data_r5m1psf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-10-26 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5m1p 
_cell.length_a      43.4530 
_cell.length_b      53.5970 
_cell.length_c      69.8520 
_cell.angle_alpha   90.0000 
_cell.angle_beta    91.7960 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97950 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.100 
_diffrn_reflns.pdbx_d_res_low    69.818 
_diffrn_reflns.limit_h_max       39 
_diffrn_reflns.limit_h_min       -39 
_diffrn_reflns.limit_k_max       48 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       63 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            129906 
_diffrn_reflns.pdbx_number_obs   129041 
# 
_entry.id   5m1p 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5m1p 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -39 0  1  o 9.474320 6.748384 -9.480554      27.43019 -9.480554      27.43019 -9.480554      27.43019 9.474320 6.748384 9.474320 6.748384 -0.000000      0.000000 
1 1 1 -39 0  2  o 15.65477 9.609377 41.65167       28.37076 41.65167       28.37076 41.65167       28.37076 15.65477 9.609377 15.65477 9.609377 0.000000       0.000000 
1 1 1 -39 0  3  o 9.069009 6.487587 -13.43393      26.43160 -13.43393      26.43160 -13.43393      26.43160 9.069009 6.487587 9.069009 6.487587 -0.000000      0.000000 
1 1 1 -39 0  4  o 19.83690 10.78690 62.11736       29.55728 62.11736       29.55728 62.11736       29.55728 19.83690 10.78690 19.83690 10.78690 -0.000000      0.000000 
1 1 1 -39 0  5  o 8.584366 6.196892 -21.34562      26.64036 -21.34562      26.64036 -21.34562      26.64036 8.584366 6.196892 8.584366 6.196892 -0.000000      0.000000 
1 1 1 -39 0  6  f 10.14848 7.125966 0.4221442E-01  27.13578 0.4221442E-01  27.13578 0.4221442E-01  27.13578 10.14848 7.125966 10.14848 7.125966 0.000000       0.000000 
1 1 1 -39 0  7  o 9.316993 6.642585 -9.939816      26.81370 -9.939816      26.81370 -9.939816      26.81370 9.316993 6.642585 9.316993 6.642585 0.000000       0.000000 
1 1 1 -39 0  8  o 10.45496 7.315187 3.111303       27.86018 3.111303       27.86018 3.111303       27.86018 10.45496 7.315187 10.45496 7.315187 -0.000000      0.000000 
1 1 1 -39 0  9  o 12.93746 8.621891 26.07884       29.58314 26.07884       29.58314 26.07884       29.58314 12.93746 8.621891 12.93746 8.621891 -0.000000      0.000000 
1 1 1 -39 0  10 o 12.87777 8.590285 25.50424       29.48729 25.50424       29.48729 25.50424       29.48729 12.87777 8.590285 12.87777 8.590285 0.000000       0.000000 
1 1 1 -39 0  11 o 8.536964 6.179368 -23.05750      27.39002 -23.05750      27.39002 -23.05750      27.39002 8.536964 6.179368 8.536964 6.179368 0.000000       0.000000 
1 1 1 -39 0  12 o 11.43276 8.042035 12.40000       35.03278 12.40000       35.03278 12.40000       35.03278 11.43276 8.042035 11.43276 8.042035 0.000000       0.000000 
1 1 1 -39 1  1  o 19.32177 7.502213 44.25560       20.31152 32.64352       28.88147 55.61913       28.57069 15.38544 7.273266 18.30186 8.094002 -2.916414      10.88179 
1 1 1 -39 1  2  o 15.58683 6.852648 26.88946       20.19585 38.13868       29.65788 17.16279       27.57789 15.87719 7.463996 13.95673 6.733463 1.920456       10.05240 
1 1 1 -39 1  3  o 18.07242 7.337222 39.10032       20.27554 81.85744       30.06830 3.446826       27.45716 22.05777 8.942477 12.83765 6.307356 9.220116       10.94306 
1 1 1 -39 1  4  o 16.30229 6.992778 30.58545       19.98533 40.27432       28.81423 21.60344       27.74323 16.19114 7.527569 14.33510 6.874016 1.856036       10.19394 
1 1 1 -39 1  5  o 21.93728 7.763069 55.38459       20.82811 52.30088       29.56841 58.42160       29.34368 17.47511 7.938151 18.37640 8.160853 -0.9012890     11.38480 
1 1 1 -39 1  6  o 27.12312 7.703438 74.16224       21.40568 45.38621       30.04480 103.8263       30.50485 16.48663 7.672282 26.16391 9.380305 -9.677286      12.11833 
1 1 1 -39 1  7  o 13.71453 6.346248 15.99780       20.11816 -11.86540      27.70625 47.07378       29.26003 11.77241 5.877811 16.76420 7.720249 -4.991788      9.703139 
1 1 1 -39 1  8  o 12.58325 5.978479 7.291811       19.99082 0.7531884      27.80862 14.28444       28.75785 12.58105 6.213030 13.60937 6.637218 -1.028316      9.091447 
1 1 1 -39 1  9  o 13.23372 6.198378 12.36599       20.13135 18.55429       28.27363 6.002706       28.67058 13.96617 6.757477 13.00342 6.399913 0.9627514      9.307115 
1 1 1 -39 1  10 o 10.61454 5.246261 -12.99694      19.97416 -0.2996410     28.48195 -25.28498      28.01919 12.57476 6.224076 11.11302 5.598226 1.461740       8.371336 
1 1 1 -39 1  11 o 12.05469 5.791118 3.444618       19.89536 5.815335       27.96678 1.015540       28.30892 12.84446 6.321524 12.53626 6.205040 0.3082066      8.858002 
1 1 1 -39 2  1  o 17.20651 7.634694 43.26977       25.62634 13.42096       29.43278 136.8000       52.10073 13.64741 6.668537 19.25725 9.281796 -5.609840      11.42896 
1 1 1 -39 2  2  o 13.02767 6.098000 10.53608       19.43281 -30.18453      27.60444 50.54301       27.36146 10.86173 5.482175 17.85916 7.908432 -6.997425      9.622762 
1 1 1 -39 2  3  o 12.02612 5.769291 2.278394       19.58966 -12.66939      28.77073 15.19795       26.74768 11.90145 5.949454 13.74389 6.630915 -1.842439      8.908706 
1 1 1 -39 2  4  o 12.37445 5.884939 5.520901       19.46344 6.703834       27.99722 4.414472       27.07677 13.07230 6.411765 12.85149 6.303875 0.2208099      8.991639 
1 1 1 -39 2  5  o 13.79857 6.368038 16.27714       20.05918 -8.690444      28.63898 40.32154       28.10452 12.08470 6.024639 16.23037 7.507063 -4.145667      9.625605 
1 1 1 -39 2  6  o 15.73531 6.946864 29.10534       20.95855 27.80009       29.27239 30.47826       30.02153 14.75113 7.070177 14.95032 7.164167 -0.1991901     10.06542 
1 1 1 -39 2  7  o 17.34657 7.257594 37.14160       20.64682 34.29463       29.05024 40.04764       29.35009 15.37772 7.277030 15.94696 7.474022 -0.5692396     10.43150 
1 1 1 -39 2  8  o 12.19776 5.851577 3.771200       20.15132 17.46799       28.48404 -9.952980      28.51251 13.86610 6.726459 11.97123 5.974852 1.894864       8.996894 
1 1 1 -39 2  9  o 9.893086 4.932763 -20.48581      19.22856 -28.19273      26.54879 -11.98228      27.88713 10.75967 5.423908 11.79770 5.891442 -1.038026      8.007987 
1 1 1 -39 2  10 o 12.19501 5.828498 4.393957       19.58938 -4.172284      27.19148 13.63731       28.24572 12.18771 6.041157 13.53071 6.594204 -1.342993      8.943103 
1 1 1 -39 2  11 o 12.46974 6.014075 5.972441       21.95629 15.72890       28.31393 -8.744000      34.77407 13.56330 6.608327 12.38756 6.239815 1.175741       9.088744 
1 1 1 -39 3  1  o 14.13322 6.414570 18.29345       19.25654 26.60694       28.06033 10.89306       26.47454 14.75481 7.030809 13.32778 6.469872 1.427030       9.554660 
1 1 1 -39 3  2  o 12.43491 5.903039 6.159091       19.40881 21.41216       28.42008 -7.172411      26.56967 14.25671 6.867466 11.98382 5.945580 2.272889       9.083612 
1 1 1 -39 3  3  o 12.12094 5.799394 3.454677       19.50788 10.36411       28.67761 -2.496317      26.61439 13.34894 6.535340 12.29708 6.073789 1.051863       8.921971 
1 1 1 -39 3  4  o 12.81352 6.043534 9.163754       19.73075 26.07500       29.09832 -5.229447      26.84471 14.62361 7.019589 12.12008 6.006733 2.503532       9.238803 
1 1 1 -39 3  5  f 11.93630 5.755976 1.402483       20.09483 -0.1214275     28.32340 2.947008       28.51432 12.55804 6.214169 12.77518 6.305624 -0.2171383     8.853066 
1 1 1 -39 3  6  o 16.45633 7.098246 32.97760       20.81203 41.53238       29.78953 24.82083       29.08831 16.04219 7.522209 14.47291 6.965544 1.569285       10.25195 
1 1 1 -39 3  7  o 18.86583 7.544571 44.67812       21.08799 34.28792       29.77490 55.13563       29.87119 15.31295 7.281365 17.64432 8.000635 -2.331376      10.81797 
1 1 1 -39 3  8  o 13.37005 6.226946 13.46567       19.85398 9.947433       28.18386 16.93143       27.97288 13.26690 6.491728 13.82356 6.696360 -0.5566683     9.326509 
1 1 1 -39 3  9  o 12.75437 6.023281 8.770046       19.71318 2.525434       27.46321 15.40733       28.31351 12.69292 6.250325 13.70763 6.662681 -1.014709      9.135529 
1 1 1 -39 3  10 o 13.65785 6.318165 16.12711       19.91886 39.95794       27.80393 -8.999659      28.54992 16.03802 7.435068 11.95931 5.970432 4.078710       9.535528 
1 1 1 -39 3  11 o 11.61936 5.742496 -5.823959      23.91679 9.887000       33.33049 -22.50000      34.33894 13.20724 6.570450 11.74941 5.951334 1.457832       8.865054 
1 1 1 -39 4  1  o 9.941312 4.952123 -19.62756      19.18807 -30.39112      28.18615 -10.33093      26.19515 10.88179 5.497969 11.70572 5.823690 -0.8239365     8.008934 
1 1 1 -39 4  2  o 16.99009 7.135573 34.63238       20.07512 -8.319760      28.91706 74.59248       27.89170 12.09724 6.034509 21.68308 8.674845 -9.585841      10.56732 
1 1 1 -39 4  3  o 13.75143 6.351343 16.25053       20.01173 -8.928780      29.13293 38.74545       27.53623 12.07964 6.030593 16.05780 7.428488 -3.978163      9.568202 
1 1 1 -39 4  4  o 16.22417 7.014788 31.30808       20.42102 28.69374       29.22900 33.80106       28.54261 14.81629 7.091648 15.37305 7.256252 -0.5567598     10.14616 
1 1 1 -39 4  5  o 14.22382 6.505569 19.50606       20.29683 25.50521       28.73736 13.53466       28.67085 14.54934 6.981836 13.54233 6.609478 1.007011       9.614117 
1 1 1 -39 4  6  o 25.55321 7.983706 71.82259       22.15679 85.14114       32.01954 59.58593       30.69150 21.22311 8.967929 17.99689 8.140155 3.226223       12.11139 
1 1 1 -39 4  7  o 12.88174 6.087410 9.632243       20.19632 19.65511       29.03343 0.2350441      28.11264 14.04318 6.807335 12.56859 6.214229 1.474594       9.217182 
1 1 1 -39 4  8  o 13.18580 6.183854 12.00673       20.14628 15.54004       28.14956 8.296568       28.84548 13.71151 6.659685 13.17212 6.470316 0.5393877      9.285278 
1 1 1 -39 4  9  o 14.42589 6.559499 21.22162       20.25159 4.165507       28.25827 39.23171       29.03778 12.78218 6.303060 15.80516 7.416040 -3.022981      9.732739 
1 1 1 -39 4  10 o 14.00289 6.516578 19.54967       21.67681 18.78537       27.60034 20.78000       35.01844 13.79125 6.673733 13.86220 6.868437 -0.7094669E-01 9.576750 
1 1 1 -39 5  1  o 12.54345 5.940364 7.287543       19.42918 -21.14321      28.51454 31.92660       26.54509 11.37162 5.717851 15.39026 7.178614 -4.018638      9.177490 
1 1 1 -39 5  2  o 12.60537 5.988400 7.434947       20.04741 38.72852       29.40997 -19.72611      27.39935 15.80730 7.431641 11.30537 5.673621 4.501929       9.349826 
1 1 1 -39 5  3  o 15.38080 6.810464 26.55153       20.28778 18.31620       29.26131 34.17497       28.15326 13.92910 6.771004 15.46206 7.269891 -1.532961      9.934677 
1 1 1 -39 5  4  f 13.13146 6.169658 11.62984       20.21291 -10.42511      29.16548 32.01335       28.03855 12.00319 5.998772 15.24241 7.193769 -3.239219      9.366727 
1 1 1 -39 5  5  o 12.11831 5.824472 3.036708       20.18049 -33.68207      29.16898 36.74859       27.94915 10.86784 5.502596 15.77250 7.359925 -4.904656      9.189508 
1 1 1 -39 5  6  o 15.82135 6.917531 29.01201       20.32745 45.17010       29.16257 13.74250       28.34938 16.56811 7.657557 13.56140 6.608526 3.006707       10.11488 
1 1 1 -39 5  7  o 14.83899 6.677700 23.42099       20.35182 16.75164       28.72711 30.14138       28.83685 13.80096 6.708761 14.98481 7.136762 -1.183853      9.794940 
1 1 1 -39 5  8  o 19.75123 7.638823 48.77375       20.99551 45.41112       29.77734 52.09817       29.60765 16.33438 7.613703 17.15804 7.851257 -0.8236599     10.93667 
1 1 1 -39 5  9  o 12.62962 6.059571 7.994582       21.62573 8.533831       27.96242 7.192000       34.11341 12.97593 6.373253 13.09353 6.535052 -0.1175966     9.128267 
1 1 1 -39 6  1  o 16.00672 6.952895 29.85562       20.25160 31.83999       29.45709 28.07708       27.88750 15.12250 7.205359 14.86435 7.061966 0.2581453      10.08903 
1 1 1 -39 6  2  o 13.96423 6.431777 17.66769       20.31913 5.372966       29.40564 28.90234       28.10936 12.99212 6.410956 14.92651 7.091065 -1.934387      9.559475 
1 1 1 -39 6  3  o 20.63315 7.729702 51.67284       21.07310 92.52050       30.74044 15.45909       28.94431 23.41043 9.188854 13.70724 6.679131 9.703188       11.35983 
1 1 1 -39 6  4  o 15.67058 6.881230 28.16093       20.30910 20.75085       29.22638 35.08012       28.24172 14.13267 6.845777 15.55665 7.303947 -1.423974      10.01061 
1 1 1 -39 6  5  o 18.83214 7.507151 44.18190       20.81273 47.07610       30.02249 41.50414       28.87815 16.58464 7.701385 16.14376 7.515798 0.4408817      10.76097 
1 1 1 -39 6  6  o 16.45953 7.084500 33.33247       20.64630 18.40127       29.55706 47.56007       28.85225 13.84094 6.745427 16.77496 7.703630 -2.934028      10.23947 
1 1 1 -39 6  7  o 18.09656 7.420355 42.26375       20.98949 23.35970       29.65398 61.24358       29.71336 14.14842 6.863367 18.20688 8.140516 -4.058460      10.64771 
1 1 1 -39 6  8  o 14.50056 6.839402 25.63074       25.27247 66.56000       36.71365 -11.23000      34.84117 16.89405 8.047929 12.22711 6.169807 4.666936       10.14079 
1 1 1 -39 7  1  o 12.35180 5.890059 6.330340       19.76796 31.43373       28.09091 -18.29694      27.82326 15.00254 7.116032 11.34404 5.696382 3.658499       9.115190 
1 1 1 -39 7  2  o 11.95403 5.756546 2.588443       19.93387 -0.7860243     28.33618 5.894510       28.04753 12.40630 6.152557 12.83746 6.320525 -0.4311666     8.820601 
1 1 1 -39 7  3  o 16.80875 7.163481 35.60749       20.72869 28.31428       29.88373 42.37059       28.77716 14.57509 7.026175 16.08210 7.492308 -1.507003      10.27141 
1 1 1 -39 7  4  o 24.06020 7.884623 65.89478       21.41799 41.91781       30.26487 89.95032       30.31441 15.77154 7.452675 22.68771 9.054822 -6.916174      11.72741 
1 1 1 -39 7  5  o 12.09294 5.863126 2.809245       21.56536 -0.7110116     28.63264 7.424000       32.78299 12.37649 6.145822 13.05309 6.497448 -0.6766005     8.943599 
1 1 1 -39 7  6  o 15.56560 7.185257 34.96306       25.56025 27.69000       37.73375 41.13000       34.74609 14.13139 7.023665 15.12317 7.357568 -0.9917841     10.17181 
1 1 1 -38 0  1  o 21.46400 10.85466 58.77390       28.31738 58.77390       28.31738 58.77390       28.31738 21.46400 10.85466 21.46400 10.85466 0.000000       0.000000 
1 1 1 -38 0  2  o 13.96882 8.891556 25.16837       26.70971 25.16837       26.70971 25.16837       26.70971 13.96882 8.891556 13.96882 8.891556 -0.000000      0.000000 
1 1 1 -38 0  3  o 14.35590 9.042637 27.45384       26.80949 27.45384       26.80949 27.45384       26.80949 14.35590 9.042637 14.35590 9.042637 0.000000       0.000000 
1 1 1 -38 0  4  o 13.54668 8.757537 22.84165       27.20615 22.84165       27.20615 22.84165       27.20615 13.54668 8.757537 13.54668 8.757537 -0.000000      0.000000 
1 1 1 -38 0  5  o 17.87398 10.24613 45.93562       28.43741 45.93562       28.43741 45.93562       28.43741 17.87398 10.24613 17.87398 10.24613 -0.000000      0.000000 
1 1 1 -38 0  6  o 18.30496 10.37898 48.27274       28.73610 48.27274       28.73610 48.27274       28.73610 18.30496 10.37898 18.30496 10.37898 0.000000       0.000000 
1 1 1 -38 0  7  f 17.59699 10.31151 46.76852       29.80908 46.76852       29.80908 46.76852       29.80908 17.59699 10.31151 17.59699 10.31151 -0.000000      0.000000 
1 1 1 -38 0  8  o 16.02117 9.760300 38.27645       28.77812 38.27645       28.77812 38.27645       28.77812 16.02117 9.760300 16.02117 9.760300 0.000000       0.000000 
1 1 1 -38 0  9  o 18.47902 10.50245 50.59513       29.51844 50.59513       29.51844 50.59513       29.51844 18.47902 10.50245 18.47902 10.50245 0.000000       0.000000 
1 1 1 -38 0  10 o 17.76390 10.30083 47.37595       29.24527 47.37595       29.24527 47.37595       29.24527 17.76390 10.30083 17.76390 10.30083 0.000000       0.000000 
1 1 1 -38 0  11 o 12.89918 8.541704 19.67618       28.27309 19.67618       28.27309 19.67618       28.27309 12.89918 8.541704 12.89918 8.541704 -0.000000      0.000000 
1 1 1 -38 0  12 o 11.30595 7.752472 7.090077       27.51737 7.090077       27.51737 7.090077       27.51737 11.30595 7.752472 11.30595 7.752472 -0.000000      0.000000 
1 1 1 -38 0  13 o 12.46499 8.308451 17.19866       27.49155 17.19866       27.49155 17.19866       27.49155 12.46499 8.308451 12.46499 8.308451 -0.000000      0.000000 
1 1 1 -38 0  14 o 13.04140 8.564518 21.87352       27.51531 21.87352       27.51531 21.87352       27.51531 13.04140 8.564518 13.04140 8.564518 -0.000000      0.000000 
1 1 1 -38 0  15 o 10.38893 7.273400 -1.289272      27.66365 -1.289272      27.66365 -1.289272      27.66365 10.38893 7.273400 10.38893 7.273400 -0.000000      0.000000 
1 1 1 -38 0  16 o 10.12192 7.173473 -6.648626      29.62784 -6.648626      29.62784 -6.648626      29.62784 10.12192 7.173473 10.12192 7.173473 -0.000000      0.000000 
1 1 1 -38 0  17 o 9.244130 6.637294 -17.43959      28.74717 -17.43959      28.74717 -17.43959      28.74717 9.244130 6.637294 9.244130 6.637294 0.000000       0.000000 
1 1 1 -38 0  18 o 11.42378 8.091752 3.780000       37.52500 3.780000       37.52500 3.780000       37.52500 11.42378 8.091752 11.42378 8.091752 0.000000       0.000000 
1 1 1 -38 0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -38 1  1  o 13.63525 6.277271 8.793125       19.32230 44.40834       28.62439 -21.02044      26.18939 18.55465 8.157800 11.79549 5.860774 6.759160       10.04482 
1 1 1 -38 1  2  o 10.88420 5.302063 -11.96507      18.20399 -22.60679      26.34718 -2.244500      25.18106 11.72166 5.833088 13.06316 6.334015 -1.341504      8.610730 
1 1 1 -38 1  3  o 14.19308 6.395173 12.64208       18.73381 13.32815       26.75336 11.98202       26.24128 14.69338 6.962110 14.52807 6.887118 0.1653090      9.793026 
1 1 1 -38 1  4  o 27.28090 7.402368 64.13212       20.26586 56.01647       28.88535 71.99963       28.44032 20.34804 8.553410 23.75621 8.962624 -3.408171      12.38909 
1 1 1 -38 1  5  o 30.71813 7.127858 76.70828       21.01703 67.07400       29.62301 86.47319       29.82314 22.07067 8.901738 26.16904 9.286570 -4.098372      12.86395 
1 1 1 -38 1  6  o 16.01929 6.913547 23.02101       19.76434 16.49294       27.05428 30.49250       28.94324 14.96241 7.063063 16.50874 7.629619 -1.546329      10.39702 
1 1 1 -38 1  7  o 18.78489 7.408175 35.90301       20.06337 68.56973       28.56904 4.113830       28.18270 22.72299 8.876211 13.81450 6.698926 8.908497       11.12037 
1 1 1 -38 1  8  o 19.30734 7.489852 38.34069       20.23066 21.50281       28.42537 55.62440       28.79924 15.43877 7.273193 20.07898 8.495731 -4.640212      11.18377 
1 1 1 -38 1  9  o 24.90407 7.745245 59.11849       20.87869 44.36379       29.52436 73.87831       29.52949 18.09171 8.099933 23.19735 9.034876 -5.105644      12.13416 
1 1 1 -38 1  10 o 21.36191 7.740652 47.39241       20.83875 57.40670       29.47645 37.38628       29.46444 20.03457 8.540411 17.12275 7.834029 2.911821       11.58925 
1 1 1 -38 1  11 o 12.66321 5.981848 2.892114       19.46727 12.77392       27.45422 -7.100820      27.60817 14.41652 6.892907 12.77408 6.285706 1.642440       9.328573 
1 1 1 -38 1  12 o 17.18808 7.162169 30.13406       19.98701 10.69407       27.97818 50.39480       28.56269 14.17391 6.824106 18.92992 8.239566 -4.756009      10.69854 
1 1 1 -38 1  13 o 11.96328 5.720700 -1.520021      18.92381 -15.91034      26.98315 12.40862       26.54679 12.00545 5.962354 14.21639 6.791985 -2.210938      9.037739 
1 1 1 -38 1  14 o 18.33979 7.446049 37.18195       20.88237 28.03096       28.22701 48.24545       31.03681 15.74965 7.364724 17.81929 8.109487 -2.069634      10.95459 
1 1 1 -38 1  15 o 15.99488 6.964080 25.92463       20.41671 15.43883       28.02923 37.77652       29.79917 14.37250 6.896529 16.61098 7.699484 -2.238481      10.33654 
1 1 1 -38 1  16 o 12.22538 5.855982 0.7973693      20.01344 4.267224       27.56208 -3.072553      29.10767 13.29636 6.487458 12.88260 6.360931 0.4137516      9.085624 
1 1 1 -38 1  17 o 14.63890 6.783547 19.82294       23.10743 -0.3776333E-02 29.31760 52.34000       37.54558 13.02121 6.420774 16.77944 8.032948 -3.758228      10.28370 
1 1 1 -38 1  18 o 15.23259 7.048788 24.71065       24.81986 47.00000       46.46422 15.81129       29.35955 15.78568 7.837077 14.24205 6.889770 1.543631       10.43497 
1 1 1 -38 1  19 o 14.39603 6.869707 19.79104       26.98950 3.990000       38.18227 35.57000       38.15557 13.54495 6.783235 15.27082 7.489085 -1.725873      10.10439 
1 1 1 -38 2  1  o 20.62843 7.560346 42.23814       19.96029 25.73418       29.15331 56.80151       27.38576 16.02563 7.490776 21.02518 8.530452 -4.999546      11.35255 
1 1 1 -38 2  2  o 17.81604 7.256234 31.20845       19.90518 16.39749       29.43128 43.69471       27.02301 15.06573 7.184971 18.72504 8.082658 -3.659310      10.81449 
1 1 1 -38 2  3  o 32.17096 6.873157 81.07838       20.98618 68.08618       30.16706 93.26243       29.21377 22.06614 8.953024 28.39087 9.201970 -6.324728      12.83873 
1 1 1 -38 2  4  o 12.36462 5.855268 0.2319516      18.87029 6.974795       26.81060 -6.387589      26.56434 14.02419 6.733460 12.85440 6.292533 1.169782       9.216043 
1 1 1 -38 2  5  o 15.63387 6.804043 20.89664       19.47192 14.13219       27.16912 28.04074       27.92117 14.72703 6.989115 16.28601 7.514938 -1.558982      10.26265 
1 1 1 -38 2  6  o 22.83609 7.729936 51.30523       20.55307 34.30769       28.79682 68.95455       29.34375 16.96055 7.754129 22.45011 8.925541 -5.489559      11.82336 
1 1 1 -38 2  7  o 19.82253 7.558509 40.44357       20.35696 26.62383       28.33796 55.17976       29.26248 16.02404 7.455036 19.88448 8.493839 -3.860443      11.30145 
1 1 1 -38 2  8  o 13.09488 6.097878 6.070401       19.02822 -0.4826309     26.69958 12.83412       27.12540 13.26273 6.451801 14.50862 6.913270 -1.245887      9.456164 
1 1 1 -38 2  9  o 12.58588 5.939019 2.364994       19.09604 7.032026       26.85435 -2.408877      27.15999 13.90684 6.693010 13.12924 6.413307 0.7775946      9.269675 
1 1 1 -38 2  10 o 13.96864 6.400670 11.93768       19.76857 25.68029       28.35673 -1.056430      27.57368 15.79820 7.385533 13.24903 6.469686 2.549178       9.818500 
1 1 1 -38 2  11 o 11.93987 5.721875 -2.635979      19.15614 -4.096543      27.17334 -1.193010      27.00916 12.93097 6.337140 13.13974 6.413446 -0.2087631     9.016188 
1 1 1 -38 2  12 o 12.42049 5.904328 1.291830       19.55033 6.566474       27.36287 -4.208823      27.94294 13.75712 6.654257 12.95014 6.362681 0.8069782      9.206675 
1 1 1 -38 2  13 o 13.78923 6.379988 11.51823       20.32288 2.069411       27.45761 22.96599       30.22276 13.33236 6.498432 15.24596 7.273701 -1.913594      9.753786 
1 1 1 -38 2  14 o 14.44950 6.576206 16.47587       20.41282 0.8828499      28.04796 34.03604       29.76464 13.21430 6.468111 16.28416 7.597530 -3.069861      9.977922 
1 1 1 -38 2  15 f 11.84755 5.728942 -3.553931      20.24523 -3.519630      27.76518 -3.592871      29.58340 12.79416 6.297146 12.95484 6.399585 -0.1606731     8.978237 
1 1 1 -38 2  16 o 10.59843 5.251046 -17.61801      20.45838 15.31315       28.53522 -52.44923      29.34689 14.24138 6.865432 10.41887 5.300226 3.822515       8.673324 
1 1 1 -38 2  17 o 14.33882 6.547274 17.36011       20.44648 17.99546       28.83566 16.71765       28.99639 14.39865 6.931185 14.28779 6.895978 0.1108589      9.777312 
1 1 1 -38 2  18 o 11.14578 5.450865 -9.125942      19.79050 -17.02646      27.51459 -0.6572895     28.48671 11.78043 5.878022 12.93594 6.369165 -1.155502      8.667030 
1 1 1 -38 2  19 o 13.14048 6.412348 5.988661       26.95597 8.728000       39.33463 3.563000       37.01411 13.77079 6.894658 13.45639 6.729968 0.3144035      9.634769 
1 1 1 -38 3  1  o 31.23109 7.186869 79.76702       21.51362 56.75991       31.39020 100.1466       29.54341 19.67248 8.598890 29.82862 9.202689 -10.15615      12.59486 
1 1 1 -38 3  2  f 18.94281 7.404053 36.03068       19.88818 19.69881       29.14013 50.27185       27.21111 15.34289 7.268739 19.76495 8.304668 -4.422059      11.03640 
1 1 1 -38 3  3  o 18.97534 7.439220 36.50247       20.12819 63.42230       29.55669 13.22077       27.48698 21.35805 8.786726 14.64779 6.973847 6.710261       11.21789 
1 1 1 -38 3  4  o 23.31737 7.745102 52.98859       20.64318 35.00829       29.36292 70.56069       29.02770 17.01584 7.798376 22.97568 8.955151 -5.959835      11.87474 
1 1 1 -38 3  5  o 19.33491 7.465554 37.99762       20.02973 46.36295       28.51277 29.84760       28.14346 18.69065 8.181906 16.44609 7.572943 2.244556       11.14868 
1 1 1 -38 3  6  o 18.10390 7.292823 32.94325       19.85573 25.34619       28.14939 40.46613       28.01162 15.88352 7.403252 17.86176 7.950438 -1.978239      10.86359 
1 1 1 -38 3  7  o 19.21971 7.448402 37.73298       19.99218 51.14411       28.44399 24.63916       28.10548 19.40143 8.332590 15.77685 7.368067 3.624579       11.12297 
1 1 1 -38 3  8  o 12.28444 5.843191 -0.2481129     19.20569 -16.00576      26.88187 16.18131       27.44890 12.11946 6.007212 14.83446 7.035708 -2.714997      9.251367 
1 1 1 -38 3  9  o 14.20352 6.412027 13.61974       18.93604 2.279255       26.43480 25.57183       27.13826 13.42736 6.505675 15.84949 7.346925 -2.422132      9.813313 
1 1 1 -38 3  10 o 11.78040 5.646306 -3.367807      18.66909 -17.37414      25.78461 12.06539       27.06615 11.81676 5.861723 14.33669 6.851819 -2.519932      9.017052 
1 1 1 -38 3  11 o 14.31099 6.506475 14.59036       19.91808 25.97024       27.25063 1.536943       29.18567 15.76878 7.327555 13.51413 6.611306 2.254650       9.869267 
1 1 1 -38 3  12 o 15.13363 6.775534 20.03098       20.65859 18.78923       28.26576 21.45490       30.26824 14.89811 7.087050 15.14774 7.241168 -0.2496243     10.13217 
1 1 1 -38 3  13 o 10.50549 5.200445 -18.63382      19.90433 -4.478036      27.27793 -34.75403      29.10918 12.78118 6.281032 11.25027 5.672246 1.530909       8.463200 
1 1 1 -38 3  14 o 14.74480 6.784539 18.74397       22.53015 0.9493411      28.22734 49.98000       37.39844 13.20803 6.470001 17.00134 8.105633 -3.793305      10.37122 
1 1 1 -38 3  15 o 14.80731 6.909362 20.20227       24.62930 13.69000       45.84308 22.84467       29.20164 14.47966 7.276503 15.00329 7.155665 -0.5236378     10.20544 
1 1 1 -38 3  16 o 23.52787 7.846481 58.83701       21.18268 37.83475       29.24226 82.02533       30.72647 16.44331 7.623647 22.73145 9.101370 -6.288139      11.87244 
1 1 1 -38 3  17 o 12.82434 6.067231 6.335061       20.17061 -5.765893      27.77618 19.83609       29.33905 12.50362 6.181161 14.56530 7.006301 -2.061673      9.343180 
1 1 1 -38 3  18 o 10.03379 4.999048 -21.95781      19.58844 -10.79935      27.46779 -33.50555      27.94279 12.10649 6.013066 10.93193 5.517371 1.174558       8.160781 
1 1 1 -38 4  1  o 12.74288 5.973132 3.564632       18.75645 -12.54553      27.88736 16.87204       25.34569 12.53602 6.196506 14.94023 6.983778 -2.404215      9.336479 
1 1 1 -38 4  2  o 15.54197 6.807598 20.69512       19.76468 -0.5829601E-01 28.78986 39.19562       27.18231 13.53354 6.609097 17.83413 7.890650 -4.300586      10.29284 
1 1 1 -38 4  3  o 21.20379 7.699324 45.92598       20.63106 66.04686       30.38376 28.71250       28.10298 21.40296 8.867005 16.29699 7.526898 5.105968       11.63091 
1 1 1 -38 4  4  o 16.97111 7.117072 27.99825       19.92555 3.475762       28.41357 51.72729       27.95011 13.76755 6.687813 19.68343 8.350753 -5.915877      10.69869 
1 1 1 -38 4  5  o 13.56491 6.271935 8.877291       19.59120 34.38642       29.00564 -12.52279      26.56699 16.89252 7.745184 12.33481 6.087932 4.557716       9.851436 
1 1 1 -38 4  6  o 11.35760 5.505311 -8.296774      18.98465 -4.902280      27.29137 -11.47947      26.42623 12.97103 6.355551 12.37626 6.101453 0.5947628      8.810264 
1 1 1 -38 4  7  o 11.74962 5.652121 -4.705152      19.09842 -32.82040      27.31951 22.16818       26.70932 11.19972 5.626736 15.48644 7.215908 -4.286719      9.150382 
1 1 1 -38 4  8  o 20.49030 7.536252 42.59445       19.86123 41.31776       27.87607 43.91072       28.30489 17.88104 7.946748 18.18729 8.049177 -0.3062534     11.31106 
1 1 1 -38 4  9  o 12.97054 6.063404 5.546922       19.10998 7.729180       26.67085 3.244573       27.39487 13.90626 6.686934 13.56346 6.583604 0.3428040      9.383972 
1 1 1 -38 4  10 o 16.15477 7.001791 25.23571       20.44510 29.86204       27.32578 19.35242       30.81516 16.25975 7.478032 15.04613 7.222747 1.213619       10.39659 
1 1 1 -38 4  11 f 25.11626 7.876404 62.55446       21.54468 81.50584       29.62589 41.28165       31.38798 24.30350 9.152237 17.13093 7.927069 7.172575       12.10793 
1 1 1 -38 4  12 o 15.85705 6.958132 24.48208       20.73194 -3.037883      28.08219 57.44909       30.73597 12.99341 6.382853 19.25722 8.460465 -6.263811      10.59813 
1 1 1 -38 4  13 o 14.97186 6.859409 20.17358       22.69318 29.56657       29.16392 5.758000       36.12934 15.83826 7.431748 14.00632 6.946261 1.831941       10.17258 
1 1 1 -38 4  14 o 13.24462 6.387289 5.202797       24.75408 33.61000       45.43584 -6.788328      29.51986 15.41361 7.668633 12.74887 6.314926 2.664737       9.934093 
1 1 1 -38 4  15 o 12.02540 5.791417 -1.234311      20.18637 2.544979       27.84507 -5.420761      29.30665 13.17648 6.448562 12.74069 6.307518 0.4357891      9.020462 
1 1 1 -38 4  16 o 16.85956 7.151606 31.74358       20.49392 45.41193       28.86045 17.84101       29.10669 17.35991 7.868664 14.36556 6.927431 2.994349       10.48357 
1 1 1 -38 4  17 o 12.10939 5.816345 0.2400755      20.04839 6.823657       27.89979 -6.789059      28.82842 13.43781 6.549988 12.54134 6.217123 0.8964729      9.030779 
1 1 1 -38 4  18 o 16.45065 7.092506 30.74743       20.75965 6.644392       28.85080 56.62531       29.89415 13.33680 6.534737 18.43109 8.207969 -5.094293      10.49159 
1 1 1 -38 5  1  o 18.70696 7.357263 35.39564       19.74074 22.25480       28.82089 47.00916       27.09428 15.50153 7.309159 19.05796 8.157735 -3.556430      10.95319 
1 1 1 -38 5  2  o 15.49275 6.808681 20.68681       19.92003 11.80468       29.00824 28.61290       27.40264 14.49152 6.969755 16.28175 7.488292 -1.790226      10.22996 
1 1 1 -38 5  3  o 12.03262 5.768456 -2.970114      19.50929 2.010536       28.61697 -7.295043      26.66676 13.63839 6.644619 12.71652 6.241394 0.9218721      9.116247 
1 1 1 -38 5  4  o 15.91158 6.901747 22.99567       19.89647 34.10431       29.18113 13.34487       27.19903 16.80270 7.727736 14.54831 6.929506 2.254386       10.37959 
1 1 1 -38 5  5  o 11.30555 5.495722 -9.327694      19.27781 3.636257       28.36036 -20.46269      26.28380 13.72681 6.671131 11.73600 5.837893 1.990806       8.864818 
1 1 1 -38 5  6  o 19.73105 7.574674 40.78574       20.53570 39.55167       30.33315 41.82996       27.90260 17.29384 7.925926 17.96415 7.968944 -0.6703053     11.23941 
1 1 1 -38 5  7  f 17.57078 7.207152 31.13359       19.80901 34.84274       27.90773 27.36732       28.12185 16.94583 7.703326 15.99707 7.437083 0.9487600      10.70754 
1 1 1 -38 5  8  o 12.85564 6.027240 4.752196       19.11471 1.187359       26.96515 8.352752       27.09991 13.34427 6.489727 13.98042 6.727178 -0.6361513     9.347271 
1 1 1 -38 5  9  o 10.55757 5.208344 -17.21236      19.36696 -20.15574      26.18059 -13.65501      28.78189 11.66796 5.807716 12.44083 6.175044 -0.7728758     8.477071 
1 1 1 -38 5  10 o 17.03823 7.173014 29.95255       20.36312 39.74002       28.16949 19.24040       29.47013 17.37946 7.835474 14.96044 7.149844 2.419021       10.60731 
1 1 1 -38 5  11 o 11.13169 5.481939 -14.31850      21.13878 -22.92037      26.36100 1.177000       35.38086 11.46787 5.726927 13.80546 6.851360 -2.337590      8.929660 
1 1 1 -38 5  12 o 17.29880 7.677385 37.96198       25.92838 65.96000       47.97497 26.40956       30.81679 17.10175 8.389180 15.45768 7.366383 1.644066       11.16432 
1 1 1 -38 5  13 o 21.13353 7.836095 50.07460       21.54862 49.95695       29.73781 50.20466       31.26847 18.18140 8.135427 17.89329 8.141813 0.2881126      11.50975 
1 1 1 -38 5  14 o 18.10406 7.419857 37.28223       20.97389 32.30410       28.58701 43.08616       30.86717 15.99380 7.456625 16.96142 7.852971 -0.9676256     10.82915 
1 1 1 -38 5  15 o 14.61944 6.654861 19.12260       20.91701 -6.103522      29.09031 46.12601       30.09764 12.62179 6.254948 17.28696 7.912397 -4.665178      10.08615 
1 1 1 -38 5  16 o 14.42948 6.595614 18.07860       20.82088 -3.126259      28.89544 40.97754       30.02751 12.76904 6.310923 16.62971 7.715336 -3.860663      9.967655 
1 1 1 -38 5  17 o 13.06067 6.173005 8.039688       20.78459 1.206914       28.99509 15.26170       29.80953 13.05812 6.428628 14.14653 6.866856 -1.088410      9.406432 
1 1 1 -38 6  1  o 11.29427 5.484272 -8.871202      19.05853 -25.61383      27.95693 5.664970       26.04970 11.68343 5.844095 13.70575 6.595143 -2.022319      8.811887 
1 1 1 -38 6  2  o 15.21708 6.736808 19.42487       19.84295 51.74976       29.27399 -8.051451      26.98937 19.18024 8.345114 12.66752 6.229647 6.512717       10.41391 
1 1 1 -38 6  3  o 13.86531 6.350799 11.33823       19.43582 -0.6428553     28.51238 21.73763       26.56376 13.37912 6.542994 15.40693 7.184644 -2.027807      9.717505 
1 1 1 -38 6  4  f 13.67737 6.315854 9.960079       19.77414 24.09536       29.07501 -2.205110      26.97286 15.60675 7.353409 13.09879 6.396862 2.507964       9.746408 
1 1 1 -38 6  5  o 16.85110 7.118119 28.19696       20.16146 8.253392       29.61244 45.43026       27.52689 14.13589 6.857584 18.54611 8.080415 -4.410216      10.59809 
1 1 1 -38 6  6  o 16.02342 6.945650 24.15932       20.12317 10.76455       28.56038 37.36460       28.35764 14.27515 6.878380 17.18264 7.792886 -2.907488      10.39429 
1 1 1 -38 6  7  o 20.39289 7.595456 43.36871       20.28823 36.59308       28.89708 49.95524       28.49100 16.97213 7.762518 18.94873 8.238698 -1.976603      11.31958 
1 1 1 -38 6  8  o 17.86752 7.382402 34.28817       20.98364 23.14563       29.26074 46.08539       30.10809 15.37287 7.283184 17.95769 8.097986 -2.584822      10.89138 
1 1 1 -38 6  9  o 14.05002 6.453139 13.16078       20.25524 -0.5112572     27.93974 28.30652       29.40702 13.19943 6.459736 15.84625 7.444078 -2.646816      9.856089 
1 1 1 -38 6  10 o 11.87675 5.775015 -6.078613      21.32750 -5.269908      26.90864 -7.445000      34.97710 12.70423 6.242249 13.29836 6.634155 -0.5941343     9.109209 
1 1 1 -38 6  11 o 14.66542 6.880932 17.92257       24.99348 -15.34000      46.32021 31.58451       29.68579 13.57490 6.879933 16.02651 7.513016 -2.451613      10.18719 
1 1 1 -38 6  12 f 13.08128 6.157016 7.092936       20.28822 33.64828       28.05077 -22.03686      29.37904 16.32204 7.531850 11.86172 5.941710 4.460321       9.593367 
1 1 1 -38 6  13 o 17.41210 7.299862 34.00069       20.95274 54.07404       28.93513 11.87107       30.38103 18.84264 8.245512 14.05711 6.848114 4.785522       10.71845 
1 1 1 -38 6  14 o 14.22535 6.510069 16.35743       20.36417 9.853225       27.79893 23.89005       29.91605 13.71243 6.650308 14.96311 7.165296 -1.250682      9.775891 
1 1 1 -38 6  15 o 10.18650 5.072609 -21.41018      20.06524 3.571213       27.24699 -51.01083      29.65930 13.10718 6.407047 10.47091 5.326862 2.636271       8.332209 
1 1 1 -38 6  16 o 11.80757 5.734941 -3.809742      20.87484 4.767194       28.24294 -14.13698      30.99102 13.28501 6.500157 12.31418 6.158623 0.9708290      8.954367 
1 1 1 -38 6  17 o 13.20654 6.355407 8.388166       24.20088 18.72179       30.01554 -10.81000      40.91191 14.26954 6.918110 13.03355 6.589674 1.235984       9.554269 
1 1 1 -38 7  1  o 18.87457 7.481623 37.77753       20.55909 39.99308       30.05310 35.82866       28.18648 17.28198 7.908771 16.98189 7.728295 0.3000908      11.05781 
1 1 1 -38 7  2  o 18.04797 7.346076 34.06947       20.38583 56.03258       29.80579 14.76444       27.94402 19.58585 8.471508 14.60781 6.976096 4.978042       10.97417 
1 1 1 -38 7  3  o 14.35376 6.518735 14.67992       19.92518 -28.55954      29.14457 52.62618       27.30247 11.66013 5.851639 19.76558 8.312592 -8.105445      10.16567 
1 1 1 -38 7  4  o 17.53684 7.211052 31.42763       19.89366 30.98442       28.84071 31.82990       27.47660 16.28850 7.558515 16.50300 7.555996 -0.2144985     10.68757 
1 1 1 -38 7  5  o 12.01279 5.754233 -2.054422      19.32551 -50.18779      28.23754 40.35494       26.50541 10.49036 5.322524 17.82393 7.842805 -7.333565      9.478336 
1 1 1 -38 7  6  o 13.02508 6.104008 6.061092       19.56832 -5.080670      28.16812 16.45364       27.20458 12.91126 6.352407 14.68313 6.975608 -1.771873      9.434627 
1 1 1 -38 7  7  o 16.38858 7.091048 27.22709       20.89783 6.494126       29.24309 48.86583       29.87504 13.83864 6.736513 18.30383 8.174728 -4.465185      10.59277 
1 1 1 -38 7  8  o 11.71648 5.693809 -6.607656      20.65171 -4.422226      28.70248 -8.953438      29.73684 12.95868 6.382858 12.76308 6.324811 0.1956024      8.985773 
1 1 1 -38 7  9  o 18.94999 7.810050 43.50162       23.40639 58.89438       30.39691 21.08000       36.68636 19.48776 8.490944 14.99000 7.349744 4.497765       11.23009 
1 1 1 -38 7  10 o 16.05556 7.081514 26.84689       21.72987 4.230648       30.62740 49.77078       30.83500 13.61956 6.685474 17.98122 8.143535 -4.361654      10.53626 
1 1 1 -38 7  11 o 12.39741 5.925197 1.523499       20.24414 0.4576697      27.82507 2.722161       29.50807 13.09978 6.418377 13.39269 6.571681 -0.2929115     9.185999 
1 1 1 -38 7  12 o 12.73741 6.033638 5.051486       20.06666 10.76176       27.73990 -1.216685      29.06343 13.85882 6.702601 13.01789 6.414111 0.8409262      9.277159 
1 1 1 -38 7  13 o 15.02657 6.738672 21.50065       20.52593 21.72461       28.52420 21.26014       29.55958 14.78348 7.056728 14.72490 7.069987 0.5857372E-01  9.989100 
1 1 1 -38 7  14 o 12.51668 5.967991 3.936469       20.28235 21.40672       27.85472 -15.77977      29.59112 14.67459 6.996050 12.05172 6.025942 2.622870       9.233456 
1 1 1 -38 7  15 o 12.36449 5.942265 1.675321       20.99429 -20.43697      27.94255 30.33849       31.81349 11.61025 5.812665 15.38569 7.373348 -3.775436      9.389001 
1 1 1 -38 7  16 o 18.23502 7.564450 41.44536       22.15307 40.11469       29.82285 43.08350       33.08951 16.36708 7.625794 16.26889 7.718602 0.9819031E-01  10.85032 
1 1 1 -38 8  1  o 14.86243 6.609108 18.24334       19.31021 24.90328       28.13790 12.31438       26.54886 15.53675 7.293309 14.21979 6.793238 1.316964       9.966968 
1 1 1 -38 8  2  o 11.06194 5.395136 -10.27447      19.00869 -15.24882      27.80612 -5.910301      26.04492 12.16699 6.044276 12.58904 6.176661 -0.4220543     8.642015 
1 1 1 -38 8  3  o 14.40813 6.523773 15.60349       19.77462 44.64088       28.69581 -10.65528      27.28833 17.94021 8.012089 12.39545 6.127494 5.544765       10.08661 
1 1 1 -38 8  4  o 29.67669 7.382949 76.55895       21.35852 116.4495       31.29639 41.78292       29.22128 31.30816 9.435166 17.43781 7.909428 13.87034       12.31184 
1 1 1 -38 8  5  o 24.10706 7.834210 58.68781       21.16672 49.67835       30.10106 67.50031       29.77021 18.31026 8.189613 21.26220 8.789899 -2.951941      12.01383 
1 1 1 -38 8  6  o 11.29174 5.517985 -10.06344      20.16593 -18.92939      28.17227 -0.7472597     28.87872 11.95501 5.962413 13.21745 6.488841 -1.262441      8.812232 
1 1 1 -38 8  7  o 17.17513 7.441683 34.00362       23.07994 16.62926       29.39544 61.93000       37.26773 14.59726 7.019455 18.21399 8.499054 -3.616732      11.02301 
1 1 1 -38 8  8  o 13.25288 6.393499 4.721122       24.85427 -9.002000      45.71570 10.47938       29.61314 13.73589 6.947207 14.03505 6.820002 -0.2991590     9.735302 
1 1 1 -38 8  9  f 14.08197 6.504344 14.32317       20.99142 60.80270       29.86121 -31.08342      29.51454 19.74945 8.510481 11.41783 5.750992 8.331627       10.27143 
1 1 1 -38 8  10 o 12.36336 5.931591 0.9187701      20.71736 -10.60110      28.94135 13.02581       29.66976 12.41965 6.169223 14.14378 6.862071 -1.724135      9.227531 
1 1 1 -38 8  11 o 12.82362 6.093693 5.366793       20.78584 11.04995       29.31751 -0.3773307     29.47436 13.90696 6.764176 13.07649 6.446105 0.8304682      9.343787 
1 1 1 -38 8  12 o 11.62827 5.647116 -4.677347      20.22270 -19.53980      27.89765 11.78018       29.35651 11.67130 5.838008 13.89055 6.759022 -2.219253      8.931222 
1 1 1 -38 8  13 o 12.39387 5.943019 2.445160       20.73463 27.79250       29.00859 -24.03236      29.64825 15.25320 7.233879 11.62040 5.841264 3.632798       9.297814 
1 1 1 -38 8  14 o 20.67232 7.877003 51.14571       22.09880 31.77829       29.83157 74.69907       32.89779 15.62730 7.388897 20.24896 8.827799 -4.621663      11.51199 
1 1 1 -38 8  15 o 16.52107 7.169428 31.86960       21.49008 45.54043       28.73673 14.52366       32.36971 17.20217 7.818699 14.01095 6.876666 3.191216       10.41252 
1 1 1 -38 9  1  f 15.66948 6.809122 23.22244       19.43878 24.28568       28.33367 22.27697       26.71855 15.33074 7.234262 15.15628 7.112254 0.1744604      10.14489 
1 1 1 -38 9  2  o 12.54421 5.923388 3.583723       19.05518 -3.467183      27.05825 10.52096       26.83926 12.80501 6.285273 13.95398 6.709399 -1.148974      9.193514 
1 1 1 -38 9  3  o 11.30783 5.484774 -7.008893      18.92355 -19.38563      27.03169 4.885851       26.50011 11.72912 5.848284 13.41991 6.504820 -1.690788      8.747292 
1 1 1 -38 9  4  o 10.64938 5.244812 -15.01620      19.36158 -29.20106      27.69316 -1.452579      27.07994 11.27110 5.662935 12.93933 6.338121 -1.668231      8.499448 
1 1 1 -38 9  5  o 12.73500 6.063202 3.664068       20.77785 -0.9289025     28.93503 8.553804       29.85519 13.12478 6.453680 13.88347 6.769077 -0.7586908     9.352561 
1 1 1 -38 9  6  o 13.01053 6.231977 4.533605       22.66413 -9.756757      29.31687 25.76000       35.73009 12.55704 6.232627 15.19158 7.406497 -2.634540      9.679971 
1 1 1 -38 9  7  o 12.27302 5.905407 -0.3278673     20.87939 -9.007112      29.75505 8.091335       29.30591 12.62480 6.268443 13.76866 6.711644 -1.143857      9.183656 
1 1 1 -38 9  8  o 13.81856 6.416205 12.88939       20.82974 2.951710       29.25422 23.10844       29.66548 13.33987 6.545273 15.00515 7.171834 -1.665277      9.709574 
1 1 1 -38 9  9  o 11.30253 5.531282 -9.125728      20.48205 -10.13746      28.51979 -8.048103      29.43383 12.35467 6.134767 12.57760 6.243210 -0.2229242     8.752888 
1 1 1 -38 9  10 o 15.64533 6.929698 25.48487       21.02000 47.23229       29.71903 3.714778       29.73451 17.49641 7.951954 13.32551 6.550370 4.170894       10.30247 
1 1 1 -38 9  11 o 18.05666 7.448417 38.68391       21.31388 19.21730       29.64641 59.50994       30.66409 14.44792 6.973162 18.79135 8.343939 -4.343431      10.87411 
1 1 1 -38 9  12 o 13.86717 6.450357 14.43068       21.19909 -19.17692      28.61406 55.32075       31.56238 11.73905 5.877871 17.97658 8.179819 -6.237525      10.07268 
1 1 1 -38 9  13 o 15.44974 6.953027 25.40261       22.06902 2.043266       29.91330 53.30349       32.69211 13.16062 6.488786 17.53146 8.104542 -4.370837      10.38210 
1 1 1 -38 9  14 o 16.15711 7.289069 33.04990       24.42293 13.49542       29.86746 72.51000       42.42816 13.84556 6.754962 17.31139 8.351917 -3.465830      10.74170 
1 1 1 -38 10 1  o 12.49767 5.914301 3.736555       19.19136 2.018356       27.55346 5.355514       26.74591 13.16470 6.436833 13.37542 6.495307 -0.2107201     9.144498 
1 1 1 -38 10 2  o 12.73634 5.991523 5.627379       19.16770 30.14663       27.34689 -18.05078      26.87375 15.88482 7.367387 11.71291 5.838768 4.171916       9.400511 
1 1 1 -38 10 3  o 12.00590 5.766649 -1.037641      19.70754 -15.36118      28.19299 12.64909       27.55915 12.04307 5.999665 14.04620 6.765200 -2.003128      9.042340 
1 1 1 -38 10 4  o 13.80767 6.477769 12.42679       22.14006 8.669889       27.97874 18.72000       36.21171 13.70350 6.652002 14.62462 7.196784 -0.9211149     9.800144 
1 1 1 -38 10 5  o 11.84632 5.844908 -10.39186      24.41871 -45.82000      44.92296 4.465982       29.09190 12.41602 6.337867 13.41551 6.570947 -0.9994841     9.129397 
1 1 1 -38 10 6  o 14.02253 6.492790 14.67717       21.10643 -12.59887      29.29010 44.13916       30.44116 12.28517 6.119472 17.07353 7.866973 -4.788359      9.966805 
1 1 1 -38 10 7  o 20.68299 7.847976 50.20078       21.87927 59.91921       31.02812 40.58953       30.85653 18.91882 8.397328 16.55547 7.727919 2.363350       11.41209 
1 1 1 -38 10 8  o 22.10780 7.999891 56.76896       22.24801 24.70422       31.01203 90.77105       31.93516 14.94857 7.193889 23.55745 9.328790 -8.608881      11.78042 
1 1 1 -38 10 9  o 12.61508 6.018727 4.541776       20.69684 -1.971554      29.21923 11.10034       29.32052 12.82850 6.341383 13.76770 6.711652 -0.9392061     9.233603 
1 1 1 -38 10 10 o 13.88420 6.434216 14.73201       20.79352 6.223718       29.01628 23.71386       29.81286 13.37022 6.551599 14.80383 7.105877 -1.433608      9.665243 
1 1 1 -38 10 11 o 19.65985 7.784308 47.47903       22.23336 58.68832       30.76574 35.22581       32.16647 18.61439 8.305758 15.73899 7.507546 2.875395       11.19593 
1 1 1 -38 10 12 o 13.50464 6.356020 11.78532       21.61699 25.57472       29.51500 -4.170734      31.74920 14.95494 7.149413 12.84960 6.395835 2.105341       9.592748 
1 1 1 -38 10 13 o 17.11283 7.801584 46.45958       28.88391 73.65000       39.21051 14.20000       42.70944 17.84526 8.447575 13.99833 7.033099 3.846929       10.99209 
1 1 1 -38 11 1  o 18.78022 7.925545 47.81392       24.95660 27.12226       28.56723 114.5000       51.28473 15.27498 7.224797 18.95255 9.153236 -3.677566      11.66102 
1 1 1 -38 11 2  o 26.76627 7.667048 69.26194       21.11532 44.56931       29.44669 95.39693       30.29451 17.16832 7.846091 25.76998 9.333738 -8.601660      12.19343 
1 1 1 -38 11 3  f 17.14824 7.463037 36.59954       23.42587 39.88779       29.37973 30.86000       38.81544 16.59493 7.675616 15.16371 7.459903 1.431229       10.70352 
1 1 1 -38 11 4  o 12.30101 5.916281 1.209674       20.90305 -12.03617      29.15091 15.22875       29.98969 12.22764 6.093080 14.14634 6.871578 -1.918695      9.183910 
1 1 1 -38 11 5  o 15.92078 6.987477 27.46413       20.91652 33.21730       28.92197 21.15550       30.28602 15.82969 7.419141 14.60563 7.048957 1.224060       10.23384 
1 1 1 -38 11 6  f 19.51772 7.686092 45.74423       21.56932 39.31497       29.74689 52.87202       31.32121 16.36828 7.622907 17.68729 8.086565 -1.319014      11.11311 
1 1 1 -38 11 7  o 13.23873 6.215991 10.08950       20.45943 -32.49139      27.57525 62.23556       30.51567 10.89467 5.496404 19.13792 8.418308 -8.243243      10.05377 
1 1 1 -38 11 8  o 11.73209 5.697162 -3.598662      20.57388 2.780455       28.77754 -10.26804      29.42497 13.10009 6.440462 12.31312 6.133416 0.7869778      8.893724 
1 1 1 -38 11 9  o 10.87049 5.357692 -12.86670      20.33063 -25.27502      28.78465 -0.5147693     28.71917 11.43092 5.747297 12.87376 6.349362 -1.442834      8.564218 
1 1 1 -38 11 10 o 14.21738 6.578939 17.35745       21.62056 5.088001       29.89164 30.81873       31.30981 13.30331 6.545018 15.33390 7.339487 -2.030592      9.833887 
1 1 1 -38 11 11 o 13.50419 6.459267 12.02014       24.16018 60.38333       30.15996 -74.60000      40.36293 18.68645 8.287424 11.01562 5.651713 7.670829       10.03111 
1 1 1 -38 12 1  f 18.10494 7.803617 45.15153       25.11796 40.40000       37.23325 49.12000       34.02717 15.76257 7.656650 16.80986 7.930897 -1.047286      11.02377 
1 1 1 -38 12 2  o 12.42290 6.098423 -2.696506      25.49660 9.804000       46.35023 -8.120294      30.53089 14.05953 7.097105 12.53957 6.246442 1.519965       9.454467 
1 1 1 -38 12 3  o 13.34502 6.411829 8.966683       24.40686 13.90695       28.06164 -6.380000      49.45897 13.93463 6.739770 13.59885 6.914283 0.3357754      9.655663 
1 1 1 -38 12 4  o 12.26326 5.881124 1.942004       20.31909 -2.566192      27.72122 7.176188       29.87001 12.64025 6.234931 13.46919 6.609757 -0.8289375     9.086432 
1 1 1 -38 12 5  o 14.23042 6.525642 17.23472       20.60140 11.57878       27.97202 23.93966       30.45575 13.73376 6.663075 14.79278 7.121502 -1.059015      9.752557 
1 1 1 -38 12 6  f 10.83847 5.333410 -12.14484      19.88120 -26.40521      27.10110 4.472103       29.25479 11.13114 5.593894 13.24848 6.509473 -2.117344      8.582825 
1 1 1 -38 12 7  f 13.84122 6.417194 14.72299       20.71885 36.25293       28.82227 -8.298830      29.80414 16.07560 7.492255 12.43551 6.190883 3.640085       9.719101 
1 1 1 -38 12 8  o 11.23467 5.504194 -7.980697      20.45320 0.7370384      28.52651 -17.20340      29.34107 12.83034 6.327965 11.82576 5.925740 1.004581       8.669344 
1 1 1 -38 12 9  f 13.12196 6.294237 9.073662       23.30088 -25.22770      28.58425 77.01000       40.22742 11.27531 5.676682 17.83177 8.474612 -6.556458      10.20018 
1 1 1 -38 13 1  o 11.38163 5.540841 -4.922668      19.79289 -10.91891      27.90522 1.148199       28.07832 11.99340 5.973961 12.79089 6.302686 -0.7974892     8.684012 
1 1 1 -38 13 2  o 17.96466 7.404000 39.25130       21.03600 27.50009       29.16324 51.99713       30.37237 14.96145 7.139930 17.47841 7.980437 -2.516958      10.70822 
1 1 1 -38 13 3  o 16.99376 7.459305 38.41869       23.84322 10.80000       37.79649 56.67430       30.72898 13.75156 6.865853 17.96924 8.134669 -4.217678      10.64485 
1 1 1 -38 13 4  o 15.23208 7.065788 27.84995       25.16916 34.61406       28.98021 7.086000       50.77515 15.65417 7.365105 13.80490 7.017725 1.849275       10.17316 
1 1 1 -38 13 5  o 13.03640 6.246329 8.682063       22.80793 -6.102324      28.97615 32.76000       36.97845 12.34548 6.139165 14.93698 7.334956 -2.591505      9.565088 
1 1 1 -37 0  1  o 12.36327 8.367525 9.366000       29.91816 9.366000       29.91816 9.366000       29.91816 12.36327 8.367525 12.36327 8.367525 0.000000       0.000000 
1 1 1 -37 0  2  o 12.89157 8.653996 13.43000       30.77956 13.43000       30.77956 13.43000       30.77956 12.89157 8.653996 12.89157 8.653996 -0.000000      0.000000 
1 1 1 -37 0  3  o 13.13950 8.756452 15.61000       30.51244 15.61000       30.51244 15.61000       30.51244 13.13950 8.756452 13.13950 8.756452 -0.000000      0.000000 
1 1 1 -37 0  4  f 10.12210 7.173969 -14.71000      29.64507 -14.71000      29.64507 -14.71000      29.64507 10.12210 7.173969 10.12210 7.173969 -0.000000      0.000000 
1 1 1 -37 0  5  o 10.32565 7.213295 -6.936912      26.78673 -6.936912      26.78673 -6.936912      26.78673 10.32565 7.213295 10.32565 7.213295 -0.000000      0.000000 
1 1 1 -37 0  6  o 22.14053 11.28297 61.26778       30.72957 61.26778       30.72957 61.26778       30.72957 22.14053 11.28297 22.14053 11.28297 0.000000       0.000000 
1 1 1 -37 0  7  o 35.74847 10.26024 103.1137       31.12225 103.1137       31.12225 103.1137       31.12225 35.74847 10.26024 35.74847 10.26024 0.000000       0.000000 
1 1 1 -37 0  8  o 18.08828 10.35655 43.94635       29.00329 43.94635       29.00329 43.94635       29.00329 18.08828 10.35655 18.08828 10.35655 0.000000       0.000000 
1 1 1 -37 0  9  o 18.76673 10.51461 46.98615       29.04003 46.98615       29.04003 46.98615       29.04003 18.76673 10.51461 18.76673 10.51461 -0.000000      0.000000 
1 1 1 -37 0  10 o 19.70292 10.70355 50.82413       29.07377 50.82413       29.07377 50.82413       29.07377 19.70292 10.70355 19.70292 10.70355 0.000000       0.000000 
1 1 1 -37 0  11 o 11.75814 7.962330 7.161866       27.16452 7.161866       27.16452 7.161866       27.16452 11.75814 7.962330 11.75814 7.962330 0.000000       0.000000 
1 1 1 -37 0  12 o 14.10382 9.023577 23.75074       27.93839 23.75074       27.93839 23.75074       27.93839 14.10382 9.023577 14.10382 9.023577 -0.000000      0.000000 
1 1 1 -37 0  13 o 12.86780 8.458360 15.88426       26.93219 15.88426       26.93219 15.88426       26.93219 12.86780 8.458360 12.86780 8.458360 -0.000000      0.000000 
1 1 1 -37 0  14 o 26.32449 11.58636 76.86127       31.26332 76.86127       31.26332 76.86127       31.26332 26.32449 11.58636 26.32449 11.58636 0.000000       0.000000 
1 1 1 -37 0  15 f 14.63112 9.291927 27.31627       28.97417 27.31627       28.97417 27.31627       28.97417 14.63112 9.291927 14.63112 9.291927 -0.000000      0.000000 
1 1 1 -37 0  16 o 8.895750 6.398734 -25.54783      27.25302 -25.54783      27.25302 -25.54783      27.25302 8.895750 6.398734 8.895750 6.398734 0.000000       0.000000 
1 1 1 -37 0  17 o 10.94664 7.558258 0.8535217      27.24234 0.8535217      27.24234 0.8535217      27.24234 10.94664 7.558258 10.94664 7.558258 0.000000       0.000000 
1 1 1 -37 0  18 o 13.54538 8.858789 21.74532       28.98936 21.74532       28.98936 21.74532       28.98936 13.54538 8.858789 13.54538 8.858789 0.000000       0.000000 
1 1 1 -37 0  19 f 11.06486 7.701920 0.6641703E-01  29.79192 0.6641703E-01  29.79192 0.6641703E-01  29.79192 11.06486 7.701920 11.06486 7.701920 0.000000       0.000000 
1 1 1 -37 0  20 o 13.11980 9.231571 15.63000       46.27283 15.63000       46.27283 15.63000       46.27283 13.11980 9.231571 13.11980 9.231571 0.000000       0.000000 
1 1 1 -37 0  21 o 11.24968 7.753806 4.767276       28.36593 4.767276       28.36593 4.767276       28.36593 11.24968 7.753806 11.24968 7.753806 -0.000000      0.000000 
1 1 1 -37 0  22 o 9.090422 6.522334 -20.04435      27.55171 -20.04435      27.55171 -20.04435      27.55171 9.090422 6.522334 9.090422 6.522334 -0.000000      0.000000 
1 1 1 -37 0  23 o 10.35799 7.295076 -5.051732      29.10726 -5.051732      29.10726 -5.051732      29.10726 10.35799 7.295076 10.35799 7.295076 -0.000000      0.000000 
1 1 1 -37 0  24 o 19.35872 11.85468 80.24000       42.94376 80.24000       42.94376 80.24000       42.94376 19.35872 11.85468 19.35872 11.85468 -0.000000      0.000000 
1 1 1 -37 1  1  f 14.10288 6.553495 6.192512       21.79820 16.04000       31.83680 -2.498000      29.90813 15.96237 7.572568 14.18781 6.884866 1.774567       10.23451 
1 1 1 -37 1  2  o 23.49904 8.254060 54.01489       23.51293 57.28000       33.54145 50.86000       32.97051 20.82471 8.996995 19.99632 8.774603 0.8283920      12.56740 
1 1 1 -37 1  3  o 18.00880 7.587195 29.93673       22.80929 13.42000       32.63510 45.71000       31.89215 15.74518 7.524640 19.42736 8.573437 -3.682179      11.40719 
1 1 1 -37 1  4  o 16.79235 7.351209 23.49718       23.01900 22.05000       33.05376 24.86000       32.07583 16.54982 7.810773 16.83398 7.864898 -0.2841530     11.08444 
1 1 1 -37 1  5  o 13.12798 6.187234 0.1570936      20.61045 -14.03096      26.78548 20.75000       32.26984 12.82788 6.287677 16.40002 7.733216 -3.572146      9.966821 
1 1 1 -37 1  6  o 24.82892 7.656695 53.21889       20.45375 26.66381       28.07194 83.27069       29.86303 17.08954 7.751800 27.43007 9.317293 -10.34053      12.12033 
1 1 1 -37 1  7  o 21.33854 7.694148 42.03387       20.55728 34.14517       29.16502 49.82314       28.98063 18.00695 8.057081 20.52815 8.594263 -2.521204      11.78040 
1 1 1 -37 1  8  f 17.71783 7.235035 27.49641       19.85146 24.15610       28.07716 30.83531       28.07123 16.66224 7.632357 17.55907 7.876957 -0.8968391     10.96811 
1 1 1 -37 1  9  o 13.78437 6.316706 7.069483       19.25814 25.50710       27.54109 -10.57096      26.93912 16.80409 7.644231 13.03287 6.370726 3.771221       9.950900 
1 1 1 -37 1  10 o 13.86652 6.342963 7.684805       19.30301 4.039016       27.12024 11.42809       27.48048 14.31050 6.844558 15.09115 7.122209 -0.7806435     9.877947 
1 1 1 -37 1  11 o 19.16832 7.446583 33.98158       20.01960 75.63873       28.89941 -4.452719      27.75900 25.73634 9.140758 13.60863 6.610548 12.12771       11.28064 
1 1 1 -37 1  12 o 15.68160 6.851744 18.21568       19.91293 -0.3232480     27.12877 39.87202       29.32111 13.87676 6.690769 18.60364 8.214796 -4.726878      10.59478 
1 1 1 -37 1  13 o 19.95065 7.579451 37.56677       20.42298 50.71490       28.11006 22.86725       29.72223 20.63618 8.537158 16.36158 7.619774 4.274595       11.44308 
1 1 1 -37 1  14 o 15.54489 6.799856 17.52822       19.66204 20.50521       27.30463 14.32193       28.33673 16.08791 7.426375 15.40695 7.259326 0.6809549      10.38503 
1 1 1 -37 1  15 o 16.40120 6.994338 22.05433       19.78405 13.62874       27.58286 30.98179       28.39245 15.26469 7.182944 17.37884 7.847932 -2.114143      10.63883 
1 1 1 -37 1  16 o 14.46036 6.552227 11.88936       19.99147 10.76108       28.73262 12.94810       27.83325 14.91704 7.109911 15.08822 7.134943 -0.1711769     10.07265 
1 1 1 -37 1  17 o 13.19594 6.255779 1.720704       21.65347 12.45874       28.10611 -13.96000      33.96418 14.95755 7.101438 13.46461 6.687418 1.492935       9.754587 
1 1 1 -37 1  18 o 20.30033 8.132700 46.37399       24.54869 52.70000       45.99298 43.85382       29.02962 17.73582 8.590323 18.74731 8.229803 -1.011486      11.89636 
1 1 1 -37 1  19 o 14.37220 6.541104 12.59707       20.19623 12.37742       28.64208 12.81427       28.48215 14.80165 7.067026 14.83659 7.073597 -0.3493500E-01 9.998931 
1 1 1 -37 1  20 o 13.42469 6.353673 4.879083       22.15988 -7.302000      36.42373 12.03735       27.92192 13.80340 6.867285 14.62451 6.981117 -0.8211107     9.792630 
1 1 1 -37 1  21 o 12.37035 6.035421 -7.108154      23.84859 2.037631       28.27205 -29.67000      44.40522 13.64618 6.638504 13.33379 6.755378 0.3123894      9.471266 
1 1 1 -37 1  22 o 15.24073 6.835928 20.12190       21.13298 20.25341       29.25087 19.97830       30.56556 15.16350 7.212212 15.13728 7.247079 0.2622032E-01  10.22429 
1 1 1 -37 1  23 o 11.07077 5.444161 -14.45470      20.60514 -21.91411      28.37659 -6.134772      29.96868 11.90380 5.944196 13.06572 6.451901 -1.161916      8.772713 
1 1 1 -37 1  24 o 13.44062 6.536890 4.313662       27.36721 -12.17000      37.34227 23.44000       40.22441 13.17806 6.614835 15.08422 7.453479 -1.906160      9.965460 
1 1 1 -37 2  1  o 16.19785 7.190674 19.92165       22.76012 58.51000       35.30832 -7.512000      29.77081 20.60951 9.060813 13.77147 6.724304 6.838037       11.28338 
1 1 1 -37 2  2  o 31.63425 8.167251 86.51403       25.46262 67.11000       36.87374 104.2000       35.20347 21.44297 9.347228 28.88111 10.10302 -7.438141      13.76378 
1 1 1 -37 2  3  o 24.22036 8.489347 59.28640       24.86372 60.58000       35.64113 58.06000       34.70287 20.80970 9.127541 20.65618 9.034773 0.1535168      12.84286 
1 1 1 -37 2  4  o 13.59001 6.338554 3.638455       20.69117 -17.23738      26.96888 33.51000       32.26041 12.62077 6.210705 17.78019 8.158114 -5.159416      10.25318 
1 1 1 -37 2  5  o 16.61758 7.011445 22.01943       19.52534 21.68019       27.42165 22.36832       27.80841 16.44809 7.537431 16.53657 7.582604 -0.8848190E-01 10.69153 
1 1 1 -37 2  6  o 12.63266 5.937278 -0.8040380     18.74614 1.453554       26.70114 -2.998465      26.32496 14.12204 6.764358 13.65698 6.586323 0.4650631      9.441196 
1 1 1 -37 2  7  o 16.05442 6.891831 19.56636       19.44074 21.16055       27.43843 17.95936       27.54860 16.31297 7.499188 15.92183 7.387982 0.3911438      10.52711 
1 1 1 -37 2  8  f 11.48057 5.550314 -10.64630      18.97734 -45.19721      26.78807 24.16347       26.88823 10.84575 5.464893 16.66178 7.569141 -5.816032      9.335789 
1 1 1 -37 2  9  o 13.18950 6.143729 2.982337       19.33779 23.79970       28.12102 -15.69298      26.63497 16.55387 7.603307 12.58482 6.188902 3.969054       9.803713 
1 1 1 -37 2  10 o 14.00159 6.378902 8.608504       19.26864 20.72897       27.67875 -2.788978      26.84054 16.15275 7.463680 13.64172 6.596499 2.511033       9.960940 
1 1 1 -37 2  11 o 12.48160 5.940232 -3.199116      19.90404 3.907588       26.92310 -11.76504      29.55821 14.25780 6.819426 13.28225 6.529463 0.9755497      9.441317 
1 1 1 -37 2  12 o 25.56864 7.767635 57.86165       21.15185 34.21950       28.72555 85.86254       31.26157 17.84210 7.988787 26.66082 9.503026 -8.818724      12.41484 
1 1 1 -37 2  13 o 24.82265 7.810850 55.54122       21.16986 58.04886       29.34609 52.82027       30.56873 21.65359 8.813792 20.37663 8.692052 1.276957       12.37880 
1 1 1 -37 2  14 o 19.69440 7.540845 36.45067       20.31673 33.79750       27.89904 39.44626       29.64475 17.85511 7.941748 18.48450 8.206084 -0.6293888     11.41977 
1 1 1 -37 2  15 o 14.83471 6.635155 13.74521       19.75901 32.52945       27.58979 -6.034049      28.31108 17.64411 7.869592 13.50207 6.585012 4.142040       10.26123 
1 1 1 -37 2  16 o 18.15458 7.564610 32.66729       22.29498 20.05096       28.24283 53.53000       36.31844 15.85098 7.397190 19.06835 8.714118 -3.217377      11.43041 
1 1 1 -37 2  17 o 17.41776 7.573207 30.66735       24.07514 2.684000       44.94171 41.92977       28.51119 15.05566 7.512255 18.63003 8.167811 -3.574377      11.09717 
1 1 1 -37 2  18 o 14.05100 6.427916 10.23527       19.82931 -10.99342      28.07589 31.36440       28.00998 12.89148 6.342545 17.06626 7.742033 -4.174775      10.00834 
1 1 1 -37 2  19 o 10.93387 5.374126 -16.58500      19.99675 -20.22049      28.34437 -12.98250      28.21542 12.24491 6.086267 12.69495 6.267230 -0.4500341     8.736179 
1 1 1 -37 2  20 o 14.17763 6.530829 11.71057       20.95844 32.59617       29.09017 -10.83130      30.22162 16.83576 7.732939 13.00100 6.430765 3.834761       10.05749 
1 1 1 -37 2  21 o 12.34319 5.998754 -5.673055      22.93306 -23.44000      36.09661 6.352164       29.69659 12.85304 6.458772 14.07911 6.838691 -1.226066      9.406563 
1 1 1 -37 2  22 o 15.68213 7.186615 24.23720       24.93069 23.56806       29.52388 25.90000       46.54073 15.46086 7.322214 15.43550 7.692735 0.2536488E-01  10.62040 
1 1 1 -37 2  23 o 10.69715 5.293205 -18.95099      20.54567 -18.42317      28.75655 -19.50138      29.36492 12.16022 6.058239 12.17822 6.075868 -0.1799583E-01 8.580119 
1 1 1 -37 3  1  o 14.00032 6.470267 6.510720       20.81463 6.293707       29.39357 6.729000       29.47927 14.87316 7.116905 14.92053 7.136249 -0.4737282E-01 10.07851 
1 1 1 -37 3  2  o 13.78641 6.418706 4.710746       21.06767 3.995838       28.56859 5.563000       31.19238 14.58426 6.988724 14.95079 7.199989 -0.3665333     10.03405 
1 1 1 -37 3  3  o 14.87334 6.741166 12.19916       21.17822 -15.60276      27.84389 50.36000       32.62131 12.87931 6.332553 19.92815 8.736835 -7.048841      10.79044 
1 1 1 -37 3  4  o 21.94715 7.639974 43.36625       20.11712 25.43505       28.12417 62.15292       28.78723 16.92181 7.708241 23.07397 8.939007 -6.152164      11.80351 
1 1 1 -37 3  5  o 14.56095 6.545016 11.31896       19.48770 -1.342336      27.43600 24.21134       27.68523 13.94482 6.724823 16.74259 7.634794 -2.797778      10.17415 
1 1 1 -37 3  6  o 14.83068 6.586031 13.19226       19.10997 18.99675       27.34826 7.653862       26.71405 16.04394 7.415377 14.71656 6.968343 1.327380       10.17574 
1 1 1 -37 3  7  o 14.22395 6.411318 10.00250       18.84737 -6.653089      27.06068 25.69362       26.26551 13.38499 6.507632 16.89931 7.597058 -3.514317      10.00323 
1 1 1 -37 3  8  o 25.83207 7.540504 56.53254       20.24679 56.72759       28.53485 56.33477       28.73274 21.79679 8.755791 21.65269 8.754872 0.1441021      12.38191 
1 1 1 -37 3  9  o 17.70916 7.228814 27.75394       19.80836 31.57138       27.82993 23.83424       28.20023 17.59037 7.870608 16.53881 7.602850 1.051559       10.94303 
1 1 1 -37 3  10 o 12.85859 6.063696 -0.3141497E-01 19.84631 10.41078       27.42654 -11.50918      28.75436 14.96005 7.076807 13.19311 6.476481 1.766938       9.593019 
1 1 1 -37 3  11 o 22.75936 7.724605 47.58648       20.52572 31.90198       28.38427 64.77853       29.71708 17.55556 7.894348 22.86845 9.016782 -5.312889      11.98428 
1 1 1 -37 3  12 f 13.23452 6.173218 3.263342       19.63181 6.495669       27.27674 -0.2105006     28.27743 14.51839 6.922004 13.99822 6.769341 0.5201778      9.681845 
1 1 1 -37 3  13 o 15.70243 6.857806 18.37015       19.92901 15.46590       27.28307 21.69234       29.18024 15.48466 7.240719 16.23372 7.556779 -0.7490616     10.46580 
1 1 1 -37 3  14 f 24.55981 7.758311 54.16893       20.86695 57.54356       29.01292 50.55255       30.03420 21.64645 8.781061 20.10902 8.597831 1.537430       12.28942 
1 1 1 -37 3  15 o 17.56246 7.453847 29.21200       22.28344 38.09674       29.09697 16.61000       34.65333 18.23096 8.109598 15.73676 7.581130 2.494200       11.10131 
1 1 1 -37 3  16 f 16.38815 7.056547 23.06039       20.49912 35.51270       29.87259 11.97802       28.18152 17.61861 7.993676 14.94682 7.100556 2.671794       10.69190 
1 1 1 -37 3  17 o 18.71082 7.383908 33.56166       19.94412 13.71307       27.38283 55.98776       29.10651 15.01709 7.093993 20.81054 8.655004 -5.793449      11.19079 
1 1 1 -37 3  18 o 15.95385 6.926569 21.44612       20.07842 26.31618       27.69553 16.05086       29.15069 16.39377 7.535566 15.24252 7.235421 1.151254       10.44682 
1 1 1 -37 3  19 o 12.11349 5.839860 -5.387625      20.65163 -7.731281      29.08359 -3.004154      29.32959 13.14723 6.465807 13.51523 6.615163 -0.3679991     9.250246 
1 1 1 -37 3  20 o 14.83191 6.734945 16.23129       21.25970 18.90010       29.51348 13.35292       30.65025 15.27752 7.260171 14.79613 7.128450 0.4813814      10.17472 
1 1 1 -37 3  21 o 12.86679 6.115848 2.454376       20.96523 8.234537       29.26900 -3.636285      30.04486 14.17342 6.861989 13.33279 6.559962 0.8406277      9.493155 
1 1 1 -37 3  22 o 15.90614 7.193488 25.68970       23.95814 14.54000       38.35493 32.82356       30.67975 14.77113 7.294965 16.32533 7.648175 -1.554203      10.56935 
1 1 1 -37 3  23 o 14.39185 6.804365 13.81576       25.29156 31.25293       30.15684 -27.53000      46.43691 16.20843 7.589962 13.36680 6.786484 2.841629       10.18155 
1 1 1 -37 4  1  f 35.70354 6.525357 91.22934       21.96449 54.33260       31.45957 126.3203       30.68006 20.71328 8.826167 38.10627 8.447232 -17.39299      12.21708 
1 1 1 -37 4  2  o 37.89457 6.271544 100.2357       22.44958 93.80822       32.19820 106.3163       31.31714 28.36105 9.674014 32.19836 9.372154 -3.837305      13.46937 
1 1 1 -37 4  3  o 46.52969 5.255848 138.1856       23.51903 136.3088       33.38772 140.0341       33.13557 38.14378 9.074898 39.33640 8.823673 -1.192619      12.65745 
1 1 1 -37 4  4  o 14.66406 6.586566 11.95465       19.69592 -7.496223      28.82012 29.00023       26.97939 13.58583 6.629826 17.39788 7.769405 -3.812054      10.21363 
1 1 1 -37 4  5  o 10.98611 5.359200 -15.15142      18.78242 -7.031318      27.44744 -22.30252      25.75772 13.41953 6.531120 11.98793 5.930967 1.431599       8.822239 
1 1 1 -37 4  6  o 15.89538 6.854252 18.98349       19.39466 14.53318       27.55532 23.35261       27.30279 15.47617 7.249686 16.54107 7.557776 -1.064902      10.47272 
1 1 1 -37 4  7  o 10.21154 5.042218 -22.01222      18.29477 -18.48052      25.97828 -25.48709      25.76843 12.26952 6.048961 11.74764 5.833005 0.5218773      8.403206 
1 1 1 -37 4  8  o 11.72954 5.636909 -7.914993      18.88812 -13.76692      26.53423 -1.903725      26.89306 12.70031 6.231897 13.72772 6.629482 -1.027409      9.098713 
1 1 1 -37 4  9  o 16.06202 6.923573 20.13562       19.77486 24.54190       26.94094 14.98863       29.11747 16.63145 7.563662 15.52761 7.329129 1.103842       10.53210 
1 1 1 -37 4  10 o 14.63919 6.572949 12.44050       19.59435 6.269952       26.58535 19.77879       28.99200 14.45128 6.874114 16.02511 7.483796 -1.573825      10.16172 
1 1 1 -37 4  11 o 12.58375 5.956825 -1.565865      19.49605 5.806479       26.81425 -9.834167      28.39691 14.41157 6.868840 13.24530 6.488497 1.166269       9.448893 
1 1 1 -37 4  12 o 16.58319 7.075846 22.99664       20.26763 18.97345       28.27853 27.24618       29.06309 15.90083 7.414283 16.88030 7.744506 -0.9794712     10.72143 
1 1 1 -37 4  13 o 16.89972 7.275586 25.08350       21.78435 26.72233       28.08879 22.61000       34.50808 16.85089 7.686505 16.33132 7.786170 0.5195656      10.94106 
1 1 1 -37 4  14 o 15.87856 7.221967 19.45982       24.56924 9.948000       47.15242 23.00479       28.78578 15.72596 7.822071 16.33808 7.571061 -0.6121197     10.88603 
1 1 1 -37 4  15 o 15.02248 6.693962 15.32577       19.91332 -29.92959      27.24534 67.22631       29.17717 11.64423 5.816103 23.26367 9.002924 -11.61944      10.71819 
1 1 1 -37 4  16 o 13.91876 6.401519 8.834383       20.02606 4.925395       27.53030 13.22717       29.18426 14.18495 6.813925 15.07839 7.180848 -0.8934307     9.899199 
1 1 1 -37 4  17 o 15.98755 6.981074 21.53544       20.64385 39.43610       28.12887 0.6386230      30.39191 18.22318 8.046457 14.01706 6.833205 4.206121       10.55643 
1 1 1 -37 4  18 o 15.05473 6.740154 16.68962       20.44295 8.618084       27.77534 26.23046       30.19774 14.41055 6.901623 16.24142 7.602079 -1.830874      10.26762 
1 1 1 -37 4  19 o 12.54612 5.964022 -0.1550480     19.94717 -1.114518      26.88415 1.020086       29.75256 13.37793 6.500108 13.82400 6.743898 -0.4460735     9.366513 
1 1 1 -37 4  20 o 19.57749 7.656415 40.59569       21.27684 50.53619       29.26224 29.44507       30.99224 19.19859 8.348376 16.26153 7.640085 2.937061       11.31664 
1 1 1 -37 4  21 o 28.78943 7.978261 78.15625       23.25934 95.02206       32.76767 61.02849       33.02116 25.49891 9.620291 19.52615 8.665088 5.972757       12.94734 
1 1 1 -37 4  22 o 15.64292 6.946770 22.88290       21.26103 6.891593       30.09750 38.81090       30.03787 13.97777 6.810937 17.07023 7.846966 -3.092455      10.39056 
1 1 1 -37 4  23 o 11.80130 5.737416 -6.437383      21.02812 -17.55610      30.00016 4.301354       29.48308 12.28556 6.131267 13.65893 6.674181 -1.373371      9.062953 
1 1 1 -37 5  1  o 19.14793 7.489910 33.89015       20.36483 0.5049456      29.07296 66.05129       28.53501 14.23283 6.878195 23.84514 8.981606 -9.612309      11.31277 
1 1 1 -37 5  2  o 19.77024 7.545128 36.25864       20.29624 39.58714       29.94008 33.42848       27.60798 18.61063 8.255299 17.95578 7.947957 0.6548500      11.45949 
1 1 1 -37 5  3  o 25.44599 7.784697 57.10938       21.19571 14.88914       30.29314 97.60280       29.66718 15.63472 7.408214 31.02985 9.146838 -15.39513      11.77057 
1 1 1 -37 5  4  o 13.75266 6.335434 6.413157       19.72709 13.12293       29.01536 0.6456054      26.90109 15.38729 7.278910 13.99146 6.724762 1.395838       9.909842 
1 1 1 -37 5  5  o 19.89668 7.559446 36.92941       20.31613 34.14822       29.76690 39.35465       27.79686 17.82381 8.043481 18.81444 8.159316 -0.9906273     11.45740 
1 1 1 -37 5  6  o 15.46933 6.777443 16.97139       19.60066 27.38272       29.02547 8.243595       26.57533 16.96254 7.766263 14.68303 6.951805 2.279503       10.42317 
1 1 1 -37 5  7  o 18.10274 7.335484 29.77928       20.22123 14.73064       27.93014 46.35647       29.31433 15.45639 7.258983 19.64188 8.447804 -4.185482      11.13814 
1 1 1 -37 5  8  f 16.14787 6.957425 20.62941       19.95121 18.96387       27.42626 22.50143       29.07654 15.91122 7.379090 16.34101 7.585105 -0.4297915     10.58229 
1 1 1 -37 5  9  o 14.71482 6.593458 12.91015       19.60691 -8.382138      26.56144 38.40359       29.06395 13.10464 6.388338 18.40807 8.151168 -5.303430      10.35627 
1 1 1 -37 5  10 f 12.35628 5.873979 -3.172529      19.35269 6.541886       26.62724 -14.04994      28.17608 14.46474 6.880232 12.90344 6.349491 1.561294       9.362351 
1 1 1 -37 5  11 o 18.79322 7.415674 32.80633       20.11426 29.99706       27.67767 35.95068       29.28180 17.29714 7.785326 17.99759 8.061533 -0.7004471     11.20712 
1 1 1 -37 5  12 o 15.91677 7.043039 19.62169       21.66149 -6.151881      27.14379 64.82000       35.94547 13.35872 6.500026 20.85295 9.155857 -7.494232      11.22854 
1 1 1 -37 5  13 o 20.86384 8.290229 47.97493       25.30144 88.78000       48.70478 32.89294       29.61036 20.69740 9.676959 17.54106 7.958498 3.156345       12.52921 
1 1 1 -37 5  14 o 12.77801 6.030215 0.1552559      19.69499 -0.7627801     27.40629 1.135672       28.32212 13.77643 6.662614 14.03873 6.785468 -0.2622986     9.509626 
1 1 1 -37 5  15 o 15.18954 6.774923 16.54409       20.44895 12.29703       28.07498 21.34337       29.84443 14.96018 7.101188 15.94201 7.492263 -0.9818306     10.32283 
1 1 1 -37 5  16 o 17.87638 7.371872 30.88436       20.86983 50.69289       28.09640 6.502806       31.17131 20.13278 8.447651 14.55610 7.055390 5.576677       11.00642 
1 1 1 -37 5  17 f 15.49434 6.857120 19.01706       20.54028 32.21229       28.14840 3.988250       30.04052 17.12831 7.766592 14.21054 6.896876 2.917768       10.38686 
1 1 1 -37 5  18 o 17.10658 7.231220 28.18383       20.83171 45.07257       28.63949 9.209449       30.35641 18.76480 8.207559 14.55906 7.034022 4.205732       10.80932 
1 1 1 -37 5  19 o 14.40740 6.586815 13.47279       20.77875 12.54729       28.67494 14.49607       30.15184 14.66100 7.019143 14.89141 7.147455 -0.2304039     10.01771 
1 1 1 -37 5  20 o 12.51274 5.968104 0.5429777E-01  20.31829 -8.210196      27.67317 9.720401       29.92791 12.77685 6.288249 14.35275 6.946409 -1.575900      9.369882 
1 1 1 -37 5  21 o 14.97851 6.752816 18.64658       20.92095 23.48692       28.83156 13.26371       30.40444 15.46065 7.296168 14.52157 7.021673 0.9390850      10.12610 
1 1 1 -37 5  22 o 12.78899 6.094295 2.450099       21.08673 21.14399       28.96850 -18.61895      30.75378 15.20054 7.214708 12.38385 6.184565 2.816689       9.502676 
1 1 1 -37 5  23 o 16.64488 7.631247 35.72109       28.15366 72.23000       39.36535 -2.506000      40.28100 18.75684 8.746585 13.77286 6.907340 4.983979       11.14514 
1 1 1 -37 6  1  o 13.67863 6.283038 6.546023       19.20648 1.596371       28.29298 10.77646       26.15676 14.20217 6.843943 14.93068 7.016073 -0.7285080     9.801267 
1 1 1 -37 6  2  o 11.08442 5.402915 -14.37926      18.98445 -23.31907      28.05847 -6.831291      25.78190 12.29585 6.102024 13.14413 6.381641 -0.8482885     8.829498 
1 1 1 -37 6  3  o 24.92548 7.748655 55.15091       20.89949 45.92574       30.58562 63.23095       28.62445 19.35291 8.472898 23.05364 8.918434 -3.700727      12.30156 
1 1 1 -37 6  4  o 13.70470 6.330307 6.156047       19.88563 15.12396       28.96546 -1.838937      27.34914 15.54321 7.328399 13.78300 6.663331 1.760206       9.904818 
1 1 1 -37 6  5  o 14.78530 6.621668 13.18061       19.74778 43.11193       29.37090 -11.51384      26.67805 19.10417 8.334733 12.88565 6.307442 6.218518       10.45235 
1 1 1 -37 6  6  o 18.79955 7.502622 33.29945       20.81096 26.21167       28.89314 40.94086       30.00036 16.78460 7.708434 18.66913 8.273355 -1.884539      11.30789 
1 1 1 -37 6  7  o 19.19678 7.539090 34.88882       20.70284 62.90327       29.41641 7.394619       29.14198 22.58863 8.950738 14.76544 7.070998 7.823194       11.40678 
1 1 1 -37 6  8  o 16.57893 7.051162 22.89183       20.01251 22.66143       27.63743 23.14581       29.01685 16.34127 7.517358 16.39031 7.597389 -0.4904175E-01 10.68789 
1 1 1 -37 6  9  o 15.14356 6.729885 15.38995       19.99057 39.39744       27.80730 -10.28817      28.75856 18.69581 8.133868 13.24966 6.498674 5.446149       10.41118 
1 1 1 -37 6  10 o 18.34813 7.549153 32.37761       21.81984 24.35334       27.50929 45.99000       35.82977 16.53533 7.566921 18.53618 8.538750 -2.000853      11.40914 
1 1 1 -37 6  11 o 20.87920 7.818570 42.64040       21.55570 22.58780       29.98304 64.09252       31.01170 16.30757 7.614034 22.17291 9.047194 -5.865345      11.82477 
1 1 1 -37 6  12 o 14.13640 6.460398 9.308026       19.96326 10.69161       28.01861 7.881414       28.45097 14.97185 7.103048 14.72487 7.033942 0.2469854      9.996481 
1 1 1 -37 6  13 o 19.03168 7.467711 34.29287       20.29745 16.18180       27.70475 55.27771       29.82188 15.48426 7.258555 20.81930 8.717266 -5.335035      11.34360 
1 1 1 -37 6  14 o 14.63516 6.613977 13.16494       20.21091 18.86873       26.94840 5.832134       30.55527 15.66202 7.280961 14.54142 7.033162 1.120599       10.12313 
1 1 1 -37 6  15 o 14.82237 6.703158 14.53405       20.80149 10.38575       28.25931 19.43988       30.73144 14.72521 7.027526 15.68884 7.441972 -0.9636269     10.23568 
1 1 1 -37 6  16 o 17.12936 7.264173 27.80978       21.13492 35.61757       28.61970 18.44458       31.34438 17.56871 7.911341 15.53293 7.409735 2.035780       10.83944 
1 1 1 -37 6  17 o 11.06152 5.434866 -16.20345      20.39099 3.705884       27.48089 -40.59351      30.41648 13.91303 6.714668 11.49228 5.794760 2.420747       8.869387 
1 1 1 -37 6  18 o 14.17424 6.514399 11.64910       20.68760 35.53749       28.42450 -15.25708      30.16652 17.31839 7.833461 12.73927 6.322945 4.579114       10.06691 
1 1 1 -37 6  19 o 13.34876 6.251766 6.457481       20.47282 32.89461       27.97561 -24.02615      30.04040 16.84874 7.679935 12.13706 6.069052 4.711673       9.788503 
1 1 1 -37 6  20 o 14.03096 6.482703 11.97071       20.87445 8.265312       28.83855 16.04881       30.25417 14.09793 6.822054 14.82156 7.125753 -0.7236271     9.864927 
1 1 1 -37 6  21 o 14.47391 6.624285 15.63588       21.08988 5.379501       29.04914 27.06713       30.66784 13.77422 6.707169 15.71214 7.447538 -1.937921      10.02257 
1 1 1 -37 6  22 o 15.63630 6.936231 23.12802       21.13873 26.78051       29.25354 19.13681       30.57989 15.70142 7.391190 14.94368 7.179173 0.7577372      10.30389 
1 1 1 -37 7  1  f 23.22354 7.633612 48.33844       20.06971 51.90739       29.52961 45.27465       27.36009 20.49826 8.634255 19.83883 8.331022 0.6594334      11.99818 
1 1 1 -37 7  2  o 12.10167 5.777987 -5.037155      19.14742 -14.16627      28.13748 2.836278       26.13081 12.90214 6.348124 14.05876 6.722630 -1.156613      9.246211 
1 1 1 -37 7  3  o 21.56035 7.696850 43.52172       20.51528 29.86225       30.18418 55.24931       27.96833 17.17348 7.883983 21.57219 8.667443 -4.398716      11.71673 
1 1 1 -37 7  4  o 27.57224 7.538716 63.62740       20.92570 75.41435       30.71419 53.41658       28.58701 24.61614 9.308013 21.00873 8.642030 3.607414       12.70133 
1 1 1 -37 7  5  o 14.53526 6.608376 11.40843       20.54625 5.524291       28.52632 17.75155       29.61799 14.53418 6.969713 15.79838 7.436912 -1.264194      10.19238 
1 1 1 -37 7  6  o 14.47481 6.578099 11.17400       20.33160 14.98849       28.18248 7.034058       29.36012 15.44989 7.267134 14.73231 7.066334 0.7175827      10.13629 
1 1 1 -37 7  7  o 15.60960 6.860858 17.99531       20.23210 37.44374       28.48877 -1.794742      28.73789 18.29146 8.086225 13.90131 6.746535 4.390149       10.53104 
1 1 1 -37 7  8  o 17.00555 7.204227 25.39957       20.75150 12.15189       29.36332 38.61795       29.33082 15.18938 7.224961 18.34123 8.151355 -3.151842      10.89241 
1 1 1 -37 7  9  o 15.73311 7.017054 18.62495       21.93417 19.55564       28.32127 17.23000       34.67294 15.94512 7.429907 15.84855 7.621789 0.9656620E-01  10.64402 
1 1 1 -37 7  10 o 11.90393 5.858562 -17.72608      24.01808 -16.78000      45.85920 -18.08368      28.19418 14.50558 7.287939 12.61448 6.234410 1.891104       9.590720 
1 1 1 -37 7  11 o 16.50266 7.037703 22.73317       20.03061 22.02217       28.20449 23.45673       28.45225 16.21055 7.505779 16.38101 7.568477 -0.1704597     10.65920 
1 1 1 -37 7  12 o 16.26500 6.992164 21.82503       20.06456 40.84984       27.82085 1.203454       28.96484 18.80110 8.158131 14.10777 6.829254 4.693335       10.63926 
1 1 1 -37 7  13 o 14.69140 6.627654 13.55283       20.19015 19.04648       27.02852 6.617383       30.36887 15.67741 7.289359 14.58760 7.044776 1.089812       10.13724 
1 1 1 -37 7  14 o 16.07620 6.982641 21.80551       20.42262 14.00726       27.42821 31.50806       30.59439 15.04604 7.105314 16.96844 7.842835 -1.922404      10.58280 
1 1 1 -37 7  15 o 12.51416 5.962152 -1.572712      20.16164 -13.78115      26.51604 15.15850       31.04148 12.45730 6.135713 15.22800 7.293929 -2.770700      9.531442 
1 1 1 -37 7  16 o 15.12130 6.802696 17.10015       21.10292 11.04188       28.37082 24.60342       31.57350 14.66323 7.009823 16.02885 7.585550 -1.365616      10.32851 
1 1 1 -37 7  17 o 13.70324 6.412713 7.636870       21.46929 -15.32401      29.12870 34.94519       31.76686 12.61278 6.251994 16.96173 7.891932 -4.348951      10.06827 
1 1 1 -37 7  18 o 14.79599 6.707152 16.24153       20.97491 15.24870       28.75099 17.37114       30.66769 14.87187 7.094993 15.10987 7.240683 -0.2379990     10.13738 
1 1 1 -37 7  19 o 12.65507 6.042784 0.7269274      20.95308 -11.14173      29.07721 13.54690       30.22007 12.71384 6.292171 14.64292 7.060555 -1.929080      9.457423 
1 1 1 -37 7  20 o 12.29554 5.916373 -1.802382      20.95971 23.38779       29.28656 -28.25186      30.00968 15.39721 7.292264 11.76814 5.910254 3.629071       9.386597 
1 1 1 -37 7  21 o 15.47134 6.903120 21.96463       21.25031 24.26321       29.30568 19.41585       30.85943 15.48351 7.321681 15.01052 7.211448 0.4729910      10.27677 
1 1 1 -37 7  22 o 11.52199 5.761449 -22.73779      27.07034 34.61000       35.43648 -103.1000      41.94866 15.91323 7.666187 10.82133 5.565314 5.091894       9.473286 
1 1 1 -37 8  1  o 15.44824 6.747368 17.17675       19.29588 22.15868       28.47846 12.94844       26.23621 16.25949 7.533214 15.12184 7.080584 1.137647       10.33847 
1 1 1 -37 8  2  o 22.92056 7.675180 47.86266       20.26480 50.93881       29.96721 45.27067       27.50796 20.16235 8.603539 19.74633 8.326367 0.4160213      11.97286 
1 1 1 -37 8  3  o 19.34300 7.483571 35.07212       20.15599 49.93489       29.66811 22.33147       27.46855 20.05699 8.559593 16.27588 7.489854 3.781103       11.37385 
1 1 1 -37 8  4  o 13.68136 6.353411 5.789593       20.43526 -30.59556      28.68934 43.26246       29.11501 11.92566 5.958440 19.07791 8.311207 -7.152245      10.22640 
1 1 1 -37 8  5  o 27.42870 7.791134 65.61127       21.89454 63.42211       30.82494 67.84026       31.10406 22.06317 9.013271 22.79087 9.146180 -0.7277031     12.84101 
1 1 1 -37 8  6  o 30.92271 7.528218 78.31267       22.56950 58.15017       31.84332 98.66566       31.99339 20.83529 8.879049 29.07225 9.641569 -8.236965      13.10715 
1 1 1 -37 8  7  o 11.96085 5.766681 -8.055737      20.14580 4.015609       28.32863 -20.40692      28.65510 14.35103 6.898436 12.53000 6.209202 1.821023       9.281304 
1 1 1 -37 8  8  o 25.03178 8.332074 62.05735       23.88787 63.18365       31.44343 60.52000       36.73571 21.81713 9.027761 20.06498 9.005257 1.752150       12.75128 
1 1 1 -37 8  9  o 28.43779 7.729399 69.22304       22.07391 76.26911       31.70395 62.59364       30.75225 24.18941 9.378246 21.93118 8.986010 2.258224       12.98845 
1 1 1 -37 8  10 o 13.80443 6.402177 6.699481       20.64683 31.64151       29.61155 -16.89948      28.80326 17.31755 7.896580 12.75657 6.304037 4.560984       10.10430 
1 1 1 -37 8  11 o 19.28691 7.559387 36.12099       20.77912 23.57075       28.94077 49.47459       29.85266 16.27301 7.558280 19.72988 8.505713 -3.456873      11.37870 
1 1 1 -37 8  12 o 14.91460 6.709860 14.97163       20.53221 16.30469       27.52565 13.29951       30.82802 15.34273 7.205801 15.16214 7.264097 0.1805887      10.23184 
1 1 1 -37 8  13 o 17.31550 7.301022 28.50834       21.14858 22.45674       28.28478 36.18099       31.84862 15.97862 7.438668 17.39564 8.026649 -1.417022      10.94353 
1 1 1 -37 8  14 o 15.29682 6.842216 17.84059       21.01455 -20.13490      27.97822 66.99620       31.83134 12.24643 6.080205 21.68049 9.036678 -9.434061      10.89176 
1 1 1 -37 8  15 o 13.17107 6.213419 3.434255       20.87472 16.17495       28.13789 -12.16130      31.13116 15.15695 7.169367 13.12150 6.496913 2.035454       9.675210 
1 1 1 -37 8  16 o 18.20855 7.465372 33.99360       21.24167 12.94169       28.31365 61.09786       32.12691 14.74566 7.036456 20.28942 8.785487 -5.543762      11.25595 
1 1 1 -37 8  17 o 15.33344 6.863193 19.57703       21.18164 4.818877       28.48226 37.83912       31.68355 13.92602 6.748617 17.13324 7.940741 -3.207222      10.42109 
1 1 1 -37 8  18 o 16.39731 7.411784 28.66683       25.39548 34.85603       29.20897 9.498000       51.40401 16.87415 7.749888 14.94810 7.536778 1.926044       10.81036 
1 1 1 -37 8  19 o 10.79806 5.334239 -17.57959      20.55651 -11.50954      28.80903 -23.87582      29.34085 12.57868 6.232006 11.91955 5.965869 0.6591349      8.627253 
1 1 1 -37 8  20 o 11.76558 5.726270 -7.261732      21.10200 -6.117002      29.11775 -8.528017      30.62471 12.92790 6.379312 12.92232 6.406322 0.5582809E-02  9.040828 
1 1 1 -37 8  21 f 11.65799 5.698123 -8.631264      21.53616 9.562408       29.38844 -29.73375      31.65069 14.01351 6.805970 11.83399 5.959946 2.179523       9.046667 
1 1 1 -37 9  1  o 29.01635 7.302652 67.74357       20.72211 37.14927       30.05598 95.46208       28.60854 18.06393 8.123176 30.98359 8.939759 -12.91966      12.07913 
1 1 1 -37 9  2  o 16.96597 7.057212 24.61128       19.35632 6.721139       28.10601 40.75181       26.69631 14.58445 6.973483 19.08678 8.131755 -4.502337      10.71237 
1 1 1 -37 9  3  o 17.22438 7.194084 26.20893       20.23491 13.18877       28.40144 39.63104       28.83649 15.24392 7.208219 18.55460 8.171760 -3.310682      10.89661 
1 1 1 -37 9  4  o 17.55693 7.288356 27.95319       20.58609 38.93499       28.89161 16.62800       29.33982 18.43808 8.147478 15.63464 7.372761 2.803435       10.98813 
1 1 1 -37 9  5  o 15.21306 6.784832 15.80577       20.50426 13.51977       29.18369 18.03431       28.81463 15.30719 7.258373 15.76535 7.394217 -0.4581633     10.36139 
1 1 1 -37 9  6  o 13.76262 6.458665 4.926954       22.03937 36.49379       29.26421 -36.44000      33.50025 18.02785 8.068285 12.37660 6.219734 5.651251       10.18736 
1 1 1 -37 9  7  f 18.43579 7.862384 35.72009       25.00163 46.79000       47.45103 31.46585       29.41605 17.68801 8.603739 17.32323 7.888071 0.3647804      11.67245 
1 1 1 -37 9  8  o 18.07438 7.421099 30.85206       21.02927 49.20311       30.34369 13.89233       29.17074 19.68582 8.531113 15.30148 7.255986 4.384333       11.19952 
1 1 1 -37 9  9  o 15.62711 6.896072 18.66300       20.63168 19.68200       29.48864 17.68589       28.87621 15.84963 7.448413 15.62673 7.352097 0.2228947      10.46576 
1 1 1 -37 9  10 o 14.13908 6.489537 9.924985       20.43580 -1.552397      28.39414 22.25935       29.43512 13.72869 6.672746 16.04049 7.507202 -2.311800      10.04408 
1 1 1 -37 9  11 o 11.94758 5.766657 -7.229216      20.28063 -5.933123      27.52886 -8.767559      29.99140 13.22664 6.459981 13.31523 6.551872 -0.8859539E-01 9.200999 
1 1 1 -37 9  12 o 17.68663 7.433402 30.97503       21.81013 15.66784       30.03216 48.05740       31.72583 15.25458 7.270266 18.84367 8.419408 -3.589096      11.12399 
1 1 1 -37 9  13 o 17.52962 7.352973 30.08943       21.27580 4.417005       28.50628 62.37424       31.96732 14.10449 6.814865 20.80829 8.882789 -6.703802      11.19582 
1 1 1 -37 9  14 o 17.15499 7.297194 28.75514       21.43867 35.52961       29.19339 20.82504       31.58541 17.34362 7.882045 15.62924 7.450804 1.714379       10.84625 
1 1 1 -37 9  15 o 13.51949 6.327628 6.779292       20.91588 28.74506       28.29314 -19.69098      31.05898 16.44516 7.579924 12.58621 6.274559 3.858946       9.839987 
1 1 1 -37 9  16 o 15.49687 6.902420 20.63655       21.14974 21.46391       28.49980 19.62241       31.55322 15.48718 7.291892 15.30824 7.338060 0.1789427      10.34499 
1 1 1 -37 9  17 o 14.02513 6.504589 11.47093       21.31336 -22.97794      28.77767 53.32423       31.71998 11.96392 5.976035 18.86094 8.423466 -6.897020      10.32801 
1 1 1 -37 9  18 o 14.48201 6.625611 15.46280       21.07328 18.23026       28.55273 12.15173       31.23131 14.92262 7.105558 14.45057 7.017748 0.4720478      9.986878 
1 1 1 -37 9  19 o 11.33043 5.558851 -11.97706      21.08680 -27.36143      28.18413 7.585031       31.78136 11.51913 5.777156 14.05400 6.880392 -2.534875      8.984171 
1 1 1 -37 9  20 o 10.78801 5.339904 -18.23311      20.97201 10.31112       28.21303 -53.48369      31.35260 14.06990 6.793622 10.83428 5.508294 3.235616       8.746119 
1 1 1 -37 10 1  o 15.06289 6.661660 15.34380       19.35413 4.672790       28.57868 24.38393       26.30430 14.39893 6.923356 16.50896 7.494508 -2.110028      10.20297 
1 1 1 -37 10 2  o 12.05682 5.772510 -5.502642      19.39662 44.55317       28.13555 -50.84045      26.77678 19.39868 8.308501 10.50359 5.312923 8.895082       9.861965 
1 1 1 -37 10 3  o 19.59500 7.563325 36.76598       20.55256 24.03109       28.75049 50.07508       29.39151 16.40520 7.589658 20.04625 8.536177 -3.641043      11.42231 
1 1 1 -37 10 4  o 20.64711 7.755169 41.73388       21.24151 32.84300       29.09925 51.87527       31.07837 17.48686 7.916184 19.93543 8.636546 -2.448566      11.71563 
1 1 1 -37 10 5  o 18.57650 7.700582 34.89118       22.93460 29.49557       30.21992 42.22000       35.22006 16.98326 7.830040 18.06130 8.371326 -1.078039      11.46249 
1 1 1 -37 10 6  o 15.46087 6.901241 17.67263       21.26131 1.544396       31.03560 31.93547       29.18567 14.28841 6.951942 17.29309 7.867645 -3.004677      10.49902 
1 1 1 -37 10 7  o 14.50121 6.603940 12.10450       20.62666 13.58183       29.81668 10.74864       28.56458 15.19037 7.240915 14.85665 7.083347 0.3337183      10.12940 
1 1 1 -37 10 8  o 11.76171 5.696128 -9.109852      20.20776 3.938852       28.79449 -21.77352      28.36648 14.20411 6.859619 12.27006 6.097065 1.934051       9.177612 
1 1 1 -37 10 9  o 12.53930 5.988558 -2.227476      20.59796 13.20341       29.44403 -17.01700      28.82563 15.03238 7.173901 12.60544 6.243231 2.426940       9.510141 
1 1 1 -37 10 10 o 10.07682 5.036026 -30.34849      20.55455 -37.90446      28.21043 -21.79777      30.01000 11.29342 5.679696 12.45836 6.203875 -1.164937      8.411124 
1 1 1 -37 10 11 o 16.26124 7.120728 23.66990       21.61177 23.18596       29.69957 24.21457       31.50785 15.95481 7.490635 16.03782 7.586181 -0.8300781E-01 10.66113 
1 1 1 -37 10 12 o 13.70499 6.409851 7.198973       21.39906 13.18912       29.41576 0.4654711      31.18758 14.90369 7.128292 13.97186 6.835032 0.9318323      9.875738 
1 1 1 -37 10 13 o 15.11143 6.825441 17.49362       21.48909 26.83487       29.35636 6.709984       31.54151 16.21476 7.558527 14.39105 7.003349 1.823704       10.30428 
1 1 1 -37 10 14 o 16.84805 7.308113 28.44000       22.30945 3.597218       30.74877 56.05328       32.41803 14.03945 6.850510 19.37518 8.592514 -5.335729      10.98912 
1 1 1 -37 10 15 o 20.32210 7.862688 45.35043       22.25059 47.07942       30.66185 43.42708       32.33929 18.33666 8.228570 17.62405 8.116261 0.7126141      11.55781 
1 1 1 -37 10 16 o 12.17462 5.886439 -4.314659      21.35868 -39.82658      28.94732 38.12181       31.64396 11.11392 5.610004 16.96507 7.887780 -5.851156      9.679318 
1 1 1 -37 10 17 o 14.07491 6.522871 12.65363       21.37384 22.12502       29.08471 1.532700       31.51580 15.28300 7.246654 13.67307 6.725664 1.609929       9.886786 
1 1 1 -37 10 18 o 22.32304 8.034449 55.25255       22.40382 55.99366       30.28910 54.35727       33.29075 19.19973 8.418073 18.28214 8.350322 0.9175930      11.85714 
1 1 1 -37 10 19 o 13.56796 6.380330 9.116461       21.69994 4.015979       29.11962 15.48606       32.54139 13.61333 6.647795 14.62914 7.117917 -1.015809      9.739503 
1 1 1 -37 11 1  o 16.48952 7.397320 25.15081       24.75821 24.15401       28.57787 28.15000       49.57082 16.24040 7.531984 16.34667 8.112024 -0.1062622     11.06959 
1 1 1 -37 11 2  o 12.94363 6.082916 2.117305       19.66976 7.499959       27.56221 -3.469284      28.07948 14.43408 6.902697 13.52197 6.586565 0.9121027      9.540968 
1 1 1 -37 11 3  o 13.27530 6.280221 2.506940       21.60579 -3.520421      28.18904 11.09000       33.63859 13.52418 6.590260 15.08499 7.315875 -1.560806      9.846499 
1 1 1 -37 11 4  o 17.86411 7.728362 33.85636       24.81588 13.74000       46.83048 41.71059       29.26212 15.61155 7.770117 18.45920 8.176103 -2.847656      11.27933 
1 1 1 -37 11 5  o 18.04184 7.401418 31.66836       20.89507 25.80745       29.88591 37.27305       29.22533 16.34084 7.620328 17.79964 8.006742 -1.458797      11.05339 
1 1 1 -37 11 6  o 13.28714 6.217793 4.527102       20.18129 -8.314229      28.61368 17.23818       28.46819 13.16028 6.460414 15.38614 7.257664 -2.225859      9.716514 
1 1 1 -37 11 7  o 17.81184 7.360357 30.86164       20.86219 20.79529       29.20322 41.35307       29.81344 15.74659 7.403840 18.21367 8.148114 -2.467084      11.00948 
1 1 1 -37 11 8  o 23.79308 8.017241 56.10950       22.10892 21.29789       30.62812 93.98384       31.94706 15.76881 7.465049 27.03768 9.609874 -11.26887      12.16867 
1 1 1 -37 11 9  o 36.07538 6.956272 100.8986       23.67337 87.44456       32.73227 115.6548       34.27972 25.00982 9.572661 30.16023 9.979327 -5.150414      13.82833 
1 1 1 -37 11 10 f 18.50424 7.643805 36.20868       22.48930 8.577679       31.09988 66.49448       32.55965 14.57192 7.059315 21.15901 8.996334 -6.587098      11.43538 
1 1 1 -37 11 11 o 14.17779 6.557378 11.14862       21.43990 26.46527       29.66722 -5.595785      31.01914 16.16441 7.555926 13.47241 6.635808 2.692003       10.05614 
1 1 1 -37 11 12 o 12.54737 6.024680 -2.012676      21.46910 -8.453912      29.78554 4.952409       30.97306 13.10264 6.462992 14.16254 6.902817 -1.059895      9.456170 
1 1 1 -37 11 13 o 13.32315 6.291877 5.270957       21.51039 32.94504       29.72196 -25.16586      31.17027 16.72131 7.729174 12.23676 6.128203 4.484557       9.863824 
1 1 1 -37 11 14 o 15.59662 7.000800 21.99568       22.21042 27.72040       30.62610 15.64465       32.25795 15.98883 7.537598 14.89137 7.208207 1.097460       10.42946 
1 1 1 -37 11 15 o 11.72331 5.721649 -9.034080      21.48464 -7.760576      29.42790 -10.48764      31.43948 12.92138 6.383001 12.95685 6.435033 -0.3546524E-01 9.063794 
1 1 1 -37 11 16 o 15.19813 6.915627 20.79062       22.56107 42.89361       31.73793 -1.787316      32.07711 17.25200 7.978891 13.45509 6.649865 3.796910       10.38669 
1 1 1 -37 11 17 o 11.20962 5.525821 -14.57774      21.65915 18.73876       29.77517 -52.01862      31.56441 14.85568 7.123027 10.92043 5.549578 3.935247       9.029692 
1 1 1 -37 11 18 f 14.22638 6.600732 14.38214       21.98354 5.200153       29.67882 25.54391       32.72239 13.70449 6.696410 15.38289 7.399500 -1.678401      9.979705 
1 1 1 -37 12 1  o 14.72604 6.782650 13.85445       22.59641 19.21000       35.15974 10.08585       29.49399 15.61295 7.549742 14.67749 7.051099 0.9354620      10.33037 
1 1 1 -37 12 2  o 11.21624 5.642593 -38.14884      27.95423 -38.14884      27.95423 0.000000       0.000000 11.21624 5.642593 ?        ?        ?              ?        
1 1 1 -37 12 3  o 11.68341 5.661229 -8.847636      20.02928 -17.03880      29.03469 -1.410432      27.66619 12.58060 6.237065 13.53520 6.580518 -0.9545994     9.066653 
1 1 1 -37 12 4  o 15.06707 6.718998 16.74235       20.10263 19.37057       28.15660 14.00975       28.71032 15.52974 7.291825 14.98825 7.133509 0.5414953      10.20087 
1 1 1 -37 12 5  o 12.81481 6.043785 1.836231       19.72708 -6.113220      27.62356 10.11000       28.18142 13.13651 6.427706 14.57250 6.971844 -1.435988      9.482721 
1 1 1 -37 12 6  o 21.36689 7.735777 45.52906       20.80668 33.45756       29.06420 58.21931       29.79977 17.12213 7.813525 20.70365 8.694381 -3.581526      11.68946 
1 1 1 -37 12 7  o 22.41258 7.896753 50.67643       21.53318 33.07701       29.66520 70.27661       31.30604 16.99056 7.805864 22.25364 9.086279 -5.263075      11.97881 
1 1 1 -37 12 8  o 14.01810 6.511061 9.896319       21.47815 -24.14481      29.14527 50.35523       31.77410 12.10084 6.039731 18.87577 8.430328 -6.774935      10.37057 
1 1 1 -37 12 9  o 13.75339 6.448246 7.896591       21.87984 1.425488       30.19870 15.04722       31.74469 13.86068 6.768857 15.02332 7.242098 -1.162644      9.912891 
1 1 1 -37 12 10 o 13.14285 6.229878 3.514933       21.46240 18.50323       29.38523 -13.62298      31.42187 15.23800 7.242249 12.93989 6.427732 2.298111       9.683280 
1 1 1 -37 12 11 o 20.05332 7.846609 44.28219       22.35674 29.32303       30.68178 61.21570       32.64377 16.24206 7.621687 19.89435 8.730401 -3.652296      11.58922 
1 1 1 -37 12 12 o 14.25622 6.606376 12.86554       21.91811 11.11149       30.45021 14.75147       31.57412 14.46689 7.002877 14.80143 7.156624 -0.3345404     10.01287 
1 1 1 -37 12 13 o 11.85157 5.778739 -8.261160      21.76745 -19.33598      30.24679 3.636658       31.35052 12.32527 6.151915 13.87582 6.801558 -1.550547      9.171000 
1 1 1 -37 12 14 o 13.59010 6.401467 8.648193       22.00726 -28.89308      30.32580 50.41372       31.98650 11.77694 5.918290 18.16143 8.252448 -6.384494      10.15525 
1 1 1 -37 12 15 o 13.39937 6.333204 7.822427       21.87919 19.25076       30.40771 -4.445709      31.50516 14.87451 7.149305 13.18464 6.529540 1.689871       9.682326 
1 1 1 -37 12 16 o 17.18191 7.424360 33.45208       22.84765 47.86138       30.97612 16.25941       33.83587 17.87344 8.121381 14.68469 7.169884 3.188745       10.83347 
1 1 1 -37 12 17 o 13.39178 6.350153 8.035933       22.33777 35.87582       30.53568 -24.01243      32.76249 16.37743 7.658835 12.18845 6.128621 4.188985       9.809065 
1 1 1 -37 13 1  o 46.11966 6.500220 158.1900       28.53117 143.8000       53.12011 164.0243       33.82417 23.08093 10.54439 42.34568 8.456623 -19.26475      13.51661 
1 1 1 -37 13 2  o 29.88572 8.057092 82.31708       24.10199 49.81000       37.87514 104.4388       31.24459 17.88008 8.414700 29.68991 9.506833 -11.80983      12.69595 
1 1 1 -37 13 3  o 14.34281 6.557552 12.79251       20.59727 3.325201       28.49260 23.15546       29.80990 13.88942 6.735351 15.78232 7.439088 -1.892906      10.03519 
1 1 1 -37 13 4  o 20.39718 8.264185 50.38268       25.66184 63.04819       29.85458 14.55000       50.21567 21.32495 8.807795 15.35697 7.703270 5.967980       11.70118 
1 1 1 -37 13 5  o 17.69925 7.369351 31.79861       21.13586 -6.084082      29.35286 72.59042       30.45906 13.22100 6.500820 22.82729 9.087668 -9.606284      11.17347 
1 1 1 -37 13 6  o 12.68683 6.035820 0.6955165      20.51389 -38.30338      28.62334 41.88120       29.41489 11.22131 5.653476 17.97020 8.062180 -6.748885      9.846853 
1 1 1 -37 13 7  o 18.93633 7.612690 38.19799       21.58848 38.23045       29.12781 38.15842       32.15804 17.47348 7.914108 17.13579 7.961853 0.3376904      11.22605 
1 1 1 -37 13 8  o 13.30742 6.284183 5.293077       21.45358 -16.20589      28.91109 31.63803       32.00401 12.43363 6.174442 16.40718 7.725718 -3.973545      9.889916 
1 1 1 -37 13 9  o 15.67558 6.984448 22.28028       21.67484 20.46416       29.26735 24.48622       32.25579 15.29668 7.257867 15.64713 7.478598 -0.3504477     10.42142 
1 1 1 -37 13 10 o 22.50813 8.069404 55.03588       22.57432 45.07548       30.46711 67.16029       33.61422 17.95419 8.116604 20.23527 8.870217 -2.281078      12.02331 
1 1 1 -37 13 11 o 17.06188 7.390530 31.63728       22.75077 13.43576       31.75725 50.82771       32.60853 14.59383 7.084832 18.20268 8.294931 -3.608848      10.90875 
1 1 1 -37 13 12 f 15.08784 6.861005 19.84167       22.16128 47.91748       30.78157 -10.37128      31.93163 18.04531 8.158032 12.94393 6.438071 5.101377       10.39241 
1 1 1 -37 13 13 o 17.19432 7.395311 33.20576       22.46598 48.59060       31.31174 16.88255       32.25252 17.88773 8.142458 14.69821 7.136514 3.189523       10.82726 
1 1 1 -37 13 14 o 15.36072 6.963339 22.51665       22.60966 58.61483       31.98852 -13.52011      31.96128 19.00645 8.475709 12.68575 6.330596 6.320702       10.57895 
1 1 1 -37 13 15 o 11.02878 5.467728 -18.47826      22.31387 -24.54185      30.45512 -11.45061      32.78689 11.94695 5.993642 12.89106 6.429727 -0.9441195     8.790058 
1 1 1 -37 13 16 o 21.86828 8.672079 67.78590       27.63358 38.48441       34.04168 124.4000       47.31821 16.18014 7.719444 21.18601 9.778486 -5.005869      12.45827 
1 1 1 -37 14 1  o 34.37592 6.863283 92.80724       22.28446 79.34482       30.90526 107.3870       32.16227 23.62245 9.230716 29.03036 9.668156 -5.407904      13.36710 
1 1 1 -37 14 2  o 19.60079 7.573709 40.10879       20.62521 28.32395       28.67303 52.74481       29.69047 16.17512 7.516371 19.32713 8.406700 -3.152012      11.27690 
1 1 1 -37 14 3  o 22.04967 7.793250 49.81967       20.98511 5.739506       28.90899 98.91933       30.51060 13.95983 6.772986 28.34235 9.416004 -14.38252      11.59890 
1 1 1 -37 14 4  o 21.46440 8.148053 52.78413       23.59069 69.19000       38.32488 42.77597       29.93356 19.35570 8.885042 17.80014 8.046256 1.555565       11.98692 
1 1 1 -37 14 5  o 11.71356 5.790485 -15.97328      24.37191 -30.49845      27.97284 29.80000       49.65717 11.42422 5.733183 15.71308 7.848965 -4.288864      9.719858 
1 1 1 -37 14 6  o 10.33463 5.146712 -24.64080      20.66982 -14.46805      28.15207 -36.53857      30.44555 12.36633 6.132701 11.49867 5.797925 0.8676548      8.439547 
1 1 1 -37 14 7  o 14.36502 6.606390 14.29206       21.32417 -2.588280      28.73541 34.98145       31.81271 13.22225 6.487443 16.56482 7.769243 -3.342570      10.12166 
1 1 1 -37 14 8  o 14.49973 6.647217 15.50487       21.35530 2.380906       28.80503 31.52169       31.82173 13.56199 6.620350 16.15190 7.635275 -2.589906      10.10576 
1 1 1 -37 14 9  o 14.85678 6.779592 18.24379       21.87955 33.27762       29.73404 0.4910935      32.31106 16.40921 7.634988 13.63601 6.727087 2.773201       10.17579 
1 1 1 -37 14 10 o 16.81904 7.305683 30.85397       22.35847 -5.827205      30.48134 73.57648       32.89583 13.03790 6.450702 21.01319 8.991592 -7.975298      11.06618 
1 1 1 -37 14 11 o 14.06154 6.543794 13.41034       21.85725 27.54637       29.90615 -2.798765      32.02406 15.61442 7.387378 13.29110 6.582410 2.323319       9.894517 
1 1 1 -37 14 12 o 14.74061 6.759089 18.32939       22.09607 13.48064       30.40568 23.75571       32.16567 14.34727 6.957475 15.20154 7.318387 -0.8542662     10.09778 
1 1 1 -37 14 13 o 13.95120 6.545489 12.16735       22.61107 21.07996       32.03379 3.317815       31.92026 15.00082 7.242108 13.68917 6.740428 1.311652       9.893508 
1 1 1 -37 14 14 o 18.31958 7.964766 46.59612       26.62518 38.96205       32.26510 62.89000       47.13758 16.39382 7.731013 16.76913 8.243990 -0.3753071     11.30186 
1 1 1 -37 15 1  o 11.66103 5.633909 -5.374745      19.47510 -30.79868      26.97045 22.32438       28.15138 11.15972 5.604455 15.29001 7.213799 -4.130292      9.135032 
1 1 1 -37 15 2  f 12.15920 5.829761 -1.484820      19.93792 -59.08606      27.31861 64.16489       29.16481 9.951983 5.067564 21.04840 8.700650 -11.09641      10.06884 
1 1 1 -37 15 3  o 13.81446 6.362840 11.57672       19.88641 20.22717       27.76235 2.460873       28.49939 15.06352 7.124034 13.49198 6.585945 1.571541       9.701882 
1 1 1 -37 15 4  o 21.05365 7.702469 46.99924       20.70363 41.89228       28.66241 52.57084       29.93792 17.57768 7.916149 18.83230 8.308901 -1.254616      11.47620 
1 1 1 -37 15 5  o 13.19435 6.303141 4.907854       22.85220 -25.44000      34.42593 28.81466       30.55502 12.39740 6.240073 15.82020 7.479463 -3.422807      9.740681 
1 1 1 -37 15 6  o 15.21526 6.832881 20.95292       21.18571 -13.54222      28.20233 65.63100       32.09618 12.29187 6.103062 20.04275 8.729013 -7.750877      10.65096 
1 1 1 -37 15 7  o 14.11327 6.715835 12.56782       25.42303 12.52124       29.05441 12.72000       52.51646 14.23983 6.880213 14.71436 7.442546 -0.4745331     10.13552 
1 1 1 -37 15 8  o 16.81169 7.280456 31.29591       22.06771 33.39166       29.98528 28.81954       32.59467 16.17471 7.572288 15.57833 7.465045 0.5963802      10.63327 
1 1 1 -37 15 9  o 13.23029 6.262133 7.062931       21.53360 -19.08512      29.12505 38.59076       31.98115 12.02527 6.007489 16.55609 7.772963 -4.530824      9.823894 
1 1 1 -37 15 10 o 22.69801 8.104015 58.06855       22.74394 41.34481       31.09638 77.30584       33.35148 16.96910 7.865413 21.20684 9.063533 -4.237734      12.00051 
1 1 1 -37 15 11 o 11.47714 5.617507 -9.453347      21.14743 -18.53717      29.01280 0.8435264      30.88929 12.02234 6.004476 13.39507 6.602358 -1.372727      8.924397 
1 1 1 -37 15 12 o 15.37619 7.074963 25.01158       24.49911 8.954438       30.50418 54.19000       41.12029 13.81307 6.757859 16.70273 8.097664 -2.889656      10.54708 
1 1 1 -37 16 1  o 17.42809 7.222520 32.40726       20.16759 35.74147       28.66459 29.13890       28.38009 16.58162 7.638021 15.83216 7.397205 0.7494650      10.63287 
1 1 1 -37 16 2  f 12.39593 5.906293 1.677203       19.79373 -1.924974      27.46531 5.569899       28.55138 12.94150 6.348214 13.60258 6.629355 -0.6610775     9.178680 
1 1 1 -37 16 3  o 18.75832 7.474244 38.80504       20.62120 8.412526       28.50413 72.17856       29.86932 13.82695 6.712446 21.85492 8.893407 -8.027974      11.14225 
1 1 1 -37 16 4  o 17.82677 7.347836 34.88430       20.72055 18.35846       28.18447 54.32204       30.56688 14.70540 7.018110 18.67064 8.308140 -3.965248      10.87562 
1 1 1 -37 16 5  o 15.85513 7.001115 25.36527       21.29698 7.609358       29.08901 45.87777       31.26559 13.79341 6.715449 17.43853 8.012399 -3.645116      10.45446 
1 1 1 -37 16 6  o 10.95843 5.398559 -14.40570      20.56247 -23.98241      27.56470 -2.390234      30.87559 11.53347 5.774080 13.20383 6.525399 -1.670359      8.713256 
1 1 1 -37 16 7  o 15.20324 6.970060 22.14565       23.48379 -8.294000      34.71627 47.82456       31.88612 13.14918 6.567412 17.55586 8.075526 -4.406685      10.40889 
1 1 1 -37 16 8  o 14.09833 6.720249 13.65178       25.68059 10.18289       29.51206 24.47000       52.11726 13.92317 6.775351 14.92220 7.531732 -0.9990263     10.13076 
1 1 1 -37 16 9  o 11.17829 5.560155 -18.34803      23.82885 -23.93053      28.93829 -6.591000      41.99596 11.61596 5.829669 13.48695 6.801589 -1.870984      8.958050 
1 1 1 -37 17 1  o 13.02532 6.192633 6.798641       21.51986 -0.5921427     27.09774 19.42000       35.41122 12.83413 6.297593 14.56164 7.156084 -1.727509      9.532535 
1 1 1 -37 17 2  o 13.07035 6.226270 6.870222       21.97180 16.40564       27.89318 -8.720000      35.66599 14.28867 6.862431 13.00995 6.521153 1.278718       9.466700 
1 1 1 -37 17 3  o 13.53184 6.499208 9.445465       25.02430 -20.47000      34.54425 42.48000       36.30045 12.37178 6.230232 16.16143 7.778989 -3.789651      9.966367 
1 1 1 -36 0  1  o 43.19596 14.88865 196.9000       56.66959 196.9000       56.66959 196.9000       56.66959 43.19596 14.88865 43.19596 14.88865 0.000000       0.000000 
1 1 1 -36 0  2  o 10.86031 7.898959 -49.64000      47.74771 -49.64000      47.74771 -49.64000      47.74771 10.86031 7.898959 10.86031 7.898959 -0.000000      0.000000 
1 1 1 -36 0  3  o 14.72001 10.17215 19.90000       49.59723 19.90000       49.59723 19.90000       49.59723 14.72001 10.17215 14.72001 10.17215 0.000000       0.000000 
1 1 1 -36 0  4  o 31.21520 15.15428 141.7000       54.20784 141.7000       54.20784 141.7000       54.20784 31.21520 15.15428 31.21520 15.15428 0.000000       0.000000 
1 1 1 -36 0  5  o 15.14008 10.38676 25.51000       49.53675 25.51000       49.53675 25.51000       49.53675 15.14008 10.38676 15.14008 10.38676 -0.000000      0.000000 
1 1 1 -36 0  6  o 15.63912 10.61800 31.89000       48.94363 31.89000       48.94363 31.89000       48.94363 15.63912 10.61800 15.63912 10.61800 0.000000       0.000000 
1 1 1 -36 0  7  o 14.38475 9.963531 16.66000       48.27791 16.66000       48.27791 16.66000       48.27791 14.38475 9.963531 14.38475 9.963531 0.000000       0.000000 
1 1 1 -36 0  8  o 13.86240 9.685295 9.500000       48.33769 9.500000       48.33769 9.500000       48.33769 13.86240 9.685295 13.86240 9.685295 -0.000000      0.000000 
1 1 1 -36 0  9  o 15.01768 10.26871 25.54000       47.52917 25.54000       47.52917 25.54000       47.52917 15.01768 10.26871 15.01768 10.26871 0.000000       0.000000 
1 1 1 -36 0  10 o 10.29925 7.518085 -57.21000      45.66478 -57.21000      45.66478 -57.21000      45.66478 10.29925 7.518085 10.29925 7.518085 0.000000       0.000000 
1 1 1 -36 0  11 o 16.14875 9.751422 31.95448       28.19278 31.95448       28.19278 31.95448       28.19278 16.14875 9.751422 16.14875 9.751422 0.000000       0.000000 
1 1 1 -36 0  12 o 13.14908 8.666158 14.28020       28.56163 14.28020       28.56163 14.28020       28.56163 13.14908 8.666158 13.14908 8.666158 -0.000000      0.000000 
1 1 1 -36 0  13 o 11.08197 7.659802 -2.912818      28.16181 -2.912818      28.16181 -2.912818      28.16181 11.08197 7.659802 11.08197 7.659802 0.000000       0.000000 
1 1 1 -36 0  14 o 11.55363 7.903966 1.656462       28.23530 1.656462       28.23530 1.656462       28.23530 11.55363 7.903966 11.55363 7.903966 -0.000000      0.000000 
1 1 1 -36 0  15 o 10.80599 7.648746 -14.66000      33.32768 -14.66000      33.32768 -14.66000      33.32768 10.80599 7.648746 10.80599 7.648746 -0.000000      0.000000 
1 1 1 -36 0  16 o 13.18894 8.948264 11.79000       34.63806 11.79000       34.63806 11.79000       34.63806 13.18894 8.948264 13.18894 8.948264 -0.000000      0.000000 
1 1 1 -36 0  17 o 9.109635 6.617280 -42.40000      32.91974 -42.40000      32.91974 -42.40000      32.91974 9.109635 6.617280 9.109635 6.617280 -0.000000      0.000000 
1 1 1 -36 0  18 o 10.61248 7.564196 -19.13000      34.68293 -19.13000      34.68293 -19.13000      34.68293 10.61248 7.564196 10.61248 7.564196 0.000000       0.000000 
1 1 1 -36 0  19 o 10.53195 7.510100 -19.50000      34.33140 -19.50000      34.33140 -19.50000      34.33140 10.53195 7.510100 10.53195 7.510100 0.000000       0.000000 
1 1 1 -36 0  20 o 10.66290 7.748518 -43.68000      45.37545 -43.68000      45.37545 -43.68000      45.37545 10.66290 7.748518 10.66290 7.748518 0.000000       0.000000 
1 1 1 -36 0  21 o 17.16190 10.28897 40.00309       30.93706 40.00309       30.93706 40.00309       30.93706 17.16190 10.28897 17.16190 10.28897 0.000000       0.000000 
1 1 1 -36 0  22 o 14.14384 9.207023 23.15249       30.79197 23.15249       30.79197 23.15249       30.79197 14.14384 9.207023 14.14384 9.207023 0.000000       0.000000 
1 1 1 -36 0  23 o 10.69351 7.501121 -7.209572      29.84286 -7.209572      29.84286 -7.209572      29.84286 10.69351 7.501121 10.69351 7.501121 0.000000       0.000000 
1 1 1 -36 0  24 o 26.87712 11.87364 81.96575       32.82794 81.96575       32.82794 81.96575       32.82794 26.87712 11.87364 26.87712 11.87364 -0.000000      0.000000 
1 1 1 -36 0  25 o 12.85989 8.644513 15.29753       30.90579 15.29753       30.90579 15.29753       30.90579 12.85989 8.644513 12.85989 8.644513 -0.000000      0.000000 
1 1 1 -36 0  26 o 10.63128 7.475524 -6.096259      30.18580 -6.096259      30.18580 -6.096259      30.18580 10.63128 7.475524 10.63128 7.475524 -0.000000      0.000000 
1 1 1 -36 0  27 o 9.477805 6.796860 -21.32591      29.76120 -21.32591      29.76120 -21.32591      29.76120 9.477805 6.796860 9.477805 6.796860 -0.000000      0.000000 
1 1 1 -36 1  1  o 20.33401 9.036444 49.20238       36.04056 47.03000       49.95790 51.56000       52.04420 19.11385 9.180904 19.32806 9.306026 -0.2142124     13.07253 
1 1 1 -36 1  2  o 34.62063 10.38728 129.3864       37.99319 92.32000       52.82753 169.1000       54.68139 22.36621 10.32637 30.69822 12.19085 -8.332006      15.97657 
1 1 1 -36 1  3  o 19.55676 8.808182 42.70468       35.49464 56.66000       50.15275 28.70000       50.24137 19.77758 9.417270 17.93443 8.752281 1.843157       12.85641 
1 1 1 -36 1  4  o 18.67521 8.559199 35.21361       35.37647 44.89000       50.00767 25.52000       50.05213 18.95068 9.123766 17.74521 8.676257 1.205463       12.59049 
1 1 1 -36 1  5  o 19.14933 8.704561 39.59183       35.62809 13.87000       50.16092 65.78000       50.61359 17.09243 8.422613 20.40532 9.640949 -3.312891      12.80189 
1 1 1 -36 1  6  o 16.68350 7.901540 16.27422       34.38644 44.29000       48.34980 -12.40000      48.91467 18.90932 9.069357 15.73903 7.850732 3.170286       11.99530 
1 1 1 -36 1  7  o 17.43454 8.165008 24.23442       34.91556 35.23000       48.31988 12.22000       50.50895 18.25365 8.832446 16.95319 8.372380 1.300459       12.17000 
1 1 1 -36 1  8  o 17.63736 8.208446 26.50721       34.40153 -2.882000      47.71193 58.33000       49.64804 16.05556 7.965995 19.77604 9.403247 -3.720484      12.32388 
1 1 1 -36 1  9  o 18.30220 8.404522 32.83569       34.33461 34.72000       48.54757 30.95000       48.56536 18.15084 8.799469 17.91361 8.711358 0.2372379      12.38218 
1 1 1 -36 1  10 o 22.00875 9.339559 61.14558       34.97557 35.76000       49.04282 87.42000       49.89400 18.20176 8.828875 22.15061 10.15680 -3.948847      13.45770 
1 1 1 -36 1  11 o 17.71431 7.744455 26.36138       25.47259 -16.88000      48.81241 42.54393       29.86098 15.45579 7.729714 19.98853 8.560268 -4.532740      11.53372 
1 1 1 -36 1  12 o 15.94112 6.919785 16.53710       20.03162 -9.625087      27.64096 45.47660       29.07111 13.63493 6.617087 20.61726 8.617923 -6.982330      10.86529 
1 1 1 -36 1  13 o 16.33746 6.978405 18.71055       19.75070 -3.330837      27.10345 43.66835       28.84086 14.09013 6.766428 20.29205 8.539351 -6.201921      10.89519 
1 1 1 -36 1  14 o 17.75722 7.354788 25.66063       20.89676 40.43586       30.31834 12.28945       28.84186 19.52214 8.493282 15.85257 7.423101 3.669573       11.27999 
1 1 1 -36 1  15 o 25.71017 8.262364 59.49722       23.58459 43.88000       38.06981 69.22404       30.04448 19.20829 8.831342 25.03756 9.258436 -5.829269      12.79497 
1 1 1 -36 1  16 o 23.30933 8.662264 55.48566       26.35934 62.09000       37.34687 48.93000       37.20900 21.45070 9.377679 19.80024 8.958665 1.650459       12.96914 
1 1 1 -36 1  17 o 15.05056 6.975455 9.598446       24.44841 38.15000       35.06900 -17.40000      34.10184 18.58223 8.518574 13.86931 6.854940 4.712914       10.93418 
1 1 1 -36 1  18 o 12.31032 5.950267 -10.59666      21.78385 -3.603104      28.01068 -21.30000      34.65246 14.03531 6.775019 13.66829 6.782798 0.3670225      9.586825 
1 1 1 -36 1  19 o 13.83945 6.612355 -1.279191      25.17034 -5.612000      46.34690 0.5333242      29.97621 15.50880 7.720763 14.60749 7.040599 0.9013147      10.44893 
1 1 1 -36 1  20 o 17.70799 7.587727 27.47055       23.48475 34.81000       37.00219 22.51970       30.39031 18.01323 8.426109 16.82914 7.791847 1.184093       11.47659 
1 1 1 -36 1  21 f 15.17949 7.001885 11.58440       24.20827 -11.53710      28.38494 73.27000       46.36304 13.38562 6.542366 20.66673 9.587847 -7.281109      11.60730 
1 1 1 -36 1  22 o 15.30440 6.824739 14.99478       20.73959 3.971577       28.13949 28.10345       30.68611 14.54448 6.960653 17.21073 7.918716 -2.666253      10.54309 
1 1 1 -36 1  23 o 12.45985 5.975554 -5.786235      20.97983 -43.29925      29.32332 33.55454       30.02919 11.45586 5.765236 17.80683 8.053246 -6.350977      9.904177 
1 1 1 -36 1  24 o 15.60846 6.972991 17.76760       21.75392 17.27155       31.08207 18.24391       30.45683 15.78437 7.486419 15.86524 7.490707 -0.8087063E-01 10.59043 
1 1 1 -36 1  25 o 17.82648 7.490458 30.89890       22.13828 34.28798       31.55535 27.61395       31.06688 17.39671 8.013633 16.66892 7.772029 0.7277832      11.16346 
1 1 1 -36 1  26 o 15.29070 6.902169 17.57934       21.93560 13.68809       30.98448 21.48931       31.05890 15.11084 7.250861 15.83535 7.502688 -0.7245140     10.43385 
1 1 1 -36 1  27 o 12.92188 6.160598 0.2130933      21.60181 -1.065362      30.26250 1.541237       30.84499 13.81486 6.752829 14.05894 6.860280 -0.2440758     9.626221 
1 1 1 -36 2  1  o 19.21231 8.752886 40.26486       36.28044 -0.1469000     49.41098 87.54000       53.44241 16.38241 8.124417 21.86015 10.19286 -5.477739      13.03459 
1 1 1 -36 2  2  o 20.84215 9.199656 53.86872       36.73888 10.10000       50.14227 104.6000       53.98336 16.91732 8.352294 23.25687 10.62665 -6.339554      13.51616 
1 1 1 -36 2  3  o 19.10023 8.672697 38.82022       35.24775 42.51000       49.54882 35.04000       50.15236 18.80517 9.060812 18.31196 8.892987 0.4932156      12.69581 
1 1 1 -36 2  4  o 28.93400 10.35005 101.8410       37.11585 64.18000       51.72958 141.8000       53.28443 20.18898 9.599236 27.53302 11.59794 -7.344038      15.05515 
1 1 1 -36 2  5  o 20.04640 8.928428 46.88435       35.38373 65.43000       49.25067 27.10000       50.86886 20.47284 9.622583 17.79743 8.711294 2.675411       12.98001 
1 1 1 -36 2  6  o 14.72182 7.189404 -7.397376      34.06795 -22.71000      47.25558 9.174000       49.15952 15.15187 7.581838 16.76582 8.276102 -1.613948      11.22400 
1 1 1 -36 2  7  o 20.44678 9.030390 50.54111       35.44846 41.62000       49.23880 60.14000       51.07500 18.63342 8.991614 19.82248 9.456718 -1.189064      13.04909 
1 1 1 -36 2  8  o 17.53074 8.184140 25.62611       34.62405 0.3760000      47.72668 53.68000       50.30673 16.20328 8.026635 19.37359 9.281154 -3.170303      12.27056 
1 1 1 -36 2  9  o 18.34685 8.449047 33.51529       35.04450 -24.53000      48.08065 99.30000       51.18578 15.08687 7.563521 23.04823 10.45972 -7.961365      12.90785 
1 1 1 -36 2  10 o 11.37406 5.644223 -29.64850      23.99197 -13.79000      46.24258 -35.48969      28.06478 15.40986 7.678053 11.90566 5.939880 3.504199       9.707454 
1 1 1 -36 2  11 o 17.74981 7.729979 26.53559       25.16694 21.85000       48.00498 28.31151       29.55392 17.34490 8.484025 17.87836 8.046081 -0.5334568     11.69265 
1 1 1 -36 2  12 o 13.71659 6.350838 2.970787       20.19015 -15.03194      28.42264 21.30810       28.68554 13.32847 6.521288 16.95384 7.746533 -3.625374      10.12601 
1 1 1 -36 2  13 o 17.57095 7.233962 24.52739       20.05244 24.91382       27.91746 24.11555       28.82097 17.39935 7.826205 17.28588 7.846271 0.1134644      11.08212 
1 1 1 -36 2  14 o 11.27089 5.526071 -20.03609      20.73466 -0.1990000     31.46798 -35.25715      27.56464 14.89157 7.186517 11.79204 5.883742 3.099525       9.287866 
1 1 1 -36 2  15 o 20.50884 7.914692 38.73500       22.50372 28.99000       35.46193 45.30514       29.11782 17.76209 8.288983 20.48214 8.597395 -2.720049      11.94246 
1 1 1 -36 2  16 o 21.13555 8.458737 46.11271       26.52880 31.37000       37.92378 60.24000       37.12379 17.90044 8.422981 21.22241 9.311804 -3.321970      12.55613 
1 1 1 -36 2  17 o 16.67697 7.686066 20.75215       29.08159 1.769000       50.23676 30.32000       35.66520 16.11809 8.026384 17.70119 8.277647 -1.583094      11.53006 
1 1 1 -36 2  18 o 13.15064 6.281850 -4.128130      22.69022 -14.46889      28.35042 14.30000       37.84634 13.20243 6.470746 16.27750 7.861742 -3.075073      10.18222 
1 1 1 -36 2  19 o 16.76833 7.340718 22.16504       22.95350 3.922530       28.16146 58.27000       39.61834 14.72020 7.022425 20.22043 9.186585 -5.500229      11.56321 
1 1 1 -36 2  20 o 13.25697 6.221218 0.3809143      20.44651 -2.594190      27.70931 3.937125       30.29482 14.06364 6.776125 14.93580 7.167614 -0.8721581     9.863598 
1 1 1 -36 2  21 o 15.16277 6.774131 13.54874       20.53283 1.302523       28.49525 26.77416       29.61259 14.45326 6.940077 17.25488 7.878989 -2.801611      10.49967 
1 1 1 -36 2  22 o 11.05785 5.444232 -20.65162      20.80628 -23.96358      28.67683 -16.97024      30.23391 12.45181 6.177605 13.14665 6.489722 -0.6948433     8.959871 
1 1 1 -36 2  23 o 12.06174 5.921730 -16.74709      24.05978 -2.466884      28.33616 -53.64000      45.54548 13.90614 6.737155 13.27274 6.736892 0.6333971      9.527591 
1 1 1 -36 2  24 o 20.68612 7.836724 42.26290       21.79589 49.58593       30.19276 34.29372       31.49665 19.88645 8.563444 17.58819 8.066660 2.298265       11.76450 
1 1 1 -36 2  25 o 10.64015 5.273417 -23.70992      20.69537 -39.43754      29.26951 -7.986238      29.26584 11.48602 5.777717 13.36753 6.556334 -1.881513      8.738853 
1 1 1 -36 2  26 o 12.85496 6.134691 -0.4938400     21.52992 -8.656364      31.17908 6.945515       29.76587 13.40597 6.612579 14.44123 6.974190 -1.035266      9.610699 
1 1 1 -36 2  27 o 18.49702 7.647725 35.87656       22.53997 13.85235       31.98379 57.60725       31.76995 15.09947 7.276424 20.11320 8.722757 -5.013721      11.35926 
1 1 1 -36 3  1  o 17.93854 8.369789 28.72693       36.12993 28.44000       49.64581 29.05000       52.67996 17.88723 8.722878 17.92665 8.793238 -0.3941727E-01 12.38586 
1 1 1 -36 3  2  o 32.30092 10.56023 121.1908       38.43073 116.2000       52.83001 126.8000       56.00760 24.63205 10.94390 24.84014 11.13608 -0.2080822     15.61349 
1 1 1 -36 3  3  o 18.39365 8.531184 33.40511       36.67233 46.15000       50.91027 19.66000       52.87026 18.95614 9.146258 17.42753 8.598990 1.528616       12.55375 
1 1 1 -36 3  4  f 17.04245 8.022040 20.07559       34.45238 6.195000       47.80198 35.08000       49.69944 16.57148 8.176577 18.25883 8.863837 -1.687351      12.05919 
1 1 1 -36 3  5  o 17.37970 8.129874 23.66875       34.44819 25.19000       47.49374 21.98000       50.04013 17.62595 8.581236 17.46639 8.568008 0.1595631      12.12635 
1 1 1 -36 3  6  o 14.69332 7.179154 -7.577216      34.09736 -7.186000      46.99744 -8.012000      49.54528 15.81446 7.856547 15.93127 7.939396 -0.1168165     11.16957 
1 1 1 -36 3  7  o 15.59079 7.531446 3.868813       34.77198 -52.11000      47.51435 68.42000       51.02290 14.01074 7.085794 20.40744 9.653292 -6.396705      11.97474 
1 1 1 -36 3  8  o 21.53215 9.306681 59.33267       35.92116 78.25000       49.91424 39.01000       51.73506 21.31063 9.907641 18.35407 8.940310 2.956564       13.34506 
1 1 1 -36 3  9  f 14.58446 6.853296 4.075779       24.95578 22.55000       47.98892 -2.772183      29.21720 17.38841 8.500469 14.45009 6.961249 2.938320       10.98713 
1 1 1 -36 3  10 o 14.52522 6.803367 4.381891       24.25413 34.10000       47.47205 -6.115741      28.21455 18.10095 8.757609 14.01898 6.775103 4.081968       11.07239 
1 1 1 -36 3  11 o 17.43010 7.599932 24.53967       24.38988 60.32000       47.28733 11.57101       28.46887 20.05757 9.427849 15.78375 7.385717 4.273820       11.97636 
1 1 1 -36 3  12 o 14.63593 6.833720 5.528765       24.15496 -11.44000      46.96691 11.63111       28.16537 15.54106 7.742545 15.75000 7.362206 -0.2089396     10.68406 
1 1 1 -36 3  13 o 13.54693 6.363525 0.1313798      21.48350 -13.40000      33.05484 10.02753       28.26814 14.09845 6.925541 15.56060 7.306296 -1.462152      10.06703 
1 1 1 -36 3  14 o 12.80775 6.114648 -6.043076      21.43519 -18.01000      33.49410 2.257820       27.89584 13.85206 6.836579 14.71147 7.010161 -0.8594065     9.791893 
1 1 1 -36 3  15 o 14.81121 6.869170 7.587712       23.76971 -24.89000      32.61921 44.36000       34.70891 13.29421 6.594335 19.53605 8.761736 -6.241842      10.96601 
1 1 1 -36 3  16 o 19.27080 8.434736 39.64270       30.29314 0.000000       0.000000 39.64270       30.29314 ?        ?        19.27080 8.434736 ?              ?        
1 1 1 -36 3  17 o 13.07493 6.248490 -4.636647      22.50355 -9.918786      27.88253 5.233000       38.11343 13.49564 6.571427 15.66863 7.641382 -2.172988      10.07841 
1 1 1 -36 3  18 o 24.45816 8.373284 57.32816       24.12632 56.61514       30.09757 58.61000       40.35474 21.98120 8.933806 20.18504 9.209601 1.796164       12.83081 
1 1 1 -36 3  19 o 13.62455 6.422609 0.9621363      22.22939 8.582935       27.53183 -13.31000      37.67727 15.12632 7.135779 14.42887 7.144806 0.6974478      10.09790 
1 1 1 -36 3  20 o 13.82121 6.401336 4.505467       20.53712 1.717963       27.89001 7.807250       30.35394 14.47815 6.929129 15.28722 7.292302 -0.8090725     10.05935 
1 1 1 -36 3  21 o 17.65303 7.313201 26.71177       20.66722 23.05544       28.27603 30.90550       30.28279 16.74519 7.666223 17.69672 8.036714 -0.9515362     11.10674 
1 1 1 -36 3  22 f 13.69293 6.359370 4.798409       20.48088 -30.35961      28.55791 42.03162       29.38864 12.03121 6.000837 19.17039 8.350853 -7.139180      10.28333 
1 1 1 -36 3  23 o 16.77983 7.396313 24.44273       23.66967 55.73000       37.40034 3.538567       30.57089 19.61202 8.916272 14.61270 7.059663 4.999327       11.37272 
1 1 1 -36 3  24 o 12.19967 5.984152 -14.72076      24.40005 -7.360554      28.97404 -32.67000      45.24671 13.47126 6.589689 13.83031 6.985096 -0.3590536     9.602894 
1 1 1 -36 3  25 o 11.46761 5.601733 -13.57517      20.72343 -12.75556      28.84911 -14.44900      29.78815 12.95255 6.383546 12.96497 6.407740 -0.1241779E-01 9.044822 
1 1 1 -36 3  26 o 13.08674 6.194456 2.331722       21.07494 -11.78189      28.93068 18.28922       30.76252 12.90426 6.365973 15.45446 7.363459 -2.550200      9.733764 
1 1 1 -36 3  27 o 16.13256 7.121133 23.18527       22.01510 6.512518       30.11828 42.31360       32.26006 14.38298 6.962821 17.92438 8.199458 -3.541399      10.75695 
1 1 1 -36 4  1  o 19.45090 8.815384 43.07369       36.20982 69.69000       49.71099 12.99000       52.84988 20.72429 9.717497 17.06413 8.451900 3.660160       12.87883 
1 1 1 -36 4  2  o 18.71460 8.583154 36.39986       35.65736 3.641000       48.24702 75.83000       52.93225 16.43854 8.130046 20.85024 9.853609 -4.411694      12.77463 
1 1 1 -36 4  3  o 22.31089 9.476602 64.15201       36.06680 6.418000       48.27349 137.1000       54.26247 16.57405 8.185120 26.37787 11.41981 -9.803812      14.05020 
1 1 1 -36 4  4  o 26.48272 10.16667 90.27649       36.99478 71.57000       50.20593 112.5000       54.72240 20.78507 9.752290 23.61899 10.75634 -2.833914      14.51916 
1 1 1 -36 4  5  o 25.93720 10.03728 85.88599       36.26594 137.3000       51.24006 34.28000       51.33563 27.54603 11.47213 18.12129 8.844258 9.424742       14.48553 
1 1 1 -36 4  6  o 18.76871 8.559319 37.03348       34.80391 2.545000       48.08574 74.98000       50.43885 16.32297 8.080727 20.97995 9.821604 -4.656981      12.71857 
1 1 1 -36 4  7  o 24.28632 9.841607 77.50917       36.40030 90.77000       50.15427 62.75000       52.91194 22.41183 10.24141 19.79515 9.492470 2.616682       13.96400 
1 1 1 -36 4  8  o 23.50176 8.657048 55.45916       26.22461 87.44000       49.86107 43.22926       30.83386 22.13490 10.15103 19.95263 8.623239 2.182272       13.31930 
1 1 1 -36 4  9  o 13.01751 6.280001 -9.259901      23.98082 4.580000       45.60622 -14.54884      28.19304 16.28456 8.025784 13.32621 6.514801 2.958347       10.33711 
1 1 1 -36 4  10 o 16.06131 7.262963 15.90547       24.41618 14.53000       46.53668 16.42792       28.68076 16.87613 8.275216 16.34934 7.569639 0.5267868      11.21511 
1 1 1 -36 4  11 o 13.22531 6.351311 -6.878538      23.88397 -29.71000      46.12434 1.486260       27.91843 14.68369 7.367958 14.66721 6.995735 0.1648235E-01  10.16007 
1 1 1 -36 4  12 o 17.83999 8.011150 28.33504       29.11773 0.000000       0.000000 28.33504       29.11773 ?        ?        17.83999 8.011150 ?              ?        
1 1 1 -36 4  13 o 17.56298 7.476492 25.23177       22.53528 19.34000       35.70166 29.13395       29.05486 16.84926 8.000763 17.93875 8.033076 -1.089481      11.33766 
1 1 1 -36 4  14 o 18.78586 7.973164 32.99730       25.49707 19.78000       35.82800 46.56000       36.29311 16.88067 8.015453 19.65266 8.873997 -2.771990      11.95806 
1 1 1 -36 4  15 o 20.87363 8.922766 51.62247       32.33428 0.000000       0.000000 51.62247       32.33428 ?        ?        20.87363 8.922766 ?              ?        
1 1 1 -36 4  16 f 15.74447 6.922068 16.14698       20.60787 43.64394       27.47436 -19.22280      31.16027 20.29511 8.422020 13.34836 6.589125 6.946753       10.69331 
1 1 1 -36 4  17 o 13.09460 6.213698 -2.596427      21.46302 1.444975       26.21688 -10.81000      37.37499 14.27274 6.799651 14.57640 7.199236 -0.3036613     9.902740 
1 1 1 -36 4  18 o 12.35494 5.956206 -9.323842      21.48149 -7.072027      26.25874 -13.88000      37.35141 13.45260 6.509773 14.37453 7.117176 -0.9219360     9.645276 
1 1 1 -36 4  19 o 14.51293 6.734949 7.288982       22.90304 2.461296       28.42145 16.23000       38.67855 14.60298 6.990474 16.41052 7.931302 -1.807541      10.57224 
1 1 1 -36 4  20 o 16.31885 7.256953 19.63689       23.28304 23.81621       28.85617 11.84000       39.41367 16.93911 7.751040 16.09951 7.833385 0.8396034      11.02001 
1 1 1 -36 4  21 o 12.85143 6.091490 -2.157278      20.51533 2.196129       28.19249 -7.057179      29.90973 14.41571 6.917086 13.84096 6.754256 0.5747461      9.667784 
1 1 1 -36 4  22 o 13.96354 6.451101 6.713434       20.66614 -5.773378      28.92533 19.73388       29.53694 13.73583 6.689460 16.17546 7.553943 -2.439632      10.09014 
1 1 1 -36 4  23 o 21.87709 7.888040 46.13605       21.60618 27.67026       30.20088 65.49599       30.92343 16.94756 7.818594 22.58178 9.099571 -5.634226      11.99719 
1 1 1 -36 4  24 o 16.32646 7.290703 22.89955       23.75518 45.60000       37.76978 8.042959       30.55531 18.17060 8.504047 14.81751 7.133338 3.353086       11.09970 
1 1 1 -36 4  25 o 11.91714 5.870978 -16.69458      24.32293 -18.47284      28.65441 -12.11000      46.00914 12.51224 6.201934 14.46662 7.272602 -1.954374      9.557966 
1 1 1 -36 4  26 o 14.43559 6.652584 12.38778       21.78111 9.953781       29.88921 15.14405       31.80638 14.63854 7.049203 15.16191 7.293714 -0.5233641     10.14345 
1 1 1 -36 4  27 o 11.58818 5.657765 -11.49195      21.06288 -31.77995      28.64124 12.40305       31.08320 11.59948 5.818354 14.82727 7.152246 -3.227785      9.219972 
1 1 1 -36 5  1  o 15.81686 7.620257 6.462098       35.02658 7.801000       47.65578 4.889000       51.65580 16.58767 8.180685 16.59976 8.244995 -0.1209259E-01 11.61480 
1 1 1 -36 5  2  o 22.23020 9.468174 64.18433       36.17340 62.99000       49.03763 65.61000       53.57706 20.16904 9.517299 19.98026 9.573463 0.1887798      13.49927 
1 1 1 -36 5  3  o 24.70058 9.947741 80.78546       36.93414 97.88000       50.59904 61.29000       54.03566 23.05967 10.43885 19.65111 9.466835 3.408554       14.09222 
1 1 1 -36 5  4  o 14.62004 7.167043 -9.446970      34.83612 0.4372000      46.93606 -21.57000      51.98070 16.15076 7.993329 15.48686 7.777972 0.6638994      11.15303 
1 1 1 -36 5  5  o 14.12460 6.970526 -17.00010      34.79506 -13.79000      47.49180 -20.72000      51.12400 15.49582 7.730403 15.45445 7.755029 0.4136848E-01  10.94987 
1 1 1 -36 5  6  o 16.64107 7.504282 19.45899       25.85540 53.30000       48.69018 6.168927       30.51289 19.39716 9.248105 15.39947 7.336212 3.997683       11.80455 
1 1 1 -36 5  7  o 15.05502 6.997864 8.140988       24.88089 -35.31000      48.09967 24.01494       29.07266 14.64746 7.373049 17.30398 7.864696 -2.656514      10.78032 
1 1 1 -36 5  8  o 12.88941 6.231625 -10.46722      23.92721 -7.626000      44.63248 -11.61310      28.34446 15.57614 7.724048 13.57606 6.613950 2.000075       10.16884 
1 1 1 -36 5  9  o 10.89269 5.429854 -33.95940      23.23954 -57.00000      45.16914 -25.66458      27.10181 13.55415 6.861006 12.31838 6.092515 1.235768       9.175628 
1 1 1 -36 5  10 o 14.11192 6.669372 0.9256231      24.25311 -34.99000      48.06992 13.19036       28.09058 14.64632 7.372251 15.92639 7.413930 -1.280076      10.45545 
1 1 1 -36 5  11 o 15.58213 7.338428 9.774795       28.89697 0.000000       0.000000 9.774795       28.89697 ?        ?        15.58213 7.338428 ?              ?        
1 1 1 -36 5  12 o 18.08927 8.380171 32.10000       35.22943 0.000000       0.000000 32.10000       35.22943 ?        ?        18.08927 8.380171 ?              ?        
1 1 1 -36 5  13 o 14.69197 7.042327 0.7626191      29.05385 0.000000       0.000000 0.7626191      29.05385 ?        ?        14.69197 7.042327 ?              ?        
1 1 1 -36 5  14 o 15.24524 6.958599 11.41601       23.06880 -10.12000      35.59197 27.01704       30.29326 14.57650 7.165565 17.58334 8.005857 -3.006836      10.74426 
1 1 1 -36 5  15 o 19.29482 7.543523 32.60264       20.64873 10.08422       27.32063 62.60195       31.53388 15.39761 7.214767 22.89584 9.201941 -7.498227      11.69310 
1 1 1 -36 5  16 o 20.35539 7.683487 37.39800       20.90771 25.71819       27.82885 52.53415       31.68000 17.28147 7.789925 20.90710 8.881021 -3.625626      11.81336 
1 1 1 -36 5  17 o 14.09215 6.548459 5.146340       21.76409 18.99185       26.83078 -21.49000      37.21484 16.33224 7.473619 13.94455 6.938160 2.387684       10.19770 
1 1 1 -36 5  18 o 12.39938 5.981442 -9.326778      21.74713 -0.3359927     26.59754 -27.46000      37.77288 14.10790 6.755883 13.68452 6.837179 0.4233789      9.611918 
1 1 1 -36 5  19 o 19.15307 7.818349 34.68404       23.17148 25.58545       28.50461 52.41000       39.78623 17.18882 7.802559 19.54289 9.000813 -2.354069      11.91195 
1 1 1 -36 5  20 o 11.82303 5.772089 -15.54769      21.91340 -27.64205      26.70661 9.373000       38.33606 11.93627 5.928629 15.82506 7.705637 -3.888795      9.722422 
1 1 1 -36 5  21 o 11.63455 5.662758 -13.57519      20.64303 -6.239645      28.87716 -21.24137      29.52078 13.72571 6.684385 12.75514 6.317496 0.9705677      9.197378 
1 1 1 -36 5  22 o 14.18089 6.544155 8.027906       21.18028 21.95939       29.55276 -6.685576      30.37087 16.37734 7.617290 13.80892 6.753117 2.568429       10.17977 
1 1 1 -36 5  23 o 15.64422 6.960302 18.10447       21.44472 2.417968       29.84511 34.84756       30.83387 14.36034 6.946878 17.70506 8.067351 -3.344713      10.64619 
1 1 1 -36 5  24 o 11.35299 5.567038 -15.97498      21.06403 -7.893163      28.88151 -25.15893      30.78788 13.33337 6.534126 12.48666 6.228431 0.8467112      9.027079 
1 1 1 -36 5  25 f 20.09704 8.173717 46.51326       25.21471 66.45000       39.90689 33.26525       32.53091 19.56441 9.012072 16.98995 7.932082 2.574453       12.00564 
1 1 1 -36 5  26 o 17.81064 7.765825 35.26149       25.46608 23.99554       29.81390 65.66000       48.97351 15.99536 7.508205 18.14166 8.805073 -2.146305      11.57162 
1 1 1 -36 5  27 o 12.31062 6.100279 -16.02229      27.64976 -26.20000      36.40062 -2.140000      42.51225 12.82835 6.451653 14.36144 7.187047 -1.533091      9.658027 
1 1 1 -36 6  1  o 28.94717 10.29424 102.1129       36.66396 74.35000       50.03723 134.3000       53.87674 20.94525 9.797915 26.00854 11.31855 -5.063297      14.97026 
1 1 1 -36 6  2  o 15.49306 7.492300 3.079929       34.64208 -0.1577000     47.12658 6.886000       51.09646 16.11804 7.982917 16.63637 8.252354 -0.5183334     11.48165 
1 1 1 -36 6  3  o 14.67336 7.189764 -8.621592      34.92970 -1.606000      47.37251 -16.98000      51.70780 16.05471 7.960712 15.63168 7.837645 0.4230270      11.17146 
1 1 1 -36 6  4  o 22.35245 8.471482 49.61879       25.47595 -5.316000      48.66759 70.35378       29.89978 15.94429 7.933321 25.45309 9.264941 -9.508801      12.19741 
1 1 1 -36 6  5  o 18.83157 8.021183 33.14621       25.96478 49.19000       49.02856 26.89271       30.60957 19.06558 9.141264 17.65580 8.042218 1.409781       12.17538 
1 1 1 -36 6  6  o 16.18748 7.337291 16.58762       25.09465 -0.4193000     48.01164 22.98018       29.43550 16.13298 8.002081 17.16170 7.843647 -1.028717      11.20518 
1 1 1 -36 6  7  o 18.36846 7.806421 29.93696       24.49762 81.72000       47.01974 10.64331       28.70078 22.04840 10.01349 15.68427 7.363616 6.364128       12.42952 
1 1 1 -36 6  8  o 13.62600 6.484017 -2.656332      23.69908 4.556000       45.78149 -5.296484      27.69915 16.27231 8.023834 14.00114 6.753236 2.271166       10.48752 
1 1 1 -36 6  9  o 16.50861 7.411530 18.93933       24.90569 -35.85000      47.82503 39.32728       29.17386 14.57983 7.340685 19.50055 8.407662 -4.920723      11.16129 
1 1 1 -36 6  10 o 20.88890 8.723115 48.25360       29.74273 0.000000       0.000000 48.25360       29.74273 ?        ?        20.88890 8.723115 ?              ?        
1 1 1 -36 6  11 o 26.35631 10.25847 93.85000       38.04962 0.000000       0.000000 93.85000       38.04962 ?        ?        26.35631 10.25847 ?              ?        
1 1 1 -36 6  12 o 20.53174 8.749022 47.64447       30.91335 0.000000       0.000000 47.64447       30.91335 ?        ?        20.53174 8.749022 ?              ?        
1 1 1 -36 6  13 o 17.54056 7.531039 25.47075       23.22135 54.76000       35.63167 3.846977       30.61595 20.75184 9.113497 15.11596 7.241198 5.635879       11.64005 
1 1 1 -36 6  14 o 15.13716 6.795585 12.19378       20.93609 -18.64989      28.44140 48.67418       30.93127 12.98994 6.389550 20.60901 8.765704 -7.619075      10.84730 
1 1 1 -36 6  15 o 18.68352 7.472878 30.46977       20.69254 18.85077       27.88917 44.69944       30.86374 16.39308 7.544946 19.83013 8.598737 -3.437050      11.43960 
1 1 1 -36 6  16 o 12.49087 5.958074 -5.606792      20.25714 8.293827       27.14520 -23.07683      30.43147 15.07485 7.103527 12.93635 6.408479 2.138500       9.567063 
1 1 1 -36 6  17 o 20.57108 8.043248 41.35280       23.47694 15.80187       28.58664 94.29000       41.14719 15.98314 7.453294 24.49876 10.24747 -8.515619      12.67131 
1 1 1 -36 6  18 o 14.71704 6.767091 9.343966       22.36054 -7.858472      27.38050 43.79000       38.74504 13.53943 6.574246 18.74578 8.719890 -5.206356      10.92049 
1 1 1 -36 6  19 o 12.91912 6.176932 -4.788265      22.04648 17.49505       27.13032 -48.11000      37.82840 16.10087 7.421697 12.75247 6.434160 3.348399       9.822423 
1 1 1 -36 6  20 o 12.31223 5.957146 -9.854141      21.97112 -3.608806      27.24879 -21.46000      37.14565 13.77512 6.657468 13.79152 6.873276 -0.1640034E-01 9.568897 
1 1 1 -36 6  21 o 12.88330 6.106486 -1.498797      20.61468 2.819012       27.88493 -6.702699      30.61275 14.34707 6.882863 13.86382 6.779964 0.4832497      9.661351 
1 1 1 -36 6  22 o 17.89619 7.439170 29.64783       21.48772 29.89236       29.02343 29.35121       31.96564 17.28274 7.856214 17.09120 7.940065 0.1915340      11.16981 
1 1 1 -36 6  23 o 13.43856 6.309615 3.558299       21.07745 -19.38364      28.59337 30.85952       31.19187 12.55496 6.218191 17.12015 7.915104 -4.565190      10.06552 
1 1 1 -36 6  24 o 14.62751 6.728291 12.51391       22.13192 26.05452       31.43835 -0.7896943     31.16200 16.39435 7.700089 14.04132 6.861145 2.353037       10.31342 
1 1 1 -36 6  25 o 16.88978 7.303512 27.56743       22.14227 16.38219       30.59527 39.86897       32.08569 15.25176 7.287972 17.63765 8.108620 -2.385889      10.90249 
1 1 1 -36 6  26 o 17.27146 7.435283 30.01941       22.74915 22.78381       32.32277 37.12171       32.02362 15.85470 7.552397 17.32724 8.014050 -1.472540      11.01198 
1 1 1 -36 7  1  f 19.92555 8.205894 38.85412       25.81331 33.39585       29.98469 54.48000       50.73346 18.54792 8.242552 19.33880 9.279258 -0.7908764     12.41146 
1 1 1 -36 7  2  f 17.62144 7.650515 25.75871       24.49442 1.940000       48.23931 34.03331       28.43252 16.25942 8.057124 18.75086 8.190163 -2.491442      11.48895 
1 1 1 -36 7  3  o 12.07885 5.888147 -16.10435      22.56135 -12.86000      46.96639 -17.07759      25.72369 15.47815 7.716199 12.67099 6.200518 2.807163       9.898796 
1 1 1 -36 7  4  o 16.78655 7.509236 20.66699       25.31752 61.94000       48.91340 5.563146       29.58956 20.00282 9.458827 15.23802 7.249414 4.764800       11.91736 
1 1 1 -36 7  5  o 21.54763 8.380107 46.13218       25.37532 118.5000       49.26460 19.99889       29.60461 25.65441 10.99114 16.78805 7.743583 8.866352       13.44501 
1 1 1 -36 7  6  o 13.44942 6.428225 -4.501533      23.83190 9.231000       45.97227 -9.548168      27.86901 16.52961 8.129247 13.65704 6.631649 2.872572       10.49111 
1 1 1 -36 7  7  o 16.07081 7.280788 16.04300       24.67267 -24.53000      46.95028 31.52221       28.99973 14.95172 7.492662 18.30836 8.122737 -3.356641      11.05074 
1 1 1 -36 7  8  f 14.95304 6.939989 8.105641       24.32948 59.63000       51.89854 -6.406837      27.54353 19.54049 9.378435 13.85713 6.696192 5.683359       11.52363 
1 1 1 -36 7  9  o 11.76277 5.932719 -52.62000      32.00104 0.000000       0.000000 -52.62000      32.00104 ?        ?        11.76277 5.932719 ?              ?        
1 1 1 -36 7  10 o 14.25395 6.883777 -3.974876      28.99991 0.000000       0.000000 -3.974876      28.99991 ?        ?        14.25395 6.883777 ?              ?        
1 1 1 -36 7  11 o 16.61471 7.750783 18.70003       30.96195 0.000000       0.000000 18.70003       30.96195 ?        ?        16.61471 7.750783 ?              ?        
1 1 1 -36 7  12 o 14.02978 6.615669 1.540751       23.61872 -39.67000      36.48500 31.26896       30.98799 13.07046 6.557705 18.08850 8.180700 -5.018044      10.48462 
1 1 1 -36 7  13 o 15.88600 6.977066 16.62073       20.88718 -16.02152      28.11945 56.80074       31.19765 13.12180 6.433928 21.94106 9.027043 -8.819265      11.08526 
1 1 1 -36 7  14 o 10.45507 5.174253 -25.54959      19.66161 -17.26970      26.53820 -35.62469      29.27413 12.69591 6.230271 12.02107 6.008045 0.6748352      8.655223 
1 1 1 -36 7  15 o 11.80804 5.708967 -11.52646      20.08513 -2.197596      26.89429 -23.29106      30.20190 13.98613 6.722643 12.88234 6.382173 1.103791       9.269631 
1 1 1 -36 7  16 o 17.37514 7.326526 25.19661       21.29826 8.182244       28.61258 46.33812       31.89459 15.16296 7.189109 19.79587 8.659922 -4.632914      11.25511 
1 1 1 -36 7  17 o 12.68852 6.098068 -7.099070      22.11125 2.849007       27.44495 -25.50000      37.32611 14.50259 6.922452 13.71236 6.842659 0.7902279      9.733567 
1 1 1 -36 7  18 o 12.86824 6.162551 -5.461260      22.13694 -36.34495      27.16954 55.53000       38.18137 11.52412 5.763930 20.04353 9.071245 -8.519416      10.74758 
1 1 1 -36 7  19 o 16.53254 7.299488 21.53559       23.14526 17.10346       28.27341 30.54000       40.29948 16.00850 7.447380 17.35358 8.311698 -1.345079      11.16010 
1 1 1 -36 7  20 o 13.45554 6.396416 -0.1746502E-01 22.94593 -3.965105      27.63010 8.756000       41.19071 13.72964 6.651894 15.69833 7.715350 -1.968686      10.18697 
1 1 1 -36 7  21 o 13.18265 6.216904 0.9104792      20.86787 3.657228       28.10924 -2.462098      31.14731 14.39587 6.907382 14.18701 6.916396 0.2088614      9.774889 
1 1 1 -36 7  22 o 15.50306 6.926159 17.36899       21.46478 12.65799       29.08560 23.00328       31.80836 15.21681 7.224412 16.31479 7.688328 -1.097973      10.55000 
1 1 1 -36 7  23 o 16.01438 7.063925 21.15669       21.62621 3.630988       29.00218 43.10609       32.45670 14.25038 6.882542 18.33464 8.323957 -4.084259      10.80082 
1 1 1 -36 7  24 o 15.53733 6.965386 19.18207       21.91020 15.03871       30.99360 23.32122       30.97780 15.22398 7.291015 16.00895 7.557328 -0.7849646     10.50105 
1 1 1 -36 7  25 o 18.73229 7.712774 37.68193       22.79747 10.19140       32.09182 65.68787       32.39126 14.74223 7.148716 21.06869 8.966024 -6.326464      11.46707 
1 1 1 -36 7  26 o 15.54731 7.222294 21.27741       26.44014 21.87250       33.10993 20.23000       43.92633 15.57156 7.478071 15.49662 7.680779 0.7493973E-01  10.71988 
1 1 1 -36 8  1  f 16.16847 6.917908 17.92427       19.46915 1.464915       28.57889 32.17788       26.59509 14.73237 7.040861 18.58307 8.019876 -3.850697      10.67203 
1 1 1 -36 8  2  o 13.41744 6.218542 1.962306       19.43029 -12.73090      28.84334 14.17002       26.29084 13.55405 6.618271 15.91511 7.325178 -2.361062      9.872170 
1 1 1 -36 8  3  o 21.36522 7.833481 40.81120       21.43188 56.66253       30.54396 25.43788       30.07989 22.27382 9.019160 17.44713 7.956865 4.826683       12.02734 
1 1 1 -36 8  4  o 18.67072 7.476734 29.63890       20.73940 22.98869       29.33581 36.28380       29.32407 17.12904 7.829339 18.98355 8.304113 -1.854509      11.41301 
1 1 1 -36 8  5  o 14.28578 6.557173 6.410233       20.86729 38.97566       31.17995 -20.00902      28.08389 19.18902 8.472324 12.87287 6.335357 6.316147       10.57908 
1 1 1 -36 8  6  o 15.00614 6.956793 8.606823       24.34316 -8.631000      47.67885 14.68468       28.31129 15.66523 7.803857 16.06386 7.466079 -0.3986311     10.80012 
1 1 1 -36 8  7  o 13.14320 6.435396 -15.53735      27.83284 0.000000       0.000000 -15.53735      27.83284 ?        ?        13.14320 6.435396 ?              ?        
1 1 1 -36 8  8  o 13.42416 6.639736 -21.52000      32.20280 0.000000       0.000000 -21.52000      32.20280 ?        ?        13.42416 6.639736 ?              ?        
1 1 1 -36 8  9  o 13.87996 6.716606 -6.530067      27.95469 0.000000       0.000000 -6.530067      27.95469 ?        ?        13.87996 6.716606 ?              ?        
1 1 1 -36 8  10 o 17.28949 7.600343 24.38733       24.83691 12.15000       40.67683 31.66171       31.36187 16.40697 7.977280 18.12186 8.209460 -1.714884      11.44693 
1 1 1 -36 8  11 o 15.37375 6.893482 13.34368       21.47235 13.53856       29.98022 13.13843       30.76808 15.97971 7.509761 15.98365 7.541226 -0.3941536E-02 10.64268 
1 1 1 -36 8  12 o 13.29142 6.240314 -0.7989455E-01 20.61395 -6.999047      27.98507 8.127666       30.47945 13.79667 6.686766 15.43506 7.347252 -1.638394      9.934533 
1 1 1 -36 8  13 o 19.84486 7.700019 35.90317       21.38544 30.62159       28.71767 42.47822       32.04179 17.92869 8.010472 19.31152 8.554522 -1.382835      11.71953 
1 1 1 -36 8  14 o 19.95720 7.688419 36.41114       21.20893 27.61429       28.81506 46.81088       31.33050 17.45132 7.890969 19.97387 8.662279 -2.522554      11.71761 
1 1 1 -36 8  15 o 12.87574 6.098383 -2.549875      20.48704 -11.42896      27.45292 8.609829       30.77732 13.25174 6.467636 15.36038 7.331563 -2.108643      9.776611 
1 1 1 -36 8  16 o 11.92137 5.773402 -11.72822      20.75870 -38.74763      27.41612 24.57539       31.77920 11.43021 5.727612 16.97850 7.897613 -5.548287      9.755913 
1 1 1 -36 8  17 o 13.86888 6.515031 2.826611       22.52276 3.657437       27.87450 1.264000       38.22765 14.62354 6.979146 15.31317 7.507037 -0.6896324     10.25008 
1 1 1 -36 8  18 o 11.87413 5.824351 -17.97347      23.11067 -53.45689      28.24057 53.97000       40.21207 10.85179 5.485221 19.49655 9.004284 -8.644760      10.54347 
1 1 1 -36 8  19 o 11.51501 5.680115 -21.35965      23.01487 -52.24462      27.71004 47.33000       41.32466 10.73544 5.427237 18.50160 8.732404 -7.766160      10.28153 
1 1 1 -36 8  20 o 12.66037 6.128300 -8.008034      23.31679 -29.15802      28.24432 37.25000       41.31654 11.99707 5.981274 17.54020 8.405034 -5.543132      10.31602 
1 1 1 -36 8  21 o 28.70356 7.828842 71.14200       22.59942 52.17527       30.73841 93.45619       33.34079 20.20292 8.669236 27.00685 9.790365 -6.803930      13.07696 
1 1 1 -36 8  22 o 15.59653 6.972403 18.42493       21.78953 20.94430       29.34655 15.32958       32.52862 15.98818 7.486979 15.50622 7.437626 0.4819603      10.55335 
1 1 1 -36 8  23 o 15.68087 7.024982 19.78378       22.24575 18.87187       30.93704 20.76011       32.01092 15.63222 7.430014 15.82056 7.530420 -0.1883335     10.57886 
1 1 1 -36 8  24 o 17.54406 7.488655 31.67846       22.71668 15.88259       31.62776 48.51091       32.64904 15.19350 7.299696 18.55326 8.393390 -3.359763      11.12360 
1 1 1 -36 8  25 o 16.85787 7.324664 27.76569       22.48824 36.12963       31.68144 19.27195       31.92632 17.20446 7.962127 15.50424 7.418427 1.700214       10.88249 
1 1 1 -36 9  1  o 15.48216 6.708826 14.87275       18.76180 -14.02912      27.26772 40.85744       25.85500 13.16298 6.428970 20.22746 8.258010 -7.064486      10.46549 
1 1 1 -36 9  2  o 12.94229 6.091568 -1.983243      19.85879 -21.48040      27.94487 17.90873       28.22639 12.72985 6.275495 16.43315 7.573159 -3.703293      9.835373 
1 1 1 -36 9  3  o 14.43070 6.537471 8.371517       19.88949 11.91893       28.23561 4.877678       28.02159 15.72752 7.358104 14.95849 7.098659 0.7690248      10.22412 
1 1 1 -36 9  4  o 19.84181 7.637523 34.74670       20.91659 14.97507       29.72593 54.13614       29.43722 16.15144 7.554275 21.99806 8.873308 -5.846619      11.65344 
1 1 1 -36 9  5  o 29.78831 8.107172 74.82016       24.26551 60.83000       39.44678 83.33683       30.77765 20.88881 9.356647 27.88428 9.459046 -6.995480      13.30490 
1 1 1 -36 9  6  o 17.83293 7.646922 27.30904       23.88527 32.77000       39.37287 24.12904       30.04533 17.98765 8.500045 17.20857 7.887364 0.7790794      11.59574 
1 1 1 -36 9  7  o 15.05328 7.040558 7.979363       25.81911 -5.503000      39.46293 18.07000       34.14017 15.20836 7.489657 16.62942 7.875118 -1.421057      10.86796 
1 1 1 -36 9  8  o 17.82402 7.642444 27.32390       23.85352 9.900000       39.98248 36.95284       29.72255 16.21034 7.887853 18.95204 8.323316 -2.741699      11.46716 
1 1 1 -36 9  9  o 19.78650 8.047399 37.75238       24.44133 -10.24000      38.35938 70.55277       31.71209 14.81119 7.311135 24.44472 9.405484 -9.633530      11.91284 
1 1 1 -36 9  10 o 13.37067 6.277901 0.1355542      20.86846 29.85152       29.28227 -30.53352      29.74816 17.90673 8.038027 12.43732 6.190686 5.469405       10.14566 
1 1 1 -36 9  11 o 19.43758 7.701606 34.41748       21.77743 10.74379       29.79939 61.55338       31.90409 15.59062 7.375540 22.44803 9.169994 -6.857406      11.76807 
1 1 1 -36 9  12 o 17.17428 7.271875 24.04668       21.12444 20.28358       28.86976 28.38335       30.99194 16.53397 7.633696 17.50213 8.017705 -0.9681606     11.07054 
1 1 1 -36 9  13 o 10.26219 5.105662 -29.56129      20.13956 -40.93148      27.04732 -15.41283      30.17136 11.24640 5.643053 13.37351 6.578772 -2.127110      8.667426 
1 1 1 -36 9  14 o 16.28866 7.081724 19.72491       21.04830 17.99573       28.31166 21.86169       31.47213 16.19182 7.505078 16.69241 7.796053 -0.5005817     10.82149 
1 1 1 -36 9  15 o 21.05937 7.777595 40.91264       21.19051 36.25347       28.60365 46.58038       31.54806 18.63026 8.174091 19.80432 8.639194 -1.174065      11.89334 
1 1 1 -36 9  16 o 24.36026 8.389284 57.67017       24.22881 46.25698       30.21966 78.21000       40.54007 19.99544 8.588242 22.31555 9.762724 -2.320105      13.00264 
1 1 1 -36 9  17 o 21.45803 8.236818 46.66751       24.28122 27.21061       29.38711 88.53000       43.10549 17.27103 7.871988 22.83697 10.02669 -5.565937      12.74765 
1 1 1 -36 9  18 o 19.87605 8.029964 40.46604       24.14950 39.17608       29.51272 43.08000       42.01170 18.71516 8.253763 18.10366 8.619905 0.6114998      11.93429 
1 1 1 -36 9  19 o 17.63145 7.610809 29.45523       23.96124 0.3514940      28.91628 93.23000       42.80480 14.19309 6.859146 22.90616 10.02615 -8.713070      12.14790 
1 1 1 -36 9  20 o 14.15501 6.675578 5.913984       24.06246 11.29242       29.77584 -4.210000      40.85186 15.16956 7.232376 14.78722 7.342596 0.3823338      10.30636 
1 1 1 -36 9  21 o 16.09323 7.152923 21.34402       22.59071 23.35157       31.07991 19.09537       32.89334 16.26991 7.646177 15.87165 7.576645 0.3982563      10.76427 
1 1 1 -36 9  22 o 11.11232 5.488005 -20.26188      21.70739 -23.55465      30.15374 -16.71974      31.27472 12.43106 6.194853 12.98478 6.443635 -0.5537224     8.938492 
1 1 1 -36 9  23 o 9.304534 4.712888 -47.93321      21.52990 -43.05312      30.17453 -52.99422      30.72878 11.35453 5.731001 11.02342 5.588634 0.3311167      8.004824 
1 1 1 -36 9  24 o 16.05022 7.142943 23.30016       22.60112 21.65416       31.82421 24.97516       32.10325 15.68377 7.477389 15.99050 7.591211 -0.3067331     10.65541 
1 1 1 -36 9  25 o 17.58056 7.992142 40.28511       30.04284 15.39000       40.95106 69.30000       44.20981 15.12731 7.483106 18.49938 8.817911 -3.372070      11.56514 
1 1 1 -36 10 1  o 12.80499 6.034135 -2.505813      19.59028 7.126528       27.51800 -12.40427      27.89554 15.12377 7.134397 13.37824 6.527231 1.745527       9.669765 
1 1 1 -36 10 2  o 10.60241 5.221763 -22.55422      19.19446 -41.05239      26.76534 -2.967753      27.54143 11.26303 5.646039 14.12466 6.792785 -2.861633      8.832875 
1 1 1 -36 10 3  o 14.88698 6.780100 10.01131       21.74660 -15.70000      34.79562 26.49126       27.85739 14.11320 6.965963 17.52977 7.856662 -3.416575      10.50008 
1 1 1 -36 10 4  o 19.95879 7.895356 37.08072       22.85265 30.38000       36.64342 41.34570       29.23440 17.79719 8.344383 19.69289 8.452502 -1.895704      11.87744 
1 1 1 -36 10 5  o 18.76983 8.018600 33.69534       26.08477 7.991000       38.08393 56.41000       35.80072 15.96457 7.752193 20.88140 9.153787 -4.916822      11.99535 
1 1 1 -36 10 6  f 17.60361 7.965753 27.49379       29.42862 0.000000       0.000000 27.49379       29.42862 ?        ?        17.60361 7.965753 ?              ?        
1 1 1 -36 10 7  o 22.34733 8.242448 48.17118       23.78584 4.872000       37.71183 76.77554       30.65165 15.69646 7.642931 26.25061 9.403861 -10.55416      12.11804 
1 1 1 -36 10 8  o 20.93477 8.271962 43.99176       25.05849 22.98000       39.86825 57.71322       32.21783 17.08129 8.203820 21.76524 9.083173 -4.683943      12.23955 
1 1 1 -36 10 9  o 24.64322 8.092946 54.99070       22.55969 53.43017       31.16768 56.70797       32.69558 21.18854 8.894451 21.37924 9.049347 -0.1906967     12.68865 
1 1 1 -36 10 10 o 15.53457 6.959223 14.97367       21.82938 -16.64445      30.10325 50.03834       31.70154 13.29936 6.547965 20.42634 8.785119 -7.126979      10.95692 
1 1 1 -36 10 11 o 14.05765 6.515139 5.566509       21.32651 -0.4594862     29.67804 12.00069       30.66674 14.45079 6.975123 15.67084 7.433637 -1.220048      10.19369 
1 1 1 -36 10 12 o 21.91072 7.905375 44.64149       21.70558 57.92648       29.80075 29.63024       31.67781 22.17971 8.934515 17.55482 8.065541 4.624897       12.03655 
1 1 1 -36 10 13 o 12.86025 6.109104 -3.100567      20.85730 -11.05163      28.51383 6.049755       30.58871 13.41591 6.557176 15.07420 7.225652 -1.658295      9.757387 
1 1 1 -36 10 14 o 16.04033 7.048647 18.49283       21.34419 11.20937       28.85074 27.29921       31.72390 15.43452 7.288308 17.25257 7.978439 -1.818043      10.80624 
1 1 1 -36 10 15 o 13.58331 6.415110 0.8215338      22.36720 -6.587512      27.58599 15.04000       38.21499 13.63568 6.615827 16.21807 7.849246 -2.582396      10.26547 
1 1 1 -36 10 16 o 13.16042 6.291662 -3.398086      22.86058 -0.7003001     27.89058 -8.921000      39.90598 14.14846 6.812251 14.75549 7.314744 -0.6070318     9.995611 
1 1 1 -36 10 17 o 22.56497 8.301114 51.99953       24.09943 54.61887       29.36874 46.60000       42.16652 21.28544 8.757998 18.34680 8.706985 2.938637       12.34966 
1 1 1 -36 10 18 o 13.29010 6.345215 -1.221160      23.08765 -16.39404      28.18714 29.71000       40.24530 12.79461 6.306503 16.97361 8.175201 -4.179006      10.32501 
1 1 1 -36 10 19 o 12.79124 6.166030 -5.484323      23.01022 -19.04685      27.88179 23.48000       40.74572 12.51497 6.187890 16.41896 7.983318 -3.903989      10.10066 
1 1 1 -36 10 20 f 15.79205 7.205023 19.43948       24.69663 20.94465       30.68239 16.67000       41.61930 16.01614 7.548647 15.84747 7.781974 0.1686726      10.84164 
1 1 1 -36 10 21 o 13.72632 6.446365 5.810238       22.02530 3.733742       30.39798 8.105255       31.95745 14.31336 6.944676 14.76690 7.154299 -0.4535427     9.970582 
1 1 1 -36 10 22 o 14.14351 6.601868 9.600163       22.51690 29.10580       31.56751 -10.60340      32.12730 16.51655 7.744252 13.35234 6.609209 3.164209       10.18111 
1 1 1 -36 10 23 o 11.55698 5.675774 -14.40677      22.16004 -5.124642      30.96467 -24.15174      31.72730 13.49886 6.645176 12.45376 6.228865 1.045106       9.108080 
1 1 1 -36 10 24 o 11.63702 5.707846 -12.97431      22.18924 -11.70452      31.48170 -14.22789      31.27992 13.06492 6.480207 12.89222 6.405595 0.1727066      9.111791 
1 1 1 -36 11 1  o 21.16288 8.300733 45.00262       25.07008 22.11000       35.27390 68.37000       35.63779 16.95604 8.022378 22.61433 9.503055 -5.658289      12.43650 
1 1 1 -36 11 2  o 16.74005 7.468719 21.37559       24.87098 -8.606000      35.62886 49.87000       34.73397 14.60602 7.177926 20.08702 8.901907 -5.480994      11.43532 
1 1 1 -36 11 3  o 28.43014 8.681099 75.60452       26.37435 53.56000       37.37953 97.46000       37.21891 20.17337 9.066423 27.14993 10.25076 -6.976561      13.68496 
1 1 1 -36 11 4  o 25.78197 8.899055 67.87639       27.26825 24.01000       39.63469 107.3000       37.57402 17.13924 8.218008 28.91045 10.40498 -11.77121      13.25893 
1 1 1 -36 11 5  o 13.60658 6.664012 -12.52505      29.90395 2.993000       36.27990 -45.41000      52.81364 15.40630 7.500475 14.50463 7.350614 0.9016705      10.50184 
1 1 1 -36 11 6  o 15.66721 7.075819 15.16615       23.08838 15.63000       37.38358 14.88012       29.35636 16.36756 7.882258 15.96707 7.480677 0.4004850      10.86695 
1 1 1 -36 11 7  o 14.94791 6.790586 11.32165       21.64154 -4.538332      29.76715 29.10388       31.51949 14.15042 6.867167 17.56826 8.061991 -3.417838      10.59026 
1 1 1 -36 11 8  o 14.56513 6.674877 8.992162       21.50821 -24.61539      29.50308 47.11346       31.42193 12.66233 6.279260 19.96723 8.667055 -7.304893      10.70266 
1 1 1 -36 11 9  o 16.90380 7.255640 23.04949       21.54290 31.78795       29.83780 13.53399       31.13617 17.91036 8.070445 15.82654 7.502475 2.083820       11.01904 
1 1 1 -36 11 10 o 16.18580 7.133994 19.21564       22.01704 5.369490       30.44217 34.40184       31.88126 15.00297 7.195949 18.10193 8.230680 -3.098966      10.93279 
1 1 1 -36 11 11 o 17.47912 7.401543 26.24445       21.88745 40.82917       30.14652 9.986336       31.82902 19.12312 8.390953 15.50491 7.415601 3.618210       11.19818 
1 1 1 -36 11 12 o 25.59201 8.028692 58.71576       22.38370 55.88299       30.68023 61.93965       32.72975 21.44936 8.900318 21.93156 9.154002 -0.4821949     12.76759 
1 1 1 -36 11 13 o 13.32714 6.289094 0.5395077E-01  21.41812 -2.933097      29.43868 3.413269       31.21928 14.17111 6.865869 14.88283 7.176261 -0.7117252     9.931711 
1 1 1 -36 11 14 f 13.11609 6.284605 -4.329087      23.09022 -20.38101      28.78690 24.63000       38.66552 12.76941 6.308885 16.91741 8.113035 -4.147993      10.27732 
1 1 1 -36 11 15 o 21.40062 8.354630 48.46747       25.29777 44.03172       31.16909 57.03000       43.30534 19.28995 8.495724 19.27501 9.048072 0.1493263E-01  12.41148 
1 1 1 -36 11 16 o 24.50262 8.566983 62.02381       25.31075 60.10775       31.06184 65.81000       43.66399 21.69861 8.975212 19.79346 9.223903 1.905144       12.86992 
1 1 1 -36 11 17 o 22.08400 8.340057 51.70852       24.64046 40.59692       30.43702 72.84000       41.97385 18.60958 8.285137 20.63057 9.405056 -2.020987      12.53390 
1 1 1 -36 11 18 o 24.26488 8.635641 63.23359       25.80572 49.43200       32.06878 88.59000       43.46721 19.48410 8.597867 21.84019 9.799312 -2.356096      13.03648 
1 1 1 -36 11 19 o 17.06478 7.577061 28.35986       25.28466 -10.56119      31.14524 103.6000       43.30362 13.43926 6.625194 23.41794 10.16967 -9.978682      12.13735 
1 1 1 -36 11 20 o 13.12918 6.341552 -2.800316      24.63441 -4.303765      30.41082 0.6911000E-01  42.01276 13.69211 6.708883 14.79017 7.361027 -1.098068      9.959610 
1 1 1 -36 11 21 o 13.75213 6.477993 6.450044       22.53970 14.53051       31.61422 -1.903664      32.14428 15.13189 7.277318 13.91072 6.832554 1.221166       9.982141 
1 1 1 -36 11 22 o 12.30269 5.953559 -5.478874      21.96863 -8.387106      30.63836 -2.401463      31.51692 13.22916 6.530928 13.71171 6.740931 -0.4825449     9.385797 
1 1 1 -36 11 23 o 13.61583 6.427796 6.363703       22.41277 33.24667       31.42638 -21.46363      31.97360 16.75607 7.814062 12.59597 6.292876 4.160102       10.03294 
1 1 1 -36 12 1  o 15.22865 7.426956 2.223000       36.00938 2.223000       36.00938 0.000000       0.000000 15.22865 7.426956 ?        ?        ?              ?        
1 1 1 -36 12 2  o 30.59348 8.988125 90.38882       28.68687 68.98000       38.28408 117.8000       43.31973 21.69736 9.489856 27.16872 10.83055 -5.471359      14.39994 
1 1 1 -36 12 3  o 25.23356 10.11734 91.51000       38.02436 0.000000       0.000000 91.51000       38.02436 ?        ?        25.23356 10.11734 ?              ?        
1 1 1 -36 12 4  o 15.31712 7.081639 12.33249       24.97028 1.769000       35.75468 22.39000       34.88787 15.15958 7.394892 16.77210 7.948046 -1.612520      10.85614 
1 1 1 -36 12 5  o 17.62444 7.493108 27.13713       22.58563 -5.146799      29.13429 75.76000       35.75457 13.97416 6.784452 23.39128 9.647866 -9.417115      11.79449 
1 1 1 -36 12 6  o 15.04848 6.873017 11.84809       22.54979 14.74047       28.11316 6.630000       37.76052 15.78140 7.369823 15.60835 7.610649 0.1730518      10.59416 
1 1 1 -36 12 7  o 14.59599 6.747348 8.596560       22.65750 -14.67387      28.02060 52.55000       38.50983 13.05976 6.407416 19.56882 8.954290 -6.509065      11.01064 
1 1 1 -36 12 8  o 13.01608 6.241386 -5.004251      22.86908 8.280265       28.68414 -28.18000      37.88661 15.11069 7.174130 13.60384 6.804476 1.506849       9.887823 
1 1 1 -36 12 9  o 10.17279 5.081816 -33.28387      20.83073 -20.40012      28.11501 -48.96399      31.01643 12.65574 6.249401 11.59330 5.846437 1.062434       8.557794 
1 1 1 -36 12 10 o 17.26170 7.367698 25.36719       21.98648 13.44740       29.83479 39.53477       32.52644 15.68274 7.407342 18.62581 8.406486 -2.943071      11.20436 
1 1 1 -36 12 11 o 24.01507 8.467891 57.69251       24.76421 46.42995       31.20580 76.85000       40.69919 19.77314 8.609402 21.98495 9.694335 -2.211811      12.96541 
1 1 1 -36 12 12 o 15.98103 7.223356 17.90237       24.11804 27.28878       31.02967 3.578000       38.33232 17.21950 7.937264 15.39329 7.540291 1.826213       10.94788 
1 1 1 -36 12 13 o 19.65252 8.030595 39.18336       24.47791 39.51705       30.88795 38.62000       40.13393 18.73005 8.342058 17.96393 8.516312 0.7661133      11.92130 
1 1 1 -36 12 14 o 11.47548 5.674730 -23.09849      23.47884 -65.85316      28.97462 58.66000       40.06752 10.41596 5.295582 19.66177 9.047219 -9.245806      10.48310 
1 1 1 -36 12 15 o 15.02534 6.964432 12.45313       24.37996 18.10146       30.64765 2.719000       40.23334 15.93579 7.521018 15.19387 7.497698 0.7419176      10.61985 
1 1 1 -36 12 16 o 15.11962 6.973302 13.77588       23.99910 8.215030       29.47214 24.72000       41.34584 14.86309 7.115934 16.51476 8.032629 -1.651669      10.73125 
1 1 1 -36 12 17 o 13.29337 6.422605 -3.421647      25.31060 -0.3135336     32.29693 -8.369000      40.74734 14.31419 6.992432 14.48537 7.215811 -0.1711864     10.04799 
1 1 1 -36 12 18 o 13.02483 6.303800 -4.607974      24.64863 -2.652071      30.88526 -8.039000      40.90625 13.93228 6.812726 14.41821 7.189915 -0.4859266     9.904954 
1 1 1 -36 12 19 o 13.74983 6.576196 3.356926       25.03121 -13.18927      31.09113 33.84000       42.20043 13.14566 6.505982 16.69056 8.117474 -3.544896      10.40294 
1 1 1 -36 12 20 o 11.82155 5.787410 -12.46065      22.48485 7.258566       31.21553 -33.72462      32.41515 14.48832 7.031405 12.11862 6.093851 2.369699       9.304605 
1 1 1 -36 12 21 o 12.45000 6.029669 -4.952241      22.64859 7.602945       31.69006 -18.06089      32.38101 14.42200 7.018726 12.82682 6.396439 1.595177       9.496154 
1 1 1 -36 12 22 o 18.25715 7.664377 36.43505       23.14514 38.22423       32.67941 34.63426       32.78518 17.18906 7.999991 16.80504 7.883562 0.3840218      11.23167 
1 1 1 -36 13 1  o 18.62640 7.983814 34.69160       26.01599 -18.25000      37.57903 83.42000       36.05273 14.06761 6.994852 24.50982 9.843152 -10.44220      12.07541 
1 1 1 -36 13 2  o 20.54534 8.345131 45.07117       26.24303 6.149000       38.00867 80.53000       36.27826 15.55737 7.596660 23.90839 9.773900 -8.351028      12.37895 
1 1 1 -36 13 3  o 19.69380 8.563243 45.44400       30.78436 45.44400       30.78436 0.000000       0.000000 19.69380 8.563243 ?        ?        ?              ?        
1 1 1 -36 13 4  o 11.55465 5.657085 -17.29128      21.49327 -16.56115      28.33903 -18.28000      32.97774 12.95608 6.373906 13.51617 6.691342 -0.5600910     9.241252 
1 1 1 -36 13 5  o 12.60695 6.069110 -7.463232      22.11750 -29.82005      27.76483 31.36000       36.58776 11.98089 5.966303 17.50168 8.247062 -5.520791      10.17894 
1 1 1 -36 13 6  o 16.42681 7.266133 20.95298       23.03558 10.20233       28.46133 41.37000       39.22238 15.25406 7.213854 18.30093 8.597178 -3.046863      11.22280 
1 1 1 -36 13 7  o 16.34879 7.262697 20.49537       23.25861 4.631150       28.84490 49.98000       39.32399 14.73546 7.050788 19.11875 8.855941 -4.383283      11.31995 
1 1 1 -36 13 8  o 15.45198 7.031232 14.58560       23.32266 -15.19527      28.86155 70.63000       39.59287 13.12602 6.452542 21.41816 9.497351 -8.292145      11.48194 
1 1 1 -36 13 9  o 13.99507 6.587249 3.559661       23.22476 7.073413       29.20684 -2.483000      38.30127 15.00211 7.155434 14.99891 7.384972 0.3205299E-02  10.28290 
1 1 1 -36 13 10 o 22.47803 8.419830 52.30973       25.00245 94.64850       31.96019 -14.47000      40.13863 29.02838 9.636879 14.46842 7.199918 14.55996       12.02947 
1 1 1 -36 13 11 o 17.10339 7.503944 25.51615       24.10416 23.23577       30.75089 29.15000       38.81836 16.67239 7.759804 17.17097 8.206176 -0.4985809     11.29406 
1 1 1 -36 13 12 o 13.69740 6.514521 1.144331       23.85843 3.004104       30.45979 -1.808000      38.37775 14.60537 7.053838 14.88967 7.342888 -0.2842999     10.18207 
1 1 1 -36 13 13 o 13.18817 6.347090 -3.720926      24.14931 10.32467       29.95667 -29.79000      40.81184 15.14223 7.229015 13.63230 6.852687 1.509935       9.960822 
1 1 1 -36 13 14 o 16.79879 7.487185 25.42179       24.92701 10.96731       31.30367 50.47000       41.20808 15.22547 7.301188 18.49402 8.726165 -3.268551      11.37775 
1 1 1 -36 13 15 o 19.72204 8.190564 43.57264       26.01345 47.54681       33.20726 37.26000       41.85185 19.00246 8.542386 17.29985 8.333455 1.702610       11.93394 
1 1 1 -36 13 16 o 12.57929 6.151815 -10.99815      25.20416 -11.37343      32.05073 -10.39000      40.80067 13.48268 6.660479 14.32181 7.147916 -0.8391333     9.770091 
1 1 1 -36 13 17 o 12.55841 6.149210 -10.97957      25.41698 -39.67657      31.90253 38.89000       42.05568 11.87360 5.980374 17.12442 8.274862 -5.250822      10.20971 
1 1 1 -36 13 18 o 18.19829 7.913349 37.80480       26.29166 52.89368       33.13323 12.15000       43.20357 19.20351 8.590447 15.35281 7.610873 3.850698       11.47698 
1 1 1 -36 13 19 o 12.70732 6.141862 -3.628875      23.20229 -6.762115      32.79005 -0.4868544     32.83597 13.58553 6.715985 13.99200 6.879090 -0.4064713     9.613861 
1 1 1 -36 13 20 o 13.68401 6.487830 6.351707       23.30137 25.04235       33.33389 -11.50868      32.58511 15.85573 7.584874 13.20391 6.556628 2.651820       10.02595 
1 1 1 -36 13 21 o 10.93885 5.434615 -22.88134      22.49779 -6.588954      31.30029 -40.29507      32.35951 13.35450 6.594350 11.70953 5.913164 1.644967       8.857255 
1 1 1 -36 14 1  o 13.93337 6.399957 6.515371       19.92698 -27.65429      28.73779 38.15950       27.65538 12.28545 6.110067 18.96256 8.180886 -6.677112      10.21077 
1 1 1 -36 14 2  o 11.18783 5.456116 -15.53959      19.43025 -44.33228      27.36959 13.71610       27.58877 11.09114 5.580135 15.57664 7.282896 -4.485503      9.174883 
1 1 1 -36 14 3  o 18.92262 7.972598 35.98154       25.18748 40.41000       36.95600 32.14000       34.42000 18.34370 8.527200 17.62469 8.205278 0.7190075      11.83384 
1 1 1 -36 14 4  o 11.18002 5.522184 -23.26372      22.00465 -43.31017      27.98410 9.210000       35.61712 11.26624 5.664806 15.59999 7.556710 -4.333750      9.444252 
1 1 1 -36 14 5  f 13.89548 6.742991 -4.631846      28.68774 -4.631846      28.68774 0.000000       0.000000 13.89548 6.742991 ?        ?        ?              ?        
1 1 1 -36 14 6  o 15.54149 7.057450 15.36343       23.34752 11.18914       29.14532 22.84000       39.00571 15.37863 7.280859 16.71893 8.051468 -1.340301      10.85528 
1 1 1 -36 14 7  o 12.58662 6.093000 -9.238187      23.05856 -23.22147      28.82131 15.63000       38.43539 12.54934 6.220261 16.14989 7.829450 -3.600544      9.999597 
1 1 1 -36 14 8  f 18.28738 7.725722 32.05482       23.75486 35.81335       29.86396 25.58000       39.19698 18.25041 8.160469 16.86182 8.107723 1.388590       11.50341 
1 1 1 -36 14 9  o 14.70990 6.823196 10.01447       23.46579 16.00797       29.53228 -0.2504000     38.64857 15.77299 7.425327 15.01032 7.395952 0.7626696      10.48025 
1 1 1 -36 14 10 o 11.65634 5.739544 -19.30337      23.14648 -17.93052      29.37936 -21.55000      37.58343 12.87510 6.363377 13.69681 6.839744 -0.8217144     9.342091 
1 1 1 -36 14 11 o 14.66938 6.851265 9.924204       24.30695 14.02564       30.95026 3.323000       39.26522 15.50586 7.387376 15.13305 7.456099 0.3728104      10.49603 
1 1 1 -36 14 12 f 22.34994 8.604511 56.65737       26.55177 61.73110       33.11286 47.52000       44.43690 21.10602 9.026015 17.97515 8.640368 3.130873       12.49500 
1 1 1 -36 14 13 o 23.82615 8.631456 62.02495       25.90895 56.88890       32.28916 71.31000       43.41447 20.46911 8.835336 19.96544 9.267817 0.5036678      12.80451 
1 1 1 -36 14 14 o 10.70644 5.369876 -36.09170      24.36705 -42.08621      31.52132 -27.19000      38.41175 11.75491 5.923640 13.33593 6.696123 -1.581016      8.940223 
1 1 1 -36 14 15 o 12.46624 6.115324 -12.46181      25.49484 -21.96425      32.62399 2.445000       40.86129 12.87537 6.420611 14.90000 7.389068 -2.024628      9.788900 
1 1 1 -36 14 16 o 21.76757 8.620890 58.01369       27.27499 36.57266       34.01435 96.63000       45.64832 17.23587 8.067757 21.36338 9.765424 -4.127514      12.66697 
1 1 1 -36 14 17 o 19.93502 8.344143 49.73444       27.30939 14.39780       34.12260 112.7000       45.54922 15.16019 7.356086 22.84914 10.15621 -7.688951      12.54036 
1 1 1 -36 14 18 o 15.77129 7.130882 22.27622       23.52713 -7.257625      33.00510 52.78650       33.54626 13.51147 6.689928 18.75585 8.494222 -5.244383      10.81235 
1 1 1 -36 14 19 o 12.36989 6.007025 -5.972510      22.87627 -28.07086      32.31387 16.23025       32.39012 12.27580 6.160747 15.09237 7.285312 -2.816575      9.540995 
1 1 1 -36 14 20 f 10.78513 5.416210 -33.57067      25.18170 -24.80575      31.12473 -50.18000      42.84574 12.21514 6.118298 12.51473 6.370041 -0.2995939     8.832384 
1 1 1 -36 15 1  o 20.35062 7.590315 38.17510       20.27461 34.07556       29.08675 42.04921       28.27571 17.98553 8.046971 19.30856 8.300523 -1.323030      11.56081 
1 1 1 -36 15 2  o 14.43369 6.537942 10.41596       19.88426 -13.22846      28.41100 33.11774       27.83891 13.10297 6.433337 17.95357 7.962284 -4.850594      10.23649 
1 1 1 -36 15 3  o 13.43821 6.257518 3.617725       20.03455 -20.39628      28.21767 28.02882       28.45002 12.56831 6.216227 17.18463 7.798452 -4.616316      9.972830 
1 1 1 -36 15 4  o 12.16997 5.853521 -7.478180      20.46732 -26.94489      27.69375 15.95301       30.38314 12.04700 5.992564 15.77081 7.456794 -3.723814      9.566326 
1 1 1 -36 15 5  o 12.88003 6.216029 -6.136162      23.54878 20.68000       36.42574 -25.39160      30.86646 16.30436 7.833518 12.65091 6.298461 3.653448       10.05160 
1 1 1 -36 15 6  o 13.79250 6.612500 0.3154443      25.64384 3.368099       29.41999 -9.339000      52.31995 14.47765 6.977255 15.23846 7.673018 -0.7608023     10.37098 
1 1 1 -36 15 7  o 14.73588 6.847506 10.79085       23.79606 22.57046       29.90547 -9.540000      39.28826 16.35364 7.625140 14.41813 7.166302 1.935506       10.46416 
1 1 1 -36 15 8  o 14.23115 6.680078 7.021408       23.59976 -5.003150      29.50925 28.36000       39.31031 13.75084 6.709973 16.77680 8.080225 -3.025956      10.50304 
1 1 1 -36 15 9  o 15.51195 7.078582 16.94815       23.85209 14.55609       30.12139 20.97000       39.05725 15.46108 7.343711 16.19647 7.861507 -0.7353897     10.75795 
1 1 1 -36 15 10 o 16.46566 7.337333 23.58623       23.92760 17.57632       30.25653 33.62000       39.09462 15.72429 7.436724 17.09389 8.187097 -1.369602      11.06044 
1 1 1 -36 15 11 o 16.62920 7.438407 25.19442       24.83826 10.90533       30.71830 52.18000       42.21440 15.06491 7.226409 18.33335 8.703879 -3.268442      11.31276 
1 1 1 -36 15 12 f 20.34386 8.240674 47.07690       25.50930 29.62291       31.33715 81.36000       43.91898 16.83824 7.835790 20.57879 9.470232 -3.740549      12.29166 
1 1 1 -36 15 13 o 18.61789 7.966521 38.95950       25.82223 43.70068       32.31890 30.59000       42.94010 18.31999 8.312942 16.53320 8.073439 1.786789       11.58816 
1 1 1 -36 15 14 o 23.83790 8.732188 65.89676       26.62222 59.21815       33.16855 77.99000       44.63285 20.07515 8.805301 19.78127 9.253502 0.2938824      12.77343 
1 1 1 -36 15 15 o 17.19280 7.497411 30.36537       23.74272 13.37622       33.29718 47.93844       33.86457 15.05882 7.297390 18.33280 8.391786 -3.273976      11.12088 
1 1 1 -36 15 16 o 15.60879 7.095590 21.05269       23.67863 14.39684       33.40520 27.77386       33.56868 15.03027 7.289601 16.14105 7.690983 -1.110779      10.59667 
1 1 1 -36 15 17 f 12.93693 6.217948 0.3625569E-01  22.99968 1.989766       31.95745 -2.062857      33.12700 13.95855 6.847232 13.77591 6.798999 0.1826391      9.649403 
1 1 1 -36 15 18 o 11.91804 5.837297 -11.19397      22.95277 -7.817962      32.36548 -14.60976      32.55560 13.37836 6.624160 13.00003 6.471662 0.3783360      9.260772 
1 1 1 -36 15 19 o 12.42381 6.188008 -16.92877      29.92368 -19.76000      40.76297 -13.62000      44.06683 13.31721 6.714115 13.76654 6.945640 -0.4493332     9.660293 
1 1 1 -36 16 1  o 19.11456 7.486948 34.47605       20.37160 -10.43854      28.92579 78.67736       28.69519 13.24277 6.499826 26.43007 9.128651 -13.18730      11.20625 
1 1 1 -36 16 2  o 16.41517 7.022760 22.29842       20.06014 3.595887       28.87004 39.75747       27.89379 14.35411 6.916210 18.69962 8.140877 -4.345505      10.68213 
1 1 1 -36 16 3  o 16.59679 7.145715 23.51185       21.01665 9.267113       29.05191 39.15112       30.44077 14.87915 7.107695 18.26082 8.196349 -3.381668      10.84894 
1 1 1 -36 16 4  o 16.68029 7.181918 24.07234       21.23158 16.88713       29.19042 32.14346       30.93768 15.63268 7.366351 17.31327 7.960498 -1.680598      10.84586 
1 1 1 -36 16 5  o 20.49087 7.768650 41.31149       21.42855 11.93255       28.94462 76.94276       31.87612 15.10469 7.181423 24.15844 9.393265 -9.053748      11.82397 
1 1 1 -36 16 6  o 19.65782 7.992547 41.25092       24.10031 83.71000       37.88062 12.37745       31.23786 22.76649 9.692550 15.24108 7.304654 7.525409       12.13686 
1 1 1 -36 16 7  o 12.13574 5.864357 -7.890279      21.12527 -2.277241      29.33010 -13.94125      30.45280 13.84555 6.741371 13.14531 6.493541 0.7002382      9.360136 
1 1 1 -36 16 8  o 13.14129 6.390650 -5.797913      26.13809 7.258830       30.33652 -43.42000      51.49555 14.67996 7.077347 13.85769 7.046803 0.8222733      9.987306 
1 1 1 -36 16 9  o 17.43773 7.422454 29.32565       22.20695 -14.72394      30.55716 78.62979       32.32837 13.04296 6.454203 23.93636 9.414767 -10.89339      11.41467 
1 1 1 -36 16 10 o 15.49938 6.978686 18.51118       22.26218 7.206456       30.43528 31.51942       32.64802 14.59041 7.047693 16.88880 7.904897 -2.298384      10.59044 
1 1 1 -36 16 11 o 13.17824 6.289790 0.8245973      22.64787 16.97554       31.66484 -16.09114      32.40588 15.42406 7.382195 13.10597 6.513157 2.318091       9.844695 
1 1 1 -36 16 12 o 23.70402 8.320102 59.72153       23.88779 62.55583       33.28868 56.71261       34.29884 20.42554 8.892792 19.38613 8.700947 1.039410       12.44139 
1 1 1 -36 16 13 o 28.53929 8.326378 79.20469       24.69268 55.86217       33.97036 105.3552       35.95560 19.20523 8.636219 26.39789 10.05021 -7.192663      13.25107 
1 1 1 -36 16 14 o 14.04613 6.596088 9.570779       23.05312 23.51595       32.17393 -5.142118      33.04770 15.74864 7.511110 13.63785 6.741934 2.110791       10.09309 
1 1 1 -36 16 15 o 15.13664 6.927792 18.60666       23.06887 30.00410       32.09250 6.421149       33.18347 16.23629 7.672924 14.30843 7.010283 1.927864       10.39316 
1 1 1 -36 16 16 f 13.05827 6.259053 1.348934       22.94644 -0.4710405     32.57105 3.142358       32.33261 13.82920 6.809266 14.05564 6.893310 -0.2264376     9.689366 
1 1 1 -36 16 17 o 13.62406 6.562569 4.978697       25.94897 29.37138       32.80138 -35.82000      42.42145 16.01288 7.622209 12.88655 6.536747 3.126328       10.04127 
1 1 1 -36 17 1  o 21.38753 7.698210 44.23185       20.56824 47.65557       29.44473 40.96921       28.74370 19.37480 8.400030 18.46963 8.145497 0.9051723      11.70084 
1 1 1 -36 17 2  o 14.64173 6.609479 13.43860       20.11692 -15.99369      28.13071 44.24440       28.77962 12.61019 6.231389 18.96465 8.262512 -6.354457      10.34888 
1 1 1 -36 17 3  o 16.69456 7.141262 24.92952       20.73740 6.238976       28.53754 45.84182       30.18606 14.38476 6.917013 18.93945 8.350251 -4.554688      10.84305 
1 1 1 -36 17 4  o 15.41160 6.873030 18.01940       21.03802 25.15278       29.07237 10.17741       30.48217 16.32257 7.579295 14.84764 7.141953 1.474936       10.41409 
1 1 1 -36 17 5  o 17.06385 7.287912 27.36622       21.53748 25.27588       29.67412 29.69319       31.30877 16.30103 7.598937 16.73342 7.802144 -0.4323940     10.89116 
1 1 1 -36 17 6  o 21.58982 7.978829 48.12849       22.30774 19.72064       30.57088 80.48224       32.62503 15.69006 7.436687 23.94256 9.445377 -8.252501      12.02163 
1 1 1 -36 17 7  o 13.11409 6.196589 2.475482       20.91747 3.295749       28.60828 1.533221       30.66193 14.05188 6.798564 14.08273 6.864834 -0.3084278E-01 9.661595 
1 1 1 -36 17 8  o 13.47980 6.413925 3.402348       23.17994 -11.61000      36.46885 13.57848       30.02542 13.70608 6.827428 15.00039 7.181871 -1.294313      9.909241 
1 1 1 -36 17 9  o 12.56275 6.135265 -8.303924      24.81727 -10.56990      29.14172 -2.323000      47.34472 12.98339 6.402001 14.73746 7.404520 -1.754073      9.788387 
1 1 1 -36 17 10 o 19.08542 8.224253 46.29685       27.88584 64.16041       33.45560 5.639000       50.47277 20.42289 8.902996 15.07926 7.585452 5.343628       11.69626 
1 1 1 -36 17 11 o 27.64560 8.392593 76.84940       24.69843 38.52127       34.77593 115.8592       35.08381 17.04170 8.033367 28.98254 10.08931 -11.94085      12.89687 
1 1 1 -36 17 12 o 17.01497 7.479960 31.02058       24.05854 13.37280       34.19982 48.30989       33.85069 14.86617 7.247471 18.03729 8.305549 -3.171124      11.02307 
1 1 1 -36 17 13 o 14.88690 6.848594 16.97879       22.94205 -9.215301      31.85533 45.20615       33.06859 13.17825 6.533301 17.71453 8.175629 -4.536280      10.46542 
1 1 1 -36 17 14 o 14.80544 6.829399 16.23498       23.03086 8.314726       32.36023 24.36455       32.78504 14.39834 7.026087 15.69035 7.510181 -1.292007      10.28439 
1 1 1 -36 17 15 o 17.61106 7.838006 39.02304       27.21748 3.164414       34.06747 102.3000       45.25493 14.01825 6.914115 20.83796 9.598081 -6.819709      11.82912 
1 1 1 -36 18 1  o 16.43363 7.028605 24.46951       20.08288 25.50035       27.91033 23.36277       28.91952 16.14983 7.473768 15.87917 7.434760 0.2706604      10.54196 
1 1 1 -36 18 2  o 16.97435 7.207861 27.57743       20.85477 23.65476       28.85956 31.86450       30.17029 15.91107 7.442348 16.78697 7.769268 -0.8759031     10.75872 
1 1 1 -36 18 3  o 18.57031 7.493674 35.13416       21.00425 18.27879       28.87614 54.07257       30.60849 15.32950 7.254503 19.69196 8.550806 -4.362458      11.21357 
1 1 1 -36 18 4  o 14.77269 6.709074 15.32553       21.10656 17.69636       29.22927 12.74235       30.51028 15.25869 7.243698 14.83634 7.138752 0.4223471      10.17020 
1 1 1 -36 18 5  o 16.81513 7.226868 27.39451       21.42412 27.54477       29.48273 27.22639       31.18550 16.26818 7.580539 16.17245 7.618615 0.9572411E-01  10.74746 
1 1 1 -36 18 6  o 14.17756 6.535406 11.62094       21.04041 14.84353       28.85019 7.959461       30.75204 14.91552 7.113433 14.39769 6.985455 0.5178328      9.969831 
1 1 1 -36 18 7  o 15.04782 6.779972 17.60230       21.05313 21.12406       29.27653 13.83076       30.29692 15.50414 7.327415 14.83012 7.130105 0.6740198      10.22396 
1 1 1 -36 18 8  o 16.51304 7.154831 26.40296       21.33506 51.45396       29.60922 -0.6486734     30.76884 19.26173 8.386506 13.67959 6.712084 5.582138       10.74177 
1 1 1 -36 18 9  o 12.43746 6.007753 -3.312614      22.11641 -2.075027      31.44773 -4.523735      31.10965 13.58718 6.690238 13.39633 6.607331 0.1908474      9.402985 
1 1 1 -36 18 10 o 12.09701 5.889756 -7.261863      22.38118 -18.94395      31.27742 4.996728       32.03988 12.53445 6.256248 14.09698 6.902876 -1.562532      9.316133 
1 1 1 -36 18 11 o 12.43789 6.122444 -10.42530      26.26903 -14.02225      31.07656 -1.422000      49.16616 12.80050 6.364161 14.54240 7.337011 -1.741902      9.712584 
1 1 1 -36 18 12 o 13.38134 6.365941 5.181627       22.81386 -2.646617      31.87370 13.40506       32.66832 13.54804 6.683256 14.71663 7.153946 -1.168595      9.790038 
1 1 1 -36 18 13 o 14.40752 6.827749 13.98259       25.75037 38.02546       32.26066 -28.23000      42.74655 16.73168 7.839895 13.07706 6.625605 3.654625       10.26463 
1 1 1 -36 19 1  o 15.38293 6.824635 20.31922       20.46996 1.889705       28.04989 41.31651       29.94028 13.56612 6.602452 17.60983 7.994841 -4.043709      10.36870 
1 1 1 -36 19 2  f 16.40164 7.109115 26.21647       21.07862 41.21102       28.97464 9.359613       30.72130 17.73282 7.974875 14.33569 6.961554 3.397126       10.58593 
1 1 1 -36 19 3  o 22.93973 7.943662 54.58434       21.73462 36.25469       30.01841 74.78163       31.51064 16.96235 7.814448 22.34931 9.119491 -5.386967      12.00961 
1 1 1 -36 19 4  o 12.46891 5.942575 0.1710871      20.06384 -20.24767      27.20888 24.50666       29.70413 11.89512 5.920769 15.68071 7.401758 -3.785587      9.478477 
1 1 1 -36 19 5  o 17.91282 7.421772 33.90962       21.28920 55.37526       29.91950 11.89595       30.29903 19.62362 8.487746 14.52283 7.019167 5.100786       11.01411 
1 1 1 -36 19 6  o 15.81256 7.003061 23.08265       21.46211 2.463473       29.60785 45.91337       31.15525 13.73653 6.706946 18.01403 8.169273 -4.277504      10.56978 
1 1 1 -36 19 7  o 15.63298 6.996933 22.14477       22.01239 61.69223       31.33805 -16.37075      30.92647 20.21487 8.714773 12.63093 6.291116 7.583943       10.74827 
1 1 1 -36 19 8  o 11.77508 5.751053 -9.593226      21.81894 -25.96893      30.20061 8.286869       31.55736 11.99945 6.012649 14.28119 6.962192 -2.281739      9.199133 
1 1 1 -36 19 9  o 13.77754 6.492177 9.525466       22.67326 21.64847       31.80248 -3.005979      32.33378 15.24551 7.323426 13.46348 6.658104 1.782029       9.897621 
1 1 1 -36 19 10 o 15.22745 7.087079 21.65112       25.64727 7.591910       31.67419 48.42000       43.70590 14.05061 6.876640 16.59452 8.112347 -2.543904      10.63477 
1 1 1 -36 20 1  o 16.52747 7.323905 29.96173       23.50698 21.06559       29.10878 46.64000       39.85648 15.10242 7.186430 16.73439 8.078815 -1.631968      10.81259 
1 1 1 -36 20 2  o 13.47702 6.404598 7.382552       22.96835 -27.36509      27.86722 80.99000       40.55943 11.46426 5.748926 19.59664 9.047871 -8.132374      10.71980 
1 1 1 -36 20 3  o 19.27114 7.927996 45.62338       24.06113 32.75272       29.49843 71.21000       41.59153 16.29825 7.590532 18.45048 8.723997 -2.152225      11.56392 
1 1 1 -35 0  1  o 26.15108 10.54136 61.48178       26.29984 61.48178       26.29984 61.48178       26.29984 26.15108 10.54136 26.15108 10.54136 -0.000000      0.000000 
1 1 1 -35 0  2  o 13.02868 8.354280 13.33707       24.11389 13.33707       24.11389 13.33707       24.11389 13.02868 8.354280 13.02868 8.354280 0.000000       0.000000 
1 1 1 -35 0  3  o 14.12459 8.806199 19.08895       24.74350 19.08895       24.74350 19.08895       24.74350 14.12459 8.806199 14.12459 8.806199 0.000000       0.000000 
1 1 1 -35 0  4  o 19.80336 10.40451 43.21612       26.67575 43.21612       26.67575 43.21612       26.67575 19.80336 10.40451 19.80336 10.40451 -0.000000      0.000000 
1 1 1 -35 0  5  o 26.52450 10.81227 64.54148       27.57770 64.54148       27.57770 64.54148       27.57770 26.52450 10.81227 26.52450 10.81227 0.000000       0.000000 
1 1 1 -35 0  6  o 11.23935 7.639120 -0.2455673     25.47527 -0.2455673     25.47527 -0.2455673     25.47527 11.23935 7.639120 11.23935 7.639120 -0.000000      0.000000 
1 1 1 -35 0  7  o 25.77889 10.79470 62.06503       27.30952 62.06503       27.30952 62.06503       27.30952 25.77889 10.79470 25.77889 10.79470 -0.000000      0.000000 
1 1 1 -35 0  8  o 26.94025 10.98666 67.13345       28.47090 67.13345       28.47090 67.13345       28.47090 26.94025 10.98666 26.94025 10.98666 -0.000000      0.000000 
1 1 1 -35 0  9  o 14.37293 8.957420 20.18147       25.57422 20.18147       25.57422 20.18147       25.57422 14.37293 8.957420 14.37293 8.957420 0.000000       0.000000 
1 1 1 -35 0  10 o 16.11390 9.582601 28.67548       26.42299 28.67548       26.42299 28.67548       26.42299 16.11390 9.582601 16.11390 9.582601 0.000000       0.000000 
1 1 1 -35 0  11 o 26.18084 11.37582 67.71928       30.16389 67.71928       30.16389 67.71928       30.16389 26.18084 11.37582 26.18084 11.37582 -0.000000      0.000000 
1 1 1 -35 0  12 o 12.53120 8.359544 7.725069       27.93082 7.725069       27.93082 7.725069       27.93082 12.53120 8.359544 12.53120 8.359544 -0.000000      0.000000 
1 1 1 -35 0  13 o 13.19513 8.652388 12.85445       27.92370 12.85445       27.92370 12.85445       27.92370 13.19513 8.652388 13.19513 8.652388 -0.000000      0.000000 
1 1 1 -35 0  14 o 22.15229 11.03949 54.34776       29.07267 54.34776       29.07267 54.34776       29.07267 22.15229 11.03949 22.15229 11.03949 0.000000       0.000000 
1 1 1 -35 0  15 o 12.38956 8.277114 7.305828       27.55709 7.305828       27.55709 7.305828       27.55709 12.38956 8.277114 12.38956 8.277114 -0.000000      0.000000 
1 1 1 -35 0  16 o 10.78188 7.484752 -7.140306      27.63859 -7.140306      27.63859 -7.140306      27.63859 10.78188 7.484752 10.78188 7.484752 -0.000000      0.000000 
1 1 1 -35 0  17 o 10.06535 7.092293 -15.01668      27.61331 -15.01668      27.61331 -15.01668      27.61331 10.06535 7.092293 10.06535 7.092293 0.000000       0.000000 
1 1 1 -35 0  18 o 16.42315 10.93223 36.45000       47.32807 36.45000       47.32807 36.45000       47.32807 16.42315 10.93223 16.42315 10.93223 0.000000       0.000000 
1 1 1 -35 0  19 o 15.28820 10.53191 23.04000       52.17304 23.04000       52.17304 23.04000       52.17304 15.28820 10.53191 15.28820 10.53191 0.000000       0.000000 
1 1 1 -35 0  20 o 14.14578 9.790032 11.18000       46.37241 11.18000       46.37241 11.18000       46.37241 14.14578 9.790032 14.14578 9.790032 0.000000       0.000000 
1 1 1 -35 0  21 o 18.14008 10.63397 41.99545       31.72389 41.99545       31.72389 41.99545       31.72389 18.14008 10.63397 18.14008 10.63397 -0.000000      0.000000 
1 1 1 -35 0  22 o 22.73039 11.47275 60.78561       31.60084 60.78561       31.60084 60.78561       31.60084 22.73039 11.47275 22.73039 11.47275 0.000000       0.000000 
1 1 1 -35 0  23 o 12.11694 8.481240 -4.940000      37.55156 -4.940000      37.55156 -4.940000      37.55156 12.11694 8.481240 12.11694 8.481240 0.000000       0.000000 
1 1 1 -35 0  24 o 12.82550 8.881006 3.387000       38.28851 3.387000       38.28851 3.387000       38.28851 12.82550 8.881006 12.82550 8.881006 0.000000       0.000000 
1 1 1 -35 0  25 o 18.10803 10.70108 43.59144       32.57730 43.59144       32.57730 43.59144       32.57730 18.10803 10.70108 18.10803 10.70108 0.000000       0.000000 
1 1 1 -35 0  26 o 15.44093 9.781697 29.52254       31.87726 29.52254       31.87726 29.52254       31.87726 15.44093 9.781697 15.44093 9.781697 0.000000       0.000000 
1 1 1 -35 0  27 o 15.43033 9.721430 29.83030       31.00324 29.83030       31.00324 29.83030       31.00324 15.43033 9.721430 15.43033 9.721430 0.000000       0.000000 
1 1 1 -35 0  28 o 12.13136 8.278828 6.008708       30.56519 6.008708       30.56519 6.008708       30.56519 12.13136 8.278828 12.13136 8.278828 0.000000       0.000000 
1 1 1 -35 0  29 o 12.07719 8.268948 6.037908       31.04453 6.037908       31.04453 6.037908       31.04453 12.07719 8.268948 12.07719 8.268948 0.000000       0.000000 
1 1 1 -35 0  30 o 8.940809 6.486218 -36.99244      31.07465 -36.99244      31.07465 -36.99244      31.07465 8.940809 6.486218 8.940809 6.486218 -0.000000      0.000000 
1 1 1 -35 0  31 o 13.65281 9.463100 18.95000       43.74208 18.95000       43.74208 18.95000       43.74208 13.65281 9.463100 13.65281 9.463100 0.000000       0.000000 
1 1 1 -35 1  1  o 17.70500 6.940660 22.11053       17.51958 6.628240       24.63578 37.95150       24.91952 15.35044 7.074522 20.78246 8.237212 -5.432014      10.85820 
1 1 1 -35 1  2  o 20.33807 7.254857 31.59955       18.22323 -11.96118      25.12247 79.97197       26.47365 13.36621 6.443100 31.30125 8.446575 -17.93504      10.62347 
1 1 1 -35 1  3  o 24.76513 7.237329 45.62094       18.64208 55.89563       26.40148 35.40457       26.32643 24.66476 8.739089 20.06416 8.277443 4.600605       12.03693 
1 1 1 -35 1  4  o 38.88279 5.459280 93.16998       20.20622 90.32248       28.59866 96.00845       28.55322 32.89185 8.736269 34.51052 8.507668 -1.618668      12.19438 
1 1 1 -35 1  5  o 30.14562 6.776543 62.76199       19.50818 63.10527       27.93012 62.43499       27.25957 25.90500 9.003062 26.01321 8.900554 -0.1082134     12.65998 
1 1 1 -35 1  6  o 17.25423 6.993361 20.41852       18.38414 13.30163       25.94663 27.59326       26.05190 16.39647 7.443417 18.63696 7.988852 -2.240494      10.91908 
1 1 1 -35 1  7  o 17.72032 7.039685 22.27987       18.24029 24.08702       25.82864 20.48193       25.76281 18.03621 7.843109 17.44793 7.702530 0.5882816      10.99288 
1 1 1 -35 1  8  o 26.11945 7.205507 50.07150       19.01991 41.92928       27.03366 58.05255       26.76477 21.29258 8.532970 25.09597 8.807024 -3.803392      12.26276 
1 1 1 -35 1  9  o 25.98594 7.322632 50.20238       19.41936 64.10357       27.66239 36.69464       27.26812 26.31156 8.966930 20.24529 8.394878 6.066267       12.28331 
1 1 1 -35 1  10 o 18.70287 7.239209 26.12579       18.86758 34.13025       26.29043 17.62500       27.09325 19.84529 8.237237 17.10286 7.699872 2.742435       11.27564 
1 1 1 -35 1  11 o 10.49590 5.150826 -22.72146      18.14352 -14.89150      25.01196 -31.41725      26.35860 13.07413 6.333017 12.09101 5.985165 0.9831152      8.713742 
1 1 1 -35 1  12 o 17.24893 7.141043 20.59977       19.68754 49.33877       28.03477 -7.363700      27.65392 22.52870 8.794989 14.22826 6.833293 8.300433       11.13758 
1 1 1 -35 1  13 o 15.98404 6.885231 14.90685       19.53052 8.134267       27.40558 21.89594       27.84019 15.75920 7.331668 17.58082 7.868780 -1.821624      10.75505 
1 1 1 -35 1  14 o 22.97827 7.705147 42.94868       20.42259 22.73496       28.63653 63.87038       29.13371 17.68026 7.941622 25.27476 9.153337 -7.594500      12.11829 
1 1 1 -35 1  15 o 11.43536 5.534976 -15.36273      19.01281 -6.372528      26.90114 -24.33563      26.87524 14.13395 6.775265 12.62836 6.211586 1.505588       9.191736 
1 1 1 -35 1  16 o 13.51683 6.244098 0.8734428      19.35410 28.41411       27.42335 -26.45725      27.31861 18.51488 8.066031 12.55387 6.191785 5.961010       10.16853 
1 1 1 -35 1  17 o 16.40581 7.338620 15.79764       24.17751 15.45823       28.40566 16.69000       46.05934 16.63595 7.641258 17.54687 8.521650 -0.9109173     11.44584 
1 1 1 -35 1  18 o 20.56223 9.614763 57.75000       48.10144 57.75000       48.10144 0.000000       0.000000 20.56223 9.614763 ?        ?        ?              ?        
1 1 1 -35 1  19 o 19.52024 8.685934 37.92400       33.40741 85.37000       46.60312 -12.23000      47.91461 23.54337 10.37792 16.01568 7.952491 7.527685       13.07453 
1 1 1 -35 1  20 o 17.19082 7.606707 20.78966       25.26673 52.82000       46.54754 7.409518       30.08474 20.17283 9.440966 15.81550 7.460403 4.357338       12.03285 
1 1 1 -35 1  21 o 16.18514 7.567282 11.31699       29.78349 0.000000       0.000000 11.31699       29.78349 ?        ?        16.18514 7.567282 ?              ?        
1 1 1 -35 1  22 o 15.78527 7.428587 8.712447       29.51370 -3.339000      38.25201 26.44000       46.39371 15.57782 7.609735 17.95544 8.680020 -2.377629      11.54343 
1 1 1 -35 1  23 o 12.44055 6.046629 -14.98193      23.31494 -36.15000      37.49053 -1.632404      29.77241 13.56120 6.781002 14.75064 7.085738 -1.189439      9.807633 
1 1 1 -35 1  24 o 30.10629 9.220078 87.17308       29.72269 61.12000       41.46777 114.7000       42.62457 21.08469 9.506279 28.53176 10.92305 -7.447073      14.48041 
1 1 1 -35 1  25 o 13.51492 6.466161 -5.519344      24.24744 3.697185       31.13285 -19.73000      38.65825 15.34688 7.338401 14.52744 7.201306 0.8194342      10.28158 
1 1 1 -35 1  26 o 16.61670 7.217360 20.13079       21.81843 8.593158       30.58294 32.08974       31.13633 15.58789 7.402736 18.25020 8.232027 -2.662315      11.07099 
1 1 1 -35 1  27 o 16.75097 7.253095 21.41690       21.89569 49.04537       31.03957 -5.948276      30.89131 20.58591 8.769313 14.26701 6.940221 6.318896       11.18336 
1 1 1 -35 1  28 o 16.92747 7.346319 23.26843       22.56693 7.937703       31.31141 39.83985       32.55375 15.33083 7.338461 18.78555 8.450295 -3.454719      11.19198 
1 1 1 -35 1  29 o 13.83172 6.491107 3.829896       22.26158 -6.253232      30.72766 14.96865       32.29611 13.95702 6.818494 15.83335 7.544206 -1.876325      10.16892 
1 1 1 -35 1  30 o 21.98290 8.129022 49.00953       23.16164 47.77600       32.05828 50.35652       33.50029 19.35469 8.566023 19.46904 8.678375 -0.1143475     12.19389 
1 1 1 -35 1  31 o 15.84492 7.451274 19.36476       29.59954 8.127000       40.23575 32.62000       43.69845 15.30564 7.542392 16.83878 8.205419 -1.533137      11.14525 
1 1 1 -35 2  1  o 30.96380 6.656555 65.34541       19.57441 40.36456       27.01229 92.96854       28.40497 20.97354 8.485673 33.77635 8.577104 -12.80281      12.06538 
1 1 1 -35 2  2  o 23.43568 7.371104 41.91546       18.85531 17.74092       26.17890 67.97453       27.18014 17.05234 7.631454 27.51962 8.872249 -10.46729      11.70282 
1 1 1 -35 2  3  o 18.84574 7.160396 26.47509       18.22821 19.02333       25.37940 34.41484       26.19722 17.20496 7.617778 19.88847 8.235971 -2.683506      11.21881 
1 1 1 -35 2  4  o 13.68207 6.175815 3.733827       17.55988 -5.189511      24.99802 12.42594       24.67202 14.01616 6.666737 16.15459 7.303437 -2.138433      9.888659 
1 1 1 -35 2  5  o 18.28310 7.069262 24.35479       17.97802 1.869271       25.29323 47.31418       25.55836 14.85204 6.953581 22.80460 8.518863 -7.952563      10.99651 
1 1 1 -35 2  6  o 26.75694 7.234319 52.54160       19.39734 55.27666       27.74098 49.92510       27.13308 24.05648 8.896297 22.99367 8.736121 1.062813       12.46852 
1 1 1 -35 2  7  o 35.11256 6.072406 79.64452       20.11540 71.86209       28.57225 87.29247       28.32431 27.85996 9.105376 32.21997 8.754846 -4.360014      12.63152 
1 1 1 -35 2  8  o 19.96926 7.398219 30.92418       19.20037 42.89990       26.57321 17.84225       27.77339 21.58661 8.521803 17.16735 7.756277 4.419260       11.52306 
1 1 1 -35 2  9  o 15.91959 6.803047 14.35869       18.78611 33.68100       26.14122 -6.277655      27.01548 19.77439 8.211338 14.28187 6.830989 5.492519       10.68122 
1 1 1 -35 2  10 f 11.70773 5.598723 -11.08304      18.12932 -31.52736      25.15195 11.02424       26.15490 11.79941 5.841846 16.11758 7.376706 -4.318172      9.409726 
1 1 1 -35 2  11 o 10.85373 5.288009 -18.88825      18.12642 0.1335101      25.19557 -39.29619      26.09748 14.63158 6.878793 11.51912 5.744015 3.112455       8.961668 
1 1 1 -35 2  12 o 11.66484 5.589909 -11.49233      18.27975 -17.51871      24.85059 -4.386860      26.98391 12.75761 6.210217 14.38282 6.864946 -1.625204      9.257120 
1 1 1 -35 2  13 o 14.20603 6.402023 5.847441       18.78250 15.66920       25.90804 -5.033406      27.26912 16.58680 7.492885 14.32660 6.855243 2.260199       10.15567 
1 1 1 -35 2  14 o 17.18134 7.177891 20.66889       20.15137 16.52164       28.86675 24.61098       28.14369 16.86759 7.731094 17.94125 7.978490 -1.073656      11.10973 
1 1 1 -35 2  15 o 18.57834 7.415564 26.77285       20.33413 50.85519       28.83798 2.959761       28.67632 22.50511 8.879660 15.31942 7.243652 7.185685       11.45944 
1 1 1 -35 2  16 o 18.43244 7.828857 27.46609       24.61298 28.85259       28.94960 23.85000       46.75205 18.52344 8.171701 18.08952 8.737157 0.4339256      11.96305 
1 1 1 -35 2  17 o 14.46632 6.920676 -3.675716      27.76132 -3.675716      27.76132 0.000000       0.000000 14.46632 6.920676 ?        ?        ?              ?        
1 1 1 -35 2  18 o 13.58005 6.683460 -21.81733      31.25740 -40.63000      43.14405 -1.034000      45.34749 14.26358 7.152757 16.43081 8.079305 -2.167233      10.79060 
1 1 1 -35 2  19 f 13.64304 6.719002 -21.94770      31.76827 -12.38000      44.39314 -31.99000      45.48084 15.72003 7.779005 14.88304 7.445952 0.8369837      10.76825 
1 1 1 -35 2  20 o 12.48744 6.097051 -18.51041      24.46728 37.55000       46.31924 -40.20675      28.81553 18.93321 9.025017 11.95708 5.973737 6.976136       10.82296 
1 1 1 -35 2  21 o 11.15218 5.558630 -36.20160      24.32825 -35.93000      48.83342 -36.29126      28.05805 15.00368 7.535789 12.01173 5.984251 2.991955       9.622856 
1 1 1 -35 2  22 o 22.93968 8.255680 48.09340       23.65401 51.06000       37.24691 46.08831       30.62154 20.59345 9.166997 20.80305 8.779148 -0.2095985     12.69280 
1 1 1 -35 2  23 o 13.63547 6.673022 -15.41232      29.81155 -0.1999000     38.81983 -37.28000      46.54315 15.75607 7.690118 14.57507 7.325449 1.181000       10.62074 
1 1 1 -35 2  24 o 22.57583 8.459032 49.24154       25.23979 49.35343       32.44345 49.07000       40.17088 20.90242 8.936515 19.91236 9.124178 0.9900646      12.77153 
1 1 1 -35 2  25 o 16.07404 7.275521 15.16538       24.56880 30.07823       31.12324 -9.495000      40.02251 18.21158 8.221007 15.23475 7.510311 2.976825       11.13507 
1 1 1 -35 2  26 o 19.58643 8.082057 36.96923       25.10533 38.71825       31.22260 33.77000       42.22737 19.12539 8.459612 18.05398 8.609042 1.071411       12.06982 
1 1 1 -35 2  27 o 18.47680 7.637996 30.42155       22.47718 43.54219       31.39695 16.62708       32.19306 19.64296 8.592584 16.33790 7.710042 3.305059       11.54458 
1 1 1 -35 2  28 o 12.19809 5.911385 -11.39527      21.85674 -5.870743      30.26735 -17.41531      31.59559 14.05921 6.846035 13.42141 6.627017 0.6377945      9.528145 
1 1 1 -35 2  29 o 18.49108 7.699820 32.84742       23.07734 45.60191       32.17548 19.33517       33.11749 19.27976 8.554707 16.23666 7.708687 3.043098       11.51550 
1 1 1 -35 2  30 o 16.43373 7.243621 22.51453       22.70148 22.29185       31.32173 22.76097       32.94959 16.33347 7.675992 16.38372 7.752182 -0.5024719E-01 10.90950 
1 1 1 -35 2  31 f 16.68775 7.713421 27.19033       29.59761 22.82000       40.48106 32.21000       43.38426 16.19334 7.892380 16.78161 8.177181 -0.5882683     11.36468 
1 1 1 -35 3  1  o 31.52725 6.601086 67.32813       19.71652 78.29226       27.97074 56.49993       27.79681 29.93944 8.895854 24.34432 8.921925 5.595119       12.59909 
1 1 1 -35 3  2  o 16.14579 6.783438 15.70643       18.15285 13.69617       25.60122 17.73909       25.74340 16.42510 7.431360 17.02841 7.597896 -0.6033096     10.62794 
1 1 1 -35 3  3  o 31.24839 6.631196 66.37994       19.65415 56.80826       27.69286 76.09438       27.89861 24.44179 8.913488 29.35977 8.921147 -4.917978      12.61099 
1 1 1 -35 3  4  o 32.47629 6.451049 70.44539       19.78393 68.90242       27.89761 72.00643       28.06050 27.41061 8.999492 28.15614 9.008754 -0.7455292     12.73375 
1 1 1 -35 3  5  o 17.64835 7.029624 22.00554       18.23479 17.36975       26.20664 26.35643       25.38859 16.99261 7.617780 18.42832 7.892688 -1.435711      10.96928 
1 1 1 -35 3  6  o 21.58759 7.284866 35.64458       18.25405 35.47150       25.93583 35.81446       25.69610 20.11492 8.248280 20.21152 8.239733 -0.9660721E-01 11.65879 
1 1 1 -35 3  7  o 19.18591 7.322180 28.06423       19.11460 35.98745       26.29003 19.17867       27.84085 20.19321 8.295033 17.34924 7.808557 2.843973       11.39215 
1 1 1 -35 3  8  o 19.27730 7.344853 28.40582       19.21282 19.72855       26.90970 37.42854       27.44012 17.39838 7.765193 20.35876 8.429752 -2.960379      11.46119 
1 1 1 -35 3  9  o 12.70685 5.944523 -3.951275      18.42419 6.787786       25.56987 -15.54720      26.57040 15.50197 7.166770 13.35088 6.481201 2.151089       9.662741 
1 1 1 -35 3  10 o 13.70603 6.261486 2.338200       18.73109 -9.836467      25.85466 15.78719       27.17410 13.71363 6.591601 16.83453 7.632433 -3.120900      10.08480 
1 1 1 -35 3  11 o 13.56706 6.200566 2.088428       18.39324 -3.375014      25.21531 8.301333       26.88924 14.21644 6.742822 15.79878 7.319848 -1.582343      9.952177 
1 1 1 -35 3  12 o 16.65097 6.992665 18.13344       19.27699 -3.036188      26.72532 41.09244       27.83190 14.45642 6.880986 20.80873 8.539915 -6.352308      10.96714 
1 1 1 -35 3  13 o 19.57514 7.417419 30.33915       19.52837 33.48520       26.71922 26.73146       28.61244 19.45373 8.204728 18.25954 8.086391 1.194185       11.51987 
1 1 1 -35 3  14 o 17.39356 7.165058 21.62010       19.68719 36.14071       27.03703 5.231874       28.72319 19.90816 8.315469 15.55419 7.322504 4.353972       11.07999 
1 1 1 -35 3  15 o 11.97960 5.773090 -13.17553      20.13584 2.863702       26.31724 -35.82309      31.27226 14.99631 7.043968 12.76432 6.352441 2.231989       9.485304 
1 1 1 -35 3  16 o 15.56716 7.522832 -1.338063      34.77228 8.458000       46.12880 -14.23000      52.91825 17.05933 8.338418 16.30796 8.139387 0.7513676      11.65242 
1 1 1 -35 3  17 o 11.67544 5.759531 -26.62102      23.67270 -37.18136      27.87037 0.7313000      44.85396 11.94874 5.954686 16.49795 8.096803 -4.549212      10.05070 
1 1 1 -35 3  18 o 15.83482 7.186467 12.06165       24.16573 20.99635       28.35217 -11.67000      46.20726 17.33933 7.835072 15.91870 7.887814 1.420629       11.11782 
1 1 1 -35 3  19 f 16.64963 7.422014 17.50586       24.50616 43.00000       45.86894 7.321958       28.99049 19.38864 9.165802 15.70262 7.381180 3.686012       11.76834 
1 1 1 -35 3  20 o 15.11818 7.017900 6.371109       24.89601 43.26000       48.40804 -6.894800      29.02941 19.29709 9.206190 14.32718 6.911244 4.969904       11.51170 
1 1 1 -35 3  21 o 12.82048 6.326622 -25.35535      28.65127 0.000000       0.000000 -25.35535      28.65127 ?        ?        12.82048 6.326622 ?              ?        
1 1 1 -35 3  22 o 14.88237 7.095747 1.019035       28.66763 0.000000       0.000000 1.019035       28.66763 ?        ?        14.88237 7.095747 ?              ?        
1 1 1 -35 3  23 o 14.43957 6.712796 4.332553       22.90841 -16.27000      36.45158 17.78177       29.45129 14.49123 7.148263 16.70940 7.713090 -2.218170      10.51615 
1 1 1 -35 3  24 o 14.92739 6.969573 5.903193       25.12144 -5.875733      29.06818 40.66000       49.93269 14.26753 6.890711 18.71819 9.038013 -4.450665      11.36519 
1 1 1 -35 3  25 o 34.44662 8.094437 95.71410       26.82701 71.60846       32.87052 143.8000       46.42545 24.67095 9.553525 31.40056 11.52659 -6.729610      14.97104 
1 1 1 -35 3  26 o 18.27233 7.850763 30.23389       25.26837 31.50679       31.27289 27.84000       42.88677 18.11572 8.203131 17.56344 8.454193 0.5522842      11.77984 
1 1 1 -35 3  27 o 15.57311 6.980512 14.79567       21.99759 -5.236978      30.58652 36.25888       31.65980 14.24952 6.925816 18.55181 8.340289 -4.302294      10.84100 
1 1 1 -35 3  28 o 14.64182 6.728904 9.459950       22.06801 -2.504993      30.95099 21.83215       31.47333 14.36886 6.979940 16.62954 7.776342 -2.260676      10.44945 
1 1 1 -35 3  29 o 15.05585 6.860667 13.19948       22.30416 8.873657       30.98266 17.85294       32.13457 15.15767 7.267349 16.03477 7.607201 -0.8771009     10.52064 
1 1 1 -35 3  30 o 12.86517 6.160098 -3.460445      22.10000 -23.66707      30.41706 19.13437       32.16434 12.64649 6.289033 16.03507 7.608325 -3.388583      9.871096 
1 1 1 -35 4  1  o 39.71734 5.482577 97.34514       20.74638 49.26744       28.58797 150.8354       30.15428 22.50035 8.852341 47.23343 6.710826 -24.73309      11.10852 
1 1 1 -35 4  2  o 42.18145 5.246588 107.9339       21.19543 109.4099       30.58704 106.5703       29.39804 36.75318 8.647580 36.82866 8.348419 -0.7548141E-01 12.01985 
1 1 1 -35 4  3  o 23.60795 7.375409 42.52489       18.90941 71.25696       27.48858 16.71546       26.05302 28.24270 8.902346 16.88683 7.580908 11.35587       11.69281 
1 1 1 -35 4  4  f 23.25520 7.365125 41.33019       18.79462 39.07542       26.58590 43.58284       26.57332 20.75647 8.410968 21.70491 8.536140 -0.9484406     11.98374 
1 1 1 -35 4  5  o 16.79767 6.893272 18.55047       18.13202 16.60831       25.75625 20.45871       25.53034 16.85459 7.554267 17.43614 7.683727 -0.5815544     10.77528 
1 1 1 -35 4  6  o 16.56708 6.926927 17.40319       18.78979 30.21870       26.05057 3.505996       27.12769 19.11470 8.083573 15.31203 7.179336 3.802673       10.81143 
1 1 1 -35 4  7  o 20.92450 7.479822 34.36277       19.38119 27.39072       26.85496 41.94156       27.99911 18.60015 8.043193 21.14866 8.608815 -2.548515      11.78154 
1 1 1 -35 4  8  o 27.79016 7.261552 56.45765       19.96758 66.56264       27.93031 45.89413       28.55697 26.80359 9.011024 21.82942 8.762539 4.974176       12.56903 
1 1 1 -35 4  9  o 19.35635 7.426862 29.01271       19.73486 13.77372       27.83385 44.41809       27.98538 16.61654 7.606843 21.62053 8.675879 -5.003992      11.53841 
1 1 1 -35 4  10 o 17.89684 7.190203 23.19390       19.24566 41.83535       26.93584 3.751899       27.50813 21.24107 8.515743 15.36470 7.212127 5.876370       11.15942 
1 1 1 -35 4  11 o 14.98956 6.612613 9.961748       18.95606 19.73837       26.15238 -0.8604715     27.51536 17.24029 7.677425 14.81038 7.030074 2.429912       10.40984 
1 1 1 -35 4  12 o 12.77406 5.985795 -3.606422      18.81011 13.41941       26.27762 -21.49833      26.93768 16.29654 7.433992 12.85138 6.300500 3.445156       9.744770 
1 1 1 -35 4  13 o 13.82492 6.349445 2.575322       19.60629 1.101958       26.41272 4.383516       29.26042 14.79967 6.983985 15.51503 7.330408 -0.7153549     10.12477 
1 1 1 -35 4  14 f 18.62779 7.690314 27.78844       22.74574 55.45021       27.71461 -29.29000      39.81116 23.81487 8.875958 14.44947 7.187188 9.365407       11.42096 
1 1 1 -35 4  15 o 15.94933 7.615755 4.713334       33.28046 15.13000       45.76762 -6.975000      48.48085 17.49708 8.496813 16.38505 8.111885 1.112038       11.74728 
1 1 1 -35 4  16 o 21.25968 8.167945 40.66152       23.89146 30.20050       27.19700 76.02000       50.00125 18.74371 8.099739 21.99572 10.11589 -3.252014      12.95905 
1 1 1 -35 4  17 o 18.17316 7.735024 26.31218       24.11410 42.13840       28.17914 -16.98000      46.60622 20.75124 8.562606 15.68509 7.797561 5.066150       11.58103 
1 1 1 -35 4  18 o 11.17628 5.461987 -19.89872      19.76996 -20.33640      27.36483 -19.42086      28.59352 12.96833 6.356273 13.27205 6.503535 -0.3037167     9.093853 
1 1 1 -35 4  19 o 10.98025 5.393303 -22.82317      20.03181 -10.19782      28.03227 -35.99810      28.63589 13.88420 6.720405 12.16048 6.056291 1.723727       9.046685 
1 1 1 -35 4  20 o 17.19288 7.819165 20.24928       28.79382 0.000000       0.000000 20.24928       28.79382 ?        ?        17.19288 7.819165 ?              ?        
1 1 1 -35 4  21 o 17.88373 8.043087 25.85702       29.47596 0.000000       0.000000 25.85702       29.47596 ?        ?        17.88373 8.043087 ?              ?        
1 1 1 -35 4  22 o 18.13899 8.165584 28.86868       30.46162 0.000000       0.000000 28.86868       30.46162 ?        ?        18.13899 8.165584 ?              ?        
1 1 1 -35 4  23 o 15.11764 6.813431 10.63866       21.27930 8.285599       29.58250 13.16162       30.63189 15.65138 7.387513 16.23832 7.618520 -0.5869341     10.61212 
1 1 1 -35 4  24 o 16.65692 7.230206 19.40653       21.86730 25.16409       30.49168 13.30961       31.37741 17.61680 8.025328 16.29972 7.667222 1.317074       11.09920 
1 1 1 -35 4  25 o 14.84220 6.887267 7.130539       23.94426 10.09149       28.72836 0.3938000      43.33311 15.66292 7.357868 15.95574 7.855896 -0.2928247     10.76352 
1 1 1 -35 4  26 o 16.25387 7.330187 17.89014       24.67463 26.36212       29.37605 -2.408000      45.47045 17.46728 7.925785 15.76982 7.815913 1.697456       11.13133 
1 1 1 -35 4  27 o 16.79570 7.449205 22.31483       24.37016 14.15247       29.88082 38.53000       42.11584 15.90019 7.480175 18.15384 8.640062 -2.253643      11.42820 
1 1 1 -35 4  28 o 12.77554 6.114433 -4.969510      21.72024 -12.01850      29.77300 3.050238       31.75702 13.47240 6.608820 14.84780 7.178625 -1.375400      9.757518 
1 1 1 -35 4  29 o 15.00792 6.845811 13.16122       22.28024 3.725331       30.87815 23.40967       32.18021 14.66343 7.086830 16.52324 7.769966 -1.859817      10.51644 
1 1 1 -35 4  30 o 13.16347 6.260971 -0.6576627     22.04434 -9.867762      30.46919 9.458728       31.93313 13.54114 6.651252 15.16270 7.297705 -1.621558      9.873988 
1 1 1 -35 5  1  o 18.83190 7.201097 26.50611       18.51110 3.948308       26.46303 48.11964       25.90324 15.27425 7.138654 22.92020 8.573294 -7.645942      11.15624 
1 1 1 -35 5  2  o 20.17907 7.328506 31.36350       18.69273 20.46752       26.46253 42.21508       26.40857 17.47872 7.756713 21.45905 8.487867 -3.980324      11.49828 
1 1 1 -35 5  3  o 15.82780 6.756625 14.10280       18.49526 17.45991       26.92592 11.10386       25.44902 17.05716 7.677959 16.04950 7.319206 1.007668       10.60763 
1 1 1 -35 5  4  o 17.85920 7.109499 22.84781       18.64099 22.45086       26.41727 23.24148       26.30776 17.78721 7.828089 17.91150 7.849514 -0.1242943     11.08575 
1 1 1 -35 5  5  o 36.05182 6.139126 84.28646       20.88844 78.57917       29.01933 90.42318       30.09125 29.43223 9.127568 31.98510 9.149753 -2.552864      12.92403 
1 1 1 -35 5  6  o 40.19044 5.668705 100.9926       21.68180 87.87656       30.07178 115.1927       31.28989 31.30152 9.204243 37.80453 8.644382 -6.503006      12.62709 
1 1 1 -35 5  7  o 39.87524 5.692007 99.61032       21.58669 107.4583       30.42380 91.65373       30.63366 36.35555 8.671412 31.95219 9.260243 4.403355       12.68643 
1 1 1 -35 5  8  o 33.48351 6.573854 75.56306       20.77613 73.25647       29.09959 77.96136       29.67255 27.94366 9.192192 28.86876 9.266658 -0.9250946     13.05248 
1 1 1 -35 5  9  o 11.88541 5.665307 -9.765078      18.24894 -17.36460      25.03456 -1.148209      26.65763 12.84517 6.248385 14.70739 6.963106 -1.862214      9.355596 
1 1 1 -35 5  10 o 16.04007 6.843719 15.28960       18.95778 7.508517       26.24696 23.77656       27.41165 15.58079 7.223373 17.88725 7.918534 -2.306465      10.71822 
1 1 1 -35 5  11 o 16.62518 7.045913 18.01719       19.86283 19.22731       27.65777 16.72831       28.54375 17.17983 7.753039 16.89189 7.721693 0.2879410      10.94231 
1 1 1 -35 5  12 o 20.76460 7.717381 35.80074       20.92342 64.89375       28.32203 0.8434162      31.04553 25.82703 9.059918 15.37709 7.346096 10.44994       11.66393 
1 1 1 -35 5  13 o 20.25428 7.986737 35.51703       23.31715 49.48962       28.50332 7.250000       40.54125 22.26917 8.814989 16.72945 8.093823 5.539721       11.96721 
1 1 1 -35 5  14 o 17.14316 8.001346 17.03231       33.06350 19.49000       46.23502 14.46000       47.30091 17.82475 8.628489 17.53607 8.543365 0.2886715      12.14248 
1 1 1 -35 5  15 o 11.38341 5.618969 -27.10716      22.65292 -45.14978      25.77687 34.09000       47.47293 11.01083 5.522611 18.75141 8.991802 -7.740583      10.55233 
1 1 1 -35 5  16 o 13.14185 6.291292 -8.258641      23.02564 -16.20537      26.25561 18.21000       47.91747 13.07261 6.367989 17.66220 8.603484 -4.589589      10.70380 
1 1 1 -35 5  17 o 19.37288 7.515835 30.46103       20.37242 18.62342       27.33608 45.24925       30.55359 16.96380 7.676672 20.92545 8.796582 -3.961649      11.67524 
1 1 1 -35 5  18 o 15.24665 6.750287 11.37119       19.92524 34.25452       27.47378 -14.02063      28.94049 19.36328 8.249428 13.72879 6.687191 5.634489       10.61940 
1 1 1 -35 5  19 o 14.17830 6.596837 2.235626       22.19591 -33.70000      35.15309 26.06072       28.62320 13.45777 6.703638 17.98732 8.019607 -4.529554      10.45241 
1 1 1 -35 5  20 o 13.67654 6.662062 -13.87754      28.73317 0.000000       0.000000 -13.87754      28.73317 ?        ?        13.67654 6.662062 ?              ?        
1 1 1 -35 5  21 o 20.40056 8.748410 44.32262       31.26497 0.000000       0.000000 44.32262       31.26497 ?        ?        20.40056 8.748410 ?              ?        
1 1 1 -35 5  22 o 10.78963 5.416508 -44.27093      25.07057 -72.37000      47.61343 -33.49208      29.48966 13.45288 6.834444 12.37575 6.160643 1.077123       9.201258 
1 1 1 -35 5  23 o 12.81422 6.247298 -15.47786      25.41689 -4.031000      48.81784 -19.73474      29.77012 16.15521 8.022682 13.28936 6.536886 2.865849       10.34864 
1 1 1 -35 5  24 o 14.01636 6.482358 3.664109       20.94789 -1.944451      28.68907 10.06912       30.65848 14.54105 6.977361 15.90018 7.509701 -1.359138      10.25081 
1 1 1 -35 5  25 f 11.62593 5.670674 -16.81680      21.01227 2.805578       28.51527 -40.13074      31.08204 14.83449 7.074018 12.20302 6.112501 2.631467       9.349031 
1 1 1 -35 5  26 o 18.64809 7.887621 32.55553       24.81006 35.24923       30.68513 27.47000       42.16201 18.54757 8.284119 17.43353 8.389315 1.114040       11.79013 
1 1 1 -35 5  27 o 28.78527 9.736788 94.18187       32.61016 94.18187       32.61016 0.000000       0.000000 28.78527 9.736788 ?        ?        ?              ?        
1 1 1 -35 5  28 o 13.83254 6.486246 3.827572       22.15144 57.40709       31.33332 -49.70776      31.32040 21.35854 8.938720 11.56958 5.839451 9.788963       10.67707 
1 1 1 -35 5  29 o 16.59803 7.286056 23.52876       22.75173 42.21953       31.58471 3.370293       32.80138 18.65354 8.362630 14.72230 7.159392 3.931241       11.00865 
1 1 1 -35 5  30 o 16.61507 7.276408 23.92619       22.57220 -5.244457      31.22300 55.86318       32.66995 13.89821 6.807372 20.29454 8.823059 -6.396337      11.14391 
1 1 1 -35 6  1  o 21.48382 7.414969 35.86116       18.93152 -14.34541      27.19346 83.07975       26.37186 13.57590 6.582540 32.28935 8.299134 -18.71345      10.59271 
1 1 1 -35 6  2  o 16.26699 6.832355 16.15492       18.40719 5.371402       26.98620 25.53715       25.17181 15.50816 7.235070 18.29900 7.848533 -2.790834      10.67453 
1 1 1 -35 6  3  o 19.97222 7.379179 30.89070       19.07858 33.81950       27.34615 28.11320       26.63046 19.68319 8.300906 18.71704 8.050944 0.9661465      11.56386 
1 1 1 -35 6  4  o 38.11866 5.900048 92.48487       21.30347 71.07777       29.26169 116.6279       31.07536 27.33139 9.223413 38.32318 8.506207 -10.99179      12.54699 
1 1 1 -35 6  5  o 45.63368 5.156811 125.4664       22.63112 96.21223       31.16970 158.0820       32.91177 32.80782 9.288313 47.06331 7.387371 -14.25549      11.86786 
1 1 1 -35 6  6  o 17.30299 7.124412 20.63762       19.45246 -10.35913      26.98500 54.16925       28.06673 13.87285 6.684900 23.68370 8.910455 -9.810849      11.13930 
1 1 1 -35 6  7  o 11.35834 5.496116 -15.69777      18.71274 -32.80691      26.04092 2.569709       26.90801 11.91219 5.905877 15.15387 7.119431 -3.241682      9.250172 
1 1 1 -35 6  8  o 27.54330 7.283379 55.94427       19.93321 61.62757       27.85936 49.98309       28.53233 25.44019 8.980520 22.55593 8.852915 2.884256       12.61047 
1 1 1 -35 6  9  o 15.79577 6.816204 14.06106       19.20685 4.780995       26.64084 24.10546       27.71624 15.28797 7.150781 17.91627 7.945286 -2.628291      10.68931 
1 1 1 -35 6  10 o 21.91350 7.599820 38.83342       19.89712 35.79476       27.51748 42.16290       28.80415 19.79848 8.336936 20.80130 8.626993 -1.002817      11.99706 
1 1 1 -35 6  11 o 13.02784 6.174841 -5.764330      21.07627 -5.098512      25.93220 -7.060000      36.17503 14.06804 6.718861 15.32421 7.467009 -1.256166      10.04487 
1 1 1 -35 6  12 o 18.04760 7.920608 25.43182       26.87369 33.14000       47.11789 21.71541       32.71686 18.76253 8.986755 17.62540 8.133615 1.137129       12.12095 
1 1 1 -35 6  13 o 15.81266 7.184974 11.43716       24.24451 33.00243       27.88433 -55.37000      49.07885 19.25633 8.259894 14.42484 7.284104 4.831495       11.01290 
1 1 1 -35 6  14 o 15.40023 7.019685 9.495503       23.37227 -6.999769      26.56776 65.96000       49.15446 13.96624 6.704922 21.21815 9.853479 -7.251908      11.91835 
1 1 1 -35 6  15 o 16.87175 7.398754 19.09697       23.40775 8.786958       26.68391 53.52000       48.75784 15.64380 7.263142 20.11938 9.492724 -4.475583      11.95262 
1 1 1 -35 6  16 o 14.06139 6.438153 4.082684       19.94879 27.88836       27.14570 -23.86831      29.41436 18.33169 8.004964 13.09846 6.453597 5.233231       10.28243 
1 1 1 -35 6  17 o 24.91045 7.758142 50.34779       20.94022 52.08793       28.36543 48.26357       31.04332 22.67437 8.848189 21.34591 8.912716 1.328461       12.55894 
1 1 1 -35 6  18 o 14.39112 6.674971 3.549276       22.45276 2.540000       33.77102 4.348834       30.05827 15.69373 7.540793 15.48253 7.348727 0.2112026      10.52936 
1 1 1 -35 6  19 o 15.16314 6.907555 9.014633       22.58930 -0.7407000     34.44173 16.37889       29.92460 15.48358 7.483551 16.74608 7.745855 -1.262501      10.77041 
1 1 1 -35 6  20 o 27.04358 9.646000 79.27128       32.21464 0.000000       0.000000 79.27128       32.21464 ?        ?        27.04358 9.646000 ?              ?        
1 1 1 -35 6  21 o 17.59647 7.761329 24.68026       26.10358 15.57000       50.30315 28.03757       30.53694 17.25661 8.490080 18.01155 8.135792 -0.7549458     11.75894 
1 1 1 -35 6  22 o 13.03634 6.334671 -13.21787      25.54755 -26.97000      48.57495 -7.959237      30.03752 15.13924 7.591554 14.21715 6.899255 0.9220896      10.25824 
1 1 1 -35 6  23 o 12.85034 6.265684 -15.48577      25.58916 -34.65000      47.88127 -7.823811      30.27540 14.76844 7.423627 14.25769 6.920695 0.5107479      10.14920 
1 1 1 -35 6  24 o 13.77678 6.408195 2.200638       20.92138 0.4716470      29.24236 4.013685       29.94474 14.78828 7.082266 15.19596 7.247160 -0.4076777     10.13311 
1 1 1 -35 6  25 o 15.06578 6.813340 11.36948       21.49193 22.60993       29.85807 -0.7161374     30.96025 17.00438 7.819165 14.73344 7.114675 2.270940       10.57156 
1 1 1 -35 6  26 o 26.95590 8.609168 69.07613       25.63531 43.14259       31.57818 119.2000       43.90140 19.49134 8.569044 27.41617 10.91163 -7.924835      13.87416 
1 1 1 -35 6  27 o 18.38290 8.153105 35.30462       29.19295 42.95000       39.81944 26.42000       42.92545 18.45473 8.667203 17.06005 8.271511 1.394676       11.98075 
1 1 1 -35 6  28 f 19.98785 8.326670 44.54440       27.00465 46.91343       31.68154 38.25000       51.64145 19.48452 8.573946 17.39990 8.568694 2.084621       12.12168 
1 1 1 -35 6  29 o 22.77684 8.227244 52.85628       23.51728 94.16184       32.86073 9.488633       33.67098 27.50746 9.749358 15.22115 7.367009 12.28631       12.21977 
1 1 1 -35 6  30 o 17.44626 7.992091 34.26691       30.79399 47.24000       40.99061 17.46000       46.65589 17.95531 8.539404 15.92161 7.895682 2.033698       11.63027 
1 1 1 -35 7  1  o 20.83897 7.354009 33.63012       18.68059 24.20959       27.64737 41.54377       25.33987 18.05655 7.974892 21.48652 8.369185 -3.429964      11.56037 
1 1 1 -35 7  2  o 15.63088 6.724847 13.18004       18.58745 11.50523       27.27950 14.63142       25.39482 16.26535 7.477350 16.52407 7.445614 -0.2587204     10.55215 
1 1 1 -35 7  3  o 20.67425 7.549829 33.99714       19.87757 37.75538       28.21974 30.29621       28.00375 20.28085 8.485009 19.00707 8.216282 1.273783       11.81112 
1 1 1 -35 7  4  o 27.31141 7.432561 55.84729       20.39599 42.89988       28.67731 69.10069       29.01419 21.16900 8.676073 26.88895 9.182988 -5.719952      12.63335 
1 1 1 -35 7  5  o 20.05955 7.504339 31.82562       19.84793 24.27673       27.50036 40.03310       28.67488 18.04012 7.961251 20.62047 8.584464 -2.580349      11.70788 
1 1 1 -35 7  6  o 22.17727 7.679933 39.78316       20.31549 49.65219       28.89239 30.13236       28.57117 22.38412 8.870352 18.89076 8.231394 3.493364       12.10120 
1 1 1 -35 7  7  o 15.09148 6.669484 10.25094       19.36587 15.39949       27.22073 4.974280       27.55732 16.66939 7.589446 15.42896 7.234735 1.240437       10.48528 
1 1 1 -35 7  8  o 22.98911 7.675002 42.74232       20.26600 49.44417       28.38030 35.76916       28.94906 22.32661 8.809012 19.67888 8.428122 2.647728       12.19147 
1 1 1 -35 7  9  o 19.88825 7.528009 31.93994       20.10232 60.65537       28.06572 1.688214       28.80670 24.89023 8.988098 15.18313 7.202981 9.707103       11.51820 
1 1 1 -35 7  10 o 22.62785 8.136907 44.86485       22.97295 66.67801       28.43446 3.862000       38.98456 26.17972 9.084808 16.34839 7.916047 9.831331       12.04979 
1 1 1 -35 7  11 o 17.38591 8.125591 19.09980       34.28643 26.24000       46.50892 10.60000       50.74408 18.25883 8.792742 17.41126 8.558455 0.8475780      12.27027 
1 1 1 -35 7  12 o 14.01174 6.612533 -1.888244      23.68395 -10.47856      26.86781 28.05000       50.15809 13.72436 6.627495 18.41251 8.930536 -4.688151      11.12107 
1 1 1 -35 7  13 o 12.43556 6.038383 -15.81695      23.10228 -5.025798      26.16772 -53.95000      49.19069 14.08395 6.732693 14.44041 7.292018 -0.3564558     9.924852 
1 1 1 -35 7  14 o 13.89512 6.577554 -2.568474      23.77026 -12.23827      27.21193 28.57000       48.83142 13.57845 6.584013 18.30462 8.862380 -4.726162      11.04043 
1 1 1 -35 7  15 o 20.57535 7.668893 35.34980       20.68963 37.65286       28.12794 32.63486       30.53975 19.89915 8.406737 18.91040 8.365457 0.9887486      11.85977 
1 1 1 -35 7  16 o 15.07768 6.732051 10.16763       20.24626 -4.997130      27.78812 27.32671       29.55892 14.31425 6.868112 18.18319 8.125376 -3.868946      10.63920 
1 1 1 -35 7  17 o 14.11550 6.581593 1.690394       22.28036 2.749000       33.31409 0.8336998      29.96908 15.66172 7.516065 15.13140 7.225678 0.5303135      10.42601 
1 1 1 -35 7  18 o 18.05070 7.627378 25.89790       23.16210 31.75000       34.89396 21.28841       30.96857 18.58348 8.510977 17.36089 7.975817 1.222597       11.66406 
1 1 1 -35 7  19 o 10.27884 5.150352 -40.67234      22.15239 -40.53000      32.86888 -40.79081      29.98567 12.68710 6.344729 12.13127 6.065758 0.5558290      8.777757 
1 1 1 -35 7  20 o 25.14425 7.959254 53.52901       21.95171 12.80379       30.37807 98.03426       31.75660 16.23088 7.606030 31.68954 9.493947 -15.45866      12.16498 
1 1 1 -35 7  21 o 11.98408 5.917787 -25.70829      25.21231 -49.95000      48.09846 -16.52395      29.60557 14.22571 7.186826 13.49516 6.613852 0.7305450      9.766960 
1 1 1 -35 7  22 o 17.13974 7.658276 22.15436       26.25068 -12.97000      49.45391 35.93341       30.97462 15.76067 7.866576 18.98489 8.410293 -3.224219      11.51590 
1 1 1 -35 7  23 o 13.74692 6.609478 -6.122967      26.03760 6.010000       49.42315 -10.78420      30.63353 16.65330 8.234853 14.06063 6.855742 2.592664       10.71513 
1 1 1 -35 7  24 o 15.90503 7.083683 15.94659       22.27080 -13.74997      32.52956 42.14651       30.55449 13.99573 6.874122 19.73462 8.556444 -5.738883      10.97571 
1 1 1 -35 7  25 o 17.46572 7.413731 25.25570       22.04898 50.17050       31.01248 -0.2112973     31.35427 20.75525 8.800524 14.76517 7.137284 5.990080       11.33093 
1 1 1 -35 7  26 o 17.56956 7.677052 27.54029       25.00184 8.502609       30.98742 63.05000       42.32061 15.36148 7.338799 20.26551 9.315193 -4.904031      11.85879 
1 1 1 -35 7  27 o 13.68670 6.550249 -1.008893      24.92140 11.24909       30.61408 -25.09000      42.90915 15.43725 7.352568 14.17632 7.112413 1.260927       10.22970 
1 1 1 -35 7  28 o 14.99458 7.167641 9.012677       29.64976 9.997000       39.46434 7.737000       44.92692 15.57997 7.635694 15.65584 7.761109 -0.7587147E-01 10.88754 
1 1 1 -35 7  29 o 15.89733 7.307302 19.15092       26.04221 15.22141       31.41140 27.79000       46.57489 15.61449 7.439990 16.69203 8.203809 -1.077542      11.07501 
1 1 1 -35 8  1  o 18.88725 7.226868 27.16734       18.65166 15.71171       27.53479 36.88079       25.35473 16.74162 7.626503 20.33770 8.223799 -3.596075      11.21581 
1 1 1 -35 8  2  o 17.90191 7.226286 23.57253       19.53902 32.50659       27.87637 14.94458       27.39462 19.26713 8.261512 16.62996 7.587724 2.637171       11.21723 
1 1 1 -35 8  3  o 21.60349 7.581385 37.55625       19.83362 12.06790       27.97318 63.32275       28.12540 16.30106 7.521903 25.64361 9.025789 -9.342554      11.74921 
1 1 1 -35 8  4  o 15.99503 6.880022 14.99927       19.44713 11.51650       27.19922 18.64176       27.81594 16.14869 7.439186 17.12380 7.746936 -0.9751110     10.74041 
1 1 1 -35 8  5  o 16.01846 6.893558 15.13730       19.54242 22.39997       27.40389 7.621971       27.87648 17.62634 7.853551 15.73616 7.345408 1.890185       10.75329 
1 1 1 -35 8  6  o 22.03505 7.632485 39.44912       20.06575 51.77892       27.77464 25.98805       29.02088 22.95042 8.809505 18.13600 8.081201 4.814426       11.95463 
1 1 1 -35 8  7  o 23.48763 7.695518 44.69286       20.40336 44.25359       28.24846 45.17197       29.50175 21.24212 8.646988 21.19854 8.755589 0.4358482E-01  12.30572 
1 1 1 -35 8  8  o 28.74337 8.190566 67.94107       24.15879 61.69808       30.74936 78.01000       39.05095 24.12799 9.267284 24.56199 10.10182 -0.4339924     13.70873 
1 1 1 -35 8  9  o 24.18602 8.448404 52.84812       24.61152 49.31496       31.20833 58.66000       40.02652 21.61696 8.973812 21.58886 9.562359 0.2809906E-01  13.11366 
1 1 1 -35 8  10 o 18.07437 7.821736 25.60344       25.43484 28.36318       29.32829 17.23000       51.08629 18.43968 8.175469 17.77304 8.705743 0.6666393      11.94271 
1 1 1 -35 8  11 o 23.62559 8.508206 51.40610       25.12811 42.93246       28.60672 80.03000       52.57718 20.90727 8.627191 22.10469 10.23942 -1.197420      13.38933 
1 1 1 -35 8  12 o 13.55056 6.467262 -6.159163      23.93946 -14.45658      27.16168 22.72000       50.67312 13.39613 6.514581 17.99720 8.784417 -4.601065      10.93644 
1 1 1 -35 8  13 o 19.32048 8.015214 32.74387       24.87402 38.32611       28.35962 14.13000       51.78626 19.98261 8.441606 17.49855 8.610138 2.484055       12.05799 
1 1 1 -35 8  14 o 34.89984 6.740556 84.47669       22.19270 57.90948       29.74456 117.8372       33.33121 23.47832 9.088941 36.14467 9.350815 -12.66635      13.04019 
1 1 1 -35 8  15 o 22.35794 7.858733 42.45411       21.31715 40.33207       29.33289 44.82925       31.03290 20.20147 8.562010 20.73091 8.797361 -0.5294456     12.27606 
1 1 1 -35 8  16 o 44.09152 6.429321 131.0033       26.93136 114.6000       42.24620 142.2331       34.95481 29.31269 10.95191 40.92924 8.972960 -11.61655      14.15833 
1 1 1 -35 8  17 o 15.49366 7.044114 10.78330       23.34518 -36.02000      34.87044 48.80055       31.42748 13.26842 6.619973 21.26361 8.929049 -7.995188      11.11539 
1 1 1 -35 8  18 o 13.51221 6.397177 -3.383041      22.49913 -34.43000      33.33836 22.58425       30.48934 13.09242 6.522721 17.47208 7.984487 -4.379665      10.31009 
1 1 1 -35 8  19 o 13.51812 6.330560 -0.5045264     20.98483 -10.87280      28.56366 11.65411       30.93164 13.81520 6.709685 16.16998 7.608174 -2.354780      10.14417 
1 1 1 -35 8  20 o 18.29883 7.536101 27.70678       21.77186 -16.21970      30.39666 73.98324       31.19914 13.64275 6.689368 25.96594 9.462232 -12.32319      11.58799 
1 1 1 -35 8  21 o 12.93322 6.303246 -14.82286      25.81471 -30.45000      48.76763 -8.739553      30.42719 14.98379 7.526470 14.18477 6.897408 0.7990246      10.20892 
1 1 1 -35 8  22 o 16.28198 7.429740 16.08842       26.27468 -23.99000      49.29781 31.99064       31.05282 15.28549 7.662465 18.43558 8.276280 -3.150086      11.27875 
1 1 1 -35 8  23 o 12.69616 6.204883 -16.46870      25.51698 -4.154000      48.82493 -21.09618      29.92968 16.03034 7.971164 13.15860 6.488318 2.871737       10.27802 
1 1 1 -35 8  24 o 13.04122 6.212988 -4.284062      21.88888 -1.151898      31.20280 -7.318882      30.71409 14.69765 7.108378 14.15245 6.892544 0.5452061      9.901323 
1 1 1 -35 8  25 o 14.87847 6.776211 10.66617       21.72152 -5.957081      30.38848 28.03254       31.06028 14.13631 6.878197 17.48795 8.016927 -3.351637      10.56318 
1 1 1 -35 8  26 o 23.03588 8.659450 56.96154       26.49561 20.97201       31.86428 137.6000       47.69658 16.51665 7.755806 27.68152 11.24796 -11.16487      13.66269 
1 1 1 -35 8  27 o 16.09485 7.409826 19.56854       26.92649 16.00875       33.03902 26.61000       46.46713 15.87814 7.583495 16.80336 8.245558 -0.9252243     11.20262 
1 1 1 -35 8  28 o 14.79553 6.976188 10.17132       26.25346 -18.01627      31.73678 71.27000       46.72506 13.12131 6.507869 19.54306 9.242436 -6.421748      11.30376 
1 1 1 -35 8  29 o 14.30236 6.936194 2.671507       30.23413 -31.96000      39.85461 49.62000       46.40381 13.27675 6.686736 17.77678 8.614540 -4.500025      10.90517 
1 1 1 -35 9  1  o 24.06797 7.619419 46.17081       20.11668 57.69714       28.65346 34.96724       28.24942 23.97144 9.006437 19.54612 8.347308 4.425322       12.27980 
1 1 1 -35 9  2  o 20.24282 7.552115 33.28297       20.07368 24.81703       29.23043 40.83920       27.61532 17.94320 8.044494 20.68098 8.499130 -2.737782      11.70253 
1 1 1 -35 9  3  o 26.48225 7.522698 54.07868       20.41127 21.64659       28.85821 86.54535       28.87359 17.49787 7.905888 31.20847 8.973839 -13.71060      11.95963 
1 1 1 -35 9  4  o 24.40395 7.617134 47.36085       20.17406 55.62372       28.40588 38.95144       28.65664 23.55766 8.941413 20.17527 8.502356 3.382391       12.33851 
1 1 1 -35 9  5  o 16.93382 7.114391 19.72371       19.96683 32.64152       28.24784 6.825069       28.22688 19.12545 8.259685 15.62646 7.325667 3.498988       11.04028 
1 1 1 -35 9  6  o 16.22886 6.987541 16.27487       20.09785 8.762753       28.32003 23.89687       28.52641 15.84822 7.399662 17.77867 7.960667 -1.930447      10.86863 
1 1 1 -35 9  7  o 14.72148 6.764617 5.677976       22.29269 15.32037       28.20245 -10.38000      36.39484 16.62638 7.628367 15.09598 7.384671 1.530403       10.61722 
1 1 1 -35 9  8  o 23.53519 8.780822 53.80763       27.13752 47.26000       47.31802 57.01682       33.12700 19.79583 9.343544 22.57385 9.296202 -2.778021      13.18033 
1 1 1 -35 9  9  o 24.61534 8.657818 56.36806       25.87562 53.13424       29.37111 67.58000       54.68945 22.73990 8.964746 20.88061 9.911360 1.859291       13.36419 
1 1 1 -35 9  10 o 30.13049 8.633213 78.31808       26.76859 74.58939       30.92500 89.46000       53.45796 26.85349 9.463276 22.70468 10.44842 4.148815       14.09692 
1 1 1 -35 9  11 o 38.74560 7.600610 111.7611       27.79530 92.74249       32.02041 169.9000       55.98499 30.62672 9.601891 31.18040 12.35036 -0.5536728     15.64377 
1 1 1 -35 9  12 o 28.17527 8.678064 70.82051       26.28422 56.98885       30.07085 115.6000       54.10634 23.17136 9.090257 24.97536 11.08705 -1.803997      14.33721 
1 1 1 -35 9  13 o 17.19077 7.249726 21.29924       20.85844 23.76159       28.19673 18.32323       30.99850 17.65463 7.909122 17.03524 7.881014 0.6193924      11.16533 
1 1 1 -35 9  14 o 19.93015 7.676690 33.34624       21.14172 18.12216       28.88701 50.90744       31.02517 16.91796 7.746553 21.75799 8.981965 -4.840033      11.86106 
1 1 1 -35 9  15 o 20.02991 8.023480 35.86131       23.89105 36.08000       36.11017 35.69106       31.86138 19.01569 8.689689 19.18729 8.513308 -0.1716080     12.16499 
1 1 1 -35 9  16 o 13.46095 6.376922 -3.719795      22.42416 5.579000       32.68223 -11.99144      30.82437 15.81307 7.549674 14.13778 6.889746 1.675287       10.22087 
1 1 1 -35 9  17 o 20.89946 8.098722 39.62823       23.63418 43.41000       35.30911 36.55858       31.81142 19.91022 8.889999 19.27039 8.530634 0.6398335      12.32087 
1 1 1 -35 9  18 o 16.66753 7.179086 19.20989       21.22998 25.45601       29.20599 12.21173       30.91424 17.74356 7.990857 16.22948 7.626737 1.514078       11.04631 
1 1 1 -35 9  19 o 12.33208 5.925420 -9.974711      20.84984 -39.22255      28.68871 22.76704       30.35394 11.87093 5.935215 17.29132 7.926216 -5.420398      9.902104 
1 1 1 -35 9  20 o 16.81273 7.265158 20.50616       21.88022 32.91388       30.65920 7.627638       31.23545 18.56920 8.288093 15.67908 7.456132 2.890123       11.14838 
1 1 1 -35 9  21 o 18.02773 7.888848 28.02212       26.48557 -50.88000      49.80415 59.13494       31.27454 14.32239 7.244690 22.74738 9.156431 -8.424995      11.67586 
1 1 1 -35 9  22 o 12.56004 6.154666 -18.62232      25.60895 16.00000       48.67690 -31.87258      30.11321 17.08397 8.394536 12.53285 6.236646 4.551129       10.45772 
1 1 1 -35 9  23 o 14.38865 6.836804 1.779308       26.15354 39.20000       50.17472 -12.18093      30.64612 18.17363 8.841602 13.79593 6.754540 4.377700       11.12644 
1 1 1 -35 9  24 o 12.64004 6.096111 -8.968769      22.55707 4.161161       32.21054 -21.60510      31.59928 15.16237 7.305585 13.23592 6.552138 1.926451       9.813363 
1 1 1 -35 9  25 o 22.20354 8.123011 47.77699       23.02595 26.01838       31.75623 71.89819       33.43588 17.10241 7.934533 23.50170 9.464915 -6.399292      12.35077 
1 1 1 -35 9  26 o 14.39072 6.702748 7.643136       23.00995 19.07261       31.47489 -5.477587      33.72330 16.18454 7.633369 14.31810 7.025697 1.866446       10.37443 
1 1 1 -35 9  27 o 12.16561 5.995324 -18.10197      25.43313 -8.144980      30.74389 -39.69000      45.26903 13.67255 6.708778 13.63239 6.896963 0.4016399E-01  9.621632 
1 1 1 -35 9  28 o 27.23347 8.892962 77.90109       27.25749 52.91640       32.57046 136.3000       49.79540 19.89608 8.726191 25.27897 10.94186 -5.382889      13.99538 
1 1 1 -35 10 1  o 12.84892 5.988594 -2.165008      18.41637 12.50760       26.03606 -16.85708      26.05332 16.10227 7.366019 13.00541 6.337072 3.096859       9.716826 
1 1 1 -35 10 2  o 18.27516 7.221056 25.38260       19.09583 39.97401       26.78301 10.29588       27.23380 20.60960 8.408357 15.92756 7.375010 4.682039       11.18442 
1 1 1 -35 10 3  o 24.53843 7.595260 47.72374       20.10488 54.49526       28.66720 41.16945       28.20365 23.21272 8.939656 20.62292 8.543325 2.589802       12.36551 
1 1 1 -35 10 4  o 17.56779 7.234210 22.62946       20.05945 55.35359       29.08567 -7.054325      27.70159 23.27298 8.993577 14.15801 6.809767 9.114974       11.28084 
1 1 1 -35 10 5  o 17.14938 7.341336 20.62578       21.94572 18.54552       28.20051 23.82000       34.94469 17.03733 7.744415 17.85765 8.298071 -0.8203201     11.35050 
1 1 1 -35 10 6  o 26.67492 8.324658 60.97389       24.09689 77.16422       31.05093 36.46000       38.20788 27.46649 9.495531 19.15749 8.822284 8.309002       12.96140 
1 1 1 -35 10 7  o 12.34849 6.049896 -21.18092      24.71005 -12.60435      28.18285 -49.69000      51.38305 13.74384 6.672661 14.80687 7.474126 -1.063028      10.01933 
1 1 1 -35 10 8  o 16.06225 7.291304 13.30657       24.89290 -3.428303      28.13318 73.66000       53.42673 14.52452 6.953458 21.32910 10.02416 -6.804579      12.19977 
1 1 1 -35 10 9  o 17.81693 7.767608 24.70510       25.47104 20.86523       29.02184 37.58000       53.14205 17.29140 7.858524 18.81249 9.140253 -1.521093      12.05407 
1 1 1 -35 10 10 o 22.71403 8.591085 49.78245       26.16913 32.37074       29.70706 110.1000       55.29181 18.86614 8.302129 24.08990 10.90802 -5.223764      13.70803 
1 1 1 -35 10 11 o 18.25101 7.495259 26.42404       21.45768 23.34108       29.58673 29.84497       31.16632 17.59793 7.972765 18.44876 8.286052 -0.8508282     11.49885 
1 1 1 -35 10 12 o 39.77338 6.168867 104.4601       23.23879 57.08220       31.89784 158.0512       33.92497 22.65786 9.201432 45.51843 7.900624 -22.86057      12.12791 
1 1 1 -35 10 13 o 18.28574 7.504004 26.64976       21.48753 22.96635       29.85520 30.60834       30.95030 17.53839 7.970686 18.54143 8.297847 -1.003042      11.50592 
1 1 1 -35 10 14 o 18.82376 7.835265 30.22629       23.88280 14.37000       35.72649 43.03695       32.11258 16.80126 7.985317 20.20307 8.765656 -3.401808      11.85757 
1 1 1 -35 10 15 o 14.78729 6.831328 6.037410       23.16984 2.592000       34.56270 8.849527       31.22511 15.71301 7.570074 15.97876 7.556402 -0.2657490     10.69604 
1 1 1 -35 10 16 o 20.84114 8.108880 39.60896       23.76744 13.26000       35.63121 60.73067       31.90168 16.66630 7.936330 23.21916 9.281507 -6.552855      12.21195 
1 1 1 -35 10 17 o 20.07929 7.782229 35.13261       21.82587 -0.2982214     29.78428 76.22517       32.07584 14.88804 7.134717 26.21450 9.587809 -11.32645      11.95116 
1 1 1 -35 10 18 o 12.75530 6.066384 -5.751321      20.68770 -14.48249      28.13163 4.531271       30.52882 13.38484 6.535748 15.33610 7.314967 -1.951257      9.809421 
1 1 1 -35 10 19 o 20.14743 7.858508 36.45381       22.36662 38.10049       31.05607 34.67924       32.23948 19.25535 8.480402 18.69762 8.410190 0.5577221      11.94355 
1 1 1 -35 10 20 o 18.63085 7.665831 29.91912       22.50089 42.82286       31.68538 16.79194       31.95852 19.86323 8.661551 16.60052 7.786318 3.262709       11.64686 
1 1 1 -35 10 21 o 22.12189 8.639904 50.40918       27.06429 49.97000       51.40332 50.57762       31.83398 19.09430 9.207313 21.03157 8.916948 -1.937275      12.81743 
1 1 1 -35 10 22 o 14.80719 6.992873 5.122674       26.57314 1.257000       51.67215 6.512615       30.98433 16.26390 8.105618 15.37239 7.342481 0.8915129      10.93678 
1 1 1 -35 10 23 o 16.52183 7.559757 19.94351       27.44541 -36.57000      50.60289 43.49601       32.66763 14.61128 7.380418 19.41121 8.616081 -4.799927      11.34493 
1 1 1 -35 10 24 o 11.78591 5.783959 -18.63285      22.87996 -31.72882      32.47856 -5.730887      32.23709 12.71560 6.351070 14.29715 6.984505 -1.581542      9.440308 
1 1 1 -35 10 25 o 10.94118 5.429971 -26.85402      22.22713 -33.11042      30.34089 -19.60722      32.65425 12.20565 6.102744 13.32244 6.606518 -1.116794      8.993863 
1 1 1 -35 10 26 o 11.94636 5.834232 -13.80546      22.44136 -49.71417      31.08619 25.27539       32.43020 11.44434 5.781207 16.66090 7.823806 -5.216558      9.728016 
1 1 1 -35 10 27 o 17.42150 7.740407 30.61189       26.42902 -2.781069      31.59657 108.4000       48.22464 14.08862 6.889509 22.57662 10.20842 -8.487997      12.31573 
1 1 1 -35 10 28 f 14.41129 6.984881 4.510502       30.54249 16.16000       40.87881 -10.21000      45.95216 15.67580 7.700641 14.57863 7.320627 1.097173       10.62504 
1 1 1 -35 11 1  o 19.67779 7.512493 31.48708       20.12561 -3.261083      28.27274 67.18108       28.65494 14.56533 6.972372 26.08012 9.115607 -11.51479      11.47642 
1 1 1 -35 11 2  o 34.11061 6.574023 79.49371       21.15376 42.95169       28.82397 122.1501       31.14223 20.78583 8.626091 39.04108 8.398707 -18.25525      12.03942 
1 1 1 -35 11 3  o 43.25627 5.465700 116.6457       22.62629 91.23978       31.53819 143.5905       32.47937 30.57928 9.520657 43.36377 7.944673 -12.78450      12.40003 
1 1 1 -35 11 4  o 15.92945 7.052454 14.23015       21.74799 2.790842       27.59040 33.00000       35.34180 15.06026 7.116327 18.77995 8.587562 -3.719691      11.15295 
1 1 1 -35 11 5  f 18.69478 8.510006 32.16319       34.20460 6.447000       47.35704 60.21000       49.45645 16.90439 8.301000 20.55672 9.655921 -3.652327      12.73355 
1 1 1 -35 11 6  o 15.11092 7.022891 6.264931       25.04595 24.27111       29.03025 -46.16000      49.53463 17.73138 7.977673 14.68769 7.404600 3.043694       10.88446 
1 1 1 -35 11 7  o 11.91171 5.862237 -24.23933      24.04301 -36.55527      27.40202 16.96000       50.11801 11.84698 5.904050 17.55073 8.602236 -5.703743      10.43342 
1 1 1 -35 11 8  o 13.88407 6.599745 -3.392895      24.42083 -12.24463      27.63672 28.14000       52.16201 13.61664 6.610157 18.20375 8.891155 -4.587116      11.07912 
1 1 1 -35 11 9  o 24.47680 8.755989 57.75319       26.56375 58.65775       30.39710 54.83000       54.64419 23.35433 9.146138 19.75942 9.519258 3.594902       13.20107 
1 1 1 -35 11 10 o 20.47559 7.828587 36.20558       21.87579 37.69726       30.23489 34.56680       31.69050 19.60871 8.506662 19.04242 8.467360 0.5662918      12.00248 
1 1 1 -35 11 11 o 19.13417 7.597696 30.30602       21.23679 37.16325       29.19827 22.60409       30.94444 19.61709 8.434024 17.49963 8.014687 2.117456       11.63477 
1 1 1 -35 11 12 o 14.92163 6.739873 9.027839       20.95515 -10.57350      29.26067 29.66546       30.02419 13.99828 6.796854 18.39197 8.205881 -4.393698      10.65522 
1 1 1 -35 11 13 o 18.42293 7.797165 28.45065       24.26890 47.36000       36.83723 13.94911       32.25936 20.23838 9.055312 16.54623 7.780380 3.692148       11.93872 
1 1 1 -35 11 14 o 14.90269 6.885683 6.639778       23.55304 -17.38000      35.72051 25.11551       31.32810 14.41370 7.103574 17.75107 8.104966 -3.337369      10.77735 
1 1 1 -35 11 15 o 17.59411 7.417339 23.84560       21.82234 11.47712       30.15213 37.45047       31.62330 16.11519 7.560077 19.33977 8.535899 -3.224575      11.40247 
1 1 1 -35 11 16 o 14.06069 6.498912 3.770548       21.00812 6.058126       28.58694 1.084520       30.97667 15.33427 7.245171 15.11247 7.251199 0.2217979      10.25048 
1 1 1 -35 11 17 o 11.98269 5.785567 -12.23268      20.45618 -18.05615      28.03510 -5.601961      29.91515 13.08284 6.416765 14.35459 6.946729 -1.271749      9.456845 
1 1 1 -35 11 18 o 12.28078 5.932961 -11.87750      21.58907 -0.9275632     30.40573 -23.01058      30.65895 14.79096 7.119359 13.17635 6.510096 1.614602       9.647104 
1 1 1 -35 11 19 o 18.42449 7.600508 28.90223       22.19461 20.92991       31.27301 36.99280       31.50411 17.00324 7.883481 19.01153 8.448678 -2.008291      11.55549 
1 1 1 -35 11 20 o 17.71325 7.842031 26.49611       26.88893 -20.79000      50.47191 45.23573       31.77338 15.42815 7.736702 20.16806 8.734967 -4.739912      11.66860 
1 1 1 -35 11 21 o 25.10244 9.051618 66.94778       28.45125 68.98000       53.31991 66.13883       33.64066 19.94274 9.554148 22.93775 9.398504 -2.995005      13.40200 
1 1 1 -35 11 22 o 18.34062 8.026486 32.65097       27.42327 13.99000       51.10791 40.19605       32.49773 16.67649 8.268950 18.97462 8.496415 -2.298134      11.85599 
1 1 1 -35 11 23 o 12.48040 6.155470 -20.52776      26.99623 1.488000       49.66548 -29.76036      32.16251 15.92094 7.936603 12.77796 6.372509 3.142980       10.17834 
1 1 1 -35 11 24 o 15.22417 6.992478 13.16501       23.78313 -7.627489      33.91085 33.29311       33.36466 14.23384 6.996555 17.71910 8.189939 -3.485256      10.77158 
1 1 1 -35 11 25 o 11.95034 5.840153 -14.26876      22.59867 -7.341136      31.08066 -22.03918      32.91703 13.82069 6.774054 13.12013 6.527519 0.7005510      9.407248 
1 1 1 -35 11 26 o 13.74761 6.489900 4.236612       22.84619 -16.31291      30.92243 28.93628       33.90145 13.07659 6.474751 16.80559 7.925022 -3.729001      10.23369 
1 1 1 -35 11 27 o 19.12742 8.130912 41.80481       26.58744 52.72747       32.19044 18.36000       47.16133 19.72850 8.663220 15.99084 7.931462 3.737658       11.74562 
1 1 1 -35 12 1  o 17.29357 7.561668 21.84423       24.29247 23.64641       28.79975 17.40000       45.22596 17.61477 7.933776 17.43324 8.461295 0.1815338      11.59907 
1 1 1 -35 12 2  o 19.55501 7.761744 32.59066       22.15547 47.35905       28.06151 8.148000       36.10096 21.66487 8.689733 16.31993 7.829890 5.344934       11.69695 
1 1 1 -35 12 3  o 18.80660 8.296858 32.23365       29.84521 32.23365       29.84521 0.000000       0.000000 18.80660 8.296858 ?        ?        ?              ?        
1 1 1 -35 12 4  o 17.34470 7.623180 22.17001       24.97563 1.606247       29.29797 76.85000       47.77497 15.09987 7.192133 22.16669 10.07756 -7.066822      12.38079 
1 1 1 -35 12 5  o 22.79411 8.449225 48.89011       25.04915 44.68394       29.32560 60.24000       48.17256 20.89149 8.687998 20.56154 9.616860 0.3299465      12.96014 
1 1 1 -35 12 6  o 13.95581 6.581080 -0.9912193     23.37709 -15.00208      26.73647 44.49000       48.17122 13.21164 6.433547 19.29242 9.198312 -6.080774      11.22495 
1 1 1 -35 12 7  o 20.67631 8.302994 40.33529       25.65104 47.77486       29.70113 18.50000       50.88364 21.37676 8.802727 17.61479 8.640624 3.761978       12.33484 
1 1 1 -35 12 8  o 30.24414 7.732736 71.29120       22.97798 56.48661       31.61759 87.86296       33.45145 22.55867 9.161006 28.40540 9.853919 -5.846729      13.45451 
1 1 1 -35 12 9  o 18.50108 7.539492 27.78815       21.50410 24.72808       29.58828 31.21412       31.30726 17.72713 8.007765 18.56644 8.324528 -0.8393154     11.55085 
1 1 1 -35 12 10 o 17.55940 7.400353 23.52099       21.71142 -13.20595      30.38807 61.81893       31.03119 13.95352 6.808936 23.69659 9.252452 -9.743063      11.48780 
1 1 1 -35 12 11 o 11.43146 5.648388 -27.08639      23.09414 13.01000       37.25784 -52.10369      29.42966 16.71573 8.002355 11.41739 5.749736 5.298339       9.853788 
1 1 1 -35 12 12 f 17.16669 7.526830 21.53050       24.21606 -1.538000      37.19092 38.50925       31.90658 15.60335 7.595879 19.48604 8.588332 -3.882687      11.46546 
1 1 1 -35 12 13 o 14.91413 6.895788 6.775468       23.68269 -8.039000      36.63307 17.41285       31.04186 15.09107 7.387861 16.80857 7.814116 -1.717491      10.75365 
1 1 1 -35 12 14 o 13.88384 6.462354 1.898727       21.33285 6.406688       29.91957 -2.762886      30.42519 15.53355 7.360899 14.74381 7.102984 0.7897406      10.22914 
1 1 1 -35 12 15 o 13.86309 6.450826 2.299626       21.23263 2.949009       29.40872 1.592564       30.68701 15.06469 7.183848 15.07819 7.230126 -0.1349449E-01 10.19227 
1 1 1 -35 12 16 f 15.02071 6.849834 9.711135       22.28752 5.616586       32.28095 13.44083       30.80916 15.54665 7.444300 16.18526 7.608403 -0.6386089     10.64450 
1 1 1 -35 12 17 o 15.34200 6.930878 12.05105       22.17028 -10.92536      31.42284 34.82581       31.28464 14.10378 6.891266 18.70942 8.359955 -4.605638      10.83413 
1 1 1 -35 12 18 o 13.14268 6.235569 -3.710199      21.59836 9.510223       30.65255 -16.74617      30.43796 15.75204 7.460335 13.54253 6.651111 2.209506       9.994693 
1 1 1 -35 12 19 o 13.19612 6.265473 -3.620564      21.88378 -2.744087      31.28479 -4.460323      30.62251 14.69640 7.110175 14.47788 7.011653 0.2185259      9.985884 
1 1 1 -35 12 20 f 12.66624 6.219671 -18.37811      26.58087 -3.951000      50.56809 -23.88629      31.24573 15.94812 7.959291 13.09503 6.488248 2.853090       10.26877 
1 1 1 -35 12 21 o 12.47099 6.156395 -21.92300      27.21574 -60.87000      50.29960 -5.801023      32.36209 13.78479 7.005232 14.38268 7.020154 -0.5978842     9.917451 
1 1 1 -35 12 22 o 16.36115 7.511148 19.72671       27.39791 -22.71000      50.51664 37.41127       32.61074 14.97367 7.539682 18.43047 8.358043 -3.456796      11.25627 
1 1 1 -35 12 23 o 15.03411 7.117820 9.090943       27.85596 -25.54000      51.66735 23.28221       33.07460 14.81157 7.478708 16.67068 7.851054 -1.859112      10.84298 
1 1 1 -35 12 24 o 18.20872 7.697240 32.43893       23.60389 -7.797210      32.83045 75.49162       33.96009 13.98153 6.874846 23.33959 9.488329 -9.358061      11.71716 
1 1 1 -35 12 25 o 13.21432 6.305610 -0.3908730     22.73542 9.795732       31.31042 -11.75246      33.06691 15.02480 7.230023 13.61619 6.733538 1.408607       9.879968 
1 1 1 -35 12 26 o 17.24276 7.699706 29.70214       26.49361 6.243478       32.05714 80.25000       47.05703 14.78124 7.162244 20.11573 9.439275 -5.334491      11.84895 
1 1 1 -35 13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -35 13 2  o 15.96428 7.592818 7.594370       32.41378 -0.2604000     46.52985 15.00000       45.17997 16.40775 8.090339 17.23805 8.387239 -0.8302994     11.65330 
1 1 1 -35 13 3  o 17.64270 8.178786 23.72878       33.64150 3.318000       48.10263 43.27000       47.06681 16.67974 8.224734 19.21495 9.141886 -2.535215      12.29717 
1 1 1 -35 13 4  o 20.93561 8.226377 40.73719       24.66094 43.90828       28.85732 32.15000       47.48728 20.79219 8.630110 18.39442 8.864765 2.397770       12.37186 
1 1 1 -35 13 5  o 22.45461 8.435657 47.82371       25.13531 26.11511       29.18929 110.1000       49.43892 17.90024 8.030968 25.44550 10.95764 -7.545258      13.58552 
1 1 1 -35 13 6  o 29.72018 7.608975 68.28650       22.22772 54.72282       30.32211 84.04126       32.67959 22.48375 9.027876 27.83906 9.734432 -5.355318      13.27636 
1 1 1 -35 13 7  o 17.56023 7.331489 23.51509       21.00308 13.58648       28.84304 34.72260       30.64442 16.26746 7.552209 19.03353 8.401654 -2.766064      11.29706 
1 1 1 -35 13 8  o 13.33742 6.263771 -1.724494      20.79590 -37.48038      28.38337 39.71590       30.55640 11.96097 5.968416 19.78134 8.566766 -7.820366      10.44086 
1 1 1 -35 13 9  f 17.57537 7.450399 23.82087       22.21778 1.204229       31.54801 46.07605       31.29489 15.25086 7.317642 20.69158 8.809516 -5.440724      11.45231 
1 1 1 -35 13 10 o 26.25801 8.555002 62.81996       25.23227 85.65000       40.65178 48.51231       32.18180 24.71084 10.24862 20.93490 8.923954 3.775940       13.58938 
1 1 1 -35 13 11 o 17.45197 7.661616 23.45827       25.16292 5.592000       39.39075 35.77503       32.70585 16.23120 7.882224 18.99901 8.514229 -2.767809      11.60265 
1 1 1 -35 13 12 o 14.35620 6.743421 2.095010       24.12127 14.75000       37.35846 -6.952613      31.58823 16.77840 8.027184 14.53958 7.060224 2.238817       10.69030 
1 1 1 -35 13 13 o 11.30301 5.548808 -21.42691      21.11213 -29.46547      29.91550 -13.45086      29.79897 12.66411 6.287512 13.72754 6.708166 -1.063431      9.194144 
1 1 1 -35 13 14 f 16.25122 7.167318 17.55525       22.25600 12.82167       31.43219 22.31453       31.51745 16.14848 7.619963 17.16255 7.942298 -1.014072      11.00654 
1 1 1 -35 13 15 o 17.69013 7.520200 25.59760       22.74487 15.71016       32.86337 34.68827       31.51142 16.48395 7.782281 18.66134 8.360533 -2.177391      11.42201 
1 1 1 -35 13 16 o 14.23768 6.627510 4.186595       22.44331 -6.048923      32.34613 13.68887       31.16601 14.55402 7.084790 16.17115 7.617455 -1.617124      10.40288 
1 1 1 -35 13 17 o 15.78603 7.087029 14.73133       22.77168 -2.558250      32.54668 31.31148       31.87196 14.85267 7.201548 18.18640 8.253485 -3.333726      10.95364 
1 1 1 -35 13 18 o 28.45734 8.194281 69.63461       24.05898 55.19445       35.20865 82.28336       32.95239 20.97261 9.138101 26.57175 9.718018 -5.599142      13.33959 
1 1 1 -35 13 19 o 13.62273 6.597244 -7.224200      27.10294 -85.02000      50.72121 23.86622       32.06453 13.19750 6.736583 17.07100 7.938046 -3.873500      10.41125 
1 1 1 -35 13 20 o 12.43584 6.137759 -21.58063      27.00226 -32.84000      50.42710 -17.05445      31.97223 14.66788 7.404003 13.53760 6.681018 1.130275       9.972726 
1 1 1 -35 13 21 o 13.93338 6.720274 -2.697516      27.42268 7.326000       50.90957 -6.794588      32.54814 16.16587 8.054972 14.22301 6.963084 1.942860       10.64740 
1 1 1 -35 13 22 o 13.72246 6.657523 -4.826007      27.92352 -76.88000      51.37053 25.39230       33.26749 13.24212 6.761081 16.84564 7.914845 -3.603523      10.40947 
1 1 1 -35 13 23 o 14.76398 7.013851 8.212109       27.50040 23.06000       51.48590 2.285007       32.52948 16.52857 8.213310 14.64948 7.125273 1.879085       10.87327 
1 1 1 -35 13 24 o 11.41508 5.630074 -19.72559      22.58547 -14.19206      31.52887 -25.55797      32.36906 13.27807 6.567916 12.72815 6.354719 0.5499182      9.138927 
1 1 1 -35 13 25 o 13.00053 6.228458 -2.190544      22.66389 -11.60849      31.43806 8.000216       32.70250 13.42714 6.626215 14.93903 7.237580 -1.511894      9.812711 
1 1 1 -35 14 1  o 39.28782 9.531404 141.3219       36.27520 92.67000       51.89723 187.8000       50.72462 22.81228 10.42191 37.21463 12.13008 -14.40235      15.99234 
1 1 1 -35 14 2  o 22.82935 9.379412 61.60361       33.61985 28.50000       49.08384 90.86000       46.14356 18.06621 8.779193 23.85842 10.42715 -5.792212      13.63084 
1 1 1 -35 14 3  o 16.48405 7.847577 12.25667       34.79425 39.41000       54.39537 -6.547000      45.26596 18.66946 9.110100 15.91532 7.871928 2.754140       12.03998 
1 1 1 -35 14 4  o 14.27652 6.991332 -13.27820      32.88557 -6.904000      46.54819 -19.63000      46.46634 15.98088 7.918311 15.36425 7.661886 0.6166286      11.01835 
1 1 1 -35 14 5  o 13.39886 6.451223 -8.607150      25.01023 -66.39000      46.41851 15.02915       29.68803 13.54379 6.866664 16.45612 7.647392 -2.912324      10.27782 
1 1 1 -35 14 6  o 14.89765 6.960938 5.271482       25.13659 8.982000       47.49348 3.827643       29.62622 16.86364 8.287388 15.26860 7.261100 1.595046       11.01836 
1 1 1 -35 14 7  o 18.03584 7.440094 25.98518       21.26730 11.81920       29.96637 40.36135       30.18787 16.10703 7.550017 19.87305 8.560260 -3.766020      11.41406 
1 1 1 -35 14 8  o 14.71321 6.812937 5.908966       23.24360 -2.827000      36.39130 11.92856       30.20826 15.38613 7.495426 16.12448 7.565283 -0.7383471     10.64964 
1 1 1 -35 14 9  o 14.35467 6.700951 3.279388       23.20513 -16.01000      36.00573 16.98362       30.34867 14.45910 7.127082 16.66365 7.739796 -2.204551      10.52139 
1 1 1 -35 14 10 o 21.81762 8.369524 46.00316       25.05906 17.48000       38.35628 67.24400       33.09966 16.97389 8.124204 23.79930 9.473806 -6.825411      12.48021 
1 1 1 -35 14 11 o 17.88818 7.542732 26.34835       22.57323 -22.39543      31.81551 75.75875       32.03233 13.40321 6.623941 25.81437 9.557246 -12.41117      11.62831 
1 1 1 -35 14 12 o 12.63961 6.053380 -7.736029      21.36568 -14.11272      29.89073 -1.074348      30.55138 13.64121 6.677103 14.76388 7.113925 -1.122671      9.756620 
1 1 1 -35 14 13 o 16.01233 7.131117 16.26249       22.56717 4.853020       32.95113 26.34157       30.97047 15.48576 7.442889 17.58326 8.039818 -2.097497      10.95606 
1 1 1 -35 14 14 o 17.82119 7.567567 26.56033       22.98878 29.97968       33.45669 23.50199       31.64129 17.94429 8.260674 17.22446 7.966358 0.7198257      11.47613 
1 1 1 -35 14 15 o 18.53032 7.720293 30.23108       23.21826 15.14025       33.94479 43.49884       31.82845 16.43723 7.804045 19.81924 8.660967 -3.382004      11.65828 
1 1 1 -35 14 16 o 15.07570 6.899520 10.09590       22.87683 33.55967       33.50349 -10.39990      31.31292 18.34454 8.378114 14.08216 6.880380 4.262379       10.84124 
1 1 1 -35 14 17 o 20.22017 8.411585 42.86227       27.50223 64.30000       54.17248 35.41838       31.92194 19.53117 9.426440 18.52908 8.348543 1.002085       12.59190 
1 1 1 -35 14 18 o 16.72207 7.641616 21.73748       27.92549 -5.222000      52.78142 32.21776       32.90876 15.86372 7.948920 17.91383 8.226910 -2.050107      11.43973 
1 1 1 -35 14 19 o 16.58192 7.611938 21.24895       28.13102 32.69000       53.46819 16.86976       33.07951 17.45149 8.617666 16.22733 7.704259 1.224159       11.55940 
1 1 1 -35 14 20 o 18.09917 8.024301 33.30006       28.25201 34.06000       52.50154 32.99030       33.51883 17.36571 8.568576 17.72910 8.199596 -0.3633881     11.85976 
1 1 1 -35 14 21 o 12.04129 5.982132 -25.97419      27.25069 -17.56000      51.12955 -29.31265      32.20620 14.97758 7.547222 12.66891 6.327232 2.308670       9.848575 
1 1 1 -35 14 22 o 16.90818 7.711503 27.04304       28.25843 104.5000       52.48188 -4.581920      33.53468 21.38012 10.01204 14.21181 6.980100 7.168313       12.20503 
1 1 1 -35 14 23 o 17.97018 7.652603 32.63181       23.62433 61.48343       34.70420 7.716072       32.25030 20.41962 8.979951 14.86066 7.196694 5.558952       11.50791 
1 1 1 -35 14 24 o 13.48624 6.417253 1.785295       23.20882 -17.71881      32.50062 22.08099       33.15359 13.16046 6.537269 16.11633 7.669065 -2.955875      10.07722 
1 1 1 -35 15 1  o 18.22200 7.717508 27.84224       23.80320 3.821630       28.35558 85.16000       43.80172 15.09074 7.155418 23.58649 10.23553 -8.495750      12.48864 
1 1 1 -35 15 2  o 12.92230 6.101413 -3.725523      20.20999 3.886260       28.88494 -11.02539      28.28692 15.15433 7.196105 13.72494 6.668442 1.429394       9.810813 
1 1 1 -35 15 3  o 18.73108 7.939277 31.14060       25.22364 -3.005000      48.31413 43.93461       29.57401 16.21653 8.040687 20.48833 8.635999 -4.271797      11.79971 
1 1 1 -35 15 4  o 13.58495 6.629253 -13.75434      28.81068 0.000000       0.000000 -13.75434      28.81068 ?        ?        13.58495 6.629253 ?              ?        
1 1 1 -35 15 5  o 14.52181 6.873920 1.458241       25.95532 55.61000       50.61000 -17.86740      30.23410 19.69399 9.400433 13.50649 6.632481 6.187500       11.50469 
1 1 1 -35 15 6  o 15.82818 7.868319 -8.751000      47.43319 0.000000       0.000000 -8.751000      47.43319 ?        ?        15.82818 7.868319 ?              ?        
1 1 1 -35 15 7  o 17.75745 8.043127 26.96125       30.08981 0.000000       0.000000 26.96125       30.08981 ?        ?        17.75745 8.043127 ?              ?        
1 1 1 -35 15 8  o 20.14105 8.686390 44.49013       31.15822 0.000000       0.000000 44.49013       31.15822 ?        ?        20.14105 8.686390 ?              ?        
1 1 1 -35 15 9  o 10.98205 5.565372 -63.54755      30.26851 0.000000       0.000000 -63.54755      30.26851 ?        ?        10.98205 5.565372 ?              ?        
1 1 1 -35 15 10 o 36.63820 8.395919 111.9117       29.46346 26.39000       55.09121 146.1724       34.86921 17.60963 8.705278 40.91557 8.955689 -23.30594      12.48945 
1 1 1 -35 15 11 o 23.72810 8.879041 59.26638       27.78943 14.20000       53.59633 75.83659       32.49920 16.99775 8.435098 25.40981 9.582092 -8.412067      12.76587 
1 1 1 -35 15 12 o 12.84641 6.289011 -16.56869      26.54700 -32.36000      51.67244 -10.90603      30.94284 14.99723 7.560909 13.98075 6.832713 1.016487       10.19084 
1 1 1 -35 15 13 o 17.47638 7.819355 25.56162       27.46630 70.40000       52.92202 9.031654       32.13271 20.20962 9.637181 15.74768 7.509442 4.461936       12.21749 
1 1 1 -35 15 14 o 23.59855 8.928088 59.64896       28.26699 -22.52000      53.39614 91.64254       33.31866 15.46938 7.784369 28.44339 9.836022 -12.97401      12.54367 
1 1 1 -35 15 15 o 18.76029 8.111365 34.32695       27.30490 23.03000       52.84470 38.44151       31.89206 17.28807 8.542570 18.95184 8.456371 -1.663769      12.02022 
1 1 1 -35 15 16 o 14.83481 7.019756 5.980802       27.02599 18.66000       53.03329 1.532972       31.41063 16.90382 8.388864 14.85355 7.171086 2.050272       11.03619 
1 1 1 -35 15 17 o 20.06851 8.494690 44.98613       28.81123 0.6354000      54.15293 62.49662       34.02676 16.06942 8.051923 21.79313 9.228461 -5.723709      12.24736 
1 1 1 -35 15 18 o 21.79559 8.774164 54.82895       28.72075 70.97000       53.62064 48.33501       34.01104 19.47747 9.395002 19.60046 8.740144 -0.1229897     12.83184 
1 1 1 -35 15 19 o 13.13478 6.421813 -11.21412      27.41275 4.834000       52.47997 -17.23578      32.14693 15.95085 7.982868 13.38996 6.624840 2.560886       10.37375 
1 1 1 -35 15 20 o 15.15436 7.176423 11.26546       28.34798 43.61000       53.60226 -1.293680      33.40123 17.51743 8.646158 14.48089 7.081797 3.036544       11.17622 
1 1 1 -35 15 21 o 12.99936 6.367883 -10.70639      27.34655 -12.23000      51.30122 -10.10160      32.32153 14.96326 7.542514 13.67441 6.742645 1.288846       10.11695 
1 1 1 -35 15 22 o 13.05464 6.391616 -8.817389      27.44183 -33.85000      50.12586 1.896104       32.79248 14.01919 7.110672 14.40493 7.038721 -0.3857441     10.00526 
1 1 1 -35 15 23 o 12.57175 6.091199 -6.978766      23.17559 12.68315       32.84844 -26.46636      32.70250 15.25270 7.356233 12.67663 6.337865 2.576069       9.709928 
1 1 1 -35 16 1  o 14.79383 6.618505 10.44305       19.67297 29.84453       28.19656 -7.960163      27.46157 18.12544 8.027187 13.73564 6.649250 4.389806       10.42345 
1 1 1 -35 16 2  o 19.54235 7.543165 32.86723       20.44345 27.14773       28.66759 38.78552       29.16156 17.71624 7.952811 19.43186 8.392114 -1.715624      11.56178 
1 1 1 -35 16 3  o 14.06526 6.452326 5.483880       20.16667 13.72362       28.84528 -2.394376      28.20545 16.03001 7.479062 14.33126 6.887511 1.698751       10.16731 
1 1 1 -35 16 4  o 17.51593 7.490251 24.91078       22.80077 -15.04000      35.48765 52.99660       29.75487 14.30406 7.055400 21.80149 8.874604 -7.497435      11.33743 
1 1 1 -35 16 5  o 14.98976 7.153317 3.447745       29.27005 0.000000       0.000000 3.447745       29.27005 ?        ?        14.98976 7.153317 ?              ?        
1 1 1 -35 16 6  o 21.25602 8.922421 52.24517       31.36208 0.000000       0.000000 52.24517       31.36208 ?        ?        21.25602 8.922421 ?              ?        
1 1 1 -35 16 7  o 18.72906 9.030919 45.72000       49.44369 0.000000       0.000000 45.72000       49.44369 ?        ?        18.72906 9.030919 ?              ?        
1 1 1 -35 16 8  o 16.19078 7.449702 16.21318       27.16224 30.73000       54.47522 11.40984       31.33540 17.75708 8.755326 15.90230 7.534880 1.854775       11.55120 
1 1 1 -35 16 9  o 13.13605 6.388186 -11.86091      26.12015 3.038000       52.40450 -16.78587      30.12955 16.40569 8.174129 13.42463 6.598030 2.981052       10.50478 
1 1 1 -35 16 10 o 16.31916 7.478128 17.38617       26.98921 46.03000       53.95115 7.825348       31.16970 18.55208 9.057178 15.53635 7.405151 3.015726       11.69909 
1 1 1 -35 16 11 o 26.82657 9.162956 74.53075       28.88794 29.02000       55.49655 91.44538       33.83297 17.65636 8.729999 28.03907 9.896719 -10.38272      13.19689 
1 1 1 -35 16 12 o 16.56246 7.564899 19.30250       27.32311 -5.438000      52.87511 28.31570       31.91439 16.04876 8.029054 17.69649 8.117684 -1.647728      11.41764 
1 1 1 -35 16 13 o 17.75615 7.888183 28.37471       27.43986 -40.48000      54.24986 52.04661       31.80888 14.80897 7.498756 20.92028 8.893315 -6.111314      11.63282 
1 1 1 -35 16 14 o 21.54959 8.646515 51.16102       27.79325 64.29000       53.96594 46.42160       32.42400 19.27504 9.328485 19.77075 8.687763 -0.4957123     12.74747 
1 1 1 -35 16 15 o 23.07657 8.878351 59.70102       28.25549 37.05000       54.96052 67.83857       32.94228 17.63246 8.712592 22.99066 9.345584 -5.358196      12.77690 
1 1 1 -35 16 16 o 25.66872 9.197328 73.74132       29.32170 29.23000       54.95868 91.45282       34.66799 17.17286 8.525360 26.67414 9.929983 -9.501286      13.08764 
1 1 1 -35 16 17 o 12.51177 6.179358 -20.08833      27.52918 -42.52000      52.58931 -11.62128      32.30969 14.30828 7.260053 13.77472 6.782335 0.5335598      9.935212 
1 1 1 -35 16 18 o 16.39115 7.565570 22.05124       28.32718 10.27000       53.58387 26.62084       33.37168 16.08400 8.051987 16.85529 7.921842 -0.7712860     11.29558 
1 1 1 -35 16 19 o 16.27981 7.525086 22.16708       28.17294 15.16000       53.70386 24.82764       33.09207 16.13226 8.073916 16.54105 7.809261 -0.4087963     11.23266 
1 1 1 -35 16 20 o 14.29520 6.857436 4.950362       27.66706 14.69000       52.75967 1.256144       32.49316 15.92444 7.974694 14.39625 7.028428 1.528188       10.62989 
1 1 1 -35 16 21 o 11.78982 5.813065 -17.92670      24.01272 -61.20308      35.20415 19.72656       32.83747 11.52456 5.857009 15.81002 7.553524 -4.285457      9.558258 
1 1 1 -35 16 22 o 17.33612 7.763144 32.45550       27.13435 3.220711       33.09881 92.37000       47.38363 14.43200 7.056136 20.63440 9.613436 -6.202402      11.92507 
1 1 1 -35 17 1  o 22.52836 8.336518 49.36356       24.36665 0.6657991      30.49254 135.4000       40.53034 14.81820 7.131720 33.20008 10.84428 -18.38188      12.97921 
1 1 1 -35 17 2  o 16.40178 7.443164 18.43158       25.91648 20.09000       34.96668 16.41000       38.60581 16.84656 7.975558 16.64060 8.012817 0.2059593      11.30552 
1 1 1 -35 17 3  o 14.82208 6.801520 8.984985       22.43107 2.299000       34.74543 13.76287       29.37195 15.34306 7.439679 15.98727 7.487734 -0.6442080     10.55533 
1 1 1 -35 17 4  o 28.88638 8.189230 71.76219       24.21285 57.11000       37.36425 82.36945       31.79118 20.75165 9.212659 27.05503 9.589349 -6.303389      13.29770 
1 1 1 -35 17 5  o 17.39623 7.508352 24.76538       23.31481 -4.279000      35.57420 46.63409       30.86851 14.94716 7.309550 20.32890 8.704705 -5.381739      11.36668 
1 1 1 -35 17 6  o 13.04574 6.172459 -2.772871      20.88407 -5.469915      29.12618 0.8090891E-01  29.96055 14.13051 6.842174 14.70769 7.076158 -0.5771828     9.843138 
1 1 1 -35 17 7  o 12.74971 6.150109 -9.434910      22.98337 -18.67000      36.67632 -3.463310      29.49243 14.17317 7.023685 14.34529 6.931343 -0.1721201     9.867911 
1 1 1 -35 17 8  o 18.43171 7.654892 29.92951       22.72295 33.10615       32.42022 26.86222       31.85738 18.24911 8.298522 17.51824 8.063190 0.7308750      11.57067 
1 1 1 -35 17 9  o 23.74187 9.826913 77.96518       37.27079 74.01000       55.56588 81.20000       50.25159 20.04937 9.643716 21.19934 9.884461 -1.149975      13.80956 
1 1 1 -35 17 10 o 15.73875 7.311388 13.44992       27.09885 -21.92000      53.50505 25.65313       31.42785 15.36395 7.739189 17.28944 7.976148 -1.925493      11.11368 
1 1 1 -35 17 11 o 17.45523 7.827800 27.19134       27.69698 21.79000       53.68757 29.15022       32.33159 17.02886 8.449114 17.56840 8.099519 -0.5395355     11.70426 
1 1 1 -35 17 12 o 14.52146 6.908410 3.818142       26.86918 -17.84000      53.46726 11.13572       31.07856 15.33560 7.726383 15.59104 7.420824 -0.2554359     10.71287 
1 1 1 -35 17 13 o 20.56412 8.495804 47.06882       27.78699 82.57000       56.06638 35.50943       31.99253 20.00124 9.637414 18.18562 8.259422 1.815617       12.69243 
1 1 1 -35 17 14 o 14.47648 6.901214 3.949541       27.09678 -13.15000      54.30003 9.619655       31.26826 15.42721 7.774287 15.36225 7.348077 0.6496334E-01  10.69737 
1 1 1 -35 17 15 o 13.18920 6.446197 -10.63598      27.55145 -23.95000      54.10680 -5.975333      32.01254 14.96069 7.565667 14.10565 6.905613 0.8550434      10.24338 
1 1 1 -35 17 16 o 13.34072 6.508947 -8.346574      27.74017 10.17000       53.10085 -15.29659      32.53226 16.05652 8.034896 13.48619 6.670999 2.570326       10.44326 
1 1 1 -35 17 17 o 19.47988 8.379359 45.21082       28.84928 75.40000       54.70429 33.57996       33.95482 19.00728 9.243745 17.38823 8.113329 1.619047       12.29931 
1 1 1 -35 17 18 o 19.14846 8.300605 44.12576       28.74270 38.21000       53.85001 46.48256       33.98932 16.94498 8.416774 18.65825 8.489408 -1.713270      11.95459 
1 1 1 -35 17 19 o 17.63679 7.938023 35.28477       28.77221 60.81000       54.30784 25.32447       33.92454 17.78691 8.764643 16.27316 7.747658 1.513744       11.69808 
1 1 1 -35 17 20 o 16.38265 7.319889 24.17463       23.98118 10.57069       34.05724 37.55289       33.77356 15.08206 7.325336 17.49403 8.138848 -2.411968      10.94995 
1 1 1 -35 17 21 o 19.83334 8.721891 57.84928       32.73627 7.759000       43.94564 120.3000       49.06907 15.06794 7.504016 22.47283 10.21533 -7.404889      12.67530 
1 1 1 -35 18 1  o 27.81666 8.939581 76.08194       27.60907 53.06000       37.08727 104.7000       41.34985 20.19135 9.056189 26.47981 10.57295 -6.288456      13.92127 
1 1 1 -35 18 2  o 12.91787 6.281863 -12.05743      25.25201 -11.84000      34.14246 -12.32000      37.51941 14.24569 7.005948 14.58216 7.204125 -0.3364687     10.04902 
1 1 1 -35 18 3  o 20.46047 8.405391 43.80798       26.99660 20.20000       36.48878 72.36000       40.12808 16.81355 8.013407 22.05959 9.680134 -5.246037      12.56661 
1 1 1 -35 18 4  o 21.17182 8.234928 44.45332       24.50599 54.13124       30.85574 27.92000       40.32971 21.46337 8.917619 17.45535 8.348141 4.008024       12.21537 
1 1 1 -35 18 5  o 15.77613 7.156272 15.39589       23.92677 23.85011       30.31045 1.417000       38.97554 17.04510 7.852498 15.48853 7.590336 1.556569       10.92131 
1 1 1 -35 18 6  o 12.45070 5.970006 -7.339893      20.91816 -5.904453      29.61966 -8.768199      29.54597 14.04344 6.823314 13.80872 6.732919 0.2347193      9.585917 
1 1 1 -35 18 7  o 11.55768 5.636548 -15.67662      20.73828 21.08444       28.66119 -56.07146      30.04438 16.60508 7.644749 11.13474 5.631663 5.470333       9.495147 
1 1 1 -35 18 8  o 12.74659 6.109332 -5.928995      21.85532 -10.62890      31.27966 -1.445963      30.54944 13.83298 6.783298 14.44003 6.995696 -0.6070499     9.744378 
1 1 1 -35 18 9  o 17.78977 7.683179 29.03174       24.44427 22.38000       38.80910 33.40600       31.47157 16.75556 8.059422 17.96399 8.171734 -1.208429      11.47744 
1 1 1 -35 18 10 o 14.17546 6.626886 5.485374       22.82990 -18.95711      32.25637 30.01896       32.31643 13.36386 6.616266 17.47470 8.071051 -4.110837      10.43632 
1 1 1 -35 18 11 o 11.73465 5.834272 -28.16711      26.11842 -17.07810      31.10796 -54.66000      48.08280 13.29515 6.566720 13.59649 6.903368 -0.3013334     9.527765 
1 1 1 -35 18 12 o 16.31778 7.222098 20.88050       22.78930 47.83969       33.19083 -3.165250      31.34612 19.45783 8.657973 14.24909 6.944840 5.208735       11.09916 
1 1 1 -35 18 13 o 24.04128 8.279431 56.91876       23.59844 56.75598       34.26813 57.06558       32.54498 20.36080 8.939730 20.79073 8.920893 -0.4299297     12.62937 
1 1 1 -35 18 14 o 12.36510 6.005450 -10.03644      22.88340 -17.79796      32.57382 -2.473562      32.15429 13.29775 6.594988 14.25367 6.965902 -0.9559202     9.592584 
1 1 1 -35 18 15 o 14.43859 6.729636 9.253482       23.25798 15.45150       32.84628 3.021018       32.93742 15.62844 7.490317 14.64038 7.131847 0.9880581      10.34254 
1 1 1 -35 18 16 o 14.15597 6.639202 7.620362       23.22778 1.846820       32.41954 13.71033       33.29608 14.42375 7.037179 15.39101 7.418745 -0.9672604     10.22544 
1 1 1 -35 18 17 o 13.28932 6.359942 0.3597856      23.49171 -38.87608      32.95745 40.88267       33.49363 12.05991 6.074755 17.84327 8.232529 -5.783361      10.23119 
1 1 1 -35 18 18 o 14.97759 6.905201 14.75413       23.50105 -18.36298      32.69138 50.17167       33.80775 13.04843 6.494021 18.87214 8.539007 -5.823707      10.72786 
1 1 1 -35 18 19 o 11.13503 5.573913 -31.51489      25.64950 -25.32043      31.69979 -43.26000      43.64989 12.46704 6.234108 13.04616 6.619082 -0.5791178     9.092654 
1 1 1 -35 19 1  o 10.70124 5.297322 -25.05967      20.65211 -22.26979      28.79712 -28.01403      29.63385 12.63114 6.253135 12.41762 6.180536 0.2135181      8.792083 
1 1 1 -35 19 2  o 11.94303 5.777217 -10.83335      20.63479 -25.34119      28.17523 5.950696       30.30502 12.32530 6.116309 14.98249 7.184436 -2.657188      9.435325 
1 1 1 -35 19 3  o 18.63538 7.807517 33.57206       23.94396 21.83344       29.56891 55.93000       40.80777 16.56211 7.674348 19.53734 9.039906 -2.975225      11.85814 
1 1 1 -35 19 4  o 18.40565 7.838697 33.02057       24.79088 20.34076       31.47829 53.73000       40.22898 16.40968 7.706559 19.36498 8.965551 -2.955299      11.82253 
1 1 1 -35 19 5  o 23.78258 8.568738 58.56873       25.49044 30.11573       32.00826 107.9000       42.14628 17.44916 8.049697 25.71383 10.52601 -8.264669      13.25121 
1 1 1 -35 19 6  o 17.65781 7.672299 28.98148       24.67396 38.94455       30.54734 10.28000       41.85185 18.64595 8.300808 15.90117 7.807403 2.744781       11.39557 
1 1 1 -35 19 7  o 14.23186 6.748035 4.007835       25.21623 5.159291       32.05345 2.138000       40.84631 14.98216 7.235863 15.34999 7.570934 -0.3678331     10.47267 
1 1 1 -35 19 8  o 15.22696 7.060316 12.90855       25.08846 21.08325       31.78375 -0.6044000     40.86434 16.38242 7.709415 15.16007 7.494913 1.222356       10.75215 
1 1 1 -35 19 9  o 14.11101 6.696296 3.801992       24.93165 36.46533       31.68938 -49.26000      40.39013 18.05001 8.206603 12.86546 6.509613 5.184550       10.47489 
1 1 1 -35 19 10 o 15.93183 7.097698 19.22071       22.37592 30.48753       31.42517 7.634009       31.86813 17.28100 7.973524 15.04336 7.252860 2.237646       10.77873 
1 1 1 -35 19 11 o 18.26842 7.818580 34.09746       24.88130 26.34000       38.40455 39.70895       32.66344 16.65993 8.014416 18.20606 8.298571 -1.546133      11.53677 
1 1 1 -35 19 12 o 11.49634 5.729095 -28.57120      25.79214 -6.249968      30.22084 -88.43000      49.48932 13.69950 6.707366 12.58987 6.444597 1.109634       9.301698 
1 1 1 -35 19 13 o 12.72096 6.127250 -4.770361      22.61398 -22.15649      30.76808 15.65575       33.34968 12.68247 6.309951 15.57309 7.485611 -2.890618      9.790295 
1 1 1 -35 19 14 o 16.26880 7.235926 23.12752       23.15834 31.85348       32.03959 13.58130       33.51165 17.02022 7.921368 15.31358 7.396591 1.706636       10.83779 
1 1 1 -35 19 15 o 12.85136 6.191426 -3.074864      23.12031 11.11561       32.23825 -18.10293      33.17603 14.95750 7.231941 13.08824 6.518407 1.869264       9.736047 
1 1 1 -35 19 16 o 12.26695 5.976385 -9.470808      23.14865 -23.10842      31.77356 5.956379       33.79404 12.64669 6.311241 14.65761 7.158565 -2.010922      9.543417 
1 1 1 -35 19 17 o 14.08585 6.718447 6.812503       25.74914 -10.68642      31.52867 41.86000       44.61990 13.27507 6.566700 16.96958 8.274097 -3.694507      10.56325 
1 1 1 -35 20 1  o 13.84304 6.416837 6.218887       20.70190 11.93072       28.97937 0.2662997      29.58381 15.24820 7.231134 14.23401 6.893109 1.014190       9.990208 
1 1 1 -35 20 2  o 12.55550 5.989547 -3.728075      20.48320 -22.15739      28.20140 16.84964       29.79989 12.40495 6.149448 15.78305 7.438945 -3.378102      9.651611 
1 1 1 -35 20 3  o 12.53624 5.992630 -4.285417      20.72755 -34.35785      28.52314 29.36599       30.17273 11.73478 5.874678 17.17751 7.884600 -5.442732      9.832536 
1 1 1 -35 20 4  o 17.12558 7.284519 25.82803       21.36342 31.58085       29.88483 19.81585       30.55106 17.45106 7.947983 16.08558 7.566209 1.365482       10.97351 
1 1 1 -35 20 5  o 14.97016 6.893230 12.80982       23.31707 18.67063       29.27208 2.635000       38.56897 15.92360 7.463397 15.05641 7.412788 0.8671951      10.51911 
1 1 1 -35 20 6  o 13.64445 6.531810 0.3623223      24.81808 -21.63894      31.19818 38.28000       40.95684 12.85503 6.388816 17.49175 8.378231 -4.636724      10.53621 
1 1 1 -35 20 7  o 14.26260 6.757813 6.169253       25.20300 -1.344419      31.48128 19.58000       42.05840 14.19797 6.928680 16.12773 7.899682 -1.929763      10.50769 
1 1 1 -35 20 8  o 15.50012 7.153159 16.89435       25.30845 21.38754       32.02603 9.422000       41.30043 16.11079 7.628886 15.45846 7.622242 0.6523352      10.78418 
1 1 1 -35 20 9  o 14.71126 6.909224 10.73258       25.30645 23.30443       31.92292 -10.53000      41.51558 16.24807 7.670677 14.38939 7.186063 1.858687       10.51089 
1 1 1 -35 20 10 o 12.50889 6.109046 -10.39041      24.60797 -8.765676      30.62653 -13.35000      41.33540 13.46515 6.624708 14.18744 7.098027 -0.7222834     9.709209 
1 1 1 -35 20 11 o 20.37320 8.248247 47.74760       25.54102 41.53972       31.79064 59.05000       42.89564 18.11341 8.229260 18.59031 8.810678 -0.4768944     12.05607 
1 1 1 -35 20 12 o 17.16183 7.773138 32.17646       28.10138 29.25000       36.95250 36.19000       43.27486 16.44244 7.897288 16.76448 8.168398 -0.3220387     11.36177 
1 1 1 -35 20 13 o 12.64083 6.180798 -9.089533      25.40843 -28.33123      30.79651 31.93000       44.96506 12.20210 6.107995 16.43889 8.075674 -4.236788      10.12542 
1 1 1 -35 20 14 o 13.20919 6.522530 -10.95561      30.61948 -10.95561      30.61948 0.000000       0.000000 13.20919 6.522530 ?        ?        ?              ?        
1 1 1 -35 20 15 o 18.80249 8.062518 42.94987       26.55108 40.43085       32.32869 48.17000       46.53858 17.54731 8.093152 17.10615 8.364305 0.4411583      11.63876 
1 1 1 -35 21 1  o 17.73976 7.363281 29.94492       21.00762 6.738005       28.66149 56.88528       30.88103 14.47379 6.952627 20.57085 8.754349 -6.097065      11.17934 
1 1 1 -35 21 2  o 22.80446 7.955946 51.19500       21.82206 19.33367       30.13032 86.34618       31.64766 15.74543 7.439060 25.94518 9.518041 -10.19974      12.08026 
1 1 1 -35 21 3  o 23.13339 7.950560 52.27372       21.75743 10.82576       29.91710 98.80758       31.69950 14.91488 7.148383 28.80657 9.598466 -13.89169      11.96787 
1 1 1 -35 21 4  o 16.18676 7.102060 22.43131       21.59334 35.52441       30.71516 9.636653       30.36309 17.50225 8.004228 14.81809 7.127804 2.684161       10.71789 
1 1 1 -35 21 5  o 16.70098 7.265250 25.63032       22.18058 -17.83202      30.11101 77.19237       32.79698 12.76104 6.330880 23.33652 9.382558 -10.57548      11.31868 
1 1 1 -35 21 6  o 15.08020 6.834676 16.01661       21.76747 -16.56668      30.51952 49.75366       31.05517 12.87243 6.383981 19.27992 8.486161 -6.407484      10.61933 
1 1 1 -35 21 7  o 12.19841 5.898449 -6.785086      21.45751 -5.344492      29.49725 -8.404184      31.27141 13.46998 6.601555 13.44962 6.631882 0.2035141E-01  9.357478 
1 1 1 -35 21 8  o 11.98325 5.834830 -9.800434      21.97772 -2.502471      30.72523 -17.44667      31.44982 13.75910 6.742074 12.87414 6.401025 0.8849554      9.296702 
1 1 1 -35 21 9  o 12.95664 6.282813 -4.018971      24.78713 -11.06704      30.68336 9.221000       42.05439 13.16732 6.506933 15.12461 7.499705 -1.957282      9.929036 
1 1 1 -35 21 10 o 18.43726 7.938771 39.06949       25.94457 41.97705       32.28664 33.77000       43.58889 17.92101 8.199773 16.54178 8.089742 1.379236       11.51869 
1 1 1 -35 21 11 o 13.31338 6.413355 -0.1609131     24.79240 11.08814       30.82210 -20.78000      41.72909 14.81936 7.141846 13.71172 6.897481 1.107646       9.928807 
1 1 1 -35 21 12 o 17.35210 7.692835 33.77689       25.96405 35.22177       32.11432 31.05000       44.11809 16.94381 7.900784 16.14876 7.946203 0.7950459      11.20556 
1 1 1 -35 22 1  o 17.34726 7.344118 29.41373       21.54136 8.248283       30.27182 51.12555       30.66006 14.54977 7.028227 19.39724 8.487977 -4.847470      11.02006 
1 1 1 -35 22 2  o 17.77280 7.382353 31.18084       21.13825 9.483283       29.09413 55.44007       30.76369 14.58420 7.005466 20.03027 8.634861 -5.446067      11.11924 
1 1 1 -35 22 3  o 12.16030 5.863904 -5.699744      20.85350 -11.35249      29.38568 0.3501599E-01  29.59808 12.98958 6.409530 13.83241 6.743229 -0.8428297     9.303397 
1 1 1 -35 22 4  o 11.76754 5.717635 -9.563957      20.80086 -32.21475      29.01881 14.37371       29.83175 11.69683 5.865685 15.06388 7.197724 -3.367055      9.285122 
1 1 1 -35 22 5  o 16.24398 7.155749 23.85971       22.12336 52.84993       30.94214 -6.460540      31.64397 19.57049 8.546156 13.55918 6.683112 6.011302       10.84900 
1 1 1 -35 22 6  o 16.36129 7.184585 24.91161       22.13956 -3.734174      30.42362 57.15744       32.27880 13.57653 6.664117 19.77606 8.679885 -6.199531      10.94307 
1 1 1 -35 22 7  o 13.02883 6.193457 2.142271       21.51090 -1.995828      29.88276 6.592549       30.98944 13.58768 6.656192 14.31813 6.961933 -0.7304420     9.631895 
1 1 1 -35 22 8  o 16.80801 7.483200 29.99432       24.83121 14.44040       30.31617 61.70000       43.28355 14.87486 7.146638 18.12118 8.661655 -3.246328      11.22937 
1 1 1 -34 0  1  o 16.58468 9.527126 27.90406       24.66234 27.90406       24.66234 27.90406       24.66234 16.58468 9.527126 16.58468 9.527126 0.000000       0.000000 
1 1 1 -34 0  2  o 22.08292 10.51123 47.20456       25.92700 47.20456       25.92700 47.20456       25.92700 22.08292 10.51123 22.08292 10.51123 -0.000000      0.000000 
1 1 1 -34 0  3  o 20.10757 10.21140 40.47204       25.11922 40.47204       25.11922 40.47204       25.11922 20.10757 10.21140 20.10757 10.21140 0.000000       0.000000 
1 1 1 -34 0  4  o 13.05070 8.358307 11.48237       24.04638 11.48237       24.04638 11.48237       24.04638 13.05070 8.358307 13.05070 8.358307 0.000000       0.000000 
1 1 1 -34 0  5  o 20.27241 10.19110 40.88525       24.88223 40.88525       24.88223 40.88525       24.88223 20.27241 10.19110 20.27241 10.19110 -0.000000      0.000000 
1 1 1 -34 0  6  o 11.24097 7.560806 0.1405030      23.70881 0.1405030      23.70881 0.1405030      23.70881 11.24097 7.560806 11.24097 7.560806 0.000000       0.000000 
1 1 1 -34 0  7  o 10.12019 6.982224 -8.089999      23.13910 -8.089999      23.13910 -8.089999      23.13910 10.12019 6.982224 10.12019 6.982224 0.000000       0.000000 
1 1 1 -34 0  8  o 19.54409 10.14171 39.09277       25.11661 39.09277       25.11661 39.09277       25.11661 19.54409 10.14171 19.54409 10.14171 -0.000000      0.000000 
1 1 1 -34 0  9  o 10.29989 7.116800 -8.273759      24.25927 -8.273759      24.25927 -8.273759      24.25927 10.29989 7.116800 10.29989 7.116800 -0.000000      0.000000 
1 1 1 -34 0  10 o 14.59912 9.096894 19.66791       26.36583 19.66791       26.36583 19.66791       26.36583 14.59912 9.096894 14.59912 9.096894 -0.000000      0.000000 
1 1 1 -34 0  11 o 14.27085 8.950395 18.04318       25.96026 18.04318       25.96026 18.04318       25.96026 14.27085 8.950395 14.27085 8.950395 -0.000000      0.000000 
1 1 1 -34 0  12 o 10.36410 7.183747 -9.288652      25.21075 -9.288652      25.21075 -9.288652      25.21075 10.36410 7.183747 10.36410 7.183747 -0.000000      0.000000 
1 1 1 -34 0  13 o 15.69054 9.479544 25.38523       26.67049 25.38523       26.67049 25.38523       26.67049 15.69054 9.479544 15.69054 9.479544 -0.000000      0.000000 
1 1 1 -34 0  14 o 13.66744 8.738178 14.98108       26.14193 14.98108       26.14193 14.98108       26.14193 13.66744 8.738178 13.66744 8.738178 0.000000       0.000000 
1 1 1 -34 0  15 o 14.84300 9.162015 21.52760       26.12951 21.52760       26.12951 21.52760       26.12951 14.84300 9.162015 14.84300 9.162015 0.000000       0.000000 
1 1 1 -34 0  16 o 32.55009 10.08731 80.66479       28.14132 80.66479       28.14132 80.66479       28.14132 32.55009 10.08731 32.55009 10.08731 0.000000       0.000000 
1 1 1 -34 0  17 o 13.10017 8.531068 11.29022       26.47413 11.29022       26.47413 11.29022       26.47413 13.10017 8.531068 13.10017 8.531068 0.000000       0.000000 
1 1 1 -34 0  18 o 21.43905 10.91846 49.49627       28.76528 49.49627       28.76528 49.49627       28.76528 21.43905 10.91846 21.43905 10.91846 0.000000       0.000000 
1 1 1 -34 0  19 o 8.811276 6.353346 -34.96728      27.62167 -34.96728      27.62167 -34.96728      27.62167 8.811276 6.353346 8.811276 6.353346 0.000000       0.000000 
1 1 1 -34 0  20 o 18.45337 11.23431 44.64000       38.06981 44.64000       38.06981 44.64000       38.06981 18.45337 11.23431 18.45337 11.23431 -0.000000      0.000000 
1 1 1 -34 0  21 o 22.12873 12.99087 74.14000       47.46040 74.14000       47.46040 74.14000       47.46040 22.12873 12.99087 22.12873 12.99087 -0.000000      0.000000 
1 1 1 -34 0  22 o 13.58690 8.854813 14.14584       28.59912 14.14584       28.59912 14.14584       28.59912 13.58690 8.854813 13.58690 8.854813 0.000000       0.000000 
1 1 1 -34 0  23 o 11.25565 7.750679 -4.389067      28.18597 -4.389067      28.18597 -4.389067      28.18597 11.25565 7.750679 11.25565 7.750679 0.000000       0.000000 
1 1 1 -34 0  24 o 16.97419 10.22973 33.91224       30.90201 33.91224       30.90201 33.91224       30.90201 16.97419 10.22973 16.97419 10.22973 -0.000000      0.000000 
1 1 1 -34 0  25 o 14.40558 9.964711 9.488000       47.88770 9.488000       47.88770 9.488000       47.88770 14.40558 9.964711 14.40558 9.964711 -0.000000      0.000000 
1 1 1 -34 0  26 o 14.24441 9.917994 7.131000       49.49927 7.131000       49.49927 7.131000       49.49927 14.24441 9.917994 14.24441 9.917994 -0.000000      0.000000 
1 1 1 -34 0  27 o 20.95938 11.37033 54.06367       32.76381 54.06367       32.76381 54.06367       32.76381 20.95938 11.37033 20.95938 11.37033 0.000000       0.000000 
1 1 1 -34 0  28 o 28.85676 12.20418 84.67243       34.84126 84.67243       34.84126 84.67243       34.84126 28.85676 12.20418 28.85676 12.20418 -0.000000      0.000000 
1 1 1 -34 0  29 o 13.91081 9.539505 10.89000       41.68745 10.89000       41.68745 10.89000       41.68745 13.91081 9.539505 13.91081 9.539505 0.000000       0.000000 
1 1 1 -34 0  30 o 9.675442 6.954259 -30.87230      31.91994 -30.87230      31.91994 -30.87230      31.91994 9.675442 6.954259 9.675442 6.954259 0.000000       0.000000 
1 1 1 -34 0  31 o 23.68163 11.94523 68.85567       34.24557 68.85567       34.24557 68.85567       34.24557 23.68163 11.94523 23.68163 11.94523 0.000000       0.000000 
1 1 1 -34 0  32 o 9.412884 6.789773 -33.07500      31.69129 -33.07500      31.69129 -33.07500      31.69129 9.412884 6.789773 9.412884 6.789773 0.000000       0.000000 
1 1 1 -34 0  33 o 9.216431 6.667449 -35.71775      31.66231 -35.71775      31.66231 -35.71775      31.66231 9.216431 6.667449 9.216431 6.667449 -0.000000      0.000000 
1 1 1 -34 0  34 o 11.28830 8.099627 -21.30000      42.50674 -21.30000      42.50674 -21.30000      42.50674 11.28830 8.099627 11.28830 8.099627 0.000000       0.000000 
1 1 1 -34 1  1  f 32.62040 6.062288 66.37720       18.64440 33.84026       25.77940 102.0604       26.99705 20.77807 8.330657 38.65717 7.404274 -17.87910      11.14554 
1 1 1 -34 1  2  o 42.41195 4.936049 103.9089       20.10903 77.29949       27.66959 133.6962       29.27522 31.35102 8.707032 45.27666 6.816963 -13.92565      11.05818 
1 1 1 -34 1  3  o 35.53770 5.729193 76.86389       19.25164 104.2639       27.85062 51.79142       26.64147 38.74728 7.614900 24.80470 8.779665 13.94258       11.62193 
1 1 1 -34 1  4  f 17.14601 6.857109 17.89838       17.42079 36.83400       26.04969 2.578154       23.43126 21.36651 8.436655 15.14347 6.949926 6.223042       10.93063 
1 1 1 -34 1  5  o 13.48189 6.058505 1.853608       16.68681 18.27366       24.09870 -13.27108      23.12860 17.68867 7.634045 13.16048 6.301587 4.528191       9.898921 
1 1 1 -34 1  6  o 13.99256 6.206848 4.333017       16.92525 3.167652       24.04925 5.476671       23.82417 15.30341 7.029835 15.58504 7.097466 -0.2816324     9.989626 
1 1 1 -34 1  7  o 16.13016 6.668056 14.16544       17.13136 23.67610       24.28258 4.740723       24.17261 18.63629 7.838632 15.51486 7.097386 3.121431       10.57436 
1 1 1 -34 1  8  o 18.70819 7.185899 24.13241       18.48868 12.17574       24.96493 38.65594       27.51448 16.66732 7.456268 21.40981 8.598691 -4.742489      11.38128 
1 1 1 -34 1  9  o 18.60317 7.123181 23.86490       18.12877 18.75141       25.09904 29.44242       26.21314 17.68088 7.709446 19.61481 8.189982 -1.933929      11.24773 
1 1 1 -34 1  10 o 16.59807 6.813895 16.25638       17.72526 36.93646       24.49892 -6.460686      25.67717 21.27648 8.245351 14.34062 6.802471 6.935854       10.68922 
1 1 1 -34 1  11 o 21.22855 7.472576 33.57721       19.27866 76.19409       28.10262 -4.307600      26.49650 30.31455 8.893403 14.72538 6.962807 15.58917       11.29484 
1 1 1 -34 1  12 o 20.96661 7.399833 32.52208       18.91450 40.04815       26.76224 25.01072       26.73607 21.63561 8.548654 18.74742 8.065487 2.888195       11.75294 
1 1 1 -34 1  13 f 17.31672 7.025117 19.27994       18.57105 19.45686       26.42047 19.10717       26.10917 17.75262 7.820119 17.67940 7.781413 0.7321548E-01  11.03198 
1 1 1 -34 1  14 o 18.91515 7.198615 25.59724       18.44209 33.44047       25.90549 17.53773       26.26024 20.19912 8.258592 17.39444 7.722733 2.804686       11.30685 
1 1 1 -34 1  15 o 14.78686 6.486311 8.240963       18.00178 22.25692       25.34690 -6.024280      25.57131 18.08002 7.816177 14.25552 6.769725 3.824497       10.34030 
1 1 1 -34 1  16 o 25.37738 7.348893 47.06395       19.29996 59.37269       26.90760 34.02134       27.69811 25.99112 8.844002 20.14953 8.416417 5.841597       12.20870 
1 1 1 -34 1  17 o 15.37773 6.676780 10.57629       18.65834 10.56868       26.12406 10.58421       26.65779 16.37367 7.447087 16.43669 7.493947 -0.6301880E-01 10.56496 
1 1 1 -34 1  18 o 11.47027 5.536408 -15.86703      18.69613 9.016046       25.66322 -44.01012      27.29260 16.08959 7.342266 11.67655 5.830537 4.413044       9.375715 
1 1 1 -34 1  19 o 13.33220 6.241139 -3.783017      20.36393 13.17784       28.98289 -20.32002      28.61847 16.87773 7.739793 13.51394 6.597324 3.363791       10.17001 
1 1 1 -34 1  20 o 12.42059 5.930575 -10.68353      20.17777 -29.76183      29.46727 6.159405       27.68719 12.98494 6.409338 15.85294 7.373236 -2.868000      9.769556 
1 1 1 -34 1  21 o 11.99786 5.841183 -19.77600      22.00581 10.30000       36.38918 -37.11638      27.63068 17.13025 8.117616 12.10878 6.017016 5.021469       10.10446 
1 1 1 -34 1  22 o 17.20836 7.572799 18.44909       24.71826 4.586223       29.18009 53.67000       46.51150 15.80255 7.420948 21.06942 9.713959 -5.266874      12.22422 
1 1 1 -34 1  23 o 19.64478 7.626462 30.18790       20.98740 12.92033       29.43106 48.05394       29.93673 16.76925 7.729860 22.19260 8.949517 -5.423349      11.82559 
1 1 1 -34 1  24 o 25.76799 8.658833 58.54580       25.78988 36.54605       30.38739 115.2000       48.76414 20.04944 8.611746 27.94897 11.36702 -7.899538      14.26083 
1 1 1 -34 1  25 o 21.62068 9.264754 49.87315       35.01638 39.58000       50.02681 59.76000       49.02953 19.64329 9.367882 21.32886 9.882783 -1.685574      13.61714 
1 1 1 -34 1  26 o 20.47605 8.397247 38.03482       26.88471 49.39000       49.93401 33.39950       31.90358 20.18748 9.549388 19.31019 8.545877 0.8772907      12.81495 
1 1 1 -34 1  27 o 16.00463 7.364000 10.59396       26.54023 9.733000       51.05214 10.91281       31.06851 17.51167 8.603135 16.45134 7.703749 1.060333       11.54823 
1 1 1 -34 1  28 o 22.78675 8.488714 47.66353       25.34319 30.51000       40.39708 58.79610       32.54401 18.71010 8.768870 23.24443 9.346033 -4.534328      12.81567 
1 1 1 -34 1  29 o 30.15748 9.436086 87.64247       30.93968 91.29000       43.16948 83.79000       44.36568 25.33454 10.53883 23.95421 10.34820 1.380331       14.76998 
1 1 1 -34 1  30 o 25.28651 8.790305 61.29279       26.62647 49.14617       33.40654 82.45000       44.08927 20.93920 9.012129 23.45506 10.22268 -2.515865      13.62798 
1 1 1 -34 1  31 o 16.19757 7.212654 16.57101       23.07832 33.50945       32.72715 -0.1834365     32.54892 18.58527 8.406078 15.14426 7.308574 3.441011       11.13900 
1 1 1 -34 1  32 o 15.50612 7.030034 13.18061       23.05261 14.60235       32.72926 11.78089       32.47487 16.27315 7.707664 15.99426 7.605050 0.2788906      10.82797 
1 1 1 -34 1  33 o 9.581615 4.842540 -49.44593      21.96621 -20.18139      30.96275 -79.09993      31.16809 13.21158 6.530217 10.48697 5.346626 2.724617       8.439795 
1 1 1 -34 1  34 o 15.50524 7.346983 12.13006       29.79677 37.80000       41.68480 -14.69000      42.60839 17.82787 8.515642 14.64655 7.309142 3.181326       11.22229 
1 1 1 -34 2  1  o 45.85331 4.620585 119.2026       20.45581 134.8638       29.25548 104.2217       28.61300 45.52555 6.770980 38.27764 7.898903 7.247910       10.40379 
1 1 1 -34 2  2  o 31.28895 6.288070 62.24223       18.58934 77.72292       27.07615 48.43883       25.56729 31.74216 8.532003 24.21450 8.597916 7.527658       12.11277 
1 1 1 -34 2  3  o 29.27711 6.580954 55.99529       18.39917 56.27080       26.43243 55.73631       25.62697 26.00165 8.766175 26.12993 8.627716 -0.1282806     12.29973 
1 1 1 -34 2  4  o 37.16901 5.403441 82.38937       19.08348 88.19784       27.39692 76.91510       26.59709 34.51722 8.226026 31.71747 8.425309 2.799753       11.77511 
1 1 1 -34 2  5  o 16.04459 6.657180 13.67690       17.16275 17.77419       25.34936 10.20910       23.32092 17.67830 7.727273 16.22617 7.236313 1.452139       10.58655 
1 1 1 -34 2  6  o 12.85267 5.896038 -1.927235      16.83902 -11.87412      24.65480 6.769666       23.05368 13.65089 6.528247 15.63109 7.063964 -1.980205      9.618607 
1 1 1 -34 2  7  o 13.11269 6.034525 -2.000594      17.83421 -14.00499      24.06849 12.61511       26.55758 13.27667 6.375929 16.93545 7.624036 -3.658779      9.938732 
1 1 1 -34 2  8  o 23.25106 7.265996 38.95474       18.35116 33.81466       25.21794 44.74057       26.75513 20.58759 8.244503 22.80372 8.672447 -2.216122      11.96592 
1 1 1 -34 2  9  o 13.68515 6.190033 1.928300       17.74856 16.72957       24.60260 -14.13421      25.62939 17.29185 7.584043 13.57642 6.535155 3.715434       10.01129 
1 1 1 -34 2  10 o 17.03543 6.906685 18.00333       17.93725 21.42999       24.81120 14.25139       25.96213 18.08625 7.775236 16.99801 7.604002 1.088234       10.87544 
1 1 1 -34 2  11 o 23.05806 7.302589 38.73539       18.47687 50.86194       25.91099 26.18954       26.35515 24.37099 8.655310 18.96029 8.078804 5.410696       11.83982 
1 1 1 -34 2  12 o 12.38967 5.808453 -6.310178      17.74796 -23.28172      24.46422 12.54598       25.78679 12.46073 6.086748 16.70811 7.517918 -4.247371      9.673034 
1 1 1 -34 2  13 o 17.59533 7.042799 20.48066       18.39307 32.67215       26.43362 9.037565       25.60942 20.05223 8.285519 16.12817 7.350134 3.924057       11.07584 
1 1 1 -34 2  14 o 17.20976 7.019327 19.02059       18.65871 15.03731       25.98841 23.25823       26.80536 16.98504 7.602317 18.31299 7.976402 -1.327948      11.01899 
1 1 1 -34 2  15 o 13.21630 6.093120 -1.268807      18.29776 18.39399       24.96123 -24.10712      26.90143 17.41145 7.637731 12.91007 6.322409 4.501383       9.915029 
1 1 1 -34 2  16 o 14.37788 6.416179 5.641940       18.36521 -0.1339148     25.51553 11.85075       26.45456 14.90582 6.980475 16.56091 7.517220 -1.655089      10.25844 
1 1 1 -34 2  17 o 14.55442 6.635307 3.537156       20.89435 15.79591       26.63174 -16.09000      33.69807 17.15941 7.686943 14.82160 7.218696 2.337808       10.54508 
1 1 1 -34 2  18 o 22.51210 8.276610 42.49010       23.95138 1.927000       43.98592 59.58651       28.55621 17.22393 8.356150 25.45161 9.081383 -8.227676      12.34086 
1 1 1 -34 2  19 o 16.26075 6.976680 14.75113       19.90255 -20.54443      27.48563 53.65757       28.85735 13.25497 6.469707 23.76940 9.014408 -10.51443      11.09579 
1 1 1 -34 2  20 o 12.70252 5.997916 -6.882074      19.53431 -6.633914      27.14749 -7.148524      28.13009 14.39768 6.875803 14.52070 6.952017 -0.1230221     9.777894 
1 1 1 -34 2  21 o 21.79379 7.738477 37.75524       20.71145 40.71849       29.67830 34.94200       28.91734 20.96165 8.730487 20.01634 8.493087 0.9453068      12.18006 
1 1 1 -34 2  22 o 11.14159 5.502275 -29.02022      21.81399 -33.02000      36.33300 -26.76576      27.27748 13.98074 6.939136 12.68718 6.243924 1.293564       9.334784 
1 1 1 -34 2  23 o 27.07397 8.755137 64.21049       26.45456 63.11602       31.60854 66.77000       48.33740 24.83051 9.430265 22.16517 10.10009 2.665340       13.81817 
1 1 1 -34 2  24 o 22.67816 8.592002 46.87420       26.20069 66.27058       31.29041 1.370000       47.92660 25.54865 9.448271 17.14232 8.404124 8.406332       12.64512 
1 1 1 -34 2  25 o 15.92221 7.299519 9.477822       25.75438 7.741941       30.76897 13.54000       47.06872 16.25667 7.629802 17.80851 8.640753 -1.551842      11.52721 
1 1 1 -34 2  26 o 16.40037 7.468288 13.36009       26.37332 -72.72000      50.40499 45.80973       30.94761 14.10883 7.153383 21.32422 8.900961 -7.215395      11.41919 
1 1 1 -34 2  27 o 15.77599 7.461452 4.953762       30.46340 0.000000       0.000000 4.953762       30.46340 ?        ?        15.77599 7.461452 ?              ?        
1 1 1 -34 2  28 o 17.05380 7.543349 18.91562       24.82581 24.42000       40.42010 15.58138       31.45873 18.16027 8.590803 16.97266 7.882211 1.187614       11.65895 
1 1 1 -34 2  29 o 14.19616 6.613819 1.751962       22.42614 -28.40493      30.93189 35.17019       32.56153 13.09723 6.483320 19.21673 8.561551 -6.119501      10.73935 
1 1 1 -34 2  30 o 18.02554 7.788184 26.47387       25.13724 16.59340       31.27355 44.51000       42.25323 16.77093 7.812317 19.50882 9.085363 -2.737896      11.98233 
1 1 1 -34 2  31 o 22.76767 8.508361 50.67989       25.50036 60.25036       31.66497 33.02000       43.01365 22.88822 9.213307 18.23384 8.693142 4.654377       12.66711 
1 1 1 -34 2  32 o 11.74057 5.739345 -17.68054      21.87291 -30.89360      30.40668 -3.511408      31.48757 12.56184 6.253670 14.57883 7.072208 -2.016994      9.440578 
1 1 1 -34 2  33 o 16.98293 7.400025 23.27766       23.09086 6.584210       32.76225 39.75512       32.54961 15.38439 7.401193 18.87482 8.473438 -3.490422      11.25064 
1 1 1 -34 3  1  o 21.53125 7.161748 32.84504       17.64924 44.05323       25.64953 22.76630       24.32285 23.04847 8.548697 18.52036 7.820508 4.528105       11.58622 
1 1 1 -34 3  2  o 19.92570 7.070348 27.66793       17.28684 20.07556       24.83880 34.79978       24.07370 18.04886 7.769602 21.07711 8.172002 -3.028254      11.27601 
1 1 1 -34 3  3  f 19.68745 7.086983 26.97710       17.43223 32.48023       25.19710 21.92500       24.14248 20.45346 8.223751 18.34473 7.771028 2.108734       11.31455 
1 1 1 -34 3  4  o 21.70140 7.177785 33.48653       17.73487 10.23318       24.99230 57.07253       25.17043 16.44895 7.401264 26.58784 8.534778 -10.13889      11.29695 
1 1 1 -34 3  5  o 20.18518 7.190320 28.88349       17.89442 16.07166       25.36545 41.57699       25.24804 17.37071 7.656725 22.46022 8.450964 -5.089506      11.40369 
1 1 1 -34 3  6  o 28.84082 6.817862 55.79222       18.94124 43.08079       26.43862 69.19633       27.14943 22.56182 8.611250 29.07817 8.793234 -6.516346      12.30750 
1 1 1 -34 3  7  o 30.41075 6.734363 61.46708       19.51687 59.12593       27.51373 63.83817       27.68915 26.13430 8.941950 27.30220 8.965907 -1.167894      12.66278 
1 1 1 -34 3  8  o 15.41074 6.621025 10.74689       17.97105 30.37399       25.16419 -9.682339      25.67325 19.83117 8.127471 14.02676 6.695316 5.804406       10.53010 
1 1 1 -34 3  9  o 15.41908 6.610482 10.98150       17.84260 -2.062788      24.66746 25.29516       25.83983 14.63457 6.856679 18.80837 8.006261 -4.173796      10.54107 
1 1 1 -34 3  10 o 21.16364 7.307779 32.79935       18.38891 21.61542       25.69228 44.54643       26.33118 18.14994 7.857824 22.72625 8.612650 -4.576307      11.65861 
1 1 1 -34 3  11 o 11.76527 5.583466 -10.02974      17.33857 -9.347233      24.22262 -10.74687      24.82952 13.71298 6.533803 13.70378 6.552945 0.9202003E-02  9.253738 
1 1 1 -34 3  12 f 19.76160 7.255197 28.33164       18.39409 26.39804       25.37982 30.47107       26.69643 18.94111 7.992903 19.67032 8.242790 -0.7292061     11.48173 
1 1 1 -34 3  13 o 20.91343 7.388278 32.65278       18.85909 28.73073       25.33428 37.52745       28.24390 19.31711 8.057524 20.81171 8.578483 -1.494600      11.76920 
1 1 1 -34 3  14 o 12.36744 5.841938 -7.854055      18.56444 -35.99169      26.24212 20.33497       26.26607 11.90753 5.907916 17.79765 7.820099 -5.890121      9.800889 
1 1 1 -34 3  15 o 16.68842 6.972695 16.73038       19.01867 3.436899       26.48276 30.88821       27.33017 15.48091 7.203878 19.59271 8.282433 -4.111803      10.97700 
1 1 1 -34 3  16 o 15.82293 6.966044 11.29187       20.93631 -20.65758      26.17461 68.04000       34.88384 13.02816 6.348966 25.33604 9.833316 -12.30789      11.70485 
1 1 1 -34 3  17 o 14.81244 6.823926 2.730332       22.88987 -60.84000      43.68206 26.79332       26.87513 13.96275 7.028116 18.91046 8.110243 -4.947712      10.73175 
1 1 1 -34 3  18 o 14.06320 6.385831 3.005954       19.11228 1.010445       26.61897 5.129284       27.45827 15.18849 7.118303 15.78854 7.343082 -0.6000481     10.22698 
1 1 1 -34 3  19 o 9.173091 4.614654 -43.52147      18.69225 -28.09890      26.29701 -59.27164      26.57484 12.40741 6.110981 10.63561 5.369370 1.771802       8.134753 
1 1 1 -34 3  20 o 10.35258 5.122146 -29.24495      19.22026 -54.57508      26.83755 -2.573165      27.53912 10.93228 5.503529 14.87432 7.052465 -3.942039      8.945731 
1 1 1 -34 3  21 o 13.35245 6.227693 -2.628530      19.97295 -4.958905      27.46592 -0.1323016E-01 29.09658 14.59253 6.954171 15.34059 7.266367 -0.7480545     10.05786 
1 1 1 -34 3  22 o 15.26218 7.016777 5.921585       24.02947 -3.104407      28.25694 29.50000       45.67041 14.87314 7.078227 18.98283 9.023975 -4.109684      11.46880 
1 1 1 -34 3  23 o 11.81783 5.835537 -29.66418      24.51064 -12.40006      29.53256 -67.88000      43.93903 14.23995 6.893870 13.56156 6.853398 0.6783981      9.720828 
1 1 1 -34 3  24 o 19.80296 8.264888 33.62278       26.67740 25.64424       32.24540 50.93000       47.49194 18.42291 8.337204 20.65755 9.624284 -2.234636      12.73326 
1 1 1 -34 3  25 o 24.39669 8.757380 54.70445       26.59676 53.72142       32.02440 56.89000       47.75038 22.72796 9.223430 21.12382 9.775627 1.604147       13.44004 
1 1 1 -34 3  26 o 27.97045 9.706388 80.63799       32.45859 0.000000       0.000000 80.63799       32.45859 ?        ?        27.97045 9.706388 ?              ?        
1 1 1 -34 3  27 o 19.83803 8.628537 37.57350       31.27516 0.000000       0.000000 37.57350       31.27516 ?        ?        19.83803 8.628537 ?              ?        
1 1 1 -34 3  28 o 14.56094 6.912671 -1.895549      26.62291 -50.46000      52.72594 14.72319       30.84353 15.02519 7.582724 16.83160 7.812604 -1.806407      10.88735 
1 1 1 -34 3  29 o 14.01785 6.529233 1.360077       21.83611 3.436111       30.47029 -0.8317634     31.30861 15.46681 7.357766 15.17251 7.282609 0.2943058      10.35244 
1 1 1 -34 3  30 o 15.96116 7.247955 13.61028       24.62426 -3.091715      30.59800 44.31000       41.48357 14.78227 7.121920 19.49609 9.053178 -4.713825      11.51876 
1 1 1 -34 3  31 o 12.94337 6.260019 -10.93731      24.20140 -19.99470      29.88977 6.304000       41.23881 13.26070 6.528109 16.24206 7.927051 -2.981355      10.26910 
1 1 1 -34 3  32 o 15.29127 6.954109 12.18872       22.77291 25.22735       31.24600 -2.584694      33.25975 17.29509 7.969507 14.81014 7.203730 2.484958       10.74275 
1 1 1 -34 3  33 o 15.90409 7.115129 16.83976       22.73536 55.04696       31.02286 -27.48844      33.41561 21.45995 8.931079 13.14492 6.545870 8.315028       11.07306 
1 1 1 -34 4  1  o 37.18761 5.554366 83.46082       19.59931 81.06038       28.81452 85.52763       26.73714 31.61525 8.923593 34.02366 8.138051 -2.408409      12.07718 
1 1 1 -34 4  2  o 19.79650 7.122381 27.50179       17.60403 25.20989       25.55898 29.57037       24.28181 18.95609 8.011250 19.83936 8.038637 -0.8832684     11.34900 
1 1 1 -34 4  3  o 21.71901 7.191016 33.67564       17.79896 34.05197       25.72486 33.33004       24.65244 20.69042 8.312761 20.62138 8.186665 0.6904030E-01  11.66720 
1 1 1 -34 4  4  o 21.71362 7.217052 33.79138       17.92361 40.49342       25.64066 27.38701       25.06478 22.10381 8.469430 19.34526 8.037447 2.758547       11.67612 
1 1 1 -34 4  5  o 14.05182 6.266379 4.136054       17.48634 -3.333272      24.10485 12.43298       25.40518 14.43565 6.768141 16.76327 7.508786 -2.327621      10.10889 
1 1 1 -34 4  6  o 19.45495 7.202305 26.80763       18.19084 26.29942       25.11085 27.36886       26.38811 19.06575 7.992176 19.25911 8.139776 -0.1933575     11.40749 
1 1 1 -34 4  7  o 16.72898 6.837770 16.70389       17.75212 4.419972       24.53631 30.19719       25.71578 15.44841 7.097994 19.76663 8.170329 -4.318221      10.82293 
1 1 1 -34 4  8  o 19.10059 7.235065 25.87151       18.57611 18.56117       26.71824 32.71167       25.84472 17.71819 7.831946 20.22641 8.256827 -2.508213      11.38045 
1 1 1 -34 4  9  o 25.47894 7.292308 46.62500       19.10926 43.87859       26.86323 49.43839       27.18887 22.46678 8.653435 23.67723 8.797789 -1.210447      12.34030 
1 1 1 -34 4  10 o 17.37792 7.002302 19.36247       18.31075 1.342599       25.26848 39.28831       26.57123 15.14184 7.042948 21.49720 8.510488 -6.355360      11.04679 
1 1 1 -34 4  11 o 18.05462 7.083219 22.07521       18.25869 38.31609       25.00558 3.526401       26.72330 21.47244 8.327733 15.62813 7.260187 5.844310       11.04814 
1 1 1 -34 4  12 o 20.43498 7.374394 31.01740       18.88884 36.77631       25.83805 24.40671       27.68298 20.93252 8.357833 18.56189 8.095032 2.370634       11.63542 
1 1 1 -34 4  13 o 20.36606 7.363762 30.89865       18.84572 35.13428       25.70747 25.97791       27.70866 20.54552 8.290461 18.76744 8.142606 1.778082       11.62040 
1 1 1 -34 4  14 o 13.22898 6.098540 -1.193814      18.32578 -2.180969      24.54395 0.4983086E-01  27.54864 14.47635 6.800611 15.24546 7.175322 -0.7691183     9.886028 
1 1 1 -34 4  15 o 14.74549 6.595216 6.486027       19.52159 4.566665       26.40883 8.798313       28.98622 15.60190 7.237463 16.43748 7.610234 -0.8355827     10.50222 
1 1 1 -34 4  16 o 14.66675 6.593912 5.622455       19.79121 -24.62285      28.37378 34.28097       27.61945 13.20740 6.473231 20.22301 8.422482 -7.015611      10.62266 
1 1 1 -34 4  17 o 18.22408 7.314616 23.23332       19.89716 6.752979       27.74330 40.68816       28.55177 16.05810 7.438318 21.32866 8.689142 -5.270559      11.43808 
1 1 1 -34 4  18 o 17.02747 7.129423 18.34466       19.94656 -0.8539527     27.96789 38.21899       28.45582 15.15455 7.162071 20.72640 8.583380 -5.571850      11.17898 
1 1 1 -34 4  19 o 10.76154 5.286861 -24.52404      19.27753 -23.87947      26.72564 -25.22314      27.83317 12.81014 6.279329 12.95188 6.360848 -0.1417332     8.938141 
1 1 1 -34 4  20 o 16.99408 7.191947 18.19894       20.64530 -6.186252      28.44223 45.35540       30.01492 14.66306 7.012156 21.78506 8.896187 -7.121999      11.32751 
1 1 1 -34 4  21 o 14.99833 6.742750 7.541396       20.69275 13.83045       28.25925 0.2710449      30.38406 16.79701 7.680137 15.52138 7.373306 1.275628       10.64660 
1 1 1 -34 4  22 o 16.73195 7.467377 15.48086       24.88186 -0.2582480E-01 29.14714 57.14000       47.77401 15.30503 7.256318 21.26737 9.819398 -5.962337      12.20962 
1 1 1 -34 4  23 o 16.76863 7.436660 16.10073       24.28380 18.89993       28.84687 9.292000       44.98982 17.46032 7.895153 17.46976 8.469665 -0.9443283E-02 11.57880 
1 1 1 -34 4  24 o 18.55142 7.532811 25.93668       21.37462 6.011588       29.29506 48.61967       31.25679 15.91887 7.462827 21.97755 9.038144 -6.058685      11.72100 
1 1 1 -34 4  25 o 17.07511 7.485528 18.46914       23.94279 -10.72000      38.16884 37.40625       30.74364 15.50639 7.580549 20.06995 8.641824 -4.563561      11.49547 
1 1 1 -34 4  26 o 20.02409 8.680105 38.66399       31.43045 44.97000       41.44685 30.13000       48.21588 20.11462 9.235791 18.69944 8.991548 1.415186       12.88983 
1 1 1 -34 4  27 o 16.92705 7.840106 15.72268       30.81075 0.000000       0.000000 15.72268       30.81075 ?        ?        16.92705 7.840106 ?              ?        
1 1 1 -34 4  28 o 14.38259 6.842157 -3.039160      26.35271 -85.31000      49.39990 29.68592       31.15613 13.53622 6.885151 18.66976 8.342463 -5.133539      10.81675 
1 1 1 -34 4  29 o 14.99936 6.837554 8.264785       22.18131 15.28527       31.17523 1.066894       31.56665 16.68864 7.782670 15.32845 7.345593 1.360189       10.70176 
1 1 1 -34 4  30 o 11.73614 5.738025 -19.25986      21.88669 -29.00493      29.87395 -7.968451      32.15689 12.74913 6.321657 14.55888 7.081922 -1.809753      9.492995 
1 1 1 -34 4  31 o 13.26915 6.404587 -8.766743      25.01722 20.02992       30.35133 -69.79000      44.18291 16.85413 7.797609 13.02449 6.613416 3.829634       10.22448 
1 1 1 -34 4  32 o 20.50215 8.332952 43.31417       26.18625 16.54571       31.21530 106.9000       48.11006 16.28731 7.657007 24.12552 10.59258 -7.838207      13.07030 
1 1 1 -34 4  33 o 19.80045 7.921030 37.47150       23.25306 36.64386       31.60468 38.44828       34.33422 18.55532 8.338178 18.57417 8.482362 -0.1885033E-01 11.89435 
1 1 1 -34 5  1  o 33.58201 5.946873 70.25739       18.83263 58.61289       27.13987 81.07144       26.15419 26.13716 8.882269 32.93682 8.155852 -6.799656      12.05872 
1 1 1 -34 5  2  f 22.21383 7.229915 35.51951       18.02357 26.58543       26.50138 43.20807       24.58475 19.13587 8.125474 22.89281 8.390511 -3.756941      11.68007 
1 1 1 -34 5  3  o 25.97457 7.055346 46.92789       18.39880 60.61555       26.50685 34.20193       25.55870 26.88727 8.768984 20.64666 8.289089 6.240616       12.06665 
1 1 1 -34 5  4  o 27.40785 7.029507 51.83789       18.94778 28.85678       26.12479 77.34326       27.52220 19.52491 8.166027 31.05776 8.705346 -11.53284      11.93596 
1 1 1 -34 5  5  o 14.83053 6.484953 7.990812       17.86848 3.721185       24.99820 12.45120       25.55054 15.43346 7.117663 16.72058 7.506765 -1.287127      10.34469 
1 1 1 -34 5  6  o 24.08735 7.301169 41.97546       18.70214 22.98473       25.82548 62.91713       27.11959 18.40923 7.923549 27.15416 8.870651 -8.744934      11.89416 
1 1 1 -34 5  7  o 22.45650 7.401250 37.25092       18.86180 15.94974       26.19128 60.20038       27.18574 17.26523 7.686166 26.36448 8.890216 -9.099251      11.75215 
1 1 1 -34 5  8  o 22.92576 7.411763 38.80635       18.95986 40.94827       26.65469 36.61269       26.97476 21.84621 8.561933 20.89784 8.470798 0.9483700      12.04413 
1 1 1 -34 5  9  o 28.01981 7.018946 54.25407       19.20780 41.52508       26.65644 68.00075       27.70155 21.96182 8.575376 28.21563 8.942277 -6.253809      12.38957 
1 1 1 -34 5  10 o 12.72899 5.932961 -4.569757      18.07899 -6.133589      24.73145 -2.774997      26.49463 14.15882 6.704406 14.86793 7.009664 -0.7091141     9.699714 
1 1 1 -34 5  11 o 12.70499 5.935634 -4.924827      18.26712 -31.24316      24.72334 26.71605       27.10829 11.87774 5.864315 18.94648 8.135853 -7.068740      10.02907 
1 1 1 -34 5  12 o 14.90393 6.540421 8.471047       18.32080 17.54441       24.72320 -2.579951      27.28484 17.27937 7.589838 14.94892 7.067643 2.330449       10.37098 
1 1 1 -34 5  13 o 14.13836 6.456967 2.350844       19.89862 -12.75265      24.86520 29.25000       33.18354 13.41742 6.453087 19.20232 8.592928 -5.784904      10.74620 
1 1 1 -34 5  14 o 19.26227 7.871693 28.42583       23.52087 -3.196000      44.85172 40.42093       27.62405 16.94334 8.268810 21.36691 8.603813 -4.423576      11.93310 
1 1 1 -34 5  15 o 12.57012 5.894553 -5.754910      18.29789 6.278329       24.74664 -20.26905      27.17820 15.58222 7.147969 13.27548 6.469503 2.306733       9.640951 
1 1 1 -34 5  16 o 16.06115 6.861355 13.73353       19.09858 5.818389       25.85497 23.23917       28.33385 15.69182 7.237458 18.34088 8.088027 -2.649055      10.85343 
1 1 1 -34 5  17 o 16.88849 7.071665 17.56601       19.62650 9.699029       26.68833 26.83124       28.96313 16.26491 7.446923 18.84821 8.248690 -2.583302      11.11294 
1 1 1 -34 5  18 o 29.50717 7.510737 63.84064       21.74495 37.06669       30.25030 92.46746       31.27951 20.30135 8.652888 32.26800 9.358999 -11.96666      12.74611 
1 1 1 -34 5  19 o 16.25681 7.043209 14.51674       20.67098 3.270135       28.60222 26.81352       29.90782 15.63199 7.342822 18.69365 8.273582 -3.061666      11.06206 
1 1 1 -34 5  20 o 13.16562 6.193750 -5.046244      20.48750 -21.17401      28.35811 12.56209       29.63121 13.35651 6.530514 16.79230 7.746086 -3.435797      10.13161 
1 1 1 -34 5  21 o 22.43937 8.419113 44.53434       25.01966 43.94045       29.60102 46.02000       46.81790 21.44204 8.804292 20.31318 9.494159 1.128860       12.94815 
1 1 1 -34 5  22 o 14.97631 6.950487 3.392349       24.39912 -9.713489      28.50933 39.27000       47.17009 14.28431 6.880124 19.72433 9.315582 -5.440022      11.58085 
1 1 1 -34 5  23 o 22.56898 7.892359 41.66441       21.48201 24.03036       29.65430 61.13725       31.16206 18.16394 8.126070 24.45204 9.344920 -6.288099      12.38388 
1 1 1 -34 5  24 o 12.37345 5.924029 -11.14500      20.42682 -25.13711      28.32916 4.008065       29.48102 12.99155 6.387691 15.71406 7.404156 -2.722517      9.778758 
1 1 1 -34 5  25 o 14.14340 6.613935 -0.2577054     22.76964 -20.86000      35.19292 14.57582       29.86205 14.41329 7.093185 16.84095 7.771271 -2.427665      10.52169 
1 1 1 -34 5  26 o 14.74388 6.828988 4.068137       23.37684 -15.56000      37.07397 17.02259       30.11889 14.93145 7.334690 17.05806 7.847276 -2.126609      10.74139 
1 1 1 -34 5  27 o 40.32096 9.926222 150.4221       38.90936 129.1000       55.80078 170.6000       54.28291 26.56223 11.53960 33.00552 12.39732 -6.443287      16.93682 
1 1 1 -34 5  28 o 19.34115 8.207361 33.12866       27.00864 48.72000       50.33353 26.82413       32.00679 19.83153 9.440495 18.22968 8.272256 1.601858       12.55202 
1 1 1 -34 5  29 o 13.57999 6.582409 -11.39946      27.13593 43.26000       49.04554 -35.51353      32.57633 19.15222 9.172159 12.89951 6.429991 6.252711       11.20149 
1 1 1 -34 5  30 o 23.35170 8.265303 50.05334       23.61126 48.48837       32.35504 51.83622       34.53410 20.77611 8.904343 20.93265 9.086123 -0.1565361     12.72183 
1 1 1 -34 5  31 o 18.26977 7.902977 30.15106       25.94415 26.63426       31.30760 37.86000       46.35245 17.57490 8.053802 18.31141 8.807820 -0.7365189     11.93488 
1 1 1 -34 5  32 o 17.56618 7.719379 27.27165       25.60128 18.91650       30.83800 45.80000       45.92269 16.44958 7.693904 18.55799 8.884299 -2.108410      11.75274 
1 1 1 -34 5  33 o 15.38463 6.991502 13.89996       22.96671 25.09381       31.02998 0.3387300      34.15398 17.02950 7.880695 14.92046 7.266961 2.109038       10.71980 
1 1 1 -34 6  1  o 27.07328 6.835309 49.89621       18.11359 57.96275       26.87642 43.18293       24.51860 25.93327 8.838613 22.80093 8.375512 3.132343       12.17663 
1 1 1 -34 6  2  o 19.35607 7.119055 26.48595       17.72308 30.74275       25.50872 22.51345       24.64216 19.85980 8.165825 18.28992 7.803079 1.569883       11.29463 
1 1 1 -34 6  3  o 22.55493 7.324646 37.19570       18.50456 13.54838       25.42395 63.83518       26.98453 16.84603 7.531198 27.44684 8.839496 -10.60081      11.61274 
1 1 1 -34 6  4  o 22.55938 7.395041 37.52696       18.84013 37.44911       26.72094 37.60392       26.56764 21.11089 8.475463 21.16006 8.466153 -0.4916954E-01 11.97953 
1 1 1 -34 6  5  o 26.08395 7.204910 48.29601       19.00317 45.81173       26.53370 50.91218       27.22887 22.96215 8.658319 24.00493 8.824862 -1.042780      12.36304 
1 1 1 -34 6  6  o 37.69083 5.688062 87.12877       20.33222 93.22527       28.79752 81.06889       28.71089 34.63626 8.547142 31.30511 8.931678 3.331150       12.36238 
1 1 1 -34 6  7  o 28.34858 7.044954 55.59626       19.46303 35.22630       26.80345 78.31707       28.30788 20.62419 8.412600 30.75261 8.898563 -10.12843      12.24566 
1 1 1 -34 6  8  o 15.29749 6.615641 10.25350       18.17149 -7.360907      24.88310 30.38160       26.59940 14.05832 6.676635 19.68855 8.237551 -5.630230      10.60352 
1 1 1 -34 6  9  o 18.99471 7.251930 25.70904       18.75412 38.36195       25.50296 10.80952       27.67461 21.39102 8.377462 16.65022 7.608187 4.740797       11.31664 
1 1 1 -34 6  10 o 17.89012 7.089698 21.67403       18.45738 21.67923       24.88664 21.66768       27.51637 18.02474 7.768314 18.12137 7.981680 -0.9663200E-01 11.13795 
1 1 1 -34 6  11 o 23.20484 7.523871 40.67678       19.52924 41.19732       26.90534 40.09714       28.39157 21.67128 8.568739 21.24617 8.661279 0.4251022      12.18364 
1 1 1 -34 6  12 o 22.75111 7.868105 41.08556       21.32022 48.14212       27.10265 29.63000       34.53211 23.11167 8.742640 19.24643 8.676439 3.865240       12.31724 
1 1 1 -34 6  13 o 20.95198 8.138635 36.22326       23.91159 57.56000       45.45412 28.05925       28.11648 21.92702 9.913139 19.06019 8.236009 2.866827       12.88806 
1 1 1 -34 6  14 o 15.88081 6.791146 13.16373       18.74371 35.21161       25.61293 -12.25841      27.50311 20.52582 8.277795 14.01622 6.752669 6.509604       10.68272 
1 1 1 -34 6  15 o 11.49787 5.532067 -14.47854      18.31592 -21.52419      24.79975 -6.023580      27.16706 12.62809 6.159730 14.56135 6.932821 -1.933264      9.273957 
1 1 1 -34 6  16 o 15.98475 6.866121 13.31766       19.31814 13.53499       26.28025 13.06217       28.49375 16.76358 7.562047 16.90558 7.723002 -0.1420002     10.80876 
1 1 1 -34 6  17 o 30.01760 7.300570 64.45936       21.24134 48.43716       28.90568 83.26836       31.31879 22.63719 8.902849 29.91180 9.511600 -7.274616      13.02810 
1 1 1 -34 6  18 o 13.22292 6.174677 -3.175261      19.72988 -3.673855      26.31297 -2.534930      29.81936 14.52955 6.890362 15.20232 7.245109 -0.6727705     9.998434 
1 1 1 -34 6  19 o 23.35666 7.824573 43.44402       21.06110 59.60641       29.30593 26.18009       30.28813 24.90380 9.155272 18.60302 8.274584 6.300783       12.34049 
1 1 1 -34 6  20 o 11.96154 5.880523 -26.01618      23.98498 -17.39855      28.47169 -47.08000      44.51313 13.64394 6.642931 14.46133 7.253819 -0.8173952     9.835976 
1 1 1 -34 6  21 o 15.11205 6.981972 4.713849       24.21071 14.68978       28.60682 -20.47000      45.45210 16.89503 7.725813 15.77734 7.818706 1.117690       10.99183 
1 1 1 -34 6  22 o 14.21427 6.521814 2.763298       20.61553 -16.92656      28.19638 25.37782       30.21800 13.60750 6.621932 18.37816 8.213773 -4.770663      10.55064 
1 1 1 -34 6  23 o 15.12159 6.802454 8.249797       21.09819 -3.141679      29.18161 20.72598       30.53937 14.96115 7.140445 17.72848 8.058810 -2.767330      10.76710 
1 1 1 -34 6  24 o 26.42890 8.283376 58.23396       23.83200 30.98000       37.47755 76.73650       30.87962 18.97781 8.738823 28.03976 9.474952 -9.061954      12.88960 
1 1 1 -34 6  25 f 17.11942 7.447260 19.57034       23.30569 1.797000       37.16912 31.08492       29.91726 16.16971 7.805092 18.97049 8.340335 -2.800785      11.42281 
1 1 1 -34 6  26 o 15.11452 6.822672 8.764283       21.43351 -30.60655      29.86704 50.56942       30.77654 12.82360 6.351941 22.05956 9.008322 -9.235958      11.02257 
1 1 1 -34 6  27 o 15.19092 7.030629 6.179086       24.70683 -20.01000      39.23114 23.39381       31.80686 14.90368 7.363642 17.85943 8.159096 -2.955754      10.99064 
1 1 1 -34 6  28 o 16.38994 7.810760 9.394191       34.64945 -45.76000      50.81014 57.34000       47.37361 14.85611 7.490734 20.52119 9.577866 -5.665085      12.15922 
1 1 1 -34 6  29 o 18.20330 8.045136 28.34794       28.18216 11.35000       50.96745 35.83379       33.82326 17.15603 8.460830 18.98940 8.571338 -1.833364      12.04381 
1 1 1 -34 6  30 o 14.03432 6.588038 1.453063       22.95916 -50.21278      31.19104 62.54957       33.91847 11.78856 5.934410 22.62971 9.371306 -10.84115      11.09228 
1 1 1 -34 6  31 o 13.87744 6.549933 0.7909402      23.25034 -12.86761      31.67898 16.73876       34.23100 13.89944 6.818050 16.49823 7.834124 -2.598794      10.38553 
1 1 1 -34 6  32 o 15.34836 7.123646 11.88993       25.63672 -7.990984      30.83514 56.40000       46.13780 14.00695 6.840186 19.29003 9.140916 -5.283078      11.41685 
1 1 1 -34 6  33 f 26.91492 9.639764 86.77367       32.20693 94.34000       42.98567 77.09000       48.62969 23.40315 10.14794 20.34908 9.563571 3.054077       13.94427 
1 1 1 -34 7  1  o 32.68077 6.252082 68.43147       19.27123 60.84676       28.25760 75.02650       26.34961 26.12791 9.057068 30.87519 8.466646 -4.747272      12.39817 
1 1 1 -34 7  2  o 16.78286 6.888958 16.97264       18.11525 10.29735       25.97139 23.29738       25.28026 16.41321 7.449417 18.41491 7.881137 -2.001701      10.84464 
1 1 1 -34 7  3  o 18.56092 7.143342 23.93464       18.29531 46.77118       26.32205 2.591079       25.44708 23.22559 8.651311 15.32110 7.106256 7.904492       11.19572 
1 1 1 -34 7  4  o 20.11685 7.291608 29.48527       18.49287 60.93295       26.21016 -1.689002      26.09597 26.91304 8.715544 14.92279 7.010966 11.99025       11.18545 
1 1 1 -34 7  5  o 16.49849 6.878846 15.66604       18.45274 15.51997       25.87590 15.81719       26.32206 17.15261 7.637659 17.23559 7.687072 -0.8298302E-01 10.83628 
1 1 1 -34 7  6  o 14.49824 6.417493 6.347139       17.99914 -2.452991      25.24423 15.44689       25.67038 14.66988 6.893234 17.11559 7.615073 -2.445708      10.27161 
1 1 1 -34 7  7  o 13.00820 6.003315 -2.163541      17.82759 -8.665395      24.60550 5.021378       25.86572 13.85118 6.595596 15.67384 7.232668 -1.822660      9.788431 
1 1 1 -34 7  8  o 14.15114 6.363017 4.052696       18.43687 11.95059       24.72373 -5.841147      27.67201 16.44463 7.383475 14.71759 7.004307 1.727035       10.17723 
1 1 1 -34 7  9  o 26.99320 7.323867 52.51042       19.83900 44.59309       27.05528 61.71883       29.17797 22.40342 8.669551 25.80104 9.182544 -3.397621      12.62855 
1 1 1 -34 7  10 o 29.89262 7.463886 64.48405       21.77123 53.46732       27.15207 84.32000       36.43369 24.39869 8.836488 28.05326 10.22489 -3.654570      13.51413 
1 1 1 -34 7  11 o 38.26280 7.327539 102.3887       26.44460 22.70000       46.38669 140.7579       32.18741 18.75234 8.964275 44.29290 7.703707 -25.54056      11.81970 
1 1 1 -34 7  12 o 11.17610 5.409878 -16.89077      18.17129 -5.289841      24.57232 -30.89127      26.99427 14.11935 6.684856 12.42099 6.131632 1.698363       9.071064 
1 1 1 -34 7  13 o 19.62124 7.421430 28.75096       19.52866 26.86429       27.07863 30.79572       28.19029 18.86030 8.115556 19.50658 8.334715 -0.6462860     11.63313 
1 1 1 -34 7  14 o 12.97181 6.049596 -3.925188      18.83992 4.254751       25.65352 -13.50232      27.75809 15.45271 7.156078 13.96456 6.741738 1.488152       9.831606 
1 1 1 -34 7  15 o 27.23978 7.471689 54.40578       20.51748 52.56954       27.87164 56.57796       30.31422 23.95256 8.906142 24.19576 9.224234 -0.2431984     12.82208 
1 1 1 -34 7  16 o 16.43448 7.050216 15.37421       20.31893 15.66435       27.65840 15.03403       29.94865 17.09452 7.730175 17.18425 7.875638 -0.8973122E-01 11.03546 
1 1 1 -34 7  17 o 16.82030 7.143556 17.50466       20.48976 24.16049       27.92705 9.744580       30.15481 18.26683 8.043566 16.51154 7.684700 1.755293       11.12446 
1 1 1 -34 7  18 o 13.31418 6.232658 -3.535035      20.30804 -1.130189      27.26812 -6.530194      30.43137 14.95603 7.069349 14.92615 7.168403 0.2988338E-01  10.06785 
1 1 1 -34 7  19 o 23.18192 8.392776 46.76796       24.49086 37.19563       28.11424 76.89000       49.87232 20.42136 8.500736 23.03794 10.40255 -2.616577      13.43412 
1 1 1 -34 7  20 o 13.50515 6.410663 -6.451887      22.88277 -0.9946883E-01 26.77951 -23.64000      44.05013 14.92955 7.041322 15.46260 7.668747 -0.5330563     10.41105 
1 1 1 -34 7  21 o 13.55680 6.304133 -1.251415      20.22559 0.7060071      27.44823 -3.576888      29.91766 15.11419 7.128495 15.04935 7.195488 0.6484127E-01  10.12870 
1 1 1 -34 7  22 o 18.69732 7.582273 26.72734       21.62392 28.90702       30.76949 24.60031       30.39561 18.82512 8.358637 18.22933 8.185596 0.5957909      11.69918 
1 1 1 -34 7  23 o 13.09847 6.272323 -10.04938      22.92288 -43.13000      36.40221 11.68789       29.50825 13.40159 6.698273 16.54511 7.666472 -3.143523      10.18046 
1 1 1 -34 7  24 o 20.21348 8.069271 35.02126       24.08031 15.08000       38.10418 48.28075       31.07132 17.37853 8.255967 21.76497 8.987116 -4.386444      12.20366 
1 1 1 -34 7  25 o 15.80093 7.004710 12.87058       21.52354 6.661242       30.11521 19.35424       30.77324 15.88827 7.485354 17.35258 7.964113 -1.464315      10.92967 
1 1 1 -34 7  26 o 11.30768 5.554994 -23.72569      21.27724 -17.39020      29.26890 -30.82613      30.98554 13.60866 6.649677 13.00703 6.447552 0.6016321      9.262241 
1 1 1 -34 7  27 o 10.60137 5.270447 -32.92857      21.29894 -43.46561      28.95852 -20.51123      31.43630 11.85973 5.934593 13.74653 6.752909 -1.886804      8.990059 
1 1 1 -34 7  28 o 21.06074 8.657187 45.07596       28.66052 75.12000       54.60314 33.65094       33.67185 21.11458 9.987323 18.80092 8.512819 2.313662       13.12306 
1 1 1 -34 7  29 o 18.37761 8.096111 30.05486       28.32382 15.00000       52.46750 36.24659       33.64792 17.29531 8.539815 18.95787 8.553837 -1.662567      12.08704 
1 1 1 -34 7  30 o 14.61393 6.999363 0.7421636E-01  28.57509 62.02000       49.01726 -31.81480      35.16930 20.01847 9.467018 13.32555 6.648445 6.692922       11.56833 
1 1 1 -34 7  31 o 12.34769 5.987721 -12.04711      22.51810 -8.191595      30.65247 -16.56724      33.18941 14.03468 6.846338 13.78814 6.805101 0.2465458      9.653069 
1 1 1 -34 7  32 o 15.01025 7.010770 9.176213       25.45644 -7.013890      30.41338 47.06000       46.52288 14.03300 6.839789 18.56627 8.902588 -4.533272      11.22670 
1 1 1 -34 8  1  o 50.10292 4.572705 143.0739       22.17860 105.3719       31.07407 182.2231       31.66483 36.46375 8.806326 53.72466 6.131017 -17.26091      10.73037 
1 1 1 -34 8  2  o 51.33182 4.470938 149.2481       22.24032 95.52567       30.94625 206.6361       31.98458 33.89897 9.125627 58.08223 5.699185 -24.18325      10.75908 
1 1 1 -34 8  3  o 32.70950 6.525590 70.11304       20.16017 30.41857       28.73913 108.5705       28.28779 19.60821 8.397674 39.06561 7.671622 -19.45740      11.37430 
1 1 1 -34 8  4  o 31.05116 6.731504 64.49488       19.86845 82.34258       28.68897 48.04508       27.54255 31.58027 8.900799 23.18829 8.803726 8.391979       12.51918 
1 1 1 -34 8  5  o 22.08847 7.417819 36.39349       18.92726 68.60771       27.11143 5.765041       26.43572 28.53423 8.817937 15.82191 7.304893 12.71232       11.45065 
1 1 1 -34 8  6  o 17.28379 6.987560 19.28965       18.30083 7.253152       24.87683 33.48745       27.01814 15.77139 7.209173 20.14948 8.355832 -4.378090      11.03595 
1 1 1 -34 8  7  o 13.80956 6.299873 1.557373       18.87496 5.706282       25.92021 -3.126207      27.53979 15.69380 7.241308 14.93339 7.072257 0.7604036      10.12193 
1 1 1 -34 8  8  o 14.04012 6.347004 3.393517       18.62897 5.164824       24.98501 1.176041       27.95517 15.46768 7.127087 15.43935 7.254523 0.2832413E-01  10.16973 
1 1 1 -34 8  9  o 20.98250 7.742110 34.55556       20.98931 50.74836       26.95241 9.602000       33.45823 23.74795 8.771319 16.94125 7.952731 6.806704       11.83985 
1 1 1 -34 8  10 o 16.75459 7.380439 15.34004       23.53274 -15.24000      44.18029 27.45277       27.80549 16.12713 7.938732 18.92891 8.184827 -2.801775      11.40241 
1 1 1 -34 8  11 o 23.70129 7.527036 42.52347       19.61839 45.58789       26.74196 38.95214       28.86917 22.58223 8.650241 20.89361 8.648404 1.688622       12.23199 
1 1 1 -34 8  12 o 20.63807 7.475591 32.35511       19.43369 36.38322       26.79798 27.88681       28.22422 20.62129 8.411619 19.01464 8.234045 1.606653       11.77093 
1 1 1 -34 8  13 o 20.69800 7.472984 32.47179       19.40020 39.84736       26.55667 24.03149       28.40893 21.39089 8.495413 18.43220 8.114663 2.958691       11.74818 
1 1 1 -34 8  14 o 17.93668 7.279875 22.15731       19.95271 11.35706       26.85815 35.45877       29.80636 16.50567 7.524111 20.21719 8.602146 -3.711515      11.42844 
1 1 1 -34 8  15 f 12.91551 6.105716 -7.039754      20.35443 23.50318       28.39964 -39.30096      29.18755 18.25263 8.071100 12.34317 6.141893 5.909461       10.14226 
1 1 1 -34 8  16 o 16.24957 7.014279 14.71908       20.35217 26.31208       27.80873 1.347458       29.86587 18.59325 8.110970 15.58126 7.374871 3.011986       10.96251 
1 1 1 -34 8  17 o 17.99492 7.384106 23.05147       20.80439 5.362356       28.01751 44.79237       31.06100 15.76196 7.359601 21.45587 8.933555 -5.693913      11.57463 
1 1 1 -34 8  18 o 13.89318 6.566457 -4.522858      23.51807 22.24358       27.00881 -88.46000      47.82855 17.92706 7.901452 13.44003 6.830127 4.487028       10.44431 
1 1 1 -34 8  19 o 16.12197 7.252290 12.19502       23.97907 7.838098       28.05730 24.00000       46.18370 15.99268 7.432832 18.51704 8.876623 -2.524359      11.57763 
1 1 1 -34 8  20 o 13.11420 6.150339 -3.983010      19.92933 -1.479860      27.39146 -6.798518      29.05028 14.86536 7.043909 14.61240 7.014101 0.2529583      9.940536 
1 1 1 -34 8  21 o 12.24216 5.884457 -12.79078      20.60753 -14.95463      29.04168 -10.59633      29.24631 13.90190 6.754974 14.29921 6.907432 -0.3973150     9.661382 
1 1 1 -34 8  22 f 13.89635 6.530758 -2.432817      22.67434 -43.67000      35.55165 25.84308       29.43903 13.22715 6.612362 18.36727 8.164452 -5.140122      10.50626 
1 1 1 -34 8  23 o 15.75663 7.109164 10.77503       23.23948 -2.365000      35.42760 20.69973       30.78948 15.76932 7.613856 17.66777 8.054671 -1.898449      11.08371 
1 1 1 -34 8  24 o 11.09224 5.465876 -26.01628      21.12375 -8.477711      29.47040 -44.54833      30.29359 14.38861 6.946485 12.10965 6.061155 2.278961       9.219070 
1 1 1 -34 8  25 o 13.83787 6.453530 -0.1565032E-01 21.44024 -10.74257      30.02716 11.14180       30.62381 14.25788 6.914106 16.37699 7.662286 -2.119103      10.32063 
1 1 1 -34 8  26 o 13.85092 6.467970 -0.2092247     21.64919 4.514423       29.74932 -5.526860      31.56440 15.59808 7.376165 14.90444 7.193914 0.6936436      10.30341 
1 1 1 -34 8  27 o 20.29888 7.926013 35.90404       22.77214 44.00534       31.21592 26.68834       33.29375 20.58923 8.783187 18.07751 8.292017 2.511711       12.07899 
1 1 1 -34 8  28 o 15.43714 7.005365 11.14933       22.95694 34.87601       32.23185 -13.27960      32.70536 18.93241 8.470719 14.25809 6.980177 4.674322       10.97615 
1 1 1 -34 8  29 o 15.73733 7.325463 11.30527       27.41751 25.98000       49.18802 4.690758       33.02350 17.69436 8.640541 15.55308 7.468963 2.141286       11.42122 
1 1 1 -34 8  30 o 17.30909 7.845765 24.90589       28.69420 -15.57000      52.93002 41.75232       34.14741 15.64694 7.857039 19.20631 8.645823 -3.559372      11.68261 
1 1 1 -34 8  31 o 11.99969 5.947562 -25.83147      26.33904 10.44488       31.59970 -108.4000      47.67365 15.57792 7.433589 12.19440 6.248336 3.383518       9.710816 
1 1 1 -34 8  32 o 12.13148 5.972940 -19.58264      25.04766 -32.48533      29.89534 10.81000       45.88256 12.20502 6.095621 16.13099 7.968819 -3.925973      10.03288 
1 1 1 -34 9  1  o 31.21456 6.774233 65.69028       20.10220 51.81386       28.86986 78.74994       28.00735 23.58861 8.999615 30.78506 8.833860 -7.196455      12.61072 
1 1 1 -34 9  2  o 42.13425 5.288705 106.4436       21.33247 95.98249       30.94936 115.9119       29.44423 33.78025 9.140077 40.06183 7.789261 -6.281578      12.00890 
1 1 1 -34 9  3  o 49.98352 4.633461 143.4278       22.41129 91.27530       31.60260 196.1904       31.78689 32.12466 9.432734 56.10521 5.875152 -23.98055      11.11278 
1 1 1 -34 9  4  o 21.26328 7.387765 33.90824       18.80629 25.74282       26.93539 41.67482       26.26933 18.70715 8.072211 21.85731 8.519105 -3.150158      11.73609 
1 1 1 -34 9  5  o 27.05644 7.185259 52.15102       19.34728 74.39590       27.78780 31.22161       26.95364 29.62836 8.881931 19.65397 8.262105 9.974386       12.13058 
1 1 1 -34 9  6  o 17.60845 7.170409 20.77103       19.43295 13.18175       26.56805 29.50296       28.49803 16.72711 7.568958 19.28445 8.312060 -2.557343      11.24186 
1 1 1 -34 9  7  f 15.03574 6.723395 7.572945       20.27456 -4.350327      25.59401 27.66000       33.21993 14.40841 6.821919 18.95971 8.531825 -4.551301      10.92386 
1 1 1 -34 9  8  o 13.26710 6.346040 -10.54403      23.32403 30.87000       41.07583 -30.25134      28.33520 19.32921 8.986893 12.75373 6.293297 6.575486       10.97132 
1 1 1 -34 9  9  o 11.05636 5.390841 -20.48035      18.93936 -14.38914      26.20224 -27.14456      27.40694 13.53898 6.539673 12.77157 6.280191 0.7674074      9.066870 
1 1 1 -34 9  10 o 19.57628 7.467649 28.80778       19.87565 40.79848       27.18715 15.04193       29.13016 21.44608 8.569779 17.17184 7.830904 4.274235       11.60880 
1 1 1 -34 9  11 o 23.85272 7.615510 43.46210       20.06054 16.28057       27.21967 75.77824       29.67944 17.21137 7.735875 28.99379 9.263745 -11.78242      12.06900 
1 1 1 -34 9  12 o 18.98214 7.399852 26.42203       19.82310 32.15733       26.92500 19.63374       29.29261 19.80470 8.287097 17.81366 8.014255 1.991039       11.52841 
1 1 1 -34 9  13 o 27.46687 7.657662 56.47063       21.35737 54.66111       28.94514 58.63314       31.64256 24.08983 9.051899 24.22504 9.375409 -0.1352100     13.03208 
1 1 1 -34 9  14 o 14.05727 6.435855 2.176340       19.93033 0.3256283      26.93717 4.414928       29.62576 15.09248 7.100807 15.90838 7.472778 -0.8159046     10.30844 
1 1 1 -34 9  15 o 12.74838 6.040180 -7.589527      20.13165 -3.073120      27.43506 -12.85846      29.63267 14.76563 7.012005 14.24052 6.896867 0.5251169      9.835395 
1 1 1 -34 9  16 o 20.86918 7.790400 35.11306       21.36667 28.17911       28.54478 43.94881       32.22243 18.85246 8.220940 21.14421 8.968219 -2.291752      12.16605 
1 1 1 -34 9  17 o 12.06173 5.931149 -26.32748      24.44546 -27.07401      28.41251 -24.20000      47.96441 12.91829 6.360554 15.88385 7.898700 -2.965551      10.14131 
1 1 1 -34 9  18 o 21.08581 8.315597 39.11907       25.27951 44.78635       29.75640 24.42000       47.92235 21.52396 8.831488 18.56986 8.938156 2.954102       12.56526 
1 1 1 -34 9  19 o 15.83802 6.965508 12.63655       20.88325 12.35844       28.77525 12.94604       30.35476 16.58008 7.642873 16.77960 7.775310 -0.1995201     10.90270 
1 1 1 -34 9  20 o 12.72012 6.056358 -8.760424      20.73518 -19.29967      29.20835 1.947371       29.44097 13.59159 6.641650 15.49313 7.329905 -1.901534      9.891361 
1 1 1 -34 9  21 o 15.90504 7.120989 11.93865       22.81961 -16.92000      36.28686 30.81762       29.34949 14.85806 7.290076 19.09568 8.331349 -4.237619      11.07053 
1 1 1 -34 9  22 o 12.44652 6.039505 -16.71432      23.00508 -11.28000      35.59814 -20.61140      30.14564 15.13368 7.381472 13.63485 6.680566 1.498832       9.955707 
1 1 1 -34 9  23 o 17.44564 7.392563 21.55503       21.86006 18.80523       30.37306 24.51014       31.48658 17.30278 7.930438 18.04192 8.194038 -0.7391453     11.40325 
1 1 1 -34 9  24 o 23.48092 8.048023 46.91815       22.28992 38.71853       30.76388 55.97980       32.34060 19.98188 8.624572 22.65977 9.241588 -2.677896      12.64081 
1 1 1 -34 9  25 o 15.58860 6.966100 11.72791       21.72732 -12.21895      29.36901 40.68012       32.29282 14.01460 6.805855 20.11057 8.757170 -6.095969      11.09088 
1 1 1 -34 9  26 o 12.11799 5.871700 -15.25198      21.54373 -28.68835      29.47392 0.1621794      31.56871 12.82552 6.345190 15.34990 7.353197 -2.524381      9.712411 
1 1 1 -34 9  27 o 18.48407 7.660153 28.28543       22.68570 25.94238       31.76045 30.72596       32.41439 17.84844 8.153720 18.43015 8.347906 -0.5817070     11.66922 
1 1 1 -34 9  28 o 16.11602 7.168690 16.07509       22.73571 16.61037       31.75866 15.51236       32.56272 16.66034 7.797485 16.58544 7.804445 0.7489204E-01  11.03223 
1 1 1 -34 9  29 o 15.43615 7.235978 9.428904       27.53228 5.453000       49.86531 11.17250       33.02198 16.47327 8.168121 16.01461 7.629996 0.4586620      11.17743 
1 1 1 -34 9  30 o 16.63949 7.606685 20.85043       27.70424 -54.08000      49.74529 54.54035       33.35591 13.95899 7.080512 20.89348 8.999005 -6.934491      11.45058 
1 1 1 -34 9  31 o 17.98988 7.897050 30.84237       26.72765 -10.57000      43.25533 56.41925       33.99369 15.01365 7.471733 20.86888 9.036762 -5.855227      11.72561 
1 1 1 -34 10 1  o 33.29234 6.438152 72.74499       20.22140 27.71695       29.35091 113.4285       27.89905 18.94785 8.297718 40.24129 7.353802 -21.29344      11.08740 
1 1 1 -34 10 2  o 28.54299 7.062418 57.13788       19.62259 34.66829       28.36093 77.77202       27.17792 20.12841 8.469099 30.80675 8.656352 -10.67834      12.11025 
1 1 1 -34 10 3  o 42.50494 5.232478 108.2771       21.31080 45.80040       30.37173 168.8671       29.90964 21.93097 8.951509 51.66024 6.028071 -29.72927      10.79200 
1 1 1 -34 10 4  o 34.74019 6.185834 77.59127       20.26351 72.67769       29.18567 82.16424       28.15591 28.35280 9.198161 31.47701 8.798538 -3.124207      12.72873 
1 1 1 -34 10 5  o 24.35363 7.628315 45.33858       20.21481 87.17808       28.56932 3.389086       28.60685 32.63494 8.760648 15.71994 7.371192 16.91500       11.44917 
1 1 1 -34 10 6  o 25.02051 8.035482 50.05138       22.30968 18.18655       28.01401 105.3000       36.88758 17.50610 7.859802 32.32339 10.32759 -14.81729      12.97827 
1 1 1 -34 10 7  o 17.02175 7.451438 16.93514       23.64959 -6.955000      43.33134 27.07077       28.22397 16.52085 8.076583 18.84871 8.197554 -2.327868      11.50787 
1 1 1 -34 10 8  o 17.74710 7.232459 21.47924       19.78907 38.03188       27.37810 3.370335       28.63622 20.84536 8.502494 15.72536 7.374131 5.119994       11.25479 
1 1 1 -34 10 9  o 23.95558 7.699708 44.31132       20.48124 39.82118       27.64245 49.77679       30.49721 21.18994 8.580155 22.70251 9.074927 -1.512569      12.48893 
1 1 1 -34 10 10 o 11.40140 5.522505 -17.28635      19.01393 -10.04524      25.79393 -25.90353      28.13827 13.86712 6.643904 13.02734 6.397449 0.8397799      9.223276 
1 1 1 -34 10 11 f 19.19199 7.464106 27.41189       20.13140 43.30914       28.03309 10.48323       28.92819 21.83634 8.709968 16.58883 7.652733 5.247513       11.59430 
1 1 1 -34 10 12 o 12.89123 6.085966 -6.752498      20.09601 25.94675       27.62753 -43.49271      29.28492 18.63988 8.108559 12.12782 6.053352 6.512056       10.11888 
1 1 1 -34 10 13 o 17.54877 7.303754 20.93790       20.74919 31.98569       28.41455 8.316697       30.37059 19.51888 8.354559 16.37464 7.651175 3.144245       11.32869 
1 1 1 -34 10 14 o 17.52646 7.331154 20.99146       21.06010 36.73656       28.94357 3.276221       30.70103 20.23963 8.537977 15.84523 7.493094 4.394403       11.35973 
1 1 1 -34 10 15 o 13.96120 6.609167 -4.664251      24.00505 1.298646       27.49704 -23.77000      49.21975 15.21822 7.164392 16.00148 7.964465 -0.7832527     10.71267 
1 1 1 -34 10 16 o 16.54134 7.386284 14.47594       24.37886 -2.924248      28.07605 67.80000       49.14967 14.86245 7.068131 22.16975 10.13364 -7.307305      12.35513 
1 1 1 -34 10 17 o 17.34009 7.567811 19.78894       24.23311 35.02892       28.18452 -23.42000      47.45754 19.91219 8.413863 15.78732 7.851720 4.124873       11.50837 
1 1 1 -34 10 18 o 12.05153 5.835998 -16.17769      21.20105 -22.33621      30.28064 -10.25563      29.69361 13.56225 6.655345 14.39361 6.954751 -0.8313589     9.626120 
1 1 1 -34 10 19 o 12.17357 5.870407 -14.14065      20.90198 -31.03833      29.81841 2.183388       29.30792 12.88498 6.375971 15.48850 7.323417 -2.603516      9.710069 
1 1 1 -34 10 20 o 21.18851 8.245928 39.47081       24.58206 21.20000       38.96750 51.54780       31.68129 18.00303 8.491790 22.31220 9.128968 -4.309170      12.46790 
1 1 1 -34 10 21 f 21.20124 8.238636 39.55486       24.51014 17.14000       38.78183 54.46230       31.62729 17.61903 8.358292 22.83668 9.202456 -5.217653      12.43166 
1 1 1 -34 10 22 o 21.81493 7.987086 40.44906       22.26845 63.22598       31.52010 17.75221       31.46465 24.45994 9.385789 17.24959 7.965977 7.210348       12.31056 
1 1 1 -34 10 23 o 14.12812 6.542294 2.213280       21.43699 1.787242       29.46427 2.692438       31.24719 15.28594 7.261283 15.58003 7.422716 -0.2940941     10.38378 
1 1 1 -34 10 24 o 14.21028 6.572829 2.826797       21.54616 -2.405065      29.50480 8.804765       31.53852 14.86476 7.117575 16.16483 7.629246 -1.300072      10.43385 
1 1 1 -34 10 25 o 21.26171 8.053369 39.62683       23.01524 42.58669       31.53461 36.25317       33.66684 20.45329 8.778802 19.36283 8.660703 1.090452       12.33187 
1 1 1 -34 10 26 o 19.55043 7.805805 32.92905       22.53704 40.18529       31.26522 25.08066       32.51595 19.86124 8.633020 17.79007 8.172864 2.071171       11.88801 
1 1 1 -34 10 27 o 25.85360 8.140635 57.72200       22.99160 51.03515       31.53849 65.30630       33.58828 21.38190 8.959543 23.39007 9.462727 -2.008165      13.03137 
1 1 1 -34 10 28 o 13.87141 6.511214 1.160906       22.42162 -30.75510      30.84086 36.94160       32.65476 12.71156 6.323267 18.88884 8.482826 -6.177277      10.58027 
1 1 1 -34 10 29 o 13.10917 6.397004 -13.10696      26.82508 9.802000       48.32541 -23.30956      32.24989 16.47944 8.147790 13.27301 6.579116 3.206430       10.47240 
1 1 1 -34 10 30 o 15.11495 7.131207 9.137631       27.51050 18.61000       49.60694 4.930551       33.06005 16.69068 8.252758 15.16456 7.329982 1.526122       11.03796 
1 1 1 -34 10 31 o 16.19748 7.725446 17.90473       34.04248 0.1351000      49.76768 33.53000       46.66831 15.70838 7.848309 17.36964 8.467552 -1.661261      11.54536 
1 1 1 -34 11 1  o 24.96935 7.400816 46.19739       19.37836 17.22616       28.36676 71.54807       26.53512 17.39310 7.850302 29.37616 8.648209 -11.98307      11.67984 
1 1 1 -34 11 2  o 38.79116 5.639783 92.80630       20.78736 69.80036       29.94433 114.2060       28.88006 27.28256 9.328732 39.80697 7.690331 -12.52441      12.08993 
1 1 1 -34 11 3  o 17.56120 7.116695 20.75023       19.03498 51.55602       28.12472 -5.288185      25.85707 23.56334 8.907656 14.34378 6.810429 9.219553       11.21286 
1 1 1 -34 11 4  o 15.52203 6.922079 9.576805       21.33776 -12.73186      27.25674 44.89000       34.29301 13.89053 6.699687 21.28378 9.145284 -7.393241      11.33675 
1 1 1 -34 11 5  o 12.70336 6.217056 -23.33681      25.88280 -3.854000      43.89696 -33.72000      32.04602 16.75900 8.179173 13.28727 6.581252 3.471728       10.49818 
1 1 1 -34 11 6  o 29.90987 7.240541 63.43457       20.96824 90.53437       30.23519 38.32416       29.10426 32.56921 9.122644 20.72820 8.640423 11.84101       12.56501 
1 1 1 -34 11 7  o 20.25004 7.573101 31.47659       20.20992 3.053647       28.01256 62.33029       29.18582 15.61496 7.313051 25.78751 9.183141 -10.17255      11.73928 
1 1 1 -34 11 8  o 30.47302 7.271423 65.88265       21.38588 65.59943       29.94991 66.17728       30.54733 26.28194 9.308263 26.19690 9.387465 0.8504677E-01  13.21999 
1 1 1 -34 11 9  o 48.58531 5.013268 139.2721       23.49947 83.48120       31.67658 207.5577       35.04460 29.88580 9.572612 56.35612 6.470143 -26.47032      11.55412 
1 1 1 -34 11 10 o 19.17391 7.593926 27.82074       21.16439 -14.78676      29.32841 74.11892       30.57225 14.09368 6.834175 28.02062 9.427622 -13.92694      11.64414 
1 1 1 -34 11 11 o 22.70152 7.881816 41.63582       21.40386 20.84779       28.80439 67.26646       31.98392 17.80239 7.983174 25.69033 9.542800 -7.887945      12.44171 
1 1 1 -34 11 12 o 24.28306 7.925647 47.48613       21.65152 61.86218       29.82634 31.47147       31.48031 25.12907 9.236521 19.26246 8.508527 5.866608       12.55820 
1 1 1 -34 11 13 o 25.05582 7.957793 50.48684       21.92774 62.51855       30.26685 37.19548       31.81182 25.08918 9.289886 20.06113 8.714136 5.028053       12.73727 
1 1 1 -34 11 14 o 18.75069 7.957915 27.38958       25.39788 37.70625       29.38359 -3.089000      50.50477 20.35158 8.594821 17.09004 8.427155 3.261543       12.03694 
1 1 1 -34 11 15 o 20.48167 8.249073 36.36449       25.39884 26.17696       29.39603 66.37000       50.44925 18.47710 8.188857 21.81652 10.07921 -3.339422      12.98645 
1 1 1 -34 11 16 f 19.35551 8.059444 31.05957       25.28188 56.56192       29.39719 -41.38000      49.54543 23.91328 9.091476 15.19034 7.624150 8.722939       11.86518 
1 1 1 -34 11 17 o 16.23048 7.099954 14.66581       21.43714 -2.404726      30.29332 31.78914       30.34013 15.16215 7.246998 19.21564 8.425101 -4.053493      11.11311 
1 1 1 -34 11 18 o 19.93341 7.721070 32.04230       21.47450 38.42067       31.04369 26.18940       29.73746 20.19208 8.689035 18.40467 8.191919 1.787405       11.94181 
1 1 1 -34 11 19 o 16.59828 7.399698 15.61400       24.36393 -2.759000      38.30296 28.09945       31.57507 16.02195 7.778754 18.61997 8.353392 -2.598024      11.41438 
1 1 1 -34 11 20 o 32.78563 8.182397 84.56901       26.17355 60.51000       41.16090 100.9011       33.91301 22.04487 9.733750 32.19331 9.846553 -10.14844      13.84560 
1 1 1 -34 11 21 f 17.33727 7.397790 20.91265       22.15492 -1.578981      31.20158 43.78368       31.46365 15.26233 7.310998 20.84498 8.852484 -5.582645      11.48117 
1 1 1 -34 11 22 o 15.54694 6.943883 11.59095       21.55933 -4.727232      30.32001 28.27918       30.66186 14.78592 7.114991 18.42680 8.251888 -3.640882      10.89572 
1 1 1 -34 11 23 o 28.22533 7.966873 64.03081       22.96703 89.58944       32.31058 37.92807       32.65268 29.83654 9.677953 19.63249 8.669029 10.20405       12.99288 
1 1 1 -34 11 24 o 26.85633 8.141314 60.06892       23.25306 51.84814       32.18193 69.04926       33.63580 21.86705 9.098111 24.65420 9.631028 -2.787149      13.24886 
1 1 1 -34 11 25 o 15.08964 6.853056 9.061414       22.02259 22.03354       30.20010 -5.670781      32.18374 17.42455 7.956580 14.82921 7.183319 2.595344       10.71948 
1 1 1 -34 11 26 o 14.49156 6.699343 5.248156       22.33960 -4.774868      30.28438 17.21236       33.08729 14.54909 7.028337 16.82279 7.900725 -2.273700      10.57445 
1 1 1 -34 11 27 o 18.23343 7.611734 28.15037       22.63584 12.50710       31.30110 45.29993       32.77346 16.11435 7.603919 20.06657 8.778381 -3.952225      11.61377 
1 1 1 -34 11 28 o 12.63554 6.090770 -9.332685      22.44747 -18.88524      31.27759 0.8136882      32.23508 13.42864 6.623622 14.98194 7.240791 -1.553292      9.813330 
1 1 1 -34 11 29 o 17.21762 7.773636 25.87701       27.84178 -11.32000      50.34046 42.26920       33.41809 15.44121 7.740887 19.02724 8.560148 -3.586031      11.54112 
1 1 1 -34 11 30 o 15.31642 7.200402 10.84341       27.60059 13.56000       50.25580 9.670139       33.02732 16.47153 8.172937 15.56302 7.472606 0.9085121      11.07415 
1 1 1 -34 12 1  o 30.30183 7.057656 63.92127       20.54198 4.881011       28.68513 126.0706       29.43071 15.90326 7.432530 42.47403 7.344646 -26.57077      10.44923 
1 1 1 -34 12 2  o 20.95228 7.410652 33.22016       18.97795 10.71722       27.43646 53.86404       26.27872 16.45308 7.539624 24.66894 8.720795 -8.215860      11.52815 
1 1 1 -34 12 3  o 17.91311 7.414306 22.16088       21.21639 0.8781891      27.01882 56.39000       34.26501 15.21580 7.143962 23.17497 9.489326 -7.959169      11.87786 
1 1 1 -34 12 4  o 26.69263 8.426089 59.00547       24.61769 43.91000       46.17808 64.99892       29.09720 20.44414 9.513199 26.43796 9.189182 -5.993820      13.22656 
1 1 1 -34 12 5  o 13.90485 6.354302 1.861001       19.31023 -11.60663      27.30238 15.34128       27.31520 13.99942 6.740372 17.04720 7.697944 -3.047781      10.23186 
1 1 1 -34 12 6  o 19.40363 7.541044 28.51387       20.53716 31.93712       29.48623 25.28859       28.62095 19.57724 8.446717 18.54572 8.155472 1.031523       11.74133 
1 1 1 -34 12 7  o 30.67593 7.307095 67.12288       21.62593 43.53498       29.88638 93.04816       31.33217 21.53007 8.844205 32.48059 9.350717 -10.95052      12.87074 
1 1 1 -34 12 8  o 16.51687 7.063641 16.01715       20.28065 4.549596       28.51521 27.75560       28.85006 15.76307 7.381113 18.84240 8.239677 -3.079329      11.06224 
1 1 1 -34 12 9  o 13.63178 6.324489 -0.8437915     20.17764 10.91859       28.54594 -12.58897      28.52505 16.46066 7.596607 14.05947 6.798954 2.401182       10.19481 
1 1 1 -34 12 10 o 22.98825 7.975330 43.46003       21.91282 73.61345       30.27784 10.29555       31.75362 27.71572 9.382096 16.64887 7.793656 11.06684       12.19692 
1 1 1 -34 12 11 o 35.36480 6.960043 86.34050       23.23462 38.05985       31.45529 144.3140       34.46846 20.19247 8.718237 43.01188 8.488571 -22.81940      12.16813 
1 1 1 -34 12 12 o 14.09773 6.514850 1.267510       21.09733 20.69245       28.36332 -22.79050      31.56509 17.68290 7.926304 13.79517 6.774776 3.887726       10.42707 
1 1 1 -34 12 13 o 19.17830 7.986361 29.65472       24.82862 36.34894       28.96944 11.13000       48.19102 20.12231 8.517745 17.73592 8.636846 2.386387       12.13042 
1 1 1 -34 12 14 o 15.79305 7.219903 9.408933       24.96033 14.37284       29.04676 -4.604000      48.80342 16.82663 7.728165 16.80700 8.286903 0.1963043E-01  11.33125 
1 1 1 -34 12 15 o 13.47453 6.529584 -14.30925      26.65722 -1.347485      31.74009 -45.34000      49.11025 15.43443 7.388178 14.96825 7.523293 0.4661741      10.54443 
1 1 1 -34 12 16 o 20.75198 7.912850 35.93235       22.31024 53.79568       32.27200 19.57986       30.87709 22.60211 9.226595 17.53989 8.022899 5.062214       12.22689 
1 1 1 -34 12 17 o 19.72455 7.805190 31.76962       22.34025 11.27646       32.09475 51.03165       31.11577 16.66575 7.812433 22.30315 9.076599 -5.637402      11.97576 
1 1 1 -34 12 18 o 14.36695 6.726905 0.2356294      23.67752 -18.41000      37.65620 12.42787       30.45018 14.89727 7.332512 16.63326 7.734883 -1.735991      10.65806 
1 1 1 -34 12 19 o 19.71821 8.040317 33.01313       24.47360 16.46000       38.74577 44.00157       31.56837 17.50943 8.320175 20.93123 8.877260 -3.421803      12.16680 
1 1 1 -34 12 20 o 12.33000 5.940852 -12.96132      21.29965 -39.83162      29.84336 14.93742       30.40911 12.27993 6.126386 16.83389 7.794121 -4.553961      9.913673 
1 1 1 -34 12 21 o 13.23121 6.257696 -4.636187      21.42419 -12.15654      30.11522 3.069956       30.48494 14.12569 6.867147 15.50121 7.369968 -1.375516      10.07344 
1 1 1 -34 12 22 o 21.51834 8.034399 40.53888       22.72842 15.15112       31.61594 67.69249       32.69698 16.79744 7.834761 24.65965 9.533923 -7.862213      12.34015 
1 1 1 -34 12 23 o 16.71612 7.302415 18.21271       22.60961 16.66295       31.15926 19.93605       32.85794 16.93883 7.858973 17.37388 8.064096 -0.4350471     11.26024 
1 1 1 -34 12 24 o 21.05537 8.036093 39.45937       23.02448 45.75122       32.02782 32.72992       33.12286 20.69279 8.863721 18.75701 8.472819 1.935780       12.26190 
1 1 1 -34 12 25 o 17.09703 7.361821 21.59240       22.31132 7.899523       30.47729 37.40477       32.75122 15.72115 7.443719 19.16800 8.560038 -3.446849      11.34386 
1 1 1 -34 12 26 o 16.20104 7.176060 17.07557       22.54288 19.14440       30.99590 14.75249       32.84531 16.81729 7.814819 16.43768 7.766382 0.3796024      11.01763 
1 1 1 -34 12 27 o 12.00689 5.834929 -14.20685      21.68795 7.739282       30.57527 -36.43114      30.76842 15.45585 7.357614 12.31263 6.154628 3.143223       9.592389 
1 1 1 -34 12 28 o 14.11094 6.599940 4.348344       22.69027 41.52455       32.06148 -32.95529      32.11638 19.12008 8.508439 12.63050 6.309634 6.489574       10.59269 
1 1 1 -34 12 29 o 16.65141 7.623617 22.29566       27.96659 53.04000       51.56564 9.483973       33.28748 18.52161 9.000012 15.52662 7.467224 2.994982       11.69443 
1 1 1 -34 13 1  o 15.90284 7.034944 12.06670       21.59732 10.95457       28.48711 13.57000       33.12027 16.48696 7.601588 17.16973 8.011916 -0.6827774     11.04423 
1 1 1 -34 13 2  o 19.31863 9.143192 32.80000       45.88999 32.80000       45.88999 0.000000       0.000000 19.31863 9.143192 ?        ?        ?              ?        
1 1 1 -34 13 3  o 24.24380 7.723007 45.95634       20.64009 7.116961       28.95956 86.05421       29.42500 16.07723 7.498693 31.55433 9.054693 -15.47710      11.75661 
1 1 1 -34 13 4  f 16.26927 6.966845 15.17211       19.77566 -32.76728      27.10286 69.75320       28.91945 12.23885 6.060264 27.44861 9.168405 -15.20976      10.99029 
1 1 1 -34 13 5  o 17.03121 7.114984 18.85658       19.79893 48.26154       28.01319 -10.49270      27.98666 22.62407 8.803177 14.13628 6.810831 8.487786       11.13029 
1 1 1 -34 13 6  o 16.07061 6.915040 14.37251       19.65918 -7.813530      27.20051 38.63655       28.44584 14.22737 6.818137 20.59887 8.560693 -6.371507      10.94406 
1 1 1 -34 13 7  o 17.05621 7.163852 19.04514       20.23677 -0.5762111E-01 28.58611 38.23641       28.65225 15.19985 7.200482 20.47660 8.557115 -5.276753      11.18352 
1 1 1 -34 13 8  o 15.59393 6.894450 11.32356       20.71543 -13.52705      29.55479 35.32255       29.04396 14.11777 6.849290 19.91022 8.482146 -5.792448      10.90227 
1 1 1 -34 13 9  o 19.54892 7.692131 30.30677       21.58780 11.17618       29.61820 51.98819       31.53104 16.52536 7.665423 22.53703 9.149842 -6.011675      11.93643 
1 1 1 -34 13 10 f 12.94008 6.140420 -7.449933      20.96055 -15.15402      28.66577 1.401839       30.72685 13.83127 6.718455 15.62209 7.419312 -1.790820      10.00919 
1 1 1 -34 13 11 o 14.37457 6.790939 -2.480527      25.10122 8.152886       28.72787 -36.80000      51.61041 16.09008 7.492626 15.60739 7.826146 0.4826889      10.83457 
1 1 1 -34 13 12 o 13.83140 6.592017 -6.534147      24.69072 -13.71860      28.82926 13.24000       47.82838 13.94298 6.764537 17.75654 8.637259 -3.813567      10.97092 
1 1 1 -34 13 13 o 12.08453 5.956156 -27.35554      25.12989 -59.88486      29.35196 61.95000       48.63387 11.19671 5.651464 21.38599 9.885926 -10.18928      11.38730 
1 1 1 -34 13 14 o 12.80718 6.115029 -9.270061      21.44994 -35.99459      30.24773 17.76439       30.42261 12.63609 6.281805 17.27527 7.924919 -4.639176      10.11264 
1 1 1 -34 13 15 o 14.70803 6.737581 5.047772       21.88388 -9.749246      31.50739 18.83951       30.41829 14.67356 7.107808 17.40462 7.961796 -2.731062      10.67292 
1 1 1 -34 13 16 o 32.00636 8.300323 82.13559       26.22009 59.43000       43.20587 95.37271       32.98931 21.61322 9.727609 31.33255 9.734363 -9.719336      13.76169 
1 1 1 -34 13 17 o 27.39193 8.665985 65.82332       26.02631 49.04000       43.43855 75.22235       32.50708 20.46864 9.419086 26.74324 9.671015 -6.274603      13.49992 
1 1 1 -34 13 18 o 16.83851 7.456355 17.52738       24.32180 25.39000       39.35428 12.66833       30.93742 18.27851 8.594480 16.65319 7.761735 1.625315       11.58057 
1 1 1 -34 13 19 o 13.09863 6.217492 -6.170116      21.52107 -23.56817      30.26563 11.62383       30.60804 13.34651 6.570093 16.42953 7.678200 -3.083017      10.10549 
1 1 1 -34 13 20 o 16.75519 7.252172 18.58547       21.87342 -11.01508      30.52963 49.80665       31.35424 14.26097 6.928622 21.64120 8.990253 -7.380231      11.35035 
1 1 1 -34 13 21 o 13.04163 6.210638 -6.788000      21.82656 -40.86179      30.52166 28.87477       31.22521 12.28368 6.138601 18.40072 8.276724 -6.117043      10.30469 
1 1 1 -34 13 22 o 23.31062 8.191141 47.90252       23.15742 23.39098       31.86375 75.34268       33.71358 17.71495 8.120605 25.79386 9.752234 -8.078913      12.69056 
1 1 1 -34 13 23 o 15.61244 6.995727 12.42680       22.07287 22.19885       30.77817 2.078576       31.67254 17.44859 7.991989 15.41358 7.378766 2.035008       10.87741 
1 1 1 -34 13 24 o 19.26169 7.775953 32.37515       22.62705 11.67729       31.01464 55.92789       33.08451 16.12625 7.597116 21.86612 9.170409 -5.739874      11.90851 
1 1 1 -34 13 25 o 14.90917 6.815228 8.966017       22.23425 -4.422897      30.57427 23.99462       32.39238 14.51721 7.024802 17.37882 8.045672 -2.861619      10.68086 
1 1 1 -34 13 26 o 14.03805 6.548099 3.512233       22.08962 -30.56349      29.95000 44.16065       32.71117 12.49906 6.219817 19.68440 8.685020 -7.185342      10.68250 
1 1 1 -34 13 27 o 12.33354 5.979313 -11.60673      22.41727 -4.330734      30.98237 -19.60115      32.47596 14.31812 6.961751 13.45534 6.657451 0.8627892      9.632632 
1 1 1 -34 13 28 o 14.41906 6.706012 7.395189       22.89864 24.79901       32.39105 -9.992555      32.37609 16.89160 7.895627 13.94830 6.852243 2.943299       10.45438 
1 1 1 -34 13 29 o 12.70253 6.361677 -32.61683      33.60387 30.26000       50.10749 -84.01000      45.30124 17.01244 8.389853 12.37700 6.321880 4.635440       10.50504 
1 1 1 -34 14 1  o 18.46489 7.728451 25.92347       23.42633 -13.50000      45.67936 39.99238       27.28807 16.12341 7.962493 20.94306 8.508564 -4.819645      11.65319 
1 1 1 -34 14 2  o 23.17117 8.113861 45.19345       22.70945 43.86000       36.43669 46.04045       29.03960 20.59467 9.122665 21.85396 8.813889 -1.259295      12.68494 
1 1 1 -34 14 3  o 16.60372 7.349067 15.62906       23.60089 14.82677       28.05780 17.57000       43.64085 16.83024 7.679073 17.93449 8.605642 -1.104250      11.53366 
1 1 1 -34 14 4  o 15.47350 7.060868 8.111256       23.73107 -3.823969      27.87034 39.58000       45.25501 14.69290 7.002892 19.71045 9.251535 -5.017551      11.60308 
1 1 1 -34 14 5  o 11.21245 5.462869 -19.38586      19.34729 -32.96938      27.00659 -5.064726      27.73016 12.16500 6.028261 14.55071 6.948972 -2.385711      9.199355 
1 1 1 -34 14 6  f 22.07534 7.767858 39.36205       20.83102 30.06585       29.16941 49.03749       29.75846 19.03956 8.306327 22.31231 8.948895 -3.272758      12.20974 
1 1 1 -34 14 7  o 30.83296 7.234863 68.10896       21.45675 58.05805       30.43010 78.04747       30.25948 23.98835 9.217664 28.74790 9.368719 -4.759542      13.14299 
1 1 1 -34 14 8  o 14.16443 6.506830 2.587884       20.60614 -13.04819      28.31716 20.18714       30.04227 13.92696 6.744297 17.63623 8.007464 -3.709271      10.46924 
1 1 1 -34 14 9  o 17.20275 7.276326 19.87959       21.11368 36.06946       28.68054 0.7248278      31.19636 19.99596 8.470207 15.56371 7.415426 4.432253       11.25757 
1 1 1 -34 14 10 o 17.43124 7.702824 20.39941       25.82611 12.11807       29.73675 45.82000       52.09980 16.56449 7.682599 19.88504 9.504256 -3.320547      12.22101 
1 1 1 -34 14 11 o 27.18649 8.937424 67.54774       27.51060 45.91021       32.45333 122.8000       51.85976 21.15796 8.988218 27.46338 11.49710 -6.305422      14.59354 
1 1 1 -34 14 12 o 13.45210 6.473428 -10.81496      25.10466 0.4611291      29.42247 -41.00000      48.13885 15.26804 7.253743 14.99643 7.525197 0.2716122      10.45205 
1 1 1 -34 14 13 o 14.18045 6.582074 1.334965       21.89310 -38.64694      31.59396 38.26833       30.36559 12.73552 6.345695 20.13950 8.628765 -7.403978      10.71090 
1 1 1 -34 14 14 o 12.07193 5.858298 -16.77683      21.65892 -27.98152      31.76681 -7.043471      29.60772 13.39060 6.617925 14.58128 7.020183 -1.190675      9.647793 
1 1 1 -34 14 15 o 19.87195 8.129609 34.26623       25.12097 46.40000       42.20974 27.61129       31.25986 20.24572 9.304955 18.47293 8.297564 1.772789       12.46723 
1 1 1 -34 14 16 o 24.33346 8.564174 53.61948       25.32181 25.38000       40.51753 71.71786       32.43653 18.28176 8.634107 25.93437 9.614464 -7.652617      12.92230 
1 1 1 -34 14 17 o 11.79485 5.767018 -20.87476      22.11662 -12.40841      32.08177 -28.54242      30.53105 14.47195 7.047292 13.09148 6.473352 1.380467       9.569149 
1 1 1 -34 14 18 o 18.35251 7.643105 26.71980       22.74288 -4.477969      32.53669 56.52543       31.80247 15.07003 7.281219 22.78891 9.211974 -7.718886      11.74209 
1 1 1 -34 14 19 o 15.06082 6.877944 8.017478       22.57458 30.34075       32.55232 -12.66493      31.33311 18.55770 8.389565 14.23027 6.937379 4.327425       10.88632 
1 1 1 -34 14 20 o 14.10192 6.571486 1.616148       22.16108 0.5738330      31.16273 2.682590       31.52133 15.26986 7.312421 15.49918 7.403808 -0.2293253     10.40615 
1 1 1 -34 14 21 o 14.15156 6.586932 1.953455       22.16279 -6.543306      31.02181 10.81136       31.67422 14.65078 7.086199 16.29851 7.678023 -1.647733      10.44827 
1 1 1 -34 14 22 o 16.79152 7.311146 19.45182       22.50381 6.431079       31.04097 33.87688       32.67202 15.71143 7.460412 18.83481 8.469618 -3.123381      11.28681 
1 1 1 -34 14 23 o 15.52825 6.996305 12.59368       22.41688 16.45180       31.11219 8.428330       32.32722 16.60064 7.752586 15.87808 7.560545 0.7225676      10.82887 
1 1 1 -34 14 24 o 29.76071 8.027906 73.23273       23.91958 68.79967       33.47250 77.85893       34.19382 23.76879 9.505229 25.23687 9.751690 -1.468079      13.61781 
1 1 1 -34 14 25 o 17.37119 7.464725 24.65823       22.85106 0.4337349      31.41258 51.88573       33.30275 14.87157 7.177691 20.68570 8.950957 -5.814127      11.47340 
1 1 1 -34 14 26 o 16.23958 7.230054 19.04978       23.17903 34.21331       31.99215 2.294606       33.62929 18.16322 8.253226 15.07830 7.313155 3.084920       11.02715 
1 1 1 -34 14 27 o 20.85972 8.084482 43.66323       23.55369 35.03159       32.57134 53.12477       34.10120 17.98778 8.232402 20.12874 8.874904 -2.140963      12.10522 
1 1 1 -34 14 28 o 26.38679 8.255393 64.92696       23.68205 55.93546       33.51381 73.89456       33.46921 20.50238 8.924575 23.46916 9.463342 -2.966780      13.00780 
1 1 1 -34 15 1  o 24.88212 7.670677 48.38903       20.53047 15.28501       28.42738 84.48001       29.68218 16.88022 7.712402 30.66440 9.176717 -13.78417      11.98721 
1 1 1 -34 15 2  o 20.99438 7.628481 35.25443       20.25784 13.18053       28.09691 59.15243       29.23478 16.58529 7.611204 24.51439 9.120125 -7.929108      11.87885 
1 1 1 -34 15 3  o 18.01905 7.296622 23.65220       19.99208 0.2830982      27.44967 50.05186       29.17530 15.01325 7.095330 22.55410 8.921286 -7.540844      11.39882 
1 1 1 -34 15 4  o 19.15702 7.768887 29.36867       22.70208 20.07000       36.96297 35.00096       28.76730 17.82716 8.365519 19.78277 8.435186 -1.955618      11.87999 
1 1 1 -34 15 5  o 16.92250 7.490477 17.59364       24.52038 20.18676       28.99962 11.09000       45.92609 17.52098 7.919934 17.49121 8.498010 0.2976990E-01  11.61643 
1 1 1 -34 15 6  o 17.78179 7.370731 22.84131       21.01025 24.27384       30.03057 21.46782       29.40525 18.08322 8.126801 17.69098 7.987992 0.3922348      11.39530 
1 1 1 -34 15 7  o 18.66389 7.496486 26.82707       20.91463 1.983903       28.44885 56.04593       30.85268 15.28594 7.223936 23.26455 9.182959 -7.978603      11.68383 
1 1 1 -34 15 8  o 17.26376 7.599399 19.81976       24.90907 33.02590       29.39825 -13.79000      46.89929 19.34757 8.390786 16.09074 7.968372 3.256828       11.57153 
1 1 1 -34 15 9  o 24.32907 8.625829 53.96029       25.72521 65.94421       31.03948 27.67000       45.97402 25.26711 9.397938 18.57417 8.891297 6.692944       12.93740 
1 1 1 -34 15 10 f 18.61545 7.940132 27.73839       25.50495 38.53512       30.10406 0.2770000      48.01093 20.17650 8.616752 16.90238 8.311578 3.274122       11.97208 
1 1 1 -34 15 11 o 22.82323 8.129137 44.71160       22.87171 17.56846       32.13163 72.58956       32.56366 17.28827 8.007057 26.13194 9.643119 -8.843668      12.53406 
1 1 1 -34 15 12 o 14.10136 6.555326 1.041187       21.84314 -15.40081      31.38531 16.48639       30.41907 14.16742 6.914718 17.04392 7.857213 -2.876504      10.46657 
1 1 1 -34 15 13 o 14.10365 6.553930 1.184904       21.80205 2.050742       31.84711 0.4212157      29.90954 15.65498 7.468221 15.27242 7.272204 0.3825579      10.42398 
1 1 1 -34 15 14 o 18.99618 7.952313 29.91173       24.81015 6.214000       41.65907 42.93659       30.88465 16.81224 8.150706 20.74605 8.788874 -3.933807      11.98659 
1 1 1 -34 15 15 o 20.88280 8.264933 39.33011       25.05350 33.23000       42.38031 42.60712       31.06236 18.90125 8.897086 20.62918 8.779623 -1.727934      12.49960 
1 1 1 -34 15 16 o 16.10623 7.128462 14.67570       22.20214 3.594054       31.76527 25.26001       31.04430 15.68738 7.476694 18.00027 8.159723 -2.312891      11.06716 
1 1 1 -34 15 17 o 15.39842 6.968084 10.39612       22.52058 0.2243618      32.41940 19.88212       31.30751 15.39561 7.395159 17.26880 7.964559 -1.873191      10.86842 
1 1 1 -34 15 18 o 12.59957 6.075296 -11.97540      22.37458 -27.98058      32.02539 3.286494       31.27291 13.28169 6.578601 15.52177 7.403541 -2.240077      9.904060 
1 1 1 -34 15 19 o 31.52702 7.883560 77.94157       24.26242 54.51126       34.49310 100.8868       34.13420 21.69809 9.243732 31.22332 9.930072 -9.525225      13.56661 
1 1 1 -34 15 20 o 14.49318 6.701677 4.463148       22.37458 2.592033       31.30432 6.417342       31.99174 15.43930 7.376046 15.85915 7.542933 -0.4198523     10.54997 
1 1 1 -34 15 21 o 18.12253 7.588458 26.81141       22.60021 26.13554       31.37002 27.54077       32.58779 17.79785 8.120226 17.95904 8.224963 -0.1611843     11.55803 
1 1 1 -34 15 22 o 14.44146 6.730983 4.338805       23.26741 -26.38554      33.10197 34.34289       32.71167 13.37834 6.637256 18.64397 8.421072 -5.265635      10.72230 
1 1 1 -34 15 23 o 20.67118 8.055918 40.22253       23.48839 36.53117       33.07851 43.97663       33.35847 18.75033 8.468724 19.70468 8.728606 -0.9543457     12.16174 
1 1 1 -34 15 24 o 26.34230 8.289503 62.82762       23.84364 24.56673       33.23660 103.3983       34.22511 17.18491 8.021302 30.31776 9.968706 -13.13286      12.79517 
1 1 1 -34 15 25 o 18.42895 7.706337 31.42712       23.26032 9.753184       32.59676 53.91299       33.20171 15.57737 7.464770 20.65982 8.938563 -5.082451      11.64563 
1 1 1 -34 15 26 o 17.66944 7.557878 28.47828       23.22539 10.48927       32.30159 47.73248       33.41820 15.45571 7.412931 19.45679 8.670658 -4.001080      11.40754 
1 1 1 -34 15 27 o 14.55673 6.750591 9.118082       22.94897 -10.76389      31.37981 31.97852       33.64828 13.68438 6.727248 17.46672 8.125330 -3.782342      10.54878 
1 1 1 -34 16 1  o 16.68118 7.057312 17.91441       19.86922 18.06661       28.06442 17.76144       28.13436 17.13975 7.765090 17.10246 7.758752 0.3729057E-01  10.97701 
1 1 1 -34 16 2  o 20.80291 7.606614 34.84945       20.18740 48.18289       28.54488 21.50776       28.55371 22.18210 8.808318 17.62773 7.923082 4.554365       11.84743 
1 1 1 -34 16 3  o 14.31268 6.502207 4.997937       19.84428 4.966072       28.15594 5.029390       27.97304 15.54715 7.297385 15.53194 7.284962 0.1521778E-01  10.31128 
1 1 1 -34 16 4  o 23.37347 7.736588 44.04185       20.60260 39.64964       28.72704 48.69370       29.56394 20.49681 8.567116 22.05997 8.894475 -1.563162      12.34938 
1 1 1 -34 16 5  o 14.50265 6.693944 3.517192       22.17654 -1.485000      35.02151 6.865562       28.65309 15.72448 7.586727 15.80751 7.400958 -0.8302975E-01 10.59871 
1 1 1 -34 16 6  o 14.94667 6.941230 4.217771       24.39462 5.604151       28.83654 0.7285000      45.74770 15.68802 7.370304 16.76360 8.216888 -1.075583      11.03805 
1 1 1 -34 16 7  o 16.07503 7.296465 12.16855       24.92143 -8.816177      29.31446 66.87000       47.32925 14.36642 6.933873 21.84241 9.968837 -7.475986      12.14316 
1 1 1 -34 16 8  o 17.30237 7.601396 20.30414       24.80936 24.37638       29.57356 10.63000       45.58197 18.01807 8.083758 17.34572 8.436185 0.6723557      11.68402 
1 1 1 -34 16 9  o 13.56033 6.489882 -7.960733      24.46645 17.03751       29.18433 -67.08000      44.88068 17.01757 7.789969 13.56495 6.863356 3.452623       10.38216 
1 1 1 -34 16 10 o 13.85690 6.459606 -0.6883579E-01 21.44337 -13.26341      30.57143 12.70955       30.08541 14.17501 6.897444 16.55011 7.693564 -2.375098      10.33275 
1 1 1 -34 16 11 o 18.25977 7.567143 25.67510       22.13792 10.70614       31.80562 39.74214       30.83255 16.46196 7.735960 20.19987 8.675450 -3.737913      11.62362 
1 1 1 -34 16 12 o 15.23933 6.996618 7.450934       23.77846 16.59000       38.59486 1.859445       30.18856 17.40248 8.279218 15.41335 7.329867 1.989130       11.05768 
1 1 1 -34 16 13 o 14.80533 6.876420 4.120422       23.95234 37.61000       40.59781 -13.76141      29.66565 19.29734 8.959214 13.95785 6.792390 5.339493       11.24296 
1 1 1 -34 16 14 o 19.77686 8.112621 34.76183       25.10138 -8.594000      40.98370 60.78892       31.75412 15.67076 7.700631 23.59481 9.315266 -7.924052      12.08610 
1 1 1 -34 16 15 o 16.21277 7.183622 15.58694       22.60868 11.13355       32.61080 19.70846       31.37218 16.38559 7.740817 17.22564 7.954683 -0.8400478     11.09942 
1 1 1 -34 16 16 o 12.46323 6.018143 -12.70839      22.14642 -28.21430      32.08986 1.393517       30.60259 13.26494 6.572943 15.25523 7.289416 -1.990282      9.815251 
1 1 1 -34 16 17 f 21.24105 8.091722 40.59585       23.31638 37.38932       33.56400 43.58655       32.41471 19.30583 8.640441 20.27804 8.802431 -0.9722099     12.33451 
1 1 1 -34 16 18 o 14.05905 6.585957 0.6931631      22.74236 -10.93287      32.47636 11.88046       31.85767 14.46790 7.055338 16.36643 7.706995 -1.898528      10.44871 
1 1 1 -34 16 19 o 18.54105 7.721290 28.71434       23.20911 -4.923055      32.32254 64.51717       33.34670 14.86078 7.198658 23.50920 9.457766 -8.648419      11.88571 
1 1 1 -34 16 20 o 14.83739 6.824909 7.709645       22.77305 -13.91367      31.96823 29.98833       32.44907 14.02616 6.873800 18.14552 8.271097 -4.119357      10.75454 
1 1 1 -34 16 21 o 14.09898 6.626020 1.782553       23.34115 -20.35399      33.40838 22.89225       32.62432 13.74668 6.792591 17.22768 8.009590 -3.480998      10.50204 
1 1 1 -34 16 22 o 10.83794 5.388590 -30.68399      22.28646 -62.00125      31.10457 2.354655       31.94799 11.17852 5.662382 15.10862 7.278696 -3.930104      9.221821 
1 1 1 -34 16 23 o 11.38099 5.607489 -22.34412      22.21007 -26.16600      30.53109 -18.04827      32.36898 12.78694 6.349069 13.56609 6.700159 -0.7791519     9.230536 
1 1 1 -34 16 24 f 19.94767 7.901155 38.52963       22.91363 50.91385       32.61970 26.46652       32.19402 20.22443 8.804139 17.13425 7.962899 3.090183       11.87100 
1 1 1 -34 16 25 o 12.74811 6.146197 -6.896953      22.88382 -10.00227      32.39508 -3.804055      32.33025 13.88152 6.826350 14.30424 6.989394 -0.4227190     9.769887 
1 1 1 -34 16 26 o 14.57998 6.919149 6.714460       26.62449 -13.77543      32.57710 47.93000       46.20332 13.59188 6.714520 18.11519 8.733683 -4.523310      11.01644 
1 1 1 -34 17 1  o 15.26290 6.753982 10.78894       19.92190 -5.961418      28.30092 27.24174       28.04842 14.42823 6.925003 18.39897 8.082801 -3.970741      10.64365 
1 1 1 -34 17 2  f 20.85861 7.652518 35.50491       20.45814 15.57959       28.86549 55.61544       28.99934 16.80034 7.711636 23.53689 9.009940 -6.736546      11.85953 
1 1 1 -34 17 3  o 27.20808 7.651538 57.30193       21.22534 12.74981       29.74564 103.5187       30.29626 16.52129 7.669849 35.07245 8.831697 -18.55116      11.69724 
1 1 1 -34 17 4  o 18.16195 7.729554 25.50031       24.07621 24.30059       28.76069 28.31000       44.01370 17.94755 8.017855 18.49149 8.809720 -0.5439358     11.91206 
1 1 1 -34 17 5  o 19.69762 8.025990 33.38328       24.36476 44.63129       29.45506 9.010000       43.35897 21.20185 8.751997 17.06545 8.283257 4.136396       12.05030 
1 1 1 -34 17 6  o 17.37322 7.593675 21.12329       24.47867 4.518992       28.64465 66.08000       47.13358 15.49214 7.299216 21.64485 9.905005 -6.152701      12.30397 
1 1 1 -34 17 7  o 14.29301 6.823470 -4.435594      26.68738 -1.769000      33.17599 -9.325000      44.92349 15.43030 7.429513 16.05701 7.923451 -0.6267099     10.86180 
1 1 1 -34 17 8  o 17.25446 7.642786 20.24872       25.57160 7.649850       30.61211 49.34000       46.51669 16.01998 7.547238 20.13109 9.426732 -4.111111      12.07576 
1 1 1 -34 17 9  o 16.28674 7.173091 15.50556       22.21993 -1.959418      31.40708 33.00761       31.44041 15.18926 7.291542 19.09173 8.464642 -3.902469      11.17214 
1 1 1 -34 17 10 o 17.01354 7.473923 19.31050       23.98002 33.73000       39.37237 10.80733       30.23480 18.91547 8.795899 16.28789 7.618278 2.627583       11.63641 
1 1 1 -34 17 11 o 18.32957 7.810906 27.04354       24.64093 -4.794000      41.27441 44.67482       30.71518 15.93528 7.809624 20.87581 8.800278 -4.940534      11.76584 
1 1 1 -34 17 12 o 13.45691 6.426332 -6.435409      23.71047 8.118000       38.72361 -15.16416      29.98952 16.54751 7.982285 13.81449 6.746102 2.733017       10.45116 
1 1 1 -34 17 13 o 18.97473 7.757591 30.32051       22.85632 13.69430       32.36861 46.85479       32.27902 16.58837 7.798114 20.82693 8.909274 -4.238558      11.84001 
1 1 1 -34 17 14 o 16.15482 7.186407 15.41249       22.85196 18.51338       32.86557 12.51014       31.79605 17.08748 7.976019 16.41033 7.718921 0.6771526      11.09949 
1 1 1 -34 17 15 f 27.19135 8.241287 63.09400       23.82923 92.26360       34.09296 35.23278       33.31959 29.02764 9.953176 19.00148 8.548130 10.02616       13.12007 
1 1 1 -34 17 16 o 18.72237 8.099038 30.95828       27.24924 45.31118       32.58809 -2.402000      49.68254 20.49071 8.860482 16.48150 8.168861 4.009209       12.05149 
1 1 1 -34 17 17 o 18.06220 7.658228 26.38012       23.48213 5.247045       33.63157 46.48285       32.80148 15.83057 7.585104 20.58853 8.896084 -4.757959      11.69077 
1 1 1 -34 17 18 o 11.72755 5.758537 -21.61826      22.77948 -27.49497      32.79196 -16.13764      31.66756 13.29332 6.596977 13.84253 6.795554 -0.5492067     9.470990 
1 1 1 -34 17 19 f 18.03732 7.663381 27.55130       23.59588 65.39622       33.74345 -8.661778      33.00794 23.07844 9.429443 14.47648 7.071123 8.601953       11.78623 
1 1 1 -34 17 20 f 16.29341 7.222704 18.12155       22.88150 32.52944       32.29115 3.591330       32.42793 18.25513 8.293701 15.29458 7.359352 2.960551       11.08808 
1 1 1 -34 17 21 o 17.91755 7.645811 28.11577       23.66765 8.148911       33.63868 47.68968       33.30603 15.65584 7.523470 19.98979 8.793839 -4.333952      11.57299 
1 1 1 -34 17 22 o 11.06453 5.486044 -27.05750      22.48648 -25.42256      31.26350 -28.80985      32.36655 12.90276 6.409663 12.87938 6.418247 0.2337551E-01  9.070704 
1 1 1 -34 17 23 o 13.00056 6.236075 -4.722959      22.87372 -38.20445      31.44237 32.91600       33.33740 12.14990 6.094696 17.71064 8.186230 -5.560741      10.20586 
1 1 1 -34 17 24 o 12.83595 6.181546 -6.077143      22.99254 -47.10174      32.54157 34.82061       32.49122 11.86936 5.985999 17.86013 8.191996 -5.990775      10.14598 
1 1 1 -34 17 25 o 13.57905 6.561467 -2.756741      26.43763 -11.26702      32.17840 14.92000       46.37605 13.63984 6.725998 16.02669 7.934357 -2.386844      10.40159 
1 1 1 -34 18 1  o 27.32808 8.777601 67.51961       26.62025 1.775000       51.30676 91.73752       31.13959 17.00491 8.405351 31.20822 9.412919 -14.20331      12.61955 
1 1 1 -34 18 2  o 17.35177 7.584093 21.23492       24.41548 2.756419       29.83376 58.71000       42.48600 15.41907 7.319365 21.33851 9.621360 -5.919449      12.08899 
1 1 1 -34 18 3  o 17.73143 7.681142 23.46822       24.57899 14.29604       30.16456 41.59000       42.39952 16.66668 7.732638 19.57244 9.110307 -2.905760      11.94953 
1 1 1 -34 18 4  o 20.90944 8.282673 39.94666       25.18150 39.82765       30.72833 40.19000       43.93938 20.12024 8.651289 19.37397 9.100695 0.7462692      12.55657 
1 1 1 -34 18 5  o 25.28544 8.677679 58.91294       25.91637 24.63154       31.12571 136.4000       46.79555 17.92470 8.143218 31.26058 11.55556 -13.33588      14.13658 
1 1 1 -34 18 6  o 16.00109 7.018240 14.64868       21.07072 2.600103       29.36259 27.44028       30.25443 15.31645 7.267952 18.27884 8.190405 -2.962391      10.95015 
1 1 1 -34 18 7  o 23.31089 8.093351 47.09676       22.56816 3.200270       32.16078 89.68283       31.67711 15.65216 7.477335 30.15856 9.562981 -14.50640      12.13924 
1 1 1 -34 18 8  o 20.46887 8.468988 40.52425       27.66761 -3.930898      33.46742 136.5000       49.17472 15.15603 7.337701 29.62237 11.62346 -14.46633      13.74579 
1 1 1 -34 18 9  o 20.65990 8.204833 39.34058       24.77026 5.996000       40.39808 59.42927       31.35623 16.45278 7.988097 23.24135 9.230939 -6.788576      12.20737 
1 1 1 -34 18 10 o 21.45798 8.905676 49.32393       30.72582 21.80000       39.87132 89.57000       48.21332 17.58982 8.381481 23.41412 10.42564 -5.824305      13.37697 
1 1 1 -34 18 11 o 27.05971 8.299820 63.11465       24.07381 65.92364       36.51324 60.95462       32.01881 22.93458 9.627186 23.26189 9.298552 -0.3273182     13.38453 
1 1 1 -34 18 12 o 22.08393 8.090688 43.66427       22.85545 26.38840       32.44910 60.67310       32.19735 17.91147 8.204774 23.12732 9.297105 -5.215849      12.39978 
1 1 1 -34 18 13 o 15.03023 6.879601 8.342256       22.75466 48.49327       32.32266 -31.10740      32.03911 20.96410 8.940149 13.03589 6.477969 7.928213       11.04040 
1 1 1 -34 18 14 o 11.98455 5.841234 -17.53039      22.17804 -17.19598      31.12526 -17.87528      31.60932 13.77723 6.758124 13.80537 6.779733 -0.2814293E-01 9.572722 
1 1 1 -34 18 15 o 13.31189 6.346359 -5.568542      22.92086 -56.46236      32.45428 45.07953       32.37584 11.81406 5.960561 20.37658 8.821349 -8.562526      10.64634 
1 1 1 -34 18 16 o 14.07571 6.591950 1.930279       22.75743 -3.633228      32.25532 7.444758       32.11288 14.82250 7.182738 15.74767 7.508793 -0.9251680     10.39104 
1 1 1 -34 18 17 o 18.86864 7.776522 31.66346       23.20585 53.33563       32.22947 8.332652       33.44005 21.35723 9.009523 15.83996 7.582607 5.517274       11.77571 
1 1 1 -34 18 18 o 14.21200 6.633696 3.896464       22.73256 6.025500       31.67705 1.635734       32.64206 15.43370 7.385950 15.14638 7.311930 0.2873173      10.39310 
1 1 1 -34 18 19 o 12.81735 6.163564 -7.729750      22.66449 -23.12872      31.65751 8.462310       32.46250 13.18969 6.534390 15.60580 7.470634 -2.416114      9.925151 
1 1 1 -34 18 20 o 14.71828 6.797141 8.834955       22.91023 8.803268       31.83549 8.868993       32.99556 15.48072 7.407360 15.56371 7.471910 -0.8298206E-01 10.52133 
1 1 1 -34 18 21 f 11.74054 5.764717 -18.66200      22.82209 14.06927       32.46688 -50.63201      32.08710 15.86412 7.560340 11.70152 5.906586 4.162602       9.594088 
1 1 1 -34 18 22 o 16.72574 7.371537 23.65635       23.50440 4.183610       33.17091 43.29274       33.31001 14.93184 7.247034 18.78419 8.489809 -3.852352      11.16227 
1 1 1 -34 18 23 o 12.88756 6.181740 -4.532013      22.47424 1.392504       31.01272 -11.08432      32.61449 14.53545 7.043494 13.80165 6.799198 0.7338037      9.789785 
1 1 1 -34 19 1  o 15.58594 7.451578 3.747858       32.07435 40.09000       51.45309 -19.35000      41.01966 18.88224 9.131212 14.93997 7.407928 3.942268       11.75825 
1 1 1 -34 19 2  o 15.76443 7.523144 5.446623       32.37811 4.299000       51.94067 6.176000       41.40798 16.90880 8.375660 16.48756 8.023760 0.4212399      11.59881 
1 1 1 -34 19 3  o 18.06814 8.316847 27.57596       33.90117 25.09000       54.03179 29.19000       43.53711 17.99639 8.843142 18.19670 8.694817 -0.2003098     12.40165 
1 1 1 -34 19 4  o 17.37766 7.669815 22.53111       25.53103 55.30000       54.46985 13.30491       28.90258 19.72565 9.503259 16.27215 7.556309 3.453501       12.14124 
1 1 1 -34 19 5  o 15.70971 6.960648 13.67589       21.22639 0.9357125      30.51597 25.61813       29.54488 15.14856 7.249446 17.82902 8.032533 -2.680464      10.82017 
1 1 1 -34 19 6  o 32.47136 7.498515 79.50313       23.35201 32.78494       34.38566 119.4935       31.81356 18.62590 8.499383 37.49136 8.817903 -18.86546      12.24724 
1 1 1 -34 19 7  o 16.10573 7.242745 14.92467       23.89526 -27.76000      39.52129 39.51952       29.99972 14.30005 7.120728 19.83402 8.538395 -5.533973      11.11796 
1 1 1 -34 19 8  o 22.79288 8.338626 48.26089       24.26458 -3.694000      38.58359 82.25208       31.20847 15.57798 7.616846 28.17175 9.525249 -12.59377      12.19618 
1 1 1 -34 19 9  o 12.75124 6.161254 -11.88158      23.30603 -10.96000      38.07054 -12.43397      29.47451 15.05290 7.401953 13.84580 6.745170 1.207097       10.01430 
1 1 1 -34 19 10 o 10.33587 5.180493 -40.96262      22.49329 -23.61000      35.26095 -52.86888      29.20783 13.95559 6.910709 11.32498 5.706366 2.630616       8.962172 
1 1 1 -34 19 11 o 16.07132 7.131062 15.48420       22.35742 -8.449914      31.69010 39.20222       31.54672 14.48019 7.040611 19.59918 8.592194 -5.118987      11.10837 
1 1 1 -34 19 12 o 11.45066 5.714827 -37.34138      26.07446 -36.69634      31.24847 -38.82000      47.31147 12.55288 6.263557 14.62546 7.355435 -2.072587      9.660982 
1 1 1 -34 19 13 o 18.97205 7.815530 31.59661       23.42493 25.81563       33.21072 37.32025       33.04559 17.68744 8.173792 19.08217 8.554391 -1.394737      11.83167 
1 1 1 -34 19 14 o 13.54951 6.422141 -2.198914      22.79896 -9.245786      32.25320 4.838699       32.23200 14.34112 7.001712 15.45977 7.412252 -1.118649      10.19635 
1 1 1 -34 19 15 f 12.99823 6.225844 -6.589316      22.61467 21.13138       32.12287 -33.82891      31.84290 16.96231 7.906887 12.68159 6.327013 4.280714       10.12670 
1 1 1 -34 19 16 o 15.10727 6.911626 10.59739       22.93142 13.03403       32.26466 8.110177       32.59776 16.08254 7.627742 15.65424 7.491768 0.4282980      10.69154 
1 1 1 -34 19 17 o 17.83057 7.591191 27.61703       23.23621 17.12182       32.78488 38.21024       32.93758 16.39358 7.749656 18.72871 8.455585 -2.335127      11.46970 
1 1 1 -34 19 18 o 22.59867 8.283233 50.25739       23.96069 75.24059       33.82304 25.08868       33.94838 24.14431 9.587943 17.08176 8.016179 7.062550       12.49751 
1 1 1 -34 19 19 o 19.04106 7.834352 35.09776       23.50003 40.71423       32.61229 29.03156       33.89281 18.76706 8.448570 17.34005 8.095824 1.427011       11.70131 
1 1 1 -34 19 20 o 19.51905 7.879635 37.88144       23.23377 0.6564337      31.84785 80.23194       33.96972 14.57335 7.079522 24.44608 9.639904 -9.872724      11.96024 
1 1 1 -34 19 21 o 11.15314 5.514713 -23.07898      22.15124 -25.15542      30.75299 -20.84007      31.93352 12.65108 6.296639 13.07393 6.491853 -0.4228477     9.043883 
1 1 1 -34 19 22 o 13.42822 6.483415 -3.174589      25.68636 9.940063       31.51656 -29.12000      44.32928 15.14823 7.280252 13.93688 7.023397 1.211352       10.11584 
1 1 1 -34 20 1  o 15.72285 7.188709 12.00641       24.75528 10.06253       30.07559 16.09000       43.59142 15.94345 7.501768 17.16041 8.323752 -1.216951      11.20542 
1 1 1 -34 20 2  o 17.31520 7.335422 22.52816       21.51424 14.74780       30.89094 29.85687       29.98092 16.49182 7.709367 18.33053 8.187752 -1.838711      11.24605 
1 1 1 -34 20 3  o 16.83493 7.558726 19.37971       25.91139 -30.79000      55.06520 33.64788       29.36572 15.56461 7.841663 18.91180 8.290383 -3.347190      11.41149 
1 1 1 -34 20 4  o 17.69821 7.835812 25.06434       26.84998 39.99000       57.80159 20.95755       30.31968 18.63297 9.154041 17.17353 7.890502 1.459440       12.08538 
1 1 1 -34 20 5  o 19.47709 8.498003 37.96068       30.53732 0.000000       0.000000 37.96068       30.53732 ?        ?        19.47709 8.498003 ?              ?        
1 1 1 -34 20 6  o 15.71799 7.432055 7.841724       30.18631 0.000000       0.000000 7.841724       30.18631 ?        ?        15.71799 7.432055 ?              ?        
1 1 1 -34 20 7  o 16.14593 7.302183 15.12530       24.69011 -18.97000      44.26253 30.52616       29.74825 15.19038 7.559443 18.42116 8.196688 -3.230783      11.15038 
1 1 1 -34 20 8  o 22.90510 8.136669 47.23445       22.90002 23.46536       33.14178 68.95132       31.67876 17.47976 8.108286 24.77754 9.433503 -7.297773      12.43926 
1 1 1 -34 20 9  o 16.26368 7.186860 17.00680       22.48199 6.252503       33.09296 26.22439       30.63751 15.76427 7.545510 17.75776 8.071976 -1.993490      11.04950 
1 1 1 -34 20 10 o 20.16498 7.931562 37.04931       22.94511 -5.847358      32.95968 77.38809       31.96190 14.70504 7.156807 26.23666 9.574700 -11.53162      11.95386 
1 1 1 -34 20 11 o 15.19888 6.921928 10.93468       22.66359 -15.24805      31.92914 37.52149       32.17457 13.84744 6.803112 18.96895 8.476828 -5.121512      10.86917 
1 1 1 -34 20 12 o 15.93789 7.237106 15.31963       24.54765 2.192000       37.85449 24.84610       32.24707 15.61880 7.616705 17.34349 8.028719 -1.724698      11.06682 
1 1 1 -34 20 13 o 19.45410 8.217617 37.91483       26.87075 20.51221       31.72711 82.07000       50.53753 16.80548 7.841831 21.28402 9.920142 -4.478542      12.64530 
1 1 1 -34 20 14 o 20.47479 8.072012 40.54284       23.81330 23.17255       31.47844 63.78446       36.41186 17.02350 7.898554 21.72023 9.378940 -4.696732      12.26180 
1 1 1 -34 20 15 o 11.92877 5.827626 -16.25391      22.44600 -39.01400      31.16386 8.281737       32.35661 12.16776 6.098536 15.49755 7.429361 -3.329790      9.611844 
1 1 1 -34 20 16 o 15.63268 7.060791 15.56208       22.99578 -11.18784      31.86301 44.64144       33.22141 13.86548 6.808773 19.29908 8.619736 -5.433607      10.98450 
1 1 1 -34 20 17 o 18.76651 7.777864 33.92545       23.39103 -4.847925      32.35829 76.36133       33.85208 14.29024 6.984673 23.98429 9.569824 -9.694046      11.84767 
1 1 1 -34 20 18 o 18.42300 7.713285 32.89886       23.34532 16.35362       32.59234 50.33162       33.45509 15.91309 7.581225 19.67781 8.727682 -3.764726      11.56060 
1 1 1 -34 20 19 o 16.20786 7.239060 21.05610       23.43111 32.09904       32.99079 9.815755       33.28435 17.36494 8.066943 15.28609 7.380396 2.078847       10.93370 
1 1 1 -34 20 20 o 17.19297 7.476235 27.00543       23.46757 8.414743       32.42780 47.44807       34.00464 15.11903 7.296042 19.05487 8.598197 -3.935838      11.27658 
1 1 1 -34 21 1  o 19.34855 8.002514 34.74406       24.69123 11.18418       30.48558 79.67000       42.09752 15.92987 7.513006 23.01472 10.01048 -7.084859      12.51619 
1 1 1 -34 21 2  o 24.90060 8.099671 54.54316       22.62261 6.008018       31.65250 105.2257       32.34515 15.52412 7.416673 32.74010 9.523266 -17.21598      12.07061 
1 1 1 -34 21 3  o 22.92795 8.381292 50.36048       24.50608 8.246000       38.01872 80.29597       32.05347 16.15070 7.819616 26.76636 9.613135 -10.61567      12.39188 
1 1 1 -34 21 4  o 26.00124 8.558951 63.20468       25.22682 42.90000       41.12427 75.45495       31.94280 19.01203 8.889976 25.70110 9.538577 -6.689074      13.03902 
1 1 1 -34 21 5  o 21.49565 8.971500 53.34636       31.43482 0.000000       0.000000 53.34636       31.43482 ?        ?        21.49565 8.971500 ?              ?        
1 1 1 -34 21 6  o 23.61895 8.922026 59.50845       28.20341 -24.00000      60.06785 83.12454       31.94338 15.81051 7.992641 27.29704 9.617979 -11.48652      12.50551 
1 1 1 -34 21 7  f 18.91922 8.116780 34.64314       26.93564 50.13000       58.38285 30.45527       30.35987 18.65354 9.171270 18.04843 8.135980 0.6051102      12.25995 
1 1 1 -34 21 8  o 36.05320 8.553433 111.2061       29.72712 51.30000       59.80905 130.8611       34.25845 18.61920 9.179175 37.38100 9.379425 -18.76180      13.12368 
1 1 1 -34 21 9  o 15.82469 7.341173 13.72204       27.17617 -10.99000      56.55701 21.14067       30.98802 15.97060 8.033275 16.83487 7.819860 -0.8642740     11.21087 
1 1 1 -34 21 10 o 12.37356 6.110277 -23.07692      26.88548 -97.29000      56.25145 -1.104496      30.60782 13.46909 6.892821 14.62240 7.064245 -1.153308      9.869881 
1 1 1 -34 21 11 o 18.02320 7.665659 28.95700       23.65390 -14.42259      33.79633 70.61100       33.11732 13.98907 6.897219 23.70521 9.463090 -9.716144      11.70990 
1 1 1 -34 21 12 o 15.22972 6.945472 12.52575       22.91763 13.78055       32.90680 11.34392       31.93587 15.98497 7.616100 15.71180 7.490680 0.2731752      10.68248 
1 1 1 -34 21 13 o 15.62441 7.077593 15.44291       23.30524 -0.3644000     32.88984 31.38309       33.02778 14.74879 7.171539 17.68425 8.164836 -2.935461      10.86718 
1 1 1 -34 21 14 o 15.27693 6.983316 13.53434       23.34431 -19.92117      32.54907 48.97137       33.49912 13.32861 6.607180 19.69028 8.733306 -6.361663      10.95105 
1 1 1 -34 21 15 o 14.50852 6.893598 5.479458       26.58672 1.237251       31.35212 16.34000       50.16453 14.57921 7.068769 16.37097 8.130297 -1.791760      10.77354 
1 1 1 -34 21 16 f 12.35356 5.992033 -9.747382      22.58651 -18.25126      30.74857 0.2181843      33.28645 13.05190 6.461451 14.57828 7.116514 -1.526381      9.612238 
1 1 1 -34 21 17 o 15.92634 7.135606 19.48119       22.95762 22.34770       32.00917 16.44461       32.94501 16.32973 7.700635 15.79287 7.550925 0.5368624      10.78500 
1 1 1 -34 21 18 o 14.46050 6.694329 9.664145       22.42149 1.986893       30.84741 18.26306       32.64657 14.44358 7.005039 15.93447 7.590322 -1.490888      10.32877 
1 1 1 -34 22 1  o 17.78530 7.854736 28.59526       26.81767 1.407000       35.35576 65.43000       41.15269 15.23889 7.415669 20.94636 9.454610 -5.707472      12.01590 
1 1 1 -34 22 2  o 22.28449 8.789673 54.74330       28.24797 57.79000       38.88813 51.34000       41.10098 20.42073 9.206484 19.46334 9.028806 0.9573898      12.89491 
1 1 1 -34 22 3  o 20.37631 8.545444 45.58461       28.72795 13.38000       38.10593 87.99000       43.72644 16.27010 7.865611 23.04715 10.10942 -6.777054      12.80891 
1 1 1 -34 22 4  o 28.36316 8.142892 69.79439       23.79174 26.09858       33.29044 115.4114       34.01443 17.28059 8.053265 33.27364 9.790349 -15.99305      12.67699 
1 1 1 -34 22 5  o 25.41639 8.130968 58.22316       22.85927 44.89878       32.33217 71.54050       32.32362 19.62283 8.647149 24.15002 9.439199 -4.527187      12.80124 
1 1 1 -34 22 6  o 26.52488 8.151857 62.78486       23.20885 38.77355       32.91949 86.51459       32.72590 18.69160 8.444692 27.05978 9.714066 -8.368185      12.87151 
1 1 1 -34 22 7  o 20.90093 8.034781 42.40261       23.12811 5.757199       32.91496 78.14101       32.50507 15.27598 7.366516 25.26272 9.570305 -9.986744      12.07710 
1 1 1 -34 22 8  o 25.26723 9.057858 69.54440       28.44287 26.49000       59.40995 82.34731       32.39699 17.15677 8.572418 26.13752 9.623067 -8.980745      12.88758 
1 1 1 -34 22 9  o 14.89278 7.053383 7.281867       27.39966 1.447000       57.31432 9.010417       31.19526 16.12584 8.108104 15.35779 7.344196 0.7680511      10.93977 
1 1 1 -34 22 10 o 15.80093 7.372043 15.75377       28.02360 -23.77000      57.16507 28.25673       32.15200 15.21309 7.702740 17.24265 7.994145 -2.029563      11.10129 
1 1 1 -34 22 11 o 20.07960 8.458456 46.10014       28.34229 15.20000       56.84980 56.32063       32.69525 16.46726 8.251082 20.80765 8.935028 -4.340391      12.16203 
1 1 1 -34 22 12 o 13.95829 6.746414 -1.586054      27.99256 -71.24000      57.22533 20.32333       32.09450 13.81999 7.062756 16.26191 7.681456 -2.441920      10.43491 
1 1 1 -34 22 13 o 15.37220 7.237588 13.69169       28.07401 14.99000       55.26176 13.24006       32.59318 16.22684 8.131251 15.53710 7.450474 0.6897392      11.02845 
1 1 1 -34 22 14 o 14.39402 6.915856 4.312698       28.39539 -39.57000      55.05630 20.21568       33.14360 14.33374 7.288636 16.08085 7.656623 -1.747107      10.57110 
1 1 1 -34 22 15 o 13.67551 6.750410 -11.29325      32.69571 0.000000       0.000000 -11.29325      32.69571 ?        ?        13.67551 6.750410 ?              ?        
1 1 1 -34 22 16 o 16.23151 7.777150 23.09487       35.35463 43.76000       56.74062 9.980000       45.20193 17.12322 8.527436 15.57127 7.730505 1.551950       11.50990 
1 1 1 -34 23 1  f 20.98795 8.134908 44.79639       23.85005 35.38000       38.16792 50.82847       30.54850 17.69403 8.363600 20.42760 8.700701 -2.733570      12.06864 
1 1 1 -34 23 2  o 22.04476 8.044139 47.20893       22.55930 44.45605       32.73804 49.69801       31.13001 19.10467 8.543164 20.12113 8.680157 -1.016455      12.17911 
1 1 1 -34 23 3  o 14.13619 6.723464 2.916870       25.41831 5.134215       31.29320 -1.383000      43.57737 14.91677 7.190654 15.30675 7.597660 -0.3899775     10.46088 
1 1 1 -34 23 4  o 14.26900 6.742677 4.933427       24.77327 13.84184       30.61923 -11.95000      42.15260 15.64810 7.424314 14.67731 7.315867 0.9707880      10.42316 
1 1 1 -34 23 5  o 13.71130 6.535748 0.4660149      24.28963 -11.62633      29.77760 24.51000       41.98920 13.42859 6.591799 16.73096 8.127950 -3.302376      10.46496 
1 1 1 -34 23 6  o 18.03494 7.851359 32.55270       25.94401 -19.94694      31.51248 143.0000       45.70692 13.09960 6.494959 29.10469 11.26686 -16.00509      13.00487 
1 1 1 -34 23 7  o 12.17083 5.895623 -9.922792      21.68004 -13.25084      29.86432 -6.214725      31.52332 13.27814 6.534473 13.97467 6.843824 -0.6965294     9.462413 
1 1 1 -34 23 8  o 15.87690 7.060614 18.98084       22.04178 20.22207       30.90472 17.69576       31.44588 16.15295 7.601624 15.91194 7.542000 0.2410126      10.70824 
1 1 1 -34 23 9  o 9.815718 4.936441 -39.57212      21.30534 -55.47041      29.21477 -21.51213      31.13768 10.82984 5.485971 12.86290 6.391026 -2.033060      8.422653 
1 1 1 -34 23 10 o 16.99351 7.374982 26.25273       22.74341 29.95098       31.38357 22.16228       33.00579 17.05037 7.902585 16.22366 7.700534 0.8267097      11.03400 
1 1 1 -34 23 11 o 12.84254 6.164667 -3.720731      22.44263 -13.23756      31.51926 6.065770       31.96272 13.37652 6.607477 14.79720 7.165620 -1.420684      9.747044 
1 1 1 -34 23 12 o 14.10518 6.803019 1.530068       28.09914 8.322000       55.00926 -0.8677632     32.68500 15.84722 7.964703 14.34527 7.013337 1.501950       10.61242 
1 1 1 -34 23 13 o 11.08696 5.577199 -40.23597      27.28694 -61.89000      54.07206 -32.83737      31.60662 13.55710 6.923143 12.20777 6.121874 1.349323       9.241604 
1 1 1 -34 24 1  o 14.71299 6.704240 12.57770       21.29672 -13.52471      30.64678 36.95360       29.61590 13.23086 6.531777 18.01535 8.085483 -4.784484      10.39419 
1 1 1 -34 24 2  o 15.11897 6.855583 15.04429       21.93312 -9.116644      31.22079 38.58785       30.81933 13.58990 6.686592 18.10142 8.175141 -4.511519      10.56141 
1 1 1 -34 24 3  o 11.61892 5.692383 -15.42203      21.87372 16.05183       30.56912 -48.44523      31.31249 15.56958 7.396066 11.47061 5.795396 4.098975       9.396191 
1 1 1 -34 24 4  o 13.88451 6.519537 5.646013       22.51138 29.50843       31.50932 -19.23196      32.17284 16.95834 7.879994 13.07117 6.494825 3.887166       10.21161 
1 1 1 -34 24 5  o 12.85724 6.242532 -7.221191      24.67486 -12.01816      30.10162 2.604000       43.08014 13.26027 6.532403 15.16934 7.533671 -1.909064      9.971384 
1 1 1 -34 24 6  o 14.43130 6.792322 8.356660       24.68920 -33.65690      30.03598 95.88000       43.35199 11.96358 5.994899 22.60947 9.985973 -10.64590      11.64725 
1 1 1 -34 24 7  o 22.64920 8.490490 56.30988       25.43408 21.66466       30.77917 130.9000       45.16228 16.14682 7.594823 26.64497 10.90037 -10.49815      13.28531 
1 1 1 -34 24 8  o 15.37417 7.077307 16.45601       24.55517 -4.094852      29.85127 59.46000       43.18194 13.75634 6.720474 18.81684 8.894828 -5.060496      11.14822 
1 1 1 -34 24 9  o 16.62240 7.468670 26.16912       25.34824 8.691450       30.50490 65.16000       45.56268 14.74875 7.107106 18.81153 8.962533 -4.062787      11.43844 
1 1 1 -33 0  1  o 23.76094 10.28184 48.56327       24.65112 48.56327       24.65112 48.56327       24.65112 23.76094 10.28184 23.76094 10.28184 0.000000       0.000000 
1 1 1 -33 0  2  o 44.29433 7.093799 115.1877       28.39404 115.1877       28.39404 115.1877       28.39404 44.29433 7.093799 44.29433 7.093799 -0.000000      0.000000 
1 1 1 -33 0  3  o 41.37415 7.626987 103.4135       27.79556 103.4135       27.79556 103.4135       27.79556 41.37415 7.626987 41.37415 7.626987 -0.000000      0.000000 
1 1 1 -33 0  4  o 13.68481 8.602242 13.03778       24.12602 13.03778       24.12602 13.03778       24.12602 13.68481 8.602242 13.68481 8.602242 0.000000       0.000000 
1 1 1 -33 0  5  o 15.02264 9.095516 19.41763       24.66305 19.41763       24.66305 19.41763       24.66305 15.02264 9.095516 15.02264 9.095516 0.000000       0.000000 
1 1 1 -33 0  6  f 12.90215 8.288213 9.007993       23.87076 9.007993       23.87076 9.007993       23.87076 12.90215 8.288213 12.90215 8.288213 -0.000000      0.000000 
1 1 1 -33 0  7  o 22.88640 10.38574 46.86169       25.12493 46.86169       25.12493 46.86169       25.12493 22.88640 10.38574 22.88640 10.38574 -0.000000      0.000000 
1 1 1 -33 0  8  o 11.50478 7.775209 -2.377377      25.64891 -2.377377      25.64891 -2.377377      25.64891 11.50478 7.775209 11.50478 7.775209 0.000000       0.000000 
1 1 1 -33 0  9  o 17.73393 9.973851 31.21706       26.25532 31.21706       26.25532 31.21706       26.25532 17.73393 9.973851 17.73393 9.973851 -0.000000      0.000000 
1 1 1 -33 0  10 o 15.47272 9.312560 21.77062       25.54107 21.77062       25.54107 21.77062       25.54107 15.47272 9.312560 15.47272 9.312560 0.000000       0.000000 
1 1 1 -33 0  11 o 14.57928 9.009000 17.55390       25.32976 17.55390       25.32976 17.55390       25.32976 14.57928 9.009000 14.57928 9.009000 0.000000       0.000000 
1 1 1 -33 0  12 o 11.33802 7.667441 -2.511986      25.02154 -2.511986      25.02154 -2.511986      25.02154 11.33802 7.667441 11.33802 7.667441 0.000000       0.000000 
1 1 1 -33 0  13 o 11.96385 7.972690 2.070122       25.29090 2.070122       25.29090 2.070122       25.29090 11.96385 7.972690 11.96385 7.972690 0.000000       0.000000 
1 1 1 -33 0  14 f 35.45134 9.506828 86.78309       28.50429 86.78309       28.50429 86.78309       28.50429 35.45134 9.506828 35.45134 9.506828 0.000000       0.000000 
1 1 1 -33 0  15 o 13.19677 8.514272 10.49091       25.54582 10.49091       25.54582 10.49091       25.54582 13.19677 8.514272 13.19677 8.514272 -0.000000      0.000000 
1 1 1 -33 0  16 o 10.22658 7.133528 -13.53506      25.92890 -13.53506      25.92890 -13.53506      25.92890 10.22658 7.133528 10.22658 7.133528 0.000000       0.000000 
1 1 1 -33 0  17 o 11.95027 7.991010 2.406821       25.78952 2.406821       25.78952 2.406821       25.78952 11.95027 7.991010 11.95027 7.991010 -0.000000      0.000000 
1 1 1 -33 0  18 o 10.56956 7.318218 -9.739215      25.98402 -9.739215      25.98402 -9.739215      25.98402 10.56956 7.318218 10.56956 7.318218 -0.000000      0.000000 
1 1 1 -33 0  19 o 14.59032 9.106956 18.78991       26.54020 18.78991       26.54020 18.78991       26.54020 14.59032 9.106956 14.59032 9.106956 -0.000000      0.000000 
1 1 1 -33 0  20 o 11.47513 7.983068 -10.59000      31.88799 -10.59000      31.88799 -10.59000      31.88799 11.47513 7.983068 11.47513 7.983068 0.000000       0.000000 
1 1 1 -33 0  21 o 9.282928 6.823653 -87.51000      42.49811 -87.51000      42.49811 -87.51000      42.49811 9.282928 6.823653 9.282928 6.823653 0.000000       0.000000 
1 1 1 -33 0  22 o 12.67404 8.383225 6.761374       27.11083 6.761374       27.11083 6.761374       27.11083 12.67404 8.383225 12.67404 8.383225 0.000000       0.000000 
1 1 1 -33 0  23 o 14.33646 9.123088 17.22726       28.09619 17.22726       28.09619 17.22726       28.09619 14.33646 9.123088 14.33646 9.123088 -0.000000      0.000000 
1 1 1 -33 0  24 o 17.60637 10.27343 34.42157       29.38235 34.42157       29.38235 34.42157       29.38235 17.60637 10.27343 17.60637 10.27343 -0.000000      0.000000 
1 1 1 -33 0  25 o 34.34091 11.04015 93.53324       32.74130 93.53324       32.74130 93.53324       32.74130 34.34091 11.04015 34.34091 11.04015 0.000000       0.000000 
1 1 1 -33 0  26 o 10.55839 7.433043 -17.21163      30.11770 -17.21163      30.11770 -17.21163      30.11770 10.55839 7.433043 10.55839 7.433043 -0.000000      0.000000 
1 1 1 -33 0  27 f 10.78415 7.563959 -14.82136      30.32290 -14.82136      30.32290 -14.82136      30.32290 10.78415 7.563959 10.78415 7.563959 0.000000       0.000000 
1 1 1 -33 0  28 o 13.52347 8.969954 10.60892       31.39088 10.60892       31.39088 10.60892       31.39088 13.52347 8.969954 13.52347 8.969954 0.000000       0.000000 
1 1 1 -33 0  29 o 56.08895 7.430501 191.7502       38.80019 191.7502       38.80019 191.7502       38.80019 56.08895 7.430501 56.08895 7.430501 0.000000       0.000000 
1 1 1 -33 0  30 o 14.70125 10.17592 9.479000       50.14545 9.479000       50.14545 9.479000       50.14545 14.70125 10.17592 14.70125 10.17592 0.000000       0.000000 
1 1 1 -33 0  31 o 14.26618 9.958110 2.835000       50.76634 2.835000       50.76634 2.835000       50.76634 14.26618 9.958110 14.26618 9.958110 0.000000       0.000000 
1 1 1 -33 0  32 o 13.53675 9.006897 11.66832       32.06569 11.66832       32.06569 11.66832       32.06569 13.53675 9.006897 13.53675 9.006897 0.000000       0.000000 
1 1 1 -33 0  33 o 11.27337 8.047380 -25.37000      39.82561 -25.37000      39.82561 -25.37000      39.82561 11.27337 8.047380 11.27337 8.047380 0.000000       0.000000 
1 1 1 -33 0  34 o 15.33249 9.777763 26.21597       32.47960 26.21597       32.47960 26.21597       32.47960 15.33249 9.777763 15.33249 9.777763 0.000000       0.000000 
1 1 1 -33 0  35 o 12.24931 8.365428 3.592366       31.33127 3.592366       31.33127 3.592366       31.33127 12.24931 8.365428 12.24931 8.365428 -0.000000      0.000000 
1 1 1 -33 0  36 o 18.21049 10.75311 44.09858       32.84862 44.09858       32.84862 44.09858       32.84862 18.21049 10.75311 18.21049 10.75311 0.000000       0.000000 
1 1 1 -33 1  1  o 25.65962 6.939062 42.82773       17.84411 23.15903       24.89599 63.60674       25.58904 19.42637 8.035250 29.62530 8.425459 -10.19893      11.64275 
1 1 1 -33 1  2  o 19.19147 6.975365 23.23493       16.93921 29.06323       24.07291 17.51881       23.84011 20.66397 8.125267 18.23842 7.723932 2.425545       11.21067 
1 1 1 -33 1  3  o 23.42595 7.188919 36.60138       18.05783 34.90890       26.18880 38.13542       24.93273 21.90851 8.515359 22.76821 8.431422 -0.8597012     11.98333 
1 1 1 -33 1  4  o 31.23988 6.269690 59.77467       18.50466 79.87663       26.77867 41.40310       25.60018 33.84378 8.175968 23.48792 8.569404 10.35585       11.84403 
1 1 1 -33 1  5  o 18.99655 7.019019 22.66622       17.26201 9.557650       24.53682 35.51175       24.28940 16.91744 7.490378 22.15098 8.298573 -5.233536      11.17909 
1 1 1 -33 1  6  o 19.78276 7.074256 25.30895       17.33804 19.46649       24.75366 30.93563       24.29223 18.64837 7.882754 21.03223 8.193752 -2.383867      11.36993 
1 1 1 -33 1  7  o 20.76566 7.238862 28.71269       18.06360 31.72769       24.75115 25.27684       26.42223 21.16107 8.263079 19.82015 8.244942 1.340918       11.67294 
1 1 1 -33 1  8  o 17.79937 6.985860 18.59054       17.76625 39.93214       24.80827 -3.877794      25.45473 23.08017 8.433459 15.15165 7.054705 7.928519       10.99509 
1 1 1 -33 1  9  o 15.38325 6.569257 8.848166       17.49513 2.156387       24.02892 16.39755       25.52226 15.60960 7.116080 18.06765 7.826968 -2.458055      10.57828 
1 1 1 -33 1  10 o 19.00795 7.229323 23.12863       18.59240 31.63527       26.58338 14.98303       26.01314 20.95168 8.438934 17.85649 7.815937 3.095188       11.50237 
1 1 1 -33 1  11 o 22.47410 7.377615 34.72756       18.74863 32.31240       26.69180 37.07962       26.34083 21.08142 8.468347 22.12983 8.556847 -1.048412      12.03879 
1 1 1 -33 1  12 f 12.32952 5.798647 -9.427438      17.93303 -21.09474      25.71153 1.624846       25.02469 13.35526 6.457567 15.70011 7.196828 -2.344845      9.669256 
1 1 1 -33 1  13 o 47.09582 4.730016 124.6164       21.50984 130.4938       30.47959 118.7851       30.35979 44.73689 7.205117 41.98014 7.670951 2.756748       10.52412 
1 1 1 -33 1  14 f 37.59536 5.740234 84.64425       20.45511 109.4874       28.20459 57.07861       29.70986 40.57887 7.372372 25.91698 9.261271 14.66189       11.83736 
1 1 1 -33 1  15 o 28.90227 7.089979 55.90430       19.90355 67.28862       27.13608 42.64828       29.28197 29.30552 8.775306 22.67671 8.947635 6.628817       12.53260 
1 1 1 -33 1  16 o 33.08461 6.396743 69.20229       19.96587 75.37266       27.42670 62.24579       29.12145 31.28930 8.660704 27.04560 9.200672 4.243690       12.63567 
1 1 1 -33 1  17 o 13.45434 6.159313 -1.204525      18.24940 4.232562       25.74337 -6.697027      25.87423 15.85829 7.280488 14.57509 6.888387 1.283206       10.02274 
1 1 1 -33 1  18 o 17.84372 7.162121 20.05784       19.07665 40.47770       27.48420 1.074754       26.49965 22.11405 8.685993 15.57314 7.232965 6.540911       11.30320 
1 1 1 -33 1  19 o 19.67419 7.636428 27.74793       21.03922 15.37494       27.01791 46.81000       33.53508 17.50434 7.798695 22.50555 9.318885 -5.001205      12.15160 
1 1 1 -33 1  20 o 29.68130 8.314252 67.60999       25.11328 29.90000       46.18828 83.43692       29.92278 19.92764 9.351245 31.73717 9.138388 -11.80953      13.07501 
1 1 1 -33 1  21 o 19.12768 7.353707 25.55627       19.37445 37.23097       27.83456 14.58384       26.98442 21.21144 8.602246 17.31850 7.749463 3.892935       11.57812 
1 1 1 -33 1  22 o 13.23826 6.176012 -4.876877      19.66307 -12.96334      27.26802 3.883115       28.38091 14.14978 6.792951 16.11604 7.485183 -1.966267      10.10802 
1 1 1 -33 1  23 o 13.49955 6.303755 -4.424259      20.56203 -5.228115      27.60589 -3.422550      30.81650 14.92786 7.072908 15.64733 7.430961 -0.7194643     10.25891 
1 1 1 -33 1  24 o 15.38144 6.836188 8.252130       20.63154 10.36277       28.90000 6.058463       29.46296 16.81631 7.717959 16.37068 7.611311 0.4456329      10.83969 
1 1 1 -33 1  25 o 9.930731 4.964884 -40.08412      20.06255 -47.28952      28.00969 -32.49266      28.75027 11.74399 5.870665 12.83440 6.334255 -1.090414      8.636405 
1 1 1 -33 1  26 o 37.29672 6.590628 90.96405       23.18070 97.57370       33.10128 84.60305       32.47269 33.21552 9.625874 30.26834 9.691851 2.947184       13.65977 
1 1 1 -33 1  27 o 42.15265 6.010447 111.2785       24.09761 103.9388       34.08754 118.6110       34.07079 34.24079 9.719878 38.00043 9.248528 -3.759640      13.41683 
1 1 1 -33 1  28 o 14.85049 6.781056 3.875776       21.93426 -11.39869      30.93764 19.31344       31.10248 14.79656 7.136948 18.01578 8.166999 -3.219215      10.84601 
1 1 1 -33 1  29 o 14.72124 6.951850 -3.154801      26.25476 3.060849       30.79655 -19.69000      50.23004 16.06547 7.569059 16.56256 8.209864 -0.4970951     11.16658 
1 1 1 -33 1  30 o 17.89020 8.343641 17.80542       35.84229 -3.486000      50.15927 40.02000       51.23515 17.24471 8.482988 20.00265 9.522720 -2.757942      12.75317 
1 1 1 -33 1  31 o 19.75078 8.297278 32.30397       27.15537 47.91000       50.38914 25.91644       32.23720 20.60579 9.700045 18.68101 8.405695 1.924778       12.83536 
1 1 1 -33 1  32 o 31.12080 8.475932 78.51051       26.51198 83.99000       43.45884 75.26250       33.45932 25.14206 10.52500 26.80396 9.794132 -1.661903      14.37709 
1 1 1 -33 1  33 o 18.94274 8.280474 30.10389       29.11274 28.99000       40.37700 31.31000       42.01512 18.70140 8.765399 18.91061 8.888113 -0.2092171     12.48322 
1 1 1 -33 1  34 o 14.91132 6.955876 4.010776       24.93286 -7.914665      30.45889 28.23000       43.40673 14.53017 7.026348 18.38682 8.756738 -3.856653      11.22720 
1 1 1 -33 1  35 o 10.22493 5.130831 -42.38637      22.37716 -4.757668      30.30620 -87.49240      33.18098 14.60724 7.050123 10.78365 5.499554 3.823586       8.941439 
1 1 1 -33 1  36 o 20.01603 7.974358 36.24494       23.47017 43.09431       32.27360 28.55658       34.19317 20.01312 8.733985 18.03470 8.319850 1.978420       12.06244 
1 1 1 -33 2  1  o 46.64050 4.495692 119.7911       20.27017 105.5215       28.49292 134.4134       28.84299 40.06389 7.542383 46.84447 6.462345 -6.780582      9.932242 
1 1 1 -33 2  2  o 58.62517 3.915769 183.9527       22.34139 173.8858       31.54876 194.0795       31.64245 53.89746 6.086434 57.60748 5.685625 -3.710014      8.328926 
1 1 1 -33 2  3  o 36.69509 5.414717 78.03191       18.86504 72.20348       26.76880 83.78296       26.59049 31.63000 8.475333 35.04282 7.936967 -3.412825      11.61149 
1 1 1 -33 2  4  o 38.33783 5.244800 84.36539       19.16625 116.5760       28.63418 58.22052       25.79755 42.74601 7.092011 27.94634 8.595515 14.79966       11.14359 
1 1 1 -33 2  5  o 34.71186 5.874241 71.84184       19.24766 75.37719       27.68388 68.53374       26.77925 32.09753 8.627090 30.51883 8.598688 1.578703       12.18048 
1 1 1 -33 2  6  o 30.15302 6.647678 57.38058       19.09148 38.39129       26.97680 76.43371       27.02211 22.54796 8.675094 32.64739 8.405844 -10.09943      12.07955 
1 1 1 -33 2  7  o 26.84038 7.031643 47.31025       18.69130 33.65993       26.07763 61.73197       26.80433 21.51525 8.457788 28.48098 8.761940 -6.965725      12.17809 
1 1 1 -33 2  8  o 21.64225 7.247228 31.62498       18.06795 29.22730       25.04759 34.22600       26.08803 20.53452 8.218863 21.58987 8.467768 -1.055355      11.80054 
1 1 1 -33 2  9  o 11.17686 5.365670 -16.01234      17.01214 -21.10226      23.59011 -10.49681      24.55658 12.79376 6.185914 14.13714 6.690145 -1.343382      9.111728 
1 1 1 -33 2  10 o 23.80835 7.228950 38.45034       18.32320 29.96691       25.23520 47.91049       26.64835 20.62592 8.251569 24.67618 8.776177 -4.050253      12.04615 
1 1 1 -33 2  11 o 38.09138 5.747883 86.26387       20.76451 104.8879       30.65569 70.47553       28.22552 38.43509 8.384913 30.20191 8.926798 8.233171       12.24722 
1 1 1 -33 2  12 o 29.51915 6.965336 56.88139       19.79876 48.36489       27.92044 65.49526       28.07959 24.48665 8.946907 28.83809 8.984236 -4.351439      12.67926 
1 1 1 -33 2  13 o 35.38449 6.067821 76.38570       20.25995 79.74451       27.73063 72.54028       29.67155 32.82744 8.547498 29.97383 9.218202 2.853611       12.57120 
1 1 1 -33 2  14 o 36.44629 5.952962 80.70358       20.50455 80.86570       27.85416 80.51180       30.29500 32.92629 8.563171 31.66033 9.218626 1.265965       12.58217 
1 1 1 -33 2  15 o 25.84367 7.326999 46.25778       19.38211 30.65899       26.15692 65.25157       28.86337 20.42861 8.318892 28.04875 9.150655 -7.620134      12.36683 
1 1 1 -33 2  16 o 22.61201 7.447573 36.52473       19.09977 31.02437       26.36740 42.59708       27.70450 20.37544 8.331429 22.68765 8.774734 -2.312212      12.09995 
1 1 1 -33 2  17 o 11.04337 5.352249 -18.92441      17.92752 3.617468       24.97267 -42.89517      25.75199 15.63548 7.175416 11.53347 5.743893 4.102012       9.191240 
1 1 1 -33 2  18 o 16.45835 7.049731 13.33942       20.25911 29.83140       25.84008 -12.97000      32.63720 20.02665 8.224865 15.24098 7.346064 4.785666       11.02783 
1 1 1 -33 2  19 o 19.57173 7.881148 27.74368       23.17909 89.70000       44.32351 4.421884       27.19395 27.46270 10.95280 16.02718 7.402950 11.43552       13.21997 
1 1 1 -33 2  20 o 19.22261 7.348484 25.94334       19.27313 34.23037       27.11606 17.48262       27.39877 20.65424 8.447560 17.76848 7.888609 2.885756       11.55818 
1 1 1 -33 2  21 o 13.37552 6.195180 -2.992249      19.23872 -30.88383      26.49408 28.12055       27.98220 12.47636 6.142787 19.51681 8.320457 -7.040454      10.34233 
1 1 1 -33 2  22 o 13.43850 6.216558 -2.714509      19.28184 -14.95750      26.52663 11.00103       28.07662 13.80203 6.644977 16.95727 7.715582 -3.155244      10.18263 
1 1 1 -33 2  23 f 18.44501 7.663945 23.05464       22.79161 12.64000       35.95129 30.05294       29.47060 17.79140 8.316880 19.74068 8.480012 -1.949274      11.87776 
1 1 1 -33 2  24 o 17.72051 7.695036 19.11221       24.79037 3.480945       29.48770 56.79000       45.78113 16.08264 7.522697 22.28502 10.02306 -6.202381      12.53207 
1 1 1 -33 2  25 f 23.07437 7.966243 41.74178       21.85172 43.93392       31.10144 39.60471       30.70831 21.91940 9.015093 21.18981 8.857258 0.7295876      12.63815 
1 1 1 -33 2  26 o 26.43509 7.985481 53.87798       22.39901 72.66152       31.59043 34.88716       31.76425 27.74079 9.578256 20.26104 8.754438 7.479750       12.97625 
1 1 1 -33 2  27 o 30.02157 7.612207 65.35292       22.39713 67.05535       31.24714 63.55410       32.11952 26.53245 9.495944 25.47032 9.542726 1.062130       13.46241 
1 1 1 -33 2  28 o 19.14936 8.099142 27.60626       26.15587 53.32970       30.61446 -41.92000      50.33110 23.65179 9.202897 15.63955 7.825693 8.012233       12.08035 
1 1 1 -33 2  29 o 18.58131 8.007157 24.89813       26.43393 34.77021       31.28173 0.2438000      49.43484 20.09622 8.685469 17.52078 8.578350 2.575436       12.20760 
1 1 1 -33 2  30 o 16.83866 7.320560 16.45572       22.49014 21.53740       32.05049 11.52628       31.56676 18.12944 8.246823 16.93099 7.874041 1.198456       11.40222 
1 1 1 -33 2  31 o 15.57000 7.291333 3.126250       27.83575 -14.96000      54.65359 9.461050       32.34528 16.97220 8.438516 16.76893 7.855041 0.2032681      11.52867 
1 1 1 -33 2  32 o 22.91151 9.429426 56.46049       34.05566 0.000000       0.000000 56.46049       34.05566 ?        ?        22.91151 9.429426 ?              ?        
1 1 1 -33 2  33 o 24.33146 8.374102 51.66329       24.13994 16.28748       33.33068 90.69190       35.00922 17.24403 8.043514 29.10666 10.08162 -11.86262      12.89718 
1 1 1 -33 2  34 o 12.85152 6.267497 -17.68081      25.63967 -12.13912      31.00004 -29.68000      45.61598 14.25846 6.939761 15.04894 7.518068 -0.7904768     10.23140 
1 1 1 -33 2  35 o 10.62771 5.348265 -48.44998      25.22255 -78.82449      30.47591 17.59000       44.93715 10.52033 5.356538 17.31920 8.412498 -6.798875      9.973095 
1 1 1 -33 2  36 o 19.04742 7.860198 32.09681       23.74817 46.17718       32.60675 16.19017       34.65688 20.38178 8.838074 16.75152 7.933399 3.630257       11.87646 
1 1 1 -33 3  1  o 29.80447 6.371438 54.97200       18.02428 74.48140       26.31230 37.72369       24.74059 32.45650 8.262221 22.64956 8.396770 9.806940       11.78007 
1 1 1 -33 3  2  o 32.73936 5.957033 64.32652       18.38698 76.80914       26.61149 52.92354       25.43464 32.99666 8.259415 26.54670 8.584714 6.449963       11.91282 
1 1 1 -33 3  3  o 28.27572 6.624074 50.54273       18.01038 48.99997       25.91329 51.98438       25.04969 25.34788 8.677840 26.37883 8.518578 -1.030956      12.16022 
1 1 1 -33 3  4  o 29.71060 6.505615 55.18550       18.39392 48.87532       26.29055 61.23600       25.74391 25.21482 8.736378 28.78963 8.529438 -3.574814      12.20965 
1 1 1 -33 3  5  o 19.02453 7.164378 22.85503       18.15421 27.95548       25.68551 17.76377       25.66235 20.34466 8.258812 18.40415 7.909627 1.940510       11.43548 
1 1 1 -33 3  6  o 28.05703 6.927125 51.07108       18.90839 99.25830       27.52077 7.985945       26.02306 38.72784 7.531160 16.86185 7.572567 21.86599       10.67999 
1 1 1 -33 3  7  f 31.52077 6.446406 61.88936       19.21787 42.61309       27.18391 81.14937       27.17244 23.39901 8.776423 33.81568 8.277310 -10.41667      12.06397 
1 1 1 -33 3  8  o 16.25006 6.748851 12.56500       17.66234 6.942364       24.74969 18.40031       25.21340 16.43995 7.383878 18.38317 7.869203 -1.943226      10.79102 
1 1 1 -33 3  9  f 19.50335 7.191335 24.86686       18.10380 20.88082       25.04365 29.22977       26.20083 18.79254 7.935494 20.46090 8.328175 -1.668356      11.50350 
1 1 1 -33 3  10 o 22.87583 7.325387 35.84819       18.55066 15.64614       25.69406 57.84439       26.81074 17.92066 7.807358 27.23319 8.814477 -9.312534      11.77497 
1 1 1 -33 3  11 o 37.38065 5.611929 82.47382       19.90013 44.77066       26.54417 130.8604       30.07063 23.89746 8.724864 45.15551 7.032310 -21.25805      11.20610 
1 1 1 -33 3  12 o 20.76991 7.411719 29.53129       19.02157 19.78840       25.66997 41.39548       28.32699 18.58158 7.946800 22.81012 8.858848 -4.228544      11.90087 
1 1 1 -33 3  13 o 47.09767 4.879045 125.9183       22.16724 114.2574       30.51133 138.9543       32.26016 40.62403 7.957911 45.65010 7.478406 -5.026073      10.92039 
1 1 1 -33 3  14 o 17.78391 7.124751 19.08970       18.84123 -9.850698      25.49993 53.88551       27.96084 14.29306 6.779632 25.51338 8.997696 -11.22032      11.26596 
1 1 1 -33 3  15 o 19.10766 7.282351 24.42846       18.89072 36.40951       25.81506 10.61667       27.71729 21.63149 8.441099 17.12618 7.742029 4.505316       11.45387 
1 1 1 -33 3  16 o 15.17274 6.722663 6.688897       19.79928 -17.28799      24.88161 48.08000       32.69156 13.29428 6.409358 23.05918 9.333138 -9.764906      11.32199 
1 1 1 -33 3  17 o 13.82679 6.494561 -6.179044      22.37095 -21.70000      42.71189 -0.3115887     26.26120 16.12056 7.909451 15.36298 7.157288 0.7575798      10.66706 
1 1 1 -33 3  18 o 20.80609 7.413954 30.99702       19.02635 38.66481       26.67575 23.05708       27.14503 21.79722 8.558571 18.78615 8.104917 3.011068       11.78723 
1 1 1 -33 3  19 o 14.84705 6.567393 6.531802       18.81851 12.66844       25.58377 -0.7027345     27.77825 16.91782 7.559656 15.50519 7.268304 1.412631       10.48697 
1 1 1 -33 3  20 o 13.71157 6.283164 -0.3649557     19.05232 17.55839       25.67484 -22.32938      28.42223 17.64481 7.742936 13.56767 6.612787 4.077135       10.18244 
1 1 1 -33 3  21 o 18.34767 7.315594 22.51117       19.76834 33.36752       27.31597 10.57301       28.64465 20.49643 8.441216 16.94834 7.742875 3.548096       11.45453 
1 1 1 -33 3  22 o 15.71390 6.848772 10.30021       19.78924 33.53002       27.79405 -13.58333      28.18242 20.51493 8.488208 14.27364 6.866212 6.241288       10.91763 
1 1 1 -33 3  23 o 20.41395 7.676967 31.21782       20.82903 39.24884       29.72117 23.46642       29.19916 21.28679 8.789680 18.67290 8.223457 2.613894       12.03677 
1 1 1 -33 3  24 o 17.23878 7.458173 17.04433       23.11315 -12.12000      37.17112 35.42847       29.51219 15.75930 7.653952 20.55720 8.643789 -4.797894      11.54548 
1 1 1 -33 3  25 o 26.70491 8.621036 59.14176       25.65723 67.77133       30.51646 38.33000       47.39079 27.06468 9.410410 20.36310 9.528743 6.701574       13.39226 
1 1 1 -33 3  26 o 19.35339 7.639005 27.65547       21.34981 63.57458       30.05592 -8.927420      30.33236 26.14332 9.318040 14.93161 7.167294 11.21171       11.75568 
1 1 1 -33 3  27 o 23.14034 8.018273 42.62244       22.14637 29.72913       30.30461 57.40058       32.44415 19.47091 8.480904 24.08905 9.444578 -4.618137      12.69353 
1 1 1 -33 3  28 o 21.99782 8.547430 41.81971       26.38012 43.66291       30.80460 36.75000       51.08824 21.73500 8.958980 20.05472 9.536582 1.680285       13.08471 
1 1 1 -33 3  29 o 33.10210 7.431050 77.97137       23.48578 101.4528       32.35019 51.80341       34.15072 34.27840 9.373807 22.50726 9.369012 11.77114       13.25317 
1 1 1 -33 3  30 o 16.96469 7.340647 17.23140       22.39690 -12.85999      30.45779 52.65977       33.04860 14.45699 6.999443 22.70689 9.310968 -8.249898      11.64845 
1 1 1 -33 3  31 o 21.12423 8.524662 39.51080       27.18284 95.36000       43.82824 4.597860       34.65283 27.10305 10.86373 16.51443 7.853396 10.58862       13.40509 
1 1 1 -33 3  32 o 15.92998 7.449155 6.526196       28.87965 -27.94000      53.89284 20.41044       34.20546 16.16191 8.088662 17.85357 8.266270 -1.691658      11.56536 
1 1 1 -33 3  33 o 18.33573 8.093731 26.35527       28.44011 17.04000       49.77112 30.87151       34.65520 17.94133 8.745862 18.87370 8.581469 -0.9323654     12.25282 
1 1 1 -33 3  34 o 30.04454 8.111984 72.98782       24.40961 72.72185       33.18358 73.30144       36.03299 25.47933 9.665689 24.59144 9.852624 0.8878899      13.80217 
1 1 1 -33 3  35 o 31.47467 8.886563 88.93850       28.57150 63.33933       34.55144 144.3000       50.81094 22.82354 9.455575 29.34706 11.71945 -6.523527      15.05833 
1 1 1 -33 3  36 o 15.53183 7.062015 12.25833       23.46965 7.655558       32.07949 17.55937       34.42690 15.73969 7.504961 16.79448 7.939824 -1.054793      10.92544 
1 1 1 -33 4  1  o 48.57920 4.381726 129.4254       20.61168 110.3036       29.81430 146.9315       28.52692 40.53102 7.798094 49.57737 6.000439 -9.046345      9.839489 
1 1 1 -33 4  2  o 41.13485 4.936386 95.60772       19.47925 113.5518       28.67517 80.23201       26.54376 41.90208 7.253958 33.94886 8.101068 7.953224       10.87415 
1 1 1 -33 4  3  o 39.63869 5.195597 90.07841       19.67381 90.75158       28.04464 89.42612       27.60648 36.18814 8.117674 36.03332 8.032253 0.1548195      11.41988 
1 1 1 -33 4  4  o 33.72294 6.135524 69.10355       19.50686 55.17150       27.55959 83.09090       27.61423 26.48677 8.951117 34.22517 8.324072 -7.738396      12.22345 
1 1 1 -33 4  5  o 26.29668 7.109744 45.82302       18.73526 37.44246       26.37941 54.35294       26.61344 22.32045 8.580846 26.49004 8.793905 -4.169592      12.28673 
1 1 1 -33 4  6  o 13.96087 6.246943 1.577289       17.53432 10.11692       24.73678 -7.046388      24.85821 16.94614 7.511051 14.62436 6.861863 2.321783       10.17355 
1 1 1 -33 4  7  o 27.12163 7.127014 48.83464       19.16370 62.96925       27.96889 36.32677       26.31024 28.30421 8.987134 22.00299 8.539809 6.301228       12.39746 
1 1 1 -33 4  8  o 16.67278 6.824420 14.39555       17.71387 14.59375       25.42232 14.20852       24.69588 17.71725 7.741468 17.56368 7.652984 0.1535721      10.88570 
1 1 1 -33 4  9  o 31.45390 6.451261 61.88266       19.19511 59.31439       27.12288 64.45970       27.16914 27.53128 8.861708 28.93322 8.806223 -1.401934      12.49317 
1 1 1 -33 4  10 o 38.36085 5.627923 86.90055       20.50399 61.42367       27.58519 118.3541       30.65049 27.94273 8.931252 41.86391 7.765684 -13.92118      11.83525 
1 1 1 -33 4  11 o 23.79113 7.406466 39.11738       19.08697 39.72586       25.54364 38.34811       28.72095 22.77492 8.514668 22.15948 8.823665 0.6154423      12.26200 
1 1 1 -33 4  12 o 35.00557 6.070174 74.79822       20.04554 60.69428       26.63051 93.23684       30.44904 27.89894 8.757955 35.20275 8.848039 -7.303818      12.44948 
1 1 1 -33 4  13 o 10.80985 5.245368 -19.89282      17.35368 -12.25526      23.14547 -29.69855      26.22578 13.46679 6.408135 12.68731 6.219368 0.7794790      8.929992 
1 1 1 -33 4  14 o 15.10005 6.613825 7.089674       18.65422 13.45871       25.50172 -0.2403688     27.35811 17.30917 7.651339 15.72552 7.319145 1.583647       10.58834 
1 1 1 -33 4  15 o 20.89525 7.736679 31.68124       20.99173 43.70535       26.76127 12.45000       33.84418 23.11328 8.699703 17.97392 8.286596 5.139362       12.01468 
1 1 1 -33 4  16 o 15.23501 6.943709 3.472513       22.86207 39.37000       44.01316 -9.792177      26.75464 21.09877 9.623238 14.43482 6.874666 6.663949       11.82657 
1 1 1 -33 4  17 o 18.88726 7.283152 24.17016       19.04488 30.83412       25.90892 16.33689       28.09019 20.22403 8.262813 17.80571 7.941221 2.418322       11.46024 
1 1 1 -33 4  18 o 14.86568 6.607070 5.951712       19.27257 -15.58388      25.85061 32.90054       28.91761 13.62657 6.560314 20.44728 8.574304 -6.820712      10.79613 
1 1 1 -33 4  19 o 23.17148 7.580171 39.62812       19.79973 18.18293       26.55610 66.47107       29.71081 17.83516 7.848932 27.40741 9.293699 -9.572252      12.16464 
1 1 1 -33 4  20 o 19.19652 7.398298 25.90709       19.64404 27.90129       26.79500 23.58979       28.88423 19.47088 8.214393 18.78159 8.228024 0.6892910      11.62655 
1 1 1 -33 4  21 o 11.46265 5.528800 -16.63598      18.56477 11.71319       25.23165 -50.09848      27.41288 16.71317 7.484964 11.49405 5.754899 5.219124       9.441586 
1 1 1 -33 4  22 o 14.26056 6.469999 2.285601       19.56889 -0.1136393     26.79452 5.028153       28.64749 15.37575 7.185152 16.26380 7.542253 -0.8880434     10.41691 
1 1 1 -33 4  23 o 38.33155 6.187689 92.92898       22.42575 72.96281       31.76556 112.7681       31.66430 27.90921 9.606101 38.26241 8.657478 -10.35320      12.93171 
1 1 1 -33 4  24 o 14.36294 6.561224 2.017366       20.56358 7.581510       29.21520 -3.445920      28.94921 16.51620 7.644424 15.27590 7.239320 1.240298       10.52829 
1 1 1 -33 4  25 o 42.28889 6.420006 115.1859       25.74068 83.20000       40.86827 136.2187       33.14020 26.68739 10.55796 43.03786 8.165445 -16.35047      13.34709 
1 1 1 -33 4  26 o 19.67589 8.152284 30.15425       25.68646 6.152298       30.40127 90.04000       48.02089 16.42173 7.667210 25.78250 10.94238 -9.360773      13.36120 
1 1 1 -33 4  27 o 23.24660 8.617115 46.87210       26.05473 50.32895       30.89035 38.35000       48.50153 22.98983 9.151977 20.21305 9.515617 2.776777       13.20249 
1 1 1 -33 4  28 o 14.51080 6.847019 -3.802160      25.37591 5.735662       29.82006 -28.84000      48.31504 16.25982 7.592259 15.98086 7.943699 0.2789660      10.98839 
1 1 1 -33 4  29 o 16.91546 7.317772 16.84571       22.24796 20.11097       30.31204 13.03253       32.75671 17.90745 8.095654 17.22218 8.013394 0.6852646      11.39097 
1 1 1 -33 4  30 o 26.76114 8.749545 62.17487       26.38155 31.45000       40.40045 85.01598       34.83372 19.32555 8.960269 28.63438 10.04737 -9.308832      13.46239 
1 1 1 -33 4  31 o 17.17018 7.628440 17.24508       25.66740 23.71000       39.75858 12.62521       33.60966 18.55979 8.698705 17.17556 8.033059 1.384232       11.84050 
1 1 1 -33 4  32 o 12.36444 6.109249 -29.87341      27.01122 -35.22000      46.13062 -27.08391      33.32065 15.09090 7.542274 13.77785 6.803479 1.313056       10.15742 
1 1 1 -33 4  33 o 16.47439 7.559155 13.46209       27.69953 3.188000       49.03029 18.27843       33.57002 17.06576 8.393387 17.38785 8.097809 -0.3220901     11.66291 
1 1 1 -33 4  34 o 16.62350 7.310236 17.85390       22.99625 50.00630       31.33059 -19.69883      33.85967 21.57990 8.977662 14.09615 6.941084 7.483747       11.34800 
1 1 1 -33 4  35 o 20.10349 8.323528 39.51033       26.75060 28.79170       32.14352 63.66000       48.24800 18.04568 8.228083 20.51587 9.604859 -2.470190      12.64732 
1 1 1 -33 4  36 o 16.17683 7.642767 13.31924       31.80095 10.71000       43.48162 16.32000       46.62991 16.54086 8.087268 16.98145 8.317866 -0.4405823     11.60133 
1 1 1 -33 5  1  o 24.07986 7.061071 38.57948       17.71894 22.63348       25.80351 52.80793       24.37427 19.24160 8.086034 26.68111 8.379175 -7.439518      11.64451 
1 1 1 -33 5  2  o 40.61797 5.116828 94.31099       19.89301 66.69031       28.29017 121.3262       27.97836 29.27345 9.000750 44.02298 6.704257 -14.74953      11.22322 
1 1 1 -33 5  3  o 56.42236 4.077545 172.1854       22.36745 136.5946       31.42680 208.7229       31.84200 45.95356 7.224930 59.91639 5.490328 -13.96282      9.074322 
1 1 1 -33 5  4  o 30.85319 6.466496 59.50446       18.90313 28.78489       26.42324 91.70830       27.05405 20.42765 8.345026 36.81652 7.752707 -16.38887      11.39052 
1 1 1 -33 5  5  f 19.52405 7.157108 24.83120       17.88935 12.98426       25.36873 36.54945       25.23057 17.47589 7.681816 22.14611 8.421882 -4.670229      11.39905 
1 1 1 -33 5  6  f 25.71409 7.118120 44.15396       18.52582 40.11379       26.17602 48.20864       26.22298 22.85719 8.603889 24.84910 8.717658 -1.991905      12.24845 
1 1 1 -33 5  7  o 30.45671 6.596905 58.72697       19.09659 86.86966       27.35642 31.97891       26.66997 35.21654 8.104424 21.00445 8.455309 14.21209       11.71213 
1 1 1 -33 5  8  o 39.60410 5.395225 91.35594       20.37162 81.29480       28.73950 101.5162       28.88066 32.97097 8.757972 38.44968 7.936939 -5.478714      11.81935 
1 1 1 -33 5  9  o 19.40814 7.276824 24.63420       18.68424 17.97095       25.74236 32.05250       27.16174 18.30848 7.895746 20.99524 8.503806 -2.686762      11.60420 
1 1 1 -33 5  10 o 15.60652 6.682130 9.440161       18.18777 11.52494       24.66278 6.954612       26.92919 17.08049 7.538481 16.74314 7.593762 0.3373547      10.70018 
1 1 1 -33 5  11 o 25.26364 7.270244 43.55466       18.94427 37.46552       25.34977 51.25683       28.51035 22.18632 8.440669 24.95447 9.052407 -2.768148      12.37703 
1 1 1 -33 5  12 o 14.59501 6.460093 4.684005       18.23728 -7.655673      24.17507 20.98099       27.78238 14.24874 6.710981 18.80432 8.156048 -4.555582      10.56212 
1 1 1 -33 5  13 o 18.59317 7.234458 22.31654       18.91834 14.77330       25.03556 32.35742       28.88448 17.48448 7.660008 20.72217 8.620394 -3.237690      11.53199 
1 1 1 -33 5  14 o 17.26451 7.243276 16.47711       20.65236 22.15309       26.47400 7.653000       33.00917 18.77970 8.051737 17.38952 8.075223 1.390179       11.40349 
1 1 1 -33 5  15 o 13.48662 6.183296 -1.496590      18.48380 -2.006457      25.62086 -0.9431946     26.69211 15.07671 7.039032 15.40492 7.189763 -0.3282156     10.06184 
1 1 1 -33 5  16 o 19.96286 7.492475 28.33146       19.81879 22.95468       26.85848 34.75859       29.36495 18.76003 8.077563 20.81829 8.678588 -2.058260      11.85601 
1 1 1 -33 5  17 o 22.85452 7.621524 38.38218       19.98553 19.85863       26.83272 61.46173       29.95135 18.23242 7.960207 26.31149 9.309452 -8.079069      12.24871 
1 1 1 -33 5  18 o 12.96793 6.073473 -6.202008      19.32262 -24.90563      25.98209 16.94397       28.90339 12.82235 6.265401 17.85629 8.002920 -5.033940      10.16376 
1 1 1 -33 5  19 o 18.15395 7.235942 21.85585       19.33384 -4.773083      26.16758 53.86739       28.69062 14.71684 6.946903 24.60861 9.056624 -9.891768      11.41411 
1 1 1 -33 5  20 o 15.03868 6.640341 7.382653       19.15686 2.644932       26.26175 12.77064       28.00608 15.60339 7.230922 17.14799 7.764097 -1.544600      10.60978 
1 1 1 -33 5  21 f 15.51926 6.780450 9.548503       19.49842 20.71667       26.80569 -3.000398      28.41443 18.25511 7.963408 15.34341 7.241554 2.911698       10.76364 
1 1 1 -33 5  22 o 11.38382 5.528977 -19.77673      19.39891 -54.41426      26.55935 19.83274       28.40164 11.01230 5.534649 18.13349 8.042200 -7.121184      9.762650 
1 1 1 -33 5  23 o 11.27606 5.499619 -21.74517      19.75342 -22.17523      27.10413 -21.25799      28.84850 13.20990 6.442651 13.66063 6.659001 -0.4507332     9.265531 
1 1 1 -33 5  24 o 14.36399 6.537003 2.606934       20.16735 -3.425709      27.95750 9.151641       29.11989 15.10656 7.145774 16.68620 7.690609 -1.579641      10.49798 
1 1 1 -33 5  25 o 26.02092 7.944318 52.18884       22.08848 39.92131       30.73400 65.29507       31.76726 21.12986 8.848594 25.94820 9.533202 -4.818336      13.00690 
1 1 1 -33 5  26 o 15.89903 7.300353 6.707040       25.89813 0.5815754      31.13939 20.45000       46.64238 15.93109 7.537483 18.82961 8.997866 -2.898515      11.73777 
1 1 1 -33 5  27 o 33.81463 8.308886 87.53015       27.30120 93.62445       32.57999 73.16000       50.02877 32.35160 9.597968 23.31658 10.48315 9.035019       14.21328 
1 1 1 -33 5  28 o 34.39232 7.337772 82.86186       23.94867 122.1007       33.25892 40.60830       34.51294 39.20214 8.874779 20.83249 9.062591 18.36966       12.68433 
1 1 1 -33 5  29 o 22.03706 8.393126 42.01088       25.08228 8.983000       38.73812 65.85255       32.91293 17.25594 8.233265 25.28331 9.618017 -8.027370      12.66068 
1 1 1 -33 5  30 o 25.32808 8.669256 56.19379       25.86173 24.26000       39.37791 80.41525       34.29475 18.59199 8.695393 27.80548 9.948636 -9.213488      13.21307 
1 1 1 -33 5  31 o 10.74257 5.347168 -36.37745      22.19559 -55.79467      29.77056 -12.07675      33.30450 11.56598 5.819129 14.92443 7.247652 -3.358448      9.294662 
1 1 1 -33 5  32 o 21.10356 8.116665 38.37302       23.60999 2.631187       32.11319 80.42149       34.83134 15.83022 7.537115 27.03113 9.973533 -11.20091      12.50118 
1 1 1 -33 5  33 o 17.06241 7.736368 18.27946       27.92598 76.42000       49.28223 -9.218935      33.89257 22.35541 10.19123 14.92932 7.264021 7.426088       12.51508 
1 1 1 -33 5  34 o 18.39768 8.073861 28.98464       27.92065 8.218000       49.34014 38.76712       33.86427 17.02930 8.384133 19.47020 8.698995 -2.440903      12.08165 
1 1 1 -33 5  35 o 17.25128 7.464160 22.69275       23.15387 7.178791       31.24492 41.58901       34.48307 15.67375 7.454641 19.50804 8.742411 -3.834297      11.48919 
1 1 1 -33 6  1  o 31.36828 6.455958 61.52391       19.16122 32.72891       27.81647 87.52505       26.43259 21.14816 8.591043 35.88768 7.751633 -14.73953      11.57125 
1 1 1 -33 6  2  o 24.69069 7.147739 40.95264       18.26056 20.08352       25.98009 61.32872       25.67135 18.72420 8.000891 28.62187 8.526786 -9.897663      11.69275 
1 1 1 -33 6  3  o 20.18339 7.308312 27.25507       18.57157 35.73628       27.24708 19.89610       25.38048 21.77504 8.618814 18.63614 7.933926 3.138897       11.71457 
1 1 1 -33 6  4  o 17.33428 6.945031 16.98500       17.90380 29.40099       25.65363 5.194889       24.99868 20.48894 8.276728 16.19677 7.334207 4.292170       11.05870 
1 1 1 -33 6  5  o 21.70703 7.325367 32.21221       18.45759 21.49676       26.44978 42.38352       25.76945 18.98708 8.091854 23.43249 8.589972 -4.445410      11.80109 
1 1 1 -33 6  6  o 30.95513 6.500033 60.21977       19.06691 57.18909       27.41780 63.05806       26.53331 26.85597 8.926129 28.75887 8.692073 -1.902899      12.45905 
1 1 1 -33 6  7  o 17.29395 6.941423 16.85396       17.91901 1.973409       24.80249 33.10166       25.91683 15.70031 7.184877 21.25363 8.407887 -5.553318      11.05961 
1 1 1 -33 6  8  o 13.01251 6.001381 -4.316145      17.77434 -0.6332228     23.96314 -8.820653      26.50154 15.17061 6.986453 14.75236 6.971933 0.4182549      9.870075 
1 1 1 -33 6  9  o 19.46003 7.227047 24.90019       18.34257 23.85201       24.67925 26.19381       27.41682 19.28999 7.991483 19.82840 8.333950 -0.5384121     11.54636 
1 1 1 -33 6  10 o 24.39207 7.551399 41.80882       19.87226 24.68624       27.80725 59.68132       28.40967 19.51271 8.305750 27.05083 9.087974 -7.538118      12.31165 
1 1 1 -33 6  11 o 42.77858 5.240564 106.2490       21.48596 92.15112       28.96024 123.5099       32.04483 35.52885 8.451171 42.02758 8.083114 -6.498737      11.69440 
1 1 1 -33 6  12 o 31.27189 7.285306 65.93631       21.88434 65.41303       27.55617 66.83000       36.01219 28.63400 8.896849 26.35124 10.05194 2.282753       13.42369 
1 1 1 -33 6  13 o 32.67108 8.055640 76.79571       25.59625 29.25000       46.70605 97.20499       30.60070 20.37956 9.511228 35.76064 8.802404 -15.38107      12.95939 
1 1 1 -33 6  14 o 15.68313 6.708422 10.73096       18.29882 -10.63005      24.37661 38.30779       27.69712 13.84496 6.584751 21.73682 8.661804 -7.891864      10.88052 
1 1 1 -33 6  15 o 17.43351 7.087376 18.41772       18.94809 0.7488686E-01  25.01519 43.10798       29.02240 15.17315 7.040413 22.45847 8.893316 -7.285320      11.34277 
1 1 1 -33 6  16 o 15.42295 6.731203 8.975389       19.17198 5.641931       25.34320 13.43554       29.31493 15.94537 7.284039 17.50149 7.931858 -1.556121      10.76901 
1 1 1 -33 6  17 o 20.42669 7.472082 30.10522       19.48262 17.53356       25.75283 46.92909       29.79146 17.72283 7.766572 23.01895 9.042687 -5.296122      11.92014 
1 1 1 -33 6  18 o 16.22145 6.950200 13.03211       19.70123 8.512342       26.85684 18.29787       28.98861 16.45058 7.508556 18.00898 8.047131 -1.558401      11.00612 
1 1 1 -33 6  19 o 17.95971 7.225878 21.04462       19.46707 7.713830       26.64913 36.29758       28.50574 16.29935 7.454685 20.93631 8.622807 -4.636967      11.39847 
1 1 1 -33 6  20 o 17.69092 7.209333 19.81024       19.66197 12.79049       26.84242 27.93724       28.88190 17.03724 7.667770 19.47761 8.381306 -2.440371      11.35962 
1 1 1 -33 6  21 f 11.51149 5.572372 -18.30890      19.28249 4.623141       26.70483 -43.28873      27.87169 15.92227 7.347928 11.99247 5.972992 3.929796       9.469355 
1 1 1 -33 6  22 o 14.87051 6.682714 5.536568       20.30404 0.5317343      28.13700 10.97426       29.32853 15.57146 7.304384 16.94624 7.776622 -1.374787      10.66911 
1 1 1 -33 6  23 o 22.38358 7.869201 38.97303       21.37467 8.807536       29.20705 73.76045       31.36488 16.64005 7.681065 28.20035 9.549010 -11.56030      12.25489 
1 1 1 -33 6  24 o 17.30698 7.327423 18.28622       21.44527 29.18755       29.91675 6.763867       30.75708 19.44135 8.447707 16.55457 7.723514 2.886789       11.44624 
1 1 1 -33 6  25 o 15.23916 7.028607 3.504245       24.38343 -11.56927      29.04589 39.48000       44.87272 14.45557 6.958032 20.39495 9.451621 -5.939376      11.73658 
1 1 1 -33 6  26 o 19.84345 8.129602 31.05542       25.16606 21.95203       29.83249 53.52000       46.86373 18.29912 8.171021 21.63806 9.892344 -3.338938      12.83059 
1 1 1 -33 6  27 f 22.94411 7.997754 42.03028       22.04936 51.79517       30.47253 31.29919       31.94454 23.31832 9.149915 19.62484 8.623479 3.693481       12.57320 
1 1 1 -33 6  28 o 20.03331 8.115770 32.43492       24.74496 -8.316000      39.34261 59.10684       31.82890 16.08687 7.827028 24.34487 9.408046 -8.258001      12.23821 
1 1 1 -33 6  29 o 17.66652 8.026952 18.76028       30.25521 28.88000       39.08010 3.621000       47.79957 19.06024 8.828699 17.45351 8.521796 1.606735       12.27057 
1 1 1 -33 6  30 o 19.94389 7.919168 31.90508       23.07181 62.21402       31.72173 -2.135206      33.61770 24.81173 9.441475 15.79067 7.570639 9.021062       12.10190 
1 1 1 -33 6  31 o 15.55119 7.006268 9.531049       22.47737 22.74972       30.26963 -6.717610      33.56000 18.03556 8.127590 15.29755 7.392049 2.738016       10.98636 
1 1 1 -33 6  32 o 16.07481 7.157747 13.39332       22.72628 -23.75057      30.84003 57.53310       33.61912 13.50884 6.646508 22.88385 9.388091 -9.375006      11.50271 
1 1 1 -33 6  33 o 21.99571 8.734099 47.93673       28.06525 -22.35000      49.30189 81.63198       34.13589 15.71301 7.844600 27.06134 9.891953 -11.34833      12.62492 
1 1 1 -33 6  34 o 31.05797 9.041507 88.48441       29.14453 90.69000       51.12749 87.42274       35.47206 22.78996 10.38584 27.12217 10.05438 -4.332211      14.45532 
1 1 1 -33 6  35 o 15.41127 6.988908 11.55613       22.80228 22.91382       31.41981 -1.082137      33.14380 17.34038 7.990831 15.14639 7.325582 2.193990       10.84055 
1 1 1 -33 7  1  o 49.29091 4.426855 134.0530       21.13113 88.86231       30.08676 178.0453       29.68514 34.40073 8.876117 55.08841 5.582164 -20.68768      10.48551 
1 1 1 -33 7  2  o 34.37289 6.043057 71.73413       19.59013 11.59068       27.73059 131.6529       27.67873 17.52827 7.848672 46.40485 6.252592 -28.87658      10.03477 
1 1 1 -33 7  3  f 24.79521 7.194797 41.53445       18.48206 28.46771       26.57350 53.77762       25.72243 20.28337 8.336662 26.41854 8.639678 -6.135178      12.00600 
1 1 1 -33 7  4  o 26.96076 7.094363 48.32128       18.97184 41.88828       27.67757 54.02267       26.05624 23.04012 8.806563 26.38530 8.699133 -3.345179      12.37863 
1 1 1 -33 7  5  o 33.60415 6.210361 69.37122       19.67526 73.96622       28.35063 65.10187       27.32760 31.07495 8.878533 29.01789 8.831840 2.057053       12.52317 
1 1 1 -33 7  6  o 41.23761 5.187741 97.91987       20.47774 79.09866       28.71265 117.4036       29.21362 32.33464 8.826537 42.32092 7.316816 -9.986271      11.46488 
1 1 1 -33 7  7  o 15.76097 6.716513 10.17221       18.22058 9.661451       24.72555 10.77918       26.95402 16.78379 7.470156 17.27613 7.736716 -0.4923458     10.75453 
1 1 1 -33 7  8  o 30.54077 6.768596 60.01331       19.70202 56.98526       26.88059 63.52827       28.96134 26.84779 8.834918 27.91485 9.169696 -1.067068      12.73339 
1 1 1 -33 7  9  o 23.25266 7.519131 38.11207       19.51247 43.82497       26.78545 31.65244       28.48226 23.43054 8.727234 20.72504 8.585505 2.705502       12.24237 
1 1 1 -33 7  10 o 23.17990 7.417035 37.71681       19.02048 24.63785       25.60620 53.81655       28.40978 19.31507 8.081861 25.40772 9.058907 -6.092655      12.14003 
1 1 1 -33 7  11 o 16.45592 7.047866 12.55313       20.24405 -3.017527      25.58559 38.62000       33.10445 15.05954 7.032059 21.63220 9.128551 -6.572663      11.52303 
1 1 1 -33 7  12 o 27.70192 8.420419 58.90453       24.85168 54.64000       47.60971 60.50166       29.13605 22.83247 10.24920 26.65272 9.198823 -3.820248      13.77187 
1 1 1 -33 7  13 o 13.85870 6.306589 0.3120096      18.76645 -11.88310      25.41306 14.93814       27.83100 13.95667 6.661706 17.65600 7.887433 -3.699335      10.32424 
1 1 1 -33 7  14 o 16.46627 6.922508 14.20825       18.92373 18.41100       25.07777 8.650254       28.83910 17.88143 7.752357 16.84660 7.723677 1.034826       10.94323 
1 1 1 -33 7  15 o 16.88200 7.028089 16.00809       19.21975 16.32964       25.43860 15.58040       29.33826 17.54425 7.702760 17.78344 8.008862 -0.2391834     11.11190 
1 1 1 -33 7  16 o 14.79904 6.566341 5.969369       18.95519 15.52785       25.32464 -6.207548      28.58364 17.37632 7.655220 15.09900 7.166545 2.277324       10.48627 
1 1 1 -33 7  17 o 12.34869 5.841144 -9.372080      18.67943 -2.485080      24.90541 -18.22760      28.24136 14.74839 6.903440 13.87200 6.721865 0.8763866      9.635402 
1 1 1 -33 7  18 o 12.41887 5.873460 -9.134330      18.87342 12.00897       25.34757 -35.44082      28.27361 16.71880 7.493699 12.56927 6.217733 4.149529       9.737337 
1 1 1 -33 7  19 o 16.92171 7.084787 16.47915       19.69609 20.07567       26.34037 11.91782       29.66380 18.08014 7.890409 17.18948 7.863023 0.8906574      11.13938 
1 1 1 -33 7  20 o 18.35738 7.353154 22.60061       20.06483 -2.706371      27.90354 49.69701       28.87321 15.27153 7.198008 23.65020 9.005664 -8.378671      11.52880 
1 1 1 -33 7  21 f 15.63389 6.883403 9.666687       20.44653 38.36210       28.45825 -20.95115      29.39607 21.25171 8.668462 13.83879 6.740513 7.412914       10.98074 
1 1 1 -33 7  22 o 17.61573 7.369953 19.75858       21.28995 14.37455       29.31203 25.77034       30.97371 17.32896 7.884234 18.96216 8.404680 -1.633200      11.52388 
1 1 1 -33 7  23 o 12.02938 5.823643 -18.05052      21.07388 0.7508956      28.83819 -39.59674      30.87154 15.67394 7.365835 12.83213 6.373693 2.841806       9.740610 
1 1 1 -33 7  24 o 19.13980 8.028502 27.44519       25.36527 27.70160       29.98479 26.80000       47.56454 19.15402 8.387455 19.31220 9.188704 -0.1581764     12.44113 
1 1 1 -33 7  25 o 15.33263 7.082744 3.639688       24.90010 17.06909       29.97333 -26.27000      44.73142 17.65248 8.008288 15.73774 7.791504 1.914734       11.17319 
1 1 1 -33 7  26 o 30.40615 7.662314 67.54221       22.79248 72.59978       31.68068 62.11562       32.81618 27.53149 9.587296 24.84719 9.565869 2.684298       13.54334 
1 1 1 -33 7  27 o 15.83788 7.025569 10.66464       21.68612 17.27681       30.94998 4.287404       30.39517 17.68371 8.067202 16.14457 7.579133 1.539139       11.06901 
1 1 1 -33 7  28 o 16.63978 7.362426 14.74041       23.66643 -10.26000      36.89811 32.21389       30.84752 15.59566 7.586203 19.57766 8.541485 -3.982000      11.42398 
1 1 1 -33 7  29 o 10.42807 5.228374 -45.05478      22.99923 -87.08000      34.78655 -12.41849      30.65538 11.35543 5.776075 14.49397 7.018485 -3.138543      9.089674 
1 1 1 -33 7  30 o 21.02718 8.370352 38.45266       25.83832 52.88612       30.24429 -0.5442000     49.71334 23.22341 9.114714 17.29082 8.493623 5.932583       12.45872 
1 1 1 -33 7  31 o 13.49208 6.375505 -4.809691      22.14792 -29.09528      30.00590 24.25846       32.82774 13.03353 6.439687 18.17662 8.298283 -5.143092      10.50386 
1 1 1 -33 7  32 o 14.62322 6.765970 3.754481       22.85774 4.528207       31.44397 2.887444       33.28608 15.83268 7.515296 15.87198 7.589067 -0.3930569E-01 10.68052 
1 1 1 -33 7  33 o 15.19633 6.933737 8.865979       22.87724 20.87331       31.89273 -3.860891      32.83442 17.37333 8.022005 15.08467 7.294659 2.288666       10.84272 
1 1 1 -33 7  34 o 18.37353 8.036064 29.99224       27.45249 22.38000       48.18808 33.64992       33.40303 17.57070 8.574074 18.60670 8.446273 -1.036003      12.03554 
1 1 1 -33 7  35 o 19.40598 8.348701 37.82686       28.64595 24.08000       49.89870 44.58454       34.98537 17.53725 8.593094 19.69985 8.818796 -2.162605      12.31310 
1 1 1 -33 8  1  o 29.00471 7.412524 57.02985       21.12090 72.61557       28.21977 37.18000       31.84701 30.72303 8.883116 21.76842 9.053329 8.954611       12.68355 
1 1 1 -33 8  2  o 40.37762 5.193131 93.98161       20.04998 45.51136       28.74469 139.9094       27.98065 23.67486 8.992554 48.05738 6.084443 -24.38252      10.85755 
1 1 1 -33 8  3  o 48.81277 4.595883 132.7509       21.70039 97.18468       31.39645 165.2827       30.02729 35.89980 8.962867 52.44775 5.954273 -16.54795      10.76041 
1 1 1 -33 8  4  o 34.78746 5.936196 73.11713       19.48852 48.77741       28.32271 95.00366       26.85748 24.45834 8.998873 37.62844 7.554664 -13.17011      11.74958 
1 1 1 -33 8  5  o 19.75553 7.216501 25.96077       18.16312 10.19021       25.83817 41.36648       25.53754 17.00788 7.598716 23.12309 8.538443 -6.115206      11.43003 
1 1 1 -33 8  6  o 24.76636 7.435695 42.58952       19.46419 50.67586       27.42409 34.38124       27.63012 25.03185 8.902965 21.33143 8.599389 3.700413       12.37789 
1 1 1 -33 8  7  o 22.17544 7.435953 34.42133       19.02051 35.75896       25.99370 32.87961       27.90615 21.66149 8.465202 20.96083 8.570975 0.7006569      12.04663 
1 1 1 -33 8  8  o 17.37199 7.040361 17.42595       18.62988 26.37574       25.61129 7.369084       27.14916 19.65353 8.141440 16.69315 7.592157 2.960384       11.13211 
1 1 1 -33 8  9  o 11.51115 5.574066 -19.73557      19.33521 -39.64188      24.28530 14.73000       31.95515 11.41180 5.665637 18.18429 8.257155 -6.772491      10.01399 
1 1 1 -33 8  10 o 21.54167 8.237268 35.27848       24.22149 -9.729000      44.38969 54.36050       28.90360 17.26078 8.378780 25.27824 9.122200 -8.017452      12.38622 
1 1 1 -33 8  11 o 34.36174 6.317791 74.13396       20.46660 48.32053       27.95007 103.9767       30.05242 23.96931 8.917456 37.79966 8.345860 -13.83035      12.21370 
1 1 1 -33 8  12 o 49.55620 4.728767 139.4149       22.66002 127.4347       30.75308 153.6456       33.51729 43.20807 7.545828 47.69385 7.420866 -4.485786      10.58342 
1 1 1 -33 8  13 o 18.78755 7.365547 23.88601       19.73138 48.84892       26.40071 -7.702144      29.69821 24.20793 8.720598 15.18070 7.233564 9.027236       11.33019 
1 1 1 -33 8  14 o 38.73156 5.962771 92.40734       21.88164 88.64801       29.60594 96.93327       32.48463 33.54392 8.879229 34.16570 9.413398 -0.6217804     12.94035 
1 1 1 -33 8  15 o 39.37729 5.772398 94.41105       21.58848 69.51969       28.68951 126.9043       32.77899 28.73518 9.099525 41.64735 8.332018 -12.91217      12.33790 
1 1 1 -33 8  16 o 17.75366 7.189218 20.11224       19.40804 10.39676       25.78002 32.82177       29.48601 16.57322 7.481706 20.29221 8.591676 -3.718990      11.39266 
1 1 1 -33 8  17 o 11.62739 5.606432 -16.34203      19.05235 -22.80115      25.49051 -8.166223      28.67857 12.82585 6.253713 14.82162 7.075171 -1.995766      9.442826 
1 1 1 -33 8  18 o 34.22299 6.613958 76.33372       21.35392 48.49125       28.92211 109.7002       31.66148 23.31850 8.979596 37.65841 8.755782 -14.33990      12.54181 
1 1 1 -33 8  19 o 26.60833 7.688459 51.97218       21.14612 12.25951       28.62794 99.65706       31.37010 17.13983 7.795651 35.23882 9.048516 -18.09899      11.94353 
1 1 1 -33 8  20 o 12.96317 6.080523 -6.323693      19.49335 -16.20197      25.76834 6.892609       29.80580 13.47636 6.503466 16.59247 7.694170 -3.116111      10.07449 
1 1 1 -33 8  21 o 16.45779 7.103518 14.12742       20.86961 -12.62586      28.49676 45.07399       30.64879 14.30113 6.885789 22.14920 9.010359 -7.848072      11.34022 
1 1 1 -33 8  22 o 15.34304 6.868968 7.589386       21.22960 18.29685       29.07921 -4.630792      31.06549 17.83061 8.006481 15.46321 7.376538 2.367398       10.88655 
1 1 1 -33 8  23 o 17.22638 7.648007 16.13170       25.75356 32.74264       30.86954 -21.90000      46.70958 19.93682 8.622332 16.20429 8.011504 3.732527       11.76983 
1 1 1 -33 8  24 o 19.98570 8.214698 31.99568       25.80320 13.41131       30.39197 79.98000       48.83539 17.21593 7.906276 24.25706 10.66052 -7.041122      13.27237 
1 1 1 -33 8  25 o 20.61160 7.864086 33.31133       22.04464 33.74452       30.88924 32.86168       31.47055 20.02324 8.642275 19.86700 8.648118 0.1562405      12.22615 
1 1 1 -33 8  26 o 23.99670 8.090249 46.29514       22.51337 30.99039       31.64422 61.98203       32.03684 19.55291 8.587655 24.99697 9.493834 -5.444054      12.80159 
1 1 1 -33 8  27 o 18.76121 7.829495 26.08413       23.93795 18.42000       38.34810 30.97716       30.64088 18.13762 8.514254 19.48078 8.505764 -1.343155      12.03497 
1 1 1 -33 8  28 o 20.96275 7.914247 35.68039       22.18481 19.09055       31.01438 53.06275       31.74655 17.72428 8.081820 22.95667 9.230648 -5.232393      12.26869 
1 1 1 -33 8  29 o 16.49500 7.199474 15.11431       21.93479 2.359549       29.96344 29.84231       32.19790 15.72475 7.426012 19.12485 8.517553 -3.400098      11.30019 
1 1 1 -33 8  30 o 16.24497 7.319993 12.39912       24.54647 -5.792000      36.97091 26.73958       32.82554 15.79916 7.663980 18.62007 8.420563 -2.820914      11.38606 
1 1 1 -33 8  31 o 18.45998 7.916329 26.82075       25.60105 36.32233       30.13475 2.176000       48.53240 19.82801 8.546892 17.04886 8.378237 2.779148       11.96847 
1 1 1 -33 8  32 o 25.37725 8.228569 55.17575       23.35871 33.00058       31.44173 82.49110       34.89605 19.03666 8.451181 26.92591 9.974114 -7.889244      13.07308 
1 1 1 -33 8  33 o 13.61893 6.427579 -2.129990      22.38440 10.00164       30.34756 -16.60607      33.15047 16.00720 7.532958 14.12264 6.937047 1.884564       10.24051 
1 1 1 -33 8  34 o 16.65259 7.595697 18.53829       27.42491 15.55000       48.23186 19.96605       33.33889 17.10187 8.393790 17.00841 7.969649 0.9345245E-01  11.57458 
1 1 1 -33 9  1  o 60.40293 4.008337 197.6715       23.56484 163.1384       34.26773 228.6523       32.45736 49.89846 7.226131 62.71564 5.337944 -12.81718      8.983909 
1 1 1 -33 9  2  o 35.22451 5.922767 75.19324       19.69705 77.61823       29.27146 73.18653       26.62754 31.41558 9.036096 31.37661 8.472888 0.3897285E-01  12.38713 
1 1 1 -33 9  3  o 36.53782 5.753103 80.02820       19.89590 52.30150       28.77064 105.4402       27.54355 25.02358 9.091306 39.88772 7.324468 -14.86414      11.67475 
1 1 1 -33 9  4  o 48.82228 4.571528 133.1844       21.59262 96.28846       30.50086 170.2537       30.57240 35.83122 8.768990 52.98739 6.000015 -17.15617      10.62522 
1 1 1 -33 9  5  o 27.05036 7.240764 49.82764       19.55055 22.13871       27.05532 80.08606       28.28282 18.92268 8.126802 32.46284 8.717561 -13.54016      11.91809 
1 1 1 -33 9  6  o 36.16070 6.001345 79.84460       20.49748 53.69011       28.18998 109.1848       29.85748 25.38616 9.026692 39.51571 7.994175 -14.12956      12.05770 
1 1 1 -33 9  7  o 23.97736 7.464586 40.62960       19.38760 32.48805       26.62847 49.81408       28.28265 20.79323 8.420666 24.39039 8.989293 -3.597158      12.31726 
1 1 1 -33 9  8  o 23.67937 7.865203 41.40600       21.28838 15.73675       26.86699 84.71000       34.89606 17.77985 7.856711 30.45834 10.06827 -12.67848      12.77098 
1 1 1 -33 9  9  o 25.12856 8.413507 49.45451       24.35123 24.11000       44.78693 60.09148       29.01472 19.81320 9.268772 26.54278 9.178780 -6.729584      13.04454 
1 1 1 -33 9  10 o 29.87503 7.044769 59.85688       20.26337 25.57219       27.45609 100.8711       30.03005 19.31962 8.239298 36.87341 8.495131 -17.55379      11.83441 
1 1 1 -33 9  11 o 21.40699 7.560468 33.37046       19.74727 41.93281       26.61309 22.88065       29.45660 22.54326 8.630859 18.86451 8.285398 3.678743       11.96409 
1 1 1 -33 9  12 o 15.56505 6.786334 9.558476       19.44496 14.67174       26.11656 3.198089       29.12788 17.32852 7.697066 16.19970 7.543987 1.128820       10.77760 
1 1 1 -33 9  13 o 12.95438 6.050277 -5.694726      18.95563 -9.317769      25.13309 -0.9148989     28.86790 14.08462 6.695140 15.70111 7.375782 -1.616492      9.961278 
1 1 1 -33 9  14 o 21.05569 7.496984 32.29459       19.45124 54.50351       26.14552 4.765994       29.10888 25.63627 8.717949 16.34576 7.588002 9.290504       11.55770 
1 1 1 -33 9  15 o 13.64574 6.259000 -0.6399140     18.96734 10.00612       25.40908 -14.03809      28.50479 16.45673 7.428534 14.27679 6.877280 2.179938       10.12325 
1 1 1 -33 9  16 o 31.90166 6.977924 68.64232       21.18159 20.55019       28.42060 128.7336       31.76888 18.22986 8.066932 42.37491 7.951238 -24.14505      11.32685 
1 1 1 -33 9  17 o 10.81166 5.296301 -24.12597      18.91971 -13.53614      25.80823 -36.42903      27.81765 13.72631 6.594587 12.38921 6.135597 1.337102       9.007448 
1 1 1 -33 9  18 o 19.71597 7.490698 28.03296       19.94815 41.88541       27.23353 11.99659       29.30176 22.19535 8.667373 17.16295 7.837210 5.032406       11.68526 
1 1 1 -33 9  19 o 14.75488 6.680641 3.991394       20.73578 -11.67539      28.41620 21.83549       30.32658 14.45055 6.936600 18.53418 8.259658 -4.083624      10.78603 
1 1 1 -33 9  20 o 19.28034 7.654127 27.18997       21.54911 12.43618       29.52730 44.00265       31.52032 17.11346 7.834519 21.85609 9.040861 -4.742632      11.96315 
1 1 1 -33 9  21 o 14.82797 6.706262 4.932361       20.82600 14.60008       29.07118 -5.259628      29.84903 17.30978 7.866220 15.19586 7.243898 2.113917       10.69353 
1 1 1 -33 9  22 o 17.66858 7.696313 19.13916       24.95993 12.03227       29.33242 37.79000       47.51791 16.99806 7.791754 20.24336 9.494778 -3.245296      12.28260 
1 1 1 -33 9  23 o 14.33217 6.761328 -4.247561      24.72131 -21.43829      28.90250 42.61000       47.71754 13.58904 6.633116 20.54562 9.596940 -6.956574      11.66617 
1 1 1 -33 9  24 o 21.94786 7.947765 38.36314       21.96414 -6.653012      30.30016 88.20940       31.88431 15.08323 7.219685 31.31812 9.541369 -16.23489      11.96501 
1 1 1 -33 9  25 o 14.47595 6.645177 2.248066       21.43906 -9.205174      30.21887 13.85501       30.42097 14.81477 7.122260 17.21860 7.908438 -2.403828      10.64284 
1 1 1 -33 9  26 o 14.59673 6.784665 0.4700104      23.38559 19.58000       38.01536 -11.16440      29.66205 18.27051 8.544579 14.53014 7.003392 3.740363       11.04796 
1 1 1 -33 9  27 o 35.77986 6.910833 87.22499       23.32709 64.86229       32.84797 109.9772       33.13284 25.02236 9.586537 35.72061 9.363826 -10.69825      13.40086 
1 1 1 -33 9  28 o 13.42807 6.322259 -4.751469      21.42227 -1.353816      29.65337 -8.460305      30.98157 15.30061 7.272925 14.85303 7.158630 0.4475832      10.20497 
1 1 1 -33 9  29 o 13.40549 6.328726 -5.505161      21.73082 18.97810       29.89820 -32.92377      31.63975 17.61051 7.992808 13.20176 6.538986 4.408754       10.32683 
1 1 1 -33 9  30 o 19.13034 7.742774 29.20819       22.49895 50.83878       30.90702 4.824082       32.81530 22.31466 9.059113 16.10218 7.653058 6.212482       11.85904 
1 1 1 -33 9  31 o 20.54118 8.306220 38.29834       25.86599 19.93000       38.96778 52.76593       34.58349 17.71739 8.397156 21.76329 9.263144 -4.045906      12.50272 
1 1 1 -33 9  32 o 11.68267 5.800941 -32.45125      25.49441 -45.86644      30.16073 1.123000       47.71408 11.92377 5.979561 16.62115 8.195006 -4.697372      10.14462 
1 1 1 -33 9  33 o 14.33081 6.666617 3.840952       22.65226 -26.89101      30.69798 40.57867       33.56377 12.99490 6.437306 19.48751 8.686604 -6.492615      10.81184 
1 1 1 -33 9  34 o 15.53715 7.286489 9.020903       27.96973 45.00000       50.13517 -7.237281      33.70182 18.89433 9.106410 14.70473 7.174426 4.189602       11.59306 
1 1 1 -33 10 1  o 40.98682 5.172478 97.52183       20.29025 59.20095       30.06535 129.5728       27.49599 26.15076 9.319629 45.63439 6.325477 -19.48363      11.26353 
1 1 1 -33 10 2  o 35.76209 5.861248 77.57613       19.80712 55.24331       29.05692 96.96106       27.07135 25.47182 9.152203 37.68987 7.600654 -12.21806      11.89675 
1 1 1 -33 10 3  o 26.66772 7.088474 48.09639       18.81880 31.25261       27.19072 63.58281       26.07212 20.50220 8.430437 28.63257 8.607924 -8.130369      12.04859 
1 1 1 -33 10 4  o 38.26728 5.610348 87.40972       20.39082 58.70967       28.36534 118.1012       29.33293 26.48097 9.078732 41.94798 7.415109 -15.46700      11.72208 
1 1 1 -33 10 5  o 28.83644 7.063118 55.76201       19.77558 62.30117       27.84227 49.10445       28.09320 27.55090 8.987277 24.17584 8.950382 3.375059       12.68387 
1 1 1 -33 10 6  o 14.25016 6.510146 0.2463283      20.24915 -19.17905      25.62556 32.54000       33.04056 13.33817 6.448687 20.54993 8.903884 -7.211761      10.99385 
1 1 1 -33 10 7  o 11.91915 5.826184 -25.56911      22.52679 16.66000       41.80748 -42.84521      26.74058 18.95572 8.895658 11.83148 5.885882 7.124238       10.66660 
1 1 1 -33 10 8  o 25.03291 7.579520 45.16082       20.16296 31.04791       28.15085 60.02778       28.89310 20.26463 8.476181 26.41891 9.158326 -6.154278      12.47881 
1 1 1 -33 10 9  o 33.93590 6.620573 74.41944       21.20187 54.53893       29.00631 97.22599       31.06767 24.95733 9.119174 35.11365 8.998736 -10.15631      12.81158 
1 1 1 -33 10 10 o 14.96582 6.631259 6.512378       19.26651 0.1031696E-01  25.88307 14.59162       28.85198 15.29508 7.118904 17.58295 7.928288 -2.287870      10.65535 
1 1 1 -33 10 11 o 22.50155 7.667143 37.56215       20.22396 18.78214       26.98762 61.61672       30.54328 18.02735 7.923714 26.08674 9.382090 -8.059391      12.28043 
1 1 1 -33 10 12 o 23.91780 7.751277 42.66711       20.72907 6.073658       27.66906 89.48109       31.29539 16.30865 7.509361 32.76956 9.316982 -16.46091      11.96648 
1 1 1 -33 10 13 o 11.94460 5.714107 -13.35487      18.92194 -43.46820      25.38704 24.28282       28.38207 11.34751 5.659523 18.89664 8.219416 -7.549125      9.979428 
1 1 1 -33 10 14 o 13.34468 6.184708 -3.016309      19.21810 -5.049371      25.86623 -0.5110847     28.71317 14.61667 6.901789 15.61539 7.341933 -0.9987125     10.07664 
1 1 1 -33 10 15 o 36.22383 6.268260 83.39227       21.42106 54.75927       29.25101 116.5069       31.45703 24.56856 9.126020 39.46529 8.401183 -14.89673      12.40420 
1 1 1 -33 10 16 o 19.45429 7.500809 27.25204       20.19828 24.01510       27.33033 31.14780       29.98297 18.72670 8.105989 19.90377 8.551790 -1.177071      11.78305 
1 1 1 -33 10 17 o 16.14136 6.972610 12.48691       20.13970 23.06576       27.51128 0.2713920      29.56294 18.60636 8.092758 15.82644 7.443857 2.779922       10.99562 
1 1 1 -33 10 18 o 16.55838 7.163672 13.96174       21.32307 3.552857       29.63815 25.13029       30.70065 16.17728 7.558757 18.99937 8.396948 -2.822096      11.29794 
1 1 1 -33 10 19 o 14.31347 6.582618 0.9241993      21.17030 -45.78828      29.08293 53.57465       30.87612 12.06909 6.025338 23.77976 9.245108 -11.71068      11.03525 
1 1 1 -33 10 20 o 19.98555 7.750147 30.38639       21.65529 20.84031       29.97791 40.80391       31.31632 18.18548 8.150401 21.23101 8.914168 -3.045523      12.07855 
1 1 1 -33 10 21 o 14.14020 6.681106 -5.555626      24.31089 -5.491438      28.61883 -5.722000      46.07530 14.96466 7.122241 17.06606 8.339964 -2.101404      10.96728 
1 1 1 -33 10 22 f 14.42839 6.778065 -2.752378      24.38120 15.54070       29.00063 -46.85000      45.02685 17.34386 7.871837 14.76252 7.389056 2.581344       10.79648 
1 1 1 -33 10 23 o 11.60214 5.653407 -20.98337      20.73772 -43.44950      28.44927 4.488386       30.29259 12.00288 5.987135 16.16356 7.581141 -4.160674      9.660200 
1 1 1 -33 10 24 o 32.48215 7.341261 74.41924       22.79013 39.04941       31.61039 112.7054       32.88776 20.76396 8.847514 36.97309 9.140016 -16.20913      12.72079 
1 1 1 -33 10 25 o 16.72028 7.378080 14.78235       23.61362 26.67000       36.70653 6.389253       30.84299 18.96138 8.700848 16.38780 7.674559 2.573576       11.60188 
1 1 1 -33 10 26 o 16.49282 7.155772 15.13278       21.39973 -1.561010      30.38702 31.55850       30.14205 15.44014 7.345825 19.48732 8.473449 -4.047176      11.21430 
1 1 1 -33 10 27 o 15.34284 6.869079 8.969871       21.23194 6.499739       29.70145 11.55117       30.36246 16.11221 7.540872 16.74141 7.764084 -0.6291981     10.82339 
1 1 1 -33 10 28 o 15.29364 6.924918 7.710493       22.28317 -18.25011      31.30011 34.39017       31.73064 14.12225 6.895423 19.74548 8.637761 -5.623232      11.05250 
1 1 1 -33 10 29 o 20.64650 7.943578 35.42149       22.61916 23.96518       31.20687 48.10175       32.83157 18.17373 8.215323 21.62784 9.106796 -3.454119      12.26480 
1 1 1 -33 10 30 o 16.32961 7.216016 15.18029       22.66494 16.00199       30.89886 14.22323       33.34710 17.01239 7.869705 16.96885 7.957356 0.4353905E-01  11.19159 
1 1 1 -33 10 31 o 15.44586 7.006508 10.19890       22.93629 -12.19385      31.39772 35.82242       33.58642 14.29602 6.963887 19.26166 8.630301 -4.965645      11.08954 
1 1 1 -33 10 32 o 21.86205 8.541756 47.10569       26.46133 36.04000       41.46739 54.70688       34.36832 18.71128 8.805513 21.54670 9.204510 -2.835421      12.73813 
1 1 1 -33 10 33 o 14.50889 6.878757 1.630278       26.19105 -7.619534      31.43443 22.63000       47.36372 14.37162 6.993343 17.44473 8.509934 -3.073102      11.01480 
1 1 1 -33 10 34 o 15.51898 7.422901 7.540120       31.90498 -34.90000      42.53248 62.15000       48.24674 14.01206 7.037065 19.86529 9.393899 -5.853223      11.73736 
1 1 1 -33 11 1  o 25.56015 7.226129 45.32288       18.87926 7.191746       27.72532 78.28925       25.77936 16.57846 7.590384 32.85012 8.075244 -16.27166      11.08258 
1 1 1 -33 11 2  o 27.41505 7.048378 50.90051       19.01809 31.89001       28.03928 67.09757       25.88142 20.44170 8.497663 29.51507 8.499006 -9.073372      12.01846 
1 1 1 -33 11 3  o 21.27298 7.455319 32.41882       19.17525 16.50286       27.36676 47.76873       26.87571 17.82462 7.900344 23.95098 8.773654 -6.126354      11.80646 
1 1 1 -33 11 4  o 19.03922 7.337178 24.64001       19.31987 -21.47611      27.55529 69.22956       27.09537 13.55007 6.583056 29.53347 8.750620 -15.98340      10.95034 
1 1 1 -33 11 5  o 18.90079 7.544519 24.25824       21.04820 13.97874       27.02778 40.10000       33.55259 17.37421 7.766376 21.52455 9.141379 -4.150341      11.99506 
1 1 1 -33 11 6  o 18.05297 7.629370 20.14328       23.17935 -4.280000      43.95648 29.55062       27.28062 17.34197 8.399188 19.91609 8.338227 -2.574118      11.83522 
1 1 1 -33 11 7  o 17.65386 7.136127 19.45247       19.08418 28.01125       26.66063 10.45850       27.33004 19.60699 8.228129 16.85561 7.646874 2.751385       11.23284 
1 1 1 -33 11 8  o 14.15836 6.413626 2.056691       19.13887 20.84348       26.49824 -18.43259      27.67286 18.31791 7.955060 13.76993 6.667986 4.547981       10.38003 
1 1 1 -33 11 9  o 14.51882 6.526712 3.896981       19.38412 -9.625556      26.02243 20.75377       29.05401 14.23272 6.778843 18.44267 8.158945 -4.209949      10.60760 
1 1 1 -33 11 10 o 12.45304 5.898649 -9.901140      19.17433 -24.63287      25.51697 9.206233       29.06047 12.73565 6.220021 16.86789 7.740790 -4.132236      9.930181 
1 1 1 -33 11 11 o 14.74223 6.610174 4.919941       19.74254 -24.52430      26.20936 43.53996       30.01667 12.89942 6.300834 22.23503 8.963287 -9.335610      10.95632 
1 1 1 -33 11 12 o 19.23372 7.484943 26.27751       20.25375 6.965805       27.18103 50.38607       30.36976 16.26267 7.471613 23.45096 9.154246 -7.188286      11.81631 
1 1 1 -33 11 13 o 15.59971 6.816725 10.10259       19.71471 14.71317       27.03815 4.868848       28.80751 17.26062 7.737826 16.19617 7.528817 1.064447       10.79616 
1 1 1 -33 11 14 o 14.84521 6.621457 6.161510       19.53391 -5.425038      26.74282 19.41410       28.60095 14.71121 6.967666 18.04660 8.033118 -3.335392      10.63388 
1 1 1 -33 11 15 o 38.95160 5.976673 94.37168       22.06075 46.88877       29.64816 153.2721       33.02086 22.78205 8.998984 47.28931 7.374245 -24.50726      11.63448 
1 1 1 -33 11 16 f 15.49256 6.894237 8.212605       21.05052 -16.99435      29.36166 34.87200       30.19573 14.16257 6.860578 20.52579 8.692694 -6.363220      11.07386 
1 1 1 -33 11 17 f 18.65732 7.589047 24.15871       21.73948 0.3750467      30.18319 49.79683       31.33783 15.89875 7.491373 23.08743 9.209043 -7.188676      11.87127 
1 1 1 -33 11 18 o 11.96518 5.787481 -17.48135      20.69812 -3.576797      28.74430 -32.45508      29.82895 15.18712 7.202047 13.04223 6.439658 2.144892       9.661195 
1 1 1 -33 11 19 o 10.25948 5.122939 -39.60156      21.07000 -39.22807      29.76774 -39.97655      29.82731 12.57765 6.249222 12.54575 6.237078 0.3189373E-01  8.829151 
1 1 1 -33 11 20 o 17.80149 7.776075 19.78281       25.63433 19.55942       30.42015 20.33000       47.61019 18.03162 8.134809 18.85660 9.032283 -0.8249798     12.15554 
1 1 1 -33 11 21 o 19.47234 8.091258 29.51247       25.40604 20.18826       30.12111 52.50000       47.29456 18.01984 8.115195 21.42189 9.846975 -3.402052      12.76007 
1 1 1 -33 11 22 o 14.79241 6.718867 4.711387       21.17634 -6.529028      29.59854 16.49856       30.30986 14.95493 7.152152 17.53772 7.993958 -2.582784      10.72645 
1 1 1 -33 11 23 o 29.26043 7.786478 63.96454       22.69126 6.049717       31.51324 126.3245       32.70024 16.43196 7.715068 40.55992 8.508578 -24.12796      11.48556 
1 1 1 -33 11 24 o 18.54325 7.777139 24.88497       23.79650 35.38000       37.48373 17.79941       30.79908 19.93700 9.008880 17.68847 8.060952 2.248533       12.08879 
1 1 1 -33 11 25 o 17.90201 7.447581 22.09432       21.56114 11.66675       29.89513 33.39841       31.12624 16.80843 7.763137 19.76935 8.603207 -2.960922      11.58799 
1 1 1 -33 11 26 o 16.81712 7.233329 17.16381       21.49401 15.88901       29.96503 18.51488       30.84847 17.21619 7.885606 17.59298 8.036555 -0.3767929     11.25917 
1 1 1 -33 11 27 o 20.37916 7.836070 33.60474       22.00192 38.41019       30.66945 28.50925       31.58141 20.39486 8.703286 18.87148 8.418161 1.523376       12.10837 
1 1 1 -33 11 28 o 16.43682 7.178043 15.20089       21.83043 -13.88858      29.67337 49.52050       32.23073 14.14209 6.861537 22.05027 9.133615 -7.908186      11.42382 
1 1 1 -33 11 29 o 15.79751 7.033745 12.29121       21.94147 0.8400684      29.68551 26.08029       32.57526 15.31174 7.277829 18.28974 8.317523 -2.978002      11.05206 
1 1 1 -33 11 30 o 25.00907 8.197429 53.54206       23.15056 20.19489       31.71421 91.58112       33.87188 17.41599 8.026577 29.48824 9.923355 -12.07225      12.76319 
1 1 1 -33 11 31 o 14.32400 6.643661 3.589408       22.24034 -13.50117      30.81867 22.16221       32.12730 14.01412 6.842532 17.44277 8.053136 -3.428647      10.56756 
1 1 1 -33 11 32 o 16.10162 7.225411 15.95088       23.63984 -14.26240      33.63007 45.46199       33.23697 14.20934 6.981122 20.09664 8.814563 -5.887297      11.24422 
1 1 1 -33 11 33 o 18.44161 7.725871 29.66908       23.44366 44.51400       32.98713 14.51929       33.32413 19.88454 8.749440 16.39417 7.768636 3.490364       11.70062 
1 1 1 -33 12 1  o 19.61577 7.178621 26.78352       17.98536 -12.94244      25.98056 63.34021       24.92268 13.89315 6.659435 28.60649 8.370422 -14.71334      10.69636 
1 1 1 -33 12 2  o 19.61491 7.335232 27.06761       18.95983 -8.746635      26.40376 65.19302       27.24239 14.40170 6.850548 28.13514 8.861580 -13.73344      11.20079 
1 1 1 -33 12 3  o 16.45021 7.075186 13.39741       20.56263 10.91534       26.40771 17.22000       32.77198 16.77753 7.573246 18.20358 8.303170 -1.426046      11.23818 
1 1 1 -33 12 4  o 24.50254 8.365024 48.02150       24.07517 64.38000       46.21285 41.92797       28.20495 23.53601 10.35604 22.19856 8.774495 1.337444       13.57348 
1 1 1 -33 12 5  f 24.93292 7.563571 45.23536       20.06501 24.48268       28.70684 65.05872       28.05674 18.98700 8.262423 27.75724 9.019533 -8.770243      12.23191 
1 1 1 -33 12 6  o 16.67098 7.039098 15.01625       19.70292 21.28211       28.41177 9.211234       27.34699 18.47247 8.124353 16.65453 7.592086 1.817938       11.11957 
1 1 1 -33 12 7  o 35.03090 6.393304 78.27024       21.11462 62.14178       29.60462 94.96881       30.12330 26.43483 9.263569 34.84778 8.823784 -8.412956      12.79347 
1 1 1 -33 12 8  o 31.67610 6.965451 67.23880       21.00775 41.78566       29.00261 95.33383       30.47061 22.03423 8.835491 34.72345 8.918716 -12.68922      12.55426 
1 1 1 -33 12 9  o 20.26079 7.587524 30.13419       20.30128 51.23296       27.55787 5.095799       30.02066 24.28832 8.886379 16.43944 7.656670 7.848883       11.72998 
1 1 1 -33 12 10 o 24.67483 7.702942 45.46225       20.63026 18.68418       27.63170 79.19066       31.01102 17.91584 7.939752 29.93701 9.458049 -12.02118      12.34886 
1 1 1 -33 12 11 o 35.19071 6.644796 80.99955       22.04968 84.40405       30.34423 77.19078       32.09531 31.56566 9.236032 28.87248 9.658989 2.693174       13.36414 
1 1 1 -33 12 12 o 16.01297 7.267097 8.150375       24.70875 -14.35400      27.54083 101.0000       55.94144 13.98901 6.744013 25.71783 11.35191 -11.72882      13.20407 
1 1 1 -33 12 13 o 21.29684 7.718130 34.45113       20.71859 30.67221       28.53898 38.66214       30.12644 19.81301 8.423256 21.12845 8.797752 -1.315443      12.17997 
1 1 1 -33 12 14 o 27.54408 7.688087 55.66805       21.51400 32.99531       29.87994 80.07534       31.00184 20.18967 8.602345 30.10047 9.449511 -9.910793      12.77864 
1 1 1 -33 12 15 o 19.62844 7.707580 28.34774       21.63605 17.23986       30.63853 39.39702       30.55761 17.89357 8.109311 21.25446 8.856169 -3.360889      12.00803 
1 1 1 -33 12 16 o 17.47207 7.391337 18.74356       21.79176 -3.144099      30.46303 41.68257       31.18608 15.54971 7.385645 21.53135 8.957155 -5.981633      11.60941 
1 1 1 -33 12 17 o 17.74196 7.453969 20.46885       21.91862 19.85771       30.35599 21.13453       31.68171 18.06240 8.139476 18.29365 8.272787 -0.2312469     11.60561 
1 1 1 -33 12 18 o 18.07228 7.534184 22.15552       22.13256 30.50169       31.08254 13.57145       31.52243 19.54960 8.550653 17.33467 7.993831 2.214935       11.70534 
1 1 1 -33 12 19 o 13.75452 6.597807 -11.66238      25.60594 -25.40532      30.37875 22.06000       47.58710 13.60756 6.675244 18.94676 9.063257 -5.339196      11.25618 
1 1 1 -33 12 20 o 19.52628 8.170727 30.08577       26.17477 41.49326       31.37851 3.990000       47.45942 21.19455 8.912415 17.62761 8.581164 3.566940       12.37205 
1 1 1 -33 12 21 o 13.57976 6.361917 -3.940082      21.22822 -16.19393      29.04692 10.10783       31.10066 13.99958 6.791537 16.82805 7.822609 -2.828466      10.35945 
1 1 1 -33 12 22 f 14.24994 6.591070 0.4781327      21.66467 21.80846       30.88750 -20.17787      30.39535 18.20805 8.207294 13.92935 6.799889 4.278698       10.65824 
1 1 1 -33 12 23 o 15.23856 6.988299 5.128426       23.63020 -6.590000      38.18560 12.40087       30.08189 16.06783 7.793033 16.95809 7.816171 -0.8902588     11.03739 
1 1 1 -33 12 24 o 11.91884 5.787636 -18.63798      21.22733 -27.70839      30.26078 -9.850644      29.78484 13.32828 6.562760 14.61332 7.037015 -1.285042      9.622338 
1 1 1 -33 12 25 o 17.44680 7.381588 20.37990       21.73891 39.41571       30.36151 0.3551321      31.14020 20.61744 8.723321 15.64383 7.440903 4.973610       11.46575 
1 1 1 -33 12 26 o 15.82792 7.048208 11.51927       22.03920 8.715711       30.48177 14.59037       31.90306 16.38178 7.657996 17.14456 7.953665 -0.7627869     11.04109 
1 1 1 -33 12 27 o 30.51918 7.745545 70.02866       23.17352 38.05196       31.92302 105.6500       33.69320 20.21090 8.754512 33.93830 9.673285 -13.72740      13.04661 
1 1 1 -33 12 28 o 20.23694 7.877342 34.20979       22.43748 37.80527       31.07082 30.29142       32.43595 19.98166 8.646061 18.84366 8.459106 1.137997       12.09590 
1 1 1 -33 12 29 o 21.69783 8.064703 40.98775       22.84976 47.41516       31.77789 34.10716       32.87913 21.27229 8.958411 19.17496 8.568997 2.097321       12.39681 
1 1 1 -33 12 30 o 12.91373 6.170157 -7.815859      21.91833 -4.727414      30.19900 -11.25387      31.86224 14.65740 7.065174 14.36632 7.001929 0.2910881      9.947044 
1 1 1 -33 12 31 o 14.53122 6.711320 5.756727       22.34221 29.38273       31.11516 -19.39043      32.10121 18.13936 8.201183 13.69383 6.745965 4.445530       10.61920 
1 1 1 -33 12 32 o 17.51795 7.515190 24.73058       23.08844 9.011730       31.77894 42.30379       33.60118 15.78613 7.510931 19.51749 8.696250 -3.731358      11.49082 
1 1 1 -33 13 1  o 14.12887 6.571586 -2.547733      21.99684 6.376631       25.90246 -25.63000      41.65734 16.05087 7.344235 15.63439 7.698611 0.4164877      10.63985 
1 1 1 -33 13 2  o 10.78411 5.329775 -31.27851      20.60504 -44.42174      25.65198 -7.376000      34.59327 11.36259 5.670474 15.90662 7.640219 -4.544035      9.514579 
1 1 1 -33 13 3  o 34.65605 7.456777 83.29031       24.54449 22.18000       45.69334 108.0739       29.09900 19.28094 9.124827 38.91539 7.909187 -19.63445      12.07550 
1 1 1 -33 13 4  o 43.15376 5.302184 110.3244       21.92627 76.21688       30.86647 145.0666       31.15237 29.35877 9.453837 46.69733 7.033514 -17.33856      11.78327 
1 1 1 -33 13 5  o 30.71451 7.008753 63.84108       20.60469 61.83619       29.60799 65.72390       28.69243 26.22510 9.258027 27.52497 9.130714 -1.299871      13.00312 
1 1 1 -33 13 6  o 25.72775 7.499059 48.02687       20.03780 33.15132       28.43293 62.70486       28.24349 20.31954 8.510191 26.86642 9.061519 -6.546877      12.43119 
1 1 1 -33 13 7  f 12.26598 5.839390 -11.23044      19.26367 -31.18780      27.32201 8.497560       27.16456 12.61969 6.218114 16.42690 7.518075 -3.807214      9.756351 
1 1 1 -33 13 8  o 19.19261 7.461251 26.30515       20.10950 39.25473       28.14524 12.80024       28.74240 21.43728 8.665937 17.14466 7.803057 4.292624       11.66131 
1 1 1 -33 13 9  o 18.92003 7.453121 25.35857       20.28734 24.08873       28.04272 26.75295       29.38563 18.69550 8.150478 19.13871 8.343532 -0.4432125     11.66383 
1 1 1 -33 13 10 o 22.56165 7.776093 39.02264       20.81780 43.30993       28.80154 34.33241       30.12464 22.12102 8.826873 20.34682 8.652289 1.774206       12.36025 
1 1 1 -33 13 11 o 34.88902 6.630476 79.70168       21.81576 74.15981       30.14077 85.79946       31.61639 28.90156 9.345152 31.18932 9.501012 -2.287766      13.32671 
1 1 1 -33 13 12 o 17.79179 7.327477 20.47701       20.58382 16.01263       28.44975 25.38122       29.81828 17.53704 7.893248 18.95678 8.330680 -1.419741      11.47622 
1 1 1 -33 13 13 o 14.17048 6.530659 -0.7359058E-01 20.99290 -12.56884      29.84341 12.16546       29.53587 14.60435 7.035533 17.13935 7.842338 -2.535001      10.53570 
1 1 1 -33 13 14 o 20.99549 7.942297 34.30819       22.36783 -13.37013      31.37625 83.57902       31.89594 14.79757 7.149731 30.49305 9.586492 -15.69548      11.95907 
1 1 1 -33 13 15 o 13.09469 6.221942 -9.320083      21.66030 -25.83731      30.85697 6.724672       30.41245 13.69229 6.719002 16.49133 7.689393 -2.799035      10.21135 
1 1 1 -33 13 16 o 29.79619 7.944647 66.89214       23.59348 37.19094       33.91102 94.75850       32.84687 20.42070 8.931454 32.47855 9.637591 -12.05785      13.13979 
1 1 1 -33 13 17 o 26.29091 8.987380 61.29994       27.79264 56.47535       32.85042 73.45000       52.13148 23.75664 9.444190 23.08713 10.50810 0.6695080      14.12844 
1 1 1 -33 13 18 o 19.88057 8.260806 31.85542       26.48157 36.44353       31.33531 20.39000       49.53497 20.40794 8.755032 18.82303 9.066927 1.584902       12.60396 
1 1 1 -33 13 19 o 14.46625 6.838856 -4.039536      25.53670 -28.19396      30.45100 53.21000       46.88018 13.37143 6.583880 21.42107 9.830801 -8.049634      11.83183 
1 1 1 -33 13 20 o 26.92968 8.082088 57.01678       22.99866 24.23841       32.54865 89.70010       32.50143 18.57423 8.393824 31.17824 9.658124 -12.60401      12.79592 
1 1 1 -33 13 21 o 16.95111 7.452127 16.21651       23.88158 6.548000       38.53979 22.24310       30.42743 17.10160 8.174020 18.22035 8.185043 -1.118748      11.56761 
1 1 1 -33 13 22 o 22.49233 8.354966 43.17669       24.51722 20.64000       39.40455 57.41199       31.31734 18.35839 8.621947 24.06607 9.323503 -5.707687      12.69904 
1 1 1 -33 13 23 o 16.76278 7.232586 16.43794       21.61984 9.999290       30.71958 22.75684       30.43259 16.67954 7.760674 18.22472 8.186476 -1.545183      11.28036 
1 1 1 -33 13 24 o 29.84719 7.770119 67.30016       22.91863 42.61586       31.59501 94.71305       33.29549 20.99642 8.891906 31.47210 9.779708 -10.47568      13.21774 
1 1 1 -33 13 25 o 15.57957 6.984156 10.08342       22.02704 22.34245       30.52670 -3.232258      31.81510 17.99019 8.129503 15.35898 7.363988 2.631216       10.96892 
1 1 1 -33 13 26 o 17.82169 7.527187 22.42911       22.54085 21.55738       31.54733 23.33831       32.21841 17.92372 8.164341 18.16326 8.264619 -0.2395420     11.61725 
1 1 1 -33 13 27 o 13.56055 6.388953 -3.590321      21.94296 -24.59251      29.98297 20.63192       32.19954 13.29611 6.544121 17.66028 8.120477 -4.364178      10.42917 
1 1 1 -33 13 28 o 16.36219 7.188455 15.97025       22.18782 7.931449       31.12477 24.27642       31.63815 16.08194 7.586750 17.93407 8.171773 -1.852131      11.15063 
1 1 1 -33 13 29 o 25.02504 8.245827 54.65510       23.41265 21.79629       32.63903 89.48344       33.60298 17.48264 8.087601 28.82475 9.881463 -11.34211      12.76921 
1 1 1 -33 13 30 o 18.03238 7.623076 26.66292       23.15313 -3.769858      31.96780 60.23963       33.57848 14.82935 7.177591 22.49103 9.319987 -7.661681      11.76350 
1 1 1 -33 13 31 o 16.93020 7.396636 21.69697       23.20160 2.482332       32.38593 41.95716       33.25538 15.22316 7.332496 19.44226 8.657770 -4.219099      11.34559 
1 1 1 -33 13 32 o 11.81498 5.860079 -27.85994      25.73813 -40.15136      31.33352 -2.362000      45.12951 12.18760 6.109427 15.70979 7.786228 -3.522182      9.896992 
1 1 1 -33 14 1  o 22.66836 8.178662 41.33691       23.23217 17.88000       44.29758 50.23681       27.28583 18.69563 8.887410 23.95775 8.829524 -5.262125      12.52783 
1 1 1 -33 14 2  o 23.86342 7.985453 44.42612       21.93680 43.51000       37.46859 44.90393       27.05933 21.33486 9.358231 22.76544 8.706149 -1.430586      12.78176 
1 1 1 -33 14 3  o 28.28337 8.310213 62.67783       24.52178 49.89975       28.78596 96.48000       46.81877 23.52238 8.983556 27.27442 11.12101 -3.752045      14.29620 
1 1 1 -33 14 4  o 17.20163 7.105394 18.18735       19.43151 15.74439       28.09779 20.42677       26.90181 17.44716 7.849261 18.06177 7.925852 -0.6146030     11.15482 
1 1 1 -33 14 5  o 11.15830 5.428041 -20.10826      18.89764 -50.23753      26.71593 10.06330       26.73468 11.24685 5.638338 16.51618 7.520346 -5.269337      9.399281 
1 1 1 -33 14 6  o 15.44962 6.764095 9.729967       19.49336 22.84848       28.07421 -2.482882      27.08780 18.47846 8.103065 15.05103 7.093445 3.427432       10.76924 
1 1 1 -33 14 7  o 27.13033 7.660437 54.20588       21.23045 49.77028       29.60999 58.89877       30.45669 23.29673 9.054617 25.07260 9.312399 -1.775873      12.98872 
1 1 1 -33 14 8  o 17.72280 7.251613 20.37998       19.99205 23.80063       27.93711 16.78973       28.62136 18.63185 8.128710 17.62691 7.926771 1.004946       11.35384 
1 1 1 -33 14 9  o 14.36841 6.530484 2.791183       20.04537 7.813738       28.57067 -2.078087      28.13131 16.46261 7.598361 15.27973 7.209643 1.182875       10.47445 
1 1 1 -33 14 10 o 12.80382 6.049174 -8.229832      19.92178 -22.94239      27.78444 7.336991       28.57969 13.31906 6.501816 16.42300 7.587002 -3.103938      9.991807 
1 1 1 -33 14 11 o 14.69562 6.640359 4.372019       20.36400 -2.966623      28.35626 12.18763       29.26325 15.23671 7.204117 17.09505 7.816018 -1.858333      10.62965 
1 1 1 -33 14 12 o 26.47440 7.943912 53.46407       22.22058 59.35783       31.65057 47.73563       31.20350 24.85744 9.437457 22.61933 9.131465 2.238111       13.13199 
1 1 1 -33 14 13 o 20.36543 7.826078 32.03187       21.93668 6.214425       31.50299 56.33415       30.56460 16.55493 7.753925 24.34294 9.266583 -7.788004      12.08275 
1 1 1 -33 14 14 o 11.83200 5.759111 -20.50550      21.35797 -6.514235      30.60715 -33.78439      29.81779 15.13997 7.249344 12.90674 6.384777 2.233235       9.660143 
1 1 1 -33 14 15 o 17.21833 7.398184 17.94515       22.44060 6.842560       32.00785 28.67813       31.47058 16.60270 7.788929 19.22530 8.498972 -2.622599      11.52822 
1 1 1 -33 14 16 o 20.86923 8.501452 37.25007       27.32961 39.27563       32.22434 32.06000       51.58196 20.80702 8.901265 19.66571 9.414932 1.141308       12.95660 
1 1 1 -33 14 17 o 16.77220 7.565722 13.46602       26.30365 24.77125       31.20564 -14.28000      48.88703 18.62321 8.333404 16.67562 8.235592 1.947586       11.71625 
1 1 1 -33 14 18 o 15.36424 6.959466 7.220612       22.53115 -5.765063      32.06518 19.88520       31.66627 15.35376 7.369730 17.97225 8.183838 -2.618488      11.01309 
1 1 1 -33 14 19 o 15.91665 7.061896 11.24946       21.92165 16.79366       31.47105 6.023971       30.55311 17.58286 8.063906 16.28470 7.630178 1.298157       11.10163 
1 1 1 -33 14 20 o 20.95628 8.206354 36.76704       24.46969 49.76000       39.62109 28.75548       31.11221 21.48326 9.514785 19.10007 8.446707 2.383186       12.72313 
1 1 1 -33 14 21 o 18.64747 7.836334 25.79076       24.23436 -4.341000      38.89828 44.90617       30.98203 16.25827 7.880686 21.68127 8.965446 -5.423006      11.93668 
1 1 1 -33 14 22 o 23.82333 8.075904 46.38428       22.43453 21.42445       31.76461 71.22693       31.68995 18.05640 8.212177 26.80549 9.566461 -8.749094      12.60782 
1 1 1 -33 14 23 o 17.52005 7.427344 20.90353       22.08247 6.690538       30.88280 35.77282       31.58778 16.19991 7.615979 19.87806 8.658414 -3.678158      11.53132 
1 1 1 -33 14 24 o 16.52383 7.189942 15.90051       21.73425 26.33223       30.20336 4.697743       31.29968 18.49723 8.243049 16.01223 7.570191 2.485004       11.19177 
1 1 1 -33 14 25 o 16.89658 7.300524 17.79180       22.08857 27.82357       30.39709 6.567780       32.15271 18.70902 8.307447 16.28613 7.691543 2.422892       11.32137 
1 1 1 -33 14 26 o 15.52272 6.975180 10.40110       22.11455 -11.24810      30.33639 34.95244       32.30581 14.34485 6.954709 19.48063 8.611468 -5.135781      11.06912 
1 1 1 -33 14 27 o 16.57793 7.236587 17.26924       22.16757 28.49771       30.27399 4.289903       32.54884 18.47298 8.241123 15.85709 7.560584 2.615893       11.18385 
1 1 1 -33 14 28 o 21.68254 8.016459 41.38398       22.52279 8.526080       31.46617 75.90453       32.25246 16.02207 7.579455 26.39449 9.620296 -10.37243      12.24738 
1 1 1 -33 14 29 o 22.67297 8.182631 46.87409       23.25672 70.76492       33.09731 23.57269       32.68647 24.59707 9.569341 17.47809 8.088296 7.118986       12.52968 
1 1 1 -33 14 30 o 19.24815 7.826142 33.62407       23.10778 -0.6839374     32.35202 69.35651       33.01680 14.95503 7.234123 23.91370 9.480490 -8.958676      11.92528 
1 1 1 -33 14 31 o 15.41493 7.027371 12.48529       23.43396 18.84646       33.07299 6.071821       33.20867 16.67079 7.851030 15.51760 7.461728 1.153184       10.83125 
1 1 1 -33 15 1  o 14.02920 6.357134 2.423571       18.82115 -26.15228      27.24705 28.50158       26.02898 12.93483 6.340414 19.42791 8.140011 -6.493084      10.31798 
1 1 1 -33 15 2  o 27.22550 7.310287 52.68514       19.88987 30.54715       28.37096 74.08228       27.89220 19.73900 8.395349 29.89201 8.883751 -10.15301      12.22305 
1 1 1 -33 15 3  o 21.70305 7.878608 36.68542       21.60121 55.70000       35.57902 25.58454       27.18501 23.31551 9.621132 18.89638 8.131286 4.419127       12.59698 
1 1 1 -33 15 4  o 13.14430 6.317253 -14.01078      23.73225 -33.25737      27.95614 35.64000       44.90176 12.59009 6.219714 20.17594 9.385832 -7.585847      11.25960 
1 1 1 -33 15 5  o 20.30048 8.045993 32.17168       23.77546 16.71352       27.97099 72.42000       45.13389 17.56262 7.871926 24.21666 10.44938 -6.654043      13.08269 
1 1 1 -33 15 6  o 17.37084 7.251367 18.65632       20.54213 6.971017       28.76759 30.81364       29.34286 16.38686 7.584937 19.77845 8.478303 -3.391590      11.37598 
1 1 1 -33 15 7  o 20.23726 7.645998 30.66690       20.71518 -7.309721      28.96529 70.42706       29.63765 14.89873 7.111559 28.13719 9.277782 -13.23846      11.68980 
1 1 1 -33 15 8  o 17.08479 7.180152 17.38893       20.34798 -2.130811      28.90436 36.56680       28.65012 15.39741 7.278090 20.81402 8.615502 -5.416614      11.27819 
1 1 1 -33 15 9  o 16.18630 7.044598 12.63037       20.87390 9.600837       30.58502 15.27189       28.55927 16.88746 7.818123 17.40104 7.863231 -0.5135784     11.08844 
1 1 1 -33 15 10 o 16.95933 7.165592 16.96086       20.43948 5.919588       28.73087 28.27516       29.08393 16.20715 7.528760 19.29487 8.356944 -3.087717      11.24814 
1 1 1 -33 15 11 o 14.47701 6.622387 2.610442       21.04291 -8.268180      30.25202 12.80794       29.28965 14.93730 7.166815 17.03781 7.801025 -2.100508      10.59336 
1 1 1 -33 15 12 o 17.94190 7.904126 20.75036       26.99615 24.07873       31.79883 12.16000       51.08590 18.58836 8.357497 18.33470 8.920317 0.2536621      12.22374 
1 1 1 -33 15 13 o 16.53608 7.235158 14.37425       22.27168 17.42415       31.79649 11.43665       31.20565 17.73777 8.123951 16.99656 7.878515 0.7412109      11.31678 
1 1 1 -33 15 14 o 41.00124 6.432271 109.0572       24.96612 52.28345       34.60677 170.6733       36.05243 22.61290 9.423634 48.69295 7.829565 -26.08005      12.25181 
1 1 1 -33 15 15 o 14.52956 6.886321 -4.587607      26.20760 14.72462       31.32506 -49.64000      47.84479 17.35334 7.990282 14.94700 7.500642 2.406337       10.95921 
1 1 1 -33 15 16 o 16.10151 7.371910 9.014558       26.15101 12.04489       31.18532 1.835000       48.00140 16.99052 7.875797 17.43876 8.520034 -0.4482384     11.60255 
1 1 1 -33 15 17 o 20.67336 7.966603 34.52365       22.77613 26.88923       32.16129 42.20480       32.25955 18.85272 8.446286 21.10348 8.963064 -2.250757      12.31569 
1 1 1 -33 15 18 o 19.41857 7.791630 29.12269       22.56956 18.97967       32.43692 38.64185       31.42355 17.86014 8.189452 20.58629 8.797976 -2.726149      12.01963 
1 1 1 -33 15 19 o 23.03298 8.485743 46.27061       25.19872 37.40000       39.91571 52.14841       32.49184 19.97053 9.129852 22.71428 9.263416 -2.743750      13.00635 
1 1 1 -33 15 20 f 21.99111 8.387814 41.93736       25.07366 -0.6212000     40.74876 67.86949       31.80827 16.66388 8.074609 26.03594 9.543667 -9.372053      12.50124 
1 1 1 -33 15 21 o 19.88659 7.869852 31.80262       22.71339 25.90382       33.42610 36.86272       30.95877 18.57557 8.438856 20.16026 8.676264 -1.584684      12.10338 
1 1 1 -33 15 22 o 16.46103 7.225671 15.24927       22.37444 43.56947       31.81173 -12.47531      31.47542 21.03818 8.916534 14.52663 7.052467 6.511549       11.36846 
1 1 1 -33 15 23 o 10.42152 5.201464 -37.93525      21.61236 -58.31430      30.45372 -17.25698      30.67648 11.53670 5.814786 14.00680 6.836295 -2.470100      8.974779 
1 1 1 -33 15 24 o 38.08261 6.721680 98.06268       24.14023 75.32447       33.73732 121.9182       34.55629 26.52384 9.810413 37.30383 9.453548 -10.77999      13.62401 
1 1 1 -33 15 25 o 11.80840 5.769255 -20.56219      22.01071 -20.50274      30.42512 -20.62747      31.88161 13.63592 6.687347 13.87591 6.813263 -0.2399893     9.546788 
1 1 1 -33 15 26 o 33.34600 7.388433 81.61171       23.48085 79.94162       32.49732 83.43607       33.96515 27.46485 9.698923 27.54800 9.895430 -0.8315277E-01 13.85600 
1 1 1 -33 15 27 o 15.35647 6.929441 10.75994       22.08695 4.276035       30.33454 18.07590       32.22217 15.48203 7.358252 17.02977 7.931896 -1.547738      10.81937 
1 1 1 -33 15 28 o 16.34936 7.194344 17.51596       22.30621 6.035863       31.21855 29.49027       31.88345 15.59101 7.425519 18.16032 8.246908 -2.569315      11.09729 
1 1 1 -33 15 29 o 21.63727 8.072649 43.60926       22.93665 -6.326716      31.93896 96.78826       32.95977 14.46750 7.042082 29.95609 9.778830 -15.48859      12.05058 
1 1 1 -33 15 30 o 11.90794 5.893992 -26.51086      25.53984 -15.42058      30.98800 -50.00000      45.09785 13.65592 6.707631 13.74986 6.947922 -0.9393787E-01 9.657429 
1 1 1 -33 16 1  o 19.22761 7.393921 26.54965       19.59024 25.13970       28.13574 27.87641       27.29305 18.82785 8.186646 19.28154 8.218670 -0.4536858     11.60033 
1 1 1 -33 16 2  o 20.57141 7.567954 31.68286       20.03071 2.730721       28.74105 59.02733       27.93168 15.87438 7.425792 25.84272 9.001991 -9.968337      11.66954 
1 1 1 -33 16 3  o 23.16942 7.675344 40.70474       20.27653 6.493319       29.11529 72.92368       28.25474 16.34774 7.588892 29.36242 8.988991 -13.01468      11.76407 
1 1 1 -33 16 4  o 16.35099 6.968870 14.30771       19.62006 -26.85252      28.29169 52.44376       27.23252 13.10580 6.431701 24.41091 8.848354 -11.30511      10.93893 
1 1 1 -33 16 5  o 48.53407 5.675508 143.9225       26.45384 114.2000       42.50441 162.7150       33.79748 31.91727 11.10552 48.67360 7.320359 -16.75633      13.30114 
1 1 1 -33 16 6  o 39.28270 7.267450 106.2040       26.91508 114.9911       32.30475 86.26000       48.66845 38.19593 8.818898 25.13696 10.84868 13.05897       13.98095 
1 1 1 -33 16 7  o 30.69238 7.402027 66.99588       21.97780 80.23969       31.68805 54.71998       30.50813 29.41127 9.587483 23.92693 9.220260 5.484335       13.30162 
1 1 1 -33 16 8  o 38.21445 6.206733 93.26431       22.42063 71.12559       31.47611 116.0664       31.94420 27.22371 9.550990 38.53230 8.678772 -11.30859      12.90513 
1 1 1 -33 16 9  o 18.71819 7.556852 25.42933       21.37088 12.80855       30.84994 37.07385       29.63276 17.11428 7.897890 20.57497 8.656948 -3.460688      11.71834 
1 1 1 -33 16 10 o 23.99335 8.103196 46.57760       22.58549 22.84919       33.10509 67.23840       30.89114 18.42390 8.381015 26.44117 9.444155 -8.017267      12.62670 
1 1 1 -33 16 11 o 17.97388 7.477542 22.07091       21.73524 24.52506       32.12441 19.99892       29.51736 18.62091 8.383752 17.92315 8.055780 0.6977654      11.62682 
1 1 1 -33 16 12 o 27.25861 8.060720 58.02332       23.00979 25.47034       32.12322 92.32559       32.97503 18.74620 8.416561 31.62344 9.716413 -12.87724      12.85485 
1 1 1 -33 16 13 o 14.20968 6.773811 -7.284475      26.10128 -25.55354      30.72185 40.12000       49.48788 13.58462 6.673841 20.10823 9.510328 -6.523610      11.61837 
1 1 1 -33 16 14 o 14.15338 6.760081 -7.928422      26.26081 -21.18685      31.24966 23.94000       48.44842 13.96980 6.835678 18.84865 9.050296 -4.878846      11.34171 
1 1 1 -33 16 15 o 16.84791 7.595321 14.40791       26.46413 -1.546433      31.37455 53.75000       49.26820 15.59255 7.431240 21.17166 9.843127 -5.579107      12.33331 
1 1 1 -33 16 16 o 23.32593 8.130911 44.81387       22.78971 55.69466       32.89987 34.77681       31.59854 23.30544 9.387734 19.94704 8.674524 3.358398       12.78190 
1 1 1 -33 16 17 o 14.52923 6.694359 2.426613       22.03942 5.019658       32.13014 0.1223438      30.28825 16.28162 7.689240 15.57759 7.388886 0.7040234      10.66396 
1 1 1 -33 16 18 o 12.89878 6.257625 -17.31837      24.66233 17.15000       41.76110 -35.77713      30.56067 18.05437 8.595795 12.84063 6.371678 5.213742       10.69981 
1 1 1 -33 16 19 o 41.96446 6.977952 120.2551       27.65646 105.6000       46.82031 128.1088       34.27512 27.52937 11.15955 39.47660 9.062158 -11.94723      14.37562 
1 1 1 -33 16 20 o 10.73791 5.322545 -31.46828      21.10800 -40.58816      30.38616 -22.96350      29.34357 12.45235 6.207570 13.37018 6.559147 -0.9178276     9.030855 
1 1 1 -33 16 21 o 14.76719 6.755053 5.170401       21.89369 -1.657845      31.24784 11.75468       30.68454 15.37324 7.351259 16.65599 7.751921 -1.282754      10.68332 
1 1 1 -33 16 22 o 18.40076 7.678424 25.76760       23.02022 -7.344357      32.42670 59.41096       32.68587 15.02638 7.262275 23.57726 9.404827 -8.550877      11.88240 
1 1 1 -33 16 23 o 11.24903 5.554974 -28.58532      22.22119 -54.74892      30.71606 0.1432476      32.18650 11.74574 5.909734 15.62480 7.468644 -3.879062      9.523949 
1 1 1 -33 16 24 o 23.28753 8.283609 47.88176       23.74186 46.31663       33.53913 49.45379       33.61312 20.90112 9.013160 21.37463 9.116094 -0.4735165     12.81952 
1 1 1 -33 16 25 o 21.56128 8.087398 41.08395       23.08352 -1.529870      32.46331 84.66544       32.82983 15.28252 7.356049 28.29934 9.764645 -13.01683      12.22537 
1 1 1 -33 16 26 o 12.39565 5.994682 -13.22680      22.18318 2.892295       31.42479 -29.23752      31.31897 15.43425 7.378155 13.03755 6.466076 2.396700       9.810571 
1 1 1 -33 16 27 o 13.31282 6.338486 -4.650084      22.71072 -11.50151      31.92436 2.369963       32.31481 14.20329 6.941209 15.33794 7.371541 -1.134652      10.12522 
1 1 1 -33 16 28 o 17.11147 7.424306 22.92258       23.03675 27.49627       32.41772 18.25678       32.74248 17.63876 8.124144 16.65079 7.832319 0.9879684      11.28481 
1 1 1 -33 16 29 o 21.44696 8.535943 47.90213       26.86612 43.78734       32.85898 56.20000       46.66201 19.64990 8.685655 19.62164 9.266541 0.2825546E-01  12.70076 
1 1 1 -33 17 1  f 35.96922 6.281647 83.36417       21.31186 55.32198       30.02806 111.8266       30.25223 24.04631 9.177359 38.45282 8.282424 -14.40652      12.36214 
1 1 1 -33 17 2  o 29.80176 7.312021 63.16205       21.16671 58.23080       30.06166 68.01058       29.80845 24.66875 9.234117 27.04925 9.305655 -2.380499      13.10970 
1 1 1 -33 17 3  o 14.67945 6.589305 5.905596       19.67774 -9.869509      27.97181 21.36159       27.68744 14.33547 6.881563 18.02209 7.969204 -3.686622      10.52920 
1 1 1 -33 17 4  o 28.18442 7.541544 58.30040       21.21336 33.17010       29.88690 83.81551       30.11485 19.86614 8.536886 30.95387 9.238635 -11.08773      12.57898 
1 1 1 -33 17 5  o 35.72444 6.603531 84.37544       22.24091 53.31438       31.34815 115.8572       31.55971 23.28788 9.236075 38.58666 8.578018 -15.29878      12.60506 
1 1 1 -33 17 6  o 38.01623 6.831614 97.04259       24.48697 61.06000       38.65028 121.1701       31.64918 23.24075 9.838195 39.89461 8.372164 -16.65387      12.91833 
1 1 1 -33 17 7  o 24.85633 7.837564 48.00762       21.30450 10.22399       29.89068 87.02135       30.37335 16.69555 7.729135 31.65958 9.234004 -14.96403      12.04186 
1 1 1 -33 17 8  o 14.64083 6.890033 -2.168009      25.38981 15.59015       31.32126 -36.20000      43.35948 17.44917 8.018111 14.97696 7.457910 2.472210       10.95037 
1 1 1 -33 17 9  o 14.52136 6.650839 2.932514       21.31085 -2.938477      31.93615 7.645286       28.61311 15.59514 7.450389 16.25426 7.537793 -0.6591215     10.59842 
1 1 1 -33 17 10 o 17.64527 7.406583 20.78251       21.61016 38.93275       32.47250 6.354137       28.95231 20.56710 8.868899 16.11057 7.508749 4.456528       11.62062 
1 1 1 -33 17 11 o 15.54362 6.964555 9.272278       21.87372 -10.57932      30.78464 29.51414       31.08577 14.70342 7.098771 19.17601 8.463356 -4.472587      11.04631 
1 1 1 -33 17 12 o 15.65511 7.221268 6.315670       25.74894 13.48902       30.69771 -10.71000      47.29305 17.06161 7.875292 16.61407 8.185236 0.4475422      11.35862 
1 1 1 -33 17 13 o 13.54264 6.536991 -13.73928      26.07200 -24.14874      31.05638 11.11000       47.98367 13.70384 6.727912 17.93105 8.705821 -4.227211      11.00255 
1 1 1 -33 17 14 o 25.11429 8.214886 51.78492       23.25463 20.41055       33.14002 82.21913       32.63971 18.00846 8.264976 29.01318 9.741024 -11.00472      12.77487 
1 1 1 -33 17 15 o 11.77651 5.738329 -20.28571      21.36419 -46.38130      30.08970 6.243917       30.33890 12.12510 6.064707 16.18511 7.589871 -4.060010      9.715287 
1 1 1 -33 17 16 o 13.59487 6.468245 -7.559952      23.56631 -23.72000      38.34856 2.246019       29.87260 14.86564 7.332753 15.70432 7.415873 -0.8386812     10.42902 
1 1 1 -33 17 17 o 16.66276 7.380670 15.20609       23.84748 24.32000       38.94185 9.737335       30.16538 18.52774 8.659389 16.51936 7.687565 2.008381       11.57945 
1 1 1 -33 17 18 o 14.21038 6.612340 0.2943428      22.30798 21.16913       32.91582 -17.43894      30.33809 17.92445 8.230312 13.97091 6.814330 3.953538       10.68518 
1 1 1 -33 17 19 o 12.18729 5.898263 -15.74726      21.57509 -41.60909      31.00364 8.536129       30.04261 12.48953 6.233047 16.23115 7.592485 -3.741617      9.823275 
1 1 1 -33 17 20 o 11.76656 5.754610 -21.62432      22.06174 13.93335       31.64222 -55.26147      30.77584 16.92712 7.876031 11.72960 5.903430 5.197519       9.842883 
1 1 1 -33 17 21 o 35.68832 7.322810 91.13012       24.72221 50.99691       35.21803 130.1193       34.71243 21.63133 9.280769 39.10839 9.219412 -17.47706      13.08168 
1 1 1 -33 17 22 o 17.97108 7.621400 23.93721       23.26612 3.384055       33.00745 44.23289       32.80005 15.95410 7.608735 20.82974 8.947001 -4.875648      11.74486 
1 1 1 -33 17 23 o 17.57576 7.543456 22.71940       23.28241 22.60803       32.91571 22.83092       32.93691 17.71120 8.167869 17.73692 8.176413 -0.2571678E-01 11.55715 
1 1 1 -33 17 24 o 17.53551 7.494309 22.97404       22.80173 19.70216       31.70729 26.47835       32.81422 17.24176 7.974466 18.04608 8.260571 -0.8043194     11.48169 
1 1 1 -33 17 25 o 18.96785 7.762679 30.82598       22.91527 5.805880       32.65689 55.09492       32.16294 15.76394 7.531844 22.05428 9.128603 -6.290335      11.83470 
1 1 1 -33 17 26 o 14.51592 6.726326 5.568071       22.71627 17.11804       31.73089 -6.575082      32.53552 16.64199 7.790575 14.60567 7.108932 2.036319       10.54656 
1 1 1 -33 17 27 o 15.10482 6.930347 10.41843       23.27837 3.176182       33.01351 17.57971       32.82845 15.25737 7.362514 16.53109 7.796500 -1.273719      10.72343 
1 1 1 -33 17 28 o 16.29880 7.305991 18.33992       24.09855 16.67199       34.31316 19.96335       33.85249 16.47864 7.830199 16.77264 7.912478 -0.2940044     11.13191 
1 1 1 -33 18 1  o 41.09316 5.711516 104.4572       22.35337 31.36507       31.60500 177.6181       31.61989 19.49351 8.571247 52.56528 6.268872 -33.07177      10.61909 
1 1 1 -33 18 2  o 22.14524 7.744115 38.48647       20.68256 2.920309       29.36730 73.48792       29.13322 15.79613 7.426343 28.65218 9.180556 -12.85605      11.80818 
1 1 1 -33 18 3  o 24.32180 7.795042 46.07293       21.00231 45.40354       30.62937 46.66696       28.85360 21.85688 8.963202 22.39222 8.867310 -0.5353394     12.60826 
1 1 1 -33 18 4  o 20.37112 7.692318 32.35055       20.96029 7.497464       29.41086 58.00171       29.87934 16.28667 7.583163 24.55387 9.202988 -8.267199      11.92474 
1 1 1 -33 18 5  o 34.21073 6.856538 79.36778       22.15967 25.05749       31.00954 136.0454       31.67816 18.56317 8.306813 43.43119 7.735268 -24.86802      11.35066 
1 1 1 -33 18 6  o 32.98458 6.996674 74.90421       21.88873 33.36707       30.51449 118.9315       31.41584 19.75914 8.559012 39.30146 8.419909 -19.54232      12.00631 
1 1 1 -33 18 7  o 15.58844 6.889104 10.65073       20.66224 5.709164       30.42963 14.87829       28.14549 16.16356 7.586584 17.02175 7.737147 -0.8581848     10.83604 
1 1 1 -33 18 8  o 13.45472 6.379407 -6.874324      22.53398 -40.53000      36.93302 13.08403       28.44121 13.74089 6.848924 16.80120 7.690632 -3.060311      10.29823 
1 1 1 -33 18 9  o 18.43866 7.884487 25.00705       25.26208 31.14735       31.03941 12.96000       43.47691 19.36114 8.504254 17.80556 8.555665 1.555580       12.06324 
1 1 1 -33 18 10 o 14.89359 6.962856 0.9922935      25.20716 -4.521462      30.86759 12.03000       43.67353 15.20702 7.281094 17.74323 8.538355 -2.536214      11.22131 
1 1 1 -33 18 11 o 13.43639 6.484647 -13.70744      25.63072 -11.84128      31.28079 -17.52000      44.71071 14.64606 7.091555 15.97682 7.887770 -1.330755      10.60693 
1 1 1 -33 18 12 o 14.46394 6.834832 -3.008551      25.45567 -10.85673      30.39411 15.43000       46.58740 14.56743 7.038142 18.08633 8.732203 -3.518907      11.21547 
1 1 1 -33 18 13 o 13.53042 6.375315 -4.705968      21.85798 -4.822537      31.73612 -4.600770      30.14866 15.27132 7.330593 15.06262 7.207609 0.2087011      10.28043 
1 1 1 -33 18 14 o 15.88339 7.042629 11.82217       21.76761 36.79912       31.34235 -11.45113      30.25455 20.13357 8.697723 14.47774 7.001416 5.655833       11.16558 
1 1 1 -33 18 15 o 14.99145 6.909122 4.374925       23.49785 -38.58000      36.80383 33.93415       30.53044 13.77051 6.859392 19.70304 8.547858 -5.932526      10.95980 
1 1 1 -33 18 16 o 20.30517 8.157045 35.17167       24.76711 -2.016000      40.15506 58.00533       31.46506 16.34412 7.941958 23.73695 9.302628 -7.392830      12.23166 
1 1 1 -33 18 17 o 14.18673 6.581915 1.240566       21.85310 23.97289       31.56516 -19.68461      30.28451 18.10680 8.215899 13.72922 6.720342 4.377582       10.61433 
1 1 1 -33 18 18 o 14.86461 6.789269 6.009903       22.00602 25.02552       30.97519 -13.36854      31.26931 18.20270 8.210640 14.35036 6.981172 3.852342       10.77735 
1 1 1 -33 18 19 o 23.15491 8.217981 46.36674       23.35529 23.51686       32.66839 70.25520       33.40257 18.02085 8.246452 25.38113 9.681121 -7.360279      12.71724 
1 1 1 -33 18 20 o 18.88475 7.793185 28.51246       23.34543 14.52440       33.21783 42.16470       32.81667 17.04672 7.977118 20.51619 8.881495 -3.469473      11.93798 
1 1 1 -33 18 21 o 14.15499 6.626614 0.2372381      22.96158 -40.80364      32.45224 41.38118       32.49296 12.70954 6.348112 20.23369 8.797838 -7.524147      10.84899 
1 1 1 -33 18 22 o 22.33996 8.212037 44.82619       23.57761 58.91603       33.53590 31.05467       33.15493 22.70118 9.351507 18.62571 8.438979 4.075466       12.59631 
1 1 1 -33 18 23 o 14.99058 6.850204 8.178013       22.43906 7.967636       31.48676 8.395119       31.98638 15.92003 7.546150 16.00277 7.591325 -0.8273315E-01 10.70386 
1 1 1 -33 18 24 o 11.93744 5.837747 -18.95373      22.69141 -45.43952      31.72406 8.792151       32.46994 12.15432 6.100405 15.94533 7.588226 -3.791006      9.736330 
1 1 1 -33 18 25 f 18.40503 7.683848 29.42626       23.06890 46.44330       33.27937 13.68600       32.00656 20.08963 8.815575 16.22526 7.666186 3.864368       11.68267 
1 1 1 -33 18 26 o 15.32044 7.135196 10.60054       26.06634 12.21022       32.39998 7.647000       43.88796 15.92423 7.578714 16.16675 7.949215 -0.2425127     10.98303 
1 1 1 -33 18 27 o 13.08079 6.391240 -13.42596      27.02267 7.316000       52.72548 -20.81529      31.47010 16.42629 8.186753 13.27011 6.563581 3.156184       10.49302 
1 1 1 -33 19 1  o 21.35326 7.706622 36.06672       20.62981 7.851565       30.25824 60.57437       28.20027 16.34525 7.637302 25.55861 9.034130 -9.213358      11.82979 
1 1 1 -33 19 2  o 26.61461 7.666829 53.76968       21.05730 40.97230       30.55682 65.34296       29.05868 20.93188 8.798030 26.40272 9.182735 -5.470848      12.71723 
1 1 1 -33 19 3  o 16.51862 7.092274 15.84532       20.59441 3.635257       29.43043 27.56118       28.82868 15.79163 7.427382 18.82836 8.235008 -3.036728      11.08970 
1 1 1 -33 19 4  o 21.14145 7.758819 35.63778       21.03318 14.65317       30.26838 55.23228       29.24865 17.11555 7.871167 23.95984 9.077919 -6.844299      12.01515 
1 1 1 -33 19 5  o 20.20267 7.678555 32.07899       20.96617 33.32067       30.52443 30.96997       28.84785 19.67179 8.540572 19.36357 8.354653 0.3082218      11.94745 
1 1 1 -33 19 6  o 16.13653 7.035532 13.71514       20.89946 10.06093       30.68788 16.87601       28.54132 16.61769 7.740227 17.27125 7.827108 -0.6535587     11.00794 
1 1 1 -33 19 7  o 22.01595 7.907865 39.38412       21.69084 5.342765       32.03064 68.21776       29.47895 16.25815 7.677907 26.91509 9.254283 -10.65694      12.02464 
1 1 1 -33 19 8  o 18.81206 7.987359 27.37724       25.60471 18.56467       31.60753 44.20000       43.67050 17.64236 8.087539 20.39562 9.406645 -2.753260      12.40537 
1 1 1 -33 19 9  o 17.58668 7.715172 20.38982       25.47425 22.41274       31.09356 16.26000       44.42691 18.07917 8.183772 18.00576 8.651023 0.7341385E-01  11.90858 
1 1 1 -33 19 10 o 19.13985 8.164413 29.60491       26.96973 26.16361       33.30495 36.16000       45.96604 18.58428 8.435214 19.56162 9.225713 -0.9773445     12.50066 
1 1 1 -33 19 11 o 16.44149 7.443057 12.82620       25.72593 16.20534       30.89993 5.193000       46.44168 17.28713 7.951093 17.34789 8.454736 -0.6075668E-01 11.60614 
1 1 1 -33 19 12 o 23.24262 8.180608 45.54007       23.10460 49.01064       33.88408 42.52422       31.58646 21.73479 9.206665 20.96754 8.885678 0.7672482      12.79523 
1 1 1 -33 19 13 o 25.38553 8.557738 56.20947       25.19039 21.06000       41.83196 76.20692       31.55267 18.20619 8.649516 27.75645 9.573022 -9.550268      12.90182 
1 1 1 -33 19 14 o 15.31301 7.002918 7.388806       23.50976 46.84000       37.59526 -17.94541      30.12706 20.81383 9.240635 13.83892 6.758792 6.974913       11.44861 
1 1 1 -33 19 15 o 15.47103 6.954754 10.04319       22.00995 1.026338       31.81155 18.32338       30.48439 15.62154 7.455528 17.32869 7.943301 -1.707149      10.89408 
1 1 1 -33 19 16 o 36.81562 6.916355 93.80592       24.00897 83.02530       34.39815 104.0470       33.52626 27.64892 9.954959 33.16516 9.709386 -5.516241      13.90588 
1 1 1 -33 19 17 o 15.62573 7.159763 9.021598       24.73306 28.69848       30.85171 -26.37000      41.37626 18.63372 8.315672 14.87580 7.387087 3.757929       11.12292 
1 1 1 -33 19 18 o 15.81099 7.089716 11.83499       22.71379 6.747683       31.73643 17.17736       32.52229 16.12269 7.622535 17.26156 8.015682 -1.138876      11.06138 
1 1 1 -33 19 19 o 16.05230 7.172131 13.60167       23.02145 -0.6709405     31.72663 29.47331       33.45671 15.35516 7.359928 18.59712 8.446312 -3.241960      11.20307 
1 1 1 -33 19 20 o 21.90275 8.204179 43.29932       23.73786 31.46891       33.09715 55.83143       34.06456 18.67355 8.449009 22.06107 9.281963 -3.387518      12.55152 
1 1 1 -33 19 21 o 16.38492 7.242529 16.81444       22.84748 6.865262       31.92581 27.25898       32.71093 15.86867 7.543948 18.06291 8.260461 -2.194240      11.18688 
1 1 1 -33 19 22 o 12.13839 5.901550 -15.65381      22.25485 -28.69017      31.52323 -2.700043      31.42323 13.04746 6.473783 14.86650 7.176150 -1.819040      9.664729 
1 1 1 -33 19 23 o 17.71358 7.562747 25.63998       23.17789 23.80627       32.37909 27.56704       33.19305 17.35164 8.036903 17.77142 8.197992 -0.4197845     11.48037 
1 1 1 -33 19 24 o 19.07895 7.849282 33.55475       23.58710 23.29099       33.56886 43.56367       33.14949 17.12979 8.017018 19.55014 8.678479 -2.420343      11.81476 
1 1 1 -33 19 25 o 25.73795 8.923882 68.19325       27.43332 67.35017       34.42634 69.66000       45.40808 22.71947 9.427756 20.70190 9.563587 2.017576       13.42925 
1 1 1 -33 19 26 o 17.88317 7.900677 30.54438       27.15462 44.48796       33.58802 4.234000       46.13823 19.23641 8.623863 15.88930 7.874773 3.347104       11.67832 
1 1 1 -33 20 1  o 23.03238 7.847730 42.68739       21.18783 6.225862       31.25968 73.67397       28.81734 16.21410 7.634970 28.50904 9.130239 -12.29494      11.90185 
1 1 1 -33 20 2  o 32.88876 7.008001 75.09920       21.86975 26.71160       32.25500 116.2718       29.75324 18.62582 8.392070 39.47152 7.975713 -20.84570      11.57751 
1 1 1 -33 20 3  o 12.08798 5.819793 -13.87513      20.34830 -27.17283      29.58271 -1.933800      28.03343 13.14381 6.475188 14.96220 7.100343 -1.818393      9.609523 
1 1 1 -33 20 4  o 15.28017 6.844829 8.917503       21.11406 9.051405       31.78843 8.811795       28.24436 16.54618 7.762341 16.16581 7.494106 0.3803749      10.78960 
1 1 1 -33 20 5  o 21.64514 7.884251 38.30140       21.65752 15.76633       32.17946 56.96091       29.28191 17.29444 8.010995 24.19890 9.101944 -6.904457      12.12524 
1 1 1 -33 20 6  o 20.53524 8.297137 36.62129       25.78621 8.827847       32.52529 83.65000       42.30888 16.58432 7.802684 25.36546 10.48175 -8.781145      13.06710 
1 1 1 -33 20 7  o 15.59347 7.196446 6.804000       25.61833 -16.62856      31.78479 50.25000       43.27972 14.28391 6.968732 20.92161 9.542543 -6.637706      11.81623 
1 1 1 -33 20 8  o 18.50274 7.878166 26.06284       25.03072 40.29845       31.33854 0.9786000      41.59979 20.58755 8.791955 16.69210 8.104694 3.895449       11.95761 
1 1 1 -33 20 9  o 16.72435 7.252045 16.89001       21.95353 -17.15140      31.47735 49.13132       30.63379 14.17394 6.919413 22.19932 9.016516 -8.025388      11.36555 
1 1 1 -33 20 10 o 14.77715 6.727730 5.776163       21.38836 21.60052       30.61475 -9.311423      29.89355 17.83409 8.091805 14.51081 7.003181 3.323276       10.70149 
1 1 1 -33 20 11 o 16.02699 7.204363 12.35493       23.61533 20.23000       38.49262 7.601882       29.90446 17.87448 8.433816 16.07538 7.537430 1.799101       11.31115 
1 1 1 -33 20 12 o 14.64106 6.803597 2.803595       23.49389 12.28000       37.87504 -3.123085      29.95278 17.10055 8.154097 14.98341 7.173590 2.117135       10.86046 
1 1 1 -33 20 13 o 11.32320 5.683081 -48.23676      27.52175 -58.11000      34.80807 -31.77000      44.95251 12.35775 6.227098 15.01337 7.494576 -2.655613      9.743994 
1 1 1 -33 20 14 o 17.20086 7.367161 20.23638       22.12124 8.273881       30.97833 32.68322       31.59923 16.17409 7.611293 19.13651 8.485166 -2.962420      11.39868 
1 1 1 -33 20 15 o 25.65359 8.213302 55.47723       23.32112 60.43118       33.07466 50.57897       32.88823 23.44038 9.422931 21.74697 9.133249 1.693409       13.12280 
1 1 1 -33 20 16 o 19.30358 7.825038 30.68997       23.02032 29.85538       32.35160 31.54596       32.76360 18.72477 8.423396 18.93597 8.501040 -0.2112026     11.96751 
1 1 1 -33 20 17 o 12.19819 5.921630 -16.24966      22.18053 -9.949832      31.23164 -22.66074      31.50619 14.48669 7.031221 13.60898 6.700094 0.8777122      9.712329 
1 1 1 -33 20 18 o 16.95585 7.390953 19.82986       23.05240 11.24405       32.20742 28.84858       33.00940 16.36252 7.718647 18.31571 8.346178 -1.953188      11.36821 
1 1 1 -33 20 19 o 12.07981 5.884006 -17.20483      22.40659 -12.90641      31.18834 -21.79000      32.21184 14.11207 6.888856 13.65382 6.732245 0.4582520      9.632210 
1 1 1 -33 20 20 o 15.12640 6.902635 9.450615       22.68101 12.16072       31.42975 6.505641       32.76339 16.22657 7.645427 15.79148 7.544756 0.4350939      10.74132 
1 1 1 -33 20 21 o 14.58188 6.752216 6.000617       22.83225 15.49312       31.72867 -4.194238      32.88153 16.46207 7.733050 14.81697 7.196857 1.645106       10.56385 
1 1 1 -33 20 22 o 16.40373 7.254656 18.88199       22.95314 3.405805       32.32265 34.62529       32.60040 15.25152 7.340868 18.47370 8.369307 -3.222171      11.13255 
1 1 1 -33 20 23 o 17.12667 7.461143 23.99933       23.46377 6.159475       32.32791 43.85938       34.10925 15.34098 7.373009 19.28726 8.665074 -3.946286      11.37738 
1 1 1 -33 20 24 o 14.42508 6.920413 0.3444859      28.19288 27.80000       56.23233 -8.874155      32.58403 17.37604 8.625774 14.20753 6.957893 3.168507       11.08225 
1 1 1 -33 21 1  o 16.29772 7.057230 15.32223       20.73140 4.573236       31.80861 23.26011       27.33462 16.01141 7.588041 17.96326 7.931850 -1.951855      10.97691 
1 1 1 -33 21 2  o 20.19302 7.724732 32.93425       21.30682 -12.99349      31.10293 73.54552       29.24739 14.39077 6.992073 28.03960 9.215087 -13.64883      11.56749 
1 1 1 -33 21 3  o 19.64858 7.742619 31.08500       21.90024 20.73343       32.38614 39.80683       29.72760 17.75706 8.157271 20.54865 8.659743 -2.791586      11.89673 
1 1 1 -33 21 4  o 30.01272 8.817145 77.77631       27.60632 29.96531       34.55008 162.2000       45.91105 18.85629 8.571554 37.93715 11.42662 -19.08086      14.28423 
1 1 1 -33 21 5  o 18.74787 8.010186 28.31229       26.03571 34.31548       32.92240 18.29000       42.53867 19.41749 8.632475 17.84864 8.546314 1.568850       12.14739 
1 1 1 -33 21 6  o 13.39398 6.442842 -10.73846      24.80936 -39.69719      31.19986 39.06000       40.91390 12.59665 6.281192 19.62549 9.070452 -7.028834      11.03297 
1 1 1 -33 21 7  o 26.67525 8.782202 64.23269       26.55962 46.39993       33.08932 96.53000       44.53094 21.08970 9.021014 26.12737 10.77077 -5.037661      14.04949 
1 1 1 -33 21 8  o 17.56259 7.401610 22.07975       21.71840 3.231881       32.36974 37.51139       29.28963 15.83063 7.545675 20.03855 8.526736 -4.207924      11.38606 
1 1 1 -33 21 9  o 26.58463 8.070527 57.85930       22.83917 46.82395       33.14744 67.83347       31.51341 21.08970 9.025159 25.40548 9.465529 -4.315783      13.07860 
1 1 1 -33 21 10 o 30.63039 8.289885 76.26763       25.45563 46.35000       41.67847 94.06783       32.14850 20.20868 9.272538 31.34179 9.587135 -11.13311      13.33766 
1 1 1 -33 21 11 o 14.17677 6.672731 -1.060269      23.83076 -11.69000      38.55906 5.509222       30.31315 15.33704 7.522997 15.79333 7.461660 -0.4562874     10.59584 
1 1 1 -33 21 12 o 25.51586 8.207487 55.10804       23.26863 39.52843       33.52000 69.59760       32.32610 19.93258 8.793247 25.42667 9.563454 -5.494081      12.99157 
1 1 1 -33 21 13 o 15.51225 7.096725 9.026023       24.17407 -16.75000      37.45208 27.43447       31.65021 14.89333 7.327053 18.38174 8.294759 -3.488409      11.06746 
1 1 1 -33 21 14 o 21.59576 8.121346 41.00325       23.31009 18.81754       32.05946 65.88686       33.95285 17.30822 8.009917 24.07477 9.591292 -6.766544      12.49607 
1 1 1 -33 21 15 o 18.31339 7.967394 27.66142       26.68000 29.82366       31.61384 22.31000       49.73467 18.50405 8.325223 17.93610 8.743167 0.5679531      12.07279 
1 1 1 -33 21 16 f 19.13765 7.797037 31.26996       22.99172 20.13891       32.21091 42.83177       32.82827 17.23618 7.994711 20.10715 8.791164 -2.870975      11.88276 
1 1 1 -33 21 17 o 13.68988 6.453456 -1.488416      22.44421 -3.103181      30.96448 0.2991113      32.57882 14.82175 7.146836 15.29109 7.362451 -0.4693413     10.26075 
1 1 1 -33 21 18 o 17.99244 7.613143 26.56822       23.12767 -15.96282      32.02323 72.93893       33.43751 13.91709 6.832451 24.83420 9.630407 -10.91711      11.80793 
1 1 1 -33 21 19 o 14.16193 6.618992 2.961718       22.75333 6.759927       32.18604 -0.8327263     32.17009 15.63153 7.470971 14.98341 7.239544 0.6481209      10.40319 
1 1 1 -33 21 20 o 21.00646 8.123326 42.24354       23.74124 36.41639       33.03089 48.47125       34.14729 18.65808 8.441420 20.12975 8.877897 -1.471676      12.25049 
1 1 1 -33 21 21 o 15.99359 7.164564 17.11973       23.13404 34.57153       32.37125 -1.096893      33.07298 18.27859 8.304210 14.83217 7.207360 3.446417       10.99572 
1 1 1 -33 21 22 o 18.04852 7.857676 30.52852       25.98859 30.91261       31.89678 29.77000       44.82475 17.77599 8.139693 17.42918 8.450962 0.3468113      11.73343 
1 1 1 -33 21 23 o 18.55799 8.518838 41.17680       35.23050 45.38000       56.94276 38.57000       44.84379 17.86300 8.834146 17.81636 8.593261 0.4664040E-01  12.32421 
1 1 1 -33 22 1  o 26.42253 8.956765 65.56025       27.59541 71.62000       62.88867 64.11526       30.70982 20.76531 10.05463 24.82101 9.324362 -4.055706      13.71274 
1 1 1 -33 22 2  o 15.19607 7.082992 5.035161       25.76890 -53.59194      32.52401 103.9000       42.23532 12.09991 6.087042 28.00343 10.83325 -15.90352      12.42623 
1 1 1 -33 22 3  o 20.32641 8.283567 37.40675       25.95890 43.60071       32.71648 26.88000       42.65100 20.58341 8.889177 18.35586 8.724399 2.227545       12.45522 
1 1 1 -33 22 4  o 15.18463 7.068180 5.273458       25.52526 18.90558       32.08731 -18.22000      42.12355 17.33900 8.020381 15.32064 7.580680 2.018367       11.03600 
1 1 1 -33 22 5  o 20.20580 8.239696 36.73478       25.70452 24.72622       31.72090 59.70000       43.86675 18.00791 8.196512 21.34579 9.685521 -3.337881      12.68827 
1 1 1 -33 22 6  o 20.86916 7.907753 37.13200       22.19559 18.40298       32.36478 53.76172       30.49703 17.27463 8.012971 22.68279 9.072252 -5.408161      12.10427 
1 1 1 -33 22 7  o 18.40056 7.547113 26.41323       21.72042 -5.622004      31.44475 55.64647       30.03812 14.88380 7.183040 23.17794 9.087551 -8.294141      11.58359 
1 1 1 -33 22 8  o 26.08838 8.518076 60.04375       25.00818 21.72000       39.66478 85.32953       32.21879 17.85228 8.464261 29.00854 9.677025 -11.15626      12.85646 
1 1 1 -33 22 9  o 19.09276 7.919675 30.52689       24.27999 37.69000       37.93467 25.55611       31.60078 19.40704 8.882861 18.10186 8.216376 1.305176       12.10017 
1 1 1 -33 22 10 o 15.95094 7.143087 13.15668       22.97488 26.14801       33.56441 1.703319       31.51510 18.15914 8.328045 15.51453 7.408928 2.644609       11.14668 
1 1 1 -33 22 11 o 16.62370 7.268350 17.67579       22.44161 17.58129       32.05653 17.76661       31.42728 17.09741 7.945812 17.08887 7.916134 0.8544922E-02  11.21611 
1 1 1 -33 22 12 o 11.70927 5.729614 -20.42866      21.95656 -28.37575      30.84817 -12.26879      31.25842 13.04333 6.459829 14.21307 6.929018 -1.169748      9.473156 
1 1 1 -33 22 13 o 15.55171 7.010466 11.93469       22.54079 15.23000       31.81746 8.614393       31.93785 16.65932 7.799498 16.00547 7.590552 0.6538544      10.88341 
1 1 1 -33 22 14 o 16.18073 7.185810 16.04467       22.75105 40.00762       32.00051 -8.447697      32.35207 19.65910 8.635028 14.55911 7.086853 5.099994       11.17082 
1 1 1 -33 22 15 o 25.02767 8.688531 60.06185       26.00919 58.74000       40.89709 60.95956       33.70303 20.92022 9.435615 22.57334 9.344135 -1.653120      13.27945 
1 1 1 -33 22 16 o 16.65124 7.551831 18.90128       26.62988 19.93003       31.71052 16.44000       49.04884 16.93481 7.881269 17.14282 8.424067 -0.2080097     11.53600 
1 1 1 -33 22 17 o 16.91067 7.399936 21.63044       23.30379 6.299763       31.81766 39.37099       34.22718 15.49435 7.411557 19.01125 8.597867 -3.516899      11.35141 
1 1 1 -33 22 18 o 13.70713 6.439391 1.156312       22.00792 -20.93193      30.23861 26.03486       32.09179 13.12709 6.481962 17.38333 8.033843 -4.256236      10.32272 
1 1 1 -33 22 19 o 15.10161 6.906011 11.49232       22.86113 6.127143       31.61780 17.37009       33.09372 15.25366 7.320756 16.35815 7.748671 -1.104487      10.65999 
1 1 1 -33 22 20 o 19.83654 8.236435 41.08859       26.29806 52.14208       32.65489 20.69000       44.36073 20.49245 8.865402 16.78213 8.197354 3.710325       12.07444 
1 1 1 -33 22 21 o 16.06308 7.699882 15.24665       34.74124 36.57000       57.93413 3.273000       43.41304 17.47688 8.689214 15.64903 7.734531 1.827850       11.63295 
1 1 1 -33 23 1  o 21.90623 9.431843 57.02884       36.61673 -8.214000      61.36691 93.10000       45.62972 17.00530 8.528068 24.89715 10.61995 -7.891846      13.62025 
1 1 1 -33 23 2  o 22.66365 9.580210 62.03753       36.56340 32.31000       62.62719 77.41000       45.03555 18.64770 9.229864 23.03992 10.17697 -4.392212      13.73904 
1 1 1 -33 23 3  o 29.08139 9.256392 80.52686       29.65483 114.0000       64.41457 71.52438       33.40543 23.06126 10.88989 25.23048 9.667221 -2.169220      14.56176 
1 1 1 -33 23 4  o 25.98116 8.146299 56.85375       23.04744 19.86714       33.32980 90.74548       31.90489 17.39626 8.090599 30.35282 9.593903 -12.95656      12.54993 
1 1 1 -33 23 5  o 22.84023 8.076612 45.39429       22.54112 11.90653       32.18065 77.65108       31.58365 16.47688 7.754962 27.25401 9.566853 -10.77714      12.31520 
1 1 1 -33 23 6  o 15.44820 7.042412 10.04767       23.53301 -39.02000      36.91672 43.63532       30.54325 13.46562 6.732563 20.61228 8.736531 -7.146662      11.02970 
1 1 1 -33 23 7  o 15.24488 7.002686 8.573730       23.86077 12.15000       37.36059 6.110141       31.00863 16.72808 8.009638 15.72647 7.464364 1.001603       10.94856 
1 1 1 -33 23 8  o 17.59435 7.636230 23.87263       24.38647 -49.48000      36.88803 80.81941       32.50216 12.91632 6.495735 27.22535 9.691297 -14.30903      11.66687 
1 1 1 -33 23 9  o 13.91102 6.502542 1.020387       21.97116 13.91308       31.14315 -11.75500      31.00116 16.44190 7.703728 14.13525 6.893147 2.306651       10.33745 
1 1 1 -33 23 10 o 14.50923 6.699757 5.377395       22.24834 -29.09559      31.03131 41.84203       31.91512 12.94790 6.424156 19.90491 8.686078 -6.957006      10.80360 
1 1 1 -33 23 11 o 16.54012 7.253592 18.56146       22.50013 12.42507       31.04105 25.35490       32.66066 16.20514 7.623755 17.66155 8.141807 -1.456406      11.15395 
1 1 1 -33 23 12 o 18.80673 7.685560 30.46337       22.42178 25.66707       31.06442 35.67962       32.39585 17.63319 8.058613 18.86240 8.461778 -1.229214      11.68516 
1 1 1 -33 23 13 f 24.93913 8.205293 55.70667       23.18620 35.61049       32.64093 76.17479       32.94161 18.73378 8.441292 25.43654 9.634766 -6.702761      12.80953 
1 1 1 -33 23 14 o 16.85410 7.337128 21.38331       22.65580 29.79173       31.68008 12.58145       32.41277 17.94704 8.177491 16.10011 7.638739 1.846931       11.19025 
1 1 1 -33 23 15 o 15.71390 7.051225 15.08519       22.51198 -9.233754      31.25322 41.30912       32.45422 14.08765 6.881067 19.26870 8.568335 -5.181054      10.98933 
1 1 1 -33 23 16 o 14.47509 6.722310 6.735996       22.88123 17.40297       32.24916 -4.077478      32.46986 16.36117 7.719725 14.53552 7.080829 1.825650       10.47532 
1 1 1 -33 23 17 o 12.93064 6.202545 -5.584202      22.62861 -17.11604      31.31501 7.017655       32.73563 13.40006 6.612926 15.33005 7.380936 -1.929984      9.910046 
1 1 1 -33 23 18 o 14.53995 6.897275 4.657295       26.40264 -5.403961      31.06404 30.84000       50.11169 14.17579 6.910088 17.33805 8.518974 -3.162260      10.96915 
1 1 1 -33 23 19 o 14.70298 6.922693 7.647481       25.68739 2.773925       31.36766 17.57000       44.75795 14.75643 7.134457 16.41389 8.062119 -1.657461      10.76560 
1 1 1 -33 24 1  o 13.33685 6.327328 -3.753153      22.23251 -4.407469      31.63838 -3.114873      31.24828 14.72981 7.132072 14.78790 7.142625 -0.5809689E-01 10.09374 
1 1 1 -33 24 2  f 22.54760 8.142662 46.23281       23.03466 22.25814       33.56844 67.56779       31.66656 17.32331 8.077723 24.43361 9.399372 -7.110298      12.39346 
1 1 1 -33 24 3  o 16.72168 7.621553 18.60050       27.54650 3.454000       64.01168 22.04296       30.51672 17.08619 8.587990 17.23679 7.918293 -0.1505909     11.68131 
1 1 1 -33 24 4  o 18.13774 8.211538 29.42250       31.31921 0.000000       0.000000 29.42250       31.31921 ?        ?        18.13774 8.211538 ?              ?        
1 1 1 -33 24 5  o 19.02707 8.454545 36.31457       31.53809 0.000000       0.000000 36.31457       31.53809 ?        ?        19.02707 8.454545 ?              ?        
1 1 1 -33 24 6  o 25.50069 9.561098 74.33250       32.25566 0.000000       0.000000 74.33250       32.25566 ?        ?        25.50069 9.561098 ?              ?        
1 1 1 -33 24 7  o 15.22673 6.906758 11.02285       22.28444 -47.93526      31.48834 70.18072       31.54164 11.94613 6.006977 24.84559 9.423929 -12.89946      11.17561 
1 1 1 -33 24 8  o 16.57710 7.267850 19.47762       22.57499 -7.915825      31.31898 49.10219       32.56944 14.31076 6.967502 20.62848 8.888641 -6.317717      11.29398 
1 1 1 -33 24 9  o 15.74561 7.029530 14.88691       22.06893 -28.69456      30.87976 60.38496       31.55145 12.81666 6.367454 22.70722 9.176769 -9.890554      11.16949 
1 1 1 -33 24 10 o 21.82071 8.031811 44.06913       22.56634 31.72946       31.50851 57.06448       32.33479 18.16065 8.227672 21.80817 9.100258 -3.647520      12.26822 
1 1 1 -33 24 11 o 18.58497 7.654912 30.72010       22.46751 -8.373081      30.88680 74.65059       32.74201 14.09911 6.876598 24.82043 9.555186 -10.72133      11.77239 
1 1 1 -33 24 12 o 15.11450 6.875802 11.63623       22.28401 11.15806       30.49727 12.18398       32.64049 15.68959 7.433896 15.91525 7.583535 -0.2256613     10.61945 
1 1 1 -33 24 13 o 21.43152 8.027925 43.91179       22.72925 23.73939       31.22679 66.64155       33.14713 16.95003 7.865310 22.83165 9.339200 -5.881620      12.20999 
1 1 1 -33 24 14 o 19.33454 7.758254 35.32100       22.37765 41.97009       30.55305 27.62659       32.86706 19.22773 8.441772 17.25216 8.027186 1.975571       11.64900 
1 1 1 -33 24 15 o 17.98034 7.577554 29.41982       22.76266 -12.21758      30.66204 80.54021       33.97475 13.59215 6.675491 24.80527 9.682500 -11.21312      11.76065 
1 1 1 -33 24 16 f 17.12702 7.444767 24.96911       23.25228 10.04375       32.38781 40.84485       33.40306 15.51220 7.435472 18.71530 8.475943 -3.203098      11.27510 
1 1 1 -33 24 17 o 11.87540 5.866507 -21.40599      24.86589 -22.37496      30.40749 -19.45000      43.20253 12.77553 6.342174 14.34356 7.187825 -1.568027      9.585823 
1 1 1 -33 25 1  o 11.41309 5.672032 -30.13982      24.58370 -32.50620      30.24230 -25.53000      42.20992 12.41102 6.187901 14.37201 7.187738 -1.960997      9.484393 
1 1 1 -33 25 2  o 12.36244 6.118800 -25.10911      27.51903 -44.99000      35.86049 3.369000       42.91941 12.70282 6.390513 15.90562 7.828703 -3.202804      10.10580 
1 1 1 -33 25 3  o 15.95041 7.227047 16.15785       24.31791 11.78000       37.56676 19.31541       31.90430 16.17296 7.816484 16.61907 7.790124 -0.4461098     11.03555 
1 1 1 -33 25 4  o 15.17479 6.976779 10.98473       23.75841 6.026000       36.50891 14.62721       31.29045 15.67492 7.606572 16.10418 7.600185 -0.4292622     10.75280 
1 1 1 -33 25 5  o 16.11375 7.206402 17.72842       23.30055 -0.8161663     34.12564 33.92445       31.89161 14.96969 7.284860 18.25355 8.272862 -3.283863      11.02313 
1 1 1 -33 25 6  o 15.12672 7.158004 7.576087       28.10310 23.87000       56.77884 2.289154       32.34266 17.21286 8.565246 15.02567 7.259711 2.187188       11.22795 
1 1 1 -33 25 7  o 16.07282 7.461630 16.42545       28.15218 -48.20000      56.41460 37.85526       32.48620 14.64457 7.439804 18.62671 8.404602 -3.982137      11.22444 
1 1 1 -33 25 8  o 15.78179 7.362930 14.37877       27.95157 18.99000       57.12704 12.92735       32.05006 16.89587 8.436538 15.84872 7.541330 1.047157       11.31578 
1 1 1 -33 25 9  o 14.86817 6.842831 10.32342       22.93688 -26.13022      32.47796 46.59660       32.39748 13.01575 6.476941 19.66990 8.662349 -6.654154      10.81606 
1 1 1 -33 25 10 o 13.41280 6.353678 -0.1708242     22.25370 -43.61590      31.08234 45.52013       31.87561 11.84156 5.956217 19.49239 8.587923 -7.650836      10.45127 
1 1 1 -33 25 11 o 24.81024 8.215175 58.13725       23.22979 24.62983       31.93797 95.77455       33.84902 16.83472 7.859561 27.94124 9.895669 -11.10651      12.63713 
1 1 1 -33 25 12 f 14.15706 6.556297 6.735320       21.53623 8.099568       29.23932 5.117562       31.84031 15.07489 7.181554 15.01108 7.240393 0.6380939E-01  10.19794 
1 1 1 -33 25 13 o 15.43052 6.953707 15.30739       22.15782 9.436035       30.48904 21.87959       32.25745 15.24969 7.283789 16.51790 7.771140 -1.268207      10.65102 
1 1 1 -33 25 14 o 16.95512 7.539769 25.99186       25.13205 3.025362       30.32809 76.33000       44.90000 14.53992 7.026231 20.49934 9.484082 -5.959421      11.80321 
1 1 1 -33 26 1  o 19.36752 7.971943 37.94531       24.34579 8.801000       36.32557 61.71199       32.80348 15.54397 7.553291 21.67590 9.113543 -6.131934      11.83676 
1 1 1 -33 26 2  o 19.88384 8.310089 43.39619       27.02519 15.90610       33.45232 95.05000       45.85529 15.98028 7.631868 22.57345 10.10138 -6.593167      12.66030 
1 1 1 -33 26 3  o 13.34916 6.442424 -4.988343      25.29506 -39.27549      30.65542 68.16000       44.77585 11.94133 5.993958 20.06314 9.346571 -8.121804      11.10342 
1 1 1 -33 26 4  o 18.44875 7.963218 34.63084       26.22908 22.56520       32.20539 58.40000       45.20227 16.58458 7.790703 19.17157 9.073838 -2.586990      11.95950 
1 1 1 -33 26 5  f 22.02326 8.596000 53.60946       26.77631 52.11517       32.95966 56.51000       45.92018 20.14430 8.808043 18.96194 9.023872 1.182364       12.60999 
1 1 1 -33 26 6  o 15.08148 6.895178 12.68407       22.77181 7.122658       31.35228 18.89387       33.12958 15.10808 7.261033 16.24859 7.713116 -1.140503      10.59315 
1 1 1 -33 26 7  o 12.47263 6.034290 -9.259218      22.53296 -0.6556602     30.82014 -19.13901      33.02703 14.42146 6.996099 13.41223 6.649835 1.009232       9.652239 
1 1 1 -33 26 8  o 14.28218 6.864317 1.489219       28.02508 -42.77000      56.54367 15.90239       32.26724 14.55430 7.399373 15.91070 7.569694 -1.356400      10.58541 
1 1 1 -33 26 9  o 23.72454 9.059820 67.19308       29.27480 37.59000       58.07935 77.27586       33.89560 17.17618 8.565547 23.71649 9.537335 -6.540308      12.81910 
1 1 1 -33 26 10 o 15.48328 7.493196 11.96146       34.81424 52.28000       58.00551 -10.74000      43.52549 17.67826 8.773215 14.65357 7.324079 3.024696       11.42854 
1 1 1 -32 0  1  o 18.56804 9.821527 31.50108       23.89725 31.50108       23.89725 31.50108       23.89725 18.56804 9.821527 18.56804 9.821527 -0.000000      0.000000 
1 1 1 -32 0  2  o 22.55168 10.13849 43.24337       23.93291 43.24337       23.93291 43.24337       23.93291 22.55168 10.13849 22.55168 10.13849 0.000000       0.000000 
1 1 1 -32 0  3  f 27.53416 10.10170 57.50690       25.13851 57.50690       25.13851 57.50690       25.13851 27.53416 10.10170 27.53416 10.10170 -0.000000      0.000000 
1 1 1 -32 0  4  o 25.13939 10.45051 51.79655       25.63580 51.79655       25.63580 51.79655       25.63580 25.13939 10.45051 25.13939 10.45051 -0.000000      0.000000 
1 1 1 -32 0  5  o 45.70298 6.938288 119.6071       28.92209 119.6071       28.92209 119.6071       28.92209 45.70298 6.938288 45.70298 6.938288 0.000000       0.000000 
1 1 1 -32 0  6  o 48.93082 6.629223 134.9523       30.10803 134.9523       30.10803 134.9523       30.10803 48.93082 6.629223 48.93082 6.629223 0.000000       0.000000 
1 1 1 -32 0  7  o 33.63256 11.75302 88.06000       35.00375 88.06000       35.00375 88.06000       35.00375 33.63256 11.75302 33.63256 11.75302 -0.000000      0.000000 
1 1 1 -32 0  8  o 13.74345 8.950173 7.952000       29.14142 7.952000       29.14142 7.952000       29.14142 13.74345 8.950173 13.74345 8.950173 -0.000000      0.000000 
1 1 1 -32 0  9  o 16.11512 9.828240 21.94000       29.24991 21.94000       29.24991 21.94000       29.24991 16.11512 9.828240 16.11512 9.828240 0.000000       0.000000 
1 1 1 -32 0  10 o 16.76258 10.03859 25.28000       29.38695 25.28000       29.38695 25.28000       29.38695 16.76258 10.03859 16.76258 10.03859 0.000000       0.000000 
1 1 1 -32 0  11 o 15.44115 9.599753 18.63000       29.19324 18.63000       29.19324 18.63000       29.19324 15.44115 9.599753 15.44115 9.599753 -0.000000      0.000000 
1 1 1 -32 0  12 o 13.42449 8.764620 7.178000       28.19941 7.178000       28.19941 7.178000       28.19941 13.42449 8.764620 13.42449 8.764620 -0.000000      0.000000 
1 1 1 -32 0  13 o 9.563853 6.779941 -25.31000      26.53286 -25.31000      26.53286 -25.31000      26.53286 9.563853 6.779941 9.563853 6.779941 0.000000       0.000000 
1 1 1 -32 0  14 o 12.81847 8.415834 5.133346       26.54108 5.133346       26.54108 5.133346       26.54108 12.81847 8.415834 12.81847 8.415834 0.000000       0.000000 
1 1 1 -32 0  15 o 13.72226 8.729383 11.58582       25.69863 11.58582       25.69863 11.58582       25.69863 13.72226 8.729383 13.72226 8.729383 -0.000000      0.000000 
1 1 1 -32 0  16 o 16.81109 9.798208 26.61933       26.67734 26.61933       26.67734 26.61933       26.67734 16.81109 9.798208 16.81109 9.798208 0.000000       0.000000 
1 1 1 -32 0  17 o 22.67144 10.81672 47.95514       27.47260 47.95514       27.47260 47.95514       27.47260 22.67144 10.81672 22.67144 10.81672 0.000000       0.000000 
1 1 1 -32 0  18 o 14.03649 8.935202 12.99127       26.97769 12.99127       26.97769 12.99127       26.97769 14.03649 8.935202 14.03649 8.935202 -0.000000      0.000000 
1 1 1 -32 0  19 o 12.37500 8.256676 1.920892       27.26669 1.920892       27.26669 1.920892       27.26669 12.37500 8.256676 12.37500 8.256676 -0.000000      0.000000 
1 1 1 -32 0  20 o 17.63720 10.19963 31.30004       28.55270 31.30004       28.55270 31.30004       28.55270 17.63720 10.19963 17.63720 10.19963 0.000000       0.000000 
1 1 1 -32 0  21 o 19.14835 10.69054 38.49166       29.88990 38.49166       29.88990 38.49166       29.88990 19.14835 10.69054 19.14835 10.69054 0.000000       0.000000 
1 1 1 -32 0  22 o 15.01194 10.25229 6.927000       47.06321 6.927000       47.06321 6.927000       47.06321 15.01194 10.25229 15.01194 10.25229 -0.000000      0.000000 
1 1 1 -32 0  23 o 16.86997 10.07606 28.86279       29.45525 28.86279       29.45525 28.86279       29.45525 16.86997 10.07606 16.86997 10.07606 0.000000       0.000000 
1 1 1 -32 0  24 o 16.06373 9.811129 25.21359       29.24177 25.21359       29.24177 25.21359       29.24177 16.06373 9.811129 16.06373 9.811129 -0.000000      0.000000 
1 1 1 -32 0  25 o 33.85814 10.88052 88.31553       31.81128 88.31553       31.81128 88.31553       31.81128 33.85814 10.88052 33.85814 10.88052 -0.000000      0.000000 
1 1 1 -32 0  26 o 8.732729 6.312805 -40.87774      28.12053 -40.87774      28.12053 -40.87774      28.12053 8.732729 6.312805 8.732729 6.312805 -0.000000      0.000000 
1 1 1 -32 0  27 o 22.67440 11.43657 54.18480       31.39029 54.18480       31.39029 54.18480       31.39029 22.67440 11.43657 22.67440 11.43657 -0.000000      0.000000 
1 1 1 -32 0  28 o 10.94501 7.647496 -14.21936      30.15109 -14.21936      30.15109 -14.21936      30.15109 10.94501 7.647496 10.94501 7.647496 0.000000       0.000000 
1 1 1 -32 0  29 o 16.95078 10.21595 30.59944       30.82077 30.59944       30.82077 30.59944       30.82077 16.95078 10.21595 16.95078 10.21595 0.000000       0.000000 
1 1 1 -32 0  30 o 28.66073 11.61654 74.17667       31.88539 74.17667       31.88539 74.17667       31.88539 28.66073 11.61654 28.66073 11.61654 -0.000000      0.000000 
1 1 1 -32 0  31 o 11.97437 8.194197 -3.250066      30.39609 -3.250066      30.39609 -3.250066      30.39609 11.97437 8.194197 11.97437 8.194197 -0.000000      0.000000 
1 1 1 -32 0  32 o 32.36742 11.70486 89.37144       34.01786 89.37144       34.01786 89.37144       34.01786 32.36742 11.70486 32.36742 11.70486 0.000000       0.000000 
1 1 1 -32 0  33 o 8.821065 6.386294 -42.23554      29.33020 -42.23554      29.33020 -42.23554      29.33020 8.821065 6.386294 8.821065 6.386294 0.000000       0.000000 
1 1 1 -32 0  34 o 14.68997 10.16140 5.890000       49.79605 5.890000       49.79605 5.890000       49.79605 14.68997 10.16140 14.68997 10.16140 -0.000000      0.000000 
1 1 1 -32 0  35 o 14.73147 10.14559 9.844000       48.33657 9.844000       48.33657 9.844000       48.33657 14.73147 10.14559 14.73147 10.14559 -0.000000      0.000000 
1 1 1 -32 0  36 o 12.60212 8.619187 1.270548       33.53225 1.270548       33.53225 1.270548       33.53225 12.60212 8.619187 12.60212 8.619187 -0.000000      0.000000 
1 1 1 -32 0  37 o 16.94991 11.09883 37.89000       45.70677 37.89000       45.70677 37.89000       45.70677 16.94991 11.09883 16.94991 11.09883 0.000000       0.000000 
1 1 1 -32 0  38 o 10.94597 7.737694 -16.73786      33.73591 -16.73786      33.73591 -16.73786      33.73591 10.94597 7.737694 10.94597 7.737694 -0.000000      0.000000 
1 1 1 -32 1  1  o 33.95023 5.510594 65.74924       17.68517 63.45425       24.64117 68.18723       25.39717 30.80718 8.074941 31.95875 8.107433 -1.151569      11.44269 
1 1 1 -32 1  2  o 18.72709 6.926158 20.37284       16.81543 22.05994       24.92165 18.96284       22.78319 19.79838 8.098144 18.93527 7.743751 0.8631134      11.20471 
1 1 1 -32 1  3  o 11.85794 5.537148 -9.254654      15.86451 -21.63257      23.43341 1.219003       21.55564 13.02817 6.265535 15.37006 6.898151 -2.341888      9.318874 
1 1 1 -32 1  4  o 22.68074 7.015809 32.47464       17.15740 35.55180       25.41498 29.89788       23.25686 22.83578 8.501945 21.50012 8.106278 1.335667       11.74712 
1 1 1 -32 1  5  o 25.18904 7.032586 40.10423       17.99922 55.64587       25.95541 25.70648       24.98197 28.11031 8.617327 20.56883 8.216338 7.541479       11.90658 
1 1 1 -32 1  6  o 21.65753 7.280880 29.83221       18.23456 39.66440       25.64721 19.78180       25.93025 23.81943 8.593346 19.42873 8.131370 4.390701       11.83067 
1 1 1 -32 1  7  o 22.20376 7.458403 31.85704       19.13485 50.86000       29.07852 17.34406       25.41208 26.13961 9.179299 18.89284 7.986537 7.246777       12.16735 
1 1 1 -32 1  8  o 26.49688 7.883064 47.11354       21.95324 68.46000       31.80568 27.69000       30.33933 29.88693 9.594008 21.17251 8.823445 8.714418       13.03450 
1 1 1 -32 1  9  o 21.27469 7.787083 29.20799       21.16488 57.91000       30.77850 3.461000       29.15107 27.48408 9.455835 17.30166 7.868201 10.18242       12.30128 
1 1 1 -32 1  10 o 40.41499 6.216592 96.62652       23.80560 86.60000       33.79642 106.5000       33.53749 33.69487 9.714909 38.90933 8.986977 -5.214458      13.23424 
1 1 1 -32 1  11 o 56.97894 5.032181 180.5123       27.77759 199.1000       39.94093 163.1000       38.65740 56.14092 7.452174 49.59689 8.252798 6.544029       11.11951 
1 1 1 -32 1  12 o 31.06222 7.519281 62.85347       22.61426 52.44000       32.04864 73.18000       31.91456 25.77322 9.556417 30.74259 9.578205 -4.969366      13.53023 
1 1 1 -32 1  13 o 42.05410 5.763263 102.8519       23.10032 85.84879       30.18149 126.9000       35.89359 34.59113 8.871902 42.43383 8.925080 -7.842701      12.58442 
1 1 1 -32 1  14 o 14.73024 6.523617 3.045634       18.62326 -5.361232      23.92905 15.96000       29.65821 14.84814 6.888318 18.88641 8.303731 -4.038273      10.78892 
1 1 1 -32 1  15 o 12.89814 5.957526 -5.907121      17.61012 -2.697411      24.43702 -9.374737      25.39983 15.30217 7.049984 14.71626 6.914842 0.5859079      9.875086 
1 1 1 -32 1  16 o 12.45316 5.834314 -9.326853      17.85572 -7.542206      25.10499 -11.15387      25.40123 14.80785 6.931199 14.46923 6.834374 0.3386202      9.733971 
1 1 1 -32 1  17 o 20.32464 7.432018 27.00726       19.27158 24.07504       27.21449 29.95662       27.29394 19.82271 8.315551 20.95073 8.510291 -1.128019      11.89846 
1 1 1 -32 1  18 o 35.11156 6.342978 75.12352       20.99756 49.61533       29.58727 101.0068       29.80399 24.99229 9.197188 38.40969 8.178288 -13.41740      12.30742 
1 1 1 -32 1  19 o 13.92732 6.441858 -4.632644      20.69498 -6.544495      27.18365 -1.997000      31.91716 15.28639 7.173495 16.68154 7.810483 -1.395147      10.60484 
1 1 1 -32 1  20 o 15.53168 7.060235 2.320943       23.44017 30.29000       46.73028 -7.082207      27.09544 21.12439 9.738394 15.13328 7.120513 5.991107       12.06391 
1 1 1 -32 1  21 o 18.16754 7.338194 19.76536       20.16316 19.07473       28.20374 20.48735       28.83682 18.67020 8.155994 18.94090 8.261140 -0.2706985     11.60890 
1 1 1 -32 1  22 o 18.83134 7.676185 22.57575       22.29830 11.79000       34.17249 30.57346       29.42621 18.15023 8.352972 20.51329 8.628607 -2.363058      12.00937 
1 1 1 -32 1  23 o 13.25760 6.343939 -14.77344      23.35727 -15.74284      26.47553 -11.37000      49.60817 13.94717 6.695117 17.81100 8.693119 -3.863832      10.97246 
1 1 1 -32 1  24 o 23.73706 7.804301 41.29734       20.97677 42.39395       29.40565 40.16108       29.93264 22.55716 8.945639 22.06504 8.930682 0.4921188      12.64047 
1 1 1 -32 1  25 o 34.08785 6.870881 75.63701       22.13272 68.34875       31.48825 82.75391       31.11587 27.87123 9.565126 31.66813 9.375943 -3.796894      13.39403 
1 1 1 -32 1  26 o 13.94863 6.434226 -2.389897      20.44331 18.76497       29.27707 -22.51938      28.55872 18.47184 8.180122 13.78694 6.698991 4.684897       10.57312 
1 1 1 -32 1  27 o 20.63760 7.806127 31.11609       21.60615 20.77771       30.59223 41.40527       30.51933 18.71090 8.319682 22.08492 8.988665 -3.374020      12.24799 
1 1 1 -32 1  28 o 16.34806 7.134378 11.57804       21.53366 -1.900952      30.15750 25.59894       30.75775 15.90057 7.490984 19.40016 8.495066 -3.499592      11.32612 
1 1 1 -32 1  29 o 22.89910 8.032686 40.25483       22.26364 59.12780       31.09987 20.41577       31.88593 25.47108 9.419483 18.63601 8.374756 6.835064       12.60409 
1 1 1 -32 1  30 o 18.58220 7.576526 22.93074       21.72963 -3.394871      30.43892 50.28918       31.03028 15.73175 7.445858 23.60038 9.241375 -7.868634      11.86776 
1 1 1 -32 1  31 o 18.28148 7.591904 21.58983       22.34806 16.64040       31.08701 26.88341       32.14963 18.04621 8.174479 19.47999 8.601829 -1.433781      11.86649 
1 1 1 -32 1  32 o 17.74213 7.505063 19.28733       22.46493 16.00582       31.09911 22.86821       32.48670 17.87132 8.127100 18.83418 8.459408 -0.9628677     11.73079 
1 1 1 -32 1  33 o 19.48405 8.193639 28.42215       26.52386 29.40009       30.87879 25.67000       51.80123 19.61093 8.551081 19.56898 9.386203 0.4194641E-01  12.69731 
1 1 1 -32 1  34 o 14.44826 6.884738 -8.328384      26.90656 -3.428456      32.09760 -19.91000      49.34716 15.79977 7.526180 16.70997 8.256567 -0.9101944     11.17203 
1 1 1 -32 1  35 o 13.29389 6.476824 -20.48274      27.19129 -31.85000      49.63914 -15.60962      32.50124 15.96061 7.952879 14.68747 7.138824 1.273138       10.68696 
1 1 1 -32 1  36 o 20.21651 8.342513 34.69587       26.75151 -5.184000      42.81743 60.23047       34.26166 16.55199 8.078106 23.80344 9.582961 -7.251446      12.53351 
1 1 1 -32 1  37 o 12.84328 6.279603 -21.07451      26.22157 -31.12674      32.51714 -2.384000      44.33958 13.39572 6.633986 16.62657 8.137108 -3.230849      10.49868 
1 1 1 -32 1  38 o 20.87915 8.497378 41.04106       27.27233 73.68796       33.75274 -20.36000      46.28880 25.75048 9.752895 15.63245 7.771323 10.11803       12.47046 
1 1 1 -32 2  1  o 26.67148 6.669067 43.79042       17.36341 46.77721       24.99254 41.00375       24.14075 25.82530 8.519954 24.36086 8.374618 1.464439       11.94671 
1 1 1 -32 2  2  o 12.60561 5.768102 -4.873315      15.98025 -15.22611      23.04073 4.722742       22.18267 13.58408 6.443656 16.10316 7.126303 -2.519081      9.607544 
1 1 1 -32 2  3  o 16.66594 6.674339 13.23579       16.52789 31.07841       24.87070 -0.8764611     22.11855 21.77963 8.342278 15.19074 6.886685 6.588891       10.81758 
1 1 1 -32 2  4  o 34.44116 5.676217 68.20379       18.46960 73.14531       27.38141 64.07844       25.01819 32.67925 8.485830 30.86040 8.159256 1.818855       11.77212 
1 1 1 -32 2  5  o 41.56858 4.940968 95.60468       19.71115 100.4028       28.80546 91.37958       27.03068 39.59610 7.709574 37.91827 7.548335 1.677834       10.78957 
1 1 1 -32 2  6  o 18.60375 7.151910 19.61021       18.32505 18.12000       28.69562 20.63644       23.81306 19.42815 8.357059 19.37203 7.918952 0.5611420E-01  11.51305 
1 1 1 -32 2  7  o 24.86105 7.453991 40.30946       19.57001 35.58000       30.65429 43.56312       25.42562 22.65145 9.083387 24.81609 8.591813 -2.164646      12.50309 
1 1 1 -32 2  8  o 53.77833 5.121616 161.0710       26.63490 164.4000       37.83406 157.8000       37.50301 50.45072 7.922172 49.21168 8.064692 1.239037       11.30487 
1 1 1 -32 2  9  o 63.35496 4.814815 220.3603       29.63480 198.6000       41.28059 243.5000       42.56898 55.62558 7.795362 62.97200 7.025752 -7.346420      10.49423 
1 1 1 -32 2  10 o 30.20769 7.728444 60.18069       22.94215 63.43000       34.67200 57.65000       30.59865 27.87484 9.999689 27.36223 9.427602 0.5126171      13.74312 
1 1 1 -32 2  11 o 18.83599 7.604597 19.69218       21.64236 -18.98000      30.29851 59.98000       30.92494 15.04341 7.205672 27.79791 9.480831 -12.75450      11.90831 
1 1 1 -32 2  12 o 26.16537 8.020806 47.12460       22.48660 65.91000       31.90392 28.58000       31.69877 28.89125 9.629431 21.16538 8.932154 7.725876       13.13428 
1 1 1 -32 2  13 o 41.43959 5.596396 99.08166       22.12051 87.76558       28.57628 116.0000       34.94110 35.78922 8.316224 40.20865 9.091892 -4.419434      12.32161 
1 1 1 -32 2  14 o 18.88282 7.329735 21.19762       19.38416 44.88804       25.52838 -11.06000      29.78880 24.76863 8.607322 15.57050 7.368463 9.198133       11.33050 
1 1 1 -32 2  15 o 14.05854 6.293125 0.7261772      17.81337 -7.072486      24.11921 10.08491       26.42175 14.65650 6.838478 17.51394 7.762687 -2.857436      10.34524 
1 1 1 -32 2  16 o 15.00780 6.558747 5.367945       18.25482 -13.34677      25.06102 26.52165       26.64406 14.13319 6.708801 20.31900 8.349131 -6.185803      10.71056 
1 1 1 -32 2  17 o 11.93625 5.689815 -14.63110      18.41173 -0.6889647     26.12964 -28.37962      25.94756 15.83675 7.294028 12.93572 6.307778 2.901025       9.643179 
1 1 1 -32 2  18 o 25.85312 7.983980 47.09033       22.23023 39.74113       28.61896 58.27000       35.29787 22.90284 8.901725 25.88770 9.932667 -2.984856      13.33786 
1 1 1 -32 2  19 o 21.05565 8.151022 30.96252       23.92230 49.90000       46.12465 23.99401       27.97963 23.37609 10.31350 19.69882 8.356133 3.677271       13.27378 
1 1 1 -32 2  20 o 21.35209 7.612007 31.51798       20.05868 39.37431       28.37389 23.66900       28.36062 22.53369 8.833034 19.54818 8.356362 2.985516       12.15941 
1 1 1 -32 2  21 o 15.12892 6.701429 5.476840       19.66129 -14.88576      27.64053 26.33224       27.97299 14.36632 6.881620 19.84694 8.384057 -5.480615      10.84662 
1 1 1 -32 2  22 o 24.87672 7.662053 44.02856       20.48993 66.37941       28.40082 19.76676       29.59003 28.73314 9.047772 18.77133 8.272112 9.961815       12.25928 
1 1 1 -32 2  23 o 27.39370 8.022894 54.83960       22.88706 51.26000       35.12684 57.48024       30.17006 23.68066 9.641395 25.84146 9.320640 -2.160799      13.41010 
1 1 1 -32 2  24 o 24.70404 8.490235 48.11787       24.81139 25.80426       28.43078 119.4000       50.81525 19.50247 8.352448 31.04903 11.91642 -11.54656      14.55213 
1 1 1 -32 2  25 o 18.10761 7.306491 20.37664       19.96663 15.96096       27.73109 25.12997       28.77181 17.90710 7.943985 19.41272 8.359477 -1.505613      11.53203 
1 1 1 -32 2  26 o 16.00881 6.966347 10.18966       20.40658 34.29576       28.57293 -14.90752      29.15437 21.04510 8.646622 14.56153 6.999271 6.483562       11.12447 
1 1 1 -32 2  27 o 16.32309 7.087516 11.83730       21.02623 15.42744       29.84671 8.300143       29.62569 17.90457 8.069403 16.96913 7.797723 0.9354382      11.22140 
1 1 1 -32 2  28 o 18.50203 7.546471 22.27977       21.56668 11.17603       29.92011 34.28788       31.11473 17.35629 7.923195 20.76681 8.810623 -3.410524      11.84922 
1 1 1 -32 2  29 o 20.41871 7.927616 30.97873       22.67917 18.85585       31.23820 44.49033       32.97892 18.38477 8.273238 22.25830 9.231124 -3.873539      12.39597 
1 1 1 -32 2  30 o 23.96877 8.076746 44.20811       22.43833 35.47153       30.62507 54.33360       32.96967 20.87140 8.792275 24.04615 9.492373 -3.174746      12.93867 
1 1 1 -32 2  31 o 19.81633 7.782483 28.47789       22.06135 42.79631       30.57681 12.93075       31.86178 22.13906 9.002172 17.65137 8.102168 4.487692       12.11133 
1 1 1 -32 2  32 o 13.77528 6.608008 -13.02473      25.69048 19.32587       30.00402 -101.9000      49.73117 18.20917 8.158020 13.64639 6.937945 4.562777       10.70927 
1 1 1 -32 2  33 o 19.00737 8.079662 25.83222       26.25213 30.37772       30.87132 13.96000       49.89187 19.75289 8.582263 18.71186 9.034799 1.041029       12.46125 
1 1 1 -32 2  34 o 12.00849 5.870341 -24.17650      22.88359 4.658801       30.91924 -59.10229      34.02826 16.43092 7.691289 12.49540 6.277960 3.935518       9.928178 
1 1 1 -32 2  35 o 22.38548 9.464644 51.74037       35.69912 0.000000       0.000000 51.74037       35.69912 ?        ?        22.38548 9.464644 ?              ?        
1 1 1 -32 2  36 o 20.12343 8.880478 37.26079       34.21610 0.000000       0.000000 37.26079       34.21610 ?        ?        20.12343 8.880478 ?              ?        
1 1 1 -32 2  37 o 13.16557 6.290671 -9.054205      22.78646 -3.424385      31.10265 -15.57684      33.47816 15.18250 7.279823 14.56038 7.114089 0.6221170      10.17871 
1 1 1 -32 2  38 o 31.40133 8.797237 84.83987       28.11376 68.81298       34.34282 117.4000       48.95020 24.58861 9.693752 27.45101 11.30206 -2.862398      14.88978 
1 1 1 -32 3  1  o 49.41081 4.169011 130.4158       19.97533 114.3175       28.69798 145.5454       27.82120 43.15582 7.035870 50.41301 5.740150 -7.257183      9.080352 
1 1 1 -32 3  2  o 47.93333 4.318088 123.5123       20.04284 115.2938       28.84258 131.1870       27.87204 43.33294 7.041531 47.34435 6.160378 -4.011410      9.355929 
1 1 1 -32 3  3  o 54.01220 4.083869 155.2192       21.43088 120.9413       30.37128 189.2122       30.24480 44.07123 7.295491 57.99961 5.389100 -13.92838      9.070093 
1 1 1 -32 3  4  o 36.62448 5.981085 78.23705       20.70226 59.32000       32.28479 91.44744       26.97921 27.62636 9.674350 37.94672 7.529391 -10.32037      12.25907 
1 1 1 -32 3  5  o 41.04778 5.485925 95.70145       21.49038 98.83000       34.77720 93.76881       27.33374 36.61321 9.591221 38.41035 7.539467 -1.797142      12.19980 
1 1 1 -32 3  6  o 18.24243 7.140507 18.23192       18.51944 41.07000       29.55011 3.459788       23.76571 23.81389 9.100266 16.22945 7.266606 7.584442       11.64553 
1 1 1 -32 3  7  o 20.19845 7.309764 25.26271       18.57568 70.87000       29.78988 -3.752079      23.76081 31.10987 9.164494 15.17380 6.976618 15.93608       11.51786 
1 1 1 -32 3  8  o 27.92340 7.236451 49.86505       19.93873 46.99000       30.68696 51.96560       26.22994 24.96291 9.332624 26.89963 8.719441 -1.936726      12.77210 
1 1 1 -32 3  9  o 29.76760 7.501211 57.53682       21.84451 49.35000       31.01100 65.60000       30.77594 25.38603 9.402734 29.32465 9.439699 -3.938620      13.32364 
1 1 1 -32 3  10 o 36.66343 6.826645 82.61186       23.59764 68.64000       32.82268 97.56000       33.95006 29.46618 9.765504 36.36956 9.451485 -6.903383      13.59028 
1 1 1 -32 3  11 o 42.69125 6.127801 107.5599       24.87343 86.21000       35.56564 128.0000       34.79955 32.77359 10.09468 43.45701 8.485587 -10.68342      13.18741 
1 1 1 -32 3  12 o 11.54710 5.551794 -18.51176      18.37064 -19.37648      24.64244 -17.43000      27.56204 13.49507 6.473126 14.46679 6.914080 -0.9717169     9.471318 
1 1 1 -32 3  13 o 28.46724 7.300348 52.75640       20.43767 23.28872       26.39303 96.89000       32.29989 19.82893 8.243809 36.54611 9.071743 -16.71718      12.25793 
1 1 1 -32 3  14 o 32.34762 6.829073 65.38472       20.94289 64.21390       26.97909 67.16000       33.22116 29.71848 8.712523 28.62218 9.824736 1.096302       13.13139 
1 1 1 -32 3  15 o 11.60167 5.588268 -19.11242      18.81328 0.5363943      24.49948 -47.35000      29.36989 15.72776 7.175889 12.56086 6.235163 3.166902       9.506347 
1 1 1 -32 3  16 o 17.06439 7.027929 14.43534       18.93538 35.39665       26.16442 -8.616793      27.43832 22.16945 8.539821 15.20619 7.158111 6.963262       11.14303 
1 1 1 -32 3  17 o 29.06579 7.712527 57.39109       22.30253 32.23345       27.83539 102.5000       37.27293 21.39345 8.628836 35.19331 10.21897 -13.79986      13.37476 
1 1 1 -32 3  18 o 26.07376 8.399662 49.83818       24.36480 34.60000       45.06610 56.13192       28.96261 21.83711 9.871783 26.61890 9.172078 -4.781786      13.47513 
1 1 1 -32 3  19 o 13.67282 6.290520 -3.559313      19.36025 -6.674809      27.00776 -0.2661734     27.76707 15.19400 7.136497 16.09079 7.449287 -0.8967924     10.31608 
1 1 1 -32 3  20 f 17.32710 7.158351 16.03309       19.72644 -2.469611      27.64796 35.21889       28.15370 15.73408 7.334739 21.64946 8.696941 -5.915380      11.37696 
1 1 1 -32 3  21 o 19.46641 7.458921 25.21932       19.88727 39.35920       27.86299 10.53511       28.39423 22.34152 8.754499 17.37857 7.847960 4.962952       11.75720 
1 1 1 -32 3  22 o 13.47144 6.232048 -4.077293      19.38091 -13.93112      27.05801 6.304546       27.77349 14.27259 6.829197 16.68501 7.623202 -2.412426      10.23480 
1 1 1 -32 3  23 o 41.89255 5.485297 103.5937       21.95298 96.58344       30.51016 111.1192       31.61154 35.79807 8.776049 39.02695 8.515104 -3.228878      12.22808 
1 1 1 -32 3  24 o 18.84376 7.630822 23.34391       21.86617 0.4855000      33.56086 40.20483       28.82376 16.73387 7.889338 22.14365 8.832146 -5.409775      11.84265 
1 1 1 -32 3  25 o 16.25670 7.306005 7.873974       24.27138 7.773175       28.08945 8.171000       48.21836 16.81569 7.676629 18.83094 9.038391 -2.015247      11.85846 
1 1 1 -32 3  26 o 45.45207 5.446426 121.7957       23.74907 123.3484       32.67664 120.0571       34.57634 41.40320 8.351485 39.45977 9.132823 1.943432       12.37561 
1 1 1 -32 3  27 o 21.02723 7.788930 32.57457       21.28039 31.95602       29.08286 33.28740       31.22078 20.41218 8.581622 20.58811 8.783325 -0.1759319     12.27970 
1 1 1 -32 3  28 o 13.27126 6.244162 -7.674602      20.83292 -22.54372      28.02994 10.67616       31.13914 13.58246 6.608074 17.42407 8.002234 -3.841608      10.37798 
1 1 1 -32 3  29 o 13.62244 6.379334 -5.599340      21.30834 -32.35500      29.13338 25.17854       31.24657 13.06051 6.432544 19.25152 8.491431 -6.191009      10.65279 
1 1 1 -32 3  30 o 41.39092 6.310079 107.8547       24.75768 121.5832       34.39481 93.09344       35.66502 39.38023 9.104897 31.55319 10.16231 7.827038       13.64448 
1 1 1 -32 3  31 o 13.29193 6.308934 -9.966471      22.15347 -0.2137125     30.09239 -21.50625      32.73344 15.96230 7.508524 14.55052 7.092885 1.411774       10.32894 
1 1 1 -32 3  32 o 17.28588 7.683531 15.21322       26.07101 32.86285       30.60151 -31.51000      49.78992 20.21547 8.661786 16.24653 8.073792 3.968937       11.84114 
1 1 1 -32 3  33 o 11.00785 5.447503 -32.68986      21.78129 -27.47894      29.53337 -38.90460      32.25277 13.37212 6.564206 13.19656 6.547849 0.1755514      9.271630 
1 1 1 -32 3  34 o 36.23349 8.034694 96.09892       27.74874 111.1000       43.19744 85.56019       36.20685 31.18530 11.16463 28.99848 10.23779 2.186819       15.14799 
1 1 1 -32 3  35 o 12.66550 6.195832 -23.62563      25.62303 -36.67000      40.61560 -15.00187      33.02400 14.60829 7.265068 14.79378 7.191754 -0.1854916     10.22265 
1 1 1 -32 3  36 o 16.27123 7.522649 9.167479       28.17566 -29.03000      49.78778 27.16426       34.17455 15.89835 7.928669 18.78825 8.534428 -2.889902      11.64904 
1 1 1 -32 3  37 o 18.76535 7.854244 27.94916       24.19530 22.71152       33.69185 33.52679       34.76816 17.99121 8.284949 19.26866 8.694471 -1.277449      12.00976 
1 1 1 -32 3  38 o 20.31766 8.415339 38.18455       27.35808 38.17703       33.36073 38.20000       47.80661 19.76363 8.743075 19.23548 9.169007 0.5281563      12.66934 
1 1 1 -32 4  1  o 21.29885 7.099420 28.54747       17.34152 28.73102       25.27975 28.38432       23.83333 21.21325 8.330914 21.10496 8.145042 0.1082897      11.65100 
1 1 1 -32 4  2  o 14.50564 6.330663 3.594906       16.95712 -16.65152      24.53783 22.10236       23.46040 13.85596 6.594666 19.65224 7.923447 -5.796276      10.30876 
1 1 1 -32 4  3  o 15.31334 6.612464 6.002352       18.09965 -21.57000      28.17120 25.38486       23.61965 14.36146 6.897171 20.39216 8.039220 -6.030696      10.59245 
1 1 1 -32 4  4  o 37.08764 5.921019 80.04545       20.77232 103.4000       33.28023 65.14015       26.58709 38.39091 9.011724 30.58228 8.550435 7.808628       12.42260 
1 1 1 -32 4  5  o 44.74419 5.056962 111.3827       21.76022 86.10000       33.86225 129.1673       28.40043 33.68776 9.727870 46.64476 6.388008 -12.95700      11.63779 
1 1 1 -32 4  6  o 49.13352 4.933412 133.4435       23.40566 170.9000       39.43786 113.0770       29.08087 51.07330 8.163602 42.60323 7.231940 8.470074       10.90621 
1 1 1 -32 4  7  o 55.97793 4.536001 170.0776       24.64124 201.0000       40.42973 151.8020       31.08133 56.45008 7.502537 50.49370 6.434612 5.956383       9.883942 
1 1 1 -32 4  8  o 30.85026 6.869404 59.10096       20.21076 42.99000       31.35162 70.55702       26.43729 24.00098 9.320236 32.09646 8.340129 -8.095480      12.50698 
1 1 1 -32 4  9  o 20.00469 7.691266 24.61934       21.19472 42.41000       30.48085 7.965000       29.49136 23.89413 9.213893 17.89906 8.047986 5.995071       12.23380 
1 1 1 -32 4  10 o 35.47197 7.013290 78.43433       23.48755 40.71000       32.68810 118.7000       33.77119 23.38763 9.379438 41.72486 8.556284 -18.33723      12.69582 
1 1 1 -32 4  11 o 33.07772 6.665128 67.22931       20.83337 39.61351       27.03571 107.6000       32.68828 23.40211 8.757648 39.32441 8.720889 -15.92230      12.35922 
1 1 1 -32 4  12 o 16.54091 6.919223 11.76818       18.76120 11.75946       24.73276 11.78000       28.79220 17.56769 7.656654 18.17639 8.077241 -0.6086922     11.12952 
1 1 1 -32 4  13 o 26.24652 7.560230 46.11386       20.47653 53.48827       27.62389 37.12000       30.50662 26.60633 8.961547 22.54119 9.053795 4.065142       12.73894 
1 1 1 -32 4  14 o 19.00899 7.394899 21.69948       19.76393 17.84502       26.28881 26.71000       29.97301 18.77671 8.036413 20.59771 8.688727 -1.820993      11.83545 
1 1 1 -32 4  15 o 14.80426 6.628626 2.064653       19.77694 15.99471       25.47876 -19.05000      31.36850 18.28857 7.870882 15.09320 7.256209 3.195366       10.70530 
1 1 1 -32 4  16 o 26.22055 8.581084 51.08644       25.37264 -58.43000      44.84048 102.6656       30.77286 15.14640 7.549018 38.37593 8.423745 -23.22952      11.31137 
1 1 1 -32 4  17 o 18.09151 7.253207 18.58979       19.54136 -9.024052      26.10069 53.81165       29.47777 14.82506 6.979552 25.98285 9.231420 -11.15779      11.57295 
1 1 1 -32 4  18 o 16.17695 6.883324 10.61805       19.08617 18.67561       25.94717 1.118128       28.17398 18.66801 7.986818 16.40208 7.561463 2.265928       10.99841 
1 1 1 -32 4  19 f 16.46488 6.917868 12.48821       18.88105 3.665510       25.72974 22.78273       27.79315 16.18710 7.373274 19.40153 8.282425 -3.214430      11.08890 
1 1 1 -32 4  20 o 12.90418 6.014541 -6.787818      18.57870 -9.547005      25.20727 -3.506434      27.48930 14.37750 6.796210 15.55230 7.270942 -1.174808      9.952641 
1 1 1 -32 4  21 o 14.06171 6.379416 0.3679653      19.02146 -5.345038      26.47849 6.460176       27.34315 15.04982 7.067973 16.65138 7.590998 -1.601559      10.37205 
1 1 1 -32 4  22 o 19.30478 7.447963 24.81193       19.92391 -1.612122      27.64589 53.36734       28.73923 15.68495 7.319343 25.27832 9.099599 -9.593373      11.67799 
1 1 1 -32 4  23 o 12.00089 5.754620 -15.41481      19.44162 10.57944       27.37893 -41.85307      27.61176 17.11151 7.718795 12.16655 6.040497 4.944961       9.801397 
1 1 1 -32 4  24 o 46.95793 5.176647 127.9833       23.39944 89.65533       31.82589 173.0799       34.52188 33.10302 9.390213 51.50900 7.030372 -18.40599      11.73040 
1 1 1 -32 4  25 o 13.75844 6.380214 -3.822696      20.49773 11.19281       27.88440 -21.47569      30.23433 17.25134 7.785077 14.23412 6.910823 3.017219       10.40994 
1 1 1 -32 4  26 o 28.71864 7.818783 59.24941       22.56524 70.76887       30.86181 46.01658       33.07742 28.58916 9.469110 22.76469 9.322621 5.824463       13.28816 
1 1 1 -32 4  27 o 30.02298 8.494132 69.31054       26.07634 70.94697       30.35327 64.70000       50.94867 28.62429 9.386636 23.38520 10.54087 5.239086       14.11450 
1 1 1 -32 4  28 o 18.60582 7.550333 22.91029       21.45909 11.01924       29.07249 37.14346       31.80701 17.20426 7.836986 21.15853 8.939253 -3.954271      11.88817 
1 1 1 -32 4  29 o 21.61522 7.919070 35.39732       21.89624 23.52665       29.60762 49.72719       32.53022 18.94291 8.313633 23.23183 9.342978 -4.288918      12.50631 
1 1 1 -32 4  30 o 15.79255 7.020568 8.647992       21.77255 14.79169       29.49092 1.287371       32.27979 17.66659 7.986153 16.43602 7.745348 1.230570       11.12515 
1 1 1 -32 4  31 o 13.10480 6.339921 -18.53743      24.86803 -25.49915      28.85363 1.570000       49.03659 13.46215 6.583266 18.08387 8.784827 -4.621723      10.97782 
1 1 1 -32 4  32 f 18.59165 7.962643 23.42937       25.84067 32.34454       30.63153 1.426000       48.12253 20.08936 8.637826 17.83241 8.671801 2.256941       12.23978 
1 1 1 -32 4  33 o 15.15946 6.930656 4.059034       23.00485 15.25663       32.02289 -7.882768      33.06992 17.72278 8.130385 15.53249 7.463004 2.190290       11.03629 
1 1 1 -32 4  34 o 25.99212 8.902802 58.67924       27.27505 113.8000       43.81450 23.80382       34.85138 31.28982 11.23904 18.82852 8.578321 12.46130       14.13873 
1 1 1 -32 4  35 o 17.02816 7.418469 16.85470       23.19773 14.61276       31.75771 19.41937       33.96666 17.37132 8.015343 18.05214 8.315056 -0.6808186     11.54928 
1 1 1 -32 4  36 o 17.50094 7.863905 18.90822       28.10694 6.481000       49.63738 24.77338       34.10057 17.63649 8.626740 18.46000 8.439045 -0.8235188     12.06806 
1 1 1 -32 4  37 o 19.19982 8.245541 31.61395       27.84987 38.12000       50.13938 28.71108       33.49149 19.31896 9.257835 18.63595 8.458721 0.6830082      12.54023 
1 1 1 -32 4  38 o 11.71543 5.763145 -25.04909      23.15476 -12.14004      32.26017 -38.76575      33.25399 14.50842 7.065456 12.98185 6.475064 1.526569       9.583691 
1 1 1 -32 5  1  o 55.67984 5.260893 173.7003       28.33241 182.5000       41.47373 166.0000       38.79631 52.51642 8.347125 50.36927 8.146983 2.147156       11.66395 
1 1 1 -32 5  2  o 20.67841 7.740689 26.93210       21.12461 42.98000       30.58338 12.29000       29.21314 24.13694 9.249460 18.55256 8.195619 5.584383       12.35802 
1 1 1 -32 5  3  o 19.60838 7.266891 23.24897       18.52750 34.50000       29.78292 16.14627       23.66371 22.42183 8.966242 18.41344 7.741093 4.008389       11.84559 
1 1 1 -32 5  4  o 27.16467 7.194073 47.12821       19.42877 47.38000       30.69708 46.95993       25.09470 25.06308 9.341311 25.76014 8.538889 -0.6970539     12.65594 
1 1 1 -32 5  5  o 17.51183 7.022566 15.56569       18.32315 -4.935000      28.58524 29.86393       23.87255 16.15307 7.505692 21.40702 8.179706 -5.253946      11.10149 
1 1 1 -32 5  6  o 26.49313 7.366001 45.53371       19.79082 61.86000       31.50327 34.88984       25.43676 28.24045 9.569998 22.55439 8.483328 5.686056       12.78873 
1 1 1 -32 5  7  o 22.35700 7.536811 32.74213       19.53854 24.77000       30.66218 38.19220       25.35227 20.59699 8.742761 23.33442 8.525570 -2.737434      12.21152 
1 1 1 -32 5  8  o 25.52460 7.932382 44.31238       21.90426 64.74000       31.95190 26.20000       30.08676 28.73734 9.637726 20.77643 8.731236 7.960915       13.00462 
1 1 1 -32 5  9  o 28.61266 7.718409 54.43142       22.11047 42.04000       32.26705 65.40000       30.35806 23.65523 9.374077 29.26960 9.370859 -5.614363      13.25467 
1 1 1 -32 5  10 o 15.89933 6.779818 8.757841       18.58667 16.61235       25.19534 -0.6202000     27.53067 18.55501 7.902347 16.34018 7.511729 2.214827       10.90290 
1 1 1 -32 5  11 o 24.29800 7.507536 39.41572       19.65328 4.525291       25.44907 90.97000       30.93507 16.56296 7.459189 35.62475 8.898238 -19.06179      11.61112 
1 1 1 -32 5  12 o 18.99259 7.312019 21.67650       19.17424 -3.872901      25.08539 57.58000       29.73712 15.31542 7.086862 27.16897 9.296225 -11.85355      11.68946 
1 1 1 -32 5  13 o 26.92315 7.398324 47.86712       20.09563 42.17469       26.38551 55.73000       31.01040 23.92716 8.704350 26.43327 9.459968 -2.506102      12.85522 
1 1 1 -32 5  14 o 22.14400 7.678661 33.20650       20.31176 4.835175       25.69890 80.43000       33.15535 16.57244 7.476690 31.71291 9.742768 -15.14047      12.28098 
1 1 1 -32 5  15 o 20.22929 8.411263 26.09145       27.48084 4.781000       45.48751 38.34000       34.48564 19.17283 9.082700 22.42408 9.380626 -3.251249      13.05724 
1 1 1 -32 5  16 o 29.76975 7.533826 59.24730       21.96815 52.95797       27.34268 70.70000       36.89716 26.23231 8.915383 28.07468 10.28076 -1.842367      13.60802 
1 1 1 -32 5  17 o 15.63816 6.795360 7.550495       19.35939 -9.207930      26.07218 28.14520       28.90271 14.78176 6.964279 20.58270 8.597428 -5.800941      11.06422 
1 1 1 -32 5  18 o 31.13354 6.950669 62.34378       20.64506 33.42611       27.92565 97.19791       30.65835 21.43961 8.644459 36.67370 8.676942 -15.23409      12.24810 
1 1 1 -32 5  19 o 24.02747 7.513486 39.99624       19.61929 29.93176       27.00284 51.25006       28.55379 20.64231 8.434783 25.16570 9.068762 -4.523388      12.38499 
1 1 1 -32 5  20 o 17.25255 7.050475 16.45592       18.86945 -0.9968048     25.69145 36.89759       27.80451 15.44804 7.156512 21.87108 8.690578 -6.423038      11.25797 
1 1 1 -32 5  21 o 12.93331 6.027357 -6.287011      18.64853 -0.5851761     25.66411 -12.66542      27.14408 15.43033 7.149837 14.40816 6.879313 1.022172       9.921951 
1 1 1 -32 5  22 f 19.03628 7.372246 23.87300       19.57532 25.46923       27.03618 22.11414       28.38007 19.51536 8.243152 19.00111 8.242348 0.5142422      11.65701 
1 1 1 -32 5  23 o 23.15064 7.818461 39.43846       21.02614 35.28965       28.37801 44.48835       31.30838 21.21722 8.655540 22.73777 9.158285 -1.520546      12.60129 
1 1 1 -32 5  24 o 33.06273 7.091994 72.56035       22.26348 49.62859       30.21566 99.79684       32.92979 23.90748 9.185503 35.16439 9.390291 -11.25691      13.13587 
1 1 1 -32 5  25 o 22.02732 7.840972 35.68092       21.27592 48.03112       28.71066 20.63804       31.68631 23.86111 9.004475 18.88532 8.427711 4.975788       12.33316 
1 1 1 -32 5  26 o 16.28274 7.070246 11.64439       20.92543 13.12341       28.15001 9.817778       31.28344 17.43712 7.849632 17.36124 7.990674 0.7587433E-01  11.20123 
1 1 1 -32 5  27 o 20.78287 8.116291 32.65424       23.88174 11.69000       36.60189 48.19530       31.51406 18.04203 8.420130 23.20060 9.241270 -5.158567      12.50199 
1 1 1 -32 5  28 o 26.22032 8.659850 55.82571       25.81767 84.90791       30.57563 -16.42000      48.19122 32.07530 9.238092 17.03216 8.365762 15.04314       12.46308 
1 1 1 -32 5  29 o 21.42682 7.960830 34.92029       22.26081 3.022143       30.24076 72.64927       32.88876 16.35278 7.638940 27.93082 9.765604 -11.57804      12.39840 
1 1 1 -32 5  30 o 17.27601 7.660893 14.66481       25.76378 21.89821       30.16093 -4.860000      49.55265 18.67997 8.285893 17.74644 8.667384 0.9335384      11.99081 
1 1 1 -32 5  31 o 22.53821 8.627204 42.50932       26.58702 38.84825       31.09149 52.47000       51.28406 21.30500 8.909376 21.88939 10.13026 -0.5843906     13.49070 
1 1 1 -32 5  32 o 46.77706 5.601203 132.4951       25.13676 119.5185       34.69086 146.8398       36.47359 38.14251 9.362388 43.63630 8.842600 -5.493790      12.87812 
1 1 1 -32 5  33 o 21.42646 8.402738 37.88939       25.68643 15.87000       39.85467 53.53467       33.59450 18.31252 8.622423 23.35989 9.458869 -5.047367      12.79908 
1 1 1 -32 5  34 o 21.63481 8.125114 37.95850       23.31481 26.53721       32.05966 50.77935       33.96719 19.01234 8.481283 22.59201 9.368872 -3.579674      12.63756 
1 1 1 -32 5  35 o 11.55288 5.670652 -25.41259      22.02449 -42.34298      29.68676 -4.685622      32.84712 12.30480 6.134286 15.54071 7.459359 -3.235913      9.657717 
1 1 1 -32 5  36 o 17.76424 7.622333 22.01220       23.76010 4.954903       32.73916 40.99380       34.53655 16.21591 7.688845 20.43318 8.972991 -4.217270      11.81664 
1 1 1 -32 5  37 o 15.88479 7.405262 8.280911       28.18626 21.06000       50.62302 2.539255       33.93257 18.12403 8.831697 15.90816 7.621398 2.215872       11.66553 
1 1 1 -32 5  38 o 15.43442 7.454301 -1.761426      34.01825 9.877000       49.98912 -11.80000      46.42633 17.27733 8.493009 15.93965 7.899654 1.337682       11.59895 
1 1 1 -32 6  1  f 23.66849 8.015270 38.02958       22.09856 21.83000       32.38207 52.15000       30.23268 20.29871 8.804784 26.16665 9.343309 -5.867935      12.83829 
1 1 1 -32 6  2  o 33.40099 7.444994 71.40142       23.71861 78.24000       35.64961 65.97000       31.77082 31.06084 10.17192 29.18565 9.605036 1.875196       13.99016 
1 1 1 -32 6  3  o 30.56590 7.662243 61.16295       22.87812 9.458000       32.28744 113.3000       32.42207 18.55581 8.375160 41.15491 8.334581 -22.59909      11.81561 
1 1 1 -32 6  4  o 20.40188 7.654602 26.10892       20.68198 44.58000       30.50738 10.40000       28.13403 24.39322 9.264463 18.05402 8.005734 6.339201       12.24427 
1 1 1 -32 6  5  o 35.70918 6.694768 77.80552       22.54082 67.12000       33.18362 86.96000       30.71445 29.03510 9.822024 34.97467 8.939171 -5.939568      13.28085 
1 1 1 -32 6  6  o 49.37183 5.490211 138.7375       26.08408 116.6000       37.40182 159.7000       36.39568 39.56282 9.727515 49.90018 7.698839 -10.33735      12.40551 
1 1 1 -32 6  7  o 20.54198 7.727551 26.79932       21.10805 13.29000       30.48559 39.24000       29.25500 18.76088 8.325609 23.26105 9.011378 -4.500174      12.26869 
1 1 1 -32 6  8  o 19.17228 7.320640 21.96995       19.11273 26.92071       25.99047 16.14000       28.20398 20.65774 8.335888 18.87161 8.201210 1.786131       11.69388 
1 1 1 -32 6  9  o 14.26632 6.420570 -0.1117953     18.81945 -18.82216      25.78128 21.23000       27.53460 13.87464 6.646111 19.61367 8.303361 -5.739038      10.63563 
1 1 1 -32 6  10 o 14.40823 6.438522 1.315187       18.56008 15.05349       25.52802 -14.09000      27.03237 18.24683 7.865934 14.63865 6.954194 3.608180       10.49923 
1 1 1 -32 6  11 o 15.52742 6.739073 6.787262       18.99246 42.44407       25.96408 -34.25000      27.85422 24.06038 8.650626 13.07272 6.408555 10.98767       10.76582 
1 1 1 -32 6  12 o 37.12794 6.133556 82.22118       21.51283 67.36178       28.06262 103.4000       33.50261 30.20265 8.894207 37.59831 9.183631 -7.395664      12.78460 
1 1 1 -32 6  13 o 18.82746 7.541344 20.72511       21.10472 8.077559       27.23073 39.75000       33.39774 17.31744 7.764158 22.83145 9.360806 -5.514009      12.16170 
1 1 1 -32 6  14 o 15.77335 6.938579 6.439802       20.73253 1.929339       26.68403 13.31000       32.93256 16.31183 7.460080 18.72930 8.455482 -2.417475      11.27599 
1 1 1 -32 6  15 o 28.87581 7.516522 55.86391       21.44839 75.86121       26.82913 20.45000       35.70326 32.79527 8.340018 19.82293 8.888690 12.97234       12.18871 
1 1 1 -32 6  16 f 21.16926 7.711616 30.36531       20.72014 20.53866       25.78919 48.26000       34.80144 19.04153 8.047298 24.03528 9.664491 -4.993752      12.57622 
1 1 1 -32 6  17 o 18.34621 7.326270 19.81730       19.85651 -12.67445      27.37900 55.87093       28.84068 14.68153 6.981452 26.47456 9.151400 -11.79302      11.51038 
1 1 1 -32 6  18 o 28.47696 7.297067 54.16179       20.43042 25.83608       27.43814 89.40767       30.60684 19.90951 8.350656 34.47643 8.981314 -14.56692      12.26366 
1 1 1 -32 6  19 o 44.63613 5.190860 114.6213       22.25684 96.78306       30.35847 135.3510       32.72660 36.38171 8.651956 44.83600 7.736535 -8.454292      11.60648 
1 1 1 -32 6  20 o 23.98974 7.564207 40.68555       19.84438 18.52204       27.35900 65.29111       28.82687 18.40858 8.037489 28.29483 9.138368 -9.886248      12.17009 
1 1 1 -32 6  21 o 18.51509 7.351846 21.72414       19.88457 34.77737       27.22620 6.801783       29.11030 21.33159 8.558265 16.92279 7.759093 4.408792       11.55194 
1 1 1 -32 6  22 o 13.50621 6.266944 -4.342638      19.82075 0.8866828      26.55630 -10.91934      29.78168 15.71115 7.277554 15.05821 7.194102 0.6529360      10.23318 
1 1 1 -32 6  23 o 21.48100 7.840824 33.95884       21.43575 18.25698       28.87928 53.22305       31.98796 18.30540 8.114462 24.30539 9.420997 -5.999998      12.43381 
1 1 1 -32 6  24 o 13.39452 6.258388 -6.040677      20.31590 0.7760597      27.29744 -14.50455      30.41712 15.80325 7.340251 14.83404 7.135134 0.9692163      10.23667 
1 1 1 -32 6  25 o 12.91310 6.104388 -9.849794      20.34266 -9.883287      27.63255 -9.810163      30.05796 14.70074 6.997145 15.18484 7.247115 -0.4841003     10.07376 
1 1 1 -32 6  26 o 30.97057 7.610781 67.40041       22.90462 89.08218       32.36626 45.64946       32.41785 32.36602 9.557309 22.60142 9.239385 9.764597       13.29317 
1 1 1 -32 6  27 o 34.09676 6.996392 77.03493       22.56687 78.34344       31.29016 75.61652       32.57749 30.11408 9.498766 28.90055 9.731931 1.213535       13.59916 
1 1 1 -32 6  28 o 18.29420 7.729049 21.29947       23.77758 -12.34000      36.44206 46.23732       31.37674 15.85590 7.671804 22.71182 9.161053 -6.855918      11.94912 
1 1 1 -32 6  29 o 28.87951 8.739553 66.97447       26.81206 60.91293       31.65906 82.35000       50.42213 25.64997 9.500478 25.20819 10.96018 0.4417820      14.50464 
1 1 1 -32 6  30 o 24.69791 8.772985 51.37758       26.62141 65.47538       31.54878 16.52000       49.60845 26.63896 9.540781 19.09604 9.166187 7.542923       13.23048 
1 1 1 -32 6  31 o 22.08524 8.038211 38.14533       22.50535 41.51960       31.00979 34.39017       32.71323 21.68769 8.968909 20.41485 8.852453 1.272839       12.60188 
1 1 1 -32 6  32 o 16.87588 7.485004 13.92941       24.60693 53.17000       38.75703 -12.57075      31.84982 22.57505 9.711509 14.95054 7.218684 7.624508       12.10053 
1 1 1 -32 6  33 o 15.81671 7.237950 6.257730       25.16802 35.43000       38.69565 -15.13137      33.13396 20.27622 9.158589 14.95371 7.254222 5.322513       11.68347 
1 1 1 -32 6  34 o 12.20823 5.923426 -18.63961      22.11819 -0.5451784     29.67445 -41.25836      33.17757 15.54692 7.356412 13.12876 6.535332 2.418153       9.840090 
1 1 1 -32 6  35 o 18.63339 7.721204 25.78223       23.04533 -7.435823      31.13179 66.05071       34.27675 15.01050 7.219616 24.88040 9.721497 -9.869898      12.10910 
1 1 1 -32 6  36 o 19.88209 7.944778 32.70634       23.36609 33.25087       32.03782 32.08754       34.15277 19.39241 8.573924 19.17557 8.637976 0.2168369      12.17074 
1 1 1 -32 6  37 o 14.72270 7.017134 -1.951958      27.98464 57.57000       50.78078 -27.91284      33.53672 20.50833 9.679703 13.62235 6.744609 6.885974       11.79773 
1 1 1 -32 7  1  o 24.97833 8.003684 42.69587       22.14255 55.51000       33.91936 33.18000       29.22990 26.25578 9.812680 22.03940 8.858823 4.216379       13.21996 
1 1 1 -32 7  2  o 22.46332 8.041751 34.09100       22.41123 39.05000       33.82361 30.21000       29.92228 23.08411 9.437250 21.48014 8.839341 1.603970       12.93042 
1 1 1 -32 7  3  o 46.97667 5.747689 127.3672       25.87918 134.9000       37.76783 120.7000       35.53181 43.72894 9.119326 41.41953 9.020184 2.309406       12.82676 
1 1 1 -32 7  4  o 53.58064 5.444212 163.0182       28.15679 98.44000       39.78842 227.8000       39.85109 34.15245 10.70284 61.21045 6.764025 -27.05799      12.66108 
1 1 1 -32 7  5  o 37.60250 6.887547 87.28543       24.41664 77.04000       35.17763 96.81000       33.91752 30.72567 10.10666 36.10802 9.478252 -5.382355      13.85575 
1 1 1 -32 7  6  o 54.21011 5.222286 165.2780       27.36815 178.1000       40.19876 154.2000       37.36520 51.82909 8.196010 48.15846 8.221518 3.670628       11.60896 
1 1 1 -32 7  7  o 15.65193 6.718750 7.724417       18.47499 15.37775       25.20689 -1.159000      27.15714 18.32492 7.856719 16.18686 7.448300 2.138067       10.82614 
1 1 1 -32 7  8  o 22.57944 7.432793 33.71564       19.02499 32.70242       25.44578 35.00000       28.64894 21.81782 8.417149 22.23580 8.826061 -0.4179802     12.19622 
1 1 1 -32 7  9  o 11.62805 5.561905 -16.16384      17.91393 -24.17514      23.93507 -5.961000      27.01117 12.79968 6.198909 15.50849 7.236282 -2.708816      9.528392 
1 1 1 -32 7  10 o 23.08599 7.596882 35.91876       19.87491 0.7282553      26.03732 85.05000       30.76538 16.11380 7.369366 33.99796 9.075379 -17.88416      11.69060 
1 1 1 -32 7  11 o 24.97875 7.598744 42.11202       20.23274 35.39972       27.04058 50.65000       30.49705 22.27538 8.654189 25.33592 9.335129 -3.060541      12.72948 
1 1 1 -32 7  12 o 34.31262 8.621321 83.69023       28.91580 42.26000       48.59519 106.4000       35.97832 22.94033 10.32141 37.03720 9.780958 -14.09687      14.21966 
1 1 1 -32 7  13 o 36.68690 6.433243 82.19937       22.25999 83.54112       28.10285 79.94000       36.46761 34.50443 8.400726 30.29605 10.29612 4.208387       13.28842 
1 1 1 -32 7  14 o 22.09723 7.800013 33.75081       21.01620 15.73728       26.09957 66.97000       35.44284 18.22679 7.905370 27.60907 10.08152 -9.382275      12.81140 
1 1 1 -32 7  15 o 23.85060 7.796946 39.65332       20.95004 28.13730       25.90381 61.43000       35.62117 20.52393 8.307582 26.41856 10.01616 -5.894623      13.01304 
1 1 1 -32 7  16 o 22.47698 7.791181 35.21439       20.91051 33.28798       25.69715 38.99000       35.97535 21.57788 8.421333 22.32705 9.473262 -0.7491646     12.67523 
1 1 1 -32 7  17 o 19.68177 7.365019 25.33211       19.12048 27.16685       25.05432 22.77316       29.58872 20.12717 8.161767 19.50968 8.439583 0.6174908      11.74057 
1 1 1 -32 7  18 o 12.45720 5.866583 -9.848223      18.46564 -14.52284      24.73376 -3.961687      27.75538 13.74187 6.562724 15.56793 7.287271 -1.826058      9.806818 
1 1 1 -32 7  19 o 15.99655 6.924830 9.979350       19.94928 22.94571       27.85632 -3.672143      28.58280 19.20525 8.247162 15.67051 7.354398 3.534742       11.05002 
1 1 1 -32 7  20 o 25.80392 7.627051 47.14605       20.60439 34.28456       28.23059 61.80732       30.14119 21.17700 8.635328 26.91572 9.352736 -5.738718      12.72959 
1 1 1 -32 7  21 o 10.13987 5.047238 -37.50795      19.77822 -22.82988      26.88521 -54.82130      29.19909 13.39249 6.505583 11.83114 5.925968 1.561355       8.799984 
1 1 1 -32 7  22 o 20.88027 7.776446 31.60352       21.26592 48.40228       29.24361 12.74988       30.98061 23.80129 9.063233 17.76442 8.091352 6.036873       12.14958 
1 1 1 -32 7  23 o 14.07811 6.477986 -1.461502      20.54248 14.00147       27.87873 -19.83066      30.38583 17.59620 7.875049 14.36419 6.963211 3.232011       10.51203 
1 1 1 -32 7  24 o 19.74481 7.703363 27.16577       21.49648 8.360504       29.01845 50.03559       32.00117 16.99640 7.775578 23.71059 9.354394 -6.714184      12.16406 
1 1 1 -32 7  25 o 25.12014 7.905002 46.90590       21.68294 37.74586       30.00777 56.91387       31.36592 21.44563 8.841294 25.08220 9.423236 -3.636562      12.92153 
1 1 1 -32 7  26 o 21.61575 7.844827 34.97016       21.41445 16.91034       29.42841 55.29609       31.22017 18.01702 8.075092 24.65017 9.369719 -6.633146      12.36927 
1 1 1 -32 7  27 o 18.17227 7.456376 21.14221       21.21178 15.71482       29.42729 27.01204       30.60323 17.82616 8.025170 19.51557 8.511114 -1.689409      11.69797 
1 1 1 -32 7  28 o 17.52576 7.671743 16.56322       25.06629 -4.791153      29.49798 72.05000       47.54926 15.40549 7.302749 24.37289 10.61957 -8.967405      12.88819 
1 1 1 -32 7  29 f 36.46120 9.247644 107.3783       33.04811 122.1000       44.47630 89.23000       49.38187 33.38237 11.37020 26.16681 11.10054 7.215559       15.89036 
1 1 1 -32 7  30 o 25.09223 8.875832 53.76027       27.22475 52.84608       32.22432 56.04000       50.88723 23.74170 9.380633 22.23376 10.21796 1.507938       13.87094 
1 1 1 -32 7  31 o 24.36687 8.665884 50.33713       25.98256 68.17000       40.24131 37.58775       34.02562 24.62696 10.20376 20.74048 9.010713 3.886484       13.61285 
1 1 1 -32 7  32 o 14.61619 6.858702 -2.728938      24.84576 30.99000       38.17620 -27.50554      32.72477 19.74138 8.988007 13.98187 6.872783 5.759506       11.31457 
1 1 1 -32 7  33 o 16.16524 7.165583 11.31864       22.51865 20.11600       30.55183 0.8546666      33.32034 18.18372 8.182384 16.29701 7.735867 1.886709       11.26033 
1 1 1 -32 7  34 f 26.44729 8.241338 56.38407       23.62634 75.94434       32.31604 33.92347       34.62913 27.87853 9.684458 19.81002 8.827321 8.068508       13.10383 
1 1 1 -32 7  35 f 13.57368 6.419688 -5.592420      22.54813 -8.619035      30.73849 -2.066628      33.17664 14.79064 7.129046 15.68898 7.521603 -0.8983440     10.36329 
1 1 1 -32 7  36 o 12.86522 6.185110 -11.64461      22.79189 -18.23981      31.31298 -4.213457      33.23831 13.98367 6.842493 15.33745 7.397768 -1.353780      10.07704 
1 1 1 -32 7  37 o 12.28138 5.974237 -17.35095      22.88858 -33.80224      31.80187 0.3292889      32.96832 12.97909 6.450450 15.56748 7.472443 -2.588394      9.871459 
1 1 1 -32 8  1  f 37.93254 6.737061 88.23289       24.09797 74.67000       37.32194 97.93000       31.55797 29.49580 10.39592 37.34420 8.781817 -7.848400      13.60865 
1 1 1 -32 8  2  o 30.67257 7.578104 61.70998       22.61766 69.21000       34.75451 56.20000       29.78895 28.92878 10.04354 26.99789 9.302031 1.930891       13.68943 
1 1 1 -32 8  3  o 28.25650 7.982219 54.47224       23.04588 1.340000       34.55483 97.04000       30.92930 17.81187 8.268185 37.37428 8.629060 -19.56241      11.95088 
1 1 1 -32 8  4  o 50.56274 5.597980 146.8478       27.24211 131.0000       39.09876 161.8000       37.97801 41.90392 9.720985 49.39283 8.138492 -7.488914      12.67804 
1 1 1 -32 8  5  o 71.08418 4.927232 280.2995       34.07109 300.2000       50.60588 263.8000       46.07922 68.11889 7.726033 64.38725 7.448580 3.731636       10.73187 
1 1 1 -32 8  6  o 45.50138 5.350649 117.8454       23.37577 93.59808       30.47545 152.5000       36.43333 36.51694 8.658423 47.98806 8.040565 -11.47112      11.81605 
1 1 1 -32 8  7  o 28.37587 7.274638 52.40192       20.29834 48.31286       26.98576 57.73000       30.80407 25.39456 8.848101 26.96479 9.449360 -1.570227      12.94524 
1 1 1 -32 8  8  o 20.37177 7.391816 26.69543       19.01131 30.53389       25.75509 22.10000       28.18043 21.24827 8.389172 19.70144 8.372787 1.546824       11.85250 
1 1 1 -32 8  9  o 16.54808 6.932611 11.87195       18.87666 22.76192       25.79401 -0.6859000     27.69893 19.63527 8.155356 16.26195 7.497071 3.373314       11.07772 
1 1 1 -32 8  10 o 15.70526 6.798446 7.557714       19.22613 17.94216       25.63388 -5.796000      29.06857 18.69973 7.967626 15.92982 7.456994 2.769910       10.91283 
1 1 1 -32 8  11 o 14.61480 6.891973 -10.36596      25.64026 1.888000       44.56360 -16.43000      31.34898 18.91280 8.968442 15.31841 7.335290 3.594385       11.58617 
1 1 1 -32 8  12 o 34.57664 6.845100 75.15737       22.34684 62.23692       28.31677 96.49000       36.38540 28.46237 9.043506 34.17159 10.14430 -5.709211      13.59014 
1 1 1 -32 8  13 o 30.89239 7.403079 63.03418       22.09303 32.16314       27.73814 116.6000       36.53807 21.33912 8.611325 38.92509 9.640582 -17.58598      12.92655 
1 1 1 -32 8  14 o 18.06137 7.364367 18.15880       20.53040 17.51843       25.81877 19.26000       33.85719 18.48571 7.939023 19.49700 8.705410 -1.011286      11.78186 
1 1 1 -32 8  15 o 14.91191 6.683014 2.650415       20.15334 11.16696       25.10923 -12.77000      33.78701 17.28830 7.619275 15.99850 7.648581 1.289803       10.79602 
1 1 1 -32 8  16 o 26.02360 7.924685 48.16982       21.99816 24.73281       26.88288 95.67000       38.27122 19.70380 8.265140 32.61350 10.52914 -12.90970      13.38564 
1 1 1 -32 8  17 o 30.64874 7.162086 61.88262       21.09752 61.10352       28.38437 62.84439       31.53679 27.63552 9.077894 27.15170 9.557430 0.4838181      13.18153 
1 1 1 -32 8  18 o 13.92791 6.346986 -0.7367212     19.09213 -24.64807      25.42392 30.18546       28.91183 12.92918 6.290958 20.51829 8.586673 -7.589105      10.64458 
1 1 1 -32 8  19 o 12.97680 6.071272 -7.158759      19.22434 -19.76866      25.30139 10.06429       29.56948 13.27804 6.416726 17.38342 7.912814 -4.105378      10.18759 
1 1 1 -32 8  20 o 18.60092 7.485815 22.02835       20.89871 43.45309       28.68660 -2.203219      30.50788 22.97797 8.917435 16.09072 7.566198 6.887253       11.69479 
1 1 1 -32 8  21 o 21.06456 7.861699 32.43661       21.75731 33.19704       30.57874 31.65691       30.96385 20.75037 8.765788 20.48830 8.744113 0.2620716      12.38138 
1 1 1 -32 8  22 o 12.71772 6.040730 -11.43195      20.38189 -25.13487      27.75834 4.598547       30.02342 13.35018 6.513018 16.64174 7.718813 -3.291562      10.09948 
1 1 1 -32 8  23 o 17.42022 7.300715 17.08530       20.94644 16.80116       28.34808 17.42699       31.08640 18.05626 8.019803 18.37222 8.261578 -0.3159695     11.51394 
1 1 1 -32 8  24 o 18.52731 7.486510 22.15147       20.99582 36.35638       29.15128 6.840225       30.26520 21.33242 8.745762 16.94871 7.821908 4.383717       11.73331 
1 1 1 -32 8  25 o 14.67912 6.669442 2.516438       20.88557 -0.1588523     28.90966 5.437091       30.20630 15.84324 7.422944 16.65914 7.732183 -0.8159008     10.71852 
1 1 1 -32 8  26 o 32.40472 7.246751 71.32365       22.40862 68.70748       31.18616 74.11619       32.22028 27.70724 9.518779 28.62739 9.678431 -0.9201508     13.57495 
1 1 1 -32 8  27 o 18.34502 7.815453 21.45779       24.65833 14.12356       29.30796 39.23000       45.62249 17.55171 7.945133 20.90990 9.633299 -3.358187      12.48702 
1 1 1 -32 8  28 f 17.67397 7.712755 17.47069       25.16481 4.955395       30.09056 46.59000       45.89870 16.51816 7.683970 21.62793 9.850153 -5.109774      12.49275 
1 1 1 -32 8  29 o 25.77141 8.073310 50.88578       22.64140 28.21203       31.07938 76.52762       33.05105 19.58974 8.559607 28.62243 9.800339 -9.032698      13.01205 
1 1 1 -32 8  30 o 14.17396 6.654812 -4.662516      23.44559 -15.12000      35.59198 3.353778       31.16200 15.42736 7.492013 16.40703 7.693363 -0.9796619     10.73863 
1 1 1 -32 8  31 o 25.95004 9.420170 63.21539       30.88118 59.50000       39.58820 68.99000       49.35425 23.34447 9.922525 23.27466 10.44247 0.6980324E-01  14.40492 
1 1 1 -32 8  32 o 12.52422 6.061855 -18.00216      22.80101 -25.49271      31.17145 -9.382269      33.43881 13.82227 6.776708 15.43971 7.440312 -1.617444      10.06390 
1 1 1 -32 8  33 o 24.40903 8.260188 48.71297       23.46948 28.09711       31.70933 73.68858       34.90153 19.16862 8.499641 26.58895 9.950376 -7.420332      13.08640 
1 1 1 -32 8  34 f 16.47558 7.248009 14.31225       22.62669 22.65455       31.53238 5.457234       32.48692 18.25335 8.254039 16.39128 7.738242 1.862064       11.31413 
1 1 1 -32 8  35 o 15.61765 7.054551 9.676955       22.96039 5.302923       31.29614 14.77547       33.78872 16.06993 7.589124 17.23916 8.060076 -1.169237      11.07066 
1 1 1 -32 8  36 o 18.59828 7.735680 27.59392       23.25479 57.87372       31.97792 -6.392812      33.87883 23.16534 9.281537 15.15948 7.349634 8.005863       11.83909 
1 1 1 -32 8  37 o 16.90915 7.386333 19.22502       23.12948 5.815408       31.56357 34.77670       33.99121 15.84173 7.522477 19.10243 8.610167 -3.260706      11.43340 
1 1 1 -32 9  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -32 9  2  o 27.24896 7.888043 50.86264       22.23938 41.02000       35.04320 57.50000       28.77700 23.09499 9.541054 27.36715 9.145886 -4.272161      13.21662 
1 1 1 -32 9  3  o 34.79034 7.221906 77.26259       23.78746 58.76000       35.89582 91.75000       31.76310 26.25078 10.03029 35.37398 9.116341 -9.123198      13.55413 
1 1 1 -32 9  4  o 44.92673 5.576645 116.4295       23.99735 72.66900       31.74282 174.8000       36.66072 30.37092 9.565553 52.43081 7.344634 -22.05989      12.05999 
1 1 1 -32 9  5  o 23.45625 7.796078 37.68973       20.91504 -0.4084897     27.43242 90.58000       32.32211 16.24734 7.479700 34.78309 9.309872 -18.53574      11.94235 
1 1 1 -32 9  6  o 13.79953 6.328979 -3.704447      19.38801 -2.325372      26.03291 -5.422000      29.05253 15.70399 7.249943 15.97991 7.472149 -0.2759171     10.41128 
1 1 1 -32 9  7  o 31.17477 7.367319 63.29065       22.12271 24.09889       29.02748 117.6000       34.17033 20.08099 8.514407 40.80967 8.812461 -20.72868      12.25376 
1 1 1 -32 9  8  o 19.25138 7.506741 22.62392       20.40412 39.21563       27.11747 0.9720000      30.97790 23.08639 8.742317 17.04378 7.882656 6.042604       11.77134 
1 1 1 -32 9  9  o 30.11266 8.659668 66.04362       26.88591 12.98000       45.33062 94.84000       33.39352 19.93008 9.323908 35.25557 9.474693 -15.32549      13.29305 
1 1 1 -32 9  10 o 21.41179 7.661713 30.94300       20.34055 35.04092       26.10473 24.61000       32.45206 22.08711 8.524271 20.23809 8.796101 1.849026       12.24886 
1 1 1 -32 9  11 o 25.87479 7.747333 46.24406       21.15151 30.21411       26.66257 73.46000       34.74142 20.96862 8.449474 29.23179 10.04657 -8.263178      13.12734 
1 1 1 -32 9  12 o 17.77848 7.300257 17.01248       20.35232 33.73381       25.71740 -11.01000      33.29239 21.71643 8.439024 16.09461 7.666163 5.621819       11.40119 
1 1 1 -32 9  13 o 14.32433 6.516402 -0.8551689     20.01589 -17.24084      25.00982 28.34000       33.38365 13.65867 6.543530 20.72919 8.965797 -7.070516      11.09970 
1 1 1 -32 9  14 o 26.36962 7.843318 48.65573       21.73448 37.96358       27.27677 67.25000       35.97079 22.49310 8.704773 27.37664 10.12920 -4.883541      13.35566 
1 1 1 -32 9  15 o 28.51034 7.758041 56.38947       22.22277 35.04923       27.64443 95.37000       37.36216 21.70447 8.652026 32.88675 10.38039 -11.18228      13.51333 
1 1 1 -32 9  16 o 35.72873 6.897232 81.71154       23.24758 60.33989       28.97879 120.3000       38.93946 27.24172 9.178699 37.82549 10.25972 -10.58377      13.76628 
1 1 1 -32 9  17 o 20.71476 7.572173 29.77604       20.00282 25.09492       26.47292 36.00469       30.53685 19.54985 8.201306 21.53210 8.902000 -1.982252      12.10401 
1 1 1 -32 9  18 o 17.34023 7.249786 16.42987       20.58043 3.884059       27.81144 31.61562       30.59795 16.35037 7.528602 20.62457 8.743157 -4.274202      11.53788 
1 1 1 -32 9  19 o 31.90978 7.277127 68.39210       22.22406 60.53768       30.26766 77.58008       32.73647 26.51518 9.360579 29.80502 9.746668 -3.289837      13.51362 
1 1 1 -32 9  20 o 21.32920 7.811537 33.22795       21.30272 43.58456       28.88466 20.87665       31.54387 22.84524 8.924775 18.89249 8.421281 3.952747       12.27068 
1 1 1 -32 9  21 o 15.96086 6.986605 9.910276       20.78827 27.70525       28.25444 -11.09178      30.69509 19.74337 8.386929 15.14270 7.253086 4.600663       11.08818 
1 1 1 -32 9  22 o 17.26447 7.228635 16.65931       20.50550 26.27370       27.76127 5.116000       30.41891 19.50714 8.300975 16.75271 7.770007 2.754433       11.37010 
1 1 1 -32 9  23 o 11.58083 5.637384 -22.52579      20.47774 -23.59602      28.38210 -21.36374      29.57447 13.62470 6.633320 14.06735 6.831046 -0.4426517     9.521771 
1 1 1 -32 9  24 o 18.27993 7.509686 21.39807       21.54980 -8.894485      30.06608 53.40094       30.90319 15.17282 7.243228 24.34604 9.305625 -9.173220      11.79233 
1 1 1 -32 9  25 o 34.93015 6.875620 80.20418       22.67083 78.95113       31.39987 81.56867       32.76657 30.12601 9.517085 30.17337 9.742642 -0.4736519E-01 13.61962 
1 1 1 -32 9  26 o 27.10390 8.591985 58.89621       25.57245 76.25146       31.06876 22.44000       45.02921 29.49882 9.483446 19.40941 9.146964 10.08940       13.17584 
1 1 1 -32 9  27 o 25.77073 8.707294 54.89866       26.07859 32.33548       30.98557 109.7000       48.28975 20.25633 8.698282 29.47131 11.53194 -9.214987      14.44457 
1 1 1 -32 9  28 o 20.67493 7.880859 32.23916       22.12554 45.86367       30.71085 17.53570       31.90371 22.61995 9.084526 18.15436 8.246298 4.465584       12.26907 
1 1 1 -32 9  29 o 24.36348 8.459461 48.33087       24.65634 37.59000       38.42917 55.84613       32.14499 20.75254 9.269706 24.30459 9.437622 -3.552048      13.22861 
1 1 1 -32 9  30 o 28.22071 8.437000 63.26965       25.09932 68.99000       39.53518 59.40742       32.48569 24.85564 10.18701 24.71499 9.516899 0.1406441      13.94082 
1 1 1 -32 9  31 o 13.34549 6.319705 -8.068492      21.98164 -7.962128      30.17561 -8.188746      32.08570 15.02933 7.196821 15.31710 7.357333 -0.2877674     10.29197 
1 1 1 -32 9  32 o 16.84522 7.377994 14.94730       23.21241 -21.96526      30.97738 62.21424       35.05391 14.01612 6.847100 24.52048 9.753201 -10.50436      11.91670 
1 1 1 -32 9  33 o 27.54827 8.339542 61.35528       24.41092 44.04965       32.13690 84.95931       37.53215 21.46187 9.021827 27.69208 10.32751 -6.230211      13.71316 
1 1 1 -32 9  34 o 17.03455 7.381915 17.92532       22.71783 -11.22186      30.89786 52.22442       33.51750 14.59929 7.063885 22.38937 9.297640 -7.790086      11.67667 
1 1 1 -32 9  35 o 19.73624 7.919178 32.37039       23.31479 27.42663       32.13272 37.86671       33.88088 18.51877 8.357066 19.84629 8.793737 -1.327515      12.13138 
1 1 1 -32 9  36 o 16.63103 7.332663 17.36044       23.27851 -4.873054      32.05397 42.17281       33.86196 14.98709 7.237676 20.14700 8.864820 -5.159904      11.44417 
1 1 1 -32 10 1  o 19.23588 7.628229 22.29616       21.38165 39.81000       34.15579 11.01000       27.41870 22.85292 9.428144 17.79775 7.897096 5.055174       12.29854 
1 1 1 -32 10 2  o 16.91090 7.056050 13.11837       19.43693 19.32350       27.29119 6.731000       27.68907 19.11713 8.185289 17.22082 7.765762 1.896318       11.28300 
1 1 1 -32 10 3  o 29.53320 7.348190 57.02984       21.15589 38.80849       28.69783 78.72000       31.31051 22.89542 8.909723 32.02368 9.385219 -9.128258      12.94085 
1 1 1 -32 10 4  o 20.65059 7.570963 27.89847       20.01897 41.62417       27.53571 12.51000       29.15591 23.60390 8.837216 18.24815 8.117492 5.355751       11.99959 
1 1 1 -32 10 5  o 21.27524 7.670249 30.24193       20.42891 43.95980       28.13322 14.94000       29.71318 24.05424 8.947091 18.65300 8.251535 5.401243       12.17121 
1 1 1 -32 10 6  o 30.05828 7.381017 59.29672       21.55476 46.74737       28.18712 76.97000       33.45019 24.66863 8.993221 30.70134 9.837270 -6.032705      13.32854 
1 1 1 -32 10 7  o 21.20325 7.718865 30.23971       20.75424 36.43806       27.19855 21.60000       32.11127 22.36380 8.681965 19.79451 8.673532 2.569294       12.27219 
1 1 1 -32 10 8  o 26.90919 8.930690 55.49992       27.44824 25.57000       46.41101 71.60000       34.03943 21.04446 9.702812 29.07861 9.946095 -8.034151      13.89494 
1 1 1 -32 10 9  o 16.05346 6.986206 8.428496       20.52573 9.918954       25.81385 5.866000       33.84735 17.24614 7.656857 17.89162 8.262336 -0.6454868     11.26471 
1 1 1 -32 10 10 o 30.76801 7.369558 62.48298       21.90205 46.68720       27.47480 90.02000       36.27627 24.55704 8.889542 32.47724 10.22541 -7.920195      13.54928 
1 1 1 -32 10 11 o 32.96407 7.108819 70.01886       22.26208 83.87683       28.40934 47.97000       35.83475 34.28557 8.506270 23.82582 9.723916 10.45975       12.91941 
1 1 1 -32 10 12 o 52.06937 5.048488 153.2796       25.40809 112.7609       31.17122 233.5000       43.85996 40.62221 8.123462 59.44675 7.719761 -18.82454      11.20649 
1 1 1 -32 10 13 f 35.47350 6.817547 79.56195       22.81231 46.45683       28.12685 143.2000       38.99706 24.25784 8.960254 43.62987 9.408546 -19.37203      12.99257 
1 1 1 -32 10 14 o 18.67722 7.541907 21.31279       21.29142 2.084748       26.45737 56.65000       35.86701 16.07977 7.381648 25.03503 9.895075 -8.955254      12.34509 
1 1 1 -32 10 15 o 21.56925 7.877148 33.17174       21.63898 54.49517       27.36047 -2.443000      35.35981 26.14662 8.917717 16.97772 8.032487 9.168901       12.00194 
1 1 1 -32 10 16 o 13.69649 6.301738 -2.774308      19.43292 16.10146       26.04795 -26.46730      29.18309 17.92447 7.833990 13.70241 6.683367 4.222054       10.29751 
1 1 1 -32 10 17 o 16.54212 7.110075 12.46761       20.74023 12.65567       28.47689 12.25517       30.26714 17.58263 7.906809 17.73042 8.045150 -0.1477909     11.28016 
1 1 1 -32 10 18 o 12.28290 5.889978 -15.63584      20.36949 -20.36301      27.65701 -10.03181      30.11308 13.78198 6.671968 15.22977 7.264459 -1.447794      9.863443 
1 1 1 -32 10 19 o 13.22518 6.216399 -7.848664      20.55940 11.63517       28.16629 -30.06795      30.07859 17.31638 7.818461 13.53345 6.639559 3.782929       10.25729 
1 1 1 -32 10 20 o 22.99025 7.831655 39.24128       21.10094 15.62253       28.65532 67.21912       31.18774 17.85926 7.989019 27.52920 9.516463 -9.669945      12.42528 
1 1 1 -32 10 21 o 16.96188 7.221044 14.98902       21.02389 39.88223       29.06273 -12.33796      30.45031 21.96875 8.832400 14.98480 7.189779 6.983952       11.38878 
1 1 1 -32 10 22 f 19.36615 7.564218 25.71075       20.74601 14.16431       28.40822 38.90554       30.36835 17.65878 7.922699 21.70998 8.916359 -4.051205      11.92772 
1 1 1 -32 10 23 o 14.99539 6.737276 4.722060       20.62364 3.384294       28.32780 6.230820       30.08382 16.18388 7.503412 16.76702 7.759364 -0.5831394     10.79393 
1 1 1 -32 10 24 o 16.43512 7.099381 12.91168       20.87795 -6.332839      28.77155 34.31561       30.34284 15.13995 7.187163 20.66850 8.731593 -5.528548      11.30911 
1 1 1 -32 10 25 o 17.44996 7.621299 16.23188       24.61549 12.23518       28.92785 26.72000       46.86131 17.29476 7.854443 19.84846 9.346873 -2.553696      12.20886 
1 1 1 -32 10 26 o 23.35010 8.664671 45.74951       26.35593 49.32852       31.74534 37.81000       47.28193 23.15648 9.257967 20.70151 9.630684 2.454967       13.35889 
1 1 1 -32 10 27 o 17.98895 7.485411 20.53529       21.78769 5.719241       30.01388 37.04018       31.67834 16.56223 7.694157 20.96492 8.892178 -4.402695      11.75886 
1 1 1 -32 10 28 o 12.48605 6.010126 -15.91959      21.67314 -27.74355      30.74986 -4.247317      30.55199 13.67043 6.708081 15.57137 7.396071 -1.900939      9.985000 
1 1 1 -32 10 29 o 37.57528 7.337053 96.89376       26.01690 63.83000       40.54506 120.0372       33.92152 23.97923 10.10983 38.85196 9.083324 -14.87273      13.59101 
1 1 1 -32 10 30 o 10.95808 5.418495 -31.51788      21.39318 -40.58272      29.51956 -21.49048      31.04729 12.47732 6.203351 14.07477 6.871215 -1.597449      9.257168 
1 1 1 -32 10 31 f 28.79127 7.983755 62.64841       23.28337 57.79449       31.74217 68.30184       34.25673 24.44608 9.408920 25.92134 9.823647 -1.475252      13.60264 
1 1 1 -32 10 32 o 22.44531 8.133267 41.21819       23.00633 39.14135       31.19846 43.69370       34.06145 20.83307 8.829911 21.31263 9.135248 -0.4795609     12.70512 
1 1 1 -32 10 33 o 18.75486 7.787818 26.44794       23.51348 23.89831       32.59341 29.21496       33.95451 18.40778 8.350954 19.08757 8.604309 -0.6797905     11.99052 
1 1 1 -32 10 34 o 14.90536 6.999485 1.018565       25.95751 26.73162       31.15882 -57.30000      46.92535 18.53228 8.307332 14.30797 7.212385 4.224310       11.00138 
1 1 1 -32 10 35 f 12.58238 6.075516 -13.41162      22.56707 -44.70070      31.01397 21.79583       32.89867 12.23687 6.126003 17.69479 8.162252 -5.457916      10.20540 
1 1 1 -32 10 36 o 11.18021 5.531779 -29.09367      22.42277 -51.90485      30.75592 -3.212794      32.76003 11.78673 5.928138 15.20058 7.334884 -3.413855      9.430978 
1 1 1 -32 11 1  f 37.72815 5.437097 82.16614       19.50000 56.73690       28.65702 104.0936       26.61085 26.94935 9.127490 40.73724 6.920975 -13.78789      11.45474 
1 1 1 -32 11 2  f 23.92691 7.293229 38.16605       18.62614 -6.596344      26.88532 79.48042       25.82909 15.30001 7.165180 34.34663 7.854079 -19.04662      10.63139 
1 1 1 -32 11 3  o 27.19123 7.084907 48.10571       19.04359 30.03350       28.09238 63.47190       25.90395 20.98236 8.591939 29.61976 8.494467 -8.637407      12.08211 
1 1 1 -32 11 4  o 42.75104 5.737807 107.1004       23.40468 95.01385       31.22394 122.6000       35.35880 36.13440 8.889911 41.11229 9.033729 -4.977890      12.67433 
1 1 1 -32 11 5  o 35.75813 6.593008 79.12185       22.22623 66.36621       29.25718 96.53000       34.17887 29.20723 9.181266 35.09525 9.650345 -5.888025      13.32009 
1 1 1 -32 11 6  o 33.62651 8.347232 79.68553       27.34616 92.95000       47.19206 72.98000       33.55370 29.60239 11.45144 29.44083 9.876381 0.1615601      15.12212 
1 1 1 -32 11 7  o 18.44967 7.451081 19.83737       20.78496 -1.545007      27.06280 50.59000       32.45532 15.87083 7.349815 24.67143 9.509215 -8.800597      12.01853 
1 1 1 -32 11 8  o 18.29684 7.487649 18.97804       21.31879 8.634397       27.16611 35.56000       34.39605 17.23110 7.737847 21.83046 9.262796 -4.599361      12.06954 
1 1 1 -32 11 9  o 24.04690 8.014140 41.23872       22.09828 24.69806       28.13201 67.89000       35.70946 19.89089 8.405500 27.62959 10.11456 -7.738691      13.15130 
1 1 1 -32 11 10 o 31.52014 7.398594 65.70123       22.43282 55.29802       28.47536 82.72000       36.42080 26.43747 9.095192 30.64346 10.28979 -4.205996      13.73326 
1 1 1 -32 11 11 o 32.89861 7.285776 70.93533       22.84250 81.26358       29.24651 54.78000       36.57788 33.03909 8.861544 24.80303 9.930430 8.236067       13.30941 
1 1 1 -32 11 12 o 33.19835 7.194140 72.10140       22.70128 33.38877       28.10295 144.8000       38.51133 21.33026 8.646106 44.05621 9.226647 -22.72595      12.64461 
1 1 1 -32 11 13 o 23.49022 7.903461 39.76050       21.48610 29.30453       27.05701 57.61000       35.35173 20.47098 8.412796 25.20566 9.865692 -4.734682      12.96561 
1 1 1 -32 11 14 o 42.69880 5.991606 110.1166       24.35367 80.93510       30.37884 162.6000       40.74067 31.98964 9.206741 46.37609 9.298834 -14.38646      13.08558 
1 1 1 -32 11 15 o 34.99005 6.624188 77.70231       21.85680 62.50296       29.31869 96.71693       32.79260 27.38172 9.232386 34.78078 9.407261 -7.399069      13.18080 
1 1 1 -32 11 16 o 24.51646 7.876680 44.07448       21.43513 3.714391       29.56740 88.78409       31.11984 16.56658 7.675630 33.37241 9.220821 -16.80583      11.99745 
1 1 1 -32 11 17 o 26.33930 7.956166 50.84962       22.23524 51.06252       30.81835 50.61847       32.11229 24.20282 9.282344 23.89898 9.388335 0.3038425      13.20238 
1 1 1 -32 11 18 o 14.96843 6.741723 3.969784       20.79445 16.37008       28.59743 -9.942900      30.29120 18.00790 8.023207 15.20193 7.260743 2.805965       10.82082 
1 1 1 -32 11 19 f 16.95616 7.228086 14.99226       21.11344 19.64165       29.39105 10.03458       30.34986 18.47907 8.189028 17.28624 7.924555 1.192833       11.39556 
1 1 1 -32 11 20 o 13.14348 6.183585 -7.912969      20.42404 16.87102       27.80089 -36.97406      30.10433 17.95319 7.959759 13.02887 6.439751 4.924317       10.23856 
1 1 1 -32 11 21 o 15.47346 6.861995 7.258213       20.67370 18.53149       28.47118 -5.315229      30.06820 18.28114 8.082602 15.58069 7.382040 2.700452       10.94637 
1 1 1 -32 11 22 o 15.58440 6.909630 7.822297       20.95001 17.69050       28.99062 -2.963774      30.30890 18.13735 8.079700 15.81069 7.467232 2.326652       11.00187 
1 1 1 -32 11 23 o 18.03590 7.423911 20.65787       21.11385 23.46172       29.73651 17.80715       29.98401 18.91912 8.316517 18.12451 8.134938 0.7946186      11.63364 
1 1 1 -32 11 24 o 12.76262 6.192771 -20.60926      24.18455 -27.05810      28.61957 -4.503000      45.22926 13.31542 6.520978 17.43686 8.462715 -4.121440      10.68367 
1 1 1 -32 11 25 o 33.86071 8.180174 84.73523       26.80593 88.30533       31.85287 76.07000       49.62482 32.08985 9.482620 24.42173 10.73915 7.668123       14.32653 
1 1 1 -32 11 26 o 22.58406 7.981561 39.38971       22.01119 29.32254       29.76330 51.54203       32.70069 19.74388 8.502191 23.38975 9.380918 -3.645863      12.66052 
1 1 1 -32 11 27 o 13.08903 6.201161 -9.216885      21.21220 -19.41632      29.72145 1.372030       30.28361 14.07524 6.837904 16.08318 7.555013 -2.007937      10.18995 
1 1 1 -32 11 28 o 21.84222 8.282513 38.48581       24.35982 18.54000       37.36005 53.23687       32.12872 18.52000 8.597018 23.69808 9.365671 -5.178083      12.71316 
1 1 1 -32 11 29 o 16.67038 7.269717 14.40035       22.32330 -10.65052      31.40249 39.99268       31.74004 14.99605 7.222395 21.14458 8.931422 -6.148539      11.48622 
1 1 1 -32 11 30 o 14.44263 6.653144 1.112733       21.75367 -55.04118      30.37065 60.27573       31.17375 11.85757 5.953864 25.05933 9.398598 -13.20176      11.12574 
1 1 1 -32 11 31 o 12.59653 6.031463 -12.62143      21.18651 -21.80631      29.07362 -2.220993      30.93770 13.62313 6.650400 15.63273 7.430209 -2.009600      9.971751 
1 1 1 -32 11 32 o 18.66797 7.685193 25.76497       22.63047 36.49842       31.00982 13.53500       33.10107 20.25215 8.699168 17.27695 8.044442 2.975206       11.84857 
1 1 1 -32 11 33 o 12.43554 6.008784 -15.18948      22.16844 -31.28169      30.37413 3.153054       32.42841 13.02389 6.442972 16.02394 7.613558 -3.000055      9.973873 
1 1 1 -32 11 34 o 14.19288 6.748127 -4.086142      25.56134 -17.36000      40.43990 4.745701       32.98656 15.26354 7.529220 16.05331 7.642087 -0.7897701     10.72803 
1 1 1 -32 11 35 o 15.61443 7.244591 8.542346       26.47912 25.73296       32.33411 -26.46000      46.13853 18.01869 8.229793 15.21632 7.595410 2.802363       11.19910 
1 1 1 -32 12 1  f 34.92584 6.025654 73.19518       19.85546 33.01889       28.57272 110.7143       27.61167 21.44786 8.709162 41.82146 6.991709 -20.37360      11.16842 
1 1 1 -32 12 2  o 30.07560 6.797935 57.46210       19.54016 43.86003       28.35235 69.76790       26.96755 23.74208 8.950626 30.88457 8.602747 -7.142492      12.41455 
1 1 1 -32 12 3  o 36.89135 5.902009 80.97437       20.59424 58.14054       29.42450 102.9006       28.83378 26.93438 9.246270 39.23692 7.782490 -12.30254      12.08556 
1 1 1 -32 12 4  o 23.80903 7.928720 40.14579       21.63053 23.33768       28.04870 64.81000       33.97713 19.64167 8.350508 27.36807 9.888586 -7.726398      12.94276 
1 1 1 -32 12 5  o 19.36910 7.788525 23.45926       22.60303 -22.53000      44.45665 39.49189       26.24889 16.96810 8.270180 22.95764 8.621371 -5.989540      11.94671 
1 1 1 -32 12 6  o 23.59620 7.507128 38.08632       19.50742 35.42139       28.18769 40.53582       27.02437 21.91870 8.736890 23.11579 8.733190 -1.197092      12.35321 
1 1 1 -32 12 7  o 22.20426 7.975803 34.81651       22.06537 25.16775       28.23658 49.95000       35.36274 19.95607 8.426472 24.15679 9.732034 -4.200720      12.87315 
1 1 1 -32 12 8  o 40.98166 6.139698 101.3091       23.87144 91.26631       30.31491 117.7000       38.72844 35.29799 8.804003 37.78901 10.22429 -2.491013      13.49247 
1 1 1 -32 12 9  o 37.87160 6.661939 89.67401       23.79440 40.99035       29.50684 180.2000       40.23627 22.85560 8.993064 50.96212 8.355406 -28.10653      12.27550 
1 1 1 -32 12 10 o 14.07648 6.499602 -3.529609      20.93505 -17.69372      26.75883 18.82000       33.61301 13.96013 6.708996 19.17010 8.607988 -5.209972      10.91367 
1 1 1 -32 12 11 o 10.79660 5.316888 -30.25146      19.88411 -19.90467      25.33454 -46.85000      32.08819 13.36859 6.450724 13.06728 6.491773 0.3013172      9.151773 
1 1 1 -32 12 12 o 23.11107 8.019296 39.16012       22.15552 21.38651       28.19133 67.87000       35.82972 19.02330 8.233531 26.98874 10.08550 -7.965433      13.01954 
1 1 1 -32 12 13 o 16.20350 7.103894 9.657198       21.56687 -2.098212      27.48569 28.49000       34.78927 15.62402 7.293287 20.27712 8.951158 -4.653100      11.54622 
1 1 1 -32 12 14 o 15.14410 6.766496 5.055562       20.49220 -2.209205      28.78811 12.51767       29.17649 15.78371 7.398987 17.63064 7.959162 -1.846925      10.86707 
1 1 1 -32 12 15 o 30.99389 7.475832 65.92192       22.41574 41.03640       30.99648 93.20460       32.45507 22.18307 9.047377 33.81807 9.444037 -11.63501      13.07841 
1 1 1 -32 12 16 o 15.02748 6.783433 3.610069       21.18812 -3.243204      29.38713 11.02973       30.57736 15.74091 7.409242 17.54889 8.010595 -1.807986      10.91176 
1 1 1 -32 12 17 o 17.22463 7.306751 16.06476       21.39417 12.18858       29.36123 20.45224       31.23774 17.47775 7.927860 18.74727 8.366858 -1.269524      11.52629 
1 1 1 -32 12 18 o 11.48357 5.599113 -23.10416      20.43038 -32.91113      27.90463 -11.77343      29.99426 12.77048 6.290805 14.91538 7.151000 -2.144902      9.524234 
1 1 1 -32 12 19 o 18.84525 7.563845 23.77578       21.27590 37.50056       29.64650 9.200527       30.55124 21.41613 8.804224 17.19667 7.908252 4.219454       11.83448 
1 1 1 -32 12 20 o 14.57699 6.631417 1.764472       20.72943 6.481654       28.61537 -3.444617      30.07039 16.64045 7.652877 15.75452 7.439823 0.8859320      10.67321 
1 1 1 -32 12 21 o 17.10046 7.248669 15.92744       21.02891 8.615036       29.05262 23.97456       30.47724 16.91365 7.753598 19.12196 8.412086 -2.208311      11.44034 
1 1 1 -32 12 22 o 15.69744 6.950533 8.737448       21.12984 19.48808       29.24913 -2.996918      30.55806 18.29273 8.134300 15.75499 7.457914 2.537744       11.03573 
1 1 1 -32 12 23 o 18.54552 7.850854 22.50374       24.61368 15.95044       29.55393 37.34000       44.46799 17.82640 8.032343 20.75264 9.542577 -2.926245      12.47314 
1 1 1 -32 12 24 o 17.05831 7.530898 14.32568       24.63034 14.61099       29.12912 13.61000       46.13420 17.54228 7.932806 18.65803 8.924788 -1.115751      11.94074 
1 1 1 -32 12 25 o 23.65514 8.073915 43.61627       22.42843 58.54721       30.91074 27.01563       32.59329 25.15779 9.374321 19.39724 8.608274 5.760551       12.72715 
1 1 1 -32 12 26 o 14.88342 6.884317 0.7170255      23.63843 -23.90000      36.17116 19.06787       31.23005 14.90136 7.304566 18.24299 8.235153 -3.341633      11.00793 
1 1 1 -32 12 27 o 22.47182 8.332704 41.07262       24.36694 12.38000       37.64867 61.75574       31.96486 17.92956 8.422792 25.47905 9.525089 -7.549492      12.71498 
1 1 1 -32 12 28 o 19.88421 7.793537 29.85029       22.08640 22.47948       30.83400 37.61729       31.65182 18.51807 8.285194 20.76818 8.851439 -2.250105      12.12404 
1 1 1 -32 12 29 o 19.46424 7.741237 28.29877       22.08101 19.77944       30.52440 37.65059       31.98101 18.08101 8.153673 20.67666 8.857037 -2.595648      12.03867 
1 1 1 -32 12 30 o 11.09597 5.468985 -28.73971      21.18925 -42.73047      28.54945 -11.58086      31.61704 12.10155 6.030190 14.91481 7.199165 -2.813260      9.391015 
1 1 1 -32 12 31 o 21.89966 8.024864 39.15331       22.48690 4.470341       30.88990 78.25439       32.79841 16.13921 7.596600 28.12675 9.757260 -11.98754      12.36578 
1 1 1 -32 12 32 o 13.76546 6.458147 -3.025990      22.00875 20.78452       30.31246 -29.57262      32.00675 17.85503 8.081516 13.47477 6.656447 4.380266       10.46992 
1 1 1 -32 12 33 o 12.92942 6.222945 -12.09113      23.22223 0.7507756      32.90689 -24.83098      32.77588 15.73270 7.528749 13.79179 6.798489 1.940917       10.14404 
1 1 1 -32 12 34 o 18.17047 7.715144 26.00683       23.89025 44.59565       33.55470 6.896686       34.02197 20.51204 8.929382 16.18829 7.721636 4.323746       11.80498 
1 1 1 -32 12 35 o 15.12207 7.108793 4.329957       26.89870 3.618000       43.75727 4.762418       34.10332 16.53646 8.091001 15.91784 7.629891 0.6186228      11.12113 
1 1 1 -32 13 1  o 49.10882 7.242218 155.2530       33.76900 155.2530       33.76900 0.000000       0.000000 49.10882 7.242218 ?        ?        ?              ?        
1 1 1 -32 13 2  o 32.48708 7.404135 69.84878       23.01872 56.56296       29.34218 91.11000       37.11866 26.46047 9.225892 32.18964 10.36735 -5.729177      13.87800 
1 1 1 -32 13 3  o 45.90369 5.935899 125.5273       26.04724 54.38000       47.82816 155.5262       31.05684 23.78944 10.49878 50.35469 6.448858 -26.56526      12.32121 
1 1 1 -32 13 4  o 29.82084 7.034293 57.75566       20.19785 35.75060       29.12906 78.13259       28.03074 21.85558 8.822865 32.67235 8.635705 -10.81677      12.34578 
1 1 1 -32 13 5  o 25.83221 7.431160 45.43220       19.79556 19.23460       28.49516 69.86845       27.52058 18.88195 8.224102 30.50282 8.757977 -11.62087      12.01408 
1 1 1 -32 13 6  o 16.39769 6.941505 11.97611       19.24147 16.27933       27.28637 7.719774       27.13734 18.25875 7.998136 16.96733 7.666327 1.291426       11.07893 
1 1 1 -32 13 7  o 25.67302 7.595636 45.81348       20.42700 46.09933       29.39471 45.54653       28.40689 23.81564 9.082307 23.83331 8.964815 -0.1766586E-01 12.76151 
1 1 1 -32 13 8  o 15.55482 6.798566 7.642125       19.61897 -34.14468      27.78859 49.17024       27.70244 12.84590 6.318128 24.75565 8.931034 -11.90975      10.93993 
1 1 1 -32 13 9  o 26.96988 7.417447 49.75978       20.18994 72.47937       28.47258 26.78206       28.63387 30.56701 8.947440 19.97281 8.461987 10.59420       12.31511 
1 1 1 -32 13 10 o 42.25471 5.429016 104.4577       21.93622 81.55054       30.73916 128.2294       31.31384 31.93595 9.282234 43.74651 7.587794 -11.81056      11.98893 
1 1 1 -32 13 11 o 17.77524 7.249252 18.53719       19.89873 20.56862       28.22288 16.52915       28.05993 18.79173 8.184762 18.15241 8.024926 0.6393242      11.46254 
1 1 1 -32 13 12 o 44.45127 5.302833 115.3040       22.61821 84.73936       31.32252 148.6072       32.69561 32.20906 9.372294 47.42138 7.275760 -15.21231      11.86493 
1 1 1 -32 13 13 o 12.54119 5.977236 -12.99293      20.30238 38.91862       27.98702 -70.65399      29.49619 22.00412 8.726908 11.11401 5.616359 10.89011       10.37798 
1 1 1 -32 13 14 o 19.96856 7.748786 28.02564       21.65882 15.51801       29.88301 41.86740       31.43638 18.04988 8.109728 22.25877 9.098776 -4.208893      12.18833 
1 1 1 -32 13 15 o 23.53025 8.070661 41.98924       22.41653 1.829038       31.40550 83.70135       32.00655 16.53952 7.745164 31.38342 9.559319 -14.84390      12.30318 
1 1 1 -32 13 16 o 31.79290 7.477846 69.82946       22.87835 77.17908       32.18930 62.32664       32.52303 29.52427 9.665476 25.96192 9.626791 3.562353       13.64172 
1 1 1 -32 13 17 o 25.20978 7.987728 47.78036       22.10432 55.19996       30.86988 39.97325       31.66577 24.76346 9.338709 21.68028 9.022991 3.083183       12.98560 
1 1 1 -32 13 18 o 18.19751 7.493290 20.91131       21.52110 -7.388963      29.90438 51.31506       30.99581 15.30733 7.283948 23.94122 9.275414 -8.633888      11.79361 
1 1 1 -32 13 19 o 20.85758 7.804389 31.92629       21.46896 33.25293       30.03028 30.53943       30.70434 20.64244 8.701738 20.18018 8.662038 0.4622612      12.27808 
1 1 1 -32 13 20 o 15.16634 6.808542 5.459914       21.01478 8.852203       29.60760 2.015907       29.83244 16.97621 7.798906 16.21606 7.579045 0.7601452      10.87497 
1 1 1 -32 13 21 o 16.20327 7.100770 11.36341       21.52741 11.25092       30.12446 11.48081       30.77467 17.24814 7.902602 17.34362 7.961588 -0.9548187E-01 11.21775 
1 1 1 -32 13 22 o 20.95745 8.335369 34.66737       25.60124 38.96244       30.75739 24.98000       46.19205 21.39165 8.896908 19.61836 9.251217 1.773285       12.83511 
1 1 1 -32 13 23 o 15.10291 7.020209 0.2076240      25.04123 2.187176       29.97743 -4.363000      45.55109 16.13542 7.559501 17.35344 8.438432 -1.218012      11.32931 
1 1 1 -32 13 24 o 18.64746 7.617200 23.79949       22.01305 24.97363       30.93480 22.59506       31.33131 19.04706 8.422957 18.72846 8.367485 0.3185978      11.87270 
1 1 1 -32 13 25 o 38.38638 7.249187 100.2053       26.23976 74.77000       41.56021 117.0652       33.83662 25.50855 10.44849 38.20568 9.165665 -12.69713      13.89893 
1 1 1 -32 13 26 o 14.12286 6.643409 -5.080801      23.55969 -5.786000      36.77622 -4.589942      30.68246 16.25960 7.827145 15.50619 7.378441 0.7534018      10.75665 
1 1 1 -32 13 27 o 15.45734 6.927389 7.776772       21.65358 1.368412       29.96338 14.78202       31.32773 15.90675 7.485511 17.56162 8.050949 -1.654871      10.99321 
1 1 1 -32 13 28 o 20.45970 7.814472 32.36236       21.78236 36.67515       30.71767 28.00023       30.89289 20.57448 8.742619 19.21720 8.461057 1.357285       12.16646 
1 1 1 -32 13 29 o 15.16995 6.862907 6.088008       21.82893 35.86525       30.04271 -27.21448      31.77131 20.46919 8.669768 13.76154 6.765955 6.707653       10.99741 
1 1 1 -32 13 30 o 15.46408 6.962254 8.230910       22.15258 18.22282       30.52678 -2.884204      32.19687 17.70798 8.052488 15.62834 7.470202 2.079641       10.98392 
1 1 1 -32 13 31 o 9.693549 4.882737 -48.87346      21.28953 -35.28337      29.28865 -64.09815      31.00007 12.58392 6.243153 11.45018 5.782844 1.133744       8.509891 
1 1 1 -32 13 32 o 29.72934 7.940345 68.63842       23.54296 50.24013       32.32175 89.43190       34.36132 22.00521 9.133522 29.31941 9.993838 -7.314196      13.53876 
1 1 1 -32 13 33 o 14.51512 6.748791 2.842770       23.16637 15.64961       31.78059 -11.67828      33.84076 16.93764 7.885075 14.73392 7.188785 2.203719       10.67019 
1 1 1 -32 13 34 f 22.39148 8.927784 52.02566       29.44087 37.00000       52.24356 59.01778       35.63861 18.82675 9.127412 22.25177 9.434546 -3.425018      13.12708 
1 1 1 -32 14 1  o 21.36740 8.342627 33.51579       25.22750 -6.001000      36.33874 70.28000       35.05029 16.79721 8.003181 27.77832 10.04263 -10.98111      12.84154 
1 1 1 -32 14 2  o 27.02904 9.461987 61.91182       30.88134 43.46000       44.83299 78.57000       42.59826 22.29723 9.982195 27.47989 10.80761 -5.182659      14.71220 
1 1 1 -32 14 3  o 30.95844 7.063725 62.80074       20.93089 57.78519       29.19969 68.10163       30.01879 26.46994 9.205054 28.82008 9.326836 -2.350142      13.10431 
1 1 1 -32 14 4  o 18.85662 7.273530 22.72409       18.99871 21.99091       27.69951 23.37541       26.10758 19.10864 8.215059 19.26464 8.116819 -0.1560078     11.54859 
1 1 1 -32 14 5  o 21.80148 7.615102 33.44283       19.99575 41.79873       28.75705 25.62113       27.82261 22.83014 8.909035 19.72041 8.347525 3.109726       12.20869 
1 1 1 -32 14 6  o 16.74723 7.039375 13.88140       19.56264 6.680258       28.14159 20.61527       27.21325 16.84509 7.687641 18.79858 8.112715 -1.953489      11.17658 
1 1 1 -32 14 7  o 26.95699 7.454545 50.15791       20.32993 23.61570       29.02411 75.72358       28.48518 19.36182 8.367119 31.30664 8.884750 -11.94482      12.20440 
1 1 1 -32 14 8  f 23.23365 7.640408 38.56203       20.10457 40.35833       28.96732 36.89261       27.92561 22.36202 8.875353 21.73951 8.685939 0.6225071      12.41843 
1 1 1 -32 14 9  o 20.03873 7.476198 27.70463       19.67243 56.60091       28.69698 2.085672       27.02066 25.98061 9.119238 15.97211 7.378155 10.00851       11.73020 
1 1 1 -32 14 10 o 21.20427 7.648848 32.24845       20.31843 2.271548       29.29321 60.04300       28.20677 16.32950 7.591209 26.90960 9.055566 -10.58010      11.81650 
1 1 1 -32 14 11 o 18.71899 7.498055 22.85307       20.86357 9.244026       30.65255 34.60000       28.47836 17.31813 7.948368 21.08442 8.644176 -3.766294      11.74301 
1 1 1 -32 14 12 o 16.56951 7.164658 12.53002       21.30622 -27.77804      30.09710 53.02313       30.16610 13.70504 6.706614 24.66041 9.246186 -10.95537      11.42237 
1 1 1 -32 14 13 o 18.51968 7.563869 22.06793       21.70189 -42.86177      30.01280 93.21815       31.41760 12.65773 6.286620 34.16478 9.193850 -21.50705      11.13770 
1 1 1 -32 14 14 o 29.56822 7.727381 62.31964       22.60924 82.43517       31.70249 41.49917       32.25322 31.05005 9.524659 21.93703 9.116117 9.113018       13.18418 
1 1 1 -32 14 15 o 21.14912 7.889453 33.45715       21.90597 43.20272       30.70302 23.35217       31.26405 22.31196 9.039704 19.03685 8.440558 3.275108       12.36767 
1 1 1 -32 14 16 o 16.78682 7.189779 14.36304       21.06856 10.75284       29.26830 18.24558       30.35213 17.20074 7.846143 18.29157 8.199288 -1.090832      11.34858 
1 1 1 -32 14 17 o 25.96854 8.073707 50.88534       22.68909 32.10713       32.30669 69.16181       31.87217 20.38762 8.819029 27.66555 9.617297 -7.277929      13.04867 
1 1 1 -32 14 18 o 23.98757 8.093693 44.07653       22.53251 51.36576       32.15129 37.04058       31.58775 23.72710 9.371516 21.18365 8.926915 2.543442       12.94276 
1 1 1 -32 14 19 o 34.51860 8.461092 89.76653       28.36280 88.53197       33.94847 92.62000       51.61173 31.23026 9.899540 26.21988 11.24199 5.010389       14.97943 
1 1 1 -32 14 20 o 20.41866 7.872794 31.26608       22.25165 -2.066482      30.89929 67.17358       32.07056 15.85658 7.504054 26.79541 9.616659 -10.93883      12.19799 
1 1 1 -32 14 21 o 17.75004 7.750946 17.95512       25.45001 14.10170       30.47838 26.83000       46.25409 17.62302 8.026388 19.74056 9.292985 -2.117540      12.27935 
1 1 1 -32 14 22 o 16.76675 7.514179 12.10310       25.47696 9.865890       30.64473 17.11000       45.84444 17.05392 7.870583 18.84027 8.980134 -1.786354      11.94106 
1 1 1 -32 14 23 o 26.31099 8.055246 53.06440       22.68924 54.22512       31.77192 51.85641       32.41253 23.96881 9.361221 23.38645 9.353118 0.5823536      13.23304 
1 1 1 -32 14 24 f 16.85262 7.419477 14.08715       23.75140 13.41000       37.77333 14.52994       30.54540 18.01040 8.453162 17.56928 8.014731 0.4411201      11.64869 
1 1 1 -32 14 25 o 15.51395 7.073244 5.475463       23.74873 -5.224000      36.87254 13.06050       31.04566 16.29533 7.842574 17.41704 7.995761 -1.121704      11.19992 
1 1 1 -32 14 26 o 27.77386 7.978401 58.65097       22.83382 30.45184       31.61628 89.39621       33.01276 19.64798 8.607950 31.27342 9.741298 -11.62544      12.99960 
1 1 1 -32 14 27 o 29.72880 7.857839 65.91428       23.20811 24.16155       32.37590 110.0459       33.28545 18.68797 8.415003 36.21460 9.331873 -17.52662      12.56567 
1 1 1 -32 14 28 o 14.42275 6.646877 1.205731       21.74623 1.270313       30.81526 1.141661       30.69275 15.92953 7.525164 15.90026 7.510991 0.2927113E-01  10.63217 
1 1 1 -32 14 29 o 21.97708 8.041549 39.28003       22.56791 16.62995       31.30416 63.79118       32.56485 17.57970 8.055014 25.12608 9.564927 -7.546385      12.50484 
1 1 1 -32 14 30 o 14.54273 6.704837 2.602495       22.15845 21.59712       31.11856 -16.93447      31.55968 18.00769 8.165627 14.27450 6.959709 3.733184       10.72917 
1 1 1 -32 14 31 o 17.20004 7.401046 19.52167       22.51981 0.1156969      31.03890 41.09126       32.72348 15.50381 7.389628 20.48328 8.868060 -4.979471      11.54336 
1 1 1 -32 14 32 o 18.56837 8.050042 28.30693       27.03978 6.712763       32.24037 79.52000       49.65033 16.09160 7.629943 22.64635 10.28692 -6.554754      12.80768 
1 1 1 -32 14 33 o 23.77291 9.023417 58.23807       28.92990 99.39000       53.10582 40.87214       34.49817 23.52407 10.66711 19.74013 8.802462 3.783941       13.83006 
1 1 1 -32 14 34 o 14.89856 7.178141 -1.747946      31.08796 34.14000       40.99978 -50.29000      47.68330 18.46617 8.710299 14.20637 7.174507 4.259801       11.28463 
1 1 1 -32 15 1  o 22.89040 7.559984 37.30218       19.67607 22.46105       28.45880 50.89327       27.23393 19.05147 8.259032 24.96103 8.872636 -5.909563      12.12169 
1 1 1 -32 15 2  f 27.01483 7.387886 50.35980       20.09427 -10.55185      28.46415 110.8745       28.37125 14.86908 7.084127 40.78519 7.378263 -25.91611      10.22857 
1 1 1 -32 15 3  o 20.94785 7.860552 31.68500       21.81149 -22.48000      36.15482 62.67801       27.34883 15.31552 7.463255 27.99380 8.886762 -12.67828      11.60494 
1 1 1 -32 15 4  o 26.50492 8.338124 53.50259       24.12594 49.65519       28.84076 62.47000       44.03082 24.27555 9.053147 24.26548 10.39339 0.1006699E-01  13.78340 
1 1 1 -32 15 5  o 29.02262 7.160444 56.72647       20.21425 35.35425       28.60632 78.04183       28.56825 21.26213 8.684060 31.64777 8.868703 -10.38564      12.41236 
1 1 1 -32 15 6  o 22.95543 7.639070 38.05001       20.07972 37.97018       29.09547 38.12261       27.74657 21.70863 8.798195 21.84751 8.681418 -0.1388855     12.36023 
1 1 1 -32 15 7  o 21.59546 7.655801 33.70459       20.26415 -1.212626      29.11082 66.52998       28.22536 15.88362 7.444065 28.55445 9.023515 -12.67083      11.69777 
1 1 1 -32 15 8  o 23.57267 7.681508 40.33856       20.34224 58.39567       30.04660 25.05783       27.64034 25.89677 9.306527 19.33634 8.257250 6.560434       12.44161 
1 1 1 -32 15 9  o 24.98137 7.666239 44.99773       20.53540 33.80106       30.16718 54.66622       28.03299 20.84181 8.749818 25.52317 9.008581 -4.681355      12.55842 
1 1 1 -32 15 10 o 42.31870 5.619982 106.9661       22.70455 49.32809       32.71473 160.5249       31.53586 23.42327 9.386842 50.36226 6.552460 -26.93899      11.44760 
1 1 1 -32 15 11 o 23.05775 8.019879 40.35374       22.16517 37.47254       32.80239 42.77465       30.06832 21.25310 9.032828 22.39792 8.991189 -1.144825      12.74494 
1 1 1 -32 15 12 o 33.49673 7.237537 75.81647       23.03612 47.33846       32.80872 103.5072       32.35207 22.86923 9.315289 36.15997 9.137999 -13.29074      13.04905 
1 1 1 -32 15 13 o 14.53209 6.661591 0.7710273      21.44278 13.06219       30.18566 -11.74917      30.46561 17.55880 7.993496 14.96192 7.182149 2.596886       10.74613 
1 1 1 -32 15 14 o 18.39953 7.509600 22.05267       21.37352 17.63037       29.44458 26.97817       31.07469 18.11510 8.101252 19.54720 8.549590 -1.432102      11.77819 
1 1 1 -32 15 15 o 18.13375 7.505494 20.71150       21.74095 22.30505       30.41154 19.04579       31.09245 18.85447 8.343948 18.44129 8.279984 0.4131775      11.75498 
1 1 1 -32 15 16 o 21.42083 7.929431 34.50316       22.04843 44.89672       31.47389 24.48744       30.89650 22.56525 9.148782 19.20202 8.457687 3.363235       12.45924 
1 1 1 -32 15 17 o 17.54438 7.380851 18.10959       21.53601 2.790674       30.28898 33.77217       30.62685 16.35064 7.640264 20.58925 8.738528 -4.238613      11.60756 
1 1 1 -32 15 18 o 24.40706 8.027718 45.87464       22.19415 35.29408       31.36385 56.48687       31.41075 20.67890 8.812161 24.63038 9.389665 -3.951479      12.87711 
1 1 1 -32 15 19 o 15.45236 6.955828 6.509073       22.10138 -0.2239839     30.48136 13.97295       32.09301 15.96635 7.524780 17.71778 8.132234 -1.751431      11.07951 
1 1 1 -32 15 20 o 16.71031 7.551162 10.84971       26.33800 2.388913       32.19487 27.97000       45.79697 16.45413 7.748101 19.75525 9.283343 -3.301125      12.09188 
1 1 1 -32 15 21 o 18.83168 8.030786 24.66216       26.08161 45.24916       31.53929 -19.87000      46.38656 22.25229 9.106940 16.45422 8.106471 5.798073       12.19226 
1 1 1 -32 15 22 o 18.25846 7.576315 22.16956       22.23144 25.80531       31.40695 18.51846       31.47317 19.11910 8.469313 18.14440 8.221407 0.9746952      11.80342 
1 1 1 -32 15 23 o 14.77024 6.857324 -0.3109916E-01 23.78219 -36.56000      37.56719 24.39891       30.72219 14.31541 7.096683 18.86566 8.365746 -4.550249      10.97035 
1 1 1 -32 15 24 o 19.88036 8.071556 30.25184       24.53829 22.36000       39.01173 35.41814       31.56427 18.89160 8.774818 20.49783 8.790154 -1.606228      12.42032 
1 1 1 -32 15 25 o 12.70250 6.075689 -12.22027      21.37368 -35.43496      29.99187 11.73682       30.46766 12.88122 6.377759 17.08303 7.871006 -4.201810      10.13057 
1 1 1 -32 15 26 o 24.15331 8.132416 46.96907       22.74883 20.36769       31.74416 75.05344       32.61702 18.15020 8.237003 27.74692 9.723451 -9.596722      12.74338 
1 1 1 -32 15 27 o 14.84418 6.772350 4.159636       21.81733 20.84856       30.02677 -14.50496      31.75438 18.11797 8.135669 14.65138 7.106161 3.466588       10.80216 
1 1 1 -32 15 28 o 17.03346 7.352281 17.24442       22.35863 69.47942       31.03649 -39.11129      32.23746 26.89447 9.480096 13.04064 6.483287 13.85383       11.48500 
1 1 1 -32 15 29 o 13.91152 6.477807 -0.9956313     21.46857 -44.93459      29.61459 47.67124       31.16718 12.08247 6.039361 21.98495 9.031467 -9.902482      10.86468 
1 1 1 -32 15 30 o 28.22572 8.114849 63.84553       23.61232 67.12113       32.76723 60.30725       34.05574 25.10382 9.585382 23.43231 9.510653 1.671509       13.50304 
1 1 1 -32 15 31 o 17.93609 7.896128 24.32769       26.89838 17.95918       32.68177 37.70000       47.35761 17.27275 8.025806 19.18828 9.140721 -1.915535      12.16414 
1 1 1 -32 15 32 o 22.43965 8.805087 51.24298       28.21888 15.00000       52.28936 66.13583       33.51896 17.49573 8.617123 23.87791 9.524201 -6.382179      12.84388 
1 1 1 -32 15 33 o 27.19471 9.066509 72.27663       28.28248 67.55890       34.00193 82.87000       50.95116 23.76764 9.554239 22.03185 10.16103 1.735790       13.94740 
1 1 1 -32 16 1  o 39.01050 5.733521 91.61142       21.24051 26.31278       30.21613 155.3978       29.86420 19.59867 8.503157 50.08911 6.225112 -30.49044      10.53830 
1 1 1 -32 16 2  o 49.96413 4.695185 141.0019       22.69330 70.89331       31.84204 213.3666       32.35033 28.27921 9.620843 59.93071 5.578785 -31.65151      11.12131 
1 1 1 -32 16 3  o 41.61669 5.438312 102.3349       21.62379 58.39631       30.63231 145.9783       30.52926 25.70880 9.374762 47.76039 6.715674 -22.05159      11.53197 
1 1 1 -32 16 4  o 33.26256 7.277634 74.59518       23.03453 22.04000       37.07165 107.6456       29.39833 19.29327 8.812002 39.16451 7.940822 -19.87124      11.86204 
1 1 1 -32 16 5  o 33.50793 6.675357 72.33956       21.12487 39.51221       29.59347 106.4468       30.16487 21.88597 8.872041 38.40461 8.269176 -16.51863      12.12816 
1 1 1 -32 16 6  o 16.23053 7.270315 8.538838       23.81856 13.95975       28.51154 -3.984000      43.33472 17.63119 7.921542 17.46796 8.430734 0.1632271      11.56841 
1 1 1 -32 16 7  o 14.10250 6.424767 0.5612751      19.54569 15.11961       29.13221 -11.35722      26.35896 17.81799 8.006235 14.23026 6.790156 3.587729       10.49791 
1 1 1 -32 16 8  o 26.44157 7.660635 50.41030       20.96764 49.82190       30.91693 50.91142       28.53191 23.63083 9.232902 24.32609 9.017419 -0.6952667     12.90582 
1 1 1 -32 16 9  o 25.31131 7.857182 47.55560       21.49771 33.71902       32.65393 58.14043       28.56033 20.58108 8.884392 26.00448 9.099744 -5.423401      12.71762 
1 1 1 -32 16 10 o 32.84501 7.217741 73.11667       22.57012 50.48198       33.06449 92.86548       30.88482 23.32171 9.405221 34.05008 9.094639 -10.72836      13.08322 
1 1 1 -32 16 11 o 14.86792 6.752588 3.182896       21.38381 -21.44807      31.03591 25.44342       29.50471 14.26003 6.941257 19.24074 8.374604 -4.980710      10.87727 
1 1 1 -32 16 12 o 26.30079 7.969875 51.79621       22.28699 42.47453       31.66265 60.95011       31.37642 22.03301 9.082466 25.79604 9.474866 -3.763025      13.12495 
1 1 1 -32 16 13 o 18.06340 7.529147 20.36754       22.09726 10.29987       31.61811 29.97993       30.89492 17.37815 8.011034 19.99784 8.637239 -2.619686      11.78043 
1 1 1 -32 16 14 o 15.53122 6.961054 6.693529       21.86931 -9.648554      31.14895 22.57977       30.71144 15.27960 7.315403 18.89225 8.371600 -3.612651      11.11750 
1 1 1 -32 16 15 o 15.79227 7.006263 8.696171       21.57420 -8.760252      30.73719 25.64702       30.28882 15.26820 7.298288 19.29551 8.440114 -4.027309      11.15798 
1 1 1 -32 16 16 o 15.60154 6.950362 8.080663       21.45503 15.07583       30.73059 1.428451       29.96779 17.74679 8.073723 16.07186 7.538850 1.674934       11.04623 
1 1 1 -32 16 17 o 21.39885 7.983259 35.45144       22.43089 10.72481       31.71511 60.19982       31.72905 17.27210 7.983894 25.25623 9.479947 -7.984127      12.39403 
1 1 1 -32 16 18 o 17.37166 7.742066 15.19533       26.64909 12.92621       31.85170 20.49000       48.65457 17.55358 8.073270 19.24099 9.193208 -1.687407      12.23490 
1 1 1 -32 16 19 o 19.33542 8.201596 27.46395       26.95216 14.54602       32.45127 56.19000       48.39197 17.73416 8.153610 22.20001 10.11204 -4.465853      12.98979 
1 1 1 -32 16 20 o 23.72029 8.190672 44.90502       23.10068 60.17948       32.57618 29.45466       32.76321 24.90670 9.545646 19.61739 8.672058 5.289310       12.89666 
1 1 1 -32 16 21 o 16.83246 7.298388 14.99844       22.23168 9.465415       32.00148 20.15971       30.90772 17.08989 7.941182 18.29462 8.231298 -1.204731      11.43751 
1 1 1 -32 16 22 o 13.75012 6.542256 -9.177216      24.11136 5.644000       39.40316 -18.04869      30.48506 17.38839 8.298446 14.25970 6.926979 3.128698       10.80959 
1 1 1 -32 16 23 o 19.19584 8.012152 27.12889       25.07377 6.831000       41.15396 39.11171       31.62029 17.60532 8.423419 21.04675 8.903517 -3.441435      12.25670 
1 1 1 -32 16 24 o 18.21969 7.599062 22.79222       22.53024 16.08554       31.99861 29.38606       31.72825 17.67434 8.115234 19.39295 8.555103 -1.718611      11.79181 
1 1 1 -32 16 25 o 28.64695 7.945685 62.44850       23.05874 54.09536       32.61412 70.79739       32.60583 23.29035 9.359015 26.71894 9.682439 -3.428585      13.46628 
1 1 1 -32 16 26 o 29.48313 7.874663 65.34360       23.15494 36.42847       32.20383 96.29150       33.31658 20.33026 8.799593 32.48975 9.722159 -12.15949      13.11309 
1 1 1 -32 16 27 o 22.76027 8.095331 42.46107       22.67439 33.29794       31.27975 52.60769       32.91562 19.79000 8.618131 22.81078 9.315730 -3.020786      12.69075 
1 1 1 -32 16 28 o 13.23193 6.281610 -7.344121      21.98171 12.37283       29.96101 -30.33064      32.34992 16.76898 7.754375 13.47560 6.663306 3.293374       10.22399 
1 1 1 -32 16 29 o 29.28123 7.923389 66.73222       23.25698 52.61480       32.26284 82.00398       33.55593 22.40827 9.195297 27.97639 9.857721 -5.568119      13.48066 
1 1 1 -32 16 30 f 17.25957 7.709887 20.03737       26.58803 18.38342       31.96643 23.75000       47.89321 17.26951 7.994202 18.18022 8.796059 -0.9107075     11.88604 
1 1 1 -32 16 31 o 23.51633 8.179185 48.93721       23.05441 22.36986       32.05057 77.42171       33.18684 17.50366 8.067718 26.26400 9.727175 -8.760347      12.63748 
1 1 1 -32 16 32 o 18.17357 7.649601 26.92636       23.15227 27.61384       32.46774 26.21512       33.02385 18.03990 8.242260 17.87307 8.220307 0.1668301      11.64080 
1 1 1 -32 17 1  o 21.49806 7.513030 33.47458       19.46479 18.69410       28.78313 45.93033       26.42281 18.21707 8.086735 23.53246 8.685962 -5.315386      11.86765 
1 1 1 -32 17 2  o 17.21404 7.099697 17.30862       19.36073 20.81568       29.12343 14.53137       25.91668 18.54963 8.189172 17.33789 7.686213 1.211740       11.23122 
1 1 1 -32 17 3  o 20.34308 7.516936 29.66895       19.79840 2.179200       28.34289 55.86450       27.66766 16.00650 7.449850 25.66637 8.958131 -9.659866      11.65111 
1 1 1 -32 17 4  o 17.74584 7.253375 19.49329       19.97558 6.028855       29.23187 31.28887       27.36038 16.57934 7.664128 20.26026 8.405780 -3.680912      11.37524 
1 1 1 -32 17 5  o 13.66436 6.297023 -1.906963      19.51349 7.025244       28.61040 -9.676126      26.68282 16.60378 7.641908 14.40334 6.861290 2.200443       10.27015 
1 1 1 -32 17 6  o 28.84862 7.875394 60.87155       22.85718 -26.62000      36.10263 119.4029       29.52910 14.80600 7.265961 41.75752 7.500167 -26.95152      10.44254 
1 1 1 -32 17 7  o 19.04257 8.023646 24.95808       25.51365 3.573833       31.42949 66.28000       43.68986 16.56707 7.754852 24.20474 10.35990 -7.637671      12.94084 
1 1 1 -32 17 8  o 29.06446 7.880360 61.71561       22.97789 23.93331       34.56462 91.63543       30.75864 19.18172 8.660841 33.73527 9.105014 -14.55355      12.56628 
1 1 1 -32 17 9  o 33.61742 7.197935 76.45287       22.97097 58.66695       34.15672 91.13954       31.03842 24.62101 9.679375 33.44580 9.196128 -8.824789      13.35137 
1 1 1 -32 17 10 o 17.21048 7.329172 16.41513       21.67006 -1.966251      31.39256 33.14651       29.95047 16.01396 7.574118 20.49474 8.667390 -4.480783      11.51047 
1 1 1 -32 17 11 o 27.76674 7.920502 56.89174       22.58032 37.19419       33.19645 73.85281       30.80435 21.05123 9.020759 29.07760 9.451034 -8.026369      13.06507 
1 1 1 -32 17 12 o 19.12233 7.681526 25.36095       21.96261 -3.450495      31.95950 51.14204       30.23208 15.95698 7.574979 23.90935 9.187543 -7.952374      11.90761 
1 1 1 -32 17 13 o 20.66766 7.863265 32.00009       22.00080 -8.383520      31.21266 71.87629       31.01595 15.34287 7.339546 28.37401 9.495234 -13.03114      12.00118 
1 1 1 -32 17 14 f 21.40368 7.916002 35.15243       21.96509 48.24442       31.84030 23.26470       30.34058 22.84953 9.224254 18.79191 8.324340 4.057619       12.42503 
1 1 1 -32 17 15 o 14.13358 6.532842 -0.9721131     21.23091 -8.770878      30.16432 6.684259       29.88768 15.04424 7.201684 16.58290 7.694907 -1.538661      10.53925 
1 1 1 -32 17 16 o 11.49717 5.631998 -25.41252      21.39077 4.099009       30.90969 -52.53637      29.63292 16.43790 7.693113 11.88958 5.957347 4.548319       9.730056 
1 1 1 -32 17 17 o 21.64003 8.525193 39.09493       26.54506 40.60437       31.65693 35.52000       48.71845 21.40500 8.973261 20.30016 9.550485 1.104839       13.10462 
1 1 1 -32 17 18 o 20.31777 8.345965 32.97775       26.61291 55.36591       31.80954 -19.25000      48.58464 24.05782 9.375151 16.65344 8.221924 7.404385       12.46970 
1 1 1 -32 17 19 o 16.30978 7.180809 12.15383       22.25023 -18.54183      31.20408 43.90455       31.73582 14.36090 6.983478 21.89713 9.066062 -7.536228      11.44388 
1 1 1 -32 17 20 o 17.45516 7.446189 18.45555       22.43556 43.55973       32.18474 -5.274454      31.29146 21.75171 9.078091 15.47433 7.387770 6.277370       11.70431 
1 1 1 -32 17 21 o 14.94158 6.918036 1.349610       23.95787 7.333000       38.99749 -2.277613      30.36338 17.46016 8.311084 15.60518 7.400826 1.854978       11.12863 
1 1 1 -32 17 22 o 20.16144 7.927018 31.42334       22.91089 14.92111       33.35240 46.16812       31.52644 17.70458 8.185068 22.21003 9.099132 -4.505451      12.23885 
1 1 1 -32 17 23 o 27.29127 8.093353 58.21333       23.16974 35.97640       32.38105 81.54284       33.16702 20.26668 8.797679 28.96253 9.819407 -8.695843      13.18408 
1 1 1 -32 17 24 o 21.48165 8.074384 37.65555       23.03501 44.99739       32.44722 30.19558       32.70720 21.64279 9.079521 19.37894 8.610419 2.263853       12.51307 
1 1 1 -32 17 25 o 16.94145 7.332620 16.67897       22.36034 25.75300       31.84161 7.850693       31.40746 18.77018 8.407140 16.60369 7.765539 2.166496       11.44481 
1 1 1 -32 17 26 o 15.78145 7.086092 10.04901       22.77559 32.50133       32.96203 -10.46401      31.50636 19.54539 8.666348 14.81877 7.161091 4.726618       11.24219 
1 1 1 -32 17 27 o 17.57684 7.504071 21.11902       22.81806 11.83085       31.81556 30.95700       32.74367 16.82331 7.851010 19.14705 8.554287 -2.323746      11.61095 
1 1 1 -32 17 28 o 12.22607 5.945352 -17.94117      22.61659 -61.06285      31.10928 30.40048       32.93843 11.52235 5.816115 18.89090 8.498678 -7.368548      10.29829 
1 1 1 -32 17 29 f 30.22842 8.130633 73.51711       24.57845 83.86382       35.56964 64.06246       34.00171 26.97169 10.05486 23.68471 9.542539 3.286976       13.86219 
1 1 1 -32 17 30 o 14.88128 6.828573 7.223266       22.60859 9.225397       31.99594 5.226773       31.95086 16.08884 7.620502 15.70962 7.490421 0.3792210      10.68543 
1 1 1 -32 17 31 o 12.27986 5.958927 -14.81664      22.40259 -9.950650      31.48229 -19.80812      31.88566 14.34841 6.985787 13.70755 6.747005 0.6408596      9.712018 
1 1 1 -32 18 1  o 38.04083 5.812811 88.32191       20.95838 30.12402       30.05494 143.4105       29.24106 19.96054 8.568890 47.51516 6.453847 -27.55462      10.72744 
1 1 1 -32 18 2  f 52.37823 4.555427 154.6109       23.12327 101.4529       33.26662 204.3027       32.16374 34.87723 9.492586 58.11732 5.728378 -23.24009      11.08709 
1 1 1 -32 18 3  f 22.14581 7.665158 36.33130       20.23630 -1.930937      29.20865 71.64999       28.06264 15.65261 7.373559 29.61297 8.936650 -13.96036      11.58590 
1 1 1 -32 18 4  o 41.32003 5.687948 103.2588       22.39530 37.27924       32.25491 164.6733       31.11908 21.05643 8.953478 51.08170 6.361244 -30.02527      10.98318 
1 1 1 -32 18 5  o 15.68394 6.846286 9.803593       19.84051 -12.96324      28.89935 30.10152       27.28742 14.52826 6.979475 19.99813 8.353529 -5.469870      10.88552 
1 1 1 -32 18 6  o 20.34613 7.682778 30.19775       20.90817 25.64201       31.07268 33.96705       28.26376 19.29565 8.490984 20.69407 8.560728 -1.398428      12.05748 
1 1 1 -32 18 7  o 19.07825 7.607569 25.19432       21.37967 18.69062       32.50815 30.15151       28.38115 18.42378 8.350983 19.99723 8.446146 -1.573456      11.87755 
1 1 1 -32 18 8  o 15.80936 6.982182 9.249909       21.19120 -1.480838      32.19468 17.45313       28.14890 16.16559 7.653093 17.93833 7.978090 -1.772739      11.05530 
1 1 1 -32 18 9  o 14.19275 6.729581 -8.214199      25.08012 -5.978135      30.61154 -12.78000      43.74229 15.47996 7.367077 16.73651 8.167441 -1.256544      10.99913 
1 1 1 -32 18 10 o 19.56210 7.707766 27.52378       21.70158 56.77840       31.68761 1.681482       29.78227 24.65953 9.423595 16.08903 7.536828 8.570507       12.06681 
1 1 1 -32 18 11 o 18.72191 7.577110 24.15718       21.54533 7.202403       31.45241 39.14697       29.57370 16.85124 7.844652 21.39888 8.794871 -4.547640      11.78509 
1 1 1 -32 18 12 o 19.20198 7.687040 26.44518       21.91538 17.97382       32.37084 33.61353       29.77739 18.13985 8.265661 20.34791 8.625468 -2.208054      11.94654 
1 1 1 -32 18 13 o 14.96030 6.769242 4.706933       21.24817 -15.84588      30.47991 24.13834       29.63673 14.47346 7.006114 18.82527 8.287919 -4.351809      10.85243 
1 1 1 -32 18 14 o 18.59875 7.569747 23.77171       21.64439 14.83978       31.08352 32.17915       30.15708 17.66045 8.067277 20.09470 8.604103 -2.434246      11.79456 
1 1 1 -32 18 15 o 15.59084 7.182325 4.198522       25.35489 -0.1657988     29.96884 15.19000       47.55976 15.80158 7.451450 18.67485 8.966864 -2.873275      11.65885 
1 1 1 -32 18 16 o 12.24008 6.020574 -29.00102      25.24690 -35.21835      30.06783 -14.14000      46.48622 12.94490 6.405070 16.69587 8.203759 -3.750972      10.40801 
1 1 1 -32 18 17 o 13.79914 6.608785 -11.54196      25.46796 -19.85717      30.54609 7.419000       46.12638 14.11758 6.875137 17.99724 8.689115 -3.879662      11.08008 
1 1 1 -32 18 18 o 17.86898 7.535435 20.62050       22.53341 38.19030       32.74743 4.820787       31.05407 20.80607 8.938373 16.42028 7.693311 4.385786       11.79328 
1 1 1 -32 18 19 o 17.19997 7.567724 16.25741       24.67472 73.38000       40.97389 -16.24541      30.90749 25.08921 10.33609 14.44241 7.006202 10.64680       12.48686 
1 1 1 -32 18 20 o 25.65293 8.593708 55.11697       25.40512 52.35000       41.21877 56.81204       32.26155 22.06173 9.740919 24.09049 9.425981 -2.028767      13.55487 
1 1 1 -32 18 21 o 26.04661 8.194328 54.13180       23.30072 32.57160       33.03173 75.48556       32.87321 19.78906 8.729490 27.74040 9.758398 -7.951340      13.09314 
1 1 1 -32 18 22 o 17.82252 7.539453 21.28034       22.67321 6.336506       32.48370 35.47736       31.66162 16.55109 7.790357 20.15637 8.724763 -3.605280      11.69663 
1 1 1 -32 18 23 o 14.34034 6.670446 -0.2363721     22.67026 -28.06670      32.31896 26.72147       31.80832 13.71654 6.759396 18.84897 8.425457 -5.132426      10.80175 
1 1 1 -32 18 24 o 32.59406 7.726940 77.88927       24.27434 68.67255       34.46004 86.96722       34.19965 25.49718 9.806057 29.56923 9.971319 -4.072042      13.98521 
1 1 1 -32 18 25 o 14.16691 6.608249 -0.6540093     22.49792 -20.49230      31.70922 19.45597       31.92560 14.03180 6.870164 17.76168 8.136969 -3.729877      10.64939 
1 1 1 -32 18 26 o 15.25926 6.940268 7.625134       22.68966 11.75720       31.86748 3.376669       32.31321 16.76624 7.835237 15.97469 7.592985 0.7915506      10.91074 
1 1 1 -32 18 27 o 22.69165 8.726836 49.27309       27.29182 15.84199       32.95189 122.3000       48.70196 17.12813 7.992179 28.45371 11.43571 -11.32558      13.95172 
1 1 1 -32 18 28 o 23.61369 8.986188 56.47151       28.73731 21.50000       55.20417 69.47103       33.65723 18.05232 8.884010 24.71021 9.639521 -6.657887      13.10900 
1 1 1 -32 18 29 o 17.81089 7.579086 25.07949       23.14235 -1.431279      32.37736 52.77138       33.09075 15.13318 7.299763 21.50299 9.102897 -6.369804      11.66830 
1 1 1 -32 18 30 o 13.64590 6.460831 -2.482390      22.95524 2.222153       32.84658 -6.973749      32.09373 15.44522 7.425381 14.62122 7.103703 0.8239956      10.27613 
1 1 1 -32 19 1  o 15.03900 6.645524 7.043804       19.22162 8.708592       28.79955 5.706485       25.81212 16.78844 7.704934 15.98727 7.321249 0.8011732      10.62858 
1 1 1 -32 19 2  o 19.02907 7.479959 25.08445       20.39521 -45.70397      29.45513 90.28115       28.26785 12.26522 6.113878 34.67160 8.415431 -22.40638      10.40187 
1 1 1 -32 19 3  o 39.52952 5.980085 96.53999       22.41619 38.11695       31.88856 153.6104       31.51727 21.15318 8.944521 48.49419 6.828615 -27.34101      11.25320 
1 1 1 -32 19 4  o 25.01863 7.824674 46.88730       21.27721 40.70107       30.88153 52.47794       29.35734 21.64316 8.950404 24.24074 9.114520 -2.597582      12.77436 
1 1 1 -32 19 5  o 35.98366 6.680122 84.35839       22.66259 65.26881       33.34156 100.7517       30.89730 25.94793 9.722379 35.88559 8.851985 -9.937654      13.14847 
1 1 1 -32 19 6  o 23.28867 7.880171 41.51974       21.35966 44.43988       31.59438 39.06153       28.98788 22.14926 9.095427 21.42430 8.745011 0.7249584      12.61753 
1 1 1 -32 19 7  o 19.94770 7.691601 29.37206       21.23998 21.38510       31.46823 36.05567       28.78637 18.52943 8.323874 20.84193 8.632328 -2.312504      11.99183 
1 1 1 -32 19 8  o 39.11322 6.235585 96.77676       23.07204 83.10960       34.18947 108.2051       31.26402 29.41989 9.969655 37.44989 8.696041 -8.030008      13.22933 
1 1 1 -32 19 9  o 14.31235 6.671301 -2.133729      22.86338 -35.41000      37.28895 17.91239       28.94196 14.33275 7.099107 17.86201 8.006659 -3.529264      10.70065 
1 1 1 -32 19 10 o 23.96421 8.057682 45.02510       22.33299 -2.307800      31.94021 90.30167       31.23870 15.88472 7.549881 32.66455 9.315606 -16.77983      11.99088 
1 1 1 -32 19 11 o 24.03435 8.712816 49.40483       26.40557 25.69200       32.36411 96.62000       45.66808 19.09634 8.519927 27.77573 11.10429 -8.679392      13.99623 
1 1 1 -32 19 12 o 15.15374 6.817442 6.161440       21.19588 20.51926       31.40751 -5.846885      28.72304 18.34475 8.271857 15.02217 7.145520 3.322576       10.93079 
1 1 1 -32 19 13 o 18.25225 7.513438 22.58165       21.62794 38.23905       31.04924 7.824023       30.14389 20.92958 8.836796 16.64558 7.725308 4.283995       11.73752 
1 1 1 -32 19 14 o 15.09780 7.027867 0.8421869      25.23639 3.308119       29.88840 -5.282000      47.10168 16.09678 7.543600 17.22770 8.421823 -1.130928      11.30632 
1 1 1 -32 19 15 o 13.78770 6.622694 -12.67247      25.99762 -25.43667      31.05449 17.23000       47.53146 13.78631 6.760088 18.71354 8.979876 -4.927226      11.23997 
1 1 1 -32 19 16 o 37.27730 6.834345 92.43800       24.01850 67.47623       34.05239 117.1518       33.88282 25.79343 9.789883 37.82134 9.234063 -12.02792      13.45770 
1 1 1 -32 19 17 o 16.41644 7.207799 13.17512       22.27582 19.48837       31.97863 7.224147       31.04754 18.12807 8.242829 16.62532 7.757641 1.502754       11.31924 
1 1 1 -32 19 18 o 18.35117 7.765468 23.17928       24.06517 -19.27000      37.76231 52.20857       31.22782 15.28557 7.486796 23.35036 9.231803 -8.064783      11.88605 
1 1 1 -32 19 19 f 24.16114 8.506653 49.46586       24.98448 41.00000       39.80766 54.96822       32.09262 20.65595 9.313416 23.62935 9.353506 -2.973408      13.19954 
1 1 1 -32 19 20 o 27.01323 8.134384 57.78173       23.26854 42.77714       32.63604 73.29459       33.18419 21.20540 9.011126 26.91190 9.765722 -5.706499      13.28795 
1 1 1 -32 19 21 o 15.38123 6.973849 7.289407       22.68993 -3.555732      32.09895 18.12030       32.07786 15.53059 7.433033 17.75145 8.141244 -2.220854      11.02406 
1 1 1 -32 19 22 o 23.03412 8.210468 44.20354       23.33590 35.67389       33.43034 52.30957       32.58961 20.02809 8.810477 22.78502 9.282950 -2.756929      12.79835 
1 1 1 -32 19 23 o 18.11011 7.638014 23.13325       23.15544 25.66201       33.08677 20.70583       32.41698 18.65416 8.443227 18.02767 8.236344 0.6264935      11.79515 
1 1 1 -32 19 24 o 16.48529 7.278458 15.05635       23.01081 23.14461       32.48863 6.914513       32.59605 18.12237 8.266541 16.36714 7.734197 1.755232       11.32049 
1 1 1 -32 19 25 o 14.76343 6.811623 4.168047       22.93049 -8.847939      31.88952 18.10295       32.99600 14.80889 7.167958 17.45196 8.093678 -2.643067      10.81144 
1 1 1 -32 19 26 o 14.15397 6.744335 -4.409222      25.81690 -13.92737      31.37196 15.56000       45.44079 14.23631 6.940622 17.59168 8.524806 -3.355369      10.99293 
1 1 1 -32 19 27 o 11.90594 5.818093 -19.60609      22.41821 -26.41953      31.30865 -12.43718      32.11498 13.25864 6.555874 14.33887 6.997579 -1.080229      9.588826 
1 1 1 -32 19 28 o 13.38461 6.361898 -4.217762      22.68465 -65.40960      31.44942 62.14840       32.75210 11.21682 5.683095 23.06817 9.339967 -11.85134      10.93309 
1 1 1 -32 19 29 o 15.61433 7.065963 12.81283       23.15944 20.74632       32.38100 4.504652       33.13685 17.09134 7.957497 15.58351 7.483105 1.507833       10.92331 
1 1 1 -32 20 1  o 25.97303 7.799386 50.65712       21.41337 -5.404032      31.27923 100.1049       29.37641 15.48583 7.391346 36.38111 8.416601 -20.89528      11.20139 
1 1 1 -32 20 2  o 45.43788 5.278775 122.5461       23.04130 66.77929       32.99944 175.5988       32.18641 26.12490 9.695208 52.38265 6.410844 -26.25775      11.62308 
1 1 1 -32 20 3  o 16.81569 7.158131 15.81779       20.65574 -30.56539      29.95680 57.85672       28.51944 13.24221 6.522185 25.46689 9.076765 -12.22468      11.17706 
1 1 1 -32 20 4  o 25.77387 7.930174 50.71152       21.95595 14.36511       31.95561 83.21269       30.21800 17.61911 8.097191 31.28502 9.233800 -13.66591      12.28119 
1 1 1 -32 20 5  o 44.36280 5.577015 119.1078       23.68348 61.53685       34.02522 173.2155       32.98594 24.78021 9.684770 51.49191 6.703601 -26.71170      11.77850 
1 1 1 -32 20 6  o 15.02361 6.785933 5.287396       21.24248 9.095084       31.89833 2.253113       28.47510 17.01838 7.914890 15.83242 7.401333 1.185968       10.83629 
1 1 1 -32 20 7  o 36.91469 6.650675 89.06997       23.14721 92.99011       33.80305 85.60886       31.76237 31.91133 9.843536 31.11081 9.531842 0.8005180      13.70223 
1 1 1 -32 20 8  o 10.99926 5.414488 -27.84091      20.55129 -55.01835      29.38398 -1.816208      28.75407 11.66082 5.855249 15.41704 7.278851 -3.756217      9.341606 
1 1 1 -32 20 9  f 17.84153 7.388011 20.80396       21.07928 -23.35300      30.80944 59.66531       28.90301 13.89357 6.796041 25.68980 9.139571 -11.79624      11.38938 
1 1 1 -32 20 10 o 16.48411 7.147810 14.06029       21.32661 11.41328       31.41643 16.32259       29.04386 17.14839 7.933575 17.55211 7.930753 -0.4037189     11.21777 
1 1 1 -32 20 11 o 19.04130 7.833683 26.53633       23.49302 33.92000       38.34477 22.09904       29.72550 19.98997 9.064410 18.38017 8.185069 1.609804       12.21306 
1 1 1 -32 20 12 o 18.97675 8.048914 26.34833       25.95502 5.052094       31.31760 73.06000       46.38203 16.43258 7.707643 23.97617 10.46683 -7.543591      12.99855 
1 1 1 -32 20 13 o 14.49930 6.849466 -4.587790      25.52888 -3.619467      30.62515 -6.793000      46.21608 15.47422 7.365583 17.02287 8.326073 -1.548651      11.11644 
1 1 1 -32 20 14 o 18.93731 8.076991 26.31682       26.38930 22.38295       31.57542 35.43000       48.05892 18.45254 8.309540 20.01415 9.437384 -1.561613      12.57429 
1 1 1 -32 20 15 o 28.93703 7.915027 63.08633       23.06164 47.78103       32.88931 77.88982       32.34565 22.22076 9.217331 28.60273 9.697062 -6.381969      13.37880 
1 1 1 -32 20 16 o 19.65023 8.012118 29.89392       24.30048 22.66000       38.99113 34.48819       31.07327 18.71982 8.721169 20.16423 8.685280 -1.444407      12.30824 
1 1 1 -32 20 17 o 11.80431 5.804113 -27.43159      23.39464 -32.80000      36.95885 -23.84253      30.21943 14.27856 7.071442 13.65703 6.690875 0.6215305      9.735147 
1 1 1 -32 20 18 o 22.69701 8.114431 42.40002       22.81013 11.02369       32.42056 73.15634       32.09863 16.98296 7.925447 27.24598 9.637635 -10.26302      12.47785 
1 1 1 -32 20 19 o 16.67346 7.265537 15.63781       22.26153 -7.788394      31.20925 39.90298       31.76317 15.00967 7.221617 20.73394 8.852809 -5.724266      11.42471 
1 1 1 -32 20 20 o 16.24278 7.191500 13.03647       22.61650 -21.50888      31.68502 48.91976       32.29277 14.00565 6.859488 22.15614 9.156644 -8.150494      11.44101 
1 1 1 -32 20 21 o 17.99774 7.587722 22.62449       22.83747 -3.926629      31.89320 50.56433       32.71664 15.42669 7.390222 22.37234 9.228379 -6.945656      11.82279 
1 1 1 -32 20 22 o 14.33492 6.655591 1.056966       22.40829 4.988711       31.45168 -2.996301      31.93404 16.08824 7.600843 15.40293 7.383123 0.6853085      10.59638 
1 1 1 -32 20 23 o 21.36648 8.124178 39.31107       23.47617 29.30413       33.12691 49.40721       33.27422 18.78925 8.481668 21.67340 9.149244 -2.884153      12.47587 
1 1 1 -32 20 24 o 21.31092 8.238992 40.48787       24.41761 38.17215       33.55758 43.09346       35.59592 19.78615 8.760160 20.29658 9.002337 -0.5104351     12.56115 
1 1 1 -32 20 25 o 31.19806 9.302146 90.81435       30.54223 79.28000       59.09231 95.01882       35.67717 21.27144 10.15458 29.14624 10.17248 -7.874796      14.37341 
1 1 1 -32 20 26 o 19.16239 7.871700 31.92158       23.67556 64.70046       34.27652 2.014075       32.74083 23.28533 9.507564 15.47911 7.434348 7.806221       12.06911 
1 1 1 -32 20 27 o 14.50277 6.735294 4.816267       22.97138 -6.823696      32.87403 15.92300       32.11222 14.68539 7.147302 16.61134 7.795724 -1.925952      10.57626 
1 1 1 -32 20 28 o 15.22047 7.148643 7.603700       27.09502 0.4210208      32.38859 24.35000       49.45478 15.07156 7.277701 17.49453 8.568545 -2.422975      11.24210 
1 1 1 -32 21 1  o 16.94651 7.225481 16.63637       21.10600 -26.90609      31.32500 52.83801       28.56266 13.71760 6.739146 24.11102 9.005888 -10.39342      11.24821 
1 1 1 -32 21 2  o 27.02686 7.899855 55.49833       22.20948 30.77194       33.38580 75.12744       29.74622 19.63293 8.712619 29.17411 9.268873 -9.541176      12.72092 
1 1 1 -32 21 3  o 15.51601 7.161246 4.240007       25.37536 -47.92349      32.03036 92.16000       41.58363 12.58689 6.289879 28.00444 10.77159 -15.41755      12.47356 
1 1 1 -32 21 4  o 26.80151 7.817513 54.20873       21.76903 44.42600       32.61835 62.06538       29.23146 21.72707 9.108404 26.06350 9.199149 -4.336426      12.94555 
1 1 1 -32 21 5  o 22.68000 7.912285 40.42374       21.58311 33.56040       32.12984 46.06746       29.13560 20.03345 8.729149 22.49972 8.910328 -2.466272      12.47365 
1 1 1 -32 21 6  o 34.43208 6.994399 80.33794       22.76803 76.30184       33.60684 83.76202       30.95419 27.75356 9.857159 30.78906 9.405307 -3.035501      13.62437 
1 1 1 -32 21 7  o 13.57188 6.350795 -4.104156      21.05057 -16.58364      31.47674 5.993354       28.31384 14.48470 7.036847 16.14056 7.489619 -1.655865      10.27675 
1 1 1 -32 21 8  o 17.52479 7.331993 19.58424       21.07157 2.405963       30.93468 34.45400       28.78113 16.08742 7.581435 20.31138 8.537980 -4.223961      11.41820 
1 1 1 -32 21 9  o 22.53686 7.916289 40.00749       21.62802 22.72562       32.31724 54.02673       29.10725 18.52440 8.368317 24.19381 9.080116 -5.669409      12.34817 
1 1 1 -32 21 10 f 18.37514 7.578907 23.54346       22.06380 15.74618       31.70544 30.86527       30.72357 17.61715 8.084910 19.62721 8.544286 -2.010063      11.76310 
1 1 1 -32 21 11 f 32.50245 8.571339 83.64131       27.65458 60.26055       33.39133 134.7000       49.34455 24.37200 9.573682 32.09431 11.86568 -7.722309      15.24630 
1 1 1 -32 21 12 o 15.25013 7.093750 2.143076       25.64047 5.589026       31.23629 -4.975000      44.89379 16.41203 7.697883 16.93885 8.267942 -0.5268211     11.29674 
1 1 1 -32 21 13 o 13.87552 6.477571 -2.678468      21.68779 15.66638       31.41458 -19.38404      29.97815 17.54720 8.050931 13.95646 6.799856 3.590734       10.53829 
1 1 1 -32 21 14 o 15.32216 7.158281 1.705957       26.56669 7.248616       31.96289 -10.68000      47.78062 16.63264 7.796738 16.81530 8.273255 -0.1826591     11.36820 
1 1 1 -32 21 15 o 18.40784 7.811465 24.31342       24.46669 6.450000       38.39374 36.52800       31.74807 17.07971 8.162183 20.27400 8.756097 -3.194284      11.97040 
1 1 1 -32 21 16 f 20.32432 8.082232 33.92706       24.06607 -3.989000      36.83553 62.16494       31.78860 16.04111 7.749649 24.83225 9.450912 -8.791136      12.22198 
1 1 1 -32 21 17 f 20.26896 7.903296 33.06790       22.61629 9.505914       31.92403 56.80853       32.04483 16.70916 7.819502 23.63438 9.349366 -6.925220      12.18832 
1 1 1 -32 21 18 o 18.88206 7.714224 27.04254       22.58170 39.37459       31.91214 14.67455       31.95861 20.55610 8.827198 17.25497 7.989483 3.301126       11.90593 
1 1 1 -32 21 19 o 13.10614 6.245852 -9.154455      22.15631 -17.74380      31.05797 -0.2531003     31.61702 14.14942 6.899925 15.69819 7.475496 -1.548771      10.17310 
1 1 1 -32 21 20 o 17.62647 7.516920 21.36779       22.85116 -3.556496      31.90696 47.61384       32.74207 15.34833 7.363028 21.63428 9.101060 -6.285957      11.70656 
1 1 1 -32 21 21 o 13.43039 6.387251 -6.738929      22.93037 -26.32738      32.14626 13.55272       32.71818 13.59644 6.708008 16.95106 7.927326 -3.354618      10.38460 
1 1 1 -32 21 22 o 14.43475 6.725965 1.732694       23.20667 44.16074       32.68377 -41.40588      32.95630 20.75692 8.923645 12.81287 6.399340 7.944049       10.98103 
1 1 1 -32 21 23 o 12.68264 6.199402 -19.44776      25.50587 -10.30034      31.42107 -37.12000      43.67345 14.46865 7.029411 14.51401 7.266502 -0.4535961E-01 10.11013 
1 1 1 -32 21 24 o 16.45648 7.602259 14.69471       28.69187 70.77000       57.10496 -4.241786      33.18470 20.63634 9.886706 15.05822 7.294236 5.578119       12.28629 
1 1 1 -32 21 25 o 17.47462 7.511109 23.79753       23.14720 -13.91705      31.94760 65.47423       33.58383 14.05309 6.883792 23.38102 9.461005 -9.327933      11.70031 
1 1 1 -32 21 26 o 24.07695 8.264132 52.67048       23.50530 46.80260       32.84886 58.82754       33.64860 20.40642 8.859650 22.15511 9.266952 -1.748693      12.82068 
1 1 1 -32 22 1  o 18.96789 7.621961 26.28150       21.63077 5.060607       32.83898 42.54506       28.74853 16.54636 7.801881 21.78058 8.774791 -5.234215      11.74165 
1 1 1 -32 22 2  f 24.43451 7.970801 46.93817       21.90038 36.65986       33.67346 54.47284       28.83096 20.35946 8.902496 24.30346 9.053954 -3.944000      12.69758 
1 1 1 -32 22 3  o 26.24969 7.888451 52.87814       21.89907 14.99784       32.83197 83.23769       29.39260 17.58113 8.125509 31.38346 9.063349 -13.80233      12.17244 
1 1 1 -32 22 4  o 16.96335 7.213799 17.09276       20.94205 -19.66141      32.27352 43.82405       27.52345 14.35555 7.007704 22.21247 8.701863 -7.856913      11.17275 
1 1 1 -32 22 5  f 25.12938 7.929066 49.19893       21.80139 22.75050       32.80601 70.11797       29.17591 18.47575 8.380343 27.96312 9.204515 -9.487373      12.44802 
1 1 1 -32 22 6  o 29.29733 7.763067 63.75543       22.61586 9.739517       33.72298 107.9062       30.48838 17.07171 8.004467 37.36970 8.524298 -20.29799      11.69338 
1 1 1 -32 22 7  o 25.87351 7.969182 52.14716       22.16541 41.13809       33.30449 60.90095       29.69787 20.99888 9.017530 25.47091 9.239117 -4.472031      12.91035 
1 1 1 -32 22 8  o 12.43960 5.968219 -13.23318      20.97501 -30.37505      31.08435 1.096641       28.42059 13.37774 6.599388 15.53949 7.305681 -2.161751      9.845044 
1 1 1 -32 22 9  o 14.88542 6.942336 0.5235003      24.81489 -4.040307      30.47134 9.510000       42.75857 15.32513 7.309276 17.71577 8.505273 -2.390638      11.21451 
1 1 1 -32 22 10 o 14.39745 6.789238 -3.661602      24.87757 -21.00773      30.39369 31.55000       43.30369 13.88502 6.782888 19.53276 9.129888 -5.647746      11.37376 
1 1 1 -32 22 11 o 15.80435 7.044115 10.34272       22.06533 -1.360270      32.01404 20.93330       30.45453 15.75895 7.509438 18.07808 8.149062 -2.319130      11.08147 
1 1 1 -32 22 12 o 15.57476 6.951725 9.670125       21.57063 -15.03577      31.37463 31.81615       29.70477 14.45164 7.021853 19.57357 8.461655 -5.121932      10.99573 
1 1 1 -32 22 13 o 24.48715 8.423263 51.16700       24.42319 -10.91000      38.47371 93.06699       31.60862 15.70553 7.663335 32.26862 9.422240 -16.56309      12.14518 
1 1 1 -32 22 14 o 26.97913 8.428518 60.52953       24.69503 59.14000       39.37829 61.43024       31.70418 22.58549 9.753041 24.59988 9.419786 -2.014387      13.55928 
1 1 1 -32 22 15 o 25.86579 8.348979 55.81546       24.06398 35.03408       34.75020 74.96256       33.35582 19.73415 8.814821 26.89203 9.786199 -7.157883      13.17083 
1 1 1 -32 22 16 o 20.51307 8.415041 36.77622       27.00942 29.74253       32.08870 53.87000       50.02414 19.09583 8.503960 20.97019 9.805365 -1.874361      12.97931 
1 1 1 -32 22 17 o 15.96961 7.093603 12.06643       22.18309 14.97245       30.65732 8.872866       32.13830 17.14896 7.899247 16.60007 7.793113 0.5488930      11.09643 
1 1 1 -32 22 18 o 17.36654 7.455274 20.26599       22.75046 47.54018       32.02567 -7.519461      32.32443 21.63711 9.044811 15.02889 7.260387 6.608219       11.59835 
1 1 1 -32 22 19 o 15.96220 7.068545 13.20063       21.85939 29.39958       30.05878 -4.982186      31.84628 18.78434 8.304995 15.09110 7.269459 3.693236       11.03712 
1 1 1 -32 22 20 o 11.28870 5.570734 -27.42307      22.21417 -0.9760875     31.00401 -55.32250      31.84400 15.26854 7.306951 11.89455 5.988855 3.373991       9.447641 
1 1 1 -32 22 21 o 13.33751 6.439402 -11.32470      25.33357 -49.42156      31.53942 57.95000       42.53011 12.06178 6.057903 21.16064 9.575653 -9.098863      11.33099 
1 1 1 -32 22 22 o 20.08745 8.528772 39.98215       29.19295 11.37000       57.66262 49.84328       33.85183 17.44914 8.674324 21.02558 9.060863 -3.576433      12.54365 
1 1 1 -32 22 23 o 15.51460 7.018392 12.04252       22.82504 1.262198       31.66225 23.70643       32.93427 15.21712 7.309129 17.49111 8.102901 -2.273998      10.91240 
1 1 1 -32 22 24 o 13.60991 6.433594 -1.509446      22.59270 15.04514       31.61045 -18.79694      32.30260 16.40959 7.711615 13.71268 6.757529 2.696911       10.25345 
1 1 1 -32 22 25 o 16.70860 7.544287 20.23540       26.22793 4.559569       31.71684 54.14000       46.64488 15.31337 7.344888 19.50579 9.227700 -4.192425      11.79397 
1 1 1 -32 23 1  o 24.93931 8.069310 49.68971       22.47038 17.65582       33.87288 74.86584       30.02905 17.85287 8.251882 28.66355 9.332409 -10.81068      12.45742 
1 1 1 -32 23 2  o 27.42782 7.948383 57.99538       22.56978 6.080247       34.09337 98.49585       30.11293 16.68734 7.892787 34.93888 8.808754 -18.25154      11.82752 
1 1 1 -32 23 3  o 20.46636 7.801049 32.89952       21.67914 2.150695       32.94510 56.38281       28.79095 16.19055 7.687316 24.59342 9.068735 -8.402863      11.88852 
1 1 1 -32 23 4  o 20.01549 7.796293 31.26660       21.98964 -3.687118      33.55140 57.58693       29.11453 15.73948 7.550600 24.76187 9.121519 -9.022384      11.84119 
1 1 1 -32 23 5  o 13.63328 6.362479 -2.750538      20.89723 5.601948       31.64489 -9.209641      27.82798 16.36259 7.697741 14.35238 6.882885 2.010216       10.32615 
1 1 1 -32 23 6  o 15.45813 6.934521 8.716792       21.75630 36.77426       32.79661 -13.33377      29.07465 20.21950 8.814595 14.19728 6.865241 6.022216       11.17267 
1 1 1 -32 23 7  o 14.55383 6.849826 -1.990262      25.10628 0.5604180      31.81429 -6.201000      40.87646 15.83204 7.527740 16.30899 7.944757 -0.4769535     10.94468 
1 1 1 -32 23 8  o 17.59348 7.727336 20.01897       25.62354 21.28258       32.61070 17.98000       41.42471 18.06298 8.255682 18.09657 8.600270 -0.3358650E-01 11.92145 
1 1 1 -32 23 9  o 19.29270 8.120407 29.99295       26.08856 24.69156       32.54758 39.52000       43.63178 18.44090 8.357669 19.97031 9.277229 -1.529406      12.48670 
1 1 1 -32 23 10 o 15.61934 6.951441 10.51788       21.40751 11.20175       31.52999 9.933021       29.15848 16.79708 7.831102 16.43501 7.617344 0.3620682      10.92475 
1 1 1 -32 23 11 o 16.14211 7.111848 13.32714       21.85976 10.18449       32.12879 16.03580       29.82801 16.72746 7.833388 17.21309 7.877943 -0.4856377     11.10963 
1 1 1 -32 23 12 o 12.76558 6.152474 -13.75478      22.88280 -38.27000      35.47230 3.718207       29.94712 13.56255 6.752290 15.81325 7.454440 -2.250697      10.05794 
1 1 1 -32 23 13 o 14.10565 6.649045 -3.185651      23.81871 -18.49000      37.87421 6.827469       30.63521 15.07573 7.407138 16.22129 7.613198 -1.145555      10.62198 
1 1 1 -32 23 14 o 13.01720 6.218876 -9.837638      22.25218 1.496428       31.46285 -21.18105      31.47582 15.77824 7.497543 13.92257 6.822539 1.855668       10.13707 
1 1 1 -32 23 15 o 27.83525 8.123573 62.11354       23.50114 57.43097       33.43832 66.68427       33.03658 23.15128 9.413902 25.02993 9.607795 -1.878647      13.45107 
1 1 1 -32 23 16 o 15.31411 7.027747 7.249975       23.95320 8.904000       36.14481 5.954740       31.98519 16.72394 7.972053 16.09805 7.623198 0.6258945      11.03027 
1 1 1 -32 23 17 o 19.08011 7.821343 29.76797       23.31056 6.841152       31.82498 56.30561       34.23950 16.10330 7.619272 22.44039 9.364291 -6.337086      12.07242 
1 1 1 -32 23 18 o 17.17775 7.672671 19.69506       26.32598 13.39894       30.95025 36.17000       50.06564 16.63709 7.757267 18.97938 9.135416 -2.342291      11.98462 
1 1 1 -32 23 19 o 18.60019 7.704174 28.25485       22.93027 51.43541       32.26416 4.596522       32.59496 21.68481 9.072559 15.80037 7.542502 5.884439       11.79833 
1 1 1 -32 23 20 o 14.11229 6.691137 -1.558246      24.78914 3.220245       30.73661 -10.45000      41.92801 15.38267 7.337914 15.49252 7.646743 -0.1098471     10.59800 
1 1 1 -32 23 21 o 15.05999 6.858185 9.530982       22.24310 32.79486       31.01302 -15.11282      31.91956 18.60851 8.318610 13.96176 6.847655 4.646741       10.77449 
1 1 1 -32 23 22 o 18.86857 7.758864 31.57225       23.03187 5.877446       31.38956 61.53951       33.89894 15.45892 7.385600 22.33087 9.318024 -6.871951      11.89002 
1 1 1 -32 23 23 o 21.95267 8.074639 44.47028       22.80097 9.622221       31.23613 84.21687       33.35937 15.78841 7.493164 26.89426 9.786762 -11.10584      12.32592 
1 1 1 -32 24 1  o 25.27221 8.077199 51.86194       22.56201 36.39611       34.21146 63.76552       30.01401 19.87947 8.820989 25.54830 9.285130 -5.668823      12.80717 
1 1 1 -32 24 2  o 13.32203 6.282608 -5.231426      21.31090 -22.24134      32.08707 8.193629       28.50605 13.95470 6.848552 16.13582 7.496863 -2.181127      10.15409 
1 1 1 -32 24 3  o 15.16682 6.834227 7.900617       21.39713 27.13275       32.20401 -7.300099      28.63045 18.68582 8.405163 14.54611 6.977273 4.139713       10.92379 
1 1 1 -32 24 4  o 19.46015 7.754210 29.89084       22.19588 52.47904       33.91160 12.96165       29.35794 22.30361 9.314188 16.77529 7.728176 5.528315       12.10284 
1 1 1 -32 24 5  o 13.55489 6.518328 -11.27152      25.35084 -57.14405      32.16736 63.92000       41.18353 11.98803 6.033745 22.80473 9.910357 -10.81670      11.60264 
1 1 1 -32 24 6  f 17.23216 7.658388 18.26106       25.88986 13.30914       32.48677 26.88000       42.85946 17.04351 7.947007 18.73972 8.859328 -1.696209      11.90137 
1 1 1 -32 24 7  o 14.52606 6.853387 -1.840833      25.40900 -9.123759      31.66841 11.32000       42.57111 14.84436 7.174927 17.49296 8.420968 -2.648597      11.06310 
1 1 1 -32 24 8  o 22.27960 8.035758 41.40352       22.42516 25.78486       31.87594 56.70872       31.55444 18.46973 8.330301 23.50407 9.283907 -5.034346      12.47336 
1 1 1 -32 24 9  o 26.12619 8.197751 55.98682       23.33524 35.83168       33.23172 75.59182       32.77504 19.80394 8.745110 27.11225 9.722754 -7.308308      13.07704 
1 1 1 -32 24 10 o 13.35948 6.374286 -8.570134      23.22215 -20.92000      36.27369 0.6540575E-02  30.22874 14.67360 7.217362 15.45103 7.344057 -0.7774210     10.29687 
1 1 1 -32 24 11 o 10.21040 5.129624 -46.67415      22.70128 -54.41000      34.89782 -40.99927      29.88976 12.62309 6.344217 12.31906 6.143584 0.3040276      8.831347 
1 1 1 -32 24 12 o 15.18675 6.880465 8.027951       22.03591 -6.349319      30.92019 22.86681       31.41262 14.88400 7.167996 17.96271 8.168387 -3.078712      10.86751 
1 1 1 -32 24 13 o 13.51412 6.366431 -3.510508      21.77857 7.990985       30.60504 -15.30911      30.99781 16.12276 7.580318 14.11583 6.885677 2.006927       10.24079 
1 1 1 -32 24 14 o 15.87698 7.028868 13.28012       21.60011 2.330171       29.62706 25.70447       31.55870 15.39465 7.303766 18.15375 8.228402 -2.759092      11.00235 
1 1 1 -32 24 15 o 16.18758 7.109924 15.27554       21.69306 10.43934       29.77264 20.74871       31.67267 16.20538 7.573198 17.48684 8.045481 -1.281464      11.04912 
1 1 1 -32 24 16 o 15.40144 6.942135 10.69333       22.09811 9.457744       30.65627 12.02975       31.88268 16.09553 7.573483 16.45418 7.736387 -0.3586559     10.82633 
1 1 1 -32 24 17 o 16.81704 7.326329 19.37951       22.62398 34.87666       31.69106 3.272973       32.30813 19.07338 8.475079 15.57776 7.456039 3.495621       11.28802 
1 1 1 -32 24 18 o 17.19765 7.799212 21.59237       28.39836 39.33000       37.91750 -1.068000      42.85736 19.11543 8.797756 16.02736 7.875632 3.088066       11.80788 
1 1 1 -32 24 19 o 14.05181 6.979992 -24.12982      37.04952 18.10000       58.28693 -52.76000      47.99252 17.42003 8.669960 14.07672 7.119419 3.343305       11.21848 
1 1 1 -32 24 20 o 17.45547 7.746655 25.16436       26.39614 29.61425       31.31822 14.25000       49.04801 17.95162 8.160510 16.89477 8.325871 1.056850       11.65822 
1 1 1 -32 24 21 o 12.55706 6.050441 -9.860089      22.09672 -1.766284      30.09311 -19.32963      32.55030 14.61698 7.047465 13.65109 6.737801 0.9658899      9.750114 
1 1 1 -32 25 1  o 20.68851 7.978438 35.75108       22.85614 -6.125513      33.54534 72.03727       31.22606 15.31198 7.396921 26.83876 9.504596 -11.52678      12.04375 
1 1 1 -32 25 2  o 14.21654 6.603778 0.8321337      22.10123 -12.26797      32.05908 12.69694       30.51014 14.62036 7.102498 16.76913 7.779012 -2.148768      10.53368 
1 1 1 -32 25 3  o 16.82667 7.582086 15.71921       26.33552 -27.39909      32.43259 99.18000       45.12238 13.61972 6.722932 26.71102 10.90769 -13.09130      12.81310 
1 1 1 -32 25 4  o 22.81374 8.717962 48.71731       27.11925 20.32161       33.69951 100.9000       45.68363 17.79276 8.226441 26.75702 10.95661 -8.964256      13.70115 
1 1 1 -32 25 5  o 13.49613 6.497368 -11.32173      25.35351 -34.32410      31.35043 32.16000       43.10332 12.97931 6.442724 19.06472 8.973607 -6.085407      11.04691 
1 1 1 -32 25 6  o 32.45346 7.728212 79.04388       24.19609 72.70639       33.90882 85.61824       34.53668 25.77877 9.772713 28.28035 9.997558 -2.501577      13.98060 
1 1 1 -32 25 7  o 25.76344 8.172107 55.31977       23.13104 38.30620       32.48104 72.82648       32.94841 19.95498 8.734114 26.05526 9.684235 -6.100283      13.04106 
1 1 1 -32 25 8  o 22.15602 8.361920 44.34523       24.76081 33.33000       38.79053 51.91967       32.16650 19.01969 8.805031 22.10403 9.137260 -3.084345      12.68929 
1 1 1 -32 25 9  o 15.50414 7.087328 9.136402       24.04658 -24.62000      36.99834 33.82432       31.64072 14.35672 7.103880 19.23312 8.511240 -4.876396      11.08631 
1 1 1 -32 25 10 o 24.73457 8.291842 53.20683       23.65124 -19.33705      32.99548 129.8705       33.91946 14.07990 6.917010 39.14472 9.035662 -25.06482      11.37929 
1 1 1 -32 25 11 o 18.33903 7.933766 27.27123       26.15216 51.30344       31.57726 -25.21000      46.66374 21.90650 9.054163 15.35834 7.661958 6.548164       11.86101 
1 1 1 -32 25 12 o 13.30031 6.309829 -5.068879      22.10689 14.77296       31.25483 -24.93367      31.27290 16.71567 7.794383 13.37314 6.601295 3.342530       10.21418 
1 1 1 -32 25 13 o 28.49722 7.990475 65.91261       23.18328 63.87448       32.34655 68.06540       33.24408 23.82101 9.402635 24.34773 9.556032 -0.5267200     13.40624 
1 1 1 -32 25 14 o 16.43574 7.216234 17.48855       22.32770 33.44655       31.23422 0.8121788      31.92952 18.84246 8.390621 15.28675 7.341885 3.555711       11.14925 
1 1 1 -32 25 15 o 15.65799 7.008681 13.38405       22.09106 46.35852       30.74693 -21.80065      31.76068 20.73347 8.775749 13.50733 6.664724 7.226144       11.01963 
1 1 1 -32 25 16 o 21.49136 8.056745 42.40641       22.90225 9.070504       30.89388 83.07711       34.12379 15.77923 7.478045 26.45489 9.851082 -10.67566      12.36790 
1 1 1 -32 25 17 o 21.88799 8.141643 45.03975       23.29632 41.85360       32.07501 48.59709       33.89196 19.53673 8.610811 20.26087 8.893356 -0.7241383     12.37893 
1 1 1 -32 25 18 o 15.60536 7.012157 14.10379       22.34824 19.35663       30.77117 8.240192       32.51091 16.70065 7.769375 15.68910 7.501232 1.011542       10.79961 
1 1 1 -32 25 19 o 14.55596 6.836090 5.019607       24.77044 -18.40150      30.25997 52.59000       43.12541 13.29033 6.547662 19.48331 9.108180 -6.192989      11.21743 
1 1 1 -32 26 1  o 21.61082 9.453104 56.79450       37.99781 51.19000       65.40379 59.65000       46.68476 19.42787 9.581843 20.89185 9.667456 -1.463987      13.61144 
1 1 1 -32 26 2  o 18.50929 8.556890 30.03634       36.44818 -18.79000      62.04879 55.76000       45.03732 16.63896 8.375329 20.66834 9.539676 -4.029383      12.69455 
1 1 1 -32 26 3  o 26.61922 8.958686 67.14256       27.60644 51.69455       34.09290 96.56000       47.04683 21.46952 9.169437 24.87438 10.70023 -3.404861      14.09161 
1 1 1 -32 26 4  o 13.94674 6.524694 0.1223547      22.19777 7.906034       31.33732 -7.716272      31.44773 16.01862 7.573668 14.64401 7.095295 1.374611       10.37804 
1 1 1 -32 26 5  o 23.54500 8.292658 49.55758       23.74481 -2.621926      33.22935 104.0006       33.94245 15.26227 7.370226 32.26519 9.847394 -17.00291      12.30006 
1 1 1 -32 26 6  o 29.95242 8.538725 76.79775       26.25078 67.91000       40.29196 83.35275       34.60257 22.59330 9.810622 27.02669 9.946134 -4.433388      13.97046 
1 1 1 -32 26 7  o 21.17789 8.325735 42.03524       25.27118 8.751000       37.75157 69.06013       34.01713 16.50410 7.941125 24.30957 9.627620 -7.805466      12.48009 
1 1 1 -32 26 8  o 14.31134 6.656144 3.045437       22.56241 -33.40515      31.80402 39.97696       32.01315 12.88652 6.412102 19.76474 8.660385 -6.878222      10.77577 
1 1 1 -32 26 9  o 16.13773 7.156342 15.70220       22.48352 24.61469       31.43805 6.371314       32.16750 17.68817 8.092505 15.80014 7.528603 1.888034       11.05299 
1 1 1 -32 26 10 o 24.43017 8.217646 53.04239       23.22840 30.55818       32.38325 76.87101       33.33735 18.34442 8.322913 25.81935 9.711728 -7.474934      12.79017 
1 1 1 -32 26 11 o 34.70633 7.228143 88.55119       23.75642 35.96022       32.60640 148.0541       34.68298 18.93820 8.493018 42.02817 8.716975 -23.08998      12.17033 
1 1 1 -32 26 12 o 20.25019 7.885652 36.96286       22.49195 8.342237       31.18720 67.98313       32.46831 15.73343 7.472910 24.07216 9.445071 -8.338724      12.04383 
1 1 1 -32 26 13 o 15.71439 7.036980 14.49230       22.29591 4.887270       30.95125 24.85252       32.14499 15.31782 7.322456 17.40953 8.044023 -2.091712      10.87771 
1 1 1 -32 26 14 o 16.99667 7.366186 22.43399       22.62540 23.33031       31.15130 21.43326       32.91585 17.12445 7.914572 16.93980 7.931512 0.1846504      11.20488 
1 1 1 -32 26 15 f 14.07887 6.677393 0.6180477      24.72513 -26.37162      30.09303 56.69000       43.37506 12.76906 6.333842 19.89831 9.245869 -7.129249      11.20730 
1 1 1 -32 26 16 o 16.32587 7.178979 18.85041       22.17518 -6.389382      30.18277 48.45338       32.68766 14.17003 6.885523 20.26401 8.817438 -6.093976      11.18739 
1 1 1 -32 26 17 o 10.71892 5.367547 -37.58670      23.88551 -59.27499      28.99282 8.230000       42.13954 10.77999 5.461202 15.97704 7.842538 -5.197055      9.556681 
1 1 1 -32 27 1  o 19.24697 8.115193 34.73062       26.12716 0.7319973      31.25529 113.6000       47.60440 15.07533 7.246453 26.02903 10.96327 -10.95370      13.14170 
1 1 1 -32 27 2  o 45.41920 5.939569 135.1616       25.77381 60.12058       35.97095 214.3347       36.94803 21.81573 9.369987 54.45517 7.100770 -32.63944      11.75660 
1 1 1 -32 27 3  o 23.70767 9.049004 60.40728       29.19582 -34.18000      66.55485 82.94638       32.48865 15.99619 8.121783 27.29490 9.692034 -11.29871      12.64511 
1 1 1 -32 27 4  o 19.72264 8.705120 42.54679       32.89170 0.000000       0.000000 42.54679       32.89170 ?        ?        19.72264 8.705120 ?              ?        
1 1 1 -32 27 5  f 16.11579 7.310302 15.63717       24.96740 -8.342000      38.56707 32.93704       32.75827 15.11672 7.436631 18.43964 8.368035 -3.322923      11.19498 
1 1 1 -32 27 6  o 13.23957 6.308917 -4.651257      22.59642 -42.29274      31.16059 37.09579       32.81597 12.14897 6.090413 18.92144 8.500092 -6.772472      10.45680 
1 1 1 -32 27 7  o 15.96792 7.153044 15.79370       23.05953 0.4629787      31.56099 33.34923       33.77352 14.98984 7.224743 18.35355 8.393443 -3.363706      11.07460 
1 1 1 -32 27 8  o 30.03795 8.103220 75.59866       24.36953 47.03316       33.34863 108.3320       35.69870 20.09267 8.820586 30.79932 10.18350 -10.70664      13.47243 
1 1 1 -32 27 9  o 35.27352 7.383471 94.23318       24.67337 36.56947       33.14579 165.8938       36.95025 18.64120 8.442726 43.55258 8.966486 -24.91138      12.31574 
1 1 1 -32 27 10 o 13.77953 6.468076 1.746505       22.12539 -5.871603      30.55705 10.14207       32.07840 14.23047 6.917914 15.73173 7.502185 -1.501258      10.20492 
1 1 1 -32 27 11 o 15.40625 6.927935 13.56581       21.86089 35.16462       30.80009 -8.361129      31.03317 18.53471 8.287500 14.10265 6.881514 4.432061       10.77209 
1 1 1 -32 27 12 o 13.55978 6.399672 -0.2533254     22.19058 22.68498       31.02157 -24.29024      31.75575 16.98781 7.867770 13.14726 6.518834 3.840551       10.21749 
1 1 1 -32 27 13 o 14.74996 6.893664 7.551331       24.67857 14.31437       30.33347 -5.689000      42.44246 15.92783 7.506588 15.25390 7.558620 0.6739292      10.65277 
1 1 1 -32 28 1  o 16.40662 7.457664 19.04321       26.15015 -16.65572      31.66551 95.60000       46.37146 13.58965 6.695681 23.29612 10.30676 -9.706472      12.29070 
1 1 1 -32 28 2  o 16.15241 7.448086 16.79753       27.35801 31.92000       34.53575 -8.680000      44.82665 17.91291 8.298046 15.35036 7.633835 2.562549       11.27533 
1 1 1 -32 28 3  o 15.47761 7.045737 13.41480       23.44871 21.94000       34.29000 5.926298       32.13754 16.89746 7.968945 15.33918 7.366724 1.558284       10.85231 
1 1 1 -32 28 4  o 21.00917 8.079116 42.49498       23.38954 -17.32001      32.29911 108.4473       33.91569 13.63105 6.724866 31.68984 9.874022 -18.05880      11.94655 
1 1 1 -32 28 5  o 17.28001 7.872795 25.49035       29.35415 51.15000       63.28762 18.45712       33.13377 18.35235 9.117309 16.53894 7.810053 1.813416       12.00509 
1 1 1 -32 28 6  o 16.27928 7.561069 17.28052       28.96032 -5.453000      63.31461 23.29515       32.56679 16.33765 8.252810 17.02352 7.944018 -0.6858635     11.45497 
1 1 1 -32 28 7  o 20.13979 8.633265 46.57219       30.42572 -113.9000      64.64408 92.23679       34.48409 13.76206 7.066928 27.34111 9.950227 -13.57905      12.20444 
1 1 1 -32 28 8  o 16.20089 7.406514 18.67571       26.26921 -0.6835580     31.45862 63.27000       47.74577 14.59470 7.077335 19.58550 9.286179 -4.990802      11.67569 
1 1 1 -32 28 9  o 11.69993 5.801861 -26.11589      25.18162 -29.32847      30.23406 -18.84000      45.50018 12.44740 6.203011 14.71713 7.375239 -2.269735      9.636987 
1 1 1 -31 0  1  o 14.72067 8.692653 16.65130       21.46723 16.65130       21.46723 16.65130       21.46723 14.72067 8.692653 14.72067 8.692653 0.000000       0.000000 
1 1 1 -31 0  2  o 25.80935 9.774859 49.73050       23.16856 49.73050       23.16856 49.73050       23.16856 25.80935 9.774859 25.80935 9.774859 0.000000       0.000000 
1 1 1 -31 0  3  o 17.23641 9.343756 25.61707       22.10935 25.61707       22.10935 25.61707       22.10935 17.23641 9.343756 17.23641 9.343756 0.000000       0.000000 
1 1 1 -31 0  4  o 29.72503 9.485658 60.84165       24.30894 60.84165       24.30894 60.84165       24.30894 29.72503 9.485658 29.72503 9.485658 0.000000       0.000000 
1 1 1 -31 0  5  f 21.08973 9.920869 37.47746       23.03440 37.47746       23.03440 37.47746       23.03440 21.08973 9.920869 21.08973 9.920869 0.000000       0.000000 
1 1 1 -31 0  6  o 14.99473 9.055920 16.73962       24.32206 16.73962       24.32206 16.73962       24.32206 14.99473 9.055920 14.99473 9.055920 0.000000       0.000000 
1 1 1 -31 0  7  o 47.39076 6.575214 125.0200       28.82598 125.0200       28.82598 125.0200       28.82598 47.39076 6.575214 47.39076 6.575214 0.000000       0.000000 
1 1 1 -31 0  8  f 62.36274 5.470887 206.3644       32.77846 206.3644       32.77846 206.3644       32.77846 62.36274 5.470887 62.36274 5.470887 0.000000       0.000000 
1 1 1 -31 0  9  o 20.97715 12.71050 45.34000       48.24142 45.34000       48.24142 45.34000       48.24142 20.97715 12.71050 20.97715 12.71050 0.000000       0.000000 
1 1 1 -31 0  10 o 19.99178 12.32299 39.29000       47.11344 39.29000       47.11344 39.29000       47.11344 19.99178 12.32299 19.99178 12.32299 0.000000       0.000000 
1 1 1 -31 0  11 o 19.57869 12.18163 36.60000       47.10114 36.60000       47.10114 36.60000       47.10114 19.57869 12.18163 19.57869 12.18163 0.000000       0.000000 
1 1 1 -31 0  12 o 27.11499 14.21970 80.16000       49.75573 80.16000       49.75573 80.16000       49.75573 27.11499 14.21970 27.11499 14.21970 0.000000       0.000000 
1 1 1 -31 0  13 o 38.07076 15.06460 131.3000       54.04600 131.3000       54.04600 131.3000       54.04600 38.07076 15.06460 38.07076 15.06460 0.000000       0.000000 
1 1 1 -31 0  14 o 20.12294 12.60495 41.28000       51.31757 41.28000       51.31757 41.28000       51.31757 20.12294 12.60495 20.12294 12.60495 0.000000       0.000000 
1 1 1 -31 0  15 o 9.229737 6.535093 -24.42049      24.39431 -24.42049      24.39431 -24.42049      24.39431 9.229737 6.535093 9.229737 6.535093 0.000000       0.000000 
1 1 1 -31 0  16 o 11.62872 7.780247 -1.913941      24.50644 -1.913941      24.50644 -1.913941      24.50644 11.62872 7.780247 11.62872 7.780247 0.000000       0.000000 
1 1 1 -31 0  17 o 9.464920 6.643482 -18.97293      23.51885 -18.97293      23.51885 -18.97293      23.51885 9.464920 6.643482 9.464920 6.643482 0.000000       0.000000 
1 1 1 -31 0  18 o 10.63019 7.290765 -9.416435      24.36867 -9.416435      24.36867 -9.416435      24.36867 10.63019 7.290765 10.63019 7.290765 0.000000       0.000000 
1 1 1 -31 0  19 o 17.61065 10.28793 29.02000       29.52186 29.02000       29.52186 29.02000       29.52186 17.61065 10.28793 17.61065 10.28793 0.000000       0.000000 
1 1 1 -31 0  20 o 28.62392 12.19073 72.54000       34.72470 72.54000       34.72470 72.54000       34.72470 28.62392 12.19073 28.62392 12.19073 0.000000       0.000000 
1 1 1 -31 0  21 o 16.17912 10.28584 20.36000       35.61367 20.36000       35.61367 20.36000       35.61367 16.17912 10.28584 16.17912 10.28584 0.000000       0.000000 
1 1 1 -31 0  22 o 15.59656 10.59661 5.179000       48.92400 5.179000       48.92400 5.179000       48.92400 15.59656 10.59661 15.59656 10.59661 0.000000       0.000000 
1 1 1 -31 0  23 o 13.99470 9.029621 10.82807       28.73753 10.82807       28.73753 10.82807       28.73753 13.99470 9.029621 13.99470 9.029621 0.000000       0.000000 
1 1 1 -31 0  24 o 17.38060 10.21347 29.33497       29.38539 29.33497       29.38539 29.33497       29.38539 17.38060 10.21347 17.38060 10.21347 0.000000       0.000000 
1 1 1 -31 0  25 o 13.33781 8.769002 7.115037       28.96805 7.115037       28.96805 7.115037       28.96805 13.33781 8.769002 13.33781 8.769002 0.000000       0.000000 
1 1 1 -31 0  26 o 19.26886 10.72968 38.36027       30.01460 38.36027       30.01460 38.36027       30.01460 19.26886 10.72968 19.26886 10.72968 -0.000000      0.000000 
1 1 1 -31 0  27 o 11.10776 7.676295 -10.31099      28.25294 -10.31099      28.25294 -10.31099      28.25294 11.10776 7.676295 11.10776 7.676295 0.000000       0.000000 
1 1 1 -31 0  28 o 14.86036 9.394955 17.50906       29.23822 17.50906       29.23822 17.50906       29.23822 14.86036 9.394955 14.86036 9.394955 -0.000000      0.000000 
1 1 1 -31 0  29 o 12.93384 8.642782 3.477704       30.07702 3.477704       30.07702 3.477704       30.07702 12.93384 8.642782 12.93384 8.642782 0.000000       0.000000 
1 1 1 -31 0  30 o 13.83627 9.081623 10.11601       30.87533 10.11601       30.87533 10.11601       30.87533 13.83627 9.081623 13.83627 9.081623 0.000000       0.000000 
1 1 1 -31 0  31 o 31.38805 11.67322 82.80711       33.33326 82.80711       33.33326 82.80711       33.33326 31.38805 11.67322 31.38805 11.67322 0.000000       0.000000 
1 1 1 -31 0  32 o 13.17719 8.814772 4.792953       31.43334 4.792953       31.43334 4.792953       31.43334 13.17719 8.814772 13.17719 8.814772 -0.000000      0.000000 
1 1 1 -31 0  33 o 8.347553 6.093982 -56.94723      30.04716 -56.94723      30.04716 -56.94723      30.04716 8.347553 6.093982 8.347553 6.093982 -0.000000      0.000000 
1 1 1 -31 0  34 o 17.45653 10.47787 32.26839       32.15741 32.26839       32.15741 32.26839       32.15741 17.45653 10.47787 17.45653 10.47787 0.000000       0.000000 
1 1 1 -31 0  35 o 9.890196 7.062554 -30.17034      30.78175 -30.17034      30.78175 -30.17034      30.78175 9.890196 7.062554 9.890196 7.062554 -0.000000      0.000000 
1 1 1 -31 0  36 f 10.18785 7.252067 -27.54848      31.49370 -27.54848      31.49370 -27.54848      31.49370 10.18785 7.252067 10.18785 7.252067 0.000000       0.000000 
1 1 1 -31 0  37 o 16.28223 10.92964 23.36000       49.08558 23.36000       49.08558 23.36000       49.08558 16.28223 10.92964 16.28223 10.92964 -0.000000      0.000000 
1 1 1 -31 0  38 o 13.04571 9.242682 -18.91000      49.05301 -18.91000      49.05301 -18.91000      49.05301 13.04571 9.242682 13.04571 9.242682 -0.000000      0.000000 
1 1 1 -31 0  39 o 10.81141 7.660454 -21.67469      33.72383 -21.67469      33.72383 -21.67469      33.72383 10.81141 7.660454 10.81141 7.660454 -0.000000      0.000000 
1 1 1 -31 0  40 o 15.86550 10.61461 26.13000       45.60900 26.13000       45.60900 26.13000       45.60900 15.86550 10.61461 15.86550 10.61461 0.000000       0.000000 
1 1 1 -31 1  1  o 28.07985 6.084487 45.62165       16.23941 49.74528       23.41663 41.80086       22.54041 27.72437 8.113924 25.46597 8.065794 2.258400       11.44084 
1 1 1 -31 1  2  o 32.39986 5.474446 58.67899       16.74369 73.48518       24.21267 45.10950       23.17943 34.70133 7.356979 26.36353 8.154548 8.337799       10.98280 
1 1 1 -31 1  3  o 28.45682 6.117640 46.90920       16.53314 51.26309       23.95609 42.94941       22.84616 28.06451 8.205015 25.76126 8.115290 2.303242       11.54037 
1 1 1 -31 1  4  o 19.52823 6.791171 21.93343       15.89336 20.42526       23.14878 23.27832       21.85979 19.78067 7.906573 20.32330 7.811716 -0.5426292     11.11471 
1 1 1 -31 1  5  o 19.17083 6.924535 20.70883       16.65927 26.30092       23.73776 15.28138       23.38572 21.18749 8.141265 18.70460 7.766762 2.482893       11.25179 
1 1 1 -31 1  6  o 18.72060 6.891138 19.30874       16.61220 26.87386       23.61395 11.89640       23.37429 21.29804 8.135964 18.01727 7.639964 3.280764       11.16078 
1 1 1 -31 1  7  o 30.35407 6.342244 53.94801       18.23542 97.89124       26.63567 15.18077       25.01786 40.51347 6.967918 18.90826 7.954927 21.60521       10.57510 
1 1 1 -31 1  8  o 37.60439 6.689798 83.53353       23.72141 95.08961       27.20505 46.88000       48.45092 39.54802 7.296533 25.32511 10.87591 14.22290       13.09675 
1 1 1 -31 1  9  o 24.85078 8.059176 40.18693       22.40635 16.60874       25.24802 127.6000       48.61388 19.16350 8.022256 39.16663 11.74943 -20.00313      14.22693 
1 1 1 -31 1  10 o 28.64005 9.930988 61.72160       33.97506 81.92000       47.58637 40.72000       48.52330 30.41145 11.56586 24.38463 10.67404 6.026825       15.73863 
1 1 1 -31 1  11 o 17.08141 7.960385 -7.256194      32.52609 5.198000       44.46530 -21.59000      47.70283 20.26752 9.398127 18.55470 8.927491 1.712822       12.96244 
1 1 1 -31 1  12 o 23.14080 9.474022 35.02084       34.14866 7.319000       46.45744 67.58000       50.36601 20.65635 9.588043 27.73194 11.44572 -7.075584      14.93101 
1 1 1 -31 1  13 o 16.78152 7.921598 -12.73564      34.02748 11.92000       47.66970 -38.35000      48.58768 21.14440 9.778897 17.54659 8.572537 3.597811       13.00443 
1 1 1 -31 1  14 o 20.37870 8.979391 17.87704       34.85677 59.31000       49.08568 -24.27000      49.50686 26.39707 11.12620 18.48055 8.941766 7.916521       14.27402 
1 1 1 -31 1  15 o 13.25656 6.267600 -14.56130      21.45859 -28.01000      46.99515 -11.01869      24.11985 17.85337 8.655816 14.50091 6.789571 3.352459       11.00097 
1 1 1 -31 1  16 o 14.32850 6.332329 1.441153       17.45762 -3.334712      24.93490 6.033024       24.44986 15.67724 7.185436 16.94652 7.491416 -1.269274      10.38036 
1 1 1 -31 1  17 o 15.02453 6.516139 4.696603       17.73061 -32.22475      25.41574 39.70160       24.74736 12.73270 6.216214 24.08423 8.467289 -11.35152      10.50411 
1 1 1 -31 1  18 o 15.77980 6.795533 6.935936       19.01569 33.46000       29.43357 -12.06600      24.91276 22.36170 8.923101 14.50703 6.826422 7.854674       11.23485 
1 1 1 -31 1  19 o 13.28333 6.251480 -11.92588      20.90609 -7.276000      28.84680 -17.07000      30.34114 15.96336 7.458267 15.30200 7.296963 0.6613626      10.43415 
1 1 1 -31 1  20 o 38.34475 7.116510 91.43813       25.72717 73.80000       35.74308 110.4000       37.06007 30.03375 10.19349 38.36625 9.826266 -8.332502      14.15849 
1 1 1 -31 1  21 o 19.00488 8.236864 16.85839       28.29247 37.78000       49.24812 6.552000       34.56571 22.90859 10.34133 18.43303 8.452800 4.475563       13.35638 
1 1 1 -31 1  22 f 13.44425 6.440741 -18.79676      24.22892 6.531000       33.92989 -45.15000      34.60996 18.29114 8.382876 14.04771 6.936201 4.243427       10.88042 
1 1 1 -31 1  23 o 23.17982 8.599546 38.76005       25.95854 37.14701       30.08508 43.46000       51.35412 22.58523 9.018308 23.25040 10.52168 -0.6651669     13.85769 
1 1 1 -31 1  24 o 19.20590 7.583419 22.51345       21.04682 6.391178       29.76900 38.62642       29.76041 17.44966 7.941603 22.70060 9.000425 -5.250940      12.00320 
1 1 1 -31 1  25 o 12.74864 6.044491 -12.66555      20.22784 -29.11278      28.88932 3.152985       28.33180 13.59923 6.636672 16.67163 7.647909 -3.072406      10.12600 
1 1 1 -31 1  26 o 24.89302 7.838417 43.73940       21.31602 65.41396       30.44041 22.88515       29.85882 28.33486 9.404906 19.59882 8.478079 8.736040       12.66215 
1 1 1 -31 1  27 o 26.77702 7.820184 50.54470       21.77186 27.60292       30.58270 74.11942       31.00170 20.27410 8.672383 30.16944 9.446378 -9.895342      12.82358 
1 1 1 -31 1  28 o 13.39572 6.282948 -8.215180      20.80626 -8.870463      28.63461 -7.482255      30.28355 15.22524 7.210764 15.68945 7.426133 -0.4642096     10.35097 
1 1 1 -31 1  29 o 32.18783 7.437491 69.30983       22.96212 92.86326       31.47383 42.50735       33.57454 34.88638 9.117267 22.71662 9.357281 12.16976       13.06458 
1 1 1 -31 1  30 f 16.33043 7.157078 9.899663       21.87416 -10.19433      29.68461 33.77507       32.35740 15.23206 7.250677 21.10784 8.971231 -5.875782      11.53496 
1 1 1 -31 1  31 o 25.58499 7.989894 47.73033       22.19387 43.36792       30.12328 52.91007       32.82410 22.95495 9.069702 24.50536 9.530859 -1.550413      13.15662 
1 1 1 -31 1  32 o 18.63311 7.572399 21.90594       21.62132 31.64505       29.74122 10.98937       31.48779 20.66748 8.682925 17.74615 8.111415 2.921329       11.88227 
1 1 1 -31 1  33 f 12.33322 5.942415 -18.02612      21.31106 4.523988       29.63783 -42.16669      30.66521 16.71099 7.722217 12.92455 6.407975 3.786431       10.03468 
1 1 1 -31 1  34 o 32.60622 7.470189 72.39227       23.32902 73.24928       33.34315 71.57041       32.65213 28.53699 9.840945 28.38016 9.740280 0.1568298      13.84620 
1 1 1 -31 1  35 o 23.22978 8.133932 41.31570       22.82174 23.79340       32.31180 58.75801       32.23796 19.26316 8.558641 25.34915 9.546930 -6.085981      12.82163 
1 1 1 -31 1  36 o 17.52369 7.539064 16.71773       23.36020 25.70751       32.56131 7.183551       33.53274 19.50404 8.632503 17.33253 8.079156 2.171509       11.82340 
1 1 1 -31 1  37 o 19.85442 8.381958 29.34900       27.93042 28.02502       33.79916 32.20000       49.59805 19.68003 8.748077 20.32773 9.585878 -0.6477013     12.97759 
1 1 1 -31 1  38 o 13.46746 6.548868 -20.60750      27.43697 -56.10000      49.02509 -4.421180      33.10733 15.08655 7.573710 15.88753 7.588899 -0.8009853     10.72159 
1 1 1 -31 1  39 o 14.81883 7.197184 -14.90979      32.86695 0.000000       0.000000 -14.90979      32.86695 ?        ?        14.81883 7.197184 ?              ?        
1 1 1 -31 1  40 o 13.91041 6.820596 -22.33032      31.60060 -17.53000      44.57614 -27.18000      44.80472 15.95972 7.878686 15.48335 7.688493 0.4763689      11.00848 
1 1 1 -31 2  1  o 40.05893 4.567765 86.06857       17.59091 87.29147       25.34003 84.93109       24.43903 38.22415 7.031754 37.87136 6.844611 0.3527870      9.812964 
1 1 1 -31 2  2  o 50.22176 3.993267 132.2008       19.46876 99.03765       27.64718 164.8215       27.42018 40.55938 7.229039 54.93364 5.159891 -14.37427      8.881637 
1 1 1 -31 2  3  o 52.60724 3.901177 144.5791       19.94554 153.9454       28.95225 136.1184       27.51694 52.45507 5.732014 49.20493 5.826190 3.250141       8.173156 
1 1 1 -31 2  4  o 57.10390 3.773623 169.5887       20.97438 168.0272       30.32487 171.0208       29.04125 54.80008 5.738413 55.68619 5.395494 -0.8861160     7.876594 
1 1 1 -31 2  5  o 15.03012 6.336832 6.234620       15.92927 -35.46399      23.26966 43.00685       21.85190 11.92662 5.848922 25.89634 7.900754 -13.96972      9.830148 
1 1 1 -31 2  6  o 17.29965 6.778904 14.40821       16.70656 12.04378       24.03009 16.62027       23.24286 18.15667 7.724545 18.92722 7.789842 -0.7705421     10.97042 
1 1 1 -31 2  7  o 19.70067 7.706490 21.13768       21.56046 26.64304       24.59848 2.888000       44.78606 21.25126 8.254754 20.24646 9.403338 1.004801       12.51254 
1 1 1 -31 2  8  o 20.73184 7.785234 25.35730       21.40392 30.70160       24.06187 5.097000       46.84971 22.17972 8.269623 20.66892 9.605684 1.510801       12.67501 
1 1 1 -31 2  9  o 33.16806 7.472909 68.38393       23.67766 87.65212       26.99133 4.046000       49.32161 37.55964 7.602894 20.80624 9.731166 16.75340       12.34907 
1 1 1 -31 2  10 o 18.65357 7.647179 16.55488       22.28649 10.47809       24.95470 40.50000       49.53633 17.93588 7.754671 24.35577 10.71916 -6.419893      13.23009 
1 1 1 -31 2  11 o 30.78921 10.14517 72.40567       35.44059 67.71000       47.81591 78.13000       52.79416 28.02820 11.30781 29.08434 11.82792 -1.056145      16.36356 
1 1 1 -31 2  12 o 20.67934 8.989141 19.88111       33.90196 9.275000       46.84021 31.55000       49.13100 20.86038 9.663592 23.26015 10.42873 -2.399769      14.21772 
1 1 1 -31 2  13 o 19.89842 8.795504 14.91252       33.69535 35.96000       47.19721 -6.967000      48.12106 23.59121 10.41951 19.57927 9.294660 4.011948       13.96270 
1 1 1 -31 2  14 o 15.01707 6.798145 -1.658206      21.46021 24.86000       45.39819 -9.288978      24.35290 22.14683 9.969253 14.78156 6.888399 7.365268       12.11759 
1 1 1 -31 2  15 o 33.30513 8.265028 73.44149       26.81600 47.10000       48.34154 85.15000       32.22932 24.79693 10.75690 34.60713 9.311413 -9.810202      14.22720 
1 1 1 -31 2  16 o 14.38357 6.638941 -6.492653      21.81310 -41.51000      48.66706 2.310587       24.40140 17.25179 8.460055 16.34821 7.338088 0.9035797      11.19911 
1 1 1 -31 2  17 o 46.68184 5.250543 121.5712       23.57603 129.1000       37.15599 116.4972       30.50291 43.34224 9.050691 43.15420 7.492913 0.1880455      11.74984 
1 1 1 -31 2  18 o 31.99674 7.643613 66.07700       23.61026 53.65000       32.48063 80.00000       34.38017 26.39591 9.649075 32.16721 9.928039 -5.771292      13.84451 
1 1 1 -31 2  19 o 25.89561 9.031164 49.40026       28.11758 0.000000       0.000000 49.40026       28.11758 ?        ?        25.89561 9.031164 ?              ?        
1 1 1 -31 2  20 o 15.71317 6.878785 5.594729       20.15549 -0.7791284     26.30355 14.66000       31.36921 16.15075 7.394051 19.13803 8.471632 -2.987272      11.24458 
1 1 1 -31 2  21 o 18.31174 7.476814 17.74016       21.19783 9.890006       26.98112 30.40000       34.26377 17.71304 7.848015 21.57681 9.203159 -3.863770      12.09502 
1 1 1 -31 2  22 o 12.54074 6.012988 -18.55714      21.21673 -20.24456      26.77571 -15.71000      34.78046 14.00622 6.725942 16.21789 7.755297 -2.211664      10.26562 
1 1 1 -31 2  23 o 24.88007 7.814001 42.42953       21.19678 50.66890       29.54573 33.69117       30.42726 25.52517 9.221416 21.88335 8.949165 3.641821       12.84998 
1 1 1 -31 2  24 o 21.81752 7.819242 32.57729       21.19446 13.60208       29.12439 53.93876       30.90147 18.32748 8.135206 25.82976 9.416318 -7.502279      12.44382 
1 1 1 -31 2  25 o 48.53027 5.280712 135.0251       24.68079 130.4651       34.15060 140.0107       35.70938 43.38463 8.344815 44.80742 8.451740 -1.422794      11.87720 
1 1 1 -31 2  26 o 29.24197 7.673265 58.48842       22.23444 97.21220       31.78015 21.35966       31.11876 36.10941 9.018767 19.44211 8.528225 16.66730       12.41245 
1 1 1 -31 2  27 o 30.56828 7.636701 63.83755       22.78215 85.57253       31.55275 40.16526       32.92895 32.91123 9.354532 22.34696 9.241984 10.56427       13.14996 
1 1 1 -31 2  28 o 19.01056 7.666385 22.78290       21.96803 14.09188       29.74706 33.20872       32.58095 18.14345 8.126215 21.15962 8.998033 -3.016169      12.12435 
1 1 1 -31 2  29 o 14.93349 6.748282 2.100060       21.03533 -2.788499      27.78424 8.665332       32.19840 15.72341 7.337404 17.75837 8.148905 -2.034954      10.96550 
1 1 1 -31 2  30 o 15.77001 6.998407 7.048723       21.54130 11.99651       28.73878 0.7044922      32.54259 17.62724 7.933596 16.80189 7.873206 0.8253479      11.17718 
1 1 1 -31 2  31 o 17.79509 7.427588 17.78063       21.54891 5.505382       29.01770 32.87334       32.17594 16.81738 7.724057 20.94681 8.925897 -4.129429      11.80393 
1 1 1 -31 2  32 o 24.89562 7.963010 45.51751       21.92535 36.63969       29.90764 55.83243       32.23754 21.55819 8.850636 25.06981 9.523052 -3.511629      13.00086 
1 1 1 -31 2  33 o 18.75598 7.632827 22.50314       22.00350 14.68641       30.63551 30.83206       31.62328 18.09516 8.163507 20.48686 8.792139 -2.391703      11.99769 
1 1 1 -31 2  34 o 24.53119 8.085309 45.06228       22.50945 32.87903       30.98070 58.68526       32.76013 20.78475 8.803775 25.45587 9.615829 -4.671127      13.03728 
1 1 1 -31 2  35 o 25.12117 8.177329 48.18940       23.05628 80.88937       31.94861 12.65008       33.30679 30.63693 9.589087 17.92898 8.249455 12.70795       12.64927 
1 1 1 -31 2  36 o 21.01481 8.517477 34.50732       27.27017 28.90209       32.34686 48.28000       50.70429 19.95676 8.725914 21.93110 10.12236 -1.974340      13.36427 
1 1 1 -31 2  37 o 13.01717 6.251099 -14.92302      23.13087 -19.80996      32.38984 -9.836709      33.04396 14.61698 7.109580 15.52585 7.459881 -0.9088631     10.30514 
1 1 1 -31 2  38 o 32.04232 8.896442 83.09834       28.89111 43.40000       50.04487 102.9427       35.38282 20.93064 9.793545 33.60384 10.01043 -12.67320      14.00436 
1 1 1 -31 2  39 o 24.13612 9.623986 60.20339       34.21367 0.000000       0.000000 60.20339       34.21367 ?        ?        24.13612 9.623986 ?              ?        
1 1 1 -31 2  40 o 13.71870 6.519236 -6.941908      23.79409 -31.79460      34.05375 16.76592       33.26014 13.73245 6.798632 17.57290 8.141520 -3.840453      10.60687 
1 1 1 -31 3  1  o 33.52190 5.408245 62.61483       17.14182 20.40892       24.88797 100.7077       23.64422 19.97535 8.121936 42.20878 5.882494 -22.23343      10.02844 
1 1 1 -31 3  2  o 55.16806 3.869457 158.8131       20.76257 147.6289       30.00126 169.0934       28.76328 50.88534 6.147859 55.39198 5.372381 -4.506634      8.164474 
1 1 1 -31 3  3  o 52.90906 3.945363 146.4969       20.28549 121.6142       29.07807 170.0880       28.31325 45.53614 6.726007 55.67946 5.257279 -10.14332      8.536870 
1 1 1 -31 3  4  o 33.11779 5.679533 61.91371       17.74868 50.21463       26.11312 71.95895       24.19708 27.29847 8.685746 34.20083 7.440165 -6.902365      11.43671 
1 1 1 -31 3  5  o 27.66028 6.555828 45.51084       17.47695 20.81778       25.36788 67.81979       24.11217 20.07885 8.186454 32.97067 7.623638 -12.89182      11.18650 
1 1 1 -31 3  6  o 34.47133 6.996798 71.51859       22.80074 66.37984       26.25996 87.26000       45.96072 31.84871 8.330141 31.96175 11.50718 -0.1130409     14.20586 
1 1 1 -31 3  7  o 31.73433 7.620454 63.18682       23.37204 78.02547       26.86185 16.95000       47.41686 34.97967 8.017264 21.86390 9.978421 13.11577       12.80021 
1 1 1 -31 3  8  o 20.35681 7.808070 23.86273       21.80771 28.15725       24.66171 8.463000       46.70057 21.55968 8.294600 20.93233 9.680175 0.6273518      12.74779 
1 1 1 -31 3  9  o 24.89474 8.017687 40.43418       22.20020 39.61103       24.78841 43.77000       49.90101 24.38112 8.481128 24.77921 10.83617 -0.3980980     13.76053 
1 1 1 -31 3  10 o 22.94732 8.218050 34.01640       23.40693 44.97862       26.35629 -6.905000      50.92257 25.61972 8.752210 20.04634 9.529315 5.573383       12.93866 
1 1 1 -31 3  11 o 22.13063 9.265601 29.13189       33.68756 52.49000       45.26755 0.1392000      50.43272 25.86713 10.77866 20.50280 9.667751 5.364336       14.47912 
1 1 1 -31 3  12 o 21.45873 9.144512 25.24607       33.77445 6.327000       45.53233 48.39000       50.36032 20.41846 9.482584 25.16217 10.94667 -4.743711      14.48271 
1 1 1 -31 3  13 o 22.39487 8.034863 32.25206       22.38608 46.09000       46.51855 28.08166       25.53755 24.77291 10.64806 21.38892 8.381220 3.383986       13.55087 
1 1 1 -31 3  14 o 31.07108 7.792998 62.26383       23.65659 2.028000       47.61213 82.00869       27.25946 20.16390 9.472276 35.60922 8.014764 -15.44533      12.40808 
1 1 1 -31 3  15 o 37.91645 6.946395 87.24376       24.83086 42.20000       49.45030 102.4304       28.71324 24.18072 10.67323 40.49047 7.521563 -16.30975      13.05725 
1 1 1 -31 3  16 o 18.32545 7.963457 12.16096       26.58961 0.000000       0.000000 12.16096       26.58961 ?        ?        18.32545 7.963457 ?              ?        
1 1 1 -31 3  17 o 10.86474 5.355840 -34.32355      20.34806 -32.29000      28.49330 -36.44000      29.06833 13.60123 6.627343 13.43958 6.579714 0.1616440      9.338861 
1 1 1 -31 3  18 o 27.75086 9.049244 56.35514       28.22881 0.000000       0.000000 56.35514       28.22881 ?        ?        27.75086 9.049244 ?              ?        
1 1 1 -31 3  19 f 12.19531 5.770993 -13.30272      18.26928 -19.96259      25.48013 -6.256608      26.20860 13.76712 6.597955 15.45670 7.183745 -1.689573      9.753933 
1 1 1 -31 3  20 o 22.07045 7.517056 31.78151       19.43961 36.59232       26.73919 26.38823       28.31166 22.86006 8.675483 20.74180 8.573041 2.118261       12.19676 
1 1 1 -31 3  21 f 12.23874 5.862067 -17.76927      20.04910 -9.948835      25.73283 -29.85000      31.98295 14.80585 6.957907 14.49144 7.052198 0.3144083      9.906865 
1 1 1 -31 3  22 o 28.07828 7.896324 53.50726       22.60504 51.16179       28.72858 57.32000       36.62831 25.93282 9.122516 26.06003 10.08663 -0.1272087     13.60001 
1 1 1 -31 3  23 o 25.26680 8.106185 44.95896       22.70819 38.87475       28.61913 55.30000       37.31097 22.91869 8.903463 25.33665 10.06735 -2.417965      13.43961 
1 1 1 -31 3  24 o 23.03740 7.777016 36.72367       20.80378 20.22568       28.32852 56.03701       30.65046 19.23977 8.290008 26.30914 9.406127 -7.069366      12.53792 
1 1 1 -31 3  25 o 25.45028 8.212402 47.17759       23.28423 42.78000       34.72181 50.77121       31.38778 22.89800 9.481951 24.74605 9.397491 -1.848049      13.34991 
1 1 1 -31 3  26 o 18.09331 7.742432 16.81412       24.39211 19.11841       28.46755 10.45000       47.30972 18.88196 8.222165 19.51485 9.250041 -0.6328888     12.37608 
1 1 1 -31 3  27 o 21.20227 7.845259 31.63617       21.57882 27.23594       29.57491 36.64545       31.55539 20.14987 8.570920 21.76531 9.028450 -1.615444      12.44884 
1 1 1 -31 3  28 o 12.07228 5.841564 -20.85965      21.13861 -23.10281      28.14353 -17.95615      32.01907 13.79738 6.691483 15.07173 7.267411 -1.274355      9.878826 
1 1 1 -31 3  29 o 22.60540 8.012139 37.04663       22.19343 29.26248       29.81021 46.72617       33.24197 20.50217 8.657631 23.47318 9.443031 -2.971001      12.81114 
1 1 1 -31 3  30 o 19.62524 7.722903 25.94091       21.76270 30.50565       29.17946 20.21886       32.66964 20.54802 8.614559 19.09511 8.536893 1.452906       12.12803 
1 1 1 -31 3  31 o 24.76901 8.038952 45.22091       22.29154 68.57281       30.23308 17.40237       32.99807 28.68731 9.365672 18.74003 8.461775 9.947277       12.62210 
1 1 1 -31 3  32 o 17.56409 7.394540 16.92477       21.64096 -0.3745179     29.60159 36.78584       31.71774 16.15867 7.551384 21.49524 8.994480 -5.336573      11.74411 
1 1 1 -31 3  33 o 22.71873 8.008959 38.37222       22.15171 44.17838       30.71612 32.07984       31.97637 22.88236 9.120550 20.67368 8.856090 2.208679       12.71278 
1 1 1 -31 3  34 o 30.05793 7.724337 63.52015       22.84791 58.28496       31.70425 69.17680       32.95571 25.58113 9.501224 27.67602 9.767658 -2.094889      13.62646 
1 1 1 -31 3  35 o 17.17868 7.681322 12.52768       26.46058 23.24107       31.33305 -14.11000      49.40687 19.12148 8.465408 17.40704 8.533703 1.714445       12.02028 
1 1 1 -31 3  36 o 27.23408 8.952992 61.27684       27.60654 68.63825       33.11989 44.52000       49.96943 27.20105 9.771436 21.59947 9.997306 5.601578       13.97952 
1 1 1 -31 3  37 o 15.08242 6.924432 2.340022       23.28862 -40.99157      31.40265 55.29877       34.71626 12.97542 6.442039 23.78855 9.621614 -10.81314      11.57909 
1 1 1 -31 3  38 f 25.18684 8.824493 54.62344       26.86387 79.98000       43.39408 38.86716       34.20678 25.74507 10.62470 20.90464 9.058610 4.840425       13.96219 
1 1 1 -31 3  39 o 19.72139 8.397779 31.58748       28.44580 -9.062000      51.06682 49.87450       34.25175 17.15593 8.462352 22.27024 9.334730 -5.114302      12.59955 
1 1 1 -31 3  40 f 16.72444 7.626170 13.10579       27.61873 41.37000       49.69527 0.4742873      33.22187 20.03687 9.492456 15.96247 7.618450 4.074403       12.17159 
1 1 1 -31 4  1  o 28.08607 6.274166 46.20184       16.81299 29.50748       24.84895 60.29741       22.83307 21.96400 8.356688 31.06327 7.577954 -9.099270      11.28094 
1 1 1 -31 4  2  o 29.67125 6.125670 51.03390       17.20104 30.94713       25.41882 68.00275       23.36290 22.31958 8.461300 33.26380 7.369570 -10.94421      11.22070 
1 1 1 -31 4  3  o 50.36681 4.073071 133.4906       19.90925 140.4925       29.38458 127.5485       27.06954 49.52677 6.196643 47.42024 5.963480 2.106533       8.600085 
1 1 1 -31 4  4  o 31.90122 5.932331 58.29264       17.84255 52.30110       25.62859 63.92817       24.85552 27.92283 8.563473 31.54689 8.030020 -3.624060      11.73943 
1 1 1 -31 4  5  o 23.82614 8.064347 36.55781       22.36984 40.21299       25.99966 26.14000       43.89368 24.55128 8.674809 22.59427 10.01036 1.957010       13.24612 
1 1 1 -31 4  6  o 29.70609 7.722507 56.01401       22.65982 60.95795       26.13423 41.04000       45.48230 30.25915 8.483535 24.50573 10.53094 5.753426       13.52299 
1 1 1 -31 4  7  o 39.56232 6.408549 91.20731       23.96867 96.67712       27.54491 74.15000       48.64193 39.79576 7.341696 29.12783 11.51999 10.66793       13.66055 
1 1 1 -31 4  8  o 21.75794 7.983068 29.38272       22.26436 35.62322       24.98624 5.330000       49.05388 23.33471 8.473098 20.84278 9.733987 2.491930       12.90519 
1 1 1 -31 4  9  o 33.17883 7.449893 68.56647       23.60065 69.93226       26.85928 63.94000       49.43419 32.51268 8.385285 27.34455 11.31768 5.168127       14.08556 
1 1 1 -31 4  10 o 17.55813 7.467484 11.11874       22.44475 12.80426       25.18658 4.617000       49.46717 18.37674 7.865701 20.77394 9.725606 -2.397200      12.50826 
1 1 1 -31 4  11 o 19.77829 8.736242 14.22794       33.18669 -14.32000      44.73159 49.18000       49.49524 18.57720 8.859123 25.28551 10.92672 -6.708311      14.06688 
1 1 1 -31 4  12 o 22.84372 8.075308 33.81539       22.53240 -26.67000      44.97006 54.09074       26.03649 17.67822 8.545954 28.05966 8.636107 -10.38145      12.14972 
1 1 1 -31 4  13 o 12.62129 6.035132 -18.92107      21.05708 4.548000       44.59560 -25.65488      23.88770 20.02331 9.327923 12.87427 6.224833 7.149038       11.21422 
1 1 1 -31 4  14 o 17.03309 7.369488 8.720216       22.56860 28.77000       46.69353 2.608584       25.77985 22.62804 10.15435 16.73358 7.524196 5.894457       12.63821 
1 1 1 -31 4  15 o 25.20959 8.957159 45.03639       27.75258 0.000000       0.000000 45.03639       27.75258 ?        ?        25.20959 8.957159 ?              ?        
1 1 1 -31 4  16 o 13.61083 6.628101 -31.95000      28.38284 0.000000       0.000000 -31.95000      28.38284 ?        ?        13.61083 6.628101 ?              ?        
1 1 1 -31 4  17 o 15.56789 7.202669 -5.412123      25.89841 0.000000       0.000000 -5.412123      25.89841 ?        ?        15.56789 7.202669 ?              ?        
1 1 1 -31 4  18 o 19.23510 7.447793 21.55697       19.97567 24.64000       29.22840 18.85482       27.36346 20.56911 8.622483 19.38112 8.244101 1.187984       11.92948 
1 1 1 -31 4  19 o 15.07857 6.589822 4.506049       18.42912 -11.08135      25.52829 21.47060       26.63215 14.71350 6.919422 19.75083 8.251597 -5.037321      10.76881 
1 1 1 -31 4  20 o 23.55985 7.549361 36.75137       19.70000 27.76550       27.38417 46.39009       28.36152 20.91837 8.514246 24.95983 9.032336 -4.041464      12.41271 
1 1 1 -31 4  21 o 21.51766 7.902231 30.81190       21.82380 11.71820       27.68344 62.16000       35.47159 18.06457 7.979189 27.20820 10.06015 -9.143627      12.84033 
1 1 1 -31 4  22 o 12.83788 6.130473 -16.75066      21.57305 -16.45370      26.95341 -17.28000      35.98574 14.39892 6.869431 16.28371 7.813793 -1.884797      10.40406 
1 1 1 -31 4  23 o 30.95379 7.774058 64.51254       23.51889 68.54401       29.59282 57.60000       38.75012 29.88468 9.208689 25.50113 10.21726 4.383547       13.75472 
1 1 1 -31 4  24 o 19.43008 7.596996 23.75948       20.94385 29.75966       28.43864 16.64824       30.95987 20.88185 8.607763 18.89530 8.387423 1.986555       12.01842 
1 1 1 -31 4  25 o 27.35245 7.659433 51.52108       21.31692 58.18945       29.18985 43.90061       31.20422 26.86749 9.209783 23.31932 9.225549 3.548176       13.03575 
1 1 1 -31 4  26 o 15.31535 6.929168 2.527539       22.25706 8.301000       32.80985 -2.394146      30.29305 17.85480 8.205214 16.27879 7.617788 1.576008       11.19626 
1 1 1 -31 4  27 o 18.85511 7.860580 21.62700       24.09194 28.09045       27.74280 1.803000       48.58630 20.22716 8.434077 18.78421 9.030691 1.442951       12.35666 
1 1 1 -31 4  28 o 44.06969 5.557518 113.8925       23.44123 109.3393       31.32378 119.6882       35.34026 39.27275 8.402494 39.71009 9.262691 -0.4373360     12.50597 
1 1 1 -31 4  29 o 14.87855 6.755464 1.383095       21.38304 -36.79017      28.51072 50.46300       32.32811 12.83907 6.331121 24.24577 9.450441 -11.40670      11.37515 
1 1 1 -31 4  30 o 17.64934 7.438048 16.98103       21.93218 7.372842       30.39273 27.42097       31.68094 17.21910 7.907230 20.05695 8.704374 -2.837854      11.75970 
1 1 1 -31 4  31 o 35.44516 6.980475 81.63812       23.35636 79.73720       31.96205 83.81642       34.21466 30.80073 9.583600 30.87129 9.954514 -0.7056046E-01 13.81802 
1 1 1 -31 4  32 o 19.65430 7.744525 26.36459       21.91016 45.88120       30.58010 5.777225       31.40777 23.27297 9.155805 17.11084 7.921901 6.162130       12.10724 
1 1 1 -31 4  33 o 14.31757 6.607676 -2.017783      21.59869 9.443712       29.74264 -14.80551      31.41634 17.30248 7.899025 15.05764 7.244910 2.244843       10.71836 
1 1 1 -31 4  34 o 20.18382 8.313130 29.51432       26.49604 55.52546       31.49551 -33.47000      49.01006 24.97225 9.429459 16.45112 8.146638 8.521135       12.46124 
1 1 1 -31 4  35 o 24.20453 8.780821 48.56149       26.82577 62.07065       31.92478 16.11000       49.48014 26.08911 9.561460 19.31177 9.238919 6.777338       13.29583 
1 1 1 -31 4  36 o 19.48757 7.860045 26.59996       23.09609 5.995228       31.40347 50.87649       34.08691 16.93620 7.868697 23.40189 9.508848 -6.465687      12.34239 
1 1 1 -31 4  37 o 16.40833 7.444616 8.958859       25.91040 -9.734000      40.36892 22.05436       33.78860 16.48271 7.998574 18.80883 8.520866 -2.326118      11.68684 
1 1 1 -31 4  38 f 23.39129 8.366986 45.09818       24.25537 32.75528       33.42377 58.82976       35.25390 19.99237 8.801641 23.94206 9.691451 -3.949690      13.09172 
1 1 1 -31 4  39 o 14.08221 6.626598 -3.792876      23.47684 -3.322930      32.42290 -4.310823      34.03852 15.63248 7.478734 15.76072 7.572364 -0.1282425     10.64294 
1 1 1 -31 4  40 o 12.17673 6.029864 -33.34228      26.84640 -17.73000      48.25559 -40.34048      32.30783 16.30347 8.075328 12.91999 6.434282 3.383473       10.32526 
1 1 1 -31 5  1  o 30.42437 6.190518 53.86008       17.80750 23.97467       26.49741 78.47494       24.04765 20.79733 8.407999 36.06857 7.064271 -15.27124      10.98173 
1 1 1 -31 5  2  o 35.15714 5.342499 68.77886       17.80721 45.76421       26.34525 88.13786       24.16248 25.96152 8.751706 38.71498 6.613431 -12.75347      10.96950 
1 1 1 -31 5  3  o 33.00465 7.169616 66.43700       22.49801 55.79283       26.80015 91.84000       41.40223 28.62708 8.752769 33.90121 10.95193 -5.274134      14.01983 
1 1 1 -31 5  4  o 55.31767 4.874673 165.8628       26.12489 150.7180       30.98542 203.1000       48.58617 51.08992 6.331460 54.85653 9.385699 -3.766605      11.32160 
1 1 1 -31 5  5  o 37.93988 6.612891 84.81208       23.66578 85.40579       27.63710 83.18000       45.82209 36.73846 7.918931 31.08857 11.44478 5.649889       13.91734 
1 1 1 -31 5  6  o 20.07053 7.781589 22.79083       21.82813 37.45871       24.89450 -25.99000      45.39880 23.83454 8.481876 17.92913 8.647308 5.905411       12.11273 
1 1 1 -31 5  7  o 25.88115 8.087426 44.02617       22.73530 47.03375       25.91007 33.96000       47.40149 26.24324 8.675659 23.53980 10.41729 2.703440       13.55681 
1 1 1 -31 5  8  o 29.74587 7.816000 56.85467       23.04917 61.44213       26.28941 41.61000       47.92411 30.21868 8.521625 24.43130 10.65292 5.787380       13.64195 
1 1 1 -31 5  9  o 28.53316 8.066504 53.36975       23.52597 38.19297       26.77308 104.8000       49.28534 23.85094 8.753627 34.08728 11.95192 -10.23634      14.81467 
1 1 1 -31 5  10 f 49.54893 5.521852 137.4708       26.32636 131.9000       30.37271 154.3000       52.79034 47.10682 6.782291 42.53370 12.10329 4.573116       13.87404 
1 1 1 -31 5  11 o 17.59914 7.414730 12.21713       21.78472 40.75000       45.06703 3.517311       24.88521 24.13165 10.42728 16.72078 7.464762 7.410875       12.82384 
1 1 1 -31 5  12 o 24.31444 8.140482 39.29847       22.79647 63.75000       46.36474 31.50284       26.17944 27.21137 11.07758 22.14640 8.539291 5.064966       13.98686 
1 1 1 -31 5  13 o 18.66187 7.724243 16.64849       23.02738 -3.529000      45.91619 23.42863       26.61655 19.48455 9.198886 20.44127 8.365963 -0.9567280     12.43418 
1 1 1 -31 5  14 o 28.85697 9.874640 64.01000       33.55291 0.000000       0.000000 64.01000       33.55291 ?        ?        28.85697 9.874640 ?              ?        
1 1 1 -31 5  15 o 31.17949 9.080131 69.30170       29.38938 0.000000       0.000000 69.30170       29.38938 ?        ?        31.17949 9.080131 ?              ?        
1 1 1 -31 5  16 o 18.65683 8.025313 14.59109       26.46285 0.000000       0.000000 14.59109       26.46285 ?        ?        18.65683 8.025313 ?              ?        
1 1 1 -31 5  17 o 14.51750 6.871240 -14.23104      25.92361 0.000000       0.000000 -14.23104      25.92361 ?        ?        14.51750 6.871240 ?              ?        
1 1 1 -31 5  18 o 20.79556 7.370842 27.31981       18.78295 12.82146       25.95476 43.26183       27.21633 18.13448 7.874248 24.47485 8.849297 -6.340366      11.84541 
1 1 1 -31 5  19 o 11.59496 5.552160 -17.12730      17.95780 -41.27491      24.59627 10.43854       26.27954 11.70534 5.791978 17.76299 7.812893 -6.057653      9.725652 
1 1 1 -31 5  20 o 20.49986 7.440374 26.75535       19.26372 -5.224793      26.08353 65.12936       28.57227 15.45854 7.178443 29.65969 9.031445 -14.20115      11.53677 
1 1 1 -31 5  21 o 14.72167 6.595061 1.289631       19.60460 -26.55947      26.09948 37.34756       29.69796 13.24614 6.428761 22.72400 8.996937 -9.477855      11.05775 
1 1 1 -31 5  22 o 25.52863 8.186015 45.96286       23.15979 45.75855       28.89402 46.33000       38.73280 24.49777 9.075680 23.82652 9.952535 0.6712475      13.46926 
1 1 1 -31 5  23 o 15.79414 7.051108 4.627359       22.20388 15.32623       27.61231 -14.95000      37.35175 18.41167 8.055925 16.55326 7.947733 1.858406       11.31655 
1 1 1 -31 5  24 o 23.98585 8.187016 41.71934       23.06122 40.73236       28.55601 43.57000       39.10272 23.01159 8.906249 22.90122 9.801451 0.1103706      13.24348 
1 1 1 -31 5  25 o 14.61472 6.605088 1.102408       20.15975 7.410026       27.27131 -6.497491      29.93485 16.99466 7.681328 15.80854 7.452433 1.186119       10.70241 
1 1 1 -31 5  26 o 17.76169 7.320338 17.53352       20.56325 30.04001       27.64677 2.047751       30.76401 20.65775 8.498301 16.80545 7.801175 3.852291       11.53601 
1 1 1 -31 5  27 o 36.80273 7.096284 87.82993       24.63674 103.5000       37.42696 75.84813       32.72729 34.53856 10.29714 29.84415 9.744411 4.694412       14.17690 
1 1 1 -31 5  28 o 19.17811 7.913661 23.08843       24.07042 7.639139       27.70890 70.60000       48.59199 17.00231 7.707972 25.40545 10.90076 -8.403141      13.35063 
1 1 1 -31 5  29 o 35.34264 6.841082 80.05492       22.81081 91.03227       30.81803 66.75348       33.92387 34.48062 9.026937 27.20784 9.873840 7.272779       13.37828 
1 1 1 -31 5  30 o 35.56376 6.844090 81.25416       22.96015 66.42513       31.06661 99.10348       34.08383 27.87499 9.502618 34.82460 9.660646 -6.949612      13.55093 
1 1 1 -31 5  31 f 11.87570 5.758083 -21.08438      20.80626 -28.21628      27.72152 -11.88424      31.48557 13.18447 6.448611 15.35197 7.351332 -2.167503      9.778889 
1 1 1 -31 5  32 o 19.55643 7.785213 25.98793       22.35299 17.10809       30.50641 36.28265       32.84700 18.41729 8.240515 21.35296 9.055653 -2.935667      12.24381 
1 1 1 -31 5  33 o 18.97759 7.791085 23.45595       23.17514 6.297159       31.60018 43.42579       34.09050 17.15554 7.943831 22.40670 9.346581 -5.251165      12.26634 
1 1 1 -31 5  34 o 45.87194 6.811893 135.5914       29.65852 169.2374       35.95709 63.98000       52.45771 49.89131 7.602934 23.43117 10.61575 26.46014       13.05752 
1 1 1 -31 5  35 o 23.42187 8.235901 42.69879       23.41402 57.72229       31.90633 25.16757       34.46652 25.11651 9.489236 19.46801 8.731165 5.648495       12.89492 
1 1 1 -31 5  36 o 19.90760 8.240969 28.98071       26.21619 57.38000       41.04818 9.416513       34.06992 23.50504 10.05067 17.57849 8.176904 5.926552       12.95676 
1 1 1 -31 5  37 o 29.38427 8.796521 70.22099       27.27023 51.79000       43.68708 81.98727       34.90585 22.14533 9.888250 29.01174 10.06577 -6.866409      14.11018 
1 1 1 -31 5  38 o 13.74071 6.496939 -6.789354      23.06493 5.889565       31.98693 -20.52193      33.28952 16.61166 7.790980 14.53457 7.099869 2.077088       10.54076 
1 1 1 -31 5  39 o 22.77525 8.314810 44.01213       24.10738 41.97759       33.92334 46.08788       34.26519 20.90123 9.039093 21.49207 9.186181 -0.5908413     12.88763 
1 1 1 -31 5  40 o 13.75453 6.521976 -5.917149      23.55974 8.742089       33.34906 -20.52278      33.28803 16.69747 7.869792 14.29074 7.005691 2.406730       10.53629 
1 1 1 -31 6  1  o 29.81717 9.261065 62.92689       29.86157 45.20000       45.57720 76.26000       39.52730 24.98384 10.63397 30.87379 10.71143 -5.889956      15.09357 
1 1 1 -31 6  2  f 52.40268 5.126771 150.6066       25.96079 129.9734       31.59368 193.5000       45.55258 46.40179 7.188290 54.19985 8.894616 -7.798058      11.43616 
1 1 1 -31 6  3  o 26.41580 7.810067 44.97316       21.60264 48.17092       25.76796 37.41000       39.62857 26.61956 8.643365 23.77241 10.00721 2.847147       13.22317 
1 1 1 -31 6  4  o 28.98927 7.574670 53.17665       21.72710 34.52476       25.35664 104.7000       42.14367 23.04882 8.508657 36.34154 10.94815 -13.29272      13.86575 
1 1 1 -31 6  5  o 37.71723 6.664743 84.33350       23.70569 64.87568       27.45122 141.4000       47.01162 30.89315 8.706514 42.52181 11.15738 -11.62866      14.15240 
1 1 1 -31 6  6  o 35.55216 7.073721 76.79155       23.74988 71.97880       27.37246 91.45000       47.77061 32.92196 8.451664 31.98380 11.70023 0.9381542      14.43350 
1 1 1 -31 6  7  o 19.01817 7.612833 18.74084       21.49249 29.68994       24.40098 -19.15000      45.39261 21.82711 8.286558 18.35252 8.798422 3.474594       12.08633 
1 1 1 -31 6  8  o 14.58176 6.725222 -6.749468      22.32173 -16.76495      25.79617 23.10000       44.53357 14.39180 6.824255 22.06886 9.908997 -7.677061      12.03157 
1 1 1 -31 6  9  o 22.19974 7.119305 30.49985       17.51688 15.61225       25.37732 44.04839       24.20915 18.88015 7.981118 25.57841 8.382678 -6.698269      11.57444 
1 1 1 -31 6  10 o 18.22816 6.954169 17.93044       17.23753 -2.925409      25.65410 35.09649       23.27437 15.97426 7.309091 23.15073 8.204985 -7.176469      10.98838 
1 1 1 -31 6  11 o 28.02169 7.883399 51.37914       22.52664 56.81000       46.75042 49.73693       25.70788 26.16235 10.93165 26.82608 8.626777 -0.6637287     13.92560 
1 1 1 -31 6  12 o 39.65939 6.780099 94.36283       25.37516 15.52000       48.98129 123.2853       29.66656 21.45930 9.920294 45.24299 6.918467 -23.78370      12.09452 
1 1 1 -31 6  13 o 18.16608 8.160477 6.765000       30.24315 0.000000       0.000000 6.765000       30.24315 ?        ?        18.16608 8.160477 ?              ?        
1 1 1 -31 6  14 o 22.95681 8.699220 35.47805       26.86168 0.000000       0.000000 35.47805       26.86168 ?        ?        22.95681 8.699220 ?              ?        
1 1 1 -31 6  15 o 27.30397 8.984709 53.70858       27.79990 0.000000       0.000000 53.70858       27.79990 ?        ?        27.30397 8.984709 ?              ?        
1 1 1 -31 6  16 o 26.07188 8.960665 49.23795       27.63715 0.000000       0.000000 49.23795       27.63715 ?        ?        26.07188 8.960665 ?              ?        
1 1 1 -31 6  17 o 15.27456 6.957260 -1.434544      22.90457 -26.72000      47.87984 6.069014       26.08260 17.75357 8.637195 17.09452 7.636197 0.6590557      11.52877 
1 1 1 -31 6  18 o 16.14515 7.223904 3.588556       23.44391 -41.38000      47.05846 18.43374       27.03809 16.74030 8.231253 19.22722 8.187352 -2.486925      11.60975 
1 1 1 -31 6  19 o 14.54365 6.497216 1.182154       18.88601 22.43209       25.61267 -24.13943      27.95899 19.75350 8.158360 14.00017 6.760696 5.753333       10.59556 
1 1 1 -31 6  20 o 13.55686 6.236959 -4.897576      19.02971 4.222580       25.79496 -15.78851      28.18813 16.61740 7.494386 14.78144 7.044424 1.835960       10.28541 
1 1 1 -31 6  21 o 21.00845 7.588255 28.79170       20.00590 28.40127       27.07278 29.26138       29.69375 20.90703 8.481914 21.14478 8.763406 -0.2377472     12.19591 
1 1 1 -31 6  22 o 26.19902 8.061188 48.16530       22.68723 46.42649       27.92696 51.54000       38.90584 24.66076 8.957375 24.48356 10.07771 0.1771965      13.48313 
1 1 1 -31 6  23 o 17.40557 7.398854 14.08230       22.01485 6.906819       26.95110 28.47000       38.16336 17.00099 7.664558 20.98076 9.312721 -3.979774      12.06119 
1 1 1 -31 6  24 o 27.67600 8.321266 55.89619       24.36355 31.08892       30.15871 102.5000       41.33652 20.97743 8.773717 32.99441 10.95989 -12.01697      14.03914 
1 1 1 -31 6  25 f 25.97027 8.270854 49.53698       23.67348 38.24445       28.56580 74.30000       42.30119 22.34987 8.831655 27.15846 10.74236 -4.808598      13.90670 
1 1 1 -31 6  26 o 15.11441 6.755302 4.144561       20.44111 19.22205       27.47385 -14.55118      30.59330 18.68534 8.107502 15.07562 7.226297 3.609715       10.86052 
1 1 1 -31 6  27 f 35.86760 6.553330 80.56091       22.16002 87.84200       29.67403 71.38076       33.31986 34.31721 8.794565 28.56440 9.838043 5.752808       13.19589 
1 1 1 -31 6  28 o 21.09501 8.140183 31.85017       23.80275 41.36000       35.96926 24.44110       31.74875 22.35067 9.477419 19.77678 8.646096 2.573885       12.82874 
1 1 1 -31 6  29 o 15.49774 7.094621 1.915057       24.21098 -5.662768      28.23543 22.96000       47.05394 15.38140 7.246993 20.14147 9.447412 -4.760072      11.90683 
1 1 1 -31 6  30 o 25.27884 8.046775 47.04634       22.41031 40.10738       29.78639 56.09786       34.01978 22.29647 8.949464 24.88276 9.695741 -2.586290      13.19471 
1 1 1 -31 6  31 o 38.47012 7.293582 98.21509       26.45963 73.71839       31.97781 151.4000       47.11825 29.18281 9.637742 39.39573 11.50410 -10.21292      15.00767 
1 1 1 -31 6  32 o 37.10397 6.771098 88.31357       23.68569 89.28780       32.07216 87.14474       35.12948 33.07209 9.441416 31.12273 10.09100 1.949358       13.81914 
1 1 1 -31 6  33 o 16.77392 7.493167 10.27714       25.11631 11.98181       29.84766 6.142000       46.48729 17.61172 7.990466 18.60408 8.915004 -0.9923592     11.97184 
1 1 1 -31 6  34 o 21.97707 8.096394 36.83952       22.93900 42.87090       31.01354 29.55440       34.08482 22.33213 9.071576 20.07111 8.860147 2.261026       12.68052 
1 1 1 -31 6  35 o 19.54861 8.085416 27.05972       25.20615 55.11000       38.42852 5.878703       33.39324 23.49971 9.871186 17.14377 8.014591 6.355938       12.71511 
1 1 1 -31 6  36 o 23.30375 8.676690 45.24507       26.47120 64.17000       42.18272 32.95094       33.99902 24.15998 10.25479 20.37549 8.926559 3.784489       13.59574 
1 1 1 -31 6  37 o 18.12175 7.649182 21.30683       23.25398 55.59818       32.71674 -13.70384      33.05811 24.00749 9.462454 15.10087 7.306594 8.906616       11.95510 
1 1 1 -31 6  38 o 14.26310 6.661651 -1.938384      22.98207 -6.867692      31.64709 3.561709       33.42918 15.28983 7.334442 16.47464 7.799117 -1.184811      10.70609 
1 1 1 -31 6  39 f 14.59910 6.779599 1.386910       23.26890 49.09698       32.57495 -48.32049      33.24981 22.07812 9.166975 12.67279 6.344046 9.405335       11.14811 
1 1 1 -31 6  40 o 15.31242 7.340528 -2.885495      31.58544 -1.938000      42.77108 -4.022000      46.84327 16.53380 8.070208 16.71737 8.218476 -0.1835690     11.51832 
1 1 1 -31 7  1  f 38.67958 8.467239 98.02030       31.16621 73.32000       50.51612 113.2000       39.60139 28.59000 11.59086 39.15586 10.22392 -10.56586      15.45563 
1 1 1 -31 7  2  o 55.96619 6.447574 182.4872       34.67588 160.7000       51.38881 200.7000       46.98478 44.62429 11.64394 54.78890 9.078754 -10.16462      14.76500 
1 1 1 -31 7  3  o 34.04794 9.254142 81.20485       31.64192 35.36000       46.26353 121.5000       43.37305 23.61512 10.37729 39.56602 10.86771 -15.95090      15.02648 
1 1 1 -31 7  4  o 20.68810 8.724031 22.18968       30.20131 -9.648000      44.41538 49.57000       41.18906 18.93353 8.971007 25.55354 10.42659 -6.620020      13.75473 
1 1 1 -31 7  5  o 24.63318 8.035115 39.72926       22.25539 41.23960       26.27074 35.89000       41.88496 24.63242 8.718393 23.51717 10.10601 1.115252       13.34698 
1 1 1 -31 7  6  o 34.15672 7.351936 72.24871       23.85162 81.61466       28.23823 48.93000       44.55679 35.30713 8.309983 25.33850 10.63547 9.968630       13.49700 
1 1 1 -31 7  7  o 33.99780 7.543652 72.49464       24.44737 71.17029       28.59772 76.09000       47.11931 32.22996 8.813297 29.29733 11.41223 2.932636       14.41919 
1 1 1 -31 7  8  o 34.93563 5.900380 70.11564       19.45907 74.25485       28.63774 66.56534       26.52239 33.04055 8.726681 31.53261 8.430442 1.507944       12.13373 
1 1 1 -31 7  9  o 50.38284 4.412283 135.9951       21.54027 94.83040       30.81733 175.3172       30.11974 37.79529 8.532892 55.84996 5.584435 -18.05467      10.19785 
1 1 1 -31 7  10 o 24.12337 8.037780 38.49213       22.22908 51.59000       46.67945 34.65078       25.27948 25.39907 10.78441 22.87144 8.486100 2.527636       13.72288 
1 1 1 -31 7  11 o 15.25840 6.895164 -0.9201435     21.96156 -44.39000      46.07525 11.85916       24.98199 16.68767 8.193227 18.05052 7.781334 -1.362856      11.29947 
1 1 1 -31 7  12 o 27.95981 9.581155 58.66000       31.59076 0.000000       0.000000 58.66000       31.59076 ?        ?        27.95981 9.581155 ?              ?        
1 1 1 -31 7  13 o 22.19113 8.544770 32.12286       26.18738 0.000000       0.000000 32.12286       26.18738 ?        ?        22.19113 8.544770 ?              ?        
1 1 1 -31 7  14 f 19.50658 8.190215 19.32107       26.43662 0.000000       0.000000 19.32107       26.43662 ?        ?        19.50658 8.190215 ?              ?        
1 1 1 -31 7  15 f 37.82426 8.091380 93.74779       29.05101 0.000000       0.000000 93.74779       29.05101 ?        ?        37.82426 8.091380 ?              ?        
1 1 1 -31 7  16 o 16.41095 7.250438 5.851139       22.87015 13.67000       48.21068 3.580682       25.97934 20.79808 9.692123 16.71784 7.532055 4.080235       12.27473 
1 1 1 -31 7  17 o 13.02316 6.244447 -19.58514      22.88467 -4.701000      46.57218 -24.32296      26.27567 19.05951 9.075221 13.56781 6.552427 5.491703       11.19348 
1 1 1 -31 7  18 o 20.54579 8.140731 26.43196       24.33168 45.24000       48.29141 20.03267       28.16850 23.80923 10.52661 19.56732 8.345237 4.241909       13.43326 
1 1 1 -31 7  19 o 27.41495 7.507162 49.60469       20.73265 34.42490       28.54400 66.55618       30.16379 22.17803 8.807704 29.50573 9.328747 -7.327700      12.82970 
1 1 1 -31 7  20 o 38.76574 5.830146 87.77795       21.43810 45.20312       29.00510 139.0404       31.82713 24.44207 9.085953 47.16103 7.115821 -22.71897      11.54077 
1 1 1 -31 7  21 o 15.63102 6.813436 6.635918       19.59039 1.135487       26.78725 12.96049       28.72402 16.32400 7.468985 18.29976 8.103276 -1.975760      11.02038 
1 1 1 -31 7  22 o 14.98589 6.797836 0.4625451      21.59024 -12.40341      26.64874 25.04000       36.83191 14.61995 6.933513 20.55150 9.133986 -5.931547      11.46749 
1 1 1 -31 7  23 o 25.01503 8.136907 45.14702       22.83108 61.53961       28.41226 15.27000       38.35753 28.06108 9.073219 19.33466 8.880338 8.726418       12.69582 
1 1 1 -31 7  24 o 23.44866 8.165863 40.15919       22.98310 38.57440       27.86693 43.53000       40.64169 22.47272 8.769924 22.67246 9.848983 -0.1997375     13.18765 
1 1 1 -31 7  25 o 14.64917 6.736779 -1.682981      22.17092 -12.45949      26.56385 23.06000       40.25112 14.42150 6.863178 20.08695 9.177402 -5.665447      11.45984 
1 1 1 -31 7  26 o 38.23804 6.279213 89.90092       22.68707 86.74426       30.57085 93.77051       33.84748 33.53784 9.088060 33.80193 9.714992 -0.2640915     13.30315 
1 1 1 -31 7  27 o 14.90010 6.732236 2.165453       20.92667 15.85187       28.20742 -14.58901      31.20928 18.21945 8.050669 15.19156 7.286309 3.027894       10.85834 
1 1 1 -31 7  28 o 16.86496 7.208537 13.25006       21.10021 -28.45471      28.25608 65.82198       31.72459 13.36509 6.531294 27.67588 9.596457 -14.31079      11.60818 
1 1 1 -31 7  29 o 16.11835 7.074276 9.364247       21.44000 -1.257899      29.28030 21.64279       31.48059 16.03006 7.497483 19.16719 8.485497 -3.137129      11.32325 
1 1 1 -31 7  30 o 16.33919 7.159164 10.29683       21.87494 7.273200       28.97146 14.30657       33.36294 16.96566 7.764439 18.33258 8.368021 -1.366922      11.41535 
1 1 1 -31 7  31 o 21.71258 8.444983 36.25810       25.77146 69.06122       30.30455 -49.45000      48.98478 28.61117 9.378919 15.75933 7.860147 12.85184       12.23708 
1 1 1 -31 7  32 o 16.38386 7.416926 7.165482       25.54518 16.13494       30.07242 -16.08000      48.41218 18.19187 8.157480 17.34695 8.492385 0.8449135      11.77561 
1 1 1 -31 7  33 o 28.75523 8.085511 60.69445       23.70301 77.60751       32.50320 41.48331       34.64109 29.75907 9.710626 21.96647 9.307055 7.792601       13.45056 
1 1 1 -31 7  34 o 16.28524 7.187274 10.47267       22.41664 5.214715       30.67999 16.49460       32.83328 16.74394 7.778742 18.28905 8.330104 -1.545113      11.39734 
1 1 1 -31 7  35 o 15.34143 7.092514 1.056000       25.04230 -27.30000      38.12225 22.57956       33.21338 15.16344 7.446438 19.06113 8.558053 -3.897692      11.34415 
1 1 1 -31 7  36 o 18.95171 7.795993 25.02269       23.26425 12.87510       31.90738 38.81006       33.99279 17.58047 8.083694 21.10069 9.086345 -3.520226      12.16173 
1 1 1 -31 7  37 o 26.46579 8.316465 55.75303       24.00731 27.23698       32.91449 88.16891       35.09307 19.26088 8.592786 30.06640 10.10054 -10.80552      13.26110 
1 1 1 -31 7  38 o 11.32400 5.587920 -29.71012      22.34342 -81.26367      30.75483 27.91458       32.51534 10.75979 5.468940 19.08484 8.525596 -8.325050      10.12892 
1 1 1 -31 7  39 o 17.50643 7.528566 20.33813       23.27712 62.79966       32.28206 -25.64697      33.59480 24.66025 9.489315 14.00633 6.900146 10.65392       11.73282 
1 1 1 -31 8  1  o 42.32391 8.208746 115.2174       32.77962 73.06000       50.74752 145.4000       42.93943 28.43119 11.58365 45.05810 9.997378 -16.62691      15.30126 
1 1 1 -31 8  2  o 34.76871 9.252601 84.69017       32.04017 102.8000       50.61356 72.58000       41.38899 33.27018 12.06244 29.54572 10.87703 3.724461       16.24230 
1 1 1 -31 8  3  o 31.09496 9.564864 70.55532       31.94327 74.30000       48.32741 67.65000       42.56794 28.85831 11.46053 28.44130 10.90890 0.4170151      15.82238 
1 1 1 -31 8  4  o 60.74011 6.266414 213.4450       36.72224 177.8000       53.15110 246.0000       50.79514 47.10725 11.60421 61.15764 8.732966 -14.05040      14.52317 
1 1 1 -31 8  5  o 36.09303 9.118301 90.16486       32.21972 80.50000       48.08475 98.04000       43.40490 29.83440 11.55434 34.19021 11.22546 -4.355810      16.10943 
1 1 1 -31 8  6  o 26.47904 9.463233 51.30296       31.02070 32.52000       45.80988 67.21000       42.15720 23.11775 10.23520 28.32551 10.85825 -5.207764      14.92182 
1 1 1 -31 8  7  o 17.31758 7.251119 12.03638       20.63429 31.08000       44.18530 6.724933       23.33509 22.82860 10.08218 16.87057 7.393057 5.958029       12.50231 
1 1 1 -31 8  8  o 25.54146 7.956833 43.09126       22.02493 27.50000       46.01012 47.72609       25.08591 22.45122 10.07700 26.35717 8.525845 -3.905952      13.19985 
1 1 1 -31 8  9  f 44.72982 6.024508 115.3814       25.70694 64.06000       49.49402 134.3412       30.08298 26.93845 11.25130 47.56029 6.643028 -20.62183      13.06604 
1 1 1 -31 8  10 o 18.39193 7.873002 13.60897       25.23804 -41.47000      47.30875 35.52000       29.83870 17.05140 8.357533 22.97530 9.042478 -5.923899      12.31319 
1 1 1 -31 8  11 o 20.08911 8.212013 22.41968       25.60793 0.000000       0.000000 22.41968       25.60793 ?        ?        20.08911 8.212013 ?              ?        
1 1 1 -31 8  12 o 23.85227 8.641324 39.13115       25.96862 0.000000       0.000000 39.13115       25.96862 ?        ?        23.85227 8.641324 ?              ?        
1 1 1 -31 8  13 o 11.61250 5.737582 -40.03352      23.81984 0.000000       0.000000 -40.03352      23.81984 ?        ?        11.61250 5.737582 ?              ?        
1 1 1 -31 8  14 o 19.43996 7.894968 20.83567       23.48403 40.61000       53.61526 16.14128       26.12327 23.73498 10.74493 18.83284 8.034417 4.902140       13.41661 
1 1 1 -31 8  15 o 45.71999 6.048615 121.9850       26.40534 83.78000       52.81861 134.7149       30.48874 28.63081 11.75891 47.10673 6.809636 -18.47592      13.58834 
1 1 1 -31 8  16 o 23.02232 8.404137 36.62549       24.62720 -34.86000      48.82685 61.01611       28.52077 17.36373 8.506457 28.75332 9.068563 -11.38959      12.43377 
1 1 1 -31 8  17 o 21.36496 8.281475 29.97489       24.71820 90.64000       49.13880 9.424279       28.60009 30.03175 11.66662 17.96259 8.011964 12.06915       14.15279 
1 1 1 -31 8  18 o 35.90748 7.760000 84.52620       26.47722 27.72000       49.81079 106.8981       31.25915 21.86335 10.07011 39.80500 8.292473 -17.94164      13.04501 
1 1 1 -31 8  19 o 11.39752 5.531830 -23.18750      19.33078 -30.25367      27.09700 -15.86439      27.58524 13.20372 6.440114 14.61384 6.965706 -1.410128      9.486629 
1 1 1 -31 8  20 o 25.53503 7.623356 43.89592       20.50276 24.83497       28.40405 64.63083       29.62505 20.23866 8.493035 29.02322 9.253305 -8.784561      12.56007 
1 1 1 -31 8  21 o 13.67225 6.302194 -4.663005      19.56250 -41.63331      26.99635 36.21463       28.38712 12.26582 6.069077 22.27594 8.803506 -10.01012      10.69277 
1 1 1 -31 8  22 o 31.26372 7.061401 62.96645       21.09703 45.91111       28.66861 83.11237       31.15803 24.20728 9.026403 32.88032 9.278937 -8.673042      12.94506 
1 1 1 -31 8  23 o 17.92633 7.511637 17.26275       22.16888 27.46229       27.21466 -2.854000      38.22008 20.24412 8.389825 17.46749 8.289636 2.776636       11.79437 
1 1 1 -31 8  24 o 20.50882 7.998518 28.90009       23.16850 39.81730       28.26804 6.559000       40.43822 22.67291 8.837179 18.53228 8.713247 4.140633       12.41034 
1 1 1 -31 8  25 o 19.46958 7.870175 24.78871       23.21254 11.20456       27.88024 55.48000       41.90712 17.48706 7.846951 23.99617 10.20461 -6.509108      12.87279 
1 1 1 -31 8  26 o 13.04912 6.156067 -10.06585      20.49379 -10.22565      27.07453 -9.851438      31.36077 14.72121 6.983619 15.62543 7.442052 -0.9042130     10.20564 
1 1 1 -31 8  27 o 21.98971 7.829922 34.48985       21.21748 38.08417       28.77584 30.20768       31.40885 22.13183 8.825674 20.63588 8.806898 1.495958       12.46812 
1 1 1 -31 8  28 o 18.00102 7.423010 19.02017       21.15939 1.674186       28.68372 39.72791       31.34024 16.27726 7.547987 22.10363 9.065755 -5.826372      11.79661 
1 1 1 -31 8  29 f 42.80982 7.030462 118.7106       28.43830 147.1023       34.83302 61.96000       49.24708 46.11834 8.006612 23.89193 10.59333 22.22641       13.27872 
1 1 1 -31 8  30 o 14.87498 6.799562 1.043327       22.13177 15.27679       30.45836 -14.87771      32.21342 18.13506 8.164365 15.19850 7.318673 2.936558       10.96448 
1 1 1 -31 8  31 o 16.43752 7.454401 7.011652       25.94188 14.51964       31.06748 -10.28000      47.14790 18.08693 8.184496 17.58268 8.557863 0.5042572      11.84158 
1 1 1 -31 8  32 o 17.38355 7.675418 13.87815       25.59216 18.29720       30.26873 2.799000       47.92733 18.48879 8.244802 18.46198 8.899439 0.2680969E-01  12.13164 
1 1 1 -31 8  33 o 19.04748 7.761343 24.47133       22.78537 4.059229       31.33681 47.36868       33.18973 16.73901 7.805046 22.93350 9.358762 -6.194490      12.18627 
1 1 1 -31 8  34 o 16.94905 7.533298 12.48625       25.05716 52.44000       39.14311 -15.25324      32.61563 22.98756 9.821653 15.08098 7.287377 7.906577       12.22991 
1 1 1 -31 8  35 o 18.02055 7.610293 19.83318       23.03698 13.53995       31.95410 26.64413       33.24252 17.80434 8.150542 19.55424 8.684894 -1.749907      11.91045 
1 1 1 -31 8  36 o 15.76548 7.089551 7.924612       22.89342 43.11141       31.69524 -30.45726      33.10299 21.87627 9.059105 13.92258 6.857066 7.953682       11.36163 
1 1 1 -31 8  37 o 20.10088 7.982316 31.45733       23.44351 5.131388       32.11075 61.50637       34.30630 16.52624 7.768306 24.50454 9.679899 -7.978300      12.41157 
1 1 1 -31 8  38 o 17.32944 7.481269 18.90346       23.15754 12.55471       32.19703 25.70764       33.33186 17.10133 7.952922 18.68668 8.464549 -1.585346      11.61454 
1 1 1 -31 8  39 o 14.07757 6.598052 -2.012342      22.87604 -23.47994      31.41509 22.22064       33.37721 13.77597 6.763999 18.15470 8.318097 -4.378733      10.72112 
1 1 1 -31 9  1  o 35.68326 9.053139 88.12502       31.66562 54.13000       50.60618 110.0000       40.59473 25.72659 11.08254 37.72398 10.57206 -11.99738      15.31637 
1 1 1 -31 9  2  o 33.39806 9.247385 79.01793       31.26277 92.52000       50.65342 70.71000       39.73334 31.27031 11.92313 29.29819 10.67799 1.972122       16.00563 
1 1 1 -31 9  3  o 32.21561 9.522941 75.61966       32.11995 25.83000       50.70057 109.0000       41.51343 22.60594 10.31749 37.11414 10.78692 -14.50820      14.92676 
1 1 1 -31 9  4  o 42.28117 8.432404 117.2531       33.67381 172.6000       53.10329 80.03000       43.54924 45.75632 11.78510 30.36045 11.16063 15.39588       16.23109 
1 1 1 -31 9  5  o 40.69818 6.074067 95.85654       23.45737 59.05000       47.44529 107.7643       26.98639 26.40208 11.02078 42.49661 6.710040 -16.09453      12.90280 
1 1 1 -31 9  6  o 44.94223 5.561203 114.0100       23.94265 104.8000       48.22462 117.0228       27.58220 33.83249 11.82550 44.48358 6.528841 -10.65110      13.50808 
1 1 1 -31 9  7  o 24.16330 7.891846 38.37680       21.46550 55.74000       45.17932 33.31456       24.39476 25.99452 10.79466 22.54159 8.341342 3.452927       13.64195 
1 1 1 -31 9  8  o 31.18157 7.775157 62.79088       23.64836 44.41000       46.57877 69.17427       27.44925 24.41172 10.57449 31.82792 8.606002 -7.416201      13.63389 
1 1 1 -31 9  9  o 18.52164 8.224755 10.02000       29.79957 0.000000       0.000000 10.02000       29.79957 ?        ?        18.52164 8.224755 ?              ?        
1 1 1 -31 9  10 o 29.47021 8.884525 61.39614       27.74638 0.000000       0.000000 61.39614       27.74638 ?        ?        29.47021 8.884525 ?              ?        
1 1 1 -31 9  11 o 33.14397 8.545349 74.83462       27.90057 0.000000       0.000000 74.83462       27.90057 ?        ?        33.14397 8.545349 ?              ?        
1 1 1 -31 9  12 o 31.21386 8.746648 68.12353       27.78810 0.000000       0.000000 68.12353       27.78810 ?        ?        31.21386 8.746648 ?              ?        
1 1 1 -31 9  13 o 12.56962 6.040976 -20.70019      21.70018 13.11000       49.42487 -28.77412      24.15262 20.95014 9.779707 12.59199 6.127968 8.358146       11.54100 
1 1 1 -31 9  14 o 20.66825 8.012161 26.81074       23.13829 51.46000       50.71214 20.33013       26.00267 24.64340 10.84570 19.48135 8.147301 5.162052       13.56494 
1 1 1 -31 9  15 o 39.11501 6.993072 94.55231       25.79143 82.96000       52.55796 98.22932       29.60057 28.36563 11.69819 38.50483 8.110337 -10.13921      14.23465 
1 1 1 -31 9  16 o 34.13949 7.974437 77.42612       26.16385 -2.980000      51.99038 104.6954       30.27718 19.70307 9.437979 39.83836 8.041862 -20.13529      12.39948 
1 1 1 -31 9  17 o 17.71626 8.228312 0.8158651      34.29433 -66.18000      49.83768 61.07000       47.26365 15.83489 7.902595 25.62477 10.86477 -9.789886      13.43482 
1 1 1 -31 9  18 o 37.66894 7.580536 91.98409       26.98171 83.60000       52.17068 95.04549       31.52526 27.99330 11.61010 36.46699 8.909229 -8.473690      14.63451 
1 1 1 -31 9  19 o 20.84254 7.606568 28.34652       20.17286 10.30880       28.10545 47.51328       28.97172 17.85579 7.954762 24.91705 9.112269 -7.061262      12.09594 
1 1 1 -31 9  20 o 12.42669 5.883860 -12.62308      19.04270 -22.81528      25.94490 -0.7204108     28.03756 13.44648 6.498050 16.26875 7.515372 -2.822268      9.935063 
1 1 1 -31 9  21 o 30.37880 7.162038 59.94422       20.94718 59.49186       28.98391 60.43887       30.30799 27.48096 9.178606 27.36911 9.384432 0.1118507      13.12686 
1 1 1 -31 9  22 o 15.90085 6.942100 8.205935       20.40689 7.663396       28.24678 8.798257       29.51434 17.18007 7.786118 17.51474 7.946172 -0.3346710     11.12498 
1 1 1 -31 9  23 o 21.81537 8.099437 34.19029       23.03509 18.14569       28.09464 67.10000       40.23657 18.64799 8.143370 26.25258 10.44700 -7.604586      13.24592 
1 1 1 -31 9  24 o 16.84674 7.351448 11.56998       22.86024 3.713761       27.31232 29.95000       41.77580 16.40138 7.518398 20.82944 9.451482 -4.428061      12.07712 
1 1 1 -31 9  25 o 18.58467 7.749924 20.69430       23.42765 7.682926       28.13003 50.15000       42.32465 17.00573 7.731884 23.16003 10.05589 -6.154297      12.68475 
1 1 1 -31 9  26 o 18.46537 7.746300 19.87518       23.61673 4.114482       28.48654 54.52000       42.23486 16.63138 7.643919 23.82259 10.19089 -7.191212      12.73906 
1 1 1 -31 9  27 o 19.82828 7.706626 26.64263       21.45013 11.26352       29.16397 44.76641       31.65960 17.59769 7.949639 23.09782 9.241762 -5.500124      12.19044 
1 1 1 -31 9  28 o 20.80696 7.829915 30.92540       21.67505 22.41818       29.85692 40.40475       31.51668 19.15720 8.379668 22.14785 9.088379 -2.990650      12.36194 
1 1 1 -31 9  29 o 31.39738 7.693221 68.53774       23.45481 39.83627       32.48009 99.81470       33.90606 21.95223 9.137393 34.90686 9.616963 -12.95463      13.26567 
1 1 1 -31 9  30 o 31.86338 8.407001 75.32107       26.59578 82.74372       32.33582 59.80000       46.75900 31.21164 9.627506 23.65029 10.41129 7.561350       14.18041 
1 1 1 -31 9  31 o 26.54473 8.738624 56.32590       26.29686 55.65443       31.29226 57.94000       48.51607 25.05795 9.412580 23.23947 10.39553 1.818472       14.02368 
1 1 1 -31 9  32 o 14.85242 6.917419 -2.611786      24.50221 -16.08000      37.77305 7.171998       32.19441 15.96304 7.744225 17.25757 8.000491 -1.294535      11.13467 
1 1 1 -31 9  33 o 14.65138 7.059465 -14.85010      30.07900 -16.18000      39.17493 -12.94000      46.94893 16.04285 7.806678 17.17051 8.396912 -1.127663      11.46527 
1 1 1 -31 9  34 f 24.31426 8.234625 46.05310       23.32468 24.76977       32.47520 68.73042       33.52184 19.28789 8.574323 26.96672 9.810948 -7.678837      13.02972 
1 1 1 -31 9  35 o 19.32564 7.812222 26.67086       22.87269 40.98175       31.11043 9.835001       33.74351 21.68076 8.976367 17.43437 8.119215 4.246389       12.10359 
1 1 1 -31 9  36 o 25.56672 8.231444 51.82706       23.40100 23.01233       31.77711 85.96790       34.58949 18.68504 8.381524 29.82022 10.02788 -11.13519      13.06937 
1 1 1 -31 9  37 o 32.85767 7.761800 78.97678       24.56340 73.39321       33.77724 85.24403       35.78547 26.84537 9.835550 28.62084 10.17099 -1.775476      14.14875 
1 1 1 -31 9  38 o 20.27522 8.012700 33.92517       23.51593 14.45072       32.10767 56.45972       34.53828 17.18268 7.974027 22.90760 9.468660 -5.724918      12.37904 
1 1 1 -31 9  39 o 21.32998 9.072971 47.18383       33.14168 4.917000       43.26554 107.2000       51.55566 16.96219 8.242642 25.69405 11.12753 -8.731859      13.84786 
1 1 1 -31 10 1  o 19.87152 8.489870 19.01983       29.24484 35.85000       47.36394 8.650000       37.17831 23.40082 10.38149 19.46093 8.863979 3.939894       13.65084 
1 1 1 -31 10 2  o 29.37777 9.467551 63.77458       30.95195 48.42000       49.61134 73.56000       39.60514 24.89644 10.84755 29.74559 10.68539 -4.849150      15.22652 
1 1 1 -31 10 3  o 45.20971 5.463263 114.8620       23.68660 114.7000       51.49228 114.9054       26.67658 34.72528 12.21336 44.28828 6.333832 -9.563000      13.75804 
1 1 1 -31 10 4  o 47.57154 5.323395 126.2917       24.36349 69.27000       51.17469 143.0040       27.70469 27.49421 11.45880 50.15087 5.747481 -22.65667      12.81943 
1 1 1 -31 10 5  o 33.72640 7.039585 69.85880       22.48730 19.12000       48.62731 83.66107       25.36211 21.70046 9.978583 36.70158 7.316692 -15.00112      12.37361 
1 1 1 -31 10 6  o 31.58360 7.417115 63.00787       22.53638 11.09000       47.60905 78.00075       25.58431 20.84543 9.686183 34.98600 7.681765 -14.14056      12.36251 
1 1 1 -31 10 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 10 8  o 26.93893 8.889611 51.72560       27.20772 0.000000       0.000000 51.72560       27.20772 ?        ?        26.93893 8.889611 ?              ?        
1 1 1 -31 10 9  o 33.73294 8.539473 77.36806       28.21810 0.000000       0.000000 77.36806       28.21810 ?        ?        33.73294 8.539473 ?              ?        
1 1 1 -31 10 10 o 19.92557 8.219260 21.94745       25.95339 0.000000       0.000000 21.94745       25.95339 ?        ?        19.92557 8.219260 ?              ?        
1 1 1 -31 10 11 o 16.47474 7.420738 2.640220       25.19976 0.000000       0.000000 2.640220       25.19976 ?        ?        16.47474 7.420738 ?              ?        
1 1 1 -31 10 12 o 19.84001 7.839694 23.26085       22.50875 17.20000       48.14529 24.95612       25.46285 21.13956 9.794440 20.40020 8.244100 0.7393532      12.80220 
1 1 1 -31 10 13 o 20.03606 7.888751 24.33331       22.71803 46.19000       48.26069 18.11129       25.74939 24.00654 10.57230 19.00942 8.037767 4.997116       13.28078 
1 1 1 -31 10 14 o 17.64309 7.539086 12.89045       23.06841 -40.20000      47.68629 29.11027       26.35775 16.86705 8.292072 21.20444 8.449739 -4.337389      11.83877 
1 1 1 -31 10 15 o 14.99289 6.915289 -4.304245      23.60678 -88.34000      49.82407 20.02178       26.80666 14.98396 7.537385 19.40622 8.203118 -4.422262      11.14017 
1 1 1 -31 10 16 o 18.34622 7.803916 16.06963       24.51955 6.677000       50.32986 18.99265       28.07679 20.09267 9.528841 19.26924 8.277267 0.8234348      12.62188 
1 1 1 -31 10 17 o 11.85196 5.828066 -34.27220      23.60545 -13.70000      49.65570 -40.27868      26.83111 18.52770 8.962311 12.37046 6.107879 6.157238       10.84570 
1 1 1 -31 10 18 o 22.27404 8.452084 34.83181       25.37801 -16.54000      50.37101 52.30790       29.37923 18.40668 8.932796 25.97429 9.217221 -7.567602      12.83558 
1 1 1 -31 10 19 o 19.98220 7.609327 25.61191       20.61436 6.292942       28.37696 47.19913       29.99662 17.22469 7.805422 24.50824 9.213625 -7.283545      12.07541 
1 1 1 -31 10 20 o 13.51597 6.251626 -5.322423      19.49113 1.042094       26.69081 -12.59442      28.53027 16.15298 7.414844 15.00056 7.131320 1.152418       10.28764 
1 1 1 -31 10 21 o 35.16662 6.436984 76.33539       21.34115 60.87017       29.01433 94.56467       31.50064 27.60902 9.182508 35.55960 9.033731 -7.950586      12.88126 
1 1 1 -31 10 22 o 21.28348 7.699306 31.42747       20.60558 49.09129       28.19647 11.18219       30.18661 24.76033 8.999479 17.86246 8.076757 6.897867       12.09234 
1 1 1 -31 10 23 o 13.93719 6.530719 -7.375044      22.38923 -4.986544      26.66736 -13.08000      41.21388 15.23245 7.134358 16.96000 8.194484 -1.727548      10.86502 
1 1 1 -31 10 24 o 20.48945 8.109371 29.65823       24.11959 22.63415       29.17344 44.83000       42.87568 19.27082 8.358067 22.42394 9.916255 -3.153116      12.96879 
1 1 1 -31 10 25 o 14.73599 6.813957 -2.315186      23.13064 -9.262259      28.16431 12.08000       40.54216 15.04089 7.131625 18.87293 8.825554 -3.832039      11.34683 
1 1 1 -31 10 26 o 26.03022 8.510098 51.78605       24.95751 24.40373       30.07095 112.4000       44.74025 19.62438 8.498617 33.03379 11.39908 -13.40942      14.21849 
1 1 1 -31 10 27 f 33.23082 7.171776 73.16001       22.64280 87.47530       31.47991 57.81489       32.59257 32.97996 9.333523 25.40857 9.592706 7.571392       13.38412 
1 1 1 -31 10 28 o 14.03971 6.511033 -3.743692      21.35170 -17.10048      29.38062 11.20576       31.08297 14.47759 6.976058 17.72064 8.084227 -3.243044      10.67802 
1 1 1 -31 10 29 o 18.89603 7.960316 22.79045       25.10448 18.13693       30.27631 33.03000       44.91099 18.47728 8.242345 20.79579 9.572452 -2.318510      12.63203 
1 1 1 -31 10 30 o 32.82840 8.379692 79.51039       27.01448 77.58855       32.54296 83.77000       48.44881 29.78484 9.716400 26.43472 11.09258 3.350122       14.74631 
1 1 1 -31 10 31 f 21.03683 7.947737 32.52747       22.38186 27.72399       31.16210 37.64583       32.16730 19.87855 8.629836 21.45765 9.023435 -1.579098      12.48585 
1 1 1 -31 10 32 o 18.14360 7.754479 19.72296       24.41400 -30.54000      37.34678 57.23075       32.26189 14.85192 7.308654 24.94147 9.514151 -10.08955      11.99731 
1 1 1 -31 10 33 o 35.42698 7.934517 89.53294       26.82933 58.46000       41.60306 111.6563       35.10421 23.51489 10.08794 36.55257 9.665375 -13.03768      13.97090 
1 1 1 -31 10 34 o 16.20767 7.351748 7.568380       25.24887 13.02272       30.13077 -5.293000      46.26822 17.54183 7.985946 17.51150 8.512850 0.3032875E-01  11.67236 
1 1 1 -31 10 35 o 14.85085 6.816004 2.241586       22.54115 16.69749       30.28397 -15.71641      33.75352 17.82840 8.072771 15.05707 7.308415 2.771331       10.88956 
1 1 1 -31 10 36 o 17.70058 7.554655 19.92461       23.11447 19.59396       31.39267 20.31613       34.15997 18.09658 8.204178 18.32325 8.402675 -0.2266674     11.74366 
1 1 1 -31 10 37 f 16.50238 7.343929 13.69035       23.88887 27.61666       33.54677 -0.6369216     34.02627 18.92934 8.540965 16.00948 7.659724 2.919859       11.47255 
1 1 1 -31 10 38 o 16.47099 7.338964 14.19506       23.93195 13.15081       33.04773 15.34652       34.70266 17.08645 7.982955 17.42013 8.152375 -0.3336811     11.41003 
1 1 1 -31 11 1  o 36.89060 5.674260 77.69794       19.83399 51.33201       29.78855 98.69518       26.58330 26.41522 9.289523 40.24184 7.002996 -13.82661      11.63345 
1 1 1 -31 11 2  o 37.50999 5.412484 79.31943       19.29822 42.83186       29.39937 106.9444       25.58092 24.47072 9.137525 42.67627 6.314146 -18.20555      11.10688 
1 1 1 -31 11 3  o 48.83998 5.152272 132.3390       24.26018 58.13000       48.54147 157.0467       28.00918 26.01123 11.01886 52.81315 5.498583 -26.80192      12.31461 
1 1 1 -31 11 4  o 15.23091 6.759587 2.307423       20.09933 -85.24000      45.89142 23.08702       22.35776 14.60812 7.332720 19.92791 7.832092 -5.319788      10.72895 
1 1 1 -31 11 5  o 22.48529 7.892643 32.96011       21.49644 -14.48000      48.14325 44.77357       24.02431 18.80313 9.026693 25.56450 8.348952 -6.761370      12.29578 
1 1 1 -31 11 6  o 19.59911 8.426420 18.10000       29.14646 0.000000       0.000000 18.10000       29.14646 ?        ?        19.59911 8.426420 ?              ?        
1 1 1 -31 11 7  o 43.92602 6.929739 117.3054       28.80850 0.000000       0.000000 117.3054       28.80850 ?        ?        43.92602 6.929739 ?              ?        
1 1 1 -31 11 8  o 35.88338 8.132360 84.96267       27.90125 0.000000       0.000000 84.96267       27.90125 ?        ?        35.88338 8.132360 ?              ?        
1 1 1 -31 11 9  o 35.96769 8.231004 86.08826       28.34973 0.000000       0.000000 86.08826       28.34973 ?        ?        35.96769 8.231004 ?              ?        
1 1 1 -31 11 10 o 36.47060 8.357638 89.48795       29.19504 0.000000       0.000000 89.48795       29.19504 ?        ?        36.47060 8.357638 ?              ?        
1 1 1 -31 11 11 o 17.93173 7.564065 14.57607       22.71546 -19.77000      48.73782 24.10736       25.67458 18.26324 8.845100 20.16263 8.230056 -1.899397      12.08179 
1 1 1 -31 11 12 o 25.75577 8.197242 45.99364       23.25703 18.98000       48.59097 54.02104       26.48812 21.16226 9.816967 27.31689 8.753992 -6.154633      13.15314 
1 1 1 -31 11 13 o 39.04552 6.892484 93.85423       25.37950 110.8000       51.38046 88.38528       29.18898 32.83789 12.11379 35.96727 8.437502 -3.129383      14.76263 
1 1 1 -31 11 14 o 22.39781 8.283897 34.51052       24.05447 17.49000       50.26648 39.56589       27.39482 21.01767 9.828060 23.38858 8.802348 -2.370907      13.19364 
1 1 1 -31 11 15 o 22.08001 8.335418 33.68692       24.60777 41.65000       50.04109 31.14712       28.26089 23.12653 10.43340 21.46216 8.680942 1.664373       13.57257 
1 1 1 -31 11 16 o 16.64997 7.406055 6.719082       24.26504 -34.47000      50.25546 19.24055       27.70893 17.35652 8.528677 19.20687 8.236188 -1.850355      11.85635 
1 1 1 -31 11 17 o 14.39558 6.743595 -8.723317      23.84400 23.98000       50.37349 -18.16642      27.06846 21.35123 9.935517 14.22281 6.812116 7.128428       12.04655 
1 1 1 -31 11 18 o 21.04596 8.309008 30.16038       25.26443 2.453000       51.14227 39.10485       29.05760 19.54449 9.361662 22.82598 8.941425 -3.281490      12.94565 
1 1 1 -31 11 19 o 11.24363 5.484876 -25.21926      19.67507 -61.86018      27.69885 12.09548       27.95238 11.23513 5.647380 17.87742 7.950643 -6.642285      9.752212 
1 1 1 -31 11 20 o 36.45705 6.424295 81.89517       22.08793 43.26033       30.09337 127.0173       32.52189 23.29888 9.107385 43.30090 7.966605 -20.00202      12.10005 
1 1 1 -31 11 21 o 15.55391 6.860864 6.549775       20.40109 -11.93754      27.43868 29.40405       30.50774 14.68479 6.984725 20.58315 8.728128 -5.898357      11.17885 
1 1 1 -31 11 22 o 17.44473 7.306183 15.95889       20.95683 44.52052       28.39090 -18.23435      31.06404 23.58670 8.942147 14.86042 7.163686 8.726282       11.45777 
1 1 1 -31 11 23 o 15.10963 6.908886 0.9109569      22.87154 -3.554325      27.63046 10.63000       40.76387 15.53088 7.270226 18.73290 8.788815 -3.202022      11.40612 
1 1 1 -31 11 24 o 30.22495 8.122915 65.71703       24.54428 32.57353       29.53472 139.7000       44.12651 20.95891 8.717716 39.08992 11.04622 -18.13100      14.07187 
1 1 1 -31 11 25 o 24.51234 8.391134 45.68540       24.22917 24.14114       29.16367 93.69000       43.53292 19.53137 8.413445 29.83902 11.12363 -10.30765      13.94709 
1 1 1 -31 11 26 o 19.01957 7.921766 23.14438       24.43534 17.84079       29.59649 34.50000       43.30725 18.47071 8.199715 21.07388 9.586231 -2.603170      12.61472 
1 1 1 -31 11 27 o 20.05135 7.834610 28.10611       22.26212 38.74997       31.21978 17.09501       31.75379 21.83788 9.012040 18.51519 8.335780 3.322689       12.27608 
1 1 1 -31 11 28 o 15.64609 7.200384 1.991173       25.39063 36.74739       30.89233 -70.37000      44.57458 21.41966 8.913126 14.19256 7.137959 7.227104       11.41903 
1 1 1 -31 11 29 o 18.03899 7.796225 18.12584       25.20344 2.151555       30.19761 54.80000       45.75535 16.45520 7.669093 23.06941 10.22068 -6.614204      12.77800 
1 1 1 -31 11 30 o 26.41477 8.050498 51.86051       22.69591 27.46277       31.61026 77.82059       32.60666 19.83164 8.649469 29.71954 9.727846 -9.887899      13.01708 
1 1 1 -31 11 31 o 22.58900 8.315988 39.79547       24.19312 41.10000       38.37860 38.93524       31.16520 21.63378 9.480783 21.66096 8.977676 -0.2717972E-01 13.05695 
1 1 1 -31 11 32 o 21.27446 7.963172 34.20195       22.35547 9.638785       30.72350 61.83995       32.58980 17.20477 7.918722 25.70432 9.616035 -8.499556      12.45690 
1 1 1 -31 11 33 o 11.53274 5.661250 -27.72704      21.96623 -42.62096      29.71586 -9.783882      32.61618 12.53926 6.232440 15.50154 7.438598 -2.962275      9.704434 
1 1 1 -31 11 34 o 17.65650 7.708629 17.79464       25.16251 32.69000       37.22684 5.264808       34.14313 20.14877 9.052239 16.96931 7.987100 3.179459       12.07215 
1 1 1 -31 11 35 o 14.20601 6.753851 -7.772785      25.59487 19.83627       31.03090 -66.53000      45.26882 18.19091 8.210507 14.09791 7.103645 4.093001       10.85699 
1 1 1 -31 11 36 o 33.90586 7.599753 82.74164       24.59674 82.55172       33.88062 82.95329       35.76600 28.77777 9.920115 28.05773 10.14450 0.7200451      14.18871 
1 1 1 -31 11 37 o 28.11525 8.358777 64.77811       24.68950 84.38390       34.37500 43.88708       35.48384 28.43573 9.980740 20.80557 9.117070 7.630156       13.51799 
1 1 1 -31 11 38 o 15.35719 7.173759 4.522820       26.66820 3.756880       31.90153 6.300000       48.59369 15.90436 7.555221 17.33501 8.491083 -1.430651      11.36573 
1 1 1 -31 12 1  o 58.13773 4.011136 179.0437       22.68618 116.2920       33.00772 235.2255       31.23208 41.93534 8.335049 65.46089 4.910087 -23.52555      9.673779 
1 1 1 -31 12 2  o 22.25484 7.235111 31.47136       18.05221 28.68157       27.70951 33.52855       23.79469 21.35495 8.610722 22.44709 8.250036 -1.092138      11.92508 
1 1 1 -31 12 3  o 19.10492 7.095029 21.40024       17.67840 6.939627       27.28074 31.86857       23.21142 17.52919 7.821395 22.03522 8.139658 -4.506035      11.28841 
1 1 1 -31 12 4  o 19.38946 7.497283 21.85631       20.22143 28.70261       29.28838 15.62000       27.95315 21.40561 8.769966 18.97850 8.206402 2.427105       12.01072 
1 1 1 -31 12 5  o 31.36110 8.265362 66.51176       25.72538 0.000000       0.000000 66.51176       25.72538 ?        ?        31.36110 8.265362 ?              ?        
1 1 1 -31 12 6  o 26.82774 8.646644 51.02835       25.81668 0.000000       0.000000 51.02835       25.81668 ?        ?        26.82774 8.646644 ?              ?        
1 1 1 -31 12 7  o 42.95438 6.869231 112.4775       27.90900 0.000000       0.000000 112.4775       27.90900 ?        ?        42.95438 6.869231 ?              ?        
1 1 1 -31 12 8  o 30.04488 8.498679 62.96895       26.10685 0.000000       0.000000 62.96895       26.10685 ?        ?        30.04488 8.498679 ?              ?        
1 1 1 -31 12 9  o 37.68112 7.006410 88.00517       24.89105 96.50000       53.76720 85.68800       28.08141 30.05420 12.03741 35.72593 8.203628 -5.671728      14.56704 
1 1 1 -31 12 10 o 14.14057 6.599401 -8.570628      22.48496 -20.76000      48.44204 -5.223301      25.38522 18.10657 8.780805 15.33184 7.106520 2.774728       11.29625 
1 1 1 -31 12 11 o 20.90177 8.040451 28.13989       23.17150 -44.18000      48.78262 49.21073       26.33159 16.79122 8.280267 26.00905 8.749365 -9.217836      12.04634 
1 1 1 -31 12 12 o 24.40054 8.381461 42.12842       24.17876 19.78000       48.67152 49.45070       27.85957 21.12373 9.808030 25.72473 8.988426 -4.600998      13.30373 
1 1 1 -31 12 13 o 14.22588 6.668920 -9.430012      23.39026 -61.82000      47.58955 7.257099       26.85827 15.63563 7.790306 17.24267 7.722255 -1.607041      10.96914 
1 1 1 -31 12 14 o 16.99734 7.471697 9.212449       24.00162 -11.22000      48.61911 15.79656       27.59913 18.53656 8.942385 18.61334 8.100613 -0.7678604E-01 12.06591 
1 1 1 -31 12 15 o 31.57925 8.220152 68.96667       25.65215 27.62000       51.19780 82.82552       29.64113 21.72249 10.07686 33.90120 8.841965 -12.17870      13.40610 
1 1 1 -31 12 16 o 23.03656 8.472118 38.19501       25.09955 -12.93000      50.38268 55.07179       28.94738 18.55745 8.988912 26.63824 9.170033 -8.080786      12.84095 
1 1 1 -31 12 17 o 15.22380 7.026038 -2.578032      24.42188 -53.26000      49.89830 13.38689       28.00544 16.19065 8.052114 18.12674 8.015187 -1.936085      11.36133 
1 1 1 -31 12 18 o 23.61153 7.913218 39.37431       21.54077 -12.03523      30.90074 87.97205       30.04382 15.52517 7.392322 34.64947 8.833059 -19.12429      11.51822 
1 1 1 -31 12 19 o 19.56635 7.573734 24.88693       20.65222 -26.05153      28.61099 80.29980       29.84113 13.72164 6.675885 32.41475 9.057060 -18.69311      11.25157 
1 1 1 -31 12 20 o 26.03866 7.950243 48.56559       22.12097 7.968726       30.76170 92.04033       31.83337 17.49760 8.005190 34.49915 9.241596 -17.00155      12.22662 
1 1 1 -31 12 21 o 36.58884 6.577875 83.84373       22.69214 69.62063       31.19102 99.83675       33.07482 28.86976 9.517741 35.83603 9.336844 -6.966269      13.33282 
1 1 1 -31 12 22 o 13.33095 6.251283 -7.853150      20.57898 -18.18559      27.84109 4.590909       30.55384 14.09781 6.792495 16.94945 7.835321 -2.851647      10.36968 
1 1 1 -31 12 23 o 13.71167 6.460302 -8.880706      22.43815 -0.7837982E-01 27.27530 -27.31000      39.46618 15.85112 7.353817 15.64071 7.659297 0.2104111      10.61807 
1 1 1 -31 12 24 o 13.44118 6.379463 -11.79464      22.64610 -7.546219      27.42503 -20.90000      40.14964 15.05294 7.107461 16.18578 7.882291 -1.132844      10.61351 
1 1 1 -31 12 25 o 18.07997 7.737886 18.20998       24.37014 37.73552       29.88713 -20.53000      42.09809 21.77700 8.883157 16.40164 8.005869 5.375357       11.95845 
1 1 1 -31 12 26 o 26.53269 8.501413 54.51016       24.98234 45.62402       29.97335 74.73000       45.21344 23.23920 9.087705 25.84550 10.77113 -2.606298      14.09268 
1 1 1 -31 12 27 o 28.88550 8.753377 65.45214       26.88407 73.25897       31.36221 43.82000       52.20581 29.19361 9.539471 21.76381 10.12314 7.429808       13.90969 
1 1 1 -31 12 28 o 17.70514 7.686848 16.54249       24.72760 5.989933       29.59602 40.94000       45.00151 16.79333 7.744741 21.52972 9.785117 -4.736393      12.47916 
1 1 1 -31 12 29 o 15.84192 6.991064 8.662519       21.20543 -14.99064      29.28239 34.74499       30.74937 14.55394 7.000502 20.98754 8.823826 -6.433602      11.26352 
1 1 1 -31 12 30 o 12.33513 5.999462 -22.76136      23.05815 -28.20000      36.01846 -18.98469      30.01470 14.81635 7.268275 14.34908 6.947470 0.4672689      10.05461 
1 1 1 -31 12 31 o 17.44332 7.482137 16.91615       22.87991 45.55059       32.86372 -10.01815      31.87318 22.48662 9.259620 15.36855 7.369142 7.118070       11.83405 
1 1 1 -31 12 32 f 19.02753 7.736247 25.01994       22.57932 4.177136       31.08000 48.31579       32.85808 16.58791 7.747275 22.90346 9.324887 -6.315556      12.12327 
1 1 1 -31 12 33 o 12.62991 6.085711 -16.69161      22.35873 -38.18795      30.32031 8.930910       33.10262 12.92343 6.401137 17.31513 8.056288 -4.391700      10.28972 
1 1 1 -31 12 34 o 12.86618 6.170289 -13.53265      22.36676 -21.40511      30.07083 -3.783796      33.46315 13.92303 6.789495 15.94091 7.618538 -2.017876      10.20487 
1 1 1 -31 12 35 o 14.14823 6.729806 -7.340714      25.47800 16.67000       39.30710 -24.73742      33.45815 18.14472 8.549448 14.21002 6.977794 3.934702       11.03552 
1 1 1 -31 12 36 o 17.95664 8.335444 19.42117       35.12022 47.47000       52.10318 -3.934000      47.54428 20.43260 9.691566 16.97237 8.330944 3.460226       12.78010 
1 1 1 -31 12 37 o 14.10087 6.624470 -2.086053      23.29280 19.85231       32.14585 -26.33774      33.79822 17.73314 8.139149 13.94507 6.879668 3.788069       10.65718 
1 1 1 -31 13 1  o 21.26382 7.365797 28.89540       18.68813 -4.661654      27.20511 58.87882       25.71575 15.86664 7.355253 28.96309 8.510173 -13.09644      11.24823 
1 1 1 -31 13 2  o 26.76116 7.124195 45.65494       18.99071 26.51412       29.02162 59.98838       25.11403 20.83730 8.652240 29.46991 8.335336 -8.632610      12.01412 
1 1 1 -31 13 3  o 50.31678 5.800745 146.0665       28.04721 93.93000       41.60431 189.5000       37.97338 32.70944 10.99780 55.24580 7.192832 -22.53636      13.14109 
1 1 1 -31 13 4  o 51.40593 4.877140 145.8989       24.24701 86.62000       42.82869 173.8607       29.41494 30.81877 11.10656 55.30738 5.506572 -24.48862      12.39670 
1 1 1 -31 13 5  o 42.89577 5.502144 104.9472       22.57085 44.67000       37.04819 140.5247       28.46283 23.97703 9.847953 48.97627 6.066878 -24.99924      11.56673 
1 1 1 -31 13 6  o 44.62164 5.431424 113.1551       23.23466 103.0000       40.41016 118.1702       28.39820 35.00510 10.75633 43.96908 6.819087 -8.963982      12.73572 
1 1 1 -31 13 7  o 36.27352 6.450072 79.25301       22.06204 49.15000       38.36280 94.12873       26.96772 24.60616 10.05397 38.44940 7.434480 -13.84324      12.50415 
1 1 1 -31 13 8  o 14.52474 6.662062 -3.577765      21.48762 5.995000       50.08712 -5.736979      23.78785 20.14430 9.539352 14.85157 6.882307 5.292730       11.76288 
1 1 1 -31 13 9  o 18.09716 7.529883 16.19675       22.04501 -36.09000      49.23892 29.30513       24.65399 17.26282 8.474443 21.15443 8.250770 -3.891613      11.82757 
1 1 1 -31 13 10 o 13.86541 6.484784 -9.078539      21.90093 19.95000       48.51525 -16.50808      24.54408 21.08147 9.789733 13.77129 6.565892 7.310184       11.78770 
1 1 1 -31 13 11 o 24.45184 8.419075 42.83488       24.40077 10.80000       50.03817 52.82927       27.94911 20.33103 9.599851 26.43384 9.013187 -6.102806      13.16794 
1 1 1 -31 13 12 o 19.82972 8.060771 24.01121       24.50753 21.50000       49.67527 24.81907       28.17514 21.10464 9.836075 20.19401 8.465503 0.9106369      12.97741 
1 1 1 -31 13 13 o 22.82770 8.376392 36.99074       24.51328 45.30000       50.05936 34.36977       28.11480 23.37324 10.49932 22.03325 8.744126 1.339987       13.66366 
1 1 1 -31 13 14 o 19.55345 7.990008 22.90265       24.23072 6.142000       50.16131 28.00399       27.67361 19.86098 9.445939 20.73418 8.513146 -0.8732071     12.71611 
1 1 1 -31 13 15 o 41.04502 6.867921 105.1464       26.61851 9.948000       52.62601 137.8751       30.85676 20.19257 9.623788 46.99082 6.915175 -26.79825      11.85061 
1 1 1 -31 13 16 o 22.78724 8.491456 38.11942       25.36328 -30.59000      50.34182 61.49351       29.36217 17.32941 8.519464 27.87787 9.236280 -10.54845      12.56543 
1 1 1 -31 13 17 o 16.26148 7.035325 9.801089       20.56642 19.71154       29.63027 0.5876223      28.56935 19.12139 8.356263 16.37517 7.572225 2.746225       11.27678 
1 1 1 -31 13 18 o 12.60163 5.996618 -13.53966      20.27105 -47.74265      28.74729 20.28669       28.58856 12.22850 6.086565 19.00410 8.257878 -6.775596      10.25860 
1 1 1 -31 13 19 o 13.83215 6.401697 -4.302793      20.48336 27.86415       28.49895 -38.67737      29.46068 20.23578 8.500486 12.96334 6.400532 7.272443       10.64073 
1 1 1 -31 13 20 o 17.76619 7.371102 17.60817       21.03963 15.45002       29.49368 19.84439       30.02243 18.26137 8.141289 18.94534 8.341195 -0.6839771     11.65573 
1 1 1 -31 13 21 o 15.53157 6.877114 6.675217       20.68600 -30.42018      27.98065 51.38857       30.71965 13.11683 6.428712 24.52661 9.300928 -11.40978      11.30644 
1 1 1 -31 13 22 o 22.52424 8.289111 38.32610       24.03334 40.44304       29.38625 34.05000       41.76506 22.41456 8.925262 21.10177 9.524731 1.312788       13.05300 
1 1 1 -31 13 23 o 23.12060 8.393164 40.82277       24.51488 34.36576       30.01163 53.77000       42.49742 21.25360 8.809499 23.55561 10.15169 -2.302010      13.44113 
1 1 1 -31 13 24 o 18.60591 7.842711 21.05089       24.39115 10.98628       29.99435 40.70000       41.90948 17.57355 7.987675 21.77332 9.706017 -4.199770      12.57019 
1 1 1 -31 13 25 o 14.18111 6.678774 -7.412335      23.93788 -3.818261      28.75829 -15.52000      43.19341 15.58630 7.334317 16.78533 8.174566 -1.199024      10.98252 
1 1 1 -31 13 26 f 24.67519 9.373011 53.72551       31.22941 53.72551       31.22941 0.000000       0.000000 24.67519 9.373011 ?        ?        ?              ?        
1 1 1 -31 13 27 f 24.93142 9.435693 55.70005       31.57914 55.70005       31.57914 0.000000       0.000000 24.93142 9.435693 ?        ?        ?              ?        
1 1 1 -31 13 28 o 14.51193 6.655626 0.4395457E-01  21.44001 -29.35732      29.99540 30.75636       30.65692 13.55399 6.645687 20.30898 8.684995 -6.754989      10.93592 
1 1 1 -31 13 29 o 17.30305 7.509899 15.20745       23.58690 16.88000       36.81622 14.04300       30.71932 18.69367 8.627146 17.86428 8.105547 0.8293915      11.83755 
1 1 1 -31 13 30 o 21.48328 7.978034 34.95763       22.35219 27.10099       31.47178 42.95462       31.75162 19.58292 8.583611 22.15772 9.110520 -2.574799      12.51719 
1 1 1 -31 13 31 o 15.68651 7.018468 7.611337       22.12756 0.5837245      30.48070 15.44151       32.17412 16.11698 7.573618 17.98610 8.212811 -1.869114      11.17184 
1 1 1 -31 13 32 o 19.73813 7.851297 28.26875       22.71651 15.81151       31.15195 42.41570       33.19753 17.94100 8.149059 21.82433 9.171557 -3.883331      12.26885 
1 1 1 -31 13 33 o 12.32834 5.969569 -18.46724      22.17143 -31.94274      29.89104 -1.985148      33.05787 13.14157 6.480720 16.06181 7.647320 -2.920236      10.02403 
1 1 1 -31 13 34 o 17.84315 7.841378 19.80712       26.41908 22.02511       31.38157 14.41000       48.95266 18.39627 8.284114 18.49335 8.934218 -0.9707832E-01 12.18388 
1 1 1 -31 13 35 o 25.65252 9.146933 61.59138       28.96516 30.03000       51.34691 76.32240       35.07946 19.30184 9.280616 26.73734 9.981797 -7.435493      13.62960 
1 1 1 -31 13 36 o 20.71947 8.472543 38.92316       27.26992 28.55000       44.14204 45.32550       34.67894 18.78965 8.914670 20.94534 9.098287 -2.155689      12.73775 
1 1 1 -31 13 37 o 22.03962 9.407855 55.51753       35.85434 56.32000       45.41599 54.19000       58.41413 20.96882 9.642632 20.05645 9.706342 0.9123764      13.68186 
1 1 1 -31 14 1  o 53.97242 5.711969 167.6982       29.71877 119.1000       43.76008 209.3000       40.48777 37.14546 11.14845 57.70915 7.332945 -20.56369      13.34391 
1 1 1 -31 14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 14 3  o 16.93858 7.075442 12.54550       19.57599 -17.20000      32.99271 28.70751       24.31952 15.77765 7.547099 21.02223 8.195928 -5.244580      11.14145 
1 1 1 -31 14 4  o 23.11662 7.768666 35.91768       20.75978 4.634000       34.03736 54.44814       26.19631 18.13792 8.343349 27.42215 8.696559 -9.284227      12.05162 
1 1 1 -31 14 5  o 56.68671 4.605432 175.5631       25.33400 114.3000       41.50526 211.9404       31.98300 36.95369 10.79889 61.15022 5.398759 -24.19654      12.07322 
1 1 1 -31 14 6  o 41.56299 6.691611 105.4051       26.29940 69.00769       31.72939 185.3000       47.00957 29.69083 9.587239 49.75265 10.00025 -20.06182      13.85353 
1 1 1 -31 14 7  o 31.40504 6.761880 61.24705       20.17073 22.86016       29.42098 95.29285       27.70750 20.02773 8.534772 38.29272 7.659946 -18.26499      11.46809 
1 1 1 -31 14 8  f 33.00216 6.485235 66.43269       20.20208 53.68218       30.87062 75.98317       26.71741 26.06948 9.424842 33.25740 8.247863 -7.187927      12.52417 
1 1 1 -31 14 9  f 25.02128 7.498630 41.84923       19.80847 24.32807       29.68528 55.91288       26.59553 20.20634 8.590625 27.50562 8.767192 -7.299280      12.27446 
1 1 1 -31 14 10 o 24.06709 7.646963 39.27947       20.24642 3.614749       30.07435 68.84094       27.38040 17.23126 7.895302 30.84337 8.696250 -13.61211      11.74566 
1 1 1 -31 14 11 o 32.22763 6.841113 65.08134       20.91232 51.27991       31.02678 76.57059       28.30873 25.38515 9.404626 32.65734 8.700068 -7.272184      12.81164 
1 1 1 -31 14 12 o 33.74404 6.757197 70.85709       21.53978 69.59568       31.88644 71.91582       29.21259 29.47546 9.618052 30.97898 9.061563 -1.503515      13.21434 
1 1 1 -31 14 13 o 17.51337 7.244729 15.54705       20.24118 13.99297       29.76866 16.88337       27.60441 18.47310 8.210849 18.66366 8.112180 -0.1905651     11.54233 
1 1 1 -31 14 14 f 14.53345 6.572725 0.4086563      20.00187 -19.68533      29.47651 17.55726       27.23062 14.54939 7.004774 18.64970 8.081878 -4.100315      10.69503 
1 1 1 -31 14 15 o 13.84683 6.381660 -3.925304      20.04768 -15.13081      28.93785 6.416162       27.79979 14.79654 7.075173 16.99845 7.711927 -2.201909      10.46575 
1 1 1 -31 14 16 o 12.14741 5.845153 -18.30710      20.45932 -26.06071      30.24520 -11.76617      27.77949 14.09948 6.860658 14.80505 7.037943 -0.7055759     9.828594 
1 1 1 -31 14 17 f 20.67950 7.755797 29.60206       21.22814 16.92153       30.53197 41.46808       29.53510 18.61362 8.291797 22.79320 8.988507 -4.179573      12.22895 
1 1 1 -31 14 18 o 14.63751 6.667090 0.3229119      21.03379 -5.012728      29.84566 5.588064       29.64786 15.84325 7.460327 17.00635 7.809608 -1.163098      10.80030 
1 1 1 -31 14 19 o 31.85073 7.371159 68.08307       22.52519 30.31248       31.19439 109.2340       32.56036 20.56094 8.775901 38.35559 8.852282 -17.79465      12.46513 
1 1 1 -31 14 20 o 16.93268 7.224045 13.94859       21.12072 32.52303       29.18297 -6.481842      30.60627 20.86705 8.671419 15.72443 7.449453 5.142622       11.43188 
1 1 1 -31 14 21 o 15.81933 6.965118 8.130476       20.93534 13.03123       28.84126 2.672328       30.43725 17.74816 7.971218 16.66807 7.745000 1.080095       11.11420 
1 1 1 -31 14 22 o 16.47850 7.331173 8.999461       23.78835 -2.394424      29.24277 31.29000       40.90184 15.92960 7.464107 20.78386 9.399275 -4.854262      12.00247 
1 1 1 -31 14 23 o 18.46077 7.802969 20.48020       24.25264 -0.4585424     29.78827 61.65000       41.76951 16.16311 7.560533 24.51150 10.29347 -8.348392      12.77173 
1 1 1 -31 14 24 o 12.45908 6.074257 -24.79531      24.03120 -18.21053      29.14476 -38.78000      42.47333 14.27487 6.895612 15.30283 7.579057 -1.027967      10.24654 
1 1 1 -31 14 25 o 18.92948 8.349815 21.50511       30.21671 21.50511       30.21671 0.000000       0.000000 18.92948 8.349815 ?        ?        ?              ?        
1 1 1 -31 14 26 o 17.54578 8.032221 11.07725       31.03362 11.07725       31.03362 0.000000       0.000000 17.54578 8.032221 ?        ?        ?              ?        
1 1 1 -31 14 27 o 15.24267 7.055021 0.9056574E-01  24.88431 -11.85228      30.44233 24.14000       43.19926 15.04453 7.210611 19.76184 9.197577 -4.717307      11.68710 
1 1 1 -31 14 28 o 20.71579 8.170095 32.19690       24.40374 22.76000       38.05230 38.78986       31.80583 19.37421 8.878609 21.55648 9.012597 -2.182270      12.65135 
1 1 1 -31 14 29 o 27.58544 8.076733 56.95771       23.19814 17.75216       32.77898 96.29820       32.83534 18.39631 8.357162 33.96870 9.503986 -15.57239      12.65575 
1 1 1 -31 14 30 o 22.34139 8.634615 41.53782       26.81258 49.15472       32.95803 26.63000       46.10832 23.00143 9.348612 19.77190 9.298578 3.229530       13.18560 
1 1 1 -31 14 31 o 38.10735 6.756242 94.63550       24.27853 72.81454       33.88782 117.6476       34.80041 27.53437 9.884940 38.03270 9.402081 -10.49833      13.64226 
1 1 1 -31 14 32 o 14.55689 6.713713 0.6099991      22.24491 13.01388       30.96068 -12.62598      31.98230 17.41236 7.990357 14.99937 7.240142 2.412987       10.78265 
1 1 1 -31 14 33 o 24.35945 8.802836 52.08347       26.92675 24.15355       31.65459 125.2000       51.21648 18.71679 8.382881 29.90165 11.82253 -11.18486      14.49292 
1 1 1 -31 14 34 f 16.43086 7.571302 9.702624       28.20194 -32.17000      50.82553 28.32986       33.89933 15.96474 7.969437 19.06522 8.595497 -3.100485      11.72154 
1 1 1 -31 14 35 o 16.15650 7.223610 12.70569       23.39544 -1.254655      32.25953 28.19457       33.97974 15.59041 7.458950 18.77875 8.522201 -3.188340      11.32536 
1 1 1 -31 14 36 o 17.43193 7.521752 20.72031       23.38589 30.60209       32.85249 10.56915       33.29728 18.97373 8.515712 16.71609 7.873983 2.257639       11.59815 
1 1 1 -31 15 1  o 18.57615 7.829583 17.78183       24.30664 2.636000       37.06509 29.21000       32.19638 18.21129 8.490523 21.14654 8.966705 -2.935251      12.34872 
1 1 1 -31 15 2  o 31.89622 8.102592 69.60145       25.34258 41.38000       36.81077 95.03000       34.94186 23.11464 9.682137 34.85881 9.822368 -11.74417      13.79212 
1 1 1 -31 15 3  o 34.38345 10.76489 102.4000       40.26090 102.4000       40.26090 0.000000       0.000000 34.38345 10.76489 ?        ?        ?              ?        
1 1 1 -31 15 4  o 18.21944 8.130482 11.69157       29.48998 11.69157       29.48998 0.000000       0.000000 18.21944 8.130482 ?        ?        ?              ?        
1 1 1 -31 15 5  o 13.10722 6.208426 -13.13971      21.23972 -4.088745      27.79611 -25.84000      32.92633 15.87143 7.383828 14.92270 7.237369 0.9487305      10.33927 
1 1 1 -31 15 6  o 39.27096 5.663392 89.64639       21.14143 82.74873       30.56225 95.97575       29.27621 33.41308 9.100420 37.57303 8.191894 -4.159950      12.24438 
1 1 1 -31 15 7  o 33.96787 6.387486 70.14506       20.45820 43.79290       29.74732 93.79471       28.18073 23.88563 9.129867 37.47948 7.929457 -13.59384      12.09259 
1 1 1 -31 15 8  o 29.53491 7.086254 55.97935       20.22355 34.79107       30.07685 73.46401       27.32204 22.03327 8.939651 32.14682 8.539363 -10.11354      12.36277 
1 1 1 -31 15 9  o 15.31564 6.736693 5.158153       19.53999 -14.27490      29.00702 21.30226       26.43867 15.03508 7.159882 19.37854 8.166650 -4.343462      10.86085 
1 1 1 -31 15 10 o 16.52926 7.002236 11.37409       19.60315 -7.493789      29.57824 26.15350       26.17817 15.81629 7.441172 20.24992 8.293264 -4.433622      11.14223 
1 1 1 -31 15 11 o 21.83434 7.687717 32.52070       20.40566 -3.189192      30.29270 62.18473       27.60951 16.35750 7.642572 28.65149 8.905967 -12.29399      11.73564 
1 1 1 -31 15 12 o 13.75392 6.333206 -3.974882      19.68242 3.406499       29.29196 -10.05096      26.57610 16.89366 7.759601 14.79446 6.988792 2.099194       10.44292 
1 1 1 -31 15 13 o 28.37393 7.570431 54.64912       21.41436 64.06254       31.47602 46.53743       29.21876 27.76358 9.561973 24.16456 9.091458 3.599018       13.19416 
1 1 1 -31 15 14 o 47.91061 5.088015 130.6680       23.49646 84.28438       33.36395 176.3087       33.09571 31.92634 9.766829 53.56696 6.441098 -21.64062      11.69952 
1 1 1 -31 15 15 o 9.884231 4.940634 -42.14672      19.82172 -60.53850      28.34901 -24.55483      27.72568 11.39613 5.726273 13.57398 6.596673 -2.177850      8.735347 
1 1 1 -31 15 16 o 22.34514 7.881620 35.88963       21.45516 -15.88779      29.94172 90.53281       30.75916 14.80554 7.110485 34.49511 9.012253 -19.68956      11.47953 
1 1 1 -31 15 17 o 16.74195 7.175797 12.70096       21.01491 -14.53801      29.09686 42.40326       30.38406 14.72882 7.056680 22.81018 9.077909 -8.081366      11.49805 
1 1 1 -31 15 18 o 25.07189 7.953108 45.89862       21.90769 0.2819966      30.28097 95.99935       31.73440 16.38319 7.650142 35.21885 9.130558 -18.83566      11.91183 
1 1 1 -31 15 19 o 20.80084 7.889892 30.98141       22.10888 25.37879       31.42198 36.47462       31.11366 19.68926 8.604799 21.48600 8.943210 -1.796734      12.41062 
1 1 1 -31 15 20 o 17.21862 7.312919 15.17220       21.47384 -27.14929      29.59032 62.25875       31.21171 13.72555 6.702317 26.78787 9.500880 -13.06232      11.62703 
1 1 1 -31 15 21 o 18.40302 7.782982 19.91506       24.15111 17.12119       29.83091 25.23000       41.14459 18.41650 8.200512 20.09070 9.216385 -1.674204      12.33654 
1 1 1 -31 15 22 o 22.15121 8.356822 37.82626       24.72512 37.88321       30.64283 37.72000       41.85635 21.64957 8.930764 21.30397 9.582638 0.3456039      13.09906 
1 1 1 -31 15 23 o 20.06821 8.180633 28.93007       25.32628 28.85501       30.69933 29.09000       44.81222 20.05133 8.634719 20.35409 9.437039 -0.3027592     12.79125 
1 1 1 -31 15 24 f 19.00031 8.418751 21.91476       31.05168 21.91476       31.05168 0.000000       0.000000 19.00031 8.418751 ?        ?        ?              ?        
1 1 1 -31 15 25 o 20.02451 8.187306 29.09140       25.46062 8.325608       30.92852 72.75000       44.84561 17.18209 7.921564 25.30017 10.64768 -8.118084      13.27118 
1 1 1 -31 15 26 o 14.86321 6.930658 -2.550560      24.71261 -20.59749      30.13078 34.54000       43.19569 14.22580 6.904968 20.74903 9.490218 -6.523230      11.73639 
1 1 1 -31 15 27 o 32.40998 9.286722 86.15998       30.97399 51.44000       41.02301 132.2000       47.23952 22.76539 9.892165 34.58527 11.71891 -11.81987      15.33583 
1 1 1 -31 15 28 o 25.01781 8.235480 48.57662       23.35598 62.96759       33.23828 34.54021       32.82627 25.79988 9.698810 20.69860 8.921277 5.101280       13.17786 
1 1 1 -31 15 29 o 19.72104 7.830891 28.30498       22.56088 2.407521       32.05180 53.73619       31.76197 16.48970 7.754273 24.03961 9.368113 -7.549904      12.16102 
1 1 1 -31 15 30 o 21.93159 8.094556 37.54143       22.94654 45.51158       32.51090 29.62944       32.39206 22.34766 9.206847 19.81164 8.695313 2.536018       12.66391 
1 1 1 -31 15 31 o 15.48584 6.985659 6.678137       22.42672 -9.137337      31.21113 23.56035       32.24654 15.17848 7.281747 18.84226 8.448317 -3.663775      11.15338 
1 1 1 -31 15 32 o 17.58064 7.774850 18.01711       26.36040 1.981587       31.47573 55.68000       48.23821 16.13122 7.615889 21.84871 10.00659 -5.717491      12.57512 
1 1 1 -31 15 33 o 12.22238 5.942627 -19.55663      22.57198 -40.34194      31.83656 1.452271       32.00733 12.88517 6.412076 16.00715 7.593523 -3.121984      9.938627 
1 1 1 -31 15 34 o 12.79260 6.150221 -12.58423      22.53601 -34.65036      31.07542 11.89482       32.73039 12.96005 6.429933 16.92528 7.919667 -3.965222      10.20123 
1 1 1 -31 15 35 o 14.12770 6.621598 -1.072731      23.04035 2.344623       31.76670 -4.865870      33.46775 15.78584 7.510421 15.36459 7.413942 0.4212484      10.55334 
1 1 1 -31 16 1  o 29.04571 8.477979 60.59896       25.59492 23.84000       36.65372 95.58000       35.75632 20.49605 9.110456 34.48211 10.00787 -13.98606      13.53359 
1 1 1 -31 16 2  o 28.85062 8.041608 57.64600       23.55564 50.49374       30.75233 67.80000       36.64163 25.19917 9.357851 27.81551 10.23524 -2.616341      13.86829 
1 1 1 -31 16 3  o 18.89884 7.698162 20.60105       22.40678 0.7005450      28.80194 51.11000       35.66181 16.61428 7.654232 24.71064 9.834606 -8.096367      12.46221 
1 1 1 -31 16 4  o 14.65530 6.817074 -5.961006      23.67957 27.38000       33.69893 -38.48000      33.28092 20.80265 9.002803 14.06932 6.918771 6.733336       11.35429 
1 1 1 -31 16 5  o 20.86791 8.677874 28.88430       29.25575 28.88430       29.25575 0.000000       0.000000 20.86791 8.677874 ?        ?        ?              ?        
1 1 1 -31 16 6  o 26.47512 8.075664 49.37438       22.83169 28.18359       29.17656 82.85000       36.67117 20.71427 8.644150 30.95524 10.32399 -10.24097      13.46499 
1 1 1 -31 16 7  o 25.29810 8.198183 45.91867       23.18845 28.52026       30.35470 70.30000       35.93353 20.75522 8.748911 28.29180 10.17619 -7.536577      13.42007 
1 1 1 -31 16 8  o 24.33940 8.324216 43.27931       23.84302 -0.6810287     30.83957 108.6000       37.59266 16.69796 7.771460 36.42445 10.16121 -19.72649      12.79241 
1 1 1 -31 16 9  o 24.90525 7.741522 43.13283       20.86166 52.28737       31.26560 35.78648       28.00814 25.19313 9.419897 22.02096 8.731285 3.172171       12.84406 
1 1 1 -31 16 10 o 21.65252 7.700215 32.33650       20.51435 23.29397       30.92827 39.43993       27.41224 19.76723 8.589318 22.78979 8.750823 -3.022562      12.26186 
1 1 1 -31 16 11 o 21.45459 7.691499 31.83743       20.50929 -9.556027      30.21236 67.21523       27.93085 15.54890 7.376542 29.62131 8.910448 -14.07241      11.56760 
1 1 1 -31 16 12 o 20.71042 7.667311 29.44031       20.61587 16.99546       30.14015 40.38171       28.26097 18.62954 8.272203 22.74081 8.843874 -4.111273      12.10964 
1 1 1 -31 16 13 o 21.67535 7.876240 33.55304       21.59538 13.04335       30.90779 53.11590       30.18594 18.09437 8.178000 25.15750 9.284236 -7.063124      12.37242 
1 1 1 -31 16 14 o 19.21230 7.620276 23.95104       21.34078 8.278262       30.16631 39.65317       30.19454 17.37818 7.941765 22.30213 8.989993 -4.923950      11.99548 
1 1 1 -31 16 15 o 22.44484 7.986048 36.71655       22.06820 17.11807       31.34858 55.97020       31.07157 18.63979 8.345785 25.55346 9.421366 -6.913677      12.58627 
1 1 1 -31 16 16 o 10.59339 5.251880 -35.37690      20.58702 6.556554       28.70936 -79.76345      29.53717 16.87197 7.724445 10.77837 5.465988 6.093603       9.462773 
1 1 1 -31 16 17 f 12.77650 6.068779 -11.96407      20.57382 8.613228       28.66370 -33.83063      29.54801 17.08064 7.781070 13.20805 6.499940 3.872595       10.13875 
1 1 1 -31 16 18 o 11.52899 5.617172 -23.54249      20.45762 -16.97984      28.04463 -31.00623      29.90808 14.19537 6.833870 13.49538 6.620850 0.6999817      9.515117 
1 1 1 -31 16 19 o 25.64717 8.091411 48.68486       22.70396 17.31741       31.39694 83.06509       32.87019 18.56137 8.328235 31.24768 9.718181 -12.68631      12.79854 
1 1 1 -31 16 20 o 22.50451 8.366704 38.85377       24.59614 37.10062       30.27112 42.26000       42.19460 21.62391 8.893791 21.94681 9.763914 -0.3229046     13.20733 
1 1 1 -31 16 21 o 13.83163 6.569213 -10.62028      24.09319 -4.004845      29.97741 -22.69000      40.49146 15.74507 7.433228 15.91841 7.787459 -0.1733389     10.76556 
1 1 1 -31 16 22 o 19.69163 8.616446 26.53643       31.59232 26.53643       31.59232 0.000000       0.000000 19.69163 8.616446 ?        ?        ?              ?        
1 1 1 -31 16 23 o 14.19764 6.897969 -21.42880      30.26355 -21.42880      30.26355 0.000000       0.000000 14.19764 6.897969 ?        ?        ?              ?        
1 1 1 -31 16 24 o 27.38237 8.715133 60.02935       26.28844 62.09534       32.29250 55.97000       45.26537 26.00732 9.601867 23.01718 10.18323 2.990149       13.99622 
1 1 1 -31 16 25 o 21.44782 8.412753 36.10087       25.75197 32.16704       32.10360 43.20000       43.12696 20.42910 8.813943 21.63079 9.728546 -1.201691      13.12746 
1 1 1 -31 16 26 o 16.67320 7.632638 7.681782       28.02119 -25.30000      36.76624 53.39000       43.28219 15.07392 7.384018 22.78373 10.02376 -7.709809      12.44988 
1 1 1 -31 16 27 o 18.71584 7.977355 22.96072       25.71277 -8.854172      31.91319 81.83000       43.41096 15.46516 7.404339 26.63655 10.76437 -11.17140      13.06506 
1 1 1 -31 16 28 o 18.89242 7.730665 24.71141       22.72246 16.72462       31.91680 32.91981       32.35654 18.05298 8.218874 20.28133 8.799255 -2.228346      12.04063 
1 1 1 -31 16 29 o 15.33370 6.922098 5.789262       22.06729 4.039316       31.01963 7.582339       31.39957 16.48619 7.712814 16.91772 7.862869 -0.4315281     11.01418 
1 1 1 -31 16 30 o 29.36873 7.895428 63.79973       23.18409 61.92750       32.32506 65.78300       33.26984 25.38294 9.559784 25.93312 9.712932 -0.5501785     13.62830 
1 1 1 -31 16 31 o 13.37723 6.347159 -8.388552      22.38367 -20.12034      30.01383 6.313672       33.59934 13.94314 6.795703 16.79180 7.909636 -2.848661      10.42804 
1 1 1 -31 16 32 o 13.79949 6.474041 -3.630491      22.11618 3.610465       30.67939 -11.46446      31.91096 16.05051 7.559741 14.85582 7.185772 1.194693       10.43001 
1 1 1 -31 16 33 o 19.12273 7.782997 28.58648       22.88103 30.27635       31.94744 26.80672       32.78617 19.10868 8.498936 18.64717 8.425817 0.4615078      11.96772 
1 1 1 -31 16 34 o 19.73412 7.987672 32.65085       23.94648 34.66605       33.89214 30.64199       33.83879 19.42529 8.689066 18.91492 8.552140 0.5103722      12.19176 
1 1 1 -31 17 1  o 32.22673 6.724752 65.37716       20.52597 9.422391       30.80833 110.0398       27.52464 17.84797 8.105698 41.67210 6.995568 -23.82412      10.70702 
1 1 1 -31 17 2  o 47.36764 7.938527 150.6394       35.50565 150.6394       35.50565 0.000000       0.000000 47.36764 7.938527 ?        ?        ?              ?        
1 1 1 -31 17 3  o 46.26279 6.205477 129.1894       27.39241 101.6964       32.97522 190.4000       49.20277 36.82656 9.180418 48.07306 10.72872 -11.24651      14.12039 
1 1 1 -31 17 4  o 24.79419 8.195159 44.67242       23.11982 73.56243       30.48058 5.532000       35.47825 30.50443 9.335916 17.98549 8.358739 12.51894       12.53107 
1 1 1 -31 17 5  o 29.17280 8.676441 63.57232       26.59780 21.73000       37.41961 106.3000       37.81342 19.95358 9.010195 35.51773 10.28680 -15.56416      13.67486 
1 1 1 -31 17 6  o 31.56870 7.857282 68.54654       24.18291 25.90085       30.63170 139.1000       39.39968 20.12335 8.644937 42.45090 9.695339 -22.32755      12.98979 
1 1 1 -31 17 7  o 16.38580 7.630410 -0.7716914     29.79537 -0.7716914     29.79537 0.000000       0.000000 16.38580 7.630410 ?        ?        ?              ?        
1 1 1 -31 17 8  o 32.69272 7.860572 73.61754       24.84355 93.97642       32.47001 44.87000       38.58387 34.77206 9.341887 22.87377 9.761527 11.89829       13.51141 
1 1 1 -31 17 9  o 38.36151 7.266191 96.21004       26.28545 56.54976       33.87781 156.2000       41.66550 25.27520 9.722299 44.65709 9.801408 -19.38189      13.80546 
1 1 1 -31 17 10 o 16.13208 7.240078 6.457940       23.74491 1.147791       31.30670 13.65000       36.43431 16.72245 7.798643 18.70190 8.613423 -1.979448      11.61938 
1 1 1 -31 17 11 o 18.48089 7.771065 20.06078       23.85510 34.43994       30.70522 -1.833000      37.88838 21.28632 8.874122 17.32896 8.232460 3.957359       12.10469 
1 1 1 -31 17 12 o 36.95954 7.470676 91.26185       26.09610 86.40179       33.53772 98.72000       41.54596 31.99544 9.793046 31.48592 10.97809 0.5095215      14.71129 
1 1 1 -31 17 13 o 39.17109 7.200567 100.4886       26.59117 78.74596       34.10482 134.2000       42.46661 29.82613 9.956376 38.73517 10.79764 -8.909037      14.68736 
1 1 1 -31 17 14 o 23.72183 8.852666 45.76739       27.58682 29.90141       31.77532 94.33000       55.59140 20.38957 8.782597 26.75984 11.57198 -6.370274      14.52738 
1 1 1 -31 17 15 o 22.80261 8.061389 38.88482       22.45514 10.39899       31.23440 69.35764       32.30541 17.60527 8.058970 27.99318 9.685064 -10.38791      12.59950 
1 1 1 -31 17 16 o 18.17268 7.565836 19.73307       22.27524 -1.715720      31.18809 42.06750       31.82548 16.25226 7.644633 22.38029 9.152443 -6.128035      11.92508 
1 1 1 -31 17 17 o 27.86905 8.371052 58.54900       24.66492 69.05285       31.05115 40.59000       40.60175 28.39441 9.500598 21.76382 9.635792 6.630585       13.53181 
1 1 1 -31 17 18 o 21.03959 8.295028 32.91777       25.14828 30.69516       31.91188 36.56000       40.85121 20.47981 8.811239 21.26528 9.523782 -0.7854729     12.97460 
1 1 1 -31 17 19 o 20.64153 8.243989 31.59137       25.14613 39.56374       31.75681 18.19000       41.17350 21.82232 9.055106 19.18968 8.947353 2.632635       12.72989 
1 1 1 -31 17 20 o 17.57254 7.651891 16.07684       24.65497 15.31543       30.90372 17.41000       40.89242 18.05417 8.166945 19.01962 8.884141 -0.9654522     12.06760 
1 1 1 -31 17 21 f 16.20731 7.607808 -0.2750597     30.61218 -0.2750597     30.61218 0.000000       0.000000 16.20731 7.607808 ?        ?        ?              ?        
1 1 1 -31 17 22 o 15.35104 7.320763 -8.291063      30.54830 -8.291063      30.54830 0.000000       0.000000 15.35104 7.320763 ?        ?        ?              ?        
1 1 1 -31 17 23 o 19.53341 8.104667 26.92454       25.43724 2.756178       31.36832 73.34000       43.47094 16.56926 7.753095 25.49962 10.58883 -8.930368      13.12379 
1 1 1 -31 17 24 o 16.63275 7.664743 6.499279       28.90782 12.23000       39.46600 -0.1345000     42.46186 18.32285 8.612616 17.56577 8.444253 0.7570839      12.06161 
1 1 1 -31 17 25 o 31.10526 9.432601 82.13407       31.21061 29.11000       43.15199 140.3000       45.19585 20.06801 9.289122 37.19588 11.36528 -17.12787      14.67847 
1 1 1 -31 17 26 o 21.67711 8.550844 38.42836       26.73582 44.36201       34.09925 28.96000       43.07460 22.05912 9.284238 19.92386 9.242644 2.135256       13.10052 
1 1 1 -31 17 27 o 19.15554 7.802117 26.08134       23.01388 13.01317       32.71318 38.88659       32.38243 17.64489 8.139227 21.17015 8.985299 -3.525255      12.12364 
1 1 1 -31 17 28 o 14.53535 6.710866 0.8767641E-01  22.31073 8.582879       31.02823 -9.006523      32.10350 16.96198 7.860264 15.37020 7.376708 1.591786       10.77959 
1 1 1 -31 17 29 o 22.56687 8.132556 40.58726       22.96290 37.78944       31.35388 43.82415       33.72445 20.92073 8.858794 21.72267 9.192480 -0.8019352     12.76636 
1 1 1 -31 17 30 o 15.54739 7.249404 2.630607       27.03369 78.58000       52.68408 -24.51414      31.49634 23.57321 10.66346 13.88821 6.809632 9.685001       12.65229 
1 1 1 -31 17 31 o 17.30465 7.415386 18.84029       22.43277 61.90812       31.15863 -27.50606      32.32285 25.06082 9.396910 13.74731 6.771715 11.31351       11.58266 
1 1 1 -31 17 32 o 14.83407 6.800854 4.698311       22.35788 -65.69699      30.81388 82.96171       32.49032 11.31663 5.721292 28.99393 9.718525 -17.67730      11.27754 
1 1 1 -31 17 33 o 14.58758 6.718792 4.039986       22.17199 17.51920       31.42480 -9.321702      31.28750 17.25385 7.965448 14.64558 7.091560 2.608271       10.66483 
1 1 1 -31 17 34 o 18.23985 7.979343 26.76121       27.07932 33.20457       32.28750 11.48000       49.72297 19.02704 8.498007 17.41215 8.541282 1.614891       12.04864 
1 1 1 -31 18 1  o 31.11893 6.914771 62.65075       20.51564 37.64775       30.50793 83.29153       27.71914 21.95016 8.966920 34.01055 8.381341 -12.06038      12.27406 
1 1 1 -31 18 2  o 34.41396 6.382001 73.46281       20.70660 23.70332       30.56260 115.6846       28.15273 19.58532 8.524014 42.43523 7.023241 -22.84991      11.04467 
1 1 1 -31 18 3  o 29.59684 7.103245 57.76091       20.31589 24.50860       30.53078 84.18481       27.21607 19.69628 8.546398 34.48897 8.185452 -14.79269      11.83396 
1 1 1 -31 18 4  o 14.88701 6.614670 4.483632       19.30309 23.40989       28.89124 -10.77751      25.94343 19.42097 8.370042 14.40399 6.834020 5.016972       10.80562 
1 1 1 -31 18 5  o 14.23984 6.500014 -0.6323662     20.13167 -41.25145      31.14517 28.51794       26.38439 13.16313 6.514088 20.24792 8.312879 -7.084796      10.56112 
1 1 1 -31 18 6  o 35.18298 7.477220 83.01085       24.95556 72.33806       33.05871 97.15000       38.05036 28.74746 9.802504 32.58453 10.49685 -3.837074      14.36220 
1 1 1 -31 18 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -31 18 8  o 21.42587 8.992721 35.61104       31.85275 35.61104       31.85275 0.000000       0.000000 21.42587 8.992721 ?        ?        ?              ?        
1 1 1 -31 18 9  o 27.39127 8.748042 58.61231       26.46913 58.28785       32.34579 59.27000       46.05195 25.71503 9.587984 23.96198 10.44562 1.753046       14.17887 
1 1 1 -31 18 10 o 14.52940 6.804639 -5.701141      24.25293 30.14569       31.56405 -57.37000      37.89499 20.48196 8.786860 13.66541 6.830754 6.816546       11.12960 
1 1 1 -31 18 11 o 14.27773 6.716758 -7.235394      24.09070 20.46175       31.18294 -48.24000      37.94162 18.95111 8.414590 14.10254 7.014921 4.848567       10.95511 
1 1 1 -31 18 12 f 14.54710 6.810951 -5.134804      24.26834 -14.47828      31.53292 8.440000       38.00816 15.11154 7.267639 18.10901 8.493064 -2.997478      11.17814 
1 1 1 -31 18 13 o 30.44344 8.304678 68.62090       25.42780 53.26493       32.46802 92.98000       40.89288 24.37956 9.479839 30.06335 10.85025 -5.683798      14.40817 
1 1 1 -31 18 14 o 17.59733 7.653994 15.68261       24.60975 28.06105       31.67686 -3.164000      39.08640 20.01642 8.695167 17.19041 8.220626 2.826006       11.96598 
1 1 1 -31 18 15 o 19.29752 7.982963 24.73691       24.57729 -0.6263071     31.14217 66.62000       40.01899 16.35390 7.675594 25.53921 10.33011 -9.185310      12.86957 
1 1 1 -31 18 16 o 13.84193 6.557438 -10.06655      23.71231 -15.00860      29.95475 -1.772000      38.80688 14.75642 7.093397 17.28925 8.246776 -2.532827      10.87776 
1 1 1 -31 18 17 o 21.56637 8.260205 35.43835       24.38297 41.72789       30.63117 24.56000       40.28427 22.30159 9.031438 19.77716 9.089840 2.524426       12.81375 
1 1 1 -31 18 18 o 12.28911 6.007656 -26.17223      23.97047 -18.53276      30.25192 -39.06000      39.29256 14.42209 6.980913 14.71265 7.287285 -0.2905598     10.09146 
1 1 1 -31 18 19 o 13.43008 6.457953 -16.11491      24.87546 -11.01102      31.06272 -25.24000      41.53435 15.22143 7.292287 15.85387 7.782876 -0.6324396     10.66539 
1 1 1 -31 18 20 o 18.30550 8.272892 17.23724       31.62322 17.23724       31.62322 0.000000       0.000000 18.30550 8.272892 ?        ?        ?              ?        
1 1 1 -31 18 21 o 18.07069 8.207592 15.76111       31.59662 15.76111       31.59662 0.000000       0.000000 18.07069 8.207592 ?        ?        ?              ?        
1 1 1 -31 18 22 o 14.75763 6.865905 -1.889830      24.03684 -12.78077      29.86247 18.15000       40.50794 14.78474 7.100645 18.93896 8.845085 -4.154219      11.34261 
1 1 1 -31 18 23 o 24.96544 9.214108 55.24412       29.73269 31.55000       40.84208 81.96000       43.36828 20.25187 9.249619 26.70289 10.77051 -6.451023      14.19716 
1 1 1 -31 18 24 o 17.99760 8.092620 16.74596       29.82276 14.30000       41.72717 19.30000       42.63912 18.59648 8.776469 19.08548 8.965133 -0.4890003     12.54592 
1 1 1 -31 18 25 o 15.86303 7.280583 5.146373       25.71894 4.241946       32.58007 6.642000       41.89641 16.70851 7.844804 17.84267 8.526677 -1.134157      11.58642 
1 1 1 -31 18 26 o 24.85422 8.732012 52.24866       26.31582 55.63773       32.71915 46.04000       44.28546 24.06096 9.469150 21.43501 9.728231 2.625946       13.57583 
1 1 1 -31 18 27 o 16.27931 7.186351 11.51607       22.42344 17.91033       31.20667 4.690608       32.24173 18.07225 8.187841 16.65571 7.814921 1.416540       11.31873 
1 1 1 -31 18 28 o 20.28553 8.344136 33.04382       26.64850 29.49954       32.53386 40.27000       46.45428 19.54371 8.640469 20.59954 9.570583 -1.055828      12.89394 
1 1 1 -31 18 29 o 15.55741 7.272805 2.374169       27.49521 -19.19000      52.22774 10.64206       32.33942 16.78045 8.327169 17.04812 7.942410 -0.2676697     11.50755 
1 1 1 -31 18 30 o 20.18465 7.939019 32.71870       22.98757 60.07486       32.80017 6.311766       32.22609 24.15840 9.488925 16.44749 7.747100 7.710907       12.24979 
1 1 1 -31 18 31 o 21.22899 8.045835 37.88605       22.98044 49.42485       32.82226 26.79055       32.18559 21.90361 9.156440 18.58932 8.378672 3.314289       12.41139 
1 1 1 -31 18 32 f 15.03849 6.869494 6.987956       22.53776 13.72927       32.06189 0.4030287      31.68781 16.83535 7.864769 15.49826 7.408813 1.337090       10.80486 
1 1 1 -31 18 33 o 14.24170 6.796148 -3.999065      26.41632 15.88327       31.62209 -49.92000      48.05762 16.89840 7.866329 14.48118 7.299598 2.417213       10.73141 
1 1 1 -31 19 1  o 36.16195 6.263622 80.75538       21.36819 18.22715       30.81264 138.6881       29.65874 18.68440 8.326161 46.93642 6.640866 -28.25202      10.65017 
1 1 1 -31 19 2  o 43.53935 5.247238 109.8108       21.91209 50.64766       31.73468 163.7183       30.29236 24.19282 9.381905 51.92023 6.075344 -27.72740      11.17721 
1 1 1 -31 19 3  o 28.56185 7.307435 55.21031       20.51054 45.96476       31.32308 62.15012       27.13763 23.30598 9.235855 28.09878 8.843764 -4.792803      12.78723 
1 1 1 -31 19 4  o 35.03751 6.498720 77.14076       21.46736 82.97194       33.96555 73.26196       27.70192 30.81605 9.916529 30.95072 8.754300 -0.1346760     13.22782 
1 1 1 -31 19 5  o 37.92033 6.144113 88.19089       22.02569 79.36234       34.16056 94.47267       28.81522 29.82464 9.964683 36.29752 8.292421 -6.472881      12.96376 
1 1 1 -31 19 6  o 15.06330 6.766330 4.036580       20.78945 -13.24664      31.81096 16.92146       27.46658 15.29162 7.340051 18.12960 7.980287 -2.837973      10.84257 
1 1 1 -31 19 7  o 36.87428 6.592969 86.14080       22.92283 26.61038       33.68682 137.4756       31.28214 19.89178 8.793393 45.70521 7.232820 -25.81344      11.38584 
1 1 1 -31 19 8  o 15.15197 6.829408 3.970063       21.38375 3.185191       31.48344 4.642222       29.13525 16.79408 7.828242 16.61986 7.671698 0.1742191      10.96067 
1 1 1 -31 19 9  o 16.70181 7.457107 10.10878       24.84132 13.29428       32.14252 5.384000       39.14546 18.00801 8.217446 17.89190 8.460988 0.1161022      11.79469 
1 1 1 -31 19 10 o 15.86198 7.508977 -4.787427      30.98613 -4.787427      30.98613 0.000000       0.000000 15.86198 7.508977 ?        ?        ?              ?        
1 1 1 -31 19 11 o 39.16189 7.457458 103.2681       27.54274 44.81650       34.10910 212.8000       46.69197 22.58792 9.379648 52.48515 9.435493 -29.89722      13.30437 
1 1 1 -31 19 12 o 24.43751 8.602184 47.53041       25.54783 42.07269       32.70084 56.08000       40.92849 22.24674 9.206104 23.70021 10.08197 -1.453470      13.65278 
1 1 1 -31 19 13 o 26.03397 8.584817 53.23311       25.37553 52.11961       32.81247 54.89000       40.02582 24.10734 9.484092 23.64793 10.01120 0.4594059      13.79029 
1 1 1 -31 19 14 o 18.70008 7.849178 21.96370       24.26928 22.84993       30.79082 20.51000       39.43526 19.18672 8.447372 19.36610 8.934347 -0.1793766     12.29556 
1 1 1 -31 19 15 o 20.10745 8.144477 29.31308       24.91569 46.14489       31.85423 2.786000       39.98956 22.93012 9.237067 17.66720 8.411472 5.262918       12.49305 
1 1 1 -31 19 16 o 31.28034 8.320370 73.06549       25.91674 42.47886       32.44365 127.0000       43.08214 22.11815 9.162915 35.76109 11.12646 -13.64294      14.41378 
1 1 1 -31 19 17 o 15.91866 7.211075 6.232901       24.19454 -14.16730      30.14716 43.15000       40.55487 14.75000 7.096935 21.73050 9.625171 -6.980498      11.95870 
1 1 1 -31 19 18 f 16.71994 7.778907 4.784261       30.85532 4.784261       30.85532 0.000000       0.000000 16.71994 7.778907 ?        ?        ?              ?        
1 1 1 -31 19 19 o 19.21466 8.527742 24.47669       31.99096 24.47669       31.99096 0.000000       0.000000 19.21466 8.527742 ?        ?        ?              ?        
1 1 1 -31 19 20 o 18.28284 7.838191 20.61829       25.08527 12.45414       31.22055 35.49000       42.13718 17.59519 8.055418 20.68116 9.426277 -3.085970      12.39937 
1 1 1 -31 19 21 o 21.72462 8.435116 37.83663       25.67691 44.03063       33.00489 28.34000       40.86743 22.17369 9.218707 19.88536 9.145357 2.288332       12.98546 
1 1 1 -31 19 22 o 18.80708 8.266131 22.72917       29.36808 26.52000       40.37486 18.47000       42.79630 19.66388 9.060372 18.99723 8.941763 0.6666508      12.72971 
1 1 1 -31 19 23 f 20.12776 8.295621 30.82492       26.40803 31.95002       33.86807 29.08000       42.17773 20.17864 8.872645 19.90388 9.202779 0.2747593      12.78339 
1 1 1 -31 19 24 o 24.23092 8.806158 50.55587       26.99714 45.28522       34.32092 59.11000       43.72350 21.97828 9.285704 22.95972 10.08887 -0.9814434     13.71166 
1 1 1 -31 19 25 o 16.06525 7.360536 6.781949       26.13232 39.59159       32.85063 -49.76000      43.12492 21.13724 9.013393 14.53345 7.267991 6.603791       11.57864 
1 1 1 -31 19 26 o 22.20037 8.199017 39.55925       23.54914 49.07425       32.89629 29.55807       33.72625 22.73198 9.301739 19.64655 8.735597 3.085436       12.76060 
1 1 1 -31 19 27 f 16.13918 7.400381 7.856955       26.48785 6.233968       32.26775 11.21000       46.38000 16.64728 7.813221 18.17195 8.758368 -1.524668      11.73693 
1 1 1 -31 19 28 o 13.12918 6.259412 -9.912797      22.30004 11.07344       31.35091 -31.40487      31.72649 16.95484 7.872139 13.41834 6.628326 3.536500       10.29103 
1 1 1 -31 19 29 o 20.20099 7.960855 33.11967       23.15365 33.96877       32.52206 32.24697       32.97097 19.71680 8.681147 19.46358 8.646719 0.2532158      12.25268 
1 1 1 -31 19 30 o 12.33449 5.962954 -15.18441      21.89967 -16.36522      31.38679 -14.06418      30.57094 14.19110 6.923785 14.23163 6.918706 -0.4052544E-01 9.788119 
1 1 1 -31 19 31 o 13.27486 6.313839 -6.555593      22.41617 -40.79788      31.49559 28.59589       31.91099 12.55231 6.267155 18.54095 8.351095 -5.988631      10.44117 
1 1 1 -31 19 32 o 18.15013 7.964675 26.59987       27.16636 14.42016       32.19228 56.73000       50.63300 16.73332 7.837741 20.28016 9.599989 -3.546835      12.39314 
1 1 1 -31 20 1  o 24.18979 7.756868 42.60118       20.79509 6.936737       30.49235 73.61084       28.43293 17.03476 7.857897 30.44726 8.949085 -13.41250      11.90935 
1 1 1 -31 20 2  o 18.12033 7.306616 20.42626       19.95228 -19.28242      29.86847 52.42373       26.81192 14.32890 6.935979 25.33672 8.820078 -11.00782      11.22059 
1 1 1 -31 20 3  o 20.33678 7.605721 29.18397       20.38465 34.10588       31.41097 25.60286       26.79308 20.90418 8.859985 19.43828 8.208068 1.465897       12.07774 
1 1 1 -31 20 4  o 18.86382 7.428450 23.47223       20.14719 -14.64075      30.63221 52.52882       26.74633 14.87420 7.155952 25.37807 8.810760 -10.50387      11.35064 
1 1 1 -31 20 5  o 24.82771 7.819632 45.04222       21.21282 23.56141       32.48439 61.01247       28.00949 19.33045 8.585403 27.21027 9.021229 -7.879827      12.45358 
1 1 1 -31 20 6  o 25.45659 7.903088 47.60363       21.74902 40.18599       32.98542 53.30867       28.92796 21.85515 9.160632 25.03326 9.112979 -3.178106      12.92144 
1 1 1 -31 20 7  o 16.64636 7.170084 12.95451       21.17744 -15.30015      31.74212 35.62000       28.42977 15.03143 7.244953 21.29736 8.672742 -6.265927      11.30070 
1 1 1 -31 20 8  o 26.31765 7.916339 50.67693       22.04654 32.38844       32.92937 65.53439       29.68019 20.62374 8.912358 27.81797 9.288140 -7.194233      12.87244 
1 1 1 -31 20 9  o 28.88910 7.917595 60.12767       23.05031 39.03120       33.89333 78.28149       31.44078 21.65219 9.191317 30.41759 9.511410 -8.765400      13.22676 
1 1 1 -31 20 10 o 38.04700 7.069288 94.94645       25.35818 116.6000       41.67130 82.21252       31.95610 34.65091 10.96593 31.19160 9.561671 3.459314       14.54913 
1 1 1 -31 20 11 o 42.80185 5.957881 111.4654       24.28525 60.17741       34.30059 163.0169       34.38863 25.33891 9.773346 49.55206 7.309221 -24.21315      12.20422 
1 1 1 -31 20 12 o 16.00939 7.557247 -2.683235      30.97164 -2.683235      30.97164 0.000000       0.000000 16.00939 7.557247 ?        ?        ?              ?        
1 1 1 -31 20 13 o 14.26549 6.707554 -6.003006      23.97042 3.428913       30.23936 -21.95000      39.31987 16.49132 7.682067 15.70408 7.680773 0.7872419      10.86317 
1 1 1 -31 20 14 f 26.39355 8.499888 55.07755       24.95109 18.29657       30.87635 124.3000       42.35823 18.34922 8.243881 35.42809 11.03412 -17.07887      13.77365 
1 1 1 -31 20 15 o 23.56792 8.526327 44.83920       25.27062 25.18360       31.81813 78.42000       41.58886 19.36363 8.553599 26.69292 10.62147 -7.329292      13.63744 
1 1 1 -31 20 16 o 17.04427 7.540420 13.33439       24.81679 -21.68825      30.75230 78.73000       42.02207 14.21387 6.916685 26.55909 10.64031 -12.34522      12.69081 
1 1 1 -31 20 17 o 25.20030 9.561067 59.55006       32.47161 59.55006       32.47161 0.000000       0.000000 25.20030 9.561067 ?        ?        ?              ?        
1 1 1 -31 20 18 o 16.63821 7.755380 4.737080       30.89682 4.737080       30.89682 0.000000       0.000000 16.63821 7.755380 ?        ?        ?              ?        
1 1 1 -31 20 19 o 12.11117 5.932431 -26.74150      23.72336 -35.66326      29.48725 -10.37000      39.94417 12.90909 6.379235 16.46800 7.983191 -3.558904      10.21890 
1 1 1 -31 20 20 o 21.61300 8.695318 38.87047       28.18823 5.132000       38.90850 76.14000       40.89393 17.53027 8.332240 26.18421 10.49433 -8.653944      13.39990 
1 1 1 -31 20 21 o 17.64037 7.940111 15.27276       28.79223 31.38000       39.97106 -2.098000      41.50922 20.09616 9.167770 17.19192 8.285946 2.904240       12.35738 
1 1 1 -31 20 22 o 18.47727 7.921925 22.61792       25.62635 17.97838       32.61789 30.10000       41.42188 18.17721 8.288256 19.82596 9.150117 -1.648750      12.34584 
1 1 1 -31 20 23 o 16.40400 7.424906 9.906962       25.58848 3.509343       32.09923 21.06000       42.38205 16.46839 7.749158 18.91922 8.902974 -2.450832      11.80307 
1 1 1 -31 20 24 o 18.86002 7.799901 25.23539       23.45448 42.98822       33.03214 7.183872       33.30887 21.61351 9.119508 16.95956 7.952934 4.653946       12.10019 
1 1 1 -31 20 25 o 16.70846 7.565499 11.45485       26.59596 -20.16572      32.68665 73.40000       45.74980 14.49222 7.069605 24.28173 10.49908 -9.789512      12.65741 
1 1 1 -31 20 26 o 17.27137 7.813651 15.52226       28.29656 7.304000       56.35006 18.29335       32.72123 18.30361 9.001390 17.91715 8.219184 0.3864594      12.18934 
1 1 1 -31 20 27 o 22.81325 8.284325 43.89189       23.88586 5.820849       33.38079 83.83876       34.19327 16.54439 7.820591 28.78892 9.963853 -12.24453      12.66649 
1 1 1 -31 20 28 o 16.00499 7.141881 11.98177       22.75118 -9.195013      32.06092 33.46274       32.29036 14.92630 7.215680 19.55530 8.628478 -4.629004      11.24796 
1 1 1 -31 20 29 o 17.97170 7.584363 23.81837       22.85429 42.77737       32.17098 4.501938       32.47282 20.70548 8.876622 16.02131 7.614159 4.684179       11.69486 
1 1 1 -31 20 30 o 13.87232 6.492589 -0.6859506     22.01811 -28.04706      31.38345 25.83665       30.89882 13.26123 6.558344 18.14824 8.191967 -4.887012      10.49382 
1 1 1 -31 20 31 o 21.59543 9.062071 51.48367       32.33593 22.28000       41.04572 99.26000       52.49955 17.70693 8.455743 23.63340 10.67208 -5.926470      13.61590 
1 1 1 -31 21 1  o 39.32106 6.046242 94.71149       22.52694 42.00292       32.82503 141.6356       30.97153 22.17868 9.204836 46.67246 6.994671 -24.49378      11.56090 
1 1 1 -31 21 2  f 28.37784 7.750360 57.34914       22.13138 16.42999       32.89959 91.17065       29.91050 18.43173 8.372968 34.55757 8.815475 -16.12584      12.15809 
1 1 1 -31 21 3  o 37.13164 6.390833 86.49290       22.39006 13.23651       33.10390 148.2611       30.39758 18.06383 8.279263 48.39980 6.587157 -30.33597      10.58002 
1 1 1 -31 21 4  o 42.49524 5.605540 107.5737       22.74846 35.65076       33.52716 168.9335       30.96745 21.09528 9.053086 52.39497 6.155503 -31.29970      10.94754 
1 1 1 -31 21 5  o 29.27258 7.568601 59.82333       21.84502 9.456833       32.00012 103.7791       29.89431 17.49947 8.064194 37.94760 8.281373 -20.44813      11.55908 
1 1 1 -31 21 6  o 17.58029 7.319030 17.82529       20.84494 18.77289       30.59132 17.00396       28.48017 18.53427 8.275270 18.11349 8.042223 0.4207802      11.53939 
1 1 1 -31 21 7  o 13.58261 6.330933 -5.100826      20.58710 -3.580625      30.63483 -6.352720      27.80025 15.87657 7.501037 15.08334 7.132059 0.7932348      10.35045 
1 1 1 -31 21 8  o 25.18073 7.941688 47.21513       21.87315 66.82375       32.88201 31.65181       29.29449 26.89685 9.726618 20.41354 8.599261 6.483305       12.98285 
1 1 1 -31 21 9  o 30.06035 7.589739 63.51246       22.33217 69.97710       33.00303 58.05230       30.33082 27.48184 9.767439 25.55379 9.326932 1.928049       13.50535 
1 1 1 -31 21 10 o 26.82460 7.871930 52.96585       22.01493 55.10392       32.76148 51.20552       29.72689 24.32522 9.504300 24.10984 9.147896 0.2153835      13.19150 
1 1 1 -31 21 11 o 31.94613 7.467963 70.68279       22.93131 27.40874       32.90783 111.5305       31.97196 19.65226 8.689151 38.42304 8.703568 -18.77078      12.29851 
1 1 1 -31 21 12 o 18.63568 7.770211 22.76060       23.54609 59.63000       38.63820 0.9798291      29.69754 24.12219 9.996878 16.10268 7.537695 8.019512       12.52016 
1 1 1 -31 21 13 o 15.55151 7.165449 2.603735       25.25134 14.67237       30.72340 -22.52000      44.32842 17.83014 8.096383 16.28496 8.003696 1.545177       11.38466 
1 1 1 -31 21 14 o 14.88669 6.987689 -3.467680      25.82168 19.95998       31.12410 -55.20000      46.25016 18.50255 8.297680 14.88697 7.456802 3.615575       11.15596 
1 1 1 -31 21 15 o 17.27324 7.671303 14.45842       25.93179 13.00975       30.64696 18.11000       48.65690 17.54506 8.012990 19.20551 9.180937 -1.660450      12.18596 
1 1 1 -31 21 16 o 26.84982 8.983994 60.98692       27.76607 70.86440       33.01139 37.10000       51.33587 27.43076 9.766657 20.69178 9.755967 6.738979       13.80458 
1 1 1 -31 21 17 o 18.46957 7.679951 22.52161       22.91157 38.03613       32.34514 6.897819       32.45886 21.13197 8.975047 17.01450 7.936840 4.117466       11.98102 
1 1 1 -31 21 18 o 14.75234 6.783764 1.147985       22.47596 14.86974       32.00315 -12.20726      31.57285 17.85114 8.166254 15.05309 7.247863 2.798054       10.91876 
1 1 1 -31 21 19 o 14.13113 6.646649 -5.481760      23.57249 15.83000       36.83585 -20.26194      30.67616 18.29991 8.509044 14.22347 6.918353 4.076439       10.96665 
1 1 1 -31 21 20 o 16.29062 7.342095 9.656442       24.70972 25.54000       39.93058 -0.2004755     31.45591 19.32610 8.942183 16.05670 7.590568 3.269400       11.72942 
1 1 1 -31 21 21 o 19.31279 7.856620 27.40705       23.30282 -3.365734      32.93372 58.26011       32.97665 15.90259 7.588619 24.36045 9.530384 -8.457861      12.18258 
1 1 1 -31 21 22 o 14.44598 6.698069 -0.3904818     22.57843 -10.68301      31.86841 9.982942       31.99339 15.08526 7.267992 17.08660 7.939833 -2.001340      10.76404 
1 1 1 -31 21 23 o 13.83177 6.481013 -4.263658      22.04524 -4.703564      30.32466 -3.770589      32.10479 15.37281 7.320709 15.72818 7.501821 -0.3553696     10.48189 
1 1 1 -31 21 24 o 16.93102 7.577535 14.34236       25.81372 22.70628       31.89864 -1.528000      43.94008 18.47318 8.332436 17.09386 8.306634 1.379316       11.76561 
1 1 1 -31 21 25 o 13.85648 6.508156 -3.748480      22.45951 7.492537       30.86105 -16.40611      32.74794 16.47218 7.701966 14.60289 7.113076 1.869289       10.48409 
1 1 1 -31 21 26 o 26.03592 8.350140 56.37073       24.09702 36.99139       33.44999 77.27779       34.74346 20.07743 8.823280 26.88594 9.953571 -6.808516      13.30127 
1 1 1 -31 21 27 o 17.60745 7.480666 21.60989       22.48369 23.44942       31.58801 19.72093       32.00966 18.09467 8.213745 17.65506 8.110157 0.4396095      11.54297 
1 1 1 -31 21 28 o 18.47453 7.671018 26.76288       22.81181 14.23290       32.10911 39.53242       32.41460 16.86847 7.877054 20.04890 8.751257 -3.180431      11.77423 
1 1 1 -31 21 29 o 16.90019 7.356378 18.89276       22.76953 10.00314       32.08102 27.91659       32.32228 16.36222 7.713912 18.37754 8.328850 -2.015320      11.35228 
1 1 1 -31 22 1  o 40.21022 6.268587 101.3270       23.86819 37.95601       35.25825 154.9340       32.42847 21.11861 9.173756 48.48501 7.038517 -27.36640      11.56281 
1 1 1 -31 22 2  o 31.68029 7.376404 69.06831       22.44511 49.16166       34.16854 84.17835       29.76872 22.96818 9.448086 32.33376 9.050302 -9.365576      13.08336 
1 1 1 -31 22 3  o 13.99683 6.495366 -2.831673      21.30157 -34.44822      32.36426 21.33291       28.29424 13.63269 6.726799 18.57818 8.141110 -4.945493      10.56066 
1 1 1 -31 22 4  o 35.19872 6.762643 80.71832       22.45315 36.38303       33.62185 116.4071       30.16566 20.92347 9.023544 40.70811 7.855097 -19.78464      11.96356 
1 1 1 -31 22 5  o 29.65579 7.613967 62.35412       22.21368 14.61066       32.70390 103.2481       30.26719 17.96991 8.233556 37.19658 8.499469 -19.22667      11.83353 
1 1 1 -31 22 6  o 14.89880 6.716066 4.262073       20.68666 13.47575       30.40163 -3.682138      28.22967 17.62557 8.023173 15.33156 7.230477 2.294017       10.80051 
1 1 1 -31 22 7  o 26.19153 7.842371 50.67012       21.67341 46.38942       31.54409 54.49809       29.82941 22.77917 9.186432 24.76140 9.212335 -1.982233      13.00991 
1 1 1 -31 22 8  f 20.29601 7.737042 30.01875       21.32646 0.7253590      31.04562 56.19325       29.34640 16.25198 7.639070 25.27277 9.181825 -9.020794      11.94409 
1 1 1 -31 22 9  o 20.82311 7.811870 32.16653       21.53943 13.42414       31.61652 48.39981       29.42421 17.73251 8.113789 23.49529 9.054708 -5.762789      12.15818 
1 1 1 -31 22 10 o 17.55691 7.341935 18.44510       21.11364 13.17365       31.21538 22.89056       28.66569 17.62660 8.064133 18.78324 8.213569 -1.156639      11.51056 
1 1 1 -31 22 11 o 17.91836 7.429547 20.19354       21.35572 -9.240148      31.64842 44.79915       28.93655 15.33575 7.350683 22.71175 8.915005 -7.376002      11.55465 
1 1 1 -31 22 12 o 15.21740 6.852870 5.576641       21.47693 -28.75525      30.81709 37.99833       29.94750 13.64084 6.697986 21.26098 8.805188 -7.620138      11.06320 
1 1 1 -31 22 13 f 13.81317 6.451274 -4.306008      21.55027 -18.10991      30.51212 9.433952       30.44136 14.37479 6.970545 17.05663 7.861999 -2.681832      10.50712 
1 1 1 -31 22 14 o 14.97264 7.116026 -6.822005      28.36786 -25.15000      35.88164 23.73000       46.32705 14.82391 7.268387 19.48857 9.212569 -4.664660      11.73460 
1 1 1 -31 22 15 o 17.48447 7.748369 15.99465       26.31390 -8.944187      31.38987 74.95000       48.26286 15.28372 7.324377 24.45799 10.67706 -9.174277      12.94782 
1 1 1 -31 22 16 o 21.06185 8.418462 35.74338       26.24254 26.00244       30.97278 60.53000       49.40699 19.22790 8.468642 22.71353 10.29533 -3.485626      13.33086 
1 1 1 -31 22 17 o 13.56238 6.366389 -5.796107      21.43864 -33.25197      30.29984 21.72864       30.33783 13.18907 6.508058 18.56649 8.268436 -5.377424      10.52245 
1 1 1 -31 22 18 f 12.96425 6.255379 -16.40058      23.81785 -7.268000      37.92396 -22.34914      30.60715 16.25619 7.855939 13.97209 6.821359 2.284097       10.40417 
1 1 1 -31 22 19 o 12.79334 6.136300 -13.49065      22.14003 -35.01900      32.15909 5.906932       30.52616 13.38328 6.622355 16.47289 7.688405 -3.089612      10.14727 
1 1 1 -31 22 20 o 21.03707 8.037502 35.10532       23.04815 66.62478       33.07867 5.364243       32.13194 25.92052 9.689721 16.58012 7.786464 9.340399       12.43060 
1 1 1 -31 22 21 o 13.09799 6.236853 -10.22798      22.00000 -20.37951      30.64077 0.5739780      31.60714 14.07320 6.860693 16.03894 7.590107 -1.965742      10.23127 
1 1 1 -31 22 22 o 16.56529 7.487394 11.63706       25.91301 23.52520       31.95601 -11.19000      44.28134 18.60549 8.370568 16.54201 8.103261 2.063477       11.65029 
1 1 1 -31 22 23 o 15.51151 7.292255 1.588868       28.31161 -16.70000      57.02423 7.571771       32.61535 17.12314 8.530832 16.65520 7.828979 0.4679451      11.57877 
1 1 1 -31 22 24 o 13.28081 6.316236 -8.177142      22.42546 -9.451663      31.40480 -6.851095      32.03333 14.86461 7.174941 15.17542 7.305178 -0.3108082     10.23940 
1 1 1 -31 22 25 o 16.03774 7.144787 12.49321       22.67300 5.123481       31.49047 20.42589       32.67105 16.08826 7.602260 17.81707 8.187861 -1.728813      11.17298 
1 1 1 -31 22 26 o 17.39993 7.455133 21.02357       22.66784 11.18734       31.31469 31.85133       32.85510 16.54591 7.743562 19.03684 8.532219 -2.490929      11.52222 
1 1 1 -31 22 27 o 20.10488 7.887262 34.65530       22.63841 8.174707       31.46112 63.08839       32.60036 16.07919 7.598196 23.80880 9.426361 -7.729616      12.10739 
1 1 1 -31 22 28 o 13.15173 6.259552 -6.362536      22.10847 -20.70302      30.94589 8.587224       31.59645 13.59611 6.683204 16.09611 7.608693 -2.500001      10.12706 
1 1 1 -31 23 1  o 36.39671 6.691125 86.07205       22.95971 24.88392       34.29144 135.7907       30.91092 19.23691 8.661431 44.85901 7.289771 -25.62210      11.32083 
1 1 1 -31 23 2  o 18.75262 7.568046 23.96336       21.42575 -16.59255      32.34179 55.68391       28.60273 14.84251 7.192418 25.22149 9.078114 -10.37898      11.58201 
1 1 1 -31 23 3  o 25.32764 7.982830 48.71294       22.10373 -2.408720      32.87487 90.89044       29.86084 16.13592 7.666483 33.92532 8.887634 -17.78940      11.73733 
1 1 1 -31 23 4  o 23.62401 7.994854 42.90818       21.98593 32.81191       33.23847 50.76178       29.31535 20.27835 8.856389 23.89805 9.080429 -3.619692      12.68423 
1 1 1 -31 23 5  o 24.46150 7.916098 45.42173       21.62462 22.07514       32.23736 64.52074       29.15770 18.76340 8.427308 27.17978 9.206869 -8.416382      12.48142 
1 1 1 -31 23 6  o 36.67054 6.632949 87.14964       22.93222 42.00882       33.81111 125.6054       31.20727 21.61916 9.178843 42.17385 7.848488 -20.55469      12.07683 
1 1 1 -31 23 7  o 57.21093 4.669559 185.9406       25.92211 109.4199       36.96758 259.9619       36.35881 34.55367 10.21689 65.47224 5.731167 -30.91858      11.71457 
1 1 1 -31 23 8  o 15.52324 6.910425 7.912999       21.16938 -8.809279      31.20841 22.16490       28.81114 15.26777 7.313122 18.59858 8.180485 -3.330803      10.97279 
1 1 1 -31 23 9  o 27.57851 7.798300 55.95351       21.98513 73.61559       32.85815 41.63736       29.58252 27.97630 9.762448 21.92508 8.876755 6.051222       13.19478 
1 1 1 -31 23 10 o 20.31871 7.798101 30.74200       21.76089 47.90915       32.49696 16.78657       29.29984 22.73671 9.267313 17.84830 8.023767 4.888409       12.25822 
1 1 1 -31 23 11 f 15.60284 6.926350 8.529510       21.11619 16.78638       31.24735 1.589527       28.64736 17.97597 8.163598 15.87112 7.420816 2.104851       11.03235 
1 1 1 -31 23 12 o 28.29266 8.911423 66.74306       27.54954 47.45110       33.38774 107.9000       48.76635 22.48306 9.302946 28.77295 11.48422 -6.289888      14.77945 
1 1 1 -31 23 13 o 35.78392 8.422482 96.47189       29.00720 75.05064       35.32743 140.8000       50.81936 27.32348 10.05072 33.40477 12.09034 -6.081285      15.72238 
1 1 1 -31 23 14 o 31.64773 7.592003 71.10033       23.21609 45.61365       32.80262 96.68015       32.86249 22.19960 9.206566 33.54717 9.550497 -11.34757      13.26548 
1 1 1 -31 23 15 o 17.79746 7.521918 19.93030       22.53363 18.71432       33.06901 20.98431       30.78787 18.24315 8.328679 18.40621 8.253742 -0.1630630     11.72566 
1 1 1 -31 23 16 o 17.93319 7.704314 20.57961       24.33006 -17.08000      39.13920 44.29712       31.06051 15.66175 7.660715 21.96627 9.019049 -6.304517      11.83342 
1 1 1 -31 23 17 o 14.57085 7.037421 -13.21945      30.32488 21.58000       38.75933 -68.14000      48.69200 18.68090 8.700411 14.47273 7.301823 4.208172       11.35842 
1 1 1 -31 23 18 o 15.72856 7.082434 8.494985       22.93415 -13.86841      32.69807 30.14970       32.17581 14.90510 7.224919 19.53292 8.616108 -4.627811      11.24441 
1 1 1 -31 23 19 o 14.63476 6.765034 1.048414       22.77355 6.434039       31.89809 -4.550768      32.52438 16.62978 7.793293 15.65692 7.490428 0.9728613      10.80934 
1 1 1 -31 23 20 o 19.56786 7.871603 29.27741       23.09772 14.28942       31.94739 45.69222       33.43349 17.43653 8.043214 21.75571 9.176872 -4.319187      12.20280 
1 1 1 -31 23 21 o 12.87977 6.250039 -17.78756      24.64481 -27.76710      30.00594 2.900000       43.20228 13.27329 6.535564 17.15011 8.311145 -3.876819      10.57302 
1 1 1 -31 23 22 o 13.56408 6.405924 -5.369722      22.30153 -14.15396      30.66049 4.498909       32.49792 14.34859 6.964762 16.23754 7.687716 -1.888948      10.37347 
1 1 1 -31 23 23 f 15.52839 6.985312 9.665104       22.24647 -0.2824733E-01 30.54582 20.61428       32.46426 15.46895 7.361081 17.82049 8.179285 -2.351534      11.00392 
1 1 1 -31 23 24 o 16.86747 7.302298 18.20707       22.18616 12.15692       30.45728 25.04654       32.38315 16.59237 7.722599 18.18956 8.280140 -1.597185      11.32251 
1 1 1 -31 23 25 o 15.16090 6.881976 8.663917       22.17475 -9.333475      30.33607 29.31382       32.49477 14.39961 6.974950 18.53375 8.380116 -4.134138      10.90304 
1 1 1 -31 23 26 o 12.67174 6.096775 -11.15871      22.24431 9.078320       30.68173 -33.58234      32.29679 16.06676 7.565115 13.02291 6.476928 3.043843       9.958995 
1 1 1 -31 23 27 o 14.25124 6.787428 -1.839330      26.08369 -6.185565      31.23092 8.184000       47.42793 14.58538 7.067817 16.82638 8.271579 -2.240994      10.87994 
1 1 1 -31 24 1  o 27.70786 7.860040 56.92190       22.29832 30.47645       33.74828 77.41191       29.70622 19.86218 8.789852 30.20807 9.211006 -10.34589      12.73201 
1 1 1 -31 24 2  o 24.33089 8.020418 45.74068       22.14932 2.852412       33.55377 78.86183       29.48661 16.65896 7.864510 30.69947 9.136698 -14.04051      12.05528 
1 1 1 -31 24 3  o 16.11794 7.096260 11.02687       21.72875 -37.61772      33.36967 46.83466       28.63013 13.54514 6.710183 23.06827 8.920609 -9.523133      11.16261 
1 1 1 -31 24 4  o 17.92013 7.478377 20.45446       21.83857 20.32262       32.75050 20.56001       29.30479 18.48943 8.381264 18.33462 8.148117 0.1548138      11.68920 
1 1 1 -31 24 5  o 37.05662 6.717496 89.81042       23.46876 60.36678       35.45250 112.7776       31.31158 24.39975 9.773921 38.71994 8.495519 -14.32018      12.95003 
1 1 1 -31 24 6  o 25.11008 7.969029 48.29958       21.99323 37.58610       32.46199 57.38979       29.90177 20.89422 8.936188 25.07928 9.243050 -4.185064      12.85649 
1 1 1 -31 24 7  o 28.32903 7.817406 59.19374       22.38368 20.46075       33.57920 90.16791       30.02822 18.52031 8.431074 33.40422 8.987862 -14.88391      12.32334 
1 1 1 -31 24 8  o 40.73135 6.062321 103.5373       23.43432 67.32265       34.68923 133.9389       31.78338 25.86214 9.865520 43.66991 7.717726 -17.80777      12.52565 
1 1 1 -31 24 9  o 16.47349 7.130664 13.58157       21.14909 -8.245663      31.54157 31.41065       28.50681 15.31046 7.338485 20.00966 8.458775 -4.699200      11.19840 
1 1 1 -31 24 10 o 15.87164 7.280741 5.791290       25.67454 9.196010       32.09178 -0.2630000     42.79419 17.08755 7.944272 17.29873 8.356176 -0.2111816     11.52984 
1 1 1 -31 24 11 o 12.68725 6.178998 -21.89875      24.68492 -29.69660      30.69394 -7.620000      41.53464 13.46640 6.626630 16.64351 8.085088 -3.177108      10.45375 
1 1 1 -31 24 12 o 17.43151 7.709434 16.87425       25.92302 13.75449       31.64399 23.24000       45.20175 17.48269 8.042937 19.12371 9.057866 -1.641026      12.11337 
1 1 1 -31 24 13 o 16.47405 7.187028 13.77155       21.83741 26.89325       31.34565 1.397277       30.43981 19.09019 8.458546 15.93817 7.513999 3.152021       11.31403 
1 1 1 -31 24 14 o 15.09783 6.923953 3.947202       23.19919 -15.12000      36.10624 17.35358       30.27572 15.31991 7.463801 17.72773 8.044864 -2.407817      10.97398 
1 1 1 -31 24 15 o 16.65169 7.380606 13.73214       23.88554 19.22000       37.20258 9.883480       31.15487 18.31197 8.527011 16.88791 7.843262 1.424065       11.58562 
1 1 1 -31 24 16 o 11.65354 5.709490 -24.75848      22.00959 -50.13765      31.91633 -1.745509      30.39210 12.42442 6.219099 15.57622 7.392102 -3.151802      9.660246 
1 1 1 -31 24 17 o 21.65389 8.368794 39.46453       25.18687 8.118000       40.02822 60.01003       32.40633 17.47776 8.347396 24.56914 9.493461 -7.091377      12.64139 
1 1 1 -31 24 18 f 27.05301 8.314077 59.15507       24.14182 51.00326       34.05833 67.38717       34.22566 22.40456 9.343658 25.36028 9.767640 -2.955711      13.51705 
1 1 1 -31 24 19 o 25.30551 9.745190 68.07076       34.06516 68.07076       34.06516 0.000000       0.000000 25.30551 9.745190 ?        ?        ?              ?        
1 1 1 -31 24 20 o 16.62055 7.660796 11.82021       28.90054 -23.86000      59.06762 23.05023       33.13798 16.78455 8.410126 18.21682 8.324538 -1.432274      11.83335 
1 1 1 -31 24 21 o 12.30136 5.961551 -16.42240      22.23211 -10.62355      30.51864 -22.97935      32.45228 14.49982 7.016874 13.90392 6.836378 0.5958986      9.796559 
1 1 1 -31 24 22 o 13.50402 6.393180 -4.880383      22.46906 5.406543       30.91117 -16.40493      32.71783 15.90023 7.518981 14.31322 7.001749 1.587006       10.27422 
1 1 1 -31 24 23 f 17.96568 7.543112 24.65425       22.42359 61.11815       30.76094 -16.69431      32.75655 24.02846 9.258646 14.20301 6.959964 9.825446       11.58290 
1 1 1 -31 24 24 o 15.74114 7.033140 13.04101       22.13813 -9.136472      30.36666 38.19883       32.34278 14.32381 6.947721 19.54732 8.629766 -5.223510      11.07897 
1 1 1 -31 24 25 o 16.07509 7.332647 13.78015       25.56237 -0.4624793E-02 30.92426 43.52000       45.42228 15.10629 7.247399 19.26311 9.110826 -4.156819      11.64182 
1 1 1 -31 25 1  o 20.51272 7.778187 31.90832       21.48326 -8.295269      32.98804 61.51701       28.30960 15.49404 7.446917 26.45527 9.069812 -10.96123      11.73533 
1 1 1 -31 25 2  o 18.31837 7.532547 22.70461       21.70757 -12.77071      32.76759 50.45020       28.97866 15.09049 7.294986 23.63861 9.017074 -8.548116      11.59847 
1 1 1 -31 25 3  o 26.29907 7.986650 52.94892       22.36421 77.04753       34.51286 35.50539       29.36310 27.83037 9.977556 20.62006 8.642984 7.210318       13.20049 
1 1 1 -31 25 4  o 22.51274 8.059261 40.16237       22.50879 10.35262       33.75002 64.04370       30.20815 17.32051 8.084075 26.38722 9.348043 -9.066711      12.35873 
1 1 1 -31 25 5  o 21.02328 7.906844 34.29993       22.09621 26.26915       33.99912 40.17231       29.07339 19.14927 8.622991 21.47937 8.761525 -2.330097      12.29310 
1 1 1 -31 25 6  o 33.82733 7.257144 79.00453       23.30915 44.91049       35.23265 105.5421       31.08401 21.64643 9.284890 36.67305 8.776574 -15.02662      12.77644 
1 1 1 -31 25 7  o 18.00845 7.496697 21.59882       21.86676 21.85182       32.63173 21.39261       29.45954 18.47192 8.370428 18.27360 8.142310 0.1983261      11.67738 
1 1 1 -31 25 8  o 14.09187 6.535205 -0.9768927     21.51027 12.81037       31.31615 -13.29182      29.59684 17.26076 7.962571 14.41450 6.959575 2.846251       10.57536 
1 1 1 -31 25 9  f 23.48941 8.743253 48.72910       26.87511 24.70779       33.66887 90.91000       44.61575 18.78442 8.508189 26.69616 10.86709 -7.911732      13.80155 
1 1 1 -31 25 10 o 20.58777 8.380720 35.33421       26.53590 22.05853       33.14603 59.03000       44.28317 18.42432 8.383152 22.41553 9.985668 -3.991205      13.03805 
1 1 1 -31 25 11 o 21.09319 7.932851 35.33958       22.24137 21.85620       31.97225 47.98291       30.96025 18.33861 8.300164 22.47338 9.087470 -4.134769      12.30751 
1 1 1 -31 25 12 o 13.08914 6.211499 -8.557128      21.45442 -23.95776      30.68253 6.176638       30.01088 13.73996 6.733667 16.30683 7.614966 -2.566871      10.16514 
1 1 1 -31 25 13 o 14.90463 6.887506 2.314376       23.57708 -10.87000      36.28252 11.95080       31.01885 15.59938 7.572949 17.06911 7.892076 -1.469728      10.93775 
1 1 1 -31 25 14 o 18.15788 7.713159 22.60221       23.89573 -1.492000      36.34471 40.94777       31.71395 16.31807 7.836125 21.10221 8.921340 -4.784143      11.87414 
1 1 1 -31 25 15 o 17.50906 7.458674 19.78084       22.45500 51.94984       31.58349 -13.10143      31.93171 22.97350 9.217456 14.73309 7.141116 8.240413       11.66006 
1 1 1 -31 25 16 o 12.68519 6.084661 -12.18149      21.77368 -16.41736      30.28794 -7.651026      31.32344 14.11593 6.867949 15.00024 7.221596 -0.8843117     9.965950 
1 1 1 -31 25 17 o 15.29250 6.935613 7.609137       22.46141 -33.78682      30.51087 56.58888       33.18822 12.91269 6.400296 23.19183 9.397617 -10.27913      11.37009 
1 1 1 -31 25 18 o 14.25208 6.643058 0.1838512      22.66817 -13.77542      30.78789 16.70949       33.49867 14.31575 6.955842 17.43051 8.108067 -3.114758      10.68291 
1 1 1 -31 25 19 o 15.36856 7.063417 7.185160       24.32297 -1.839000      36.22355 14.59455       32.82305 15.87810 7.674341 17.05417 7.963893 -1.176068      11.05980 
1 1 1 -31 25 20 o 28.61509 8.176668 66.81216       24.04408 22.90039       32.46586 120.1541       35.78252 17.82985 8.182066 35.39746 9.927702 -17.56761      12.86489 
1 1 1 -31 25 21 o 15.34124 7.127558 6.985950       25.76486 0.7335221      30.46791 22.68000       48.27096 15.24402 7.281132 17.97174 8.727030 -2.727718      11.36556 
1 1 1 -31 25 22 o 19.84777 7.886264 34.45467       22.89510 35.92799       31.42309 32.78746       33.42684 19.22281 8.495459 18.70399 8.474072 0.5188236      11.99928 
1 1 1 -31 25 23 o 11.95238 5.883229 -23.99152      24.24869 -38.44620      29.11132 8.765000       43.82346 12.07026 6.026290 16.75772 8.177185 -4.687452      10.15788 
1 1 1 -31 26 1  o 22.04978 7.961627 38.90095       22.02072 -7.579621      32.80881 77.00539       29.70589 15.36362 7.395088 29.47653 9.249367 -14.11291      11.84222 
1 1 1 -31 26 2  o 12.08488 5.850338 -17.46723      21.26348 -41.46495      32.15649 1.178861       28.34506 12.91699 6.430576 15.53460 7.301055 -2.617608      9.729220 
1 1 1 -31 26 3  o 25.66493 8.118752 52.40816       22.84366 73.72408       34.60913 35.95253       30.40858 26.62593 9.919697 20.35873 8.676361 6.267206       13.17876 
1 1 1 -31 26 4  o 13.77092 6.448107 -3.474065      21.75946 -4.443925      32.11605 -2.651069      29.58464 15.52457 7.431457 15.32020 7.277138 0.2043695      10.40112 
1 1 1 -31 26 5  o 12.55817 6.030024 -13.40656      21.51050 -21.18245      31.63694 -6.721411      29.33427 14.10310 6.896015 14.88587 7.119400 -0.7827711     9.911654 
1 1 1 -31 26 6  o 20.40802 7.997432 33.32526       23.25372 31.38589       34.06831 35.01691       31.81831 19.53398 8.726487 20.10742 8.724770 -0.5734348     12.33990 
1 1 1 -31 26 7  o 18.14668 7.920367 22.33213       26.54737 20.46176       33.42102 25.53000       43.70051 18.16476 8.323022 18.99067 8.968286 -0.8259106     12.23531 
1 1 1 -31 26 8  o 19.56997 8.225248 30.49133       26.70584 -2.460438      32.61300 97.56000       46.52766 15.75595 7.527682 26.92839 11.04552 -11.17245      13.36673 
1 1 1 -31 26 9  o 24.27261 8.229111 48.28104       23.29386 7.450681       33.06810 88.49689       32.81831 16.74234 7.874067 30.75943 9.731265 -14.01708      12.51793 
1 1 1 -31 26 10 o 21.77850 8.102536 38.88559       23.07526 4.366518       32.53600 73.82093       32.73159 16.36883 7.732609 27.26145 9.723155 -10.89262      12.42308 
1 1 1 -31 26 11 o 27.07937 8.512365 60.95403       25.14942 56.56000       38.85887 64.12114       32.99059 22.51878 9.706135 25.00384 9.600256 -2.485060      13.65189 
1 1 1 -31 26 12 o 13.63680 6.466840 -6.513258      23.17503 -7.733000      35.62612 -5.618481      30.51351 15.58724 7.552230 15.05980 7.218224 0.5274401      10.44696 
1 1 1 -31 26 13 o 16.22953 7.176692 13.51111       22.45545 -39.79974      31.27448 70.24232       32.26216 12.70928 6.329539 26.20593 9.610610 -13.49665      11.50769 
1 1 1 -31 26 14 o 18.87384 7.702075 27.50162       22.47924 3.727191       31.16683 53.27887       32.45306 15.92404 7.536125 22.65232 9.250413 -6.728287      11.93161 
1 1 1 -31 26 15 o 20.52110 7.899887 34.84209       22.38009 6.044249       30.72767 67.37816       32.66121 16.05643 7.563505 25.22710 9.584809 -9.170666      12.20963 
1 1 1 -31 26 16 o 15.43297 7.119724 7.082009       25.04151 4.180816       31.16272 12.37000       42.07193 15.83741 7.507055 17.35820 8.359988 -1.520787      11.23589 
1 1 1 -31 26 17 o 21.21013 8.759921 44.64420       29.52889 -14.03000      61.26821 62.39719       33.70136 16.90470 8.483721 23.57667 9.499844 -6.671970      12.73658 
1 1 1 -31 26 18 o 15.15249 6.881104 8.748204       22.19829 27.70190       30.25076 -13.36574      32.67551 18.30997 8.198213 14.40902 7.037578 3.900946       10.80455 
1 1 1 -31 26 19 o 15.06219 6.844741 8.869652       22.01038 0.3440194      29.82479 19.06638       32.61703 15.05573 7.194662 17.15655 7.987383 -2.100821      10.74995 
1 1 1 -31 26 20 o 11.08453 5.464689 -25.10656      21.20010 -20.18277      28.08615 -31.62704      32.32080 13.03687 6.399987 13.05280 6.489719 -0.1592159E-01 9.114619 
1 1 1 -31 26 21 o 14.55849 6.907263 0.7782254      26.50147 -19.85000      33.03081 38.05000       44.39952 13.83398 6.820354 18.72422 8.900037 -4.890241      11.21284 
1 1 1 -31 27 1  o 22.02265 8.006890 39.54288       22.32203 -12.39162      31.32050 93.15286       31.82171 14.65553 7.096119 32.30686 9.459682 -17.65133      11.82542 
1 1 1 -31 27 2  o 16.21696 7.363933 10.63805       25.41671 -29.75986      30.77298 97.35000       45.08474 13.29174 6.558712 27.09207 10.96219 -13.80033      12.77444 
1 1 1 -31 27 3  o 18.78274 7.727379 26.35939       22.85999 -13.04099      31.60344 69.59732       33.10675 14.63999 7.097957 26.01466 9.700030 -11.37467      12.01963 
1 1 1 -31 27 4  o 18.80981 7.760201 26.62719       23.14001 40.97378       32.14973 11.20593       33.33212 20.84279 8.903100 17.02556 7.974839 3.817234       11.95254 
1 1 1 -31 27 5  o 24.70433 8.848169 55.53719       27.13472 34.60888       33.35926 96.46000       46.64790 19.77901 8.746713 26.30210 10.94938 -6.523088      14.01406 
1 1 1 -31 27 6  o 21.00532 8.452079 39.01453       26.63745 15.98664       32.63358 84.99000       46.11060 17.41436 8.066814 24.76848 10.62296 -7.354118      13.33869 
1 1 1 -31 27 7  o 20.74594 8.062977 35.99675       23.47896 5.096549       32.91956 67.98954       33.49649 16.28483 7.718146 25.29005 9.682808 -9.005220      12.38251 
1 1 1 -31 27 8  f 37.60215 7.125925 98.50406       25.26797 65.10561       35.52298 132.7092       35.94944 24.09492 9.737349 39.15372 9.482060 -15.05880      13.59137 
1 1 1 -31 27 9  o 30.01622 8.618546 75.29939       26.65085 65.09000       41.74514 82.32330       34.62544 22.77208 9.935731 27.73469 9.987543 -4.962614      14.08793 
1 1 1 -31 27 10 o 28.69521 8.513229 68.97498       25.63188 61.64000       39.74172 74.19937       33.54015 22.56392 9.770856 26.35020 9.775158 -3.786280      13.82112 
1 1 1 -31 27 11 o 40.44995 6.626294 109.9365       25.32824 40.77928       35.59846 180.8386       36.04477 20.17355 8.972064 49.88810 7.622953 -29.71456      11.77316 
1 1 1 -31 27 12 o 26.00742 8.176281 56.25803       23.20212 45.73560       32.23979 67.56319       33.41739 21.12214 8.965229 24.80086 9.624740 -3.678719      13.15336 
1 1 1 -31 27 13 o 18.84531 7.731518 28.53785       22.80227 24.34518       31.98698 32.86982       32.51404 18.01560 8.211923 19.10349 8.530261 -1.087891      11.84065 
1 1 1 -31 27 14 o 18.01790 7.807733 25.19824       25.41225 26.53192       31.87015 22.87000       42.10860 18.18211 8.252216 17.94874 8.569376 0.2333679      11.89678 
1 1 1 -31 27 15 o 14.73688 7.013053 -0.6830078     27.73242 -16.65000      60.62247 3.542742       31.18702 16.59433 8.343016 15.56696 7.416229 1.027370       11.16272 
1 1 1 -31 27 16 o 15.44143 6.965609 11.27824       22.29798 -22.30474      30.65298 49.02066       32.49585 13.37128 6.588026 21.08579 8.977142 -7.714517      11.13513 
1 1 1 -31 27 17 o 19.57673 7.794498 33.44923       22.40973 19.53745       30.27190 50.31685       33.33307 16.98598 7.833261 20.98354 9.016328 -3.997553      11.94379 
1 1 1 -31 27 18 o 17.00364 7.303982 20.88799       21.86173 8.665953       29.19848 36.48086       32.98006 15.72784 7.397591 19.09536 8.554199 -3.367519      11.30923 
1 1 1 -31 27 19 o 12.39280 6.040015 -15.74955      23.70779 -1.617413      28.38370 -48.36000      43.11650 14.47000 6.942442 13.66438 6.891153 0.8056135      9.781897 
1 1 1 -31 28 1  o 28.76911 8.020444 65.61857       23.42936 28.12034       33.34304 102.1914       32.92906 18.59282 8.439465 33.15287 9.598748 -14.56005      12.78126 
1 1 1 -31 28 2  o 26.86055 8.245873 59.90250       23.75544 26.26368       32.81398 96.94730       34.43516 18.36134 8.349246 30.88898 9.988809 -12.52765      13.01869 
1 1 1 -31 28 3  o 24.72991 8.754040 56.50511       26.48671 31.60570       32.01655 110.5000       47.14725 19.05012 8.488316 27.40464 11.16528 -8.354527      14.02551 
1 1 1 -31 28 4  o 23.48629 8.693194 51.59861       26.49929 45.88176       32.32184 63.32000       46.28146 21.13144 8.973201 21.65960 9.874825 -0.5281563     13.34281 
1 1 1 -31 28 5  o 12.71053 6.114966 -11.98379      22.36720 -25.56704      30.42675 3.987201       32.99286 13.29319 6.552255 15.97457 7.615311 -2.681387      10.04614 
1 1 1 -31 28 6  o 18.55742 7.665729 27.08567       22.61832 31.38876       31.09802 22.25270       32.95717 18.95821 8.411236 17.79695 8.194996 1.161259       11.74337 
1 1 1 -31 28 7  o 15.65158 7.116523 10.31477       23.83398 -27.42000      34.99769 42.95213       32.54813 13.90932 6.887274 20.51539 8.863063 -6.606070      11.22446 
1 1 1 -31 28 8  o 18.05935 7.779095 25.19571       24.93017 -23.18000      36.99287 65.44711       33.74387 14.42129 7.129925 24.05562 9.568917 -9.634323      11.93315 
1 1 1 -31 28 9  o 16.77678 7.391732 18.15890       23.61615 17.59277       33.21980 18.73736       33.57968 17.16671 8.014941 17.30157 8.071398 -0.1348610     11.37483 
1 1 1 -31 28 10 o 13.20861 6.301102 -6.917212      22.66943 -25.32183      30.87877 14.59843       33.38672 13.27381 6.553628 16.81205 7.908428 -3.538237      10.27099 
1 1 1 -31 28 11 o 11.03255 5.454131 -27.69368      21.63317 -28.09412      29.79691 -27.24734      31.45853 12.86570 6.367730 13.21827 6.542348 -0.3525772     9.129639 
1 1 1 -31 28 12 o 17.41802 7.665426 22.85799       25.32941 -8.011841      31.25468 81.93000       43.23534 14.48362 7.030682 23.56328 10.19746 -9.079657      12.38623 
1 1 1 -31 28 13 o 13.61819 6.616321 -11.61635      27.83926 13.55000       61.39705 -18.12964      31.23473 17.44801 8.717427 13.67942 6.722196 3.768588       11.00824 
1 1 1 -31 28 14 f 17.80149 7.489161 25.32145       22.17337 9.183371       30.80379 42.67527       31.94300 15.85440 7.499876 19.95422 8.699037 -4.099818      11.48570 
1 1 1 -31 28 15 o 10.62905 5.283353 -31.42525      21.36884 -26.08139      29.49885 -37.32567      30.99699 12.84734 6.354513 12.45332 6.217670 0.3940210      8.890403 
1 1 1 -31 28 16 o 21.64535 8.368726 46.20417       25.19361 42.11888       30.75363 54.54000       43.92984 19.78191 8.580578 19.85065 9.251017 -0.6874466E-01 12.61775 
1 1 1 -31 29 1  o 16.06634 7.743556 5.298550       36.25569 -38.84000      62.64382 27.53000       44.45832 15.87065 8.038764 18.06727 8.673674 -2.196615      11.82600 
1 1 1 -31 29 2  o 14.75610 7.223567 -10.95338      35.01063 -1.565000      62.43281 -15.26000      42.28492 17.04781 8.556713 15.26959 7.562530 1.778217       11.41968 
1 1 1 -31 29 3  f 15.96569 7.147079 14.36640       22.97792 45.39956       31.34882 -21.66337      33.77839 20.63673 8.802610 13.88917 6.856884 6.747561       11.15808 
1 1 1 -31 29 4  o 14.79144 6.788542 7.037297       22.35767 -19.14729      30.59898 37.02765       32.74725 13.55089 6.657914 19.22788 8.574967 -5.676993      10.85624 
1 1 1 -31 29 5  o 17.23863 7.519587 22.06169       23.89830 -45.09000      34.22960 85.92500       33.38097 12.65835 6.351060 27.82892 9.829687 -15.17057      11.70294 
1 1 1 -31 29 6  o 17.92933 7.710371 26.20893       24.41451 -0.1684000     36.24939 48.10837       33.02948 15.57380 7.562609 20.70209 8.935975 -5.128292      11.70661 
1 1 1 -31 29 7  o 14.08816 6.636961 0.4968603      23.67045 -52.60000      33.91548 50.92257       33.05138 12.22069 6.156595 21.06687 9.013652 -8.846173      10.91557 
1 1 1 -31 29 8  o 21.05385 8.108443 41.18187       23.58448 1.889964       32.00499 87.87202       34.88821 15.25513 7.332870 27.17734 9.989558 -11.92221      12.39202 
1 1 1 -31 29 9  o 13.98269 6.559157 1.265711       22.68923 -24.19727      30.35309 33.51192       34.15762 13.07911 6.464897 18.50300 8.453917 -5.423889      10.64254 
1 1 1 -31 29 10 f 15.86148 7.317339 12.64045       26.44996 -3.067093      31.63602 49.12000       48.21170 14.80649 7.160177 19.31552 9.207333 -4.509030      11.66375 
1 1 1 -31 29 11 o 14.17309 6.875401 -7.726513      29.75990 -85.33000      63.22073 14.36447       33.73078 14.54174 7.430946 16.48703 7.813593 -1.945286      10.78291 
1 1 1 -31 29 12 o 16.20271 7.340402 16.88124       25.07684 19.96123       31.17014 11.23000       42.22170 16.80472 7.818398 16.47931 8.038049 0.3254089      11.21328 
1 1 1 -31 30 1  o 19.05756 7.835399 32.92377       23.48390 25.97641       32.34750 40.66609       34.14811 17.51387 8.084083 19.19459 8.642763 -1.680719      11.83426 
1 1 1 -31 30 2  o 20.12762 8.000632 37.93784       23.57296 -9.750118      32.68264 89.64707       34.03273 14.31600 7.002020 27.66404 9.909098 -13.34804      12.13336 
1 1 1 -31 30 3  o 15.59715 7.478137 6.655108       32.80801 0.000000       0.000000 6.655108       32.80801 ?        ?        15.59715 7.478137 ?              ?        
1 1 1 -31 30 4  o 21.14028 9.853774 78.31000       49.87623 0.000000       0.000000 78.31000       49.87623 ?        ?        21.14028 9.853774 ?              ?        
1 1 1 -31 30 5  o 15.48184 7.358545 8.126209       30.34486 19.02000       39.51197 -7.538000      47.37981 16.86426 8.116904 15.66426 7.799484 1.199997       11.25682 
1 1 1 -31 30 6  o 14.80444 7.127329 0.8752571      30.51099 0.8752571      30.51099 0.000000       0.000000 14.80444 7.127329 ?        ?        ?              ?        
1 1 1 -30 0  1  o 32.07560 8.063106 62.87336       21.89493 62.87336       21.89493 62.87336       21.89493 32.07560 8.063106 32.07560 8.063106 0.000000       0.000000 
1 1 1 -30 0  2  o 47.47397 5.454822 119.5154       24.48070 119.5154       24.48070 119.5154       24.48070 47.47397 5.454822 47.47397 5.454822 0.000000       0.000000 
1 1 1 -30 0  3  o 43.61791 5.872409 102.7048       23.79523 102.7048       23.79523 102.7048       23.79523 43.61791 5.872409 43.61791 5.872409 0.000000       0.000000 
1 1 1 -30 0  4  o 11.50139 7.399846 3.073539       19.12249 3.073539       19.12249 3.073539       19.12249 11.50139 7.399846 11.50139 7.399846 -0.000000      0.000000 
1 1 1 -30 0  5  o 17.38073 9.297197 25.00578       21.61878 25.00578       21.61878 25.00578       21.61878 17.38073 9.297197 17.38073 9.297197 -0.000000      0.000000 
1 1 1 -30 0  6  f 11.82704 7.599666 3.670101       20.08698 3.670101       20.08698 3.670101       20.08698 11.82704 7.599666 11.82704 7.599666 -0.000000      0.000000 
1 1 1 -30 0  7  o 40.93919 6.634033 93.37300       24.49085 93.37300       24.49085 93.37300       24.49085 40.93919 6.634033 40.93919 6.634033 -0.000000      0.000000 
1 1 1 -30 0  8  o 57.77408 5.329584 175.1228       29.51766 175.1228       29.51766 175.1228       29.51766 57.77408 5.329584 57.77408 5.329584 -0.000000      0.000000 
1 1 1 -30 0  9  o 23.41891 10.00605 43.05060       23.38288 43.05060       23.38288 43.05060       23.38288 23.41891 10.00605 23.41891 10.00605 0.000000       0.000000 
1 1 1 -30 0  10 o 39.32892 7.443597 89.39826       25.66579 89.39826       25.66579 89.39826       25.66579 39.32892 7.443597 39.32892 7.443597 -0.000000      0.000000 
1 1 1 -30 0  11 o 32.75823 9.349620 70.11596       25.97608 70.11596       25.97608 70.11596       25.97608 32.75823 9.349620 32.75823 9.349620 -0.000000      0.000000 
1 1 1 -30 0  12 o 14.73882 8.900398 15.33303       23.48859 15.33303       23.48859 15.33303       23.48859 14.73882 8.900398 14.73882 8.900398 0.000000       0.000000 
1 1 1 -30 0  13 o 37.47672 8.428317 85.22997       26.98281 85.22997       26.98281 85.22997       26.98281 37.47672 8.428317 37.47672 8.428317 -0.000000      0.000000 
1 1 1 -30 0  14 o 58.06415 5.784757 179.9102       32.07286 179.9102       32.07286 179.9102       32.07286 58.06415 5.784757 58.06415 5.784757 0.000000       0.000000 
1 1 1 -30 0  15 o 29.21906 10.21211 61.62239       26.42466 61.62239       26.42466 61.62239       26.42466 29.21906 10.21211 29.21906 10.21211 -0.000000      0.000000 
1 1 1 -30 0  16 o 15.35758 9.192185 17.96806       24.61433 17.96806       24.61433 17.96806       24.61433 15.35758 9.192185 15.35758 9.192185 0.000000       0.000000 
1 1 1 -30 0  17 o 22.05294 10.47618 41.82958       25.74165 41.82958       25.74165 41.82958       25.74165 22.05294 10.47618 22.05294 10.47618 -0.000000      0.000000 
1 1 1 -30 0  18 o 24.75028 10.89763 51.17260       27.65653 51.17260       27.65653 51.17260       27.65653 24.75028 10.89763 24.75028 10.89763 0.000000       0.000000 
1 1 1 -30 0  19 o 13.88469 9.702696 -23.22000      48.57608 -23.22000      48.57608 -23.22000      48.57608 13.88469 9.702696 13.88469 9.702696 -0.000000      0.000000 
1 1 1 -30 0  20 o 15.14775 10.39387 -7.555000      49.65456 -7.555000      49.65456 -7.555000      49.65456 15.14775 10.39387 15.14775 10.39387 0.000000       0.000000 
1 1 1 -30 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  22 o 14.20462 9.942410 -22.97000      51.60152 -22.97000      51.60152 -22.97000      51.60152 14.20462 9.942410 14.20462 9.942410 -0.000000      0.000000 
1 1 1 -30 0  23 o 15.31135 9.441412 17.57410       27.67978 17.57410       27.67978 17.57410       27.67978 15.31135 9.441412 15.31135 9.441412 0.000000       0.000000 
1 1 1 -30 0  24 o 10.42902 7.262070 -16.37746      26.55377 -16.37746      26.55377 -16.37746      26.55377 10.42902 7.262070 10.42902 7.262070 0.000000       0.000000 
1 1 1 -30 0  25 o 19.11181 11.16322 36.19000       34.75038 36.19000       34.75038 36.19000       34.75038 19.11181 11.16322 19.11181 11.16322 0.000000       0.000000 
1 1 1 -30 0  26 o 33.50983 12.51005 92.38000       38.21086 92.38000       38.21086 92.38000       38.21086 33.50983 12.51005 33.50983 12.51005 -0.000000      0.000000 
1 1 1 -30 0  27 o 10.91689 7.586322 -14.93970      28.58679 -14.93970      28.58679 -14.93970      28.58679 10.91689 7.586322 10.91689 7.586322 -0.000000      0.000000 
1 1 1 -30 0  28 o 17.81120 10.44854 30.91259       30.66370 30.91259       30.66370 30.91259       30.66370 17.81120 10.44854 17.81120 10.44854 0.000000       0.000000 
1 1 1 -30 0  29 f 11.41989 7.926726 -13.70766      30.97550 -13.70766      30.97550 -13.70766      30.97550 11.41989 7.926726 11.41989 7.926726 -0.000000      0.000000 
1 1 1 -30 0  30 o 35.75085 11.24024 95.94261       34.53609 95.94261       34.53609 95.94261       34.53609 35.75085 11.24024 35.75085 11.24024 -0.000000      0.000000 
1 1 1 -30 0  31 o 17.70273 10.62508 31.35671       33.06382 31.35671       33.06382 31.35671       33.06382 17.70273 10.62508 17.70273 10.62508 0.000000       0.000000 
1 1 1 -30 0  32 o 22.73018 11.58498 52.37271       32.39913 52.37271       32.39913 52.37271       32.39913 22.73018 11.58498 22.73018 11.58498 -0.000000      0.000000 
1 1 1 -30 0  33 o 16.62497 10.17609 26.22763       31.61159 26.22763       31.61159 26.22763       31.61159 16.62497 10.17609 16.62497 10.17609 0.000000       0.000000 
1 1 1 -30 0  34 f 18.27517 10.61539 34.50108       31.14246 34.50108       31.14246 34.50108       31.14246 18.27517 10.61539 18.27517 10.61539 0.000000       0.000000 
1 1 1 -30 0  35 o 9.998681 7.117682 -29.12339      30.34792 -29.12339      30.34792 -29.12339      30.34792 9.998681 7.117682 9.998681 7.117682 -0.000000      0.000000 
1 1 1 -30 0  36 o 24.82607 11.75165 60.45476       32.36399 60.45476       32.36399 60.45476       32.36399 24.82607 11.75165 24.82607 11.75165 0.000000       0.000000 
1 1 1 -30 0  37 o 11.72727 8.085450 -8.516810      30.90097 -8.516810      30.90097 -8.516810      30.90097 11.72727 8.085450 11.72727 8.085450 0.000000       0.000000 
1 1 1 -30 0  38 f 16.78356 10.34276 28.12527       33.16811 28.12527       33.16811 28.12527       33.16811 16.78356 10.34276 16.78356 10.34276 0.000000       0.000000 
1 1 1 -30 0  39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 0  40 o 11.29538 7.952430 -19.33508      34.49258 -19.33508      34.49258 -19.33508      34.49258 11.29538 7.952430 11.29538 7.952430 0.000000       0.000000 
1 1 1 -30 0  41 o 19.81956 12.47965 55.88000       51.01223 55.88000       51.01223 55.88000       51.01223 19.81956 12.47965 19.81956 12.47965 0.000000       0.000000 
1 1 1 -30 0  42 o 12.34532 8.491040 -2.975587      33.59457 -2.975587      33.59457 -2.975587      33.59457 12.34532 8.491040 12.34532 8.491040 -0.000000      0.000000 
1 1 1 -30 1  1  f 41.65551 4.070106 90.14074       16.38378 95.95663       23.64809 84.77235       22.72009 41.68514 5.965617 39.00910 6.154068 2.676041       8.570948 
1 1 1 -30 1  2  o 50.17483 3.665603 129.1199       17.87849 134.7033       25.52925 123.7461       25.04568 50.05552 5.290465 47.83531 5.445930 2.220203       7.592574 
1 1 1 -30 1  3  o 34.67648 4.744342 64.00034       15.68157 56.29036       22.41759 71.38811       21.94417 30.71056 7.518932 35.44137 6.567396 -4.730814      9.983237 
1 1 1 -30 1  4  o 31.02664 5.314412 52.46017       15.55949 54.12557       22.29254 50.87816       21.72723 30.03999 7.582121 29.12106 7.557669 0.9189281      10.70546 
1 1 1 -30 1  5  o 13.04960 5.719025 -0.3297652     13.96607 10.46828       19.93800 -10.73201      19.56918 17.41701 7.196175 13.46541 6.240759 3.951595       9.525335 
1 1 1 -30 1  6  o 11.47094 5.320535 -9.193624      14.26551 8.217771       21.57281 -22.72379      19.01698 17.32692 7.343112 11.73102 5.642375 5.595899       9.260545 
1 1 1 -30 1  7  o 17.26548 6.483467 14.44749       14.84437 21.64681       21.76054 8.181211       20.30154 20.36113 7.802171 16.96830 7.153901 3.392834       10.58547 
1 1 1 -30 1  8  o 35.43773 5.043309 67.77832       17.00071 78.70310       24.90244 58.24207       23.26615 36.58496 7.210465 30.94817 7.709261 5.636789       10.55573 
1 1 1 -30 1  9  o 49.99923 4.005155 129.9172       19.43768 127.5606       27.75681 132.1849       27.22885 47.82323 6.065854 48.94241 5.796159 -1.119183      8.389877 
1 1 1 -30 1  10 o 30.68647 5.971274 53.18843       17.29012 46.24988       24.31433 60.28629       24.59187 26.95941 8.353969 31.10406 8.024348 -4.144646      11.58356 
1 1 1 -30 1  11 o 37.92651 5.045062 77.87105       18.26493 115.2082       26.30828 43.12810       25.37787 45.30968 6.085658 25.91220 8.586849 19.39748       10.52470 
1 1 1 -30 1  12 o 26.22055 6.659546 40.51236       17.12181 50.09953       24.13798 30.80362       24.29054 28.03438 8.247037 22.62995 8.332431 5.404427       11.72361 
1 1 1 -30 1  13 o 37.40408 5.382223 76.86291       19.13890 67.45099       27.43517 85.78537       26.71228 32.36369 8.538463 37.74099 7.495245 -5.377300      11.36152 
1 1 1 -30 1  14 f 57.83851 3.993230 174.3771       22.46847 208.6424       32.35450 142.4605       31.22598 61.77023 5.405594 49.78096 6.568480 11.98927       8.506784 
1 1 1 -30 1  15 o 27.25391 6.792030 44.28587       18.05333 46.32863       25.65823 42.28305       25.40616 26.54134 8.625463 25.45740 8.594316 1.083937       12.17624 
1 1 1 -30 1  16 f 24.40912 7.155538 36.38164       18.19850 8.510401       25.35001 66.02014       26.14137 17.90292 7.777767 32.02800 8.278705 -14.12508      11.35916 
1 1 1 -30 1  17 o 49.45846 4.513554 130.4671       21.61016 131.4203       30.21284 129.4686       30.92226 47.44713 6.690963 46.79058 6.963475 0.6565552      9.657067 
1 1 1 -30 1  18 o 26.27749 8.180207 44.97520       23.28347 47.06032       26.07459 36.77000       51.72460 26.46122 8.701143 24.38052 10.83066 2.080700       13.89292 
1 1 1 -30 1  19 o 20.06948 7.892871 22.21857       22.71897 24.26639       25.28564 13.64000       51.75304 20.76278 8.275326 21.97042 10.17081 -1.207634      13.11207 
1 1 1 -30 1  20 o 21.07979 9.755857 8.906000       47.56839 8.906000       47.56839 0.000000       0.000000 21.07979 9.755857 ?        ?        ?              ?        
1 1 1 -30 1  21 o 17.99263 8.363829 -4.379946      35.55065 -0.6368000     49.35267 -8.417000      51.25362 20.37374 9.593578 20.00539 9.524141 0.3683453      13.51836 
1 1 1 -30 1  22 o 12.91797 6.221063 -23.54177      23.28788 -165.8000      52.85112 10.73326       25.94206 13.42257 6.853604 18.10968 7.867826 -4.687117      10.43430 
1 1 1 -30 1  23 o 18.07307 7.300890 16.12727       19.96128 0.2387251      28.44288 31.54784       28.02089 16.96138 7.736096 22.13429 8.746843 -5.172916      11.67709 
1 1 1 -30 1  24 f 13.90500 6.672823 -21.86807      26.25407 -41.98000      30.79140 31.69000       50.24758 13.52603 6.652267 22.95832 10.39680 -9.432294      12.34286 
1 1 1 -30 1  25 f 23.33846 8.537382 37.51484       25.43413 34.28000       35.22095 41.04000       36.76746 22.54989 9.459826 23.65652 9.772992 -1.106632      13.60146 
1 1 1 -30 1  26 o 22.83123 8.291157 35.27231       23.92557 28.42159       30.19500 46.83000       39.21953 21.34626 8.841092 24.47776 10.10112 -3.131504      13.42377 
1 1 1 -30 1  27 o 17.81073 7.574790 13.88600       23.09377 29.13670       28.84552 -13.34000      38.54121 21.23843 8.702661 17.15907 8.194006 4.079361       11.95316 
1 1 1 -30 1  28 o 27.75268 7.852260 52.41108       22.28361 42.79646       30.68878 63.13385       32.40910 23.69623 9.215786 27.92320 9.698483 -4.226965      13.37876 
1 1 1 -30 1  29 o 51.01067 5.102194 146.5133       25.13408 123.0279       34.46565 173.1897       36.73247 41.96330 8.677628 51.99193 7.428802 -10.02863      11.42315 
1 1 1 -30 1  30 o 17.62461 7.438710 15.07975       21.98888 13.78893       30.16032 16.54437       32.12667 18.45640 8.230214 19.05073 8.494820 -0.5943298     11.82786 
1 1 1 -30 1  31 o 19.63548 7.879083 24.18553       23.08033 25.72160       32.19777 22.56197       33.10206 20.35820 8.805224 19.94613 8.771024 0.4120789      12.42831 
1 1 1 -30 1  32 o 24.95880 10.02921 54.61667       37.45129 72.85000       54.56810 38.38000       51.49374 25.77951 11.30108 22.38195 10.28335 3.397558       15.27945 
1 1 1 -30 1  33 o 39.90888 6.432594 97.77055       24.27416 107.0845       34.27151 88.39400       34.38647 37.49667 9.365806 32.70488 9.897356 4.791790       13.62630 
1 1 1 -30 1  34 o 18.77811 7.682113 21.10582       22.43148 18.43267       31.53374 23.84408       31.91552 19.05640 8.461539 19.86197 8.676365 -0.8055687     12.11928 
1 1 1 -30 1  35 o 24.18372 8.097098 42.43642       22.55410 20.36918       31.72742 64.97988       32.06794 19.31959 8.537443 27.70457 9.645830 -8.384979      12.88138 
1 1 1 -30 1  36 f 36.68974 6.931327 85.89559       23.98042 86.38374       34.27891 85.42773       33.55939 32.03688 9.917800 32.10054 9.790594 -0.6365585E-01 13.93623 
1 1 1 -30 1  37 o 18.08862 7.565697 18.53895       22.42653 46.47984       31.77155 -9.207029      31.66054 23.49460 9.304559 15.74062 7.491442 7.753987       11.94557 
1 1 1 -30 1  38 o 19.32080 7.853663 24.43176       23.26356 11.39491       32.81760 37.59979       32.98229 18.02633 8.255081 21.71655 9.134951 -3.690228      12.31234 
1 1 1 -30 1  39 o 11.96879 5.870914 -29.25922      23.48576 3.396798       32.95638 -62.95618      33.47752 17.06735 7.973335 12.44911 6.250902 4.618234       10.13153 
1 1 1 -30 1  40 o 20.49911 8.512928 31.79135       28.09977 28.96061       33.97501 37.92000       49.99101 20.03330 8.844556 21.09542 9.843567 -1.062119      13.23337 
1 1 1 -30 1  41 o 12.94703 6.359151 -29.26193      27.84211 13.65000       49.29630 -49.36209      33.73845 18.87430 9.079756 13.00062 6.490287 5.873680       11.16090 
1 1 1 -30 1  42 o 15.83665 7.590891 -5.125102      33.75349 0.000000       0.000000 -5.125102      33.75349 ?        ?        15.83665 7.590891 ?              ?        
1 1 1 -30 2  1  o 52.34456 4.364772 143.1518       22.16013 130.0931       25.93237 178.5000       42.66540 48.99593 5.502215 54.44760 8.264874 -5.451672      9.928873 
1 1 1 -30 2  2  o 49.87063 4.086680 129.0096       19.77421 96.68000       31.89439 149.1962       25.20261 39.63550 8.477512 53.00513 4.913525 -13.36963      9.798517 
1 1 1 -30 2  3  o 32.38204 5.120843 56.66846       15.69213 49.60582       22.28156 63.61872       22.10357 28.60778 7.761509 33.04891 7.048036 -4.441130      10.48408 
1 1 1 -30 2  4  o 36.02967 4.708039 69.00020       16.20695 45.32019       23.16443 91.70678       22.68332 27.12524 8.104281 40.79618 5.847396 -13.67094      9.993568 
1 1 1 -30 2  5  o 46.73610 3.964459 113.1151       17.96508 105.9594       25.91708 119.7333       24.92488 43.52610 6.263260 46.92235 5.533116 -3.396255      8.357261 
1 1 1 -30 2  6  f 28.07705 5.916594 44.28617       15.74657 60.09565       23.12657 30.62200       21.50028 31.63224 7.570331 22.78371 7.900142 8.848526       10.94176 
1 1 1 -30 2  7  o 19.24183 6.585884 20.38603       14.92524 15.33892       21.97691 24.70662       20.33370 18.88116 7.648613 21.01286 7.641642 -2.131701      10.81184 
1 1 1 -30 2  8  o 22.80865 6.670645 30.33252       15.83175 42.44357       23.56925 20.37544       21.37081 26.05023 8.247443 19.93628 7.707763 6.113958       11.28849 
1 1 1 -30 2  9  o 25.26522 6.526327 37.20343       16.25306 33.92696       23.57125 40.17322       22.44096 23.57012 8.265430 25.42179 8.047507 -1.851671      11.53602 
1 1 1 -30 2  10 o 21.70105 6.805905 27.54581       16.08599 13.18852       23.20829 40.82033       22.31600 18.53742 7.720576 25.56987 8.015796 -7.032454      11.12925 
1 1 1 -30 2  11 o 32.44010 5.771567 58.90307       17.65487 54.04470       25.20764 63.58080       24.73459 29.04597 8.394887 32.00005 7.935830 -2.954082      11.55212 
1 1 1 -30 2  12 f 18.10457 6.858703 16.58432       16.69507 14.99328       23.93633 18.09156       23.29743 18.98105 7.867500 19.52700 7.887716 -0.5459461     11.14063 
1 1 1 -30 2  13 o 39.96462 4.989867 86.38046       19.09547 84.96026       27.12992 87.77481       26.88194 37.36139 7.675502 38.20499 7.456176 -0.8435936     10.70084 
1 1 1 -30 2  14 o 14.49946 6.285682 2.646266       16.48403 5.361838       23.67416 0.9075892E-01  22.96585 17.06667 7.463581 16.01285 7.158353 1.053814       10.34152 
1 1 1 -30 2  15 o 18.24844 7.023762 16.84081       17.68912 13.03546       24.79305 20.78630       25.24548 18.63808 7.884225 20.24356 8.198710 -1.605484      11.37453 
1 1 1 -30 2  16 o 13.59673 6.142220 -3.506381      17.41007 24.91762       24.02322 -34.94971      25.26696 20.96991 8.154248 12.66518 6.186440 8.304730       10.23542 
1 1 1 -30 2  17 o 20.01405 7.294862 22.98666       18.54483 -3.226793      24.60431 57.46623       28.21825 15.85557 7.217586 28.98752 9.002514 -13.13196      11.53858 
1 1 1 -30 2  18 o 14.66662 6.712240 -5.422295      21.65106 9.291948       23.74984 -77.81000      52.67737 17.61553 7.590357 16.46648 8.202967 1.149050       11.17596 
1 1 1 -30 2  19 o 45.56511 6.954010 123.6304       30.03412 123.6304       30.03412 0.000000       0.000000 45.56511 6.954010 ?        ?        ?              ?        
1 1 1 -30 2  20 o 28.47285 10.20107 61.98991       36.06995 57.93000       49.74757 66.49000       52.37502 26.67440 11.21960 27.69735 11.57163 -1.022947      16.11776 
1 1 1 -30 2  21 o 13.96326 6.573967 -13.73521      23.15767 -52.26000      47.16233 -1.495943      26.58293 16.59085 8.173822 16.45412 7.494755 0.1367340      11.08976 
1 1 1 -30 2  22 o 15.44619 7.006687 -1.741659      22.93778 -4.828000      50.11653 -0.9238126     25.79852 19.99743 9.490924 16.28842 7.405273 3.709007       12.03809 
1 1 1 -30 2  23 o 20.66530 8.547701 24.14343       28.17273 0.000000       0.000000 24.14343       28.17273 ?        ?        20.66530 8.547701 ?              ?        
1 1 1 -30 2  24 o 33.95992 7.421860 72.63798       23.98032 78.67000       37.00412 68.27065       31.48667 31.29564 10.36880 30.26534 9.526147 1.030306       14.08046 
1 1 1 -30 2  25 o 38.93150 8.521844 102.1601       31.57125 133.9000       39.84657 48.63000       51.74722 42.96589 9.704583 24.50971 10.86351 18.45617       14.56691 
1 1 1 -30 2  26 o 34.88477 7.519233 77.66789       24.91802 85.58234       31.19258 63.71000       41.42390 34.62850 9.089374 27.09196 10.65682 7.536535       14.00659 
1 1 1 -30 2  27 o 22.20184 8.248401 33.53436       23.89761 38.03773       29.68450 25.24000       40.28577 22.97711 9.026385 21.21037 9.481419 1.766747       13.09095 
1 1 1 -30 2  28 o 30.31239 8.058166 63.03469       24.31800 44.07955       30.00199 99.34000       41.52135 23.99273 9.169341 33.23032 10.98245 -9.237591      14.30703 
1 1 1 -30 2  29 o 22.97038 7.941411 36.57513       21.71865 55.95403       29.34941 13.11788       32.29041 26.74599 9.232380 18.71880 8.418515 8.027197       12.49433 
1 1 1 -30 2  30 o 16.57343 7.170771 10.20486       21.36884 17.86224       28.85020 0.8982207      31.80572 18.90487 8.253913 17.07664 7.928806 1.828236       11.44522 
1 1 1 -30 2  31 o 19.81404 7.740036 25.12026       21.72364 18.50805       29.28235 33.21390       32.39696 19.04293 8.314819 21.56831 9.061903 -2.525377      12.29855 
1 1 1 -30 2  32 o 13.96385 6.480637 -5.752594      21.21223 -6.093342      29.08574 -5.365437      31.00324 15.79938 7.416130 16.24768 7.636047 -0.4482985     10.64463 
1 1 1 -30 2  33 o 26.53084 7.992622 49.94759       22.46102 39.76059       30.98164 61.23373       32.61024 22.59166 9.106514 26.82124 9.688089 -4.229582      13.29615 
1 1 1 -30 2  34 o 26.16187 8.107367 49.34814       22.89960 82.47423       32.70739 17.49695       32.07182 31.81561 9.657821 18.96627 8.470312 12.84934       12.84600 
1 1 1 -30 2  35 o 23.69290 8.137854 40.89866       22.79356 31.85903       31.07942 51.41990       33.52979 21.07867 8.867126 24.49239 9.601717 -3.413719      13.06977 
1 1 1 -30 2  36 o 18.58761 7.660729 20.43496       22.52005 26.53699       31.70260 14.21956       31.99574 20.18333 8.733422 18.46917 8.336537 1.714155       12.07355 
1 1 1 -30 2  37 o 21.30397 8.081678 32.79020       23.19842 5.765534       32.60915 60.48260       33.00955 17.40325 8.062409 26.13695 9.697252 -8.733700      12.61107 
1 1 1 -30 2  38 o 43.03445 6.190270 113.3145       25.32619 126.3470       35.99825 100.5417       35.63776 40.69329 9.248195 34.47932 9.986611 6.213966       13.61108 
1 1 1 -30 2  39 o 29.96931 9.045305 71.79303       28.74792 69.30706       35.03097 76.92000       50.30774 27.19260 10.00746 25.41052 10.99841 1.782076       14.86991 
1 1 1 -30 2  40 o 18.39388 7.803012 20.88640       24.40034 11.07308       34.09137 31.19365       34.93881 17.82918 8.254103 20.32884 8.972337 -2.499653      12.19151 
1 1 1 -30 2  41 o 21.85451 8.701004 40.18873       27.92414 66.28000       48.58871 27.32124       34.12202 23.46412 10.45587 19.51148 8.723706 3.952637       13.61721 
1 1 1 -30 2  42 o 16.89948 7.961031 6.136166       34.05035 0.000000       0.000000 6.136166       34.05035 ?        ?        16.89948 7.961031 ?              ?        
1 1 1 -30 3  1  f 30.66287 5.305196 51.28458       15.34671 46.53852       22.78010 55.22867       20.76645 27.54305 7.986382 30.70683 7.057232 -3.163782      10.65771 
1 1 1 -30 3  2  o 30.75059 5.243327 51.45866       15.21658 39.34577       22.18030 62.22839       20.91444 25.39932 7.995462 32.89355 6.722978 -7.494230      10.44633 
1 1 1 -30 3  3  o 48.98464 3.820885 123.7076       18.17537 130.1767       26.84324 118.2312       24.69825 48.77785 5.731427 46.64367 5.516249 2.134178       7.954763 
1 1 1 -30 3  4  o 60.40933 3.473025 186.2809       20.44955 172.2722       29.53160 199.1865       28.34495 56.46786 5.408978 61.39215 4.753915 -4.924286      7.201163 
1 1 1 -30 3  5  o 27.46210 6.077920 42.70160       15.90534 19.44768       23.21472 63.27480       21.83566 20.04818 7.949090 32.93302 6.990227 -12.88484      10.58543 
1 1 1 -30 3  6  o 36.87911 4.831416 72.73110       17.02158 77.87637       25.13793 68.37447       23.13135 36.32485 7.323159 34.10859 7.157007 2.216263       10.23970 
1 1 1 -30 3  7  o 28.10628 6.130531 44.91314       16.38994 55.25758       24.22030 36.17451       22.26117 29.81052 8.093951 24.31384 8.041744 5.496683       11.40972 
1 1 1 -30 3  8  o 13.14878 5.825713 -1.354052      14.86726 0.5595772      21.92804 -2.982127      20.22591 15.93092 7.065861 14.81120 6.661797 1.119719       9.711123 
1 1 1 -30 3  9  o 33.37512 5.500029 61.48801       17.34243 79.68044       26.74319 48.28568       22.78207 36.17676 7.783296 27.82077 7.962244 8.355988       11.13450 
1 1 1 -30 3  10 o 55.50245 3.836508 159.4845       20.71447 151.8668       30.00436 166.4218       28.63310 52.19542 5.980693 55.31242 5.355510 -3.117001      8.028087 
1 1 1 -30 3  11 o 56.77305 3.862408 167.0825       21.33599 154.3392       30.38828 179.4720       29.96349 52.54205 6.017127 57.36847 5.399455 -4.826424      8.084549 
1 1 1 -30 3  12 o 18.22366 6.837254 17.10082       16.50088 33.70441       23.82168 1.786100       22.87841 23.36279 8.298841 16.30987 7.226512 7.052923       11.00424 
1 1 1 -30 3  13 o 44.44258 4.621669 105.3256       19.81171 86.75765       27.87894 124.2687       28.15915 37.57140 7.834842 46.74485 6.315745 -9.173450      10.06347 
1 1 1 -30 3  14 o 54.19615 4.163952 154.0818       21.92001 127.8424       29.85071 184.7889       32.29220 46.99535 6.676919 57.63327 5.803169 -10.63792      8.846355 
1 1 1 -30 3  15 o 26.46874 6.929389 42.21075       18.16002 42.60557       24.65593 41.74261       26.84817 25.56890 8.463491 25.15320 8.821224 0.4157009      12.22476 
1 1 1 -30 3  16 o 17.03153 6.962167 11.80670       18.40630 20.11376       25.12608 2.185864       27.04004 20.00177 8.150231 17.24764 7.734581 2.754126       11.23610 
1 1 1 -30 3  17 o 13.46523 6.411545 -19.18565      23.24638 -19.18565      23.24638 0.000000       0.000000 13.46523 6.411545 ?        ?        ?              ?        
1 1 1 -30 3  18 o 20.62593 9.065654 16.65323       35.32478 32.05000       47.58826 -2.242000      52.71826 23.60651 10.44274 20.83973 9.844135 2.766777       14.35123 
1 1 1 -30 3  19 o 32.19997 7.751732 65.52195       24.13698 67.64295       27.12687 57.46000       52.88704 31.91097 8.523446 26.57003 11.38584 5.340940       14.22274 
1 1 1 -30 3  20 o 11.09930 5.363543 -21.78167      17.67164 -26.92167      23.92809 -15.61432      26.21052 12.84659 6.215955 14.67593 6.935133 -1.829340      9.313118 
1 1 1 -30 3  21 o 33.31858 8.018439 71.60651       25.83293 3.539000       50.47598 95.76208       30.06932 20.78686 9.761155 38.49799 8.229073 -17.71113      12.76706 
1 1 1 -30 3  22 o 18.13762 7.966286 9.716672       27.23237 0.000000       0.000000 9.716672       27.23237 ?        ?        18.13762 7.966286 ?              ?        
1 1 1 -30 3  23 o 28.58335 9.282583 59.68860       29.71951 0.000000       0.000000 59.68860       29.71951 ?        ?        28.58335 9.282583 ?              ?        
1 1 1 -30 3  24 o 28.02258 9.435807 58.75738       30.62513 0.000000       0.000000 58.75738       30.62513 ?        ?        28.02258 9.435807 ?              ?        
1 1 1 -30 3  25 o 14.51574 6.715806 -6.401381      22.51463 -30.30000      34.97669 10.50733       29.42033 15.28674 7.424473 18.38703 8.168201 -3.100286      11.03822 
1 1 1 -30 3  26 o 18.78562 7.915079 17.23947       24.82635 19.58391       28.65372 10.18000       49.72186 19.64244 8.398113 20.63159 9.688156 -0.9891567     12.82141 
1 1 1 -30 3  27 f 21.29518 8.063676 29.91204       23.07019 42.64719       28.76334 6.943000       38.62857 23.99349 9.021779 18.99385 8.790815 4.999640       12.59647 
1 1 1 -30 3  28 o 27.89815 8.239692 54.87166       24.05506 40.54616       29.30534 84.46000       42.11650 23.25610 9.016478 29.92027 10.97940 -6.664173      14.20719 
1 1 1 -30 3  29 o 37.71180 6.634663 87.49298       23.59694 87.60023       31.98776 87.36494       34.95099 34.04774 9.325367 32.76984 9.990891 1.277908       13.66676 
1 1 1 -30 3  30 o 13.11222 6.190941 -11.43690      20.80520 12.70953       27.84035 -41.97770      31.31039 17.98099 7.969095 13.32732 6.583615 4.653669       10.33685 
1 1 1 -30 3  31 f 14.06824 6.481106 -3.953654      20.64804 6.495792       27.77069 -16.87167      30.87721 17.10083 7.738189 15.13581 7.256364 1.965018       10.60822 
1 1 1 -30 3  32 o 18.97802 7.607757 21.83205       21.49594 22.75713       28.73614 20.65672       32.39059 19.62658 8.401204 19.56620 8.637206 0.6038475E-01  12.04913 
1 1 1 -30 3  33 o 14.98290 6.787961 1.250486       21.44600 -7.700450      29.06738 11.94401       31.77109 15.54822 7.333974 18.25771 8.267742 -2.709493      11.05182 
1 1 1 -30 3  34 o 21.78983 7.944576 33.58964       21.99776 38.40156       29.69925 27.74126       32.74190 22.31801 8.943818 20.45139 8.862361 1.866623       12.59100 
1 1 1 -30 3  35 o 21.20965 7.987028 31.59240       22.56231 -4.436395      30.44747 75.47071       33.60093 16.09874 7.566440 29.68744 9.881894 -13.58870      12.44600 
1 1 1 -30 3  36 o 21.18846 8.022727 31.71935       22.83556 23.25321       31.13800 41.57129       33.58994 19.64513 8.576063 22.60705 9.340458 -2.961926      12.68042 
1 1 1 -30 3  37 o 27.61873 8.136389 55.63894       23.48052 44.84664       32.75673 67.04497       33.67525 23.03878 9.336063 27.37077 9.850437 -4.331991      13.57178 
1 1 1 -30 3  38 o 19.54561 8.290705 24.83669       27.54072 36.25233       33.34162 0.3199000      48.86168 21.49164 9.119400 18.60270 8.971894 2.888937       12.79290 
1 1 1 -30 3  39 o 17.42564 7.798570 12.61207       27.33847 29.94305       33.12928 -24.38000      48.40104 20.32285 8.859428 16.89859 8.316693 3.424267       12.15141 
1 1 1 -30 3  40 o 12.87262 6.214261 -18.26480      23.57708 -30.09739      33.80689 -7.060055      32.89775 14.25072 7.001050 15.85880 7.572337 -1.608079      10.31286 
1 1 1 -30 3  41 o 16.02471 7.403523 4.650651       27.22108 0.2294000      45.87444 7.053399       33.81834 17.69182 8.571446 17.12690 8.025675 0.5649223      11.74228 
1 1 1 -30 3  42 o 13.77325 6.562387 -9.532361      24.43253 -23.27888      35.45594 2.897625       33.71537 14.73601 7.225257 16.55487 7.835715 -1.818868      10.65846 
1 1 1 -30 4  1  o 45.10687 3.975108 105.5142       17.37145 67.29980       24.84363 142.0724       24.29930 33.38152 7.752242 51.69987 4.858684 -18.31836      9.148993 
1 1 1 -30 4  2  o 52.30120 3.723977 140.6948       18.93976 140.4339       28.33654 140.9054       25.46303 50.54230 5.834760 51.24242 5.146211 -0.7001114     7.779969 
1 1 1 -30 4  3  f 21.99293 6.508450 27.84837       14.99642 19.46210       22.67295 34.37053       19.99490 19.96310 7.874485 23.94378 7.598310 -3.980679      10.94266 
1 1 1 -30 4  4  o 31.43409 5.454656 54.28566       16.17489 65.00704       24.76793 46.31290       21.35840 32.68373 7.842344 27.61172 7.642769 5.072004       10.95054 
1 1 1 -30 4  5  o 50.79346 3.860072 133.3360       19.04782 125.1092       28.06463 140.3625       25.93643 47.29285 6.212677 50.99038 5.272528 -3.697529      8.148430 
1 1 1 -30 4  6  o 52.82175 3.824895 144.1006       19.64204 129.0989       28.28791 158.0674       27.29479 48.06781 6.153219 54.15729 5.213261 -6.089481      8.064751 
1 1 1 -30 4  7  o 19.53613 6.726685 21.24173       15.57678 31.59613       23.36100 12.95288       20.90143 22.96157 8.211510 18.07324 7.407106 4.888327       11.05867 
1 1 1 -30 4  8  o 28.94813 6.074702 47.65597       16.66304 71.13402       25.34393 29.77936       22.11493 34.14577 7.759618 22.39139 7.991541 11.75438       11.13896 
1 1 1 -30 4  9  o 48.91804 4.096393 124.9652       19.43453 113.6176       28.29990 135.0933       26.73590 44.41125 6.719906 49.56884 5.608784 -5.157597      8.753034 
1 1 1 -30 4  10 o 44.95172 4.363269 106.5918       18.95717 134.6176       28.62843 84.70676       25.29832 48.97002 6.104775 37.91883 7.076218 11.05119       9.345648 
1 1 1 -30 4  11 o 63.36885 3.683891 207.0684       22.75161 193.7772       32.66740 219.5882       31.70544 59.25278 5.702833 63.78646 5.121070 -4.533676      7.664702 
1 1 1 -30 4  12 o 23.92817 6.950474 34.25427       17.23997 36.38967       24.63152 32.20359       24.13797 24.04494 8.447931 22.95247 8.328930 1.092472       11.86333 
1 1 1 -30 4  13 o 24.18614 7.165668 35.47372       18.16957 39.68968       25.46263 31.09982       25.93520 24.81079 8.597648 22.65389 8.556126 2.156902       12.12959 
1 1 1 -30 4  14 o 64.19505 3.847671 213.9816       24.06623 202.0018       33.05791 227.4901       35.10371 60.41019 5.656386 64.13538 5.649455 -3.725189      7.994438 
1 1 1 -30 4  15 o 16.35061 6.917629 7.964690       19.09127 16.45655       23.64666 -7.933000      32.35455 19.07314 7.854317 17.20757 7.992105 1.865578       11.20554 
1 1 1 -30 4  16 o 21.83209 8.267758 28.74594       24.25406 28.74594       24.25406 0.000000       0.000000 21.83209 8.267758 ?        ?        ?              ?        
1 1 1 -30 4  17 o 19.19311 8.628566 7.135129       33.88586 -5.438000      44.54733 24.40000       52.20134 19.55576 9.178924 23.14364 10.52654 -3.587881      13.96641 
1 1 1 -30 4  18 o 17.22217 7.399235 8.864112       22.44353 20.14225       24.75745 -43.15000      53.16769 19.84876 8.089344 18.19837 8.907208 1.650389       12.03228 
1 1 1 -30 4  19 o 11.40376 5.463885 -18.39192      17.44871 -14.08103      23.73269 -23.46367      25.74200 14.13759 6.655746 13.75441 6.602358 0.3831787      9.374970 
1 1 1 -30 4  20 o 12.61833 5.889395 -10.36169      17.91229 -34.11499      23.96115 19.72775       26.96824 12.22303 5.981945 19.94962 8.316707 -7.726587      10.24457 
1 1 1 -30 4  21 o 11.96595 5.747992 -20.44025      19.59053 -10.92000      28.99900 -28.43269      26.57043 15.86169 7.432494 13.48815 6.532080 2.373540       9.894950 
1 1 1 -30 4  22 f 16.89847 7.648952 1.660992       27.15852 0.000000       0.000000 1.660992       27.15852 ?        ?        16.89847 7.648952 ?              ?        
1 1 1 -30 4  23 o 22.56938 8.826306 33.76273       28.27527 0.000000       0.000000 33.76273       28.27527 ?        ?        22.56938 8.826306 ?              ?        
1 1 1 -30 4  24 o 23.61283 8.607339 38.52980       25.81905 -12.44000      51.93425 55.26310       29.75693 19.34745 9.310479 27.25892 9.300001 -7.911465      13.15960 
1 1 1 -30 4  25 o 35.97368 6.430947 77.27148       21.81344 67.31453       29.99113 88.45495       31.78468 30.20736 9.263612 35.21428 9.142026 -5.006912      13.01504 
1 1 1 -30 4  26 o 16.95512 7.302269 10.17589       21.96078 -26.61000      32.32900 41.69360       29.92463 14.90209 7.214053 23.83517 9.145389 -8.933084      11.64821 
1 1 1 -30 4  27 f 24.92972 9.228368 47.58669       29.86374 47.58669       29.86374 0.000000       0.000000 24.92972 9.228368 ?        ?        ?              ?        
1 1 1 -30 4  28 o 13.52725 6.406363 -12.96176      22.59850 -19.71637      27.48289 1.140000       39.70989 14.15740 6.802600 18.34651 8.628568 -4.189111      10.98761 
1 1 1 -30 4  29 o 16.45541 7.300764 7.066286       23.42839 6.027446       28.70294 9.140000       40.55334 17.24197 7.827858 19.13042 8.906312 -1.888451      11.85739 
1 1 1 -30 4  30 o 27.43802 7.959873 52.63252       22.62402 93.53321       30.49637 2.570971       33.73922 36.04221 8.736355 17.52732 8.147676 18.51489       11.94607 
1 1 1 -30 4  31 o 21.66840 7.927449 32.35852       21.93082 34.92940       29.15847 29.00991       33.27790 21.92560 8.835752 20.92170 8.999562 1.003897       12.61200 
1 1 1 -30 4  32 o 28.35162 8.659563 60.02246       26.24124 75.98122       30.91763 18.91000       49.62419 31.01667 9.384539 20.46264 9.630633 10.55403       13.44688 
1 1 1 -30 4  33 o 13.53490 6.351912 -8.866683      21.31846 -7.891788      28.70296 -10.06616      31.83787 15.45233 7.288473 15.85523 7.536412 -0.4029055     10.48424 
1 1 1 -30 4  34 o 18.52823 7.618111 20.15213       22.20076 5.883513       29.91964 37.63269       33.11640 17.18430 7.874228 22.01576 9.199918 -4.831459      12.10958 
1 1 1 -30 4  35 o 28.59027 7.960005 57.68418       23.09417 74.31915       31.71604 38.90986       33.69380 30.03254 9.574207 22.17631 9.274309 7.856228       13.32960 
1 1 1 -30 4  36 o 16.39071 7.179853 9.557125       21.98870 -0.6700537     30.03778 21.36534       32.27617 16.39137 7.642484 19.42359 8.595870 -3.032225      11.50202 
1 1 1 -30 4  37 o 18.93878 7.770148 22.61531       23.03178 13.91527       30.48124 34.19220       35.16154 18.10779 8.158417 21.16845 9.178495 -3.060654      12.28025 
1 1 1 -30 4  38 o 15.45487 7.172448 -1.315797      25.98041 30.64196       30.91189 -78.20000      47.94640 20.59904 8.762262 14.53499 7.322203 6.064041       11.41893 
1 1 1 -30 4  39 o 13.50828 6.404797 -10.50588      22.71364 3.823455       31.30933 -26.42579      33.00130 16.80257 7.823607 14.42536 7.051360 2.377209       10.53236 
1 1 1 -30 4  40 o 20.53284 8.363906 32.20546       26.45048 35.17000       42.75261 30.36700       33.66753 20.70260 9.458527 20.11034 8.844345 0.5922565      12.94937 
1 1 1 -30 4  41 o 15.75054 7.127141 7.072204       23.55767 -1.291713      33.47051 15.28303       33.16278 16.24134 7.722022 17.90654 8.236385 -1.665201      11.29016 
1 1 1 -30 4  42 o 21.75750 8.323649 38.92297       24.73970 8.000738       35.54649 67.97290       34.45354 17.23024 8.122133 25.87258 9.840933 -8.642338      12.75982 
1 1 1 -30 5  1  o 76.05171 3.260381 293.8879       24.21439 277.0460       35.22490 308.9767       33.34132 72.04343 5.026692 76.77526 4.455797 -4.731834      6.717273 
1 1 1 -30 5  2  o 73.00462 3.310314 271.1595       23.59361 249.8533       34.27308 290.3513       32.52807 68.23991 5.169532 74.38141 4.488626 -6.141495      6.846300 
1 1 1 -30 5  3  o 47.44601 3.913823 116.6472       18.01486 131.0706       27.55400 105.8788       23.80821 48.67916 5.903250 43.89715 5.673509 4.782013       8.187616 
1 1 1 -30 5  4  o 42.78659 4.208512 95.83707       17.39767 88.98227       26.45857 101.0583       23.09172 38.92955 7.208963 42.89241 5.636343 -3.962860      9.150821 
1 1 1 -30 5  5  o 29.81306 5.857063 49.88698       16.48202 68.15311       25.25138 36.32837       21.75552 33.37807 7.859736 24.34740 7.944530 9.030670       11.17546 
1 1 1 -30 5  6  o 44.39322 4.333426 103.6477       18.59069 109.0095       28.20161 99.52702       24.72293 43.42749 6.862112 42.05694 6.190613 1.370548       9.241876 
1 1 1 -30 5  7  o 40.01362 4.648311 85.31195       17.86734 92.35944       26.91033 79.75571       23.89418 39.55746 7.215786 37.01698 6.846669 2.540485       9.947082 
1 1 1 -30 5  8  o 29.96036 5.948142 50.76971       16.82806 52.24627       25.47955 49.62734       22.41152 28.48951 8.496690 28.26728 7.830720 0.2222290      11.55482 
1 1 1 -30 5  9  o 42.32528 4.480722 94.95586       18.28170 116.6232       27.44525 77.67348       24.51126 45.30556 6.364056 36.18578 7.173790 9.119781       9.589810 
1 1 1 -30 5  10 o 36.02695 5.202369 70.89775       17.81499 73.14980       26.53549 69.04972       24.03769 34.24203 8.053020 33.76945 7.470353 0.4725800      10.98441 
1 1 1 -30 5  11 o 27.12483 6.654709 43.33363       17.53323 46.26595       24.80135 40.40398       24.79011 26.77645 8.458101 25.12949 8.489468 1.646961       11.98376 
1 1 1 -30 5  12 o 34.79961 5.823131 68.04462       19.13499 60.80753       27.11169 75.22780       27.01051 30.44001 8.677574 34.59745 8.116795 -4.157436      11.88203 
1 1 1 -30 5  13 o 14.27712 6.312581 0.1048547      17.36849 1.784974       24.14414 -1.697055      25.00392 16.57628 7.379556 16.27412 7.355422 0.3021679      10.41922 
1 1 1 -30 5  14 o 19.08969 7.202431 19.61289       18.36687 12.70409       24.38801 28.66623       27.91768 18.47238 7.817100 22.10224 8.731802 -3.629862      11.71970 
1 1 1 -30 5  15 o 17.21812 7.531711 6.278521       24.12167 6.278521       24.12167 0.000000       0.000000 17.21812 7.531711 ?        ?        ?              ?        
1 1 1 -30 5  16 o 26.39398 9.964630 50.30596       35.16867 40.32000       46.66832 63.43000       53.50090 24.67654 10.63651 27.61000 11.62542 -2.933456      15.75708 
1 1 1 -30 5  17 o 25.24354 8.105245 41.32809       22.69966 39.93142       24.95633 48.02000       54.62708 24.61583 8.512663 25.62102 11.26694 -1.005194      14.12124 
1 1 1 -30 5  18 o 29.29550 6.814737 51.76010       19.17183 51.16656       25.70927 52.50363       28.77514 27.52133 8.600154 27.35560 9.145657 0.1657352      12.55411 
1 1 1 -30 5  19 o 36.71015 5.910769 76.92823       20.51810 87.92120       27.64812 63.45237       30.61162 37.40179 7.804790 29.79468 9.394838 7.607111       12.21383 
1 1 1 -30 5  20 o 35.54159 6.745296 75.38033       22.60813 96.26000       34.90250 60.28654       29.67521 36.83267 9.588787 29.08163 9.259926 7.751034       13.33008 
1 1 1 -30 5  21 f 47.87119 5.201182 126.7409       23.98024 72.43000       36.11142 169.5836       32.07299 30.47491 10.24610 54.24532 6.148797 -23.77041      11.94949 
1 1 1 -30 5  22 o 20.73972 8.536229 24.67924       27.91210 0.000000       0.000000 24.67924       27.91210 ?        ?        20.73972 8.536229 ?              ?        
1 1 1 -30 5  23 o 13.92699 6.584981 -14.45599      23.69377 -0.4096000     50.56135 -18.40854      26.82102 20.15068 9.554707 14.39660 6.863937 5.754075       11.76461 
1 1 1 -30 5  24 o 19.03961 7.921078 18.51739       24.39094 10.53000       49.25183 21.11285       28.07550 20.72277 9.702544 19.91940 8.406247 0.8033791      12.83762 
1 1 1 -30 5  25 o 15.45044 7.081790 -2.791981      24.22427 -25.06000      48.00346 4.816216       28.05903 17.93450 8.707525 17.33304 7.816821 0.6014614      11.70144 
1 1 1 -30 5  26 o 14.50266 6.552975 -0.7053308     19.82984 -24.16123      27.12713 26.21179       29.05977 13.78603 6.657798 20.71146 8.633659 -6.925426      10.90258 
1 1 1 -30 5  27 f 32.82829 6.932878 67.56622       21.57780 31.54092       29.54064 108.7738       31.59398 21.54488 8.815107 40.01324 8.337548 -18.46835      12.13346 
1 1 1 -30 5  28 o 56.06290 5.184426 177.6273       28.12785 135.4470       32.76183 295.9000       54.85998 45.69655 7.590716 64.96185 8.858150 -19.26530      11.66558 
1 1 1 -30 5  29 o 33.75793 7.931021 77.32964       25.75889 61.81421       30.13677 119.4000       49.62528 27.85127 9.360165 33.74031 11.97868 -5.889040      15.20202 
1 1 1 -30 5  30 o 20.48387 8.158651 27.94424       24.56135 6.974055       29.79421 72.42000       43.39027 17.45778 7.945170 27.06241 10.82224 -9.604633      13.42560 
1 1 1 -30 5  31 o 22.43165 7.987657 35.25336       22.08120 32.94950       29.37508 38.24633       33.48136 21.52561 8.796812 22.40137 9.296757 -0.8757591     12.79897 
1 1 1 -30 5  32 o 22.72337 8.045654 36.95140       22.37460 26.59937       30.10878 49.71872       33.43723 20.24758 8.631382 24.27553 9.566702 -4.027952      12.88497 
1 1 1 -30 5  33 o 29.18707 7.908509 59.33610       23.15120 64.79987       31.21779 52.65884       34.51080 27.99069 9.526014 24.69009 9.722444 3.300598       13.61142 
1 1 1 -30 5  34 o 23.79104 8.156046 41.37988       22.89261 44.35247       31.46657 38.03738       33.36702 23.32386 9.252491 22.06279 9.228200 1.261074       13.06783 
1 1 1 -30 5  35 o 30.11007 7.827837 62.89208       23.28156 88.18271       32.02887 34.55846       33.90103 33.45501 9.396009 21.44805 9.151457 12.00696       13.11618 
1 1 1 -30 5  36 o 22.15023 8.102490 35.67408       22.90868 31.30714       31.01214 40.91915       33.98742 20.86938 8.822452 22.40877 9.338775 -1.539385      12.84712 
1 1 1 -30 5  37 o 16.92238 7.585033 9.588713       25.97002 6.220053       30.77041 17.93000       48.41961 17.16400 7.908928 19.84431 9.391935 -2.680305      12.27842 
1 1 1 -30 5  38 f 36.95057 7.137480 89.28452       24.88046 108.2317       34.40824 68.52117       36.01961 37.01796 9.461450 26.97288 10.10553 10.04508       13.84344 
1 1 1 -30 5  39 o 13.71595 6.567203 -14.08830      25.11198 -17.76000      39.06865 -11.50341      32.78056 16.03199 7.800192 15.52204 7.450761 0.5099573      10.78688 
1 1 1 -30 5  40 o 12.68783 6.133255 -18.61545      23.15633 4.950503       32.47634 -42.98671      33.02658 16.88385 7.896572 13.25009 6.583170 3.633761       10.28076 
1 1 1 -30 5  41 f 16.08750 7.206281 9.712259       23.40113 19.43399       32.71002 -0.4799973     33.49224 18.30550 8.328599 16.26876 7.732047 2.036741       11.36442 
1 1 1 -30 5  42 o 18.19245 7.705775 22.40536       23.73490 34.34058       33.26921 10.03424       33.87131 20.10716 8.819017 17.18882 8.047362 2.918346       11.93881 
1 1 1 -30 6  1  o 37.11958 4.786378 73.78069       16.98630 67.51064       26.47638 78.16683       22.14441 32.82824 8.250376 37.10813 6.323107 -4.279892      10.39473 
1 1 1 -30 6  2  o 57.44729 3.604548 169.5233       20.16658 159.1280       30.14790 177.9415       27.12993 53.67289 5.832118 57.79090 4.840472 -4.118011      7.579167 
1 1 1 -30 6  3  o 47.89101 3.972599 119.2195       18.45495 101.9924       27.73932 132.8999       24.71943 41.83329 7.022974 49.61462 5.165608 -7.781326      8.718123 
1 1 1 -30 6  4  f 45.82649 4.148417 109.8325       18.40689 103.6421       27.79139 114.6702       24.56813 42.20314 6.970734 45.66694 5.614233 -3.463799      8.950460 
1 1 1 -30 6  5  o 66.12260 3.473259 223.8613       22.40102 228.1194       33.71938 220.4974       29.97059 64.82480 5.362049 64.36319 4.791578 0.4616089      7.191021 
1 1 1 -30 6  6  o 50.33977 3.938416 131.6878       19.25176 103.1486       28.55864 155.4592       26.06421 41.79248 7.243615 53.78369 5.008511 -11.99121      8.806539 
1 1 1 -30 6  7  f 14.95724 6.276602 5.857478       15.51283 20.34302       24.58466 -3.725605      19.99629 20.23236 8.127239 14.56012 6.579537 5.672243       10.45669 
1 1 1 -30 6  8  o 21.90750 6.885829 28.29086       16.45704 23.17178       25.10004 32.15084       21.79573 20.88713 8.270718 22.97426 7.954862 -2.087128      11.47539 
1 1 1 -30 6  9  f 25.63579 6.584279 38.66642       16.60754 44.29928       25.14676 34.30910       22.11706 26.17776 8.541279 23.56032 8.018146 2.617432       11.71512 
1 1 1 -30 6  10 o 34.63823 5.603875 66.68192       18.35135 51.73742       26.80763 79.86127       25.17472 28.02451 8.785558 36.54841 7.292764 -8.523903      11.41799 
1 1 1 -30 6  11 o 45.08405 4.599758 108.3536       20.01443 95.53437       28.49861 120.8297       28.11466 39.67201 7.615770 45.95247 6.425994 -6.280457      9.964605 
1 1 1 -30 6  12 o 18.29245 6.993575 17.05799       17.45753 6.834942       24.17519 28.19818       25.23632 17.41764 7.580853 21.91101 8.400662 -4.493372      11.31550 
1 1 1 -30 6  13 f 15.55356 6.733718 4.343589       18.86707 -10.20272      23.17544 32.93000       32.48863 14.55079 6.760175 23.19562 9.334004 -8.644830      11.52491 
1 1 1 -30 6  14 o 26.92832 10.07454 52.67150       35.77281 60.25000       46.33609 41.49000       56.28309 27.62307 11.13602 25.20139 11.24016 2.421679       15.82253 
1 1 1 -30 6  15 o 14.74224 6.740073 -5.229960      21.75878 -4.907265      23.84350 -6.837000      53.20924 15.40150 7.046803 20.62403 9.785721 -5.222531      12.05893 
1 1 1 -30 6  16 o 33.43623 7.510238 69.12728       23.97757 68.58585       26.61515 71.46000       55.24424 32.45662 8.334829 28.45532 11.88604 4.001305       14.51714 
1 1 1 -30 6  17 o 18.64404 7.177641 18.42916       18.47561 26.67113       24.62989 7.823970       27.93871 21.25043 8.258461 18.15751 8.018259 3.092915       11.51063 
1 1 1 -30 6  18 o 17.03558 6.965727 12.22057       18.43136 7.530424       24.41377 18.43675       28.10628 17.37545 7.589357 19.89589 8.404334 -2.520433      11.32392 
1 1 1 -30 6  19 o 20.23593 7.382241 24.16021       18.99780 22.22401       26.04409 26.36202       27.77308 20.32335 8.291560 21.30189 8.609440 -0.9785347     11.95293 
1 1 1 -30 6  20 o 13.13869 6.118887 -9.720266      19.16710 -52.01000      27.37192 30.96728       26.84841 11.98892 5.962676 22.14430 8.617730 -10.15538      10.47945 
1 1 1 -30 6  21 o 14.31616 6.477790 -2.298939      19.45794 10.72000       28.59835 -13.52051      26.55095 18.49156 8.141200 14.88832 7.018614 3.603232       10.74896 
1 1 1 -30 6  22 f 19.15187 7.392826 20.73535       19.63742 6.243065       27.80307 35.16200       27.74006 17.62430 7.877658 22.86307 8.796797 -5.238770      11.80852 
1 1 1 -30 6  23 o 17.36792 7.585566 9.157823       24.38590 13.55000       49.92984 7.781917       27.94568 21.13086 9.852609 17.80547 7.932246 3.325392       12.64889 
1 1 1 -30 6  24 o 22.77809 8.393268 35.21170       24.65426 6.835000       48.53716 45.07901       28.62153 20.31328 9.549168 24.85304 9.061980 -4.539764      13.16458 
1 1 1 -30 6  25 o 24.05152 8.495416 40.50880       24.93381 54.24000       47.91116 35.40860       29.19951 25.09758 10.79718 22.61185 8.930985 2.485737       14.01219 
1 1 1 -30 6  26 o 15.41426 6.804108 4.372357       20.09885 7.362577       27.55438 0.9723884      29.38167 17.43279 7.813458 16.91567 7.770360 0.5171185      11.01947 
1 1 1 -30 6  27 o 17.50082 7.246528 15.16629       20.27812 30.84284       27.41415 -3.774638      30.13354 21.29807 8.572827 16.37910 7.642700 4.918970       11.48496 
1 1 1 -30 6  28 o 19.12218 7.576458 22.04347       21.07497 1.005906       27.86623 50.15628       32.21311 16.46415 7.564554 24.89020 9.503944 -8.426052      12.14691 
1 1 1 -30 6  29 o 14.68283 6.913035 -9.245430      25.61297 -18.28000      32.35452 5.921000       41.92016 15.30593 7.361279 18.86946 8.871680 -3.563525      11.52802 
1 1 1 -30 6  30 o 25.21076 9.098182 50.08688       28.75192 50.08688       28.75192 0.000000       0.000000 25.21076 9.098182 ?        ?        ?              ?        
1 1 1 -30 6  31 o 17.28081 7.333431 13.79910       21.56490 40.61408       28.72110 -20.85408      32.65005 23.07501 8.931641 15.14923 7.313183 7.925785       11.54369 
1 1 1 -30 6  32 o 19.23394 7.697155 23.23156       21.96524 41.70649       29.47979 0.1742628      32.93345 23.04909 9.012802 17.03268 7.961535 6.016413       12.02567 
1 1 1 -30 6  33 o 21.61600 8.020810 33.11745       22.58402 19.21451       31.25816 48.30055       32.66556 19.12071 8.460653 24.00152 9.456604 -4.880814      12.68897 
1 1 1 -30 6  34 o 20.08663 7.870031 27.07271       22.51524 -7.770923      30.60080 68.20102       33.24615 15.77692 7.466761 28.06505 9.818099 -12.28813      12.33481 
1 1 1 -30 6  35 f 15.92302 7.076118 6.691706       22.09911 -19.77553      30.14036 37.46228       32.49839 14.56123 7.028632 21.93267 9.135469 -7.371442      11.52643 
1 1 1 -30 6  36 o 16.86780 7.554632 9.192482       25.70737 -8.468184      30.26817 54.91000       48.69944 15.54848 7.378378 23.39359 10.44324 -7.845111      12.78678 
1 1 1 -30 6  37 o 15.76710 7.050995 6.192942       22.30325 -2.274415      30.20420 16.34569       33.07389 16.11025 7.560565 18.62755 8.435349 -2.517300      11.32772 
1 1 1 -30 6  38 o 19.82474 8.213652 26.91711       26.07329 85.00000       41.39314 -11.28592      33.57014 28.61986 10.80930 15.79946 7.572317 12.82040       13.19777 
1 1 1 -30 6  39 o 21.78949 8.560946 37.78433       26.70509 85.17000       42.63461 7.189325       34.25816 27.76138 10.84359 17.45193 8.145180 10.30946       13.56199 
1 1 1 -30 6  40 o 13.89805 6.550305 -6.755853      23.10244 -23.76670      31.94506 11.89604       33.45047 14.23586 6.954186 17.66846 8.178454 -3.432596      10.73535 
1 1 1 -30 6  41 o 28.63856 8.461419 65.36379       25.36334 106.8308       35.64692 22.84625       36.09565 34.17446 10.01365 18.77018 8.618664 15.40427       13.21191 
1 1 1 -30 6  42 o 19.02225 8.539982 27.40559       33.06667 57.72000       44.13114 -11.40000      49.93071 22.16305 9.914281 16.92923 8.353763 5.233826       12.96450 
1 1 1 -30 7  1  o 32.12811 5.379189 56.86202       16.31892 56.05296       25.37790 57.43243       21.30864 29.62141 8.379292 31.00935 7.164370 -1.387938      11.02455 
1 1 1 -30 7  2  o 22.99849 6.640042 31.06659       15.77816 35.51365       25.15225 28.18115       20.26029 23.88889 8.523046 21.85453 7.663031 2.034361       11.46143 
1 1 1 -30 7  3  o 21.00374 6.860053 25.63023       16.21950 36.44532       25.09195 17.86792       21.25764 24.12623 8.522268 19.19815 7.608374 4.928083       11.42438 
1 1 1 -30 7  4  o 26.24021 6.403735 40.03811       16.30064 38.66824       24.93643 41.06023       21.53992 24.71119 8.510879 25.69782 7.844929 -0.9866295     11.57489 
1 1 1 -30 7  5  o 29.96883 5.869289 50.68285       16.60087 48.92696       25.90110 51.90706       21.62708 27.43512 8.640616 29.12865 7.530428 -1.693527      11.46157 
1 1 1 -30 7  6  o 34.99429 5.188741 66.87788       17.23562 69.39891       26.69794 65.07636       22.56875 33.13799 8.260303 33.00812 7.189255 0.1298676      10.95071 
1 1 1 -30 7  7  o 31.34153 5.725378 55.06683       16.91726 44.04064       25.96102 63.20449       22.30277 26.02375 8.686680 32.48158 7.203619 -6.457830      11.28497 
1 1 1 -30 7  8  o 19.19036 6.841233 20.36269       16.20208 51.93377       24.91887 -2.758594      21.32502 28.39596 8.386229 15.11259 6.815088 13.28337       10.80621 
1 1 1 -30 7  9  o 48.33957 4.337428 123.2578       20.30508 131.9518       30.04782 115.9510       27.54641 47.91824 6.579838 45.03531 6.431384 2.882935       9.200922 
1 1 1 -30 7  10 o 48.82199 4.362110 125.9679       20.62642 127.4993       29.56438 124.5156       28.79130 47.00983 6.607102 46.56811 6.492638 0.4417229      9.263268 
1 1 1 -30 7  11 o 30.64082 6.314605 54.32166       18.30871 34.95642       25.50758 74.90136       26.29524 23.54327 8.559255 34.65616 7.924474 -11.11290      11.66440 
1 1 1 -30 7  12 o 13.11195 6.288908 -22.90855      23.25059 -22.90855      23.25059 0.000000       0.000000 13.11195 6.288908 ?        ?        ?              ?        
1 1 1 -30 7  13 o 19.16316 8.603503 6.742782       33.56325 -20.41000      44.15016 43.92000       51.66109 18.34930 8.764469 25.34819 11.05646 -6.998890      14.10891 
1 1 1 -30 7  14 o 14.86899 6.748033 -3.436550      21.30607 1.519043       23.23570 -29.61000      53.39965 16.18950 7.221315 19.10699 9.254867 -2.917490      11.73882 
1 1 1 -30 7  15 o 15.36328 6.903642 -0.8793755     21.66418 -0.4564976     23.60447 -3.139000      54.56384 15.96476 7.187303 21.00754 9.950618 -5.042781      12.27486 
1 1 1 -30 7  16 f 20.72868 7.452145 25.56533       19.26772 26.40469       26.11356 24.56232       28.54595 21.30127 8.435622 21.11985 8.656083 0.1814194      12.08667 
1 1 1 -30 7  17 o 13.07915 6.029570 -7.324075      17.91469 7.831589       24.28223 -25.42669      26.53822 17.39114 7.583039 13.79600 6.643179 3.595137       10.08138 
1 1 1 -30 7  18 o 47.78683 5.103153 125.3341       23.50102 96.51000       35.00152 148.9955       31.71233 36.92966 9.596573 50.43405 6.580692 -13.50439      11.63614 
1 1 1 -30 7  19 o 17.76489 7.237182 14.47578       19.80662 -6.184000      28.69448 33.27750       27.37375 16.33565 7.566143 22.68362 8.735716 -6.347973      11.55678 
1 1 1 -30 7  20 o 30.57337 7.441382 58.88570       22.05587 65.98000       33.76617 53.60630       29.12857 29.44179 9.907859 27.30122 9.202398 2.140572       13.52220 
1 1 1 -30 7  21 o 18.03499 7.196711 16.54858       19.14637 -3.185055      26.94044 36.68765       27.21578 16.16739 7.431736 23.23060 8.766838 -7.063213      11.49296 
1 1 1 -30 7  22 o 24.76981 7.534072 39.74442       19.89080 3.909615       27.56220 78.69116       28.73405 17.21684 7.757388 33.94625 8.630105 -16.72941      11.60413 
1 1 1 -30 7  23 f 16.79837 7.419652 6.570408       23.93508 -37.80000      48.22765 21.07069       27.57006 17.22297 8.440940 19.85571 8.352024 -2.632740      11.87459 
1 1 1 -30 7  24 o 31.78286 8.214450 68.14478       25.73904 34.37000       47.91056 81.84763       30.51691 22.84580 10.26620 33.88912 9.035192 -11.04332      13.67588 
1 1 1 -30 7  25 o 23.21258 8.451395 37.70331       24.88145 45.45000       47.30156 34.73988       29.25599 23.82185 10.47973 22.34495 8.902854 1.476902       13.75084 
1 1 1 -30 7  26 o 27.20017 8.609901 53.65700       25.68748 25.47000       47.13071 65.56837       30.63800 21.44093 9.846232 29.04155 9.424443 -7.600624      13.62969 
1 1 1 -30 7  27 o 18.13363 7.392887 17.95058       20.68653 0.4609133      28.11868 38.58424       30.54163 16.44357 7.570992 22.69939 9.078887 -6.255823      11.82143 
1 1 1 -30 7  28 o 23.11271 7.891305 37.20544       21.42569 21.74013       28.68418 56.72449       32.22495 19.54889 8.381306 26.20299 9.605798 -6.654100      12.74824 
1 1 1 -30 7  29 o 54.66293 5.309659 170.9577       28.05216 148.1097       33.61205 223.4000       50.92271 47.82650 7.420225 53.84423 10.03096 -6.017735      12.47718 
1 1 1 -30 7  30 f 16.02451 7.373628 0.7889099E-01  26.61571 13.40000       34.12824 -20.60000      42.52138 18.81976 8.540809 16.89383 8.200630 1.925934       11.84043 
1 1 1 -30 7  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 7  32 o 17.56718 7.421969 15.48091       21.92608 11.61695       29.48079 20.26408       32.80051 17.90714 8.049503 19.42363 8.626918 -1.516491      11.79908 
1 1 1 -30 7  33 o 13.08992 6.203926 -12.06008      21.26961 -12.87200      28.71344 -11.07286      31.66176 14.89065 7.100175 15.65716 7.462910 -0.7665100     10.30085 
1 1 1 -30 7  34 o 15.87444 7.024169 7.002669       21.54455 14.16713       28.83083 -2.057455      32.42145 18.10881 8.062793 16.65306 7.820953 1.455753       11.23281 
1 1 1 -30 7  35 o 22.30649 8.546477 37.59433       26.10805 39.02527       30.94515 34.06000       48.63337 22.25236 9.053264 21.44586 9.903769 0.8065014      13.41813 
1 1 1 -30 7  36 o 22.83299 8.140774 38.77679       22.94278 39.70513       30.81445 37.62202       34.36755 22.19502 9.032564 21.67258 9.229681 0.5224476      12.91411 
1 1 1 -30 7  37 o 13.91517 6.552098 -8.321640      23.01599 -18.42323      31.66745 2.989426       33.50966 14.87132 7.184745 17.15196 8.021723 -2.280639      10.76887 
1 1 1 -30 7  38 o 17.95666 7.879602 16.72461       26.58781 -12.31000      41.89446 36.30507       34.40408 16.84202 8.167156 21.23765 9.143192 -4.395636      12.25971 
1 1 1 -30 7  39 o 23.14944 8.335824 42.21732       24.11943 90.84760       33.56662 -9.694582      34.68069 32.30239 9.779316 15.90038 7.640499 16.40202       12.41017 
1 1 1 -30 7  40 o 15.21418 6.991829 2.790407       23.82494 -0.7080364     32.76571 6.715218       34.70496 16.23308 7.695514 17.17831 8.075191 -0.9452343     11.15480 
1 1 1 -30 7  41 o 14.07039 6.641893 -5.554211      23.92253 -5.470403      33.27196 -5.643905      34.42040 15.70411 7.529792 15.84676 7.613970 -0.1426563     10.70842 
1 1 1 -30 8  1  o 46.83592 4.582170 116.5902       20.73818 118.7653       28.95702 114.3000       29.71405 45.33182 6.729929 44.06266 7.133095 1.269157       9.806783 
1 1 1 -30 8  2  o 49.97414 4.576760 132.6083       22.13939 126.9309       30.20475 139.2000       32.54581 46.81829 6.788850 48.80814 7.013510 -1.989841      9.761036 
1 1 1 -30 8  3  o 52.39957 3.888639 142.6191       19.80273 125.6201       30.22536 155.4036       26.21205 46.51146 6.843423 53.67797 5.048088 -7.166504      8.503860 
1 1 1 -30 8  4  o 56.64967 3.777460 166.0851       20.82644 125.8312       31.26266 198.2031       27.92517 46.23367 7.137696 61.00638 4.712947 -14.77271      8.553279 
1 1 1 -30 8  5  o 34.41358 5.372835 65.24502       17.50723 57.79041       26.91045 70.71553       23.05273 29.69607 8.700192 34.52990 7.059061 -4.833828      11.20374 
1 1 1 -30 8  6  o 23.75594 6.772821 33.52334       16.51496 37.58174       25.53791 30.60615       21.65164 24.31993 8.597033 22.49549 7.919077 1.824438       11.68849 
1 1 1 -30 8  7  o 19.86755 6.820436 22.49863       16.01035 14.61462       24.64590 28.25476       21.05894 18.99192 7.936483 21.80755 7.796698 -2.815626      11.12548 
1 1 1 -30 8  8  o 23.35241 7.012259 32.78843       17.30949 39.71836       26.19099 27.41417       23.06462 24.77433 8.710689 21.62558 8.089734 3.148748       11.88780 
1 1 1 -30 8  9  o 45.35231 4.572106 109.6422       20.01977 121.2771       29.01657 99.07217       27.65681 45.74188 6.677586 40.80082 7.187585 4.941063       9.810787 
1 1 1 -30 8  10 o 23.61843 7.507858 34.37984       19.51464 19.98890       25.44610 54.93000       30.40774 20.09793 8.197243 28.13496 9.401436 -8.037025      12.47324 
1 1 1 -30 8  11 o 32.12583 11.74292 87.68000       48.10553 87.68000       48.10553 0.000000       0.000000 32.12583 11.74292 ?        ?        ?              ?        
1 1 1 -30 8  12 f 19.65953 7.835756 19.98612       22.67116 24.74896       25.53990 2.286000       49.23503 21.02043 8.336690 20.92398 9.765317 0.9644699E-01  12.83985 
1 1 1 -30 8  13 o 19.51873 7.740407 19.91196       22.01515 18.01319       24.27727 28.70000       52.22873 19.40316 7.970908 23.57117 10.64419 -4.168011      13.29790 
1 1 1 -30 8  14 o 27.98808 8.052782 50.66265       23.24394 36.91146       25.58693 115.6000       55.60264 23.80447 8.583858 35.06614 12.65262 -11.26168      15.28959 
1 1 1 -30 8  15 o 32.89453 6.377298 63.24959       19.79232 60.09816       26.54940 67.19207       29.69515 29.94704 8.603205 31.11682 9.145482 -1.169779      12.55607 
1 1 1 -30 8  16 o 21.09796 7.352133 26.99217       18.63245 15.29440       25.01022 41.58242       27.93169 18.86208 7.945648 24.69578 8.959856 -5.833702      11.97549 
1 1 1 -30 8  17 o 29.93755 7.263267 55.50521       21.06431 54.31000       31.15973 56.51109       28.58534 27.37481 9.509609 28.36514 9.094348 -0.9903316     13.15826 
1 1 1 -30 8  18 o 19.93940 7.733809 22.55200       21.56739 46.24000       34.89175 7.905194       27.43658 25.21602 9.821029 17.97118 7.940484 7.244843       12.62949 
1 1 1 -30 8  19 o 26.94026 7.857186 47.31504       21.99152 20.87000       34.20245 65.95377       28.71397 20.80301 9.036021 30.70640 8.984469 -9.903395      12.74246 
1 1 1 -30 8  20 o 41.55307 5.425326 97.04891       21.54011 82.15446       30.40667 112.0529       30.51827 34.38810 8.948715 42.17079 7.676063 -7.782688      11.78989 
1 1 1 -30 8  21 o 28.08910 7.228401 49.76590       19.98927 24.31414       27.80616 76.98610       28.75595 20.61299 8.505674 33.49027 8.696108 -12.87728      12.16424 
1 1 1 -30 8  22 o 22.14168 7.582575 31.61948       19.78522 -1.949067      27.51585 67.55535       28.46956 16.36740 7.518908 30.79876 8.927515 -14.43135      11.67195 
1 1 1 -30 8  23 o 22.73467 8.326209 35.03385       24.20224 27.28447       29.05179 52.61000       43.75233 21.06298 8.693000 25.12843 10.54263 -4.065449      13.66438 
1 1 1 -30 8  24 o 26.19927 8.520823 48.58179       25.03686 -1.442000      46.36432 69.17347       29.74688 19.30481 9.152437 30.61677 9.192324 -11.31196      12.97174 
1 1 1 -30 8  25 o 25.40903 8.513351 46.36371       24.93212 51.37000       45.45833 44.20988       29.81683 24.45627 10.51917 24.20278 9.166648 0.2534981      13.95279 
1 1 1 -30 8  26 o 31.57161 8.365642 69.97540       26.26314 24.61000       47.15171 90.37988       31.62262 21.19619 9.775340 35.00045 9.134724 -13.80426      13.37911 
1 1 1 -30 8  27 o 21.10315 7.853906 29.94725       21.68431 26.62928       30.80475 33.20621       30.52960 20.52838 8.740152 21.66250 8.922957 -1.134113      12.49037 
1 1 1 -30 8  28 o 30.93483 7.336980 62.83811       21.87800 65.52157       29.81847 59.70914       32.19877 28.79859 9.293618 26.75796 9.631794 2.040636       13.38442 
1 1 1 -30 8  29 o 46.98363 5.308381 126.4829       23.98563 116.2388       31.95136 139.7097       36.30597 41.17942 8.215035 44.58125 8.631881 -3.401821      11.91621 
1 1 1 -30 8  30 o 13.45843 6.397952 -13.85717      22.95982 -26.73159      27.20400 18.02000       42.80642 13.39261 6.514411 20.04597 9.269402 -6.653354      11.32958 
1 1 1 -30 8  31 f 16.45907 7.543626 3.079526       27.48101 20.81000       36.27918 -20.79000      42.09391 19.72473 8.892533 16.67407 8.108946 3.050661       12.03462 
1 1 1 -30 8  32 o 15.83507 7.239892 1.815618       25.10764 1.432513       29.01698 2.957000       50.08514 16.51466 7.634819 19.17322 9.205032 -2.658562      11.95923 
1 1 1 -30 8  33 o 31.20952 7.661266 66.38344       23.22821 71.18494       31.35765 60.54538       34.57713 29.33470 9.535603 26.04382 9.869615 3.290878       13.72359 
1 1 1 -30 8  34 o 18.85993 8.005073 20.83091       25.70414 24.39652       30.83496 12.71000       46.53488 19.76653 8.582789 19.50989 9.225810 0.2566414      12.60079 
1 1 1 -30 8  35 o 16.61575 7.444667 8.053748       24.99101 10.29288       29.56681 2.452000       46.76560 17.59727 7.971511 18.68768 8.951488 -1.090408      11.98641 
1 1 1 -30 8  36 o 32.20755 7.639758 71.22986       23.71868 90.88279       32.70414 49.42202       34.45050 33.40269 9.533394 23.58662 9.568428 9.816071       13.50705 
1 1 1 -30 8  37 o 18.59779 7.979379 20.18961       26.03444 6.737000       40.04421 30.03904       34.26430 18.24355 8.606175 20.48489 8.968245 -2.241346      12.42963 
1 1 1 -30 8  38 o 19.24501 7.855271 25.13562       23.38863 65.49393       32.07349 -20.69788      34.17994 26.94367 9.623242 15.02286 7.306177 11.92081       12.08251 
1 1 1 -30 8  39 o 16.46029 7.279967 11.26177       23.11586 -1.108082      31.18367 26.34983       34.43987 16.07695 7.587294 19.50991 8.740569 -3.432966      11.57431 
1 1 1 -30 8  40 o 15.04609 6.938913 2.077817       23.75712 -0.5812991     32.64746 5.070717       34.63594 16.15006 7.663573 16.92212 7.989222 -0.7720566     11.07059 
1 1 1 -30 8  41 o 24.13010 9.151358 54.07573       29.74113 -5.496000      52.64021 82.00813       36.04555 17.61047 8.668259 28.14710 10.18308 -10.53663      13.37288 
1 1 1 -30 9  1  o 36.42359 5.166499 72.43249       17.90358 60.22889       27.80306 81.07769       23.40111 30.16940 8.844527 37.39052 6.637025 -7.221123      11.05784 
1 1 1 -30 9  2  o 29.49247 6.072711 49.70794       16.94647 61.53740       27.00512 42.02355       21.76549 30.71501 8.628156 25.88131 7.882927 4.833702       11.68698 
1 1 1 -30 9  3  o 37.67383 5.015127 77.00837       18.03492 68.16264       28.21252 83.12102       23.45251 32.28348 8.722974 37.93117 6.553578 -5.647690      10.91053 
1 1 1 -30 9  4  o 31.42537 5.857162 55.77993       17.35397 48.11447       27.16393 61.06601       22.55749 26.92035 8.882409 31.68835 7.406251 -4.768000      11.56502 
1 1 1 -30 9  5  o 19.01280 6.856469 19.89502       16.32538 -7.442842      25.47927 38.93475       21.26353 15.63103 7.200507 24.93868 7.825430 -9.307655      10.63413 
1 1 1 -30 9  6  o 14.80362 6.306201 4.729253       16.05195 -7.802515      24.76150 13.81308       21.08168 15.36880 7.086422 18.12046 7.434115 -2.751665      10.27051 
1 1 1 -30 9  7  o 18.50281 6.920776 18.09838       16.87959 7.287040       24.86296 27.34193       22.98965 17.63910 7.682440 21.56628 8.074732 -3.927183      11.14546 
1 1 1 -30 9  8  o 15.44270 6.511966 6.567457       16.82685 21.66586       24.32284 -7.291831      23.30340 20.31179 8.109376 14.98492 6.896828 5.326864       10.64557 
1 1 1 -30 9  9  o 13.84934 6.281738 -4.191857      18.43154 -10.31920      23.95623 4.697000       28.85396 14.76262 6.863531 18.03213 8.044917 -3.269509      10.57491 
1 1 1 -30 9  10 o 23.13305 9.424829 32.74128       33.59376 46.38000       47.66505 19.28000       47.35397 25.58784 10.88236 22.36208 10.11320 3.225763       14.85606 
1 1 1 -30 9  11 o 24.25556 8.147831 37.83388       22.83585 30.87437       25.74105 63.55000       49.48117 22.37312 8.507021 27.80197 11.39580 -5.428850      14.22089 
1 1 1 -30 9  12 o 38.77571 6.820114 88.95488       24.94093 94.56461       28.33389 69.65000       52.56161 39.12754 7.672369 28.41460 11.70649 10.71294       13.99668 
1 1 1 -30 9  13 o 24.07475 8.241249 37.54971       23.37131 28.08055       26.06962 76.32000       52.75073 21.69140 8.477363 29.25677 11.85053 -7.565371      14.57055 
1 1 1 -30 9  14 o 44.80776 4.803466 108.7404       20.73912 77.32552       28.43778 144.4299       30.31083 34.26674 8.515721 50.02967 6.331161 -15.76293      10.61137 
1 1 1 -30 9  15 o 54.41729 4.222518 156.8329       22.31543 134.2570       31.22133 180.4118       31.90742 47.48072 6.921320 56.48997 5.855320 -9.009254      9.065840 
1 1 1 -30 9  16 o 42.49190 5.491842 100.9458       22.30812 59.49000       33.21834 135.0006       30.10747 28.26600 9.818746 47.97816 6.584480 -19.71216      11.82215 
1 1 1 -30 9  17 o 16.98266 7.212412 9.856855       20.88618 0.3089000      32.44240 16.61539       27.29506 17.89903 8.200891 19.37490 8.237344 -1.475870      11.62362 
1 1 1 -30 9  18 o 19.89698 7.671167 22.74899       21.12555 -22.13000      32.58427 55.29282       27.74731 15.59445 7.470395 28.03021 8.957273 -12.43576      11.66360 
1 1 1 -30 9  19 o 29.80676 7.131963 55.27959       20.52914 60.34645       29.09588 50.25657       28.96971 28.92564 9.164227 26.36078 9.168635 2.564854       12.96329 
1 1 1 -30 9  20 o 16.89050 7.047787 11.57820       19.39243 29.14947       28.08918 -4.424201      26.80589 21.56514 8.678640 15.95476 7.362530 5.610378       11.38093 
1 1 1 -30 9  21 o 13.71817 6.308151 -5.602379      19.43425 14.83826       27.09313 -27.26724      27.89266 18.76331 8.096125 13.83368 6.697793 4.929629       10.50751 
1 1 1 -30 9  22 o 17.14441 7.122557 12.95285       19.68144 -13.55540      27.29201 41.67552       28.40910 14.92204 7.059005 24.04008 8.981194 -9.118046      11.42328 
1 1 1 -30 9  23 o 12.00679 5.749197 -17.85475      19.25201 -8.233419      26.72519 -28.23336      27.75703 15.35471 7.175491 13.65520 6.627864 1.699508       9.768125 
1 1 1 -30 9  24 o 22.80737 8.414351 36.26610       24.79114 8.861000       46.61733 47.07289       29.27386 20.02194 9.395204 24.95253 9.154085 -4.930593      13.11744 
1 1 1 -30 9  25 o 33.53386 8.174688 76.87517       26.58544 5.712000       47.89591 108.5637       31.96111 19.70273 9.329687 39.72313 8.478269 -20.02040      12.60651 
1 1 1 -30 9  26 o 29.04080 8.676379 61.94796       26.55058 5.402000       48.10764 86.71547       31.83863 19.52218 9.274993 33.79108 9.322904 -14.26891      13.15074 
1 1 1 -30 9  27 o 53.21865 5.744250 165.5690       29.44936 76.41000       51.63960 208.5418       35.85064 26.51419 11.30334 58.76740 6.332211 -32.25320      12.95617 
1 1 1 -30 9  28 o 25.86780 7.794789 46.58369       21.36097 35.63224       29.03871 59.49745       31.53319 21.95546 8.828160 26.77069 9.544002 -4.815228      13.00094 
1 1 1 -30 9  29 o 14.89483 6.681941 2.310210       20.20123 -3.853026      26.98277 10.17054       30.47212 15.60073 7.263653 17.95127 8.116087 -2.350547      10.89181 
1 1 1 -30 9  30 o 15.27574 7.025377 -1.032037      24.11659 -9.036360      29.36596 15.55000       42.26694 15.47278 7.320361 19.64769 9.128591 -4.174911      11.70123 
1 1 1 -30 9  31 o 19.24056 8.030968 22.59938       25.19238 18.82738       30.37617 30.91000       45.08831 18.99395 8.375301 21.21679 9.701036 -2.222837      12.81623 
1 1 1 -30 9  32 o 20.83627 8.688788 30.86045       29.44744 36.54000       38.77400 23.12000       45.26545 21.69585 9.518118 20.37462 9.459662 1.321232       13.41938 
1 1 1 -30 9  33 o 19.65840 8.205044 24.87104       26.29476 53.77235       31.37809 -43.29000      48.18766 25.20657 9.434402 16.18349 8.025325 9.023077       12.38603 
1 1 1 -30 9  34 o 24.66967 8.619302 47.00696       25.61815 61.26066       30.82097 15.15000       46.07705 26.97533 9.452033 19.65082 9.258283 7.324511       13.23090 
1 1 1 -30 9  35 o 24.86586 8.242894 46.39513       23.38499 35.63279       32.02723 58.68505       34.22477 21.41453 9.004442 25.41980 9.773500 -4.005274      13.28914 
1 1 1 -30 9  36 o 20.47918 8.331171 30.25738       26.20309 26.00000       41.32773 33.11932       33.88445 20.15807 9.243419 20.90094 9.036431 -0.7428741     12.92663 
1 1 1 -30 9  37 o 18.04359 7.617810 18.77127       23.07159 13.86286       31.23787 24.66237       34.22230 18.04651 8.182452 19.65606 8.765941 -1.609550      11.99142 
1 1 1 -30 9  38 o 14.19525 6.635156 -4.543035      22.87298 -16.01026      31.14508 8.883034       33.70037 14.78543 7.138820 17.52528 8.145454 -2.739849      10.83103 
1 1 1 -30 9  39 o 15.52963 7.059543 5.376022       23.43805 2.965819       31.59139 8.327000       34.95625 16.46796 7.729645 17.39544 8.154099 -0.9274750     11.23551 
1 1 1 -30 9  40 o 12.52130 6.191680 -33.98433      27.94255 -18.46000      50.51527 -40.82857      33.54120 16.78031 8.302671 13.29080 6.608562 3.489505       10.61167 
1 1 1 -30 9  41 o 35.79713 9.750044 114.1598       35.08066 92.26000       46.42764 143.3000       53.55540 26.11251 10.90108 31.14109 12.15630 -5.028582      16.32817 
1 1 1 -30 10 1  o 38.99479 4.912196 82.31235       18.33430 70.60594       28.80500 90.28484       23.77131 32.68358 8.806779 39.68444 6.332337 -7.000858      10.84702 
1 1 1 -30 10 2  o 35.06574 5.350635 67.88199       17.78441 82.27764       28.55316 58.75743       22.73234 36.00095 8.276143 30.84731 7.583072 5.153646       11.22486 
1 1 1 -30 10 3  o 63.56239 4.183422 211.9973       25.88314 194.8525       34.66453 233.6000       38.91097 58.75806 6.116573 64.14398 6.277691 -5.385918      8.764809 
1 1 1 -30 10 4  o 50.68583 4.125247 134.8360       20.28965 100.2124       31.29875 159.9327       26.64709 39.82447 8.298746 54.32009 5.070245 -14.49562      9.725048 
1 1 1 -30 10 5  o 35.04636 5.454846 68.17336       18.10384 94.70485       28.77494 50.79066       23.29122 39.22500 7.769417 28.19519 8.044704 11.02981       11.18397 
1 1 1 -30 10 6  o 33.04304 5.937661 62.05254       18.49857 48.82962       27.42414 73.09180       25.05760 26.90590 8.926674 34.42229 7.636744 -7.516392      11.74757 
1 1 1 -30 10 7  o 27.53235 7.084754 46.09244       19.20338 83.18520       28.65565 15.85507       25.87247 36.08432 8.287907 19.28801 8.100645 16.79631       11.58921 
1 1 1 -30 10 8  o 19.28015 8.202332 14.86039       27.09366 14.86039       27.09366 0.000000       0.000000 19.28015 8.202332 ?        ?        ?              ?        
1 1 1 -30 10 9  o 30.04483 7.941761 57.59399       23.70574 59.53995       27.72234 52.30000       45.72504 29.62840 8.869031 26.30086 10.88517 3.327541       14.04089 
1 1 1 -30 10 10 o 30.34911 7.848031 58.50054       23.48562 55.88491       26.57471 67.83000       50.18894 28.81332 8.696761 28.29962 11.52359 0.5136929      14.43699 
1 1 1 -30 10 11 o 22.83749 8.133501 32.94238       22.89579 36.28508       25.81963 20.64000       49.53317 23.62741 8.608226 22.51617 10.24615 1.111233       13.38227 
1 1 1 -30 10 12 o 20.82703 7.326046 25.95139       18.52764 34.65046       25.06132 15.46613       27.51421 23.19515 8.476222 19.33587 8.247175 3.859278       11.82634 
1 1 1 -30 10 13 o 14.81899 6.457736 3.158169       17.58821 10.44378       24.38391 -4.743421      25.39379 17.87169 7.695782 15.76513 7.235193 2.106560       10.56282 
1 1 1 -30 10 14 o 30.71062 6.590782 56.15197       19.21913 47.76315       27.22633 64.48389       27.13382 26.29044 8.896780 30.92451 8.634900 -4.634073      12.39815 
1 1 1 -30 10 15 o 40.45036 5.924948 93.41761       22.76380 71.59000       36.65334 107.1231       29.04413 30.34888 10.32218 41.83280 7.361800 -11.48393      12.67847 
1 1 1 -30 10 16 o 33.84369 6.957250 69.41494       22.27679 64.86000       36.31879 72.16216       28.20571 28.84377 10.24688 32.66766 8.675730 -3.823887      13.42635 
1 1 1 -30 10 17 o 24.41418 7.854552 38.84724       21.30982 34.31000       34.23137 41.71815       27.22946 22.92028 9.445502 24.57677 8.856034 -1.656488      12.94785 
1 1 1 -30 10 18 o 25.33221 7.547243 41.39823       20.11147 40.69240       29.25945 42.03035       27.68929 24.07743 9.089236 24.49091 8.915711 -0.4134846     12.73201 
1 1 1 -30 10 19 o 19.73875 7.452603 23.04407       19.67288 27.30493       27.86242 18.80806       27.78106 21.17529 8.599584 19.58706 8.318290 1.588223       11.96440 
1 1 1 -30 10 20 o 65.38869 4.071799 226.7235       25.93192 182.8073       35.79586 275.2257       37.61853 55.14510 6.773752 69.83316 5.549033 -14.68806      8.756454 
1 1 1 -30 10 21 o 13.45346 6.221663 -6.800946      19.29277 -7.386582      26.28662 -6.117139      28.40450 15.36060 7.157709 16.00496 7.452097 -0.6443634     10.33279 
1 1 1 -30 10 22 o 12.48786 5.917102 -14.02859      19.32521 -12.75430      26.30657 -15.52245      28.48292 14.74419 6.961483 15.00499 7.131127 -0.2608004     9.965702 
1 1 1 -30 10 23 o 21.88308 7.718450 31.63800       20.57590 47.06905       28.81582 15.58575       29.39012 25.03883 9.098208 18.94727 8.300210 6.091560       12.31547 
1 1 1 -30 10 24 o 15.65865 7.147904 -0.1902452     24.34773 -21.02000      45.22528 8.310966       28.89213 17.48912 8.482050 17.71048 7.964280 -0.2213573     11.63507 
1 1 1 -30 10 25 o 23.47056 8.571297 40.44608       25.62051 57.67000       48.61353 33.82226       30.14708 24.62753 10.73403 21.77729 8.907073 2.850241       13.94831 
1 1 1 -30 10 26 o 29.60671 8.684464 64.38067       26.79936 91.36000       50.02600 53.52169       31.73764 28.95102 11.60577 25.58985 9.505892 3.361172       15.00186 
1 1 1 -30 10 27 o 20.08446 8.210891 26.18859       25.60394 54.64000       48.11475 14.94905       30.24132 23.98566 10.55996 18.54236 8.256632 5.443302       13.40465 
1 1 1 -30 10 28 o 20.07832 7.711019 26.49417       21.28739 7.132307       29.34733 47.99283       30.92436 17.36063 7.894870 24.32648 9.306175 -6.965858      12.20385 
1 1 1 -30 10 29 o 19.98281 7.723752 26.07644       21.45547 4.946735       29.23713 50.73418       31.58381 17.07353 7.808581 24.83239 9.427603 -7.758852      12.24147 
1 1 1 -30 10 30 o 21.08872 8.274887 31.54678       24.92251 -0.2047336     29.92668 103.4000       45.01937 16.46667 7.661032 31.66682 11.39028 -15.20016      13.72697 
1 1 1 -30 10 31 o 23.83264 8.605211 43.42451       25.72459 24.84314       30.56543 88.55000       47.63242 19.88867 8.590578 28.30744 11.33257 -8.418764      14.22059 
1 1 1 -30 10 32 o 18.03811 8.105892 13.02946       29.86970 13.02946       29.86970 0.000000       0.000000 18.03811 8.105892 ?        ?        ?              ?        
1 1 1 -30 10 33 o 22.88761 9.152115 42.60453       31.02923 39.60000       39.58926 47.39000       49.96333 22.00204 9.636009 22.66756 10.30547 -0.6655197     14.10870 
1 1 1 -30 10 34 o 13.41409 6.475863 -20.07580      25.60883 -36.77814      30.57753 19.16000       46.86568 13.33555 6.572242 19.96963 9.386268 -6.634084      11.45846 
1 1 1 -30 10 35 o 17.08377 7.633778 10.88041       26.08759 46.74000       42.60341 -10.63121      32.99730 22.52910 9.927034 15.75784 7.540324 6.771255       12.46605 
1 1 1 -30 10 36 o 15.47318 7.031128 3.311006       23.22151 33.90882       32.33103 -29.29305      33.37415 21.02898 8.953698 14.36942 7.038132 6.659560       11.38877 
1 1 1 -30 10 37 o 34.61507 7.503028 81.95552       24.68704 81.57211       33.61997 82.40416       36.36712 30.15331 9.878316 29.26652 10.26637 0.8867874      14.24709 
1 1 1 -30 10 38 o 34.31303 7.647885 82.33887       25.03011 67.96642       34.27559 98.76102       36.63825 26.51048 9.872738 32.48639 10.28258 -5.975904      14.25491 
1 1 1 -30 10 39 o 17.56139 7.899708 15.85001       28.45055 20.19000       51.33597 13.92611       34.17971 19.21103 9.247851 17.79029 8.246078 1.420744       12.39034 
1 1 1 -30 10 40 o 11.46383 5.657084 -30.44814      22.90566 -9.509301      31.49078 -53.97268      33.37857 15.06141 7.248453 12.54839 6.292464 2.513027       9.598706 
1 1 1 -30 11 1  o 29.28683 6.318389 49.99522       17.58024 58.40664       28.53440 44.84884       22.31952 29.22956 9.048697 26.47572 7.965492 2.753838       12.05521 
1 1 1 -30 11 2  o 26.43142 6.715024 41.77998       17.40477 24.64348       28.21575 52.30527       22.11299 21.24880 8.644857 28.86155 7.689488 -7.612753      11.56987 
1 1 1 -30 11 3  f 34.99573 5.440777 68.10209       18.03200 72.12617       29.60947 65.72987       22.73396 32.70256 8.978049 32.88705 7.257068 -0.1844864     11.54428 
1 1 1 -30 11 4  o 57.39932 3.874625 171.7167       21.64165 124.0550       32.99250 207.7130       28.67209 44.87879 7.793047 62.22910 4.742897 -17.35031      9.122865 
1 1 1 -30 11 5  o 21.50422 7.315157 27.88203       18.40859 33.34366       28.29643 23.87430       24.23927 23.01290 8.876667 20.69175 8.148081 2.321148       12.04933 
1 1 1 -30 11 6  o 28.57646 7.512308 50.98309       21.28623 85.72367       28.94236 10.05000       31.41613 36.55937 8.280594 19.17866 8.484357 17.38071       11.85549 
1 1 1 -30 11 7  o 34.64182 9.657052 84.99867       33.96783 1.440000       49.42378 159.8000       46.76219 20.75884 9.719442 47.16700 10.40803 -26.40815      14.24060 
1 1 1 -30 11 8  o 22.52192 8.107280 31.75802       22.81286 23.77381       26.90157 52.20000       43.04504 20.85466 8.457107 26.27307 10.68181 -5.418406      13.62438 
1 1 1 -30 11 9  o 25.22866 8.269177 41.69568       23.55766 11.57966       27.32837 128.8000       46.47665 18.66997 8.093494 40.47841 11.30050 -21.80844      13.89986 
1 1 1 -30 11 10 o 25.63192 8.157859 42.95562       23.03408 50.37880       26.39264 19.23000       47.18418 27.22638 8.739514 22.10241 10.03525 5.123968       13.30734 
1 1 1 -30 11 11 o 23.36206 7.370798 34.06287       18.83986 65.96494       26.15983 -0.3131712     27.15523 31.69555 8.325974 16.79736 7.621213 14.89819       11.28737 
1 1 1 -30 11 12 o 32.97394 6.264606 63.46124       19.48046 74.07613       27.47285 52.72702       27.62686 33.54012 8.390075 27.52246 8.950675 6.017666       12.26817 
1 1 1 -30 11 13 o 24.83477 7.281028 38.60592       18.84162 11.06036       26.38410 67.27332       26.91601 18.31101 7.945083 31.76423 8.492950 -13.45322      11.62990 
1 1 1 -30 11 14 o 47.53723 5.200464 124.7365       23.80378 96.30000       38.49713 142.3381       30.28772 35.52459 10.40547 49.43045 6.410734 -13.90586      12.22175 
1 1 1 -30 11 15 o 17.51392 7.259537 13.01797       20.38047 1.652000       32.67185 20.25783       26.07567 18.05662 8.256805 19.84749 8.217725 -1.790869      11.64929 
1 1 1 -30 11 16 o 21.90786 7.779646 30.36262       20.93280 12.90000       33.83337 41.19298       26.64478 19.60452 8.731189 24.46346 8.767213 -4.858936      12.37327 
1 1 1 -30 11 17 o 32.34800 6.726748 63.34528       20.60382 45.65063       30.36461 78.44438       28.04931 25.06557 9.300472 34.19549 8.433601 -9.129923      12.55486 
1 1 1 -30 11 18 f 16.41111 6.959245 9.418327       19.39622 18.65113       28.16443 1.089005       26.75093 19.59008 8.349467 16.64612 7.557206 2.943958       11.26166 
1 1 1 -30 11 19 o 13.26168 6.152853 -7.934172      19.09818 -3.449875      27.16191 -12.31882      26.85844 16.10835 7.425461 14.99785 7.066835 1.110500       10.25074 
1 1 1 -30 11 20 o 20.20488 7.542233 25.19244       20.02682 -0.1214889     27.36717 54.37633       29.38473 16.50689 7.551434 26.93731 9.240261 -10.43042      11.93342 
1 1 1 -30 11 21 o 11.24554 5.468142 -24.55878      19.12237 -8.622853      25.97650 -43.41013      28.25291 15.11844 7.068084 12.65038 6.250081 2.468055       9.435111 
1 1 1 -30 11 22 o 13.58934 6.267417 -5.697674      19.38516 -8.707937      26.12108 -2.007257      28.92188 15.08321 7.063313 16.49868 7.625618 -1.415476      10.39425 
1 1 1 -30 11 23 o 14.41282 6.527885 -0.8465042     19.81763 -19.95547      27.37106 20.20864       28.73109 14.16506 6.801717 19.50230 8.375202 -5.337239      10.78922 
1 1 1 -30 11 24 o 13.86522 6.373470 -3.931878      19.81397 -8.837161      27.35985 1.478113       28.73293 15.19730 7.152046 16.67749 7.669426 -1.480188      10.48675 
1 1 1 -30 11 25 o 28.30326 8.633203 59.01645       26.09319 28.71000       48.34845 71.47136       30.99455 21.46009 9.897610 30.05905 9.450065 -8.598959      13.68453 
1 1 1 -30 11 26 o 27.77368 8.783006 58.35068       26.73651 -1.140000      49.65471 82.64107       31.72877 19.01402 9.138144 32.49942 9.425926 -13.48540      13.12836 
1 1 1 -30 11 27 f 24.54544 8.714399 45.98629       26.26406 32.32000       49.17686 51.43997       31.06563 21.59846 9.968793 25.01652 9.382339 -3.418066      13.68960 
1 1 1 -30 11 28 o 37.54081 7.777106 94.33194       27.63721 105.2000       51.72475 89.98949       32.69567 30.32910 11.91495 33.97702 9.475507 -3.647928      15.22338 
1 1 1 -30 11 29 o 26.90069 7.945464 51.27535       22.36736 40.78393       30.76355 63.04148       32.57888 22.71932 9.103337 27.12720 9.697639 -4.407885      13.30094 
1 1 1 -30 11 30 f 16.24654 7.156168 8.433852       22.12085 18.11207       30.25066 -2.689197      32.43016 18.84852 8.332503 16.61161 7.807938 2.236910       11.41904 
1 1 1 -30 11 31 o 27.15194 9.620440 63.29328       31.99536 63.29328       31.99536 0.000000       0.000000 27.15194 9.620440 ?        ?        ?              ?        
1 1 1 -30 11 32 o 20.78015 8.778395 30.86860       30.66691 30.86860       30.66691 0.000000       0.000000 20.78015 8.778395 ?        ?        ?              ?        
1 1 1 -30 11 33 o 18.28393 7.826927 18.27733       24.94441 27.22381       30.00877 -1.725000      44.87066 20.12004 8.598149 18.18542 8.726048 1.934616       12.25039 
1 1 1 -30 11 34 o 19.09367 8.039800 23.06137       25.58917 -54.66000      40.43968 74.96262       33.04657 14.26461 7.118879 29.24603 9.801343 -14.98142      12.11383 
1 1 1 -30 11 35 o 16.67696 7.344587 11.02834       23.29239 25.68250       32.23152 -4.989854      33.69823 19.73786 8.667994 16.34425 7.764438 3.393614       11.63704 
1 1 1 -30 11 36 o 14.66624 6.779425 -1.618188      22.86857 -8.853701      30.33661 7.905110       34.80375 15.38507 7.325308 17.71155 8.247456 -2.326481      11.03090 
1 1 1 -30 11 37 o 21.59728 8.544905 37.34789       26.77149 11.26569       31.42961 106.3000       51.10233 17.52616 8.045561 28.52558 11.62334 -10.99942      14.13623 
1 1 1 -30 11 38 o 15.47843 7.271341 -1.275370      28.05895 -4.532000      50.53306 0.1762413      33.73778 17.77537 8.696697 16.45936 7.804556 1.316011       11.68519 
1 1 1 -30 11 39 o 14.51405 6.758235 -0.8591818     23.36567 -18.62090      32.70850 17.65054       33.39013 14.56392 7.097367 18.00220 8.274602 -3.438277      10.90145 
1 1 1 -30 11 40 o 13.32223 6.479566 -19.00368      26.89650 -22.96585      32.40551 -10.23000      48.22176 14.10019 6.912261 16.83468 8.288365 -2.734493      10.79242 
1 1 1 -30 12 1  o 71.30710 3.537404 262.4056       24.61307 194.6049       36.58695 318.4561       33.26585 57.86876 6.575623 77.48862 4.403990 -19.61986      7.914161 
1 1 1 -30 12 2  o 30.51051 6.125554 53.86102       17.65747 26.33382       27.59319 72.95054       22.97833 21.42682 8.609091 34.87781 6.974618 -13.45099      11.07979 
1 1 1 -30 12 3  o 21.72262 7.104027 28.59570       17.39104 15.12605       27.69987 37.35983       22.34365 19.33663 8.261992 24.10873 8.059019 -4.772100      11.54159 
1 1 1 -30 12 4  o 44.29035 4.814469 106.1678       20.53654 128.2637       31.57754 89.97195       27.03484 46.18772 7.220953 38.31197 7.477627 7.875751       10.39505 
1 1 1 -30 12 5  o 43.70839 8.105042 120.4442       33.39928 120.4442       33.39928 0.000000       0.000000 43.70839 8.105042 ?        ?        ?              ?        
1 1 1 -30 12 6  o 42.41858 6.376654 104.2316       25.65768 100.7355       32.11580 110.4000       42.65979 39.28299 8.592067 37.75162 10.92386 1.531368       13.89800 
1 1 1 -30 12 7  o 28.57850 8.097686 53.15413       23.68085 48.76924       28.22072 63.59000       43.53647 26.52170 9.056575 28.00528 10.95220 -1.483583      14.21169 
1 1 1 -30 12 8  o 17.33985 7.423264 9.635743       22.44044 19.76169       26.56679 -15.58000      41.92347 19.95548 8.281473 18.16282 8.637506 1.792664       11.96617 
1 1 1 -30 12 9  o 19.07534 7.752514 18.07805       22.66346 17.60727       26.52817 19.35000       43.60432 19.51192 8.199161 21.69626 9.768034 -2.184338      12.75307 
1 1 1 -30 12 10 o 21.79008 7.377689 29.33415       18.72264 19.07431       26.69252 39.27039       26.26819 19.76881 8.260162 24.17436 8.699938 -4.405548      11.99663 
1 1 1 -30 12 11 o 32.87311 6.496320 63.85675       20.16184 31.31788       28.90717 94.68008       28.13481 22.34619 8.867078 38.97764 7.647597 -16.63145      11.70943 
1 1 1 -30 12 12 o 26.78999 7.665781 46.03367       21.11908 85.55000       33.48972 19.94380       27.21192 34.54814 9.573091 19.96006 8.340113 14.58808       12.69652 
1 1 1 -30 12 13 o 19.81259 7.615191 22.42463       20.77331 2.366000       34.29621 34.04799       26.10726 18.43885 8.442121 22.83357 8.593103 -4.394716      12.04620 
1 1 1 -30 12 14 o 29.80030 7.514788 56.32683       21.91255 13.18000       36.19115 81.29836       27.53281 19.96146 8.950137 35.36317 8.125072 -15.40170      12.08808 
1 1 1 -30 12 15 o 24.49334 7.554991 38.63898       19.91258 61.50349       30.71405 22.06010       26.15374 28.88875 9.440413 20.11302 8.269018 8.775734       12.54982 
1 1 1 -30 12 16 o 49.63260 4.772934 134.4714       22.90221 147.0737       33.90033 123.8906       31.06263 48.77709 7.326596 44.69629 7.355692 4.080803       10.38197 
1 1 1 -30 12 17 o 28.40254 7.325650 51.31642       20.49910 54.05415       29.87073 48.87931       28.18303 26.98454 9.314046 25.97215 9.042694 1.012392       12.98159 
1 1 1 -30 12 18 f 12.87376 6.045289 -11.32674      19.36031 -21.30719      27.67327 -1.758967      27.09511 14.28705 6.854758 16.28661 7.474192 -1.999564      10.14156 
1 1 1 -30 12 19 f 45.17873 5.265143 114.7141       22.84775 55.62484       31.52602 180.0832       33.15899 26.81078 9.544559 55.32957 6.230833 -28.51880      11.39833 
1 1 1 -30 12 20 f 13.61491 6.301163 -6.782916      19.84513 28.77357       27.68014 -44.38937      28.46689 21.22491 8.589009 12.63795 6.249386 8.586958       10.62195 
1 1 1 -30 12 21 o 13.59757 6.289247 -6.346776      19.72502 -9.047101      26.97701 -3.244660      28.91444 15.24573 7.151793 16.34244 7.578236 -1.096716      10.42007 
1 1 1 -30 12 22 o 29.85957 7.372015 58.00702       21.41546 36.61035       29.22384 82.82420       31.47316 22.53906 8.924477 33.23335 9.307122 -10.69428      12.89453 
1 1 1 -30 12 23 o 34.27518 6.773027 73.26329       21.91713 80.56612       30.10848 65.03165       31.96585 32.91221 9.060439 28.26299 9.639077 4.649227       13.22888 
1 1 1 -30 12 24 o 12.67603 6.009612 -12.99620      19.98779 5.362487       27.70310 -32.92964      28.86680 16.94343 7.691529 13.36219 6.544965 3.581245       10.09932 
1 1 1 -30 12 25 o 23.90512 8.693621 43.29504       26.31765 49.27000       50.73071 41.09493       30.78402 23.30791 10.51106 22.95420 9.136730 0.3537045      13.92703 
1 1 1 -30 12 26 o 35.11057 8.196483 85.87921       27.65431 45.78000       50.81859 102.7495       32.96219 22.84092 10.38781 37.06577 9.142930 -14.22484      13.83834 
1 1 1 -30 12 27 f 48.20020 6.464309 142.2193       29.73020 136.0000       54.31980 144.8791       35.52314 34.48391 12.49716 46.08887 8.173508 -11.60497      14.93269 
1 1 1 -30 12 28 f 15.21656 7.091241 -4.279420      25.81013 -15.72000      48.53120 0.2325795      30.47766 17.82956 8.679033 16.63994 7.738119 1.189615       11.62773 
1 1 1 -30 12 29 f 23.53401 8.125111 40.49467       22.73202 7.276103       32.18477 73.56156       32.11121 17.63062 8.111131 29.66310 9.650014 -12.03248      12.60608 
1 1 1 -30 12 30 o 18.62223 7.921705 19.76496       25.26741 7.975268       30.64476 44.80000       44.65594 17.47218 7.992203 22.55920 10.04001 -5.087023      12.83265 
1 1 1 -30 12 31 f 16.63530 7.709743 2.111298       29.86387 2.111298       29.86387 0.000000       0.000000 16.63530 7.709743 ?        ?        ?              ?        
1 1 1 -30 12 32 o 15.66141 7.192156 1.251153       25.14709 -10.36438      30.36877 26.59000       44.85399 15.39431 7.329563 20.53947 9.494391 -5.145160      11.99441 
1 1 1 -30 12 33 o 23.95441 9.285509 48.70214       31.07591 32.96000       41.72095 68.32000       46.57450 21.03724 9.505390 25.10945 10.72047 -4.072216      14.32762 
1 1 1 -30 12 34 o 13.10570 6.263402 -14.27781      22.61504 -22.31752      31.12839 -5.290925      32.91100 14.40736 6.998934 16.19254 7.686835 -1.785181      10.39579 
1 1 1 -30 12 35 o 26.07796 8.266595 51.34055       23.67230 48.83748       32.73207 54.08544       34.27670 23.55447 9.406225 24.32284 9.654226 -0.7683754     13.47892 
1 1 1 -30 12 36 o 17.18683 7.697820 12.42961       26.69395 -6.557426      31.41209 61.78000       50.64232 15.67281 7.459970 23.24115 10.48951 -7.568335      12.87171 
1 1 1 -30 12 37 o 14.09502 6.938637 -30.98124      33.75939 42.40000       51.31436 -86.98000      44.82658 21.12434 9.894770 13.44141 6.807405 7.682927       12.01030 
1 1 1 -30 12 38 o 16.17939 7.218107 10.57478       23.22598 -8.450643      32.01060 31.72584       33.75148 15.32574 7.358155 19.89156 8.797162 -4.565823      11.46876 
1 1 1 -30 12 39 o 16.26477 7.219651 12.08987       22.93813 -10.67332      31.65140 37.27003       33.28937 14.95842 7.215960 20.46620 8.901903 -5.507777      11.45923 
1 1 1 -30 13 1  o 55.00992 3.994529 158.8839       21.36209 105.6583       33.06389 197.0211       27.98775 40.08472 8.678841 60.43265 4.770059 -20.34792      9.903319 
1 1 1 -30 13 2  o 17.49745 6.854680 15.03552       17.07852 29.12858       26.71435 5.294303       22.21000 21.87608 8.572140 16.48878 7.219531 5.387302       11.20728 
1 1 1 -30 13 3  o 19.42985 8.282383 16.09323       27.72077 16.09323       27.72077 0.000000       0.000000 19.42985 8.282383 ?        ?        ?              ?        
1 1 1 -30 13 4  o 31.41088 9.396677 70.08461       31.12648 57.35000       49.57809 78.37000       39.99019 26.59184 11.19358 31.25917 10.77741 -4.667332      15.53862 
1 1 1 -30 13 5  o 44.97542 5.830530 114.5865       25.06435 80.67522       30.31183 187.9000       44.56890 34.46186 8.918129 53.51392 8.815297 -19.05206      12.53964 
1 1 1 -30 13 6  o 48.41523 5.761390 132.3552       26.76840 138.0396       32.83957 121.1000       46.20953 47.70806 7.261072 38.49458 11.43316 9.213474       13.54401 
1 1 1 -30 13 7  o 30.78885 7.912143 61.08663       23.97250 64.07648       29.02508 54.67000       42.52088 30.24415 9.080037 26.35305 10.65213 3.891108       13.99696 
1 1 1 -30 13 8  o 14.63193 6.439608 1.908013       17.87797 4.767802       26.76636 -0.3954463     24.02219 17.37806 7.751077 15.97677 7.216384 1.401294       10.59034 
1 1 1 -30 13 9  o 13.40555 6.119938 -4.932102      17.85324 9.368957       26.70231 -16.49331      24.00858 18.06183 7.911969 13.89944 6.588674 4.162395       10.29611 
1 1 1 -30 13 10 o 15.26151 6.607761 4.753905       18.17051 -2.460554      27.07685 10.66469       24.50862 16.40950 7.508538 17.84966 7.701085 -1.440161      10.75569 
1 1 1 -30 13 11 o 32.24473 7.196779 64.16895       22.13815 34.29000       38.05848 79.44897       27.21640 23.07909 9.765841 35.01588 8.101616 -11.93679      12.68889 
1 1 1 -30 13 12 o 14.11793 6.487761 -5.817304      20.51050 11.50000       34.85532 -14.98998      25.36746 19.56577 8.777229 14.41773 6.815989 5.148047       11.11294 
1 1 1 -30 13 13 o 27.79880 7.948298 50.88069       22.71296 57.13000       39.49004 47.79145       27.76498 26.66150 10.42961 25.95191 8.978709 0.7095909      13.76205 
1 1 1 -30 13 14 o 14.06039 6.654045 -14.88184      24.29616 -14.42759      29.30771 -15.88000      43.44454 15.43931 7.307075 18.05384 8.642493 -2.614527      11.31751 
1 1 1 -30 13 15 o 25.25766 7.538710 41.44924       20.05187 26.37849       30.05500 53.53882       26.91876 21.08667 8.784390 27.41382 8.828705 -6.327147      12.45438 
1 1 1 -30 13 16 o 14.09870 6.416990 -3.136766      19.44050 -4.764543      29.01040 -1.809981      26.19127 16.36481 7.589366 16.09987 7.373568 0.2649364      10.58149 
1 1 1 -30 13 17 f 42.44593 5.508272 102.3592       22.34614 69.53270       32.24876 132.6790       30.99306 30.08925 9.660766 46.50733 7.027236 -16.41808      11.94623 
1 1 1 -30 13 18 o 16.57472 7.074274 9.904442       20.26904 -9.410388      28.77818 28.91773       28.55265 15.68249 7.366176 21.26990 8.680202 -5.587410      11.38448 
1 1 1 -30 13 19 o 18.09763 7.388204 16.71413       20.69430 -36.32853      28.86877 72.78134       29.68043 13.30082 6.521167 31.57952 9.103862 -18.27870      11.19848 
1 1 1 -30 13 20 o 59.53188 4.373153 191.6345       25.30517 159.3230       35.25578 225.9692       36.34280 50.16989 7.401297 62.07678 6.058131 -11.90689      9.564526 
1 1 1 -30 13 21 o 27.39603 7.700671 50.54064       21.50423 37.50298       30.19762 63.95446       30.63015 22.65096 9.038292 28.56758 9.432383 -5.916615      13.06371 
1 1 1 -30 13 22 o 25.35918 7.782517 44.31082       21.16278 61.43233       29.67043 26.57993       30.19382 27.95428 9.285406 20.48142 8.683968 7.472857       12.71338 
1 1 1 -30 13 23 o 13.18550 6.179934 -9.097031      20.06846 -14.92407      27.50481 -2.463368      29.34685 14.55061 6.941121 16.26253 7.572926 -1.711920      10.27270 
1 1 1 -30 13 24 o 15.38245 6.820246 4.994714       20.41262 -7.821286      28.60862 18.28590       29.13416 15.47432 7.291988 18.91254 8.275017 -3.438222      11.02946 
1 1 1 -30 13 25 o 26.46899 8.783574 53.83372       26.55158 -5.712000      49.67482 77.65017       31.41590 18.60406 8.990683 31.15600 9.466796 -12.55194      13.05575 
1 1 1 -30 13 26 o 25.41374 8.847302 50.03074       26.97786 93.57000       52.01444 34.00802       31.55379 28.41166 11.66899 21.54811 8.990556 6.863550       14.73077 
1 1 1 -30 13 27 o 29.64037 8.847574 66.62579       27.61819 84.58000       51.75808 59.47867       32.65580 27.14273 11.43191 26.38999 9.670542 0.7527447      14.97358 
1 1 1 -30 13 28 o 15.88148 7.307079 1.071370       26.12826 -28.83000      48.96729 12.97338       30.89375 17.01962 8.374094 18.15305 8.192979 -1.133427      11.71539 
1 1 1 -30 13 29 o 17.13862 7.543223 11.66260       24.53392 -2.774276      30.00927 40.76000       42.60358 16.14005 7.562263 22.13402 9.831255 -5.993963      12.40328 
1 1 1 -30 13 30 o 23.23054 8.506462 41.31709       25.25994 40.90923       30.59720 42.19000       44.76262 22.55458 9.064434 22.17601 9.947574 0.3785763      13.45802 
1 1 1 -30 13 31 o 18.50313 7.641676 20.55285       22.47014 23.43643       30.48988 17.12489       33.24354 19.50572 8.501264 18.82180 8.496454 0.6839199      12.01920 
1 1 1 -30 13 32 o 22.65018 9.105957 41.94569       30.88940 21.70000       41.52419 67.03000       46.22065 19.85382 9.162416 25.00986 10.67885 -5.156044      14.07081 
1 1 1 -30 13 33 o 17.12703 7.662505 11.18364       26.37045 -12.29810      32.43397 56.98000       45.29502 15.47825 7.424891 23.53045 10.30617 -8.052203      12.70221 
1 1 1 -30 13 34 o 25.46169 8.859848 52.77296       27.05278 40.20995       32.48693 81.19000       48.85975 21.98215 9.143160 26.12006 11.05949 -4.137909      14.34956 
1 1 1 -30 13 35 o 14.68575 6.933355 -6.822987      26.08512 -2.353436      31.12529 -17.37000      47.81302 16.08088 7.586424 17.12182 8.394093 -1.040937      11.31435 
1 1 1 -30 13 36 o 18.58834 8.164872 21.33380       28.61197 -16.73000      52.64798 37.28777       34.08474 17.43929 8.600269 21.04314 9.080364 -3.603857      12.50670 
1 1 1 -30 13 37 o 18.88865 7.843210 25.07575       23.84847 35.33188       33.71758 14.80835       33.73610 20.48376 8.933520 17.87130 8.251454 2.612455       12.16118 
1 1 1 -30 13 38 o 14.76733 6.965077 -2.910439      26.20718 -14.72378      32.11215 20.65000       45.34973 14.70802 7.136543 18.74473 8.933743 -4.036710      11.43425 
1 1 1 -30 13 39 o 15.66021 7.276150 4.930736       26.85601 27.06797       32.05772 -47.17000      49.18050 18.85371 8.440752 15.14465 7.600495 3.709057       11.35842 
1 1 1 -30 14 1  o 40.15537 12.11537 139.3000       51.58079 139.3000       51.58079 0.000000       0.000000 40.15537 12.11537 ?        ?        ?              ?        
1 1 1 -30 14 2  o 21.35065 9.777340 14.70000       46.03525 14.70000       46.03525 0.000000       0.000000 21.35065 9.777340 ?        ?        ?              ?        
1 1 1 -30 14 3  o 19.92554 7.893450 21.98190       22.87183 -1.822308      28.17617 67.97000       39.16316 16.76690 7.667304 29.08629 10.60104 -12.31939      13.08318 
1 1 1 -30 14 4  f 25.90302 8.138435 44.34326       22.99129 28.08609       27.80725 79.47000       40.87469 21.60221 8.655173 31.09956 10.88591 -9.497347      13.90737 
1 1 1 -30 14 5  o 16.80867 7.281616 7.616510       22.08986 3.090813       27.04842 16.68000       38.27780 17.16861 7.714504 20.73368 9.257031 -3.565069      12.05015 
1 1 1 -30 14 6  o 32.58450 7.616340 67.05526       23.85376 50.50607       28.80146 103.2000       42.56462 26.65411 9.147930 35.65952 11.05369 -9.005413      14.34813 
1 1 1 -30 14 7  o 45.39996 4.745909 111.8737       20.77904 92.98707       31.04259 127.2057       27.96913 37.31573 8.665401 46.83774 6.257038 -9.522011      10.68830 
1 1 1 -30 14 8  o 20.02859 7.276571 23.78559       18.43106 21.14374       28.02798 25.79842       24.46478 20.21785 8.457212 20.85875 8.194372 -0.6408997     11.77592 
1 1 1 -30 14 9  o 16.99472 6.950004 12.57566       18.35147 25.65107       28.34948 3.144666       24.07666 21.04976 8.626675 16.45652 7.344930 4.593243       11.32994 
1 1 1 -30 14 10 o 16.83472 7.124640 10.17393       20.26131 25.49000       37.15148 3.689976       24.17254 21.63642 9.407582 16.54333 7.373186 5.093088       11.95268 
1 1 1 -30 14 11 o 18.52987 7.432295 17.73048       20.52789 7.255000       37.12294 22.34449       24.63739 19.29242 8.814080 20.01196 8.101377 -0.7195435     11.97165 
1 1 1 -30 14 12 o 25.95156 7.905665 44.68075       21.89000 30.90000       38.02642 51.51060       26.77039 22.29335 9.605226 26.95621 8.813817 -4.662868      13.03625 
1 1 1 -30 14 13 o 20.80334 7.622411 26.99623       20.28725 -16.74337      30.52508 61.60165       27.15135 15.45564 7.355833 29.57760 8.758628 -14.12196      11.43774 
1 1 1 -30 14 14 o 52.16387 4.652308 147.9713       23.50539 108.2653       34.03033 184.1985       32.50537 39.51006 9.001009 56.49047 5.968745 -16.98042      10.80019 
1 1 1 -30 14 15 o 42.57340 5.627669 103.4908       22.87783 75.82001       33.64774 127.2808       31.19912 31.28390 9.847753 45.22745 7.295677 -13.94355      12.25582 
1 1 1 -30 14 16 o 24.17509 7.735967 38.96138       20.69116 23.70078       30.00152 52.80437       28.57409 20.42294 8.657598 26.63581 9.112654 -6.212873      12.56958 
1 1 1 -30 14 17 o 28.95553 7.400416 54.19609       21.05105 31.24564       29.72127 77.29979       29.82034 21.71959 8.858951 32.73649 9.018910 -11.01690      12.64206 
1 1 1 -30 14 18 o 34.30354 6.624472 71.69327       21.43777 46.42116       29.63430 99.43840       31.05042 24.83804 9.193137 38.12779 8.533257 -13.28975      12.54313 
1 1 1 -30 14 19 o 54.81702 5.163794 168.8613       27.38066 183.4000       45.21859 160.4448       34.40508 50.21062 9.549457 50.66125 7.135525 -0.4506340     11.92090 
1 1 1 -30 14 20 o 13.27441 6.223614 -9.654576      20.38109 10.54585       28.58356 -30.54694      29.06899 17.91877 7.999875 13.66096 6.664717 4.257808       10.41232 
1 1 1 -30 14 21 o 13.28485 6.198649 -7.840021      19.81909 -3.703096      27.75356 -12.14499      28.31164 15.82111 7.366400 15.02780 7.132638 0.7933111      10.25370 
1 1 1 -30 14 22 o 11.95136 5.747210 -18.38474      19.70744 -37.60820      27.04391 3.382852       28.77789 12.52477 6.174224 16.83890 7.718405 -4.314125      9.884069 
1 1 1 -30 14 23 o 20.66285 7.726495 28.80710       21.03555 19.57673       29.20310 38.76109       30.32619 19.09374 8.320852 22.47449 9.026989 -3.380749      12.27693 
1 1 1 -30 14 24 o 15.10736 6.794011 2.806773       21.02807 -8.231681      29.49116 14.22296       29.99151 15.55169 7.351190 18.31713 8.184963 -2.765444      11.00153 
1 1 1 -30 14 25 o 39.08749 7.681097 101.7567       28.33930 83.56000       53.50818 108.8509       33.40986 26.77353 11.46233 38.37365 9.043827 -11.60011      14.60054 
1 1 1 -30 14 26 o 20.78752 8.416858 30.01129       26.59902 -14.00000      50.01586 47.36746       31.40889 18.11266 8.815475 24.02426 9.328892 -5.911600      12.83514 
1 1 1 -30 14 27 o 31.46191 8.719637 74.15096       27.78156 104.8000       52.27856 62.08947       32.79561 29.45727 11.84501 26.68489 9.704732 2.772375       15.31294 
1 1 1 -30 14 28 o 17.28988 8.020380 4.291508       32.42976 0.3111000      49.40006 7.306000       42.99033 18.80544 9.057471 18.76927 8.873161 0.3616905E-01  12.67954 
1 1 1 -30 14 29 f 28.14086 8.709479 60.90676       26.43702 61.76857       32.95190 59.35000       44.28809 26.44882 9.710632 24.26651 10.40935 2.182304       14.23555 
1 1 1 -30 14 30 o 12.63952 6.054311 -15.87827      21.39119 4.807350       29.77298 -37.94997      30.75431 16.88895 7.781286 13.28371 6.555121 3.605241       10.17438 
1 1 1 -30 14 31 o 20.08969 8.102381 27.88240       24.54048 -0.9943000     38.17709 48.21618       32.03598 17.42358 8.273478 23.72985 9.360259 -6.306265      12.49259 
1 1 1 -30 14 32 o 18.39946 7.867607 19.76791       25.15331 22.01258       30.83099 15.30000       43.49745 19.13265 8.437061 19.19328 9.028024 -0.6063080E-01 12.35675 
1 1 1 -30 14 33 o 18.82906 7.974300 22.32157       25.41195 29.98699       30.33703 4.293000       46.52493 20.28812 8.656814 18.47556 8.870545 1.812559       12.39464 
1 1 1 -30 14 34 o 19.30924 8.096036 24.94567       25.77649 6.838865       30.76058 67.64000       47.23443 17.06989 7.880626 24.48909 10.62812 -7.419201      13.23107 
1 1 1 -30 14 35 o 12.67949 6.109900 -17.04040      22.54349 -15.88285      31.04100 -18.33236      32.79379 14.72700 7.114604 14.85388 7.208387 -0.1268816     10.12810 
1 1 1 -30 14 36 o 12.58890 6.076689 -17.21419      22.53096 -54.28918      31.03741 24.08904       32.75948 12.13394 6.082235 18.99458 8.516034 -6.860646      10.46501 
1 1 1 -30 14 37 o 28.33890 8.387486 63.89808       24.90428 52.47232       35.41661 75.07355       35.02657 22.71561 9.504761 27.00016 9.994375 -4.284552      13.79232 
1 1 1 -30 14 38 o 22.88968 8.768557 47.05659       27.47964 -1.551000      45.59885 74.77686       34.43504 17.17167 8.370806 26.92075 9.919461 -9.749077      12.97945 
1 1 1 -30 15 1  o 21.74575 8.695862 29.20760       28.01371 54.67000       48.12736 16.16000       34.45146 25.90012 10.97177 20.14257 8.898975 5.757551       14.12698 
1 1 1 -30 15 2  o 19.33699 8.706349 9.814000       34.64642 0.000000       0.000000 9.814000       34.64642 ?        ?        19.33699 8.706349 ?              ?        
1 1 1 -30 15 3  o 19.77103 8.493402 17.72845       29.56605 5.865000       46.63781 25.70000       38.22996 20.42925 9.524406 21.79203 9.508167 -1.362780      13.45807 
1 1 1 -30 15 4  f 30.39452 8.028708 60.56220       24.23823 52.58109       29.88639 75.90000       41.43081 26.89349 9.314858 30.01098 10.90877 -3.117485      14.34461 
1 1 1 -30 15 5  o 38.79932 5.500072 84.82868       20.30333 63.69509       30.16251 102.3380       27.45464 29.62812 9.323427 40.99864 7.098257 -11.37052      11.71800 
1 1 1 -30 15 6  o 28.92314 6.816289 51.09561       18.97927 33.77234       28.55924 64.79745       25.39926 22.64472 8.866187 31.26338 8.200003 -8.618660      12.07681 
1 1 1 -30 15 7  o 12.89950 5.951924 -6.993821      17.51071 -27.74867      26.69275 8.685661       23.20061 13.52459 6.549099 17.14708 7.445133 -3.622487      9.915680 
1 1 1 -30 15 8  o 14.54198 6.509862 -0.7762380E-01 19.06413 -35.86000      32.46967 18.74700       23.55084 14.40036 7.029444 19.12326 7.852776 -4.722904      10.53941 
1 1 1 -30 15 9  o 24.97911 7.754611 40.97555       20.93968 15.49000       37.87335 52.19597       25.12994 20.26392 9.115021 27.49742 8.488212 -7.233505      12.45525 
1 1 1 -30 15 10 o 43.93466 5.471601 109.0490       23.02182 106.5000       42.42323 110.1129       27.40870 35.67371 11.03149 42.71884 6.781161 -7.045132      12.94905 
1 1 1 -30 15 11 f 27.97560 7.174919 49.48007       19.74018 40.50035       31.44922 55.31806       25.35773 23.73019 9.300194 28.22932 8.489732 -4.499138      12.59242 
1 1 1 -30 15 12 o 16.02143 6.857221 8.021156       19.14036 -14.27675      30.17723 23.02895       24.75744 15.58855 7.388597 20.01361 8.114161 -4.425061      10.97410 
1 1 1 -30 15 13 f 36.23541 6.266109 77.76867       21.42087 57.97195       32.27940 93.34698       28.63445 27.30943 9.664303 37.77858 7.993287 -10.46915      12.54159 
1 1 1 -30 15 14 o 27.62232 7.570284 50.03012       21.07263 40.71295       30.75761 58.27226       28.92880 23.60539 9.213096 27.95222 9.163593 -4.346828      12.99433 
1 1 1 -30 15 15 o 12.03405 5.792552 -20.23753      20.13230 -23.03818      29.71342 -17.86068      27.37310 14.56333 7.016887 14.45145 6.902260 0.1118765      9.842656 
1 1 1 -30 15 16 o 44.31301 5.479076 111.8175       23.25965 78.68858       33.22031 143.6763       32.57734 31.84639 9.746433 48.10668 7.134218 -16.26029      12.07849 
1 1 1 -30 15 17 o 32.31739 6.992404 65.55052       21.47555 45.44447       30.59412 85.08060       30.15271 24.40330 9.275434 34.52162 8.874774 -10.11832      12.83726 
1 1 1 -30 15 18 o 20.30048 7.675236 26.41935       20.88232 -9.523189      29.78961 61.14524       29.28109 15.73150 7.421677 28.20698 9.217558 -12.47548      11.83405 
1 1 1 -30 15 19 o 19.89924 7.638317 25.20594       20.88051 25.72530       29.75381 24.70195       29.31018 20.34933 8.623887 20.15109 8.550434 0.1982403      12.14419 
1 1 1 -30 15 20 o 33.79254 6.887543 72.20293       22.00817 103.5647       31.32452 41.63051       30.92778 38.30223 8.569740 23.10811 9.170997 15.19412       12.55180 
1 1 1 -30 15 21 f 14.97813 6.711360 2.676631       20.31371 -8.104467      27.97922 14.69422       29.54015 15.32854 7.219606 18.44659 8.190295 -3.118052      10.91804 
1 1 1 -30 15 22 o 20.11464 7.630685 26.81067       20.68180 27.91282       28.75557 25.62957       29.76766 20.42580 8.556764 20.06719 8.569226 0.3586121      12.10991 
1 1 1 -30 15 23 o 14.24410 6.518213 -1.672491      20.41063 -24.87402      28.12999 24.12295       29.66079 13.70646 6.657261 19.75907 8.497887 -6.052618      10.79505 
1 1 1 -30 15 24 o 21.78482 7.926602 33.40293       21.88253 44.66467       31.19071 22.48701       30.70809 23.49121 9.245209 19.59616 8.536291 3.895044       12.58341 
1 1 1 -30 15 25 o 25.61007 8.821729 50.99352       26.79156 7.573000       50.71865 67.79867       31.55305 19.54952 9.352978 28.55207 9.577407 -9.002542      13.38674 
1 1 1 -30 15 26 o 14.38723 6.849835 -12.49801      26.51890 -13.58000      49.49244 -12.06227      31.40806 17.90318 8.725951 15.46238 7.387397 2.440794       11.43310 
1 1 1 -30 15 27 o 34.27263 9.884277 97.34224       34.98048 109.1000       52.97164 88.25000       46.58182 29.85582 11.95139 28.26957 11.24355 1.586250       16.40894 
1 1 1 -30 15 28 o 17.20898 8.021406 3.525759       33.05245 -9.341000      49.67176 13.75000       44.27825 18.09640 8.802474 19.30164 9.088209 -1.205235      12.65224 
1 1 1 -30 15 29 o 41.33333 7.379304 112.8405       28.75984 52.25000       53.84034 137.0319       34.02011 22.84926 10.50428 44.43710 8.120531 -21.58784      13.27716 
1 1 1 -30 15 30 o 32.05369 8.247380 74.20445       26.02494 60.44000       42.51656 82.45193       32.91088 24.47389 10.33734 31.21463 9.726764 -6.740744      14.19403 
1 1 1 -30 15 31 o 17.65744 7.460479 17.19547       22.15603 35.82730       31.31202 -1.487250      31.35476 21.32507 8.930951 16.31220 7.670392 5.012869       11.77271 
1 1 1 -30 15 32 o 30.15241 8.688651 70.21436       27.04037 43.39257       32.53714 130.1000       48.61799 22.47345 9.229514 33.99758 11.87429 -11.52414      15.03937 
1 1 1 -30 15 33 o 15.52913 7.186431 0.5717679      25.80427 -5.931829      30.85939 15.69000       47.05015 15.72491 7.458604 19.32657 9.179304 -3.601662      11.82753 
1 1 1 -30 15 34 o 13.88637 6.661396 -13.89305      26.10944 -16.28791      31.09448 -8.168000      48.07658 14.70692 7.108769 17.53149 8.556951 -2.824566      11.12457 
1 1 1 -30 15 35 o 16.89265 7.594838 12.08062       26.25763 3.461150       31.61454 31.25000       47.14662 16.50554 7.742577 20.08336 9.431732 -3.577812      12.20267 
1 1 1 -30 15 36 o 13.03575 6.241327 -12.43914      22.67778 9.904510       31.92237 -35.20444      32.22217 17.04961 7.925491 13.37614 6.620626 3.673469       10.32696 
1 1 1 -30 15 37 o 13.75667 6.507226 -6.079515      23.18388 -58.31567      32.42884 48.52948       33.15721 12.08595 6.079769 22.12749 9.222974 -10.04154      11.04658 
1 1 1 -30 16 1  o 24.99836 9.062126 44.80759       28.56513 35.48000       49.13359 49.57000       35.10807 23.29589 10.43808 25.45101 9.868474 -2.155123      14.36455 
1 1 1 -30 16 2  o 25.96109 9.175589 49.08081       29.08981 3.003000       49.90100 72.80000       35.80250 20.34265 9.599676 30.26986 10.20230 -9.927212      14.00859 
1 1 1 -30 16 3  o 45.37139 6.312986 120.8110       27.27812 0.000000       0.000000 120.8110       27.27812 ?        ?        45.37139 6.312986 ?              ?        
1 1 1 -30 16 4  o 35.87140 7.142778 79.54981       24.19792 -27.42000      51.91680 109.2373       27.35041 18.46266 8.984834 42.57486 6.791020 -24.11219      11.26256 
1 1 1 -30 16 5  o 23.75283 9.244335 40.24358       30.89635 39.95000       52.40467 40.40000       38.25153 23.73723 10.69580 23.64392 9.884420 0.9330750E-01  14.56372 
1 1 1 -30 16 6  o 55.78494 5.570820 176.2214       30.01246 0.000000       0.000000 176.2214       30.01246 ?        ?        55.78494 5.570820 ?              ?        
1 1 1 -30 16 7  o 27.43386 7.654405 49.23713       21.33028 -10.80000      38.25765 76.31815       25.69454 17.51879 8.308078 34.28125 7.829613 -16.76246      11.41609 
1 1 1 -30 16 8  o 13.79187 6.344248 -5.531764      19.68110 -68.63000      35.83612 21.71915       23.55065 13.18285 6.597437 19.62463 7.929280 -6.441780      10.31502 
1 1 1 -30 16 9  o 22.52441 7.788167 33.26766       20.88879 -28.84000      36.83255 62.71490       25.36188 15.78956 7.657046 30.36270 8.298512 -14.57314      11.29140 
1 1 1 -30 16 10 o 10.63749 5.209822 -27.67311      18.27603 -84.78177      28.79979 10.83012       23.64759 10.63769 5.394935 17.45192 7.547142 -6.814223      9.277104 
1 1 1 -30 16 11 o 17.67712 7.145542 15.73658       19.13460 3.942429       29.63469 24.16928       25.05822 17.45476 7.936017 20.17287 8.168913 -2.718109      11.38910 
1 1 1 -30 16 12 f 19.06358 7.417977 21.14227       19.89136 -14.42561      30.44140 47.64447       26.27705 15.52664 7.377084 25.65569 8.739589 -10.12905      11.43686 
1 1 1 -30 16 13 o 16.81168 7.079058 11.63128       19.83949 -12.39035      30.04042 30.21353       26.42128 15.61782 7.393424 21.41712 8.484009 -5.799299      11.25349 
1 1 1 -30 16 14 o 14.93877 6.666327 1.909721       19.82394 -9.614700      28.90051 12.15044       27.24340 15.64459 7.358842 18.14688 7.969206 -2.502298      10.84716 
1 1 1 -30 16 15 o 24.95671 7.749290 42.05459       20.90972 18.54447       29.86339 64.66541       29.28666 19.41444 8.438052 29.30834 9.182042 -9.893896      12.47039 
1 1 1 -30 16 16 o 14.23779 6.513166 -2.844801      20.35666 6.375294       29.84529 -10.86573      27.83687 17.58032 7.981721 15.16003 7.158815 2.420286       10.72178 
1 1 1 -30 16 17 o 27.19812 7.641892 49.91512       21.18177 55.67242       30.25527 44.38044       29.66457 26.47777 9.357647 23.99194 9.130043 2.485830       13.07376 
1 1 1 -30 16 18 o 24.72092 7.808641 42.47194       21.13891 7.180918       29.54003 79.51141       30.26294 17.46655 7.934294 32.40365 9.144778 -14.93710      12.10702 
1 1 1 -30 16 19 o 18.76638 7.492329 21.16718       20.76205 -0.8457671     29.06647 44.09867       29.66669 16.34609 7.586201 23.66857 9.099627 -7.322474      11.84709 
1 1 1 -30 16 20 f 16.13020 7.038693 8.578037       20.95604 -5.758358      29.67085 22.84787       29.60189 15.89651 7.470743 19.65381 8.471391 -3.757294      11.29497 
1 1 1 -30 16 21 o 12.96967 6.136405 -11.62410      20.63982 -21.55116      28.95831 -1.374137      29.42551 14.18458 6.857251 16.26171 7.576072 -2.077131      10.21855 
1 1 1 -30 16 22 o 15.43183 6.867457 5.081569       20.88922 16.51199       29.16548 -6.958459      29.93311 18.52194 8.185203 15.74251 7.430717 2.779433       11.05500 
1 1 1 -30 16 23 o 16.01908 7.032753 7.991204       21.20302 -6.650761      29.59065 23.44182       30.39679 15.72668 7.412498 19.70236 8.538427 -3.975683      11.30707 
1 1 1 -30 16 24 o 19.51175 8.189002 23.92671       26.41187 16.52000       51.77225 26.53255       30.70852 20.18199 9.597989 20.14346 8.654707 0.3852844E-01  12.92383 
1 1 1 -30 16 25 o 23.11738 8.738582 41.92148       27.06631 17.14000       51.60802 51.32407       31.78904 20.06072 9.552323 24.48781 9.418230 -4.427095      13.41454 
1 1 1 -30 16 26 o 22.37317 9.347960 41.19404       34.18362 32.41000       51.82252 47.96000       45.48163 21.25618 9.952367 22.80932 10.14300 -1.553146      14.21021 
1 1 1 -30 16 27 o 20.61687 8.505926 30.63256       27.80191 -4.172000      52.36386 44.29516       32.80805 18.61456 9.050721 22.89931 9.319804 -4.284754      12.99132 
1 1 1 -30 16 28 o 15.02954 7.072977 -6.350468      26.75628 -30.01000      51.36568 2.459683       31.34452 17.09180 8.441253 16.82024 7.830546 0.2715607      11.51400 
1 1 1 -30 16 29 o 20.72616 8.800928 31.62521       31.09162 0.000000       0.000000 31.62521       31.09162 ?        ?        20.72616 8.800928 ?              ?        
1 1 1 -30 16 30 o 13.60915 6.373033 -6.740292      21.26512 -22.67284      30.35236 8.619725       29.80202 14.20733 6.903920 17.22143 7.879028 -3.014107      10.47584 
1 1 1 -30 16 31 o 14.50883 6.673167 -0.6813132     21.76469 -6.818654      30.20091 5.950335       31.39357 15.51450 7.364551 17.03771 7.899187 -1.523212      10.79971 
1 1 1 -30 16 32 o 13.78509 6.809193 -37.29349      33.46875 -53.09000      50.15222 -24.61000      44.93957 15.68491 7.842920 16.40828 8.063183 -0.7233667     11.24839 
1 1 1 -30 16 33 o 18.95311 8.067965 24.01572       26.24018 22.65996       31.46800 27.11000       47.53978 18.94973 8.431179 19.97689 9.409498 -1.027166      12.63422 
1 1 1 -30 16 34 o 27.53459 8.972758 63.91685       27.75597 59.59151       33.19915 73.96000       50.58855 24.86457 9.608546 24.05635 10.69743 0.8082218      14.37912 
1 1 1 -30 16 35 o 17.27178 7.740968 15.25211       27.04239 -20.75103      32.17374 101.9000       49.91262 14.34321 7.000628 27.10755 11.30861 -12.76434      13.30013 
1 1 1 -30 16 36 o 19.23542 7.870604 28.32870       23.55099 38.43777       32.93829 17.75511       33.68657 20.51163 8.888680 17.83570 8.238703 2.675934       12.11961 
1 1 1 -30 16 37 o 28.04703 9.015083 70.16045       28.07661 87.58373       33.97007 32.60000       49.87659 29.50551 9.937765 19.33772 9.257925 10.16780       13.58191 
1 1 1 -30 17 1  o 27.19483 7.131279 46.81862       19.21282 -3.371425      29.42264 84.12896       25.36807 16.57730 7.672287 36.59920 7.336937 -20.02190      10.61577 
1 1 1 -30 17 2  o 49.42669 5.230922 136.5684       24.92372 96.59000       54.69687 147.0445       27.99949 30.34157 12.14492 50.67068 5.746658 -20.32911      13.43589 
1 1 1 -30 17 3  o 44.90292 5.668105 115.2279       24.35858 71.10000       56.27037 125.4039       27.02157 26.82770 11.62183 46.35228 6.103904 -19.52458      13.12724 
1 1 1 -30 17 4  o 49.88209 5.341907 139.8636       25.67668 112.7000       62.26464 145.4296       28.18479 31.11184 12.77135 50.26477 5.836969 -19.15294      14.04200 
1 1 1 -30 17 5  o 21.44743 8.293231 29.77881       24.74339 0.000000       0.000000 29.77881       24.74339 ?        ?        21.44743 8.293231 ?              ?        
1 1 1 -30 17 6  o 23.66394 9.932639 41.96000       38.86270 0.000000       0.000000 41.96000       38.86270 ?        ?        23.66394 9.932639 ?              ?        
1 1 1 -30 17 7  o 34.86103 8.226872 81.59199       27.61712 0.000000       0.000000 81.59199       27.61712 ?        ?        34.86103 8.226872 ?              ?        
1 1 1 -30 17 8  o 41.37496 6.573734 103.1579       25.73344 -26.46000      59.31201 133.2150       28.56169 19.11033 9.364875 47.39968 6.312868 -28.28935      11.29394 
1 1 1 -30 17 9  o 34.00844 6.558465 70.22150       21.04083 48.54834       32.45853 85.92950       27.63300 24.99533 9.541059 35.94988 8.053116 -10.95455      12.48537 
1 1 1 -30 17 10 o 14.81259 6.630603 1.286938       19.77463 -40.39492      31.16603 29.37503       25.58403 13.57530 6.679666 21.20389 8.364490 -7.628583      10.70433 
1 1 1 -30 17 11 o 19.51356 7.506951 22.97690       20.19954 -5.484152      30.94068 44.11767       26.66642 16.50415 7.715277 24.61399 8.776487 -8.109840      11.68556 
1 1 1 -30 17 12 o 31.51091 7.007133 62.39944       21.05366 31.20075       31.43050 87.79151       28.35517 21.63882 8.996223 36.07482 8.214704 -14.43600      12.18250 
1 1 1 -30 17 13 o 48.39188 4.896360 130.0871       22.87397 82.55772       33.21460 172.9640       31.54714 32.54675 9.699675 54.23689 6.044989 -21.69014      11.42915 
1 1 1 -30 17 14 o 28.14137 7.609210 52.92145       21.45883 18.32732       31.46920 82.98766       29.33755 19.40146 8.540994 34.05520 8.753534 -14.65374      12.23000 
1 1 1 -30 17 15 o 16.08559 7.026685 7.718455       20.93257 -15.99202      30.88449 27.86524       28.46906 15.27448 7.305215 20.68007 8.576686 -5.405594      11.26613 
1 1 1 -30 17 16 o 18.51356 7.489810 19.76900       21.04226 12.22408       30.71316 26.44346       28.88721 18.29357 8.220211 20.32852 8.549952 -2.034948      11.86059 
1 1 1 -30 17 17 o 16.03081 6.977342 8.524034       20.47982 50.96982       29.10981 -33.07521      28.81806 25.26573 9.149650 13.28982 6.515706 11.97591       11.23256 
1 1 1 -30 17 18 o 21.45381 7.837333 31.82275       21.42315 7.947121       29.84567 57.19892       30.76926 17.52169 7.965574 26.36827 9.424671 -8.846581      12.33997 
1 1 1 -30 17 19 o 38.69482 6.150389 90.63393       22.51625 76.72880       31.40770 105.3372       32.29648 30.85576 9.483081 37.95913 8.855205 -7.103376      12.97472 
1 1 1 -30 17 20 o 11.98831 5.787913 -19.73905      20.46484 -15.73976      29.07315 -23.66680      28.81192 14.68871 7.041799 13.94039 6.763098 0.7483234      9.763526 
1 1 1 -30 17 21 o 27.54004 7.934908 53.69253       22.55364 10.69552       31.73914 97.54827       32.05452 17.99739 8.194497 35.93490 9.103979 -17.93751      12.24876 
1 1 1 -30 17 22 o 20.38992 7.830538 28.23908       21.95211 4.091236       31.11929 52.15761       30.97118 17.14439 7.919078 25.00947 9.370479 -7.865076      12.26856 
1 1 1 -30 17 23 f 20.67884 8.423359 30.34249       26.82777 52.12000       52.25808 22.54909       31.26172 23.05407 10.50382 19.47398 8.544830 3.580088       13.54047 
1 1 1 -30 17 24 o 13.39989 6.502590 -23.19284      26.68101 -2.877000      50.25668 -31.16610      31.48432 18.56503 8.989018 13.91228 6.818733 4.652749       11.28262 
1 1 1 -30 17 25 o 25.06377 9.795808 57.06668       34.81053 152.0000       54.43689 -8.609000      45.27789 36.08200 12.56724 17.68954 8.557176 18.39246       15.20398 
1 1 1 -30 17 26 o 18.07357 7.912612 16.59484       26.67299 21.71000       51.29856 14.69953       31.22596 20.23964 9.604810 18.25159 8.237231 1.988054       12.65323 
1 1 1 -30 17 27 o 31.14222 8.812236 74.44192       28.06367 22.19000       54.65427 93.15147       32.70429 20.37941 9.738889 33.99121 9.475756 -13.61180      13.58808 
1 1 1 -30 17 28 f 23.71049 9.354723 48.68588       32.00454 0.000000       0.000000 48.68588       32.00454 ?        ?        23.71049 9.354723 ?              ?        
1 1 1 -30 17 29 o 14.62230 6.904288 -7.532415      25.88224 -75.04000      50.03483 17.13101       30.24286 14.85775 7.484179 18.35848 8.210196 -3.500728      11.10947 
1 1 1 -30 17 30 o 13.17336 6.369626 -19.49488      25.01628 -38.30847      30.48191 19.32000       43.78300 13.06681 6.462426 19.39823 9.103348 -6.331412      11.16395 
1 1 1 -30 17 31 o 14.53953 6.904644 -9.264076      26.60155 -46.73000      50.81458 4.879844       31.22159 16.01486 7.990421 16.86329 7.838588 -0.8484325     11.19331 
1 1 1 -30 17 32 o 16.16891 7.150828 10.12194       22.30103 17.74270       30.02345 0.7422332      33.30859 18.17542 8.150414 16.57813 7.829186 1.597288       11.30157 
1 1 1 -30 17 33 o 19.21063 8.119044 26.27001       26.25258 13.86880       31.09606 57.04000       48.98204 17.62550 8.057985 22.41553 10.19592 -4.790033      12.99569 
1 1 1 -30 17 34 f 14.89188 6.983203 -1.624462      25.67927 -13.14536      30.37326 27.25000       48.08451 14.61512 7.054914 19.49032 9.263558 -4.875196      11.64411 
1 1 1 -30 17 35 o 21.87499 8.620812 42.47343       27.15241 17.59916       32.47976 100.2000       49.47952 17.76308 8.163344 26.38903 11.14927 -8.625952      13.81834 
1 1 1 -30 17 36 o 26.82602 9.001554 64.80269       27.87258 42.76655       33.28706 116.5000       50.98492 21.01148 9.018927 27.84597 11.50654 -6.834490      14.61990 
1 1 1 -30 18 1  o 29.58451 6.909722 54.81855       19.64540 21.69500       29.39118 81.56844       26.41250 19.93747 8.514377 35.19614 7.864977 -15.25867      11.59105 
1 1 1 -30 18 2  o 61.32718 4.064128 200.5182       24.25882 119.1160       35.64260 270.7691       33.11138 40.95584 9.124646 70.09692 4.855844 -29.14109      10.33627 
1 1 1 -30 18 3  o 44.89698 5.283439 113.8332       22.77483 91.82000       39.94720 124.4341       27.72147 32.59028 10.77231 45.64903 6.377950 -13.05875      12.51882 
1 1 1 -30 18 4  f 11.33209 5.511205 -24.56817      19.44810 -74.15000      35.48292 -3.277221      23.25175 12.74349 6.403711 15.03389 6.908329 -2.290397      9.419794 
1 1 1 -30 18 5  o 35.02816 8.073674 82.10072       27.11409 0.000000       0.000000 82.10072       27.11409 ?        ?        35.02816 8.073674 ?              ?        
1 1 1 -30 18 6  o 47.93892 6.601496 138.9042       30.15524 0.000000       0.000000 138.9042       30.15524 ?        ?        47.93892 6.601496 ?              ?        
1 1 1 -30 18 7  o 43.88850 6.407274 115.3583       26.71381 7.195000       61.70860 140.3035       29.63457 21.06725 10.14084 48.43220 6.408220 -27.36494      11.99591 
1 1 1 -30 18 8  o 21.94713 9.039764 32.94989       31.33215 -9.841000      54.66082 53.89000       38.23753 19.44820 9.406511 25.35706 10.15289 -5.908863      13.84065 
1 1 1 -30 18 9  o 20.42816 8.069065 26.36351       23.83697 -50.52000      53.10776 45.75994       26.67487 17.03152 8.442222 24.94885 8.789231 -7.917332      12.18695 
1 1 1 -30 18 10 o 14.23288 6.648448 -8.235015      22.90389 1.338000       51.81601 -10.55963      25.53378 19.78531 9.462494 14.65493 6.900655 5.130388       11.71144 
1 1 1 -30 18 11 o 19.19114 7.882714 21.24739       23.73876 19.46000       53.40620 21.68749       26.50061 21.12539 9.957448 19.49764 8.194137 1.627758       12.89553 
1 1 1 -30 18 12 o 34.72266 7.747785 80.06890       25.66369 102.0000       55.51792 74.10905       28.94147 29.57364 12.09056 31.65690 8.945950 -2.083256      15.04033 
1 1 1 -30 18 13 o 20.01601 7.645701 25.83327       20.85288 -15.41834      31.31545 58.69780       27.95130 15.38062 7.355986 27.67899 9.003186 -12.29836      11.62617 
1 1 1 -30 18 14 o 27.36880 7.763664 51.58546       21.75513 28.41416       32.12635 71.21020       29.56570 20.71995 8.876393 30.35289 9.175650 -9.632936      12.76648 
1 1 1 -30 18 15 o 12.29805 5.900405 -17.34114      20.50307 -18.43547      29.98636 -16.38035      28.09718 14.72672 7.083748 14.48515 6.938457 0.2415705      9.915729 
1 1 1 -30 18 16 o 30.70113 7.446020 62.80363       22.14335 41.63379       31.01424 84.81628       31.62557 22.95981 9.160298 32.99233 9.361219 -10.03253      13.09746 
1 1 1 -30 18 17 o 23.97068 8.051583 41.51633       22.29955 15.94688       32.06036 65.47977       31.03719 18.74417 8.412572 28.12289 9.499104 -9.378719      12.68875 
1 1 1 -30 18 18 o 34.42373 6.960149 76.10150       22.64501 77.08787       32.09628 75.12387       31.95396 30.53660 9.618789 30.09521 9.611788 0.4413948      13.59807 
1 1 1 -30 18 19 o 15.14342 6.825608 2.869467       21.36048 -17.72038      30.50163 22.68584       29.92323 14.81120 7.129479 19.46740 8.453911 -4.656198      11.05885 
1 1 1 -30 18 20 o 22.88362 7.977973 37.66960       21.94092 25.56651       30.69565 50.31335       31.37376 19.98996 8.621452 24.51060 9.374310 -4.520643      12.73606 
1 1 1 -30 18 21 o 11.35752 5.585092 -30.96974      21.68325 -2.924108      30.77439 -58.61919      30.55626 16.28102 7.637814 12.08033 6.052423 4.200697       9.745153 
1 1 1 -30 18 22 o 20.03127 8.326841 27.39314       26.92235 27.25000       52.99102 27.44295       31.25691 20.80609 9.840624 20.13763 8.692611 0.6684589      13.13009 
1 1 1 -30 18 23 o 26.61802 10.01215 65.61327       35.43179 64.30000       54.57718 66.57000       46.58319 23.95011 10.84174 24.91491 10.68135 -0.9648018     15.21955 
1 1 1 -30 18 24 o 20.13623 8.933615 27.13739       35.07795 49.39000       55.41576 12.26000       45.31126 22.46515 10.44269 19.17415 9.077935 3.290998       13.83686 
1 1 1 -30 18 25 o 18.84661 8.137589 21.12544       27.40776 54.85000       54.22712 9.554477       31.76348 22.91462 10.53711 17.64029 8.094336 5.274330       13.28717 
1 1 1 -30 18 26 f 22.69128 9.109081 42.88602       30.86246 0.000000       0.000000 42.88602       30.86246 ?        ?        22.69128 9.109081 ?              ?        
1 1 1 -30 18 27 o 15.31877 7.289836 -9.189799      29.96197 0.000000       0.000000 -9.189799      29.96197 ?        ?        15.31877 7.289836 ?              ?        
1 1 1 -30 18 28 o 24.21287 8.845081 48.31059       27.28647 26.14000       53.36222 56.16001       31.75150 20.35007 9.696619 25.05422 9.466077 -4.704145      13.55105 
1 1 1 -30 18 29 o 14.03539 6.880618 -28.81932      32.11391 -17.19000      49.70879 -37.15000      42.07231 17.30640 8.499658 15.27225 7.560207 2.034151       11.37545 
1 1 1 -30 18 30 o 17.13117 7.671041 12.01407       26.49128 63.62000       52.70893 -5.427495      30.64270 23.34600 10.60249 15.67761 7.435063 7.668389       12.94963 
1 1 1 -30 18 31 o 13.31089 6.301439 -9.246391      21.82376 -33.97136      30.66801 16.11909       31.06270 13.29452 6.557713 18.01217 8.163933 -4.717644      10.47155 
1 1 1 -30 18 32 o 17.10675 7.365822 16.05416       22.33451 0.1951983      30.79602 33.65101       32.43955 16.04008 7.560751 20.34276 8.818294 -4.302681      11.61582 
1 1 1 -30 18 33 o 18.47197 7.991447 23.23744       26.53492 -10.31796      31.68710 102.0000       48.54686 15.06683 7.256122 27.45880 11.27501 -12.39197      13.40810 
1 1 1 -30 18 34 o 16.70007 7.562551 12.88720       26.58419 9.162470       31.80632 21.52000       48.42192 16.76140 7.831251 18.76092 9.018437 -1.999519      11.94407 
1 1 1 -30 18 35 o 16.86963 7.595916 14.63050       26.37693 26.95664       31.87614 -12.14000      46.97646 18.82516 8.423211 16.53239 8.147453 2.292772       11.71885 
1 1 1 -30 19 1  o 21.71386 8.331476 32.04931       24.83529 -2.579000      34.84085 67.82000       35.41089 17.43068 8.160962 28.40021 10.11501 -10.96953      12.99672 
1 1 1 -30 19 2  o 27.57730 8.730271 55.56939       26.41007 38.86000       37.44464 72.11000       37.25505 22.83240 9.675249 28.88948 10.36527 -6.057089      14.17918 
1 1 1 -30 19 3  o 26.81340 7.648479 48.15023       21.05606 45.74000       35.87723 49.41661       26.00590 23.98061 9.751156 25.96984 8.694651 -1.989227      13.06453 
1 1 1 -30 19 4  o 25.37881 7.879272 44.15479       21.61789 13.65000       39.74353 56.97237       25.76234 19.70159 9.045361 28.10839 8.579187 -8.406794      12.46680 
1 1 1 -30 19 5  o 28.70838 7.289423 53.57500       20.51776 13.45868       31.81989 82.12502       26.84363 18.79289 8.411760 34.93533 8.019866 -16.14243      11.62222 
1 1 1 -30 19 6  o 31.68938 7.038711 63.76753       21.26504 14.95595       32.99724 98.43942       27.81026 19.08646 8.552848 38.93944 7.569121 -19.85298      11.42116 
1 1 1 -30 19 7  o 46.63884 6.010338 128.5042       26.80081 44.79000       57.34310 151.9018       30.31565 23.22962 10.73693 50.33857 6.289477 -27.10895      12.44344 
1 1 1 -30 19 8  o 32.31553 8.634283 74.93971       27.83141 0.000000       0.000000 74.93971       27.83141 ?        ?        32.31553 8.634283 ?              ?        
1 1 1 -30 19 9  o 32.17043 8.058647 71.10234       25.31973 93.10000       52.98944 64.59389       28.82304 28.68275 11.77882 29.02285 9.111435 -0.3401012     14.89157 
1 1 1 -30 19 10 o 18.44323 8.255354 13.33267       30.64865 -1.528000      48.91130 22.94000       39.32705 19.01074 9.119019 20.40454 9.223215 -1.393799      12.97013 
1 1 1 -30 19 11 o 18.14090 7.737912 16.62253       24.22345 -49.30000      50.64883 36.17328       27.58253 16.41716 8.155982 22.15532 8.701723 -5.738152      11.92644 
1 1 1 -30 19 12 o 31.88258 8.342569 72.51949       26.33098 38.09000       54.73827 82.88472       30.03413 22.14239 10.32154 33.18010 9.015007 -11.03770      13.70418 
1 1 1 -30 19 13 o 19.87399 8.126546 25.59528       25.08711 -17.85000      54.19838 37.44175       28.30151 18.32741 8.975141 22.27258 8.793953 -3.945164      12.56530 
1 1 1 -30 19 14 o 35.07869 8.037890 84.87063       27.00605 42.21000       55.23151 98.27473       30.95938 22.42054 10.42309 36.82891 8.723268 -14.40838      13.59177 
1 1 1 -30 19 15 o 22.60410 8.546526 38.55022       25.89312 21.79000       52.70836 43.88155       29.72745 20.62169 9.771420 23.37845 9.076408 -2.756760      13.33648 
1 1 1 -30 19 16 o 15.63521 7.217175 -0.2474351     25.78503 -22.82000      53.24798 6.667060       29.47087 17.80338 8.754347 17.14724 7.841325 0.6561394      11.75266 
1 1 1 -30 19 17 o 16.20169 7.394396 3.732406       26.03999 -35.53000      53.07692 16.17847       29.88362 17.14528 8.488158 18.46421 8.215611 -1.318928      11.81292 
1 1 1 -30 19 18 f 15.11735 7.058991 -4.519042      25.78096 -73.71000      52.11943 17.89486       29.66427 15.42146 7.750984 18.70933 8.262041 -3.287873      11.32868 
1 1 1 -30 19 19 o 14.81558 6.979963 -7.929923      26.18555 -29.75000      52.84627 -0.8291433     30.14666 17.41883 8.595140 16.38230 7.644249 1.036535       11.50265 
1 1 1 -30 19 20 o 13.03279 6.359679 -27.07127      26.51130 -37.93000      52.69149 -23.39060      30.67714 16.90287 8.383790 14.31394 6.952278 2.588929       10.89138 
1 1 1 -30 19 21 o 17.28019 7.752297 10.95094       27.19408 41.86000       53.56852 0.2199195      31.56365 21.87740 10.20223 16.59972 7.770538 5.277679       12.82446 
1 1 1 -30 19 22 o 15.51223 7.508437 -18.40311      34.99228 -24.48000      53.43340 -13.84000      46.30227 17.58537 8.670766 17.42381 8.480592 0.1615582      12.12859 
1 1 1 -30 19 23 o 16.32815 7.788985 -7.004777      34.63284 16.49000       53.76249 -23.67000      45.27925 19.88890 9.545582 16.63265 8.157226 3.256254       12.55621 
1 1 1 -30 19 24 f 16.73263 7.590720 7.696543       26.92622 -5.128000      53.54681 12.03689       31.15121 18.53588 9.043570 17.84319 8.121941 0.6926937      12.15533 
1 1 1 -30 19 25 o 23.35197 9.247530 46.88131       31.38158 0.000000       0.000000 46.88131       31.38158 ?        ?        23.35197 9.247530 ?              ?        
1 1 1 -30 19 26 o 18.69989 8.280526 19.58217       29.99500 0.000000       0.000000 19.58217       29.99500 ?        ?        18.69989 8.280526 ?              ?        
1 1 1 -30 19 27 o 11.77704 5.840809 -39.04191      25.55032 -70.37000      50.46161 -28.24129      29.62910 15.01057 7.555314 13.55213 6.636499 1.458445       10.05614 
1 1 1 -30 19 28 o 16.90911 7.652766 10.02377       27.17501 -24.14000      52.78579 22.34362       31.69837 17.20607 8.508591 19.01200 8.460246 -1.805927      11.99883 
1 1 1 -30 19 29 o 22.96753 8.185810 40.73654       23.19531 22.50463       32.67971 59.24649       32.92795 19.07825 8.533147 25.25098 9.616759 -6.172731      12.85678 
1 1 1 -30 19 30 o 14.23380 6.588857 -1.529921      21.71413 -12.15682      31.22984 8.415731       30.21226 15.01841 7.225354 16.93252 7.814662 -1.914115      10.64306 
1 1 1 -30 19 31 o 15.55875 6.998224 7.191175       22.32208 17.05905       31.88598 -2.292879      31.25972 18.01195 8.205892 15.82890 7.507610 2.183050       11.12209 
1 1 1 -30 19 32 o 17.56041 7.524784 19.12198       23.09842 29.17602       32.78419 9.211501       32.54928 19.41392 8.623565 16.99591 7.934686 2.418007       11.71858 
1 1 1 -30 19 33 o 21.48148 8.544408 40.70246       26.90330 31.66304       32.77604 59.37000       47.10095 19.50341 8.645109 21.92257 9.982009 -2.419159      13.20524 
1 1 1 -30 19 34 o 19.41110 8.200518 30.44862       26.76472 24.20379       32.44095 43.76000       47.36361 18.44409 8.353064 20.33420 9.518712 -1.890110      12.66410 
1 1 1 -30 20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -30 20 2  o 32.78408 8.592487 77.24007       27.90237 17.65000       40.37850 131.7000       38.60128 19.89685 9.128466 41.62470 9.660847 -21.72785      13.29138 
1 1 1 -30 20 3  o 19.07017 7.809856 21.53260       23.21437 37.81818       31.44379 2.021000       34.41753 22.39338 9.120208 17.59423 8.195756 4.799152       12.26167 
1 1 1 -30 20 4  o 16.49040 7.250740 8.531896       22.61652 4.956154       29.50035 13.63000       35.22480 17.16492 7.847833 18.96475 8.634095 -1.799829      11.66774 
1 1 1 -30 20 5  o 31.43233 7.050957 63.49583       21.15814 32.88271       32.35656 86.36408       27.96566 21.46505 9.039600 35.25171 8.251438 -13.78666      12.23931 
1 1 1 -30 20 6  o 31.15747 7.198730 63.20748       21.51318 36.83038       33.07118 82.55768       28.32558 22.07567 9.206933 33.96383 8.532431 -11.88816      12.55269 
1 1 1 -30 20 7  o 18.63980 7.469045 20.78460       20.71020 -29.89760      31.62738 58.82981       27.40221 14.17869 6.924801 27.63538 8.908317 -13.45669      11.28322 
1 1 1 -30 20 8  o 14.10561 6.461659 -2.228282      20.12859 -26.48035      30.89113 15.66636       26.53511 14.25029 6.933926 18.16594 7.923837 -3.915647      10.52932 
1 1 1 -30 20 9  o 14.46347 6.588124 -0.5175028     20.54147 -40.01663      31.49222 28.73225       27.10008 13.42018 6.624496 20.51530 8.424003 -7.095116      10.71671 
1 1 1 -30 20 10 o 22.34995 8.767977 37.88116       27.97632 0.000000       0.000000 37.88116       27.97632 ?        ?        22.34995 8.767977 ?              ?        
1 1 1 -30 20 11 o 15.73918 7.492421 -10.61262      31.70451 13.97000       49.56168 -27.64000      41.24827 19.93551 9.454754 16.09072 7.869235 3.844793       12.30111 
1 1 1 -30 20 12 o 18.86414 8.004428 20.70319       25.68675 -5.371000      51.91035 29.15775       29.55931 18.70909 9.076917 20.54079 8.644602 -1.831694      12.53473 
1 1 1 -30 20 13 o 14.35348 6.779242 -9.475056      24.98525 18.32000       53.16913 -17.35242      28.30519 20.29571 9.673050 14.34422 6.895273 5.951486       11.87909 
1 1 1 -30 20 14 o 37.64933 7.803701 96.56982       27.81297 133.0000       56.90144 85.13372       31.88097 32.12054 12.53270 32.53974 9.451698 -0.4192009     15.69723 
1 1 1 -30 20 15 o 19.81433 8.226014 26.01615       26.22616 -10.67000      54.75936 36.93594       29.87543 18.55163 9.071510 21.85864 8.894542 -3.307005      12.70453 
1 1 1 -30 20 16 o 34.04785 8.498578 84.11877       28.23259 50.77000       56.41064 95.26372       32.61070 22.84319 10.59006 34.91767 9.353769 -12.07447      14.12948 
1 1 1 -30 20 17 o 21.90546 8.613663 36.27179       27.05447 -48.64000      54.89218 63.51645       31.09332 16.75036 8.349066 27.42607 9.500992 -10.67571      12.64815 
1 1 1 -30 20 18 o 19.69703 8.287510 25.65573       27.15732 30.86000       54.84251 23.96501       31.25892 21.09303 9.986647 19.58839 8.571074 1.504648       13.16041 
1 1 1 -30 20 19 o 25.83069 9.085849 55.13209       28.49769 48.55000       56.32720 57.39650       33.03798 22.33755 10.43162 25.31987 9.635239 -2.982313      14.20058 
1 1 1 -30 20 20 o 18.04347 7.987840 15.69034       27.89484 -24.73000      53.96424 30.42872       32.58599 17.59201 8.681530 20.53669 8.870227 -2.944681      12.41168 
1 1 1 -30 20 21 o 18.25499 8.447076 11.71353       35.63894 -18.65000      54.16107 34.90000       47.32912 17.85008 8.787447 21.12928 9.762003 -3.279192      13.13453 
1 1 1 -30 20 22 o 18.39769 8.104524 18.24224       28.37920 30.92000       56.66338 13.99739       32.78782 20.89688 9.966885 18.21851 8.308135 2.678375       12.97551 
1 1 1 -30 20 23 o 31.79633 8.931581 78.84147       28.93844 64.92000       57.53889 83.55515       33.48104 23.46808 10.81425 30.98018 9.832472 -7.512098      14.61593 
1 1 1 -30 20 24 o 20.17538 8.723450 29.11029       31.58302 0.000000       0.000000 29.11029       31.58302 ?        ?        20.17538 8.723450 ?              ?        
1 1 1 -30 20 25 o 13.99564 6.725782 -15.72861      26.88649 -106.2000      57.48194 9.607665       30.41916 14.82144 7.527642 17.35640 7.948069 -2.534956      10.94702 
1 1 1 -30 20 26 o 25.52243 9.807049 62.34124       34.44572 85.72000       56.13252 48.22000       43.62548 25.10181 11.20846 22.20723 9.900874 2.894587       14.95516 
1 1 1 -30 20 27 o 17.98961 7.940947 17.58470       27.37649 -18.14000      55.35044 29.15445       31.49913 17.66924 8.733093 19.93722 8.665657 -2.267981      12.30287 
1 1 1 -30 20 28 o 17.23602 7.740680 12.67560       27.19207 -1.804000      53.50597 17.71749       31.57333 18.36105 8.975920 18.32563 8.275645 0.3541756E-01  12.20874 
1 1 1 -30 20 29 o 13.16041 6.278716 -11.72661      22.51997 5.467076       32.11488 -28.36052      31.58777 16.77456 7.847747 13.80234 6.778079 2.972213       10.36964 
1 1 1 -30 20 30 o 15.65639 7.023583 8.050838       22.31978 6.820993       31.94546 9.223782       31.19769 16.79209 7.846499 16.97281 7.870968 -0.1807232     11.11394 
1 1 1 -30 20 31 o 21.31579 8.007483 36.38681       22.64792 59.18779       32.74124 15.46731       31.36130 24.31601 9.501170 17.53684 8.045410 6.779163       12.44993 
1 1 1 -30 20 32 o 12.22081 5.915086 -16.76390      21.71222 -28.60714      30.26521 -4.205167      31.16604 13.25194 6.532482 15.30564 7.325060 -2.053699      9.814775 
1 1 1 -30 20 33 o 14.57277 6.875826 -2.284456      25.58246 2.825705       30.61103 -14.12000      46.58593 15.85849 7.494186 16.32339 8.057490 -0.4648981     11.00391 
1 1 1 -30 21 1  o 19.86517 8.756244 23.52296       33.17359 23.52296       33.17359 0.000000       0.000000 19.86517 8.756244 ?        ?        ?              ?        
1 1 1 -30 21 2  o 53.84849 4.739222 161.7935       24.72507 87.18714       36.68913 223.8666       33.46581 31.35638 10.32187 61.96819 5.576894 -30.61181      11.73212 
1 1 1 -30 21 3  o 21.51045 8.212043 33.12252       24.04803 24.74195       31.07233 45.64000       37.97483 19.92614 8.634105 23.09933 9.763823 -3.173187      13.03380 
1 1 1 -30 21 4  o 35.52711 7.729468 85.16978       26.11308 58.44875       33.14452 128.9000       42.40098 25.98137 9.701996 38.28820 10.83098 -12.30683      14.54094 
1 1 1 -30 21 5  o 17.61721 7.598207 14.64541       23.84235 15.95629       30.63001 12.63000       37.97940 18.59223 8.292205 18.90522 8.738111 -0.3129845     12.04638 
1 1 1 -30 21 6  o 27.94739 8.395087 57.52079       24.80621 48.52010       31.77821 71.56000       39.68834 24.12257 9.378963 27.18960 10.50607 -3.067036      14.08341 
1 1 1 -30 21 7  o 27.66743 8.403593 56.62518       24.75881 43.05894       31.85964 77.31000       39.34023 23.00769 9.248497 28.30370 10.56981 -5.296007      14.04477 
1 1 1 -30 21 8  o 19.76987 7.672800 25.94821       21.23849 14.07083       31.82994 35.48005       28.51437 18.38841 8.306111 21.69374 8.739272 -3.305334      12.05680 
1 1 1 -30 21 9  o 24.22251 7.935586 42.35797       21.69642 1.876499       32.43865 75.12669       29.18532 17.01018 7.934673 31.09275 9.046737 -14.08256      12.03339 
1 1 1 -30 21 10 o 28.44917 7.771955 56.64331       22.25138 7.565850       32.97039 97.69496       30.15424 17.67747 8.160290 36.73766 8.546998 -19.06019      11.81700 
1 1 1 -30 21 11 o 24.44919 7.976528 43.49540       21.93154 26.47413       33.11811 56.79010       29.26906 20.07367 8.801802 26.19629 9.208518 -6.122620      12.73847 
1 1 1 -30 21 12 o 13.21752 6.237118 -10.06634      21.06176 -32.88718      31.31840 8.776609       28.45825 13.76527 6.757700 17.21909 7.808339 -3.453824      10.32650 
1 1 1 -30 21 13 f 19.17342 8.645149 19.06223       34.30201 3.813000       54.74290 28.92000       44.01422 19.36173 9.376416 20.75352 9.524858 -1.391787      13.36563 
1 1 1 -30 21 14 o 19.23047 8.110006 22.98272       26.10292 -29.12000      55.91124 37.50425       29.51720 17.70983 8.757551 21.97680 8.878004 -4.266979      12.47051 
1 1 1 -30 21 15 o 18.17613 7.890461 17.11020       26.04902 -1.970000      54.27296 22.82121       29.69265 18.97398 9.222905 19.38451 8.419566 -0.4105301     12.48804 
1 1 1 -30 21 16 f 14.87535 6.996765 -6.352394      26.12247 -53.91000      54.72500 7.681482       29.72792 16.37687 8.189483 17.17273 7.861440 -0.7958584     11.35209 
1 1 1 -30 21 17 o 19.01298 8.151480 22.36949       27.13226 9.481000       55.93014 26.33601       31.02769 19.55144 9.470494 19.82279 8.608376 -0.2713490     12.79822 
1 1 1 -30 21 18 f 20.54862 8.514839 30.74689       28.02634 11.46000       55.86647 37.23322       32.39811 19.68569 9.518543 21.58408 9.064894 -1.898384      13.14439 
1 1 1 -30 21 19 o 23.12762 9.691906 49.02049       36.91022 10.79000       55.74792 78.86000       49.25151 19.56386 9.471381 25.80662 11.02136 -6.242758      14.53195 
1 1 1 -30 21 20 o 18.39950 8.520740 13.03948       36.37094 32.40000       57.64034 0.2312000      46.88279 20.95401 10.01017 18.24346 8.796062 2.710545       13.32570 
1 1 1 -30 21 21 o 15.67773 7.295954 -0.5324097     27.17121 17.91000       54.98629 -6.490512      31.25356 19.92371 9.585837 15.77047 7.487716 4.153243       12.16364 
1 1 1 -30 21 22 o 13.72759 6.624787 -18.32950      26.74073 -80.29000      57.07968 -0.9069722     30.26771 15.56440 7.859053 16.14251 7.573419 -0.5781050     10.91427 
1 1 1 -30 21 23 o 20.57625 8.800933 32.04730       31.49154 0.000000       0.000000 32.04730       31.49154 ?        ?        20.57625 8.800933 ?              ?        
1 1 1 -30 21 24 o 17.53345 7.814307 14.43078       27.14997 -38.03000      56.56379 30.13531       30.94808 16.94367 8.450142 20.14200 8.671656 -3.198332      12.10795 
1 1 1 -30 21 25 o 20.77088 9.025029 35.01929       34.14251 20.53000       55.36683 43.91000       43.37047 19.76812 9.538068 21.63445 9.740867 -1.866329      13.63302 
1 1 1 -30 21 26 o 15.18805 7.159854 -4.271292      27.62933 -80.88000      54.83901 21.79073       31.98561 15.11690 7.641399 18.87070 8.441052 -3.753791      11.38606 
1 1 1 -30 21 27 o 35.60555 8.537192 95.62334       29.36809 85.84000       59.22448 98.81343       33.81892 24.39333 11.14008 33.92122 9.698762 -9.527887      14.77049 
1 1 1 -30 21 28 o 21.43508 8.670965 38.88121       28.19955 19.18000       56.31024 45.47597       32.57919 19.33890 9.398943 22.18397 9.185364 -2.845066      13.14196 
1 1 1 -30 21 29 o 13.92541 6.533350 -4.263313      22.52668 -33.02363      32.19651 23.31690       31.52905 13.50384 6.671795 18.64401 8.357048 -5.140172      10.69360 
1 1 1 -30 21 30 o 17.64350 7.505108 20.26744       22.67838 45.14429       32.79103 -2.541286      31.39843 21.63726 9.105412 15.58129 7.428159 6.055976       11.75100 
1 1 1 -30 21 31 o 13.60178 6.395473 -4.006646      21.79162 -9.269570      31.16581 1.027734       30.48160 14.81101 7.148705 15.64268 7.417621 -0.8316698     10.30170 
1 1 1 -30 21 32 o 16.06962 7.154547 12.56800       22.69872 -6.772411      31.26837 34.11446       33.00353 14.98691 7.215193 19.57675 8.676470 -4.589846      11.28451 
1 1 1 -30 22 1  o 43.42284 5.588914 111.0482       23.20457 58.15866       35.21173 151.6497       30.85133 25.24748 9.856588 49.32622 6.551705 -24.07874      11.83542 
1 1 1 -30 22 2  o 38.43267 6.335486 91.15737       23.00370 14.70767       34.88395 149.9821       30.59974 18.67359 8.536209 49.08189 6.531236 -30.40830      10.74821 
1 1 1 -30 22 3  o 33.03884 7.238284 72.14251       22.75951 18.87282       33.78404 116.4077       30.79660 19.07888 8.593099 41.21917 7.920776 -22.14030      11.68675 
1 1 1 -30 22 4  o 55.39286 4.689976 171.6581       25.19031 104.0267       35.58905 239.5595       35.66002 35.45985 9.884721 63.44548 5.806460 -27.98563      11.46397 
1 1 1 -30 22 5  o 39.16252 7.247140 100.5619       26.75778 60.28858       33.69669 169.3000       44.02279 25.90761 9.759823 45.81910 10.08924 -19.91148      14.03734 
1 1 1 -30 22 6  o 14.07626 6.628785 -8.416809      23.57118 -49.69293      30.13394 56.65000       37.83435 12.41123 6.186223 24.52884 9.998812 -12.11761      11.75779 
1 1 1 -30 22 7  o 16.73579 7.392296 10.34950       23.76110 22.97684       30.28245 -9.879000      38.32808 19.40552 8.464700 16.73281 8.038361 2.672709       11.67332 
1 1 1 -30 22 8  o 21.39286 8.197376 33.45947       24.02058 25.45329       31.02013 45.45000       37.96210 19.81870 8.606957 22.75901 9.696617 -2.940306      12.96550 
1 1 1 -30 22 9  o 23.48383 8.409895 42.02332       24.51229 43.33418       31.59085 40.04000       38.85789 22.87967 9.205089 21.96959 9.585780 0.9100838      13.28988 
1 1 1 -30 22 10 o 25.87816 8.522724 51.22233       25.01257 4.501147       31.66859 128.7000       40.78121 17.14463 7.943532 38.65060 10.50627 -21.50597      13.17124 
1 1 1 -30 22 11 o 15.61916 6.934517 6.361329       21.17308 6.628239       31.66683 6.145535       28.47359 17.38140 8.014211 16.86862 7.711489 0.5127792      11.12181 
1 1 1 -30 22 12 o 18.98462 7.573243 23.05816       21.19554 23.76884       30.85215 22.42292       29.16869 19.55693 8.537104 19.25641 8.354569 0.3005238      11.94491 
1 1 1 -30 22 13 o 22.43640 8.230665 37.90267       23.66534 50.38000       37.91864 29.94174       30.28823 23.35966 9.808488 20.41732 8.678768 2.942341       13.09685 
1 1 1 -30 22 14 o 28.65105 7.902629 58.79602       22.88029 20.80580       32.79694 94.81673       31.93548 19.09463 8.543878 34.67731 9.241661 -15.58269      12.58595 
1 1 1 -30 22 15 o 17.39487 7.720850 13.06781       26.22982 -10.50256      31.83434 62.90000       46.28792 15.53123 7.424940 24.18053 10.50743 -8.649298      12.86607 
1 1 1 -30 22 16 o 12.09364 5.862329 -21.15585      21.53250 -16.99089      30.92266 -25.07632      30.00134 14.79936 7.137529 13.95439 6.799654 0.8449736      9.857973 
1 1 1 -30 22 17 o 12.25559 6.071044 -39.37654      27.30292 -26.13000      55.26346 -43.65386      31.40311 17.50288 8.664488 12.97970 6.443810 4.523184       10.79796 
1 1 1 -30 22 18 o 18.93133 8.709378 17.87341       37.10518 -55.32000      57.15342 71.20000       48.78408 16.44855 8.246192 24.75585 10.77190 -8.307306      13.56589 
1 1 1 -30 22 19 o 17.27642 8.180980 1.402649       36.83204 59.58000       57.25516 -39.67000      48.10764 22.90779 10.63687 16.04919 7.969022 6.858601       13.29091 
1 1 1 -30 22 20 o 21.01049 8.568968 34.06087       27.80440 -33.42000      57.47556 54.67790       31.76917 17.31987 8.618355 24.70410 9.436921 -7.384228      12.78012 
1 1 1 -30 22 21 o 25.22407 9.527047 57.64341       32.15564 0.000000       0.000000 57.64341       32.15564 ?        ?        25.22407 9.527047 ?              ?        
1 1 1 -30 22 22 o 19.39056 8.541313 25.05256       31.51552 0.000000       0.000000 25.05256       31.51552 ?        ?        19.39056 8.541313 ?              ?        
1 1 1 -30 22 23 o 27.08853 9.965360 71.09262       34.73141 43.64000       57.50229 86.86000       43.57856 21.27853 10.11825 27.48586 10.89335 -6.207323      14.86755 
1 1 1 -30 22 24 o 16.99174 7.699867 10.96002       27.61472 43.10000       56.53826 0.8905682      31.64628 21.18900 10.06345 16.34380 7.691700 4.845209       12.66630 
1 1 1 -30 22 25 o 16.87198 7.693863 9.588122       28.11605 -9.005000      56.30531 15.76437       32.45156 18.09731 8.918897 18.08458 8.254098 0.1273727E-01  12.15224 
1 1 1 -30 22 26 o 22.35189 8.861369 43.60668       28.84547 30.41000       57.69732 48.00428       33.30666 20.08506 9.702265 22.58617 9.313364 -2.501110      13.44889 
1 1 1 -30 22 27 o 16.40108 7.195391 12.79035       22.15973 23.49023       31.54333 2.363834       31.13778 18.72594 8.378948 16.20201 7.626424 2.523937       11.33001 
1 1 1 -30 22 28 o 14.88094 6.794332 4.041454       22.01362 8.813773       30.91422 -0.8677298     31.35438 16.73654 7.786529 15.79399 7.499144 0.9425554      10.81051 
1 1 1 -30 22 29 o 13.28027 6.306385 -7.933842      22.18706 14.53131       31.19524 -30.93101      31.56246 17.25046 7.954008 13.36804 6.604900 3.882420       10.33881 
1 1 1 -30 22 30 o 14.67345 6.750209 3.777405       22.28540 -9.012968      31.26959 16.97959       31.76899 14.78750 7.143075 17.38250 8.019162 -2.595000      10.73920 
1 1 1 -30 22 31 o 19.47385 8.185154 32.38272       26.44768 21.81199       31.63376 56.93000       48.20588 17.82345 8.140451 20.96613 9.743780 -3.142683      12.69678 
1 1 1 -30 23 1  o 32.94687 7.314101 72.19945       22.97225 17.55301       35.50874 111.5344       30.12614 19.03953 8.668406 40.32196 7.915706 -21.28243      11.73881 
1 1 1 -30 23 2  o 27.43345 7.886989 53.63730       22.30501 11.07310       33.94817 85.96921       29.58760 18.14711 8.342032 33.75616 8.848602 -15.60905      12.16089 
1 1 1 -30 23 3  o 20.36710 7.813817 28.76944       21.84324 9.041657       33.06768 44.04120       29.09438 17.81461 8.205153 23.27489 8.994760 -5.460287      12.17498 
1 1 1 -30 23 4  o 14.07180 6.509535 -3.559385      21.14230 -20.93887      31.30327 11.01860       28.66949 14.63472 7.087983 17.52115 7.901548 -2.886426      10.61480 
1 1 1 -30 23 5  o 26.85342 7.989799 52.09008       22.55101 15.49817       33.25729 83.23448       30.68204 18.59213 8.434978 32.47294 9.222757 -13.88081      12.49832 
1 1 1 -30 23 6  o 41.67185 5.834761 103.9585       23.14839 27.89411       33.57082 172.9069       31.96195 20.24799 8.870450 53.09684 6.270597 -32.84885      10.86302 
1 1 1 -30 23 7  o 26.14792 8.561941 52.68641       25.25803 44.63655       32.63030 64.72000       39.89554 22.97788 9.315607 25.53342 10.31905 -2.555542      13.90192 
1 1 1 -30 23 8  o 33.49758 8.030347 79.21815       25.98807 34.55294       33.00427 152.1000       42.15947 21.18101 9.033324 42.96083 10.18220 -21.77982      13.61169 
1 1 1 -30 23 9  o 17.83642 7.678192 16.94302       24.25803 -12.63594      30.98255 63.80000       38.99535 15.19880 7.281823 25.33527 10.21513 -10.13648      12.54487 
1 1 1 -30 23 10 o 16.12623 7.229530 7.396883       23.60472 -0.2591746     29.78717 20.32000       38.69993 16.17976 7.565740 19.36288 8.903043 -3.183119      11.68352 
1 1 1 -30 23 11 o 23.01197 8.467783 41.45770       25.07960 21.19777       31.78467 74.88000       40.82413 19.03406 8.470806 26.73966 10.56052 -7.705605      13.53806 
1 1 1 -30 23 12 o 26.34320 8.625655 54.55730       25.63542 67.62942       32.68432 33.66000       41.32487 27.45568 9.723908 20.88262 9.445477 6.573063       13.55623 
1 1 1 -30 23 13 o 20.54741 8.224437 30.79486       25.08287 -1.773607      32.06835 82.12000       40.25715 16.37447 7.717445 28.22287 10.65982 -11.84840      13.16019 
1 1 1 -30 23 14 o 15.12982 6.838460 3.661963       21.61486 -17.98540      30.90598 24.38773       30.24093 14.65929 7.086096 19.37293 8.454536 -4.713639      11.03141 
1 1 1 -30 23 15 o 15.12720 6.948461 1.097251       23.49073 28.68000       37.51889 -16.68682      30.12638 20.13969 9.064582 14.59290 7.039718 5.546789       11.47712 
1 1 1 -30 23 16 o 18.71161 8.022806 21.70554       26.28568 14.47087       31.46712 38.41000       47.81499 18.04430 8.193693 21.23691 9.811821 -3.192612      12.78313 
1 1 1 -30 23 17 o 11.27625 5.627282 -45.70446      25.25764 -50.46944      29.88811 -33.80000      47.24139 12.20304 6.094672 16.18704 8.012722 -3.983997      10.06721 
1 1 1 -30 23 18 o 20.76798 7.892358 31.55614       22.14818 6.290432       30.54155 59.58110       32.16606 16.91826 7.825426 25.58681 9.557104 -8.668549      12.35215 
1 1 1 -30 23 19 o 14.15956 6.556608 -2.539265      21.52795 -13.39138      30.27062 8.566748       30.62268 14.87278 7.144505 17.18401 7.907914 -2.311233      10.65735 
1 1 1 -30 23 20 f 17.65422 7.634019 17.11418       24.19131 6.995000       38.09404 23.95295       31.31651 17.76588 8.384843 19.18753 8.480399 -1.421648      11.92572 
1 1 1 -30 23 21 o 16.16379 7.149679 10.20443       22.30227 -7.057557      31.35067 27.89020       31.73317 15.52949 7.408754 19.66062 8.618382 -4.131127      11.36513 
1 1 1 -30 23 22 o 13.25086 6.379323 -16.01801      24.44145 -21.19356      30.71318 -7.080000      40.36147 14.20068 6.910722 16.74676 8.095804 -2.546076      10.64425 
1 1 1 -30 23 23 o 11.82801 5.772772 -23.80228      21.87094 -13.08131      30.63051 -34.95331      31.23883 14.84731 7.146266 13.33931 6.587039 1.508001       9.718961 
1 1 1 -30 23 24 o 14.81949 6.783735 2.283045       22.13132 -24.08446      30.94121 29.90430       31.66827 13.97332 6.829823 19.80745 8.647817 -5.834132      11.01958 
1 1 1 -30 23 25 o 10.56150 5.263225 -38.81900      21.76808 -31.48859      30.30719 -46.63031      31.28555 13.24751 6.531576 12.54086 6.259074 0.7066507      9.046408 
1 1 1 -30 23 26 o 22.78948 8.186251 42.32981       23.24535 11.18599       32.55210 74.73631       33.20543 17.18541 7.993593 27.54410 9.796542 -10.35869      12.64396 
1 1 1 -30 23 27 o 15.57115 7.001514 8.784731       22.32256 8.626263       31.24937 8.949850       31.89835 16.63745 7.769737 16.73607 7.826979 -0.9862328E-01 11.02862 
1 1 1 -30 23 28 o 11.12202 5.492308 -29.09542      21.72449 -8.095093      30.24054 -51.49168      31.22944 14.75384 7.101111 12.08115 6.062142 2.672694       9.336774 
1 1 1 -30 23 29 f 13.69739 6.428060 -2.839024      21.83112 -19.78497      30.53510 14.88035       31.22415 13.81304 6.758568 17.08244 7.905236 -3.269403      10.40053 
1 1 1 -30 24 1  o 29.38496 7.593077 60.14717       21.99549 26.00306       33.28970 86.60282       29.30294 19.75723 8.737311 33.71247 8.790707 -13.95525      12.39424 
1 1 1 -30 24 2  o 34.34130 6.958114 77.01112       22.58685 83.15018       34.21104 72.26740       30.07285 30.50942 9.962931 29.47493 9.314120 1.034485       13.63865 
1 1 1 -30 24 3  o 34.08033 7.176066 77.13132       23.18056 21.12819       34.38684 123.7781       31.38320 19.16073 8.646136 42.33460 7.862864 -23.17387      11.68676 
1 1 1 -30 24 4  o 34.06510 6.974487 75.95169       22.47210 61.82810       33.76936 87.17710       30.10589 25.84558 9.762868 33.43137 9.001355 -7.585793      13.27923 
1 1 1 -30 24 5  f 15.80657 6.980585 8.256061       21.17884 -2.618077      32.05136 16.68380       28.21659 16.25503 7.677627 18.08915 8.019596 -1.834124      11.10225 
1 1 1 -30 24 6  o 20.69483 7.839165 30.84733       21.80805 18.82491       32.48478 40.71114       29.42431 18.72969 8.431868 22.25854 8.908326 -3.528851      12.26600 
1 1 1 -30 24 7  o 27.37203 7.797349 53.75734       21.89822 30.65397       33.44714 71.09021       28.97053 20.40033 8.897370 29.58708 9.110350 -9.186754      12.73427 
1 1 1 -30 24 8  o 20.79956 7.820800 31.16384       21.61506 44.50956       32.18822 20.20308       29.17067 22.72592 9.237991 18.69897 8.227763 4.026955       12.37079 
1 1 1 -30 24 9  o 15.38185 6.892305 5.451892       21.42421 5.161688       31.13894 5.712748       29.52246 16.94074 7.858670 16.78131 7.737732 0.1594296      11.02865 
1 1 1 -30 24 10 o 29.94735 8.478844 68.04202       25.97303 74.64835       33.16271 57.56000       41.77273 28.77445 9.817778 23.73211 10.14315 5.042337       14.11638 
1 1 1 -30 24 11 o 36.05093 7.785908 90.54233       26.66987 85.98994       33.82763 98.02000       43.35461 31.16941 9.882107 29.92639 11.11147 1.243017       14.87013 
1 1 1 -30 24 12 o 29.23705 8.500846 65.53192       25.77753 73.32016       33.26184 53.82000       40.78879 28.34272 9.826287 23.23051 9.977709 5.112213       14.00395 
1 1 1 -30 24 13 o 18.16282 7.761520 19.47069       24.45169 12.42651       31.00467 31.06000       39.76864 17.70732 8.076571 20.39887 9.242391 -2.691551      12.27407 
1 1 1 -30 24 14 o 10.82174 5.403596 -44.37170      23.43716 -41.07093      29.35980 -50.17000      38.91309 12.61638 6.257776 14.07734 7.018769 -1.460964      9.403344 
1 1 1 -30 24 15 o 14.69283 7.082383 -15.48940      30.34978 -15.48940      30.34978 0.000000       0.000000 14.69283 7.082383 ?        ?        ?              ?        
1 1 1 -30 24 16 o 15.02854 7.229232 -13.47371      31.23828 -13.47371      31.23828 0.000000       0.000000 15.02854 7.229232 ?        ?        ?              ?        
1 1 1 -30 24 17 o 17.11662 7.738307 11.18404       27.69695 12.82000       37.43764 9.206000       41.16610 18.26914 8.522675 18.23843 8.640181 0.3071404E-01  12.13626 
1 1 1 -30 24 18 o 18.11906 8.141981 17.34940       30.13324 28.51000       37.14226 -4.142000      51.54147 19.85439 8.970009 18.02809 8.812392 1.826296       12.57455 
1 1 1 -30 24 19 o 14.12379 6.664141 -6.694439      24.03408 14.28000       35.71851 -24.04771      32.48919 18.12042 8.409641 14.32306 7.000300 3.797365       10.94195 
1 1 1 -30 24 20 o 14.08625 6.683727 -8.498293      24.82327 -32.34697      31.06212 33.65000       41.29419 13.44963 6.627633 20.34109 9.294289 -6.891461      11.41531 
1 1 1 -30 24 21 o 18.00353 8.022108 17.96277       28.59737 -3.953000      58.27666 24.91406       32.82079 18.37354 9.058592 19.18640 8.568628 -0.8128548     12.46914 
1 1 1 -30 24 22 o 13.34205 6.333299 -9.577849      22.33487 7.873399       30.92682 -28.60118      32.28979 16.87901 7.830662 13.91314 6.836595 2.965873       10.39511 
1 1 1 -30 24 23 o 21.52941 8.035803 36.71334       22.73251 17.24019       31.29399 58.46916       33.07734 17.87980 8.139353 24.32989 9.537101 -6.450096      12.53816 
1 1 1 -30 24 24 o 15.75742 7.028289 9.573251       22.00767 21.91652       30.47239 -3.884480      31.81832 18.34821 8.220795 15.60361 7.449545 2.744606       11.09402 
1 1 1 -30 24 25 o 10.70398 5.316112 -34.41794      21.45550 -47.88297      29.42723 -19.13659      31.34921 11.95426 5.981974 14.18066 6.918898 -2.226399      9.146319 
1 1 1 -30 24 26 o 19.25584 7.779235 28.86896       22.66441 6.341347       30.80738 55.44538       33.46149 16.22935 7.622539 23.00382 9.393382 -6.774467      12.09705 
1 1 1 -30 24 27 o 16.37110 7.226151 14.86109       22.66714 -32.41981      31.09121 68.50388       33.11695 13.03841 6.462306 25.25321 9.637866 -12.21479      11.60387 
1 1 1 -30 24 28 o 13.77708 6.458084 -1.935020      21.92829 8.426024       30.29073 -13.34412      31.78584 16.20003 7.592700 14.43552 7.026214 1.764515       10.34489 
1 1 1 -30 25 1  o 16.14193 7.029074 10.75136       20.80565 8.448487       32.42100 12.36375       27.12857 17.39616 8.052134 17.27288 7.746462 0.1232738      11.17338 
1 1 1 -30 25 2  f 18.16729 7.453231 20.52894       21.18990 9.556397       31.91511 29.17910       28.33705 17.46219 8.049342 20.04066 8.450721 -2.578468      11.67076 
1 1 1 -30 25 3  o 21.70123 7.971580 35.20913       22.21069 -21.31409      33.28054 80.60172       29.82424 14.80343 7.201720 31.60054 9.130747 -16.79711      11.62907 
1 1 1 -30 25 4  o 27.26986 7.889418 54.26819       22.25319 9.324347       32.99975 91.75085       30.13635 17.54210 8.121084 34.45736 8.879678 -16.91526      12.03332 
1 1 1 -30 25 5  o 15.37807 6.888003 5.877498       21.37554 13.67754       32.32439 -0.1841244     28.49550 17.96555 8.214261 15.85560 7.409493 2.109948       11.06231 
1 1 1 -30 25 6  f 18.94783 7.643740 24.02629       21.84676 3.690694       32.84314 40.16521       29.25859 16.90914 7.918960 22.01692 8.858503 -5.107782      11.88205 
1 1 1 -30 25 7  o 14.46616 6.646985 -0.2622071     21.52064 5.280393       32.45391 -4.612163      28.75098 17.02304 7.939298 15.41611 7.278429 1.606928       10.77070 
1 1 1 -30 25 8  o 16.28870 7.090260 11.38977       21.15227 14.81932       31.84442 8.681843       28.29654 18.04922 8.214200 16.88468 7.706882 1.164537       11.26362 
1 1 1 -30 25 9  o 16.73381 7.230500 13.40456       21.66869 -5.852505      32.22837 29.29147       29.27271 15.88099 7.558270 20.01637 8.521027 -4.135383      11.39014 
1 1 1 -30 25 10 o 27.16884 7.952931 54.35880       22.49465 10.77097       33.28298 91.01182       30.52069 17.70506 8.182198 33.99398 9.023252 -16.28893      12.18062 
1 1 1 -30 25 11 o 19.81285 7.773266 27.89478       21.99012 27.56698       32.44771 28.17322       29.90512 19.74811 8.683925 19.80124 8.524611 -0.5313683E-01 12.16879 
1 1 1 -30 25 12 o 22.02059 8.010753 36.77211       22.34803 7.594170       32.17422 63.97242       31.06474 17.19813 7.981571 26.73346 9.478787 -9.535334      12.39165 
1 1 1 -30 25 13 o 15.65051 7.460933 -6.992783      31.67110 -6.992783      31.67110 0.000000       0.000000 15.65051 7.460933 ?        ?        ?              ?        
1 1 1 -30 25 14 o 15.96279 7.601293 -5.163639      32.68556 -5.163639      32.68556 0.000000       0.000000 15.96279 7.601293 ?        ?        ?              ?        
1 1 1 -30 25 15 o 26.70570 8.857908 59.14859       27.00371 44.78843       34.35315 82.37000       43.68489 22.17822 9.325627 26.64314 10.78700 -4.464922      14.25927 
1 1 1 -30 25 16 o 14.69262 6.874970 -2.842860      24.66499 -15.42612      31.48424 17.15000       39.68570 14.77551 7.144658 18.63465 8.719881 -3.859141      11.27309 
1 1 1 -30 25 17 o 29.45255 9.216583 73.93110       29.51611 63.47000       39.92493 86.54000       43.83230 24.22962 10.11150 27.01632 10.85208 -2.786709      14.83274 
1 1 1 -30 25 18 o 16.02213 7.407230 4.542421       27.31428 -20.93000      36.25023 38.00000       41.54539 15.13665 7.397176 20.72861 9.413484 -5.591955      11.97213 
1 1 1 -30 25 19 o 47.41665 6.618148 145.0311       29.88093 87.82366       36.40223 263.2000       52.31829 29.77739 10.28186 56.81267 9.759660 -27.03528      14.17631 
1 1 1 -30 25 20 o 20.32407 8.844974 34.20927       32.90310 34.20927       32.90310 0.000000       0.000000 20.32407 8.844974 ?        ?        ?              ?        
1 1 1 -30 25 21 o 14.70862 6.919718 -2.877398      25.57278 -9.819259      31.11580 11.57000       44.88878 15.00422 7.216895 18.15492 8.715706 -3.150704      11.31579 
1 1 1 -30 25 22 o 17.75855 7.736772 19.87733       25.23182 28.91435       30.82517 1.528000       43.92411 19.30550 8.477493 17.28805 8.378535 2.017452       11.91922 
1 1 1 -30 25 23 o 11.86568 5.840152 -27.90741      23.88131 -37.81561      28.67421 -5.474000      43.14610 12.35297 6.136877 16.63218 8.115450 -4.279207      10.17457 
1 1 1 -30 25 24 o 11.35878 5.640069 -35.02163      24.09792 -32.08356      28.97716 -41.61000      43.39243 12.71885 6.292250 14.60057 7.299894 -1.881717      9.637472 
1 1 1 -30 25 25 o 15.84832 7.228058 9.949349       24.82569 12.46597       29.88510 4.346000       44.59331 16.66032 7.718260 17.04397 8.301746 -0.3836536     11.33537 
1 1 1 -30 25 26 o 16.16534 7.309317 12.49291       24.72195 11.29935       29.86731 15.09000       44.05728 16.48697 7.664692 17.68648 8.527356 -1.199512      11.46574 
1 1 1 -30 26 1  o 21.62999 7.850099 34.85205       21.44334 28.67054       32.33405 39.70520       28.65000 19.88114 8.707740 21.90580 8.782431 -2.024660      12.36753 
1 1 1 -30 26 2  o 14.61861 6.677780 1.341600       21.29822 -2.319921      32.39647 4.128766       28.26495 16.19841 7.671116 16.27010 7.526503 -0.7168961E-01 10.74683 
1 1 1 -30 26 3  o 31.57596 7.473732 69.00412       22.73817 48.89008       34.29392 84.78361       30.37484 22.98536 9.461350 32.28288 9.179038 -9.297522      13.18226 
1 1 1 -30 26 4  o 38.98379 6.377658 95.81499       23.49540 48.75748       34.98800 134.4645       31.70857 22.87386 9.499169 44.34600 7.576851 -21.47214      12.15084 
1 1 1 -30 26 5  o 17.98072 7.527071 19.76375       22.22706 -5.780320      33.00914 40.95361       30.06445 15.95668 7.609680 21.98829 8.931768 -6.031608      11.73387 
1 1 1 -30 26 6  o 33.67820 7.294115 76.96903       23.34803 40.11913       34.95991 106.6383       31.36934 21.49221 9.234297 37.55207 8.704353 -16.05985      12.69007 
1 1 1 -30 26 7  o 16.93967 7.280885 14.74206       21.74836 -8.543174      32.44395 33.74369       29.30819 15.61353 7.472766 20.69545 8.651970 -5.081917      11.43236 
1 1 1 -30 26 8  o 15.63523 7.006418 6.950310       22.14448 23.82305       33.42273 -6.252190      29.56495 19.20363 8.606396 15.33549 7.281606 3.868145       11.27350 
1 1 1 -30 26 9  o 20.79031 7.855282 32.04812       21.86525 20.23227       33.11231 41.18398       29.11600 18.71722 8.461577 22.09501 8.855182 -3.377790      12.24796 
1 1 1 -30 26 10 o 14.92817 6.755406 3.775037       21.16792 -15.76469      31.16552 20.50904       28.84131 14.75178 7.127135 18.48255 8.154918 -3.730771      10.83045 
1 1 1 -30 26 11 o 16.35845 7.420935 8.275512       25.73471 -9.770750      32.17521 40.32000       42.87503 15.40928 7.392703 21.12111 9.580339 -5.711830      12.10103 
1 1 1 -30 26 12 o 17.56883 7.801837 16.10455       26.81541 -9.020546      33.07928 64.26000       45.79573 15.56856 7.476105 23.54815 10.33701 -7.979583      12.75719 
1 1 1 -30 26 13 o 18.00183 7.944217 18.89141       27.38167 9.898058       33.57249 36.76000       47.32251 17.39053 8.098737 20.54067 9.582234 -3.150143      12.54626 
1 1 1 -30 26 14 o 16.18847 7.192891 10.50352       22.82494 8.263886       32.93546 12.57317       31.66092 17.13486 7.993617 17.48759 8.045155 -0.3527317     11.34118 
1 1 1 -30 26 15 o 17.90188 7.948103 18.29444       27.81596 33.98000       37.75649 -0.3246000     41.13581 20.25741 9.107457 17.18453 8.273840 3.072882       12.30456 
1 1 1 -30 26 16 o 22.95495 8.897320 46.26344       28.53005 48.78000       37.89362 42.97000       43.34975 22.21146 9.579331 21.16798 9.614085 1.043476       13.57182 
1 1 1 -30 26 17 o 18.86558 8.027589 24.83048       25.96068 -24.01592      31.62277 125.8000       45.46517 14.07282 6.884027 33.21282 11.48965 -19.14000      13.39410 
1 1 1 -30 26 18 o 17.25745 7.653902 16.01826       25.72709 -2.092214      31.56759 51.84000       44.39662 15.78182 7.502327 21.79197 9.829708 -6.010150      12.36560 
1 1 1 -30 26 19 o 18.12525 7.792516 22.01122       24.92472 27.58566       30.37447 10.52000       43.61053 19.12328 8.405792 17.91552 8.598140 1.207767       12.02437 
1 1 1 -30 26 20 o 15.16032 7.125676 -0.1912194     27.00838 -6.763000      34.46299 10.27000       43.48131 15.63818 7.540324 17.79244 8.551100 -2.154255      11.40078 
1 1 1 -30 26 21 o 15.59727 7.163173 6.662621       24.95048 -2.272769      30.00685 26.68000       44.91250 15.32303 7.292833 18.95929 8.994276 -3.636264      11.57940 
1 1 1 -30 26 22 o 14.49202 6.976521 -8.974586      29.22365 -8.974586      29.22365 0.000000       0.000000 14.49202 6.976521 ?        ?        ?              ?        
1 1 1 -30 26 23 o 11.23473 5.582731 -34.64003      23.78778 -11.72927      28.46385 -87.70000      43.31690 14.02917 6.786078 12.72337 6.469306 1.305796       9.375648 
1 1 1 -30 26 24 o 14.54667 6.821877 0.6663048      24.51491 -6.564626      29.31097 17.50000       44.72216 14.57865 7.010211 17.81163 8.588639 -3.232987      11.08638 
1 1 1 -30 26 25 o 21.21791 8.360062 41.79721       25.52983 34.31564       30.85425 58.04000       45.46204 19.23428 8.462638 20.88022 9.618441 -1.645939      12.81135 
1 1 1 -30 27 1  o 19.60326 7.683482 27.50380       21.46717 -18.35691      31.97394 65.14351       28.96669 14.65108 7.111773 27.48707 9.175780 -12.83599      11.60915 
1 1 1 -30 27 2  o 28.26273 7.846818 58.55123       22.47635 43.16153       33.89523 70.62931       30.02773 21.87660 9.234584 28.47427 9.336095 -6.597673      13.13165 
1 1 1 -30 27 3  o 28.64072 7.751051 59.47200       22.25459 -10.61272      33.46106 115.0646       29.80138 15.51680 7.468670 40.44358 7.810817 -24.92678      10.80694 
1 1 1 -30 27 4  o 29.05812 7.791636 61.39474       22.61447 73.67493       34.18521 51.83887       30.15581 27.59151 9.925392 23.96393 9.184220 3.627583       13.52270 
1 1 1 -30 27 5  o 22.52668 8.081945 39.63556       22.64905 -5.976198      34.04009 75.86934       30.33954 15.96078 7.643096 29.59191 9.355870 -13.63112      12.08094 
1 1 1 -30 27 6  o 19.39206 7.789080 27.07673       22.57949 -7.377794      33.77109 54.93052       30.36436 15.78331 7.572584 24.50587 9.257419 -8.722567      11.96009 
1 1 1 -30 27 7  o 29.94046 7.845074 65.54735       23.26344 37.14462       34.53421 89.14368       31.47688 20.77465 9.051026 32.40290 9.385628 -11.62825      13.03883 
1 1 1 -30 27 8  o 21.39198 7.980437 35.46847       22.41467 30.79262       33.41276 39.29461       30.22473 19.87697 8.773496 21.35177 8.844598 -1.474798      12.45798 
1 1 1 -30 27 9  o 15.71330 7.062241 7.812321       22.68277 37.42833       32.67524 -19.73410      31.51288 20.85567 8.943557 14.37438 6.996347 6.481294       11.35500 
1 1 1 -30 27 10 o 25.44027 8.878242 55.67544       27.17595 28.63202       33.54715 107.3000       46.35034 19.55076 8.701519 29.40066 11.35545 -9.849894      14.30604 
1 1 1 -30 27 11 o 19.20006 8.178716 26.76606       26.99800 25.77048       33.80275 28.52000       44.86658 19.15961 8.615364 19.67711 9.228204 -0.5175095     12.62475 
1 1 1 -30 27 12 o 17.29431 7.425858 17.20782       22.58034 5.078797       32.85067 28.07082       31.08896 16.74634 7.867218 19.44090 8.526020 -2.694553      11.60113 
1 1 1 -30 27 13 o 22.77923 8.207109 41.60960       23.38418 39.18277       34.43936 43.68553       31.85238 20.99658 9.093926 21.92313 9.080298 -0.9265442     12.85112 
1 1 1 -30 27 14 o 11.66346 5.751962 -30.78795      23.55231 -36.79000      35.73609 -26.17886      31.31589 13.97678 6.927542 13.82382 6.780529 0.1529646      9.693627 
1 1 1 -30 27 15 o 19.91810 8.257032 31.52422       26.37029 49.92107       33.01213 -0.9117000     43.83439 22.62185 9.294218 17.17592 8.334933 5.445927       12.48413 
1 1 1 -30 27 16 o 15.17670 7.203257 -3.200710      28.87393 43.75000       61.24629 -16.61777      32.74066 20.36507 9.875421 14.65383 7.132133 5.711246       12.18159 
1 1 1 -30 27 17 o 27.12343 8.169590 58.32313       23.46828 48.50681       32.39684 69.16215       34.04263 22.24014 9.179426 25.79318 9.788783 -3.553041      13.41947 
1 1 1 -30 27 18 o 14.17530 6.606333 -0.8350700     22.40553 20.30602       30.20804 -26.68778      33.40502 17.88321 8.083506 13.96229 6.878871 3.920914       10.61423 
1 1 1 -30 27 19 o 12.12250 5.948025 -24.71373      24.16094 -23.81862      29.21660 -26.65000      42.97100 13.32222 6.537520 15.25124 7.565709 -1.929016      9.998956 
1 1 1 -30 27 20 o 19.18406 8.018559 30.03306       25.16666 29.05086       30.56685 32.10000       44.34184 18.84267 8.350636 19.07860 9.017046 -0.2359314     12.28984 
1 1 1 -30 27 21 o 15.05176 6.959446 5.346237       24.12227 5.785763       28.72177 4.294000       44.44018 15.69495 7.367896 16.89739 8.242970 -1.202435      11.05588 
1 1 1 -30 27 22 o 13.77769 6.636931 -9.903802      26.54902 -9.460000      33.44424 -10.66000      43.65604 14.89825 7.241355 15.92586 7.849636 -1.027617      10.67961 
1 1 1 -30 27 23 o 14.76455 6.875000 4.125296       24.18182 8.620307       28.50973 -7.401000      45.65335 15.81417 7.397047 16.08629 7.947134 -0.2721224     10.85695 
1 1 1 -30 28 1  o 15.56706 6.939974 8.406876       21.43068 -21.43385      30.53693 37.36759       30.08329 14.02252 6.838870 20.91913 8.756973 -6.896605      11.11102 
1 1 1 -30 28 2  o 26.50154 8.066671 54.13339       22.79687 17.72487       32.61893 88.89636       31.87327 18.07303 8.258926 31.91942 9.499145 -13.84640      12.58744 
1 1 1 -30 28 3  o 32.06721 7.475733 72.45370       23.03041 40.24879       33.09887 102.6792       32.06554 21.18206 9.040385 35.42740 9.174761 -14.24534      12.88040 
1 1 1 -30 28 4  o 21.62292 8.036890 36.86143       22.69247 13.64604       32.44919 59.08202       31.74634 17.58333 8.109214 24.85166 9.447865 -7.268328      12.45076 
1 1 1 -30 28 5  o 22.82373 8.684287 44.82335       26.83635 -8.507375      32.42911 160.7000       47.80181 15.39472 7.395130 38.79109 11.65410 -23.39638      13.80239 
1 1 1 -30 28 6  o 14.82405 6.783544 2.813114       22.10546 0.1018338      31.24012 5.531949       31.28360 16.01273 7.568194 16.57620 7.751879 -0.5634747     10.83371 
1 1 1 -30 28 7  o 18.61102 7.734746 23.96706       23.22244 22.57706       32.60584 25.39799       33.08234 18.67425 8.423606 19.05363 8.548995 -0.3793736     12.00177 
1 1 1 -30 28 8  o 26.04166 8.845341 58.02959       26.91430 58.49839       33.19457 57.13000       45.98238 24.37717 9.554474 22.37784 10.05658 1.999323       13.87165 
1 1 1 -30 28 9  o 19.99883 8.314788 31.53774       26.85106 10.43651       32.54061 76.56000       47.53192 17.20290 7.998489 24.38846 10.62212 -7.185560      13.29681 
1 1 1 -30 28 10 o 15.91913 7.141189 9.453064       23.07121 5.181835       31.56128 14.35459       33.80989 16.48325 7.733370 17.67093 8.194418 -1.187675      11.26736 
1 1 1 -30 28 11 o 15.85233 7.095596 9.751965       22.64173 -12.57042      31.99358 32.14893       32.04698 14.86241 7.190434 19.76687 8.663039 -4.904469      11.25836 
1 1 1 -30 28 12 o 28.69314 8.480194 66.68172       25.47275 56.39000       39.07676 74.28638       33.59035 22.59475 9.736048 27.09684 9.826379 -4.502092      13.83287 
1 1 1 -30 28 13 o 21.59212 8.794474 42.66792       29.24020 57.24000       39.39392 24.79000       43.63419 22.58341 9.753571 18.89119 8.933359 3.692228       13.22638 
1 1 1 -30 28 14 o 11.87530 5.923077 -42.24689      27.82271 44.32000       60.55551 -65.41135      31.32484 20.16163 9.786762 11.50126 5.809171 8.660366       11.38100 
1 1 1 -30 28 15 o 12.04038 5.855349 -19.10813      21.94454 -16.75761      30.37922 -21.67290      31.73358 14.09429 6.862123 13.97136 6.847272 0.1229296      9.694013 
1 1 1 -30 28 16 o 23.92973 8.230731 48.31794       23.31928 15.77257       32.27820 83.84908       33.72634 17.29970 8.016854 28.58255 9.895430 -11.28286      12.73536 
1 1 1 -30 28 17 o 24.34579 8.253260 50.41006       23.43074 42.12162       32.51233 59.36653       33.79715 20.65364 8.889977 23.32488 9.471745 -2.671242      12.99021 
1 1 1 -30 28 18 o 23.48944 8.210089 47.66154       23.24470 27.06492       31.78484 71.34162       34.08109 18.40373 8.307822 25.28104 9.744398 -6.877304      12.80520 
1 1 1 -30 28 19 o 13.38007 6.325501 -4.343400      21.84891 29.37265       29.74063 -43.87669      32.20426 18.62528 8.246523 12.49939 6.255219 6.125896       10.35050 
1 1 1 -30 28 20 o 14.94700 6.827416 6.974304       22.25946 -3.821598      29.81817 20.56337       33.45387 14.82105 7.112143 17.55975 8.145727 -2.738696      10.81367 
1 1 1 -30 29 1  o 16.06654 7.157156 11.24833       22.74783 -17.00082      32.11158 39.70499       32.22931 14.49872 7.058137 20.83341 8.906990 -6.334687      11.36450 
1 1 1 -30 29 2  o 18.91702 7.730514 26.44670       22.68443 19.09455       31.61191 34.25164       32.57083 17.93393 8.170424 19.98105 8.745834 -2.047121      11.96852 
1 1 1 -30 29 3  o 25.41293 8.206641 52.17393       23.24873 24.81660       32.44564 81.04208       33.32951 18.67675 8.415765 28.71176 9.841219 -10.03501      12.94893 
1 1 1 -30 29 4  o 13.93007 6.517362 -2.802798      22.15447 -17.24633      30.59823 13.11253       32.11940 14.19918 6.907223 17.24416 7.993197 -3.044983      10.56413 
1 1 1 -30 29 5  o 14.33369 6.652843 0.4630158E-01  22.36174 -31.20319      30.50169 36.36057       32.88070 13.17873 6.507950 20.22687 8.821714 -7.048146      10.96248 
1 1 1 -30 29 6  o 22.16576 8.502368 42.85134       25.85939 27.92627       31.42754 74.14000       45.50358 19.02789 8.448172 23.84783 10.38974 -4.819939      13.39098 
1 1 1 -30 29 7  o 24.02512 8.693083 51.15901       26.27005 18.73463       31.59365 123.8000       47.28843 17.80654 8.133703 30.69171 11.56186 -12.88517      14.13626 
1 1 1 -30 29 8  o 16.98943 7.384461 17.08454       22.87386 22.21151       31.33946 11.23966       33.46178 18.20187 8.229949 17.07126 7.994340 1.130608       11.47351 
1 1 1 -30 29 9  o 23.99796 8.244337 48.01431       23.39432 28.44914       32.03673 70.36632       34.24243 18.99895 8.476585 25.74825 9.806665 -6.749296      12.96238 
1 1 1 -30 29 10 o 17.84450 7.686108 21.89769       24.33504 13.56000       35.25224 29.48776       33.63462 17.34598 8.149171 19.06431 8.581388 -1.718330      11.83424 
1 1 1 -30 29 11 o 15.11028 7.145900 -0.4337574     27.92840 -3.701000      35.00667 5.287000       46.32195 15.75156 7.596137 17.34579 8.451515 -1.594228      11.36351 
1 1 1 -30 29 12 o 16.11747 7.544993 7.270785       29.76125 -65.68000      61.29901 29.77027       34.04276 15.51228 7.867488 18.94647 8.571028 -3.434186      11.63443 
1 1 1 -30 29 13 o 16.74187 7.275244 17.22929       22.19200 36.88173       31.28494 -2.674645      31.48448 19.92283 8.647962 15.28853 7.328998 4.634301       11.33585 
1 1 1 -30 29 14 o 16.71234 7.278367 17.37929       22.31346 3.311797       30.82191 32.87162       32.34518 15.69617 7.447623 19.18357 8.540776 -3.487401      11.33190 
1 1 1 -30 29 15 o 24.06625 8.130973 49.43489       22.74064 60.55035       31.08791 36.64181       33.35151 23.91818 9.282932 19.52413 8.683703 4.394049       12.71139 
1 1 1 -30 29 16 o 15.51741 6.983528 11.05190       22.26346 26.45798       30.38284 -6.812462      32.71718 18.14707 8.163332 14.91018 7.227299 3.236885       10.90293 
1 1 1 -30 29 17 o 17.28975 7.434981 21.13384       22.69967 8.949462       31.08929 35.04641       33.22101 16.15651 7.609793 19.24743 8.606552 -3.090923      11.48833 
1 1 1 -30 29 18 o 16.61171 7.457588 17.53918       25.21406 29.67574       30.75535 -7.339000      44.03342 18.38204 8.245638 15.85659 7.828298 2.525458       11.36982 
1 1 1 -30 30 1  o 16.27126 7.222598 13.78144       22.95740 1.318229       31.98129 27.03104       32.97482 15.77407 7.513542 18.61039 8.425628 -2.836320      11.28913 
1 1 1 -30 30 2  o 18.34500 7.697520 25.18971       23.32823 27.15862       32.96192 23.21380       33.02037 18.62292 8.428363 18.14363 8.298154 0.4792938      11.82779 
1 1 1 -30 30 3  o 14.11922 6.599837 -0.7851105     22.63321 -23.43017      30.67013 26.29317       33.53818 13.57882 6.670440 18.51162 8.426655 -4.932796      10.74724 
1 1 1 -30 30 4  o 17.10540 7.638287 17.72774       26.07192 -10.33974      32.00467 73.10000       44.95291 14.76029 7.153110 23.19276 10.20912 -8.432467      12.46568 
1 1 1 -30 30 5  o 21.68283 8.496389 42.86207       26.24422 9.864565       31.49669 117.8000       47.46519 16.51637 7.741413 28.66941 11.36673 -12.15304      13.75253 
1 1 1 -30 30 6  o 33.14108 7.720361 82.09071       24.57716 55.95687       34.00948 110.6567       35.55684 22.63334 9.379344 33.62564 10.03937 -10.99230      13.73904 
1 1 1 -30 30 7  o 14.32780 6.657636 1.550518       22.49154 -9.984844      30.92182 14.50970       32.77465 14.56058 7.050303 17.03469 7.955856 -2.474106      10.63026 
1 1 1 -30 30 8  o 15.24200 7.005174 6.877720       23.92255 -1.807000      34.99171 14.49913       32.77970 15.71255 7.581599 16.99726 7.944308 -1.284709      10.98147 
1 1 1 -30 30 9  o 13.99644 6.739000 -8.953878      27.29274 3.634000       33.97417 -31.86000      45.82984 16.01034 7.658438 15.07615 7.532277 0.9341812      10.74183 
1 1 1 -30 30 10 o 16.32106 7.630675 10.86008       30.28201 -26.12000      65.67841 20.84366       34.12572 16.68027 8.423431 17.60754 8.188106 -0.9272690     11.74731 
1 1 1 -30 30 11 o 14.59089 6.747044 4.305912       22.68083 -43.37119      30.60930 62.35451       33.77492 12.18612 6.098432 23.34801 9.473223 -11.16189      11.26645 
1 1 1 -30 30 12 o 21.22789 8.058599 39.86168       23.07612 15.21430       31.17320 69.74121       34.32281 16.74926 7.801404 24.45741 9.675649 -7.708149      12.42900 
1 1 1 -30 30 13 o 23.48680 8.212106 48.60920       23.25737 38.08606       31.52528 61.17609       34.45087 19.69892 8.613756 22.92157 9.463833 -3.222643      12.79691 
1 1 1 -30 30 14 o 14.42146 6.778888 1.347958       24.45123 5.021979       29.62869 -6.497000      43.29491 15.48648 7.334598 15.88240 7.826084 -0.3959255     10.72585 
1 1 1 -30 31 1  o 24.90096 9.435266 67.64501       31.59822 52.70000       65.06301 72.25799       36.14736 19.36108 9.550409 24.25150 9.814655 -4.890421      13.69444 
1 1 1 -30 31 2  o 18.96439 8.144824 31.93001       27.17612 -10.47251      33.19582 118.1000       47.32228 14.62275 7.131337 27.58152 11.20506 -12.95877      13.28192 
1 1 1 -30 31 3  o 14.70778 6.923897 2.077929       25.67883 20.31053       31.47561 -34.21000      44.40490 17.28946 7.978318 14.63889 7.328745 2.650567       10.83347 
1 1 1 -30 31 4  o 16.90742 7.392416 19.53630       23.21435 7.451653       32.62746 31.92580       33.03645 16.03026 7.622373 18.69101 8.450595 -2.660749      11.38038 
1 1 1 -30 31 5  o 13.20063 6.283608 -6.065913      22.29275 -23.21042      30.43952 13.76717       32.73937 13.31180 6.559936 16.64917 7.831677 -3.337369      10.21606 
1 1 1 -30 31 6  o 11.29433 5.602594 -31.22967      23.55605 -57.25000      34.50611 -8.520165      32.23617 12.22493 6.165162 14.64847 7.117520 -2.423543      9.416385 
1 1 1 -30 31 7  o 20.86470 8.670657 43.89169       29.17889 26.44000       36.51125 74.74000       48.54266 18.05411 8.420436 21.97353 10.05412 -3.919428      13.11446 
1 1 1 -30 31 8  o 17.45267 7.962287 21.97546       30.15613 40.18000       66.09943 17.19041       33.88842 18.79707 9.334743 17.04564 8.002355 1.751427       12.29533 
1 1 1 -30 31 9  o 11.71215 5.798070 -28.80570      24.75391 -41.54254      29.38674 2.310000       45.93148 11.94654 5.978073 16.46573 8.103288 -4.519193      10.06979 
1 1 1 -30 31 10 o 21.33751 8.983412 51.25581       31.94156 51.25581       31.94156 0.000000       0.000000 21.33751 8.983412 ?        ?        ?              ?        
1 1 1 -29 0  1  o 17.86167 8.777186 24.98774       18.26634 24.98774       18.26634 24.98774       18.26634 17.86167 8.777186 17.86167 8.777186 -0.000000      0.000000 
1 1 1 -29 0  2  o 22.54923 8.963622 36.56643       19.10362 36.56643       19.10362 36.56643       19.10362 22.54923 8.963622 22.54923 8.963622 -0.000000      0.000000 
1 1 1 -29 0  3  o 12.75454 7.708961 9.400152       17.65318 9.400152       17.65318 9.400152       17.65318 12.75454 7.708961 12.75454 7.708961 -0.000000      0.000000 
1 1 1 -29 0  4  o 25.29735 9.269477 44.53639       21.18119 44.53639       21.18119 44.53639       21.18119 25.29735 9.269477 25.29735 9.269477 -0.000000      0.000000 
1 1 1 -29 0  5  o 35.14624 7.260388 70.64833       22.05014 70.64833       22.05014 70.64833       22.05014 35.14624 7.260388 35.14624 7.260388 -0.000000      0.000000 
1 1 1 -29 0  6  o 48.48108 5.348098 122.9743       24.59230 122.9743       24.59230 122.9743       24.59230 48.48108 5.348098 48.48108 5.348098 -0.000000      0.000000 
1 1 1 -29 0  7  o 13.61375 8.149368 11.66391       19.35065 11.66391       19.35065 11.66391       19.35065 13.61375 8.149368 13.61375 8.149368 -0.000000      0.000000 
1 1 1 -29 0  8  o 13.37519 8.110023 10.53367       19.66910 10.53367       19.66910 10.53367       19.66910 13.37519 8.110023 13.37519 8.110023 0.000000       0.000000 
1 1 1 -29 0  9  o 20.40029 9.362840 32.43605       20.43866 32.43605       20.43866 32.43605       20.43866 20.40029 9.362840 20.40029 9.362840 -0.000000      0.000000 
1 1 1 -29 0  10 o 14.35326 8.580777 13.51668       21.39933 13.51668       21.39933 13.51668       21.39933 14.35326 8.580777 14.35326 8.580777 -0.000000      0.000000 
1 1 1 -29 0  11 f 9.577269 6.568957 -10.90972      19.78823 -10.90972      19.78823 -10.90972      19.78823 9.577269 6.568957 9.577269 6.568957 -0.000000      0.000000 
1 1 1 -29 0  12 o 34.80513 8.161640 72.40298       24.16169 72.40298       24.16169 72.40298       24.16169 34.80513 8.161640 34.80513 8.161640 0.000000       0.000000 
1 1 1 -29 0  13 o 19.83900 9.800108 32.23101       22.82135 32.23101       22.82135 32.23101       22.82135 19.83900 9.800108 19.83900 9.800108 -0.000000      0.000000 
1 1 1 -29 0  14 o 77.87829 4.892850 310.8602       36.95642 310.8602       36.95642 310.8602       36.95642 77.87829 4.892850 77.87829 4.892850 0.000000       0.000000 
1 1 1 -29 0  15 f 9.752720 6.735587 -13.49237      21.66789 -13.49237      21.66789 -13.49237      21.66789 9.752720 6.735587 9.752720 6.735587 0.000000       0.000000 
1 1 1 -29 0  16 o 16.16259 9.203737 20.79099       22.73013 20.79099       22.73013 20.79099       22.73013 16.16259 9.203737 16.16259 9.203737 0.000000       0.000000 
1 1 1 -29 0  17 o 12.86180 8.288497 4.794261       24.11689 4.794261       24.11689 4.794261       24.11689 12.86180 8.288497 12.86180 8.288497 0.000000       0.000000 
1 1 1 -29 0  18 o 16.95830 9.676982 23.64560       25.20100 23.64560       25.20100 23.64560       25.20100 16.95830 9.676982 16.95830 9.676982 0.000000       0.000000 
1 1 1 -29 0  19 o 13.93780 8.803906 9.642705       25.61119 9.642705       25.61119 9.642705       25.61119 13.93780 8.803906 13.93780 8.803906 -0.000000      0.000000 
1 1 1 -29 0  20 o 13.18178 8.525803 5.172843       25.82756 5.172843       25.82756 5.172843       25.82756 13.18178 8.525803 13.18178 8.525803 0.000000       0.000000 
1 1 1 -29 0  21 o 19.38840 10.34650 33.22366       26.71811 33.22366       26.71811 33.22366       26.71811 19.38840 10.34650 19.38840 10.34650 -0.000000      0.000000 
1 1 1 -29 0  22 o 10.27671 7.186605 -20.22572      26.78623 -20.22572      26.78623 -20.22572      26.78623 10.27671 7.186605 10.27671 7.186605 0.000000       0.000000 
1 1 1 -29 0  23 o 16.37560 11.02124 3.692000       50.52326 3.692000       50.52326 3.692000       50.52326 16.37560 11.02124 16.37560 11.02124 -0.000000      0.000000 
1 1 1 -29 0  24 o 13.71742 8.794056 8.155343       26.70178 8.155343       26.70178 8.155343       26.70178 13.71742 8.794056 13.71742 8.794056 -0.000000      0.000000 
1 1 1 -29 0  25 o 24.05768 14.07373 65.39000       55.37376 65.39000       55.37376 65.39000       55.37376 24.05768 14.07373 24.05768 14.07373 -0.000000      0.000000 
1 1 1 -29 0  26 o 44.93042 15.23919 167.3000       60.00971 167.3000       60.00971 167.3000       60.00971 44.93042 15.23919 44.93042 15.23919 -0.000000      0.000000 
1 1 1 -29 0  27 o 21.11889 13.06042 47.16000       53.33664 47.16000       53.33664 47.16000       53.33664 21.11889 13.06042 21.11889 13.06042 -0.000000      0.000000 
1 1 1 -29 0  28 o 57.05043 6.732359 181.1414       36.22174 181.1414       36.22174 181.1414       36.22174 57.05043 6.732359 57.05043 6.732359 0.000000       0.000000 
1 1 1 -29 0  29 o 45.43140 11.51803 141.7000       44.28507 141.7000       44.28507 141.7000       44.28507 45.43140 11.51803 45.43140 11.51803 0.000000       0.000000 
1 1 1 -29 0  30 o 18.81317 11.37925 34.65000       38.52321 34.65000       38.52321 34.65000       38.52321 18.81317 11.37925 18.81317 11.37925 -0.000000      0.000000 
1 1 1 -29 0  31 o 11.81918 8.102507 -8.715379      30.01876 -8.715379      30.01876 -8.715379      30.01876 11.81918 8.102507 11.81918 8.102507 -0.000000      0.000000 
1 1 1 -29 0  32 o 12.69871 8.584366 -2.411811      31.30568 -2.411811      31.30568 -2.411811      31.30568 12.69871 8.584366 12.69871 8.584366 0.000000       0.000000 
1 1 1 -29 0  33 o 44.57450 9.139488 125.5731       35.24362 125.5731       35.24362 125.5731       35.24362 44.57450 9.139488 44.57450 9.139488 0.000000       0.000000 
1 1 1 -29 0  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -29 0  35 o 17.28884 10.37215 28.57858       31.48139 28.57858       31.48139 28.57858       31.48139 17.28884 10.37215 17.28884 10.37215 -0.000000      0.000000 
1 1 1 -29 0  36 o 52.40656 7.521857 161.0200       36.28171 161.0200       36.28171 161.0200       36.28171 52.40656 7.521857 52.40656 7.521857 -0.000000      0.000000 
1 1 1 -29 0  37 o 19.69995 11.11021 40.32388       32.69491 40.32388       32.69491 40.32388       32.69491 19.69995 11.11021 19.69995 11.11021 -0.000000      0.000000 
1 1 1 -29 0  38 o 14.72236 9.518292 13.66956       32.14622 13.66956       32.14622 13.66956       32.14622 14.72236 9.518292 14.72236 9.518292 -0.000000      0.000000 
1 1 1 -29 0  39 o 52.40863 7.767604 163.5930       37.27790 163.5930       37.27790 163.5930       37.27790 52.40863 7.767604 52.40863 7.767604 -0.000000      0.000000 
1 1 1 -29 0  40 o 11.15726 7.817190 -18.35404      32.12999 -18.35404      32.12999 -18.35404      32.12999 11.15726 7.817190 11.15726 7.817190 0.000000       0.000000 
1 1 1 -29 0  41 f 13.03071 8.828096 -0.8361082E-01 33.46872 -0.8361082E-01 33.46872 -0.8361082E-01 33.46872 13.03071 8.828096 13.03071 8.828096 0.000000       0.000000 
1 1 1 -29 0  42 o 15.52615 9.957716 19.95808       34.28016 19.95808       34.28016 19.95808       34.28016 15.52615 9.957716 15.52615 9.957716 -0.000000      0.000000 
1 1 1 -29 0  43 o 13.47619 9.473588 -14.48000      48.38553 -14.48000      48.38553 -14.48000      48.38553 13.47619 9.473588 13.47619 9.473588 0.000000       0.000000 
1 1 1 -29 0  44 o 12.71037 9.085360 -32.49000      51.43425 -32.49000      51.43425 -32.49000      51.43425 12.71037 9.085360 12.71037 9.085360 0.000000       0.000000 
1 1 1 -29 1  1  o 21.48024 5.965958 25.28319       12.99004 25.14269       18.54914 25.41841       18.19730 21.59173 7.343060 21.65190 7.273392 -0.6016350E-01 10.33551 
1 1 1 -29 1  2  o 17.08757 6.068799 14.21125       12.73876 1.884762       18.66606 24.95709       17.42823 15.56953 6.719072 21.44485 7.116273 -5.875318      9.787098 
1 1 1 -29 1  3  o 14.62013 5.903935 6.443432       13.04816 -2.683698      18.70946 15.08653       18.20660 14.70476 6.524121 18.55965 7.130352 -3.854895      9.664682 
1 1 1 -29 1  4  o 28.27938 5.316791 42.89536       14.17711 44.81343       20.30258 41.07005       19.80558 27.99059 7.326263 26.79830 7.337036 1.192297       10.36852 
1 1 1 -29 1  5  f 52.08915 3.526940 137.3724       17.87652 149.2968       26.11575 126.8591       24.52190 53.40174 5.056441 49.11758 5.178314 4.284153       7.237577 
1 1 1 -29 1  6  o 33.72216 4.852484 59.85252       15.55663 49.90455       22.27860 69.31866       21.73236 29.32944 7.673453 35.42342 6.507460 -6.093987      10.06126 
1 1 1 -29 1  7  o 35.25627 4.596424 64.94680       15.48486 54.16994       22.15146 75.24580       21.65479 30.66305 7.453962 37.11152 6.178395 -6.448471      9.681638 
1 1 1 -29 1  8  o 48.66652 3.801854 120.8571       17.96694 104.1461       25.18602 138.1735       25.63819 43.83739 6.029123 51.18697 5.188673 -7.349575      7.954411 
1 1 1 -29 1  9  o 20.98442 6.514294 24.31333       14.77707 33.20125       21.21175 15.93259       20.59764 24.05277 7.844365 19.17792 7.523437 4.874844       10.86905 
1 1 1 -29 1  10 o 33.98576 5.020643 61.33401       16.19963 54.56723       22.92959 68.07742       22.88995 30.52550 7.681396 34.66166 6.988228 -4.136164      10.38456 
1 1 1 -29 1  11 o 48.87373 3.984498 122.6954       18.89617 120.0365       27.23816 125.1623       26.23642 46.93571 6.070888 48.24723 5.663225 -1.311512      8.302277 
1 1 1 -29 1  12 o 40.59128 4.577462 86.28629       17.87030 89.25662       25.91113 83.59177       24.67874 39.74036 6.911980 38.51953 6.793600 1.220829       9.691670 
1 1 1 -29 1  13 o 27.80373 6.174537 43.34801       16.36652 47.54716       23.39885 39.32576       22.90070 28.05690 8.081730 25.61537 8.132059 2.441534       11.46494 
1 1 1 -29 1  14 o 19.81708 6.809557 21.35714       15.96041 3.864593       22.60273 38.75311       22.54025 16.91558 7.346567 25.39216 8.068590 -8.476580      10.91211 
1 1 1 -29 1  15 o 40.14023 4.898740 85.74981       18.84906 48.15299       26.04864 127.0736       27.30923 27.72287 8.655763 48.12555 5.922059 -20.40269      10.48776 
1 1 1 -29 1  16 o 39.62844 4.952595 83.99717       18.79257 78.46398       25.95263 90.09653       27.24808 36.36498 7.538815 39.18183 7.375250 -2.816849      10.54647 
1 1 1 -29 1  17 o 12.26572 5.672529 -9.092933      16.03893 -17.01235      21.78535 0.2800177      23.70043 13.41989 6.335870 16.44040 7.315711 -3.020504      9.677958 
1 1 1 -29 1  18 o 11.96844 5.615584 -12.69097      16.64726 -0.8050376     23.24061 -25.21581      23.85706 16.10710 7.200726 13.22685 6.350924 2.880255       9.601286 
1 1 1 -29 1  19 o 18.67215 7.157949 17.42558       18.32052 0.4591365E-01  25.68291 35.43133       26.14141 16.86040 7.551199 23.94139 8.670527 -7.080988      11.49777 
1 1 1 -29 1  20 o 13.42830 6.188722 -8.415250      18.85329 -16.61605      24.42102 3.683000       29.66176 14.26925 6.728132 18.26156 8.151378 -3.992308      10.56942 
1 1 1 -29 1  21 o 17.92453 7.579441 10.88503       22.89856 56.73000       48.28641 -2.416256      26.00913 27.43565 11.25282 16.47647 7.468879 10.95918       13.50593 
1 1 1 -29 1  22 o 19.96485 7.363146 22.26876       18.98100 3.824351       26.92689 40.48558       26.76024 17.57580 7.810735 24.93985 8.801791 -7.364050      11.76771 
1 1 1 -29 1  23 o 17.88615 7.338603 13.43851       20.54565 -16.01000      30.67310 37.40332       27.67025 15.97030 7.533296 24.03980 8.885881 -8.069502      11.64944 
1 1 1 -29 1  24 o 36.97333 7.417383 83.09236       25.90933 87.31863       29.60902 69.28000       53.52777 36.90068 8.388259 28.56132 11.79489 8.339361       14.47351 
1 1 1 -29 1  25 o 36.65711 7.692575 83.30133       26.72019 77.67147       30.47840 102.0000       55.54549 33.86674 9.029609 32.93263 12.50251 0.9341125      15.42227 
1 1 1 -29 1  26 o 43.76202 9.660071 133.1256       40.27035 136.4000       58.62393 130.2000       55.41334 37.41438 13.04095 37.31182 12.69173 0.1025620      18.19743 
1 1 1 -29 1  27 o 21.67417 8.461830 28.69889       25.95215 1.333000       53.33468 37.18839       29.70611 20.95350 9.898973 23.57529 9.094695 -2.621799      13.44259 
1 1 1 -29 1  28 o 20.64724 7.836658 25.66422       21.81999 -0.1144868     31.93128 48.24687       29.88638 17.66229 8.108591 25.85629 9.282948 -8.194000      12.32568 
1 1 1 -29 1  29 o 29.61543 8.097638 58.07552       24.14312 33.34000       37.33678 75.85051       31.65054 22.76176 9.653993 32.34978 9.423540 -9.588020      13.49084 
1 1 1 -29 1  30 o 38.09619 7.958440 94.21526       28.71833 89.54000       40.01743 99.18000       41.23775 32.68563 10.78084 34.42289 10.91059 -1.737259      15.33843 
1 1 1 -29 1  31 o 18.12762 7.712977 14.67134       23.96244 6.115147       30.02202 29.69000       39.77546 17.76249 8.040865 21.83220 9.606981 -4.069704      12.52795 
1 1 1 -29 1  32 o 17.84063 7.507855 14.69834       22.29467 -1.423459      31.09585 31.75173       31.98165 16.98297 7.869584 21.78104 9.066645 -4.798071      12.00560 
1 1 1 -29 1  33 o 27.25507 8.038888 51.18755       22.90969 83.12167       32.90493 21.14395       31.91608 32.82603 9.621445 19.95868 8.698265 12.86734       12.97043 
1 1 1 -29 1  34 o 26.00162 8.220600 47.34924       23.42338 41.00489       32.89706 53.87304       33.35908 23.34663 9.393289 25.84843 9.716556 -2.501801      13.51463 
1 1 1 -29 1  35 o 19.17752 7.712357 21.73418       22.16577 35.49254       31.19160 7.697960       31.50500 22.19054 9.066182 17.96835 8.174634 4.222195       12.20739 
1 1 1 -29 1  36 o 17.30777 7.398584 12.82876       22.23166 28.83049       31.26097 -3.545522      31.62279 20.98950 8.864728 16.67323 7.796125 4.316267       11.80521 
1 1 1 -29 1  37 o 13.82040 6.474343 -8.904869      21.98064 -39.36600      30.77646 22.81046       31.40366 13.41938 6.609710 19.97500 8.667521 -6.555621      10.90019 
1 1 1 -29 1  38 o 20.09201 7.911520 25.96933       22.85123 27.64019       31.70930 24.16406       32.96001 20.71319 8.844662 20.24236 8.830339 0.4708309      12.49812 
1 1 1 -29 1  39 o 23.56731 8.218188 40.17280       23.28281 27.58704       32.20113 53.96076       33.70399 20.58232 8.853162 25.21175 9.697474 -4.629427      13.13086 
1 1 1 -29 1  40 o 23.04143 8.225862 38.57470       23.43246 29.28092       32.95943 48.07322       33.32051 20.79080 8.949975 24.00578 9.521752 -3.214983      13.06774 
1 1 1 -29 1  41 o 19.05143 7.897168 22.13945       24.11930 29.04628       34.13184 15.25039       34.08788 20.64493 8.996272 18.81181 8.536628 1.833128       12.40189 
1 1 1 -29 1  42 o 14.40528 6.771472 -7.257737      24.40078 -8.333782      33.94215 -6.106833      35.10295 16.17396 7.714180 16.55280 7.880873 -0.3788452     11.02800 
1 1 1 -29 1  43 o 20.18424 8.538806 29.73477       29.08376 29.00562       35.59216 31.20000       50.45411 20.14129 8.963674 20.63780 9.712376 -0.4965115     13.21657 
1 1 1 -29 1  44 o 14.61222 7.016264 -13.07022      29.12106 -91.17000      53.33938 20.09435       34.75843 14.60159 7.398366 18.81227 8.569353 -4.210676      11.32120 
1 1 1 -29 2  1  o 19.25403 6.434029 19.50788       14.24168 -15.25000      23.87960 38.69567       17.74242 14.70511 6.842125 26.20302 6.844093 -11.49791      9.677618 
1 1 1 -29 2  2  o 41.21121 4.351304 87.71021       17.28788 91.17415       22.91075 83.13000       26.34489 41.20075 5.844892 38.41544 7.272459 2.785309       9.330135 
1 1 1 -29 2  3  o 37.62320 4.149217 72.89901       15.02669 81.31578       22.02777 65.57301       20.55091 38.78150 5.996069 34.58480 6.302863 4.196705       8.699364 
1 1 1 -29 2  4  o 36.63734 4.268985 69.38566       15.02280 73.44156       22.11906 65.91273       20.46780 36.56744 6.413417 34.69077 6.257884 1.876671       8.960638 
1 1 1 -29 2  5  o 39.26132 4.134144 79.35094       15.64937 76.44408       22.88222 81.90536       21.45024 37.24254 6.514103 39.01690 5.792128 -1.774353      8.716782 
1 1 1 -29 2  6  o 27.80881 5.554502 41.91129       14.58989 58.09495       21.53560 28.18194       19.83552 32.02911 7.059692 22.55610 7.593843 9.473013       10.36850 
1 1 1 -29 2  7  o 18.38284 6.394501 17.28818       14.09140 19.37846       20.62667 15.45885       19.29628 20.10458 7.621975 18.82371 7.311346 1.280865       10.56174 
1 1 1 -29 2  8  o 18.01332 6.417714 16.20453       14.25604 23.80464       20.67994 9.322039       19.67942 21.28322 7.711246 17.39966 7.165204 3.883560       10.52632 
1 1 1 -29 2  9  o 42.46064 4.190401 93.06706       17.18921 87.15529       24.79836 98.53436       23.84792 39.61405 6.629456 42.69574 5.860869 -3.081696      8.848699 
1 1 1 -29 2  10 f 47.94442 3.923637 117.8410       18.25245 112.7524       26.27719 122.5851       25.37231 45.53128 6.045313 47.88755 5.513418 -2.356270      8.181906 
1 1 1 -29 2  11 o 39.25331 4.608112 80.72137       17.36863 51.63240       24.88481 108.3526       24.25326 29.23773 8.306542 44.85340 5.649223 -15.61568      10.04552 
1 1 1 -29 2  12 o 30.80502 5.675044 51.89334       16.48152 36.94471       23.50377 66.35506       23.11781 24.95620 8.263478 33.94543 7.182053 -8.989227      10.94838 
1 1 1 -29 2  13 o 28.85341 6.197351 46.67298       16.98042 44.68547       25.01143 48.37227       23.12699 27.01957 8.488341 28.32859 7.994067 -1.309025      11.66006 
1 1 1 -29 2  14 o 26.31231 6.625499 39.73557       17.05105 60.58173       24.10975 18.87529       24.11791 31.81865 7.801974 20.25738 8.079303 11.56127       11.23147 
1 1 1 -29 2  15 o 45.98651 4.423537 110.7356       19.66626 103.6058       27.27187 118.4601       28.38617 42.72628 6.744493 45.94839 6.492130 -3.222111      9.361407 
1 1 1 -29 2  16 f 22.71407 6.971086 30.10781       16.97958 24.22587       23.77448 36.23161       24.25834 21.25770 8.152829 24.36703 8.394283 -3.109324      11.70182 
1 1 1 -29 2  17 o 12.23569 5.666562 -9.396939      16.08842 -6.568077      22.12590 -12.57058      23.43548 14.91298 6.809980 14.52458 6.764877 0.3883972      9.598927 
1 1 1 -29 2  18 o 14.94224 6.433461 3.334162       17.03632 8.961136       23.30166 -3.127842      24.97083 17.81100 7.592981 16.24571 7.345804 1.565290       10.56476 
1 1 1 -29 2  19 o 10.99213 5.321917 -23.72358      17.60805 -23.89963      22.57310 -23.45000      28.14035 12.88745 6.185268 14.71882 7.021220 -1.831367      9.357087 
1 1 1 -29 2  20 o 48.80392 5.772782 131.9604       27.04369 118.8000       51.61471 136.9405       31.75085 38.01231 12.22365 48.61745 6.862655 -10.60514      14.01833 
1 1 1 -29 2  21 o 14.88515 6.541590 1.387316       18.38742 28.33042       25.25399 -29.01114      26.82451 22.00036 8.411414 13.72323 6.625767 8.277130       10.70760 
1 1 1 -29 2  22 o 24.71235 7.483563 37.64567       19.65465 51.51390       27.06355 22.16777       28.59106 27.81219 8.841613 20.96012 8.634474 6.852076       12.35833 
1 1 1 -29 2  23 o 29.46612 8.257770 56.11724       24.76720 64.08335       28.16645 28.96000       52.00581 30.95303 8.851564 23.80943 10.69787 7.143597       13.88505 
1 1 1 -29 2  24 o 29.84738 8.874187 60.04305       27.82758 59.92000       32.78717 60.36000       52.62198 28.87864 9.763201 27.39254 11.53144 1.486099       15.10941 
1 1 1 -29 2  25 o 30.69667 8.205068 61.06409       25.12684 56.55592       28.77463 75.54000       51.56231 28.58227 9.120277 29.36584 11.77901 -0.7835617     14.89713 
1 1 1 -29 2  26 o 23.95488 8.660556 38.12978       26.06705 69.52000       55.85165 29.38794       29.47410 27.84821 11.80923 22.03680 8.882427 5.811411       14.77685 
1 1 1 -29 2  27 o 23.46413 8.654778 36.44841       26.22569 35.62000       56.13394 36.67971       29.66196 24.03495 10.92564 23.45028 9.076794 0.5846634      14.20415 
1 1 1 -29 2  28 o 35.96150 9.223102 90.59064       32.61895 0.000000       0.000000 90.59064       32.61895 ?        ?        35.96150 9.223102 ?              ?        
1 1 1 -29 2  29 o 29.19527 8.139131 56.73231       24.12810 61.33000       37.21959 53.39959       31.68846 27.68114 10.29199 26.73969 9.563614 0.9414444      14.04948 
1 1 1 -29 2  30 o 13.30249 6.216211 -9.901729      20.05387 -31.10658      27.22873 15.23547       29.64615 13.31793 6.486918 19.14928 8.363683 -5.831349      10.58448 
1 1 1 -29 2  31 o 18.82821 7.849606 18.30306       24.02579 35.72419       29.82468 -13.90000      40.54956 22.57644 8.990980 17.47702 8.361846 5.099421       12.27836 
1 1 1 -29 2  32 o 24.00085 8.554372 41.13052       25.33125 35.05044       31.14181 53.02000       43.54826 22.34183 9.084837 24.85301 10.47786 -2.511177      13.86794 
1 1 1 -29 2  33 o 17.39101 7.432188 12.62613       22.42331 10.08865       31.23851 15.32328       32.20633 18.33420 8.259894 19.15784 8.526296 -0.8236427     11.87112 
1 1 1 -29 2  34 o 26.53730 8.176350 49.09369       23.33048 75.95491       32.81013 21.62085       33.18156 31.08962 9.715548 20.16144 8.826056 10.92818       13.12597 
1 1 1 -29 2  35 o 30.30911 7.755641 61.66599       23.10134 79.90266       32.72896 43.55964       32.61180 31.84624 9.659739 23.63541 9.405313 8.210836       13.48223 
1 1 1 -29 2  36 o 26.34430 8.054214 48.55024       22.69358 79.04659       31.92325 17.39429       32.26663 31.86856 9.512064 19.29972 8.565011 12.56884       12.79995 
1 1 1 -29 2  37 o 20.55820 7.911430 27.82001       22.44009 49.76529       31.26016 4.488559       32.23232 24.92672 9.398153 17.62259 8.110959 7.304132       12.41422 
1 1 1 -29 2  38 o 14.97642 6.834452 -0.7593705     22.23785 -33.18611      30.70145 35.03011       32.25410 13.81443 6.762975 21.95180 9.118736 -8.137370      11.35294 
1 1 1 -29 2  39 o 21.27658 7.974421 31.27946       22.43394 13.72367       30.83036 51.03556       32.70537 18.44349 8.265798 24.74201 9.543308 -6.298517      12.62530 
1 1 1 -29 2  40 o 21.38123 8.104673 32.07933       23.31973 24.72659       32.94945 39.45859       33.00880 20.11252 8.800117 22.46034 9.267563 -2.347824      12.78005 
1 1 1 -29 2  41 o 23.53040 8.388379 41.51138       24.35890 -1.516258      34.05534 86.58596       34.85598 16.95925 7.980644 31.81082 10.02427 -14.85157      12.81314 
1 1 1 -29 2  42 o 18.81561 8.190530 20.32258       28.22895 44.01059       34.48967 -27.75000      49.13301 22.69123 9.427979 16.94520 8.347330 5.746029       12.59225 
1 1 1 -29 2  43 o 32.08656 8.122821 74.72662       25.53140 72.80233       36.57238 76.55595       35.65865 27.22922 10.18663 28.29175 10.14196 -1.062536      14.37452 
1 1 1 -29 2  44 o 21.10366 8.655406 35.74577       28.56643 -0.7000000     49.51310 53.93050       34.97437 18.12388 8.809573 23.73887 9.636972 -5.614996      13.05679 
1 1 1 -29 3  1  o 30.53808 4.914682 49.30702       14.19229 50.66595       21.00875 48.16628       19.24844 29.78817 7.270163 29.24570 6.845691 0.5424671      9.985928 
1 1 1 -29 3  2  o 41.68940 3.897716 88.88359       15.72093 104.9724       23.77381 76.38131       20.95712 44.38100 5.596831 37.61344 5.885001 6.767559       8.121438 
1 1 1 -29 3  3  o 32.71841 4.737922 56.19842       14.73240 69.21403       22.20792 45.96856       19.68840 35.31069 6.669712 28.42928 7.097525 6.881405       9.739605 
1 1 1 -29 3  4  o 30.70673 5.028759 50.03932       14.59202 58.54701       21.86081 43.20258       19.59679 32.12841 7.136937 27.49750 7.198082 4.630917       10.13648 
1 1 1 -29 3  5  o 49.61409 3.606441 124.9678       17.39460 129.3671       25.73341 121.2665       23.60371 49.41129 5.408928 48.02707 5.098790 1.384220       7.433315 
1 1 1 -29 3  6  o 35.49154 4.638092 65.90015       15.72764 74.47798       23.34078 58.76645       21.28550 36.53447 6.776337 32.25945 6.946526 4.275024       9.704275 
1 1 1 -29 3  7  o 26.87591 5.733468 39.52510       14.62283 25.05789       21.50343 51.97021       19.94412 21.72915 7.864606 30.29879 6.882157 -8.569647      10.45065 
1 1 1 -29 3  8  o 46.43657 4.029850 110.7256       18.13587 111.9294       27.38174 109.7849       24.20671 45.18791 6.366872 45.30015 5.576784 -0.1122437     8.463899 
1 1 1 -29 3  9  o 64.01834 3.437333 207.4286       21.46036 222.3585       31.36313 194.2841       29.42825 65.15457 4.954927 60.85991 4.983606 4.294662       7.027634 
1 1 1 -29 3  10 o 59.75968 3.573639 181.4530       20.80831 166.7993       29.55922 195.8483       29.29733 55.93642 5.468509 61.09268 4.941422 -5.156254      7.370362 
1 1 1 -29 3  11 o 28.67730 5.938400 45.47844       16.12007 30.41919       23.71625 58.41036       21.97738 23.19636 8.276147 31.80040 7.225346 -8.604040      10.98637 
1 1 1 -29 3  12 o 52.43471 3.911805 141.2060       19.93249 123.7603       28.30524 158.3676       28.07378 47.39968 6.253160 54.48282 5.332438 -7.083141      8.218084 
1 1 1 -29 3  13 o 24.59690 6.785594 34.85087       16.86751 17.74708       24.06890 51.35789       23.64527 20.03809 8.044185 29.13910 8.032250 -9.101011      11.36776 
1 1 1 -29 3  14 o 48.64721 4.233208 122.9912       19.95684 92.40143       27.97289 154.7012       28.48042 39.79514 7.455150 53.56070 5.510983 -13.76556      9.270933 
1 1 1 -29 3  15 o 12.77665 5.820313 -6.253330      16.03719 15.89018       22.94238 -27.41209      22.42644 19.28451 7.813794 12.57252 6.067243 6.711996       9.892765 
1 1 1 -29 3  16 o 21.07672 7.034403 25.41732       17.02437 23.48106       23.85450 27.42723       24.30399 21.05611 8.142639 22.04770 8.292383 -0.9915886     11.62180 
1 1 1 -29 3  17 f 23.23459 7.095803 31.90595       17.62026 34.61900       24.44637 28.97256       25.41974 23.83219 8.412500 22.44159 8.471843 1.390598       11.93911 
1 1 1 -29 3  18 o 21.82741 7.394814 27.84519       18.80982 11.98808       24.35180 51.30000       29.61657 18.60677 7.839357 27.83011 9.277870 -9.223337      12.14637 
1 1 1 -29 3  19 o 38.88956 6.950202 88.19670       25.48568 86.88000       50.70656 88.64175       29.47982 32.47371 12.02426 37.80673 8.202455 -5.333015      14.55551 
1 1 1 -29 3  20 f 22.33807 7.338696 29.81950       18.54988 30.89021       24.57424 28.40135       28.28171 22.66538 8.374708 22.29528 8.794614 0.3701000      12.14417 
1 1 1 -29 3  21 o 14.87443 6.497366 2.157014       17.89620 20.06987       23.89977 -20.70644      27.00115 19.99288 8.019369 14.56595 6.928374 5.426931       10.59777 
1 1 1 -29 3  22 o 18.29607 7.665721 12.82259       23.08381 23.89255       25.45011 -38.54000      54.82013 20.95524 8.318426 18.99725 9.242194 1.957991       12.43440 
1 1 1 -29 3  23 o 43.16928 6.454220 107.4280       26.43656 131.3686       30.51961 35.48000       52.90800 47.45499 6.761418 24.53933 10.92438 22.91566       12.84752 
1 1 1 -29 3  24 o 38.22250 7.173974 87.66138       25.85464 83.71481       29.48312 100.8000       53.79460 35.93305 8.513855 33.26584 12.37230 2.667213       15.01864 
1 1 1 -29 3  25 o 22.66451 7.869139 32.12089       21.33512 35.82000       31.55284 29.00504       28.95863 23.51864 9.285539 22.06998 8.835961 1.448660       12.81778 
1 1 1 -29 3  26 o 38.73884 7.127875 90.82083       26.03229 71.00237       29.87135 153.4000       53.08047 31.96580 9.107195 42.58955 12.14221 -10.62375      15.17808 
1 1 1 -29 3  27 o 39.73748 8.713408 104.9620       32.95614 0.000000       0.000000 104.9620       32.95614 ?        ?        39.73748 8.713408 ?              ?        
1 1 1 -29 3  28 o 26.91783 9.440207 53.25598       30.74829 0.000000       0.000000 53.25598       30.74829 ?        ?        26.91783 9.440207 ?              ?        
1 1 1 -29 3  29 o 18.34504 7.936855 12.63751       26.17575 -27.25000      49.33495 28.26550       30.88075 18.18379 8.828303 21.57291 8.938485 -3.389118      12.56326 
1 1 1 -29 3  30 o 17.84770 7.345349 15.25020       20.66531 -17.97140      27.52636 58.15853       31.28307 14.55956 6.944959 27.58953 9.531293 -13.02997      11.79313 
1 1 1 -29 3  31 o 14.16887 6.604864 -8.246547      22.41631 -17.87074      26.99292 13.14000       40.23814 14.34731 6.852970 19.89610 9.122351 -5.548793      11.40967 
1 1 1 -29 3  32 o 32.32914 7.973306 70.10986       25.07107 96.27603       30.80545 18.78000       43.14620 37.27235 8.616156 20.63390 9.455264 16.63845       12.79219 
1 1 1 -29 3  33 o 26.26274 8.641603 50.19741       25.71735 27.16558       31.56535 95.67000       44.35282 20.87994 8.867034 31.76900 11.31973 -10.88906      14.37917 
1 1 1 -29 3  34 o 18.61602 7.650270 18.66879       22.37368 50.15930       31.40738 -13.77711      31.88026 25.29522 9.444616 15.81112 7.522841 9.484094       12.07452 
1 1 1 -29 3  35 o 25.47423 8.163823 45.86820       23.03683 42.36620       32.13298 49.57161       33.04412 23.42041 9.330670 24.75464 9.580680 -1.334227      13.37351 
1 1 1 -29 3  36 o 47.28844 5.503024 128.6891       24.99665 99.44405       34.28482 161.8760       36.52239 36.09307 9.555660 49.73378 7.755317 -13.64071      12.30673 
1 1 1 -29 3  37 o 25.39536 8.166778 45.83793       23.03932 37.48145       32.05431 54.76886       33.13774 22.42916 9.180351 25.70782 9.679844 -3.278666      13.34085 
1 1 1 -29 3  38 o 19.78502 7.829659 24.73809       22.48198 10.31946       30.97674 40.78617       32.68024 18.12182 8.189074 22.95246 9.316346 -4.830643      12.40384 
1 1 1 -29 3  39 o 33.61741 7.427342 74.42299       23.78783 90.90571       33.29095 57.22818       34.00247 33.92264 9.597544 25.76972 9.782282 8.152920       13.70423 
1 1 1 -29 3  40 o 12.04199 5.879786 -27.41527      22.76098 -57.88287      31.99899 3.786474       32.38221 12.52606 6.263596 17.38255 8.046354 -4.856497      10.19688 
1 1 1 -29 3  41 o 30.49584 9.065846 72.51558       29.04402 53.09302       35.09907 114.7000       51.72713 24.46331 9.749945 31.17720 12.00806 -6.713884      15.46787 
1 1 1 -29 3  42 o 12.15324 5.947149 -27.88245      23.66411 0.5399093      33.77507 -55.28810      33.16548 16.93849 7.963649 12.78593 6.391012 4.152555       10.21101 
1 1 1 -29 3  43 o 13.43028 6.518184 -21.49778      26.83205 36.72000       45.56404 -52.40529      33.19911 21.00738 9.659624 12.83870 6.413867 8.168682       11.59509 
1 1 1 -29 3  44 o 19.27424 8.028993 25.86493       25.10655 15.96357       36.38148 34.86746       34.69086 18.43712 8.532497 20.70484 9.045128 -2.267717      12.43454 
1 1 1 -29 4  1  o 73.64281 3.523958 274.2002       25.32825 254.5176       32.20785 306.1000       41.00297 70.05849 4.724345 76.06685 5.545067 -6.008362      7.284724 
1 1 1 -29 4  2  o 65.74645 3.189257 217.3884       20.46306 179.3175       29.27858 253.7435       28.61123 58.42887 5.172753 70.38512 4.171590 -11.95626      6.645265 
1 1 1 -29 4  3  o 58.06053 3.358617 170.1576       19.00597 170.4893       28.25585 169.8835       25.68474 56.99615 5.119209 57.24756 4.622944 -0.2514076     6.897675 
1 1 1 -29 4  4  o 46.35199 3.712202 109.4226       16.70180 108.0685       25.14411 110.4918       22.34305 44.80057 5.875308 45.83062 5.064995 -1.030048      7.757153 
1 1 1 -29 4  5  o 31.54395 5.113218 52.97894       15.24758 60.05017       22.66646 47.13429       20.60704 32.37588 7.324319 28.61273 7.326796 3.763149       10.35990 
1 1 1 -29 4  6  o 40.81960 4.189194 86.00610       16.50082 84.97113       25.01451 86.80338       21.95504 39.02375 6.795501 40.13158 5.753452 -1.107826      8.903991 
1 1 1 -29 4  7  o 33.21973 5.054945 58.63404       15.91922 63.93391       24.44011 54.72850       20.98025 33.14717 7.682911 30.97395 7.075506 2.173220       10.44461 
1 1 1 -29 4  8  o 38.24499 4.500986 76.28792       16.52731 47.81166       24.37423 100.5232       22.48607 28.26443 8.279878 43.40913 5.409108 -15.14470      9.890138 
1 1 1 -29 4  9  o 21.97786 6.518263 27.07049       15.02835 25.73780       22.52211 28.14013       20.17728 21.92498 8.031631 22.42059 7.657885 -0.4956131     11.09731 
1 1 1 -29 4  10 o 42.38497 4.301183 93.23790       17.59773 89.42941       26.26249 96.34132       23.70714 39.74496 7.006623 42.07265 5.920209 -2.327690      9.172874 
1 1 1 -29 4  11 o 35.31267 5.167263 66.72751       17.33209 63.71136       25.41375 69.35027       23.69860 32.64603 8.013401 34.69547 7.213735 -2.049442      10.78205 
1 1 1 -29 4  12 o 20.03599 6.801889 21.92203       15.91502 -11.32263      22.64072 54.39408       22.37609 14.58516 6.743225 30.34109 7.561700 -15.75593      10.13165 
1 1 1 -29 4  13 o 16.76326 6.570475 11.72370       15.69854 8.535234       22.53891 14.72793       21.87803 17.77050 7.517252 18.92487 7.643958 -1.154364      10.72097 
1 1 1 -29 4  14 o 20.98774 6.920829 24.88652       16.49184 36.44316       23.59463 13.84718       23.06052 24.57350 8.282242 18.90837 7.768222 5.665129       11.35521 
1 1 1 -29 4  15 o 12.11429 5.602416 -9.120027      15.64409 -20.88773      22.03998 2.829036       22.20916 13.09780 6.238382 16.50081 7.222232 -3.403011      9.543482 
1 1 1 -29 4  16 o 13.32033 6.064710 -6.007976      17.38260 -21.06659      23.17762 13.35000       26.27884 13.44666 6.402519 19.29637 8.137515 -5.849714      10.35429 
1 1 1 -29 4  17 f 28.09495 8.205005 49.50776       23.96741 -44.61000      49.39201 78.49481       27.41087 18.06300 8.784275 35.77743 8.025339 -17.71443      11.89830 
1 1 1 -29 4  18 o 16.50841 6.806317 9.387737       17.78552 -0.7516635     24.20687 21.28229       26.21842 16.35483 7.327414 20.73539 8.370534 -4.380564      11.12461 
1 1 1 -29 4  19 o 24.76179 7.224232 36.95932       18.58835 10.37791       24.86279 70.64792       27.98997 18.32751 7.829053 33.22890 8.554791 -14.90139      11.59649 
1 1 1 -29 4  20 o 51.46512 4.410356 139.8555       22.00340 117.2471       29.74896 167.1620       32.69413 44.72943 7.026086 54.38802 6.255054 -9.658581      9.406997 
1 1 1 -29 4  21 o 15.37987 6.636499 4.208590       18.20619 -1.611007      23.65969 12.65741       28.50760 15.94852 7.186470 19.29924 8.315905 -3.350721      10.99089 
1 1 1 -29 4  22 o 22.63125 8.081580 31.48769       22.61917 37.31607       25.01889 5.403000       52.92819 24.13620 8.511260 21.76858 10.14801 2.367620       13.24476 
1 1 1 -29 4  23 o 36.10539 7.167305 78.24193       24.43608 92.50629       27.72112 28.53000       51.75055 38.95927 7.541919 23.72532 10.66488 15.23395       13.06217 
1 1 1 -29 4  24 o 15.48871 6.703327 4.500205       18.68417 6.039882       25.09819 2.586181       27.98345 17.38647 7.641687 17.49721 7.855688 -0.1107464     10.95934 
1 1 1 -29 4  25 o 44.11284 5.142791 106.7605       21.78997 104.5923       30.22871 109.1057       31.43820 40.96845 7.823367 41.65826 8.000670 -0.6898117     11.18999 
1 1 1 -29 4  26 o 22.88419 7.804905 33.26609       20.95806 29.63000       31.08888 36.29508       28.37504 22.13129 9.047705 23.41700 8.925052 -1.285715      12.70895 
1 1 1 -29 4  27 o 41.57925 6.249999 100.4534       24.65056 68.72000       36.58471 126.8396       33.36029 29.57405 10.30239 44.83358 7.889853 -15.25953      12.97648 
1 1 1 -29 4  28 o 24.69999 9.688901 44.42818       34.15879 55.32000       49.73145 34.70000       46.99987 25.85558 11.05943 23.34200 10.34919 2.513578       15.14651 
1 1 1 -29 4  29 o 23.84165 8.708053 39.36671       26.44597 72.78000       49.90170 26.31723       31.18548 27.89686 11.44046 21.18593 8.895403 6.710928       14.49180 
1 1 1 -29 4  30 o 31.80013 7.387084 64.45309       22.55308 72.65783       31.40562 55.71641       32.40771 31.12136 9.467076 26.75758 9.658911 4.363775       13.52480 
1 1 1 -29 4  31 o 27.78502 7.742102 51.43597       21.83747 30.10531       29.18436 78.57220       32.91720 21.45454 8.768041 31.90792 9.689346 -10.45338      13.06759 
1 1 1 -29 4  32 o 18.76782 7.823935 18.58655       23.86670 12.38748       28.92496 31.81000       42.24563 18.35137 8.128574 21.99300 9.778010 -3.641636      12.71547 
1 1 1 -29 4  33 o 19.94453 7.969246 24.41076       23.50879 31.19075       28.60764 10.31000       41.25617 21.50507 8.721049 19.54791 9.060349 1.957161       12.57564 
1 1 1 -29 4  34 o 15.84959 7.027450 4.908684       21.67241 26.86323       29.08650 -22.49246      32.49479 20.70564 8.634928 15.16737 7.315439 5.538278       11.31714 
1 1 1 -29 4  35 o 18.73695 7.623825 19.92431       21.94732 9.365219       29.65888 32.70476       32.62980 17.89649 8.056770 21.67066 9.099003 -3.774176      12.15333 
1 1 1 -29 4  36 o 21.23869 8.006504 30.57186       22.68596 45.56046       31.44589 14.30434       32.76003 24.02326 9.332747 18.89596 8.490400 5.127306       12.61694 
1 1 1 -29 4  37 o 23.43497 8.183533 39.07290       23.09146 13.51905       31.61007 68.31380       33.81370 18.64423 8.361637 28.51537 9.906287 -9.871140      12.96347 
1 1 1 -29 4  38 o 24.43020 8.186110 42.72980       23.05219 25.93286       31.50117 62.09531       33.82407 20.40209 8.765757 27.05491 9.853274 -6.652822      13.18808 
1 1 1 -29 4  39 o 24.10656 8.190177 42.16114       23.07509 50.90718       32.14314 32.86071       33.14620 24.73925 9.481855 21.37618 9.082397 3.363070       13.12995 
1 1 1 -29 4  40 o 13.26911 6.457149 -26.51870      26.80736 -10.13073      32.68476 -60.20000      46.85728 16.01532 7.619195 15.31121 7.644564 0.7041149      10.79312 
1 1 1 -29 4  41 o 14.73274 7.000527 -11.13331      27.42553 -22.01326      33.18710 12.30000       48.70490 14.97678 7.264153 19.57901 9.310686 -4.602232      11.80918 
1 1 1 -29 4  42 o 12.58811 6.197073 -33.70929      26.93791 -24.00000      45.29944 -39.02112      33.50591 16.62069 8.152931 13.76373 6.801287 2.856960       10.61733 
1 1 1 -29 4  43 o 14.63199 6.978044 -10.34757      27.75896 9.263000       47.23336 -20.69460      34.30927 18.70043 8.967813 15.00237 7.301593 3.698063       11.56438 
1 1 1 -29 4  44 o 18.31132 7.840056 21.17112       25.03638 37.81554       35.43885 4.586798       35.37482 20.97942 9.154041 17.12190 8.080644 3.857523       12.21037 
1 1 1 -29 5  1  o 41.44270 4.531895 89.34458       18.08440 97.78303       24.61628 79.45000       26.65569 42.41230 6.105245 37.18357 7.581089 5.228725       9.733804 
1 1 1 -29 5  2  o 69.81456 3.160040 245.1121       21.53860 249.8827       31.94886 241.1376       29.16192 69.35429 4.734654 68.41190 4.377874 0.9423904      6.448467 
1 1 1 -29 5  3  o 26.48392 5.708906 38.37297       14.36292 52.02540       22.29931 28.69345       18.77645 29.91148 7.601688 22.62453 7.380455 7.286943       10.59513 
1 1 1 -29 5  4  o 41.11715 4.103421 87.08254       16.29456 82.48093       24.39644 90.78860       21.89411 38.48227 6.721246 41.16188 5.577448 -2.679604      8.734018 
1 1 1 -29 5  5  o 61.01905 3.414402 188.3004       20.31191 185.2376       30.75592 190.6695       27.05030 59.14508 5.371073 60.62415 4.592647 -1.479069      7.066883 
1 1 1 -29 5  6  o 47.97490 3.874457 117.7613       18.03947 106.9224       27.06503 126.4258       24.19832 44.06374 6.467480 48.94648 5.126742 -4.882736      8.252987 
1 1 1 -29 5  7  o 26.07232 6.008338 37.69347       15.01851 23.35040       22.86841 48.57133       19.91528 21.37783 8.043039 29.11261 7.061931 -7.734774      10.70333 
1 1 1 -29 5  8  o 16.14161 6.414634 9.675936       15.14979 14.58000       26.28851 7.237382       18.53762 19.98081 8.260019 16.54035 6.895346 3.440464       10.75982 
1 1 1 -29 5  9  o 16.27556 6.377621 10.57455       14.78720 -4.511153      22.79556 21.53442       19.42989 15.68207 7.061293 20.37338 7.460458 -4.691310      10.27231 
1 1 1 -29 5  10 o 27.42692 6.172033 42.10191       16.16806 49.32451       23.96220 36.06563       21.90608 28.59031 8.160513 24.73757 7.964154 3.852741       11.40271 
1 1 1 -29 5  11 o 31.02907 5.774114 52.93279       16.89197 42.78911       25.15159 61.26761       22.79901 26.48420 8.534415 32.40651 7.356326 -5.922314      11.26729 
1 1 1 -29 5  12 f 30.33968 5.943770 51.08471       17.01975 54.38387       24.91158 48.19674       23.30754 29.82234 8.253815 28.19692 8.048279 1.625412       11.52824 
1 1 1 -29 5  13 o 32.84919 5.527941 58.94204       17.14386 74.39606       25.03497 45.29539       23.52554 35.61667 7.422125 27.20066 8.176578 8.416014       11.04284 
1 1 1 -29 5  14 o 20.19597 6.822722 22.74296       16.01153 47.54948       23.18815 0.1367028      22.13592 27.82682 8.054313 16.03642 7.106665 11.79040       10.74135 
1 1 1 -29 5  15 o 18.59679 7.062943 17.18639       17.73102 -21.07784      23.19613 70.97000       27.50072 13.45954 6.407643 33.73917 8.368219 -20.27963      10.53969 
1 1 1 -29 5  16 o 54.41653 5.060741 158.6788       26.64678 216.2000       55.74750 141.6449       30.33680 56.54155 10.45793 50.23267 6.308676 6.308880       12.21342 
1 1 1 -29 5  17 o 15.39704 6.533023 5.328376       17.10996 26.70756       22.90611 -21.65617      25.73435 21.68142 8.071553 14.19932 6.756797 7.482104       10.52636 
1 1 1 -29 5  18 o 50.46650 4.371020 133.9713       21.37928 109.0148       28.87948 164.2324       31.80095 43.19543 7.075111 54.21495 6.098228 -11.01952      9.340535 
1 1 1 -29 5  19 o 21.76608 7.328381 28.01869       18.47295 33.29383       24.80466 21.44936       27.68071 23.28493 8.444082 20.84217 8.530977 2.442762       12.00334 
1 1 1 -29 5  20 o 37.84944 5.645036 79.68211       20.27522 82.12501       27.14694 76.60040       30.49041 36.50489 7.832027 33.96501 9.020256 2.539886       11.94595 
1 1 1 -29 5  21 o 13.96405 6.485422 -10.30548      21.30255 -21.77131      23.37815 45.80000       51.71423 13.30196 6.360187 25.84574 11.16889 -12.54378      12.85287 
1 1 1 -29 5  22 o 25.04762 8.056459 40.05372       22.42036 27.86992       24.89816 92.29000       51.55395 21.73538 8.341434 32.37214 12.09770 -10.63675      14.69469 
1 1 1 -29 5  23 o 14.38360 6.427484 -1.135313      18.49627 -5.568112      24.59417 4.636138       28.06310 15.55399 7.131638 17.83652 7.947307 -2.282525      10.67801 
1 1 1 -29 5  24 o 37.82294 5.753453 80.60436       20.63005 31.22209       27.36205 145.6560       31.40451 22.48822 8.714147 50.07462 6.565176 -27.58640      10.91045 
1 1 1 -29 5  25 o 48.29722 5.154661 128.0920       23.99225 104.8000       35.15543 148.3979       32.82468 39.05892 9.324707 50.01878 6.887036 -10.95986      11.59230 
1 1 1 -29 5  26 o 33.11047 7.070949 66.77118       22.21972 59.66000       32.45565 73.04453       30.48381 28.41377 9.712131 32.28847 9.200401 -3.874699      13.37807 
1 1 1 -29 5  27 o 33.68864 6.815202 68.52347       21.70058 41.79984       29.76193 98.85817       31.70904 24.40872 9.177234 38.50425 8.627626 -14.09553      12.59593 
1 1 1 -29 5  28 o 17.58850 7.615782 10.04146       24.14043 7.702000       38.65025 11.53787       30.91141 19.58943 8.966311 18.97189 8.403262 0.6175461      12.28859 
1 1 1 -29 5  29 f 21.00768 9.083529 24.15352       34.24570 11.04000       48.12116 37.61000       48.74636 20.75069 9.674403 23.39835 10.44662 -2.647663      14.23818 
1 1 1 -29 5  30 o 24.98675 8.874291 45.40825       27.23889 43.36000       50.99196 46.22609       32.22124 23.72704 10.63228 24.64227 9.480898 -0.9152317     14.24545 
1 1 1 -29 5  31 o 15.95753 7.044536 5.322659       21.54888 -12.97871      29.33191 26.78266       31.76241 15.39427 7.292944 20.95608 8.896832 -5.561813      11.50394 
1 1 1 -29 5  32 o 28.77857 7.837308 55.88231       22.66856 67.77251       30.83158 41.89188       33.44388 29.57530 9.441012 23.42917 9.455308 6.146128       13.36172 
1 1 1 -29 5  33 o 18.63614 7.779255 18.12540       23.64049 14.89764       28.78071 24.82000       41.44897 18.69343 8.200652 21.11273 9.512836 -2.419300      12.55965 
1 1 1 -29 5  34 o 29.40315 8.390999 61.13676       25.33715 47.51418       30.33025 92.60000       46.09438 24.72392 9.271037 30.51610 11.43203 -5.792171      14.71881 
1 1 1 -29 5  35 o 22.32862 8.033009 34.45450       22.39299 -7.291512      29.79692 88.62845       33.94370 15.92802 7.485877 33.56194 9.753855 -17.63392      12.29537 
1 1 1 -29 5  36 o 25.77622 8.033412 46.67723       22.44832 19.01611       30.54067 79.18424       33.10794 19.31224 8.460576 31.35730 9.753423 -12.04506      12.91165 
1 1 1 -29 5  37 o 19.50389 7.770803 23.55722       22.28862 30.48919       30.39278 15.49123       32.78467 21.14175 8.822502 19.01111 8.521695 2.130638       12.26604 
1 1 1 -29 5  38 o 17.54826 7.462280 14.42079       22.40825 48.43503       30.62226 -24.78907      32.87794 24.60390 9.296159 14.90684 7.230231 9.697061       11.77688 
1 1 1 -29 5  39 o 16.50289 7.471145 5.174457       25.92348 31.50402       30.57590 -62.14000      48.88905 21.11485 8.832904 15.54001 7.766395 5.574832       11.76168 
1 1 1 -29 5  40 o 18.31161 7.974802 16.33806       26.78749 14.65829       32.08863 20.20000       48.65514 18.63532 8.385618 20.45501 9.598399 -1.819691      12.74550 
1 1 1 -29 5  41 o 19.49759 7.977304 24.83187       24.19171 5.629436       33.90197 44.75373       34.53120 17.57753 8.169754 22.93635 9.472879 -5.358818      12.50921 
1 1 1 -29 5  42 o 27.33999 9.109025 61.64499       28.54922 71.60000       47.98696 56.19096       35.51905 25.05760 10.79312 24.51209 9.795192 0.5455074      14.57522 
1 1 1 -29 5  43 o 16.93633 7.511062 12.62604       24.77239 -6.320803      35.02971 31.58099       35.03720 16.20157 7.757061 20.27440 8.964972 -4.072832      11.85507 
1 1 1 -29 5  44 o 18.40944 8.425809 18.77815       34.12546 -27.30000      46.70525 71.55000       49.98265 16.15425 7.991191 23.78930 10.60253 -7.635046      13.27677 
1 1 1 -29 6  1  o 39.39795 4.208548 80.26488       15.97870 45.82130       24.44855 105.9476       21.11152 27.69249 8.337905 44.92878 4.878754 -17.23629      9.660378 
1 1 1 -29 6  2  o 44.19225 3.904611 100.0845       16.71644 83.82813       25.56692 112.2232       22.09296 38.55579 7.033666 46.19801 4.963424 -7.642220      8.608603 
1 1 1 -29 6  3  o 44.65575 4.357951 103.2955       18.80660 108.3678       25.82693 97.57000       27.43934 44.65143 6.065954 41.70094 6.968042 2.950493       9.238475 
1 1 1 -29 6  4  o 51.41448 3.665859 134.5877       18.32774 103.6547       27.56036 159.1130       24.54038 43.15867 6.744523 55.34716 4.570512 -12.18849      8.147280 
1 1 1 -29 6  5  o 33.05860 4.957219 57.98775       15.54694 54.07907       24.19940 60.73490       20.28762 30.15749 8.048294 32.97656 6.516354 -2.819075      10.35557 
1 1 1 -29 6  6  o 56.11858 3.536069 159.9268       19.32503 196.4502       30.22782 134.6800       25.13181 61.06377 5.103920 50.45877 5.161017 10.60501       7.258519 
1 1 1 -29 6  7  o 78.57453 3.264407 311.5348       25.05217 295.4098       36.77211 325.5018       34.22329 74.97292 5.040093 79.33325 4.424705 -4.360336      6.706754 
1 1 1 -29 6  8  f 27.58265 6.031943 42.29491       15.83075 37.40479       24.19339 45.95639       20.93463 25.11670 8.385777 27.98989 7.492879 -2.873182      11.24564 
1 1 1 -29 6  9  o 14.16140 6.083137 2.042117       15.16445 24.11170       22.99674 -14.93786      20.17148 21.44954 8.066528 13.22901 6.198865 8.220533       10.17324 
1 1 1 -29 6  10 f 12.45613 5.648571 -5.613222      14.89325 4.957712       22.27665 -14.15690      20.02699 17.06053 7.351193 13.25687 6.200490 3.803654       9.616970 
1 1 1 -29 6  11 o 19.37066 6.701434 20.16714       15.46689 0.6424873      22.58139 37.42193       21.22823 16.35026 7.214901 25.06839 7.811932 -8.718132      10.63396 
1 1 1 -29 6  12 o 18.45672 6.699075 17.45541       15.61657 -8.629737      22.78260 40.57416       21.44810 14.94821 6.857624 25.97700 7.806873 -11.02879      10.39107 
1 1 1 -29 6  13 o 12.12040 5.592196 -8.657929      15.45557 -7.121441      23.47258 -9.833974      20.53563 15.33986 7.008435 13.96452 6.444123 1.375345       9.520761 
1 1 1 -29 6  14 o 10.71710 5.163832 -20.62630      16.09432 -26.25944      22.86013 -15.09000      22.66278 12.81184 6.168360 13.97756 6.556300 -1.165714      9.001874 
1 1 1 -29 6  15 o 34.86994 6.880030 70.58772       22.64833 63.23000       47.02077 72.81039       25.84380 29.14980 11.38720 34.65016 7.807574 -5.500355      13.80676 
1 1 1 -29 6  16 o 47.58984 4.404043 119.1358       20.28235 87.15045       27.41140 157.8343       30.15110 38.14091 7.609210 53.47001 5.856552 -15.32910      9.602046 
1 1 1 -29 6  17 o 23.25283 7.141285 32.19757       17.81504 21.34476       24.18805 45.06494       26.33751 20.47257 8.115089 26.43823 8.747196 -5.965656      11.93181 
1 1 1 -29 6  18 o 33.46024 5.995550 63.14074       18.91525 86.23734       25.60886 35.41283       28.05917 38.27409 7.096896 23.87383 8.924373 14.40026       11.40221 
1 1 1 -29 6  19 o 11.48266 5.468827 -16.79750      16.93338 -32.78727      22.07726 6.050850       26.39074 11.82387 5.777063 17.85382 7.841908 -6.029947      9.740122 
1 1 1 -29 6  20 o 15.98002 7.064519 1.930744       21.74535 20.79561       24.29726 -73.99000      48.74282 20.18814 8.089856 16.11785 8.006229 4.070292       11.38180 
1 1 1 -29 6  21 o 32.15353 7.608176 63.76995       23.56919 52.89542       26.43016 106.0000       52.08413 28.24272 8.702707 34.84491 12.28102 -6.602192      15.05193 
1 1 1 -29 6  22 o 16.64990 6.898642 10.09794       18.39428 -2.851712      24.95656 25.49973       27.21706 16.04383 7.289899 21.37203 8.562872 -5.328201      11.24568 
1 1 1 -29 6  23 o 38.93412 5.635052 84.77272       20.85133 63.07812       28.11178 111.3057       31.08894 30.57978 8.873363 42.50687 7.757829 -11.92708      11.78645 
1 1 1 -29 6  24 o 21.08485 7.683626 26.59785       20.57264 30.11000       29.35570 23.20815       28.83938 22.29301 8.906078 20.92503 8.651034 1.367983       12.41606 
1 1 1 -29 6  25 o 31.33116 7.213359 60.44246       21.66388 29.35000       31.30588 89.01391       30.00990 22.09364 9.061123 36.79558 8.502927 -14.70194      12.42593 
1 1 1 -29 6  26 o 20.09531 7.520814 23.65518       19.93938 -10.55095      27.02658 64.51250       29.53752 15.41209 7.206727 30.17720 9.181462 -14.76511      11.67202 
1 1 1 -29 6  27 o 54.59956 4.534973 160.4869       24.01794 128.7783       32.44221 198.9439       35.72802 45.49219 7.550206 58.40001 6.352379 -12.90782      9.867033 
1 1 1 -29 6  28 o 19.03195 7.506361 19.82244       20.60058 7.785264       27.71792 34.67675       30.79105 17.85339 7.929904 22.78286 9.114664 -4.929478      12.08141 
1 1 1 -29 6  29 o 13.44517 6.599032 -38.60489      29.81085 0.000000       0.000000 -38.60489      29.81085 ?        ?        13.44517 6.599032 ?              ?        
1 1 1 -29 6  30 o 26.21745 10.07226 56.83894       36.32933 68.34000       51.49237 45.44000       51.26326 26.46928 11.28579 23.82418 10.66932 2.645092       15.53073 
1 1 1 -29 6  31 o 15.98859 7.398603 -3.328394      27.34429 -13.18000      51.49264 0.5408224      32.27031 18.90882 9.141797 17.39298 8.044599 1.515844       12.17736 
1 1 1 -29 6  32 o 28.03345 7.914230 53.57250       22.66228 28.15417       30.80318 83.56468       33.46002 20.97629 8.826057 32.66891 9.735288 -11.69262      13.14059 
1 1 1 -29 6  33 o 22.19995 8.297394 33.95514       24.25322 20.44524       29.21490 63.91000       43.50228 19.61829 8.435510 26.34469 10.72816 -6.726397      13.64739 
1 1 1 -29 6  34 o 24.01908 8.543183 42.07507       25.25267 11.28695       29.94377 117.9000       46.99168 18.20286 8.152914 34.88215 11.68777 -16.67929      14.25040 
1 1 1 -29 6  35 o 33.18423 8.290970 76.40578       26.85132 43.23169       31.83416 158.2000       49.98678 23.58722 9.322393 41.74366 11.74322 -18.15645      14.99367 
1 1 1 -29 6  36 o 22.70305 8.119621 36.30993       22.84151 43.54726       30.58003 27.17609       34.35386 23.65276 9.199286 20.75818 9.035832 2.894575       12.89469 
1 1 1 -29 6  37 f 14.70007 6.737844 -2.040117      21.92826 -1.176628      29.66616 -3.080132      32.55761 16.49433 7.658109 16.79980 7.873121 -0.3054638     10.98329 
1 1 1 -29 6  38 o 19.35577 7.810070 23.15162       22.81357 34.23452       30.35240 8.760239       34.58736 21.69807 8.913018 18.29993 8.415177 3.398138       12.25794 
1 1 1 -29 6  39 o 15.90367 7.294253 1.118691       25.75583 -3.724599      30.45927 13.27000       48.24594 16.22829 7.608456 19.86408 9.393477 -3.635796      12.08826 
1 1 1 -29 6  40 o 38.62150 6.931695 94.76105       25.24155 69.57504       34.41511 124.0831       37.13359 28.13120 9.976610 40.08680 9.592118 -11.95560      13.83985 
1 1 1 -29 6  41 o 20.25502 8.341316 28.62285       26.67122 5.354000       41.19042 45.42226       34.99900 18.31674 8.667040 22.94379 9.512014 -4.627047      12.86841 
1 1 1 -29 6  42 o 15.42895 7.048066 2.801817       23.72704 -20.21881      32.51852 29.01100       34.69756 14.79329 7.178769 20.16295 8.918282 -5.369660      11.44860 
1 1 1 -29 6  43 o 13.64418 6.605962 -18.88242      27.13090 2.736863       32.91063 -64.74000      47.93150 16.69720 7.853604 14.74853 7.415481 1.948673       10.80132 
1 1 1 -29 7  1  o 28.49944 6.085003 45.04870       16.45827 57.23628       23.94797 34.14000       22.65668 31.12296 7.860334 24.26003 8.115376 6.862932       11.29797 
1 1 1 -29 7  2  o 23.67146 6.384573 31.52971       15.13018 7.536331       24.19763 46.93233       19.38761 18.16631 7.740799 28.62015 6.983381 -10.45384      10.42533 
1 1 1 -29 7  3  f 34.04853 4.905889 61.43232       15.87897 47.28136       24.90282 71.12788       20.61304 27.98428 8.412605 36.00446 6.064245 -8.020178      10.37049 
1 1 1 -29 7  4  o 41.13573 4.293668 87.80195       17.03411 98.12862       26.73806 80.74767       22.09919 41.89075 6.750229 38.38090 6.085182 3.509853       9.088181 
1 1 1 -29 7  5  o 43.88313 4.125077 99.43855       17.51107 98.47838       27.28970 100.1106       22.83125 41.82650 6.906461 43.16968 5.529951 -1.343174      8.847573 
1 1 1 -29 7  6  o 30.82115 5.460686 51.50860       15.87116 41.71341       25.17809 57.96690       20.44445 26.29342 8.544339 31.97939 6.743950 -5.685972      10.88515 
1 1 1 -29 7  7  o 31.44460 5.561119 53.81041       16.49044 49.50402       25.92932 56.73517       21.36874 28.40481 8.594181 31.36016 7.124064 -2.955349      11.16299 
1 1 1 -29 7  8  o 52.18372 3.964289 140.0751       20.09763 137.0501       30.65329 142.3560       26.61689 49.71982 6.450459 51.61357 5.345807 -1.893745      8.377712 
1 1 1 -29 7  9  o 35.07740 5.155695 65.99740       17.17417 52.87192       25.60353 76.73371       23.15632 29.30419 8.457841 36.86584 6.662250 -7.561655      10.76664 
1 1 1 -29 7  10 o 23.58974 6.653189 31.93207       16.02378 43.35469       23.93625 22.65613       21.57010 26.64790 8.293859 20.80111 7.814519 5.846792       11.39538 
1 1 1 -29 7  11 o 27.64587 6.167854 43.11428       16.26615 18.91903       23.77589 64.40343       22.30236 20.16169 8.028186 33.33758 7.054918 -13.17589      10.68755 
1 1 1 -29 7  12 o 19.98353 7.030019 21.85049       17.06088 18.64722       23.72648 25.28000       24.55005 20.02766 8.004849 21.65849 8.290215 -1.630835      11.52412 
1 1 1 -29 7  13 o 21.69446 7.618651 27.00955       20.03146 12.94000       46.01862 30.29862       22.25001 22.37433 10.05731 22.71254 8.024944 -0.3382034     12.86659 
1 1 1 -29 7  14 o 16.60663 6.604578 11.32533       16.07235 5.584941       22.63145 17.16651       22.82930 17.04408 7.376990 19.42621 7.821840 -2.382126      10.75180 
1 1 1 -29 7  15 o 23.23335 7.040368 31.93503       17.39156 46.66924       25.04562 18.21464       24.16859 27.08700 8.491961 19.82976 8.025264 7.257235       11.68410 
1 1 1 -29 7  16 o 14.44732 6.287677 1.742366       16.62878 3.983328       22.98435 -0.7189186     24.08773 16.79812 7.349903 16.32860 7.312985 0.4695187      10.36826 
1 1 1 -29 7  17 o 31.81355 6.171458 57.59377       18.52438 44.97885       25.20978 72.39928       27.31107 26.47039 8.545549 33.92347 8.295184 -7.453083      11.90951 
1 1 1 -29 7  18 o 18.03995 7.059541 15.50361       18.09818 20.79876       24.14059 8.708024       27.34778 20.23593 8.078987 18.49732 8.056696 1.738602       11.40966 
1 1 1 -29 7  19 o 18.56532 7.630050 14.75407       22.25788 26.72304       25.20610 -27.62000      47.42719 21.59899 8.365374 18.54088 8.915923 3.058105       12.22592 
1 1 1 -29 7  20 o 13.31092 6.280894 -15.49160      21.35381 -5.839540      23.89988 -53.69000      47.54539 15.37781 7.043159 16.89660 8.301250 -1.518787      10.88654 
1 1 1 -29 7  21 o 11.94332 5.666903 -15.73263      17.84432 -16.37892      24.56880 -15.01107      25.95999 14.22340 6.719224 14.79232 6.963076 -0.5689182     9.676384 
1 1 1 -29 7  22 o 34.07925 6.370201 67.36572       20.46844 68.37284       28.40111 66.27731       29.52509 32.00428 8.795568 31.13301 9.110814 0.8712788      12.66369 
1 1 1 -29 7  23 o 15.89684 6.946337 4.153171       20.47008 -14.40000      30.77590 18.87341       27.41317 16.07430 7.571154 19.98969 8.363009 -3.915388      11.28106 
1 1 1 -29 7  24 o 23.67056 7.805582 35.71684       20.97795 53.30000       30.70335 20.32174       28.72953 27.27652 9.441628 20.31170 8.533740 6.964827       12.72671 
1 1 1 -29 7  25 o 28.85502 7.137393 51.40300       20.04607 32.61709       27.00598 74.45497       29.91562 22.56772 8.680538 32.82199 9.029708 -10.25427      12.52547 
1 1 1 -29 7  26 o 13.07626 6.096976 -9.892279      19.11938 -21.55610      25.62110 4.765197       28.72149 13.81555 6.619840 17.68634 7.948130 -3.870788      10.34384 
1 1 1 -29 7  27 o 31.96587 6.951790 62.51472       21.13059 53.37982       28.82437 73.12698       31.06791 27.20940 9.154153 31.82073 9.355054 -4.611328      13.08876 
1 1 1 -29 7  28 o 13.78168 6.352295 -6.194180      19.87095 -16.08762      26.94676 5.598112       29.41927 14.63972 6.951377 17.76978 8.009789 -3.130063      10.60558 
1 1 1 -29 7  29 o 16.88857 7.170234 10.95874       20.63170 10.62854       28.36145 11.32990       30.06861 18.18276 8.051694 18.54213 8.246198 -0.3593750     11.52517 
1 1 1 -29 7  30 o 22.05027 9.091683 33.26254       31.73671 0.000000       0.000000 33.26254       31.73671 ?        ?        22.05027 9.091683 ?              ?        
1 1 1 -29 7  31 o 15.04737 7.306852 -27.77992      33.83528 -46.59000      47.32391 -8.109000      48.39468 16.35263 8.081023 18.82113 9.039217 -2.468498      12.12478 
1 1 1 -29 7  32 o 20.04304 7.795207 25.20082       21.95729 9.166183       29.33794 45.62030       33.10720 17.90504 8.040789 24.11713 9.514709 -6.212097      12.45729 
1 1 1 -29 7  33 o 22.00842 8.005231 32.85823       22.31617 13.84111       30.28303 55.45871       33.01307 18.70184 8.298738 26.15330 9.698806 -7.451462      12.76463 
1 1 1 -29 7  34 o 17.57630 7.699279 11.77376       25.28596 -3.165655      30.31289 45.95000       45.84824 16.45146 7.672798 23.40288 10.30563 -6.951418      12.84826 
1 1 1 -29 7  35 o 21.93261 8.446585 33.99245       25.59193 29.14782       30.22574 46.26000       48.09777 20.93854 8.772250 23.33068 10.39925 -2.392143      13.60503 
1 1 1 -29 7  36 o 14.20574 6.601254 -6.070826      22.11653 -21.70502      29.81497 13.05745       32.97879 14.50567 6.999028 18.72414 8.456511 -4.218472      10.97720 
1 1 1 -29 7  37 o 20.63569 7.942636 28.41393       22.62022 16.27344       30.59848 43.04436       33.59004 18.85867 8.356483 23.26602 9.444579 -4.407351      12.61074 
1 1 1 -29 7  38 o 17.72395 7.790777 13.07964       26.09291 13.45459       30.68260 12.10000       49.59550 18.34925 8.233012 19.90624 9.445848 -1.556992      12.53022 
1 1 1 -29 7  39 o 23.75818 8.362295 41.81410       24.14240 56.07084       33.02804 25.45646       35.37798 25.58335 9.657046 20.28948 8.988231 5.293867       13.19268 
1 1 1 -29 7  40 o 17.88778 7.851024 14.75637       26.40782 8.077000       41.23476 19.40076       34.38429 18.68416 8.789023 19.29151 8.680688 -0.6073475     12.35319 
1 1 1 -29 7  41 f 14.20795 6.660761 -6.547549      23.33676 6.961429       32.04081 -21.81083      34.05778 17.38810 8.033006 15.06398 7.318593 2.324116       10.86697 
1 1 1 -29 7  42 o 13.00844 6.363572 -27.32451      27.02848 -24.29163      32.49775 -34.13000      48.68063 14.43872 7.044740 16.32221 8.089237 -1.883497      10.72680 
1 1 1 -29 7  43 o 12.04327 6.000562 -44.96264      28.24049 -39.32000      52.06550 -47.31469      33.61489 16.31537 8.132089 13.12493 6.540648 3.190443       10.43604 
1 1 1 -29 8  1  o 16.06948 6.347212 9.958742       14.74888 6.019033       24.04750 12.33434       18.67343 17.78876 7.651088 17.74329 7.098217 0.4547119E-01  10.43666 
1 1 1 -29 8  2  o 31.45211 5.297770 53.33681       15.73081 45.61624       25.44553 58.11292       20.01353 27.35832 8.556930 32.10292 6.589969 -4.744598      10.80040 
1 1 1 -29 8  3  o 41.88059 4.251961 91.03076       17.18909 113.1842       27.77098 77.27268       21.88514 45.18431 6.462971 37.40315 6.194327 7.781155       8.952077 
1 1 1 -29 8  4  o 45.74017 4.022581 107.8469       17.82652 80.15525       27.66957 127.4976       23.30866 36.82253 7.912669 49.17501 4.907951 -12.35248      9.311193 
1 1 1 -29 8  5  o 36.19785 4.830795 69.39962       16.68929 87.69485       26.79895 57.80904       21.33052 39.04587 7.279649 31.67605 7.060066 7.369823       10.14090 
1 1 1 -29 8  6  o 39.55764 4.526587 82.03952       17.21175 65.03924       26.61937 94.25312       22.56273 32.70840 8.301637 41.68161 5.677652 -8.973209      10.05748 
1 1 1 -29 8  7  o 38.07145 4.760573 76.63419       17.35377 62.88609       26.71916 86.66491       22.82274 32.02272 8.415761 39.65115 6.073524 -7.628429      10.37847 
1 1 1 -29 8  8  o 30.12481 5.803496 50.13608       16.49212 64.85760       25.64014 39.74732       21.53902 32.77719 8.051068 25.76503 7.840664 7.012161       11.23814 
1 1 1 -29 8  9  o 32.65935 5.518832 58.20838       17.01459 94.17217       26.70595 33.63652       22.07467 40.59135 6.972690 23.84528 8.010895 16.74607       10.62040 
1 1 1 -29 8  10 f 57.80756 4.108263 173.0098       23.09457 166.1000       38.88316 176.7760       28.70661 53.24541 7.682531 57.55737 5.149712 -4.311954      9.248828 
1 1 1 -29 8  11 o 33.95329 5.920738 64.05957       18.96213 61.56321       26.03483 66.88000       27.67309 31.49010 8.322278 32.66103 8.555596 -1.170927      11.93560 
1 1 1 -29 8  12 o 34.82431 6.665333 69.60213       21.89280 63.79000       47.58175 71.16300       24.65788 29.33072 11.45578 34.55003 7.506330 -5.219316      13.69598 
1 1 1 -29 8  13 o 18.66196 6.859496 18.16336       16.45010 -5.820309      23.44588 41.41684       23.08621 15.42754 7.031592 25.81614 8.161126 -10.38860      10.77252 
1 1 1 -29 8  14 o 13.24193 5.948826 -3.375023      16.07423 -30.61488      22.78221 23.62788       22.68290 12.32747 5.988325 20.87542 7.974097 -8.547950      9.972275 
1 1 1 -29 8  15 o 19.11833 6.956052 19.62168       16.85164 6.821970       23.40338 33.40353       24.28468 17.40675 7.517786 23.43405 8.373206 -6.027306      11.25290 
1 1 1 -29 8  16 o 11.56242 5.473256 -14.81428      16.45777 -15.95691      22.40190 -13.47442      24.25840 13.69436 6.453049 14.60076 6.827458 -0.9064045     9.394468 
1 1 1 -29 8  17 o 17.55971 7.108482 12.91772       18.96793 -9.502830      25.64143 40.01377       28.18851 15.46765 7.159989 24.88526 9.004827 -9.417606      11.50445 
1 1 1 -29 8  18 o 27.87491 8.198984 49.75606       23.85892 56.35785       27.13351 27.25000       50.09855 29.17241 8.783892 23.69966 10.58519 5.472746       13.75511 
1 1 1 -29 8  19 o 42.19249 6.421872 102.1930       25.68626 105.7614       29.51385 91.05000       52.15476 41.89477 7.471191 32.31804 12.14915 9.576733       14.26256 
1 1 1 -29 8  20 o 36.77073 5.789452 76.02785       20.14928 70.48325       27.91195 82.06155       29.11701 32.82505 8.589464 35.68657 8.464381 -2.861515      12.05921 
1 1 1 -29 8  21 o 23.18239 7.506377 33.19067       19.44242 40.13957       26.80076 25.47118       28.24773 24.68360 8.798862 21.42947 8.674874 3.254129       12.35611 
1 1 1 -29 8  22 o 15.94524 6.934371 4.729703       20.19334 -20.65000      30.07015 25.57621       27.25267 15.29850 7.286616 21.30442 8.557226 -6.005918      11.23926 
1 1 1 -29 8  23 o 15.64547 6.884658 3.000896       20.42755 -16.95000      30.33072 19.56294       27.63494 15.67186 7.421981 20.09068 8.400412 -4.418818      11.20949 
1 1 1 -29 8  24 o 16.63568 6.976417 9.964146       19.14580 9.444693       25.86390 10.59386       28.47681 17.93651 7.823385 18.59081 8.156390 -0.6542988     11.30186 
1 1 1 -29 8  25 o 39.99725 5.767447 90.90020       21.92819 65.82396       30.44515 117.9319       31.60992 30.26663 9.342821 43.43195 7.718256 -13.16533      12.11857 
1 1 1 -29 8  26 o 22.91731 7.696406 33.81533       20.37563 48.56390       28.21065 17.73045       29.46098 26.07658 9.048985 19.70255 8.471337 6.374039       12.39547 
1 1 1 -29 8  27 o 23.08316 7.764731 34.60485       20.73849 41.40537       28.64903 27.11844       30.05905 24.25115 9.027117 21.32729 8.826089 2.923857       12.62492 
1 1 1 -29 8  28 o 25.63094 7.763135 43.53755       21.14928 40.12199       28.97922 47.42987       30.93576 23.72746 9.025248 25.18280 9.379193 -1.455345      13.01631 
1 1 1 -29 8  29 o 24.17963 7.817710 39.41050       21.09338 20.07508       28.60771 62.44562       31.22493 19.61975 8.389965 28.36236 9.527617 -8.742605      12.69516 
1 1 1 -29 8  30 o 17.32190 7.716887 7.804158       26.44945 14.05000       48.16367 5.107259       31.64874 20.61264 9.632659 17.83093 8.143300 2.781712       12.61354 
1 1 1 -29 8  31 o 37.85257 9.567628 107.6055       35.46071 0.000000       0.000000 107.6055       35.46071 ?        ?        37.85257 9.567628 ?              ?        
1 1 1 -29 8  32 o 25.14460 9.870895 52.05596       35.47738 -19.62000      49.43110 128.2000       50.94850 18.15819 8.820737 35.67791 12.16906 -17.51971      15.02969 
1 1 1 -29 8  33 o 27.73190 7.946884 52.91942       22.68035 39.18110       30.14831 70.83215       34.42524 22.92776 9.068911 29.10463 10.00082 -6.176876      13.50043 
1 1 1 -29 8  34 o 24.42239 8.085109 42.03675       22.50037 30.43912       29.90868 57.15925       34.15264 21.20262 8.791907 26.08935 9.826207 -4.886730      13.18529 
1 1 1 -29 8  35 o 13.77409 6.544713 -13.88618      23.96506 -30.64373      28.07432 31.12000       46.00871 13.34427 6.518781 21.63887 9.857773 -8.294600      11.81821 
1 1 1 -29 8  36 o 15.61451 7.158347 -0.2662878     24.76660 10.46815       29.37111 -26.68000      46.07288 17.89778 8.040794 17.04941 8.333522 0.8483696      11.58024 
1 1 1 -29 8  37 o 14.15913 6.739571 -14.17301      25.63983 -2.872367      30.70031 -40.23000      46.61796 16.45833 7.691040 16.33149 8.061261 0.1268387      11.14163 
1 1 1 -29 8  38 o 13.41004 6.378657 -13.67719      22.88818 -26.26868      31.74473 -0.4452375E-01 33.03114 14.45440 7.032299 17.03838 7.967181 -2.583979      10.62681 
1 1 1 -29 8  39 o 19.13187 8.150120 21.28272       26.81217 2.625000       43.16655 33.00259       34.21206 18.54792 8.804516 21.32244 9.147735 -2.774521      12.69648 
1 1 1 -29 8  40 o 15.56510 7.223846 -1.351532      26.35751 -21.89000      41.38155 12.66856       34.18992 16.33566 7.965708 18.37754 8.419657 -2.041878      11.59065 
1 1 1 -29 8  41 o 16.57397 7.574515 6.131242       27.44407 -31.79439      32.82171 94.27000       50.03550 14.06155 6.906139 27.74409 11.42511 -13.68254      13.35020 
1 1 1 -29 8  42 o 14.90604 7.096163 -8.681174      28.44668 73.79000       51.14499 -45.62180      34.22979 24.37027 10.80099 13.37746 6.655687 10.99281       12.68698 
1 1 1 -29 8  43 o 14.84512 6.870401 0.1227263      23.59113 -16.72756      32.87542 18.01083       33.87271 14.91790 7.234271 18.36744 8.402047 -3.449541      11.08734 
1 1 1 -29 9  1  o 43.44244 4.204234 97.96986       17.65435 66.79533       27.45781 119.9399       23.05053 32.99942 8.461316 47.54231 5.029464 -14.54288      9.843241 
1 1 1 -29 9  2  o 38.10911 5.250900 77.95462       19.06697 101.4153       27.67611 56.76000       26.30559 42.27478 6.928099 30.32701 8.514433 11.94777       10.97698 
1 1 1 -29 9  3  o 45.66270 4.140060 108.0023       18.30348 58.79317       28.58573 142.1965       23.82882 30.52837 8.973146 52.01791 4.731703 -21.48954      10.14428 
1 1 1 -29 9  4  o 20.31231 6.582292 22.92754       14.94833 11.99190       24.95673 29.04592       18.66740 19.02252 7.970402 22.48679 7.360472 -3.464270      10.84914 
1 1 1 -29 9  5  o 26.79805 6.272459 40.61197       16.16045 42.08679       26.16904 39.70283       20.54628 26.15397 8.721220 25.84214 7.610528 0.3118362      11.57496 
1 1 1 -29 9  6  o 22.41903 6.743232 28.77992       15.99696 42.22928       25.22917 19.73722       20.68717 26.21205 8.555447 19.90987 7.612774 6.302181       11.45207 
1 1 1 -29 9  7  o 13.89972 6.035136 1.003415       15.24494 10.66125       23.95244 -5.572868      19.76514 18.48630 7.780918 14.36747 6.512086 4.118830       10.14643 
1 1 1 -29 9  8  o 17.99520 6.646201 16.15898       15.47408 22.17571       24.29973 12.05480       20.06940 20.94427 8.184780 17.85480 7.280813 3.089468       10.95449 
1 1 1 -29 9  9  o 27.02403 6.806803 42.50460       17.99306 49.80716       25.57723 35.35000       25.31681 28.16117 8.538834 24.19254 8.559021 3.968632       12.09002 
1 1 1 -29 9  10 o 30.19996 6.993836 53.41516       20.26689 69.89000       47.66090 49.77858       22.39225 30.43560 11.57494 28.58181 7.791739 1.853790       13.95315 
1 1 1 -29 9  11 o 44.20763 4.439811 102.8869       18.95197 76.44106       28.22614 124.5964       25.57397 35.04045 8.348847 47.76278 5.574905 -12.72233      10.03906 
1 1 1 -29 9  12 o 30.74369 6.119168 53.49589       17.76654 41.99805       25.58224 64.20805       24.69272 25.75712 8.623541 32.38835 7.867790 -6.631231      11.67337 
1 1 1 -29 9  13 o 36.43381 5.310244 72.41522       18.38092 52.20623       26.14039 92.17943       25.85112 28.49369 8.630789 39.90382 6.866073 -11.41013      11.02876 
1 1 1 -29 9  14 o 21.13018 7.018236 25.86408       16.95039 18.97906       23.96832 32.75271       23.97461 19.92230 8.017044 23.24262 8.317889 -3.320324      11.55250 
1 1 1 -29 9  15 o 33.93284 5.921320 64.67976       18.95231 61.62049       26.77784 67.75037       26.82747 30.95043 8.554081 32.70655 8.351727 -1.756117      11.95507 
1 1 1 -29 9  16 o 22.01906 8.152162 28.60158       23.30611 34.38681       26.62467 9.637000       48.20534 23.54107 8.713687 21.83999 10.00282 1.701086       13.26592 
1 1 1 -29 9  17 f 16.39273 7.234288 2.818134       22.70770 6.056843       25.62449 -9.028000      49.00694 17.64091 7.738459 20.18980 9.523200 -2.548885      12.27090 
1 1 1 -29 9  18 o 15.98252 7.136996 0.3547300      22.76311 2.065971       25.89490 -5.464000      47.74992 17.05484 7.614243 20.25767 9.506719 -3.202831      12.18008 
1 1 1 -29 9  19 o 25.04660 7.625425 39.16473       20.36966 45.39576       29.50303 33.48885       28.15810 25.86868 9.230653 23.16098 8.875224 2.707703       12.80525 
1 1 1 -29 9  20 o 25.00087 7.558917 39.04512       20.06364 5.941304       28.06013 73.67398       28.69920 18.02837 7.994742 33.42113 8.692212 -15.39277      11.80976 
1 1 1 -29 9  21 o 27.09123 7.859531 46.79720       22.05688 62.27000       34.04207 35.60133       28.95745 29.13864 9.946980 23.50958 9.002445 5.629057       13.41590 
1 1 1 -29 9  22 o 29.35113 7.661090 54.33462       22.24124 3.742000       33.26527 95.23442       29.90942 18.61472 8.441562 38.68749 8.155678 -20.07277      11.73776 
1 1 1 -29 9  23 o 19.45436 7.453730 21.11831       19.85857 12.04917       27.66915 30.75288       28.51864 18.69985 8.124856 22.23164 8.811877 -3.531788      11.98593 
1 1 1 -29 9  24 o 13.66451 6.261525 -5.624104      18.92054 0.1744294      25.99963 -12.15189      27.58615 16.52701 7.482081 15.38337 7.221354 1.143633       10.39853 
1 1 1 -29 9  25 o 19.83233 7.500116 22.98603       19.94318 9.642810       27.26049 38.35067       29.25261 18.10383 7.960280 23.63249 9.048534 -5.528667      12.05164 
1 1 1 -29 9  26 o 17.56710 7.248473 13.75457       20.19240 6.452247       27.82393 21.87981       29.34987 17.69133 7.895967 20.37108 8.595786 -2.679747      11.67192 
1 1 1 -29 9  27 o 36.88396 6.186961 79.92390       21.54660 71.07004       29.52397 90.01318       31.51653 31.45918 9.083085 35.84580 8.997392 -4.386621      12.78497 
1 1 1 -29 9  28 o 37.32922 6.410737 83.30769       22.58051 80.45397       31.39044 86.36787       32.50608 33.08557 9.305313 34.22135 9.411696 -1.135784      13.23514 
1 1 1 -29 9  29 o 25.99632 7.718991 45.33214       21.06528 25.63721       27.88327 71.51960       32.15238 20.50428 8.494465 30.27930 9.638375 -9.775024      12.84734 
1 1 1 -29 9  30 o 15.01438 6.749026 1.307985       20.72321 -2.554169      27.83172 6.113407       31.04495 16.13142 7.464543 17.78162 8.099405 -1.650198      11.01453 
1 1 1 -29 9  31 o 19.67990 8.252375 22.30931       26.78622 47.34000       47.66790 10.75771       32.38251 23.71983 10.47405 18.51907 8.370304 5.200756       13.40775 
1 1 1 -29 9  32 o 19.24394 8.214796 19.51330       27.33902 -16.47000      49.66077 35.16094       32.74820 18.36299 8.901718 22.20632 9.203207 -3.843332      12.80389 
1 1 1 -29 9  33 o 21.75953 8.730105 33.47504       28.33102 -2.252000      49.24623 51.14864       34.63673 19.10372 9.160073 24.80192 9.748162 -5.698200      13.37661 
1 1 1 -29 9  34 o 19.13958 7.762301 21.75049       22.66524 26.97619       30.29612 15.10799       34.15707 20.56134 8.707414 19.12905 8.625849 1.432293       12.25660 
1 1 1 -29 9  35 o 22.73746 8.520094 37.67116       25.60629 40.41030       30.15482 30.59000       48.48439 22.99472 9.077869 21.63498 9.954102 1.359739       13.47189 
1 1 1 -29 9  36 o 18.96313 8.366678 17.32692       30.35619 17.32692       30.35619 0.000000       0.000000 18.96313 8.366678 ?        ?        ?              ?        
1 1 1 -29 9  37 o 14.69242 6.929584 -9.459140      25.93802 2.604263       31.27666 -36.03000      46.41819 17.09703 7.911951 16.45553 8.107523 0.6415024      11.32832 
1 1 1 -29 9  38 o 50.27296 7.600226 166.6786       36.23333 158.0000       49.49536 176.7000       53.18688 40.76088 11.75809 42.43726 12.17229 -1.676380      16.92386 
1 1 1 -29 9  39 o 16.90008 7.596443 8.101520       26.25193 -11.66000      40.65957 22.22850       34.37774 17.06871 8.220037 19.72326 8.791522 -2.654549      12.03577 
1 1 1 -29 9  40 o 26.31869 8.966909 55.97156       27.66196 36.50675       32.98589 102.1000       50.77938 21.52575 9.099347 29.02558 11.67306 -7.499826      14.80062 
1 1 1 -29 9  41 o 13.84831 6.702399 -19.71337      27.86560 -8.412000      50.20209 -24.74585      33.50018 17.90069 8.738657 14.62301 7.138564 3.277675       11.28376 
1 1 1 -29 9  42 o 14.71537 6.846296 -1.542711      23.90052 13.32768       33.15872 -17.62266      34.48092 17.81202 8.208462 15.14665 7.359942 2.665370       11.02486 
1 1 1 -29 10 1  o 48.73329 3.950980 122.5588       18.68526 96.97862       30.00563 138.7617       23.88074 40.39832 7.871149 51.24859 4.817059 -10.85027      9.228166 
1 1 1 -29 10 2  o 51.05640 3.788621 133.9148       18.79887 126.8936       29.97754 138.4655       24.13391 47.50070 6.627682 51.14357 4.880021 -3.642872      8.230478 
1 1 1 -29 10 3  o 29.83911 5.744480 49.24352       16.16932 76.80997       27.09018 33.98804       20.15275 35.75855 7.945981 23.96477 7.630966 11.79379       11.01682 
1 1 1 -29 10 4  o 14.89331 6.209280 5.621393       15.03422 -1.427150      25.10983 9.560231       18.77060 16.68624 7.470338 16.96339 6.992922 -0.2771530     10.23264 
1 1 1 -29 10 5  o 15.32800 6.327695 6.903030       15.39830 2.813998       25.16262 9.351061       19.46946 17.34695 7.636924 17.08506 7.089808 0.2618828      10.42056 
1 1 1 -29 10 6  o 28.00419 6.217254 44.44950       16.59792 57.89457       26.63349 35.91204       21.22322 30.33736 8.584845 24.44840 7.835962 5.888968       11.62333 
1 1 1 -29 10 7  o 42.51434 4.479075 95.09821       18.35957 97.19398       28.47396 93.60689       24.01939 40.69368 7.421874 40.95121 6.184815 -0.2575302     9.661063 
1 1 1 -29 10 8  o 37.79550 5.486329 78.01352       19.70432 121.6198       27.97178 35.06000       27.76163 46.60677 6.292049 24.06816 8.899790 22.53861       10.89936 
1 1 1 -29 10 9  o 25.58064 7.437944 39.43795       19.73408 38.26000       46.67962 39.69428       21.77569 25.40798 10.78616 25.43142 7.909972 -0.2343369E-01 13.37568 
1 1 1 -29 10 10 o 41.76194 4.523917 92.22031       18.19779 99.66496       27.37217 86.32338       24.36129 41.44899 6.995402 38.81343 6.651480 2.635555       9.652866 
1 1 1 -29 10 11 f 29.62424 6.167539 49.93597       17.30186 57.42385       25.55095 43.59495       23.51296 30.12404 8.367342 26.35767 8.222796 3.766373       11.73145 
1 1 1 -29 10 12 o 26.23964 6.704704 40.38898       17.28192 18.52678       25.17853 59.86287       23.76346 20.02517 8.159122 31.24131 7.796351 -11.21614      11.28514 
1 1 1 -29 10 13 o 41.02273 4.880296 90.33572       19.21274 62.15077       27.86443 115.8795       26.52673 30.89223 8.794167 45.44429 6.118791 -14.55206      10.71340 
1 1 1 -29 10 14 o 69.42654 3.634006 247.8941       24.60950 190.5268       34.34154 308.4526       35.28375 58.34538 6.103413 76.17896 4.755598 -17.83358      7.737400 
1 1 1 -29 10 15 o 24.11482 8.266878 36.50248       23.51898 39.54595       27.15290 27.36000       47.06126 24.77147 8.853563 23.58961 10.41227 1.181856       13.66752 
1 1 1 -29 10 16 o 13.12248 6.278988 -21.90238      22.87557 3.453251       25.97951 -109.4000      48.26049 17.29767 7.680469 14.52899 7.322599 2.768680       10.61179 
1 1 1 -29 10 17 f 39.31464 7.083507 91.68893       26.25646 94.19324       30.57820 84.66000       51.22860 38.55805 8.344582 31.35637 11.98217 7.201679       14.60152 
1 1 1 -29 10 18 o 48.77563 4.758830 127.7497       22.43142 90.65839       31.78688 164.5435       31.65914 37.12025 8.869857 53.93865 6.103553 -16.81840      10.76697 
1 1 1 -29 10 19 o 24.99309 7.613768 39.16351       20.30330 45.64149       29.09681 33.01622       28.34438 25.86200 9.173263 22.98024 8.878823 2.881760       12.76645 
1 1 1 -29 10 20 o 18.14549 7.448192 14.36265       21.17543 7.027000       32.29056 19.89756       28.04864 18.93193 8.473886 20.28979 8.471848 -1.357864      11.98244 
1 1 1 -29 10 21 o 20.50160 7.810789 24.21023       21.72680 34.18000       34.70340 17.78328       27.86324 23.26653 9.540925 19.81617 8.369150 3.450359       12.69141 
1 1 1 -29 10 22 o 15.27080 6.735722 2.351376       19.66184 9.240371       27.73359 -4.610081      27.87907 18.28546 8.034977 16.38721 7.542730 1.898252       11.02060 
1 1 1 -29 10 23 o 15.26165 6.700056 3.161099       19.24328 0.6921966      26.99588 5.711481       27.43773 16.82225 7.619081 17.63096 7.856826 -0.8087120     10.94441 
1 1 1 -29 10 24 o 31.98892 6.971033 62.52977       21.20931 25.80624       29.17728 103.6765       30.88447 21.13545 8.716222 40.06534 8.152949 -18.92989      11.93495 
1 1 1 -29 10 25 o 35.94349 6.336133 76.11799       21.47781 74.65749       29.80919 77.69471       30.97263 32.57300 9.034004 33.00551 9.229014 -0.4325142     12.91464 
1 1 1 -29 10 26 o 42.86275 5.448827 103.5649       22.34471 99.50870       30.69879 108.1352       32.58596 38.78951 8.333912 40.21893 8.541495 -1.429417      11.93362 
1 1 1 -29 10 27 o 16.99295 7.153034 11.75451       20.24572 3.887095       27.18078 21.55904       30.34306 17.01942 7.682786 20.15507 8.630288 -3.135656      11.55453 
1 1 1 -29 10 28 o 53.67105 4.642166 157.5969       24.14796 142.2042       32.16415 177.4809       36.55676 47.87314 7.076950 53.34994 7.182798 -5.476795      10.08344 
1 1 1 -29 10 29 o 36.16742 6.404039 78.81911       21.84176 80.97938       29.53448 76.21151       32.44860 33.64932 8.850326 31.29615 9.642640 2.353174       13.08850 
1 1 1 -29 10 30 o 15.74427 6.905951 6.207580       20.40421 22.04182       27.03958 -14.73317      31.09549 19.62240 8.263589 15.49060 7.386962 4.131795       11.08396 
1 1 1 -29 10 31 o 22.37013 8.635962 35.43505       26.79884 -10.23000      46.82479 57.67867       32.68035 18.42739 8.860772 26.64598 9.688093 -8.218597      13.12907 
1 1 1 -29 10 32 o 20.92826 8.515151 29.09113       27.37807 81.44000       50.41040 7.190344       32.60592 27.69315 11.44228 18.03625 8.247860 9.656900       14.10507 
1 1 1 -29 10 33 o 13.24253 6.448189 -28.08010      26.84675 -90.77000      48.17653 0.1555904      32.33226 14.43615 7.280857 17.14739 7.972734 -2.711234      10.79701 
1 1 1 -29 10 34 o 37.57676 6.980227 89.15810       24.72920 72.11230       34.02470 108.2447       36.00391 29.22143 9.945053 37.26899 9.756922 -8.047558      13.93204 
1 1 1 -29 10 35 o 20.58963 8.347376 28.24292       26.19987 58.20947       31.45987 -39.58000      47.32895 26.62362 9.528255 16.48133 8.132833 10.14228       12.52720 
1 1 1 -29 10 36 o 41.70728 7.395075 112.6460       29.08455 72.94310       34.39372 212.3000       54.48983 29.20597 9.997500 49.48644 11.47303 -20.28048      15.21777 
1 1 1 -29 10 37 o 19.28455 8.193072 22.12449       26.96931 -8.389641      32.91400 84.47000       47.04709 16.18085 7.682992 27.93482 11.23536 -11.75397      13.61109 
1 1 1 -29 10 38 o 16.36600 7.433581 4.559981       25.92091 -7.236000      41.15898 12.31374       33.36980 17.50249 8.387506 18.42541 8.394407 -0.9229164     11.86660 
1 1 1 -29 10 39 o 14.15189 6.769400 -14.66435      26.54287 -20.14879      31.60376 -1.534000      48.90023 14.77760 7.148703 18.55139 8.954166 -3.773790      11.45779 
1 1 1 -29 10 40 o 16.28989 7.527737 2.884245       28.16529 -21.93000      49.95526 14.44823       34.10237 17.24606 8.480109 18.40084 8.422278 -1.154781      11.95186 
1 1 1 -29 10 41 o 17.00782 7.436439 13.79510       23.49255 12.19775       32.35186 15.57699       34.16956 17.74896 8.153330 18.29964 8.396302 -0.5506821     11.70362 
1 1 1 -29 10 42 o 14.93179 6.891248 0.7489736      23.49362 -38.90767      32.41660 44.62373       34.09705 13.33554 6.607643 22.11316 9.294085 -8.777620      11.40355 
1 1 1 -29 11 1  o 27.35970 6.199323 42.55304       16.21643 29.27507       26.95969 50.08074       20.29927 22.72403 8.690157 29.10345 7.172581 -6.379421      11.26786 
1 1 1 -29 11 2  o 31.03587 5.653244 53.25106       16.54133 73.17998       28.35136 42.96622       20.36718 34.21594 8.502583 26.73443 7.487039 7.481512       11.32915 
1 1 1 -29 11 3  o 40.36842 4.523247 86.00119       17.56605 112.7923       29.47319 71.24171       21.87596 44.20678 7.047799 35.34317 6.565087 8.863613       9.631814 
1 1 1 -29 11 4  o 48.84339 4.069906 123.9338       19.28125 86.27365       29.89355 150.7625       25.23113 37.34405 8.384009 53.23340 4.897079 -15.88935      9.709428 
1 1 1 -29 11 5  o 18.98199 6.784715 19.30711       15.94590 18.02959       26.35262 20.04506       20.02873 20.21053 8.303820 19.71584 7.502233 0.4946880      11.19093 
1 1 1 -29 11 6  o 17.29841 6.920952 12.43794       17.75426 13.82710       25.75478 11.18000       24.50822 19.26629 8.086270 18.51929 7.836618 0.7469940      11.26057 
1 1 1 -29 11 7  o 21.89834 7.576981 27.96475       19.77271 54.75000       45.98098 21.88802       21.90106 27.75730 11.12686 20.38627 7.823394 7.371021       13.60193 
1 1 1 -29 11 8  o 18.60396 6.853150 18.04982       16.43450 38.01782       26.17254 5.051289       21.11668 24.65915 8.704437 16.51269 7.136390 8.146463       11.25590 
1 1 1 -29 11 9  o 17.86292 6.799647 15.62113       16.45675 -0.2208270     25.09725 27.57052       21.79689 16.68312 7.468737 21.81543 7.914958 -5.132315      10.88249 
1 1 1 -29 11 10 o 24.71480 6.923443 36.21621       17.41359 26.47726       25.43430 44.80923       23.89114 21.77721 8.411583 26.64082 8.285150 -4.863607      11.80671 
1 1 1 -29 11 11 o 23.81755 6.878238 33.59742       16.92851 21.71491       24.85508 43.87887       23.12002 20.61771 8.208827 26.42228 8.139118 -5.804564      11.55985 
1 1 1 -29 11 12 o 46.03857 4.471794 112.1132       19.89806 85.37591       28.59625 137.2100       27.70511 37.12413 8.097934 49.76770 5.795616 -12.64357      9.958198 
1 1 1 -29 11 13 o 27.44451 6.976992 45.00108       18.78059 42.44687       28.01594 47.08561       25.30935 25.48455 9.004864 26.96223 8.547746 -1.477678      12.41578 
1 1 1 -29 11 14 o 15.62857 7.039046 -1.943418      22.66903 -18.84855      26.48741 44.34000       43.82712 14.61166 6.924574 25.62416 10.63561 -11.01250      12.69117 
1 1 1 -29 11 15 o 26.99822 8.381745 47.31955       24.46326 39.68208       28.57104 68.30000       47.35420 24.63234 9.042384 29.09463 11.40929 -4.462292      14.55804 
1 1 1 -29 11 16 o 19.39769 8.000104 17.11589       24.58204 -0.7652016     28.45011 69.79000       48.82985 17.23175 7.811350 29.15642 11.53877 -11.92467      13.93414 
1 1 1 -29 11 17 o 13.22056 6.088487 -7.610614      18.19993 -4.781562      27.23090 -9.894610      24.46748 16.37262 7.505948 14.96799 6.951288 1.404625       10.23033 
1 1 1 -29 11 18 o 21.22064 7.527505 26.90474       19.59325 -0.8996087     28.68721 51.21567       26.82457 17.18812 7.812173 27.55996 8.807084 -10.37184      11.77263 
1 1 1 -29 11 19 o 58.11117 4.756325 181.5197       26.81787 146.9000       42.82347 203.8571       34.39827 46.16636 9.781059 60.17738 5.916193 -14.01102      11.43112 
1 1 1 -29 11 20 o 39.18161 6.339357 88.92416       23.48282 52.48000       36.70339 114.1811       30.55504 26.58869 10.14662 43.22712 7.492781 -16.63844      12.61331 
1 1 1 -29 11 21 o 12.41387 5.876559 -14.91709      18.97650 10.63120       26.50913 -41.76888      27.17698 18.28801 7.949251 12.64952 6.226759 5.638493       10.09768 
1 1 1 -29 11 22 o 16.33129 6.935905 8.486613       19.31603 26.00946       27.05034 -9.744618      27.59169 21.10872 8.509012 15.64514 7.304530 5.463577       11.21425 
1 1 1 -29 11 23 o 17.83042 7.235786 15.04668       19.70872 7.312581       27.34780 23.40399       28.42828 17.79064 7.890792 20.64109 8.566409 -2.850449      11.64680 
1 1 1 -29 11 24 o 21.46004 7.738605 29.02854       20.79606 10.54818       29.77754 46.62398       29.05587 18.60467 8.243793 25.44172 9.150706 -6.837057      12.31647 
1 1 1 -29 11 25 o 34.41396 6.631696 71.17249       21.52905 37.00665       29.56727 109.7285       31.40952 23.20099 9.039413 41.15998 8.084725 -17.95899      12.12740 
1 1 1 -29 11 26 o 14.40049 6.519501 -1.625710      19.74139 27.55365       26.79701 -36.25829      29.19382 21.03157 8.472191 13.43750 6.581869 7.594076       10.72842 
1 1 1 -29 11 27 o 31.85873 7.040158 63.71675       21.36873 27.07138       28.38587 111.6441       32.46267 20.83979 8.596037 40.61782 8.441000 -19.77803      12.04750 
1 1 1 -29 11 28 o 28.24820 7.571641 52.70164       21.36036 53.65821       29.03365 51.57295       31.53768 26.53464 9.181489 25.62558 9.483931 0.9090576      13.20018 
1 1 1 -29 11 29 o 15.46627 6.837177 4.647528       20.36670 8.915759       27.37476 -0.6441820     30.48065 17.53449 7.828560 16.83597 7.797945 0.6985188      11.04963 
1 1 1 -29 11 30 f 19.57663 7.639029 23.60789       21.14178 -1.020173      28.37935 54.32143       31.69219 16.37746 7.563977 26.00719 9.527358 -9.629730      12.16488 
1 1 1 -29 11 31 o 14.82769 6.740229 -0.7418126     21.36350 -25.48212      29.42074 26.85347       31.07195 14.17042 6.865118 20.71552 8.797344 -6.545100      11.15899 
1 1 1 -29 11 32 o 27.82310 8.997467 59.13404       27.93924 54.40000       49.37803 61.36342       33.88519 24.16833 10.66670 26.92523 9.853437 -2.756893      14.52132 
1 1 1 -29 11 33 o 14.71046 6.970912 -11.96572      26.83416 -6.709000      47.44203 -14.43862      32.53944 18.52887 8.911985 15.71054 7.509588 2.818326       11.65407 
1 1 1 -29 11 34 o 18.96339 8.535713 15.17533       33.27481 6.026000       48.80897 23.12000       45.48233 19.53316 9.297884 20.74948 9.580534 -1.216314      13.35055 
1 1 1 -29 11 35 o 21.52329 8.973103 33.24884       31.39496 29.02000       42.51555 38.32000       46.55762 21.17624 9.579213 22.26415 10.05224 -1.087910      13.88556 
1 1 1 -29 11 36 o 25.33035 9.683084 54.93858       33.46383 54.93858       33.46383 0.000000       0.000000 25.33035 9.683084 ?        ?        ?              ?        
1 1 1 -29 11 37 o 30.55637 9.740831 77.89974       32.82983 52.56000       43.21031 112.5000       50.49239 23.74024 10.23391 31.44195 11.92404 -7.701704      15.71355 
1 1 1 -29 11 38 o 36.43468 8.370261 94.11599       29.22250 55.47536       34.49187 192.4000       55.00928 25.07188 9.764674 44.20013 12.27732 -19.12825      15.68698 
1 1 1 -29 11 39 o 20.25892 8.515680 28.92529       28.62966 63.45000       51.42525 13.41845       34.46460 23.95923 10.71114 18.39742 8.437941 5.561811       13.63552 
1 1 1 -29 11 40 o 20.85614 8.082896 32.19848       23.54402 47.79956       32.78918 15.59357       33.82764 23.18562 9.360420 18.38881 8.406008 4.796812       12.58088 
1 1 1 -29 11 41 o 23.91525 8.389864 45.87395       24.28794 55.94085       33.62595 34.89299       35.11938 24.17782 9.573161 20.60008 9.047268 3.577742       13.17188 
1 1 1 -29 11 42 o 20.97567 8.578652 36.60209       27.96267 32.37122       33.04565 47.27000       52.47339 20.04298 8.790147 21.18518 9.949531 -1.142193      13.27629 
1 1 1 -29 12 1  o 28.40029 5.994419 45.61425       16.13965 26.58377       27.46780 55.64927       19.94610 22.03078 8.674253 30.89933 6.781333 -8.868551      11.01041 
1 1 1 -29 12 2  o 24.18085 6.634955 34.16786       16.17618 44.65780       27.15776 28.39977       20.13833 26.33858 8.885643 22.01927 7.645238 4.319304       11.72196 
1 1 1 -29 12 3  o 37.26960 5.063423 75.01197       17.99434 59.90881       28.67078 84.82766       23.11352 30.23967 9.011745 38.72227 6.315647 -8.482603      11.00450 
1 1 1 -29 12 4  f 38.79321 4.919163 80.80930       18.25960 47.08911       28.77095 103.5516       23.62796 26.82232 9.144763 43.34670 5.707362 -16.52438      10.77964 
1 1 1 -29 12 5  f 32.20617 6.479352 59.59747       19.71743 71.00605       27.99688 48.37000       27.77378 33.45449 8.526000 27.22295 8.981534 6.231539       12.38389 
1 1 1 -29 12 6  o 29.95439 7.062636 53.21601       20.36824 32.63000       47.69085 57.80875       22.52602 24.55567 10.66800 30.89876 7.520086 -6.343090      13.05213 
1 1 1 -29 12 7  o 43.66423 4.517222 100.9001       19.02802 74.46339       28.99091 120.9078       25.22066 34.11467 8.666254 46.93079 5.600661 -12.81612      10.31850 
1 1 1 -29 12 8  o 14.64655 6.322232 2.879955       16.53381 8.450089       26.31614 -0.7526565     21.25195 18.33783 7.945876 15.48703 6.907198 2.850796       10.52836 
1 1 1 -29 12 9  o 18.10067 6.881943 16.35146       16.84504 30.98374       25.79306 5.468894       22.24398 22.79142 8.548865 16.82740 7.298279 5.964020       11.24046 
1 1 1 -29 12 10 o 40.56484 4.911549 88.56623       19.10509 55.37720       28.47892 115.7253       25.76224 28.83852 9.057348 45.55226 5.917597 -16.71373      10.81913 
1 1 1 -29 12 11 o 39.92145 5.049067 86.33300       19.28929 93.21304       28.60796 80.59766       26.11987 39.14066 7.741441 36.49110 7.561431 2.649563       10.82151 
1 1 1 -29 12 12 o 34.77579 6.150158 68.84364       20.16914 54.17559       29.49466 81.72715       27.64230 28.23266 9.252624 36.26625 8.001822 -8.033587      12.23275 
1 1 1 -29 12 13 o 20.76507 8.025414 23.96719       23.16266 6.095643       27.40521 68.66000       43.33820 18.01233 7.948292 29.57698 11.08399 -11.56465      13.63929 
1 1 1 -29 12 14 o 25.52970 8.417034 42.23428       24.39372 5.654212       28.83545 134.3000       45.74604 18.21768 8.090146 42.65653 10.91308 -24.43885      13.58476 
1 1 1 -29 12 15 o 50.01937 5.871578 140.2546       28.20074 148.7212       34.56550 123.4000       48.76957 49.91217 7.290131 39.07251 11.77882 10.83965       13.85232 
1 1 1 -29 12 16 o 15.81125 6.773053 5.993206       18.70266 -2.659616      27.85300 13.09805       25.23890 16.77435 7.652582 18.65665 7.926075 -1.882303      11.01747 
1 1 1 -29 12 17 o 15.35171 6.707164 3.212103       19.07871 -7.649701      28.73232 11.77819       25.51590 16.34954 7.572073 18.44867 7.907153 -2.099125      10.94803 
1 1 1 -29 12 18 o 35.64679 6.787384 75.30412       22.81785 68.01000       38.64371 79.20849       28.27275 29.60035 10.56402 34.97050 8.371045 -5.370144      13.47861 
1 1 1 -29 12 19 o 16.87134 7.194424 8.827585       20.93007 10.52000       33.33946 7.726702       26.88907 19.47307 8.670271 17.94680 7.898026 1.526270       11.72827 
1 1 1 -29 12 20 o 29.85114 7.121480 54.73911       20.51650 68.72433       29.91982 42.32683       28.18707 31.32231 9.172979 24.82696 9.001680 6.495346       12.85200 
1 1 1 -29 12 21 o 17.05358 7.107189 11.50607       19.68563 16.77256       27.65662 6.097802       28.02644 19.41764 8.274847 17.78251 7.931452 1.635134       11.46216 
1 1 1 -29 12 22 o 37.00819 6.109573 79.43621       21.36011 59.84793       29.49601 101.0362       30.97365 28.82397 9.237736 39.35773 8.301635 -10.53377      12.41986 
1 1 1 -29 12 23 o 15.44472 6.781061 3.960171       19.71559 -3.301414      26.98639 12.27269       28.87324 16.16103 7.432197 18.70777 8.210176 -2.546740      11.07450 
1 1 1 -29 12 24 o 15.88152 6.862160 6.587800       19.51678 -12.03658      26.40448 29.01681       28.97622 14.95965 7.035798 21.58463 8.768323 -6.624977      11.24215 
1 1 1 -29 12 25 f 18.10798 7.259773 17.07848       19.57666 14.65190       25.99537 20.25775       29.75512 18.51594 7.959270 19.91706 8.537686 -1.401117      11.67228 
1 1 1 -29 12 26 o 17.85026 7.268610 16.15499       19.96800 24.82136       26.65703 5.075382       30.14084 20.34056 8.353837 17.63311 8.011768 2.707451       11.57476 
1 1 1 -29 12 27 o 23.40888 7.923206 37.42221       21.59367 3.739279       29.48998 76.35866       31.70646 17.25982 7.874133 31.57059 9.492888 -14.31077      12.33357 
1 1 1 -29 12 28 o 17.72198 7.309405 15.83195       20.52215 17.40424       28.09449 14.03322       30.04945 18.94990 8.210532 18.66365 8.275040 0.2862530      11.65715 
1 1 1 -29 12 29 o 20.21772 7.691781 26.21887       21.05116 35.92506       28.59089 14.72686       31.11008 22.33392 8.832336 18.84090 8.382905 3.493021       12.17716 
1 1 1 -29 12 30 o 17.29961 7.285812 13.58946       21.02125 13.53252       28.63308 13.65603       30.96017 18.38778 8.118731 18.69900 8.338498 -0.3112202     11.63806 
1 1 1 -29 12 31 o 18.21165 7.517898 17.87611       21.73486 12.04178       30.02471 24.29954       31.50410 18.24490 8.168416 20.18342 8.719701 -1.938524      11.94806 
1 1 1 -29 12 32 o 32.21295 8.797029 75.88115       28.51401 39.63000       50.29702 93.04970       34.61371 22.57476 10.29292 34.18710 9.823915 -11.61234      14.22862 
1 1 1 -29 12 33 f 12.71843 6.342581 -54.34966      31.84828 -87.50000      47.19011 -26.62000      43.15979 14.32318 7.221642 16.59136 8.100153 -2.268179      10.85194 
1 1 1 -29 12 34 o 19.29840 8.606833 18.28361       32.99525 11.08000       48.39630 24.54000       45.10232 19.83193 9.387142 20.80545 9.582665 -0.9735279     13.41439 
1 1 1 -29 12 35 o 10.79856 5.357162 -38.32442      21.55655 -33.05644      30.40125 -43.65125      30.57058 13.68432 6.705642 13.01300 6.442292 0.6713190      9.298858 
1 1 1 -29 12 36 o 14.81169 6.908228 -5.111727      24.57561 -45.70000      38.08284 23.85261       32.17072 14.44992 7.160174 19.83369 8.686370 -5.383765      11.25705 
1 1 1 -29 12 37 o 29.22131 9.778300 72.67825       32.89282 72.67825       32.89282 0.000000       0.000000 29.22131 9.778300 ?        ?        ?              ?        
1 1 1 -29 12 38 o 28.45974 10.35749 77.18279       37.36496 69.82000       52.79836 84.57000       52.88580 24.63385 10.94289 26.30877 11.33133 -1.674921      15.75265 
1 1 1 -29 12 39 o 20.29734 8.038121 29.47006       23.71072 19.29358       31.85570 42.11115       35.50426 18.78611 8.412032 22.11282 9.397821 -3.326712      12.61274 
1 1 1 -29 12 40 o 19.50906 7.937397 26.85830       23.78775 14.01568       33.58459 39.78753       33.69763 18.04220 8.295065 21.52784 9.152639 -3.485638      12.35228 
1 1 1 -29 12 41 o 17.04042 7.477554 14.52432       23.94385 1.114318       33.45576 28.60554       34.28283 16.53541 7.820242 19.69069 8.778036 -3.155279      11.75628 
1 1 1 -29 13 1  o 51.74295 3.901928 138.8071       19.61664 69.02218       30.69717 186.9756       25.50346 32.18846 9.252028 59.65128 4.398849 -27.46282      10.24450 
1 1 1 -29 13 2  o 69.20802 5.291865 258.9240       35.57665 279.8000       58.24485 246.5000       44.93275 66.06537 9.260936 65.04665 7.176332 1.018715       11.71600 
1 1 1 -29 13 3  o 45.94925 5.177944 114.2444       22.88350 102.9357       30.94051 127.9000       33.99968 41.06668 7.984808 46.05557 7.821465 -4.988892      11.17732 
1 1 1 -29 13 4  o 26.46389 8.492973 44.78605       24.92551 68.38000       47.71241 35.93000       29.23149 29.62174 11.49918 24.05206 9.083731 5.569689       14.65419 
1 1 1 -29 13 5  o 26.50676 6.783786 41.50400       17.67246 52.71058       28.43238 34.44876       22.55965 28.17642 9.073454 23.66612 8.097004 4.510298       12.16096 
1 1 1 -29 13 6  o 48.28940 4.254802 122.4374       19.90570 112.9428       30.71214 129.3151       26.13932 43.50339 7.482140 48.46726 5.613519 -4.963871      9.353824 
1 1 1 -29 13 7  o 25.27756 6.855133 37.99316       17.38570 17.52044       26.89067 52.69721       22.78938 19.98514 8.315980 29.11999 7.827656 -9.134851      11.42050 
1 1 1 -29 13 8  o 34.76003 5.672253 67.27367       18.63437 60.19599       28.57675 72.50951       24.57878 30.07617 9.005042 34.64595 7.467967 -4.569784      11.69877 
1 1 1 -29 13 9  o 26.27370 6.910558 41.26247       18.00658 33.83132       27.44148 46.88157       23.86231 23.38657 8.808056 27.06467 8.256002 -3.678097      12.07242 
1 1 1 -29 13 10 o 38.79932 5.390733 82.83900       19.92060 59.60590       30.46409 100.1942       26.32989 29.44842 9.382821 41.55382 6.701297 -12.10541      11.53017 
1 1 1 -29 13 11 o 13.52624 6.385179 -15.87283      22.11141 -16.53712      27.13498 -14.56000      38.14633 15.00916 7.081624 17.82663 8.406524 -2.817465      10.99177 
1 1 1 -29 13 12 f 14.21679 6.655809 -12.93021      23.16821 6.665990       28.57867 -50.50000      39.57086 18.30488 8.095247 15.42511 7.577279 2.879774       11.08820 
1 1 1 -29 13 13 o 20.63210 8.128477 23.27453       24.13298 26.25828       29.19701 16.84000       42.87613 21.71593 8.809011 21.73371 9.743482 -0.1778603E-01 13.13522 
1 1 1 -29 13 14 o 37.49374 5.861028 79.35660       20.80617 21.16563       30.85655 127.8721       28.17472 20.91083 8.818069 47.33382 6.232375 -26.42299      10.79819 
1 1 1 -29 13 15 o 10.96826 5.336072 -25.72179      18.27386 -34.78298      27.83692 -18.85985      24.22435 13.44158 6.549778 13.81148 6.567495 -0.3698959     9.275322 
1 1 1 -29 13 16 o 33.17610 7.024122 66.23162       22.09841 78.30000       37.67859 59.90365       27.28365 32.06293 10.45470 29.82043 8.766761 2.242500       13.64393 
1 1 1 -29 13 17 o 14.51417 6.604459 -4.131675      20.57705 -47.38000      34.29148 20.20348       25.72283 14.25955 7.014430 20.00399 8.209845 -5.744440      10.79832 
1 1 1 -29 13 18 o 24.04559 7.941197 37.16980       21.71050 -16.77000      35.01064 70.87123       27.67384 16.73912 7.941059 32.66650 8.555074 -15.92738      11.67260 
1 1 1 -29 13 19 o 41.29913 5.485606 95.48023       21.62753 74.17599       31.69717 114.0385       29.58394 32.19680 9.444915 43.31846 7.231916 -11.12167      11.89567 
1 1 1 -29 13 20 o 14.88796 6.615028 1.128432       19.30471 -2.170627      28.01014 4.113329       26.64310 16.64009 7.622600 17.20084 7.698298 -0.5607452     10.83364 
1 1 1 -29 13 21 o 12.25072 5.836060 -16.77026      19.30805 -39.35944      27.58279 4.933509       27.03682 12.87152 6.323551 17.35412 7.761800 -4.482599      10.01163 
1 1 1 -29 13 22 o 18.69292 7.428155 18.66869       20.31441 25.24986       28.21597 11.58620       29.27090 20.83031 8.578979 18.64941 8.222523 2.180897       11.88313 
1 1 1 -29 13 23 o 18.76879 7.406329 19.15783       20.06432 -1.466443      26.72218 45.81245       30.37868 16.31155 7.462012 25.04504 9.300787 -8.733492      11.92419 
1 1 1 -29 13 24 o 22.94770 7.644191 34.51398       20.10562 20.05537       26.67301 53.53886       30.59635 19.55910 8.220404 26.57503 9.408549 -7.015926      12.49383 
1 1 1 -29 13 25 o 19.71572 7.498057 23.64757       19.99960 38.25608       26.80541 5.304345       30.03707 23.23472 8.715045 17.64486 8.009563 5.589859       11.83660 
1 1 1 -29 13 26 o 16.14890 6.962167 8.541163       20.00230 13.29567       26.64071 2.397678       30.28311 18.15624 7.929217 17.21637 7.901169 0.9398670      11.19379 
1 1 1 -29 13 27 o 30.53323 7.311588 60.32653       21.56284 31.86349       28.79788 96.64771       32.53119 21.58097 8.750667 36.39910 9.143779 -14.81813      12.65634 
1 1 1 -29 13 28 o 20.40633 7.625237 27.01728       20.48055 16.95859       27.69704 39.15267       30.42212 18.76069 8.140282 22.87192 9.089747 -4.111227      12.20195 
1 1 1 -29 13 29 o 16.85168 7.162461 11.77654       20.62589 24.45606       28.34160 -2.500725      30.07429 20.13165 8.468086 16.52321 7.684820 3.608437       11.43525 
1 1 1 -29 13 30 o 18.70041 7.599648 20.03134       21.77686 24.33408       30.52689 15.57280       31.07467 20.14971 8.642752 18.87748 8.389899 1.272226       12.04523 
1 1 1 -29 13 31 o 19.37117 7.717041 23.13124       21.97879 16.52215       30.84302 29.94984       31.32808 18.92716 8.388167 21.03867 8.879285 -2.111507      12.21487 
1 1 1 -29 13 32 o 19.70190 8.141516 24.09653       25.52597 26.35004       31.51702 19.80000       43.51861 20.38741 8.763827 20.27504 9.365011 0.1123714      12.82607 
1 1 1 -29 13 33 o 26.37252 9.817260 59.65443       33.88464 47.84000       49.46516 70.10000       46.51136 23.23658 10.43747 26.19195 10.92079 -2.955362      15.10644 
1 1 1 -29 13 34 o 20.29647 8.398886 27.06167       27.21692 36.84000       50.60726 23.08251       32.28317 22.07708 10.16193 19.87840 8.703859 2.198677       13.37991 
1 1 1 -29 13 35 o 22.61808 9.233628 40.81101       32.32341 0.000000       0.000000 40.81101       32.32341 ?        ?        22.61808 9.233628 ?              ?        
1 1 1 -29 13 36 o 20.73063 8.496662 30.32772       27.50458 -2.424695      32.65463 110.3000       51.02615 16.64239 7.826316 30.75041 11.90429 -14.10802      14.24652 
1 1 1 -29 13 37 o 32.52357 9.725883 87.43840       33.35045 57.53000       43.66820 129.3000       51.66264 24.17550 10.35258 33.55834 12.18397 -9.382835      15.98828 
1 1 1 -29 13 38 o 19.88924 8.677958 26.65002       31.84537 26.65002       31.84537 0.000000       0.000000 19.88924 8.677958 ?        ?        ?              ?        
1 1 1 -29 13 39 o 27.05354 8.980842 60.57554       27.75696 37.12109       33.20357 115.0000       50.57888 21.23473 9.058526 30.21384 11.80805 -8.979111      14.88244 
1 1 1 -29 13 40 o 18.86878 7.809850 24.53669       23.54047 28.05584       32.73126 20.76596       33.88101 19.58478 8.662254 18.67752 8.489451 0.9072590      12.12870 
1 1 1 -29 13 41 o 18.31226 8.031339 21.68281       27.58831 4.788951       33.20221 59.36000       49.58404 16.69971 7.865178 22.29578 10.18634 -5.596066      12.86944 
1 1 1 -29 14 1  o 29.98312 7.471635 54.86144       21.84805 3.959836       28.61618 126.0000       33.82972 18.03085 8.030111 45.47275 7.886217 -27.44190      11.25500 
1 1 1 -29 14 2  o 31.51708 7.061071 59.18147       21.24180 30.92447       28.72698 93.27000       31.55230 22.82162 8.904761 38.18757 8.643340 -15.36594      12.40976 
1 1 1 -29 14 3  o 33.48930 6.747953 65.61665       21.35468 29.48000       49.32872 73.95080       23.68954 24.00500 10.62487 35.30148 7.102056 -11.29648      12.77995 
1 1 1 -29 14 4  o 23.28145 7.119858 32.59085       17.73205 32.19732       27.18219 32.88239       23.39550 23.00922 8.743556 23.11728 8.222975 -0.1080589     12.00280 
1 1 1 -29 14 5  o 36.70256 5.385664 74.17002       18.77299 23.41655       28.13204 114.9157       25.20629 21.20099 8.629560 45.41638 5.802441 -24.21539      10.39892 
1 1 1 -29 14 6  o 37.77882 5.243638 78.14043       18.86837 16.67323       28.36753 126.9107       25.26837 19.96242 8.438411 48.04715 5.470129 -28.08473      10.05630 
1 1 1 -29 14 7  o 27.59631 6.702080 45.08337       17.92104 75.85739       28.04518 23.84538       23.29823 34.44474 8.395736 20.76468 8.042468 13.68006       11.62625 
1 1 1 -29 14 8  o 52.66420 4.162523 145.6047       21.28310 145.5693       33.22959 145.6292       27.71346 49.76221 7.016647 51.30035 5.610425 -1.538132      8.983886 
1 1 1 -29 14 9  o 41.35596 5.256678 93.77545       20.79905 103.9127       32.55677 86.78503       27.03537 40.30910 8.518566 37.69553 7.590038 2.613571       11.40941 
1 1 1 -29 14 10 o 34.16103 7.727628 72.24973       25.23291 68.61108       31.87245 78.36000       41.30242 31.32087 9.539074 31.63923 10.95075 -0.3183670     14.52284 
1 1 1 -29 14 11 o 16.89220 7.408865 5.053885       23.47991 -5.580003      29.68653 22.82000       38.37157 16.87009 7.771652 21.98622 9.560232 -5.116129      12.32058 
1 1 1 -29 14 12 o 33.17331 7.896368 69.22742       25.26875 41.72765       31.33113 120.4000       42.73958 24.86183 9.401004 40.37985 10.65894 -15.51803      14.21238 
1 1 1 -29 14 13 o 19.89428 7.422846 22.42381       19.39335 -3.572549      29.46158 42.30109       25.76192 16.99011 7.795824 25.22649 8.651967 -8.236372      11.64609 
1 1 1 -29 14 14 o 18.57097 7.375792 17.08456       20.01887 21.04818       30.92278 14.22490       26.26579 20.81006 8.804144 18.98581 8.076542 1.824251       11.94753 
1 1 1 -29 14 15 o 30.44616 7.484355 57.66769       22.14457 61.08000       38.20294 55.94097       27.17588 28.18484 10.43683 28.67815 8.822433 -0.4933014     13.66611 
1 1 1 -29 14 16 o 13.85380 6.403890 -8.061708      20.40535 34.18000       34.34999 -31.09708      25.36609 23.18849 9.498684 12.95044 6.297321 10.23805       11.39655 
1 1 1 -29 14 17 o 11.94209 5.751738 -22.02446      19.91981 -13.11000      32.90995 -27.17880      25.02454 16.59555 7.820541 13.16721 6.367628 3.428336       10.08502 
1 1 1 -29 14 18 o 12.80510 5.999056 -11.34609      18.87645 11.54013       27.73291 -31.10131      25.76614 18.55180 8.096272 13.00897 6.330544 5.542827       10.27742 
1 1 1 -29 14 19 o 9.422087 4.720899 -45.47476      18.60430 -33.79148      27.13714 -55.83543      25.55500 13.18457 6.433865 11.18827 5.595068 1.996302       8.526395 
1 1 1 -29 14 20 o 25.61574 7.632771 42.50425       20.56877 62.47151       29.75596 24.23291       28.46427 29.34641 9.263803 20.72375 8.583685 8.622660       12.62924 
1 1 1 -29 14 21 o 27.75021 7.516795 49.56931       20.91854 72.81165       29.64073 26.50625       29.52618 32.01711 9.055312 21.12967 8.746202 10.88744       12.58947 
1 1 1 -29 14 22 o 18.61511 7.383941 18.62704       20.03894 -2.276339      27.33764 42.90190       29.45989 16.32654 7.498068 24.42862 9.141842 -8.102076      11.82346 
1 1 1 -29 14 23 o 14.04787 6.430640 -4.086723      19.88867 -34.59411      26.86301 32.92302       29.58763 12.90654 6.320098 22.14624 8.908999 -9.239705      10.92309 
1 1 1 -29 14 24 o 20.50718 7.632179 26.61700       20.47733 21.74474       27.46864 32.71188       30.72238 19.80148 8.333367 21.96357 8.988438 -2.162088      12.25712 
1 1 1 -29 14 25 o 24.33312 7.750098 40.15620       20.78589 46.98789       28.31013 32.16603       30.61654 24.95235 9.024900 21.69900 8.936583 3.253351       12.70084 
1 1 1 -29 14 26 o 25.36207 7.768182 43.79397       21.09791 47.47078       28.58531 39.39441       31.26886 24.96331 9.063054 22.98438 9.188540 1.978931       12.90613 
1 1 1 -29 14 27 o 13.61870 6.299551 -5.654684      19.79588 -9.426208      26.82180 -1.142231      29.33836 15.02314 7.073580 16.49440 7.643458 -1.471262      10.41432 
1 1 1 -29 14 28 o 21.23062 7.740555 30.06338       20.88231 3.413305       28.85145 59.38530       30.26319 16.98396 7.763561 27.41543 9.378160 -10.43148      12.17468 
1 1 1 -29 14 29 o 16.99632 7.232679 12.32917       21.07633 15.10135       28.97462 9.214124       30.71425 18.58766 8.188622 17.99147 8.139905 0.5961857      11.54606 
1 1 1 -29 14 30 o 16.99417 7.274524 12.28961       21.54608 19.01941       29.63976 4.748346       31.37583 19.14871 8.363120 17.43991 8.017973 1.708799       11.58575 
1 1 1 -29 14 31 o 21.06065 8.213268 30.56016       24.42817 33.32188       29.67944 24.76000       43.01159 21.55065 8.828733 20.74356 9.480997 0.8070889      12.95515 
1 1 1 -29 14 32 o 12.16190 5.944569 -28.65642      23.44366 -32.47319      28.68576 -20.98000      40.68155 13.31140 6.520989 16.54487 8.028911 -3.233465      10.34344 
1 1 1 -29 14 33 o 14.50639 6.889144 -12.41491      26.48683 -64.46000      50.02029 7.864358       31.22356 15.62635 7.816469 17.70938 8.088027 -2.083028      11.24782 
1 1 1 -29 14 34 o 20.66971 8.917879 28.87471       32.86613 0.000000       0.000000 28.87471       32.86613 ?        ?        20.66971 8.917879 ?              ?        
1 1 1 -29 14 35 o 12.77074 6.280896 -34.32589      27.45259 -94.08000      50.69900 -9.537935      32.65396 14.49708 7.330324 15.95510 7.597627 -1.458027      10.55735 
1 1 1 -29 14 36 o 20.56811 8.077961 29.43438       23.76894 14.12281       33.78529 44.43998       33.44601 18.59223 8.461128 23.06970 9.402179 -4.477468      12.64878 
1 1 1 -29 14 37 o 13.35158 6.347129 -12.15551      22.59605 9.412222       31.26140 -35.75148      32.69830 17.55532 8.045960 13.80723 6.803098 3.748093       10.53658 
1 1 1 -29 14 38 o 14.89329 7.159424 -14.03789      30.52077 -27.76000      39.61801 5.995000       47.86896 15.46566 7.594097 18.62164 8.955423 -3.155981      11.74180 
1 1 1 -29 14 39 o 16.08320 7.642348 -3.172997      32.68761 -3.172997      32.68761 0.000000       0.000000 16.08320 7.642348 ?        ?        ?              ?        
1 1 1 -29 14 40 o 27.84989 9.103313 66.46700       28.55885 15.50792       33.97426 189.2000       52.72540 18.03700 8.310935 41.71287 12.16615 -23.67587      14.73387 
1 1 1 -29 15 1  o 27.54302 8.122721 48.66190       23.39132 0.000000       0.000000 48.66190       23.39132 ?        ?        27.54302 8.122721 ?              ?        
1 1 1 -29 15 2  o 28.05251 6.715972 46.73298       18.19617 23.56236       29.08374 61.63654       23.32526 21.21471 8.720716 31.55291 7.635638 -10.33820      11.59111 
1 1 1 -29 15 3  o 50.23899 5.137635 137.3393       24.90912 104.9412       31.66883 189.9000       40.33693 40.87370 8.201023 56.14900 7.528864 -15.27530      11.13286 
1 1 1 -29 15 4  o 36.69512 5.455050 74.64474       18.99843 57.96864       29.71624 86.17300       24.70750 28.99004 9.270225 38.26008 6.848959 -9.270035      11.52585 
1 1 1 -29 15 5  o 25.03243 7.040430 38.02189       17.96933 56.27195       28.07066 25.35080       23.38985 28.83347 8.982808 21.05650 8.083828 7.776966       12.08466 
1 1 1 -29 15 6  f 21.35309 7.156847 27.16076       17.61967 23.39546       26.93502 29.97721       23.29532 20.93971 8.472971 22.20661 8.162777 -1.266895      11.76530 
1 1 1 -29 15 7  o 22.41524 7.208990 30.43877       17.95193 -5.958323      27.52711 57.37460       23.68059 16.30374 7.500912 30.10560 7.927985 -13.80186      10.91406 
1 1 1 -29 15 8  o 15.82995 7.088437 0.6951508E-02  22.62066 -23.79658      28.79567 38.37000       36.55636 14.69833 7.036178 24.24693 9.849092 -9.548606      12.10423 
1 1 1 -29 15 9  o 19.50193 7.886797 18.86230       23.32247 -10.02545      29.67558 65.53000       37.71816 16.32315 7.605866 29.36892 10.44150 -13.04577      12.91798 
1 1 1 -29 15 10 o 24.55347 8.442142 39.33966       24.53190 34.02783       31.09889 48.09000       39.91491 23.21539 9.201855 25.79219 10.35738 -2.576796      13.85458 
1 1 1 -29 15 11 o 17.96055 7.682888 10.88014       24.00283 4.155138       30.77187 21.33000       38.35861 18.24287 8.210157 21.62768 9.478206 -3.384815      12.53966 
1 1 1 -29 15 12 f 30.23763 6.947160 55.16618       20.12910 28.18535       32.03951 72.76034       25.87273 22.11582 9.128443 33.90216 7.937434 -11.78634      12.09675 
1 1 1 -29 15 13 o 18.63270 7.315025 17.79293       19.48473 -12.28407      30.29613 39.00967       25.44540 16.14942 7.576760 24.31607 8.582728 -8.166655      11.44860 
1 1 1 -29 15 14 o 19.79168 7.733846 21.52883       21.69475 6.664000       38.14181 28.63793       26.37720 19.69201 8.972660 21.77254 8.521913 -2.080530      12.37464 
1 1 1 -29 15 15 o 13.42337 6.286522 -11.80319      20.69847 -28.88000      34.26321 -1.989973      25.97351 15.51373 7.489770 16.26855 7.409501 -0.7548180     10.53553 
1 1 1 -29 15 16 o 34.72551 6.457862 71.08849       21.14276 30.39654       30.69720 107.8135       29.16256 22.17768 9.019135 41.90144 7.379807 -19.72376      11.65360 
1 1 1 -29 15 17 o 12.16780 5.802162 -17.15969      19.17973 5.220795       29.31670 -33.90667      25.35996 17.86402 8.028851 12.63702 6.178074 5.227000       10.13070 
1 1 1 -29 15 18 o 19.96069 7.457121 23.52249       19.58532 22.99786       28.69311 23.98015       26.79941 20.55746 8.574980 20.58061 8.405469 -0.2314568E-01 12.00759 
1 1 1 -29 15 19 o 16.78778 7.073224 10.63550       19.82570 28.12554       28.84408 -5.026977      27.29552 21.42192 8.731116 16.00972 7.402619 5.412193       11.44688 
1 1 1 -29 15 20 o 19.09227 7.459133 20.46545       20.17777 22.85583       28.09082 17.91743       29.00237 20.32965 8.482577 19.56537 8.408652 0.7642803      11.94402 
1 1 1 -29 15 21 o 24.82684 7.737943 40.65363       20.82709 17.11157       28.56445 67.37481       30.43208 19.33291 8.327245 30.19785 9.344120 -10.86494      12.51621 
1 1 1 -29 15 22 o 15.28079 6.767275 3.271902       20.03922 -26.01948      27.12524 38.46716       29.73348 13.66609 6.613860 23.21478 9.059055 -9.548684      11.21649 
1 1 1 -29 15 23 o 22.39775 7.731713 33.41265       20.58377 19.81176       27.72752 50.10981       30.72194 19.44627 8.286195 25.47654 9.372484 -6.030266      12.51018 
1 1 1 -29 15 24 o 24.44963 7.790401 40.73892       21.00089 59.24421       28.70572 19.42839       30.80475 27.91806 9.126760 19.56404 8.535551 8.354025       12.49613 
1 1 1 -29 15 25 o 37.15159 6.261413 82.86198       21.96092 77.86880       30.32961 88.36497       31.84029 32.27056 9.171090 34.45725 9.248019 -2.186687      13.02439 
1 1 1 -29 15 26 o 20.29954 7.702609 26.78368       21.07646 10.09933       28.95857 45.57635       30.73383 17.84686 8.003705 24.09400 9.262190 -6.247143      12.24122 
1 1 1 -29 15 27 o 16.68021 7.160466 10.76609       20.98582 -16.71037      28.91144 41.36477       30.50990 14.77679 7.067414 23.28332 9.149707 -8.506526      11.56138 
1 1 1 -29 15 28 o 17.32564 7.366893 13.38726       21.83536 5.671557       30.24681 21.78450       31.55442 17.46781 7.971132 19.83888 8.647402 -2.371067      11.76080 
1 1 1 -29 15 29 o 30.58417 7.619597 62.80558       22.72590 55.27216       31.77821 70.69139       32.51293 25.85470 9.528686 29.25770 9.720069 -3.403006      13.61160 
1 1 1 -29 15 30 o 11.78178 5.784949 -31.63516      22.98210 -45.81018      27.95588 -2.084000      40.36441 12.21854 6.068302 17.96803 8.524804 -5.749480      10.46406 
1 1 1 -29 15 31 o 22.39979 7.979160 35.44511       22.03612 36.76340       30.40548 33.98659       31.98179 22.11028 8.981929 21.57884 9.030818 0.5314331      12.73698 
1 1 1 -29 15 32 o 16.37683 7.167946 9.058496       21.87640 -14.66615      30.57516 33.94339       31.31388 15.18951 7.265651 21.53987 8.969293 -6.350353      11.54287 
1 1 1 -29 15 33 o 22.85627 8.524113 39.04366       25.56893 49.83000       41.17587 32.27403       32.62029 23.60069 10.07826 21.21187 9.011224 2.388811       13.51937 
1 1 1 -29 15 34 o 22.98216 8.820730 41.37346       27.84340 29.48000       51.42766 46.30537       33.11696 21.10394 9.891786 23.43574 9.426206 -2.331797      13.66385 
1 1 1 -29 15 35 o 12.15507 6.010794 -38.66719      26.34229 14.64000       50.16519 -58.96244      30.95328 19.86665 9.447972 12.14471 6.085677 7.721938       11.23831 
1 1 1 -29 15 36 o 24.24458 8.945233 48.07092       28.01897 30.64000       52.80760 54.90088       33.05561 20.93714 9.878716 24.81872 9.588577 -3.881588      13.76698 
1 1 1 -29 15 37 o 15.33696 6.964524 3.511010       22.73626 -17.61982      31.73620 25.79215       32.58858 14.85159 7.179439 19.66683 8.673354 -4.815244      11.25928 
1 1 1 -29 15 38 o 30.97519 8.124021 70.79389       24.93152 59.58972       34.15663 83.57021       36.47438 24.89684 9.711220 29.16617 10.27742 -4.269327      14.13977 
1 1 1 -29 15 39 o 24.20609 9.498214 56.54047       32.83644 19.64000       43.01056 108.1000       50.84094 18.90088 8.917173 28.08582 11.53605 -9.184937      14.58068 
1 1 1 -29 16 1  o 31.24256 6.187636 56.35377       18.25292 22.09609       28.73277 79.53318       23.63467 20.81564 8.623121 36.67779 6.834643 -15.86215      11.00321 
1 1 1 -29 16 2  o 37.18970 6.394186 80.04195       22.43740 24.86588       29.35286 157.6000       34.80074 21.39216 8.773737 51.55407 7.083414 -30.16190      11.27622 
1 1 1 -29 16 3  o 32.01604 6.553588 60.18129       19.84553 16.62000       35.48134 80.01342       23.94056 20.74793 9.103556 36.70884 6.916459 -15.96091      11.43294 
1 1 1 -29 16 4  o 26.24132 7.938346 44.05262       22.12413 23.69890       28.28533 76.13000       35.50903 21.05321 8.621224 32.16127 10.11544 -11.10805      13.29088 
1 1 1 -29 16 5  o 18.47724 7.092521 17.77729       18.00315 56.55264       27.84529 -10.07357      23.59898 28.81234 8.941963 14.65116 6.811862 14.16118       11.24100 
1 1 1 -29 16 6  o 11.27826 5.423908 -20.09633      17.55969 -0.3159083     26.20613 -36.21380      23.65557 16.65860 7.529591 12.00417 5.889053 4.654425       9.559063 
1 1 1 -29 16 7  o 13.86171 6.481655 -11.78631      21.86033 -20.10169      27.95955 1.291000       35.06295 14.76237 7.029847 18.66680 8.542529 -3.904427      11.06316 
1 1 1 -29 16 8  o 19.39640 7.865975 18.73631       23.27309 -11.09773      29.64021 66.70000       37.58213 16.13678 7.546102 29.45560 10.42755 -13.31882      12.87157 
1 1 1 -29 16 9  o 51.97516 5.454027 149.6224       27.33437 141.3860       34.74459 163.0000       44.28011 48.00771 7.650384 48.90339 9.593324 -0.8956795     12.27030 
1 1 1 -29 16 10 o 24.35558 7.504905 37.25959       19.65540 8.799358       31.12417 56.13933       25.34992 18.89335 8.396787 29.10570 8.420466 -10.21235      11.89161 
1 1 1 -29 16 11 o 26.94929 7.243859 45.01422       19.51731 56.66014       31.28638 37.59469       24.97218 28.05389 9.536646 23.94152 8.497636 4.112373       12.77331 
1 1 1 -29 16 12 o 23.48162 7.792935 35.12848       20.90005 100.9000       39.81564 10.11282       24.55504 36.36923 10.56218 17.84094 7.702904 18.52829       13.07266 
1 1 1 -29 16 13 o 29.73212 7.374550 55.15702       21.35703 52.33000       38.19668 56.44280       25.75999 26.25186 10.26089 28.95266 8.520274 -2.700800      13.33720 
1 1 1 -29 16 14 o 27.77038 7.741079 49.69017       21.82704 40.93000       37.93984 54.02398       26.68545 24.15473 9.948058 27.95644 8.765701 -3.801706      13.25901 
1 1 1 -29 16 15 o 23.46688 7.736087 35.53249       20.60661 15.02339       31.05955 51.65806       27.54099 19.53840 8.546581 27.05459 8.944565 -7.516188      12.37131 
1 1 1 -29 16 16 o 13.67894 6.320546 -7.312477      19.84876 -24.92123      29.73988 6.831368       26.65377 14.62280 7.039071 17.56185 7.789631 -2.939051      10.49890 
1 1 1 -29 16 17 o 34.31416 6.782818 71.25310       21.97405 45.16481       32.45399 93.33743       29.85983 24.81626 9.523484 37.59906 8.332595 -12.78280      12.65420 
1 1 1 -29 16 18 o 20.73677 7.636734 26.69643       20.40524 5.899701       29.15731 46.65889       28.56650 17.76705 7.994298 25.37872 9.079900 -7.611668      12.09766 
1 1 1 -29 16 19 o 18.13823 7.362973 16.46773       20.41499 43.13124       28.72136 -10.75940      29.02333 24.51672 9.054708 15.71407 7.386185 8.802650       11.68518 
1 1 1 -29 16 20 o 26.90700 7.746093 47.93599       21.50145 7.805855       29.77552 91.66446       31.08180 18.03646 8.100112 36.30884 8.831507 -18.27238      11.98363 
1 1 1 -29 16 21 o 26.22911 7.717624 45.87952       21.13651 33.30682       28.73554 60.70060       31.19930 22.10662 8.818206 27.98501 9.523207 -5.878387      12.97891 
1 1 1 -29 16 22 o 22.51493 7.777062 34.09200       20.82719 10.82535       28.20861 61.97516       30.88061 18.01143 7.999962 28.14703 9.475072 -10.13560      12.40066 
1 1 1 -29 16 23 o 20.55655 7.650257 27.34268       20.57407 18.87552       28.03882 37.21937       30.28283 19.18451 8.256661 22.59804 9.039668 -3.413527      12.24288 
1 1 1 -29 16 24 o 16.25197 6.999008 9.290863       20.17225 11.17996       27.52808 7.100028       29.64517 17.83999 7.914498 17.59010 7.973767 0.2498856      11.23478 
1 1 1 -29 16 25 o 14.27752 6.505990 -1.617364      20.05759 19.07415       27.80924 -24.05207      28.95698 19.05588 8.212247 14.10861 6.829344 4.947263       10.68087 
1 1 1 -29 16 26 o 21.17650 7.824680 30.12489       21.45242 34.56110       30.03210 25.50303       30.65408 21.94082 8.921604 20.35620 8.694349 1.584618       12.45740 
1 1 1 -29 16 27 o 34.65329 6.926651 75.63137       22.67291 81.27942       31.68228 69.70242       32.46056 32.43549 9.422427 29.22572 9.712322 3.209776       13.53186 
1 1 1 -29 16 28 o 19.67828 7.745611 24.72756       21.89543 26.56655       29.98254 22.62615       32.05042 20.33661 8.639297 19.82946 8.677676 0.5071564      12.24498 
1 1 1 -29 16 29 o 17.69448 7.650712 14.10625       24.29271 29.96472       29.90521 -16.66000      41.65369 20.90907 8.740345 16.99788 8.218946 3.911194       11.99770 
1 1 1 -29 16 30 o 28.89426 7.940913 58.26003       23.14977 60.16394       32.63086 56.33073       32.84764 26.61407 9.680125 25.73988 9.648923 0.8741932      13.66772 
1 1 1 -29 16 31 o 18.58405 7.618672 20.19321       22.12062 43.58972       31.58567 -2.328307      30.98941 23.27516 9.258056 16.47024 7.706556 6.804920       12.04585 
1 1 1 -29 16 32 o 17.32004 7.913118 6.704714       29.92342 2.912000       39.39054 11.88000       46.01337 18.15576 8.555839 19.55442 9.224801 -1.398664      12.58171 
1 1 1 -29 16 33 o 27.54254 9.036270 60.41742       28.12819 -31.45000      52.47145 97.46272       33.32030 17.26905 8.529318 35.13869 9.473466 -17.86964      12.74739 
1 1 1 -29 16 34 o 16.92661 7.658850 7.830127       27.19883 -41.03000      50.91096 27.34559       32.17536 16.58992 8.230706 20.21182 8.771806 -3.621895      12.02868 
1 1 1 -29 16 35 o 19.04133 8.203576 21.91575       27.73484 -49.81000      52.15988 50.18882       32.74806 16.25879 8.109515 23.98359 9.462671 -7.724800      12.46220 
1 1 1 -29 16 36 o 23.93742 8.915527 47.53816       27.95297 29.19000       53.80001 54.32291       32.71547 20.62244 9.800787 24.53148 9.522311 -3.909039      13.66491 
1 1 1 -29 16 37 o 29.40773 8.160713 64.48446       24.31709 18.27033       34.28418 111.2712       34.49592 18.57555 8.480392 36.89958 9.495734 -18.32403      12.73130 
1 1 1 -29 16 38 o 22.81778 8.247271 41.78392       23.63659 38.38039       33.14982 45.30380       33.71162 20.99972 9.006855 22.06385 9.255358 -1.064137      12.91453 
1 1 1 -29 16 39 o 14.52469 6.913333 -7.173116      26.97425 -16.96197      32.68061 13.75000       47.77904 14.70010 7.148051 18.47780 8.901677 -3.777703      11.41641 
1 1 1 -29 17 1  o 22.28801 7.079353 30.26029       17.35352 26.23820       27.59799 32.89053       22.31763 21.40274 8.606215 22.83353 8.039792 -1.430790      11.77732 
1 1 1 -29 17 2  f 22.26808 7.107006 30.23380       17.47225 4.715541       27.56746 47.36698       22.58864 17.65343 7.870556 27.08843 7.980421 -9.435003      11.20860 
1 1 1 -29 17 3  f 28.02583 6.674585 46.98408       18.04671 32.48896       28.45232 56.74084       23.34317 22.73806 8.864976 29.81112 7.881173 -7.073055      11.86173 
1 1 1 -29 17 4  o 24.30349 7.505873 37.08545       19.64716 39.38000       34.88027 36.01912       23.77814 24.17706 9.691307 23.61379 8.299992 0.5632744      12.75975 
1 1 1 -29 17 5  o 37.53325 6.921163 84.10677       24.49079 60.99183       31.40166 120.0000       39.13023 29.12292 9.547211 41.31418 9.821214 -12.19126      13.69691 
1 1 1 -29 17 6  o 55.20593 6.096671 173.7368       32.39650 150.3000       45.56330 197.7000       46.07206 45.47364 10.45522 54.97376 8.863369 -9.500122      13.70660 
1 1 1 -29 17 7  o 23.57740 8.342416 36.07749       24.05223 35.48225       30.72243 37.02000       38.65910 23.34479 9.179204 23.78834 9.940297 -0.4435482     13.53024 
1 1 1 -29 17 8  o 21.01275 7.500162 26.64771       19.47939 29.88984       30.98026 24.52786       25.05087 22.23772 9.054259 20.76671 8.249906 1.471012       12.24910 
1 1 1 -29 17 9  o 16.95682 7.005778 11.55037       18.89595 20.89195       29.53597 5.077700       24.58573 20.46208 8.627989 16.98462 7.510049 3.477453       11.43866 
1 1 1 -29 17 10 o 26.58781 7.379063 44.45086       19.88059 19.06446       31.87916 60.60703       25.43170 20.39732 8.791532 30.24447 8.327485 -9.847145      12.10942 
1 1 1 -29 17 11 o 21.50437 7.726418 28.65238       20.70860 -32.77000      36.85675 56.98876       25.03375 15.74719 7.641895 29.21581 8.341608 -13.46862      11.31287 
1 1 1 -29 17 12 o 29.70010 7.368193 55.44043       21.31685 76.07000       39.63673 47.04556       25.28482 30.44991 10.71504 26.19971 8.565732 4.250202       13.71801 
1 1 1 -29 17 13 o 26.42381 7.711357 45.31232       21.17696 72.24000       39.26805 34.26896       25.14724 29.64118 10.64081 22.80429 8.463371 6.836889       13.59616 
1 1 1 -29 17 14 o 24.80969 7.638808 39.83484       20.36790 -3.654654      31.18491 72.18802       26.89744 17.07435 7.901063 32.91908 8.339324 -15.84473      11.48787 
1 1 1 -29 17 15 o 12.97708 6.074502 -10.71749      19.28580 -24.38573      29.21173 -0.1566854     25.67731 14.48230 6.972670 16.26868 7.392988 -1.786377      10.16240 
1 1 1 -29 17 16 o 20.03239 7.563592 24.14632       20.26339 23.47708       29.43025 24.74956       27.94122 20.52507 8.631123 20.64220 8.522860 -0.1171265     12.12994 
1 1 1 -29 17 17 o 16.13736 6.961298 7.490613       20.02030 -10.00012      28.91757 23.59139       27.74478 15.75846 7.396206 20.39205 8.462905 -4.633585      11.23942 
1 1 1 -29 17 18 o 22.17187 7.728355 31.99086       20.58887 39.17696       29.25493 24.93863       28.98112 23.50637 9.036517 20.67990 8.621351 2.826469       12.48945 
1 1 1 -29 17 19 o 18.20071 7.359316 17.37102       20.30322 26.77706       27.61937 6.312088       29.94794 20.81113 8.520271 17.79072 8.044498 3.020412       11.71789 
1 1 1 -29 17 20 o 21.49234 7.753098 30.37417       20.87634 28.99500       28.52991 31.96375       30.62891 21.16271 8.661359 21.76476 8.948374 -0.6020489     12.45362 
1 1 1 -29 17 21 o 14.80097 6.644061 1.288201       20.00788 -12.28986      27.15188 17.42165       29.59679 14.85280 7.030590 19.11428 8.352382 -4.261482      10.91749 
1 1 1 -29 17 22 o 22.08107 7.793859 32.99106       20.98281 21.18226       29.08065 45.81564       30.30559 19.63144 8.428255 24.32477 9.234867 -4.693331      12.50273 
1 1 1 -29 17 23 f 20.06398 7.695334 25.85612       21.18175 16.84726       29.68150 35.20551       30.23726 18.91698 8.312425 22.05486 8.957922 -3.137884      12.22051 
1 1 1 -29 17 24 o 36.39540 6.605713 81.70551       22.66631 65.04931       31.77434 98.96348       32.34323 28.24225 9.610571 36.74325 9.052707 -8.500998      13.20282 
1 1 1 -29 17 25 o 19.86100 7.709976 25.07661       21.44865 26.97582       30.23942 23.15372       30.42740 20.56196 8.703083 19.94384 8.592484 0.6181221      12.23006 
1 1 1 -29 17 26 o 28.44396 7.754614 55.17183       22.17861 55.22631       31.26246 55.11664       31.46915 26.02351 9.473543 25.96017 9.496400 0.6333542E-01  13.41378 
1 1 1 -29 17 27 o 30.23783 7.752969 62.32720       23.05345 52.84702       31.79862 72.83054       33.47061 25.23492 9.486437 29.36624 9.864274 -4.131319      13.68563 
1 1 1 -29 17 28 o 20.37801 8.241510 27.72420       25.46897 -0.3389719     30.78551 88.59000       45.33823 16.69017 7.766760 29.20490 11.24372 -12.51473      13.66542 
1 1 1 -29 17 29 o 36.42001 6.905210 84.13242       23.71574 70.99475       33.02863 98.11489       34.07404 28.94754 9.799022 35.28807 9.608209 -6.340528      13.72365 
1 1 1 -29 17 30 o 19.59126 7.998239 24.46144       24.25381 44.12000       39.58849 12.64932       30.68719 22.84965 9.822191 18.18774 8.190929 4.661909       12.78932 
1 1 1 -29 17 31 o 15.35625 7.260623 -8.659824      28.80259 -14.59000      37.87191 -0.5241000     44.35898 16.46572 7.930553 18.39085 8.784553 -1.925138      11.83478 
1 1 1 -29 17 32 o 18.32142 7.992013 17.28549       26.99625 -30.64000      52.44378 34.56329       31.48871 17.28136 8.533851 21.37803 8.954827 -4.096676      12.36994 
1 1 1 -29 17 33 o 16.11654 7.086141 8.760616       21.59982 -19.17601      30.17544 38.11592       30.93213 14.55729 7.028207 21.97101 9.008409 -7.413723      11.42572 
1 1 1 -29 17 34 o 15.45623 6.990976 3.660794       22.63733 -28.50696      32.13586 35.34528       31.89355 14.21892 6.952121 21.38219 8.987924 -7.163275      11.36287 
1 1 1 -29 17 35 o 16.13499 7.429192 3.521050       27.07876 6.044000       52.56746 2.609767       31.59289 19.00333 9.199349 16.72124 7.810006 2.282087       12.06749 
1 1 1 -29 17 36 o 13.83420 6.661874 -16.10453      26.69485 -30.34000      51.06874 -10.75241      31.31353 16.68924 8.273614 15.24683 7.309023 1.442414       11.03968 
1 1 1 -29 17 37 o 17.77489 7.903920 17.37114       27.61481 -14.57000      50.83161 30.74506       32.89183 17.21902 8.483788 19.90389 8.748107 -2.684870      12.18622 
1 1 1 -29 17 38 o 14.85254 6.868145 1.020303       23.50366 -5.982303      33.80053 7.576303       32.70492 15.81925 7.586155 16.95740 7.928800 -1.138144      10.97340 
1 1 1 -29 18 1  o 27.49858 6.922519 46.18008       18.61735 14.24023       29.89867 66.40670       23.79289 19.40085 8.437475 32.50207 7.613134 -13.10122      11.36445 
1 1 1 -29 18 2  o 43.44865 4.826173 102.6101       20.17923 104.8396       32.54436 101.2176       25.72044 39.97425 8.574511 41.52905 6.543671 -1.554794      10.78619 
1 1 1 -29 18 3  o 55.25058 5.075490 167.1128       27.14220 110.9253       34.61544 256.8000       43.73360 40.67712 8.938389 65.77847 6.894763 -25.10136      11.28860 
1 1 1 -29 18 4  o 24.80313 8.216248 40.59595       23.23517 23.37014       31.42507 61.37000       34.51017 21.04178 8.887444 28.46686 9.999662 -7.425081      13.37834 
1 1 1 -29 18 5  o 27.36658 8.158329 49.44931       23.49450 44.83431       31.30627 55.40000       35.54917 25.14811 9.421321 27.02322 10.05627 -1.875116      13.78005 
1 1 1 -29 18 6  o 39.50392 7.758370 97.96584       28.92873 26.22000       40.04195 176.3000       41.84007 22.13024 9.691583 52.18478 8.482111 -30.05454      12.87917 
1 1 1 -29 18 7  o 37.82507 7.339320 88.09136       26.19282 51.49317       33.32946 147.2000       42.35687 26.34219 9.749533 45.72179 9.761505 -19.37959      13.79639 
1 1 1 -29 18 8  o 26.59509 8.462923 48.07593       24.78991 30.25380       31.62272 76.49000       39.92879 22.12480 9.093966 30.51152 10.75295 -8.386726      14.08283 
1 1 1 -29 18 9  o 27.03277 7.773820 47.56076       21.66682 -1.837000      40.03114 68.02764       25.76738 18.82839 8.793259 32.11868 8.176216 -13.29029      12.00716 
1 1 1 -29 18 10 o 23.16675 7.799281 34.79107       20.92327 -5.066000      38.44485 51.56513       24.94047 18.25016 8.553649 27.47808 8.451530 -9.227917      12.02469 
1 1 1 -29 18 11 o 31.16050 7.281660 60.72162       21.80789 50.97000       37.91424 65.54301       26.65937 25.65444 10.16291 31.06003 8.515839 -5.405588      13.25912 
1 1 1 -29 18 12 o 19.46998 7.478646 21.79806       20.02604 13.09212       31.53066 27.68445       25.92683 19.22148 8.501720 21.21585 8.404260 -1.994375      11.95453 
1 1 1 -29 18 13 o 34.77190 6.438818 71.98035       21.10808 69.16942       32.51528 74.02780       27.75042 30.17770 9.701704 32.96516 8.534131 -2.787458      12.92109 
1 1 1 -29 18 14 o 17.44848 7.178620 14.02545       19.72908 18.19100       30.51201 11.03256       25.86306 19.72217 8.550772 17.92490 7.820700 1.797268       11.58788 
1 1 1 -29 18 15 o 38.39688 6.003890 85.78160       21.82643 47.99439       32.19186 117.9317       29.69373 25.22040 9.530906 43.69871 7.192072 -18.47830      11.94002 
1 1 1 -29 18 16 o 16.65653 7.039307 10.54359       19.73297 -1.841720      28.31178 22.24447       27.51840 16.52194 7.603397 20.05564 8.383998 -3.533703      11.31826 
1 1 1 -29 18 17 o 17.01598 7.151682 12.15537       20.18891 18.81750       28.63242 5.568101       28.47111 19.45147 8.357203 17.42963 7.865949 2.021841       11.47676 
1 1 1 -29 18 18 o 18.13216 7.373688 17.23987       20.51741 22.47095       28.74680 11.80814       29.29292 19.99619 8.475568 18.36739 8.155494 1.628792       11.76211 
1 1 1 -29 18 19 o 21.40100 7.748111 30.38966       20.87307 -8.170524      28.58804 74.41610       30.54721 15.63514 7.343260 31.34944 9.291976 -15.71430      11.84332 
1 1 1 -29 18 20 o 36.27971 6.612007 80.79730       22.61544 74.67567       31.36720 87.42447       32.63670 30.99449 9.467805 33.82214 9.479612 -2.827656      13.39785 
1 1 1 -29 18 21 o 31.31183 8.453786 69.50224       26.51064 67.92599       31.81909 73.08000       47.93795 29.07337 9.614291 26.82789 11.12817 2.245480       14.70615 
1 1 1 -29 18 22 o 20.40893 7.741921 27.39049       21.28851 20.22681       29.34617 35.34785       30.92916 19.35101 8.387854 21.99564 9.012053 -2.644632      12.31151 
1 1 1 -29 18 23 o 13.35045 6.260923 -9.278168      20.64947 -22.81677      28.59055 5.485499       29.85607 14.10224 6.816502 17.31793 7.909128 -3.215686      10.44122 
1 1 1 -29 18 24 o 35.84299 6.748693 79.98562       22.80867 76.34522       31.98563 83.75191       32.53401 30.98942 9.578058 32.68320 9.563612 -1.693785      13.53521 
1 1 1 -29 18 25 o 16.90697 7.250725 12.04769       21.47908 -0.1022505     29.63346 25.49659       31.17731 16.55004 7.673595 20.21867 8.704178 -3.668634      11.60374 
1 1 1 -29 18 26 o 14.21459 6.588795 -4.831770      21.82291 9.892480       30.53908 -20.19622      31.19592 17.86632 8.096634 14.84659 7.162469 3.019734       10.81002 
1 1 1 -29 18 27 o 22.31796 8.481714 36.69777       25.58007 34.85490       31.33404 40.38000       44.29191 21.67872 8.994998 22.32705 9.963801 -0.6483307     13.42339 
1 1 1 -29 18 28 o 16.29800 7.164611 8.599748       22.07156 -8.161770      30.94819 25.94951       31.48656 15.84291 7.501261 20.16095 8.713652 -4.318036      11.49768 
1 1 1 -29 18 29 o 22.30049 8.415615 36.74857       25.07842 22.82000       40.47293 45.42936       31.95149 20.17995 9.213320 23.51400 9.324925 -3.334051      13.10876 
1 1 1 -29 18 30 o 13.02486 6.412001 -36.01012      28.83584 -20.52000      37.90111 -57.30000      44.43355 16.00386 7.762461 14.98087 7.474113 1.022989       10.77581 
1 1 1 -29 18 31 o 19.24586 7.694220 23.98113       21.92612 29.22722       30.92506 18.67823       31.09206 20.45148 8.733804 18.86592 8.388063 1.585567       12.10946 
1 1 1 -29 18 32 o 11.11348 5.465629 -29.86920      20.78236 -31.71626      28.95046 -27.90537      29.85166 13.27861 6.514397 13.77220 6.726561 -0.4935923     9.363973 
1 1 1 -29 18 33 o 11.70078 5.699428 -23.97914      21.02404 -53.53237      29.76439 5.447719       29.70069 12.09233 6.045846 16.91796 7.786379 -4.825621      9.857989 
1 1 1 -29 18 34 o 12.34151 5.956380 -18.56954      21.62795 -6.950160      30.21189 -30.78370      30.97548 15.50963 7.363295 13.69744 6.723632 1.812189       9.971226 
1 1 1 -29 18 35 o 15.42630 7.210207 -1.197215      27.00382 74.65000       52.13490 -29.00651      31.56848 24.33233 10.83750 13.85758 6.799278 10.47476       12.79381 
1 1 1 -29 18 36 o 20.74359 8.507300 34.79601       27.59539 49.73000       52.02419 28.94910       32.55224 21.53619 10.04675 19.65093 8.667338 1.885260       13.26876 
1 1 1 -29 18 37 o 18.47638 8.085475 22.57482       27.82461 66.58000       54.66934 7.190415       32.32454 22.59958 10.45904 16.85939 7.882837 5.740191       13.09697 
1 1 1 -29 19 1  o 48.33954 7.239681 142.9471       33.20252 68.58000       62.64384 172.0000       39.15461 26.82086 11.91670 52.07843 7.931092 -25.25757      14.31468 
1 1 1 -29 19 2  o 40.00309 8.223357 104.1136       31.12287 64.60000       56.87881 121.0000       37.18314 26.63772 11.61044 41.65672 9.349245 -15.01900      14.90674 
1 1 1 -29 19 3  o 25.87694 8.226458 45.07637       23.42862 41.18492       32.56823 49.25000       33.72837 24.08418 9.456655 25.63731 9.740260 -1.553137      13.57575 
1 1 1 -29 19 4  o 19.00167 7.686369 18.83977       22.15825 2.791378       30.35721 37.14000       32.41712 17.67877 8.035637 23.29840 9.341569 -5.619637      12.32219 
1 1 1 -29 19 5  o 29.48256 6.925995 53.44508       19.64548 44.56865       32.76658 58.42660       24.54670 24.72401 9.548015 29.58156 8.195429 -4.857544      12.58291 
1 1 1 -29 19 6  f 27.92735 7.125165 48.73597       19.53793 65.25184       33.00731 39.82801       24.24087 29.27209 9.795304 24.24983 8.389576 5.022259       12.89701 
1 1 1 -29 19 7  o 22.27508 7.543374 31.58290       19.57306 34.58411       32.50458 29.87559       24.51618 22.79690 9.277168 21.69170 8.289054 1.105196       12.44083 
1 1 1 -29 19 8  o 17.02450 7.183265 11.07541       20.49461 7.111000       37.57915 12.75373       24.45091 19.30323 8.837523 18.07752 7.744070 1.225710       11.75042 
1 1 1 -29 19 9  o 19.72787 8.303592 19.88376       27.27897 -14.84000      38.33585 55.50000       38.82539 17.26641 8.224888 26.23276 10.31767 -8.966354      13.19481 
1 1 1 -29 19 10 o 44.33419 5.729866 112.3615       24.28412 52.02000       41.93215 142.8125       29.78785 25.34435 10.45025 49.29987 6.317900 -23.95552      12.21162 
1 1 1 -29 19 11 o 15.56023 6.818986 4.774730       19.85283 12.35748       30.81591 -0.6054740     25.95738 18.87582 8.373931 16.18764 7.385944 2.688173       11.16579 
1 1 1 -29 19 12 o 15.46950 6.805282 4.182342       19.94607 33.83259       30.45970 -18.07689      26.39165 22.40143 9.029607 14.25275 6.799079 8.148685       11.30315 
1 1 1 -29 19 13 o 12.43883 5.905330 -14.92726      19.43087 -7.196436      29.74523 -20.68184      25.66324 16.21436 7.574874 13.78876 6.611843 2.425601       10.05461 
1 1 1 -29 19 14 o 20.95311 7.594039 27.89986       20.05814 -2.808863      30.03518 52.62065       26.94824 16.72087 7.743278 26.95981 8.844687 -10.23894      11.75529 
1 1 1 -29 19 15 o 13.67505 6.300104 -5.470463      19.51231 3.334517       28.78393 -12.95693      26.54144 17.15966 7.809419 14.73273 6.967007 2.426924       10.46548 
1 1 1 -29 19 16 o 14.67549 6.604896 0.3672228      19.91705 18.36116       28.26095 -17.38932      28.07391 19.22679 8.282226 14.62680 6.987118 4.599991       10.83582 
1 1 1 -29 19 17 o 18.51076 7.453766 19.17879       20.73287 22.57549       29.10133 15.67769       29.54513 19.90524 8.485607 18.84911 8.287588 1.056137       11.86127 
1 1 1 -29 19 18 o 16.92268 7.172326 12.28341       20.58354 3.101104       28.48634 22.31562       29.77549 16.87189 7.713071 19.82247 8.519580 -2.950583      11.49238 
1 1 1 -29 19 19 o 30.09252 7.470184 59.68519       21.90106 16.10023       30.24418 107.7385       31.75669 18.89605 8.343543 39.45442 8.475905 -20.55837      11.89351 
1 1 1 -29 19 20 o 13.04276 6.152720 -11.29196      20.46628 -16.92406      28.25335 -5.073679      29.68725 14.55478 6.968036 16.06322 7.524758 -1.508444      10.25551 
1 1 1 -29 19 21 o 16.58198 7.130661 10.78071       20.87967 0.3870984      28.94069 22.06350       30.15323 16.50826 7.629357 19.65339 8.510711 -3.145126      11.42975 
1 1 1 -29 19 22 o 19.54836 7.675947 24.03005       21.45836 -11.65571      29.49970 64.13026       31.27112 15.32952 7.277267 28.09018 9.534513 -12.76066      11.99440 
1 1 1 -29 19 23 o 23.67597 7.985709 39.52734       21.93528 31.17333       30.76389 48.16678       31.28502 21.21414 8.866193 24.45336 9.358900 -3.239216      12.89180 
1 1 1 -29 19 24 o 27.80217 7.945737 54.23176       22.70323 43.40513       31.65032 65.70692       32.58449 23.27183 9.263991 27.88349 9.722256 -4.611664      13.42921 
1 1 1 -29 19 25 o 12.71842 6.170679 -23.90117      23.99587 -29.62384      29.25699 -12.14000      41.94263 13.63896 6.660994 17.30154 8.336341 -3.662578      10.67068 
1 1 1 -29 19 26 o 24.86917 8.606401 47.09189       25.51085 36.56123       30.97421 69.30000       44.98091 21.92874 9.005387 25.96329 10.77538 -4.034546      14.04300 
1 1 1 -29 19 27 o 19.25952 7.680468 23.50932       21.79312 13.85823       30.53897 33.52418       31.10919 18.29963 8.211998 21.36103 8.920833 -3.061409      12.12510 
1 1 1 -29 19 28 o 14.21476 6.707960 -9.647047      24.36608 12.68000       39.02516 -23.91187      31.19337 18.97568 8.800952 14.46832 7.023378 4.507359       11.25987 
1 1 1 -29 19 29 o 20.44158 8.778563 28.39752       31.56511 0.000000       0.000000 28.39752       31.56511 ?        ?        20.44158 8.778563 ?              ?        
1 1 1 -29 19 30 o 18.24691 7.538612 19.62623       21.87891 -16.57087      31.22072 54.55653       30.66954 14.97978 7.211236 25.31569 9.355515 -10.33591      11.81218 
1 1 1 -29 19 31 o 13.90802 6.490788 -5.831922      21.74982 20.74161       31.50555 -30.02757      30.06291 19.10515 8.471848 13.64726 6.683466 5.457889       10.79078 
1 1 1 -29 19 32 o 14.64299 6.712640 -0.3796194     21.77494 -21.34139      31.01649 19.99238       30.57704 14.50032 7.030591 18.90059 8.365380 -4.400264      10.92743 
1 1 1 -29 19 33 o 13.64411 6.390188 -6.342438      21.39080 -17.05245      30.53691 3.975877       29.97329 14.63837 7.068050 16.60060 7.704082 -1.962231      10.45515 
1 1 1 -29 19 34 o 13.83687 6.475822 -5.257065      21.90205 -1.872545      30.88587 -8.680572      31.06324 15.98445 7.545868 15.36228 7.341524 0.6221790      10.52797 
1 1 1 -29 19 35 o 19.10459 8.191421 25.88036       27.40291 16.83000       51.83224 29.39136       32.28360 19.08282 9.212655 19.69106 8.660281 -0.6082401     12.64411 
1 1 1 -29 19 36 o 20.99095 8.591435 37.24272       28.07264 40.11000       55.15923 36.24043       32.61216 20.46916 9.782323 20.52389 8.869269 -0.5472946E-01 13.20446 
1 1 1 -29 20 1  f 35.76434 9.079939 90.00001       31.83800 51.13000       62.19965 103.8000       37.06126 24.85708 11.37628 37.17905 9.977000 -12.32197      15.13144 
1 1 1 -29 20 2  o 42.78816 8.244409 119.9561       33.27725 71.52000       63.12132 138.6000       39.16149 26.68974 11.90374 44.55239 9.281788 -17.86264      15.09472 
1 1 1 -29 20 3  o 54.10028 6.665663 174.9207       34.55243 117.7000       60.07958 203.2000       42.23624 32.54446 12.82416 56.47779 7.852219 -23.93333      15.03717 
1 1 1 -29 20 4  f 47.17133 5.556610 126.1287       25.16466 34.98000       57.62883 147.6037       27.97246 23.35991 10.78525 50.85699 5.718153 -27.49708      12.20733 
1 1 1 -29 20 5  o 22.26177 7.526983 31.92765       19.48775 -11.47663      32.27161 56.83945       24.44876 16.33078 7.710550 28.92612 8.238565 -12.59534      11.28391 
1 1 1 -29 20 6  o 40.11401 5.964528 93.41914       22.70798 81.98000       42.24102 98.06865       26.93033 30.44277 11.02216 39.78756 7.179024 -9.344790      13.15395 
1 1 1 -29 20 7  o 31.72149 7.180836 63.19039       21.77536 53.94000       38.04334 67.69773       26.55576 25.78162 10.19064 31.40403 8.453329 -5.622410      13.24039 
1 1 1 -29 20 8  o 19.76755 7.704716 23.11592       21.48719 0.4537000      37.85863 33.88514       26.09792 18.46387 8.599128 22.41301 8.555309 -3.949135      12.13006 
1 1 1 -29 20 9  o 17.16959 7.293999 11.49974       21.37241 -0.7563000     37.57291 17.36219       25.98600 18.29683 8.536408 18.99505 8.055071 -0.6982250     11.73688 
1 1 1 -29 20 10 o 15.70993 6.876756 5.360901       20.13964 14.62360       31.22583 -1.236723      26.35354 19.19662 8.476994 16.15495 7.397887 3.041672       11.25114 
1 1 1 -29 20 11 f 14.76521 6.843729 -6.316153      23.54053 -8.661778      30.08599 -2.613000      37.80253 16.06563 7.541568 18.07799 8.475813 -2.012363      11.34525 
1 1 1 -29 20 12 o 20.04092 7.557252 24.90585       20.21494 37.95913       30.63720 14.84132       26.90210 22.96384 9.123267 18.53839 8.033312 4.425451       12.15599 
1 1 1 -29 20 13 o 14.31567 6.488275 -1.339574      19.61783 -31.15239      29.27276 22.96741       26.43185 13.74629 6.702312 19.88764 8.257483 -6.141353      10.63518 
1 1 1 -29 20 14 o 17.41083 7.198609 14.66268       19.97029 21.44536       29.35335 8.817877       27.24846 19.77457 8.478292 17.53813 7.821645 2.236444       11.53514 
1 1 1 -29 20 15 o 16.38223 7.056950 9.556371       20.51796 -29.38604      29.54818 45.81810       28.51304 13.86901 6.755833 24.50809 9.027019 -10.63909      11.27512 
1 1 1 -29 20 16 o 29.74485 7.611548 59.06753       22.25031 71.05064       31.98285 47.82793       30.97475 29.75866 9.626834 24.56598 9.333968 5.192678       13.40891 
1 1 1 -29 20 17 o 31.77753 7.360715 65.81714       22.44509 59.67863       31.83580 71.88394       31.64933 27.03904 9.594860 30.05379 9.562228 -3.014759      13.54613 
1 1 1 -29 20 18 o 22.38232 7.897004 34.82561       21.54018 20.87634       29.76530 50.16277       31.21094 19.46107 8.441491 24.88996 9.389331 -5.428890      12.62610 
1 1 1 -29 20 19 o 25.65935 7.965741 46.45490       22.09546 48.89196       31.29892 44.03372       31.19672 24.51902 9.366672 23.53241 9.250752 0.9866066      13.16476 
1 1 1 -29 20 20 o 27.27158 7.936444 51.96025       22.45926 50.36510       31.89048 53.52998       31.63542 24.76888 9.456571 25.48376 9.485949 -0.7148819     13.39440 
1 1 1 -29 20 21 o 17.44492 7.383889 14.44116       21.76758 11.87467       30.68773 17.04010       30.88120 18.23079 8.202317 18.96503 8.399745 -0.7342472     11.74026 
1 1 1 -29 20 22 o 21.76748 7.940128 33.12797       21.97684 17.20734       30.38498 50.59326       31.82488 18.85608 8.342695 24.72854 9.445452 -5.872456      12.60227 
1 1 1 -29 20 23 o 26.61325 8.039674 50.59815       22.70368 27.93105       31.51247 75.06306       32.73832 20.47444 8.781584 29.96935 9.743364 -9.494907      13.11676 
1 1 1 -29 20 24 o 25.93426 8.760209 51.75813       26.39648 37.26608       32.19316 81.49000       46.11156 22.04139 9.128962 27.67346 11.12559 -5.632074      14.39155 
1 1 1 -29 20 25 o 25.53621 8.632667 49.92698       25.63357 55.48719       31.10576 38.16000       45.25092 25.69238 9.434392 21.91202 9.900122 3.780359       13.67553 
1 1 1 -29 20 26 o 10.75695 5.342844 -38.95081      21.68859 -24.53261      31.04486 -52.69706      30.31283 14.38618 6.988851 12.34755 6.162348 2.038626       9.317649 
1 1 1 -29 20 27 o 21.71508 8.898214 35.85216       30.15748 1.364000       40.62204 78.20000       45.01346 18.05250 8.561116 27.11045 10.95932 -9.057951      13.90681 
1 1 1 -29 20 28 o 16.57047 7.547324 5.372042       26.95233 -18.40000      54.85160 12.93849       30.94583 18.16701 8.923572 18.12136 8.187294 0.4564667E-01  12.11040 
1 1 1 -29 20 29 o 11.74926 5.729862 -24.83346      21.42741 -37.54168      29.89270 -11.40289      30.73053 13.08444 6.457888 15.31409 7.314008 -2.229646      9.756999 
1 1 1 -29 20 30 o 18.80964 7.616040 22.46820       21.77839 18.08405       31.33361 26.56556       30.29142 18.69631 8.359420 19.88702 8.570680 -1.190710      11.97232 
1 1 1 -29 20 31 o 22.57493 7.985180 37.68168       22.03499 16.98585       31.07116 58.62180       31.25400 18.45906 8.283420 25.87519 9.464109 -7.416121      12.57714 
1 1 1 -29 20 32 o 14.18961 6.570495 -2.484673      21.61889 2.286893       31.03087 -6.985062      30.13620 16.53004 7.727094 15.44060 7.337298 1.089431       10.65570 
1 1 1 -29 20 33 o 14.23751 6.590527 -1.726549      21.72455 -33.13918      30.63365 30.05590       30.81345 13.34310 6.576405 19.98445 8.628626 -6.641348      10.84907 
1 1 1 -29 20 34 o 24.58601 8.115211 47.36343       22.67343 26.84656       31.84484 68.45784       32.28993 19.28063 8.535144 26.83387 9.647146 -7.553244      12.88084 
1 1 1 -29 20 35 o 15.81969 7.088055 9.156313       22.65465 -15.20574      32.74015 31.53644       31.38015 14.83836 7.201234 19.79965 8.627002 -4.961295      11.23757 
1 1 1 -29 21 1  o 28.24646 7.388052 51.36151       20.65598 51.24257       32.44707 51.44256       26.78455 25.76504 9.603701 26.70769 8.820505 -0.9426517     13.03965 
1 1 1 -29 21 2  o 45.91804 5.147701 117.6814       22.73893 56.18163       36.00049 158.5029       29.33029 26.34632 10.05024 52.50172 5.804173 -26.15541      11.60585 
1 1 1 -29 21 3  o 18.77475 7.795639 17.93681       23.55887 -95.44000      61.47010 37.45764       25.50650 16.58835 8.348068 23.24737 8.542064 -6.659019      11.94392 
1 1 1 -29 21 4  o 22.90199 8.467733 36.02257       25.13049 0.000000       0.000000 36.02257       25.13049 ?        ?        22.90199 8.467733 ?              ?        
1 1 1 -29 21 5  o 20.31022 8.186024 24.81269       25.03203 0.000000       0.000000 24.81269       25.03203 ?        ?        20.31022 8.186024 ?              ?        
1 1 1 -29 21 6  o 30.51743 8.530818 65.04667       26.46770 0.000000       0.000000 65.04667       26.46770 ?        ?        30.51743 8.530818 ?              ?        
1 1 1 -29 21 7  o 18.90808 7.414667 20.53727       19.99970 46.61161       32.52382 4.682521       25.36147 24.61025 9.510304 16.68984 7.487063 7.920410       12.10380 
1 1 1 -29 21 8  o 30.46462 7.255560 59.37383       21.32475 35.34198       33.16081 76.31980       27.84612 22.40716 9.271383 33.10475 8.537915 -10.69760      12.60375 
1 1 1 -29 21 9  o 36.80170 6.333558 81.18943       21.99227 43.57475       33.62990 109.2945       29.06963 23.81837 9.526711 41.42483 7.442784 -17.60646      12.08939 
1 1 1 -29 21 10 o 18.66965 7.429500 19.82226       20.34982 -17.06992      31.07694 47.51608       26.92542 15.32992 7.330705 25.32234 8.837214 -9.992416      11.48197 
1 1 1 -29 21 11 o 13.78835 6.431377 -8.046847      21.30585 -16.50000      37.32489 -3.961257      25.94876 16.56062 7.949596 15.52120 7.191050 1.039423       10.71948 
1 1 1 -29 21 12 o 20.39078 8.063753 26.86890       23.83110 12.21735       29.08159 56.82000       41.57982 18.20920 8.103230 25.15777 10.39302 -6.948570      13.17866 
1 1 1 -29 21 13 o 23.81189 8.399899 41.11247       24.37014 23.08165       29.09636 83.49000       44.60657 19.84635 8.473408 28.94537 11.15032 -9.099012      14.00458 
1 1 1 -29 21 14 o 24.99694 7.789304 43.10056       21.10569 24.09049       30.32068 60.96962       29.39667 20.08080 8.613358 27.91735 9.241423 -7.836557      12.63305 
1 1 1 -29 21 15 o 18.32045 7.476413 18.74509       21.18188 -13.54843      29.54203 52.91297       30.38727 15.17139 7.225025 25.67763 9.341131 -10.50624      11.80922 
1 1 1 -29 21 16 o 40.59361 6.015264 98.26493       23.17894 81.36461       32.85216 115.0175       32.70825 31.77591 9.685949 40.52811 8.516151 -8.752197      12.89738 
1 1 1 -29 21 17 o 15.63603 6.967468 4.957693       21.57470 8.917151       30.76321 1.125350       30.26536 17.79577 8.088965 16.77799 7.770834 1.017784       11.21683 
1 1 1 -29 21 18 o 16.12592 7.111765 7.401131       21.91021 -26.01409      30.82136 41.53871       31.15273 14.31569 6.956686 23.01703 9.181526 -8.701346      11.51937 
1 1 1 -29 21 19 f 16.35771 7.169380 8.600646       21.95177 3.970254       31.16201 13.16185       30.92830 17.28177 7.961714 18.40291 8.260797 -1.121136      11.47300 
1 1 1 -29 21 20 o 16.34531 7.165835 8.725447       21.94301 -14.80324      30.67586 33.37973       31.40105 15.21315 7.277133 21.47154 8.964454 -6.258391      11.54635 
1 1 1 -29 21 21 o 14.94446 6.791600 0.8521670      21.67350 7.660405       30.17012 -6.408079      31.15554 17.45509 7.963677 16.04081 7.574369 1.414284       10.99051 
1 1 1 -29 21 22 o 19.35060 7.745310 23.79149       22.24528 15.60389       30.18602 33.52301       32.90924 18.51444 8.246333 21.36512 9.062663 -2.850685      12.25291 
1 1 1 -29 21 23 o 20.28079 8.204740 28.02257       25.25105 46.78896       30.20213 -15.56000      46.02603 23.92045 9.185249 17.46723 8.491150 6.453220       12.50873 
1 1 1 -29 21 24 o 20.51017 7.922826 29.00331       22.56579 31.35479       31.89232 26.64576       31.93340 20.91100 8.897733 20.17161 8.746644 0.7393894      12.47692 
1 1 1 -29 21 25 o 19.26694 7.767273 23.76637       22.54207 -4.580892      31.85439 52.20250       31.90428 16.26980 7.675310 24.73643 9.455073 -8.466631      12.17821 
1 1 1 -29 21 26 o 16.32133 7.568236 0.8274757      28.83520 -18.30000      38.49503 25.28000       43.52489 16.18876 7.845273 20.42397 9.409358 -4.235209      12.25089 
1 1 1 -29 21 27 o 27.44171 7.925492 53.93383       22.47504 12.04050       32.14392 94.00446       31.43689 18.04890 8.229007 34.96817 9.098743 -16.91927      12.26799 
1 1 1 -29 21 28 o 12.02940 5.834410 -21.58136      21.40449 -39.14304      29.85969 -3.018793      30.69879 12.95070 6.403381 16.09157 7.573830 -3.140876      9.917974 
1 1 1 -29 21 29 o 31.73438 7.662404 69.52383       23.52961 61.99078       33.39723 76.94839       33.15586 26.16396 9.745079 29.63735 9.814681 -3.473398      13.83093 
1 1 1 -29 21 30 o 17.97890 7.492027 19.17684       21.87183 42.99033       31.05887 -4.249788      30.80556 22.53121 9.105135 15.88649 7.510582 6.644711       11.80306 
1 1 1 -29 21 31 o 18.16118 7.540681 20.53619       22.04228 5.439070       31.73594 34.60680       30.63803 16.91896 7.877440 20.85969 8.791116 -3.940729      11.80414 
1 1 1 -29 21 32 o 14.43881 6.773692 -4.276423      24.20646 -6.415380      30.36311 -0.5459000     40.09868 15.38547 7.326347 17.18192 8.245704 -1.796448      11.03028 
1 1 1 -29 21 33 o 18.04546 7.503385 21.41313       21.86930 -0.8046632     30.61802 44.55356       31.24730 15.82372 7.482932 22.07847 9.053519 -6.254752      11.74566 
1 1 1 -29 21 34 o 22.49808 8.086965 40.70297       22.68919 38.69772       32.38581 42.63596       31.79700 20.81314 8.914151 21.50869 9.003299 -0.6955452     12.66971 
1 1 1 -29 22 1  o 40.75492 6.954561 103.1554       26.74839 77.42632       34.61322 141.3000       42.14504 30.78951 10.01909 42.66650 10.22503 -11.87699      14.31549 
1 1 1 -29 22 2  o 27.72731 7.810054 51.98615       22.09547 27.91000       37.70952 64.57369       27.26641 21.26435 9.355742 29.82683 8.762738 -8.562477      12.81856 
1 1 1 -29 22 3  o 19.18394 7.646591 21.65860       21.59085 -6.753000      37.26055 36.02069       26.49173 17.40186 8.236839 22.54396 8.616105 -5.142099      11.91985 
1 1 1 -29 22 4  o 22.55743 8.036960 34.97107       22.35762 29.36000       41.42107 37.27793       26.55880 21.57345 9.630951 22.81068 8.648613 -1.237228      12.94425 
1 1 1 -29 22 5  o 25.64355 8.729046 48.58782       26.21299 0.000000       0.000000 48.58782       26.21299 ?        ?        25.64355 8.729046 ?              ?        
1 1 1 -29 22 6  o 13.54659 6.407128 -12.65620      22.46413 20.48000       54.28540 -19.50301      24.67607 21.27319 10.03077 13.45455 6.459933 7.818638       11.93093 
1 1 1 -29 22 7  o 18.78472 7.798193 19.44734       23.56754 -61.73000      54.24168 38.33854       26.16650 16.54237 8.253906 22.98314 8.612660 -6.440775      11.92916 
1 1 1 -29 22 8  o 30.82561 8.199598 66.23931       25.16948 101.7000       57.17403 57.71509       28.03190 29.14361 12.12628 27.47225 9.021201 1.671366       15.11386 
1 1 1 -29 22 9  o 32.44162 7.051620 67.15543       21.75176 25.77393       32.78546 99.69270       29.07158 20.46885 8.869096 38.52270 7.972784 -18.05385      11.92586 
1 1 1 -29 22 10 o 42.32738 5.549604 103.7566       22.43938 113.0419       34.13671 96.69180       29.77644 39.47334 9.031287 37.36249 8.352139 2.110851       12.30132 
1 1 1 -29 22 11 o 21.80339 7.760844 32.43788       20.84303 25.00307       31.02064 38.55690       28.14213 20.22856 8.695028 22.75166 8.831628 -2.523092      12.39359 
1 1 1 -29 22 12 o 11.35093 5.529979 -24.74826      19.81647 -54.84388      29.55655 -0.1726923     26.70877 12.12487 6.056420 16.02324 7.377928 -3.898367      9.545367 
1 1 1 -29 22 13 o 16.27674 7.152228 8.165296       21.97399 -39.28000      34.45545 40.69199       28.52866 14.18846 6.989504 23.06219 8.908401 -8.873731      11.32311 
1 1 1 -29 22 14 o 14.08781 6.665914 -11.36180      24.36370 -6.390963      29.50310 -22.02000      43.20107 15.79298 7.430672 16.82001 8.187826 -1.027039      11.05692 
1 1 1 -29 22 15 o 20.59422 7.814701 28.61012       21.69482 31.77714       30.78905 25.48712       30.57430 21.18743 8.863480 20.12898 8.641929 1.058447       12.37918 
1 1 1 -29 22 16 o 13.00665 6.169662 -12.88281      21.12138 -6.123577      29.99098 -19.53418      29.75075 15.92550 7.492661 14.59599 7.029761 1.329508       10.27412 
1 1 1 -29 22 17 o 11.45245 5.605359 -28.01809      21.05430 -14.68485      29.14916 -42.56178      30.44356 14.90651 7.120440 13.05000 6.454882 1.856508       9.610732 
1 1 1 -29 22 18 o 14.50268 6.653373 -1.940464      21.44720 8.992279       29.98339 -13.39519      30.69082 17.64413 8.006533 15.31622 7.313448 2.327912       10.84394 
1 1 1 -29 22 19 o 35.87978 6.971797 82.41885       23.60258 56.46367       32.77604 110.3762       34.01670 25.59138 9.628839 38.26654 9.196263 -12.67516      13.31487 
1 1 1 -29 22 20 o 18.96709 7.675062 22.25200       22.10180 -1.601805      30.28632 49.42811       32.32670 16.36186 7.643676 24.21664 9.447041 -7.854780      12.15205 
1 1 1 -29 22 21 o 25.88697 8.735932 51.98916       26.25033 56.21700       31.64958 42.67000       46.98909 25.68415 9.501625 22.31903 10.08582 3.365120       13.85657 
1 1 1 -29 22 22 f 19.00163 8.031333 21.71974       25.69167 18.36261       30.56077 29.81000       47.44188 18.82902 8.346922 20.99650 9.726233 -2.167482      12.81681 
1 1 1 -29 22 23 o 19.50957 7.821811 24.88449       22.72552 12.93950       32.30852 36.58167       31.97161 18.27065 8.298855 21.73446 9.057666 -3.463810      12.28464 
1 1 1 -29 22 24 o 19.08842 8.273551 21.33743       28.54844 10.10000       37.82621 36.21000       43.51635 18.48482 8.604361 21.51971 9.717039 -3.034893      12.97906 
1 1 1 -29 22 25 o 25.45750 9.642055 57.22804       32.99015 0.000000       0.000000 57.22804       32.99015 ?        ?        25.45750 9.642055 ?              ?        
1 1 1 -29 22 26 o 18.45934 7.604628 20.91756       22.17893 4.362444       30.50993 39.46984       32.29786 16.85201 7.804090 21.96395 9.124449 -5.111933      12.00664 
1 1 1 -29 22 27 o 19.82528 7.786154 27.10844       22.08254 3.357491       30.64989 52.74472       31.84315 16.72886 7.772825 24.47564 9.422942 -7.746777      12.21510 
1 1 1 -29 22 28 o 21.33689 7.940392 33.19646       22.16384 13.06102       30.91420 54.49305       31.79307 17.92066 8.131162 24.84283 9.452377 -6.922174      12.46849 
1 1 1 -29 22 29 o 20.82178 7.889388 31.83680       22.09193 24.61831       30.77759 39.50874       31.72956 19.32301 8.478501 21.70826 9.033148 -2.385256      12.38882 
1 1 1 -29 22 30 f 18.89686 7.672149 24.20672       22.16957 56.37453       31.21836 -8.519965      31.48838 24.88080 9.389440 15.44186 7.382832 9.438938       11.94436 
1 1 1 -29 22 31 o 18.41221 7.560915 22.69016       21.83323 -1.701049      30.97883 46.76281       30.77587 15.87580 7.513315 22.72537 9.105364 -6.849572      11.80498 
1 1 1 -29 22 32 o 23.45860 8.078179 43.80338       22.46501 44.43742       32.20938 43.20277       31.34875 21.83076 9.094026 21.71145 9.001828 0.1193085      12.79587 
1 1 1 -29 22 33 o 15.24049 6.880872 6.611280       21.81310 -33.63364      31.16611 45.25592       30.54018 13.21610 6.535946 22.07860 8.989629 -8.862506      11.11450 
1 1 1 -29 23 1  f 28.87994 9.244799 65.15748       29.54755 74.19000       41.73479 56.08000       41.83850 27.78111 10.76298 24.79728 10.34988 2.983839       14.93190 
1 1 1 -29 23 2  o 21.49379 8.746467 32.61543       28.89050 -21.62000      39.02829 98.36000       42.97026 16.30741 7.901979 32.05502 11.16543 -15.74761      13.67875 
1 1 1 -29 23 3  o 24.98886 9.120233 49.02153       29.00078 35.74000       39.06926 65.32000       43.27975 22.00519 9.606369 26.04252 10.66429 -4.037333      14.35303 
1 1 1 -29 23 4  o 15.21989 6.807322 3.202663       20.79681 -4.516836      30.87578 9.613371       28.13691 16.33825 7.660101 17.59835 7.891026 -1.260103      10.99752 
1 1 1 -29 23 5  o 20.30487 7.722659 27.06263       21.21664 48.82993       31.70948 9.418747       28.54855 24.54592 9.415171 17.62697 7.922583 6.918957       12.30499 
1 1 1 -29 23 6  o 21.35528 7.755193 30.97105       20.93234 21.49733       32.11437 37.96911       27.60118 19.73088 8.658971 22.62098 8.755809 -2.890102      12.31430 
1 1 1 -29 23 7  o 17.21813 7.540575 11.17614       24.24132 -10.80000      56.14744 16.21108       26.87519 19.06713 9.293450 18.41189 8.003514 0.6552429      12.26477 
1 1 1 -29 23 8  o 34.94675 7.883609 82.72448       26.32341 40.73000       58.33184 93.46334       29.49774 22.51493 10.54727 36.44806 8.435277 -13.93313      13.50551 
1 1 1 -29 23 9  o 41.53064 6.995042 109.2440       27.42635 -8.501000      58.01330 143.1348       31.12416 19.24883 9.396167 47.80956 6.845992 -28.56072      11.62564 
1 1 1 -29 23 10 o 24.27997 8.561876 44.38411       25.31730 20.79000       57.19819 50.13285       28.23363 20.93273 9.992229 25.18829 9.025082 -4.255554      13.46465 
1 1 1 -29 23 11 o 23.77968 7.878391 40.04482       21.36335 28.31811       32.53011 48.93788       28.32848 20.59903 8.879672 24.84519 9.021948 -4.246159      12.65876 
1 1 1 -29 23 12 o 14.79638 6.665199 1.796704       20.33346 -0.4625232     30.50936 3.602133       27.27365 16.59649 7.726090 16.52100 7.550556 0.7548141E-01  10.80293 
1 1 1 -29 23 13 f 24.32595 7.870901 41.79307       21.37894 49.16175       31.17211 35.24885       29.37651 24.47616 9.348319 21.81241 8.840466 2.663750       12.86642 
1 1 1 -29 23 14 o 19.01110 7.766552 21.80786       22.88768 -20.56000      35.67649 51.44101       29.83684 15.69822 7.594371 25.21070 9.242855 -9.512484      11.96264 
1 1 1 -29 23 15 o 17.39598 7.342069 14.83502       21.42054 22.62276       30.40786 7.163617       30.17987 19.63683 8.524830 17.44985 7.962695 2.186979       11.66521 
1 1 1 -29 23 16 o 14.99246 6.983182 -4.339842      24.97797 -10.15816      30.06692 8.619000       44.87179 15.44209 7.335376 19.12531 9.048571 -3.683219      11.64836 
1 1 1 -29 23 17 o 17.62247 7.418948 16.23996       21.78328 16.97488       30.13442 15.43566       31.52504 18.62418 8.270531 18.54644 8.331463 0.7773590E-01  11.73946 
1 1 1 -29 23 18 o 13.21716 6.251054 -11.16126      21.37880 -27.73676      29.29171 7.733529       31.27392 13.72449 6.694498 17.55424 8.046250 -3.829758      10.46702 
1 1 1 -29 23 19 f 14.37693 6.617510 -2.253140      21.45990 25.00018       29.14049 -34.54745      31.72124 19.75463 8.458153 13.76650 6.766851 5.988134       10.83193 
1 1 1 -29 23 20 o 13.36495 6.417047 -17.15372      24.35240 -22.99011      28.77008 -2.405000      45.73476 13.94017 6.761865 18.22081 8.760305 -4.280645      11.06643 
1 1 1 -29 23 21 o 17.93295 7.808058 15.85118       25.66626 5.618868       30.47309 40.83000       47.61193 17.12036 7.882236 21.99257 10.02244 -4.872204      12.75064 
1 1 1 -29 23 22 o 16.80477 7.319612 11.77426       22.57355 2.394913       32.08345 20.96923       31.76655 16.96097 7.904850 19.21305 8.513951 -2.252081      11.61783 
1 1 1 -29 23 23 o 30.48147 9.331061 75.33880       30.44663 39.19000       40.65622 121.5000       45.94292 21.80248 9.648103 34.28798 11.55715 -12.48549      15.05502 
1 1 1 -29 23 24 o 17.37508 7.442313 15.34951       22.57781 -6.575155      32.02528 37.01477       31.83526 15.95255 7.575736 21.56277 9.016108 -5.610215      11.77633 
1 1 1 -29 23 25 o 18.85469 7.662185 22.97682       22.13618 52.35325       31.12431 -7.092948      31.48946 24.48269 9.343507 15.76805 7.494998 8.714639       11.97815 
1 1 1 -29 23 26 o 20.14328 7.852268 28.60035       22.32057 37.45060       31.03202 19.11354       32.12863 21.58079 8.952705 18.78145 8.426029 2.799337       12.29426 
1 1 1 -29 23 27 o 17.14236 7.340226 15.03707       21.94946 12.30439       30.75114 17.87535       31.33968 17.71553 8.066077 18.48972 8.306380 -0.7741966     11.57832 
1 1 1 -29 23 28 o 11.98330 5.813017 -20.50074      21.27085 -42.47099      29.41793 3.570076       30.79214 12.49965 6.210792 16.55410 7.724827 -4.054457      9.911957 
1 1 1 -29 23 29 o 17.08870 7.314930 15.97473       21.78581 16.27840       30.31668 15.65046       31.32777 17.90326 8.094775 17.90438 8.147901 -0.1127243E-02 11.48537 
1 1 1 -29 23 30 o 17.13836 7.334639 16.83899       21.89491 23.48902       30.38522 9.656919       31.57733 18.71896 8.309178 17.05870 7.913529 1.660257       11.47460 
1 1 1 -29 23 31 o 17.48285 7.370295 19.45968       21.54574 30.03978       30.52450 8.954424       30.41635 19.46495 8.494399 16.68548 7.749418 2.779463       11.49819 
1 1 1 -29 23 32 o 15.57312 6.935274 9.512855       21.34277 -0.4663131     29.87869 19.90950       30.49727 15.56154 7.368767 17.95868 8.119436 -2.397148      10.96467 
1 1 1 -29 24 1  o 23.49222 8.392696 40.95525       24.39691 51.64000       41.32493 35.23891       30.22658 23.84933 10.13750 21.74914 8.909860 2.100189       13.49647 
1 1 1 -29 24 2  o 14.89175 6.990527 -7.205545      25.85007 -17.19121      32.14253 11.08000       43.49561 15.26341 7.339877 19.30379 9.063588 -4.040378      11.66287 
1 1 1 -29 24 3  o 21.25238 8.520160 32.33193       26.96339 36.31112       34.19422 25.79000       43.84378 21.83998 9.249849 20.70323 9.503487 1.136749       13.26182 
1 1 1 -29 24 4  o 28.69337 8.906161 63.32146       27.62179 29.16422       34.75412 121.9000       45.51286 20.75356 9.060151 35.28705 11.48923 -14.53349      14.63177 
1 1 1 -29 24 5  o 25.09936 8.833652 49.05534       26.94038 35.52390       34.16837 71.29000       43.79934 21.70114 9.220955 26.47220 10.77045 -4.771069      14.17846 
1 1 1 -29 24 6  o 30.99575 7.549000 64.62020       22.68740 23.59470       34.02941 97.44651       30.43957 19.95178 8.828095 36.85492 8.596356 -16.90314      12.32204 
1 1 1 -29 24 7  o 19.46079 7.654728 24.27542       21.37172 -5.410040      31.58288 49.35060       29.02697 16.23784 7.654819 24.78956 9.111878 -8.551718      11.90053 
1 1 1 -29 24 8  o 13.72538 6.348784 -4.728012      20.10516 11.17269       31.19994 -16.01953      26.29188 18.05914 8.183918 14.06032 6.728762 3.998816       10.59494 
1 1 1 -29 24 9  o 22.82310 8.510155 38.86340       25.48292 -58.59000      57.85083 62.32511       28.38513 16.84437 8.422792 28.20460 9.064361 -11.36023      12.37360 
1 1 1 -29 24 10 o 24.00801 8.654201 43.90009       26.00525 -47.30000      57.21466 67.64684       29.19523 17.24152 8.582542 29.36724 9.162815 -12.12572      12.55457 
1 1 1 -29 24 11 o 12.29113 6.015718 -29.62340      24.24584 -38.53000      54.37660 -27.41321      27.08764 17.30160 8.570158 13.25599 6.459720 4.045605       10.73199 
1 1 1 -29 24 12 o 16.10694 7.331265 3.382186       25.37735 -5.444000      55.47942 5.717540       28.53789 19.08895 9.289249 16.97026 7.743545 2.118689       12.09350 
1 1 1 -29 24 13 o 24.13736 8.757317 45.50052       26.68322 7.785000       57.50780 55.84797       30.12198 19.89241 9.627868 25.93616 9.318501 -6.043749      13.39889 
1 1 1 -29 24 14 o 16.57824 7.185603 11.15650       21.53429 -5.824925      30.93482 27.12188       29.99509 15.97693 7.545198 20.14232 8.601621 -4.165399      11.44194 
1 1 1 -29 24 15 o 16.12025 7.083223 8.599192       21.55032 4.649178       30.68871 12.44194       30.26915 17.07202 7.877971 17.98670 8.114564 -0.9146748     11.30967 
1 1 1 -29 24 16 o 14.88721 6.861706 -1.571106      23.18392 -16.64000      36.09315 9.013344       30.24950 15.92134 7.686708 17.53163 7.989182 -1.610291      11.08659 
1 1 1 -29 24 17 o 14.54791 6.693665 -1.654817      21.92745 8.298196       30.81096 -11.86936      31.21313 17.46772 7.999063 15.40746 7.362053 2.060253       10.87129 
1 1 1 -29 24 18 o 17.10256 7.615580 10.79709       25.72828 16.48152       30.70623 -2.597000      47.13456 18.50170 8.273651 18.29761 8.821538 0.2040958      12.09433 
1 1 1 -29 24 19 o 19.81507 8.200423 26.35858       25.94909 27.13703       30.65333 24.39000       48.74581 20.07258 8.635884 20.43987 9.596376 -0.3672829     12.91003 
1 1 1 -29 24 20 o 16.24252 7.142073 9.309026       21.94598 -4.035442      30.37231 23.88775       31.74585 15.97742 7.524234 19.58446 8.601474 -3.607034      11.42801 
1 1 1 -29 24 21 o 12.37208 6.052116 -28.05972      24.44285 -28.63138      30.81645 -27.09000      40.13649 13.91781 6.805542 15.75871 7.718542 -1.840898      10.29035 
1 1 1 -29 24 22 o 14.86749 7.165306 -16.51651      31.03177 0.000000       0.000000 -16.51651      31.03177 ?        ?        14.86749 7.165306 ?              ?        
1 1 1 -29 24 23 o 26.36862 8.067567 51.51974       22.76351 40.75685       31.49321 63.29455       32.94045 22.11124 9.080447 26.36951 9.704309 -4.258270      13.29015 
1 1 1 -29 24 24 o 16.05254 7.066839 9.356193       21.54450 -1.377061      29.50338 21.61857       31.53504 15.95999 7.484407 19.02629 8.454171 -3.066305      11.29112 
1 1 1 -29 24 25 o 11.72315 5.715867 -23.95996      21.28969 -23.98183      29.05996 -23.93462      31.27866 13.77770 6.708764 14.25728 6.946278 -0.4795837     9.657033 
1 1 1 -29 24 26 o 12.78380 6.122419 -14.29332      21.85548 -74.84464      30.17081 52.56282       31.70268 11.04748 5.593857 24.04111 9.362018 -12.99363      10.90590 
1 1 1 -29 24 27 o 15.21511 6.885357 4.791694       21.99114 -23.95107      30.22791 37.10925       32.05259 13.88697 6.779621 21.03143 8.933435 -7.144458      11.21470 
1 1 1 -29 24 28 o 30.57320 7.697292 67.31947       23.01625 54.39648       32.08040 81.02766       33.04064 23.92879 9.388581 29.51085 9.798461 -5.582067      13.57038 
1 1 1 -29 24 29 o 18.36166 7.566044 23.31351       21.96079 13.91625       30.89111 32.91569       31.22609 17.37670 7.976723 19.98188 8.656858 -2.605183      11.77155 
1 1 1 -29 24 30 o 18.70430 7.653136 25.56080       22.26699 30.91728       31.31827 20.08501       31.66516 19.48353 8.550679 18.02304 8.197906 1.460487       11.84566 
1 1 1 -29 24 31 o 12.46902 6.105371 -23.38349      25.05376 -31.13097      29.61776 -3.894000      46.97558 12.92734 6.389185 16.91750 8.299319 -3.990167      10.47380 
1 1 1 -29 25 1  o 44.20391 5.690500 114.8680       24.05111 82.88792       36.15914 140.2430       32.20930 30.62456 10.25238 46.54026 7.311211 -15.91570      12.59227 
1 1 1 -29 25 2  o 29.89055 7.814921 61.65355       23.11798 3.090085       34.06299 111.6638       31.47741 17.49697 8.151452 40.04331 8.303582 -22.54634      11.63596 
1 1 1 -29 25 3  o 41.11871 6.195769 102.4501       24.16310 18.90275       34.86894 179.6344       33.51484 19.39095 8.732141 54.10438 6.455683 -34.71342      10.85938 
1 1 1 -29 25 4  o 21.51799 8.472812 33.55337       26.20810 -4.735730      32.84996 100.6000       43.46961 16.51276 7.791267 31.76522 11.21742 -15.25246      13.65776 
1 1 1 -29 25 5  o 15.03254 7.003861 -4.516530      25.15474 -3.643553      32.28621 -5.865000      40.12698 16.52064 7.773107 17.48233 8.351798 -0.9616909     11.40937 
1 1 1 -29 25 6  o 18.79171 7.985397 20.04802       25.62882 -0.6364847     32.68439 53.07000       41.29708 16.88574 7.905353 23.98247 10.16161 -7.096735      12.87450 
1 1 1 -29 25 7  o 19.32545 8.127909 22.94881       26.10489 37.95433       33.00318 -2.130000      42.66617 22.04536 9.196120 18.04252 8.617384 4.002832       12.60270 
1 1 1 -29 25 8  o 15.61199 6.944046 5.821215       21.32968 7.849116       31.16450 4.034159       29.25538 17.53835 8.036427 16.79794 7.729923 0.7404156      11.15060 
1 1 1 -29 25 9  o 12.09793 5.833589 -19.00778      20.63344 -23.26922      30.35480 -15.34760      28.13201 14.29098 6.935204 14.48078 6.938069 -0.1897974     9.809886 
1 1 1 -29 25 10 o 23.26394 7.975116 39.33205       21.88815 15.65526       32.08517 59.94258       29.93556 18.56159 8.365932 26.83478 9.320997 -8.273186      12.52477 
1 1 1 -29 25 11 o 24.28095 8.749160 46.45256       26.57597 34.36000       56.37570 49.90765       30.13438 21.47393 10.15456 24.45662 9.225953 -2.982695      13.71982 
1 1 1 -29 25 12 f 14.39749 6.834363 -11.13321      26.00981 -105.6000      56.07979 14.75680       29.35844 14.85904 7.534993 18.16993 8.110095 -3.310897      11.07022 
1 1 1 -29 25 13 o 14.51198 6.873812 -9.979877      26.03645 -17.83000      57.12008 -7.921089      29.25206 18.33471 9.025688 15.41050 7.295423 2.924212       11.60544 
1 1 1 -29 25 14 o 17.12815 7.691869 10.03102       26.84664 8.770000       58.08736 10.37355       30.27403 19.76942 9.593784 17.62495 8.016432 2.144470       12.50215 
1 1 1 -29 25 15 o 17.47154 7.775966 12.49916       26.78881 62.58000       58.87070 -0.5788848     30.08394 23.49817 10.86739 16.29307 7.613691 7.205105       13.26908 
1 1 1 -29 25 16 o 20.03944 8.394080 27.58079       27.66839 67.38000       59.12876 16.42313       31.30747 23.88384 10.99017 18.50809 8.309385 5.375748       13.77787 
1 1 1 -29 25 17 o 14.36326 6.811001 -10.21206      25.70111 -24.83233      30.86352 22.86000       46.41929 14.20439 6.915925 20.12557 9.421792 -5.921178      11.68761 
1 1 1 -29 25 18 o 13.83072 6.724979 -23.99818      28.91704 -47.86000      36.40253 16.81000       47.60510 13.86131 6.890973 19.66336 9.308167 -5.802053      11.58134 
1 1 1 -29 25 19 o 15.41391 7.007407 3.003777       23.09792 -18.50690      32.21885 25.74970       33.13102 14.95674 7.231136 19.83469 8.746398 -4.877943      11.34852 
1 1 1 -29 25 20 o 19.84051 9.455144 19.26000       50.77422 0.000000       0.000000 19.26000       50.77422 ?        ?        19.84051 9.455144 ?              ?        
1 1 1 -29 25 21 o 32.95292 8.114193 78.30768       25.99581 27.75000       40.25359 114.4786       34.04796 20.11547 9.185574 38.36699 9.187750 -18.25152      12.99190 
1 1 1 -29 25 22 o 20.22000 7.859718 29.29377       22.31266 21.97045       30.94293 37.22648       32.20461 18.99549 8.410942 21.35730 9.007614 -2.361811      12.32400 
1 1 1 -29 25 23 o 15.70871 7.015427 6.985817       22.00004 12.88298       30.36361 0.4685089      31.92023 17.72586 8.048954 16.50168 7.753138 1.224173       11.17572 
1 1 1 -29 25 24 o 15.79344 7.043104 7.948373       22.09035 15.96865       30.71177 -0.6489727     31.79744 18.02317 8.148329 16.25710 7.669053 1.766073       11.18971 
1 1 1 -29 25 25 o 20.20023 7.869196 30.21919       22.40495 13.73135       31.17696 47.82817       32.21952 17.67184 8.075108 22.85558 9.260149 -5.183743      12.28648 
1 1 1 -29 25 26 o 19.99019 7.835995 29.84647       22.32991 4.518494       30.86073 57.67869       32.35043 16.46414 7.699420 24.52782 9.483179 -8.063679      12.21523 
1 1 1 -29 25 27 o 22.50783 8.015514 40.20422       22.23597 44.67134       30.11303 34.84790       32.97419 22.13236 8.957689 20.24914 8.832787 1.883223       12.58008 
1 1 1 -29 25 28 o 12.98060 6.161902 -8.642995      21.14529 -11.58990      29.33336 -5.455095      30.50921 14.43469 6.959160 15.17589 7.258775 -0.7412004     10.05583 
1 1 1 -29 25 29 o 14.49830 6.650306 2.682763       21.41588 -7.958343      29.59586 14.37873       31.02813 14.77906 7.090308 17.26839 7.951587 -2.489332      10.65365 
1 1 1 -29 26 1  o 15.86866 6.958344 8.321053       20.70051 -1.502430      31.09680 16.13808       27.73983 16.39699 7.687588 18.17191 8.008586 -1.774918      11.10119 
1 1 1 -29 26 2  o 24.87319 7.901679 44.65387       21.61849 47.29531       32.50652 42.55906       28.94823 23.54631 9.383454 22.99583 8.948591 0.5504761      12.96636 
1 1 1 -29 26 3  o 17.80687 7.403210 17.74579       21.28528 11.57972       32.29684 22.48055       28.30120 18.03720 8.233208 19.22441 8.284722 -1.187220      11.68000 
1 1 1 -29 26 4  o 16.38266 7.099867 10.80741       21.01768 23.52286       32.05612 1.219726       27.83568 19.59412 8.623245 16.14634 7.469207 3.447786       11.40830 
1 1 1 -29 26 5  o 13.38697 6.301284 -9.089705      21.25594 -55.92391      31.35571 30.73294       28.91346 12.37237 6.188772 20.67593 8.614829 -8.303567      10.60736 
1 1 1 -29 26 6  o 22.33413 8.547525 38.16352       26.09503 55.30275       33.03789 9.736000       42.54869 25.05515 9.610396 18.84440 8.883994 6.210747       13.08759 
1 1 1 -29 26 7  o 19.42915 8.124300 24.30246       25.85048 22.35213       32.41487 27.71000       42.84601 19.45223 8.611149 20.55669 9.420791 -1.104452      12.76335 
1 1 1 -29 26 8  o 22.81254 8.648602 40.55765       26.55743 25.95295       33.23185 66.37000       44.17962 19.97795 8.786497 25.19939 10.58455 -5.221445      13.75628 
1 1 1 -29 26 9  o 19.06209 8.058591 22.58354       25.87535 10.96305       31.93334 44.80000       44.15395 17.87908 8.170819 22.34969 9.962767 -4.470604      12.88484 
1 1 1 -29 26 10 o 14.79903 6.756233 0.6563734      21.76013 -30.71302      31.74739 28.45142       29.88400 13.96331 6.844450 20.19884 8.604481 -6.235523      10.99471 
1 1 1 -29 26 11 o 17.49274 7.369383 16.41090       21.51665 4.315197       31.56624 26.90819       29.40668 17.02821 7.903775 19.91919 8.511867 -2.890978      11.61557 
1 1 1 -29 26 12 o 10.13289 5.067216 -43.78808      20.95707 -42.70420      30.90717 -44.71054      28.51294 12.98121 6.435566 12.27566 6.102015 0.7055578      8.868546 
1 1 1 -29 26 13 o 9.713574 4.883450 -49.48825      20.76060 -53.56512      31.07091 -46.20018      27.90365 12.39451 6.193929 12.02765 5.988225 0.3668642      8.615312 
1 1 1 -29 26 14 o 16.39725 7.491619 5.230230       26.82174 14.08000       59.96221 3.016586       29.98924 20.03132 9.727034 16.62485 7.712164 3.406469       12.41341 
1 1 1 -29 26 15 o 25.95026 10.18913 65.92476       37.80810 96.06000       61.48333 47.60000       47.94455 26.06007 11.67654 22.39329 10.14684 3.666775       15.46933 
1 1 1 -29 26 16 o 21.87980 9.480905 40.59484       37.46825 77.16000       59.69079 16.82000       48.13183 24.47463 11.17973 19.61647 9.307499 4.858156       14.54703 
1 1 1 -29 26 17 o 17.25921 7.773901 11.10012       27.65352 -12.99000      59.81998 17.64738       31.18579 18.52396 9.141251 18.51918 8.305460 0.4779816E-02  12.35083 
1 1 1 -29 26 18 o 41.60355 9.449344 136.5526       37.60040 63.15000       64.80676 173.8000       46.16496 22.76480 10.80094 44.48849 10.72707 -21.72369      15.22270 
1 1 1 -29 26 19 o 27.79350 9.808101 70.89224       33.22850 0.000000       0.000000 70.89224       33.22850 ?        ?        27.79350 9.808101 ?              ?        
1 1 1 -29 26 20 o 12.38456 6.042589 -24.89773      23.91187 -71.01000      36.27388 10.53958       31.79919 12.60197 6.351007 17.54884 8.069452 -4.946869      10.26895 
1 1 1 -29 26 21 o 15.21952 7.093538 -1.538892      25.84016 -4.107180      30.48955 5.009000       48.68328 15.77618 7.462471 18.54301 8.946190 -2.766826      11.65001 
1 1 1 -29 26 22 o 14.64658 6.876545 -4.319762      25.03132 -9.302596      29.47924 8.557000       47.38942 15.00182 7.164507 18.52824 8.910492 -3.526420      11.43359 
1 1 1 -29 26 23 o 17.50387 7.439641 17.98702       22.25309 -3.007278      30.27072 42.67469       32.82556 15.67371 7.420425 21.82303 9.142200 -6.149323      11.77466 
1 1 1 -29 26 24 o 19.02258 7.708837 25.72534       22.33407 32.30408       30.53518 18.15697       32.75145 20.09621 8.632262 18.17721 8.294757 1.918997       11.97159 
1 1 1 -29 26 25 o 15.30185 6.893391 6.842131       21.75404 4.623245       29.88694 9.342334       31.72500 16.21445 7.580799 16.93977 7.883407 -0.7253208     10.93694 
1 1 1 -29 26 26 o 14.35133 6.628080 0.9587610      21.78959 -39.34329      29.50968 49.27485       32.31073 12.46781 6.199237 22.40549 9.199010 -9.937675      11.09290 
1 1 1 -29 26 27 o 11.77368 5.738278 -20.63535      21.39853 -25.45651      29.16511 -15.01387      31.49297 13.25301 6.509248 14.46263 7.029005 -1.209617      9.580043 
1 1 1 -29 26 28 o 19.17026 8.015935 29.61482       25.16495 19.93965       30.08392 52.16000       45.92317 17.66513 8.017596 20.91687 9.646747 -3.251740      12.54359 
1 1 1 -29 27 1  o 17.90960 7.405134 18.65873       21.13378 22.29988       31.32725 15.61761       28.62991 19.25843 8.498100 18.08259 8.043884 1.175842       11.70136 
1 1 1 -29 27 2  o 24.19627 7.872289 42.61732       21.36964 36.08961       31.77034 48.01083       28.87867 21.42069 8.985202 24.04059 9.039772 -2.619896      12.74564 
1 1 1 -29 27 3  o 27.10169 7.848998 52.63398       22.01514 28.77683       32.84917 72.08675       29.66237 20.25337 8.825629 29.76522 9.227700 -9.511852      12.76880 
1 1 1 -29 27 4  o 21.17036 7.873259 32.25599       21.78384 -45.46849      32.22203 97.68346       29.56338 13.10215 6.508456 36.77685 8.397552 -23.67470      10.62445 
1 1 1 -29 27 5  o 27.86448 7.864849 55.51966       22.38281 8.652930       32.87472 96.01902       30.56002 17.64890 8.147582 35.78932 8.788831 -18.14041      11.98443 
1 1 1 -29 27 6  o 19.23925 7.730021 24.45854       22.24545 44.00811       32.87223 7.941676       30.21512 22.71765 9.297391 17.23323 7.902741 5.484421       12.20225 
1 1 1 -29 27 7  o 24.95721 8.138293 46.50469       22.83150 45.70448       33.70448 47.18327       31.03740 22.94010 9.404337 23.51736 9.232440 -0.5772667     13.17875 
1 1 1 -29 27 8  o 14.02464 6.679765 -12.18686      25.26786 -27.88825      31.58416 15.73000       42.11467 14.10004 6.893610 19.18507 8.979170 -5.085037      11.32022 
1 1 1 -29 27 9  o 22.00559 8.542471 37.59065       26.33055 20.68818       32.76097 68.43000       44.25214 19.08584 8.539623 25.20773 10.59097 -6.121887      13.60492 
1 1 1 -29 27 10 o 16.39314 7.427326 6.786582       25.68109 28.60079       32.25148 -31.01000      42.45278 20.16191 8.765872 15.79428 7.776264 4.367620       11.71797 
1 1 1 -29 27 11 o 18.92513 7.983221 22.61352       25.30330 9.602326       33.05074 41.04000       39.33181 17.73057 8.179596 21.83576 9.582711 -4.105192      12.59897 
1 1 1 -29 27 12 o 21.19573 8.367486 33.83534       25.61949 12.66990       33.28762 64.59000       40.12588 18.10040 8.298326 25.19981 10.28777 -7.099411      13.21743 
1 1 1 -29 27 13 o 14.85671 6.818511 0.2737237      22.55563 12.86693       32.20016 -11.85836      31.60513 17.99488 8.216558 15.34386 7.352201 2.651020       11.02573 
1 1 1 -29 27 14 o 20.20951 8.396448 29.70557       27.35354 5.761362       33.42785 78.23000       47.58701 17.27733 8.057780 25.79272 10.91740 -8.515381      13.56899 
1 1 1 -29 27 15 o 13.77455 6.475998 -7.077958      22.33310 -24.98798      31.82030 10.30926       31.35244 14.24638 6.955262 17.47582 8.027324 -3.229443      10.62138 
1 1 1 -29 27 16 o 23.47318 9.561105 51.36768       34.56231 50.37000       60.54354 51.85000       42.09563 21.87686 10.39693 22.77763 9.956949 -0.9007702     14.39573 
1 1 1 -29 27 17 o 19.24235 8.515326 24.13337       31.67112 0.000000       0.000000 24.13337       31.67112 ?        ?        19.24235 8.515326 ?              ?        
1 1 1 -29 27 18 o 16.26271 7.664040 -0.7753733     31.61242 0.000000       0.000000 -0.7753733     31.61242 ?        ?        16.26271 7.664040 ?              ?        
1 1 1 -29 27 19 o 18.92965 8.251362 23.11575       28.73233 3.398000       60.16914 28.94016       32.70175 19.03107 9.347616 19.91086 8.737884 -0.8797951     12.79565 
1 1 1 -29 27 20 o 23.85639 9.062332 50.43310       29.19414 22.26000       60.01088 59.16785       33.41471 19.78580 9.635732 24.77548 9.621726 -4.989677      13.61708 
1 1 1 -29 27 21 o 13.62953 6.626684 -20.56439      28.06443 6.608000       59.23153 -28.43032      31.86867 18.82140 9.250595 13.83236 6.795896 4.989036       11.47858 
1 1 1 -29 27 22 o 14.90269 7.198677 -12.89773      31.75711 0.000000       0.000000 -12.89773      31.75711 ?        ?        14.90269 7.198677 ?              ?        
1 1 1 -29 27 23 o 20.98836 8.355240 36.69363       25.74614 17.30188       30.21443 88.10000       49.19426 17.70884 8.036460 25.22305 10.89657 -7.514214      13.53957 
1 1 1 -29 27 24 o 15.36518 6.938150 7.563177       22.18690 -4.320264      29.08397 24.10566       34.31491 15.03739 7.163341 18.58214 8.483704 -3.544754      11.10345 
1 1 1 -29 27 25 o 20.01528 7.782015 31.76043       21.87777 -8.495163      29.36522 81.97897       32.79836 14.60853 7.022550 28.79407 9.764660 -14.18554      12.02767 
1 1 1 -29 27 26 o 22.06367 8.358504 42.73243       24.79475 26.43488       29.50573 81.90000       45.74132 18.55408 8.214499 24.27226 10.49655 -5.718185      13.32875 
1 1 1 -29 28 1  o 35.24499 6.888546 80.54486       22.91239 44.29098       34.51420 109.1113       30.63717 22.52108 9.400162 39.07500 8.268515 -16.55392      12.51924 
1 1 1 -29 28 2  o 24.02194 7.993220 42.86622       21.98480 -0.1467002     32.93016 77.45406       29.52950 16.65531 7.840744 31.10878 9.113642 -14.45347      12.02230 
1 1 1 -29 28 3  o 28.16454 7.823520 56.73118       22.33688 5.919638       33.34137 98.10750       30.08695 17.33036 8.070749 36.45126 8.576631 -19.12090      11.77691 
1 1 1 -29 28 4  o 21.73983 7.892583 34.65381       21.67849 39.12475       32.74329 31.16449       28.92631 21.76627 9.125401 20.51483 8.587274 1.251446       12.53053 
1 1 1 -29 28 5  o 11.07364 5.450067 -29.77172      20.78967 -54.71337      31.19462 -9.841681      27.88504 12.31491 6.161934 14.80348 7.041217 -2.488576      9.356718 
1 1 1 -29 28 6  o 12.62847 6.051892 -15.35855      21.43002 8.400415       31.99544 -34.68880      28.85978 17.42956 8.043311 12.96042 6.386905 4.469143       10.27071 
1 1 1 -29 28 7  o 19.18856 7.720411 24.62060       22.22325 2.545979       32.79282 43.36887       30.22127 16.88735 7.910088 22.71247 9.048781 -5.825121      12.01873 
1 1 1 -29 28 8  o 28.53002 7.974173 59.10284       23.12798 43.85624       33.95515 72.29835       31.58872 22.42557 9.339150 28.83996 9.580912 -6.414391      13.37960 
1 1 1 -29 28 9  o 15.68080 7.037316 6.260550       22.43157 12.22319       34.05959 1.693120       29.80958 18.02922 8.312392 16.32825 7.613171 1.700972       11.27192 
1 1 1 -29 28 10 o 29.36907 8.945714 69.50776       28.02952 51.20109       35.77286 98.62000       45.11145 23.33262 9.639611 29.34833 11.23680 -6.015713      14.80499 
1 1 1 -29 28 11 o 16.97771 7.638088 11.10190       26.60654 13.20692       33.68283 7.609000       43.38841 18.00003 8.287138 18.29404 8.724371 -0.2940083     12.03293 
1 1 1 -29 28 12 o 23.09658 9.447342 49.12257       33.91820 49.12257       33.91820 0.000000       0.000000 23.09658 9.447342 ?        ?        ?              ?        
1 1 1 -29 28 13 o 12.96403 6.430586 -41.00978      31.02089 -41.00978      31.02089 0.000000       0.000000 12.96403 6.430586 ?        ?        ?              ?        
1 1 1 -29 28 14 o 16.64184 7.488138 9.984697       25.58327 26.50337       32.21955 -18.20000      42.08609 19.54072 8.620657 16.29076 7.963156 3.249964       11.73574 
1 1 1 -29 28 15 o 15.45254 7.420031 -10.78384      32.57596 0.000000       0.000000 -10.78384      32.57596 ?        ?        15.45254 7.420031 ?              ?        
1 1 1 -29 28 16 o 16.40783 7.341096 9.837294       24.20775 -12.44000      36.76807 26.88291       32.16222 15.94390 7.712367 19.56214 8.622239 -3.618240      11.56822 
1 1 1 -29 28 17 o 20.07652 7.942972 30.05311       23.13192 12.74991       32.46589 47.89439       32.96682 17.63467 8.125118 22.70863 9.304179 -5.073959      12.35254 
1 1 1 -29 28 18 o 21.01967 8.689191 37.02958       29.08991 23.12000       59.95753 41.31185       33.26778 19.67492 9.592768 21.44413 9.104674 -1.769207      13.22559 
1 1 1 -29 28 19 o 22.98018 8.973891 47.55496       29.19391 102.9000       60.85945 31.01341       33.27184 25.10270 11.39733 19.80593 8.747993 5.296770       14.36755 
1 1 1 -29 28 20 o 17.58508 7.913167 16.94356       28.57615 9.609000       58.69497 19.22218       32.71525 18.66076 9.178951 18.13962 8.282407 0.5211411      12.36331 
1 1 1 -29 28 21 o 16.15393 7.493506 6.789102       28.30991 -2.445000      58.30529 9.637648       32.38338 17.90647 8.870585 16.91244 7.901870 0.9940319      11.87968 
1 1 1 -29 28 22 o 25.74779 9.154829 62.17536       28.99566 57.11000       58.80513 63.80249       33.32896 20.92592 10.02740 24.72563 9.607420 -3.799717      13.88709 
1 1 1 -29 28 23 o 13.99597 6.751420 -11.72204      27.70105 -1.426000      55.36341 -15.16045      31.99387 17.50504 8.666767 14.46021 7.040692 3.044829       11.16621 
1 1 1 -29 28 24 o 15.66758 7.599370 -5.930330      36.32567 22.59000       65.58761 -18.55000      43.62832 18.74396 9.306693 15.66804 7.745716 3.075917       12.10829 
1 1 1 -29 29 1  o 22.55826 8.049429 38.88400       22.43532 29.23835       34.20613 46.16609       29.72117 19.97343 8.843676 23.07668 9.041964 -3.103251      12.64783 
1 1 1 -29 29 2  o 18.57192 7.602984 22.58917       21.99060 -8.785473      32.68123 48.54808       29.72707 15.64435 7.490877 23.57064 9.096577 -7.926287      11.78393 
1 1 1 -29 29 3  o 47.12619 5.404394 131.2921       24.47908 96.43391       36.14025 160.8411       33.27436 32.32936 10.20986 49.36845 7.088859 -17.03909      12.42952 
1 1 1 -29 29 4  o 37.96333 6.552781 92.04373       23.47006 69.22682       34.76848 111.1448       31.81163 26.73803 9.946179 38.47612 8.656749 -11.73809      13.18582 
1 1 1 -29 29 5  o 44.95775 5.663577 121.5358       24.37120 67.04235       34.90931 173.3470       34.03931 26.23507 9.922629 51.52851 6.923868 -25.29344      12.09953 
1 1 1 -29 29 6  o 18.93941 7.698491 24.33859       22.35287 7.887641       32.23715 39.57207       31.02135 17.19551 7.983451 21.62747 8.959745 -4.431967      12.00052 
1 1 1 -29 29 7  o 18.21618 7.564622 21.01816       22.18704 19.72613       31.96919 22.21873       30.81695 18.58251 8.365226 18.85673 8.369298 -0.2742252     11.83310 
1 1 1 -29 29 8  f 16.58153 7.250723 12.49157       22.33837 5.768713       32.55551 18.47298       30.70784 16.98803 7.932467 18.32197 8.227332 -1.333941      11.42861 
1 1 1 -29 29 9  o 17.68312 7.532928 18.22072       22.90489 13.69330       33.06504 22.39760       31.75923 17.90130 8.230419 18.90046 8.435740 -0.9991608     11.78565 
1 1 1 -29 29 10 o 14.54991 6.893703 -7.497799      26.22236 -6.398022      31.90314 -9.788000      46.03815 15.69771 7.484766 17.22616 8.400382 -1.528447      11.25114 
1 1 1 -29 29 11 o 18.66980 8.064692 22.31639       26.94161 15.59371       32.46081 37.20000       48.29948 18.08265 8.254002 20.81701 9.700980 -2.734364      12.73725 
1 1 1 -29 29 12 o 19.25198 8.147939 25.89917       26.50101 -3.815168      31.34950 100.3000       49.60626 15.82775 7.510357 27.81181 11.40617 -11.98406      13.65673 
1 1 1 -29 29 13 f 18.22871 8.443728 15.80795       35.74936 -6.618000      63.34261 26.29000       43.30555 18.49867 9.178219 19.60766 9.153443 -1.108990      12.96245 
1 1 1 -29 29 14 o 20.14189 8.470528 32.04005       28.34810 7.941000       37.11838 65.77000       43.91338 17.47265 8.255604 23.78003 10.28418 -6.307384      13.18785 
1 1 1 -29 29 15 o 18.94531 8.054903 25.52120       26.10052 20.26360       32.34789 35.33000       44.18351 18.37716 8.330059 20.25355 9.383542 -1.876390      12.54754 
1 1 1 -29 29 16 o 17.15001 7.615222 15.31087       25.54265 -5.404528      31.29858 56.62000       44.19785 15.45175 7.380179 22.38767 9.974475 -6.935923      12.40795 
1 1 1 -29 29 17 o 18.97307 8.030097 26.55828       25.74108 6.018434       31.53496 67.57000       44.56026 16.52249 7.744870 23.47912 10.25434 -6.956625      12.85047 
1 1 1 -29 29 18 o 18.13228 7.597135 22.76758       22.67277 28.14697       30.78589 16.39177       33.51608 19.10259 8.427052 17.70994 8.193730 1.392654       11.75383 
1 1 1 -29 29 19 o 10.71749 5.327575 -35.07527      21.73869 -38.76173      29.46511 -30.67180      32.20335 12.44555 6.189230 13.49649 6.668965 -1.050944      9.098443 
1 1 1 -29 29 20 o 13.18964 6.263393 -7.487463      21.88643 -23.28054      29.44993 11.99610       32.71035 13.39592 6.571624 16.94356 7.924652 -3.547635      10.29497 
1 1 1 -29 29 21 o 17.26078 7.827530 17.33161       28.60152 -40.50000      57.07952 36.72034       33.05007 15.99484 8.048737 19.94609 8.767807 -3.951244      11.90196 
1 1 1 -29 29 22 o 14.52534 7.117227 -17.00505      34.22822 -17.31000      56.67933 -16.83000      42.94278 16.65102 8.327753 15.58934 7.702729 1.061683       11.34387 
1 1 1 -29 30 1  o 21.39419 8.090144 35.28045       23.20338 -8.359815      32.70897 79.48868       32.92113 15.61697 7.482116 29.53454 9.779849 -13.91757      12.31371 
1 1 1 -29 30 2  o 20.29445 7.980680 30.72453       23.22559 2.814948       33.03894 57.99137       32.65628 16.70050 7.859432 24.80026 9.543906 -8.099764      12.36353 
1 1 1 -29 30 3  o 17.02723 7.397891 14.83323       22.93782 -30.13230      32.48095 59.56709       32.39717 13.90985 6.839315 25.17421 9.550347 -11.26436      11.74672 
1 1 1 -29 30 4  o 19.04050 7.744915 25.13707       22.64166 3.032174       31.55545 48.59377       32.50600 16.51754 7.744094 22.97956 9.304549 -6.462027      12.10560 
1 1 1 -29 30 5  o 11.19762 5.520472 -30.39227      21.63606 -60.02911      30.39618 0.4501424E-01  30.80392 11.73318 5.900160 16.09408 7.578656 -4.360901      9.604578 
1 1 1 -29 30 6  o 22.41832 8.140141 39.44396       23.06092 29.59106       31.87819 50.26083       33.40123 19.81463 8.663149 23.09075 9.401453 -3.276121      12.78427 
1 1 1 -29 30 7  o 18.64657 7.707154 23.65964       22.88193 55.80624       31.61841 -11.68995      33.15619 24.39995 9.390718 15.32834 7.392189 9.071609       11.95115 
1 1 1 -29 30 8  o 14.95957 6.987967 -1.129202      25.30396 -16.49657      30.40042 33.53000       45.65508 14.42194 6.984948 20.17287 9.411070 -5.750936      11.71997 
1 1 1 -29 30 9  o 15.02428 7.016809 -0.6127223     25.49273 -9.204679      30.88087 17.77000       45.16983 15.09362 7.241580 18.77267 8.938330 -3.679049      11.50366 
1 1 1 -29 30 10 o 14.12178 6.733598 -9.222077      25.82577 -9.052983      30.46447 -9.654000      48.68915 15.01333 7.200303 17.16652 8.427136 -2.153190      11.08427 
1 1 1 -29 30 11 o 20.89157 8.799054 37.90619       30.66278 39.68000       64.13747 37.38065       34.91085 20.37849 9.932637 20.57813 9.029532 -0.1996441     13.42348 
1 1 1 -29 30 12 f 20.02828 8.144278 31.59290       25.02806 18.72000       36.29739 43.26076       34.55676 18.28252 8.482335 21.38538 9.184532 -3.102859      12.50222 
1 1 1 -29 30 13 o 14.91879 6.937549 1.014301       24.49512 29.84000       35.37719 -25.53188      33.94957 19.42092 8.766077 14.24780 7.002848 5.173113       11.21980 
1 1 1 -29 30 14 o 24.97203 8.193441 50.50030       23.12561 21.10904       31.56710 84.54552       33.97455 18.17489 8.234602 29.23725 9.937921 -11.06236      12.90624 
1 1 1 -29 30 15 o 19.76560 8.153847 31.71772       25.54433 23.46280       31.15494 48.65000       44.61983 18.36501 8.263458 20.98474 9.615788 -2.619730      12.67865 
1 1 1 -29 30 16 o 17.37418 7.626682 19.01333       24.92817 3.614177       30.26505 51.50000       43.95877 15.88961 7.491499 21.16120 9.638420 -5.271589      12.20744 
1 1 1 -29 30 17 o 13.94781 6.635164 -6.022790      24.77936 -21.71614      30.21993 26.18000       43.28949 13.62851 6.679805 18.65355 8.843695 -5.025049      11.08290 
1 1 1 -29 30 18 o 41.09219 7.309777 119.4375       28.32388 106.0862       34.74198 145.9000       48.91102 33.20356 9.926121 32.85495 11.86526 0.3486137      15.46972 
1 1 1 -29 30 19 o 13.74004 6.568939 -7.687247      24.92347 -24.44605      30.21808 27.97000       44.07772 13.37239 6.579328 18.65339 8.866757 -5.281002      11.04115 
1 1 1 -29 31 1  o 20.51352 7.979804 33.08297       23.01319 7.146550       31.82507 61.50867       33.31731 16.69839 7.812161 24.73548 9.607275 -8.037086      12.38263 
1 1 1 -29 31 2  o 13.39017 6.367048 -9.130548      22.76619 -28.77466      32.06604 10.83590       32.32806 13.72676 6.758329 17.14106 7.970615 -3.414303      10.45015 
1 1 1 -29 31 3  o 27.12202 8.364794 59.07856       24.41102 38.51987       35.08405 78.37151       33.98689 20.62508 9.050963 28.06953 9.918151 -7.444448      13.42720 
1 1 1 -29 31 4  o 17.12297 7.403408 17.00612       22.74640 8.539454       32.01443 25.63752       32.32435 16.84470 7.865783 18.89852 8.467172 -2.053816      11.55697 
1 1 1 -29 31 5  o 15.86099 7.093695 9.809435       22.58024 -13.77982      31.52606 34.65813       32.35671 14.69587 7.116539 20.14304 8.768643 -5.447171      11.29311 
1 1 1 -29 31 6  o 17.90828 7.918483 20.23478       27.33283 -28.30290      33.15506 123.2000       48.28982 13.91890 6.856643 30.53539 11.64193 -16.61649      13.51104 
1 1 1 -29 31 7  o 20.01384 8.373919 33.00922       27.48872 35.73906       33.65688 27.54000       47.63958 20.16004 8.855351 19.25667 9.171782 0.9033642      12.74907 
1 1 1 -29 31 8  o 14.55417 7.049964 -13.59692      30.99632 -13.59692      30.99632 0.000000       0.000000 14.55417 7.049964 ?        ?        ?              ?        
1 1 1 -29 31 9  o 16.07222 7.774514 -5.082421      37.36531 -26.51000      62.81424 6.652000       46.48388 17.11616 8.589877 17.65309 8.570361 -0.5369282     12.13413 
1 1 1 -29 31 10 o 18.45233 7.836078 24.90145       24.65181 -4.281000      36.17328 50.20776       33.68538 15.94298 7.696683 22.17350 9.273143 -6.230521      12.05115 
1 1 1 -29 31 11 o 18.03264 7.730582 22.89495       24.39920 4.245000       34.97049 40.58527       34.05892 16.46919 7.848060 20.56190 8.972916 -4.092710      11.92079 
1 1 1 -29 31 12 o 16.60553 7.282050 15.67085       22.67542 5.069130       30.13743 29.50306       34.42419 15.97117 7.513146 18.98054 8.599446 -3.009377      11.41919 
1 1 1 -29 31 13 o 18.01655 7.593363 23.61537       22.86037 6.492606       30.56018 45.37004       34.44650 16.09876 7.570824 20.99530 9.094116 -4.896542      11.83302 
1 1 1 -29 31 14 o 14.48136 6.688885 2.970505       22.20024 -18.48607      29.49720 31.00318       33.71575 13.67299 6.679916 18.98621 8.564919 -5.313219      10.86182 
1 1 1 -29 31 15 o 21.45033 8.010260 38.83452       22.59382 46.22416       30.67064 30.06604       33.40976 21.55254 8.917005 18.90060 8.526162 2.651945       12.33728 
1 1 1 -29 31 16 o 11.04206 5.494208 -35.15833      23.34506 -42.30765      28.17209 -19.49000      41.70596 11.78295 5.889767 15.24194 7.541971 -3.458991      9.569258 
1 1 1 -29 32 1  o 20.81069 8.078626 36.48362       23.54877 13.03650       32.40954 62.70708       34.27465 17.00379 7.931499 23.98144 9.608882 -6.977644      12.45951 
1 1 1 -29 32 2  o 18.29050 7.667131 24.76019       23.10954 -17.09876      31.86446 71.20755       33.56548 14.26127 6.962002 25.85218 9.740396 -11.59090      11.97267 
1 1 1 -29 32 3  o 21.67062 8.143552 39.99387       23.42846 27.18205       32.22148 54.36514       34.12619 18.64640 8.395715 22.52487 9.370120 -3.878469      12.58122 
1 1 1 -29 32 4  o 22.50935 8.674809 46.98667       27.00712 15.07326       32.63013 116.4000       48.12311 17.20749 8.003626 28.35037 11.37675 -11.14288      13.91001 
1 1 1 -29 32 5  o 18.24769 7.914938 24.88289       26.16621 13.51237       31.76614 48.88000       46.14807 16.95567 7.890033 20.51667 9.534438 -3.561005      12.37571 
1 1 1 -29 32 6  o 15.70851 7.461619 2.199757       31.10433 2.199757       31.10433 0.000000       0.000000 15.70851 7.461619 ?        ?        ?              ?        
1 1 1 -29 32 7  o 32.19899 9.519738 96.11076       32.09599 8.161000       63.31025 126.5341       37.23573 17.99727 8.969913 36.31398 10.10636 -18.31671      13.51288 
1 1 1 -29 32 8  o 13.40591 6.431574 -9.631430      24.35294 -51.19000      35.98116 25.49931       33.08175 12.89309 6.474736 18.25176 8.331722 -5.358670      10.55177 
1 1 1 -29 32 9  o 19.63527 8.070831 32.79080       24.90798 -9.223000      36.72967 68.56282       33.89166 15.37284 7.498065 24.86334 9.680507 -9.490502      12.24472 
1 1 1 -29 32 10 o 19.83395 7.914949 32.78976       23.15984 -6.003810      31.99924 75.46644       33.56256 15.03414 7.253238 26.42008 9.782615 -11.38594      12.17822 
1 1 1 -29 32 11 o 21.51172 8.180554 40.60461       23.80519 25.28653       31.98869 59.61637       35.63736 18.18596 8.259321 22.76635 9.530744 -4.580389      12.61156 
1 1 1 -29 32 12 o 17.70279 7.814626 23.23827       26.51478 7.280677       31.30758 63.72000       49.86493 16.01252 7.570574 21.04682 9.824280 -5.034296      12.40282 
1 1 1 -29 33 1  o 15.12630 7.196566 0.9616379      29.16582 21.36000       63.19029 -4.560238      32.87729 18.16805 9.039795 15.10114 7.301847 3.066914       11.62045 
1 1 1 -29 33 2  o 20.11342 8.876326 42.36166       34.18652 40.02000       62.52988 43.36000       40.82880 18.96882 9.357996 19.75548 9.105669 -0.7866592     13.05700 
1 1 1 -29 33 3  o 23.46867 11.05112 123.1000       65.49323 123.1000       65.49323 0.000000       0.000000 23.46867 11.05112 ?        ?        ?              ?        
1 1 1 -29 33 4  o 17.25531 7.903810 19.92494       30.10713 19.92494       30.10713 0.000000       0.000000 17.25531 7.903810 ?        ?        ?              ?        
1 1 1 -28 0  1  o 37.72066 5.887514 76.46889       20.15951 76.46889       20.15951 76.46889       20.15951 37.72066 5.887514 37.72066 5.887514 -0.000000      0.000000 
1 1 1 -28 0  2  o 22.59809 8.652833 35.52433       18.06569 35.52433       18.06569 35.52433       18.06569 22.59809 8.652833 22.59809 8.652833 0.000000       0.000000 
1 1 1 -28 0  3  o 19.69183 9.091027 29.44914       19.28232 29.44914       19.28232 29.44914       19.28232 19.69183 9.091027 19.69183 9.091027 -0.000000      0.000000 
1 1 1 -28 0  4  o 46.92078 5.159460 114.1393       22.96691 114.1393       22.96691 114.1393       22.96691 46.92078 5.159460 46.92078 5.159460 0.000000       0.000000 
1 1 1 -28 0  5  o 16.52528 8.701627 21.00436       18.69074 21.00436       18.69074 21.00436       18.69074 16.52528 8.701627 16.52528 8.701627 0.000000       0.000000 
1 1 1 -28 0  6  f 23.48189 9.047225 38.67963       19.69737 38.67963       19.69737 38.67963       19.69737 23.48189 9.047225 23.48189 9.047225 0.000000       0.000000 
1 1 1 -28 0  7  o 24.19557 9.090585 40.64664       20.11416 40.64664       20.11416 40.64664       20.11416 24.19557 9.090585 24.19557 9.090585 0.000000       0.000000 
1 1 1 -28 0  8  o 9.527115 6.434013 -6.857198      17.50192 -6.857198      17.50192 -6.857198      17.50192 9.527115 6.434013 9.527115 6.434013 -0.000000      0.000000 
1 1 1 -28 0  9  o 16.62652 8.979217 21.27106       20.34350 21.27106       20.34350 21.27106       20.34350 16.62652 8.979217 16.62652 8.979217 -0.000000      0.000000 
1 1 1 -28 0  10 o 67.20358 4.749274 229.2980       30.87596 229.2980       30.87596 229.2980       30.87596 67.20358 4.749274 67.20358 4.749274 0.000000       0.000000 
1 1 1 -28 0  11 o 108.3446 4.674033 590.6425       49.35804 590.6425       49.35804 590.6425       49.35804 108.3446 4.674033 108.3446 4.674033 -0.000000      0.000000 
1 1 1 -28 0  12 o 17.55662 9.138425 24.18400       20.43704 24.18400       20.43704 24.18400       20.43704 17.55662 9.138425 17.55662 9.138425 0.000000       0.000000 
1 1 1 -28 0  13 o 10.23880 6.842563 -4.773951      18.86064 -4.773951      18.86064 -4.773951      18.86064 10.23880 6.842563 10.23880 6.842563 -0.000000      0.000000 
1 1 1 -28 0  14 o 14.02709 8.359981 12.50564       20.19345 12.50564       20.19345 12.50564       20.19345 14.02709 8.359981 14.02709 8.359981 -0.000000      0.000000 
1 1 1 -28 0  15 o 46.65099 6.292126 116.6818       27.26219 116.6818       27.26219 116.6818       27.26219 46.65099 6.292126 46.65099 6.292126 0.000000       0.000000 
1 1 1 -28 0  16 o 10.20048 6.950972 -9.894722      21.37930 -9.894722      21.37930 -9.894722      21.37930 10.20048 6.950972 10.20048 6.950972 -0.000000      0.000000 
1 1 1 -28 0  17 o 33.31326 9.070937 69.35003       25.56529 69.35003       25.56529 69.35003       25.56529 33.31326 9.070937 33.31326 9.070937 -0.000000      0.000000 
1 1 1 -28 0  18 o 61.73653 5.471199 198.1877       32.43750 198.1877       32.43750 198.1877       32.43750 61.73653 5.471199 61.73653 5.471199 0.000000       0.000000 
1 1 1 -28 0  19 o 15.17211 9.103039 15.57005       24.25290 15.57005       24.25290 15.57005       24.25290 15.17211 9.103039 15.17211 9.103039 -0.000000      0.000000 
1 1 1 -28 0  20 o 32.43937 9.635481 68.85335       26.61689 68.85335       26.61689 68.85335       26.61689 32.43937 9.635481 32.43937 9.635481 0.000000       0.000000 
1 1 1 -28 0  21 o 29.21630 10.14925 60.07435       26.20091 60.07435       26.20091 60.07435       26.20091 29.21630 10.14925 29.21630 10.14925 0.000000       0.000000 
1 1 1 -28 0  22 f 12.81412 8.517936 -1.805000      28.56345 -1.805000      28.56345 -1.805000      28.56345 12.81412 8.517936 12.81412 8.517936 -0.000000      0.000000 
1 1 1 -28 0  23 o 14.42949 9.971304 -19.04000      47.65571 -19.04000      47.65571 -19.04000      47.65571 14.42949 9.971304 14.42949 9.971304 0.000000       0.000000 
1 1 1 -28 0  24 o 23.99997 10.91052 47.72814       27.73133 47.72814       27.73133 47.72814       27.73133 23.99997 10.91052 23.99997 10.91052 0.000000       0.000000 
1 1 1 -28 0  25 o 60.59541 6.017269 195.9745       34.82280 195.9745       34.82280 195.9745       34.82280 60.59541 6.017269 60.59541 6.017269 0.000000       0.000000 
1 1 1 -28 0  26 o 32.63588 10.61196 74.75289       29.99130 74.75289       29.99130 74.75289       29.99130 32.63588 10.61196 32.63588 10.61196 -0.000000      0.000000 
1 1 1 -28 0  27 f 20.99937 10.91972 39.52221       29.16068 39.52221       29.16068 39.52221       29.16068 20.99937 10.91972 20.99937 10.91972 -0.000000      0.000000 
1 1 1 -28 0  28 o 13.31480 8.722281 3.505584       28.27304 3.505584       28.27304 3.505584       28.27304 13.31480 8.722281 13.31480 8.722281 0.000000       0.000000 
1 1 1 -28 0  29 o 18.65342 12.01199 26.09000       50.53226 26.09000       50.53226 26.09000       50.53226 18.65342 12.01199 18.65342 12.01199 0.000000       0.000000 
1 1 1 -28 0  30 o 17.30317 11.34242 16.61000       47.92719 16.61000       47.92719 16.61000       47.92719 17.30317 11.34242 17.30317 11.34242 -0.000000      0.000000 
1 1 1 -28 0  31 o 13.05091 9.142833 -25.23000      43.91183 -25.23000      43.91183 -25.23000      43.91183 13.05091 9.142833 13.05091 9.142833 0.000000       0.000000 
1 1 1 -28 0  32 o 23.49704 11.31793 50.04478       30.15919 50.04478       30.15919 50.04478       30.15919 23.49704 11.31793 23.49704 11.31793 0.000000       0.000000 
1 1 1 -28 0  33 o 17.94267 11.10810 28.71000       38.68327 28.71000       38.68327 28.71000       38.68327 17.94267 11.10810 17.94267 11.10810 -0.000000      0.000000 
1 1 1 -28 0  34 o 15.36020 10.16111 9.546000       39.84720 9.546000       39.84720 9.546000       39.84720 15.36020 10.16111 15.36020 10.16111 -0.000000      0.000000 
1 1 1 -28 0  35 o 17.31722 10.47634 27.27282       32.66486 27.27282       32.66486 27.27282       32.66486 17.31722 10.47634 17.31722 10.47634 -0.000000      0.000000 
1 1 1 -28 0  36 o 18.67962 10.87375 33.93127       32.78962 33.93127       32.78962 33.93127       32.78962 18.67962 10.87375 18.67962 10.87375 -0.000000      0.000000 
1 1 1 -28 0  37 o 25.00331 11.89537 59.23454       33.20061 59.23454       33.20061 59.23454       33.20061 25.00331 11.89537 25.00331 11.89537 0.000000       0.000000 
1 1 1 -28 0  38 o 13.53142 8.988411 3.924194       31.71235 3.924194       31.71235 3.924194       31.71235 13.53142 8.988411 13.53142 8.988411 0.000000       0.000000 
1 1 1 -28 0  39 o 32.41311 11.66372 83.35394       33.87357 83.35394       33.87357 83.35394       33.87357 32.41311 11.66372 32.41311 11.66372 -0.000000      0.000000 
1 1 1 -28 0  40 o 9.614067 6.899872 -38.78286      30.92057 -38.78286      30.92057 -38.78286      30.92057 9.614067 6.899872 9.614067 6.899872 -0.000000      0.000000 
1 1 1 -28 0  41 o 14.82260 9.558850 13.81857       32.15026 13.81857       32.15026 13.81857       32.15026 14.82260 9.558850 14.82260 9.558850 -0.000000      0.000000 
1 1 1 -28 0  42 o 10.43683 7.417838 -30.17991      32.48893 -30.17991      32.48893 -30.17991      32.48893 10.43683 7.417838 10.43683 7.417838 -0.000000      0.000000 
1 1 1 -28 0  43 o 12.46603 8.571647 -7.771230      34.17906 -7.771230      34.17906 -7.771230      34.17906 12.46603 8.571647 12.46603 8.571647 -0.000000      0.000000 
1 1 1 -28 0  44 o 10.95975 7.752636 -25.34516      34.05607 -25.34516      34.05607 -25.34516      34.05607 10.95975 7.752636 10.95975 7.752636 -0.000000      0.000000 
1 1 1 -28 0  45 o 9.136725 6.658576 -60.62535      34.93084 -60.62535      34.93084 -60.62535      34.93084 9.136725 6.658576 9.136725 6.658576 -0.000000      0.000000 
1 1 1 -28 0  46 o 14.92246 10.36318 0.5305000      53.11943 0.5305000      53.11943 0.5305000      53.11943 14.92246 10.36318 14.92246 10.36318 0.000000       0.000000 
1 1 1 -28 1  1  o 30.08311 4.590135 46.94564       13.08881 35.33728       18.98838 57.45447       18.06673 25.26407 7.281273 32.82988 5.836027 -7.565807      9.331461 
1 1 1 -28 1  2  o 42.15519 3.759662 89.91556       15.35073 66.49820       21.52355 114.1587       21.89977 35.05137 6.513086 47.07086 4.821192 -12.01949      8.103344 
1 1 1 -28 1  3  o 53.43641 3.272591 143.0572       17.03520 142.7349       24.60066 143.3541       23.61254 52.67413 4.824910 52.90197 4.605866 -0.2278442     6.670364 
1 1 1 -28 1  4  o 50.79207 3.408458 129.5686       16.84763 151.9440       24.88369 110.6301       22.89290 54.40811 4.719075 46.15786 5.154879 8.250252       6.988737 
1 1 1 -28 1  5  o 45.68214 3.655663 105.3471       16.20996 117.7946       23.61631 94.25856       22.28986 47.63792 5.146282 42.38935 5.501774 5.248569       7.533508 
1 1 1 -28 1  6  o 40.15016 4.010846 82.06430       15.55193 98.78571       22.61799 67.06940       21.41851 43.42761 5.439877 35.19792 6.454577 8.229691       8.441198 
1 1 1 -28 1  7  o 17.94003 6.247124 15.79565       13.45120 17.15114       19.23781 14.49908       18.81498 19.55992 7.373113 18.74619 7.236327 0.8137207      10.33089 
1 1 1 -28 1  8  o 37.08718 4.352345 70.68205       15.49956 83.16109       22.28696 58.99299       21.57000 39.51213 5.946716 32.67956 6.956823 6.832569       9.152094 
1 1 1 -28 1  9  o 53.19610 3.561445 142.6206       18.43754 135.0506       26.03109 150.2415       26.11838 50.87797 5.304883 53.86115 5.011598 -2.983177      7.297801 
1 1 1 -28 1  10 f 18.48290 6.363180 17.14101       13.93860 31.53384       20.75385 5.314190       18.81306 23.92471 7.756096 16.47005 6.911797 7.454657       10.38894 
1 1 1 -28 1  11 o 29.12216 5.507335 45.31794       15.12402 69.70333       22.27084 24.44710       20.60353 35.71217 6.614635 21.76806 7.719384 13.94410       10.16574 
1 1 1 -28 1  12 o 25.23282 6.077865 34.79406       14.83200 41.15469       21.45403 28.97076       20.52784 26.90127 7.735411 23.07990 7.724775 3.821377       10.93200 
1 1 1 -28 1  13 o 19.43926 6.422843 19.79362       14.20158 20.45581       20.14227 19.13903       20.02638 20.52123 7.582082 20.14001 7.537273 0.3812218      10.69105 
1 1 1 -28 1  14 o 40.18167 4.471190 83.46532       17.28811 57.95023       23.88494 111.5419       25.05519 31.75473 7.752926 45.80021 5.712730 -14.04548      9.630324 
1 1 1 -28 1  15 o 12.05646 5.488111 -6.720479      14.22494 0.4773605      19.60497 -14.72282      20.67158 15.62057 6.812307 13.59202 6.338181 2.028543       9.304841 
1 1 1 -28 1  16 o 20.42918 6.769890 22.46834       15.77433 15.11970       21.98232 30.26959       22.64915 19.35741 7.715645 23.34838 8.107778 -3.990971      11.19228 
1 1 1 -28 1  17 o 47.28010 4.365999 115.6105       19.97733 102.8538       27.94585 128.9422       28.56887 42.94559 6.880225 48.75280 6.121292 -5.807209      9.209110 
1 1 1 -28 1  18 o 13.70422 6.087384 -2.546566      16.33652 -32.62191      22.97613 28.20408       23.23265 12.40662 6.023760 22.64134 8.177439 -10.23472      10.15658 
1 1 1 -28 1  19 o 19.80107 7.050482 20.64984       17.20342 47.50636       24.40319 -5.883899      24.25610 28.00549 8.306194 15.91926 7.214896 12.08623       11.00216 
1 1 1 -28 1  20 o 24.36058 7.003870 34.43144       17.58922 23.94292       24.52998 45.53138       25.23483 21.49651 8.271865 27.19180 8.523858 -5.695288      11.87771 
1 1 1 -28 1  21 o 34.82986 6.286562 68.09373       20.64396 60.26060       27.00887 79.10000       32.01540 31.01708 8.597967 35.10947 9.205029 -4.092388      12.59594 
1 1 1 -28 1  22 o 42.25027 6.343130 100.0092       25.42315 32.44000       51.22796 122.0887       29.28377 25.24609 11.01100 46.48676 6.622710 -21.24067      12.84922 
1 1 1 -28 1  23 o 45.01568 5.293496 109.4863       22.87923 105.5000       34.99643 112.4618       30.23543 40.77471 9.008948 43.89933 7.292158 -3.124626      11.59037 
1 1 1 -28 1  24 f 18.82183 7.837734 13.45890       23.91227 0.3735035      27.00211 61.02000       51.47901 17.29456 7.744394 28.58604 11.65928 -11.29148      13.99694 
1 1 1 -28 1  25 o 48.48281 4.791619 125.3252       22.44223 112.1095       31.36890 139.1820       32.12067 43.22707 7.695885 49.12729 6.867022 -5.900219      10.31420 
1 1 1 -28 1  26 o 36.97728 6.109147 77.26286       21.34021 65.23620       30.36373 89.00217       29.99880 31.11733 9.274160 37.63706 8.360359 -6.519724      12.48622 
1 1 1 -28 1  27 o 45.95385 5.126970 114.4743       22.66918 124.0934       32.12275 104.9311       31.99575 45.58224 7.457267 41.02438 8.254083 4.557858       11.12388 
1 1 1 -28 1  28 o 44.32347 5.384352 107.8852       22.88145 121.2171       31.89679 93.75110       32.84245 44.85595 7.531407 37.73174 9.015899 7.124210       11.74770 
1 1 1 -28 1  29 o 28.07047 8.598974 52.32957       25.85081 42.68718       29.44516 84.75000       53.99221 25.15270 9.188315 30.69921 12.13842 -5.546503      15.22387 
1 1 1 -28 1  30 o 19.57882 8.708957 10.55425       33.55484 5.182000       47.53481 15.89000       47.37302 20.88717 9.696350 21.89077 9.984209 -1.003595      13.91775 
1 1 1 -28 1  31 o 36.08807 7.881483 82.19942       27.05900 30.17000       48.84845 105.2319       32.50103 23.34960 10.43891 40.22260 8.520457 -16.87301      13.47476 
1 1 1 -28 1  32 o 31.94495 7.819722 65.33126       24.25042 38.56000       40.32257 80.50114       30.35324 23.82633 10.06562 34.25256 8.954404 -10.42622      13.47212 
1 1 1 -28 1  33 o 13.42231 6.374180 -16.33825      22.67275 -2.509000      35.93539 -25.48400      29.22352 18.04543 8.395349 14.40432 6.944920 3.641109       10.89559 
1 1 1 -28 1  34 o 16.35065 7.330059 2.908580       24.26503 1.446633       30.38982 5.480000       40.30407 17.41960 7.964648 19.41221 8.982686 -1.992611      12.00518 
1 1 1 -28 1  35 o 13.39422 6.425364 -20.47839      24.29314 -21.03504      30.48587 -19.51000      40.21001 14.99238 7.193564 17.08720 8.214992 -2.094814      10.91941 
1 1 1 -28 1  36 o 35.67251 7.196547 79.35696       24.26056 58.59411       34.29684 100.1508       34.32240 27.16359 9.917451 37.23018 9.414186 -10.06659      13.67416 
1 1 1 -28 1  37 o 16.51611 7.244988 7.185913       22.46021 31.67916       32.24270 -15.90355      31.30511 21.87062 9.103724 15.59237 7.428874 6.278251       11.75015 
1 1 1 -28 1  38 o 21.80979 8.099965 31.64528       23.04154 18.62684       32.76709 44.37932       32.40720 19.82490 8.721812 24.18486 9.451809 -4.359961      12.86105 
1 1 1 -28 1  39 o 24.30672 8.192465 41.05103       23.08588 53.49117       32.51274 28.40113       32.78570 25.98970 9.627457 21.24796 9.030582 4.741737       13.19998 
1 1 1 -28 1  40 o 41.36346 6.200633 101.4853       24.33222 78.53520       34.04697 125.4437       34.78688 31.39165 9.909248 42.82154 8.598378 -11.42989      13.11965 
1 1 1 -28 1  41 o 27.55059 8.204597 53.25861       23.77144 57.23580       34.13752 49.51469       33.12130 26.25746 9.837873 24.81768 9.595432 1.439783       13.74249 
1 1 1 -28 1  42 o 20.75144 8.127414 28.30621       24.00434 24.35364       34.23536 32.12848       33.66631 20.47925 8.965149 21.62700 9.169714 -1.147747      12.82410 
1 1 1 -28 1  43 o 13.68400 6.522082 -15.06211      24.17563 -7.634487      34.62735 -22.12559      33.76787 16.67759 7.907664 15.28763 7.393972 1.389960       10.82599 
1 1 1 -28 1  44 o 15.77462 7.194151 2.096632       24.59011 40.77099       34.94804 -35.82401      34.60581 22.50758 9.431334 14.37053 7.064565 8.137051       11.78381 
1 1 1 -28 1  45 o 21.05905 8.752092 33.24774       29.73279 35.81700       35.85378 27.59000       53.20500 21.37307 9.267805 20.77487 9.836133 0.5981979      13.51450 
1 1 1 -28 1  46 o 19.15399 8.100137 24.04052       26.15717 26.99658       37.49216 21.23715       36.51099 19.97536 9.019582 19.26152 8.777373 0.7138329      12.58551 
1 1 1 -28 2  1  o 29.52645 5.972443 46.88863       16.66746 48.74000       24.48528 45.29000       22.75266 29.24142 8.216304 28.30578 7.908368 0.9356327      11.40394 
1 1 1 -28 2  2  o 42.88878 3.747443 93.04816       15.57417 109.9886       23.35523 79.48322       20.89927 45.95725 5.288147 38.81021 5.668713 7.147045       7.752342 
1 1 1 -28 2  3  o 76.99020 2.983406 295.4018       22.44043 302.2794       32.70594 289.2839       30.84673 77.11160 4.350768 75.53400 4.188555 1.577599       6.039302 
1 1 1 -28 2  4  o 58.50972 3.262362 171.4348       18.60987 152.9031       26.52403 189.4024       26.11734 54.39671 5.038769 60.95078 4.407444 -6.554062      6.694383 
1 1 1 -28 2  5  o 33.25143 4.559333 57.17353       14.44910 76.63584       21.87976 42.12144       19.24172 37.85989 6.112278 27.52822 7.096024 10.33167       9.365549 
1 1 1 -28 2  6  o 43.15660 3.901979 94.53613       16.30518 94.70462       23.52070 94.38024       22.62349 42.29629 5.836641 42.34906 5.594399 -0.5277634E-01 8.084782 
1 1 1 -28 2  7  o 46.53259 3.772319 109.5872       17.03471 111.0013       24.45927 108.2553       23.73833 45.98201 5.546266 45.45889 5.442957 0.5231285      7.770897 
1 1 1 -28 2  8  o 24.62100 5.902549 32.88123       14.04023 41.18746       20.48113 25.51714       19.28463 27.05804 7.482110 21.98876 7.487071 5.069275       10.58481 
1 1 1 -28 2  9  o 35.70665 4.516729 65.86204       15.43365 59.28204       22.37354 71.83564       21.31768 32.60971 7.201976 36.53290 6.181673 -3.923187      9.491130 
1 1 1 -28 2  10 o 24.45353 5.999865 32.56993       14.25142 28.78736       20.73661 35.95573       19.61890 23.07733 7.764390 25.33339 7.430373 -2.256063      10.74691 
1 1 1 -28 2  11 f 29.42492 5.363959 46.07032       14.88019 63.04301       21.75974 31.16114       20.39412 33.81488 6.809933 23.76250 7.687385 10.05238       10.26991 
1 1 1 -28 2  12 o 35.45508 4.814670 65.53397       16.27768 71.54826       23.52355 60.00833       22.54768 35.98507 6.929822 32.72422 7.232025 3.260853       10.01622 
1 1 1 -28 2  13 o 17.04382 6.381917 12.80801       14.36133 8.082824       20.41047 17.44128       20.21098 17.51129 7.262234 19.71057 7.527576 -2.199276      10.45966 
1 1 1 -28 2  14 o 10.69561 5.037497 -13.07163      13.62141 -15.13285      19.26711 -11.01192      19.26006 12.99604 6.079542 13.57822 6.256848 -0.5821838     8.724046 
1 1 1 -28 2  15 o 12.06533 5.495229 -6.810228      14.28712 -0.5157377     19.79580 -13.65353      20.64076 15.49275 6.798719 13.71773 6.375411 1.775017       9.320325 
1 1 1 -28 2  16 o 33.74492 5.319930 60.76312       16.99062 90.60726       24.12269 31.38124       23.93514 40.76333 6.244339 23.71534 8.328010 17.04799       10.40901 
1 1 1 -28 2  17 f 31.19825 5.796028 53.04570       17.04835 66.75497       23.79072 38.57495       24.44251 34.13011 7.339571 25.61663 8.424479 8.513483       11.17323 
1 1 1 -28 2  18 o 11.14733 5.281055 -15.44577      15.38170 1.440503       21.57457 -32.90251      21.93596 16.30318 7.127423 11.98510 5.834281 4.318089       9.210809 
1 1 1 -28 2  19 o 19.75041 7.200868 20.15278       18.07190 19.84141       23.32913 20.62000       28.57710 20.46739 8.013433 21.45924 8.711283 -0.9918537     11.83645 
1 1 1 -28 2  20 o 13.68303 6.412282 -15.19986      21.59389 -38.11000      47.86203 -9.344540      24.19651 18.54152 8.926553 15.33615 7.047242 3.205375       11.37308 
1 1 1 -28 2  21 o 15.40121 6.560354 4.498739       17.36995 8.962496       24.10191 -0.3252064     25.05546 18.15788 7.730950 16.82877 7.503116 1.329111       10.77332 
1 1 1 -28 2  22 o 26.40113 7.039062 40.98303       18.52192 56.65250       25.80928 24.34331       26.59634 30.11692 8.425928 21.65621 8.532852 8.460711       11.99191 
1 1 1 -28 2  23 o 17.17459 6.992489 11.12031       18.47660 15.72736       25.91461 6.356947       26.35056 19.70971 8.179312 18.12477 7.901218 1.584940       11.37235 
1 1 1 -28 2  24 o 28.04284 7.460013 47.56306       20.83269 -7.896000      31.34488 91.44498       27.88196 17.27673 7.968611 39.15957 7.547749 -21.88284      10.97576 
1 1 1 -28 2  25 o 41.59186 5.445151 94.65622       21.63605 87.52682       29.75204 102.6583       31.52047 37.45122 8.331116 40.83252 8.171865 -3.381302      11.66991 
1 1 1 -28 2  26 o 19.75775 7.495410 20.87805       19.95521 15.44041       26.80088 27.64308       29.89360 19.57550 8.234458 22.27184 8.956543 -2.696339      12.16659 
1 1 1 -28 2  27 o 28.05091 7.455163 48.17845       20.81787 71.60082       29.03928 23.41393       29.85970 33.07888 8.811269 21.42093 8.824096 11.65795       12.47009 
1 1 1 -28 2  28 o 48.72408 6.113824 134.0991       28.51807 136.8313       32.87907 125.8000       57.30232 48.03653 7.215432 37.25198 12.89833 10.78455       14.77936 
1 1 1 -28 2  29 o 20.25480 8.133535 21.58775       24.61406 -0.6328265     27.86100 100.6000       52.53713 17.04515 7.728071 33.47012 12.26586 -16.42497      14.49740 
1 1 1 -28 2  30 o 19.76545 7.621685 21.53046       20.85630 6.439303       28.65740 38.52524       30.41119 18.13936 8.059691 24.06654 9.223159 -5.927183      12.24848 
1 1 1 -28 2  31 o 30.14724 8.574678 60.88474       26.50227 126.3000       53.22344 39.31766       30.56040 37.38573 12.43681 24.12936 9.246128 13.25637       15.49726 
1 1 1 -28 2  32 o 30.11053 9.536622 66.23641       31.51076 0.000000       0.000000 66.23641       31.51076 ?        ?        30.11053 9.536622 ?              ?        
1 1 1 -28 2  33 o 28.66334 7.783821 53.58895       22.39752 41.23681       31.60566 66.04988       31.74454 24.04806 9.352491 29.70190 9.589417 -5.653845      13.39500 
1 1 1 -28 2  34 o 37.14820 6.712657 83.21588       23.51024 88.68628       32.93958 77.53535       33.56628 35.00751 9.410971 31.93420 9.801523 3.073311       13.58809 
1 1 1 -28 2  35 o 44.45380 6.676295 119.0451       28.15355 115.0878       35.45394 125.8000       46.32021 40.40343 9.174867 38.03187 11.48232 2.371555       14.69768 
1 1 1 -28 2  36 f 37.87765 7.531823 91.00784       26.94131 90.99524       33.73643 91.03000       44.76151 35.11829 9.559875 31.54901 11.35638 3.569283       14.84448 
1 1 1 -28 2  37 o 23.59070 8.109699 38.05779       22.63756 41.62595       31.67169 34.33092       32.36836 23.70865 9.320642 22.32441 9.190859 1.384241       13.08993 
1 1 1 -28 2  38 o 23.53034 8.119852 37.98349       22.70156 18.03365       31.61735 59.21301       32.61563 19.60940 8.599093 27.30738 9.709480 -7.697981      12.96990 
1 1 1 -28 2  39 o 17.10955 7.342155 11.17230       22.04961 -0.4190926     30.49685 23.86866       31.91734 16.98541 7.843454 20.47705 8.811045 -3.491640      11.79637 
1 1 1 -28 2  40 o 40.57796 6.358237 98.56293       24.42530 127.0983       34.99204 71.44792       34.11003 43.10975 8.594246 29.65873 9.958011 13.45102       13.15382 
1 1 1 -28 2  41 o 16.49935 7.240946 7.990596       22.45831 4.762834       31.83104 11.19004       31.69110 17.68284 8.109810 18.46296 8.318565 -0.7801189     11.61755 
1 1 1 -28 2  42 o 20.71847 8.139159 28.16954       24.13593 34.64066       34.64798 22.06910       33.64102 22.03463 9.320663 20.11267 8.843274 1.921955       12.84828 
1 1 1 -28 2  43 o 25.44262 8.593476 48.31564       25.40123 31.96935       36.45572 63.73982       35.41253 21.40388 9.312632 26.97575 10.03725 -5.571865      13.69202 
1 1 1 -28 2  44 o 18.89283 8.275049 18.84600       29.20192 35.49039       35.79418 -14.28000      50.49669 21.65107 9.323676 18.10203 8.820908 3.549038       12.83508 
1 1 1 -28 2  45 o 15.45149 7.296216 -6.357434      28.91149 -21.74478      34.75101 28.24000       52.10837 15.20766 7.389385 20.76615 9.802612 -5.558494      12.27576 
1 1 1 -28 2  46 o 22.43831 9.459953 44.90271       35.49865 44.24000       48.76124 45.65000       51.77998 21.79000 10.00969 21.85619 10.13719 -0.6619263E-01 14.24628 
1 1 1 -28 3  1  o 38.68021 4.327813 76.66847       16.10509 42.73000       26.49624 96.55376       20.28169 27.40971 8.752371 43.21012 4.880577 -15.80042      10.02118 
1 1 1 -28 3  2  o 62.82851 3.832319 199.2773       23.45600 175.9044       27.70717 258.4000       44.06695 58.45777 4.886885 69.64193 6.541091 -11.18416      8.165017 
1 1 1 -28 3  3  o 54.93198 3.301743 151.2710       17.67118 169.0705       26.63944 137.2840       23.61470 57.35615 4.788689 51.68457 4.719866 5.671581       6.723740 
1 1 1 -28 3  4  o 45.58717 3.645709 104.9219       16.13240 110.0717       24.20757 100.8076       21.63747 45.83544 5.505731 44.03911 5.114534 1.796329       7.514754 
1 1 1 -28 3  5  o 26.95107 5.580394 38.88676       14.23630 38.24087       21.11836 39.42476       19.27413 26.11058 7.722595 26.59175 7.220488 -0.4811783     10.57232 
1 1 1 -28 3  6  o 13.85817 5.727047 4.007615       12.63196 0.1462956      18.98901 7.072726       16.91833 15.48718 6.729894 16.27762 6.666819 -0.7904453     9.473012 
1 1 1 -28 3  7  o 32.01870 4.901443 53.58722       14.87345 53.13267       22.99080 53.91439       19.50491 30.63946 7.681317 31.39090 6.559642 -0.7514362     10.10107 
1 1 1 -28 3  8  o 37.53139 4.317261 72.35271       15.57166 95.67915       23.61053 54.39569       20.71567 42.46835 5.833815 31.33916 6.936682 11.12919       9.063717 
1 1 1 -28 3  9  o 67.03819 3.309721 225.3743       21.65086 212.1393       31.03111 237.9288       30.22276 64.06591 4.987664 68.16202 4.556027 -4.096107      6.755307 
1 1 1 -28 3  10 o 55.09040 3.565856 153.0366       19.12523 144.1248       27.93395 160.9003       26.23979 52.39425 5.530147 55.81094 4.851397 -3.416691      7.356533 
1 1 1 -28 3  11 o 51.04103 3.717834 131.8419       18.44707 134.1169       26.46500 129.6921       25.72686 50.56446 5.432209 49.75469 5.367421 0.8097725      7.636628 
1 1 1 -28 3  12 o 32.45376 5.047311 55.42200       15.51265 55.66568       22.08423 55.18467       21.79504 31.43040 7.315928 31.32421 7.251688 0.1061878      10.30096 
1 1 1 -28 3  13 o 13.50298 5.809791 0.7886775      13.87514 16.17552       20.01827 -13.43851      19.24914 19.32189 7.462646 13.23959 6.154400 6.082294       9.673040 
1 1 1 -28 3  14 o 34.87881 4.931797 63.91272       16.36813 57.90819       23.35763 69.70645       22.94397 31.77551 7.610268 35.39934 6.869501 -3.623827      10.25213 
1 1 1 -28 3  15 o 40.52618 4.502329 85.19991       17.55883 77.77888       24.85496 92.59351       24.80897 37.23161 7.078820 41.18153 6.359185 -3.949913      9.515719 
1 1 1 -28 3  16 o 43.77419 4.316718 98.99178       18.25556 83.33018       25.38899 115.7566       26.26796 38.55638 6.984425 46.34947 5.925279 -7.793091      9.159209 
1 1 1 -28 3  17 o 40.81129 4.767231 87.34077       18.68544 70.93492       25.50454 106.3496       27.45336 34.95606 7.665547 43.84027 6.602261 -8.884209      10.11684 
1 1 1 -28 3  18 o 25.36000 7.168571 37.17539       18.58099 16.80846       23.49815 71.16000       30.35372 19.86471 7.957256 33.86483 9.002939 -14.00012      12.01544 
1 1 1 -28 3  19 o 34.34844 7.349921 68.50224       23.96460 -26.21000      50.80326 95.60857       27.17840 20.06099 9.531077 41.00719 7.023569 -20.94620      11.83942 
1 1 1 -28 3  20 f 17.59261 6.818374 13.83451       16.75411 32.51569       22.63908 -8.784946      24.91138 23.52914 8.109132 15.61659 7.166695 7.912552       10.82218 
1 1 1 -28 3  21 f 12.96204 5.922706 -6.983810      16.76924 -24.28846      22.68010 13.88508       24.90653 12.98662 6.224157 19.26111 8.008061 -6.274488      10.14244 
1 1 1 -28 3  22 o 16.84372 6.878322 10.16097       17.94295 9.325895       25.02929 11.04385       25.73577 18.38584 7.854630 18.85078 8.005943 -0.4649410     11.21563 
1 1 1 -28 3  23 o 21.42111 7.374338 26.36295       18.72039 36.22520       26.50919 16.55195       26.44021 24.29631 8.740272 19.93824 8.266908 4.358068       12.03055 
1 1 1 -28 3  24 o 32.82533 6.386649 61.59535       19.78174 68.57005       28.20201 54.84021       27.75456 32.72058 8.668405 28.97586 8.916203 3.744722       12.43543 
1 1 1 -28 3  25 o 44.81224 4.841083 107.4525       20.89799 126.8638       29.77186 88.59851       29.34130 47.06857 6.646812 37.83594 8.162621 9.232632       10.52656 
1 1 1 -28 3  26 o 24.86050 7.866961 38.41731       21.44707 38.40000       31.25577 38.43271       29.48324 24.51083 9.361029 24.51319 9.151115 -0.2363205E-02 13.09090 
1 1 1 -28 3  27 o 40.03234 6.927006 93.87523       26.16113 106.0154       29.97808 55.10000       53.57584 41.92869 7.583508 27.17854 11.54732 14.75015       13.81485 
1 1 1 -28 3  28 o 41.59326 6.766740 100.9686       26.60307 97.60092       30.26910 112.4000       55.76781 39.54077 8.093561 35.19853 12.67517 4.342236       15.03880 
1 1 1 -28 3  29 o 35.95850 6.270990 74.51894       21.26994 60.92747       28.26730 92.25811       32.29370 29.95598 8.953122 37.24004 8.967185 -7.284058      12.67157 
1 1 1 -28 3  30 o 20.75581 7.722829 25.37375       20.96421 -14.23446      28.86392 69.59759       30.49937 15.58794 7.339022 31.58743 9.264355 -15.99949      11.81903 
1 1 1 -28 3  31 o 16.60080 7.310136 4.704573       23.06771 24.77000       36.85089 -8.223863      29.57990 21.83452 9.431828 16.38812 7.621789 5.446394       12.12646 
1 1 1 -28 3  32 o 30.77823 9.477442 68.83749       31.35192 0.000000       0.000000 68.83749       31.35192 ?        ?        30.77823 9.477442 ?              ?        
1 1 1 -28 3  33 o 14.49134 6.853972 -14.55543      25.70690 -32.56000      47.96397 -7.299070      30.44969 17.61470 8.586412 16.44358 7.676059 1.171124       11.51731 
1 1 1 -28 3  34 o 13.59550 6.411029 -13.10383      22.18243 -43.42034      31.29924 17.49113       31.44265 13.52656 6.663103 19.74678 8.619227 -6.220223      10.89440 
1 1 1 -28 3  35 o 24.49593 8.711041 42.63364       26.25354 36.69262       32.99238 52.89000       43.34905 22.87485 9.332383 25.19670 10.52720 -2.321854      14.06823 
1 1 1 -28 3  36 o 26.16192 8.688363 48.67609       25.97784 39.39491       32.78276 64.34000       42.58863 23.41163 9.391656 27.11886 10.76218 -3.707233      14.28382 
1 1 1 -28 3  37 o 23.53965 8.143222 38.00469       22.83795 30.95975       31.62194 45.68578       33.01881 21.70379 9.023437 24.41061 9.540422 -2.706818      13.13172 
1 1 1 -28 3  38 o 21.62403 8.017632 30.97304       22.55818 7.173126       31.09564 57.41259       32.77470 18.03415 8.171650 26.84265 9.710226 -8.808496      12.69111 
1 1 1 -28 3  39 o 13.15438 6.247833 -14.92364      21.79821 -50.27491      30.14913 23.79762       31.55346 12.67892 6.297777 20.43497 8.776352 -7.756052      10.80215 
1 1 1 -28 3  40 o 25.51318 8.196110 45.47149       23.20933 28.61034       31.61893 65.16996       34.17589 21.17609 8.927940 28.18082 9.946747 -7.004732      13.36585 
1 1 1 -28 3  41 o 15.21785 6.908089 0.2387106      22.34592 -16.34841      31.24830 17.59847       31.96780 15.37288 7.351148 19.35366 8.560306 -3.980787      11.28354 
1 1 1 -28 3  42 o 13.10913 6.304591 -20.15436      23.72913 -32.49650      33.55775 -7.811782      33.55835 14.57443 7.121295 16.60873 7.848109 -2.034292      10.59744 
1 1 1 -28 3  43 o 12.84746 6.237578 -24.91466      24.63041 7.540882       34.42746 -58.94443      35.25251 18.15648 8.366059 13.25567 6.620192 4.900806       10.66855 
1 1 1 -28 3  44 o 24.31112 9.121348 47.82516       29.36743 77.67946       35.92408 -12.32000      50.98970 29.42007 10.21130 18.24385 8.884169 11.17623       13.53511 
1 1 1 -28 3  45 o 16.32148 7.375964 6.623670       25.13514 -0.4861274     35.18719 14.03143       35.91695 17.02121 8.041000 18.57317 8.553382 -1.551962      11.73959 
1 1 1 -28 3  46 o 29.30476 10.30771 82.99831       36.67773 107.6000       51.57232 57.82000       52.17319 28.88490 11.71104 22.87629 10.45055 6.008612       15.69594 
1 1 1 -28 4  1  o 36.04450 4.215714 66.56582       14.59299 65.98369       22.09766 67.01604       19.43332 34.75354 6.739200 35.49707 5.792629 -0.7435303     8.886584 
1 1 1 -28 4  2  o 43.55067 3.999317 96.42805       16.85833 68.25000       27.98377 112.4804       21.12123 34.46724 8.377508 46.75400 4.677994 -12.28677      9.595117 
1 1 1 -28 4  3  o 49.47561 3.513153 123.2488       16.90286 149.6441       26.32246 104.7273       22.04963 53.76864 5.060911 44.88714 5.109329 8.881500       7.191527 
1 1 1 -28 4  4  o 85.28310 3.090334 363.0711       25.75467 330.0990       36.85551 394.5383       36.00460 80.27847 4.710967 88.19685 4.182518 -7.918373      6.299736 
1 1 1 -28 4  5  o 63.11418 3.210540 199.4048       19.76888 178.2175       28.49515 219.0651       27.44904 58.72672 5.004756 65.59034 4.299140 -6.863625      6.597741 
1 1 1 -28 4  6  o 29.81199 5.089245 46.81481       14.31817 40.29176       22.08195 51.54687       18.80776 26.68634 7.897820 30.71930 6.460101 -4.032955      10.20336 
1 1 1 -28 4  7  o 26.91892 5.590343 38.88625       14.24779 16.09591       21.67390 56.22940       18.90713 19.77976 7.729855 32.21879 6.220560 -12.43903      9.921996 
1 1 1 -28 4  8  o 41.23322 3.975577 86.60022       15.84681 111.8678       24.50525 68.43914       20.77534 46.12149 5.538812 35.63361 6.180315 10.48789       8.299080 
1 1 1 -28 4  9  o 64.30608 3.337992 207.5661       20.93893 224.3416       31.22071 193.8515       28.22901 65.95164 4.870641 61.37051 4.735873 4.581139       6.793500 
1 1 1 -28 4  10 o 54.49007 3.661812 150.0162       19.41739 123.4215       27.42643 176.7428       27.49437 48.18380 5.940824 58.49907 4.845045 -10.31527      7.666019 
1 1 1 -28 4  11 o 15.97066 6.206347 9.735390       13.90984 12.53897       20.14931 7.182827       19.22612 18.49404 7.381828 16.98228 7.046101 1.511765       10.20485 
1 1 1 -28 4  12 o 16.57683 6.299502 11.55054       14.11016 15.86673       20.51846 7.678083       19.43515 19.37197 7.535120 17.13239 7.094173 2.239580       10.34917 
1 1 1 -28 4  13 o 50.23742 3.767354 128.1573       18.39057 106.9692       25.98329 149.4268       26.03317 44.58167 6.115295 53.53888 5.026445 -8.957211      7.915933 
1 1 1 -28 4  14 o 26.77889 6.000320 39.35722       15.33734 12.80789       21.49840 66.87600       21.88739 18.76306 7.577796 34.73267 6.680520 -15.96961      10.10209 
1 1 1 -28 4  15 o 18.00135 6.596562 15.49666       15.19478 20.53941       22.06864 10.95126       20.95213 20.68706 7.874252 18.16385 7.426905 2.523201       10.82417 
1 1 1 -28 4  16 o 27.75133 6.313935 42.90138       16.76337 38.37815       23.16363 47.87539       24.29046 25.61184 8.184013 28.36833 8.253085 -2.756496      11.62289 
1 1 1 -28 4  17 o 56.10374 4.227930 162.2561       23.04721 142.0716       29.47752 194.0000       36.96675 51.20451 5.994689 59.47154 6.453657 -8.267033      8.808290 
1 1 1 -28 4  18 o 47.69956 5.686782 122.6893       26.02909 83.08000       53.09481 135.2204       29.86396 33.39494 12.31511 49.60883 6.291391 -16.21389      13.82909 
1 1 1 -28 4  19 o 51.14339 4.103332 135.1308       20.36929 109.9546       27.68027 164.8664       30.08247 44.34365 6.576202 55.28469 5.637897 -10.94103      8.662119 
1 1 1 -28 4  20 f 28.65845 6.476079 46.85797       17.73724 42.45642       24.15087 52.01243       26.13495 26.27742 8.352122 28.81643 8.607928 -2.539015      11.99393 
1 1 1 -28 4  21 o 16.87026 6.740987 11.34695       16.82097 26.05706       22.77260 -6.315753      24.95360 21.67829 8.052285 15.89797 7.249147 5.780317       10.83464 
1 1 1 -28 4  22 o 50.09220 4.406837 131.5108       21.38740 123.1069       29.75427 140.4946       30.76369 46.51598 6.730307 50.01508 6.432708 -3.499100      9.310036 
1 1 1 -28 4  23 o 35.38855 6.016383 70.08399       20.09509 63.89426       28.26274 76.41229       28.57735 31.49713 8.819232 34.92322 8.451961 -3.426086      12.21534 
1 1 1 -28 4  24 o 12.42220 5.825934 -12.98028      17.88415 9.982822       24.79876 -37.86572      25.81590 18.28851 7.815852 12.72943 6.225405 5.559080       9.992157 
1 1 1 -28 4  25 o 36.21927 5.940800 73.54445       20.33202 45.15562       28.12805 104.6080       29.42330 26.25748 9.039311 41.91605 7.444108 -15.65857      11.70999 
1 1 1 -28 4  26 o 22.04851 8.255151 28.51740       24.02827 28.58616       27.42180 28.29000       49.86543 22.27015 8.697079 23.96898 10.64180 -1.698830      13.74362 
1 1 1 -28 4  27 o 32.60283 8.605860 68.98110       27.86105 82.25000       33.21453 37.48000       51.17685 34.70537 9.501303 24.94637 10.93982 9.759003       14.48981 
1 1 1 -28 4  28 o 37.11673 7.374497 83.30287       25.84772 79.66870       29.31947 95.98000       54.76007 34.99148 8.617993 32.54038 12.39953 2.451103       15.10027 
1 1 1 -28 4  29 o 13.45661 6.233584 -9.021845      19.48786 7.476400       26.43249 -28.66953      28.84529 17.90903 7.857692 14.25261 6.878747 3.656421       10.44320 
1 1 1 -28 4  30 o 19.20611 7.707738 18.79121       22.09026 -9.176000      32.37307 43.16003       30.21876 16.93267 7.907803 25.00552 9.278125 -8.072849      12.19086 
1 1 1 -28 4  31 o 14.76964 6.781283 -5.762572      22.34076 3.855000       33.84026 -13.19264      29.74387 18.64782 8.479237 15.86618 7.463813 2.781633       11.29628 
1 1 1 -28 4  32 o 19.71520 8.189177 19.79514       26.01117 -43.01000      48.60467 45.00094       30.79148 17.24794 8.457441 25.05888 9.352514 -7.810936      12.60943 
1 1 1 -28 4  33 o 21.47952 8.494953 29.14419       26.44979 78.73000       50.47552 10.37454       31.05490 28.67424 11.60026 18.70764 8.346211 9.966599       14.29074 
1 1 1 -28 4  34 o 22.16356 8.606202 32.64171       26.73064 24.66000       49.59048 35.91058       31.73574 22.03910 10.11316 22.81729 9.209858 -0.7781887     13.67836 
1 1 1 -28 4  35 o 19.20332 7.777079 20.33784       22.71457 39.10500       32.05532 1.410761       32.19161 23.33763 9.312199 17.63767 8.113506 5.699966       12.35095 
1 1 1 -28 4  36 o 17.41252 7.719419 7.810006       26.14212 2.511605       31.88784 18.67000       45.65280 17.72563 8.124820 21.12453 9.697129 -3.398901      12.65097 
1 1 1 -28 4  37 o 16.51682 7.493087 2.197322       26.24086 -3.047147      31.59469 13.86000       47.11535 16.92934 7.874713 20.60046 9.593784 -3.671124      12.41176 
1 1 1 -28 4  38 o 14.40775 6.691730 -6.843486      22.68252 -21.58848      30.67762 10.93874       33.68934 14.89218 7.163748 18.85622 8.528679 -3.964035      11.13812 
1 1 1 -28 4  39 o 28.96384 7.977976 56.88685       23.33662 49.79548       32.10598 64.83004       33.97960 25.21420 9.520496 28.19161 9.920913 -2.977409      13.75007 
1 1 1 -28 4  40 o 35.40373 7.173171 79.16282       24.00529 69.60399       33.17575 89.66731       34.77811 29.42841 9.819744 33.82341 9.885357 -4.394993      13.93369 
1 1 1 -28 4  41 o 15.83958 7.104822 3.608959       22.83078 11.48490       32.01151 -4.544679      32.57097 18.51903 8.350677 16.75959 7.860816 1.759436       11.46849 
1 1 1 -28 4  42 o 11.92262 5.862567 -34.14583      23.87760 -19.20868      33.52118 -49.53122      34.02042 15.57552 7.491419 13.57965 6.735669 1.995872       10.07425 
1 1 1 -28 4  43 o 25.57229 9.220973 52.40719       29.52579 81.04958       36.51134 -1.721000      50.19205 30.33241 10.30237 19.03184 9.157165 11.30058       13.78378 
1 1 1 -28 4  44 o 12.63683 6.154376 -25.82485      24.48675 -53.07352      34.48883 1.872913       34.77188 13.28620 6.621674 17.38635 8.144291 -4.100152      10.49648 
1 1 1 -28 4  45 o 13.83445 6.717355 -22.60275      28.58156 -19.09000      47.27460 -24.62646      35.88214 17.11887 8.383087 15.14833 7.393480 1.970541       11.17764 
1 1 1 -28 5  1  o 38.33758 4.150045 75.15517       15.32540 46.66053       22.98678 97.95557       20.56212 28.63213 7.930122 43.47145 4.918649 -14.83932      9.331664 
1 1 1 -28 5  2  o 39.22875 4.433290 79.11391       16.72511 95.92006       23.47215 61.78000       23.83784 42.57264 5.781995 33.17382 7.515868 9.398819       9.482602 
1 1 1 -28 5  3  o 44.31169 3.740322 99.41046       16.07173 68.83042       23.61291 125.8043       21.93722 35.29483 7.081401 49.49225 4.580281 -14.19743      8.433577 
1 1 1 -28 5  4  o 63.18148 3.237385 199.9570       19.95446 184.9878       29.87110 212.0201       26.81531 59.72076 5.160569 64.52544 4.269677 -4.804680      6.697882 
1 1 1 -28 5  5  o 36.98100 4.330128 70.28817       15.37776 68.90172       24.01422 71.25188       20.02118 35.22335 7.208239 36.58610 5.782655 -1.362747      9.241093 
1 1 1 -28 5  6  o 29.07034 5.320279 44.87096       14.58107 39.77479       22.54664 48.53456       19.11673 26.48606 8.014087 29.64661 6.740717 -3.160553      10.47200 
1 1 1 -28 5  7  o 31.46609 4.949954 51.91077       14.74281 69.34222       23.25649 40.19957       19.06243 35.45968 6.949032 26.80607 7.138310 8.653612       9.962154 
1 1 1 -28 5  8  o 30.14088 5.303381 48.18716       15.07535 58.38195       23.30043 40.84683       19.77118 32.14854 7.536388 26.94835 7.311187 5.200199       10.50003 
1 1 1 -28 5  9  o 55.07920 3.544889 152.9695       19.01010 151.7180       28.13748 154.0205       25.78497 53.82372 5.414267 54.56532 4.879173 -0.7415962     7.288389 
1 1 1 -28 5  10 o 71.22264 3.252124 254.3422       22.61226 271.5175       33.90639 240.5845       30.34611 72.58985 4.798913 68.48638 4.552660 4.103470       6.614853 
1 1 1 -28 5  11 o 70.41935 3.255921 248.7868       22.38180 224.0180       31.78019 273.1620       31.52662 65.74895 4.975036 73.04684 4.430129 -7.297882      6.661609 
1 1 1 -28 5  12 o 28.00436 5.718271 42.43551       15.14392 39.79341       21.70954 44.93974       21.13548 26.34718 7.839350 28.04128 7.538519 -1.694099      10.87588 
1 1 1 -28 5  13 o 19.61591 6.443431 20.42702       14.30027 17.67212       20.63807 22.97124       19.83320 19.76952 7.592486 21.08525 7.563114 -1.315731      10.71665 
1 1 1 -28 5  14 o 11.80775 5.402336 -7.453930      14.01199 -12.14115      20.17224 -3.083843      19.47788 13.73417 6.355137 14.90127 6.631374 -1.167106      9.184927 
1 1 1 -28 5  15 o 19.81603 6.930239 20.48888       16.56392 17.51754       21.59007 24.74000       25.82435 19.81319 7.722959 22.20894 8.502215 -2.395752      11.48616 
1 1 1 -28 5  16 o 75.22775 4.919472 295.6503       36.02579 0.000000       0.000000 295.6503       36.02579 ?        ?        75.22775 4.919472 ?              ?        
1 1 1 -28 5  17 o 28.50786 6.427273 45.69081       17.50506 61.69000       24.76205 29.70753       24.74973 32.27778 7.902136 23.11491 8.427004 9.162874       11.55241 
1 1 1 -28 5  18 o 15.67642 6.468603 7.033754       16.08195 6.639717       22.01139 7.484936       23.55347 17.33821 7.385220 17.90609 7.633719 -0.5678787     10.62145 
1 1 1 -28 5  19 o 12.35694 5.678252 -8.121110      15.70895 -19.91460      21.28854 5.977056       23.27587 12.99714 6.173500 17.47188 7.521207 -4.474741      9.730398 
1 1 1 -28 5  20 o 19.14458 6.943147 19.22497       16.77073 -0.2759814     22.66191 42.83527       24.93559 16.14813 7.171506 26.29048 8.499928 -10.14235      11.12112 
1 1 1 -28 5  21 o 13.53413 6.081636 -3.716218      16.81181 -16.29734      22.86301 11.09503       24.80674 13.92838 6.549589 18.67102 7.891711 -4.742640      10.25555 
1 1 1 -28 5  22 o 32.77873 6.276399 60.81611       19.40454 69.57733       26.51015 50.70453       28.47995 33.61425 8.143877 27.94605 9.087774 5.668203       12.20288 
1 1 1 -28 5  23 o 17.97583 7.060093 14.78551       18.15681 23.29461       24.47192 4.365223       27.08106 21.01112 8.212906 17.90703 7.901515 3.104088       11.39674 
1 1 1 -28 5  24 o 23.02291 7.392974 31.71764       18.88504 20.22736       25.34150 46.06887       28.32120 20.38341 8.229033 26.53563 9.072402 -6.152222      12.24849 
1 1 1 -28 5  25 o 31.30353 8.038792 61.28958       24.75793 43.84906       28.56161 114.0000       49.65367 25.85262 9.095831 37.61596 11.97813 -11.76334      15.04027 
1 1 1 -28 5  26 o 15.78017 7.091979 -1.468883      22.87135 2.431504       26.02056 -14.72000      47.96109 17.20839 7.660955 19.66172 9.317853 -2.453333      12.06286 
1 1 1 -28 5  27 o 31.14510 7.055523 58.06462       21.00895 58.95885       28.37669 56.97988       31.25350 29.62837 8.996130 28.61968 9.530565 1.008688       13.10580 
1 1 1 -28 5  28 o 24.77488 7.940311 39.01773       21.79237 19.10000       31.70067 56.86421       30.00715 20.66833 8.834956 28.57367 9.330744 -7.905338      12.84987 
1 1 1 -28 5  29 o 20.21395 8.411486 19.89325       27.51325 58.31000       32.90039 -69.46000      50.17599 28.36704 9.775681 16.43090 8.155127 11.93614       12.73067 
1 1 1 -28 5  30 o 24.40129 8.263990 39.00362       23.49132 21.19000       34.58529 54.26096       32.00773 21.09658 9.125217 27.33466 9.627964 -6.238075      13.26527 
1 1 1 -28 5  31 o 27.19472 7.758835 47.55624       21.66589 46.53687       29.37138 48.77298       32.08904 25.70594 9.205770 25.96911 9.574420 -0.2631721     13.28216 
1 1 1 -28 5  32 o 15.76593 6.940282 4.000474       20.77711 -9.779057      28.67102 19.23970       30.15139 15.83468 7.410311 20.04382 8.593231 -4.209132      11.34708 
1 1 1 -28 5  33 o 18.05626 7.932745 10.42915       27.02057 20.53000       50.88595 6.462671       31.88755 21.83208 10.09921 18.30256 8.285979 3.529518       13.06337 
1 1 1 -28 5  34 o 16.42537 7.485683 0.3129272      26.56391 -32.87000      48.51672 14.51922       31.74493 17.54378 8.570113 19.27399 8.527483 -1.730209      12.08986 
1 1 1 -28 5  35 o 16.58978 7.221696 7.924406       21.94621 2.191629       29.97782 14.54525       32.21619 17.33101 7.918958 19.30589 8.563540 -1.974874      11.66380 
1 1 1 -28 5  36 o 17.85314 8.248476 1.136272       33.79209 23.29000       48.91450 -19.09000      46.73821 21.72916 9.997695 18.10342 8.741901 3.625742       13.28061 
1 1 1 -28 5  37 o 22.70689 8.634128 35.90276       26.51638 26.90609       31.56183 57.49000       48.88999 21.00237 8.890502 25.30559 10.89701 -4.303228      14.06364 
1 1 1 -28 5  38 o 17.17648 7.632635 7.723017       25.70746 22.65907       30.89695 -25.88000      46.34330 20.19344 8.678771 17.44944 8.491098 2.743994       12.14166 
1 1 1 -28 5  39 o 17.77041 7.542653 14.10189       22.82039 17.52550       31.04487 10.07739       33.65923 19.39181 8.511763 18.70422 8.485817 0.6875896      12.01912 
1 1 1 -28 5  40 o 20.32733 7.922654 26.16760       22.71941 26.33998       31.57780 25.98261       32.71241 20.75021 8.842346 20.75595 8.925448 -0.5744934E-02 12.56386 
1 1 1 -28 5  41 f 22.54757 8.301895 35.81851       24.11259 29.05011       34.00156 42.66616       34.20001 21.13491 9.094149 23.36961 9.513873 -2.234697      13.16121 
1 1 1 -28 5  42 o 15.57117 7.281487 -6.142994      27.59610 0.3299441      33.91745 -18.82000      47.46579 17.44878 8.130679 17.82012 8.653526 -0.3713341     11.87398 
1 1 1 -28 5  43 o 27.20050 8.646736 55.52214       25.88395 49.24149       36.24215 62.06107       36.97987 23.97685 9.781499 26.19385 10.13587 -2.217003      14.08593 
1 1 1 -28 5  44 o 13.88418 6.708502 -20.63304      27.62549 -26.22000      46.02313 -17.48624      34.54004 16.75500 8.218609 15.58446 7.522939 1.170546       11.14182 
1 1 1 -28 5  45 o 27.48624 8.890335 60.49670       27.27701 62.48885       38.28128 58.44210       38.87664 25.20131 10.13518 24.43516 10.06751 0.7661514      14.28554 
1 1 1 -28 6  1  o 17.07579 6.415943 12.58290       14.54130 29.16072       21.50242 -1.388000      19.73949 23.26520 7.906128 15.44909 6.784005 7.816111       10.41775 
1 1 1 -28 6  2  o 20.50226 6.894009 21.93964       16.34820 4.346000       24.99119 35.10000       21.61439 18.19335 7.812062 25.05753 7.893471 -6.864178      11.10564 
1 1 1 -28 6  3  o 42.72189 3.887080 92.75035       16.07694 82.66637       24.75847 100.1024       21.14028 38.92652 6.741975 43.87914 5.011836 -4.952614      8.400757 
1 1 1 -28 6  4  o 33.37067 5.693242 59.38506       17.92978 37.00000       27.73853 75.45000       23.49871 25.79527 8.971707 37.16716 6.705874 -11.37189      11.20091 
1 1 1 -28 6  5  o 58.91661 3.339510 174.2851       19.17983 157.0742       28.88039 187.8655       25.65409 54.78158 5.458521 60.65244 4.350065 -5.870861      6.979865 
1 1 1 -28 6  6  o 45.21516 3.773487 103.6485       16.54851 117.8602       25.90966 93.85654       21.50678 47.22773 5.721291 42.30418 5.310526 4.923550       7.806078 
1 1 1 -28 6  7  o 43.16220 4.018844 94.97836       16.78386 115.6190       25.80565 79.84586       22.09575 46.73066 5.763660 38.58538 6.048985 8.145271       8.355238 
1 1 1 -28 6  8  o 41.70105 4.103472 88.88190       16.53287 61.83886       24.36110 111.9721       22.51041 32.99498 7.686369 46.37616 5.039816 -13.38119      9.191301 
1 1 1 -28 6  9  o 20.42086 6.364459 22.38990       14.08980 -10.54109      21.30931 47.97070       18.78123 14.49607 6.643493 29.43916 6.672370 -14.94310      9.415759 
1 1 1 -28 6  10 o 16.06057 6.146489 10.47778       13.49359 -6.262739      20.34021 23.63600       18.03307 14.77305 6.659465 21.16818 7.239325 -6.395135      9.836478 
1 1 1 -28 6  11 o 23.90614 6.076053 31.39038       14.24579 38.79001       21.36129 25.46331       19.11802 26.04799 7.782479 21.80771 7.454027 4.240286       10.77634 
1 1 1 -28 6  12 o 37.06731 4.690782 71.62987       16.63885 59.12383       24.95218 81.64349       22.32771 31.87658 8.008350 38.86100 6.068046 -6.984423      10.04763 
1 1 1 -28 6  13 o 19.05643 6.582745 18.74908       14.92161 14.49975       21.32893 22.82253       20.88282 19.08945 7.602990 21.13326 7.735070 -2.043810      10.84605 
1 1 1 -28 6  14 o 50.43571 4.258174 130.9314       20.82549 112.9851       26.83625 158.1000       33.01927 45.63354 6.165617 53.89487 6.382885 -8.261330      8.874461 
1 1 1 -28 6  15 o 25.08461 7.598179 36.39926       20.25956 39.80000       44.30462 35.50014       22.78087 26.75306 10.85168 24.74540 8.132837 2.007660       13.56105 
1 1 1 -28 6  16 o 19.00060 6.784258 18.51129       15.93953 3.311670       22.01710 35.25171       23.10611 16.78299 7.270054 24.57907 8.194933 -7.796083      10.95494 
1 1 1 -28 6  17 o 32.50882 5.725426 57.71974       17.55338 63.35362       24.53825 51.81534       25.12045 32.75467 7.771350 29.20033 8.362112 3.554337       11.41573 
1 1 1 -28 6  18 o 35.87907 5.286451 69.29571       18.00994 73.14186       24.98733 65.13741       25.98156 35.39487 7.448479 32.83435 8.127959 2.560520       11.02468 
1 1 1 -28 6  19 o 10.28689 4.995286 -23.54392      15.81513 -34.37061      22.11968 -12.22127      22.62066 11.83412 5.782188 14.39295 6.684082 -2.558827      8.838023 
1 1 1 -28 6  20 o 49.88102 4.300102 129.8283       20.79045 128.1446       29.31326 131.5327       29.49182 47.81932 6.425026 48.50878 6.364572 -0.6894646     9.043713 
1 1 1 -28 6  21 o 12.94569 5.948776 -8.101223      17.24122 -15.56695      23.34064 0.8645462      25.57824 14.16129 6.646024 17.08642 7.601785 -2.925132      10.09736 
1 1 1 -28 6  22 o 17.27075 6.954482 12.03451       18.04844 -8.224489      24.38138 36.59410       26.84477 15.38905 7.072490 24.36050 8.791269 -8.971453      11.28302 
1 1 1 -28 6  23 o 23.57325 7.417503 33.40455       19.09149 16.20070       25.78608 54.27594       28.40195 19.65107 8.157338 28.69519 9.049578 -9.044117      12.18347 
1 1 1 -28 6  24 f 37.26278 7.161778 81.96629       25.17294 92.87727       28.76494 46.28000       52.02141 39.12836 7.784423 26.33809 11.28948 12.79028       13.71312 
1 1 1 -28 6  25 o 18.19729 7.579781 12.62314       22.37324 16.10296       25.55297 1.193000       46.31146 19.47395 8.105148 20.79397 9.624462 -1.320019      12.58267 
1 1 1 -28 6  26 o 28.64375 7.182855 49.54635       20.09997 57.09700       26.69579 39.66309       30.54222 29.51984 8.670028 24.70229 9.294798 4.817545       12.71073 
1 1 1 -28 6  27 o 27.23158 7.396385 45.62639       20.22114 25.38590       27.03842 71.31443       30.46046 21.40725 8.548971 32.44191 9.181114 -11.03466      12.54503 
1 1 1 -28 6  28 o 17.54178 7.415096 10.73666       21.90418 1.819000       32.50304 18.15640       29.64784 18.32230 8.322899 20.21121 8.588670 -1.888912      11.95976 
1 1 1 -28 6  29 o 32.18059 7.739010 65.13766       24.07727 22.87000       35.82035 99.97389       32.51931 21.55370 9.304720 38.98274 8.738907 -17.42904      12.76504 
1 1 1 -28 6  30 o 17.67914 7.658792 9.276894       24.43811 15.30403       28.48627 -7.524000      47.56049 19.40852 8.337257 19.66460 9.307286 -0.2560768     12.49542 
1 1 1 -28 6  31 o 16.03475 7.046451 4.421737       21.33266 -12.81558      28.39044 26.77464       32.32989 15.49363 7.289637 21.59779 9.062025 -6.104159      11.63009 
1 1 1 -28 6  32 o 12.71353 6.068346 -17.97634      21.08765 -20.13758      28.29312 -15.27526      31.62998 14.63846 6.998590 15.91387 7.549086 -1.275410      10.29412 
1 1 1 -28 6  33 o 25.27597 8.080125 43.09095       22.57744 20.30309       30.62249 70.23115       33.41913 20.09678 8.638724 30.13989 9.847246 -10.04311      13.09946 
1 1 1 -28 6  34 o 12.69300 6.224369 -35.39937      26.34019 -47.90000      49.75058 -30.53049      31.04894 16.86819 8.326465 14.33289 6.968999 2.535300       10.85804 
1 1 1 -28 6  35 o 19.09587 8.153154 17.32153       26.93951 29.95000       49.62845 12.04597       32.07671 22.46596 10.23597 18.95909 8.468763 3.506872       13.28514 
1 1 1 -28 6  36 o 15.84756 7.050564 3.865331       22.00286 -14.09702      29.85474 25.22210       32.55363 15.43657 7.326012 20.81784 8.927108 -5.381269      11.54832 
1 1 1 -28 6  37 o 15.06129 6.993453 -6.206724      24.74940 -19.64281      28.89301 30.82000       47.96384 14.66328 7.027043 22.26719 10.11312 -7.603912      12.31481 
1 1 1 -28 6  38 o 16.15843 7.329195 1.721648       25.09195 -11.35398      29.51459 35.81000       47.65499 15.57178 7.358711 22.65771 10.20534 -7.085936      12.58172 
1 1 1 -28 6  39 o 15.49738 6.994235 1.364131       22.51320 5.128265       30.17554 -3.361507      33.81059 17.55941 7.993145 17.20969 8.051628 0.3497200      11.34544 
1 1 1 -28 6  40 o 14.46354 6.699188 -5.469111      22.49721 -44.96235      31.02025 38.35264       32.67599 13.16796 6.513682 22.73707 9.283226 -9.569107      11.34047 
1 1 1 -28 6  41 f 19.46208 8.303997 21.04524       27.91250 34.26524       34.35726 -4.620000      47.87132 21.92145 9.277541 18.83614 9.031646 3.085306       12.94772 
1 1 1 -28 6  42 o 19.85997 8.069829 24.77039       24.55107 63.57610       34.96466 -12.96980      34.48130 27.13314 9.995845 16.20795 7.742722 10.92520       12.64384 
1 1 1 -28 6  43 o 27.15365 9.133970 58.59202       28.69746 58.96000       48.15710 58.38939       35.73563 24.35027 10.64694 25.60949 9.948976 -1.259218      14.57187 
1 1 1 -28 6  44 o 16.60075 7.837783 -3.020835      33.34089 49.77000       46.10699 -60.88000      48.26959 22.93494 10.20485 15.30884 7.660736 7.626101       12.76033 
1 1 1 -28 6  45 o 14.72341 6.903234 -5.345645      25.07948 9.264426       35.75604 -19.49382      35.18629 18.00251 8.375041 15.39545 7.470150 2.607066       11.22250 
1 1 1 -28 7  1  o 40.39109 4.064017 83.31275       15.84930 79.65619       25.08194 85.74334       20.44940 38.01966 6.997566 40.41668 5.296408 -2.397022      8.775982 
1 1 1 -28 7  2  f 38.00331 4.188915 74.03029       15.32403 84.67902       24.63433 67.30868       19.57169 39.45127 6.613124 35.48452 5.837685 3.966747       8.821109 
1 1 1 -28 7  3  o 33.69103 4.632126 58.94825       14.87177 45.36983       23.59696 67.89555       19.15479 28.10843 8.121757 35.72266 5.667051 -7.614233      9.903454 
1 1 1 -28 7  4  f 11.68335 5.287194 -5.697902      12.96775 1.403354       21.39039 -9.824444      16.30588 16.51762 7.160432 12.54882 5.773260 3.968798       9.197951 
1 1 1 -28 7  5  o 34.08034 4.638309 60.33403       15.07165 81.37836       24.33495 47.23853       19.19659 38.59796 6.683011 29.15334 6.844892 9.444614       9.566357 
1 1 1 -28 7  6  o 51.14994 3.571742 132.0838       17.77026 142.9988       27.22776 123.9847       23.45422 52.23901 5.402773 48.85795 4.973593 3.381062       7.343472 
1 1 1 -28 7  7  o 81.97478 3.692997 339.0630       29.55621 271.6000       56.16813 364.8965       34.75750 69.10435 8.481480 84.67108 4.206970 -15.56673      9.467528 
1 1 1 -28 7  8  o 83.95500 3.137354 352.7696       25.73663 342.2644       37.57827 362.0505       35.32071 81.55869 4.727437 84.24476 4.297517 -2.686073      6.388843 
1 1 1 -28 7  9  o 39.11017 4.301228 78.72849       16.19453 61.44356       23.88525 93.43507       22.03189 32.86690 7.579273 42.03659 5.485200 -9.169689      9.355897 
1 1 1 -28 7  10 o 36.65247 4.517935 69.67490       15.86609 53.26555       23.61544 83.17610       21.42084 30.35479 7.879918 39.47226 5.709883 -9.117466      9.731180 
1 1 1 -28 7  11 o 23.15389 6.214221 29.61669       14.37661 32.09056       22.00464 27.77422       18.99002 23.92306 7.997659 22.46808 7.427285 1.454975       10.91454 
1 1 1 -28 7  12 o 21.81422 6.430409 26.30053       14.66251 33.30123       21.42546 20.13372       20.10895 24.21105 7.882949 20.27868 7.560079 3.932365       10.92226 
1 1 1 -28 7  13 o 44.90793 4.592736 104.7984       19.90435 82.49378       26.35724 134.4000       30.36410 38.14164 7.326042 49.64326 6.397322 -11.50161      9.726079 
1 1 1 -28 7  14 o 22.69852 7.573235 28.86664       19.73265 104.9000       44.77572 10.54049       21.98245 39.47845 11.11718 18.26895 7.552906 21.20950       13.44017 
1 1 1 -28 7  15 o 17.81493 6.653028 14.94259       15.58642 -1.006550      21.87963 31.37570       22.20912 15.98600 7.075810 23.46595 8.033703 -7.479956      10.70549 
1 1 1 -28 7  16 o 14.27726 6.092653 2.694579       15.02971 7.087760       21.31215 -1.651974      21.19875 17.26874 7.307632 15.61158 6.934509 1.657158       10.07417 
1 1 1 -28 7  17 o 14.62732 6.204963 3.699778       15.42856 -6.303344      21.42498 14.47474       22.23619 14.89166 6.761680 18.99741 7.694365 -4.105756      10.24322 
1 1 1 -28 7  18 o 40.85128 4.809644 88.42516       18.86389 60.83497       26.63430 116.1954       26.72105 31.33244 8.479527 45.89901 6.098391 -14.56657      10.44475 
1 1 1 -28 7  19 o 26.72615 6.883015 41.66390       18.11505 23.70550       25.63962 59.56339       25.59754 21.42888 8.397634 31.04582 8.273980 -9.616940      11.78894 
1 1 1 -28 7  20 o 23.82124 7.130692 33.38982       17.92013 50.40896       24.83037 14.88924       25.88850 28.41637 8.365833 19.59864 8.157709 8.817730       11.68484 
1 1 1 -28 7  21 o 32.09470 6.468835 58.86813       19.61919 61.70140       27.75406 56.03825       27.73740 31.05241 8.755458 29.47045 8.882755 1.581959       12.47243 
1 1 1 -28 7  22 o 13.88883 6.263297 -3.930096      18.01219 -5.121186      24.69714 -2.576601      26.32708 15.87923 7.229457 16.68771 7.544447 -0.8084841     10.44910 
1 1 1 -28 7  23 o 24.75903 8.229732 38.25150       23.30643 43.75315       26.32157 18.28000       50.15000 26.06989 8.747513 23.09957 10.43082 2.970318       13.61327 
1 1 1 -28 7  24 o 23.77859 8.261773 35.04451       23.51928 43.96750       26.71242 4.272000       49.60659 26.01050 8.812344 21.57634 9.977581 4.434155       13.31201 
1 1 1 -28 7  25 o 38.34155 5.778595 82.02481       21.01383 74.89291       28.21325 90.91096       31.49253 34.23411 8.467134 37.57932 8.728921 -3.345203      12.16086 
1 1 1 -28 7  26 o 30.79447 6.782320 56.02065       19.89002 32.15618       26.43291 87.17057       30.19934 22.91063 8.641207 36.87486 8.535671 -13.96423      12.14612 
1 1 1 -28 7  27 o 25.69180 7.764314 41.62731       21.17220 32.20000       30.34878 50.56561       29.55118 22.93041 9.089786 27.08577 9.267134 -4.155359      12.98091 
1 1 1 -28 7  28 o 35.15237 6.865685 73.44819       22.77582 56.07000       32.79693 89.63550       31.65324 27.87717 9.751601 36.71620 8.901011 -8.839029      13.20310 
1 1 1 -28 7  29 o 13.86404 6.392488 -7.365297      20.14826 16.74195       26.91206 -38.11047      30.39216 19.44538 8.219427 13.85256 6.770404 5.592815       10.64882 
1 1 1 -28 7  30 o 18.85251 7.633871 17.58612       21.88202 56.81602       29.98347 -27.11835      32.00728 28.20007 9.333137 15.11222 7.281695 13.08784       11.83767 
1 1 1 -28 7  31 o 12.45551 5.993670 -22.07076      21.51773 -5.375510      28.40117 -44.56727      32.96836 16.30163 7.542328 13.96950 6.872933 2.332138       10.20411 
1 1 1 -28 7  32 o 39.72615 6.299740 92.92087       23.68007 73.19865       31.00023 120.5502       36.69207 31.62347 9.357429 41.45981 9.273993 -9.836340      13.17454 
1 1 1 -28 7  33 o 16.64379 7.196403 8.523929       21.49320 4.512136       29.14638 13.30592       31.82144 17.52893 7.930148 19.14824 8.501312 -1.619312      11.62581 
1 1 1 -28 7  34 o 27.61180 9.051133 56.10767       28.22339 -7.147000      53.69621 80.25371       33.17572 19.73666 9.489906 32.44796 9.699687 -12.71130      13.56990 
1 1 1 -28 7  35 o 13.28995 6.451775 -28.04942      26.33377 -23.36000      48.70909 -29.98614      31.30284 18.12324 8.792659 14.44239 7.016545 3.680846       11.24912 
1 1 1 -28 7  36 o 17.54479 7.805954 8.456208       26.97277 39.25000       47.69242 -6.025307      32.70580 23.12898 10.32925 16.80826 7.881544 6.320717       12.99277 
1 1 1 -28 7  37 o 13.77253 6.476257 -11.11767      22.35319 -44.34289      30.06519 29.94963       33.42551 13.02876 6.438936 21.51583 9.130314 -8.487070      11.17240 
1 1 1 -28 7  38 o 22.51085 8.553078 35.37914       26.00871 7.654301       30.68012 106.2000       49.03465 17.98210 8.135551 32.51160 11.86016 -14.52950      14.38230 
1 1 1 -28 7  39 o 17.86041 7.764975 12.63534       25.30512 13.93375       30.49945 9.767000       45.33158 18.77864 8.330820 19.92197 9.321377 -1.143328      12.50163 
1 1 1 -28 7  40 o 16.89473 7.644718 5.012463       27.10164 2.612795       32.24236 10.79000       50.02908 17.46688 8.065434 20.21752 9.562071 -2.750641      12.50937 
1 1 1 -28 7  41 o 18.14148 7.970214 13.42332       27.27663 9.512095       33.13221 21.65000       48.05140 18.38168 8.370606 20.95746 9.735796 -2.575783      12.83950 
1 1 1 -28 7  42 o 15.88961 7.321922 -0.4590728     26.37509 -24.74000      41.48634 16.01231       34.16941 16.43765 8.006621 19.11703 8.623284 -2.679379      11.76720 
1 1 1 -28 7  43 o 22.07694 9.254535 38.17704       33.67035 85.11000       45.02144 -21.39000      50.72049 28.36314 11.12404 17.69235 8.667947 10.67079       14.10240 
1 1 1 -28 7  44 o 22.79891 8.416081 39.85993       24.80747 32.49534       35.10937 47.20250       35.05682 20.86272 9.107100 23.14638 9.550696 -2.283657      13.19678 
1 1 1 -28 7  45 o 13.94218 6.614417 -10.18830      24.29405 -22.85081      34.25237 2.630082       34.46255 14.91742 7.268144 17.09568 8.039660 -2.178257      10.83799 
1 1 1 -28 8  1  o 35.79426 5.107176 67.25443       17.38688 75.35519       25.55240 60.27000       23.72652 36.69458 7.370324 32.61408 7.577281 4.080494       10.57057 
1 1 1 -28 8  2  o 29.16095 5.311890 45.23709       14.60358 27.01586       24.02985 55.90779       18.38903 22.85337 8.307746 32.14275 6.067161 -9.289375      10.28733 
1 1 1 -28 8  3  o 34.80122 4.563449 62.79538       15.17093 44.38877       24.74839 73.87602       19.20182 27.70723 8.398954 37.39697 5.402028 -9.689735      9.986207 
1 1 1 -28 8  4  o 57.95158 3.403306 168.9664       19.22014 138.4655       29.48995 191.4903       25.34195 50.97843 6.026289 61.24710 4.253584 -10.26867      7.376255 
1 1 1 -28 8  5  o 34.32302 4.717458 61.36298       15.43011 61.65845       24.22858 61.16138       20.01356 32.92356 7.662469 33.50168 6.335135 -0.5781212     9.942202 
1 1 1 -28 8  6  o 36.42417 4.455209 68.59458       15.55389 66.43505       24.17001 70.12099       20.32047 34.33459 7.409451 36.11512 5.955707 -1.780529      9.506335 
1 1 1 -28 8  7  o 36.31844 4.456730 68.24581       15.51172 64.71823       23.84646 70.83325       20.42305 33.85422 7.402976 36.28194 5.957318 -2.427719      9.502299 
1 1 1 -28 8  8  o 17.13618 6.238454 13.74253       13.55682 11.02223       20.93653 15.70661       17.78998 18.27892 7.442935 18.69759 7.080796 -0.4186707     10.27302 
1 1 1 -28 8  9  o 27.40554 5.710758 40.74329       14.82164 37.71902       22.96824 42.90133       19.40206 25.62419 8.145127 27.51546 7.142261 -1.891270      10.83305 
1 1 1 -28 8  10 o 12.57190 5.552587 -2.205077      13.40312 1.041740       20.53361 -4.615427      17.69198 16.03951 6.983743 13.95857 6.258239 2.080944       9.377539 
1 1 1 -28 8  11 o 13.35445 5.900681 -2.150319      15.15145 -13.10917      21.02907 9.680000       21.84921 13.92440 6.458974 18.12572 7.515157 -4.201322      9.909386 
1 1 1 -28 8  12 o 33.53157 6.333735 62.01556       20.02666 15.53000       45.28757 73.31556       22.32848 23.59118 10.31972 36.42220 6.501621 -12.83102      12.19704 
1 1 1 -28 8  13 o 52.12314 3.811460 138.6492       19.31149 130.3250       27.93948 146.2639       26.72229 49.14330 5.927890 52.59568 5.261136 -3.452377      7.925871 
1 1 1 -28 8  14 o 15.71050 6.341961 8.209431       15.05009 5.531946       21.99018 10.56864       20.64185 17.20063 7.355676 17.87768 7.347683 -0.6770477     10.39685 
1 1 1 -28 8  15 o 40.86215 4.520373 87.26065       17.77818 42.52854       25.00479 132.9893       25.28178 26.53474 8.505551 50.02147 5.241238 -23.48673      9.990746 
1 1 1 -28 8  16 o 13.57388 5.961775 -0.7417755     15.25161 -18.56354      21.99016 15.77729       21.17122 13.44854 6.354277 19.08770 7.583785 -5.639168      9.893970 
1 1 1 -28 8  17 o 10.73320 5.136890 -17.97426      15.32930 3.890840       22.75527 -36.14171      20.74213 16.94309 7.364796 11.17336 5.488141 5.769732       9.184766 
1 1 1 -28 8  18 o 10.39351 5.036548 -22.69902      15.85988 -26.19718      22.81788 -19.42942      22.05984 12.84116 6.177415 13.29382 6.305690 -0.4526606     8.827354 
1 1 1 -28 8  19 o 41.73100 4.989531 93.13017       19.97753 92.39523       28.65814 93.82492       27.86361 39.40756 7.705772 40.00360 7.388029 -0.5960464     10.67529 
1 1 1 -28 8  20 o 9.864858 4.867336 -32.63134      16.93567 -26.02285      23.79654 -39.41384      24.10782 13.15823 6.324425 12.08111 5.930509 1.077121       8.670022 
1 1 1 -28 8  21 o 40.84839 5.247495 90.43890       20.49727 75.21255       28.63543 106.4378       29.35292 34.53877 8.523036 42.56724 7.307949 -8.028469      11.22712 
1 1 1 -28 8  22 o 15.92388 7.089231 0.7950442E-01  22.28273 -8.092358      25.30311 28.31000       47.02974 15.60820 7.184767 23.92721 10.49021 -8.319012      12.71477 
1 1 1 -28 8  23 f 23.17159 8.219222 32.72511       23.35942 30.36312       26.46660 41.05000       49.68769 22.66694 8.624343 25.56902 10.99771 -2.902082      13.97601 
1 1 1 -28 8  24 o 36.61594 5.935439 75.39363       20.54535 63.02303       28.06803 89.67237       30.15514 30.93339 8.832905 37.67959 8.391515 -6.746199      12.18350 
1 1 1 -28 8  25 o 57.51771 4.149496 173.2260       23.20460 164.8904       31.64665 182.9189       34.12593 54.16934 6.072975 56.88539 6.230642 -2.716049      8.700686 
1 1 1 -28 8  26 o 19.11668 7.538519 18.40642       20.77436 28.83000       29.93127 8.717696       28.85693 22.31394 8.966107 18.67653 8.201804 3.637403       12.15157 
1 1 1 -28 8  27 o 26.07736 7.903056 43.46035       21.91399 25.08000       30.87695 62.11496       31.10645 21.53567 8.931825 29.63561 9.485416 -8.099934      13.02884 
1 1 1 -28 8  28 o 28.31975 7.409565 49.92649       20.77213 47.52101       27.79672 52.96867       31.25973 26.31731 8.988247 27.24004 9.520918 -0.9227333     13.09338 
1 1 1 -28 8  29 f 43.01777 5.580020 103.7104       22.94268 82.61920       31.35954 128.0001       33.65349 34.65631 9.121822 45.21848 7.890240 -10.56217      12.06083 
1 1 1 -28 8  30 o 13.93074 6.420661 -6.849738      20.29720 3.745409       26.83146 -21.02391      31.03414 17.20809 7.711703 15.34949 7.336143 1.858601       10.64375 
1 1 1 -28 8  31 o 20.07468 7.735650 23.71972       21.47420 11.46747       28.29734 40.35709       32.97464 18.51497 8.126653 23.86834 9.470609 -5.353367      12.47938 
1 1 1 -28 8  32 o 29.12762 7.735442 55.46505       22.42333 30.27010       29.59028 89.44808       34.36557 21.75371 8.851937 34.59870 9.738213 -12.84499      13.16015 
1 1 1 -28 8  33 o 14.95402 6.887970 -4.611628      23.30738 7.153165       27.09702 -38.07000      45.69638 17.47269 7.795680 16.76760 8.217492 0.7050896      11.32695 
1 1 1 -28 8  34 o 17.78250 7.432512 14.47528       21.62145 5.944995       29.49826 24.37890       31.78424 17.70634 7.997239 20.69858 8.847207 -2.992233      11.92598 
1 1 1 -28 8  35 o 19.56697 8.248414 20.23630       26.98306 51.63000       49.57729 7.022627       32.16425 24.70209 10.80174 18.26505 8.289996 6.437042       13.61623 
1 1 1 -28 8  36 o 17.70163 7.849123 9.483458       27.04107 24.41000       49.02954 2.958242       32.41721 21.64725 9.977873 17.72730 8.150044 3.919947       12.88337 
1 1 1 -28 8  37 o 24.69331 8.230667 42.71245       23.30837 59.01377       32.25355 24.89358       33.72145 27.18777 9.656610 20.70166 8.982266 6.486111       13.18830 
1 1 1 -28 8  38 o 15.18357 6.903766 -0.5428896     22.43056 11.67987       30.61697 -14.70381      32.95515 18.48260 8.263611 15.95229 7.606436 2.530310       11.23143 
1 1 1 -28 8  39 o 20.95317 8.927927 27.54469       32.18626 27.54469       32.18626 0.000000       0.000000 20.95317 8.927927 ?        ?        ?              ?        
1 1 1 -28 8  40 o 14.46265 7.032609 -27.91101      31.63415 -27.91101      31.63415 0.000000       0.000000 14.46265 7.032609 ?        ?        ?              ?        
1 1 1 -28 8  41 o 20.28290 8.068562 26.50778       23.99278 10.78727       33.31431 43.44854       34.58308 18.53448 8.421971 23.41582 9.554098 -4.881346      12.73618 
1 1 1 -28 8  42 o 16.57386 7.783155 -3.487567      32.09802 -3.696000      42.37550 -3.207000      49.16420 18.02509 8.603253 18.78633 9.045113 -0.7612438     12.48319 
1 1 1 -28 8  43 o 15.76503 7.183111 2.757593       24.44227 2.092736       34.72885 3.410170       34.40659 17.37222 8.138179 17.46255 8.154315 -0.9033203E-01 11.52054 
1 1 1 -28 8  44 o 15.22822 7.036589 -0.2840418     24.60301 2.642206       34.64871 -3.259861      34.94096 17.18254 8.074500 16.66645 7.914276 0.5160866      11.30634 
1 1 1 -28 9  1  o 50.20114 4.161548 128.8133       20.26553 148.8620       29.00836 109.7000       28.32348 53.06411 5.672813 44.86670 6.650398 8.197403       8.741201 
1 1 1 -28 9  2  o 55.83563 3.455410 157.1461       18.79248 159.8770       30.14577 155.4103       24.03396 55.00092 5.681180 54.97346 4.505996 0.2746201E-01  7.251193 
1 1 1 -28 9  3  o 38.21051 4.325241 75.23185       15.89292 71.65309       26.61707 77.21469       19.81240 35.36180 7.890373 38.17449 5.457329 -2.812691      9.593770 
1 1 1 -28 9  4  o 46.68929 3.816920 110.8127       17.29151 94.52211       27.72541 121.1827       22.12074 41.27043 7.120496 48.36897 4.732755 -7.098537      8.549879 
1 1 1 -28 9  5  o 16.30348 6.219126 11.04465       13.78508 -4.027117      22.66625 19.89171       17.36589 15.93474 7.118303 19.86405 7.082539 -3.929317      10.04154 
1 1 1 -28 9  6  o 24.41468 6.121887 32.81931       14.60144 22.93175       23.19830 39.30642       18.79047 21.57841 8.104607 26.36898 7.116323 -4.790577      10.78549 
1 1 1 -28 9  7  o 31.81533 5.073462 53.55970       15.26938 68.75943       23.92495 43.11348       19.83412 34.92485 7.236647 27.52579 7.258907 7.399057       10.24992 
1 1 1 -28 9  8  o 19.95311 6.402898 21.40212       14.16723 33.69275       22.79088 13.66208       18.08612 24.38799 8.139011 18.14441 7.069661 6.243587       10.78071 
1 1 1 -28 9  9  o 50.19363 3.713381 128.0824       18.11498 88.73070       26.76782 161.3332       24.60546 39.76791 7.138937 55.86702 4.538617 -16.09911      8.459519 
1 1 1 -28 9  10 o 42.07294 4.702511 92.33130       19.03513 72.36919       25.58042 117.1000       28.49417 35.49425 7.592486 46.25622 6.470053 -10.76197      9.975342 
1 1 1 -28 9  11 f 38.23862 5.749073 78.85815       20.85286 29.74000       46.02363 91.54645       23.39169 25.48587 10.75952 41.09076 5.992123 -15.60488      12.31555 
1 1 1 -28 9  12 o 26.47797 6.292465 39.18732       16.06670 39.30038       24.03372 39.09596       21.60356 25.79988 8.345090 25.84304 7.849961 -0.4316139E-01 11.45698 
1 1 1 -28 9  13 o 17.63395 6.574723 14.65676       15.20940 9.453808       22.90849 18.75790       20.33875 18.20073 7.631880 19.77809 7.551830 -1.577366      10.73665 
1 1 1 -28 9  14 o 22.62699 6.663298 29.01565       15.75042 34.76089       23.28118 24.16681       21.38796 24.35881 8.227047 21.31140 7.823518 3.047417       11.35305 
1 1 1 -28 9  15 f 20.67465 6.881691 23.69637       16.29528 2.898130       24.25144 40.81587       22.00238 17.24667 7.547884 26.12772 7.919118 -8.881046      10.93997 
1 1 1 -28 9  16 o 18.53456 6.797429 17.40019       16.13932 16.65066       24.14757 18.00533       21.69740 19.76408 8.013377 19.63596 7.716100 0.1281261      11.12441 
1 1 1 -28 9  17 o 30.18877 6.209497 51.40213       17.73602 57.13272       26.01875 46.42805       24.24058 30.25676 8.458236 27.38000 8.314951 2.876751       11.86087 
1 1 1 -28 9  18 f 21.71094 7.176126 27.15818       17.72758 14.75619       26.11166 37.76223       24.14486 19.60663 8.179398 24.82522 8.378267 -5.218596      11.70888 
1 1 1 -28 9  19 o 14.33329 6.338521 -0.7107973     17.51890 -19.80061      25.38774 16.64242       24.20545 14.33651 6.789797 19.59949 7.994548 -5.262980      10.48876 
1 1 1 -28 9  20 o 25.16921 7.296458 37.96388       19.01618 28.90151       27.05159 46.81672       26.73704 22.53874 8.683048 26.99733 8.807116 -4.458590      12.36772 
1 1 1 -28 9  21 o 28.12662 8.122565 49.63367       23.60765 50.90450       27.22333 45.78000       47.40617 27.93907 8.865984 26.26775 10.99417 1.671314       14.12365 
1 1 1 -28 9  22 o 16.56082 7.259972 3.546474       22.52094 -1.423546      25.53171 20.97000       47.80450 16.57416 7.467143 23.10240 10.32770 -6.528236      12.74439 
1 1 1 -28 9  23 o 26.87999 7.251563 43.80577       19.51578 51.42678       26.76673 35.15663       28.51512 27.96686 8.780474 23.74834 8.971129 4.218523       12.55300 
1 1 1 -28 9  24 o 16.35041 6.892704 7.893926       18.84310 -16.55066      25.44089 37.59976       28.04542 14.54796 6.861880 24.25007 8.949068 -9.702111      11.27702 
1 1 1 -28 9  25 o 51.69257 5.021621 144.5253       25.08867 128.7000       37.22203 157.7006       33.96299 44.68330 8.823601 52.02955 6.833883 -7.346249      11.16055 
1 1 1 -28 9  26 o 21.64076 7.981628 28.10942       22.30407 62.84000       33.02887 -1.004977      30.24068 29.52243 9.796535 17.53159 7.988720 11.99084       12.64088 
1 1 1 -28 9  27 f 22.74189 7.624403 32.10705       19.99690 5.405211       26.71794 66.11460       30.15227 17.61189 7.806089 30.83805 9.253833 -13.22616      12.10655 
1 1 1 -28 9  28 o 25.50061 7.631517 41.38159       20.52769 38.43916       27.59511 45.02724       30.71612 23.98335 8.872219 25.33301 9.362491 -1.349659      12.89855 
1 1 1 -28 9  29 o 23.01317 7.761305 33.63869       20.71982 31.80642       27.56248 36.01963       31.41939 22.42916 8.730733 23.35962 9.252293 -0.9304600     12.72127 
1 1 1 -28 9  30 o 21.25547 7.750286 28.06380       20.93550 -11.24940      27.56858 81.62017       32.17739 15.41433 7.230536 33.75794 9.394804 -18.34361      11.85508 
1 1 1 -28 9  31 o 23.71379 7.865793 37.19904       21.29341 38.13360       28.05300 35.92871       32.70668 23.41946 8.886456 22.89234 9.309699 0.5271149      12.87010 
1 1 1 -28 9  32 o 23.13737 7.901870 35.49796       21.48337 38.41957       28.08163 31.37489       33.35972 23.41626 8.889654 22.04111 9.223727 1.375149       12.81027 
1 1 1 -28 9  33 f 20.52615 8.032216 26.18597       23.42837 8.740000       33.75429 42.40355       32.54425 18.69949 8.489251 23.86994 9.428403 -5.170454      12.68709 
1 1 1 -28 9  34 o 16.46775 7.325629 5.011524       23.74610 5.439718       28.02290 3.921000       44.72094 17.38278 7.827947 19.61545 9.203715 -2.232662      12.08243 
1 1 1 -28 9  35 o 21.64681 7.965472 31.00846       22.19243 7.894654       30.11590 58.47441       32.82899 17.97615 8.103326 27.07158 9.727994 -9.095428      12.66088 
1 1 1 -28 9  36 o 18.41547 8.022238 14.02896       27.12289 -27.69000      48.22662 33.32934       32.80220 17.62424 8.595219 22.06669 9.183615 -4.442442      12.57842 
1 1 1 -28 9  37 o 16.72788 7.597564 3.070742       27.07290 -13.94000      49.44497 10.35397       32.35358 18.57666 8.975586 18.54593 8.376001 0.3073120E-01  12.27675 
1 1 1 -28 9  38 o 17.50340 7.548109 12.28316       23.52282 35.72894       32.32640 -14.10244      34.29324 22.35733 9.192604 16.24992 7.751400 6.107405       12.02448 
1 1 1 -28 9  39 o 26.00087 9.841877 56.39837       34.35941 56.39837       34.35941 0.000000       0.000000 26.00087 9.841877 ?        ?        ?              ?        
1 1 1 -28 9  40 o 12.45393 6.133718 -37.06987      26.48668 -45.98421      31.51563 -15.63000      48.87563 13.17599 6.526210 18.16879 8.813099 -4.992798      10.96641 
1 1 1 -28 9  41 o 25.47015 9.757129 54.87702       34.02517 77.65000       44.37346 22.38000       53.00723 27.83799 11.00510 21.08456 9.932656 6.753431       14.82464 
1 1 1 -28 9  42 o 25.82828 8.449306 49.73961       24.60046 50.57887       34.62471 48.88410       34.95829 24.25287 9.677942 23.91036 9.660762 0.3425083      13.67453 
1 1 1 -28 9  43 o 20.86663 8.210837 31.34361       24.59800 43.23122       34.53078 19.09675       35.04866 22.61933 9.418761 19.18158 8.685155 3.437748       12.81191 
1 1 1 -28 9  44 o 12.74215 6.174346 -21.17720      23.82718 5.018501       33.87342 -46.83337      33.52277 17.30614 8.084435 13.27022 6.599728 4.035913       10.43621 
1 1 1 -28 10 1  f 27.67393 5.687846 41.52387       14.89191 37.81313       26.38185 43.25915       18.04096 25.65710 8.756651 27.80379 6.707010 -2.146690      11.03009 
1 1 1 -28 10 2  o 30.98913 5.930956 52.18822       17.33527 66.79605       26.23673 40.87000       23.09436 33.90654 8.029974 26.54486 8.126841 7.361679       11.42480 
1 1 1 -28 10 3  o 36.90470 4.617779 70.90527       16.31685 75.87629       26.63762 67.91989       20.64293 36.40252 7.715727 35.30033 6.200424 1.102188       9.898368 
1 1 1 -28 10 4  o 19.55041 6.519691 20.18675       14.62466 12.22860       24.23521 24.74433       18.34036 19.29358 7.948930 21.44625 7.301486 -2.152668      10.79339 
1 1 1 -28 10 5  o 32.10709 5.070979 54.60296       15.40823 81.13940       25.20961 38.77795       19.46780 38.10812 7.016855 26.06018 7.327618 12.04793       10.14545 
1 1 1 -28 10 6  o 59.97169 3.446029 181.6573       20.14369 157.5246       30.89970 199.4932       26.56428 54.22791 5.917268 62.26843 4.386435 -8.040524      7.365791 
1 1 1 -28 10 7  o 21.87169 6.374122 26.47946       14.47795 13.69170       22.97039 34.90783       18.64845 19.25304 7.812157 24.76079 7.239267 -5.507750      10.65067 
1 1 1 -28 10 8  o 18.26618 6.719119 16.00682       15.78859 28.43274       22.95192 4.845000       21.75316 22.83554 8.142318 17.09600 7.313550 5.739546       10.94465 
1 1 1 -28 10 9  o 17.43366 6.991559 11.14072       18.16262 14.57000       44.31266 10.44828       19.91205 23.27448 10.19393 17.73128 7.243961 5.543200       12.50565 
1 1 1 -28 10 10 o 14.44222 6.095205 3.600125       14.76201 0.7580771      22.57597 5.722885       19.51108 16.54182 7.259727 16.54417 6.996099 -0.2349854E-02 10.08211 
1 1 1 -28 10 11 o 20.81918 6.663599 23.92395       15.35164 -0.1390203     23.33382 42.28888       20.38477 16.58808 7.326359 26.93699 7.470559 -10.34890      10.46350 
1 1 1 -28 10 12 o 27.74635 6.051064 42.78698       15.97002 41.00057       24.35984 44.13350       21.14901 26.15190 8.396362 27.38431 7.614855 -1.232407      11.33512 
1 1 1 -28 10 13 f 26.01442 6.337260 38.19764       15.98574 42.88144       24.50412 34.72739       21.09212 26.61535 8.407271 24.34321 7.812666 2.272142       11.47693 
1 1 1 -28 10 14 o 49.52384 4.077627 126.6877       19.59147 95.60497       29.38956 151.5466       26.28302 40.37403 7.718008 53.44040 5.085817 -13.06637      9.243007 
1 1 1 -28 10 15 o 33.02040 5.617938 59.71220       17.50822 40.26878       26.18097 75.44209       23.54845 25.60166 8.723551 36.30674 6.877985 -10.70507      11.10887 
1 1 1 -28 10 16 o 13.34334 5.991113 -3.652177      16.27886 8.061522       24.72151 -12.61977      21.63046 18.11512 7.773988 13.97220 6.504759 4.142916       10.13641 
1 1 1 -28 10 17 o 38.70522 5.248622 80.98002       19.37287 69.68408       28.77023 90.35069       26.20399 33.15969 8.741512 39.53284 7.029390 -6.373154      11.21724 
1 1 1 -28 10 18 o 11.77210 5.577736 -15.92919      17.16876 -20.54946      25.22369 -11.94082      23.43540 14.20160 6.738155 14.62881 6.796955 -0.4272137     9.570859 
1 1 1 -28 10 19 o 16.50662 6.891567 8.313960       18.55800 -15.89488      26.71715 30.88398       25.79700 15.14182 7.107564 22.92350 8.559489 -7.781678      11.12575 
1 1 1 -28 10 20 o 16.76814 7.388209 2.867422       23.59576 -7.737814      27.44869 32.89000       46.18335 16.27306 7.488043 24.49784 10.57044 -8.224773      12.95395 
1 1 1 -28 10 21 o 14.00034 6.520222 -11.79255      21.76455 -35.81124      24.68171 72.18000       46.14973 12.50401 6.109149 30.38280 11.42692 -17.87879      12.95748 
1 1 1 -28 10 22 o 38.83855 5.484610 83.08041       20.27077 79.89548       27.83349 86.67772       29.58061 35.79024 8.130704 37.10878 8.346603 -1.318539      11.65222 
1 1 1 -28 10 23 f 15.15321 6.616156 2.486336       18.53842 8.101060       25.04132 -4.322646      27.57618 17.88285 7.749873 16.62655 7.596334 1.256298       10.85195 
1 1 1 -28 10 24 o 13.06168 6.162130 -15.22661      20.53625 -7.608000      29.49674 -22.39349      28.60890 16.65239 7.698204 14.83941 7.078937 1.812971       10.45819 
1 1 1 -28 10 25 o 48.82202 5.325736 130.8255       25.03861 132.3000       37.77922 129.6706       33.43695 45.13825 8.867181 46.11377 7.677637 -0.9755173     11.72915 
1 1 1 -28 10 26 o 17.29118 7.184867 11.57374       20.03258 -22.26769      26.50510 56.66001       30.59336 14.14495 6.765677 28.29479 9.429551 -14.14984      11.60564 
1 1 1 -28 10 27 o 36.62864 6.253383 77.66452       21.61614 57.03164       29.10584 103.0424       32.27959 28.51753 9.180006 39.76972 8.546834 -11.25219      12.54276 
1 1 1 -28 10 28 o 15.01148 6.688155 0.5876085      19.87183 -4.929674      26.26516 7.973872       30.38994 15.94131 7.331538 18.55856 8.269545 -2.617247      11.05155 
1 1 1 -28 10 29 o 14.01414 6.444529 -6.128594      20.28669 -6.415605      27.11559 -5.763696      30.57422 15.89109 7.358421 16.76332 7.780055 -0.8722324     10.70867 
1 1 1 -28 10 30 o 32.16224 7.070182 63.92672       21.65006 43.90377       28.93579 89.39173       32.63197 24.77906 9.099310 35.43714 9.294359 -10.65808      13.00702 
1 1 1 -28 10 31 o 35.12613 6.658648 74.55934       22.05641 88.70657       29.57477 56.82949       33.10841 36.22897 8.489131 27.01021 9.761073 9.218763       12.93615 
1 1 1 -28 10 32 o 35.06279 6.854344 75.46434       22.68092 71.82533       30.46100 79.99211       33.97773 31.15556 9.289837 32.10649 9.862705 -0.9509239     13.54895 
1 1 1 -28 10 33 o 13.81223 6.416999 -7.705747      20.88163 7.707074       27.49729 -28.70394      32.09517 17.58274 7.848357 14.69861 7.132606 2.884129       10.60522 
1 1 1 -28 10 34 f 18.28331 7.735715 15.38205       23.87581 19.02000       35.97469 12.51814       31.91896 20.25237 9.012497 18.93847 8.454529 1.313902       12.35735 
1 1 1 -28 10 35 o 26.83069 8.592337 51.73162       25.52208 63.14312       30.79493 26.70000       45.60920 28.55708 9.458858 21.64215 9.841987 6.914930       13.65045 
1 1 1 -28 10 36 o 18.86726 8.111510 17.19172       27.00704 -18.44000      48.88096 32.84808       32.40162 18.21278 8.829527 21.88974 9.120061 -3.676962      12.69394 
1 1 1 -28 10 37 o 21.61307 8.720135 31.67967       28.43729 -44.90000      50.13973 67.99465       34.52774 16.86516 8.331281 28.66132 10.00701 -11.79616      13.02115 
1 1 1 -28 10 38 o 23.54581 9.559586 42.95991       34.41908 37.13000       50.65526 47.96000       46.91184 22.68412 10.33767 23.86216 10.46892 -1.178041      14.71277 
1 1 1 -28 10 39 o 16.83788 7.347077 9.844992       22.82969 9.522070       31.24836 10.21468       33.43451 18.10934 8.200110 18.48106 8.413084 -0.3717175     11.74827 
1 1 1 -28 10 40 o 18.44959 8.279696 12.45079       31.04869 5.795000       40.16019 22.34000       48.95273 18.78941 8.785645 21.00085 9.779849 -2.211435      13.14660 
1 1 1 -28 10 41 o 27.45190 9.051344 58.93100       28.20873 36.34674       34.00143 108.8000       50.52538 21.94080 9.254693 31.18444 11.90376 -9.243637      15.07809 
1 1 1 -28 10 42 o 16.65180 7.360846 9.499756       23.60279 27.00963       32.51480 -10.00475      34.31683 20.24655 8.802139 16.19902 7.734553 4.047522       11.71755 
1 1 1 -28 10 43 o 15.88601 7.189120 5.171144       23.97590 14.29535       33.90109 -3.959466      33.91299 18.39107 8.410101 16.48971 7.820653 1.901356       11.48444 
1 1 1 -28 10 44 o 19.01967 7.929262 23.88120       24.51513 45.86799       35.12224 2.992330       34.23409 22.57820 9.457455 17.05746 8.018959 5.520741       12.39948 
1 1 1 -28 11 1  o 20.84267 6.445223 23.81709       14.48143 17.37929       25.24771 26.97344       17.67852 20.51116 8.237187 22.07139 7.158661 -1.560223      10.91319 
1 1 1 -28 11 2  o 16.47449 6.350697 11.20332       14.47709 31.41969       25.65021 1.752904       17.53739 23.83915 8.594715 15.10015 6.514617 8.739003       10.78468 
1 1 1 -28 11 3  o 17.31251 6.474010 13.66601       14.76884 19.11983       25.07410 10.76877       18.27538 20.84907 8.263006 17.39905 7.000897 3.450026       10.83004 
1 1 1 -28 11 4  f 43.71406 4.097688 98.19592       17.32902 96.78549       27.25931 99.15249       22.44901 41.66791 6.926630 43.17898 5.431406 -1.511070      8.802180 
1 1 1 -28 11 5  o 32.30654 5.248861 55.72541       16.02903 53.38415       25.89941 57.17894       20.40685 29.85376 8.471718 31.92754 6.741715 -2.073780      10.82685 
1 1 1 -28 11 6  o 36.16116 4.769315 68.66644       16.47009 65.62025       26.29168 70.63391       21.12980 33.33037 8.132046 35.86241 6.246204 -2.532040      10.25403 
1 1 1 -28 11 7  o 16.85868 6.626573 11.22504       16.00640 15.12409       23.35599 7.772000       21.97959 19.56716 7.899878 17.68875 7.449889 1.878408       10.85859 
1 1 1 -28 11 8  o 35.75236 5.990116 69.81820       20.22180 8.977000       46.98714 83.64869       22.40263 22.90109 10.23827 39.16506 6.037549 -16.26397      11.88588 
1 1 1 -28 11 9  o 38.53814 4.688626 77.92989       17.32300 80.64668       26.74272 75.96578       22.73837 37.33776 7.576569 36.94283 6.526774 0.3949318      10.00016 
1 1 1 -28 11 10 o 47.67591 4.028269 116.9808       18.62277 116.9641       28.26367 116.9937       24.75658 45.99759 6.454898 46.70668 5.521735 -0.7090874     8.494425 
1 1 1 -28 11 11 o 22.22402 6.638466 27.93757       15.54408 -5.051321      23.87896 52.19519       20.47649 15.91668 7.191513 30.08043 7.074015 -14.16376      10.08759 
1 1 1 -28 11 12 o 12.79393 5.758596 -4.410120      15.14390 2.709142       24.47235 -8.828136      19.27844 17.27637 7.570971 13.73038 6.302375 3.545994       9.850865 
1 1 1 -28 11 13 o 16.43973 6.524715 10.61747       15.65499 -1.603688      24.98662 18.51497       20.08612 16.67930 7.460721 19.50794 7.490718 -2.828636      10.57228 
1 1 1 -28 11 14 o 15.05335 6.344530 4.999687       15.95953 -2.239881      25.22019 9.835030       20.61131 16.59253 7.452963 17.49429 7.280130 -0.9017658     10.41859 
1 1 1 -28 11 15 o 12.28320 5.680477 -9.303763      16.08252 -4.623487      25.23308 -12.50574      20.87101 16.21001 7.351476 13.70662 6.383949 2.503389       9.736478 
1 1 1 -28 11 16 o 15.03500 6.478537 3.110466       17.30229 -10.11448      26.39773 13.07129       22.90959 15.78773 7.292852 18.62618 7.706502 -2.838452      10.61018 
1 1 1 -28 11 17 o 36.92886 5.627527 74.97127       19.69982 69.41553       29.03204 79.71224       26.81889 32.92521 8.828103 36.39008 7.765902 -3.464870      11.75775 
1 1 1 -28 11 18 o 29.00175 6.869908 49.34552       19.20024 60.98599       27.99606 39.00840       26.38224 30.70708 8.838513 24.93615 8.744403 5.770931       12.43318 
1 1 1 -28 11 19 o 15.55011 7.074171 -4.941735      23.59052 -1.171085      27.05532 -16.90000      48.18132 17.03728 7.680282 19.70302 9.337954 -2.665741      12.09066 
1 1 1 -28 11 20 o 28.95848 8.328200 53.41242       24.86644 82.72930       28.93331 -29.44000      48.63980 36.32584 8.316957 18.79000 9.034037 17.53584       12.27948 
1 1 1 -28 11 21 o 15.36149 6.649957 3.645624       18.39722 -21.46809      24.76893 34.54970       27.47639 13.83545 6.596321 23.60675 8.829854 -9.771297      11.02170 
1 1 1 -28 11 22 o 15.76604 6.794683 4.841970       19.03837 3.162729       25.78284 6.855423       28.23222 17.24052 7.653426 18.34879 8.083225 -1.108271      11.13164 
1 1 1 -28 11 23 o 27.04765 7.956849 46.29948       22.46908 69.94000       33.68464 27.34863       30.15905 31.38304 9.849574 22.09637 8.956752 9.286669       13.31306 
1 1 1 -28 11 24 o 34.99675 7.005548 72.96815       23.16008 45.16000       34.72867 95.24107       31.08070 25.55920 9.840488 38.56440 8.466290 -13.00520      12.98127 
1 1 1 -28 11 25 f 34.97652 6.374453 71.08952       21.01975 41.72330       28.06908 108.5844       31.71688 24.90016 8.989043 41.52699 8.093827 -16.62683      12.09599 
1 1 1 -28 11 26 o 16.25019 6.954419 7.190148       19.68315 17.53442       26.32141 -5.932859      29.64667 19.54473 8.187057 16.69972 7.719257 2.845016       11.25233 
1 1 1 -28 11 27 o 20.06438 7.559234 23.31451       20.21529 38.60517       27.23353 4.550201       30.16873 23.97633 8.823699 18.04023 8.123236 5.936096       11.99352 
1 1 1 -28 11 28 f 18.46493 7.385006 17.16814       20.20753 16.38471       27.15635 18.14014       30.24861 19.30643 8.212605 20.00942 8.593270 -0.7029896     11.88660 
1 1 1 -28 11 29 o 27.14018 7.568347 47.43314       20.85945 7.454375       27.51964 101.4204       31.97964 17.78012 7.899190 38.91878 8.621938 -21.13866      11.69337 
1 1 1 -28 11 30 f 16.11909 6.977468 7.203740       20.25134 12.39154       27.04425 0.5813599      30.55558 18.32865 7.997069 17.29438 7.936847 1.034264       11.26706 
1 1 1 -28 11 31 o 21.70173 7.729146 30.48854       20.67596 39.68141       27.50058 18.53578       31.35816 23.67345 8.837980 19.79649 8.624826 3.876961       12.34899 
1 1 1 -28 11 32 o 14.87832 6.709765 -0.1252821E-01 20.67382 -10.72163      27.41151 14.11515       31.48415 15.21349 7.159393 19.07189 8.462397 -3.858405      11.08463 
1 1 1 -28 11 33 o 39.50775 6.298627 92.61087       23.54036 86.17105       32.22347 99.98094       34.47239 34.27875 9.347892 36.92886 9.486904 -2.650112      13.31857 
1 1 1 -28 11 34 o 11.37075 5.569621 -29.76150      20.90680 -28.41675      28.21179 -31.39964      31.13761 13.69747 6.656129 14.20091 6.921432 -0.5034361     9.602618 
1 1 1 -28 11 35 o 16.23834 7.315054 3.170757       24.49469 -33.27000      37.46130 30.38659       32.37427 15.44205 7.540658 21.52080 9.051349 -6.078743      11.78085 
1 1 1 -28 11 36 o 14.78973 6.901572 -7.451397      24.57974 11.69797       30.03409 -46.29000      42.77294 18.38139 8.203790 15.60207 7.705028 2.779316       11.25476 
1 1 1 -28 11 37 o 21.53108 9.199872 30.84866       34.34735 10.28000       51.05899 47.85000       46.42060 20.37343 9.643001 23.85261 10.44071 -3.479174      14.21252 
1 1 1 -28 11 38 o 15.14484 7.136293 -9.795020      27.39249 -56.99000      50.04107 10.39740       32.73203 16.16537 8.043515 18.46469 8.373567 -2.299318      11.61098 
1 1 1 -28 11 39 o 18.98504 8.483345 15.59022       32.21730 12.02000       43.65604 19.86000       47.74191 19.68739 9.190579 20.68518 9.641309 -0.9977951     13.31997 
1 1 1 -28 11 40 o 15.46691 7.038636 0.8861734      23.37820 3.465408       32.66153 -1.823473      33.47707 17.51054 8.096945 17.07253 7.995330 0.4380112      11.37918 
1 1 1 -28 11 41 o 17.02003 7.665849 7.978523       26.88688 8.597437       32.21598 6.558000       48.80683 17.85888 8.178649 19.34447 9.233008 -1.485592      12.33445 
1 1 1 -28 11 42 o 30.29628 9.013734 71.96393       28.70199 86.22993       34.81941 41.72000       50.69782 31.42544 10.03316 21.97124 10.13403 9.454195       14.26054 
1 1 1 -28 11 43 o 20.27514 8.096408 29.69485       24.25011 -14.69761      33.70814 77.31831       34.91328 15.44051 7.448074 28.80614 10.06237 -13.36563      12.51899 
1 1 1 -28 12 1  f 25.37418 6.978379 36.79552       17.87074 49.86285       26.94973 26.54000       23.87481 28.62321 8.782008 22.32379 8.253558 6.299423       12.05176 
1 1 1 -28 12 2  o 58.12682 4.171192 173.7308       23.57469 158.3821       31.90031 192.2000       34.99321 54.01015 6.143151 59.59531 6.084076 -5.585155      8.646056 
1 1 1 -28 12 3  o 43.21463 4.253118 96.56613       17.75766 85.33733       28.70703 103.5259       22.60050 38.21513 7.934313 44.10238 5.344307 -5.887249      9.566344 
1 1 1 -28 12 4  f 23.31342 6.563766 30.63482       15.61007 24.70168       25.63991 34.12925       19.67716 22.06126 8.465212 24.32695 7.511339 -2.265690      11.31724 
1 1 1 -28 12 5  o 17.51797 6.819256 12.97258       16.81524 10.93756       24.66409 14.74000       22.98525 18.93934 7.928719 19.35016 7.828077 -0.4108181     11.14196 
1 1 1 -28 12 6  o 22.53706 7.325611 28.73486       18.50707 43.70000       45.30077 25.73673       20.27635 27.21007 10.99616 21.70158 7.661388 5.508490       13.40195 
1 1 1 -28 12 7  o 27.51794 6.208383 42.33637       16.32343 37.93955       25.99359 45.19932       20.97506 25.27608 8.690030 27.75514 7.530663 -2.479065      11.49902 
1 1 1 -28 12 8  o 49.17173 4.085778 124.6481       19.48762 87.44004       29.74360 152.6338       25.79546 38.32132 8.178692 53.82718 4.951369 -15.50586      9.560704 
1 1 1 -28 12 9  o 28.39682 6.065945 44.92042       16.34839 47.57035       25.60831 43.09747       21.23986 27.86103 8.562959 26.96896 7.678161 0.8920708      11.50124 
1 1 1 -28 12 10 o 19.32959 6.722043 19.93199       15.57144 -19.06686      24.30325 47.09064       20.28114 14.19812 6.699865 28.36745 7.271070 -14.16933      9.887196 
1 1 1 -28 12 11 o 17.50268 6.668208 14.15980       15.83517 19.29941       25.37636 10.88221       20.26475 20.55745 8.257327 17.69631 7.277457 2.861139       11.00658 
1 1 1 -28 12 12 o 16.89926 6.637086 12.02562       16.04587 -2.083701      25.87248 20.84473       20.45491 16.81022 7.549902 20.12458 7.599061 -3.314352      10.71199 
1 1 1 -28 12 13 o 11.43800 5.386744 -13.39689      15.57034 -22.86268      25.35902 -7.669011      19.72655 14.04074 6.688661 13.98463 6.402700 0.5610657E-01  9.259198 
1 1 1 -28 12 14 o 14.21494 6.211402 0.7315705      16.36764 0.4916683E-01  26.07854 1.175093       21.02424 17.10053 7.637468 15.85674 6.980803 1.243790       10.34710 
1 1 1 -28 12 15 o 13.23612 5.986190 -4.786461      16.59277 -14.84657      25.75617 2.350958       21.69454 15.01506 7.025701 16.24925 7.124394 -1.234196      10.00587 
1 1 1 -28 12 16 o 26.12842 7.062988 40.49433       18.49163 42.65667       27.99125 38.81987       24.63189 25.84384 9.011000 24.98355 8.462224 0.8602886      12.36153 
1 1 1 -28 12 17 o 16.87275 6.976160 9.801546       18.75520 21.76881       27.50777 -0.5945295     25.63850 21.03395 8.543758 16.78555 7.529090 4.248394       11.38785 
1 1 1 -28 12 18 o 16.18596 7.199165 0.5744240      22.92429 7.830905       26.22137 -22.96000      47.22197 18.20036 7.908619 19.04636 9.088271 -0.8459969     12.04753 
1 1 1 -28 12 19 o 20.31313 7.980145 21.43708       23.20261 17.72080       26.48105 33.72000       48.14281 19.98529 8.278669 24.56916 10.69564 -4.583868      13.52527 
1 1 1 -28 12 20 f 12.27252 5.784133 -14.17353      18.01344 -28.20127      25.11931 0.6774854      25.84593 13.28226 6.412577 16.90914 7.573919 -3.626881      9.923981 
1 1 1 -28 12 21 f 20.73595 7.504236 24.73886       19.57718 18.60152       26.53774 32.06701       28.99821 20.05549 8.295761 23.01672 8.956427 -2.961233      12.20808 
1 1 1 -28 12 22 o 19.84379 7.745551 20.76985       21.74067 18.49000       31.89388 22.74866       29.71368 20.72424 8.860424 21.18559 8.772062 -0.4613514     12.46821 
1 1 1 -28 12 23 o 19.10543 7.629711 18.03073       21.53615 14.48000       31.57086 21.12100       29.45277 19.97146 8.678076 20.77949 8.679183 -0.8080273     12.27343 
1 1 1 -28 12 24 o 24.25272 7.585300 36.93190       19.99518 32.93541       27.14487 41.67271       29.56476 22.85574 8.725000 24.80517 9.182094 -1.949429      12.66635 
1 1 1 -28 12 25 o 20.63689 7.618356 25.06240       20.32799 18.81359       27.67444 32.38466       29.95731 19.96845 8.381676 22.75300 9.027282 -2.784546      12.31845 
1 1 1 -28 12 26 o 26.25265 7.613009 43.96158       20.69892 31.10016       27.90489 59.69495       30.86360 22.27608 8.751440 28.72021 9.467618 -6.444132      12.89277 
1 1 1 -28 12 27 o 27.25092 7.600692 47.36872       21.03594 39.28934       28.66086 56.80364       30.97200 24.02926 9.011924 27.92900 9.488690 -3.899734      13.08625 
1 1 1 -28 12 28 o 19.01807 7.469188 19.77871       20.32136 14.99987       27.64198 25.39915       29.97736 19.01090 8.190141 21.06412 8.773860 -2.053219      12.00246 
1 1 1 -28 12 29 o 40.88929 5.765621 95.92532       22.43629 73.14559       30.21100 123.9403       33.50316 31.80577 9.189674 43.61051 8.148069 -11.80474      12.28174 
1 1 1 -28 12 30 o 49.94160 4.886841 137.3016       23.58354 128.9919       32.43360 146.6242       34.35347 45.12127 7.614295 48.27539 7.514520 -3.154121      10.69792 
1 1 1 -28 12 31 o 14.08572 6.479702 -4.928370      20.53362 -23.21313      27.69699 17.38576       30.59693 14.05006 6.770850 19.44193 8.494012 -5.391869      10.86244 
1 1 1 -28 12 32 f 24.19803 8.013759 39.86120       22.10442 40.19124       29.77889 39.45621       32.98752 23.53033 9.098212 23.26031 9.389359 0.2700214      13.07431 
1 1 1 -28 12 33 o 16.38927 7.161807 7.454243       21.76167 16.34970       29.12528 -3.788045      32.74263 19.07227 8.310653 17.05210 7.960028 2.020164       11.50778 
1 1 1 -28 12 34 o 21.94277 8.029480 32.41750       22.50074 8.774768       30.60958 60.21167       33.18833 18.11033 8.166135 27.27685 9.783611 -9.166523      12.74381 
1 1 1 -28 12 35 o 15.88463 7.017426 5.488674       21.42027 5.646490       28.87088 5.295425       31.94797 17.36601 7.870894 17.81944 8.154564 -0.4534359     11.33349 
1 1 1 -28 12 36 o 15.38847 7.277125 -11.32666      28.95735 -16.57000      39.08027 -4.943000      43.12099 16.87181 8.108166 18.37874 8.745814 -1.506933      11.92609 
1 1 1 -28 12 37 o 12.12780 5.993318 -40.39003      26.03413 -47.90971      32.74062 -27.46000      42.93260 13.40435 6.641533 16.70084 8.137089 -3.296491      10.50344 
1 1 1 -28 12 38 o 20.21068 8.929746 23.07342       34.69648 0.000000       0.000000 23.07342       34.69648 ?        ?        20.21068 8.929746 ?              ?        
1 1 1 -28 12 39 o 13.84827 6.690762 -22.69809      27.46969 -84.41000      51.05808 2.441300       32.58798 15.11316 7.606024 17.41175 8.064061 -2.298580      11.08516 
1 1 1 -28 12 40 o 30.17761 8.114411 64.19239       24.48516 51.73980       34.47641 76.86532       34.78008 24.55418 9.702505 29.79645 10.05558 -5.242271      13.97331 
1 1 1 -28 12 41 f 16.59207 7.557681 5.364873       27.03222 -18.42736      32.63416 57.38000       48.25249 15.16414 7.318160 23.83917 10.53191 -8.675030      12.82484 
1 1 1 -28 12 42 o 15.68322 7.297199 -0.7729626     27.16128 -21.67817      32.83773 44.51000       48.32960 14.80143 7.189945 22.03167 10.06224 -7.230242      12.36705 
1 1 1 -28 12 43 o 13.80407 6.651676 -17.22389      26.71553 -2.765558      32.37849 -48.06000      47.28542 16.25772 7.690224 15.52020 7.737986 0.7375231      10.90944 
1 1 1 -28 13 1  o 37.55705 6.401289 78.42743       22.68927 36.33000       35.60921 107.2000       29.43905 25.25644 9.896834 43.40152 7.180538 -18.14508      12.22732 
1 1 1 -28 13 2  o 50.90192 3.829036 132.7240       18.93801 87.70796       30.58060 160.7279       24.11968 38.17925 8.410523 55.60397 4.469201 -17.42472      9.524214 
1 1 1 -28 13 3  o 70.06554 3.349286 248.4436       22.90359 229.9914       35.97095 261.0254       29.70282 65.44071 5.671558 71.08266 4.288970 -5.641945      7.110684 
1 1 1 -28 13 4  o 23.53405 7.286723 31.95706       18.50293 21.48028       27.14442 41.05000       25.28825 21.41798 8.561533 26.06150 8.568898 -4.643518      12.11304 
1 1 1 -28 13 5  o 29.62059 6.804797 50.16977       19.31398 82.17000       48.80859 44.22873       21.03058 33.47337 11.88012 27.35947 7.588066 6.113907       14.09666 
1 1 1 -28 13 6  o 40.14208 4.652761 84.72147       17.94353 44.84293       27.98423 112.5645       23.38308 26.91688 9.019411 45.88410 5.303880 -18.96722      10.46331 
1 1 1 -28 13 7  o 41.91478 4.498133 91.96862       18.16627 59.85698       28.54006 113.8402       23.55397 30.85932 8.936634 46.11073 5.315802 -15.25141      10.39813 
1 1 1 -28 13 8  o 47.22128 4.100763 115.3963       18.76659 74.23468       28.89443 145.4283       24.68082 34.71553 8.558434 52.49354 4.858503 -17.77801      9.841333 
1 1 1 -28 13 9  o 37.63697 4.887338 75.37972       17.58022 48.89605       27.66767 93.31248       22.76706 27.82602 8.949677 41.30187 5.790441 -13.47586      10.65955 
1 1 1 -28 13 10 o 30.14625 6.022904 50.83421       17.15019 37.08138       27.72294 59.36041       21.82836 24.71364 8.931870 31.85216 7.174198 -7.138523      11.45633 
1 1 1 -28 13 11 o 30.32069 6.087263 51.66508       17.43790 48.76309       28.62628 53.37728       21.98841 27.53696 9.119675 29.85986 7.526663 -2.322899      11.82451 
1 1 1 -28 13 12 o 44.06385 4.655210 102.6797       19.77517 90.28674       31.46815 110.7679       25.42203 38.02140 8.650928 44.78125 5.946574 -6.759846      10.49763 
1 1 1 -28 13 13 o 20.73658 7.149203 24.27618       17.59700 29.58656       28.36021 20.95183       22.43884 22.86607 8.868617 20.29440 7.883789 2.571678       11.86619 
1 1 1 -28 13 14 o 22.32910 7.186433 29.20399       17.83758 30.43007       28.10671 28.37715       23.08146 22.98693 8.852060 22.18936 8.130383 0.7975731      12.01924 
1 1 1 -28 13 15 o 12.83355 5.908613 -8.275141      17.12366 -13.15211      26.64933 -4.845558      22.34766 15.42774 7.194969 15.22163 6.909234 0.2061129      9.975224 
1 1 1 -28 13 16 o 23.44806 8.346919 33.49674       24.11035 27.36171       28.76713 47.98000       44.19992 22.25100 8.840321 26.54927 10.81295 -4.298277      13.96679 
1 1 1 -28 13 17 o 37.32204 7.107032 82.13580       25.01533 95.57483       29.56503 48.27000       46.93264 39.54053 7.915261 26.45450 10.99530 13.08603       13.54799 
1 1 1 -28 13 18 o 15.63894 7.029215 -1.788102      22.47465 -3.325600      25.69096 3.225000       46.39020 16.31459 7.406407 21.03899 9.700415 -4.724400      12.20463 
1 1 1 -28 13 19 o 11.78444 5.614953 -17.53478      17.88941 4.396776       25.61045 -38.43245      24.99950 17.40351 7.681458 12.36048 6.061841 5.043027       9.785229 
1 1 1 -28 13 20 o 22.10300 7.522018 29.36590       19.46471 13.54047       27.38497 45.52457       27.67179 19.25185 8.220033 26.18288 8.967342 -6.931038      12.16479 
1 1 1 -28 13 21 o 21.31898 7.875994 26.61995       21.73311 43.01000       32.94668 13.99431       28.91667 25.25678 9.619369 19.53953 8.396864 5.717253       12.76870 
1 1 1 -28 13 22 o 16.51093 7.170800 5.626892       21.53397 -0.1747000     32.00502 10.42572       29.10799 18.03096 8.217115 18.93306 8.277939 -0.9020996     11.66384 
1 1 1 -28 13 23 o 29.20113 7.397652 52.88196       21.16553 33.09699       28.66054 76.61562       31.39056 22.90561 8.906678 33.25933 9.287817 -10.35371      12.86827 
1 1 1 -28 13 24 o 31.89990 7.011038 61.53604       21.29328 46.33457       28.76316 79.96908       31.67322 25.88597 9.126153 33.98793 9.267387 -8.101961      13.00658 
1 1 1 -28 13 25 o 22.98416 7.638656 33.41561       20.07900 16.07376       26.69065 56.02591       30.47645 19.22514 8.158549 27.87255 9.412908 -8.647408      12.45652 
1 1 1 -28 13 26 o 15.75424 6.826768 5.431478       19.42752 -3.404351      26.09710 16.41489       29.09626 16.06780 7.359411 19.59181 8.421165 -3.524008      11.18378 
1 1 1 -28 13 27 o 17.05073 7.110068 11.75574       19.71805 -0.5361609     26.50715 26.98420       29.50405 16.45291 7.490271 21.32585 8.776755 -4.872944      11.53844 
1 1 1 -28 13 28 o 27.33881 7.598319 48.55932       21.06313 28.20613       28.45602 73.22488       31.32589 21.34403 8.682337 31.51571 9.426422 -10.17168      12.81563 
1 1 1 -28 13 29 o 15.35779 6.807917 3.103715       20.32860 -14.87741      28.17603 22.62560       29.35838 15.02025 7.125124 20.26710 8.576683 -5.246852      11.15020 
1 1 1 -28 13 30 o 22.72613 7.874232 34.50100       21.35769 53.27999       29.67953 14.33249       30.75798 26.52352 9.276686 19.01629 8.404589 7.507221       12.51775 
1 1 1 -28 13 31 o 18.23715 7.473425 17.09147       21.27431 23.49732       29.17710 9.819806       31.08641 20.27129 8.562924 18.40454 8.270049 1.866745       11.90451 
1 1 1 -28 13 32 o 18.99765 7.639035 20.19847       21.74330 0.8008252      29.40042 43.61609       32.30355 16.97449 7.788312 24.05856 9.426623 -7.084066      12.22780 
1 1 1 -28 13 33 f 16.26097 7.108586 7.448834       21.45817 33.18058       29.52464 -21.36145      31.24092 21.92566 8.871291 14.99934 7.218850 6.926313       11.43729 
1 1 1 -28 13 34 f 16.75121 7.266435 9.577045       22.05774 -13.06845      30.06015 35.99482       32.46746 15.47637 7.346717 22.39800 9.211334 -6.921632      11.78231 
1 1 1 -28 13 35 o 15.22301 7.048047 -4.370600      24.86296 5.010449       30.79949 -21.92000      42.12587 17.58320 8.031358 16.96520 8.218072 0.6179943      11.49084 
1 1 1 -28 13 36 o 26.50978 8.273808 49.79561       23.80288 47.27689       32.95626 52.54239       34.41587 24.38906 9.531562 25.26879 9.778101 -0.8797302     13.65511 
1 1 1 -28 13 37 o 15.30053 7.114061 -4.772227      25.74325 -29.07000      41.51836 10.40365       32.81209 16.27422 7.945170 18.41153 8.363017 -2.137310      11.53541 
1 1 1 -28 13 38 o 19.40667 8.743795 17.11887       35.01429 27.13000       54.70175 10.17000       45.57394 21.53715 10.12855 19.62978 9.235727 1.907372       13.70716 
1 1 1 -28 13 39 o 20.37884 8.485510 27.12926       28.02541 63.74000       52.09973 12.22228       33.24497 24.85864 10.96466 18.55609 8.424472 6.302551       13.82735 
1 1 1 -28 13 40 o 21.12643 8.661269 32.20929       28.59056 -9.941000      51.81066 50.66450       34.28297 18.45617 8.980312 24.21474 9.640847 -5.758560      13.17543 
1 1 1 -28 13 41 o 13.48685 6.408002 -12.03789      22.97019 6.804011       32.27682 -31.37327      32.69677 17.42048 8.053120 14.12449 6.928092 3.295988       10.62314 
1 1 1 -28 13 42 o 15.17771 7.144847 -4.695853      27.33914 -11.88920      33.48652 9.683000       47.34417 15.60044 7.499323 18.83187 9.016849 -3.231437      11.72789 
1 1 1 -28 14 1  o 41.00220 5.556387 91.12408       21.72670 74.55792       29.28704 111.4000       32.40075 34.69009 8.654079 43.40010 7.918766 -8.710014      11.73030 
1 1 1 -28 14 2  o 31.54393 6.520276 56.40521       19.46636 58.29576       28.31154 54.71000       26.80904 30.36914 8.930991 29.59062 8.687744 0.7785225      12.45951 
1 1 1 -28 14 3  o 27.85926 6.902634 44.97193       18.72587 40.02000       47.88800 45.86580       20.34589 26.28843 11.02950 27.87674 7.352199 -1.588312      13.25536 
1 1 1 -28 14 4  o 33.63320 5.274143 61.13638       16.79260 7.737765       27.78707 91.85876       21.07682 18.84495 8.165272 41.30013 5.338479 -22.45518      9.755564 
1 1 1 -28 14 5  o 53.23372 3.861962 145.7714       19.98655 103.7964       31.01350 175.5867       26.13819 41.84442 7.860487 57.82820 4.657094 -15.98378      9.136508 
1 1 1 -28 14 6  o 30.55689 5.825534 51.76435       16.78831 28.09258       26.79622 67.06004       21.53985 22.57998 8.656589 34.31133 6.653738 -11.73134      10.91828 
1 1 1 -28 14 7  o 16.52223 6.522581 11.19472       15.56766 9.182264       25.74972 12.35404       19.54392 18.55901 7.948641 17.78781 7.210231 0.7712059      10.73165 
1 1 1 -28 14 8  o 37.89401 5.020387 77.00563       18.16377 46.41892       29.80122 95.08414       22.91126 26.85627 9.301597 41.60304 5.782312 -14.74677      10.95239 
1 1 1 -28 14 9  o 55.76304 3.906083 160.4848       21.18550 128.4280       33.09704 182.7368       27.57489 46.82587 7.471964 58.72713 4.839913 -11.90126      8.902528 
1 1 1 -28 14 10 o 41.64255 4.769551 92.19646       19.09073 67.95427       30.59864 107.6475       24.42839 32.23003 9.228728 44.25286 5.777408 -12.02283      10.88797 
1 1 1 -28 14 11 f 44.89014 4.552194 106.3233       19.72595 98.85851       31.53368 111.1223       25.28377 40.13555 8.300895 44.84765 5.902818 -4.712101      10.18568 
1 1 1 -28 14 12 o 15.89470 6.644570 7.160376       17.28440 0.8912827      27.77856 11.12083       22.07904 17.58944 7.867263 17.99112 7.514574 -0.4016819     10.87946 
1 1 1 -28 14 13 o 13.17338 6.011570 -6.366482      17.20462 4.224450       27.33302 -13.31602      22.14107 17.94482 7.927310 13.97985 6.532397 3.964974       10.27202 
1 1 1 -28 14 14 f 34.31977 6.164287 66.62089       19.94673 47.76337       30.79301 80.25414       26.18240 26.79972 9.443167 36.55392 7.567045 -9.754200      12.10097 
1 1 1 -28 14 15 o 20.65354 8.098087 22.47879       23.85378 -2.861381      28.69780 79.12000       42.90522 17.18021 7.810553 32.13300 11.15909 -14.95278      13.62094 
1 1 1 -28 14 16 o 15.98077 7.123930 0.1637976      22.57789 2.320987       26.69073 -5.263000      42.33388 17.38425 7.747866 19.61592 9.121306 -2.231668      11.96778 
1 1 1 -28 14 17 o 36.46749 7.125509 78.84000       24.52242 72.91251       28.98165 93.78000       46.01113 33.47462 8.749124 34.26624 11.56574 -0.7916145     14.50219 
1 1 1 -28 14 18 o 22.20521 7.484569 29.69625       19.26863 18.09755       27.49675 40.88768       27.00968 20.08096 8.386623 25.04262 8.842304 -4.961660      12.18695 
1 1 1 -28 14 19 o 21.84510 7.604813 28.60383       19.93250 -10.23318      28.10341 67.91651       28.27500 15.99046 7.434227 32.12143 8.755181 -16.13097      11.48568 
1 1 1 -28 14 20 o 34.46658 6.964252 70.59379       22.68575 101.2000       35.62273 49.71281       29.42374 38.56295 9.500314 26.95446 9.246384 11.60849       13.25713 
1 1 1 -28 14 21 o 20.94854 7.868968 25.51236       21.87033 15.39000       33.20164 33.27093       29.06764 20.29575 8.857975 23.07126 8.970097 -2.775503      12.60660 
1 1 1 -28 14 22 o 14.09903 6.436076 -5.058270      19.74091 30.14939       27.40368 -43.03821      28.46213 22.20801 8.687970 12.97810 6.385330 9.229909       10.78208 
1 1 1 -28 14 23 o 14.21259 6.461895 -4.026665      19.64756 -0.8561617E-01 27.10742 -8.388512      28.51790 16.84117 7.630510 16.12958 7.495483 0.7115898      10.69612 
1 1 1 -28 14 24 o 39.65611 5.801087 89.33593       21.85174 65.98751       29.55810 117.4766       32.45002 30.62568 9.155726 43.09085 7.987551 -12.46517      12.15024 
1 1 1 -28 14 25 o 30.97800 7.013761 58.64601       20.77078 73.49391       28.25168 41.17888       30.64239 33.03358 8.640385 24.34525 9.275760 8.688328       12.67659 
1 1 1 -28 14 26 o 21.37145 7.573486 28.55217       19.82910 16.61726       26.60712 43.46177       29.73865 19.14204 8.135403 24.69923 9.196546 -5.557184      12.27849 
1 1 1 -28 14 27 o 23.31485 7.689619 35.49688       20.35897 22.04474       27.23528 52.53384       30.65014 20.08378 8.364036 26.49411 9.413190 -6.410324      12.59227 
1 1 1 -28 14 28 o 31.66363 7.125031 62.87061       21.54748 44.25170       29.64579 83.72224       31.37298 24.52539 9.172149 34.04584 9.198352 -9.520451      12.98992 
1 1 1 -28 14 29 o 22.21991 7.837228 32.70664       21.21404 38.78169       29.31854 26.03089       30.73385 23.25255 9.017571 20.84232 8.795452 2.410234       12.59669 
1 1 1 -28 14 30 o 15.39187 6.827018 3.524230       20.47244 -2.548598      27.93212 10.57318       30.09335 16.24334 7.502779 18.34278 8.197467 -2.099440      11.11261 
1 1 1 -28 14 31 f 13.31429 6.247554 -10.67659      20.61204 -38.79121      28.44963 20.38684       29.90441 12.99845 6.393093 19.81408 8.527260 -6.815631      10.65766 
1 1 1 -28 14 32 o 22.09252 7.941874 32.93201       21.88288 45.59187       30.99540 20.35081       30.89896 24.36465 9.317829 19.76925 8.587768 4.595394       12.67169 
1 1 1 -28 14 33 o 16.13447 7.118143 6.146774       21.96853 9.848359       30.57764 2.197746       31.58314 18.21571 8.192236 17.41707 8.020897 0.7986374      11.46506 
1 1 1 -28 14 34 o 16.49173 7.442612 4.056614       25.48834 12.38691       31.28753 -12.38000      43.94883 18.58680 8.328680 17.89034 8.597843 0.6964512      11.97037 
1 1 1 -28 14 35 o 12.96427 6.202953 -17.49907      22.31841 5.162546       31.20647 -41.22674      31.93205 17.62486 8.063204 13.61839 6.712518 4.006472       10.49158 
1 1 1 -28 14 36 o 22.96869 9.369358 40.26903       33.24870 0.000000       0.000000 40.26903       33.24870 ?        ?        22.96869 9.369358 ?              ?        
1 1 1 -28 14 37 o 15.37836 7.143246 -3.977395      25.85666 -12.67998      32.06934 12.19000       43.71051 15.76557 7.513524 19.64279 9.178487 -3.877225      11.86160 
1 1 1 -28 14 38 o 14.88200 6.942011 -6.027622      24.83081 -25.57000      38.93666 7.367929       32.23668 16.00134 7.785668 17.88402 8.186826 -1.882681      11.29782 
1 1 1 -28 14 39 o 16.41546 7.758759 -5.598107      32.83748 73.85000       51.19296 -61.14000      42.80346 25.76038 11.12216 14.54616 7.269284 11.21422       13.28702 
1 1 1 -28 14 40 o 16.87666 7.716936 6.114783       28.53535 -20.44000      54.70411 16.04129       33.44621 17.98248 8.848475 18.70730 8.475955 -0.7248173     12.25305 
1 1 1 -28 14 41 f 20.46460 8.582605 31.00287       28.97904 3.010000       53.69833 42.50538       34.42178 18.90471 9.185727 22.19783 9.334471 -3.293121      13.09618 
1 1 1 -28 14 42 o 21.76903 8.260163 36.68176       24.23807 40.33023       33.97571 32.90059       34.58810 21.67231 9.201275 20.54416 9.001923 1.128155       12.87238 
1 1 1 -28 15 1  o 23.46387 7.828531 32.78026       21.08547 25.39000       34.20463 37.31000       26.77882 22.67785 9.402755 24.66150 8.794796 -1.983654      12.87479 
1 1 1 -28 15 2  o 73.70650 4.130713 281.5019       29.68218 260.8718       39.00082 309.9000       45.75817 69.10023 5.820233 74.66019 6.320766 -5.559952      8.592276 
1 1 1 -28 15 3  o 47.37946 4.039922 116.4539       18.55712 81.77551       30.12269 137.6650       23.55843 36.14308 8.633369 50.98380 4.776325 -14.84071      9.866527 
1 1 1 -28 15 4  o 41.30791 4.496167 89.89842       17.88649 36.11640       28.90920 123.2559       22.76742 24.38349 9.069628 48.12167 4.901924 -23.73818      10.30956 
1 1 1 -28 15 5  o 21.83649 6.867465 27.54298       16.36709 8.069528       26.80221 39.12310       20.66835 18.53147 8.024377 25.44099 7.667641 -6.909527      11.09880 
1 1 1 -28 15 6  o 34.94128 5.359634 66.51511       17.74664 49.28061       28.64173 77.25478       22.60972 27.57430 9.121762 36.87582 6.501434 -9.301523      11.20157 
1 1 1 -28 15 7  o 50.15046 4.138710 130.9109       20.13568 108.6065       32.33288 145.0417       25.73540 42.31877 8.100532 52.00299 5.122302 -9.684219      9.584185 
1 1 1 -28 15 8  o 48.45521 4.274600 122.7565       20.06645 115.6733       32.26245 127.2255       25.62645 44.02969 7.769866 48.34743 5.513559 -4.317734      9.527338 
1 1 1 -28 15 9  o 32.10659 6.105597 58.08422       18.48691 53.11272       30.80431 60.88273       23.11167 28.26158 9.462865 31.82871 7.535732 -3.567129      12.09682 
1 1 1 -28 15 10 o 17.84872 6.936669 14.87091       17.37703 18.72126       29.46900 12.81842       21.51574 20.75524 8.676227 18.19875 7.492929 2.556486       11.46390 
1 1 1 -28 15 11 o 23.38394 7.210894 32.55183       18.14146 4.311898       29.79691 49.18578       22.86847 18.48373 8.215207 28.16356 7.949873 -9.679831      11.43198 
1 1 1 -28 15 12 o 16.04673 6.737749 7.319806       17.89233 -48.83015      29.42497 40.26065       22.53765 13.04388 6.432059 25.41593 8.067175 -12.37205      10.31749 
1 1 1 -28 15 13 o 30.99152 6.714118 56.09998       19.77762 61.00587       30.50368 52.54186       25.97784 30.03430 9.365115 28.50494 8.597418 1.529358       12.71302 
1 1 1 -28 15 14 o 14.72076 6.788633 -8.575010      22.73629 -7.868719      27.84155 -9.989000      39.39347 16.28243 7.510039 18.62615 8.706716 -2.343721      11.49816 
1 1 1 -28 15 15 o 22.71589 8.189365 31.29673       23.28748 21.82857       27.73572 53.92000       42.87303 20.88882 8.543525 27.23076 10.80079 -6.341938      13.77131 
1 1 1 -28 15 16 o 25.73499 7.531321 40.87405       20.17504 18.89545       29.78591 59.50503       27.42387 20.56246 8.667046 30.02595 8.778909 -9.463482      12.33641 
1 1 1 -28 15 17 o 55.04578 4.766445 162.2017       25.42894 137.4000       41.99658 176.5584       31.95211 44.89141 9.830428 56.21403 5.894518 -11.32262      11.46223 
1 1 1 -28 15 18 o 28.44508 7.757447 50.72675       22.19061 24.34000       34.80649 68.79656       28.80343 21.93826 9.313594 32.16814 8.864374 -10.22988      12.85769 
1 1 1 -28 15 19 o 18.40438 7.532223 14.96547       21.57539 24.34000       33.85905 8.556928       27.99495 21.77196 9.211954 18.43524 8.087642 3.336725       12.25847 
1 1 1 -28 15 20 o 14.05294 6.402285 -4.832325      19.41008 -13.50670      26.86874 4.635481       28.07067 15.18301 7.127152 17.80174 7.939022 -2.618731      10.66885 
1 1 1 -28 15 21 o 19.21682 7.444268 19.88876       19.96391 25.23629       27.41205 13.84874       29.13292 21.15332 8.551895 19.31517 8.364861 1.838152       11.96268 
1 1 1 -28 15 22 o 28.26702 7.468196 50.15194       20.96942 41.68826       28.93328 59.51643       30.43407 24.68987 9.093413 28.85674 9.395121 -4.166866      13.07511 
1 1 1 -28 15 23 o 38.09150 6.033529 83.50020       21.74729 80.38493       30.00020 86.95011       31.57046 34.35636 8.862657 35.57162 9.047493 -1.215260      12.66506 
1 1 1 -28 15 24 o 18.46890 7.358810 17.38231       19.98885 21.22143       27.26179 12.91867       29.39567 20.17720 8.382632 19.04299 8.322535 1.134207       11.81241 
1 1 1 -28 15 25 o 13.44158 6.245235 -8.676270      19.78401 -2.616953      26.99816 -15.70354      29.07472 16.27016 7.464481 15.28452 7.246799 0.9856453      10.40359 
1 1 1 -28 15 26 o 20.47936 7.619450 25.81809       20.40604 2.733096       27.56526 53.80791       30.35269 17.01483 7.703384 26.81553 9.381123 -9.800701      12.13868 
1 1 1 -28 15 27 o 18.50504 7.433851 18.37828       20.57003 7.335968       28.54284 30.31056       29.67076 17.73542 7.950483 21.62350 8.839388 -3.888077      11.88886 
1 1 1 -28 15 28 o 20.36679 7.713674 25.93457       21.11343 4.187358       29.05152 50.27928       30.73755 17.34548 7.875007 25.63416 9.384048 -8.288687      12.25056 
1 1 1 -28 15 29 o 22.06899 7.837247 32.44017       21.24416 37.38903       29.43587 27.06029       30.69097 22.85369 8.985299 20.92345 8.807252 1.930235       12.58186 
1 1 1 -28 15 30 o 16.21100 7.056417 7.448912       20.95069 8.669979       29.10740 6.136268       30.17916 17.92991 8.033880 17.76228 8.049206 0.1676235      11.37246 
1 1 1 -28 15 31 o 16.57592 7.135112 9.711828       20.94523 41.20271       29.40276 -22.73181      29.84423 23.56387 9.059139 14.55489 7.017710 9.008977       11.45933 
1 1 1 -28 15 32 o 11.84642 5.747244 -23.92432      20.80709 -34.85509      28.90760 -12.17329      29.97262 13.33874 6.536824 15.54006 7.364995 -2.201318      9.847498 
1 1 1 -28 15 33 o 15.21906 7.045321 -4.154255      24.83197 14.31329       30.77385 -38.62000      42.04081 18.76732 8.344582 15.85031 7.790945 2.917011       11.41625 
1 1 1 -28 15 34 o 15.22545 7.085982 -5.557903      25.63693 -1.165036      30.69544 -15.69000      46.61755 16.78765 7.792759 17.96890 8.690022 -1.181255      11.67234 
1 1 1 -28 15 35 f 22.76745 9.305187 39.08176       32.87222 0.000000       0.000000 39.08176       32.87222 ?        ?        22.76745 9.305187 ?              ?        
1 1 1 -28 15 36 o 22.95579 8.135933 37.47584       22.88430 -10.20376      31.66263 89.62240       33.11261 15.91092 7.549227 33.87620 9.567478 -17.96528      12.18718 
1 1 1 -28 15 37 o 13.20597 6.290944 -14.85922      22.43193 -25.32989      31.94258 -4.670923      31.50894 14.64944 7.110351 16.41521 7.709520 -1.765769      10.48779 
1 1 1 -28 15 38 o 18.37399 7.681037 18.86269       23.09740 38.50067       33.01950 0.4676039E-01  32.32102 22.23275 9.230085 16.92760 7.904120 5.305151       12.15194 
1 1 1 -28 15 39 o 18.78974 7.822229 21.31706       23.80833 67.18350       34.83959 -18.86895      32.61092 27.23419 9.987226 15.10953 7.297659 12.12466       12.36934 
1 1 1 -28 15 40 o 27.46446 9.384472 64.28420       30.30215 -38.76000      55.50000 108.0474       36.16892 17.02060 8.469357 35.79384 9.960135 -18.77324      13.07418 
1 1 1 -28 15 41 o 13.15819 6.445392 -28.36304      28.00665 -36.03000      52.86135 -25.37105      33.02227 16.68789 8.297463 14.45176 7.061978 2.236121       10.89584 
1 1 1 -28 16 1  o 37.27570 4.961539 74.61169       17.65376 36.06393       28.02939 99.95733       22.72824 24.26366 8.947843 42.75964 5.562006 -18.49598      10.53564 
1 1 1 -28 16 2  o 33.77956 5.863021 63.52216       18.68299 6.366000       34.63876 86.97167       22.18696 19.79653 8.824465 39.59674 5.904664 -19.80021      10.61773 
1 1 1 -28 16 3  o 46.72329 5.050901 117.0916       22.73304 114.7853       30.93336 119.8000       33.52108 44.17559 7.416389 44.58121 7.974520 -0.4056168     10.89017 
1 1 1 -28 16 4  o 63.36674 4.338202 209.9632       26.74542 181.0982       35.04956 250.2000       41.38169 56.74083 6.423599 66.77165 6.410196 -10.03083      9.074868 
1 1 1 -28 16 5  o 26.44834 6.559494 40.63411       16.89812 59.13174       27.94920 29.97670       21.21471 30.20425 8.871280 22.52161 7.845272 7.682648       11.84263 
1 1 1 -28 16 6  o 20.05650 7.046111 22.44682       17.13498 65.47674       29.14410 -0.2854210     21.18295 31.68521 8.985151 15.57793 6.925027 16.10728       11.34412 
1 1 1 -28 16 7  o 29.22669 6.546521 49.44108       18.26215 29.79667       29.64846 61.45065       23.18177 22.86169 9.008753 31.90385 7.542924 -9.042154      11.74961 
1 1 1 -28 16 8  o 27.80958 6.750772 45.34972       18.18878 57.29582       30.14156 38.50832       22.80998 29.24913 9.334538 24.90353 8.135349 4.345600       12.38214 
1 1 1 -28 16 9  o 17.86454 6.961740 15.00187       17.54041 33.19949       29.52426 5.075212       21.80585 23.48584 9.065056 16.66008 7.225875 6.825764       11.59261 
1 1 1 -28 16 10 o 33.74836 5.996350 64.17291       19.08251 39.02858       31.35726 78.96144       24.04809 24.72856 9.392436 36.73615 6.942077 -12.00759      11.67948 
1 1 1 -28 16 11 o 15.22233 6.566845 3.815703       17.81715 -3.604852      30.06428 7.832794       22.12017 17.36546 7.933053 17.20568 7.368058 0.1597767      10.82689 
1 1 1 -28 16 12 o 14.90603 6.864436 -8.061137      23.13141 -19.95851      29.55149 10.76000       37.16864 15.39494 7.301147 20.50117 9.139642 -5.106227      11.69785 
1 1 1 -28 16 13 o 16.81345 7.355961 4.634820       23.01777 -2.737735      29.10319 16.95000       37.61422 17.21088 7.840436 21.33230 9.366160 -4.121420      12.21464 
1 1 1 -28 16 14 f 13.90310 6.515882 -13.47296      22.30403 -6.529905      27.21056 -27.69000      38.93741 16.22797 7.462990 16.92374 8.122750 -0.6957664     11.03065 
1 1 1 -28 16 15 o 12.06032 5.726294 -16.37156      18.28093 -44.64024      26.67760 8.653957       25.10068 12.40601 6.118830 17.92660 7.763967 -5.520586      9.885305 
1 1 1 -28 16 16 o 17.67701 7.246861 12.88013       20.01434 -19.27261      29.59165 39.98973       27.17200 15.38706 7.299941 24.72441 8.854378 -9.337348      11.47559 
1 1 1 -28 16 17 o 45.39674 5.673268 114.8005       24.66068 86.27000       39.76390 132.6325       31.43645 33.63724 10.71998 47.44675 6.977128 -13.80951      12.79056 
1 1 1 -28 16 18 o 13.26175 6.243709 -14.18922      20.88958 -1.632000      32.50783 -23.02189      27.26385 17.91411 8.208305 14.32020 6.852826 3.593911       10.69287 
1 1 1 -28 16 19 o 20.57675 7.640250 24.77865       20.49809 24.81685       29.38589 24.74245       28.60713 21.26898 8.756861 21.18650 8.672313 0.8248329E-01  12.32443 
1 1 1 -28 16 20 o 20.60329 7.617952 25.07343       20.33979 34.50746       28.57413 15.38330       28.95935 23.10772 8.918295 19.50804 8.393448 3.599680       12.24688 
1 1 1 -28 16 21 o 49.81838 4.845352 134.7568       23.32954 128.2794       32.52146 141.6240       33.48557 45.64652 7.541891 48.26751 7.316656 -2.620987      10.50779 
1 1 1 -28 16 22 o 20.89526 7.632188 26.58935       20.31523 40.03778       27.87417 11.35223       29.66999 24.17266 8.921492 18.83631 8.292682 5.336351       12.18038 
1 1 1 -28 16 23 o 13.53516 6.267147 -8.010883      19.66519 -5.495185      26.78662 -10.95182      28.96218 15.92093 7.351538 15.81630 7.416522 0.1046295      10.44270 
1 1 1 -28 16 24 o 23.89052 7.770477 37.33712       20.82131 37.19192       28.68204 37.49887       30.27397 23.28593 8.948675 23.31508 9.128530 -0.2915192E-01 12.78315 
1 1 1 -28 16 25 o 20.59229 7.676805 26.31915       20.73446 21.12943       28.36212 32.27696       30.38855 19.97120 8.439641 22.12562 8.982645 -2.154421      12.32540 
1 1 1 -28 16 26 o 46.87624 5.138917 122.7275       23.19323 79.56506       32.01838 170.3790       33.64220 32.62587 9.470681 53.29805 6.588775 -20.67218      11.53715 
1 1 1 -28 16 27 o 16.64280 7.120330 10.01590       20.62238 -6.055491      28.56260 27.51704       29.80602 15.97799 7.450650 21.01266 8.750295 -5.034668      11.49260 
1 1 1 -28 16 28 o 42.18168 5.844478 103.5255       23.48350 48.47774       32.51694 163.5350       33.95080 24.88747 9.537293 51.60276 6.893883 -26.71528      11.76799 
1 1 1 -28 16 29 o 24.41535 7.964948 40.71082       21.86809 23.72075       30.77015 58.04986       31.08455 20.38109 8.708043 27.28670 9.496999 -6.905607      12.88499 
1 1 1 -28 16 30 o 38.39159 6.372012 88.61057       23.10611 83.04326       33.08167 93.91355       32.28677 32.74858 9.660293 35.90483 9.158856 -3.156242      13.31187 
1 1 1 -28 16 31 o 19.63356 7.756415 23.51169       22.02868 18.66230       30.98781 28.46604       31.32139 19.46292 8.524551 21.03783 8.878604 -1.574913      12.30844 
1 1 1 -28 16 32 o 21.14980 8.326213 30.07917       25.30469 41.63469       31.77953 10.06000       41.82883 23.32841 9.284072 19.45923 9.054635 3.869179       12.96844 
1 1 1 -28 16 33 o 18.21323 7.899828 14.72039       26.06530 24.13968       31.57307 -5.438000      46.18868 20.26527 8.742021 18.62316 8.914019 1.642111       12.48530 
1 1 1 -28 16 34 o 36.50495 9.475036 100.6945       34.14743 0.000000       0.000000 100.6945       34.14743 ?        ?        36.50495 9.475036 ?              ?        
1 1 1 -28 16 35 o 19.95912 7.870627 25.64034       22.64483 49.12680       31.90996 1.813236       32.14054 24.57087 9.439744 17.22941 7.989635 7.341465       12.36701 
1 1 1 -28 16 36 o 16.98937 7.312738 12.04934       21.99908 31.65873       31.03130 -7.763813      31.19212 21.22905 8.890789 16.01498 7.567190 5.214067       11.67512 
1 1 1 -28 16 37 o 27.87239 8.074426 55.11630       23.29494 97.66234       33.08763 13.30095       32.80227 35.70692 9.356077 18.56153 8.403526 17.14539       12.57599 
1 1 1 -28 16 38 o 15.82419 7.080809 5.690341       22.52870 -50.59046      31.63275 63.62088       32.09302 12.76126 6.357084 27.20467 9.635496 -14.44341      11.54363 
1 1 1 -28 16 39 o 28.29052 8.200551 58.99435       24.02169 27.31763       34.15199 90.01124       33.79442 20.06756 8.863275 32.57118 9.801980 -12.50363      13.21501 
1 1 1 -28 16 40 f 19.07876 8.272706 23.73908       28.56609 21.28000       55.97490 24.60507       33.21738 19.93524 9.611615 19.38804 8.642000 0.5472012      12.92545 
1 1 1 -28 16 41 o 19.27947 8.817416 24.18077       37.27906 0.3285000      54.10424 45.74000       51.43788 18.37436 8.991655 21.39350 9.983434 -3.019142      13.43573 
1 1 1 -28 17 1  o 49.07946 5.017080 129.4901       23.76349 78.89831       30.74201 204.6000       37.45768 34.80927 8.967482 60.10227 6.468864 -25.29301      11.05721 
1 1 1 -28 17 2  o 46.54662 4.344322 113.9927       19.56461 81.53329       30.67276 136.2572       25.40329 35.53542 8.851560 50.14191 5.253776 -14.60649      10.29331 
1 1 1 -28 17 3  o 32.86842 5.708819 60.17802       17.70067 39.27705       27.93828 74.19362       22.87822 24.82872 8.967430 35.72533 6.790593 -10.89661      11.24842 
1 1 1 -28 17 4  o 30.58133 6.499571 54.09672       18.85548 36.59000       34.83864 61.34927       22.42353 24.33972 9.709391 31.97516 7.322470 -7.635447      12.16104 
1 1 1 -28 17 5  o 47.02892 5.490997 121.1494       24.80171 88.21786       33.11877 163.2000       37.42439 36.52776 9.253711 52.41024 7.509414 -15.88248      11.91732 
1 1 1 -28 17 6  o 19.07171 7.150443 19.15655       18.04055 10.53643       30.01073 24.03416       22.57477 19.34599 8.432885 20.86801 7.959011 -1.522013      11.59566 
1 1 1 -28 17 7  o 19.59639 7.129724 21.14004       17.70338 44.97170       30.03016 8.446192       21.91680 26.01713 9.309457 17.27572 7.364312 8.741405       11.87009 
1 1 1 -28 17 8  o 31.13248 6.336648 55.83054       18.65246 58.39183       31.37374 54.43030       23.19734 29.08399 9.543440 29.51959 7.880728 -0.4356079     12.37672 
1 1 1 -28 17 9  o 32.69269 6.161583 60.94991       18.99435 42.96912       31.56804 71.15385       23.78082 25.44265 9.474833 34.45570 7.279553 -9.013048      11.94840 
1 1 1 -28 17 10 o 27.16995 7.141948 44.58582       19.24019 14.73591       30.62852 64.04272       24.72813 20.01820 8.622644 32.03909 7.928528 -12.02089      11.71373 
1 1 1 -28 17 11 o 15.14633 6.912333 -5.272004      22.75117 6.499127       29.74397 -21.87000      35.31976 18.58070 8.235847 16.60890 7.906900 1.971800       11.41702 
1 1 1 -28 17 12 o 13.01780 6.202456 -19.45940      21.82602 -19.79523      27.26308 -18.86000      36.42293 14.70764 6.986058 17.08578 8.103806 -2.378145      10.69938 
1 1 1 -28 17 13 o 14.41416 6.698923 -10.43448      22.78662 -14.08469      28.61407 -4.107000      37.67350 15.66749 7.354708 18.72918 8.672911 -3.061681      11.37150 
1 1 1 -28 17 14 o 23.27327 7.425957 33.23851       19.07664 18.45803       28.97132 44.55250       25.34730 20.26395 8.544819 26.03756 8.579767 -5.773609      12.10894 
1 1 1 -28 17 15 o 11.73288 5.627285 -20.03567      18.61253 -22.11969      28.03286 -18.39268      24.89060 14.65159 6.994301 14.10521 6.692741 0.5463848      9.680549 
1 1 1 -28 17 16 o 17.96820 7.444659 13.26913       21.42047 44.64000       34.14221 -7.094460      27.50779 25.34639 9.757441 16.11427 7.444017 9.232124       12.27278 
1 1 1 -28 17 17 o 42.77404 6.031608 104.1617       24.55318 95.01000       40.26158 109.5807       30.98102 35.13244 10.72543 41.99902 7.823967 -6.866585      13.27589 
1 1 1 -28 17 18 o 22.95551 7.751987 33.26611       20.67011 55.31771       29.18463 11.07090       29.27951 28.02067 9.205005 18.86820 8.274539 9.152475       12.37740 
1 1 1 -28 17 19 o 44.73570 5.204062 110.3366       22.36293 75.02525       30.65265 150.5183       32.69830 32.83558 9.181115 50.45869 6.792764 -17.62311      11.42079 
1 1 1 -28 17 20 o 15.09049 6.705879 1.300887       19.84503 -29.54394      27.11715 36.87032       29.12000 13.55053 6.570959 23.44365 9.014815 -9.893120      11.15547 
1 1 1 -28 17 21 o 16.35847 6.993692 8.115115       19.86962 16.99317       27.45542 -1.648369      28.79198 19.39646 8.254542 16.86634 7.726993 2.530119       11.30681 
1 1 1 -28 17 22 o 17.29963 7.207030 12.39575       20.23156 28.14205       28.14092 -4.450259      29.10702 21.48789 8.672816 16.55139 7.649982 4.936497       11.56460 
1 1 1 -28 17 23 o 12.36904 5.896604 -16.83565      19.78280 -25.81734      27.34839 -6.977798      28.65126 13.83201 6.681203 16.06311 7.480927 -2.231102      10.03009 
1 1 1 -28 17 24 f 30.32156 7.332560 58.57988       21.52185 51.63806       29.64128 66.32002       31.29933 26.26358 9.263968 29.54538 9.520438 -3.281803      13.28382 
1 1 1 -28 17 25 o 35.52973 6.671433 76.79543       22.34975 43.14419       30.85667 113.9327       32.41556 24.09198 9.275681 41.33149 8.301011 -17.23950      12.44769 
1 1 1 -28 17 26 o 17.54172 7.291289 14.45764       20.63975 15.33671       28.96952 13.55141       29.41357 18.86868 8.253815 18.65560 8.233171 0.2130795      11.65807 
1 1 1 -28 17 27 o 21.05120 7.779078 28.89699       21.20393 35.77484       29.43871 21.48190       30.56687 22.46568 8.937284 19.94434 8.602572 2.521339       12.40481 
1 1 1 -28 17 28 o 30.88602 7.447829 61.81332       22.25271 28.75097       30.64477 98.69371       32.36587 21.19433 8.852810 37.25791 8.980819 -16.06357      12.61060 
1 1 1 -28 17 29 o 19.33749 7.627842 22.38279       21.27519 37.68226       30.20453 7.317831       29.97215 22.74239 9.051012 17.76242 8.038163 4.979969       12.10508 
1 1 1 -28 17 30 o 24.82475 8.591723 44.98845       25.42412 58.47359       32.02435 22.00000       41.81262 26.91689 9.615623 20.71970 9.422869 6.197187       13.46294 
1 1 1 -28 17 31 o 20.74465 8.232059 28.34691       24.91640 24.71231       31.30430 34.63000       41.15875 20.32453 8.735462 22.08081 9.742248 -1.756289      13.08509 
1 1 1 -28 17 32 o 17.16511 7.650250 8.311150       26.02286 -2.749796      31.46976 32.23000       46.27724 16.72515 7.806202 21.90816 9.943610 -5.183016      12.64168 
1 1 1 -28 17 33 o 21.41684 8.331006 31.55865       25.08299 -10.20000      40.43834 57.67202       31.97801 17.45752 8.351935 26.56918 9.594162 -9.111660      12.72017 
1 1 1 -28 17 34 o 15.59169 6.986609 3.820030       22.01689 12.03298       30.87587 -4.676292      31.40402 18.28505 8.227019 16.40364 7.701742 1.881416       11.26946 
1 1 1 -28 17 35 o 23.85102 8.103590 40.81900       22.58979 34.04441       31.89993 47.63356       31.99386 21.61587 9.030836 24.14161 9.403847 -2.525747      13.03796 
1 1 1 -28 17 36 o 13.58288 6.389955 -9.741446      21.80464 -37.94221      30.82384 18.50536       30.84899 13.43719 6.617770 19.08851 8.427627 -5.651321      10.71540 
1 1 1 -28 17 37 o 17.75400 7.525460 16.47957       22.66436 26.61843       32.28794 6.631463       31.82162 20.15284 8.766280 17.46951 8.047243 2.683329       11.89982 
1 1 1 -28 17 38 o 18.08439 7.588322 18.81616       22.67177 34.46318       32.49116 3.968071       31.65080 21.16218 8.991867 16.99622 7.897620 4.165962       11.96771 
1 1 1 -28 17 39 o 16.04707 7.175984 8.039820       23.09913 11.07848       33.13792 5.167924       32.21579 17.76128 8.192550 17.00517 7.924009 0.7561111      11.39771 
1 1 1 -28 17 40 o 21.00208 8.160920 33.75689       24.04916 -0.2908892     34.82858 64.78407       33.24777 16.68783 7.917791 26.18526 9.728971 -9.497435      12.54370 
1 1 1 -28 18 1  o 42.26151 4.652049 95.35969       18.92608 66.43178       29.25979 116.1692       24.81669 31.58522 9.018298 45.82222 5.652714 -14.23700      10.64344 
1 1 1 -28 18 2  o 27.56689 6.589277 44.61449       17.53787 22.52713       28.36924 58.27713       22.31223 21.07815 8.633012 30.92611 7.457965 -9.847965      11.40834 
1 1 1 -28 18 3  o 27.38175 7.846454 46.93305       22.11085 80.51646       31.26489 13.33000       31.27403 34.86362 9.074953 19.90872 8.644112 14.95490       12.53297 
1 1 1 -28 18 4  o 56.20714 4.032466 164.7899       22.03804 94.21225       34.86146 211.7686       28.44214 37.31021 9.516869 63.13792 4.634493 -25.82771      10.58533 
1 1 1 -28 18 5  o 31.34106 6.379332 56.75851       18.90395 -14.31579      32.99350 91.49406       23.06531 16.79649 7.888735 40.28244 6.035357 -23.48595      9.932656 
1 1 1 -28 18 6  o 34.42184 5.983696 67.03269       19.42945 5.984599       34.39063 95.65357       23.54754 19.37491 8.702899 41.20234 6.016109 -21.82743      10.57989 
1 1 1 -28 18 7  o 27.60678 8.163339 48.72591       23.59978 31.71831       31.93120 69.20000       35.03451 23.06383 9.263102 30.96154 10.08022 -7.897713      13.68999 
1 1 1 -28 18 8  o 12.82622 5.938426 -9.041230      17.65122 9.799959       29.99396 -19.02346      21.83199 19.08153 8.371288 13.07186 6.221186 6.009666       10.42984 
1 1 1 -28 18 9  o 17.38278 7.489233 8.121301       23.11626 -8.388988      30.52235 30.33000       35.39991 16.77729 7.782028 22.94412 9.543860 -6.166832      12.31443 
1 1 1 -28 18 10 o 21.44482 8.144223 26.84802       23.57486 16.38189       30.42619 42.57000       37.29136 20.12488 8.630226 25.07502 10.03105 -4.950146      13.23264 
1 1 1 -28 18 11 f 17.71478 7.532987 10.32590       22.83436 22.49438       28.99078 -9.560000      37.06076 20.98662 8.674838 18.03498 8.435140 2.951641       12.09977 
1 1 1 -28 18 12 o 21.32637 7.416182 27.15506       18.95331 18.99151       29.07279 33.18917       24.99504 20.33578 8.566591 23.01608 8.456170 -2.680292      12.03716 
1 1 1 -28 18 13 o 16.52322 6.893791 9.472131       18.55129 -2.657199      28.71104 18.16548       24.30659 16.97409 7.753575 19.49055 7.987814 -2.516459      11.13208 
1 1 1 -28 18 14 o 15.51800 6.805441 3.033876       19.80636 -20.35000      33.96175 15.08643       24.38211 16.27343 7.748945 18.84617 7.886041 -2.572748      11.05603 
1 1 1 -28 18 15 o 19.68650 7.594179 21.35437       20.71179 14.69000       34.53561 25.09766       25.88301 20.23583 8.926310 21.02178 8.374501 -0.7859497     12.23974 
1 1 1 -28 18 16 o 38.13222 6.028953 83.33325       21.75575 62.89675       32.70885 99.54775       29.13491 29.23744 9.750275 39.96849 7.726701 -10.73106      12.44065 
1 1 1 -28 18 17 o 33.52764 6.751181 67.14409       21.38861 51.54519       30.62803 81.99222       29.88188 26.80578 9.420103 34.96583 8.752176 -8.160051      12.85842 
1 1 1 -28 18 18 o 25.41415 7.752047 41.71952       21.03848 -10.92466      29.01269 100.1012       30.55281 15.86744 7.434888 39.41382 8.187337 -23.54637      11.05939 
1 1 1 -28 18 19 o 25.43351 7.710310 41.90366       20.85588 16.21015       28.87609 69.92310       30.15480 19.43668 8.372250 31.33263 9.217889 -11.89596      12.45247 
1 1 1 -28 18 20 o 17.62513 7.250196 13.89450       20.12049 37.95187       27.81474 -12.51161      29.14091 23.61540 8.873437 15.67155 7.377073 7.943855       11.53946 
1 1 1 -28 18 21 o 13.49778 6.256230 -7.858066      19.67189 -18.08548      26.99933 3.715211       28.72092 14.47841 6.898404 17.42878 7.879682 -2.950364      10.47270 
1 1 1 -28 18 22 o 48.97432 4.964903 132.3520       23.47196 117.8703       32.70717 147.7299       33.70400 42.44072 8.169703 48.85133 7.269708 -6.410606      10.93584 
1 1 1 -28 18 23 o 13.11011 6.150442 -10.73092      19.95806 -22.47190      27.33473 2.674674       29.20824 14.02894 6.751987 17.19668 7.841908 -3.167737      10.34818 
1 1 1 -28 18 24 o 19.14274 7.579846 21.09591       21.08149 33.50572       29.17883 7.544015       30.49196 22.13985 8.867601 18.01674 8.134744 4.123116       12.03364 
1 1 1 -28 18 25 o 34.35427 7.019291 73.87065       22.80547 59.60948       32.19285 88.23677       32.31109 27.34751 9.653748 34.49557 9.341269 -7.148062      13.43332 
1 1 1 -28 18 26 o 26.98851 7.743889 48.99878       21.52305 70.76534       30.62443 27.75377       30.25530 30.46765 9.364137 20.94385 8.775645 9.523804       12.83351 
1 1 1 -28 18 27 o 18.99804 7.555804 20.82259       21.03578 11.41654       29.65049 30.35480       29.84867 18.33147 8.168342 21.42460 8.823712 -3.093124      12.02413 
1 1 1 -28 18 28 o 15.85814 7.001332 5.643424       21.29024 26.27299       30.04997 -15.14891      30.16828 20.58745 8.692945 15.26724 7.279208 5.320215       11.33817 
1 1 1 -28 18 29 o 22.05898 8.404202 33.98139       25.15368 30.46680       30.91903 40.86000       43.25522 21.30421 8.895047 22.92787 10.05602 -1.623661      13.42555 
1 1 1 -28 18 30 o 15.20524 7.003474 -2.589334      24.09309 -5.134619      30.64977 1.527000       38.97753 16.30410 7.640222 18.27754 8.581171 -1.973434      11.48954 
1 1 1 -28 18 31 o 21.56013 8.051837 31.79814       22.82979 57.23185       33.28698 9.208700       31.37056 26.23791 9.737317 18.08521 8.199924 8.152702       12.73005 
1 1 1 -28 18 32 o 21.84813 8.298724 33.43146       24.48021 13.41000       38.81454 46.65601       31.54548 19.39292 8.916620 24.21268 9.363614 -4.819761      12.92994 
1 1 1 -28 18 33 o 22.56298 7.972905 35.73748       21.96281 46.82897       31.35826 25.05801       30.77030 24.12959 9.334625 20.16342 8.663346 3.966179       12.73534 
1 1 1 -28 18 34 o 19.98451 7.783652 26.15185       21.91711 39.45525       30.99159 12.84179       30.99937 22.58936 9.107132 18.32071 8.243226 4.268646       12.28375 
1 1 1 -28 18 35 o 22.12835 7.982998 34.57399       22.13316 21.81192       30.66180 48.45868       31.98196 19.54610 8.521928 24.24464 9.413850 -4.698542      12.69818 
1 1 1 -28 18 36 o 22.07933 7.984346 35.11782       22.15701 45.75690       31.67608 24.92528       31.00422 23.44832 9.289189 19.83038 8.608443 3.617941       12.66469 
1 1 1 -28 18 37 o 25.74326 8.191889 49.42733       23.22747 53.43787       32.73523 45.36073       32.96316 24.56840 9.528352 22.99755 9.348487 1.570848       13.34855 
1 1 1 -28 18 38 f 16.16291 7.203838 8.729599       23.07656 -16.68417      32.99911 33.05238       32.28303 15.11813 7.311348 20.66407 8.876030 -5.545940      11.49955 
1 1 1 -28 18 39 o 12.60898 6.084601 -17.92282      22.54952 -10.49438      32.70085 -24.65746      31.13632 15.49917 7.440284 14.08187 6.876067 1.417295       10.13105 
1 1 1 -28 19 1  o 27.50429 6.858185 45.33561       18.39937 40.44446       29.28658 48.52501       23.64929 24.72232 9.141086 27.43383 8.186792 -2.711512      12.27123 
1 1 1 -28 19 2  o 33.27511 5.884750 62.71134       18.46594 35.29749       29.35271 80.66763       23.75590 23.57525 9.054532 37.03061 6.804647 -13.45536      11.32642 
1 1 1 -28 19 3  o 49.48316 4.367290 129.6500       20.93629 79.83644       33.21943 162.4741       26.96592 33.84901 9.590810 54.70681 5.094341 -20.85780      10.85983 
1 1 1 -28 19 4  o 30.22851 6.500957 53.50690       18.66362 25.80124       30.93885 69.35683       23.40096 21.78173 8.978385 33.85500 7.278221 -12.07327      11.55785 
1 1 1 -28 19 5  o 57.77572 4.018802 174.4945       22.58564 129.7250       36.55088 202.1475       28.72620 45.04762 8.602983 61.36380 4.821246 -16.31618      9.861832 
1 1 1 -28 19 6  o 25.80417 7.184689 40.69191       18.81392 19.85219       32.43371 51.26023       23.09691 20.93064 8.941525 28.37430 7.982548 -7.443657      11.98632 
1 1 1 -28 19 7  o 15.62121 6.804294 3.794851       19.50819 -11.43000      37.24654 9.550202       22.90052 17.87125 8.389802 17.56646 7.509109 0.3047848      11.25946 
1 1 1 -28 19 8  o 19.58591 7.889904 19.20390       23.24035 -5.320171      29.90195 56.62000       36.93452 16.93932 7.802189 27.66125 10.25856 -10.72193      12.88845 
1 1 1 -28 19 9  o 32.33306 7.930771 66.01239       24.90604 45.95338       31.62341 98.78000       40.41815 25.77409 9.504319 36.20518 10.67733 -10.43109      14.29467 
1 1 1 -28 19 10 o 28.23015 8.348932 52.24523       24.68353 62.56419       31.54523 35.95000       39.64112 29.67052 9.557491 23.86701 10.02561 5.803513       13.85130 
1 1 1 -28 19 11 o 11.64866 5.582416 -19.23573      18.23547 -37.21481      27.88510 -5.802030      24.10385 13.25660 6.480416 15.34461 7.044726 -2.088019      9.572041 
1 1 1 -28 19 12 o 15.93205 6.808783 6.684578       18.81984 26.67490       29.81766 -6.551945      24.26334 21.65145 8.857250 15.26418 7.029737 6.387266       11.30788 
1 1 1 -28 19 13 o 17.91936 7.275413 14.74802       19.93644 32.14000       34.75560 6.219045       24.33876 22.82147 9.471638 17.13947 7.529422 5.682001       12.09976 
1 1 1 -28 19 14 o 14.44910 6.538976 -2.712961      19.83656 -7.229000      33.74036 -0.3274610     24.52226 17.35941 8.095824 16.13371 7.288830 1.225691       10.89355 
1 1 1 -28 19 15 o 17.94553 7.242043 15.26409       19.61878 31.68559       29.68181 2.523885       26.14401 22.44730 8.959521 16.92219 7.595670 5.525108       11.74594 
1 1 1 -28 19 16 o 14.52552 6.534796 -1.302974      19.47462 -0.1193891     28.15388 -2.388868      26.96698 16.94627 7.716643 16.38115 7.494705 0.5651264      10.75719 
1 1 1 -28 19 17 o 24.55937 7.714646 39.11349       20.66027 52.44204       29.75355 26.70313       28.71043 26.86841 9.294739 21.25663 8.692965 5.611784       12.72634 
1 1 1 -28 19 18 o 18.62748 7.397475 18.20211       20.13477 37.97991       28.30536 -2.056628      28.64744 23.58493 8.931599 16.74780 7.685644 6.837133       11.78315 
1 1 1 -28 19 19 o 14.50832 6.563060 -1.848858      19.95843 -16.91737      27.81779 14.13655       28.65163 14.82428 7.045854 18.96055 8.252648 -4.136271      10.85128 
1 1 1 -28 19 20 o 37.51797 6.232595 82.86178       22.08560 56.63110       30.77828 110.7047       31.71008 27.39682 9.454563 41.12664 8.165219 -13.72982      12.49238 
1 1 1 -28 19 21 o 36.69214 6.495194 80.82622       22.47414 104.5700       32.06369 57.89536       31.51001 39.20534 8.592971 27.37257 9.559524 11.83277       12.85393 
1 1 1 -28 19 22 o 27.60786 7.725818 50.75143       21.69570 59.21665       30.22166 41.74964       31.16477 27.79720 9.373482 23.70984 9.268073 4.087364       13.18178 
1 1 1 -28 19 23 o 22.97980 7.930960 35.76323       21.65791 48.20989       30.31264 22.78321       30.95529 25.11694 9.297503 20.23346 8.691334 4.883480       12.72725 
1 1 1 -28 19 24 f 17.16450 7.271634 12.58203       21.14196 -28.01886      29.24053 57.05935       30.60460 13.95498 6.780144 26.97847 9.421228 -13.02349      11.60732 
1 1 1 -28 19 25 o 18.60595 7.562664 19.08066       21.57012 28.50272       30.33632 9.446391       30.67604 21.04642 8.800825 18.16199 8.183497 2.884432       12.01766 
1 1 1 -28 19 26 o 12.38570 5.927063 -17.45107      20.39472 -7.765660      28.20629 -28.06240      29.52378 15.62659 7.324855 14.02987 6.815692 1.596728       10.00536 
1 1 1 -28 19 27 o 13.18955 6.207386 -10.88440      20.61278 -5.015327      28.78668 -17.06018      29.52926 15.97790 7.460268 14.91317 7.135313 1.064730       10.32319 
1 1 1 -28 19 28 o 17.82169 7.701931 13.65494       24.59507 15.04842       30.07275 10.84000       42.74221 18.75279 8.298225 19.59970 9.131067 -0.8469067     12.33843 
1 1 1 -28 19 29 o 22.69293 9.281945 39.11824       32.73969 39.11824       32.73969 0.000000       0.000000 22.69293 9.281945 ?        ?        ?              ?        
1 1 1 -28 19 30 o 20.43521 8.369238 27.01715       26.66035 -5.884000      54.28095 37.47733       30.60636 19.30987 9.347824 22.45898 9.051842 -3.149103      13.01221 
1 1 1 -28 19 31 o 17.96372 7.666728 15.49734       23.80404 -16.06000      37.72328 36.37676       30.68445 16.52231 7.946881 22.20403 9.021922 -5.681719      12.02281 
1 1 1 -28 19 32 o 13.07815 6.203081 -12.97762      21.34251 -3.121042      30.20457 -22.80592      30.16122 16.31383 7.625207 14.43350 6.982581 1.880332       10.33926 
1 1 1 -28 19 33 o 17.03243 7.264958 13.05248       21.35204 5.156171       30.31228 20.82914       30.08174 17.22528 7.905153 19.34114 8.436606 -2.115850      11.56148 
1 1 1 -28 19 34 o 19.39767 7.726884 23.82865       22.03290 52.35921       31.46450 -3.620935      30.86267 25.09378 9.435807 16.31441 7.651972 8.779373       12.14854 
1 1 1 -28 19 35 o 13.55481 6.353622 -7.829372      21.22079 -21.68103      29.80958 6.402564       30.21600 14.29216 6.920814 17.19135 7.890693 -2.899193      10.49575 
1 1 1 -28 19 36 o 16.56721 7.200029 11.56264       21.73983 25.71795       31.12202 -1.926522      30.38090 19.75388 8.599469 16.14904 7.580000 3.604837       11.46330 
1 1 1 -28 19 37 o 21.19108 8.000541 33.40603       22.67138 14.65683       31.96510 52.38474       32.16014 18.08066 8.228993 24.10321 9.416927 -6.022545      12.50579 
1 1 1 -28 19 38 o 20.73257 8.028427 32.36157       23.21346 16.45187       32.94981 48.03966       32.70910 18.22999 8.319223 22.95510 9.319340 -4.725107      12.49238 
1 1 1 -28 20 1  o 43.31666 5.136625 102.6243       21.35561 54.44915       33.51927 135.5405       27.70687 27.45485 9.834075 49.07110 5.885705 -21.61626      11.46083 
1 1 1 -28 20 2  o 55.86539 4.312991 165.0734       23.40206 88.70823       35.93580 221.3064       30.83721 35.10629 9.984699 63.96928 4.963716 -28.86300      11.15046 
1 1 1 -28 20 3  o 13.23362 6.094899 -7.468973      18.24247 -28.83136      29.16311 6.263195       23.38183 14.32135 6.913064 17.03086 7.433262 -2.709519      10.15105 
1 1 1 -28 20 4  o 15.94939 6.718246 7.769897       17.87831 12.52300       29.43445 4.991212       22.50540 19.24038 8.369654 16.59171 7.265921 2.648663       11.08353 
1 1 1 -28 20 5  o 25.95593 7.175857 41.44198       18.84099 44.42423       31.32711 39.75194       23.58286 25.35482 9.439291 24.72944 8.279702 0.6253815      12.55602 
1 1 1 -28 20 6  o 19.40889 7.798194 19.11531       22.63961 11.67322       31.65308 26.91000       32.39426 19.43917 8.561437 21.93350 9.127106 -2.494335      12.51408 
1 1 1 -28 20 7  o 18.29337 7.622118 13.98899       22.63388 14.65474       30.73384 13.20000       33.45761 19.72560 8.566831 19.90755 8.783510 -0.1819477     12.26950 
1 1 1 -28 20 8  o 16.29283 7.244669 2.463528       23.19850 -47.75425      30.27357 73.90000       36.10728 13.16676 6.498586 31.27851 10.23664 -18.11175      12.12520 
1 1 1 -28 20 9  o 28.95534 7.596632 52.89338       21.79520 36.71000       38.62412 60.45402       26.39997 23.72803 9.926927 30.04945 8.561831 -6.321428      13.10911 
1 1 1 -28 20 10 o 43.49603 6.532288 110.8108       26.95282 100.0032       34.43665 127.9000       43.30283 38.03481 9.323245 41.20267 10.65755 -3.167870      14.16002 
1 1 1 -28 20 11 o 21.60144 7.833863 28.86217       21.34940 8.299000       37.69073 38.57681       25.90614 19.71579 8.958494 24.02361 8.640522 -4.307817      12.44641 
1 1 1 -28 20 12 o 15.41765 6.795716 2.794543       19.98053 -7.510000      35.07998 7.742679       24.30892 17.56639 8.212928 17.33570 7.572498 0.2306824      11.17116 
1 1 1 -28 20 13 o 19.20617 7.579554 19.87938       21.01542 24.37000       36.26545 17.60898       25.78643 21.54213 9.331055 19.32183 8.099211 2.220297       12.35580 
1 1 1 -28 20 14 o 35.59205 6.307717 74.30708       21.17074 52.74196       31.01661 93.11778       28.96815 26.78110 9.473748 38.05011 8.030524 -11.26902      12.41939 
1 1 1 -28 20 15 o 15.06260 6.703917 1.350339       19.91205 3.213336       29.13879 -0.2817702     27.27346 17.51419 7.925748 16.66175 7.590160 0.8524437      10.97397 
1 1 1 -28 20 16 o 27.42508 7.544384 48.25923       20.88415 36.49427       29.86523 59.51732       29.21482 23.19651 9.071214 28.71614 9.192622 -5.519627      12.91477 
1 1 1 -28 20 17 o 16.06877 6.954982 6.809912       20.11692 -3.474443      28.34426 17.24861       28.55616 16.42680 7.576953 19.42921 8.346831 -3.002415      11.27297 
1 1 1 -28 20 18 o 14.81623 6.654070 0.1405231      20.09464 -19.88655      28.13095 21.00672       28.71424 14.54897 6.961939 19.98729 8.471238 -5.438319      10.96497 
1 1 1 -28 20 19 o 17.12046 7.214996 12.08831       20.63576 23.41048       29.07195 0.5908965      29.29607 20.33578 8.566521 16.98158 7.785213 3.354200       11.57561 
1 1 1 -28 20 20 o 16.01963 7.003490 6.589290       20.83100 34.34759       29.30851 -21.74842      29.61281 22.26467 8.897521 14.63554 7.039787 7.629135       11.34568 
1 1 1 -28 20 21 o 30.06530 7.523836 58.98158       22.08644 43.59336       30.66138 75.57761       31.84194 24.07174 9.251875 31.43335 9.526571 -7.361614      13.27979 
1 1 1 -28 20 22 o 14.09365 6.504467 -5.176433      20.93075 -44.52864      29.15662 36.66718       30.06541 12.74200 6.305146 22.57346 9.014774 -9.831461      11.00096 
1 1 1 -28 20 23 o 19.90867 7.776628 24.69325       21.92868 8.910098       30.58939 41.37939       31.45227 18.04586 8.147827 23.38505 9.258794 -5.339188      12.33338 
1 1 1 -28 20 24 o 28.92370 7.718683 55.92583       22.25847 33.80367       31.41546 78.22567       31.54137 21.99938 9.055547 32.04008 9.427814 -10.04070      13.07236 
1 1 1 -28 20 25 o 17.21921 7.307023 12.76881       21.40854 8.165993       30.18595 17.42711       30.36736 17.88518 8.082839 19.20908 8.425358 -1.323898      11.67557 
1 1 1 -28 20 26 o 22.45418 7.981719 34.91538       22.03941 10.28545       30.67212 61.20659       31.68965 18.13261 8.175479 27.46340 9.587037 -9.330791      12.59959 
1 1 1 -28 20 27 o 28.10714 8.518216 57.24398       25.45825 49.52843       31.13147 72.82000       44.23280 24.92785 9.383090 27.30471 10.92422 -2.376865      14.40072 
1 1 1 -28 20 28 o 19.19497 8.045348 21.12158       25.44127 -2.182090      30.43825 75.14000       46.34240 16.53275 7.703346 27.17488 11.07035 -10.64214      13.48682 
1 1 1 -28 20 29 o 19.73506 7.731620 24.68246       21.72868 8.175059       30.70938 41.23212       30.74866 17.79462 8.085869 23.12648 9.155208 -5.331865      12.21471 
1 1 1 -28 20 30 o 15.58160 7.062277 1.936440       23.24490 26.56000       37.22756 -13.79827      29.75901 20.73252 9.200443 15.17766 7.234592 5.554861       11.70416 
1 1 1 -28 20 31 o 17.70296 7.414845 16.12727       21.58709 18.29776       31.03783 14.09356       30.04393 19.07197 8.435333 18.37608 8.203025 0.6958981      11.76624 
1 1 1 -28 20 32 o 15.56483 6.943117 4.929393       21.48341 -15.92653      30.50995 25.43942       30.25589 15.03654 7.209915 20.04013 8.600179 -5.003584      11.22256 
1 1 1 -28 20 33 o 16.40899 7.133425 9.951383       21.35291 18.35978       30.41782 1.782187       29.98204 18.94856 8.367063 16.73169 7.744139 2.216871       11.40085 
1 1 1 -28 20 34 f 18.04209 7.510063 18.52164       21.94213 10.56582       31.35775 26.15415       30.71399 17.81996 8.125827 19.94604 8.613378 -2.126080      11.84142 
1 1 1 -28 20 35 o 21.51881 7.999460 33.93846       22.48326 45.96457       32.33896 22.68723       31.27976 23.10353 9.307025 19.27977 8.500240 3.823761       12.60456 
1 1 1 -28 20 36 o 16.73203 7.300791 12.68575       22.54229 23.35916       32.74189 3.067079       31.08206 19.23179 8.575650 16.61645 7.756294 2.615349       11.56295 
1 1 1 -28 20 37 o 19.76930 7.901854 28.36372       23.12063 28.59135       33.04447 28.14539       32.36126 19.75941 8.723162 19.68771 8.664319 0.7170677E-01  12.29488 
1 1 1 -28 21 1  f 27.41411 7.238997 46.73417       19.70878 12.16083       32.32931 67.18272       24.86319 19.45975 8.607836 32.40056 7.909791 -12.94081      11.69015 
1 1 1 -28 21 2  o 40.95267 5.349289 93.22485       20.93089 56.65412       33.86089 115.8397       26.62741 27.54846 9.882100 44.78626 6.243528 -17.23780      11.68921 
1 1 1 -28 21 3  o 23.69133 7.451530 35.35769       19.26900 0.2284682      32.32468 54.72149       23.99912 17.90533 8.197111 28.87459 8.141757 -10.96926      11.55339 
1 1 1 -28 21 4  o 26.60914 8.238673 46.97766       23.65337 10.36295       31.90046 91.69000       35.25192 19.12199 8.499488 35.58828 9.806471 -16.46629      12.97722 
1 1 1 -28 21 5  o 46.56343 7.410074 132.6751       32.64267 95.27000       58.72506 149.4000       39.26803 30.76583 12.48831 47.67949 8.735806 -16.91366      15.24048 
1 1 1 -28 21 6  o 39.63464 6.666842 93.01524       24.94719 50.23208       33.09731 149.3000       37.96223 26.16369 9.709580 48.16623 8.354724 -22.00253      12.80927 
1 1 1 -28 21 7  o 23.65695 7.383140 35.23346       18.95420 39.05839       31.07516 32.96739       23.91870 23.91210 9.280902 22.64338 8.279769 1.268713       12.43743 
1 1 1 -28 21 8  o 21.93336 7.532885 29.99057       19.53046 49.09818       32.81724 19.51170       24.30278 25.92066 9.658989 19.53199 7.993977 6.388666       12.53793 
1 1 1 -28 21 9  o 20.46683 7.530265 25.07025       19.83255 2.884672       31.92019 39.01956       25.31083 18.08328 8.227468 24.09844 8.554888 -6.015163      11.86918 
1 1 1 -28 21 10 o 36.87679 6.489590 80.33785       22.56981 32.31000       39.57988 103.4800       27.47449 22.80515 9.812319 41.33797 7.042281 -18.53282      12.07789 
1 1 1 -28 21 11 o 14.86789 6.719900 -1.512648      20.87029 7.213000       36.60155 -5.716391      25.40497 19.25821 8.780640 15.51068 7.161153 3.747530       11.33057 
1 1 1 -28 21 12 o 19.91138 7.977301 22.27619       23.62082 -12.22388      29.63006 82.43000       39.12498 15.78073 7.431643 31.74863 10.66499 -15.96790      12.99890 
1 1 1 -28 21 13 o 19.10772 7.478019 20.20731       20.30887 30.57484       30.14522 11.59110       27.48141 21.99938 8.940993 18.41029 8.046484 3.589096       12.02860 
1 1 1 -28 21 14 o 16.48891 7.040951 8.888985       20.09538 -4.651386      29.30503 20.90745       27.60905 16.51481 7.648108 19.98316 8.378761 -3.468349      11.34448 
1 1 1 -28 21 15 o 18.49006 7.400497 18.08600       20.30764 20.17585       29.03810 16.08546       28.41085 19.90169 8.479992 19.14851 8.276601 0.7531815      11.84957 
1 1 1 -28 21 16 o 18.74602 7.488759 19.15565       20.75496 29.17445       30.31656 10.31773       28.47392 21.49608 8.876805 18.19711 8.062360 3.298964       11.99164 
1 1 1 -28 21 17 o 24.40366 7.858111 40.07577       21.32594 23.88216       30.79440 54.99939       29.56221 20.50444 8.734611 26.98528 9.267739 -6.480844      12.73516 
1 1 1 -28 21 18 o 35.53922 6.680871 77.22105       22.38764 55.61805       31.56751 99.08163       31.75515 26.59658 9.541466 37.64792 8.779355 -11.05134      12.96598 
1 1 1 -28 21 19 o 16.46754 7.129821 8.788838       21.15445 11.03422       30.26298 6.643302       29.58244 18.37747 8.216218 17.67903 7.994506 0.6984367      11.46379 
1 1 1 -28 21 20 o 12.62529 6.045562 -17.88972      21.29201 5.070446       30.21566 -40.53584      30.00830 17.51672 7.983284 13.22187 6.515174 4.294850       10.30438 
1 1 1 -28 21 21 o 12.70613 6.073733 -16.92579      21.29037 -23.64299      30.04942 -10.15494      30.16920 14.47150 6.993341 15.73910 7.438411 -1.267607      10.20964 
1 1 1 -28 21 22 o 18.60093 7.575204 19.20677       21.69121 7.452849       30.42785 31.35210       30.93032 17.81166 8.075847 21.49240 8.928925 -3.680744      12.03931 
1 1 1 -28 21 23 o 14.66750 6.692582 -1.808376      21.31500 -25.93081      29.72154 23.73588       30.58493 14.22091 6.892077 20.20725 8.658875 -5.986341      11.06693 
1 1 1 -28 21 24 o 13.60770 6.340714 -7.561554      20.62591 -15.89675      28.62644 1.437485       29.74455 14.78803 7.061779 16.87819 7.776775 -2.090154      10.50461 
1 1 1 -28 21 25 o 22.83091 7.982603 36.33921       21.97552 51.59785       30.42398 19.69401       31.77626 25.44341 9.332504 19.52811 8.590168 5.915304       12.68411 
1 1 1 -28 21 26 o 23.64789 8.685911 41.69833       26.36872 42.66113       31.89698 39.62000       46.86387 23.33978 9.297069 22.54391 10.14008 0.7958641      13.75706 
1 1 1 -28 21 27 o 17.86120 7.857707 12.87437       26.59451 32.98000       54.05748 6.454315       30.54686 21.96532 10.24504 17.53593 8.005412 4.429392       13.00183 
1 1 1 -28 21 28 o 29.52527 8.237143 61.78355       24.70297 63.99000       38.86821 60.28831       31.99644 26.39239 10.34044 26.96242 9.613688 -0.5700321     14.11906 
1 1 1 -28 21 29 o 17.49653 7.552040 13.42596       23.58936 -24.67000      36.32993 41.19467       31.01723 15.56915 7.562813 23.00679 9.166797 -7.437638      11.88387 
1 1 1 -28 21 30 o 17.43151 7.376730 14.91523       21.71815 -22.85778      30.58887 53.31324       30.84090 14.46514 7.006037 25.38134 9.381284 -10.91620      11.70867 
1 1 1 -28 21 31 o 16.72600 7.184913 11.90276       21.15582 -6.968187      29.76096 31.17956       30.07929 15.71520 7.415241 20.95736 8.763513 -5.242160      11.47976 
1 1 1 -28 21 32 o 15.57478 6.936159 5.367777       21.34937 31.53527       30.74085 -19.01268      29.67261 20.99923 8.825298 14.54858 7.010355 6.450658       11.27080 
1 1 1 -28 21 33 o 20.93411 7.884470 31.10199       21.98847 -0.7730994     31.36277 61.91668       30.83669 16.48953 7.727584 26.94768 9.453530 -10.45815      12.21003 
1 1 1 -28 21 34 o 23.51458 8.073780 41.42241       22.43548 29.13627       31.92529 53.41031       31.53542 20.20613 8.753630 24.62448 9.403209 -4.418348      12.84704 
1 1 1 -28 21 35 o 25.51642 8.081575 49.18577       22.62882 68.67571       32.25136 30.28718       31.75831 27.48629 9.665932 20.15219 8.730482 7.334101       13.02504 
1 1 1 -28 21 36 o 17.66739 7.468353 18.67900       22.22072 15.91535       31.16693 21.53605       31.68928 17.94173 8.150032 18.70681 8.382256 -0.7650719     11.69125 
1 1 1 -28 22 1  o 36.07899 6.207127 75.91852       21.13017 22.87407       34.50719 107.7400       26.72696 21.09228 9.119124 42.64331 6.617496 -21.55103      11.26719 
1 1 1 -28 22 2  o 17.03547 7.354348 8.793329       22.37837 -16.97714      31.38945 35.43000       31.91262 15.76554 7.490730 23.05577 9.260220 -7.290236      11.91061 
1 1 1 -28 22 3  o 18.24333 7.588127 14.99165       22.37646 6.822947       30.65352 24.31000       32.73958 18.30540 8.219962 21.14900 9.007624 -2.843599      12.19447 
1 1 1 -28 22 4  f 13.57394 6.417236 -14.74100      22.48857 -37.23309      30.66290 11.44000       33.08198 13.87884 6.786930 19.29202 8.610119 -5.413175      10.96342 
1 1 1 -28 22 5  o 20.25295 7.941047 23.90694       22.93766 26.94221       30.57593 20.00000       34.68961 21.39355 8.881863 20.64106 9.030488 0.7524853      12.66638 
1 1 1 -28 22 6  o 20.50118 7.429879 25.57844       19.20001 23.31012       30.47125 27.07203       24.72597 20.72927 8.753290 21.06555 8.249194 -0.3362808     12.02785 
1 1 1 -28 22 7  f 15.98192 6.856814 7.332909       19.22330 1.090534       30.51073 11.44211       24.75462 17.46976 7.984890 17.90944 7.733318 -0.4396820     11.11587 
1 1 1 -28 22 8  o 47.15909 5.307183 124.1101       24.07346 91.13000       43.34671 138.8191       28.94825 32.41262 11.21848 48.86569 6.190923 -16.45306      12.81335 
1 1 1 -28 22 9  o 22.06583 7.858911 31.26201       21.37610 12.49000       37.19033 40.52328       26.12222 19.87901 8.978972 24.22696 8.681011 -4.347950      12.48927 
1 1 1 -28 22 10 o 24.67131 7.728637 39.79607       20.74945 40.49213       32.73835 39.32874       26.82541 23.86026 9.446430 23.86471 8.761597 -0.4447937E-02 12.88412 
1 1 1 -28 22 11 o 26.39486 7.563854 45.16273       20.54656 23.07546       30.75509 62.96706       27.61270 20.60999 8.752445 29.90000 8.827232 -9.290012      12.43082 
1 1 1 -28 22 12 o 21.43448 7.958055 29.48697       22.23796 42.87000       37.17102 22.02690       27.75229 23.97707 9.857865 20.07318 8.407410 3.903894       12.95616 
1 1 1 -28 22 13 o 21.43043 7.703031 29.52565       20.58583 18.91658       29.62292 39.43412       28.62809 19.66921 8.476183 23.54656 8.967080 -3.877354      12.33913 
1 1 1 -28 22 14 o 20.42479 8.114013 25.61686       24.23222 16.01694       29.53208 45.40000       42.39435 19.13164 8.351941 24.03534 10.24394 -4.903706      13.21716 
1 1 1 -28 22 15 o 22.42459 7.735240 33.45291       20.60115 50.34347       29.32826 17.00160       28.94440 25.76312 9.202127 19.12846 8.310540 6.634655       12.39936 
1 1 1 -28 22 16 o 30.79195 7.373351 61.27372       21.92912 45.21412       31.38514 76.59251       30.65274 24.27473 9.352488 32.02283 9.257887 -7.748096      13.15969 
1 1 1 -28 22 17 f 15.72675 6.951934 4.932935       21.05325 -0.2717656     30.17963 9.866792       29.38389 16.89221 7.801178 18.05585 8.082499 -1.163633      11.23322 
1 1 1 -28 22 18 o 11.91504 5.772589 -23.08928      20.80476 3.448914       29.62489 -48.91403      29.22396 17.18318 7.859281 12.46342 6.192368 4.719759       10.00568 
1 1 1 -28 22 19 o 26.49474 8.011707 48.80085       22.53820 8.331508       31.84202 89.43233       31.90574 18.08713 8.224599 34.65718 9.237838 -16.57006      12.36858 
1 1 1 -28 22 20 o 11.58587 5.658505 -27.57860      21.11866 -41.40411      29.97665 -13.95481      29.75716 13.11843 6.473213 15.26357 7.263939 -2.145144      9.729712 
1 1 1 -28 22 21 o 18.39464 7.557654 18.24326       21.82911 41.96143       30.94972 -5.235188      30.79292 23.48270 9.219222 16.37731 7.669219 7.105391       11.99212 
1 1 1 -28 22 22 o 20.35396 7.840448 26.88081       22.05435 5.868781       31.07058 48.21778       31.30991 17.63766 8.060184 24.63702 9.378800 -6.999365      12.36642 
1 1 1 -28 22 23 o 14.83104 6.729791 0.1003803      21.18126 -4.939659      29.10086 5.778708       30.88866 15.96852 7.470576 17.52939 8.020474 -1.560875      10.96073 
1 1 1 -28 22 24 o 14.94986 6.959405 -5.531188      24.75279 -6.569585      29.98560 -3.310000      43.85546 15.97654 7.508952 18.39330 8.771567 -2.416759      11.54663 
1 1 1 -28 22 25 o 18.30530 8.176095 13.18231       29.89189 13.18231       29.89189 0.000000       0.000000 18.30530 8.176095 ?        ?        ?              ?        
1 1 1 -28 22 26 o 18.96572 8.159005 19.28139       27.35711 24.14000       56.25357 17.77636       31.30886 21.29152 10.09054 19.10201 8.459197 2.189501       13.16727 
1 1 1 -28 22 27 f 33.10682 7.760028 73.92465       24.70639 32.57000       38.10818 103.9107       32.45008 21.45898 9.424439 37.77575 8.919716 -16.31676      12.97619 
1 1 1 -28 22 28 o 15.87544 7.023008 6.479958       21.52551 2.761272       30.07423 10.38610       30.82291 16.92737 7.806738 17.98028 8.142642 -1.052912      11.28042 
1 1 1 -28 22 29 o 21.59845 7.910744 32.86700       21.84788 39.18847       30.11159 25.83955       31.74850 22.43193 9.000130 20.11156 8.720941 2.320375       12.53224 
1 1 1 -28 22 30 o 12.66910 6.075630 -16.93651      21.68287 -47.68143      30.14820 16.00718       31.20765 12.59485 6.262992 18.62701 8.334493 -6.032160      10.42539 
1 1 1 -28 22 31 o 19.00485 7.618325 22.76825       21.55514 16.11201       30.77212 29.18057       30.20300 18.54413 8.288290 20.50495 8.689242 -1.960821      12.00828 
1 1 1 -28 22 32 o 11.79444 5.722793 -21.59330      20.64858 -17.83003      29.60579 -25.15780      28.81334 14.49387 6.988622 13.71158 6.677391 0.7822914      9.665836 
1 1 1 -28 22 33 o 15.18500 6.854247 4.011797       21.63014 -10.17081      31.32451 16.93740       29.90417 15.41050 7.366683 18.26068 8.165446 -2.850187      10.99739 
1 1 1 -28 22 34 o 21.09171 7.959877 33.42766       22.43646 28.88509       32.48135 37.57292       31.02838 19.87223 8.715030 21.28032 8.899783 -1.408096      12.45624 
1 1 1 -28 22 35 o 28.12213 7.918219 58.60975       22.71626 56.07579       32.37025 61.06853       31.88651 24.36063 9.467494 25.51801 9.518654 -1.157383      13.42528 
1 1 1 -28 23 1  o 56.82416 6.642072 192.0472       36.24781 160.8000       65.40356 205.9000       43.54761 37.79992 13.71102 56.59060 8.091722 -18.79068      15.92068 
1 1 1 -28 23 2  o 39.31017 8.690465 104.3225       32.54914 14.93000       58.75705 143.9000       39.09608 21.98895 10.38870 45.92136 9.019819 -23.93241      13.75799 
1 1 1 -28 23 3  o 30.72609 8.113798 62.76731       24.75959 51.04986       33.40088 77.06000       36.88910 25.89023 9.724685 30.95946 10.35520 -5.069237      14.20562 
1 1 1 -28 23 4  o 23.30452 7.669661 35.33298       20.25733 2.475386       31.80254 57.76638       26.27795 17.82207 8.148289 28.79680 8.638324 -10.97474      11.87498 
1 1 1 -28 23 5  o 13.44243 6.237772 -8.078449      19.64167 -4.996342      31.21015 -10.09971      25.27451 16.83264 7.828688 14.86164 6.955791 1.970998       10.47241 
1 1 1 -28 23 6  o 24.07502 8.016493 38.81255       22.11221 29.83000       38.72440 43.15837       26.93524 22.09132 9.605029 24.67806 8.818252 -2.586739      13.03910 
1 1 1 -28 23 7  o 17.72558 7.348820 14.47401       20.89100 4.554000       37.71367 18.86541       25.09253 18.89259 8.723477 19.19917 8.014465 -0.3065758     11.84613 
1 1 1 -28 23 8  o 30.17646 7.462119 58.51168       21.91626 8.717000       38.04260 83.24754       26.81280 19.33867 8.867965 35.75420 7.874645 -16.41553      11.85963 
1 1 1 -28 23 9  o 38.86368 5.838152 87.42754       21.52301 55.12382       32.76777 111.9397       28.54379 26.54390 9.693440 42.56912 7.100261 -16.02522      12.01568 
1 1 1 -28 23 10 o 37.27233 6.125450 81.84360       21.57195 19.41003       31.50025 136.9821       29.60279 19.86426 8.649490 47.88403 6.482228 -28.01977      10.80893 
1 1 1 -28 23 11 o 21.69777 7.657018 30.78894       20.25167 23.85229       29.88922 36.67620       27.53570 20.37329 8.639170 22.82499 8.768928 -2.451698      12.30973 
1 1 1 -28 23 12 o 31.61796 7.038810 62.98050       21.22389 39.79957       30.95839 83.53679       29.15313 23.23108 9.189610 34.53908 8.644477 -11.30800      12.61649 
1 1 1 -28 23 13 o 51.68695 4.790905 147.5208       23.96260 90.63924       34.58476 200.0401       33.23216 34.08362 9.827735 58.63391 5.869139 -24.55029      11.44689 
1 1 1 -28 23 14 o 31.59990 7.732739 66.18424       23.71975 44.97000       37.67873 80.11056       30.52816 23.78059 9.865122 32.94690 9.144044 -9.166307      13.45118 
1 1 1 -28 23 15 o 15.03528 6.965806 -4.824561      24.34714 3.538690       29.56988 -22.43000      42.90279 17.18967 7.858365 17.04530 8.265528 0.1443729      11.40495 
1 1 1 -28 23 16 o 17.43632 7.649412 10.93645       25.04333 23.23341       30.48049 -14.61000      43.93274 20.05211 8.619086 17.67784 8.521212 2.374279       12.12022 
1 1 1 -28 23 17 o 12.20785 5.883868 -20.31355      20.93252 -12.79168      29.75267 -27.68600      29.45566 15.34809 7.292510 13.96502 6.789608 1.383067       9.963909 
1 1 1 -28 23 18 o 26.21500 8.039922 48.00197       22.59045 19.06400       31.63738 78.10389       32.26737 19.48608 8.571540 31.51598 9.597887 -12.02989      12.86821 
1 1 1 -28 23 19 o 52.41566 5.094525 154.4404       25.80858 116.3353       36.30139 193.3860       36.69956 39.47042 9.509295 55.96108 6.842037 -16.49067      11.71495 
1 1 1 -28 23 20 o 12.46731 5.985496 -18.48513      21.17592 -33.76884      29.20301 -1.537618      30.75149 13.42079 6.575605 16.69729 7.767503 -3.276498      10.17707 
1 1 1 -28 23 21 o 15.63105 6.931099 5.256468       21.08631 -15.06227      28.89775 28.39499       30.83780 14.86865 7.098872 20.74686 8.785395 -5.878203      11.29500 
1 1 1 -28 23 22 o 12.68182 6.068646 -16.82849      21.37833 -11.44737      29.72501 -22.59426      30.76906 15.40366 7.310302 14.62724 7.070549 0.7764292      10.17021 
1 1 1 -28 23 23 f 23.80544 8.770343 43.09029       26.91735 32.49025       31.95433 68.99000       49.94863 21.38745 8.993691 25.65145 11.02977 -4.263998      14.23174 
1 1 1 -28 23 24 o 13.30746 6.490636 -28.69643      27.52141 4.274000       55.39424 -39.50201      31.71221 19.84388 9.566081 13.56164 6.685465 6.282240       11.67070 
1 1 1 -28 23 25 o 13.48836 6.345446 -9.836376      21.50134 -51.03862      29.80873 34.85093       31.04382 12.37379 6.165190 21.74927 8.982128 -9.375478      10.89441 
1 1 1 -28 23 26 o 19.80558 8.009865 25.21077       24.05691 -21.71000      36.20705 62.29644       32.18945 15.71518 7.614059 27.22269 9.649184 -11.50751      12.29149 
1 1 1 -28 23 27 o 28.81420 7.855840 57.87766       22.76093 26.18308       31.31106 93.39329       33.14478 20.15595 8.700327 34.38772 9.521760 -14.23177      12.89805 
1 1 1 -28 23 28 o 29.77910 7.727136 61.13753       22.71512 18.88692       31.38633 107.6078       32.91634 19.01434 8.442365 38.06065 8.981284 -19.04631      12.32627 
1 1 1 -28 23 29 o 15.81678 7.011160 6.721520       21.55882 -38.92022      30.14164 54.52811       30.84819 13.12732 6.480111 25.46941 9.387951 -12.34209      11.40725 
1 1 1 -28 23 30 o 12.77620 6.083243 -13.29261      20.92287 -9.068236      28.94904 -17.91259      30.27423 15.20678 7.216106 14.66292 7.069371 0.5438557      10.10189 
1 1 1 -28 23 31 f 14.29176 6.562572 -1.139746      20.93055 -23.25847      29.97179 19.91529       29.24224 14.08479 6.848066 18.72062 8.237552 -4.635828      10.71230 
1 1 1 -28 23 32 o 13.81526 6.428980 -4.295372      21.09437 14.06043       30.19225 -21.80039      29.48425 17.82478 8.066880 14.00720 6.806163 3.817588       10.55454 
1 1 1 -28 23 33 o 14.53996 6.649543 1.369223       21.19860 -6.392457      29.78846 9.333085       30.17394 15.30394 7.278774 17.05461 7.848872 -1.750671      10.70445 
1 1 1 -28 23 34 o 15.40445 6.903363 6.898038       21.50091 12.09137       30.84709 1.990926       29.98499 17.37375 7.973769 16.12129 7.555312 1.252459       10.98470 
1 1 1 -28 24 1  o 31.64726 8.189622 67.98061       25.56215 50.61130       34.53788 89.02000       38.01200 25.24642 9.788321 32.75386 10.48577 -7.507444      14.34443 
1 1 1 -28 24 2  o 38.25607 7.293971 92.19160       26.31645 -5.339000      59.29303 116.1175       29.36752 20.25450 9.796612 43.12718 7.211215 -22.87268      12.16451 
1 1 1 -28 24 3  o 43.13441 6.575236 112.1472       26.88482 65.91000       61.97072 122.8671       29.83906 25.61128 11.57722 44.53181 7.082482 -18.92053      13.57179 
1 1 1 -28 24 4  o 43.45691 7.241137 118.2262       29.71820 0.000000       0.000000 118.2262       29.71820 ?        ?        43.45691 7.241137 ?              ?        
1 1 1 -28 24 5  o 38.53677 8.034050 98.22844       29.32174 0.000000       0.000000 98.22844       29.32174 ?        ?        38.53677 8.034050 ?              ?        
1 1 1 -28 24 6  o 22.93842 8.087316 36.03738       22.58776 37.65000       39.55658 35.25714       27.51473 22.76639 9.802685 22.44082 8.726577 0.3255711      13.12424 
1 1 1 -28 24 7  o 16.20564 7.016981 8.231810       20.49337 1.731953       31.58034 12.96005       26.93485 17.37790 8.009238 18.16176 7.951286 -0.7838554     11.28587 
1 1 1 -28 24 8  o 16.18732 6.923210 9.315858       19.48485 31.45605       29.17144 -8.518832      26.18183 21.55972 8.783058 15.06117 7.058944 6.498553       11.26813 
1 1 1 -28 24 9  o 39.29823 5.829365 90.22349       21.74466 58.84896       32.36551 116.0368       29.35728 26.99948 9.664236 42.84885 7.258397 -15.84937      12.08643 
1 1 1 -28 24 10 o 39.39064 5.943999 91.20738       22.20540 81.61662       32.66846 99.44395       30.27438 32.46618 9.605680 38.20745 8.330503 -5.741264      12.71481 
1 1 1 -28 24 11 o 31.90137 7.073824 64.54363       21.50926 34.16634       31.04094 92.60161       29.83242 22.02662 9.026938 36.55684 8.498732 -14.53023      12.39815 
1 1 1 -28 24 12 o 17.11831 7.140881 13.63684       19.90010 17.49611       28.35818 9.892531       27.93263 18.95047 8.229643 17.73302 7.913188 1.217449       11.41690 
1 1 1 -28 24 13 o 15.93900 6.932939 7.690949       20.19280 4.760024       28.93934 10.47192       28.18930 17.15838 7.817222 17.81974 7.950834 -0.6613560     11.15010 
1 1 1 -28 24 14 o 15.90804 6.961152 7.136126       20.62181 -8.317346      29.46903 21.96521       28.86755 15.71516 7.404049 19.65342 8.416711 -3.938256      11.20986 
1 1 1 -28 24 15 o 17.89322 7.376475 16.74870       20.88708 -13.47548      29.55405 46.91054       29.52356 15.22193 7.242699 24.54613 9.158572 -9.324202      11.67631 
1 1 1 -28 24 16 o 27.34023 8.316403 53.32013       24.23566 49.54000       38.57486 55.78536       31.15162 24.22251 10.00890 26.33934 9.474794 -2.116831      13.78223 
1 1 1 -28 24 17 o 32.41717 8.397071 73.85126       26.85588 68.46958       32.57087 85.28000       47.46459 28.97118 9.730783 28.72618 11.37384 0.2450066      14.96838 
1 1 1 -28 24 18 o 13.73416 6.440049 -9.017900      21.83607 -0.3014479     29.72199 -19.24000      32.18682 16.59846 7.692230 15.21740 7.324693 1.381056       10.62175 
1 1 1 -28 24 19 o 16.38494 7.160028 8.917078       21.75160 -11.74036      30.33448 30.77982       31.20690 15.47129 7.354604 21.10701 8.882538 -5.635721      11.53211 
1 1 1 -28 24 20 o 30.36938 7.777557 62.71558       23.21869 68.38755       32.78963 57.01130       32.88293 28.63710 9.762575 26.04341 9.675601 2.593691       13.74500 
1 1 1 -28 24 21 o 29.48963 8.090435 61.14338       24.05361 57.57168       33.07328 65.15394       35.04628 26.02848 9.697099 27.22921 10.01157 -1.200727      13.93790 
1 1 1 -28 24 22 o 20.42930 8.733299 27.20884       30.97869 27.20884       30.97869 0.000000       0.000000 20.42930 8.733299 ?        ?        ?              ?        
1 1 1 -28 24 23 o 26.61064 9.268464 57.15894       29.60936 16.25000       59.45380 70.65212       34.14506 20.74564 9.977794 28.59335 9.953442 -7.847712      14.09352 
1 1 1 -28 24 24 o 22.25585 8.070142 35.32811       22.65569 13.09670       31.40958 59.43840       32.70995 18.36543 8.277465 26.40790 9.678320 -8.042475      12.73524 
1 1 1 -28 24 25 o 32.85267 7.940003 74.46200       25.24676 38.10000       38.22700 102.5928       33.62306 22.02426 9.559780 36.57742 9.355002 -14.55315      13.37555 
1 1 1 -28 24 26 o 18.11278 7.479101 18.76547       21.51892 22.51418       29.17340 14.29180       31.86973 19.37273 8.380242 18.41685 8.315846 0.9558811      11.80601 
1 1 1 -28 24 27 o 15.83674 7.021069 6.941464       21.62786 -7.533427      29.51619 23.72417       31.78218 15.52877 7.344530 19.67023 8.623746 -4.141454      11.32745 
1 1 1 -28 24 28 o 17.08034 7.288397 13.91908       21.50579 -1.664391      30.58826 29.15199       30.24226 16.32408 7.644099 20.45119 8.681854 -4.127110      11.56749 
1 1 1 -28 24 29 o 13.86717 6.458999 -5.086692      21.36818 -11.96132      29.79708 2.191744       30.65972 15.02927 7.184551 16.61596 7.738500 -1.586694      10.55946 
1 1 1 -28 24 30 o 15.24640 6.842915 4.984017       21.21407 -3.989169      29.42013 14.70290       30.61818 15.66057 7.384331 18.01057 8.139911 -2.350005      10.99029 
1 1 1 -28 24 31 o 23.15562 7.963494 40.64602       21.82938 61.53047       31.89714 22.24741       29.93867 25.87001 9.544369 18.83354 8.309246 7.036470       12.65459 
1 1 1 -28 24 32 o 17.84965 7.685828 19.25219       24.31809 18.07621       30.70812 21.23000       39.82415 18.10386 8.169780 18.95871 8.826203 -0.8548412     12.02693 
1 1 1 -28 24 33 o 18.80936 7.588925 24.72835       21.53782 9.280947       30.56157 39.97025       30.35760 16.94165 7.833336 21.41370 8.866565 -4.472054      11.83119 
1 1 1 -28 25 1  o 11.85664 5.762619 -24.95680      21.17112 -56.94197      32.17272 -0.5283235     28.11653 12.75193 6.361727 16.40441 7.559372 -3.652480      9.880065 
1 1 1 -28 25 2  o 18.68242 7.615324 19.45198       21.94557 21.13536       34.27537 18.28242       28.56945 20.07869 8.873230 19.13823 8.285912 0.9404621      12.14045 
1 1 1 -28 25 3  o 14.57654 6.764135 -5.818164      23.09763 8.447000       41.33644 -12.29406      27.85124 19.30156 8.987972 15.01498 7.111261 4.286581       11.46096 
1 1 1 -28 25 4  o 21.85879 8.786333 33.37765       28.75387 0.000000       0.000000 33.37765       28.75387 ?        ?        21.85879 8.786333 ?              ?        
1 1 1 -28 25 5  o 46.53196 6.548530 131.4814       29.00243 50.54000       65.61318 151.1362       32.33254 23.76441 11.14972 49.46071 6.863090 -25.69630      13.09268 
1 1 1 -28 25 6  o 25.00826 8.765463 46.59468       26.50738 2.210000       59.79787 57.44917       29.57154 20.35638 9.844031 27.13404 9.270670 -6.777660      13.52221 
1 1 1 -28 25 7  o 18.14932 7.488631 17.47058       21.55232 -5.489411      32.76680 34.97822       28.61292 16.66845 7.838940 22.09665 8.804287 -5.428205      11.78832 
1 1 1 -28 25 8  o 35.10331 6.918682 77.39091       22.92704 14.57194       34.00767 129.7323       31.04232 19.08098 8.605316 45.14896 7.271155 -26.06797      11.26593 
1 1 1 -28 25 9  o 18.36068 7.417484 19.01487       20.60518 6.999355       31.30212 28.20259       27.37199 17.77571 8.110626 20.69303 8.478127 -2.917313      11.73290 
1 1 1 -28 25 10 o 22.27921 7.821415 34.13118       21.11070 37.40449       31.70834 31.52506       28.29284 22.38177 9.142241 21.32419 8.663651 1.057581       12.59521 
1 1 1 -28 25 11 o 22.00801 7.796898 33.11271       21.01501 17.96832       30.46770 46.85609       29.02423 19.13997 8.415713 24.55141 9.096004 -5.411442      12.39199 
1 1 1 -28 25 12 o 16.34862 7.052028 9.631750       20.54327 -3.839256      29.95066 21.60000       28.23071 16.27527 7.602562 19.52092 8.340760 -3.245651      11.28571 
1 1 1 -28 25 13 o 29.87737 7.498791 59.10533       21.89317 49.15475       31.33916 68.59045       30.59741 24.78492 9.395311 29.55366 9.401848 -4.768732      13.29160 
1 1 1 -28 25 14 o 32.53618 7.226450 68.26940       22.41548 77.00382       32.62557 60.46007       30.84950 30.98949 9.688772 27.43066 9.465528 3.558825       13.54506 
1 1 1 -28 25 15 o 20.86341 7.853723 29.26598       21.81098 7.009657       30.80446 51.64096       30.88647 17.64466 8.048939 25.27169 9.379471 -7.627029      12.35961 
1 1 1 -28 25 16 o 20.37289 7.785703 27.57334       21.63021 19.44223       30.47172 35.83164       30.70914 19.23472 8.438119 21.97344 8.988792 -2.738718      12.32884 
1 1 1 -28 25 17 o 17.23424 7.325771 13.69253       21.58080 -0.7055607     30.20268 28.71171       30.84724 16.57097 7.705058 20.71136 8.779271 -4.140383      11.68090 
1 1 1 -28 25 18 o 21.83876 8.008430 33.43013       22.40132 47.10459       31.98365 20.26250       31.38533 24.03800 9.391168 19.41560 8.539044 4.622398       12.69288 
1 1 1 -28 25 19 o 23.29204 8.795630 41.63037       27.40478 4.208425       32.79171 128.3000       49.90388 17.47723 8.092589 34.77084 12.03701 -17.29361      14.50447 
1 1 1 -28 25 20 f 22.46068 9.217764 39.46012       32.42501 39.46012       32.42501 0.000000       0.000000 22.46068 9.217764 ?        ?        ?              ?        
1 1 1 -28 25 21 o 22.65651 9.670925 42.17152       37.88575 44.15000       59.60011 40.83000       49.07708 22.58434 10.60571 22.32093 10.17339 0.2634048      14.69622 
1 1 1 -28 25 22 o 13.00504 6.185129 -13.62287      21.50497 -29.72598      29.44631 4.782246       31.48078 13.65521 6.671860 17.31570 7.986327 -3.660490      10.40650 
1 1 1 -28 25 23 o 21.09308 8.182214 31.41530       24.14293 -0.6178000     36.12650 57.26740       32.45445 17.38258 8.192160 25.85962 9.611397 -8.477043      12.62895 
1 1 1 -28 25 24 o 12.73863 6.101305 -16.07850      21.71517 -11.79052      29.93558 -20.84074      31.54758 15.19581 7.246801 14.73625 7.131986 0.4595566      10.16766 
1 1 1 -28 25 25 o 13.30882 6.283059 -10.17515      21.41787 -20.29534      29.47121 1.152513       31.17983 14.31837 6.920903 16.71020 7.789565 -2.391823      10.41999 
1 1 1 -28 25 26 o 15.57781 6.953318 5.561100       21.58239 30.85448       29.76635 -22.47465      31.33850 20.71910 8.694462 14.54293 7.054948 6.176161       11.19669 
1 1 1 -28 25 27 o 14.65869 6.695120 0.4334792      21.39891 20.27461       29.50454 -21.58645      31.08232 18.83819 8.282371 14.47812 7.024101 4.360068       10.85982 
1 1 1 -28 25 28 o 12.38886 5.938304 -15.35707      20.65705 -35.96603      28.54780 7.292817       29.92800 12.78763 6.311311 17.01992 7.827042 -4.232282      10.05461 
1 1 1 -28 25 29 o 13.54402 6.340086 -5.995700      21.01186 -42.72354      29.13095 33.83413       30.33620 12.43443 6.178729 20.73984 8.744544 -8.305412      10.70718 
1 1 1 -28 25 30 o 12.71636 6.056719 -11.67142      20.77531 -6.613503      29.23051 -16.83465      29.53328 15.16264 7.211205 14.29518 6.914179 0.8674555      9.990363 
1 1 1 -28 25 31 o 14.47652 6.589227 2.672903       20.50080 -11.60128      28.57277 17.81779       29.43131 14.46067 6.945164 17.88201 8.040099 -3.421340      10.62443 
1 1 1 -28 25 32 o 13.00066 6.289242 -17.03089      24.46482 -25.17295      28.74605 4.361000       46.59461 13.30400 6.519535 17.71998 8.597640 -4.415983      10.78998 
1 1 1 -28 26 1  o 20.15696 8.492879 25.30800       28.58332 37.55000       39.16081 11.35000       41.81548 22.28209 9.673736 19.42551 9.043744 2.856585       13.24275 
1 1 1 -28 26 2  o 24.13966 9.085310 45.30772       29.18493 17.98000       39.53331 78.04000       43.26628 19.90190 9.093745 28.18002 10.94730 -8.278120      14.23164 
1 1 1 -28 26 3  o 17.52823 7.944031 7.571271       29.40557 -27.80000      40.09723 48.73000       43.25338 16.07489 7.839118 23.69348 10.22654 -7.618589      12.88541 
1 1 1 -28 26 4  o 44.53057 6.828109 123.3645       28.81430 68.59708       36.35461 215.9000       47.25555 27.88077 10.20568 54.84569 9.122796 -26.96492      13.68873 
1 1 1 -28 26 5  o 22.14299 8.058619 34.25105       22.61917 4.126726       35.46564 54.90600       29.36711 17.99142 8.360048 26.35101 9.226913 -8.359589      12.45096 
1 1 1 -28 26 6  o 28.50223 8.877364 61.20667       27.41739 68.06000       61.63787 59.51619       30.61266 24.88919 11.36587 27.18445 9.426742 -2.295256      14.76639 
1 1 1 -28 26 7  o 19.77128 8.226748 23.85493       26.31557 79.55000       62.50161 11.85430       29.01249 25.88828 11.67153 18.06191 8.062006 7.826368       14.18522 
1 1 1 -28 26 8  o 19.48515 8.198662 22.16896       26.57969 -83.31000      63.23405 44.80483       29.29319 16.78835 8.451103 24.03971 9.090122 -7.251360      12.41175 
1 1 1 -28 26 9  o 15.02893 6.812781 0.5967333      21.64111 -6.935122      32.88371 6.351131       28.74285 16.48668 7.783906 17.27604 7.839363 -0.7893696     11.04739 
1 1 1 -28 26 10 o 30.24736 7.546324 60.89903       22.26799 51.53953       33.49690 68.31071       29.80825 24.92116 9.645832 29.65306 9.259506 -4.731903      13.37088 
1 1 1 -28 26 11 o 14.76235 6.719485 -0.4482193     21.32089 -47.52091      30.97696 41.92543       29.39017 12.90908 6.407241 23.33001 9.033789 -10.42093      11.07529 
1 1 1 -28 26 12 o 20.83264 7.876967 29.45140       21.99533 18.55468       31.71829 39.54565       30.52803 19.20451 8.508962 22.67326 9.074015 -3.468758      12.43946 
1 1 1 -28 26 13 f 47.61950 5.424959 130.9348       24.83602 63.02629       34.90636 200.5592       35.34463 26.76703 9.964159 57.36541 6.403674 -30.59838      11.84447 
1 1 1 -28 26 14 o 28.15590 7.819542 54.87176       22.31664 52.14857       31.79259 57.51686       31.33341 25.05513 9.470906 26.32428 9.498134 -1.269144      13.41315 
1 1 1 -28 26 15 o 22.54157 7.963187 35.92702       21.90813 31.42975       31.10657 40.35341       30.86043 21.13202 8.879161 22.76311 9.118758 -1.631083      12.72758 
1 1 1 -28 26 16 o 13.90586 6.456114 -5.454656      21.08184 -5.656169      29.60489 -5.247341      30.02806 15.85476 7.454665 15.97851 7.511252 -0.1237450     10.58258 
1 1 1 -28 26 17 o 16.06565 7.123569 7.019291       22.27182 26.04193       32.01844 -10.81295      31.00044 20.19636 8.757825 15.59649 7.420035 4.599876       11.47852 
1 1 1 -28 26 18 o 18.78443 7.784209 20.81359       23.42469 36.97800       32.47593 3.283572       33.81995 21.96817 9.139830 17.47903 8.136109 4.489140       12.23653 
1 1 1 -28 26 19 o 15.80983 7.689003 -23.35000      37.85871 -23.35000      37.85871 0.000000       0.000000 15.80983 7.689003 ?        ?        ?              ?        
1 1 1 -28 26 20 o 19.25048 7.845036 23.24234       23.28289 23.30898       32.76076 23.17432       33.09576 19.78508 8.712012 19.78557 8.732526 -0.4978180E-03 12.33516 
1 1 1 -28 26 21 o 19.78210 8.281188 25.33553       26.90403 18.74063       32.32927 40.19000       48.51998 19.08117 8.514105 22.08203 10.08402 -3.000862      13.19763 
1 1 1 -28 26 22 o 16.07150 7.254910 5.467484       24.23781 -2.453000      36.45869 11.74045       32.44603 17.11434 8.114553 18.08528 8.254025 -0.9709396     11.57475 
1 1 1 -28 26 23 o 14.38820 6.633781 -2.293020      21.69349 -24.11755      29.43982 23.63706       32.08963 13.97564 6.793170 19.59260 8.624971 -5.616959      10.97895 
1 1 1 -28 26 24 o 17.18447 7.364106 14.24731       22.12479 -23.59112      30.27581 57.61265       32.41161 14.20287 6.900248 25.61687 9.588405 -11.41399      11.81317 
1 1 1 -28 26 25 o 28.73153 7.855451 58.69352       22.72140 38.45897       31.47157 80.72300       32.83778 21.84242 9.034410 30.68918 9.737251 -8.846758      13.28287 
1 1 1 -28 26 26 o 16.17142 7.092834 10.07437       21.52021 -11.05237      29.70535 33.40962       31.21941 15.02332 7.179465 20.80578 8.826224 -5.782463      11.37748 
1 1 1 -28 26 27 o 15.29688 6.880470 5.255543       21.57748 15.39145       29.90568 -5.750930      31.16351 17.92735 8.078726 15.70203 7.461465 2.225321       10.99724 
1 1 1 -28 26 28 o 24.03212 7.948099 43.92626       21.74583 38.19933       30.58649 49.77981       30.92276 21.29630 8.865919 23.44600 9.212080 -2.149704      12.78542 
1 1 1 -28 26 29 o 14.94379 6.750352 4.897298       21.02465 -20.13187      28.90955 32.99751       30.63183 13.81374 6.718407 20.19538 8.659879 -6.381638      10.96041 
1 1 1 -28 26 30 o 18.66015 7.590148 24.29443       21.74561 2.975121       29.93370 48.11857       31.64335 16.11247 7.550430 22.67056 9.179958 -6.558088      11.88615 
1 1 1 -28 27 1  o 31.48975 7.842268 67.48710       24.08016 46.45000       39.09222 80.34994       30.56792 23.46729 9.912246 32.47092 9.200008 -9.003637      13.52378 
1 1 1 -28 27 2  o 14.66399 6.859695 -7.107940      24.52754 9.716657       30.94302 -35.55000      40.23194 17.97603 8.147807 15.56346 7.644250 2.412569       11.17235 
1 1 1 -28 27 3  f 16.62177 7.452477 6.589032       25.09034 25.92253       31.67549 -25.97000      41.10587 20.33117 8.763214 16.30668 7.948826 4.024492       11.83122 
1 1 1 -28 27 4  o 12.35431 6.046812 -30.23096      24.50235 -41.40489      30.54954 -10.08000      41.02509 13.16447 6.503159 17.40627 8.349966 -4.241807      10.58362 
1 1 1 -28 27 5  o 22.74281 7.980523 36.58890       21.97665 32.12423       31.64690 40.74723       30.54190 21.28385 8.950236 22.89461 9.104740 -1.610756      12.76726 
1 1 1 -28 27 6  o 20.50948 7.854597 28.29226       22.04565 48.71823       33.09781 12.00352       29.55640 24.19064 9.522686 18.02950 8.085734 6.161139       12.49242 
1 1 1 -28 27 7  o 15.59797 7.004664 3.952157       22.26361 34.73403       34.42807 -18.17236      29.18785 21.64753 9.229011 14.57068 7.003572 7.076847       11.58554 
1 1 1 -28 27 8  o 22.25463 8.706113 37.05574       27.51801 -84.45000      63.15747 65.52721       30.57252 16.55618 8.348383 28.37995 9.425465 -11.82376      12.59106 
1 1 1 -28 27 9  o 23.18974 8.805427 41.35359       27.55538 40.75000       64.11864 41.49032       30.51722 22.37093 10.65097 22.94489 9.108728 -0.5739536     14.01471 
1 1 1 -28 27 10 o 17.82818 7.902495 12.77930       27.38658 -24.59000      63.58616 21.29020       30.34541 18.84698 9.323403 19.41936 8.472065 -0.5723724     12.59769 
1 1 1 -28 27 11 o 19.10129 7.707808 22.48485       22.22138 31.19164       32.79753 15.09628       30.21290 21.06523 8.995073 18.50037 8.244406 2.564861       12.20170 
1 1 1 -28 27 12 o 15.12043 6.835172 2.053412       21.60295 -14.36417      30.99760 17.55815       30.12352 15.26643 7.306010 18.80225 8.313375 -3.535819      11.06752 
1 1 1 -28 27 13 o 20.70512 7.886315 29.50533       22.14544 37.25513       31.72332 22.13897       30.92858 21.99347 9.081139 19.50746 8.530898 2.486008       12.45967 
1 1 1 -28 27 14 o 15.98139 7.075939 7.105254       21.89679 -49.35901      32.03681 56.60881       29.99719 12.96063 6.446755 26.22066 9.312754 -13.26003      11.32643 
1 1 1 -28 27 15 o 22.40831 8.089183 36.26324       22.73033 10.44275       33.19319 59.06306       31.19122 18.15766 8.310325 26.51401 9.487663 -8.356350      12.61258 
1 1 1 -28 27 16 o 14.18195 6.609568 -5.785408      22.42935 -31.59571      32.83524 16.79336       30.71099 14.24795 6.979142 18.68264 8.319712 -4.434694      10.85938 
1 1 1 -28 27 17 o 15.43898 7.410308 -14.97385      32.41109 -14.97385      32.41109 0.000000       0.000000 15.43898 7.410308 ?        ?        ?              ?        
1 1 1 -28 27 18 f 25.84813 10.28806 64.03027       39.02891 48.55000       61.37530 74.54000       50.57087 22.65410 10.67694 25.72884 11.08104 -3.074743      15.38787 
1 1 1 -28 27 19 o 14.97897 6.823928 1.069426       22.04843 32.33369       31.02533 -30.83108      31.33943 20.97352 8.843204 13.91835 6.817823 7.055177       11.16624 
1 1 1 -28 27 20 o 21.56881 8.275104 34.48678       24.49890 78.90000       37.82607 2.394145       32.15421 28.64536 10.42178 16.93673 7.900208 11.70863       13.07772 
1 1 1 -28 27 21 o 15.26060 6.994147 1.001815       23.62125 -16.38000      35.22275 15.20824       31.84330 15.69548 7.581548 18.37630 8.303568 -2.680825      11.24407 
1 1 1 -28 27 22 o 13.49211 6.345628 -8.504809      21.47895 -32.40100      29.29523 19.27387       31.58554 13.29240 6.527621 18.89670 8.424760 -5.604297      10.65769 
1 1 1 -28 27 23 o 15.51225 7.160411 0.6306977      25.38097 -15.30043      30.07450 40.06000       47.31345 14.77106 7.102269 21.59409 9.897536 -6.823035      12.18210 
1 1 1 -28 27 24 o 15.50605 6.938987 6.181029       21.63977 12.40795       29.10131 -1.520738      32.36467 17.52171 7.925727 16.36193 7.724169 1.159775       11.06707 
1 1 1 -28 27 25 o 13.35039 6.276539 -7.398088      20.97795 -0.2677764     28.24297 -16.17311      31.33143 15.76428 7.370010 14.79497 7.147530 0.9693098      10.26666 
1 1 1 -28 27 26 o 18.04622 7.456174 20.72985       21.40487 27.44538       29.26161 13.00052       31.39274 19.50210 8.414390 17.60474 8.066456 1.897360       11.65631 
1 1 1 -28 27 27 o 16.70697 7.180261 14.84790       21.14800 20.15746       28.66517 8.506310       31.32742 18.19268 8.073344 16.93270 7.864369 1.259975       11.27063 
1 1 1 -28 27 28 o 17.58085 7.346339 19.63754       21.11489 -7.351478      28.37022 53.15205       31.61445 14.76325 7.044470 23.53324 9.293571 -8.769986      11.66169 
1 1 1 -28 27 29 o 14.21884 6.707121 -4.257001      24.31416 -21.24881      28.78662 38.04000       45.41777 13.55121 6.615773 20.10486 9.381738 -6.553646      11.47978 
1 1 1 -28 28 1  o 26.18338 7.857396 48.22793       21.73839 3.342452       32.11354 86.19129       29.53368 17.25224 7.995388 34.25036 8.771803 -16.99812      11.86890 
1 1 1 -28 28 2  o 22.90781 7.899497 37.23488       21.48477 38.23378       31.82741 36.39865       29.12079 22.22601 9.128140 21.99634 8.842009 0.2296734      12.70842 
1 1 1 -28 28 3  o 22.89295 7.940675 37.33681       21.72230 2.067375       31.80513 68.17232       29.73880 17.05659 7.922660 29.26770 9.263970 -12.21111      12.18974 
1 1 1 -28 28 4  o 13.43540 6.444866 -17.38031      24.43546 -7.845231      30.21949 -35.39000      41.53153 15.72703 7.436271 15.67014 7.710508 0.5688858E-01  10.71215 
1 1 1 -28 28 5  o 11.98176 5.900947 -34.32836      24.50702 -9.120049      30.25681 -82.41000      41.78698 15.59680 7.394214 13.45417 6.785005 2.142639       10.03547 
1 1 1 -28 28 6  o 21.28044 8.417850 32.61749       25.97646 16.69839       32.04048 63.15000       44.37324 18.81988 8.431078 25.08227 10.57569 -6.262392      13.52510 
1 1 1 -28 28 7  o 28.16355 7.966925 56.13099       22.94149 37.80154       32.74658 73.79864       32.14997 22.02087 9.171093 29.74244 9.654365 -7.721571      13.31599 
1 1 1 -28 28 8  o 23.10743 8.056153 38.74943       22.37311 -4.747663      32.13446 79.67038       31.16835 16.33471 7.706859 31.59396 9.391357 -15.25924      12.14880 
1 1 1 -28 28 9  o 19.82270 7.842795 26.05332       22.55276 23.61054       33.28370 28.12693       30.66575 19.81077 8.749868 20.38384 8.700794 -0.5730724     12.33953 
1 1 1 -28 28 10 o 15.74698 7.313644 -1.622257      27.09320 81.84000       63.81477 -19.97443      29.92402 25.18864 11.52615 14.49928 6.999872 10.68936       13.48519 
1 1 1 -28 28 11 o 20.53032 8.551536 29.22763       28.47747 -52.11000      62.75942 50.31676       31.95674 17.50505 8.756099 24.39602 9.427158 -6.890965      12.86626 
1 1 1 -28 28 12 o 32.16536 8.678755 76.81002       27.95101 51.71000       62.35691 83.12120       31.26818 22.85933 10.77007 32.40988 9.344486 -9.550549      14.25882 
1 1 1 -28 28 13 o 17.92121 7.473231 17.76466       21.78455 -11.23533      32.58455 41.20257       29.29357 15.77173 7.532257 22.78821 8.962341 -7.016485      11.70720 
1 1 1 -28 28 14 o 14.35888 6.624001 -2.802847      21.67331 -33.62210      32.06215 23.12968       29.41060 13.91016 6.830573 19.47334 8.418990 -5.563179      10.84141 
1 1 1 -28 28 15 o 22.81264 9.423514 43.60302       34.18071 43.60302       34.18071 0.000000       0.000000 22.81264 9.423514 ?        ?        ?              ?        
1 1 1 -28 28 16 o 15.59081 7.578019 -21.58785      36.62754 -71.49000      59.28324 9.222000       46.58189 16.31519 8.208979 19.10573 9.091268 -2.790543      12.24902 
1 1 1 -28 28 17 o 15.25579 6.918530 2.883116       22.34662 16.56390       32.03394 -10.08532      31.18880 18.55670 8.361887 15.50658 7.395541 3.050125       11.16312 
1 1 1 -28 28 18 o 13.32798 6.313873 -10.89844      21.98202 -5.944531      31.34210 -15.69445      30.83856 15.90934 7.537469 14.92316 7.179638 0.9861755      10.40964 
1 1 1 -28 28 19 o 21.98919 8.365778 36.76982       24.90213 23.09000       38.72561 46.41455       32.51642 19.73739 9.011638 23.19971 9.337175 -3.462326      12.97661 
1 1 1 -28 28 20 o 14.15243 6.579329 -4.211429      22.00678 -53.87797      30.31958 51.08651       31.99232 12.18247 6.092570 24.16304 9.406051 -11.98057      11.20684 
1 1 1 -28 28 21 o 16.53195 7.223032 11.57500       22.12782 19.25127       30.41915 2.948076       32.24778 18.61727 8.285992 16.83114 7.870884 1.786127       11.42841 
1 1 1 -28 28 22 o 18.68532 7.668710 22.81570       22.44389 3.628509       30.81196 44.50346       32.75827 16.62224 7.746865 22.47475 9.248704 -5.852507      12.06451 
1 1 1 -28 28 23 o 12.91930 6.197613 -14.83108      22.60298 -1.986000      32.69595 -26.58906      31.28180 16.23516 7.693807 13.94924 6.828473 2.285921       10.28702 
1 1 1 -28 28 24 o 13.76564 6.421557 -4.035569      21.25111 8.099959       28.13076 -20.16755      32.43367 16.59941 7.616982 14.56411 7.090751 2.035294       10.40659 
1 1 1 -28 28 25 o 23.78116 8.512703 47.18754       25.11241 29.13189       29.69436 92.53000       47.05653 19.55550 8.457017 26.71334 11.04795 -7.157841      13.91324 
1 1 1 -28 28 26 o 14.98009 6.766605 5.659232       21.12466 15.06628       28.34343 -6.096358      31.68458 17.28149 7.818989 15.38239 7.368204 1.899095       10.74370 
1 1 1 -28 28 27 f 10.21765 5.134937 -48.73642      22.84294 -44.53952      26.95533 -59.43000      43.02713 11.57232 5.780933 13.93433 7.008733 -2.362011      9.085237 
1 1 1 -28 29 1  f 22.49457 7.994662 36.55179       22.11005 25.20312       34.26338 44.64936       28.94244 20.03872 8.862869 23.56571 9.006017 -3.526989      12.63562 
1 1 1 -28 29 2  o 27.48419 7.970190 53.87170       22.68668 28.04675       34.71487 73.12290       29.97262 20.44386 8.986292 30.27431 9.256322 -9.830450      12.90089 
1 1 1 -28 29 3  o 17.80519 7.448379 17.22940       21.74177 48.31997       33.18691 -6.148077      28.77739 23.79038 9.481006 15.54603 7.321985 8.244349       11.97919 
1 1 1 -28 29 4  o 23.77492 8.053848 41.24248       22.31189 -14.23855      32.67962 89.68627       30.53682 15.52127 7.447480 34.46586 8.967299 -18.94459      11.65665 
1 1 1 -28 29 5  o 36.11715 6.908828 83.49303       23.53475 29.00430       34.33150 131.7997       32.32534 20.54325 8.985819 44.28336 7.739122 -23.74010      11.85913 
1 1 1 -28 29 6  o 13.15297 6.351538 -20.36511      24.67624 -47.74484      30.46656 31.85000       42.07333 12.63463 6.284963 21.05336 9.525893 -8.418724      11.41242 
1 1 1 -28 29 7  o 17.44080 7.712983 12.53401       25.94233 1.540206       32.52141 31.77000       43.01824 16.97392 7.926680 21.05011 9.567109 -4.076195      12.42424 
1 1 1 -28 29 8  o 42.82744 7.227888 119.3989       29.22244 58.42414       35.91712 238.8000       50.26095 25.23144 9.923757 56.13260 9.485248 -30.90116      13.72774 
1 1 1 -28 29 9  o 14.11022 6.563124 -5.003969      21.94300 -47.20343      31.28834 35.84076       30.78201 12.85509 6.390386 21.60256 8.935015 -8.747470      10.98506 
1 1 1 -28 29 10 o 16.53845 7.238639 10.39747       22.30971 -0.9514996     32.83064 20.13438       30.40966 16.74677 7.866598 19.02728 8.385363 -2.280516      11.49772 
1 1 1 -28 29 11 o 17.05121 7.361267 13.22501       22.42123 1.892556       32.86979 23.08626       30.66202 17.02794 7.957524 19.46211 8.502932 -2.434174      11.64569 
1 1 1 -28 29 12 o 11.81589 5.878896 -44.76881      26.71252 -128.3000      62.21828 -25.89206      29.57722 14.97122 7.625635 13.85592 6.751616 1.115308       10.18502 
1 1 1 -28 29 13 o 17.77058 8.242442 8.212487       34.23587 46.97000       60.30446 -10.22000      41.58756 22.13455 10.47750 17.05543 8.238375 5.079121       13.32850 
1 1 1 -28 29 14 o 23.24551 9.802703 50.15570       38.13284 131.0000       62.45747 2.111000       48.14846 29.57107 12.51161 18.55144 8.936868 11.01962       15.37556 
1 1 1 -28 29 15 o 15.24088 6.934434 2.606218       22.67737 -16.50142      32.33063 21.11138       31.81684 15.10994 7.290029 19.07032 8.481730 -3.960381      11.18411 
1 1 1 -28 29 16 o 11.59439 5.680737 -27.53314      21.79524 -40.23774      30.79826 -14.78743      30.84805 13.07339 6.471120 14.96489 7.194840 -1.891498      9.676835 
1 1 1 -28 29 17 o 22.18674 8.377846 37.79763       24.86254 -4.441000      37.85226 69.84783       32.97253 16.96906 8.107971 27.92680 9.777047 -10.95774      12.70157 
1 1 1 -28 29 18 o 25.25783 8.553955 50.40020       25.16876 6.210000       38.29725 83.99665       33.39268 17.85873 8.422112 30.97551 9.818096 -13.11678      12.93549 
1 1 1 -28 29 19 o 38.53326 6.788780 96.09426       24.67045 31.78593       33.76375 169.7544       36.13543 20.37949 8.912766 49.78236 7.660953 -29.40287      11.75277 
1 1 1 -28 29 20 o 27.67755 8.065177 57.24696       23.18019 21.35088       32.07653 96.48295       33.53561 18.80952 8.430414 33.62983 9.671562 -14.82030      12.83008 
1 1 1 -28 29 21 o 18.85879 7.679348 24.41566       22.28873 18.09518       30.49902 31.66049       32.65316 18.16363 8.174157 20.13590 8.786426 -1.972275      12.00076 
1 1 1 -28 29 22 o 16.14339 7.098657 11.34378       21.68120 4.153734       29.45845 19.84173       32.02589 16.23597 7.569497 18.36110 8.309049 -2.125128      11.24000 
1 1 1 -28 29 23 o 12.28185 5.923064 -16.13308      21.28820 -15.69944      28.81704 -16.65402      31.58512 14.10005 6.822220 14.53883 7.059863 -0.4387779     9.817554 
1 1 1 -28 29 24 o 16.94491 7.313670 16.52851       22.12210 15.70470       30.03540 17.50531       32.70564 17.44960 7.955292 17.84768 8.198351 -0.3980770     11.42364 
1 1 1 -28 29 25 o 27.56954 9.227952 69.27848       29.29418 33.11000       37.37381 126.9000       47.17311 19.67722 8.933003 31.44912 11.60621 -11.77190      14.64591 
1 1 1 -28 30 1  o 22.68064 7.951088 37.50236       21.81139 2.345740       33.67433 62.91209       28.62829 17.15022 8.027558 27.86121 9.114827 -10.71099      12.14585 
1 1 1 -28 30 2  o 26.48401 8.081909 51.29615       22.86374 -4.850648      34.23078 96.52100       30.72154 16.53222 7.845582 35.99583 8.795419 -19.46361      11.78612 
1 1 1 -28 30 3  o 17.45815 7.372098 16.04614       21.61419 -17.84307      32.23439 43.73036       29.13432 15.05508 7.267427 23.16349 8.987495 -8.108409      11.55814 
1 1 1 -28 30 4  o 16.18878 7.119522 9.189045       21.81523 25.49478       33.37124 -2.978964      28.82783 19.86739 8.768707 15.80172 7.406361 4.065661       11.47800 
1 1 1 -28 30 5  o 23.68478 8.092010 41.68879       22.53015 -4.274555      33.25245 80.69671       30.63334 16.39963 7.767998 31.70006 9.281191 -15.30043      12.10299 
1 1 1 -28 30 6  o 24.99624 8.179046 46.79365       23.05127 -37.52565      34.29234 116.2999       31.13476 14.02312 6.920356 40.80175 8.081719 -26.77864      10.63981 
1 1 1 -28 30 7  o 20.52771 7.974377 30.11294       22.95736 15.99709       33.77541 42.23478       31.29906 18.57192 8.454998 22.50446 9.123626 -3.932535      12.43895 
1 1 1 -28 30 8  o 14.45073 6.845477 -9.184721      25.83441 -16.17458      32.52607 2.761000       42.52102 15.16412 7.315141 18.06820 8.622225 -2.904079      11.30726 
1 1 1 -28 30 9  f 15.37749 7.131861 -0.6919532     25.62331 -12.97182      32.02357 21.16000       42.71871 15.33216 7.360823 19.65169 9.146297 -4.319526      11.74038 
1 1 1 -28 30 10 o 16.15545 7.363066 5.229925       25.70520 18.56399       31.61688 -20.77000      44.14929 18.66873 8.368360 16.59988 8.123115 2.068844       11.66252 
1 1 1 -28 30 11 o 15.38528 7.128054 -0.2924538     25.49579 -18.42731      30.55480 41.28000       46.26208 14.57094 7.043957 21.64200 9.869093 -7.071055      12.12503 
1 1 1 -28 30 12 o 16.04441 7.779395 -16.09560      37.97961 -42.34000      61.20845 0.3349000      48.43044 17.36262 8.679197 18.36370 8.875217 -1.001087      12.41362 
1 1 1 -28 30 13 f 17.94911 7.861379 16.77609       26.35289 -13.88004      31.50878 88.14000       48.07422 15.14067 7.277325 27.19462 11.19890 -12.05394      13.35571 
1 1 1 -28 30 14 o 22.59357 8.932356 42.33525       29.23411 22.02000       61.04113 48.38183       33.30171 20.32154 9.855384 23.28458 9.421471 -2.963036      13.63425 
1 1 1 -28 30 15 o 19.38516 8.561245 24.82603       31.85844 0.000000       0.000000 24.82603       31.85844 ?        ?        19.38516 8.561245 ?              ?        
1 1 1 -28 30 16 o 38.51081 9.516838 120.5063       35.66465 0.000000       0.000000 120.5063       35.66465 ?        ?        38.51081 9.516838 ?              ?        
1 1 1 -28 30 17 o 19.35567 7.896736 26.46163       23.62271 -17.14476      33.18843 71.23903       33.63110 14.99141 7.269613 27.39200 9.845749 -12.40060      12.23871 
1 1 1 -28 30 18 o 13.72128 6.444348 -5.891249      22.01672 -1.445621      30.41833 -10.78289      31.90774 15.85419 7.485634 15.22687 7.319915 0.6273146      10.46976 
1 1 1 -28 30 19 o 16.19785 7.159914 11.14920       22.32980 7.301069       30.96162 15.32039       32.23507 16.77485 7.800333 17.81845 8.167953 -1.043602      11.29427 
1 1 1 -28 30 20 o 12.19982 5.906276 -18.13128      21.67899 -39.24525      29.40611 7.007013       32.08637 12.53810 6.226446 16.76944 7.845001 -4.231348      10.01562 
1 1 1 -28 30 21 o 17.20927 7.353035 17.96436       21.94025 11.42285       29.58316 25.96082       32.70802 16.88849 7.772143 18.89671 8.487778 -2.008221      11.50863 
1 1 1 -28 30 22 o 20.12074 7.863395 31.68773       22.42991 20.73152       30.51184 44.57030       33.08562 18.08562 8.154210 21.52794 9.107297 -3.442316      12.22432 
1 1 1 -28 30 23 o 13.37358 6.413880 -11.15960      24.17300 -2.814647      29.06803 -29.87000      43.52566 15.11464 7.189162 15.22341 7.562559 -0.1087704     10.43438 
1 1 1 -28 31 1  o 20.42976 7.866314 29.98441       22.19345 5.890761       32.82811 50.26569       30.11913 17.21703 8.014748 24.10873 9.193669 -6.891697      12.19671 
1 1 1 -28 31 2  o 31.76686 7.709931 70.55157       23.72800 43.20850       34.70798 94.54474       32.51244 22.24049 9.364014 34.08248 9.427908 -11.84199      13.28797 
1 1 1 -28 31 3  o 17.81771 7.523078 18.20745       22.50442 1.229316       32.23865 34.34340       31.42890 16.64757 7.812197 20.94969 8.870146 -4.302120      11.81989 
1 1 1 -28 31 4  o 23.78590 8.221455 43.33326       23.27688 -5.547007      32.99324 91.77302       32.84423 16.10368 7.659476 33.19242 9.579222 -17.08874      12.26495 
1 1 1 -28 31 5  o 20.54416 7.978829 30.64023       22.97869 8.336030       32.86008 51.98462       32.14527 17.48823 8.098845 24.11678 9.416915 -6.628548      12.42053 
1 1 1 -28 31 6  o 22.51996 8.238316 38.87737       23.68380 43.21519       34.78468 35.12854       32.33700 22.24484 9.370583 21.06256 8.960792 1.182276       12.96548 
1 1 1 -28 31 7  o 19.09941 7.829653 24.24570       23.36163 -5.793430      33.43815 52.88987       32.65253 16.15103 7.690188 24.20774 9.479670 -8.056713      12.20668 
1 1 1 -28 31 8  o 21.32632 8.136529 34.14089       23.59806 3.186042       33.38718 65.04208       33.35824 16.99495 7.967209 26.54716 9.766344 -9.552216      12.60388 
1 1 1 -28 31 9  o 19.28442 8.178546 24.90841       26.79303 12.21699       32.16916 53.65000       48.41053 17.82248 8.165990 22.69542 10.24832 -4.872944      13.10388 
1 1 1 -28 31 10 o 26.31124 11.87017 111.1000       64.77213 111.1000       64.77213 0.000000       0.000000 26.31124 11.87017 ?        ?        ?              ?        
1 1 1 -28 31 11 o 19.65919 8.617687 27.46364       31.72746 27.46364       31.72746 0.000000       0.000000 19.65919 8.617687 ?        ?        ?              ?        
1 1 1 -28 31 12 o 14.91433 6.986455 -2.939928      25.59003 -24.58312      29.98547 55.08000       49.09517 13.81094 6.744646 22.43306 10.20537 -8.622113      12.23274 
1 1 1 -28 31 13 o 22.85922 8.687479 43.80461       26.83639 18.27917       31.89352 105.7000       49.66438 18.30527 8.287024 28.48296 11.51250 -10.17768      14.18494 
1 1 1 -28 31 14 o 17.18307 7.568556 14.95804       24.74285 14.98000       35.22952 14.93666       34.75859 18.10002 8.383417 18.06034 8.351759 0.3967857E-01  11.83358 
1 1 1 -28 31 15 o 18.38327 7.612625 22.66723       22.38163 18.57961       30.53436 27.41362       32.90300 18.11251 8.162590 19.39225 8.625079 -1.279741      11.87518 
1 1 1 -28 31 16 o 21.59225 8.821337 40.98095       29.52794 43.72000       61.43826 40.15823       33.67181 20.68214 9.995864 21.09781 9.063678 -0.4156704     13.49324 
1 1 1 -28 31 17 o 15.15353 7.170278 -2.916115      28.19188 -8.724000      59.94028 -1.266396      31.94586 17.87259 8.877942 15.88106 7.548831 1.991527       11.65344 
1 1 1 -28 31 18 o 23.39934 9.064403 51.54824       29.59894 -23.39000      59.95897 75.69449       34.03511 17.14344 8.572721 27.25331 9.890063 -10.10987      13.08835 
1 1 1 -28 31 19 o 16.85141 7.343639 16.20564       22.74640 -7.971133      31.31156 43.22210       33.09937 15.04338 7.236711 21.20898 9.045824 -6.165607      11.58434 
1 1 1 -28 31 20 o 14.00529 6.520671 -1.224678      21.74307 8.327202       29.44066 -12.68625      32.24966 16.38457 7.614592 14.78525 7.168800 1.599319       10.45819 
1 1 1 -28 32 1  o 30.66640 7.904584 68.32776       23.87733 28.10845       33.93289 107.7731       33.60479 19.69397 8.759165 36.33418 9.383647 -16.64021      12.83650 
1 1 1 -28 32 2  o 21.81877 8.153623 37.12112       23.41813 8.336918       33.10761 65.94228       33.12886 17.27294 8.043469 26.33996 9.725283 -9.067020      12.62056 
1 1 1 -28 32 3  o 19.79036 7.902945 28.53645       23.10542 9.589837       32.04510 49.05222       33.34568 17.29061 8.003993 22.95757 9.376119 -5.666952      12.32783 
1 1 1 -28 32 4  o 15.60300 7.071501 5.811216       23.30092 -20.83951      32.87418 32.71735       33.03134 14.62885 7.125956 20.31382 8.851048 -5.684967      11.36311 
1 1 1 -28 32 5  o 36.28370 8.909953 102.8578       31.40890 34.35000       63.90487 124.6781       36.06567 20.53271 9.986805 38.99631 9.530486 -18.46360      13.80458 
1 1 1 -28 32 6  o 15.46541 7.031997 5.052098       23.27244 -34.52526      32.47346 46.84301       33.36922 13.59704 6.714612 22.49914 9.304113 -8.902098      11.47400 
1 1 1 -28 32 7  f 19.98957 8.343439 30.47330       27.19011 33.50832       33.19028 24.28000       47.41240 20.35538 8.870689 19.54488 9.263044 0.8105030      12.82549 
1 1 1 -28 32 8  o 22.04462 9.647205 48.23312       39.61355 22.77000       63.13084 64.77000       50.87596 19.80059 9.694469 23.00685 10.43582 -3.206261      14.24391 
1 1 1 -28 32 9  o 12.62474 6.183833 -26.33703      25.77169 -24.29917      31.22687 -30.69000      45.63887 13.98787 6.842116 15.82430 7.840703 -1.836436      10.40631 
1 1 1 -28 32 10 o 13.16582 6.305129 -12.79563      23.17440 -29.10234      31.97466 5.249078       33.63548 13.76917 6.773230 16.83180 7.923966 -3.062637      10.42429 
1 1 1 -28 32 11 o 11.47156 5.648985 -29.08694      22.43598 -41.29578      29.99510 -13.58076      33.80378 12.56114 6.246369 15.17921 7.355008 -2.618073      9.649522 
1 1 1 -28 32 12 o 17.64537 7.983465 16.79121       29.54661 21.89000       37.29286 8.194000       48.42518 18.66201 8.637322 18.11618 8.784009 0.5458336      12.31918 
1 1 1 -28 32 13 o 16.82526 7.695032 11.70118       28.39296 20.21000       35.45031 -3.523000      47.41898 18.33084 8.461802 17.25489 8.438317 1.075945       11.95020 
1 1 1 -28 32 14 o 17.45691 7.703819 18.24279       25.75017 15.95683       30.48153 23.94000       48.12087 17.46129 7.981037 18.97320 9.086119 -1.511911      12.09357 
1 1 1 -28 32 15 o 19.96972 8.225428 32.94522       25.94193 57.71385       30.88545 -26.39000      47.80345 24.18796 9.288421 15.89554 7.901328 8.292424       12.19450 
1 1 1 -28 32 16 o 15.91201 7.079508 11.25905       22.18606 -3.897756      29.77155 30.18836       33.27094 15.13988 7.222012 19.25112 8.610264 -4.111248      11.23806 
1 1 1 -28 32 17 o 24.80748 8.667859 54.41238       25.90779 56.52168       31.81464 50.26000       44.63821 23.58182 9.319763 20.99754 9.620201 2.584282       13.39426 
1 1 1 -28 33 1  o 39.48696 6.855930 103.9495       25.53806 27.90000       64.40157 118.1394       27.81877 19.65626 9.657919 41.82416 7.045362 -22.16790      11.95460 
1 1 1 -28 33 2  o 24.88369 8.434352 51.33339       24.47019 -31.54000      62.18773 66.51570       26.61743 17.09516 8.574794 28.25621 8.738124 -11.16105      12.24263 
1 1 1 -28 33 3  o 28.99945 8.214632 65.41553       24.37328 91.77000       62.81704 60.74476       26.44505 23.54423 11.00205 26.72189 8.761449 -3.177656      14.06442 
1 1 1 -28 33 4  o 26.58981 9.396783 66.42533       30.50858 67.80000       62.01842 65.98647       35.04171 21.88816 10.43621 25.08687 9.821413 -3.198711      14.33090 
1 1 1 -28 33 5  o 17.45704 7.681899 17.99234       25.43303 18.25913       29.70654 17.26000       49.21822 17.77287 8.026528 18.64023 8.993621 -0.8673668     12.05447 
1 1 1 -28 33 6  o 42.35514 10.38146 163.4679       42.70012 65.31000       65.79343 234.9000       56.12631 21.46230 10.36585 46.60954 12.17222 -25.14724      15.98793 
1 1 1 -28 33 7  o 19.49990 8.230340 30.12461       26.91875 15.76791       32.18034 63.58000       49.12431 17.56425 8.091457 22.30542 10.17093 -4.741171      12.99690 
1 1 1 -28 33 8  o 19.43420 7.951244 29.38433       24.03345 39.33344       32.51403 17.40101       35.68350 20.67849 8.895318 17.90898 8.343296 2.769508       12.19579 
1 1 1 -28 33 9  o 19.89503 7.950340 31.55220       23.39998 4.293448       31.71392 64.12602       34.66820 16.20542 7.649019 24.48998 9.712852 -8.284557      12.36313 
1 1 1 -28 33 10 o 35.09373 7.903234 91.63332       26.49322 69.66000       39.40788 109.7546       35.78738 24.17844 10.06448 33.89946 10.05986 -9.721020      14.23006 
1 1 1 -28 33 11 o 24.01882 8.580730 50.83928       25.50229 29.80000       37.53706 68.87525       34.75478 19.10114 8.777408 25.20050 9.805481 -6.099360      13.16018 
1 1 1 -28 33 12 o 17.55423 7.557406 20.32037       23.50495 54.97556       31.96821 -20.46143      34.67906 23.27620 9.295580 14.55147 7.137010 8.724728       11.71942 
1 1 1 -28 33 13 o 21.25976 8.523624 40.80442       26.98699 55.79147       32.29049 6.085000       49.14766 23.21104 9.317540 17.54351 8.581859 5.667528       12.66747 
1 1 1 -28 34 1  o 21.07731 8.165195 37.58490       24.01832 -42.52000      60.09587 52.81273       26.20198 16.22755 8.177739 24.26315 8.694222 -8.035599      11.93587 
1 1 1 -28 34 2  o 23.83633 8.450320 49.30814       24.68850 31.90000       61.74092 52.62147       26.93572 19.31172 9.482131 23.98549 8.783906 -4.673769      12.92547 
1 1 1 -28 34 3  o 11.14928 5.602069 -51.54562      27.12217 -19.20000      59.28659 -60.10674      30.50100 17.00011 8.504547 11.51654 5.806467 5.483574       10.29769 
1 1 1 -28 34 4  o 15.39182 7.091287 5.810324       24.72418 17.87000       60.71223 3.412715       27.07058 18.62815 9.195757 15.43379 7.215475 3.194363       11.68867 
1 1 1 -28 34 5  o 21.99424 8.792297 45.70896       28.62878 27.20000       62.84201 50.55639       32.15990 19.03332 9.388212 22.28665 9.166788 -3.253325      13.12130 
1 1 1 -28 34 6  o 32.91764 9.004189 92.60461       29.84451 -15.81000      62.58175 124.5184       33.95419 17.18919 8.619124 38.49566 9.146934 -21.30646      12.56804 
1 1 1 -28 34 7  o 27.18146 9.143952 69.35989       28.76020 -13.24000      61.67189 92.31559       32.51193 17.15439 8.595162 31.03478 9.667148 -13.88039      12.93563 
1 1 1 -27 0  1  o 54.66683 4.673868 151.7988       24.57233 151.7988       24.57233 151.7988       24.57233 54.66683 4.673868 54.66683 4.673868 -0.000000      0.000000 
1 1 1 -27 0  2  o 88.33041 4.279777 389.8292       36.80416 389.8292       36.80416 389.8292       36.80416 88.33041 4.279777 88.33041 4.279777 0.000000       0.000000 
1 1 1 -27 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  4  o 13.70582 8.029658 11.95941       18.06942 11.95941       18.06942 11.95941       18.06942 13.70582 8.029658 13.70582 8.029658 -0.000000      0.000000 
1 1 1 -27 0  5  o 13.20767 7.842218 10.45314       17.64641 10.45314       17.64641 10.45314       17.64641 13.20767 7.842218 13.20767 7.842218 -0.000000      0.000000 
1 1 1 -27 0  6  o 49.54822 5.048190 126.1286       23.85276 126.1286       23.85276 126.1286       23.85276 49.54822 5.048190 49.54822 5.048190 0.000000       0.000000 
1 1 1 -27 0  7  o 89.75763 4.389194 403.0562       38.35105 403.0562       38.35105 403.0562       38.35105 89.75763 4.389194 89.75763 4.389194 -0.000000      0.000000 
1 1 1 -27 0  8  f 10.26224 6.811405 -3.800650      18.15110 -3.800650      18.15110 -3.800650      18.15110 10.26224 6.811405 10.26224 6.811405 -0.000000      0.000000 
1 1 1 -27 0  9  o 36.74848 6.614726 74.10011       21.50384 74.10011       21.50384 74.10011       21.50384 36.74848 6.614726 36.74848 6.614726 0.000000       0.000000 
1 1 1 -27 0  10 o 12.84617 7.807123 8.634310       18.31648 8.634310       18.31648 8.634310       18.31648 12.84617 7.807123 12.84617 7.807123 -0.000000      0.000000 
1 1 1 -27 0  11 o 21.47707 9.200501 33.80062       19.76229 33.80062       19.76229 33.80062       19.76229 21.47707 9.200501 21.47707 9.200501 0.000000       0.000000 
1 1 1 -27 0  12 o 12.94694 7.884427 8.695182       18.76354 8.695182       18.76354 8.695182       18.76354 12.94694 7.884427 12.94694 7.884427 0.000000       0.000000 
1 1 1 -27 0  13 o 46.21813 5.714052 111.9702       24.78917 111.9702       24.78917 111.9702       24.78917 46.21813 5.714052 46.21813 5.714052 0.000000       0.000000 
1 1 1 -27 0  14 o 10.57351 7.047815 -4.711853      19.78329 -4.711853      19.78329 -4.711853      19.78329 10.57351 7.047815 10.57351 7.047815 0.000000       0.000000 
1 1 1 -27 0  15 o 66.46483 4.986095 224.6935       32.00867 224.6935       32.00867 224.6935       32.00867 66.46483 4.986095 66.46483 4.986095 -0.000000      0.000000 
1 1 1 -27 0  16 o 55.67487 5.387704 159.9315       28.68772 159.9315       28.68772 159.9315       28.68772 55.67487 5.387704 55.67487 5.387704 -0.000000      0.000000 
1 1 1 -27 0  17 o 13.94162 8.333037 11.86543       20.17384 11.86543       20.17384 11.86543       20.17384 13.94162 8.333037 13.94162 8.333037 -0.000000      0.000000 
1 1 1 -27 0  18 o 15.35014 8.757806 16.97502       20.63591 16.97502       20.63591 16.97502       20.63591 15.35014 8.757806 15.35014 8.757806 -0.000000      0.000000 
1 1 1 -27 0  19 o 8.622917 6.058553 -19.80477      19.70835 -19.80477      19.70835 -19.80477      19.70835 8.622917 6.058553 8.622917 6.058553 0.000000       0.000000 
1 1 1 -27 0  20 o 52.15886 5.745888 142.6392       28.42879 142.6392       28.42879 142.6392       28.42879 52.15886 5.745888 52.15886 5.745888 0.000000       0.000000 
1 1 1 -27 0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  22 o 13.09015 8.607138 -0.1842000     27.92039 -0.1842000     27.92039 -0.1842000     27.92039 13.09015 8.607138 13.09015 8.607138 0.000000       0.000000 
1 1 1 -27 0  23 o 25.07350 13.92475 59.54000       50.39283 59.54000       50.39283 59.54000       50.39283 25.07350 13.92475 25.07350 13.92475 0.000000       0.000000 
1 1 1 -27 0  24 o 8.816091 6.276237 -29.55231      23.61045 -29.55231      23.61045 -29.55231      23.61045 8.816091 6.276237 8.816091 6.276237 -0.000000      0.000000 
1 1 1 -27 0  25 o 46.03096 7.129051 117.7572       29.82872 117.7572       29.82872 117.7572       29.82872 46.03096 7.129051 46.03096 7.129051 -0.000000      0.000000 
1 1 1 -27 0  26 o 36.00856 9.382321 81.52773       28.57279 81.52773       28.57279 81.52773       28.57279 36.00856 9.382321 36.00856 9.382321 0.000000       0.000000 
1 1 1 -27 0  27 o 13.51393 8.703004 5.700860       26.53246 5.700860       26.53246 5.700860       26.53246 13.51393 8.703004 13.51393 8.703004 -0.000000      0.000000 
1 1 1 -27 0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -27 0  29 o 17.58885 10.04926 25.85847       27.22505 25.85847       27.22505 25.85847       27.22505 17.58885 10.04926 17.58885 10.04926 -0.000000      0.000000 
1 1 1 -27 0  30 o 18.21387 10.33489 28.44523       28.52071 28.44523       28.52071 28.44523       28.52071 18.21387 10.33489 18.21387 10.33489 0.000000       0.000000 
1 1 1 -27 0  31 o 49.92076 7.208436 139.6805       33.08965 139.6805       33.08965 139.6805       33.08965 49.92076 7.208436 49.92076 7.208436 -0.000000      0.000000 
1 1 1 -27 0  32 o 34.45701 10.41520 81.10532       30.63295 81.10532       30.63295 81.10532       30.63295 34.45701 10.41520 34.45701 10.41520 0.000000       0.000000 
1 1 1 -27 0  33 o 11.94982 8.481153 -38.61000      41.93817 -38.61000      41.93817 -38.61000      41.93817 11.94982 8.481153 11.94982 8.481153 -0.000000      0.000000 
1 1 1 -27 0  34 f 15.28038 10.30308 0.2381000      44.54002 0.2381000      44.54002 0.2381000      44.54002 15.28038 10.30308 15.28038 10.30308 0.000000       0.000000 
1 1 1 -27 0  35 o 20.46197 11.05567 39.50216       30.85392 39.50216       30.85392 39.50216       30.85392 20.46197 11.05567 20.46197 11.05567 0.000000       0.000000 
1 1 1 -27 0  36 o 27.72198 13.44291 76.12000       42.63913 76.12000       42.63913 76.12000       42.63913 27.72198 13.44291 27.72198 13.44291 -0.000000      0.000000 
1 1 1 -27 0  37 o 41.78265 13.06870 133.2000       46.88085 133.2000       46.88085 133.2000       46.88085 41.78265 13.06870 41.78265 13.06870 0.000000       0.000000 
1 1 1 -27 0  38 o 14.62688 9.485757 10.17487       32.26115 10.17487       32.26115 10.17487       32.26115 14.62688 9.485757 14.62688 9.485757 -0.000000      0.000000 
1 1 1 -27 0  39 o 12.71204 8.614121 -4.288291      31.90155 -4.288291      31.90155 -4.288291      31.90155 12.71204 8.614121 12.71204 8.614121 0.000000       0.000000 
1 1 1 -27 0  40 o 14.16412 9.263760 7.958991       31.70430 7.958991       31.70430 7.958991       31.70430 14.16412 9.263760 14.16412 9.263760 0.000000       0.000000 
1 1 1 -27 0  41 o 23.46022 11.71567 52.93863       32.77559 52.93863       32.77559 52.93863       32.77559 23.46022 11.71567 23.46022 11.71567 0.000000       0.000000 
1 1 1 -27 0  42 o 10.72263 7.551027 -24.03234      31.15763 -24.03234      31.15763 -24.03234      31.15763 10.72263 7.551027 10.72263 7.551027 -0.000000      0.000000 
1 1 1 -27 0  43 o 15.08820 9.710598 14.15835       32.96322 14.15835       32.96322 14.15835       32.96322 15.08820 9.710598 15.08820 9.710598 0.000000       0.000000 
1 1 1 -27 0  44 o 15.71416 10.08084 17.12444       35.16109 17.12444       35.16109 17.12444       35.16109 15.71416 10.08084 15.71416 10.08084 0.000000       0.000000 
1 1 1 -27 0  45 o 17.05473 10.58711 26.63013       35.37531 26.63013       35.37531 26.63013       35.37531 17.05473 10.58711 17.05473 10.58711 0.000000       0.000000 
1 1 1 -27 0  46 o 17.59953 10.84140 30.75960       36.41009 30.75960       36.41009 30.75960       36.41009 17.59953 10.84140 17.59953 10.84140 0.000000       0.000000 
1 1 1 -27 0  47 o 25.00170 12.53083 66.74622       37.56181 66.74622       37.56181 66.74622       37.56181 25.00170 12.53083 25.00170 12.53083 -0.000000      0.000000 
1 1 1 -27 1  1  f 77.77023 3.047432 300.6569       23.15326 290.7085       32.70898 310.6476       32.77842 75.82402 4.426358 78.46786 4.283912 -2.643837      6.159915 
1 1 1 -27 1  2  o 46.42766 3.512837 108.0648       15.84552 119.2714       23.12594 98.14767       21.75477 48.23647 4.968998 43.61975 5.197353 4.616714       7.190509 
1 1 1 -27 1  3  o 55.81216 3.550663 155.9944       19.29687 125.7000       30.84583 175.4742       24.73478 48.69996 6.643923 58.89422 4.320782 -10.19426      7.925331 
1 1 1 -27 1  4  o 37.19803 4.164540 70.32256       14.90331 78.63916       21.58597 62.74731       20.60142 38.69650 5.884036 34.28745 6.372929 4.409042       8.673875 
1 1 1 -27 1  5  o 53.48675 3.356867 142.9980       17.48602 164.7076       25.30680 123.1639       24.18899 56.92346 4.580565 48.94020 5.125398 7.983253       6.873956 
1 1 1 -27 1  6  o 63.40300 3.172188 200.3233       19.62426 211.8469       28.00899 189.2117       27.50370 64.65423 4.453023 60.99636 4.641454 3.657867       6.432147 
1 1 1 -27 1  7  o 71.77541 3.142072 256.5390       22.02138 257.6248       31.37173 255.4844       30.91906 71.27970 4.519691 71.00817 4.471181 0.2715302      6.357599 
1 1 1 -27 1  8  o 78.99252 3.080739 310.4923       23.77462 301.2213       33.45762 319.9482       33.78962 77.11718 4.451302 79.54110 4.356592 -2.423920      6.228482 
1 1 1 -27 1  9  o 51.32819 3.549881 132.1849       17.72525 132.8778       25.49665 131.5368       24.65891 50.76261 5.205003 50.57896 5.048140 0.1836472      7.250916 
1 1 1 -27 1  10 o 48.47222 3.662622 118.1784       17.24908 120.1374       24.71923 116.3192       24.08105 48.16712 5.332166 47.41354 5.278171 0.7535820      7.502738 
1 1 1 -27 1  11 o 40.78378 4.070672 84.42564       16.03339 96.39951       23.32487 73.69975       22.07592 42.91639 5.692790 37.17491 6.291013 5.741474       8.484380 
1 1 1 -27 1  12 o 52.04388 3.671074 136.2332       18.58119 129.5836       26.15819 143.0059       26.39900 49.96178 5.436454 52.63819 5.191155 -2.676411      7.516856 
1 1 1 -27 1  13 o 25.31507 6.022636 34.55410       14.70568 36.23202       20.85844 32.89581       20.73603 25.61922 7.698688 24.55800 7.730789 1.061211       10.91031 
1 1 1 -27 1  14 o 35.11048 4.768809 63.78379       15.96577 78.09361       22.53526 49.36235       22.62300 38.24052 6.235144 29.66235 7.718770 8.578173       9.922521 
1 1 1 -27 1  15 o 13.73979 5.869841 1.224295       13.97838 -10.08292      19.49217 13.19603       20.05677 13.93837 6.375127 18.76780 7.405246 -4.829427      9.771382 
1 1 1 -27 1  16 f 61.35886 3.498364 189.1331       20.92402 172.1657       29.17058 207.1153       30.03020 57.62568 5.228424 63.46880 4.871063 -5.843117      7.145885 
1 1 1 -27 1  17 o 21.53541 6.490410 25.04555       14.80913 23.14573       20.99244 26.92767       20.89446 21.52648 7.773405 22.59757 7.790317 -1.071095      11.00522 
1 1 1 -27 1  18 o 14.84084 6.108397 5.222008       14.29296 -1.718825      19.82883 12.72853       20.62104 15.41800 6.783845 18.70963 7.467787 -3.291636      10.08902 
1 1 1 -27 1  19 o 24.83576 6.497098 34.11727       15.97257 25.78197       21.98307 43.43873       23.24715 22.25616 7.964915 27.46835 8.096848 -5.212193      11.35777 
1 1 1 -27 1  20 o 21.83525 6.816031 26.14771       16.15333 29.91158       21.86914 21.62872       23.96265 23.32767 7.972362 21.38265 8.188985 1.945017       11.42882 
1 1 1 -27 1  21 o 11.83538 5.579532 -15.56070      16.78103 -20.41739      21.78639 -8.476000      26.31334 13.29938 6.296007 16.38949 7.461958 -3.090109      9.763223 
1 1 1 -27 1  22 o 34.65858 7.280259 68.52802       23.91127 11.26000       51.33977 84.39165       27.02087 23.89400 10.69064 38.43883 7.450672 -14.54483      13.03082 
1 1 1 -27 1  23 o 23.42088 7.127338 31.32870       17.79813 33.99852       25.16243 28.65553       25.17828 24.27283 8.537644 22.91298 8.475060 1.359846       12.02988 
1 1 1 -27 1  24 o 29.03349 6.861823 48.43191       19.18983 52.84990       26.58892 43.62877       27.72366 29.21403 8.671597 26.60112 8.977743 2.612906       12.48184 
1 1 1 -27 1  25 o 49.55337 4.600673 128.7341       22.06035 126.8774       30.61424 130.7393       31.81659 47.44200 6.785598 47.99370 6.976904 -0.5516968     9.732498 
1 1 1 -27 1  26 o 44.76463 4.921748 106.4333       21.21020 98.47092       30.31989 114.0640       29.68181 40.68746 7.897963 44.66588 7.020391 -3.978424      10.56710 
1 1 1 -27 1  27 o 54.95924 4.391278 157.8949       23.42679 120.9464       32.50452 197.8331       33.79406 45.34826 7.590850 60.17144 5.809953 -14.82317      9.559110 
1 1 1 -27 1  28 o 17.88065 7.205180 13.16988       19.38806 4.772206       26.91721 22.22410       27.94963 18.00424 7.913469 21.29774 8.626285 -3.293495      11.70623 
1 1 1 -27 1  29 o 22.02505 7.575692 28.38685       19.75529 22.36057       27.14321 35.17473       28.80738 21.13725 8.522512 24.01548 9.028975 -2.878233      12.41594 
1 1 1 -27 1  30 o 21.27991 7.635241 25.96265       20.21497 22.00168       27.81605 30.39619       29.42861 21.08846 8.582001 22.93798 8.994461 -1.849518      12.43186 
1 1 1 -27 1  31 o 43.62127 5.284429 103.7191       22.10379 112.3282       30.89788 94.69485       31.63409 43.26468 7.571741 38.59511 8.594392 4.669567       11.45403 
1 1 1 -27 1  32 o 36.58000 7.364483 80.46839       25.45550 81.88615       29.54126 76.38000       50.16556 35.69959 8.563981 30.30853 11.78403 5.391068       14.56726 
1 1 1 -27 1  33 o 16.65026 7.410210 2.262452       24.32597 17.68084       29.09381 -33.56000      44.34644 20.12543 8.528296 17.47467 8.456961 2.650763       12.01050 
1 1 1 -27 1  34 o 16.65721 7.427310 2.329980       24.55760 -27.96000      44.35677 15.71793       29.48950 17.77619 8.567017 19.75855 8.485132 -1.982363      12.05783 
1 1 1 -27 1  35 o 18.20131 7.846116 11.32952       25.39830 4.559000       48.55220 13.88026       29.80101 20.75421 9.689810 19.34899 8.419199 1.405222       12.83648 
1 1 1 -27 1  36 f 20.78008 8.273728 25.13155       25.25043 3.211000       42.05980 37.48409       31.57328 19.69263 9.134597 23.52722 9.288665 -3.834589      13.02767 
1 1 1 -27 1  37 o 22.79516 8.601297 34.49083       26.19558 37.48650       33.23859 29.58000       42.55725 23.35730 9.426265 22.46838 9.910098 0.8889198      13.67715 
1 1 1 -27 1  38 o 24.69744 8.694396 42.03637       26.09888 29.21118       32.71416 64.49000       43.28595 21.92492 9.151572 27.60515 10.88297 -5.680229      14.21937 
1 1 1 -27 1  39 o 18.24857 7.631455 15.21050       22.81293 17.20951       32.20093 13.19617       32.32413 19.84394 8.690664 19.28986 8.565968 0.5540829      12.20260 
1 1 1 -27 1  40 o 58.48016 5.466030 192.4159       30.92616 166.6848       38.03709 242.6000       53.12038 51.14962 7.847422 58.70358 9.574341 -7.553955      12.37942 
1 1 1 -27 1  41 o 15.74377 7.062431 1.760864       22.56430 16.49880       32.29158 -12.30172      31.54305 19.68317 8.658919 16.10478 7.609625 3.578396       11.52750 
1 1 1 -27 1  42 o 17.01053 7.401885 8.854775       23.03559 34.23712       32.62976 -16.36482      32.52499 22.49564 9.241070 15.90284 7.575512 6.592804       11.94930 
1 1 1 -27 1  43 o 18.11608 7.696227 14.69228       23.79529 14.88022       33.15503 14.49264       34.17123 19.37743 8.635798 19.44391 8.709052 -0.6647682E-01 12.26477 
1 1 1 -27 1  44 o 14.68035 6.863425 -8.805346      24.49622 -30.58074      34.19900 14.13845       35.10452 15.00339 7.299319 19.47919 8.767623 -4.475806      11.40839 
1 1 1 -27 1  45 o 19.54458 8.114089 22.13901       25.51760 55.85419       35.42843 -14.20641      36.78443 25.80287 9.937872 16.64652 7.964411 9.156347       12.73551 
1 1 1 -27 1  46 o 18.98971 8.014810 20.24627       25.52636 29.82079       35.80770 10.35291       36.39901 21.09820 9.203788 18.72726 8.619353 2.370941       12.60964 
1 1 1 -27 1  47 o 15.84318 7.456911 -5.629192      29.75816 5.429381       35.97810 -29.58000      52.94790 17.94314 8.365370 17.50590 8.631526 0.4372406      12.02009 
1 1 1 -27 2  1  f 83.91624 2.997741 349.8409       24.58375 359.2198       36.03235 341.6730       33.62563 84.33099 4.380163 82.35188 4.185208 1.979111       6.058200 
1 1 1 -27 2  2  o 74.08430 3.065102 272.9504       22.17881 277.9469       32.23603 268.4594       30.56203 74.10741 4.464703 72.91376 4.301305 1.193649       6.199580 
1 1 1 -27 2  3  o 57.42365 3.188321 164.3995       17.85052 153.2060       26.01270 174.3618       24.54046 54.74508 4.906354 58.71027 4.300166 -3.965191      6.524089 
1 1 1 -27 2  4  o 38.43513 3.909830 74.71950       14.50478 97.01116       21.71986 56.77551       19.48702 43.33922 5.225320 32.58488 6.337981 10.75434       8.214254 
1 1 1 -27 2  5  o 56.47073 3.365168 159.3695       18.51664 182.1011       27.42225 140.3187       25.10402 59.79568 4.723526 52.33957 4.959283 7.456120       6.848809 
1 1 1 -27 2  6  o 85.32877 3.068746 362.0806       25.58909 378.4954       36.80055 346.7142       35.60588 86.55421 4.357719 82.80130 4.409070 3.752914       6.199163 
1 1 1 -27 2  7  o 63.97848 3.207520 204.0948       20.02267 197.7418       28.54986 210.2441       28.08845 62.31070 4.715976 64.37814 4.485472 -2.067432      6.508448 
1 1 1 -27 2  8  o 58.10675 3.326306 168.7238       18.83982 148.5029       26.31350 189.9918       26.98629 53.77408 5.058606 61.14146 4.541650 -7.367378      6.798241 
1 1 1 -27 2  9  o 44.56143 3.792236 100.1461       16.38397 93.52506       23.60618 106.2999       22.75795 42.19984 5.873891 45.33957 5.223365 -3.139729      7.860416 
1 1 1 -27 2  10 o 59.76792 3.332560 178.5917       19.41911 165.9571       27.55717 191.0545       27.36932 56.86338 5.001957 61.25295 4.598465 -4.389568      6.794517 
1 1 1 -27 2  11 o 29.46898 5.324064 45.70366       14.79223 49.24101       21.23224 42.36739       20.61993 29.84935 7.323110 27.65836 7.450562 2.190990       10.44695 
1 1 1 -27 2  12 o 12.86956 5.586229 -0.7732375     13.05359 7.248860       18.58186 -8.589232      18.34160 16.96760 6.972288 13.73900 6.245347 3.228600       9.360404 
1 1 1 -27 2  13 o 11.70693 5.298434 -6.023376      13.02712 -17.56073      18.47800 5.377953       18.36874 12.46562 5.869930 16.44907 6.861087 -3.983450      9.029429 
1 1 1 -27 2  14 o 29.39703 5.382870 45.69018       14.91839 56.93832       21.20027 34.65691       20.99680 32.22151 6.927939 25.06806 7.762363 7.153446       10.40436 
1 1 1 -27 2  15 o 30.12046 5.324265 47.91817       15.12336 55.53007       21.28818 40.16230       21.48855 31.71812 7.040586 26.76231 7.755698 4.955809       10.47477 
1 1 1 -27 2  16 o 18.08303 6.410645 15.74275       14.20859 9.840282       19.63894 22.22581       20.58220 17.81274 7.225034 21.23381 7.693049 -3.421066      10.55387 
1 1 1 -27 2  17 o 52.58022 3.805459 139.8318       19.45302 137.6387       27.00291 142.1980       28.04832 51.30563 5.460799 52.07827 5.589670 -0.7726364     7.814393 
1 1 1 -27 2  18 o 46.57832 4.191720 110.7944       18.90674 97.08804       25.86623 126.5184       27.70467 42.41838 6.431212 48.84080 5.915560 -6.422417      8.738097 
1 1 1 -27 2  19 o 22.20841 6.801622 27.04945       16.17478 52.46862       22.00457 -2.828900      23.85671 30.40617 7.452333 16.55257 7.354224 13.85360       10.47005 
1 1 1 -27 2  20 o 32.29432 6.131533 56.84529       18.67347 56.76937       24.07266 56.96000       29.58941 31.33838 7.861903 30.71475 9.155379 0.6236343      12.06775 
1 1 1 -27 2  21 o 26.81136 8.097828 41.99331       23.03503 55.60000       51.93797 38.66147       25.70102 29.85095 11.87242 25.78491 8.643687 4.066036       14.68563 
1 1 1 -27 2  22 o 52.91383 4.481998 145.0162       22.99568 129.9278       29.32734 169.1000       37.05217 48.81187 6.283819 55.08422 7.032084 -6.272358      9.430619 
1 1 1 -27 2  23 o 32.97266 5.848967 59.45964       18.18605 68.71698       25.52011 49.90805       25.92252 34.20272 7.796720 28.62588 8.578012 5.576838       11.59186 
1 1 1 -27 2  24 o 31.94867 6.163845 56.84887       18.57732 41.58390       25.97531 72.83248       26.57971 26.10821 8.688449 34.95789 7.948278 -8.849684      11.77558 
1 1 1 -27 2  25 f 46.85557 5.013918 116.6098       22.63852 136.5000       35.62460 103.1368       29.31986 48.25027 7.809700 42.23195 7.360147 6.018318       10.73141 
1 1 1 -27 2  26 o 17.84160 7.601760 8.133255       23.33252 13.75489       26.56361 -10.85000      48.81361 19.60350 8.219021 20.71762 9.686852 -1.114115      12.70383 
1 1 1 -27 2  27 o 42.03535 5.345220 95.60443       21.49640 128.3740       30.92624 64.97218       29.90068 47.42755 6.860878 31.64689 9.141929 15.78066       11.43007 
1 1 1 -27 2  28 o 56.78111 4.328639 168.5007       23.87679 166.7092       33.35389 170.3836       34.19559 54.54688 6.366560 55.03770 6.471008 -0.4908180     9.077831 
1 1 1 -27 2  29 o 19.78696 7.503135 20.47821       19.99099 13.45563       27.67294 28.14307       28.91071 19.53641 8.299640 22.50498 8.887354 -2.968573      12.16014 
1 1 1 -27 2  30 o 19.22953 7.472460 18.44366       20.16337 42.69386       27.70120 -8.882633      29.40568 25.73199 8.964689 16.64187 7.690858 9.090117       11.81164 
1 1 1 -27 2  31 o 26.25570 7.750510 42.82550       21.28823 39.51053       28.33688 47.12039       32.25431 24.76515 9.018794 26.36503 9.618884 -1.599876      13.18566 
1 1 1 -27 2  32 o 20.49351 8.155421 22.05111       24.52113 36.49507       28.64992 -17.51000      47.41488 23.96086 9.005155 19.28751 9.176184 4.673347       12.85672 
1 1 1 -27 2  33 o 18.65045 7.504219 16.45520       20.99699 -9.399228      29.03740 44.78886       30.39776 16.26989 7.561626 25.64306 9.340622 -9.373171      12.01771 
1 1 1 -27 2  34 o 21.38458 7.780018 27.51613       21.07979 -6.218673      30.24153 59.39733       29.39896 16.84648 7.790349 29.21757 9.206074 -12.37109      12.05991 
1 1 1 -27 2  35 o 18.45080 8.210372 7.901064       29.85224 0.000000       0.000000 7.901064       29.85224 ?        ?        18.45080 8.210372 ?              ?        
1 1 1 -27 2  36 o 18.80615 8.089481 13.91853       26.88733 -11.58000      53.01170 22.74981       31.19793 19.87992 9.524701 20.82760 8.828812 -0.9476852     12.98722 
1 1 1 -27 2  37 o 18.77892 7.716323 17.48464       22.75830 13.04846       32.31068 21.85253       32.06096 19.35774 8.581870 20.63125 8.853415 -1.273506      12.33010 
1 1 1 -27 2  38 o 21.92987 8.518803 30.57482       26.19841 30.07898       32.12164 31.56000       45.27772 22.04165 9.122999 22.88942 10.15268 -0.8477669     13.64940 
1 1 1 -27 2  39 o 36.95630 7.999874 88.73562       28.09800 72.76878       34.18267 122.0000       49.33853 30.62866 9.955847 36.53661 11.96662 -5.907953      15.56660 
1 1 1 -27 2  40 o 33.24520 7.677323 71.08416       24.47869 30.37326       33.80103 115.9840       35.49744 21.95010 9.241253 40.83176 9.112915 -18.88166      12.97867 
1 1 1 -27 2  41 o 20.66083 8.014987 26.27449       23.16714 10.80377       32.53977 42.17769       32.99145 18.92501 8.485936 24.00665 9.489653 -5.081633      12.73046 
1 1 1 -27 2  42 o 29.73882 8.100896 59.44490       24.21536 32.33451       34.59887 85.47590       33.90311 22.20702 9.349565 33.65078 9.738717 -11.44376      13.50026 
1 1 1 -27 2  43 o 22.20907 8.829129 33.73007       28.71143 42.29025       34.83625 15.60000       50.69786 23.70257 9.619508 21.06324 9.856120 2.639330       13.77236 
1 1 1 -27 2  44 o 26.31099 8.634290 49.70755       25.68064 74.38662       35.84813 23.69108       36.80664 30.02957 10.20825 20.85156 9.205788 9.178003       13.74609 
1 1 1 -27 2  45 o 14.22924 6.731132 -12.49467      24.81319 1.689583       34.88664 -27.01646      35.29930 17.80891 8.280778 15.35812 7.459024 2.450788       11.14488 
1 1 1 -27 2  46 o 13.19355 6.394153 -24.07551      25.58160 15.35291       35.69622 -65.70602      36.67950 19.20622 8.723530 13.23853 6.632481 5.967686       10.95855 
1 1 1 -27 2  47 o 20.41174 8.687554 28.04499       30.41719 -5.923091      36.56968 104.3000       54.79235 16.95757 8.065138 29.02558 11.95466 -12.06801      14.42083 
1 1 1 -27 3  1  o 43.72697 3.630891 96.11143       15.40057 76.37092       23.01921 112.1070       20.72100 37.87053 6.440221 46.90316 4.571328 -9.032631      7.897689 
1 1 1 -27 3  2  o 42.42804 3.753905 90.68759       15.42918 96.75748       23.36579 85.99453       20.54557 43.08079 5.679220 40.75055 5.274449 2.330238       7.750700 
1 1 1 -27 3  3  o 28.00694 5.030682 40.97473       13.28425 52.19523       20.53804 32.90391       17.41854 30.97396 6.945913 24.63149 6.933110 6.342470       9.813956 
1 1 1 -27 3  4  o 35.98184 4.277145 66.00878       14.76968 52.72113       21.94054 77.01991       19.97281 30.97610 7.347918 38.45392 5.459578 -7.477823      9.154173 
1 1 1 -27 3  5  f 40.14917 3.926370 81.51752       15.23327 63.51942       22.14580 97.68147       20.98707 34.28008 6.839847 43.56810 5.012495 -9.288021      8.479895 
1 1 1 -27 3  6  o 38.61861 4.122749 75.73470       15.34364 57.69496       22.83058 90.59448       20.72087 32.40738 7.364994 41.87104 5.165150 -9.463661      8.995661 
1 1 1 -27 3  7  o 29.13363 5.094203 44.37161       13.99837 52.02241       20.91580 38.16414       18.83991 30.83862 7.079037 26.39715 7.126432 4.441467       10.04484 
1 1 1 -27 3  8  o 27.05890 5.417322 38.72256       13.84739 33.42945       20.42768 43.22267       18.83541 24.78689 7.653226 28.12173 6.896273 -3.334843      10.30196 
1 1 1 -27 3  9  o 9.045135 4.383230 -19.08946      12.01374 -9.909328      17.80138 -26.76781      16.28032 13.30543 6.088168 10.36752 5.042175 2.937905       7.905019 
1 1 1 -27 3  10 o 14.38007 5.857079 5.110737       12.96969 23.69323       18.99475 -11.11988      17.75207 21.57705 7.428173 13.08741 6.022061 8.489647       9.562581 
1 1 1 -27 3  11 o 28.26736 5.491910 42.31781       14.64779 40.81372       21.06802 43.72517       20.37933 27.11847 7.621995 28.11514 7.330914 -0.9966621     10.57531 
1 1 1 -27 3  12 o 62.11292 3.389921 193.1045       20.53186 164.2541       29.09966 221.7055       28.97363 56.34461 5.340033 66.01580 4.510931 -9.671192      6.990311 
1 1 1 -27 3  13 o 34.34127 4.710625 60.95562       15.41754 38.47387       21.74050 83.70070       21.86745 26.29701 7.849913 39.85612 5.773193 -13.55911      9.744275 
1 1 1 -27 3  14 o 49.65998 3.692864 124.3391       17.82199 136.8688       25.67020 112.6798       24.76251 51.41662 5.170712 46.41136 5.561465 5.005257       7.593824 
1 1 1 -27 3  15 o 23.08102 6.302143 28.97252       14.63540 15.34509       20.39922 43.42745       21.00944 19.37531 7.519670 27.83062 7.530787 -8.455315      10.64228 
1 1 1 -27 3  16 o 30.92028 5.453186 50.68896       15.90142 23.43406       21.12963 86.28467       24.14729 21.64223 7.800929 40.06335 6.370722 -18.42111      10.07177 
1 1 1 -27 3  17 o 11.88132 5.419419 -7.364664      13.96119 8.484914       18.47606 -28.45939      21.31510 17.11259 6.982924 12.34337 5.946213 4.769222       9.171624 
1 1 1 -27 3  18 o 9.368825 4.594701 -26.80354      14.36350 -17.98004      17.92978 -42.61000      23.99782 12.09393 5.721264 12.08629 5.929781 0.7642746E-02  8.239852 
1 1 1 -27 3  19 o 47.15948 5.405295 117.0867       24.50099 81.93000       53.15990 126.5690       27.60811 34.68937 12.38918 48.72936 5.908722 -14.04000      13.72607 
1 1 1 -27 3  20 o 14.18223 6.178128 -0.1991498     16.08637 31.86658       22.28738 -35.06984      23.24175 23.88329 8.049537 12.37992 6.021711 11.50337       10.05266 
1 1 1 -27 3  21 o 23.22891 6.920721 30.30729       16.91091 19.57262       23.29738 42.26220       24.58588 20.65445 8.030527 26.78398 8.416030 -6.129528      11.63267 
1 1 1 -27 3  22 o 16.87728 6.730379 10.57612       16.73470 3.485729       23.09171 18.41912       24.28633 17.18036 7.443765 20.46774 8.125654 -3.287373      11.01980 
1 1 1 -27 3  23 o 18.02371 6.907714 14.71080       17.05921 20.51719       23.47744 8.216068       24.83008 20.69602 8.057324 18.41138 7.843138 2.284639       11.24434 
1 1 1 -27 3  24 o 26.95360 6.851395 41.89601       18.11200 42.81853       25.00785 40.87825       26.26697 26.48110 8.507815 25.89015 8.738701 0.5909500      12.19622 
1 1 1 -27 3  25 o 22.31587 7.269146 28.57330       18.21773 21.35722       25.20740 36.46356       26.35867 20.98196 8.294656 24.67276 8.732944 -3.690792      12.04432 
1 1 1 -27 3  26 o 27.72353 7.467051 45.81018       20.71309 44.99000       30.94285 46.47609       27.88126 26.58261 9.456652 27.09564 9.001120 -0.5130310     13.05559 
1 1 1 -27 3  27 o 30.71783 8.120623 58.21705       24.78366 60.19991       28.34496 51.78000       51.07085 30.59046 8.919824 27.58083 11.46716 3.009630       14.52787 
1 1 1 -27 3  28 o 18.65399 7.345047 16.12311       19.69550 30.22004       28.07273 2.457833       27.63960 22.95274 8.844660 17.80267 7.912385 5.150068       11.86734 
1 1 1 -27 3  29 o 14.85100 6.637165 -1.857395      19.72917 -14.77069      27.65312 11.53004       28.15621 15.52839 7.270402 19.28972 8.287558 -3.761328      11.02462 
1 1 1 -27 3  30 o 15.03512 6.712193 -1.303915      20.12021 1.650833       27.65484 -4.626853      29.32730 17.57332 7.855624 17.12801 7.828617 0.4453049      11.09045 
1 1 1 -27 3  31 o 36.85795 7.523391 82.13523       26.22304 95.51974       30.41399 43.36000       51.76658 39.12575 8.204080 25.73242 11.14719 13.39333       13.84077 
1 1 1 -27 3  32 o 30.00573 8.434907 58.35682       25.79936 89.50290       30.44901 -20.91000      48.57549 37.40832 8.508420 19.19495 9.175169 18.21337       12.51307 
1 1 1 -27 3  33 o 21.89630 7.868775 29.00549       21.47993 46.30772       29.97238 10.73584       30.79889 26.01650 9.301498 19.27573 8.468840 6.740778       12.57931 
1 1 1 -27 3  34 o 28.94163 8.349649 55.11873       24.95763 73.39000       40.12529 43.58979       31.87342 30.43328 10.77450 25.10173 9.484187 5.331553       14.35408 
1 1 1 -27 3  35 o 35.45302 7.993501 80.46532       27.07482 108.4000       47.40699 66.94331       32.98307 35.36412 11.73678 30.03893 9.780699 5.325195       15.27789 
1 1 1 -27 3  36 o 32.45443 8.799971 72.13670       28.65277 40.42000       51.03913 86.73235       34.62350 24.22313 10.75982 34.36206 9.809792 -10.13893      14.56041 
1 1 1 -27 3  37 o 24.91284 8.285234 41.90229       23.62116 40.20993       33.45975 43.58369       33.35125 23.85711 9.515826 24.50678 9.585317 -0.6496677     13.50664 
1 1 1 -27 3  38 f 37.36850 6.933828 84.62228       24.42852 92.29495       34.03075 76.46558       35.08778 35.81536 9.537770 31.51722 10.07275 4.298145       13.87189 
1 1 1 -27 3  39 o 20.54488 8.373370 24.64199       26.52772 19.33325       32.07233 36.14000       47.20044 20.12640 8.746052 23.25052 10.33641 -3.124123      13.54012 
1 1 1 -27 3  40 o 36.93486 7.173675 84.57048       24.99986 79.92415       34.26263 89.86059       36.55928 32.24593 9.903679 33.90991 10.19287 -1.663982      14.21188 
1 1 1 -27 3  41 o 17.63334 7.533033 12.19967       23.02102 41.10497       32.80858 -15.83451      32.31042 23.78930 9.444323 15.91952 7.574135 7.869783       12.10631 
1 1 1 -27 3  42 o 16.49032 7.280017 5.933299       23.01569 14.02277       33.18274 -1.566491      31.95043 19.38237 8.638613 17.27280 7.994491 2.109575       11.77020 
1 1 1 -27 3  43 o 20.61137 8.145599 26.58619       24.30261 28.77567       34.58587 24.45075       34.15633 21.46886 9.203818 20.79867 9.032065 0.6701965      12.89529 
1 1 1 -27 3  44 o 16.87687 7.523328 6.229684       25.17994 25.36155       35.54592 -13.04035      35.67405 20.97266 9.159150 16.69297 7.946793 4.279684       12.12607 
1 1 1 -27 3  45 o 22.40193 8.504957 35.56075       25.70447 28.28345       35.68943 43.40435       37.05207 21.12167 9.201706 23.40844 9.752688 -2.286768      13.40844 
1 1 1 -27 3  46 o 17.02999 7.822335 3.712960       29.76901 -3.499157      36.20317 18.77000       52.31003 17.27314 8.158881 20.67881 9.779458 -3.405672      12.73598 
1 1 1 -27 3  47 o 17.21989 7.880606 6.292858       29.84255 7.480026       36.95074 4.066000       50.60731 18.26768 8.503598 19.26140 9.248809 -0.9937153     12.56390 
1 1 1 -27 4  1  o 92.88963 4.576618 437.1739       41.48384 401.7000       60.73315 468.2000       56.79833 86.88448 7.206065 94.85715 6.150452 -7.972672      9.473934 
1 1 1 -27 4  2  o 112.5716 3.132061 630.2632       34.47807 660.6900       50.98163 604.6182       46.80445 114.2398 4.568426 109.4258 4.378637 4.814018       6.327952 
1 1 1 -27 4  3  o 26.81004 5.438413 37.99320       13.78306 33.26169       21.02057 41.56163       18.25506 24.79408 7.780673 27.63502 6.796584 -2.840940      10.33114 
1 1 1 -27 4  4  o 23.66860 5.805005 29.95849       13.34468 34.43254       20.62021 26.73429       17.50466 25.14767 7.675354 22.46270 7.107101 2.684975       10.46049 
1 1 1 -27 4  5  o 54.33649 3.322009 147.5638       17.58401 151.0255       26.34157 144.7814       23.61617 54.26634 5.015864 53.33179 4.567889 0.9345551      6.784136 
1 1 1 -27 4  6  o 80.44780 3.094233 322.0978       24.31996 294.0216       34.89769 348.6086       33.91079 76.02479 4.712765 83.13435 4.180683 -7.109566      6.299862 
1 1 1 -27 4  7  o 56.49186 4.232265 161.5849       23.23253 169.9201       27.08866 138.4000       45.17860 57.64431 4.845742 48.91900 9.777267 8.725311       10.91220 
1 1 1 -27 4  8  o 76.27960 3.193921 290.0714       23.79451 261.0151       33.99867 317.9673       33.31285 71.47701 4.888910 79.28419 4.308778 -7.807175      6.516672 
1 1 1 -27 4  9  f 45.70352 3.745536 105.2799       16.60911 98.27205       24.11905 111.6004       22.90556 43.26719 5.844328 46.49988 5.116965 -3.232693      7.767851 
1 1 1 -27 4  10 o 34.98958 4.551699 62.93564       15.21986 89.73211       22.64954 40.87389       20.55136 41.34916 5.751596 27.16681 7.488240 14.18235       9.442171 
1 1 1 -27 4  11 o 81.91846 3.146862 334.4841       25.18589 316.9543       35.66867 351.9151       35.56799 78.90723 4.638566 83.33275 4.375844 -4.425514      6.376858 
1 1 1 -27 4  12 o 62.55101 3.310577 195.6770       20.19738 177.8269       28.41121 213.9149       28.71806 58.83061 4.980541 64.80161 4.556595 -5.971004      6.750433 
1 1 1 -27 4  13 o 26.93715 5.646561 38.76989       14.41138 23.98219       20.61040 52.91643       20.15864 21.80815 7.721917 31.09069 6.812697 -9.282539      10.29761 
1 1 1 -27 4  14 o 24.90575 6.135395 33.67399       14.85781 10.43446       20.82219 57.78119       21.20733 18.31484 7.435536 32.44633 6.890578 -14.13148      10.13742 
1 1 1 -27 4  15 o 36.33971 4.767560 68.41621       16.54975 56.94081       23.04915 80.62843       23.77760 31.87943 7.510760 38.64515 6.517499 -6.765720      9.944310 
1 1 1 -27 4  16 o 20.78852 6.484358 23.09060       14.62247 8.356594       19.94044 40.23041       21.50687 17.53972 7.216650 26.71682 7.763848 -9.177092      10.59988 
1 1 1 -27 4  17 o 12.80330 5.717426 -4.159844      14.60912 0.3267920      18.64738 -11.29000      23.50752 15.37592 6.675416 15.23949 6.981791 0.1364317      9.659534 
1 1 1 -27 4  18 o 36.12685 6.503323 71.19882       22.15144 53.92000       49.53225 75.51849       24.76604 30.13125 11.71101 36.87436 7.119428 -6.743113      13.70525 
1 1 1 -27 4  19 o 46.46391 4.165003 110.5766       18.74177 108.9062       25.94125 112.4005       27.10690 45.05193 6.034225 45.65189 6.228435 -0.5999565     8.672097 
1 1 1 -27 4  20 o 54.76471 3.835875 152.5825       20.43226 165.8453       28.78914 139.1217       29.00321 56.16541 5.299293 50.97509 5.922907 5.190327       7.947536 
1 1 1 -27 4  21 o 49.34541 4.274058 125.4635       20.44062 117.1330       28.80393 133.9147       29.01200 46.16858 6.558079 49.77002 6.081473 -3.601433      8.943865 
1 1 1 -27 4  22 o 28.65047 6.471744 46.05517       17.71939 39.51260       24.21823 53.59230       25.99390 25.83845 8.378631 29.77203 8.499957 -3.933577      11.93527 
1 1 1 -27 4  23 o 21.85394 7.099405 26.91662       17.38317 33.07994       23.67012 19.70082       25.61152 23.88384 8.288794 20.81742 8.318019 3.066420       11.74281 
1 1 1 -27 4  24 o 28.08495 6.814842 45.41222       18.54145 28.71701       25.56301 63.94598       26.93381 22.75015 8.515350 32.27500 8.433755 -9.524851      11.98497 
1 1 1 -27 4  25 o 77.00092 3.594968 302.2877       27.02071 254.6533       37.03827 356.4843       39.50723 68.78899 5.547818 82.20926 4.932322 -13.42027      7.423347 
1 1 1 -27 4  26 o 29.98935 6.859898 52.13697       19.69868 51.75225       27.69326 52.53100       28.02601 28.48124 8.929609 28.65300 8.983044 -0.1717625     12.66621 
1 1 1 -27 4  27 o 17.29398 7.208200 9.665746       20.25253 19.54000       30.86762 2.202169       26.83641 21.21837 8.875486 17.60204 7.811385 3.616335       11.82337 
1 1 1 -27 4  28 o 17.56913 7.512864 7.966443       22.93787 1.390364       25.89578 31.92000       49.42315 17.19460 7.649435 24.78869 10.81334 -7.594091      13.24546 
1 1 1 -27 4  29 o 11.84246 5.685990 -21.75068      19.11885 -14.76196      25.51939 -30.69190      28.86491 14.88654 6.974523 14.29482 6.894635 0.5917273      9.807137 
1 1 1 -27 4  30 o 17.74816 7.630728 8.252498       23.90248 -9.559794      27.12698 70.10000       50.54784 15.92953 7.370530 29.69868 11.74422 -13.76914      13.86547 
1 1 1 -27 4  31 o 23.21882 8.397022 33.31582       24.50717 22.73079       28.18719 66.10000       49.60642 21.08218 8.616534 28.79399 11.55214 -7.711811      14.41168 
1 1 1 -27 4  32 o 25.99150 7.967879 42.85002       22.19049 15.63982       30.22248 74.67757       32.68631 20.00733 8.590919 32.75251 9.586546 -12.74519      12.87267 
1 1 1 -27 4  33 o 22.43726 8.414391 30.83831       24.98543 63.02000       40.93959 11.73722       31.54046 28.55867 10.75789 19.53918 8.577850 9.019484       13.75906 
1 1 1 -27 4  34 o 48.11185 5.919240 131.0200       27.28869 133.1000       44.77296 129.7906       34.42094 42.08440 10.81199 45.49352 8.022885 -3.409119      13.46350 
1 1 1 -27 4  35 o 25.85584 8.080157 44.08687       22.69398 31.99953       31.39125 57.32084       32.84644 22.50155 9.131705 27.71319 9.753961 -5.211637      13.36143 
1 1 1 -27 4  36 o 37.66758 8.187451 92.17192       29.32370 72.16000       52.90970 101.0440       35.22921 27.94242 11.64898 37.67006 9.544490 -9.727634      15.05974 
1 1 1 -27 4  37 o 19.62471 8.290015 18.82959       27.34809 -6.547000      50.99881 29.07244       32.40066 19.84266 9.461709 21.84316 9.111784 -2.000498      13.13577 
1 1 1 -27 4  38 f 14.76600 6.795835 -5.556578      22.62318 -20.55173      31.71619 9.975708       32.27925 15.47715 7.402356 18.94626 8.476929 -3.469109      11.25403 
1 1 1 -27 4  39 o 14.59817 6.879667 -12.86440      25.47391 -5.888029      30.59231 -28.64000      46.00343 16.60684 7.732820 17.52379 8.511837 -0.9169483     11.49991 
1 1 1 -27 4  40 o 36.89528 7.972598 88.66353       27.95061 91.94382       33.94778 81.76000       49.24817 35.36932 9.573681 29.15120 11.57166 6.218126       15.01861 
1 1 1 -27 4  41 o 30.35234 7.967528 61.13353       23.96682 73.36839       33.70988 48.62737       34.08158 30.72398 9.878407 25.15834 9.731812 5.565641       13.86691 
1 1 1 -27 4  42 o 26.43771 8.217175 48.02144       23.50452 37.27335       33.12884 58.91556       33.35313 22.97088 9.359149 27.31538 9.806606 -4.344501      13.55593 
1 1 1 -27 4  43 o 19.52216 7.932045 21.82713       23.71805 34.92871       33.98669 9.388944       33.11506 22.41663 9.340097 18.63789 8.440260 3.778744       12.58870 
1 1 1 -27 4  44 o 13.70601 6.554828 -18.19142      24.86044 -24.55978      34.73824 -11.50570      35.59329 15.52284 7.505729 16.77319 7.971526 -1.250345      10.94903 
1 1 1 -27 4  45 o 16.69942 7.715174 0.1349731E-01  29.56007 3.958072       35.79913 -8.439000      52.40406 18.12862 8.415396 19.06768 9.219510 -0.9390621     12.48272 
1 1 1 -27 4  46 o 14.26701 6.900727 -22.54702      29.42308 -57.97047      36.01295 48.57000       51.02699 13.44644 6.711711 23.20205 10.49510 -9.755616      12.45770 
1 1 1 -27 4  47 o 17.13396 8.103197 -2.931746      35.91799 0.000000       0.000000 -2.931746      35.91799 ?        ?        17.13396 8.103197 ?              ?        
1 1 1 -27 5  1  o 49.14668 3.965890 121.9144       18.91647 183.4000       44.54165 108.3844       20.89437 57.88099 8.081881 46.03664 4.702805 11.84435       9.350571 
1 1 1 -27 5  2  o 49.82156 3.437473 124.3363       16.66067 93.18421       24.85185 149.7663       22.45373 41.97591 6.237927 54.38346 4.251862 -12.40755      7.549176 
1 1 1 -27 5  3  o 37.23829 4.175408 70.56049       14.95750 71.60944       23.07696 69.80058       19.64198 36.48745 6.708569 36.46211 5.689146 0.2534485E-01  8.796094 
1 1 1 -27 5  4  o 16.29205 5.997894 11.47948       12.58532 14.36938       19.99038 9.581943       16.19848 19.17135 7.442986 16.82317 6.649658 2.348185       9.980781 
1 1 1 -27 5  5  o 31.94635 4.651783 52.66377       14.11921 53.14040       21.98519 52.32920       18.41976 31.05326 7.348232 31.24823 6.240743 -0.1949673     9.640716 
1 1 1 -27 5  6  o 43.69969 3.743876 96.26780       15.86008 108.2413       24.60609 87.75783       20.74421 45.55894 5.637959 41.12458 5.274637 4.434364       7.720645 
1 1 1 -27 5  7  f 45.25888 3.806885 103.3382       16.70856 101.3605       25.40023 104.8468       22.18394 43.83931 6.082942 45.05986 5.120409 -1.220554      7.951149 
1 1 1 -27 5  8  o 62.41843 3.252515 194.5640       19.80330 194.7063       29.36592 194.4454       26.81921 61.66833 4.905308 61.86226 4.459002 -0.1939316     6.629084 
1 1 1 -27 5  9  o 78.79316 3.117023 309.3106       23.99258 331.7845       36.03083 291.4067       32.15950 80.79842 4.574491 75.84270 4.350258 4.955727       6.312742 
1 1 1 -27 5  10 o 51.16676 3.550785 131.4891       17.67323 140.8718       26.31656 123.7814       23.85220 52.22005 5.218373 49.00707 5.044333 3.212978       7.257873 
1 1 1 -27 5  11 o 19.06025 6.258768 18.59509       13.49281 32.80801       20.01424 6.753526       18.26847 24.50529 7.576952 16.73646 6.898999 7.768831       10.24726 
1 1 1 -27 5  12 o 35.12481 4.626881 63.63383       15.52127 55.10769       22.07383 71.97187       21.82899 31.53803 7.295630 36.64686 6.313246 -5.108828      9.647967 
1 1 1 -27 5  13 o 28.26510 5.612054 42.60329       14.97890 51.53645       21.21554 33.72413       21.15132 30.47415 7.223282 24.75443 7.809852 5.719717       10.63812 
1 1 1 -27 5  14 o 35.00722 4.765548 63.54041       15.90606 74.37051       22.55095 52.81795       22.43860 37.13386 6.437431 30.68715 7.528050 6.446711       9.905153 
1 1 1 -27 5  15 o 30.81935 5.325265 50.20312       15.48384 39.84195       21.51707 61.33079       22.29876 26.60756 7.775298 33.31486 7.057885 -6.707296      10.50091 
1 1 1 -27 5  16 o 30.61602 6.040751 50.58625       17.45961 38.07117       23.10968 67.23000       26.65034 25.99686 8.158158 34.32933 8.068322 -8.332466      11.47403 
1 1 1 -27 5  17 o 14.59361 6.501152 -3.984019      18.76996 5.638000       46.30033 -5.876355      20.53288 23.14305 10.26585 14.94563 6.718055 8.197428       12.26866 
1 1 1 -27 5  18 o 62.93760 3.485890 199.6033       21.39096 170.2221       29.89761 230.4175       30.61803 56.94955 5.429010 66.86171 4.708467 -9.912163      7.186363 
1 1 1 -27 5  19 o 40.57180 4.597210 85.39185       17.93544 60.11297       24.69755 113.5986       26.08866 32.24145 7.890986 46.06469 5.922892 -13.82324      9.866525 
1 1 1 -27 5  20 f 55.64400 3.871822 157.7465       20.95667 146.7318       29.22948 169.3980       30.06250 52.40999 5.794360 56.57467 5.497965 -4.164677      7.987630 
1 1 1 -27 5  21 o 27.94415 6.435203 43.68460       17.23829 61.11984       23.61353 23.79125       25.22324 32.49022 7.566639 21.86365 8.394424 10.62657       11.30134 
1 1 1 -27 5  22 o 54.92236 4.846928 158.0781       25.78973 144.5082       29.31780 204.5000       54.22562 51.69485 5.899474 56.93192 10.10053 -5.237064      11.69720 
1 1 1 -27 5  23 o 43.84549 4.727738 101.1400       19.96975 73.59249       27.30048 132.8424       29.28703 35.02236 8.121818 49.12875 6.230122 -14.10639      10.23613 
1 1 1 -27 5  24 o 22.21353 7.221019 28.26941       17.98218 30.32384       24.63664 25.92699       26.30672 23.04921 8.407013 22.13619 8.553453 0.9130211      11.99331 
1 1 1 -27 5  25 o 24.92936 7.279524 36.62693       18.86667 29.11886       26.55697 44.27748       26.80779 22.81501 8.648761 26.61917 8.825599 -3.804161      12.35687 
1 1 1 -27 5  26 o 34.37726 6.113050 66.08810       19.81621 67.89840       28.11318 64.30051       27.93636 32.87043 8.629607 31.89395 8.706465 0.9764805      12.25857 
1 1 1 -27 5  27 o 23.03840 7.460495 31.38955       19.20518 32.89897       27.10337 29.86741       27.21744 23.54303 8.776964 22.85070 8.733326 0.6923237      12.38168 
1 1 1 -27 5  28 o 33.52286 7.152887 66.28853       22.75526 78.40000       34.18172 56.64905       30.49457 33.96733 9.762938 29.11408 9.398645 4.853251       13.55173 
1 1 1 -27 5  29 o 17.87121 7.606859 9.396584       23.32349 5.886529       26.36523 22.03000       50.01901 17.95188 7.862889 23.55565 10.54479 -5.603769      13.15362 
1 1 1 -27 5  30 o 14.44285 6.702323 -10.66318      22.68032 -16.64196      25.30967 13.71000       51.10183 14.54948 6.856946 22.65436 10.34670 -8.104880      12.41257 
1 1 1 -27 5  31 o 22.07749 7.776815 29.25095       20.88311 33.80742       27.47438 23.01667       32.13711 23.35271 8.809389 21.55251 9.038472 1.800200       12.62138 
1 1 1 -27 5  32 o 35.55430 7.438332 76.89448       25.05349 122.8000       39.27316 45.39371       32.53299 42.41902 9.673770 25.69743 9.608829 16.72159       13.63493 
1 1 1 -27 5  33 o 22.75287 8.370177 32.25793       24.50203 6.956000       38.74862 49.11500       31.62790 20.01088 9.088946 26.48621 9.544479 -6.475332      13.17976 
1 1 1 -27 5  34 o 30.23659 7.689359 57.80710       22.80614 52.95057       31.71362 63.00851       32.82034 27.09029 9.579932 29.30233 9.766758 -2.212038      13.68081 
1 1 1 -27 5  35 o 30.57761 7.749329 59.92911       23.21946 66.92858       31.85816 51.99778       33.91259 30.16833 9.593151 26.35392 9.819171 3.814404       13.72752 
1 1 1 -27 5  36 o 22.28993 8.137176 32.06233       23.08787 44.80192       32.68855 19.38082       32.61394 24.82907 9.550272 20.34169 8.829756 4.487379       13.00662 
1 1 1 -27 5  37 o 13.05783 6.371712 -32.97338      26.60622 -41.32000      49.45392 -29.57340      31.56342 17.40505 8.533764 14.66946 7.107795 2.735589       11.10612 
1 1 1 -27 5  38 o 21.28926 8.623992 27.58541       27.93899 11.07000       51.90554 34.32232       33.15119 21.23436 9.948009 22.73092 9.323627 -1.496561      13.63426 
1 1 1 -27 5  39 o 19.78014 7.883095 22.33824       22.94382 29.40208       31.85506 14.72337       33.07418 21.73956 9.048975 19.57914 8.681209 2.160425       12.53983 
1 1 1 -27 5  40 o 37.44300 8.039923 91.65780       28.58608 67.47809       34.43121 145.3000       51.28378 29.17870 10.00251 40.18948 12.07038 -11.01078      15.67623 
1 1 1 -27 5  41 o 14.66844 6.910374 -12.25735      25.66149 -23.16886      31.56106 9.027000       44.07978 15.08314 7.258302 20.08870 9.329667 -5.005566      11.82056 
1 1 1 -27 5  42 o 15.08682 6.902520 -2.637233      22.87374 -5.535363      32.70768 0.1369496      32.00061 16.92105 7.917440 17.40895 8.037421 -0.4878941     11.28211 
1 1 1 -27 5  43 o 42.31336 6.627198 108.3040       26.54784 86.91003       38.15757 128.3758       36.95971 32.17948 10.52276 42.63591 9.131339 -10.45642      13.93233 
1 1 1 -27 5  44 o 16.32002 7.563255 -2.660903      28.73453 3.380410       35.28282 -14.56000      49.51704 18.12266 8.392459 18.52100 8.956823 -0.3983364     12.27428 
1 1 1 -27 5  45 o 19.72603 8.501993 21.93175       29.81256 4.710864       36.39708 57.04000       51.96889 18.23602 8.472141 24.42776 10.85366 -6.191736      13.76878 
1 1 1 -27 5  46 o 21.93417 9.427518 36.85642       36.46256 0.000000       0.000000 36.85642       36.46256 ?        ?        21.93417 9.427518 ?              ?        
1 1 1 -27 5  47 o 28.25955 8.753245 61.34090       26.69721 67.93322       38.43803 55.19685       37.10818 26.59214 10.32175 24.53805 9.939305 2.054092       14.32928 
1 1 1 -27 6  1  o 107.9700 3.107679 580.0541       32.80902 529.6478       46.76772 628.9015       46.03879 102.1003 4.692191 111.6616 4.219841 -9.561279      6.310603 
1 1 1 -27 6  2  o 45.60724 3.603340 104.5758       15.95529 83.89693       24.58215 119.6289       20.97345 39.60261 6.571720 48.46375 4.471661 -8.861145      7.948789 
1 1 1 -27 6  3  o 79.03442 3.020481 310.7444       23.32375 296.5567       34.72595 322.4050       31.48171 76.35310 4.668770 80.00309 4.033188 -3.649986      6.169604 
1 1 1 -27 6  4  o 42.39019 3.806767 90.72314       15.62727 78.59950       24.14563 99.46202       20.49982 38.23724 6.695087 44.00087 4.839540 -5.763626      8.261074 
1 1 1 -27 6  5  o 43.65147 3.848025 96.24028       16.27340 111.4275       26.41009 86.94463       20.66190 46.03420 6.004095 40.91709 5.282033 5.117115       7.996814 
1 1 1 -27 6  6  o 44.72503 3.780544 100.9059       16.39563 99.79466       25.33764 101.7064       21.50481 43.46427 6.125279 44.40326 5.036694 -0.9389877     7.930153 
1 1 1 -27 6  7  o 33.25928 4.635335 57.04597       14.68095 81.59544       23.30436 40.89288       18.90357 39.14795 6.295033 27.28288 7.033713 11.86507       9.439309 
1 1 1 -27 6  8  o 56.93350 3.320510 162.1364       18.42426 205.5573       29.00346 132.7603       23.85597 63.46840 4.701988 50.87067 4.849584 12.59773       6.754787 
1 1 1 -27 6  9  o 95.87095 3.119049 457.8354       29.23055 428.2368       41.66656 486.5191       41.01758 91.73773 4.655384 98.07987 4.282843 -6.342140      6.325768 
1 1 1 -27 6  10 o 35.11781 4.410208 63.27068       14.82630 45.25526       21.97198 78.33118       20.08938 28.45823 7.701683 38.69489 5.455237 -10.23665      9.437984 
1 1 1 -27 6  11 o 36.02880 4.435979 66.63949       15.31401 67.23505       23.47084 66.19800       20.20811 35.01657 7.091213 35.22203 6.081205 -0.2054520     9.341646 
1 1 1 -27 6  12 o 28.40948 5.619766 43.03186       15.07374 26.96875       21.86606 57.57837       20.80823 22.79657 7.963242 32.46034 6.768552 -9.663773      10.45115 
1 1 1 -27 6  13 o 78.94453 3.190818 311.3764       24.60563 298.1623       34.82141 324.5546       34.77388 76.35682 4.681499 79.82627 4.468254 -3.469452      6.471610 
1 1 1 -27 6  14 f 14.18688 6.065883 1.432188       14.95007 4.838009       19.90838 -2.972000      22.63904 16.77517 7.079013 16.23778 7.191891 0.5373898      10.09137 
1 1 1 -27 6  15 o 42.91373 5.277684 96.25546       21.70261 59.13000       45.09719 107.4448       24.75804 31.23756 11.37726 45.12056 5.735190 -13.88299      12.74106 
1 1 1 -27 6  16 o 14.94884 6.134919 5.531178       14.36298 15.14722       20.36237 -3.990909      20.26265 19.23740 7.499695 15.17402 6.757526 4.063372       10.09503 
1 1 1 -27 6  17 o 56.45790 3.664800 161.1209       20.14318 176.2183       29.19821 147.4104       27.82491 58.15595 5.183544 52.99392 5.441372 5.162029       7.515162 
1 1 1 -27 6  18 o 15.77723 6.330676 8.128529       14.89962 -0.5382315E-01 21.00926 16.40817       21.13379 16.04423 7.023358 19.59379 7.639921 -3.549555      10.37767 
1 1 1 -27 6  19 o 17.71488 6.605732 14.38457       15.35416 7.986117       21.39782 21.17576       22.04474 17.68426 7.392896 20.89807 7.889357 -3.213804      10.81189 
1 1 1 -27 6  20 o 21.44439 6.856468 25.34957       16.25641 22.29673       22.18820 28.88737       23.88560 21.11876 7.927415 23.02469 8.294752 -1.905939      11.47374 
1 1 1 -27 6  21 o 28.07163 6.373714 44.08278       17.11189 15.23199       22.77018 81.51889       25.93779 19.44234 7.817516 37.82525 7.269655 -18.38291      10.67527 
1 1 1 -27 6  22 o 21.77211 6.963827 26.67573       16.76831 39.47791       22.77466 11.51983       24.77999 25.75397 8.101167 19.00351 7.950876 6.750462       11.35101 
1 1 1 -27 6  23 o 34.83144 5.630223 66.13318       18.54112 59.23659       25.34598 74.07189       27.19363 31.22251 8.192419 35.12182 8.078605 -3.899313      11.50563 
1 1 1 -27 6  24 o 20.74171 7.173644 23.79598       17.72286 22.43213       23.90827 25.45957       26.40517 21.03591 8.147201 22.03060 8.553904 -0.9946861     11.81297 
1 1 1 -27 6  25 o 23.62360 7.307139 32.77976       18.61214 -3.048370      25.46371 73.87828       27.27235 16.53891 7.453700 34.84618 8.143054 -18.30727      11.03934 
1 1 1 -27 6  26 o 68.94991 3.771765 244.2483       25.35872 225.1941       35.21153 264.7801       36.55127 64.34888 5.647555 70.13915 5.364684 -5.790268      7.789397 
1 1 1 -27 6  27 o 29.46076 6.997051 51.03358       19.87583 30.34616       26.97430 75.60788       29.39934 22.90487 8.708608 34.53378 8.702169 -11.62891      12.31128 
1 1 1 -27 6  28 o 36.84074 7.089787 79.48388       24.63841 72.86448       28.14408 101.2000       50.97639 33.98889 8.486039 35.28921 12.16803 -1.300316      14.83489 
1 1 1 -27 6  29 o 60.96179 4.978963 198.9298       29.45147 219.1993       34.45115 143.9000       56.76493 63.28141 5.620275 41.68273 12.73728 21.59868       13.92213 
1 1 1 -27 6  30 o 16.48753 7.103654 5.904096       20.79802 -8.194065      26.54174 28.33195       33.47665 15.88325 7.328326 22.66589 9.340745 -6.782644      11.87240 
1 1 1 -27 6  31 o 52.27974 6.617889 157.3918       33.10803 220.4000       42.21520 56.71000       53.36371 61.13828 7.191613 27.26171 11.55111 33.87657       13.60689 
1 1 1 -27 6  32 o 24.50648 8.342030 38.72650       23.94012 29.52000       35.74540 46.21513       32.23844 22.74491 9.535051 25.82935 9.583282 -3.084438      13.51875 
1 1 1 -27 6  33 o 30.35252 7.538562 57.32235       22.29549 36.96492       30.09650 82.08184       33.19138 23.79230 9.160604 34.22139 9.548326 -10.42908      13.23205 
1 1 1 -27 6  34 o 17.48453 7.336561 11.80594       21.19208 32.37440       28.46605 -13.76737      31.74095 22.58947 8.849599 16.26752 7.670384 6.321945       11.71111 
1 1 1 -27 6  35 o 18.84840 7.582462 18.24577       21.43286 31.68810       28.96081 1.968474       31.86872 22.31285 8.868363 17.93851 8.184445 4.374336       12.06785 
1 1 1 -27 6  36 o 41.72552 5.951947 100.2043       23.62077 91.52106       32.65524 109.7332       34.20849 36.07903 9.215061 40.11717 8.940254 -4.038143      12.83922 
1 1 1 -27 6  37 o 23.07199 8.185612 35.08952       23.16983 60.25845       32.67545 9.636259       32.85949 28.18811 9.740958 18.98595 8.519271 9.202164       12.94080 
1 1 1 -27 6  38 o 19.18609 8.200618 16.86298       27.30753 -33.87000      48.69536 40.13629       32.98158 17.62968 8.606395 23.71701 9.451674 -6.087322      12.78296 
1 1 1 -27 6  39 o 27.50120 9.093421 55.06256       28.46501 24.17000       50.60321 69.36244       34.42843 22.14363 10.18125 29.70584 10.00458 -7.562204      14.27408 
1 1 1 -27 6  40 o 15.94284 7.139175 2.525366       22.94726 -21.53767      32.16425 27.47024       32.74830 15.37402 7.379887 21.37028 9.051600 -5.996257      11.67879 
1 1 1 -27 6  41 o 15.32983 7.155406 -8.204708      26.44800 1.085934       32.89199 -25.20000      44.48685 17.74585 8.177037 17.41139 8.436825 0.3344612      11.74921 
1 1 1 -27 6  42 o 19.37494 8.262476 19.05794       27.60836 5.427762       34.46445 43.47000       46.12355 18.37144 8.430436 23.67712 10.38438 -5.305676      13.37563 
1 1 1 -27 6  43 o 25.04853 9.145894 47.02560       29.16874 40.67558       36.05726 59.05000       49.61775 23.34399 9.664230 25.44158 10.96688 -2.097589      14.61745 
1 1 1 -27 6  44 o 27.53687 9.402478 59.47424       30.41747 86.02061       37.57168 8.979000       51.81831 31.75700 10.44486 20.31338 9.643725 11.44362       14.21606 
1 1 1 -27 6  45 o 14.29224 6.940886 -26.32270      30.55186 -27.69000      58.09048 -25.79988      35.92121 18.44154 9.082882 15.46613 7.514468 2.975412       11.78838 
1 1 1 -27 6  46 o 12.27824 6.101179 -45.84019      28.40689 -40.40000      47.00747 -48.96974      35.65334 16.21984 8.022436 13.78960 6.849314 2.430246       10.54858 
1 1 1 -27 6  47 o 15.84901 7.618041 -13.41176      34.53500 -19.08000      46.95452 -6.732000      50.97221 17.20636 8.410803 18.36056 8.927776 -1.154207      12.26568 
1 1 1 -27 7  1  o 60.47208 4.182223 185.0271       24.60281 147.7000       36.25158 216.9000       33.49853 52.29276 7.279449 64.85808 5.323425 -12.56532      9.018272 
1 1 1 -27 7  2  o 56.37364 3.299877 158.8926       18.12913 131.5865       27.90612 178.8322       23.84671 50.18396 5.786899 59.47404 4.121829 -9.290077      7.104764 
1 1 1 -27 7  3  o 32.69717 4.689092 55.22176       14.57845 46.63381       23.48819 60.60324       18.59328 28.84365 8.026529 33.83499 5.824218 -4.991335      9.916990 
1 1 1 -27 7  4  o 16.91947 6.098991 13.05564       12.91586 39.23287       21.57681 -1.562035      16.12369 26.60404 7.789374 14.09114 6.160955 12.51289       9.931351 
1 1 1 -27 7  5  o 28.92950 5.263484 44.02668       14.35571 44.62931       22.61361 43.61988       18.57971 28.26102 7.879871 28.24764 6.801574 0.1338005E-01  10.40931 
1 1 1 -27 7  6  f 38.44045 4.179589 75.26277       15.47348 107.0993       25.06026 55.64669       19.67110 45.19745 5.797920 32.10472 6.483256 13.09273       8.697614 
1 1 1 -27 7  7  f 52.95354 3.455950 140.6120       17.81514 158.7062       28.23619 128.6456       22.96246 55.42308 5.268136 50.11331 4.737456 5.309765       7.084966 
1 1 1 -27 7  8  o 45.81542 3.725675 105.8484       16.56385 91.28867       25.57477 116.3687       21.73944 41.28440 6.547001 47.64000 4.724137 -6.355606      8.073456 
1 1 1 -27 7  9  o 35.49508 4.438173 64.67577       15.08373 56.18616       22.93864 71.14308       20.02102 31.78391 7.495736 36.70333 5.762435 -4.919420      9.454720 
1 1 1 -27 7  10 o 26.89099 5.549291 38.54471       14.12200 43.98957       21.72009 34.55739       18.58700 28.02603 7.687619 25.04705 7.199329 2.978975       10.53232 
1 1 1 -27 7  11 o 37.88695 4.347222 73.54519       15.82988 73.94955       23.68681 73.21883       21.27981 36.86539 6.815167 37.04781 6.078756 -0.1824112     9.132237 
1 1 1 -27 7  12 f 21.11848 6.310915 23.95406       14.04570 13.13920       20.91257 32.84195       18.95817 18.95358 7.535102 24.40283 7.341084 -5.449249      10.51995 
1 1 1 -27 7  13 o 14.79747 6.178526 4.006943       14.91835 8.605492       20.99116 -0.6862000     21.20595 17.92040 7.391971 16.13807 7.060498 1.782335       10.22213 
1 1 1 -27 7  14 o 30.01595 6.729115 49.60831       19.28079 33.60000       43.33913 53.55849       21.52861 26.66225 10.76235 30.98111 7.231556 -4.318859      12.96624 
1 1 1 -27 7  15 o 12.05798 5.462334 -6.184355      13.88368 -1.065297      19.88518 -11.05318      19.39306 15.56106 6.821799 13.70133 6.300792 1.859734       9.286384 
1 1 1 -27 7  16 o 24.57760 6.338744 33.23912       15.34850 26.55974       22.21338 39.34135       21.23199 22.52349 8.012457 26.32467 7.732165 -3.801186      11.13489 
1 1 1 -27 7  17 o 57.88616 3.604101 169.3607       20.31974 152.1106       29.05609 185.8721       28.42712 53.65436 5.615638 59.87220 4.893312 -6.217838      7.448483 
1 1 1 -27 7  18 o 23.00972 6.679255 29.44233       15.92554 20.90884       22.95570 37.36023       22.11219 21.00467 8.022288 25.51306 7.976344 -4.508390      11.31279 
1 1 1 -27 7  19 o 64.45059 3.604639 210.4031       22.64962 200.8072       32.69370 219.2589       31.40780 61.62425 5.477084 64.81448 4.988981 -3.190224      7.408669 
1 1 1 -27 7  20 o 12.68722 5.768368 -6.617687      15.65649 -22.89353      21.86877 10.49657       22.42496 12.99705 6.197023 18.36490 7.613853 -5.367845      9.817019 
1 1 1 -27 7  21 o 16.05814 6.543313 8.223964       16.19501 34.49456       22.34556 -20.84306      23.50481 24.34159 8.057205 13.78599 6.530274 10.55560       10.37126 
1 1 1 -27 7  22 o 20.03199 6.916336 21.74129       16.47150 24.31165       22.16621 18.57187       24.61407 21.36963 7.943075 20.34967 8.146563 1.019960       11.37800 
1 1 1 -27 7  23 o 26.56741 6.807065 40.77479       17.77996 22.74210       23.92345 63.02505       26.57426 21.11709 8.157573 32.03102 8.380831 -10.91393      11.69548 
1 1 1 -27 7  24 o 12.75684 5.881585 -9.070186      17.05231 -2.478013      22.82174 -17.40264      25.65788 15.86503 7.110814 14.76772 6.942427 1.097306       9.937856 
1 1 1 -27 7  25 o 42.92441 4.925629 98.20564       20.32080 77.77954       27.01716 124.8140       30.83588 35.93390 7.897110 46.69407 6.958866 -10.76017      10.52569 
1 1 1 -27 7  26 o 29.19819 6.862935 49.77155       19.28089 29.23598       25.20330 78.74873       29.93865 22.56680 8.453480 35.30011 8.717139 -12.73330      12.14289 
1 1 1 -27 7  27 o 27.28650 8.001397 46.14743       22.75243 36.75328       25.79508 79.07000       48.28976 24.37707 8.638049 31.72866 11.73679 -7.351593      14.57285 
1 1 1 -27 7  28 o 22.85406 8.160716 31.23880       23.06401 34.72197       26.27155 19.53000       48.16753 23.79813 8.681280 23.10711 10.34562 0.6910229      13.50542 
1 1 1 -27 7  29 o 27.03613 7.561889 44.78853       20.79053 39.77531       26.88415 52.24762       32.79294 24.95582 8.820821 27.59286 9.743044 -2.637035      13.14282 
1 1 1 -27 7  30 o 33.50817 7.458479 68.18322       23.83329 53.92000       34.02232 81.92702       33.39710 27.63731 9.906628 34.56685 9.552780 -6.929541      13.76215 
1 1 1 -27 7  31 o 17.00669 7.374695 6.557952       22.70380 13.75000       32.37088 -0.4051497     31.85147 20.02944 8.744010 18.02297 8.207246 2.006474       11.99236 
1 1 1 -27 7  32 o 16.20065 7.255118 0.5368702      23.70304 11.01368       27.90025 -26.64000      44.93589 18.79017 8.161453 18.03342 8.673614 0.7567520      11.90970 
1 1 1 -27 7  33 o 34.18661 6.931061 70.08663       22.39848 53.57345       30.06605 90.68080       33.57633 27.51653 9.348881 36.16611 9.399672 -8.649580      13.25728 
1 1 1 -27 7  34 o 16.32830 7.090948 6.332279       21.05378 24.81286       28.28294 -16.63542      31.53011 20.97277 8.608213 15.88506 7.535924 5.087712       11.44078 
1 1 1 -27 7  35 o 36.09790 6.707794 77.92654       22.82884 90.81986       31.15659 62.98043       33.54530 36.62341 8.801028 28.78905 9.872860 7.834360       13.22617 
1 1 1 -27 7  36 o 22.17793 7.944879 31.72260       21.87841 22.08090       29.39163 43.70367       32.76384 20.38391 8.601587 24.51188 9.525270 -4.127962      12.83425 
1 1 1 -27 7  37 o 31.81702 7.444134 63.87478       22.76943 48.31342       30.89532 82.37563       33.68718 25.67416 9.406580 33.34759 9.724231 -7.673426      13.52939 
1 1 1 -27 7  38 o 29.20571 9.066793 61.67396       28.62573 29.88000       49.72063 77.43777       35.01023 22.63373 10.28630 31.44990 10.06271 -8.816174      14.38979 
1 1 1 -27 7  39 o 14.57293 6.951053 -18.13305      27.56889 -24.83000      49.68056 -15.15316      33.13961 18.24249 8.857354 16.16240 7.684282 2.080090       11.72608 
1 1 1 -27 7  40 o 14.72966 6.801709 -5.716310      22.93262 -4.227192      31.79093 -7.331826      33.11269 16.96538 7.894065 16.89472 7.924743 0.7065773E-01  11.18561 
1 1 1 -27 7  41 o 22.27034 8.257119 33.10868       23.92574 46.40591       32.93860 18.25653       34.81121 24.73378 9.567329 20.11232 8.912527 4.621462       13.07543 
1 1 1 -27 7  42 o 19.80964 8.389420 21.40309       28.12561 24.30201       33.66244 14.70000       51.18763 20.71225 8.980698 20.97441 9.843047 -0.2621593     13.32436 
1 1 1 -27 7  43 o 14.79392 7.060554 -17.16220      28.53056 -24.57070      34.51546 -1.180000      50.69516 15.50516 7.493388 19.68884 9.400828 -4.183685      12.02192 
1 1 1 -27 7  44 f 14.81046 6.937855 -8.252460      25.23608 -29.26479      37.77217 8.689290       33.91673 15.66555 7.632608 18.42936 8.421708 -2.763810      11.36582 
1 1 1 -27 7  45 o 15.67934 7.327141 -4.855669      27.86588 31.33000       47.25937 -24.14158      34.50163 21.57870 9.891001 15.26230 7.403574 6.316391       12.35495 
1 1 1 -27 7  46 o 18.64616 7.941072 19.68275       25.44236 1.886621       36.34843 36.77691       35.62435 17.59301 8.268266 21.74350 9.331615 -4.150490      12.46769 
1 1 1 -27 8  1  o 43.35227 3.765018 94.86585       15.81835 81.84966       25.70774 102.7966       20.06688 38.82642 7.022868 44.79737 4.643641 -5.970955      8.419268 
1 1 1 -27 8  2  o 45.80111 3.653658 105.6316       16.24416 93.96425       26.33238 112.7994       20.63930 41.86192 6.648372 46.98806 4.544106 -5.126144      8.052934 
1 1 1 -27 8  3  o 76.27110 3.036750 289.6531       22.62592 288.3199       34.78990 290.6303       29.78557 75.17548 4.752248 75.91409 4.022819 -0.7386093     6.226310 
1 1 1 -27 8  4  o 43.74346 3.857019 96.73258       16.34573 81.82388       25.80456 106.7236       21.12428 38.79316 7.055543 45.57568 4.807596 -6.782524      8.537779 
1 1 1 -27 8  5  o 19.45928 6.226610 19.65414       13.40488 14.07082       21.56524 23.16985       17.11253 19.43135 7.675059 21.14552 7.052487 -1.714170      10.42325 
1 1 1 -27 8  6  o 40.76626 3.932558 84.23680       15.49760 85.73862       24.25903 83.20127       20.14400 40.05354 6.403210 39.97752 5.276530 0.7601929E-01  8.297160 
1 1 1 -27 8  7  o 40.36346 3.960951 82.65698       15.44796 101.3697       24.72543 70.67545       19.78478 43.86021 5.909482 36.60379 5.708186 7.256416       8.216166 
1 1 1 -27 8  8  o 74.43789 3.138436 276.4470       22.81592 285.0334       34.95831 270.0753       30.11405 74.64259 4.810342 73.00864 4.232084 1.633949       6.407022 
1 1 1 -27 8  9  o 49.65039 3.651036 124.2077       17.61965 113.6621       26.78670 132.2502       23.39263 46.35336 6.047894 50.74261 4.765552 -4.389259      7.699838 
1 1 1 -27 8  10 o 26.09700 5.844974 36.68746       14.55892 32.82753       22.31785 39.54692       19.20898 24.50941 8.049474 26.68368 7.192496 -2.174267      10.79472 
1 1 1 -27 8  11 o 18.49306 6.589006 16.45056       15.02740 16.15479       21.18657 16.75000       21.31795 19.74847 7.663714 19.92614 7.699735 -0.1776714     10.86363 
1 1 1 -27 8  12 o 39.14418 6.118709 81.90428       22.67711 52.84000       44.86116 91.88000       26.28226 30.13391 11.28028 41.14038 6.761294 -11.00648      13.15142 
1 1 1 -27 8  13 o 17.68342 6.395913 14.63433       14.21882 11.39733       21.93354 16.98079       18.67429 18.77044 7.627370 19.37807 7.272934 -0.6076317     10.53909 
1 1 1 -27 8  14 o 15.86766 6.208286 9.208619       13.99450 -2.638964      20.89651 18.84369       18.84458 15.64203 6.919701 19.91568 7.338099 -4.273647      10.08613 
1 1 1 -27 8  15 o 40.63123 4.384157 84.92911       17.16050 78.52179       25.31083 90.37996       23.34536 37.62242 7.134098 41.11674 5.975421 -3.494316      9.305966 
1 1 1 -27 8  16 o 28.38193 6.003048 43.90141       16.15542 25.14812       23.53435 60.61395       22.21695 22.23258 8.198996 32.88611 7.109366 -10.65353      10.85203 
1 1 1 -27 8  17 o 21.36338 6.741553 24.92270       15.75972 35.02495       22.95131 15.91000       21.67835 24.82702 8.163385 19.55888 7.704515 5.268143       11.22499 
1 1 1 -27 8  18 f 20.29045 6.776619 22.03378       15.79904 26.32734       23.04157 18.22398       21.70474 22.32725 8.132341 20.05835 7.764287 2.268906       11.24363 
1 1 1 -27 8  19 o 12.63012 5.723968 -6.001916      15.26521 -14.85604      21.81539 2.492841       21.36808 13.94888 6.506779 16.50071 7.154882 -2.551821      9.671117 
1 1 1 -27 8  20 o 19.35784 6.904621 19.33125       16.50587 22.83130       23.52742 15.93893       23.16250 21.32053 8.126754 19.65174 7.890514 1.668791       11.32715 
1 1 1 -27 8  21 o 18.57451 6.884961 16.98602       16.63250 29.01499       23.21824 4.306513       23.83780 22.74578 8.180116 17.41091 7.553268 5.334869       11.13401 
1 1 1 -27 8  22 o 12.68780 5.841698 -8.858051      16.73990 -20.37267      23.83657 2.347326       23.51430 13.87214 6.572588 16.91349 7.416359 -3.041358      9.909657 
1 1 1 -27 8  23 o 49.28406 4.382961 126.6886       20.92334 93.90252       28.23889 166.5979       31.15585 40.13442 7.462882 55.30341 5.843754 -15.16899      9.478611 
1 1 1 -27 8  24 o 21.24311 7.305878 25.49892       18.37298 -0.8186636     24.13842 61.74555       28.32824 16.48802 7.356977 31.15685 8.866249 -14.66883      11.52109 
1 1 1 -27 8  25 f 16.52337 6.826979 8.916924       17.94476 -0.6719125     23.27905 22.95855       28.17026 16.20304 7.227655 21.48896 8.675880 -5.285925      11.29203 
1 1 1 -27 8  26 o 24.26476 7.916199 35.77612       21.60110 28.45518       24.26629 63.72000       47.40928 22.27528 8.304789 29.26258 11.43330 -6.987299      14.13117 
1 1 1 -27 8  27 o 21.37223 7.880178 25.87669       21.73787 7.142847       24.41228 97.60000       47.76669 17.72340 7.666372 35.19064 11.78365 -17.46724      14.05801 
1 1 1 -27 8  28 o 48.53605 4.763999 125.5213       22.34173 87.69636       28.53719 185.4178       35.91057 37.86426 7.953148 57.13629 6.538648 -19.27203      10.29595 
1 1 1 -27 8  29 o 38.79157 5.779823 83.85706       21.27713 68.55059       27.81155 105.4600       33.04030 32.59617 8.595430 40.84941 8.538630 -8.253235      12.11568 
1 1 1 -27 8  30 o 18.27482 7.497660 14.11682       21.44442 4.857000       29.48662 24.51299       31.24355 18.27948 8.145420 21.68787 8.988904 -3.408394      12.13047 
1 1 1 -27 8  31 f 20.59804 7.769990 24.22887       21.37319 9.352392       28.53825 43.23172       32.25423 18.65607 8.175666 25.19452 9.535848 -6.538446      12.56081 
1 1 1 -27 8  32 o 17.61826 7.576121 9.297700       23.56893 -5.855000      34.40427 22.69755       32.35320 17.81078 8.261642 21.28310 9.004929 -3.472319      12.22062 
1 1 1 -27 8  33 o 13.18030 6.319383 -21.88612      23.42875 -8.191588      27.47315 -58.40000      44.86047 15.86522 7.367256 15.88402 7.852826 -0.1879692E-01 10.76770 
1 1 1 -27 8  34 o 40.28921 6.037807 93.55169       23.07828 83.21045       31.45408 105.6103       33.96565 34.49317 9.162232 39.36053 9.010896 -4.867367      12.85079 
1 1 1 -27 8  35 o 35.36977 6.875996 75.82939       22.94770 80.89878       31.56653 70.14774       33.41849 33.69491 9.277747 30.38855 9.841335 3.306356       13.52511 
1 1 1 -27 8  36 o 31.31513 7.510766 62.32001       22.72534 60.84999       31.10602 64.00281       33.28107 28.56872 9.507906 28.87635 9.835631 -0.3076248     13.67991 
1 1 1 -27 8  37 f 42.67831 6.038939 105.4007       24.52358 99.54292       33.48937 112.1737       36.01092 37.74603 9.158565 39.87025 9.384398 -2.124222      13.11283 
1 1 1 -27 8  38 o 16.21432 7.179254 4.629331       22.54227 1.392231       30.70341 8.414769       33.20218 17.45263 7.989503 18.73845 8.471932 -1.285818      11.64499 
1 1 1 -27 8  39 o 24.41497 9.061259 43.14829       28.82592 -17.56000      50.57021 72.36760       35.08372 18.78806 9.077585 30.09489 10.09908 -11.30682      13.57918 
1 1 1 -27 8  40 o 31.63879 8.991081 71.72573       29.15144 53.37000       53.10522 79.64247       34.87584 24.95004 11.03453 31.82789 10.02679 -6.877850      14.90964 
1 1 1 -27 8  41 f 14.68464 6.804908 -6.376565      23.25525 -33.57225      31.89266 24.50000       33.98249 14.29057 6.973855 20.85887 9.033845 -6.568303      11.41249 
1 1 1 -27 8  42 o 17.20584 7.979197 -1.085279      32.06408 -1.085279      32.06408 0.000000       0.000000 17.20584 7.979197 ?        ?        ?              ?        
1 1 1 -27 8  43 o 18.60484 8.151671 14.47894       28.35900 26.03939       34.80393 -8.360000      48.91914 20.92583 9.101985 18.90309 9.081042 2.022741       12.85735 
1 1 1 -27 8  44 o 19.01771 8.151336 18.94503       27.11794 45.63000       43.43058 1.893338       34.71731 23.42835 10.17929 17.73238 8.250426 5.695974       13.10296 
1 1 1 -27 8  45 o 19.67141 8.074872 24.42513       24.88999 -4.462963      35.04196 53.83952       35.35973 16.95485 8.014078 24.87831 9.827442 -7.923468      12.68085 
1 1 1 -27 8  46 o 15.01695 6.977878 -3.482179      24.70758 2.795337       35.06796 -9.670164      34.81699 17.52144 8.198292 16.32098 7.792212 1.200468       11.31064 
1 1 1 -27 9  1  o 40.52606 3.975656 83.33261       15.56791 61.13800       26.00295 95.73271       19.43620 32.89177 8.124916 43.18357 4.672526 -10.29181      9.372661 
1 1 1 -27 9  2  o 50.79296 3.507676 129.5714       17.33221 109.9575       28.06270 141.6675       22.03789 45.38577 6.502425 52.79015 4.302190 -7.404381      7.796818 
1 1 1 -27 9  3  o 57.97254 3.861962 169.5028       21.78978 175.9077       29.94979 162.3000       31.76070 58.31390 5.305066 55.63180 5.923569 2.682098       7.951880 
1 1 1 -27 9  4  o 64.39254 3.204020 207.1189       20.13125 208.7247       31.88772 206.0548       25.95822 63.63300 5.163927 63.77720 4.181238 -0.1442032     6.644463 
1 1 1 -27 9  5  o 43.25953 3.829122 94.66919       16.04661 86.60189       25.35590 100.0587       20.72482 40.06646 6.701858 44.04551 4.889376 -3.979050      8.295836 
1 1 1 -27 9  6  o 18.43467 6.204129 17.11040       13.23986 26.06256       21.41471 11.57110       16.84518 22.50216 7.879198 17.49187 6.820701 5.010292       10.42131 
1 1 1 -27 9  7  o 52.70740 3.498657 139.5956       17.94791 113.1257       27.20973 159.9826       23.87945 46.16199 6.176774 56.03446 4.388735 -9.872475      7.577172 
1 1 1 -27 9  8  o 18.89240 6.305821 18.20230       13.68039 15.95947       21.67874 19.68649       17.63525 19.83363 7.736545 20.03119 7.137782 -0.1975670     10.52626 
1 1 1 -27 9  9  o 16.71532 6.205279 12.19878       13.52015 21.69200       20.86046 5.322579       17.75381 21.13787 7.731858 16.16465 6.744074 4.973215       10.25983 
1 1 1 -27 9  10 o 15.10761 6.249032 5.017129       15.05806 29.28923       21.66159 -17.68000      20.94701 23.38121 7.935465 13.44359 6.305007 9.937623       10.13532 
1 1 1 -27 9  11 o 34.83193 5.800107 64.64024       19.08007 21.25000       43.89735 74.74703       21.18600 24.88616 10.50728 37.41546 5.986577 -12.52930      12.09305 
1 1 1 -27 9  12 o 38.48071 4.353689 76.05256       16.11089 71.07702       24.51480 79.83522       21.37502 35.77966 7.248504 38.76004 5.813042 -2.980381      9.291515 
1 1 1 -27 9  13 o 25.18268 6.009575 34.52783       14.60649 34.50318       22.50352 34.54577       19.20078 24.87723 8.077312 24.87694 7.365156 0.2918243E-03  10.93108 
1 1 1 -27 9  14 o 35.12318 4.763132 64.26305       15.95381 44.61674       24.89185 77.95995       20.78393 27.75964 8.425016 38.26313 5.725020 -10.50350      10.18611 
1 1 1 -27 9  15 o 59.86434 3.468001 180.6695       20.23441 188.3056       30.29085 174.5163       27.19102 60.04862 5.204848 58.04772 4.829277 2.000900       7.100166 
1 1 1 -27 9  16 f 15.37099 6.296234 6.445931       15.09198 -5.664318      22.68543 16.06149       20.21426 15.65386 7.046782 19.28124 7.484853 -3.627382      10.28009 
1 1 1 -27 9  17 o 39.19500 4.735504 80.23177       17.79998 63.63525       26.39364 94.07760       24.10738 32.86767 8.224636 41.68315 6.088192 -8.815483      10.23283 
1 1 1 -27 9  18 o 17.00255 6.627786 11.77973       15.90171 0.2931687E-01  23.29772 22.02830       21.75797 16.66732 7.342687 20.95693 7.853621 -4.289608      10.75148 
1 1 1 -27 9  19 o 8.972656 4.448355 -32.37565      14.76897 -37.60321      21.90349 -28.01759      19.99912 11.57361 5.675561 11.70212 5.667118 -0.1285067     8.020488 
1 1 1 -27 9  20 o 11.21874 5.300961 -14.56499      15.30724 6.394497       21.87269 -34.68373      21.42951 17.27345 7.359915 11.60970 5.676541 5.663754       9.294702 
1 1 1 -27 9  21 o 26.49750 6.883766 40.61033       18.01302 43.41755       25.79415 37.93819       25.16599 26.56923 8.649269 25.09265 8.552730 1.476582       12.16384 
1 1 1 -27 9  22 o 48.84657 4.483526 124.8199       21.19789 100.9729       29.06041 151.9374       30.98915 41.71144 7.388090 52.51989 6.144067 -10.80845      9.609029 
1 1 1 -27 9  23 o 29.60981 6.679211 50.40385       18.89586 33.68781       25.05719 72.44344       28.77182 23.82110 8.506032 34.07703 8.620809 -10.25594      12.11078 
1 1 1 -27 9  24 o 33.26538 6.322221 62.56121       19.83351 90.33820       26.71050 28.42451       29.61081 39.40410 7.190082 22.78210 8.995089 16.62200       11.51559 
1 1 1 -27 9  25 o 35.28389 7.037529 72.58149       23.45267 74.26778       26.49136 66.47000       50.43264 34.94847 7.926974 29.61687 11.72484 5.331600       14.15304 
1 1 1 -27 9  26 o 24.44595 8.023166 36.68548       22.17374 12.68124       24.80665 132.1000       49.45740 18.83482 7.922491 41.93166 11.63906 -23.09684      14.07954 
1 1 1 -27 9  27 o 48.44507 4.741759 124.9089       22.19749 135.2225       29.38465 111.2012       33.87632 49.02439 6.266622 42.21538 8.492719 6.809017       10.55447 
1 1 1 -27 9  28 o 33.11274 6.610693 63.56401       20.67554 60.25950       27.18448 68.09857       31.84461 30.45361 8.691751 31.58750 9.517025 -1.133888      12.88877 
1 1 1 -27 9  29 o 26.07509 7.862122 42.72213       21.72675 32.36000       30.20951 53.82487       31.27047 23.11208 9.097826 27.87327 9.533003 -4.761189      13.17758 
1 1 1 -27 9  30 o 17.77859 7.280000 13.19421       20.16811 8.210821       26.56382 19.97612       30.98879 18.13898 7.919801 20.80605 8.808505 -2.667070      11.84538 
1 1 1 -27 9  31 o 20.58019 7.731417 24.33565       21.11362 4.753429       28.14120 49.55493       31.93580 17.85947 7.957895 26.54129 9.587327 -8.681814      12.45973 
1 1 1 -27 9  32 o 47.73225 5.224043 125.2730       24.00943 111.4497       32.18776 142.6110       36.04813 41.95565 8.131450 47.74173 7.996514 -5.786076      11.40459 
1 1 1 -27 9  33 o 20.66390 8.026854 25.05391       23.25954 15.37000       33.36717 34.20729       32.44032 19.99094 8.797853 22.96306 9.296130 -2.972116      12.79923 
1 1 1 -27 9  34 o 16.45794 7.293764 4.263811       23.31917 1.352317       27.46171 11.79000       44.15270 16.95345 7.680915 20.71377 9.518837 -3.760323      12.23130 
1 1 1 -27 9  35 o 13.77570 6.430436 -9.902903      21.36607 -52.22433      29.38444 37.57409       31.12281 12.49065 6.206481 23.31546 9.216815 -10.82481      11.11171 
1 1 1 -27 9  36 o 32.07232 7.460647 65.00169       22.97841 71.98334       31.32276 56.86598       33.81264 31.37386 9.435621 27.18289 9.858660 4.190968       13.64640 
1 1 1 -27 9  37 o 25.81920 8.098482 45.02264       22.77558 33.56733       31.47284 57.61699       33.00050 22.43723 9.129512 27.27639 9.759130 -4.839159      13.36371 
1 1 1 -27 9  38 f 24.30394 8.176329 40.08591       22.99537 61.27793       31.85632 17.02996       33.22775 28.29578 9.623055 19.85723 8.757630 8.438557       13.01151 
1 1 1 -27 9  39 o 13.55966 6.418837 -14.34462      22.63828 -66.86528      31.12526 44.64511       32.98649 12.09250 6.065619 24.40974 9.537010 -12.31724      11.30249 
1 1 1 -27 9  40 o 16.90817 7.716577 1.310428       28.35562 -56.76000      50.56189 27.95351       34.24822 16.56311 8.214809 21.44907 9.176249 -4.885954      12.31611 
1 1 1 -27 9  41 o 17.90150 8.305311 0.9461425      34.79422 -19.75000      50.78881 19.25000       47.76334 18.48237 8.969583 21.12252 9.775700 -2.640144      13.26717 
1 1 1 -27 9  42 o 19.11672 7.939163 19.73945       24.44099 61.45466       34.64193 -21.60621      34.48815 27.36186 9.970688 15.72453 7.572152 11.63733       12.52007 
1 1 1 -27 9  43 o 23.62850 9.371238 43.08329       32.27260 40.92000       42.91190 45.90000       48.96560 22.97648 10.04824 23.51084 10.48524 -0.5343552     14.52265 
1 1 1 -27 9  44 o 14.94809 7.082470 -11.56083      27.68021 -9.563425      33.59942 -15.78000      48.83277 16.34757 7.762274 18.08071 8.779416 -1.733139      11.71883 
1 1 1 -27 9  45 o 18.97501 7.950532 21.39054       24.83264 24.13632       34.74897 18.52472       35.50039 20.02360 8.887198 19.36056 8.756038 0.6630363      12.47600 
1 1 1 -27 9  46 o 17.54711 7.907082 11.18783       28.64538 11.72353       34.99497 10.10000       49.86792 18.32918 8.441694 19.39876 9.279053 -1.069580      12.54444 
1 1 1 -27 10 1  o 65.22507 3.194854 212.6133       20.33520 170.4204       31.89747 241.5035       26.39442 57.02977 5.794472 69.17303 3.914217 -12.14326      6.992639 
1 1 1 -27 10 2  o 84.00485 3.086015 351.8968       25.33203 309.9396       37.85269 385.9304       34.09157 77.66159 5.006150 87.43762 3.993841 -9.776031      6.404085 
1 1 1 -27 10 3  o 26.19067 5.732231 36.82249       14.28633 50.87478       24.22454 29.32877       17.69011 29.93328 8.080844 23.21721 7.113570 6.716072       10.76582 
1 1 1 -27 10 4  o 31.45026 4.957575 51.66715       14.75675 57.00378       24.90770 48.78085       18.31768 31.69865 8.022101 29.94436 6.440895 1.754297       10.28782 
1 1 1 -27 10 5  o 33.78921 4.660921 59.10088       15.00526 41.71028       24.27757 69.85094       19.08769 27.15793 8.335784 36.40654 5.530025 -9.248606      10.00332 
1 1 1 -27 10 6  o 34.94349 4.547956 63.01286       15.18693 61.80882       24.64878 63.74964       19.28152 33.13327 7.740587 34.56850 5.910657 -1.435230      9.739227 
1 1 1 -27 10 7  o 21.76011 6.289412 25.61023       14.14860 14.77817       22.65150 32.54005       18.11767 19.74945 7.845170 24.29076 7.144723 -4.541304      10.61102 
1 1 1 -27 10 8  o 23.26405 6.304651 29.50510       14.71173 39.34347       22.63117 22.30485       19.36063 26.42370 8.036156 21.05983 7.481463 5.363874       10.97962 
1 1 1 -27 10 9  o 60.78953 3.900410 186.9653       23.08595 155.8582       30.62628 227.9000       35.13260 54.38314 5.845026 66.12677 5.476917 -11.74363      8.010053 
1 1 1 -27 10 10 o 45.57496 4.006597 105.6368       17.69170 65.55441       27.26809 134.7752       23.24937 33.74689 8.310789 51.17619 4.693490 -17.42930      9.544531 
1 1 1 -27 10 11 o 37.91002 4.400725 73.95133       16.02685 33.46677       24.38661 104.7311       21.26375 24.68072 8.419108 44.94300 4.913579 -20.26228      9.748059 
1 1 1 -27 10 12 o 79.97359 3.497616 321.5851       27.31326 296.7000       46.85938 334.3901       33.61382 74.43747 6.496321 81.04191 4.252303 -6.604439      7.764295 
1 1 1 -27 10 13 o 16.53011 6.353933 11.06423       14.46267 -10.73549      23.46072 24.42689       18.36801 15.23965 6.979232 21.45676 7.306952 -6.217108      10.10452 
1 1 1 -27 10 14 o 20.02601 6.567376 21.32105       14.85822 38.05764       23.43755 10.07510       19.21219 25.76078 8.232330 17.58705 7.141471 8.173725       10.89825 
1 1 1 -27 10 15 o 12.93567 5.742590 -2.944886      14.51671 -3.422126      22.85081 -2.621946      18.79721 16.05520 7.161344 14.76064 6.544667 1.294558       9.701418 
1 1 1 -27 10 16 o 12.62837 5.691738 -5.148436      14.85118 0.3243887      22.81271 -9.173856      19.56486 16.61910 7.295545 13.92947 6.377058 2.689631       9.689779 
1 1 1 -27 10 17 o 21.81518 6.792267 26.48102       16.05196 20.69814       24.50016 30.83036       21.24752 21.04866 8.220527 23.36484 7.859447 -2.316181      11.37312 
1 1 1 -27 10 18 o 13.23647 5.910699 -3.453183      15.61238 2.928558       23.59302 -8.424765      20.82386 17.19388 7.486167 14.44510 6.600222 2.748788       9.980262 
1 1 1 -27 10 19 o 26.62881 6.661534 40.41186       17.31829 51.28846       26.30172 32.08703       23.01046 28.90093 8.635867 23.60147 8.173453 5.299458       11.89048 
1 1 1 -27 10 20 o 35.31781 5.419199 67.50079       18.13694 57.22065       26.47868 76.58701       24.89366 30.41359 8.543699 36.38597 7.244272 -5.972380      11.20153 
1 1 1 -27 10 21 o 16.25756 6.667681 8.585967       16.95186 -15.22575      23.28081 35.45893       24.73207 14.25866 6.674297 24.35415 8.471498 -10.09549      10.78483 
1 1 1 -27 10 22 o 29.34739 6.733826 49.64230       18.93240 34.74363       25.68631 67.36322       28.01374 24.10905 8.611783 32.83204 8.611828 -8.722984      12.17893 
1 1 1 -27 10 23 o 25.97181 7.235750 40.02936       19.07602 23.21221       25.13160 62.88932       29.30095 21.21502 8.313963 31.20233 9.060588 -9.987316      12.29700 
1 1 1 -27 10 24 o 14.78836 6.717659 -5.401254      21.17487 -4.411613      23.81634 -9.135000      46.26035 15.76739 7.147310 20.19639 9.438879 -4.429000      11.83961 
1 1 1 -27 10 25 o 14.74831 6.692844 -5.026208      20.95498 -16.74466      23.43729 41.67000       46.78569 14.00607 6.600106 25.83849 10.87497 -11.83242      12.72110 
1 1 1 -27 10 26 o 40.74255 5.451077 90.79364       21.19390 57.31861       27.60001 138.8978       33.08567 29.67882 8.841198 48.82709 7.133174 -19.14827      11.35997 
1 1 1 -27 10 27 o 54.70423 4.460073 157.8177       23.67484 109.4499       32.13994 215.1961       35.00592 42.25311 8.065176 62.44651 5.793044 -20.19340      9.930077 
1 1 1 -27 10 28 o 27.39582 7.784596 46.82778       21.85387 38.89000       31.04054 54.62945       30.77328 24.55060 9.340159 28.20529 9.458289 -3.654688      13.29277 
1 1 1 -27 10 29 o 28.97432 7.270669 51.08836       20.58440 35.70718       26.94748 72.63666       31.89554 23.73454 8.769776 32.46186 9.461015 -8.727324      12.90038 
1 1 1 -27 10 30 o 43.70344 5.361637 105.3101       22.45611 99.83769       30.17828 112.0996       33.61432 39.97543 7.992041 41.82453 8.500939 -1.849102      11.66785 
1 1 1 -27 10 31 o 18.17394 7.409063 14.82621       20.77627 41.57281       28.01738 -17.85025      30.96783 24.89166 8.981452 15.79423 7.485696 9.097425       11.69197 
1 1 1 -27 10 32 o 21.07098 7.806089 26.78754       21.37543 37.33292       28.57702 13.39366       32.20616 23.67318 8.972220 19.62863 8.640733 4.044550       12.45644 
1 1 1 -27 10 33 o 26.95542 7.846300 47.44361       21.94963 46.27517       29.36711 48.92254       33.03928 25.45555 9.193871 25.70960 9.668694 -0.2540550     13.34207 
1 1 1 -27 10 34 o 16.34233 7.244181 4.279230       23.01613 44.60000       34.92135 -26.68756      30.60376 24.61760 9.753108 14.66165 7.078426 9.955950       12.05103 
1 1 1 -27 10 35 o 14.75434 6.839697 -7.291652      23.52586 -16.89018      28.14243 14.98000       42.86822 14.90461 7.084840 20.74181 9.474487 -5.837200      11.83051 
1 1 1 -27 10 36 o 17.10156 7.305641 10.32614       21.65103 9.494746       29.42495 11.30768       31.97171 18.37634 8.165838 19.02171 8.478582 -0.6453686     11.77146 
1 1 1 -27 10 37 o 33.41494 7.249524 70.01251       23.02827 46.83089       31.53546 96.49606       33.70664 25.03237 9.439126 36.61763 9.367329 -11.58526      13.29827 
1 1 1 -27 10 38 o 21.41253 7.984795 29.57088       22.43458 -3.464973      30.71319 67.36105       32.84896 16.81595 7.802153 29.42610 9.769988 -12.61015      12.50305 
1 1 1 -27 10 39 o 47.33866 6.510476 133.7101       29.36905 177.8000       48.05877 107.4305       37.10332 48.37390 10.45517 37.77185 9.912626 10.60204       14.40732 
1 1 1 -27 10 40 o 22.15055 8.766439 33.14671       28.18547 42.03588       34.44065 15.12000       49.04546 23.74735 9.591090 20.97502 9.774945 2.772339       13.69447 
1 1 1 -27 10 41 o 15.71236 7.365169 -8.068832      28.51942 25.38000       51.81969 -22.60247      34.15793 21.84317 10.13457 15.57149 7.507844 6.271686       12.61259 
1 1 1 -27 10 42 o 22.38262 9.386077 35.35973       34.65358 0.000000       0.000000 35.35973       34.65358 ?        ?        22.38262 9.386077 ?              ?        
1 1 1 -27 10 43 o 14.23729 6.694968 -9.974664      23.89111 -12.95522      34.11590 -7.106294      33.46769 16.21391 7.733419 16.63568 7.853791 -0.4217739     11.02215 
1 1 1 -27 10 44 o 19.94717 8.422470 24.89742       28.20843 8.101649       34.31682 59.89000       49.53305 18.16717 8.364334 24.51962 10.75739 -6.352453      13.62658 
1 1 1 -27 10 45 o 19.89040 8.466216 25.87954       28.89027 21.76814       35.53167 33.90000       49.62731 19.63278 8.830133 21.39934 9.924930 -1.766563      13.28441 
1 1 1 -27 11 1  o 37.15073 4.381689 70.89736       15.62747 74.08588       26.58600 69.21405       19.31702 36.34216 7.712671 36.16137 5.641524 0.1807899      9.555736 
1 1 1 -27 11 2  o 64.16485 3.219695 206.0185       20.15711 177.2652       31.69717 225.5416       26.11875 58.20206 5.634236 66.74274 4.016580 -8.540688      6.919359 
1 1 1 -27 11 3  o 37.28864 4.366718 71.40339       15.63662 46.94034       25.75274 85.68883       19.67954 28.58619 8.546082 40.58197 5.064128 -11.99578      9.933826 
1 1 1 -27 11 4  o 39.32170 4.169774 79.00564       15.80479 81.20587       25.89528 77.69948       19.95192 38.41018 7.150670 38.43423 5.456652 -0.2405167E-01 8.994840 
1 1 1 -27 11 5  o 57.72868 3.409426 167.3476       19.17966 142.6655       30.52882 183.4418       24.65209 51.83696 6.135596 60.05223 4.220785 -8.215279      7.447185 
1 1 1 -27 11 6  o 51.89478 3.583211 135.7308       18.08955 101.0867       28.47698 159.1679       23.42237 43.01685 7.003888 55.86177 4.317084 -12.84491      8.227494 
1 1 1 -27 11 7  o 34.28371 5.570385 62.33091       18.05194 38.28448       24.96984 88.66000       26.12813 26.07368 8.511431 40.29567 6.870569 -14.22199      10.93843 
1 1 1 -27 11 8  o 46.83006 4.596285 112.8147       20.79759 20.81000       47.68332 134.4292       23.11181 25.32254 10.83031 51.11403 4.670992 -25.79149      11.79465 
1 1 1 -27 11 9  o 49.32797 3.716420 123.0730       17.81223 72.33752       26.88018 162.7927       23.78369 35.68783 7.903535 56.45236 4.337412 -20.76453      9.015487 
1 1 1 -27 11 10 o 15.65676 6.149360 8.801614       13.77476 6.397723       22.24975 10.29560       17.54045 17.75129 7.486939 17.24257 6.885689 0.5087128      10.17187 
1 1 1 -27 11 11 o 16.53857 6.252108 11.61841       13.85528 7.844278       22.30866 13.98837       17.67810 18.02407 7.542745 18.23748 7.021046 -0.2134113     10.30476 
1 1 1 -27 11 12 o 15.53173 6.207812 7.964439       14.26921 -12.56880      23.23680 20.39470       18.07955 14.88547 6.864000 20.13802 7.221292 -5.252548      9.963010 
1 1 1 -27 11 13 o 27.19228 5.988452 40.46448       15.50743 26.90139       24.69587 49.29395       19.92564 22.75218 8.397431 29.59110 6.991162 -6.838921      10.92672 
1 1 1 -27 11 14 o 48.95126 3.947520 122.3396       18.75420 125.0436       29.55258 120.5164       24.26669 47.90605 6.467337 47.82786 5.270798 0.7818985E-01  8.343126 
1 1 1 -27 11 15 f 41.28590 4.480864 88.44821       17.81794 93.11040       27.97777 85.26699       23.11080 40.59685 7.309454 39.56982 6.167861 1.027023       9.564028 
1 1 1 -27 11 16 o 28.19679 6.255547 44.21746       16.81342 63.11272       26.26407 31.09690       21.88577 32.56613 8.235436 23.44587 7.976161 9.120262       11.46480 
1 1 1 -27 11 17 o 32.64122 5.619714 57.78024       17.30737 65.37881       26.54679 52.16278       22.82524 33.06444 8.233963 29.76078 7.757569 3.303663       11.31274 
1 1 1 -27 11 18 o 26.34274 6.552168 39.43058       16.82471 50.73716       25.37215 30.55679       22.47743 28.83561 8.447803 23.14096 8.074453 5.694645       11.68598 
1 1 1 -27 11 19 o 13.65830 6.086608 -2.665024      16.46737 -0.1691557     24.72672 -4.654271      22.07497 16.84504 7.485475 15.33788 6.923707 1.507166       10.19657 
1 1 1 -27 11 20 o 33.25820 5.909962 61.18393       18.53440 44.54403       26.01487 78.33688       26.41287 26.77950 8.683864 36.40766 7.654962 -9.628155      11.57618 
1 1 1 -27 11 21 o 15.37870 6.621687 3.327065       18.04939 -0.4636261     25.42818 7.176467       25.62434 16.91809 7.549782 18.20578 7.864660 -1.287689      10.90193 
1 1 1 -27 11 22 o 13.58635 6.193475 -6.534469      18.19974 -16.21567      24.08492 6.351523       27.78685 14.34728 6.738952 18.50465 8.089328 -4.157369      10.52857 
1 1 1 -27 11 23 o 17.77275 7.404973 10.80588       21.36167 7.004912       24.38421 23.35000       44.29776 17.75402 7.670756 23.33390 10.20677 -5.579884      12.76788 
1 1 1 -27 11 24 o 12.86804 6.107997 -18.45199      20.76912 -36.59974      23.42770 48.17000       44.88766 12.05076 5.901273 26.75268 10.89639 -14.70193      12.39178 
1 1 1 -27 11 25 o 26.64745 7.294497 42.78967       19.57850 20.29970       25.85898 72.99892       29.97002 20.48371 8.297094 33.47518 8.966928 -12.99147      12.21669 
1 1 1 -27 11 26 o 21.37882 7.791652 26.27322       21.15606 13.67000       30.51103 37.94385       29.36049 19.96181 8.602291 24.50713 9.135370 -4.545321      12.54808 
1 1 1 -27 11 27 o 16.95932 7.222490 7.980466       21.04521 -26.53000      29.65488 42.99615       29.87115 14.80335 7.100753 25.53237 9.265370 -10.72902      11.67338 
1 1 1 -27 11 28 o 41.22401 5.577491 94.22871       21.92903 86.40396       29.47545 103.9286       32.81774 36.86250 8.361832 40.30781 8.581311 -3.445313      11.98162 
1 1 1 -27 11 29 o 35.16868 6.434073 71.74187       21.33276 61.50665       28.23807 85.34950       32.55947 30.19271 8.929994 35.43023 9.279904 -5.237520      12.87872 
1 1 1 -27 11 30 o 38.78897 6.153737 86.10899       22.58516 93.38403       30.84806 77.70399       33.15727 38.00652 8.504872 33.14091 9.642722 4.865601       12.85749 
1 1 1 -27 11 31 o 17.31823 7.256178 11.36302       20.68386 0.7668636      28.02217 24.04635       30.65802 17.14639 7.764556 21.17461 8.850388 -4.028219      11.77360 
1 1 1 -27 11 32 o 12.70200 6.033776 -16.29271      20.34354 -35.96739      26.97096 9.674320       30.98516 12.97548 6.349424 18.80257 8.365944 -5.827090      10.50258 
1 1 1 -27 11 33 o 13.84740 6.432619 -8.698223      20.97434 -8.186868      28.15267 -9.336129      31.44389 15.89627 7.407351 16.51931 7.740265 -0.6230402     10.71357 
1 1 1 -27 11 34 o 17.24043 7.295430 11.53808       21.23996 0.6461225      28.48322 25.18141       31.87837 16.96704 7.739794 21.05714 8.925276 -4.090097      11.81376 
1 1 1 -27 11 35 o 19.72529 7.982126 21.48683       23.90656 74.25000       36.62389 -17.68694      31.55707 30.45234 10.31850 15.66206 7.461130 14.79028       12.73342 
1 1 1 -27 11 36 o 16.97651 7.495113 6.891856       24.39936 -1.904750      29.53460 25.80000       43.30101 16.80782 7.746128 21.81466 9.784780 -5.006838      12.47976 
1 1 1 -27 11 37 o 18.50476 7.567515 17.45957       21.75735 -26.40746      29.72649 68.07323       31.93069 14.37200 6.947796 29.91257 9.613870 -15.54056      11.86163 
1 1 1 -27 11 38 o 31.56600 7.681585 64.80273       23.50601 90.57389       32.94183 38.06868       33.55160 35.24591 9.382936 23.11132 9.417810 12.13459       13.29416 
1 1 1 -27 11 39 o 18.25550 7.962684 12.67462       26.79432 7.391034       32.12178 24.76000       48.58089 18.31833 8.302398 21.83788 10.01669 -3.519552      13.01015 
1 1 1 -27 11 40 o 17.34507 7.864973 4.703408       28.86706 5.260000       51.37489 4.446601       34.89683 20.23119 9.604031 18.28546 8.424552 1.945730       12.77539 
1 1 1 -27 11 41 o 20.30614 8.901990 22.02482       33.86147 0.000000       0.000000 22.02482       33.86147 ?        ?        20.30614 8.901990 ?              ?        
1 1 1 -27 11 42 o 15.28988 7.232885 -11.45623      28.65063 -45.46000      55.64195 0.8120032      33.42180 17.50901 8.672256 17.50298 8.127099 0.6025314E-02  11.88519 
1 1 1 -27 11 43 o 10.88179 5.429874 -46.75885      23.49046 -43.11068      33.36890 -50.34284      33.07410 13.76180 6.797938 13.26239 6.589049 0.4994106      9.467182 
1 1 1 -27 11 44 o 13.04468 6.288448 -19.97293      23.93859 16.51428       33.31846 -58.90538      34.41679 18.94874 8.534154 13.00270 6.501037 5.946033       10.72825 
1 1 1 -27 11 45 o 17.03618 7.732605 7.580846       27.98840 29.77730       34.20766 -37.37000      48.67999 20.66124 9.004773 16.51207 8.166414 4.149170       12.15633 
1 1 1 -27 12 1  o 40.24165 4.062923 82.62047       15.78478 95.23019       27.08990 76.13851       19.42262 41.78502 6.861335 38.05242 5.363149 3.732605       8.708691 
1 1 1 -27 12 2  o 57.24531 3.348796 164.5162       18.68246 133.9408       29.88755 184.1252       23.93496 50.10527 6.228012 60.20992 4.085433 -10.10465      7.448416 
1 1 1 -27 12 3  o 62.97008 3.291663 198.8022       20.21832 157.9140       31.86799 226.3477       26.15660 54.55396 6.070611 66.81934 4.017756 -12.26538      7.279745 
1 1 1 -27 12 4  o 29.24028 5.353899 45.41616       14.75898 39.04486       25.18050 48.75048       18.21605 26.26644 8.545415 29.85889 6.423399 -3.592455      10.69038 
1 1 1 -27 12 5  o 26.57407 5.883663 38.23469       14.89985 51.74520       24.53036 30.33597       18.75627 30.00346 8.145283 23.48285 7.346850 6.520607       10.96913 
1 1 1 -27 12 6  o 35.27075 5.590792 66.04174       18.65864 48.44111       26.39945 83.61000       26.37517 28.86720 8.658002 38.86637 7.197917 -9.999168      11.25926 
1 1 1 -27 12 7  o 45.62333 3.970109 105.9193       17.55309 96.58858       28.63432 111.5364       22.21696 41.76917 7.267450 46.33519 4.976446 -4.566013      8.807999 
1 1 1 -27 12 8  o 25.63576 6.008890 35.85001       14.81390 16.38140       23.98121 47.86311       18.83784 20.28121 8.067031 29.40149 6.696010 -9.120281      10.48397 
1 1 1 -27 12 9  o 14.93758 6.083830 6.145660       13.99244 9.715204       23.44673 4.171216       17.43807 18.69970 7.771839 15.69286 6.623937 3.006846       10.21166 
1 1 1 -27 12 10 o 19.17781 6.531463 18.98868       14.67614 8.213691       25.08405 24.59694       18.09688 18.79596 7.939666 21.44659 7.253397 -2.650639      10.75407 
1 1 1 -27 12 11 o 16.49982 6.370708 11.00350       14.58539 -22.16979      24.37693 29.50169       18.20326 14.09006 6.667199 23.02614 7.242564 -8.936080      9.844098 
1 1 1 -27 12 12 o 30.80159 5.551944 51.01876       16.12317 71.81113       26.50823 38.81016       20.31242 35.26341 7.878619 26.02587 7.539930 9.237535       10.90519 
1 1 1 -27 12 13 o 45.73162 4.118258 107.3663       18.23744 107.6917       29.23295 107.1589       23.33552 43.95984 7.030549 44.94870 5.412694 -0.9888649     8.872761 
1 1 1 -27 12 14 o 34.96908 5.144974 64.93841       17.08465 37.31992       27.31769 82.68037       21.89500 25.35756 8.897630 39.07835 5.908308 -13.72079      10.68063 
1 1 1 -27 12 15 o 17.66032 6.672760 14.23743       15.77777 20.58525       26.29568 10.66653       19.72247 21.25699 8.449890 17.68882 7.215918 3.568165       11.11171 
1 1 1 -27 12 16 o 26.58045 6.518515 39.95004       16.82802 53.50312       27.30382 31.64838       21.36914 29.48975 8.795748 23.48793 7.881748 6.001822       11.81047 
1 1 1 -27 12 17 o 16.41579 6.612991 9.643776       16.32691 -3.940399      25.14184 19.54985       21.46996 16.44740 7.409983 20.08053 7.735677 -3.633133      10.71208 
1 1 1 -27 12 18 o 14.25244 6.241808 0.1071305      16.61019 28.38824       25.00245 -22.23585      22.22312 22.59498 8.428666 13.08634 6.241662 9.508637       10.48812 
1 1 1 -27 12 19 o ?        ?        -70.16512      16.13951 -49.98783      23.34477 -88.63948      22.33794 11.09141 5.514686 ?        ?        ?              ?        
1 1 1 -27 12 20 o 53.23961 4.211782 147.2853       21.76991 123.9470       30.71890 170.8326       30.85618 46.60187 6.946238 56.05505 5.703013 -9.453182      8.987468 
1 1 1 -27 12 21 o 23.26857 7.462878 31.98013       19.24800 31.32112       25.88459 32.79526       28.78786 23.16992 8.588887 23.65915 8.996315 -0.4892387     12.43795 
1 1 1 -27 12 22 o 14.50407 6.634116 -7.118483      21.11073 -10.19565      24.30839 2.324000       42.58180 15.11583 6.988073 20.68609 9.446653 -5.570263      11.75042 
1 1 1 -27 12 23 o 32.94389 7.375519 64.71526       23.18990 48.69862       26.85316 111.7000       45.99262 27.48692 8.814672 38.69717 11.38395 -11.21025      14.39766 
1 1 1 -27 12 24 o 21.89721 7.575959 28.17206       19.76721 41.38577       27.16802 13.30802       28.81470 25.41660 8.876479 19.64202 8.410356 5.774574       12.22808 
1 1 1 -27 12 25 o 35.83236 6.720535 74.40456       22.70573 48.93000       33.76786 95.42748       30.67587 26.81966 9.832872 39.20378 8.255307 -12.38412      12.83883 
1 1 1 -27 12 26 o 26.75668 7.898741 44.80054       22.10990 16.10000       32.34799 69.96479       30.28966 20.54400 8.855356 32.36208 9.154249 -11.81808      12.73647 
1 1 1 -27 12 27 o 44.81826 5.118063 109.2307       22.05058 86.05939       29.28967 139.5451       33.50145 36.83147 8.321235 48.41381 7.295902 -11.58234      11.06676 
1 1 1 -27 12 28 o 28.45318 7.390975 49.83634       20.76688 20.91905       27.66119 87.18822       31.43752 20.53547 8.479539 36.32499 8.910356 -15.78952      12.30029 
1 1 1 -27 12 29 o 40.64061 5.682220 92.53986       21.98699 68.83936       29.40744 122.5828       33.10928 31.80040 9.028292 44.44907 7.899370 -12.64867      11.99625 
1 1 1 -27 12 30 o 20.64201 7.612100 25.10793       20.28533 4.755256       26.84833 52.18190       30.96582 17.49282 7.785071 27.05461 9.474629 -9.561787      12.26279 
1 1 1 -27 12 31 o 23.30377 7.762560 34.74744       20.73314 9.524096       27.48049 68.07703       31.58917 18.22675 8.004059 30.61964 9.527577 -12.39289      12.44346 
1 1 1 -27 12 32 o 11.76699 5.699883 -24.38344      20.26171 4.125041       27.01470 -61.04284      30.63415 17.22082 7.726094 12.35283 6.169602 4.867989       9.887190 
1 1 1 -27 12 33 o 15.35868 6.860825 1.471014       21.05498 16.14008       28.21885 -16.95144      31.62364 19.21473 8.276533 15.74004 7.490007 3.474692       11.16249 
1 1 1 -27 12 34 o 23.29562 8.040638 36.00460       22.26125 28.17502       30.40825 45.04693       32.67853 21.47069 8.880550 24.69633 9.535748 -3.225634      13.03053 
1 1 1 -27 12 35 o 22.25883 7.995451 32.27534       22.17426 34.28442       30.85920 30.13057       31.88419 22.61788 9.098532 21.88333 9.076204 0.7345524      12.85149 
1 1 1 -27 12 36 o 32.14397 7.518618 66.19941       23.23240 56.49697       33.01413 75.71766       32.69927 26.91064 9.744136 31.58352 9.670405 -4.672874      13.72825 
1 1 1 -27 12 37 o 20.12055 7.921924 24.39130       22.90925 16.39692       31.72794 33.09921       33.11360 19.49535 8.579411 22.22298 9.236091 -2.727634      12.60602 
1 1 1 -27 12 38 o 13.61225 6.567190 -23.89906      26.23088 -27.91001      31.67231 -15.14000      46.80418 14.67511 7.112788 18.37262 8.840680 -3.697507      11.34678 
1 1 1 -27 12 39 o 38.87325 8.240740 100.7516       30.38160 87.84000       53.91895 106.7579       36.77545 28.91504 11.87876 37.58185 9.871607 -8.666813      15.44518 
1 1 1 -27 12 40 o 23.06070 8.641343 37.80621       26.34047 50.13000       41.26363 29.33087       34.21952 24.51408 10.25848 21.40692 9.165634 3.107159       13.75665 
1 1 1 -27 12 41 o 23.43324 8.775197 39.74163       27.15357 36.14000       43.69095 42.00825       34.66027 22.56945 9.993903 23.46736 9.568666 -0.8979073     13.83609 
1 1 1 -27 12 42 o 18.76608 8.217026 16.38811       28.77434 -53.47000      54.60780 43.23983       33.85574 16.91413 8.413845 23.42252 9.491452 -6.508381      12.68387 
1 1 1 -27 12 43 o 16.60624 7.652282 1.787294       28.81068 85.71000       54.58974 -30.61318      33.91930 27.06268 11.58167 14.64150 7.155245 12.42118       13.61369 
1 1 1 -27 12 44 o 18.22305 7.763203 18.18195       24.32816 0.2376897      34.75073 35.42986       34.06979 17.16604 8.072891 21.47880 9.169669 -4.312765      12.21697 
1 1 1 -27 13 1  o 39.84045 4.119744 81.23660       15.83423 57.26994       25.90317 95.53516       20.00762 31.40156 8.302300 42.89137 4.850643 -11.48980      9.615453 
1 1 1 -27 13 2  o 40.77763 4.646330 86.04411       18.21502 107.3000       47.22722 82.32961       19.74253 40.64701 11.40729 39.60352 5.219835 1.043499       12.54484 
1 1 1 -27 13 3  o 52.40145 3.499882 138.4671       17.84868 160.5865       30.18677 126.5773       22.13186 55.18827 5.668591 49.55508 4.615797 5.633190       7.310164 
1 1 1 -27 13 4  f 24.60681 6.729200 33.62939       16.67110 47.72775       24.74983 21.92000       22.55564 28.66841 8.327971 21.31743 7.994712 7.350979       11.54429 
1 1 1 -27 13 5  o 21.88894 7.016773 26.05155       17.01721 49.92000       45.42314 22.15458       18.35390 29.20570 11.25157 20.74361 7.292029 8.462090       13.40789 
1 1 1 -27 13 6  o 17.65312 6.455996 14.56903       14.54293 1.903364       24.33335 21.60699       18.13890 17.47221 7.605093 20.52876 7.246418 -3.056549      10.50467 
1 1 1 -27 13 7  o 29.56462 5.593708 47.00092       15.59472 66.99630       26.43965 36.33365       19.31157 34.02071 8.063583 25.34252 7.354738 8.678188       10.91392 
1 1 1 -27 13 8  o 43.19931 4.076791 95.56412       17.03471 78.14675       27.50238 106.4054       21.69797 36.91272 7.853360 45.12089 4.996500 -8.208176      9.308075 
1 1 1 -27 13 9  o 74.99132 3.247652 282.5417       23.78241 289.8701       37.95452 277.8042       30.51614 74.44301 5.242268 73.68618 4.248962 0.7568283      6.747966 
1 1 1 -27 13 10 o 15.45695 6.254524 7.379010       14.67711 -0.6852709     24.90384 11.67065       18.16751 17.11714 7.564028 17.63877 7.019651 -0.5216351     10.31940 
1 1 1 -27 13 11 o 46.46695 4.095954 110.7869       18.43917 118.1870       30.98467 106.7290       22.94437 46.01524 7.107997 44.90683 5.323263 1.108414       8.880358 
1 1 1 -27 13 12 o 60.92932 3.588567 188.2284       21.30719 148.5700       33.29700 215.7295       27.72759 51.92209 6.708203 64.68418 4.405628 -12.76209      8.025557 
1 1 1 -27 13 13 o 22.86344 6.740057 29.45162       16.10826 24.11776       26.16587 32.70676       20.44086 22.02497 8.525111 23.88215 7.693603 -1.857189      11.48343 
1 1 1 -27 13 14 o 11.15923 5.267136 -14.22542      15.03706 -39.71563      24.70613 0.7732157      18.95152 12.42219 6.078319 15.32532 6.690417 -2.903128      9.039227 
1 1 1 -27 13 15 o 47.40244 4.158704 116.1026       19.10060 92.05093       30.47701 131.6604       24.51174 39.34401 8.180905 49.86356 5.093562 -10.51955      9.636991 
1 1 1 -27 13 16 o 47.96693 4.178330 119.1699       19.42225 112.1760       30.71524 123.8295       25.07077 44.13057 7.370388 48.02400 5.428436 -3.893429      9.153717 
1 1 1 -27 13 17 o 55.09917 3.964634 156.4200       21.23935 134.4190       31.87452 173.9900       28.48450 48.72630 6.873772 57.17364 5.144836 -8.447338      8.585923 
1 1 1 -27 13 18 o 18.93351 7.074371 18.02754       17.62766 20.52966       25.88827 15.86465       24.06951 20.83235 8.349662 19.54606 7.972327 1.286285       11.54447 
1 1 1 -27 13 19 o 28.51500 6.808559 47.16548       18.74044 64.53593       26.93182 30.85896       26.09401 32.21133 8.441411 23.12171 8.613532 9.089624       12.06028 
1 1 1 -27 13 20 o 11.46133 5.602548 -32.71766      20.83471 -15.96380      23.84393 -86.81000      42.84382 14.28317 6.707675 14.53974 7.267082 -0.2565651     9.889560 
1 1 1 -27 13 21 o 16.72935 7.233504 5.169368       21.71606 -13.85184      25.05605 62.59000       43.53390 14.88228 6.952449 29.24884 11.07662 -14.36656      13.07777 
1 1 1 -27 13 22 o 25.83891 8.151245 41.55725       23.04141 56.71721       27.34485 4.439000       42.78784 29.62212 8.794318 20.86689 9.506232 8.755230       12.95023 
1 1 1 -27 13 23 o 14.10427 6.377892 -4.229422      18.82720 10.60146       25.81026 -21.09468      27.52361 18.59552 7.960989 14.76823 7.016139 3.827285       10.61148 
1 1 1 -27 13 24 o 33.73616 7.007139 67.05825       22.38168 43.91000       33.26300 86.20956       30.25531 25.75365 9.697900 36.88231 8.547899 -11.12866      12.92733 
1 1 1 -27 13 25 o 45.63593 5.572715 114.7419       24.37741 68.28000       36.43483 152.3972       32.80059 30.68102 10.29167 51.49451 6.663592 -20.81349      12.26058 
1 1 1 -27 13 26 o 49.06840 4.790580 129.2077       22.71620 99.18658       30.92928 164.3684       33.47232 39.74494 8.221695 53.49076 6.528019 -13.74582      10.49816 
1 1 1 -27 13 27 o 32.50987 7.022510 63.24856       21.69261 53.83872       29.78465 73.87853       31.65685 27.92005 9.304070 32.73713 9.391088 -4.817078      13.21962 
1 1 1 -27 13 28 o 38.58381 6.012798 84.76302       21.96861 69.86815       29.68932 102.7869       32.65920 31.98253 9.068586 39.74509 8.641793 -7.762564      12.52676 
1 1 1 -27 13 29 o 31.35845 7.104043 59.73878       21.29842 53.13239       28.67065 67.87382       31.81523 27.65837 9.125406 30.84108 9.555948 -3.182713      13.21322 
1 1 1 -27 13 30 o 23.32902 7.811357 34.82603       20.99032 -1.693712      28.10472 80.89299       31.56532 16.77920 7.667106 34.03231 9.240025 -17.25311      12.00677 
1 1 1 -27 13 31 o 18.46954 7.456815 17.20951       20.80988 4.168445       28.13282 32.96669       30.92402 17.44929 7.851851 22.51764 9.090456 -5.068342      12.01199 
1 1 1 -27 13 32 o 14.47939 6.607799 -3.666675      20.78900 -13.01166      27.91233 7.975183       31.15429 15.25940 7.194390 18.45931 8.288132 -3.199906      10.97508 
1 1 1 -27 13 33 o 16.61116 7.180540 8.257703       21.38817 -2.160418      28.62885 21.41722       32.17579 16.62092 7.647823 20.44645 8.822651 -3.825529      11.67597 
1 1 1 -27 13 34 o 16.03589 7.067079 4.727207       21.59992 -23.87900      29.27629 38.90103       31.99873 14.52403 6.989606 23.50866 9.328923 -8.984626      11.65690 
1 1 1 -27 13 35 o 30.60916 7.685711 61.00946       22.99123 14.02876       32.20042 109.8690       32.83797 19.26236 8.551893 40.32245 8.583568 -21.06009      12.11662 
1 1 1 -27 13 36 o 14.22541 6.585625 -6.675968      21.70080 -34.18150      30.42580 21.80447       30.96030 13.90508 6.791348 20.25676 8.696540 -6.351675      11.03414 
1 1 1 -27 13 37 o 15.81496 7.492245 -13.07953      30.95701 -13.07953      30.95701 0.000000       0.000000 15.81496 7.492245 ?        ?        ?              ?        
1 1 1 -27 13 38 o 18.43183 8.135561 12.16469       28.72988 -17.62000      53.17175 24.44569       34.14297 18.96319 9.196988 20.83139 9.038396 -1.868208      12.89485 
1 1 1 -27 13 39 o 18.06877 7.921792 12.27726       26.81990 6.777000       41.75912 16.13897       34.99041 19.34723 9.017459 19.63480 8.802293 -0.2875710     12.60139 
1 1 1 -27 13 40 o 33.36426 8.465279 77.39351       27.68564 79.83000       45.38028 75.94901       34.94165 28.68756 11.19251 30.40383 10.07578 -1.716263      15.05967 
1 1 1 -27 13 41 o 20.67351 8.062513 27.98911       23.54017 27.51883       33.42641 28.45185       33.15688 20.89895 9.005000 21.03105 9.013812 -0.1321011     12.74123 
1 1 1 -27 13 42 o 13.57123 6.445217 -13.58158      23.18652 -10.22369      32.72038 -16.96850      32.86146 16.10485 7.650779 15.53159 7.456549 0.5732574      10.68338 
1 1 1 -27 13 43 o 21.18724 8.717754 32.52067       29.10016 -6.308000      55.48406 47.25449       34.17823 18.99654 9.254445 23.61361 9.548238 -4.617069      13.29713 
1 1 1 -27 13 44 o 35.82689 8.744287 94.79353       30.39131 97.06000       57.25560 93.90445       35.86009 27.23473 11.76053 32.92428 10.13554 -5.689554      15.52544 
1 1 1 -27 14 1  o 32.75314 4.985202 56.54153       15.47888 38.62485       26.56199 65.75459       19.04731 25.90100 8.787380 34.97678 5.764107 -9.075777      10.50919 
1 1 1 -27 14 2  o 18.49440 6.456188 17.25417       14.37149 -8.107987      24.27316 30.94380       17.83319 15.83033 7.191517 23.51644 7.129833 -7.686110      10.12682 
1 1 1 -27 14 3  o 24.24356 7.037021 33.03625       17.67774 33.95861       25.97111 32.24000       24.13044 24.64674 8.673374 24.08540 8.368424 0.5613422      12.05230 
1 1 1 -27 14 4  o 46.97388 3.872106 112.4549       17.64572 68.05788       28.75085 139.2851       22.35041 33.82943 8.649899 52.00038 4.433332 -18.17095      9.719835 
1 1 1 -27 14 5  o 39.26394 4.447603 79.82191       16.79262 29.38478       27.53001 109.7076       21.19156 23.62551 8.838142 45.91266 4.785629 -22.28715      10.05062 
1 1 1 -27 14 6  o 33.32157 5.101918 58.76135       16.11160 67.94244       27.14489 53.76774       20.01929 34.03141 8.238206 31.00194 6.785854 3.029470       10.67314 
1 1 1 -27 14 7  o 34.47398 5.000101 62.70086       16.38054 60.50702       27.28036 63.93780       20.48434 31.84054 8.566598 34.09411 6.372376 -2.253567      10.67679 
1 1 1 -27 14 8  o 29.98465 5.680552 48.72164       16.06215 22.21950       26.45088 64.20280       20.21629 21.77704 8.530820 34.19652 6.270686 -12.41948      10.58756 
1 1 1 -27 14 9  o 21.25505 6.730906 24.87963       15.69752 8.223296       26.68547 33.69283       19.41118 19.02732 8.118987 24.28831 7.453419 -5.260984      11.02141 
1 1 1 -27 14 10 o 17.60568 6.573840 14.38440       15.21639 23.21668       25.23159 9.336165       19.07559 21.72757 8.381828 17.23384 7.071100 4.493729       10.96611 
1 1 1 -27 14 11 o 35.41025 5.105205 66.65261       17.18442 73.34173       28.46599 62.81709       21.55529 34.98340 8.415948 33.36690 6.830029 1.616505       10.83870 
1 1 1 -27 14 12 o 60.74290 3.620223 187.6321       21.42705 139.6858       33.51181 220.7880       27.86772 49.84011 7.067256 65.34885 4.382024 -15.50874      8.315543 
1 1 1 -27 14 13 o 29.90000 6.097156 49.65014       17.23893 13.09991       28.60892 70.48697       21.60092 20.10023 8.484312 35.54157 6.446437 -15.44134      10.65552 
1 1 1 -27 14 14 o 10.25014 4.963426 -22.11390      15.33046 -53.67054      25.44584 -4.133002      19.20777 11.61464 5.771934 14.45721 6.498157 -2.842570      8.691447 
1 1 1 -27 14 15 o 26.95770 6.579775 41.61719       17.20731 29.72737       27.49872 49.26893       22.05996 23.08622 8.789225 28.69346 7.696254 -5.607243      11.68258 
1 1 1 -27 14 16 o 44.21894 4.617573 102.9208       19.69189 110.1230       30.57592 97.81625       25.74111 43.49775 7.449125 41.72576 6.515409 1.771992       9.896465 
1 1 1 -27 14 17 o 31.10598 6.364455 54.74991       18.72442 16.15203       27.73927 87.05775       25.37858 20.24811 8.437451 39.00184 6.900186 -18.75373      10.89969 
1 1 1 -27 14 18 o 37.82280 5.467321 77.87739       19.65450 71.95488       28.07064 83.57338       27.52860 34.01762 8.464489 37.39378 7.774894 -3.376163      11.49333 
1 1 1 -27 14 19 o 17.74021 7.474088 9.661620       22.13454 11.08329       25.61697 5.473000       43.97072 18.78568 7.983221 21.28120 9.672258 -2.495518      12.54131 
1 1 1 -27 14 20 o 31.65429 7.698233 60.83626       23.61933 52.27441       27.42562 85.42000       46.47257 28.39934 8.883793 33.16094 11.60743 -4.761600      14.61691 
1 1 1 -27 14 21 o 20.60632 7.420858 23.80206       19.11576 30.53945       27.07014 17.10077       26.99755 22.85939 8.716236 20.05565 8.337842 2.803740       12.06202 
1 1 1 -27 14 22 o 20.74197 7.460125 24.41307       19.31139 56.46293       27.51674 -6.693235      27.10867 29.37814 8.845677 16.28646 7.474839 13.09168       11.58099 
1 1 1 -27 14 23 o 41.38624 6.018185 96.01721       23.66581 75.25000       36.49601 111.0856       31.08778 32.40759 10.26322 42.96499 7.673725 -10.55741      12.81482 
1 1 1 -27 14 24 o 22.22345 7.966823 29.54986       22.00363 14.93000       32.64904 41.71614       29.78365 20.38784 8.842237 25.22396 9.236740 -4.836126      12.78681 
1 1 1 -27 14 25 o 29.47926 7.212233 52.71806       20.63737 56.21457       28.46615 48.84426       29.96260 28.81725 9.055966 26.72770 9.322669 2.089550       12.99703 
1 1 1 -27 14 26 o 25.62980 7.539201 40.88080       20.17284 29.72957       27.14369 54.63892       30.14997 22.29173 8.667836 28.05983 9.361197 -5.768105      12.75788 
1 1 1 -27 14 27 o 29.40742 7.263556 53.12115       20.78322 47.10594       28.18859 60.28562       30.76377 26.22967 9.048233 29.19134 9.441438 -2.961670      13.07713 
1 1 1 -27 14 28 o 58.81828 5.280646 189.9980       30.07901 152.0000       54.78174 206.3978       35.98930 42.09751 12.43467 60.11420 6.205401 -18.01669      13.89705 
1 1 1 -27 14 29 o 12.02122 5.770492 -20.33662      19.66576 -33.58133      26.32945 -3.624303      29.57596 13.00471 6.344192 16.87047 7.766516 -3.865751      10.02834 
1 1 1 -27 14 30 o 28.07915 7.594049 50.61623       21.37061 44.03137       29.44284 57.94798       31.06780 24.88171 9.171565 27.96846 9.503336 -3.086752      13.20723 
1 1 1 -27 14 31 o 19.38958 7.672324 20.88108       21.58532 15.33053       29.96678 26.86639       31.11828 19.35491 8.431892 21.36280 8.921895 -2.007896      12.27587 
1 1 1 -27 14 32 o 44.13994 5.626866 110.8619       23.75916 140.8251       33.43917 80.31335       33.76425 47.51880 7.432625 32.52666 9.799609 14.99214       12.29944 
1 1 1 -27 14 33 o 25.60548 7.963133 43.76013       22.07011 61.31664       30.45507 24.34329       32.02800 28.70763 9.401701 20.90524 8.906677 7.802395       12.95071 
1 1 1 -27 14 34 o 27.07260 7.985497 49.24547       22.60588 81.37211       32.05171 17.44615       31.88801 33.26170 9.419493 19.72481 8.643149 13.53689       12.78401 
1 1 1 -27 14 35 o 23.75225 8.100695 38.23141       22.57667 33.74427       32.17951 42.58107       31.68274 22.35178 9.179002 24.04486 9.360321 -1.693077      13.10991 
1 1 1 -27 14 36 o 24.27915 9.466996 44.46887       32.45120 44.46887       32.45120 0.000000       0.000000 24.27915 9.466996 ?        ?        ?              ?        
1 1 1 -27 14 37 f 21.47329 8.623867 30.12593       27.67475 -5.230000      51.12358 44.78112       32.91439 19.52215 9.353357 24.26996 9.513589 -4.747816      13.34143 
1 1 1 -27 14 38 o 33.67789 8.102602 76.12365       26.38391 51.38000       42.00728 92.24373       33.90598 24.78723 10.36006 35.02227 9.604373 -10.23504      14.12709 
1 1 1 -27 14 39 o 17.40125 7.655246 9.980299       25.24084 64.38000       39.83410 -26.51510      32.62690 26.91075 10.49001 14.88184 7.214448 12.02891       12.73140 
1 1 1 -27 14 40 o 18.10733 7.877742 13.60848       26.08293 20.45551       32.02874 0.1269000      44.94271 19.84623 8.680121 19.02070 9.015772 0.8255310      12.51514 
1 1 1 -27 14 41 o 14.57222 6.734695 -4.184853      22.55224 11.03362       31.84837 -19.49025      31.93919 18.32852 8.290958 15.16201 7.297631 3.166513       11.04515 
1 1 1 -27 14 42 o 13.12310 6.279838 -16.39086      22.89269 -46.58527      32.03729 15.11173       32.72394 13.15640 6.527578 18.75723 8.451924 -5.600828      10.67915 
1 1 1 -27 14 43 o 20.69383 8.144244 30.48086       24.20427 24.24350       34.25814 36.69778       34.20194 19.79556 8.802893 21.59145 9.201674 -1.795893      12.73427 
1 1 1 -27 15 1  o 64.70521 4.087945 214.1902       25.75875 211.4724       35.26156 217.3000       37.71925 62.95456 5.786965 63.49255 6.145999 -0.5379868     8.441698 
1 1 1 -27 15 2  o 23.53041 8.267270 30.80624       23.58933 37.25000       45.80241 28.48000       27.51983 26.64627 10.94764 23.29348 8.810062 3.352795       14.05233 
1 1 1 -27 15 3  o 11.63080 5.360206 -8.738563      14.14228 -24.16045      24.92812 -1.419172      17.17347 14.00541 6.660425 14.31518 6.305404 -0.3097725     9.171661 
1 1 1 -27 15 4  o 15.89184 6.282639 9.301655       14.46205 -6.296420      24.90347 17.23863       17.76446 16.20302 7.330282 19.00845 7.101890 -2.805435      10.20636 
1 1 1 -27 15 5  o 26.35904 6.080106 38.45415       15.36752 37.92044       26.60301 38.72144       18.82635 25.49591 8.790290 26.00478 7.166750 -0.5088654     11.34158 
1 1 1 -27 15 6  o 52.12519 3.812655 138.6149       19.31822 105.6209       31.70729 158.0929       24.36202 42.76362 7.864648 55.22171 4.547361 -12.45808      9.084667 
1 1 1 -27 15 7  o 20.16669 6.754143 21.94365       15.69291 -5.462799      26.78207 36.27306       19.36563 16.84063 7.611874 25.07775 7.389484 -8.237120      10.60873 
1 1 1 -27 15 8  o 44.59013 4.243257 102.7713       18.29716 74.37595       30.39822 118.9039       22.91271 34.85104 8.885305 47.51552 5.001369 -12.66449      10.19619 
1 1 1 -27 15 9  o 40.29464 4.613928 84.95751       17.87024 65.16544       29.82513 96.04237       22.32039 32.38781 9.056492 42.30917 5.521250 -9.921368      10.60680 
1 1 1 -27 15 10 o 31.15111 5.696685 52.97379       16.73019 27.10172       27.82115 67.62937       20.93925 22.76679 8.796454 34.87195 6.369111 -12.10516      10.86016 
1 1 1 -27 15 11 o 19.13906 6.786065 19.13208       15.92202 14.78716       26.99604 21.44965       19.71630 20.05856 8.338210 20.33938 7.503861 -0.2808228     11.21756 
1 1 1 -27 15 12 o 59.65670 3.675025 181.7469       21.35564 150.8849       33.63242 202.5965       27.64358 51.83528 6.791899 62.30779 4.564249 -10.47251      8.183047 
1 1 1 -27 15 13 o 15.35510 6.382196 6.329768       15.81304 1.395586       26.34728 9.107812       19.76959 17.49510 7.753172 17.16174 7.134859 0.3333626      10.53650 
1 1 1 -27 15 14 o 28.36969 6.395965 45.75938       17.33529 58.12784       27.97837 38.05243       22.08541 30.28811 8.870454 25.13228 7.986857 5.155834       11.93628 
1 1 1 -27 15 15 o 31.19495 6.228280 54.77282       18.35137 17.89963       27.87345 82.98526       24.38124 20.59093 8.508152 38.14951 6.777510 -17.55858      10.87765 
1 1 1 -27 15 16 o 49.03580 4.443343 126.0216       21.09572 95.70348       31.35882 151.0844       28.51171 39.53378 8.365105 52.72858 5.610256 -13.19480      10.07224 
1 1 1 -27 15 17 o 17.02039 6.935616 10.70125       18.19583 -0.1738012     26.34804 20.61668       25.15872 17.12752 7.661240 20.61491 8.241789 -3.487391      11.25263 
1 1 1 -27 15 18 o 31.86781 7.671751 61.42488       23.64150 52.17286       28.03876 84.18000       43.97241 28.33832 8.998400 33.41911 11.30652 -5.080784      14.45021 
1 1 1 -27 15 19 o 20.82095 7.952530 23.36450       22.55897 16.48847       26.48859 41.52000       43.04216 19.87665 8.260769 25.65427 10.58381 -5.777620      13.42600 
1 1 1 -27 15 20 o 38.40409 5.606701 81.28169       20.45484 91.02370       28.98542 71.61715       28.86996 38.65287 7.927347 33.38036 8.736043 5.272518       11.79666 
1 1 1 -27 15 21 o 15.67176 6.719354 4.935015       18.43790 -15.13474      25.44234 27.13346       26.75761 14.77307 6.934930 21.97843 8.588799 -7.205364      11.03905 
1 1 1 -27 15 22 f 18.97912 7.516555 17.33432       20.73475 -7.565000      31.42088 36.54150       27.59664 17.22156 7.955658 24.11151 8.880800 -6.889957      11.92313 
1 1 1 -27 15 23 f 16.30995 7.090437 4.640453       21.09675 -22.75000      31.56544 26.75303       28.36167 15.64177 7.454451 21.90694 8.753272 -6.265171      11.49733 
1 1 1 -27 15 24 o 21.79243 7.703802 28.54830       20.50695 31.59684       28.60296 25.32386       29.41656 22.78900 8.887388 21.58347 8.809643 1.205532       12.51381 
1 1 1 -27 15 25 o 33.85667 6.688078 67.39818       21.37769 35.87799       29.09716 104.3681       31.51232 23.67011 9.033936 40.72934 8.188575 -17.05923      12.19282 
1 1 1 -27 15 26 o 18.65168 7.421731 17.27456       20.30563 10.63196       27.39117 25.37874       30.25492 18.55816 8.073394 21.48582 8.869704 -2.927666      11.99380 
1 1 1 -27 15 27 o 30.75027 7.118015 57.59652       21.00089 16.27264       28.17449 109.2609       31.50295 19.59937 8.352116 41.70160 8.008822 -22.10223      11.57148 
1 1 1 -27 15 28 o 36.84105 6.220430 78.76928       21.63364 43.23426       28.97179 123.5542       32.52467 24.94710 9.114011 44.51518 7.745622 -19.56808      11.96076 
1 1 1 -27 15 29 o 18.60207 7.440361 17.90808       20.51302 -11.06235      27.85584 52.23107       30.32015 15.49984 7.269838 26.71537 9.373867 -11.21552      11.86254 
1 1 1 -27 15 30 o 18.11586 7.422767 15.72490       20.98347 47.42717       28.84562 -19.90555      30.58055 25.64678 9.129839 15.23641 7.282162 10.41037       11.67835 
1 1 1 -27 15 31 o 37.65056 6.327259 83.79491       22.49189 82.48744       31.44528 85.16456       32.18425 33.89101 9.231104 34.32642 9.334480 -0.4354095     13.12805 
1 1 1 -27 15 32 o 15.31214 6.827827 1.920338       20.75549 33.88705       28.44897 -34.45747      30.34840 22.47156 8.833895 13.91355 6.792711 8.558006       11.14355 
1 1 1 -27 15 33 o 16.57474 7.175134 8.237688       21.41756 19.66450       29.80399 -3.964423      30.79848 19.86564 8.530675 16.81045 7.804199 3.055185       11.56192 
1 1 1 -27 15 34 o 34.88012 7.076418 75.64275       23.33302 108.0623       33.15780 43.84116       32.84024 39.63576 8.778204 24.19119 9.496848 15.44457       12.93240 
1 1 1 -27 15 35 o 17.47142 8.072333 0.2898130      32.36751 0.2898130      32.36751 0.000000       0.000000 17.47142 8.072333 ?        ?        ?              ?        
1 1 1 -27 15 36 o 27.32301 9.018883 55.19349       28.00412 64.40000       51.92308 51.41688       33.25554 26.02859 11.21933 25.56567 9.681274 0.4629173      14.81892 
1 1 1 -27 15 37 o 24.17246 8.580239 41.60403       25.46045 59.38000       41.20676 30.62727       32.38091 26.12186 10.51186 21.64466 9.074614 4.477198       13.88696 
1 1 1 -27 15 38 o 20.60716 8.233375 27.13543       25.09097 -6.133000      39.93618 48.83177       32.25103 17.88179 8.482601 24.88587 9.507762 -7.004080      12.74174 
1 1 1 -27 15 39 o 41.83051 6.247576 104.3833       24.79783 105.2510       35.14024 103.5226       34.99904 37.48152 9.551788 37.11065 9.572311 0.3708687      13.52279 
1 1 1 -27 15 40 o 14.28628 6.682678 -7.974293      23.27330 -13.09408      33.24454 -3.053524      32.59199 15.99753 7.631269 16.84410 7.888541 -0.8465738     10.97567 
1 1 1 -27 15 41 o 22.99671 8.719083 39.92087       26.99326 39.27750       33.36398 41.14000       45.92762 22.45940 9.296996 22.48560 10.08212 -0.2620316E-01 13.71434 
1 1 1 -27 15 42 o 15.67269 7.092779 3.689127       23.33952 4.994761       32.99636 2.381797       33.01780 17.43406 8.088256 17.15681 8.003771 0.2772579      11.37894 
1 1 1 -27 15 43 o 10.63333 5.314744 -45.99868      22.92144 -53.43000      32.45222 -38.60061      32.37952 12.74048 6.361184 13.58847 6.709358 -0.8479881     9.245547 
1 1 1 -27 16 1  o 27.24862 6.012151 41.15295       15.60475 34.93312       27.84033 44.00218       18.84295 24.63173 8.943958 27.71640 6.957058 -3.084667      11.33115 
1 1 1 -27 16 2  o 21.61654 6.820846 26.11154       16.13295 -28.45000      31.70450 45.17556       18.74066 15.65041 7.461996 28.13492 6.866425 -12.48450      10.14047 
1 1 1 -27 16 3  o 47.13877 4.878136 116.7758       22.18321 71.49405       29.62180 174.6000       33.47377 34.15773 8.804100 56.66348 6.132885 -22.50574      10.72961 
1 1 1 -27 16 4  o 46.06157 4.007964 109.1107       17.89071 85.86506       29.49049 122.6483       22.50513 38.07146 8.158982 48.34996 4.819439 -10.27850      9.476074 
1 1 1 -27 16 5  o 57.92309 3.584196 170.6112       20.22167 128.2391       33.21115 195.5752       25.49183 47.41133 7.397861 61.56553 4.256364 -14.15419      8.534927 
1 1 1 -27 16 6  o 46.61065 4.077384 111.9886       18.41545 81.52066       31.18684 128.2991       22.81832 36.44408 8.835282 49.46363 4.772110 -13.01955      10.04168 
1 1 1 -27 16 7  o 36.52382 5.094383 71.11991       17.71780 28.50990       30.06687 93.78764       21.92989 23.24604 9.098501 41.75095 5.499783 -18.50492      10.63157 
1 1 1 -27 16 8  o 22.10046 6.825155 27.71462       16.24534 4.067737       27.55516 40.31247       20.11242 18.31083 8.028731 26.17460 7.478008 -7.863771      10.97183 
1 1 1 -27 16 9  o 13.58665 5.976261 -0.8724965     15.37808 -19.50004      26.83908 8.231843       18.76351 14.97031 7.057059 16.73337 6.953364 -1.763062      9.907136 
1 1 1 -27 16 10 o 15.95896 6.476591 8.703237       15.79067 -1.425905      27.33036 13.77887       19.34658 17.34351 7.776905 18.15958 7.238280 -0.8160686     10.62417 
1 1 1 -27 16 11 o 42.16400 4.579722 93.52766       18.59786 73.65582       30.71003 105.0363       23.37082 34.03495 9.059040 44.02502 5.546170 -9.990074      10.62197 
1 1 1 -27 16 12 o 38.82672 4.981076 80.51038       18.49489 32.16898       29.70426 111.1160       23.63524 23.68750 9.105778 45.35153 5.432243 -21.66404      10.60304 
1 1 1 -27 16 13 o 51.30002 4.074682 136.3102       20.29258 129.6946       32.25168 140.6454       26.10825 47.47120 7.163681 51.17830 5.287837 -3.707100      8.903906 
1 1 1 -27 16 14 o 33.59282 5.875880 62.61641       18.61758 32.94771       28.70201 84.16667       24.46185 23.70476 8.990064 38.37463 6.759180 -14.66987      11.24757 
1 1 1 -27 16 15 o 37.62091 5.518541 77.32993       19.71782 49.21304       29.44562 100.1874       26.54919 27.51647 9.252244 41.94400 6.691266 -14.42753      11.41828 
1 1 1 -27 16 16 o 21.75299 7.425417 27.42480       18.97030 2.861624       26.84370 51.93080       26.81244 17.66436 7.827146 28.44404 8.765538 -10.77967      11.75155 
1 1 1 -27 16 17 o 25.06458 8.140795 38.94025       22.85759 62.42891       27.76675 -10.44000      40.25988 31.12748 8.750739 18.91692 8.829238 12.21056       12.43105 
1 1 1 -27 16 18 o 16.67919 7.318093 3.343642       22.92682 19.47409       28.26242 -27.70000      39.20780 20.67262 8.556995 17.16463 8.215065 3.507986       11.86210 
1 1 1 -27 16 19 o 17.34900 7.084490 11.76602       19.03414 30.37989       27.04590 -6.500762      26.79256 22.72608 8.700782 16.22114 7.439768 6.504940       11.44787 
1 1 1 -27 16 20 o 19.89018 7.408569 21.53473       19.30256 43.02958       27.32167 0.1143879      27.27427 25.74019 8.906677 17.22086 7.741595 8.519337       11.80090 
1 1 1 -27 16 21 o 22.52481 7.835320 30.60559       21.15702 -6.355000      32.14059 58.86718       28.10494 17.49743 8.069943 29.80203 8.932120 -12.30460      12.03772 
1 1 1 -27 16 22 o 17.59377 7.379024 10.89243       21.42302 24.32000       32.59090 0.6764010      28.42750 21.80857 9.120940 17.47856 7.876506 4.330011       12.05118 
1 1 1 -27 16 23 o 15.76916 6.855719 4.206804       19.72537 8.152370       27.19787 -0.1714996     28.65056 18.23112 7.985617 17.32899 7.848801 0.9021301      11.19704 
1 1 1 -27 16 24 o 30.66161 7.070463 56.77728       20.78660 53.40245       28.73172 60.48367       30.11008 27.87499 9.131986 29.48018 9.320409 -1.605185      13.04849 
1 1 1 -27 16 25 o 17.74746 7.268300 13.65451       20.10698 -12.74161      27.27259 45.08778       29.76124 15.33913 7.194099 25.53335 9.250776 -10.19421      11.71887 
1 1 1 -27 16 26 o 21.83566 7.664716 29.32097       20.27285 10.28491       27.60637 51.60260       29.86718 18.49208 8.073849 27.04330 9.314378 -8.551224      12.32658 
1 1 1 -27 16 27 f 16.35693 7.025676 7.474238       20.22470 16.17225       27.78483 -2.328043      29.49588 19.36856 8.275119 16.98911 7.797212 2.379454       11.36988 
1 1 1 -27 16 28 o 17.80150 7.314338 14.53111       20.44757 -0.7198755E-01 27.93425 31.38720       30.01185 16.83289 7.673307 22.18623 8.955838 -5.353336      11.79350 
1 1 1 -27 16 29 o 22.53032 7.845379 32.93330       21.21423 44.81753       29.38281 19.99272       30.66090 24.94610 9.167871 20.13550 8.649590 4.810600       12.60418 
1 1 1 -27 16 30 o 30.50469 7.373644 59.15248       21.77098 61.54776       30.35010 56.61351       31.24712 28.70906 9.384479 27.30970 9.520748 1.399361       13.36836 
1 1 1 -27 16 31 o 27.00548 7.751291 48.08628       21.56084 74.08665       29.99326 20.28304       31.01570 32.08957 9.120243 20.09458 8.666426 11.99499       12.58117 
1 1 1 -27 16 32 o 23.80829 7.931728 37.78960       21.64651 47.12044       30.40602 28.20056       30.82382 25.21449 9.315752 21.40852 8.905431 3.805971       12.88759 
1 1 1 -27 16 33 o 11.86604 5.759316 -24.92771      20.95548 10.78084       29.59307 -60.84193      29.67817 18.37425 8.175580 11.99357 6.002501 6.380675       10.14249 
1 1 1 -27 16 34 o 22.42165 9.065645 34.82504       30.80825 34.82504       30.80825 0.000000       0.000000 22.42165 9.065645 ?        ?        ?              ?        
1 1 1 -27 16 35 o 15.66475 6.983305 3.256433       21.69733 -19.73853      30.14466 27.97618       31.25475 14.96370 7.172771 21.17539 8.899012 -6.211697      11.42983 
1 1 1 -27 16 36 o 18.84582 7.882113 18.33641       24.34027 -21.96000      37.95584 46.48266       31.72164 16.38340 7.903030 24.62785 9.424404 -8.244450      12.29948 
1 1 1 -27 16 37 o 23.45065 8.454468 39.11931       24.81977 27.16000       38.82676 47.38316       32.27523 21.23859 9.412034 24.58187 9.480659 -3.343283      13.35924 
1 1 1 -27 16 38 o 15.90074 7.091914 4.399232       22.40550 -40.26723      31.10686 52.55520       32.29910 13.49841 6.647954 25.58087 9.572398 -12.08246      11.65445 
1 1 1 -27 16 39 o 17.58751 7.470617 14.21067       22.41521 -15.17468      32.03122 42.41088       31.37864 15.60211 7.455836 23.44038 9.258240 -7.838270      11.88716 
1 1 1 -27 16 40 f 18.92342 7.778947 21.03846       23.14172 38.25565       32.76791 3.906301       32.68690 22.36638 9.231722 17.50577 8.096622 4.860613       12.27925 
1 1 1 -27 16 41 o 17.09184 7.656090 9.380777       26.41293 43.56000       45.28660 -8.239902      32.51621 22.47673 10.04973 16.06456 7.630270 6.412170       12.61817 
1 1 1 -27 16 42 o 15.59636 7.263011 -1.712001      26.99846 -2.915445      34.14375 0.2959000      44.10315 16.67550 7.890590 18.14504 8.691929 -1.469538      11.73929 
1 1 1 -27 17 1  o 16.27044 6.316633 11.11428       14.39765 -5.807104      25.87568 18.70240       17.32771 16.36094 7.429632 19.16022 7.040521 -2.799282      10.23564 
1 1 1 -27 17 2  o 26.47605 6.187462 39.46085       15.74530 36.61786       27.91250 40.78771       19.06880 24.79492 8.962204 26.41845 7.185475 -1.623531      11.48704 
1 1 1 -27 17 3  o 28.80784 6.971132 48.01667       19.44252 62.01927       27.77861 34.57000       27.22160 31.56975 8.707506 24.26776 8.839251 7.301991       12.40778 
1 1 1 -27 17 4  o 49.13046 4.064356 124.7049       19.37087 80.59760       33.72389 146.4226       23.66407 35.33107 9.532970 52.86554 4.619458 -17.53447      10.59325 
1 1 1 -27 17 5  o 29.69901 7.186090 51.53393       20.66158 54.82518       29.63295 48.42000       28.82363 29.26357 9.245542 27.66700 9.150615 1.596575       13.00822 
1 1 1 -27 17 6  o 34.95917 5.218496 65.84950       17.31120 36.46444       30.27134 80.12933       21.10231 24.72699 9.264135 38.21692 5.825059 -13.48993      10.94329 
1 1 1 -27 17 7  o 45.54198 4.285840 108.0791       18.88071 59.47520       31.30944 135.8547       23.66852 30.17042 9.499709 50.69941 4.827580 -20.52899      10.65598 
1 1 1 -27 17 8  o 28.16199 6.473965 45.27896       17.47209 12.36776       29.79302 62.53136       21.57085 19.97208 8.551814 32.92533 6.913622 -12.95325      10.99689 
1 1 1 -27 17 9  o 30.42439 6.133612 51.98970       17.63459 44.83445       29.93440 55.79277       21.82352 26.55682 9.314366 30.72158 7.354983 -4.164761      11.86816 
1 1 1 -27 17 10 o 57.45633 3.847865 169.8663       21.51558 129.0897       34.13911 196.7342       27.71175 46.79618 7.722192 61.16604 4.663739 -14.36987      9.021236 
1 1 1 -27 17 11 o 12.12423 5.641944 -10.79176      16.24450 -59.40187      27.46761 15.35538       20.14511 11.85568 5.908819 18.62193 7.398048 -6.766253      9.468118 
1 1 1 -27 17 12 o 44.14307 4.618192 102.9200       19.65955 56.26602       30.76558 135.1181       25.55853 29.19248 9.441707 50.08016 5.293955 -20.88768      10.82459 
1 1 1 -27 17 13 o 57.16492 4.027599 169.3173       22.39202 113.0282       34.03048 212.2970       29.73634 42.89410 8.405925 63.28351 4.837207 -20.38941      9.698358 
1 1 1 -27 17 14 o 43.67601 4.866050 101.8262       20.45012 86.98862       31.57526 112.5472       26.83998 36.96297 8.845461 44.75437 6.301113 -7.791401      10.86030 
1 1 1 -27 17 15 o 26.94895 8.000303 45.15687       22.63043 43.66814       28.12644 47.89000       38.10976 25.99951 9.034720 26.61144 10.29169 -0.6119347     13.69471 
1 1 1 -27 17 16 o 32.00541 7.597641 62.08553       23.44358 69.29314       28.81382 47.97000       40.32310 32.75754 8.800034 26.57139 10.49506 6.186155       13.69624 
1 1 1 -27 17 17 o 22.15657 8.110891 28.82528       22.96276 28.68754       28.50289 29.08000       38.76093 22.46295 8.838692 23.35365 9.867496 -0.8906975     13.24726 
1 1 1 -27 17 18 o 28.51620 7.241197 49.01910       20.24605 -1.369659      28.74501 98.62482       28.52079 17.36222 7.863001 40.63938 7.444060 -23.27716      10.82778 
1 1 1 -27 17 19 o 23.08326 7.963678 32.54752       21.83622 39.91000       34.90487 27.81327       27.98976 24.84985 9.780104 22.14396 8.744696 2.705883       13.11946 
1 1 1 -27 17 20 o 30.42245 7.519000 56.71093       22.26031 70.25000       34.73250 47.27274       28.99920 31.33589 10.02235 26.54031 9.176400 4.795580       13.58874 
1 1 1 -27 17 21 o 15.51236 6.826108 2.139183       20.08172 -0.6092274     28.88840 4.709223       27.93526 17.36366 7.871204 17.89763 7.954588 -0.5339680     11.19068 
1 1 1 -27 17 22 o 24.12736 7.697304 36.45093       20.49686 34.05297       28.68313 38.95324       29.30059 23.24234 8.944467 24.32514 9.114217 -1.082792      12.76998 
1 1 1 -27 17 23 o 16.41160 7.010307 7.444933       19.93291 -20.88821      27.41719 39.21110       29.03074 14.55726 6.940330 24.30667 9.079298 -9.749414      11.42812 
1 1 1 -27 17 24 o 21.98080 7.719707 29.82822       20.56662 51.28624       28.28160 5.744036       29.96230 27.18742 9.066422 18.25465 8.167295 8.932774       12.20265 
1 1 1 -27 17 25 o 33.11983 6.889878 65.90232       21.60764 56.58010       30.08273 75.83759       31.05614 28.19454 9.349195 32.99883 9.246632 -4.804285      13.14944 
1 1 1 -27 17 26 o 34.43331 6.536168 70.25379       21.22414 57.99854       29.46581 83.46812       30.59709 28.44925 9.243165 34.94923 8.916448 -6.499975      12.84286 
1 1 1 -27 17 27 o 26.53343 7.647556 45.65277       20.94628 76.40524       29.36555 13.79986       29.88634 33.20197 8.868136 19.11362 8.371616 14.08835       12.19540 
1 1 1 -27 17 28 o 15.46725 6.833941 3.304031       20.32121 -5.761705      28.03192 13.34518       29.50143 16.07632 7.457201 18.92940 8.303478 -2.853079      11.16054 
1 1 1 -27 17 29 o 19.08946 7.500239 20.55640       20.49777 25.56281       28.28605 15.02005       29.74544 20.76844 8.575166 19.12573 8.365000 1.642715       11.97943 
1 1 1 -27 17 30 o 11.71351 5.671000 -23.29958      19.98982 -47.75703      27.54942 3.894740       29.04999 12.19868 6.052530 17.41546 7.894090 -5.216781      9.947350 
1 1 1 -27 17 31 o 22.04185 7.874643 31.68853       21.47805 47.07928       30.56643 16.67826       30.18625 25.15559 9.331806 19.42630 8.462858 5.729288       12.59772 
1 1 1 -27 17 32 o 16.49318 7.163160 8.163107       21.48853 -0.8360268     30.77938 16.72015       30.01383 17.05933 7.878339 19.28673 8.419713 -2.227402      11.53082 
1 1 1 -27 17 33 o 18.43568 8.335062 8.787087       32.13823 -1.508000      50.38253 15.85000       41.73081 19.69229 9.393992 20.35453 9.316608 -0.6622410     13.23051 
1 1 1 -27 17 34 o 21.42134 7.958368 30.12480       22.24649 61.14534       31.45711 -0.9122344     31.46547 27.98772 9.561682 17.13102 7.930521 10.85670       12.42252 
1 1 1 -27 17 35 o 29.87123 8.329576 61.89697       25.26717 70.33000       40.68216 56.60102       32.23917 28.03805 10.68662 26.71926 9.635253 1.318796       14.38895 
1 1 1 -27 17 36 o 22.25060 8.318585 34.19717       24.38063 51.01000       38.34517 22.78791       31.58778 24.74052 10.07321 20.18459 8.725765 4.555931       13.32699 
1 1 1 -27 17 37 o 16.58170 7.232794 8.829214       22.10857 1.173611       30.83299 16.93075       31.71828 17.10097 7.893162 19.24947 8.519915 -2.148500      11.61426 
1 1 1 -27 17 38 o 17.07878 7.351178 11.53291       22.23070 49.15705       31.74399 -24.67906      31.14256 24.85144 9.447577 14.62726 7.080875 10.22418       11.80659 
1 1 1 -27 17 39 o 13.52709 6.369137 -10.28438      21.74504 4.520359       31.16638 -24.32734      30.35396 17.35824 7.984345 14.36380 6.962202 2.994436       10.59349 
1 1 1 -27 17 40 o 15.15563 6.908614 0.8517111      22.64286 -30.00976      32.46232 30.09321       31.59883 14.29371 6.988404 20.76715 8.847288 -6.473434      11.27441 
1 1 1 -27 17 41 o 18.92016 7.819346 22.59457       23.54931 69.06454       33.89751 -20.75633      32.74015 27.63971 9.890675 14.89981 7.224057 12.73989       12.24796 
1 1 1 -27 17 42 o 17.43076 8.023555 9.131510       31.55363 13.18000       42.16191 3.977000       47.57375 18.81066 8.860529 18.49925 8.904530 0.3114128      12.56183 
1 1 1 -27 18 1  o 50.99282 3.945091 134.2493       19.53817 98.36169       32.26289 155.0331       24.55239 40.02021 8.498844 54.26813 4.667436 -14.24792      9.696149 
1 1 1 -27 18 2  o 37.23341 4.781279 73.69639       17.02370 47.82693       28.23963 88.46411       21.33645 27.38699 9.057418 40.31109 5.554961 -12.92410      10.62518 
1 1 1 -27 18 3  o 43.03176 4.464141 97.21865       18.53040 94.86658       32.32138 98.37030       22.61643 39.09819 8.672646 42.52137 5.567493 -3.423187      10.30591 
1 1 1 -27 18 4  o 30.73432 6.030643 52.86693       17.49411 42.58059       31.07559 57.63928       21.16679 25.96642 9.446314 31.43352 7.053278 -5.467100      11.78905 
1 1 1 -27 18 5  o 26.39730 6.975163 40.82402       18.29051 27.27000       37.88510 44.94344       20.88585 23.43596 9.819954 27.37022 7.550739 -3.934259      12.38730 
1 1 1 -27 18 6  o 40.06015 6.175370 89.42188       23.43773 29.71385       31.49751 163.5000       35.08365 23.25928 9.247280 53.66790 6.833329 -30.40861      11.49811 
1 1 1 -27 18 7  o 50.71959 5.153399 137.7608       25.22957 108.7984       33.73909 174.5000       37.99971 42.10908 8.479251 54.98875 7.235303 -12.87967      11.14663 
1 1 1 -27 18 8  o 14.55007 6.323740 1.642472       16.77203 18.60168       28.79396 -7.066395      20.63381 20.76789 8.620381 14.38075 6.570523 6.387140       10.83895 
1 1 1 -27 18 9  o 49.14822 4.328238 126.3514       20.60962 90.41471       33.11103 149.0803       26.33253 37.55227 9.103657 52.71370 5.169857 -15.16143      10.46919 
1 1 1 -27 18 10 o 52.94399 4.077653 145.5696       20.96894 119.9965       33.30793 162.3593       26.98839 44.74412 7.893534 55.09618 5.060859 -10.35207      9.376575 
1 1 1 -27 18 11 o 38.59469 5.263673 80.81679       19.36720 29.37860       30.66502 114.9498       24.97974 22.92730 9.121334 45.75036 5.701497 -22.82306      10.75666 
1 1 1 -27 18 12 o 52.53305 4.175438 143.9903       21.29392 121.3768       32.63243 160.7598       28.10130 45.12101 7.662413 54.48855 5.337222 -9.367542      9.338015 
1 1 1 -27 18 13 o 27.07445 7.119491 43.77316       19.11478 44.94635       29.50904 42.92503       25.09014 26.21462 9.243577 25.98967 8.534747 0.2249432      12.58116 
1 1 1 -27 18 14 o 19.40873 7.744380 17.93260       22.16987 18.66646       27.91883 16.68000       36.47505 20.44042 8.486750 21.33691 9.298848 -0.8964958     12.58942 
1 1 1 -27 18 15 o 31.96662 7.591837 62.18249       23.39944 47.19658       29.34658 88.34000       38.77164 26.67444 9.230788 35.00285 10.49113 -8.328417      13.97395 
1 1 1 -27 18 16 o 16.78734 6.990740 9.481771       19.02411 0.8004732      28.23049 16.70381       25.74875 17.52338 7.876984 19.64694 8.153162 -2.123558      11.33671 
1 1 1 -27 18 17 o 27.43572 7.428685 46.01573       20.43580 98.52912       30.23943 1.871772       27.72516 39.99635 8.003686 17.53645 7.850449 22.45990       11.21109 
1 1 1 -27 18 18 o 19.17556 7.627093 17.96312       21.43646 21.61000       33.85853 15.52335       27.69373 21.52955 9.164662 19.67410 8.328056 1.855452       12.38336 
1 1 1 -27 18 19 o 15.34748 6.868681 -0.8132281     21.20889 38.02000       33.62929 -26.45932      27.32917 24.28624 9.586951 14.08308 6.771185 10.20316       11.73706 
1 1 1 -27 18 20 o 29.21912 7.416719 52.66919       21.24543 76.41061       30.62110 30.63237       29.50134 33.62187 9.089024 22.55543 8.955282 11.06644       12.75960 
1 1 1 -27 18 21 o 35.12109 6.435341 71.69422       21.30807 68.63332       29.79553 74.89835       30.48461 31.69389 9.116776 33.20016 9.107807 -1.506268      12.88673 
1 1 1 -27 18 22 o 34.37747 6.598173 69.60672       21.39545 79.40034       30.07376 59.56974       30.44512 34.37780 8.876248 28.98939 9.393736 5.388411       12.92401 
1 1 1 -27 18 23 o 16.60390 7.070556 8.434437       20.16625 3.502822       27.76246 13.94311       29.34180 17.48048 7.838244 19.34196 8.385567 -1.861481      11.47849 
1 1 1 -27 18 24 o 33.90142 6.816233 68.90931       21.83375 70.13151       30.16936 67.56522       31.63814 31.61677 9.197635 30.55719 9.539133 1.059586       13.25110 
1 1 1 -27 18 25 o 23.36760 7.853281 35.35902       21.21446 17.26327       29.20901 55.56192       30.86280 19.66146 8.444079 27.50311 9.468528 -7.841656      12.68682 
1 1 1 -27 18 26 o 19.34345 7.557199 21.17487       20.71168 33.20465       28.77678 8.245582       29.83326 22.41671 8.862283 18.25048 8.158688 4.166222       12.04592 
1 1 1 -27 18 27 f 21.42354 7.765893 29.15977       20.97745 21.86602       29.44727 36.67493       29.89090 20.26922 8.584171 23.07425 9.059765 -2.805023      12.48068 
1 1 1 -27 18 28 o 42.78288 5.538499 104.0319       22.64987 107.0989       31.84892 100.8935       32.21778 40.05612 8.392175 38.30148 8.781390 1.754642       12.14666 
1 1 1 -27 18 29 o 30.58792 7.383857 59.72811       21.85394 63.96125       30.55179 55.29272       31.27311 29.16315 9.406845 26.88476 9.512615 2.278387       13.37829 
1 1 1 -27 18 30 o 16.90807 7.204010 10.57285       20.95471 6.303013       29.67072 14.82187       29.59829 17.83293 8.040587 19.04221 8.335992 -1.209288      11.58187 
1 1 1 -27 18 31 o 16.18404 7.328397 1.707255       24.95864 6.769118       30.02178 -9.620000      44.91006 17.84687 8.063623 18.45030 8.820037 -0.6034279     11.95053 
1 1 1 -27 18 32 o 21.31014 8.988029 28.66966       32.06649 30.36000       52.27668 27.65000       40.60218 22.38177 10.31159 21.58200 9.591149 0.7997780      14.08258 
1 1 1 -27 18 33 o 19.78244 7.691404 23.80483       21.37108 19.69356       30.16679 27.94704       30.28008 19.68014 8.517470 21.06431 8.799346 -1.384172      12.24646 
1 1 1 -27 18 34 o 14.13007 6.633790 -10.31650      23.29133 1.847000       35.62739 -19.39507      30.77963 18.06516 8.389108 15.09210 7.237914 2.973058       11.07992 
1 1 1 -27 18 35 o 17.16779 7.353735 11.79449       22.04473 11.46208       31.14567 12.12819       31.20634 18.50289 8.298981 18.60070 8.327664 -0.9780884E-01 11.75683 
1 1 1 -27 18 36 o 14.90892 6.766757 -0.2587353     21.43033 -14.86309      30.68107 13.65458       29.94640 15.38323 7.336263 18.56137 8.243547 -3.178140      11.03525 
1 1 1 -27 18 37 o 19.59773 7.787198 23.56403       22.32427 23.65349       32.16191 23.48086       31.01206 20.22657 8.774138 20.12301 8.672205 0.1035538      12.33664 
1 1 1 -27 18 38 o 12.76362 6.107386 -16.66175      21.64439 -20.02068      30.80200 -13.38536      30.42114 14.81976 7.141403 15.33069 7.309515 -0.5109367     10.21903 
1 1 1 -27 18 39 o 17.41660 7.454010 14.38825       22.61503 -18.34038      32.78358 44.10247       31.23738 15.26539 7.359005 23.32278 9.229334 -8.057393      11.80405 
1 1 1 -27 18 40 o 24.17042 8.330132 44.31469       23.88987 12.81174       34.09167 74.71039       33.48719 18.32605 8.400353 29.12382 9.866754 -10.79777      12.95835 
1 1 1 -27 18 41 o 12.75912 6.140777 -17.54266      22.60862 -17.83245      32.39499 -17.26748      31.56789 15.00290 7.252824 14.89065 7.189003 0.1122475      10.21201 
1 1 1 -27 19 1  f 52.97525 4.085475 145.7193       21.02112 79.12287       33.11468 190.6687       27.20552 34.59088 9.493866 60.12998 4.658629 -25.53910      10.57527 
1 1 1 -27 19 2  o 30.45703 6.310222 52.75491       18.19315 26.89334       30.45385 67.10647       22.68634 22.49549 9.042310 33.88398 7.069127 -11.38849      11.47763 
1 1 1 -27 19 3  o 44.08566 4.524458 102.4703       19.24730 82.08485       32.33685 113.6548       23.95230 35.54999 9.217026 45.73399 5.458209 -10.18400      10.71194 
1 1 1 -27 19 4  o 38.08057 5.262832 78.59834       19.09298 31.13709       32.24963 104.2115       23.69119 23.44330 9.345015 43.58368 5.689037 -20.14038      10.94050 
1 1 1 -27 19 5  o 50.24240 4.226165 131.7679       20.59122 131.5901       34.98762 131.8621       25.46918 46.84495 7.911855 49.35367 5.358040 -2.508720      9.555420 
1 1 1 -27 19 6  o 38.37960 5.164762 79.64585       18.91044 72.78503       32.95646 83.01357       23.08981 32.88078 9.626632 38.28906 6.385592 -5.408287      11.55196 
1 1 1 -27 19 7  o 18.87770 7.167413 18.01490       18.25599 11.98000       37.57693 19.87940       20.88658 20.97402 9.278800 19.75539 7.624722 1.218630       12.00968 
1 1 1 -27 19 8  o 32.09502 7.493420 61.95231       23.11133 82.03613       31.43961 38.34000       34.08971 35.60503 9.013954 24.80315 9.693884 10.80188       13.23717 
1 1 1 -27 19 9  o 24.06816 7.148842 34.59060       18.06593 9.667439       29.22968 49.99669       22.98099 19.14604 8.334405 28.36410 7.956395 -9.218060      11.52244 
1 1 1 -27 19 10 o 14.08215 6.231288 -0.6368834     16.95638 -30.94679      27.74504 17.43327       21.42269 13.91567 6.723542 19.17792 7.625746 -5.262245      10.16651 
1 1 1 -27 19 11 o 11.17691 5.361483 -19.45211      16.91067 -33.43913      27.24171 -10.68315      21.56979 13.53873 6.570103 14.09371 6.538881 -0.5549812     9.269478 
1 1 1 -27 19 12 f 22.93116 8.044753 31.81181       22.33096 9.020844       28.35848 69.01000       36.22951 18.81496 8.199496 31.02483 10.25897 -12.20987      13.13309 
1 1 1 -27 19 13 o 29.13543 7.918536 53.02819       23.16824 34.25280       29.35900 84.02000       37.71987 23.60366 9.058039 34.12529 10.37407 -10.52163      13.77205 
1 1 1 -27 19 14 o 26.44029 8.190307 44.38150       23.37326 35.36601       29.77786 58.85000       37.72337 23.83451 9.128528 28.48193 10.40072 -4.647421      13.83853 
1 1 1 -27 19 15 o 35.54227 6.052291 71.48326       20.30193 62.63742       30.02092 78.93792       27.55930 30.39564 9.257971 35.54917 8.101205 -5.153526      12.30201 
1 1 1 -27 19 16 o 13.91155 6.318945 -4.766305      18.73205 1.920889       27.11310 -10.87322      25.91006 17.35209 7.765953 15.33516 7.132504 2.016930       10.54432 
1 1 1 -27 19 17 o 18.19915 7.424200 14.36821       20.87778 20.36000       33.22558 10.45880       26.83800 21.17016 9.047095 18.58587 8.038838 2.584288       12.10260 
1 1 1 -27 19 18 o 20.53232 7.780775 23.97363       21.48957 10.38000       34.21598 32.82860       27.61561 19.75729 8.790977 22.94810 8.790402 -3.190809      12.43191 
1 1 1 -27 19 19 o 34.04353 6.720581 68.44456       21.59958 39.05494       30.72390 97.16476       30.37197 24.26436 9.277559 39.17385 8.185040 -14.90949      12.37206 
1 1 1 -27 19 20 o 31.91316 7.133152 61.87393       21.72119 53.72754       30.19919 70.60567       31.26535 27.59111 9.369617 31.70005 9.401742 -4.108936      13.27338 
1 1 1 -27 19 21 o 44.50781 5.371421 109.8759       22.92818 146.0130       32.43599 73.78625       32.41471 49.65646 6.856129 32.05894 9.588830 17.59752       11.78780 
1 1 1 -27 19 22 o 14.11957 6.467328 -5.577456      20.15637 4.051370       27.79025 -16.26541      29.27879 17.53656 7.854393 15.43620 7.304969 2.100360       10.72633 
1 1 1 -27 19 23 o 16.41914 7.039922 7.901597       20.23982 -33.61318      27.57848 56.36400       29.79693 13.34059 6.504714 27.94948 9.305788 -14.60889      11.35381 
1 1 1 -27 19 24 o 23.24569 7.828157 35.13247       21.07845 3.687902       28.97160 70.49701       30.72441 17.53437 7.921984 31.21064 9.335560 -13.67627      12.24379 
1 1 1 -27 19 25 o 19.23148 7.563013 20.83239       20.85901 12.07590       28.80155 30.49171       30.24990 18.59540 8.179105 21.85082 8.927936 -3.255424      12.10809 
1 1 1 -27 19 26 o 17.46926 7.272142 13.44252       20.57600 18.91090       28.20885 7.225118       30.07881 19.58872 8.352693 18.07509 8.127391 1.513630       11.65427 
1 1 1 -27 19 27 o 23.83217 7.789041 37.82608       20.90818 40.28601       28.99449 35.16119       30.17827 23.68217 9.022948 22.57786 9.026593 1.104309       12.76295 
1 1 1 -27 19 28 o 12.68481 6.034177 -15.84092      20.49107 -33.26198      28.68186 2.320578       29.28505 13.51948 6.601026 17.22187 7.852941 -3.702394      10.25876 
1 1 1 -27 19 29 o 24.62035 7.937814 40.85357       21.75623 43.12735       31.00157 38.64706       30.53954 24.16596 9.299184 23.26771 9.150947 0.8982563      13.04663 
1 1 1 -27 19 30 o 15.96428 7.278395 -0.9403555E-02 25.14445 23.50662       30.43332 -50.59000      44.63333 20.34680 8.675854 15.79072 7.811461 4.556084       11.67430 
1 1 1 -27 19 31 o 19.00545 8.456082 13.97121       31.65524 -33.01000      52.29570 41.14000       39.76848 17.87573 8.766797 23.31281 9.928342 -5.437082      13.24495 
1 1 1 -27 19 32 o 14.70207 6.684878 -1.443360      21.03121 9.632497       29.62161 -12.70207      29.86513 18.09613 8.106736 15.51512 7.352765 2.581014       10.94451 
1 1 1 -27 19 33 o 15.16068 6.914865 -1.250569      22.72538 -11.54000      35.56017 5.852798       29.54610 16.73948 7.959028 17.54916 7.957285 -0.8096733     11.25453 
1 1 1 -27 19 34 o 17.94899 7.460447 16.07823       21.60803 -5.189473      30.25577 38.21857       30.87024 16.32125 7.629655 22.82920 9.128679 -6.507944      11.89724 
1 1 1 -27 19 35 o 42.12993 5.946583 104.5958       23.84133 122.0973       34.18697 88.02523       33.26539 41.91986 8.619769 33.69267 9.614424 8.227192       12.91269 
1 1 1 -27 19 36 o 14.93880 6.763526 0.3616702      21.24987 -7.079785      30.03215 7.822679       30.07158 15.99272 7.515997 17.74768 8.039497 -1.754966      11.00562 
1 1 1 -27 19 37 o 15.43064 6.904706 3.812975       21.42202 -15.33027      29.93538 23.90539       30.66854 15.03727 7.191854 19.94038 8.608953 -4.903117      11.21770 
1 1 1 -27 19 38 o 19.78506 7.799711 25.72145       22.23281 28.08614       31.42953 23.35301       31.45435 20.45489 8.771548 19.72553 8.615176 0.7293530      12.29477 
1 1 1 -27 19 39 o 21.36070 8.039648 33.05819       22.85390 32.80028       32.75574 33.30283       31.90176 20.96238 8.971198 21.04938 8.925550 -0.8700371E-01 12.65495 
1 1 1 -27 19 40 o 18.90141 7.743587 22.94004       22.83262 17.09293       32.09379 28.93251       32.49026 18.56300 8.366769 20.23103 8.797070 -1.668028      12.14048 
1 1 1 -27 20 1  o 37.86827 6.819773 83.15997       24.34896 59.00208       32.44706 114.3000       36.83879 29.30611 9.709358 41.95408 9.222532 -12.64797      13.39129 
1 1 1 -27 20 2  o 63.16033 3.868517 206.3148       23.80164 123.8336       37.13516 263.8248       31.00843 44.10568 8.908791 70.79316 4.498152 -26.68748      9.979976 
1 1 1 -27 20 3  o 45.88113 4.696476 112.0052       20.79445 38.64572       33.49801 157.9977       26.52370 24.74011 9.626499 54.22285 5.055682 -29.48274      10.87333 
1 1 1 -27 20 4  o 32.89220 5.881879 60.64321       18.24198 43.68972       30.96771 69.65206       22.57430 25.81247 9.423882 34.49683 6.926283 -8.684359      11.69542 
1 1 1 -27 20 5  o 35.26189 5.637232 68.84737       18.80208 23.63410       32.78855 90.99868       22.95032 21.93522 9.159378 40.33376 5.995240 -18.39854      10.94701 
1 1 1 -27 20 6  o 23.76479 7.031884 33.63383       17.50649 -10.73497      29.90176 56.77397       21.59439 16.53272 7.680218 30.76920 7.283701 -14.23648      10.58480 
1 1 1 -27 20 7  o 29.12943 6.530680 49.28101       18.15968 14.81275       30.57054 68.07571       22.57413 20.14353 8.644670 33.99269 7.017190 -13.84916      11.13424 
1 1 1 -27 20 8  o 18.91837 7.199808 18.39535       18.44815 -15.15000      35.51859 30.78809       21.58854 17.37692 8.168787 22.62882 7.912001 -5.251907      11.37228 
1 1 1 -27 20 9  o 19.77599 7.216222 21.57790       18.15455 13.27431       29.62769 26.57005       22.97253 19.69210 8.481373 21.51863 8.068655 -1.826530      11.70627 
1 1 1 -27 20 10 o 36.16000 7.173365 77.72414       24.49303 65.81817       31.04878 97.34000       39.85344 31.05153 9.406400 36.61134 10.54771 -5.559805      14.13275 
1 1 1 -27 20 11 o 43.32239 6.163856 106.0432       25.40132 88.57610       31.97976 135.9000       41.81054 36.81981 8.959636 44.88647 9.792320 -8.066662      13.27270 
1 1 1 -27 20 12 o 37.32288 7.018573 82.20034       24.69979 62.39697       31.00473 116.6000       40.86349 30.12082 9.449108 40.72540 10.25790 -10.60458      13.94669 
1 1 1 -27 20 13 o 20.27770 7.503978 23.08677       19.74320 -5.123480      29.54311 45.85312       26.53991 16.99054 7.799932 26.39298 8.782344 -9.402443      11.74600 
1 1 1 -27 20 14 o 18.16960 7.232100 15.44747       19.28694 24.90780       29.14447 8.076293       25.72597 21.52330 8.774949 17.96977 7.820704 3.553530       11.75428 
1 1 1 -27 20 15 o 17.61455 7.315497 11.95643       20.75260 -26.45000      34.02509 34.70704       26.18748 15.84360 7.601379 23.43272 8.647540 -7.589127      11.51351 
1 1 1 -27 20 16 o 18.97917 7.550576 18.03020       21.01282 3.203000       34.79261 26.54370       26.36402 18.91436 8.599374 21.47077 8.484409 -2.556416      12.08033 
1 1 1 -27 20 17 o 16.54572 7.002549 8.542544       19.57385 -11.58482      28.52068 26.46404       26.91247 15.83029 7.402596 21.45937 8.542509 -5.629077      11.30367 
1 1 1 -27 20 18 f 19.36323 7.437378 20.42276       19.80515 9.985064       27.96919 30.91968       28.04841 18.53828 8.109654 22.40594 8.782442 -3.867657      11.95399 
1 1 1 -27 20 19 o 15.55287 6.843766 3.027549       20.18461 28.67166       28.84059 -21.59273      28.25900 21.88050 8.798003 14.64651 7.000240 7.233994       11.24314 
1 1 1 -27 20 20 o 28.52946 7.462867 51.11752       21.07496 36.02218       29.35023 67.18495       30.28053 23.38581 9.035134 30.84746 9.277314 -7.461651      12.94999 
1 1 1 -27 20 21 o 16.63684 7.082835 8.912415       20.22763 32.67207       28.06201 -16.78394      29.18330 22.55476 8.800961 15.30027 7.256037 7.254485       11.40645 
1 1 1 -27 20 22 o 21.86619 7.856957 30.32050       21.41468 22.03298       30.06365 38.85658       30.51117 20.51271 8.679785 23.70667 9.197643 -3.193956      12.64655 
1 1 1 -27 20 23 o 48.35746 5.181184 129.9819       24.14255 102.0217       33.39214 160.6054       34.94629 38.33062 9.046614 51.20162 7.169062 -12.87101      11.54282 
1 1 1 -27 20 24 o 31.75380 7.351382 63.80766       22.39782 68.81492       31.29559 58.54978       32.06919 30.32151 9.490614 27.61566 9.644003 2.705843       13.53065 
1 1 1 -27 20 25 o 32.81670 7.132742 67.34777       22.25623 71.51628       30.78036 62.78049       32.21902 31.03850 9.357751 28.45231 9.677661 2.586184       13.46197 
1 1 1 -27 20 26 o 12.85191 6.086665 -14.03517      20.40151 28.43522       28.23612 -60.42480      29.51021 21.19820 8.639108 11.97200 5.990784 9.226205       10.51302 
1 1 1 -27 20 27 o 15.19524 6.786841 1.826598       20.59554 -54.57170      28.51512 63.33500       29.77895 12.03635 6.002286 29.14616 9.275599 -17.10982      11.04827 
1 1 1 -27 20 28 o 33.23223 6.982928 68.70863       21.99145 46.71698       30.41821 92.79073       31.83110 24.88348 9.293935 36.11901 9.028749 -11.23553      12.95745 
1 1 1 -27 20 29 o 16.56910 7.418433 4.839973       24.76697 19.06859       29.66452 -27.90000      44.99821 19.53396 8.450236 17.14156 8.347057 2.392399       11.87770 
1 1 1 -27 20 30 o 15.85372 7.162934 1.806885       23.68826 -20.37102      29.30465 43.62000       40.23764 14.65452 7.037036 23.59489 10.01528 -8.940372      12.24033 
1 1 1 -27 20 31 f 12.96350 6.140320 -13.60679      20.77581 -24.52765      29.42912 -2.756423      29.33398 14.31045 6.916802 16.44873 7.629420 -2.138272      10.29807 
1 1 1 -27 20 32 o 15.22238 6.949679 -1.227052      23.02591 14.62000       36.04918 -12.14793      29.92609 19.48620 8.817124 15.54407 7.364657 3.942126       11.48825 
1 1 1 -27 20 33 o 11.69402 5.696278 -26.11508      21.00449 -19.73747      30.58689 -31.80663      28.89493 14.94667 7.180449 13.54576 6.616379 1.400905       9.763980 
1 1 1 -27 20 34 o 14.59653 6.690880 -2.508826      21.62899 -21.77758      30.82191 16.18592       30.35936 14.76543 7.122344 18.91794 8.356039 -4.152511      10.97958 
1 1 1 -27 20 35 o 12.68450 6.059536 -16.35745      21.11921 -19.36743      30.20837 -13.47975      29.53709 14.82892 7.126989 15.22204 7.242147 -0.3931189     10.16084 
1 1 1 -27 20 36 o 17.29798 7.341730 14.02482       21.61879 1.325219       30.83066 26.30951       30.32284 16.89879 7.832446 20.28160 8.654432 -3.382807      11.67246 
1 1 1 -27 20 37 o 15.22707 6.867939 2.813289       21.66819 -8.604331      30.70374 14.14167       30.58352 15.71598 7.450104 18.32189 8.220303 -2.605902      11.09403 
1 1 1 -27 20 38 o 13.70983 6.433264 -7.649416      21.85722 -30.31339      31.39552 13.66696       30.44783 13.92879 6.823143 18.05691 8.143064 -4.128122      10.62378 
1 1 1 -27 20 39 o 16.93819 7.338641 13.34890       22.44287 9.990893       32.01511 16.59352       31.46992 17.63850 8.105597 18.40189 8.290406 -0.7633877     11.59446 
1 1 1 -27 21 1  o 52.57433 5.423258 151.1752       27.50871 116.2785       36.11533 199.4000       42.45559 42.40371 8.981103 57.54073 7.733579 -15.13702      11.85194 
1 1 1 -27 21 2  o 65.91551 4.790209 231.7835       30.69547 189.9140       39.61353 294.7000       48.55984 56.69205 7.308490 71.06403 7.074947 -14.37197      10.17197 
1 1 1 -27 21 3  o 67.27860 3.875739 234.6488       25.41533 168.8984       39.68978 280.3488       33.08928 52.64428 7.949801 72.64592 4.678266 -20.00164      9.224181 
1 1 1 -27 21 4  o 40.53212 5.277677 89.81101       20.44184 57.96787       33.19038 109.2722       25.94712 28.70113 9.821152 43.92592 6.207597 -15.22479      11.61849 
1 1 1 -27 21 5  o 39.87152 5.175271 86.60193       19.72161 48.08288       32.16052 109.8165       24.96694 26.52834 9.615709 44.31512 5.902462 -17.78678      11.28277 
1 1 1 -27 21 6  o 36.43361 5.555134 73.54336       19.18509 38.54393       30.96791 95.34264       24.44007 24.47762 9.325209 40.91340 6.305086 -16.43578      11.25671 
1 1 1 -27 21 7  o 44.92008 4.677448 107.7557       20.26540 56.72238       32.04420 141.7715       26.16154 28.53957 9.651935 50.97451 5.321585 -22.43493      11.02176 
1 1 1 -27 21 8  o 16.84328 6.892618 10.92878       18.06447 -15.28964      29.79763 26.16405       22.71451 15.90144 7.477325 21.31423 8.016612 -5.412784      10.96250 
1 1 1 -27 21 9  o 18.09377 7.572996 12.25408       22.49283 7.648352       29.20425 18.97000       35.26549 18.63829 8.215568 21.26289 9.205822 -2.624599      12.33867 
1 1 1 -27 21 10 o 21.08386 8.456211 23.91041       26.57199 -17.31000      36.99863 67.82000       38.18644 17.35777 8.213555 30.07755 10.52230 -12.71977      13.34846 
1 1 1 -27 21 11 o 37.70023 7.175299 84.90630       25.51129 61.21404       32.60647 122.3000       40.96377 29.36893 9.733287 41.74863 10.12882 -12.37969      14.04741 
1 1 1 -27 21 12 o 34.76989 7.449402 73.69969       24.59004 45.19624       30.73454 124.4000       40.99051 25.73718 9.389583 42.12514 10.07674 -16.38797      13.77334 
1 1 1 -27 21 13 o 21.78593 7.631107 28.78937       20.08849 -0.3370467     30.23470 51.80960       26.87924 17.60588 8.009109 27.72479 8.811177 -10.11891      11.90725 
1 1 1 -27 21 14 f 31.29119 7.427122 60.44740       22.40540 64.63000       37.75194 58.17307       27.83828 29.05536 10.43302 29.21841 8.918179 -0.1630554     13.72522 
1 1 1 -27 21 15 o 28.27273 7.787686 50.79924       22.23653 52.74000       36.96784 49.69894       27.83515 26.70231 10.18478 26.91609 8.994969 -0.2137833     13.58820 
1 1 1 -27 21 16 o 16.31385 6.954810 7.714523       19.54975 -3.435978      28.15265 18.09915       27.16863 16.64475 7.631158 19.74842 8.297981 -3.103674      11.27347 
1 1 1 -27 21 17 o 30.19496 7.269217 56.42991       21.22526 62.96710       30.59323 50.36302       29.47224 29.64283 9.397769 26.65740 9.249187 2.985430       13.18581 
1 1 1 -27 21 18 o 15.11162 6.733393 0.7148774      20.14638 4.601690       28.81475 -3.002171      28.17846 17.79084 7.980785 16.64434 7.632342 1.146496       11.04290 
1 1 1 -27 21 19 o 14.82639 6.674679 -1.162167      20.35630 -10.37506      28.81674 8.014272       28.75966 15.87842 7.430242 18.21219 8.084066 -2.333770      10.98001 
1 1 1 -27 21 20 o 30.76325 7.272598 59.12114       21.55151 61.22709       30.47098 57.01313       30.48589 28.90861 9.400019 27.84728 9.414337 1.061331       13.30376 
1 1 1 -27 21 21 o 15.21284 6.771465 1.828459       20.32056 10.81800       28.40939 -7.588869      29.07749 18.38629 8.103800 16.10929 7.513746 2.276997       11.05115 
1 1 1 -27 21 22 o 16.54646 7.141231 8.481845       21.08857 -13.42122      29.48560 31.41927       30.17379 15.50977 7.337087 21.94831 8.935928 -6.438541      11.56217 
1 1 1 -27 21 23 o 17.69851 7.373707 14.19184       21.18027 6.343813       29.50487 22.53594       30.42307 17.81689 8.027078 20.36679 8.679070 -2.549902      11.82202 
1 1 1 -27 21 24 o 18.19675 7.434533 16.91325       20.97493 19.60100       28.80069 13.87763       30.60777 19.62880 8.406580 18.95177 8.379687 0.6770248      11.86970 
1 1 1 -27 21 25 o 30.28827 7.587887 59.73686       22.44641 31.40045       31.40931 89.31413       32.08965 21.82101 9.025505 35.12938 9.218329 -13.30837      12.90106 
1 1 1 -27 21 26 o 18.96321 7.548940 20.18151       21.01649 -1.957466      28.95335 44.83740       30.55487 16.58704 7.653393 24.51396 9.280566 -7.926920      12.02927 
1 1 1 -27 21 27 f 16.72033 7.424954 6.461010       24.28654 -21.52709      29.58973 64.24000       42.51471 14.63990 7.040644 26.70408 10.70110 -12.06418      12.80954 
1 1 1 -27 21 28 o 14.73686 7.158729 -28.69750      32.55762 -44.15000      53.80276 -19.77000      40.89499 17.47310 8.631351 17.02248 8.209316 0.4506226      11.91189 
1 1 1 -27 21 29 o 18.61133 7.838436 17.58052       24.33201 1.621760       29.55791 51.13000       42.85653 16.99372 7.801575 24.49431 10.36386 -7.500586      12.97205 
1 1 1 -27 21 30 o 16.03457 7.023527 6.750576       21.03946 6.979739       29.62634 6.517411       29.88391 17.68399 7.998235 17.66464 8.006861 0.1934814E-01  11.31731 
1 1 1 -27 21 31 o 23.40840 8.265838 38.54208       23.60305 56.85000       37.52274 26.55479       30.36237 25.78711 10.14289 20.68571 8.736406 5.101400       13.38667 
1 1 1 -27 21 32 o 15.05245 6.754017 1.951713       20.65090 -12.53298      29.15995 16.52581       29.24981 15.26422 7.243069 18.88946 8.277479 -3.625234      10.99903 
1 1 1 -27 21 33 o 26.49603 7.896626 48.61159       22.01373 56.98724       31.65228 40.76476       30.63676 26.44460 9.545706 23.10754 9.141433 3.337053       13.21689 
1 1 1 -27 21 34 o 14.92878 6.753023 0.7163382      21.12827 0.2196349E-02  29.51057 1.467383       30.26343 16.63126 7.692513 16.93669 7.818260 -0.3054333     10.96813 
1 1 1 -27 21 35 o 21.43852 7.883356 31.87897       21.73104 58.23417       30.77211 5.659612       30.69270 26.59778 9.433708 17.35445 7.960790 9.243330       12.34378 
1 1 1 -27 21 36 o 13.38140 6.289537 -9.029169      21.04173 -24.01429      29.70642 6.059453       29.80884 14.11627 6.852818 17.14756 7.858228 -3.031286      10.42655 
1 1 1 -27 21 37 o 20.14684 7.833095 28.14622       22.16576 4.580778       31.22920 52.07097       31.46638 17.01735 7.885839 24.53193 9.386729 -7.514570      12.25957 
1 1 1 -27 21 38 o 20.29617 7.858139 29.36030       22.23641 30.09536       31.43274 28.62391       31.46135 20.29578 8.738592 20.06713 8.691610 0.2286510      12.32506 
1 1 1 -27 22 1  o 16.10598 6.843081 6.948367       18.81594 6.285549       31.99016 7.298962       23.26601 18.93749 8.458346 17.28992 7.481547 1.647568       11.29235 
1 1 1 -27 22 2  o 21.51226 8.200194 26.85024       23.95524 16.21451       32.07267 40.27000       36.02666 20.38274 8.801893 24.73144 9.870922 -4.348700      13.22530 
1 1 1 -27 22 3  o 49.50529 4.671322 130.9613       22.36826 59.05716       35.03961 180.4178       29.05991 28.55385 10.07225 57.58589 5.211885 -29.03205      11.34081 
1 1 1 -27 22 4  o 33.30859 6.399454 64.20954       20.10634 54.95834       32.32726 70.04601       25.67706 27.92368 9.686920 33.42371 7.962484 -5.500027      12.53944 
1 1 1 -27 22 5  o 44.43532 5.083689 107.3607       21.71374 52.99549       33.48833 146.7963       28.52185 27.32700 9.824524 51.30767 5.779664 -23.98067      11.39850 
1 1 1 -27 22 6  o 38.34254 5.530472 81.62816       20.15698 44.24757       32.01757 106.1714       25.94367 25.48816 9.532040 43.03688 6.349091 -17.54872      11.45298 
1 1 1 -27 22 7  o 20.80269 7.390828 25.37119       18.89478 52.17340       30.56232 8.788821       24.03944 27.39224 9.422632 17.68454 7.628412 9.707699       12.12348 
1 1 1 -27 22 8  o 16.24170 7.119084 4.006999       21.64858 4.543445       29.35120 3.367000       32.05915 18.10341 8.092753 18.47686 8.341959 -0.3734493     11.62243 
1 1 1 -27 22 9  o 20.02630 7.792596 21.89936       21.95119 31.59390       29.46296 9.804000       32.90956 22.70457 8.970067 19.43708 8.636591 3.267490       12.45202 
1 1 1 -27 22 10 o 24.05006 7.598116 36.29681       20.01361 9.177730       30.72255 56.28906       26.37854 18.93199 8.381974 28.99213 8.644970 -10.06014      12.04130 
1 1 1 -27 22 11 o 44.83423 5.193633 110.3657       22.37116 65.76050       33.76723 145.2594       29.86596 29.90737 9.904779 50.41166 6.181799 -20.50428      11.67559 
1 1 1 -27 22 12 o 68.19383 5.368299 256.0211       35.54465 0.000000       0.000000 256.0211       35.54465 ?        ?        68.19383 5.368299 ?              ?        
1 1 1 -27 22 13 o 32.89433 8.693374 72.39701       28.40845 79.38000       38.99577 64.50000       41.46947 31.79471 10.64698 28.36594 10.79481 3.428768       15.16199 
1 1 1 -27 22 14 o 15.42428 6.820807 2.240904       20.28502 -2.112462      29.71379 6.040711       27.76043 17.10636 7.841712 17.79999 7.919326 -0.6936264     11.14487 
1 1 1 -27 22 15 o 15.21516 6.731546 1.971156       19.78043 -8.592875      28.14629 12.28008       27.80436 15.94543 7.422280 18.74288 8.144107 -2.797454      11.01893 
1 1 1 -27 22 16 o 26.76127 7.667653 45.88078       21.11595 -2.417367      29.52533 96.44960       30.21141 16.99316 7.799823 38.64424 8.238761 -21.65108      11.34524 
1 1 1 -27 22 17 o 21.84817 7.832266 30.08437       21.26662 30.85690       30.44405 29.34814       29.72010 22.18286 8.996357 21.86448 8.880841 0.3183804      12.64135 
1 1 1 -27 22 18 o 44.91265 5.350435 112.7651       23.05952 104.4627       33.26985 120.4410       31.98997 39.18155 8.880733 43.66061 7.770290 -4.479065      11.80020 
1 1 1 -27 22 19 o 18.23966 7.451959 16.41344       21.07300 27.34947       29.94001 5.677166       29.66532 21.28654 8.808850 17.84442 8.043344 3.442118       11.92859 
1 1 1 -27 22 20 o 29.69953 7.630480 57.34187       22.29955 58.22446       31.62192 56.46878       31.45141 27.53971 9.579118 27.15682 9.545690 0.3828831      13.52330 
1 1 1 -27 22 21 o 23.40309 7.936575 36.62206       21.66728 32.15708       30.37409 41.24821       30.91744 22.04219 8.968749 23.82541 9.254522 -1.783220      12.88738 
1 1 1 -27 22 22 o 16.06815 7.053078 6.011954       21.31740 -26.87674      29.81496 40.40932       30.49113 14.28794 6.919406 23.55514 9.178936 -9.267202      11.49483 
1 1 1 -27 22 23 o 18.57423 7.563914 18.39104       21.62517 -6.877533      30.20039 44.98057       30.97972 16.24574 7.603552 24.42950 9.322127 -8.183764      12.02980 
1 1 1 -27 22 24 o 12.93742 6.125098 -13.85251      20.62676 -4.615238      28.32680 -24.27877      30.09469 16.12039 7.484063 14.57081 7.030788 1.549581       10.26855 
1 1 1 -27 22 25 o 20.07164 7.700142 24.86489       21.21172 7.972419       29.55172 42.81751       30.46492 17.91403 8.055342 23.98810 9.221553 -6.074068      12.24441 
1 1 1 -27 22 26 o 25.14732 8.539095 45.51932       25.08270 11.38562       30.25803 120.5000       44.84600 18.39915 8.221458 36.80801 11.33513 -18.40886      14.00277 
1 1 1 -27 22 27 o 22.76048 8.387563 36.19046       24.62173 31.79209       30.28230 44.77000       42.29363 21.67763 8.903464 23.66237 10.16160 -1.984749      13.51036 
1 1 1 -27 22 28 o 13.34439 6.269337 -10.53861      20.86598 -9.651228      28.53028 -11.55913      30.59579 15.46986 7.287457 15.72429 7.449031 -0.2544327     10.42090 
1 1 1 -27 22 29 o 26.24576 7.927995 47.35135       22.07797 35.59638       30.61127 60.09520       31.87286 22.29560 9.028689 27.36025 9.610053 -5.064653      13.18599 
1 1 1 -27 22 30 o 27.92893 8.330626 55.22741       24.49202 64.76000       37.75313 48.29993       32.18362 27.16313 10.30851 24.67863 9.480393 2.484499       14.00512 
1 1 1 -27 22 31 o 14.45432 6.616041 -2.333685      21.04502 -8.316194      30.10592 3.383167       29.42989 15.84872 7.472085 17.04303 7.809501 -1.194309      10.80835 
1 1 1 -27 22 32 o 16.65205 7.176611 10.63352       21.23929 14.58258       30.41477 6.874791       29.67277 18.61865 8.286075 17.47932 7.944805 1.139336       11.47950 
1 1 1 -27 22 33 o 33.07477 7.117483 70.15211       22.35904 50.05674       31.78479 89.83720       31.45866 24.81157 9.448605 34.69874 9.137769 -9.887177      13.14439 
1 1 1 -27 22 34 o 16.85172 7.219669 12.32432       21.25541 14.44729       30.32025 10.27278       29.80574 18.39889 8.225020 17.77155 8.031604 0.6273384      11.49598 
1 1 1 -27 22 35 o 11.61099 5.655397 -24.18443      20.69301 -22.20901      29.22886 -26.16948      29.29996 14.12795 6.844102 13.82482 6.732761 0.3031301      9.600615 
1 1 1 -27 22 36 o 18.63589 7.580713 21.84933       21.69304 -3.712436      30.41959 48.30060       30.94434 15.95986 7.520316 23.76015 9.250287 -7.800289      11.92153 
1 1 1 -27 22 37 o 16.91405 7.265343 14.08131       21.63016 1.681662       30.32725 26.91961       30.85901 16.40562 7.659089 19.74797 8.580337 -3.342352      11.50147 
1 1 1 -27 23 1  o 32.87410 6.574388 63.65350       20.41547 51.89587       34.01387 70.27441       25.52437 26.73960 9.857586 33.28381 7.945039 -6.544207      12.66079 
1 1 1 -27 23 2  o 24.30231 7.503156 36.98880       19.63476 10.10504       33.14669 51.52138       24.37061 19.43954 8.650879 28.00601 8.299211 -8.566473      11.98810 
1 1 1 -27 23 3  o 24.89404 7.470181 38.80995       19.64892 -5.849447      33.41137 62.42150       24.29406 17.55040 8.141100 31.30719 7.922466 -13.75680      11.35971 
1 1 1 -27 23 4  o 27.88209 7.262997 48.01925       20.01651 -10.42886      33.03703 81.91963       25.16043 16.98191 7.949570 36.74086 7.253759 -19.75895      10.76163 
1 1 1 -27 23 5  o 32.52274 6.602325 62.48365       20.29923 38.71821       33.51115 76.25806       25.51249 24.06832 9.548182 35.00105 7.659937 -10.93274      12.24101 
1 1 1 -27 23 6  f 27.74529 8.159774 50.24771       23.63258 34.87698       32.18933 68.22000       34.80699 23.30866 9.321244 30.23672 10.05749 -6.928059      13.71272 
1 1 1 -27 23 7  o 35.02594 7.225539 74.61437       23.94979 79.85587       32.57776 68.45000       35.32956 33.68829 9.481368 30.17704 10.13448 3.511250       13.87819 
1 1 1 -27 23 8  o 24.71093 8.106334 39.65140       22.63693 40.92122       30.52628 38.10000       33.74156 24.50674 9.276588 23.90572 9.548943 0.6010208      13.31305 
1 1 1 -27 23 9  o 22.50326 7.406554 31.42500       18.89118 27.69989       29.70987 33.95335       24.47651 21.75840 8.863840 22.98852 8.380446 -1.230116      12.19834 
1 1 1 -27 23 10 o 17.22076 7.101255 12.29522       19.36481 -2.826941      29.03307 24.41417       25.99074 16.86616 7.738938 20.77977 8.353196 -3.913614      11.38714 
1 1 1 -27 23 11 o 43.12548 5.771773 105.3653       23.75288 75.20000       38.96608 123.2023       29.96354 30.63008 10.63465 45.34140 6.974519 -14.71132      12.71770 
1 1 1 -27 23 12 o 13.98231 6.460690 -7.553906      20.73837 -26.90000      32.80196 5.328145       26.76676 15.28282 7.365817 17.44450 7.767804 -2.161680      10.70486 
1 1 1 -27 23 13 o 37.37664 6.232072 81.19732       21.99786 34.86577       31.81032 123.6604       30.45336 23.06502 9.251760 45.24467 7.110709 -22.17965      11.66864 
1 1 1 -27 23 14 f 19.09296 7.519075 19.69995       20.64272 15.39062       30.53173 23.32854       28.01661 19.55316 8.514733 20.61325 8.524870 -1.060087      12.04882 
1 1 1 -27 23 15 o 16.69525 7.393575 5.126073       23.91919 -0.8639925E-01 29.19880 15.76000       41.70517 17.08328 7.809413 20.79305 9.438338 -3.709770      12.25027 
1 1 1 -27 23 16 o 29.89955 7.435462 56.86745       21.66969 45.73035       30.96575 67.55554       30.33511 24.99650 9.368821 30.41460 9.314595 -5.418106      13.21123 
1 1 1 -27 23 17 o 17.28741 7.296085 12.10815       21.15232 9.506887       30.66574 14.46907       29.21477 18.47316 8.264014 18.98389 8.296792 -0.5107269     11.71028 
1 1 1 -27 23 18 o 36.28468 6.723619 79.99610       23.00074 61.20451       32.97576 97.80052       32.09793 27.90099 9.776827 37.47991 8.885368 -9.578917      13.21121 
1 1 1 -27 23 19 o 16.95003 7.265014 10.34047       21.54089 9.072735       30.36556 11.62467       30.56222 18.28316 8.197880 18.66535 8.306540 -0.3821812     11.67064 
1 1 1 -27 23 20 o 11.52597 5.629529 -28.26256      20.91042 -48.01558      28.95986 -6.747082      30.22423 12.52612 6.213356 16.26828 7.611655 -3.742159      9.825634 
1 1 1 -27 23 21 o 37.41919 6.610799 84.97862       23.32808 19.24909       32.10279 158.5204       33.95700 19.81599 8.677945 50.65457 7.038538 -30.83858      11.17353 
1 1 1 -27 23 22 o 13.97292 6.468306 -6.452056      20.92935 -1.855750      29.12983 -11.35658      30.09068 16.58384 7.660727 15.74272 7.436688 0.8411198      10.67666 
1 1 1 -27 23 23 o 15.63873 6.942151 3.860556       21.21164 -7.730690      29.33953 16.55370       30.70243 15.95754 7.476958 19.29220 8.466467 -3.334655      11.29540 
1 1 1 -27 23 24 o 20.49890 8.158210 26.64506       24.53980 32.52048       30.12659 15.06000       42.30381 21.79466 8.907916 20.14232 9.278457 1.652340       12.86238 
1 1 1 -27 23 25 o 20.03569 8.385911 23.59481       27.58164 67.02000       56.67727 10.11952       31.57237 25.65831 11.37109 18.38802 8.292256 7.270298       14.07350 
1 1 1 -27 23 26 o 25.72353 8.569461 48.12461       25.26737 33.15332       30.59060 80.27000       44.82472 21.83414 8.956110 28.70005 11.14455 -6.865911      14.29731 
1 1 1 -27 23 27 o 22.74034 7.930922 35.46645       21.68398 10.57835       30.03172 62.57325       31.34177 18.16887 8.149188 28.03790 9.544862 -9.869034      12.55044 
1 1 1 -27 23 28 o 31.01690 8.000216 65.57169       24.44759 34.51000       37.08745 89.44059       32.51103 22.04873 9.492726 34.43510 9.389090 -12.38637      13.35166 
1 1 1 -27 23 29 o 12.47445 6.022558 -21.66998      22.15631 -2.272000      32.35817 -38.79221      30.40086 16.94359 7.910621 13.39137 6.590726 3.552220       10.29639 
1 1 1 -27 23 30 o 12.60796 6.022841 -16.04969      20.86182 -12.17656      28.82050 -20.31276      30.23653 15.14321 7.190029 14.70695 7.084141 0.4362602      10.09364 
1 1 1 -27 23 31 o 15.11336 6.792631 2.349706       20.98421 -31.00883      29.75251 35.36797       29.60037 13.71465 6.702094 21.97974 8.886447 -8.265095      11.13045 
1 1 1 -27 23 32 o 18.60521 7.535888 20.22015       21.33085 7.528966       30.14251 32.95159       30.19029 17.56219 7.992218 21.46644 8.860820 -3.904249      11.93271 
1 1 1 -27 23 33 o 17.49077 7.359363 15.61677       21.41569 21.99246       30.67409 9.553565       29.91296 19.45993 8.503235 17.63869 8.001315 1.821234       11.67587 
1 1 1 -27 23 34 o 17.78109 7.403150 17.58465       21.32902 26.70083       30.33954 8.676680       29.99106 20.00985 8.600001 17.40436 7.940331 2.605490       11.70508 
1 1 1 -27 23 35 o 17.35782 7.334126 16.17635       21.41304 -3.761780      29.96261 36.98958       30.61308 15.82818 7.459911 21.52487 8.907381 -5.696687      11.61859 
1 1 1 -27 23 36 o 12.46480 5.982496 -15.70247      21.11884 -5.633049      29.64952 -26.07221      30.08843 15.49965 7.339756 13.81529 6.748807 1.684366       9.970879 
1 1 1 -27 24 1  o 51.43458 4.677061 142.7210       23.28969 100.2794       36.25842 172.5304       30.38715 37.35186 9.797523 55.40254 5.683943 -18.05068      11.32690 
1 1 1 -27 24 2  o 48.84350 4.862541 129.7360       22.93901 59.56701       35.29078 181.0719       30.18554 27.93606 10.08005 57.02268 5.475311 -29.08662      11.47111 
1 1 1 -27 24 3  o 35.09763 6.441473 72.42514       21.31413 33.53008       34.09951 97.36529       27.30552 22.91697 9.433983 39.96010 7.247832 -17.04313      11.89668 
1 1 1 -27 24 4  o 27.25073 8.350461 49.73900       24.37580 43.37183       33.52568 56.88000       35.50454 24.71558 9.626644 27.30589 10.07041 -2.590309      13.93146 
1 1 1 -27 24 5  o 18.43429 7.731845 14.67884       23.52202 -29.49017      32.48520 63.36000       34.10414 14.99075 7.250823 28.90462 9.953237 -13.91387      12.31427 
1 1 1 -27 24 6  o 15.07651 6.904563 -4.479632      22.96190 -35.02169      31.41581 30.55000       33.64472 14.28554 6.960366 22.33298 9.298138 -8.047449      11.61473 
1 1 1 -27 24 7  o 25.50216 7.654226 41.79569       20.62747 32.20672       32.31089 48.39234       26.79938 22.56079 9.223613 26.40380 8.826068 -3.843012      12.76615 
1 1 1 -27 24 8  o 25.02804 7.499041 39.89225       19.81225 28.84450       30.89343 47.61013       25.82133 21.88144 8.990629 26.33845 8.658681 -4.457012      12.48215 
1 1 1 -27 24 9  o 57.71780 4.628901 179.4938       25.93227 121.7000       43.32848 211.7505       32.37002 39.49894 10.86721 61.69981 5.414691 -22.20087      12.14147 
1 1 1 -27 24 10 o 22.63040 7.914792 32.91149       21.60469 -11.61000      35.58395 58.90544       27.18976 17.18154 8.107486 29.13470 8.797489 -11.95316      11.96358 
1 1 1 -27 24 11 o 21.15650 7.638707 27.81703       20.27034 14.91581       29.76902 38.96966       27.67821 19.29530 8.405001 23.80202 8.870331 -4.506720      12.21994 
1 1 1 -27 24 12 f 15.09439 6.703945 1.883960       19.80631 -37.49411      28.81583 37.14750       27.26886 13.32230 6.528286 23.32880 8.781605 -10.00650      10.94235 
1 1 1 -27 24 13 o 17.84856 7.301287 15.22967       20.26073 32.04524       29.60903 0.4232040      27.78396 22.15551 8.912396 16.77848 7.650095 5.377026       11.74541 
1 1 1 -27 24 14 o 12.13054 5.802170 -17.80117      19.49357 -34.93995      28.17345 -2.060219      27.00011 13.27926 6.496244 16.23439 7.454233 -2.955130      9.887708 
1 1 1 -27 24 15 o 23.55426 8.059887 37.54345       22.35348 6.601000       33.93776 61.25363       29.70799 18.50592 8.444332 28.61497 9.279861 -10.10905      12.54682 
1 1 1 -27 24 16 f 34.50173 6.914977 73.42460       22.53865 52.38483       32.02713 94.06794       31.72397 26.01294 9.569556 36.59230 8.935690 -10.57936      13.09286 
1 1 1 -27 24 17 o 21.05482 8.350160 28.32002       25.62200 6.661066       30.53731 79.83000       47.09315 17.93555 8.115336 28.78272 11.35017 -10.84717      13.95296 
1 1 1 -27 24 18 o 50.51263 5.141450 142.8291       25.06701 89.79357       35.29370 196.8153       35.60862 33.81907 9.978553 57.38393 6.451168 -23.56486      11.88230 
1 1 1 -27 24 19 o 17.34317 7.377666 12.53903       21.91632 17.71657       30.45994 6.981494       31.55792 19.38936 8.472927 18.05286 8.200702 1.336500       11.79161 
1 1 1 -27 24 20 o 26.56651 7.976625 48.13800       22.39867 50.47470       31.32737 45.69415       32.03758 25.50548 9.449911 24.41463 9.437806 1.090851       13.35564 
1 1 1 -27 24 21 o 21.48847 7.921766 30.43470       21.96643 12.56874       30.20801 50.48296       31.99981 18.61959 8.273865 25.41767 9.524528 -6.798075      12.61640 
1 1 1 -27 24 22 o 16.87077 7.226811 10.97176       21.29196 36.01136       29.69775 -15.51312      30.54279 22.44497 8.960813 15.34882 7.319815 7.096144       11.57047 
1 1 1 -27 24 23 o 14.49292 6.774840 -8.193625      23.85405 16.98357       29.56979 -55.11000      40.36517 19.06688 8.339739 14.65946 7.282473 4.407422       11.07184 
1 1 1 -27 24 24 o 18.55369 7.867824 17.31436       24.79149 12.19071       29.40462 29.91000       46.10373 18.30897 8.147840 21.77684 9.900094 -3.467876      12.82182 
1 1 1 -27 24 25 o 22.32092 8.393273 35.05858       24.89596 29.73610       29.80269 47.35000       45.28971 21.13878 8.771834 23.69119 10.34263 -2.552412      13.56153 
1 1 1 -27 24 26 o 14.37616 6.592207 -3.014455      21.02092 -27.23842      28.55606 25.63900       31.05734 13.78989 6.700023 20.46791 8.746951 -6.678015      11.01814 
1 1 1 -27 24 27 o 17.02186 7.432459 10.22778       23.39804 -37.92000      34.34948 51.90806       31.95931 14.36126 7.055688 25.35515 9.514871 -10.99389      11.84548 
1 1 1 -27 24 28 o 26.14062 7.897074 47.47820       21.90526 20.89202       29.96041 78.01329       32.10846 19.52575 8.469333 31.38194 9.577627 -11.85619      12.78517 
1 1 1 -27 24 29 o 14.65340 6.670573 -0.5680321     21.01838 -31.42634      29.19326 32.64322       30.28580 13.53626 6.620016 21.43467 8.863869 -7.898408      11.06313 
1 1 1 -27 24 30 o 15.14221 6.820747 2.162781       21.29151 -19.88591      29.13414 27.43727       31.19263 14.45593 6.960842 20.54841 8.773249 -6.092481      11.19925 
1 1 1 -27 24 31 o 22.28433 7.922271 35.14074       21.71291 31.33496       31.02594 38.79382       30.39711 21.03859 8.855419 22.40508 9.024113 -1.366489      12.64330 
1 1 1 -27 24 32 o 19.85517 7.689895 26.31741       21.29962 -0.7029838     30.07788 53.49768       30.16673 16.37584 7.639342 25.33883 9.293160 -8.962996      12.03006 
1 1 1 -27 24 33 o 14.25360 6.555142 -1.791259      20.99456 -9.163877      30.01783 5.268591       29.37421 15.37478 7.310836 16.82662 7.744025 -1.451845      10.64980 
1 1 1 -27 24 34 o 19.37448 7.675535 25.61961       21.62743 29.87798       30.72944 21.43995       30.44416 20.20567 8.669148 18.90801 8.358942 1.297659       12.04268 
1 1 1 -27 24 35 o 16.92484 7.246834 14.55035       21.39310 27.02257       30.04692 1.727574       30.46626 19.66428 8.505568 16.37439 7.655034 3.289894       11.44309 
1 1 1 -27 25 1  o 43.09857 5.412050 104.0697       22.32916 26.73149       34.47786 159.9434       29.30535 21.62971 9.228977 53.12675 5.725746 -31.49704      10.86086 
1 1 1 -27 25 2  o 14.16526 6.668610 -13.12156      23.82198 -55.09429      32.14960 37.98000       35.47391 13.09347 6.503633 23.49293 9.641397 -10.39946      11.62987 
1 1 1 -27 25 3  o 19.25857 7.905957 19.02115       23.86169 -16.23164      32.08667 62.64000       35.69151 15.96494 7.582015 28.22285 10.14305 -12.25790      12.66367 
1 1 1 -27 25 4  o 31.94650 8.085329 67.10555       25.30075 37.36015       34.06537 103.7000       37.78425 23.33120 9.496288 37.16221 10.11751 -13.83101      13.87600 
1 1 1 -27 25 5  o 21.55840 7.751741 29.38443       20.84909 6.282154       32.72153 45.17371       27.05125 18.50093 8.382919 25.31585 8.856265 -6.814928      12.19454 
1 1 1 -27 25 6  o 12.24051 5.838215 -17.02595      19.44273 -5.128240      30.44843 -25.21695      25.26396 16.70170 7.755769 13.30773 6.426385 3.393970       10.07226 
1 1 1 -27 25 7  o 20.03968 7.797966 23.64021       21.98182 32.65000       37.79982 19.03634       27.02051 22.54300 9.642186 19.55107 8.248591 2.991930       12.68901 
1 1 1 -27 25 8  o 18.50871 7.553554 17.31295       21.62233 -48.95000      35.83492 55.24949       27.11440 14.29111 7.056660 27.86380 8.848961 -13.57270      11.31815 
1 1 1 -27 25 9  o 17.63913 7.427399 13.19462       21.83963 66.59000       37.31922 -14.61626      26.93321 28.43937 10.35099 14.77417 6.995990 13.66520       12.49347 
1 1 1 -27 25 10 o 19.39401 7.520000 21.87481       20.38669 5.625264       30.37092 35.20139       27.50406 17.87385 8.089742 22.69396 8.752068 -4.820107      11.91816 
1 1 1 -27 25 11 o 34.35540 6.737156 72.02917       21.84575 16.79440       31.69896 121.9926       30.14845 19.53588 8.587131 44.33224 7.194046 -24.79635      11.20237 
1 1 1 -27 25 12 o 21.15258 7.709928 28.78868       20.71529 13.12408       30.19070 42.72454       28.47611 18.77578 8.311143 24.19631 9.001159 -5.420530      12.25136 
1 1 1 -27 25 13 o 13.21597 6.182533 -9.832808      19.92683 0.4989768E-01  29.06181 -18.60179      27.37533 16.83432 7.731134 14.40012 6.884502 2.434201       10.35214 
1 1 1 -27 25 14 o 18.12706 7.378546 16.98495       20.56737 17.92924       29.65446 16.10967       28.55026 19.40143 8.420627 18.98470 8.250871 0.4167290      11.78914 
1 1 1 -27 25 15 o 44.39679 5.516069 112.6313       23.45565 50.06334       32.93653 177.0156       33.41117 25.19606 9.612665 54.47611 6.386987 -29.28005      11.54110 
1 1 1 -27 25 16 o 19.57779 7.638528 23.21548       21.13687 15.06236       29.60667 31.69071       30.18585 18.84844 8.291441 21.66646 8.893026 -2.818016      12.15870 
1 1 1 -27 25 17 o 28.25033 8.219501 55.40566       24.09219 77.52000       37.47440 39.82616       31.45390 30.10492 10.43037 23.20824 9.236341 6.896675       13.93207 
1 1 1 -27 25 18 o 24.89151 8.063514 42.74341       22.43408 15.55972       30.30433 75.70509       33.36992 19.04184 8.382100 30.93877 9.815756 -11.89692      12.90770 
1 1 1 -27 25 19 o 22.19474 8.549841 34.04078       26.22648 32.27229       31.11527 38.38000       48.73910 21.80946 8.998293 22.93262 10.32570 -1.123158      13.69632 
1 1 1 -27 25 20 o 25.32886 8.027427 44.58127       22.32339 49.00385       31.28851 39.99586       31.85929 24.95465 9.403786 23.08237 9.258824 1.872280       13.19686 
1 1 1 -27 25 21 o 19.84679 8.068429 23.98988       24.55671 -3.406657      30.23897 77.05000       42.08268 16.47341 7.676498 28.63287 10.87953 -12.15946      13.31513 
1 1 1 -27 25 22 o 38.39571 8.133092 99.43642       29.61425 139.1000       61.18537 87.30198       33.84242 33.61678 13.02968 33.32669 9.754611 0.2900887      16.27652 
1 1 1 -27 25 23 o 19.35249 8.024724 21.74773       24.91671 20.43789       29.43393 25.06000       46.80595 19.49122 8.424519 21.20725 9.765643 -1.716024      12.89730 
1 1 1 -27 25 24 o 17.16266 7.327712 12.51593       21.76060 -5.217080      29.12854 34.91102       32.73436 16.00394 7.482908 22.02360 9.170578 -6.019655      11.83611 
1 1 1 -27 25 25 f 17.36580 7.359805 13.72825       21.67205 -51.74002      29.42130 91.39003       32.04425 12.30159 6.128537 34.99329 9.225791 -22.69171      11.07584 
1 1 1 -27 25 26 o 15.07058 6.885582 -0.8543343     22.65877 -18.63000      32.78741 15.39650       31.34960 15.41936 7.414424 18.86257 8.402430 -3.443213      11.20600 
1 1 1 -27 25 27 o 30.97649 7.627366 64.46571       22.97041 0.6301059      30.82780 144.1466       34.44198 16.84035 7.814581 46.55960 7.835352 -29.71926      11.06618 
1 1 1 -27 25 28 o 17.00972 7.250068 12.89228       21.23768 1.711778       29.32548 25.22362       30.79780 16.68178 7.699004 20.11588 8.655383 -3.434107      11.58405 
1 1 1 -27 25 29 f 16.72223 7.190477 11.46336       21.22866 14.92732       29.28992 7.630136       30.81157 18.41204 8.166299 17.62613 8.044077 0.7859116      11.46279 
1 1 1 -27 25 30 f 19.69364 7.689677 25.58837       21.43433 33.79810       30.02827 17.06001       30.60542 21.34396 8.826205 18.68417 8.313815 2.659788       12.12524 
1 1 1 -27 25 31 o 13.41894 6.273219 -6.998706      20.45809 -40.77284      28.59040 28.43973       29.28636 12.57150 6.224869 20.25138 8.567912 -7.679875      10.59047 
1 1 1 -27 25 32 o 18.71572 7.495119 22.56444       20.84257 29.64868       29.16201 15.16681       29.80004 20.26416 8.560352 18.06072 8.107836 2.203436       11.79053 
1 1 1 -27 25 33 o 20.76300 7.768517 31.48889       21.27138 4.539178       29.59193 60.30188       30.59781 16.52799 7.665048 26.03101 9.386812 -9.503016      12.11880 
1 1 1 -27 25 34 o 19.96014 8.195647 29.54932       25.64917 37.86350       30.49814 9.459000       47.40862 21.30010 8.859125 18.57727 8.928459 2.722828       12.57782 
1 1 1 -27 26 1  o 17.95579 8.042047 8.196382       29.13289 -13.49000      57.86433 15.56000       33.71810 19.76079 9.586263 19.59480 8.722234 0.1659889      12.96047 
1 1 1 -27 26 2  o 28.96036 9.734185 65.54308       32.59328 53.04000       58.54072 71.16000       39.23726 24.71795 11.20497 28.75250 10.58957 -4.034554      15.41721 
1 1 1 -27 26 3  o 22.54426 8.432279 34.60872       25.05752 12.54008       33.07944 64.32000       38.38229 19.10437 8.561984 27.53835 10.40699 -8.433977      13.47639 
1 1 1 -27 26 4  o 24.87521 7.878707 41.68774       21.50687 34.16182       33.12949 47.16961       28.27476 22.34810 9.258816 25.28866 9.035041 -2.940554      12.93668 
1 1 1 -27 26 5  o 28.29879 7.673698 52.80939       21.78693 57.68302       33.54029 49.25190       28.65579 26.89078 9.809062 25.72094 9.105379 1.169838       13.38378 
1 1 1 -27 26 6  o 24.18849 8.119871 40.16233       22.67967 76.20000       39.05576 21.82712       27.85798 29.67944 10.61704 19.89242 8.383090 9.787020       13.52767 
1 1 1 -27 26 7  o 28.85811 8.021456 56.37041       23.47299 38.48000       39.35050 66.25259       29.24600 23.00981 9.839817 29.92193 9.142441 -6.912128      13.43154 
1 1 1 -27 26 8  o 19.62893 7.689516 22.98038       21.49143 8.226183       32.07066 35.00675       28.95460 18.34783 8.307780 22.44851 8.884966 -4.100685      12.16396 
1 1 1 -27 26 9  o 25.99081 7.945323 45.89095       22.08484 6.460019       32.68033 79.03455       29.96179 18.21104 8.300793 33.12518 9.005838 -14.91414      12.24779 
1 1 1 -27 26 10 o 21.39034 7.893878 30.01022       21.82180 -8.236873      32.32341 62.04074       29.58012 16.50234 7.768558 28.64734 9.257398 -12.14500      12.08511 
1 1 1 -27 26 11 o 28.42713 7.742249 53.96189       22.12091 46.05693       33.88888 59.83058       29.19964 24.27924 9.611404 28.09166 9.206223 -3.812420      13.30916 
1 1 1 -27 26 12 o 17.45579 7.362407 13.62175       21.51620 9.847397       32.35209 16.61522       28.81172 18.47711 8.357407 18.98148 8.268521 -0.5043640     11.75647 
1 1 1 -27 26 13 o 14.22622 6.534288 -3.938763      20.77031 10.09276       31.02026 -15.34173      27.96417 18.30485 8.240195 14.77338 7.033777 3.531469       10.83397 
1 1 1 -27 26 14 o 16.77417 7.220883 10.25469       21.45430 16.47789       31.80904 5.061014       29.05902 19.28370 8.533725 17.34336 7.874825 1.940344       11.61195 
1 1 1 -27 26 15 o 13.24644 6.236568 -11.46425      20.84289 -7.876938      30.07179 -14.78084      28.91483 16.03312 7.530568 15.07403 7.169943 0.9590969      10.39796 
1 1 1 -27 26 16 o 41.98588 5.876266 102.9044       23.48925 74.18902       33.28884 131.3793       33.14923 30.49632 9.817581 44.91505 7.824262 -14.41873      12.55404 
1 1 1 -27 26 17 o 12.40857 5.954430 -18.58481      20.89990 -35.02923      29.36796 -1.710244      29.74958 13.42649 6.581655 16.58478 7.689327 -3.158287      10.12146 
1 1 1 -27 26 18 o 14.49181 6.635488 -2.563612      21.19322 11.57920       29.83977 -16.95941      30.10547 18.23857 8.156027 15.05207 7.202529 3.186509       10.88105 
1 1 1 -27 26 19 o 13.54490 6.425117 -13.74339      22.90906 -40.07000      33.80139 8.624526       31.15659 14.11764 6.948442 18.03332 8.174610 -3.915674      10.72870 
1 1 1 -27 26 20 o 22.24038 8.676388 35.48683       27.26840 34.18718       31.95321 38.97000       52.31039 21.89090 9.083270 22.65851 10.39346 -0.7676067     13.80325 
1 1 1 -27 26 21 o 19.81196 8.185530 23.96952       25.79644 15.51735       30.67838 44.37000       47.66158 18.83214 8.354852 23.15026 10.33321 -4.318129      13.28829 
1 1 1 -27 26 22 o 12.90119 6.244672 -23.49724      24.20595 -27.73314      28.31939 -12.01000      46.63573 13.65829 6.644317 18.13193 8.749890 -4.473639      10.98670 
1 1 1 -27 26 23 o 23.63361 8.127478 39.65288       22.73757 -0.3577824     30.87208 87.08687       33.61420 16.82154 7.810774 33.11777 9.729390 -16.29623      12.47675 
1 1 1 -27 26 24 o 17.42302 7.565922 12.41247       23.96589 8.857000       35.72997 15.32038       32.31283 18.52918 8.532385 18.92320 8.472887 -0.3940201     12.02462 
1 1 1 -27 26 25 o 20.85386 8.096998 29.76579       23.65962 24.94000       35.34546 33.68352       31.84688 20.32126 8.994109 21.54965 9.014694 -1.228386      12.73415 
1 1 1 -27 26 26 o 22.81550 8.012345 37.07825       22.15521 49.73194       30.49514 22.93319       32.24220 24.71482 9.290174 19.81616 8.686879 4.898666       12.71885 
1 1 1 -27 26 27 f 12.36254 5.946003 -18.59439      21.11630 -33.82773      28.76468 -0.7900355     31.09747 13.20908 6.482966 16.67394 7.774863 -3.464858      10.12311 
1 1 1 -27 26 28 o 16.75718 7.184109 12.28795       21.07329 0.1389160      28.94116 25.99845       30.74481 16.30609 7.568390 20.05111 8.637930 -3.745026      11.48453 
1 1 1 -27 26 29 o 16.68270 7.191106 12.10227       21.33254 -13.85284      29.70126 39.75837       30.65907 14.92618 7.145444 22.29329 9.032835 -7.367103      11.51736 
1 1 1 -27 26 30 o 16.37584 7.106297 11.14809       21.11260 20.40297       29.17791 0.9774643      30.58739 18.81582 8.255614 16.47354 7.691152 2.342276       11.28313 
1 1 1 -27 26 31 o 12.70876 6.024188 -10.78243      20.06975 -26.37824      28.02164 5.644400       28.75852 13.32240 6.509080 16.59784 7.647307 -3.275432      10.04238 
1 1 1 -27 26 32 o 12.67284 6.020168 -11.08550      20.25598 4.421756       28.21471 -27.57921      29.09828 16.26014 7.521163 13.40975 6.568864 2.850392       9.985884 
1 1 1 -27 27 1  o 17.75167 7.665889 12.79083       24.32917 -43.60232      32.50763 84.60000       36.68276 13.66490 6.742505 31.92209 10.30852 -18.25719      12.31775 
1 1 1 -27 27 2  o 39.91229 7.389302 101.3488       27.80506 24.98000       61.31873 121.1161       31.19673 22.13268 10.50255 43.38169 7.624937 -21.24901      12.97857 
1 1 1 -27 27 3  o 24.42017 8.825353 43.86415       27.06523 -35.07000      63.03883 61.70272       29.96786 18.90574 9.339755 28.33114 9.328746 -9.425400      13.20063 
1 1 1 -27 27 4  o 32.44595 9.223794 78.28959       30.67445 0.000000       0.000000 78.28959       30.67445 ?        ?        32.44595 9.223794 ?              ?        
1 1 1 -27 27 5  o 30.93535 7.962968 64.61437       24.25401 15.72000       39.90218 93.26434       30.54423 19.99097 9.135064 36.51231 8.675352 -16.52133      12.59806 
1 1 1 -27 27 6  o 21.61670 7.988140 31.34056       22.35907 6.377477       33.63126 51.11410       29.93203 18.20648 8.344758 25.69377 9.281615 -7.487288      12.48132 
1 1 1 -27 27 7  o 22.90908 8.038658 36.16695       22.29790 14.00679       33.62123 53.56763       29.79273 19.11413 8.593784 26.26728 9.285604 -7.153151      12.65210 
1 1 1 -27 27 8  f 17.19549 7.342296 12.22852       21.85031 -1.035611      32.69613 22.93299       29.37242 17.20725 8.006289 20.00684 8.526855 -2.799585      11.69649 
1 1 1 -27 27 9  o 16.14915 7.103048 6.655836       21.72111 -1.947222      32.74375 13.41689       29.02747 17.12488 7.982757 18.47418 8.164876 -1.349302      11.41883 
1 1 1 -27 27 10 o 18.72622 7.628371 19.49065       22.00416 8.688017       33.19509 27.95785       29.38861 18.40127 8.379145 20.89315 8.693717 -2.491880      12.07439 
1 1 1 -27 27 11 o 16.83276 7.279230 10.07808       21.99756 8.568714       32.81018 11.31053       29.64810 18.35312 8.346782 18.27181 8.153159 0.8131599E-01  11.66802 
1 1 1 -27 27 12 o 17.07269 7.322577 11.43956       21.91122 -2.106783      32.54567 22.66975       29.63301 17.08934 7.963648 20.01145 8.547744 -2.922102      11.68262 
1 1 1 -27 27 13 o 29.62841 7.771608 58.79899       22.81387 34.12991       33.38872 80.40231       31.24521 22.05644 9.228770 32.71351 9.312315 -10.65707      13.11066 
1 1 1 -27 27 14 o 28.04215 7.901847 53.83698       22.61329 53.21869       32.38429 54.42533       31.59054 25.62413 9.585743 26.01590 9.515029 -0.3917637     13.50638 
1 1 1 -27 27 15 o 14.70961 6.710588 -1.368423      21.41746 24.77882       31.43472 -24.02268      29.25982 20.31304 8.742368 14.21333 6.876403 6.099713       11.12268 
1 1 1 -27 27 16 o 16.90495 7.255250 11.39726       21.53568 18.52826       30.85566 4.624061       30.07158 19.31816 8.482411 17.32784 7.922747 1.990322       11.60695 
1 1 1 -27 27 17 f 11.38425 5.578717 -29.37870      21.04634 -35.39183      30.18236 -23.68776      29.36261 13.55328 6.649641 14.25817 6.895766 -0.7048807     9.579630 
1 1 1 -27 27 18 o 23.66833 8.597963 41.39672       25.73188 46.26225       32.46861 33.18000       42.19371 24.01184 9.437982 21.78221 9.722508 2.229626       13.55001 
1 1 1 -27 27 19 o 18.63947 8.136995 16.46461       28.03089 -39.45000      59.34529 32.52152       31.80202 18.02621 8.933333 21.50977 9.003898 -3.483557      12.68364 
1 1 1 -27 27 20 o 26.71421 8.878158 54.30100       27.12403 30.31329       32.24084 112.4000       50.17603 21.12849 8.966548 32.32562 11.96269 -11.19712      14.95008 
1 1 1 -27 27 21 o 19.79035 8.457477 23.18159       29.03619 25.61000       36.57117 19.04000       47.75962 20.58645 9.128189 20.53497 9.594986 0.5148506E-01  13.24340 
1 1 1 -27 27 22 o 16.45837 7.455737 4.391074       25.86599 -13.84713      30.89158 47.17000       47.31120 15.39967 7.348892 23.27510 10.34786 -7.875428      12.69190 
1 1 1 -27 27 23 o 21.65731 8.454453 33.80377       25.90493 7.690000       37.52662 57.57546       35.80425 18.45529 8.583722 25.49483 9.943194 -7.039541      13.13573 
1 1 1 -27 27 24 o 21.36738 7.973531 31.94119       22.37905 25.03315       30.74547 39.72522       32.63665 20.00443 8.628076 22.47141 9.237752 -2.466976      12.64040 
1 1 1 -27 27 25 o 14.25272 6.573906 -3.422282      21.33365 -4.119555      28.64855 -2.554303      31.96362 15.83163 7.408403 16.59921 7.786095 -0.7675772     10.74745 
1 1 1 -27 27 26 o 19.78600 7.733536 25.87403       21.69742 14.80415       29.24409 39.43003       32.36179 18.25155 8.123727 22.30665 9.187395 -4.055103      12.26390 
1 1 1 -27 27 27 o 29.35235 7.678093 59.71169       22.30813 46.37035       30.30417 75.49374       32.95980 23.62097 9.165839 29.57322 9.785325 -5.952253      13.40765 
1 1 1 -27 27 28 o 17.39786 7.303795 16.37816       21.01925 26.62567       28.87713 4.830924       30.65377 19.80495 8.448159 16.91745 7.830221 2.887501       11.51884 
1 1 1 -27 27 29 o 16.03033 6.994401 10.17151       20.68857 8.622063       28.06095 12.01678       30.62274 16.89630 7.697761 17.64023 8.038534 -0.7439346     11.12985 
1 1 1 -27 27 30 o 18.89444 7.553590 24.26379       21.13156 20.38352       28.79649 28.79142       31.10602 18.46076 8.146800 19.81155 8.611221 -1.350798      11.85426 
1 1 1 -27 27 31 o 14.63943 6.596552 3.764605       19.93449 -3.785144      27.51781 12.10191       28.91749 15.16899 7.149188 17.26699 7.846236 -2.098001      10.61481 
1 1 1 -27 28 1  o 43.07602 7.027496 115.6740       28.61010 70.36704       35.20456 203.8000       49.09851 28.95269 10.10489 52.13830 9.984121 -23.18561      14.20533 
1 1 1 -27 28 2  o 43.36764 6.043308 110.9560       24.95765 48.58000       41.67268 145.8416       31.16490 24.10895 10.21112 48.88333 6.688483 -24.77439      12.20667 
1 1 1 -27 28 3  o 16.43840 7.587671 -1.033780      28.49689 4.611000       39.02092 -7.485000      41.71525 18.70668 8.718204 17.98988 8.572387 0.7167988      12.22673 
1 1 1 -27 28 4  o 63.84814 5.919256 238.0209       36.57201 0.000000       0.000000 238.0209       36.57201 ?        ?        63.84814 5.919256 ?              ?        
1 1 1 -27 28 5  o 31.98202 8.627280 72.74541       27.62430 45.11000       64.97857 78.84196       30.51962 23.47248 11.03881 32.54800 9.182770 -9.075521      14.35892 
1 1 1 -27 28 6  o 19.99930 8.298261 23.96807       26.66830 -55.66000      62.05132 42.00830       29.53514 17.84284 8.890918 23.64874 9.082659 -5.805901      12.70996 
1 1 1 -27 28 7  o 20.45745 7.798671 26.95051       21.66772 34.64432       31.60912 20.13056       29.75997 22.10474 9.089535 19.56323 8.463359 2.541517       12.41967 
1 1 1 -27 28 8  f 12.33470 5.938409 -20.14824      21.18271 -44.32236      30.65012 1.956091       29.30863 13.11593 6.485538 16.93470 7.772309 -3.818770      10.12280 
1 1 1 -27 28 9  o 25.96728 8.104581 47.34883       22.83907 8.188606       32.81188 84.15429       31.81007 18.19768 8.303452 33.29068 9.368820 -15.09300      12.51887 
1 1 1 -27 28 10 o 33.30841 7.479322 72.56361       23.78657 10.75138       34.27831 129.9722       33.03473 18.64863 8.500661 44.29057 7.910257 -25.64193      11.61178 
1 1 1 -27 28 11 o 38.65501 6.653565 92.09393       24.26683 23.55973       34.45637 159.5420       34.18224 20.27239 8.930300 50.24701 7.151661 -29.97462      11.44100 
1 1 1 -27 28 12 o 50.65525 5.278232 146.0178       25.78749 68.31177       35.73588 230.4444       37.24920 28.04652 10.14026 62.10378 6.210864 -34.05727      11.89116 
1 1 1 -27 28 13 o 20.16904 7.825862 26.25940       22.09029 11.96382       31.41001 40.25030       31.07349 18.42546 8.293376 22.98436 9.169394 -4.558893      12.36357 
1 1 1 -27 28 14 o 24.34295 8.127906 42.16915       22.72827 24.59175       32.81919 58.36831       31.50625 20.28018 8.829678 26.73255 9.538884 -6.452377      12.99821 
1 1 1 -27 28 15 o 17.39311 7.391801 13.94841       21.96391 -8.428557      32.20976 33.39680       30.02817 16.18760 7.660954 21.61961 8.871340 -5.432009      11.72139 
1 1 1 -27 28 16 o 12.99127 6.293458 -23.75556      24.71496 -32.80895      31.23569 -8.598000      40.41666 13.94173 6.824511 17.49065 8.362885 -3.548927      10.79406 
1 1 1 -27 28 17 o 13.52617 6.561273 -25.02626      27.09443 -63.60000      59.83132 -15.07527      30.38895 17.03775 8.526361 15.19044 7.259951 1.847313       11.19847 
1 1 1 -27 28 18 o 24.06273 8.796885 44.10366       26.99753 53.58096       32.72520 23.91000       47.76915 25.33575 9.601583 20.90657 9.710444 4.429186       13.65588 
1 1 1 -27 28 19 o 17.77670 7.831597 12.66338       26.50497 6.935142       32.06118 25.03000       47.10798 17.77137 8.146193 20.96239 9.703977 -3.191019      12.66995 
1 1 1 -27 28 20 o 12.40302 5.991910 -21.11189      22.01774 -13.92135      31.15310 -28.28831      31.12248 15.39919 7.357247 14.20000 6.920715 1.199193       10.10076 
1 1 1 -27 28 21 o 22.07151 8.346004 35.55318       24.69379 56.38000       38.18529 20.58283       32.37432 24.84034 10.07494 19.41974 8.600812 5.420599       13.24683 
1 1 1 -27 28 22 o 16.69821 7.384358 9.321509       23.77707 -30.21000      35.45994 41.61516       32.04976 14.89988 7.288842 22.77548 9.232798 -7.875599      11.76315 
1 1 1 -27 28 23 o 19.89064 8.035251 26.04655       24.17926 6.806000       36.18416 41.56940       32.50090 18.11954 8.427979 22.73660 9.267648 -4.617062      12.52678 
1 1 1 -27 28 24 o 22.45023 8.565949 38.24382       26.15587 32.09660       31.06351 53.22000       48.48550 21.01465 8.853935 23.38332 10.43069 -2.368668      13.68179 
1 1 1 -27 28 25 o 12.97049 6.171879 -12.95292      21.46864 -28.95631      28.31820 8.676450       32.92165 13.32059 6.515708 17.72590 8.172477 -4.405312      10.45198 
1 1 1 -27 28 26 o 10.54507 5.227164 -34.86433      20.36576 -33.21378      27.19546 -36.97188      30.73050 12.67855 6.238667 13.27376 6.550655 -0.5952129     9.046107 
1 1 1 -27 28 27 o 22.80451 7.925673 38.79299       21.64540 34.40464       29.26153 44.09598       32.16672 20.97770 8.697246 22.53841 9.207377 -1.560709      12.66562 
1 1 1 -27 28 28 o 26.80532 7.866382 52.95208       21.98377 34.52336       29.95999 74.44867       32.35778 20.77518 8.720647 28.64710 9.698985 -7.871922      13.04301 
1 1 1 -27 28 29 o 13.72732 6.357010 -2.592680      20.24369 -7.352595      27.16276 3.354254       30.36134 14.70381 6.981049 16.37190 7.649932 -1.668090      10.35647 
1 1 1 -27 29 1  o 17.01224 7.744863 4.886945       28.33918 5.300000       39.12378 4.431000       41.10487 18.57864 8.682005 18.72309 8.797253 -0.1444492     12.35997 
1 1 1 -27 29 2  o 17.25783 7.809782 6.804761       28.29283 -26.60000      37.85505 49.08000       42.58559 15.76959 7.673780 23.78481 10.20510 -8.015225      12.76836 
1 1 1 -27 29 3  o 19.05029 8.084959 20.01426       26.21468 0.8658748      32.64360 54.79000       43.99163 17.23793 8.013538 24.47983 10.43432 -7.241905      13.15644 
1 1 1 -27 29 4  f 17.51713 7.379312 14.75486       21.57305 -18.62078      31.46786 44.35095       29.63259 15.12770 7.271477 23.87813 9.115859 -8.750429      11.66076 
1 1 1 -27 29 5  o 24.28119 8.045823 41.68695       22.28078 33.29333       33.23316 48.54025       30.02942 21.63570 9.138988 24.75245 9.236473 -3.116749      12.99360 
1 1 1 -27 29 6  o 28.59968 8.899035 61.66434       27.55873 -10.47000      64.79917 77.59272       30.44978 19.84712 9.738747 31.89278 9.229255 -12.04566      13.41724 
1 1 1 -27 29 7  o 29.11412 8.855083 63.42270       27.47793 37.77000       64.71265 69.06512       30.34981 22.57211 10.73352 29.67888 9.354077 -7.106775      14.23753 
1 1 1 -27 29 8  o 20.20541 7.928446 26.51126       22.87974 -11.76364      33.48759 60.02024       31.33340 16.13932 7.687782 27.15462 9.529116 -11.01530      12.24361 
1 1 1 -27 29 9  o 38.83256 6.517220 92.45695       23.89544 47.23483       33.71528 138.0999       33.87178 24.02302 9.561947 45.59585 7.873959 -21.57284      12.38669 
1 1 1 -27 29 10 o 20.61418 7.842113 28.39051       21.88121 0.8444735      30.53445 57.46833       31.37194 16.84469 7.802974 26.45467 9.509249 -9.609974      12.30090 
1 1 1 -27 29 11 o 41.52904 6.088158 103.2101       24.01356 34.88204       33.23560 177.8405       34.73457 21.80041 9.170078 53.48669 6.787138 -31.68628      11.40858 
1 1 1 -27 29 12 o 18.27162 7.618312 18.08427       22.63404 -7.624850      32.11514 43.45748       31.90465 16.21350 7.666192 23.38077 9.303175 -7.167273      12.05486 
1 1 1 -27 29 13 o 25.34613 8.237773 46.45195       23.40326 35.52299       33.54544 56.81568       32.66646 21.89668 9.211775 26.01346 9.647606 -4.116772      13.33916 
1 1 1 -27 29 14 o 15.49969 7.154547 -1.737324      25.33857 8.553288       33.04125 -16.43000      39.48083 18.07495 8.279526 16.69457 8.054899 1.380377       11.55127 
1 1 1 -27 29 15 o 17.87154 7.878272 13.15361       26.86093 -0.1478000     60.78415 16.38147       29.94326 19.93100 9.704461 18.71811 8.281733 1.212887       12.75789 
1 1 1 -27 29 16 o 27.11606 8.218400 52.89624       23.69713 45.72525       34.26043 59.47374       32.81208 23.55006 9.546235 26.48699 9.695662 -2.936924      13.60649 
1 1 1 -27 29 17 o 17.91603 7.876674 13.79931       26.68284 19.94841       32.56242 1.231000       46.55315 19.41903 8.611812 18.83739 8.998214 0.5816383      12.45517 
1 1 1 -27 29 18 o 12.06986 5.872061 -24.56533      22.13083 -34.71673      30.27741 -12.92015      32.42866 13.47570 6.621347 15.65700 7.487472 -2.181300      9.995222 
1 1 1 -27 29 19 o 14.85971 6.796561 -0.3235807     22.15483 -1.588254      31.19884 0.9628623      31.46621 16.50823 7.726995 16.82596 7.837412 -0.3177299     11.00597 
1 1 1 -27 29 20 o 20.92452 8.179230 30.96452       24.27207 33.26000       36.72298 29.18381       32.34423 21.23900 9.291752 20.58218 8.863171 0.6568184      12.84105 
1 1 1 -27 29 21 o 20.75011 7.951062 29.93538       22.59868 46.70822       31.64942 12.48903       32.27860 23.71114 9.318652 18.26294 8.295218 5.448200       12.47589 
1 1 1 -27 29 22 o 28.09399 8.003664 56.63120       23.07146 19.38580       31.67897 98.69969       33.66769 18.98845 8.453227 35.12036 9.545845 -16.13191      12.75069 
1 1 1 -27 29 23 o 18.80173 7.645380 22.46694       22.05521 17.95405       30.34368 27.52147       32.11303 18.57468 8.270835 20.05960 8.733898 -1.484924      12.02862 
1 1 1 -27 29 24 o 18.01262 7.534019 19.09563       22.23959 -3.972313      30.38998 45.69394       32.63271 15.86569 7.488359 22.91647 9.306685 -7.050784      11.94529 
1 1 1 -27 29 25 o 14.31743 6.622746 -1.931725      21.87899 -10.02103      30.17407 7.036344       31.77078 15.14734 7.237957 17.13162 7.944031 -1.984275      10.74689 
1 1 1 -27 29 26 o 17.54337 7.653430 16.65792       24.76295 18.08757       29.67575 13.38000       44.93510 18.16211 8.126855 18.70725 8.909406 -0.5451412     12.05916 
1 1 1 -27 29 27 o 11.75955 5.720559 -21.30298      20.99022 -27.19332      28.21571 -14.00354      31.40983 13.16302 6.452241 14.84753 7.168876 -1.684516      9.644905 
1 1 1 -27 29 28 o 20.55350 8.226136 33.64245       25.09093 -4.063178      29.59570 130.0000       47.31169 15.33745 7.283362 32.82747 11.69182 -17.49002      13.77483 
1 1 1 -27 30 1  o 23.81076 8.056400 40.48354       22.32569 -1.337855      34.62389 70.24647       29.20885 17.22573 8.087478 30.19810 9.118222 -12.97237      12.18808 
1 1 1 -27 30 2  o 18.37957 7.608336 18.85837       22.34527 -12.21257      33.61532 43.45739       29.91018 16.03983 7.657593 23.51326 9.111004 -7.473423      11.90164 
1 1 1 -27 30 3  o 24.58408 8.847773 46.58431       27.16884 32.35557       34.05910 71.48000       45.05178 21.35104 9.142968 26.54638 10.87663 -5.195339      14.20897 
1 1 1 -27 30 4  o 19.33237 8.199694 21.84811       26.93627 19.69951       34.36773 25.27000       43.37174 19.57384 8.753073 20.76526 9.502126 -1.191420      12.91924 
1 1 1 -27 30 5  o 29.04370 8.923063 64.24772       27.81071 40.24598       35.10472 104.7000       45.57384 22.58046 9.456523 32.13125 11.47168 -9.550787      14.86692 
1 1 1 -27 30 6  o 35.22866 7.116507 79.67527       23.69396 2.194561       34.47641 149.0257       32.61745 17.55063 8.184557 48.44703 7.087921 -30.89639      10.82708 
1 1 1 -27 30 7  o 21.55930 8.589419 33.36809       27.23100 6.889791       34.30682 78.46000       44.76976 18.02720 8.322554 27.67319 11.01735 -9.645996      13.80749 
1 1 1 -27 30 8  o 61.64011 5.564236 220.3809       33.21075 107.2000       69.77885 253.5271       37.76196 27.29437 12.31643 65.38493 5.965903 -38.09057      13.68527 
1 1 1 -27 30 9  o 19.07990 8.210476 20.18856       27.71852 -2.783000      63.71646 25.55073       30.78412 19.94221 9.758655 20.15535 8.662663 -0.2131367     13.04887 
1 1 1 -27 30 10 o 39.93412 6.454786 97.90308       24.37056 24.47508       34.67289 169.5976       34.26116 20.18000 8.920969 51.92731 6.912138 -31.74731      11.28545 
1 1 1 -27 30 11 o 23.01074 8.111096 38.07771       22.71989 -17.61635      32.61378 90.59041       31.66861 15.34832 7.383984 34.52791 9.203474 -19.17959      11.79946 
1 1 1 -27 30 12 o 19.75499 8.214590 24.64821       26.21322 18.67036       32.61768 35.55000       44.04832 19.23575 8.569546 21.80154 9.816344 -2.565792      13.03065 
1 1 1 -27 30 13 o 17.83884 7.950488 12.27820       28.10519 24.39000       62.36065 9.190987       31.48400 21.30441 10.23939 17.86570 8.144945 3.438711       13.08378 
1 1 1 -27 30 14 o 17.35473 7.412056 14.32402       22.27701 -22.03984      31.54220 50.51431       31.46682 14.70840 7.121590 24.59232 9.392475 -9.883927      11.78710 
1 1 1 -27 30 15 o 27.57904 8.853169 59.13691       27.08331 55.94944       33.06102 65.64000       47.22297 25.35910 9.641335 24.99825 10.73640 0.3608513      14.43003 
1 1 1 -27 30 16 o 28.82938 8.804205 63.84351       27.12647 49.95875       32.79898 93.90000       48.25700 24.15957 9.488944 28.81784 11.44968 -4.658262      14.87062 
1 1 1 -27 30 17 o 16.86250 7.296297 12.21910       22.12630 18.07347       30.62220 5.823549       32.00629 18.78487 8.339806 17.38515 8.030591 1.399723       11.57768 
1 1 1 -27 30 18 o 11.17857 5.543452 -38.63158      22.99344 -29.91000      33.96584 -46.00956      31.24016 14.56435 7.126591 12.93094 6.420876 1.633410       9.592495 
1 1 1 -27 30 19 o 50.12336 5.896814 150.4224       28.37816 171.2000       44.68723 136.3805       36.73645 45.92500 10.20577 42.83286 9.046324 3.092140       13.63795 
1 1 1 -27 30 20 o 11.43218 5.614583 -29.23248      21.68786 -15.68942      29.84802 -44.38001      31.56661 14.71429 7.075104 13.01728 6.462142 1.697007       9.582087 
1 1 1 -27 30 21 f 20.44535 7.884198 29.84039       22.31843 27.38527       30.66433 32.60600       32.54567 19.90406 8.600866 20.73446 8.909249 -0.8304024     12.38344 
1 1 1 -27 30 22 o 17.54192 7.442830 17.12410       22.20596 8.587694       30.48431 26.77438       32.41222 17.18997 7.903127 19.72639 8.676607 -2.536423      11.73639 
1 1 1 -27 30 23 o 15.36497 6.897552 5.896484       21.56648 0.6241308      29.47829 11.96855       31.63502 16.03847 7.508341 17.60877 8.079164 -1.570309      11.02942 
1 1 1 -27 30 24 o 20.05655 7.843377 29.70058       22.32773 39.53556       30.41935 18.21298       32.87591 21.49952 8.886345 18.32584 8.342457 3.173679       12.18867 
1 1 1 -27 30 25 o 15.87065 7.047653 9.545602       21.88108 24.85554       29.60828 -8.877888      32.47973 18.96399 8.318580 15.41979 7.405542 3.544201       11.13736 
1 1 1 -27 30 26 o 15.94946 7.252979 7.856280       24.76752 -6.257837      29.61219 40.72000       45.18581 15.09654 7.201707 20.64107 9.537141 -5.544531      11.95080 
1 1 1 -27 31 1  o 18.75844 7.608673 21.12374       21.78010 -6.300161      33.41985 41.37103       28.71595 16.48074 7.800825 23.06997 8.930528 -6.589235      11.85779 
1 1 1 -27 31 2  o 19.85485 7.754285 25.82917       21.79982 13.92018       32.76170 35.29175       29.20342 18.59860 8.411466 21.79256 8.820928 -3.193964      12.18858 
1 1 1 -27 31 3  o 24.73387 8.154984 44.42392       22.89837 34.78212       34.43732 52.06536       30.65760 21.60802 9.221747 25.13893 9.341920 -3.530907      13.12677 
1 1 1 -27 31 4  o 19.84774 8.235147 25.30908       26.26316 23.98279       32.97483 27.61000       43.43243 19.95814 8.765965 20.87760 9.536560 -0.9194679     12.95331 
1 1 1 -27 31 5  o 18.74553 8.105611 18.81631       27.27039 38.50104       35.40141 -9.911000      42.76646 22.15635 9.398972 17.53388 8.440566 4.622467       12.63265 
1 1 1 -27 31 6  o 21.23188 8.529688 32.30193       27.08292 39.01896       34.93184 22.18000       42.88098 22.23985 9.380627 20.28033 9.341854 1.959515       13.23882 
1 1 1 -27 31 7  o 23.18214 8.160984 39.13332       22.99474 31.31661       33.68361 45.95565       31.46825 21.02938 9.050165 23.68600 9.297003 -2.656628      12.97458 
1 1 1 -27 31 8  o 22.67886 8.038101 37.03042       22.33745 33.53629       32.17824 40.28021       31.03273 21.34916 9.004038 22.58716 9.110721 -1.238003      12.80929 
1 1 1 -27 31 9  o 17.14255 7.708309 9.100464       27.05908 44.18000       60.57372 0.3550824      30.24452 22.37493 10.56412 16.54699 7.699484 5.827938       13.07221 
1 1 1 -27 31 10 o 14.97926 7.308149 -26.78670      34.96232 -48.56000      61.20370 -16.24000      42.59648 17.44295 8.713184 16.93788 8.218716 0.5050640      11.97777 
1 1 1 -27 31 11 o 18.91530 8.231949 20.16330       28.50076 47.57000       62.67965 13.01982       32.00024 22.46758 10.64890 18.23398 8.273101 4.233603       13.48493 
1 1 1 -27 31 12 o 20.56839 7.970540 29.55713       22.89220 -1.109707      32.46101 59.89908       32.28860 16.68258 7.831943 26.23787 9.615820 -9.555290      12.40175 
1 1 1 -27 31 13 o 18.21189 7.678055 18.70918       23.38470 -19.06901      31.47644 65.24615       34.93526 14.84470 7.169714 26.73495 9.965147 -11.89025      12.27636 
1 1 1 -27 31 14 o 17.26840 7.643879 11.87579       25.53741 -24.34851      30.07470 105.5000       48.34987 14.12409 6.865489 30.51909 11.64591 -16.39500      13.51896 
1 1 1 -27 31 15 o 20.50189 8.002576 29.41262       23.20784 -8.590203      30.89747 78.60984       35.15485 15.65917 7.437774 29.57346 10.10794 -13.91430      12.54954 
1 1 1 -27 31 16 o 17.91517 7.513990 18.08571       22.21463 3.880316       30.57875 33.96136       32.32651 16.85167 7.807049 21.11371 8.970078 -4.262043      11.89169 
1 1 1 -27 31 17 o 30.46445 8.217920 67.93136       25.06496 39.52000       37.31187 91.29691       33.83678 21.68616 9.428554 32.76579 9.796121 -11.07963      13.59638 
1 1 1 -27 31 18 o 13.88281 6.480508 -5.278899      21.70114 -26.14515      29.31146 20.03329       32.28345 13.67559 6.676343 18.86893 8.457260 -5.193339      10.77492 
1 1 1 -27 31 19 o 14.28129 6.598836 -1.857344      21.63470 2.837524       29.29196 -7.492509      32.09150 16.33740 7.593580 15.73058 7.502216 0.6068230      10.67453 
1 1 1 -27 31 20 f 13.58220 6.371776 -6.370887      21.41831 16.02191       29.16500 -32.58619      31.55624 17.89869 8.029156 13.60746 6.700525 4.291224       10.45774 
1 1 1 -27 31 21 o 12.87523 6.124924 -11.14575      21.11491 -9.608604      28.35704 -13.05855      31.63279 14.71626 7.027770 15.01064 7.234314 -0.2943859     10.08587 
1 1 1 -27 31 22 o 15.19300 6.857112 5.669690       21.64141 -21.42936      29.13893 39.00555       32.31859 13.76936 6.707649 21.11269 8.969286 -7.343328      11.20003 
1 1 1 -27 31 23 o 15.61338 6.979596 8.215322       21.83168 3.604289       29.53589 13.76867       32.41370 16.15632 7.547896 17.61752 8.117710 -1.461201      11.08458 
1 1 1 -27 31 24 o 27.65852 9.618830 73.15381       31.88398 73.15381       31.88398 0.000000       0.000000 27.65852 9.618830 ?        ?        ?              ?        
1 1 1 -27 32 1  o 20.14397 7.858962 27.85085       22.37335 48.64000       63.24018 24.87655       23.92034 22.43855 10.65295 19.48133 7.946958 2.957230       13.29058 
1 1 1 -27 32 2  o 18.26363 7.971148 17.25221       26.88698 27.71000       63.11377 14.93349       29.71859 21.11675 10.18747 18.19947 8.138928 2.917288       13.03943 
1 1 1 -27 32 3  o 17.58562 7.441023 16.25791       22.09384 -1.513185      32.24679 31.98106       30.33187 16.57814 7.790202 20.88613 8.771377 -4.307997      11.73134 
1 1 1 -27 32 4  o 20.96319 8.084620 31.48301       23.46907 9.633853       35.47228 48.49320       31.29871 18.15688 8.410627 23.92788 9.306623 -5.770994      12.54400 
1 1 1 -27 32 5  o 25.01171 8.285976 46.94698       23.63110 64.41599       35.20533 32.62188       31.88035 26.44508 9.972933 20.97263 8.908968 5.472452       13.37270 
1 1 1 -27 32 6  o 17.02984 7.651227 9.531302       26.59757 -4.451728      33.16377 34.74000       44.52855 16.41957 7.771577 21.28586 9.697323 -4.866291      12.42721 
1 1 1 -27 32 7  o 22.30677 8.648012 38.59498       26.95815 37.34868       33.10099 41.05000       46.45760 21.69788 9.140626 21.92122 9.954836 -0.2233448     13.51480 
1 1 1 -27 32 8  o 15.42556 7.172810 -2.008731      26.17896 -29.29659      31.74736 55.97000       46.27615 14.08899 6.893131 23.59927 10.37423 -9.510278      12.45551 
1 1 1 -27 32 9  o 23.87551 9.951304 53.19770       38.59929 -53.89000      62.83489 118.1000       48.91714 17.29522 8.667178 32.37180 11.84018 -15.07658      14.67344 
1 1 1 -27 32 10 o 29.91381 8.186850 64.81873       24.66475 44.36917       35.11087 84.74191       34.65603 22.75023 9.487310 31.10987 10.01735 -8.359642      13.79697 
1 1 1 -27 32 11 o 17.48351 7.932593 10.28530       29.42022 7.696000       61.22690 11.06262       33.54687 19.82921 9.673660 18.05747 8.297802 1.771740       12.74493 
1 1 1 -27 32 12 o 14.66119 7.220897 -34.42995      36.71154 -42.46000      59.94221 -29.61000      46.44031 17.31959 8.647152 16.43268 8.098797 0.8869057      11.84752 
1 1 1 -27 32 13 o 18.77888 8.698009 15.71078       37.92568 19.79000       60.56926 13.08000       48.64141 20.21177 9.805676 19.25506 9.197751 0.9567032      13.44433 
1 1 1 -27 32 14 o 24.44356 8.282420 46.01369       23.59641 -15.14753      31.97459 119.1562       34.96648 15.08172 7.269755 38.98923 9.294120 -23.90751      11.79958 
1 1 1 -27 32 15 o 14.77695 6.897341 -3.144500      24.57459 -53.97000      35.30465 44.62775       34.22780 13.19871 6.596818 22.40902 9.357807 -9.210307      11.44930 
1 1 1 -27 32 16 o 18.39663 7.789604 21.24534       24.24032 -6.450000      34.87151 47.14102       33.71949 16.18288 7.745808 22.75004 9.374906 -6.567156      12.16086 
1 1 1 -27 32 17 o 20.03766 7.862353 29.38192       22.49921 -7.686403      30.19696 75.64079       33.73333 15.26834 7.280549 28.33273 9.891288 -13.06440      12.28185 
1 1 1 -27 32 18 o 17.22858 7.358223 16.75362       21.95482 10.08263       29.65376 24.84641       32.66129 17.02192 7.814406 19.13029 8.545386 -2.108372      11.57966 
1 1 1 -27 32 19 o 12.53356 6.011450 -13.95642      21.24344 -15.28278      28.51193 -12.30131      31.84999 14.13119 6.824766 14.99854 7.236123 -0.8673515     9.946803 
1 1 1 -27 32 20 o 19.24076 7.713596 27.03062       22.09974 27.75756       29.96969 26.16422       32.71840 19.28241 8.415755 19.08864 8.537967 0.1937656      11.98840 
1 1 1 -27 32 21 o 17.42818 7.593872 17.92012       24.31534 -10.00146      29.13099 82.06000       44.15188 14.63437 7.024435 25.61713 10.65736 -10.98276      12.76409 
1 1 1 -27 33 1  o 33.50702 7.632823 77.14630       24.47276 34.72000       63.35372 84.58743       26.53223 21.22470 10.23137 34.63838 7.988512 -13.41368      12.98065 
1 1 1 -27 33 2  o 18.56733 8.132937 19.46997       28.21105 -73.44000      60.05617 45.77619       31.95624 16.18487 8.158603 23.06036 9.264993 -6.875490      12.34516 
1 1 1 -27 33 3  o 38.24371 6.936788 94.76579       25.01118 8.292000       62.03076 111.5536       27.33136 19.70428 9.639363 41.48178 6.978781 -21.77751      11.90045 
1 1 1 -27 33 4  o 27.27758 8.343436 56.36841       24.34901 74.31000       62.78307 53.19205       26.41658 23.85456 11.09757 25.72625 8.762778 -1.871696      14.14010 
1 1 1 -27 33 5  o 21.17507 8.134090 33.37598       23.69111 28.50000       60.98309 34.24268       25.71056 20.71887 10.00011 21.22124 8.380852 -0.5023670     13.04764 
1 1 1 -27 33 6  o 13.66779 6.582718 -17.16962      26.08720 -9.386423      31.58050 -33.89000      46.28744 15.51831 7.412346 16.08629 7.957173 -0.5679798     10.87472 
1 1 1 -27 33 7  o 31.50500 10.90951 101.1059       40.99402 17.78000       63.99268 159.1000       53.38662 20.11063 9.827993 36.83380 12.45821 -16.72317      15.86810 
1 1 1 -27 33 8  o 41.06778 7.878463 117.4298       30.51840 58.30446       36.25830 261.1000       56.52027 24.52348 9.863342 54.57660 10.96115 -30.05312      14.74559 
1 1 1 -27 33 9  o 15.68872 7.274825 1.117479       26.64173 -4.447940      31.55912 14.92000       49.69986 15.91729 7.547766 19.28590 9.235368 -3.368609      11.92731 
1 1 1 -27 33 10 o 14.91466 7.194611 -15.17968      31.45806 -15.17968      31.45806 0.000000       0.000000 14.91466 7.194611 ?        ?        ?              ?        
1 1 1 -27 33 11 o 20.32116 8.344177 31.19437       26.58849 30.28020       31.19905 33.62000       50.82074 20.08775 8.677872 20.58542 9.706149 -0.4976730     13.01978 
1 1 1 -27 33 12 o 12.77395 6.138476 -15.55239      22.39167 -1.958232      29.95483 -32.76846      33.70992 15.79706 7.449438 13.99491 6.897866 1.802147       10.15257 
1 1 1 -27 33 13 o 20.52072 8.974367 34.52207       34.23069 0.000000       0.000000 34.52207       34.23069 ?        ?        20.52072 8.974367 ?              ?        
1 1 1 -27 33 14 o 16.47956 7.801184 1.078033       33.44155 0.000000       0.000000 1.078033       33.44155 ?        ?        16.47956 7.801184 ?              ?        
1 1 1 -27 33 15 o 16.75260 7.730138 8.844000       29.54174 7.948000       58.43404 9.151634       34.23965 18.74864 9.209488 17.27732 8.089510 1.471319       12.25785 
1 1 1 -27 33 16 o 17.44973 7.467632 18.53170       22.69466 -14.79844      30.58625 59.35875       33.85180 14.50077 7.019093 24.25833 9.605188 -9.757557      11.89653 
1 1 1 -27 33 17 o 15.08496 6.876074 4.626566       22.42672 1.752729       29.89909 8.323308       33.91068 15.91150 7.484549 17.05146 8.005054 -1.139959      10.95899 
1 1 1 -27 33 18 o 18.94308 7.964951 26.54088       25.05805 31.04255       30.50965 17.21000       43.92495 19.62613 8.529472 18.42104 8.783048 1.205091       12.24311 
1 1 1 -27 34 1  o 60.20536 4.836611 207.4686       28.26286 86.29000       64.70617 236.0380       31.41837 23.82389 11.14366 63.77086 5.075165 -39.94697      12.24494 
1 1 1 -27 34 2  o 16.30491 7.266346 10.21683       23.47224 -73.65000      59.86609 25.45128       25.51521 15.83146 8.000406 19.11748 8.037720 -3.286013      11.34070 
1 1 1 -27 34 3  o 30.10897 8.099836 67.46252       24.39017 98.47000       62.81966 61.95868       26.46643 24.96740 11.42906 27.58331 8.740499 -2.615910      14.38818 
1 1 1 -27 34 4  o 18.19331 8.036712 19.45555       28.08953 -3.267000      60.27161 25.76034       31.74824 18.52508 9.148131 19.27717 8.528454 -0.7520828     12.50691 
1 1 1 -27 34 5  o 21.10101 8.207762 34.90293       24.34545 75.46000       61.25244 27.29388       26.53111 23.18741 10.84472 19.42447 8.183178 3.762934       13.58574 
1 1 1 -27 34 6  o 30.27850 8.227612 69.37151       25.01500 84.16000       62.77475 66.57993       27.27401 23.64828 11.03340 28.42373 8.854309 -4.775448      14.14690 
1 1 1 -27 34 7  f 16.12533 7.252796 9.099590       23.97306 20.55000       59.60154 6.889569       26.18456 19.55593 9.541231 16.13255 7.382554 3.423378       12.06388 
1 1 1 -27 34 8  o 16.57240 7.548256 9.612924       26.95957 -63.21000      59.31490 28.57413       30.26654 15.97530 8.059798 19.52652 8.490705 -3.551220      11.70694 
1 1 1 -27 34 9  o 22.18586 8.645948 42.10553       27.05439 15.80000       59.22000 49.04376       30.41371 19.16812 9.385769 23.08480 9.115719 -3.916679      13.08392 
1 1 1 -27 34 10 f 22.03726 9.579895 49.57621       38.50834 78.14000       58.91440 28.27000       50.88228 23.11088 10.75113 19.63054 9.385316 3.480341       14.27134 
1 1 1 -27 34 11 o 15.05373 7.033827 0.6894090E-01  25.66518 20.12858       30.54434 -48.11000      47.33668 18.13782 8.169847 15.07258 7.548917 3.065238       11.12351 
1 1 1 -27 34 12 o 14.26933 6.827083 -9.282426      27.02932 -21.71000      32.89256 16.56000       47.43197 14.32810 7.011436 18.53143 8.912659 -4.203323      11.34001 
1 1 1 -27 34 13 o 10.90639 5.413714 -34.90118      22.13405 -23.87332      29.08655 -50.07263      34.11617 13.45926 6.587753 12.87988 6.444536 0.5793791      9.215776 
1 1 1 -27 34 14 o 12.56191 6.053449 -15.07101      22.13329 -44.89089      29.47679 23.47327       33.51254 12.15357 6.067279 18.56949 8.441452 -6.415924      10.39567 
1 1 1 -27 35 1  o 17.20972 7.766296 15.37824       27.75002 -72.55000      60.08845 39.21523       31.28617 15.51243 7.859057 20.85134 8.840184 -5.338909      11.82851 
1 1 1 -27 35 2  o 20.68511 9.283600 41.45736       39.04206 -5.978000      60.53578 75.24000       51.08670 17.88832 8.891835 23.30834 10.52619 -5.420023      13.77916 
1 1 1 -27 35 3  o 16.96984 7.415112 16.21262       23.32558 1.956000       58.72695 18.88297       25.41639 18.14992 8.975209 17.56725 7.706536 0.5826626      11.82984 
1 1 1 -27 35 4  o 15.60649 7.092034 7.375589       23.62896 -30.88000      58.73975 14.76111       25.80924 16.78325 8.406188 16.95423 7.583200 -0.1709728     11.32117 
1 1 1 -27 35 5  o 21.45589 8.290268 38.48613       24.71205 -8.042000      58.75589 48.48555       27.23837 17.71309 8.797202 23.28032 8.773795 -5.567223      12.42458 
1 1 1 -27 35 6  f 29.14820 9.107162 74.06255       28.83106 38.82000       60.47010 84.43085       32.79903 20.07982 9.754640 29.85443 9.755551 -9.774607      13.79579 
1 1 1 -27 35 7  o 13.83179 6.654037 -12.55599      26.47620 -3.241000      56.71889 -15.15122      29.93811 17.82973 8.817521 14.28082 6.920174 3.548901       11.20881 
1 1 1 -27 35 8  o 18.14754 7.712339 22.88150       23.90964 49.74000       56.92642 17.12859       26.34614 20.66391 9.892236 17.29337 7.703142 3.370537       12.53773 
1 1 1 -27 35 9  o 19.78182 8.795160 34.51736       34.18199 -8.498000      59.44131 55.77000       41.78140 17.52830 8.728979 21.93792 9.740504 -4.409620      13.07947 
1 1 1 -26 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  2  o 16.19749 8.409516 19.61187       17.27581 19.61187       17.27581 19.61187       17.27581 16.19749 8.409516 16.19749 8.409516 -0.000000      0.000000 
1 1 1 -26 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  4  o 37.43154 6.061014 75.04789       20.46112 75.04789       20.46112 75.04789       20.46112 37.43154 6.061014 37.43154 6.061014 -0.000000      0.000000 
1 1 1 -26 0  5  o 70.54786 4.275772 248.9480       29.27504 248.9480       29.27504 248.9480       29.27504 70.54786 4.275772 70.54786 4.275772 -0.000000      0.000000 
1 1 1 -26 0  6  o 15.79238 8.429131 18.45714       17.73610 18.45714       17.73610 18.45714       17.73610 15.79238 8.429131 15.79238 8.429131 -0.000000      0.000000 
1 1 1 -26 0  7  f 54.79061 4.705000 152.1156       24.78785 152.1156       24.78785 152.1156       24.78785 54.79061 4.705000 54.79061 4.705000 0.000000       0.000000 
1 1 1 -26 0  8  o 87.29148 4.407308 380.3400       37.43736 380.3400       37.43736 380.3400       37.43736 87.29148 4.407308 87.29148 4.407308 -0.000000      0.000000 
1 1 1 -26 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -26 0  10 o 27.84208 9.262535 50.40000       22.47010 50.40000       22.47010 50.40000       22.47010 27.84208 9.262535 27.84208 9.262535 -0.000000      0.000000 
1 1 1 -26 0  11 o 18.69433 9.248640 26.59000       20.33842 26.59000       20.33842 26.59000       20.33842 18.69433 9.248640 18.69433 9.248640 -0.000000      0.000000 
1 1 1 -26 0  12 f 39.30579 7.377861 85.45000       25.46132 85.45000       25.46132 85.45000       25.46132 39.30579 7.377861 39.30579 7.377861 0.000000       0.000000 
1 1 1 -26 0  13 o 5.431661 4.016867 -55.92000      16.81434 -55.92000      16.81434 -55.92000      16.81434 5.431661 4.016867 5.431661 4.016867 -0.000000      0.000000 
1 1 1 -26 0  14 o 13.01053 8.076692 7.007000       20.58863 7.007000       20.58863 7.007000       20.58863 13.01053 8.076692 13.01053 8.076692 -0.000000      0.000000 
1 1 1 -26 0  15 o 67.72495 5.622785 234.3000       36.66198 234.3000       36.66198 234.3000       36.66198 67.72495 5.622785 67.72495 5.622785 -0.000000      0.000000 
1 1 1 -26 0  16 o 52.05499 5.176626 139.1553       25.73348 139.1553       25.73348 139.1553       25.73348 52.05499 5.176626 52.05499 5.176626 -0.000000      0.000000 
1 1 1 -26 0  17 o 24.76511 9.111790 41.81677       20.42219 41.81677       20.42219 41.81677       20.42219 24.76511 9.111790 24.76511 9.111790 -0.000000      0.000000 
1 1 1 -26 0  18 o 10.96017 7.169774 -1.171964      19.00578 -1.171964      19.00578 -1.171964      19.00578 10.96017 7.169774 10.96017 7.169774 -0.000000      0.000000 
1 1 1 -26 0  19 o 9.317703 6.425386 -13.41154      19.53713 -13.41154      19.53713 -13.41154      19.53713 9.317703 6.425386 9.317703 6.425386 -0.000000      0.000000 
1 1 1 -26 0  20 o 19.02447 9.558626 28.20683       21.88363 28.20683       21.88363 28.20683       21.88363 19.02447 9.558626 19.02447 9.558626 0.000000       0.000000 
1 1 1 -26 0  21 o 15.54836 8.937032 17.03629       21.72060 17.03629       21.72060 17.03629       21.72060 15.54836 8.937032 15.54836 8.937032 -0.000000      0.000000 
1 1 1 -26 0  22 o 19.47699 9.762159 29.87344       22.79740 29.87344       22.79740 29.87344       22.79740 19.47699 9.762159 19.47699 9.762159 0.000000       0.000000 
1 1 1 -26 0  23 o 51.12777 6.237536 138.3682       29.97686 138.3682       29.97686 138.3682       29.97686 51.12777 6.237536 51.12777 6.237536 -0.000000      0.000000 
1 1 1 -26 0  24 o 27.00322 14.22627 65.80000       49.97854 65.80000       49.97854 65.80000       49.97854 27.00322 14.22627 27.00322 14.22627 0.000000       0.000000 
1 1 1 -26 0  25 o 24.09121 10.39468 44.42144       25.20295 44.42144       25.20295 44.42144       25.20295 24.09121 10.39468 24.09121 10.39468 0.000000       0.000000 
1 1 1 -26 0  26 o 39.31476 8.025383 89.33108       27.31454 89.33108       27.31454 89.33108       27.31454 39.31476 8.025383 39.31476 8.025383 0.000000       0.000000 
1 1 1 -26 0  27 o 33.77413 9.615714 73.13879       27.53864 73.13879       27.53864 73.13879       27.53864 33.77413 9.615714 33.77413 9.615714 0.000000       0.000000 
1 1 1 -26 0  28 o 73.33264 5.219120 277.0978       37.01853 277.0978       37.01853 277.0978       37.01853 73.33264 5.219120 73.33264 5.219120 -0.000000      0.000000 
1 1 1 -26 0  29 o 48.62389 7.005330 130.1663       31.33294 130.1663       31.33294 130.1663       31.33294 48.62389 7.005330 48.62389 7.005330 -0.000000      0.000000 
1 1 1 -26 0  30 o 21.63194 10.79468 39.80317       27.81522 39.80317       27.81522 39.80317       27.81522 21.63194 10.79468 21.63194 10.79468 0.000000       0.000000 
1 1 1 -26 0  31 o 51.37252 6.843158 144.6402       32.70497 144.6402       32.70497 144.6402       32.70497 51.37252 6.843158 51.37252 6.843158 -0.000000      0.000000 
1 1 1 -26 0  32 o 21.80803 11.04831 41.37798       29.36563 41.37798       29.36563 41.37798       29.36563 21.80803 11.04831 21.80803 11.04831 0.000000       0.000000 
1 1 1 -26 0  33 o 14.01052 9.028379 6.850263       28.61079 6.850263       28.61079 6.850263       28.61079 14.01052 9.028379 14.01052 9.028379 0.000000       0.000000 
1 1 1 -26 0  34 o 16.72887 10.02018 21.71080       29.28931 21.71080       29.28931 21.71080       29.28931 16.72887 10.02018 16.72887 10.02018 -0.000000      0.000000 
1 1 1 -26 0  35 o 23.00069 11.27145 46.70690       30.09068 46.70690       30.09068 46.70690       30.09068 23.00069 11.27145 23.00069 11.27145 -0.000000      0.000000 
1 1 1 -26 0  36 o 17.22523 11.20362 16.22000       45.46292 16.22000       45.46292 16.22000       45.46292 17.22523 11.20362 17.22523 11.20362 0.000000       0.000000 
1 1 1 -26 0  37 o 27.98703 14.32304 81.73000       49.64616 81.73000       49.64616 81.73000       49.64616 27.98703 14.32304 27.98703 14.32304 -0.000000      0.000000 
1 1 1 -26 0  38 o 19.36011 11.01867 35.02376       32.55444 35.02376       32.55444 35.02376       32.55444 19.36011 11.01867 19.36011 11.01867 -0.000000      0.000000 
1 1 1 -26 0  39 o 11.04124 7.931430 -51.23000      41.26400 -51.23000      41.26400 -51.23000      41.26400 11.04124 7.931430 11.04124 7.931430 -0.000000      0.000000 
1 1 1 -26 0  40 o 112.2038 7.652126 700.9000       83.12988 700.9000       83.12988 700.9000       83.12988 112.2038 7.652126 112.2038 7.652126 -0.000000      0.000000 
1 1 1 -26 0  41 o 10.38659 7.386798 -33.36906      32.40260 -33.36906      32.40260 -33.36906      32.40260 10.38659 7.386798 10.38659 7.386798 -0.000000      0.000000 
1 1 1 -26 0  42 o 16.78885 10.42867 22.61575       34.37865 22.61575       34.37865 22.61575       34.37865 16.78885 10.42867 16.78885 10.42867 -0.000000      0.000000 
1 1 1 -26 0  43 o 12.17054 8.409593 -13.83529      33.87959 -13.83529      33.87959 -13.83529      33.87959 12.17054 8.409593 12.17054 8.409593 0.000000       0.000000 
1 1 1 -26 0  44 f 12.21121 8.411516 -11.89339      33.26368 -11.89339      33.26368 -11.89339      33.26368 12.21121 8.411516 12.21121 8.411516 0.000000       0.000000 
1 1 1 -26 0  45 o 22.44009 11.96115 50.89963       35.67215 50.89963       35.67215 50.89963       35.67215 22.44009 11.96115 22.44009 11.96115 0.000000       0.000000 
1 1 1 -26 0  46 o 27.30552 12.68051 71.12761       37.54587 71.12761       37.54587 71.12761       37.54587 27.30552 12.68051 27.30552 12.68051 -0.000000      0.000000 
1 1 1 -26 0  47 o 21.59672 12.06406 50.05873       38.08916 50.05873       38.08916 50.05873       38.08916 21.59672 12.06406 21.59672 12.06406 -0.000000      0.000000 
1 1 1 -26 0  48 o 13.06131 8.960459 -6.296146      36.86204 -6.296146      36.86204 -6.296146      36.86204 13.06131 8.960459 13.06131 8.960459 -0.000000      0.000000 
1 1 1 -26 0  49 o 19.91502 12.57813 48.23000       52.26161 48.23000       52.26161 48.23000       52.26161 19.91502 12.57813 19.91502 12.57813 0.000000       0.000000 
1 1 1 -26 1  1  o 71.46152 2.868904 252.8174       20.02676 252.9901       28.79647 252.6556       27.87046 71.04256 4.159282 71.04897 4.024013 -0.6408691E-02 5.787254 
1 1 1 -26 1  2  o 108.3091 3.015847 580.8929       31.94167 594.6935       46.18499 568.2397       44.22351 108.9137 4.340933 106.5124 4.250299 2.401230       6.075257 
1 1 1 -26 1  3  o 86.78600 2.914700 372.8346       24.72481 369.4046       35.52899 376.0555       34.42927 85.84586 4.241349 86.69844 4.068396 -0.8525848     5.877150 
1 1 1 -26 1  4  o 35.91587 4.027039 65.13550       13.91371 61.80947       20.20146 68.13721       19.19130 34.26265 6.253963 36.25467 5.587207 -1.992027      8.386235 
1 1 1 -26 1  5  o 57.87956 3.208309 166.5233       18.10528 160.1816       25.66965 172.8012       25.54029 56.26757 4.703747 58.53795 4.491721 -2.270382      6.503906 
1 1 1 -26 1  6  o 59.85007 3.156867 177.9541       18.42844 165.5409       25.70838 191.0741       26.43011 57.22972 4.628773 61.59562 4.412961 -4.365898      6.395292 
1 1 1 -26 1  7  o 61.95184 3.133157 190.6218       18.93783 179.2115       26.79966 202.0024       26.76465 59.54873 4.634266 63.36087 4.341772 -3.812145      6.350386 
1 1 1 -26 1  8  o 16.36178 6.027343 11.29211       12.71253 2.285092       18.56249 19.24811       17.44588 16.01886 6.801088 20.15089 7.107203 -4.132034      9.837029 
1 1 1 -26 1  9  o 69.23381 3.421965 238.7311       23.11810 241.3000       36.54816 237.0178       29.84794 68.68930 5.481326 68.56696 4.471663 0.1223450      7.073946 
1 1 1 -26 1  10 o 66.74155 3.479570 222.0927       22.65300 249.5000       36.15391 204.3783       29.06600 69.91249 5.323184 63.53180 4.707435 6.380692       7.106070 
1 1 1 -26 1  11 o 18.72097 6.515810 16.73013       14.63218 27.89000       20.34805 4.780000       21.05618 23.22828 7.688650 17.40245 7.308248 5.825827       10.60782 
1 1 1 -26 1  12 o 70.97276 3.827048 252.2758       26.48821 238.8000       36.96391 266.5000       37.97657 68.17439 5.588245 72.14210 5.417575 -3.967705      7.783226 
1 1 1 -26 1  13 o 15.55882 6.184161 7.467389       14.08317 -2.390000      19.78090 17.60000       20.05514 15.49557 6.798172 20.13609 7.541272 -4.640521      10.15312 
1 1 1 -26 1  14 o 25.45195 6.487306 34.90879       16.20732 29.75000       23.43276 39.64000       22.44064 24.01970 8.251132 26.88728 7.962833 -2.867580      11.46682 
1 1 1 -26 1  15 o 39.24477 4.522115 78.63969       17.05395 79.20927       22.89667 77.93000       25.55807 38.68862 6.259897 37.96205 7.140162 0.7265663      9.495695 
1 1 1 -26 1  16 o 20.31002 6.493583 21.38833       14.58126 21.89345       19.51563 20.75000       21.93838 21.17652 7.512507 21.29167 7.904414 -0.1151505     10.90493 
1 1 1 -26 1  17 o 47.57806 3.892630 114.1635       17.96992 104.5222       24.67096 125.0593       26.22696 44.73223 5.768719 49.08926 5.555822 -4.357029      8.009075 
1 1 1 -26 1  18 o 46.38158 4.036046 108.8492       18.14120 108.1637       25.42289 109.5605       25.89466 45.44073 5.851428 45.69836 5.928601 -0.2576332     8.329917 
1 1 1 -26 1  19 o 81.27802 3.612866 331.1903       28.67110 307.6743       36.11071 371.3000       47.16056 77.64767 4.774263 84.57892 5.730367 -6.931244      7.458598 
1 1 1 -26 1  20 o 12.97054 5.746599 -3.264832      14.46533 -11.36215      19.94557 5.719831       21.01004 13.95184 6.406415 17.38007 7.299629 -3.428222      9.712196 
1 1 1 -26 1  21 o 12.91167 5.820492 -6.031047      15.53886 -24.31532      20.58834 18.17000       23.68643 12.52390 5.982838 20.81247 8.095802 -8.288565      10.06660 
1 1 1 -26 1  22 o 23.84102 7.674060 31.13232       20.33994 2.101000       46.69823 37.92947       22.59594 22.96295 10.24034 25.98081 8.053795 -3.017862      13.02797 
1 1 1 -26 1  23 o 22.36484 6.893903 27.35675       16.58349 35.38549       23.97349 19.98979       22.96423 25.13166 8.346463 20.93489 8.016804 4.196774       11.57292 
1 1 1 -26 1  24 o 58.95992 4.091886 177.2603       23.46841 155.8000       36.69772 192.1098       30.52657 53.06451 7.255050 60.66558 5.190612 -7.601070      8.920662 
1 1 1 -26 1  25 o 18.36228 7.511698 11.13285       21.44625 13.66370       24.21036 1.909000       46.21931 19.56684 7.990008 22.31038 10.04954 -2.743546      12.83875 
1 1 1 -26 1  26 o 29.83912 6.471453 49.70780       18.35617 33.69165       25.74553 66.26778       26.17898 24.35050 8.629642 33.53177 8.073377 -9.181267      11.81736 
1 1 1 -26 1  27 f 25.45425 7.025257 37.28034       18.07552 35.84877       25.05439 38.83427       26.10315 24.73119 8.530433 25.53344 8.710366 -0.8022518     12.19175 
1 1 1 -26 1  28 o 39.92507 5.303023 85.31886       20.21207 89.05558       28.15322 81.34422       29.03557 39.13440 7.623775 36.84854 8.255369 2.285862       11.23713 
1 1 1 -26 1  29 o 55.38314 4.252156 158.9761       22.87485 166.2416       32.15661 151.5333       32.54677 55.11863 6.060120 52.19228 6.512111 2.926353       8.895653 
1 1 1 -26 1  30 o 49.21540 4.604563 127.2040       21.92422 140.9276       31.18871 113.7981       30.82555 50.22146 6.496634 44.32343 7.363375 5.898029       9.819651 
1 1 1 -26 1  31 o 25.17052 7.604801 37.95132       20.31307 44.75701       29.43236 31.76105       28.07008 26.51832 9.240442 23.44376 8.890669 3.074560       12.82302 
1 1 1 -26 1  32 o 42.95794 5.383886 99.96384       22.14254 104.7031       31.43761 95.29826       31.19239 41.73249 7.986915 39.42329 8.343840 2.309204       11.55034 
1 1 1 -26 1  33 o 16.97167 7.130144 8.601653       20.05468 22.33826       28.35960 -5.138832      28.36360 21.31413 8.668565 16.90704 7.716675 4.407082       11.60565 
1 1 1 -26 1  34 o 23.67684 7.774731 34.06081       20.82070 17.70785       29.14055 51.11528       29.75903 20.46033 8.595278 27.69786 9.301257 -7.237535      12.66460 
1 1 1 -26 1  35 o 18.29436 7.490784 14.01492       21.35143 28.81841       29.53182 -2.198287      30.90598 22.45359 8.945189 17.71582 8.074001 4.737766       12.05014 
1 1 1 -26 1  36 o 20.51696 8.237121 21.85269       25.23955 37.53590       30.09413 -15.34000      46.34395 24.17315 9.196643 19.26257 9.137667 4.910583       12.96438 
1 1 1 -26 1  37 o 16.79462 7.562772 0.5706176      26.15344 1.416000       46.70696 0.1844878      31.56615 20.51471 9.553265 17.93309 8.167899 2.581617       12.56899 
1 1 1 -26 1  38 o 19.96581 8.363633 18.91570       27.47001 61.07000       51.56345 2.210588       32.45980 27.20620 11.43165 18.27774 8.308426 8.928467       14.13197 
1 1 1 -26 1  39 o 42.29415 7.061922 107.5787       28.20531 109.6000       47.03813 106.4439       35.24430 35.85465 11.68058 39.35474 9.297995 -3.500092      14.92946 
1 1 1 -26 1  40 o 15.69807 7.245129 -6.373264      25.97141 -18.06872      31.76955 17.19000       45.09416 15.86818 7.538476 21.61499 9.812576 -5.746817      12.37398 
1 1 1 -26 1  41 o 18.95015 8.069306 15.24290       26.26370 21.91412       32.01049 1.502000       45.94067 20.78078 8.880396 20.03986 9.378891 0.7409248      12.91608 
1 1 1 -26 1  42 o 25.74306 8.371595 44.78986       24.16791 52.14963       34.09470 37.35721       34.26310 26.30947 9.836946 23.44385 9.530619 2.865622       13.69665 
1 1 1 -26 1  43 o 27.14491 8.335116 49.78744       24.27066 59.37422       34.32436 40.20118       34.32343 27.78653 9.951640 23.91850 9.604700 3.868031       13.83060 
1 1 1 -26 1  44 o 14.65269 6.802879 -7.947635      23.40776 -15.41727      32.78898 -0.1842950     33.42739 16.16520 7.673484 17.85688 8.233636 -1.691683      11.25500 
1 1 1 -26 1  45 o 14.75027 6.883263 -9.153496      24.45104 -17.32876      34.40490 -0.8106353     34.75576 16.27389 7.763159 17.94355 8.316478 -1.669664      11.37675 
1 1 1 -26 1  46 o 16.49142 7.456210 2.179383       25.71999 10.66553       37.03634 -5.725366      35.74514 19.42834 8.848324 17.50651 8.218697 1.921833       12.07642 
1 1 1 -26 1  47 o 13.35615 6.460837 -24.76735      25.80844 -71.19270      36.73144 20.49949       36.27024 13.16535 6.601714 20.33006 9.048112 -7.164717      11.20049 
1 1 1 -26 1  48 o 24.02318 8.821266 43.26167       27.19387 47.29346       38.65990 39.31303       38.25912 23.85308 9.951856 22.66177 9.696968 1.191305       13.89499 
1 1 1 -26 1  49 o 15.87985 7.716138 -23.80899      37.89679 6.804000       51.17260 -60.99000      56.39559 19.67738 9.408890 16.64778 8.323238 3.029604       12.56199 
1 1 1 -26 2  1  o 40.50906 4.113817 82.75281       16.08587 98.96845       21.84105 63.53000       23.78016 43.98531 5.171642 34.36469 7.295439 9.620613       8.942556 
1 1 1 -26 2  2  o 42.68092 3.556930 91.12621       14.72492 83.68935       22.07833 97.08447       19.76203 40.18326 5.779278 43.72546 4.690562 -3.542194      7.443213 
1 1 1 -26 2  3  o 53.23188 3.159175 140.8504       16.38680 145.9622       24.39525 136.6475       22.12027 53.70604 4.687548 52.06071 4.381467 1.645321       6.416413 
1 1 1 -26 2  4  o 67.99534 3.012112 229.2328       19.99757 239.9234       29.60938 220.2667       27.11645 69.06680 4.402717 66.24553 4.203545 2.821266       6.087175 
1 1 1 -26 2  5  o 36.98185 3.969091 68.97243       14.14310 96.60709       21.06130 46.27623       19.08687 43.48730 5.041128 29.38699 6.774290 14.10031       8.444168 
1 1 1 -26 2  6  o 37.67508 3.969686 71.56715       14.41941 66.08662       20.95236 76.49834       19.87454 35.43300 6.270546 38.50000 5.424022 -3.067005      8.290945 
1 1 1 -26 2  7  o 63.76644 3.131242 201.9406       19.48430 200.8553       28.07452 202.9491       27.06322 63.07771 4.578218 63.48789 4.381820 -0.4101791     6.337225 
1 1 1 -26 2  8  o 24.78549 5.762022 32.51888       13.71313 44.16000       21.39676 24.40419       17.86432 28.49373 7.551310 21.87536 7.202569 6.618374       10.43548 
1 1 1 -26 2  9  o 39.86956 4.166322 80.36977       16.01953 88.27000       25.41296 75.16054       20.63584 40.89810 6.570619 38.01155 5.723661 2.886547       8.713973 
1 1 1 -26 2  10 o 31.87269 5.085979 52.56928       15.33421 60.01000       23.60818 47.13927       20.16767 33.22973 7.443414 29.51437 7.073335 3.715359       10.26823 
1 1 1 -26 2  11 o 22.00211 6.234917 25.66518       14.03828 25.26000       21.29582 25.97655       18.66881 22.55538 7.860053 22.43703 7.361701 0.1183586      10.76917 
1 1 1 -26 2  12 o 90.94282 3.911674 414.2419       34.73926 423.0000       49.58651 405.8000       48.68340 90.82186 5.605162 88.93870 5.620969 1.883163       7.938081 
1 1 1 -26 2  13 o 30.66640 5.682309 49.50595       16.42870 63.56000       23.70187 36.51000       22.79219 34.18598 7.304900 25.95791 8.095430 8.228075       10.90402 
1 1 1 -26 2  14 o 85.35074 3.474053 363.4815       28.96285 346.6279       36.90667 390.5000       46.72932 82.76723 4.573321 87.23601 5.500524 -4.468781      7.153393 
1 1 1 -26 2  15 o 16.79566 6.327690 11.51558       14.16487 7.962613       18.75783 16.23000       21.60734 17.27051 7.040266 20.08451 7.754255 -2.813993      10.47348 
1 1 1 -26 2  16 o 42.56276 4.418081 92.25748       18.13898 83.85014       23.63737 104.3000       28.28975 39.78611 6.277525 44.21421 6.750375 -4.428097      9.218183 
1 1 1 -26 2  17 o 20.69194 6.556310 22.37575       14.89185 12.55637       20.07275 34.39696       22.20951 18.74509 7.404487 25.17685 8.010222 -6.431765      10.90826 
1 1 1 -26 2  18 o 72.15935 3.383168 260.2072       23.82932 255.5802       33.45957 264.9694       33.94517 70.74418 4.861516 72.04939 4.841387 -1.305206      6.861002 
1 1 1 -26 2  19 o 61.30151 3.516372 188.4362       21.01098 188.7396       29.39746 188.1195       30.04103 60.62045 4.998705 60.44794 5.125508 0.1725121      7.159461 
1 1 1 -26 2  20 o 31.92982 5.749157 54.18220       17.30758 40.75191       22.26059 74.71000       27.52106 26.98189 7.915088 36.50177 7.930011 -9.519886      11.20418 
1 1 1 -26 2  21 o 19.55253 7.461602 16.44569       19.84861 -30.07000      45.76717 27.22127       22.02798 19.71159 9.268309 22.87402 7.992510 -3.162430      12.23854 
1 1 1 -26 2  22 o 60.90167 3.593044 186.7492       21.32377 188.3809       30.33887 185.1561       29.97711 60.26743 5.193542 59.75750 5.175955 0.5099335      7.332352 
1 1 1 -26 2  23 o 24.30433 6.805533 32.77888       16.82934 32.26454       23.89409 33.28524       23.70758 24.24442 8.331828 24.51725 8.301950 -0.2728348     11.76188 
1 1 1 -26 2  24 o 49.70226 4.200434 126.4968       20.24395 131.5189       29.26895 121.8910       28.02979 49.46706 6.179237 47.61628 6.157988 1.850780       8.723748 
1 1 1 -26 2  25 o 32.19779 6.383695 57.19660       19.40791 49.39000       28.97835 63.54647       26.13518 28.59684 9.155437 32.90290 8.156069 -4.306065      12.26146 
1 1 1 -26 2  26 o 50.05209 5.249103 132.4737       25.33447 145.0106       29.00240 92.10000       52.04606 51.97363 5.799636 35.66470 12.29514 16.30893       13.59434 
1 1 1 -26 2  27 o 54.69239 4.134579 154.0797       21.97029 147.8517       30.73263 160.5895       31.42013 52.05231 6.150550 54.39793 6.000501 -2.345623      8.592746 
1 1 1 -26 2  28 o 35.85142 5.924820 70.46452       20.06598 77.28406       28.09603 63.36462       28.66776 35.93750 8.172462 31.92922 8.860834 4.008280       12.05419 
1 1 1 -26 2  29 o 67.78272 3.883876 235.6868       25.66072 223.7080       35.74059 248.4312       36.86499 64.32874 5.736218 67.96647 5.590704 -3.637733      8.010004 
1 1 1 -26 2  30 o 21.73442 7.532494 26.75182       19.54462 33.96184       27.90502 19.80907       27.38292 24.03843 8.916499 20.92753 8.515513 3.110891       12.32956 
1 1 1 -26 2  31 o 33.51921 6.581338 64.06708       20.82201 71.44127       29.51351 56.75921       29.38049 33.54890 8.858247 29.57950 9.185986 3.969402       12.76130 
1 1 1 -26 2  32 o 50.49170 4.850771 135.3590       23.67921 128.9187       33.52896 141.7675       33.44611 46.81305 7.575905 49.61983 7.087403 -2.806774      10.37428 
1 1 1 -26 2  33 o 35.61635 6.516820 72.45496       21.88215 80.39645       30.24772 63.73527       31.69508 35.54943 8.752127 30.78104 9.537979 4.768389       12.94499 
1 1 1 -26 2  34 o 33.36023 7.054704 65.61154       22.31542 81.18985       30.68863 48.13202       32.50739 35.47912 8.863214 26.76381 9.672064 8.715303       13.11889 
1 1 1 -26 2  35 o 14.19948 6.708350 -17.25202      24.49660 -26.41109      28.85223 6.401000       46.36572 14.58558 6.998321 21.30153 9.776227 -6.715950      12.02294 
1 1 1 -26 2  36 o 30.57103 7.611434 57.74797       22.68788 68.09496       31.77756 46.98994       32.40258 31.30602 9.522912 26.14396 9.624162 5.162058       13.53922 
1 1 1 -26 2  37 o 12.96471 6.179743 -19.04890      21.71314 -24.05254      30.63723 -13.99942      30.77729 15.13334 7.247972 16.13784 7.591843 -1.004498      10.49615 
1 1 1 -26 2  38 o 28.64065 9.841802 60.32363       33.33929 0.000000       0.000000 60.32363       33.33929 ?        ?        28.64065 9.841802 ?              ?        
1 1 1 -26 2  39 o 23.28508 8.892069 35.59805       28.20088 -27.53000      52.29721 61.48085       33.48674 18.88618 9.150510 28.71744 9.863707 -9.831261      13.45454 
1 1 1 -26 2  40 o 24.07636 8.282248 37.99216       23.61236 18.99643       32.72641 58.61819       34.10187 20.53015 8.878404 27.99116 9.930694 -7.461008      13.32084 
1 1 1 -26 2  41 o 20.91042 8.491492 25.05064       27.16443 50.45321       33.32174 -25.28000      46.90348 26.11258 9.732470 18.11988 8.751693 7.992695       13.08866 
1 1 1 -26 2  42 o 21.93299 8.641067 30.25507       27.27284 24.73529       33.58119 40.95000       46.74379 21.30314 9.099426 24.13868 10.52320 -2.835537      13.91177 
1 1 1 -26 2  43 o 15.62542 7.072575 -0.8377859     23.21835 -52.59819      32.89739 50.53621       32.77436 13.44046 6.659068 26.05059 9.663126 -12.61013      11.73538 
1 1 1 -26 2  44 o 18.03452 7.670269 13.22051       23.68125 31.57937       33.39970 -5.338998      33.58173 22.25829 9.265401 17.31204 8.074743 4.946249       12.29021 
1 1 1 -26 2  45 o 13.65767 6.505480 -17.52943      23.97590 -28.39285      33.66608 -6.349327      34.15327 15.19915 7.358785 17.26053 8.080890 -2.061384      10.92943 
1 1 1 -26 2  46 f 20.50308 8.274440 25.38555       25.61200 16.56087       35.88304 34.55053       36.56835 19.98771 8.940634 22.54665 9.558077 -2.558941      13.08785 
1 1 1 -26 2  47 o 16.86175 7.550919 5.707474       25.67286 17.69308       35.94241 -6.776946      36.68272 19.92949 8.928822 17.39239 8.214465 2.537098       12.13265 
1 1 1 -26 2  48 o 21.90789 8.615881 34.00835       27.07187 14.92156       37.65552 54.42787       38.94798 19.48313 8.891998 24.95254 10.15486 -5.469408      13.49774 
1 1 1 -26 2  49 o 21.05046 9.916905 24.41000       52.84672 24.41000       52.84672 0.000000       0.000000 21.05046 9.916905 ?        ?        ?              ?        
1 1 1 -26 3  1  o 50.51569 3.213805 126.9689       15.80863 135.8524       24.02368 120.1842       20.99477 51.75504 4.796788 48.77724 4.446138 2.977791       6.540437 
1 1 1 -26 3  2  o 78.65907 3.879933 309.1368       29.78084 306.3000       43.22576 311.7000       41.08842 77.36234 5.749402 78.24567 5.397872 -0.8833313     7.886231 
1 1 1 -26 3  3  o 65.73484 3.045308 214.3456       19.54120 190.6454       28.10060 236.5389       27.19264 61.41053 4.710805 68.71066 4.061275 -7.300129      6.219778 
1 1 1 -26 3  4  o 45.21040 3.461946 102.0892       15.20367 102.0047       22.85708 102.1564       20.36119 44.58603 5.343729 44.84838 4.708332 -0.2623520     7.122066 
1 1 1 -26 3  5  o 69.37897 3.003730 238.6650       20.35002 254.2700       30.51641 226.1683       27.30859 71.09401 4.406913 67.12949 4.176731 3.964516       6.071735 
1 1 1 -26 3  6  o 102.7123 3.083775 522.9838       30.96844 506.1844       44.41270 538.8815       43.20425 100.3082 4.535126 103.6637 4.267005 -3.355484      6.226933 
1 1 1 -26 3  7  o 70.60818 3.345143 248.0306       23.05363 263.4000       38.29469 239.2945       28.87147 71.80058 5.490490 68.98744 4.296889 2.813141       6.971997 
1 1 1 -26 3  8  o 52.57089 3.668155 138.2660       18.75711 131.2000       29.47717 143.0738       24.31506 50.24783 6.119291 53.10744 4.726839 -2.859615      7.732317 
1 1 1 -26 3  9  o 32.94060 4.882432 55.84579       15.26664 46.82000       23.28337 62.65271       20.21988 29.21629 7.937214 34.44793 6.225740 -5.231644      10.08758 
1 1 1 -26 3  10 o 34.47596 4.601429 60.78784       15.14062 73.47000       23.56831 51.87614       19.75659 37.14785 6.729398 31.10417 6.688053 6.043688       9.487616 
1 1 1 -26 3  11 o 40.14098 4.300318 81.73090       16.63340 77.99000       26.38801 84.19718       21.42596 37.98505 7.363081 40.28210 5.584010 -2.297047      9.241002 
1 1 1 -26 3  12 o 35.93618 4.974399 66.52644       17.02892 54.20000       24.13316 78.75000       24.03222 31.33784 7.877401 38.47969 6.619159 -7.141855      10.28916 
1 1 1 -26 3  13 o 11.78654 5.308891 -5.537693      12.89668 -8.569796      17.29910 -1.744000      19.35008 13.35470 6.068542 15.44040 6.750113 -2.085694      9.076961 
1 1 1 -26 3  14 o 41.39146 4.392694 87.14552       17.52565 78.29190       22.77497 100.0000       27.44256 38.47366 6.262888 43.37561 6.677462 -4.901947      9.154903 
1 1 1 -26 3  15 o 74.76624 3.546070 279.4937       25.87734 252.9911       32.85486 322.8000       41.99818 70.51161 4.788695 79.25226 5.447056 -8.740646      7.252725 
1 1 1 -26 3  16 o 90.78068 3.579108 412.0945       31.74114 377.4927       39.64275 473.9000       52.98202 86.20693 4.715988 95.85251 5.672376 -9.645576      7.376747 
1 1 1 -26 3  17 f 45.69509 4.388514 106.2391       19.38774 88.30758       25.07379 132.9000       30.57381 40.70215 6.513061 50.17191 6.368944 -9.469757      9.109523 
1 1 1 -26 3  18 o 41.00133 4.404912 85.82391       17.40143 67.18426       24.08821 106.1686       25.16582 35.00298 7.268600 44.98956 5.853342 -9.986580      9.332424 
1 1 1 -26 3  19 o 43.86689 4.636969 98.68192       19.60928 81.79041       25.52678 123.0000       30.62855 38.80059 6.977788 47.91982 6.713837 -9.119221      9.683240 
1 1 1 -26 3  20 o 17.05131 7.101241 6.301879       19.63259 -46.93000      48.24216 16.86780       21.49288 19.01438 9.103623 20.05037 7.735651 -1.035994      11.94639 
1 1 1 -26 3  21 o 62.67527 3.557006 197.4080       21.73204 182.7274       30.57678 212.3940       30.89317 59.34428 5.320282 64.24864 4.950533 -4.904362      7.267268 
1 1 1 -26 3  22 o 60.51771 3.632313 184.5990       21.41749 181.1128       30.28747 188.0859       30.29035 58.99163 5.301746 60.19644 5.191433 -1.204807      7.420208 
1 1 1 -26 3  23 o 29.26452 6.092933 46.61174       16.88508 44.53190       23.05949 49.01601       24.79284 27.83120 8.024810 29.05613 8.303109 -1.224932      11.54726 
1 1 1 -26 3  24 o 13.31974 5.938700 -3.706573      15.69705 9.571800       21.33440 -19.37897      23.17799 18.04923 7.449335 13.98437 6.581715 4.064869       9.940400 
1 1 1 -26 3  25 o 23.04807 7.016439 29.78095       17.24647 25.99512       23.83530 33.94104       24.98574 22.32513 8.248041 24.48754 8.515015 -2.162409      11.85477 
1 1 1 -26 3  26 o 40.51983 5.240915 87.24654       20.30006 69.74000       29.93474 102.1523       27.62179 33.73240 8.928062 42.79751 6.822555 -9.065117      11.23644 
1 1 1 -26 3  27 o 18.00279 7.509090 9.738635       22.00200 8.546460       24.63419 14.44000       48.91931 18.42318 7.828856 23.60201 10.50597 -5.178833      13.10215 
1 1 1 -26 3  28 o 25.89810 7.318950 39.21344       19.37107 48.15414       26.83655 29.48804       27.98946 27.90491 8.796164 23.21753 8.860529 4.687389       12.48525 
1 1 1 -26 3  29 o 40.38765 5.525347 88.30019       21.27102 81.21390       29.71779 95.74461       30.45946 36.43312 8.490978 40.07650 8.044572 -3.643383      11.69666 
1 1 1 -26 3  30 o 33.15942 6.692281 62.77633       20.97171 56.81962       29.32263 69.01396       30.00613 29.73204 9.167421 32.91175 9.038983 -3.179714      12.87419 
1 1 1 -26 3  31 o 67.52499 4.008819 235.4772       26.37716 244.7438       36.95440 225.8525       37.66154 67.12563 5.677533 64.00933 6.084093 3.116302       8.321692 
1 1 1 -26 3  32 o 26.86256 7.691369 43.76582       21.25385 63.16479       28.98194 21.19387       31.26242 31.28384 8.989148 21.56983 8.970222 9.714008       12.69920 
1 1 1 -26 3  33 o 15.52742 6.851294 0.8663851      20.35909 8.936498       27.09298 -9.601874      30.85704 18.64055 8.069704 16.96567 7.853798 1.674881       11.26065 
1 1 1 -26 3  34 o 17.36200 7.571667 5.584355       24.21857 0.5144200E-01  28.43021 20.22000       46.23907 17.52439 7.888788 22.90721 10.20431 -5.382818      12.89810 
1 1 1 -26 3  35 o 19.73972 8.133073 17.61801       25.37245 11.72285       30.58832 30.62000       45.42688 19.57337 8.523092 23.89635 10.39632 -4.322971      13.44345 
1 1 1 -26 3  36 o 20.74706 7.879117 24.36412       22.06486 85.80020       31.37165 -35.77929      31.03985 36.05569 8.934862 14.33978 6.971348 21.71591       11.33276 
1 1 1 -26 3  37 o 34.22150 8.034066 74.44637       26.44817 76.87000       43.54404 73.02955       33.29306 30.59680 11.17414 31.83630 9.759704 -1.239498      14.83622 
1 1 1 -26 3  38 o 18.77846 7.739365 16.25477       22.98466 5.158353       32.79185 26.97151       32.22596 18.67428 8.433389 21.83666 9.096416 -3.162376      12.40431 
1 1 1 -26 3  39 o 29.85001 8.945045 61.62090       28.18806 19.34000       50.85777 80.36866       33.86569 22.29470 10.23456 33.24006 9.765825 -10.94536      14.14629 
1 1 1 -26 3  40 o 22.39960 8.760841 31.55899       27.85984 12.25000       50.37939 40.06514       33.43793 21.60778 10.01407 24.16258 9.552909 -2.554794      13.83978 
1 1 1 -26 3  41 o 22.24282 8.244365 31.54099       23.84852 3.934187       33.68766 59.27679       33.76627 18.52185 8.436776 27.99270 9.886369 -9.470848      12.99690 
1 1 1 -26 3  42 o 20.35887 8.421515 22.44454       27.34957 13.53916       34.04850 38.64000       45.91646 19.73065 8.774860 23.83036 10.40845 -4.099709      13.61375 
1 1 1 -26 3  43 o 21.40134 8.208557 28.45522       24.10187 48.80069       34.13227 8.221617       34.03831 25.56227 9.777443 19.01509 8.589279 6.547190       13.01438 
1 1 1 -26 3  44 o 37.88900 7.179746 88.51386       25.65300 107.5978       36.33469 69.54688       36.22320 38.56649 9.649631 29.46976 10.25227 9.096725       14.07922 
1 1 1 -26 3  45 o 28.81449 8.575160 57.62403       25.97415 30.41228       36.77207 84.72044       36.69405 22.12831 9.488461 32.73269 10.28113 -10.60438      13.99045 
1 1 1 -26 3  46 o 17.55559 7.707676 9.676348       25.47063 50.77017       36.22178 -30.51839      35.82334 25.25986 9.956320 15.40995 7.491082 9.849911       12.45972 
1 1 1 -26 3  47 o 29.16377 8.740932 61.47380       26.91455 35.13924       37.79695 88.56287       38.33458 22.36264 9.604878 32.30822 10.54602 -9.945580      14.26437 
1 1 1 -26 3  48 o 15.60497 7.586301 -26.33210      36.75341 -26.33210      36.75341 0.000000       0.000000 15.60497 7.586301 ?        ?        ?              ?        
1 1 1 -26 4  1  o 87.93889 4.386599 388.4538       37.63933 384.3000       55.89540 391.9000       50.91290 86.02509 6.690688 87.37191 5.989418 -1.346817      8.979891 
1 1 1 -26 4  2  o 52.58384 3.251227 137.6134       16.65239 146.1453       25.40052 131.1823       22.05280 53.64748 4.890846 50.96092 4.466096 2.686558       6.623171 
1 1 1 -26 4  3  o 78.53158 2.945433 305.5267       22.60109 280.5187       32.73701 328.3013       31.24098 74.64088 4.501729 81.02322 3.951122 -6.382332      5.989735 
1 1 1 -26 4  4  o 28.36310 4.946770 41.64780       13.23437 45.39558       20.64327 39.03255       17.24442 28.96003 7.288899 27.00294 6.584450 1.957092       9.822577 
1 1 1 -26 4  5  o 48.57570 3.405467 117.7316       16.08947 102.9550       24.48228 128.9654       21.34657 44.62286 5.737804 50.55320 4.356386 -5.930344      7.204199 
1 1 1 -26 4  6  o 30.21709 4.913134 47.13647       14.03299 47.18000       23.40901 47.11205       17.53253 29.35963 7.951217 29.79906 6.212440 -0.4394302     10.09040 
1 1 1 -26 4  7  o 22.01516 6.220193 25.63725       13.99311 74.14000       24.41463 1.910113       17.07614 37.26215 6.949426 15.34937 6.520225 21.91278       9.529316 
1 1 1 -26 4  8  o 69.93465 3.336110 243.4281       22.77115 250.0000       37.73996 239.6660       28.55454 69.85500 5.565460 69.03574 4.246209 0.8192520      7.000331 
1 1 1 -26 4  9  o 79.53649 3.329407 314.7540       25.86295 308.1000       42.16065 318.7687       32.74857 77.54960 5.591746 79.65313 4.215336 -2.103531      7.002620 
1 1 1 -26 4  10 o 23.81573 6.002177 30.22029       13.98480 26.17000       22.03014 32.95413       18.09923 22.91464 7.993827 24.75171 7.101041 -1.837069      10.69234 
1 1 1 -26 4  11 o 61.10190 3.460119 186.3811       20.60979 204.2000       33.43830 175.4649       26.17215 63.06343 5.471097 58.84640 4.579772 4.217033       7.134930 
1 1 1 -26 4  12 o 28.70399 5.235953 43.07696       14.16919 29.90284       20.05519 56.20670       20.02139 23.77003 7.617156 32.40027 6.538739 -8.630241      10.03873 
1 1 1 -26 4  13 o 31.44102 5.362397 51.65880       15.91144 42.44095       20.93734 64.26000       24.48006 27.81302 7.514366 34.26499 7.506884 -6.451965      10.62163 
1 1 1 -26 4  14 o 70.11452 3.529571 245.7498       24.14555 219.7817       30.66746 288.1000       39.16388 65.71114 4.801091 74.92382 5.375959 -9.212685      7.207733 
1 1 1 -26 4  15 o 9.805785 4.716588 -18.76528      13.29187 -13.46577      17.68802 -25.64000      20.14600 12.72907 5.911100 12.25653 5.872087 0.4725456      8.332017 
1 1 1 -26 4  16 o 79.79160 3.941140 320.0315       30.68593 338.9000       43.77387 301.8000       43.02863 81.08421 5.548785 76.31830 5.803515 4.765907       8.029309 
1 1 1 -26 4  17 o 30.64425 5.697535 49.70721       16.46113 35.58003       21.29945 70.66000       25.93950 25.49153 7.804696 35.77403 7.640058 -10.28251      10.92171 
1 1 1 -26 4  18 o 34.08087 7.432105 64.13680       24.09281 48.60000       49.46127 68.97000       27.58686 30.13617 11.70549 34.98563 8.199592 -4.849466      14.29167 
1 1 1 -26 4  19 o 27.30976 6.112920 40.26220       15.93256 31.57678       22.54717 48.92436       22.51696 24.22764 8.095579 29.55053 7.706110 -5.322897      11.17688 
1 1 1 -26 4  20 o 28.88284 6.024773 44.91314       16.48083 45.01926       22.94965 44.80014       23.68246 28.24600 7.960785 28.13920 8.138207 0.1067924      11.38440 
1 1 1 -26 4  21 o 26.55852 6.320684 38.47819       16.19269 48.87244       22.31149 26.91022       23.53751 29.44649 7.666859 22.92803 8.237348 6.518463       11.25321 
1 1 1 -26 4  22 o 32.86156 5.461709 57.28820       16.95160 55.13070       23.11473 59.79888       24.93497 31.19042 7.634056 32.35057 7.935562 -1.160145      11.01145 
1 1 1 -26 4  23 o 37.73348 5.320861 75.13460       19.10746 52.30000       27.22975 97.28550       26.81900 29.77067 8.759693 42.18458 6.720324 -12.41391      11.04061 
1 1 1 -26 4  24 o 45.31456 4.375247 105.8195       19.16541 100.8465       26.61152 111.1784       27.62486 42.96055 6.534019 45.21592 6.422112 -2.255367      9.161709 
1 1 1 -26 4  25 o 17.80117 6.778831 14.04797       16.36022 8.478477       22.19827 20.67024       24.20554 17.95110 7.518949 21.05416 8.185658 -3.103058      11.11484 
1 1 1 -26 4  26 o 53.00214 3.995369 144.0793       20.57534 110.6401       27.99828 183.3414       30.33823 44.69547 6.597852 58.81868 5.327196 -14.12321      8.480016 
1 1 1 -26 4  27 o 15.10673 6.527472 2.107605       17.65989 -5.773837      24.22557 11.04558       25.79828 15.93220 7.216604 19.14000 8.066686 -3.207799      10.82362 
1 1 1 -26 4  28 o 42.52702 5.305665 96.86156       21.60660 84.99917       29.44654 110.6976       31.80192 37.63823 8.223273 43.54359 7.745320 -5.905357      11.29656 
1 1 1 -26 4  29 o 38.90378 5.891372 83.10974       21.73300 91.78135       29.34741 72.57927       32.34029 39.31355 7.900813 33.48310 9.454825 5.830452       12.32139 
1 1 1 -26 4  30 o 43.99383 5.277353 104.0704       22.27249 117.6342       30.53170 88.64230       32.56239 45.24434 7.129908 37.49296 8.989339 7.751385       11.47361 
1 1 1 -26 4  31 f 34.35541 6.627152 67.38772       21.47826 61.61332       28.71086 74.72610       32.36630 30.98688 8.960279 33.76228 9.432087 -2.775400      13.00964 
1 1 1 -26 4  32 o 23.69296 7.787396 33.67134       20.88662 25.10190       27.76433 44.84393       31.70209 21.85958 8.684851 26.31094 9.545506 -4.451357      12.90517 
1 1 1 -26 4  33 o 23.83710 8.396834 34.88984       24.34584 21.98074       28.13931 73.32000       48.55138 21.13299 8.619859 30.53861 11.66605 -9.405615      14.50513 
1 1 1 -26 4  34 o 15.79192 7.189764 -4.742071      24.42732 12.41079       28.96670 -46.97000      45.44965 19.47330 8.386676 17.05368 8.322898 2.419626       11.81554 
1 1 1 -26 4  35 o 27.32554 8.011991 47.08765       22.81376 62.53459       31.57044 30.20564       33.00437 30.09972 9.547174 22.94674 9.344457 7.152981       13.35917 
1 1 1 -26 4  36 o 51.69488 5.559883 147.7555       27.69149 182.3000       44.71823 126.2702       35.26685 53.14473 8.911608 44.75162 8.358326 8.393112       12.21795 
1 1 1 -26 4  37 o 37.69225 7.420708 86.86890       26.40314 76.14000       41.37467 94.23968       34.29361 30.75265 10.93566 36.87920 9.456073 -6.126549      14.45704 
1 1 1 -26 4  38 o 25.66928 8.094339 43.06131       22.72304 38.92263       31.35077 47.64178       32.98170 24.01125 9.321251 25.75990 9.666052 -1.748650      13.42826 
1 1 1 -26 4  39 f 22.99396 8.309323 34.11407       23.99214 46.95026       35.18378 22.95737       32.80140 25.42929 9.873837 21.13284 9.008924 4.296446       13.36613 
1 1 1 -26 4  40 o 41.51530 7.636585 107.1294       29.88910 50.99000       55.35419 130.2335       35.51081 25.57351 11.29002 44.89737 8.388797 -19.32387      14.06543 
1 1 1 -26 4  41 o 22.54054 8.319521 32.75335       24.24000 58.16579       35.11580 9.622713       33.50218 27.54786 10.03862 19.19713 8.609034 8.350735       13.22458 
1 1 1 -26 4  42 o 28.69329 8.986366 58.16380       28.05409 49.39898       34.63665 74.88000       47.83360 25.68013 9.842690 28.85281 11.41987 -3.172680      15.07621 
1 1 1 -26 4  43 o 45.17702 6.980360 123.2175       29.87362 134.1645       37.18778 103.3000       50.16140 44.79924 8.794630 33.17023 12.01093 11.62901       14.88651 
1 1 1 -26 4  44 o 11.25494 5.594597 -45.96058      23.96635 -77.77611      34.23771 -15.39295      33.55954 12.40843 6.242657 16.28844 7.740945 -3.880006      9.944495 
1 1 1 -26 4  45 o 15.90234 7.277189 -2.161881      25.44227 -1.298480      36.49594 -2.978200      35.48690 18.17988 8.458803 17.84072 8.314431 0.3391628      11.86091 
1 1 1 -26 4  46 o 15.97196 7.323330 -1.661416      25.93468 40.20443       36.75916 -43.15583      36.59573 23.36783 9.723165 14.71130 7.238541 8.656528       12.12173 
1 1 1 -26 4  47 f 17.68754 8.321060 -3.555120      36.97725 -3.555120      36.97725 0.000000       0.000000 17.68754 8.321060 ?        ?        ?              ?        
1 1 1 -26 4  48 o 18.51117 8.029208 16.54282       26.92709 28.69316       37.80317 4.029088       38.36433 21.06190 9.312704 18.34698 8.581438 2.714924       12.66363 
1 1 1 -26 5  1  o 101.6998 2.993613 512.4047       29.76796 481.5441       42.56273 541.9541       41.64866 97.86838 4.454727 104.0474 4.097450 -6.178993      6.052577 
1 1 1 -26 5  2  o 56.73780 4.055220 161.6202       22.37279 131.9000       32.40199 188.7000       30.92918 50.09303 6.782353 60.83293 5.245442 -10.73990      8.574087 
1 1 1 -26 5  3  o 86.62290 2.953741 371.7551       25.00780 384.4580       37.61063 361.6885       33.48121 87.44589 4.408268 84.99391 4.035985 2.451981       5.976789 
1 1 1 -26 5  4  f 64.03938 3.109622 203.6718       19.43393 179.4358       29.09262 223.2010       26.11528 59.38764 5.052658 66.72816 4.016937 -7.340515      6.454854 
1 1 1 -26 5  5  o 52.32698 3.501834 136.7225       17.83284 159.8000       31.31678 125.6489       21.69347 55.65779 5.835012 49.83131 4.495847 5.826481       7.366140 
1 1 1 -26 5  6  f 100.7491 3.385437 504.8112       33.33841 516.5000       58.19727 499.1019       40.67352 100.2619 5.956930 99.76549 4.174321 0.4964218      7.273924 
1 1 1 -26 5  7  o 99.21429 3.382032 489.6474       32.79613 485.5000       56.12542 491.7978       40.41365 97.19049 5.927889 99.01354 4.179314 -1.823051      7.253036 
1 1 1 -26 5  8  o 32.10439 4.946259 53.18647       15.04501 50.79000       25.21408 54.51146       18.74835 30.31172 8.270098 32.07948 6.195067 -1.767765      10.33312 
1 1 1 -26 5  9  o 44.14892 3.938633 98.14775       16.84194 79.47000       27.45085 109.4224       21.32779 38.25641 7.598661 46.34272 4.769770 -8.086311      8.971642 
1 1 1 -26 5  10 o 28.49854 5.399361 42.59067       14.51041 48.87000       23.53010 38.73735       18.43251 29.76452 7.932957 26.73838 6.971987 3.026140       10.56127 
1 1 1 -26 5  11 o 86.76123 3.380697 375.0253       28.65538 408.9000       48.52843 356.8911       35.50644 89.26738 5.581825 84.16315 4.324517 5.104233       7.061035 
1 1 1 -26 5  12 o 70.17699 3.179356 245.1036       21.78265 221.3694       30.75487 268.9942       30.85601 65.98692 4.794268 73.01087 4.337181 -7.023949      6.464993 
1 1 1 -26 5  13 o 42.30286 4.276661 90.82936       17.46551 84.21347       22.91527 100.0000       26.97929 40.02423 6.036774 43.43000 6.550015 -3.405769      8.907600 
1 1 1 -26 5  14 o 40.98743 4.489447 85.69860       17.71716 63.76674       23.26143 116.0000       27.34198 34.21877 7.174542 47.03175 6.081493 -12.81298      9.405244 
1 1 1 -26 5  15 o 39.98854 4.566597 81.77593       17.55445 73.52581       23.29852 92.61000       26.69894 37.01781 6.675549 41.58510 6.793530 -4.567287      9.524442 
1 1 1 -26 5  16 o 22.93658 6.547827 28.31544       15.42595 7.306715       20.31878 56.90000       23.70082 17.58194 7.264466 32.03609 7.661654 -14.45416      10.55810 
1 1 1 -26 5  17 o 15.08094 6.720855 -4.893082      20.08018 -30.05000      46.56840 0.8527000      22.25549 20.07541 9.410708 16.89256 7.313428 3.182846       11.91838 
1 1 1 -26 5  18 o 16.92090 6.542960 10.95614       15.40145 -1.310792      20.00912 28.79000       24.12585 15.66789 6.856493 23.62515 8.355558 -7.957258      10.80865 
1 1 1 -26 5  19 o 35.59133 5.438325 66.52744       18.34559 62.17898       23.32546 73.58000       29.70542 33.52629 7.314077 35.85109 8.579667 -2.324791      11.27415 
1 1 1 -26 5  20 o 29.62575 5.764207 46.90740       16.11355 36.82310       21.71284 59.26975       24.04054 25.71563 7.881350 32.49582 7.680361 -6.780190      11.00471 
1 1 1 -26 5  21 o 17.39957 6.597309 12.77821       15.45472 12.09172       21.13038 13.56786       22.66252 18.72686 7.530440 19.45007 7.806492 -0.7232151     10.84660 
1 1 1 -26 5  22 o 18.92528 6.760621 17.54182       15.83057 14.44189       21.09188 21.54090       23.95630 19.19436 7.587569 21.48317 8.197647 -2.288813      11.17017 
1 1 1 -26 5  23 o 32.99804 5.686837 58.40281       17.70513 66.68701       24.60201 49.50296       25.49979 34.27522 7.538440 29.05159 8.457237 5.223629       11.32930 
1 1 1 -26 5  24 o 15.96217 6.561482 7.026270       16.46430 -19.03506      22.37546 37.79670       24.31311 13.69294 6.451415 25.57624 8.401684 -11.88330      10.59288 
1 1 1 -26 5  25 o 54.38046 4.030386 151.4529       21.30089 151.2599       30.06200 151.6475       30.18641 53.05442 5.887842 53.10807 5.906722 -0.5365372E-01 8.340026 
1 1 1 -26 5  26 o 42.48339 4.724164 94.68297       19.31308 83.58313       26.00155 108.3431       28.84485 38.27269 7.205020 43.89357 6.944482 -5.620884      10.00690 
1 1 1 -26 5  27 o 29.61296 6.628779 49.73589       18.73430 43.23894       25.13583 57.85543       28.09986 26.69585 8.524754 30.50010 8.877662 -3.804253      12.30790 
1 1 1 -26 5  28 o 19.83849 7.344152 20.21521       18.91425 33.36550       25.32743 3.634290       28.43988 23.92261 8.550709 18.42617 8.115278 5.496435       11.78865 
1 1 1 -26 5  29 o 17.04820 7.195239 7.655434       20.57213 6.920000       28.63812 8.439566       29.57108 18.88222 8.234138 19.32074 8.396995 -0.4385147     11.76055 
1 1 1 -26 5  30 o 17.54132 7.486159 7.527802       22.69439 17.11711       25.55763 -28.22000      49.34597 20.03684 8.198851 19.39267 9.263659 0.6441746      12.37079 
1 1 1 -26 5  31 o 20.04249 7.620714 20.72937       20.65658 35.34714       27.34494 1.301589       31.52448 24.19251 8.851877 18.59331 8.343646 5.599197       12.16438 
1 1 1 -26 5  32 o 22.33780 8.307026 28.65795       24.24970 54.31935       27.95694 -49.31000      48.73125 28.95133 8.955671 17.72309 8.642687 11.22824       12.44589 
1 1 1 -26 5  33 o 18.56110 7.770908 12.62951       23.69452 27.71818       27.89127 -26.50000      44.91537 22.24975 8.746823 18.39537 8.801026 3.854378       12.40826 
1 1 1 -26 5  34 o 27.94930 7.767924 48.46637       22.01405 35.25340       30.39364 63.04719       31.92814 23.85528 9.200230 30.23900 9.602279 -6.383720      13.29842 
1 1 1 -26 5  35 o 26.31751 8.423179 44.62124       24.52968 97.01000       39.16043 10.79270       31.46806 36.68229 10.41977 19.55962 8.577972 17.12267       13.49641 
1 1 1 -26 5  36 o 17.97115 7.689185 10.43636       24.05222 30.62000       36.89702 -4.478328      31.71748 23.01068 9.669541 17.45666 8.038697 5.554014       12.57460 
1 1 1 -26 5  37 o 18.47360 7.593877 15.42585       22.05306 -22.95262      29.92558 61.03867       32.62437 15.00142 7.179016 28.93403 9.738913 -13.93261      12.09895 
1 1 1 -26 5  38 o 43.11356 6.038916 106.3430       24.78673 107.1071       34.92756 105.5678       35.18128 39.66571 9.178112 39.18266 9.311130 0.4830513      13.07421 
1 1 1 -26 5  39 o 27.59189 8.172275 50.12054       23.63575 14.56437       33.48270 85.43685       33.36958 19.96839 8.799533 34.70213 9.532699 -14.73374      12.97321 
1 1 1 -26 5  40 o 20.01713 8.425239 19.79617       28.08354 0.9375000      53.30482 27.04195       33.04103 20.84158 9.861077 21.71530 9.139258 -0.8737125     13.44496 
1 1 1 -26 5  41 o 21.40312 8.663843 27.31210       28.17460 80.50000       53.37881 6.771492       33.17180 29.14152 11.87750 18.76044 8.476279 10.38108       14.59186 
1 1 1 -26 5  42 o 22.87719 8.282588 34.29770       23.85214 47.99735       33.92562 20.90635       33.54169 25.44126 9.743651 20.69666 8.969294 4.744604       13.24337 
1 1 1 -26 5  43 f 19.52593 8.224791 18.53913       26.79576 -0.9194230E-01 32.76145 56.19000       46.57273 17.78996 8.184087 26.05454 10.90047 -8.264584      13.63083 
1 1 1 -26 5  44 o 20.29757 8.485797 22.63196       28.19402 -3.471370      34.71646 73.20000       48.31985 17.66264 8.228845 28.11360 11.35833 -10.45096      14.02588 
1 1 1 -26 5  45 o 18.22247 7.854242 13.00322       25.44471 35.19807       36.81326 -7.299177      35.20884 22.83018 9.629795 17.34888 8.148523 5.481298       12.61473 
1 1 1 -26 5  46 o 16.90155 8.044890 -12.94663      36.53262 -12.94663      36.53262 0.000000       0.000000 16.90155 8.044890 ?        ?        ?              ?        
1 1 1 -26 5  47 o 15.70883 7.640345 -28.21256      37.39648 2.702000       54.78223 -55.19000      51.17508 20.12027 9.651121 16.47981 8.188980 3.640467       12.65715 
1 1 1 -26 5  48 o 18.36617 8.141761 13.98340       29.07708 -4.887000      49.32851 24.03142       35.99544 18.84654 9.070568 20.36780 9.042290 -1.521259      12.80774 
1 1 1 -26 6  1  o 54.65990 3.212266 148.6892       17.11070 98.38297       25.34406 190.8252       23.19489 43.41492 6.134646 61.72935 3.858080 -18.31443      7.246976 
1 1 1 -26 6  2  o 78.35204 2.958822 304.3229       22.65137 281.4244       33.60603 323.3871       30.66354 74.65994 4.621227 80.39597 3.908273 -5.736031      6.052300 
1 1 1 -26 6  3  f 44.61894 3.807754 99.97018       16.47131 81.94000       28.46917 109.0424       20.19447 38.84472 7.759203 46.38599 4.504383 -7.541271      8.971884 
1 1 1 -26 6  4  o 55.58175 3.427745 154.1024       18.55791 129.2000       32.02746 166.6894       22.76997 49.51919 6.785882 57.59919 4.064789 -8.079998      7.910165 
1 1 1 -26 6  5  o 42.92587 3.956355 92.79163       16.43652 94.76000       28.57359 91.81820       20.09384 42.09923 7.192102 42.37199 4.937211 -0.2727623     8.723668 
1 1 1 -26 6  6  o 41.32086 4.031708 86.14341       16.09946 104.8000       28.36489 77.27673       19.55444 44.53710 6.715135 38.69317 5.302350 5.843929       8.556164 
1 1 1 -26 6  7  o 35.59212 4.493079 64.61384       15.30510 70.87000       26.64828 61.53435       18.69625 36.01123 7.787124 34.28301 5.776591 1.728222       9.695787 
1 1 1 -26 6  8  o 30.99310 5.066899 49.80178       14.84076 24.58000       24.47758 64.46262       18.66208 22.86006 8.373227 35.15298 5.612274 -12.29292      10.08011 
1 1 1 -26 6  9  o 29.31343 5.085768 44.70620       14.06365 33.60000       22.93650 51.39726       17.80294 25.12268 8.154469 31.14026 6.058809 -6.017576      10.15896 
1 1 1 -26 6  10 o 35.19374 4.420040 63.21384       14.89143 70.79471       23.26460 57.95199       19.38231 36.35584 6.787104 33.03601 6.222144 3.319828       9.207598 
1 1 1 -26 6  11 o 69.71523 3.098237 241.6946       21.08930 252.9407       31.18204 232.2137       28.63060 70.69413 4.530086 67.81909 4.335635 2.875038       6.270519 
1 1 1 -26 6  12 o 14.26379 5.798653 4.971078       12.68348 -2.169285      18.56522 11.22079       17.36880 15.03656 6.591691 17.67695 6.916312 -2.640397      9.554358 
1 1 1 -26 6  13 o 34.70782 4.650448 61.88808       15.40174 72.34598       22.25163 52.26982       21.33969 36.86260 6.398910 30.91595 7.188343 5.946648       9.623841 
1 1 1 -26 6  14 o 59.15116 3.723022 175.6305       21.44651 159.1030       28.04711 198.9000       33.27962 55.62347 5.212092 62.05403 5.537120 -6.430565      7.604315 
1 1 1 -26 6  15 o 14.84878 6.144613 4.390006       14.56760 -0.9146464E-01 19.93182 9.529000       21.34400 15.92278 6.907234 18.39153 7.505139 -2.468741      10.19985 
1 1 1 -26 6  16 o 58.11074 5.031465 173.2719       28.33747 127.4000       51.76568 192.9000       33.86168 45.41713 11.60339 60.91847 5.746662 -15.50134      12.94847 
1 1 1 -26 6  17 o 23.54031 6.675763 30.06872       16.08761 33.52936       21.33733 25.51000       24.48969 24.79161 7.847015 22.84208 8.373890 1.949537       11.47596 
1 1 1 -26 6  18 o 17.39826 6.657525 12.20510       15.82923 -1.368716      20.25536 33.50000       25.37037 15.73288 6.891392 24.96843 8.585188 -9.235549      11.00894 
1 1 1 -26 6  19 o 23.66535 6.811917 30.59851       16.62914 7.712010       20.98660 69.21000       27.25904 17.76893 7.366098 34.95440 8.122328 -17.18546      10.96502 
1 1 1 -26 6  20 o 11.93557 5.490361 -9.301970      14.73987 -12.36362      19.87770 -5.562011      21.96958 13.74110 6.340676 15.58825 6.982534 -1.847154      9.431858 
1 1 1 -26 6  21 o 49.32198 4.006577 123.6761       19.17640 113.4235       26.48777 134.9687       27.79877 46.17538 6.002337 50.60206 5.712154 -4.426682      8.285937 
1 1 1 -26 6  22 o 13.80934 5.978670 0.1879795      14.87361 -7.323716      19.79335 9.931445       22.54275 14.39834 6.522347 18.51596 7.651173 -4.117620      10.05393 
1 1 1 -26 6  23 o 38.64124 4.887065 78.09580       18.07167 69.03539       24.71688 88.50240       26.48952 34.87819 7.465305 39.89827 7.040138 -5.020081      10.26130 
1 1 1 -26 6  24 o 29.75642 6.364154 49.06878       17.97548 39.17286       24.05583 61.58044       27.04891 25.91712 8.345963 32.14054 8.477459 -6.223427      11.89632 
1 1 1 -26 6  25 o 30.69632 6.256529 52.25174       18.16013 37.52082       23.97413 72.08331       27.81676 25.29583 8.344528 34.79464 8.286649 -9.498812      11.76009 
1 1 1 -26 6  26 o 31.36518 6.337469 54.94439       18.78640 56.09398       25.20315 53.50702       28.18163 30.48892 8.247423 29.34176 8.976340 1.147161       12.18994 
1 1 1 -26 6  27 o 42.82031 4.943092 97.03409       20.33846 100.2744       27.50674 93.12601       30.20860 42.12218 6.910935 39.62880 8.062471 2.493378       10.61906 
1 1 1 -26 6  28 o 23.70762 7.408027 32.82506       19.07604 22.04038       25.38506 46.81583       28.91315 21.16842 8.337626 27.27118 9.168197 -6.102758      12.39241 
1 1 1 -26 6  29 o 18.27599 7.213882 14.64640       19.03996 -5.769943      24.87095 43.55285       29.59381 15.99751 7.272198 26.31404 9.258683 -10.31653      11.77319 
1 1 1 -26 6  30 o 46.98569 5.450536 119.5217       24.60295 116.3000       35.52010 122.4927       34.11034 43.38447 8.667822 45.25691 7.992227 -1.872437      11.79012 
1 1 1 -26 6  31 o 28.13902 8.229047 49.22200       24.09375 72.10838       27.56665 -24.83000      49.58653 34.11954 8.328291 19.56827 9.330566 14.55127       12.50679 
1 1 1 -26 6  32 f 20.81939 7.966661 23.22862       22.66668 29.13011       26.08512 5.035000       45.80063 22.52660 8.564087 21.40337 9.782944 1.123234       13.00191 
1 1 1 -26 6  33 o 15.30072 6.770282 0.4034711      20.01506 -14.33648      26.60345 19.62873       30.38268 15.22890 7.130471 20.95600 8.788303 -5.727104      11.31715 
1 1 1 -26 6  34 o 15.93491 7.166448 -1.440454      23.39922 -11.41000      36.35036 5.613538       30.57656 17.85563 8.352118 18.66719 8.307855 -0.8115654     11.78042 
1 1 1 -26 6  35 o 41.59212 6.616389 100.0540       26.03499 129.9000       41.21618 80.23898       33.58323 43.56190 9.892610 34.03847 9.642739 9.523426       13.81471 
1 1 1 -26 6  36 o 22.03395 7.937654 29.67373       21.87312 42.66860       30.14679 15.22845       31.78469 25.08409 9.274448 20.04363 8.708444 5.040457       12.72212 
1 1 1 -26 6  37 o 17.27715 7.402922 9.258088       22.35363 10.89904       31.04328 7.490936       32.21487 19.17346 8.460099 18.89517 8.460208 0.2782936      11.96446 
1 1 1 -26 6  38 o 19.43283 7.825262 19.71572       22.85167 23.88305       32.05513 15.40929       32.58568 21.18837 8.964028 19.93735 8.736710 1.251020       12.51734 
1 1 1 -26 6  39 o 21.91304 8.173111 29.86011       23.50764 51.83329       33.34686 8.153838       33.14371 26.56976 9.766369 19.05295 8.552151 7.516809       12.98157 
1 1 1 -26 6  40 o 16.89468 7.391144 6.814739       23.23602 -3.236485      33.02236 16.67151       32.70137 17.55594 8.126223 20.03649 8.766887 -2.480547      11.95382 
1 1 1 -26 6  41 o 36.73241 8.282537 88.34727       29.06650 115.6000       54.74831 77.65058       34.29969 34.24651 12.52600 32.11613 9.917133 2.130375       15.97655 
1 1 1 -26 6  42 o 26.25821 9.077364 49.21268       28.37615 0.5541000      53.45520 68.30399       33.48329 20.68309 9.812164 29.99443 9.859962 -9.311335      13.91033 
1 1 1 -26 6  43 o 12.92073 6.209728 -21.90864      22.92964 -3.293118      32.34916 -40.70536      32.50622 17.33075 8.029303 14.08249 6.907569 3.248255       10.59171 
1 1 1 -26 6  44 o 30.89502 8.973095 67.91589       28.73528 58.71223       35.08784 86.66000       50.07356 27.21812 10.01580 29.90293 11.73051 -2.684807      15.42469 
1 1 1 -26 6  45 o 12.75141 6.301702 -44.88785      28.79047 -29.99833      34.89213 -76.65000      50.96149 15.31989 7.434742 15.81119 7.906047 -0.4913044     10.85269 
1 1 1 -26 6  46 o 16.58115 7.957808 -18.20308      37.35856 -36.27000      55.98357 -3.699000      50.16070 18.20308 8.955912 19.48302 9.315803 -1.279932      12.92256 
1 1 1 -26 6  47 o 14.11686 6.714401 -14.81177      25.35228 13.12067       36.64722 -40.44900      35.10930 19.27099 8.786329 14.39205 7.083130 4.878939       11.28585 
1 1 1 -26 6  48 o 17.93545 8.020710 11.15816       28.86012 -2.308000      47.62923 18.97077       36.27851 18.86053 9.034144 19.75416 8.900312 -0.8936329     12.68193 
1 1 1 -26 7  1  o 58.42743 3.688804 170.7751       20.98872 140.2892       27.85793 210.8000       31.92010 52.21690 5.534607 64.32451 5.111701 -12.10760      7.534014 
1 1 1 -26 7  2  o 56.42684 3.425462 158.8479       18.83044 121.4000       32.46256 177.8379       23.11706 47.76271 7.164375 59.51872 3.991079 -11.75601      8.201035 
1 1 1 -26 7  3  o 83.84420 3.262608 349.5091       26.72479 304.4000       45.62650 373.0674       32.97295 76.73396 6.125497 86.33575 3.911927 -9.601791      7.268074 
1 1 1 -26 7  4  o 38.12909 4.217002 73.68582       15.47590 79.05000       27.28990 71.14296       18.78932 38.18302 7.569263 37.08549 5.328919 1.097527       9.256949 
1 1 1 -26 7  5  o 25.48307 5.691820 34.38630       13.83858 35.11000       24.60336 34.05139       16.73713 25.71621 8.451895 25.16658 6.682859 0.5496292      10.77474 
1 1 1 -26 7  6  o 16.69193 6.145845 11.90992       13.21453 8.321000       23.92622 13.48520       15.85153 19.01120 7.871629 17.94169 6.707558 1.069510       10.34185 
1 1 1 -26 7  7  o 23.87428 5.978160 30.39831       13.93771 19.88000       24.43790 35.46911       16.96794 21.67660 8.277642 25.64948 6.689871 -3.972883      10.64301 
1 1 1 -26 7  8  o 61.46376 3.358365 188.4160       20.12797 187.7000       34.63086 188.7812       24.73483 60.16513 5.958659 61.22338 4.152048 -1.058254      7.262583 
1 1 1 -26 7  9  o 69.88862 3.369998 243.5480       22.98585 232.0000       38.73996 249.8223       28.55548 66.90166 5.978782 70.44794 4.159605 -3.546280      7.283416 
1 1 1 -26 7  10 o 40.42557 3.898210 82.48730       15.23401 85.37894       23.12819 80.27132       20.24652 40.31551 6.047191 39.33828 5.400491 0.9772263      8.107640 
1 1 1 -26 7  11 o 23.35611 5.881413 29.13656       13.43575 36.04442       20.28556 23.73792       17.93317 25.71732 7.558973 21.54655 7.220219 4.170769       10.45321 
1 1 1 -26 7  12 o 13.86898 5.760401 3.333584       12.86889 13.42390       19.97702 -3.823731      16.82494 18.96331 7.418089 13.97955 6.195417 4.983764       9.664949 
1 1 1 -26 7  13 o 25.74483 6.092548 35.59687       15.11248 28.63821       21.09067 42.94000       21.66548 23.38022 7.830029 27.86514 7.691580 -4.484919      10.97587 
1 1 1 -26 7  14 o 50.34131 5.253439 130.7221       25.50603 87.09000       48.93212 147.0000       29.88748 37.48340 11.88549 53.09935 5.847012 -15.61595      13.24584 
1 1 1 -26 7  15 o 47.78356 4.225295 115.8276       19.55904 97.47798       25.85021 140.4000       29.91396 42.86333 6.353354 51.76151 6.016161 -8.898178      8.749817 
1 1 1 -26 7  16 o 27.82128 6.254489 41.79736       16.61720 52.84043       22.32190 28.07000       24.88742 30.86537 7.469824 23.56261 8.469654 7.302759       11.29307 
1 1 1 -26 7  17 o 35.40267 5.357961 65.66037       17.98704 52.49149       23.56037 84.06000       27.84918 30.56395 7.838354 39.00901 7.566668 -8.445063      10.89469 
1 1 1 -26 7  18 o 18.33184 6.828321 14.88723       16.39760 8.722818       21.56316 23.34000       25.25029 18.16703 7.492687 22.34567 8.441794 -4.178638      11.28735 
1 1 1 -26 7  19 o 23.07948 6.750587 29.03319       16.21272 28.97086       20.78639 29.13000       25.90638 23.25356 7.773106 23.80870 8.630200 -0.5551414     11.61471 
1 1 1 -26 7  20 o 41.32792 4.815695 88.43481       19.11632 76.47566       24.12794 108.6000       31.33077 37.38662 6.845407 44.28387 7.495128 -6.897243      10.15069 
1 1 1 -26 7  21 f 12.95796 5.769557 -3.631815      14.76376 8.973276       19.74235 -19.62511      22.23796 17.54757 7.196032 13.65342 6.432416 3.894144       9.651883 
1 1 1 -26 7  22 o 52.90517 3.925976 142.4133       20.18579 127.5006       27.75305 159.1635       29.41327 48.88361 5.920698 54.94178 5.545131 -6.058178      8.111914 
1 1 1 -26 7  23 o 39.48557 4.965740 81.82918       18.76892 54.07808       25.06654 117.2417       28.31604 30.29570 8.237669 46.40974 6.403784 -16.11405      10.43397 
1 1 1 -26 7  24 o 45.98497 4.451749 109.5546       19.78760 79.11906       26.15789 150.2707       30.25484 37.21889 7.440414 52.83687 5.953459 -15.61798      9.529083 
1 1 1 -26 7  25 o 47.14104 4.486763 115.6037       20.45390 110.5220       27.25015 122.1612       30.95512 44.77887 6.398864 46.62082 6.999329 -1.841949      9.483462 
1 1 1 -26 7  26 o 29.92794 6.672474 50.87529       19.04774 52.70549       25.74218 48.66072       28.31664 29.35480 8.483213 27.96285 9.059286 1.391947       12.41111 
1 1 1 -26 7  27 o 33.35399 6.232660 62.00787       19.60025 44.35717       26.39239 83.71443       29.26801 26.83775 8.749842 37.30763 8.235443 -10.46988      12.01592 
1 1 1 -26 7  28 o 17.63946 7.035768 12.69703       18.29155 3.282597       24.14002 25.38999       28.02994 17.21206 7.531685 22.17656 8.753023 -4.964500      11.54737 
1 1 1 -26 7  29 o 32.09040 6.649446 58.88995       20.19948 72.44683       26.92659 41.44177       30.54756 34.52586 8.107006 25.75566 9.366296 8.770197       12.38754 
1 1 1 -26 7  30 o 26.05782 8.163763 41.78220       23.15107 46.19321       26.47503 27.45000       47.72263 27.02016 8.760206 24.32313 10.61768 2.697035       13.76504 
1 1 1 -26 7  31 o 24.63653 8.720543 37.48514       26.28413 52.16000       31.46111 3.572000       47.82678 28.02082 9.562541 21.62816 9.927217 6.392656       13.78375 
1 1 1 -26 7  32 o 19.19976 7.806864 16.27383       22.99545 23.55338       26.47335 -6.100000      46.41163 21.25334 8.468570 20.34708 9.491142 0.9062557      12.72000 
1 1 1 -26 7  33 o 28.29396 8.037845 50.21212       23.30174 72.30000       34.11262 30.89023       31.90530 32.20984 9.880012 23.11146 9.267216 9.098387       13.54607 
1 1 1 -26 7  34 o 28.84165 8.157982 52.88939       24.05616 57.96000       36.07728 48.83008       32.27972 28.37514 10.19773 26.68939 9.639081 1.685751       14.03231 
1 1 1 -26 7  35 o 14.54301 6.619465 -4.716283      20.68913 -39.14687      27.71139 38.64501       31.09834 13.11540 6.421693 24.32173 9.325310 -11.20633      11.32252 
1 1 1 -26 7  36 o 15.15219 6.802620 -0.9280167     20.98193 15.82606       28.76019 -19.99157      30.67846 19.62670 8.403064 15.48977 7.372702 4.136925       11.17892 
1 1 1 -26 7  37 o 40.17427 6.238358 93.15460       23.73615 116.2537       33.08898 68.66783       34.06842 42.72595 8.210240 30.40563 9.942967 12.32032       12.89460 
1 1 1 -26 7  38 o 16.56805 7.276793 5.274006       22.72153 14.94403       32.29420 -4.205431      31.97438 19.82846 8.693031 17.31290 8.007585 2.515558       11.81906 
1 1 1 -26 7  39 o 15.69706 7.062690 -0.1547537     22.75568 -8.496527      32.29948 8.066126       32.06458 16.92064 7.901072 18.84759 8.439563 -1.926952      11.56085 
1 1 1 -26 7  40 o 69.51453 4.993561 264.0272       33.75119 241.7377       41.21585 309.4000       58.80484 63.97719 6.679928 67.88121 9.077627 -3.904022      11.27053 
1 1 1 -26 7  41 f 20.20351 8.015571 23.40632       23.61824 42.97901       33.74608 4.613707       33.06676 24.43860 9.616958 18.41745 8.377332 6.021156       12.75404 
1 1 1 -26 7  42 o 33.10056 8.879872 75.83760       29.36389 36.88000       54.31315 91.92757       34.90491 23.76713 10.78144 35.38322 9.761260 -11.61609      14.54378 
1 1 1 -26 7  43 o 29.82285 9.215808 64.47723       29.61353 18.99000       56.38148 81.80655       34.80026 22.17702 10.38267 32.74254 9.966680 -10.56552      14.39217 
1 1 1 -26 7  44 o 20.76768 8.637655 25.10364       28.99224 25.71060       35.46107 23.88000       50.34985 21.31574 9.230005 22.06841 10.14997 -0.7526665     13.71914 
1 1 1 -26 7  45 o 18.72864 9.141819 -26.47000      54.89703 -26.47000      54.89703 0.000000       0.000000 18.72864 9.141819 ?        ?        ?              ?        
1 1 1 -26 7  46 o 18.46855 8.191434 12.39612       29.47112 26.91010       36.77686 -13.65000      49.26663 21.19674 9.285271 18.62074 8.987642 2.576002       12.92262 
1 1 1 -26 7  47 o 16.03153 7.455926 -3.385168      28.30624 51.94000       48.64162 -31.71461      34.80693 24.02054 10.59478 14.86482 7.260906 9.155717       12.84407 
1 1 1 -26 7  48 o 15.75858 7.253360 -0.4297630     25.78069 -14.88372      36.96325 13.26211       35.97561 16.40298 7.883540 18.94600 8.663768 -2.543024      11.71371 
1 1 1 -26 8  1  o 37.93328 5.027459 74.02898       18.20787 40.66000       27.69564 99.43000       24.16381 27.39595 8.965278 43.73635 5.786197 -16.34040      10.67035 
1 1 1 -26 8  2  o 42.24717 4.727085 91.08904       19.21305 80.34000       30.47482 98.18000       24.75193 38.05854 8.405305 43.36678 5.990894 -5.308243      10.32182 
1 1 1 -26 8  3  o 79.35300 3.315439 313.4679       25.69524 251.9000       43.08410 347.4563       32.01144 69.52013 6.403302 83.26618 3.938793 -13.74606      7.517737 
1 1 1 -26 8  4  o 51.89412 3.570474 134.7777       18.02583 115.4000       31.58044 144.1419       21.95339 46.47067 7.173439 53.44090 4.231345 -6.970222      8.328416 
1 1 1 -26 8  5  o 21.18805 6.117117 23.73317       13.39108 13.59000       23.67261 28.50626       16.23898 20.03760 8.000133 23.10829 6.755226 -3.070690      10.47068 
1 1 1 -26 8  6  o 35.44567 4.493663 64.19031       15.24097 60.80000       26.74753 65.82032       18.54635 33.03888 8.286453 35.54048 5.509461 -2.501602      9.950852 
1 1 1 -26 8  7  o 33.06166 4.517544 56.00528       14.23754 57.64766       22.95716 54.97878       18.14947 32.48288 7.387736 32.24451 5.970274 0.2383690      9.498569 
1 1 1 -26 8  8  o 28.71700 5.107168 43.02591       13.82961 45.11149       22.06920 41.67737       17.74612 28.61466 7.707851 27.77807 6.620846 0.8365879      10.16103 
1 1 1 -26 8  9  o 26.66988 5.433426 37.52486       13.70194 42.78381       21.63506 34.00285       17.70531 27.87873 7.682612 25.05147 6.967813 2.827253       10.37174 
1 1 1 -26 8  10 o 21.09801 6.117961 23.60381       13.36769 9.276920       21.03363 33.31169       17.31412 18.28384 7.454455 24.79753 6.887868 -6.513695      10.14946 
1 1 1 -26 8  11 o 19.70348 6.202024 20.14050       13.34611 17.77873       20.53799 21.86676       17.55873 20.22172 7.619153 20.86260 7.143241 -0.6408844     10.44401 
1 1 1 -26 8  12 o 20.28433 6.506938 21.32892       14.63228 22.19176       21.03511 20.52000       20.36737 21.50376 7.779119 20.91916 7.641811 0.5846004      10.90468 
1 1 1 -26 8  13 o 58.92445 4.044933 175.1608       23.18839 113.0000       49.55027 192.5915       26.23891 42.82716 11.55524 61.64463 4.377018 -18.81747      12.35645 
1 1 1 -26 8  14 o 22.62970 6.637453 27.52409       15.65504 19.55857       22.22378 35.37000       22.05631 20.98852 7.921811 25.43634 7.968308 -4.447823      11.23606 
1 1 1 -26 8  15 o 54.72247 4.042289 151.3773       21.49921 145.1423       28.73965 159.3000       32.39677 52.79140 5.649498 55.05458 6.114787 -2.263180      8.325109 
1 1 1 -26 8  16 o 16.30785 6.552776 8.130223       15.98707 25.30383       21.64137 -12.50000      23.71953 22.34960 7.912782 15.24949 6.996347 7.100113       10.56224 
1 1 1 -26 8  17 o 19.92091 6.871722 19.95859       16.25832 32.51913       21.70927 3.916000       24.53456 24.42789 7.933645 18.10148 7.755881 6.326416       11.09488 
1 1 1 -26 8  18 o 20.26859 6.853075 21.10816       16.15439 14.19640       20.98587 31.16000       25.30785 19.24245 7.580280 24.27117 8.560148 -5.028723      11.43402 
1 1 1 -26 8  19 o 24.14848 6.714025 32.06167       16.44254 32.87343       21.24811 30.85000       25.95973 24.41874 7.841951 24.18343 8.655310 0.2353134      11.67949 
1 1 1 -26 8  20 o 14.68787 6.291211 1.714246       16.13334 7.023320       20.80378 -6.296000      25.55382 17.45099 7.292043 16.61863 7.480235 0.8323612      10.44643 
1 1 1 -26 8  21 o 63.37301 3.619165 202.8161       22.35679 180.1646       31.13188 226.9375       32.12610 58.55230 5.496203 66.14252 4.999175 -7.590214      7.429670 
1 1 1 -26 8  22 o 52.67384 4.504321 143.1058       23.00098 119.9150       28.62047 185.4000       38.65089 47.00531 6.385435 58.09757 6.933339 -11.09226      9.425761 
1 1 1 -26 8  23 o 21.21505 7.068367 24.48595       17.19051 20.57519       22.66755 29.77987       26.37316 20.78164 7.963162 23.49686 8.676913 -2.715218      11.77713 
1 1 1 -26 8  24 o 33.71054 5.788942 61.80589       18.41376 54.07933       24.30750 72.21074       28.20754 30.16037 8.073969 34.72642 8.392561 -4.566050      11.64577 
1 1 1 -26 8  25 o 24.27152 7.196628 34.02234       18.32109 7.442450       23.95145 71.50768       28.44370 18.03618 7.693829 34.30009 8.512308 -16.26391      11.47407 
1 1 1 -26 8  26 o 54.85104 4.095164 155.1121       21.82814 123.8055       28.96030 196.2916       33.21441 47.27770 6.424115 60.37496 5.687352 -13.09726      8.579931 
1 1 1 -26 8  27 o 38.22146 5.475422 79.07021       19.90039 80.07241       26.83800 77.84617       29.65991 36.84855 7.689814 35.52826 8.618161 1.320293       11.55015 
1 1 1 -26 8  28 o 51.37092 4.315296 137.4899       21.49833 93.27219       28.14633 199.4116       33.30770 39.92126 7.477684 60.64793 5.676738 -20.72667      9.388350 
1 1 1 -26 8  29 o 40.04480 6.378885 90.08212       24.16525 86.69624       28.25698 99.30000       46.62355 38.05522 7.846656 36.40946 11.60835 1.645763       14.01156 
1 1 1 -26 8  30 o 19.43281 7.763030 17.30234       22.30282 -7.797207      25.41056 101.5000       46.54053 15.79655 7.245150 36.69573 11.58582 -20.89918      13.66468 
1 1 1 -26 8  31 o 46.88078 8.615012 136.3308       38.07638 149.6000       54.86311 124.0000       52.88749 43.90794 12.28506 39.40372 12.33818 4.504223       17.41130 
1 1 1 -26 8  32 o 26.78504 8.168688 45.17601       23.36215 47.48000       32.67088 42.76514       33.41999 26.57937 9.683283 25.55261 9.698535 1.026760       13.70502 
1 1 1 -26 8  33 o 18.24633 7.940104 8.195950       26.51074 5.996000       33.04368 12.17000       44.41184 19.20606 8.586123 21.65574 9.793857 -2.449677      13.02464 
1 1 1 -26 8  34 o 29.85875 7.526249 54.72512       21.98627 62.18113       30.18183 46.29517       32.09262 30.19760 9.298951 26.09723 9.582911 4.100370       13.35300 
1 1 1 -26 8  35 o 24.15503 7.878422 36.82923       21.39609 34.11064       29.09008 40.03320       31.58037 23.25999 8.992725 24.52199 9.398510 -1.261997      13.00773 
1 1 1 -26 8  36 o 32.46074 7.287917 64.69415       22.58751 58.61337       31.04483 71.53385       32.92515 28.57524 9.498224 31.40916 9.719401 -2.833921      13.58981 
1 1 1 -26 8  37 o 19.87405 7.762456 22.01921       21.84734 21.66457       30.06067 22.41624       31.80683 20.64125 8.703955 20.94439 8.897895 -0.3031387     12.44714 
1 1 1 -26 8  38 f 38.16058 6.594162 85.94605       23.74039 85.98990       32.90168 85.89843       34.28926 34.93391 9.411825 34.44576 9.738616 0.4881554      13.54338 
1 1 1 -26 8  39 o 20.06441 7.863100 22.87059       22.47986 -3.357661      30.68165 53.26899       33.03082 17.09174 7.883489 26.75715 9.738215 -9.665413      12.52925 
1 1 1 -26 8  40 o 35.47316 7.045062 76.64241       23.59919 78.04784       32.56155 75.08736       34.25110 32.78500 9.560446 31.54859 9.936275 1.236408       13.78883 
1 1 1 -26 8  41 o 19.95546 7.886844 22.66555       22.78434 16.70291       31.55567 29.15977       32.93224 19.81672 8.642496 21.92123 9.168356 -2.104511      12.59966 
1 1 1 -26 8  42 o 32.65604 8.062860 69.85471       25.61629 36.09874       36.61107 102.2301       35.85457 23.15371 9.674138 37.57248 9.687142 -14.41876      13.69050 
1 1 1 -26 8  43 o 18.26824 8.502172 -1.008622      36.90952 -9.200000      55.72700 5.393000       49.26429 20.01774 9.635947 20.41049 9.602841 -0.3927498     13.60390 
1 1 1 -26 8  44 o 18.02158 8.378038 -1.229373      35.68402 -46.53000      54.23112 33.36000       47.38794 17.69501 8.726806 22.87849 10.25103 -5.183481      13.46257 
1 1 1 -26 8  45 o 14.01590 6.774012 -25.20730      28.21572 -5.770712      35.42770 -58.92000      46.65839 17.36907 8.162973 15.76178 7.830004 1.607283       11.31119 
1 1 1 -26 8  46 o 17.01605 7.988954 -4.958546      33.78398 15.53000       47.40193 -26.11000      48.16267 20.57735 9.596332 17.61800 8.591590 2.959349       12.88041 
1 1 1 -26 8  47 o 24.38569 8.709270 44.71230       26.27013 58.82131       37.71036 31.40962       36.61692 25.70774 10.15079 21.38259 9.317863 4.325146       13.77901 
1 1 1 -26 9  1  o 46.42332 4.524274 109.5438       20.29795 121.4000       32.68378 102.1000       25.89756 47.60483 7.242142 44.11716 6.165278 3.487671       9.511007 
1 1 1 -26 9  2  o 40.72892 4.920799 85.12329       19.22035 63.54000       29.52331 101.0000       25.32132 33.54541 8.860843 43.92750 6.049497 -10.38208      10.72898 
1 1 1 -26 9  3  o 35.58297 5.330139 65.76308       17.99392 61.93000       28.02994 68.45000       23.46798 33.22169 8.565006 35.64125 6.976773 -2.419552      11.04693 
1 1 1 -26 9  4  o 29.58859 6.085687 46.61369       17.03674 31.31000       26.44626 57.47000       22.27446 24.78276 8.749678 32.50092 7.192240 -7.718161      11.32630 
1 1 1 -26 9  5  o 13.89536 5.926434 1.064866       14.20698 3.835000       22.14344 -0.8732000     18.52162 17.51220 7.431368 15.27916 6.642957 2.233041       9.967653 
1 1 1 -26 9  6  o 21.20316 5.960891 23.85876       12.88406 21.28151       21.24807 25.35736       16.20254 21.35020 7.804336 21.93439 6.823209 -0.5841827     10.36648 
1 1 1 -26 9  7  o 22.53626 5.906833 27.10354       13.18565 6.599174       21.01624 40.41439       16.93302 17.70127 7.357537 27.39139 6.426971 -9.690121      9.769304 
1 1 1 -26 9  8  o 11.61957 5.203364 -4.500190      12.19088 13.25962       19.26831 -16.35472      15.74225 18.74277 7.298690 11.40281 5.384263 7.339960       9.069794 
1 1 1 -26 9  9  o 16.41286 6.129135 11.22580       13.22805 25.20349       21.93949 3.242273       16.58083 22.50440 7.967143 15.37485 6.472693 7.129557       10.26504 
1 1 1 -26 9  10 o 41.53590 4.494054 88.04263       17.98058 66.04717       25.00333 111.6000       25.87586 34.62593 7.587263 46.20876 5.851930 -11.58282      9.581840 
1 1 1 -26 9  11 o 20.00240 6.901532 19.84330       16.40005 -37.24000      46.13161 28.10143       17.54628 19.43366 9.188562 22.92641 7.095393 -3.492743      11.60923 
1 1 1 -26 9  12 o 60.01233 3.397322 180.1090       19.87495 185.7411       30.73687 176.0621       26.05472 60.05704 5.282420 58.83319 4.559939 1.223846       6.978324 
1 1 1 -26 9  13 o 50.58828 4.120109 129.5423       20.22512 95.88809       27.06533 172.1000       30.43570 42.28090 6.767957 57.67578 5.456036 -15.39488      8.693306 
1 1 1 -26 9  14 o 39.10292 4.811392 78.81005       18.02779 59.40778       24.95726 99.98000       26.06937 32.55513 7.910765 43.37742 6.326038 -10.82229      10.12911 
1 1 1 -26 9  15 o 16.97745 6.572108 11.03037       15.55178 -2.823300      21.72530 25.59000       22.27197 16.01058 7.070401 22.50857 8.021335 -6.497990      10.69263 
1 1 1 -26 9  16 o 22.04718 6.888024 26.06692       16.49269 24.78226       22.60194 27.53000       24.12041 22.30274 8.064253 23.23334 8.339742 -0.9306049     11.60101 
1 1 1 -26 9  17 o 16.71878 6.630576 9.586237       16.15583 6.160754       21.66196 13.88000       24.25246 17.63419 7.409537 19.96116 8.053221 -2.326967      10.94329 
1 1 1 -26 9  18 o 65.30041 4.214212 216.6798       26.79251 243.5000       38.54208 191.6000       37.27055 68.11992 5.836552 59.93164 6.455032 8.188278       8.702457 
1 1 1 -26 9  19 o 12.98021 5.865184 -6.248919      15.88666 -6.211144      20.86742 -6.301000      24.50194 15.02055 6.760378 16.28400 7.327563 -1.263453      9.969749 
1 1 1 -26 9  20 o 23.10716 7.142185 29.52665       17.78510 31.93065       23.14431 26.06000       27.79280 24.06122 8.201985 23.06249 8.822461 0.9987335      12.04609 
1 1 1 -26 9  21 o 16.52436 6.826397 7.252739       17.93818 0.2772296      22.71544 18.81000       29.23887 16.64780 7.294868 21.67978 8.807607 -5.031981      11.43630 
1 1 1 -26 9  22 o 20.23694 7.164433 21.22520       17.74129 12.01647       23.77335 32.79975       26.65278 19.09500 7.870547 24.28712 8.760435 -5.192120      11.77670 
1 1 1 -26 9  23 o 43.35654 4.833045 98.55128       20.16243 98.99297       27.62563 98.04783       29.49393 42.04903 6.954889 41.38876 7.558649 0.6602707      10.27150 
1 1 1 -26 9  24 o 31.76341 6.194923 56.00739       18.56856 50.16348       24.57067 63.78925       28.35353 28.82161 8.275304 32.18197 8.765536 -3.360357      12.05468 
1 1 1 -26 9  25 o 41.99967 4.978605 93.47203       20.06964 80.85107       26.61230 110.1165       30.56121 37.26263 7.555176 43.77350 7.395895 -6.510872      10.57260 
1 1 1 -26 9  26 o 18.99612 7.193491 17.56338       18.36022 16.27564       24.15601 19.32502       28.25332 19.74714 8.011751 21.07026 8.620904 -1.323116      11.76895 
1 1 1 -26 9  27 o 36.11362 6.737599 74.24596       22.94092 106.3155       26.88279 -11.69000      44.00638 43.54670 6.506051 19.83191 9.247877 23.71478       11.30716 
1 1 1 -26 9  28 o 52.28396 5.075975 145.7787       25.65079 166.3766       30.90808 100.2000       45.97710 55.20362 5.806885 36.83405 11.49949 18.36957       12.88248 
1 1 1 -26 9  29 o 14.26837 6.538211 -7.812805      20.62941 -34.42127      23.58374 78.88000       42.56908 12.32589 6.011113 32.76459 11.12429 -20.43869      12.64450 
1 1 1 -26 9  30 o 31.22771 6.876604 56.81470       20.44982 59.07032       26.22649 53.31630       32.66198 30.60857 8.467856 28.17986 9.738910 2.428713       12.90546 
1 1 1 -26 9  31 o 11.81006 5.722512 -27.00702      20.46333 -40.66000      27.49026 -10.04050      30.64513 13.05452 6.392749 16.83523 7.805016 -3.780712      10.08888 
1 1 1 -26 9  32 o 46.02388 5.866107 117.7336       25.82672 139.7000       38.88943 100.4015       34.54440 46.99812 8.776333 39.19981 9.167498 7.798313       12.69122 
1 1 1 -26 9  33 o 17.97691 7.625817 10.70582       23.30313 35.03000       35.16904 -8.331977      31.11356 23.87905 9.674761 16.99695 7.874590 6.882099       12.47438 
1 1 1 -26 9  34 o 25.01564 8.422256 40.42529       24.39929 49.29776       29.20260 19.91000       44.40564 26.88991 9.211967 22.29316 9.960711 4.596754       13.56746 
1 1 1 -26 9  35 o 14.14785 6.508359 -6.995871      20.71648 -12.85975      27.90874 0.2001050      30.91667 15.51878 7.278086 17.76812 8.089145 -2.249346      10.88140 
1 1 1 -26 9  36 o 39.96350 6.179716 91.94695       23.39422 84.33727       32.65018 99.97538       33.53646 34.75174 9.381421 38.48912 9.054169 -3.737385      13.03798 
1 1 1 -26 9  37 f 37.70463 6.679353 84.41650       23.74884 77.57638       33.19149 91.59171       33.99477 32.61150 9.690754 35.93726 9.515503 -3.325760      13.58144 
1 1 1 -26 9  38 o 19.26635 7.721187 19.37120       22.13531 2.499222       30.46168 38.24768       32.22043 17.81905 8.079650 23.77838 9.384758 -5.959335      12.38364 
1 1 1 -26 9  39 o 14.54033 6.702610 -6.376164      22.13054 -3.962609      30.29801 -9.136656      32.40251 16.89783 7.808271 16.77449 7.859041 0.1233387      11.07852 
1 1 1 -26 9  40 o 29.76689 7.943047 57.92607       23.57249 43.36303       32.28568 74.55251       34.49717 24.56885 9.480457 31.24402 9.987850 -6.675175      13.77085 
1 1 1 -26 9  41 o 19.66769 7.912696 21.22527       23.34245 17.63645       32.30092 25.14809       33.77053 20.02838 8.739218 21.30813 9.113895 -1.279745      12.62684 
1 1 1 -26 9  42 f 14.55894 6.915313 -16.74687      26.71157 -47.24226      32.14449 51.30000       48.01684 13.54601 6.687753 25.24168 10.83337 -11.69568      12.73138 
1 1 1 -26 9  43 o 23.42375 9.677629 39.19473       36.05744 -22.88000      55.22542 85.32000       47.60484 19.08682 9.283619 30.04322 11.53297 -10.95640      14.80524 
1 1 1 -26 9  44 o 16.02963 7.473958 -6.989815      28.72968 -34.56000      55.32916 3.187766       33.61681 18.42145 9.030944 18.13711 8.324091 0.2843380      12.28204 
1 1 1 -26 9  45 o 19.25997 8.203967 18.87559       27.16341 -6.763000      44.15919 34.48170       34.45255 18.53185 8.827635 22.31303 9.357979 -3.781181      12.86464 
1 1 1 -26 9  46 o 24.90757 9.110315 47.66256       28.96112 30.91042       35.52996 80.83000       49.99374 21.49532 9.273150 27.77971 11.42803 -6.284393      14.71704 
1 1 1 -26 9  47 o 16.49738 7.627639 0.2433293      28.97369 -18.09961      35.97994 34.08000       48.86747 16.01520 7.717689 21.90476 10.04694 -5.889563      12.66900 
1 1 1 -26 10 1  o 21.31274 6.994930 23.42284       16.85441 -3.801000      27.16109 40.47000       21.49308 17.80810 7.882938 27.13609 7.723151 -9.327995      11.03575 
1 1 1 -26 10 2  o 43.11312 4.828529 95.20622       20.02691 78.39000       31.11506 107.1000       26.16776 37.31945 8.681926 45.20659 6.066694 -7.887138      10.59153 
1 1 1 -26 10 3  o 28.43337 6.303241 43.39054       17.08204 43.36000       27.38437 43.41000       21.85540 27.99258 8.893267 28.05923 7.717422 -0.6665230E-01 11.77492 
1 1 1 -26 10 4  o 54.22215 3.940790 148.0080       20.77264 130.3658       28.96153 166.7000       29.81078 49.93774 6.048073 56.88078 5.419716 -6.943035      8.121116 
1 1 1 -26 10 5  o 18.08837 6.495575 15.07637       14.63404 3.179004       22.07774 24.40000       19.54436 17.33605 7.390705 21.95052 7.535675 -4.614471      10.55504 
1 1 1 -26 10 6  o 20.30744 6.544385 21.30581       14.78942 36.42199       21.41731 7.528000       20.44720 25.81688 7.810629 17.70105 7.297933 8.115837       10.68952 
1 1 1 -26 10 7  o 16.20083 6.345285 9.138994       14.63172 13.68866       21.28230 5.061000       20.14894 19.35896 7.631338 17.05891 7.155568 2.300051       10.46133 
1 1 1 -26 10 8  o 48.67366 4.107708 119.8322       19.38790 120.3086       26.68999 119.3000       28.21040 48.02333 5.794945 47.61248 6.200303 0.4108505      8.486763 
1 1 1 -26 10 9  o 59.86812 3.810409 180.1724       22.21333 168.4734       30.23162 193.9000       32.74783 57.08947 5.477131 61.25112 5.521341 -4.161648      7.777157 
1 1 1 -26 10 10 o 22.75772 6.916047 27.75463       16.76627 -24.24000      46.47551 35.53384       17.97681 20.61630 9.576457 25.51359 6.992030 -4.897295      11.85736 
1 1 1 -26 10 11 o 29.58512 6.022177 46.79257       16.84579 30.25393       24.59390 61.41000       23.12133 24.14674 8.444637 33.45340 7.269183 -9.306660      11.14239 
1 1 1 -26 10 12 o 42.70830 4.624140 93.43224       19.02279 70.79376       26.69157 116.8000       27.11809 35.65095 7.860645 47.12721 6.015652 -11.47626      9.898375 
1 1 1 -26 10 13 o 23.32432 6.845461 29.50759       16.64718 12.91653       23.81533 45.36000       23.27916 19.73156 7.973274 28.41769 8.020709 -8.686129      11.30950 
1 1 1 -26 10 14 f 19.98058 6.825286 20.20869       16.02836 11.14361       22.77801 29.10000       22.55863 19.04578 7.760300 23.50726 8.094993 -4.461473      11.21388 
1 1 1 -26 10 15 o 40.50233 4.792150 84.66145       18.63079 65.61461       25.46489 106.6000       27.32967 34.19897 7.782781 44.65353 6.438555 -10.45457      10.10083 
1 1 1 -26 10 16 o 16.04171 6.488805 7.526427       15.79082 7.035127       22.15188 8.034000       22.51576 17.95603 7.515365 18.26743 7.606030 -0.3113995     10.69263 
1 1 1 -26 10 17 o 21.25343 6.948812 23.94031       16.63989 37.26216       23.00544 9.324000       24.09723 25.78906 8.146101 18.93072 7.874301 6.858337       11.32977 
1 1 1 -26 10 18 o 56.87764 4.167550 164.7777       23.04111 144.2378       30.19720 193.4000       35.64676 52.09865 6.032897 60.33559 6.120464 -8.236938      8.593947 
1 1 1 -26 10 19 o 32.19928 6.341058 56.65658       19.27395 17.37437       24.65421 118.4000       30.90925 20.60656 8.184962 46.40226 7.024760 -25.79570      10.78614 
1 1 1 -26 10 20 o 59.14697 4.227642 179.0230       24.31440 158.9756       30.88504 211.7000       39.43124 54.63776 5.866746 62.53191 6.538716 -7.894150      8.784846 
1 1 1 -26 10 21 o 43.15364 5.265743 98.40208       21.78239 72.57774       27.51021 141.8000       35.66266 35.21972 8.142739 50.18340 7.489057 -14.96368      11.06301 
1 1 1 -26 10 22 o 52.71563 4.202438 142.9446       21.50499 135.8840       29.82005 150.5957       31.04204 49.99021 6.228966 52.73403 6.127843 -2.743820      8.737877 
1 1 1 -26 10 23 o 46.30391 4.668605 112.1176       20.87116 129.2271       28.89619 93.45642       30.17809 48.60296 6.216049 39.88752 8.007956 8.715443       10.13739 
1 1 1 -26 10 24 o 24.47812 7.216931 34.74775       18.46736 34.64335       24.56410 34.88347       28.00682 24.31008 8.443470 24.48184 8.958266 -0.1717548     12.31027 
1 1 1 -26 10 25 o 53.70150 4.271957 149.5298       22.27039 123.2742       30.04141 181.5629       33.18251 46.84971 6.745119 57.74301 5.956254 -10.89330      8.998533 
1 1 1 -26 10 26 o 48.93290 4.576071 125.5757       21.66373 115.6345       29.09023 137.9538       32.46037 45.23191 6.779045 49.32946 6.912084 -4.097557      9.681547 
1 1 1 -26 10 27 o 17.16490 7.194041 8.633842       20.34022 2.499504       23.65973 26.01000       39.82014 16.90315 7.424689 23.50120 9.968841 -6.598043      12.42996 
1 1 1 -26 10 28 o 32.69309 7.159423 62.67181       22.27480 49.16078       26.02703 99.66000       43.06375 27.88640 8.643518 37.20960 11.03354 -9.323200      14.01604 
1 1 1 -26 10 29 o 34.73965 6.296410 68.16949       20.62224 92.08179       27.75084 38.67884       30.81823 39.50914 7.448951 24.95014 9.347507 14.55899       11.95252 
1 1 1 -26 10 30 o 22.37937 7.840348 29.48244       21.20582 -11.67000      29.27825 74.89201       30.75537 16.33570 7.592451 33.90793 9.084016 -17.57223      11.83912 
1 1 1 -26 10 31 o 21.88654 7.901113 28.06290       21.68592 8.457000       30.71163 47.55910       30.62559 19.18990 8.443087 26.67983 9.416024 -7.489929      12.64703 
1 1 1 -26 10 32 o 12.35070 5.886170 -18.75282      19.68363 -11.66496      25.87498 -28.48857      30.32543 15.26005 7.107703 14.80676 7.122617 0.4532919      10.06236 
1 1 1 -26 10 33 o 27.29513 7.785635 46.61520       21.81836 49.71622       29.15804 42.66970       32.88949 27.10980 9.206682 25.27266 9.614443 1.837133       13.31167 
1 1 1 -26 10 34 o 26.53210 7.831184 44.67910       21.73476 22.87852       29.42635 70.85018       32.24134 21.04433 8.723003 31.69221 9.582132 -10.64789      12.95793 
1 1 1 -26 10 35 o 18.63511 7.575995 16.58423       21.65121 0.1251754      29.06887 37.09215       32.44790 17.29612 7.862322 23.67674 9.394638 -6.380621      12.25052 
1 1 1 -26 10 36 o 18.55907 7.642439 15.97378       22.38738 42.78579       30.86170 -13.80583      32.52481 24.75951 9.337416 16.42611 7.751061 8.333399       12.13533 
1 1 1 -26 10 37 o 24.97158 8.102539 41.03575       22.64644 28.18589       31.80995 54.24223       32.24835 21.85713 9.065511 27.12415 9.653582 -5.267027      13.24293 
1 1 1 -26 10 38 o 38.33525 6.611032 86.97035       23.91118 97.10867       33.32631 76.21410       34.32690 37.57625 9.147930 31.91996 9.931812 5.656288       13.50280 
1 1 1 -26 10 39 o 19.81433 7.860785 21.94899       22.71385 36.85823       31.81874 6.457043       32.43459 23.32773 9.287832 18.56418 8.385152 4.763557       12.51298 
1 1 1 -26 10 40 o 24.38770 8.247448 39.93272       23.39698 30.60985       32.62498 49.80468       33.57198 22.12175 9.178586 25.75129 9.732721 -3.629538      13.37805 
1 1 1 -26 10 41 o 39.45839 7.918339 99.77590       29.51868 124.4166       35.95544 48.83000       51.70030 42.91953 8.852635 24.90169 10.95542 18.01784       14.08511 
1 1 1 -26 10 42 o 18.99384 8.626709 8.205636       34.90379 39.98000       54.96161 -13.27000      45.18497 23.84191 10.82730 18.47197 8.834898 5.369938       13.97447 
1 1 1 -26 10 43 o 14.10277 6.634721 -12.03043      23.51010 -8.430210      33.11377 -15.68976      33.38449 16.79177 7.891733 16.15462 7.689672 0.6371479      11.01864 
1 1 1 -26 10 44 o 17.60419 8.169545 -0.8501598     33.70004 0.000000       0.000000 -0.8501598     33.70004 ?        ?        17.60419 8.169545 ?              ?        
1 1 1 -26 10 45 o 13.89242 6.754707 -28.79342      29.16531 -29.16000      55.78323 -28.65552      34.21410 18.43032 9.041977 15.08045 7.328612 3.349864       11.63898 
1 1 1 -26 10 46 o 12.27057 6.013849 -31.76552      24.48261 -26.88868      34.98142 -36.44782      34.27663 15.22501 7.401489 14.41183 7.074008 0.8131781      10.23834 
1 1 1 -26 10 47 o 17.78792 7.972804 10.91471       28.69140 21.76103       35.80306 -8.552000      47.96507 19.94114 8.924443 18.33989 8.856043 1.601248       12.57280 
1 1 1 -26 11 1  f 67.16629 4.188096 227.7084       27.39730 165.0000       40.31934 281.5000       37.34290 55.17799 7.672471 74.12767 5.179194 -18.94968      9.256936 
1 1 1 -26 11 2  o 35.61090 5.522313 66.33824       18.62615 58.07000       30.13465 71.45000       23.69432 31.85787 9.169925 36.37430 6.907462 -4.516428      11.48044 
1 1 1 -26 11 3  o 58.78624 3.826342 173.7357       21.89774 140.9153       29.32537 215.1000       32.92188 51.98513 5.865416 64.71539 5.242054 -12.73026      7.866526 
1 1 1 -26 11 4  o 40.70758 4.561340 84.71824       17.86279 56.65374       24.97705 114.1000       25.55651 31.84466 8.019057 46.79995 5.696096 -14.95529      9.836198 
1 1 1 -26 11 5  o 18.41944 6.581306 15.88768       15.00275 10.71110       22.13032 20.29000       20.40833 18.88306 7.665792 20.85579 7.644555 -1.972736      10.82606 
1 1 1 -26 11 6  f 24.85135 6.442189 33.40785       15.79896 41.44444       22.82029 26.01000       21.89466 27.33566 8.012639 22.69003 7.965343 4.645626       11.29819 
1 1 1 -26 11 7  o 44.59831 4.429696 101.3189       19.08210 85.87362       26.71807 117.4000       27.26249 39.82137 7.115781 47.29527 6.025637 -7.473907      9.324304 
1 1 1 -26 11 8  o 44.13242 5.586362 101.4987       23.59218 84.71000       48.50940 106.7000       27.00049 36.95270 11.84707 44.89943 6.318141 -7.946728      13.42654 
1 1 1 -26 11 9  o 23.56983 6.703119 30.06700       16.19668 54.80926       23.59269 8.011000       22.27517 31.37564 7.732575 18.31287 7.589983 13.06277       10.83515 
1 1 1 -26 11 10 o 36.20839 5.157698 68.17448       17.76356 54.99870       25.08367 81.43000       25.15944 31.25359 8.125161 38.82558 6.871698 -7.571993      10.64136 
1 1 1 -26 11 11 o 13.27294 5.915010 -4.320811      15.55284 -4.234955      24.34674 -4.380000      20.21509 16.70718 7.425769 15.20178 6.760970 1.505392       10.04255 
1 1 1 -26 11 12 o 62.14306 3.901139 194.8007       23.60987 156.2119       31.34546 245.4000       35.89355 54.53524 5.969482 68.89566 5.364792 -14.36042      8.025940 
1 1 1 -26 11 13 o 24.92268 6.772994 34.05560       16.95067 26.99798       24.39878 40.64000       23.56660 23.13202 8.376666 26.90496 8.204175 -3.772942      11.72506 
1 1 1 -26 11 14 o 18.56924 6.786190 15.95061       16.06429 1.212143       22.80387 30.47000       22.63375 17.05169 7.392585 23.85511 8.111377 -6.803419      10.97473 
1 1 1 -26 11 15 o 34.45454 5.578074 62.79108       18.16948 41.65543       24.83332 87.14000       26.65427 27.12065 8.448922 39.89758 7.084692 -12.77693      11.02620 
1 1 1 -26 11 16 o 47.69931 4.450618 116.5767       20.53982 108.5544       28.01605 125.9000       30.20240 44.87159 6.573568 48.39235 6.543677 -3.520763      9.275317 
1 1 1 -26 11 17 o 23.73239 7.023804 31.17580       17.46476 8.544506       23.84634 57.36000       25.64996 18.62849 7.797210 31.50089 8.229716 -12.87240      11.33687 
1 1 1 -26 11 18 o 15.65122 6.578263 4.549842       17.08195 -9.996801      23.26959 21.55000       25.15555 15.27093 6.977369 21.63170 8.362681 -6.360765      10.89119 
1 1 1 -26 11 19 o 24.02379 7.356326 32.44658       18.92167 39.75665       25.00917 22.66000       28.93704 26.21238 8.515453 22.39776 8.876742 3.814621       12.30079 
1 1 1 -26 11 20 o 10.53152 5.166515 -32.80807      18.20484 -54.95852      24.16963 -3.764000      27.67626 11.18614 5.569898 17.44317 7.823438 -6.257033      9.603642 
1 1 1 -26 11 21 o 15.49524 6.697362 1.956328       18.60223 17.28806       24.00729 -21.08000      29.42756 20.20499 8.059975 15.77628 7.422299 4.428707       10.95690 
1 1 1 -26 11 22 o 37.27144 5.522190 74.78979       19.53763 76.58462       27.11715 72.85236       28.17391 36.11314 7.892309 34.83352 8.368057 1.279617       11.50274 
1 1 1 -26 11 23 o 29.93762 6.612646 50.79735       18.85973 50.41780       26.03133 51.21669       27.36174 28.65357 8.598228 28.73410 8.854862 -0.8052826E-01 12.34253 
1 1 1 -26 11 24 o 20.92691 7.288718 24.05542       18.31112 29.01005       24.48492 17.76782       27.58263 22.78487 8.369734 20.69050 8.497604 2.094364       11.92735 
1 1 1 -26 11 25 o 44.39108 4.837626 104.2562       20.68038 113.6083       27.86507 92.78886       30.85603 45.07702 6.503204 39.16623 8.306487 5.910793       10.54938 
1 1 1 -26 11 26 o 21.25891 7.842462 24.73775       21.53503 20.62057       24.89424 36.98000       42.92693 20.67127 8.220146 25.37484 10.52842 -4.703571      13.35733 
1 1 1 -26 11 27 o 48.01127 5.211207 123.7777       24.09763 88.58412       27.71863 232.7000       48.76392 38.69495 7.589605 62.30180 8.194851 -23.60686      11.16950 
1 1 1 -26 11 28 o 30.15481 6.945943 53.15410       20.07920 47.23956       26.94442 60.54067       30.11134 27.20383 8.838878 30.35555 9.277054 -3.151718      12.81364 
1 1 1 -26 11 29 o 25.70492 7.981820 40.72924       22.18324 33.39000       32.84132 46.88762       30.08348 23.85002 9.455255 26.76490 9.341072 -2.914879      13.29125 
1 1 1 -26 11 30 o 16.83206 7.186811 7.189259       20.93309 30.23000       29.73410 -15.45220      29.47533 22.87225 9.019029 15.90070 7.464304 6.971546       11.70721 
1 1 1 -26 11 31 o 24.22445 7.630544 35.95983       20.19875 66.53577       26.76655 -4.482139      30.78355 32.32552 8.388021 17.43252 7.987642 14.89300       11.58280 
1 1 1 -26 11 32 o 24.61914 7.854247 37.86753       21.34119 8.961390       28.33965 75.73233       32.43525 18.67559 8.166605 33.20113 9.500018 -14.52554      12.52772 
1 1 1 -26 11 33 o 12.75444 6.073199 -18.55267      20.85935 -25.72944      27.97551 -9.566911      31.30335 14.30495 6.870846 16.80327 7.823572 -2.498321      10.41234 
1 1 1 -26 11 34 f 24.00575 7.940953 36.79566       21.70642 48.14834       29.77309 23.91475       31.71378 26.27057 9.282928 21.33650 8.965260 4.934069       12.90537 
1 1 1 -26 11 35 o 25.64933 7.930253 42.61067       21.92457 32.69810       29.93135 54.08669       32.20543 22.72659 9.021256 27.24216 9.652014 -4.515574      13.21153 
1 1 1 -26 11 36 o 32.45659 7.357878 65.50746       22.83435 63.19018       31.35600 68.12390       33.31857 29.39028 9.533975 30.17140 9.830767 -0.7811241     13.69455 
1 1 1 -26 11 37 o 17.83112 7.675928 10.71716       24.24383 3.178127       29.41693 26.68000       42.80501 17.68159 7.986119 22.38826 9.903917 -4.706675      12.72264 
1 1 1 -26 11 38 o 28.57611 7.879748 53.28419       22.75156 51.60429       31.75760 55.05553       32.61049 26.40626 9.557541 27.07606 9.699677 -0.6697998     13.61728 
1 1 1 -26 11 39 o 16.14707 7.150830 3.904490       22.37448 13.73315       31.40110 -6.232052      31.88912 19.35227 8.525069 16.93401 7.888467 2.418266       11.61485 
1 1 1 -26 11 40 o 38.27711 7.878946 93.77058       28.53534 52.55569       34.11898 189.7000       52.05289 26.24388 9.834702 49.58767 11.01104 -23.34379      14.76362 
1 1 1 -26 11 41 o 20.89141 9.113523 22.09467       35.10835 2.692000       54.34819 35.99000       45.99268 20.79473 9.873427 23.30427 10.28955 -2.509539      14.26041 
1 1 1 -26 11 42 o 25.00288 8.410048 43.27738       24.32884 60.13277       35.04916 27.60451       33.79734 27.43011 10.02393 21.46125 9.146665 5.968861       13.56985 
1 1 1 -26 11 43 f 25.08915 8.856968 45.13710       27.09829 99.92000       45.01933 14.01107       33.93427 33.26561 11.43637 19.49965 8.710353 13.76596       14.37571 
1 1 1 -26 11 44 o 19.13546 7.973110 19.57311       24.76697 43.02164       35.72253 -2.131226      34.36827 23.72517 9.698845 17.50021 8.164581 6.224968       12.67785 
1 1 1 -26 11 45 o 20.37277 8.642776 25.10970       29.93658 3.232000       55.34949 34.15606       35.59177 20.15385 9.676062 22.01602 9.384822 -1.862167      13.47965 
1 1 1 -26 11 46 o 19.08630 8.394060 18.45566       30.32726 -2.065000      56.87490 26.60841       35.84901 19.58641 9.502202 20.60724 9.092120 -1.020832      13.15137 
1 1 1 -26 12 1  o 26.62610 5.432111 37.52744       13.67731 10.44950       24.37588 49.96972       16.52352 19.42523 7.984290 30.72590 5.703983 -11.30068      9.812457 
1 1 1 -26 12 2  o 49.83789 5.909636 129.9341       28.26835 129.9341       28.26835 0.000000       0.000000 49.83789 5.909636 ?        ?        ?              ?        
1 1 1 -26 12 3  o 22.28716 6.644429 26.59695       15.58369 16.99443       23.42571 34.22000       20.87203 20.62280 8.042846 25.05190 7.736183 -4.429094      11.15957 
1 1 1 -26 12 4  o 24.67275 6.539465 33.01000       16.04557 31.00085       23.51698 34.76000       21.94792 24.24785 8.267712 25.24789 7.954235 -1.000042      11.47279 
1 1 1 -26 12 5  o 10.67388 5.090988 -18.03470      14.78413 13.99185       22.23339 -43.42000      19.79436 19.62799 7.780293 10.43965 5.171094 9.188332       9.342010 
1 1 1 -26 12 6  o 33.42368 5.579119 58.79100       17.60969 24.80704       24.89197 92.84000       24.91578 22.77015 8.425918 41.83442 6.278209 -19.06427      10.50771 
1 1 1 -26 12 7  o 25.33712 7.629552 35.23082       20.47011 36.54000       45.57732 34.90000       22.91088 27.87029 11.10953 25.29831 8.144766 2.571983       13.77530 
1 1 1 -26 12 8  o 11.16892 5.249845 -14.04987      14.66279 -24.70311      21.82124 -5.280000      19.79863 13.02040 6.203157 14.89121 6.652426 -1.870810      9.095819 
1 1 1 -26 12 9  o 22.63951 6.975306 27.57122       16.97982 19.22993       25.33854 34.37000       22.87603 21.46774 8.366944 25.09007 8.143700 -3.622339      11.67586 
1 1 1 -26 12 10 o 39.09311 5.094037 79.36235       19.02937 58.56742       26.89779 100.2000       26.92541 32.02021 8.457533 43.24085 6.567804 -11.22065      10.70822 
1 1 1 -26 12 11 o 26.94829 6.663463 39.79769       17.47675 24.26560       24.64098 55.52000       24.79142 22.47533 8.370757 31.31029 8.046154 -8.834965      11.61078 
1 1 1 -26 12 12 o 15.70399 6.470918 5.806262       16.06353 -14.32326      23.15256 24.49000       22.30562 14.76180 6.822818 22.15952 8.011386 -7.397715      10.52298 
1 1 1 -26 12 13 o 9.810268 4.784095 -25.55107      14.93405 -31.95805      21.77402 -19.86000      20.52147 12.20424 5.910991 13.00898 6.144125 -0.8047419     8.525847 
1 1 1 -26 12 14 o 56.86098 3.994573 163.8463       22.09118 142.9329       29.58538 190.2000       33.21136 52.04382 5.912332 60.25596 5.698639 -8.212139      8.211587 
1 1 1 -26 12 15 o 36.24942 5.498920 69.46061       18.89962 45.97953       26.44363 93.98000       27.02196 28.20307 8.707460 41.47196 6.898924 -13.26889      11.10923 
1 1 1 -26 12 16 f 47.32366 4.676878 115.6429       21.38114 104.4145       29.00779 129.0000       31.63815 43.56773 7.042232 48.65362 6.831312 -5.085892      9.811211 
1 1 1 -26 12 17 o 30.13824 6.676948 50.37923       19.17817 48.52425       26.43629 52.44000       27.86406 28.72454 8.674973 29.72380 8.890287 -0.9992619     12.42145 
1 1 1 -26 12 18 o 15.27557 6.596012 1.515117       18.00891 4.684239       24.29347 -2.351000      26.83227 17.88868 7.692038 17.46627 7.777412 0.4224072      10.93872 
1 1 1 -26 12 19 o 17.81471 7.114133 11.88957       18.72354 23.90166       24.68512 -4.383000      28.73122 21.91261 8.330995 17.64262 7.937216 4.269983       11.50673 
1 1 1 -26 12 20 o 17.31354 7.038148 10.09992       18.68435 -4.948104      24.08994 32.82000       29.60063 16.12204 7.259238 24.39326 9.156373 -8.271215      11.68485 
1 1 1 -26 12 21 o 13.10974 6.067753 -11.03465      18.40654 -17.47267      23.62909 -1.099000      29.35412 14.22478 6.679350 18.09852 8.091676 -3.873735      10.49233 
1 1 1 -26 12 22 o 38.62970 5.905272 81.56736       21.62092 80.59251       27.48462 83.15000       35.01971 36.99129 7.834868 35.90749 9.725483 1.083794       12.48880 
1 1 1 -26 12 23 o 28.55324 6.953602 47.05187       19.25088 63.51677       27.08371 30.23920       27.36824 32.18845 8.479506 23.30331 8.792004 8.885141       12.21480 
1 1 1 -26 12 24 o 18.67534 7.173730 16.47412       18.42690 -1.176756      24.70291 38.61578       27.66750 16.66403 7.438538 25.21322 8.944923 -8.549189      11.63372 
1 1 1 -26 12 25 o 55.87865 4.862725 165.2146       26.33234 161.3411       30.97909 175.3000       49.98765 54.25444 5.929924 51.57059 10.26379 2.683853       11.85366 
1 1 1 -26 12 26 o 38.68777 6.407602 84.28972       23.41612 84.98533       27.31239 82.36000       45.49085 37.84469 7.636699 33.14507 11.49153 4.699619       13.79762 
1 1 1 -26 12 27 o 13.39805 6.159483 -8.361297      18.51370 -43.63071      24.17682 41.64194       28.78718 11.78812 5.816137 25.65104 9.121710 -13.86292      10.81818 
1 1 1 -26 12 28 o 45.74030 5.468257 113.8836       23.99792 100.0000       36.82217 124.1347       31.64050 38.75453 9.724038 46.13710 7.244719 -7.382565      12.12612 
1 1 1 -26 12 29 o 43.67612 5.757443 105.4144       24.01501 91.89000       36.34760 115.8921       31.99245 36.66455 9.898617 43.96109 7.716181 -7.296532      12.55078 
1 1 1 -26 12 30 o 26.18760 7.599464 42.15372       20.61877 48.56112       27.73761 34.24066       30.82479 27.13944 8.976587 23.68784 9.229486 3.451597       12.87488 
1 1 1 -26 12 31 o 28.93155 7.485857 51.41004       21.35953 56.31570       28.80100 45.41407       31.84115 28.87263 9.113901 25.89125 9.538818 2.981377       13.19289 
1 1 1 -26 12 32 o 12.31177 5.913135 -22.25654      20.71292 -31.60520      28.29860 -11.46858      30.39904 13.91078 6.737805 16.42331 7.667611 -2.512524      10.20736 
1 1 1 -26 12 33 o 36.10356 6.730184 76.87466       22.90914 90.46068       31.67568 61.97388       33.17299 36.92155 8.874913 29.20235 9.820407 7.719202       13.23648 
1 1 1 -26 12 34 o 33.42984 7.098813 67.96540       22.51030 53.26905       30.72228 85.00058       33.07669 27.23143 9.443575 34.71527 9.472447 -7.483839      13.37566 
1 1 1 -26 12 35 o 18.70471 7.570911 17.36419       21.51254 44.89729       29.76909 -12.72963      31.12267 25.24382 9.236012 16.18867 7.621516 9.055155       11.97462 
1 1 1 -26 12 36 o 28.16177 7.752450 51.09370       22.04326 26.38450       30.04963 79.88067       32.43454 21.38283 8.834576 33.37875 9.483320 -11.99591      12.96083 
1 1 1 -26 12 37 f 14.59397 6.793750 -9.344342      23.58863 -27.30000      36.37007 3.692570       30.99066 16.02597 7.731996 18.00064 8.157017 -1.974678      11.23925 
1 1 1 -26 12 38 o 16.39561 7.370160 1.897587       24.71569 5.050995       30.57273 -4.051000      41.99049 18.03493 8.143998 18.90933 8.886881 -0.8743935     12.05410 
1 1 1 -26 12 39 o 24.24394 8.777564 40.78123       26.78833 41.83213       32.75868 38.66000       46.54167 24.14660 9.483334 23.67021 10.40473 0.4763908      14.07807 
1 1 1 -26 12 40 o 21.80574 9.328555 28.24265       35.39260 26.88000       54.28693 29.25000       46.67618 22.71290 10.47987 22.55606 10.13479 0.1568375      14.57880 
1 1 1 -26 12 41 o 23.16713 8.331459 36.16237       24.08517 30.00609       32.87061 43.29937       35.39212 21.87300 9.154791 24.19452 9.739994 -2.321520      13.36704 
1 1 1 -26 12 42 o 18.68042 8.027367 15.21811       26.42587 22.29000       42.53698 10.77330       33.72295 21.29211 9.611339 19.03441 8.578116 2.257692       12.88262 
1 1 1 -26 12 43 o 15.77246 7.144739 0.5478573      23.75037 -2.425913      33.72036 3.475422       33.45737 17.43940 8.119835 18.04520 8.290167 -0.6058006     11.60425 
1 1 1 -26 12 44 o 21.29724 8.171864 30.09362       23.89331 38.94613       33.77441 21.22449       33.80609 22.94637 9.411302 20.16021 8.864533 2.786160       12.92875 
1 1 1 -26 12 45 o 15.29084 7.029154 -1.823432      24.10481 -3.388527      34.13824 -0.2672696     34.04066 17.07248 8.020268 17.37225 8.111715 -0.2997704     11.40722 
1 1 1 -26 12 46 o 21.32046 8.793968 32.21973       29.70664 64.46000       57.17307 20.29674       34.76841 24.57828 11.11422 19.69622 8.806149 4.882055       14.18006 
1 1 1 -26 13 1  o 43.42333 3.722804 95.10585       15.67085 82.85233       26.22876 101.9082       19.54233 39.01575 7.130703 44.64920 4.534354 -5.633453      8.450284 
1 1 1 -26 13 2  o 81.96838 3.036957 334.4515       24.32427 331.0779       38.22888 336.7463       31.53024 80.49845 4.874589 81.77673 3.950736 -1.278282      6.274547 
1 1 1 -26 13 3  o 44.75210 3.799387 101.1087       16.48589 76.12410       27.38481 115.3104       20.64634 36.99903 7.807370 47.53418 4.490654 -10.53514      9.006720 
1 1 1 -26 13 4  o 42.48253 4.769439 92.79610       19.49068 99.06209       27.84875 86.78000       27.28779 42.87081 6.868280 39.86231 7.261013 3.008499       9.994778 
1 1 1 -26 13 5  o 44.08226 5.860906 102.2007       24.66316 90.57000       49.22005 106.1000       28.49910 37.83022 11.91079 44.43938 6.764915 -6.609165      13.69784 
1 1 1 -26 13 6  o 12.73583 5.782836 -7.440157      15.67109 -19.61276      23.20277 2.770000       21.25027 14.13918 6.632696 16.87531 7.224046 -2.736136      9.807115 
1 1 1 -26 13 7  f 21.23822 7.004244 23.59743       16.89161 23.63991       24.68131 23.56000       23.16721 22.35231 8.367054 22.08827 8.136704 0.2640419      11.67106 
1 1 1 -26 13 8  o 30.26791 6.268507 49.50491       17.96013 46.52723       26.23850 52.13000       24.63608 28.56803 8.645629 30.30940 8.134789 -1.741365      11.87104 
1 1 1 -26 13 9  f 15.20031 6.418886 3.201649       16.38700 -13.93672      23.87790 18.46000       22.53020 15.08484 6.956691 20.65086 7.932404 -5.566018      10.55076 
1 1 1 -26 13 10 o 20.25353 7.056476 20.62515       17.16356 28.49973       25.21848 13.83000       23.42634 23.57879 8.519258 19.75435 7.934078 3.824442       11.64162 
1 1 1 -26 13 11 o 64.85710 3.938180 212.6360       24.88329 193.7474       33.49483 235.9000       37.17234 60.86036 5.688502 67.18290 5.706635 -6.322536      8.057590 
1 1 1 -26 13 12 o 40.17793 5.076092 84.03094       19.51813 72.20524       27.22321 96.54000       27.99874 35.70510 7.989343 42.02224 7.056847 -6.317146      10.65968 
1 1 1 -26 13 13 o 22.19331 6.926852 26.70817       16.68348 44.22525       24.28417 11.05000       22.95953 27.79634 8.296190 18.95502 7.765259 8.841326       11.36336 
1 1 1 -26 13 14 o 29.24164 6.485442 46.99531       18.07655 50.16130       26.22618 44.13000       24.94975 29.33476 8.587360 27.65962 8.442917 1.675140       12.04266 
1 1 1 -26 13 15 o 26.95315 6.969118 40.72462       18.52113 55.83503       26.46957 26.23000       25.92461 30.85211 8.496068 22.84542 8.570321 8.006685       12.06787 
1 1 1 -26 13 16 o 13.62215 6.159711 -6.417327      17.55968 24.23351       24.39919 -39.35000      25.29110 22.09357 8.308829 12.77969 6.230761 9.313888       10.38552 
1 1 1 -26 13 17 o 24.40251 7.378359 33.72807       19.11626 16.80070       25.61160 55.02000       28.72431 20.53847 8.279461 30.18286 9.026217 -9.644394      12.24835 
1 1 1 -26 13 18 f 15.26413 6.659515 0.4088129      18.75143 -8.365409      24.91584 11.87000       28.47647 15.92782 7.255383 20.09949 8.473286 -4.171670      11.15514 
1 1 1 -26 13 19 o 55.98838 4.490045 162.3606       24.40066 184.4183       32.24386 132.8000       37.32698 58.75373 5.677315 47.60993 8.312007 11.14380       10.06585 
1 1 1 -26 13 20 o 20.93783 7.528412 23.36447       19.66492 28.08292       25.68425 16.68000       30.57037 22.78876 8.534348 21.13962 8.836886 1.649147       12.28518 
1 1 1 -26 13 21 o 17.70201 7.154250 11.75274       19.17721 -6.409042      24.51369 40.40000       30.78726 15.90421 7.225859 25.83128 9.401609 -9.927062      11.85763 
1 1 1 -26 13 22 o 22.10909 7.684328 27.54089       20.34733 17.99171       25.69730 43.59000       33.31425 20.40368 8.268773 26.50155 9.758130 -6.097868      12.79038 
1 1 1 -26 13 23 f 18.60749 7.219287 15.97645       18.79726 -10.27115      25.25113 48.59979       28.15142 15.53687 7.161120 27.74908 9.036023 -12.21222      11.52959 
1 1 1 -26 13 24 o 23.52519 8.013210 32.75871       22.09054 37.07864       25.70062 20.54000       43.22330 24.70308 8.633013 23.12785 10.10017 1.575235       13.28692 
1 1 1 -26 13 25 o 11.99410 5.782318 -24.96652      20.24696 -26.02663      23.31952 -21.72000      40.80867 13.02395 6.260101 18.19287 8.613869 -5.168917      10.64836 
1 1 1 -26 13 26 o 12.17767 5.776826 -17.14643      18.52339 -16.89417      24.62904 -17.47494      28.10600 14.41339 6.783939 15.41111 7.251499 -0.9977131     9.930058 
1 1 1 -26 13 27 o 57.65520 4.675031 175.6641       26.15715 112.3000       39.44117 225.4150       34.94854 40.91586 9.946249 64.34343 5.604928 -23.42757      11.41679 
1 1 1 -26 13 28 o 39.39646 6.371018 88.03693       23.72997 97.41000       36.12841 80.92504       31.47024 38.13181 9.667736 35.24590 9.069511 2.885918       13.25599 
1 1 1 -26 13 29 f 27.19435 7.540942 45.35116       20.77220 65.19012       28.25458 22.01599       30.64324 31.58631 8.808389 21.32767 8.876168 10.25863       12.50496 
1 1 1 -26 13 30 f 11.10035 5.423671 -29.81204      19.46189 -25.49465      25.84896 -35.46255      29.57168 13.74979 6.604287 13.99563 6.804142 -0.2458429     9.482244 
1 1 1 -26 13 31 o 22.23788 7.741814 29.93465       20.65724 38.81298       28.05708 19.42480       30.52637 24.46505 8.964015 20.70378 8.752793 3.761274       12.52857 
1 1 1 -26 13 32 o 16.06453 6.991632 4.751998       20.56141 12.84671       27.65107 -5.260048      30.75194 19.02081 8.192923 17.11128 7.892506 1.909534       11.37610 
1 1 1 -26 13 33 o 23.44747 7.866232 35.07902       21.28520 26.88782       28.52864 45.36411       31.96770 21.51518 8.714879 25.33823 9.514520 -3.823053      12.90253 
1 1 1 -26 13 34 o 23.99823 7.934043 37.22844       21.66958 30.85122       29.26200 44.97243       32.24561 22.27416 8.894093 25.15176 9.531171 -2.877598      13.03641 
1 1 1 -26 13 35 o 21.29226 7.807964 28.00632       21.29380 13.74607       28.60527 45.72931       31.88973 19.03318 8.265491 25.18934 9.493381 -6.156160      12.58740 
1 1 1 -26 13 36 o 37.49154 6.559185 83.08997       23.19452 63.00079       32.46955 104.0235       33.14488 29.10267 9.714745 39.38729 8.817276 -10.28462      13.11947 
1 1 1 -26 13 37 o 26.04931 8.186550 45.56284       23.26245 67.07059       33.62742 25.82485       32.21421 29.60811 9.886505 21.29786 8.997114 8.310247       13.36754 
1 1 1 -26 13 38 o 46.31839 7.944569 136.8175       34.72275 110.5000       45.30127 174.3000       54.06321 35.85095 11.44391 45.37878 11.99260 -9.527828      16.57665 
1 1 1 -26 13 39 o 23.19133 8.747975 36.53930       27.09171 54.93828       33.65224 2.653000       45.66982 26.74265 9.814148 19.88595 9.321122 6.856693       13.53517 
1 1 1 -26 13 40 o 26.14500 8.384405 46.92580       24.29557 35.18662       33.73872 59.56995       35.01506 22.82926 9.389445 27.47770 10.02251 -4.648443      13.73362 
1 1 1 -26 13 41 o 15.49044 7.027599 -0.5493069     23.08328 21.60459       33.27490 -21.10085      32.04897 20.46557 8.900819 15.36721 7.374004 5.098369       11.55857 
1 1 1 -26 13 42 o 17.13841 7.593616 7.126589       25.26186 44.07000       40.88652 -15.68407      32.12776 24.00871 10.13886 15.85816 7.547140 8.150542       12.63946 
1 1 1 -26 13 43 o 25.98219 8.354716 47.59500       24.11230 63.00896       34.61671 33.06831       33.60564 27.68039 9.983910 22.02138 9.239380 5.659012       13.60311 
1 1 1 -26 13 44 o 26.38454 8.316543 49.61124       23.99000 28.38547       33.85717 71.01299       33.99723 21.06147 9.068813 29.29905 9.941462 -8.237581      13.45645 
1 1 1 -26 13 45 o 15.12680 6.951815 -1.472651      23.55468 0.3204692      33.94097 -3.138627      32.71552 17.28969 8.081907 16.74246 7.860854 0.5472317      11.27432 
1 1 1 -26 14 1  o 45.52143 3.765171 104.6880       16.62679 54.01536       27.51965 133.8189       20.86568 30.62033 8.747062 51.32015 4.190173 -20.69982      9.698898 
1 1 1 -26 14 2  o 42.55767 3.926756 91.83666       16.17319 78.66005       27.40672 98.87698       20.03325 37.57504 7.710327 43.83218 4.744869 -6.257133      9.053337 
1 1 1 -26 14 3  o 43.63224 4.743163 97.99089       19.93171 84.89047       27.97370 111.5000       28.40669 39.14678 7.574289 45.62220 6.548664 -6.475418      10.01273 
1 1 1 -26 14 4  o 33.88797 5.510592 60.58136       17.65147 28.32000       46.38412 66.04457       19.08761 26.45187 10.95694 35.32161 5.715996 -8.869738      12.35828 
1 1 1 -26 14 5  o 47.00056 3.780040 111.6196       17.24370 90.89896       28.42112 123.6906       21.69251 40.61547 7.422395 49.15055 4.560980 -8.535076      8.711744 
1 1 1 -26 14 6  o 53.89433 4.294810 147.8573       22.46923 150.4072       31.75368 145.3000       31.79896 53.28112 6.204506 52.27063 6.344884 1.010490       8.874314 
1 1 1 -26 14 7  o 25.32008 7.083977 35.44413       18.24282 -5.405825      26.96749 69.91000       24.77076 17.30080 7.743882 35.50833 7.368551 -18.20753      10.68940 
1 1 1 -26 14 8  o 24.81017 7.033297 33.98040       17.86028 45.50824       26.30440 24.12000       24.32775 28.19192 8.681073 22.32788 8.317082 5.864035       12.02227 
1 1 1 -26 14 9  o 21.00028 7.152647 22.84385       17.60053 16.79748       25.55519 28.30000       24.27588 20.84659 8.315807 23.37250 8.369332 -2.525915      11.79824 
1 1 1 -26 14 10 o 25.98724 6.846332 37.36785       17.65490 28.18367       25.30374 46.08000       24.64490 23.43128 8.524035 28.36478 8.330216 -4.933496      11.91854 
1 1 1 -26 14 11 o 42.21329 4.934855 92.53567       20.00628 71.85017       28.00340 114.1000       28.59208 35.38435 8.239573 46.00507 6.532880 -10.62072      10.51518 
1 1 1 -26 14 12 o 29.61086 6.516587 48.22026       18.37441 17.65100       26.72625 75.62000       25.30281 21.13980 8.480008 36.83955 7.275190 -15.69976      11.17313 
1 1 1 -26 14 13 f 28.89567 6.672031 46.32203       18.48973 36.47017       26.80851 55.26000       25.53483 25.47640 8.822273 30.79985 8.288611 -5.323454      12.10511 
1 1 1 -26 14 14 o 22.82659 7.337438 28.74616       18.59904 42.97922       26.67996 15.29000       25.94160 27.13878 8.793681 20.38301 8.290446 6.755770       12.08554 
1 1 1 -26 14 15 o 15.73517 6.722903 3.180167       18.33953 -9.554036      26.04156 15.71000       25.83175 16.19506 7.392612 20.37989 8.278907 -4.184828      11.09914 
1 1 1 -26 14 16 o 82.14281 4.464751 347.2219       35.76328 344.5000       52.37264 349.6000       48.95408 79.31445 6.811908 80.56599 6.256714 -1.251541      9.249247 
1 1 1 -26 14 17 o 18.04913 7.211743 12.46982       19.25160 -10.69975      26.36583 38.93000       28.17597 16.04900 7.368019 25.78437 9.037164 -9.735369      11.66010 
1 1 1 -26 14 18 o 29.02742 7.282970 48.69725       20.65620 34.18734       27.45956 67.61000       31.35008 24.46885 8.882907 32.85928 9.319311 -8.390432      12.87461 
1 1 1 -26 14 19 o 31.74806 6.953609 57.64445       21.00950 66.13793       27.65403 46.05000       32.31026 32.93628 8.515560 27.19395 9.664456 5.742329       12.88086 
1 1 1 -26 14 20 o 15.25623 6.750002 -0.9553055     19.89108 -1.981348      26.13383 0.4576000      30.66739 17.00812 7.617290 18.52147 8.276446 -1.513350      11.24823 
1 1 1 -26 14 21 o 27.67108 7.544815 45.38291       20.99330 25.01204       26.72620 78.20000       33.92208 22.02371 8.590318 34.71133 9.640901 -12.68762      12.91280 
1 1 1 -26 14 22 o 15.32900 6.821011 -1.562987      20.60233 -5.323462      25.06451 6.270000       36.17442 16.13910 7.322314 20.33137 9.043179 -4.192266      11.63595 
1 1 1 -26 14 23 o 22.00594 7.973073 27.38700       22.10809 19.04559       25.90046 49.78000       42.43691 20.47748 8.300406 27.39157 10.78278 -6.914095      13.60754 
1 1 1 -26 14 24 o 22.14464 7.971433 28.07391       22.05472 35.74631       25.68274 6.526000       43.04060 24.27958 8.617679 21.34069 9.647376 2.938892       12.93585 
1 1 1 -26 14 25 o 20.21633 7.458273 22.09459       19.47725 -2.478118      25.85171 54.35643       29.62152 16.62944 7.500966 28.74847 9.261580 -12.11903      11.91811 
1 1 1 -26 14 26 o 27.93863 7.758197 47.74667       21.96941 23.06000       32.24846 69.12650       30.01095 21.92412 9.113491 32.56856 9.076460 -10.64444      12.86226 
1 1 1 -26 14 27 o 37.40161 6.560101 80.11863       23.14105 13.94000       34.01450 137.1427       31.57434 20.63164 8.985778 48.88520 6.780931 -28.25357      11.25723 
1 1 1 -26 14 28 o 46.20879 5.107645 115.4881       22.71697 112.6260       31.11826 118.7538       33.23988 43.28300 7.623361 44.05899 8.002244 -0.7759895     11.05222 
1 1 1 -26 14 29 o 15.39930 6.837908 0.3812172      20.59480 -2.327077      28.53866 3.324298       29.74999 17.12274 7.786161 18.15698 8.129867 -1.034243      11.25696 
1 1 1 -26 14 30 o 17.23055 7.232817 10.16879       20.60945 12.06895       27.92827 7.896833       30.53867 19.05895 8.221803 18.89017 8.360480 0.1687794      11.72585 
1 1 1 -26 14 31 o 17.91468 7.374395 13.48335       20.83454 44.98549       28.44677 -22.96798      30.59988 25.75550 9.076194 15.24501 7.285779 10.51049       11.63872 
1 1 1 -26 14 32 o 16.43813 7.087564 6.874873       20.73333 9.115847       28.34696 4.296910       30.40369 18.43251 8.110634 18.12854 8.159612 0.3039703      11.50485 
1 1 1 -26 14 33 o 17.50956 7.315747 12.23339       20.93597 -3.719412      28.50358 30.92254       30.85147 16.62456 7.642770 22.35483 9.059909 -5.730270      11.85301 
1 1 1 -26 14 34 o 18.34879 7.500406 16.09156       21.36145 16.36979       28.98935 15.76099       31.59830 19.50395 8.394808 19.75372 8.631024 -0.2497768     12.04024 
1 1 1 -26 14 35 o 19.96814 7.753185 22.78900       21.69321 7.473857       29.32302 41.30499       32.24197 18.21288 8.118814 24.26921 9.444008 -6.056332      12.45409 
1 1 1 -26 14 36 o 15.08130 6.808688 -1.020558      21.35497 -23.92667      29.93483 22.71712       30.47335 14.75018 7.090562 20.65355 8.739022 -5.903370      11.25374 
1 1 1 -26 14 37 f 31.64511 8.656259 68.63951       27.58235 31.27138       32.87424 157.5000       50.69434 22.23903 9.219203 43.63427 11.65055 -21.39524      14.85695 
1 1 1 -26 14 38 o 27.54301 8.660282 53.01163       26.02946 44.34069       32.49404 68.54000       43.48439 24.60058 9.506114 28.04639 10.95222 -3.445816      14.50232 
1 1 1 -26 14 39 o 23.15913 8.541061 36.36163       25.53950 23.70000       38.82716 46.01781       33.90731 21.34961 9.439044 24.80787 9.675941 -3.458252      13.51737 
1 1 1 -26 14 40 o 16.78533 7.534087 4.010766       25.72039 2.431536       31.54484 7.143000       44.42554 17.69049 8.098334 19.96927 9.305216 -2.278778      12.33572 
1 1 1 -26 14 41 o 21.23253 8.352285 28.86447       25.44606 47.11000       40.60930 17.06948       32.65097 24.41671 10.19430 19.69572 8.684055 4.720984       13.39166 
1 1 1 -26 14 42 o 17.58451 7.537017 12.44679       23.18437 46.39276       33.25769 -19.64571      32.33700 24.52968 9.578376 15.46897 7.418683 9.060714       12.11537 
1 1 1 -26 14 43 o 13.20407 6.312942 -17.50657      23.02351 -24.48550      33.29401 -11.11074      31.87280 15.16764 7.337383 16.03580 7.598454 -0.8681660     10.56284 
1 1 1 -26 14 44 o 30.86381 8.199345 66.66882       25.18802 82.60239       37.50062 53.57209       33.99877 30.56870 10.43993 25.24399 9.731963 5.324715       14.27247 
1 1 1 -26 14 45 o 13.35761 6.383983 -15.96439      23.49798 -27.81371      33.85954 -4.955617      32.63652 14.81487 7.219995 16.51685 7.784848 -1.701981      10.61754 
1 1 1 -26 15 1  o 42.34053 7.166899 98.19861       28.64394 98.19861       28.64394 0.000000       0.000000 42.34053 7.166899 ?        ?        ?              ?        
1 1 1 -26 15 2  o 83.06440 3.693529 347.1342       29.95541 222.6000       56.89044 394.9061       35.23557 61.70537 9.742020 88.33958 4.085994 -26.63421      10.56420 
1 1 1 -26 15 3  o 26.69231 5.801960 38.35846       14.72530 23.01813       25.60466 45.93956       17.99980 22.25329 8.478973 28.98620 6.504342 -6.732908      10.68641 
1 1 1 -26 15 4  o 38.52140 4.330683 76.07789       16.04667 66.50669       27.64389 80.94189       19.70666 34.04078 8.358721 39.34769 5.247364 -5.306911      9.869298 
1 1 1 -26 15 5  o 19.12869 6.460629 18.64328       14.35710 2.025834       25.60261 26.26576       17.34004 18.01954 7.822521 22.10552 7.082695 -4.085979      10.55255 
1 1 1 -26 15 6  o 56.77533 3.510665 162.1381       19.41448 134.9878       32.89967 176.6441       24.04801 49.88897 6.923580 58.93501 4.196137 -9.046032      8.095896 
1 1 1 -26 15 7  o 34.00742 5.001482 60.46285       16.15177 53.02013       28.25388 64.07589       19.68559 30.11312 8.939100 34.55260 6.040308 -4.439482      10.78855 
1 1 1 -26 15 8  o 44.28144 4.953861 101.7895       21.10443 106.9394       30.17803 96.86000       29.52504 44.05346 7.250515 41.72317 7.505405 2.330292       10.43557 
1 1 1 -26 15 9  o 44.77984 4.838814 103.9284       20.87291 114.2175       29.65779 93.83000       29.38165 45.78289 6.826370 40.92670 7.614543 4.856197       10.22647 
1 1 1 -26 15 10 o 45.71464 4.808683 108.3415       21.19546 74.67273       29.15193 146.1000       30.87177 35.82261 8.451441 52.28447 6.149761 -16.46186      10.45210 
1 1 1 -26 15 11 o 48.09608 4.618039 119.4730       21.47386 122.3254       30.58526 116.7000       30.15654 47.29967 6.801462 46.12251 6.890748 1.177158       9.682059 
1 1 1 -26 15 12 o 32.77102 6.234334 58.62294       19.26748 37.53745       27.73163 78.30000       26.78944 25.70307 8.968644 37.13334 7.625903 -11.43027      11.77247 
1 1 1 -26 15 13 o 23.04083 7.408875 29.55005       18.96182 32.29662       26.93132 26.85000       26.70228 24.27639 8.799329 22.95417 8.679004 1.322222       12.35934 
1 1 1 -26 15 14 f 54.66838 4.624927 154.8083       24.51642 96.25284       32.50243 232.1000       37.34211 40.44506 8.481380 65.97765 5.842567 -25.53259      10.29900 
1 1 1 -26 15 15 o 53.28335 4.860033 148.2522       25.06888 103.2381       33.19522 208.0000       38.24393 41.88918 8.388703 61.81816 6.413417 -19.92899      10.55946 
1 1 1 -26 15 16 o 38.49965 6.029639 80.79522       21.97711 86.75181       29.75969 73.65000       32.59399 38.37269 8.173694 34.29704 9.421206 4.075645       12.47271 
1 1 1 -26 15 17 o 24.97336 7.611789 36.39123       20.28918 50.97297       27.55356 19.12000       29.98711 28.75039 8.890370 21.48101 8.845261 7.269381       12.54103 
1 1 1 -26 15 18 o 36.96891 6.096169 75.35592       21.29148 63.67073       28.35153 90.47000       32.24405 32.03650 8.781298 38.41183 8.769393 -6.375328      12.41022 
1 1 1 -26 15 19 o 13.10491 6.091765 -11.91639      18.85901 2.477632       25.02956 -30.82000      28.68365 17.37521 7.634170 14.42932 6.937477 2.945886       10.31548 
1 1 1 -26 15 20 o 16.48611 7.014901 5.800336       19.82296 4.507971       25.22309 7.888000       32.05798 17.72392 7.728340 19.79859 8.671064 -2.074671      11.61527 
1 1 1 -26 15 21 o 18.88832 8.014108 10.75682       25.74573 10.75682       25.74573 0.000000       0.000000 18.88832 8.014108 ?        ?        ?              ?        
1 1 1 -26 15 22 o 33.58571 8.502719 70.31284       27.97452 70.31284       27.97452 0.000000       0.000000 33.58571 8.502719 ?        ?        ?              ?        
1 1 1 -26 15 23 o 16.66682 6.981160 8.060932       19.13699 26.63119       25.92673 -14.16627      28.36489 22.05436 8.499509 15.87894 7.411204 6.175422       11.27686 
1 1 1 -26 15 24 o 31.72078 6.602305 57.91040       19.83191 62.09723       27.05656 53.04933       29.15384 31.28808 8.579313 28.44302 9.190372 2.845062       12.57249 
1 1 1 -26 15 25 o 20.31200 7.752561 21.77426       21.42876 -18.65000      31.83621 55.25924       28.97513 16.26746 7.673872 28.99472 9.139956 -12.72727      11.93428 
1 1 1 -26 15 26 o 37.52391 6.711468 81.20906       23.74585 15.40000       35.14509 136.4851       32.20996 20.99557 9.139228 48.54746 6.978537 -27.55189      11.49893 
1 1 1 -26 15 27 o 41.40393 5.608033 94.70418       22.14407 86.99857       30.50925 103.2829       32.19129 36.91823 8.602798 40.60577 8.377344 -3.687546      12.00783 
1 1 1 -26 15 28 o 27.49228 7.500902 46.49770       20.74184 22.58148       27.96932 75.72382       30.91871 21.02632 8.587177 33.65242 9.148247 -12.62610      12.54711 
1 1 1 -26 15 29 o 36.69292 6.201015 76.92724       21.47883 61.79721       29.10479 95.02213       31.82898 30.18717 9.099136 38.33231 8.684868 -8.145132      12.57860 
1 1 1 -26 15 30 o 18.43032 7.388227 16.13683       20.27334 2.979958       27.40031 32.05231       30.13624 17.45238 7.809189 22.85370 9.058372 -5.401323      11.95983 
1 1 1 -26 15 31 o 14.49720 6.576579 -3.410730      20.21160 19.55706       27.26407 -31.43331      30.11516 20.03962 8.358828 14.31237 6.936677 5.727252       10.86220 
1 1 1 -26 15 32 o 18.62735 7.482213 17.37293       20.83627 10.05117       28.73669 25.48927       30.25583 18.55134 8.164441 21.30061 8.838564 -2.749264      12.03239 
1 1 1 -26 15 33 o 31.91868 8.254951 67.30045       25.98200 110.8000       41.41999 39.07981       33.36191 37.69772 10.71882 23.79379 9.498131 13.90393       14.32157 
1 1 1 -26 15 34 o 11.73289 5.705843 -27.02718      20.83900 -23.72635      28.33946 -30.91329      30.74944 14.37733 6.908149 14.40122 6.986698 -0.2389240E-01 9.825297 
1 1 1 -26 15 35 o 22.31267 7.936429 31.89809       21.79317 37.91459       30.43960 25.57097       31.21545 23.54142 9.171864 21.23891 8.907503 2.302505       12.78541 
1 1 1 -26 15 36 o 14.97178 6.811554 -2.519518      21.87635 15.51861       31.45831 -19.41135      30.44234 19.57115 8.580019 15.25415 7.283801 4.317003       11.25480 
1 1 1 -26 15 37 o 17.49615 7.634830 9.407641       24.65661 -2.283541      30.99142 29.57000       40.69893 17.11171 7.903561 22.23565 9.753326 -5.123941      12.55363 
1 1 1 -26 15 38 o 13.19454 6.264981 -15.83562      21.88481 -8.246872      30.73690 -23.63833      31.16719 16.38050 7.667975 15.00479 7.218625 1.375707       10.53121 
1 1 1 -26 15 39 o 19.73045 7.872298 22.26545       22.90699 16.68052       32.06164 28.08913       32.73976 19.69530 8.647345 21.51783 9.079094 -1.822529      12.53820 
1 1 1 -26 15 40 o 21.23105 8.332466 28.89391       25.27504 -2.664000      39.24158 51.26730       33.04138 18.32167 8.604511 25.67750 9.666336 -7.355835      12.94124 
1 1 1 -26 15 41 o 21.42939 8.468665 29.81605       26.26798 35.61417       32.42747 18.75000       44.79869 22.62258 9.243531 20.98358 9.622625 1.638992       13.34308 
1 1 1 -26 15 42 o 16.13176 7.201313 4.545026       23.15554 13.04727       32.63558 -4.074201      32.85932 18.91861 8.489533 16.95577 7.934362 1.962835       11.62008 
1 1 1 -26 15 43 o 13.12894 6.275319 -16.78286      22.71685 -7.830797      32.52302 -25.31125      31.74410 16.37024 7.732610 14.67418 7.114342 1.696070       10.50748 
1 1 1 -26 15 44 o 25.83082 8.359717 49.17673       24.11602 40.08609       34.59387 57.77127       33.63667 22.47382 9.397951 25.85758 9.748908 -3.383753      13.54115 
1 1 1 -26 16 1  o 25.46929 6.579957 35.82608       16.51972 -16.66000      48.71229 42.64684       17.56034 21.32777 9.871266 27.81230 6.557909 -6.484531      11.85108 
1 1 1 -26 16 2  o 34.17283 4.824876 60.89009       15.69035 43.92127       27.45897 69.11662       19.11909 27.56648 8.920240 36.08882 5.593247 -8.522337      10.52877 
1 1 1 -26 16 3  o 44.91293 4.803073 104.4452       20.78784 76.11478       28.53173 136.5000       30.34928 36.40700 8.203641 50.49432 6.275456 -14.08732      10.32865 
1 1 1 -26 16 4  o 25.85440 6.079148 36.49008       15.12406 -0.5821046     28.45621 51.08477       17.85461 18.32975 8.093342 30.66155 6.163065 -12.33180      10.17278 
1 1 1 -26 16 5  o 42.07600 4.092594 90.46857       16.64269 85.87899       29.58095 92.59417       20.13102 38.78928 8.054749 42.15945 4.973892 -3.370178      9.466709 
1 1 1 -26 16 6  o 42.71146 4.082469 93.22820       16.86019 90.27346       29.78992 94.62073       20.45082 39.85629 7.915185 42.59404 5.000298 -2.737755      9.362325 
1 1 1 -26 16 7  o 42.87057 4.212773 94.23103       17.44994 53.13306       30.22984 114.7685       21.36973 29.78230 9.328462 47.09927 4.697907 -17.31697      10.44464 
1 1 1 -26 16 8  o 64.82980 3.451986 211.7178       21.82637 172.2421       34.61116 237.7813       28.12335 56.56372 6.361481 68.23553 4.231481 -11.67181      7.640279 
1 1 1 -26 16 9  o 22.60844 6.654018 28.25579       15.71036 -2.507152      26.92412 44.13715       19.34513 17.50103 7.791937 27.97386 7.064499 -10.47283      10.51767 
1 1 1 -26 16 10 o 37.18816 4.822455 72.32144       17.14114 82.05961       28.88758 67.02943       21.29527 37.66632 8.077596 34.92826 6.466845 2.738060       10.34735 
1 1 1 -26 16 11 o 19.58391 7.238873 18.63878       18.36347 0.8930587      26.74797 34.46000       25.25596 17.90067 7.877519 24.68219 8.562171 -6.781511      11.63469 
1 1 1 -26 16 12 o 18.57356 7.239084 14.66824       18.96799 6.486916       27.34062 22.26000       26.33711 18.91797 8.147696 21.76113 8.516026 -2.843161      11.78591 
1 1 1 -26 16 13 o 42.52114 5.426844 96.29356       22.07294 69.07404       30.04762 128.2000       32.53188 33.62909 8.965263 47.81235 7.172240 -14.18325      11.48116 
1 1 1 -26 16 14 o 26.57177 7.594470 41.15714       20.73976 53.40314       28.69348 27.76000       30.01182 29.44272 9.066823 23.28293 9.096814 6.159788       12.84365 
1 1 1 -26 16 15 o 21.25760 7.627047 24.26700       20.17146 -5.651051      27.29137 60.29000       29.94668 16.89827 7.656370 31.01615 9.201950 -14.11788      11.97063 
1 1 1 -26 16 16 o 24.76289 7.635640 35.99328       20.34196 42.67785       27.06185 27.31000       30.84344 26.42049 8.869718 23.05375 9.155560 3.366743       12.74740 
1 1 1 -26 16 17 o 42.42278 5.678402 97.62077       22.98771 78.78928       30.26474 123.3000       35.34155 35.72791 8.729683 45.50072 8.238492 -9.772812      12.00334 
1 1 1 -26 16 18 o 25.12641 7.688015 37.42501       20.67156 23.81344       27.35036 55.56000       31.56949 21.83377 8.637321 29.30967 9.570532 -7.475897      12.89180 
1 1 1 -26 16 19 o 16.66671 7.124740 5.658733       20.61740 0.2019304      26.54241 13.96000       32.73735 17.35781 7.731815 20.80218 8.936854 -3.444376      11.81729 
1 1 1 -26 16 20 o 21.83374 8.589305 24.77211       26.91219 24.77211       26.91219 0.000000       0.000000 21.83374 8.589305 ?        ?        ?              ?        
1 1 1 -26 16 21 o 37.72815 8.086263 86.36681       28.96439 86.36681       28.96439 0.000000       0.000000 37.72815 8.086263 ?        ?        ?              ?        
1 1 1 -26 16 22 o 17.36426 7.089670 11.28684       19.05852 30.58703       25.49482 -13.16007      28.69347 22.92427 8.519055 16.06658 7.483849 6.857693       11.33941 
1 1 1 -26 16 23 o 28.96846 7.039472 49.53271       19.76188 39.28016       27.02483 61.31562       28.97165 25.03198 8.844223 30.66230 9.039108 -5.630318      12.64618 
1 1 1 -26 16 24 o 14.80911 6.655095 -2.907112      20.13635 15.23000       29.58120 -18.56829      27.48805 20.16439 8.574274 15.06489 7.113866 5.099508       11.14115 
1 1 1 -26 16 25 o 28.04229 7.926066 48.89760       22.71637 70.94000       34.63141 32.25103       30.09560 31.85267 9.985618 23.32696 9.110812 8.525705       13.51738 
1 1 1 -26 16 26 o 22.79873 7.730726 31.51620       20.55785 3.030575       28.61905 61.88446       29.54965 17.90635 7.998861 30.33311 9.173905 -12.42676      12.17137 
1 1 1 -26 16 27 o 43.83051 5.314385 105.1218       22.33485 65.51360       30.33441 152.0170       33.00707 31.03249 9.274668 51.25485 6.742442 -20.22236      11.46647 
1 1 1 -26 16 28 o 48.57373 4.869002 127.1124       22.83803 101.4095       31.21246 156.7296       33.50497 40.15975 8.217356 51.92337 6.752120 -11.76363      10.63560 
1 1 1 -26 16 29 o 24.68279 7.735421 38.37022       20.78372 32.33538       28.21334 45.53127       30.73333 22.83727 8.848868 25.72929 9.388982 -2.892019      12.90176 
1 1 1 -26 16 30 o 14.52560 6.570236 -2.790698      19.99628 6.438113       27.17035 -13.69615      29.53549 17.80408 7.882568 15.79983 7.434161 2.004259       10.83520 
1 1 1 -26 16 31 o 43.87335 5.469607 107.5978       22.98020 103.5568       32.11049 111.8404       32.90178 39.73861 8.511607 41.51038 8.386580 -1.771767      11.94915 
1 1 1 -26 16 32 o 17.15433 7.222092 11.15451       20.64363 6.361198       28.19521 16.69316       30.30816 17.82646 7.952896 19.72369 8.536861 -1.897226      11.66733 
1 1 1 -26 16 33 o 10.89639 5.372241 -35.09764      20.49883 -61.85269      27.66248 -2.511595      30.52840 11.47748 5.751584 17.09995 7.878819 -5.622469      9.754820 
1 1 1 -26 16 34 o 21.45869 7.904447 28.74727       21.86311 19.05784       29.89176 39.89351       32.06023 20.02529 8.570090 23.91892 9.385353 -3.893631      12.70950 
1 1 1 -26 16 35 o 17.99259 7.861205 10.57774       26.21065 6.670000       51.31202 11.95735       30.48835 20.79623 9.789312 18.88843 8.356946 1.907801       12.87125 
1 1 1 -26 16 36 o 17.66573 7.668316 10.49044       24.59913 5.656428       30.73878 19.10000       41.02259 18.03433 8.152783 20.97629 9.456464 -2.941954      12.48569 
1 1 1 -26 16 37 o 27.74654 7.984554 51.29549       22.85002 60.21284       32.35446 42.42173       32.27529 28.03008 9.692678 24.16066 9.435394 3.869415       13.52681 
1 1 1 -26 16 38 o 20.61433 7.991298 26.04496       23.01803 20.03714       33.80791 31.23643       31.42714 20.35995 8.911062 21.99689 9.056156 -1.636930      12.70516 
1 1 1 -26 16 39 o 30.83688 8.481684 65.85239       26.39792 47.42000       42.95063 77.04199       33.46464 24.36643 10.34528 31.53948 9.805140 -7.173056      14.25361 
1 1 1 -26 16 40 o 17.06073 7.392979 9.767791       22.78423 41.12847       32.23981 -21.52277      32.20375 23.64615 9.370234 15.31398 7.359726 8.332162       11.91498 
1 1 1 -26 16 41 o 28.93882 8.569005 59.75087       25.98900 91.72000       41.96932 39.86786       33.09844 31.79610 11.03702 23.14122 9.382059 8.654888       14.48581 
1 1 1 -26 16 42 o 15.30822 7.136221 -5.795732      26.17173 -4.772798      32.45148 -7.699000      44.26502 16.69858 7.836707 18.21171 8.719586 -1.513134      11.72370 
1 1 1 -26 16 43 o 19.90674 7.988954 25.57648       23.73171 10.95802       34.39116 38.86504       32.78951 18.50555 8.465556 22.43634 9.245086 -3.930794      12.53544 
1 1 1 -26 16 44 o 17.81343 7.626806 15.79099       23.69247 27.53495       34.17499 4.923358       32.87521 20.46835 8.958887 17.50308 8.103974 2.965265       12.08040 
1 1 1 -26 17 1  o 41.71292 5.235535 91.56872       20.90689 98.46241       29.16343 84.28000       29.98738 41.93028 7.374786 38.10775 8.276761 3.822525       11.08568 
1 1 1 -26 17 2  o 70.64177 3.247219 250.5709       22.39320 192.4048       35.07620 290.5878       29.09372 60.02243 6.052844 75.63746 3.943288 -15.61503      7.224018 
1 1 1 -26 17 3  o 50.75182 3.957497 131.2616       19.50445 82.23000       39.24292 147.3473       22.47730 35.93373 10.50035 53.58805 4.321819 -17.65432      11.35498 
1 1 1 -26 17 4  o 25.91068 7.219338 38.02719       18.98870 26.53888       28.27921 47.46000       25.62476 23.12828 8.886249 28.39196 8.533341 -5.263685      12.32004 
1 1 1 -26 17 5  o 16.74365 6.849433 8.332088       17.83100 -21.55007      26.45456 33.21000       24.13802 14.87860 7.011521 24.35743 8.374119 -9.478832      10.92187 
1 1 1 -26 17 6  o 27.88236 5.944388 42.48351       15.72755 44.03679       29.66293 41.87609       18.54955 27.28413 9.285750 27.24794 6.937673 0.3619194E-01  11.59122 
1 1 1 -26 17 7  o 33.48051 5.186991 59.46518       16.44924 56.05304       29.27051 61.04019       19.88651 30.39244 9.116926 33.33805 6.325478 -2.945610      11.09640 
1 1 1 -26 17 8  o 30.20502 5.862847 49.66295       16.70856 21.90333       29.12662 63.27861       20.39870 22.15771 8.864780 33.90067 6.381454 -11.74296      10.92279 
1 1 1 -26 17 9  o 59.11569 3.699218 177.4932       21.29789 127.8983       34.71960 207.4144       26.96780 47.33000 7.763227 63.47657 4.366971 -16.14657      8.907196 
1 1 1 -26 17 10 f 33.88120 5.390831 61.47558       17.27970 38.40083       29.69701 73.28693       21.24681 25.69776 9.250062 36.61100 6.146533 -10.91325      11.10601 
1 1 1 -26 17 11 o 67.66548 3.556235 232.0631       23.47127 180.9924       36.80637 267.0651       30.47075 57.30283 6.687653 72.00351 4.343577 -14.70068      7.974419 
1 1 1 -26 17 12 o 12.14057 5.639039 -11.02002      16.11078 -66.37783      26.88048 20.01332       20.12620 11.37813 5.697136 20.10113 7.549097 -8.723001      9.457602 
1 1 1 -26 17 13 o 32.64406 6.046006 58.77557       18.60747 9.910523       29.19916 92.18887       24.14520 19.70125 8.451594 40.92973 6.222481 -21.22848      10.49518 
1 1 1 -26 17 14 o 41.82448 5.703936 94.88155       22.74346 70.45885       30.42788 125.8000       34.23605 33.49080 9.063168 46.42822 7.810461 -12.93741      11.96429 
1 1 1 -26 17 15 o 23.87276 7.766071 33.39258       20.79721 20.55846       28.23239 48.62000       30.75231 21.31531 8.656476 27.68675 9.454079 -6.371441      12.81851 
1 1 1 -26 17 16 o 22.79431 7.723087 29.94560       20.51694 29.34742       27.16462 30.74000       31.30446 23.01734 8.742115 23.66084 9.277058 -0.6434994     12.74709 
1 1 1 -26 17 17 o 16.29507 7.042359 3.841262       20.56397 -20.85883      27.06917 37.55000       31.62255 14.85109 7.026836 25.00712 9.447158 -10.15603      11.77392 
1 1 1 -26 17 18 o 20.27374 7.733380 21.03449       21.31476 3.310249       26.60631 52.79000       35.61316 17.80584 7.845413 28.15008 10.13003 -10.34424      12.81281 
1 1 1 -26 17 19 o 19.23535 8.058064 13.33696       25.50143 13.33696       25.50143 0.000000       0.000000 19.23535 8.058064 ?        ?        ?              ?        
1 1 1 -26 17 20 o 14.83501 6.955252 -15.66115      25.45410 -15.66115      25.45410 0.000000       0.000000 14.83501 6.955252 ?        ?        ?              ?        
1 1 1 -26 17 21 o 15.53122 6.782518 2.191082       19.49063 6.912592       26.46972 -3.400708      28.80609 18.21955 7.931134 17.26071 7.838552 0.9588413      11.15104 
1 1 1 -26 17 22 o 12.35014 5.845003 -16.34159      18.75215 -4.167458      25.60811 -30.41753      27.53577 16.28841 7.394498 13.93660 6.724883 2.351816       9.995131 
1 1 1 -26 17 23 o 23.78994 7.950856 34.49689       21.74808 61.77000       32.94604 13.43502       28.95238 29.97695 9.776211 19.71788 8.436345 10.25907       12.91302 
1 1 1 -26 17 24 o 16.97946 7.115914 9.246593       19.89909 -2.812879      27.15127 23.24126       29.24875 16.79605 7.620635 21.42406 8.769230 -4.628008      11.61781 
1 1 1 -26 17 25 o 22.26324 7.694582 29.79444       20.38892 32.23893       28.07509 27.06643       29.65860 23.05720 8.855356 22.08475 8.907202 0.9724541      12.56008 
1 1 1 -26 17 26 o 38.73241 5.870952 84.25240       21.56127 66.59199       29.60798 104.1923       31.46079 31.43344 9.102118 40.87470 8.149430 -9.441263      12.21727 
1 1 1 -26 17 27 o 24.23372 7.667559 36.62466       20.37425 37.50436       27.90355 35.62007       29.81878 24.07180 8.918604 23.65246 9.115232 0.4193363      12.75261 
1 1 1 -26 17 28 o 16.76521 7.077306 9.134365       19.91016 1.443030       27.02593 18.26334       29.44359 17.12433 7.701559 20.19963 8.570403 -3.075294      11.52240 
1 1 1 -26 17 29 o 14.89059 6.658639 -0.3270517     19.88709 -33.43002      27.44690 36.25979       28.85509 13.38629 6.518565 23.49839 8.989417 -10.11210      11.10411 
1 1 1 -26 17 30 o 16.43512 7.080106 7.406369       20.65493 26.07656       28.62816 -12.86411      29.82985 21.23799 8.682352 15.85758 7.464371 5.380414       11.44989 
1 1 1 -26 17 31 o 34.74795 6.761657 72.54508       22.17004 84.89896       31.04540 59.68889       31.67028 35.07880 8.998504 28.35694 9.595429 6.721861       13.15467 
1 1 1 -26 17 32 o 21.75231 7.837691 29.92792       21.32688 17.15617       29.61072 43.69476       30.74264 19.64651 8.470484 24.71313 9.319506 -5.066616      12.59374 
1 1 1 -26 17 33 o 26.16853 8.651794 47.34275       25.76753 46.46771       30.90091 49.34000       46.68441 25.33580 9.385679 25.16391 10.73811 0.1718845      14.26176 
1 1 1 -26 17 34 o 15.77859 7.259690 -3.902781      25.78991 -9.699000      49.92444 -1.793049      30.11996 19.39200 9.278112 17.00376 7.831404 2.388247       12.14143 
1 1 1 -26 17 35 f 17.46457 7.598444 9.708936       24.26848 -9.376971      30.11986 45.03000       40.97448 16.13032 7.563617 24.37359 10.21264 -8.243275      12.70852 
1 1 1 -26 17 36 o 17.33152 7.350804 11.78026       21.64651 -6.336452      30.31325 30.63117       30.92138 16.47754 7.680926 21.88465 8.993616 -5.407103      11.82716 
1 1 1 -26 17 37 o 18.15388 7.517850 15.72710       21.82867 25.06407       31.28564 6.869887       30.47128 20.90061 8.849659 18.08667 8.152265 2.813936       12.03228 
1 1 1 -26 17 38 o 22.96706 8.353265 36.07334       24.29811 41.73000       38.19684 32.22844       31.49125 23.62487 9.876969 22.02139 9.065728 1.603481       13.40679 
1 1 1 -26 17 39 o 20.36774 7.883101 25.78720       22.37209 45.06464       31.45317 6.047582       31.82798 24.43191 9.375618 18.05500 8.214981 6.376915       12.46548 
1 1 1 -26 17 40 o 21.91177 8.068770 32.23847       22.77854 6.847565       31.98316 58.37498       32.44935 18.09810 8.234744 27.05882 9.677753 -8.960724      12.70708 
1 1 1 -26 17 41 o 13.85954 6.508198 -9.983660      22.43891 -16.28176      31.71692 -3.672446      31.74993 15.48089 7.403685 16.71685 7.814974 -1.235961      10.76515 
1 1 1 -26 17 42 o 20.36270 8.262769 27.27372       25.69798 13.10000       41.54733 36.05603       32.70434 19.49547 9.055369 22.01863 9.167268 -2.523161      12.88559 
1 1 1 -26 17 43 o 19.30238 8.205769 22.28265       27.08200 39.56080       33.91438 -8.125000      44.99110 22.33881 9.320651 17.90540 8.628978 4.433414       12.70172 
1 1 1 -26 18 1  o 45.84472 4.137107 108.0233       18.36534 55.66825       30.50396 137.7914       23.00130 30.03769 9.365001 51.53275 4.608574 -21.49506      10.43754 
1 1 1 -26 18 2  o 48.85864 3.879518 121.9133       18.40126 80.37508       31.03862 144.4250       22.84984 36.54777 8.785305 52.86020 4.457699 -16.31243      9.851531 
1 1 1 -26 18 3  o 16.29421 6.370104 10.40436       14.72385 -5.575217      27.93968 16.54843       17.32475 17.21854 7.779428 18.72541 7.009929 -1.506863      10.47180 
1 1 1 -26 18 4  o 16.88454 6.421718 12.42250       14.67041 -5.083433      27.08391 19.69150       17.45243 17.03148 7.680403 19.68206 7.090314 -2.650579      10.45281 
1 1 1 -26 18 5  f 18.23377 6.683928 16.08605       15.60193 1.348000       33.56807 20.14713       17.62086 19.57227 8.708078 19.83552 7.127114 -0.2632484     11.25284 
1 1 1 -26 18 6  o 18.42973 7.215299 14.36325       18.91266 15.89885       28.66864 13.18000       25.16554 20.79688 8.614252 19.56223 8.083818 1.234650       11.81328 
1 1 1 -26 18 7  o 28.12908 5.913880 43.52184       15.76540 11.60282       28.19042 58.04784       19.01734 19.89906 8.411846 32.42658 6.217766 -12.52752      10.46039 
1 1 1 -26 18 8  o 22.06885 6.700113 27.29571       15.74092 14.60509       28.46447 32.88632       18.89259 20.45932 8.537905 23.94801 7.353956 -3.488697      11.26838 
1 1 1 -26 18 9  o 48.03944 4.149000 119.0027       19.31855 81.50480       32.09604 140.3048       24.19134 36.32041 9.058909 51.73375 4.833209 -15.41334      10.26761 
1 1 1 -26 18 10 o 56.23994 3.831186 161.8196       20.96445 118.0424       33.94127 188.8237       26.65744 44.86802 8.022835 60.24272 4.554458 -15.37470      9.225451 
1 1 1 -26 18 11 o 49.45612 4.158202 126.4246       19.94320 115.0243       32.34159 133.4193       25.33295 44.46990 7.709266 50.04946 5.249072 -5.579563      9.326604 
1 1 1 -26 18 12 o 18.52575 6.941630 16.72640       16.99699 22.65413       27.54694 13.08227       21.59861 21.64661 8.634172 18.54268 7.556193 3.103926       11.47367 
1 1 1 -26 18 13 o 42.07891 4.853584 93.72322       19.62505 54.40726       30.42586 121.7338       25.68145 29.11084 9.387215 47.41938 5.643554 -18.30855      10.95306 
1 1 1 -26 18 14 o 39.72569 5.127571 84.38422       19.47378 62.30323       29.54780 101.3405       25.89288 31.29040 9.102310 42.64148 6.401015 -11.35108      11.12767 
1 1 1 -26 18 15 o 41.67923 4.957891 92.46426       19.83066 87.45839       30.62808 96.07751       26.02127 37.75977 8.493149 41.22979 6.675870 -3.470013      10.80282 
1 1 1 -26 18 16 o 18.22850 7.060909 15.38142       17.95972 26.55607       27.26221 6.813313       23.87187 22.25984 8.677860 17.70843 7.619893 4.551409       11.54851 
1 1 1 -26 18 17 f 22.80874 7.471265 30.50881       19.23206 12.79276       27.05095 48.61604       27.34797 19.44118 8.230213 27.61372 8.899330 -8.172541      12.12165 
1 1 1 -26 18 18 o 40.47338 6.329179 92.06660       24.25320 91.56056       29.37629 93.15000       42.98317 38.93874 7.975919 35.70252 11.11454 3.236217       13.68021 
1 1 1 -26 18 19 o 23.96796 8.153003 34.85974       22.86693 34.37493       27.03037 36.08000       42.88401 23.85820 8.788917 24.96094 10.45258 -1.102739      13.65656 
1 1 1 -26 18 20 o 22.34819 7.571999 29.45132       19.72205 22.10752       27.20673 37.58360       28.63005 21.09245 8.522490 24.56235 9.045776 -3.469904      12.42815 
1 1 1 -26 18 21 o 35.98082 6.706509 74.68338       22.75092 56.67000       34.48434 88.56706       30.27447 28.61511 10.00004 37.65519 8.424809 -9.040087      13.07587 
1 1 1 -26 18 22 o 59.65210 4.668740 188.6244       27.04333 181.1000       42.92378 193.5771       34.82410 54.23521 8.353319 58.85091 6.135329 -4.615692      10.36437 
1 1 1 -26 18 23 o 27.86688 7.530948 47.65805       21.02645 43.93207       29.56636 51.47073       29.90837 25.77733 9.235694 27.58734 9.324745 -1.810005      13.12436 
1 1 1 -26 18 24 o 45.04318 5.306160 110.8878       22.94624 100.8356       32.27848 121.1575       32.62609 39.82704 8.536540 44.67715 7.740912 -4.850109      11.52364 
1 1 1 -26 18 25 o 16.26681 6.997520 6.111635       20.12030 6.499478       27.55673 5.668789       29.44594 18.07523 7.973384 18.33578 8.157043 -0.2605515     11.40667 
1 1 1 -26 18 26 o 37.90738 6.064764 81.73353       21.74495 88.30389       30.39482 74.84498       31.12207 36.93602 8.572629 33.09392 9.250349 3.842102       12.61186 
1 1 1 -26 18 27 o 19.61830 7.516644 21.16213       20.19541 27.19959       27.89862 14.51557       29.27209 21.65665 8.671969 19.50518 8.415810 2.151470       12.08424 
1 1 1 -26 18 28 o 19.45292 7.515125 20.83457       20.30449 43.13125       28.58508 -1.871739      28.84647 25.03185 9.066551 16.96425 7.757708 8.067598       11.93249 
1 1 1 -26 18 29 o 22.56052 7.795670 32.42806       20.92772 40.11527       28.88591 23.93526       30.36176 24.14647 9.049032 20.95831 8.787012 3.188160       12.61335 
1 1 1 -26 18 30 o 21.14471 7.678575 27.66268       20.52065 12.02316       28.24312 45.15115       29.86598 18.65335 8.154875 25.13120 9.241751 -6.477848      12.32526 
1 1 1 -26 18 31 o 16.61082 7.101893 8.905045       20.49083 -22.75641      28.15034 44.58672       29.88415 14.37871 6.902626 24.93738 9.231462 -10.55867      11.52676 
1 1 1 -26 18 32 o 34.46456 8.024591 77.12421       26.56333 55.16441       31.25089 134.3000       50.42598 27.25688 9.520067 39.03090 12.01964 -11.77402      15.33309 
1 1 1 -26 18 33 o 26.89854 8.842290 51.48327       26.92818 41.98000       53.31927 54.73713       31.19945 24.02427 10.81008 26.97032 9.505113 -2.946047      14.39462 
1 1 1 -26 18 34 o 16.95553 7.457529 7.140773       23.94173 12.63447       29.81398 -2.835000      40.17548 18.83841 8.302447 18.59640 8.724895 0.2420082      12.04385 
1 1 1 -26 18 35 o 23.17738 8.076132 35.90459       22.48254 48.10540       32.23440 24.34693       31.37331 25.25527 9.538736 20.79168 8.835188 4.463596       13.00185 
1 1 1 -26 18 36 o 15.31624 6.996463 -2.353319      23.37962 0.6022000      36.96564 -4.323803      30.18338 18.37072 8.535857 16.63647 7.724265 1.734251       11.51196 
1 1 1 -26 18 37 o 23.52881 8.408203 38.28191       24.48895 34.19000       38.88681 40.97124       31.52550 22.51683 9.707494 23.68353 9.302625 -1.166698      13.44523 
1 1 1 -26 18 38 o 16.50510 7.188799 8.011408       21.77207 20.82799       31.00258 -4.460147      30.58243 19.99101 8.643325 16.58591 7.725923 3.405104       11.59297 
1 1 1 -26 18 39 f 23.84830 8.142556 39.21375       22.81176 48.01547       32.62183 30.79127       31.91131 24.85936 9.546023 21.64059 9.036160 3.218765       13.14453 
1 1 1 -26 18 40 o 18.29967 7.634235 17.29509       22.74723 -13.63835      32.24055 47.95715       32.09881 15.83369 7.542500 24.60278 9.463603 -8.769095      12.10162 
1 1 1 -26 18 41 o 15.00513 6.884129 -1.591321      22.96349 -22.80773      32.85418 18.67383       32.10921 15.05042 7.282627 19.32565 8.562008 -4.275229      11.24031 
1 1 1 -26 18 42 o 15.45891 7.034753 1.902852       23.34988 -46.51915      33.33656 48.53782       32.71563 13.41548 6.656555 23.99060 9.460290 -10.57512      11.56749 
1 1 1 -26 19 1  o 20.92180 6.858056 24.18781       16.20339 21.82880       29.69748 25.18777       19.33496 21.94848 8.891171 21.44964 7.488489 0.4988480      11.62456 
1 1 1 -26 19 2  o 16.26332 6.496988 9.662102       15.62171 -14.76087      28.66617 19.97890       18.63129 16.14875 7.507978 19.82928 7.298144 -3.680532      10.47056 
1 1 1 -26 19 3  o 21.12418 6.784875 24.81530       15.90541 20.38232       29.20120 26.68526       18.96569 21.58337 8.789468 21.87705 7.425254 -0.2936821     11.50605 
1 1 1 -26 19 4  o 28.50583 5.933189 44.92473       16.01575 0.6538788      29.49653 63.43312       19.07201 18.34506 8.162435 33.99998 5.947221 -15.65492      10.09925 
1 1 1 -26 19 5  o 51.89062 3.832200 137.8943       19.32716 84.67798       33.45210 164.5586       23.67916 36.71064 9.300230 56.37571 4.324102 -19.66507      10.25632 
1 1 1 -26 19 6  o 15.58850 6.389160 7.325733       15.55251 15.05000       34.46736 5.350981       17.42752 21.45910 9.193600 15.71795 6.627558 5.741155       11.33344 
1 1 1 -26 19 7  o 25.04096 6.503838 35.68264       16.08208 21.49039       29.13496 41.90174       19.28646 21.67123 8.796430 26.80626 7.198907 -5.135023      11.36668 
1 1 1 -26 19 8  o 25.41819 7.544534 38.12847       20.12683 24.23178       28.76922 51.45000       28.16759 22.12543 8.824149 28.61114 9.010705 -6.485710      12.61184 
1 1 1 -26 19 9  o 46.84123 4.229183 113.8770       19.18194 93.34241       31.79597 125.6269       24.05174 39.13815 8.540337 48.57978 5.135730 -9.441631      9.965594 
1 1 1 -26 19 10 o 13.93896 6.171712 -1.565215      16.65857 -45.94119      27.48533 24.20118       20.94372 12.80303 6.294374 21.15153 7.745603 -8.348497      9.980656 
1 1 1 -26 19 11 o 41.34932 4.862552 90.63520       19.30487 56.19634       30.54406 113.5434       24.91140 29.50783 9.394380 45.71988 5.689295 -16.21205      10.98283 
1 1 1 -26 19 12 o 36.71881 5.480551 73.21955       19.09572 44.65172       29.46877 93.89827       25.07178 26.61349 9.247816 40.91306 6.475968 -14.29957      11.28983 
1 1 1 -26 19 13 o 43.06644 4.776409 98.19555       19.79661 84.61403       30.58370 107.9896       25.97157 36.96103 8.613645 44.12122 6.183238 -7.160191      10.60317 
1 1 1 -26 19 14 o 14.76908 6.455754 1.016784       17.69398 -17.95417      28.13402 13.43065       22.75834 15.42519 7.257189 18.72074 7.706892 -3.295548      10.58598 
1 1 1 -26 19 15 o 33.94417 5.957994 64.17374       19.07401 40.75335       29.03877 81.94631       25.29626 25.47766 9.149955 37.51342 7.150058 -12.03576      11.61228 
1 1 1 -26 19 16 o 22.39984 7.991415 29.18620       22.11208 30.81778       27.82518 26.39000       36.42665 23.10439 8.830290 23.01485 9.635305 0.8954239E-01  13.06955 
1 1 1 -26 19 17 o 22.02443 7.970682 27.95428       22.08669 49.10515       27.25221 -12.53000      37.70341 27.61024 8.882410 18.27095 8.533203 9.339289       12.31717 
1 1 1 -26 19 18 o 26.83922 7.374599 43.44455       19.96797 26.31593       28.63946 59.64749       27.85483 22.08351 8.805288 30.33009 8.841931 -8.246580      12.47850 
1 1 1 -26 19 19 f 12.48187 5.878539 -14.57224      18.54574 -16.09163      25.80624 -12.94939      26.67038 14.81648 6.964447 15.43651 7.198643 -0.6200342     10.01619 
1 1 1 -26 19 20 o 16.10838 7.052214 2.954143       21.18742 48.57000       32.50994 -30.72613      27.93483 26.84770 9.676405 13.98638 6.754954 12.86132       11.80094 
1 1 1 -26 19 21 o 28.12224 8.001166 49.61472       23.07213 42.86000       35.50990 54.54958       30.35175 25.47235 9.911382 28.36157 9.390419 -2.889223      13.65341 
1 1 1 -26 19 22 o 10.91772 5.358707 -32.69233      19.66267 -49.57661      27.02339 -13.69641      28.66346 12.19942 6.042629 15.77661 7.391580 -3.577186      9.547189 
1 1 1 -26 19 23 o 21.99683 7.730515 29.09297       20.62663 25.27718       28.36341 33.37622       30.05058 21.53807 8.702047 23.28477 9.101188 -1.746696      12.59195 
1 1 1 -26 19 24 o 12.77875 6.012150 -13.64706      19.30946 -29.81150      26.09201 5.925050       28.71085 13.36431 6.472323 18.17715 8.072370 -4.812836      10.34670 
1 1 1 -26 19 25 o 30.46386 7.256365 56.63001       21.32719 28.62156       29.06287 89.31233       31.39427 22.11319 8.852327 36.81218 8.826957 -14.69899      12.50115 
1 1 1 -26 19 26 o 33.46148 6.832246 66.87480       21.61998 78.54206       30.02157 54.30528       31.16078 34.13395 8.896482 27.54148 9.512740 6.592464       13.02458 
1 1 1 -26 19 27 o 19.79999 7.564217 22.29243       20.41257 46.11795       28.74991 -1.927689      28.98701 25.66268 9.116831 16.94902 7.760466 8.713655       11.97253 
1 1 1 -26 19 28 o 15.91211 6.947120 5.076034       20.43708 4.085496       28.55778 6.115868       29.25978 17.57753 7.910124 17.99310 8.059089 -0.4155674     11.29243 
1 1 1 -26 19 29 o 15.61011 6.851985 4.118165       20.11892 17.07610       27.82627 -10.07554      29.12291 19.38993 8.282689 15.90254 7.450583 3.487391       11.14065 
1 1 1 -26 19 30 o 15.35359 6.799804 2.619296       20.23443 0.9221160      28.14772 4.434259       29.10806 16.97910 7.725449 17.63863 7.957486 -0.6595345     11.09072 
1 1 1 -26 19 31 o 28.95818 7.733695 54.32361       22.33470 33.31732       30.72995 77.84542       32.51790 22.54677 9.076120 32.56562 9.570019 -10.01885      13.18944 
1 1 1 -26 19 32 o 13.06189 6.167329 -13.47807      20.64914 -11.78127      29.52806 -15.10200      28.88709 15.72696 7.410181 15.23418 7.223063 0.4927807      10.34811 
1 1 1 -26 19 33 o 16.17902 7.246392 2.801064       23.65453 -12.84347      29.77082 29.59000       38.95716 15.66498 7.399088 22.07475 9.615373 -6.409776      12.13268 
1 1 1 -26 19 34 o 25.09265 8.002839 42.41745       22.15768 39.22593       31.35722 45.60022       31.31420 23.44964 9.257203 24.76248 9.390471 -1.312840      13.18623 
1 1 1 -26 19 35 o 18.58886 7.761174 16.86893       23.53814 8.474000       36.50886 22.84073       30.79234 19.12471 8.738757 20.43654 8.720879 -1.311829      12.34583 
1 1 1 -26 19 36 o 26.30370 8.413713 48.38957       24.47734 95.14000       39.45589 19.14011       31.20886 33.84269 10.66531 19.83168 8.622650 14.01101       13.71492 
1 1 1 -26 19 37 o 15.86457 7.006107 5.023621       21.33335 -5.443490      30.06247 15.64171       30.27851 16.35619 7.632564 19.10156 8.394499 -2.745369      11.34564 
1 1 1 -26 19 38 o 14.73348 6.707768 -1.769602      21.26082 12.44467       29.64804 -16.81742      30.50495 18.53135 8.217812 15.28737 7.297360 3.243973       10.99017 
1 1 1 -26 19 39 o 27.33227 7.954533 51.42525       22.56121 48.31066       31.71601 54.61575       32.10020 24.70832 9.431347 26.00834 9.578304 -1.300011      13.44226 
1 1 1 -26 19 40 o 19.63299 7.850266 24.13093       22.82828 13.69371       32.03738 34.89591       32.53653 18.66451 8.390504 21.87662 9.128695 -3.212111      12.39894 
1 1 1 -26 19 41 o 21.17172 8.113889 31.61578       23.53623 -0.7837945     33.75656 62.26702       32.83315 17.02868 7.991975 26.87981 9.719534 -9.851139      12.58336 
1 1 1 -26 19 42 o 20.78463 8.537724 31.21553       27.84984 59.85833       34.62146 -21.30000      46.87935 25.69080 9.842104 17.10167 8.369049 8.589138       12.91929 
1 1 1 -26 20 1  o 39.45608 4.997118 82.90203       18.86702 43.77573       32.13327 103.4872       23.30762 26.45153 9.608228 43.72995 5.571531 -17.27843      11.10675 
1 1 1 -26 20 2  o 27.04489 6.646731 41.93812       17.46823 -8.372310      30.76185 65.88197       21.22172 17.34468 7.961284 34.12186 6.592544 -16.77717      10.33652 
1 1 1 -26 20 3  o 19.82133 6.942807 21.18664       16.62804 -0.5866439     29.94468 30.89351       19.99390 18.13488 8.135387 23.06376 7.620947 -4.928879      11.14735 
1 1 1 -26 20 4  o 38.31015 4.916567 78.05263       18.01217 30.16462       30.21428 104.4547       22.43459 23.41600 9.133607 44.11782 5.301219 -20.70182      10.56057 
1 1 1 -26 20 5  o 16.33748 6.511130 10.26693       15.65268 -13.37227      28.18394 20.81027       18.82238 16.02895 7.449655 19.94363 7.336286 -3.914673      10.45555 
1 1 1 -26 20 6  o 16.88252 6.592655 12.12530       15.75607 -14.38779      27.98284 24.43298       19.06557 15.84954 7.385375 21.02971 7.428679 -5.180176      10.47516 
1 1 1 -26 20 7  o 16.18353 6.498286 9.653893       15.71068 9.136383       27.68537 9.899699       19.08043 19.06158 8.204112 17.16089 7.059891 1.900690       10.82356 
1 1 1 -26 20 8  o 16.25078 6.663709 8.627141       16.92783 36.72000       34.16732 -0.5117612     19.48767 24.92030 9.714924 15.13174 6.688707 9.788553       11.79485 
1 1 1 -26 20 9  o 12.64342 5.971781 -16.57269      19.39104 -44.84630      27.24091 12.47000       27.60892 12.76960 6.275627 19.56211 8.299469 -6.792504      10.40503 
1 1 1 -26 20 10 o 26.47984 7.103179 41.23213       18.78998 16.99414       29.93046 56.99860       24.13973 20.74718 8.713090 30.59949 7.978622 -9.852310      11.81424 
1 1 1 -26 20 11 o 23.86473 7.160721 33.50394       18.05523 37.13441       28.47343 31.06245       23.34997 24.66791 9.031584 23.02319 8.212250 1.644720       12.20699 
1 1 1 -26 20 12 o 22.88138 7.192147 30.68242       17.95367 31.40901       28.14125 30.18369       23.31496 23.30014 8.886350 22.75287 8.195295 0.5472755      12.08843 
1 1 1 -26 20 13 o 32.53521 6.130863 59.59243       18.80857 20.46767       29.41268 86.66009       24.46437 21.14735 8.739166 38.95950 6.654001 -17.81215      10.98402 
1 1 1 -26 20 14 o 58.75879 4.021922 178.9023       22.99249 147.9439       34.24964 204.3008       31.02201 50.57996 7.114187 61.70664 5.183963 -11.12668      8.802564 
1 1 1 -26 20 15 o 18.56131 7.555604 14.34589       21.56730 -8.523090      27.42253 51.43000       34.92031 16.21930 7.470973 27.52120 10.01338 -11.30190      12.49333 
1 1 1 -26 20 16 o 25.17669 8.120140 39.36990       22.76580 65.41779       28.86111 -3.531000      37.03907 31.69277 8.925699 18.97694 8.719839 12.71583       12.47813 
1 1 1 -26 20 17 o 25.05136 7.539689 38.15530       19.99442 18.33854       29.21632 55.61233       27.42170 20.59488 8.626147 29.22660 8.837022 -8.631716      12.34923 
1 1 1 -26 20 18 o 64.56013 3.982543 216.2746       25.04447 175.7766       35.84983 254.8795       35.00186 55.35395 6.756406 68.70938 5.243997 -13.35543      8.552691 
1 1 1 -26 20 19 o 23.46115 7.968564 33.74616       21.84307 41.30000       34.31370 28.59975       28.32278 25.16395 9.756459 22.37126 8.808249 2.792685       13.14434 
1 1 1 -26 20 20 o 23.81538 8.042317 35.35923       22.24739 42.86000       34.45595 29.99644       29.13446 25.30935 9.786495 22.59620 8.922208 2.713146       13.24316 
1 1 1 -26 20 21 o 18.26326 7.367508 15.03571       20.29608 5.068956       28.40123 25.43759       29.01457 18.07708 8.028283 21.63323 8.779253 -3.556150      11.89658 
1 1 1 -26 20 22 o 22.01340 7.765912 29.38745       20.83050 5.320969       28.81528 55.73052       30.14739 18.13006 8.067148 28.33120 9.357900 -10.20113      12.35513 
1 1 1 -26 20 23 o 20.82145 7.684643 25.33148       20.68113 38.87432       28.25761 9.709437       30.34936 24.29885 8.980045 19.00561 8.376378 5.293238       12.28027 
1 1 1 -26 20 24 f 22.02966 7.759066 29.78920       20.78745 17.87750       28.31553 43.71385       30.61469 19.94628 8.431085 25.23534 9.343277 -5.289057      12.58491 
1 1 1 -26 20 25 o 54.26623 4.573369 157.8786       24.06661 116.5828       33.00480 204.7672       35.16883 42.79289 8.177544 59.92891 6.079387 -17.13602      10.18976 
1 1 1 -26 20 26 o 12.24438 5.847238 -18.01706      19.62880 -27.08008      26.75597 -7.454520      28.88473 13.64967 6.596875 16.20526 7.535030 -2.555586      10.01476 
1 1 1 -26 20 27 o 19.94655 7.590108 23.20847       20.50083 24.03740       28.60463 22.33299       29.39670 20.76372 8.602948 20.52763 8.628838 0.2360897      12.18473 
1 1 1 -26 20 28 o 17.92767 7.301398 15.44193       20.15273 33.31392       27.49121 -5.318069      29.62928 22.48015 8.728156 16.52050 7.664442 5.959646       11.61569 
1 1 1 -26 20 29 o 17.10197 7.456295 8.311014       23.47287 2.210805       27.64516 24.07000       44.43353 17.02756 7.711307 21.86404 9.850541 -4.836477      12.50989 
1 1 1 -26 20 30 o 23.35177 8.669991 37.04812       26.39494 51.04000       54.56077 32.77301       30.15895 25.09310 11.13674 22.38890 8.998785 2.704197       14.31800 
1 1 1 -26 20 31 o 12.69711 6.033017 -15.60950      20.36457 -17.34016      28.73773 -13.86380      28.86237 14.95601 7.123449 15.33324 7.255229 -0.3772278     10.16769 
1 1 1 -26 20 32 o 19.37577 8.004573 19.94315       24.66541 -4.696171      31.56036 58.61000       39.53638 16.88529 7.859694 26.54669 10.42058 -9.661402      13.05233 
1 1 1 -26 20 33 o 16.26874 7.089328 6.976157       21.19577 11.75222       30.90172 2.732759       29.12759 18.76865 8.352527 17.26134 7.855774 1.507309       11.46638 
1 1 1 -26 20 34 o 17.54486 7.541203 11.70270       23.33249 12.80000       36.57485 10.94969       30.29848 19.60189 8.874171 18.54356 8.260343 1.058332       12.12370 
1 1 1 -26 20 35 o 31.53226 7.500108 64.06979       22.80982 63.41980       32.82523 64.67670       31.71913 28.36299 9.764905 28.92376 9.600412 -0.5607662     13.69384 
1 1 1 -26 20 36 o 37.15372 6.611060 83.85468       23.16120 70.38272       32.91308 97.07070       32.59895 29.81429 9.774296 36.77625 9.104759 -6.961954      13.35790 
1 1 1 -26 20 37 o 15.14495 6.832147 0.6334037      21.45425 -21.90645      30.18580 23.64251       30.49839 14.74364 7.095815 20.32988 8.677368 -5.586243      11.20925 
1 1 1 -26 20 38 o 24.54211 8.000577 41.96194       22.06615 44.20945       31.22087 39.71862       31.19164 23.88210 9.293290 22.99061 9.181831 0.8914909      13.06412 
1 1 1 -26 20 39 o 33.52041 7.302059 72.95897       23.27909 89.72567       33.53712 57.36909       32.33876 33.71977 9.663743 26.27339 9.624187 7.446386       13.63865 
1 1 1 -26 20 40 o 13.10824 6.242588 -14.05054      22.05580 -1.479125      30.99928 -26.93884      31.38755 16.51777 7.721948 14.29665 6.963875 2.221117       10.39827 
1 1 1 -26 20 41 o 22.55156 8.097864 37.16344       22.74380 50.88550       32.06067 23.26201       32.26953 24.41634 9.440471 19.64310 8.648087 4.773241       12.80281 
1 1 1 -26 21 1  f 37.15809 5.554745 75.31125       19.58424 42.90030       33.59140 92.00072       24.10480 26.06387 9.760199 40.59388 6.268117 -14.53001      11.59960 
1 1 1 -26 21 2  o 44.02105 4.829409 102.8059       20.46820 57.19486       34.25990 128.1222       25.52418 29.19226 9.978428 48.69694 5.448070 -19.50468      11.36884 
1 1 1 -26 21 3  o 30.06853 7.723058 54.44980       22.84845 24.98292       31.40220 87.60000       33.30704 22.37853 9.114168 36.96162 9.233603 -14.58309      12.97411 
1 1 1 -26 21 4  o 54.69379 4.068075 154.8763       21.62281 118.8472       35.10340 176.9047       27.44826 44.16121 8.428241 57.77826 4.899533 -13.61706      9.748880 
1 1 1 -26 21 5  o 11.74352 5.663960 -24.49029      19.47711 -54.78433      27.43911 6.275000       27.65170 12.13342 6.023623 18.48280 8.074919 -6.349385      10.07414 
1 1 1 -26 21 6  f 21.57343 6.909156 26.71920       16.50208 14.10090       27.93778 33.48070       20.45091 19.83856 8.379560 23.71113 7.700237 -3.872572      11.38028 
1 1 1 -26 21 7  o 26.94126 6.568184 41.89379       17.16176 10.37339       28.32193 60.18273       21.57353 19.25458 8.292645 32.08579 7.061030 -12.83121      10.89156 
1 1 1 -26 21 8  o 18.79891 6.950813 18.20813       16.93331 -1.658056      28.22851 29.37502       21.16396 17.39602 7.843243 22.43970 7.834640 -5.043680      11.08594 
1 1 1 -26 21 9  o 26.01123 6.889026 39.75513       17.81535 24.63791       29.62873 48.31573       22.29612 21.95373 8.885374 28.10080 7.820341 -6.147068      11.83671 
1 1 1 -26 21 10 o 15.16202 6.610275 1.997805       18.44712 -33.99000      34.56878 16.32617       21.81246 15.63652 7.542607 19.08136 7.658622 -3.444838      10.74920 
1 1 1 -26 21 11 o 16.20025 7.065280 3.241265       21.08912 21.47582       28.46406 -18.95000      31.40077 21.16805 8.656028 16.13877 7.615617 5.029272       11.52929 
1 1 1 -26 21 12 o 20.81376 7.247679 24.61720       18.10496 3.379709       28.20047 39.50870       23.61423 18.02583 8.003008 25.20325 8.280099 -7.177418      11.51556 
1 1 1 -26 21 13 o 17.15234 7.309284 7.809446       21.57784 9.004681       27.94002 6.043000       33.96648 18.79882 8.166223 19.53514 8.721148 -0.7363186     11.94762 
1 1 1 -26 21 14 o 18.82595 7.631709 15.49536       21.89781 18.06191       28.20376 11.60000       34.74615 20.39335 8.503652 20.40216 8.978354 -0.8808136E-02 12.36620 
1 1 1 -26 21 15 o 15.48211 6.938543 -1.626182      21.72383 -4.561910      27.70845 3.057000       34.99652 16.72896 7.632192 19.29693 8.713643 -2.567968      11.58352 
1 1 1 -26 21 16 o 29.02494 7.036118 50.16621       19.77975 32.36691       29.45228 64.78990       26.69598 23.25739 9.032943 31.88542 8.427538 -8.628027      12.35384 
1 1 1 -26 21 17 o 19.95724 7.596814 21.39429       20.54152 27.18000       32.83285 17.67303       26.33148 22.43102 9.247883 19.91641 8.253159 2.514610       12.39508 
1 1 1 -26 21 18 o 14.92794 6.738717 -2.944083      20.91164 17.90000       33.82293 -15.84225      26.60626 20.92085 9.036586 14.95693 7.043239 5.963924       11.45718 
1 1 1 -26 21 19 o 11.86415 5.702340 -21.62076      19.34350 -10.42338      27.79037 -32.14419      26.94107 15.87736 7.385394 13.45982 6.532262 2.417537       9.859741 
1 1 1 -26 21 20 o 15.29940 6.770966 1.181784       20.02822 24.28741       28.58818 -21.08964      28.06736 21.27662 8.684596 14.77214 7.036999 6.504478       11.17773 
1 1 1 -26 21 21 o 12.73246 6.030664 -15.98115      20.03688 -16.19086      27.76663 -15.75329      28.94280 15.14311 7.150507 15.50345 7.314498 -0.3603420     10.22896 
1 1 1 -26 21 22 f 36.88412 6.405816 78.93496       22.28841 98.03580       31.50454 59.79518       31.53664 38.96367 8.500194 28.95464 9.571384 10.00903       12.80096 
1 1 1 -26 21 23 o 35.62982 6.621985 74.94588       22.24459 64.06422       31.03671 86.44000       31.89820 29.91743 9.463257 35.55140 9.122056 -5.633961      13.14402 
1 1 1 -26 21 24 o 14.95149 6.735025 -1.201445      20.76130 -31.55600      28.72063 32.01935       30.04603 13.85132 6.727429 22.48981 9.001588 -8.638494      11.23774 
1 1 1 -26 21 25 o 16.50833 7.102926 7.988429       20.73944 18.66739       28.98377 -3.216475      29.68893 19.83153 8.461746 16.83223 7.760602 2.999296       11.48164 
1 1 1 -26 21 26 o 13.33936 6.234707 -10.48889      20.19022 -32.27562      27.45426 15.17267       29.79581 13.36549 6.510896 19.33584 8.415908 -5.970349      10.64045 
1 1 1 -26 21 27 o 22.25553 7.782705 32.00932       20.88921 31.56052       28.80571 32.50711       30.33739 22.06055 8.819215 22.27824 9.000244 -0.2176933     12.60091 
1 1 1 -26 21 28 o 12.05110 5.878997 -29.79828      22.61018 -24.17418      26.44316 -45.09000      43.60284 13.74262 6.620958 16.14392 7.935082 -2.401299      10.33453 
1 1 1 -26 21 29 f 17.63305 7.771157 8.589375       26.11984 49.63000       54.14948 -3.855423      29.81819 24.83082 11.05311 16.68773 7.723498 8.143085       13.48420 
1 1 1 -26 21 30 o 24.89048 7.921984 41.51179       21.72127 10.97823       29.99878 75.16212       31.49267 18.55065 8.244083 31.84022 9.433978 -13.28958      12.52856 
1 1 1 -26 21 31 o 14.79507 6.829851 -5.473509      23.09757 -3.453387      29.01866 -8.966000      38.15543 16.47339 7.622526 17.62163 8.339171 -1.148247      11.29799 
1 1 1 -26 21 32 o 12.63373 6.006003 -15.50364      20.23466 -2.951331      28.47596 -28.30617      28.75839 16.39762 7.574548 13.93055 6.757971 2.467070       10.15106 
1 1 1 -26 21 33 o 31.98433 7.792979 67.10060       24.17001 34.93000       37.70781 89.53579       31.48956 22.57818 9.643136 35.49454 9.040199 -12.91636      13.21799 
1 1 1 -26 21 34 f 15.86112 7.006150 4.875657       21.34499 6.793168       30.24262 2.972346       30.13043 17.89085 8.087433 17.38265 7.941236 0.5081978      11.33445 
1 1 1 -26 21 35 o 18.28214 7.486485 17.51510       21.32944 5.088561       29.97091 30.26779       30.36167 17.54407 7.978297 21.44326 8.871901 -3.899195      11.93163 
1 1 1 -26 21 36 o 22.24444 7.917650 33.31421       21.69367 17.41435       30.82509 48.91716       30.53593 19.35343 8.488647 25.18912 9.330317 -5.835690      12.61396 
1 1 1 -26 21 37 o 12.59313 6.018036 -16.56256      20.87053 -9.499604      29.93777 -23.24053      29.11040 15.72397 7.424793 14.25375 6.886913 1.470224       10.12705 
1 1 1 -26 21 38 o 13.44140 6.326275 -10.25348      21.41535 -2.979592      30.46489 -17.35888      30.10999 16.40377 7.664216 14.91197 7.153430 1.491801       10.48388 
1 1 1 -26 21 39 o 19.02619 7.745741 22.34337       22.66960 27.64054       33.07410 17.64968       31.13316 20.42734 8.879163 18.86894 8.391258 1.558405       12.21690 
1 1 1 -26 21 40 o 33.90111 7.425323 76.58810       23.95623 77.27260       34.46461 75.94820       33.32270 29.61233 10.00984 29.69931 9.839493 -0.8697319E-01 14.03612 
1 1 1 -26 22 1  o 26.12218 8.204396 42.44376       23.36751 56.06858       33.98771 30.23000       32.17965 28.65886 9.933086 23.22944 9.309558 5.429417       13.61375 
1 1 1 -26 22 2  o 101.9052 4.532290 544.6512       45.09540 0.000000       0.000000 544.6512       45.09540 ?        ?        101.9052 4.532290 ?              ?        
1 1 1 -26 22 3  o 47.48041 4.545026 118.9294       20.86551 108.8100       34.58684 124.7196       26.16265 41.61356 8.768322 47.66499 5.721833 -6.051430      10.47009 
1 1 1 -26 22 4  o 22.95394 7.220953 31.11981       18.09413 19.07480       30.06669 37.95895       22.65597 20.94860 8.760894 24.84805 8.107232 -3.899452      11.93652 
1 1 1 -26 22 5  o 16.30714 6.744497 8.622600       17.53802 18.39038       28.55359 2.705239       22.22423 20.59585 8.569608 16.42401 7.205641 4.171839       11.19640 
1 1 1 -26 22 6  o 19.46101 7.751047 17.83461       22.16793 30.04892       29.54061 2.090000       33.53905 22.96483 9.009601 19.00281 8.560095 3.962019       12.42772 
1 1 1 -26 22 7  f 61.19417 3.734037 192.7223       22.25986 148.4926       34.39165 224.6099       29.20165 50.55323 7.149509 65.26787 4.600371 -14.71463      8.501699 
1 1 1 -26 22 8  o 22.43948 7.141135 29.66253       17.65067 21.42155       28.57606 34.74612       22.44391 21.11150 8.657548 23.86298 8.077682 -2.751484      11.84070 
1 1 1 -26 22 9  o 15.49561 6.532374 6.078568       16.92456 -8.707070      27.36423 15.23854       21.53824 16.13542 7.443362 18.70593 7.573975 -2.570515      10.61926 
1 1 1 -26 22 10 o 34.44246 5.857592 66.29567       19.04148 38.72887       29.50916 85.96288       24.92499 24.71970 9.169203 38.47042 6.871309 -13.75073      11.45815 
1 1 1 -26 22 11 o 12.49686 5.927151 -17.22564      19.48251 -6.039000      33.44672 -22.97047      23.96859 17.91683 8.252166 13.46244 6.437755 4.454392       10.46628 
1 1 1 -26 22 12 o 39.38493 6.602796 89.11749       24.55441 82.15921       31.62444 99.68000       38.96325 35.40731 9.081645 37.66824 10.28193 -2.260933      13.71839 
1 1 1 -26 22 13 o 19.95637 7.895063 20.08736       22.85272 5.850183       29.26653 42.33000       36.58072 18.49924 8.186121 25.39623 10.00693 -6.896996      12.92870 
1 1 1 -26 22 14 o 20.77074 7.535081 24.63055       19.75408 14.54034       29.62560 32.70815       26.50684 19.87682 8.519733 23.15776 8.670470 -3.280945      12.15578 
1 1 1 -26 22 15 f 18.46228 7.273805 16.40947       19.32525 23.04249       28.89923 11.04408       25.99151 21.22016 8.704711 18.58669 7.973675 2.633469       11.80472 
1 1 1 -26 22 16 o 24.55799 7.946489 37.97116       21.79133 44.71000       35.85678 34.02465       27.44009 25.54336 9.953812 23.32819 8.803063 2.215176       13.28805 
1 1 1 -26 22 17 o 19.01744 7.638515 17.40591       21.71470 28.61000       34.71945 10.20743       27.82946 22.61525 9.432899 18.71376 8.139446 3.901485       12.45914 
1 1 1 -26 22 18 o 13.05962 6.134038 -13.27802      19.95376 -49.38736      28.67282 20.63179       27.78583 12.65828 6.261711 20.46133 8.478406 -7.803050      10.54004 
1 1 1 -26 22 19 f 32.06291 7.080420 62.13726       21.62678 96.67667       31.46142 31.19573       29.77774 38.61342 8.549877 22.59303 8.988386 16.02038       12.40530 
1 1 1 -26 22 20 o 15.21217 6.746754 1.072773       19.98980 17.97763       28.12437 -16.18643      28.41760 19.93707 8.413625 15.30010 7.227415 4.636971       11.09165 
1 1 1 -26 22 21 o 15.72568 6.911028 3.415426       20.52329 22.46467       29.04109 -15.58987      29.00757 20.73842 8.636783 15.45057 7.299565 5.287854       11.30830 
1 1 1 -26 22 22 o 24.32046 7.830847 38.18830       21.17843 47.01927       29.96040 29.36860       29.94126 25.73562 9.287441 21.98394 8.919534 3.751680       12.87690 
1 1 1 -26 22 23 o 16.03836 7.014875 5.248778       20.91968 9.763867       29.23910 0.5135984      29.94325 18.46913 8.177074 17.34377 7.920830 1.125362       11.38438 
1 1 1 -26 22 24 o 22.55634 7.858557 32.83981       21.28705 7.356677       29.50346 60.51041       30.74368 18.13514 8.109842 28.62688 9.449757 -10.49175      12.45261 
1 1 1 -26 22 25 o 39.00361 6.196613 89.00105       22.86696 58.46547       31.77047 121.8236       32.93869 27.78514 9.604957 43.47495 8.036304 -15.68980      12.52347 
1 1 1 -26 22 26 o 22.86438 7.905716 34.33723       21.52411 30.58431       29.68846 38.49558       31.25100 21.86702 8.878235 23.41757 9.242455 -1.550547      12.81585 
1 1 1 -26 22 27 o 24.14214 7.988292 38.79079       21.96553 34.88292       30.26103 43.14281       31.93438 22.74083 9.056492 24.35881 9.420879 -1.617983      13.06802 
1 1 1 -26 22 28 o 13.90884 6.421348 -6.365895      20.42418 -15.36649      28.21053 3.548803       29.60844 15.00779 7.122199 17.48762 7.943711 -2.479833      10.66903 
1 1 1 -26 22 29 o 30.09409 8.242112 61.49251       24.98852 83.01482       30.84980 20.43000       42.61187 34.11767 9.078980 21.08745 9.559436 13.03022       13.18373 
1 1 1 -26 22 30 o 16.58005 7.368589 5.441365       23.96770 -6.277364      29.46704 28.35000       41.19987 16.20916 7.561516 21.83327 9.684435 -5.624109      12.28677 
1 1 1 -26 22 31 o 19.38652 7.631473 21.82770       21.25660 26.32251       30.47182 17.56715       29.66709 20.92775 8.790392 19.41246 8.423937 1.515297       12.17513 
1 1 1 -26 22 32 o 19.46361 7.818689 21.75988       22.75417 6.283000       35.60842 32.44118       29.58170 18.65845 8.564753 21.97985 8.884665 -3.321398      12.34067 
1 1 1 -26 22 33 o 13.60710 6.337848 -8.230892      20.57390 -20.16818      29.25885 3.444113       28.93563 14.68536 7.046529 17.18060 7.823228 -2.495235      10.52884 
1 1 1 -26 22 34 o 18.64690 7.547575 19.23888       21.38033 -8.500139      30.06513 47.61892       30.41053 15.96011 7.506755 24.87942 9.292693 -8.919306      11.94594 
1 1 1 -26 22 35 o 11.97819 5.793387 -22.39831      20.73171 24.31651       29.69402 -66.82594      28.95798 20.30844 8.611260 11.42682 5.747800 8.881619       10.35331 
1 1 1 -26 22 36 o 12.93831 6.122198 -12.58429      20.55431 0.3262520      29.22286 -25.22506      28.91594 16.63862 7.681380 14.01860 6.794978 2.620017       10.25550 
1 1 1 -26 22 37 o 13.26998 6.265271 -11.26346      21.30537 -34.61962      30.32568 11.50045       29.93872 13.56757 6.658433 18.04973 8.112843 -4.482158      10.49538 
1 1 1 -26 22 38 o 19.06419 7.646109 22.83650       21.72449 9.175522       30.74819 36.45293       30.69802 17.67424 8.054400 21.83536 8.965887 -4.161119      12.05241 
1 1 1 -26 22 39 o 25.90197 8.037194 48.75554       22.49667 61.90138       31.77941 35.55048       31.85090 26.79082 9.577852 21.50556 9.007071 5.285261       13.14772 
1 1 1 -26 23 1  o 29.32514 8.239970 54.33904       24.62631 33.98863       34.31141 75.96000       35.36628 23.87321 9.597293 32.90486 10.05361 -9.031651      13.89903 
1 1 1 -26 23 2  o 61.87375 3.972836 198.6474       23.93384 117.1493       37.83652 253.0092       30.90183 42.26330 9.390124 69.21428 4.587114 -26.95098      10.45065 
1 1 1 -26 23 3  o 40.88402 5.302296 91.05930       20.71963 53.78315       33.82407 113.4482       26.21357 27.90592 9.891168 44.97879 6.112039 -17.07287      11.62722 
1 1 1 -26 23 4  o 36.73374 5.880972 75.36334       20.43256 29.28521       32.21627 106.3710       26.42790 22.86994 9.261964 43.24808 6.438997 -20.37814      11.28028 
1 1 1 -26 23 5  o 56.65577 4.195142 167.7507       23.09963 111.8621       35.55924 208.5540       30.38354 41.76205 8.966869 62.36910 5.019296 -20.60705      10.27609 
1 1 1 -26 23 6  o 28.71802 7.002416 49.00023       19.50369 15.38976       30.18614 73.08648       25.55377 20.18321 8.624291 34.63448 7.733496 -14.45127      11.58384 
1 1 1 -26 23 7  o 35.48195 5.987031 70.78085       20.05416 31.19739       30.69100 100.2736       26.49183 23.09156 9.144958 41.69474 6.719545 -18.60318      11.34824 
1 1 1 -26 23 8  o 35.95436 5.751947 71.99203       19.56087 45.87423       30.20213 90.86384       25.67297 26.27147 9.343108 39.49448 6.891532 -13.22301      11.60978 
1 1 1 -26 23 9  o 23.32312 7.322227 32.77879       18.61444 -3.055082      28.94752 58.04293       24.30618 17.18283 7.824473 30.43008 8.040827 -13.24725      11.21950 
1 1 1 -26 23 10 o 27.32885 7.962005 46.92577       22.59290 24.58345       30.17040 75.45000       34.08975 21.69534 8.896247 32.86148 9.834539 -11.16614      13.26127 
1 1 1 -26 23 11 o 27.03003 8.102342 46.34011       23.12458 31.87004       29.29335 70.27000       37.67071 23.03296 8.990704 30.86074 10.46485 -7.827784      13.79659 
1 1 1 -26 23 12 o 20.78021 7.992597 24.01526       22.89432 -4.937599      29.13654 70.74000       37.01397 16.90716 7.755884 30.96973 10.37294 -14.06257      12.95189 
1 1 1 -26 23 13 o 16.20705 7.042585 4.859956       20.79379 -22.45000      35.22578 19.46565       25.76091 16.48093 7.860064 20.04153 8.219552 -3.560600      11.37285 
1 1 1 -26 23 14 o 29.43785 7.780417 54.38259       22.75400 54.03000       37.59109 54.58648       28.58560 27.18611 10.29345 28.30226 9.096367 -1.116146      13.73678 
1 1 1 -26 23 15 o 18.74510 8.047406 12.13899       26.50991 -3.112000      35.55962 31.22000       39.77488 18.38620 8.482884 23.27940 9.922112 -4.893200      13.05403 
1 1 1 -26 23 16 o 24.61014 7.882353 38.52443       21.47799 -18.69393      31.35772 89.08945       29.47826 15.81656 7.506872 37.32992 8.283969 -21.51336      11.17932 
1 1 1 -26 23 17 o 32.90332 6.899927 64.81068       21.51138 51.46281       30.82820 77.47700       30.03084 26.97422 9.453032 33.91562 8.926304 -6.941406      13.00149 
1 1 1 -26 23 18 o 28.43050 7.590454 50.81910       21.51909 57.08826       30.55006 44.64542       30.31648 28.36026 9.422095 25.40557 9.316433 2.954695       13.25035 
1 1 1 -26 23 19 o 12.97026 6.101621 -13.13264      19.87940 -8.074283      27.78009 -18.44150      28.45965 15.94752 7.406439 14.99852 7.128099 0.9490032      10.27936 
1 1 1 -26 23 20 o 13.16781 6.193317 -12.94121      20.46336 -38.55578      28.98950 12.49762       28.88988 13.37740 6.553757 18.92174 8.260465 -5.544340      10.54453 
1 1 1 -26 23 21 o 17.54336 7.304255 13.05196       20.76334 16.03266       29.05773 9.942295       29.67973 19.39935 8.377611 18.55905 8.226565 0.8402958      11.74141 
1 1 1 -26 23 22 o 17.51834 7.327372 12.87302       21.03671 14.16554       29.29328 11.49655       30.22962 19.08208 8.324428 18.81910 8.324074 0.2629776      11.77227 
1 1 1 -26 23 23 o 21.81626 7.838000 30.51610       21.31069 18.15441       29.58569 43.84573       30.72215 19.69282 8.478458 24.58549 9.306326 -4.892668      12.58936 
1 1 1 -26 23 24 o 14.48465 6.632463 -4.043500      21.17661 -0.6768185E-01 29.16438 -8.477467      30.79893 16.96301 7.773342 16.33715 7.656698 0.6258564      10.91100 
1 1 1 -26 23 25 o 15.90551 7.179747 0.8477504      23.73597 -16.90910      28.25088 43.47000       43.76907 14.89141 7.084239 24.06950 10.33690 -9.178085      12.53148 
1 1 1 -26 23 26 o 25.27364 8.898928 45.68818       27.34220 15.43000       56.09317 55.11808       31.31426 21.74562 10.23591 26.98200 9.521424 -5.236376      13.97968 
1 1 1 -26 23 27 o 62.36636 4.336501 208.9418       26.30767 189.4422       36.83821 229.2370       37.58229 55.81961 6.888228 62.51989 6.223859 -6.700287      9.283540 
1 1 1 -26 23 28 o 21.49739 8.234857 30.03432       24.23565 41.01101       29.75559 8.401000       41.77288 23.80896 9.123514 19.72051 9.132188 4.088444       12.90873 
1 1 1 -26 23 29 o 21.91434 7.956446 31.74384       22.03120 9.339377       30.01018 57.93261       32.44582 18.21543 8.159991 27.13626 9.680387 -8.920824      12.66078 
1 1 1 -26 23 30 o 18.35841 7.483540 17.59809       21.19358 3.946321       29.32628 32.52261       30.66287 17.36849 7.895939 21.98736 8.986784 -4.618866      11.96278 
1 1 1 -26 23 31 o 14.05874 6.551651 -8.279327      22.03132 -6.100000      34.39732 -9.795242      28.68804 17.12795 8.047686 15.59808 7.335334 1.529869       10.88909 
1 1 1 -26 23 32 o 18.63559 7.465483 19.46280       20.68508 22.29958       28.84220 16.45839       29.68212 19.92717 8.469692 19.06557 8.346963 0.8616028      11.89149 
1 1 1 -26 23 33 o 19.09622 7.559988 21.45388       20.96747 24.36123       29.48389 18.47907       29.82398 20.27281 8.587770 19.34169 8.419151 0.9311199      12.02630 
1 1 1 -26 23 34 o 14.63673 6.640875 -0.8056769     20.61818 -3.395805      28.79867 1.918074       29.53218 16.21407 7.533909 16.98806 7.798682 -0.7739925     10.84340 
1 1 1 -26 23 35 o 21.94718 7.863385 33.09074       21.43274 12.08194       30.18644 54.44841       30.43604 18.25425 8.180152 26.04685 9.365873 -7.792603      12.43521 
1 1 1 -26 23 36 o 19.18498 7.647696 22.86455       21.59901 -3.731923      30.96500 48.06740       30.14282 16.34736 7.666543 24.41906 9.223818 -8.071699      11.99394 
1 1 1 -26 23 37 o 16.79786 7.241238 12.22699       21.63387 6.254588       30.64768 18.15843       30.54242 17.25811 7.930724 18.80287 8.339391 -1.544758      11.50834 
1 1 1 -26 23 38 o 17.52680 7.418783 16.07999       21.97498 36.11745       31.52202 -2.865300      30.65091 21.56190 8.990378 16.16727 7.596457 5.394634       11.77001 
1 1 1 -26 24 1  o 59.13253 4.108146 182.6683       23.63033 123.2172       38.41025 218.8719       29.97387 43.20628 9.353865 64.00594 4.819685 -20.79966      10.52255 
1 1 1 -26 24 2  o 20.51940 7.394421 24.01390       18.98350 8.363717       32.65748 32.00088       23.32997 19.43064 8.620267 22.89176 8.203776 -3.461123      11.90004 
1 1 1 -26 24 3  o 26.91621 7.326445 44.15088       19.81548 63.16962       32.83658 33.25837       24.85026 30.01019 9.758072 23.22246 8.447420 6.787731       12.90654 
1 1 1 -26 24 4  o 39.08492 5.674603 84.89450       21.07559 31.02415       34.02236 118.4383       26.84701 23.12850 9.461286 45.80803 6.142182 -22.67953      11.28017 
1 1 1 -26 24 5  o 50.77734 4.565349 136.9624       22.44882 83.57203       35.47346 172.6272       28.99289 34.43930 9.960149 56.27060 5.327288 -21.83130      11.29533 
1 1 1 -26 24 6  o 36.07800 6.054145 73.73380       20.62309 48.91125       33.58946 88.75262       26.12750 26.56912 9.795691 38.64503 7.171095 -12.07591      12.14002 
1 1 1 -26 24 7  o 34.06360 6.340827 66.78983       20.36403 56.26252       32.34909 73.69995       26.20875 28.29729 9.695510 34.37904 7.947390 -6.081751      12.53650 
1 1 1 -26 24 8  o 22.92409 7.683175 32.28768       20.30654 19.42512       31.61348 41.32250       26.49527 20.80932 8.856757 25.11404 8.766218 -4.304722      12.46149 
1 1 1 -26 24 9  o 34.20251 7.285976 70.75341       23.64486 31.39189       31.40062 122.3000       35.93372 22.85839 9.184008 43.55819 8.732336 -20.69980      12.67279 
1 1 1 -26 24 10 o 23.29039 8.053750 33.99394       22.33794 19.08682       29.31919 54.62000       34.48762 20.39787 8.598337 27.51687 9.959826 -7.119009      13.15787 
1 1 1 -26 24 11 f 17.80124 7.182833 14.15011       19.29640 33.71807       29.13302 -1.144653      25.75634 23.20310 8.991576 16.49400 7.459030 6.709103       11.68270 
1 1 1 -26 24 12 o 21.27107 7.582672 27.03232       19.90408 -7.568358      29.25960 56.83509       27.15529 16.50164 7.642068 29.06973 8.794930 -12.56810      11.65127 
1 1 1 -26 24 13 f 43.47683 5.758138 106.2003       23.90262 47.08000       38.03506 144.7886       30.72865 25.62122 10.16969 50.09706 6.413404 -24.47584      12.02308 
1 1 1 -26 24 14 o 17.08085 7.321024 8.701080       21.87396 9.537000       34.63774 8.146581       28.21098 19.57635 8.768343 18.29303 8.068554 1.283319       11.91576 
1 1 1 -26 24 15 o 46.38543 5.594101 120.1252       24.88684 112.9000       40.26297 124.5923       31.65887 39.24838 10.33852 45.30861 7.393242 -6.060226      12.71004 
1 1 1 -26 24 16 o 24.45793 8.570478 39.74111       25.34022 62.23230       31.18634 -3.962000      43.47247 29.42293 9.505195 19.40900 9.096459 10.01393       13.15653 
1 1 1 -26 24 17 o 20.83182 7.802615 26.03868       21.47037 7.176440       29.74294 46.56205       31.02499 18.29956 8.165824 25.54118 9.414743 -7.241613      12.46267 
1 1 1 -26 24 18 o 31.27319 7.305000 60.92477       21.95523 50.29587       31.21009 71.33753       30.89113 26.24350 9.478035 31.54157 9.342926 -5.298075      13.30877 
1 1 1 -26 24 19 o 22.03263 7.814795 31.04204       21.11692 60.67012       29.56405 0.1810237      30.17292 28.89626 9.247106 17.30130 7.920209 11.59496       12.17533 
1 1 1 -26 24 20 o 14.09887 6.505880 -6.510547      20.92833 -8.526070      29.25436 -4.397716      29.95223 16.05894 7.505495 16.67957 7.727090 -0.6206264     10.77220 
1 1 1 -26 24 21 o 26.26493 7.900889 45.82579       21.96016 43.43879       30.66897 48.33731       31.45879 24.46580 9.289680 25.46281 9.463025 -0.9970131     13.26073 
1 1 1 -26 24 22 o 18.15602 7.488448 15.98292       21.53993 19.05384       30.13501 12.77496       30.80000 19.80201 8.541387 18.93631 8.387774 0.8656998      11.97122 
1 1 1 -26 24 23 o 29.45235 7.805224 57.01337       22.86015 56.84566       31.48133 57.20044       33.24933 27.29164 9.553495 27.07664 9.782263 0.2150002      13.67340 
1 1 1 -26 24 24 o 20.74864 7.917939 26.72143       22.35044 1.790430       30.44816 55.85051       32.91202 17.43880 7.972996 26.86005 9.728604 -9.421251      12.57833 
1 1 1 -26 24 25 o 17.68700 7.360929 14.37839       21.07384 17.64352       29.12892 10.79255       30.52597 19.38623 8.379950 18.54508 8.274180 0.8411522      11.77649 
1 1 1 -26 24 26 o 24.63944 7.936719 41.00880       21.75351 44.49734       30.14505 37.21822       31.42293 24.48553 9.229621 22.92763 9.195733 1.557899       13.02872 
1 1 1 -26 24 27 o 18.44330 7.761948 16.38773       23.83155 -1.675221      28.54731 57.92000       43.28761 16.50970 7.611189 25.77345 10.62155 -9.263758      13.06704 
1 1 1 -26 24 28 o 29.01818 7.749099 55.83295       22.42488 27.19446       31.26671 86.16920       32.18015 21.03878 8.874496 34.18560 9.349428 -13.14681      12.89064 
1 1 1 -26 24 29 o 19.62501 7.889332 22.59126       23.18534 -2.273000      34.79099 42.45596       31.09711 17.55602 8.198548 23.84698 9.276197 -6.290955      12.37999 
1 1 1 -26 24 30 o 22.80799 8.229151 35.79888       23.51998 17.85000       35.60359 49.69693       31.32939 19.93534 8.912300 25.31562 9.436716 -5.380285      12.98001 
1 1 1 -26 24 31 o 20.76931 7.741852 28.06703       21.08606 25.60501       29.66273 30.58204       29.98019 20.48548 8.642631 21.38186 8.828315 -0.8963852     12.35452 
1 1 1 -26 24 32 o 20.39795 7.705173 26.74134       21.03465 -5.243012      29.74709 58.72742       29.74790 16.18761 7.566547 27.49756 9.299674 -11.30996      11.98902 
1 1 1 -26 24 33 o 15.33475 6.824368 3.729361       20.62877 -1.890459      29.07460 9.426291       29.27338 16.37930 7.596664 17.84563 8.021556 -1.466330      11.04784 
1 1 1 -26 24 34 o 17.60907 7.314156 15.88740       20.74875 6.950628       29.21412 24.98383       29.47393 17.37564 7.891977 20.08980 8.551206 -2.714157      11.63643 
1 1 1 -26 24 35 o 19.74716 7.702103 25.46321       21.48454 16.20071       30.41541 34.68723       30.35216 18.64236 8.292025 21.62283 8.900807 -2.980465      12.16479 
1 1 1 -26 24 36 o 13.56653 6.323259 -6.125131      20.53485 -13.43508      28.53026 1.732358       29.57947 14.71707 7.033908 16.50763 7.658307 -1.790559      10.39834 
1 1 1 -26 24 37 o 12.51892 6.000045 -15.88791      21.07708 -22.43127      29.22725 -8.797850      30.42373 14.03460 6.809474 15.49119 7.364452 -1.456594      10.03016 
1 1 1 -26 25 1  o 56.31993 4.211589 166.9974       23.04932 152.6875       37.99145 175.3327       28.99530 49.50694 8.121306 56.58904 5.296196 -7.082104      9.695634 
1 1 1 -26 25 2  o 40.18168 5.537215 89.73154       21.19999 3.055725       34.68069 141.4439       26.78775 18.91634 8.594489 50.58775 5.498177 -31.67141      10.20271 
1 1 1 -26 25 3  o 21.56951 7.624122 27.97126       20.08447 -25.15768      32.91078 59.50048       25.35299 15.64898 7.499499 30.29129 8.304369 -14.64231      11.18951 
1 1 1 -26 25 4  o 27.37309 7.346729 46.21463       20.09400 48.83027       33.27643 44.71352       25.20896 26.31948 9.741655 26.03827 8.555155 0.2812176      12.96497 
1 1 1 -26 25 5  o 38.13541 5.803088 81.87205       20.97956 62.08855       34.09110 93.93134       26.61646 29.17891 9.954288 39.66006 7.117857 -10.48115      12.23731 
1 1 1 -26 25 6  o 19.79060 7.431084 21.88176       19.49991 9.095148       31.93108 29.48649       24.62509 19.18439 8.516732 22.05443 8.335544 -2.870045      11.91705 
1 1 1 -26 25 7  o 29.29996 8.023104 55.06165       23.68075 9.343639       31.93616 110.9000       35.29437 19.19456 8.519542 40.83607 9.066259 -21.64151      12.44105 
1 1 1 -26 25 8  o 22.48075 8.220059 31.50940       23.57471 4.423010       31.30188 67.01000       35.83544 18.38434 8.276614 29.86077 10.20533 -11.47643      13.13968 
1 1 1 -26 25 9  o 15.67761 6.879830 3.344311       20.27088 -2.718460      30.66675 8.048848       27.01411 17.32547 7.951173 18.04996 7.930828 -0.7244892     11.23028 
1 1 1 -26 25 10 o 26.04383 7.464502 42.59286       20.00874 10.86199       29.88837 68.36234       26.93482 18.97539 8.339606 32.22516 8.440351 -13.24978      11.86543 
1 1 1 -26 25 11 o 16.48941 7.086516 7.287737       20.59805 12.39000       35.11295 4.610663       25.43408 19.97993 8.896799 17.15389 7.608963 2.826033       11.70681 
1 1 1 -26 25 12 o 18.75515 7.566936 17.24738       21.41283 8.215000       33.66603 23.38381       27.74909 19.20866 8.620879 20.80128 8.530959 -1.592627      12.12835 
1 1 1 -26 25 13 o 14.36253 6.540943 -4.104685      20.23654 -26.41474      30.01448 14.48965       27.40128 14.66635 7.062942 19.08421 8.187086 -4.417857      10.81266 
1 1 1 -26 25 14 o 22.64052 7.827617 32.63897       21.10075 13.15056       30.83204 49.80857       28.93972 19.31482 8.480112 26.48849 9.166571 -7.173668      12.48753 
1 1 1 -26 25 15 o 54.23750 4.657363 158.9051       24.48639 122.9448       35.33020 192.1458       33.96792 43.06961 8.680685 57.82261 6.093058 -14.75301      10.60564 
1 1 1 -26 25 16 o 34.22762 6.803415 70.84748       21.99034 43.72179       31.10186 97.96334       31.09623 24.65826 9.356814 38.39877 8.498386 -13.74051      12.64012 
1 1 1 -26 25 17 o 20.66313 7.943951 26.06382       22.60931 53.91000       34.92605 5.977069       29.66344 26.32132 9.931747 17.90174 8.058414 8.419577       12.78975 
1 1 1 -26 25 18 f 21.12220 8.193670 27.80486       24.21094 44.57736       28.67787 -13.81000      45.17230 24.90614 9.072480 18.44010 8.823436 6.466040       12.65555 
1 1 1 -26 25 19 o 15.09216 6.768390 0.7419701      20.70991 12.00062       27.93049 -13.00709      30.86541 18.41619 8.078834 15.88076 7.510859 2.535432       11.03089 
1 1 1 -26 25 20 f 48.19760 5.258585 130.1271       24.40655 74.43927       33.33655 194.4582       35.83036 31.02829 9.806714 57.15405 6.521239 -26.12576      11.77702 
1 1 1 -26 25 21 o 28.50082 7.760646 53.50037       22.22897 37.37667       30.24594 72.43866       32.77972 23.08154 9.097938 30.71914 9.726422 -7.637600      13.31825 
1 1 1 -26 25 22 o 27.99108 8.541052 54.75209       25.53610 58.39162       31.48073 47.75000       43.66523 27.63248 9.560628 24.54610 10.42664 3.086380       14.14639 
1 1 1 -26 25 23 o 14.00807 6.724253 -21.04084      26.70436 -60.76000      56.19143 -9.453065      30.35080 17.17331 8.541478 16.05122 7.547335 1.122087       11.39821 
1 1 1 -26 25 24 o 20.34516 7.799816 25.77125       21.75448 -13.58944      29.47120 72.89500       32.24678 15.40002 7.299945 30.76670 9.634319 -15.36669      12.08757 
1 1 1 -26 25 25 o 27.38953 8.516253 53.10653       25.24397 26.66813       30.20155 114.4000       45.98527 20.90078 8.763405 35.43217 11.54954 -14.53139      14.49790 
1 1 1 -26 25 26 o 15.88486 7.180681 1.574865       23.84165 -1.373768      28.62917 8.247000       43.06562 16.52326 7.619114 19.67418 9.165696 -3.150921      11.91893 
1 1 1 -26 25 27 o 23.35696 7.947448 37.08201       21.72863 53.29672       29.73113 18.49197       31.83442 26.39623 9.280749 19.66063 8.624856 6.735592       12.66967 
1 1 1 -26 25 28 o 14.34453 6.656490 -6.587111      22.36856 11.78000       33.71382 -21.03071      29.89684 18.94450 8.553674 14.74592 7.087883 4.198581       11.10871 
1 1 1 -26 25 29 o 18.95103 7.551690 20.81271       21.05256 -1.952440      28.80940 46.89985       30.83985 16.40196 7.591408 24.61124 9.322298 -8.209280      12.02226 
1 1 1 -26 25 30 o 15.13987 6.781502 2.287609       20.72121 -14.60489      28.41996 21.45921       30.27650 14.90629 7.095307 19.78346 8.547522 -4.877171      11.10871 
1 1 1 -26 25 31 f 12.33022 5.894472 -16.64183      20.05994 5.579005       28.17666 -39.48006      28.56541 17.18056 7.782390 12.88617 6.351068 4.294394       10.04498 
1 1 1 -26 25 32 o 12.67698 6.003222 -12.61866      19.83655 -14.57779      27.67203 -10.54776      28.45041 14.64201 6.978438 15.22653 7.204299 -0.5845165     10.02998 
1 1 1 -26 25 33 o 15.58639 6.896935 5.727934       20.77272 -25.33556      29.29358 37.14811       29.46128 14.00313 6.799550 22.22538 8.907498 -8.222256      11.20613 
1 1 1 -26 25 34 o 21.37328 7.822250 32.06856       21.35551 27.83094       29.97093 36.43899       30.43698 20.30355 8.631904 21.81876 8.939875 -1.515211      12.42703 
1 1 1 -26 25 35 o 15.41939 6.862910 5.861997       20.86925 -31.95425      28.79905 47.67877       30.28407 13.19641 6.478789 23.78240 9.180576 -10.58599      11.23644 
1 1 1 -26 25 36 f 24.10062 8.654583 46.47767       25.97892 50.12411       30.56622 36.99000       49.30451 24.08082 9.242076 21.23047 9.862382 2.850355       13.51601 
1 1 1 -26 26 1  o 37.23737 6.094618 79.64935       21.44648 53.05261       33.46520 98.18542       27.93753 26.92202 9.801467 40.09683 7.390448 -13.17481      12.27548 
1 1 1 -26 26 2  o 40.71967 5.655708 93.18656       21.93456 11.59417       33.49290 154.4621       29.02495 19.62069 8.715794 52.42220 5.750827 -32.80151      10.44208 
1 1 1 -26 26 3  o 47.20446 4.956562 121.3506       22.56060 79.00031       34.49078 153.0202       29.82613 32.83240 9.907284 51.91021 5.979091 -19.07781      11.57168 
1 1 1 -26 26 4  o 28.30402 7.492687 50.29645       21.08073 51.12086       32.57758 49.70256       27.65010 26.57528 9.671298 26.82149 8.965051 -0.2462139     13.18735 
1 1 1 -26 26 5  o 40.35049 6.795954 96.50360       25.88862 67.17271       34.30629 135.3000       39.45543 29.99587 9.985090 44.66848 9.325614 -14.67261      13.66269 
1 1 1 -26 26 6  o 16.61723 7.311335 4.849020       23.03115 -24.41309      30.37404 44.43000       35.32589 14.95900 7.178284 25.03134 9.842747 -10.07234      12.18226 
1 1 1 -26 26 7  o 23.82879 8.311787 37.08845       23.81714 10.90997       31.61364 71.45000       36.21918 19.20861 8.503642 30.54512 10.26132 -11.33651      13.32691 
1 1 1 -26 26 8  o 23.77218 7.855682 36.26345       21.24441 -21.04112      31.64938 83.25645       28.66072 15.55194 7.426217 35.73541 8.345631 -20.18347      11.17131 
1 1 1 -26 26 9  o 22.96202 7.815347 33.67126       21.01250 10.59525       31.99583 51.17125       27.86326 19.13893 8.509295 27.01483 8.998883 -7.875904      12.38499 
1 1 1 -26 26 10 o 13.11188 6.203143 -15.00518      21.08244 18.62000       34.40525 -35.22202      26.67775 20.52792 8.986886 12.94866 6.331736 7.579257       10.99341 
1 1 1 -26 26 11 o 22.46682 7.969717 32.42004       21.96303 48.70000       37.69038 24.04963       27.02572 25.38653 10.10820 20.64736 8.437780 4.739168       13.16708 
1 1 1 -26 26 12 f 18.09805 7.404216 15.57805       20.83904 18.98559       31.19708 12.83259       28.00273 20.11300 8.683143 18.71514 8.152069 1.397860       11.91021 
1 1 1 -26 26 13 f 32.63720 7.065250 65.75628       21.91525 57.87503       32.35225 72.43929       29.79154 27.57945 9.682445 31.90789 9.096441 -4.328434      13.28514 
1 1 1 -26 26 14 o 16.14690 7.047649 6.208329       21.02009 -16.45556      30.52635 26.64431       28.98714 15.49817 7.370362 21.08292 8.690483 -5.584747      11.39503 
1 1 1 -26 26 15 o 17.34652 7.280043 12.51711       20.87300 9.276908       30.39765 15.40795       28.71217 18.43590 8.238965 19.10106 8.288039 -0.6651592     11.68641 
1 1 1 -26 26 16 o 12.62412 6.007190 -16.12246      20.34032 -18.85006      28.71493 -13.37554      28.81646 14.79756 7.068072 15.36420 7.263780 -0.5666409     10.13509 
1 1 1 -26 26 17 o 16.60382 7.134098 9.163229       20.86683 6.280833       28.92952 12.28923       30.12721 17.68950 7.960897 18.72514 8.294875 -1.035643      11.49699 
1 1 1 -26 26 18 o 13.44178 6.341152 -12.86058      21.74220 -25.04000      31.39260 -1.632406      30.14176 14.85723 7.171915 16.89441 7.800090 -2.037184      10.59612 
1 1 1 -26 26 19 o 24.65928 8.049293 41.22716       22.33206 44.46157       31.24557 37.84945       31.93016 24.46128 9.355214 23.10817 9.269135 1.353111       13.16954 
1 1 1 -26 26 20 o 16.19414 7.523482 -5.186727      28.70187 -5.186727      28.70187 0.000000       0.000000 16.19414 7.523482 ?        ?        ?              ?        
1 1 1 -26 26 21 o 18.98364 8.190550 16.58280       27.72451 43.61000       58.99418 8.921674       31.40907 23.76836 10.95173 18.36259 8.276685 5.405769       13.72749 
1 1 1 -26 26 22 o 23.01685 7.980298 35.87029       21.93857 22.70382       30.02852 50.94371       32.12958 20.18874 8.613495 25.54893 9.549926 -5.360197      12.86054 
1 1 1 -26 26 23 o 19.74160 7.751241 23.44068       21.87999 47.34489       30.18549 -3.023175      31.76052 24.98479 9.272532 16.95053 7.888214 8.034264       12.17390 
1 1 1 -26 26 24 o 16.61135 7.418620 5.458127       24.60217 -1.334033      29.13642 22.33000       45.92126 16.60175 7.666369 21.21032 9.732474 -4.608568      12.38928 
1 1 1 -26 26 25 o 13.44026 6.339025 -12.17931      21.70559 -13.64758      29.56368 -10.46229      31.97002 15.35432 7.287915 16.18209 7.650593 -0.8277617     10.56623 
1 1 1 -26 26 26 o 24.81521 8.019953 42.46854       22.20026 17.89011       30.51077 70.12146       32.36284 19.37632 8.473326 29.79526 9.687371 -10.41894      12.87021 
1 1 1 -26 26 27 o 22.64626 8.289814 35.66263       23.98665 24.58000       35.96152 44.54513       32.19470 20.74607 9.131704 24.02659 9.411724 -3.280519      13.11368 
1 1 1 -26 26 28 o 15.52246 6.893166 4.334390       20.93335 -12.82887      28.75978 23.67263       30.52771 15.14563 7.188653 20.12784 8.638287 -4.982206      11.23818 
1 1 1 -26 26 29 o 20.50550 7.757855 27.43560       21.34248 49.20889       29.90184 4.824245       30.47187 25.05991 9.241812 17.42531 7.970334 7.634598       12.20399 
1 1 1 -26 26 30 o 19.11955 7.572687 22.00567       21.04692 23.84537       29.12306 19.99438       30.45099 20.00370 8.506842 19.48311 8.493555 0.5205879      12.02110 
1 1 1 -26 26 31 o 12.56160 5.978930 -14.22193      20.17492 1.325124       28.61081 -29.59810      28.45314 16.52447 7.618591 13.47188 6.577105 3.052588       10.06485 
1 1 1 -26 26 32 o 22.74476 7.840163 36.62349       21.16249 22.51024       29.96418 50.66931       29.89251 19.51199 8.466578 24.88733 9.229094 -5.375341      12.52434 
1 1 1 -26 26 33 o 16.08236 6.991876 9.643523       20.51661 37.26697       28.54864 -19.86107      29.50471 21.94632 8.777676 14.35461 6.935097 7.591707       11.18674 
1 1 1 -26 26 34 o 12.78479 6.071498 -11.85528      20.57183 -38.00501      28.35293 17.21461       29.89414 12.63109 6.244326 18.37125 8.192925 -5.740157      10.30124 
1 1 1 -26 26 35 o 15.76013 7.400731 -1.906576      29.01629 -1.906576      29.01629 0.000000       0.000000 15.76013 7.400731 ?        ?        ?              ?        
1 1 1 -26 27 1  o 43.33405 5.354098 104.8292       22.22772 53.88373       34.24584 141.9155       29.21877 26.63393 9.878010 49.54772 6.157088 -22.91379      11.63979 
1 1 1 -26 27 2  o 35.16963 6.485662 73.26215       21.50452 12.91934       33.20815 116.8411       28.22087 19.52457 8.675562 44.30508 6.717885 -24.78051      10.97248 
1 1 1 -26 27 3  o 32.68677 7.014210 65.39500       21.76982 40.11281       33.16702 84.53150       28.85563 23.92149 9.496104 35.74287 8.392112 -11.82137      12.67295 
1 1 1 -26 27 4  o 26.16893 8.418588 46.60964       24.48047 6.167975       31.26426 110.7000       39.35772 18.30724 8.254134 38.32241 10.28042 -20.01517      13.18400 
1 1 1 -26 27 5  o 16.52648 7.297809 5.092914       23.14214 4.912523       30.33689 5.344000       35.79108 17.96310 8.111953 18.91569 8.646731 -0.9525909     11.85621 
1 1 1 -26 27 6  f 20.03765 7.620543 23.72302       20.65845 9.336590       31.12723 35.04815       27.61757 18.66773 8.340282 22.89032 8.785038 -4.222589      12.11351 
1 1 1 -26 27 7  o 13.94580 6.432184 -6.521746      20.42199 -15.59639      31.23854 0.2512033      26.98764 15.79585 7.495752 16.63040 7.565928 -0.8345480     10.65033 
1 1 1 -26 27 8  f 24.51278 8.136609 40.41046       22.78386 29.85000       38.09912 46.28965       28.42708 22.14903 9.579004 25.35971 9.059465 -3.210678      13.18451 
1 1 1 -26 27 9  o 22.67400 8.121103 34.04338       22.85863 22.86000       37.83511 40.47203       28.68590 21.12413 9.329494 23.91586 9.005957 -2.791733      12.96714 
1 1 1 -26 27 10 o 15.54968 7.180538 -4.876942      25.56049 -40.75351      32.35182 54.72000       41.69704 13.96346 6.857675 25.74327 10.49571 -11.77981      12.53745 
1 1 1 -26 27 11 o 41.99718 7.297614 109.6013       28.91090 70.10211       36.22508 178.9000       47.98193 29.39858 10.25097 48.93793 10.34104 -19.53934      14.56089 
1 1 1 -26 27 12 o 29.96996 7.635560 58.24296       22.45928 67.10661       33.96345 51.35493       29.94008 29.19747 9.936111 26.24596 9.305654 2.951508       13.61328 
1 1 1 -26 27 13 o 24.93684 8.009966 42.06530       22.16756 16.14821       32.97086 63.44547       29.94627 19.62723 8.686844 29.16543 9.303855 -9.538197      12.72882 
1 1 1 -26 27 14 o 13.55786 6.370880 -11.38134      21.56589 -19.06455      32.25217 -5.168027      29.00341 15.54934 7.444355 16.23262 7.548683 -0.6832762     10.60194 
1 1 1 -26 27 15 o 44.30385 5.716338 112.7786       24.21222 87.34727       35.03673 136.0247       33.49761 33.53088 9.954626 46.15914 7.683961 -12.62826      12.57529 
1 1 1 -26 27 16 o 20.83299 7.884839 27.50821       22.05194 49.29638       32.25557 8.387697       30.21649 25.32124 9.546675 18.14810 8.154273 7.173138       12.55513 
1 1 1 -26 27 17 o 14.09405 6.534737 -7.109337      21.48878 -9.364767      30.49937 -4.886051      30.28125 16.10327 7.569921 16.54048 7.699051 -0.4372101     10.79718 
1 1 1 -26 27 18 o 30.98369 7.622778 62.49487       22.95709 50.35843       32.71006 74.27605       32.22776 25.46294 9.610702 31.17804 9.610396 -5.715094      13.59137 
1 1 1 -26 27 19 o 18.22017 7.760476 15.12892       24.30282 28.88865       30.12026 -10.54000      41.13938 21.23330 8.815392 17.79478 8.488767 3.438522       12.23807 
1 1 1 -26 27 20 o 15.72058 7.085340 1.813407       23.01321 -7.334000      34.42711 9.202680       30.94229 16.97449 7.999011 18.26084 8.224285 -1.286352      11.47271 
1 1 1 -26 27 21 o 17.38270 7.352170 13.08484       21.55483 -2.351155      29.58624 30.54556       31.46686 16.56922 7.677278 21.52761 8.979789 -4.958389      11.81428 
1 1 1 -26 27 22 o 20.35961 8.245667 25.74918       25.53533 18.26968       30.19265 44.54000       47.85616 19.39360 8.455944 23.55622 10.44367 -4.162615      13.43775 
1 1 1 -26 27 23 o 15.61550 7.169094 -1.842127      24.96248 -9.097849      29.71421 15.56000       46.01771 15.82348 7.448808 20.51097 9.528091 -4.687487      12.09418 
1 1 1 -26 27 24 o 18.21884 7.570923 16.92731       22.24568 -9.037447      30.31285 47.23209       32.74840 15.93547 7.508294 24.50494 9.522900 -8.569476      12.12683 
1 1 1 -26 27 25 o 30.56846 8.192757 64.48682       25.01006 44.01000       37.54492 80.82150       33.53322 23.58961 9.821889 31.95230 9.794762 -8.362688      13.87108 
1 1 1 -26 27 26 o 19.19049 7.858625 21.47694       23.50331 8.511000       35.18538 31.92384       31.58304 18.52569 8.507466 21.51083 8.986332 -2.985147      12.37462 
1 1 1 -26 27 27 o 12.33628 5.935094 -19.42514      21.07434 -49.00674      28.70201 15.17789       31.04264 12.27322 6.104363 18.82956 8.376081 -6.556338      10.36446 
1 1 1 -26 27 28 o 19.20411 7.585591 22.38492       21.06612 28.67625       29.01013 15.36649       30.64068 20.84029 8.651751 18.81016 8.347157 2.030138       12.02197 
1 1 1 -26 27 29 o 25.37392 7.870811 45.12552       21.57683 23.04449       29.56975 70.27175       31.55545 19.72329 8.483695 29.39800 9.566312 -9.674707      12.78622 
1 1 1 -26 27 30 f 20.72878 7.700049 29.21300       20.82444 17.93096       28.23904 42.66195       30.83191 18.69078 8.163119 23.12213 9.163106 -4.431343      12.27188 
1 1 1 -26 27 31 o 18.21180 7.361437 19.74874       20.30760 11.45516       28.39425 28.43324       29.05575 17.60626 7.908204 20.32451 8.563087 -2.718254      11.65616 
1 1 1 -26 27 32 o 13.24665 6.195649 -6.951527      19.99495 -7.507949      27.55207 -6.332420      29.06261 15.02417 7.102907 15.44452 7.299647 -0.4203434     10.18509 
1 1 1 -26 27 33 o 11.92509 5.756713 -18.60557      20.23023 -6.748365      27.95306 -31.64658      29.31527 15.13984 7.156636 13.28926 6.526837 1.850579       9.685920 
1 1 1 -26 28 1  o 34.57917 7.075671 74.07880       23.14131 9.324702       35.92781 119.9913       30.25259 19.18315 8.728196 43.95352 7.286815 -24.77037      11.37010 
1 1 1 -26 28 2  o 19.61077 8.611340 16.60302       31.80451 16.60302       31.80451 0.000000       0.000000 19.61077 8.611340 ?        ?        ?              ?        
1 1 1 -26 28 3  o 20.16038 8.740351 20.26463       31.87691 20.26463       31.87691 0.000000       0.000000 20.16038 8.740351 ?        ?        ?              ?        
1 1 1 -26 28 4  o 42.21019 5.941571 103.2199       23.87004 36.24608       34.21852 166.7009       33.31432 22.86668 9.435602 52.85480 6.581508 -29.98812      11.50421 
1 1 1 -26 28 5  o 17.50212 7.359376 13.04846       21.39395 7.080264       32.07322 17.83252       28.71569 18.34278 8.306542 19.42720 8.358355 -1.084415      11.78392 
1 1 1 -26 28 6  o 25.29187 8.249509 43.93734       23.45904 16.62000       37.96743 60.80614       29.83556 20.25290 9.116806 28.55612 9.302630 -8.303223      13.02517 
1 1 1 -26 28 7  o 31.08469 7.945703 64.08452       24.26519 53.04000       39.61289 70.71766       30.69889 25.44892 10.28331 30.84415 9.355274 -5.395229      13.90208 
1 1 1 -26 28 8  o 28.63215 8.176270 55.90652       24.04932 -13.17000      38.65564 99.52728       30.71810 17.29633 8.244732 38.47927 8.392565 -21.18295      11.76481 
1 1 1 -26 28 9  o 33.27896 7.311695 70.20432       23.16545 60.92260       34.65966 77.69834       31.14349 27.43624 9.976907 32.43975 9.317416 -5.003513      13.65111 
1 1 1 -26 28 10 o 41.08951 6.229374 99.84934       24.26961 19.88418       36.14650 165.4897       32.74925 20.34493 9.045012 52.61554 6.496735 -32.27061      11.13642 
1 1 1 -26 28 11 o 16.33862 7.195187 6.290852       22.35159 1.245199       34.00396 10.12954       29.65940 17.84628 8.255527 18.26139 8.151195 -0.4151039     11.60154 
1 1 1 -26 28 12 o 14.01652 6.533268 -8.469817      21.92521 -20.31294      32.68758 1.216336       29.56143 15.50516 7.442012 17.07143 7.824166 -1.566274      10.79820 
1 1 1 -26 28 13 o 24.04690 8.119081 39.55127       22.67411 25.80901       34.13733 50.39994       30.33114 21.04522 9.084345 25.76863 9.338519 -4.723417      13.02817 
1 1 1 -26 28 14 o 13.23470 6.262763 -13.81366      21.51421 11.94060       31.70348 -35.79737      29.29091 18.82345 8.412981 13.46158 6.593484 5.361875       10.68889 
1 1 1 -26 28 15 o 15.40446 6.912954 1.744345       21.64277 11.06411       31.16157 -6.940834      30.08196 18.58898 8.322107 16.21293 7.588338 2.376051       11.26234 
1 1 1 -26 28 16 o 39.82296 6.298378 94.60304       23.73537 130.5987       35.22757 64.67628       32.12088 43.85783 8.513031 28.59139 9.663500 15.26644       12.87847 
1 1 1 -26 28 17 o 11.56252 5.715158 -38.96345      23.71736 -69.17830      29.85362 12.74000       39.05230 11.56501 5.819770 19.63461 8.996661 -8.069597      10.71493 
1 1 1 -26 28 18 o 14.22218 6.791165 -17.37266      26.46622 -17.00000      57.48033 -17.47292      29.81468 19.29791 9.405306 15.04077 7.189130 4.257135       11.83822 
1 1 1 -26 28 19 o 19.51357 7.764599 22.81336       22.22487 57.40899       32.05294 -9.220487      30.84337 26.78139 9.613727 16.02887 7.558864 10.75252       12.22948 
1 1 1 -26 28 20 o 16.15008 7.100884 6.667017       21.68979 -9.863072      30.50031 23.57904       30.85066 15.88319 7.498233 20.23810 8.684704 -4.354915      11.47378 
1 1 1 -26 28 21 o 16.16305 7.363778 1.273472       25.67965 -22.16443      30.40079 59.65000       47.97828 14.71052 7.090263 25.27673 10.83836 -10.56622      12.95152 
1 1 1 -26 28 22 o 37.18188 9.038104 99.67114       32.56885 60.41000       41.25689 164.6000       53.05593 25.93091 10.48862 41.77541 12.20982 -15.84450      16.09630 
1 1 1 -26 28 23 o 14.42197 6.677575 -5.381770      22.32287 -19.04647      30.69331 9.962389       32.52485 15.01915 7.209444 18.41951 8.350671 -3.400359      11.03222 
1 1 1 -26 28 24 o 21.66476 8.836692 33.09731       29.57253 28.40000       37.58643 40.73000       47.91215 21.09950 9.309552 22.75209 10.24165 -1.652592      13.84049 
1 1 1 -26 28 25 o 15.20883 6.875689 1.397129       21.86504 -0.1245409E-01 29.94609 3.006664       31.99963 16.69727 7.732155 17.38736 8.030954 -0.6900883     11.14820 
1 1 1 -26 28 26 o 18.70494 7.591840 20.18998       21.69993 27.68237       29.72092 11.63599       31.75680 20.63808 8.675840 18.39709 8.304551 2.240992       12.00982 
1 1 1 -26 28 27 o 19.76538 7.691064 25.16756       21.38289 10.36040       28.97927 42.86432       31.68097 17.75652 7.981359 23.24324 9.263252 -5.486721      12.22743 
1 1 1 -26 28 28 f 13.81487 6.396714 -4.820888      20.48737 14.62319       28.07766 -26.96091      29.96100 18.15146 8.025846 13.98355 6.809668 4.167906       10.52548 
1 1 1 -26 28 29 o 15.91808 6.964909 8.455698       20.63993 6.412312       28.30385 10.77639       30.16333 16.92270 7.717959 17.74700 8.044197 -0.8243008     11.14791 
1 1 1 -26 28 30 o 15.54314 6.857485 7.158322       20.39063 -4.665208      27.54272 21.49795       30.33208 15.34762 7.208077 19.09772 8.397056 -3.750096      11.06648 
1 1 1 -26 28 31 f 16.53774 7.051497 13.19816       20.10334 22.16951       27.81434 3.385493       29.08932 18.87699 8.174239 16.40913 7.606374 2.467865       11.16580 
1 1 1 -26 28 32 o 16.39743 7.286406 10.22199       23.42773 16.33889       27.43837 -6.235000      45.00572 17.82068 7.903996 17.42246 8.452464 0.3982277      11.57226 
1 1 1 -26 29 1  o 51.03318 7.755748 167.3119       37.52427 24.97000       66.84750 232.8000       45.34192 22.54767 10.77384 59.93336 7.922909 -37.38570      13.37341 
1 1 1 -26 29 2  o 50.62350 7.517474 162.4079       36.12091 136.0000       65.79646 173.8000       43.21531 32.87538 13.26415 49.69938 9.222908 -16.82400      16.15548 
1 1 1 -26 29 3  o 40.33830 6.088929 95.67142       23.29371 32.85406       35.37055 143.7809       30.95402 22.10566 9.386873 48.78362 6.655815 -26.67796      11.50710 
1 1 1 -26 29 4  o 44.05394 5.736731 111.9061       24.15046 36.00690       35.71434 175.8519       32.78162 22.60357 9.506780 54.56614 6.250300 -31.96257      11.37739 
1 1 1 -26 29 5  o 15.93781 7.082852 4.298211       22.14244 -30.67000      35.41479 26.74099       28.37176 15.25569 7.423394 20.80540 8.589064 -5.549706      11.35248 
1 1 1 -26 29 6  o 16.43427 7.265411 6.143408       23.00021 13.05000       37.38761 1.938122       29.17384 19.59768 8.911706 17.06218 7.802156 2.535492       11.84450 
1 1 1 -26 29 7  o 16.63596 7.228964 8.569715       21.90897 0.7083839      32.51637 15.10598       29.64961 17.52197 8.093983 18.96746 8.322115 -1.445492      11.60905 
1 1 1 -26 29 8  o 20.77646 7.890044 27.47666       22.12570 25.05015       32.55172 29.56043       30.16529 20.78587 8.920364 21.42380 8.851538 -0.6379299     12.56673 
1 1 1 -26 29 9  o 16.71423 7.279365 8.516303       22.32073 32.35981       33.11759 -11.32997      30.21434 21.99111 9.195603 15.78801 7.456233 6.203097       11.83869 
1 1 1 -26 29 10 o 16.85738 7.246544 10.15433       21.54946 -9.668543      30.47810 29.97056       30.47299 16.00680 7.537840 21.48989 8.889387 -5.483093      11.65505 
1 1 1 -26 29 11 o 16.67375 7.214466 9.254170       21.63181 -2.411393      30.97187 20.36445       30.22576 16.85136 7.824200 19.79354 8.546070 -2.942177      11.58678 
1 1 1 -26 29 12 o 37.27339 6.571619 84.41335       23.10019 49.84294       32.96139 117.7821       32.38348 25.07990 9.604454 42.04277 8.163501 -16.96286      12.60509 
1 1 1 -26 29 13 o 23.33551 8.126324 37.76262       22.76102 16.66763       32.01188 59.33087       32.36897 19.32903 8.556989 27.17333 9.671563 -7.844305      12.91360 
1 1 1 -26 29 14 o 17.79899 8.137163 5.202445       31.70841 5.202445       31.70841 0.000000       0.000000 17.79899 8.137163 ?        ?        ?              ?        
1 1 1 -26 29 15 o 19.59690 8.073609 22.28292       25.00026 7.636235       31.38080 47.73000       41.36311 18.04160 8.188512 24.06693 10.18229 -6.025335      13.06640 
1 1 1 -26 29 16 o 19.37029 8.238722 20.26853       27.32335 -4.818000      59.45107 26.98648       30.76506 20.02021 9.713213 20.76182 8.782599 -0.7416058     13.09506 
1 1 1 -26 29 17 o 14.77668 6.731078 -1.288021      21.44551 -22.27667      30.16078 20.17414       30.49911 14.62770 7.053318 19.62930 8.529451 -5.001605      11.06801 
1 1 1 -26 29 18 o 13.61431 6.398242 -10.47129      21.76394 -29.38525      30.91017 8.124666       30.64921 14.22807 6.926033 17.93871 8.122154 -3.710647      10.67424 
1 1 1 -26 29 19 o 18.43533 7.678757 17.87196       22.96060 -15.37247      31.51895 55.46103       33.51530 15.52066 7.411176 25.96022 9.743361 -10.43956      12.24168 
1 1 1 -26 29 20 o 27.55011 8.876545 56.72960       27.20926 42.91687       32.43777 89.52000       49.97865 23.54622 9.376783 29.05470 11.61623 -5.508488      14.92852 
1 1 1 -26 29 21 o 26.32211 8.187824 49.05220       23.33174 53.75005       32.45265 44.02596       33.56771 25.66313 9.596765 23.60829 9.492043 2.054836       13.49803 
1 1 1 -26 29 22 o 36.89798 6.832570 85.15580       23.76845 51.43272       33.23283 120.4702       34.00789 24.92163 9.618002 41.37098 8.675608 -16.44934      12.95269 
1 1 1 -26 29 23 o 15.17577 6.979654 -1.838502      23.80670 6.518000       35.71381 -8.521175      31.93736 18.24689 8.447744 16.12401 7.630155 2.122883       11.38348 
1 1 1 -26 29 24 o 42.76310 6.635972 112.7116       26.87689 82.95000       40.66087 135.8053       35.81749 29.64393 10.80222 44.06957 8.612174 -14.42564      13.81511 
1 1 1 -26 29 25 o 13.57593 6.383667 -9.568707      21.71644 -12.01637      29.14684 -6.514400      32.55906 15.14881 7.203559 16.34977 7.727136 -1.200960      10.56409 
1 1 1 -26 29 26 o 23.19771 8.561680 40.80771       25.67115 37.81400       30.91245 47.46000       46.08015 22.11860 9.029800 22.96088 10.21001 -0.8422813     13.63017 
1 1 1 -26 29 27 o 15.58078 6.941907 5.740207       21.40922 -20.11672      29.14186 36.05964       31.55653 14.26841 6.893173 21.61864 9.003187 -7.350236      11.33901 
1 1 1 -26 29 28 o 13.38130 6.272594 -7.491334      20.68726 5.734787       28.41799 -22.40175      30.17324 16.71938 7.665992 14.22662 6.906404 2.492754       10.31823 
1 1 1 -26 29 29 o 20.00656 7.705878 28.17757       21.30232 25.94963       29.23787 30.69840       31.10037 19.54607 8.421999 20.33600 8.723123 -0.7899227     12.12530 
1 1 1 -26 29 30 o 15.24283 6.820145 5.525287       20.89624 -5.267804      28.54959 17.97905       30.66743 15.33681 7.244583 18.40350 8.246201 -3.066689      10.97651 
1 1 1 -26 30 1  o 14.26469 6.571501 -4.711314      21.22678 -35.80117      32.38844 18.69700       28.10384 14.16085 6.935441 19.25965 8.277317 -5.098793      10.79881 
1 1 1 -26 30 2  o 14.97408 6.792707 -0.5060983     21.55989 -30.55805      33.96245 19.77947       27.90334 14.89054 7.251082 19.41954 8.294710 -4.528997      11.01728 
1 1 1 -26 30 3  o 27.92338 9.223231 59.43433       29.28592 0.000000       0.000000 59.43433       29.28592 ?        ?        27.92338 9.223231 ?              ?        
1 1 1 -26 30 4  o 28.51294 9.353628 62.65826       30.13898 0.000000       0.000000 62.65826       30.13898 ?        ?        28.51294 9.353628 ?              ?        
1 1 1 -26 30 5  o 17.25045 7.357274 12.34394       21.89456 40.35800       33.13371 -9.369527      29.17068 23.18141 9.391170 15.66292 7.375435 7.518487       11.94115 
1 1 1 -26 30 6  o 19.81238 7.846664 24.06709       22.59624 -17.94982      33.60136 58.75550       30.53072 15.77185 7.563516 27.38788 9.417886 -11.61602      12.07905 
1 1 1 -26 30 7  o 32.33612 8.704839 74.66956       28.15829 77.01870       34.73961 70.17000       48.07912 30.62674 10.04192 26.68710 11.11339 3.939646       14.97823 
1 1 1 -26 30 8  o 39.91309 9.514994 118.0772       36.64620 118.0772       36.64620 0.000000       0.000000 39.91309 9.514994 ?        ?        ?              ?        
1 1 1 -26 30 9  o 22.33077 8.049024 34.13210       22.49491 -26.39301      31.27656 98.99194       32.37719 14.56523 7.061579 37.13473 9.002068 -22.56950      11.44129 
1 1 1 -26 30 10 o 36.11279 8.087589 87.69528       27.87606 41.25319       33.29806 196.5000       50.96674 23.29588 9.422789 49.61977 10.80087 -26.32389      14.33345 
1 1 1 -26 30 11 o 28.02662 7.927414 53.68105       22.71564 53.61864       32.55950 53.74024       31.70699 25.77604 9.617850 25.93532 9.524878 -0.1592789     13.53611 
1 1 1 -26 30 12 o 18.49559 7.606412 18.57604       22.13914 -30.17997      31.72444 64.86197       30.91038 14.34495 6.990461 28.68521 9.475610 -14.34027      11.77513 
1 1 1 -26 30 13 o 19.40848 8.127412 21.43363       25.92684 21.97465       31.94786 20.39000       44.37227 19.97657 8.704380 20.67573 9.516345 -0.6991558     12.89678 
1 1 1 -26 30 14 o 27.01101 9.267210 56.89747       29.55674 45.11000       64.00818 60.09204       33.32206 23.32980 10.96682 26.96256 9.785718 -3.632755      14.69801 
1 1 1 -26 30 15 o 21.30140 7.936304 30.47402       22.15331 0.9493927      31.13172 60.76105       31.53111 17.09839 7.905900 27.48374 9.565009 -10.38535      12.40938 
1 1 1 -26 30 16 o 28.55371 7.863043 55.62995       22.67227 42.99704       32.76353 67.23796       31.40638 23.48851 9.400348 29.05089 9.549242 -5.562382      13.39980 
1 1 1 -26 30 17 o 22.78735 8.090240 36.28316       22.63653 16.57802       31.59933 57.05473       32.44313 19.11980 8.481071 26.39257 9.644187 -7.272772      12.84285 
1 1 1 -26 30 18 o 13.87996 6.629121 -16.44439      25.24579 -0.4830126     30.01206 -55.07000      46.68726 16.68860 7.732502 15.68902 7.800322 0.9995823      10.98347 
1 1 1 -26 30 19 o 12.34163 6.059141 -33.19044      25.18935 -32.97366      29.82313 -33.73000      47.05130 13.59380 6.657176 16.76923 8.242527 -3.175427      10.59515 
1 1 1 -26 30 20 o 22.18187 8.049421 34.60898       22.54519 35.58294       31.28135 33.55622       32.52228 21.95117 9.036002 21.58778 9.075317 0.3633862      12.80667 
1 1 1 -26 30 21 o 18.85074 7.875077 20.26651       24.25495 1.513000       36.29953 35.39325       32.60112 17.76131 8.320364 21.87147 9.132989 -4.110151      12.35475 
1 1 1 -26 30 22 f 31.07894 7.776064 65.63597       23.59525 29.52378       32.54462 105.6525       34.25879 20.90304 8.943939 37.32800 9.386967 -16.42495      12.96569 
1 1 1 -26 30 23 o 18.54841 7.644605 20.06053       22.42546 21.59784       30.95671 18.36294       32.53058 19.46086 8.522049 19.12470 8.536577 0.3361568      12.06227 
1 1 1 -26 30 24 o 26.45618 8.097919 50.73018       22.93188 64.82999       31.93403 35.71801       32.95101 27.56133 9.623751 21.60752 9.112177 5.953810       13.25324 
1 1 1 -26 30 25 o 15.00870 6.803467 2.127926       21.58060 -18.17761      28.87146 27.83686       32.48654 14.34533 6.913087 20.22293 8.795023 -5.877594      11.18674 
1 1 1 -26 30 26 o 23.47953 8.346585 42.38897       24.10068 34.99000       36.12436 48.32391       32.35358 21.10818 9.225538 23.52701 9.366093 -2.418823      13.14664 
1 1 1 -26 30 27 o 16.95090 7.268577 14.43780       21.57952 -5.494557      28.90375 39.54121       32.43704 15.38015 7.272353 21.71193 9.091269 -6.331783      11.64209 
1 1 1 -26 30 28 o 21.68767 8.304262 36.50786       24.63900 42.51234       29.94814 23.93000       43.34467 22.39123 8.978459 19.70427 9.184934 2.686962       12.84429 
1 1 1 -26 31 1  o 15.41041 7.284945 -10.73789      28.97194 -8.164000      39.13258 -13.86000      43.09903 17.49755 8.327915 17.62650 8.482137 -0.1289539     11.88700 
1 1 1 -26 31 2  o 34.96759 9.260430 90.99992       32.19297 45.54000       43.59891 145.5000       47.73752 23.50235 10.20532 40.37559 11.51617 -16.87324      15.38736 
1 1 1 -26 31 3  o 25.77665 8.092974 46.58910       22.73913 -32.73136      34.17853 109.5807       30.45804 14.69291 7.180834 40.61882 7.945426 -25.92591      10.70954 
1 1 1 -26 31 4  o 24.26028 8.760412 43.76091       26.66161 7.395000       62.82627 51.74856       29.44445 20.83743 10.07994 25.75934 9.218108 -4.921909      13.65938 
1 1 1 -26 31 5  o 19.33249 8.212284 20.62094       27.08938 5.504000       61.85540 24.20840       30.13277 20.65439 9.993898 20.17105 8.617815 0.4833450      13.19639 
1 1 1 -26 31 6  f 29.68401 8.994715 66.07639       28.38764 8.695000       63.81674 80.23164       31.69626 20.93346 10.13425 32.27513 9.438418 -11.34167      13.84871 
1 1 1 -26 31 7  f 27.12146 8.198577 51.94621       23.60454 -30.99457      34.62675 123.9465       32.26225 14.89098 7.266810 43.26785 7.909043 -28.37687      10.74055 
1 1 1 -26 31 8  o 24.82234 8.140587 43.56939       22.82931 9.958827       33.46993 72.81039       31.21856 18.47590 8.413375 30.50702 9.468146 -12.03112      12.66612 
1 1 1 -26 31 9  f 26.13641 8.238485 48.60043       23.54168 6.916469       34.25655 85.90334       32.40637 18.22125 8.377476 33.45573 9.470450 -15.23448      12.64403 
1 1 1 -26 31 10 o 38.43516 6.931448 92.39960       25.11789 10.38065       36.77629 164.1116       34.38799 18.91424 8.690229 51.17865 7.051785 -32.26440      11.19141 
1 1 1 -26 31 11 o 29.37034 8.927797 64.55752       27.93657 38.32786       34.78694 112.2000       46.88319 22.54034 9.424836 33.66169 11.66631 -11.12135      14.99767 
1 1 1 -26 31 12 f 14.42329 6.905047 -17.37955      27.74406 -52.08000      61.48580 -8.508047      31.08894 17.77085 8.854285 16.02529 7.566808 1.745554       11.64710 
1 1 1 -26 31 13 o 13.15263 6.251866 -14.31329      21.91084 -35.11002      30.98362 6.491482       30.98960 13.76018 6.748322 17.67346 8.066295 -3.913280      10.51689 
1 1 1 -26 31 14 o 15.85983 7.073997 4.828470       22.29512 -2.526202      31.57151 12.14465       31.48878 16.71782 7.808063 18.44704 8.303370 -1.729223      11.39789 
1 1 1 -26 31 15 o 15.69342 7.024850 4.114548       22.19573 -3.415190      31.08344 11.94834       31.70481 16.49743 7.718940 18.40027 8.302626 -1.902843      11.33647 
1 1 1 -26 31 16 o 14.67117 6.886577 -8.055204      25.08060 -20.89470      30.40557 19.28000       44.36498 14.64866 7.068020 20.25537 9.390772 -5.606715      11.75345 
1 1 1 -26 31 17 o 17.05917 7.608662 8.913383       25.79024 -11.81338      30.54678 60.36000       48.12581 15.47804 7.364211 24.66767 10.71660 -9.189635      13.00297 
1 1 1 -26 31 18 o 13.41944 6.320933 -10.23912      21.45476 -1.315629      29.29984 -20.55507      31.50305 16.31365 7.586635 14.88683 7.185790 1.426820       10.44953 
1 1 1 -26 31 19 o 12.63902 6.103966 -21.14480      22.80408 7.546000       32.90800 -47.64983      31.62965 17.90864 8.225367 13.02086 6.464717 4.887778       10.46180 
1 1 1 -26 31 20 o 28.43547 8.372635 59.02125       24.86929 41.51000       36.57814 74.07435       33.91376 22.58491 9.566169 29.34865 9.929487 -6.763739      13.78790 
1 1 1 -26 31 21 o 18.42348 7.556406 20.09312       21.77355 16.08925       29.39977 24.95702       32.40386 18.41436 8.173685 19.92327 8.721896 -1.508913      11.95327 
1 1 1 -26 31 22 o 19.25793 7.691366 24.05810       21.88778 24.32070       29.38023 23.73060       32.81118 19.59905 8.443629 19.68030 8.690096 -0.8124733E-01 12.11663 
1 1 1 -26 31 23 o 16.11859 7.075310 9.298100       21.45265 34.87063       28.68458 -23.15985      32.31635 21.33334 8.702447 14.61695 7.107730 6.716387       11.23621 
1 1 1 -26 31 24 o 27.38315 7.875189 54.22292       22.23475 47.91463       29.84013 62.09747       33.33944 23.69025 9.121453 25.99200 9.725523 -2.301750      13.33367 
1 1 1 -26 31 25 o 12.64042 6.037839 -13.40292      20.95643 -11.45252      27.95164 -15.90659      31.66897 14.55779 6.958989 14.88943 7.191389 -0.3316412     10.00718 
1 1 1 -26 31 26 o 20.37782 7.809253 30.26537       21.80136 -5.748456      29.03560 76.80934       33.00866 15.30796 7.253219 29.05496 9.796155 -13.74701      12.18909 
1 1 1 -26 32 1  o 31.10949 8.296344 68.06512       25.72566 0.000000       0.000000 68.06512       25.72566 ?        ?        31.10949 8.296344 ?              ?        
1 1 1 -26 32 2  o 32.64481 8.630802 76.58965       27.99399 44.25000       63.93659 84.25965       31.13720 23.03631 10.86940 33.42588 9.218657 -10.38957      14.25228 
1 1 1 -26 32 3  o 23.07387 9.654026 42.38471       36.53410 60.86000       64.35726 33.60000       44.37779 24.24864 11.26557 21.88352 9.853146 2.365124       14.96655 
1 1 1 -26 32 4  o 48.22866 5.322829 132.8403       24.71025 84.13686       35.28709 179.7029       34.61378 31.73172 10.09691 54.04504 6.685568 -22.31332      12.10968 
1 1 1 -26 32 5  o 17.64926 7.485578 14.76242       22.44758 -66.11537      33.43842 81.11145       30.28645 12.52036 6.281179 32.91912 9.096877 -20.39877      11.05470 
1 1 1 -26 32 6  o 22.51778 8.720633 37.18488       27.39106 26.05000       62.89222 39.79135       30.42852 21.77845 10.41821 22.88145 9.091621 -1.102997      13.82739 
1 1 1 -26 32 7  o 33.03489 8.690871 78.79335       28.47528 -14.60000      64.02586 101.8215       31.79264 19.59274 9.627308 37.75684 8.770594 -18.16410      13.02338 
1 1 1 -26 32 8  o 38.01832 7.992595 97.45982       28.79757 106.6000       63.91156 95.13139       32.25774 28.39971 12.34373 35.75829 9.172370 -7.358583      15.37856 
1 1 1 -26 32 9  o 20.95288 8.469509 29.87148       26.88162 13.19208       33.39716 60.56000       45.30096 18.75356 8.486015 25.12971 10.64504 -6.376156      13.61357 
1 1 1 -26 32 10 o 22.78681 8.887178 39.11985       28.60328 69.79000       62.29718 30.92709       32.19774 24.90391 11.39300 21.17726 8.972754 3.726648       14.50209 
1 1 1 -26 32 11 o 25.56320 8.162259 47.01434       23.04405 23.84830       33.91070 66.89100       31.41107 20.10301 8.857354 28.59252 9.555300 -8.489508      13.02906 
1 1 1 -26 32 12 o 21.17544 8.001362 31.06934       22.68696 -2.534387      32.47638 63.09753       31.70591 16.73032 7.847820 27.52557 9.590746 -10.79525      12.39236 
1 1 1 -26 32 13 o 27.25756 8.175077 53.38131       23.53674 24.39408       33.19095 82.70292       33.38183 20.07193 8.805951 31.72528 9.781287 -11.65335      13.16124 
1 1 1 -26 32 14 o 12.19820 5.921168 -23.53400      22.16556 -32.50862      29.94465 -12.65669      32.96645 13.58501 6.656585 15.82750 7.563643 -2.242492      10.07565 
1 1 1 -26 32 15 o 22.90160 8.705215 39.75714       26.94917 28.04714       32.25330 66.84000       49.05042 20.55876 8.851869 25.25788 10.89596 -4.699120      14.03843 
1 1 1 -26 32 16 f 19.43384 7.847101 23.85487       23.04837 18.91788       31.10943 29.86231       34.31672 19.11721 8.450680 20.87733 9.059826 -1.760113      12.38929 
1 1 1 -26 32 17 o 25.62952 8.040336 47.35605       22.44876 28.24512       30.68663 69.35833       32.92624 20.43053 8.711731 28.41897 9.780084 -7.988445      13.09749 
1 1 1 -26 32 18 o 16.86100 7.424483 10.84488       23.79330 16.68000       35.46762 6.070028       32.08388 18.99154 8.653072 17.40558 8.040132 1.585964       11.81183 
1 1 1 -26 32 19 o 20.36178 7.878355 28.84937       22.34002 12.39042       30.39442 48.18871       32.94683 17.90703 8.099975 23.63149 9.437016 -5.724463      12.43651 
1 1 1 -26 32 20 o 19.40284 7.698771 25.17961       21.79052 7.539419       28.96458 48.18308       33.07595 17.01598 7.778415 23.46059 9.425871 -6.444605      12.22092 
1 1 1 -26 32 21 f 17.62804 7.400340 17.57005       21.57821 30.14732       29.08781 2.178473       32.17803 20.30255 8.561586 16.75899 7.845322 3.543560       11.61249 
1 1 1 -26 32 22 o 21.62600 7.951039 34.98687       22.10436 12.14472       29.48280 64.30843       33.40364 17.47742 7.934253 26.22190 9.750000 -8.744474      12.57040 
1 1 1 -26 32 23 o 13.16429 6.231027 -9.326895      21.32235 -15.74804      28.12062 -0.6417046     32.70457 14.13094 6.812986 16.33101 7.726068 -2.200070      10.30092 
1 1 1 -26 32 24 o 19.91176 8.096535 29.22104       24.73417 36.94518       29.40637 10.54000       45.73164 21.19752 8.746945 18.54119 8.873444 2.656330       12.45982 
1 1 1 -26 33 1  o 29.58543 8.032266 61.46355       23.85354 -64.64000      61.54288 83.75687       25.87626 17.05000 8.549040 35.33120 7.700296 -18.28120      11.50568 
1 1 1 -26 33 2  o 34.29240 7.392623 77.35790       24.08282 -21.03000      61.89183 94.91248       26.14314 18.86555 9.307630 38.30924 7.237002 -19.44370      11.79009 
1 1 1 -26 33 3  o 23.22251 8.188252 39.19691       23.15553 18.57000       62.31928 42.50076       24.94111 20.95592 10.11318 23.82168 8.488486 -2.865757      13.20344 
1 1 1 -26 33 4  o 20.57861 8.477912 28.88790       27.56620 69.46000       63.79437 19.57304       30.56727 24.44715 11.30853 19.16470 8.427921 5.282442       14.10364 
1 1 1 -26 33 5  o 13.61746 6.586545 -22.24526      26.80474 -79.14000      62.60224 -9.472897      29.66125 16.64791 8.384071 15.47302 7.331288 1.174893       11.13734 
1 1 1 -26 33 6  o 18.08061 7.922973 15.03530       26.79756 -1.737000      62.45475 18.81988       29.66726 19.81170 9.687733 18.96034 8.321621 0.8513603      12.77112 
1 1 1 -26 33 7  o 36.22870 10.49270 112.7773       39.34232 45.47000       62.30966 157.4000       50.73434 22.63586 10.69549 39.96730 12.00598 -17.33144      16.07909 
1 1 1 -26 33 8  o 28.26314 9.157847 63.37178       28.93554 54.50000       61.22673 65.92311       32.83359 23.29533 10.87789 27.74711 9.753184 -4.451782      14.61004 
1 1 1 -26 33 9  o 29.58458 9.128746 68.61082       29.06928 46.90000       59.48478 75.42229       33.31873 22.71192 10.64323 29.81110 9.837414 -7.099182      14.49320 
1 1 1 -26 33 10 o 18.57861 7.734081 19.90018       23.27367 3.345746       32.96273 36.35696       32.86536 17.35609 8.063066 21.83963 9.148350 -4.483534      12.19448 
1 1 1 -26 33 11 o 18.21256 7.602194 18.40705       22.57550 4.928582       31.38778 32.85242       32.49411 17.30557 7.979093 21.26364 9.011857 -3.958073      12.03659 
1 1 1 -26 33 12 o 27.53352 8.165966 54.71669       23.58646 55.12941       32.70480 54.26936       34.04834 25.35067 9.600567 24.95808 9.706960 0.3925877      13.65269 
1 1 1 -26 33 13 o 27.22849 8.884558 58.08954       27.20854 46.03410       32.43158 86.74000       49.99682 23.44968 9.363427 27.38628 11.36263 -3.936600      14.72356 
1 1 1 -26 33 14 o 15.87172 7.332240 0.6604798      26.69145 -27.15765      31.46128 72.11000       50.42106 14.19955 6.928802 25.21411 10.96144 -11.01456      12.96771 
1 1 1 -26 33 15 o 19.18518 7.818490 23.81168       23.12583 11.89207       31.02154 38.72204       34.69576 17.89090 8.128536 21.83885 9.286120 -3.947954      12.34120 
1 1 1 -26 33 16 o 16.17736 7.304537 6.291255       24.58858 -16.98000      35.81718 27.03477       33.81604 15.72275 7.606987 20.04100 8.836906 -4.318247      11.66007 
1 1 1 -26 33 17 o 22.00959 8.412019 37.38182       25.25188 27.75000       37.30302 45.52898       34.30781 20.12449 9.049737 22.75012 9.423398 -2.625629      13.06515 
1 1 1 -26 33 18 o 19.29180 7.752848 25.33556       22.38229 7.120703       30.93285 45.35212       32.42664 17.08338 7.892467 22.75192 9.263361 -5.668541      12.16967 
1 1 1 -26 33 19 o 13.45857 6.333674 -7.559771      21.45524 -20.92299      29.06724 8.435623       31.80136 13.95088 6.773958 17.25041 7.981215 -3.299536      10.46835 
1 1 1 -26 33 20 o 24.78117 8.097369 47.24956       22.59684 50.53111       30.87312 43.46313       33.16315 23.62848 9.227989 22.01896 9.204206 1.609518       13.03354 
1 1 1 -26 33 21 o 12.53824 6.017630 -14.88681      21.36541 -20.55266      28.43589 -7.541716      32.37674 13.76970 6.689223 15.61769 7.472133 -1.847987      10.02888 
1 1 1 -26 33 22 o 14.79497 7.070051 -8.668946      28.80058 -8.668946      28.80058 0.000000       0.000000 14.79497 7.070051 ?        ?        ?              ?        
1 1 1 -26 34 1  f 28.57391 8.092715 58.38179       23.65722 35.30000       59.53521 62.70977       25.77992 21.76321 10.33343 29.06692 8.515375 -7.303715      13.38998 
1 1 1 -26 34 2  o 33.21099 7.542340 74.01877       23.95748 35.40000       60.40162 81.22853       26.09816 21.77651 10.35936 34.33356 7.926198 -12.55706      13.04381 
1 1 1 -26 34 3  o 23.99789 8.285954 42.79480       23.64111 -45.28000      60.03760 58.95745       25.71899 17.50421 8.725895 27.99509 8.577236 -10.49089      12.23561 
1 1 1 -26 34 4  o 16.04418 7.175653 6.248911       23.10524 13.79000       60.17073 4.944647       25.02368 20.38388 9.861526 16.20689 7.338423 4.176991       12.29236 
1 1 1 -26 34 5  o 15.00704 7.087214 -8.349235      27.29425 -47.66000      59.42553 2.160889       30.72708 17.30635 8.635758 16.80022 7.797969 0.5061321      11.63549 
1 1 1 -26 34 6  o 16.21758 7.452450 2.637532       27.06120 2.665000       58.58783 2.630083       30.51087 19.56288 9.525739 16.78949 7.785225 2.773390       12.30242 
1 1 1 -26 34 7  o 23.70830 8.956631 45.48874       28.42417 -28.98000      59.88499 67.14452       32.29371 18.04270 8.947160 27.82512 9.680218 -9.782429      13.18174 
1 1 1 -26 34 8  o 29.35224 8.253635 63.04901       24.69859 1.914000       59.16385 75.95185       27.18029 19.43444 9.487229 32.04526 8.519385 -12.61082      12.75098 
1 1 1 -26 34 9  o 18.24210 7.706634 19.13609       23.63783 2.613000       58.12766 22.40983       25.87378 19.36609 9.442866 19.00755 8.048008 0.3585415      12.40718 
1 1 1 -26 34 10 o 20.18574 8.554841 28.62916       29.28091 47.64000       58.60486 22.30462       33.80241 22.20847 10.45650 19.40554 8.679087 2.802921       13.58915 
1 1 1 -26 34 11 o 19.69666 8.901092 23.84621       36.60201 -35.33000      57.36099 64.49000       47.53792 17.37174 8.638469 24.28985 10.60025 -6.918114      13.67437 
1 1 1 -26 34 12 o 19.04972 8.713173 18.93984       36.41429 -2.208000      57.54962 33.06000       47.02505 18.89707 9.252924 20.86865 9.672707 -1.971577      13.38573 
1 1 1 -26 34 13 o 17.01748 7.793550 8.147536       29.25640 4.386000       57.45677 9.464177       33.99322 19.15731 9.351380 17.72923 8.219777 1.428080       12.45042 
1 1 1 -26 34 14 o 20.38373 7.928760 30.24179       22.71846 21.94480       30.00542 41.38794       34.77777 18.89444 8.328024 21.83098 9.290440 -2.936539      12.47671 
1 1 1 -26 34 15 o 24.17293 8.566006 47.30273       25.36679 21.85000       36.65998 70.68409       35.13660 19.13960 8.749834 26.96247 10.00457 -7.822863      13.29101 
1 1 1 -26 34 16 o 15.11237 6.888321 3.366118       22.50411 -25.34835      29.88296 40.98547       34.20415 13.72041 6.707448 21.55416 9.194373 -7.833754      11.38097 
1 1 1 -26 34 17 o 15.46273 6.986139 6.120805       22.53200 2.860630       30.37989 10.10678       33.59177 16.26855 7.618070 17.41476 8.107010 -1.146214      11.12468 
1 1 1 -26 34 18 o 20.53483 7.999529 32.06990       23.15323 48.35639       31.50397 12.94153       34.14213 22.98130 9.210895 17.79227 8.245104 5.189024       12.36213 
1 1 1 -26 34 19 o 13.84131 6.747652 -21.33957      29.63952 -21.33957      29.63952 0.000000       0.000000 13.84131 6.747652 ?        ?        ?              ?        
1 1 1 -26 35 1  o 50.70063 5.511306 151.9118       26.91148 58.60000       63.37253 172.4410       29.72478 22.58311 10.70481 53.63432 5.751734 -31.05121      12.15217 
1 1 1 -26 35 2  o 25.36985 8.378857 49.78286       24.16942 43.45000       58.54749 51.08380       26.53607 21.62349 10.26138 25.07701 8.771611 -3.453520      13.49952 
1 1 1 -26 35 3  o 17.98753 8.406286 9.340361       36.68750 35.93000       57.29002 -9.144000      47.76667 21.08440 10.04670 17.64768 8.594962 3.436720       13.22155 
1 1 1 -26 35 4  o 26.95030 8.336857 55.44501       24.22676 -17.45000      57.94267 70.88842       26.66989 18.06462 8.929749 30.44317 8.582418 -12.37856      12.38541 
1 1 1 -26 35 5  o 33.45222 7.803883 78.60401       25.08283 42.82000       59.39059 86.37238       27.67184 21.49132 10.23740 34.34541 8.320012 -12.85409      13.19193 
1 1 1 -26 35 6  o 16.44475 7.304756 10.10402       23.52417 -25.08000      56.43244 17.50373       25.87995 17.54202 8.696529 17.93144 7.823409 -0.3894138     11.69766 
1 1 1 -26 35 7  o 18.29474 8.020472 19.12000       27.48922 53.70000       57.68496 8.959947       31.26786 22.20566 10.42978 17.28990 7.968978 4.915760       13.12574 
1 1 1 -26 35 8  o 14.86225 7.017529 -5.939759      26.73722 -1.029000      56.94357 -7.328614      30.28300 18.65689 9.149527 15.38740 7.324274 3.269486       11.72002 
1 1 1 -26 35 9  o 15.45465 7.425970 -10.93138      32.75171 -4.224000      56.47712 -14.33000      40.20195 18.40525 9.043445 16.29104 7.923112 2.114212       12.02329 
1 1 1 -26 35 10 o 16.44086 7.514985 7.415886       27.02972 -7.409000      57.60462 11.60154       30.60857 18.25740 9.002259 17.40648 7.971668 0.8509216      12.02448 
1 1 1 -26 35 11 o 21.99459 8.265587 38.41429       24.13636 62.23000       57.34131 33.28608       26.60839 22.47101 10.50415 20.60047 8.389816 1.870537       13.44345 
1 1 1 -26 35 12 o 14.92195 7.109208 -7.581382      28.66378 38.28000       57.13922 -23.00340      33.13457 20.61798 9.881037 14.46328 7.068973 6.154694       12.14929 
1 1 1 -26 35 13 o 18.42924 8.408138 19.63171       33.63194 0.000000       0.000000 19.63171       33.63194 ?        ?        18.42924 8.408138 ?              ?        
1 1 1 -26 35 14 o 15.74617 7.127228 6.998163       23.57854 -57.89000      56.29113 20.80527       25.96621 15.87866 7.990626 18.19128 7.887580 -2.312614      11.22782 
1 1 1 -26 35 15 o 14.39608 6.850187 -7.675083      26.44600 23.14000       56.61224 -16.27669      29.91014 19.43155 9.439401 14.28451 6.920769 5.147041       11.70467 
1 1 1 -26 36 1  o 19.35969 8.439034 27.57385       30.05586 -58.60000      57.31751 60.25539       35.29806 15.92321 8.019523 24.35308 9.753500 -8.429874      12.62709 
1 1 1 -26 36 2  o 16.83921 7.614733 11.75357       26.83857 -29.04000      56.87911 23.43742       30.44036 16.99242 8.474328 18.75143 8.320532 -1.759016      11.87626 
1 1 1 -26 36 3  o 16.62897 7.377350 12.65639       23.91912 -35.57000      57.04150 22.94555       26.34744 16.73097 8.365723 18.52061 7.987622 -1.789648      11.56665 
1 1 1 -26 36 4  o 18.63276 7.755570 24.01875       23.39860 -8.259000      56.12553 30.80889       25.74235 17.82427 8.806831 19.95639 8.204080 -2.132116      12.03608 
1 1 1 -26 36 5  o 17.76827 7.677041 19.25415       24.42500 -43.56000      56.34331 33.79018       27.10419 16.33595 8.189430 20.46416 8.416139 -4.128212      11.74300 
1 1 1 -26 36 6  o 16.05060 7.233692 8.957634       23.98326 41.22000       56.60783 1.899645       26.47701 20.63693 9.875340 15.49341 7.207463 5.143529       12.22579 
1 1 1 -26 36 7  o 19.83383 8.045305 29.85828       24.35311 47.97000       57.08905 25.82931       26.92590 21.10208 10.04779 19.02019 8.136741 2.081888       12.92922 
1 1 1 -26 36 8  o 20.53114 8.461823 34.13197       27.47659 57.77000       57.05765 26.99538       31.35115 21.82257 10.28795 19.26884 8.502075 2.553722       13.34643 
1 1 1 -26 36 9  o 16.72443 7.663393 10.12821       28.33750 36.70000       55.63193 0.8182237      32.92972 20.25001 9.716593 16.26698 7.712514 3.983025       12.40544 
1 1 1 -26 36 10 o 16.25829 7.711927 1.524341       32.99807 -29.50000      56.51737 17.57000       40.64521 16.74863 8.367366 18.35074 8.660930 -1.602106      12.04261 
1 1 1 -25 0  1  f 91.32903 4.105590 413.6985       36.53273 413.6985       36.53273 413.6985       36.53273 91.32903 4.105590 91.32903 4.105590 0.000000       0.000000 
1 1 1 -25 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  3  o 122.8586 4.467881 748.1629       53.56813 748.1629       53.56813 748.1629       53.56813 122.8586 4.467881 122.8586 4.467881 0.000000       0.000000 
1 1 1 -25 0  4  o 26.21758 8.324832 43.22219       18.79626 43.22219       18.79626 43.22219       18.79626 26.21758 8.324832 26.21758 8.324832 0.000000       0.000000 
1 1 1 -25 0  5  o 33.09501 6.834597 60.85302       19.54645 60.85302       19.54645 60.85302       19.54645 33.09501 6.834597 33.09501 6.834597 0.000000       0.000000 
1 1 1 -25 0  6  o 49.56293 4.863625 124.9082       23.03705 124.9082       23.03705 124.9082       23.03705 49.56293 4.863625 49.56293 4.863625 0.000000       0.000000 
1 1 1 -25 0  7  o 28.93356 7.884889 49.97502       19.30142 49.97502       19.30142 49.97502       19.30142 28.93356 7.884889 28.93356 7.884889 0.000000       0.000000 
1 1 1 -25 0  8  o 65.78626 7.689662 226.0000       47.74945 226.0000       47.74945 226.0000       47.74945 65.78626 7.689662 65.78626 7.689662 -0.000000      0.000000 
1 1 1 -25 0  9  o 61.33704 8.730353 201.2000       49.35015 201.2000       49.35015 201.2000       49.35015 61.33704 8.730353 61.33704 8.730353 0.000000       0.000000 
1 1 1 -25 0  10 o 92.16232 7.024543 433.2000       62.50122 433.2000       62.50122 433.2000       62.50122 92.16232 7.024543 92.16232 7.024543 -0.000000      0.000000 
1 1 1 -25 0  11 o 72.18614 7.778610 271.6000       53.34996 271.6000       53.34996 271.6000       53.34996 72.18614 7.778610 72.18614 7.778610 0.000000       0.000000 
1 1 1 -25 0  12 o 19.75786 11.87152 23.84000       41.36585 23.84000       41.36585 23.84000       41.36585 19.75786 11.87152 19.75786 11.87152 -0.000000      0.000000 
1 1 1 -25 0  13 o 24.08562 12.89777 45.59000       41.64635 45.59000       41.64635 45.59000       41.64635 24.08562 12.89777 24.08562 12.89777 -0.000000      0.000000 
1 1 1 -25 0  14 o 20.40049 12.07198 27.64000       41.55817 27.64000       41.55817 27.64000       41.55817 20.40049 12.07198 20.40049 12.07198 0.000000       0.000000 
1 1 1 -25 0  15 o 107.6357 4.469289 576.8043       46.90199 576.8043       46.90199 576.8043       46.90199 107.6357 4.469289 107.6357 4.469289 0.000000       0.000000 
1 1 1 -25 0  16 o 56.67422 4.769094 162.6946       26.00911 162.6946       26.00911 162.6946       26.00911 56.67422 4.769094 56.67422 4.769094 0.000000       0.000000 
1 1 1 -25 0  17 o 63.49535 4.629448 203.1671       28.41357 203.1671       28.41357 203.1671       28.41357 63.49535 4.629448 63.49535 4.629448 -0.000000      0.000000 
1 1 1 -25 0  18 o 15.28799 8.663359 16.31871       20.00575 16.31871       20.00575 16.31871       20.00575 15.28799 8.663359 15.28799 8.663359 0.000000       0.000000 
1 1 1 -25 0  19 o 16.72834 9.387548 20.22000       23.19439 20.22000       23.19439 20.22000       23.19439 16.72834 9.387548 16.72834 9.387548 -0.000000      0.000000 
1 1 1 -25 0  20 o 8.979074 6.298707 -21.07000      21.04725 -21.07000      21.04725 -21.07000      21.04725 8.979074 6.298707 8.979074 6.298707 -0.000000      0.000000 
1 1 1 -25 0  21 o 37.97285 9.047208 84.77000       29.18101 84.77000       29.18101 84.77000       29.18101 37.97285 9.047208 37.97285 9.047208 -0.000000      0.000000 
1 1 1 -25 0  22 o 10.63090 7.128028 -6.453672      20.77009 -6.453672      20.77009 -6.453672      20.77009 10.63090 7.128028 10.63090 7.128028 0.000000       0.000000 
1 1 1 -25 0  23 o 57.11414 6.617367 171.4000       35.70257 171.4000       35.70257 171.4000       35.70257 57.11414 6.617367 57.11414 6.617367 -0.000000      0.000000 
1 1 1 -25 0  24 o 19.11942 11.95460 19.21000       45.93881 19.21000       45.93881 19.21000       45.93881 19.11942 11.95460 19.11942 11.95460 0.000000       0.000000 
1 1 1 -25 0  25 o 31.17574 9.347360 61.67105       24.84564 61.67105       24.84564 61.67105       24.84564 31.17574 9.347360 31.17574 9.347360 0.000000       0.000000 
1 1 1 -25 0  26 o 30.58028 9.704720 61.02930       25.55501 61.02930       25.55501 61.02930       25.55501 30.58028 9.704720 30.58028 9.704720 -0.000000      0.000000 
1 1 1 -25 0  27 o 49.80157 6.114432 131.2617       28.60401 131.2617       28.60401 131.2617       28.60401 49.80157 6.114432 49.80157 6.114432 -0.000000      0.000000 
1 1 1 -25 0  28 o 38.26650 8.153140 84.94163       26.83766 84.94163       26.83766 84.94163       26.83766 38.26650 8.153140 38.26650 8.153140 -0.000000      0.000000 
1 1 1 -25 0  29 o 19.67620 10.17160 31.71431       25.19961 31.71431       25.19961 31.71431       25.19961 19.67620 10.17160 19.67620 10.17160 -0.000000      0.000000 
1 1 1 -25 0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  31 o 65.20818 5.613871 221.4134       35.19611 221.4134       35.19611 221.4134       35.19611 65.20818 5.613871 65.20818 5.613871 -0.000000      0.000000 
1 1 1 -25 0  32 o 12.66239 8.346634 -0.4433928     26.50962 -0.4433928     26.50962 -0.4433928     26.50962 12.66239 8.346634 12.66239 8.346634 0.000000       0.000000 
1 1 1 -25 0  33 o 26.17922 11.27918 54.57329       29.67952 54.57329       29.67952 54.57329       29.67952 26.17922 11.27918 26.17922 11.27918 -0.000000      0.000000 
1 1 1 -25 0  34 o 26.71483 11.41895 56.95479       30.45090 56.95479       30.45090 56.95479       30.45090 26.71483 11.41895 26.71483 11.41895 -0.000000      0.000000 
1 1 1 -25 0  35 o 21.45517 11.21757 40.51345       30.89418 40.51345       30.89418 40.51345       30.89418 21.45517 11.21757 21.45517 11.21757 0.000000       0.000000 
1 1 1 -25 0  36 o 48.38918 7.905104 133.5090       34.44365 133.5090       34.44365 133.5090       34.44365 48.38918 7.905104 48.38918 7.905104 -0.000000      0.000000 
1 1 1 -25 0  37 o 23.16751 11.61952 47.92396       32.30816 47.92396       32.30816 47.92396       32.30816 23.16751 11.61952 23.16751 11.61952 0.000000       0.000000 
1 1 1 -25 0  38 o 19.50656 11.02716 34.18602       32.30779 34.18602       32.30779 34.18602       32.30779 19.50656 11.02716 19.50656 11.02716 0.000000       0.000000 
1 1 1 -25 0  39 o 27.35382 14.25567 77.84000       49.77785 77.84000       49.77785 77.84000       49.77785 27.35382 14.25567 27.35382 14.25567 0.000000       0.000000 
1 1 1 -25 0  40 o 17.68934 11.48836 19.50000       47.55606 19.50000       47.55606 19.50000       47.55606 17.68934 11.48836 17.68934 11.48836 0.000000       0.000000 
1 1 1 -25 0  41 f 31.41297 12.08492 78.61520       35.16738 78.61520       35.16738 78.61520       35.16738 31.41297 12.08492 31.41297 12.08492 -0.000000      0.000000 
1 1 1 -25 0  42 o 33.20875 14.66193 104.1000       50.05730 104.1000       50.05730 104.1000       50.05730 33.20875 14.66193 33.20875 14.66193 -0.000000      0.000000 
1 1 1 -25 0  43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -25 0  44 o 13.43681 9.075851 -3.576451      34.85298 -3.576451      34.85298 -3.576451      34.85298 13.43681 9.075851 13.43681 9.075851 -0.000000      0.000000 
1 1 1 -25 0  45 o 25.00279 12.20247 58.65573       35.21259 58.65573       35.21259 58.65573       35.21259 25.00279 12.20247 25.00279 12.20247 0.000000       0.000000 
1 1 1 -25 0  46 o 12.08690 8.376876 -15.85977      34.25431 -15.85977      34.25431 -15.85977      34.25431 12.08690 8.376876 12.08690 8.376876 0.000000       0.000000 
1 1 1 -25 0  47 o 10.99460 7.820965 -35.92399      36.39822 -35.92399      36.39822 -35.92399      36.39822 10.99460 7.820965 10.99460 7.820965 -0.000000      0.000000 
1 1 1 -25 0  48 o 17.42505 10.85217 26.19930       37.47303 26.19930       37.47303 26.19930       37.47303 17.42505 10.85217 17.42505 10.85217 -0.000000      0.000000 
1 1 1 -25 0  49 o 17.13869 10.79658 25.18798       38.22884 25.18798       38.22884 25.18798       38.22884 17.13869 10.79658 17.13869 10.79658 -0.000000      0.000000 
1 1 1 -25 0  50 o 24.18190 12.81702 63.57344       40.76503 63.57344       40.76503 63.57344       40.76503 24.18190 12.81702 24.18190 12.81702 0.000000       0.000000 
1 1 1 -25 1  1  o 59.86945 3.343368 177.6920       19.51493 187.0258       24.98870 163.1000       31.24423 61.20564 4.196449 56.65466 5.712049 4.550976       7.087855 
1 1 1 -25 1  2  o 89.14514 2.896594 392.2247       25.24147 389.6695       36.34945 394.6043       35.07814 88.44224 4.210960 89.06580 4.034115 -0.6235580     5.831490 
1 1 1 -25 1  3  o 90.63538 2.900098 405.4555       25.69552 408.2725       37.13661 402.8682       35.59057 90.53346 4.202166 89.98653 4.051037 0.5469284      5.836874 
1 1 1 -25 1  4  o 55.38960 3.086091 151.8924       16.66567 138.6492       23.74458 164.7507       23.39689 52.51998 4.667411 57.42318 4.191465 -4.903206      6.273205 
1 1 1 -25 1  5  o 52.83840 3.221936 138.4253       16.58453 133.6010       23.57148 143.1548       23.33841 51.52403 4.726414 53.41356 4.505873 -1.889534      6.530075 
1 1 1 -25 1  6  o 32.94155 4.441980 54.99113       13.95809 63.57768       19.73923 46.40371       19.74022 35.02887 5.970952 29.58303 6.937993 5.445843       9.153579 
1 1 1 -25 1  7  o 21.23367 6.880761 22.59364       16.33474 16.58368       18.34465 45.60000       35.89197 19.70902 7.243840 29.76163 10.21216 -10.05261      12.52044 
1 1 1 -25 1  8  o 47.99785 4.375806 115.7456       20.33242 100.1716       23.28717 165.7000       41.70657 44.28902 5.489141 56.10841 7.805009 -11.81939      9.541951 
1 1 1 -25 1  9  o 14.92623 7.020818 -25.33591      26.30433 -11.45000      38.31933 -37.71000      36.17323 20.46019 9.188787 17.06882 8.089970 3.391371       12.24261 
1 1 1 -25 1  10 o 53.62102 6.323411 148.2798       32.55134 178.4000       47.40167 121.4000       44.77928 57.68906 8.661752 46.68019 10.09459 11.00887       13.30138 
1 1 1 -25 1  11 o 41.55783 7.837385 92.51280       30.71208 95.63000       44.89113 89.77000       42.10911 40.87103 10.98604 39.74825 10.62070 1.122784       15.28045 
1 1 1 -25 1  12 o 58.87737 6.030283 178.1487       34.26255 155.9000       49.96272 197.9000       47.07521 52.92406 10.01126 60.98806 8.084662 -8.063995      12.86807 
1 1 1 -25 1  13 o 64.89725 5.694245 215.2525       35.80550 185.4000       51.03082 244.2000       50.25142 58.23243 9.262768 68.02307 7.681405 -9.790638      12.03341 
1 1 1 -25 1  14 o 41.10408 5.083424 86.36925       20.01711 93.58000       46.10865 84.69463       22.22023 40.09103 11.27855 40.45407 5.775259 -0.3630409     12.67120 
1 1 1 -25 1  15 o 97.84498 3.742564 477.2465       35.77771 438.1000       65.61353 493.8110       42.68121 91.35669 7.400793 99.18363 4.407340 -7.826942      8.613731 
1 1 1 -25 1  16 o 10.89697 5.029198 -9.226319      12.51345 -9.386131      17.31915 -9.051771      18.10004 13.27822 6.048674 13.68397 6.213943 -0.4057436     8.671767 
1 1 1 -25 1  17 o 75.90638 3.162102 286.1942       23.44274 300.3479       33.54711 272.6866       32.77253 77.21110 4.457788 73.50082 4.577971 3.710274       6.389812 
1 1 1 -25 1  18 o 84.31424 3.436106 354.1157       28.29847 346.3000       44.82497 359.2949       36.48919 82.19692 5.604855 84.44417 4.430063 -2.247246      7.144218 
1 1 1 -25 1  19 o 56.86085 4.138001 162.8752       22.87323 191.3000       33.10147 136.9000       31.64306 60.94727 5.611599 51.05534 6.477449 9.891930       8.570146 
1 1 1 -25 1  20 o 71.68230 4.002559 258.1548       27.97227 246.9000       39.47992 269.5000       39.63809 69.06662 5.896185 72.33931 5.642597 -3.272690      8.161121 
1 1 1 -25 1  21 f 16.16420 6.448545 8.061257       15.36851 18.32735       21.00985 -3.754000      22.53937 20.49821 7.709883 16.25461 7.188824 4.243603       10.54142 
1 1 1 -25 1  22 o 35.15477 5.567423 64.75718       18.52026 62.25434       25.33432 67.63000       27.14226 33.47085 7.866613 34.79631 8.118271 -1.325466      11.30442 
1 1 1 -25 1  23 o 31.72638 5.919243 53.53663       17.70604 70.42046       26.27174 39.48529       23.96692 35.62337 7.754903 26.69003 8.297932 8.933350       11.35756 
1 1 1 -25 1  24 o 46.69546 4.507212 111.3781       20.34530 141.3000       32.44030 91.97832       26.12090 51.50974 6.584478 41.37835 6.676438 10.13139       9.377110 
1 1 1 -25 1  25 o 71.24251 4.132138 257.0232       28.69145 242.9261       33.30457 297.6000       56.50373 68.73441 4.984065 73.48484 7.983644 -4.750435      9.411668 
1 1 1 -25 1  26 o 33.95205 5.527122 61.09837       17.73715 71.11374       24.74518 50.51486       25.43737 35.74807 7.318444 29.58307 8.396116 6.164995       11.13797 
1 1 1 -25 1  27 o 66.24104 3.640852 221.4858       23.51597 216.3082       33.33063 226.6178       33.18309 64.35306 5.339395 65.99905 5.177998 -1.645988      7.437796 
1 1 1 -25 1  28 o 54.91443 3.963138 153.6659       21.15926 150.3561       29.65204 157.0998       30.20301 53.15592 5.792579 54.36624 5.763316 -1.210316      8.171277 
1 1 1 -25 1  29 o 29.74564 6.437242 49.26124       18.19759 47.45705       25.41204 51.16024       26.07118 28.18812 8.503586 29.19764 8.565992 -1.009518      12.07010 
1 1 1 -25 1  30 o 29.60926 6.701290 49.51136       18.96745 35.10329       26.71335 64.16072       26.93610 24.67909 8.785863 32.69299 8.379395 -8.013893      12.14107 
1 1 1 -25 1  31 o 34.37825 6.208275 65.33976       20.12247 50.38829       28.40490 80.40240       28.51031 28.52282 9.056959 36.81136 8.129885 -8.288540      12.17060 
1 1 1 -25 1  32 o 22.89239 7.645341 30.09569       20.10938 35.01151       28.13907 24.96457       28.74866 24.47871 8.975783 22.31334 8.846358 2.165363       12.60249 
1 1 1 -25 1  33 o 22.19509 7.696121 27.94062       20.40415 1.392699       28.17549 57.21703       29.58796 17.99909 7.994829 29.94653 9.204373 -11.94744      12.19171 
1 1 1 -25 1  34 o 14.76050 6.670121 -4.894463      20.55096 -11.75471      28.29524 2.764893       29.89783 16.24040 7.518988 18.55938 8.240088 -2.318974      11.15501 
1 1 1 -25 1  35 f 22.11631 7.826972 28.02470       21.17273 36.24870       29.12209 18.80362       30.83698 24.50203 9.105018 21.17536 8.865234 3.326668       12.70802 
1 1 1 -25 1  36 o 25.77083 7.969713 40.71784       22.14177 21.21408       30.33489 62.95743       32.39267 21.42192 8.865988 30.59247 9.666617 -9.170547      13.11675 
1 1 1 -25 1  37 o 23.86104 8.056641 34.74911       22.32670 60.90626       31.21762 7.359891       31.94438 30.05940 9.488566 19.35259 8.558625 10.70682       12.77822 
1 1 1 -25 1  38 o 14.18381 6.720131 -18.80344      24.91653 -22.68034      30.04263 -10.26000      44.59766 15.29382 7.284074 19.56268 9.182784 -4.268864      11.72097 
1 1 1 -25 1  39 o 24.95041 8.958762 40.91676       27.83630 67.11495       34.15808 -10.88000      48.02961 30.54691 9.953897 19.83811 9.378558 10.70881       13.67616 
1 1 1 -25 1  40 o 20.19768 8.412774 19.36423       27.55981 -26.77000      48.19716 41.77719       33.59383 18.59056 8.952085 24.86559 9.650044 -6.275028      13.16295 
1 1 1 -25 1  41 o 35.48006 9.745394 88.78593       34.87732 0.000000       0.000000 88.78593       34.87732 ?        ?        35.48006 9.745394 ?              ?        
1 1 1 -25 1  42 o 16.50284 7.548747 -3.432199      27.33771 -17.16000      46.76708 3.693378       33.69379 18.94319 9.040521 18.72747 8.493910 0.2157173      12.40474 
1 1 1 -25 1  43 o 16.09289 7.442523 -7.020898      27.61031 -26.04785      34.03541 29.60000       47.21836 15.75773 7.571211 23.28794 10.34655 -7.530209      12.82086 
1 1 1 -25 1  44 o 21.65509 8.300200 28.45752       24.63164 36.14626       35.18415 21.06709       34.49487 23.54828 9.625883 21.08506 9.116751 2.463223       13.25793 
1 1 1 -25 1  45 o 15.22044 6.997897 -5.776381      23.90401 2.473158       34.11579 -13.73236      33.50327 18.53415 8.460746 16.68008 7.869650 1.854065       11.55490 
1 1 1 -25 1  46 f 13.97905 6.634905 -16.96477      24.49878 -9.111043      34.76805 -24.70961      34.52621 17.29775 8.115900 15.84023 7.614660 1.457527       11.12883 
1 1 1 -25 1  47 o 23.21819 8.651403 35.82437       26.32682 22.65965       37.15742 49.09495       37.30652 21.33421 9.339656 25.51700 10.08977 -4.182785      13.74891 
1 1 1 -25 1  48 o 28.38732 8.848143 57.20519       27.23173 4.372756       38.05264 112.6650       38.98735 19.01290 8.773164 38.58835 10.17759 -19.57545      13.43696 
1 1 1 -25 1  49 o 30.75838 8.804108 67.50935       27.85262 42.50238       39.31425 92.70885       39.46530 23.65229 9.962664 33.17919 10.69040 -9.526899      14.61298 
1 1 1 -25 1  50 o 24.31000 9.426320 45.60363       32.03323 13.59365       40.01757 102.7000       53.44564 19.81414 9.089428 30.74271 12.10118 -10.92857      15.13460 
1 1 1 -25 2  1  o 71.12562 3.889854 251.6481       26.97797 242.9000       38.96852 259.7000       37.38589 69.19399 5.807121 71.74474 5.362465 -2.550743      7.904346 
1 1 1 -25 2  2  o 106.5535 2.999759 560.5672       31.25562 531.9070       44.10928 589.4698       44.29554 103.2836 4.372968 108.8296 4.165905 -5.546043      6.039670 
1 1 1 -25 2  3  o 78.41658 2.906010 303.6385       22.26688 308.2744       32.60922 299.5885       30.47885 78.61926 4.253294 77.57571 4.027693 1.043549       5.857715 
1 1 1 -25 2  4  o 78.27071 2.891324 302.5052       22.11338 300.0263       32.12781 304.7368       30.48307 77.55338 4.248506 78.24723 3.993208 -0.6938553     5.830566 
1 1 1 -25 2  5  o 48.42139 3.342420 116.4599       15.74460 133.7320       23.17391 101.6516       21.45747 51.56989 4.640467 44.81175 4.975710 6.758141       6.803795 
1 1 1 -25 2  6  o 47.69826 4.310749 114.1514       19.90917 114.8131       23.03883 112.2000       39.56340 47.63338 5.016549 45.43793 9.211173 2.195446       10.48864 
1 1 1 -25 2  7  o 27.40318 6.352899 39.60156       16.70783 44.91834       19.04133 21.81000       34.83212 29.10825 6.805519 24.65838 9.749684 4.449873       11.88997 
1 1 1 -25 2  8  o 33.18284 5.624141 56.94773       17.61565 50.61047       20.08076 78.11000       36.69533 30.90272 6.821442 37.50623 9.865212 -6.603510      11.99394 
1 1 1 -25 2  9  o 75.88893 3.673913 286.3464       27.20955 271.2996       32.08284 324.9000       51.35508 73.58425 4.475487 79.47123 6.663165 -5.886978      8.026690 
1 1 1 -25 2  10 o 70.89392 5.219309 254.2322       35.96441 290.5000       54.25247 225.8000       48.03576 74.54520 7.538716 65.59937 7.622779 8.945824       10.72096 
1 1 1 -25 2  11 o 60.80584 5.781602 189.0341       33.99762 160.3000       49.96874 213.8000       46.39024 53.84782 9.842939 63.76419 7.580871 -9.916370      12.42389 
1 1 1 -25 2  12 o 54.16459 6.319155 151.7667       32.87412 153.2000       49.07431 150.6000       44.27698 52.49281 9.914259 52.62495 8.913517 -0.1321449     13.33204 
1 1 1 -25 2  13 o 22.21519 7.005713 25.48137       17.02159 10.35000       43.80912 28.17180       18.47298 24.45871 10.41857 23.26266 7.293083 1.196043       12.71754 
1 1 1 -25 2  14 o 27.39934 6.785114 40.19347       18.10069 56.16000       44.22985 36.98148       19.83798 32.18740 11.31948 26.24522 7.403034 5.942183       13.52536 
1 1 1 -25 2  15 o 20.25181 7.126171 19.44423       17.53155 3.658000       43.11772 22.57094       19.18937 23.31501 10.13618 21.51675 7.463366 1.798267       12.58745 
1 1 1 -25 2  16 o 24.85975 7.094875 33.08670       18.11365 16.91000       43.30041 36.51803       19.94243 25.13355 10.51252 26.03604 7.448890 -0.9024830     12.88406 
1 1 1 -25 2  17 o 13.27344 5.745105 -0.7730356     13.72675 4.164000       20.18710 -5.018924      18.72083 16.98752 7.146237 14.62776 6.505949 2.359756       9.664165 
1 1 1 -25 2  18 f 13.64974 6.180584 -8.146200      17.75053 -4.372000      20.05912 -21.77000      38.11084 15.26790 6.765637 18.92931 8.750648 -3.661414      11.06109 
1 1 1 -25 2  19 o 68.63643 3.573908 235.3769       23.92796 277.5000       38.59124 209.0689       30.49805 73.60854 5.393611 64.09931 4.897948 9.509232       7.285666 
1 1 1 -25 2  20 o 54.49369 3.938912 149.3852       20.86834 136.2961       27.32620 167.7000       32.32391 51.37208 5.520867 56.83693 5.895681 -5.464851      8.077068 
1 1 1 -25 2  21 o 65.79606 4.881601 220.6160       31.21501 192.3000       54.68657 234.3000       38.01655 57.94598 10.00309 67.25864 5.832139 -9.312660      11.57910 
1 1 1 -25 2  22 o 18.81390 6.941468 15.79406       16.87211 9.983674       22.51237 23.24000       25.48464 18.83168 7.699042 22.53796 8.488253 -3.706282      11.45974 
1 1 1 -25 2  23 o 44.31659 4.700198 100.6531       20.07816 112.7246       26.54053 84.50000       30.70135 46.30426 5.996427 38.77427 8.337207 7.529991       10.26967 
1 1 1 -25 2  24 o 36.66363 5.005068 69.73282       17.49340 75.76291       24.68031 63.64461       24.79894 37.30301 7.016749 33.80514 7.671006 3.497871       10.39611 
1 1 1 -25 2  25 o 53.77065 4.125723 146.7716       21.54871 93.46000       32.06792 190.6631       29.09717 40.59535 8.349171 60.87906 4.924896 -20.28370      9.693464 
1 1 1 -25 2  26 o 34.87691 6.712317 66.57998       22.08322 67.93444       25.12493 61.98000       46.30202 34.75409 7.598104 31.70814 11.53128 3.045948       13.80948 
1 1 1 -25 2  27 o 60.16498 3.706698 183.0707       21.72319 182.4385       30.57314 183.7154       30.87148 59.05137 5.347269 59.23352 5.383302 -0.1821518     7.587702 
1 1 1 -25 2  28 o 38.73727 5.148909 79.06487       19.04014 94.70238       26.62869 62.70692       27.23520 41.43468 6.801461 32.56940 8.466067 8.865276       10.85975 
1 1 1 -25 2  29 o 50.82682 4.251939 133.0414       20.96003 137.0295       29.03544 128.7017       30.28815 50.39279 6.004421 48.40055 6.562037 1.992237       8.894570 
1 1 1 -25 2  30 o 18.80455 7.215024 16.14121       18.62490 12.28238       25.49757 20.55548       27.27096 19.41212 8.089234 21.40306 8.572693 -1.990936      11.78672 
1 1 1 -25 2  31 o 19.03559 7.321926 16.77975       19.21397 48.00746       26.64318 -17.05984      27.73502 27.99829 8.755826 15.60095 7.296841 12.39734       11.39774 
1 1 1 -25 2  32 o 25.12961 7.563202 37.14851       20.11937 40.93580       27.93438 33.06624       29.00180 25.92049 9.004020 24.07415 9.057600 1.846340       12.77155 
1 1 1 -25 2  33 o 16.34279 6.988451 5.024786       19.84737 -17.55218      26.90699 31.96917       29.39453 15.18802 7.130364 23.75944 9.077058 -8.571415      11.54275 
1 1 1 -25 2  34 o 18.45551 7.448157 13.82059       20.75236 -31.94223      27.90169 70.47877       31.04599 14.03998 6.773441 33.13561 9.230597 -19.09563      11.44917 
1 1 1 -25 2  35 o 39.45500 6.051848 86.42068       22.62729 63.19296       30.63524 114.3030       33.56467 31.08481 9.327599 43.50497 8.182265 -12.42016      12.40780 
1 1 1 -25 2  36 o 56.55487 4.563900 168.3330       25.05019 171.3029       34.85318 165.1593       36.02869 55.04882 6.599675 53.56925 7.041435 1.479572       9.650778 
1 1 1 -25 2  37 o 38.25681 7.489499 87.20715       27.04152 90.72166       32.78646 79.73000       47.82233 37.47065 9.043333 31.78903 11.69374 5.681614       14.78261 
1 1 1 -25 2  38 o 31.95899 8.367353 64.98836       26.47773 68.83208       31.90857 56.49000       47.44593 31.73636 9.518637 27.62220 11.22039 4.114166       14.71400 
1 1 1 -25 2  39 o 16.67357 7.247386 5.617950       22.03388 15.33074       30.60670 -4.831233      31.74574 20.00898 8.619132 17.47278 8.044728 2.536201       11.79013 
1 1 1 -25 2  40 o 33.63482 8.311428 72.78412       27.20328 23.19000       45.67015 100.0557       33.86667 22.66183 10.11512 38.75459 9.086495 -16.09277      13.59706 
1 1 1 -25 2  41 o 29.25352 9.884011 62.24470       33.60347 0.000000       0.000000 62.24470       33.60347 ?        ?        29.25352 9.884011 ?              ?        
1 1 1 -25 2  42 o 16.03745 7.229484 -0.6252306     23.97173 -1.444499      34.09491 0.1756747      33.71064 18.18648 8.360100 18.30045 8.375365 -0.1139622     11.83377 
1 1 1 -25 2  43 o 25.86871 8.526971 44.63454       25.03557 22.16479       34.86953 68.54132       35.96727 21.33835 9.195856 30.07927 10.22520 -8.740917      13.75203 
1 1 1 -25 2  44 o 45.18726 7.077292 122.3361       30.27645 126.1310       37.75618 115.5000       50.67475 43.24683 9.202159 36.11092 12.13756 7.135914       15.23155 
1 1 1 -25 2  45 o 21.90884 8.359458 29.65267       24.91019 35.73184       35.72528 23.90037       34.75156 23.43503 9.652679 21.48657 9.218890 1.948456       13.34774 
1 1 1 -25 2  46 o 17.66722 7.701900 9.087104       25.03888 10.36171       36.56648 7.961853       34.35732 19.72278 8.906349 19.11331 8.631938 0.6094646      12.40296 
1 1 1 -25 2  47 o 17.55658 7.738798 7.504414       25.91329 4.921682       37.13145 9.956604       36.18089 19.14152 8.771431 19.58628 8.850616 -0.4447632     12.46079 
1 1 1 -25 2  48 o 20.86473 8.503260 25.99374       27.35530 38.33405       38.78812 13.78225       38.58514 23.35869 9.870358 20.10175 9.106195 3.256937       13.42933 
1 1 1 -25 2  49 o 39.62996 8.815768 108.8784       33.31434 107.2653       41.25964 111.9000       56.46871 35.76244 10.84543 31.83391 12.46625 3.928530       16.52364 
1 1 1 -25 2  50 o 19.25339 8.573752 15.51331       32.61393 0.3623000      58.12014 22.47688       39.40230 20.32521 9.798244 20.73797 9.315290 -0.4127522     13.51962 
1 1 1 -25 3  1  o 88.38677 2.878139 385.6172       24.86713 366.3816       35.83134 403.4904       34.53912 85.70871 4.284609 90.08763 3.926305 -4.378922      5.811518 
1 1 1 -25 3  2  o 69.26112 2.938165 237.0356       19.87395 231.2890       29.13281 242.0378       27.18065 68.01364 4.399634 69.70853 4.000324 -1.694893      5.946374 
1 1 1 -25 3  3  o 46.52931 3.391352 107.6195       15.33958 99.30228       22.78453 114.5147       20.74545 44.16439 5.381607 47.73417 4.492879 -3.569786      7.010539 
1 1 1 -25 3  4  o 32.51470 4.265636 53.45703       13.24884 42.88729       19.44518 62.61536       18.10039 28.42076 7.029386 34.90459 5.478019 -6.483831      8.911843 
1 1 1 -25 3  5  o 41.05703 4.620999 85.13673       18.24864 84.49825       21.96371 86.56000       32.79237 40.58618 5.684325 40.01892 8.625878 0.5672646      10.33041 
1 1 1 -25 3  6  o 79.49533 3.517861 313.5260       27.30547 305.4485       32.98912 331.1000       48.65946 78.19193 4.327125 80.56493 6.218520 -2.372993      7.575882 
1 1 1 -25 3  7  o 23.25847 6.731536 28.31207       16.19766 22.32673       18.42863 48.64000       33.96216 21.45693 7.318763 30.27703 9.929008 -8.820101      12.33489 
1 1 1 -25 3  8  o 62.72881 3.822347 196.0832       23.35807 198.5949       27.69884 189.9000       43.45984 62.90612 4.528755 60.21753 7.537932 2.688583       8.793751 
1 1 1 -25 3  9  o 24.02116 6.612834 30.45701       16.03854 34.60265       18.24653 16.37000       33.63516 25.53080 7.063065 23.31935 9.456528 2.211451       11.80308 
1 1 1 -25 3  10 o 16.95176 7.568120 -7.514222      25.58125 -53.52000      40.96248 21.90000       32.75358 17.17811 8.267094 24.12932 9.480773 -6.951208      12.57895 
1 1 1 -25 3  11 o 23.39447 8.763214 23.90077       27.08353 50.53000       42.03988 5.007000       35.41127 31.06477 11.02559 21.79441 9.327532 9.270357       14.44183 
1 1 1 -25 3  12 f 57.39264 4.030501 164.9555       22.49839 150.0000       49.24395 168.9007       25.29244 51.80166 10.07471 57.91927 4.496497 -6.117615      11.03260 
1 1 1 -25 3  13 o 59.87000 5.905271 184.1035       34.15621 228.1000       52.54063 151.9000       44.95089 65.21323 8.427899 52.70920 9.037699 12.50402       12.35757 
1 1 1 -25 3  14 o 100.8603 3.742123 506.9323       36.87999 430.7000       67.87044 538.8724       43.93186 90.33617 7.750438 103.6768 4.338629 -13.34068      8.882173 
1 1 1 -25 3  15 o 42.23906 5.047925 91.23472       20.45783 41.31000       47.41272 102.6560       22.67748 29.64755 11.47567 44.75087 5.278556 -15.10332      12.63148 
1 1 1 -25 3  16 o 78.08448 4.355957 306.5800       33.16116 0.000000       0.000000 306.5800       33.16116 ?        ?        78.08448 4.355957 ?              ?        
1 1 1 -25 3  17 o 28.46238 5.926857 42.88941       15.97483 36.83000       24.71315 47.23861       20.93715 26.23100 8.460317 29.47948 7.295740 -3.248476      11.17161 
1 1 1 -25 3  18 o 16.99838 6.470142 11.30451       14.89985 15.76000       22.21769 7.662877       20.08628 20.20021 7.845500 17.69263 7.257305 2.507584       10.68739 
1 1 1 -25 3  19 o 35.34183 5.228506 64.73260       17.54219 86.96955       23.33952 35.86000       26.59483 40.72528 6.037491 26.00155 8.793026 14.72373       10.66624 
1 1 1 -25 3  20 o 17.24179 7.105472 6.894968       19.37167 -5.097000      49.20160 9.094942       21.07379 23.27325 10.43529 18.27620 7.457707 4.997059       12.82625 
1 1 1 -25 3  21 o 20.46087 6.929040 21.06845       16.51481 7.101690       21.31212 42.06000       26.12769 17.89004 7.420249 27.58828 8.676897 -9.698246      11.41703 
1 1 1 -25 3  22 f 30.30219 6.021131 48.99017       17.22956 62.22876       22.14182 28.67000       27.43192 33.86055 6.914632 24.11982 8.859284 9.740730       11.23829 
1 1 1 -25 3  23 o 22.39319 7.101552 26.69955       17.46842 33.98567       22.91914 16.60000       26.98368 25.02194 8.153524 21.28646 8.526934 3.735474       11.79782 
1 1 1 -25 3  24 o 83.14840 3.684902 347.0809       29.91617 342.3786       38.14024 354.6000       48.22935 81.88662 4.779209 82.34972 6.025028 -0.4630966     7.690371 
1 1 1 -25 3  25 o 31.82835 5.701049 53.93256       17.10900 43.22516       23.92173 65.14508       24.47947 27.60096 8.233130 34.15047 7.526368 -6.549519      11.15485 
1 1 1 -25 3  26 o 26.41058 6.627978 38.52957       17.10493 36.49657       23.86744 40.67632       24.52605 25.50227 8.321198 26.71198 8.407489 -1.209715      11.82912 
1 1 1 -25 3  27 o 55.37448 4.076592 156.3143       21.94109 119.0570       29.80618 200.3837       32.41670 46.72438 6.709334 61.82946 5.410800 -15.10508      8.619275 
1 1 1 -25 3  28 o 26.40461 7.175342 39.61834       19.02498 52.85392       24.90695 21.07925       29.47767 29.97593 8.236221 22.10664 8.892653 7.869287       12.12083 
1 1 1 -25 3  29 o 25.42756 7.164567 37.03988       18.59101 27.75486       24.98912 48.54919       27.82173 22.78793 8.440541 28.26055 8.962281 -5.472622      12.31118 
1 1 1 -25 3  30 o 48.47507 4.554379 122.2312       21.35681 117.6553       28.90837 127.7297       31.68896 46.13362 6.588707 47.77066 6.983368 -1.637047      9.600964 
1 1 1 -25 3  31 o 32.58868 6.480903 59.52037       19.94528 36.67698       26.84286 87.67883       29.80251 24.94598 8.814344 38.40635 8.178504 -13.46037      12.02417 
1 1 1 -25 3  32 o 20.06848 7.458120 20.65142       19.54055 12.15594       26.44546 30.86734       28.99986 19.42604 8.176103 23.58285 9.014360 -4.156815      12.16994 
1 1 1 -25 3  33 o 21.75248 7.751245 26.43063       20.79694 33.32505       28.34768 18.39479       30.60443 23.97084 8.968208 21.21473 8.853079 2.756111       12.60182 
1 1 1 -25 3  34 o 24.40917 7.843717 35.50283       21.25538 5.161416       28.60559 72.90636       31.76064 18.60313 8.167901 33.60918 9.326401 -15.00605      12.39743 
1 1 1 -25 3  35 o 20.76700 7.776687 23.17844       21.32557 49.20033       29.32836 -6.014984      31.06425 27.57042 9.233411 17.55757 8.037080 10.01286       12.24134 
1 1 1 -25 3  36 o 21.40895 7.879436 25.73318       21.71731 42.67785       29.65939 6.147237       31.88731 25.82475 9.250504 19.25307 8.530982 6.571680       12.58370 
1 1 1 -25 3  37 o 34.16104 7.942896 71.58326       26.05476 76.31313       31.33160 60.98000       46.91136 34.07339 9.186474 28.64446 11.31810 5.428934       14.57706 
1 1 1 -25 3  38 o 30.47450 7.568776 56.81014       22.47475 61.01338       30.80158 52.02429       32.86706 29.89878 9.423448 27.44757 9.748105 2.451210       13.55828 
1 1 1 -25 3  39 o 42.70072 6.729124 106.2732       27.19546 124.5000       44.57824 95.46843       34.32235 40.87212 10.93062 37.56768 9.366575 3.304443       14.39483 
1 1 1 -25 3  40 o 42.38092 6.997426 106.4491       28.01570 144.8000       46.46381 84.54181       35.11737 44.36826 10.80164 34.37914 9.900107 9.989128       14.65222 
1 1 1 -25 3  41 o 17.18848 7.463505 7.149683       23.31778 -14.34331      33.95637 26.32878       32.07650 16.86478 7.946334 21.89114 9.093573 -5.026363      12.07631 
1 1 1 -25 3  42 o 20.93571 8.610427 23.47002       28.37159 -7.179000      51.87002 36.55416       33.89072 20.36855 9.663712 23.68781 9.532860 -3.319258      13.57434 
1 1 1 -25 3  43 o 17.37782 7.563491 7.790776       24.06440 -14.27428      33.83252 30.38455       34.23546 16.74427 7.902453 22.56488 9.385800 -5.820610      12.26956 
1 1 1 -25 3  44 o 18.69862 8.091386 12.15667       27.21542 13.32401       33.77913 9.997000       45.94553 19.88721 8.797739 21.02229 9.678658 -1.135071      13.07963 
1 1 1 -25 3  45 o 15.96298 7.409618 -7.839128      27.74647 -19.86911      34.67070 13.59000       46.27350 16.35754 7.800291 21.34656 9.785600 -4.989017      12.51409 
1 1 1 -25 3  46 o 19.67943 8.141104 19.68874       25.56133 -22.84962      36.08047 62.55273       36.21830 16.32186 7.829987 28.30669 10.21193 -11.98483      12.86827 
1 1 1 -25 3  47 o 28.44450 8.708232 55.98673       26.51706 35.44138       37.30648 76.96576       37.69816 23.15701 9.726545 31.04725 10.46892 -7.890236      14.28999 
1 1 1 -25 3  48 o 33.97945 9.239622 82.87534       31.53448 78.05904       39.06045 91.89000       53.43857 30.52643 10.64457 30.10430 12.01972 0.4221344      16.05554 
1 1 1 -25 3  49 o 30.82047 9.738845 74.10743       32.87840 157.1000       62.27161 42.02961       38.71443 37.01406 13.38529 23.51901 9.895282 13.49505       16.64579 
1 1 1 -25 3  50 o 16.98348 7.888355 -1.265535      31.52498 -26.56448      38.44761 50.64000       55.07125 16.02826 7.784507 23.99661 10.87395 -7.968353      13.37316 
1 1 1 -25 4  1  o 72.75964 2.923881 261.5668       20.78122 238.4926       30.60612 281.3039       28.30656 69.00153 4.557028 75.19975 3.858504 -6.198227      5.971144 
1 1 1 -25 4  2  o 37.84319 4.930053 72.79081       17.82815 62.22000       26.65308 81.35000       23.98333 33.99207 8.121858 39.57278 6.410795 -5.580711      10.34712 
1 1 1 -25 4  3  o 46.99376 3.709143 110.1294       16.92337 89.57000       28.53567 121.2838       21.01869 41.21943 7.341818 49.14629 4.416314 -7.926857      8.567737 
1 1 1 -25 4  4  o 42.19750 4.565520 89.83522       18.55749 85.05978       22.73062 99.38000       32.13565 40.65064 5.883541 43.24027 7.882989 -2.589634      9.836542 
1 1 1 -25 4  5  o 26.63446 6.278153 37.39785       16.09825 32.91056       19.31682 47.60000       29.12654 25.02167 7.382058 29.79683 9.127493 -4.775160      11.73908 
1 1 1 -25 4  6  f 15.11852 6.326165 2.903104       15.69017 3.065201       19.16863 2.574000       27.31298 16.53252 6.959744 19.21898 8.207701 -2.686466      10.76124 
1 1 1 -25 4  7  f 25.85236 6.479953 35.36445       16.36387 24.59431       19.17789 64.20000       31.38008 22.27712 7.466609 34.19332 9.182597 -11.91620      11.83513 
1 1 1 -25 4  8  o 59.23127 3.879861 175.0644       22.37052 184.8841       26.76397 152.3000       40.75026 60.66544 4.540090 53.57562 8.016682 7.089817       9.213012 
1 1 1 -25 4  9  o 52.33292 4.116735 137.2328       20.91826 140.8021       24.82787 128.5000       38.83482 52.77525 4.860783 48.89495 8.417954 3.880299       9.720553 
1 1 1 -25 4  10 o 30.64167 6.136852 49.36893       17.76393 47.06252       20.66383 55.90000       34.77247 29.62063 7.198553 31.88900 10.00721 -2.268372      12.32734 
1 1 1 -25 4  11 o 21.03012 6.952463 22.13178       16.63949 26.40000       42.17297 21.34484       18.10859 26.61377 10.66036 21.00953 7.251986 5.604246       12.89320 
1 1 1 -25 4  12 o 22.45785 6.984879 26.18889       16.98023 19.35000       42.56727 27.48306       18.51730 25.51952 10.52645 23.03748 7.312343 2.482040       12.81704 
1 1 1 -25 4  13 o 43.11873 4.722693 94.41244       19.60681 108.2000       45.59888 91.28510       21.71690 43.34908 10.78934 42.16501 5.384560 1.184074       12.05833 
1 1 1 -25 4  14 o 21.93918 7.060095 24.72290       17.21627 -42.13000      44.81428 36.29774       18.64721 19.02146 9.012239 25.99843 7.119726 -6.976971      11.48525 
1 1 1 -25 4  15 o 53.69639 4.866460 146.4100       25.30043 0.000000       0.000000 146.4100       25.30043 ?        ?        53.69639 4.866460 ?              ?        
1 1 1 -25 4  16 o 84.56673 4.421329 359.9223       36.47098 0.000000       0.000000 359.9223       36.47098 ?        ?        84.56673 4.421329 ?              ?        
1 1 1 -25 4  17 o 17.06598 7.106476 5.444158       19.65804 0.000000       0.000000 5.444158       19.65804 ?        ?        17.06598 7.106476 ?              ?        
1 1 1 -25 4  18 o 16.68377 7.186553 0.9104525      21.27685 44.73000       49.63150 -8.956000      23.55071 30.13166 11.71949 15.84283 7.151544 14.28883       13.72920 
1 1 1 -25 4  19 o 39.10559 5.781448 79.91987       21.46384 43.03000       51.16119 87.79972       23.64536 29.89720 11.81760 40.88420 6.094523 -10.98700      13.29657 
1 1 1 -25 4  20 o 49.32510 3.876540 122.4556       18.56593 123.5040       26.54200 121.4511       25.97942 48.79449 5.662217 48.41980 5.583652 0.3746872      7.952224 
1 1 1 -25 4  21 o 43.54851 4.262554 96.27134       17.93733 93.15353       24.90058 99.63433       25.86112 41.99618 6.247469 43.44965 6.261199 -1.453468      8.844970 
1 1 1 -25 4  22 o 45.04852 4.517996 103.5697       19.65336 110.0254       25.22625 93.60000       31.34907 45.88846 5.741516 41.04068 8.091484 4.847775       9.921548 
1 1 1 -25 4  23 o 18.57258 6.823779 15.61472       16.27648 8.611516       20.52212 27.49000       26.72364 17.88975 7.336607 23.65544 8.734573 -5.765688      11.40695 
1 1 1 -25 4  24 o 44.91541 4.513264 103.2336       19.57366 91.22750       24.52510 124.3000       32.48657 41.38918 6.248065 47.87492 7.151383 -6.485737      9.496346 
1 1 1 -25 4  25 o 68.11454 3.506259 233.0583       23.29840 212.7867       32.18600 255.3727       33.76877 64.11635 5.172386 70.44386 4.928496 -6.327515      7.144484 
1 1 1 -25 4  26 o 27.50467 6.733426 41.94681       17.97953 43.71107       24.46494 39.87495       26.51203 27.56323 8.349756 26.45993 8.776914 1.103294       12.11415 
1 1 1 -25 4  27 o 31.18202 6.353579 53.36287       18.73327 43.49091       25.24177 65.46729       27.95053 27.31581 8.519425 33.34044 8.530663 -6.024635      12.05624 
1 1 1 -25 4  28 o 25.24144 7.564175 36.48061       20.15671 42.22000       28.45366 30.69889       28.55841 26.74986 9.094653 23.97409 8.994847 2.775766       12.79140 
1 1 1 -25 4  29 o 16.30525 7.110435 1.525060       21.35544 -3.842752      24.02403 21.74000       46.62120 16.25342 7.289466 24.42975 10.58081 -8.176336      12.84873 
1 1 1 -25 4  30 o 19.86238 7.350037 19.81492       18.94117 12.75826       25.21552 28.95286       28.69407 19.41926 8.064322 23.34039 8.955419 -3.921129      12.05126 
1 1 1 -25 4  31 o 16.63220 6.968137 7.132134       19.07180 -3.683729      25.60085 20.62032       28.58910 16.64884 7.491048 21.48637 8.716481 -4.837534      11.49317 
1 1 1 -25 4  32 o 11.21310 5.433240 -26.03740      18.44638 -20.91714      24.67204 -32.52772      27.77742 14.12151 6.689576 14.00172 6.755815 0.1197968      9.507442 
1 1 1 -25 4  33 o 24.73609 7.687394 36.30783       20.57210 72.03091       27.83893 -6.667282      30.53420 34.31873 8.364676 17.47790 7.988365 16.84082       11.56641 
1 1 1 -25 4  34 o 16.94065 7.125605 7.859858       20.06665 6.678428       26.79910 9.367607       30.27476 18.40858 7.997217 19.58691 8.504635 -1.178329      11.67409 
1 1 1 -25 4  35 o 22.73945 7.847800 30.40581       21.20605 51.46563       28.80773 5.495739       31.33063 28.15751 9.138687 19.10123 8.460328 9.056282       12.45362 
1 1 1 -25 4  36 o 21.52012 8.302882 25.22695       24.76085 19.19651       29.70393 38.96000       44.82526 20.90654 8.722966 25.41252 10.66706 -4.505980      13.77956 
1 1 1 -25 4  37 o 28.31029 7.809738 49.38762       22.34379 34.47015       30.46185 66.76068       32.87357 23.85950 9.208243 31.22993 9.719636 -7.370436      13.38892 
1 1 1 -25 4  38 o 36.70310 6.742922 78.42606       23.33220 83.36818       32.49966 73.16959       33.51730 35.29703 9.284108 32.39772 9.764359 2.899311       13.47358 
1 1 1 -25 4  39 o 27.27537 8.637568 49.19581       25.85026 43.58000       41.85133 52.65994       32.87004 25.27471 10.43271 27.29064 9.742582 -2.015932      14.27443 
1 1 1 -25 4  40 o 19.22164 7.862372 17.49269       23.49213 68.55907       33.58313 -31.43985      32.87399 30.76764 9.856623 15.09542 7.299663 15.67223       12.26532 
1 1 1 -25 4  41 o 14.98608 6.885040 -6.482684      23.08001 -16.98238      33.25888 3.270365       32.05453 16.45518 7.786733 18.43443 8.330331 -1.979254      11.40297 
1 1 1 -25 4  42 o 18.06569 7.953520 7.854690       27.29351 -4.722000      51.78482 12.69213       32.11641 20.51713 9.711097 19.61457 8.631831 0.9025517      12.99284 
1 1 1 -25 4  43 o 32.44727 8.922989 71.68407       29.21941 44.81000       53.74792 82.95859       34.81320 25.13139 11.10856 33.73686 9.898714 -8.605476      14.87900 
1 1 1 -25 4  44 o 19.16448 7.938194 17.27863       24.34573 -31.53840      34.93441 63.37487       33.94693 15.48061 7.495312 29.13854 9.933369 -13.65792      12.44394 
1 1 1 -25 4  45 o 12.11985 6.018122 -50.69026      27.44355 -52.11026      34.31470 -48.17000      45.71493 13.90614 6.873722 16.57878 8.144062 -2.672643      10.65710 
1 1 1 -25 4  46 o 37.06349 8.630506 91.68793       30.72392 87.52820       38.33360 99.16000       51.37687 33.37530 10.51180 32.37669 12.08140 0.9986153      16.01431 
1 1 1 -25 4  47 o 25.52312 8.738794 45.37053       26.27877 39.42292       37.22050 51.28203       37.10735 23.71958 9.819223 25.78309 10.10297 -2.063511      14.08855 
1 1 1 -25 4  48 f 17.31385 7.941607 0.7028061      30.53767 45.34000       55.72439 -18.45639      36.50779 24.23182 10.96357 16.55517 7.924391 7.676649       13.52760 
1 1 1 -25 4  49 o 16.03336 7.558543 -9.759961      30.79572 -40.00411      37.43951 53.51000       54.15121 15.02250 7.377674 24.57038 10.98736 -9.547880      13.23451 
1 1 1 -25 4  50 o 12.90864 6.298716 -29.75599      25.99427 -50.24146      37.02168 -9.836541      36.50663 14.21176 7.045243 16.94550 8.059053 -2.733738      10.70438 
1 1 1 -25 5  1  o 55.20754 4.238322 152.5952       22.72816 121.4000       33.30032 179.8000       31.09758 48.12577 7.297733 59.55836 5.392681 -11.43259      9.074024 
1 1 1 -25 5  2  o 79.05608 4.358358 312.3853       33.59547 359.9000       53.11471 280.7000       43.37397 83.82246 6.524999 74.22382 6.021750 9.598633       8.879025 
1 1 1 -25 5  3  o 59.15221 3.776869 174.2970       21.75377 152.8632       27.00639 213.9000       36.70966 54.98651 5.074921 64.80241 5.850333 -9.815899      7.744755 
1 1 1 -25 5  4  o 36.50526 5.009077 67.96896       17.42714 51.26394       21.42856 100.6000       29.94918 31.00832 7.198772 43.73044 7.250560 -12.72212      10.21729 
1 1 1 -25 5  5  o 56.02573 3.863788 156.6064       21.05907 129.0162       25.48522 216.0000       37.39220 50.41034 5.241340 65.06125 5.936888 -14.65091      7.919488 
1 1 1 -25 5  6  o 70.05624 3.607877 243.9750       24.65695 234.2009       30.53261 262.3000       41.80678 68.30715 4.593287 71.68602 6.013448 -3.378868      7.567024 
1 1 1 -25 5  7  o 17.39901 6.546011 11.94407       15.14770 8.404968       18.35167 19.51000       26.83242 17.45797 7.018671 22.40252 8.643255 -4.944546      11.13407 
1 1 1 -25 5  8  o 22.92780 6.785027 27.50681       16.29813 31.56716       19.44260 17.91000       29.89072 24.51857 7.446883 22.73007 9.017546 1.788498       11.69496 
1 1 1 -25 5  9  o 12.66144 5.733437 -7.628417      15.27787 1.617616       17.48870 -37.42000      31.39255 15.52073 6.595980 15.48668 7.395322 0.3404903E-01  9.909477 
1 1 1 -25 5  10 o 34.70452 4.289240 61.01553       14.26065 67.72636       21.40549 55.65994       19.12232 35.94115 6.314863 32.53505 6.231401 3.406109       8.871745 
1 1 1 -25 5  11 o 16.62221 6.568642 8.721301       15.80271 -19.57000      40.70089 13.74325       17.14800 20.06341 9.189944 18.47164 6.961516 1.591766       11.52900 
1 1 1 -25 5  12 o 15.22712 6.341947 3.644399       15.66013 23.34000       40.97033 0.2745185      16.94697 25.82710 10.45014 14.97931 6.432544 10.84779       12.27123 
1 1 1 -25 5  13 o 18.92593 6.888304 15.87473       16.52688 35.38000       45.07980 12.84604       17.76371 28.42465 11.13627 18.36366 7.046146 10.06099       13.17819 
1 1 1 -25 5  14 o 34.70218 6.363081 63.57781       20.81751 0.000000       0.000000 63.57781       20.81751 ?        ?        34.70218 6.363081 ?              ?        
1 1 1 -25 5  15 o 58.25916 4.678325 171.7999       26.45438 0.000000       0.000000 171.7999       26.45438 ?        ?        58.25916 4.678325 ?              ?        
1 1 1 -25 5  16 o 43.98492 6.830064 102.5000       28.45252 0.000000       0.000000 102.5000       28.45252 ?        ?        43.98492 6.830064 ?              ?        
1 1 1 -25 5  17 o 45.52435 7.791263 112.2585       33.47079 88.31000       53.99928 127.2000       42.65263 38.06516 12.52189 47.47668 9.510018 -9.411514      15.72381 
1 1 1 -25 5  18 o 21.43595 7.366174 22.94896       18.67633 -54.63000      49.62231 35.75194       20.15860 19.12437 9.176554 25.66945 7.532681 -6.545088      11.87225 
1 1 1 -25 5  19 o 56.49129 3.565532 159.7259       19.61511 160.0376       28.30801 159.4380       27.20480 55.84189 5.240192 55.83638 5.031540 0.5504608E-02  7.264710 
1 1 1 -25 5  20 o 37.94827 4.663265 73.78220       16.95784 77.98583       24.16416 69.70298       23.80391 38.17634 6.711390 35.90568 7.024658 2.270657       9.715379 
1 1 1 -25 5  21 o 30.87293 5.591093 50.25532       16.27398 50.31660       22.49350 50.18801       23.57428 30.14004 7.621098 30.00812 7.913899 0.1319180      10.98685 
1 1 1 -25 5  22 o 35.83904 5.440059 67.21741       18.48508 66.20705       23.51948 68.85000       29.89696 34.80447 7.143345 34.69534 8.793512 0.1091309      11.32931 
1 1 1 -25 5  23 o 33.30502 5.676891 58.63848       17.84354 56.39725       21.92065 63.04000       30.71938 32.00508 7.174973 32.95353 9.182672 -0.9484482     11.65340 
1 1 1 -25 5  24 o 50.63964 4.340509 130.6951       21.30750 128.9203       26.55972 133.9000       35.69155 49.67665 5.557284 49.33242 7.638040 0.3442268      9.445796 
1 1 1 -25 5  25 o 51.62815 4.417090 136.3918       22.10754 115.0910       26.85295 181.2000       38.94689 46.52882 6.038372 57.76523 7.032886 -11.23641      9.269488 
1 1 1 -25 5  26 o 58.41200 3.811693 172.8224       21.67442 122.3059       28.63317 240.6119       33.16916 47.71674 6.282966 68.16169 5.006432 -20.44495      8.033681 
1 1 1 -25 5  27 o 18.39708 7.013747 14.91110       17.52640 1.126825       22.80700 34.79131       27.38966 16.82911 7.343336 24.97020 8.895653 -8.141087      11.53504 
1 1 1 -25 5  28 o 74.37144 4.124332 282.8925       29.90625 263.1585       36.82835 321.1000       51.24479 70.68423 5.362987 76.36337 6.931231 -5.679146      8.763766 
1 1 1 -25 5  29 o 23.60523 7.709237 31.82425       20.48372 9.069000       29.09338 54.19248       28.84491 19.64894 8.432837 29.63860 9.084057 -9.989666      12.39487 
1 1 1 -25 5  30 o 14.40178 6.629903 -10.39843      21.55127 -27.02886      24.57818 44.92000       44.82632 13.51258 6.477066 27.37336 10.98170 -13.86079      12.74952 
1 1 1 -25 5  31 o 11.84839 5.662324 -20.55267      18.47947 -11.74312      24.78353 -31.58318      27.73220 15.27390 7.059343 14.09495 6.788108 1.178945       9.793505 
1 1 1 -25 5  32 o 30.44327 6.983077 53.47998       20.36524 43.20469       27.51067 65.93739       30.29130 26.45470 8.943159 32.21350 9.168758 -5.758795      12.80805 
1 1 1 -25 5  33 o 27.02747 7.563506 43.50590       20.79351 41.03843       28.29454 46.40331       30.66070 25.79096 9.054881 27.03831 9.430674 -1.247353      13.07396 
1 1 1 -25 5  34 o 34.69180 6.702039 68.71571       21.93450 81.37239       29.77454 53.69502       32.43622 36.27291 8.530183 28.54389 9.710203 7.729025       12.92486 
1 1 1 -25 5  35 o 22.30355 8.258562 28.46985       23.91985 36.70982       28.18863 7.275000       45.20916 24.47108 8.981919 21.65770 9.829245 2.813379       13.31499 
1 1 1 -25 5  36 o 16.00855 7.040510 1.923755       21.33543 -4.842858      28.43305 10.64357       32.27687 16.93422 7.727944 19.90169 8.708807 -2.967470      11.64322 
1 1 1 -25 5  37 o 27.26960 7.890564 46.13856       22.25808 42.80167       30.74846 49.81190       32.26137 25.63464 9.385474 27.16157 9.656713 -1.526934      13.46623 
1 1 1 -25 5  38 o 20.80913 8.177250 23.43987       24.36874 34.81000       38.31762 15.71805       31.57734 23.98217 9.948546 20.30400 8.750548 3.678173       13.24937 
1 1 1 -25 5  39 o 22.69852 8.152235 31.82369       23.05151 7.154903       32.73441 56.09072       32.46675 19.13395 8.550430 28.11198 9.710026 -8.978029      12.93810 
1 1 1 -25 5  40 f 19.30854 7.848316 18.17592       23.23061 13.03059       33.26828 23.07215       32.45298 19.91045 8.772761 21.33315 9.022107 -1.422707      12.58411 
1 1 1 -25 5  41 o 40.22211 6.574281 94.21267       24.98995 71.66763       36.12329 114.9056       34.60767 30.98414 10.24385 42.11639 8.683525 -11.13225      13.42908 
1 1 1 -25 5  42 o 21.77517 8.205974 28.94969       23.82591 40.90514       34.76310 18.35854       32.71953 24.44276 9.715796 20.51511 8.874688 3.927650       13.15890 
1 1 1 -25 5  43 o 24.82257 9.047371 42.11623       28.52535 62.02000       54.42649 34.57830       33.49414 27.06734 11.57353 23.20707 9.427240 3.860270       14.92714 
1 1 1 -25 5  44 o 17.60558 7.934604 3.004717       28.85738 -61.24000      54.12714 28.51722       34.10930 17.35304 8.587549 22.16371 9.304320 -4.810673      12.66161 
1 1 1 -25 5  45 f 11.82860 5.837323 -40.82862      24.39709 -27.53898      34.84410 -53.60988      34.17113 15.71322 7.577852 13.75818 6.811188 1.955036       10.18902 
1 1 1 -25 5  46 o 17.50187 7.881850 3.769088       28.41295 23.21341       35.64972 -30.09000      47.04326 21.27150 9.232473 17.78898 8.632945 3.482517       12.63987 
1 1 1 -25 5  47 o 24.98125 9.365346 45.41454       30.94667 44.85767       39.58394 46.29000       49.63131 24.48979 10.13102 24.59501 10.77990 -0.1052227     14.79337 
1 1 1 -25 5  48 o 29.45542 9.597718 66.24373       31.75750 90.19461       38.97670 18.94000       54.77621 33.03773 10.62209 21.80614 10.21701 11.23159       14.73825 
1 1 1 -25 5  49 o 23.22171 8.754730 38.75041       27.12536 50.17094       38.70744 27.72974       38.02379 24.66287 10.09066 21.34608 9.393067 3.316784       13.78590 
1 1 1 -25 6  1  o 53.31686 5.041736 143.8356       25.99929 105.0000       41.31432 169.3000       33.45429 43.48089 9.926346 57.49394 6.034437 -14.01305      11.61666 
1 1 1 -25 6  2  o 73.38599 4.442087 269.7193       31.75909 318.7000       51.41485 239.5000       40.38481 78.67051 6.741764 68.44984 6.091082 10.22067       9.085850 
1 1 1 -25 6  3  o 84.49603 4.368369 357.0457       36.00682 392.5000       56.85296 333.3000       46.52767 87.37325 6.698741 80.91299 5.915591 6.460258       8.936853 
1 1 1 -25 6  4  o 70.15543 3.569487 244.6145       24.43114 213.4070       30.08906 305.0000       41.85478 65.12622 4.752768 77.55331 5.550337 -12.42709      7.307191 
1 1 1 -25 6  5  o 41.80497 4.536310 88.30357       18.26534 75.61990       22.93463 110.3000       30.20268 38.06276 6.381470 45.90860 6.937369 -7.845844      9.426042 
1 1 1 -25 6  6  o 44.86131 4.384497 101.3823       19.00748 89.35271       23.63631 123.4000       31.97720 41.57812 5.979517 48.59351 6.918065 -7.015392      9.144082 
1 1 1 -25 6  7  o 64.41881 3.655741 206.6544       22.95662 185.6628       28.31759 246.9000       39.20969 60.66437 4.808179 69.55515 5.812230 -8.890785      7.543250 
1 1 1 -25 6  8  o 58.72749 3.871002 172.3010       22.12802 143.5982       27.15742 229.0000       38.16924 53.11042 5.294453 66.90153 5.888729 -13.79111      7.918860 
1 1 1 -25 6  9  o 30.87713 4.794626 48.90640       14.02116 52.11729       21.85064 46.65887       18.28121 31.13262 7.298113 29.65450 6.479612 1.478117       9.759500 
1 1 1 -25 6  10 o 34.24862 4.356243 59.53763       14.27364 58.64556       21.42662 60.24935       19.13857 33.19851 6.821960 33.95105 5.977255 -0.7525330     9.070101 
1 1 1 -25 6  11 o 31.30543 5.721039 51.19053       16.88497 11.06000       41.73302 59.04563       18.46368 24.09056 10.21159 33.64458 5.816949 -9.554026      11.75216 
1 1 1 -25 6  12 o 58.53226 4.028746 171.7216       22.94110 67.61000       50.50684 198.7848       25.75075 34.63559 12.10237 62.93070 4.204552 -28.29511      12.81193 
1 1 1 -25 6  13 o 89.53588 4.196636 401.7766       36.67706 0.000000       0.000000 401.7766       36.67706 ?        ?        89.53588 4.196636 ?              ?        
1 1 1 -25 6  14 o 39.63284 5.905598 81.78851       22.21154 0.000000       0.000000 81.78851       22.21154 ?        ?        39.63284 5.905598 ?              ?        
1 1 1 -25 6  15 o 85.38694 5.700110 373.7000       47.36818 0.000000       0.000000 373.7000       47.36818 ?        ?        85.38694 5.700110 ?              ?        
1 1 1 -25 6  16 o 25.42311 7.251483 34.89901       18.92749 36.26000       48.88390 34.65899       20.52876 28.76908 11.49291 25.36409 7.641094 3.404987       13.80121 
1 1 1 -25 6  17 o 13.27618 6.060924 -9.685769      17.51103 17.76000       48.41821 -13.81588      18.78242 25.96329 11.00198 13.20230 6.117147 12.76099       12.58821 
1 1 1 -25 6  18 o 36.70679 5.960073 70.86128       20.68047 54.57000       51.75633 73.95651       22.55966 31.78467 12.06810 37.32694 6.405078 -5.542271      13.66251 
1 1 1 -25 6  19 o 50.41359 4.748314 129.6162       23.15518 129.2000       55.60242 129.7035       25.46870 45.62905 12.20975 50.20454 5.260748 -4.575485      13.29486 
1 1 1 -25 6  20 o 11.62679 5.325076 -8.344557      13.66120 -9.335390      18.62421 -7.190499      20.09977 13.78283 6.276171 14.74188 6.634918 -0.9590473     9.133042 
1 1 1 -25 6  21 o 19.15188 6.564397 18.17051       14.82929 -1.177972      19.76057 43.11523       22.43704 15.64021 6.829734 27.84144 7.879887 -12.20123      10.42775 
1 1 1 -25 6  22 o 38.05131 4.872950 74.76321       17.73361 59.47702       23.95369 93.30253       26.37969 32.70876 7.623294 41.69725 6.689458 -8.988491      10.14216 
1 1 1 -25 6  23 o 35.41420 5.544608 65.99268       18.58991 53.76318       22.81524 90.15000       32.06601 31.03986 7.576678 39.88400 8.475327 -8.844145      11.36825 
1 1 1 -25 6  24 o 28.89645 6.672322 45.84821       18.49109 48.59414       22.57505 40.25000       32.23358 29.33547 7.748074 26.98543 9.646206 2.350039       12.37263 
1 1 1 -25 6  25 o 65.45977 4.054035 217.4934       25.84829 212.0293       32.02842 227.7000       43.77402 63.92819 5.162302 64.76476 7.017096 -0.8365669     8.711430 
1 1 1 -25 6  26 o 81.09245 3.947695 333.5774       31.24089 318.7710       38.50507 362.1000       53.44270 78.40386 5.044110 81.83515 6.731242 -3.431290      8.411461 
1 1 1 -25 6  27 o 41.61970 4.925285 90.62901       19.67650 70.18686       26.14930 117.3111       29.87492 34.88732 7.848064 46.16437 6.816152 -11.27705      10.39481 
1 1 1 -25 6  28 o 21.80950 7.260334 26.24299       18.13768 7.664625       23.55003 53.33101       28.43652 18.11040 7.673572 29.53185 9.013426 -11.42145      11.83746 
1 1 1 -25 6  29 o 56.07834 4.203789 161.9579       22.90709 153.4074       30.98181 172.2690       34.02227 53.19152 6.058427 56.18298 6.294702 -2.991459      8.736579 
1 1 1 -25 6  30 o 16.63803 7.101474 5.150065       20.42612 10.05000       28.82080 0.2049220      28.95344 19.65285 8.413034 18.15316 8.081392 1.499685       11.66568 
1 1 1 -25 6  31 o 15.13884 6.864567 -5.955531      21.99037 -12.69488      25.29657 14.89000       44.48966 15.29236 7.090257 22.88456 10.11142 -7.592203      12.34960 
1 1 1 -25 6  32 o 15.81355 6.832511 3.147682       19.34693 2.502257       25.85064 3.969535       29.17059 17.56955 7.737560 18.61196 8.207118 -1.042410      11.27948 
1 1 1 -25 6  33 o 18.55882 7.407195 14.69269       20.28669 27.51582       27.38677 -0.8983784     30.19825 22.54668 8.723175 18.10956 8.143148 4.437117       11.93334 
1 1 1 -25 6  34 o 16.10950 7.183206 -0.9819267     22.97088 -0.7829474     26.83812 -1.527000      44.41969 17.21533 7.713977 20.76074 9.543043 -3.545414      12.27090 
1 1 1 -25 6  35 o 17.73241 7.594177 7.957143       23.50186 2.451284       27.68222 22.17000       44.47634 17.82576 7.920805 23.24735 10.19653 -5.421589      12.91156 
1 1 1 -25 6  36 f 53.69619 4.739430 153.1512       24.65467 166.6964       34.44075 138.9140       35.30943 54.08999 6.644465 48.17746 7.750404 5.912525       10.20871 
1 1 1 -25 6  37 o 34.82595 7.714329 73.92479       25.60378 92.20000       40.89106 62.13918       32.83775 35.32067 10.81398 29.91384 9.760428 5.406834       14.56736 
1 1 1 -25 6  38 o 20.55363 7.941037 23.27671       22.67261 -19.03107      31.55492 68.42878       32.59836 15.94273 7.556146 31.22053 9.672730 -15.27781      12.27424 
1 1 1 -25 6  39 o 42.11774 6.147944 100.9695       24.59855 102.2330       34.85941 99.71629       34.71625 39.01168 9.267084 38.42870 9.325196 0.5829811      13.14679 
1 1 1 -25 6  40 o 36.24376 7.207048 79.31548       24.66759 69.29697       35.62436 88.54362       34.19029 30.48383 10.17576 35.58904 9.596979 -5.105206      13.98743 
1 1 1 -25 6  41 o 36.32581 8.520966 85.70474       29.77113 34.37000       57.17751 104.7983       34.87092 24.45023 11.07968 39.48890 9.194014 -15.03867      14.39754 
1 1 1 -25 6  42 o 17.14130 7.416875 7.909250       22.86329 -6.901980      32.68692 22.09692       31.99145 17.25757 8.021372 21.02470 8.927522 -3.767132      12.00179 
1 1 1 -25 6  43 o 16.36069 7.245771 3.453441       22.97516 5.089857       32.88250 1.892554       32.11469 18.64854 8.431189 18.11188 8.245153 0.5366611      11.79269 
1 1 1 -25 6  44 o 19.08340 8.303326 12.97847       28.98410 -7.534000      54.50145 21.06740       34.22508 20.49239 9.774220 20.99698 9.079851 -0.5045967     13.34088 
1 1 1 -25 6  45 o 13.75599 6.677751 -30.72755      28.20336 8.062000       53.13548 -45.94210      33.27798 21.35638 10.02429 13.98951 6.887142 7.366873       12.16220 
1 1 1 -25 6  46 o 11.65813 5.780945 -45.62429      24.99275 21.40291       36.21267 -106.5920      34.53703 21.06991 9.222147 11.38469 5.787448 9.685217       10.88772 
1 1 1 -25 6  47 o 16.85481 7.810018 -3.950608      30.62422 23.63840       37.33982 -60.64000      53.52480 21.25427 9.331915 16.98761 8.429963 4.266657       12.57573 
1 1 1 -25 6  48 o 17.46723 8.033152 1.079196       31.53046 24.83789       38.32695 -48.67000      55.46078 21.24084 9.385089 17.64361 8.724333 3.597229       12.81382 
1 1 1 -25 6  49 o 26.12026 9.351072 53.25679       30.30325 31.51000       51.98587 64.44910       37.29473 22.21826 10.25297 27.29320 10.27073 -5.074934      14.51245 
1 1 1 -25 7  1  o 82.00185 4.354933 336.5542       34.82981 279.5000       52.60109 381.1000       46.47872 73.15137 7.450117 86.71212 5.504473 -13.56075      9.263016 
1 1 1 -25 7  2  o 106.9250 4.457598 572.1979       46.55138 557.0000       69.29167 584.7000       62.84644 103.9482 6.848316 107.1247 6.017751 -3.176498      9.116620 
1 1 1 -25 7  3  o 84.33114 4.372272 356.0064       35.96796 411.3000       58.49996 322.4000       45.60677 89.32791 6.740284 79.51274 5.901932 9.815170       8.959030 
1 1 1 -25 7  4  o 31.56502 7.268034 53.37654       21.99144 65.29000       40.57159 48.42000       26.16930 34.21373 10.81934 29.86556 8.529212 4.348166       13.77699 
1 1 1 -25 7  5  o 27.63507 6.373102 40.46932       16.88724 31.00980       22.02596 53.96000       26.30373 24.53288 7.992997 31.45623 8.389139 -6.923353      11.58731 
1 1 1 -25 7  6  o 15.94654 6.422297 6.742011       15.39455 -8.639207      19.52137 32.04000       25.03559 14.41350 6.508267 25.13462 8.531116 -10.72112      10.73021 
1 1 1 -25 7  7  o 28.51375 5.016210 42.01647       13.48932 25.05614       21.15277 53.64128       17.51229 22.63687 7.836723 32.06525 5.792722 -9.428387      9.745248 
1 1 1 -25 7  8  o 44.23196 3.593174 97.77789       15.42295 107.2394       24.38194 91.46685       19.91306 45.70628 5.564402 42.39748 4.887699 3.308800       7.406225 
1 1 1 -25 7  9  o 35.89836 4.159452 65.14265       14.34545 67.43334       22.44099 63.55973       18.65475 35.70839 6.665539 35.00339 5.636018 0.7050018      8.728924 
1 1 1 -25 7  10 o 67.09837 3.065000 223.2451       20.07706 210.8817       30.10880 233.1438       26.94107 64.60384 4.795536 68.24575 4.051275 -3.641907      6.277738 
1 1 1 -25 7  11 o 41.77260 5.113352 89.28060       20.47213 0.000000       0.000000 89.28060       20.47213 ?        ?        41.77260 5.113352 ?              ?        
1 1 1 -25 7  12 o 37.61128 5.568518 73.25868       19.88191 0.000000       0.000000 73.25868       19.88191 ?        ?        37.61128 5.568518 ?              ?        
1 1 1 -25 7  13 o 19.56656 7.131559 17.15396       17.72366 0.000000       0.000000 17.15396       17.72366 ?        ?        19.56656 7.131559 ?              ?        
1 1 1 -25 7  14 o 29.67742 8.100626 48.45000       24.18506 0.000000       0.000000 48.45000       24.18506 ?        ?        29.67742 8.100626 ?              ?        
1 1 1 -25 7  15 o 18.42681 7.039828 13.40859       17.68082 12.52000       46.24754 13.56069       19.13436 24.94432 10.66722 18.86410 7.293294 6.080219       12.92214 
1 1 1 -25 7  16 o 43.62586 4.922645 97.40340       20.65413 58.31000       48.42975 106.0945       22.83488 32.37320 11.79025 45.42820 5.230681 -13.05500      12.89845 
1 1 1 -25 7  17 f 41.97504 5.148337 90.72822       20.71021 83.88000       49.18618 92.20397       22.83289 37.18292 11.93027 42.09764 5.686383 -4.914722      13.21614 
1 1 1 -25 7  18 o 19.47471 7.243373 16.64656       18.43859 -13.15000      48.88171 21.58951       19.90932 22.36074 10.17664 21.19456 7.580514 1.166172       12.68968 
1 1 1 -25 7  19 o 44.37744 5.246259 101.6534       22.34850 9.782000       53.36094 121.1964       24.61098 25.63562 11.20823 48.49081 5.269824 -22.85518      12.38529 
1 1 1 -25 7  20 f 35.71742 4.904932 65.90039       16.69582 76.99000       23.60073 54.79060       23.62221 37.91770 6.598359 31.40729 7.735649 6.510412       10.16753 
1 1 1 -25 7  21 o 24.40355 6.448958 32.29071       15.63398 19.30974       21.03883 48.29805       23.36294 20.66287 7.726977 29.36546 7.939389 -8.702593      11.07881 
1 1 1 -25 7  22 o 42.23344 4.451514 91.19318       18.12577 98.22593       24.75796 83.06921       26.60948 43.11831 6.030782 38.97853 7.240850 4.139778       9.423388 
1 1 1 -25 7  23 o 18.68008 6.730512 16.49629       15.72690 21.28553       20.38777 9.459039       24.71370 20.98936 7.648994 19.18869 7.977396 1.800673       11.05197 
1 1 1 -25 7  24 o 23.73360 7.366360 30.99983       18.89654 28.11149       23.51914 36.26000       31.73929 23.18892 8.245065 25.95824 9.530323 -2.769323      12.60191 
1 1 1 -25 7  25 o 32.71679 6.622910 58.83340       20.48068 55.17628       25.16367 66.01000       35.25033 30.87861 8.191744 32.77698 10.04144 -1.898369      12.95898 
1 1 1 -25 7  26 o 26.48375 7.457263 39.96641       20.14791 54.44046       24.42455 9.143000       35.64281 30.59987 8.048417 21.34085 9.247218 9.259018       12.25920 
1 1 1 -25 7  27 o 34.84209 6.367118 66.76418       20.91475 64.38595       25.16933 72.07000       37.59416 33.29475 7.851546 33.45307 10.39131 -0.1583176     13.02406 
1 1 1 -25 7  28 o 22.86079 7.266118 29.53222       18.27866 16.60657       23.82530 48.02441       28.49748 19.97438 8.008608 28.03188 9.088682 -8.057497      12.11371 
1 1 1 -25 7  29 o 18.94439 7.223568 16.77332       18.59262 19.18641       24.47967 13.48361       28.58235 20.60776 8.165398 20.24475 8.509116 0.3630123      11.79317 
1 1 1 -25 7  30 o 16.40887 6.899543 6.504458       18.80338 -2.537810      24.47063 19.54060       29.38198 16.47960 7.376468 21.39194 8.776361 -4.912346      11.46459 
1 1 1 -25 7  31 o 52.67491 4.964599 146.6470       25.29541 185.9000       38.71214 117.4003       33.41565 57.33422 7.046061 44.66378 7.934096 12.67044       10.61117 
1 1 1 -25 7  32 f 18.01876 7.532817 10.24954       22.21583 30.35114       26.02631 -43.72000      42.64536 23.11230 8.603846 17.03178 8.254654 6.080524       11.92332 
1 1 1 -25 7  33 o 28.48180 8.039938 49.50864       23.38922 77.97811       27.66204 -21.89000      43.80659 35.92944 8.063961 18.87287 8.932520 17.05657       12.03401 
1 1 1 -25 7  34 o 39.56672 6.864296 89.91949       25.62131 117.4161       30.58985 25.29000       46.89785 45.00723 7.185137 23.93787 10.48571 21.06936       12.71127 
1 1 1 -25 7  35 o 36.16663 6.659972 75.04844       22.70841 44.28644       31.09990 110.1802       33.23545 26.12873 9.457922 42.36782 8.311221 -16.23909      12.59082 
1 1 1 -25 7  36 f 62.24503 4.860116 206.3680       29.37673 264.2000       48.63851 173.1557       36.85918 66.84126 7.567060 54.65179 7.054652 12.18946       10.34546 
1 1 1 -25 7  37 o 16.71134 7.225525 5.871990       21.66702 -16.15103      29.96541 30.00208       31.36616 15.89602 7.482109 22.81726 9.174974 -6.921235      11.83901 
1 1 1 -25 7  38 o 21.14334 8.010465 25.85293       22.77392 30.40512       32.32771 21.36800       32.08799 22.73178 9.251437 21.14587 8.958364 1.585907       12.87794 
1 1 1 -25 7  39 o 26.87483 8.262667 47.06244       23.84120 42.26888       34.51381 51.43733       32.97210 24.89128 9.746471 26.86082 9.736273 -1.969542      13.77638 
1 1 1 -25 7  40 o 32.58649 7.800758 66.71015       24.55080 75.52697       35.66817 58.77222       33.84377 31.92946 10.15029 28.35479 9.906891 3.574667       14.18361 
1 1 1 -25 7  41 o 13.34201 6.358832 -19.27394      22.97585 26.61355       33.07671 -62.05823      31.93870 21.90057 9.176058 12.76750 6.364595 9.133069       11.16728 
1 1 1 -25 7  42 o 31.23275 10.32232 74.40955       36.67985 35.90000       55.96957 103.4000       48.56184 24.31716 10.99633 34.44674 11.87641 -10.12958      16.18544 
1 1 1 -25 7  43 o 12.09931 5.897065 -30.33215      22.60133 -39.53066      32.36026 -21.57174      31.58023 14.25554 6.971374 15.50228 7.406774 -1.246742      10.17155 
1 1 1 -25 7  44 o 16.69906 7.394216 4.293828       23.91504 -2.121775      34.12067 10.48888       33.52905 17.98348 8.301505 19.40943 8.664934 -1.425953      11.99984 
1 1 1 -25 7  45 o 17.30749 7.882915 0.7786433      29.40129 60.70000       54.89490 -23.32460      34.81600 26.47079 11.47302 15.99817 7.679122 10.47262       13.80577 
1 1 1 -25 7  46 o 22.53421 8.990124 32.83817       29.87139 27.54000       55.67728 34.97960       35.39708 23.08023 10.63637 23.05396 9.562556 0.2626610E-01  14.30297 
1 1 1 -25 7  47 o 16.18500 7.580886 -8.737905      30.11642 -25.76659      36.41796 28.10000       53.56393 15.99013 7.720242 22.66783 10.44135 -6.677693      12.98553 
1 1 1 -25 7  48 o 21.50748 8.848856 29.98369       29.97904 55.35645       38.02374 -11.70000      48.73648 25.82924 10.19471 18.80576 9.041974 7.023478       13.62679 
1 1 1 -25 7  49 o 23.11694 9.089763 39.43718       30.12706 37.24000       50.57533 40.64566       37.50801 22.73255 10.34802 23.09771 9.730205 -0.3651600     14.20417 
1 1 1 -25 8  1  o 105.1605 4.415984 553.9008       45.35432 505.3000       67.09232 594.8000       61.54721 98.75166 6.986097 108.0663 5.840210 -9.314644      9.105691 
1 1 1 -25 8  2  o 60.87476 4.615175 186.6550       27.29504 212.8000       47.41905 173.7000       33.37936 63.44497 7.799656 58.17185 5.945710 5.273117       9.807451 
1 1 1 -25 8  3  o 34.98098 6.772435 64.80111       22.35095 19.52000       40.57995 84.52000       26.77899 25.21314 10.32567 39.93621 7.111207 -14.72307      12.53750 
1 1 1 -25 8  4  o 44.80437 5.748602 103.3601       24.63077 72.53000       43.92551 117.5000       29.74758 35.70206 11.25346 47.47064 6.578672 -11.76858      13.03531 
1 1 1 -25 8  5  o 58.58765 4.853370 173.5767       27.58320 159.4000       47.26187 180.9000       33.96849 53.92582 9.289001 59.36173 5.925132 -5.435913      11.01784 
1 1 1 -25 8  6  o 65.37344 3.560407 212.8141       22.69681 124.6000       48.29940 237.8146       25.71266 46.66211 10.79012 69.02917 3.820368 -22.36707      11.44648 
1 1 1 -25 8  7  o 71.39208 3.481576 253.5463       24.25608 289.4000       53.60592 244.3154       27.19992 74.21065 7.481758 69.89960 3.992054 4.311050       8.480165 
1 1 1 -25 8  8  o 49.05467 3.418187 119.9491       16.31011 102.5575       26.05363 131.1574       20.91558 44.43000 6.156003 51.06938 4.221793 -6.639381      7.464578 
1 1 1 -25 8  9  o 52.52468 3.298931 137.3026       16.87501 126.5666       26.97463 144.2059       21.63036 49.62704 5.653751 53.57728 4.157055 -3.950241      7.017550 
1 1 1 -25 8  10 o 43.20798 4.812215 95.01830       20.00741 0.000000       0.000000 95.01830       20.00741 ?        ?        43.20798 4.812215 ?              ?        
1 1 1 -25 8  11 o 36.75204 5.624839 70.10635       19.59205 0.000000       0.000000 70.10635       19.59205 ?        ?        36.75204 5.624839 ?              ?        
1 1 1 -25 8  12 o 58.50589 5.651824 175.8000       31.96392 0.000000       0.000000 175.8000       31.96392 ?        ?        58.50589 5.651824 ?              ?        
1 1 1 -25 8  13 o 14.87313 6.385306 0.5009109      16.69094 0.000000       0.000000 0.5009109      16.69094 ?        ?        14.87313 6.385306 ?              ?        
1 1 1 -25 8  14 o 22.97161 6.953382 27.96699       16.97098 48.81000       46.09243 24.69822       18.25330 30.57395 11.43627 21.97330 7.282470 8.600649       13.55812 
1 1 1 -25 8  15 o 38.41224 5.389503 76.42493       19.70726 57.38000       48.45995 80.19872       21.57159 32.20515 11.78384 39.20323 5.796008 -6.998081      13.13212 
1 1 1 -25 8  16 o 60.08160 4.174139 181.9545       24.39528 140.5000       53.01501 193.0902       27.47720 48.45638 11.37373 61.72064 4.580818 -13.26426      12.26155 
1 1 1 -25 8  17 o 21.13733 7.239460 22.39525       18.03527 15.91000       47.56184 23.48437       19.49093 25.44770 10.84825 21.68928 7.521859 3.758421       13.20086 
1 1 1 -25 8  18 o 29.51105 6.916741 47.35936       19.62950 67.81000       49.30325 43.50700       21.39862 33.88187 11.94805 28.10069 7.598661 5.781185       14.15965 
1 1 1 -25 8  19 o 21.79424 7.553651 23.94042       19.65469 32.67000       48.64712 22.23744       21.48647 27.80315 11.33628 21.59269 7.854859 6.210457       13.79166 
1 1 1 -25 8  20 o 14.36686 6.489114 -7.591236      19.42332 22.49000       50.51743 -12.80960      21.04072 26.51058 11.23611 14.21990 6.547888 12.29069       13.00480 
1 1 1 -25 8  21 o 23.59033 6.649303 30.21252       16.01011 19.21372       21.63200 43.53477       23.80744 20.72910 7.817450 27.84806 8.189881 -7.118961      11.32196 
1 1 1 -25 8  22 o 16.23440 6.451125 8.708686       15.32177 8.684469       20.62461 8.738509       22.88826 17.89748 7.349004 18.56623 7.694245 -0.6687584     10.63999 
1 1 1 -25 8  23 o 41.83859 4.573003 90.03962       18.42309 88.43305       25.06171 91.92852       27.17475 40.47781 6.548934 41.01246 7.021651 -0.5346527     9.601672 
1 1 1 -25 8  24 o 29.26535 6.907994 47.59924       19.46837 51.20998       23.96963 40.60000       33.37250 29.87566 8.026481 26.94811 9.791290 2.927547       12.66072 
1 1 1 -25 8  25 o 43.02355 5.208173 97.13161       21.48704 92.70596       26.11801 106.4000       37.79673 41.14357 6.716859 42.11766 9.406083 -0.9740829     11.55814 
1 1 1 -25 8  26 f 49.12834 4.774995 125.4492       22.67276 119.5299       27.50443 138.0000       40.05023 47.09946 6.109806 48.48890 8.760674 -1.389442      10.68078 
1 1 1 -25 8  27 o 51.58910 4.835556 139.0138       24.13342 113.9151       29.01950 195.3000       43.45753 45.36088 6.740442 58.52874 7.777954 -13.16786      10.29224 
1 1 1 -25 8  28 o 62.69318 4.933167 205.9472       30.02905 96.99000       54.34399 253.8392       36.02921 36.03741 12.55622 69.23361 5.358244 -33.19620      13.65172 
1 1 1 -25 8  29 o 12.21244 5.777229 -17.07536      18.28084 -22.15080      24.08146 -10.17275      28.08356 13.83532 6.569999 16.52194 7.592167 -2.686621      10.04021 
1 1 1 -25 8  30 o 24.03916 7.504213 33.71568       19.57970 28.23007       25.92462 40.99949       29.87302 22.72261 8.560469 25.92402 9.284029 -3.201408      12.62833 
1 1 1 -25 8  31 o 35.67655 6.158390 70.67608       20.72878 76.41280       27.66793 63.33619       31.29605 35.63992 8.113726 31.31285 9.434792 4.327068       12.44379 
1 1 1 -25 8  32 o 15.78052 7.039352 -1.670249      22.08326 3.475012       25.86199 -15.52000      42.43060 17.68403 7.765284 19.18742 8.990742 -1.503386      11.87994 
1 1 1 -25 8  33 o 18.83971 7.685710 14.29803       22.37520 14.03176       26.08296 15.04000       43.53959 19.51648 8.160779 22.45531 9.958241 -2.938831      12.87497 
1 1 1 -25 8  34 o 21.17631 7.614336 25.26521       20.11650 39.68261       26.37832 5.225724       31.09904 25.19522 8.749785 18.97809 8.416183 6.217127       12.14046 
1 1 1 -25 8  35 o 16.85024 7.315318 5.046128       22.39272 -21.08000      32.80215 27.84758       30.64405 16.24868 7.701997 22.55813 9.069454 -6.309450      11.89856 
1 1 1 -25 8  36 o 22.75715 8.224112 30.99349       23.50291 55.73000       35.22634 11.14750       31.55256 28.23280 10.08498 19.76806 8.631285 8.464741       13.27426 
1 1 1 -25 8  37 o 42.85932 5.910588 102.9376       24.13656 124.4429       33.98949 81.06205       34.28087 44.96994 8.015742 34.10227 9.769341 10.86767       12.63694 
1 1 1 -25 8  38 o 17.63946 7.463076 10.66273       22.22138 -4.858023      30.92025 27.24170       31.95695 17.24401 7.939416 22.10736 9.119994 -4.863348      12.09168 
1 1 1 -25 8  39 o 17.30226 7.445930 8.598186       22.79905 8.222577       32.78185 8.950065       31.72935 19.16358 8.560638 19.08581 8.480423 0.7776833E-01  12.04998 
1 1 1 -25 8  40 o 29.41588 8.076509 55.67363       23.96019 76.64864       34.31800 35.72518       33.46766 32.55038 9.895194 23.61310 9.483468 8.937279       13.70588 
1 1 1 -25 8  41 o 16.25645 7.190060 3.336055       22.55031 27.83242       32.56292 -19.23771      31.25895 22.01099 9.154392 15.66864 7.453381 6.342346       11.80490 
1 1 1 -25 8  42 o 27.20246 8.262008 48.91815       23.93191 56.61876       34.77671 41.99097       32.98406 27.49690 9.994508 24.59288 9.557093 2.904018       13.82853 
1 1 1 -25 8  43 o 33.31418 7.845648 70.54272       25.15848 83.68842       36.77712 58.98009       34.49166 33.21390 10.27127 27.99890 9.981700 5.214998       14.32247 
1 1 1 -25 8  44 o 51.04296 6.433271 151.7080       31.42962 147.0347       39.21629 160.1000       52.55163 47.18524 8.814970 44.04785 11.90670 3.137386       14.81463 
1 1 1 -25 8  45 o 19.39701 8.022181 18.90301       24.81116 18.22903       36.09237 19.50689       34.16358 20.60414 9.105415 20.57616 8.982772 0.2798462E-01  12.79057 
1 1 1 -25 8  46 o 17.92750 8.396539 -5.740462      36.93612 14.84000       55.39935 -22.21000      49.55846 21.89553 10.26404 18.59398 8.984424 3.301558       13.64076 
1 1 1 -25 8  47 o 16.03200 7.336291 -1.624515      25.85453 -18.03388      38.25641 12.17124       35.07770 16.91127 8.099424 19.42377 8.751585 -2.512499      11.92438 
1 1 1 -25 8  48 o 15.84726 7.620100 -20.46132      34.62954 5.682000       49.05582 -46.43000      48.89170 20.02779 9.471221 16.68135 8.237969 3.346443       12.55262 
1 1 1 -25 8  49 o 16.12558 7.556499 -6.252235      29.98061 -10.93391      37.60921 1.909000       49.65598 17.06774 8.134821 19.59699 9.342263 -2.529245      12.38762 
1 1 1 -25 9  1  o 47.66298 5.076049 115.6742       23.31781 117.5000       42.73225 114.9000       27.82559 45.80611 9.825324 47.06911 6.189347 -1.263000      11.61228 
1 1 1 -25 9  2  o 62.33622 4.562399 195.7402       27.64533 200.5000       48.15254 193.4000       33.76441 61.21455 8.245857 61.48944 5.673814 -0.2748871     10.00931 
1 1 1 -25 9  3  o 31.74191 7.039572 53.96909       21.29856 34.89000       40.81216 61.11000       24.96823 27.82264 10.67902 33.57358 7.754099 -5.750944      13.19726 
1 1 1 -25 9  4  o 38.49127 6.363111 77.64996       23.13693 50.62000       41.92147 89.49000       27.74536 30.95664 11.00774 41.04807 7.166015 -10.09144      13.13476 
1 1 1 -25 9  5  o 51.33963 3.767387 131.8264       18.80029 137.5000       45.85375 130.6799       20.61247 49.63411 9.786151 50.99371 4.165865 -1.359600      10.63594 
1 1 1 -25 9  6  o 25.01895 6.161723 33.22604       14.98843 32.49000       40.38045 33.34365       16.14157 27.28633 10.58261 25.01532 6.525163 2.271006       12.43260 
1 1 1 -25 9  7  o 46.94414 4.040332 110.7401       18.38497 23.49000       43.19389 130.0443       20.31728 26.20506 10.68302 50.87382 4.115141 -24.66876      11.44820 
1 1 1 -25 9  8  o 30.32768 5.558495 48.02470       15.89282 27.29000       42.34951 51.42350       17.14597 26.64091 10.67875 31.32765 5.805222 -4.686737      12.15468 
1 1 1 -25 9  9  o 43.88515 4.738478 97.92683       20.03226 0.000000       0.000000 97.92683       20.03226 ?        ?        43.88515 4.738478 ?              ?        
1 1 1 -25 9  10 o 26.05859 6.623609 36.39008       16.92819 0.000000       0.000000 36.39008       16.92819 ?        ?        26.05859 6.623609 ?              ?        
1 1 1 -25 9  11 o 32.01630 7.555617 55.82000       23.29406 0.000000       0.000000 55.82000       23.29406 ?        ?        32.01630 7.555617 ?              ?        
1 1 1 -25 9  12 o 31.16433 6.486501 51.83994       19.14227 0.000000       0.000000 51.83994       19.14227 ?        ?        31.16433 6.486501 ?              ?        
1 1 1 -25 9  13 o 51.14698 4.276650 132.1094       21.21484 49.95000       49.94185 150.1991       23.43427 31.07281 11.84119 54.49740 4.431289 -23.42460      12.64318 
1 1 1 -25 9  14 o 45.81051 4.500125 106.5726       19.91868 97.43000       48.97649 108.3845       21.80331 40.10949 11.73329 46.04456 4.913527 -5.935066      12.72057 
1 1 1 -25 9  15 o 38.64049 5.075713 76.95572       18.73381 140.5000       49.35293 66.25844       20.24936 49.04406 10.59098 35.43723 6.055065 13.60682       12.19970 
1 1 1 -25 9  16 o 30.41394 6.504891 49.71470       18.77900 17.35000       48.00177 55.56319       20.40532 25.70924 10.92686 32.11459 6.708038 -6.405354      12.82163 
1 1 1 -25 9  17 o 13.05185 5.976532 -10.01627      17.19650 -38.05000      47.08181 -5.700691      18.47278 19.66457 9.293230 14.34028 6.414673 5.324288       11.29213 
1 1 1 -25 9  18 o 24.44213 7.448159 32.34423       19.42772 -75.73000      48.07496 53.43838       21.23923 17.29204 8.464926 31.27459 7.100853 -13.98254      11.04885 
1 1 1 -25 9  19 o 39.46972 5.834277 81.94246       21.86184 52.57000       49.37183 89.10617       24.38249 30.89197 11.77314 40.97411 6.279246 -10.08213      13.34301 
1 1 1 -25 9  20 o 21.73886 7.753283 23.44109       20.81237 -35.17000      49.28443 36.16163       22.96004 20.23911 9.547580 25.64581 8.142692 -5.406700      12.54830 
1 1 1 -25 9  21 o 62.26078 3.624894 194.7485       21.99549 173.3661       31.47058 215.1688       30.75443 57.67897 5.646435 64.78637 4.885736 -7.107399      7.466769 
1 1 1 -25 9  22 o 31.33058 5.864891 52.50772       17.32511 63.56565       24.50153 41.45000       24.50129 33.68944 7.610287 27.07225 8.385540 6.617186       11.32403 
1 1 1 -25 9  23 o 43.90131 5.862430 102.2567       24.56281 217.5000       57.77268 76.82833       27.13773 60.31111 10.14613 36.90882 7.758408 23.40229       12.77250 
1 1 1 -25 9  24 o 20.85313 7.075927 22.89069       17.22305 32.53812       22.87815 10.27144       26.16567 24.23501 8.155476 19.51075 8.167121 4.724262       11.54182 
1 1 1 -25 9  25 f 65.50930 5.754814 227.4358       36.52656 299.9000       62.31155 189.5000       45.08495 71.45747 9.115992 57.56051 8.236540 13.89697       12.28584 
1 1 1 -25 9  26 o 38.13387 5.966983 78.77285       21.54299 59.19512       25.43262 128.5000       40.53281 31.68242 8.153572 46.07373 9.308416 -14.39131      12.37446 
1 1 1 -25 9  27 o 48.23667 4.967583 122.3233       23.11966 94.10249       27.37084 192.6000       43.19263 40.82816 7.106954 57.94951 7.813632 -17.12135      10.56227 
1 1 1 -25 9  28 o 37.51648 6.313324 77.76115       22.36150 66.06022       26.28688 108.4000       42.53681 33.28819 8.137136 40.47921 10.60907 -7.191021      13.37032 
1 1 1 -25 9  29 o 38.04441 5.582543 78.30135       20.17070 62.76622       26.73657 98.82356       30.72984 32.11016 8.408746 40.97848 7.948088 -8.868320      11.57061 
1 1 1 -25 9  30 o 24.24666 7.531434 34.46242       19.74865 14.76040       25.98925 61.38294       30.37946 19.79708 8.201137 30.99003 9.286142 -11.19295      12.38915 
1 1 1 -25 9  31 o 14.05622 6.498756 -10.73037      21.02980 -17.25252      24.29325 8.771000       42.00712 14.35621 6.750947 21.62074 9.672142 -7.264531      11.79515 
1 1 1 -25 9  32 o 12.98152 6.183180 -21.01641      21.65484 -14.23219      25.06093 -41.01000      43.02217 14.94425 6.972061 17.25518 8.345664 -2.310932      10.87473 
1 1 1 -25 9  33 o 27.57340 7.494259 45.65117       20.75162 46.64346       27.77075 44.39653       31.22678 27.01573 8.983520 26.29283 9.482593 0.7229023      13.06228 
1 1 1 -25 9  34 o 25.08061 8.197863 38.84304       23.16032 35.14000       33.80910 42.11725       31.79123 24.26369 9.601718 25.64014 9.515925 -1.376448      13.51835 
1 1 1 -25 9  35 o 17.59901 7.806167 3.145584       26.76752 2.518000       34.19943 4.138000       43.00606 19.10021 8.620342 20.78191 9.491627 -1.681704      12.82191 
1 1 1 -25 9  36 o 33.85286 7.102028 68.03447       22.78122 67.76705       31.53084 68.32652       32.95108 31.50239 9.465250 31.34901 9.726973 0.1533813      13.57221 
1 1 1 -25 9  37 o 36.59681 6.739107 78.47422       23.25155 65.10209       32.19638 93.05049       33.61477 30.39345 9.641479 37.19794 9.266727 -6.804491      13.37275 
1 1 1 -25 9  38 o 16.69522 7.252975 6.015219       22.04377 47.43361       30.47388 -39.44449      31.92599 26.20208 9.377711 14.25604 6.961458 11.94604       11.67918 
1 1 1 -25 9  39 o 15.85698 7.044261 1.724403       21.88092 -16.22422      30.37775 21.07735       31.54377 15.79608 7.464960 20.87963 8.865336 -5.083543      11.58964 
1 1 1 -25 9  40 o 29.02437 7.932207 53.85503       23.17318 27.42295       32.37724 81.61609       33.18120 22.03987 9.144059 34.08477 9.560207 -12.04490      13.22919 
1 1 1 -25 9  41 o 27.66010 8.101441 49.92755       23.33674 48.35198       32.85761 51.53134       33.15061 25.95369 9.666172 26.61569 9.745105 -0.6620064     13.72596 
1 1 1 -25 9  42 o 47.02658 5.817994 125.1191       26.21014 90.37050       37.47259 158.4020       36.67378 34.59989 10.30050 50.69292 7.627083 -16.09304      12.81689 
1 1 1 -25 9  43 o 17.42295 7.838937 3.150586       28.02966 7.973050       34.25784 -6.616000      48.75249 19.18039 8.644716 19.82375 9.394574 -0.6433582     12.76672 
1 1 1 -25 9  44 o 38.44072 7.199394 90.33012       26.09379 119.7444       36.98936 61.19142       36.81565 41.65621 9.306631 27.92671 10.26233 13.72950       13.85384 
1 1 1 -25 9  45 o 15.47771 7.279433 -12.30970      28.26453 31.52511       34.65053 -99.47000      48.86070 22.43219 9.394838 14.69186 7.400006 7.740324       11.95923 
1 1 1 -25 9  46 o 21.26286 8.419820 28.12319       26.01412 40.13485       39.05437 18.54320       34.87791 23.67223 9.947917 20.32851 8.968678 3.343723       13.39396 
1 1 1 -25 9  47 o 27.53132 10.20042 62.49766       36.50084 0.000000       0.000000 62.49766       36.50084 ?        ?        27.53132 10.20042 ?              ?        
1 1 1 -25 9  48 o 14.56372 6.890692 -12.69364      26.02725 -53.90881      37.44152 25.84578       36.20575 14.15200 7.027560 20.93402 9.190279 -6.782028      11.56926 
1 1 1 -25 10 1  o 98.82925 4.393335 490.0645       42.39349 518.7000       68.04715 471.9000       54.19635 99.82484 7.008639 96.11465 5.787499 3.710190       9.089343 
1 1 1 -25 10 2  f 88.46332 4.360129 392.6921       37.63818 362.1000       59.49970 413.1000       48.59694 83.04647 7.396931 90.06492 5.539279 -7.018448      9.241115 
1 1 1 -25 10 3  o 53.50532 3.660131 143.0191       19.05357 113.2000       45.94153 149.2136       20.93932 44.34043 10.70721 54.56779 3.946982 -10.22736      11.41153 
1 1 1 -25 10 4  o 25.62768 5.895833 34.74982       14.48175 48.67000       41.45815 32.81527       15.45533 30.44105 10.93284 24.82585 6.338914 5.615200       12.63759 
1 1 1 -25 10 5  o 49.44592 3.816323 122.4879       18.32780 116.8000       44.00807 123.6814       20.15922 45.33274 10.16879 49.56992 4.194117 -4.237183      10.99977 
1 1 1 -25 10 6  o 58.72810 3.634825 172.2058       20.79228 102.7000       46.35979 189.7073       23.26321 41.90394 11.11988 61.56741 3.879955 -19.66347      11.77734 
1 1 1 -25 10 7  o 16.80156 6.391900 10.89278       14.53695 52.50000       47.14920 6.522113       15.28141 31.53723 11.60944 15.79338 6.385108 15.74385       13.24948 
1 1 1 -25 10 8  o 41.26060 4.904121 86.96996       19.41925 0.000000       0.000000 86.96996       19.41925 ?        ?        41.26060 4.904121 ?              ?        
1 1 1 -25 10 9  o 14.74732 6.549751 -4.829000      18.90536 0.000000       0.000000 -4.829000      18.90536 ?        ?        14.74732 6.549751 ?              ?        
1 1 1 -25 10 10 f 24.22817 6.998864 31.42208       17.52510 0.000000       0.000000 31.42208       17.52510 ?        ?        24.22817 6.998864 ?              ?        
1 1 1 -25 10 11 o 71.81503 3.778811 258.0200       26.46950 147.8000       61.89194 282.6923       29.28257 48.82884 12.79697 75.08226 3.998847 -26.25342      13.40721 
1 1 1 -25 10 12 o 42.68054 4.688569 92.89320       19.26524 55.82000       52.08561 98.76899       20.73581 32.17025 12.13080 43.94302 4.904375 -11.77277      13.08470 
1 1 1 -25 10 13 o 78.65370 3.688950 309.3097       28.32152 273.1000       61.42055 319.0876       31.91718 70.22971 9.152365 79.69030 4.105627 -9.460587      10.03105 
1 1 1 -25 10 14 o 30.97995 6.021669 50.92926       17.60219 16.79000       48.59397 56.08521       18.88467 25.77089 10.97500 32.49331 6.163013 -6.722422      12.58703 
1 1 1 -25 10 15 o 45.85795 4.551010 107.0662       20.15889 75.79000       50.64478 112.9546       21.97475 35.44310 12.13166 46.99406 4.846653 -11.55097      13.06396 
1 1 1 -25 10 16 o 8.946848 4.453869 -37.67636      15.41796 -50.42000      44.50591 -35.93842      16.43570 18.05749 8.671414 9.575860 4.737623 8.481629       9.881219 
1 1 1 -25 10 17 o 12.56520 5.830238 -12.90410      17.15375 43.81000       46.96064 -21.63657      18.42710 29.37143 11.40650 11.96295 5.699645 17.40848       12.75125 
1 1 1 -25 10 18 o 44.66484 5.158703 103.0926       22.13944 116.9000       51.42896 99.95177       24.52859 43.25579 11.81505 43.62836 5.894427 -0.3725700     13.20378 
1 1 1 -25 10 19 o 21.08387 7.632959 21.44409       20.25697 26.60000       48.66079 20.36329       22.27920 26.71662 11.15723 21.15902 7.943417 5.557600       13.69605 
1 1 1 -25 10 20 o 20.51258 7.641094 19.31623       20.53415 -18.96000      48.46055 27.69253       22.66990 21.39088 9.881142 23.14017 8.106514 -1.749287      12.78094 
1 1 1 -25 10 21 o 47.10648 5.230310 115.3065       23.71048 85.22000       51.88864 123.2466       26.65618 36.27505 12.28211 48.44408 5.732423 -12.16903      13.55400 
1 1 1 -25 10 22 o 67.43362 3.545899 228.7442       23.32277 218.9183       33.37817 238.1186       32.60227 64.89636 5.300692 67.95823 4.934790 -3.061867      7.242201 
1 1 1 -25 10 23 o 11.33515 5.387608 -17.92240      16.26639 -26.38815      21.91180 -7.529498      24.27804 12.76280 6.117135 15.99903 7.237857 -3.236227      9.476598 
1 1 1 -25 10 24 o 27.34535 6.952536 42.06404       18.64775 19.12850       24.93030 71.19521       28.09648 20.97752 8.262552 34.89275 8.340055 -13.91524      11.73994 
1 1 1 -25 10 25 o 46.29721 4.623319 111.2540       20.67160 99.83867       27.38583 126.3715       31.51532 42.47557 6.817475 47.77348 6.942578 -5.297909      9.730228 
1 1 1 -25 10 26 o 42.99318 5.333588 98.32017       21.96424 85.65574       26.18288 128.4000       40.35174 38.91687 7.136331 45.83730 9.311725 -6.920433      11.73181 
1 1 1 -25 10 27 o 21.61822 7.682701 25.35525       20.41790 26.16585       24.11046 23.30000       38.39143 22.20270 8.278012 23.45770 9.860769 -1.254997      12.87479 
1 1 1 -25 10 28 o 30.24275 7.364115 53.26513       21.59306 44.65992       25.60398 74.46000       40.18299 27.10046 8.598055 33.04620 10.79794 -5.945740      13.80298 
1 1 1 -25 10 29 o 33.17171 7.001017 63.22709       22.01661 57.36395       25.73140 79.25000       42.53724 30.62172 8.354437 33.49909 11.11763 -2.877369      13.90677 
1 1 1 -25 10 30 o 28.50821 7.572076 48.32825       21.48419 58.90593       24.61239 14.47000       44.03426 31.22049 8.013910 22.65261 10.03179 8.567879       12.83977 
1 1 1 -25 10 31 f 25.72405 7.899925 39.90514       21.80145 49.15239       25.16697 12.10000       43.64022 28.14230 8.456427 22.21666 9.903980 5.925640       13.02306 
1 1 1 -25 10 32 o 39.49917 5.614446 85.22337       21.09640 80.03493       27.64960 92.45208       32.63629 36.41306 7.978526 38.35526 8.869910 -1.942196      11.93031 
1 1 1 -25 10 33 o 24.85125 8.148795 37.94931       22.87576 65.45000       33.72650 14.51776       31.13150 30.94358 9.873919 20.36843 8.732080 10.57515       13.18118 
1 1 1 -25 10 34 o 16.24863 7.238256 0.1453768      23.26612 -40.87000      35.22342 31.89097       30.98845 15.22476 7.407204 23.36597 9.209277 -8.141211      11.81852 
1 1 1 -25 10 35 o 55.58117 5.233903 167.0624       28.13953 234.2000       46.19780 127.4605       35.48106 62.65813 7.693783 45.47212 8.276403 17.18600       11.30014 
1 1 1 -25 10 36 o 35.68016 7.795156 78.36456       26.46121 78.01181       32.33315 79.08000       46.04677 33.84728 9.416712 31.28135 11.48004 2.565933       14.84809 
1 1 1 -25 10 37 o 42.88360 5.979528 103.9745       24.41785 138.6173       34.95861 70.97240       34.12074 47.55059 7.779678 31.31841 9.924275 16.23218       12.61010 
1 1 1 -25 10 38 o 28.19534 8.043922 51.25905       23.28787 44.51240       32.55170 58.33222       33.33012 25.31722 9.580301 28.29591 9.834899 -2.978691      13.72980 
1 1 1 -25 10 39 o 25.55050 8.186343 42.44934       23.16511 19.85678       31.62150 68.61759       34.03197 20.69184 8.833889 30.59119 9.933150 -9.899342      13.29305 
1 1 1 -25 10 40 o 30.47366 7.834155 59.16179       23.49607 50.40257       32.64927 68.57136       33.83961 26.43369 9.672310 30.45948 9.906119 -4.025797      13.84503 
1 1 1 -25 10 41 o 31.22241 7.925971 62.47775       24.26151 54.69038       34.09890 70.46189       34.52702 27.16519 9.893256 30.69524 10.00786 -3.530050      14.07245 
1 1 1 -25 10 42 o 24.49596 8.456324 39.93591       24.62285 6.929548       34.67997 73.48843       34.96572 19.12972 8.652698 31.22586 10.06267 -12.09614      13.27127 
1 1 1 -25 10 43 o 16.81795 7.359408 6.334380       23.04954 28.27643       33.05351 -14.43594      32.15885 21.97513 9.187654 16.26574 7.685038 5.709394       11.97801 
1 1 1 -25 10 44 o 25.90339 8.973071 47.35528       27.73379 46.89429       34.48075 48.20000       46.67517 25.19324 9.776768 25.03933 10.71234 0.1539078      14.50309 
1 1 1 -25 10 45 o 31.92094 8.131224 67.01735       25.47286 77.39113       35.89821 56.49682       36.15126 31.55619 10.19832 26.92220 10.11612 4.633997       14.36460 
1 1 1 -25 10 46 o 16.91740 7.629388 3.309703       26.72967 -14.74000      42.95599 14.71466       34.14567 17.97909 8.603227 19.66070 8.762834 -1.681608      12.28018 
1 1 1 -25 10 47 o 18.19787 8.154716 9.470833       29.99726 64.58000       59.96773 -8.920794      34.64302 25.58310 11.49180 16.90031 7.982284 8.682789       13.99208 
1 1 1 -25 10 48 o 36.28240 9.083611 95.62124       32.18307 90.46000       61.67904 97.55212       37.72581 27.53492 12.04415 34.36723 10.35954 -6.832312      15.88652 
1 1 1 -25 11 1  o 56.56374 3.860349 160.2526       21.24516 152.4255       28.59282 169.9000       31.74404 54.55540 5.426292 57.48755 5.717028 -2.932148      7.882199 
1 1 1 -25 11 2  o 106.9211 4.440181 574.4753       46.36861 675.8000       76.77770 516.3000       58.17638 113.9114 6.918535 100.3166 5.951467 13.59486       9.126122 
1 1 1 -25 11 3  o 60.96337 3.512793 185.3426       20.87300 128.4000       47.85636 198.7199       23.19559 47.21077 10.61458 63.04190 3.776288 -15.83113      11.26631 
1 1 1 -25 11 4  o 69.51306 3.444477 240.6523       23.36367 154.7000       49.45698 265.3442       26.50799 52.34908 10.01669 72.89391 3.727553 -20.54483      10.68778 
1 1 1 -25 11 5  o 44.09335 4.129815 98.03825       17.61678 71.58000       44.63226 102.9211       19.17356 35.14328 11.37262 45.09947 4.399215 -9.956192      12.19383 
1 1 1 -25 11 6  o 57.95765 4.054585 168.6869       22.85679 0.000000       0.000000 168.6869       22.85679 ?        ?        57.95765 4.054585 ?              ?        
1 1 1 -25 11 7  o 45.26709 4.642032 104.1335       20.27718 0.000000       0.000000 104.1335       20.27718 ?        ?        45.26709 4.642032 ?              ?        
1 1 1 -25 11 8  o 23.47850 7.880769 28.35000       21.36370 0.000000       0.000000 28.35000       21.36370 ?        ?        23.47850 7.880769 ?              ?        
1 1 1 -25 11 9  o 40.68396 5.044329 84.97166       19.65780 0.000000       0.000000 84.97166       19.65780 ?        ?        40.68396 5.044329 ?              ?        
1 1 1 -25 11 10 o 21.92218 6.759864 25.25665       15.94318 -14.43000      48.04962 30.16653       16.90065 22.15899 10.08670 23.73730 6.877830 -1.578306      12.20844 
1 1 1 -25 11 11 o 22.31837 6.804067 26.33479       16.21049 4.642000       47.91417 29.13876       17.22633 24.19494 10.59851 23.36767 6.990445 0.8272743      12.69625 
1 1 1 -25 11 12 o 13.92654 6.032801 -0.6559314     15.16135 8.470000       47.59077 -1.686757      15.99472 24.54734 10.66066 14.07142 6.144635 10.47591       12.30472 
1 1 1 -25 11 13 o 18.81814 6.809762 16.22460       16.12101 15.37000       49.51414 16.32593       17.05001 25.70887 11.01680 19.06046 6.987186 6.648417       13.04572 
1 1 1 -25 11 14 o 22.34438 6.968154 26.41925       16.88679 56.74000       51.40674 22.75163       17.87897 32.01182 12.05576 21.21461 7.209271 10.79721       14.04688 
1 1 1 -25 11 15 o 43.13339 4.854314 95.42908       20.13956 21.89000       50.94511 109.0502       21.92553 26.69254 11.29706 46.10664 4.934925 -19.41410      12.32789 
1 1 1 -25 11 16 o 21.27662 7.165786 23.16815       17.66228 -22.99000      47.83208 30.45543       19.00544 21.06104 9.759615 23.78823 7.388247 -2.727184      12.24076 
1 1 1 -25 11 17 o 42.13731 5.239136 92.06128       21.14355 82.15000       51.11995 94.10673       23.22305 36.22977 12.19085 42.37619 5.746710 -6.146420      13.47744 
1 1 1 -25 11 18 o 14.21800 6.390071 -6.291992      18.56949 -39.88000      48.51295 -0.5260069     20.10029 19.68342 9.340720 15.85648 6.906777 3.826941       11.61691 
1 1 1 -25 11 19 o 46.20166 5.158203 110.5507       22.92966 53.71000       51.23038 124.7899       25.64139 30.93342 11.94073 48.97018 5.441133 -18.03676      13.12200 
1 1 1 -25 11 20 o 20.60307 7.661252 19.79095       20.62514 3.557000       49.01972 23.28310       22.73556 23.67294 10.52840 21.89340 8.061300 1.779541       13.26015 
1 1 1 -25 11 21 o 14.24690 6.482782 -8.691039      19.82527 39.76000       46.32143 -19.55655      21.93591 27.91219 11.17512 13.58264 6.395831 14.32955       12.87595 
1 1 1 -25 11 22 o 31.13035 7.461698 54.78596       22.44054 49.83911       26.60265 66.99000       41.78422 29.19173 8.676039 32.59307 11.02163 -3.401344      14.02676 
1 1 1 -25 11 23 o 62.55067 3.767803 198.2699       22.96192 175.7179       31.64919 223.3331       33.36482 57.63468 5.684030 65.36816 5.258887 -7.733475      7.743648 
1 1 1 -25 11 24 o 27.46472 6.898505 42.56513       18.51817 28.29563       25.08979 59.64037       27.44581 23.08201 8.473554 31.59794 8.631332 -8.515924      12.09550 
1 1 1 -25 11 25 o 55.84839 5.216028 164.4508       28.18411 223.0000       56.57691 145.1255       32.50434 59.97938 9.987829 51.35197 6.620520 8.627411       11.98282 
1 1 1 -25 11 26 o 51.80054 4.867632 140.7189       24.39152 135.6862       29.54100 151.5000       43.23714 49.87397 6.183614 49.87428 9.195449 -0.3089905E-03 11.08122 
1 1 1 -25 11 27 o 27.23708 7.712233 43.82821       21.48764 41.80096       25.65709 48.59000       39.32238 26.31349 8.630068 27.76754 10.52457 -1.454046      13.61046 
1 1 1 -25 11 28 o 21.06562 7.696921 23.73761       20.66380 24.77420       24.17938 20.93000       39.79321 21.72452 8.248556 23.06392 9.879708 -1.339405      12.87040 
1 1 1 -25 11 29 o 30.22093 8.349356 56.04453       25.51671 56.04453       25.51671 0.000000       0.000000 30.22093 8.349356 ?        ?        ?              ?        
1 1 1 -25 11 30 f 21.01212 7.805404 23.71535       21.39832 30.90286       24.25146 -1.553000      45.47127 23.11323 8.353881 21.03675 9.664566 2.076477       12.77463 
1 1 1 -25 11 31 f 23.84288 7.458816 33.59259       19.33276 26.44249       24.92937 44.38063       30.62152 21.99983 8.370228 26.41897 9.406478 -4.419138      12.59137 
1 1 1 -25 11 32 o 17.81379 7.388449 11.12717       21.12914 19.23000       29.37090 2.435812       30.41886 20.93649 8.699703 18.46350 8.247227 2.472996       11.98756 
1 1 1 -25 11 33 o 24.68529 8.119158 37.49474       22.70265 32.11000       32.98212 42.34327       31.29693 23.60320 9.436580 25.65306 9.455926 -2.049868      13.35903 
1 1 1 -25 11 34 o 21.01964 7.822990 24.80908       21.51415 39.84562       29.51360 7.758862       31.42774 24.95723 9.185483 19.24653 8.501457 5.710703       12.51590 
1 1 1 -25 11 35 o 29.01367 7.733625 52.17904       22.36106 37.74302       30.93629 67.97261       32.35823 24.34131 9.308932 31.34019 9.624327 -6.998875      13.38969 
1 1 1 -25 11 36 o 22.46560 8.281232 30.87464       24.00428 21.14000       36.33538 38.41327       31.97539 21.59016 9.345972 24.26832 9.415698 -2.678165      13.26660 
1 1 1 -25 11 37 o 27.39367 8.574314 49.79363       25.54417 30.20543       31.32936 88.64000       44.11939 22.54478 9.132384 32.99464 11.32225 -10.44986      14.54626 
1 1 1 -25 11 38 o 16.62433 7.239989 5.954038       22.07847 5.549186       30.54709 6.396855       31.94730 18.36708 8.229935 18.73520 8.403989 -0.3681183     11.76260 
1 1 1 -25 11 39 o 29.99239 7.835584 57.12253       23.25202 81.74414       32.62906 31.71821       33.14363 34.24533 9.433894 22.81381 9.336098 11.43151       13.27257 
1 1 1 -25 11 40 o 13.32887 6.323595 -16.78962      22.20712 13.18985       31.64347 -45.88430      31.17303 19.53621 8.583700 13.50537 6.652085 6.030837       10.85956 
1 1 1 -25 11 41 o 12.19332 5.943435 -30.53121      22.97307 -57.02224      32.21216 -3.110128      32.77274 13.06994 6.494986 17.60149 8.128981 -4.531548      10.40506 
1 1 1 -25 11 42 o 17.79143 7.559390 11.77650       22.96232 -21.43162      32.76308 43.83646       32.19172 15.75250 7.531198 24.88165 9.500762 -9.129143      12.12367 
1 1 1 -25 11 43 f 18.87662 8.053123 14.85084       26.24524 30.64509       33.13531 -11.74000      42.99397 22.30903 9.252647 18.50461 8.784807 3.804424       12.75870 
1 1 1 -25 11 44 o 24.83254 8.421300 41.86166       24.39474 79.74092       35.11517 6.527698       33.91488 32.30875 10.04399 18.77414 8.517715 13.53461       13.16941 
1 1 1 -25 11 45 o 15.20304 7.102513 -9.389241      26.15254 23.92000       42.30534 -29.99182      33.27159 21.68314 9.702772 15.01573 7.280774 6.667412       12.13068 
1 1 1 -25 11 46 o 16.41626 7.360414 3.538644       24.47496 -13.60351      34.55361 20.79880       34.67233 16.54288 7.859826 20.44486 8.983957 -3.901978      11.93685 
1 1 1 -25 11 47 o 23.48194 8.569524 39.36447       25.60340 27.70296       36.95518 50.12911       35.50567 21.27393 9.313710 24.88166 9.841757 -3.607733      13.55011 
1 1 1 -25 11 48 o 19.46337 8.473200 19.64908       30.21625 16.54000       57.94812 20.81010       35.41146 21.14024 10.08192 20.06433 8.934450 1.075905       13.47106 
1 1 1 -25 12 1  o 64.57949 3.021665 207.0537       19.04765 187.2308       30.62059 219.5657       24.32728 60.55230 5.217085 66.24885 3.767061 -5.696545      6.434961 
1 1 1 -25 12 2  o 77.44971 4.349044 301.9275       32.83762 313.3000       55.49434 295.8000       40.73456 76.89119 7.467288 76.02637 5.511263 0.8648148      9.280863 
1 1 1 -25 12 3  o 42.25309 3.635094 89.55579       14.88820 73.44460       25.25426 98.13790       18.43182 36.91809 7.247421 44.02765 4.333060 -7.109558      8.443964 
1 1 1 -25 12 4  o 56.55588 3.709200 160.1163       20.42023 87.81000       51.18205 173.8048       22.26942 38.14783 12.16261 58.87016 3.886367 -20.72232      12.76843 
1 1 1 -25 12 5  o 58.93900 3.981233 174.4444       22.83341 0.000000       0.000000 174.4444       22.83341 ?        ?        58.93900 3.981233 ?              ?        
1 1 1 -25 12 6  o 31.34548 7.625474 53.82000       23.16953 0.000000       0.000000 53.82000       23.16953 ?        ?        31.34548 7.625474 ?              ?        
1 1 1 -25 12 7  o 42.44793 4.869527 92.17294       19.86658 0.000000       0.000000 92.17294       19.86658 ?        ?        42.44793 4.869527 ?              ?        
1 1 1 -25 12 8  o 53.16605 4.234171 142.6857       21.85288 0.000000       0.000000 142.6857       21.85288 ?        ?        53.16605 4.234171 ?              ?        
1 1 1 -25 12 9  o 65.09399 3.770046 212.2764       23.91837 123.2000       56.38978 231.8183       26.41202 44.54701 12.45152 67.94093 3.989138 -23.39391      13.07492 
1 1 1 -25 12 10 o 29.68686 7.420105 48.30584       21.50057 56.04000       49.75512 46.53000       23.84151 31.91142 11.89286 28.98201 8.094690 2.929409       14.38625 
1 1 1 -25 12 11 o 88.40268 4.843401 396.9908       41.75031 362.5000       67.26997 418.6000       53.24635 81.39063 8.572432 89.84347 6.090768 -8.452843      10.51589 
1 1 1 -25 12 12 o 31.89049 5.869328 53.77862       17.64637 -14.41000      50.11699 63.42885       18.85375 22.47358 10.25741 34.74798 5.743712 -12.27440      11.75605 
1 1 1 -25 12 13 o 41.04599 4.841903 86.47821       19.07935 55.43000       52.54375 91.19371       20.47701 31.81033 12.14004 42.07008 5.075057 -10.25975      13.15815 
1 1 1 -25 12 14 o 17.13722 6.799208 9.749530       16.99437 77.53000       50.95170 1.265211       18.02665 35.59379 12.16876 15.48945 6.642644 20.10434       13.86375 
1 1 1 -25 12 15 o 21.99298 7.205896 25.31954       17.88963 84.52000       51.07578 17.04126       19.09951 36.78234 12.18160 19.66445 7.360481 17.11789       14.23264 
1 1 1 -25 12 16 o 29.36980 6.796335 47.10345       19.15056 32.38000       49.73894 49.66594       20.75025 27.70317 11.39795 30.03281 7.160056 -2.329649      13.46030 
1 1 1 -25 12 17 o 52.01472 4.583589 138.1963       23.09814 97.06000       52.88713 147.8923       25.67641 38.82153 12.36199 53.64037 4.945970 -14.81885      13.31471 
1 1 1 -25 12 18 o 26.24690 7.469784 38.23092       20.10640 -31.30000      48.82288 52.43167       22.06430 20.37286 9.577194 30.69606 7.425189 -10.32320      12.11842 
1 1 1 -25 12 19 o 14.99613 6.598971 -2.127184      18.76771 14.78000       47.07825 -5.321784      20.46411 24.64468 10.65321 15.08010 6.748155 9.564583       12.61065 
1 1 1 -25 12 20 o 14.53056 6.548928 -6.503889      19.66000 7.808000       47.63836 -9.441790      21.58375 23.71655 10.47178 14.80627 6.747717 8.910286       12.45752 
1 1 1 -25 12 21 o 47.34857 5.370513 117.6079       24.45111 65.23000       50.96471 133.2687       27.86780 32.08212 12.02038 50.17729 5.779448 -18.09517      13.33760 
1 1 1 -25 12 22 f 39.27006 5.351175 81.49779       20.03459 71.46877       28.99473 90.66102       27.71495 34.83913 8.563968 40.26302 7.301154 -5.423893      11.25382 
1 1 1 -25 12 23 o 18.80980 7.052074 16.48268       17.54737 11.50811       24.27553 21.92606       25.39367 19.14771 7.928583 21.60673 8.388706 -2.459023      11.54265 
1 1 1 -25 12 24 f 54.10190 4.093926 150.1340       21.51908 133.2694       29.43931 169.4836       31.53367 49.52507 6.208994 56.24287 5.811580 -6.717808      8.504474 
1 1 1 -25 12 25 o 27.87929 6.943892 44.46260       18.87758 27.64253       24.98104 66.85440       28.82313 22.66832 8.431088 33.06116 8.765527 -10.39284      12.16214 
1 1 1 -25 12 26 o 40.35653 5.324047 87.07994       20.51859 86.32840       26.68534 88.16690       32.09244 38.82713 7.289148 37.99875 8.801461 0.8283806      11.42792 
1 1 1 -25 12 27 o 18.71488 7.417117 14.99343       20.20302 2.118418       23.45726 51.98000       39.75809 16.91060 7.411441 28.26120 10.61099 -11.35060      12.94305 
1 1 1 -25 12 28 o 32.30862 8.221086 63.47411       26.05868 63.47411       26.05868 0.000000       0.000000 32.30862 8.221086 ?        ?        ?              ?        
1 1 1 -25 12 29 o 25.87629 8.507810 41.10614       24.92903 41.10614       24.92903 0.000000       0.000000 25.87629 8.507810 ?        ?        ?              ?        
1 1 1 -25 12 30 o 30.72863 7.681460 56.63615       23.03975 75.09757       27.38321 11.89000       42.63140 35.16125 8.120203 21.99118 9.797082 13.17007       12.72480 
1 1 1 -25 12 31 o 27.44696 7.977327 46.20586       22.70420 61.83000       32.62978 31.54158       31.61159 30.36152 9.714602 23.56459 9.297130 6.796926       13.44656 
1 1 1 -25 12 32 o 38.88767 6.602648 86.36927       24.23469 79.95000       35.61208 91.90631       33.07449 34.08043 10.01493 37.79453 9.058537 -3.714096      13.50392 
1 1 1 -25 12 33 o 21.40279 7.802560 26.27003       21.21745 36.72675       28.66865 13.60588       31.54988 24.25886 9.030165 20.14936 8.715541 4.109497       12.55008 
1 1 1 -25 12 34 o 19.76628 7.654345 20.24541       21.10082 27.85583       28.80656 11.43436       30.99567 22.27577 8.847603 19.66701 8.571525 2.608765       12.31873 
1 1 1 -25 12 35 o 16.95089 7.242126 7.957744       21.28069 24.97605       29.47498 -10.57293      30.75679 21.58365 8.815097 16.62265 7.744671 4.960999       11.73396 
1 1 1 -25 12 36 o 19.30205 7.640556 19.11682       21.41438 18.73743       29.50563 19.53908       31.12849 20.30946 8.596553 20.64946 8.788632 -0.3399982     12.29393 
1 1 1 -25 12 37 o 14.43433 6.691231 -8.976761      22.51414 0.6266000      33.70139 -16.71700      30.25613 18.34084 8.386436 15.70142 7.429114 2.639421       11.20375 
1 1 1 -25 12 38 o 33.07850 8.039618 69.87075       25.77280 69.99456       31.11259 69.60000       46.00823 31.57054 9.382594 28.91599 11.27311 2.654554       14.66684 
1 1 1 -25 12 39 o 17.56572 7.442945 11.11459       22.15655 15.39292       30.97800 6.633729       31.70274 19.78899 8.597523 18.65165 8.368724 1.137339       11.99804 
1 1 1 -25 12 40 o 25.86835 8.277742 44.32577       23.69082 45.78478       33.63298 42.88895       33.37626 25.30006 9.698527 24.73131 9.612946 0.5687466      13.65541 
1 1 1 -25 12 41 o 15.40236 6.971264 -1.637057      22.55459 4.597026       31.77865 -7.964892      32.01671 18.32277 8.285747 16.89828 7.882615 1.424494       11.43631 
1 1 1 -25 12 42 o 30.32555 8.724933 62.85936       27.28671 72.56419       34.20720 45.88000       45.24643 31.06995 9.947203 24.92402 10.60145 6.145933       14.53745 
1 1 1 -25 12 43 o 19.80920 7.937792 21.75742       23.39178 7.446103       33.15941 35.93412       33.00309 18.77754 8.480227 23.11951 9.370258 -4.341970      12.63788 
1 1 1 -25 12 44 o 17.27280 7.703380 5.351423       26.43126 9.348000       44.32334 3.145916       32.92628 20.42583 9.440517 18.19201 8.307377 2.233818       12.57521 
1 1 1 -25 12 45 f 15.50988 7.099536 -2.643917      24.23724 5.783522       35.24868 -10.20187      33.38082 18.70013 8.560545 16.68629 7.867284 2.013847       11.62657 
1 1 1 -25 12 46 o 16.94047 7.496738 7.260509       24.54790 -55.03870      35.12423 66.74520       34.32165 13.65528 6.785249 28.70679 9.979974 -15.05151      12.06812 
1 1 1 -25 12 47 o 13.85831 6.608180 -16.03932      24.87681 17.64364       35.85360 -47.30861      34.54512 19.72476 8.870897 13.84422 6.852809 5.880544       11.20954 
1 1 1 -25 13 1  o 17.67743 5.870706 15.46444       11.86063 0.9892229      22.04068 21.36474       14.07179 16.96094 7.310252 20.30526 6.365188 -3.344313      9.693059 
1 1 1 -25 13 2  o 16.16626 5.920862 11.25691       12.23875 -8.046978      22.41840 19.45274       14.60760 15.55422 7.003276 19.65931 6.514717 -4.105088      9.564905 
1 1 1 -25 13 3  o 41.49563 3.956283 86.87411       15.87500 43.25000       30.07171 103.7285       18.69179 28.15828 9.347823 45.26805 4.268854 -17.10978      10.27643 
1 1 1 -25 13 4  o 37.79481 4.261330 72.55425       15.49012 91.98000       32.10207 66.65862       17.68519 40.79650 8.321304 35.89679 5.183171 4.899708       9.803538 
1 1 1 -25 13 5  o 34.48304 6.017017 62.71318       19.57090 35.28000       33.27659 77.22000       24.19842 26.54529 9.756293 38.03088 6.747555 -11.48559      11.86232 
1 1 1 -25 13 6  o 55.33148 4.106524 154.2849       22.08238 0.000000       0.000000 154.2849       22.08238 ?        ?        55.33148 4.106524 ?              ?        
1 1 1 -25 13 7  o 58.97992 3.781581 174.5014       21.71649 179.8000       58.05350 173.6394       23.41659 55.18089 11.13258 58.70852 4.100676 -3.527630      11.86380 
1 1 1 -25 13 8  o 35.96564 5.076006 66.86849       17.37339 58.87000       49.21114 68.00733       18.56907 32.32264 11.86699 36.14830 5.414466 -3.825661      13.04384 
1 1 1 -25 13 9  o 60.36232 3.820358 182.9486       22.45651 128.3000       55.22099 193.7771       24.58087 45.46620 12.16852 62.02457 4.071319 -16.55837      12.83155 
1 1 1 -25 13 10 o 45.96639 4.412836 107.3718       19.61115 68.00000       52.36280 113.7955       21.15054 33.97012 12.27562 47.24547 4.633076 -13.27535      13.12083 
1 1 1 -25 13 11 o 61.06223 3.897603 187.4872       23.17412 168.2000       56.95745 191.3134       25.36885 52.94195 11.33320 61.53648 4.237617 -8.594528      12.09954 
1 1 1 -25 13 12 o 30.42492 6.260261 49.59935       18.02131 35.88000       51.81279 51.48748       19.22145 28.68193 11.69753 30.89750 6.558674 -2.215574      13.41076 
1 1 1 -25 13 13 o 36.88010 5.507125 71.12293       19.27215 17.62000       52.05535 79.62119       20.74634 26.20002 11.26274 39.02217 5.591100 -12.82215      12.57417 
1 1 1 -25 13 14 o 43.43446 4.887094 97.07700       20.41726 54.16000       52.28665 104.7983       22.17800 31.28673 12.06689 45.04250 5.121118 -13.75577      13.10861 
1 1 1 -25 13 15 o 30.00588 6.679176 49.03773       19.11237 76.25000       50.11761 44.40684       20.67475 34.99810 12.06521 28.29728 7.386546 6.700827       14.14674 
1 1 1 -25 13 16 o 18.53207 7.128359 13.94767       18.21169 5.604000       48.70018 15.30417       19.63637 23.97254 10.58619 19.24636 7.402236 4.726183       12.91745 
1 1 1 -25 13 17 o 37.48664 5.769072 74.29352       20.49068 63.24000       51.04058 76.41729       22.37274 32.41617 12.05237 37.78732 6.268318 -5.371143      13.58497 
1 1 1 -25 13 18 o 24.73460 7.474316 33.88229       19.62084 -37.35000      47.29174 48.69318       21.56440 19.41792 9.216950 29.46149 7.468899 -10.04357      11.86325 
1 1 1 -25 13 19 f 40.29314 5.763914 86.16100       22.08603 74.27000       50.69035 88.94732       24.53759 33.85959 12.09741 40.60858 6.383572 -6.748989      13.67835 
1 1 1 -25 13 20 o 16.99550 7.183000 5.350054       20.54887 29.54000       47.45078 -0.2336311     22.79745 26.26759 10.99708 16.66086 7.304101 9.606731       13.20173 
1 1 1 -25 13 21 o 39.46088 6.259750 84.44418       23.37229 23.60000       48.51691 102.8313       26.67105 25.39534 10.89430 43.48267 6.462613 -18.08733      12.66693 
1 1 1 -25 13 22 o 15.76855 7.007078 -2.614452      21.66689 -17.43000      47.58257 1.261089       24.33633 20.67504 9.632777 17.26680 7.558780 3.408237       12.24441 
1 1 1 -25 13 23 o 15.16219 6.522329 2.267929       17.48033 -19.59802      24.23135 25.99479       25.24141 14.24467 6.712062 22.40056 8.445218 -8.155893      10.78765 
1 1 1 -25 13 24 o 31.03907 6.602981 54.18513       19.44388 29.83891       27.10587 79.99223       27.90725 23.38510 8.765352 36.89979 7.960640 -13.51470      11.84074 
1 1 1 -25 13 25 o 25.40862 7.258708 37.42665       18.95066 10.71520       25.44920 70.67338       28.39226 19.03044 8.015738 34.12249 8.525643 -15.09205      11.70208 
1 1 1 -25 13 26 f 30.44431 6.748365 52.82956       19.58153 38.11492       25.14316 75.51215       31.21702 25.22967 8.549564 34.70232 9.085285 -9.472654      12.47547 
1 1 1 -25 13 27 o 17.73808 7.572001 7.399128       23.22807 7.399128       23.22807 0.000000       0.000000 17.73808 7.572001 ?        ?        ?              ?        
1 1 1 -25 13 28 o 20.74469 8.147047 21.12828       24.17657 21.12828       24.17657 0.000000       0.000000 20.74469 8.147047 ?        ?        ?              ?        
1 1 1 -25 13 29 o 33.57712 7.040312 65.38400       22.39828 48.28188       26.46162 108.6000       42.06429 27.69789 8.734980 39.73599 10.61397 -12.03810      13.74614 
1 1 1 -25 13 30 o 62.38811 5.386527 209.6279       32.57217 185.4000       42.06663 245.9000       51.47150 55.87702 7.912343 63.63108 8.474527 -7.754055      11.59408 
1 1 1 -25 13 31 o 54.32725 5.982281 163.3535       31.28604 142.5000       40.19647 195.4000       49.82980 47.52272 8.970079 54.90637 9.622273 -7.383652      13.15487 
1 1 1 -25 13 32 o 12.72150 6.025744 -17.11215      20.00845 -10.22080      26.10015 -26.93439      31.15992 15.59234 7.219819 15.26369 7.310171 0.3286419      10.27445 
1 1 1 -25 13 33 o 18.78415 7.533177 16.15813       21.08570 25.07648       28.22726 4.898968       31.71607 21.67505 8.707923 18.87485 8.426771 2.800194       12.11769 
1 1 1 -25 13 34 o 30.20101 7.570742 56.11338       22.33503 73.68421       31.76379 38.92945       31.41215 32.85300 9.401420 24.51342 9.378888 8.339579       13.27969 
1 1 1 -25 13 35 o 14.65737 6.650330 -3.742990      20.67777 -23.66043      28.95947 16.97341       29.53459 14.74876 7.059203 20.02686 8.543334 -5.278098      11.08246 
1 1 1 -25 13 36 o 25.13091 7.888354 40.34180       21.60509 63.79282       30.14323 15.56679       30.98246 30.23092 9.290075 19.93635 8.630101 10.29457       12.68007 
1 1 1 -25 13 37 o 23.80495 7.934395 36.20002       21.66057 61.82453       29.70345 7.097869       31.65495 29.70061 9.238385 18.75264 8.392118 10.94797       12.48100 
1 1 1 -25 13 38 o 12.13715 5.925616 -32.13269      23.09934 -11.50000      35.42342 -47.39695      30.46845 17.36361 8.161058 13.24721 6.534746 4.116399       10.45494 
1 1 1 -25 13 39 o 16.73391 7.563911 0.6132286      26.44844 6.438696       33.40291 -9.177000      43.30273 18.86851 8.517235 18.86628 8.914914 0.2225876E-02  12.32960 
1 1 1 -25 13 40 o 18.72506 7.687726 16.75297       22.56550 18.91369       32.03286 14.62444       31.79336 20.35947 8.794154 19.68467 8.627806 0.6748009      12.31975 
1 1 1 -25 13 41 o 27.35762 8.877612 52.13028       27.18591 75.65551       33.98127 10.30000       45.31250 31.86930 9.876111 20.80203 9.589694 11.06726       13.76589 
1 1 1 -25 13 42 o 30.95916 7.937662 62.18701       24.16543 85.32879       34.32310 39.44017       34.02895 34.08439 9.778886 23.84744 9.567804 10.23696       13.68099 
1 1 1 -25 13 43 o 18.10936 7.806937 12.10891       25.14817 24.96000       40.96748 4.338206       31.85662 21.78854 9.661240 18.13478 8.238507 3.653753       12.69695 
1 1 1 -25 13 44 o 13.08017 6.276061 -20.92513      23.20525 15.32856       33.85034 -53.06746      31.87320 19.78923 8.777987 13.09663 6.500144 6.692609       10.92268 
1 1 1 -25 13 45 o 14.88786 6.880129 -5.528971      23.53126 -12.58115      33.37496 1.442037       33.18232 16.38959 7.768838 17.79820 8.205436 -1.408609      11.29974 
1 1 1 -25 13 46 o 21.52906 8.277300 31.12714       24.54753 9.648563       34.80718 52.38078       34.62444 18.77553 8.561385 25.37649 9.810949 -6.600958      13.02122 
1 1 1 -25 13 47 o 13.90048 6.581603 -12.94738      23.82553 -34.91745      33.67252 9.079861       33.71630 14.43932 7.071774 18.44944 8.417861 -4.010122      10.99411 
1 1 1 -25 14 1  o 74.65512 4.137840 280.5630       30.11877 249.2000       45.25534 305.5000       40.35361 68.73478 6.816156 77.18902 5.374547 -8.454239      8.680192 
1 1 1 -25 14 2  f 53.85794 3.516515 145.1773       18.43686 143.2000       36.37783 145.8608       21.38711 51.61227 7.413215 53.77567 4.093892 -2.163399      8.468513 
1 1 1 -25 14 3  o 22.37033 6.993824 26.44759       17.00017 33.17000       28.22388 22.62000       21.29693 25.41353 9.032561 21.71955 7.831366 3.693981       11.95481 
1 1 1 -25 14 4  o 38.49504 5.019279 76.39245       18.46267 0.000000       0.000000 76.39245       18.46267 ?        ?        38.49504 5.019279 ?              ?        
1 1 1 -25 14 5  f 33.09128 6.074502 58.08739       18.95086 41.10000       30.37829 68.91000       24.24744 27.52573 9.396472 35.61545 7.203184 -8.089722      11.83974 
1 1 1 -25 14 6  o 77.57648 3.135732 299.4320       23.76180 250.8010       38.18419 330.1662       30.35552 69.71120 5.644195 81.14313 3.832736 -11.43193      6.822521 
1 1 1 -25 14 7  f 63.09573 3.354667 198.7451       20.64391 129.8726       34.23457 238.0990       25.87828 49.10885 7.347406 68.86507 3.854490 -19.75622      8.297075 
1 1 1 -25 14 8  o 18.17212 6.714617 14.48732       15.79745 89.94000       50.29312 6.227986       16.63963 38.10887 12.04539 16.11772 6.607673 21.99116       13.73873 
1 1 1 -25 14 9  o 44.75924 4.481434 102.0484       19.37010 64.74000       53.37057 107.7083       20.78752 33.33220 12.33718 45.91030 4.691685 -12.57811      13.19917 
1 1 1 -25 14 10 o 77.63357 3.676431 301.9690       27.85778 227.3000       62.32216 320.6136       31.14217 62.35078 10.59004 79.83181 3.998077 -17.48103      11.31961 
1 1 1 -25 14 11 o 39.96093 5.049152 82.52467       19.30960 -34.36000      52.31254 100.9623       20.77682 21.05919 9.904123 44.33166 4.868047 -23.27247      11.03583 
1 1 1 -25 14 12 o 35.22387 5.728693 65.42560       19.07336 106.2000       53.25256 59.42512       20.42866 40.76304 12.31262 33.20017 6.519043 7.562870       13.93192 
1 1 1 -25 14 13 o 30.71894 6.418184 51.00388       18.67552 53.52000       51.14479 50.61678       20.06074 31.00420 11.94058 30.40554 6.899216 0.5986614      13.79045 
1 1 1 -25 14 14 o 37.23986 5.692802 73.08386       20.09310 98.55000       53.58057 68.91649       21.67489 38.98780 12.44586 35.80933 6.419610 3.178478       14.00396 
1 1 1 -25 14 15 o 61.14867 4.169828 189.5331       24.80876 132.7000       56.64992 203.0191       27.59568 45.20027 12.42211 63.12162 4.495821 -17.92135      13.21065 
1 1 1 -25 14 16 o 65.63894 4.056940 218.1048       25.93813 158.2000       56.82509 233.8710       29.15228 50.00056 11.80175 67.77119 4.418715 -17.77063      12.60184 
1 1 1 -25 14 17 o 42.74934 5.279360 95.52874       21.62218 49.37000       50.96299 105.6616       23.87781 29.81028 11.79109 44.83657 5.559757 -15.02629      13.03613 
1 1 1 -25 14 18 o 30.53475 7.074142 52.04561       20.72829 31.77000       49.90029 56.27380       22.78732 26.95697 11.28095 31.56913 7.488219 -4.612160      13.54006 
1 1 1 -25 14 19 o 19.41659 7.590132 15.69470       20.90242 -13.91000      48.15532 22.56742       23.20216 21.33766 9.854218 21.56210 8.103837 -0.2244415     12.75844 
1 1 1 -25 14 20 o 23.42092 7.926363 30.35435       21.61085 -12.72000      46.85616 41.99294       24.35608 21.05125 9.721392 26.85394 8.367581 -5.802685      12.82661 
1 1 1 -25 14 21 o 21.63647 7.853774 24.39524       21.46464 23.25000       45.91926 24.71544       24.28063 24.78579 10.61504 22.07319 8.291286 2.712593       13.46939 
1 1 1 -25 14 22 o 27.69100 7.957239 45.17960       22.70926 40.11000       46.22516 46.79241       26.07249 26.95432 11.02752 27.88231 8.652518 -0.9279900     14.01686 
1 1 1 -25 14 23 o 17.76236 7.035808 12.69342       18.16999 -2.507688      25.40490 28.61238       25.99784 16.82010 7.523363 22.98083 8.590362 -6.160730      11.41908 
1 1 1 -25 14 24 o 31.89766 6.493275 57.08522       19.58343 15.23327       26.70562 105.7710       28.80353 20.14564 8.326452 43.25446 7.045394 -23.10882      10.90722 
1 1 1 -25 14 25 o 38.56924 5.657266 80.72957       20.72309 59.48989       27.07489 110.7731       32.20090 31.06270 8.607652 43.48097 7.854949 -12.41827      11.65298 
1 1 1 -25 14 26 o 20.09301 7.737440 19.92120       21.47376 7.724082       24.07816 67.33000       47.47054 18.00264 7.697767 30.58921 11.57059 -12.58657      13.89728 
1 1 1 -25 14 27 o 31.84782 6.829427 58.29380       20.65083 36.65040       25.92897 95.83614       34.14942 24.66403 8.667403 38.99012 9.112528 -14.32609      12.57625 
1 1 1 -25 14 28 o 34.13483 7.287852 68.24630       23.60924 53.13281       28.20779 103.6000       43.14238 28.82985 9.008260 38.30338 10.95526 -9.473528      14.18332 
1 1 1 -25 14 29 o 64.72223 5.291911 224.8256       33.23284 213.1000       43.76175 240.8000       51.07875 60.36161 7.572989 62.91106 8.513080 -2.549442      11.39398 
1 1 1 -25 14 30 o 17.50686 7.501980 7.629351       22.95942 4.953451       26.97184 14.67000       43.75039 18.00330 7.916984 22.18804 9.902171 -4.184738      12.67800 
1 1 1 -25 14 31 o 19.17442 7.809342 16.05570       23.05489 -7.324982      27.04934 78.15000       44.08125 16.23439 7.456733 31.97410 11.29563 -15.73971      13.53492 
1 1 1 -25 14 32 f 26.79154 8.385146 45.83573       24.43001 31.31471       28.99511 81.37000       45.35760 23.00770 8.955092 32.14133 11.44778 -9.133635      14.53428 
1 1 1 -25 14 33 o 28.67062 7.668147 50.91198       21.93775 33.05803       29.71388 72.30494       32.52578 23.28236 9.064444 32.35207 9.587933 -9.069708      13.19442 
1 1 1 -25 14 34 o 35.54888 6.721577 74.21584       22.53192 88.96906       31.07563 57.86234       32.71764 36.90216 8.738976 28.46693 9.750674 8.435230       13.09371 
1 1 1 -25 14 35 o 42.21475 5.675671 99.74639       22.85877 105.2697       31.59105 93.67647       33.11729 40.78547 8.197842 37.26394 9.148094 3.521526       12.28382 
1 1 1 -25 14 36 o 33.44015 7.010642 67.51064       22.21266 50.88527       30.18116 87.15851       32.81013 26.80360 9.356117 35.46339 9.328580 -8.659782      13.21209 
1 1 1 -25 14 37 o 30.62239 7.520413 58.50402       22.37465 40.55948       30.55072 79.26443       32.86043 24.45458 9.274924 33.44911 9.559226 -8.994530      13.31927 
1 1 1 -25 14 38 o 18.50496 8.028646 11.60697       26.93794 8.337000       53.54501 12.71505       31.16972 21.54859 10.09801 19.35740 8.511690 2.191185       13.20676 
1 1 1 -25 14 39 o 42.67479 6.837171 108.5016       27.59580 190.7000       47.65589 67.03478       33.84816 52.58868 9.612112 29.87372 9.917430 22.71496       13.81116 
1 1 1 -25 14 40 o 28.84348 8.870861 57.77075       27.47736 52.92355       34.24632 66.53000       46.03646 26.58046 9.874333 27.92853 11.15449 -1.348068      14.89715 
1 1 1 -25 14 41 o 17.28484 7.463886 9.198596       23.06139 13.07972       32.31835 5.172270       32.91737 19.48091 8.612294 18.52950 8.400684 0.9514065      12.03092 
1 1 1 -25 14 42 o 17.34932 7.627878 7.745779       25.02649 4.434000       39.76052 9.918738       32.20678 19.35739 8.944824 18.91208 8.464099 0.4453087      12.31466 
1 1 1 -25 14 43 o 26.80272 8.754924 50.41359       26.41693 62.96000       42.98628 42.79984       33.48649 27.25332 10.81334 24.31466 9.576316 2.938665       14.44418 
1 1 1 -25 14 44 o 25.07748 8.325696 43.41196       23.85483 45.17532       34.10850 41.72363       33.37509 24.46165 9.655380 23.84310 9.505920 0.6185493      13.54950 
1 1 1 -25 14 45 o 14.77606 6.860187 -6.429075      23.80417 18.96145       34.19764 -30.29488      33.15494 19.97751 8.844175 14.77389 7.187522 5.203626       11.39649 
1 1 1 -25 14 46 f 18.81801 7.879197 19.22224       24.36291 34.62602       34.93308 4.634825       33.99480 21.99890 9.334568 17.94514 8.284652 4.053759       12.48077 
1 1 1 -25 15 1  o 32.55497 9.648726 61.20000       32.93864 61.20000       32.93864 0.000000       0.000000 32.55497 9.648726 ?        ?        ?              ?        
1 1 1 -25 15 2  o 56.83655 4.584304 164.2462       25.28773 125.2000       39.14956 192.2000       33.12515 47.27983 8.782732 60.96060 5.614425 -13.68077      10.42392 
1 1 1 -25 15 3  o 63.59063 4.392197 204.7738       27.17095 171.0000       42.19449 228.7000       35.51426 56.03482 7.912906 66.60332 5.496427 -10.56850      9.634562 
1 1 1 -25 15 4  f 71.49038 3.145512 254.4993       21.95739 232.4212       35.78680 267.8287       27.80658 67.14243 5.493251 73.00674 3.905365 -5.864319      6.740006 
1 1 1 -25 15 5  o 33.06829 4.775939 56.45175       15.01148 38.44358       27.34721 64.21796       17.95903 26.60077 8.916201 35.07066 5.404981 -8.469894      10.42653 
1 1 1 -25 15 6  o 38.89995 4.220929 76.96988       15.81447 61.98315       28.70627 83.50028       18.94931 33.02125 8.744395 40.27688 4.907736 -7.255630      10.02748 
1 1 1 -25 15 7  o 51.61082 3.618562 133.7357       18.16445 69.38721       30.71820 168.3339       22.52444 34.81717 8.961164 57.77230 4.008012 -22.95512      9.816649 
1 1 1 -25 15 8  o 47.36468 3.822186 113.1105       17.56999 122.9547       30.72096 108.3253       21.41877 48.00975 6.721205 45.94619 4.834919 2.063564       8.279555 
1 1 1 -25 15 9  o 11.34324 5.253118 -10.31287      13.82503 -36.68228      25.21653 1.019609       16.53094 13.14911 6.366837 14.81449 6.357285 -1.665376      8.997314 
1 1 1 -25 15 10 o 29.46687 6.346101 46.91040       17.76261 46.14000       52.13241 47.01158       18.89309 29.94302 11.89931 29.35793 6.720103 0.5850925      13.66578 
1 1 1 -25 15 11 o 71.99126 3.812793 260.7612       26.77181 176.3000       60.42791 281.3881       29.86249 53.13759 11.91295 74.63222 4.103629 -21.49463      12.59992 
1 1 1 -25 15 12 o 41.31775 5.108671 88.54798       20.22131 40.62000       52.76174 96.80004       21.89302 29.05633 11.82140 43.13611 5.296131 -14.07978      12.95355 
1 1 1 -25 15 13 o 21.46770 7.265604 23.91414       18.15798 -10.59000      52.22046 28.65973       19.36646 22.89159 10.45668 23.09625 7.492744 -0.2046604     12.86403 
1 1 1 -25 15 14 o 44.70044 4.959052 103.3322       21.33321 24.08000       53.88763 118.0613       23.23117 26.83618 11.49632 47.76769 5.044673 -20.93151      12.55445 
1 1 1 -25 15 15 o 12.54786 5.857626 -14.22934      17.73333 54.60000       50.52549 -23.89932      18.93811 30.66365 11.85249 11.84679 5.680433 18.81686       13.14339 
1 1 1 -25 15 16 o 15.81981 6.742665 3.037360       18.36792 -22.41000      49.04799 7.188276       19.80942 20.90057 9.751863 17.19771 7.145273 3.702854       12.08941 
1 1 1 -25 15 17 o 33.98521 6.575182 63.32167       21.08186 27.68000       49.92524 71.05610       23.25707 26.31573 11.16249 35.88274 6.871748 -9.567015      13.10809 
1 1 1 -25 15 18 o 13.27967 6.171109 -13.35613      19.33049 66.01000       47.58006 -29.04583      21.15508 31.96106 11.67925 12.15938 5.873997 19.80168       13.07320 
1 1 1 -25 15 19 o 31.65865 7.291124 56.95725       22.12754 19.53000       50.23579 65.96677       24.64734 24.97156 10.89733 33.93681 7.608225 -8.965248      13.29048 
1 1 1 -25 15 20 o 29.00441 9.585743 51.80576       31.63186 41.47000       50.33871 58.55000       40.66283 27.61211 11.42387 30.20874 10.83012 -2.596630      15.74154 
1 1 1 -25 15 21 o 29.34225 7.806476 50.65027       22.81122 60.15000       47.70651 47.83453       25.97278 30.11599 11.54925 28.13401 8.619386 1.981979       14.41107 
1 1 1 -25 15 22 o 13.50306 6.376723 -18.84669      22.09252 8.327000       45.67260 -27.14688      25.24209 22.51107 10.07678 13.72803 6.575982 8.783035       12.03267 
1 1 1 -25 15 23 o 46.13366 4.753889 111.7277       21.16009 84.73339       29.66733 139.6803       30.18927 37.63148 8.279422 50.46218 6.245117 -12.83071      10.37065 
1 1 1 -25 15 24 o 47.34246 5.545464 120.7100       25.21130 122.0769       29.49218 117.0000       48.58792 46.74007 6.632316 40.42499 11.64632 6.315083       13.40240 
1 1 1 -25 15 25 o 18.33818 7.545460 12.17533       21.80000 0.7065443      24.83161 50.73000       45.52863 16.99141 7.528567 27.81458 11.09819 -10.82318      13.41079 
1 1 1 -25 15 26 o 33.76549 6.498046 64.49821       20.69699 50.37729       26.75530 85.53931       32.65973 28.31083 8.761694 36.71805 9.126616 -8.407223      12.65158 
1 1 1 -25 15 27 o 20.89552 7.568291 23.96191       19.91817 15.91726       26.43163 34.53365       30.30007 19.95349 8.268711 24.20220 9.223190 -4.248703      12.38704 
1 1 1 -25 15 28 o 24.86896 8.674185 38.06543       25.93912 16.58000       32.74508 74.26000       42.50067 21.04960 8.988123 31.85632 11.10375 -10.80673      14.28564 
1 1 1 -25 15 29 o 29.38943 8.103349 53.65167       24.06223 17.66120       28.36184 146.1000       45.45589 20.43802 8.525262 46.51288 10.26002 -26.07486      13.33972 
1 1 1 -25 15 30 o 25.84468 8.300776 41.92737       23.80681 40.93567       28.16310 44.41000       44.56020 25.32443 9.020536 26.08172 10.76536 -0.7572823     14.04503 
1 1 1 -25 15 31 o 18.83479 7.833518 14.17324       23.84441 9.245711       28.48499 25.71000       43.58567 18.85156 8.216570 23.22213 10.14186 -4.370571      13.05256 
1 1 1 -25 15 32 o 40.67279 6.819135 96.28258       26.18809 82.46909       31.66183 126.2000       46.59576 35.30394 9.103602 40.97451 11.26805 -5.670567      14.48601 
1 1 1 -25 15 33 o 47.37360 5.962134 126.3270       27.03583 105.8567       32.40601 173.2000       49.03711 40.84444 8.386660 49.53902 10.44246 -8.694580      13.39332 
1 1 1 -25 15 34 o 16.46759 7.128712 6.218608       21.14109 3.685986       28.74659 9.201958       31.19990 17.79191 7.977075 19.03051 8.435129 -1.238605      11.60970 
1 1 1 -25 15 35 f 31.67209 7.306219 61.73803       22.18903 41.09311       30.21128 85.91821       32.69583 24.55409 9.243167 35.19439 9.338037 -10.64030      13.13907 
1 1 1 -25 15 36 o 20.77043 8.225644 24.49634       24.83040 45.48984       29.55824 -25.84000      45.76957 25.57596 9.225547 18.06367 8.704762 7.512291       12.68399 
1 1 1 -25 15 37 o 22.28810 8.584453 31.17409       26.43629 98.40000       53.57111 9.532908       30.39504 32.21646 12.26703 18.79581 8.328642 13.42065       14.82722 
1 1 1 -25 15 38 o 13.96195 6.488486 -9.276977      21.37400 -21.06089      31.13612 1.225074       29.39386 15.40268 7.357907 17.43478 7.917806 -2.032102      10.80881 
1 1 1 -25 15 39 o 16.04421 7.290318 -1.341491      24.96206 -15.09861      30.92525 24.38000       42.28610 15.87990 7.512746 22.01155 9.784684 -6.131644      12.33618 
1 1 1 -25 15 40 o 18.83290 7.983747 15.33501       25.51406 32.40000       39.27599 2.876171       33.55930 22.83459 9.799019 18.34806 8.381764 4.486536       12.89476 
1 1 1 -25 15 41 o 16.57080 7.624506 -2.988976      28.45122 2.274000       37.59884 -10.04000      43.51959 18.84639 8.705001 18.60572 8.834410 0.2406654      12.40257 
1 1 1 -25 15 42 o 21.79930 8.444057 30.43621       25.68501 78.65000       41.04392 -0.5991082     32.92997 30.37740 10.88191 17.69644 8.164131 12.68096       13.60401 
1 1 1 -25 15 43 o 22.34542 8.155841 32.97258       23.19225 13.30081       32.52657 53.31699       33.07797 19.26722 8.572166 26.28864 9.715760 -7.021420      12.95678 
1 1 1 -25 15 44 o 14.76775 6.810916 -4.888849      22.89319 10.30614       32.65922 -19.56771      32.09975 18.72354 8.439548 15.44226 7.402048 3.281283       11.22570 
1 1 1 -25 15 45 o 36.15067 7.388147 83.88553       25.25944 79.48203       36.17385 88.07578       35.28713 30.73044 10.25385 33.08099 10.02929 -2.350550      14.34322 
1 1 1 -25 15 46 o 19.19002 7.949290 21.22544       24.41603 -1.730690      34.58348 44.03875       34.47573 17.33288 8.120193 23.53014 9.562201 -6.197256      12.54485 
1 1 1 -25 16 1  o 31.29290 8.087962 55.04000       24.95217 0.000000       0.000000 55.04000       24.95217 ?        ?        31.29290 8.087962 ?              ?        
1 1 1 -25 16 2  o 19.03165 8.316783 0.5603000      29.34892 0.5603000      29.34892 0.000000       0.000000 19.03165 8.316783 ?        ?        ?              ?        
1 1 1 -25 16 3  o 24.81545 8.552234 32.63634       25.18072 32.63634       25.18072 0.000000       0.000000 24.81545 8.552234 ?        ?        ?              ?        
1 1 1 -25 16 4  o 55.63979 4.229413 156.8964       22.86156 138.1915       31.87955 176.7000       32.80246 51.00813 6.535011 58.19535 5.837262 -7.187229      8.762420 
1 1 1 -25 16 5  o 26.29264 7.046875 37.97198       18.50309 29.83166       27.67745 44.55000       24.88014 24.35131 8.906242 28.14300 8.396827 -3.791683      12.24042 
1 1 1 -25 16 6  o 20.29531 6.470293 21.54460       14.48497 -10.47944      26.66089 34.95630       17.25355 16.56878 7.530889 25.28380 6.817196 -8.715017      10.15817 
1 1 1 -25 16 7  o 30.75002 5.232927 49.62821       15.18693 19.28261       26.54353 64.39664       18.51731 21.72134 8.534757 34.96598 5.599223 -13.24464      10.20751 
1 1 1 -25 16 8  f 49.58767 3.740685 123.9513       18.02257 97.76032       30.31680 138.2660       22.41295 42.11155 7.635997 52.08724 4.438274 -9.975697      8.832142 
1 1 1 -25 16 9  o 38.68915 4.450411 76.72536       16.54708 58.97837       28.09601 86.15017       20.47473 32.01681 8.727739 40.67474 5.266137 -8.657925      10.19341 
1 1 1 -25 16 10 o 31.78418 5.353076 53.19172       16.06291 59.53147       28.13532 50.12607       19.56486 32.13778 8.722691 30.25391 6.775533 1.883867       11.04505 
1 1 1 -25 16 11 o 20.18864 6.739910 21.03422       15.62858 -1.128865      27.12846 32.04375       19.12028 18.01706 7.930873 24.17343 7.393439 -6.156364      10.84259 
1 1 1 -25 16 12 o 14.07400 6.084532 0.1302214      15.36097 -12.15595      27.86774 5.492337       18.41033 16.65500 7.619565 16.43402 6.862885 0.2209816      10.25461 
1 1 1 -25 16 13 o 32.46707 6.509597 57.45924       19.96648 29.94000       53.15465 61.98002       21.54417 27.28164 11.54258 33.61487 6.781933 -6.333237      13.38752 
1 1 1 -25 16 14 o 37.40617 5.783380 74.51179       20.49295 93.23000       53.39069 71.27764       22.19284 37.17021 12.45821 36.19908 6.502362 0.9711304      14.05303 
1 1 1 -25 16 15 o 22.27550 7.466369 26.71605       19.17664 66.43000       51.58624 20.34797       20.65697 32.25901 12.09205 20.60333 7.666043 11.65568       14.31732 
1 1 1 -25 16 16 o 20.46912 7.533236 20.55161       19.85051 34.33000       50.02635 17.97677       21.62590 27.06699 11.30880 20.11053 7.759369 6.956459       13.71484 
1 1 1 -25 16 17 o 20.27977 7.623762 19.66724       20.53730 -55.22000      48.89397 35.71019       22.63047 18.17728 8.816639 25.01566 8.098329 -6.838381      11.97147 
1 1 1 -25 16 18 o 37.79746 6.262584 78.01709       22.35918 30.95000       49.58398 90.03074       25.05072 26.21119 11.12146 40.47058 6.547208 -14.25940      12.90554 
1 1 1 -25 16 19 o 29.40275 7.574848 50.23381       21.93472 70.98000       49.67493 45.20899       24.44717 32.09038 11.89780 27.56486 8.345980 4.525526       14.53317 
1 1 1 -25 16 20 o 14.10150 6.507105 -10.99078      20.93631 -13.06000      47.87362 -10.50145      23.28058 20.79012 9.678267 15.00017 6.900061 5.789953       11.88611 
1 1 1 -25 16 21 o 49.74593 5.388059 132.0677       25.81757 130.2000       51.84831 132.6835       29.77088 42.70752 11.94041 49.11118 6.340895 -6.403664      13.51963 
1 1 1 -25 16 22 o 46.44938 4.831854 113.6158       21.64778 98.52959       30.60077 128.7294       30.62841 40.92542 7.925322 48.00188 6.701060 -7.076458      10.37858 
1 1 1 -25 16 23 o 20.06005 7.759995 19.51646       21.67047 11.09190       24.91514 45.69000       43.91579 18.86456 7.937680 27.09958 10.87038 -8.235022      13.46001 
1 1 1 -25 16 24 o 22.11746 8.015941 27.42009       22.34871 36.93508       25.90157 -0.3026000     44.21193 24.75725 8.665655 21.00230 9.604224 3.754950       12.93579 
1 1 1 -25 16 25 o 56.36466 5.284565 170.1606       28.81561 153.3000       52.87141 177.2851       34.36864 46.19379 11.68631 56.53005 6.319197 -10.33627      13.28541 
1 1 1 -25 16 26 o 49.66555 4.740329 130.3159       22.76541 84.12404       30.82724 185.7245       33.76296 36.69038 8.713997 58.11039 6.023052 -21.42001      10.59296 
1 1 1 -25 16 27 o 53.46911 5.111796 152.9618       26.42830 87.56000       39.32838 206.8130       35.68692 35.29206 10.56348 61.24653 6.030959 -25.95447      12.16387 
1 1 1 -25 16 28 o 60.73450 4.372499 193.1428       25.81992 166.0529       34.57376 227.3034       38.82455 54.04173 6.677910 63.75864 6.303408 -9.716915      9.182998 
1 1 1 -25 16 29 o 33.21441 7.685604 66.95948       24.49100 48.68050       29.09499 111.4000       45.36613 27.18339 9.197036 38.65169 11.28856 -11.46830      14.56080 
1 1 1 -25 16 30 o 15.54226 7.004372 -2.455186      22.48474 7.844107       26.49001 -29.00000      42.52734 18.20923 7.930302 17.65578 8.477979 0.5534439      11.60887 
1 1 1 -25 16 31 o 27.51566 8.339361 48.57846       24.39998 15.10478       29.10185 127.8000       44.77035 19.86712 8.478008 41.98190 10.82516 -22.11478      13.74994 
1 1 1 -25 16 32 o 27.33389 8.318652 48.49245       24.24467 72.37869       28.88423 -8.468000      44.60397 33.11460 8.772548 19.47267 9.154027 13.64193       12.67887 
1 1 1 -25 16 33 o 18.96389 7.828493 16.42691       23.56815 -10.28183      27.72038 86.09000       44.76863 15.75580 7.344687 32.14896 11.38095 -16.39317      13.54513 
1 1 1 -25 16 34 o 14.80115 6.694370 -2.527642      20.75440 12.10863       27.62177 -21.50468      31.45216 18.78153 8.139359 15.50897 7.404967 3.272563       11.00376 
1 1 1 -25 16 35 o 14.61538 6.805804 -10.01902      23.70110 -16.12196      27.67671 6.765000       45.89791 15.03864 7.112499 20.69001 9.578112 -5.651368      11.93012 
1 1 1 -25 16 36 f 17.64142 7.781442 6.781909       26.24131 23.59000       52.62685 1.220027       30.27325 22.89857 10.47404 17.67703 8.030790 5.221544       13.19845 
1 1 1 -25 16 37 o 21.13245 7.919527 27.16429       22.12487 27.38892       32.30384 26.96582       30.36469 21.74883 9.087214 21.54235 8.888696 0.2064743      12.71166 
1 1 1 -25 16 38 o 19.87733 8.118651 21.01500       25.00324 34.47047       32.17776 0.5106000      39.72189 22.93797 9.268342 19.08487 8.861073 3.853102       12.82267 
1 1 1 -25 16 39 o 21.24063 8.011864 27.77149       22.72372 -0.6443306     31.76985 57.53687       32.51552 17.59521 8.081581 27.72009 9.708735 -10.12489      12.63216 
1 1 1 -25 16 40 o 43.03156 6.197424 107.5226       25.35215 83.25050       36.04262 131.2914       35.66703 32.93679 10.16519 44.81745 8.440007 -11.88066      13.21229 
1 1 1 -25 16 41 o 31.45899 8.336836 66.60439       26.08054 73.25000       41.80153 62.36861       33.37269 29.16124 10.89437 28.42540 9.843289 0.7358360      14.68256 
1 1 1 -25 16 42 o 16.02214 7.336636 -2.217776      25.91386 -39.89941      31.55606 75.82000       45.41196 13.85610 6.798428 28.97154 11.22632 -15.11544      13.12436 
1 1 1 -25 16 43 o 31.84865 7.816476 66.66810       24.18282 84.54502       34.25984 48.91619       34.13983 33.13366 9.845369 25.06429 9.727875 8.069376       13.84062 
1 1 1 -25 16 44 o 15.24943 6.977472 -1.715373      23.37939 -36.26251      33.25558 32.04478       32.87461 14.31693 7.015163 21.75572 9.133790 -7.438791      11.51688 
1 1 1 -25 16 45 o 21.21400 8.188025 30.67208       24.08744 33.66687       34.04113 27.66895       34.08849 21.75797 9.222733 20.84093 9.036919 0.9170322      12.91219 
1 1 1 -25 17 1  o 23.77339 6.309440 30.66858       14.92411 43.43504       27.30374 25.22931       17.82204 27.73049 8.887869 21.87698 7.193593 5.853510       11.43425 
1 1 1 -25 17 2  o 21.38458 7.182497 23.75638       17.74537 42.58634       26.43765 8.317000       23.93939 27.48944 8.738748 18.78129 7.833181 8.708151       11.73561 
1 1 1 -25 17 3  o 16.57642 6.945581 5.126483       18.95193 -3.072000      32.07970 9.522000       23.48922 19.17488 8.523145 18.89705 7.809537 0.2778339      11.55997 
1 1 1 -25 17 4  o 24.82539 8.928307 32.18365       27.66003 32.18365       27.66003 0.000000       0.000000 24.82539 8.928307 ?        ?        ?              ?        
1 1 1 -25 17 5  o 17.72534 6.999332 11.27960       17.93074 -0.3072713     26.24661 21.42000       24.55375 17.89786 7.842044 21.77456 8.301561 -3.876703      11.41988 
1 1 1 -25 17 6  o 30.58987 6.537227 50.91822       18.98001 50.39517       27.26525 51.41000       26.43746 29.61423 8.778882 29.94985 8.579075 -0.3356190     12.27474 
1 1 1 -25 17 7  o 48.77451 4.623901 121.9485       21.81173 89.40467       29.87471 159.1000       31.91960 39.98605 7.913128 54.94263 6.034495 -14.95657      9.951519 
1 1 1 -25 17 8  o 14.50832 6.043674 3.882985       14.22548 -10.80201      26.39747 9.892991       16.88740 16.36723 7.460348 17.02917 6.770836 -0.6619396     10.07477 
1 1 1 -25 17 9  o 29.19787 5.751301 45.63514       15.85199 52.49713       27.95131 42.38164       19.24652 30.07653 8.881672 27.62471 7.084483 2.451820       11.36107 
1 1 1 -25 17 10 o 35.02709 5.176795 64.32098       17.21488 57.00533       30.18125 67.84874       20.95851 31.09107 9.241344 35.47857 6.264114 -4.387499      11.16430 
1 1 1 -25 17 11 o 46.98443 4.141954 112.5695       18.85387 74.52703       31.47210 133.8647       23.54675 35.54972 9.028781 50.93888 4.778324 -15.38916      10.21525 
1 1 1 -25 17 12 o 28.31404 6.257643 43.84822       16.88059 14.18915       27.85739 61.05822       21.22032 20.68306 8.521923 33.29283 6.743154 -12.60977      10.86707 
1 1 1 -25 17 13 f 42.55267 4.622474 93.62996       18.94442 50.33635       30.89157 119.7263       23.98378 29.07549 9.465413 47.84760 5.204732 -18.77211      10.80200 
1 1 1 -25 17 14 o 26.58334 6.682671 39.40187       17.36718 61.09373       28.66445 26.82057       21.83021 32.01695 8.850846 22.47326 7.948102 9.543686       11.89579 
1 1 1 -25 17 15 o 16.71514 6.690385 9.716031       16.59812 20.39499       27.38566 3.515463       20.86770 21.64212 8.616618 16.64062 7.141825 5.001493       11.19159 
1 1 1 -25 17 16 o 17.37019 6.901528 11.33899       17.53365 16.01480       28.51225 8.495430       22.23488 20.90939 8.618983 17.99372 7.530168 2.915665       11.44510 
1 1 1 -25 17 17 o 47.30729 5.232090 118.2476       23.82314 46.19000       51.86892 137.5123       26.81930 28.26809 11.63585 50.87969 5.470997 -22.61160      12.85787 
1 1 1 -25 17 18 o 37.42269 6.380065 77.40878       22.53297 50.48000       48.90196 84.66733       25.38883 28.51632 11.45976 38.78180 6.943156 -10.26548      13.39901 
1 1 1 -25 17 19 o 28.45018 7.787990 47.92191       22.31717 35.86000       49.07297 51.06704       25.05840 26.26078 11.09964 29.04372 8.362628 -2.782934      13.89732 
1 1 1 -25 17 20 o 11.53599 5.648341 -35.60743      21.43816 -4.601000      46.30800 -44.06546      24.18604 21.18819 9.741080 11.87315 5.850295 9.315039       11.36286 
1 1 1 -25 17 21 o 38.35234 5.762402 80.14501       20.96404 71.68930       29.98316 88.23254       29.32312 33.90354 8.917351 38.53891 8.034021 -4.635372      12.00269 
1 1 1 -25 17 22 o 16.37197 7.209456 1.016511       22.43730 12.76280       25.94856 -33.79000      44.66767 19.37222 8.122766 18.21522 8.731348 1.157003       11.92542 
1 1 1 -25 17 23 o 20.57599 7.922628 21.41719       22.51236 13.38327       26.04689 45.14000       44.75848 19.45844 8.147124 26.84132 10.89991 -7.382875      13.60822 
1 1 1 -25 17 24 o 38.14776 5.744099 79.84021       20.78375 47.92269       28.41239 116.5768       30.48194 27.41305 9.085790 44.97817 7.163708 -17.56512      11.57023 
1 1 1 -25 17 25 o 28.10069 7.796333 47.94372       22.19665 23.64000       32.87959 68.29503       30.08751 22.26410 9.223906 32.54593 9.094613 -10.28183      12.95347 
1 1 1 -25 17 26 o 34.42229 7.120883 69.31487       23.20071 37.20000       34.67537 95.34459       31.21784 24.77718 9.748997 39.36756 8.359915 -14.59038      12.84255 
1 1 1 -25 17 27 o 20.76604 7.617844 23.97674       20.27242 -14.37112      27.09846 72.71526       30.54993 15.41550 7.210919 33.35551 9.104290 -17.94001      11.61402 
1 1 1 -25 17 28 o 42.94018 5.506182 100.9899       22.61113 71.91499       30.26599 137.7145       34.01534 33.10442 9.072503 48.27831 7.436472 -15.17389      11.73079 
1 1 1 -25 17 29 o 17.30951 7.475257 7.092203       23.13609 -6.443966      27.40908 40.64000       43.14978 16.34857 7.508066 25.19173 10.51239 -8.843159      12.91826 
1 1 1 -25 17 30 f 13.53850 6.411343 -17.60543      22.62777 -36.73120      26.80896 29.77000       42.19365 13.08027 6.385556 23.52798 10.12732 -10.44770      11.97238 
1 1 1 -25 17 31 o 61.09561 4.934498 201.1763       29.25845 176.9620       35.14039 255.9000       52.82729 55.33574 6.618892 63.24266 8.769461 -7.906925      10.98695 
1 1 1 -25 17 32 f 19.72374 7.934552 20.10139       23.46939 5.700107       27.67082 57.02000       44.30413 17.83746 7.922978 27.01056 10.88911 -9.173103      13.46649 
1 1 1 -25 17 33 o 23.37926 8.358235 35.31267       24.20133 48.44083       28.31918 -0.2409000     46.60369 26.42936 9.071009 20.19043 9.448376 6.238928       13.09790 
1 1 1 -25 17 34 o 16.98816 7.457714 6.067319       23.83931 -16.52347      27.85765 67.87000       46.07681 15.03294 7.117495 28.35492 11.21281 -13.32198      13.28103 
1 1 1 -25 17 35 o 13.33189 6.289521 -14.46824      21.39283 -48.20562      29.72681 21.77335       30.81033 12.95613 6.402960 20.77851 8.789330 -7.822376      10.87429 
1 1 1 -25 17 36 o 18.22425 7.501507 15.26648       21.55778 31.78366       31.05543 -0.9498680E-01 29.94925 22.43790 9.091180 17.33771 7.919418 5.100193       12.05681 
1 1 1 -25 17 37 o 23.14354 8.437996 35.29974       24.81492 27.97351       31.36472 47.56000       40.57429 21.71782 9.004264 25.13578 10.31295 -3.417967      13.69064 
1 1 1 -25 17 38 o 16.86078 7.261443 8.565151       21.71478 5.444977       30.41196 11.81042       31.01562 18.09995 8.152514 19.07976 8.435848 -0.9798145     11.73145 
1 1 1 -25 17 39 o 24.63110 8.533932 41.32647       25.08616 -35.66000      38.74511 96.89536       32.91741 15.87260 7.732773 37.47751 9.071678 -21.60491      11.92020 
1 1 1 -25 17 40 o 19.98878 8.100500 22.49310       24.66159 26.93000       38.49248 19.40372       32.11967 21.78031 9.521129 20.17917 8.760877 1.601143       12.93850 
1 1 1 -25 17 41 o 21.36072 8.089577 28.87745       23.22047 12.39009       33.13586 44.78636       32.54939 19.28819 8.612177 24.65118 9.517269 -5.362989      12.83542 
1 1 1 -25 17 42 f 18.38619 7.883556 14.61902       25.38277 -57.33000      40.77254 60.14992       32.43459 14.78953 7.342329 27.73865 9.697975 -12.94912      12.16390 
1 1 1 -25 17 43 f 16.87832 7.652573 3.608063       27.32078 -9.231947      34.88052 23.99000       43.94637 16.85486 7.975404 21.26032 9.665435 -4.405453      12.53107 
1 1 1 -25 17 44 o 25.69866 8.442983 47.94605       24.55240 73.02176       36.66113 27.55238       33.06184 28.91338 10.29263 20.82584 8.964450 8.087542       13.64916 
1 1 1 -25 17 45 o 15.45283 7.236400 -5.871086      27.41689 11.99807       34.12453 -38.41000      46.04858 18.61160 8.482927 16.31039 8.043484 2.301207       11.69007 
1 1 1 -25 18 1  o 63.34598 3.428401 201.3462       21.17851 155.4847       35.66479 226.3268       26.32189 53.61555 6.959925 66.85636 4.041110 -13.24081      8.048051 
1 1 1 -25 18 2  o 61.51448 3.465811 190.0107       20.78396 186.1280       36.56000 191.8647       25.26340 59.11514 6.421354 61.43956 4.226604 -2.324425      7.687520 
1 1 1 -25 18 3  o 34.35876 4.862150 61.41166       15.89571 33.90378       28.13143 74.31395       19.26623 25.16956 9.009864 37.61681 5.386000 -12.44724      10.49698 
1 1 1 -25 18 4  o 28.09322 7.402246 44.24060       20.63645 25.33000       32.89738 56.51000       26.49845 23.88823 9.465583 31.30080 8.452284 -7.412567      12.69009 
1 1 1 -25 18 5  o 21.14395 7.419499 22.80086       18.99539 13.17328       27.28168 31.86000       26.46404 20.46333 8.432603 24.47672 8.741401 -4.013386      12.14582 
1 1 1 -25 18 6  o 19.20161 8.097068 8.246490       26.01575 8.246490       26.01575 0.000000       0.000000 19.20161 8.097068 ?        ?        ?              ?        
1 1 1 -25 18 7  o 18.64374 7.091755 15.06356       17.89302 13.80833       26.89739 16.06000       23.96485 20.44858 8.394067 20.26697 8.063328 0.1816139      11.63949 
1 1 1 -25 18 8  o 31.03903 6.752844 53.21340       19.93160 53.54015       29.53076 52.94000       27.01238 30.06817 9.186788 30.08039 8.689110 -0.1221657E-01 12.64507 
1 1 1 -25 18 9  o 55.05964 4.601981 155.9665       24.57523 135.5576       33.92551 178.5000       35.64765 49.62819 7.193249 57.65292 6.425997 -8.024727      9.645532 
1 1 1 -25 18 10 o 23.69230 6.853001 31.14746       16.79209 32.87089       28.54062 30.23502       20.76685 24.71845 9.043491 23.44229 7.767659 1.276157       11.92146 
1 1 1 -25 18 11 o 17.57585 6.739765 13.01992       16.24578 -4.813977      27.26034 22.84214       20.23080 17.28486 7.757483 21.16952 7.632858 -3.884659      10.88297 
1 1 1 -25 18 12 f 16.77512 6.661606 10.18219       16.32759 4.842895       26.98437 13.26606       20.50773 18.66367 8.066590 18.67233 7.449123 -0.8657455E-02 10.97995 
1 1 1 -25 18 13 o 22.70442 6.949918 28.70327       16.89059 6.428359       27.32177 42.48260       21.48894 18.96294 8.155719 27.11721 7.723935 -8.154272      11.23276 
1 1 1 -25 18 14 o 45.34808 4.411633 106.3027       19.33511 74.25227       29.80933 129.5799       25.40393 35.20414 8.701158 49.53154 5.323223 -14.32740      10.20034 
1 1 1 -25 18 15 o 18.08360 6.922315 14.53363       17.11759 1.702672       27.40847 22.73862       21.91766 18.10995 7.971733 21.16729 7.892480 -3.057333      11.21783 
1 1 1 -25 18 16 o 39.75832 5.033614 83.62149       19.15073 60.16037       29.75992 100.2034       25.01924 31.10091 9.159364 42.83519 6.142709 -11.73429      11.02845 
1 1 1 -25 18 17 o 12.58801 5.827539 -10.50879      16.99172 2.026947       25.80929 -20.09884      22.57417 17.60999 7.744239 13.52624 6.405007 4.083750       10.04974 
1 1 1 -25 18 18 o 19.41557 7.215071 18.85870       18.28722 15.31650       27.46856 21.67849       24.50799 20.27147 8.417442 21.08863 8.225960 -0.8171654     11.76944 
1 1 1 -25 18 19 o 17.43421 7.020629 11.49990       18.39432 -8.686968      26.17412 31.19876       25.85581 16.08686 7.368936 23.44007 8.602443 -7.353207      11.32710 
1 1 1 -25 18 20 o 32.26981 6.562256 58.95880       20.02115 47.83520       27.35599 71.78990       29.38068 27.66975 8.899096 33.96395 8.775403 -6.294205      12.49806 
1 1 1 -25 18 21 o 24.59143 8.180575 36.29816       23.02782 21.36419       26.61038 80.83000       45.95139 21.13543 8.467300 33.08170 11.54475 -11.94627      14.31700 
1 1 1 -25 18 22 o 18.24463 7.588156 11.35843       22.37447 18.76057       25.84134 -10.81000      44.72021 20.44456 8.289517 20.00191 9.325630 0.4426479      12.47732 
1 1 1 -25 18 23 o 24.77697 7.763983 36.95435       20.93814 21.26680       29.11285 53.76350       30.13561 21.34754 8.744623 28.68340 9.349647 -7.335861      12.80173 
1 1 1 -25 18 24 o 16.23613 7.118255 2.239623       21.65452 -52.33000      32.53727 45.62828       29.01307 13.80496 6.798957 26.67322 9.180494 -12.86826      11.42398 
1 1 1 -25 18 25 o 55.91873 4.953799 166.6568       26.83429 153.0000       42.06780 176.0258       34.84366 49.24767 9.060631 55.91702 6.486293 -6.669350      11.14303 
1 1 1 -25 18 26 o 19.26003 7.485172 18.46296       20.23383 5.469584       27.43103 33.96956       29.96674 18.12610 7.977068 23.72737 9.139466 -5.601265      12.13109 
1 1 1 -25 18 27 o 39.57753 5.826053 87.10437       21.89527 75.47923       30.06368 100.2355       31.95166 34.07053 8.913922 40.05713 8.416989 -5.986603      12.25984 
1 1 1 -25 18 28 o 31.02810 7.183900 57.76178       21.38761 25.04441       29.29307 95.11547       31.29986 21.68086 8.812909 38.75507 8.486642 -17.07421      12.23481 
1 1 1 -25 18 29 o 30.57542 7.338179 56.71040       21.68180 54.63896       29.13418 59.28179       32.46015 28.40853 9.187949 29.08327 9.713443 -0.6747341     13.37047 
1 1 1 -25 18 30 o 28.51341 8.249210 52.64548       24.32914 45.91417       28.87989 69.10000       45.15316 26.01278 9.146845 29.25653 11.23179 -3.243744      14.48509 
1 1 1 -25 18 31 o 26.18069 8.278075 45.03518       23.75150 33.78223       27.82507 75.25000       45.59459 23.01513 8.821766 29.90690 11.33348 -6.891764      14.36215 
1 1 1 -25 18 32 o 19.48456 7.910162 19.24458       23.56438 8.589481       27.53312 48.42000       45.56016 18.18731 7.998383 25.52306 10.73628 -7.335751      13.38812 
1 1 1 -25 18 33 o 22.27944 8.436576 31.32322       25.25360 -1.221793      29.83814 113.5000       47.41373 17.23411 7.884441 36.49990 11.71356 -19.26579      14.11991 
1 1 1 -25 18 34 o 17.22012 7.622447 5.402248       25.39392 8.252770       30.64883 -0.8394000     45.35252 18.65885 8.310066 19.89568 9.313759 -1.236835      12.48212 
1 1 1 -25 18 35 o 16.21336 7.363453 -0.8994696     25.42567 0.6579380      30.84205 -4.203000      44.91912 17.59621 8.037150 19.40539 9.142209 -1.809181      12.17275 
1 1 1 -25 18 36 o 23.11422 9.271671 35.54583       31.94803 35.54583       31.94803 0.000000       0.000000 23.11422 9.271671 ?        ?        ?              ?        
1 1 1 -25 18 37 o 21.91016 7.950892 30.45492       21.99671 25.76224       31.31849 35.02354       30.90178 21.27841 8.923008 22.95785 9.148921 -1.679440      12.77978 
1 1 1 -25 18 38 o 17.08166 7.464133 7.697484       23.63611 -13.46000      38.21368 20.80718       30.08038 17.46111 8.287285 20.29896 8.639430 -2.837852      11.97159 
1 1 1 -25 18 39 o 17.80513 7.678802 11.49490       24.34802 53.08000       38.29095 -16.73223      31.54718 25.84749 10.22153 15.72907 7.483698 10.11843       12.66828 
1 1 1 -25 18 40 o 14.83955 6.795429 -3.787583      22.23507 -8.113069      31.54777 0.4820737      31.34351 16.55558 7.755903 17.47456 8.026537 -0.9189835     11.16151 
1 1 1 -25 18 41 o 19.48724 7.788578 21.71616       22.46093 29.00516       32.12133 14.74224       31.41942 21.51752 9.030828 19.23773 8.498829 2.279785       12.40105 
1 1 1 -25 18 42 o 14.07971 6.593631 -9.623057      22.76623 5.980095       32.91792 -23.92926      31.52016 18.14977 8.295018 14.89135 7.187912 3.258423       10.97604 
1 1 1 -25 18 43 o 20.14267 8.264720 25.23628       26.05962 -2.720000      42.48507 42.09888       32.99582 18.39462 8.732612 23.33811 9.401230 -4.943495      12.83128 
1 1 1 -25 18 44 o 22.41742 8.726694 36.77407       27.53830 23.55820       34.16385 61.29000       46.53106 20.21333 8.898751 25.17627 10.73122 -4.962938      13.94083 
1 1 1 -25 19 1  o 22.67124 6.533550 28.24296       15.28924 -13.65550      28.48502 45.19869       18.12073 16.53468 7.615551 28.58523 6.608470 -12.05055      10.08308 
1 1 1 -25 19 2  o 28.32383 5.933022 43.52145       15.92108 32.33346       29.19511 48.25691       18.99393 24.67757 9.126391 29.50049 6.727421 -4.822927      11.33795 
1 1 1 -25 19 3  o 29.74549 5.796243 47.71038       16.26937 26.30336       29.41724 57.14345       19.52766 23.36513 9.040510 32.32710 6.397870 -8.961971      11.07536 
1 1 1 -25 19 4  o 31.17233 5.387194 51.69799       15.84324 57.41051       28.42042 49.12236       19.08355 31.11541 8.889250 29.76641 6.710644 1.349003       11.13784 
1 1 1 -25 19 5  o 26.87513 6.205261 39.62768       15.99365 39.20309       29.00153 39.81324       19.17266 26.25887 9.171083 26.57848 7.194956 -0.3196106     11.65659 
1 1 1 -25 19 6  o 33.16056 6.944349 61.22692       21.81668 97.91000       36.53661 40.90000       27.19764 40.32963 9.425694 26.61515 8.891308 13.71448       12.95759 
1 1 1 -25 19 7  o 36.30034 8.859117 78.26573       31.19668 78.26573       31.19668 0.000000       0.000000 36.30034 8.859117 ?        ?        ?              ?        
1 1 1 -25 19 8  o 19.15946 7.475309 15.47814       20.24322 15.58270       28.38984 15.37000       28.87272 20.91354 8.608499 20.97094 8.661679 -0.5739594E-01 12.21192 
1 1 1 -25 19 9  o 17.44977 7.199072 8.763221       19.91444 -17.76774      27.96504 36.06000       28.36577 15.78678 7.365076 25.29430 9.048145 -9.507517      11.66676 
1 1 1 -25 19 10 o 16.62753 7.066786 4.839184       20.07656 19.60434       27.96274 -10.87000      28.84280 21.52725 8.660591 16.84985 7.724796 4.677408       11.60510 
1 1 1 -25 19 11 o 28.11728 7.526590 45.64684       21.12411 21.54218       29.10980 72.46000       30.70173 22.05712 8.849356 34.54753 8.992937 -12.49041      12.61681 
1 1 1 -25 19 12 o 64.88119 3.983567 215.0135       25.17667 228.1000       46.27804 209.5120       30.00562 63.52913 7.592235 63.39336 4.872991 0.1357689      9.021534 
1 1 1 -25 19 13 o 22.09311 7.080586 27.29176       17.32888 30.94880       27.95111 25.00854       22.08557 23.78270 8.903734 21.74454 7.955358 2.038160       11.94003 
1 1 1 -25 19 14 o 38.79723 5.109847 79.95139       18.93376 80.80405       30.24302 79.40177       24.28090 36.54979 8.598197 37.54636 6.859480 -0.9965668     10.99916 
1 1 1 -25 19 15 o 23.07964 7.124804 30.45509       17.70513 23.92683       27.61319 35.01266       23.07196 22.04006 8.691252 24.44823 8.189584 -2.408178      11.94182 
1 1 1 -25 19 16 o 18.14898 6.977978 14.96879       17.44613 -0.2479595     26.16430 27.15039       23.40994 17.30654 7.694722 22.27729 8.183830 -4.970751      11.23316 
1 1 1 -25 19 17 f 16.28055 6.767271 7.418623       17.78037 5.657592       26.05924 8.952571       24.32112 18.19129 7.894560 18.35125 7.787852 -0.1599522     11.08940 
1 1 1 -25 19 18 f 16.20061 6.841951 6.059053       18.62119 -15.47790      26.57562 26.83124       26.09951 15.33240 7.161890 22.35453 8.550015 -7.022125      11.15327 
1 1 1 -25 19 19 o 18.81270 7.659624 14.05184       22.17106 8.072533       26.29684 28.75000       41.22966 18.56484 7.993083 24.15537 10.19004 -5.590527      12.95092 
1 1 1 -25 19 20 o 38.51682 6.811747 84.59429       24.74189 61.65283       29.17155 143.4000       46.70449 31.04162 9.048256 46.14581 10.56794 -15.10419      13.91231 
1 1 1 -25 19 21 o 45.49190 5.204560 111.1130       22.75859 74.44528       30.98735 154.0562       33.53436 34.04728 9.116816 52.20645 6.717889 -18.15917      11.32459 
1 1 1 -25 19 22 o 31.91765 6.904632 59.13042       20.94325 67.25810       29.33741 50.68393       29.90726 32.38722 8.954499 27.89640 9.323785 4.490820       12.92734 
1 1 1 -25 19 23 o 30.66708 7.686721 56.87950       23.02644 51.62000       35.56207 60.67649       30.21583 27.66435 10.09896 30.36352 9.295754 -2.699169      13.72589 
1 1 1 -25 19 24 o 14.01031 6.501187 -11.04690      21.33431 -0.2748000     31.51390 -20.16065      28.98682 18.27693 8.259413 15.34676 7.264368 2.930174       10.99950 
1 1 1 -25 19 25 o 33.87432 6.702738 66.53766       21.43717 36.76382       29.09888 101.8757       31.70152 24.26691 9.084769 40.57297 8.263494 -16.30606      12.28081 
1 1 1 -25 19 26 o 30.96881 7.210839 57.42224       21.44862 41.50481       29.17054 76.15627       31.64634 25.28244 9.158701 33.75252 9.287839 -8.470081      13.04399 
1 1 1 -25 19 27 o 21.14146 7.704219 25.88044       20.68303 -1.112517      29.30925 52.65703       29.19154 17.46823 7.922471 27.91018 9.207905 -10.44194      12.14706 
1 1 1 -25 19 28 o 16.79898 7.093042 8.727401       20.00560 6.072730       27.79417 11.58124       28.81797 18.10130 7.995284 19.15911 8.308315 -1.057812      11.53051 
1 1 1 -25 19 29 o 21.09101 7.686242 26.29711       20.58700 15.16974       27.74172 39.93607       30.71339 19.45060 8.288187 24.49574 9.297487 -5.045139      12.45541 
1 1 1 -25 19 30 o 17.75916 7.296823 13.59237       20.34932 30.97268       27.49214 -7.468807      30.26363 22.35566 8.714617 16.65626 7.733822 5.699398       11.65146 
1 1 1 -25 19 31 o 13.87913 6.514836 -12.79868      22.44655 -24.41133      26.04027 20.78000       44.28039 13.74328 6.608265 21.93948 9.863384 -8.196201      11.87247 
1 1 1 -25 19 32 o 15.61958 7.511709 -25.53924      33.67958 -20.85000      51.43040 -29.06000      44.56430 19.14590 9.226560 17.53628 8.484592 1.609617       12.53466 
1 1 1 -25 19 33 o 30.91545 8.532293 64.03583       26.66272 51.10382       32.00806 93.35000       48.19092 26.51681 9.595488 32.35752 11.76463 -5.840712      15.18156 
1 1 1 -25 19 34 o 16.36152 7.398250 0.4125275      25.32948 21.82534       30.49592 -47.22000      45.48379 20.58126 8.726845 16.49079 8.105350 4.090473       11.91027 
1 1 1 -25 19 35 o 33.82788 9.408065 81.81844       32.27986 81.81844       32.27986 0.000000       0.000000 33.82788 9.408065 ?        ?        ?              ?        
1 1 1 -25 19 36 o 16.51516 7.419445 2.257890       25.00541 36.77166       29.64617 -82.83000      46.54857 23.28087 9.056863 14.90413 7.467623 8.376744       11.73849 
1 1 1 -25 19 37 o 15.43428 7.247709 -11.42241      27.82865 0.3204000      35.45692 -30.26000      44.90840 18.28870 8.449538 17.34432 8.421249 0.9443779      11.92947 
1 1 1 -25 19 38 o 15.82432 7.014025 3.529865       21.57282 -0.7503543     30.69563 7.707323       30.32491 17.23257 7.925548 18.24197 8.184881 -1.009401      11.39327 
1 1 1 -25 19 39 o 19.81647 7.800687 22.90557       22.20962 -1.670258      31.62145 46.83229       31.20106 17.25086 7.973378 25.09129 9.404351 -7.840429      12.32950 
1 1 1 -25 19 40 o 17.29145 7.404010 11.20798       22.33228 -10.71125      31.88639 32.31137       31.28736 16.28990 7.683075 22.09637 9.059917 -5.806473      11.87905 
1 1 1 -25 19 41 o 20.17467 7.943431 25.07888       23.03432 -9.446221      33.24249 56.96552       31.94702 16.56173 7.821432 26.88391 9.603986 -10.32219      12.38593 
1 1 1 -25 19 42 o 16.13715 7.188568 5.270893       22.94757 -3.322094      33.57523 12.80368       31.43583 17.06907 7.997998 18.63310 8.348991 -1.564035      11.56173 
1 1 1 -25 19 43 o 13.44212 6.381095 -13.43334      22.67832 -6.381167      33.04394 -19.71276      31.18104 16.52743 7.803055 14.94915 7.199068 1.578278       10.61670 
1 1 1 -25 20 1  o 24.90365 6.426953 34.52659       15.77178 45.92106       29.21390 29.83939       18.73697 27.73222 9.213758 23.11092 7.357920 4.621296       11.79120 
1 1 1 -25 20 2  o 27.48547 6.237594 41.73234       16.39552 11.24753       28.76844 56.39692       19.95306 20.13437 8.503798 31.86258 6.614390 -11.72821      10.77334 
1 1 1 -25 20 3  o 43.17382 5.558337 99.18299       22.94498 92.68510       31.95379 106.1000       32.96819 39.72000 8.477048 42.83021 8.161809 -3.110210      11.76756 
1 1 1 -25 20 4  o 51.22412 3.952020 133.9503       19.66216 61.30046       32.87746 174.4016       24.53282 31.39198 9.712067 58.24971 4.333816 -26.85774      10.63514 
1 1 1 -25 20 5  o 40.60629 4.418236 85.36736       17.27814 62.33227       30.83270 95.91260       20.86145 31.85185 9.307371 42.69901 5.091576 -10.84717      10.60902 
1 1 1 -25 20 6  o 39.44069 4.560962 80.91030       17.28380 98.68695       31.81223 73.46532       20.58737 41.18193 8.180343 36.84925 5.907279 4.332680       10.09029 
1 1 1 -25 20 7  o 28.26415 7.298188 45.84079       20.33013 26.33091       29.76582 62.90000       27.83364 23.09512 9.048881 32.35661 8.629842 -9.261496      12.50426 
1 1 1 -25 20 8  o 24.23643 7.804879 33.62482       21.03771 17.77919       30.15009 48.66000       29.36892 21.45674 8.855680 28.25884 9.231174 -6.802105      12.79209 
1 1 1 -25 20 9  o 42.10484 8.302964 104.2830       33.00278 104.2830       33.00278 0.000000       0.000000 42.10484 8.302964 ?        ?        ?              ?        
1 1 1 -25 20 10 o 24.76072 7.820396 35.63070       21.20311 60.30130       29.75507 10.18000       30.22184 31.15059 9.154514 20.05438 8.600616 11.09622       12.56088 
1 1 1 -25 20 11 o 21.14980 7.718213 23.63965       20.76890 12.07627       28.32765 37.08000       30.54031 19.92109 8.427261 25.22378 9.333211 -5.302689      12.57488 
1 1 1 -25 20 12 o 14.72359 6.606093 -3.960838      19.75323 -12.84217      26.88137 6.464000       29.12374 15.81840 7.325395 19.11621 8.320380 -3.297806      11.08558 
1 1 1 -25 20 13 o 14.48639 6.573576 -6.328040      20.21094 -14.68548      27.32744 3.763000       30.02826 15.71137 7.313394 18.87984 8.326000 -3.168465      11.08188 
1 1 1 -25 20 14 o 11.79933 5.689209 -25.16462      19.61643 -11.17012      25.62096 -44.99000      30.49491 15.60694 7.200571 13.85945 6.775496 1.747490       9.887141 
1 1 1 -25 20 15 o 23.52605 7.284214 32.10437       18.49021 45.26325       27.63751 21.44215       24.87788 26.99774 8.961471 21.00399 8.259686 5.993746       12.18730 
1 1 1 -25 20 16 o 17.01737 6.905192 10.46735       17.94698 -13.80054      26.20085 31.91834       24.63333 15.40124 7.166342 23.46568 8.427359 -8.064437      11.06241 
1 1 1 -25 20 17 o 13.63498 6.209515 -6.599909      18.23691 -7.312969      26.08035 -5.917650      25.51086 16.15512 7.383412 16.17849 7.358645 -0.2336311E-01 10.42422 
1 1 1 -25 20 18 o 38.08274 6.878683 83.03056       24.69786 81.30228       29.83967 86.79000       44.00964 36.24965 8.549457 34.44983 11.30299 1.799820       14.17218 
1 1 1 -25 20 19 o 20.02055 7.900856 19.22499       22.83469 24.84679       27.22039 5.872000       41.95134 21.85132 8.625372 21.14267 9.544314 0.7086468      12.86433 
1 1 1 -25 20 20 o 10.78705 5.282270 -31.09980      18.76620 -32.49109      25.63716 -29.49384      27.54415 13.19343 6.395751 14.07279 6.774290 -0.8793564     9.316472 
1 1 1 -25 20 21 o 22.33876 7.702317 29.14872       20.42537 -14.55289      28.36986 76.18073       29.43102 15.81413 7.391105 34.73922 8.680469 -18.92509      11.40083 
1 1 1 -25 20 22 o 15.62320 6.990031 -1.574219      21.94769 -31.07000      33.07133 21.64126       29.34003 15.46961 7.440609 21.30764 8.759003 -5.838029      11.49273 
1 1 1 -25 20 23 o 16.17163 7.005536 4.352958       20.44590 -2.716217      27.84236 12.62696       30.12171 17.03148 7.723310 19.77786 8.535285 -2.746378      11.51089 
1 1 1 -25 20 24 o 19.20369 7.492901 18.37538       20.33935 -6.567616      27.53783 48.31548       30.17047 16.40746 7.531631 26.89205 9.356523 -10.48459      12.01124 
1 1 1 -25 20 25 o 27.76035 7.488070 47.25593       20.81120 14.55651       27.73447 89.39380       31.48373 19.54669 8.306620 37.19507 8.788095 -17.64837      12.09258 
1 1 1 -25 20 26 o 16.52170 7.040913 7.266108       20.02426 -15.67185      27.27936 34.06578       29.48638 15.17856 7.142696 23.46266 9.058405 -8.284096      11.53572 
1 1 1 -25 20 27 o 12.04767 5.766935 -19.83468      19.33741 -44.18439      26.72978 6.902449       28.00953 12.44056 6.133768 18.21287 8.036174 -5.772315      10.10956 
1 1 1 -25 20 28 o 13.00447 6.084005 -11.71481      19.30226 -13.64962      26.16055 -9.402839      28.59691 14.96252 7.026480 16.09671 7.488904 -1.134188      10.26913 
1 1 1 -25 20 29 o 20.72123 7.625270 25.50691       20.33768 -1.050862      26.89493 60.97438       31.08063 16.64537 7.564985 29.12154 9.495291 -12.47616      12.14041 
1 1 1 -25 20 30 o 14.71659 6.779747 -6.552054      22.59420 -31.93832      26.18350 67.47000       44.71043 13.10039 6.376513 28.35137 11.09556 -15.25099      12.79732 
1 1 1 -25 20 31 o 20.09564 8.328047 20.87066       26.81426 25.00000       53.72956 19.50110       30.94307 22.90884 10.51761 20.32144 8.708648 2.587400       13.65506 
1 1 1 -25 20 32 o 17.04959 7.578328 4.591445       25.36050 -8.077183      30.82304 31.14000       44.62016 16.62459 7.748061 23.05945 10.16006 -6.434858      12.77729 
1 1 1 -25 20 33 o 23.40931 8.722698 36.84635       26.76265 74.70373       32.76865 -38.99000      46.37907 31.81656 9.668661 17.10316 8.360090 14.71340       12.78179 
1 1 1 -25 20 34 o 19.05046 8.351521 13.05439       29.80326 13.05439       29.80326 0.000000       0.000000 19.05046 8.351521 ?        ?        ?              ?        
1 1 1 -25 20 35 o 15.60098 7.149028 -3.472766      24.66601 -18.12515      29.33922 31.85000       45.55350 15.12260 7.201335 22.89022 10.16660 -7.767628      12.45869 
1 1 1 -25 20 36 f 13.60013 6.595952 -28.90865      27.34925 -39.13000      34.81290 -12.43000      44.20252 14.73217 7.210017 18.47667 8.809901 -3.744503      11.38414 
1 1 1 -25 20 37 o 19.75527 8.146365 21.09451       25.48402 24.52371       30.86520 13.75000       45.17043 20.85287 8.807800 20.78230 9.578458 0.7056046E-01  13.01246 
1 1 1 -25 20 38 o 16.50729 7.426816 2.894354       25.15849 -3.738152      30.29906 17.62000       45.14686 16.73675 7.759865 21.05185 9.656165 -4.315105      12.38778 
1 1 1 -25 20 39 o 17.89000 7.746041 11.92694       24.97142 -7.830411      29.86189 57.87000       45.53684 16.16380 7.563781 25.85379 10.79475 -9.689995      13.18095 
1 1 1 -25 20 40 f 22.35928 8.011555 33.71159       22.24845 64.81492       31.46778 2.622988       31.46034 28.84492 9.561900 17.52240 8.045920 11.32252       12.49667 
1 1 1 -25 20 41 o 15.88815 7.057599 5.048921       21.95988 -23.55777      30.59581 35.44367       31.53751 14.60253 7.056656 22.19748 9.098122 -7.594951      11.51400 
1 1 1 -25 20 42 o 17.84604 7.526690 16.07955       22.48562 23.08111       32.15763 9.381452       31.45301 19.91574 8.704336 17.98205 8.175797 1.933691       11.94191 
1 1 1 -25 21 1  o 67.15147 3.528946 228.5449       23.11424 174.1485       38.77421 258.5317       28.78872 55.57528 7.304451 70.96172 4.162975 -15.38645      8.407459 
1 1 1 -25 21 2  o 34.22509 5.350293 62.78661       17.33728 27.97985       31.39003 78.06551       20.79725 23.46760 9.262744 37.97572 5.776752 -14.50812      10.91647 
1 1 1 -25 21 3  o 26.06568 6.548795 38.35217       16.68515 27.15030       30.38815 43.18676       19.96361 23.17470 9.124011 27.31005 7.319781 -4.135351      11.69730 
1 1 1 -25 21 4  o 38.03747 4.845932 76.23148       17.63334 37.20198       30.53531 95.75878       21.59866 25.31373 9.338529 42.39481 5.321807 -17.08109      10.74848 
1 1 1 -25 21 5  o 22.83524 6.687782 29.45010       15.90354 2.917964       28.61373 41.30994       19.13057 18.51200 8.147046 26.75313 7.163177 -8.241131      10.84829 
1 1 1 -25 21 6  o 31.92525 5.395501 54.98173       16.26039 39.62478       29.07873 61.96827       19.61345 25.76445 9.167188 33.45790 6.217745 -7.693459      11.07690 
1 1 1 -25 21 7  o 20.04459 6.778772 21.77689       15.80603 23.40593       28.14502 21.02643       19.10292 22.00764 8.744023 20.17738 7.396002 1.830259       11.45246 
1 1 1 -25 21 8  o 19.26537 6.863569 19.31217       16.30553 15.57290       28.64436 21.10464       19.83228 20.54405 8.568410 20.28074 7.517985 0.2633133      11.39902 
1 1 1 -25 21 9  o 16.29108 7.173781 0.5500525      22.21540 24.81000       34.56762 -16.52000      28.99626 23.05113 9.494821 15.99822 7.475542 7.052905       12.08451 
1 1 1 -25 21 10 o 33.74306 7.029393 65.29660       22.46243 41.81309       29.54196 97.48000       34.58389 26.13725 9.245814 39.57582 9.115662 -13.43857      12.98385 
1 1 1 -25 21 11 o 32.59037 9.137456 67.06300       30.31783 67.06300       30.31783 0.000000       0.000000 32.59037 9.137456 ?        ?        ?              ?        
1 1 1 -25 21 12 o 22.89388 7.858682 30.15854       21.25559 15.30681       27.99333 50.38000       32.66423 20.26792 8.463160 27.99678 9.735851 -7.728859      12.90007 
1 1 1 -25 21 13 o 16.22193 7.050690 2.852511       20.85177 -20.83986      27.26079 36.26000       32.37100 14.93893 7.063400 24.84135 9.516809 -9.902426      11.85164 
1 1 1 -25 21 14 o 17.07523 7.208331 7.634791       20.65491 -5.899705      26.38424 29.06000       33.19603 16.43886 7.479598 23.42182 9.431552 -6.982960      12.03738 
1 1 1 -25 21 15 o 56.52951 4.822340 168.8236       26.42874 125.2692       32.69756 250.9000       44.88575 46.39072 7.453127 66.42340 7.009256 -20.03268      10.23126 
1 1 1 -25 21 16 o 37.45132 6.821693 80.25928       24.08619 78.91280       29.89595 82.75000       40.66082 35.54905 8.670442 34.11208 10.83664 1.436970       13.87838 
1 1 1 -25 21 17 f 51.68140 6.860485 152.0582       33.84885 152.0582       33.84885 0.000000       0.000000 51.68140 6.860485 ?        ?        ?              ?        
1 1 1 -25 21 18 o 37.17260 7.261409 81.01180       25.47308 89.56479       30.76666 62.37000       45.42189 37.99493 8.487133 29.26540 11.25745 8.729528       14.09828 
1 1 1 -25 21 19 o 20.66129 7.537503 23.53542       19.80540 27.94869       27.55079 18.81578       28.49101 22.43270 8.729793 20.70855 8.583485 1.724150       12.24277 
1 1 1 -25 21 20 o 16.94096 7.246457 6.814183       21.35176 17.65000       32.98878 -0.9978378     28.01026 21.11934 9.019804 17.36820 7.823360 3.751139       11.93993 
1 1 1 -25 21 21 o 16.66184 7.202555 5.332406       21.52018 50.50000       32.10751 -31.50959      28.99777 27.38267 9.643121 14.25550 6.884277 13.12717       11.84834 
1 1 1 -25 21 22 o 42.90910 5.622220 101.5273       23.04618 83.36461       32.06771 120.9288       33.14333 35.56475 9.157085 44.65933 7.869290 -9.094582      12.07385 
1 1 1 -25 21 23 o 26.77158 7.715490 44.41349       21.32098 57.25479       28.96125 29.21851       31.50381 29.23095 9.126899 22.69797 9.170981 6.532980       12.93859 
1 1 1 -25 21 24 o 18.89261 7.478597 17.46047       20.51644 16.10785       27.96522 19.03705       30.19180 19.79278 8.373091 20.62189 8.710763 -0.8291054     12.08247 
1 1 1 -25 21 25 o 24.67758 7.743288 37.98112       20.81961 27.24526       28.68312 49.93576       30.26748 21.95201 8.792094 26.99695 9.372800 -5.044939      12.85108 
1 1 1 -25 21 26 o 14.36679 6.532079 -4.355367      20.07742 -8.122949      27.39909 0.1370133E-01  29.50525 15.97705 7.397724 17.50339 7.942575 -1.526340      10.85407 
1 1 1 -25 21 27 o 45.21284 5.154655 112.1560       22.40522 57.19723       30.35814 177.9032       33.20434 28.37816 9.391236 55.78233 6.185055 -27.40417      11.24501 
1 1 1 -25 21 28 o 20.41495 7.621187 24.44855       20.44902 49.98072       27.91018 -5.141570      30.04638 26.80964 9.007735 16.83145 7.776955 9.978186       11.90043 
1 1 1 -25 21 29 o 27.93677 8.362654 52.29754       24.64709 33.99887       28.95808 100.4000       46.95087 22.86064 8.934565 33.84092 11.67731 -10.98028      14.70327 
1 1 1 -25 21 30 o 17.35971 7.243048 12.15230       20.47970 6.687267       28.42889 18.04794       29.52769 17.95278 7.999034 19.88696 8.514470 -1.934179      11.68250 
1 1 1 -25 21 31 o 14.82758 6.678179 -1.256420      20.40339 2.638222       28.73800 -5.215000      28.97293 17.45644 7.888076 16.51101 7.631679 0.9454346      10.97562 
1 1 1 -25 21 32 o 14.91199 6.729664 -1.178061      20.83883 -20.38100      28.40101 21.21692       30.67082 14.68075 7.016933 20.42848 8.710129 -5.747727      11.18498 
1 1 1 -25 21 33 o 17.22281 7.821130 1.767458       28.67581 1.767458       28.67581 0.000000       0.000000 17.22281 7.821130 ?        ?        ?              ?        
1 1 1 -25 21 34 o 22.92283 8.502255 35.05473       25.37182 9.355585       30.21823 96.46000       46.71027 18.50716 8.246428 32.59676 11.61645 -14.08960      14.24590 
1 1 1 -25 21 35 o 29.23106 9.244165 62.24671       29.61766 49.97000       37.80714 81.75000       47.65262 25.37715 10.11746 29.69649 11.50193 -4.319342      15.31853 
1 1 1 -25 21 36 o 23.41227 8.548306 37.51760       25.48138 27.24429       30.48457 61.34000       46.42133 21.26625 8.852087 26.47680 10.96376 -5.210546      14.09126 
1 1 1 -25 21 37 o 24.25858 8.637281 41.34378       25.81826 12.58087       31.06386 105.6000       46.42978 18.91997 8.399762 33.91909 11.61568 -14.99913      14.33458 
1 1 1 -25 21 38 o 26.35346 8.770543 49.80917       26.46842 44.29908       32.48618 60.69000       45.65098 24.34751 9.478228 26.21381 10.86522 -1.866299      14.41839 
1 1 1 -25 21 39 o 14.78361 6.925135 -9.068154      25.14141 6.434676       30.84256 -39.77000      43.40374 17.87091 8.113782 16.14286 7.931046 1.728046       11.34614 
1 1 1 -25 21 40 o 23.28716 8.658854 39.50525       26.34553 16.28463       31.87394 89.58000       46.80673 19.15498 8.506089 29.74809 11.43173 -10.59310      14.24914 
1 1 1 -25 21 41 o 14.40266 6.817719 -11.49953      25.53622 -8.066428      31.40401 -18.20000      43.87274 16.03356 7.581030 17.22442 8.353808 -1.190855      11.28088 
1 1 1 -25 21 42 o 24.40151 8.806800 46.41557       26.94039 28.84780       32.84124 82.56000       47.10663 20.61994 8.905538 27.55353 11.18473 -6.933590      14.29709 
1 1 1 -25 22 1  o 21.76292 7.010877 26.76480       16.97401 31.23842       31.38854 24.91588       20.17905 23.86449 9.309155 21.35276 7.632308 2.511726       12.03796 
1 1 1 -25 22 2  f 56.58441 3.827699 164.0282       21.07548 135.9812       35.44096 179.3725       26.21413 48.34885 7.750578 58.60759 4.606571 -10.25874      9.016206 
1 1 1 -25 22 3  o 41.78373 4.727992 91.92414       18.99769 48.86470       31.73100 115.9830       23.71849 27.75382 9.598755 46.58657 5.295249 -18.83275      10.96247 
1 1 1 -25 22 4  o 42.43216 4.630468 94.51601       18.92034 51.47242       31.53300 118.7302       23.65081 28.38673 9.574685 47.20296 5.205153 -18.81623      10.89808 
1 1 1 -25 22 5  o 16.66461 6.632786 10.73028       16.22215 -23.68203      28.59247 27.06571       19.69972 15.09297 7.164830 21.94341 7.564333 -6.850446      10.41892 
1 1 1 -25 22 6  o 25.61403 6.679835 37.58092       16.91839 31.69017       28.73969 40.70489       20.92906 23.73336 8.997103 26.19861 7.671809 -2.465244      11.82390 
1 1 1 -25 22 7  o 18.32870 6.804302 16.52998       16.25656 2.297391       27.44453 24.22302       20.17729 17.97191 7.941182 21.12022 7.621747 -3.148308      11.00697 
1 1 1 -25 22 8  o 28.33117 6.397474 45.46207       17.31996 17.81131       28.03946 62.52129       22.02397 20.72182 8.545005 32.91642 7.048133 -12.19460      11.07670 
1 1 1 -25 22 9  o 50.93075 4.120830 134.2060       20.36803 81.00528       31.84153 171.0503       26.49843 35.83891 9.070415 57.00764 4.793115 -21.16873      10.25897 
1 1 1 -25 22 10 f 30.58456 6.197256 52.49447       17.91638 41.82750       29.14075 58.97715       22.71733 25.95658 9.182731 31.60331 7.463731 -5.646729      11.83342 
1 1 1 -25 22 11 o 27.41788 8.296255 46.28791       24.16205 62.13000       35.36548 32.42000       33.08865 30.31572 10.13909 24.00714 9.499285 6.308577       13.89379 
1 1 1 -25 22 12 o 31.36477 9.119239 63.37337       29.66467 63.37337       29.66467 0.000000       0.000000 31.36477 9.119239 ?        ?        ?              ?        
1 1 1 -25 22 13 o 33.14421 7.361338 64.78247       23.26054 57.80615       29.01918 77.32000       38.90256 29.93213 9.099257 33.15965 10.60709 -3.227514      13.97522 
1 1 1 -25 22 14 o 34.69428 7.077841 70.04086       23.22106 46.51501       29.32389 109.6000       38.02529 26.91171 9.230716 40.98657 9.640704 -14.07486      13.34726 
1 1 1 -25 22 15 o 14.46214 6.877151 -22.24819      26.56759 -22.24819      26.56759 0.000000       0.000000 14.46214 6.877151 ?        ?        ?              ?        
1 1 1 -25 22 16 o 38.88823 8.372554 93.27579       30.92631 93.27579       30.92631 0.000000       0.000000 38.88823 8.372554 ?        ?        ?              ?        
1 1 1 -25 22 17 o 35.42013 7.290814 74.04199       24.43440 55.23767       30.09699 110.4000       41.84988 28.88836 9.338150 39.73677 10.57454 -10.84842      14.10751 
1 1 1 -25 22 18 o 22.42366 8.093052 29.50480       22.75064 23.51854       28.27350 40.50000       38.31804 21.50135 8.687874 25.34248 10.15794 -3.841127      13.36648 
1 1 1 -25 22 19 o 16.58827 7.409013 0.1677496      24.54462 25.32000       33.33613 -29.61000      36.27210 22.31520 9.270123 16.33014 7.838362 5.985060       12.13982 
1 1 1 -25 22 20 o 19.91886 8.117032 18.59464       24.92396 27.36000       32.95049 6.873000       38.10408 22.51679 9.271918 20.22987 9.117465 2.286917       13.00372 
1 1 1 -25 22 21 o 17.44289 7.271921 10.77044       20.61904 30.87932       28.40137 -11.63936      29.98225 22.82650 8.869002 16.39327 7.640718 6.433229       11.70640 
1 1 1 -25 22 22 o 17.31151 7.266642 10.22530       20.80195 -4.884758      28.44106 27.60679       30.50396 16.74374 7.674161 22.19782 9.004187 -5.454077      11.83081 
1 1 1 -25 22 23 o 18.77350 7.512073 16.78560       20.91928 -7.617054      28.41834 45.64881       30.90670 16.37969 7.566483 25.93247 9.422572 -9.552782      12.08456 
1 1 1 -25 22 24 o 16.14542 7.001668 5.180583       20.46775 -15.58031      27.74140 29.98357       30.32197 15.23327 7.179082 22.48259 9.027701 -7.249314      11.53424 
1 1 1 -25 22 25 o 25.02008 7.733811 39.71553       20.85332 5.726680       28.53172 78.69366       30.55415 18.01970 8.022127 34.08357 9.019468 -16.06387      12.07085 
1 1 1 -25 22 26 o 17.23762 7.209905 11.40591       20.36742 15.25261       27.55794 6.775338       30.23568 19.23972 8.231194 18.38000 8.215273 0.8597260      11.62941 
1 1 1 -25 22 27 o 36.73544 7.357908 82.97908       25.53419 71.80766       30.37358 109.9000       47.15055 32.00094 9.204690 35.81789 11.69626 -3.816956      14.88384 
1 1 1 -25 22 28 o 17.98312 7.858306 9.753508       26.20033 -19.67000      54.21124 18.72082       29.92769 19.47976 9.408572 20.01335 8.570340 -0.5335922     12.72682 
1 1 1 -25 22 29 o 18.55900 7.469771 17.31065       20.81171 -13.42756      28.71975 51.30009       30.20045 15.50913 7.307700 26.63352 9.354549 -11.12438      11.87055 
1 1 1 -25 22 30 o 14.55736 6.619400 -3.220410      20.62435 31.36690       29.54422 -36.09704      28.80433 22.25587 8.919922 13.48365 6.590332 8.772214       11.09042 
1 1 1 -25 22 31 o 17.62874 7.321215 13.55136       20.78435 -4.107768      28.82972 32.66269       29.99171 16.50601 7.623492 22.40484 8.984622 -5.898836      11.78308 
1 1 1 -25 22 32 o 21.27741 8.141686 28.29016       23.67312 41.38512       29.57128 4.922000       39.50302 24.18687 9.135987 19.33915 8.929086 4.847717       12.77477 
1 1 1 -25 22 33 o 11.70026 5.670834 -24.33615      20.13027 -49.25171      28.06092 2.081456       28.89437 12.29933 6.103503 17.25630 7.842051 -4.956964      9.937329 
1 1 1 -25 22 34 o 27.15708 8.304412 50.27570       24.12379 52.91000       37.22681 48.36863       31.67425 25.89391 10.12721 25.48270 9.490561 0.4112053      13.87916 
1 1 1 -25 22 35 o 26.40616 8.583235 48.97869       25.40693 46.69921       30.27256 54.41000       46.72871 25.12426 9.292968 25.39163 10.78602 -0.2673683     14.23718 
1 1 1 -25 22 36 o 19.87422 8.135909 22.45819       25.18065 21.66326       30.22923 24.26000       45.51095 20.17019 8.624886 21.66160 9.843207 -1.491409      13.08730 
1 1 1 -25 22 37 o 13.66357 6.523730 -18.05492      24.40912 -8.155464      29.64154 -38.91000      43.02304 16.04485 7.517056 16.24798 7.965035 -0.2031269     10.95207 
1 1 1 -25 22 38 o 17.31709 7.592093 9.928599       24.63284 10.86744       29.78555 7.897000       43.81570 18.27507 8.162138 19.64337 9.182280 -1.368307      12.28555 
1 1 1 -25 22 39 o 20.31771 8.223393 26.27246       25.37896 43.17080       30.84575 -9.138000      44.65183 23.67805 9.230639 18.15888 8.711059 5.519171       12.69201 
1 1 1 -25 22 40 o 14.32263 6.760458 -10.40455      24.77574 -5.986406      30.27659 -19.36000      43.10532 16.01632 7.533165 17.02217 8.261489 -1.005850      11.18038 
1 1 1 -25 22 41 o 23.22101 8.589950 40.97486       25.86682 26.03223       31.36307 72.76000       45.74221 20.12502 8.697331 26.30185 10.88655 -6.176828      13.93415 
1 1 1 -25 23 1  o 30.04739 6.502237 51.35893       18.56770 8.454927       32.05425 73.02470       22.77843 19.83392 8.678947 35.80634 6.746585 -15.97242      10.99275 
1 1 1 -25 23 2  o 16.91930 6.809640 10.86903       17.29536 -7.295767      30.22591 19.71172       21.08902 17.29258 7.920320 19.94270 7.670866 -2.650120      11.02604 
1 1 1 -25 23 3  o 25.05390 7.010964 36.63916       17.86673 42.66815       30.44980 33.47359       22.06421 26.10897 9.370483 23.78057 8.009117 2.328400       12.32688 
1 1 1 -25 23 4  o 32.53381 7.463776 62.52040       23.26250 24.29301       31.44999 108.7000       34.56672 22.32310 9.109984 42.02169 8.690894 -19.69859      12.59061 
1 1 1 -25 23 5  o 55.86237 4.015462 161.1428       21.80992 83.93706       34.43101 212.8806       28.18571 35.81931 9.618360 63.78703 4.544057 -27.96772      10.63773 
1 1 1 -25 23 6  o 46.82437 4.507171 115.0119       20.40280 61.11131       32.03672 151.7899       26.46338 30.43396 9.612951 53.33270 5.132578 -22.89874      10.89735 
1 1 1 -25 23 7  o 32.99709 5.921362 60.44762       18.42237 25.80597       29.24312 83.24200       23.72129 22.29890 8.895467 38.36734 6.551435 -16.06844      11.04765 
1 1 1 -25 23 8  o 29.28476 6.358049 48.78934       17.70157 47.18445       28.87675 49.75546       22.40479 27.13045 9.162537 28.64374 7.787839 -1.513296      12.02508 
1 1 1 -25 23 9  o 17.32273 6.775729 13.16716       16.66584 17.15637       27.33601 10.80722       21.02525 20.30592 8.411345 17.76717 7.369789 2.538750       11.18322 
1 1 1 -25 23 10 o 12.02525 5.607049 -11.19696      16.17151 -25.61734      26.45841 -2.597351      20.43218 14.10979 6.751789 15.03152 6.733424 -0.9217300     9.535494 
1 1 1 -25 23 11 o 19.32327 7.060978 19.72183       17.39087 -11.87898      27.26040 41.40940       22.58336 15.82732 7.345884 25.97498 8.051479 -10.14766      10.89901 
1 1 1 -25 23 12 o 35.09996 5.943803 68.61403       19.69296 39.18930       29.55651 92.10496       26.40870 25.04584 9.196536 39.88298 7.021088 -14.83714      11.57030 
1 1 1 -25 23 13 o 20.23908 8.142118 19.39412       24.71418 41.62000       33.35975 -7.644000      36.79438 25.55716 9.692213 18.58400 8.593545 6.973160       12.95330 
1 1 1 -25 23 14 o 21.19112 8.630649 21.81355       28.15902 21.81355       28.15902 0.000000       0.000000 21.19112 8.630649 ?        ?        ?              ?        
1 1 1 -25 23 15 o 34.40432 9.010483 76.68261       30.69792 76.68261       30.69792 0.000000       0.000000 34.40432 9.010483 ?        ?        ?              ?        
1 1 1 -25 23 16 o 29.09707 8.163927 53.09111       24.19247 51.45081       30.46767 55.89000       39.79884 27.74680 9.411304 28.04832 10.59783 -0.3015156     14.17345 
1 1 1 -25 23 17 o 22.66826 8.217070 30.72960       23.48569 29.11823       29.73906 33.40000       38.28395 22.63582 8.989969 23.98031 9.945656 -1.344490      13.40655 
1 1 1 -25 23 18 o 14.68204 6.857898 -12.84927      24.36452 -21.60000      32.65479 -1.860000      36.59396 16.05884 7.632989 18.93343 8.687829 -2.874598      11.56464 
1 1 1 -25 23 19 o 19.33079 7.830519 17.43443       23.03390 34.79353       28.75503 -13.65000      38.47882 23.65930 8.992406 18.07654 8.499146 5.582767       12.37331 
1 1 1 -25 23 20 o 20.81887 8.020743 24.18612       23.08279 24.86325       28.80081 22.97000       38.59713 21.49922 8.738742 22.17069 9.614740 -0.6714706     12.99265 
1 1 1 -25 23 21 o 22.33734 8.213231 30.29448       23.58698 36.27514       29.17539 19.01000       40.07587 23.83860 9.058519 21.75106 9.604286 2.087538       13.20224 
1 1 1 -25 23 22 o 28.77673 8.272274 53.68362       24.53874 57.61049       30.30041 46.20000       41.82936 28.75998 9.375215 25.61811 10.48655 3.141865       14.06635 
1 1 1 -25 23 23 o 38.04486 7.219618 87.40270       25.90218 98.29156       32.02637 66.81000       44.04263 38.79240 8.654502 28.69470 11.07279 10.09769       14.05372 
1 1 1 -25 23 24 o 31.75650 7.211847 61.89911       21.90437 68.33177       29.10435 53.49530       33.26601 31.49658 8.994740 26.97978 9.779545 4.516800       13.28702 
1 1 1 -25 23 25 o 20.63756 7.703005 25.36695       20.88871 10.64871       27.99064 43.86717       31.38148 18.51456 8.105689 24.94215 9.413640 -6.427582      12.42251 
1 1 1 -25 23 26 o 19.68141 7.955338 20.73078       23.71608 1.417360       27.96499 70.20000       44.75615 17.10356 7.749744 28.58440 11.12581 -11.48083      13.55884 
1 1 1 -25 23 27 o 24.75936 8.005749 40.38620       22.12005 19.48970       30.43190 63.79391       32.20859 20.16667 8.639247 29.24418 9.673044 -9.077509      12.96936 
1 1 1 -25 23 28 o 12.67582 6.037343 -17.36246      20.64137 -14.36240      28.84372 -20.51161      29.55175 15.42963 7.286427 15.00274 7.167238 0.4268904      10.22063 
1 1 1 -25 23 29 o 34.18073 6.898857 71.03007       22.28500 46.34262       31.01498 97.37887       32.04158 25.23473 9.392620 37.86940 8.810496 -12.63467      12.87813 
1 1 1 -25 23 30 o 26.26703 8.398893 47.16685       24.39289 15.66720       29.42332 116.4000       43.62103 19.33071 8.388854 37.75391 11.08121 -18.42320      13.89842 
1 1 1 -25 23 31 o 16.13511 7.172533 3.707620       22.72272 3.632588       28.56137 3.837000       37.50521 17.37512 7.856369 18.89325 8.715046 -1.518131      11.73348 
1 1 1 -25 23 32 o 22.63856 7.806614 33.35888       20.98249 16.66637       29.37637 50.74480       29.98031 19.41947 8.404899 26.21494 9.310190 -6.795469      12.54280 
1 1 1 -25 23 33 o 19.20277 7.721953 20.14130       22.21924 -15.39000      34.50139 45.32121       29.04412 16.45722 7.829042 25.00471 9.126886 -8.547487      12.02472 
1 1 1 -25 23 34 o 14.90406 6.677493 0.8027417      20.10367 21.30790       28.11872 -20.63893      28.75367 19.92999 8.411821 14.60972 7.003686 5.320270       10.94579 
1 1 1 -25 23 35 o 20.78552 7.773530 27.34605       21.29406 20.32488       29.97375 34.50053       30.25694 19.88659 8.547527 22.42159 9.012881 -2.535004      12.42144 
1 1 1 -25 23 36 o 21.01355 7.794194 28.32193       21.32202 14.41395       29.83314 42.84456       30.48522 18.91594 8.322043 24.05868 9.230778 -5.142735      12.42834 
1 1 1 -25 23 37 o 21.02291 8.332313 28.98629       25.49765 20.80192       30.96290 46.23000       44.94323 19.83104 8.605758 23.75511 10.33777 -3.924076      13.45097 
1 1 1 -25 23 38 o 15.80578 7.202887 1.005256       24.59011 -25.96038      29.93977 56.90000       43.10509 14.21172 6.894607 24.98005 10.47131 -10.76834      12.53730 
1 1 1 -25 23 39 o 14.62696 6.843471 -6.866736      24.42793 17.38334       29.87786 -55.76000      42.42458 18.83304 8.305254 14.79689 7.369673 4.036148       11.10357 
1 1 1 -25 23 40 o 15.82319 7.211383 2.614081       24.65428 5.012322       29.86430 -2.518000      43.68705 17.04447 7.831140 18.11473 8.670282 -1.070257      11.68334 
1 1 1 -25 24 1  o 28.12145 6.910432 46.24541       18.88358 53.47554       32.82707 42.66969       23.08558 28.31038 9.764418 26.31345 8.137847 1.996929       12.71096 
1 1 1 -25 24 2  o 37.36745 5.451934 76.08332       19.35394 30.52467       32.23024 101.7756       24.20355 23.40323 9.337837 42.93362 5.916512 -19.53039      11.05443 
1 1 1 -25 24 3  o 31.51000 6.267602 56.18392       18.65054 -2.683373      31.00835 89.55103       23.34538 17.94134 8.141727 40.05868 6.150079 -22.11734      10.20349 
1 1 1 -25 24 4  o 32.10157 6.304658 58.36898       19.10322 -7.510634      31.12599 98.18002       24.19633 17.37038 7.986000 42.03995 6.054383 -24.66956      10.02156 
1 1 1 -25 24 5  o 42.54586 4.926948 96.66521       20.13950 85.43993       32.62882 103.5737       25.59728 36.39526 9.165698 43.01223 6.263753 -6.616970      11.10156 
1 1 1 -25 24 6  o 48.80319 4.543121 125.4345       21.45318 45.81190       33.54301 180.5492       27.90728 26.49059 9.784995 58.24921 4.941228 -31.75862      10.96184 
1 1 1 -25 24 7  o 19.41773 7.195416 19.82829       18.16389 30.34506       29.77234 13.59291       22.92466 23.10463 9.050680 18.70498 7.721175 4.399651       11.89670 
1 1 1 -25 24 8  o 19.79787 7.263731 21.09691       18.43256 -6.808731      28.75437 40.56334       24.01601 16.80039 7.706144 25.51230 8.348480 -8.711910      11.36142 
1 1 1 -25 24 9  o 40.11925 5.169864 86.93884       19.83053 85.81526       31.42351 87.68246       25.56393 36.70402 8.850252 38.89090 6.971514 -2.186882      11.26628 
1 1 1 -25 24 10 o 35.02334 5.708149 67.85446       18.89524 84.48809       30.07222 57.00372       24.28856 36.71090 8.531624 30.34262 8.047342 6.368284       11.72810 
1 1 1 -25 24 11 o 15.74447 6.681305 5.765284       17.89941 24.70110       28.28995 -6.875708      23.11430 21.74120 8.723422 15.16622 6.938797 6.574980       11.14652 
1 1 1 -25 24 12 o 16.49786 7.173082 4.293239       21.59740 2.403296       27.90810 7.115000       34.10092 17.78690 7.925256 19.71445 8.773787 -1.927547      11.82324 
1 1 1 -25 24 13 o 28.48889 8.183487 51.07021       24.02324 68.35527       30.28000 21.71000       39.46391 32.13070 9.174214 22.41518 9.721429 9.715515       13.36684 
1 1 1 -25 24 14 o 13.46038 6.316113 -14.09944      21.06700 -7.292000      33.09779 -18.73582      27.31469 17.66864 8.163255 14.93551 7.064351 2.733130       10.79554 
1 1 1 -25 24 15 o 20.76797 8.078091 23.38603       23.58199 11.29019       29.90375 43.28000       38.35025 19.39858 8.437319 25.49387 10.18125 -6.095297      13.22294 
1 1 1 -25 24 16 o 11.34439 5.725159 -82.05000      30.05842 -82.05000      30.05842 0.000000       0.000000 11.34439 5.725159 ?        ?        ?              ?        
1 1 1 -25 24 17 o 17.36979 7.611491 5.601750       24.73197 -24.20000      32.49736 46.62000       38.12552 15.72577 7.513554 25.95776 10.21976 -10.23199      12.68452 
1 1 1 -25 24 18 f 30.88297 8.240085 61.19308       25.36998 74.33242       32.23845 39.82000       41.11697 32.75331 9.501853 24.71366 10.28328 8.039652       14.00111 
1 1 1 -25 24 19 o 31.17315 8.105029 61.88363       24.95792 64.89101       31.41805 56.74000       41.08848 30.46970 9.504990 27.48093 10.67031 2.988764       14.28987 
1 1 1 -25 24 20 o 34.10812 7.765218 72.45324       25.34154 71.91204       31.36906 73.47000       42.99651 32.19483 9.382440 30.23605 11.09381 1.958776       14.52937 
1 1 1 -25 24 21 o 19.72422 7.976402 19.91927       23.85443 -5.410063      29.40657 68.66000       40.79234 16.72970 7.717015 29.37354 10.80096 -12.64384      13.27453 
1 1 1 -25 24 22 o 30.13416 8.188046 59.43094       24.77560 51.65590       30.30536 75.10000       43.02192 26.89720 9.376226 30.02728 11.08338 -3.130083      14.51740 
1 1 1 -25 24 23 o 20.40758 8.060287 23.79508       23.78339 25.50306       28.52516 19.90000       43.07699 21.13406 8.656398 21.59903 9.717852 -0.4649773     13.01422 
1 1 1 -25 24 24 o 21.23299 8.175105 27.48087       23.96904 48.60845       28.53014 -23.21000      44.19202 26.18646 9.099348 17.80930 8.574910 8.377165       12.50309 
1 1 1 -25 24 25 o 27.76347 10.14619 60.52616       35.90990 -5.792000      57.22689 103.6000       46.12015 20.60518 9.878536 34.32705 11.57943 -13.72187      15.22067 
1 1 1 -25 24 26 f 20.55494 7.845115 25.29338       21.94316 -8.041913      29.37358 67.38836       33.00805 16.21066 7.557993 29.90448 9.787488 -13.69382      12.36601 
1 1 1 -25 24 27 o 28.04454 7.863337 51.33863       22.45171 2.857211       30.25245 110.7806       33.49805 17.70486 8.037363 40.78435 8.659076 -23.07949      11.81435 
1 1 1 -25 24 28 o 16.94519 7.208001 10.33256       20.91804 10.18305       28.26570 10.51359       31.10251 18.27440 8.067671 18.77042 8.364817 -0.4960213     11.62142 
1 1 1 -25 24 29 o 15.97111 7.192806 1.161387       23.66534 19.51362       28.92455 -36.00000      41.15931 19.85647 8.462145 16.24016 7.924657 3.616310       11.59345 
1 1 1 -25 24 30 f 24.55385 7.943367 40.19488       21.77495 40.82771       30.13059 39.50303       31.50418 23.91833 9.176929 23.59242 9.289562 0.3259087      13.05802 
1 1 1 -25 24 31 o 19.41016 7.588383 21.61393       20.89452 22.42069       30.01297 20.85516       29.10650 20.37776 8.649709 20.02756 8.510236 0.3502045      12.13431 
1 1 1 -25 24 32 o 14.09076 6.542593 -7.825964      21.65849 -17.09000      33.63102 -1.261063      28.31092 16.09317 7.676507 16.62794 7.634233 -0.5347691     10.82637 
1 1 1 -25 24 33 o 10.88708 5.340584 -29.66921      19.44195 -11.49789      27.60973 -47.54178      27.38183 15.20254 7.163808 12.13444 6.022966 3.068106       9.359288 
1 1 1 -25 24 34 o 14.00921 6.444790 -5.045671      20.31607 -21.78347      28.69795 11.77006       28.76469 14.44460 6.943375 18.37623 8.124421 -3.931632      10.68722 
1 1 1 -25 24 35 o 16.09789 6.997194 7.391778       20.53907 -2.416321      29.39388 16.74971       28.71140 16.54739 7.661974 19.06292 8.279587 -2.515528      11.28084 
1 1 1 -25 24 36 o 20.02836 7.631819 25.31407       20.74482 28.30418       29.66852 22.45373       29.01753 20.93866 8.725623 19.88337 8.474741 1.055290       12.16379 
1 1 1 -25 24 37 f 21.01791 7.764527 29.63197       21.12201 17.19605       29.69846 42.36121       30.04666 18.92965 8.316501 23.42998 9.116998 -4.500332      12.34033 
1 1 1 -25 24 38 f 14.21817 6.541943 -2.953141      20.94460 -3.351051      29.62989 -2.555755      29.61040 16.10694 7.536256 16.19064 7.561788 -0.8370209E-01 10.67594 
1 1 1 -25 24 39 o 16.46842 7.396711 7.107695       24.83620 -20.47117      29.36628 76.39000       46.54487 14.31241 6.915712 26.50386 10.97696 -12.19145      12.97385 
1 1 1 -25 25 1  o 34.59539 6.130207 67.41927       19.99885 35.13531       32.69873 86.71257       25.27789 24.14093 9.476589 38.66096 6.934551 -14.52003      11.74282 
1 1 1 -25 25 2  o 35.29434 5.960347 69.64558       19.85873 46.93588       32.75683 82.84255       24.97084 26.59898 9.695165 37.69054 7.026978 -11.09156      11.97392 
1 1 1 -25 25 3  o 30.67185 6.667542 54.55818       19.44523 35.77159       32.55899 64.97437       24.24383 24.25123 9.475030 32.72414 7.698366 -8.472914      12.20824 
1 1 1 -25 25 4  o 19.85433 7.336092 21.25709       18.85695 52.21500       31.60097 4.138076       23.49925 27.87204 9.581641 16.98663 7.432093 10.88541       12.12616 
1 1 1 -25 25 5  o 14.99830 6.566625 1.464366       18.37258 -9.935955      30.42373 8.008341       23.05020 16.80953 7.787427 17.56304 7.521228 -0.7535057     10.82649 
1 1 1 -25 25 6  o 16.19437 6.860723 6.679938       18.82042 -16.73930      30.85832 20.55101       23.74876 16.17453 7.606836 20.27612 8.039832 -4.101589      11.06810 
1 1 1 -25 25 7  o 17.72198 7.162756 13.01086       19.22414 6.917047       31.16120 16.75525       24.42645 19.11282 8.452801 19.54203 8.008037 -0.4292107     11.64382 
1 1 1 -25 25 8  o 22.89538 7.521636 31.40170       19.48628 -20.69850      30.63210 66.81676       25.25521 15.68734 7.437954 32.92373 7.931354 -17.23639      10.87334 
1 1 1 -25 25 9  o 26.75702 7.465137 43.59041       20.28908 4.612748       32.10178 69.51643       26.18118 18.93441 8.463901 33.43727 8.088310 -14.50286      11.70719 
1 1 1 -25 25 10 o 15.45475 6.695991 3.546357       18.68466 -10.01274      30.04448 12.09782       23.85996 16.62495 7.714641 18.43987 7.763889 -1.814919      10.94503 
1 1 1 -25 25 11 o 34.77208 7.195138 72.03207       23.68131 61.15845       32.18386 84.87000       34.97024 29.68299 9.661241 35.01275 9.812424 -5.329760      13.77038 
1 1 1 -25 25 12 o 30.77879 8.003003 59.48917       24.33251 33.07433       31.53764 98.34000       38.24769 23.37463 9.266038 37.27983 10.19164 -13.90520      13.77421 
1 1 1 -25 25 13 o 15.37253 6.769721 1.621732       19.78621 -45.15485      29.08463 41.92076       26.99583 13.13227 6.459923 25.34936 8.848620 -12.21709      10.95576 
1 1 1 -25 25 14 o 45.21706 5.223491 111.5211       22.69447 56.99600       33.20399 159.3240       31.08988 28.37109 9.818686 53.20091 6.079276 -24.82982      11.54834 
1 1 1 -25 25 15 o 37.49543 6.771712 82.45352       23.93884 123.8000       39.08183 57.62504       30.28522 42.77044 9.574307 28.83288 9.371025 13.93756       13.39714 
1 1 1 -25 25 16 o 48.68022 5.458261 130.7236       25.56097 132.5000       40.98212 129.5925       32.70107 43.96382 9.776266 46.35846 7.459590 -2.394646      12.29719 
1 1 1 -25 25 17 o 17.83942 7.650033 9.902844       23.90660 -26.50351      29.47801 79.86000       40.86256 14.64534 7.039157 31.94266 10.89812 -17.29732      12.97377 
1 1 1 -25 25 18 o 19.40905 8.407685 13.70328       29.44728 13.70328       29.44728 0.000000       0.000000 19.40905 8.407685 ?        ?        ?              ?        
1 1 1 -25 25 19 o 18.48246 7.731362 14.43004       23.42368 19.79626       28.93555 4.228000       39.89703 20.27873 8.544664 19.70483 9.052724 0.5738983      12.44842 
1 1 1 -25 25 20 o 23.31372 8.475166 35.58530       25.00821 -1.311962      30.39536 112.9000       43.99885 17.32840 7.938881 37.49613 11.16119 -20.16774      13.69664 
1 1 1 -25 25 21 o 18.10051 7.691278 12.82677       23.77355 27.27149       28.45663 -20.55000      43.25647 21.43585 8.696161 17.85966 8.569190 3.576185       12.20878 
1 1 1 -25 25 22 o 43.01089 6.495699 108.8152       26.49558 70.05134       31.77903 197.2000       47.98614 30.94750 9.543946 53.43076 9.524590 -22.48326      13.48350 
1 1 1 -25 25 23 o 20.04883 8.113775 22.40199       24.70414 12.31299       29.54276 45.86000       45.04770 18.86421 8.290980 24.64528 10.53335 -5.781071      13.40492 
1 1 1 -25 25 24 o 20.15237 8.224146 22.50362       25.63118 17.79484       31.38121 31.94000       44.42407 19.94055 8.658414 22.85893 10.10186 -2.918381      13.30472 
1 1 1 -25 25 25 o 21.22261 8.344579 27.53620       25.38903 5.273599       30.80379 74.70000       44.83535 18.09882 8.173607 29.14486 11.19136 -11.04604      13.85837 
1 1 1 -25 25 26 o 29.53386 8.516336 59.95185       25.96999 48.77892       31.18751 85.22000       46.90120 25.64032 9.441434 30.36891 11.49789 -4.728594      14.87757 
1 1 1 -25 25 27 o 21.47888 7.950791 29.36364       22.16722 37.33778       29.51688 19.04834       33.57141 23.23981 9.038161 20.25492 8.872086 2.984892       12.66500 
1 1 1 -25 25 28 o 18.31499 7.737982 14.98596       23.83332 18.59332       28.75611 7.071000       42.59515 19.60515 8.398338 19.80548 9.188877 -0.2003326     12.44860 
1 1 1 -25 25 29 f 14.10089 6.483999 -5.322812      20.53129 -1.658662      28.00355 -9.581738      30.19094 16.51774 7.586970 16.08371 7.551529 0.4340363      10.70456 
1 1 1 -25 25 30 o 34.79268 7.327109 76.13858       24.16349 50.27000       36.43337 96.45287       32.28597 25.28664 9.979639 37.15994 8.977633 -11.87329      13.42353 
1 1 1 -25 25 31 o 14.33987 6.521863 -2.526337      20.03402 -7.408137      28.33504 2.353634       28.32973 15.85548 7.402581 17.04638 7.753847 -1.190900      10.72009 
1 1 1 -25 25 32 o 11.92901 5.732203 -19.26540      19.52109 -8.185317      27.48460 -30.54505      27.73102 15.50755 7.256620 13.43313 6.543798 2.074421       9.771379 
1 1 1 -25 25 33 o 17.65079 7.300276 14.86202       20.54776 24.23241       29.62818 6.178720       28.52127 20.44122 8.631487 17.51070 7.890372 2.930517       11.69447 
1 1 1 -25 25 34 o 23.65923 7.825413 38.06720       21.07955 40.58850       30.31632 35.70728       29.33010 23.36218 9.138451 22.41065 8.919020 0.9515285      12.76950 
1 1 1 -25 25 35 o 11.76572 5.667550 -19.47443      19.35619 -34.85252      26.83048 -2.784467      27.95149 12.73572 6.252782 16.05889 7.448211 -3.323170      9.724872 
1 1 1 -25 25 36 o 12.91473 6.080883 -10.51951      19.82234 -25.88909      28.07043 4.768422       27.99577 13.69064 6.649725 16.88135 7.690125 -3.190710      10.16646 
1 1 1 -25 25 37 o 19.34246 7.572657 24.05900       20.83250 14.05542       29.56888 33.91872       29.35549 18.19286 8.128426 21.42782 8.779644 -3.234966      11.96467 
1 1 1 -25 25 38 o 21.17391 8.806981 33.56901       30.14186 33.56901       30.14186 0.000000       0.000000 21.17391 8.806981 ?        ?        ?              ?        
1 1 1 -25 26 1  o 36.95196 5.826880 76.32370       20.37812 64.97688       33.35621 83.08048       25.74006 30.44180 9.829964 37.31900 7.308116 -6.877199      12.24895 
1 1 1 -25 26 2  o 31.06636 6.722435 56.53833       19.84739 6.492211       32.80574 85.43203       24.92679 19.23765 8.580756 38.20502 6.920337 -18.96737      11.02363 
1 1 1 -25 26 3  o 25.23367 7.264832 38.62925       18.91212 43.96863       32.23091 35.82561       23.35540 25.67399 9.571284 23.96091 8.237265 1.713076       12.62783 
1 1 1 -25 26 4  o 18.23829 7.165318 15.87118       18.70688 2.806490       30.88124 23.44435       23.51171 18.34594 8.243298 20.75835 8.068375 -2.412416      11.53476 
1 1 1 -25 26 5  o 17.85676 7.161793 14.15032       19.05940 -0.7439592     30.39907 23.79741       24.46520 17.75986 8.060151 20.91602 8.201152 -3.156160      11.49891 
1 1 1 -25 26 6  o 17.04764 7.083310 10.35225       19.46886 -6.524726      31.22506 21.08605       24.90190 17.22881 7.948960 20.35342 8.178246 -3.124611      11.40481 
1 1 1 -25 26 7  o 25.15221 7.616109 39.16705       20.35766 14.60799       32.76549 54.60849       25.98094 20.30081 8.830754 28.92526 8.568357 -8.624458      12.30443 
1 1 1 -25 26 8  o 21.30132 7.548848 26.68263       19.70042 28.11382       31.40318 25.75386       25.29759 22.37394 9.113557 21.40052 8.354598 0.9734173      12.36350 
1 1 1 -25 26 9  o 31.56530 7.864507 62.17860       24.20922 42.98861       32.98038 84.60000       35.64918 25.31982 9.628823 34.57056 9.980773 -9.250738      13.86831 
1 1 1 -25 26 10 o 18.07192 7.637356 11.54160       23.22780 -20.39911      31.62792 48.94000       34.22354 15.82351 7.518521 26.45254 9.862480 -10.62903      12.40148 
1 1 1 -25 26 11 o 32.51606 6.947698 63.01437       21.44158 28.01187       32.74936 89.27524       28.36663 22.33640 9.225181 37.92568 7.898241 -15.58928      12.14439 
1 1 1 -25 26 12 o 29.95483 7.252384 54.75490       21.03475 33.24456       32.36869 70.47921       27.67498 23.19991 9.323365 32.84840 8.531923 -9.648489      12.63799 
1 1 1 -25 26 13 o 55.22445 4.986855 165.0892       26.66639 96.03000       43.47749 206.7344       33.76260 34.74477 11.22294 60.93155 5.728113 -26.18678      12.60022 
1 1 1 -25 26 14 o 47.50245 5.525863 125.0741       25.21438 97.46000       40.74910 142.2066       32.09687 35.78491 10.76214 49.23200 6.845452 -13.44709      12.75476 
1 1 1 -25 26 15 o 20.33120 7.749592 23.52495       21.39419 20.68527       31.14723 26.06136       29.43705 20.75933 8.811654 21.54259 8.805195 -0.7832546     12.45699 
1 1 1 -25 26 16 o 12.65125 5.997945 -15.93454      19.91151 -17.70358      28.75910 -14.30579      27.59521 15.18292 7.201179 15.22846 7.171673 -0.4553795E-01 10.16316 
1 1 1 -25 26 17 o 32.46572 7.014722 64.00774       21.63971 60.03498       30.50553 68.03177       30.70175 28.90156 9.405892 30.92874 9.350390 -2.027184      13.26275 
1 1 1 -25 26 18 o 19.14216 7.729564 18.96214       22.36387 34.98000       33.93961 6.670380       29.73115 23.08117 9.446759 18.17551 8.133527 4.905666       12.46577 
1 1 1 -25 26 19 o 16.46048 7.524291 -1.865723      27.10067 -1.865723      27.10067 0.000000       0.000000 16.46048 7.524291 ?        ?        ?              ?        
1 1 1 -25 26 20 o 17.75657 7.823543 8.378790       26.45690 8.378790       26.45690 0.000000       0.000000 17.75657 7.823543 ?        ?        ?              ?        
1 1 1 -25 26 21 o 14.64931 6.772612 -6.713897      22.83513 -13.84797      26.98269 11.29000       42.86471 14.93463 7.051090 20.40054 9.376388 -5.465906      11.73177 
1 1 1 -25 26 22 o 19.78220 8.855680 13.53602       35.27884 10.35000       57.58775 15.45000       44.63499 21.65391 10.24666 21.00270 9.621552 0.6512108      14.05590 
1 1 1 -25 26 23 o 20.01988 8.127769 22.26451       24.87972 -11.61796      29.97208 97.35000       44.61773 15.92213 7.490835 33.38919 11.38795 -17.46706      13.63078 
1 1 1 -25 26 24 o 24.46371 8.560387 41.40016       25.27494 2.316100       30.47637 127.5000       45.23396 17.55932 8.008453 39.33626 11.20698 -21.77694      13.77431 
1 1 1 -25 26 25 o 19.41182 7.940635 20.33386       23.96391 10.47313       28.86181 42.22000       42.99854 18.35130 8.124563 23.88622 10.25163 -5.534922      13.08069 
1 1 1 -25 26 26 o 20.24186 8.601271 21.88382       29.73240 21.88382       29.73240 0.000000       0.000000 20.24186 8.601271 ?        ?        ?              ?        
1 1 1 -25 26 27 o 13.98473 6.783640 -28.59716      28.96008 -28.59716      28.96008 0.000000       0.000000 13.98473 6.783640 ?        ?        ?              ?        
1 1 1 -25 26 28 o 33.39253 7.201991 69.89437       22.84726 46.85622       30.88802 97.72734       33.95049 25.02783 9.361878 36.73412 9.403275 -11.70630      13.26900 
1 1 1 -25 26 29 o 19.00507 7.789960 19.21728       23.12153 -20.28000      33.88197 53.64190       31.63148 15.82029 7.588928 26.42201 9.541901 -10.60172      12.19179 
1 1 1 -25 26 30 o 19.04443 7.582546 20.61865       21.20751 -10.00567      29.47283 53.49976       30.53949 15.75744 7.417957 26.39322 9.394234 -10.63578      11.96987 
1 1 1 -25 26 31 o 16.69957 7.103025 10.69186       20.31074 -12.21382      28.77347 33.43983       28.67424 15.34128 7.254564 22.08222 8.808688 -6.740936      11.41147 
1 1 1 -25 26 32 o 11.33845 5.513227 -24.48580      19.43679 -42.56690      27.20345 -5.628527      27.78120 12.36944 6.115245 15.82595 7.369130 -3.456512      9.576027 
1 1 1 -25 26 33 o 11.93184 5.731616 -18.45260      19.47923 -7.039969      27.58773 -29.79939      27.50804 15.51371 7.262971 13.32782 6.498026 2.185892       9.745517 
1 1 1 -25 26 34 o 14.60920 6.867912 -9.150579      25.11011 -59.78000      54.44364 4.529070       28.29979 16.57216 8.268848 16.96469 7.729513 -0.3925304     11.31898 
1 1 1 -25 26 35 o 31.29501 8.558078 71.33879       26.96460 88.36000       56.53487 66.32647       30.67898 27.00495 11.67386 28.58790 9.439932 -1.582947      15.01304 
1 1 1 -25 26 36 o 16.88202 7.540989 9.082548       25.43373 -2.955000      54.72781 12.39853       28.72402 19.06004 9.263992 17.82524 7.984355 1.234806       12.22994 
1 1 1 -25 27 1  o 16.61913 6.953510 9.296488       18.95401 20.90367       31.35500 2.612639       23.79342 20.97796 8.869852 16.58197 7.357140 4.395988       11.52397 
1 1 1 -25 27 2  o 19.65585 7.352418 21.36444       19.05126 11.71068       30.67506 27.42635       24.30759 19.42024 8.494239 21.61415 8.255115 -2.193913      11.84479 
1 1 1 -25 27 3  o 31.21999 6.851964 57.99838       20.36309 7.150466       32.16955 91.99313       26.30355 19.01971 8.489437 39.30468 7.098125 -20.28496      11.06589 
1 1 1 -25 27 4  o 27.24471 7.276915 45.55985       19.77289 20.87107       31.32915 61.90484       25.49125 20.94326 8.861213 30.99250 8.255428 -10.04923      12.11087 
1 1 1 -25 27 5  o 20.30597 7.589536 23.44171       20.29165 -10.85696      30.99678 49.16346       26.84283 16.56896 7.737925 27.05293 8.824473 -10.48397      11.73656 
1 1 1 -25 27 6  o 18.03507 7.303773 14.64756       20.03336 18.50880       30.50428 11.71912       26.56529 20.41060 8.693961 18.65724 8.033330 1.753361       11.83720 
1 1 1 -25 27 7  o 27.09623 8.234877 47.74448       23.76995 -0.6362682     30.40439 123.8000       38.12110 17.60519 8.017636 42.92399 9.339290 -25.31880      12.30873 
1 1 1 -25 27 8  o 36.91892 7.162920 81.91307       24.95082 61.81009       32.46981 110.9000       38.98977 29.34686 9.712390 39.51517 10.05674 -10.16831      13.98100 
1 1 1 -25 27 9  o 18.13064 7.723619 11.47157       24.07948 -12.80151      31.44600 45.88000       37.43995 16.44175 7.715595 25.51271 10.10157 -9.070961      12.71110 
1 1 1 -25 27 10 o 47.82313 5.107871 124.8117       23.54049 97.43491       35.19150 146.9823       31.66898 37.50756 9.558928 50.30719 6.589549 -12.79963      11.61014 
1 1 1 -25 27 11 o 33.58610 6.986578 67.79394       22.21930 49.76824       33.58032 81.83191       29.63405 26.31581 9.777500 35.21596 8.658629 -8.900148      13.06030 
1 1 1 -25 27 12 o 26.00928 8.118146 44.19703       22.91525 -18.98000      37.94468 80.46593       28.75004 17.16073 8.176869 35.03307 8.476778 -17.87234      11.77782 
1 1 1 -25 27 13 o 29.53357 7.662239 55.31131       22.33749 50.37820       33.77126 59.14811       29.78321 26.23875 9.794255 28.85259 9.286063 -2.613840      13.49661 
1 1 1 -25 27 14 o 16.40497 7.125751 6.391903       21.27024 -15.27629      31.34338 24.88904       28.95921 15.98853 7.563907 21.06661 8.685284 -5.078075      11.51724 
1 1 1 -25 27 15 o 46.35750 5.345078 119.6965       23.81029 118.7458       35.34069 120.4868       32.22081 42.05275 8.865467 43.73529 7.813344 -1.682541      11.81714 
1 1 1 -25 27 16 o 19.35696 7.633920 20.61300       21.30511 9.438581       31.23429 30.33585       29.13508 18.75626 8.368933 21.99432 8.843141 -3.238058      12.17539 
1 1 1 -25 27 17 o 17.13851 7.321921 10.12683       21.75027 0.2136353      31.41334 19.25562       30.14491 17.58601 8.062062 20.05748 8.595565 -2.471468      11.78476 
1 1 1 -25 27 18 o 16.89886 7.227396 9.680730       21.23396 -15.40790      29.64705 36.10648       30.42683 15.44036 7.319837 23.04875 9.112612 -7.608387      11.68844 
1 1 1 -25 27 19 o 17.74526 7.453069 13.39442       21.90286 20.84228       29.64649 4.443554       32.50052 20.15476 8.577435 18.19843 8.288424 1.956329       11.92771 
1 1 1 -25 27 20 o 15.71858 7.157660 -1.567085      24.22339 2.685000       35.83973 -5.143063      32.86708 18.55027 8.543324 17.18559 8.006618 1.364679       11.70873 
1 1 1 -25 27 21 o 19.46076 8.500309 15.62897       30.62721 15.62897       30.62721 0.000000       0.000000 19.46076 8.500309 ?        ?        ?              ?        
1 1 1 -25 27 22 o 14.46381 6.830387 -13.61684      25.34711 -28.74206      29.74405 26.50000       48.44093 14.20637 6.887313 22.22278 10.12037 -8.016406      12.24161 
1 1 1 -25 27 23 o 15.26566 7.031204 -4.475564      24.28303 10.74237       29.69232 -35.21000      42.19674 18.48549 8.209252 16.39788 8.006469 2.087614       11.46714 
1 1 1 -25 27 24 o 18.41398 7.835994 14.99132       24.73936 27.81118       29.70203 -14.05000      44.70464 21.24879 8.781659 18.24703 8.743505 3.001760       12.39219 
1 1 1 -25 27 25 o 22.96471 9.099253 36.98095       30.39910 36.98095       30.39910 0.000000       0.000000 22.96471 9.099253 ?        ?        ?              ?        
1 1 1 -25 27 26 o 27.04774 8.651387 51.97633       25.87995 67.80582       31.21499 17.17000       46.28698 29.92679 9.493392 20.99923 9.684786 8.927561       13.56169 
1 1 1 -25 27 27 o 31.65460 8.367276 68.54816       26.31407 52.43319       31.76423 103.8000       46.98017 26.08201 9.540842 33.20749 11.66708 -7.125475      15.07144 
1 1 1 -25 27 28 o 27.50773 8.408762 53.02640       24.73660 26.43000       35.75919 77.43225       34.25493 21.19307 9.222045 31.26097 9.948260 -10.06790      13.56518 
1 1 1 -25 27 29 o 15.59196 6.917518 4.006192       21.03204 25.35049       29.20926 -18.97528      30.30879 20.53220 8.614162 15.03003 7.201297 5.502175       11.22775 
1 1 1 -25 27 30 o 17.66281 7.336944 14.93242       20.88012 26.05906       28.89681 2.775981       30.20447 20.63191 8.605648 17.29952 7.921255 3.332388       11.69630 
1 1 1 -25 27 31 o 13.16657 6.145417 -8.568881      19.50527 -13.99995      27.03718 -2.674543      28.16672 14.65681 6.960513 16.16818 7.491244 -1.511374      10.22582 
1 1 1 -25 27 32 o 18.05427 7.347620 17.71505       20.39103 -5.259207      29.04837 40.03341       28.63071 15.96531 7.467372 23.12304 8.926345 -7.157723      11.63792 
1 1 1 -25 27 33 o 13.66210 6.538536 -16.81847      24.83349 -50.41000      54.06102 -7.834533      27.95777 16.82933 8.371653 15.35749 7.228159 1.471839       11.06033 
1 1 1 -25 27 34 o 17.29946 7.648073 11.52397       25.48820 -1.439000      54.26472 15.19340       28.87117 19.16991 9.295787 18.28109 8.107993 0.8888245      12.33496 
1 1 1 -25 27 35 o 21.55856 8.465487 34.34328       26.10032 105.0000       55.37836 14.16617       29.59327 28.72438 11.94164 18.14703 8.118160 10.57735       14.43979 
1 1 1 -25 28 1  o 25.08004 7.597509 39.70943       20.25533 39.15308       32.41016 40.06601       25.94675 24.15374 9.448564 24.56785 8.667285 -0.4141083     12.82175 
1 1 1 -25 28 2  o 19.67650 7.454734 21.66264       19.72363 -25.52661      30.68862 54.87295       25.74496 14.97519 7.193693 28.66637 8.538748 -13.69117      11.16510 
1 1 1 -25 28 3  o 32.28546 6.810337 62.30531       20.84379 -3.386719      31.37011 114.2335       27.89083 17.38087 8.000445 44.13639 6.663276 -26.75552      10.41184 
1 1 1 -25 28 4  o 40.91708 5.596738 93.78604       21.82851 56.36849       33.00586 122.8752       29.10176 27.74467 9.776545 45.73096 6.700025 -17.98630      11.85205 
1 1 1 -25 28 5  o 33.76530 6.941010 68.59023       22.17329 13.97099       32.46148 116.3649       30.35948 19.79638 8.696110 43.75220 7.349360 -23.95582      11.38575 
1 1 1 -25 28 6  o 23.60160 8.297513 36.21958       23.76485 25.23784       31.30767 51.15000       36.50491 21.42169 8.947932 26.22885 10.09142 -4.807159      13.48712 
1 1 1 -25 28 7  o 25.62099 8.353589 43.66571       24.05590 33.61427       31.43998 57.86000       37.36158 22.92482 9.196983 27.42437 10.28844 -4.499550      13.79988 
1 1 1 -25 28 8  o 17.11511 7.198120 10.80909       20.47326 -10.07773      30.28485 28.38837       27.78369 16.29992 7.624127 21.70791 8.667008 -5.407993      11.54315 
1 1 1 -25 28 9  f 15.49563 6.873463 2.079457       20.75513 11.75019       31.49227 -5.346581      27.59642 19.22112 8.499290 16.18331 7.468819 3.037815       11.31464 
1 1 1 -25 28 10 o 19.54178 7.811982 20.63168       22.60084 -6.630000      37.20959 36.56887       28.45014 17.98351 8.424314 23.35921 8.928602 -5.375692      12.27555 
1 1 1 -25 28 11 o 17.27857 7.429246 9.832630       22.65928 -25.89000      37.03767 31.20110       28.64565 16.23367 7.824812 22.14875 8.814484 -5.915077      11.78655 
1 1 1 -25 28 12 o 20.64575 7.854190 25.75647       21.94877 6.324319       32.62027 41.83216       29.66961 18.53681 8.387453 24.35717 9.161889 -5.820358      12.42134 
1 1 1 -25 28 13 o 18.65429 7.557255 17.65652       21.45680 28.92843       32.01653 8.466066       28.90974 21.81714 9.075805 18.19769 8.089801 3.619448       12.15792 
1 1 1 -25 28 14 o 12.96722 6.164645 -16.47722      21.31944 -21.94640      31.29025 -11.73833      29.12638 15.23216 7.303135 15.70097 7.386044 -0.4688120     10.38698 
1 1 1 -25 28 15 f 14.64509 6.703842 -4.059713      21.61249 -19.03334      31.62583 9.060279       29.60365 15.53802 7.420635 18.32050 8.162769 -2.782485      11.03162 
1 1 1 -25 28 16 o 24.81906 8.068628 41.39614       22.45123 -9.080462      32.72659 86.27161       30.85746 16.70568 7.849448 35.17914 8.943168 -18.47346      11.89933 
1 1 1 -25 28 17 o 15.45521 6.940286 0.8977163      21.85390 18.92204       31.53453 -15.75810      30.31376 20.01326 8.684834 15.52444 7.371878 4.488823       11.39170 
1 1 1 -25 28 18 o 30.94853 8.482554 65.36147       26.45623 48.24067       33.06022 95.85000       44.11760 25.33751 9.639305 33.02168 11.32233 -7.684172      14.86981 
1 1 1 -25 28 19 o 19.33482 7.749182 20.64200       22.29777 12.47962       31.33174 29.01839       31.73983 19.03639 8.444524 21.66553 9.026528 -2.629137      12.36075 
1 1 1 -25 28 20 o 18.24023 7.579276 15.95938       22.29254 9.864440       31.24115 22.28213       31.81963 18.57109 8.322008 20.44654 8.797729 -1.875446      12.11016 
1 1 1 -25 28 21 o 22.07605 8.101998 32.12005       22.93517 45.12395       32.64278 19.44172       32.23158 24.53339 9.514856 20.04658 8.738788 4.486811       12.91894 
1 1 1 -25 28 22 o 13.72748 6.634340 -25.33957      27.05725 -45.63000      35.02393 4.695000       42.61181 14.23450 7.018824 19.46601 9.084846 -5.231518      11.48034 
1 1 1 -25 28 23 o 21.41789 8.918267 28.96194       30.95744 28.96194       30.95744 0.000000       0.000000 21.41789 8.918267 ?        ?        ?              ?        
1 1 1 -25 28 24 o 21.46205 8.954390 29.19903       31.29911 29.19903       31.29911 0.000000       0.000000 21.46205 8.954390 ?        ?        ?              ?        
1 1 1 -25 28 25 o 16.54659 7.432250 3.862288       25.07947 20.16236       30.30265 -31.58000      44.68346 19.86259 8.566299 16.94114 8.264572 2.921453       11.90314 
1 1 1 -25 28 26 o 20.30464 8.496480 23.99948       28.30372 32.96000       36.65089 10.76000       44.55058 22.16199 9.487222 20.10645 9.352001 2.055536       13.32169 
1 1 1 -25 28 27 o 24.80115 8.698995 44.77592       26.10991 31.06437       31.57951 74.40000       46.41779 21.59261 9.000518 27.70064 11.15339 -6.108030      14.33204 
1 1 1 -25 28 28 o 18.72565 7.860764 18.12970       24.34507 12.54759       29.13665 31.04000       44.31071 18.39817 8.153326 21.96423 9.871280 -3.566059      12.80308 
1 1 1 -25 28 29 o 11.79617 5.705944 -22.08549      20.12368 -29.96655      27.39114 -12.84302      29.66277 13.31587 6.490432 15.41203 7.310890 -2.096154      9.776237 
1 1 1 -25 28 30 o 19.17885 7.519077 22.36934       20.56282 39.02168       28.60445 4.561110       29.58055 22.90607 8.900449 17.22201 7.868073 5.684055       11.87959 
1 1 1 -25 28 31 o 13.41325 6.212718 -5.759502      19.34857 -28.73738      26.73913 19.49535       28.03269 13.11387 6.396544 19.06329 8.230485 -5.949420      10.42385 
1 1 1 -25 28 32 o 21.16769 8.393050 31.88283       25.88045 -11.58000      56.06196 43.65379       29.17529 18.80179 9.190616 23.47495 9.024269 -4.673164      12.88041 
1 1 1 -25 28 33 o 18.04490 7.809624 16.83238       25.36032 -26.24000      54.01167 29.01375       28.72342 17.61924 8.693157 20.36921 8.543769 -2.749966      12.18881 
1 1 1 -25 28 34 o 16.34426 7.786370 -6.553705      34.37388 -10.21000      53.83449 -4.037000      44.66384 18.30634 8.960652 17.84109 8.597872 0.4652538      12.41840 
1 1 1 -25 29 1  o 40.17191 5.865132 92.46767       22.38259 50.85943       33.55510 125.8214       30.04285 26.00613 9.751539 45.69856 6.933754 -19.69243      11.96534 
1 1 1 -25 29 2  o 39.02928 5.931999 87.62548       21.94955 65.07332       33.48413 104.6182       29.06544 29.18681 9.866428 40.94982 7.528694 -11.76301      12.41079 
1 1 1 -25 29 3  o 17.44814 7.634884 8.520256       24.80534 -9.969518      31.00345 41.41000       41.34990 16.34245 7.666486 24.03766 10.17578 -7.695219      12.74055 
1 1 1 -25 29 4  o 35.16428 7.662976 78.46622       25.62883 44.44335       34.27731 121.6000       38.59491 24.64137 9.693695 41.15860 9.733766 -16.51722      13.73732 
1 1 1 -25 29 5  o 16.50058 7.326817 4.344158       23.64428 -5.275506      31.01638 17.69000       36.53291 16.83626 7.821509 20.48014 9.099867 -3.643877      11.99932 
1 1 1 -25 29 6  o 14.84123 6.974184 -12.04488      25.84769 -37.25420      31.28337 42.19000       45.88517 14.01097 6.852329 24.12390 10.47239 -10.11293      12.51500 
1 1 1 -25 29 7  o 38.27545 6.440160 86.58591       23.27231 28.08221       34.49894 135.4400       31.52568 21.78086 9.260541 47.26637 7.027559 -25.48551      11.62515 
1 1 1 -25 29 8  o 21.61915 8.138105 29.64600       23.41896 -2.231000      38.64653 48.14428       29.43998 18.51557 8.644753 25.76854 9.217870 -7.252975      12.63728 
1 1 1 -25 29 9  o 22.88119 8.244788 34.65346       23.60019 -13.86000      38.07233 64.92739       30.07549 17.33932 8.241693 29.84035 9.298300 -12.50103      12.42513 
1 1 1 -25 29 10 o 39.47486 6.399294 92.12254       23.88042 15.33865       34.64724 161.6099       32.95994 19.87137 8.843698 52.12964 6.607682 -32.25827      11.03959 
1 1 1 -25 29 11 o 14.98662 6.799214 -1.626997      21.60914 23.54797       31.97165 -22.79935      29.32009 20.75897 8.873142 14.61568 7.023706 6.143284       11.31658 
1 1 1 -25 29 12 o 12.90647 6.137647 -16.14888      21.16558 -15.43398      30.63029 -16.80216      29.28061 15.59730 7.407570 15.14536 7.207073 0.4519482      10.33509 
1 1 1 -25 29 13 o 19.18316 7.711055 20.15179       22.14734 43.65634       32.31113 -0.6774625     30.41677 24.36335 9.461552 17.14556 7.886964 7.217794       12.31768 
1 1 1 -25 29 14 o 13.35959 6.283356 -12.14323      21.06023 -33.48919      30.17815 8.121958       29.40425 13.94774 6.801557 18.10830 8.097136 -4.160564      10.57472 
1 1 1 -25 29 15 o 26.33088 7.991076 46.38707       22.39402 35.78497       32.47164 56.00314       30.92480 22.87583 9.286079 27.27848 9.473832 -4.402647      13.26593 
1 1 1 -25 29 16 o 29.38725 8.492918 59.61462       25.80065 48.40524       32.25735 79.52000       42.98561 25.34209 9.548598 29.92314 11.07263 -4.581047      14.62118 
1 1 1 -25 29 17 o 25.29439 9.015285 46.72995       28.13440 -59.49000      58.37132 78.87389       32.11042 17.56553 8.731392 32.52954 9.496262 -14.96401      12.90024 
1 1 1 -25 29 18 o 28.35126 7.935570 53.82636       22.88711 22.09979       32.49632 85.05387       32.23972 20.41504 8.837873 34.04698 9.376731 -13.63193      12.88531 
1 1 1 -25 29 19 o 27.63189 8.021677 51.54329       22.96948 46.73145       32.19980 56.52870       32.77535 24.83400 9.497183 26.87226 9.711767 -2.038265      13.58363 
1 1 1 -25 29 20 o 20.70268 7.977334 27.04531       22.83637 66.88593       32.19358 -13.30381      32.39839 29.31773 9.669678 16.08050 7.631646 13.23722       12.31847 
1 1 1 -25 29 21 o 14.75423 6.777320 -3.916222      22.34982 -29.74150      30.98987 24.07527       32.26341 14.34414 6.971696 20.63221 8.867996 -6.288073      11.28033 
1 1 1 -25 29 22 o 45.21207 6.841565 124.7969       29.33169 109.7223       35.11408 159.6000       53.35407 39.01073 9.323124 41.45469 12.27846 -2.443954      15.41691 
1 1 1 -25 29 23 o 20.02460 8.289563 23.21766       26.52700 5.707675       31.59805 65.02000       48.82224 17.95619 8.175941 26.29733 11.09089 -8.341143      13.77875 
1 1 1 -25 29 24 f 14.26313 6.836147 -19.58544      27.36370 -12.89000      35.43956 -29.47000      43.06036 16.64942 7.924524 16.73409 8.152371 -0.8467102E-01 11.36922 
1 1 1 -25 29 25 o 28.20902 10.62976 71.58000       39.97772 71.58000       39.97772 0.000000       0.000000 28.20902 10.62976 ?        ?        ?              ?        
1 1 1 -25 29 26 o 16.29600 7.353583 3.419185       24.87538 -9.542003      29.53948 35.02000       46.12428 15.70294 7.402776 22.37924 10.06341 -6.676299      12.49293 
1 1 1 -25 29 27 f 26.17171 8.642531 50.03461       25.71481 53.19582       30.81867 42.79000       46.65463 25.98349 9.413709 23.24490 10.30836 2.738596       13.95995 
1 1 1 -25 29 28 o 19.25070 7.965203 21.63575       24.47482 28.41004       29.42591 6.430000       44.08612 20.78619 8.678102 19.24707 9.064356 1.539120       12.54878 
1 1 1 -25 29 29 o 15.29973 6.843521 3.472373       21.02259 -14.02734      29.17245 22.37807       30.32171 15.01175 7.157582 19.71198 8.535272 -4.700224      11.13920 
1 1 1 -25 29 30 o 13.73748 6.365181 -5.108459      20.33720 -20.87103      27.82940 12.95723       29.79322 13.98729 6.752140 18.12453 8.124004 -4.137245      10.56366 
1 1 1 -25 29 31 o 15.28475 7.081870 -1.801650      25.17170 -9.297000      54.81666 0.2011575      28.33585 18.62342 9.100108 16.14381 7.491609 2.479616       11.78712 
1 1 1 -25 29 32 o 18.20346 7.838278 17.93787       25.29300 17.84000       53.93057 17.96547       28.63782 20.14010 9.637965 18.50973 8.148097 1.630371       12.62069 
1 1 1 -25 30 1  o 25.12959 7.888834 42.09098       21.60710 -21.72803      32.57447 92.23156       28.87333 15.46717 7.425178 37.50744 8.101718 -22.04027      10.98959 
1 1 1 -25 30 2  o 20.54551 8.081583 25.63479       23.82219 -16.62340      31.62311 81.08000       36.22272 15.70691 7.478680 31.90779 10.23814 -16.20088      12.67873 
1 1 1 -25 30 3  o 29.85787 8.284822 60.54516       25.06369 29.56881       33.52082 99.82000       37.74477 21.77355 9.186859 35.84870 10.24508 -14.07516      13.76082 
1 1 1 -25 30 4  o 30.92721 8.086220 63.82442       24.75042 39.04163       32.94611 95.93000       37.49896 23.40040 9.405386 34.98240 10.27597 -11.58200      13.93043 
1 1 1 -25 30 5  o 20.68765 7.769924 26.67024       21.32171 11.73829       32.23047 38.29031       28.43233 18.98384 8.483786 23.36533 8.927071 -4.381489      12.31532 
1 1 1 -25 30 6  o 24.33684 8.101727 40.08538       22.58519 24.53838       34.07901 52.26183       30.15949 20.99580 9.069851 26.40909 9.341951 -5.413288      13.02053 
1 1 1 -25 30 7  o 22.28552 8.205438 32.89106       23.55556 10.32000       37.91470 47.07985       30.06106 19.55313 8.923409 25.22450 9.272592 -5.671371      12.86888 
1 1 1 -25 30 8  o 25.16497 8.449265 44.00635       24.55697 53.91000       40.85903 38.40596       30.72554 25.62378 10.41103 23.31965 9.176522 2.304127       13.87797 
1 1 1 -25 30 9  o 17.25258 7.352846 11.31412       21.84022 10.92356       32.66940 11.62972       29.36728 18.95066 8.499710 18.57147 8.209986 0.3791962      11.81732 
1 1 1 -25 30 10 f 26.97625 7.995776 48.77874       22.61915 35.39044       32.48424 61.37957       31.51443 22.75490 9.268961 28.40375 9.571851 -5.648848      13.32419 
1 1 1 -25 30 11 o 27.92913 7.913923 51.86474       22.61791 -5.493729      32.04285 108.8219       31.93056 16.90352 7.885316 40.55089 8.323616 -23.64737      11.46564 
1 1 1 -25 30 12 o 19.82395 7.765332 23.10613       21.91594 46.20304       31.60883 1.723246       30.41337 24.88357 9.434971 17.40694 7.962215 7.476625       12.34567 
1 1 1 -25 30 13 o 20.35060 7.823864 25.51612       21.93104 26.20856       31.39400 24.85612       30.64974 20.99443 8.876019 20.71904 8.765389 0.2753906      12.47461 
1 1 1 -25 30 14 o 34.33615 8.176629 78.98210       27.08520 60.30190       33.04818 117.2000       47.27048 27.59786 9.777537 35.67979 11.71467 -8.081938      15.25889 
1 1 1 -25 30 15 o 25.02358 9.022243 46.03958       28.26601 50.78000       60.61602 44.72237       31.95271 24.44353 11.20329 24.37230 9.424260 0.7122803E-01  14.64003 
1 1 1 -25 30 16 o 19.61841 7.739317 22.66146       21.90326 23.72875       30.54424 21.53163       31.42638 20.47342 8.709455 20.19204 8.716121 0.2813797      12.32174 
1 1 1 -25 30 17 o 25.06159 7.973977 42.77622       22.00872 41.28387       30.71374 44.35128       31.55331 23.67174 9.215788 24.24723 9.368055 -0.5754929     13.14120 
1 1 1 -25 30 18 o 15.47377 6.941514 1.979914       21.80001 -3.257186      30.19628 7.680840       31.50509 16.63366 7.723973 18.18091 8.233001 -1.547253      11.28902 
1 1 1 -25 30 19 o 16.70460 7.252186 8.900222       22.00848 -21.72642      30.17756 43.69804       32.16699 14.78486 7.110324 24.04917 9.411469 -9.264312      11.79544 
1 1 1 -25 30 20 o 12.57218 6.067307 -22.37515      22.43199 -14.04843      30.21585 -32.59948      33.48227 15.48404 7.354789 14.67263 7.157064 0.8114138      10.26238 
1 1 1 -25 30 21 o 14.22563 6.754012 -14.78243      25.42453 -5.736418      30.35164 -36.06000      46.54947 16.35742 7.644981 16.87979 8.276875 -0.5223713     11.26731 
1 1 1 -25 30 22 o 23.25253 8.150015 37.51027       22.91572 45.45707       31.52155 28.60249       33.37310 24.28294 9.368267 21.20755 9.065223 3.075392       13.03621 
1 1 1 -25 30 23 o 16.28598 7.311770 4.329900       24.24149 -12.80000      37.06347 17.13617       32.04646 16.82223 8.033766 19.33693 8.560993 -2.514706      11.74019 
1 1 1 -25 30 24 o 26.54272 9.268414 54.87769       29.61952 57.66000       38.94482 51.06000       45.61915 25.67675 10.25800 24.20012 10.47393 1.476624       14.66049 
1 1 1 -25 30 25 f 13.10925 6.314738 -21.16377      24.02951 -13.36931      29.00766 -38.21000      42.89767 15.16360 7.203639 16.02091 7.873831 -0.8573046     10.67191 
1 1 1 -25 30 26 o 16.97559 7.554189 8.376953       25.27353 29.14498       30.80008 -34.43000      44.21925 20.90471 8.812445 16.33396 8.020966 4.570749       11.91617 
1 1 1 -25 30 27 o 12.55152 6.201393 -40.10307      27.82070 -40.10307      27.82070 0.000000       0.000000 12.55152 6.201393 ?        ?        ?              ?        
1 1 1 -25 30 28 o 14.64555 6.828583 -5.446299      23.98185 6.633839       28.39684 -35.49000      44.78275 17.06914 7.763742 16.17365 7.967637 0.8954906      11.12470 
1 1 1 -25 30 29 o 15.61030 6.923359 6.356479       21.05025 -10.10849      28.75146 25.37918       30.90406 15.10462 7.174505 19.85630 8.607244 -4.751680      11.20527 
1 1 1 -25 30 30 o 14.43599 6.543547 1.167683       19.96029 4.645462       27.04897 -2.990340      29.57626 16.37415 7.496988 15.90985 7.471278 0.4643049      10.58418 
1 1 1 -25 30 31 o 17.14823 8.475187 -26.33000      52.10777 -26.33000      52.10777 0.000000       0.000000 17.14823 8.475187 ?        ?        ?              ?        
1 1 1 -25 31 1  o 27.09507 9.709440 57.05296       32.67884 79.21000       61.81837 48.46000       38.49757 27.35026 12.00787 24.82635 10.09878 2.523903       15.68995 
1 1 1 -25 31 2  o 23.25329 8.507132 37.15172       25.25523 -4.639379      33.62230 91.26000       38.25756 17.26251 8.060884 33.54074 10.49255 -16.27823      13.23146 
1 1 1 -25 31 3  o 20.83479 7.886484 27.25033       22.06273 -39.44073      33.70426 77.25360       29.18436 14.35250 7.038719 33.19062 8.829706 -18.83812      11.29191 
1 1 1 -25 31 4  o 22.28618 7.896971 32.64000       21.55881 10.09909       32.73542 49.90462       28.64908 18.81660 8.468235 26.03664 9.113664 -7.220041      12.44065 
1 1 1 -25 31 5  o 19.98186 7.908624 23.65082       22.94061 20.92000       39.65384 25.02456       28.12497 20.89955 9.369807 20.61122 8.534293 0.2883320      12.67389 
1 1 1 -25 31 6  o 23.67874 8.396393 38.76371       24.37561 34.49000       39.64949 41.36037       30.90604 22.59507 9.771934 23.80809 9.251415 -1.213022      13.45657 
1 1 1 -25 31 7  o 17.25700 7.704159 6.652055       26.50703 -1.489216      32.87091 21.79000       44.82281 17.38689 8.068607 21.28489 9.709361 -3.897995      12.62435 
1 1 1 -25 31 8  o 88.05443 5.311251 434.8076       45.56490 0.000000       0.000000 434.8076       45.56490 ?        ?        88.05443 5.311251 ?              ?        
1 1 1 -25 31 9  o 36.78420 6.903078 83.36875       23.94215 -0.6624771     34.99065 157.3474       32.83105 17.79302 8.280060 50.93253 6.751551 -33.13951      10.68376 
1 1 1 -25 31 10 o 48.58864 5.354458 133.3655       25.04402 69.60807       36.06376 192.7498       34.80496 28.94740 10.21774 57.01035 6.344429 -28.06295      12.02722 
1 1 1 -25 31 11 o 28.96205 7.982834 56.54220       23.35623 0.3074281      33.82586 107.7834       32.28910 17.70799 8.206318 39.81006 8.542064 -22.10207      11.84527 
1 1 1 -25 31 12 o 21.39622 8.481613 29.95080       26.42350 36.72088       33.25680 18.36000       43.51511 22.73426 9.333215 20.75900 9.506231 1.975258       13.32206 
1 1 1 -25 31 13 o 15.95948 7.368252 -2.981984      26.89425 23.39000       58.27521 -10.11892      30.31575 22.02682 10.38819 15.90282 7.497741 6.124002       12.81134 
1 1 1 -25 31 14 o 17.30272 7.398940 12.00138       22.24748 -8.937573      30.83166 34.74680       32.13412 16.11901 7.587818 22.30593 9.167681 -6.186920      11.90048 
1 1 1 -25 31 15 o 25.83545 8.161803 46.31298       23.09353 17.48527       32.13562 77.09904       33.20921 19.54121 8.615617 31.36790 9.770162 -11.82668      13.02632 
1 1 1 -25 31 16 o 31.24018 7.628657 63.95729       23.12227 46.47675       32.38609 82.13199       33.02286 24.51265 9.485408 32.68673 9.654221 -8.174082      13.53429 
1 1 1 -25 31 17 o 17.32792 7.368646 12.59880       21.84976 23.20579       30.96054 2.074045       30.84028 20.26523 8.698314 17.31478 7.956339 2.950449       11.78830 
1 1 1 -25 31 18 o 12.15038 5.890722 -24.29597      21.76286 0.7115719      29.96686 -52.20452      31.65734 16.98817 7.819604 12.93578 6.430074 4.052392       10.12384 
1 1 1 -25 31 19 o 20.00786 8.274307 23.87518       26.39302 7.012248       31.39083 64.55000       48.75275 17.96375 8.167568 25.92497 11.01503 -7.961218      13.71277 
1 1 1 -25 31 20 o 17.77269 7.549546 14.56432       22.89276 20.80175       31.18672 7.276342       33.71093 19.75493 8.604048 18.24648 8.359935 1.508444       11.99659 
1 1 1 -25 31 21 o 12.88125 6.141593 -15.78643      21.47537 6.546883       29.24576 -41.92023      31.63644 17.47261 7.920254 13.49301 6.656530 3.979607       10.34601 
1 1 1 -25 31 22 o 13.93870 6.563344 -10.78083      23.09764 -52.05000      33.51273 26.56155       31.87851 13.32360 6.621669 20.66584 8.847405 -7.342239      11.05093 
1 1 1 -25 31 23 o 18.99228 7.634704 21.24020       21.71206 2.149682       29.29541 44.50637       32.34097 16.88464 7.757148 23.77294 9.396149 -6.888302      12.18445 
1 1 1 -25 31 24 o 23.44816 7.993689 38.89130       21.98377 60.81002       29.69580 12.31268       32.70045 27.63529 9.291460 18.51627 8.386014 9.119015       12.51625 
1 1 1 -25 31 25 f 17.18549 7.507101 11.72487       23.89237 11.37036       28.67395 12.53000       43.21230 17.81318 7.978291 19.46657 9.105889 -1.653395      12.10662 
1 1 1 -25 31 26 f 12.14110 5.923696 -26.56246      22.97722 -16.36164      27.08082 -52.78000      43.41503 14.18384 6.798829 15.01785 7.475733 -0.8340092     10.10498 
1 1 1 -25 31 27 o 16.56558 7.357257 9.194542       23.85399 14.79922       28.31466 -4.510000      44.27597 18.02237 8.009319 17.87445 8.600359 0.1479187      11.75225 
1 1 1 -25 31 28 o 14.77483 6.867564 -2.856074      23.96212 17.95293       28.69124 -50.84000      43.56840 18.39072 8.123194 14.93175 7.441893 3.458971       11.01672 
1 1 1 -25 31 29 o 18.89523 8.245352 21.89673       28.75766 21.89673       28.75766 0.000000       0.000000 18.89523 8.245352 ?        ?        ?              ?        
1 1 1 -25 32 1  o 36.09521 7.110355 81.46326       24.22749 46.06000       63.57564 87.47812       26.20487 23.90038 11.13519 36.98730 7.495127 -13.08693      13.42272 
1 1 1 -25 32 2  o 47.89592 6.467955 137.3240       29.54868 28.87000       62.98648 167.9280       33.45901 22.63495 10.71247 52.76879 6.623367 -30.13384      12.59468 
1 1 1 -25 32 3  o 30.01617 9.341643 68.03629       30.36662 0.000000       0.000000 68.03629       30.36662 ?        ?        30.01617 9.341643 ?              ?        
1 1 1 -25 32 4  o 15.21321 7.204874 -13.08589      28.58416 0.000000       0.000000 -13.08589      28.58416 ?        ?        15.21321 7.204874 ?              ?        
1 1 1 -25 32 5  o 17.43504 7.722855 8.813663       26.11088 -18.78000      63.24704 14.48287       28.66795 19.79566 9.694427 18.70107 8.194836 1.094593       12.69399 
1 1 1 -25 32 6  o 24.26236 8.076957 40.57935       22.44729 44.65802       32.72731 36.95597       30.84664 24.13062 9.478270 22.71871 9.111334 1.411911       13.14740 
1 1 1 -25 32 7  o 21.73141 8.000879 31.52158       22.39512 12.03925       32.77061 48.59298       30.67600 18.85428 8.480042 25.12364 9.343101 -6.269367      12.61763 
1 1 1 -25 32 8  o 23.24443 8.163893 37.37413       23.00167 -1.907464      34.25069 69.64419       31.04379 17.44728 8.143434 30.09729 9.456939 -12.65001      12.47995 
1 1 1 -25 32 9  o 30.28629 7.931935 61.77561       23.78880 28.92010       36.40219 86.26566       31.42811 21.42778 9.314595 34.32755 9.176766 -12.89977      13.07573 
1 1 1 -25 32 10 o 26.20237 8.940531 51.13543       27.50116 30.10565       34.18217 89.73000       46.30687 21.51156 9.184248 30.26656 11.43253 -8.755001      14.66469 
1 1 1 -25 32 11 o 53.90026 6.146175 171.3747       31.84788 97.30000       64.25392 195.5000       36.66920 28.25335 12.32700 56.64382 6.746073 -28.39047      14.05220 
1 1 1 -25 32 12 o 27.58655 8.074439 52.42060       23.18822 52.91306       33.34977 51.95971       32.26340 25.64553 9.698725 25.59002 9.568880 0.5551338E-01  13.62456 
1 1 1 -25 32 13 o 16.97751 7.332901 10.52932       22.26939 -20.66293      31.44495 41.91564       31.54262 15.09989 7.260869 23.56398 9.290045 -8.464096      11.79089 
1 1 1 -25 32 14 o 18.40061 7.597590 17.77472       22.20474 5.462638       30.73942 31.20909       32.10987 17.67058 8.052934 21.58229 9.041712 -3.911709      12.10794 
1 1 1 -25 32 15 o 15.76532 7.060153 3.348706       22.44611 -14.99135      31.43265 22.43286       32.06396 15.58622 7.430984 20.15113 8.750955 -4.564911      11.48036 
1 1 1 -25 32 16 o 25.71728 8.214278 46.72492       23.33715 20.40749       32.44237 74.94601       33.59523 19.81534 8.699340 30.39327 9.869232 -10.57793      13.15600 
1 1 1 -25 32 17 o 24.30672 8.829409 44.31637       27.13538 21.74029       33.00933 91.37000       47.65506 19.98206 8.773701 29.74088 11.50682 -9.758820      14.47013 
1 1 1 -25 32 18 f 25.15725 8.856544 47.82299       27.08159 33.08428       32.18652 83.55000       50.11210 21.69361 9.067896 27.98373 11.46903 -6.290121      14.62071 
1 1 1 -25 32 19 o 24.43326 8.130290 42.26604       22.74524 42.75991       31.06524 41.69534       33.39413 23.51181 9.234682 23.16475 9.412007 0.3470650      13.18580 
1 1 1 -25 32 20 f 20.14457 8.120635 25.84584       24.63829 33.87000       36.84810 19.35752       33.13461 21.83332 9.431392 19.61031 8.692392 2.223007       12.82610 
1 1 1 -25 32 21 o 24.53402 8.454452 44.41578       24.60801 12.04000       36.35796 71.78417       33.42828 18.88831 8.664395 29.24448 9.858221 -10.35618      13.12464 
1 1 1 -25 32 22 o 19.01477 7.663274 22.08717       21.93515 19.12966       29.76800 25.60092       32.44679 19.06787 8.353209 20.22183 8.792145 -1.153961      12.12757 
1 1 1 -25 32 23 o 15.27635 6.875944 3.171017       21.59082 43.19059       29.21024 -45.02559      32.05584 23.33137 9.013705 13.22343 6.555373 10.10793       11.14539 
1 1 1 -25 32 24 o 13.91352 6.445157 -4.315583      20.83216 -28.46576      27.60919 27.60960       31.74389 13.22537 6.461527 20.24355 8.749269 -7.018182      10.87663 
1 1 1 -25 32 25 f 16.06880 7.063500 8.975657       21.45053 14.29240       28.34634 1.851481       32.81267 17.88074 7.975842 16.93515 7.926013 0.9455967      11.24436 
1 1 1 -25 32 26 o 16.77042 7.417092 11.20942       23.99459 -2.043990      28.37771 44.45000       44.94154 15.71941 7.361516 22.00846 9.911932 -6.289053      12.34659 
1 1 1 -25 32 27 o 35.09554 7.760012 85.92142       25.94868 69.45648       30.90094 125.3000       47.78831 28.24652 9.477955 33.18848 11.75761 -4.941965      15.10209 
1 1 1 -25 33 1  o 59.24569 6.565635 212.1243       37.43663 0.000000       0.000000 212.1243       37.43663 ?        ?        59.24569 6.565635 ?              ?        
1 1 1 -25 33 2  o 22.32251 8.388932 34.61778       24.86227 0.000000       0.000000 34.61778       24.86227 ?        ?        22.32251 8.388932 ?              ?        
1 1 1 -25 33 3  o 32.05352 8.177376 70.31818       25.73567 0.000000       0.000000 70.31818       25.73567 ?        ?        32.05352 8.177376 ?              ?        
1 1 1 -25 33 4  o 39.38874 7.809294 101.7094       29.04452 8.897000       64.26619 125.5323       32.55938 21.17580 10.23173 43.73744 7.895784 -22.56164      12.92408 
1 1 1 -25 33 5  o 33.41734 8.597503 78.67110       28.28317 91.40000       64.00188 75.58208       31.52878 27.47548 12.13435 31.33885 9.475731 -3.863375      15.39584 
1 1 1 -25 33 6  o 42.17104 6.210799 105.8984       24.87015 25.17000       65.08308 119.7022       26.91257 22.16341 10.60122 44.71621 6.325084 -22.55280      12.34473 
1 1 1 -25 33 7  o 39.00552 6.587685 92.70408       24.25674 48.96000       62.94867 100.3322       26.28676 23.76454 11.07466 40.19190 6.932126 -16.42737      13.06531 
1 1 1 -25 33 8  o 17.79087 7.805776 11.75850       26.08379 79.60000       60.86407 -3.504671      28.86926 26.54600 11.77304 16.21851 7.538410 10.32750       13.97970 
1 1 1 -25 33 9  o 15.19355 7.117027 -7.958163      26.55189 21.70000       58.39136 -15.68925      29.81238 21.64127 10.26337 15.14707 7.225864 6.494204       12.55188 
1 1 1 -25 33 10 f 20.51911 7.859626 27.21059       22.07641 -7.151415      30.57246 64.65003       31.91214 16.14812 7.587231 28.41475 9.631873 -12.26663      12.26128 
1 1 1 -25 33 11 o 32.73310 7.508573 69.99248       23.54498 55.14109       33.66677 84.20991       32.94038 25.87951 9.754126 32.92912 9.619693 -7.049606      13.69969 
1 1 1 -25 33 12 o 22.93915 8.106537 36.88322       22.70560 9.250799       32.10733 64.52684       32.11382 18.20857 8.271570 28.17327 9.659968 -9.964697      12.71746 
1 1 1 -25 33 13 o 27.57117 8.055576 53.10744       23.09793 25.67327       32.52201 81.03084       32.81071 20.47399 8.852370 31.95789 9.667206 -11.48390      13.10799 
1 1 1 -25 33 14 o 23.93580 8.176157 40.82754       23.00092 40.70700       31.96848 40.95691       33.11843 23.00291 9.258099 22.99178 9.361415 0.1112556E-01  13.16619 
1 1 1 -25 33 15 o 32.88301 7.529097 71.28132       23.71025 64.23734       32.22605 79.59456       35.00930 27.94121 9.672858 30.74109 10.08090 -2.799883      13.97100 
1 1 1 -25 33 16 f 13.67052 6.555356 -18.30954      25.23104 -30.23914      29.80488 11.86000       47.39785 13.81795 6.742890 19.96668 9.401830 -6.148730      11.56983 
1 1 1 -25 33 17 o 20.09570 7.911368 26.09288       22.84628 28.34759       30.73924 23.31039       34.14799 20.76194 8.780603 20.16177 8.885567 0.6001701      12.49209 
1 1 1 -25 33 18 o 16.81208 7.278461 11.15473       22.04242 33.74325       30.34837 -14.06625      32.06804 21.56736 8.891388 15.57285 7.446821 5.994512       11.59793 
1 1 1 -25 33 19 o 16.48705 7.367607 7.208942       24.30422 -11.61000      36.61832 22.02653       32.49298 16.53299 7.919820 19.65417 8.664487 -3.121178      11.73869 
1 1 1 -25 33 20 o 26.54680 8.097385 50.85602       22.95482 36.00930       31.25071 68.25291       33.82832 21.76413 9.002399 27.91357 9.891994 -6.149441      13.37515 
1 1 1 -25 33 21 f 20.10073 7.844759 27.50868       22.29868 25.82374       30.26636 29.50907       32.97805 19.91331 8.574430 20.56327 8.902591 -0.6499634     12.36030 
1 1 1 -25 33 22 o 19.12728 7.712360 23.76990       22.22885 16.64381       30.37597 31.98581       32.61611 18.42909 8.235967 20.79058 8.925897 -2.361486      12.14507 
1 1 1 -25 33 23 o 14.30467 6.589706 -1.603485      21.34213 11.84109       28.44587 -18.91803      32.28131 17.44438 7.868461 14.87315 7.202121 2.571235       10.66692 
1 1 1 -25 33 24 o 16.37077 7.140173 11.17027       21.54200 28.02454       29.07045 -9.356397      32.08161 19.91203 8.484565 15.61051 7.460357 4.301513       11.29800 
1 1 1 -25 33 25 o 15.47213 7.288672 -3.230740      28.54235 -3.230740      28.54235 0.000000       0.000000 15.47213 7.288672 ?        ?        ?              ?        
1 1 1 -25 34 1  o 27.52440 8.598956 55.56131       25.70379 0.000000       0.000000 55.56131       25.70379 ?        ?        27.52440 8.598956 ?              ?        
1 1 1 -25 34 2  o 18.68734 8.113590 16.86081       27.55153 13.83000       59.19765 17.69885       31.12843 20.91560 10.03259 19.18911 8.469150 1.726490       13.12933 
1 1 1 -25 34 3  o 30.49873 8.917377 69.23184       28.29547 17.22000       60.89173 83.55589       31.95509 21.20304 10.17170 32.93914 9.430842 -11.73609      13.87098 
1 1 1 -25 34 4  o 21.07365 8.006936 29.99895       22.79316 -23.92000      59.45926 39.28727       24.67841 18.79161 9.242368 23.28462 8.425555 -4.493011      12.50645 
1 1 1 -25 34 5  o 34.14757 7.363105 75.73151       23.88594 44.38000       60.47212 81.52711       26.00014 23.03080 10.77276 34.91486 7.804259 -11.88406      13.30259 
1 1 1 -25 34 6  o 29.29978 10.39935 76.51183       37.40003 20.74000       61.23190 109.7000       47.23478 21.37268 10.23901 32.85704 11.68441 -11.48436      15.53586 
1 1 1 -25 34 7  o 24.84311 9.006736 47.78116       28.21791 -1.616000      59.51869 62.10357       32.04869 19.92051 9.677330 27.45407 9.637031 -7.533552      13.65734 
1 1 1 -25 34 8  o 32.70695 7.544650 70.74518       23.66165 10.63000       57.80832 82.84360       25.93358 20.52771 9.864146 35.27468 7.725309 -14.74697      12.52924 
1 1 1 -25 34 9  o 17.42282 7.444248 13.69181       22.48779 -5.661000      56.16100 17.38720       24.54105 19.40307 9.420039 18.38072 7.812551 1.022348       12.23818 
1 1 1 -25 34 10 o 15.38474 6.976937 1.428344       22.72482 12.08000       55.16053 -0.7490581     24.93958 20.42949 9.768547 15.57610 7.156449 4.853390       12.10947 
1 1 1 -25 34 11 o 22.75348 8.181091 36.87347       23.22231 79.38000       57.35013 28.53721       25.39758 26.24049 11.54168 20.65262 8.272702 5.587870       14.20028 
1 1 1 -25 34 12 o 22.56394 8.224243 36.30339       23.57111 36.26000       58.04599 36.31196       25.79350 22.29300 10.46814 22.37669 8.513955 -0.8368683E-01 13.49331 
1 1 1 -25 34 13 o 38.26267 6.822016 91.64555       24.61304 -12.35000      58.35318 114.1515       27.14599 19.16053 9.368231 42.95952 6.672027 -23.79899      11.50129 
1 1 1 -25 34 14 o 20.56330 8.335013 28.71293       26.11624 9.518000       57.98846 33.59692       29.25067 20.24652 9.767002 21.50810 8.782536 -1.261581      13.13496 
1 1 1 -25 34 15 o 20.28912 9.096639 25.02098       37.38105 0.6337000      56.53064 43.97000       49.83055 19.51604 9.469314 22.56303 10.27112 -3.046982      13.97011 
1 1 1 -25 34 16 o 21.24941 8.739522 33.01170       29.22902 35.27000       56.81474 32.19885       34.08580 21.73883 10.25384 21.09804 9.092109 0.6407852      13.70429 
1 1 1 -25 34 17 o 18.09271 7.682539 17.76717       23.69091 -27.79000      33.06532 65.82484       33.96063 14.52364 7.090494 27.17592 9.876734 -12.65228      12.15833 
1 1 1 -25 34 18 o 43.20140 6.072761 113.2526       24.97179 58.93762       33.21516 183.8662       37.87223 25.72626 9.690199 52.48146 7.592775 -26.75520      12.31057 
1 1 1 -25 34 19 o 17.79305 7.455531 17.87641       21.83782 1.539351       29.13274 38.82972       32.99291 16.31244 7.578885 21.81316 9.153567 -5.500723      11.88391 
1 1 1 -25 34 20 o 12.92615 6.160264 -12.88054      21.55666 27.14339       28.90019 -63.07515      32.36454 19.77497 8.443913 12.15383 6.108541 7.621132       10.42180 
1 1 1 -25 34 21 o 13.91390 6.487842 -4.617332      21.65346 -12.08827      29.13353 4.603528       32.36616 14.76937 7.072104 16.95883 7.915709 -2.189455      10.61476 
1 1 1 -25 34 22 o 24.52963 8.596579 48.65440       25.49525 40.78442       30.87007 65.54000       45.21776 21.93677 8.997426 24.17412 10.44517 -2.237350      13.78605 
1 1 1 -25 35 1  o 20.74492 8.134521 29.14654       24.07043 -71.71000      58.68304 49.54753       26.39285 16.56430 8.311483 25.53395 8.757277 -8.969650      12.07355 
1 1 1 -25 35 2  o 37.24035 7.011744 88.00240       24.62157 37.83000       58.08673 98.99131       27.18452 22.33233 10.48192 39.07014 7.378752 -16.73781      12.81861 
1 1 1 -25 35 3  o 20.50320 8.493610 27.82457       27.87580 -12.63000      56.20816 41.02009       32.10176 18.93783 9.245325 22.89906 9.255680 -3.961233      13.08219 
1 1 1 -25 35 4  o 29.26180 10.51212 78.53331       38.33165 6.560000       57.78249 135.1000       51.22605 20.16059 9.731518 35.78260 12.20222 -15.62201      15.60758 
1 1 1 -25 35 5  o 21.54160 8.690080 33.30410       28.23723 -19.19000      56.42843 50.84023       32.61442 18.58019 9.111122 24.73118 9.532430 -6.150991      13.18635 
1 1 1 -25 35 6  o 14.58737 6.776112 -4.973665      23.27083 1.616000       55.26126 -6.394095      25.65659 19.64592 9.491384 14.98866 7.012945 4.657265       11.80118 
1 1 1 -25 35 7  f 26.21892 8.366183 50.52422       24.21298 78.55000       57.75816 44.54887       26.66957 25.78004 11.44907 24.09711 8.753293 1.682928       14.41185 
1 1 1 -25 35 8  o 17.37692 7.848009 8.844911       28.40294 5.265000       56.07411 10.08038       32.94144 19.79127 9.561441 18.13300 8.291378 1.658278       12.65575 
1 1 1 -25 35 9  o 19.86582 8.425447 25.24382       28.43703 -38.46000      55.90982 47.47499       33.02832 17.40786 8.634568 23.77059 9.463192 -6.362726      12.81046 
1 1 1 -25 35 10 o 16.95049 7.404894 11.50865       23.24929 -63.01000      55.74080 27.20295       25.58066 16.32947 8.180333 20.11404 8.213181 -3.784571      11.59199 
1 1 1 -25 35 11 o 18.94483 7.814734 22.03320       23.46167 -1.182000      57.89803 26.59424       25.66312 19.37022 9.440297 19.95691 8.196486 -0.5866947     12.50206 
1 1 1 -25 35 12 o 18.00826 7.918132 15.33606       26.97158 16.69000       57.31494 14.95095       30.56775 20.33324 9.783853 18.33394 8.222537 1.999300       12.78022 
1 1 1 -25 35 13 o 15.59550 7.236041 -1.051702      26.41990 -24.25000      54.69574 6.008195       30.17343 17.76068 8.760123 17.08326 7.857230 0.6774178      11.76757 
1 1 1 -25 35 14 o 15.09993 6.941765 0.2862728E-01  23.51354 11.90000       55.80155 -2.534321      25.92780 19.76973 9.547875 15.27996 7.116299 4.489769       11.90813 
1 1 1 -25 35 15 o 16.80502 7.558154 9.305461       26.03083 0.000000       0.000000 9.305461       26.03083 ?        ?        16.80502 7.558154 ?              ?        
1 1 1 -25 35 16 o 27.57261 8.872681 61.24201       27.19130 0.000000       0.000000 61.24201       27.19130 ?        ?        27.57261 8.872681 ?              ?        
1 1 1 -25 35 17 o 16.21562 7.229941 9.050985       23.26591 -48.74000      54.48459 21.93890       25.72971 16.30902 8.157933 18.65654 7.966846 -2.347515      11.40274 
1 1 1 -25 35 18 o 16.46169 7.295971 10.64056       23.33759 71.01000       55.72084 -2.202258      25.70037 23.69826 10.81611 15.08707 7.045868 8.611197       12.90862 
1 1 1 -25 35 19 o 24.19797 8.864991 49.59024       27.43922 -19.49000      56.30985 71.10127       31.42231 17.62857 8.730175 28.19829 9.557673 -10.56972      12.94469 
1 1 1 -25 36 1  o 22.97236 9.525949 45.51552       35.11238 67.07000       58.13938 33.14000       44.05380 24.01008 10.99242 21.13326 9.634624 2.876825       14.61709 
1 1 1 -25 36 2  o 43.45264 7.864060 128.6531       32.21690 65.36000       59.91791 154.3928       38.21033 23.75519 10.97825 46.08601 8.791130 -22.33082      14.06435 
1 1 1 -25 36 3  o 37.01680 8.084045 95.81458       28.46860 35.88000       57.17809 115.5694       32.82674 21.50792 10.18721 39.86985 8.659957 -18.36193      13.37064 
1 1 1 -25 36 4  f 19.02362 7.827053 22.94081       23.45579 34.64000       54.64840 20.29883       25.96955 21.36020 10.06949 18.66698 7.988411 2.693222       12.85338 
1 1 1 -25 36 5  o 25.10340 9.032000 51.74910       28.30960 23.59000       56.39781 61.23418       32.73205 20.57538 9.848875 26.26224 9.672062 -5.686855      13.80395 
1 1 1 -25 36 6  o 16.03344 7.415396 1.388322       27.41442 48.90000       55.80104 -13.72781      31.47477 22.39255 10.43251 15.23088 7.308342 7.161667       12.73770 
1 1 1 -25 36 7  o 16.06441 7.413680 2.112143       27.18693 -49.66000      55.20172 18.69128       31.23816 16.57629 8.279452 18.74577 8.366504 -2.169474      11.77063 
1 1 1 -25 36 8  o 22.03895 8.277745 36.77792       24.20031 45.17000       57.52943 34.97362       26.67528 21.95810 10.34525 21.40805 8.510427 0.5500507      13.39595 
1 1 1 -25 36 9  o 21.64745 8.796347 37.26091       29.17146 -117.8000      56.66790 93.16658       34.02623 14.43047 7.343313 33.09030 9.806560 -18.65983      12.25124 
1 1 1 -25 36 10 o 19.86908 8.550779 27.58641       30.06858 -43.80000      55.56212 57.15167       35.75707 16.72869 8.347948 24.52093 9.818074 -7.792240      12.88731 
1 1 1 -25 36 11 o 17.13509 7.703796 11.42828       27.01602 -17.80000      56.56594 20.06556       30.74977 17.91285 8.848882 18.70586 8.327824 -0.7930126     12.15135 
1 1 1 -25 36 12 o 27.19097 8.399007 57.15038       24.59985 -0.2481000     56.45716 70.60172       27.33076 18.70373 9.159599 29.91762 8.768634 -11.21389      12.68019 
1 1 1 -25 36 13 o 11.67882 5.742033 -29.40792      22.88471 -106.9000      55.32253 -13.41052      25.13611 14.38515 7.313934 13.70757 6.565107 0.6775770      9.828238 
1 1 1 -25 36 14 o 13.93236 6.662946 -12.47665      25.68453 0.000000       0.000000 -12.47665      25.68453 ?        ?        13.93236 6.662946 ?              ?        
1 1 1 -25 36 15 o 13.33588 6.474943 -20.91467      26.54684 -74.24000      55.38470 -5.009254      30.24792 15.36308 7.755474 15.54272 7.375721 -0.1796312     10.70274 
1 1 1 -25 37 1  o 61.38086 5.400447 222.4706       32.11609 0.000000       0.000000 222.4706       32.11609 ?        ?        61.38086 5.400447 ?              ?        
1 1 1 -25 37 2  o 43.26399 7.011968 123.2113       28.67872 0.000000       0.000000 123.2113       28.67872 ?        ?        43.26399 7.011968 ?              ?        
1 1 1 -25 37 3  o 19.73595 7.973004 28.12112       23.80690 51.65000       56.68781 23.08269       26.23234 21.85897 10.28950 18.77633 8.031812 3.082645       13.05311 
1 1 1 -25 37 4  o 21.27517 8.554780 36.43913       27.26863 -44.81000      56.78551 60.79008       31.08752 16.57679 8.297270 25.84694 9.441216 -9.270149      12.56906 
1 1 1 -25 37 5  o 16.05441 7.225249 8.125143       23.83180 -43.75000      55.96966 19.61316       26.33877 16.51303 8.261226 18.14984 7.905989 -1.636806      11.43471 
1 1 1 -25 37 6  o 12.63576 6.123103 -19.81429      23.44098 5.231000       54.02686 -25.62240      26.01742 18.67140 9.104036 12.80588 6.259991 5.865514       11.04857 
1 1 1 -25 37 7  o 14.20020 6.809741 -12.89362      27.23607 -17.73000      55.45948 -11.35646      31.26615 17.58960 8.702449 15.11912 7.262374 2.470476       11.33467 
1 1 1 -25 37 8  o 13.37475 6.512400 -22.72400      27.37915 26.20000       55.68031 -38.32558      31.44308 20.02747 9.638408 13.18063 6.526761 6.846833       11.64034 
1 1 1 -25 37 9  o 21.41221 8.648817 37.61293       28.00889 79.51000       56.01683 23.64660       32.34206 24.16584 10.95711 19.05510 8.508228 5.110746       13.87257 
1 1 1 -25 37 10 o 15.65571 7.308248 1.138747       27.60110 -9.246000      53.77330 4.853422       32.16097 17.73368 8.735137 16.70057 7.826105 1.033115       11.72819 
1 1 1 -24 0  1  f 19.50687 8.475020 27.10086       16.74202 27.10086       16.74202 27.10086       16.74202 19.50687 8.475020 19.50687 8.475020 0.000000       0.000000 
1 1 1 -24 0  2  o 70.30490 3.990517 245.4620       27.25732 245.4620       27.25732 245.4620       27.25732 70.30490 3.990517 70.30490 3.990517 -0.000000      0.000000 
1 1 1 -24 0  3  o 77.33081 4.080824 296.6739       30.69157 296.6739       30.69157 296.6739       30.69157 77.33081 4.080824 77.33081 4.080824 -0.000000      0.000000 
1 1 1 -24 0  4  o 63.24239 4.216420 199.4636       25.83082 199.4636       25.83082 199.4636       25.83082 63.24239 4.216420 63.24239 4.216420 -0.000000      0.000000 
1 1 1 -24 0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  6  o 153.0625 4.994819 1159.935       74.65259 1159.935       74.65259 1159.935       74.65259 153.0625 4.994819 153.0625 4.994819 0.000000       0.000000 
1 1 1 -24 0  7  o 11.24863 7.071906 3.361359       16.31204 3.361359       16.31204 3.361359       16.31204 11.24863 7.071906 11.24863 7.071906 -0.000000      0.000000 
1 1 1 -24 0  8  o 60.02628 4.348998 180.2652       25.23812 180.2652       25.23812 180.2652       25.23812 60.02628 4.348998 60.02628 4.348998 -0.000000      0.000000 
1 1 1 -24 0  9  o 46.96278 4.965424 112.4385       22.18498 112.4385       22.18498 112.4385       22.18498 46.96278 4.965424 46.96278 4.965424 0.000000       0.000000 
1 1 1 -24 0  10 o 27.17717 8.131770 45.31489       18.83705 45.31489       18.83705 45.31489       18.83705 27.17717 8.131770 27.17717 8.131770 0.000000       0.000000 
1 1 1 -24 0  11 o 107.9308 4.336590 577.1013       45.64578 577.1013       45.64578 577.1013       45.64578 107.9308 4.336590 107.9308 4.336590 -0.000000      0.000000 
1 1 1 -24 0  12 o 47.63273 4.942413 115.6401       22.42477 115.6401       22.42477 115.6401       22.42477 47.63273 4.942413 47.63273 4.942413 -0.000000      0.000000 
1 1 1 -24 0  13 o 70.26666 4.252877 246.1214       29.00293 246.1214       29.00293 246.1214       29.00293 70.26666 4.252877 70.26666 4.252877 -0.000000      0.000000 
1 1 1 -24 0  14 o 84.94669 4.197400 358.5002       34.70536 358.5002       34.70536 358.5002       34.70536 84.94669 4.197400 84.94669 4.197400 -0.000000      0.000000 
1 1 1 -24 0  15 o 18.33513 8.675074 24.86880       17.63455 24.86880       17.63455 24.86880       17.63455 18.33513 8.675074 18.33513 8.675074 -0.000000      0.000000 
1 1 1 -24 0  16 o 31.13194 7.570673 56.07655       19.98921 56.07655       19.98921 56.07655       19.98921 31.13194 7.570673 31.13194 7.570673 0.000000       0.000000 
1 1 1 -24 0  17 o 17.16450 10.73758 11.59000       37.10941 11.59000       37.10941 11.59000       37.10941 17.16450 10.73758 17.16450 10.73758 0.000000       0.000000 
1 1 1 -24 0  18 o 16.52732 10.48080 8.010000       36.70628 8.010000       36.70628 8.010000       36.70628 16.52732 10.48080 16.52732 10.48080 0.000000       0.000000 
1 1 1 -24 0  19 o 14.43325 9.669082 -10.38000      38.06837 -10.38000      38.06837 -10.38000      38.06837 14.43325 9.669082 14.43325 9.669082 -0.000000      0.000000 
1 1 1 -24 0  20 o 18.55281 11.32748 18.92000       38.94942 18.92000       38.94942 18.92000       38.94942 18.55281 11.32748 18.55281 11.32748 -0.000000      0.000000 
1 1 1 -24 0  21 o 15.74043 8.815913 17.59094       20.40584 17.59094       20.40584 17.59094       20.40584 15.74043 8.815913 15.74043 8.815913 0.000000       0.000000 
1 1 1 -24 0  22 o 35.00793 7.795322 70.00298       23.33959 70.00298       23.33959 70.00298       23.33959 35.00793 7.795322 35.00793 7.795322 0.000000       0.000000 
1 1 1 -24 0  23 o 53.82975 6.520924 151.8000       33.01892 151.8000       33.01892 151.8000       33.01892 53.82975 6.520924 53.82975 6.520924 -0.000000      0.000000 
1 1 1 -24 0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 0  25 o 11.69411 7.907489 -10.47000      26.60027 -10.47000      26.60027 -10.47000      26.60027 11.69411 7.907489 11.69411 7.907489 0.000000       0.000000 
1 1 1 -24 0  26 o 127.1758 6.630578 825.3000       82.02430 825.3000       82.02430 825.3000       82.02430 127.1758 6.630578 127.1758 6.630578 0.000000       0.000000 
1 1 1 -24 0  27 o 28.83935 10.06083 56.03348       25.67728 56.03348       25.67728 56.03348       25.67728 28.83935 10.06083 28.83935 10.06083 0.000000       0.000000 
1 1 1 -24 0  28 o 22.82287 10.23657 39.63765       24.39686 39.63765       24.39686 39.63765       24.39686 22.82287 10.23657 22.82287 10.23657 -0.000000      0.000000 
1 1 1 -24 0  29 o 15.84564 9.182423 17.65966       23.21552 17.65966       23.21552 17.65966       23.21552 15.84564 9.182423 15.84564 9.182423 -0.000000      0.000000 
1 1 1 -24 0  30 o 48.55259 6.462883 126.0303       29.19483 126.0303       29.19483 126.0303       29.19483 48.55259 6.462883 48.55259 6.462883 0.000000       0.000000 
1 1 1 -24 0  31 o 10.08324 7.011781 -18.80821      24.53126 -18.80821      24.53126 -18.80821      24.53126 10.08324 7.011781 10.08324 7.011781 0.000000       0.000000 
1 1 1 -24 0  32 o 14.01069 8.928782 6.755669       27.02917 6.755669       27.02917 6.755669       27.02917 14.01069 8.928782 14.01069 8.928782 -0.000000      0.000000 
1 1 1 -24 0  33 o 28.54943 11.18917 60.67762       29.92168 60.67762       29.92168 60.67762       29.92168 28.54943 11.18917 28.54943 11.18917 -0.000000      0.000000 
1 1 1 -24 0  34 o 11.89219 8.094664 -10.96306      28.82236 -10.96306      28.82236 -10.96306      28.82236 11.89219 8.094664 11.89219 8.094664 0.000000       0.000000 
1 1 1 -24 0  35 o 18.03411 10.48919 25.80705       30.47031 25.80705       30.47031 25.80705       30.47031 18.03411 10.48919 18.03411 10.48919 0.000000       0.000000 
1 1 1 -24 0  36 o 21.46628 11.30745 39.97924       31.57018 39.97924       31.57018 39.97924       31.57018 21.46628 11.30745 21.46628 11.30745 -0.000000      0.000000 
1 1 1 -24 0  37 o 31.38876 11.39921 72.23591       32.18828 72.23591       32.18828 72.23591       32.18828 31.38876 11.39921 31.38876 11.39921 0.000000       0.000000 
1 1 1 -24 0  38 o 14.75401 9.491119 8.184803       31.44309 8.184803       31.44309 8.184803       31.44309 14.75401 9.491119 14.75401 9.491119 -0.000000      0.000000 
1 1 1 -24 0  39 o 38.01388 10.78726 95.95702       34.76362 95.95702       34.76362 95.95702       34.76362 38.01388 10.78726 38.01388 10.78726 -0.000000      0.000000 
1 1 1 -24 0  40 o 17.85981 10.70753 25.82823       33.50622 25.82823       33.50622 25.82823       33.50622 17.85981 10.70753 17.85981 10.70753 -0.000000      0.000000 
1 1 1 -24 0  41 o 9.738722 7.011214 -48.37561      33.04330 -48.37561      33.04330 -48.37561      33.04330 9.738722 7.011214 9.738722 7.011214 -0.000000      0.000000 
1 1 1 -24 0  42 o 26.36371 14.26993 73.95000       51.49130 73.95000       51.49130 73.95000       51.49130 26.36371 14.26993 26.36371 14.26993 0.000000       0.000000 
1 1 1 -24 0  43 o 17.72191 10.74092 25.65009       34.46832 25.65009       34.46832 25.65009       34.46832 17.72191 10.74092 17.72191 10.74092 -0.000000      0.000000 
1 1 1 -24 0  44 o 16.72312 11.09207 9.974000       47.99784 9.974000       47.99784 9.974000       47.99784 16.72312 11.09207 16.72312 11.09207 -0.000000      0.000000 
1 1 1 -24 0  45 o 12.61028 8.940670 -39.17000      46.18752 -39.17000      46.18752 -39.17000      46.18752 12.61028 8.940670 12.61028 8.940670 0.000000       0.000000 
1 1 1 -24 0  46 o 11.39544 8.003226 -25.73967      34.28265 -25.73967      34.28265 -25.73967      34.28265 11.39544 8.003226 11.39544 8.003226 -0.000000      0.000000 
1 1 1 -24 0  47 o 29.59044 12.56394 75.27417       36.90116 75.27417       36.90116 75.27417       36.90116 29.59044 12.56394 29.59044 12.56394 0.000000       0.000000 
1 1 1 -24 0  48 o 34.85706 12.52929 95.19735       39.11243 95.19735       39.11243 95.19735       39.11243 34.85706 12.52929 34.85706 12.52929 0.000000       0.000000 
1 1 1 -24 0  49 o 41.31617 11.68948 120.2572       40.93516 120.2572       40.93516 120.2572       40.93516 41.31617 11.68948 41.31617 11.68948 -0.000000      0.000000 
1 1 1 -24 0  50 o 31.90030 12.99344 88.51426       39.83531 88.51426       39.83531 88.51426       39.83531 31.90030 12.99344 31.90030 12.99344 0.000000       0.000000 
1 1 1 -24 0  51 o 17.11396 11.44982 16.23000       53.06783 16.23000       53.06783 16.23000       53.06783 17.11396 11.44982 17.11396 11.44982 -0.000000      0.000000 
1 1 1 -24 1  1  o 102.3340 4.025351 518.6732       40.24221 490.2000       56.03469 549.0000       57.82992 98.84388 5.817352 104.6876 5.664634 -5.843727      8.119708 
1 1 1 -24 1  2  o 63.10151 3.857065 197.4648       23.70955 204.4000       34.13473 191.0000       32.95700 63.77356 5.522644 61.63305 5.521391 2.140518       7.809312 
1 1 1 -24 1  3  o 124.5159 3.135603 764.1407       38.18620 751.0338       54.04094 777.2114       53.96603 122.9894 4.496561 125.1502 4.412275 -2.160797      6.299780 
1 1 1 -24 1  4  o 45.13908 3.377928 101.0178       14.81659 88.07320       21.10792 113.5912       20.80305 41.72511 5.286726 47.65294 4.513771 -5.927822      6.951517 
1 1 1 -24 1  5  o 61.62341 2.957299 187.3623       17.78598 184.9911       25.27806 189.6871       25.03011 60.96739 4.262701 61.76303 4.164610 -0.7956467     5.959412 
1 1 1 -24 1  6  o 76.83681 2.897087 291.0034       21.74996 278.8519       30.68090 303.2796       30.83788 74.92014 4.200548 78.18412 4.043316 -3.263985      5.830353 
1 1 1 -24 1  7  o 99.29543 2.975401 485.9457       28.88622 486.7920       41.17173 485.1252       40.53822 99.02010 4.257803 98.86957 4.198416 0.1505356      5.979598 
1 1 1 -24 1  8  o 79.79944 2.933128 313.9899       22.87165 314.9073       32.49002 313.0886       32.20269 79.61164 4.184027 79.38799 4.158609 0.2236557      5.899162 
1 1 1 -24 1  9  o 86.12394 2.952887 365.7719       24.85616 361.1973       35.33597 370.2525       34.97072 85.24030 4.248511 86.33501 4.150356 -1.094711      5.939301 
1 1 1 -24 1  10 o 24.57144 5.381447 31.32795       12.58389 24.67227       17.44173 38.55378       18.17344 22.19038 7.102772 27.07154 6.853045 -4.881163      9.869833 
1 1 1 -24 1  11 o 127.4314 3.253393 801.9536       40.54750 775.3434       56.83694 829.5328       57.86245 124.7078 4.664412 129.0356 4.588522 -4.327827      6.543033 
1 1 1 -24 1  12 o 104.2231 3.055187 536.1606       31.13428 520.7161       44.07875 551.5379       43.98246 102.2398 4.414973 105.2838 4.276779 -3.043999      6.146774 
1 1 1 -24 1  13 o 57.41120 3.177200 163.1902       17.78486 140.5496       24.97297 186.4904       25.33410 52.84149 4.883466 61.11446 4.261723 -8.272968      6.481552 
1 1 1 -24 1  14 o 19.68455 5.904710 19.81494       12.27819 10.27707       16.98156 30.26310       17.77345 17.54631 6.846440 24.07674 7.075118 -6.530428      9.845356 
1 1 1 -24 1  15 o 32.50412 4.466773 53.60952       13.83603 69.84321       19.41742 36.86546       19.72029 36.86707 5.552986 26.36576 7.361143 10.50131       9.220742 
1 1 1 -24 1  16 o 29.94878 4.928813 46.05984       13.94647 49.53513       18.94682 41.95012       20.60378 30.63187 6.519423 28.00651 7.404410 2.625362       9.865503 
1 1 1 -24 1  17 o 22.25572 6.907912 25.57417       16.61749 30.88157       18.62371 4.845000       36.80583 24.23969 7.272427 22.16714 9.498717 2.072554       11.96302 
1 1 1 -24 1  18 o 49.13426 6.501221 125.4659       30.50043 107.9000       44.22462 141.4000       42.12051 43.61650 10.48807 51.09761 8.735055 -7.481102      13.64921 
1 1 1 -24 1  19 o 27.25687 9.075995 38.98907       28.34339 74.66000       42.03106 9.240000       38.38396 36.14349 10.94328 23.10554 9.793635 13.03794       14.68573 
1 1 1 -24 1  20 o 16.33296 6.732145 5.469224       17.39369 5.909000       38.96181 5.359762       19.43822 22.70074 9.750954 17.04150 7.078990 5.659235       12.04961 
1 1 1 -24 1  21 o 20.13967 7.271297 18.58500       18.36707 4.357000       40.38529 22.29536       20.62335 22.74194 9.848795 21.65991 7.718767 1.082022       12.51312 
1 1 1 -24 1  22 o 26.01386 6.635248 36.33513       16.94656 19.03918       22.27946 60.08000       26.10461 21.07511 7.936710 33.01450 8.132227 -11.93939      11.36330 
1 1 1 -24 1  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 1  24 o 49.22344 4.411091 122.7638       21.02811 163.7000       33.71675 96.70522       26.90090 56.00032 6.257900 42.71311 6.650713 13.28720       9.131993 
1 1 1 -24 1  25 o 54.33538 6.701946 156.1000       34.88970 156.1000       34.88970 0.000000       0.000000 54.33538 6.701946 ?        ?        ?              ?        
1 1 1 -24 1  26 o 28.41207 6.886034 44.01746       18.94813 67.43930       24.61635 9.963000       29.68248 35.07874 7.402267 20.73108 8.689714 14.34765       11.41511 
1 1 1 -24 1  27 o 48.92775 4.194302 121.4015       19.89367 127.3573       27.62540 114.9861       28.67157 49.34700 5.831833 46.52303 6.471107 2.823978       8.711228 
1 1 1 -24 1  28 o 86.06718 3.739222 372.4515       31.42589 408.8000       51.22054 350.5088       39.79658 88.41013 5.953542 82.67362 4.940353 5.736504       7.736392 
1 1 1 -24 1  29 o 50.01247 4.198644 127.4684       20.36429 112.1038       27.63240 145.7337       30.12808 45.74790 6.341081 52.48469 5.970533 -6.736786      8.709568 
1 1 1 -24 1  30 o 35.35265 5.635815 66.59535       18.84797 51.02606       25.47759 85.41691       28.01249 29.58720 8.404583 38.94061 7.622222 -9.353405      11.34616 
1 1 1 -24 1  31 o 42.99542 4.836164 96.40861       20.00050 104.9438       27.70904 87.12503       28.89840 43.72949 6.685538 39.00060 7.842141 4.728889       10.30512 
1 1 1 -24 1  32 o 16.48669 6.873113 6.758315       18.41879 -4.114526      24.89759 19.90205       27.37444 16.53620 7.418197 21.41560 8.585110 -4.879398      11.34609 
1 1 1 -24 1  33 o 17.23877 7.125733 8.770722       19.56149 -5.050812      26.43345 25.50355       29.08442 16.81519 7.584808 22.74470 8.934805 -5.929512      11.72007 
1 1 1 -24 1  34 o 22.48684 7.711331 28.35519       20.46461 18.22542       27.97950 40.00834       30.00970 20.99620 8.583457 25.88785 9.301122 -4.891642      12.65648 
1 1 1 -24 1  35 o 38.77185 6.920458 85.09966       25.30015 69.60905       30.66863 118.1000       44.76300 33.29707 9.135599 41.86497 10.83924 -8.567902      14.17563 
1 1 1 -24 1  36 o 25.00954 7.983246 37.11898       22.04554 45.12503       30.60857 28.48919       31.77855 26.90583 9.420015 23.35308 9.287183 3.552748       13.22832 
1 1 1 -24 1  37 o 50.51035 5.815305 139.0600       28.22732 185.7000       47.30996 113.2791       35.17404 54.70903 9.158014 43.01159 8.654722 11.69744       12.60053 
1 1 1 -24 1  38 o 19.63382 7.803981 17.78249       22.42736 -1.289745      32.09354 35.98538       31.35356 18.43392 8.332246 24.54379 9.375160 -6.109867      12.54272 
1 1 1 -24 1  39 o 23.45129 8.141243 32.80685       22.83575 56.13194       32.99309 11.35745       31.63872 28.91356 9.793705 20.03421 8.696510 8.879354       13.09756 
1 1 1 -24 1  40 o 20.59091 8.031296 22.15840       23.36056 14.77948       32.98405 29.58473       33.08984 20.60314 8.911629 23.07153 9.370914 -2.468390      12.93179 
1 1 1 -24 1  41 o 14.79510 7.005479 -18.90411      26.99861 -28.97832      32.37655 4.093000       48.91720 15.33613 7.372710 21.44582 9.913972 -6.109693      12.35491 
1 1 1 -24 1  42 o 21.61130 8.324162 26.86570       24.85825 34.72997       36.02319 19.71649       34.34648 23.81517 9.738069 21.25746 9.143438 2.557703       13.35786 
1 1 1 -24 1  43 o 16.61575 7.838944 -16.66984      33.23547 0.000000       0.000000 -16.66984      33.23547 ?        ?        16.61575 7.838944 ?              ?        
1 1 1 -24 1  44 o 19.19098 8.274593 12.77587       28.26037 62.69000       49.56230 -11.27075      34.40065 27.97870 11.42932 17.32808 8.111734 10.65061       14.01533 
1 1 1 -24 1  45 o 16.14000 7.510272 -9.856288      28.77872 3.967907       35.59724 -35.94000      48.89687 19.18723 8.713532 18.10631 8.790301 1.080914       12.37720 
1 1 1 -24 1  46 o 26.16966 9.165591 46.82704       28.97914 50.97037       35.88562 39.06000       49.13299 26.56786 10.05772 24.69223 10.77622 1.875624       14.74058 
1 1 1 -24 1  47 f 24.56201 8.655917 39.95374       25.87346 68.07966       36.62364 11.92911       36.55764 29.90959 10.31372 20.17316 9.023887 9.736431       13.70414 
1 1 1 -24 1  48 o 19.72666 8.224337 18.46653       26.37521 -6.916056      37.68137 42.84741       36.93034 18.23052 8.519695 24.78463 9.959214 -6.554110      13.10615 
1 1 1 -24 1  49 o 37.61539 7.910699 89.93649       28.20127 88.50487       40.12806 91.33361       39.64162 33.19057 10.78685 33.96749 10.68846 -0.7769203     15.18550 
1 1 1 -24 1  50 o 29.42612 8.955200 61.46366       28.09727 35.32486       39.64624 87.83929       39.82545 23.04293 9.865881 32.65715 10.75419 -9.614220      14.59411 
1 1 1 -24 1  51 o 33.63685 9.630932 84.90646       33.32487 85.14000       59.81133 84.80132       40.13108 28.04739 12.06497 31.42218 10.79783 -3.374796      16.19125 
1 1 1 -24 2  1  o 91.12582 2.869845 408.9959       25.56609 390.5685       36.55868 426.6331       35.76617 88.71922 4.221964 92.81255 3.945951 -4.093330      5.778885 
1 1 1 -24 2  2  o 58.17680 2.968362 167.0269       16.84748 178.8321       24.86597 157.0091       22.90635 59.94540 4.265699 56.16534 4.196940 3.780067       5.984187 
1 1 1 -24 2  3  o 103.0044 2.944452 522.6545       29.65654 523.9139       42.63142 521.4734       41.28247 102.7697 4.247128 102.5700 4.120251 0.1996689      5.917311 
1 1 1 -24 2  4  o 67.05953 3.750342 222.8270       24.51906 228.7000       35.21357 217.3000       34.16077 67.51044 5.373142 65.80326 5.349751 1.707184       7.582249 
1 1 1 -24 2  5  o 123.2931 3.139730 749.4084       37.86029 743.1078       53.89576 755.5465       53.19617 122.3028 4.509789 123.3625 4.412566 -1.059647      6.309433 
1 1 1 -24 2  6  o 74.72971 2.891617 275.2935       21.11154 276.2867       30.23866 274.3490       29.48796 74.57993 4.158700 74.34074 4.067896 0.2391815      5.817437 
1 1 1 -24 2  7  o 13.92801 5.627008 4.444357       11.85882 7.097986       16.65831 1.717747       16.88582 16.65512 6.690099 15.42825 6.515532 1.226868       9.338607 
1 1 1 -24 2  8  o 27.87945 4.954282 39.81263       13.02447 30.92119       18.42395 48.69524       18.41481 24.44576 7.208720 30.56689 6.361971 -6.121122      9.614589 
1 1 1 -24 2  9  o 47.72180 3.315297 112.8998       15.38994 111.6291       21.82979 114.1554       21.70011 47.12395 4.799535 47.68194 4.710944 -0.5579872     6.725216 
1 1 1 -24 2  10 o 9.289191 4.397692 -12.38575      10.63083 -14.61091      14.72882 -9.965955      15.35952 11.27439 5.287445 12.35455 5.653877 -1.080161      7.741020 
1 1 1 -24 2  11 o 53.12170 3.227943 139.7646       16.70511 145.3878       24.00796 134.4868       23.25902 53.86222 4.597618 51.77835 4.638282 2.083874       6.530831 
1 1 1 -24 2  12 o 112.2804 3.105755 622.4071       34.10046 619.5291       48.53016 625.2140       47.92619 111.5100 4.455195 112.0552 4.377953 -0.5452271     6.246218 
1 1 1 -24 2  13 o 57.06741 3.226743 161.3204       17.95088 170.0562       25.69283 152.9892       25.09063 58.26205 4.541103 55.20100 4.687937 3.061047       6.526743 
1 1 1 -24 2  14 o 62.05777 3.190915 190.7198       19.31777 181.2522       27.33145 200.1707       27.30747 60.08614 4.684084 63.23964 4.439703 -3.153496      6.453806 
1 1 1 -24 2  15 o 11.38150 5.132850 -5.809072      12.09873 -8.808951      16.12737 -1.947409      18.29780 12.89322 5.859065 15.15425 6.595509 -2.261035      8.822096 
1 1 1 -24 2  16 o 22.84381 6.782113 27.22903       16.26287 28.90624       18.13224 20.33000       36.77497 23.56213 7.198605 24.71083 9.935225 -1.148703      12.26901 
1 1 1 -24 2  17 o 51.94737 4.177585 135.3568       21.06301 142.0451       24.19174 114.4000       42.82244 53.05296 4.707370 45.29258 9.933161 7.760376       10.99213 
1 1 1 -24 2  18 o 68.95428 3.759609 237.0198       25.27924 250.2611       29.89581 203.8000       47.35254 70.64680 4.344272 61.97081 7.992290 8.675991       9.096670 
1 1 1 -24 2  19 o 17.73375 6.959801 10.59801       17.63328 15.47000       40.80415 9.479239       19.55334 24.56742 10.23499 18.05576 7.249732 6.511658       12.54248 
1 1 1 -24 2  20 o 10.95353 5.292331 -26.01060      17.19003 59.34000       41.15573 -44.04745      18.91940 32.65105 10.93793 10.08061 5.004045 22.57044       12.02825 
1 1 1 -24 2  21 o 50.39997 4.836901 129.0947       23.56926 102.0000       46.89653 138.2513       27.26249 41.62673 11.24594 51.92231 5.445111 -10.29557      12.49481 
1 1 1 -24 2  22 f 14.31965 6.503933 -9.609831      19.84127 0.000000       0.000000 -9.609831      19.84127 ?        ?        14.31965 6.503933 ?              ?        
1 1 1 -24 2  23 o 21.09183 6.765413 22.95989       15.81808 -0.1837000     23.62053 41.77842       21.29939 17.30393 7.512732 27.65217 7.623798 -10.34824      10.70343 
1 1 1 -24 2  24 o 46.62459 4.333710 110.1154       19.55152 100.9000       29.80482 117.0763       25.90381 43.32421 7.286650 47.53240 5.679883 -4.208191      9.238850 
1 1 1 -24 2  25 o 34.65184 5.282656 62.46045       17.35197 45.80664       23.96770 80.80371       25.15404 28.70891 8.150614 38.79719 6.875375 -10.08827      10.66317 
1 1 1 -24 2  26 o 46.57112 5.115299 111.7303       22.93475 107.8000       30.55785 116.8000       34.70596 44.66958 7.236178 46.08643 7.982530 -1.416847      10.77418 
1 1 1 -24 2  27 f 62.80497 5.082780 202.5626       30.97974 202.5626       30.97974 0.000000       0.000000 62.80497 5.082780 ?        ?        ?              ?        
1 1 1 -24 2  28 o 29.39508 6.389803 46.94775       17.85945 32.40038       23.79431 65.71738       27.02769 24.49907 8.316920 33.99163 8.215282 -9.492565      11.69025 
1 1 1 -24 2  29 o 18.10667 7.002791 13.28362       17.64477 39.47565       23.62368 -19.76556      26.53648 26.40833 8.242675 15.23943 7.130897 11.16889       10.89915 
1 1 1 -24 2  30 o 23.14568 7.197448 29.60419       18.03040 39.54050       24.33483 17.50989       26.84764 26.27641 8.387500 21.08354 8.484728 5.192873       11.93067 
1 1 1 -24 2  31 o 17.36189 6.926926 10.98491       17.73474 5.970553       23.78251 17.26610       26.61772 17.96240 7.664628 20.83986 8.426394 -2.877460      11.39081 
1 1 1 -24 2  32 o 27.94059 7.094649 44.51648       19.43560 56.91592       26.42077 29.89400       28.69162 30.84506 8.485912 23.73065 8.991065 7.114418       12.36325 
1 1 1 -24 2  33 o 33.01263 6.464514 60.60623       20.14139 78.31955       27.88215 41.27583       29.12707 36.54984 8.014765 26.31729 9.190950 10.23255       12.19467 
1 1 1 -24 2  34 o 20.36181 7.520047 21.22117       19.81043 14.08802       26.53606 30.20205       29.77524 19.92649 8.273689 23.67436 9.112522 -3.747869      12.30821 
1 1 1 -24 2  35 o 20.31561 7.614800 20.96427       20.45694 12.28598       27.33409 32.01424       30.84381 19.67528 8.298406 24.03238 9.268224 -4.357094      12.44040 
1 1 1 -24 2  36 o 41.29510 5.896508 93.16894       23.15814 71.42659       31.57850 118.4681       34.06363 33.49820 9.301137 44.77031 8.069912 -11.27211      12.31400 
1 1 1 -24 2  37 o 18.83258 7.560645 15.01319       21.26348 31.48036       29.60961 -2.522161      30.55487 23.58928 9.085218 17.97915 8.128048 5.610125       12.19042 
1 1 1 -24 2  38 o 17.44458 7.389352 8.234423       21.82740 -21.09779      31.08076 36.77917       30.66072 15.93826 7.537745 24.67093 9.306314 -8.732675      11.97602 
1 1 1 -24 2  39 o 27.62470 8.023002 46.98107       22.97265 55.56505       32.30584 38.20045       32.67376 28.82883 9.691176 24.92852 9.558436 3.900309       13.61186 
1 1 1 -24 2  40 o 16.71957 7.572837 -2.832054      26.67189 9.090694       32.59800 -26.98000      46.39198 19.69193 8.679913 18.65103 8.929040 1.040901       12.45266 
1 1 1 -24 2  41 o 13.68783 6.776346 -57.51076      33.82183 -122.6000      50.26902 -3.676000      45.71695 14.52482 7.339035 20.28978 9.449514 -5.764965      11.96473 
1 1 1 -24 2  42 o 21.80846 8.250213 27.90157       24.13647 12.39037       33.85404 43.93691       34.42128 20.12026 8.858023 25.47994 9.800252 -5.359688      13.21021 
1 1 1 -24 2  43 o 22.78437 9.394444 29.29725       33.88602 0.000000       0.000000 29.29725       33.88602 ?        ?        22.78437 9.394444 ?              ?        
1 1 1 -24 2  44 o 28.00566 9.223011 53.85888       29.29197 10.22000       54.43948 71.64114       34.75127 22.29601 10.35937 31.43988 10.02176 -9.143871      14.41361 
1 1 1 -24 2  45 o 30.07300 8.438616 59.16052       25.84646 63.77156       37.70905 55.07481       35.49606 29.05650 10.42786 27.47849 10.08021 1.578016       14.50348 
1 1 1 -24 2  46 o 34.66485 8.727078 79.21144       29.58755 76.22765       36.88048 84.60000       49.56194 31.90738 10.33896 31.24997 11.82223 0.6574097      15.70539 
1 1 1 -24 2  47 o 22.29590 8.899072 30.13969       29.28258 28.08324       36.93415 33.62000       48.04832 22.42055 9.558805 23.80337 10.51313 -1.382814      14.20904 
1 1 1 -24 2  48 o 18.66672 8.030479 12.50109       26.50266 -1.373817      38.43666 25.07630       36.59219 18.91182 8.758473 21.91198 9.431440 -3.000164      12.87101 
1 1 1 -24 2  49 f 37.65744 8.007169 90.69808       28.60519 112.5733       41.56630 71.01743       39.42619 38.16174 10.69894 29.59249 10.65734 8.569248       15.10120 
1 1 1 -24 2  50 o 14.08047 6.766263 -22.86574      27.20452 -9.358128      39.05417 -35.59821      37.91704 17.88766 8.456625 15.63315 7.623549 2.254505       11.38565 
1 1 1 -24 2  51 o 43.83896 6.993666 117.8101       29.00268 82.59399       41.31353 152.0296       40.72477 30.66301 10.92507 46.55118 9.263554 -15.88817      14.32378 
1 1 1 -24 3  1  o 53.75359 4.095912 143.7968       21.38858 115.8000       30.97855 169.3000       29.56684 47.45853 6.868140 58.05670 5.259928 -10.59817      8.650907 
1 1 1 -24 3  2  o 132.7778 3.235901 868.8842       42.05591 829.6204       59.15207 909.0201       59.80539 129.1697 4.686229 135.2894 4.522527 -6.119720      6.512603 
1 1 1 -24 3  3  o 38.55642 4.681294 74.85831       17.30571 72.70000       25.46695 76.71000       23.58877 37.31010 7.234562 38.56902 6.477683 -1.258919      9.710781 
1 1 1 -24 3  4  o 136.3275 3.290559 916.2845       43.90958 948.9287       64.01591 887.2800       60.34187 138.1145 4.742279 133.6022 4.621183 4.512314       6.621521 
1 1 1 -24 3  5  o 56.61310 3.033954 158.2984       16.75109 148.0246       24.38445 167.4792       23.05098 54.40917 4.622333 58.02674 4.084496 -3.617577      6.168392 
1 1 1 -24 3  6  o 99.12611 2.962101 484.2824       28.70825 426.3674       39.79938 547.1013       41.45011 92.60852 4.403163 105.0547 4.038438 -12.44621      5.974682 
1 1 1 -24 3  7  o 107.5514 3.042131 570.3274       31.99364 569.4774       45.97204 571.1257       44.55299 107.0428 4.396990 107.2507 4.252379 -0.2079315     6.116882 
1 1 1 -24 3  8  o 15.29325 5.714416 9.016350       11.50191 -6.417090      15.92220 25.85939       16.63343 13.28355 5.947696 22.52308 6.897266 -9.239525      9.107544 
1 1 1 -24 3  9  o 20.33935 5.824125 21.28303       12.18635 17.93797       17.59840 24.36476       16.89153 20.02830 7.131005 22.01512 6.983504 -1.986814      9.981010 
1 1 1 -24 3  10 o 72.08840 2.948093 256.5004       20.75848 252.6597       29.89187 260.0779       28.84971 71.20555 4.308939 72.30952 4.092761 -1.103973      5.942865 
1 1 1 -24 3  11 o 79.63922 2.962963 313.0539       23.05694 283.5174       32.28934 343.7836       32.93511 75.39764 4.394216 83.15918 4.058413 -7.761536      5.981627 
1 1 1 -24 3  12 o 77.89807 2.989456 299.6472       22.75193 286.3339       32.14226 313.0166       32.21003 75.76770 4.352284 79.29159 4.164694 -3.523888      6.023874 
1 1 1 -24 3  13 o 20.44494 5.898810 21.57911       12.45605 21.39348       17.14047 21.78686       18.13236 20.98447 7.059102 21.28666 7.259716 -0.3021889     10.12593 
1 1 1 -24 3  14 o 21.49995 6.016822 24.07042       13.15860 29.93894       17.75080 16.91167       19.60522 23.94645 7.079533 20.12365 7.472001 3.822798       10.29323 
1 1 1 -24 3  15 o 17.98847 6.696632 13.18941       15.76691 12.59216       17.61215 15.60000       35.38307 18.35282 7.022540 23.63562 9.656306 -5.282797      11.93986 
1 1 1 -24 3  16 o 16.66684 6.569161 8.780971       15.76820 14.07837       17.52633 -13.72000      36.12104 18.72306 7.041863 19.52429 8.830956 -0.8012295     11.29485 
1 1 1 -24 3  17 o 23.27212 6.917589 28.39933       16.91098 32.84864       18.88789 10.42000       37.96856 24.90689 7.286600 23.26880 9.795303 1.638094       12.20830 
1 1 1 -24 3  18 o 48.66954 3.616246 118.2490       17.10436 116.9917       23.67556 119.6217       24.73784 47.94166 5.124618 48.41702 5.306689 -0.4753609     7.377172 
1 1 1 -24 3  19 o 7.782358 3.903215 -36.69796      12.87139 -31.36118      16.56900 -44.82000      20.44038 10.10562 4.951667 10.67909 5.283427 -0.5734720     7.241106 
1 1 1 -24 3  20 o 15.03303 6.515769 -0.8797858     17.70616 -27.51000      42.73113 4.640291       19.45493 19.74311 9.174856 16.87514 7.051572 2.867971       11.57163 
1 1 1 -24 3  21 o 37.44593 6.691681 74.39748       23.62686 0.000000       0.000000 74.39748       23.62686 ?        ?        37.44593 6.691681 ?              ?        
1 1 1 -24 3  22 o 41.24172 6.155672 89.07999       24.08991 0.000000       0.000000 89.07999       24.08991 ?        ?        41.24172 6.155672 ?              ?        
1 1 1 -24 3  23 o 48.03117 5.535142 119.0703       25.54770 0.000000       0.000000 119.0703       25.54770 ?        ?        48.03117 5.535142 ?              ?        
1 1 1 -24 3  24 o 55.50319 3.665865 154.3316       19.80441 133.0603       28.05227 175.4681       27.96327 50.66085 5.759146 58.67530 4.913942 -8.014450      7.570640 
1 1 1 -24 3  25 o 25.82494 6.500215 36.04279       16.41693 16.10650       22.35241 59.39261       24.19046 20.22397 7.865184 32.79908 7.672235 -12.57511      10.98746 
1 1 1 -24 3  26 o 70.43281 5.075996 254.0290       34.75999 328.7000       62.18834 220.1000       41.91974 77.42062 8.337561 64.46048 6.743500 12.96014       10.72332 
1 1 1 -24 3  27 o 28.15875 7.318601 43.86887       20.35455 49.61000       26.58795 35.74000       31.63740 29.54484 8.645700 26.15166 9.528679 3.393181       12.86638 
1 1 1 -24 3  28 o 23.51407 8.289137 28.91146       23.72858 28.91146       23.72858 0.000000       0.000000 23.51407 8.289137 ?        ?        ?              ?        
1 1 1 -24 3  29 o 61.44984 3.857265 191.0399       23.08395 213.8327       32.02591 166.3934       33.30279 64.23608 5.136258 55.92371 6.187206 8.312370       8.041309 
1 1 1 -24 3  30 o 54.62962 4.173191 152.4017       22.14639 181.2541       30.96005 122.1684       31.69224 58.77655 5.443177 47.08230 7.097178 11.69425       8.944167 
1 1 1 -24 3  31 o 34.07740 6.053360 63.18553       19.45182 73.33005       26.37082 51.07875       28.80861 35.69638 7.768491 29.08060 9.106225 6.615782       11.96966 
1 1 1 -24 3  32 o 13.98955 6.318293 -5.888450      18.41073 -22.66903      24.93699 14.21723       27.29606 14.16904 6.716000 20.27153 8.401879 -6.102489      10.75622 
1 1 1 -24 3  33 o 11.92817 5.694728 -20.69397      18.59236 -37.30045      25.28174 -1.134707      27.43750 12.84765 6.256247 17.64629 7.860662 -4.798647      10.04642 
1 1 1 -24 3  34 o 17.69489 7.178894 11.22848       19.39410 4.447776       26.52515 19.01718       28.42845 18.21009 7.933049 21.22007 8.660760 -3.009981      11.74487 
1 1 1 -24 3  35 o 39.76646 5.843193 86.17652       22.06657 80.36981       29.97460 93.04695       32.60472 36.33345 8.568459 39.02110 8.752528 -2.687653      12.24848 
1 1 1 -24 3  36 o 17.46338 7.288249 9.065417       20.74426 22.82086       28.06415 -7.502631      30.79997 21.75518 8.702320 17.50237 8.008428 4.252811       11.82647 
1 1 1 -24 3  37 o 57.48904 5.433051 177.7321       30.21012 93.99000       52.51231 219.1586       36.93415 34.62199 12.31907 63.22600 6.041343 -28.60400      13.72069 
1 1 1 -24 3  38 o 55.45908 4.645797 161.9276       24.98811 171.2242       34.68239 151.8927       36.03335 55.21483 6.544327 51.08299 7.423597 4.131840       9.896364 
1 1 1 -24 3  39 o 21.94305 8.440311 26.43806       25.53203 10.50215       30.79375 61.49000       45.66993 19.72063 8.569831 29.09703 11.26273 -9.376400      14.15242 
1 1 1 -24 3  40 o 22.69237 8.649423 30.13765       26.65059 59.75615       32.35178 -32.40000      47.00970 29.51754 9.691340 18.35496 8.839266 11.16257       13.11696 
1 1 1 -24 3  41 f 22.69960 8.170072 31.15732       23.16664 -5.370674      32.85078 67.29559       32.67506 17.77527 8.183833 31.13930 9.690060 -13.36403      12.68355 
1 1 1 -24 3  42 o 25.92484 8.873634 44.38192       27.09551 49.46000       43.86124 41.24808       34.45642 26.33700 10.75448 24.95374 9.747873 1.383265       14.51481 
1 1 1 -24 3  43 o 33.55488 7.897033 70.02331       25.50286 80.68174       37.04435 60.42043       35.16220 33.28850 10.31091 28.94506 10.09903 4.343435       14.43279 
1 1 1 -24 3  44 o 21.10467 8.678076 23.16281       28.81118 51.80000       54.64663 12.13804       33.90650 26.45638 11.45697 20.00702 8.834178 6.449354       14.46737 
1 1 1 -24 3  45 o 33.34397 9.028363 74.91105       30.18480 27.44000       55.19862 95.16229       36.05286 23.79798 10.82430 36.77586 9.827687 -12.97788      14.62015 
1 1 1 -24 3  46 f 20.97430 8.321098 24.53030       25.45226 11.19934       36.54755 37.08438       35.46666 20.18491 9.026361 23.95819 9.712409 -3.773283      13.25919 
1 1 1 -24 3  47 o 16.22528 7.544028 -8.663074      28.94911 -11.14792      36.48985 -4.443000      47.55345 17.61048 8.278938 20.00332 9.418515 -2.392843      12.53991 
1 1 1 -24 3  48 o 30.49065 8.695824 62.58598       27.21996 76.69472       39.32394 49.60742       37.71606 31.18266 10.68959 25.96349 10.18198 5.219166       14.76280 
1 1 1 -24 3  49 o 24.52085 9.400907 42.36867       31.60290 60.53108       40.34262 13.52000       50.84407 27.40703 10.59171 21.60350 10.02865 5.803524       14.58623 
1 1 1 -24 3  50 o 42.85582 7.253253 113.3022       29.34198 98.48203       42.12659 127.2668       40.89258 34.18940 11.04752 41.25803 10.18743 -7.068623      15.02769 
1 1 1 -24 3  51 o 22.58647 8.738752 34.91328       27.48510 -1.154505      39.07047 70.24948       38.67220 18.46095 8.642944 28.75158 10.52571 -10.29063      13.61951 
1 1 1 -24 4  1  o 134.7106 4.703776 902.6603       61.92807 915.3000       90.01130 891.3000       85.33475 134.4420 6.862700 132.8411 6.583282 1.600922       9.509797 
1 1 1 -24 4  2  o 31.24728 5.481929 50.11047       16.15571 48.16000       24.41381 51.63000       21.54872 30.17074 8.098202 31.33860 7.179300 -1.167866      10.82235 
1 1 1 -24 4  3  o 19.50253 6.437503 18.40309       14.26761 24.21000       21.85483 14.09000       18.83514 22.80916 7.961631 19.26106 7.287722 3.548100       10.79345 
1 1 1 -24 4  4  o 53.45245 3.998804 142.1543       20.77040 139.2000       30.52956 144.7000       28.34006 52.33991 6.071629 53.55389 5.483691 -1.213974      8.181415 
1 1 1 -24 4  5  o 107.1197 3.515821 567.0897       36.81406 652.8000       72.92837 537.7802       42.64649 113.5874 6.587606 104.0976 4.193982 9.489822       7.809356 
1 1 1 -24 4  6  o 61.27393 3.000345 185.3759       17.94034 170.6256       26.22842 198.3444       24.59338 58.42247 4.624237 63.17599 3.997539 -4.753529      6.112600 
1 1 1 -24 4  7  o 47.81263 3.239535 113.2517       15.07160 117.4403       22.08134 109.5984       20.62231 48.37108 4.723865 46.75264 4.564418 1.618439       6.568776 
1 1 1 -24 4  8  o 67.94940 2.958030 227.8891       19.62695 206.9150       28.18579 247.6328       27.34662 64.37903 4.501158 70.60308 3.973102 -6.224052      6.003829 
1 1 1 -24 4  9  o 53.96310 3.174531 144.1262       16.69398 139.3634       24.24421 148.4205       23.02097 52.69666 4.751199 54.50103 4.351430 -1.804379      6.442736 
1 1 1 -24 4  10 o 42.71727 3.633361 90.88783       15.04809 97.59910       21.63458 84.59781       20.94461 43.91357 5.129713 40.77590 5.378659 3.137672       7.432626 
1 1 1 -24 4  11 o 49.66477 3.381082 122.4130       16.33853 139.4646       23.85686 107.3507       22.42215 52.70995 4.672314 46.08947 5.052885 6.620476       6.882017 
1 1 1 -24 4  12 o 70.81904 2.990330 247.7816       20.68221 261.6853       29.98050 235.1566       28.56867 72.44228 4.246679 68.65173 4.272581 3.790543       6.024054 
1 1 1 -24 4  13 o 32.01954 4.741606 52.22810       14.41240 60.36233       20.03801 43.50994       20.74478 34.04009 6.243949 28.59062 7.366979 5.449474       9.657084 
1 1 1 -24 4  14 o 75.14218 3.653755 280.4808       26.79327 284.9230       32.15929 270.4000       48.44563 75.49809 4.370434 72.41647 6.918577 3.081619       8.183361 
1 1 1 -24 4  15 o 19.38629 6.786385 17.48814       15.88573 4.138982       17.57815 76.97000       37.10553 16.16005 6.723882 37.16501 9.987236 -21.00496      12.03975 
1 1 1 -24 4  16 o 55.24968 4.218014 153.0444       22.63854 160.0627       26.54044 134.3000       43.37389 56.29208 4.864439 49.55203 9.283584 6.740051       10.48083 
1 1 1 -24 4  17 o 41.02965 3.997210 84.58324       15.84989 90.63821       22.27331 78.37157       22.55968 42.00291 5.553439 38.80502 6.143711 3.197891       8.281659 
1 1 1 -24 4  18 o 21.37220 6.500118 23.69583       14.80631 25.62659       19.27987 20.92000       23.11722 22.53054 7.485021 21.85349 8.113811 0.6770496      11.03900 
1 1 1 -24 4  19 o 55.75178 4.430807 156.5890       23.98078 85.02000       50.08217 177.8795       27.31581 38.06587 12.01859 59.32203 4.743764 -21.25616      12.92091 
1 1 1 -24 4  20 o 85.85506 3.453265 366.7191       28.96110 385.0000       46.93441 355.4787       36.80309 86.87254 5.548539 84.05681 4.489348 2.815735       7.137264 
1 1 1 -24 4  21 o 52.44828 5.245569 140.6994       26.56868 0.000000       0.000000 140.6994       26.56868 ?        ?        52.44828 5.245569 ?              ?        
1 1 1 -24 4  22 o 47.00620 5.648524 114.2396       25.46934 0.000000       0.000000 114.2396       25.46934 ?        ?        47.00620 5.648524 ?              ?        
1 1 1 -24 4  23 o 58.40685 4.559506 172.7993       25.86039 136.4000       55.45844 182.9130       29.23316 47.39120 11.95757 59.88376 5.033795 -12.49256      12.97392 
1 1 1 -24 4  24 o 48.25850 5.158291 119.6206       23.98865 110.0000       52.68852 122.1363       26.94318 42.19923 12.11863 48.47855 5.792461 -6.279324      13.43182 
1 1 1 -24 4  25 o 40.29927 4.673948 83.17291       18.09534 60.31570       24.99039 108.3663       26.23641 32.95931 7.857539 45.44344 6.048350 -12.48412      9.915818 
1 1 1 -24 4  26 o 91.82031 3.996838 424.1212       35.83604 453.0553       43.72255 364.9000       62.55176 94.38551 4.747783 82.01529 7.889014 12.37022       9.207496 
1 1 1 -24 4  27 o 62.04353 4.067900 194.5989       24.56806 173.6453       30.70261 231.9000       40.96447 57.84269 5.488432 66.26469 6.395018 -8.421997      8.427285 
1 1 1 -24 4  28 o 47.75300 5.328205 118.8144       24.48123 117.7000       32.88352 120.2000       36.66825 46.20522 7.529846 46.06561 8.443234 0.1396141      11.31312 
1 1 1 -24 4  29 o 18.22889 7.731609 6.262789       23.94842 6.262789       23.94842 0.000000       0.000000 18.22889 7.731609 ?        ?        ?              ?        
1 1 1 -24 4  30 o 25.78537 7.198493 37.51255       18.85931 24.02343       24.97731 55.40169       28.76394 22.15218 8.389861 30.44812 9.014609 -8.295940      12.31474 
1 1 1 -24 4  31 o 42.04836 5.058522 92.97454       20.40226 95.41261       27.62812 90.05041       30.25706 41.31068 7.087642 39.35918 8.123163 1.951496       10.78056 
1 1 1 -24 4  32 o 42.01053 5.221307 93.40661       21.00859 99.45194       28.84060 86.57247       30.66449 41.97232 7.283987 38.25220 8.418520 3.720112       11.13229 
1 1 1 -24 4  33 o 37.12218 6.056327 75.34586       21.24837 93.25976       29.32188 55.53590       30.83462 40.14150 7.743218 29.77988 9.433980 10.36162       12.20481 
1 1 1 -24 4  34 o 29.69878 7.104019 50.78612       20.37332 44.36479       27.78111 58.25790       29.96741 26.95270 8.985786 30.45383 9.244444 -3.501127      12.89202 
1 1 1 -24 4  35 o 26.67924 7.544067 41.92249       20.57494 90.05675       29.00546 -6.826739      29.19016 39.15968 7.840884 17.21093 7.844969 21.94875       11.09157 
1 1 1 -24 4  36 o 16.32086 7.032314 4.013533       20.38500 13.32855       28.13074 -6.286992      29.58143 19.94073 8.414845 17.32312 7.896595 2.617609       11.53975 
1 1 1 -24 4  37 o 41.52668 5.709443 94.16716       22.59379 60.98876       30.67462 133.5138       33.40453 30.62412 9.364251 48.05796 7.333122 -17.43384      11.89386 
1 1 1 -24 4  38 o 37.05099 7.563306 81.39716       26.50035 88.80583       32.08343 65.49000       47.01177 37.49442 8.879760 29.82257 11.45767 7.671844       14.49581 
1 1 1 -24 4  39 o 27.73461 8.709478 49.09739       26.33419 39.70738       32.03425 68.67000       46.24936 25.15632 9.507354 30.22761 11.42373 -5.071289      14.86241 
1 1 1 -24 4  40 o 18.09615 7.547204 11.96255       22.22235 6.876756       31.41366 17.05709       31.44066 19.10654 8.466654 20.65176 8.812449 -1.545212      12.22062 
1 1 1 -24 4  41 o 28.61711 8.676553 53.51811       26.40949 97.25000       43.80916 28.55351       33.10001 35.54036 11.24323 22.67629 9.310495 12.86407       14.59779 
1 1 1 -24 4  42 o 31.42195 8.005363 62.13487       24.68772 105.7229       35.70902 22.22482       34.16926 39.81446 9.327238 21.61915 9.204840 18.19532       13.10444 
1 1 1 -24 4  43 o 24.38662 8.440479 37.94481       24.53701 24.91041       35.13604 50.35246       34.28091 22.12656 9.374025 26.78993 9.892666 -4.663370      13.62854 
1 1 1 -24 4  44 o 14.57167 6.800721 -11.79443      23.87954 -33.63614      34.75426 7.738692       32.86629 15.44191 7.476425 19.23819 8.584325 -3.796288      11.38365 
1 1 1 -24 4  45 o 29.91325 9.220870 61.73346       29.66788 54.62000       57.13144 64.35999       34.71564 26.63529 11.62232 29.61527 10.04598 -2.979984      15.36230 
1 1 1 -24 4  46 o 17.92892 8.051327 3.427310       29.41298 -12.87000      54.31605 10.18915       34.98667 20.38525 9.732634 19.81774 8.848969 0.5675144      13.15403 
1 1 1 -24 4  47 o 24.59377 8.685427 40.28025       26.06074 86.01144       36.99471 -4.768783      36.71775 33.90587 10.26693 18.27165 8.495731 15.63422       13.32619 
1 1 1 -24 4  48 o 34.44329 9.077432 81.07354       31.02931 85.04350       39.28624 74.49000       50.59150 32.99065 10.66929 29.07774 11.66617 3.912914       15.80928 
1 1 1 -24 4  49 o 30.23322 8.820778 63.21921       27.71185 88.09391       40.98901 42.27703       37.60966 32.74694 10.91472 24.32789 9.949246 8.419048       14.76884 
1 1 1 -24 4  50 o 36.78514 8.071436 88.40358       28.26223 89.80397       40.71544 87.10140       39.26184 32.66505 10.87800 32.49847 10.67661 0.1665764      15.24208 
1 1 1 -24 4  51 o 35.16676 9.436336 90.53631       33.15475 78.29388       40.02572 117.3000       59.18047 30.10396 10.75043 32.32735 12.73114 -2.223394      16.66294 
1 1 1 -24 5  1  o 53.35782 3.036339 140.6938       15.79277 116.8783       23.68042 159.7715       21.19448 48.17272 5.099394 56.71458 3.840527 -8.541862      6.383844 
1 1 1 -24 5  2  o 52.73052 3.057909 137.4359       15.71541 143.2505       24.45779 133.3470       20.50972 53.48213 4.720398 51.73743 4.083015 1.744701       6.241248 
1 1 1 -24 5  3  o 40.58366 3.988879 82.27999       15.64106 104.4193       21.95895 59.48000       22.28422 45.52452 5.010635 33.70335 6.984584 11.82117       8.595981 
1 1 1 -24 5  4  o 80.65788 2.883544 320.7093       22.72900 294.1697       33.24643 343.9981       31.14382 76.86149 4.437931 83.31292 3.829272 -6.451431      5.861618 
1 1 1 -24 5  5  o 68.35133 2.926452 230.4960       19.53387 227.7865       29.14000 232.7071       26.32423 67.59999 4.428273 68.45642 3.945289 -0.8564301     5.930844 
1 1 1 -24 5  6  o 40.63562 3.524399 82.15695       13.87991 96.24989       21.01007 71.24318       18.48903 43.67159 5.005329 37.44746 5.182915 6.224121       7.205271 
1 1 1 -24 5  7  o 51.04898 3.232961 129.0607       16.07153 97.13754       24.07052 154.7402       21.58863 43.64975 5.775324 55.75594 3.981953 -12.10619      7.015007 
1 1 1 -24 5  8  o 41.70538 3.527097 86.55083       14.26357 89.95110       21.25988 83.76736       19.23522 42.10822 5.273395 40.70607 4.927809 1.402149       7.217478 
1 1 1 -24 5  9  o 39.92252 3.704880 79.52026       14.31248 71.61795       20.64818 86.82846       19.85681 37.33387 5.841683 41.42367 4.998188 -4.089798      7.688118 
1 1 1 -24 5  10 o 47.91372 3.486369 114.0684       16.23894 120.1609       23.89286 108.8379       22.13806 48.78506 5.077731 46.44290 4.945826 2.342163       7.088339 
1 1 1 -24 5  11 o 16.96070 6.000896 12.82955       12.44512 15.55212       17.57142 10.08916       17.62883 19.25257 7.087241 17.72721 6.958416 1.525354       9.932197 
1 1 1 -24 5  12 o 45.97558 4.524652 106.2940       20.09836 112.6770       24.04396 91.49000       36.61699 47.11985 5.305187 40.95206 9.342128 6.167789       10.74339 
1 1 1 -24 5  13 o 25.73647 6.575423 34.98330       16.62313 27.96632       19.01996 57.68000       34.20707 23.37760 7.409794 32.55897 9.875360 -9.181374      12.34616 
1 1 1 -24 5  14 o 24.15279 6.727823 30.73157       16.49339 37.65268       18.66550 6.078000       35.22828 26.61622 7.052518 22.03361 9.362579 4.582605       11.72160 
1 1 1 -24 5  15 o 32.63239 5.812585 55.39473       17.88547 54.55207       20.73953 57.84000       35.32919 32.06972 6.817109 32.45542 10.07212 -0.3857002     12.16226 
1 1 1 -24 5  16 o 86.58875 3.092673 371.2047       26.17000 384.5467       37.74233 358.8503       36.31866 87.61619 4.415095 84.63821 4.398961 2.977974       6.232489 
1 1 1 -24 5  17 o 17.56005 7.227967 6.620427       20.01373 -50.51000      44.32549 21.25000       22.43033 18.31771 8.758227 21.81636 8.011395 -3.498655      11.86967 
1 1 1 -24 5  18 o 40.31410 5.318358 83.42851       20.47513 12.90000       48.78555 98.50794       22.55803 25.78344 10.98900 43.83838 5.368973 -18.05494      12.23046 
1 1 1 -24 5  19 o 19.09904 6.455518 17.81337       14.33445 14.06000       20.80717 21.20396       19.77605 19.52210 7.589511 21.22154 7.558972 -1.699444      10.71162 
1 1 1 -24 5  20 o 41.90335 4.219011 88.71313       17.06945 83.75000       24.97662 93.06271       23.38190 39.81156 6.643368 42.36788 5.789436 -2.556316      8.812032 
1 1 1 -24 5  21 o 12.20972 5.541257 -7.367500      14.36770 -11.57000      20.13645 -3.009078      20.50660 14.14050 6.472115 15.70456 6.904762 -1.564067      9.463826 
1 1 1 -24 5  22 o 26.53693 7.559445 38.29994       20.58235 32.53000       52.05133 39.36934       22.40869 28.60111 11.70162 26.87217 7.956858 1.728935       14.15060 
1 1 1 -24 5  23 o 42.37776 5.855117 93.65018       23.63908 114.7000       55.45607 88.97606       26.13215 42.98839 12.45962 40.88266 6.766758 2.105732       14.17854 
1 1 1 -24 5  24 o 89.68899 4.003957 403.9544       35.06215 434.3000       71.31329 394.2804       40.26498 89.46943 8.235435 88.19762 4.680825 1.271812       9.472724 
1 1 1 -24 5  25 o 27.13101 6.450675 39.79321       16.87852 31.72812       23.27025 48.74660       24.51829 24.47472 8.224993 29.51383 8.196009 -5.039114      11.61142 
1 1 1 -24 5  26 o 26.54725 6.581333 38.31586       17.01595 33.12200       23.66679 43.87383       24.48231 24.84460 8.293992 27.99364 8.323879 -3.149048      11.75063 
1 1 1 -24 5  27 o 43.28487 4.638331 96.19192       19.34578 95.95939       26.99920 96.43727       27.73372 42.17550 6.769036 42.17431 6.960845 0.1194000E-02  9.709439 
1 1 1 -24 5  28 o 51.85502 4.740618 138.3299       23.79613 162.6360       30.20917 98.59000       38.62733 55.73316 5.613981 40.56039 9.832724 15.17277       11.32251 
1 1 1 -24 5  29 o 40.32107 6.506478 88.25262       24.80542 64.49000       31.95189 124.3000       39.35376 32.71387 9.450345 46.07872 9.048348 -13.36485      13.08364 
1 1 1 -24 5  30 o 39.31989 7.456141 87.13866       27.64695 87.13866       27.64695 0.000000       0.000000 39.31989 7.456141 ?        ?        ?              ?        
1 1 1 -24 5  31 o 39.10846 5.472972 81.55526       20.37797 66.03101       27.25433 101.2374       30.68783 33.37330 8.361347 42.06385 7.738407 -8.690544      11.39276 
1 1 1 -24 5  32 o 24.31861 7.450543 33.88228       19.40619 17.41714       26.34777 53.40583       28.69066 20.66424 8.373353 29.51686 9.062157 -8.852619      12.33838 
1 1 1 -24 5  33 o 20.36259 7.425242 21.42717       19.21676 7.066177       25.98177 38.77128       28.55305 18.54432 7.964116 25.60277 9.086566 -7.058445      12.08275 
1 1 1 -24 5  34 o 28.90602 7.101934 48.22106       19.94742 59.37661       27.49564 35.82604       28.98290 31.07361 8.698028 24.81460 9.107654 6.259005       12.59385 
1 1 1 -24 5  35 o 39.26305 5.880844 84.21902       21.90639 87.33481       30.33361 80.82261       31.67021 38.07103 8.368563 36.01693 9.007422 2.054100       12.29498 
1 1 1 -24 5  36 o 27.33952 7.678029 44.59076       21.38782 20.34678       28.90719 73.91528       31.79211 21.34250 8.724758 34.00712 9.289743 -12.66462      12.74444 
1 1 1 -24 5  37 o 17.65868 7.638657 5.940714       24.23784 30.58948       28.84424 -53.28000      44.70935 23.29603 8.968399 16.81966 8.218663 6.476362       12.16465 
1 1 1 -24 5  38 o 26.02575 8.663740 42.49443       25.82735 62.06847       31.58804 3.018000       44.85919 30.54705 9.530906 21.20194 9.687458 9.345108       13.58989 
1 1 1 -24 5  39 o 20.88620 7.910314 23.70370       22.20348 23.62819       31.54554 23.77784       31.25737 21.91984 9.053677 21.91342 9.027742 0.6418228E-02  12.78551 
1 1 1 -24 5  40 o 27.14482 8.619158 47.73606       25.72532 48.00000       42.80006 47.58678       32.18862 26.37150 10.67714 26.53424 9.619617 -0.1627426     14.37144 
1 1 1 -24 5  41 o 14.21275 6.657199 -13.52133      23.22592 -0.7938991     34.19492 -24.42193      31.64582 18.53688 8.465260 15.50561 7.410030 3.031271       11.25030 
1 1 1 -24 5  42 o 11.09708 5.508615 -45.74599      22.92676 -54.21852      33.38976 -38.18799      31.53625 13.72273 6.782585 14.31491 6.974462 -0.5921793     9.728647 
1 1 1 -24 5  43 o 18.59241 7.804998 13.53423       24.00167 31.19343       34.93441 -2.254381      33.03237 23.06754 9.527637 18.04247 8.269788 5.025070       12.61607 
1 1 1 -24 5  44 o 15.92752 7.189959 -1.599238      23.80617 -9.053534      34.35606 5.285652       33.01783 17.53273 8.174226 18.92784 8.512644 -1.395109      11.80183 
1 1 1 -24 5  45 o 14.93873 6.932659 -9.558626      24.26892 -25.99904      35.16871 5.387699       33.53260 16.10746 7.727997 18.98844 8.555947 -2.880980      11.52936 
1 1 1 -24 5  46 o 15.22350 7.222412 -18.57062      28.96778 -23.45000      54.29369 -16.62889      34.24996 19.65890 9.475322 16.69785 7.901666 2.961056       12.33767 
1 1 1 -24 5  47 o 20.54575 9.119206 15.24134       36.58953 -18.00000      56.09367 39.86000       48.27328 20.08495 9.668119 24.48155 10.68295 -4.396599      14.40826 
1 1 1 -24 5  48 o 13.77577 6.845711 -60.98425      35.78363 -2.428000      55.24826 -103.3000      46.96594 20.97638 9.958278 14.31032 7.213816 6.666053       12.29660 
1 1 1 -24 5  49 o 25.94158 9.452650 49.12532       31.13516 88.09380       39.50461 -14.77000      50.58545 33.07692 10.69904 19.29797 9.261250 13.77895       14.15063 
1 1 1 -24 5  50 o 23.65317 9.332865 40.08617       31.85748 63.55530       39.09602 -6.290000      54.95807 27.54934 10.48198 20.07863 9.640429 7.470711       14.24113 
1 1 1 -24 5  51 o 23.60687 8.781487 39.77749       27.10257 57.45052       38.85938 23.03774       37.81943 26.11172 10.30615 20.88098 9.269422 5.230742       13.86142 
1 1 1 -24 6  1  o 95.17777 4.245595 450.1125       39.45353 470.0000       60.74279 435.6000       51.88890 96.31487 6.480830 93.05845 5.724259 3.256424       8.646867 
1 1 1 -24 6  2  o 85.64310 2.867732 361.5554       24.00624 315.2709       34.65011 404.2792       33.29060 79.55515 4.467643 90.33582 3.773226 -10.78066      5.847826 
1 1 1 -24 6  3  o 36.34885 4.930472 66.96088       17.09039 56.34000       25.70112 75.38000       22.88260 32.52604 8.102827 38.21494 6.339433 -5.688904      10.28806 
1 1 1 -24 6  4  o 70.76725 3.328953 247.6756       22.99467 264.8589       30.45782 224.9000       35.06559 72.94148 4.284845 66.85362 5.404621 6.087860       6.897088 
1 1 1 -24 6  5  o 68.47510 2.899248 231.3574       19.38833 224.3418       29.37175 236.7749       25.81062 67.04324 4.501873 69.06585 3.832971 -2.022606      5.912574 
1 1 1 -24 6  6  o 26.01737 5.067695 34.88941       12.44146 43.31782       19.65516 29.25472       16.07086 28.65168 7.055861 23.69856 6.655611 4.953117       9.699604 
1 1 1 -24 6  7  o 42.80389 3.505332 91.13313       14.55798 93.00890       22.20039 89.71799       19.28273 42.77907 5.423514 42.18610 4.752335 0.5929642      7.211047 
1 1 1 -24 6  8  o 74.01907 2.948430 270.4594       21.31920 238.7384       31.22544 298.1576       29.17835 69.09059 4.644228 77.49065 3.858992 -8.400055      6.038268 
1 1 1 -24 6  9  o 14.27352 5.669296 5.687430       11.82779 3.762643       17.47333 7.315227       16.06884 16.09462 6.700809 16.44671 6.582880 -0.3520851     9.393357 
1 1 1 -24 6  10 o 48.22788 3.416490 115.5301       16.02375 95.16466       23.06498 134.5287       22.27753 43.19378 5.586072 51.81394 4.435139 -8.620159      7.132648 
1 1 1 -24 6  11 o 26.51609 6.411607 37.02920       16.45652 29.93032       19.23972 56.38000       31.76532 24.07195 7.426467 32.26643 9.452249 -8.194485      12.02071 
1 1 1 -24 6  12 o 71.84483 3.669280 256.4275       25.71827 253.0251       31.22795 263.6000       45.34085 71.09683 4.510576 71.71761 6.530437 -0.6207809     7.936744 
1 1 1 -24 6  13 o 45.38265 4.388646 103.5856       19.25218 90.60967       22.35808 140.8000       37.86346 42.06742 5.566245 51.69322 7.719228 -9.625797      9.516804 
1 1 1 -24 6  14 o 70.75932 3.781650 249.3178       26.09702 275.9283       32.24599 198.8000       44.42947 74.20609 4.460042 61.59337 7.525479 12.61271       8.747847 
1 1 1 -24 6  15 o 24.83167 6.319027 32.64291       15.39469 24.38631       19.88019 45.01000       24.33065 22.27447 7.601452 28.86660 8.217661 -6.592133      11.19429 
1 1 1 -24 6  16 o 111.4262 3.809804 618.1024       41.49131 565.4000       77.31800 639.4174       49.17101 103.9354 7.653636 112.9844 4.454886 -9.048981      8.855742 
1 1 1 -24 6  17 o 115.8800 3.611380 667.6760       40.91264 734.4000       70.69573 634.0767       50.16692 119.8691 6.044825 112.3946 4.569539 7.474541       7.577638 
1 1 1 -24 6  18 o 70.52026 3.888698 248.5040       26.73867 248.6000       37.07373 248.4000       38.60088 69.84184 5.466587 69.68964 5.708769 0.1521988      7.904026 
1 1 1 -24 6  19 o 53.08939 3.710660 140.9731       19.16118 125.3000       28.37783 154.1065       25.97705 49.17592 6.020956 55.10477 4.866036 -5.928856      7.741461 
1 1 1 -24 6  20 o 64.00894 3.587554 204.5049       22.38741 202.0000       34.50906 206.3253       29.41803 62.70721 5.683915 63.83499 4.741999 -1.127781      7.402259 
1 1 1 -24 6  21 o 8.929004 4.392661 -27.24150      13.45761 -15.21152      17.89756 -42.89145      20.41352 12.61791 5.888464 10.78798 5.326731 1.829931       7.940282 
1 1 1 -24 6  22 o 34.90902 9.406303 69.42002       32.86058 114.3000       55.03123 44.55000       40.96576 43.02156 12.39454 29.27126 10.81333 13.75031       16.44849 
1 1 1 -24 6  23 o 48.18256 5.321551 119.5504       24.68005 141.1000       58.93330 114.9673       27.17804 47.65131 12.48687 46.90210 6.061583 0.7492065      13.88037 
1 1 1 -24 6  24 f 42.91327 5.937979 96.51312       24.27467 48.76000       55.27936 107.9214       27.01915 30.96989 12.27059 45.25329 6.267877 -14.28340      13.77874 
1 1 1 -24 6  25 f 33.45160 7.128612 61.10727       22.62705 52.87000       53.38752 62.91091       24.98174 31.28703 12.15878 33.67691 7.740841 -2.389879      14.41376 
1 1 1 -24 6  26 o 50.05592 4.053761 126.8086       19.69204 103.8173       27.02298 152.8418       28.75516 44.16060 6.441195 54.27435 5.488038 -10.11374      8.462125 
1 1 1 -24 6  27 o 77.59608 3.404716 301.5884       25.79696 284.4435       35.85665 319.9846       37.14211 74.41258 4.951015 79.03424 4.824127 -4.621658      6.912652 
1 1 1 -24 6  28 o 44.27568 4.796535 101.3587       20.45574 74.00307       27.06875 137.7803       31.23382 36.15872 7.871823 50.68895 6.440345 -14.53024      10.17072 
1 1 1 -24 6  29 o 29.94118 7.372694 50.74197       21.46153 31.30402       25.75554 94.90000       38.81953 24.08856 8.621221 39.22274 10.06269 -15.13418      13.25078 
1 1 1 -24 6  30 o 15.99321 7.084876 -2.003347      21.98026 -10.30000      27.66847 12.19000       36.18896 16.59315 7.591647 21.81245 9.383859 -5.219305      12.07021 
1 1 1 -24 6  31 o 27.71654 8.691073 45.95637       26.23256 45.95637       26.23256 0.000000       0.000000 27.71654 8.691073 ?        ?        ?              ?        
1 1 1 -24 6  32 o 31.52244 6.866125 56.17859       20.58437 80.27578       28.44078 29.66926       29.83030 36.96507 8.085896 23.69517 9.120837 13.26990       12.18899 
1 1 1 -24 6  33 o 13.29573 6.136922 -10.37980      18.63991 2.977021       25.50594 -25.69052      27.30785 17.69463 7.742367 14.55780 6.936642 3.136832       10.39525 
1 1 1 -24 6  34 o 32.28212 6.855711 59.36087       20.99324 43.44975       28.71148 77.63949       30.77351 26.61170 9.133620 35.43642 8.888487 -8.824713      12.74473 
1 1 1 -24 6  35 o 13.59003 6.280256 -10.64315      19.60559 -14.68846      26.83405 -6.011050      28.71434 15.53423 7.236354 17.15615 7.804765 -1.621926      10.64327 
1 1 1 -24 6  36 o 38.93687 6.900748 86.47176       25.33774 100.1886       30.43120 55.47000       45.74929 41.16060 7.839407 28.56594 11.21061 12.59466       13.67969 
1 1 1 -24 6  37 o 23.77012 8.376293 33.61230       24.22851 5.032683       28.67108 105.0000       45.31349 18.54660 8.158997 38.03275 11.32811 -19.48614      13.96049 
1 1 1 -24 6  38 o 37.98970 6.603189 82.17062       23.66342 69.98806       32.91971 95.19539       34.03859 32.32356 9.662117 38.52198 9.161644 -6.198425      13.31511 
1 1 1 -24 6  39 o 19.30361 7.944732 15.69018       24.17627 23.66000       38.72318 10.59910       30.94935 22.67106 9.729344 19.64249 8.562909 3.028572       12.96085 
1 1 1 -24 6  40 o 18.77392 7.948200 12.66838       25.23131 -19.53000      42.37963 30.34808       31.40347 18.34034 8.711148 22.88966 9.188623 -4.549328      12.66155 
1 1 1 -24 6  41 o 26.81309 8.293359 46.23751       23.97550 85.90334       35.21428 11.96184       32.73434 35.03293 9.856778 19.89606 8.736472 15.13687       13.17126 
1 1 1 -24 6  42 o 16.05136 7.211355 -0.8535128     23.62495 17.74661       34.58679 -17.12261      32.34701 20.99788 9.103862 16.34387 7.717585 4.654015       11.93488 
1 1 1 -24 6  43 o 20.67853 8.117771 23.53183       23.99478 28.83614       34.83670 18.74392       33.09753 22.61736 9.442433 20.84054 8.970016 1.776812       13.02385 
1 1 1 -24 6  44 o 13.77480 6.525585 -17.30622      23.48160 -19.75954      34.48826 -15.18615      32.06049 16.49908 7.842846 16.36954 7.715544 0.1295452      11.00181 
1 1 1 -24 6  45 o 13.24925 6.362584 -23.64573      23.96405 -6.209764      34.83358 -39.31310      33.01970 17.87386 8.298506 14.54036 7.095808 3.333500       10.91859 
1 1 1 -24 6  46 o 16.43673 7.563280 -5.334336      28.00211 -35.53967      35.71207 42.88000       45.11920 15.45088 7.503711 24.97817 10.60404 -9.527297      12.99044 
1 1 1 -24 6  47 o 25.69708 9.394423 46.44804       30.78983 67.68000       58.64779 38.36945       36.17631 27.62290 11.91526 23.96017 9.773396 3.662733       15.41080 
1 1 1 -24 6  48 f 13.12192 6.364955 -29.15118      25.49146 -54.09759      37.33861 -7.373264      34.88689 14.49796 7.166975 17.55073 8.200596 -3.052773      10.89107 
1 1 1 -24 6  49 f 36.61432 10.72764 106.2768       40.91299 106.2768       40.91299 0.000000       0.000000 36.61432 10.72764 ?        ?        ?              ?        
1 1 1 -24 6  50 o 37.19535 9.056805 97.34550       32.66125 84.28108       40.39842 122.0000       55.49673 31.31917 10.83072 34.12082 12.58922 -2.801647      16.60702 
1 1 1 -24 6  51 o 25.54699 10.05155 53.98941       36.85993 64.33000       52.58397 44.00000       51.68333 25.80433 11.20626 23.59609 10.62797 2.208237       15.44455 
1 1 1 -24 7  1  o 83.22057 2.837151 341.4615       23.07723 318.7558       34.44573 359.9524       31.08473 79.98234 4.416972 85.21951 3.735582 -5.237175      5.784826 
1 1 1 -24 7  2  o 74.12787 4.268316 273.6074       30.83928 324.3000       51.34537 245.0000       38.57169 79.79893 6.633446 69.65927 5.706953 10.13966       8.750539 
1 1 1 -24 7  3  o 42.09835 3.474465 88.13483       14.18989 99.84599       22.64995 80.56882       18.20541 44.38290 5.319547 39.95717 4.747480 4.425732       7.129948 
1 1 1 -24 7  4  o 51.43013 3.106321 130.9056       15.56470 122.7675       24.28080 136.5823       20.27931 49.33232 5.101884 52.35288 3.987361 -3.020561      6.475205 
1 1 1 -24 7  5  o 71.88600 2.855889 254.9574       20.05518 259.5817       30.81294 251.5586       26.41655 72.14694 4.383929 71.18330 3.805159 0.9636383      5.805004 
1 1 1 -24 7  6  o 94.98748 2.927115 445.0765       27.18278 412.7544       39.65166 473.7354       37.33717 90.99397 4.465509 97.70212 3.912102 -6.708153      5.936777 
1 1 1 -24 7  7  o 48.51874 3.290443 116.7635       15.53435 117.7410       24.03549 116.0623       20.35754 48.26011 5.168538 48.12999 4.368735 0.1301117      6.767542 
1 1 1 -24 7  8  o 82.61118 2.922973 336.8285       23.59853 329.0456       35.13174 343.2274       31.85507 81.20765 4.436590 83.11488 3.926659 -1.907234      5.924693 
1 1 1 -24 7  9  f 36.82628 4.010305 68.05795       14.22254 86.56068       22.06461 54.90552       18.60294 41.14581 5.625704 32.49761 6.071422 8.648193       8.277120 
1 1 1 -24 7  10 o 65.98472 3.701920 216.3670       23.81396 239.2749       30.27606 179.2000       38.56433 69.15714 4.496946 58.95364 6.807878 10.20349       8.159027 
1 1 1 -24 7  11 o 16.26884 6.493323 7.445540       15.58995 6.508422       18.18887 10.04000       30.26440 16.97680 6.928091 21.43139 8.861455 -4.454586      11.24828 
1 1 1 -24 7  12 o 39.97130 4.756514 80.95908       18.24528 95.13457       22.25487 51.90000       31.86375 43.17979 5.381996 30.99427 9.556359 12.18552       10.96767 
1 1 1 -24 7  13 o 31.63614 5.870959 52.16553       17.51102 40.47993       20.77913 80.80000       32.52719 27.51081 7.508332 38.44898 8.829350 -10.93816      11.59019 
1 1 1 -24 7  14 o 30.58108 5.430824 48.48626       15.66092 55.50222       20.48163 38.61000       24.30060 32.37722 6.684355 26.96746 8.350801 5.409763       10.69656 
1 1 1 -24 7  15 o 19.02870 7.013011 15.49469       17.21367 5.689000       44.06287 17.26072       18.69964 23.95723 10.33097 19.91140 7.314371 4.045832       12.65815 
1 1 1 -24 7  16 o 47.08457 3.679218 110.8131       16.82212 104.2104       24.50956 116.6937       23.13042 45.00437 5.690862 47.91210 5.005881 -2.907730      7.579232 
1 1 1 -24 7  17 o 41.31298 4.215675 86.11665       16.80881 93.07000       25.21775 80.55756       22.54814 42.23229 6.292155 39.32954 6.050779 2.902748       8.729441 
1 1 1 -24 7  18 o 39.09162 4.492784 77.57835       16.87900 73.02000       24.72896 81.55446       23.09566 36.96988 7.091531 39.49617 6.176219 -2.526295      9.404016 
1 1 1 -24 7  19 o 43.99985 4.173972 97.68608       17.76159 90.67000       26.13343 103.7092       24.21364 41.43554 6.669781 44.81182 5.645290 -3.376286      8.738151 
1 1 1 -24 7  20 o 48.49757 3.802224 118.0142       17.90524 123.8622       25.42521 112.2603       25.21970 49.10651 5.377381 46.61491 5.641917 2.491592       7.794065 
1 1 1 -24 7  21 o 49.47226 3.868597 122.9847       18.58474 117.9334       26.36645 127.9724       26.19993 47.69679 5.764282 49.84772 5.458850 -2.150925      7.938891 
1 1 1 -24 7  22 o 34.97920 5.203979 63.38474       17.27585 37.94912       23.64041 92.53595       25.30825 26.42821 8.245090 41.88775 6.373291 -15.45954      10.42115 
1 1 1 -24 7  23 f 65.93254 4.422225 219.9167       28.37450 183.5000       61.43088 229.7931       31.99161 55.12183 11.74524 67.15690 4.900481 -12.03506      12.72656 
1 1 1 -24 7  24 o 57.48457 4.772682 168.5889       26.61270 272.4000       63.01725 146.0563       29.35918 69.40340 9.527429 52.99315 5.752175 16.41025       11.12921 
1 1 1 -24 7  25 o 49.29706 5.413357 125.9463       25.69200 71.00000       57.53063 139.6343       28.71436 34.27416 12.78546 51.74505 5.767136 -17.47089      14.02597 
1 1 1 -24 7  26 o 83.33450 4.176068 351.2104       33.95568 407.3000       71.22090 334.7103       38.62857 85.47493 8.630700 80.85741 4.903759 4.617516       9.926521 
1 1 1 -24 7  27 o 40.19559 5.084442 84.09286       19.55770 54.41061       26.07508 122.2681       29.57115 30.75148 8.418285 47.75784 6.493902 -17.00636      10.63195 
1 1 1 -24 7  28 o 36.48019 5.631107 70.68951       19.46092 34.27909       25.36830 122.7606       30.33729 24.91617 8.584148 47.57795 6.699533 -22.66178      10.88905 
1 1 1 -24 7  29 o 43.14791 4.959043 97.17244       20.56387 59.99910       26.26076 156.1015       33.06407 32.02959 8.306965 53.77902 6.406956 -21.74943      10.49070 
1 1 1 -24 7  30 o 22.50092 7.759831 27.72878       20.73193 9.069810       24.37658 76.51000       39.41442 18.65598 7.850756 34.26268 10.63943 -15.60671      13.22240 
1 1 1 -24 7  31 f 37.91666 6.575081 79.54703       23.51856 69.09009       28.29838 102.9000       42.28930 33.98172 8.523506 39.70364 10.65882 -5.721928      13.64774 
1 1 1 -24 7  32 o 22.51043 7.773708 28.22424       20.80877 10.88225       27.61464 51.00946       31.65311 19.61315 8.309831 28.58143 9.592639 -8.968279      12.69141 
1 1 1 -24 7  33 o 23.72894 7.645685 32.49937       20.18640 25.76647       27.13139 40.84816       30.21223 22.40466 8.678550 26.04929 9.335683 -3.644629      12.74646 
1 1 1 -24 7  34 o 20.00002 7.491479 20.21356       19.79278 28.36954       27.08362 10.86472       28.99663 22.88743 8.720457 19.75105 8.446475 3.136374       12.14040 
1 1 1 -24 7  35 o 21.77242 7.760793 26.32891       20.84979 51.92137       28.41289 -3.531647      30.69080 28.69860 9.051407 17.96035 8.130231 10.73825       12.16670 
1 1 1 -24 7  36 o 15.86278 7.129597 -3.051319      23.11908 7.486073       27.94234 -25.92000      41.16392 18.79826 8.166265 17.99279 8.557290 0.8054695      11.82857 
1 1 1 -24 7  37 o 20.65408 7.807425 22.58730       21.60541 17.14171       29.72307 28.68800       31.46021 20.68282 8.684255 23.02362 9.212433 -2.340801      12.66038 
1 1 1 -24 7  38 o 71.92020 5.518921 280.0575       38.55495 259.0000       51.98496 305.8000       57.47775 65.41411 8.305966 70.87091 8.452006 -5.456802      11.85013 
1 1 1 -24 7  39 o 14.61515 6.820500 -12.90122      24.01131 -18.66000      38.48124 -9.229517      30.72683 17.74540 8.390865 16.92648 7.836199 0.8189220      11.48097 
1 1 1 -24 7  40 f 50.30711 5.338736 138.0464       25.88813 172.9095       37.67220 106.8513       35.63534 54.09668 7.300682 40.28335 9.235138 13.81333       11.77233 
1 1 1 -24 7  41 o 20.19301 8.002429 21.36840       23.51604 19.30328       34.32415 23.19522       32.28302 21.15520 9.120347 21.53843 9.047441 -0.3832226     12.84667 
1 1 1 -24 7  42 o 27.10101 8.330103 47.39326       24.23383 88.57565       35.76777 12.44586       32.94910 35.51494 9.912989 19.98736 8.771180 15.52758       13.23635 
1 1 1 -24 7  43 o 17.61616 7.593828 8.776685       23.79098 5.427924       34.31912 11.87486       33.01009 19.15863 8.642092 19.79645 8.729943 -0.6378212     12.28404 
1 1 1 -24 7  44 o 26.08570 8.426261 44.66354       24.50863 49.35397       35.31349 40.30472       34.04231 26.26805 9.969634 24.53064 9.657274 1.737408       13.88008 
1 1 1 -24 7  45 o 17.25789 7.795925 0.7608378      28.04481 -6.777198      35.11863 14.03000       46.59402 17.85347 8.303791 21.69959 9.898843 -3.846119      12.92053 
1 1 1 -24 7  46 o 20.40949 8.622663 19.90240       29.59325 19.31000       55.87161 20.13339       34.88919 22.86169 10.57792 21.05313 9.135605 1.808561       13.97683 
1 1 1 -24 7  47 o 22.84072 8.586489 33.35375       26.05167 34.83929       38.64272 32.11601       35.27273 23.44506 9.876396 22.87003 9.520983 0.5750237      13.71832 
1 1 1 -24 7  48 o 18.72651 8.736902 -2.859730      39.35905 -56.77000      58.41281 41.97000       53.26665 18.08170 8.943239 24.49254 10.92869 -6.410841      14.12154 
1 1 1 -24 7  49 o 26.88467 9.673332 54.76292       32.47312 42.45832       40.02850 78.45000       55.53813 24.10939 10.09747 28.25322 11.86736 -4.143824      15.58182 
1 1 1 -24 7  50 o 30.80774 10.37753 78.52649       37.04306 64.84000       53.71306 90.94000       51.15417 26.09213 11.32863 29.92159 11.82006 -3.829454      16.37228 
1 1 1 -24 8  1  o 54.61288 3.026563 147.5066       16.11571 145.3438       25.85118 148.8815       20.61094 53.73893 4.970888 54.68706 3.875517 -0.9481354     6.303123 
1 1 1 -24 8  2  o 46.67023 3.223186 108.0061       14.63376 103.7731       23.90499 110.5431       18.50661 45.17684 5.520422 47.04112 4.058891 -1.864281      6.851982 
1 1 1 -24 8  3  o 32.26416 4.104397 52.44626       12.66912 40.00315       20.83577 59.74538       15.95806 27.49893 7.524051 34.27861 4.894947 -6.779688      8.976183 
1 1 1 -24 8  4  o 52.90486 3.099480 138.5368       15.98027 113.5115       24.78654 156.3381       20.90502 47.28985 5.454613 56.05189 3.833329 -8.762039      6.666874 
1 1 1 -24 8  5  f 50.08466 3.225893 124.3381       15.73060 90.96969       24.15420 148.9146       20.72933 42.08880 6.035481 54.67981 3.898616 -12.59101      7.185141 
1 1 1 -24 8  6  o 20.12909 5.848366 20.85038       12.20476 16.48764       19.92274 23.47120       15.44145 20.13012 7.520950 21.47905 6.657693 -1.348928      10.04438 
1 1 1 -24 8  7  o 46.04087 3.414780 105.3502       15.27952 91.50844       23.86921 114.9600       19.88841 42.22610 5.938868 47.90313 4.286870 -5.677032      7.324439 
1 1 1 -24 8  8  o 51.30613 3.349866 130.6515       16.73098 119.6721       25.85531 138.5610       21.94501 48.50107 5.545763 52.61118 4.298838 -4.110111      7.016801 
1 1 1 -24 8  9  o 12.32180 5.613026 -8.708033      14.91451 8.276323       18.87999 -36.90000      24.32428 17.65446 7.111516 13.00363 6.285939 4.650826       9.491401 
1 1 1 -24 8  10 o 32.01442 5.644903 53.06290       17.04299 50.52612       21.19016 57.71000       28.68033 30.81317 7.162192 32.58810 8.790578 -1.774935      11.33893 
1 1 1 -24 8  11 o 55.96975 3.893957 156.3247       21.19991 153.3121       26.39549 161.8000       35.58476 55.10221 4.946471 55.96028 6.624814 -0.8580704     8.267753 
1 1 1 -24 8  12 o 14.94194 6.663425 -6.281388      19.77322 -6.281388      19.77322 0.000000       0.000000 14.94194 6.663425 ?        ?        ?              ?        
1 1 1 -24 8  13 o 87.94498 3.609252 384.4395       31.00350 358.0000       60.59752 393.8145       36.08389 82.74046 7.565866 88.78828 4.163540 -6.047829      8.635820 
1 1 1 -24 8  14 f 48.91295 3.542694 119.3084       16.84653 136.9323       25.64673 105.9329       22.34272 51.92141 5.112627 45.61758 5.090422 6.303829       7.214662 
1 1 1 -24 8  15 o 11.39693 5.181048 -7.024030      12.62547 7.652709       18.40360 -20.07275      17.35290 17.24568 6.994443 11.75419 5.580399 5.491484       8.947798 
1 1 1 -24 8  16 f 59.14288 3.597177 174.4227       20.72582 187.9000       33.39731 165.9813       26.43127 60.57179 5.699935 57.29282 4.755996 3.278976       7.423527 
1 1 1 -24 8  17 o 29.83643 5.631545 46.58047       15.84399 77.65000       23.60104 21.09019       21.37722 38.39647 6.512069 21.49303 7.832425 16.90344       10.18597 
1 1 1 -24 8  18 o 55.60992 3.815462 154.8553       20.64267 176.1000       33.06605 141.2878       26.42446 58.45873 5.857474 52.59566 5.200756 5.863071       7.833127 
1 1 1 -24 8  19 o 29.05269 5.574590 44.29257       15.27637 43.04030       21.42212 45.58830       21.79070 28.10081 7.604599 28.90254 7.602134 -0.8017311     10.75278 
1 1 1 -24 8  20 o 44.04446 4.109990 97.94125       17.51440 108.8454       25.26018 87.84566       24.30560 45.80961 5.760510 40.87270 6.275538 4.936905       8.518559 
1 1 1 -24 8  21 o 14.62643 6.072660 3.768629       14.29409 20.47997       19.79186 -14.45197      20.66628 20.89566 7.547548 13.91194 6.435675 6.983712       9.918840 
1 1 1 -24 8  22 o 12.68522 5.658544 -4.522473      14.26904 -1.905368      19.46189 -7.564599      20.98278 15.44866 6.761281 15.05753 6.777856 0.3911362      9.573623 
1 1 1 -24 8  23 o 26.74829 6.438821 38.64676       16.65420 35.00613       22.85526 42.76828       24.31790 25.41915 8.130088 27.75287 8.306389 -2.333723      11.62301 
1 1 1 -24 8  24 o 59.50338 4.700439 180.5144       27.15482 282.4000       62.56987 156.8711       30.14132 70.83691 9.244350 54.93775 5.687278 15.89917       10.85372 
1 1 1 -24 8  25 o 43.24978 6.181763 99.05763       25.42635 86.88000       57.15979 102.0617       28.38981 36.78352 12.87326 43.52878 6.892459 -6.745255      14.60229 
1 1 1 -24 8  26 o 50.48529 5.489707 133.0041       26.69185 118.8000       59.13934 136.6378       29.91176 41.94962 13.03354 50.79343 6.140791 -8.843819      14.40772 
1 1 1 -24 8  27 o 77.96198 4.301636 309.3196       32.69913 290.8000       64.19335 315.8087       37.99844 70.63613 9.527151 78.26843 4.985821 -7.632301      10.75291 
1 1 1 -24 8  28 o 34.96312 5.918215 65.71244       19.53197 57.98345       26.10475 75.54238       29.43971 31.54193 8.332257 35.98550 8.495183 -4.443565      11.89935 
1 1 1 -24 8  29 f 28.92439 6.818202 46.92471       18.98630 45.04004       24.70376 49.64446       29.67636 27.70134 8.390162 28.71879 9.271757 -1.017450      12.50441 
1 1 1 -24 8  30 o 35.41723 6.665653 69.75459       22.26030 84.12284       26.71117 37.09000       40.27444 38.50158 7.355865 26.16527 10.43882 12.33632       12.77019 
1 1 1 -24 8  31 o 21.90105 7.886838 25.71388       21.59159 18.76813       25.70905 42.34000       39.77608 20.80874 8.327335 26.91125 10.48460 -6.102512      13.38923 
1 1 1 -24 8  32 o 13.18967 6.202137 -16.53311      20.50039 -31.84214      24.10351 23.50000       38.97770 12.88561 6.235765 23.54367 9.918590 -10.65806      11.71594 
1 1 1 -24 8  33 o 57.03459 4.642936 169.7923       25.69611 200.7000       38.58686 145.1644       34.44449 60.14252 6.666507 50.64863 7.146126 9.493889       9.772893 
1 1 1 -24 8  34 o 15.14681 6.851050 -5.391612      21.74050 -3.144353      25.85185 -10.82000      40.17913 16.75882 7.535191 19.32320 8.951017 -2.564384      11.70042 
1 1 1 -24 8  35 o 24.61229 8.295880 36.20935       23.67239 48.54762       28.47233 8.585000       42.60318 27.74070 9.090825 21.75897 9.736775 5.981728       13.32096 
1 1 1 -24 8  36 o 28.92138 7.594776 50.11145       21.77139 62.33300       30.11930 36.73838       31.50631 31.02164 9.234595 24.73433 9.409994 6.287304       13.18430 
1 1 1 -24 8  37 o 37.45661 7.363339 82.59972       26.03378 88.01000       41.60198 79.11731       33.37673 34.83526 10.94791 34.54896 9.550650 0.2862968      14.52830 
1 1 1 -24 8  38 o 44.05634 6.538188 110.2032       27.34098 183.5000       45.80780 69.64175       34.07641 54.01351 8.979386 31.83941 9.893712 22.17410       13.36095 
1 1 1 -24 8  39 o 26.37474 8.123968 43.85674       23.03447 47.11057       32.57092 40.60101       32.58040 26.41992 9.661744 25.03001 9.557815 1.389904       13.59048 
1 1 1 -24 8  40 o 26.72452 8.313526 45.81890       24.05321 53.28309       34.39419 38.67390       33.65075 27.51131 9.947903 24.52651 9.617852 2.984797       13.83705 
1 1 1 -24 8  41 o 18.47272 7.726550 13.39396       23.39118 23.18879       34.53231 5.089390       31.79697 21.77119 9.261033 18.74268 8.397547 3.028515       12.50142 
1 1 1 -24 8  42 f 34.00667 7.605068 70.94319       24.67921 79.50809       36.47994 63.71525       33.51199 33.03394 10.23206 29.86059 9.866419 3.173342       14.21412 
1 1 1 -24 8  43 f 13.95482 6.557606 -14.07912      22.85155 -20.04061      33.70440 -9.007304      31.08789 16.30642 7.751819 16.80375 7.814601 -0.4973278     11.00721 
1 1 1 -24 8  44 o 13.63903 6.591394 -28.58563      26.70310 -27.20493      33.55530 -30.97000      44.09599 15.60896 7.504346 17.54751 8.477813 -1.938551      11.32204 
1 1 1 -24 8  45 o 17.52782 7.880916 2.416449       28.27815 -50.29000      54.01598 22.31517       33.18967 18.04457 8.861802 21.28919 9.068397 -3.244625      12.67941 
1 1 1 -24 8  46 f 22.09082 8.315287 30.25825       24.44920 36.99463       35.21764 23.99109       33.96894 23.70987 9.653638 21.48927 9.164579 2.220596       13.31098 
1 1 1 -24 8  47 f 21.54553 8.402317 27.84061       25.56555 43.42738       36.99311 13.59025       35.37167 24.81162 9.968501 20.13543 8.949961 4.676193       13.39675 
1 1 1 -24 8  48 f 22.92675 9.316241 34.51309       32.72186 -5.753025      40.61440 109.0000       55.23956 18.60473 8.742574 33.09912 12.49013 -14.49439      15.24585 
1 1 1 -24 8  49 o 35.50956 10.32282 98.32464       38.01434 0.000000       0.000000 98.32464       38.01434 ?        ?        35.50956 10.32282 ?              ?        
1 1 1 -24 8  50 o 17.14587 7.828429 2.092501       29.22424 36.46000       50.93085 -14.77734      35.68309 23.05922 10.45237 16.61692 7.921017 6.442307       13.11467 
1 1 1 -24 9  1  o 124.5748 3.166151 766.5509       38.57589 748.9052       56.39046 782.0721       52.88700 122.4504 4.713583 125.3386 4.317245 -2.888237      6.391906 
1 1 1 -24 9  2  o 47.19604 3.239904 110.5039       14.87652 80.63100       23.98903 129.1710       18.96325 39.43673 6.436279 50.91404 3.833277 -11.47731      7.491308 
1 1 1 -24 9  3  o 86.01871 2.873827 365.1188       24.16293 363.5902       37.26952 366.2273       31.73656 85.34235 4.477180 85.89228 3.784136 -0.5499344     5.862152 
1 1 1 -24 9  4  o 80.19766 2.886150 317.4702       22.61925 269.1443       33.46881 358.1008       30.68860 73.31433 4.688427 84.95409 3.699381 -11.63976      5.972167 
1 1 1 -24 9  5  o 84.19999 2.918408 350.0056       24.01636 324.9709       36.04049 370.0015       32.20993 80.61498 4.586318 86.31041 3.822071 -5.695427      5.970137 
1 1 1 -24 9  6  o 71.31379 2.960766 251.2928       20.62235 231.2758       31.58724 266.1632       27.22529 67.88590 4.784276 73.17028 3.814467 -5.284378      6.118779 
1 1 1 -24 9  7  o 37.94168 4.735594 72.95248       17.20537 53.35291       22.31254 101.7000       27.02253 31.64698 7.344862 44.34578 6.411263 -12.69880      9.749425 
1 1 1 -24 9  8  o 67.80218 3.651606 228.4718       24.14507 227.5842       31.18618 229.8000       38.14914 67.31276 4.764020 67.20711 5.857602 0.1056519      7.550324 
1 1 1 -24 9  9  o 19.62276 6.719203 18.37000       15.53603 15.06360       20.19846 23.16000       24.31130 19.74979 7.529448 22.78712 8.345025 -3.037327      11.23975 
1 1 1 -24 9  10 o 54.12373 3.951345 146.3679       20.78914 133.6874       26.49020 166.7000       33.54348 51.27085 5.357455 57.00780 6.106313 -5.736946      8.123384 
1 1 1 -24 9  11 o 37.01927 6.665738 72.04927       23.26546 72.04927       23.26546 0.000000       0.000000 37.01927 6.665738 ?        ?        ?              ?        
1 1 1 -24 9  12 o 18.77160 6.735194 15.82794       15.72993 -7.885000      42.42175 19.60799       16.93733 21.88905 9.760890 20.26084 7.012590 1.628204       12.01879 
1 1 1 -24 9  13 o 61.34515 3.227462 186.8098       19.31155 172.5005       29.63065 197.3761       25.46217 58.26629 5.251688 62.77061 4.167729 -4.504318      6.704491 
1 1 1 -24 9  14 o 66.43946 3.162204 218.9898       20.50566 217.7694       31.37719 219.8995       27.09136 65.63189 4.920003 66.23918 4.200025 -0.6072922     6.468897 
1 1 1 -24 9  15 o 55.11331 3.566954 151.5049       19.13909 167.3000       31.88777 142.6109       23.92839 57.08548 5.786648 53.11561 4.649234 3.969864       7.422983 
1 1 1 -24 9  16 o 14.53786 6.021075 3.693237       14.00413 0.3233000      20.57179 6.603621       19.11773 16.39413 7.064175 17.20346 7.070968 -0.8093319     9.995056 
1 1 1 -24 9  17 o 66.00988 3.395190 216.9485       21.86340 229.6361       33.05448 207.0805       29.15111 67.23238 5.059927 63.99588 4.686172 3.236507       6.896599 
1 1 1 -24 9  18 o 43.26143 4.140261 94.46966       17.31846 93.39233       25.24807 95.42696       23.80002 42.19648 6.306031 42.86644 5.822618 -0.6699600     8.583059 
1 1 1 -24 9  19 o 9.965478 4.783606 -18.63410      13.51312 -34.11763      18.85111 -2.268236      19.38078 10.86558 5.315128 15.38460 6.739849 -4.519022      8.583482 
1 1 1 -24 9  20 o 70.27521 3.307349 245.9704       22.68654 302.1746       34.80700 204.4590       29.91340 77.28716 4.622124 63.41483 4.856074 13.87233       6.704140 
1 1 1 -24 9  21 o 21.80581 6.537864 25.16109       15.05522 31.32161       20.91857 18.54106       21.68468 24.26764 7.779667 20.73101 7.825024 3.536623       11.03423 
1 1 1 -24 9  22 o 26.35644 6.252852 37.36193       15.88665 30.17903       21.45166 46.08651       23.64193 23.90269 7.893703 28.79162 8.067728 -4.888933      11.28711 
1 1 1 -24 9  23 o 14.39467 6.152829 1.185472       15.37314 17.93286       20.02416 -22.85557      23.99151 20.12494 7.535784 14.10922 6.657562 6.015712       10.05541 
1 1 1 -24 9  24 o 28.36603 7.895531 44.93502       22.72477 42.24000       53.01607 45.54163       25.15260 29.52729 11.90887 28.45099 8.431370 1.076296       14.59141 
1 1 1 -24 9  25 o 15.81869 7.075847 -5.511016      22.47585 -32.21000      51.60902 0.7379705      24.96796 20.89342 9.829634 17.68155 7.699820 3.211866       12.48635 
1 1 1 -24 9  26 o 48.46603 5.663448 123.4322       26.36142 131.6000       55.51959 121.0549       29.95321 44.74139 12.29818 47.40860 6.636291 -2.667210      13.97446 
1 1 1 -24 9  27 o 39.82043 6.822045 86.86048       25.63443 94.52000       53.34267 84.56042       29.23098 37.29958 12.45177 38.53154 8.011889 -1.231956      14.80666 
1 1 1 -24 9  28 o 54.91994 5.310423 158.1747       28.19161 215.6000       57.53258 140.0294       32.34036 59.35290 10.27487 50.69392 6.679920 8.658978       12.25538 
1 1 1 -24 9  29 o 30.90279 6.662057 53.36641       19.55770 50.44312       26.07016 57.12941       29.57837 29.05252 8.577154 30.56586 9.163778 -1.513336      12.55159 
1 1 1 -24 9  30 o 16.34298 6.855480 6.096917       18.49529 2.248453       24.16844 11.53601       28.73214 17.31267 7.556741 20.05919 8.486521 -2.746519      11.36333 
1 1 1 -24 9  31 o 17.36123 7.241462 8.346141       20.46151 4.761895       23.99809 17.89000       39.15973 17.63706 7.614962 22.81317 9.787071 -5.176111      12.40058 
1 1 1 -24 9  32 o 23.74590 7.852387 32.58718       21.22547 40.45449       24.95031 11.98000       40.38053 25.97565 8.509866 22.07774 9.698604 3.897905       12.90274 
1 1 1 -24 9  33 o 40.20153 6.336226 89.65204       24.10865 89.80531       28.06112 89.22000       47.11230 39.28960 7.571151 35.01387 11.70229 4.275730       13.93793 
1 1 1 -24 9  34 o 19.71475 8.047142 15.73894       24.54568 47.00000       29.93104 -48.46000      42.89274 27.32651 9.327077 16.83677 8.187491 10.48974       12.41086 
1 1 1 -24 9  35 o 36.99699 7.158275 79.23878       24.98541 103.0131       29.69828 21.65000       46.22173 41.99931 7.499272 23.67464 10.38899 18.32467       12.81289 
1 1 1 -24 9  36 o 41.15972 6.323732 94.88721       24.66348 100.7000       37.09076 90.27987       33.02166 39.14893 9.723269 37.67608 9.064839 1.472855       13.29335 
1 1 1 -24 9  37 o 33.39955 7.792158 67.50032       25.00605 69.45000       38.32007 66.05434       33.00087 31.25526 10.55492 31.26834 9.739514 -0.1307487E-01 14.36191 
1 1 1 -24 9  38 o 37.17408 6.712038 79.71462       23.52457 81.73579       32.83419 77.58280       33.72106 35.07016 9.381824 33.77155 9.693881 1.298618       13.49037 
1 1 1 -24 9  39 o 16.90494 7.317719 6.159836       22.27507 -26.34772      31.03096 40.71762       31.99455 15.18370 7.278023 24.95156 9.484990 -9.767861      11.95553 
1 1 1 -24 9  40 o 16.75481 7.329093 4.797749       22.84162 13.20318       32.60851 -3.299823      32.00578 20.02979 8.759416 17.74054 8.134699 2.289249       11.95411 
1 1 1 -24 9  41 o 34.91359 7.394449 73.79442       24.48258 32.92174       34.75961 114.0336       34.48917 23.39902 9.566577 42.23163 8.634959 -18.83261      12.88728 
1 1 1 -24 9  42 o 15.56439 7.025323 -1.953339      22.72172 -50.89469      33.05169 41.90300       31.28757 13.78983 6.803119 24.95930 9.404056 -11.16947      11.60684 
1 1 1 -24 9  43 o 18.35208 8.029738 8.884315       27.43221 16.15714       34.04953 -4.568000      46.30820 20.51445 8.961558 19.97372 9.369847 0.5407276      12.96548 
1 1 1 -24 9  44 o 33.44574 8.947069 75.23295       29.86203 64.76000       57.38816 79.12157       34.96921 27.68192 11.86135 33.01214 9.978845 -5.330217      15.50061 
1 1 1 -24 9  45 o 22.30566 8.312076 30.78832       24.30311 43.31306       34.57364 18.55467       34.16950 25.00187 9.765089 20.79315 9.031704 4.208723       13.30145 
1 1 1 -24 9  46 o 18.40021 7.819364 13.10678       24.57592 -5.587355      35.50358 30.30453       34.05299 17.91492 8.338048 22.48448 9.357244 -4.569565      12.53320 
1 1 1 -24 9  47 o 33.00480 9.394323 77.12211       31.79948 70.17706       39.50720 89.90000       53.58809 29.56637 10.66563 30.81384 12.12091 -1.247473      16.14535 
1 1 1 -24 9  48 o 16.40647 7.430315 0.4726272      25.67006 39.20915       38.25639 -31.25190      34.62113 23.70921 9.896409 15.28296 7.414248 8.426244       12.36568 
1 1 1 -24 9  49 f 36.21803 10.23254 101.8569       37.86917 0.000000       0.000000 101.8569       37.86917 ?        ?        36.21803 10.23254 ?              ?        
1 1 1 -24 9  50 o 17.15779 7.870749 1.441127       30.00454 -54.48000      55.96477 23.99899       35.54478 17.34630 8.610023 20.81527 9.123009 -3.468969      12.54439 
1 1 1 -24 10 1  o 85.35220 2.897655 359.7112       24.17338 310.1523       36.04271 400.2301       32.59008 78.67422 4.701805 89.78498 3.716340 -11.11076      5.993176 
1 1 1 -24 10 2  o 92.80934 2.930880 425.3297       26.59201 403.8155       40.33282 441.8733       35.36795 89.84657 4.601504 94.30179 3.839661 -4.455223      5.993066 
1 1 1 -24 10 3  o 34.14987 5.542117 60.07118       17.89104 28.69000       27.55235 82.95000       23.52560 24.78358 8.911206 40.03836 6.203368 -15.25478      10.85778 
1 1 1 -24 10 4  o 99.07960 2.980749 484.8918       28.87498 440.7968       42.61163 522.3311       39.26424 93.84295 4.653472 102.4972 3.920852 -8.654266      6.085054 
1 1 1 -24 10 5  o 20.23359 5.923890 21.12727       12.47972 -1.983105      20.45085 34.83919       15.75277 16.02003 6.972531 25.70462 6.308685 -9.684589      9.402962 
1 1 1 -24 10 6  f 42.54743 4.489717 91.26353       18.41654 69.31052       24.03200 122.5000       28.66645 36.23038 7.030232 48.80843 6.135545 -12.57806      9.331081 
1 1 1 -24 10 7  o 41.32428 4.654403 86.37045       18.49969 62.00972       24.26284 120.2000       28.59200 34.06544 7.481610 48.30267 6.189426 -14.23723      9.709969 
1 1 1 -24 10 8  o 53.02580 3.969288 140.5577       20.45234 115.0230       26.22473 180.2000       32.67569 47.36853 5.775327 59.46557 5.682791 -12.09705      8.102377 
1 1 1 -24 10 9  o 81.99776 4.513587 337.0626       36.08707 337.0626       36.08707 0.000000       0.000000 81.99776 4.513587 ?        ?        ?              ?        
1 1 1 -24 10 10 o 22.94173 7.582948 26.60180       19.79454 13.69000       41.73223 30.35000       22.48483 24.60306 10.30757 24.39221 8.082579 0.2108498      13.09863 
1 1 1 -24 10 11 o 28.28587 5.318621 41.58069       14.18526 32.04519       23.99065 46.70652       17.58944 25.02321 8.350482 29.75247 6.239412 -4.729265      10.42405 
1 1 1 -24 10 12 o 21.01480 6.102624 23.04235       13.29206 9.902016       21.63302 31.01197       16.84739 18.81602 7.600662 24.18619 6.822248 -5.370174      10.21338 
1 1 1 -24 10 13 o 15.49950 6.128058 7.399050       13.76022 16.71000       23.93413 2.801981       16.81749 20.99243 8.145764 15.49667 6.521046 5.495754       10.43444 
1 1 1 -24 10 14 o 22.13360 6.412463 25.77126       14.69170 35.08000       24.38843 20.46909       18.40624 25.83798 8.410218 20.75380 7.301863 5.084175       11.13773 
1 1 1 -24 10 15 o 72.94444 3.376304 264.6275       24.04143 265.0000       41.11274 264.4339       29.63687 71.84211 5.898329 72.60827 4.187805 -0.7661591     7.233809 
1 1 1 -24 10 16 o 34.78450 4.783325 61.98866       15.85549 73.81623       24.68414 53.68095       20.68763 37.15239 7.045471 31.62559 6.879139 5.526804       9.846889 
1 1 1 -24 10 17 o 36.12323 4.667704 66.69594       16.11883 45.42253       23.90458 84.43331       21.82767 28.76521 8.130825 40.33321 5.686521 -11.56800      9.922038 
1 1 1 -24 10 18 o 12.99792 5.716783 -2.673158      14.06875 9.040488       20.37570 -13.34562      19.44908 18.10419 7.353405 13.57014 6.265410 4.534044       9.660638 
1 1 1 -24 10 19 o 21.26618 6.603132 23.64696       15.18197 27.09818       22.07917 20.55168       20.90964 23.15367 8.006942 21.13192 7.739156 2.021746       11.13578 
1 1 1 -24 10 20 o 56.94875 3.614987 162.3636       20.04701 166.9942       29.14418 158.2051       27.61879 57.05030 5.278858 55.58654 5.134069 1.463764       7.363763 
1 1 1 -24 10 21 o 25.43587 6.567351 34.97868       16.46321 49.61835       22.89783 19.31219       23.68724 29.93993 7.752746 21.30185 8.145830 8.638083       11.24543 
1 1 1 -24 10 22 o 40.22387 4.654073 82.89719       17.98646 72.27268       24.85503 94.57790       26.06120 36.41769 7.227735 42.15113 6.527365 -5.733440      9.738924 
1 1 1 -24 10 23 o 54.27496 5.068783 151.4555       26.61691 222.7000       61.46572 135.0122       29.52918 61.52658 10.58803 50.69733 6.071179 10.82925       12.20514 
1 1 1 -24 10 24 o 16.29106 6.606252 7.518727       16.41457 25.33342       22.20109 -13.96235      24.37885 22.43199 8.006976 15.29047 7.043511 7.141513       10.66409 
1 1 1 -24 10 25 o 34.94109 7.278468 67.66762       24.08400 128.9000       54.45989 52.78097       26.85249 44.47887 12.16193 30.22152 8.642721 14.25735       14.92009 
1 1 1 -24 10 26 o 73.11641 4.474965 273.2659       31.87319 197.0000       59.72418 303.6367       37.68894 56.11029 11.26607 76.64500 5.051871 -20.53471      12.34689 
1 1 1 -24 10 27 f 66.21431 4.715711 226.0594       30.36361 154.4000       58.27817 252.7594       35.57335 47.81560 12.36164 69.60828 5.259972 -21.79268      13.43419 
1 1 1 -24 10 28 o 44.90002 6.273211 109.3561       26.81887 134.7000       54.73927 101.3510       30.76415 44.14089 12.24197 42.17423 7.737368 1.966656       14.48215 
1 1 1 -24 10 29 o 13.87920 6.219277 -4.279713      17.44654 -5.936699      22.63830 -1.856213      27.37826 15.51401 7.006581 17.58129 7.840616 -2.067286      10.51511 
1 1 1 -24 10 30 o 48.41359 4.641693 122.1066       21.72719 121.8961       29.00321 122.3759       32.79961 47.09830 6.461353 46.37339 7.480403 0.7249107      9.884610 
1 1 1 -24 10 31 o 28.36386 7.163100 46.47864       19.88869 51.10521       25.54899 39.36296       31.68486 29.01307 8.470910 25.76826 9.511543 3.244820       12.73679 
1 1 1 -24 10 32 f 33.07593 7.256916 63.23530       22.84771 35.43140       26.13070 153.5000       47.08223 24.57375 8.695359 48.87210 10.17342 -24.29836      13.38311 
1 1 1 -24 10 33 o 22.44209 8.507665 27.17830       25.69802 27.17830       25.69802 0.000000       0.000000 22.44209 8.507665 ?        ?        ?              ?        
1 1 1 -24 10 34 o 35.44686 7.341686 73.20911       24.63424 65.78851       28.67036 94.14000       48.15127 32.39560 8.810499 35.51907 11.82973 -3.123470      14.75016 
1 1 1 -24 10 35 o 53.11116 5.185819 150.9360       26.61629 193.2000       40.32846 118.3190       35.42810 57.89771 7.276453 43.95786 8.541731 13.93985       11.22087 
1 1 1 -24 10 36 o 46.96754 7.049123 127.1598       31.40770 134.9000       41.77827 117.1000       47.62897 45.49709 9.679013 39.68763 11.55974 5.809452       15.07683 
1 1 1 -24 10 37 o 34.74925 7.118515 70.83088       23.39764 71.26902       32.59155 70.36491       33.61049 32.57703 9.582857 32.14100 9.797076 0.4360275      13.70452 
1 1 1 -24 10 38 o 53.48002 4.924520 153.2509       25.48948 158.7064       35.87340 147.6882       36.22429 51.97458 7.248297 49.60173 7.711429 2.372852       10.58319 
1 1 1 -24 10 39 o 77.63342 4.646613 319.8979       35.14791 297.5053       42.59204 367.7000       62.22985 72.98150 6.015607 76.89799 8.404241 -3.916489      10.33532 
1 1 1 -24 10 40 o 23.41699 8.087778 34.29993       22.52442 39.82171       31.26267 28.33942       32.48092 24.59063 9.369190 22.40416 9.213488 2.186472       13.14040 
1 1 1 -24 10 41 f 13.13501 6.236914 -17.99920      21.69252 -21.14873      29.91179 -14.50501      31.50598 15.30658 7.283947 16.37300 7.695812 -1.066419      10.59629 
1 1 1 -24 10 42 o 26.23247 8.906731 46.36873       27.28892 47.21276       32.96236 44.53000       48.65173 25.97607 9.680188 25.36951 10.89676 0.6065655      14.57551 
1 1 1 -24 10 43 o 22.99868 8.916462 33.24806       28.65829 5.310000       56.12474 43.10144       33.33104 21.88000 10.28027 25.03766 9.640245 -3.157658      14.09320 
1 1 1 -24 10 44 o 44.81982 5.915452 113.5406       25.31863 130.0334       35.95409 97.31670       35.65963 45.09281 8.456396 37.26759 9.687366 7.825222       12.85907 
1 1 1 -24 10 45 o 20.22136 8.088639 22.19313       24.24517 32.70535       34.53195 11.97297       34.04887 22.96589 9.477844 19.77244 8.785254 3.193451       12.92324 
1 1 1 -24 10 46 o 18.75184 8.186220 11.44199       28.37234 44.87884       34.76030 -55.30000      49.11005 25.08472 9.793158 16.81913 8.296679 8.265583       12.83514 
1 1 1 -24 10 47 o 20.38829 8.221829 23.35699       25.26609 17.42747       37.02388 28.52535       34.56591 20.63890 9.166154 22.01296 9.310470 -1.374065      13.06534 
1 1 1 -24 10 48 o 19.62112 8.400141 18.18005       28.73684 2.508000       49.32460 26.23306       35.35735 20.26632 9.557685 21.49634 9.261915 -1.230015      13.30911 
1 1 1 -24 10 49 o 30.21942 8.674314 64.50478       27.00069 107.8566       39.71635 27.24999       36.81769 36.63507 10.52182 21.42298 9.339291 15.21210       14.06879 
1 1 1 -24 11 1  o 34.34699 3.944955 59.36269       13.02236 26.87697       22.71696 75.26263       15.89284 23.48809 8.121804 38.64261 4.273036 -15.15452      9.177284 
1 1 1 -24 11 2  o 55.02139 3.085535 150.0273       16.55102 132.6398       27.22398 160.2220       20.84591 51.01139 5.541202 56.69347 3.778043 -5.682087      6.706604 
1 1 1 -24 11 3  o 91.97496 2.954482 418.0656       26.56399 376.5116       39.72438 451.6775       35.72707 86.63380 4.702127 95.29048 3.838233 -8.656677      6.069763 
1 1 1 -24 11 4  f 66.82713 3.000616 220.9944       19.57764 232.3489       31.48561 213.8372       24.99766 67.96867 4.762713 65.48030 3.918079 2.488373       6.167234 
1 1 1 -24 11 5  o 42.29067 4.375085 90.14609       17.84955 65.88397       24.05009 119.9000       26.63326 35.18866 7.224594 48.38052 5.735475 -13.19186      9.224447 
1 1 1 -24 11 6  o 37.40627 5.136796 71.56709       18.31183 46.97624       24.51606 102.6000       27.54071 29.47719 8.199321 44.39433 6.533010 -14.91714      10.48375 
1 1 1 -24 11 7  o 41.77188 4.644396 88.35923       18.66908 71.06776       24.56546 112.0000       28.72366 36.58537 7.116054 46.41337 6.500522 -9.828003      9.638206 
1 1 1 -24 11 8  o 68.15322 4.811468 234.1290       31.89112 234.1290       31.89112 0.000000       0.000000 68.15322 4.811468 ?        ?        ?              ?        
1 1 1 -24 11 9  o 40.91825 4.516378 84.73501       17.78835 44.10000       44.53862 92.44701       19.40306 30.07036 11.24308 42.69693 4.721448 -12.62657      12.19422 
1 1 1 -24 11 10 o 21.36338 6.038994 23.91127       13.18642 7.894386       21.95553 32.94882       16.49227 18.47058 7.583164 24.89308 6.644559 -6.422504      10.08239 
1 1 1 -24 11 11 o 16.30077 6.041780 10.92771       12.80772 29.65875       21.65119 0.8448874      15.88517 24.04110 7.929935 14.66440 6.260918 9.376697       10.10361 
1 1 1 -24 11 12 o 27.66370 5.599041 40.11517       14.64012 42.98000       26.81017 38.89795       17.47569 28.20800 8.777373 26.97928 6.658621 1.228720       11.01724 
1 1 1 -24 11 13 o 89.66020 3.346541 399.3382       29.31833 412.1000       51.58946 393.2505       35.63149 89.70354 5.908403 88.63763 4.118113 1.065903       7.201950 
1 1 1 -24 11 14 o 20.64150 6.556273 21.85533       14.88387 1.344000       25.17683 32.87496       18.45388 18.15433 7.818722 24.79601 7.187626 -6.641676      10.62047 
1 1 1 -24 11 15 o 44.96121 3.906111 101.6140       17.02009 86.57833       26.59309 112.0463       22.15122 40.31972 6.991518 46.88865 4.898590 -6.568928      8.536833 
1 1 1 -24 11 16 o 39.22305 4.299702 78.00801       16.23743 57.64537       25.51179 91.87356       21.05194 32.33206 8.083492 42.28592 5.195219 -9.953857      9.609015 
1 1 1 -24 11 17 o 50.92134 3.667313 129.9071       18.15663 136.0444       28.38968 125.6594       23.61841 51.27858 5.755333 49.62054 4.927805 1.658039       7.576749 
1 1 1 -24 11 18 o 33.33832 5.215314 57.68292       16.46149 62.27090       26.00932 54.61697       21.26183 33.55572 8.026779 31.75982 7.025786 1.795902       10.66728 
1 1 1 -24 11 19 o 11.12159 5.228833 -14.28659      14.56074 -11.40391      21.22442 -16.84958      20.01294 14.56500 6.658191 13.29705 6.212423 1.267945       9.106356 
1 1 1 -24 11 20 o 61.56213 3.598687 189.7653       21.59067 161.0261       30.66904 218.0032       30.40036 55.74271 5.701110 65.45026 4.778191 -9.707546      7.438667 
1 1 1 -24 11 21 o 19.10503 6.869246 17.09841       16.37195 22.40300       22.84396 11.49629       23.47585 21.86292 8.075157 19.41918 7.890985 2.443741       11.29052 
1 1 1 -24 11 22 o 31.29078 5.932054 52.11782       17.50413 72.43878       24.61423 31.32671       24.89734 36.44839 7.154788 24.45118 8.500083 11.99721       11.11046 
1 1 1 -24 11 23 o 36.68644 5.267239 70.23460       18.37278 51.50856       25.23284 91.36588       26.80439 30.13994 8.293352 41.10250 6.907143 -10.96256      10.79298 
1 1 1 -24 11 24 f 26.20034 6.750112 37.80038       17.41783 24.20892       23.61480 54.01645       25.79430 22.25012 8.211672 30.69212 8.360939 -8.441998      11.71908 
1 1 1 -24 11 25 o 86.88963 4.122007 382.9415       34.95770 447.9000       70.65506 361.8858       40.22628 89.62566 8.142659 83.83797 4.923555 5.787689       9.515476 
1 1 1 -24 11 26 o 49.97462 5.613614 131.8620       26.98561 75.57000       52.73364 151.8332       31.40990 33.70655 12.29886 53.29906 6.132228 -19.59251      13.74286 
1 1 1 -24 11 27 o 27.29489 8.366737 43.57640       24.46838 46.53000       49.75906 42.63444       28.10056 28.59745 11.53606 26.94663 9.038249 1.650822       14.65505 
1 1 1 -24 11 28 o 30.74660 8.259460 56.09861       25.38323 27.06000       51.71349 65.31537       29.13433 25.82594 11.16459 32.80892 8.864073 -6.982981      14.25552 
1 1 1 -24 11 29 o 24.07452 8.529677 32.79019       25.15117 28.21000       50.61200 34.29219       28.98320 25.71902 11.08126 24.66807 9.098491 1.050943       14.33795 
1 1 1 -24 11 30 o 24.31022 7.380699 34.08907       19.10111 42.31090       24.74072 21.95662       30.05400 26.57197 8.454403 22.06388 8.942030 4.508089       12.30597 
1 1 1 -24 11 31 o 18.26661 7.179505 14.25093       18.78796 11.95238       22.98482 18.87897       32.61460 18.68854 7.724478 21.81531 9.124043 -3.126768      11.95474 
1 1 1 -24 11 32 o 21.29680 7.830060 24.33361       21.43688 15.25195       23.94429 61.01000       48.11857 19.51507 7.954622 29.69081 11.54188 -10.17574      14.01752 
1 1 1 -24 11 33 o 25.47882 8.093486 38.99617       22.68112 58.69068       26.22557 -19.45000      45.17836 30.88325 8.437754 19.46705 9.170423 11.41619       12.46163 
1 1 1 -24 11 34 o 46.91735 6.498065 123.3737       29.04153 125.2000       36.24804 120.1000       48.53103 45.37362 8.473114 40.52718 11.62824 4.846436       14.38783 
1 1 1 -24 11 35 o 30.24725 8.965264 58.79956       28.43689 81.84000       36.16684 21.49000       46.02304 34.70021 10.06339 23.45550 10.32716 11.24472       14.41950 
1 1 1 -24 11 36 f 17.31931 7.503316 5.798299       23.45852 4.578000       35.77652 6.718638       31.06985 19.79384 8.884973 19.17840 8.462935 0.6154480      12.27045 
1 1 1 -24 11 37 o 45.51741 6.333862 117.0375       27.45628 158.7123       34.32711 43.03000       45.74445 52.52771 6.838606 25.83982 10.80633 26.68789       12.78841 
1 1 1 -24 11 38 o 30.30178 7.741164 56.89829       23.04111 59.76029       32.75071 54.09348       32.42186 29.18139 9.757022 27.87758 9.699348 1.303812       13.75779 
1 1 1 -24 11 39 o 17.36476 7.412175 8.947670       22.25536 22.54502       31.15845 -5.214477      31.79898 21.30435 8.914729 17.45975 8.043335 3.844603       12.00698 
1 1 1 -24 11 40 o 33.62691 7.373252 68.67027       23.59892 83.70602       33.18015 53.27811       33.57111 34.92540 9.469613 27.39139 9.838023 7.534006       13.65505 
1 1 1 -24 11 41 o 26.10748 8.910690 45.75430       27.31823 51.51523       33.12722 33.51000       48.29539 26.94531 9.760236 24.06602 10.58812 2.879288       14.40036 
1 1 1 -24 11 42 o 22.75399 8.832668 31.96245       28.14908 46.64000       55.63910 26.91323       32.63364 25.71723 11.33768 22.04942 9.166849 3.667810       14.57992 
1 1 1 -24 11 43 o 19.69816 7.875977 20.13002       22.97703 41.72865       32.74255 -0.8261018     32.25186 24.75016 9.548127 17.92471 8.199159 6.825457       12.58543 
1 1 1 -24 11 44 o 17.19556 7.474010 7.323906       23.43170 8.816456       32.89156 5.785879       33.38890 19.23470 8.584867 18.92371 8.531224 0.3109818      12.10296 
1 1 1 -24 11 45 o 15.57070 7.256436 -9.696291      27.02899 -17.88315      32.77650 7.704000       47.78396 16.12313 7.658853 20.97034 9.730406 -4.847206      12.38301 
1 1 1 -24 11 46 o 12.83491 6.206794 -26.46642      23.77310 11.75336       33.95756 -63.20439      33.29277 19.64848 8.749206 13.01578 6.489909 6.632701       10.89346 
1 1 1 -24 11 47 o 19.68535 8.312118 18.87858       27.47519 -41.44000      43.76355 58.11946       35.29851 16.47121 8.065899 27.35753 10.04942 -10.88632      12.88602 
1 1 1 -24 11 48 o 12.30247 6.031582 -34.46368      24.69315 -60.67781      34.92752 -8.267925      34.91527 13.38856 6.671242 17.17058 8.080305 -3.782020      10.47840 
1 1 1 -24 11 49 o 20.10173 8.177252 23.95169       25.24247 28.35077       35.56621 19.48668       35.83177 21.46532 9.269131 20.25936 9.006343 1.205957       12.92405 
1 1 1 -24 12 1  o 52.69396 3.852348 138.7719       19.73247 150.4290       27.77940 126.9000       28.03419 54.39278 5.284167 49.69517 5.876833 4.697613       7.903138 
1 1 1 -24 12 2  o 54.30645 4.371309 148.2110       23.04026 110.4000       33.61869 181.7000       31.63904 45.48439 7.833788 59.74497 5.470897 -14.26058      9.555048 
1 1 1 -24 12 3  o 42.83548 4.400645 92.58826       18.18914 47.33185       24.84085 144.9000       26.70706 29.54446 8.266543 53.41269 5.172969 -23.86823      9.751684 
1 1 1 -24 12 4  o 95.71256 3.534035 455.0748       33.05214 419.6038       41.78067 514.4000       54.03293 91.38890 4.686280 100.7286 5.501118 -9.339745      7.226584 
1 1 1 -24 12 5  o 106.1262 3.609612 559.7611       37.44180 562.1899       48.28988 556.1000       59.28785 105.8130 4.673950 104.5159 5.818281 1.297066       7.463122 
1 1 1 -24 12 6  o 47.90687 4.308597 115.5093       19.98850 80.51582       25.96675 166.4000       31.31436 38.97973 7.065805 57.03940 5.684297 -18.05967      9.068453 
1 1 1 -24 12 7  o 17.14191 7.394615 0.1810816      22.59011 0.1810816      22.59011 0.000000       0.000000 17.14191 7.394615 ?        ?        ?              ?        
1 1 1 -24 12 8  o 37.47400 4.181312 70.91102       15.07628 59.00551       26.42812 76.65450       18.35609 32.86091 8.234011 38.75002 4.952567 -5.889111      9.608686 
1 1 1 -24 12 9  o 50.39309 3.442039 126.5622       16.87631 98.41357       27.41025 143.7471       21.41703 43.30522 6.681126 53.51911 4.120002 -10.21389      7.849322 
1 1 1 -24 12 10 o 17.31497 6.127073 13.68860       12.97434 7.814438       22.11993 16.76944       16.01935 18.47059 7.600354 19.10010 6.803243 -0.6295128     10.20047 
1 1 1 -24 12 11 o 59.12547 3.466186 174.1636       19.97210 165.9000       35.82512 177.8900       24.05741 56.41513 6.613005 59.52995 4.154720 -3.114822      7.809835 
1 1 1 -24 12 12 o 32.59131 5.092773 54.81292       15.71532 21.84000       27.44392 70.90025       19.16944 22.87017 8.762409 37.03008 5.451677 -14.15991      10.31991 
1 1 1 -24 12 13 o 80.20831 3.362229 319.9954       26.33835 346.7000       47.68850 308.2742       31.59419 82.10500 5.974756 78.40282 4.131473 3.702171       7.264074 
1 1 1 -24 12 14 o 25.74826 6.101132 35.31649       15.13971 21.27506       24.85125 43.60347       19.09154 22.15835 8.373976 28.42346 6.926465 -6.265106      10.86735 
1 1 1 -24 12 15 o 10.49080 4.974401 -15.62092      13.70526 -9.353848      22.74125 -19.19535      17.17457 15.49987 7.009217 11.73921 5.566989 3.760660       8.951005 
1 1 1 -24 12 16 o 86.15279 3.159227 368.8437       26.59624 369.6035       41.21728 368.3017       34.81388 85.30675 4.957526 85.61274 4.166911 -0.3059921     6.476126 
1 1 1 -24 12 17 o 14.65485 6.052525 4.203915       14.09670 -5.220008      22.44919 10.33888       18.11302 16.01003 7.122348 17.69612 7.019911 -1.686092      10.00035 
1 1 1 -24 12 18 o 11.61334 5.378755 -10.97082      14.49982 -12.21274      22.14969 -10.03950      19.18091 14.80765 6.781404 13.93031 6.353332 0.8773470      9.292592 
1 1 1 -24 12 19 o 25.61560 6.479978 35.44776       16.25663 21.11616       23.92011 47.74918       22.16121 21.77911 8.218945 29.39825 7.634363 -7.619141      11.21760 
1 1 1 -24 12 20 o 9.303660 4.595310 -32.44436      15.23547 -25.23790      21.85610 -39.25612      21.24914 13.00149 6.198049 11.38947 5.586263 1.612014       8.343988 
1 1 1 -24 12 21 o 16.80056 6.681550 9.271202       16.44878 10.78048       22.98025 7.685544       23.55456 19.09343 7.789041 18.61283 7.766981 0.4806004      10.99978 
1 1 1 -24 12 22 o 11.50001 5.424300 -15.92888      15.89845 -24.71311      21.95075 -6.236366      23.05769 13.06191 6.222539 15.93794 7.145179 -2.876029      9.474892 
1 1 1 -24 12 23 o 43.05756 4.597396 95.27174       19.07672 62.97259       26.33326 130.9429       27.67374 33.25747 8.153224 49.91621 5.770067 -16.65874      9.988430 
1 1 1 -24 12 24 o 59.87941 4.693719 184.1922       27.29093 226.5000       56.19910 171.1365       31.21907 62.26675 9.522911 57.10213 5.659889 5.164623       11.07791 
1 1 1 -24 12 25 o 29.07459 6.634101 46.79229       18.46174 26.40315       24.82572 72.01859       27.61399 22.76979 8.416702 35.34624 8.148308 -12.57644      11.71477 
1 1 1 -24 12 26 o 21.63123 8.204529 22.74324       23.90679 -7.651000      49.62931 31.92698       27.28050 22.07060 10.12372 24.25621 8.846714 -2.185606      13.44448 
1 1 1 -24 12 27 o 23.10570 8.347685 29.02037       24.21235 7.873000       50.32188 35.39090       27.61954 23.49631 10.54294 24.94341 8.927675 -1.447104      13.81510 
1 1 1 -24 12 28 o 53.24266 5.484357 150.6711       28.17353 135.8000       55.24569 155.8979       32.75256 43.64766 12.36862 53.43920 6.387887 -9.791534      13.92077 
1 1 1 -24 12 29 o 44.84694 6.396390 110.6420       27.28374 45.20000       49.72379 138.8328       32.63545 27.75029 11.40453 49.91076 6.861603 -22.16046      13.30958 
1 1 1 -24 12 30 o 18.84003 8.426917 0.2303477      31.87432 63.68000       47.34939 -52.35000      43.10340 30.37905 11.54091 16.71935 8.147697 13.65969       14.12719 
1 1 1 -24 12 31 f 16.15338 7.092978 0.9737094      21.57643 0.9526134      24.68512 1.042000       44.41361 17.06606 7.536575 21.35485 9.711646 -4.288799      12.29293 
1 1 1 -24 12 32 o 18.74433 7.370316 15.59869       19.80700 10.30712       25.33478 23.91808       31.76661 18.80486 7.963034 22.42718 9.154489 -3.622316      12.13320 
1 1 1 -24 12 33 o 26.48886 8.661626 43.44848       25.85365 43.33000       31.78790 43.68000       44.43578 26.27306 9.554542 26.61242 10.84060 -0.3393631     14.45019 
1 1 1 -24 12 34 o 41.67919 7.180955 100.6029       28.23868 105.9000       35.52422 91.51000       46.54298 40.89123 9.108894 34.83602 11.63114 6.055210       14.77347 
1 1 1 -24 12 35 o 58.99239 5.135995 186.4959       29.36164 161.5057       35.15836 244.1000       53.37904 53.06550 6.934525 62.46791 8.988275 -9.402409      11.35239 
1 1 1 -24 12 36 o 34.62564 7.884741 73.11900       26.12292 67.67943       31.05910 86.27000       48.29316 31.89424 9.347510 33.00068 11.80592 -1.106443      15.05841 
1 1 1 -24 12 37 o 25.31487 8.276688 40.53847       23.60709 59.65000       36.75207 27.11461       30.80157 28.79364 10.29928 22.26553 9.041995 6.528112       13.70521 
1 1 1 -24 12 38 o 27.42321 8.534686 49.02567       25.34688 58.52391       31.09037 30.20000       43.77031 29.07264 9.497917 23.62156 10.24140 5.451080       13.96770 
1 1 1 -24 12 39 o 28.84641 7.796152 52.33931       22.53258 42.03437       31.08657 63.74649       32.70689 25.02876 9.385798 29.91564 9.739601 -4.886885      13.52601 
1 1 1 -24 12 40 o 30.02151 8.722612 59.70673       27.14886 72.67259       32.90107 32.04000       48.06048 32.15890 9.670132 23.98512 10.55707 8.173775       14.31654 
1 1 1 -24 12 41 o 15.45172 7.217967 -11.53544      26.99865 -23.42000      55.05934 -7.773190      30.97871 19.76890 9.531736 16.87020 7.830240 2.898706       12.33558 
1 1 1 -24 12 42 o 18.12894 7.605452 12.95389       22.76701 21.54798       32.53923 4.711674       31.86614 21.07037 8.977270 18.53198 8.346300 2.538393       12.25774 
1 1 1 -24 12 43 o 23.99495 8.216002 37.14088       23.22868 23.70851       33.41883 49.69656       32.30986 21.47779 9.122391 26.41149 9.628492 -4.933701      13.26371 
1 1 1 -24 12 44 o 33.86672 8.728258 76.60486       29.11554 109.6531       36.23604 16.40000       48.90826 39.94065 9.422223 21.98148 10.07056 17.95918       13.79110 
1 1 1 -24 12 45 o 24.76928 8.448401 40.92948       24.55649 -6.304455      34.46785 89.61750       34.99437 17.59558 8.198181 35.18811 9.799127 -17.59252      12.77627 
1 1 1 -24 12 46 o 22.67698 8.684438 33.44344       26.94946 91.64000       44.32188 -0.6933069     33.94537 32.66018 11.34185 18.01940 8.304474 14.64078       14.05709 
1 1 1 -24 12 47 o 23.01636 8.483716 35.53577       25.19180 11.31122       35.81881 59.24722       35.43744 19.54296 8.820943 27.40209 10.06860 -7.859129      13.38603 
1 1 1 -24 12 48 o 16.32988 7.376687 2.184135       25.10935 -75.94660      35.30259 82.17821       35.72108 12.67645 6.372361 32.07087 10.15331 -19.39442      11.98735 
1 1 1 -24 12 49 o 19.56674 8.126333 21.73125       25.60823 53.36561       37.06997 -7.145677      35.41752 25.32750 10.04410 17.11837 8.080963 8.209126       12.89131 
1 1 1 -24 13 1  o 75.05933 4.233424 282.2026       30.97695 287.5000       53.96925 279.6000       37.82875 73.96100 7.561101 74.26340 5.237639 -0.3024063     9.197994 
1 1 1 -24 13 2  o 70.94462 3.580734 250.5416       24.78513 211.9787       32.63473 303.1000       38.09925 64.63129 5.202508 77.42396 5.054943 -12.79266      7.253864 
1 1 1 -24 13 3  o 44.99076 4.277870 101.9894       18.61255 61.88541       25.37433 148.7000       27.38472 33.78436 7.826819 54.04757 5.242130 -20.26321      9.420139 
1 1 1 -24 13 4  o 50.90215 4.075762 130.0110       20.13770 128.6526       28.32143 131.4000       28.63926 49.97301 5.903785 50.50996 5.903905 -0.5369415     8.349298 
1 1 1 -24 13 5  o 17.75851 7.468336 4.454175       22.03747 4.454175       22.03747 0.000000       0.000000 17.75851 7.468336 ?        ?        ?              ?        
1 1 1 -24 13 6  f 30.82788 5.394683 49.35825       15.68591 86.81000       44.24711 43.97495       16.77542 38.72169 11.10094 28.84543 6.130565 9.876265       12.68127 
1 1 1 -24 13 7  o 17.10506 6.118725 13.11160       12.97171 -25.85531      23.09384 31.07240       15.67874 13.55202 6.435007 24.17240 6.490409 -10.62037      9.139733 
1 1 1 -24 13 8  o 40.42385 3.900831 82.16285       15.24331 74.06521       25.77665 86.51752       18.90275 37.15252 7.348531 41.22683 4.772265 -4.074310      8.762158 
1 1 1 -24 13 9  o 23.31008 6.102073 28.81649       14.08314 -4.112000      26.94758 41.18937       16.51845 17.85001 7.878944 27.85026 6.217058 -10.00025      10.03641 
1 1 1 -24 13 10 o 60.53067 3.491048 182.6548       20.59640 153.2000       38.19869 194.7281       24.45596 53.68635 7.471212 62.31897 4.030826 -8.632622      8.489202 
1 1 1 -24 13 11 o 95.89943 3.386783 457.3435       31.74149 482.2000       57.94073 446.6849       37.94143 96.74600 6.150339 94.41875 4.115224 2.327255       7.400117 
1 1 1 -24 13 12 o 62.43882 3.525555 194.5378       21.45954 201.4000       38.82654 191.5195       25.75006 62.16172 6.476003 61.66717 4.292774 0.4945564      7.769590 
1 1 1 -24 13 13 o 17.86226 6.418280 14.46049       14.29027 17.55484       23.98397 12.75733       17.79359 21.06813 8.159977 18.28303 7.042540 2.785107       10.77880 
1 1 1 -24 13 14 o 21.48235 6.386589 24.33157       14.41352 31.00474       24.02409 20.57866       18.01625 24.49501 8.356284 20.61334 7.226323 3.881664       11.04750 
1 1 1 -24 13 15 o 28.48648 5.707455 42.86731       15.35927 40.11427       25.28385 44.47742       19.33588 27.11158 8.536813 28.63338 6.966362 -1.521799      11.01850 
1 1 1 -24 13 16 o 44.26529 4.106216 99.02995       17.58864 108.8338       28.92222 93.27639       22.15660 45.29241 6.727881 42.44148 5.459757 2.850925       8.664487 
1 1 1 -24 13 17 o 23.77825 6.510686 30.40437       15.59483 17.19992       24.32439 39.61961       20.32054 20.96429 8.189997 26.90014 7.458187 -5.935858      11.07703 
1 1 1 -24 13 18 o 52.06063 3.805132 136.3258       19.25643 142.8860       29.32136 131.3504       25.53499 52.39254 5.815368 50.49365 5.242675 1.898891       7.829696 
1 1 1 -24 13 19 o 10.12826 4.905563 -23.29879      14.99763 -17.71675      22.13364 -28.03732      20.39285 14.00406 6.539631 12.08926 5.821865 1.914798       8.755620 
1 1 1 -24 13 20 o 9.778276 4.783676 -27.71754      15.27992 -31.44108      22.29965 -24.42201      20.97892 12.51532 6.042220 12.71518 6.064573 -0.1998510     8.560810 
1 1 1 -24 13 21 o 41.51643 4.643849 88.50584       18.54849 84.07022       27.15524 92.38540       25.39610 39.13965 7.358153 41.57111 6.450113 -2.431461      9.785007 
1 1 1 -24 13 22 o 17.97450 6.871284 13.38757       16.85116 35.92043       23.72155 -9.566506      23.94225 25.45594 8.295033 15.69000 7.133474 9.765945       10.94048 
1 1 1 -24 13 23 o 50.79374 4.202731 131.5356       20.70841 117.4657       29.54703 145.1192       29.03200 46.61407 6.665273 52.49176 5.744076 -5.877689      8.798879 
1 1 1 -24 13 24 o 25.59245 6.940681 36.60180       17.82211 4.838793       24.26061 73.83675       26.26736 18.00248 7.712941 36.10555 7.669514 -18.10307      10.87708 
1 1 1 -24 13 25 o 80.85662 4.146862 333.3396       32.71058 383.5000       64.33056 315.8484       37.98804 82.34289 8.085663 77.99553 5.002262 4.347359       9.507921 
1 1 1 -24 13 26 o 37.35512 5.693719 75.00353       20.16138 55.64574       27.77379 96.56707       29.31347 30.33969 8.824572 41.19852 7.547115 -10.85884      11.61172 
1 1 1 -24 13 27 o 35.79815 7.785024 74.45642       26.50010 59.32000       51.13747 80.01357       30.98515 30.09900 11.84028 36.36140 8.801324 -6.262396      14.75315 
1 1 1 -24 13 28 o 42.22626 6.724937 99.30014       26.86427 31.14000       48.79790 128.9410       32.17966 25.77705 10.98847 47.91488 7.073717 -22.13783      13.06843 
1 1 1 -24 13 29 o 22.73791 9.141007 25.11705       31.12685 9.499000       46.08403 38.22000       42.21060 22.64720 10.13103 26.06644 10.58517 -3.419245      14.65208 
1 1 1 -24 13 30 o 19.51255 8.527759 6.859406       30.86334 0.9263000      46.04432 11.70000       41.58956 21.63018 9.856817 22.12907 9.777020 -0.4988899     13.88333 
1 1 1 -24 13 31 o 12.81859 6.240194 -35.82538      25.09928 -90.91000      47.41708 -14.38339      29.58368 15.53545 7.746093 16.35592 7.612039 -0.8204699     10.86025 
1 1 1 -24 13 32 o 16.78082 7.328283 2.977547       22.75391 -17.83000      33.13920 21.53660       31.29749 16.88767 7.923497 21.85409 9.021434 -4.966421      12.00700 
1 1 1 -24 13 33 o 37.39904 6.828676 80.16144       24.07704 78.91000       34.57856 81.33919       33.54511 34.37468 9.800174 35.23468 9.507974 -0.8599968     13.65449 
1 1 1 -24 13 34 o 15.46605 7.016575 -4.933177      23.01134 -15.24734      27.10329 21.70000       43.55284 15.37405 7.198020 23.11863 10.11641 -7.744576      12.41584 
1 1 1 -24 13 35 o 25.29781 8.486572 39.97194       24.77475 42.27378       29.90925 34.94000       44.22171 25.69303 9.278521 24.82857 10.51748 0.8644562      14.02527 
1 1 1 -24 13 36 o 22.99784 8.448003 31.89665       24.94504 40.11238       30.08692 13.83000       44.61628 24.98134 9.259966 21.97921 9.889337 3.002127       13.54791 
1 1 1 -24 13 37 o 14.34329 6.738320 -14.61104      24.09978 -17.40565      28.59266 -7.755000      44.78483 15.34930 7.250351 19.66334 9.221119 -4.314036      11.73016 
1 1 1 -24 13 38 o 26.97097 8.320244 47.16809       24.14992 43.48000       36.42543 50.06075       32.25914 25.26134 9.975781 26.77556 9.640476 -1.514223      13.87282 
1 1 1 -24 13 39 o 16.79180 7.720165 -5.244412      29.09045 -5.244412      29.09045 0.000000       0.000000 16.79180 7.720165 ?        ?        ?              ?        
1 1 1 -24 13 40 o 20.07045 8.363299 19.02337       27.25328 29.74000       54.29190 15.41333       31.51101 23.92751 10.82422 20.05258 8.691844 3.874928       13.88207 
1 1 1 -24 13 41 o 17.05170 7.342931 7.890908       22.20064 -11.80711      31.59532 27.10065       31.20127 16.56846 7.761877 21.92944 9.025469 -5.360977      11.90403 
1 1 1 -24 13 42 o 26.03532 8.113957 44.01159       22.90088 32.92239       32.32663 55.18364       32.44717 22.99251 9.289980 27.64650 9.697359 -4.653986      13.42917 
1 1 1 -24 13 43 o 20.90095 8.414270 24.28732       26.41383 1.724356       32.94538 64.89000       44.19506 18.31277 8.342226 28.25776 11.03945 -9.944983      13.83698 
1 1 1 -24 13 44 o 22.74756 8.279263 33.16637       23.87538 20.11994       33.53457 46.57746       34.00001 20.76579 8.983836 25.40990 9.748602 -4.644114      13.25687 
1 1 1 -24 13 45 o 26.94611 8.899030 50.36799       27.26362 41.70000       43.90457 55.80827       34.78255 24.43012 10.41890 27.22199 9.979653 -2.791866      14.42730 
1 1 1 -24 13 46 o 20.53154 8.116164 24.78570       24.13304 19.65581       34.25663 29.84001       34.00331 20.54226 8.980912 22.07721 9.280277 -1.534948      12.91435 
1 1 1 -24 13 47 o 19.16287 7.934463 19.07270       24.30987 17.14259       34.92654 20.88643       33.85710 20.04697 8.903038 20.45752 8.936456 -0.4105473     12.61445 
1 1 1 -24 13 48 o 30.12467 8.451020 63.38237       25.92588 78.32991       36.95443 48.89452       36.38176 30.57977 10.36493 24.71960 9.901479 5.860167       14.33426 
1 1 1 -24 14 1  o 38.61108 5.572641 77.07695       20.45227 84.15000       44.02177 75.13000       23.09624 38.05289 11.12182 37.77199 6.480128 0.2809029      12.87195 
1 1 1 -24 14 2  o 51.99080 4.832396 137.1184       24.31055 101.8000       46.89251 150.1000       28.42943 41.72798 11.23346 54.17039 5.435016 -12.44241      12.47918 
1 1 1 -24 14 3  o 61.62310 3.814250 189.8400       22.89418 185.8998       31.25764 194.4000       33.62650 60.37397 5.344472 61.61031 5.638436 -1.236336      7.768870 
1 1 1 -24 14 4  o 62.05809 8.885788 209.6000       52.43753 209.6000       52.43753 0.000000       0.000000 62.05809 8.885788 ?        ?        ?              ?        
1 1 1 -24 14 5  o 68.17739 3.089499 230.6291       20.56386 215.5000       33.80290 239.5177       25.90977 65.01408 5.359336 69.22771 3.838673 -4.213623      6.592260 
1 1 1 -24 14 6  o 36.90005 4.102231 68.81858       14.56662 62.35375       26.07411 71.75172       17.56293 33.75217 8.012740 37.43982 4.910711 -3.687653      9.397823 
1 1 1 -24 14 7  o 32.46561 4.659248 53.98695       14.38254 42.27034       25.29140 59.58696       17.48502 27.88054 8.498590 33.87753 5.458321 -5.996981      10.10046 
1 1 1 -24 14 8  o 46.49426 3.814435 108.4733       17.20695 75.55000       31.87694 122.0110       20.44071 36.76476 8.944593 49.17290 4.289721 -12.40815      9.920053 
1 1 1 -24 14 9  o 42.34641 4.074533 90.45156       16.68065 90.76000       31.99763 90.33646       19.54683 40.65191 8.321840 42.06890 4.834668 -1.416996      9.624294 
1 1 1 -24 14 10 o 38.34698 4.458182 74.79453       16.42222 106.0000       32.07177 63.70522       19.11876 44.32580 7.669477 34.89394 5.801232 9.431862       9.616401 
1 1 1 -24 14 11 o 31.35481 5.112202 50.96822       15.14975 18.21931       25.91800 67.96480       18.67170 21.64728 8.454834 36.18928 5.439151 -14.54200      10.05329 
1 1 1 -24 14 12 o 18.80809 6.517843 17.02965       14.63369 -41.63850      25.44884 46.01128       17.88662 12.88423 6.274696 29.31835 6.411777 -16.43412      8.971215 
1 1 1 -24 14 13 o 32.08022 5.154191 53.43656       15.63662 53.19778       26.53877 53.56353       19.35255 30.86207 8.510441 31.64614 6.466231 -0.7840710     10.68830 
1 1 1 -24 14 14 o 36.13946 4.667498 66.92174       16.12576 72.11120       26.80080 63.97686       20.18924 36.23992 7.787446 34.77061 6.157324 1.469311       9.927586 
1 1 1 -24 14 15 o 16.55987 6.387720 10.22645       14.65315 13.33100       24.28774 8.449716       18.37379 20.10011 8.076660 17.28275 6.996302 2.817354       10.68554 
1 1 1 -24 14 16 o 80.64362 3.226908 323.8830       25.42055 315.6364       38.90483 330.0267       33.58022 78.61244 5.083239 80.89357 4.255924 -2.281128      6.629646 
1 1 1 -24 14 17 o 23.41418 6.626305 29.57441       15.86670 27.49850       24.51202 31.07150       20.81608 23.44595 8.408243 24.08517 7.764337 -0.6392193     11.44480 
1 1 1 -24 14 18 o 15.14951 6.290903 4.420355       15.34366 -1.039146      23.55970 8.441605       20.21966 17.00493 7.440838 17.78848 7.287271 -0.7835484     10.41491 
1 1 1 -24 14 19 o 28.38017 6.422077 43.63904       17.42219 48.59087       26.09487 39.65651       23.40192 29.27958 8.564346 26.70803 8.181532 2.571548       11.84422 
1 1 1 -24 14 20 o 21.67859 6.923606 24.96411       16.57990 15.22051       24.26964 33.49088       22.70366 20.30854 8.103025 24.78579 8.117557 -4.477251      11.46969 
1 1 1 -24 14 21 o 13.15693 5.894705 -4.948861      15.66639 -28.74325      22.50155 17.43653       21.82517 12.80453 6.153262 20.20151 7.794887 -7.396979      9.930906 
1 1 1 -24 14 22 o 40.24402 4.845700 84.04297       18.70452 72.71304       26.57619 95.16387       26.32989 35.85809 7.794704 41.88244 6.644163 -6.024349      10.24218 
1 1 1 -24 14 23 o 31.79417 6.170484 54.97538       18.51042 48.18050       25.86263 62.11174       26.50455 28.70857 8.559916 32.68600 8.277055 -3.977438      11.90722 
1 1 1 -24 14 24 o 29.37455 6.551114 47.86985       18.35628 34.26574       25.43952 62.64646       26.51314 24.72414 8.592300 32.70392 8.276649 -7.979782      11.93024 
1 1 1 -24 14 25 o 29.86912 6.645440 49.93350       18.92790 52.80503       26.32654 46.86091       27.23263 29.69226 8.578424 27.94711 8.867375 1.745157       12.33773 
1 1 1 -24 14 26 o 21.55952 7.476464 25.25433       19.25627 26.32801       26.68884 24.08850       27.81075 22.62744 8.648078 22.27831 8.741359 0.3491344      12.29637 
1 1 1 -24 14 27 o 39.11785 7.067543 86.51035       26.06565 27.83000       47.19321 112.2688       31.26751 25.17647 10.77133 44.34295 7.468963 -19.16648      13.10752 
1 1 1 -24 14 28 o 18.10753 8.181816 -3.708107      30.91298 -1.576000      44.57912 -5.683000      42.90410 21.22460 9.682273 20.49644 9.405801 0.7281590      13.49872 
1 1 1 -24 14 29 o 39.24294 8.739776 94.11552       32.70975 68.04000       48.12775 116.5000       44.59154 30.98511 11.66583 41.46455 10.85984 -10.47944      15.93825 
1 1 1 -24 14 30 o 13.20378 6.359541 -28.67130      24.35508 -67.19000      45.40517 -13.11206      28.85784 16.26818 8.015861 16.29051 7.559896 -0.2233315E-01 11.01844 
1 1 1 -24 14 31 o 47.21385 7.587473 129.7666       33.87719 0.000000       0.000000 129.7666       33.87719 ?        ?        47.21385 7.587473 ?              ?        
1 1 1 -24 14 32 o 21.71484 8.142254 25.90065       23.39358 -2.411000      34.26139 50.62809       32.01931 18.76916 8.533403 27.80843 9.641008 -9.039274      12.87509 
1 1 1 -24 14 33 o 34.64307 6.773769 69.04586       22.14616 57.31877       29.65969 83.82211       33.29305 29.60794 9.235028 35.83149 9.383307 -6.223555      13.16557 
1 1 1 -24 14 34 o 13.63662 6.323825 -10.68812      20.13820 0.9524102      27.42679 -24.30519      29.66405 17.50224 7.823557 15.13482 7.216641 2.367423       10.64368 
1 1 1 -24 14 35 o 16.76464 7.387547 2.947877       23.59809 -12.66719      28.10106 40.30000       43.46188 15.84228 7.388310 25.32561 10.55792 -9.483331      12.88630 
1 1 1 -24 14 36 o 14.51143 6.784434 -12.89979      23.93539 -30.20813      28.81312 25.64000       42.99493 14.21525 6.864219 23.01194 10.06098 -8.796689      12.17953 
1 1 1 -24 14 37 o 46.69287 6.401987 124.7982       28.49023 114.2882       34.34203 148.0000       51.02536 42.33357 8.581851 43.63536 11.70538 -1.301788      14.51427 
1 1 1 -24 14 38 o 18.39247 7.812976 12.20024       24.51911 14.59200       28.67563 5.697000       47.28445 19.53358 8.377500 21.07110 9.742991 -1.537518      12.84945 
1 1 1 -24 14 39 o 35.67776 9.499716 87.61864       33.76287 0.000000       0.000000 87.61864       33.76287 ?        ?        35.67776 9.499716 ?              ?        
1 1 1 -24 14 40 o 16.17180 7.343132 -2.146427      25.27019 12.55349       31.40393 -29.15000      42.56349 19.55187 8.572054 17.35721 8.371836 2.194656       11.98198 
1 1 1 -24 14 41 o 11.84220 5.776237 -30.42645      21.80381 -17.71173      30.94742 -42.95848      30.72429 15.77012 7.476892 13.62666 6.690392 2.143460       10.03321 
1 1 1 -24 14 42 o 23.05607 8.636011 34.06603       26.30227 35.29842       33.08662 31.95000       43.35498 23.40400 9.418934 23.32920 10.15293 0.7479286E-01  13.84913 
1 1 1 -24 14 43 o 15.81500 7.110950 -0.4143110E-01 23.02394 9.044535       33.35424 -8.311448      31.82136 19.23485 8.610689 16.87645 7.867806 2.358402       11.66389 
1 1 1 -24 14 44 o 18.04292 7.832187 10.37849       25.66265 46.33000       41.58499 -11.73392      32.61340 25.05660 10.37642 16.62909 7.820474 8.427513       12.99345 
1 1 1 -24 14 45 o 19.54120 7.958605 20.07912       23.94418 30.73135       33.95628 9.544138       33.76888 22.30337 9.317663 19.18151 8.619305 3.121857       12.69296 
1 1 1 -24 14 46 o 20.65872 8.154570 25.73549       24.32980 62.28644       34.86777 -8.947365      33.96505 28.08389 10.03332 16.98312 7.985065 11.10077       12.82298 
1 1 1 -24 14 47 o 15.95086 7.214922 1.249723       24.11307 9.997398       33.87244 -7.738129      34.33430 18.86620 8.540680 16.99771 8.003244 1.868492       11.70449 
1 1 1 -24 14 48 o 23.93805 8.532816 41.03813       25.20434 64.57266       35.95581 18.30181       35.34079 27.64894 10.14486 19.90060 8.889276 7.748339       13.48842 
1 1 1 -24 15 1  o 77.85041 4.331824 304.7567       32.87926 366.8000       58.63462 276.3000       39.70990 83.50464 7.245232 73.48064 5.562337 10.02399       9.134166 
1 1 1 -24 15 2  o 94.06757 7.524342 467.4000       68.70387 467.4000       68.70387 0.000000       0.000000 94.06757 7.524342 ?        ?        ?              ?        
1 1 1 -24 15 3  o 62.82418 3.572537 197.0016       21.87842 235.7000       53.23070 189.1354       23.99923 66.00435 8.431415 61.39586 4.015521 4.608486       9.338799 
1 1 1 -24 15 4  o 69.33915 3.480368 239.6381       23.54611 214.3000       54.67836 245.4065       26.08903 62.30610 9.245585 70.04221 3.819784 -7.736111      10.00358 
1 1 1 -24 15 5  o 13.72056 6.026155 -2.658765      15.58252 -0.7026342     25.24356 -3.863000      19.80648 17.78626 7.743852 15.27724 6.748555 2.509017       10.27182 
1 1 1 -24 15 6  o 96.70513 3.138276 464.2197       29.66685 398.3908       45.50250 512.8920       39.12626 88.44085 5.280292 101.2387 3.955962 -12.79790      6.597812 
1 1 1 -24 15 7  o 49.57801 4.643417 124.7979       22.27152 89.30000       33.53830 152.8000       29.78761 40.02392 8.800848 54.44242 5.672862 -14.41851      10.47073 
1 1 1 -24 15 8  o 71.10375 3.317232 251.6948       23.02374 244.8000       43.54333 254.3705       27.12586 68.45924 6.578953 71.25074 3.904369 -2.791496      7.650276 
1 1 1 -24 15 9  o 68.25119 3.421075 232.2608       22.78202 230.8000       43.15414 232.8253       26.82469 66.32157 6.741119 68.08700 4.043191 -1.765427      7.860667 
1 1 1 -24 15 10 o 20.14883 6.381095 20.94963       14.10805 32.46895       25.43064 15.82817       16.95667 25.01453 8.595584 18.92092 6.962674 6.093611       11.06178 
1 1 1 -24 15 11 o 20.20050 6.402753 21.08254       14.20140 27.47889       25.06967 18.06007       17.23310 23.64350 8.500375 19.65586 7.050003 3.987638       11.04350 
1 1 1 -24 15 12 o 34.65203 4.802476 61.77566       15.85189 38.83601       26.96565 73.88906       19.59524 26.80030 8.850240 37.69882 5.469820 -10.89852      10.40412 
1 1 1 -24 15 13 o 53.36468 3.703151 142.8676       19.22336 115.4133       31.44150 159.2567       24.29274 46.40615 7.151233 56.05378 4.464431 -9.647621      8.430378 
1 1 1 -24 15 14 f 57.32737 3.586506 164.6203       20.02435 177.4966       33.06271 157.1610       25.16467 58.45538 5.857221 55.56801 4.669743 2.887363       7.490897 
1 1 1 -24 15 15 o 29.72695 5.897041 47.00995       16.55295 41.38482       26.51409 50.60272       21.18971 27.35069 8.757615 30.36469 7.233067 -3.014000      11.35839 
1 1 1 -24 15 16 o 14.81466 6.250529 2.762813       15.51649 20.19371       24.45400 -8.984815      20.07544 21.58857 8.271345 14.41441 6.545094 7.174154       10.54767 
1 1 1 -24 15 17 o 14.31288 6.140892 0.8402445      15.41936 20.55937       23.88325 -13.25360      20.19130 21.53085 8.192503 13.80514 6.377436 7.725713       10.38214 
1 1 1 -24 15 18 o 15.24342 6.361287 4.197347       15.80133 -31.03730      24.18971 30.42241       20.86912 13.27538 6.379628 23.79395 7.782084 -10.51858      10.06283 
1 1 1 -24 15 19 o 39.38992 4.839355 80.22758       18.26693 44.94784       27.48911 108.1257       24.44473 28.07866 8.909023 45.41605 5.618526 -17.33739      10.53274 
1 1 1 -24 15 20 o 49.46634 4.198854 124.6857       20.13852 116.0689       29.67408 132.0429       27.41967 46.32555 6.741780 50.11535 5.690275 -3.789795      8.822178 
1 1 1 -24 15 21 o 13.89723 6.151318 -2.875160      16.53608 -5.695081      23.57237 -0.1428998     23.20309 16.06108 7.210526 16.84192 7.376531 -0.7808399     10.31528 
1 1 1 -24 15 22 o 24.48957 7.059155 33.55562       17.84626 22.17699       25.29134 44.83950       25.18582 21.78797 8.395274 27.74876 8.485221 -5.960787      11.93648 
1 1 1 -24 15 23 o 39.72581 5.089514 82.96143       19.33640 61.45127       27.16684 105.0479       27.52836 32.22388 8.494252 43.79848 6.628204 -11.57460      10.77429 
1 1 1 -24 15 24 o 24.90663 7.232352 35.39748       18.66940 11.84841       26.30755 59.28964       26.49850 19.61268 8.198050 31.51998 8.426455 -11.90730      11.75641 
1 1 1 -24 15 25 o 22.01470 7.443590 26.80647       19.05832 25.25567       26.19236 28.55134       27.78299 22.30823 8.556953 23.23767 8.837466 -0.9294415     12.30131 
1 1 1 -24 15 26 o 20.38403 7.469982 21.36580       19.48519 -25.80926      25.99419 81.87105       29.43856 14.13721 6.744994 37.07088 8.317924 -22.93368      10.70901 
1 1 1 -24 15 27 o 24.65598 8.199946 35.71733       23.13733 18.09159       26.71760 88.58000       46.26987 20.70393 8.416292 35.24188 11.59101 -14.53795      14.32430 
1 1 1 -24 15 28 o 53.76547 7.019345 163.0780       36.05956 100.5000       49.84307 231.8000       52.23265 36.85659 12.02494 61.92886 8.869666 -25.07227      14.94223 
1 1 1 -24 15 29 o 25.52070 8.623977 39.55624       25.58193 46.89000       48.79369 36.77617       30.04191 27.39824 11.28254 24.87300 9.246771 2.525248       14.58761 
1 1 1 -24 15 30 o 34.38883 9.279701 75.72928       31.95376 0.000000       0.000000 75.72928       31.95376 ?        ?        34.38883 9.279701 ?              ?        
1 1 1 -24 15 31 o 40.98974 8.627746 103.6048       33.51911 0.000000       0.000000 103.6048       33.51911 ?        ?        40.98974 8.627746 ?              ?        
1 1 1 -24 15 32 o 15.14526 7.069609 -14.05812      25.82275 -13.89000      49.30443 -14.12167      30.31275 20.38430 9.595561 16.41946 7.662812 3.964838       12.27980 
1 1 1 -24 15 33 o 10.05203 5.013990 -45.93708      19.95079 -59.14540      27.29319 -30.78113      29.23628 11.76711 5.868691 14.41578 6.949444 -2.648678      9.095950 
1 1 1 -24 15 34 o 38.83170 6.088348 84.63230       22.38139 98.59990       31.47813 70.35168       31.82891 39.86309 8.335917 32.33972 9.458383 7.523373       12.60748 
1 1 1 -24 15 35 o 14.19201 6.486315 -6.220520      20.12889 1.862864       27.46411 -15.60211      29.58742 17.47008 7.817608 15.84588 7.451106 1.624205       10.79972 
1 1 1 -24 15 36 o 18.43853 7.763008 12.78280       23.85301 14.01717       28.10522 9.604000       45.10201 19.42017 8.310556 21.30098 9.725443 -1.880808      12.79256 
1 1 1 -24 15 37 o 24.97166 8.513663 40.71972       24.93687 20.55510       29.35856 92.95000       47.24990 20.63549 8.645406 33.23890 11.69870 -12.60341      14.54657 
1 1 1 -24 15 38 o 35.38296 8.032662 78.77604       27.18204 63.83208       33.01874 110.2000       47.88044 29.83927 9.790389 36.57175 11.77435 -6.732489      15.31297 
1 1 1 -24 15 39 o 37.96540 7.787099 89.64793       27.96638 59.48415       34.14706 151.1000       48.73925 28.44006 9.950169 44.55619 11.19179 -16.11613      14.97538 
1 1 1 -24 15 40 o 17.68381 7.465808 11.42306       22.15955 -10.70651      31.42191 33.31874       31.25543 16.59892 7.764617 23.01608 9.191479 -6.417158      12.03215 
1 1 1 -24 15 41 o 26.29256 8.768623 46.86000       26.45413 46.79891       32.99237 46.97000       44.27039 25.68172 9.661051 25.41238 10.62942 0.2693367      14.36386 
1 1 1 -24 15 42 o 20.77753 8.007662 25.11391       23.01338 44.36793       33.59507 8.090511       31.58915 25.09914 9.674567 18.84821 8.412722 6.250925       12.82073 
1 1 1 -24 15 43 o 21.85922 8.460078 29.64714       25.76620 -22.50000      43.31281 58.20935       32.05509 17.77003 8.538828 28.09480 9.650528 -10.32476      12.88582 
1 1 1 -24 15 44 o 17.03655 7.456778 6.905402       23.67551 1.067368       35.18766 11.73449       32.00292 18.46708 8.490522 19.28482 8.545671 -0.8177433     12.04647 
1 1 1 -24 15 45 o 17.35238 7.560635 8.967808       24.10155 -21.17665      34.74053 36.93889       33.46473 16.06996 7.702287 23.21014 9.425086 -7.140175      12.17200 
1 1 1 -24 15 46 o 18.74147 7.848537 17.25002       24.18017 16.65892       34.92164 17.79441       33.51366 19.92208 8.871691 19.92578 8.791239 -0.3702164E-02 12.48971 
1 1 1 -24 15 47 o 30.27308 8.255630 63.17281       25.13289 55.69575       36.04485 70.24771       35.06209 25.93893 10.01505 29.17160 10.08997 -3.232670      14.21650 
1 1 1 -24 16 1  o 68.55079 5.902692 242.6000       39.22138 0.000000       0.000000 242.6000       39.22138 ?        ?        68.55079 5.902692 ?              ?        
1 1 1 -24 16 2  o 72.28974 4.571774 264.1361       32.18380 208.7000       55.19097 292.7000       39.61692 61.09634 9.540528 75.65655 5.384881 -14.56021      10.95530 
1 1 1 -24 16 3  o 50.35453 3.907300 127.4445       19.10786 27.99000       48.44212 145.7697       20.79385 27.43299 11.26346 53.84879 3.973031 -26.41580      11.94364 
1 1 1 -24 16 4  f 32.40614 5.164102 54.47449       15.83125 56.68000       46.87402 54.19052       16.81958 32.00184 11.60747 32.19065 5.537663 -0.1888123     12.86076 
1 1 1 -24 16 5  o 38.16922 4.925173 74.82555       17.97250 0.000000       0.000000 74.82555       17.97250 ?        ?        38.16922 4.925173 ?              ?        
1 1 1 -24 16 6  o 39.51808 4.789855 79.96161       18.15008 0.000000       0.000000 79.96161       18.15008 ?        ?        39.51808 4.789855 ?              ?        
1 1 1 -24 16 7  f 48.26800 3.809305 117.0902       17.85167 63.16000       36.66567 133.8464       20.43763 33.08514 10.25976 51.52699 4.085610 -18.44184      11.04332 
1 1 1 -24 16 8  o 39.97971 4.156562 80.98795       16.02881 43.50457       29.60876 96.52686       19.06387 28.16353 9.272643 43.54682 4.539032 -15.38329      10.32399 
1 1 1 -24 16 9  o 63.31252 3.320294 199.8840       20.50462 165.2679       33.86852 219.9133       25.76257 56.22527 6.260047 66.14650 3.997680 -9.921227      7.427627 
1 1 1 -24 16 10 o 45.45664 3.956634 104.2098       17.42951 76.85263       29.65823 118.6426       21.54199 37.12458 8.363048 48.27632 4.614851 -11.15173      9.551828 
1 1 1 -24 16 11 o 59.56808 3.420797 177.2863       19.86172 174.1687       32.83218 179.0856       24.94358 57.91219 5.873055 59.51677 4.310889 -1.604580      7.285365 
1 1 1 -24 16 12 o 24.59656 6.333943 32.60374       15.34120 -12.14501      25.49464 58.00439       19.20795 16.02164 7.313877 33.01007 6.171518 -16.98843      9.569767 
1 1 1 -24 16 13 o 79.62424 3.278360 316.1467       25.49637 310.8618       40.38392 319.6495       32.87740 77.78141 5.336617 79.57507 4.236253 -1.793663      6.813612 
1 1 1 -24 16 14 o 45.55951 4.145736 105.2467       18.28559 101.5000       29.07002 107.6997       23.52177 43.34940 7.096345 45.56709 5.377105 -2.217682      8.903447 
1 1 1 -24 16 15 o 29.35100 6.032216 46.14349       16.75058 11.83492       26.74367 68.29132       21.48746 20.27387 8.351224 35.70940 6.381704 -15.43553      10.51043 
1 1 1 -24 16 16 o 40.64304 4.613308 84.75938       18.02861 90.33578       28.92788 81.21789       23.05325 40.51088 7.573604 39.05508 6.240373 1.455799       9.813344 
1 1 1 -24 16 17 o 28.85092 6.344338 45.14764       17.42793 42.53381       27.76339 46.84738       22.38853 27.47020 8.975416 28.88280 7.756145 -1.412598      11.86237 
1 1 1 -24 16 18 o 26.19889 6.591228 37.70136       16.88557 60.66011       26.10324 21.18160       22.14227 32.58012 8.194277 21.21408 7.928249 11.36603       11.40190 
1 1 1 -24 16 19 o 23.07703 6.931009 29.20489       16.90939 3.670725       25.26766 49.91510       22.75603 18.16387 7.827909 29.64676 7.754634 -11.48289      11.01864 
1 1 1 -24 16 20 o 24.80977 6.874674 34.25376       17.27072 46.60340       25.41408 23.65640       23.54216 28.32174 8.494994 21.92938 8.179128 6.392368       11.79250 
1 1 1 -24 16 21 o 12.77982 5.873967 -9.598610      16.82425 16.46963       24.25096 -33.78703      23.36021 20.27340 8.096270 12.56028 6.092653 7.713119       10.13262 
1 1 1 -24 16 22 o 17.23409 6.898451 10.61940       17.64748 -8.821905      24.87074 30.33373       25.04477 15.89725 7.244300 23.60098 8.494757 -7.703728      11.16426 
1 1 1 -24 16 23 o 18.96364 7.226919 16.54729       18.60334 4.171012       26.17182 29.18668       26.44855 18.18593 7.901758 23.30359 8.673686 -5.117661      11.73331 
1 1 1 -24 16 24 o 32.67535 6.470118 59.46805       19.96135 16.42272       27.63884 106.4010       28.85996 20.66459 8.498673 43.55074 7.007807 -22.88614      11.01530 
1 1 1 -24 16 25 o 21.94444 7.465593 26.75698       19.17357 43.13495       26.43045 8.563591       27.85681 26.72713 8.758795 19.23508 8.253388 7.492048       12.03474 
1 1 1 -24 16 26 o 55.91354 4.980732 164.7146       26.97436 134.5050       31.59694 245.9000       51.79782 49.07771 6.756511 64.52367 8.400631 -15.44596      10.78059 
1 1 1 -24 16 27 o 24.95754 8.174388 37.04327       23.02249 30.18189       26.73513 56.73000       45.28596 23.26027 8.707957 29.06067 11.22427 -5.800404      14.20608 
1 1 1 -24 16 28 o 25.52629 7.756618 38.84614       21.09018 -4.346817      28.43452 91.66624       31.44409 17.24862 7.815097 38.75930 8.520767 -21.51068      11.56197 
1 1 1 -24 16 29 o 45.85301 7.769789 123.4711       33.62861 0.000000       0.000000 123.4711       33.62861 ?        ?        45.85301 7.769789 ?              ?        
1 1 1 -24 16 30 o 19.30054 8.418288 8.155790       29.94657 0.000000       0.000000 8.155790       29.94657 ?        ?        19.30054 8.418288 ?              ?        
1 1 1 -24 16 31 o 45.15160 6.671409 115.7495       28.59798 53.76000       53.85147 140.0985       33.75036 27.88334 11.69721 49.16912 7.228176 -21.28577      13.75032 
1 1 1 -24 16 32 o 34.31451 8.248914 73.14787       27.36303 6.396000       52.68586 97.80397       32.02023 22.41224 10.33506 39.60522 8.513199 -17.19299      13.38985 
1 1 1 -24 16 33 o 18.70994 7.956991 11.38689       25.48180 48.97000       51.05875 -1.078689      29.40560 26.83464 11.33107 17.64390 7.975368 9.190742       13.85640 
1 1 1 -24 16 34 o 14.17965 6.530320 -8.209604      20.93885 -35.14050      29.81060 18.01543       29.41733 14.11686 6.855822 20.42643 8.611675 -6.309566      11.00742 
1 1 1 -24 16 35 o 22.82894 7.893891 32.08791       21.45988 73.23151       30.00400 -11.00315      30.70588 33.08305 9.019561 16.54134 7.717256 16.54171       11.87049 
1 1 1 -24 16 36 o 27.13979 7.861883 46.75058       22.08510 27.86225       30.28507 68.20400       32.27602 22.06977 8.964623 31.04452 9.625884 -8.974745      13.15379 
1 1 1 -24 16 37 o 26.17121 8.722747 45.64194       26.17879 66.48606       32.13572 4.519000       45.13758 30.61659 9.622058 20.65052 9.538151 9.966068       13.54844 
1 1 1 -24 16 38 o 21.19722 8.426023 25.49846       26.14703 47.88597       32.16590 -18.11000      44.89294 26.08267 9.591106 18.59401 8.869347 7.488667       13.06349 
1 1 1 -24 16 39 o 18.11470 7.847119 9.958630       25.65232 -9.337770      31.37732 48.85000       44.54555 16.74315 7.808012 25.75933 10.70967 -9.016180      13.25376 
1 1 1 -24 16 40 o 24.96804 9.485060 43.32143       31.98220 43.32143       31.98220 0.000000       0.000000 24.96804 9.485060 ?        ?        ?              ?        
1 1 1 -24 16 41 o 15.44126 6.975670 -1.535223      22.45728 -2.578728      31.77242 -0.4934285     31.74636 17.52454 8.061116 17.76677 8.129831 -0.2422371     11.44883 
1 1 1 -24 16 42 o 22.99671 8.967745 34.53495       29.12084 61.18000       39.84322 3.978000       42.66790 27.68963 10.57051 19.91562 9.224963 7.774015       14.02981 
1 1 1 -24 16 43 o 19.39797 7.837502 19.69458       23.00797 11.82474       33.57750 26.66023       31.58977 19.51134 8.693369 21.54790 8.993469 -2.036562      12.50828 
1 1 1 -24 16 44 o 15.26841 6.936969 -1.940015      22.59254 -27.02234      32.00349 22.97742       31.89813 14.98380 7.235075 20.79338 8.874704 -5.809572      11.45018 
1 1 1 -24 16 45 o 33.43343 7.673962 71.94996       24.58098 67.16954       35.00399 76.60082       34.52644 28.99998 10.07888 31.32811 9.989636 -2.328129      14.19072 
1 1 1 -24 16 46 o 14.51369 6.762016 -7.752396      23.44608 -31.65053      33.15325 16.15874       33.16227 14.67540 7.150303 19.49642 8.665933 -4.821026      11.23500 
1 1 1 -24 16 47 o 16.92053 7.636311 5.268178       26.83418 8.194513       33.81279 0.2894000      44.10424 18.38938 8.405470 18.88916 8.946905 -0.4997768     12.27595 
1 1 1 -24 17 1  o 43.15263 3.833440 93.78875       16.02373 97.32690       28.78305 92.19971       19.28923 42.56100 7.163185 42.47790 4.718760 0.8309937E-01  8.577757 
1 1 1 -24 17 2  o 27.47885 5.598708 39.90195       14.54708 57.31000       33.29016 35.79334       16.17291 31.68543 9.767644 25.78384 6.430252 5.901598       11.69423 
1 1 1 -24 17 3  o 29.73812 5.995664 46.98961       16.84921 0.000000       0.000000 46.98961       16.84921 ?        ?        29.73812 5.995664 ?              ?        
1 1 1 -24 17 4  o 27.96531 8.022602 43.17000       23.10237 0.000000       0.000000 43.17000       23.10237 ?        ?        27.96531 8.022602 ?              ?        
1 1 1 -24 17 5  o 29.19141 6.084329 45.42582       16.82053 0.000000       0.000000 45.42582       16.82053 ?        ?        29.19141 6.084329 ?              ?        
1 1 1 -24 17 6  o 45.25068 4.491213 104.1580       19.63052 0.000000       0.000000 104.1580       19.63052 ?        ?        45.25068 4.491213 ?              ?        
1 1 1 -24 17 7  o 58.52811 3.816976 172.0270       21.74774 139.7000       57.60130 177.4013       23.48603 47.38863 12.30908 59.33738 4.068279 -11.94875      12.96397 
1 1 1 -24 17 8  o 80.77009 3.585568 326.1864       28.27684 315.5000       65.45409 328.6385       31.35361 75.35086 9.055734 80.87998 3.972564 -5.529121      9.888760 
1 1 1 -24 17 9  o 15.99344 6.221257 9.165319       13.98737 4.775538       25.44181 11.06694       16.74512 18.67115 7.945982 17.42265 6.798488 1.248501       10.45744 
1 1 1 -24 17 10 o 27.66109 5.993332 40.93748       15.75744 23.16301       27.44112 49.68168       19.24701 22.86296 8.761381 30.28191 6.673620 -7.418957      11.01358 
1 1 1 -24 17 11 f 53.64787 3.734827 144.7278       19.48986 93.02007       31.57942 176.5406       24.77010 40.86387 8.180740 59.01995 4.317554 -18.15608      9.250178 
1 1 1 -24 17 12 o 71.74090 3.358333 257.1659       23.51743 219.2457       37.31826 282.1456       30.28861 64.81744 5.948240 74.75005 4.155991 -9.932617      7.256296 
1 1 1 -24 17 13 o 24.71137 6.576254 33.22170       16.18528 42.29679       27.51954 28.42250       20.01245 27.50451 8.932424 23.13450 7.623614 4.370010       11.74341 
1 1 1 -24 17 14 o 15.93121 6.457741 7.082444       15.67764 -15.35796      25.73143 20.33095       19.77115 15.60032 7.204131 20.66710 7.532303 -5.066778      10.42282 
1 1 1 -24 17 15 o 58.57258 3.644638 172.5538       20.79207 169.7322       32.98469 174.4142       26.78331 56.79948 6.024592 58.35935 4.729132 -1.559875      7.659007 
1 1 1 -24 17 16 o 33.72777 5.400149 59.96219       17.22664 59.33229       27.28644 60.37963       22.21308 32.06642 8.541030 33.06711 7.076633 -1.000690      11.09180 
1 1 1 -24 17 17 o 16.34314 6.615378 8.022079       16.42592 -4.338043      25.84809 16.39462       21.27383 17.04566 7.608941 19.77760 7.678244 -2.731937      10.80978 
1 1 1 -24 17 18 o 23.90573 6.911638 31.65520       17.08422 35.33125       25.58659 28.69786       22.94943 25.19866 8.623070 23.21134 8.154430 1.987316       11.86811 
1 1 1 -24 17 19 o 34.36053 5.585596 62.99184       18.14145 49.91328       27.24428 73.41042       24.31642 29.07102 8.812290 36.30053 7.097981 -7.229506      11.31538 
1 1 1 -24 17 20 o 15.69248 6.572221 5.104846       16.95743 28.06151       24.91981 -14.69254      23.14165 23.06836 8.448688 14.54173 6.755719 8.526633       10.81758 
1 1 1 -24 17 21 o 62.62633 3.795587 199.4059       23.15786 177.4691       34.07879 218.2267       31.56571 57.35373 6.167174 64.63282 5.029044 -7.279095      7.957721 
1 1 1 -24 17 22 o 20.78444 7.354916 22.88230       18.69546 7.158656       26.88442 37.60621       26.01571 18.84536 8.097459 25.36169 8.694602 -6.516325      11.88129 
1 1 1 -24 17 23 o 64.52038 3.890420 212.6003       24.45554 180.5961       34.34547 245.5145       34.83032 57.65843 6.181964 68.20712 5.257558 -10.54868      8.115331 
1 1 1 -24 17 24 o 67.08494 3.859623 229.9348       25.23708 188.7440       34.62223 276.6337       36.86444 58.95152 6.087489 72.35096 5.240965 -13.39944      8.032761 
1 1 1 -24 17 25 o 17.16549 7.298919 6.518266       21.43490 -7.385269      24.84071 47.05000       42.41300 15.87834 7.237320 27.44825 10.78744 -11.56991      12.99029 
1 1 1 -24 17 26 o 56.10754 4.241456 162.9763       23.12139 125.8359       30.44768 213.5676       35.53604 47.34284 6.762342 62.78667 5.849530 -15.44383      8.941268 
1 1 1 -24 17 27 o 17.00646 7.083483 8.621576       19.53820 3.071388       26.41077 15.33095       29.03810 17.79081 7.828491 20.41690 8.578787 -2.626091      11.61382 
1 1 1 -24 17 28 o 22.07104 8.054296 27.21985       22.61689 15.57000       34.04771 36.42004       30.25703 21.26243 9.123928 24.70852 9.260966 -3.446095      13.00044 
1 1 1 -24 17 29 o 33.61024 7.044570 65.61555       22.43324 53.65865       31.47996 77.95273       31.97664 28.57661 9.566045 34.75846 9.240475 -6.181843      13.30021 
1 1 1 -24 17 30 o 26.69949 8.683324 45.08057       26.00100 69.06000       51.36469 36.81910       30.14910 30.06524 11.85442 24.54660 9.235091 5.518641       15.02712 
1 1 1 -24 17 31 o 24.77445 8.695018 38.36252       26.08873 16.68000       51.05919 46.02316       30.34950 23.18952 10.49304 26.50818 9.371858 -3.318663      14.06896 
1 1 1 -24 17 32 o 24.00236 8.646286 35.54656       25.95246 -13.38000      52.18993 51.61942       29.91306 20.62421 9.757982 27.84007 9.325016 -7.215862      13.49719 
1 1 1 -24 17 33 o 23.30458 8.673900 33.36182       26.44963 -7.046000      52.91569 46.81994       30.53824 20.99957 9.902266 26.39672 9.394192 -5.397160      13.64938 
1 1 1 -24 17 34 o 13.22454 6.404285 -29.69604      25.53750 -11.89000      52.00460 -35.35427      29.31556 20.29702 9.643185 13.88623 6.756330 6.410789       11.77451 
1 1 1 -24 17 35 o 19.39368 8.132632 16.26259       26.01590 56.10000       53.45158 3.895619       29.78151 26.85576 11.47588 18.09625 8.116008 8.759502       14.05580 
1 1 1 -24 17 36 f 13.08848 6.171127 -14.59042      20.54104 -28.73675      29.20053 -0.7332022     28.90061 14.34861 6.924064 17.25793 7.842834 -2.909318      10.46196 
1 1 1 -24 17 37 o 18.96674 7.590379 17.77287       21.36051 27.85963       30.97345 8.624697       29.49723 22.06426 9.026837 18.68046 8.244476 3.383795       12.22519 
1 1 1 -24 17 38 o 21.52228 8.382883 27.47737       25.42233 2.763668       30.52971 83.37000       45.91252 17.98429 8.128077 31.32642 11.46872 -13.34214      14.05692 
1 1 1 -24 17 39 o 28.91422 9.725559 61.17602       32.53522 61.17602       32.53522 0.000000       0.000000 28.91422 9.725559 ?        ?        ?              ?        
1 1 1 -24 17 40 o 21.56208 8.538869 27.67015       26.75659 18.09264       33.19628 45.43000       45.20462 20.47489 8.897731 25.06832 10.62702 -4.593426      13.86012 
1 1 1 -24 17 41 o 21.12687 8.806208 24.39383       30.22982 55.17000       41.46268 -10.53000      44.16833 26.55381 10.59240 18.87642 8.944558 7.677397       13.86377 
1 1 1 -24 17 42 o 19.53909 8.220401 18.20406       26.71590 -17.38389      33.36005 81.84000       44.60942 16.20809 7.707088 30.69592 11.29368 -14.48782      13.67283 
1 1 1 -24 17 43 o 15.98792 7.156434 1.796198       23.03292 21.34895       32.82795 -17.16179      32.32482 20.69356 8.920324 15.95747 7.587527 4.736096       11.71080 
1 1 1 -24 17 44 o 15.21864 6.931885 -2.140283      22.73879 8.068945       32.52573 -11.89993      31.80151 18.61422 8.403350 16.22775 7.659566 2.386467       11.37037 
1 1 1 -24 17 45 o 18.55017 7.744167 17.13920       23.43127 28.93719       33.69766 6.095212       32.60309 21.48177 9.143542 18.19180 8.291620 3.289968       12.34323 
1 1 1 -24 17 46 o 21.47465 8.177547 30.79744       23.80783 60.04698       34.74710 4.914903       32.68605 26.93673 9.957407 17.93461 8.222574 9.002117       12.91358 
1 1 1 -24 18 1  o 34.57593 4.804298 61.64310       15.82095 3.904369       29.58764 84.76186       18.72229 19.69740 8.479565 40.63722 4.799323 -20.93982      9.743537 
1 1 1 -24 18 2  o 42.64827 4.297916 92.43993       17.69732 95.79000       37.25305 91.46354       20.11162 40.76900 9.510312 42.16313 4.968414 -1.394123      10.72992 
1 1 1 -24 18 3  o 31.06106 5.523619 50.75297       16.17823 10.76000       32.96154 63.44511       18.56877 21.66119 9.123046 34.76048 5.651415 -13.09929      10.73166 
1 1 1 -24 18 4  f 38.38727 4.549826 75.41370       16.76372 30.26000       34.70113 89.15929       19.14603 25.50977 9.832620 41.69072 4.777957 -16.18095      10.93203 
1 1 1 -24 18 5  o 25.66232 7.891314 36.02907       21.74512 13.23000       54.58398 40.33000       23.70762 26.11942 11.37934 26.99440 8.228138 -0.8749809     14.04249 
1 1 1 -24 18 6  o 20.33102 6.880261 20.90721       16.28296 51.76000       49.14959 17.10346       17.25754 30.81364 11.74582 19.28653 7.035985 11.52711       13.69194 
1 1 1 -24 18 7  o 25.41346 6.683280 35.13889       16.84330 -14.02000      51.03866 41.14695       17.84291 22.54882 10.31433 27.48957 6.694438 -4.940752      12.29638 
1 1 1 -24 18 8  o 26.59901 6.685544 38.56005       17.38411 10.26000       52.12852 42.10119       18.43968 25.26793 11.06202 27.75361 6.833921 -2.485682      13.00272 
1 1 1 -24 18 9  o 25.49312 6.844533 35.51074       17.43708 17.71000       52.53003 37.71505       18.48522 26.18081 11.28483 26.21433 7.051225 -0.3351974E-01 13.30666 
1 1 1 -24 18 10 o 11.46537 5.435810 -17.81828      16.35544 -73.83000      52.06603 -11.68611      17.22748 18.25913 8.910534 12.75576 5.892005 5.503371       10.68238 
1 1 1 -24 18 11 o 24.11044 6.621743 31.63812       16.10335 2.625125       28.14870 45.75283       19.63352 18.97295 8.219488 28.83297 7.022764 -9.860020      10.81107 
1 1 1 -24 18 12 o 50.13008 3.962018 127.1445       19.28315 73.93465       31.79183 158.1135       24.25401 35.68619 9.080519 55.68756 4.487553 -20.00137      10.12887 
1 1 1 -24 18 13 o 94.16093 3.557480 444.6691       32.72937 423.9000       59.28078 453.7760       39.25455 89.08409 6.850999 94.63762 4.248431 -5.553528      8.061349 
1 1 1 -24 18 14 o 52.93557 3.932244 141.9414       20.22933 109.0113       32.24899 163.3055       25.97536 44.27496 7.722002 56.37374 4.751567 -12.09877      9.066792 
1 1 1 -24 18 15 f 18.09343 6.810565 14.34968       16.40117 13.44924       26.46407 14.91121       20.89861 20.29459 8.328003 19.31810 7.578270 0.9764919      11.25992 
1 1 1 -24 18 16 o 16.68883 6.657489 9.522126       16.37971 19.90601       25.45481 2.183981       21.39849 21.38217 8.370860 16.66389 7.192722 4.718277       11.03660 
1 1 1 -24 18 17 o 25.11543 6.918769 35.26508       17.55016 13.39705       26.85458 51.56755       23.18677 20.24376 8.356639 29.95696 7.823724 -9.713202      11.44745 
1 1 1 -24 18 18 o 29.95351 6.231641 49.22936       17.67503 30.43971       26.18644 64.95305       23.95490 23.79969 8.669436 33.82657 7.437758 -10.02688      11.42276 
1 1 1 -24 18 19 o 16.87125 6.806279 9.610735       17.32258 -1.530344      25.76340 18.80320       23.40214 17.22987 7.649518 20.52772 8.029216 -3.297844      11.08979 
1 1 1 -24 18 20 o 29.09854 6.717408 47.71370       18.74547 51.47992       27.60278 44.48994       25.53769 29.10232 8.879912 27.29319 8.577579 1.809126       12.34616 
1 1 1 -24 18 21 o 34.77726 6.076682 66.31069       19.93308 39.69611       28.68076 91.17725       27.72290 25.87998 9.114005 39.99153 7.353014 -14.11155      11.71033 
1 1 1 -24 18 22 o 25.05831 7.558803 36.51254       20.07954 42.23157       28.40430 30.79957       28.38922 26.44565 9.084355 23.70701 8.952241 2.738634       12.75414 
1 1 1 -24 18 23 o 25.12032 7.720276 37.04261       20.81636 17.42838       27.91209 61.62369       31.24692 20.77528 8.542006 31.12477 9.437996 -10.34948      12.72956 
1 1 1 -24 18 24 o 29.76776 7.887713 53.06028       23.34796 79.55872       27.71483 -11.72000      43.33348 36.58614 7.965481 19.86003 9.232628 16.72611       12.19386 
1 1 1 -24 18 25 o 17.21104 7.074929 9.880353       19.14211 10.20726       25.59996 9.465777       28.82883 18.84686 7.993738 19.42074 8.365391 -0.5738831     11.57064 
1 1 1 -24 18 26 f 24.77166 7.581629 36.34052       20.10158 5.067224       27.17156 74.15005       29.87641 18.28381 7.995878 34.42236 8.826074 -16.13855      11.90939 
1 1 1 -24 18 27 o 29.87489 7.619754 53.33557       22.34917 38.06000       33.00178 66.27571       30.37444 25.11958 9.612659 32.09451 9.196427 -6.974934      13.30329 
1 1 1 -24 18 28 o 17.79232 7.289254 11.76576       20.23209 10.21840       27.42586 13.61325       29.96782 19.07463 8.187001 20.13362 8.597802 -1.058996      11.87220 
1 1 1 -24 18 29 o 37.84275 6.937201 82.80100       24.74979 60.42547       29.50724 135.9000       45.45535 30.39561 9.161799 44.42493 10.60132 -14.02932      14.01166 
1 1 1 -24 18 30 o 35.50738 7.992046 77.26730       27.10455 67.00000       53.07031 80.89057       31.52638 29.34262 11.88599 35.26456 9.079298 -5.921938      14.95695 
1 1 1 -24 18 31 o 25.07215 8.678020 39.78375       25.93763 23.98000       51.31790 45.20619       30.05980 23.84719 10.67766 26.23344 9.321942 -2.386246      14.17431 
1 1 1 -24 18 32 o 28.40539 8.804449 53.17069       27.00517 -3.204000      54.77006 71.27827       31.04069 21.50774 10.12100 32.49632 9.292008 -10.98857      13.73958 
1 1 1 -24 18 33 o 15.72909 7.528307 -24.71503      32.93355 2.643000       53.15529 -41.76000      41.95679 21.54409 10.08470 16.48368 8.034125 5.060404       12.89373 
1 1 1 -24 18 34 o 16.63277 7.514998 -0.6122371     26.07489 24.97000       52.75256 -8.883243      29.99532 23.38693 10.61547 16.54109 7.686873 6.845846       13.10635 
1 1 1 -24 18 35 o 19.24651 8.077930 16.01954       25.70149 -47.04000      52.33970 36.05680       29.50360 17.95490 8.798367 23.61117 9.075348 -5.656277      12.64014 
1 1 1 -24 18 36 o 21.56509 8.406208 27.26327       25.58013 -19.10000      53.89255 40.74621       29.06257 19.88597 9.547556 24.67637 9.109282 -4.790407      13.19602 
1 1 1 -24 18 37 o 15.53514 6.887692 1.781948       20.81646 -4.116430      30.51287 6.917295       28.47093 17.09980 7.878051 18.13375 8.046638 -1.033957      11.26109 
1 1 1 -24 18 38 o 15.62880 7.118355 -3.044809      23.97484 -12.72616      30.47422 12.68000       38.83804 16.10577 7.569752 20.46230 9.215062 -4.356524      11.92554 
1 1 1 -24 18 39 o 12.49900 6.003083 -21.68385      21.34836 -31.28377      29.89012 -11.68723      30.50144 14.23264 6.901027 16.20847 7.603806 -1.975837      10.26850 
1 1 1 -24 18 40 o 18.21693 8.051003 8.301027       28.22195 -13.23000      37.27023 37.24000       43.20871 17.46804 8.259137 23.83478 10.25377 -6.366737      13.16636 
1 1 1 -24 18 41 o 16.81087 7.533527 3.029640       25.60443 0.2797513E-01  32.08415 8.294000       42.48957 17.74462 8.139570 20.22342 9.309654 -2.478806      12.36617 
1 1 1 -24 18 42 o 36.79737 7.944810 86.73122       27.77679 52.69678       34.17315 153.0000       47.68482 26.42579 9.854683 44.39272 11.02426 -17.96692      14.78679 
1 1 1 -24 18 43 o 41.11560 7.393439 105.3666       28.66114 93.91808       35.64717 126.3000       48.20251 35.35107 9.906833 37.83141 11.76886 -2.480335      15.38348 
1 1 1 -24 18 44 f 21.97601 8.696217 32.31321       27.73235 11.92697       33.69496 75.12000       48.82618 19.10486 8.595262 27.89189 11.36288 -8.787029      14.24758 
1 1 1 -24 18 45 o 14.96605 6.886476 -3.330550      23.21384 17.53710       33.00302 -23.76460      32.65834 19.52873 8.664662 15.09377 7.293210 4.434968       11.32551 
1 1 1 -24 19 1  o 57.83066 4.839993 171.2199       27.14633 126.7000       41.61366 204.2000       35.81664 46.93584 9.386037 62.52849 5.922546 -15.59265      11.09839 
1 1 1 -24 19 2  o 17.13283 7.169937 5.656696       20.15858 -20.37000      31.78485 23.17000       26.07322 17.01465 7.908955 22.54354 8.564104 -5.528889      11.65742 
1 1 1 -24 19 3  o 41.09615 4.520564 86.44373       17.88449 56.34000       34.72409 97.31263       20.86476 31.09009 10.02864 43.42646 4.999678 -12.33638      11.20582 
1 1 1 -24 19 4  o 36.99838 4.719150 70.52633       16.70195 29.86496       29.44894 89.80729       20.27883 24.57480 9.151363 41.66105 5.077631 -17.08625      10.46565 
1 1 1 -24 19 5  o 59.67458 3.446049 178.4079       20.04315 151.8681       34.46346 191.9725       24.63843 53.32381 6.754137 61.61332 4.108860 -8.289505      7.905763 
1 1 1 -24 19 6  o 61.02167 3.468723 186.6142       20.63325 137.8521       35.13742 212.2779       25.49107 50.38791 7.339763 64.83094 4.037011 -14.44303      8.376729 
1 1 1 -24 19 7  o 54.39079 5.556485 153.9211       29.16712 63.59000       56.21288 187.2000       34.11943 32.79364 12.54656 59.80756 5.905243 -27.01392      13.86680 
1 1 1 -24 19 8  o 68.47538 3.808768 236.0600       25.42791 229.8000       61.28148 237.3620       27.94735 62.39961 10.39902 68.46520 4.190345 -6.065590      11.21154 
1 1 1 -24 19 9  o 16.91183 6.725628 9.626716       16.66611 27.96000       51.67624 7.498454       17.60692 27.13924 11.42622 16.66938 6.811145 10.46985       13.30227 
1 1 1 -24 19 10 o 12.47308 5.736933 -9.972152      16.08684 -2.562000      52.17035 -10.75075      16.91087 23.59819 10.64900 12.72463 5.863279 10.87356       12.15645 
1 1 1 -24 19 11 o 18.84673 7.137929 15.45974       18.07920 -47.30000      53.29028 23.62271       19.21902 20.01130 9.577473 21.44227 7.467288 -1.430971      12.14448 
1 1 1 -24 19 12 o 29.51292 6.895119 48.26074       19.55756 49.24000       54.09539 48.11349       20.97647 29.94508 12.04631 29.28258 7.334826 0.6624966      14.10366 
1 1 1 -24 19 13 o 38.77316 4.872008 78.17057       18.08314 70.43834       29.67023 82.74012       22.80895 34.68896 8.742666 39.26743 6.134824 -4.578465      10.68037 
1 1 1 -24 19 14 o 40.42168 4.751653 84.78145       18.44168 63.02663       28.87798 99.76340       23.96477 32.65664 8.825871 43.32296 5.796637 -10.66631      10.55921 
1 1 1 -24 19 15 o 30.67268 6.168193 51.33789       17.87639 45.04029       27.77569 55.79107       23.35673 27.69974 8.972200 31.21397 7.694451 -3.514227      11.81968 
1 1 1 -24 19 16 o 15.22356 6.445098 3.636660       16.59054 -3.186990      25.32740 8.765069       21.95703 16.89666 7.537874 18.03402 7.510133 -1.137356      10.64057 
1 1 1 -24 19 17 o 49.04194 4.260241 123.6673       20.24799 121.1226       31.09705 125.5401       26.67815 46.70981 7.018303 48.50233 5.729853 -1.792522      9.060232 
1 1 1 -24 19 18 o 24.49774 7.189589 34.22318       18.36327 32.83694       28.53922 35.20259       23.98870 24.34448 9.019621 24.72040 8.351118 -0.3759251     12.29206 
1 1 1 -24 19 19 o 35.23117 5.843719 67.48830       19.44644 74.65583       29.15113 61.74114       26.10342 35.22292 8.543818 32.15369 8.252892 3.069225       11.87885 
1 1 1 -24 19 20 o 14.21179 6.378486 -4.310897      18.43159 8.735084       27.03111 -15.64725      25.19778 19.08794 8.158845 14.99165 6.993146 4.096290       10.74574 
1 1 1 -24 19 21 o 34.01896 6.420859 64.54301       20.59701 68.46210       28.82183 60.45251       29.44532 33.41236 8.721100 31.09791 9.097929 2.314449       12.60277 
1 1 1 -24 19 22 o 18.89883 7.709280 13.60046       22.51070 9.247831       26.29569 25.54000       43.55146 18.89442 8.060793 24.20335 10.35102 -5.308935      13.11945 
1 1 1 -24 19 23 o 16.13139 7.152852 -0.5998911     22.45632 2.154856       26.11246 -8.423000      44.00445 17.61537 7.766444 20.27488 9.383319 -2.659512      12.18049 
1 1 1 -24 19 24 o 26.79419 7.515106 42.60713       20.50380 23.30127       28.04952 64.76039       30.04691 21.78234 8.704470 31.86156 9.152085 -10.07923      12.63046 
1 1 1 -24 19 25 o 35.17811 6.327386 69.38995       20.98631 27.41541       28.05518 122.7167       31.62223 22.59171 8.804325 46.18218 7.232605 -23.59047      11.39415 
1 1 1 -24 19 26 o 17.52863 7.417086 8.411955       21.95278 20.73000       32.84683 -1.531890      29.51207 21.82627 9.144466 17.80887 8.025354 4.017399       12.16666 
1 1 1 -24 19 27 o 54.20436 4.533557 154.3908       23.83345 109.5419       32.71143 205.1388       34.79628 42.52002 8.156203 61.14915 5.886115 -18.62913      10.05833 
1 1 1 -24 19 28 o 11.93476 5.717639 -21.05822      19.09487 -44.07087      25.87321 6.469631       28.29783 12.31818 6.065968 18.55842 8.136781 -6.240242      10.14905 
1 1 1 -24 19 29 o 19.04939 7.414446 17.86695       19.87663 0.5136799      26.99202 38.42515       29.37902 17.27502 7.738747 24.68797 9.150537 -7.412947      11.98418 
1 1 1 -24 19 30 o 17.46564 7.185156 11.50224       19.76315 14.14184       27.26318 8.579136       28.68999 19.49798 8.258718 18.83897 8.227935 0.6590176      11.65784 
1 1 1 -24 19 31 o 23.34966 8.599508 33.77197       25.87526 26.68000       53.78731 35.90743       29.51491 23.98871 10.82013 23.89018 9.103237 0.9853554E-01  14.14016 
1 1 1 -24 19 32 o 17.29811 8.045684 -8.455957      32.97248 -12.01000      53.50615 -6.280000      41.86659 20.43480 9.729307 19.20082 8.975510 1.233982       13.23704 
1 1 1 -24 19 33 o 13.67477 6.546733 -22.50925      24.94000 -16.79000      52.02183 -24.21604      28.41878 19.81855 9.479167 14.54002 6.968282 5.278531       11.76484 
1 1 1 -24 19 34 o 18.00613 7.824358 9.208617       25.66656 22.14000       52.79465 5.206350       29.37112 22.97874 10.50315 18.12578 8.099634 4.852962       13.26349 
1 1 1 -24 19 35 o 16.93121 7.536983 3.139149       25.18029 -29.56000      54.70788 11.92831       28.36321 19.30809 9.355902 18.96391 8.232964 0.3441753      12.46253 
1 1 1 -24 19 36 o 16.80072 7.493769 3.032136       25.02054 15.92000       53.45075 -0.5843218     28.31425 22.29419 10.32613 17.03843 7.750816 5.255756       12.91139 
1 1 1 -24 19 37 o 20.94047 8.861200 22.43176       31.33591 12.93000       53.54897 27.38000       38.64329 21.99441 10.23787 22.31339 9.648623 -0.3189793     14.06805 
1 1 1 -24 19 38 o 18.63927 7.578053 16.75699       21.66421 63.62801       33.01499 -18.68698      28.70980 29.32409 9.796152 15.03716 7.150148 14.28693       12.12803 
1 1 1 -24 19 39 o 20.94021 8.199322 25.76668       24.42593 -12.45000      39.87120 48.72649       30.90416 18.00004 8.520133 26.07284 9.429427 -8.072800      12.70853 
1 1 1 -24 19 40 o 19.86065 7.881649 22.03241       22.84140 42.90940       33.10461 3.062677       31.55623 24.51204 9.560678 18.00078 8.186222 6.511265       12.58653 
1 1 1 -24 19 41 o 24.84575 8.772140 42.64503       26.58235 -4.169394      32.72184 133.5000       45.58503 17.36105 8.054438 41.02299 11.08960 -23.66193      13.70596 
1 1 1 -24 19 42 o 16.06928 7.331131 -1.203567      25.56451 6.007414       32.18010 -13.54000      42.09059 18.31535 8.304581 17.99054 8.583313 0.3248043      11.94317 
1 1 1 -24 19 43 o 14.91599 6.997859 -10.22587      25.83998 -31.94857      32.15321 29.39000       43.42123 14.49008 7.055902 22.08770 9.860617 -7.597615      12.12508 
1 1 1 -24 19 44 o 13.85612 6.651236 -20.02752      26.12581 -14.11730      32.90386 -30.11000      42.97628 15.99541 7.619581 16.61523 8.105490 -0.6198263     11.12461 
1 1 1 -24 19 45 o 19.69716 8.321296 22.56718       27.55853 48.40614       34.22726 -25.06000      46.46887 24.37333 9.655898 17.30450 8.438807 7.068825       12.82380 
1 1 1 -24 20 1  o 41.20000 6.081866 90.18238       23.79027 46.03000       36.76094 122.0000       31.20638 28.60427 10.29217 47.52457 6.910750 -18.92030      12.39706 
1 1 1 -24 20 2  o 50.38957 4.941179 130.9044       24.05823 96.45137       33.47758 167.7000       34.59698 41.13145 8.592699 56.17442 6.406449 -15.04297      10.71807 
1 1 1 -24 20 3  o 34.05384 6.639524 63.02153       21.33603 69.95007       30.41662 56.31000       29.93652 34.70929 8.908586 31.06377 9.196425 3.645512       12.80379 
1 1 1 -24 20 4  o 14.59164 6.528848 -5.234931      19.14988 -24.45477      27.39919 13.12000       26.77561 15.06785 7.111351 20.40766 8.375913 -5.339813      10.98759 
1 1 1 -24 20 5  o 24.95977 6.499049 34.10045       16.03159 3.709866       28.67024 47.92547       19.33726 19.19430 8.305359 29.50208 6.831088 -10.30777      10.75373 
1 1 1 -24 20 6  o 40.97308 4.434659 86.12913       17.50232 47.19749       30.99397 104.3563       21.20733 28.58485 9.490105 44.92347 4.902344 -16.33861      10.68153 
1 1 1 -24 20 7  o 61.78005 3.732455 192.5246       22.46563 162.9000       44.15511 202.8720       26.09577 53.43866 8.743591 63.15137 4.246322 -9.712715      9.720166 
1 1 1 -24 20 8  o 35.67159 6.194283 68.51786       20.84396 38.51080       31.03389 93.18000       28.13454 26.40299 9.461857 41.08969 7.260685 -14.68670      11.92662 
1 1 1 -24 20 9  o 25.56611 8.197202 36.75600       23.22356 -3.281000      51.57181 46.94000       26.01002 23.17841 10.51098 28.47282 8.606003 -5.294411      13.58470 
1 1 1 -24 20 10 o 38.49685 5.397203 78.11747       19.77969 18.89000       53.69562 87.41606       21.27579 25.81232 11.26525 40.71492 5.477402 -14.90259      12.52628 
1 1 1 -24 20 11 o 35.54113 6.130388 68.22576       20.55657 21.66000       54.17207 76.05900       22.21840 26.08825 11.35142 37.48646 6.276975 -11.39821      12.97132 
1 1 1 -24 20 12 o 34.00796 6.492560 63.40901       20.82432 103.9000       54.11958 56.37212       22.56139 38.68727 12.52344 31.52773 7.432851 7.159540       14.56310 
1 1 1 -24 20 13 o 24.24909 7.626749 33.13939       20.18599 -29.08000      50.69282 44.86437       22.00593 20.43911 9.654373 27.90171 7.770902 -7.462605      12.39330 
1 1 1 -24 20 14 f 26.91122 7.599296 41.63712       20.89188 -45.31000      49.94379 60.07807       23.00094 19.03195 9.151383 32.47278 7.401565 -13.44084      11.76992 
1 1 1 -24 20 15 o 37.05680 5.345670 73.06398       18.82997 60.67833       29.68891 81.39925       24.35538 31.50958 9.111675 38.30101 6.742638 -6.791437      11.33516 
1 1 1 -24 20 16 o 21.13083 7.194388 24.23376       17.80630 -19.14671      27.61685 55.09911       23.29500 15.41707 7.233424 30.70732 7.750817 -15.29026      10.60177 
1 1 1 -24 20 17 o 53.17194 4.196929 145.6263       21.66641 115.6008       32.68270 169.1680       28.93950 44.80159 7.732126 56.52826 5.291719 -11.72667      9.369528 
1 1 1 -24 20 18 f 33.93960 6.138831 63.48090       19.64331 60.53511       30.25034 65.62868       25.83006 31.08797 9.254743 33.27116 8.024946 -2.183195      12.24949 
1 1 1 -24 20 19 o 10.83198 5.276113 -28.21246      18.01400 -21.87008      26.24680 -33.86061      24.76871 14.59478 6.909630 12.92277 6.269693 1.672012       9.330168 
1 1 1 -24 20 20 o 22.46505 7.525797 28.68764       19.48341 26.86101       27.16521 30.62262       27.95935 22.56789 8.699428 23.48632 8.880781 -0.9184265     12.43175 
1 1 1 -24 20 21 o 12.97358 6.200328 -23.20920      22.16324 -15.09788      26.53160 -41.94000      40.31770 15.37015 7.171739 16.67800 8.069542 -1.307846      10.79589 
1 1 1 -24 20 22 o 55.24403 5.235906 162.7713       27.97490 171.6925       33.78099 143.3000       49.90680 55.75816 6.299723 45.40540 11.27960 10.35276       12.91960 
1 1 1 -24 20 23 o 37.23999 6.126124 77.04435       21.55485 76.93726       29.46051 77.16772       31.62029 35.22175 8.617115 34.76590 9.163951 0.4558525      12.57906 
1 1 1 -24 20 24 o 32.25178 7.505712 61.66040       23.24843 61.85000       34.89615 61.50909       31.17426 30.26665 10.07044 30.66890 9.451756 -0.4022522     13.81121 
1 1 1 -24 20 25 o 58.92428 4.714475 183.0370       26.96488 158.4000       40.77880 202.1796       35.94514 51.04070 8.458252 60.47027 6.158703 -9.429573      10.46287 
1 1 1 -24 20 26 o 56.57286 5.489118 173.6718       30.01446 241.4000       59.37168 150.4206       34.78703 59.85378 10.51767 50.94294 7.174828 8.910843       12.73183 
1 1 1 -24 20 27 o 31.88630 6.854074 59.26846       20.75546 13.72261       27.68247 117.7451       31.36691 19.59443 8.311738 44.70174 7.429388 -25.10731      11.14813 
1 1 1 -24 20 28 o 29.09194 7.175265 50.60712       20.30282 29.17791       27.59587 75.89343       29.97670 22.52275 8.744740 34.22450 8.874763 -11.70175      12.45921 
1 1 1 -24 20 29 o 31.54926 6.877169 58.54430       20.63683 78.00996       28.51067 37.12197       29.90930 35.14226 8.402346 24.29140 9.185235 10.85086       12.44861 
1 1 1 -24 20 30 o 15.03578 6.677216 0.7239375E-01  19.64356 -8.813005      27.13195 9.860765       28.47723 15.92103 7.368210 18.84023 8.213478 -2.919196      11.03412 
1 1 1 -24 20 31 o 13.38014 6.253248 -11.77402      20.30354 -34.33374      28.35546 11.96237       29.08555 13.65864 6.645407 19.15471 8.326279 -5.496077      10.65309 
1 1 1 -24 20 32 o 17.14477 7.198132 10.42104       20.41805 -7.489098      29.75558 26.35854       28.06913 16.60680 7.696265 21.53631 8.672559 -4.929504      11.59508 
1 1 1 -24 20 33 o 17.41960 7.659730 6.307743       25.24314 65.74000       52.85021 -11.25833      28.73247 27.83921 11.62694 15.89625 7.432327 11.94296       13.79947 
1 1 1 -24 20 34 o 25.88875 8.688200 44.90713       25.96573 -0.1722000     54.44718 58.17774       29.54147 21.23152 10.02165 28.86078 9.244377 -7.629259      13.63422 
1 1 1 -24 20 35 o 16.14006 7.301952 -0.7898695     24.71288 11.72000       53.58034 -4.170259      27.85239 21.90749 10.21196 16.45389 7.560882 5.453596       12.70634 
1 1 1 -24 20 36 o 15.95474 7.520436 -13.94377      30.46681 -25.03000      52.94072 -8.454000      37.25417 19.13777 9.256595 17.92453 8.407135 1.213236       12.50458 
1 1 1 -24 20 37 o 19.57372 8.131727 18.67392       25.65340 21.84000       55.01243 17.79412       28.99947 22.78866 10.52722 19.84817 8.466298 2.940496       13.50928 
1 1 1 -24 20 38 o 13.68460 6.641569 -30.68223      27.85633 0.000000       0.000000 -30.68223      27.85633 ?        ?        13.68460 6.641569 ?              ?        
1 1 1 -24 20 39 o 22.86310 8.739668 34.55072       27.26025 -61.73000      56.32617 64.00030       31.15158 17.48496 8.671744 29.51118 9.496891 -12.02622      12.86041 
1 1 1 -24 20 40 o 19.78072 7.745542 22.24219       21.79765 -8.411902      31.00931 52.18401       30.64693 16.52538 7.724750 26.66136 9.418429 -10.13599      12.18107 
1 1 1 -24 20 41 o 19.55602 7.729631 21.73010       21.88675 39.79858       30.79592 3.289325       31.11158 23.70572 9.228364 17.79189 8.105635 5.913824       12.28267 
1 1 1 -24 20 42 o 33.71082 7.193898 71.27608       23.01432 85.67223       32.51778 56.82777       32.57664 34.11832 9.425159 26.96934 9.690623 7.148985       13.51820 
1 1 1 -24 20 43 o 17.13496 7.610773 7.816216       25.53160 9.115040       31.25655 5.212000       44.25929 18.24657 8.237533 19.44613 9.134330 -1.199562      12.30012 
1 1 1 -24 20 44 o 20.61720 8.347532 27.34662       26.16138 15.29587       32.20226 50.74000       44.86687 19.08214 8.507077 24.20298 10.43077 -5.120834      13.45999 
1 1 1 -24 21 1  f 62.19925 3.580477 194.9576       21.70666 125.4195       36.47726 233.0825       27.00939 47.01017 8.226790 67.73420 4.092906 -20.72403      9.188686 
1 1 1 -24 21 2  o 48.65166 5.096854 123.1752       23.91220 120.1100       32.91747 126.6000       34.79445 46.52615 7.481691 47.60406 7.732323 -1.077908      10.75939 
1 1 1 -24 21 3  o 38.10894 6.264716 78.36323       22.55739 43.11306       30.98742 118.1000       32.90039 27.38999 9.484986 46.06593 7.558416 -18.67594      12.12826 
1 1 1 -24 21 4  o 23.92951 7.793412 31.64668       20.94076 2.886056       29.28262 61.75000       29.95835 19.08357 8.324035 32.22301 9.100317 -13.13943      12.33310 
1 1 1 -24 21 5  o 15.50421 6.836296 -1.888145      20.23677 -23.41632      28.16698 21.08000       29.09375 15.32849 7.227017 22.26172 8.875343 -6.933223      11.44559 
1 1 1 -24 21 6  o 22.71917 7.865391 27.63125       21.30787 31.80323       28.85771 22.63000       31.59585 24.51767 9.072369 22.95563 9.216166 1.562042       12.93235 
1 1 1 -24 21 7  o 31.07778 5.734876 51.93222       16.80283 0.7842385      28.72671 78.53230       20.71634 18.55512 8.164675 38.40181 5.682634 -19.84669      9.947575 
1 1 1 -24 21 8  o 60.28188 3.607498 183.5938       21.18887 141.3115       34.61092 208.9406       26.79756 50.57079 7.194836 63.90364 4.309335 -13.33285      8.386658 
1 1 1 -24 21 9  o 52.76332 4.131815 142.3163       21.16917 86.61000       41.01922 162.5392       24.71473 36.68883 10.73937 56.16848 4.533777 -19.47966      11.65715 
1 1 1 -24 21 10 f 26.90674 7.413710 41.35531       20.14865 15.75402       30.21738 61.85000       27.03625 21.27160 8.830296 32.35571 8.447292 -11.08411      12.22010 
1 1 1 -24 21 11 o 53.10767 4.486264 145.5408       23.10314 113.5000       54.54111 152.5470       25.50428 39.96150 12.53201 54.13787 4.864705 -14.17636      13.44309 
1 1 1 -24 21 12 o 21.17599 7.579728 23.49380       19.90921 22.47000       50.58167 23.68149       21.65741 25.21045 10.96915 21.44351 7.872541 3.766939       13.50182 
1 1 1 -24 21 13 o 31.08763 7.195731 55.22840       21.46290 -26.15000      51.59706 72.25577       23.60175 20.56750 9.722554 35.82226 6.982081 -15.25477      11.96986 
1 1 1 -24 21 14 o 40.86026 5.898942 90.53020       22.91065 88.28000       53.98288 91.02455       25.30243 34.61733 12.47006 40.49111 6.612031 -5.873779      14.11458 
1 1 1 -24 21 15 o 59.09418 4.591355 181.5488       26.34955 129.5000       56.59576 195.9532       29.77321 41.68803 12.71426 61.05677 5.026262 -19.36874      13.67171 
1 1 1 -24 21 16 f 21.45766 7.986910 24.04959       22.42640 113.9000       52.66918 4.151867       24.78553 39.37630 12.31019 17.70827 7.691964 21.66804       14.51575 
1 1 1 -24 21 17 o 32.87007 6.562334 60.74228       20.37388 56.87838       31.86688 63.41363       26.49671 29.83232 9.605774 32.39162 8.315285 -2.559303      12.70492 
1 1 1 -24 21 18 o 29.86652 6.983590 51.36706       20.04899 24.56774       29.97456 73.06304       26.96997 22.40063 8.982354 34.98177 8.044550 -12.58114      12.05809 
1 1 1 -24 21 19 o 22.54375 7.716111 29.06646       20.48758 32.10151       29.28678 26.15777       28.67066 23.81208 9.069304 22.48772 8.859701 1.324368       12.67859 
1 1 1 -24 21 20 o 18.21724 7.624045 10.42725       22.79427 -4.120338      27.67537 41.11000       40.19250 17.07289 7.725285 26.11366 10.42487 -9.040770      12.97528 
1 1 1 -24 21 21 o 49.53340 4.891539 129.9460       23.40720 130.2212       32.90455 129.6639       33.30463 47.50790 7.309912 47.27876 7.442434 0.2291451      10.43190 
1 1 1 -24 21 22 o 13.90758 6.385463 -8.552544      19.80865 5.539360       26.99493 -24.99234      29.15718 18.26196 7.978443 15.04027 7.166853 3.221696       10.72471 
1 1 1 -24 21 23 o 15.87341 7.012098 0.4722567      21.38505 9.032000       30.33902 -7.980000      30.14793 19.48829 8.487134 17.11979 7.866662 2.368498       11.57220 
1 1 1 -24 21 24 o 39.06633 6.619515 86.88386       24.40963 39.67000       35.56657 128.9243       33.56147 25.28898 9.896410 46.76755 7.591533 -21.47857      12.47278 
1 1 1 -24 21 25 o 44.24492 5.292335 106.0320       22.46602 90.47126       30.47076 124.5664       33.25500 38.18956 8.381871 45.73110 7.702584 -7.541542      11.38357 
1 1 1 -24 21 26 o 22.29034 7.621307 29.40026       19.98605 35.66499       26.77064 21.51186       30.04015 24.02926 8.763698 21.28192 8.816779 2.747335       12.43133 
1 1 1 -24 21 27 o 23.28124 7.605185 32.77287       19.93396 27.57357       27.01264 38.98979       29.53808 22.10205 8.631799 24.73681 9.174042 -2.634766      12.59647 
1 1 1 -24 21 28 o 32.42802 6.702995 61.47090       20.57274 56.08988       28.30280 67.49892       29.95604 28.98567 9.018248 31.73978 9.144797 -2.754108      12.84352 
1 1 1 -24 21 29 o 29.01016 8.117684 53.77277       23.95327 57.97874       28.63452 43.97000       43.71508 29.25443 9.065926 25.41134 10.59075 3.843092       13.94113 
1 1 1 -24 21 30 o 11.99461 5.899071 -38.90055      24.21264 -31.45000      52.71004 -40.89312      27.25874 18.95143 9.183175 12.81319 6.293166 6.138240       11.13259 
1 1 1 -24 21 31 o 16.60317 6.997100 9.082545       19.40862 17.52694       26.91912 -0.5959955E-01 28.00919 19.67023 8.262130 17.09938 7.751044 2.570852       11.32879 
1 1 1 -24 21 32 o 23.99919 7.657735 36.35700       20.28597 56.95089       28.97035 16.54494       28.41511 28.58233 9.154520 19.67648 8.386427 8.905844       12.41521 
1 1 1 -24 21 33 f 18.81963 7.451561 17.99904       20.37307 20.21505       29.40388 15.95292       28.25424 20.45082 8.615152 19.56314 8.351115 0.8876762      11.99842 
1 1 1 -24 21 34 o 23.43400 8.667274 36.09650       26.33264 41.10000       55.84209 34.66574       29.86114 24.66067 11.08246 23.09526 9.059072 1.565413       14.31390 
1 1 1 -24 21 35 o 21.85280 9.038376 27.99974       31.49763 101.1000       54.53035 -8.601000      38.58547 32.36676 12.36374 18.12206 8.517530 14.24470       15.01367 
1 1 1 -24 21 36 o 24.90930 8.696031 42.15818       26.07324 30.05000       55.86983 45.52943       29.48037 23.51145 10.76849 25.43338 9.208072 -1.921934      14.16859 
1 1 1 -24 21 37 o 15.79657 7.382525 -10.01171      28.29816 0.000000       0.000000 -10.01171      28.29816 ?        ?        15.79657 7.382525 ?              ?        
1 1 1 -24 21 38 o 18.86009 8.011790 15.53990       25.78380 20.63000       55.45169 14.13583       29.12363 22.41676 10.42896 19.11051 8.319102 3.306246       13.34057 
1 1 1 -24 21 39 o 32.75065 8.478894 72.26783       27.39171 96.39000       56.82690 64.96687       31.26335 30.61382 12.33569 29.62854 9.511941 0.9852848      15.57711 
1 1 1 -24 21 40 o 23.47066 8.736875 37.98317       26.83680 12.49000       55.70498 45.68851       30.62515 21.54044 10.15810 24.96237 9.325075 -3.421930      13.78927 
1 1 1 -24 21 41 o 14.40619 6.843933 -15.73134      26.18523 -108.1000      54.92867 11.43325       29.78780 15.21582 7.686213 18.53004 8.226104 -3.314219      11.25818 
1 1 1 -24 21 42 o 14.10985 6.744664 -17.87031      26.25232 18.86000       54.02805 -29.22264      30.03652 21.35437 10.04988 14.08292 6.849045 7.271454       12.16180 
1 1 1 -24 21 43 o 12.74594 6.100980 -17.55780      21.63860 -27.97850      30.94627 -7.588761      30.26818 14.32887 6.964852 16.01796 7.533371 -1.689093      10.25967 
1 1 1 -24 22 1  o 43.10454 4.374300 95.82151       18.20071 72.23758       32.83606 106.2809       21.86735 34.31679 9.467755 45.05090 5.045483 -10.73411      10.72825 
1 1 1 -24 22 2  o 49.35069 4.040574 124.4664       19.34759 99.05738       34.34673 136.2764       23.41611 40.87957 8.841322 51.26785 4.719114 -10.38829      10.02193 
1 1 1 -24 22 3  f 21.79016 6.899978 26.07099       16.49623 11.77903       30.05423 32.23327       19.73470 20.53435 8.683182 23.92259 7.543307 -3.388245      11.50214 
1 1 1 -24 22 4  o 47.58990 5.428403 119.7285       24.83510 68.85634       33.27562 183.7000       37.31466 33.34179 9.647840 58.01115 6.694090 -24.66937      11.74273 
1 1 1 -24 22 5  o 30.83040 7.503704 54.51031       22.42740 38.26786       30.36375 74.01000       33.26928 25.88184 9.348477 34.64092 9.519346 -8.759079      13.34211 
1 1 1 -24 22 6  o 28.42211 7.734320 46.81475       22.08660 23.84832       29.40177 76.56000       33.46074 22.61657 8.952732 35.22923 9.491475 -12.61266      13.04759 
1 1 1 -24 22 7  o 21.50504 7.877012 23.85477       21.66247 46.92210       29.53013 -3.021000      31.87477 27.90841 9.263214 18.66641 8.382085 9.241997       12.49266 
1 1 1 -24 22 8  o 33.94206 6.739522 64.34031       21.60109 59.09998       29.82734 70.12000       31.32473 31.02690 9.178140 33.77056 9.219608 -2.743660      13.00921 
1 1 1 -24 22 9  o 20.67905 6.862044 23.21250       16.20524 26.58035       28.14615 21.54248       19.81993 22.88980 8.846691 20.55615 7.533740 2.333645       11.61986 
1 1 1 -24 22 10 o 34.96988 5.254813 65.26184       17.43125 65.09261       29.72879 65.35050       21.51837 32.51159 9.023648 34.17458 6.672305 -1.662991      11.22256 
1 1 1 -24 22 11 o 36.75414 5.231646 72.04102       18.29052 57.58159       31.23099 79.58950       22.56523 30.23866 9.483158 38.01086 6.284340 -7.772205      11.37643 
1 1 1 -24 22 12 f 32.98470 8.482139 65.84364       27.53822 83.02000       52.87391 59.45000       32.25895 33.62065 12.30769 30.55682 9.645517 3.063828       15.63698 
1 1 1 -24 22 13 o 28.70893 7.642381 48.49358       21.85441 50.79000       52.00135 48.00097       24.08462 28.49579 11.68154 28.25914 8.217096 0.2366524      14.28213 
1 1 1 -24 22 14 o 18.10648 7.492973 10.67472       21.66356 -31.20000      50.26372 20.22794       24.00786 19.68637 9.388874 20.69960 8.121798 -1.013235      12.41429 
1 1 1 -24 22 15 o 13.76976 6.436940 -14.75605      21.53598 -54.34000      50.48686 -5.951316      23.81096 18.15713 8.841563 15.75941 7.144813 2.397717       11.36757 
1 1 1 -24 22 16 o 52.81776 5.273192 148.7632       26.89814 6.794000       55.03830 193.3119       30.83084 23.41806 10.71153 60.25103 5.281095 -36.83297      11.94265 
1 1 1 -24 22 17 o 52.12961 5.394081 145.8015       27.12660 40.39000       56.03576 178.0654       31.00128 26.84418 11.61331 57.47624 5.580582 -30.63205      12.88455 
1 1 1 -24 22 18 o 35.38353 9.435473 80.68717       33.27667 31.72000       55.10087 108.8000       41.75016 25.75459 11.32103 40.10661 10.51008 -14.35202      15.44757 
1 1 1 -24 22 19 o 15.22038 6.969297 -8.021113      23.38158 4.724277       29.27604 -30.47000      38.85378 18.67531 8.229018 17.11213 8.186689 1.563175       11.60770 
1 1 1 -24 22 20 o 22.81870 7.674084 30.38044       20.25716 -2.160435      28.04981 65.85291       29.28606 17.36377 7.824459 32.13943 8.969607 -14.77567      11.90277 
1 1 1 -24 22 21 o 12.20744 5.826972 -20.21300      19.44682 -19.28522      26.87328 -21.23298      28.17694 14.90304 7.036357 15.09237 7.149333 -0.1893358     10.03112 
1 1 1 -24 22 22 o 16.79569 7.238819 5.413830       21.61084 15.18000       31.67645 -3.089782      29.55807 20.62713 8.824812 17.53573 7.954252 3.091406       11.88055 
1 1 1 -24 22 23 o 41.24018 5.789565 93.95804       22.72802 80.68421       31.65827 108.0758       32.64917 35.23645 9.111744 41.99427 8.237261 -6.757820      12.28317 
1 1 1 -24 22 24 o 38.96591 6.013891 84.86297       22.20015 64.51479       29.97655 109.5792       33.03770 31.23227 9.191204 42.16735 8.300013 -10.93508      12.38420 
1 1 1 -24 22 25 o 39.55348 5.828677 87.10789       21.89063 74.31110       29.84776 102.0032       32.20219 33.75865 8.905739 40.37063 8.422038 -6.611977      12.25736 
1 1 1 -24 22 26 o 22.40912 7.654010 30.07003       20.15687 18.05242       27.15749 44.81133       30.07794 20.14287 8.367324 26.01179 9.315777 -5.868916      12.52181 
1 1 1 -24 22 27 o 32.51128 6.820547 62.33648       21.01127 33.12149       28.71303 96.01486       30.82846 23.20829 8.944478 39.02299 8.324915 -15.81470      12.21916 
1 1 1 -24 22 28 o 30.28071 8.053459 58.52494       24.28256 44.59386       29.15409 90.08000       43.87749 25.65112 9.173331 33.42429 11.29437 -7.773178      14.55035 
1 1 1 -24 22 29 o 25.94090 7.595598 42.29419       20.51618 24.17246       28.91057 60.67826       29.11907 21.18283 8.699772 29.65983 9.133841 -8.477007      12.61400 
1 1 1 -24 22 30 o 12.15231 5.808188 -18.79837      19.45490 -42.02690      27.69403 3.833802       27.33622 12.81669 6.304473 17.46195 7.807728 -4.645258      10.03529 
1 1 1 -24 22 31 o 28.66418 7.330203 50.97697       20.64520 48.10100       29.71400 53.66105       28.70555 26.20198 9.272326 27.72740 9.130168 -1.525415      13.01292 
1 1 1 -24 22 32 o 27.47445 7.535898 47.51530       20.87189 27.13361       30.17422 66.21392       28.90152 21.72971 8.902046 31.05911 8.992617 -9.329403      12.65360 
1 1 1 -24 22 33 o 15.99723 6.940443 5.652311       20.12938 -5.411943      27.98694 17.51007       28.97315 16.29221 7.519935 19.78894 8.452353 -3.496737      11.31334 
1 1 1 -24 22 34 o 31.72942 7.955283 64.95363       24.65845 103.6013       31.47170 3.506000       39.68359 39.99409 8.310977 19.44422 8.967538 20.54987       12.22657 
1 1 1 -24 22 35 o 18.04978 7.357191 15.22809       20.48216 16.36612       29.58659 14.18075       28.38318 19.63295 8.465852 19.10778 8.265798 0.5251713      11.83191 
1 1 1 -24 22 36 f 18.85880 7.689823 17.66632       22.38618 20.03000       35.19076 16.05962       29.01359 20.80947 9.100027 19.47616 8.390736 1.333307       12.37800 
1 1 1 -24 22 37 o 19.75909 8.158496 20.55188       25.60433 -31.11000      53.72651 35.73308       29.12437 18.61810 9.078191 23.04002 8.972945 -4.421919      12.76430 
1 1 1 -24 22 38 o 14.51713 6.842673 -13.31456      25.22058 -56.56000      55.11266 -1.859463      28.36486 17.45562 8.643158 16.66217 7.646827 0.7934532      11.54028 
1 1 1 -24 22 39 o 20.77649 8.388824 25.94153       26.33905 59.56000       55.41806 16.13144       29.93635 25.78510 11.34334 19.37078 8.433364 6.414322       14.13481 
1 1 1 -24 22 40 o 13.13156 6.363982 -26.41008      25.33739 -9.836000      52.99301 -31.32187      28.84853 19.48217 9.382818 13.69993 6.673897 5.782237       11.51426 
1 1 1 -24 22 41 o 18.52818 7.991737 15.61922       26.38008 -20.46000      53.80173 27.03853       30.26827 18.68216 9.103911 20.83210 8.756259 -2.149937      12.63144 
1 1 1 -24 22 42 o 25.93485 8.910376 50.91191       27.32708 84.02000       56.03772 40.58204       31.30120 27.26619 11.70278 23.11540 9.209126 4.150795       14.89171 
1 1 1 -24 23 1  o 30.65415 5.845975 51.37961       16.90095 22.64888       31.44882 63.04703       20.04096 22.47288 9.132700 33.77401 6.293687 -11.30113      11.09129 
1 1 1 -24 23 2  o 21.83338 6.869037 26.60580       16.37311 -24.08504      30.85651 46.47165       19.31682 15.85747 7.502804 28.53166 6.976012 -12.67419      10.24484 
1 1 1 -24 23 3  o 40.11278 4.750618 84.38737       18.29094 27.42227       32.79696 110.1040       22.03618 23.52592 9.408581 45.71829 5.005998 -22.19238      10.65746 
1 1 1 -24 23 4  o 45.49496 4.431614 107.4460       19.48491 76.18160       34.72156 121.8176       23.54112 34.51315 9.814085 48.04724 5.082516 -13.53409      11.05207 
1 1 1 -24 23 5  o 12.49600 5.780434 -10.32271      16.66990 -58.30545      29.76084 11.61415       20.12287 12.78376 6.333700 17.99049 7.307487 -5.206735      9.670321 
1 1 1 -24 23 6  o 20.17365 7.821288 19.10561       22.05082 33.43242       29.61966 1.293000       33.02699 24.39061 9.158488 19.32385 8.615049 5.066759       12.57366 
1 1 1 -24 23 7  o 12.82778 6.072812 -18.71681      20.27011 -16.66897      26.87270 -21.42000      30.87469 15.39509 7.194660 16.08297 7.577721 -0.6878777     10.44916 
1 1 1 -24 23 8  o 27.11932 7.872466 43.59678       22.12344 25.03520       29.32161 68.13000       33.70991 22.52712 8.933127 32.50970 9.791103 -9.982586      13.25392 
1 1 1 -24 23 9  o 49.39096 5.076221 128.9823       24.19215 128.9683       32.42224 129.0000       36.33722 47.73600 7.159434 46.76423 8.239271 0.9717636      10.91527 
1 1 1 -24 23 10 o 79.91799 3.756505 325.5735       29.30338 295.1000       52.46574 339.3895       35.32705 71.87990 7.570510 80.92781 4.477124 -9.047913      8.795298 
1 1 1 -24 23 11 o 14.98491 6.415412 3.067315       16.76212 -4.894485      26.31995 8.499980       21.74132 16.67170 7.539717 17.64896 7.419867 -0.9772549     10.57836 
1 1 1 -24 23 12 o 18.10597 7.138858 13.91200       18.62746 19.91000       30.98316 10.51675       23.31087 21.66791 8.963301 18.42640 7.710655 3.241503       11.82349 
1 1 1 -24 23 13 o 15.72629 6.709659 4.376339       18.22146 8.505113       26.97467 0.9112118      24.71185 18.86753 8.109070 17.03651 7.531312 1.831020       11.06696 
1 1 1 -24 23 14 o 22.43079 8.927232 25.65350       29.38478 -4.400000      52.63701 39.26000       35.41741 21.98766 10.20594 25.57390 9.913027 -3.586241      14.22776 
1 1 1 -24 23 15 o 35.34101 7.291761 72.68324       24.38698 -79.12000      53.99000 111.5943       27.33438 17.37445 8.594262 44.72951 6.427590 -27.35505      10.73197 
1 1 1 -24 23 16 o 36.65223 7.245039 78.03763       25.07078 38.92000       54.56947 88.50344       28.22603 26.44664 11.45082 38.68620 7.724599 -12.23955      13.81270 
1 1 1 -24 23 17 o 14.84752 7.120617 -28.91873      29.79004 -54.91000      51.38423 -15.76000      36.56143 18.05189 8.818629 17.85112 8.358532 0.2007656      12.15044 
1 1 1 -24 23 18 o 27.31623 9.710651 48.65527       32.62198 75.80000       55.74785 34.52000       40.22882 31.12078 12.32499 24.78686 10.22962 6.333923       16.01720 
1 1 1 -24 23 19 o 16.23594 7.336331 -3.661436      24.85601 -56.35000      52.97853 11.20998       28.14608 18.20784 8.907515 19.37879 8.305229 -1.170950      12.17870 
1 1 1 -24 23 20 o 17.05521 7.793046 -5.698639      29.03344 0.000000       0.000000 -5.698639      29.03344 ?        ?        17.05521 7.793046 ?              ?        
1 1 1 -24 23 21 o 46.00617 5.726863 116.4642       25.23252 92.08000       40.06591 132.4924       32.48358 35.85081 10.64556 47.69093 7.181174 -11.84013      12.84123 
1 1 1 -24 23 22 o 19.00622 7.437444 17.50456       20.08716 3.558347       27.69790 32.97755       29.17466 17.90829 7.942154 23.50198 9.026865 -5.593687      12.02340 
1 1 1 -24 23 23 o 14.92058 6.655961 -1.173385      19.74489 -24.80655      26.87572 26.54152       29.10422 14.19071 6.794355 22.05316 8.848251 -7.862447      11.15593 
1 1 1 -24 23 24 o 28.13957 7.426652 48.23679       20.75084 49.55457       28.03826 46.64084       30.85593 27.34651 9.024280 26.38240 9.436997 0.9641094      13.05736 
1 1 1 -24 23 25 o 27.99643 7.544993 48.32492       21.14023 44.98146       29.25194 51.98035       30.58627 25.95547 9.198534 27.53915 9.427876 -1.583679      13.17186 
1 1 1 -24 23 26 o 13.71960 6.340181 -8.644403      19.98206 -44.05114      26.94581 34.61617       29.78478 12.51780 6.169299 23.45134 9.090550 -10.93355      10.98628 
1 1 1 -24 23 27 o 33.79705 8.350341 74.00092       27.46147 -10.90000      55.08984 102.0734       31.67784 20.55588 9.810681 39.92345 8.374042 -19.36757      12.89861 
1 1 1 -24 23 28 o 19.75775 7.523934 21.76242       20.15442 -1.907375      28.38115 45.84194       28.62573 16.93173 7.724541 25.82893 9.104474 -8.897198      11.93985 
1 1 1 -24 23 29 o 28.71191 7.390664 51.45025       20.89294 57.91835       29.99523 45.35476       29.11844 28.53356 9.329597 25.53993 9.163693 2.993628       13.07726 
1 1 1 -24 23 30 o 25.55240 7.628087 41.43103       20.52869 23.84237       29.24039 58.52697       28.82792 21.02987 8.704228 28.97039 9.114607 -7.940514      12.60316 
1 1 1 -24 23 31 o 15.89074 6.860774 5.903403       19.47882 17.86418       27.81125 -5.613688      27.29055 19.72239 8.346973 16.11591 7.433995 3.606476       11.17749 
1 1 1 -24 23 32 o 14.38118 6.651724 -7.735370      22.06464 19.06240       28.12093 -50.66000      35.59046 19.92731 8.411498 14.28435 7.049434 5.642963       10.97487 
1 1 1 -24 23 33 o 13.75627 6.301656 -5.426071      19.14437 15.09131       26.63182 -27.36576      27.53944 18.97391 8.103919 13.85254 6.694395 5.121367       10.51135 
1 1 1 -24 23 34 o 18.91689 7.424844 19.20320       20.07011 16.48196       28.38586 21.92349       28.38098 19.45418 8.339094 20.40542 8.521140 -0.9512386     11.92268 
1 1 1 -24 23 35 o 23.17268 8.066351 35.00826       22.42511 41.28000       35.04666 30.66026       29.18083 24.15441 9.703311 22.09134 8.861156 2.063066       13.14056 
1 1 1 -24 23 36 o 18.44121 7.449461 17.27061       20.78150 1.886496       29.72848 31.97248       29.06181 17.41408 7.929598 22.21473 8.865866 -4.800653      11.89462 
1 1 1 -24 23 37 o 16.20114 7.016994 6.976157       20.50503 -15.25206      29.69707 27.22926       28.34700 15.45424 7.326296 21.21965 8.652966 -5.765409      11.33792 
1 1 1 -24 23 38 o 12.33442 5.898106 -17.97908      20.11441 -19.41345      29.03674 -16.65575      27.89005 14.82750 7.089237 14.80436 7.041695 0.2313614E-01  9.992134 
1 1 1 -24 23 39 o 29.26316 7.611563 56.01856       22.00533 25.48353       31.01757 86.96124       31.22394 20.78884 8.807416 34.86164 9.066306 -14.07280      12.63996 
1 1 1 -24 23 40 o 15.95304 6.987915 6.571139       20.82730 -23.90010      29.10361 38.55642       29.81789 14.26482 6.890754 22.96145 9.038623 -8.696630      11.36570 
1 1 1 -24 23 41 o 35.21003 6.904312 77.80379       22.94464 79.78202       32.40226 75.81420       32.49517 31.81888 9.602904 30.77738 9.676157 1.041494       13.63245 
1 1 1 -24 24 1  o 28.12685 6.498642 44.72375       17.53201 27.80419       31.07512 52.62388       21.23418 23.22805 9.201056 30.09317 7.287187 -6.865114      11.73723 
1 1 1 -24 24 2  o 26.43924 6.669019 39.85593       17.25440 55.63738       30.66215 32.54276       20.87286 29.61463 9.410688 23.70057 7.784565 5.914061       12.21313 
1 1 1 -24 24 3  o 18.92097 6.943011 17.97006       16.84175 2.680653       30.16719 24.89320       20.29976 18.76852 8.307919 21.39783 7.654338 -2.629307      11.29648 
1 1 1 -24 24 4  o 23.56212 7.037275 31.89762       17.46866 -3.639543      29.90379 50.30643       21.52275 17.81798 8.049431 29.27106 7.483829 -11.45309      10.99095 
1 1 1 -24 24 5  o 23.88801 7.200480 32.99266       18.22577 -7.376635      30.89303 54.54488       22.57257 17.58340 8.036044 30.41184 7.603703 -12.82844      11.06320 
1 1 1 -24 24 6  o 14.23035 6.286511 -1.309790      17.18988 -24.86341      29.27717 11.08186       21.23562 15.19758 7.224720 18.04907 7.438944 -2.851488      10.36988 
1 1 1 -24 24 7  o 34.15294 5.929111 64.16835       19.10234 50.45950       31.24708 72.34908       24.13819 28.17173 9.531113 35.43048 7.205850 -7.258751      11.94849 
1 1 1 -24 24 8  o 45.05611 5.944399 110.9402       25.57714 98.44818       32.74134 130.5000       40.96960 40.23994 8.574997 45.51458 9.503396 -5.274632      12.80020 
1 1 1 -24 24 9  o 35.07400 7.189512 71.11047       23.85281 48.47514       30.66280 105.8000       37.95925 27.62773 9.440155 40.56891 9.692161 -12.94118      13.52976 
1 1 1 -24 24 10 o 13.24082 6.194309 -14.05322      20.00486 -27.18923      25.32484 7.746000       32.62387 13.66465 6.556483 19.89729 8.729834 -6.232637      10.91776 
1 1 1 -24 24 11 o 24.20843 7.971496 34.84769       21.88203 8.280209       27.71738 78.80000       35.65068 18.91720 8.175792 34.34818 10.00008 -15.43097      12.91685 
1 1 1 -24 24 12 o 28.18497 6.950650 46.16290       19.05347 23.57033       28.14546 65.27562       25.88730 21.80162 8.716933 32.78308 8.111990 -10.98146      11.90753 
1 1 1 -24 24 13 o 27.64870 7.087330 44.78601       19.26817 37.76122       28.64294 50.59255       26.04111 24.92633 9.068880 28.43282 8.614812 -3.506483      12.50838 
1 1 1 -24 24 14 o 30.01880 7.247872 53.11216       21.05327 61.77000       34.32478 47.89072       26.65620 30.25001 9.984940 27.54546 8.776882 2.704544       13.29408 
1 1 1 -24 24 15 o 21.01486 8.095398 23.03556       23.51272 37.64624       29.57908 -2.044000      38.75336 24.83182 9.185707 19.70827 9.004635 5.123545       12.86315 
1 1 1 -24 24 16 o 36.41999 9.242268 85.57011       32.99693 90.14000       56.07821 83.15000       40.80933 33.15976 12.56842 34.04603 10.86106 -0.8862686     16.61108 
1 1 1 -24 24 17 o 21.42254 8.366906 24.17730       25.38134 -13.43000      55.31506 34.20695       28.56607 21.29538 10.06667 23.92145 8.991621 -2.626070      13.49767 
1 1 1 -24 24 18 o 30.18023 8.493628 57.59742       26.14429 26.88000       56.43265 65.99210       29.50122 24.79443 11.14188 31.86357 9.041484 -7.069136      14.34886 
1 1 1 -24 24 19 o 24.12845 9.162322 35.76048       29.83526 0.000000       0.000000 35.76048       29.83526 ?        ?        24.12845 9.162322 ?              ?        
1 1 1 -24 24 20 o 15.77270 7.398118 -15.31583      28.85260 0.000000       0.000000 -15.31583      28.85260 ?        ?        15.77270 7.398118 ?              ?        
1 1 1 -24 24 21 o 24.96416 8.799459 39.85577       26.73973 18.81000       55.92855 46.09202       30.44479 23.58849 10.79263 26.30866 9.378000 -2.720169      14.29782 
1 1 1 -24 24 22 f 32.44350 8.457659 67.38333       27.12921 145.4000       59.87711 47.23090       30.43203 40.52375 13.17699 26.50865 9.383421 14.01510       16.17658 
1 1 1 -24 24 23 o 22.65616 7.812757 31.18839       21.01554 8.651847       29.05912 55.90002       30.42913 18.79277 8.242344 28.55395 9.400177 -9.761179      12.50198 
1 1 1 -24 24 24 o 30.05204 7.367154 55.27127       21.50087 38.19025       29.69608 74.09138       31.17117 24.23037 9.154614 32.94944 9.274775 -8.719074      13.03182 
1 1 1 -24 24 25 o 19.36293 7.869877 18.34854       23.35652 24.03852       28.30068 6.195000       41.36120 21.09515 8.629262 20.23919 9.268110 0.8559628      12.66341 
1 1 1 -24 24 26 o 40.52865 7.300606 99.47216       27.89686 95.85000       57.15012 100.6052       31.96362 31.59980 12.49028 39.36638 8.541158 -7.766575      15.13138 
1 1 1 -24 24 27 o 18.10193 7.356303 15.16825       20.40414 35.63754       28.52048 -6.292851      29.20327 23.34401 8.935456 16.51982 7.644964 6.824194       11.75959 
1 1 1 -24 24 28 o 18.79075 7.393479 18.40071       19.94325 16.65451       28.10727 20.17116       28.30178 19.56741 8.340436 20.21082 8.479309 -0.6434097     11.89376 
1 1 1 -24 24 29 o 20.13652 7.557960 23.44211       20.16718 12.95683       28.17150 34.46386       28.88321 18.97516 8.221625 23.08041 8.950494 -4.105249      12.15345 
1 1 1 -24 24 30 o 19.27418 7.488708 20.43002       20.24883 14.25134       28.37468 26.84183       28.90503 19.12015 8.267849 21.41046 8.735100 -2.290314      12.02744 
1 1 1 -24 24 31 o 30.25191 7.862575 59.00157       23.49290 51.69298       29.73596 71.14000       38.32185 26.83753 9.291595 29.83395 10.53258 -2.996424      14.04525 
1 1 1 -24 24 32 o 15.63420 6.806283 4.930836       19.49736 13.68654       27.63297 -3.749818      27.51428 18.85562 8.156271 16.31127 7.502476 2.544348       11.08205 
1 1 1 -24 24 33 o 22.52017 7.704927 32.35799       20.42776 19.43608       29.41996 44.38775       28.38619 20.03368 8.535878 25.10242 9.042604 -5.068741      12.43503 
1 1 1 -24 24 34 o 20.13697 7.768297 23.72627       21.67313 17.59000       33.27984 28.24532       28.55963 20.16463 8.832979 21.53830 8.721293 -1.373674      12.41300 
1 1 1 -24 24 35 o 30.78020 7.139998 59.03715       21.09417 98.15704       30.32965 22.38505       29.35743 38.62703 8.271150 20.38998 8.599962 18.23705       11.93194 
1 1 1 -24 24 36 o 20.04001 7.607852 23.99771       20.56717 31.44523       29.64828 17.08920       28.55525 22.05615 8.902104 19.38843 8.338241 2.667715       12.19728 
1 1 1 -24 24 37 o 21.06798 7.695761 28.20147       20.65556 32.07943       29.29163 24.36572       29.13176 22.01296 8.861194 20.56145 8.613001 1.451513       12.35737 
1 1 1 -24 24 38 o 13.47464 6.274178 -8.306969      20.13751 -12.09846      28.84971 -4.704404      28.12173 15.39022 7.273646 16.03934 7.450026 -0.6491203     10.41195 
1 1 1 -24 24 39 o 15.26129 6.800252 3.147854       20.54979 2.136953       28.75411 4.203210       29.37956 16.86969 7.726049 17.24281 7.863685 -0.3731155     11.02404 
1 1 1 -24 24 40 o 13.87752 6.424492 -5.475503      20.65095 -29.86506      28.56040 21.24669       29.89498 13.53789 6.604999 19.58649 8.477975 -6.048600      10.74719 
1 1 1 -24 25 1  o 20.99833 7.241201 24.56553       18.05319 -40.25024      31.45448 56.40526       22.04585 14.43469 7.017552 30.95387 7.380563 -16.51918      10.18424 
1 1 1 -24 25 2  o 26.20277 6.992363 40.00499       18.26690 17.33880       31.44799 51.54670       22.44083 21.14458 8.908614 29.33625 7.713985 -8.191668      11.78427 
1 1 1 -24 25 3  o 24.21070 7.086422 34.18818       17.86054 36.62977       31.46757 33.02779       21.69347 24.80878 9.412189 23.67064 7.941317 1.138138       12.31478 
1 1 1 -24 25 4  o 27.96548 6.776954 45.15029       18.35433 5.040279       30.82117 67.19094       22.84731 19.08074 8.424026 34.06715 7.082890 -14.98641      11.00598 
1 1 1 -24 25 5  o 33.48314 6.000589 62.23893       18.94408 13.99087       31.07229 90.78315       23.89970 20.49806 8.754156 40.38879 6.246826 -19.89074      10.75445 
1 1 1 -24 25 6  o 42.12330 4.893650 94.24056       19.80210 54.27465       32.23371 118.4666       25.09612 28.78250 9.680386 46.74257 5.596239 -17.96007      11.18158 
1 1 1 -24 25 7  o 15.83442 6.660962 6.111737       17.53772 28.80374       30.63936 -4.945671      21.38799 23.10360 9.141207 15.02382 6.795363 8.079786       11.39029 
1 1 1 -24 25 8  o 29.47490 6.766702 50.09687       19.10920 18.84163       30.50686 70.27912       24.51438 21.19441 8.841349 34.53088 7.470306 -13.33646      11.57475 
1 1 1 -24 25 9  o 40.52672 8.568820 101.0100       32.92710 101.0100       32.92710 0.000000       0.000000 40.52672 8.568820 ?        ?        ?              ?        
1 1 1 -24 25 10 o 28.54662 8.284985 50.50482       24.50516 12.57478       29.75288 130.5000       43.20850 19.94509 8.543281 44.28474 10.18117 -24.33965      13.29075 
1 1 1 -24 25 11 o 17.99325 7.509714 10.78968       22.02553 8.694725       27.77380 14.34000       36.15606 18.88808 8.173671 21.26437 9.262800 -2.376286      12.35348 
1 1 1 -24 25 12 o 19.06710 7.719201 15.48657       22.36880 24.45995       28.65375 1.485000       35.79250 21.90170 8.782247 19.50968 8.810716 2.392023       12.44012 
1 1 1 -24 25 13 o 23.52129 8.234632 33.04379       23.38970 34.10881       30.02558 31.40000       37.30218 23.98576 9.171400 23.95626 9.864984 0.2950287E-01  13.46969 
1 1 1 -24 25 14 o 57.03900 5.251100 174.9423       28.98878 176.5735       35.92947 171.9000       49.06773 55.78457 6.714944 50.77807 10.22626 5.006496       12.23384 
1 1 1 -24 25 15 o 34.91156 7.601091 73.03725       25.23656 64.27487       31.45759 88.86000       42.27224 31.01627 9.482787 34.74900 11.05049 -3.732727      14.56148 
1 1 1 -24 25 16 o 29.28215 7.672949 52.33652       22.25312 31.94000       35.27643 65.81763       28.67936 23.67313 9.653051 31.87047 8.869432 -8.197342      13.10909 
1 1 1 -24 25 17 o 14.24805 6.658704 -13.28872      23.01952 4.674377       28.46795 -47.22000      39.12603 18.21229 8.065682 15.71400 7.680540 2.498287       11.13759 
1 1 1 -24 25 18 o 50.49380 6.960733 147.7961       33.48891 0.000000       0.000000 147.7961       33.48891 ?        ?        50.49380 6.960733 ?              ?        
1 1 1 -24 25 19 o 22.49386 8.578302 29.90211       26.22296 58.04000       59.75603 23.19108       29.18304 27.61785 11.97021 21.34253 8.750285 6.275316       14.82746 
1 1 1 -24 25 20 o 14.34072 6.798153 -18.93371      25.56498 24.69000       55.80858 -30.51873      28.75994 23.97520 10.89670 14.18656 6.852215 9.788638       12.87210 
1 1 1 -24 25 21 f 21.85434 8.553436 27.35762       26.57142 -15.73000      57.15176 39.23975       30.01238 20.80748 9.947661 24.57731 9.221018 -3.769836      13.56404 
1 1 1 -24 25 22 o 18.99247 8.097229 13.44783       26.50267 6.961000       58.87289 15.09649       29.68010 22.43095 10.53592 19.78945 8.505662 2.641499       13.54075 
1 1 1 -24 25 23 o 21.38038 8.660166 25.59164       28.17113 61.79000       58.63587 14.72875       32.12119 27.24656 11.83308 19.98271 8.717158 7.263857       14.69730 
1 1 1 -24 25 24 o 19.06214 8.160927 14.16743       27.12400 -7.889000      57.79831 20.39682       30.71642 20.96177 10.01662 20.61006 8.749487 0.3517189      13.29985 
1 1 1 -24 25 25 o 19.00016 7.509358 18.82096       20.65568 -8.071973      28.39891 49.02850       30.09818 16.11487 7.485635 26.31974 9.330348 -10.20488      11.96203 
1 1 1 -24 25 26 o 12.81311 6.053384 -14.46035      19.94679 -18.88956      27.87163 -9.809986      28.55896 14.77532 7.031143 15.91529 7.430922 -1.139964      10.23013 
1 1 1 -24 25 27 o 19.42881 7.583121 20.57486       20.83740 -7.155937      29.13460 49.61448       29.81422 16.37580 7.598302 26.44343 9.294003 -10.06763      12.00469 
1 1 1 -24 25 28 o 16.87726 7.087274 10.42945       19.80029 -9.552163      27.51903 31.87758       28.51100 15.67418 7.310407 22.43460 8.836157 -6.760421      11.46820 
1 1 1 -24 25 29 o 13.08429 6.128787 -11.37245      19.68725 -8.427134      27.32179 -14.55326      28.39304 15.70730 7.311883 15.29969 7.226339 0.4076080      10.28025 
1 1 1 -24 25 30 o 27.37015 8.279819 50.29858       24.06844 81.93925       29.66348 -10.67000      41.17678 34.77306 8.729301 18.25253 8.645222 16.52052       12.28579 
1 1 1 -24 25 31 o 22.89701 7.609438 33.50699       19.92573 24.75254       28.23640 42.19090       28.12241 20.85412 8.584743 24.58036 8.979512 -3.726238      12.42294 
1 1 1 -24 25 32 o 21.67216 7.867788 29.67182       21.54228 34.79000       33.59166 26.09649       28.07575 22.90662 9.389371 21.07169 8.604339 1.834929       12.73558 
1 1 1 -24 25 33 o 15.54990 6.794973 4.639926       19.58918 -22.01473      27.93221 30.43831       27.47989 14.37604 6.894636 21.87505 8.656456 -7.499009      11.06663 
1 1 1 -24 25 34 o 16.90225 7.077866 11.49399       19.66279 4.823188       27.26809 18.71992       28.38000 17.26420 7.752563 19.61286 8.370932 -2.348654      11.40941 
1 1 1 -24 25 35 o 20.06420 7.567184 24.25328       20.26986 17.59651       28.88043 30.71588       28.45611 19.47509 8.380669 21.83633 8.753319 -2.361237      12.11842 
1 1 1 -24 25 36 o 19.42281 7.505294 22.27880       20.25496 35.39579       28.60778 9.093612       28.68204 22.60699 8.867105 17.99292 8.024598 4.614071       11.95909 
1 1 1 -24 25 37 o 17.73615 7.279441 15.69466       20.22418 9.301964       28.68022 22.01748       28.52306 17.90890 8.003187 19.89109 8.437260 -1.982189      11.62920 
1 1 1 -24 25 38 o 16.86326 7.126572 12.20241       20.22478 -1.691757      28.67648 25.95346       28.52841 16.34012 7.566664 20.40067 8.532941 -4.060549      11.40462 
1 1 1 -24 25 39 o 17.82613 7.348680 16.76784       20.72945 18.80563       28.70694 14.54749       29.96526 19.05994 8.278613 18.55022 8.241940 0.5097160      11.68182 
1 1 1 -24 26 1  o 24.82150 7.322907 36.60684       19.00859 19.54924       31.70923 46.17508       23.74886 21.39125 8.974943 27.31176 8.216492 -5.920506      12.16800 
1 1 1 -24 26 2  o 28.78587 6.892862 48.32441       19.16445 48.87806       31.87186 48.01088       23.98478 27.32730 9.608987 27.82793 8.229893 -0.5006371     12.65163 
1 1 1 -24 26 3  o 33.73093 6.100266 63.70903       19.39991 22.95096       32.03522 87.31201       24.37835 22.01119 9.110586 39.22611 6.582187 -17.21492      11.23957 
1 1 1 -24 26 4  o 15.44504 6.578353 4.717793       17.46227 -6.007270      29.79665 10.32827       21.55101 17.24151 7.884477 17.77254 7.423790 -0.5310230     10.82948 
1 1 1 -24 26 5  o 18.36964 7.026157 16.28548       17.62563 10.87161       29.81738 19.19325       21.85219 19.63429 8.482766 19.82686 7.757690 -0.1925735     11.49518 
1 1 1 -24 26 6  o 16.17398 6.803444 6.872317       18.29452 -36.35599      29.65797 33.42382       23.24351 14.13620 6.858931 23.64026 8.213224 -9.504064      10.70056 
1 1 1 -24 26 7  o 38.85533 5.594135 82.60341       20.66367 52.84666       33.25283 101.3224       26.37405 28.12297 9.820418 42.28614 6.586397 -14.16316      11.82460 
1 1 1 -24 26 8  f 31.85406 6.612767 58.25978       19.94285 38.14455       31.68279 71.45963       25.66523 24.88100 9.443223 34.41547 7.799697 -9.534464      12.24785 
1 1 1 -24 26 9  o 38.42654 5.632407 81.01112       20.55643 68.24783       32.53791 89.48922       26.51904 31.92288 9.620506 39.17883 7.179627 -7.255947      12.00422 
1 1 1 -24 26 10 o 23.39837 7.711649 32.72946       20.47706 -16.30746      31.27918 69.50734       27.08863 16.39430 7.693891 33.42427 8.314108 -17.02997      11.32786 
1 1 1 -24 26 11 o 37.41178 7.721115 84.08652       27.33652 58.22456       33.83541 132.7000       46.38943 29.15933 9.917459 43.25760 10.94819 -14.09826      14.77223 
1 1 1 -24 26 12 o 36.64392 9.365290 88.38734       33.71379 88.38734       33.71379 0.000000       0.000000 36.64392 9.365290 ?        ?        ?              ?        
1 1 1 -24 26 13 o 17.23185 7.918980 -6.331137      30.56130 -6.331137      30.56130 0.000000       0.000000 17.23185 7.918980 ?        ?        ?              ?        
1 1 1 -24 26 14 o 21.07985 8.213255 24.00638       24.41026 1.712106       30.64605 62.70000       40.37362 18.24439 8.203578 29.20234 10.74413 -10.95795      13.51795 
1 1 1 -24 26 15 o 14.97999 6.870742 -7.176672      22.85334 -15.47764      29.15055 6.062000       36.81328 15.79536 7.417449 19.95117 8.979404 -4.155817      11.64681 
1 1 1 -24 26 16 o 35.11753 7.141316 73.22779       23.71054 60.13000       37.36600 82.05656       30.67805 28.78506 10.37404 35.52250 8.854614 -6.737440      13.63910 
1 1 1 -24 26 17 o 50.40908 5.298480 138.5651       25.75327 167.4000       41.78758 120.9061       32.70175 51.56325 8.580875 44.60773 7.771841 6.955521       11.57726 
1 1 1 -24 26 18 o 18.07386 7.421257 13.45578       21.03151 -16.57659      29.79605 43.27541       29.69032 15.77346 7.435663 25.53218 9.241223 -9.758718      11.86125 
1 1 1 -24 26 19 o 18.12678 8.314082 -2.280137      33.46394 -73.53000      56.44295 36.34000       41.55513 17.44604 8.657330 24.21626 10.22371 -6.770212      13.39677 
1 1 1 -24 26 20 o 25.21549 8.858372 42.31989       27.08265 66.98000       57.39769 35.25731       30.71700 28.05409 11.93690 23.52611 9.199792 4.527981       15.07069 
1 1 1 -24 26 21 o 33.83286 8.522877 75.15823       28.20668 17.06000       57.86149 93.26868       32.30523 22.85994 10.64122 37.35209 8.952622 -14.49215      13.90629 
1 1 1 -24 26 22 o 21.87152 9.304770 25.98731       34.86615 13.77000       57.60664 33.05000       43.79955 22.45606 10.50734 23.43279 10.20135 -0.9767380     14.64485 
1 1 1 -24 26 23 o 28.09884 9.022121 55.04189       28.12572 -13.15000      57.67641 76.31713       32.21581 20.48559 9.846227 32.71961 9.500404 -12.23402      13.68232 
1 1 1 -24 26 24 o 21.81212 8.655422 29.14780       27.54442 -10.45000      56.67654 41.39243       31.51670 20.44219 9.808436 24.38188 9.377719 -3.939688      13.57008 
1 1 1 -24 26 25 o 28.28829 7.662628 51.08088       21.73796 34.63151       30.01289 69.23209       31.52723 23.02998 9.067357 30.96688 9.498137 -7.936899      13.13132 
1 1 1 -24 26 26 o 47.86438 5.037800 125.5105       23.24910 82.71365       32.48910 170.4262       33.28369 34.20080 9.410499 54.15472 6.402657 -19.95392      11.38207 
1 1 1 -24 26 27 o 22.31284 7.796234 31.71638       20.95929 15.22117       29.06674 49.58251       30.25051 19.30849 8.358672 26.15853 9.345430 -6.850044      12.53812 
1 1 1 -24 26 28 o 39.43328 6.904849 93.64671       25.68103 89.83624       31.95211 100.6000       43.16232 36.06126 9.063779 34.74548 11.17853 1.315788       14.39137 
1 1 1 -24 26 29 o 21.15576 8.114820 27.59961       23.55546 11.95010       28.57687 60.77000       41.60444 18.66429 8.180178 27.10080 10.67400 -8.436516      13.44803 
1 1 1 -24 26 30 o 18.05379 7.345419 15.74153       20.37222 -16.22888      28.55453 48.88537       29.07383 15.11235 7.169980 26.03118 9.175482 -10.91883      11.64466 
1 1 1 -24 26 31 o 17.12203 7.273914 10.73043       21.25548 23.94000       33.45069 1.784932       27.52726 21.05802 9.040023 16.96651 7.688127 4.091513       11.86715 
1 1 1 -24 26 32 o 16.96411 7.090760 11.76086       19.68010 -1.015105      27.75349 24.68216       27.91091 16.57474 7.590763 20.64112 8.519914 -4.066380      11.41090 
1 1 1 -24 26 33 o 17.38645 7.163792 13.79320       19.68626 30.81686       28.33375 -2.094736      27.37230 21.80709 8.736909 16.31946 7.497759 5.487629       11.51303 
1 1 1 -24 26 34 o 16.79605 7.087632 10.91307       19.95599 41.49479       28.48880 -18.54941      27.96262 24.08055 8.994290 14.62595 6.983016 9.454595       11.38683 
1 1 1 -24 26 35 o 12.84985 6.057335 -12.14139      19.77158 -21.29954      27.68924 -2.614345      28.24142 14.20741 6.827006 16.31417 7.538582 -2.106757      10.17046 
1 1 1 -24 26 36 o 27.38147 7.638655 50.05397       21.24428 31.00465       30.13699 68.86985       29.95177 21.48999 8.860018 30.14020 9.260219 -8.650211      12.81607 
1 1 1 -24 26 37 o 17.84554 7.295842 16.95688       20.21605 12.79449       28.42081 21.21976       28.76188 18.15384 8.048406 19.51147 8.379422 -1.357624      11.61859 
1 1 1 -24 26 38 o 14.43840 6.531611 0.1145321      19.76921 4.951126       27.32401 -5.198438      28.63803 16.80285 7.632050 15.81294 7.402048 0.9899187      10.63196 
1 1 1 -24 27 1  o 58.06204 5.121363 180.8161       28.80805 134.9729       36.79760 253.4000       46.30222 46.98089 8.305618 66.00742 7.287613 -19.02654      11.04955 
1 1 1 -24 27 2  o 54.18531 4.236708 153.2869       22.29216 94.99490       34.75975 194.0118       29.05376 38.08186 9.386163 60.30806 4.965719 -22.22620      10.61878 
1 1 1 -24 27 3  o 28.27288 7.013210 47.22889       19.31418 27.91022       31.35858 59.03671       24.51618 22.69028 9.156257 30.90273 8.032112 -8.212450      12.17998 
1 1 1 -24 27 4  o 28.49895 7.036831 48.04082       19.51081 9.473212       31.07916 73.12715       25.06552 19.53244 8.546499 34.93674 7.550358 -15.40431      11.40397 
1 1 1 -24 27 5  o 16.36961 6.851618 7.920507       18.41278 -28.34498      29.48369 31.10756       23.57534 14.69689 7.057676 22.87803 8.240860 -8.181139      10.85000 
1 1 1 -24 27 6  o 29.75551 7.022154 52.30352       20.12068 13.17653       31.29240 79.88187       26.27150 20.10358 8.687795 36.48016 7.604195 -16.37658      11.54563 
1 1 1 -24 27 7  o 46.86039 4.838343 117.2323       21.87389 45.49889       33.28460 171.7639       29.02062 26.20670 9.734847 56.31430 5.328161 -30.10760      11.09759 
1 1 1 -24 27 8  o 44.22163 5.015903 105.2538       21.32847 106.0289       33.85586 104.7438       27.46346 40.91586 8.720294 42.57821 6.819736 -1.662350      11.07034 
1 1 1 -24 27 9  o 26.60495 7.519372 43.25248       20.44559 20.35502       32.33245 58.50937       26.39235 21.30250 9.007056 30.16302 8.549425 -8.860516      12.41852 
1 1 1 -24 27 10 o 39.87063 5.902467 88.76092       22.34030 73.84978       34.37895 99.65977       29.39189 32.52958 9.907032 40.66772 7.664718 -8.138145      12.52586 
1 1 1 -24 27 11 o 27.95338 8.268400 49.68518       24.20807 35.24911       32.58809 67.46000       36.16071 23.96437 9.444333 30.64340 10.25251 -6.679028      13.93949 
1 1 1 -24 27 12 o 19.75055 8.001991 18.55702       24.05866 19.46540       31.27372 17.24000       37.65663 20.93570 8.855471 21.43144 9.391672 -0.4957428     12.90825 
1 1 1 -24 27 13 o 41.50684 6.763955 100.1141       26.53518 74.66814       33.56819 142.5000       43.32413 32.70239 9.752401 45.70148 9.966308 -12.99908      13.94405 
1 1 1 -24 27 14 o 33.24457 8.013959 69.25133       25.77076 50.35226       33.17947 97.99000       40.91501 26.89645 9.764321 36.28988 10.75321 -9.393433      14.52493 
1 1 1 -24 27 15 o 37.96679 7.976976 89.35010       28.70089 84.68000       39.12691 94.79000       42.22872 33.69640 10.62096 35.19008 11.02590 -1.493675      15.30932 
1 1 1 -24 27 16 o 16.83680 7.475191 2.815153       24.60405 14.67655       31.12307 -16.95000      40.17580 19.97825 8.648951 17.99262 8.527225 1.985636       12.14570 
1 1 1 -24 27 17 o 15.23375 7.013543 -6.969919      24.12524 6.469393       30.37855 -29.92000      39.69818 18.55944 8.269092 16.78710 8.093927 1.772339       11.57106 
1 1 1 -24 27 18 o 14.71160 6.678870 -3.605620      20.89326 11.58207       29.35013 -19.20888      29.74896 19.05880 8.323041 15.34157 7.290169 3.717237       11.06434 
1 1 1 -24 27 19 o 31.87039 7.675741 63.92706       23.65804 44.40000       35.26238 79.91187       31.90415 25.03558 9.837075 33.83043 9.331996 -8.794847      13.55929 
1 1 1 -24 27 20 o 15.43820 7.005733 -2.382066      22.95818 -2.533306      27.06465 -1.994000      43.35320 16.47139 7.525485 19.53681 9.132865 -3.065416      11.83394 
1 1 1 -24 27 21 o 19.75721 8.857285 11.31894       35.43025 -8.177000      53.56794 26.48000       47.23866 20.27740 9.676793 22.68983 10.19522 -2.412432      14.05642 
1 1 1 -24 27 22 o 23.33971 8.918153 36.39890       28.37736 12.77000       56.90241 44.22085       32.73907 22.04432 10.35551 24.85684 9.558506 -2.812527      14.09261 
1 1 1 -24 27 23 o 24.84242 8.976738 42.72704       28.00053 42.52000       57.11626 42.79253       32.12585 24.64567 11.13010 24.61763 9.468036 0.2803230E-01  14.61242 
1 1 1 -24 27 24 o 22.46163 8.760086 32.24406       27.79036 11.65000       57.22922 38.59870       31.79011 22.02701 10.35923 23.78929 9.342361 -1.762280      13.94967 
1 1 1 -24 27 25 o 21.03846 8.536798 25.99043       27.43008 103.6000       58.99954 4.589154       30.98210 31.42331 12.60140 18.06355 8.173645 13.35976       15.02011 
1 1 1 -24 27 26 o 21.12599 7.741976 27.61828       20.93011 28.73058       29.10682 26.42733       30.11836 21.66022 8.792099 21.28952 8.824838 0.3706951      12.45708 
1 1 1 -24 27 27 o 20.69465 8.161441 25.57980       24.35122 32.84179       29.78468 10.94000       42.28952 22.42479 8.966816 20.32509 9.331239 2.099705       12.94124 
1 1 1 -24 27 28 o 38.09546 6.279727 85.12629       22.60121 70.81519       31.58708 100.1394       32.35254 30.99177 9.507405 38.40802 8.795384 -7.416250      12.95182 
1 1 1 -24 27 29 o 29.75207 7.478848 56.43172       21.75279 53.10303       30.58235 59.84029       30.94707 26.74994 9.412051 28.32101 9.484797 -1.571074      13.36219 
1 1 1 -24 27 30 o 22.55347 8.072667 33.39079       22.58288 31.23000       35.04310 34.92550       29.53314 22.21083 9.383369 22.75384 8.983485 -0.5430107     12.99041 
1 1 1 -24 27 31 o 19.97864 7.567666 24.10497       20.32329 28.36489       29.45547 20.23444       28.07700 21.34504 8.775493 19.77252 8.378307 1.572523       12.13282 
1 1 1 -24 27 32 o 17.57386 7.195456 14.70063       19.69997 19.83239       27.97763 9.654284       27.74378 19.67875 8.352064 17.99286 7.965771 1.685890       11.54168 
1 1 1 -24 27 33 o 15.41169 6.743955 5.000075       19.35504 24.99172       27.65365 -14.19781      27.09910 20.48549 8.470510 14.77625 7.003014 5.709245       10.99053 
1 1 1 -24 27 34 o 21.04730 7.648930 28.74774       20.36770 31.65725       28.88921 25.87219       28.72010 21.67144 8.772822 20.57570 8.580524 1.095747       12.27142 
1 1 1 -24 27 35 o 16.52841 6.988624 11.24180       19.46568 -7.467124      26.89940 31.80972       28.20419 15.29413 7.163917 21.51027 8.682306 -6.216138      11.25629 
1 1 1 -24 27 36 o 20.69404 7.600778 28.50406       20.19158 11.58233       27.79826 47.40316       29.37756 17.80506 7.922962 24.50498 9.137344 -6.699923      12.09398 
1 1 1 -24 27 37 o 11.81218 5.685505 -18.39266      19.39009 -5.537651      26.27432 -33.76712      28.73393 15.20169 7.107487 13.20479 6.480583 1.996898       9.618437 
1 1 1 -24 28 1  o 25.13305 7.313347 38.31167       19.07198 -25.96380      32.18861 73.08378       23.67528 15.55850 7.445586 35.11897 7.131026 -19.56047      10.30962 
1 1 1 -24 28 2  o 21.76916 7.508133 27.98562       19.40897 -5.171546      32.54797 46.28247       24.17817 17.75261 8.163430 26.92707 8.328292 -9.174454      11.66199 
1 1 1 -24 28 3  o 20.36639 7.478953 23.20557       19.54795 13.05787       31.58298 29.50700       24.88795 19.98239 8.681312 22.35396 8.394850 -2.371569      12.07637 
1 1 1 -24 28 4  o 30.39802 7.080490 55.12928       20.67409 -9.749301      32.05519 101.3373       27.05244 17.11147 7.950061 41.73847 6.859707 -24.62700      10.50043 
1 1 1 -24 28 5  o 40.56614 5.540956 90.75707       21.42715 35.54073       32.63971 132.5748       28.40487 23.95295 9.448112 48.56326 6.110529 -24.61030      11.25191 
1 1 1 -24 28 6  o 16.43861 6.997337 7.107724       19.73682 -7.352905      30.37982 17.66848       25.96206 16.95988 7.830501 19.83283 8.204627 -2.872946      11.34163 
1 1 1 -24 28 7  o 26.30975 7.640071 42.90702       20.83333 9.569793       31.47577 68.89835       27.79238 19.37401 8.534902 32.62431 8.587540 -13.25030      12.10745 
1 1 1 -24 28 8  o 49.27134 4.894077 130.5793       23.29155 100.9322       35.50959 152.9661       30.85677 38.71755 9.453298 52.03294 6.179023 -13.31539      11.29359 
1 1 1 -24 28 9  f 16.60119 7.739950 -10.87003      30.80296 -10.87003      30.80296 0.000000       0.000000 16.60119 7.739950 ?        ?        ?              ?        
1 1 1 -24 28 10 f 57.94798 5.211104 182.5699       29.24258 142.2253       37.20246 247.8000       47.30454 47.76683 8.255311 64.03478 7.701518 -16.26796      11.28998 
1 1 1 -24 28 11 o 18.48822 7.451424 15.69531       20.74021 3.428046       30.24659 26.58212       28.49398 18.21697 8.173934 21.79951 8.752064 -3.582542      11.97547 
1 1 1 -24 28 12 o 21.89582 7.846304 28.84698       21.34069 11.80511       31.79386 42.82062       28.78984 19.64861 8.619477 25.33755 9.109286 -5.688940      12.54091 
1 1 1 -24 28 13 o 16.64067 7.263094 5.322139       22.32443 49.24000       36.46433 -21.00848      28.23438 26.21894 10.08628 14.80462 7.053995 11.41432       12.30820 
1 1 1 -24 28 14 o 21.02431 8.498135 24.24196       27.06275 -22.26000      36.49974 81.02000       40.33150 16.68008 7.967676 32.13149 10.82838 -15.45142      13.44387 
1 1 1 -24 28 15 o 45.17689 6.430670 118.2361       27.63462 115.0895       35.05739 123.4000       44.91011 41.80621 8.843601 39.92062 11.09495 1.885590       14.18828 
1 1 1 -24 28 16 o 20.33861 8.147684 22.76336       24.63815 26.52579       30.57829 15.80000       41.59953 21.58498 8.914428 21.12368 9.522838 0.4612961      13.04421 
1 1 1 -24 28 17 o 18.01514 7.715793 11.51762       24.26369 14.33529       29.98990 6.178000       41.28425 19.43461 8.451266 20.00103 9.196112 -0.5664158     12.48969 
1 1 1 -24 28 18 o 13.13638 6.326690 -24.26355      24.09541 -18.65888      29.27692 -36.03000      42.42025 15.16636 7.214098 16.68820 8.121368 -1.521845      10.86277 
1 1 1 -24 28 19 o 18.86045 7.776303 17.11029       23.21706 34.06146       32.42258 -0.7291516     33.26123 22.88787 9.283425 17.89691 8.238009 4.990967       12.41156 
1 1 1 -24 28 20 o 27.34566 8.153580 49.68376       23.46548 42.48195       33.11634 56.94578       33.25451 24.45024 9.554912 27.49095 9.801004 -3.040714      13.68781 
1 1 1 -24 28 21 o 18.25187 7.790098 12.91402       24.57849 -57.88000      38.08344 63.45113       32.17682 14.41169 7.144562 29.24582 9.668060 -14.83414      12.02149 
1 1 1 -24 28 22 f 20.63527 8.526984 23.36029       27.99926 30.06000       58.97931 21.41110       31.81259 23.52282 10.87830 20.66418 8.842280 2.858641       14.01868 
1 1 1 -24 28 23 o 19.15232 8.667139 8.634222       34.84619 42.28000       56.89764 -11.56000      44.08010 24.32720 11.03529 18.56227 8.835809 5.764927       14.13680 
1 1 1 -24 28 24 o 21.24199 8.600456 27.17497       27.77056 9.674000       58.42585 32.28280       31.56403 21.71611 10.28934 22.37840 9.128778 -0.6622887     13.75518 
1 1 1 -24 28 25 o 31.43177 8.950315 69.55659       28.85864 102.1000       58.55791 59.11721       33.16589 30.96637 12.50638 27.74583 9.798181 3.220539       15.88754 
1 1 1 -24 28 26 o 32.93199 8.049870 71.21893       25.72655 56.29787       31.29842 102.3000       45.17213 27.37694 9.529540 34.07290 11.45969 -6.695957      14.90425 
1 1 1 -24 28 27 o 14.30835 6.581606 -5.471386      21.17879 -2.313036      29.59501 -8.786553      30.32084 16.82542 7.754169 16.24686 7.608800 0.5785580      10.86375 
1 1 1 -24 28 28 o 37.06866 7.041692 84.33273       24.61601 47.50000       38.72575 109.3051       31.88694 24.81914 10.11638 40.79319 8.269252 -15.97405      13.06605 
1 1 1 -24 28 29 o 14.59704 6.627490 -1.971133      20.57903 4.863797       29.61739 -8.351146      28.61479 17.63503 7.984499 15.82866 7.406047 1.806372       10.89044 
1 1 1 -24 28 30 o 14.86129 6.683863 0.1905801      20.35613 0.5332202      28.56930 -0.1627521     29.01163 16.84747 7.710353 16.84854 7.732788 -0.1068115E-02 10.91996 
1 1 1 -24 28 31 o 27.76336 7.506204 50.14127       20.88311 78.25514       30.33916 24.82833       28.78820 32.93956 9.105666 20.57720 8.586650 12.36236       12.51574 
1 1 1 -24 28 32 o 13.96072 6.362443 -2.796971      19.19005 4.793015       27.19979 -10.31929      27.07827 17.01930 7.683849 15.12028 7.115597 1.899021       10.47250 
1 1 1 -24 28 33 f 17.90672 7.212183 17.23109       19.41550 29.86512       27.72472 5.072392       27.19819 21.17519 8.586094 16.96486 7.669137 4.210339       11.51246 
1 1 1 -24 28 34 f 17.24528 7.111180 14.84966       19.41829 25.79502       26.99282 3.109499       27.95571 20.18967 8.360345 16.72038 7.642704 3.469284       11.32724 
1 1 1 -24 28 35 o 23.67172 7.710986 39.03690       20.49962 25.26070       28.47654 53.85530       29.53406 19.97221 8.449156 25.81925 9.232978 -5.847046      12.51544 
1 1 1 -24 28 36 o 14.56289 6.922006 -11.79178      26.85595 -11.79178      26.85595 0.000000       0.000000 14.56289 6.922006 ?        ?        ?              ?        
1 1 1 -24 29 1  o 29.18913 7.288270 51.94042       20.75871 -23.31284      32.28439 104.9837       27.10473 15.71039 7.501457 42.43727 6.751076 -26.72689      10.09202 
1 1 1 -24 29 2  o 35.47520 7.860565 78.12700       26.57658 78.01381       33.81086 78.31000       42.99165 33.30739 9.750367 31.41182 11.14961 1.895571       14.81160 
1 1 1 -24 29 3  o 64.46368 4.078135 217.2935       25.60066 142.1354       37.82076 280.8511       34.77971 47.45479 8.452159 72.24959 4.947818 -24.79480      9.793870 
1 1 1 -24 29 4  o 39.68889 5.766873 88.19524       21.74837 30.21193       32.71877 134.0939       29.11020 22.74780 9.288659 48.51037 6.277679 -25.76257      11.21109 
1 1 1 -24 29 5  o 27.84173 7.532616 48.09971       21.02161 2.697909       32.26840 81.57549       27.70807 18.47490 8.352442 36.04046 8.057004 -17.56557      11.60511 
1 1 1 -24 29 6  o 36.17004 6.612301 76.35995       22.54795 33.44154       33.96842 110.1664       30.14763 23.34809 9.490339 42.66713 7.491793 -19.31905      12.09105 
1 1 1 -24 29 7  o 26.24233 7.943207 43.94696       22.14678 35.15399       32.86242 51.26346       29.97667 23.56454 9.420007 27.17544 9.332500 -3.610891      13.26017 
1 1 1 -24 29 8  o 18.65953 7.771482 14.78580       23.51557 -27.53060      30.57777 76.04000       36.78912 14.82099 7.135253 31.82921 10.32712 -17.00822      12.55234 
1 1 1 -24 29 9  o 34.01035 7.781722 72.41686       25.34300 37.02325       32.53823 127.0000       40.40738 23.81197 9.420610 42.64714 9.874606 -18.83517      13.64755 
1 1 1 -24 29 10 o 21.05885 7.801102 26.37135       21.34752 -9.638442      31.81387 55.86467       28.79175 16.80023 7.843726 28.35788 9.130499 -11.55766      12.03703 
1 1 1 -24 29 11 o 33.97331 7.369443 70.96297       23.79993 57.58000       38.57860 79.18604       30.24036 27.38040 10.41365 34.20549 8.935602 -6.825089      13.72185 
1 1 1 -24 29 12 o 15.20659 6.886715 -2.172504      22.04966 -10.07000      35.23309 2.911910       28.27005 17.38645 8.161472 17.46533 7.863994 -0.7888794E-01 11.33367 
1 1 1 -24 29 13 o 31.78823 7.377880 62.83529       22.51301 38.07315       33.06273 84.24100       30.74039 23.72949 9.461097 35.20574 8.913311 -11.47626      12.99844 
1 1 1 -24 29 14 o 12.61556 6.035294 -19.61574      21.11284 -28.43555      30.04133 -11.00792      29.67812 14.47269 6.993546 16.03993 7.516980 -1.567246      10.26717 
1 1 1 -24 29 15 o 18.95450 7.629520 18.40696       21.71311 0.7111171      30.49529 36.60281       30.92313 17.55741 8.008869 23.38651 9.205020 -5.829102      12.20141 
1 1 1 -24 29 16 o 31.38674 8.358678 65.70798       26.13631 48.57846       31.97426 100.2000       45.37192 25.76766 9.546992 34.02455 11.48512 -8.256895      14.93496 
1 1 1 -24 29 17 o 21.86511 8.450546 30.21799       25.68163 5.430590       31.80272 76.68000       43.54093 18.31857 8.285876 29.78046 11.12012 -11.46189      13.86769 
1 1 1 -24 29 18 o 14.32007 6.759569 -14.35386      24.77461 -20.30818      30.39910 -2.577000      42.75233 15.21649 7.269329 19.18583 9.001097 -3.969347      11.56991 
1 1 1 -24 29 19 o 26.48175 8.852015 49.02820       26.95719 40.25451       33.64473 64.76000       45.05212 23.98802 9.550652 27.58875 11.02928 -3.600723      14.58972 
1 1 1 -24 29 20 o 16.03029 7.152420 2.511865       22.81211 2.616870       31.60950 2.397732       32.95495 17.90798 8.163043 18.12077 8.288542 -0.2127914     11.63337 
1 1 1 -24 29 21 f 16.62812 7.204100 7.840537       21.62629 -9.141392      29.64248 27.16603       31.62178 16.08607 7.530172 21.41863 8.972909 -5.332567      11.71395 
1 1 1 -24 29 22 o 20.94178 7.954004 27.06010       22.48790 27.63679       31.40297 26.45308       32.21808 21.49355 8.968513 21.34425 9.006195 0.1492996      12.71007 
1 1 1 -24 29 23 o 26.81828 9.668613 54.88212       32.46043 0.000000       0.000000 54.88212       32.46043 ?        ?        26.81828 9.668613 ?              ?        
1 1 1 -24 29 24 o 16.97082 8.007454 -10.40649      34.69945 -13.71000      56.07869 -8.357000      44.17064 19.79264 9.562037 18.70759 8.887809 1.085049       13.05472 
1 1 1 -24 29 25 o 22.12243 9.443526 30.74989       36.12893 -1.167000      57.98817 51.00000       46.18945 20.73711 9.942379 25.04499 10.68401 -4.307882      14.59448 
1 1 1 -24 29 26 o 40.88320 7.460060 104.8389       28.75372 57.56000       57.76975 120.4087       33.15191 25.47149 11.37232 42.92400 8.189173 -17.45251      14.01400 
1 1 1 -24 29 27 o 17.37095 7.462776 11.20306       22.82847 -17.87000      34.56258 33.70137       30.40435 16.16862 7.731531 22.32433 9.013274 -6.155703      11.87500 
1 1 1 -24 29 28 o 20.35641 7.775211 25.68489       21.56438 0.2881634      31.01732 49.44508       30.00132 17.26005 7.948634 25.61983 9.287183 -8.359781      12.22426 
1 1 1 -24 29 29 o 21.05376 7.763023 28.37667       21.09663 21.18439       30.14112 35.28415       29.53829 20.03204 8.590044 22.56967 8.960905 -2.537632      12.41317 
1 1 1 -24 29 30 o 29.61396 7.481366 57.16339       21.69003 78.20901       31.23052 37.55299       30.14684 32.31887 9.345111 22.84625 9.058512 9.472624       13.01490 
1 1 1 -24 29 31 o 12.35967 5.880288 -14.81717      19.47228 -22.74771      28.29710 -7.684025      26.83681 14.14527 6.823495 15.29588 7.161782 -1.150610      9.891977 
1 1 1 -24 29 32 o 11.41137 5.532403 -22.13510      19.19502 15.74195       27.26050 -59.38163      27.03265 18.47051 8.044440 11.21808 5.630607 7.252429       9.819203 
1 1 1 -24 29 33 o 12.42341 5.892520 -12.80749      19.25881 -34.43573      27.33242 8.518435       27.14073 12.80771 6.292717 17.20968 7.730741 -4.401972      9.968081 
1 1 1 -24 29 34 o 13.31988 6.201272 -6.743236      19.66168 -16.78133      27.60207 3.596799       28.01412 14.31625 6.862737 16.64121 7.623121 -2.324952      10.25715 
1 1 1 -24 30 1  o 36.27213 6.273022 76.34953       21.46619 10.46423       32.42080 127.7797       28.64431 19.28188 8.569658 46.92905 6.402566 -27.64717      10.69728 
1 1 1 -24 30 2  o 33.15910 6.845539 65.94193       21.48200 37.46904       32.69147 87.57954       28.49858 23.71736 9.423670 37.03310 8.088852 -13.31574      12.41914 
1 1 1 -24 30 3  o 15.52810 7.132948 -5.241971      24.75870 -2.423869      30.76703 -10.42000      41.70512 17.31245 7.952186 18.53809 8.756543 -1.225641      11.82854 
1 1 1 -24 30 4  o 38.83450 6.035015 86.46912       22.19588 44.44637       34.03115 117.5796       29.28111 25.01072 9.710909 44.34954 6.975219 -19.33883      11.95640 
1 1 1 -24 30 5  o 29.72143 7.401988 55.20134       21.45202 30.77575       32.82597 73.40867       28.34120 22.42837 9.246865 33.07580 8.655349 -10.64743      12.66569 
1 1 1 -24 30 6  o 15.95299 7.141300 1.265724       22.93994 -27.81031      31.64666 33.46000       33.30042 14.93875 7.208694 22.88309 9.360568 -7.944344      11.81463 
1 1 1 -24 30 7  o 13.62366 6.486441 -18.37167      23.78252 -23.19347      31.05209 -11.53000      36.98853 15.17364 7.275133 17.52335 8.267916 -2.349712      11.01299 
1 1 1 -24 30 8  f 23.17443 7.974624 34.66982       21.89146 13.39098       32.22719 52.90075       29.82998 19.54421 8.621960 27.11960 9.309765 -7.575384      12.68897 
1 1 1 -24 30 9  o 19.01066 7.665136 18.51891       21.95682 -12.19778      32.82555 43.38995       29.53736 16.60659 7.821048 24.88560 9.183944 -8.279013      12.06290 
1 1 1 -24 30 10 o 19.85361 7.895395 21.76229       22.96723 25.75000       37.28362 19.32368       29.15602 21.82163 9.456599 20.05538 8.519588 1.766247       12.72834 
1 1 1 -24 30 11 o 22.69328 8.264450 33.44485       23.79503 54.08000       37.91126 20.03167       30.56542 26.37923 10.24754 20.28867 8.674059 6.090557       13.42577 
1 1 1 -24 30 12 o 19.58656 7.710014 21.42107       21.69588 21.28945       31.30631 21.54270       30.09475 20.52873 8.777673 20.44932 8.670006 0.7941628E-01  12.33761 
1 1 1 -24 30 13 o 17.45557 7.358311 12.05867       21.47347 -9.984137      30.34941 34.15578       30.38677 16.19706 7.594104 22.73053 9.067712 -6.533470      11.82767 
1 1 1 -24 30 14 o 15.76396 7.009588 2.584050       21.71806 -29.67100      30.72991 34.77230       30.69807 14.46845 7.011093 22.86449 9.116401 -8.396042      11.50062 
1 1 1 -24 30 15 f 28.98312 8.722138 58.22938       26.75865 28.59299       32.45845 121.1000       47.27581 21.80917 9.110423 37.55810 11.65056 -15.74893      14.78970 
1 1 1 -24 30 16 o 18.99693 8.187409 14.74455       27.64497 -81.54000      58.19867 42.79998       31.41544 16.90910 8.454092 24.50461 9.378419 -7.595514      12.62642 
1 1 1 -24 30 17 o 25.25771 8.681109 44.27061       25.93966 54.13295       32.07890 25.64000       44.09030 26.85566 9.620344 22.09137 9.893921 4.764288       13.80003 
1 1 1 -24 30 18 o 15.60566 7.161056 -3.466544      24.86482 1.102030       30.50561 -12.51000      42.91968 17.42871 7.972965 18.22200 8.686421 -0.7932949     11.79076 
1 1 1 -24 30 19 o 37.28901 7.765265 88.89952       27.42076 77.12061       33.25887 113.9000       48.45396 31.99537 9.744301 35.28751 11.86867 -3.292137      15.35633 
1 1 1 -24 30 20 o 28.48140 8.618715 56.53905       26.07613 39.15508       31.80597 92.18000       45.54163 23.54181 9.313917 31.85505 11.45638 -8.313238      14.76475 
1 1 1 -24 30 21 o 20.79731 8.222589 26.49700       24.77386 24.38564       29.89048 31.13000       44.27746 20.70580 8.702203 22.50659 10.00813 -1.800789      13.26239 
1 1 1 -24 30 22 o 21.19581 7.919649 28.45680       22.09177 15.74268       30.13973 43.21824       32.47585 19.31888 8.435482 24.25882 9.467281 -4.939936      12.68017 
1 1 1 -24 30 23 o 22.32574 8.608906 33.33105       26.60907 28.30607       32.06288 44.45000       47.69435 21.48062 9.019436 24.10379 10.56595 -2.623167      13.89207 
1 1 1 -24 30 24 o 14.72891 6.966322 -13.92999      26.55633 -16.14000      53.67735 -13.21373      30.55820 19.26568 9.319022 15.77478 7.464506 3.490893       11.93998 
1 1 1 -24 30 25 o 16.10893 7.572100 -9.210136      30.50838 0.000000       0.000000 -9.210136      30.50838 ?        ?        16.10893 7.572100 ?              ?        
1 1 1 -24 30 26 o 14.64366 7.067195 -24.35086      30.43990 0.000000       0.000000 -24.35086      30.43990 ?        ?        14.64366 7.067195 ?              ?        
1 1 1 -24 30 27 o 19.63284 8.007058 22.05029       24.27725 -7.658626      28.94947 92.46000       44.56701 15.90170 7.443142 31.53255 11.33404 -15.63085      13.55953 
1 1 1 -24 30 28 o 14.68418 6.645780 -0.6047509     20.49370 -18.57372      29.11676 17.03648       28.85001 14.77732 7.074343 19.09055 8.295499 -4.313231      10.90237 
1 1 1 -24 30 29 o 14.26424 6.514828 -2.521325      20.26058 0.7978956      28.67184 -5.831736      28.63377 16.67828 7.666671 15.89093 7.426476 0.7873459      10.67382 
1 1 1 -24 30 30 o 18.04069 7.361950 17.63231       20.53726 3.744624       28.85477 31.89051       29.23715 16.98455 7.763897 21.43273 8.769523 -4.448183      11.71250 
1 1 1 -24 30 31 o 14.31926 6.481477 -0.1304443E-02 19.50055 -24.63634      27.70332 24.19275       27.45424 13.68256 6.636536 19.78799 8.329638 -6.105433      10.65019 
1 1 1 -24 30 32 o 18.56841 7.390862 20.96333       20.14309 31.14463       28.61182 10.95830       28.36306 20.93337 8.631962 17.62240 7.910591 3.310970       11.70847 
1 1 1 -24 30 33 o 15.13821 7.165575 -8.524891      28.20236 -8.524891      28.20236 0.000000       0.000000 15.13821 7.165575 ?        ?        ?              ?        
1 1 1 -24 31 1  o 24.40128 7.786366 38.76987       20.97303 12.35000       60.61637 42.36280       22.35368 22.13700 10.48631 25.28711 8.035119 -3.150116      13.21082 
1 1 1 -24 31 2  o 23.83994 7.694624 36.74146       20.43994 39.05000       60.04425 36.43888       21.73824 24.17229 11.10534 23.60062 7.949739 0.5716686      13.65748 
1 1 1 -24 31 3  o 28.55856 7.573360 52.20886       21.51314 0.4769888      32.76040 91.43098       28.52565 17.86676 8.206415 37.72468 7.974915 -19.85792      11.44310 
1 1 1 -24 31 4  f 18.46649 7.726374 15.40768       23.40118 -23.49583      31.53276 63.10000       34.91337 15.18505 7.293842 28.47122 10.05312 -13.28617      12.42036 
1 1 1 -24 31 5  o 29.39125 8.291865 58.01809       24.88536 23.70968       33.30221 101.4000       37.44787 21.05218 9.028410 36.77739 10.09671 -15.72521      13.54458 
1 1 1 -24 31 6  o 29.52164 7.726830 56.32109       22.58370 26.32191       34.22641 79.45345       30.05500 21.51111 9.187293 33.83044 8.942222 -12.31932      12.82067 
1 1 1 -24 31 7  o 18.32714 7.579568 15.81497       22.14830 -41.85168      33.26689 61.72709       29.68339 14.18473 6.963852 29.14072 9.259175 -14.95599      11.58566 
1 1 1 -24 31 8  o 31.79313 7.879138 65.65802       24.39472 23.51000       38.90469 92.96683       31.31588 21.43226 9.463240 36.95196 8.787167 -15.51970      12.91384 
1 1 1 -24 31 9  o 19.82667 7.990756 21.82916       23.85083 10.86000       38.93406 28.41834       30.17579 19.92762 9.074346 21.59410 8.880467 -1.666479      12.69671 
1 1 1 -24 31 10 o 17.64900 7.448659 12.59292       22.04608 -4.934008      31.93781 28.54554       30.46970 17.05885 7.928979 21.63321 8.912885 -4.574358      11.92930 
1 1 1 -24 31 11 f 29.84696 7.786250 57.73136       22.98219 24.38231       32.54033 90.92265       32.46326 21.08373 8.980009 36.01797 9.181792 -14.93424      12.84313 
1 1 1 -24 31 12 o 26.75944 8.036334 47.58210       22.73339 25.65941       32.58332 68.37582       31.73325 21.29016 9.023706 30.37683 9.563666 -9.086662      13.14880 
1 1 1 -24 31 13 o 23.35999 8.602269 36.87967       25.89057 37.90892       31.83750 34.87000       44.48777 23.42179 9.301863 23.17744 10.18086 0.2443542      13.79038 
1 1 1 -24 31 14 o 17.52259 7.818320 6.477803       27.25809 19.51000       57.26228 2.659546       30.99505 22.20440 10.41724 17.70019 8.074088 4.504206       13.17990 
1 1 1 -24 31 15 o 30.23534 7.830408 59.87074       23.35653 54.15142       32.73351 65.80289       33.33701 26.55557 9.689817 29.11271 9.844715 -2.557142      13.81343 
1 1 1 -24 31 16 o 14.05261 6.561362 -9.674495      22.26799 -42.60246      30.70777 26.84446       32.33888 13.43590 6.614837 21.31517 9.009965 -7.879270      11.17746 
1 1 1 -24 31 17 o 46.42421 5.542043 122.0845       24.68695 83.86780       34.96767 160.0615       34.85783 32.99970 9.979384 51.02917 7.176747 -18.02946      12.29202 
1 1 1 -24 31 18 o 35.63355 7.849798 82.38024       26.63873 64.80157       32.46576 118.6000       46.60208 28.96759 9.714915 36.56835 11.59951 -7.600765      15.13037 
1 1 1 -24 31 19 o 18.60293 7.877821 15.94441       24.79702 9.965889       30.30785 28.05000       43.12720 18.45879 8.239527 22.01897 9.828742 -3.560183      12.82552 
1 1 1 -24 31 20 o 20.52360 8.211714 25.47491       24.99537 25.96895       30.33423 24.43000       44.11533 20.94085 8.781578 21.64087 9.776598 -0.7000275     13.14146 
1 1 1 -24 31 21 o 15.77976 7.459862 -12.56224      30.38591 -12.56224      30.38591 0.000000       0.000000 15.77976 7.459862 ?        ?        ?              ?        
1 1 1 -24 31 22 o 13.97566 6.680075 -18.78748      25.74277 -21.60969      29.22716 -9.023000      54.36462 14.62720 7.024910 19.70868 9.494829 -5.081480      11.81106 
1 1 1 -24 31 23 o 14.93572 6.785484 -1.204370      21.61330 -16.23104      29.55781 16.06248       31.68454 15.15006 7.218259 19.34902 8.541891 -4.198968      11.18334 
1 1 1 -24 31 24 o 14.90046 7.154334 -20.57854      30.27048 0.000000       0.000000 -20.57854      30.27048 ?        ?        14.90046 7.154334 ?              ?        
1 1 1 -24 31 25 o 14.18294 6.780153 -18.25829      26.54089 -61.52000      54.47901 -4.795174      30.39136 16.80677 8.367552 16.48760 7.687347 0.3191643      11.36271 
1 1 1 -24 31 26 o 17.01405 7.636035 6.064659       26.41436 7.074000       54.53177 5.755240       30.19284 20.47491 9.768947 17.62644 8.012634 2.848469       12.63466 
1 1 1 -24 31 27 o 13.29509 6.301885 -13.49020      21.95876 -30.93000      33.12089 0.1876646      29.33192 14.59629 7.119499 16.69648 7.703666 -2.100192      10.48970 
1 1 1 -24 31 28 f 19.20832 7.498408 22.67200       20.37740 12.03650       27.79698 35.02749       29.96046 17.93330 7.954628 21.98011 8.920775 -4.046818      11.95225 
1 1 1 -24 31 29 o 14.96251 6.837800 -0.5379171     22.36237 19.63674       27.16528 -42.95000      39.38728 18.94981 8.140952 14.93069 7.377226 4.019127       10.98629 
1 1 1 -24 31 30 o 16.64349 7.066309 12.55140       20.03860 -2.913165      27.34429 30.49003       29.45048 15.64669 7.294116 20.76983 8.677270 -5.123137      11.33575 
1 1 1 -24 31 31 o 17.54914 7.195051 17.09811       19.73132 28.00464       28.30813 6.792457       27.51728 20.23704 8.484625 16.84414 7.654021 3.392900       11.42685 
1 1 1 -24 32 1  o 28.70508 7.642672 53.16529       21.85372 97.37000       60.82328 46.61277       23.41747 30.06300 12.50794 26.29223 8.206650 3.770773       14.95986 
1 1 1 -24 32 2  o 17.51145 7.581949 10.05266       23.92344 -38.43000      58.64689 19.73068       26.20264 18.81224 9.237814 19.63333 8.192321 -0.8210869     12.34712 
1 1 1 -24 32 3  o 20.19193 8.139142 23.22301       24.74877 0.9955000      59.41954 27.88837       27.22242 21.15626 10.12217 21.32642 8.557161 -0.1701565     13.25456 
1 1 1 -24 32 4  f 30.13332 8.372737 61.40886       25.57920 88.47000       61.58334 55.76680       28.11959 28.88173 12.32911 27.89737 9.026873 0.9843578      15.28043 
1 1 1 -24 32 5  o 16.43628 7.120950 7.380399       21.12974 25.41000       60.34480 4.860985       22.55779 22.92654 10.73610 16.31839 7.205537 6.608158       12.92995 
1 1 1 -24 32 6  o 32.22893 7.359671 65.27845       22.70580 118.8000       69.62157 58.90826       24.01905 31.25698 13.21658 29.83749 8.042839 1.419491       15.47144 
1 1 1 -24 32 7  o 16.21596 7.477994 -3.884076      27.58612 -30.45000      35.85194 34.67000       43.19021 15.55957 7.547606 23.03534 10.07722 -7.475774      12.59034 
1 1 1 -24 32 8  o 50.07805 5.120622 139.0140       24.74718 112.1139       36.07814 162.9171       34.00904 39.69704 9.426240 51.99409 6.848807 -12.29705      11.65162 
1 1 1 -24 32 9  o 18.15741 7.501697 15.77434       21.66540 10.22137       31.73525 20.62153       29.64994 18.75419 8.397046 20.04792 8.556384 -1.293736      11.98841 
1 1 1 -24 32 10 o 26.25301 8.082226 46.58394       22.80200 0.7836813      33.20115 87.47264       31.37046 17.80491 8.208255 35.20424 9.053221 -17.39932      12.22032 
1 1 1 -24 32 11 o 15.30676 7.106544 -6.690926      25.54405 -26.35308      31.84635 28.78000       42.77405 14.90108 7.200562 22.11129 9.834291 -7.210214      12.18858 
1 1 1 -24 32 12 o 14.91092 7.037631 -13.04114      26.84005 -60.97000      56.10867 1.180575       30.56380 17.26375 8.577873 17.37891 7.961585 -0.1151562     11.70328 
1 1 1 -24 32 13 o 21.44334 7.957513 29.53774       22.22997 5.268630       31.63771 53.20338       31.24188 18.05750 8.206049 26.46752 9.492493 -8.410025      12.54778 
1 1 1 -24 32 14 o 13.75715 6.445998 -10.56256      21.80698 -3.192328      31.57075 -17.28760      30.15725 17.01653 7.900406 15.26807 7.279122 1.748458       10.74253 
1 1 1 -24 32 15 o 24.19013 8.212962 40.04981       23.20325 -3.831687      32.26038 87.08038       33.39788 17.06790 7.945262 34.18805 9.592158 -17.12015      12.45539 
1 1 1 -24 32 16 o 22.56068 8.146791 34.07081       23.05750 10.15593       32.39068 58.63914       32.83022 18.74909 8.431906 27.36500 9.740181 -8.615911      12.88286 
1 1 1 -24 32 17 o 17.92150 7.545120 14.40070       22.53183 -32.38816      30.81744 68.13881       33.02681 14.13109 6.887039 29.50831 9.796371 -15.37722      11.97498 
1 1 1 -24 32 18 o 20.95219 7.979313 27.90765       22.66884 8.469593       31.68967 48.27796       32.44069 18.39792 8.301188 25.10937 9.549495 -6.711451      12.65316 
1 1 1 -24 32 19 o 23.30733 8.189280 37.06034       23.14655 63.43776       31.44907 5.883156       34.19087 28.69823 9.560430 18.43438 8.435964 10.26385       12.75019 
1 1 1 -24 32 20 o 17.65397 8.075399 3.775236       31.28663 3.775236       31.28663 0.000000       0.000000 17.65397 8.075399 ?        ?        ?              ?        
1 1 1 -24 32 21 o 17.79822 7.749464 12.01046       25.28296 -7.545291      30.46630 55.27000       45.31305 16.18069 7.593522 25.08001 10.63619 -8.899315      13.06867 
1 1 1 -24 32 22 o 12.99929 6.278534 -23.25462      24.14065 -21.56662      29.04021 -27.03000      43.43031 14.48331 6.967800 16.91591 8.228855 -2.432605      10.78259 
1 1 1 -24 32 23 o 22.64491 8.351891 35.55136       24.42130 9.002000       35.15168 60.32144       33.95337 18.77721 8.578002 27.17507 9.875787 -8.397861      13.08103 
1 1 1 -24 32 24 o 17.81418 7.354032 16.12298       20.79850 3.278222       27.81322 32.41738       31.32619 16.82361 7.664282 21.68011 8.994573 -4.856497      11.81709 
1 1 1 -24 32 25 o 17.11176 7.674464 7.386278       26.62910 -65.10000      53.42422 31.34887       30.71688 16.25996 8.125052 21.37033 8.889792 -5.110365      12.04346 
1 1 1 -24 32 26 o 18.47092 7.984878 16.80366       26.45092 11.64000       54.18410 18.41919       30.30756 20.32917 9.709963 19.11910 8.400489 1.210073       12.83945 
1 1 1 -24 32 27 o 23.40826 8.741901 41.92474       26.91041 -17.43000      53.36202 62.16785       31.16328 18.28177 8.942835 27.39012 9.510423 -9.108351      13.05459 
1 1 1 -24 32 28 o 16.66816 7.081642 12.71089       20.14929 20.59836       27.64456 3.771715       29.42996 18.94946 8.177284 16.78167 7.733471 2.167789       11.25498 
1 1 1 -24 32 29 o 27.09754 8.086596 53.17775       23.07377 44.69000       35.02158 59.68804       30.67182 22.93184 9.511783 26.60748 9.420136 -3.675646      13.38704 
1 1 1 -24 33 1  o 20.96336 8.848326 25.74164       31.11470 45.63000       59.42557 18.23000       36.52090 24.21268 11.09571 20.31969 9.059134 3.892984       14.32420 
1 1 1 -24 33 2  o 32.02176 9.674696 77.64954       32.87576 66.17000       61.36860 82.27000       38.93377 26.06267 11.67258 31.30678 10.63858 -5.244114      15.79331 
1 1 1 -24 33 3  o 18.96662 7.754173 19.05010       22.83581 -10.77000      60.46121 24.01181       24.66254 20.26075 9.821790 20.19510 8.130392 0.6565475E-01  12.75033 
1 1 1 -24 33 4  o 20.13889 7.888757 24.33263       22.61830 -90.85000      61.82941 42.12811       24.30281 16.84399 8.462741 24.65451 8.404746 -7.810520      11.92719 
1 1 1 -24 33 5  o 27.14914 8.450111 51.31309       24.84644 0.000000       0.000000 51.31309       24.84644 ?        ?        27.14914 8.450111 ?              ?        
1 1 1 -24 33 6  o 21.12438 8.184226 28.30952       24.13219 0.000000       0.000000 28.30952       24.13219 ?        ?        21.12438 8.184226 ?              ?        
1 1 1 -24 33 7  o 27.80864 8.031710 52.15267       23.08118 20.11000       60.03676 57.71005       25.00275 22.14834 10.47515 28.94166 8.359482 -6.793325      13.40186 
1 1 1 -24 33 8  o 33.82947 7.385126 72.63364       23.76687 16.60000       59.85784 83.12083       25.89562 21.85501 10.37250 36.04344 7.580695 -14.18843      12.84740 
1 1 1 -24 33 9  o 24.84623 8.918591 44.83442       27.58485 -23.69000      58.51536 64.41363       31.27842 19.25411 9.406957 29.00713 9.529505 -9.753016      13.39038 
1 1 1 -24 33 10 o 21.69450 7.989496 30.83382       22.33400 -54.73000      58.33882 45.52765       24.17576 17.72137 8.795258 25.53901 8.377296 -7.817638      12.14643 
1 1 1 -24 33 11 o 33.03624 7.497980 69.98951       23.68896 109.3000       59.48676 62.58072       25.82497 30.99418 12.57343 30.06128 8.435029 0.9329033      15.14070 
1 1 1 -24 33 12 o 14.52761 6.908244 -16.02379      26.80755 -26.64000      56.87029 -12.99099      30.39647 18.90644 9.244942 15.70058 7.433937 3.205862       11.86307 
1 1 1 -24 33 13 f 22.64124 7.996376 34.36257       22.09002 -0.5853474     30.58031 72.49767       31.94433 17.06164 7.869910 30.80932 9.580094 -13.74769      12.39813 
1 1 1 -24 33 14 o 16.97077 7.281271 10.48840       21.67806 -39.57918      30.17523 63.88910       31.16347 13.41904 6.596821 28.83706 9.513831 -15.41802      11.57718 
1 1 1 -24 33 15 o 17.14001 7.384243 10.62463       22.47038 -11.86934      31.05441 35.34416       32.55445 15.92887 7.533678 22.52559 9.239360 -6.596723      11.92150 
1 1 1 -24 33 16 o 32.83659 7.551068 69.69777       23.76303 52.86971       33.20294 87.36850       34.02410 25.85402 9.699036 33.78690 9.749450 -7.932878      13.75220 
1 1 1 -24 33 17 o 19.24395 7.817142 21.10142       23.02944 23.92391       31.98720 18.06400       33.18279 20.46261 8.812923 19.70485 8.718273 0.7577553      12.39661 
1 1 1 -24 33 18 o 14.09789 6.704896 -15.33034      25.27139 0.7269532      30.09832 -53.70000      46.52647 17.00074 7.829499 15.88373 7.878256 1.117016       11.10711 
1 1 1 -24 33 19 o 14.80379 6.939229 -8.958278      25.31547 1.669278       29.86477 -36.09000      47.71788 17.05529 7.834305 16.98197 8.337775 0.7332230E-01  11.44093 
1 1 1 -24 33 20 o 15.28487 6.888956 1.255887       21.75510 -19.42281      29.16451 27.19631       32.66492 14.68400 7.043057 20.95838 8.963863 -6.274379      11.39980 
1 1 1 -24 33 21 f 22.88660 8.835340 38.14091       28.05052 27.96000       35.92598 54.04000       44.89536 21.12753 9.217738 24.65302 10.52551 -3.525490      13.99118 
1 1 1 -24 33 22 o 14.34321 6.745895 -9.791701      24.27371 -27.14049      29.12365 29.68000       43.92928 13.91218 6.761008 21.50356 9.731257 -7.591384      11.84941 
1 1 1 -24 33 23 o 25.19850 8.598050 47.26896       25.43457 44.89247       31.17494 52.00000       43.98609 23.80945 9.280363 24.06045 10.34816 -0.2509995     13.89998 
1 1 1 -24 33 24 f 18.30084 7.497197 18.98874       21.40149 20.02789       29.07711 17.76034       31.61439 19.17121 8.329337 19.05731 8.466559 0.1138954      11.87689 
1 1 1 -24 33 25 o 13.28931 6.449970 -24.09766      26.27892 -7.266000      51.82450 -29.92347      30.48946 18.61998 9.041985 13.85924 6.775285 4.760740       11.29876 
1 1 1 -24 33 26 o 21.71850 8.570543 35.69926       26.86865 -37.43000      53.07644 60.89693       31.15562 16.97547 8.418854 26.67773 9.489252 -9.702253      12.68554 
1 1 1 -24 33 27 o 21.14526 8.478292 33.07677       26.70257 12.45000       52.89112 40.13259       30.93434 19.72353 9.466654 22.30075 9.059557 -2.577219      13.10317 
1 1 1 -24 34 1  o 42.20056 6.218855 105.1662       24.91908 24.34000       62.30438 120.5578       27.18839 22.39920 10.61663 45.06640 6.338366 -22.66720      12.36478 
1 1 1 -24 34 2  o 29.55703 8.679590 62.03226       26.75650 4.415000       59.42795 76.68145       29.96548 20.91347 10.03696 32.55380 9.068556 -11.64033      13.52698 
1 1 1 -24 34 3  o 41.34721 8.380739 114.6159       32.75557 0.000000       0.000000 114.6159       32.75557 ?        ?        41.34721 8.380739 ?              ?        
1 1 1 -24 34 4  o 20.23817 8.092235 24.84339       24.25718 0.000000       0.000000 24.84339       24.25718 ?        ?        20.23817 8.092235 ?              ?        
1 1 1 -24 34 5  o 15.51872 6.961205 1.972771       21.91974 -14.20000      58.67488 4.595969       23.63064 19.71209 9.583507 16.33383 7.284276 3.378263       12.03762 
1 1 1 -24 34 6  o 25.11357 8.081052 43.27695       22.55584 7.424000       58.34277 49.57748       24.45757 20.98927 10.03897 26.56335 8.400363 -5.574080      13.08996 
1 1 1 -24 34 7  o 19.13586 8.198008 17.85609       27.40490 -11.32000      58.13880 26.19056       31.07359 19.80174 9.606793 20.86132 8.825697 -1.059586      13.04544 
1 1 1 -24 34 8  o 15.27783 6.907441 0.2733496      22.07273 24.14000       56.51100 -4.023296      23.97740 22.05294 10.34697 15.14940 6.980960 6.903547       12.48173 
1 1 1 -24 34 9  o 32.70707 7.441265 68.70702       23.28435 69.22000       58.47202 68.61034       25.38377 26.10643 11.56072 31.88424 8.114369 -5.777813      14.12421 
1 1 1 -24 34 10 o 26.33270 8.080354 47.60330       22.81439 43.12000       58.26213 48.41526       24.79439 23.62840 10.88592 26.12701 8.478136 -2.498610      13.79790 
1 1 1 -24 34 11 o 23.37000 8.162651 37.59407       22.97450 -40.02000      55.06723 53.95089       25.27974 17.87769 8.812503 27.56906 8.514020 -9.691364      12.25352 
1 1 1 -24 34 12 o 17.75752 7.513352 14.20238       22.52342 -4.423000      55.35266 17.89819       24.65700 19.85339 9.568615 18.75777 7.894816 1.095619       12.40510 
1 1 1 -24 34 13 o 16.01383 7.125391 4.758410       22.47925 -13.06000      55.35368 8.277344       24.59901 19.25013 9.347246 17.01446 7.518171 2.235668       11.99558 
1 1 1 -24 34 14 o 18.11215 7.566978 16.36009       22.39621 -68.80000      55.32660 33.04946       24.49265 16.50229 8.249516 21.94691 8.308988 -5.444624      11.70871 
1 1 1 -24 34 15 f 17.81209 7.552642 14.60440       22.84143 -8.750000      56.88976 19.09280       24.93993 19.59264 9.504810 18.93377 7.952684 0.6588745      12.39301 
1 1 1 -24 34 16 o 16.75278 7.354716 8.475333       23.18775 36.29000       55.22775 2.522871       25.54870 22.68063 10.50207 16.30332 7.395189 6.377304       12.84454 
1 1 1 -24 34 17 o 19.10447 8.075576 19.49459       25.97960 42.47000       55.33548 12.99835       29.42410 23.20819 10.66189 18.44936 8.183804 4.758829       13.44063 
1 1 1 -24 34 18 o 22.12348 8.086933 33.83193       22.81466 28.49000       54.79532 34.95220       25.09313 21.85283 10.23241 22.25267 8.413507 -0.3998413     13.24724 
1 1 1 -24 34 19 o 26.68175 9.829482 60.25076       33.81040 0.000000       0.000000 60.25076       33.81040 ?        ?        26.68175 9.829482 ?              ?        
1 1 1 -24 34 20 o 15.89942 7.561889 -11.13053      32.14857 0.000000       0.000000 -11.13053      32.14857 ?        ?        15.89942 7.561889 ?              ?        
1 1 1 -24 34 21 o 13.03475 6.493576 -52.90562      33.01915 -40.21000      52.99793 -60.96000      42.21316 17.09645 8.467165 14.49896 7.241615 2.597481       11.14154 
1 1 1 -24 34 22 o 13.18135 6.332186 -17.94661      23.78282 -16.72983      28.52683 -20.72000      43.06784 14.49171 6.954713 16.77323 8.167329 -2.281520      10.72722 
1 1 1 -24 34 23 o 20.67257 8.049913 30.11643       23.43824 17.81153       27.86238 59.90000       43.34785 18.46668 8.085852 24.46781 10.39085 -6.001125      13.16627 
1 1 1 -24 34 24 o 16.19486 7.178469 8.431806       22.59781 -11.77429      26.95853 56.18000       41.44132 14.49567 6.902847 23.96572 10.16798 -9.470057      12.28971 
1 1 1 -24 34 25 o 22.53150 9.369448 43.96944       34.10340 8.665000       54.20522 67.10000       43.87524 19.34086 9.357645 25.00315 10.52779 -5.662291      14.08545 
1 1 1 -24 35 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -24 35 2  o 15.35200 7.038114 -1.982240      23.94289 0.000000       0.000000 -1.982240      23.94289 ?        ?        15.35200 7.038114 ?              ?        
1 1 1 -24 35 3  o 30.87785 7.958623 64.35041       24.20587 -11.63000      59.45194 79.44863       26.50197 19.71671 9.599541 34.43016 8.014444 -14.71345      12.50530 
1 1 1 -24 35 4  o 57.34013 6.511546 198.1604       35.90033 0.000000       0.000000 198.1604       35.90033 ?        ?        57.34013 6.511546 ?              ?        
1 1 1 -24 35 5  o 32.97624 10.35990 90.53225       37.25643 29.61000       58.09116 133.1000       48.55819 22.24812 10.45498 37.66013 11.82674 -15.41202      15.78539 
1 1 1 -24 35 6  o 24.14948 8.190805 40.99087       23.07770 13.23000       57.34219 46.35637       25.20942 21.00604 10.02102 25.26710 8.560833 -4.261065      13.17986 
1 1 1 -24 35 7  o 31.08636 7.746656 64.41666       23.48583 39.04000       58.54118 69.28449       25.63963 22.92730 10.68296 31.72371 8.198271 -8.796410      13.46615 
1 1 1 -24 35 8  o 14.72750 6.781341 -3.654114      22.56448 -41.13000      56.86028 3.350845       24.58305 17.85303 8.828945 16.20274 7.310989 1.650286       11.46302 
1 1 1 -24 35 9  o 22.84912 8.206596 36.53411       23.36017 -13.49000      57.14757 46.56962       25.59633 19.28815 9.395534 25.20823 8.624756 -5.920088      12.75392 
1 1 1 -24 35 10 f 12.00261 5.848695 -26.97622      22.19906 -9.331000      54.50462 -30.48537      24.30643 19.26706 9.336612 12.35983 6.043800 6.907236       11.12204 
1 1 1 -24 35 11 o 16.39781 7.246662 6.960883       22.86171 61.38000       54.77355 -4.519550      25.15789 24.94647 11.10986 15.24698 7.069763 9.699496       13.16855 
1 1 1 -24 35 12 o 21.60051 8.116861 31.72159       23.27461 2.749000       55.98690 37.77470       25.59070 20.14976 9.688969 22.94970 8.533806 -2.799932      12.91131 
1 1 1 -24 35 13 o 33.87640 7.556395 75.10286       24.41857 -47.98000      56.97586 102.7974       27.02649 17.51185 8.691381 40.42476 7.088561 -22.91290      11.21552 
1 1 1 -24 35 14 o 22.48936 8.169970 35.54025       23.23413 63.83000       55.54202 29.53987       25.57976 24.95819 11.14649 20.95690 8.332940 4.001289       13.91697 
1 1 1 -24 35 15 o 23.02584 8.751621 39.61494       27.23571 9.963000       54.82697 49.32929       31.38154 20.27858 9.707860 24.69249 9.391991 -4.413914      13.50748 
1 1 1 -24 35 16 o 16.56604 7.299687 8.626060       23.03759 -37.12000      53.30356 19.13393       25.54681 17.35859 8.577817 18.75605 7.971516 -1.397455      11.71000 
1 1 1 -24 35 17 o 14.78080 6.832717 -3.310663      23.23372 -50.36000      55.22053 6.809880       25.61095 16.92054 8.424212 16.69587 7.504016 0.2246723      11.28174 
1 1 1 -24 35 18 o 42.48124 7.028069 115.0657       28.20302 0.000000       0.000000 115.0657       28.20302 ?        ?        42.48124 7.028069 ?              ?        
1 1 1 -24 35 19 o 16.10438 7.179004 6.929446       22.92812 -22.43000      54.07084 13.36585       25.31692 17.91041 8.809883 17.52629 7.689917 0.3841209      11.69397 
1 1 1 -24 35 20 o 17.69372 7.519087 16.52399       22.72442 -41.00000      53.05605 29.44754       25.14788 16.79184 8.343037 20.43395 8.215781 -3.642109      11.70920 
1 1 1 -24 35 21 o 14.67700 6.746926 -0.7036433     22.20745 6.767000       51.87391 -2.380056      24.57313 19.14329 9.235525 14.98305 6.961014 4.160236       11.56506 
1 1 1 -24 35 22 o 15.89997 7.259731 3.773544       25.13417 -8.894000      53.22276 7.409462       28.51401 18.29965 8.947236 16.92750 7.730248 1.372152       11.82412 
1 1 1 -24 36 1  o 48.01545 6.269187 138.0623       28.76145 0.000000       0.000000 138.0623       28.76145 ?        ?        48.01545 6.269187 ?              ?        
1 1 1 -24 36 2  o 37.31748 8.427786 96.34630       30.05441 78.67000       58.64897 102.6411       34.99910 26.39754 11.63884 36.64610 9.632369 -10.24856      15.10779 
1 1 1 -24 36 3  o 39.07423 10.26404 122.0189       39.75640 23.10000       57.87569 210.4000       54.70618 21.56600 10.22483 49.74380 11.46996 -28.17780      15.36578 
1 1 1 -24 36 4  o 20.03134 7.943953 25.36239       23.18895 20.56000       54.49596 26.42419       25.62455 21.21940 10.01902 20.34484 8.252627 0.8745613      12.98024 
1 1 1 -24 36 5  o 32.32289 7.768985 69.88082       24.27447 87.93000       57.16371 65.91005       26.81200 27.54780 11.82164 30.16945 8.638884 -2.621653      14.64177 
1 1 1 -24 36 6  o 33.50004 8.802195 81.20023       29.23318 7.114000       57.57197 106.9375       33.93312 20.42960 9.823950 38.17968 9.191051 -17.75007      13.45308 
1 1 1 -24 36 7  o 22.07696 8.760132 35.09568       28.21372 17.38000       56.15015 41.07912       32.63229 20.98185 9.983263 23.05782 9.327530 -2.075964      13.66266 
1 1 1 -24 36 8  o 19.46770 7.890498 23.21251       23.40345 19.40000       55.05941 24.05323       25.85542 20.98622 9.956650 19.77385 8.184694 1.212366       12.88891 
1 1 1 -24 36 9  o 16.17037 7.214992 5.915831       23.21360 30.33000       54.97956 0.6192456      25.60816 21.72358 10.19668 15.88858 7.282113 5.834995       12.53002 
1 1 1 -24 36 10 o 13.94593 6.556332 -9.387982      22.88695 15.93000       54.82974 -14.73015      25.18608 20.58715 9.815022 13.96394 6.655922 6.623212       11.85900 
1 1 1 -24 36 11 o 29.08088 8.163803 60.01090       24.18485 117.6000       57.40451 47.58299       26.66705 30.63383 12.37883 24.89408 8.786380 5.739754       15.18012 
1 1 1 -24 36 12 o 12.35790 5.997028 -23.61468      22.69572 -11.08000      52.73870 -26.46366      25.14300 18.59465 9.050558 12.82036 6.242085 5.774292       10.99437 
1 1 1 -24 36 13 o 19.50495 8.218534 23.50738       26.76845 43.62000       54.53506 17.12353       30.72436 22.49231 10.42223 18.78553 8.346130 3.706785       13.35218 
1 1 1 -24 36 14 o 18.32603 7.962567 17.14630       26.57574 54.73000       54.32324 5.321239       30.47107 23.36650 10.67038 17.16447 7.895059 6.202023       13.27362 
1 1 1 -24 36 15 o 11.57953 5.696039 -31.58850      22.61042 0.8307000      54.19745 -38.41982      24.87885 19.16460 9.292459 11.74953 5.815877 7.415071       10.96240 
1 1 1 -24 36 16 o 19.28638 8.146646 23.60376       26.40796 0.000000       0.000000 23.60376       26.40796 ?        ?        19.28638 8.146646 ?              ?        
1 1 1 -24 36 17 o 13.85216 6.553969 -9.829061      23.54482 -3.816000      58.16664 -11.00735      25.74856 18.94009 9.279906 14.25878 6.777552 4.681311       11.49138 
1 1 1 -24 36 18 o 16.00077 7.156212 7.310553       22.98002 30.52000       53.38505 2.031871       25.45951 20.78149 9.843249 15.69325 7.217733 5.088237       12.20595 
1 1 1 -24 36 19 o 16.82676 7.599596 9.190954       26.63395 -93.80000      52.70639 44.50882       30.86462 14.57675 7.382297 22.86323 9.132697 -8.286480      11.74327 
1 1 1 -24 37 1  o 27.09156 8.789660 56.42983       26.65061 0.000000       0.000000 56.42983       26.65061 ?        ?        27.09156 8.789660 ?              ?        
1 1 1 -24 37 2  o 30.80846 8.005329 66.39410       24.35757 48.05000       57.87836 70.34220       26.85112 22.82194 10.63000 30.93391 8.572023 -8.111967      13.65564 
1 1 1 -24 37 3  o 21.15987 9.151996 32.21033       34.78405 -9.253000      55.84734 58.49000       44.46111 18.88362 9.218153 24.46512 10.46065 -5.581501      13.94273 
1 1 1 -24 37 4  o 30.94287 9.063214 73.96526       29.20616 62.73000       55.82533 78.19932       34.27035 24.12340 10.93807 30.09800 9.978664 -5.974602      14.80591 
1 1 1 -24 37 5  o 23.68079 8.923430 44.38475       28.17309 75.33000       55.84791 33.82168       32.62910 25.32952 11.25305 21.35547 9.039754 3.974043       14.43427 
1 1 1 -24 37 6  o 15.35106 6.980410 1.922038       22.93638 -75.12000      53.75313 19.07166       25.36105 15.60435 7.846733 18.52996 7.911089 -2.925613      11.14256 
1 1 1 -24 37 7  o 18.82405 8.162942 19.72127       27.81779 -31.32000      53.90508 38.24780       32.47626 17.44671 8.622229 22.03114 9.150753 -4.584431      12.57295 
1 1 1 -24 37 8  o 21.43673 8.742651 34.48212       28.94230 -3.540000      54.59740 49.34272       34.13279 18.94877 9.219692 23.83046 9.574997 -4.881695      13.29223 
1 1 1 -24 37 9  o 13.48662 6.397951 -11.70465      22.72411 -1.199000      53.46980 -14.02040      25.10401 18.93353 9.191961 13.86042 6.617229 5.073111       11.32607 
1 1 1 -24 37 10 o 16.99413 7.432998 12.25472       23.48844 -55.16000      54.41484 27.69226       26.03928 16.32523 8.164046 20.04683 8.247316 -3.721600      11.60474 
1 1 1 -24 37 11 o 13.21666 6.432341 -24.67552      26.62215 -48.93000      53.62778 -16.74359      30.66786 16.43683 8.202157 14.80343 7.131592 1.633407       10.86899 
1 1 1 -24 37 12 o 20.31473 8.415750 29.73982       27.36805 12.89000       54.16533 35.51621       31.71408 19.62230 9.459295 21.25918 8.950954 -1.636879      13.02297 
1 1 1 -24 37 13 o 12.76134 6.152843 -18.18454      22.93934 -30.96000      52.44590 -15.16226      25.50879 16.96825 8.407087 13.72662 6.584649 3.241628       10.67880 
1 1 1 -24 37 14 o 18.64540 7.999443 21.16816       26.16333 0.000000       0.000000 21.16816       26.16333 ?        ?        18.64540 7.999443 ?              ?        
1 1 1 -24 37 15 o 18.34826 8.276701 16.80490       31.48009 0.000000       0.000000 16.80490       31.48009 ?        ?        18.34826 8.276701 ?              ?        
1 1 1 -24 38 1  o 36.41157 7.231545 88.20876       24.86470 67.90000       58.80759 92.62975       27.43793 23.49130 10.86327 36.30364 7.942723 -12.81234      13.45725 
1 1 1 -24 38 2  f 24.49209 8.283128 46.12628       23.59986 71.97000       57.04355 40.78936       25.92235 23.96340 10.93965 22.65550 8.554611 1.307907       13.88731 
1 1 1 -24 38 3  o 18.85644 8.090962 22.32700       26.77143 0.000000       0.000000 22.32700       26.77143 ?        ?        18.85644 8.090962 ?              ?        
1 1 1 -24 38 4  o 16.00873 7.232596 6.472988       24.14759 -43.17000      54.48610 18.60695       26.93755 16.59982 8.280992 18.23028 7.967165 -1.630453      11.49132 
1 1 1 -24 38 5  o 20.83863 9.061536 34.44554       34.47523 46.16000       55.19115 26.95000       44.14786 21.75897 10.21424 20.07788 9.328816 1.681093       13.83321 
1 1 1 -24 38 6  o 18.06042 8.039995 16.71491       28.65660 7.733000       53.66197 20.29824       33.89422 19.06875 9.246094 18.92345 8.557267 0.1452999      12.59830 
1 1 1 -24 38 7  o 13.32202 6.374851 -14.10137      23.58711 -60.85000      52.77514 -2.432331      26.36711 15.67643 7.868208 15.23908 7.123354 0.4373569      10.61371 
1 1 1 -24 38 8  f 18.33269 7.761353 20.42923       24.05876 44.12000       54.21241 14.61913       26.84733 21.63913 10.14693 17.58981 7.809078 4.049316       12.80398 
1 1 1 -24 38 9  o 17.85364 8.031480 14.81014       29.41076 -52.08000      53.83907 43.26117       35.11280 16.13028 8.074564 22.12727 9.372474 -5.996992      12.37101 
1 1 1 -24 38 10 o 19.91892 9.573975 23.37000       54.53466 23.37000       54.53466 0.000000       0.000000 19.91892 9.573975 ?        ?        ?              ?        
1 1 1 -23 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  3  o 14.26019 7.917979 13.85903       16.29015 13.85903       16.29015 13.85903       16.29015 14.26019 7.917979 14.26019 7.917979 0.000000       0.000000 
1 1 1 -23 0  4  o 33.87798 6.646724 62.68447       19.61995 62.68447       19.61995 62.68447       19.61995 33.87798 6.646724 33.87798 6.646724 -0.000000      0.000000 
1 1 1 -23 0  5  o 12.28654 7.430285 7.249571       16.41910 7.249571       16.41910 7.249571       16.41910 12.28654 7.430285 12.28654 7.430285 -0.000000      0.000000 
1 1 1 -23 0  6  o 26.02582 8.005049 41.70412       17.83253 41.70412       17.83253 41.70412       17.83253 26.02582 8.005049 26.02582 8.005049 0.000000       0.000000 
1 1 1 -23 0  7  o 109.9400 4.303981 596.9244       46.15460 596.9244       46.15460 596.9244       46.15460 109.9400 4.303981 109.9400 4.303981 -0.000000      0.000000 
1 1 1 -23 0  8  o 75.86635 4.105446 285.3458       30.28173 285.3458       30.28173 285.3458       30.28173 75.86635 4.105446 75.86635 4.105446 0.000000       0.000000 
1 1 1 -23 0  9  o 41.31941 5.461547 88.42815       21.01528 88.42815       21.01528 88.42815       21.01528 41.31941 5.461547 41.31941 5.461547 -0.000000      0.000000 
1 1 1 -23 0  10 o 28.63815 7.576012 48.13308       18.34781 48.13308       18.34781 48.13308       18.34781 28.63815 7.576012 28.63815 7.576012 -0.000000      0.000000 
1 1 1 -23 0  11 o 65.67345 4.290751 214.8662       27.30838 214.8662       27.30838 214.8662       27.30838 65.67345 4.290751 65.67345 4.290751 0.000000       0.000000 
1 1 1 -23 0  12 o 106.8864 4.323143 565.0204       45.06166 565.0204       45.06166 565.0204       45.06166 106.8864 4.323143 106.8864 4.323143 -0.000000      0.000000 
1 1 1 -23 0  13 f 55.17066 4.580242 152.9883       24.32838 152.9883       24.32838 152.9883       24.32838 55.17066 4.580242 55.17066 4.580242 -0.000000      0.000000 
1 1 1 -23 0  14 o 67.13399 4.338724 224.6944       28.23413 224.6944       28.23413 224.6944       28.23413 67.13399 4.338724 67.13399 4.338724 0.000000       0.000000 
1 1 1 -23 0  15 o 44.33839 5.238173 101.0431       21.90063 101.0431       21.90063 101.0431       21.90063 44.33839 5.238173 44.33839 5.238173 -0.000000      0.000000 
1 1 1 -23 0  16 o 48.70616 4.876548 120.5453       22.67347 120.5453       22.67347 120.5453       22.67347 48.70616 4.876548 48.70616 4.876548 0.000000       0.000000 
1 1 1 -23 0  17 o 17.91057 8.754186 23.75986       18.13315 23.75986       18.13315 23.75986       18.13315 17.91057 8.754186 17.91057 8.754186 0.000000       0.000000 
1 1 1 -23 0  18 o 11.25810 7.170110 2.090060       17.39754 2.090060       17.39754 2.090060       17.39754 11.25810 7.170110 11.25810 7.170110 0.000000       0.000000 
1 1 1 -23 0  19 o 51.22319 5.000081 133.4338       24.48370 133.4338       24.48370 133.4338       24.48370 51.22319 5.000081 51.22319 5.000081 0.000000       0.000000 
1 1 1 -23 0  20 o 30.26305 7.989526 54.23875       20.44712 54.23875       20.44712 54.23875       20.44712 30.26305 7.989526 30.26305 7.989526 0.000000       0.000000 
1 1 1 -23 0  21 o 11.12349 7.240956 -0.8902470     19.04589 -0.8902470     19.04589 -0.8902470     19.04589 11.12349 7.240956 11.12349 7.240956 0.000000       0.000000 
1 1 1 -23 0  22 o 40.99124 6.378778 89.54597       23.74784 89.54597       23.74784 89.54597       23.74784 40.99124 6.378778 40.99124 6.378778 -0.000000      0.000000 
1 1 1 -23 0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  24 o 30.83617 14.09368 74.29000       46.29263 74.29000       46.29263 74.29000       46.29263 30.83617 14.09368 30.83617 14.09368 0.000000       0.000000 
1 1 1 -23 0  25 o 88.06939 7.501822 400.9000       63.54757 400.9000       63.54757 400.9000       63.54757 88.06939 7.501822 88.06939 7.501822 -0.000000      0.000000 
1 1 1 -23 0  26 o 15.61637 9.010981 16.40963       22.21012 16.40963       22.21012 16.40963       22.21012 15.61637 9.010981 15.61637 9.010981 0.000000       0.000000 
1 1 1 -23 0  27 o 97.02496 4.634987 470.6700       43.78891 470.6700       43.78891 470.6700       43.78891 97.02496 4.634987 97.02496 4.634987 -0.000000      0.000000 
1 1 1 -23 0  28 o 13.16228 8.676137 -3.024000      28.64392 -3.024000      28.64392 -3.024000      28.64392 13.16228 8.676137 13.16228 8.676137 0.000000       0.000000 
1 1 1 -23 0  29 o 73.50465 6.379483 278.4000       45.07056 278.4000       45.07056 278.4000       45.07056 73.50465 6.379483 73.50465 6.379483 0.000000       0.000000 
1 1 1 -23 0  30 o 66.03645 5.254222 222.3062       33.45306 222.3062       33.45306 222.3062       33.45306 66.03645 5.254222 66.03645 5.254222 0.000000       0.000000 
1 1 1 -23 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  32 f 12.46919 8.232914 -2.489381      25.96065 -2.489381      25.96065 -2.489381      25.96065 12.46919 8.232914 12.46919 8.232914 0.000000       0.000000 
1 1 1 -23 0  33 o 12.95713 8.474449 0.2927034      26.53291 0.2927034      26.53291 0.2927034      26.53291 12.95713 8.474449 12.95713 8.474449 0.000000       0.000000 
1 1 1 -23 0  34 o 22.67690 10.94376 41.78897       28.21474 41.78897       28.21474 41.78897       28.21474 22.67690 10.94376 22.67690 10.94376 0.000000       0.000000 
1 1 1 -23 0  35 o 39.51438 9.038407 93.24190       30.45217 93.24190       30.45217 93.24190       30.45217 39.51438 9.038407 39.51438 9.038407 0.000000       0.000000 
1 1 1 -23 0  36 o 29.92494 11.25048 65.37941       30.79819 65.37941       30.79819 65.37941       30.79819 29.92494 11.25048 29.92494 11.25048 -0.000000      0.000000 
1 1 1 -23 0  37 o 18.13417 10.49072 25.98414       30.22213 25.98414       30.22213 25.98414       30.22213 18.13417 10.49072 18.13417 10.49072 0.000000       0.000000 
1 1 1 -23 0  38 o 25.36727 11.67789 53.10071       31.80620 53.10071       31.80620 53.10071       31.80620 25.36727 11.67789 25.36727 11.67789 -0.000000      0.000000 
1 1 1 -23 0  39 o 12.32121 8.365154 -9.688957      30.37444 -9.688957      30.37444 -9.688957      30.37444 12.32121 8.365154 12.32121 8.365154 -0.000000      0.000000 
1 1 1 -23 0  40 o 25.48583 12.00157 55.53593       33.71693 55.53593       33.71693 55.53593       33.71693 25.48583 12.00157 25.48583 12.00157 0.000000       0.000000 
1 1 1 -23 0  41 o 9.855068 7.066228 -44.15585      32.11048 -44.15585      32.11048 -44.15585      32.11048 9.855068 7.066228 9.855068 7.066228 0.000000       0.000000 
1 1 1 -23 0  42 o 16.78128 10.41738 19.30432       34.25036 19.30432       34.25036 19.30432       34.25036 16.78128 10.41738 16.78128 10.41738 -0.000000      0.000000 
1 1 1 -23 0  43 o 17.55527 10.73897 23.69983       35.15723 23.69983       35.15723 23.69983       35.15723 17.55527 10.73897 17.55527 10.73897 -0.000000      0.000000 
1 1 1 -23 0  44 o 19.95911 12.59089 33.01000       52.19291 33.01000       52.19291 33.01000       52.19291 19.95911 12.59089 19.95911 12.59089 -0.000000      0.000000 
1 1 1 -23 0  45 o 32.18229 12.52933 82.72916       37.61603 82.72916       37.61603 82.72916       37.61603 32.18229 12.52933 32.18229 12.52933 -0.000000      0.000000 
1 1 1 -23 0  46 o 18.34781 11.80218 22.86000       48.60931 22.86000       48.60931 22.86000       48.60931 18.34781 11.80218 18.34781 11.80218 -0.000000      0.000000 
1 1 1 -23 0  47 o 20.96015 12.78168 42.19000       49.45861 42.19000       49.45861 42.19000       49.45861 20.96015 12.78168 20.96015 12.78168 -0.000000      0.000000 
1 1 1 -23 0  48 o 21.86926 12.00974 45.95772       37.01605 45.95772       37.01605 45.95772       37.01605 21.86926 12.00974 21.86926 12.00974 0.000000       0.000000 
1 1 1 -23 0  49 o 14.56991 9.719035 1.793616       37.74525 1.793616       37.74525 1.793616       37.74525 14.56991 9.719035 14.56991 9.719035 -0.000000      0.000000 
1 1 1 -23 0  50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 0  51 o 15.91425 10.30802 14.04144       37.93833 14.04144       37.93833 14.04144       37.93833 15.91425 10.30802 15.91425 10.30802 -0.000000      0.000000 
1 1 1 -23 0  52 o 15.51638 10.64961 -3.821000      52.20660 -3.821000      52.20660 -3.821000      52.20660 15.51638 10.64961 15.51638 10.64961 0.000000       0.000000 
1 1 1 -23 1  1  o 62.89977 2.886601 194.7625       17.72486 218.1537       25.98141 174.3979       24.24232 66.40434 4.016010 59.31331 4.202789 7.091034       5.813069 
1 1 1 -23 1  2  o 27.34727 4.707915 37.98753       12.14769 30.56480       17.39035 45.06077       16.97600 24.41081 6.946874 29.57790 6.067266 -5.167088      9.223382 
1 1 1 -23 1  3  o 72.16285 2.851081 256.1970       20.09898 244.8707       28.52199 267.3694       28.32751 70.33797 4.161298 73.54852 3.949334 -3.210541      5.737041 
1 1 1 -23 1  4  o 82.37488 2.837896 333.7165       22.84801 352.9795       33.23281 316.4499       31.46366 84.51699 4.028738 80.01375 4.030316 4.503242       5.698612 
1 1 1 -23 1  5  o 46.71259 3.288189 107.8540       14.93872 113.9428       21.49503 102.1655       20.77639 47.79129 4.653852 45.20820 4.766790 2.583084       6.661878 
1 1 1 -23 1  6  o 66.66013 2.926903 218.7792       19.05113 223.7234       27.11126 213.9563       26.77658 67.21213 4.141043 65.71483 4.184537 1.497299       5.887154 
1 1 1 -23 1  7  o 13.15041 5.398192 2.911805       11.12402 12.88199       15.41244 -7.929601      16.07173 17.97639 6.634067 13.13481 5.920412 4.841582       8.891688 
1 1 1 -23 1  8  o 23.36554 5.457304 28.19009       12.25437 30.40726       17.06503 25.82949       17.60834 24.30436 6.869834 22.74435 7.118874 1.560013       9.893078 
1 1 1 -23 1  9  o 19.38772 5.758239 18.98656       11.72142 9.926009       16.26254 28.78242       16.90956 17.35237 6.719696 23.69987 6.883367 -6.347506      9.619514 
1 1 1 -23 1  10 o 87.07410 2.948708 373.2678       25.09573 377.6153       35.77594 369.0562       35.21222 87.31774 4.198136 86.32474 4.179695 0.9930038      5.924036 
1 1 1 -23 1  11 o 21.40731 5.637773 23.65935       11.97465 21.02066       17.05848 26.22283       16.81359 20.99708 7.042008 22.75321 6.928056 -1.756130      9.878655 
1 1 1 -23 1  12 o 29.37378 4.655635 43.78902       12.93994 48.30209       18.22440 39.20043       18.37623 30.51583 6.309794 27.38730 6.868056 3.128521       9.326505 
1 1 1 -23 1  13 o 95.81895 2.986801 452.3380       27.97907 437.0809       39.29041 468.0345       39.85233 93.85776 4.288042 97.15716 4.200490 -3.299400      6.002617 
1 1 1 -23 1  14 o 62.85613 3.027829 194.9969       18.57402 206.2651       26.23426 183.6711       26.30113 64.41029 4.183731 60.69938 4.457833 3.710907       6.113581 
1 1 1 -23 1  15 o 14.23579 5.645991 5.638773       11.71435 14.65879       16.53150 -3.458258      16.60192 18.76684 6.880029 14.18835 6.226234 4.578495       9.279051 
1 1 1 -23 1  16 o 64.02506 3.083861 202.5211       19.26957 175.2937       26.89766 231.2288       27.61923 59.18341 4.681200 68.16954 4.158978 -8.986126      6.261847 
1 1 1 -23 1  17 o 58.59397 3.175983 169.8577       18.14725 169.4505       25.96929 170.2462       25.36941 58.18322 4.597240 58.35410 4.475694 -0.1708794     6.416109 
1 1 1 -23 1  18 o ?        ?        -47.26133      11.16723 -46.09137      15.70177 -48.45883      15.88553 8.512853 4.275335 8.437873 4.246017 0.7497978E-01  6.025541 
1 1 1 -23 1  19 o 12.69134 5.489998 -1.086145      12.52035 -3.047114      17.47247 0.9834947      17.95008 14.60070 6.397851 15.63417 6.664599 -1.033474      9.238472 
1 1 1 -23 1  20 o 29.49432 5.117110 44.82470       14.23764 49.44630       19.94514 40.02279       20.33052 30.53419 6.843140 27.39442 7.406127 3.139767       10.08362 
1 1 1 -23 1  21 f 34.13311 4.647617 59.28026       15.12492 64.02846       21.09804 54.25996       21.69415 34.95275 6.402596 31.89782 7.127949 3.054939       9.581279 
1 1 1 -23 1  22 o 34.18526 6.835318 61.94276       22.07211 61.94276       22.07211 0.000000       0.000000 34.18526 6.835318 ?        ?        ?              ?        
1 1 1 -23 1  23 o 33.39976 9.060876 61.75838       30.36787 38.95000       42.78260 84.92000       43.11261 28.86831 10.96948 38.44456 10.93712 -9.576246      15.49032 
1 1 1 -23 1  24 o 37.79185 8.836640 79.10256       32.10064 73.97000       45.58815 84.15000       45.20854 35.81902 11.48493 38.01104 11.31336 -2.192024      16.12129 
1 1 1 -23 1  25 o 80.08242 4.059011 321.2188       31.71356 346.0000       63.72460 313.0606       36.56295 80.38981 8.213723 78.71621 4.767732 1.673599       9.497185 
1 1 1 -23 1  26 o 41.24186 8.657277 94.13346       33.83295 45.85000       47.75277 142.8000       47.94183 30.30418 11.57137 50.09157 10.12646 -19.78739      15.37666 
1 1 1 -23 1  27 o 69.87861 3.837376 244.5616       26.14656 267.9000       41.41059 229.0891       33.71752 72.03988 5.924945 66.99949 5.181598 5.040390       7.871082 
1 1 1 -23 1  28 o 35.22621 5.890188 65.28577       19.59307 48.81000       28.62210 79.81446       26.87768 29.51932 9.049169 38.32232 7.433564 -8.802996      11.71091 
1 1 1 -23 1  29 o 45.29855 4.878995 105.1904       21.29246 102.9745       26.65188 109.1000       35.40185 44.14460 6.350503 44.26862 8.478650 -0.1240234     10.59322 
1 1 1 -23 1  30 o 33.12643 6.367019 58.97461       19.89522 38.65110       24.88087 95.01000       33.13071 26.43628 8.485487 41.02494 8.528959 -14.58866      12.03107 
1 1 1 -23 1  31 o 32.33181 6.293129 56.42392       19.19925 41.86407       26.38912 72.79774       27.98476 27.22026 8.739067 35.83414 8.161577 -8.613880      11.95753 
1 1 1 -23 1  32 o 27.77923 7.017183 43.01717       19.08331 69.35693       27.27698 17.76527       26.70776 34.79195 8.152874 21.21072 8.487763 13.58123       11.76909 
1 1 1 -23 1  33 o 25.58137 7.354156 37.00238       19.39349 34.82013       27.28437 39.23072       27.57094 25.03897 8.882808 26.17094 8.951329 -1.131971      12.61073 
1 1 1 -23 1  34 o 27.99847 7.284885 44.68792       20.15280 46.10903       28.65289 43.29666       28.35026 27.81826 9.119795 27.09207 9.078207 0.7261963      12.86796 
1 1 1 -23 1  35 o 26.36637 7.642853 40.20345       20.86542 30.04181       29.14355 50.89000       29.88680 23.82943 9.053918 28.87448 9.303029 -5.045046      12.98152 
1 1 1 -23 1  36 f 22.19894 7.814298 26.90371       21.08228 -13.81497      29.00418 72.51574       30.69753 16.44497 7.613313 34.40238 9.010643 -17.95741      11.79637 
1 1 1 -23 1  37 o 19.38898 7.669127 16.17788       21.55968 52.29541       30.23876 -21.16537      30.74758 28.96015 9.360013 16.09360 7.576354 12.86655       12.04205 
1 1 1 -23 1  38 o 29.54252 7.742396 51.60300       22.65543 62.07703       32.09259 41.19786       31.98690 31.15455 9.587915 26.13817 9.572165 5.016384       13.54823 
1 1 1 -23 1  39 o 15.01915 6.810914 -5.954301      21.65396 -26.55462      30.73971 14.33699       30.50827 15.44118 7.358139 20.57901 8.727366 -5.137836      11.41530 
1 1 1 -23 1  40 o 20.81019 8.015738 22.09254       23.05059 33.21327       32.64572 11.03596       32.55141 24.15913 9.473331 20.31099 8.818823 3.848145       12.94278 
1 1 1 -23 1  41 o 18.68525 7.760023 12.65441       23.35066 1.796596       32.48854 24.25705       33.58437 18.90520 8.477982 22.47715 9.318109 -3.571945      12.59775 
1 1 1 -23 1  42 o 19.06808 7.857028 14.83334       23.68207 -7.818150      33.32338 37.94781       33.66221 17.77144 8.203738 24.75541 9.645070 -6.983963      12.66210 
1 1 1 -23 1  43 o 17.64581 7.870884 2.144181       27.60374 -9.647099      33.14773 28.82000       49.85770 17.45903 8.102229 24.24570 10.70885 -6.786678      13.42853 
1 1 1 -23 1  44 o 18.52354 8.159096 6.477882       28.75551 18.20517       35.30098 -16.65000      49.57423 21.37406 9.232133 19.90975 9.446442 1.464312       13.20862 
1 1 1 -23 1  45 o 29.16995 9.368357 57.85500       30.32454 -29.26000      54.83082 96.24269       36.39772 19.73526 9.514619 37.46518 9.811038 -17.72992      13.66691 
1 1 1 -23 1  46 o 21.82631 8.785811 26.09412       28.79450 23.44000       49.88701 27.42010       35.26115 23.38407 10.49455 22.63409 9.478179 0.7499809      14.14113 
1 1 1 -23 1  47 o 14.26607 6.855191 -26.66759      27.91825 -39.81781      34.68545 -2.474000      47.04691 15.03617 7.323309 20.49742 9.559478 -5.461249      12.04220 
1 1 1 -23 1  48 o 19.65249 8.463372 13.99565       29.49575 22.64543       37.12782 -0.8041000     48.56507 21.96636 9.477885 20.77774 9.697590 1.188623       13.56000 
1 1 1 -23 1  49 o 29.55290 8.801951 58.46496       27.35763 66.24928       39.68903 51.41822       37.76193 29.34637 10.67555 26.62357 10.25837 2.722794       14.80546 
1 1 1 -23 1  50 o 44.26357 6.859990 115.7089       28.76081 115.9521       41.10257 115.4755       40.25844 39.74147 10.43495 39.94973 10.24659 -0.2082596     14.62466 
1 1 1 -23 1  51 o 26.82458 9.563025 52.33549       31.65887 54.68218       39.96141 48.38000       51.88154 26.54856 10.45969 25.33111 11.06392 1.217445       15.22549 
1 1 1 -23 1  52 o 43.22878 7.214065 114.7840       29.45020 115.5018       43.02069 114.1510       40.40044 37.74492 10.98411 38.50077 10.45358 -0.7558517     15.16338 
1 1 1 -23 2  1  o 99.31950 2.887256 485.0152       28.03915 463.4008       39.73026 506.4630       39.57688 96.82813 4.201929 101.2808 4.000031 -4.452644      5.801418 
1 1 1 -23 2  2  o 84.79918 3.885133 355.0859       32.16239 333.0000       45.78574 376.6000       45.18910 81.67526 5.764105 87.00054 5.332079 -5.325279      7.852132 
1 1 1 -23 2  3  o 89.37790 3.846842 394.3354       33.57552 368.9000       46.84718 421.2000       48.14535 86.02904 5.593625 92.01176 5.369028 -5.982727      7.753393 
1 1 1 -23 2  4  o 77.66086 2.849521 296.6822       21.62436 304.5623       31.14380 289.3466       30.04853 78.48214 4.067985 76.49921 4.027100 1.982925       5.724162 
1 1 1 -23 2  5  o 56.59935 3.034627 157.9116       16.75067 168.2852       24.31961 148.5483       23.10508 58.23098 4.297010 54.68026 4.352789 3.550716       6.116459 
1 1 1 -23 2  6  o 111.1636 3.034522 607.9295       32.98776 606.8580       46.83179 608.9847       46.47375 110.7703 4.327604 110.9755 4.286390 -0.2051849     6.091083 
1 1 1 -23 2  7  o 63.16296 3.000134 196.5668       18.49550 178.1350       25.92064 215.6853       26.39911 59.87433 4.454736 65.98374 4.107763 -6.109409      6.059570 
1 1 1 -23 2  8  o 57.91367 3.030678 165.3714       17.12037 169.0854       24.40768 161.7742       24.02068 58.34584 4.304060 57.05794 4.333341 1.287903       6.107600 
1 1 1 -23 2  9  o 14.25743 5.573663 6.176135       11.27193 -9.023208      15.62217 22.68250       16.28001 12.70366 5.770423 21.45197 6.861711 -8.748310      8.965537 
1 1 1 -23 2  10 o 66.83760 2.929016 220.0952       19.11582 219.0544       27.22363 221.1076       26.84799 66.44547 4.207367 66.77423 4.127861 -0.3287582     5.894165 
1 1 1 -23 2  11 o 81.56158 2.948348 327.6451       23.49932 324.9665       33.39540 330.2721       33.07307 80.95710 4.228963 81.63581 4.152566 -0.6787109     5.926883 
1 1 1 -23 2  12 o 19.30399 5.865226 18.75096       12.05927 17.15487       16.93667 20.39220       17.17459 19.69548 6.997397 20.79206 7.065830 -1.096582      9.944322 
1 1 1 -23 2  13 o 22.84612 5.601193 27.07743       12.42756 29.61210       17.25315 24.34424       17.91603 23.95720 6.951442 22.21059 7.206803 1.746618       10.01302 
1 1 1 -23 2  14 o 46.36713 3.464452 106.6541       15.60990 121.2464       22.30369 92.64337       21.85462 49.19416 4.688510 42.78551 5.333958 6.408646       7.101636 
1 1 1 -23 2  15 o 29.69876 4.805312 44.94300       13.49217 23.23846       18.80734 67.95748       19.36657 21.95321 7.394424 36.45990 5.605887 -14.50669      9.279196 
1 1 1 -23 2  16 o 38.99803 3.879354 76.00201       14.61224 78.62470       20.56100 73.32568       20.77023 39.27747 5.498466 37.82470 5.794239 1.452774       7.987886 
1 1 1 -23 2  17 o 27.20836 5.187064 38.17198       13.31024 32.62492       18.66354 43.91339       18.98770 24.99538 7.223253 28.86814 6.827482 -3.872757      9.939311 
1 1 1 -23 2  18 o 15.29463 5.914916 7.911823       12.58791 6.962184       17.80617 8.860574       17.79784 16.98158 6.882661 17.45955 6.948017 -0.4779682     9.779876 
1 1 1 -23 2  19 o 34.01615 4.495283 58.61940       14.60145 52.09806       20.39419 65.47794       20.91480 31.40104 6.830083 35.47511 6.251471 -4.074070      9.259099 
1 1 1 -23 2  20 o 37.47329 4.353083 70.89653       15.67026 68.09627       22.00730 73.77646       22.31816 36.07642 6.469828 37.65127 6.276658 -1.574852      9.014161 
1 1 1 -23 2  21 o 49.91156 5.187553 126.5470       24.97441 126.5470       24.97441 0.000000       0.000000 49.91156 5.187553 ?        ?        ?              ?        
1 1 1 -23 2  22 o 37.32571 8.489708 76.05769       30.31499 79.09000       43.72092 73.25000       42.07045 37.21615 11.13741 35.95226 10.96136 1.263889       15.62668 
1 1 1 -23 2  23 o 36.85382 5.568920 70.20185       19.46304 74.49437       21.84419 53.67000       42.86874 37.79125 6.113931 31.67789 11.14365 6.113354       12.71067 
1 1 1 -23 2  24 o 27.50210 6.145331 40.10960       16.12593 46.71198       22.12125 32.62207       23.55748 29.33008 7.632886 25.05038 8.272054 4.279703       11.25557 
1 1 1 -23 2  25 o 61.17218 4.413332 188.6053       26.24807 184.4000       51.73957 190.0627       30.45857 57.63343 9.502413 61.09759 5.140702 -3.464157      10.80383 
1 1 1 -23 2  26 o 77.72300 4.766861 305.6082       36.09060 0.000000       0.000000 305.6082       36.09060 ?        ?        77.72300 4.766861 ?              ?        
1 1 1 -23 2  27 o 26.09617 10.69177 24.28000       43.53138 0.000000       0.000000 24.28000       43.53138 ?        ?        26.09617 10.69177 ?              ?        
1 1 1 -23 2  28 o 31.11043 6.072017 51.42638       17.82643 61.46464       24.51420 40.16091       25.96947 33.42969 7.656691 27.09634 8.666275 6.333345       11.56414 
1 1 1 -23 2  29 o 28.60976 6.518544 44.21450       17.84598 31.88858       24.08689 59.21473       26.57174 24.60958 8.367716 32.47026 8.322642 -7.860680      11.80191 
1 1 1 -23 2  30 o 17.19097 6.989187 8.401833       18.42798 -0.1358481     23.17287 23.09000       30.39441 17.00013 7.410248 23.26011 9.134849 -6.259983      11.76254 
1 1 1 -23 2  31 o 20.80812 7.511622 21.18126       19.60043 13.72282       24.28466 35.12000       33.19861 19.93494 8.052888 25.98052 9.708256 -6.045578      12.61345 
1 1 1 -23 2  32 o 26.31500 7.039283 38.62735       18.48519 39.51245       25.19294 37.59506       27.20709 26.37789 8.544946 25.91744 8.891255 0.4604568      12.33169 
1 1 1 -23 2  33 o 17.52833 7.026361 10.79500       18.33529 13.40386       25.12118 7.820833       26.82236 19.81877 8.121244 19.16873 8.158265 0.6500435      11.51138 
1 1 1 -23 2  34 o 19.51861 7.468133 17.27834       19.91726 38.45132       27.72507 -5.301365      28.63128 25.84244 8.970601 17.54338 7.905293 8.299057       11.95681 
1 1 1 -23 2  35 o 53.57800 4.589770 148.7647       23.83876 160.9090       33.28849 135.9804       34.15438 54.39333 6.373041 49.21095 7.312475 5.182381       9.699894 
1 1 1 -23 2  36 o 18.98486 7.514977 15.01201       20.71619 8.799009       28.26128 22.22741       30.45588 19.44690 8.328055 22.28044 9.011815 -2.833536      12.27067 
1 1 1 -23 2  37 o 40.38147 5.978790 88.77248       22.91897 113.0875       32.55551 64.88062       32.27100 44.20691 7.809138 31.98637 9.567650 12.22053       12.35000 
1 1 1 -23 2  38 o 13.42380 6.307875 -16.46297      21.14128 -24.83741      30.16851 -8.382002      29.63519 15.50461 7.360073 17.16902 7.855762 -1.664401      10.76493 
1 1 1 -23 2  39 o 25.44251 8.096153 38.76274       22.68776 47.07214       32.91470 31.24110       31.31566 27.26102 9.747262 23.81461 9.295853 3.446419       13.46930 
1 1 1 -23 2  40 o 17.69606 7.548018 7.653512       23.04831 -46.49050      33.12717 58.45428       32.08812 14.43724 7.058798 29.83204 9.642004 -15.39480      11.94968 
1 1 1 -23 2  41 o 37.65906 7.050526 82.04170       25.03452 91.80343       35.44439 72.32418       35.36405 37.39296 9.626787 32.56765 10.07211 4.825310       13.93278 
1 1 1 -23 2  42 o 19.47580 8.279789 13.20532       27.57449 -0.8303675     33.12041 44.91000       49.77835 18.53884 8.413491 26.37014 11.16406 -7.831305      13.97938 
1 1 1 -23 2  43 o 30.07773 9.022804 59.63119       28.66892 74.96900       34.78701 27.16000       50.61562 32.81795 9.959719 24.10229 10.71010 8.715658       14.62540 
1 1 1 -23 2  44 o 17.80903 7.642867 8.545413       23.89596 7.839091       34.31520 9.210394       33.29583 19.77859 8.801886 19.78662 8.744776 -0.8026123E-02 12.40743 
1 1 1 -23 2  45 o 26.61810 9.104622 47.05646       28.52339 38.65000       49.81028 51.15807       34.79284 25.17070 10.91906 27.10881 9.973938 -1.938114      14.78869 
1 1 1 -23 2  46 o 20.29473 8.609432 17.20215       29.70465 3.130000       55.17060 22.94685       35.25020 22.02204 10.29726 21.91839 9.341331 0.1036510      13.90302 
1 1 1 -23 2  47 o 35.60710 7.868029 78.35085       26.69115 58.74777       38.00475 97.43098       37.49441 28.30449 10.42239 37.23180 10.05434 -8.927301      14.48157 
1 1 1 -23 2  48 o 26.07173 9.291013 46.03450       29.88065 41.71948       37.32952 53.73000       49.85168 24.99784 10.02391 26.82164 11.25329 -1.823805      15.07035 
1 1 1 -23 2  49 o 19.12104 8.428235 9.736415       30.73474 43.84498       38.39353 -51.12000      51.28372 25.24246 10.15062 17.64033 8.657506 7.602133       13.34120 
1 1 1 -23 2  50 o 25.31566 9.428507 44.42276       31.26165 50.59082       39.47692 34.05000       51.19366 26.15100 10.36685 24.02878 10.71836 2.122213       14.91157 
1 1 1 -23 2  51 o 16.75546 7.791415 -7.074727      30.89241 51.01000       55.44542 -33.22401      37.20185 25.59195 11.29868 15.81665 7.676064 9.775300       13.65951 
1 1 1 -23 2  52 o 17.98992 7.907425 9.757088       26.87807 41.05657       39.10544 -18.26918      37.00422 23.88423 9.990171 16.76439 8.011937 7.119843       12.80604 
1 1 1 -23 3  1  o 210.7711 6.207179 2214.930       127.9199 2193.000       180.6176 2237.000       181.1960 207.7183 8.904074 209.8497 8.841134 -2.131409      12.54784 
1 1 1 -23 3  2  o 78.25684 4.331160 303.2405       33.04728 312.3000       49.97441 296.2000       44.05507 78.84786 6.533788 76.96133 5.892954 1.886528       8.798710 
1 1 1 -23 3  3  o 105.2253 4.055619 546.8699       41.69363 537.2000       59.17957 556.4000       58.75018 103.7815 5.849343 105.6745 5.700902 -1.893013      8.167932 
1 1 1 -23 3  4  o 110.0432 2.987818 595.6038       32.15298 564.8687       45.15302 627.2206       45.79618 106.8730 4.325246 112.6692 4.159720 -5.796219      6.000919 
1 1 1 -23 3  5  o 83.62848 2.849332 344.0222       23.28996 326.0554       33.06035 361.7234       32.81496 81.17550 4.174819 85.56322 3.928612 -4.387718      5.732635 
1 1 1 -23 3  6  o 79.96542 2.857498 314.6178       22.33036 297.0575       31.84193 331.6117       31.32423 77.45563 4.215804 81.91165 3.918227 -4.456024      5.755476 
1 1 1 -23 3  7  o 80.37364 2.904086 317.9279       22.80945 314.0721       32.72053 321.5729       31.81347 79.63970 4.212421 80.62416 4.044161 -0.9844589     5.839497 
1 1 1 -23 3  8  o 77.19319 2.956058 293.4001       22.29435 291.5072       32.27115 295.1283       30.83576 76.68248 4.316873 77.20785 4.094896 -0.5253677     5.950090 
1 1 1 -23 3  9  o 9.644910 4.520433 -10.84882      10.73701 -22.44407      14.89881 1.680206       15.48711 10.32663 4.973835 14.86509 6.256686 -4.538461      7.992819 
1 1 1 -23 3  10 o 40.82270 3.681969 82.83913       14.55459 78.93396       20.50584 86.80386       20.66164 39.47499 5.452453 41.48820 5.201886 -2.013214      7.535839 
1 1 1 -23 3  11 o 45.59369 3.448142 103.0339       15.27442 88.59258       21.27584 118.3939       21.94214 41.87772 5.309534 48.65447 4.664396 -6.776752      7.067371 
1 1 1 -23 3  12 o 98.80823 2.974628 480.9001       28.73672 477.6222       40.93263 484.0858       40.35328 98.13765 4.271389 98.82772 4.180961 -0.6900711     5.977056 
1 1 1 -23 3  13 o 69.71506 2.995226 239.7024       20.39145 271.9676       29.80792 211.3204       27.95673 74.01937 4.130533 65.15098 4.409871 8.868393       6.042207 
1 1 1 -23 3  14 o 20.74856 5.916072 22.13047       12.60032 37.65019       17.94183 7.026804       17.69971 26.80073 6.822692 17.02556 6.875895 9.775169       9.686438 
1 1 1 -23 3  15 o 9.351872 4.464813 -15.09543      11.42940 -14.27814      15.58525 -16.04641      16.81154 11.77498 5.495036 12.12402 5.673985 -0.3490353     7.898704 
1 1 1 -23 3  16 o 38.34214 4.029119 73.62281       14.89575 64.19710       20.63718 83.87430       21.52221 35.21875 6.213506 40.56377 5.567249 -5.345024      8.342776 
1 1 1 -23 3  17 o 48.79611 3.444189 118.2269       16.34478 111.2651       22.78356 125.6091       23.46137 46.94509 5.036884 49.96014 4.858898 -3.015053      6.998506 
1 1 1 -23 3  18 o 30.19034 4.895280 46.62762       13.97111 47.95619       19.26711 45.15443       20.28873 30.16431 6.699849 29.17128 7.159630 0.9930305      9.805523 
1 1 1 -23 3  19 o 58.34951 3.622823 169.3031       20.58937 169.3714       26.54823 169.2000       32.61469 58.04711 4.713005 57.60751 5.865729 0.4395981      7.524572 
1 1 1 -23 3  20 o 23.94989 8.961772 24.89191       28.30928 8.781000       40.06203 40.96000       40.00877 23.60219 10.00484 29.13077 10.69924 -5.528587      14.64823 
1 1 1 -23 3  21 o 39.39725 5.504620 79.72334       20.64887 88.79493       24.00573 53.92000       40.48660 41.40402 6.106424 31.76459 10.84763 9.639435       12.44827 
1 1 1 -23 3  22 o 28.83067 6.570004 44.17175       18.12625 46.24608       20.21000 35.64000       40.98708 29.37655 7.106536 28.08039 10.72081 1.296164       12.86229 
1 1 1 -23 3  23 o 40.11583 4.301847 81.31900       16.62831 84.91808       22.59956 77.07059       24.55377 40.47776 5.875480 38.16860 6.822556 2.309158       9.003807 
1 1 1 -23 3  24 o 68.50188 3.254441 233.1540       21.75912 223.6354       29.98240 243.7458       31.62755 66.57699 4.629672 69.49779 4.676533 -2.920799      6.580564 
1 1 1 -23 3  25 o 27.75720 8.132830 41.97956       23.51424 0.000000       0.000000 41.97956       23.51424 ?        ?        27.75720 8.132830 ?              ?        
1 1 1 -23 3  26 o 48.69050 5.888430 122.8990       27.49461 0.000000       0.000000 122.8990       27.49461 ?        ?        48.69050 5.888430 ?              ?        
1 1 1 -23 3  27 o 48.11282 6.136671 120.9142       28.24325 0.000000       0.000000 120.9142       28.24325 ?        ?        48.11282 6.136671 ?              ?        
1 1 1 -23 3  28 o 23.00783 7.912589 27.01469       21.55118 30.81807       24.81981 15.36000       43.44740 24.44470 8.487468 24.62121 10.42710 -0.1765099     13.44476 
1 1 1 -23 3  29 o 42.49414 4.815391 92.64212       19.67672 85.84153       27.06345 100.2683       28.65922 39.79594 7.213188 43.18373 7.021087 -3.387794      10.06607 
1 1 1 -23 3  30 o 84.56049 3.917501 360.0366       32.33710 413.2000       52.63689 327.8083       40.98288 88.88492 6.086745 79.77390 5.278181 9.111023       8.056530 
1 1 1 -23 3  31 o 13.90229 6.687379 -33.68565      26.72888 -89.32000      42.58366 2.483000       34.33505 14.98363 7.449616 20.44324 8.963005 -5.459611      11.65471 
1 1 1 -23 3  32 f 29.90974 7.251785 50.20852       21.00827 54.72254       25.78724 41.30000       36.22647 30.72448 8.355667 27.26405 10.15051 3.460432       13.14724 
1 1 1 -23 3  33 o 39.18592 5.437517 81.39368       20.29504 62.52561       27.44661 104.1556       30.14597 32.54690 8.517992 43.11341 7.410530 -10.56651      11.29036 
1 1 1 -23 3  34 o 13.07427 6.076828 -12.91481      18.75831 2.043449       25.59689 -30.26715      27.56930 17.77888 7.768208 14.34379 6.871341 3.435088       10.37113 
1 1 1 -23 3  35 o 27.26476 7.368791 42.79037       20.12978 54.91435       27.39968 28.57259       29.67146 30.13807 8.764650 23.53747 9.086922 6.600607       12.62502 
1 1 1 -23 3  36 o 44.22767 5.199322 103.5750       22.07909 87.69009       30.07554 122.1426       32.51619 38.56841 8.218251 46.40024 7.408350 -7.831829      11.06451 
1 1 1 -23 3  37 o 17.20711 7.240330 7.344644       20.72995 25.01296       28.88394 -11.42336      29.76925 22.51522 8.885777 16.88596 7.780229 5.629267       11.81055 
1 1 1 -23 3  38 o 23.95771 7.943140 33.36719       21.71487 33.89314       31.11983 32.86808       30.31492 24.48681 9.343380 24.21167 9.225775 0.2751331      13.13064 
1 1 1 -23 3  39 o 24.68709 8.134548 36.23316       22.78498 71.95900       33.14781 4.234285       31.37119 33.29481 9.627810 19.18353 8.482788 14.11128       12.83170 
1 1 1 -23 3  40 o 25.25796 8.185872 38.62117       23.11857 23.50805       33.66417 52.11044       31.80425 22.47202 9.323743 28.29762 9.615311 -5.825603      13.39352 
1 1 1 -23 3  41 o 17.46288 7.772855 1.144856       26.77389 14.38031       32.73922 -25.58000      46.52181 20.71809 8.919363 19.00530 9.055278 1.712790       12.71035 
1 1 1 -23 3  42 o 17.08616 7.712747 -1.728452      27.39147 11.14152       33.34966 -28.41000      48.01844 20.15815 8.835860 18.88556 9.052738 1.272591       12.65008 
1 1 1 -23 3  43 o 17.77323 7.629827 8.419705       23.82806 13.79380       34.19160 3.345129       33.22512 20.58361 8.986232 18.99446 8.541243 1.589151       12.39779 
1 1 1 -23 3  44 o 22.12654 8.697506 27.38264       27.57521 -22.53000      46.98263 53.61197       34.05851 19.04233 9.080480 27.85620 9.920112 -8.813868      13.44856 
1 1 1 -23 3  45 o 12.69030 6.171753 -32.15143      24.38936 -26.87682      36.11479 -36.57402      33.06956 16.41954 7.865396 14.89509 7.230768 1.524454       10.68403 
1 1 1 -23 3  46 o 15.74983 7.236183 -6.805701      25.49734 -48.71240      37.75237 28.34229       34.57425 15.18913 7.449100 22.70436 9.436997 -7.515234      12.02273 
1 1 1 -23 3  47 o 21.62691 8.856421 24.79226       29.85084 8.660000       54.76252 31.61197       35.60565 22.37186 10.39306 23.28949 9.618965 -0.9176273     14.16122 
1 1 1 -23 3  48 o 35.56307 7.893688 78.68670       26.76078 84.77747       38.65265 73.07941       37.08681 33.68361 10.54797 31.34617 10.38019 2.337433       14.79892 
1 1 1 -23 3  49 o 22.14843 8.958067 28.23236       30.09234 24.01577       37.96389 35.36000       49.35859 22.12387 9.565046 24.34970 10.70880 -2.225838      14.35857 
1 1 1 -23 3  50 o 23.28118 9.775357 33.42811       37.66184 18.53000       57.00248 44.97000       50.17261 22.89436 10.62471 25.21320 10.94795 -2.318838      15.25589 
1 1 1 -23 3  51 o 28.58131 8.868340 56.67554       27.39033 75.18132       39.32224 39.23401       38.17480 30.52699 10.67777 23.93038 9.928782 6.596615       14.58066 
1 1 1 -23 3  52 f 21.74465 8.592762 29.99130       27.04206 33.78298       39.04815 26.49689       37.48616 22.80490 9.778125 21.69982 9.442335 1.105078       13.59299 
1 1 1 -23 4  1  o 87.57375 3.280609 377.8010       28.07154 441.2000       55.75809 356.2757       32.48933 93.92393 6.097888 84.91951 3.919222 9.004417       7.248761 
1 1 1 -23 4  2  o 99.48543 2.883965 486.7339       28.05415 472.5401       40.54389 499.7725       38.85886 97.74725 4.247688 100.5987 3.954015 -2.851402      5.803196 
1 1 1 -23 4  3  o 35.15278 3.835584 61.61579       12.98382 58.11435       19.97038 64.17954       17.08840 33.61924 6.300081 35.65577 5.036345 -2.036522      8.065717 
1 1 1 -23 4  4  o 119.4111 3.089059 701.5950       36.07551 671.8025       51.01297 731.4003       51.02398 116.5029 4.481760 121.6234 4.292719 -5.120552      6.205933 
1 1 1 -23 4  5  o 82.19635 2.885408 332.4424       23.17885 311.4930       33.46408 351.7618       32.13593 79.29259 4.328026 84.36929 3.901916 -5.076706      5.827243 
1 1 1 -23 4  6  o 74.88593 2.853418 275.9992       20.87741 274.2952       30.33227 277.5332       28.77915 74.41655 4.180990 74.90569 3.938999 -0.4891434     5.744248 
1 1 1 -23 4  7  o 77.41821 2.884847 295.0251       21.82287 275.6345       31.40565 313.1294       30.34603 74.55820 4.321869 79.57420 3.907992 -5.015999      5.826745 
1 1 1 -23 4  8  o 22.83104 5.512665 26.95300       12.17888 36.68364       17.36146 17.52555       17.08884 26.54803 6.685913 19.88228 7.032153 6.665754       9.703226 
1 1 1 -23 4  9  o 77.33238 3.543861 295.3587       26.75397 309.0753       32.82194 268.2000       46.18442 78.95373 4.262838 72.88192 6.543529 6.071808       7.809581 
1 1 1 -23 4  10 o 30.60303 4.520347 47.34479       13.13372 47.10022       18.34864 47.60175       18.80763 30.11496 6.420872 30.25481 6.541696 -0.1398468     9.166318 
1 1 1 -23 4  11 o 29.33166 4.703295 43.70325       13.04725 35.79290       18.21021 52.04739       18.70285 26.19261 6.977819 31.71235 6.247557 -5.519745      9.365998 
1 1 1 -23 4  12 o 37.51970 3.873147 70.27797       14.02005 58.62547       19.62618 82.42077       20.03483 33.70506 6.176409 40.37529 5.189334 -6.670227      8.067045 
1 1 1 -23 4  13 o 69.63029 2.995358 239.1579       20.36743 237.9555       29.21072 240.2957       28.41360 69.15949 4.336866 69.53640 4.194029 -0.3769073     6.033099 
1 1 1 -23 4  14 o 60.40778 3.120020 180.2996       18.38579 149.2749       25.66395 213.0117       26.35260 54.56630 4.855654 65.44926 4.134642 -10.88295      6.377511 
1 1 1 -23 4  15 o 20.34852 6.052881 21.14063       12.94377 20.29668       17.84688 22.07721       18.80087 20.82531 7.198884 21.56896 7.391393 -0.7436523     10.31778 
1 1 1 -23 4  16 o 41.43792 3.864810 85.73748       15.49512 88.69053       21.85723 82.75388       21.97001 41.74687 5.481185 40.22812 5.742260 1.518753       7.938322 
1 1 1 -23 4  17 o 74.34018 3.052884 273.0313       22.16742 281.6529       31.76329 264.8448       30.95140 75.15252 4.336345 72.86093 4.359837 2.291588       6.149152 
1 1 1 -23 4  18 o 40.74975 4.322967 83.50311       16.98028 83.11061       21.86153 84.10000       26.95938 40.26293 5.706868 40.02337 7.143721 0.2395554      9.143363 
1 1 1 -23 4  19 o 40.24308 7.890992 86.45282       29.97207 43.62000       43.57891 124.9000       41.28765 30.13800 11.14939 47.99405 9.122102 -17.85605      14.40561 
1 1 1 -23 4  20 o 42.35522 4.722381 90.82245       19.24562 99.37030       21.84167 61.14000       40.70120 44.19371 5.145273 33.38915 10.86449 10.80456       12.02127 
1 1 1 -23 4  21 o 50.87660 4.336470 130.0932       21.38973 128.4250       24.63704 135.2000       43.10487 50.30692 5.072473 49.76500 9.187411 0.5419159      10.49469 
1 1 1 -23 4  22 o 39.40257 4.307662 78.42455       16.34356 98.98009       22.44787 55.23726       23.84161 43.98945 5.321428 31.95113 7.711968 12.03833       9.369740 
1 1 1 -23 4  23 o 56.23311 3.541184 157.6594       19.39259 135.2820       26.35426 184.0840       28.63845 51.47597 5.306410 60.29539 4.894481 -8.819420      7.218998 
1 1 1 -23 4  24 o 71.24629 3.591878 253.0238       24.96817 244.0000       38.59215 259.5202       32.74468 68.98386 5.768137 71.70323 4.691238 -2.719376      7.434993 
1 1 1 -23 4  25 o 40.05413 4.805224 81.92982       18.46375 92.65000       27.95360 73.63319       24.59167 41.68237 7.106021 37.09510 7.029992 4.587269       9.995815 
1 1 1 -23 4  26 o 47.30672 5.295752 114.9204       24.10171 162.8000       56.59390 104.3128       26.63809 52.59563 11.32795 44.63084 6.270325 7.964787       12.94756 
1 1 1 -23 4  27 o 69.78082 4.361930 245.7248       29.64445 168.0000       57.03925 274.4883       34.69880 53.23696 11.29614 73.50905 4.849537 -20.27209      12.29312 
1 1 1 -23 4  28 o 78.40508 4.835238 312.6044       36.92754 0.000000       0.000000 312.6044       36.92754 ?        ?        78.40508 4.835238 ?              ?        
1 1 1 -23 4  29 o 46.47871 5.617041 112.4462       25.03681 122.8342       29.45658 85.41000       47.52143 48.19261 6.402738 37.20375 11.70208 10.98885       13.33918 
1 1 1 -23 4  30 o 29.30741 6.735575 46.98218       18.91667 54.33465       25.79785 38.43129       27.82098 30.89872 8.338119 26.42867 8.992856 4.470051       12.26359 
1 1 1 -23 4  31 f 18.25638 7.370956 10.91710       20.33404 -7.013145      24.63587 49.24000       36.01671 16.28251 7.335426 29.12678 10.21683 -12.84427      12.57744 
1 1 1 -23 4  32 f 12.51947 5.936411 -20.00991      19.52011 -8.874216      23.63406 -43.91000      34.62418 15.59186 7.088291 15.48767 7.489854 0.1041918      10.31221 
1 1 1 -23 4  33 o 26.26181 7.797211 39.61170       21.49505 38.07027       26.07580 42.88000       37.96971 25.75155 8.706808 27.34532 10.34711 -1.593769      13.52299 
1 1 1 -23 4  34 o 19.18150 7.330513 16.66157       19.17513 28.32189       26.25220 3.325883       28.07491 23.20017 8.640218 18.63428 8.138883 4.565887       11.86991 
1 1 1 -23 4  35 o 44.46411 5.086768 104.1491       21.74100 106.1664       30.13482 101.9593       31.39684 43.31712 7.371031 42.00074 7.927549 1.316380       10.82488 
1 1 1 -23 4  36 o 29.35735 7.179776 49.51278       20.45770 23.14018       27.99652 79.72844       29.96702 22.06852 8.736045 36.44178 8.549483 -14.37327      12.22343 
1 1 1 -23 4  37 o 34.19133 6.620284 65.54359       21.35567 88.59540       29.81216 41.24706       30.60646 38.73011 8.123674 26.19479 9.395370 12.53532       12.42043 
1 1 1 -23 4  38 o 59.35233 4.367226 182.5949       25.19404 190.7968       35.69168 174.4496       35.56814 58.98742 6.277942 56.07045 6.607408 2.916969       9.114296 
1 1 1 -23 4  39 o 17.58817 7.378872 8.888139       21.43196 -20.91496      30.04665 39.75690       30.57911 15.77782 7.446601 25.57627 9.360316 -9.798443      11.96108 
1 1 1 -23 4  40 o 26.98869 8.163224 44.53261       23.39657 62.65837       32.43476 24.87001       33.78183 30.82640 9.663718 22.71193 9.373816 8.114470       13.46313 
1 1 1 -23 4  41 o 21.17790 8.456216 22.36063       26.45122 28.77419       32.32221 9.356000       46.02573 23.08240 9.302464 22.04590 9.970271 1.036501       13.63606 
1 1 1 -23 4  42 o 20.84368 8.125181 22.91819       23.89882 20.89518       34.09117 24.87309       33.51233 21.72104 9.219227 22.30465 9.282555 -0.5836029     13.08281 
1 1 1 -23 4  43 o 31.95550 8.846837 66.55640       28.61516 46.11000       48.75426 77.30124       35.34306 26.25322 11.07831 33.20687 10.03083 -6.953644      14.94478 
1 1 1 -23 4  44 o 15.66726 7.173794 -6.478997      24.77238 -52.89941      36.38090 33.64902       33.82539 14.67220 7.218903 23.78040 9.539749 -9.108197      11.96325 
1 1 1 -23 4  45 o 48.81089 5.824594 132.4744       27.27992 139.6670       40.59266 126.5505       36.83916 46.19341 9.299768 44.57298 8.756192 1.620434       12.77328 
1 1 1 -23 4  46 o 16.68930 7.445379 1.306697       24.70976 -18.14452      36.03090 18.57758       33.95150 17.12003 8.102356 21.07501 9.078107 -3.954975      12.16800 
1 1 1 -23 4  47 o 16.43376 7.609452 -8.591842      28.99358 -58.70000      55.61375 10.11038       33.97618 18.08520 8.903449 19.84070 8.797899 -1.755497      12.51697 
1 1 1 -23 4  48 o 17.75193 8.015203 1.324957       29.60260 -47.23000      56.35977 19.82380       34.78762 18.69008 9.152660 21.22168 9.165530 -2.531595      12.95292 
1 1 1 -23 4  49 o 17.42887 7.968609 -2.374035      30.41657 -15.99000      56.16137 3.277577       36.18259 20.48081 9.810187 19.22101 8.750735 1.259798       13.14592 
1 1 1 -23 4  50 o 45.46320 7.723292 127.6217       33.14082 105.2904       41.62255 166.3000       54.77789 36.96656 10.81734 44.85953 12.16911 -7.892963      16.28196 
1 1 1 -23 4  51 o 23.31232 8.809468 36.19585       27.50216 8.299792       38.99110 63.81557       38.79749 19.81839 9.046273 28.22218 10.50505 -8.403788      13.86330 
1 1 1 -23 4  52 o 29.48523 9.028389 62.04712       28.50115 107.3115       40.98373 19.65486       39.66217 36.68269 10.73394 20.99270 9.394225 15.68999       14.26425 
1 1 1 -23 5  1  o 81.23604 2.811629 324.6430       22.32327 292.1090       32.37944 354.1151       30.81812 76.77834 4.325983 84.68678 3.726913 -7.908447      5.709992 
1 1 1 -23 5  2  o 82.63818 3.836081 337.4050       30.94483 304.2000       43.73300 370.7000       43.79226 77.98643 5.769935 86.29334 5.208836 -8.306908      7.773295 
1 1 1 -23 5  3  o 87.84743 2.863461 379.6562       24.58928 359.0361       35.72630 398.2164       33.89493 85.14699 4.300520 89.78230 3.865954 -4.635315      5.782739 
1 1 1 -23 5  4  o 85.41404 2.848270 358.9349       23.77983 353.6229       35.13958 363.4228       32.29920 84.50503 4.261988 85.76064 3.857542 -1.255615      5.748493 
1 1 1 -23 5  5  o 70.91801 2.887391 247.6205       20.00135 219.8593       28.97333 272.8957       27.64571 66.53170 4.475041 74.29481 3.814340 -7.763107      5.880066 
1 1 1 -23 5  6  o 36.32539 3.957471 65.86986       13.84405 64.55350       21.00125 66.88145       18.41045 35.45026 6.282240 36.32356 5.337129 -0.8733063     8.243270 
1 1 1 -23 5  7  o 33.52385 4.216952 56.38622       13.53209 51.64083       19.75052 60.58479       18.57779 31.54724 6.608055 34.44377 5.710211 -2.896536      8.733435 
1 1 1 -23 5  8  o 51.94551 3.191894 133.3118       16.15104 114.7714       23.22011 150.6889       22.47990 47.83237 5.034900 55.05908 4.202948 -7.226715      6.558581 
1 1 1 -23 5  9  o 93.81628 2.943209 433.3647       26.99404 407.4197       38.48989 458.4786       37.86838 90.63667 4.351178 96.24907 4.028424 -5.612396      5.929667 
1 1 1 -23 5  10 o 106.7457 3.025249 561.2374       31.57763 540.9440       45.03082 580.8714       44.29335 104.4211 4.415671 108.2856 4.186785 -3.864479      6.085008 
1 1 1 -23 5  11 o 80.82725 2.943163 321.9236       23.24623 306.4929       33.41326 336.3987       32.36220 78.54277 4.363316 82.38609 4.025266 -3.843315      5.936437 
1 1 1 -23 5  12 o 82.62430 2.959476 336.4847       23.89609 322.2920       34.46286 349.6270       33.16296 80.51939 4.389247 83.96965 4.046738 -3.450264      5.970057 
1 1 1 -23 5  13 f 25.93020 5.376836 34.75763       13.19882 26.94420       18.38946 43.05931       18.95531 23.11040 7.280931 28.64322 6.852857 -5.532820      9.998680 
1 1 1 -23 5  14 o 64.94640 3.053534 208.3061       19.35737 199.3449       27.64714 216.9236       27.11162 63.19800 4.498726 66.01419 4.217836 -2.816189      6.166739 
1 1 1 -23 5  15 o 41.15606 3.749635 84.47078       14.93959 76.28331       20.93723 92.96323       21.32360 38.61134 5.711975 42.84546 5.190205 -4.234112      7.717829 
1 1 1 -23 5  16 o 14.49715 5.760209 5.852994       12.21441 4.832746       16.55864 7.070725       18.09037 16.00002 6.578990 17.12925 6.939241 -1.129227      9.562226 
1 1 1 -23 5  17 f 49.02514 3.994206 120.0120       19.00112 137.5004       24.82000 95.25000       29.53380 52.24471 4.911074 42.60439 7.347367 9.640320       8.837559 
1 1 1 -23 5  18 o 70.40816 5.333662 250.3101       36.48481 287.1000       56.75591 224.4000       47.63013 74.10471 7.948613 65.64061 7.550519 8.464104       10.96316 
1 1 1 -23 5  19 o 42.11223 4.886059 89.94682       19.76724 112.3423       22.85568 23.47000       39.37757 47.07290 5.038695 25.80883 10.31347 21.26407       11.47851 
1 1 1 -23 5  20 o 74.52504 3.778102 276.5266       27.47027 290.4685       32.80381 243.8000       50.25902 76.14916 4.420013 68.18055 7.663440 7.968613       8.846741 
1 1 1 -23 5  21 o 27.29076 5.623873 38.97803       14.52315 41.31607       19.07920 35.75684       22.39452 27.79526 7.013775 25.99591 8.010864 1.799351       10.64739 
1 1 1 -23 5  22 o 73.65896 3.219527 269.1766       23.15654 270.9908       32.56745 267.3215       32.93217 73.41505 4.554454 72.87768 4.640681 0.5373764      6.502228 
1 1 1 -23 5  23 o 64.26738 3.660472 206.0542       22.93159 211.7000       35.02303 201.8174       30.33925 64.33379 5.618015 63.10855 4.951071 1.225235       7.488338 
1 1 1 -23 5  24 o 52.71952 4.050918 139.6194       20.74391 175.4000       32.47129 114.9481       26.96323 58.40393 5.754719 47.08027 5.986120 11.32366       8.303639 
1 1 1 -23 5  25 o 72.57488 3.303099 262.0171       23.40314 240.0298       33.02486 284.1977       33.16969 68.77036 4.938958 75.06213 4.535713 -6.291763      6.705669 
1 1 1 -23 5  26 o 23.48022 6.785617 29.44103       16.47026 17.16323       22.67803 43.14584       23.95972 20.65996 7.952569 28.03443 8.208253 -7.374462      11.42886 
1 1 1 -23 5  27 o 51.35607 5.247609 135.5239       26.00868 75.95000       53.81812 153.6770       29.70820 35.55255 12.48761 54.51845 5.648823 -18.96590      13.70582 
1 1 1 -23 5  28 o 62.75060 4.670337 200.1765       28.48046 202.0000       58.71846 199.6155       32.56789 58.87031 10.57878 62.27901 5.395644 -3.408703      11.87533 
1 1 1 -23 5  29 o 70.78070 5.209196 257.4427       35.83757 0.000000       0.000000 257.4427       35.83757 ?        ?        70.78070 5.209196 ?              ?        
1 1 1 -23 5  30 o 38.33266 6.613157 79.27861       23.91702 71.68438       27.73609 101.3000       47.23084 35.60862 8.136115 40.12130 11.45855 -4.512680      14.05328 
1 1 1 -23 5  31 o 17.01210 6.935307 8.413977       18.20390 -0.5986494     24.25801 20.03196       27.54195 17.14077 7.523869 21.87874 8.663593 -4.737967      11.47460 
1 1 1 -23 5  32 o 13.57303 6.297431 -13.38875      20.00778 6.367923       24.15502 -56.57000      35.71068 18.24917 7.753528 14.86747 7.281711 3.381699       10.63675 
1 1 1 -23 5  33 o 40.96964 6.069049 90.59149       23.60321 89.58546       28.82207 92.64000       41.12806 39.66750 7.700820 37.95556 10.64284 1.711937       13.13669 
1 1 1 -23 5  34 o 58.46256 4.765241 177.5009       27.03267 145.9797       32.47681 248.6000       48.77582 51.68052 6.568255 66.44498 7.638341 -14.76446      10.07404 
1 1 1 -23 5  35 o 17.95307 7.211323 12.03598       19.35470 20.21025       26.79961 3.124493       27.98202 21.31461 8.511415 18.46741 8.094223 2.847191       11.74566 
1 1 1 -23 5  36 o 16.49685 7.002026 5.358012       19.66599 7.812337       27.54921 2.807793       28.08225 19.06657 8.194798 18.38873 8.082674 0.6778374      11.51018 
1 1 1 -23 5  37 o 17.81869 7.344394 10.32237       20.70073 10.16609       28.94698 10.48595       29.61494 19.72168 8.436706 19.91604 8.526983 -0.1943645     11.99531 
1 1 1 -23 5  38 o 51.92809 5.921740 146.6572       29.56209 67.57000       54.89210 178.9660       35.08461 30.63466 12.19843 56.94254 6.405663 -26.30789      13.77803 
1 1 1 -23 5  39 o 15.55823 6.922620 -1.520786      21.21763 5.292634       29.45660 -8.867602      30.58789 18.86905 8.286458 17.23833 7.922129 1.630722       11.46410 
1 1 1 -23 5  40 f 12.48986 6.099440 -36.86180      24.52159 -50.94176      29.89260 -7.893000      42.87737 13.17885 6.495627 19.96091 9.246514 -6.782064      11.30005 
1 1 1 -23 5  41 o 15.45558 6.968215 -3.493094      22.27985 38.99762       31.97752 -43.57907      31.05947 25.04941 9.491677 13.97040 6.831483 11.07901       11.69449 
1 1 1 -23 5  42 o 54.91508 5.730197 165.6846       30.34850 207.6000       51.23454 143.0281       37.66795 56.50210 9.607460 48.34950 8.255417 8.152599       12.66709 
1 1 1 -23 5  43 o 27.14013 9.063231 48.68401       28.26003 62.70000       46.83234 40.65786       35.43950 28.69196 11.31736 25.09237 9.861036 3.599588       15.01075 
1 1 1 -23 5  44 o 19.16979 7.943128 15.18285       24.38762 9.532203       35.19609 20.40133       33.82345 20.13767 8.940658 21.50497 9.157248 -1.367294      12.79807 
1 1 1 -23 5  45 o 11.96284 5.863359 -36.24667      23.28273 -41.87392      33.82837 -31.18177      32.09359 14.69675 7.174319 15.06073 7.265533 -0.3639765     10.21072 
1 1 1 -23 5  46 o 21.92789 8.374731 28.06296       25.01671 27.07842       35.77093 29.00549       34.99963 22.57738 9.506115 22.82707 9.492011 -0.2496891     13.43371 
1 1 1 -23 5  47 o 17.19482 7.616910 3.581137       25.40316 -18.79097      36.55697 24.47153       35.32565 17.15196 8.130371 22.09575 9.381720 -4.943785      12.41449 
1 1 1 -23 5  48 o 20.68989 8.752579 19.83818       30.55743 78.57000       57.37766 -3.415009      36.10333 29.63623 12.22256 18.47125 8.531156 11.16499       14.90543 
1 1 1 -23 5  49 f 24.20433 9.294494 38.40907       30.92536 -8.870000      56.73424 58.39525       36.88719 21.01618 10.00960 28.04625 10.27791 -7.030067      14.34669 
1 1 1 -23 5  50 o 45.95539 6.660838 123.8881       29.08964 197.9894       42.64140 59.38205       39.78493 56.35497 7.950912 27.59802 10.55607 28.75695       13.21543 
1 1 1 -23 5  51 o 14.23868 6.900173 -29.88888      29.77699 5.484212       37.49007 -90.34000      49.00968 19.25966 8.821123 15.09392 7.576735 4.165737       11.62838 
1 1 1 -23 5  52 f 21.25948 8.973007 26.01614       31.99598 30.80398       39.03965 16.22000       55.84234 22.39391 9.690714 21.95424 10.29585 0.4396667      14.13911 
1 1 1 -23 6  1  o 110.8080 3.437710 605.2441       37.24095 645.8000       71.08049 589.8995       43.72218 113.4699 6.426022 109.2290 4.096642 4.240944       7.620776 
1 1 1 -23 6  2  o 39.20971 4.744925 77.20473       17.84080 54.20000       25.91187 97.94000       24.60057 32.10695 8.212934 43.97105 5.861609 -11.86410      10.09013 
1 1 1 -23 6  3  o 117.7299 4.487979 686.5927       51.62356 704.1000       77.45563 672.6000       69.24577 118.3531 6.713546 115.9243 6.124292 2.428719       9.087280 
1 1 1 -23 6  4  o 95.34790 2.883151 447.3386       26.87729 425.0910       39.00985 467.4434       37.08372 92.63502 4.314070 97.25359 3.903505 -4.618568      5.817951 
1 1 1 -23 6  5  o 66.75628 2.878698 219.4972       18.76604 236.2644       28.84945 207.1988       24.70770 69.00220 4.292641 64.67766 3.921180 4.324539       5.813985 
1 1 1 -23 6  6  o 98.71585 2.941486 479.6551       28.39064 460.1490       41.31675 497.1042       39.07762 96.34793 4.392599 100.2592 3.989933 -3.911316      5.934179 
1 1 1 -23 6  7  o 76.24194 2.882884 286.2462       21.47554 255.8883       30.89816 314.6173       29.86994 71.77586 4.419357 79.75153 3.837652 -7.975662      5.853058 
1 1 1 -23 6  8  o 33.64711 4.158587 56.79893       13.40499 60.36086       20.10183 53.94650       17.98873 34.22913 6.229163 32.39494 5.889955 1.834198       8.572866 
1 1 1 -23 6  9  o 14.49764 5.616640 6.818889       11.36538 5.111235       16.49582 8.362058       15.68124 16.11366 6.589425 16.66886 6.556811 -0.5552044     9.295821 
1 1 1 -23 6  10 o 25.08958 5.377648 32.53265       12.80968 21.97171       18.61513 42.03149       17.65429 21.56501 7.355703 28.38283 6.495445 -6.817825      9.813112 
1 1 1 -23 6  11 o 79.74928 2.930803 313.4573       22.83916 305.6828       33.11429 320.5110       31.54195 78.42844 4.330367 80.39676 4.020910 -1.968323      5.909297 
1 1 1 -23 6  12 o 61.16748 3.085647 184.7820       18.41484 163.5705       26.19218 205.5156       25.89540 57.18496 4.721360 64.29203 4.136854 -7.107071      6.277324 
1 1 1 -23 6  13 o 84.52074 2.957774 352.2794       24.43231 337.0505       35.28181 366.3111       33.86665 82.29611 4.395860 85.91270 4.038554 -3.616585      5.969381 
1 1 1 -23 6  14 o 77.06293 2.974587 293.0466       22.39557 281.8401       32.04033 303.7523       31.31631 75.21584 4.370754 78.17322 4.107075 -2.957382      5.997629 
1 1 1 -23 6  15 o 26.81610 5.753093 37.42879       14.64842 29.45435       18.39269 51.26000       24.22286 23.89826 7.239813 31.01082 7.945083 -7.112558      10.74892 
1 1 1 -23 6  16 o 68.73962 3.955544 235.0597       26.50219 173.7000       52.73786 255.7902       30.65391 56.65477 9.868404 71.58248 4.396153 -14.92771      10.80331 
1 1 1 -23 6  17 o 80.38248 3.728767 320.8495       29.25822 327.6455       35.47766 306.4000       51.73146 80.96930 4.494024 77.20677 6.918575 3.762527       8.250027 
1 1 1 -23 6  18 o 60.99000 3.913762 185.4698       23.24134 193.6203       27.40649 164.6000       43.85496 62.12683 4.538097 55.68530 8.298932 6.441525       9.458679 
1 1 1 -23 6  19 o 49.64072 4.449547 123.9591       21.39114 142.4943       25.29239 77.39000       40.09034 53.09484 4.922718 37.09819 10.54438 15.99665       11.63688 
1 1 1 -23 6  20 o 14.15858 5.874223 3.166497       13.36177 18.47231       17.35816 -19.09203      20.93262 19.99472 7.085887 13.50658 6.324357 6.488146       9.497752 
1 1 1 -23 6  21 o 40.26389 4.204974 81.73358       16.32838 104.6341       22.63722 56.89658       23.57493 45.28794 5.200912 32.47997 7.557831 12.80798       9.174437 
1 1 1 -23 6  22 o 14.89921 6.140249 4.279076       14.46670 4.369000       19.73600 4.174653       21.26777 16.93826 7.091856 17.43202 7.334229 -0.4937572     10.20222 
1 1 1 -23 6  23 o 111.3429 3.635196 617.2943       39.56527 584.8000       63.06702 638.3831       50.80708 106.7605 6.060000 112.6438 4.617772 -5.883286      7.618886 
1 1 1 -23 6  24 f 31.57831 5.524382 52.03381       16.45414 43.45270       22.21342 62.46608       24.49249 28.22787 7.786889 33.90012 7.572474 -5.672251      10.86177 
1 1 1 -23 6  25 o 82.78976 4.000759 343.4120       32.32494 409.7000       68.43135 324.3726       36.67453 87.45645 8.085375 80.10577 4.697916 7.350685       9.351133 
1 1 1 -23 6  26 f 48.34468 4.513772 118.6115       21.11279 121.6022       26.14041 113.0000       35.80644 48.49821 5.609874 45.31364 8.381470 3.184566       10.08562 
1 1 1 -23 6  27 o 40.06813 4.863885 82.40636       18.68586 62.12384       25.15259 107.3873       27.91426 33.53837 7.808358 45.05539 6.518778 -11.51702      10.17177 
1 1 1 -23 6  28 o 57.68953 4.932362 170.1936       27.58516 252.6000       60.04584 148.1493       31.05637 66.93439 9.425583 53.21351 6.070893 13.72087       11.21148 
1 1 1 -23 6  29 o 57.03621 5.176650 167.7248       28.58606 139.3000       59.32532 176.3202       32.62309 46.32283 12.70467 58.11432 5.812962 -11.79148      13.97137 
1 1 1 -23 6  30 o 43.52190 6.431681 101.4650       26.57501 70.70000       52.85134 111.8756       30.74431 33.60624 12.30463 45.28350 7.175057 -11.67726      14.24379 
1 1 1 -23 6  31 o 44.63441 5.065910 103.6904       21.74164 113.3452       29.81673 92.72859       31.77087 45.60051 6.895206 40.23784 8.340714 5.362667       10.82180 
1 1 1 -23 6  32 o 19.66520 7.719079 16.11264       21.69358 21.86242       25.09999 -0.8632000     43.12842 21.66348 8.359189 21.62212 9.726333 0.4136086E-01  12.82488 
1 1 1 -23 6  33 o 32.01027 7.434040 58.50751       22.84539 43.48198       27.53230 91.72000       40.93345 27.13338 8.941972 37.70321 10.63377 -10.56983      13.89373 
1 1 1 -23 6  34 o 16.71898 7.227441 2.929567       21.67023 -2.899296      25.71789 17.20000       40.24037 16.97598 7.582975 23.10035 9.915921 -6.124378      12.48307 
1 1 1 -23 6  35 o 42.98862 6.052471 100.3844       24.76371 85.76681       29.78664 133.1000       44.56153 38.14362 8.220563 45.78934 10.20345 -7.645729      13.10298 
1 1 1 -23 6  36 o 51.14735 4.726837 136.7261       23.39704 175.5940       33.39799 99.26660       32.78728 56.87103 6.094550 40.75554 8.494672 16.11549       10.45481 
1 1 1 -23 6  37 o 40.10767 6.003197 87.92208       22.84400 84.31874       32.42773 91.47195       32.18621 36.90091 9.048371 38.81877 8.687939 -1.917862      12.54405 
1 1 1 -23 6  38 o 20.04057 7.758867 19.40405       21.67749 34.76261       30.25340 3.198532       31.07637 24.47956 9.242043 18.97290 8.413537 5.506666       12.49812 
1 1 1 -23 6  39 o 19.47822 8.078192 14.25555       25.25567 8.731455       31.03329 25.09000       43.46107 19.68476 8.578033 23.86604 10.27562 -4.181271      13.38548 
1 1 1 -23 6  40 o 16.76824 7.287724 3.930484       22.27469 -8.768647      31.52136 16.59714       31.48103 17.40261 8.013805 20.94203 8.872675 -3.539427      11.95598 
1 1 1 -23 6  41 o 25.01533 8.647924 39.02305       25.75484 57.13000       43.16567 29.01394       32.09323 28.33101 10.95409 23.00268 9.269766 5.328337       14.34993 
1 1 1 -23 6  42 o 45.71471 6.790359 120.1357       29.46303 149.6000       50.63032 105.0492       36.22907 45.11425 11.44838 39.98899 9.413071 5.125256       14.82131 
1 1 1 -23 6  43 o 14.65731 6.814096 -11.34756      23.60607 -30.66524      34.24141 6.149545       32.58797 15.70257 7.557365 19.20795 8.560860 -3.505381      11.41937 
1 1 1 -23 6  44 o 16.76613 7.404599 2.786986       23.83179 17.77594       35.47152 -9.545837      32.17551 21.28197 9.223329 17.18994 7.979133 4.092031       12.19575 
1 1 1 -23 6  45 o 36.30666 7.480545 79.52198       25.69946 84.26628       37.36271 75.26177       35.40528 34.19763 10.30982 32.49309 10.08282 1.704536       14.42067 
1 1 1 -23 6  46 o 13.39847 6.434294 -24.66569      24.50832 -42.39108      36.27462 -9.778885      33.24342 15.24055 7.437468 17.31445 8.061842 -2.073900      10.96856 
1 1 1 -23 6  47 o 18.09676 7.841263 8.848658       25.62672 -13.80581      37.16955 29.37417       35.37996 17.72618 8.340304 22.86383 9.528275 -5.137651      12.66289 
1 1 1 -23 6  48 o 39.91146 7.169528 95.21804       26.97940 87.61804       39.14164 102.0970       37.23871 34.07015 10.60622 38.11901 9.894947 -4.048859      14.50524 
1 1 1 -23 6  49 o 33.82561 9.306649 78.58429       31.77718 116.6000       60.91480 64.37090       37.24689 34.39183 13.08429 29.19739 10.37652 5.194441       16.69943 
1 1 1 -23 6  50 o 14.54430 7.014290 -27.50325      29.85822 -93.90000      55.86925 -0.9573764     35.32629 16.25686 8.150511 18.36664 8.467094 -2.109779      11.75255 
1 1 1 -23 6  51 o 16.94785 7.890026 -6.113171      31.82361 -29.71046      38.18475 47.55000       57.58337 16.17169 7.831427 24.90542 11.21792 -8.733728      13.68111 
1 1 1 -23 6  52 o 16.67317 7.693696 -2.689463      29.26676 -38.72970      37.33477 54.76000       47.13708 15.24650 7.462757 25.48852 10.83034 -10.24202      13.15252 
1 1 1 -23 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 7  2  o 65.40152 2.874703 210.7085       18.35798 199.6634       28.26959 218.7628       24.14075 63.33918 4.590908 66.49785 3.723705 -3.158669      5.911211 
1 1 1 -23 7  3  o 51.25563 3.095061 129.7325       15.45570 114.5584       23.74659 140.8848       20.35793 47.75891 5.161644 53.28046 3.931232 -5.521549      6.488232 
1 1 1 -23 7  4  o 57.38890 3.652106 163.0519       20.40884 136.5908       25.58976 209.3000       33.83054 52.21379 5.070745 64.64845 5.395340 -12.43466      7.404198 
1 1 1 -23 7  5  o 143.1235 3.391042 1009.209       47.50621 936.4003       66.50478 1085.071       67.88432 137.2631 4.958005 147.8858 4.695563 -10.62270      6.828626 
1 1 1 -23 7  6  o 26.31276 5.115112 35.54174       12.69967 54.95728       20.11096 22.66441       16.37838 32.55398 6.538611 21.43357 6.885087 11.12041       9.495150 
1 1 1 -23 7  7  o 15.03014 5.722466 8.017307       11.65714 9.791530       18.37758 6.822852       15.07889 18.00504 7.093354 16.01036 6.387388 1.994678       9.545385 
1 1 1 -23 7  8  o 24.23869 5.386620 30.39108       12.44845 9.683263       18.83261 46.45976       16.58950 18.12186 7.167776 30.00041 5.859632 -11.87855      9.258094 
1 1 1 -23 7  9  o 33.28183 4.235744 55.69105       13.48665 53.40429       20.71222 57.37429       17.77007 31.98199 6.824336 33.47019 5.623264 -1.488201      8.842661 
1 1 1 -23 7  10 o 51.44611 3.235309 130.9468       16.20951 138.9491       24.48160 124.7002       21.62979 52.66909 4.801471 49.95170 4.471034 2.717388       6.560813 
1 1 1 -23 7  11 o 21.25596 5.732009 23.38398       12.19671 29.86749       17.71440 17.54002       16.81800 24.04877 7.062398 19.75101 6.977074 4.297768       9.927589 
1 1 1 -23 7  12 o 68.91690 2.961798 234.3617       19.93299 248.0636       29.71477 223.1517       26.87734 70.58721 4.321420 66.98880 4.118915 3.598412       5.969936 
1 1 1 -23 7  13 o 21.15997 5.917743 23.15556       12.73330 40.87548       18.15480 5.998886       17.86394 27.88394 6.729270 16.80351 6.862683 11.08043       9.611425 
1 1 1 -23 7  14 o 37.02729 4.580140 69.19862       16.24639 66.22439       20.90907 73.73000       25.80847 35.77581 6.195161 37.45144 7.302671 -1.675629      9.576483 
1 1 1 -23 7  15 o 49.37238 4.436941 122.1873       21.21398 143.0000       47.70419 117.0569       23.68476 51.32219 9.854252 48.13261 5.104909 3.189583       11.09803 
1 1 1 -23 7  16 o 26.28826 6.521286 36.43259       16.69902 46.36903       19.23886 6.076000       33.62718 29.62681 6.781080 21.70089 9.181047 7.925926       11.41379 
1 1 1 -23 7  17 o 31.23330 5.813118 50.70596       17.11803 47.50518       19.49979 61.46000       35.74278 29.95149 6.806373 33.49234 10.08089 -3.540846      12.16351 
1 1 1 -23 7  18 o 33.96903 5.505368 59.53302       17.67922 55.34612       20.12604 73.68000       36.99509 32.40443 6.570356 36.36102 10.05635 -3.956593      12.01249 
1 1 1 -23 7  19 o 24.90937 5.848366 32.64784       14.01410 36.31142       18.56529 27.79531       21.36648 26.11321 7.084760 23.52641 7.881092 2.586807       10.59743 
1 1 1 -23 7  20 f 31.32610 4.943018 50.40891       14.65468 44.12204       19.71216 58.17700       21.91159 28.70564 7.064256 33.04506 6.992691 -4.339415      9.939891 
1 1 1 -23 7  21 o 67.08629 3.524166 223.9925       23.06059 240.9000       36.49909 212.7589       29.75096 68.79405 5.465206 64.95305 4.711484 3.841003       7.215716 
1 1 1 -23 7  22 o 68.25823 3.557894 232.1309       23.68932 272.4000       37.89598 206.3020       30.35017 73.17973 5.326972 63.83155 4.894923 9.348179       7.234425 
1 1 1 -23 7  23 o 34.00024 5.104174 59.59583       16.46286 55.47822       22.18920 64.63786       24.55400 32.05032 7.243948 34.56022 7.476087 -2.509895      10.40993 
1 1 1 -23 7  24 o 62.02816 4.527126 194.3504       27.29713 223.1000       61.16698 187.2007       30.50309 62.74614 10.31748 60.57456 5.194656 2.171585       11.55140 
1 1 1 -23 7  25 o 24.77374 6.576634 32.93896       16.21225 19.11321       21.01754 53.25153       25.47534 20.79422 7.733508 31.00722 8.249891 -10.21300      11.30787 
1 1 1 -23 7  26 o 15.68587 6.436048 5.607968       15.80338 11.54724       20.27886 -3.577482      25.21895 18.62739 7.415273 17.23587 7.614329 1.391514       10.62847 
1 1 1 -23 7  27 o 58.75140 3.713348 173.1525       21.24529 138.1422       28.68873 215.6683       31.61467 51.54653 5.785738 64.97042 5.009933 -13.42389      7.653378 
1 1 1 -23 7  28 o 38.26200 5.158747 75.90231       18.82870 51.72526       25.09611 107.0371       28.47919 30.32745 8.240952 44.77103 6.704706 -14.44358      10.62386 
1 1 1 -23 7  29 o 53.84323 5.392096 150.4959       28.03613 133.5000       58.16106 155.6406       31.99932 45.16434 12.65337 54.32619 6.124227 -9.161842      14.05752 
1 1 1 -23 7  30 o 42.17551 6.712126 96.32832       26.78167 94.64000       54.51031 96.86553       30.74880 37.67434 12.58753 41.60133 7.838643 -3.926998      14.82870 
1 1 1 -23 7  31 o 19.17113 8.001029 9.836514       25.00047 -14.67000      52.33234 17.08329       28.45783 22.16659 10.24965 21.36336 8.685429 0.8032322      13.43473 
1 1 1 -23 7  32 o 21.11748 7.714509 22.57444       20.75698 37.63000       29.97356 8.700935       28.77286 25.78548 9.291569 19.74869 8.428782 6.036797       12.54502 
1 1 1 -23 7  33 o 63.80517 6.299158 219.6786       38.82824 256.5000       60.64595 194.1000       50.54633 64.98866 9.841300 56.91764 9.400584 8.071018       13.60964 
1 1 1 -23 7  34 o 11.65399 5.686891 -33.88781      21.19964 -29.72581      25.17643 -44.03000      39.30150 13.52307 6.501184 16.53468 7.992188 -3.011609      10.30245 
1 1 1 -23 7  35 o 41.33705 6.338026 93.87782       24.82814 108.7905       29.44143 57.16000       46.19759 43.98964 7.077641 29.62630 11.36420 14.36335       13.38798 
1 1 1 -23 7  36 o 38.82796 6.000154 82.31371       22.06972 89.39759       29.77017 73.67029       32.88425 38.95497 8.072989 34.11551 9.498598 4.839458       12.46581 
1 1 1 -23 7  37 o 31.15239 7.293831 56.33438       21.84661 48.19748       29.75997 65.84396       32.17239 27.77926 9.301070 32.05496 9.544625 -4.275702      13.32703 
1 1 1 -23 7  38 f 27.95173 8.489347 48.09227       25.26729 53.92530       30.31886 34.83000       45.71671 29.02442 9.371688 25.53998 10.74971 3.484434       14.26131 
1 1 1 -23 7  39 o 27.65020 8.071463 46.68192       23.19820 48.81557       32.81153 44.54939       32.80289 27.43665 9.740306 26.48374 9.694332 0.9529057      13.74240 
1 1 1 -23 7  40 o 37.94623 7.387836 84.57089       26.45312 147.8000       44.58635 50.22331       32.86180 47.51876 9.907284 27.59070 9.752275 19.92806       13.90184 
1 1 1 -23 7  41 o 18.14671 7.828558 8.303562       25.32238 19.35000       42.31985 2.142877       31.60440 22.50888 9.906945 18.58174 8.345067 3.927145       12.95329 
1 1 1 -23 7  42 o 18.40224 7.737442 11.97858       23.64649 21.69587       34.80503 3.648000       32.22604 21.84098 9.294367 18.83239 8.444625 3.008595       12.55774 
1 1 1 -23 7  43 o 17.26228 7.518658 5.705946       23.81641 -26.10037      34.14582 35.83914       33.23559 16.06051 7.681171 24.12031 9.527793 -8.059801      12.23843 
1 1 1 -23 7  44 o 38.89040 6.922328 88.52374       25.38520 75.82227       37.13010 99.67130       34.78476 32.28073 10.36634 38.79530 9.284254 -6.514572      13.91612 
1 1 1 -23 7  45 o 27.13030 8.486384 47.72200       25.02711 51.08061       37.39590 44.99735       33.68207 26.86123 10.24402 25.78100 9.747607 1.080229       14.14057 
1 1 1 -23 7  46 o 23.44073 9.005322 34.10971       29.03998 14.14488       37.03079 66.00000       46.80145 20.82982 9.213250 28.88454 11.33784 -8.054718      14.60927 
1 1 1 -23 7  47 o 18.79205 7.917577 13.67589       24.84098 -17.71305      36.02186 42.13923       34.30210 17.10233 8.096160 25.07834 9.746055 -7.976013      12.67018 
1 1 1 -23 7  48 o 16.83634 7.499953 2.556726       24.97795 50.83704       36.59425 -39.55771      34.17774 26.52778 10.12954 14.82962 7.233067 11.69816       12.44688 
1 1 1 -23 7  49 o 26.08698 8.789502 45.92332       26.57336 44.92432       39.35437 46.76051       36.02656 25.21256 10.22724 25.60932 9.977965 -0.3967667     14.28833 
1 1 1 -23 7  50 f 22.24412 9.710918 26.78626       39.92648 38.05000       57.23607 16.11000       55.72346 24.33756 11.05108 22.33951 10.41362 1.998056       15.18453 
1 1 1 -23 7  51 o 22.29123 9.074413 32.04947       31.11165 -16.49000      57.27133 52.37024       37.05611 19.86271 9.612184 25.91964 10.11362 -6.056936      13.95275 
1 1 1 -23 8  1  o 48.95367 3.156788 118.4646       15.04581 97.03863       24.04090 132.2600       19.29074 43.74576 5.753828 51.61811 3.845675 -7.872349      6.920676 
1 1 1 -23 8  2  o 33.85826 3.874065 57.32602       12.60831 44.10332       20.72286 65.09778       15.88726 29.00680 7.304199 35.95876 4.620407 -6.951954      8.642886 
1 1 1 -23 8  3  o 58.26175 2.946163 167.4177       16.74691 132.7595       25.86363 192.4395       21.97588 51.41327 5.211247 62.35817 3.615875 -10.94490      6.342842 
1 1 1 -23 8  4  o 95.74789 3.383561 452.3665       31.66112 492.2000       64.60405 439.7753       36.32204 98.71954 6.725926 94.26591 3.945214 4.453621       7.797615 
1 1 1 -23 8  5  o 127.4032 3.204254 799.9495       39.92717 770.8916       57.52663 826.9581       55.46109 124.5580 4.726936 129.1450 4.393771 -4.586990      6.453615 
1 1 1 -23 8  6  o 18.64623 5.930557 17.13189       12.17501 6.920604       19.96165 23.18068       15.36351 17.83735 7.265918 21.45992 6.639044 -3.622566      9.842279 
1 1 1 -23 8  7  o 57.15414 3.054686 161.2879       17.02707 153.5321       26.38529 166.8227       22.28942 55.36950 4.919548 57.96037 3.952463 -2.590870      6.310619 
1 1 1 -23 8  8  o 70.93528 2.966722 248.1300       20.55349 229.3141       31.09582 262.7281       27.38969 67.79469 4.715366 72.80976 3.856944 -5.015076      6.091855 
1 1 1 -23 8  9  o 48.48746 3.353939 116.4902       15.82000 112.2381       24.42454 119.5634       20.76422 47.13340 5.390954 48.91745 4.382962 -1.784046      6.947858 
1 1 1 -23 8  10 f 53.12807 3.172220 139.6134       16.42145 109.2836       24.48249 164.4183       22.14057 46.45797 5.489722 57.51049 3.957226 -11.05252      6.767325 
1 1 1 -23 8  11 o 112.6020 3.445643 626.5634       37.93250 671.7000       67.90104 606.0866       45.73444 115.4634 6.028828 110.4729 4.237279 4.990471       7.368942 
1 1 1 -23 8  12 o 23.20213 5.691411 28.04972       12.82614 25.03268       18.82789 30.66229       17.52041 22.49952 7.393575 24.27632 6.993411 -1.776796      10.17707 
1 1 1 -23 8  13 o 20.66470 6.447639 21.54629       14.45619 3.155855       19.35676 44.74000       21.73811 16.69794 7.009422 29.04384 7.570520 -12.34590      10.31721 
1 1 1 -23 8  14 o 55.97193 4.101930 156.2781       22.31713 133.5000       48.79948 162.3018       25.09514 49.26628 10.44411 56.92661 4.541310 -7.660328      11.38872 
1 1 1 -23 8  15 o 52.66850 4.140810 138.6336       21.17571 152.3434       25.87048 110.8000       36.86155 55.02030 4.853400 45.49303 8.592789 9.527267       9.868713 
1 1 1 -23 8  16 o 46.86292 4.444331 110.3953       20.14281 111.2826       23.71879 108.1000       38.14808 46.80692 5.268366 44.65082 9.038942 2.156101       10.46222 
1 1 1 -23 8  17 o 59.25772 4.079288 175.4964       23.51677 195.2508       28.60472 134.3000       41.30812 62.30359 4.725738 49.92315 8.773361 12.38044       9.965162 
1 1 1 -23 8  18 o 44.90682 3.858784 100.9278       16.79738 101.2995       23.48053 100.5382       24.03951 44.49147 5.509303 44.26245 5.679311 0.2290154      7.912458 
1 1 1 -23 8  19 o 8.888177 4.341416 -22.78229      12.44104 -1.107974      16.32241 -52.83155      19.21890 14.44384 6.258206 9.601110 4.808809 4.842734       7.892388 
1 1 1 -23 8  20 o 19.64967 6.553090 19.03482       14.77486 25.26000       20.77493 12.66385       21.01678 22.63321 7.769312 19.28073 7.588768 3.352472       10.86055 
1 1 1 -23 8  21 o 83.29070 3.459655 344.9585       28.14421 386.6000       46.17598 320.3457       35.50034 87.19485 5.437331 79.79353 4.564300 7.401329       7.099113 
1 1 1 -23 8  22 o 68.33680 3.390622 232.3819       22.60902 232.8894       32.21411 231.8892       31.73916 67.81702 4.885643 67.70010 4.821157 0.1169205      6.863895 
1 1 1 -23 8  23 o 41.67146 4.365838 87.98234       17.54386 84.70644       23.78619 91.89046       25.98027 40.18511 6.250297 41.74516 6.575457 -1.560051      9.072091 
1 1 1 -23 8  24 f 62.19530 3.588053 193.2185       21.75081 214.1274       30.59444 171.8500       30.92886 64.95747 4.846731 57.84148 5.530091 7.115986       7.353415 
1 1 1 -23 8  25 o 30.13351 6.016845 48.15993       17.12523 39.65063       22.37413 60.19666       26.61052 26.93399 7.944418 32.89877 8.273009 -5.964785      11.46981 
1 1 1 -23 8  26 o 89.30137 4.227082 401.6099       36.84431 396.4000       49.30196 408.2000       55.44961 87.65907 5.778164 88.40685 6.452185 -0.7477875     8.661285 
1 1 1 -23 8  27 o 95.85431 4.059107 462.0922       37.99830 479.6000       77.58916 456.5682       43.58252 93.47114 8.575912 94.84001 4.709505 -1.368874      9.783951 
1 1 1 -23 8  28 o 46.22311 4.420512 108.9394       19.75699 65.09096       25.96600 169.2284       30.44720 34.09472 7.930657 57.11037 5.515141 -23.01565      9.659819 
1 1 1 -23 8  29 o 15.70654 6.691761 2.657475       18.07915 -4.982597      23.98279 12.71393       27.51524 16.40620 7.325982 20.50887 8.461722 -4.102663      11.19244 
1 1 1 -23 8  30 o 54.11082 5.564219 153.5449       29.05144 62.01000       55.91518 187.3909       34.00087 31.86971 12.42683 59.57885 5.908044 -27.70914      13.75976 
1 1 1 -23 8  31 o 13.72496 6.545212 -26.05001      24.41697 -45.66000      51.01487 -20.22283      27.80914 19.38105 9.300955 15.52336 7.275388 3.857696       11.80843 
1 1 1 -23 8  32 o 18.13646 7.795629 5.184008       24.93431 41.49000       51.08722 -6.169146      28.56810 27.90221 11.52280 17.40573 7.864983 10.49649       13.95109 
1 1 1 -23 8  33 o 18.46495 7.468011 12.31428       20.91322 -0.5350000     30.46038 23.77220       28.76398 18.63562 8.293037 22.45973 8.866240 -3.824112      12.14021 
1 1 1 -23 8  34 o 16.49258 7.193753 1.658378       21.86943 -4.070661      25.24998 18.86000       43.75270 16.59893 7.456476 23.68877 10.25502 -7.089842      12.67929 
1 1 1 -23 8  35 o 62.34539 4.714722 202.5266       28.55853 184.2418       34.49048 242.4000       50.93274 58.24822 6.141715 64.47057 8.260591 -6.222343      10.29359 
1 1 1 -23 8  36 o 38.68214 6.915179 84.46275       25.22193 90.43106       30.08927 70.36000       46.25277 39.09792 8.127808 31.73297 11.52737 7.364946       14.10466 
1 1 1 -23 8  37 o 38.47683 7.224786 85.03647       26.21114 101.5506       31.17875 45.24000       48.40088 41.49236 7.966424 27.30418 11.23971 14.18818       13.77661 
1 1 1 -23 8  38 o 22.56014 7.983075 29.00154       22.02515 27.59899       30.45307 30.53991       31.89334 22.93115 9.100479 23.64778 9.335824 -0.7166214     13.03750 
1 1 1 -23 8  39 o 25.63357 8.532148 40.38352       25.04890 34.20000       40.77149 44.13263       31.74702 24.85349 10.28170 26.38664 9.555184 -1.533142      14.03620 
1 1 1 -23 8  40 o 41.89996 6.763983 100.3354       26.79647 147.2000       44.79717 74.22368       33.43846 47.16648 10.01306 33.27703 9.683868 13.88946       13.92977 
1 1 1 -23 8  41 o 20.56522 8.013156 22.16076       23.23630 25.45553       33.90710 19.24337       31.90627 22.40837 9.332308 21.13577 8.942549 1.272598       12.92521 
1 1 1 -23 8  42 o 14.76159 6.826939 -9.607234      23.23318 -27.43735      33.38692 7.133495       32.35091 15.75155 7.549957 19.28953 8.567460 -3.537979      11.41942 
1 1 1 -23 8  43 o 16.47316 7.324146 1.129827       23.70449 2.846807       34.42592 -0.4181713     32.68799 19.12892 8.639621 18.38109 8.348402 0.7478237      12.01411 
1 1 1 -23 8  44 o 36.44186 7.263815 79.35831       25.00047 100.8990       36.47223 60.26663       34.33636 38.46865 9.691965 29.08115 9.988073 9.387505       13.91746 
1 1 1 -23 8  45 o 30.97128 8.874846 63.65255       28.28689 52.22215       35.75696 82.77000       46.24286 27.11444 10.08650 31.89296 11.53449 -4.778528      15.32260 
1 1 1 -23 8  46 o 31.99253 8.095092 64.72768       25.36608 48.68319       37.04574 78.89006       34.80512 26.31126 10.15465 33.34123 9.927437 -7.029968      14.20109 
1 1 1 -23 8  47 o 32.26266 8.109403 66.19624       25.57668 60.65428       37.03809 71.24793       35.36187 28.55602 10.32351 31.19180 10.12516 -2.635780      14.46008 
1 1 1 -23 8  48 o 15.47286 7.123260 -6.778746      24.88148 -12.68833      36.94558 -1.873784      33.65905 17.66444 8.312465 18.13389 8.325090 -0.4694481     11.76453 
1 1 1 -23 8  49 o 52.03960 7.037341 161.3188       34.92881 195.7686       43.71594 100.5000       58.08517 55.57178 8.289922 32.00593 12.61026 23.56586       15.09111 
1 1 1 -23 8  50 o 17.33186 7.728113 4.930449       26.58688 -3.323905      38.70516 12.30468       36.58354 18.58048 8.667197 19.97833 8.974839 -1.397850      12.47670 
1 1 1 -23 8  51 o 24.47435 9.922622 44.91133       37.02270 0.000000       0.000000 44.91133       37.02270 ?        ?        24.47435 9.922622 ?              ?        
1 1 1 -23 9  1  o 96.99767 2.890221 463.3384       27.41031 444.4503       40.80123 478.8747       37.00436 94.60595 4.418245 98.37756 3.850260 -3.771606      5.860494 
1 1 1 -23 9  2  o 96.56849 2.914237 459.3029       27.51499 410.1918       40.20582 502.5648       37.73568 90.84199 4.535991 100.7894 3.831978 -9.947365      5.937952 
1 1 1 -23 9  3  o 41.52265 4.692705 86.61875       18.73898 83.19000       28.17083 89.34000       25.09662 39.92593 7.483270 41.75200 6.339928 -1.826069      9.807855 
1 1 1 -23 9  4  o 41.29337 3.522041 84.72250       14.10001 76.22038       22.98748 89.85065       17.85287 38.50217 6.318566 42.36837 4.367373 -3.866199      7.681030 
1 1 1 -23 9  5  o 50.54955 3.215054 126.4111       15.82542 130.6388       25.46098 123.7496       20.20173 50.96751 5.175266 49.82804 4.180491 1.139462       6.652811 
1 1 1 -23 9  6  o 31.32103 4.458452 49.58665       13.28314 44.34331       21.56848 52.79053       16.85985 29.01522 7.529912 32.07512 5.572146 -3.059900      9.367411 
1 1 1 -23 9  7  o 54.20942 3.153536 145.2872       16.66094 143.3195       26.64216 146.5509       21.35098 53.39125 5.162235 54.26968 4.048506 -0.8784294     6.560417 
1 1 1 -23 9  8  o 93.80826 2.966200 433.7946       27.20204 388.0023       39.68304 474.3846       37.36089 88.26152 4.609299 97.84846 3.908695 -9.586945      6.043470 
1 1 1 -23 9  9  o 40.67644 3.691342 82.43470       14.53729 88.47844       23.17305 78.51266       18.66750 41.62652 5.848381 39.40969 4.948027 2.216831       7.660713 
1 1 1 -23 9  10 o 29.16826 4.826982 43.43483       13.29977 42.06625       21.00452 44.35073       17.18318 28.21985 7.483190 29.15813 6.210922 -0.9382801     9.724900 
1 1 1 -23 9  11 o 73.43940 3.515711 267.1080       25.19912 243.2099       32.38176 303.8000       40.12404 69.71902 4.773882 77.76534 5.302966 -8.046318      7.135222 
1 1 1 -23 9  12 f 15.94624 6.420592 6.396398       15.38227 36.32000       40.85633 1.454177       16.60403 28.66300 10.75766 15.21503 6.444882 13.44797       12.54049 
1 1 1 -23 9  13 o 33.36181 5.820799 57.51525       18.31711 66.35365       22.95146 42.01000       30.39927 35.58426 6.837806 28.55086 9.395389 7.033405       11.62019 
1 1 1 -23 9  14 o 59.21604 3.894307 174.6577       22.44701 198.4705       28.15294 133.1000       37.19152 62.92969 4.602304 50.30418 7.806107 12.62551       9.061815 
1 1 1 -23 9  15 o 75.63148 3.683164 284.1735       27.18454 328.7065       34.62376 212.6000       43.89441 81.11230 4.377167 64.06003 7.120455 17.05228       8.358258 
1 1 1 -23 9  16 o 25.10624 6.027383 33.18783       14.62426 43.68468       20.44176 22.18296       20.93056 28.59104 7.284696 21.85436 7.777320 6.736673       10.65615 
1 1 1 -23 9  17 o 42.37226 3.929065 90.00658       16.11024 55.63251       22.34504 127.2163       23.24845 32.26271 7.252612 50.17595 4.791739 -17.91324      8.692591 
1 1 1 -23 9  18 o 20.70794 6.345492 22.06527       14.07569 26.46675       19.53347 17.31121       20.30077 22.86646 7.531667 20.31821 7.591819 2.548243       10.69400 
1 1 1 -23 9  19 o 85.91010 3.447695 366.6341       28.93319 428.6000       49.39233 334.2632       35.69936 91.86329 5.518465 81.60415 4.486589 10.25914       7.112168 
1 1 1 -23 9  20 o 33.23402 5.475226 57.27889       17.19141 52.88000       24.66387 61.43563       23.97539 31.12201 8.039730 33.74952 7.456595 -2.627510      10.96531 
1 1 1 -23 9  21 o 38.54723 4.696301 75.71169       17.35435 114.8948       24.29996 34.92246       24.79299 47.35568 5.335100 25.78996 8.484822 21.56572       10.02275 
1 1 1 -23 9  22 o 34.21228 5.111457 60.37535       16.59314 61.66576       22.63899 58.87745       24.39134 33.87538 7.056971 32.84529 7.718302 1.030087       10.45816 
1 1 1 -23 9  23 o 30.79381 5.763351 49.84369       16.73345 40.98449       22.36785 61.10337       25.21682 27.41516 7.903148 33.38185 7.850139 -5.966690      11.13932 
1 1 1 -23 9  24 o 122.8263 3.939770 755.0453       47.30491 738.1444       58.62004 786.6000       80.09832 120.6535 4.974302 122.8564 6.685887 -2.202904      8.333353 
1 1 1 -23 9  25 o 80.01704 3.384270 319.2213       26.44673 328.4630       37.67747 310.2456       37.13115 80.42600 4.808019 78.11363 4.880688 2.312370       6.851143 
1 1 1 -23 9  26 o 53.70637 3.934097 145.2690       20.53778 119.5663       27.78725 176.2153       30.49019 47.75933 6.081800 58.48787 5.386296 -10.72853      8.124068 
1 1 1 -23 9  27 o 37.00706 5.136587 71.06980       18.10557 67.12852       24.25655 76.02819       27.20698 34.99070 7.317919 37.07397 7.747308 -2.083267      10.65705 
1 1 1 -23 9  28 o 41.55466 4.831349 89.07578       19.28546 102.6586       25.90905 72.19975       28.87967 43.96872 6.191290 35.59719 8.420975 8.371525       10.45203 
1 1 1 -23 9  29 o 21.81590 7.205190 25.29261       17.87257 7.130588       23.10357 52.35857       28.20386 18.21925 7.653543 29.97950 8.938995 -11.76025      11.76785 
1 1 1 -23 9  30 o 20.47993 8.297864 15.35159       25.87197 -28.87000      52.45181 29.56989       29.74179 21.00508 9.890664 24.15417 9.153535 -3.149084      13.47637 
1 1 1 -23 9  31 o 27.80758 8.721763 45.60413       26.41652 6.032000       52.22014 59.21341       30.62392 23.84860 10.71732 31.20486 9.317074 -7.356256      14.20101 
1 1 1 -23 9  32 o 19.98575 8.130343 14.88224       24.95469 70.87000       49.10452 -4.611907      28.97524 32.47071 11.86497 17.71218 7.969479 14.75854       14.29301 
1 1 1 -23 9  33 o 24.83606 8.655446 35.40873       25.82419 -3.145000      50.07726 49.37572       30.14108 22.30077 10.20684 28.41086 9.355700 -6.110086      13.84589 
1 1 1 -23 9  34 o 40.99908 5.897928 91.07479       22.98878 92.69000       33.40981 89.62241       31.68112 39.05637 8.933701 38.67487 8.592115 0.3814964      12.39498 
1 1 1 -23 9  35 o 13.95758 6.535291 -15.91520      22.34872 -15.52905      25.70778 -17.11000      45.22020 15.15509 7.067449 19.90733 9.313032 -4.752243      11.69108 
1 1 1 -23 9  36 f 24.92267 9.090348 36.45594       28.80443 36.45594       28.80443 0.000000       0.000000 24.92267 9.090348 ?        ?        ?              ?        
1 1 1 -23 9  37 o 27.47450 8.444681 46.33709       24.90528 46.36087       29.64146 46.28000       45.92958 27.15235 9.281507 27.22554 11.04685 -0.7318878E-01 14.42842 
1 1 1 -23 9  38 o 14.34816 6.609543 -9.697720      21.46853 5.358960       29.80272 -25.93812      30.95206 18.89559 8.315274 15.48494 7.380257 3.410653       11.11809 
1 1 1 -23 9  39 o 46.17761 6.146029 118.2050       27.09085 171.5000       45.12745 88.17681       33.87368 52.38119 9.133460 36.94994 9.357446 15.43125       13.07600 
1 1 1 -23 9  40 o 27.67145 8.089290 47.59591       23.28611 39.57780       33.64757 54.96604       32.25934 25.10322 9.680546 28.54519 9.684051 -3.441973      13.69284 
1 1 1 -23 9  41 o 26.61344 8.249712 44.64828       23.70881 83.45387       34.93857 11.52795       32.27790 34.92328 9.815357 19.97136 8.724790 14.95192       13.13252 
1 1 1 -23 9  42 o 17.99138 7.633460 10.39059       23.35767 -30.39200      34.11416 46.38279       32.04804 15.67430 7.543645 26.26918 9.587436 -10.59488      12.19941 
1 1 1 -23 9  43 o 15.97312 7.397303 -9.660359      27.41528 -11.47572      34.00804 -6.291000      46.33126 17.39942 8.118924 20.19139 9.439670 -2.791971      12.45088 
1 1 1 -23 9  44 o 18.97505 8.159163 11.78281       27.33360 28.74162       34.50909 -16.77000      44.77755 22.76915 9.442906 18.95066 8.987432 3.818489       13.03620 
1 1 1 -23 9  45 o 16.20477 7.252710 0.1418248      23.64989 -43.10364      34.03165 40.53342       32.88958 14.61640 7.148120 24.80667 9.569644 -10.19028      11.94461 
1 1 1 -23 9  46 o 35.99174 7.344918 78.10812       24.99896 52.58728       35.91850 102.0850       34.81505 27.11124 10.10460 39.15402 9.234946 -12.04278      13.68894 
1 1 1 -23 9  47 o 20.20765 8.135278 21.25718       24.69165 16.30873       35.60478 25.84206       34.27188 20.75077 9.111636 22.02451 9.290791 -1.273737      13.01310 
1 1 1 -23 9  48 o 43.98837 7.820575 119.3509       32.43911 158.7626       40.46177 48.44000       54.27357 49.79605 8.612829 25.87955 11.30952 23.91649       14.21570 
1 1 1 -23 9  49 o 32.86348 8.360268 70.85294       26.95301 85.72140       39.11288 57.40751       37.19410 33.10855 10.64023 27.39757 10.26807 5.710987       14.78674 
1 1 1 -23 9  50 o 31.14163 9.215765 69.18454       30.06749 94.40000       51.96048 56.49067       36.86691 31.33261 12.04362 26.87749 10.18988 4.455116       15.77601 
1 1 1 -23 9  51 o 28.01626 8.778107 55.37065       26.76592 20.60506       38.58809 87.60692       37.15787 20.95731 9.329676 33.32793 10.32729 -12.37061      13.91747 
1 1 1 -23 10 1  o 111.2425 3.468050 611.2348       37.71650 684.8000       76.29643 587.4434       43.38881 116.3130 6.730207 108.8628 4.079068 7.450249       7.869846 
1 1 1 -23 10 2  f 84.70035 2.878417 353.5186       23.82943 312.8102       35.80276 385.8942       31.92879 79.23233 4.636711 88.30480 3.702170 -9.072472      5.933393 
1 1 1 -23 10 3  f 96.39918 3.347808 458.8773       31.54136 565.7000       68.00539 429.5999       35.60229 105.7363 6.603687 93.11670 3.914841 12.61963       7.676891 
1 1 1 -23 10 4  o 85.53913 2.880204 360.5843       24.08100 366.2875       37.64038 356.6324       31.33219 85.79214 4.498006 84.85744 3.781699 0.9347000      5.876504 
1 1 1 -23 10 5  o 51.78872 3.148245 132.6663       15.88377 134.7363       26.23407 131.4683       19.95765 51.71347 5.255628 51.38742 3.999236 0.3260498      6.604204 
1 1 1 -23 10 6  o 54.66283 3.705683 148.3501       19.71023 153.4322       26.63683 142.2000       29.30239 55.28589 4.975399 52.98610 5.741457 2.299786       7.597298 
1 1 1 -23 10 7  o 132.3587 3.275331 864.2254       42.43400 839.0095       61.54823 887.0702       58.58300 129.7151 4.856086 133.5629 4.487419 -3.847855      6.611997 
1 1 1 -23 10 8  o 77.14761 2.935252 293.6168       22.12489 259.9971       33.24552 320.3436       29.64222 72.12468 4.735349 80.38161 3.778024 -8.256927      6.057804 
1 1 1 -23 10 9  o 32.14011 4.389976 52.21935       13.45011 56.85985       21.84641 49.38668       17.06853 32.88342 7.002111 30.87880 5.861482 2.004618       9.131623 
1 1 1 -23 10 10 o 49.36542 4.002329 121.5603       19.17361 113.1163       25.95719 131.7000       28.44433 47.13576 5.744528 50.88531 5.815090 -3.749550      8.174036 
1 1 1 -23 10 11 o 38.76288 4.733270 75.94648       17.58701 48.35000       43.63900 81.29780       19.21667 31.29812 11.21960 40.04996 5.011351 -8.751837      12.28792 
1 1 1 -23 10 12 o 35.58926 5.333355 64.80540       18.00758 68.66887       23.34562 59.13000       28.29537 36.19789 6.839517 33.09460 8.642520 3.103291       11.02144 
1 1 1 -23 10 13 o 42.80346 4.778671 92.58360       19.68014 88.14678       24.81794 100.1000       32.30238 41.26594 6.347300 43.44529 7.886377 -2.179352      10.12340 
1 1 1 -23 10 14 o 20.74556 6.998002 20.94237       16.84474 35.66391       20.70006 -7.916000      28.98217 25.98863 7.635026 18.11967 8.074747 7.868959       11.11284 
1 1 1 -23 10 15 o 77.40798 3.121230 296.6067       23.60077 303.0769       35.86151 291.6635       31.34554 77.68293 4.738795 76.40795 4.207369 1.274979       6.337045 
1 1 1 -23 10 16 o 73.34576 3.113128 266.4203       22.29921 278.3675       33.58018 256.9961       29.82451 74.45156 4.630826 71.66311 4.271163 2.788452       6.299792 
1 1 1 -23 10 17 o 58.77267 3.377634 171.6861       19.34912 168.6623       28.84390 174.1602       26.09041 57.66631 5.164683 58.82750 4.566747 -1.161186      6.894137 
1 1 1 -23 10 18 f 63.24535 3.581808 199.2146       22.08301 221.4000       35.85984 185.6617       28.02800 65.88008 5.614382 60.64650 4.759612 5.233582       7.360380 
1 1 1 -23 10 19 o 48.74510 4.155522 119.4651       19.63839 143.3000       30.75617 103.0584       25.51745 52.67113 6.076874 44.60366 5.996445 8.067471       8.537314 
1 1 1 -23 10 20 o 40.29583 4.395943 82.25470       17.05792 64.74678       23.62410 101.3256       24.65606 34.72618 7.187137 44.24726 5.834941 -9.521084      9.257509 
1 1 1 -23 10 21 o 28.31250 6.010080 42.44511       16.14009 52.69017       22.46280 31.51049       23.20644 31.13836 7.466540 24.64306 8.212620 6.495296       11.09938 
1 1 1 -23 10 22 o 15.22954 6.249918 5.031311       14.90590 7.282647       19.88660 2.144752       22.51804 17.56649 7.215060 17.38168 7.438513 0.1848106      10.36285 
1 1 1 -23 10 23 o 77.81142 4.127357 304.0795       31.32314 433.4000       71.60902 273.4815       34.83222 89.71073 8.247088 73.41125 4.875058 16.29948       9.580222 
1 1 1 -23 10 24 f 14.62394 6.215038 1.711778       15.52772 -2.501123      20.59867 7.256540       23.63143 15.77992 6.929649 18.66805 7.784038 -2.888136      10.42167 
1 1 1 -23 10 25 o 56.61237 3.802782 161.0012       20.95041 150.4140       28.89679 172.7328       30.41844 53.93386 5.552978 57.89460 5.431173 -3.960735      7.767445 
1 1 1 -23 10 26 o 71.55174 3.492579 256.0400       24.38701 251.7980       34.06385 260.5003       34.92931 70.18139 4.991248 71.36393 5.032679 -1.182541      7.088047 
1 1 1 -23 10 27 o 42.45059 4.566468 92.33717       18.67646 74.12766       24.59597 117.1337       28.70185 36.85083 7.076012 46.92203 6.417199 -10.07120      9.552506 
1 1 1 -23 10 28 o 41.14780 4.864439 87.58649       19.21392 106.1532       25.48915 63.15218       29.24070 44.78122 5.963123 32.94195 8.871718 11.83927       10.68954 
1 1 1 -23 10 29 o 28.49010 6.783426 44.97546       18.64382 33.04438       24.29356 62.07111       29.07998 24.54260 8.402254 32.46653 8.891070 -7.923935      12.23311 
1 1 1 -23 10 30 o 25.24586 7.241138 35.91885       18.82251 11.94174       24.76324 68.72595       28.96630 19.45295 8.026874 34.11801 8.660122 -14.66506      11.80798 
1 1 1 -23 10 31 o 14.03111 6.663606 -23.84332      24.78416 -87.69000      48.99431 -1.887003      28.73136 16.36232 8.110191 18.03847 8.039070 -1.676147      11.41936 
1 1 1 -23 10 32 o 23.04828 8.580263 28.09976       25.88421 -15.56000      48.26918 45.72210       30.66627 20.89466 9.723976 27.55095 9.439955 -6.656284      13.55243 
1 1 1 -23 10 33 o 47.98273 6.234228 125.4940       28.58859 125.8000       54.77188 125.3794       33.51647 41.66179 12.46526 46.89726 7.558239 -5.235474      14.57771 
1 1 1 -23 10 34 o 36.44878 7.919438 77.93826       27.44483 79.38000       54.08326 77.43822       31.85045 32.99873 12.37876 35.34919 9.138573 -2.350468      15.38659 
1 1 1 -23 10 35 f 37.19453 7.966394 81.57408       28.12949 128.9000       35.68539 3.911000       45.71390 46.91420 8.061494 21.99945 9.944085 24.91474       12.80127 
1 1 1 -23 10 36 o 34.98910 8.534912 74.76669       28.96595 74.76669       28.96595 0.000000       0.000000 34.98910 8.534912 ?        ?        ?              ?        
1 1 1 -23 10 37 o 43.74553 6.444726 106.7520       26.76996 94.89474       31.98217 134.5000       48.92522 39.43798 8.533185 43.81574 11.32571 -4.377754      14.18052 
1 1 1 -23 10 38 o 33.34217 8.886051 70.41393       29.52464 72.04000       37.80073 67.87000       47.28057 32.21320 10.46938 30.42375 11.53841 1.789446       15.58021 
1 1 1 -23 10 39 o 20.07905 7.833378 20.11724       22.22733 6.101258       31.25332 34.46243       31.61823 19.16638 8.471408 24.11163 9.360731 -4.945250      12.62490 
1 1 1 -23 10 40 o 22.77138 8.077840 30.99347       22.56305 11.41838       32.20691 49.86061       31.61916 19.95609 8.716714 27.24870 9.571660 -7.292612      12.94596 
1 1 1 -23 10 41 f 17.11597 7.382574 6.703311       22.51154 -9.120636      32.21619 21.80195       31.46920 17.25091 7.999409 21.41473 8.959867 -4.163820      12.01123 
1 1 1 -23 10 42 o 19.96062 7.921044 20.02968       23.06955 -4.901578      33.32795 42.96383       31.96523 17.95705 8.258616 25.52202 9.528359 -7.564972      12.60930 
1 1 1 -23 10 43 o 21.03219 8.492357 23.09319       26.99422 26.90541       33.52103 16.06000       45.53079 22.38271 9.296780 22.15407 9.977176 0.2286415      13.63723 
1 1 1 -23 10 44 o 15.56219 7.092235 -4.609940      23.84420 -31.48480      34.45047 20.10277       33.03559 15.59588 7.524664 21.16680 9.032743 -5.570921      11.75632 
1 1 1 -23 10 45 o 12.88561 6.209549 -25.61220      23.29205 -9.408128      33.77447 -40.30811      32.16434 17.43651 8.121128 14.31876 6.991069 3.117747       10.71577 
1 1 1 -23 10 46 o 19.85828 8.022262 19.65057       24.10144 -5.969136      34.46401 44.17229       33.71741 17.91372 8.295282 25.44708 9.721671 -7.533360      12.77977 
1 1 1 -23 10 47 o 35.13713 7.807838 77.01900       26.15659 85.86681       37.16515 68.33511       36.81927 34.08476 10.28400 30.10188 10.34275 3.982880       14.58537 
1 1 1 -23 10 48 o 32.89997 9.358000 75.43741       31.56493 77.66108       39.20538 71.34000       53.21882 31.53473 10.67603 28.58225 11.77790 2.952482       15.89643 
1 1 1 -23 10 49 o 25.78754 9.191994 46.89502       29.24887 108.3000       52.20965 18.80844       35.31005 34.03521 12.26313 20.73136 9.089349 13.30385       15.26436 
1 1 1 -23 10 50 o 24.90755 8.741889 43.27606       26.37083 26.60334       38.72176 57.69797       36.01334 21.81024 9.541476 27.04822 10.11059 -5.237986      13.90193 
1 1 1 -23 10 51 o 19.72744 8.499141 19.07766       29.76915 75.15145       38.15273 -68.19000      47.59621 29.92808 10.51406 15.56412 7.760438 14.36395       13.06790 
1 1 1 -23 11 1  o 71.33856 2.877373 251.0105       20.05094 226.2286       31.67436 267.5822       25.90144 67.23676 4.845262 73.49884 3.611344 -6.262085      6.043043 
1 1 1 -23 11 2  o 70.07121 4.010698 243.9559       27.39353 192.6000       39.36005 292.2000       38.14893 61.40081 6.655296 76.35710 5.134028 -14.95629      8.405427 
1 1 1 -23 11 3  o 49.96478 3.982504 124.3924       19.31612 105.6981       26.32409 146.2000       28.43173 45.48141 6.064039 53.79346 5.475932 -8.312046      8.170582 
1 1 1 -23 11 4  o 106.7205 4.410791 566.5749       45.97626 588.1000       73.59979 552.8000       58.87740 107.4089 7.039311 104.8173 5.760799 2.591637       9.096083 
1 1 1 -23 11 5  o 74.09669 2.920824 270.8808       21.14262 229.4718       32.46930 301.3631       27.85798 67.67245 4.935728 77.98608 3.659649 -10.31363      6.144464 
1 1 1 -23 11 6  o 52.57607 3.163575 136.8258       16.20536 99.67618       25.96852 160.5198       20.73906 44.08458 6.188178 56.83876 3.748605 -12.75418      7.235025 
1 1 1 -23 11 7  o 45.82668 3.457496 104.3298       15.39469 85.15174       24.70504 116.5040       19.68352 40.60245 6.430202 48.27614 4.207463 -7.673687      7.684415 
1 1 1 -23 11 8  o 83.21317 3.534454 342.9232       28.72304 328.6919       37.47064 363.2000       44.72690 81.08393 4.741870 84.98495 5.404763 -3.901016      7.190048 
1 1 1 -23 11 9  o 58.11535 3.738866 167.8872       21.15566 185.4000       49.42439 163.9588       23.40851 59.14878 8.804685 57.31229 4.201930 1.836487       9.755956 
1 1 1 -23 11 10 o 80.59007 2.983624 320.7375       23.49532 336.1708       36.63979 309.9592       30.61954 82.01608 4.582241 78.94821 3.975116 3.067863       6.066175 
1 1 1 -23 11 11 f 22.69221 6.856700 26.59168       16.51259 26.03718       21.66673 27.36000       25.50446 23.15606 7.934780 24.14161 8.585783 -0.9855461     11.69087 
1 1 1 -23 11 12 f 33.47829 5.606619 57.85150       17.72353 38.71440       22.88053 86.56000       28.02420 27.04728 8.048079 40.50714 7.338091 -13.45987      10.89124 
1 1 1 -23 11 13 o 81.59703 3.660460 330.7916       29.16145 326.3357       37.19481 337.9000       46.97882 80.64245 4.732883 81.49866 5.929616 -0.8562088     7.586866 
1 1 1 -23 11 14 o 30.67642 5.174181 48.50405       14.98431 29.85855       22.85351 62.56424       19.84547 24.33247 8.150720 34.65242 6.072091 -10.31995      10.16388 
1 1 1 -23 11 15 o 42.21445 4.009449 89.45335       16.36867 69.29652       25.23094 104.1026       21.50946 36.02154 7.403541 45.29471 4.931006 -9.273174      8.895350 
1 1 1 -23 11 16 o 85.18597 3.346478 360.0429       27.84944 398.5000       48.86345 341.5403       33.89315 88.52676 5.668805 82.64026 4.203811 5.886505       7.057434 
1 1 1 -23 11 17 o 75.66600 3.449754 284.5739       25.48303 261.7000       42.99659 296.9593       31.63861 71.33258 6.220150 77.01090 4.213243 -5.678322      7.512768 
1 1 1 -23 11 18 o 85.98591 3.484195 367.6530       29.26412 426.8000       50.73599 338.1651       35.82378 91.47905 5.694390 82.03722 4.478209 9.441826       7.244338 
1 1 1 -23 11 19 o 50.82999 3.862466 129.4873       19.07337 118.2577       27.48018 139.9257       26.49445 47.77405 6.009166 52.35065 5.240818 -4.576595      7.973472 
1 1 1 -23 11 20 o 18.36988 6.648119 15.11330       15.36519 6.886608       20.84870 24.89394       22.73264 17.81598 7.359628 22.73009 8.103479 -4.914116      10.94671 
1 1 1 -23 11 21 o 35.96685 5.080953 66.63979       17.39005 88.97559       24.62234 44.40928       24.56424 41.15582 6.313317 28.44146 8.306628 12.71435       10.43351 
1 1 1 -23 11 22 o 25.01073 6.636289 33.61768       16.51281 60.07646       23.03443 5.644586       23.68443 33.28257 7.274158 18.41232 7.742783 14.87024       10.62375 
1 1 1 -23 11 23 o 40.17857 4.720463 82.55523       18.21087 68.12388       25.09788 98.60105       26.46454 35.33961 7.488554 43.21309 6.454171 -7.873478      9.886090 
1 1 1 -23 11 24 o 60.50484 3.755895 183.6735       22.13416 192.2200       32.19581 176.0139       30.47952 61.09791 5.440366 58.47684 5.385430 2.621075       7.655092 
1 1 1 -23 11 25 o 66.13009 3.525094 218.8306       22.73548 187.9370       31.42950 252.7413       32.92850 60.39429 5.372636 70.43710 4.804768 -10.04280      7.207705 
1 1 1 -23 11 26 o 72.10056 4.371627 263.6118       30.70736 239.9000       63.61880 270.8141       35.06214 63.79097 10.55771 72.72535 4.955052 -8.934376      11.66267 
1 1 1 -23 11 27 o 69.02077 4.547828 242.9775       30.55366 172.7000       60.69064 266.8356       35.36163 52.04395 12.13761 72.00970 5.048889 -19.96576      13.14583 
1 1 1 -23 11 28 o 42.71648 4.737348 94.28906       19.47520 53.33498       25.37728 152.9662       30.37604 30.41901 8.295773 53.83241 5.859189 -23.41339      10.15628 
1 1 1 -23 11 29 o 89.69725 4.453537 411.5327       38.97895 387.1000       51.20520 445.2000       60.10801 85.31701 6.173330 90.74070 6.817280 -5.423691      9.197027 
1 1 1 -23 11 30 o 37.01630 5.609009 73.24521       19.68690 50.55873       25.51017 106.6527       30.95650 29.24757 8.442683 43.46036 7.550866 -14.21279      11.32672 
1 1 1 -23 11 31 o 33.72865 6.397054 62.67858       20.34703 75.37463       26.98104 45.93779       30.98221 36.11362 7.856719 27.65526 9.488055 8.458364       12.31873 
1 1 1 -23 11 32 o 25.27649 8.760911 37.13892       26.43948 12.40000       50.45094 46.50582       31.04394 23.90372 10.65289 27.63611 9.496952 -3.732389      14.27152 
1 1 1 -23 11 33 o 20.53500 8.325138 17.35135       26.06013 18.97000       50.20306 16.75431       30.48977 24.46160 10.77743 21.22637 8.845547 3.235229       13.94262 
1 1 1 -23 11 34 o 22.07512 9.162022 20.20708       32.52121 -14.26000      50.16152 45.20000       42.71466 21.04720 9.833991 27.29992 10.79586 -6.252720      14.60335 
1 1 1 -23 11 35 o 20.24963 7.699663 20.35636       21.08711 1.394166       28.11471 44.74198       31.88280 18.07149 8.008782 26.86606 9.594696 -8.794569      12.49795 
1 1 1 -23 11 36 o 29.47940 7.868883 52.24049       23.12969 43.77000       33.64947 59.82718       31.84566 26.46000 9.795661 30.32424 9.585010 -3.864233      13.70501 
1 1 1 -23 11 37 o 16.75144 7.844626 -16.51000      32.22118 -16.51000      32.22118 0.000000       0.000000 16.75144 7.844626 ?        ?        ?              ?        
1 1 1 -23 11 38 o 27.42079 8.738433 47.42822       26.42238 76.03989       31.94748 -14.51000      47.00504 34.24898 9.294504 20.02098 9.407200 14.22800       13.22434 
1 1 1 -23 11 39 o 39.38620 7.475028 91.94858       27.76411 90.72884       33.71187 94.52000       48.94825 37.31002 9.271708 34.53979 11.92291 2.770222       15.10365 
1 1 1 -23 11 40 o 34.71983 7.100640 71.10500       23.31664 109.8868       33.29574 33.78371       32.66277 42.04916 8.383840 23.76143 9.426510 18.28774       12.61538 
1 1 1 -23 11 41 o 19.36706 7.711274 18.26353       21.93444 9.024436       30.52013 28.13368       31.54524 19.17248 8.426722 22.49011 9.144100 -3.317629      12.43480 
1 1 1 -23 11 42 o 21.00121 8.361031 23.25743       25.78388 32.21210       31.18272 3.901000       45.84602 23.27600 9.217949 21.04081 9.680272 2.235186       13.36706 
1 1 1 -23 11 43 o 25.54302 8.262870 41.70296       23.56209 37.70691       32.99324 45.86228       33.66043 24.27615 9.522308 25.91676 9.756455 -1.640608      13.63315 
1 1 1 -23 11 44 o 27.79612 8.195067 49.59232       23.81263 62.45401       33.97296 37.17050       33.38697 29.49644 9.938199 24.11654 9.542189 5.379900       13.77756 
1 1 1 -23 11 45 o 20.01024 7.984200 20.62816       23.56364 39.61951       33.28396 1.545094       33.36423 24.55469 9.583886 18.56607 8.433164 5.988623       12.76594 
1 1 1 -23 11 46 o 32.11356 8.052738 65.59225       25.26371 95.89708       35.53046 34.60298       35.92945 37.11691 9.680552 23.57184 9.691607 13.54507       13.69819 
1 1 1 -23 11 47 o 20.65520 8.593409 21.36879       28.70813 -3.452246      34.58249 76.39000       51.48864 18.10502 8.357569 29.62067 11.80776 -11.51565      14.46624 
1 1 1 -23 11 48 o 14.56424 6.837102 -12.97299      24.73278 -7.711164      35.55354 -17.90706      34.42846 17.71063 8.276380 16.50570 7.843141 1.204929       11.40234 
1 1 1 -23 11 49 o 25.94278 9.098103 47.72720       28.56002 38.75000       48.49276 52.49483       35.33928 23.95827 10.57246 26.29992 9.975233 -2.341654      14.53555 
1 1 1 -23 11 50 o 33.58689 8.236778 75.23479       26.86889 84.40821       38.74752 66.73807       37.29101 31.99029 10.61063 28.51663 10.35177 3.473661       14.82379 
1 1 1 -23 12 1  o 52.80274 3.109309 137.9792       15.99927 101.3659       26.50043 158.9790       20.06972 44.42030 6.268967 56.57991 3.643236 -12.15961      7.250731 
1 1 1 -23 12 2  o 72.78903 2.887368 261.4448       20.53107 244.4449       32.82645 272.3676       26.31279 69.86250 4.830091 74.11995 3.637930 -4.257446      6.046844 
1 1 1 -23 12 3  o 30.47271 4.371276 47.03798       12.66559 26.88715       22.21216 56.74639       15.41766 23.55183 8.034977 33.40660 4.857168 -9.854769      9.388980 
1 1 1 -23 12 4  o 68.90146 2.934212 234.3886       19.74380 201.6607       30.94655 256.8548       25.63999 63.35373 5.031685 71.96507 3.651841 -8.611340      6.217218 
1 1 1 -23 12 5  o 31.63228 4.268694 50.55900       12.87994 56.90257       22.72321 47.55616       15.63399 32.79673 7.269428 30.37037 5.459822 2.426363       9.091437 
1 1 1 -23 12 6  o 14.95990 5.687271 8.144228       11.50356 3.689182       20.54816 10.17788       13.88305 17.23624 7.227777 16.50070 6.253695 0.7355347      9.557692 
1 1 1 -23 12 7  o 41.54326 4.461061 86.83770       17.85647 86.90395       25.11680 86.77000       25.39116 40.96211 6.479648 40.90160 6.564129 0.6051254E-01  9.223536 
1 1 1 -23 12 8  o 31.41861 5.363713 50.81329       15.90359 41.72000       43.01266 52.25329       17.11657 29.85705 11.07097 31.77523 5.713304 -1.918184      12.45826 
1 1 1 -23 12 9  o 74.82106 3.601465 277.8333       26.29857 287.3287       34.80592 265.2000       40.14685 75.72006 4.719550 72.33915 5.716283 3.380913       7.412830 
1 1 1 -23 12 10 o 13.37000 5.927113 -4.461689      15.41099 -22.53670      20.97097 16.76000       22.72318 13.12661 6.203105 20.85478 7.977483 -7.728167      10.10538 
1 1 1 -23 12 11 o 17.28613 6.677251 10.57032       16.02794 0.8384362      21.54936 22.62000       23.97860 16.96130 7.268075 22.58245 8.284843 -5.621149      11.02105 
1 1 1 -23 12 12 o 16.23427 6.527187 7.036016       15.87275 -1.971947      20.79166 19.62000       24.57451 16.12771 7.024743 21.93475 8.318625 -5.807041      10.88791 
1 1 1 -23 12 13 o 65.93923 3.196054 215.5661       20.56690 208.6213       32.56421 220.1747       26.52730 64.17992 5.228915 66.36825 4.103511 -2.188324      6.646830 
1 1 1 -23 12 14 o 56.31601 3.447081 157.7672       18.91054 159.5220       30.48458 156.6695       24.11013 55.88387 5.650527 55.82108 4.449404 0.6279373E-01  7.192055 
1 1 1 -23 12 15 f 62.21291 3.533486 192.6575       21.42895 179.5000       36.85716 199.3764       26.33797 58.88047 6.503290 63.04307 4.293767 -4.162601      7.792896 
1 1 1 -23 12 16 o 33.08581 5.302584 56.54792       16.59277 52.57000       27.83772 58.74000       20.66489 30.93756 8.784266 33.31239 6.571082 -2.374828      10.97007 
1 1 1 -23 12 17 o 55.31897 3.786613 153.0343       20.38001 159.9000       34.45769 149.3404       25.27466 55.45859 6.468958 54.29353 4.805450 1.165062       8.058522 
1 1 1 -23 12 18 o 65.85606 3.366325 215.8105       21.62792 223.0815       32.47457 210.0147       28.99357 66.29248 5.042470 64.49619 4.623299 1.796295       6.841155 
1 1 1 -23 12 19 o 16.42032 6.429119 9.136562       15.01674 -7.254660      21.60160 24.46568       20.89002 15.41604 6.913187 22.31214 7.784189 -6.896099      10.41085 
1 1 1 -23 12 20 o 29.45822 6.039056 45.98553       16.82804 36.99442       23.91539 54.80289       23.68320 26.23421 8.308044 31.63381 7.718104 -5.399599      11.33987 
1 1 1 -23 12 21 o 47.89229 4.103939 115.6456       19.05330 130.9702       27.77847 102.0308       26.18310 50.31550 5.742998 44.12576 6.235677 6.189747       8.477364 
1 1 1 -23 12 22 o 24.32438 6.732177 31.85146       16.57305 27.44904       22.85623 36.73235       24.06623 23.33195 8.142134 26.07732 8.342909 -2.745369      11.65755 
1 1 1 -23 12 23 o 76.61010 3.356827 292.7087       25.11110 279.6378       35.64518 305.5869       35.38121 74.07375 4.944520 77.60583 4.679446 -3.532082      6.807753 
1 1 1 -23 12 24 o 34.52571 5.472592 62.36820       17.87837 45.62651       24.59539 81.12498       26.03353 28.57827 8.301992 38.69888 7.135544 -10.12061      10.94710 
1 1 1 -23 12 25 o 29.88653 6.318386 48.14995       17.90475 41.02039       24.27440 56.65713       26.51612 27.12377 8.337069 31.60122 8.420737 -4.477442      11.84971 
1 1 1 -23 12 26 o 55.95145 3.920118 158.2263       21.33340 159.5061       29.72989 156.8679       30.63023 55.30901 5.567158 54.69945 5.809604 0.6095619      8.046412 
1 1 1 -23 12 27 f 41.71745 4.933185 90.29447       19.75497 46.87420       26.22618 147.2427       30.03508 28.51463 8.646578 52.80175 5.912735 -24.28712      10.47491 
1 1 1 -23 12 28 o 45.97264 4.596045 108.9871       20.40493 105.5958       27.75377 112.9769       30.10303 44.08289 6.637718 45.37864 7.002277 -1.295757      9.648377 
1 1 1 -23 12 29 o 62.13802 3.928984 196.3996       23.77467 198.3735       32.69276 194.1840       34.63626 61.36063 5.501543 60.35677 5.939582 1.003857       8.096025 
1 1 1 -23 12 30 o 14.80750 6.526052 -1.463911      18.42149 -23.24168      23.81565 30.97338       29.06552 13.73381 6.525203 24.07652 9.065590 -10.34271      11.16974 
1 1 1 -23 12 31 o 48.55220 4.647873 122.5717       21.81930 113.7172       29.06928 133.9976       33.02147 45.33779 6.756421 48.99448 7.091619 -3.656693      9.794911 
1 1 1 -23 12 32 o 23.03373 7.553400 30.07170       19.65487 24.50322       25.28167 38.57946       31.24965 21.98015 8.412961 25.68376 9.451966 -3.703609      12.65376 
1 1 1 -23 12 33 o 22.02717 9.217516 19.10233       33.31275 -4.203000      50.99602 36.45000       43.99761 22.09199 10.18040 26.00092 10.71109 -3.908928      14.77727 
1 1 1 -23 12 34 o 14.20437 6.761944 -24.17599      25.82661 20.43000       48.77559 -41.55453      30.44476 24.23475 10.65225 14.12812 6.876549 10.10663       12.67901 
1 1 1 -23 12 35 o 27.27131 8.877475 46.12421       27.17338 -7.115000      51.55405 66.60502       31.97573 21.68275 10.07671 32.13464 9.502190 -10.45189      13.85033 
1 1 1 -23 12 36 o 17.29915 7.411875 6.335625       22.40509 -14.19000      32.23493 25.51932       31.16339 17.03757 7.934836 22.57256 9.120945 -5.534990      12.08939 
1 1 1 -23 12 37 o 21.34217 7.918351 24.92951       22.00963 33.67289       30.99405 16.03528       31.26029 24.04244 9.285806 20.79008 8.826287 3.252363       12.81131 
1 1 1 -23 12 38 o 24.51081 9.386148 36.58376       31.47920 36.58376       31.47920 0.000000       0.000000 24.51081 9.386148 ?        ?        ?              ?        
1 1 1 -23 12 39 o 20.69060 8.282502 21.61393       25.44066 -7.815068      30.54615 88.25000       45.96460 17.04640 7.863824 33.54930 11.55497 -16.50290      13.97702 
1 1 1 -23 12 40 o 15.48601 7.098989 -6.675190      24.35238 -14.00130      29.12694 10.34000       44.38913 15.92886 7.459106 21.51284 9.754055 -5.583982      12.27924 
1 1 1 -23 12 41 o 19.39415 8.063866 15.88747       25.25706 11.95583       30.58345 24.32000       44.78973 19.62488 8.534243 23.09706 10.17788 -3.472176      13.28241 
1 1 1 -23 12 42 o 37.51235 6.775785 82.11741       23.96403 95.38848       34.60242 69.88532       33.22032 37.67375 9.411414 31.56680 9.761968 6.106947       13.55989 
1 1 1 -23 12 43 o 21.94745 8.106172 28.66078       23.01952 49.19593       33.38762 10.05462       31.78081 26.61177 9.773927 19.45416 8.572950 7.157612       13.00097 
1 1 1 -23 12 44 o 18.41161 7.692790 13.37250       23.15030 20.64747       32.72720 6.086620       32.75174 21.15105 9.007123 19.03673 8.526492 2.114319       12.40279 
1 1 1 -23 12 45 f 18.36148 7.725626 12.81306       23.59993 -6.335013      33.29222 32.15354       33.45908 17.61644 8.156022 23.12269 9.411408 -5.506247      12.45373 
1 1 1 -23 12 46 o 21.38690 8.626160 25.69245       27.81800 21.98532       33.94001 33.28000       48.55614 21.32302 9.128882 23.91900 10.56618 -2.595972      13.96355 
1 1 1 -23 12 47 o 18.91341 7.893728 15.52192       24.33557 33.02228       35.00764 -0.8428624     33.85279 23.15290 9.547754 18.22469 8.360200 4.928211       12.69065 
1 1 1 -23 12 48 o 30.77386 8.865346 65.07598       28.15491 50.45000       45.59071 74.09283       35.79658 25.63808 10.75949 31.13258 10.19272 -5.494503      14.82087 
1 1 1 -23 12 49 o 14.85575 6.912488 -8.558950      24.37706 -16.02046      34.54109 -1.154812      34.40805 16.49359 7.842696 17.93841 8.300351 -1.444817      11.41944 
1 1 1 -23 12 50 o 25.19185 8.662631 44.60895       25.83030 64.79213       36.87368 25.16201       36.19489 28.17656 10.28389 21.29895 9.272958 6.877615       13.84724 
1 1 1 -23 13 1  o 36.05048 3.759738 65.06345       13.07231 54.06113       22.81289 70.44229       15.95080 31.87312 7.447121 37.36644 4.448307 -5.493324      8.674505 
1 1 1 -23 13 2  o 58.49994 3.390318 169.7292       19.33025 238.2000       49.50872 157.4138       20.99681 67.70865 7.601297 56.22459 3.838248 11.48405       8.515389 
1 1 1 -23 13 3  o 41.92742 4.870044 88.93398       19.61508 77.46000       29.99192 97.51000       25.92927 37.98811 8.298573 43.48818 6.272429 -5.500072      10.40239 
1 1 1 -23 13 4  o 115.3757 3.129496 657.6638       35.30968 632.1230       52.78853 678.3434       47.49997 112.3946 4.809425 116.7574 4.162924 -4.362778      6.360857 
1 1 1 -23 13 5  o 27.69598 6.257182 40.31343       16.56159 29.75441       23.68232 50.42000       23.16937 24.50423 8.297526 30.69996 7.719309 -6.195728      11.33299 
1 1 1 -23 13 6  f 37.24076 6.332799 72.10387       22.25887 81.36000       47.08520 69.44000       25.25960 38.03870 11.59602 36.18736 7.381580 1.851345       13.74610 
1 1 1 -23 13 7  f 99.45041 3.337230 489.6584       32.44019 464.4000       58.38584 500.9381       39.01696 95.46850 6.282927 100.3491 3.980119 -4.880608      7.437507 
1 1 1 -23 13 8  o 47.22682 4.319623 111.9980       19.74740 105.1945       26.93904 119.9000       29.03239 45.13334 6.266711 48.21952 6.301761 -3.086182      8.887286 
1 1 1 -23 13 9  o 43.61878 4.525403 95.97024       19.04090 97.02069       25.73675 94.70000       28.30138 43.29443 6.254224 42.46091 7.057066 0.8335152      9.429607 
1 1 1 -23 13 10 o 22.86458 6.848817 27.24742       16.52727 46.83545       22.87568 5.858000       23.90442 29.49222 7.804194 18.72262 7.819493 10.76960       11.04762 
1 1 1 -23 13 11 o 28.64953 5.313772 42.57386       14.35284 25.02635       23.16031 53.51484       18.28795 23.00782 8.181797 31.97825 6.064414 -8.970430      10.18425 
1 1 1 -23 13 12 o 30.26064 5.076338 47.19720       14.50412 35.56261       23.81456 54.05766       18.28705 26.03991 8.295735 32.14125 6.034205 -6.101337      10.25821 
1 1 1 -23 13 13 o 22.06948 6.173131 25.58574       13.85483 13.08066       23.25094 32.47066       17.25230 20.01465 7.949015 24.72710 6.878286 -4.712448      10.51179 
1 1 1 -23 13 14 o 68.36881 3.380583 232.3035       22.55313 239.0000       39.78936 229.1337       27.37541 68.24807 6.017794 67.63795 4.154943 0.6101227      7.312824 
1 1 1 -23 13 15 o 36.65633 4.851768 68.64908       16.98120 45.13000       29.00324 80.91692       20.94693 28.88256 9.149510 39.60553 5.555872 -10.72297      10.70426 
1 1 1 -23 13 16 o 20.36086 6.754736 20.73103       15.70263 35.94000       26.55842 12.55688       19.47035 26.22872 8.786606 18.76563 7.328457 7.463097       11.44162 
1 1 1 -23 13 17 o 12.71978 5.681717 -4.977065      14.43783 9.500641       22.10431 -15.74951      19.06708 18.78943 7.648856 13.08955 6.098313 5.699886       9.782352 
1 1 1 -23 13 18 o 19.48530 6.693380 18.45083       15.42009 34.90694       23.68002 6.335200       20.31850 25.63768 8.282686 17.50665 7.251780 8.131023       11.00869 
1 1 1 -23 13 19 o 31.72766 5.570346 52.64863       16.66844 52.30289       24.74113 52.93598       22.55563 30.78357 8.102162 31.14976 7.490068 -0.3661823     11.03386 
1 1 1 -23 13 20 o 34.54748 5.548614 62.23113       18.12810 77.18769       26.99281 49.94276       24.46691 37.68102 7.581308 30.05506 8.124365 7.625963       11.11222 
1 1 1 -23 13 21 o 51.90230 3.946256 135.5590       19.89805 133.2027       29.00890 137.6528       27.34496 50.57282 5.975405 51.65626 5.492237 -1.083435      8.116042 
1 1 1 -23 13 22 o 15.77173 6.552779 4.754961       16.66029 8.516553       24.16677 1.348117       22.99901 19.03505 7.898942 17.29904 7.461811 1.736010       10.86609 
1 1 1 -23 13 23 o 34.98436 5.566007 64.14644       18.42216 43.68133       25.56166 86.26383       26.57352 27.98763 8.546368 39.97247 7.049291 -11.98485      11.07849 
1 1 1 -23 13 24 o 76.89396 4.164513 298.6284       31.22762 413.5000       66.80582 266.5116       35.32434 87.17952 7.914950 72.11392 5.036013 15.06560       9.381250 
1 1 1 -23 13 25 o 74.41190 3.472899 277.5309       25.22558 270.8609       35.68425 284.1935       35.66447 72.56532 5.055521 74.42941 4.923027 -1.864098      7.056520 
1 1 1 -23 13 26 o 42.49572 4.839939 93.43926       19.77381 70.27322       26.92607 120.5583       29.13291 35.18569 7.999771 47.41846 6.443217 -12.23277      10.27187 
1 1 1 -23 13 27 o 43.38709 4.899001 97.80345       20.44188 60.79591       27.34088 144.7145       30.78258 32.25834 8.529951 52.06225 6.159714 -19.80391      10.52151 
1 1 1 -23 13 28 o 54.25253 4.265774 150.8225       22.47082 151.6855       31.02723 149.8706       32.58722 53.23046 6.062870 52.60977 6.463815 0.6206932      8.862240 
1 1 1 -23 13 29 o 27.05186 7.140754 41.65240       19.18192 14.40146       25.37048 78.01917       29.30828 19.96203 8.168570 36.38118 8.399972 -16.41916      11.71687 
1 1 1 -23 13 30 o 19.83104 7.384983 19.22366       19.17790 2.126733       25.46389 41.63174       29.15199 17.67728 7.735350 26.50957 9.198749 -8.832285      12.01884 
1 1 1 -23 13 31 o 24.91676 7.544293 35.89216       19.97603 43.49023       26.23383 25.40722       30.81718 26.91392 8.719770 22.91457 9.134830 3.999353       12.62852 
1 1 1 -23 13 32 o 22.96509 8.120715 29.52271       22.78794 15.21216       26.43405 70.93000       44.96494 20.13799 8.299758 32.02873 11.39913 -11.89074      14.10057 
1 1 1 -23 13 33 o 28.39009 7.399955 47.08968       20.76992 65.62510       27.39557 22.03393       31.85173 32.86567 8.464603 22.25994 9.135708 10.60572       12.45434 
1 1 1 -23 13 34 o 19.15929 8.131497 10.55946       26.51889 33.79000       51.12212 2.007086       31.01862 25.93832 11.15592 18.82730 8.374093 7.111017       13.94920 
1 1 1 -23 13 35 o 51.87891 7.037524 153.0711       34.81625 0.000000       0.000000 153.0711       34.81625 ?        ?        51.87891 7.037524 ?              ?        
1 1 1 -23 13 36 o 14.39014 6.804434 -19.59511      25.30742 9.194000       52.39122 -28.35705      28.90312 22.97703 10.48733 14.63420 7.017124 8.342828       12.61841 
1 1 1 -23 13 37 o 18.24421 7.493969 12.61223       21.45584 56.22195       30.96634 -27.65539      29.75611 29.19332 9.474894 14.91775 7.144252 14.27558       11.86651 
1 1 1 -23 13 38 o 28.90091 7.659441 50.94917       22.01353 41.42003       30.73130 60.99178       31.54843 25.41169 9.369541 30.04979 9.545344 -4.638096      13.37542 
1 1 1 -23 13 39 o 20.14874 8.170074 19.43419       25.10379 10.44059       28.94157 46.76000       50.44777 19.15984 8.317265 26.35927 11.20242 -7.199427      13.95246 
1 1 1 -23 13 40 o 22.23058 8.393871 29.18651       24.95685 34.51042       30.14613 17.59000       44.49181 23.63152 9.149587 22.23652 9.950377 1.394995       13.51758 
1 1 1 -23 13 41 o 18.08440 7.836856 8.362494       25.60421 -34.99812      31.28449 96.33000       44.55973 14.54154 7.053004 35.17564 11.36173 -20.63410      13.37287 
1 1 1 -23 13 42 o 18.26974 7.615987 13.07635       22.61355 -23.31852      32.63482 46.69155       31.36382 15.81902 7.550221 26.15815 9.493818 -10.33913      12.13006 
1 1 1 -23 13 43 o 15.83538 7.076074 0.1402097      22.41619 -14.46236      32.97756 12.68235       30.56256 16.70944 7.860054 19.58303 8.523502 -2.873598      11.59442 
1 1 1 -23 13 44 o 18.22955 7.704021 12.11435       23.63531 50.19236       34.68339 -20.89995      32.29501 26.60687 9.926839 15.91187 7.571014 10.69501       12.48449 
1 1 1 -23 13 45 o 19.17661 8.210099 13.90846       27.45286 -15.18756      33.49828 73.42000       47.90780 16.68135 7.869887 29.57480 11.51100 -12.89345      13.94411 
1 1 1 -23 13 46 o 40.41644 6.614756 95.50479       25.26404 92.19484       36.64645 98.50277       34.87672 35.66050 10.06287 37.83706 9.446606 -2.176559      13.80217 
1 1 1 -23 13 47 o 14.92596 7.017114 -13.42778      26.21775 -17.83000      43.47818 -10.91239      32.86528 18.22758 8.703910 16.82354 7.892541 1.404036       11.74948 
1 1 1 -23 13 48 o 21.64013 8.349863 29.14835       25.04333 34.21532       36.09233 24.44384       34.77748 22.97142 9.602201 21.37795 9.198009 1.593475       13.29683 
1 1 1 -23 13 49 o 13.83241 6.567006 -15.95068      24.03045 -54.62882      34.77961 19.38091       33.24095 13.69831 6.797272 20.22158 8.843607 -6.523273      11.15403 
1 1 1 -23 14 1  o 62.96595 3.368073 196.7099       20.68285 243.0000       50.16188 187.2281       22.70251 68.20815 7.644693 61.31076 3.801655 6.897388       8.537794 
1 1 1 -23 14 2  o 78.44958 2.909910 304.0821       22.30608 274.8279       34.78555 324.5120       29.06951 73.95655 4.831707 80.81757 3.684424 -6.861015      6.076214 
1 1 1 -23 14 3  o 49.38042 3.249126 121.0729       15.61736 105.2344       26.47040 129.5300       19.34259 45.17956 6.144775 50.92369 3.910430 -5.744129      7.283525 
1 1 1 -23 14 4  o 19.37141 6.682896 17.74150       15.37723 -2.739607      21.58198 38.86000       21.91523 16.30408 7.128213 27.02410 7.832543 -10.72001      10.59057 
1 1 1 -23 14 5  o 26.17718 5.895351 35.98912       14.74125 69.33000       44.93510 31.96820       15.60486 35.29952 11.41014 24.60379 6.414750 10.69574       13.08970 
1 1 1 -23 14 6  o 16.27828 6.053691 10.68190       12.87831 -17.51055      23.29041 23.09782       15.45611 14.69693 6.810410 21.26835 6.671485 -6.571417      9.533646 
1 1 1 -23 14 7  o 32.14902 5.564612 53.54920       16.87717 46.33250       24.39907 60.17000       23.37002 29.29856 8.190875 33.56002 7.320764 -4.261459      10.98563 
1 1 1 -23 14 8  o 45.39156 4.435309 103.8390       19.45515 67.33539       26.83253 144.3000       28.24961 35.31042 7.954911 53.20099 5.504242 -17.89057      9.673535 
1 1 1 -23 14 9  o 73.67458 3.690277 270.1695       26.52761 240.8995       34.33767 313.5000       41.77888 69.02271 5.118879 78.61655 5.463197 -9.593849      7.486618 
1 1 1 -23 14 10 f 81.21606 3.065320 326.5735       24.32449 293.9543       37.41843 350.4462       32.01109 76.29942 5.038438 83.83715 3.911620 -7.537735      6.378607 
1 1 1 -23 14 11 o 49.95805 3.578814 124.5010       17.38458 65.45341       27.75033 162.6442       22.30363 34.62788 8.296123 57.00009 4.023400 -22.37222      9.220271 
1 1 1 -23 14 12 o 58.94324 3.296345 172.6762       18.94259 185.8068       31.31911 165.1022       23.78652 60.41680 5.351252 57.33547 4.269031 3.081326       6.845474 
1 1 1 -23 14 13 o 43.88562 4.114707 96.91948       17.46918 96.42000       31.59286 97.13945       20.96595 42.29897 7.921541 43.65694 4.996194 -1.357979      9.365509 
1 1 1 -23 14 14 o 49.58337 3.898378 123.2682       18.76816 106.1000       32.66503 131.7289       22.93108 44.42353 7.796368 51.01823 4.642706 -6.594696      9.074033 
1 1 1 -23 14 15 o 37.69666 4.585013 72.34496       16.57050 77.57796       26.61195 69.03121       21.17681 37.97074 7.426298 36.25538 6.189350 1.715359       9.667366 
1 1 1 -23 14 16 o 73.44964 3.278062 268.2130       23.50809 275.9401       36.63421 262.8037       30.65110 73.69304 5.110374 72.27612 4.352737 1.416924       6.712842 
1 1 1 -23 14 17 o 48.19619 3.934923 116.7681       18.40188 136.5409       28.74904 103.0441       23.95133 51.38146 5.818531 44.64969 5.603389 6.731766       8.077950 
1 1 1 -23 14 18 o 81.87482 3.252096 333.3497       26.01089 329.9572       39.84452 335.8692       34.33681 80.54900 5.079482 81.69967 4.308952 -1.150673      6.660947 
1 1 1 -23 14 19 o 21.11184 6.833502 22.95246       16.11385 48.33559       24.44072 3.435032       21.43151 29.55536 8.173717 17.22893 7.311036 12.32643       10.96635 
1 1 1 -23 14 20 o 11.05781 5.249790 -17.52808      15.35776 -6.156681      22.39946 -27.61579      21.09729 15.82152 7.071407 12.46387 5.981364 3.357649       9.261831 
1 1 1 -23 14 21 o 44.03429 4.528006 98.82831       19.23878 99.00600       28.63238 98.68206       25.97657 42.91739 7.061176 43.21569 6.328446 -0.2983093     9.482059 
1 1 1 -23 14 22 o 28.73485 6.493914 44.63372       17.83374 40.82561       25.74798 48.14513       24.72457 27.16545 8.622625 29.30762 8.263908 -2.142176      11.94328 
1 1 1 -23 14 23 o 82.32236 4.083760 341.8369       32.80397 423.4000       69.94215 318.8352       37.14260 87.83662 8.230870 79.03503 4.824142 8.801598       9.540418 
1 1 1 -23 14 24 o 25.49838 6.975211 35.83369       17.90908 28.27684       25.19821 43.54737       25.45832 23.54485 8.514635 27.71527 8.541391 -4.170414      12.06045 
1 1 1 -23 14 25 o 88.52168 4.051188 396.5859       35.00946 388.6000       67.98108 399.4683       40.84178 83.20375 8.464899 88.30848 4.742332 -5.104729      9.702795 
1 1 1 -23 14 26 f 17.28297 6.937245 10.07768       17.89807 -18.12167      24.36798 43.11166       26.37427 14.63073 6.841926 27.31893 8.733146 -12.68819      11.09413 
1 1 1 -23 14 27 o 64.03915 3.858892 208.1573       24.07658 189.2266       33.55824 228.2383       34.56282 59.71484 5.814870 65.96527 5.400104 -6.250431      7.935605 
1 1 1 -23 14 28 o 39.97237 5.333979 84.70368       20.34933 67.78187       27.49287 105.2069       30.26270 33.88626 8.344893 43.18878 7.426311 -9.302521      11.17083 
1 1 1 -23 14 29 o 23.52658 7.340644 31.31894       18.73786 21.79904       24.85480 43.85394       28.52044 21.40780 8.302609 27.07785 9.105739 -5.670044      12.32265 
1 1 1 -23 14 30 o 14.88076 6.544702 -0.7805111     18.43751 -3.376754      24.19811 2.812919       28.46842 16.37461 7.331946 18.52089 8.139501 -2.146273      10.95486 
1 1 1 -23 14 31 o 18.17936 7.479395 11.05485       21.41726 19.26899       24.97547 -11.77000      41.63289 20.71366 8.234672 19.70496 9.122149 1.008699       12.28916 
1 1 1 -23 14 32 o 35.29749 6.417457 69.42583       21.35591 94.34523       28.40159 37.00739       32.39440 40.48615 7.440997 25.23210 9.555072 15.25406       12.11065 
1 1 1 -23 14 33 o 19.42749 7.503606 17.78717       20.23896 2.234970       26.64598 38.99416       31.11539 17.80221 7.847240 25.51694 9.424454 -7.714725      12.26375 
1 1 1 -23 14 34 o 24.56175 8.124274 36.03896       22.72032 6.259000       32.88998 63.22159       31.42298 19.72075 8.704563 31.20368 9.465095 -11.48293      12.85914 
1 1 1 -23 14 35 o 33.41483 8.312125 68.59296       27.07484 -20.70000      53.16107 99.86591       31.46078 20.62733 9.785540 40.69154 8.182690 -20.06422      12.75591 
1 1 1 -23 14 36 o 13.56595 6.512430 -26.60034      25.05722 17.93000       53.97658 -38.83297      28.29029 23.92806 10.81164 13.53515 6.597044 10.39291       12.66541 
1 1 1 -23 14 37 o 39.64899 7.462868 93.09880       27.90051 65.20000       58.21573 101.4177       31.78919 29.08055 12.17819 40.62463 8.275708 -11.54408      14.72398 
1 1 1 -23 14 38 o 15.42192 6.904186 -1.363973      21.44706 12.15848       31.12645 -13.58692      29.59305 19.80926 8.612097 16.11580 7.537530 3.693460       11.44476 
1 1 1 -23 14 39 o 11.27904 5.530140 -33.55903      20.76735 -25.14929      29.43490 -41.89441      29.30448 14.86587 7.115699 13.44884 6.588862 1.417027       9.697745 
1 1 1 -23 14 40 o 14.79842 6.940402 -14.35332      25.38144 -8.215568      31.11073 -26.57000      43.89165 17.03600 7.886238 18.05631 8.655175 -1.020311      11.70918 
1 1 1 -23 14 41 o 24.86613 8.741856 40.11726       26.37816 51.77881       33.03465 19.60000       43.81787 27.19627 9.760182 22.28329 9.929512 4.912981       13.92323 
1 1 1 -23 14 42 o 42.52889 7.071616 106.9561       28.40469 97.12304       35.63131 124.1000       47.04812 37.60645 9.636738 39.98905 11.44139 -2.382599      14.95901 
1 1 1 -23 14 43 o 14.94561 6.990336 -12.62334      25.45411 -12.20804      31.60521 -13.39000      42.94146 16.60637 7.774299 18.77958 8.875057 -2.173206      11.79857 
1 1 1 -23 14 44 f 31.45084 8.849545 66.10953       28.38408 81.69632       35.16537 36.97000       48.08151 33.74353 9.961473 24.48143 10.67266 9.262102       14.59920 
1 1 1 -23 14 45 o 25.26292 8.336929 41.78811       23.92969 65.86327       34.55037 19.59165       33.17492 29.83121 10.02214 20.83042 8.973227 9.000790       13.45221 
1 1 1 -23 14 46 o 26.91120 8.794725 49.13275       26.65609 49.25000       44.37068 49.06654       33.34386 25.79621 10.70369 26.17925 9.739902 -0.3830357     14.47186 
1 1 1 -23 14 47 o 21.44406 8.243152 28.08683       24.34239 44.42099       35.23095 13.16574       33.67258 24.85996 9.812851 19.73523 8.754423 5.124725       13.15036 
1 1 1 -23 14 48 o 24.99612 8.420489 42.69202       24.38895 40.70516       34.83733 44.60184       34.15514 23.88001 9.645631 24.62174 9.679305 -0.7417316     13.66481 
1 1 1 -23 14 49 o 13.71616 6.515574 -16.05156      23.72299 -12.08282      34.05761 -19.79193      33.06324 16.63662 7.874698 15.73350 7.533821 0.9031277      10.89813 
1 1 1 -23 15 1  o 57.87697 3.141628 166.1271       17.73109 110.8514       29.07558 198.8547       22.37266 46.12762 6.629872 63.20230 3.631708 -17.07468      7.559399 
1 1 1 -23 15 2  o 47.47993 4.650223 113.8578       21.33492 77.69000       32.93815 140.0000       28.00326 37.55422 9.064686 52.37265 5.546792 -14.81842      10.62711 
1 1 1 -23 15 3  o 59.87992 3.583659 178.4926       20.90848 118.3000       48.90796 191.9536       23.12854 45.47650 11.08865 62.03199 3.827779 -16.55549      11.73073 
1 1 1 -23 15 4  o 50.00702 3.406533 124.4592       16.57483 86.39275       27.84636 145.3458       20.62675 40.34678 7.320563 53.91409 3.935720 -13.56731      8.311470 
1 1 1 -23 15 5  o 55.35188 5.629096 156.4850       30.07458 156.4850       30.07458 0.000000       0.000000 55.35188 5.629096 ?        ?        ?              ?        
1 1 1 -23 15 6  o 89.48148 3.621087 398.0841       31.65048 377.4475       41.46278 426.9000       48.99540 86.56042 4.913832 91.75959 5.480000 -5.199173      7.360445 
1 1 1 -23 15 7  o 41.72460 4.677560 88.26018       18.77522 60.44795       26.61775 115.8000       26.48708 33.30680 8.216247 47.44952 5.824969 -14.14272      10.07159 
1 1 1 -23 15 8  o 48.20410 4.243429 116.8551       19.81782 102.1354       27.92084 131.8000       28.13362 44.17754 6.663961 50.66494 5.776033 -6.487400      8.818784 
1 1 1 -23 15 9  o 73.71608 3.097692 269.3305       22.30169 262.5106       36.03291 273.5652       28.39352 71.98636 5.147767 74.01208 3.933444 -2.025719      6.478540 
1 1 1 -23 15 10 o 58.88484 3.292821 172.3641       18.90360 166.7245       30.96922 175.7131       23.86536 57.07990 5.615580 59.19149 4.145306 -2.111599      6.979849 
1 1 1 -23 15 11 o 46.94817 3.871511 110.5020       17.63323 108.2000       32.62143 111.4522       20.95906 44.95791 7.689086 46.91663 4.623967 -1.958717      8.972353 
1 1 1 -23 15 12 o 38.07772 4.538955 73.70105       16.58471 70.42000       31.10241 75.00461       19.60435 35.56419 8.944469 38.13194 5.403571 -2.567753      10.44998 
1 1 1 -23 15 13 o 28.34896 5.945345 42.46656       15.96986 48.58000       29.44762 39.91945       19.00776 29.71207 9.191389 27.21025 7.072462 2.501823       11.59747 
1 1 1 -23 15 14 o 43.43714 4.181100 95.23864       17.55762 73.31215       28.55685 108.5647       22.26262 36.53013 8.189282 46.10937 5.013265 -9.579239      9.601935 
1 1 1 -23 15 15 o 39.36805 4.509393 78.83698       17.06351 76.02881       26.84557 80.74059       22.10287 37.44118 7.585396 39.32911 5.925346 -1.887932      9.625381 
1 1 1 -23 15 16 o 47.23660 4.030516 112.3847       18.45783 115.5241       28.88708 110.2185       23.99502 46.89764 6.464624 46.26535 5.399998 0.6322823      8.423263 
1 1 1 -23 15 17 o 28.62475 6.149629 43.65103       16.71652 24.99705       26.14006 56.55823       21.74386 23.23467 8.627743 32.33445 7.067840 -9.099787      11.15313 
1 1 1 -23 15 18 o 27.96169 6.180027 41.78276       16.46384 31.52208       25.48159 49.13560       21.57080 24.74909 8.599494 29.96395 7.399247 -5.214859      11.34461 
1 1 1 -23 15 19 o 43.81872 4.455563 97.69525       18.84485 81.16904       28.48757 110.5541       25.12865 38.41699 7.841418 46.11504 5.687357 -7.698055      9.686788 
1 1 1 -23 15 20 o 61.84613 3.642641 191.7161       21.95370 171.0463       32.68868 208.6994       29.63054 57.31248 5.911682 64.01241 4.763136 -6.699928      7.591802 
1 1 1 -23 15 21 o 43.06544 4.665159 94.94307       19.35168 73.81676       28.50988 112.9925       26.35212 36.29868 8.216249 46.43004 5.933864 -10.13136      10.13496 
1 1 1 -23 15 22 o 26.33439 6.771544 37.95385       17.55173 25.34328       25.99244 48.52362       23.79647 23.01870 8.592487 29.36249 8.043674 -6.343790      11.76994 
1 1 1 -23 15 23 o 22.33110 7.069509 26.80375       17.31777 12.09254       24.67676 41.08023       24.30942 19.69786 8.057786 26.99439 8.351164 -7.296530      11.60473 
1 1 1 -23 15 24 o 32.38818 6.100158 56.54075       18.62968 75.27216       26.76462 38.93620       25.94707 36.59412 7.715544 26.29115 8.681454 10.30297       11.61453 
1 1 1 -23 15 25 o 23.35821 7.209659 30.15240       18.13022 21.36283       25.11923 39.71064       26.19456 21.63413 8.358518 26.37285 8.723342 -4.738716      12.08145 
1 1 1 -23 15 26 f 36.92158 5.574681 72.65321       19.51977 70.02695       27.15921 75.45933       28.07375 34.73763 8.131926 36.08905 8.141643 -1.351418      11.50715 
1 1 1 -23 15 27 o 38.47903 5.459020 78.86758       19.98460 54.73189       27.31954 106.6490       29.31035 30.18703 8.743907 43.72943 7.090238 -13.54239      11.25733 
1 1 1 -23 15 28 o 60.81261 4.029565 189.0735       23.85073 185.0684       33.05603 193.4226       34.44701 58.83604 5.815853 60.05310 5.937803 -1.217056      8.311537 
1 1 1 -23 15 29 o 19.63297 7.438548 18.42470       19.63855 -19.72647      25.68270 72.13895       30.47415 14.70667 6.923697 34.30138 8.974690 -19.59471      11.33502 
1 1 1 -23 15 30 o 16.49046 7.183673 2.115391       21.74905 -20.72435      25.61363 61.14000       41.17581 14.53884 6.865936 30.33112 10.89528 -15.79228      12.87820 
1 1 1 -23 15 31 o 29.61982 7.115528 50.66805       20.37108 49.33166       26.64475 52.54821       31.60407 28.31538 8.740228 28.76500 9.583993 -0.4496212     12.97091 
1 1 1 -23 15 32 o 11.40917 5.573567 -32.88683      20.52583 -54.76000      28.37610 -8.881818      29.72678 12.52394 6.201348 17.09014 7.837679 -4.566202      9.994295 
1 1 1 -23 15 33 o 13.24108 6.236047 -16.62777      20.86932 -4.963000      28.88811 -29.36062      30.18173 17.28785 7.850413 14.99150 7.183727 2.296350       10.64119 
1 1 1 -23 15 34 o 25.87145 7.579456 39.94712       20.42419 43.31873       27.58659 35.85707       30.38394 26.32986 8.954963 24.55611 9.263947 1.773750       12.88457 
1 1 1 -23 15 35 o 17.26218 7.186343 9.553899       20.09498 5.827142       27.71627 13.68388       29.17717 18.41211 8.063221 19.99550 8.509452 -1.583389      11.72290 
1 1 1 -23 15 36 o 16.79191 7.501428 -0.6611045E-01 25.17368 57.34000       54.74257 -15.46117      28.34894 28.17396 11.80467 15.68140 7.348238 12.49256       13.90492 
1 1 1 -23 15 37 o 44.00694 6.860066 112.0845       28.58671 65.83000       57.95649 126.9558       32.86241 28.78767 12.10930 46.18068 7.529138 -17.39301      14.25914 
1 1 1 -23 15 38 o 29.72297 8.659229 57.49970       26.72340 46.96000       52.99833 61.09300       30.94531 26.30543 11.33675 29.90384 9.448083 -3.598404      14.75765 
1 1 1 -23 15 39 o 30.01983 8.622099 58.81854       26.66912 4.067000       53.54568 76.88136       30.75523 21.89504 10.20699 34.01541 9.071102 -12.12037      13.65531 
1 1 1 -23 15 40 o 14.69035 6.711105 -5.875353      21.51711 -54.73255      31.97481 34.56098       29.08905 13.33080 6.597643 23.58613 9.025091 -10.25533      11.17950 
1 1 1 -23 15 41 o 20.47628 7.963478 22.92144       22.91497 34.66263       34.03186 13.18281       30.99407 23.65097 9.540462 19.74580 8.589035 3.905170       12.83713 
1 1 1 -23 15 42 o 20.69297 8.419319 22.25966       26.76493 19.05495       32.65429 28.82000       46.72066 20.83212 8.937207 23.46279 10.36461 -2.630671      13.68571 
1 1 1 -23 15 43 o 19.18404 8.554382 7.967572       32.57997 7.967572       32.57997 0.000000       0.000000 19.18404 8.554382 ?        ?        ?              ?        
1 1 1 -23 15 44 o 20.46357 8.361756 21.80300       26.53734 23.71721       33.44596 18.55000       43.60038 21.51881 9.132405 21.83453 9.804137 -0.3157215     13.39858 
1 1 1 -23 15 45 o 13.39233 6.448566 -25.21062      25.00072 -25.09000      40.68520 -25.28379      31.68968 17.25951 8.288901 15.26187 7.325842 1.997635       11.06227 
1 1 1 -23 15 46 o 41.06516 6.543554 99.01430       25.42035 118.5605       37.22503 81.93449       34.79725 41.49064 9.386222 33.31503 9.927939 8.175613       13.66255 
1 1 1 -23 15 47 o 18.57785 7.796168 15.48329       23.93448 30.95357       34.22161 0.6698294      33.48726 22.30750 9.339142 18.02943 8.286939 4.278063       12.48571 
1 1 1 -23 15 48 f 21.03217 8.176717 27.78279       24.15179 22.65237       34.53249 32.69530       33.79115 20.76057 9.047755 22.27578 9.299730 -1.515205      12.97486 
1 1 1 -23 16 1  o 42.12313 4.977835 90.40278       20.12819 68.11416       27.98244 114.3000       28.97461 35.33331 8.242556 46.83925 6.494268 -11.50594      10.49358 
1 1 1 -23 16 2  f 20.09687 7.174662 18.59850       17.82617 1.446000       42.89112 22.18000       19.59909 23.09514 10.07403 21.52481 7.537729 1.570332       12.58187 
1 1 1 -23 16 3  o 20.30477 6.027027 21.38503       12.84428 30.37514       23.78882 17.68579       15.25974 24.50134 8.315982 19.26417 6.656800 5.237167       10.65216 
1 1 1 -23 16 4  o 22.94182 6.583734 27.74986       15.55605 41.04841       24.06918 18.21000       20.38591 27.60913 8.263904 20.54271 7.620873 7.066422       11.24143 
1 1 1 -23 16 5  o 18.59947 7.768794 6.102489       23.59874 6.102489       23.59874 0.000000       0.000000 18.59947 7.768794 ?        ?        ?              ?        
1 1 1 -23 16 6  o 67.95639 3.724504 230.3403       24.67978 216.5527       33.54958 246.6000       36.43348 65.26089 5.297553 69.62234 5.388110 -4.361450      7.556176 
1 1 1 -23 16 7  o 47.08284 3.593889 110.7597       16.43762 75.66964       27.76643 129.6926       20.39557 37.39042 7.837728 50.80769 4.136868 -13.41727      8.862486 
1 1 1 -23 16 8  o 15.83873 6.534361 4.964134       16.40650 -5.462548      24.06434 14.02000       22.42672 16.66261 7.395585 19.95114 7.843272 -3.288532      10.78015 
1 1 1 -23 16 9  o 93.02783 3.082792 428.9695       28.03258 405.3035       43.63436 445.6020       36.58012 89.50422 5.000448 94.42780 3.966499 -4.923584      6.382601 
1 1 1 -23 16 10 o 50.58725 3.795562 128.1878       18.65714 113.5000       35.89649 133.6241       21.83859 45.65345 8.340126 51.46328 4.376803 -5.809837      9.418817 
1 1 1 -23 16 11 o 31.49053 5.295442 51.49255       15.74391 -0.7612000     28.75360 73.86636       18.81496 18.91020 8.248454 37.87722 5.212906 -18.96702      9.757632 
1 1 1 -23 16 12 o 85.21876 3.361593 361.2148       27.98555 391.7000       52.01735 348.7964       33.19984 87.15530 6.136677 83.42403 4.078087 3.731262       7.368147 
1 1 1 -23 16 13 o 67.33039 3.335301 225.7211       21.91283 200.9493       34.89276 241.8532       28.15801 62.46023 5.772514 69.37415 4.165847 -6.913921      7.118722 
1 1 1 -23 16 14 o 78.92097 3.231705 309.7127       24.91212 285.3742       38.34906 327.4823       32.76776 74.77687 5.273212 80.74378 4.160046 -5.966911      6.716602 
1 1 1 -23 16 15 o 26.88486 6.325771 38.72409       16.36705 12.29995       26.01046 56.04521       21.05889 20.38482 8.297620 32.25379 6.880285 -11.86897      10.77909 
1 1 1 -23 16 16 o 34.28618 5.404324 61.19317       17.53714 60.99404       28.30438 61.31725       22.34244 32.96593 8.660934 33.69835 7.002463 -0.7324219     11.13761 
1 1 1 -23 16 17 o 14.35049 6.166041 0.4499909      15.58861 -1.590367      24.25598 1.885692       20.34688 17.22162 7.542457 16.50543 7.067333 0.7161922      10.33614 
1 1 1 -23 16 18 o 18.68845 6.826240 15.79379       16.25134 16.30675       25.57244 15.44627       21.04827 21.00870 8.338799 19.74123 7.644763 1.267475       11.31273 
1 1 1 -23 16 19 o 61.54621 3.590069 189.8258       21.53380 186.1738       32.74070 192.6099       28.58697 59.93535 5.647394 61.44459 4.790957 -1.509239      7.405831 
1 1 1 -23 16 20 o 15.55168 6.478306 4.513780       16.34512 -17.84824      24.43007 22.63608       21.99257 14.85184 6.913816 21.73863 7.940896 -6.886787      10.52894 
1 1 1 -23 16 21 o 36.08524 5.328461 68.13519       18.25534 70.61861       27.05915 66.06065       24.73149 35.45000 7.989976 34.49012 7.536788 0.9598732      10.98376 
1 1 1 -23 16 22 o 15.53115 6.517269 4.149162       16.72461 -15.68287      24.13565 22.46806       23.19663 14.93116 6.923779 21.74196 8.116965 -6.810798      10.66883 
1 1 1 -23 16 23 o 46.27299 4.520153 109.9988       20.21248 94.76270       29.14977 124.1083       28.05139 41.28534 7.488996 48.30711 6.065893 -7.021770      9.637433 
1 1 1 -23 16 24 o 54.66406 4.081479 152.2242       21.68101 144.4028       31.02094 159.6934       30.31443 51.92058 6.228079 54.99095 5.715124 -3.070370      8.452906 
1 1 1 -23 16 25 o 26.53067 7.049135 39.74487       18.61533 71.39928       26.54912 9.132404       26.10851 35.20998 7.898275 19.19004 8.102852 16.01994       11.31543 
1 1 1 -23 16 26 o 46.55215 4.651008 112.5840       20.90962 82.95257       28.99905 144.6725       30.17749 37.75219 8.090839 51.83381 6.062274 -14.08162      10.11004 
1 1 1 -23 16 27 o 55.19087 4.228165 156.5743       22.66761 115.0105       30.74328 206.0873       33.55458 45.28263 7.174957 62.31767 5.559218 -17.03504      9.076613 
1 1 1 -23 16 28 o 22.04777 7.976413 26.13649       22.11606 19.14153       25.70357 46.08000       43.40118 20.86527 8.334356 27.68220 10.90234 -6.816933      13.72306 
1 1 1 -23 16 29 o 19.80071 7.753114 17.75185       21.83969 15.06687       25.89928 24.36000       40.63094 19.99891 8.226098 23.88714 10.09830 -3.888229      13.02476 
1 1 1 -23 16 30 o 30.45908 7.038908 53.35867       20.56483 60.24062       27.67606 44.87464       30.72906 31.25328 8.718569 26.93609 9.437957 4.317186       12.84868 
1 1 1 -23 16 31 o 37.64304 6.604404 79.50593       23.44759 92.31000       34.47143 68.48062       31.98752 38.32439 9.287516 32.70032 9.458376 5.624069       13.25590 
1 1 1 -23 16 32 f 19.44459 7.724689 16.83969       21.96280 19.72000       31.82519 14.22063       30.34764 21.66529 9.033500 20.48588 8.696791 1.179411       12.53947 
1 1 1 -23 16 33 o 22.35699 7.737774 28.71465       20.62140 7.308315       27.80977 54.86176       30.73534 18.75368 8.146884 29.05573 9.440183 -10.30204      12.46951 
1 1 1 -23 16 34 o 28.18403 7.379211 47.38765       20.59286 58.69428       28.61763 35.24604       29.65551 30.17205 9.006228 24.24181 9.150710 5.930243       12.83930 
1 1 1 -23 16 35 o 25.89697 7.599857 40.57272       20.51928 11.81455       28.79497 70.24213       29.24761 19.53371 8.386532 33.12360 8.851706 -13.58989      12.19371 
1 1 1 -23 16 36 o 14.86561 6.856861 -9.015341      23.21292 -20.22530      28.15848 14.76000       41.00819 15.05117 7.134857 21.69788 9.641028 -6.646709      11.99398 
1 1 1 -23 16 37 o 31.33193 8.302184 62.35101       25.86612 40.42000       53.10353 69.17274       29.61703 25.55504 11.17689 32.34454 9.017682 -6.789497      14.36111 
1 1 1 -23 16 38 o 17.84485 7.749906 7.870406       25.15104 1.517000       51.17265 9.894008       28.88000 21.35943 9.964262 18.92562 8.260664 2.433809       12.94315 
1 1 1 -23 16 39 o 18.86767 7.990603 13.10341       25.51569 81.47000       52.13716 -8.427822      29.25903 30.97225 12.02137 16.53957 7.653458 14.43268       14.25092 
1 1 1 -23 16 40 o 14.09801 6.702730 -19.60859      25.21314 -26.85000      54.52882 -17.63939      28.43541 19.61952 9.466181 15.23848 7.207705 4.381032       11.89788 
1 1 1 -23 16 41 o 31.32090 7.558649 60.61296       22.90588 66.70215       34.02433 55.56557       30.97727 30.35533 9.937136 28.15696 9.489928 2.198366       13.74065 
1 1 1 -23 16 42 o 17.25574 7.808883 0.4978289E-01  28.28682 -36.82000      38.25617 44.52000       42.01466 15.98994 7.765713 25.32870 10.45383 -9.338760      13.02263 
1 1 1 -23 16 43 o 17.19341 7.670317 3.097990       26.22579 9.317329       31.51100 -10.92000      47.30782 19.14370 8.481613 19.57750 9.270935 -0.4337997     12.56535 
1 1 1 -23 16 44 o 18.95623 8.310018 11.02176       29.50624 19.00000       39.52998 0.9842000      44.33913 21.39355 9.487942 20.04559 9.325753 1.347960       13.30379 
1 1 1 -23 16 45 o 25.90565 8.783632 45.67089       26.53901 32.36508       32.74122 71.16000       45.31600 22.79686 9.298216 29.08356 11.22936 -6.286699      14.57928 
1 1 1 -23 16 46 o 23.12275 8.717603 35.44235       26.89609 29.65725       33.71984 45.56000       44.59332 22.14640 9.270971 24.78815 10.53345 -2.641752      14.03226 
1 1 1 -23 16 47 o 34.12496 7.713092 74.74448       25.15571 63.61898       36.03685 85.31802       35.13152 28.14708 10.18202 33.40410 9.980558 -5.257021      14.25781 
1 1 1 -23 16 48 o 14.69687 6.827428 -7.356252      23.63068 -12.70244      33.76900 -2.226204      33.07933 16.48594 7.814527 17.40756 8.083671 -0.9216175     11.24333 
1 1 1 -23 17 1  o 26.26871 5.478839 36.20705       13.63082 31.57160       26.78875 37.82647       15.83379 25.11383 8.811148 26.68288 6.183508 -1.569056      10.76439 
1 1 1 -23 17 2  o 41.69077 5.015140 88.82657       20.05533 74.74000       33.64564 96.59000       24.97773 36.48293 9.372507 43.08694 6.092204 -6.604008      11.17850 
1 1 1 -23 17 3  o 57.92968 4.758797 169.8705       26.74619 165.8000       52.46173 171.3000       31.09012 54.17197 10.26950 57.83017 5.560864 -3.658192      11.67843 
1 1 1 -23 17 4  o 54.50025 4.068774 149.1329       21.54879 107.2965       29.95556 194.0000       31.02156 45.02379 7.026570 61.74162 5.180832 -16.71783      8.730046 
1 1 1 -23 17 5  o 63.08448 3.855102 199.0966       23.69114 157.7561       32.16784 248.1000       35.02254 55.23763 6.048269 69.87132 5.157202 -14.63370      7.948478 
1 1 1 -23 17 6  o 75.46771 3.061809 282.4972       22.57059 270.2287       37.03965 289.7435       28.46618 72.88786 5.226340 76.14670 3.831506 -3.258842      6.480360 
1 1 1 -23 17 7  o 32.03589 4.801328 52.74115       14.59257 30.19338       26.61663 62.43110       17.44866 24.69180 8.772058 34.74362 5.298131 -10.05183      10.24789 
1 1 1 -23 17 8  o 31.43641 5.073054 51.11055       15.07891 26.84000       30.69420 58.83131       17.31196 24.51387 9.296847 33.65112 5.441443 -9.137249      10.77222 
1 1 1 -23 17 9  o 52.45478 3.625297 137.6081       18.49929 170.8000       37.70664 127.0862       21.22991 56.98109 6.900987 50.15642 4.367815 6.824677       8.167094 
1 1 1 -23 17 10 o 19.45924 6.417797 19.00298       14.18140 33.10000       28.46241 14.34766       16.35623 25.58490 9.072930 18.35687 6.823162 7.228031       11.35225 
1 1 1 -23 17 11 o 23.50428 6.272274 29.49337       14.69826 47.71167       25.76485 20.70382       17.89605 29.36336 8.487328 20.64396 7.204638 8.719398       11.13290 
1 1 1 -23 17 12 o 18.32021 6.511978 15.58052       14.66997 -11.66821      24.68778 30.45361       18.23936 15.87238 7.227017 23.88271 7.204104 -8.010326      10.20436 
1 1 1 -23 17 13 o 80.27799 3.246102 320.6093       25.45472 310.1365       40.23444 327.5987       32.86899 77.90637 5.307871 80.72518 4.173962 -2.818810      6.752441 
1 1 1 -23 17 14 o 46.46606 4.121737 109.0437       18.55231 97.47163       29.97381 116.2300       23.62059 42.45460 7.486417 47.58247 5.153687 -5.127869      9.088836 
1 1 1 -23 17 15 o 26.49319 6.403348 37.80192       16.41953 32.48975       26.33823 41.17886       20.99967 25.04714 8.740378 27.38713 7.577436 -2.339981      11.56770 
1 1 1 -23 17 16 o 48.66898 4.072938 119.6786       19.22511 128.0684       30.62948 114.2246       24.69564 49.21246 6.518717 46.95514 5.475832 2.257324       8.513424 
1 1 1 -23 17 17 o 29.68553 6.117423 47.13976       17.18395 7.411448       26.48565 76.02026       22.58203 19.43163 8.180607 37.80639 6.325559 -18.37476      10.34094 
1 1 1 -23 17 18 o 26.52195 6.671703 38.28830       17.30191 51.86581       27.53827 29.43316       22.23946 30.21137 8.787025 23.68160 8.040580 6.529770       11.91061 
1 1 1 -23 17 19 o 19.25750 6.943738 17.51426       16.74289 42.13461       26.78685 1.728541       21.44898 27.42595 8.804635 16.75716 7.216839 10.66879       11.38439 
1 1 1 -23 17 20 o 21.15366 7.047071 23.36899       17.08718 20.50072       26.20311 25.49111       22.53862 21.84385 8.509928 22.46721 8.062024 -0.6233616     11.72242 
1 1 1 -23 17 21 o 65.05780 3.712560 213.3324       23.54358 202.3456       35.11027 222.3089       31.73611 62.04618 5.850187 65.67303 4.973953 -3.626850      7.678860 
1 1 1 -23 17 22 o 31.49791 6.323897 54.05322       18.81918 51.31218       27.62964 56.42538       25.70331 29.58358 8.853859 31.22998 8.276408 -1.646406      12.11981 
1 1 1 -23 17 23 o 79.76232 3.512694 320.3665       27.35759 296.1970       39.55178 342.5375       37.88121 75.26144 5.404915 81.53084 4.767547 -6.269394      7.207122 
1 1 1 -23 17 24 o 25.36489 7.217816 36.48533       18.77406 9.491417       26.11622 65.35259       27.00724 19.22791 8.110666 33.34860 8.305260 -14.12069      11.60863 
1 1 1 -23 17 25 o 35.78120 5.747996 69.03013       19.44997 43.77895       26.95553 96.45641       28.09251 27.12245 8.842700 41.43883 7.186280 -14.31638      11.39456 
1 1 1 -23 17 26 f 30.40967 6.755937 52.06189       19.58706 33.79578       26.66050 73.48414       28.87206 24.44255 8.768593 35.06538 8.501094 -10.62283      12.21298 
1 1 1 -23 17 27 o 37.58641 6.854588 79.32981       24.28955 71.81168       28.89938 97.42000       44.82858 34.47279 8.594745 37.67674 11.27816 -3.203949      14.17979 
1 1 1 -23 17 28 o 22.19567 8.028762 26.86425       22.40628 28.65907       26.29019 22.10000       42.83316 23.00064 8.630121 23.81863 10.22742 -0.8179913     13.38204 
1 1 1 -23 17 29 o 32.94065 6.640961 61.24874       20.67238 64.64044       27.96527 57.16249       30.69541 32.42654 8.651008 29.98244 9.401304 2.444092       12.77593 
1 1 1 -23 17 30 o 18.70532 7.549428 13.95826       21.32194 -15.22000      30.69308 41.17223       29.64194 16.60218 7.735640 25.98015 9.254314 -9.377970      12.06161 
1 1 1 -23 17 31 f 19.71108 7.687892 18.38391       21.40503 8.200000       30.73353 27.97738       29.82928 19.59223 8.537125 22.95741 9.039336 -3.365181      12.43351 
1 1 1 -23 17 32 o 16.59313 7.014218 6.827033       19.60038 -0.3914653     26.13999 16.09799       29.62403 17.13218 7.649385 20.57546 8.656327 -3.443287      11.55184 
1 1 1 -23 17 33 o 11.26687 5.473759 -27.35702      19.05005 -20.39877      25.55204 -36.06446      28.58386 14.34947 6.800580 13.83564 6.717865 0.5138226      9.559163 
1 1 1 -23 17 34 o 18.08305 7.269180 13.73818       19.68277 -1.732664      27.04156 31.16975       28.70404 17.06691 7.687335 23.23353 8.945992 -6.166626      11.79516 
1 1 1 -23 17 35 o 29.50077 8.077188 54.37122       24.00263 44.83286       28.99299 75.15000       42.79236 26.20213 9.168446 31.48595 11.12871 -5.283821      14.41904 
1 1 1 -23 17 36 o 28.69373 8.512449 53.22433       25.62760 27.55000       53.63163 60.82137       29.17385 24.16762 10.86089 30.14698 9.114907 -5.979364      14.17888 
1 1 1 -23 17 37 o 14.94344 6.687938 -1.324394      20.10809 -37.33107      28.74882 33.16204       28.13537 13.60104 6.633818 23.21225 8.877432 -9.611209      11.08225 
1 1 1 -23 17 38 o 18.44509 7.886163 11.12855       25.26657 71.03000       52.41917 -7.000580      28.83766 29.30158 11.83317 16.59124 7.649147 12.71034       14.09019 
1 1 1 -23 17 39 o 20.27662 8.252656 20.68093       25.72591 12.73000       54.43474 22.96749       29.19164 22.53365 10.43135 21.12190 8.715270 1.411745       13.59298 
1 1 1 -23 17 40 o 17.50842 7.732442 5.185473       25.98899 19.81000       54.15324 0.8092346      29.62334 23.08413 10.58359 17.67524 7.995709 5.408886       13.26437 
1 1 1 -23 17 41 o 17.97785 8.243306 -1.926819      32.86335 -60.02000      55.28363 29.82000       40.86807 17.81257 8.789743 23.12462 9.960465 -5.312057      13.28422 
1 1 1 -23 17 42 o 19.77803 7.865908 20.43121       22.79759 11.82873       34.62035 27.01740       30.29263 19.97853 8.868769 21.86650 8.934279 -1.887976      12.58874 
1 1 1 -23 17 43 o 16.43364 7.341597 1.904718       24.11428 5.842000       39.39185 -0.4550833     30.49621 19.82908 9.066911 17.55380 8.007901 2.275282       12.09692 
1 1 1 -23 17 44 o 17.55739 7.799375 5.275012       26.82108 -15.39991      31.61221 58.40000       50.67367 16.13073 7.620708 26.83036 11.30656 -10.69962      13.63501 
1 1 1 -23 17 45 o 17.43682 7.723995 6.272647       26.12151 22.42635       32.55414 -22.93000      43.77048 20.92257 8.948602 17.77932 8.553700 3.143259       12.37915 
1 1 1 -23 17 46 o 23.65451 8.794091 38.52165       27.17292 44.05268       34.05516 28.83000       45.07948 24.50082 9.654939 22.44201 10.03100 2.058804       13.92260 
1 1 1 -23 17 47 o 18.54196 7.990814 14.72546       26.33004 24.80070       32.85553 -3.360000      44.01955 20.85772 8.956721 18.91951 8.954479 1.938208       12.66513 
1 1 1 -23 18 1  o 54.46976 4.960705 151.0277       26.15885 137.7000       58.21238 154.4000       29.28188 47.56651 12.38365 54.82700 5.531868 -7.260487      13.56305 
1 1 1 -23 18 2  o 57.53183 4.848595 168.0833       27.05036 151.2000       57.88716 172.8000       30.59644 50.24889 11.94552 58.06828 5.446594 -7.819382      13.12863 
1 1 1 -23 18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 18 4  o 40.36991 4.053675 82.26751       15.80162 69.37474       29.23616 87.58797       18.78115 35.32953 8.547913 41.45263 4.712293 -6.123096      9.760764 
1 1 1 -23 18 5  o 32.57875 5.917067 55.83652       18.17415 26.16844       27.76775 78.07000       24.03807 23.83190 8.884039 38.36052 6.642352 -14.52862      11.09266 
1 1 1 -23 18 6  o 18.16890 6.258278 15.85745       13.48339 29.56196       26.61424 11.12540       15.63894 24.46124 8.762688 17.18184 6.606542 7.279398       10.97411 
1 1 1 -23 18 7  o 23.23216 6.284722 28.79656       14.63451 -10.10000      31.33602 39.64663       16.55025 18.30345 8.257002 27.21699 6.332006 -8.913540      10.40540 
1 1 1 -23 18 8  o 39.72836 4.314003 80.09714       16.50696 71.24000       34.40318 82.74602       18.81408 35.27967 9.674367 40.19203 4.882318 -4.912361      10.83653 
1 1 1 -23 18 9  o 13.50207 5.779641 0.5026591      13.60047 -26.94000      28.67890 8.465158       15.44806 15.44092 7.283803 16.34082 6.482738 -0.8998957     9.750880 
1 1 1 -23 18 10 o 42.62552 4.085992 91.80106       16.83950 29.00936       28.72407 124.6832       20.78618 24.56823 9.058414 49.64658 4.320375 -25.07836      10.03596 
1 1 1 -23 18 11 o 58.82863 3.495608 172.9377       20.03803 132.2807       32.38939 198.1478       25.50477 49.98641 6.795612 62.71470 4.178596 -12.72829      7.977531 
1 1 1 -23 18 12 o 83.28585 3.271971 345.3693       26.62202 289.2341       41.24616 385.4542       34.85429 74.93147 5.665560 87.58667 4.076665 -12.65520      6.979811 
1 1 1 -23 18 13 o 73.06976 3.380633 266.4014       24.11367 229.7237       38.25053 290.5916       31.06395 66.52419 5.936552 75.93532 4.195638 -9.411125      7.269527 
1 1 1 -23 18 14 o 28.93001 6.130465 44.80002       16.81977 6.239626       26.98018 69.31300       21.51158 19.37260 8.211122 36.08207 6.321050 -16.70947      10.36234 
1 1 1 -23 18 15 o 43.16188 4.440222 94.95310       18.49177 108.2740       30.02327 86.81116       23.47230 44.85142 7.072810 40.55046 6.102604 4.300957       9.341650 
1 1 1 -23 18 16 o 31.92475 5.717077 53.89627       17.20910 68.04001       27.66195 44.96569       21.98065 34.77879 8.250906 28.44249 7.705657 6.336302       11.28958 
1 1 1 -23 18 17 o 30.15307 6.137587 48.81082       17.49819 48.15738       28.61610 49.20106       22.11435 29.07693 9.071365 29.72572 7.578503 -0.6487865     11.82047 
1 1 1 -23 18 18 o 24.83610 6.872835 33.86126       17.27417 26.40096       27.49177 38.72817       22.20504 23.41438 8.816645 26.33533 7.949852 -2.920956      11.87154 
1 1 1 -23 18 19 o 34.01071 5.594218 61.26706       17.97656 38.20576       27.20274 79.14573       23.95182 26.20247 8.892702 38.21058 6.645103 -12.00811      11.10124 
1 1 1 -23 18 20 f 45.02662 4.550056 104.2817       19.77874 84.84908       29.84455 119.5010       26.41170 38.58529 8.157487 47.54776 5.794453 -8.962479      10.00601 
1 1 1 -23 18 21 o 99.81790 3.385308 500.1514       33.02812 504.7965       48.82676 496.2331       44.84455 98.76571 5.067572 98.32131 4.673051 0.4443970      6.893308 
1 1 1 -23 18 22 o 18.48849 7.139489 14.53405       18.31971 -35.72650      27.43959 54.95403       24.60719 13.83791 6.686084 30.74115 8.075039 -16.90324      10.48380 
1 1 1 -23 18 23 o 25.19434 7.214460 36.10754       18.69892 30.84054       27.15250 40.85873       25.78869 23.87189 8.806169 26.39625 8.651888 -2.524357      12.34519 
1 1 1 -23 18 24 o 39.76763 5.348748 84.09854       20.29292 57.84249       28.52893 110.9883       28.87117 30.81249 8.938389 44.75141 6.805096 -13.93892      11.23406 
1 1 1 -23 18 25 o 38.23254 5.600288 78.54572       20.33671 68.80573       28.02999 89.37157       29.55117 33.87874 8.474688 39.15792 7.980986 -5.279179      11.64115 
1 1 1 -23 18 26 o 23.34623 8.049994 30.90937       22.31103 44.97874       26.41114 -4.149000      41.69132 27.25599 8.741942 20.51411 9.360175 6.741880       12.80759 
1 1 1 -23 18 27 o 42.17263 6.062801 97.21423       24.30866 69.05000       28.27084 177.1000       47.61288 33.69334 8.557263 53.63405 9.412522 -19.94071      12.72094 
1 1 1 -23 18 28 o 20.48185 7.454604 22.13123       19.35600 8.820428       25.93382 38.87109       29.08309 18.73012 7.998330 25.44857 9.154762 -6.718451      12.15660 
1 1 1 -23 18 29 o 26.38374 7.868718 41.57092       21.85239 -25.46000      31.26751 105.5724       30.55278 15.70497 7.466021 42.62193 7.602253 -26.91697      10.65531 
1 1 1 -23 18 30 o 18.76521 7.529006 14.75018       21.07238 15.68000       30.74764 13.92667       28.93645 20.77587 8.783923 20.15189 8.520755 0.6239815      12.23767 
1 1 1 -23 18 31 o 36.35906 6.138492 73.65781       21.06942 68.19671       29.33035 79.48055       30.28593 32.78089 8.909684 35.64246 8.747263 -2.861572      12.48588 
1 1 1 -23 18 32 o 23.35588 7.644141 32.38158       20.13423 36.74951       27.80004 27.56275       29.19969 24.52001 8.932438 22.55863 8.924404 1.961376       12.62670 
1 1 1 -23 18 33 o 18.52965 7.350935 15.45089       19.86248 16.75664       27.82210 14.09365       28.36536 20.22749 8.441077 19.84430 8.415509 0.3831978      11.91942 
1 1 1 -23 18 34 o 15.71443 7.058599 -1.946742      22.62231 -17.73070      27.00089 35.23000       41.43868 14.97869 7.066289 24.52026 10.27196 -9.541572      12.46778 
1 1 1 -23 18 35 o 19.90377 7.533462 21.41744       20.13080 16.66121       28.72731 26.00653       28.21802 20.07877 8.489874 21.77520 8.720778 -1.696430      12.17086 
1 1 1 -23 18 36 o 21.26745 7.605443 26.55321       20.03971 4.055103       28.49037 48.58386       28.19284 17.96293 8.005354 26.91473 9.053306 -8.951805      12.08503 
1 1 1 -23 18 37 o 14.20460 6.467315 -5.108741      19.76709 -5.217135      28.28062 -5.005202      27.64016 16.65010 7.639132 16.51697 7.568398 0.1331310      10.75346 
1 1 1 -23 18 38 o 16.37754 7.075092 5.843226       20.73871 -9.140946      29.84449 19.83501       28.83927 16.52930 7.676656 20.51392 8.579736 -3.984617      11.51273 
1 1 1 -23 18 39 o 19.38208 7.656029 19.25211       21.45953 7.291896       30.97871 30.28607       29.75498 18.82290 8.370623 22.53629 8.978664 -3.713392      12.27533 
1 1 1 -23 18 40 o 26.37693 9.835123 49.51999       34.03535 57.02000       56.50738 45.25000       42.63708 26.85886 11.64077 25.38320 10.50882 1.475666       15.68256 
1 1 1 -23 18 41 o 18.00933 7.869346 8.341602       26.27099 -13.64000      54.73118 14.92239       29.94636 20.35971 9.733899 19.71476 8.509242 0.6449490      12.92888 
1 1 1 -23 18 42 o 23.64985 9.180133 36.74427       30.40659 0.000000       0.000000 36.74427       30.40659 ?        ?        23.64985 9.180133 ?              ?        
1 1 1 -23 18 43 f 29.09288 8.889237 58.11574       27.64837 103.1000       57.31590 44.47362       31.56355 32.42597 12.59908 25.19939 9.455909 7.226578       15.75281 
1 1 1 -23 18 44 o 18.66617 7.904867 14.67306       24.96897 4.815000       39.59552 21.18120       32.17205 19.55068 8.995255 20.70768 8.877151 -1.156998      12.63797 
1 1 1 -23 18 45 o 12.01647 5.949673 -44.99668      26.10359 -46.11417      31.71561 -42.65000      45.95978 13.51855 6.668321 16.75376 8.216966 -3.235214      10.58230 
1 1 1 -23 18 46 o 15.41328 7.181574 -7.493099      26.45213 4.966396       33.16150 -29.29000      43.86128 18.23936 8.332043 17.03708 8.283649 1.202272       11.74912 
1 1 1 -23 18 47 o 16.35711 7.473683 0.4453701      26.69817 -2.518134      33.68414 5.453000       43.78636 17.33943 8.087362 19.49989 9.135902 -2.160456      12.20124 
1 1 1 -23 19 1  o 27.82650 7.177343 42.12139       19.67700 71.33000       52.74920 37.40000       21.20779 34.87125 12.35291 26.22945 7.734046 8.641798       14.57429 
1 1 1 -23 19 2  o 53.89933 4.973574 148.2541       25.94390 172.8000       59.53434 142.5000       28.82485 53.80581 11.64269 52.50261 5.700300 1.303192       12.96324 
1 1 1 -23 19 3  o 47.28968 4.239041 113.0566       19.41393 63.04000       56.92475 119.6399       20.65209 33.60873 12.67992 48.60247 4.388320 -14.99374      13.41782 
1 1 1 -23 19 4  o 65.32796 3.334555 212.6959       21.25221 164.8985       36.29411 237.6357       26.21683 55.92792 6.767277 68.83448 3.907104 -12.90656      7.814186 
1 1 1 -23 19 5  o 50.24572 3.864903 126.8897       18.86237 67.42000       38.69896 145.4203       21.60213 34.06135 10.53671 53.70752 4.141138 -19.64617      11.32127 
1 1 1 -23 19 6  o 47.99496 4.884488 117.6724       22.62735 129.0000       38.30268 111.6000       28.04392 48.45295 8.379215 46.05816 6.392610 2.394798       10.53929 
1 1 1 -23 19 7  o 22.20253 7.361663 25.40402       18.65190 10.20000       32.57506 32.82000       22.75045 21.59174 9.080172 24.85439 8.125067 -3.262657      12.18467 
1 1 1 -23 19 8  o 36.72445 4.614996 69.03011       16.22405 31.93186       29.02354 85.89111       19.56661 25.24124 9.136734 40.87967 4.993447 -15.63843      10.41222 
1 1 1 -23 19 9  o 34.94569 4.775811 62.82526       15.90907 49.72617       27.79595 69.20689       19.40111 29.75616 8.874530 36.38290 5.629439 -6.626740      10.50942 
1 1 1 -23 19 10 o 19.67695 6.536759 19.58885       14.70429 41.72860       26.32895 9.553215       17.72635 27.49469 8.718424 17.33230 6.921893 10.16240       11.13209 
1 1 1 -23 19 11 o 20.64607 6.760647 21.96252       15.74816 34.92672       28.03297 15.98461       19.03580 25.75915 9.015236 19.38854 7.328581 6.370605       11.61820 
1 1 1 -23 19 12 o 13.86339 6.041290 -1.246971      15.39280 22.03949       26.21257 -13.50362      19.01707 22.38498 8.566812 13.30038 6.160033 9.084596       10.55160 
1 1 1 -23 19 13 o 36.77501 4.997962 69.98217       17.52568 51.93530       28.74440 80.66061       22.11090 30.18499 9.029966 39.10512 5.965060 -8.920132      10.82230 
1 1 1 -23 19 14 o 72.95086 3.378464 265.9674       24.05885 247.9509       38.14592 277.8682       31.00280 69.13478 5.687208 74.10232 4.292654 -4.967537      7.125392 
1 1 1 -23 19 15 o 21.89185 6.948184 25.47202       16.71915 6.459519       27.37012 36.78938       21.11688 19.40759 8.249855 25.79553 7.745002 -6.387939      11.31570 
1 1 1 -23 19 16 f 44.13165 4.487714 99.72649       19.11635 85.83765       30.63004 108.5878       24.46608 38.93878 8.290772 45.52754 5.608562 -6.588764      10.00964 
1 1 1 -23 19 17 o 43.70578 4.596667 98.20207       19.37070 86.46989       30.71658 105.9485       24.95948 38.97987 8.304916 44.78851 5.831629 -5.808643      10.14788 
1 1 1 -23 19 18 o 28.11401 6.685072 43.62580       18.12598 62.45053       28.81477 31.29891       23.31725 32.64986 8.812847 24.02504 8.231493 8.624815       12.05918 
1 1 1 -23 19 19 o 33.79952 5.865800 61.32901       18.70294 66.85691       28.68310 57.24025       24.66846 33.76172 8.643461 31.55558 7.982162 2.206144       11.76539 
1 1 1 -23 19 20 o 27.13477 6.875434 41.23949       18.28038 23.07464       27.54958 55.52877       24.43455 22.33010 8.718235 30.97671 8.002302 -8.646608      11.83404 
1 1 1 -23 19 21 o 15.21963 6.531444 2.278698       17.45058 -0.7166995     25.20945 5.034542       24.18039 17.21998 7.609849 17.89884 7.684926 -0.6788521     10.81517 
1 1 1 -23 19 22 o 18.24751 7.073522 14.26171       18.03403 9.785409       25.85956 18.50000       25.16267 19.13174 8.070440 20.73307 8.257916 -1.601324      11.54665 
1 1 1 -23 19 23 o 61.79295 3.998603 195.1858       24.05555 182.4348       34.90371 206.7221       33.19961 58.00712 6.245594 62.45660 5.486299 -4.449486      8.313058 
1 1 1 -23 19 24 o 22.14058 7.488758 27.22363       19.29038 33.59867       26.62995 20.18500       27.98164 24.31417 8.758440 21.45962 8.652909 2.854555       12.31191 
1 1 1 -23 19 25 o 80.27598 5.584012 343.6557       43.60360 375.8000       67.81468 321.0000       56.93255 79.23293 8.897601 74.59708 7.917876 4.635857       11.91050 
1 1 1 -23 19 26 o 38.15135 5.995078 79.71767       21.65022 71.37012       29.67925 89.21178       31.65195 33.99984 8.837713 38.33013 8.643247 -4.330288      12.36167 
1 1 1 -23 19 27 o 26.65378 7.460053 41.80943       20.22696 44.78376       28.06667 38.59533       29.17605 26.90672 9.032885 25.36004 9.163305 1.546679       12.86698 
1 1 1 -23 19 28 o 20.37967 7.723149 21.05687       21.17281 29.01000       31.36631 14.39971       28.69716 23.36430 9.247541 20.24629 8.518953 3.118013       12.57337 
1 1 1 -23 19 29 o 32.25669 6.778447 59.60535       20.72094 41.43219       28.74956 79.25082       29.89147 25.86538 9.123552 35.78348 8.634037 -9.918095      12.56128 
1 1 1 -23 19 30 o 27.59015 7.439900 45.38014       20.54808 -8.943295      27.79688 110.8306       30.51115 16.39156 7.539951 43.60735 7.413214 -27.21579      10.57386 
1 1 1 -23 19 31 o 19.38955 7.404446 18.94247       19.55428 37.92052       26.66068 -3.153007      28.76716 24.77821 8.781631 17.32370 7.853719 7.454508       11.78125 
1 1 1 -23 19 32 o 14.26709 6.448050 -4.440582      19.21318 35.99754       26.64007 -48.27466      27.73613 24.24239 8.756481 12.61983 6.227071 11.62256       10.74488 
1 1 1 -23 19 33 o 12.61671 5.966752 -16.22762      19.47348 -38.30878      26.98969 7.749745       28.12468 13.06596 6.384712 18.60242 8.135069 -5.536469      10.34137 
1 1 1 -23 19 34 o 22.26735 7.700169 29.80470       20.41965 37.10548       28.75831 22.38138       28.99867 24.16202 9.034311 21.12663 8.698688 3.035389       12.54137 
1 1 1 -23 19 35 o 17.67916 7.258114 12.64990       20.11317 15.36573       28.75561 10.04856       28.14292 19.77358 8.432438 18.79133 8.179026 0.9822502      11.74745 
1 1 1 -23 19 36 o 18.45689 7.358632 16.13972       20.00025 12.49119       28.53231 19.66424       28.04327 19.22975 8.302936 20.40257 8.491221 -1.172821      11.87601 
1 1 1 -23 19 37 o 20.85794 7.666098 25.19726       20.54566 22.26884       29.91837 27.81079       28.26405 21.08564 8.772597 21.99456 8.754773 -0.9089222     12.39373 
1 1 1 -23 19 38 o 21.96722 7.907712 29.29422       21.70365 71.47019       32.23343 -5.686125      29.35527 31.89085 9.567427 16.77153 7.726943 15.11932       12.29802 
1 1 1 -23 19 39 o 19.03353 7.965992 15.53237       24.88633 18.25864       31.34095 10.88000       40.94156 20.44333 8.762741 20.71108 9.381392 -0.2677593     12.83729 
1 1 1 -23 19 40 o 20.94718 7.894732 25.66517       22.05404 -3.332853      31.66377 52.98735       30.73520 17.50851 8.051400 27.40002 9.448278 -9.891506      12.41350 
1 1 1 -23 19 41 o 24.98906 8.399582 41.10896       24.26856 49.07000       39.94250 36.45021       30.55520 25.83441 10.36557 23.60699 9.191578 2.227415       13.85388 
1 1 1 -23 19 42 o 24.22250 8.823851 39.35670       27.12802 2.019000       55.46702 51.09609       31.10166 21.31637 10.07776 26.68517 9.482148 -5.368799      13.83735 
1 1 1 -23 19 43 o 16.76562 7.588853 0.5444512      26.73381 -6.052000      56.22720 2.471236       30.38840 20.71388 9.893060 17.79151 8.068262 2.922367       12.76595 
1 1 1 -23 19 44 o 19.49236 8.309968 17.55308       27.91129 -27.59000      55.79918 32.61761       32.23370 19.10447 9.301123 22.48912 9.205577 -3.384645      13.08639 
1 1 1 -23 19 45 o 16.65424 7.799424 -7.399634      31.85635 0.000000       0.000000 -7.399634      31.85635 ?        ?        16.65424 7.799424 ?              ?        
1 1 1 -23 19 46 o 15.29588 7.194066 -10.58012      27.60801 1.187221       33.95356 -33.54000      47.42757 17.86080 8.257719 17.26432 8.442108 0.5964794      11.80928 
1 1 1 -23 20 1  o 41.59551 4.113709 87.62999       16.52980 74.71725       31.03122 92.74554       19.53150 36.33971 8.815225 42.56396 4.769954 -6.224247      10.02301 
1 1 1 -23 20 2  o 40.52291 4.675019 84.01588       18.20390 77.15000       56.96450 84.79679       19.21126 35.64498 12.81366 40.61521 4.933431 -4.970226      13.73057 
1 1 1 -23 20 3  o 41.72247 6.740628 92.89722       26.58999 76.43000       57.68568 97.34000       29.96299 35.51232 12.87731 42.32952 7.506452 -6.817200      14.90543 
1 1 1 -23 20 4  o 84.23475 4.015629 356.6291       33.01405 0.000000       0.000000 356.6291       33.01405 ?        ?        84.23475 4.015629 ?              ?        
1 1 1 -23 20 5  o 24.31018 7.131226 31.97886       18.06994 0.000000       0.000000 31.97886       18.06994 ?        ?        24.31018 7.131226 ?              ?        
1 1 1 -23 20 6  o 18.50847 7.387975 11.39504       20.18394 -21.62000      32.21970 32.72000       25.89464 17.08542 7.948974 24.99685 8.669842 -7.911438      11.76233 
1 1 1 -23 20 7  o 70.69798 3.500315 249.9680       24.14726 234.1000       46.44744 255.8454       28.26763 66.11324 7.298748 71.26037 4.069532 -5.147133      8.356604 
1 1 1 -23 20 8  o 45.12679 4.949728 104.6675       21.50524 108.3061       31.01924 101.3000       29.84097 44.70717 7.343108 43.22529 7.313482 1.481880       10.36380 
1 1 1 -23 20 9  o 26.33243 6.352838 37.48729       16.18442 -14.94041      28.21333 63.20119       19.75868 16.54826 7.606252 34.49052 6.074440 -17.94226      9.734161 
1 1 1 -23 20 10 o 55.77102 3.684623 156.2807       20.00174 154.2054       34.56689 157.3253       24.52444 53.84366 6.703494 55.58597 4.547119 -1.742313      8.100193 
1 1 1 -23 20 11 o 23.37848 6.572293 29.57355       15.66280 14.36176       27.05904 37.23847       19.20773 20.85381 8.472606 26.02030 7.264906 -5.166491      11.16082 
1 1 1 -23 20 12 o 16.75053 6.571598 10.00999       15.71631 -20.61237      26.14527 27.33539       19.66597 15.11435 7.074239 22.75370 7.559611 -7.639343      10.35338 
1 1 1 -23 20 13 f 42.64619 4.476350 93.10918       18.40756 97.67723       30.40765 90.46687       23.12646 42.02824 7.674242 41.39567 5.872121 0.6325645      9.663116 
1 1 1 -23 20 14 o 23.95597 6.863648 31.47122       16.92009 4.786443       27.62139 47.49878       21.40659 19.09360 8.205958 29.12370 7.472808 -10.03010      11.09868 
1 1 1 -23 20 15 o 44.63956 4.394482 102.0478       18.95275 121.7162       30.87253 90.15193       24.00963 47.39606 6.853359 41.07512 6.161583 6.320946       9.215945 
1 1 1 -23 20 16 o 51.13705 4.150704 133.2402       20.59761 124.2886       32.53939 139.2253       26.60684 47.57058 7.214235 51.63005 5.341903 -4.059471      8.976698 
1 1 1 -23 20 17 o 49.70589 4.284530 126.4730       20.64248 121.5337       32.22085 129.9117       26.88424 46.89997 7.252512 49.61151 5.635934 -2.711540      9.184916 
1 1 1 -23 20 18 o 24.41056 7.083416 33.38008       17.91399 20.08875       27.54768 43.11910       23.58078 21.69583 8.640733 27.29713 8.181750 -5.601294      11.89972 
1 1 1 -23 20 19 o 43.42278 4.851034 98.37082       20.26671 100.6831       31.42777 96.72469       26.51685 41.90541 7.952743 41.94998 6.681717 -0.4456329E-01 10.38708 
1 1 1 -23 20 20 o 79.20954 3.501710 316.9969       27.08253 295.6383       40.32681 334.5439       36.55181 74.74698 5.551439 80.41492 4.663731 -5.667938      7.250439 
1 1 1 -23 20 21 o 26.53605 7.149475 40.33757       18.98506 17.07707       27.49033 61.54712       26.25042 20.82066 8.509466 32.15891 8.287465 -11.33826      11.87826 
1 1 1 -23 20 22 f 67.96745 3.815746 235.3899       25.28362 205.9948       35.50323 265.6387       36.01514 61.86879 5.935310 71.02385 5.216935 -9.155064      7.902172 
1 1 1 -23 20 23 o 28.71682 7.282795 47.75901       20.49782 30.82803       27.34318 69.48106       30.97122 23.62588 8.814157 33.37066 9.190389 -9.744774      12.73392 
1 1 1 -23 20 24 o 21.15503 7.991743 22.94268       22.62935 23.71403       26.78671 21.02000       42.29105 21.88451 8.581277 23.52464 10.13257 -1.640133      13.27808 
1 1 1 -23 20 25 o 18.32710 7.303727 13.79725       19.69449 16.58693       26.84116 10.54373       28.98688 20.37666 8.377151 19.70753 8.436859 0.6691208      11.88938 
1 1 1 -23 20 26 o 20.17804 7.486523 21.01582       19.67460 16.00159       26.69092 26.98220       29.11503 20.18887 8.332278 22.74927 8.938628 -2.560396      12.21990 
1 1 1 -23 20 27 o 44.84519 7.425648 116.3131       31.45571 0.000000       0.000000 116.3131       31.45571 ?        ?        44.84519 7.425648 ?              ?        
1 1 1 -23 20 28 o 48.14408 4.816766 122.6269       22.39444 89.54209       30.78794 159.7974       32.63362 38.22115 8.453906 53.62385 6.339746 -15.40270      10.56697 
1 1 1 -23 20 29 o 29.00511 7.238312 49.71038       20.48335 -16.25255      28.01662 125.4595       30.02302 15.57671 7.301060 47.06846 6.706007 -31.49175      9.913425 
1 1 1 -23 20 30 o 13.16601 6.131992 -11.81566      19.25403 -3.244657      27.47980 -20.08112      26.98555 16.95649 7.682751 14.79478 7.004872 2.161711       10.39677 
1 1 1 -23 20 31 o 30.68121 7.942328 57.90536       24.03621 57.92194       29.13157 57.87000       42.54201 29.70279 9.133774 28.44132 10.90642 1.261467       14.22588 
1 1 1 -23 20 32 o 23.74093 8.562555 34.80732       25.46153 10.47000       55.99402 41.15126       28.58807 22.91394 10.59767 25.25702 9.077685 -2.343079      13.95403 
1 1 1 -23 20 33 o 23.95243 7.643490 35.33408       20.21022 33.38733       28.21736 37.38468       28.96026 23.28964 8.894459 24.19522 9.062039 -0.9055748     12.69771 
1 1 1 -23 20 34 o 49.77839 4.794317 132.9589       23.07143 127.0124       32.94258 138.6835       32.32214 45.81284 7.613332 48.59483 6.996597 -2.781986      10.33998 
1 1 1 -23 20 35 f 22.80560 7.635400 31.90120       20.05538 40.91050       28.40531 22.94589       28.32007 24.89563 9.035050 21.02784 8.620451 3.867792       12.48777 
1 1 1 -23 20 36 f 15.90487 6.902148 4.547196       19.91835 -12.15095      28.77662 19.90545       27.59793 15.91817 7.441092 20.36215 8.444606 -4.443983      11.25528 
1 1 1 -23 20 37 o 25.58315 7.760242 41.38035       21.12259 44.71742       30.67690 38.37195       29.12704 25.54202 9.370798 24.16933 9.080610 1.372694       13.04873 
1 1 1 -23 20 38 o 21.09256 8.142588 25.81127       23.82391 8.571042       29.87055 55.95000       39.49429 18.71089 8.275432 27.18439 10.48666 -8.473503      13.35862 
1 1 1 -23 20 39 o 47.43750 5.275525 123.7733       24.08205 135.8124       34.59686 112.4571       33.54195 46.88177 7.814116 41.80241 8.487641 5.079361       11.53692 
1 1 1 -23 20 40 o 16.52781 7.289323 4.097771       23.02032 11.31000       35.52629 -1.122263      30.22399 19.93702 8.908569 17.42656 7.958346 2.510464       11.94562 
1 1 1 -23 20 41 o 20.42940 7.779793 24.28489       21.54862 41.37910       30.84364 7.985518       30.11802 24.50088 9.313027 18.53020 8.246202 5.970675       12.43915 
1 1 1 -23 20 42 o 36.90580 6.661862 80.70377       23.18025 75.79979       33.53735 85.18947       32.07516 32.15055 9.783695 35.03482 9.227158 -2.884266      13.44846 
1 1 1 -23 20 43 o 27.64920 7.819626 49.87632       22.10361 23.88595       30.77447 77.57130       31.76763 20.88214 8.806172 32.79360 9.407575 -11.91146      12.88608 
1 1 1 -23 20 44 o 16.27473 7.490644 -2.712336      27.49130 -80.95000      54.44519 24.06132       31.84970 16.19207 8.107603 20.78590 8.869636 -4.593830      12.01681 
1 1 1 -23 20 45 o 14.87506 7.038408 -13.23846      27.16259 -35.67000      53.25468 -5.350883      31.57911 17.91683 8.799080 16.69106 7.799972 1.225771       11.75854 
1 1 1 -23 21 1  o 64.73685 3.450740 209.7006       21.78703 129.0945       36.04454 256.1046       27.34849 48.50758 7.860192 71.33214 3.932106 -22.82456      8.788861 
1 1 1 -23 21 2  o 55.34819 3.781577 154.1367       20.36413 117.7000       41.45654 165.7247       23.37916 45.04773 9.689695 57.21911 4.203620 -12.17138      10.56223 
1 1 1 -23 21 3  o 70.13642 3.519073 246.2773       24.08177 205.8000       48.07561 259.8358       27.82422 61.12596 8.245198 71.82658 3.973076 -10.70061      9.152520 
1 1 1 -23 21 4  o 38.45769 5.435580 77.19393       19.89165 0.000000       0.000000 77.19393       19.89165 ?        ?        38.45769 5.435580 ?              ?        
1 1 1 -23 21 5  o 41.89838 5.033869 90.66050       20.23159 23.75000       62.22179 98.57088       21.39412 28.24990 12.22948 43.68024 5.099678 -15.43034      13.25017 
1 1 1 -23 21 6  f 22.05317 7.116015 25.69034       17.48224 10.10000       53.89005 27.52403       18.48177 25.51210 11.20581 22.74248 7.314636 2.769625       13.38186 
1 1 1 -23 21 7  o 33.64061 5.189564 59.07530       16.53940 26.74315       31.24715 71.65941       19.49415 24.15959 9.325617 36.95649 5.561181 -12.79690      10.85789 
1 1 1 -23 21 8  o 29.51893 5.960943 46.64601       16.62959 2.392000       34.14935 60.40238       19.03962 20.52097 8.969327 33.67720 5.995665 -13.15623      10.78874 
1 1 1 -23 21 9  o 34.99932 5.056458 63.77353       16.82100 46.39178       29.78878 71.91035       20.38136 28.53271 9.295357 36.85619 5.844377 -8.323481      10.98000 
1 1 1 -23 21 10 o 42.69704 5.176636 94.75513       21.19337 73.11924       30.52151 114.9000       29.45106 35.56425 8.812903 46.22202 6.704977 -10.65777      11.07357 
1 1 1 -23 21 11 o 44.04541 4.324542 99.15154       18.40423 52.14955       30.18287 126.9702       23.22043 29.88459 9.315319 49.63756 4.840614 -19.75297      10.49794 
1 1 1 -23 21 12 o 68.32067 3.478822 234.4071       23.18775 181.1491       35.93516 272.4019       30.35214 58.28200 6.404513 73.21045 4.253875 -14.92845      7.688514 
1 1 1 -23 21 13 o 25.33609 6.807526 35.55136       17.24106 3.588675       27.14889 57.15406       22.31950 18.67453 8.081226 31.96355 7.295156 -13.28902      10.88694 
1 1 1 -23 21 14 o 44.32076 4.522818 101.1480       19.34635 90.36662       30.67259 108.2708       24.93098 39.77676 8.152128 45.19950 5.766185 -5.422745      9.985293 
1 1 1 -23 21 15 o 37.53522 5.273179 74.27195       18.84042 50.52797       30.27248 89.28311       24.07013 29.11453 9.361246 40.66397 6.246801 -11.54944      11.25413 
1 1 1 -23 21 16 f 38.79552 5.194003 79.26167       19.22867 57.72818       29.65685 94.87962       25.25689 30.95716 9.150422 41.80319 6.373876 -10.84603      11.15153 
1 1 1 -23 21 17 o 26.90109 6.923089 40.85057       18.33558 11.46990       28.74442 61.00696       23.80833 20.17161 8.508878 32.59851 7.601871 -12.42690      11.41006 
1 1 1 -23 21 18 o 33.84824 5.964573 62.38147       19.03985 42.41892       29.02693 77.45655       25.22452 26.71058 9.183092 36.99460 7.225197 -10.28403      11.68472 
1 1 1 -23 21 19 o 51.84765 4.306505 138.6343       21.65837 162.2207       32.99454 120.7762       28.70964 54.61517 6.286489 46.96294 6.412833 7.652229       8.980222 
1 1 1 -23 21 20 o 30.12277 6.671018 51.08265       19.15037 30.03153       27.82390 70.03109       26.39776 23.56667 8.870661 34.52419 7.972519 -10.95752      11.92685 
1 1 1 -23 21 21 o 18.15087 7.210207 13.28564       19.13334 22.94530       26.90249 3.398447       27.21750 21.81573 8.586071 18.24106 7.989272 3.574669       11.72813 
1 1 1 -23 21 22 o 44.06668 5.974699 105.8110       25.10784 86.98148       29.88450 151.0000       46.29584 38.20015 8.235115 48.68128 10.04891 -10.48113      12.99222 
1 1 1 -23 21 23 o 24.93093 8.277539 36.85516       23.57958 28.27069       27.82605 58.72000       44.40870 22.96189 8.816698 29.51204 11.18483 -6.550154      14.24200 
1 1 1 -23 21 24 f 26.72647 7.989982 42.94347       22.51041 7.723000       32.30786 76.17298       31.38142 19.88675 8.707359 34.76353 9.112998 -14.87678      12.60416 
1 1 1 -23 21 25 o 23.50594 7.970737 32.24989       21.85416 20.45000       32.88509 41.58319       29.24677 21.95717 9.171018 25.98677 9.198856 -4.029600      12.98948 
1 1 1 -23 21 26 o 35.37630 6.756209 71.29881       22.54202 47.06000       33.68020 90.96743       30.33934 27.08795 9.837164 38.79913 8.243310 -11.71118      12.83440 
1 1 1 -23 21 27 o 32.71741 6.675708 61.32275       20.65400 50.57955       28.34481 73.48418       30.15776 28.07756 9.061069 33.97439 8.946756 -5.896824      12.73371 
1 1 1 -23 21 28 o 21.11224 7.533812 24.99121       19.65337 28.96763       27.35048 20.74596       28.25994 22.70553 8.735165 21.09966 8.626131 1.605873       12.27653 
1 1 1 -23 21 29 o 47.43780 4.843150 119.8325       22.17323 108.9473       31.35922 130.7156       31.35615 42.65398 7.798307 47.68640 6.919593 -5.032417      10.42566 
1 1 1 -23 21 30 o 18.90137 7.678666 15.46107       22.22307 -0.5239905     26.51720 53.18000       40.73337 17.02470 7.645040 27.54611 10.64357 -10.52141      13.10467 
1 1 1 -23 21 31 o 17.71754 7.674265 7.466940       24.52943 62.75000       56.72134 -5.250288      27.20487 28.28414 11.94300 16.46419 7.530808 11.81995       14.11907 
1 1 1 -23 21 32 o 32.06169 6.688354 60.26333       20.30986 50.87208       28.75202 69.61607       28.69303 27.44559 9.141249 32.53495 8.799520 -5.089361      12.68834 
1 1 1 -23 21 33 o 28.70348 7.278964 50.29554       20.47715 58.05103       29.11594 42.70498       28.80469 29.15972 9.158067 25.30549 9.109883 3.854227       12.91744 
1 1 1 -23 21 34 o 16.31627 6.929519 7.508540       19.28044 -1.164621      26.51528 17.23955       28.08577 16.69713 7.557821 19.92089 8.407377 -3.223755      11.30507 
1 1 1 -23 21 35 o 15.98032 6.882523 5.586238       19.50912 7.945687       28.15111 3.405942       27.06126 18.38967 8.087504 17.47694 7.794518 0.9127369      11.23220 
1 1 1 -23 21 36 o 19.58730 7.875837 19.47104       23.11130 28.45843       29.92403 6.185000       36.38322 22.09318 8.933967 19.52057 8.842770 2.572617       12.57022 
1 1 1 -23 21 37 o 16.09485 7.177737 1.476490       22.94476 -9.774818      29.34366 19.18000       36.80802 16.22004 7.559621 21.17206 9.281424 -4.952019      11.97049 
1 1 1 -23 21 38 o 12.71461 6.033297 -16.52777      20.23343 -34.41543      29.13284 0.1409122      28.12268 13.82165 6.727240 17.14052 7.768510 -3.318868      10.27645 
1 1 1 -23 21 39 o 21.55563 8.120789 28.10945       23.32989 30.81000       36.24633 26.19933       30.48377 22.76315 9.575814 21.59513 8.907854 1.168024       13.07846 
1 1 1 -23 21 40 o 24.89064 7.935973 40.20829       21.79029 39.59122       30.52171 40.84975       31.11923 24.09562 9.238490 24.34482 9.329883 -0.2492046     13.12998 
1 1 1 -23 21 41 o 29.45191 7.635013 55.07908       22.19078 55.96768       31.73582 54.22898       31.04073 27.64723 9.597518 27.33580 9.491695 0.3114338      13.49832 
1 1 1 -23 21 42 o 28.91953 7.693805 53.96697       22.15787 66.45897       31.26586 41.36230       31.40655 30.03334 9.497900 24.16950 9.344035 5.863840       13.32370 
1 1 1 -23 21 43 o 16.61983 7.203596 8.130627       21.64207 0.6203784      30.53411 15.71253       30.67944 17.31569 7.941963 19.37682 8.484559 -2.061132      11.62164 
1 1 1 -23 21 44 o 23.65148 8.123480 38.43409       22.71308 41.64310       31.88870 35.12977       32.35875 23.65124 9.335780 22.41993 9.205491 1.231312       13.11098 
1 1 1 -23 22 1  o 27.00410 8.010549 40.95489       22.69537 13.81000       37.25745 56.97000       28.61765 22.80694 9.657146 31.35563 8.907642 -8.548687      13.13798 
1 1 1 -23 22 2  o 64.82787 4.246643 213.3063       26.79884 0.000000       0.000000 213.3063       26.79884 ?        ?        64.82787 4.246643 ?              ?        
1 1 1 -23 22 3  o 27.95203 6.307484 42.44471       16.84606 -50.70000      38.19393 64.94158       18.77052 16.13686 7.818797 35.03721 5.666528 -18.90035      9.656248 
1 1 1 -23 22 4  o 38.68048 4.670348 77.14775       17.32512 59.03306       32.46269 84.36222       20.48666 31.61123 9.626892 40.17065 5.342556 -8.559427      11.00999 
1 1 1 -23 22 5  o 48.78974 4.585789 122.0431       21.64346 64.80000       58.20782 131.2272       23.31515 32.70793 12.70004 50.51296 4.772082 -17.80503      13.56701 
1 1 1 -23 22 6  o 12.87700 5.899576 -9.390382      16.78600 -57.77000      53.10251 -4.019482      17.69324 19.29468 9.317380 14.20541 6.321078 5.089269       11.25920 
1 1 1 -23 22 7  o 16.78015 6.818472 8.266291       17.52760 -124.1000      54.72575 23.39644       18.50225 16.29527 8.154745 21.27332 7.330932 -4.978048      10.96551 
1 1 1 -23 22 8  o 24.42302 8.726449 31.71590       26.37682 1.691000       52.76195 41.72000       30.45573 23.97765 10.77425 27.16055 9.403378 -3.182901      14.30063 
1 1 1 -23 22 9  o 82.69019 3.617779 344.0838       29.21124 228.3000       51.98297 397.5189       35.31429 63.41791 8.595242 88.56027 4.084854 -25.14236      9.516523 
1 1 1 -23 22 10 o 44.18167 4.600317 100.6373       19.60362 68.97000       36.54420 113.4318       23.22865 33.45994 10.21897 46.62874 5.176494 -13.16880      11.45528 
1 1 1 -23 22 11 f 44.83574 5.168500 105.0876       22.26811 72.92834       31.45454 137.4000       31.52930 34.99414 9.099205 50.43497 6.540590 -15.44083      11.20602 
1 1 1 -23 22 12 o 53.75325 4.621738 148.9798       24.08150 130.7547       33.24478 169.1000       34.93049 48.64484 7.199082 55.96927 6.496562 -7.324425      9.697015 
1 1 1 -23 22 13 o 14.26315 6.240259 -0.8305497     16.56532 7.523651       26.74299 -6.031521      21.10084 19.08525 8.135229 15.06258 6.787046 4.022664       10.59462 
1 1 1 -23 22 14 o 12.11902 5.673045 -13.78222      16.82327 9.156747       27.23497 -27.93515      21.39258 19.43790 8.244766 12.34186 5.948384 7.096042       10.16658 
1 1 1 -23 22 15 o 70.41730 3.676278 251.3274       25.25151 186.9851       38.28874 300.8538       33.59241 58.29834 6.839709 76.40759 4.511656 -18.10925      8.193696 
1 1 1 -23 22 16 o 17.31570 6.956039 10.80374       18.01065 26.13301       28.35112 0.4313255      23.32112 22.82963 8.863676 16.75269 7.364555 6.076939       11.52395 
1 1 1 -23 22 17 o 10.47980 5.119385 -28.96089      17.31269 -29.70709      25.89500 -28.35775      23.28080 13.75152 6.606429 12.95515 6.234170 0.7963753      9.083489 
1 1 1 -23 22 18 o 13.67742 6.197237 -6.248472      17.88198 -1.237749      26.20688 -10.61387      24.46116 17.27973 7.690796 15.40632 7.081758 1.873409       10.45465 
1 1 1 -23 22 19 o 30.83000 6.759743 53.82062       19.83572 48.39447       28.93207 58.63330       27.24754 28.00180 9.163193 30.98451 8.653461 -2.982714      12.60343 
1 1 1 -23 22 20 o 24.07283 7.529777 33.61261       19.70303 17.98834       28.34685 48.21646       27.40556 20.96016 8.612102 27.96315 8.898195 -7.002993      12.38330 
1 1 1 -23 22 21 o 58.49780 5.032340 180.6380       28.53502 153.0943       35.14718 233.9000       48.87513 52.04389 7.083099 63.24065 8.079908 -11.19676      10.74501 
1 1 1 -23 22 22 o 39.62554 6.718834 88.47568       25.13004 101.4715       30.36749 60.24000       44.76157 41.64346 7.734656 29.62465 11.22880 12.01881       13.63491 
1 1 1 -23 22 23 o 18.49927 7.371674 14.42160       20.06085 12.70124       27.11089 16.50342       29.82333 19.61276 8.267834 20.79610 8.713191 -1.183344      12.01153 
1 1 1 -23 22 24 o 26.64907 7.900190 42.82307       22.08002 33.25000       32.44709 51.07930       30.13290 24.18906 9.456408 28.22079 9.356956 -4.031725      13.30324 
1 1 1 -23 22 25 o 17.78416 7.408020 10.32210       21.37210 32.01000       30.79650 -9.826676      29.68363 23.72054 9.230059 16.80881 7.753427 6.911736       12.05444 
1 1 1 -23 22 26 o 31.24030 7.057586 57.09116       21.07050 42.88424       28.69697 73.70922       31.03675 26.02662 9.120463 33.76447 9.160248 -7.737846      12.92645 
1 1 1 -23 22 27 o 33.90498 6.471074 65.53522       20.69243 10.12377       28.14159 130.7571       30.53131 19.11663 8.249950 47.94475 6.687483 -28.82812      10.61999 
1 1 1 -23 22 28 o 16.63702 6.948154 8.516795       18.87264 13.65447       26.13617 2.919392       27.28049 19.30204 8.126276 17.75299 7.877205 1.549047       11.31754 
1 1 1 -23 22 29 o 16.59059 7.025701 7.546662       19.72294 -7.229649      27.98389 22.13140       27.80189 16.45634 7.568117 21.07189 8.578115 -4.615551      11.43943 
1 1 1 -23 22 30 o 24.74152 7.530541 37.59583       19.86766 14.25166       28.27835 60.35096       27.91931 19.57744 8.355874 30.21878 8.864089 -10.64134      12.18165 
1 1 1 -23 22 31 o 14.38217 6.438252 -1.729966      18.64645 -24.28400      26.17609 21.50521       26.56842 13.94481 6.684264 20.59343 8.384797 -6.648623      10.72307 
1 1 1 -23 22 32 o 23.88641 7.469681 35.25642       19.39098 25.35433       27.19700 45.49458       27.65469 21.35538 8.558516 26.02562 8.962790 -4.670237      12.39273 
1 1 1 -23 22 33 o 15.38253 6.716417 3.154082       19.10537 11.15085       26.64970 -5.301936      27.40426 18.60814 8.029388 16.35428 7.509478 2.253864       10.99379 
1 1 1 -23 22 34 o 22.09253 7.635622 29.76753       20.07767 23.74040       28.50843 35.69893       28.28115 21.11666 8.652088 23.59122 8.929189 -2.474556      12.43338 
1 1 1 -23 22 35 o 28.93880 7.984418 53.69741       23.35237 74.93174       30.03684 21.25000       37.13000 33.26638 9.005722 21.52205 9.380710 11.74432       13.00387 
1 1 1 -23 22 36 o 23.25592 7.698636 33.98660       20.40078 15.15301       28.54409 53.65271       29.16816 19.46697 8.353763 27.70118 9.206633 -8.234207      12.43171 
1 1 1 -23 22 37 o 24.05408 7.735916 36.69837       20.67222 26.82732       29.57223 46.13157       28.90893 21.64520 8.833649 25.82782 9.145291 -4.182621      12.71494 
1 1 1 -23 22 38 f 35.46861 7.092687 76.04616       23.76312 89.31000       37.58493 67.21312       30.67146 34.45751 10.32971 30.84815 9.349968 3.609365       13.93287 
1 1 1 -23 22 39 o 19.31219 7.601853 20.12853       21.09104 18.34917       29.56638 21.97210       30.09511 19.98849 8.538037 20.66116 8.710459 -0.6726704     12.19714 
1 1 1 -23 22 40 o 24.09408 7.911616 37.61568       21.56035 25.38155       30.46955 49.88424       30.51237 21.27672 8.852643 26.33886 9.388442 -5.062141      12.90396 
1 1 1 -23 22 41 o 17.35961 7.305751 11.98406       21.11200 34.09183       29.52784 -11.13734      30.19717 22.68641 8.974581 16.02814 7.533892 6.658264       11.71762 
1 1 1 -23 22 42 o 13.64507 6.355201 -8.925179      20.68241 -41.66811      29.04856 24.73890       29.45433 13.04121 6.423065 20.72230 8.669088 -7.681087      10.78929 
1 1 1 -23 22 43 o 20.70002 7.790451 27.31077       21.45828 25.83923       29.64949 28.92933       31.09530 20.69586 8.680571 21.30562 8.909798 -0.6097565     12.43932 
1 1 1 -23 22 44 o 17.99751 7.764303 14.02468       24.90909 -6.141755      30.17068 57.20000       44.14570 16.18781 7.583974 25.19270 10.58104 -9.004896      13.01826 
1 1 1 -23 23 1  f 76.96530 4.676927 304.0396       35.06768 286.2000       55.49258 315.9000       45.24735 71.51685 8.067857 77.29269 6.028297 -5.775833      10.07128 
1 1 1 -23 23 2  o 39.72077 6.346400 85.19527       23.84460 52.01741       34.88122 114.3000       32.67001 29.52705 10.06907 45.24257 7.649673 -15.71551      12.64530 
1 1 1 -23 23 3  o 73.04622 4.354186 272.3260       30.99100 242.6758       41.30896 310.5000       46.87205 67.42366 6.333462 76.31995 6.331290 -8.896294      8.955332 
1 1 1 -23 23 4  o 85.21648 4.029472 368.2874       33.51553 346.1110       46.03492 393.3000       48.89004 81.06703 5.840606 86.46861 5.810103 -5.401581      8.238324 
1 1 1 -23 23 5  o 22.53278 6.858500 27.85754       16.47964 46.77417       31.30809 20.60773       19.38198 28.22800 9.540454 20.46487 7.457922 7.763126       12.10954 
1 1 1 -23 23 6  o 18.92515 6.907085 17.12380       16.63359 10.60371       30.13128 19.98169       19.94867 20.50087 8.682834 20.36660 7.541819 0.1342697      11.50090 
1 1 1 -23 23 7  o 13.90806 6.696858 -33.39848      26.96215 -14.47000      51.88714 -40.40000      31.55716 21.98851 10.18086 14.80273 7.156631 7.185787       12.44457 
1 1 1 -23 23 8  o 64.40800 4.108159 211.4375       25.76461 169.1000       59.85884 221.0646       28.54402 50.17883 12.28706 65.62590 4.470274 -15.44707      13.07499 
1 1 1 -23 23 9  o 23.67702 7.348590 31.35891       18.80562 -58.26000      50.86055 45.55140       20.24000 18.46451 8.964400 28.33199 7.264588 -9.867485      11.53840 
1 1 1 -23 23 10 o 62.21690 4.148578 197.8099       25.12033 168.6000       58.13731 204.5153       27.85477 50.20219 11.99540 63.00171 4.547507 -12.79952      12.82846 
1 1 1 -23 23 11 o 22.84643 6.873321 29.11992       16.61877 -20.01689      28.02854 55.75984       20.63780 15.52775 7.285922 31.52022 6.882473 -15.99246      10.02263 
1 1 1 -23 23 12 o 45.72181 4.615884 108.6180       20.37527 101.3000       38.93066 111.3788       23.91173 40.16298 9.953591 45.80448 5.439396 -5.641502      11.34288 
1 1 1 -23 23 13 o 30.19765 7.504035 52.78130       22.08322 25.33109       29.58085 87.34000       33.19071 22.80500 8.994754 37.84383 9.077058 -15.03883      12.77883 
1 1 1 -23 23 14 o 37.17105 5.750868 74.68114       20.24903 43.28658       31.82799 96.02865       26.24554 26.82541 9.585742 41.60472 6.670054 -14.77932      11.67802 
1 1 1 -23 23 15 o 54.44619 4.253543 152.7720       22.48880 96.28227       33.80464 197.6214       30.12107 39.87429 8.888233 61.34211 5.061557 -21.46782      10.22839 
1 1 1 -23 23 16 o 33.93122 6.222782 63.60894       19.90621 38.95071       29.77553 83.53654       26.76740 25.66991 9.259401 38.13299 7.438538 -12.46308      11.87722 
1 1 1 -23 23 17 o 20.03730 7.351720 20.59065       18.88198 -10.08380      27.49749 47.96004       25.97390 16.36615 7.517621 28.04541 8.624638 -11.67926      11.44111 
1 1 1 -23 23 18 o 21.08623 7.481616 24.13477       19.35611 20.21483       28.71761 27.39811       26.20232 21.41466 8.718020 22.61108 8.586328 -1.196423      12.23638 
1 1 1 -23 23 19 o 22.05732 7.657539 27.28524       20.20290 6.101058       28.11178 49.91320       29.05395 18.77334 8.172803 28.19895 9.179531 -9.425613      12.29059 
1 1 1 -23 23 20 o 17.47151 7.491450 6.251391       22.92112 -18.82132      27.83982 59.01000       40.38429 15.35742 7.223384 29.52321 10.76432 -14.16579      12.96333 
1 1 1 -23 23 21 o 28.71988 7.422619 48.67644       21.01634 30.98606       29.02965 68.16007       30.46549 23.52650 9.012474 32.73244 9.153323 -9.205936      12.84554 
1 1 1 -23 23 22 o 45.71454 5.137604 111.5653       22.59160 96.60201       31.65267 127.1030       32.25453 39.91220 8.369893 47.03608 7.237388 -7.123882      11.06503 
1 1 1 -23 23 23 o 13.37060 6.250556 -13.68668      20.30965 12.72000       29.83216 -36.49889      27.72755 20.02989 8.566550 13.57483 6.597044 6.455060       10.81234 
1 1 1 -23 23 24 o 12.88658 6.043058 -13.97426      19.23297 -18.56604      25.98780 -8.413678      28.59824 14.68452 6.929017 16.62885 7.648654 -1.944335      10.32052 
1 1 1 -23 23 25 o 18.39149 7.341397 14.79842       19.93056 -14.34492      26.65423 51.75804       30.01651 15.34142 7.168193 28.07847 9.339778 -12.73705      11.77346 
1 1 1 -23 23 26 o 53.29893 5.749372 156.0816       29.52073 149.9000       62.20573 157.8784       33.53790 41.48122 13.42635 52.67527 6.652744 -11.19405      14.98419 
1 1 1 -23 23 27 o 52.28266 5.399856 148.5079       27.23698 128.2195       32.94762 192.3000       48.40588 46.55458 7.483873 54.64298 9.388403 -8.088394      12.00627 
1 1 1 -23 23 28 o 20.28886 8.165497 20.44526       24.86729 -25.77000      56.15339 31.71970       27.73517 20.16896 9.699528 23.00340 8.809955 -2.834435      13.10329 
1 1 1 -23 23 29 o 23.88482 7.559532 35.14792       19.80281 37.96089       28.25871 32.43361       27.75879 24.26708 8.978067 23.00333 8.812758 1.263746       12.58056 
1 1 1 -23 23 30 o 26.98595 7.356858 44.74601       19.96217 51.33305       28.91276 38.74577       27.59488 27.45086 9.167308 24.41899 8.898845 3.031872       12.77611 
1 1 1 -23 23 31 o 16.14472 6.880647 7.047154       19.12494 37.69240       27.51923 -21.58024      26.59779 24.04409 8.866183 14.27256 6.813241 9.771527       11.18166 
1 1 1 -23 23 32 o 30.56514 6.887959 55.83330       20.11221 38.97094       28.09636 73.55418       28.80271 24.36730 8.963274 33.38750 8.719975 -9.020201      12.50513 
1 1 1 -23 23 33 o 22.72070 7.623843 31.99722       19.99356 40.80927       28.58500 23.55713       27.97521 24.68135 9.047192 20.96478 8.578130 3.716574       12.46740 
1 1 1 -23 23 34 o 23.30264 8.095956 34.51747       22.58452 32.30707       28.18839 38.48000       37.74168 22.73159 8.834690 24.12648 9.927741 -1.394896      13.28954 
1 1 1 -23 23 35 o 34.87943 6.359076 70.86147       20.91081 65.73127       29.60176 75.97136       29.54305 30.74951 9.155236 33.56174 8.863170 -2.812225      12.74261 
1 1 1 -23 23 36 o 26.57984 7.890553 45.54034       22.01398 55.53000       34.83179 38.89625       28.40654 27.31273 9.990938 24.10243 8.985496 3.210299       13.43719 
1 1 1 -23 23 37 o 23.86469 7.773519 36.33120       20.83357 28.05736       30.15177 43.89007       28.81960 21.84301 8.917736 25.20842 9.107341 -3.365410      12.74636 
1 1 1 -23 23 38 o 28.12637 7.579123 50.35147       21.33343 38.68058       30.21010 61.96066       30.13012 23.82851 9.177006 29.36835 9.328246 -5.539841      13.08563 
1 1 1 -23 23 39 o 15.25885 6.792940 1.257301       20.45732 26.24240       29.24086 -22.69615      28.63081 21.30613 8.749753 14.58219 6.990014 6.723946       11.19904 
1 1 1 -23 23 40 o 13.99256 6.451944 -6.444285      20.52706 7.373334       29.41676 -19.55776      28.65742 18.09068 8.093363 14.79269 7.064441 3.297984       10.74285 
1 1 1 -23 23 41 f 18.13513 7.445428 16.14112       21.16514 31.36452       29.90639 0.8654081      29.95772 21.93596 8.909089 17.21255 7.884204 4.723404       11.89675 
1 1 1 -23 23 42 o 16.49255 7.115955 9.008492       20.92799 9.805931       29.24134 8.171082       29.96522 18.09975 8.085299 17.98644 8.097684 0.1133080      11.44310 
1 1 1 -23 23 43 o 15.97328 7.245710 1.769547       24.52867 18.65165       29.89203 -33.03000      42.91696 19.34809 8.425253 16.36513 8.008387 2.982965       11.62408 
1 1 1 -23 24 1  o 35.32071 6.915859 69.57300       23.05407 68.68880       34.45161 70.29000       31.02389 33.16414 9.877425 34.05795 9.123309 -0.8938065     13.44613 
1 1 1 -23 24 2  o 51.99086 5.317304 142.2475       26.67911 85.99633       37.09827 202.5000       38.39505 37.04877 9.999435 61.09244 6.521412 -24.04367      11.93807 
1 1 1 -23 24 3  f 34.94232 7.205308 68.84300       23.82502 63.31049       32.93029 74.92000       34.51272 31.95794 9.688524 34.69967 9.756365 -2.741730      13.74970 
1 1 1 -23 24 4  o 34.56969 7.437475 68.02570       24.41971 69.73821       33.48400 66.08000       35.69091 33.50255 9.673083 32.33788 10.13714 1.164677       14.01179 
1 1 1 -23 24 5  o 53.45473 5.177297 149.9843       26.75040 156.8998       35.85268 141.3000       40.17715 53.21867 7.056298 49.07466 8.681602 4.144009       11.18756 
1 1 1 -23 24 6  o 17.46175 6.829417 12.29771       16.92957 -1.359579      30.48438 18.38827       20.35747 18.53628 8.269514 19.84733 7.560856 -1.311049      11.20497 
1 1 1 -23 24 7  o 28.17094 6.548203 44.39676       17.71240 35.62735       31.83595 48.32821       21.31615 25.26426 9.493168 28.94601 7.472471 -3.681751      12.08131 
1 1 1 -23 24 8  o 22.31954 7.138028 27.80183       17.61814 -13.31966      32.55397 44.83508       20.95165 17.52544 8.096678 27.81899 7.517342 -10.29355      11.04838 
1 1 1 -23 24 9  o 23.48783 7.597230 31.34579       19.91910 -64.79000      55.72821 45.42691       21.32805 18.81579 9.190084 27.93218 7.600075 -9.116386      11.92555 
1 1 1 -23 24 10 o 53.16550 4.578153 146.8033       23.59283 101.8000       56.88131 156.1543       25.92832 36.78432 12.84407 54.61658 4.902112 -17.83226      13.74776 
1 1 1 -23 24 11 o 26.16322 7.539036 39.82477       20.35833 41.20000       52.16401 39.57766       22.11184 27.40246 11.50507 25.95620 7.953126 1.446264       13.98638 
1 1 1 -23 24 12 o 33.39045 6.869991 63.00815       21.70406 15.09000       51.85280 73.18679       23.89830 24.23020 10.79904 35.93392 7.046407 -11.70372      12.89462 
1 1 1 -23 24 13 o 22.92406 7.296855 29.89411       18.42807 30.44823       29.01473 29.51945       23.85798 23.66947 9.024174 23.02789 8.290719 0.6415749      12.25446 
1 1 1 -23 24 14 o 20.23594 7.382595 21.23862       18.99995 7.807514       29.20480 31.09505       25.01834 19.37061 8.382036 23.47163 8.484729 -4.101021      11.92682 
1 1 1 -23 24 15 o 17.27725 7.321078 7.017654       21.43868 24.94356       27.53076 -20.60000      34.17205 22.21933 8.703473 17.00893 8.000998 5.210400       11.82228 
1 1 1 -23 24 16 o 19.13016 7.283477 17.60519       18.88439 29.97721       28.03403 7.327415       25.55141 23.31439 8.874773 18.35980 7.891566 4.954588       11.87596 
1 1 1 -23 24 17 o 14.13737 6.376392 -4.852937      18.67712 -18.09671      27.09298 7.140699       25.78259 15.21484 7.146747 18.36364 7.910576 -3.148801      10.66083 
1 1 1 -23 24 18 o 32.08290 7.777164 61.39012       24.16618 27.58788       29.94666 124.5000       40.91894 22.89241 9.043674 44.05341 9.747727 -21.16099      13.29685 
1 1 1 -23 24 19 o 52.74207 5.288115 148.7937       26.93222 137.4158       33.07074 171.2000       46.40854 49.09449 7.086732 52.24324 9.421874 -3.148743      11.78955 
1 1 1 -23 24 20 o 12.07975 5.774261 -20.85091      19.24170 -7.204176      26.12384 -37.03419      28.44827 16.18394 7.393915 13.77556 6.691748 2.408375       9.972435 
1 1 1 -23 24 21 o 14.26677 6.477897 -5.840677      19.66389 -23.04460      27.13362 13.18929       28.53731 14.61071 6.948436 19.85069 8.430517 -5.239972      10.92494 
1 1 1 -23 24 22 o 23.95594 7.965013 34.53719       21.83085 17.20000       32.89040 48.19013       29.18723 21.14464 9.017768 27.28973 9.211669 -6.145090      12.89089 
1 1 1 -23 24 23 o 18.31658 7.332642 14.48808       19.94136 43.58200       27.88371 -15.97035      28.53009 26.15802 9.000162 15.70060 7.361859 10.45742       11.62755 
1 1 1 -23 24 24 o 24.57951 7.643272 36.65412       20.33329 45.67752       28.32134 27.05523       29.21050 26.53948 9.072459 22.30300 8.892693 4.236481       12.70392 
1 1 1 -23 24 25 o 16.18068 6.924244 5.679385       19.51052 14.06709       27.04083 -3.428889      28.17840 19.49876 8.240387 17.03873 7.743611 2.460035       11.30785 
1 1 1 -23 24 26 f 16.99137 7.348580 6.176643       22.42333 -5.315082      27.17569 30.69000       39.69075 16.45670 7.527149 23.60118 9.979257 -7.144484      12.49974 
1 1 1 -23 24 27 o 28.37951 7.345300 49.09932       20.56065 33.75455       28.89774 64.83119       29.25995 23.38584 8.983495 31.10758 9.060381 -7.721735      12.75906 
1 1 1 -23 24 28 o 22.20006 7.529618 29.89556       19.50227 15.42279       27.60963 44.30713       27.55120 19.54371 8.295940 25.77307 8.942655 -6.229359      12.19810 
1 1 1 -23 24 29 o 23.03563 7.587554 32.79666       19.82439 25.17910       27.78799 40.69228       28.29062 21.33766 8.616094 24.75498 9.011978 -3.417320      12.46807 
1 1 1 -23 24 30 o 29.44333 7.112573 52.69033       20.26655 66.22356       29.13661 40.00563       28.20839 31.18742 9.028924 24.54333 8.988890 6.644081       12.74055 
1 1 1 -23 24 31 o 17.36598 7.133448 12.28497       19.44187 9.795853       27.77086 14.67757       27.22711 18.55521 8.099710 19.27548 8.212175 -0.7202682     11.53452 
1 1 1 -23 24 32 o 14.17493 6.412047 -3.145526      19.04876 -0.3739500     27.25044 -5.793931      26.63804 16.86338 7.644571 16.00028 7.367644 0.8630981      10.61704 
1 1 1 -23 24 33 f 20.56418 7.872414 24.34682       22.13992 36.30025       27.99466 4.385000       36.17668 23.57240 8.892378 19.18510 8.740442 4.387299       12.46875 
1 1 1 -23 24 34 o 16.80474 7.043165 10.15566       19.49631 5.321050       27.39648 15.11613       27.75082 17.66033 7.861603 19.28329 8.255122 -1.622953      11.39964 
1 1 1 -23 24 35 o 18.19028 7.423218 15.25065       20.88128 -25.54000      32.01212 45.46029       27.54906 15.26131 7.335287 25.70179 8.940906 -10.44048      11.56487 
1 1 1 -23 24 36 o 12.41840 5.888665 -15.52373      19.21018 -37.15405      27.01226 6.610415       27.32504 12.93489 6.334744 17.79029 7.889238 -4.855399      10.11776 
1 1 1 -23 24 37 f 15.04217 6.680225 1.387362       19.66254 11.71388       27.54382 -9.343525      28.07793 18.54554 8.081492 15.79632 7.372967 2.749219       10.93943 
1 1 1 -23 24 38 o 21.58654 7.736730 29.09128       20.74971 37.31692       29.42915 20.95957       29.26062 23.48619 9.054343 20.31206 8.577407 3.174122       12.47209 
1 1 1 -23 24 39 o 15.30689 6.773032 2.804642       20.03146 -16.73364      27.83531 23.79249       28.84941 14.83556 7.050314 20.59893 8.595749 -5.763372      11.11728 
1 1 1 -23 24 40 o 18.55352 7.436373 18.44491       20.53486 7.874011       28.56903 29.74388       29.53649 17.85859 7.983688 21.57337 8.819184 -3.714783      11.89610 
1 1 1 -23 24 41 o 20.53178 7.685921 26.84320       20.82691 42.58012       28.74530 9.453405       30.21720 23.99568 9.019730 18.16747 8.159376 5.828209       12.16269 
1 1 1 -23 24 42 o 29.86938 8.410213 63.05176       25.62684 57.24677       30.71857 76.34000       46.47657 26.89601 9.435407 27.71813 11.16044 -0.8221264     14.61446 
1 1 1 -23 25 1  o 37.43283 5.080092 74.27921       18.13367 79.17181       33.83279 72.30720       21.47950 35.48238 9.537314 36.22269 6.285950 -0.7403030     11.42250 
1 1 1 -23 25 2  o 35.70158 5.464189 68.44659       18.48847 72.05257       32.96689 66.79206       22.33074 33.79961 9.546594 34.41873 6.869109 -0.6191177     11.76104 
1 1 1 -23 25 3  o 37.93666 5.205438 76.56188       18.82043 58.53070       32.91743 85.31875       22.93972 30.36474 9.761485 39.50178 6.131569 -9.137041      11.52748 
1 1 1 -23 25 4  o 27.55547 8.139026 45.17433       23.47023 60.42990       32.06147 27.56000       34.45104 30.91180 9.595334 23.73187 9.589781 7.179928       13.56593 
1 1 1 -23 25 5  o 15.95401 7.104198 -2.264324      22.38946 -37.03334      30.32845 39.38000       33.19189 14.50926 7.015035 25.92427 9.703202 -11.41501      11.97342 
1 1 1 -23 25 6  o 34.40034 7.481683 68.37761       24.47334 77.61687       32.63199 56.50000       36.99896 35.26387 9.316103 29.59652 10.35716 5.667351       13.93056 
1 1 1 -23 25 7  o 41.41481 5.135946 90.94105       20.37420 62.89687       32.78963 108.5781       26.00327 31.41875 9.695429 44.62431 6.113765 -13.20556      11.46209 
1 1 1 -23 25 8  o 34.52521 5.869733 65.07487       19.12696 48.87040       31.78080 74.27770       23.95013 27.98397 9.609265 36.18162 7.015865 -8.197655      11.89791 
1 1 1 -23 25 9  o 23.18044 7.237628 30.70815       18.21230 34.07880       29.81420 28.70168       23.00293 24.50140 9.190944 22.72666 8.145900 1.774740       12.28125 
1 1 1 -23 25 10 o 13.79334 6.392683 -11.94813      20.53285 20.06000       51.90199 -17.88706      22.35672 24.58436 10.88903 13.70172 6.453443 10.88264       12.65772 
1 1 1 -23 25 11 o 26.85508 7.706257 42.68165       21.31350 71.36000       50.26364 36.39472       23.53403 31.52709 11.91044 24.81087 8.270427 6.716223       14.50030 
1 1 1 -23 25 12 o 26.44522 7.792950 41.58276       21.53749 9.267000       50.75413 48.67995       23.78524 23.16533 10.47385 28.38630 8.139337 -5.220972      13.26463 
1 1 1 -23 25 13 o 41.98746 5.831891 96.10560       23.32203 75.03000       52.94119 101.1805       25.97862 31.78045 12.17171 42.65604 6.420898 -10.87559      13.76149 
1 1 1 -23 25 14 o 28.85151 7.133857 48.44351       20.03176 -10.31819      29.94450 96.04005       26.94993 16.92691 7.800539 41.11816 6.943007 -24.19125      10.44288 
1 1 1 -23 25 15 o 58.27255 4.500860 177.1801       25.47353 156.6000       42.94194 188.3543       31.64222 50.41462 9.033815 59.18449 5.525886 -8.769871      10.58986 
1 1 1 -23 25 16 o 13.44359 6.235904 -11.36344      19.60111 -17.19610      27.47098 -5.314255      27.97625 15.37713 7.214560 16.96887 7.713400 -1.591742      10.56155 
1 1 1 -23 25 17 o 20.41668 7.924392 20.70276       22.65538 30.85476       27.83539 0.7799000      38.99395 23.32447 8.851573 20.16882 9.143643 3.155649       12.72622 
1 1 1 -23 25 18 o 16.62754 7.072692 6.292219       20.13914 -10.23742      27.39977 25.71545       29.70133 16.13419 7.444725 22.36091 8.949869 -6.226721      11.64148 
1 1 1 -23 25 19 o 24.78130 7.657934 36.80140       20.44775 33.40847       28.26770 40.52528       29.61426 23.81652 8.946161 25.48837 9.228822 -1.671850      12.85321 
1 1 1 -23 25 20 o 17.82261 7.389996 11.18072       21.12956 12.87000       30.47580 9.617027       29.32106 20.02740 8.613574 19.29252 8.373260 0.7348785      12.01271 
1 1 1 -23 25 21 o 29.40602 7.748782 52.67057       22.61269 18.01000       33.12511 82.91795       30.94449 21.24182 9.054260 36.11423 8.829057 -14.87241      12.64642 
1 1 1 -23 25 22 o 17.30349 7.150731 10.67044       19.69242 1.188695       26.59111 22.18623       29.30481 17.29726 7.719639 21.34655 8.762064 -4.049294      11.67761 
1 1 1 -23 25 23 o 39.71168 5.842810 87.61795       22.03325 68.59911       30.70347 107.8108       31.63693 32.11962 9.259388 42.12086 7.965173 -10.00124      12.21394 
1 1 1 -23 25 24 o 21.59095 8.103251 26.69660       23.18126 12.74912       28.33435 54.93000       40.31318 19.40771 8.325582 27.65580 10.61391 -8.248081      13.48964 
1 1 1 -23 25 25 o 46.48693 6.402989 123.3161       28.36226 128.0000       60.75467 122.0109       32.07146 37.02452 13.24222 45.07214 7.535303 -8.047611      15.23604 
1 1 1 -23 25 26 o 43.23057 6.216076 106.5186       25.54818 86.46120       31.02162 148.8000       45.04037 36.28762 8.820857 46.03858 10.25747 -9.750957      13.52861 
1 1 1 -23 25 27 o 28.91033 7.254118 51.07307       20.49179 16.00523       28.27649 89.86039       29.73828 19.71129 8.382381 37.57526 8.306618 -17.86397      11.80103 
1 1 1 -23 25 28 o 17.75802 7.155927 14.33218       19.12436 9.490054       26.71666 19.42060       27.38770 18.26719 7.959725 20.11103 8.382343 -1.843842      11.55945 
1 1 1 -23 25 29 o 17.34806 7.119975 12.40091       19.34717 13.65211       27.13472 11.10708       27.59310 19.04547 8.158351 18.69840 8.119040 0.3470669      11.50989 
1 1 1 -23 25 30 o 17.82206 7.233846 14.16223       19.70275 2.005599       27.88505 26.28205       27.84280 17.37373 7.817578 21.48531 8.642599 -4.111584      11.65371 
1 1 1 -23 25 31 o 24.25982 7.560940 37.13343       19.88535 33.85916       28.14180 40.39856       28.10251 22.97956 8.855392 24.46909 8.970328 -1.489531      12.60495 
1 1 1 -23 25 32 o 31.43993 7.687783 62.37505       23.45814 64.59683       29.93555 58.84000       37.76027 30.29420 9.248307 27.63673 10.34835 2.657473       13.87875 
1 1 1 -23 25 33 o 11.78117 5.658892 -20.29695      18.98144 -6.445427      27.05464 -33.72497      26.63783 15.96517 7.377731 13.10467 6.390377 2.860500       9.760525 
1 1 1 -23 25 34 o 29.12987 7.665731 53.94857       22.14971 78.66000       34.47483 36.57704       28.90495 32.61745 9.918225 23.48226 8.993706 9.135187       13.38872 
1 1 1 -23 25 35 o 22.76345 7.640039 32.86365       20.07851 5.991070       28.33241 59.97615       28.45860 17.83764 7.964084 29.20817 9.035757 -11.37054      12.04456 
1 1 1 -23 25 36 o 13.03436 6.084092 -10.20328      19.12281 3.354975       26.75925 -24.35383      27.33750 17.09086 7.676888 14.04302 6.757121 3.047845       10.22709 
1 1 1 -23 25 37 o 19.29442 7.457582 20.88334       20.00200 22.35547       28.56603 19.46733       28.01619 20.44058 8.543303 19.86553 8.391150 0.5750484      11.97495 
1 1 1 -23 25 38 o 27.80859 7.464368 49.71582       20.74137 38.78441       29.32772 60.65472       29.33775 23.52081 9.046283 28.77700 9.211926 -5.256197      12.91103 
1 1 1 -23 25 39 o 27.74219 7.544141 50.23579       21.02221 81.53041       29.48173 17.86482       29.98443 34.13943 8.774929 19.50217 8.465828 14.63727       12.19302 
1 1 1 -23 25 40 o 19.29991 7.552578 22.23112       20.71436 30.13654       28.70446 13.64054       29.92255 21.33188 8.704099 18.66576 8.267710 2.666121       12.00485 
1 1 1 -23 25 41 f 30.17681 8.477502 64.90104       26.06944 66.45510       31.16551 61.28000       47.57265 28.94345 9.512481 25.31058 10.82128 3.632870       14.40790 
1 1 1 -23 26 1  o 54.51929 4.857944 156.1787       25.65316 102.2487       35.89191 212.5000       36.67900 40.51110 9.254684 62.49825 6.072195 -21.98714      11.06891 
1 1 1 -23 26 2  o 38.51112 5.317353 79.49445       19.50983 33.35847       32.26484 106.0863       24.49538 24.43253 9.464034 44.22574 5.798020 -19.79321      11.09887 
1 1 1 -23 26 3  o 35.22481 5.795300 67.75053       19.28734 8.408758       32.14853 101.1207       24.10793 20.03546 8.730830 43.11363 5.864564 -23.07818      10.51763 
1 1 1 -23 26 4  o 55.04295 4.120122 156.2178       22.03715 121.8571       36.23331 176.3900       27.76219 45.05392 8.528385 57.87161 4.948407 -12.81768      9.860024 
1 1 1 -23 26 5  o 54.84138 4.144697 155.2102       22.08415 108.6946       35.47494 184.6436       28.21905 42.13368 8.882089 59.23920 4.910701 -17.10552      10.14921 
1 1 1 -23 26 6  o 18.31237 7.664141 10.26929       23.03593 7.162003       29.88298 14.82000       36.16367 19.33789 8.422348 21.67272 9.352617 -2.334837      12.58600 
1 1 1 -23 26 7  f 47.64254 5.792382 123.2090       26.45771 95.68679       33.97778 165.6000       42.16870 39.24152 9.033137 52.62472 8.474133 -13.38319      12.38582 
1 1 1 -23 26 8  o 33.66702 7.754505 67.19965       25.02724 66.08254       31.89338 68.99000       40.37594 31.98577 9.498008 31.56652 10.83130 0.4192524      14.40587 
1 1 1 -23 26 9  o 36.49474 5.848310 73.00423       20.18608 62.23597       31.12123 80.82494       26.52202 31.09838 9.416688 37.19025 7.543997 -6.091875      12.06590 
1 1 1 -23 26 10 o 39.02849 5.506281 82.42488       20.45139 32.84018       31.05228 120.4099       27.17853 24.08063 9.296133 46.82430 6.072825 -22.74366      11.10393 
1 1 1 -23 26 11 o 23.42406 7.509727 32.01547       19.49184 29.95050       30.80752 33.39387       25.17028 23.43554 9.198824 23.86406 8.524777 -0.4285221     12.54154 
1 1 1 -23 26 12 o 14.77548 6.730829 -6.785942      21.44691 -61.73000      51.78926 4.587073       23.56227 17.82383 8.737825 17.27932 7.502741 0.5445137      11.51698 
1 1 1 -23 26 13 o 20.19645 7.865289 19.94812       22.37721 -47.82000      52.00554 35.34590       24.78939 18.65370 9.058221 24.31058 8.479747 -5.656883      12.40796 
1 1 1 -23 26 14 o 46.54933 6.128266 119.7702       27.24511 -13.78000      58.00028 157.5824       30.86200 21.86828 10.32865 53.59404 5.985083 -31.72576      11.93743 
1 1 1 -23 26 15 o 45.85776 8.386947 127.4854       36.25951 49.12000       59.37191 174.1000       45.79099 27.70036 11.96880 52.73751 9.205328 -25.03715      15.09935 
1 1 1 -23 26 16 o 42.63572 6.626951 102.9068       26.75840 90.58629       33.50621 124.6000       44.46035 37.62054 9.181112 42.52152 10.69401 -4.900978      14.09449 
1 1 1 -23 26 17 o 13.81517 6.432980 -12.34258      21.17293 14.31000       32.89630 -31.19204      27.66475 20.68043 8.922234 13.95126 6.734102 6.729164       11.17830 
1 1 1 -23 26 18 o 27.89542 7.525719 47.02588       21.01895 69.62041       29.35197 23.24418       30.11321 32.88329 8.902651 21.72249 8.895374 11.16081       12.58511 
1 1 1 -23 26 19 o 17.03656 7.507884 2.951659       24.37703 -5.480000      30.59881 17.60000       40.33130 17.40982 7.972147 22.09352 9.699523 -4.683704      12.55531 
1 1 1 -23 26 20 o 15.02414 6.679406 -0.6747380     19.71113 -26.49746      26.87785 29.37371       28.99376 14.05824 6.747742 22.68942 8.918519 -8.631182      11.18356 
1 1 1 -23 26 21 o 23.47168 7.741378 33.41755       20.63395 16.26612       28.05219 53.63652       30.45763 20.01617 8.422434 28.22522 9.408664 -8.209053      12.62776 
1 1 1 -23 26 22 o 45.18429 5.282826 111.1625       22.92421 88.74954       31.72476 135.6530       33.16247 37.03320 8.869024 47.92464 7.299600 -10.89145      11.48668 
1 1 1 -23 26 23 o 17.65146 7.301247 12.01675       20.55591 52.41364       27.80904 -36.64246      30.52070 27.99829 8.969332 14.16626 6.892856 13.83202       11.31196 
1 1 1 -23 26 24 o 56.43589 4.507343 169.2404       24.69224 157.6755       34.93664 180.7834       34.90358 51.62975 7.101027 56.09855 6.475102 -4.468803      9.609971 
1 1 1 -23 26 25 o 25.49258 7.604785 40.69954       20.40911 39.95057       28.07548 41.53884       29.72038 24.58420 8.973401 24.89141 9.207645 -0.3072071     12.85701 
1 1 1 -23 26 26 o 19.50720 7.405895 20.97721       19.49023 0.3985284      26.78623 44.13019       28.41229 16.89555 7.626850 25.47066 9.061648 -8.575111      11.84408 
1 1 1 -23 26 27 o 31.38100 6.934354 59.23845       20.73189 39.74444       28.49756 81.15515       30.21654 24.38856 9.017211 34.84960 8.844618 -10.46104      12.63081 
1 1 1 -23 26 28 o 23.21740 7.693425 33.73985       20.37177 24.76828       28.52809 43.07505       29.10049 21.23116 8.671885 25.16230 9.143044 -3.931137      12.60146 
1 1 1 -23 26 29 o 40.41763 5.707471 92.03834       21.95213 101.3356       31.55962 83.32368       30.55474 39.58640 8.404865 35.19079 8.873624 4.395603       12.22223 
1 1 1 -23 26 30 o 15.82916 7.063096 1.321178       22.24929 -1.226813      27.62265 6.028000       37.54311 16.78619 7.643649 19.51761 8.896579 -2.731422      11.72921 
1 1 1 -23 26 31 o 16.74399 7.256023 7.234910       21.94972 17.77792       28.05737 -9.396000      35.23894 19.72494 8.367496 17.43169 8.176173 2.293243       11.69892 
1 1 1 -23 26 32 f 16.93333 7.062079 10.98633       19.45668 13.26696       28.07426 8.878531       26.98960 18.95530 8.210235 18.06377 7.932375 0.8915272      11.41624 
1 1 1 -23 26 33 o 16.84348 7.155226 9.484062       20.56574 17.13000       31.44147 3.766680       27.18855 20.01963 8.679885 17.31351 7.760599 2.706114       11.64334 
1 1 1 -23 26 34 o 16.11436 6.902896 7.498199       19.42661 27.89584       27.42910 -13.03169      27.51787 21.44004 8.594098 15.21672 7.164744 6.223315       11.18893 
1 1 1 -23 26 35 o 20.77716 7.575795 26.42891       20.00334 33.34957       28.67189 19.86599       27.92104 22.56468 8.869062 19.90462 8.390641 2.660063       12.20914 
1 1 1 -23 26 36 o 20.86502 7.640197 26.90452       20.37708 67.73857       29.24975 -11.60206      28.40393 30.83593 9.080302 15.53531 7.303659 15.30062       11.65313 
1 1 1 -23 26 37 o 16.60255 7.025739 10.21963       19.69971 29.21848       28.09633 -8.152139      27.62876 21.46734 8.665437 15.64169 7.305063 5.825651       11.33374 
1 1 1 -23 26 38 o 17.01324 7.141496 12.27556       20.09185 -6.354598      27.79511 32.66307       29.07651 15.78064 7.355704 21.97544 8.834701 -6.194798      11.49601 
1 1 1 -23 26 39 o 18.95594 7.486015 21.10908       20.51283 26.82397       28.33140 14.81229       29.73880 20.61473 8.553314 18.74650 8.275697 1.868237       11.90153 
1 1 1 -23 26 40 o 24.00509 9.062818 44.39244       29.09124 44.39244       29.09124 0.000000       0.000000 24.00509 9.062818 ?        ?        ?              ?        
1 1 1 -23 27 1  o 40.94719 5.106979 89.56007       20.02517 29.43053       34.73191 119.5023       24.50905 23.68751 9.608134 47.13716 5.409925 -23.44966      11.02649 
1 1 1 -23 27 2  o 30.02795 6.596642 51.39149       18.85798 20.52807       32.98719 66.37482       22.98410 21.93984 9.176061 33.83535 7.163332 -11.89551      11.64102 
1 1 1 -23 27 3  o 23.46298 7.287844 32.06602       18.49196 -16.35678      31.35737 57.88462       22.89713 16.58410 7.757344 31.25091 7.566918 -14.66681      10.83673 
1 1 1 -23 27 4  f 26.69537 7.136087 41.72522       19.00524 5.065371       31.92997 61.83917       23.65113 19.34989 8.557098 32.29231 7.608324 -12.94242      11.45035 
1 1 1 -23 27 5  o 45.30860 4.728177 108.2639       20.66090 110.5417       34.68731 107.0114       25.72141 42.50828 8.631674 44.00993 6.137601 -1.501648      10.59131 
1 1 1 -23 27 6  o 47.07619 5.341657 119.1128       24.17947 54.01000       56.18428 133.9112       26.78699 28.36215 11.92606 49.72648 5.600681 -21.36433      13.17568 
1 1 1 -23 27 7  o 42.93297 6.431185 103.1914       26.19550 52.56366       32.43248 198.2000       44.42907 28.32918 9.707952 57.78950 8.074498 -29.46032      12.62703 
1 1 1 -23 27 8  o 21.84943 8.241621 25.98991       24.04591 22.82812       29.75661 31.94000       40.82054 21.82977 8.879053 24.52943 10.22950 -2.699657      13.54549 
1 1 1 -23 27 9  o 23.24277 8.463292 31.35772       24.95250 21.37567       30.94562 49.91000       42.18792 21.71059 8.967203 27.50068 10.77348 -5.790087      14.01708 
1 1 1 -23 27 10 o 19.09296 7.982439 12.88038       24.94958 -5.811181      30.42306 51.27000       43.60005 17.48546 7.984966 27.69198 10.92079 -10.20652      13.52861 
1 1 1 -23 27 11 o 74.18359 4.525347 287.7924       32.70354 175.8000       63.52483 328.1777       38.14708 46.81136 13.26237 78.71135 4.976764 -31.89999      14.16540 
1 1 1 -23 27 12 o 49.65256 4.852830 130.7956       23.28463 84.78994       35.29371 166.2527       30.98442 35.66070 9.806722 55.11738 5.831463 -19.45668      11.40955 
1 1 1 -23 27 13 o 16.50650 7.321429 0.6315453      23.54523 47.07000       54.83774 -9.864394      26.07062 27.09759 11.60253 15.73493 7.261003 11.36266       13.68725 
1 1 1 -23 27 14 o 26.89362 9.675071 47.66448       32.48335 14.57000       56.31020 64.17000       39.76709 23.64665 10.82306 29.92533 10.71233 -6.278679      15.22802 
1 1 1 -23 27 15 o 18.47571 8.398884 -1.598573      33.17616 -93.88000      56.57366 46.77000       40.95800 16.93433 8.446334 26.51715 10.54417 -9.582813      13.51000 
1 1 1 -23 27 16 o 18.65270 7.950040 10.81706       25.53469 1.348000       57.84150 13.10915       28.45785 22.57539 10.55194 19.62061 8.378552 2.954779       13.47381 
1 1 1 -23 27 17 o 18.65027 7.608007 14.69872       21.92359 47.88000       34.77033 -7.198396      28.24591 26.63701 9.939036 16.55114 7.608697 10.08587       12.51706 
1 1 1 -23 27 18 o 25.55718 8.062404 40.82553       22.54186 11.65000       34.30924 62.98604       29.90141 20.27774 8.922733 30.69770 9.216064 -10.41996      12.82774 
1 1 1 -23 27 19 o 13.75849 6.427228 -12.68970      21.41019 12.02000       32.25302 -32.15627      28.62737 19.97854 8.724808 14.05073 6.798689 5.927806       11.06094 
1 1 1 -23 27 20 o 13.04933 6.266025 -24.03338      23.23055 -22.58740      27.95535 -27.26000      41.75975 14.67453 6.999543 17.57615 8.429597 -2.901616      10.95681 
1 1 1 -23 27 21 o 22.23062 8.847815 28.57858       28.86507 28.57858       28.86507 0.000000       0.000000 22.23062 8.847815 ?        ?        ?              ?        
1 1 1 -23 27 22 f 31.59640 8.688578 66.13367       27.70511 55.61000       57.75146 69.27960       31.57580 26.74606 11.67767 31.46775 9.475846 -4.721687      15.03860 
1 1 1 -23 27 23 o 20.85333 7.715532 25.44827       20.87034 32.81625       28.79814 17.29796       30.28846 22.93486 8.925222 20.16054 8.627345 2.774321       12.41333 
1 1 1 -23 27 24 o 35.19805 6.441820 72.26711       21.37628 49.61149       29.40918 97.64339       31.12498 26.68101 9.240247 38.92494 8.414739 -12.24393      12.49760 
1 1 1 -23 27 25 o 45.45777 5.216734 113.6419       22.79189 104.2784       32.01175 123.2683       32.45808 40.24037 8.399006 44.70422 7.695239 -4.463852      11.39122 
1 1 1 -23 27 26 o 46.89627 5.013571 119.8256       22.65734 78.66569       31.38940 164.5975       32.73776 33.78378 9.231529 53.43066 6.385984 -19.64687      11.22506 
1 1 1 -23 27 27 o 26.60607 7.672937 45.04847       21.07982 -0.6162054     29.36926 93.57015       30.27407 17.26499 7.869375 38.03854 8.359506 -20.77355      11.48078 
1 1 1 -23 27 28 o 28.76324 7.398523 51.76727       20.94773 5.082752       28.96281 102.9764       30.33387 17.89792 8.017151 40.36700 7.960061 -22.46908      11.29767 
1 1 1 -23 27 29 o 39.43550 6.929986 93.24319       25.77434 81.97157       32.12709 113.6000       43.17510 34.14314 9.343299 37.94258 10.99277 -3.799450      14.42700 
1 1 1 -23 27 30 o 20.07955 7.588661 23.42030       20.40915 16.99020       28.55072 30.13952       29.18554 19.61878 8.385375 22.09213 8.861733 -2.473356      12.20020 
1 1 1 -23 27 31 o 13.56098 6.257504 -7.267680      19.35896 23.43034       28.08493 -35.05716      26.72135 20.69116 8.544074 12.98501 6.346818 7.706144       10.64346 
1 1 1 -23 27 32 o 17.31270 7.290608 11.46225       21.04563 15.69000       33.22560 8.629438       27.19737 19.96876 8.783950 17.99670 7.930690 1.972059       11.83442 
1 1 1 -23 27 33 o 20.94341 7.578517 27.07050       19.96599 11.74758       28.77041 41.30588       27.73064 18.65918 8.191989 24.34794 8.913232 -5.688757      12.10596 
1 1 1 -23 27 34 o 28.65135 7.277005 51.65620       20.44384 68.43642       29.07091 35.23804       28.75558 31.13302 9.020391 22.92753 8.919680 8.205486       12.68575 
1 1 1 -23 27 35 o 14.05926 6.370132 -2.356716      18.89262 -20.27188      26.36729 16.54493       27.08351 14.05722 6.730265 19.06458 8.158237 -5.007357      10.57607 
1 1 1 -23 27 36 o 20.69662 7.504402 26.94223       19.59027 29.13515       27.33822 24.62761       28.08659 21.33937 8.570862 20.49762 8.511502 0.8417473      12.07913 
1 1 1 -23 27 37 o 15.82119 6.836722 7.418633       19.37586 23.28019       26.74973 -10.08914      28.10360 19.97746 8.301919 15.38459 7.242797 4.592862       11.01726 
1 1 1 -23 27 38 f 14.73954 6.601736 1.675088       19.63357 -2.339679      26.53590 6.531415       29.18487 15.81665 7.308232 17.45592 7.912415 -1.639271      10.77110 
1 1 1 -23 28 1  o 47.83532 4.603132 120.4627       21.28724 43.93501       34.26207 168.5774       27.16707 26.24876 9.851383 56.32212 4.979081 -30.07337      11.03816 
1 1 1 -23 28 2  o 42.27107 5.015462 95.48122       20.34805 49.58558       33.16156 123.1963       25.76959 27.49200 9.788806 47.56601 5.644764 -20.07402      11.29974 
1 1 1 -23 28 3  f 25.11249 7.329992 37.42995       19.13262 51.40078       31.71082 29.43312       23.99138 27.98980 9.599098 22.64097 8.290188 5.348837       12.68345 
1 1 1 -23 28 4  o 27.43086 7.108939 44.32374       19.24202 48.93028       32.25173 41.77777       23.97687 27.36006 9.662179 26.01621 8.327826 1.343849       12.75580 
1 1 1 -23 28 5  o 24.44409 8.698349 36.34597       26.18110 6.331897       32.51020 91.73000       44.16208 19.50040 8.628559 35.27947 11.30306 -15.77907      14.22010 
1 1 1 -23 28 6  o 63.88623 4.541653 214.0755       28.21541 162.4334       38.15450 276.4000       41.91537 52.56979 7.638205 70.78054 6.109722 -18.21075      9.781149 
1 1 1 -23 28 7  o 31.16707 6.785120 56.20306       20.11098 50.54332       32.11443 59.85460       25.79524 27.67162 9.651648 31.00837 8.324660 -3.336750      12.74576 
1 1 1 -23 28 8  o 15.25545 6.709783 0.7632695      19.38127 -14.53194      30.05763 11.64825       25.35660 16.29042 7.611767 18.85054 7.973676 -2.560116      11.02354 
1 1 1 -23 28 9  o 13.18038 6.307218 -23.38540      23.09214 -37.79923      28.20123 5.944000       40.22813 13.54777 6.599509 20.73238 9.353850 -7.184616      11.44762 
1 1 1 -23 28 10 f 21.68059 8.292074 26.01064       24.54815 10.00294       30.23899 56.95000       42.03960 19.46659 8.475469 28.28355 10.84286 -8.816965      13.76231 
1 1 1 -23 28 11 o 28.19982 8.531977 50.66628       25.55552 69.22608       31.61235 15.66000       43.41532 32.18878 9.429451 22.21415 9.892187 9.974628       13.66638 
1 1 1 -23 28 12 o 12.82326 6.176872 -26.24724      22.98936 -34.95176      28.89032 -11.22000      37.95940 13.95020 6.768895 18.39428 8.581321 -4.444085      10.92964 
1 1 1 -23 28 13 o 10.82429 5.368400 -43.61840      21.58843 -47.09475      27.92023 -38.45000      34.04364 12.71911 6.270679 15.09122 7.328415 -2.372109      9.645055 
1 1 1 -23 28 14 o 23.05417 7.810758 32.13616       20.98538 39.51534       31.20952 26.04659       28.35153 24.85745 9.386452 21.90096 8.751430 2.956497       12.83328 
1 1 1 -23 28 15 o 47.34986 6.390774 127.2630       28.86402 69.67000       63.11894 142.4913       32.45648 28.99376 12.43179 49.62838 6.865009 -20.63462      14.20133 
1 1 1 -23 28 16 f 38.03822 8.587439 91.86624       31.21351 0.000000       0.000000 91.86624       31.21351 ?        ?        38.03822 8.587439 ?              ?        
1 1 1 -23 28 17 o 27.10734 8.911668 48.66412       27.35218 -2.277000      65.32542 59.49341       30.11952 22.66895 10.78090 29.55473 9.318997 -6.885775      14.25031 
1 1 1 -23 28 18 o 15.58350 6.889183 1.476832       20.67903 3.487787       29.43360 -0.4832780     29.05912 18.06150 8.086864 17.44022 7.901331 0.6212826      11.30612 
1 1 1 -23 28 19 o 22.49644 8.449489 30.98064       25.21479 18.47788       31.07241 55.09000       43.14842 20.53009 8.760615 27.04604 10.79997 -6.515942      13.90639 
1 1 1 -23 28 20 o 15.38278 7.168969 -10.60861      26.38288 -44.55000      56.05555 -0.9505983     29.90182 18.65882 9.135380 17.43180 7.943475 1.227024       12.10595 
1 1 1 -23 28 21 o 22.45425 8.220163 31.35404       23.58598 37.32000       36.53266 27.09001       30.88527 23.94577 9.800853 21.87294 8.988538 2.072828       13.29852 
1 1 1 -23 28 22 o 20.55900 8.232455 23.29735       25.14241 20.89331       29.87793 29.13000       46.53848 20.59378 8.680344 23.15694 10.28101 -2.563166      13.45539 
1 1 1 -23 28 23 f 23.80443 8.008418 36.41361       22.06059 46.15773       30.66413 25.95953       31.76157 25.64060 9.374995 21.61945 9.020197 4.021151       13.00978 
1 1 1 -23 28 24 f 17.25637 7.287383 10.50384       21.12260 10.01401       30.27867 10.96820       29.48103 18.91785 8.350945 18.92556 8.301233 -0.7709503E-02 11.77492 
1 1 1 -23 28 25 o 26.76528 7.787930 45.95435       21.62802 45.27579       30.47041 46.64337       30.70421 25.42180 9.337126 25.71463 9.384395 -0.2928276     13.23816 
1 1 1 -23 28 26 o 15.97864 6.958105 5.243833       20.38849 16.51757       28.90874 -5.913582      28.75921 19.60015 8.408863 16.40368 7.589605 3.196463       11.32745 
1 1 1 -23 28 27 o 29.72933 7.429038 55.42269       21.55591 58.68700       30.24701 52.05373       30.72800 28.54814 9.370662 26.83825 9.435146 1.709883       13.29779 
1 1 1 -23 28 28 o 21.41909 8.174597 28.18788       23.82440 -1.761145      29.20049 87.82000       41.20396 16.97312 7.778042 32.71440 10.94411 -15.74128      13.42652 
1 1 1 -23 28 29 o 30.06239 7.385502 56.67450       21.57334 41.93395       30.61495 71.21333       30.40474 24.46319 9.283171 31.68463 9.238054 -7.221439      13.09652 
1 1 1 -23 28 30 o 28.90586 7.925879 54.46949       23.09241 41.67000       37.01032 62.62899       29.55004 24.22474 9.883866 29.59384 9.215971 -5.369102      13.51388 
1 1 1 -23 28 31 o 13.29865 6.193797 -9.400640      19.64450 10.56089       29.14748 -26.01436      26.59118 18.52982 8.185952 13.64616 6.590605 4.883665       10.50932 
1 1 1 -23 28 32 o 15.01679 6.656611 2.038072       19.43399 31.49786       27.97906 -25.42440      27.01396 22.08087 8.735727 13.80003 6.659449 8.280836       10.98459 
1 1 1 -23 28 33 o 14.84507 6.588780 1.661395       19.09953 26.80541       27.22518 -22.70601      26.80143 21.07027 8.521123 13.98108 6.717841 7.089188       10.85076 
1 1 1 -23 28 34 o 14.00528 6.383071 -3.293172      19.31780 29.47935       27.52653 -35.09793      27.11706 21.45137 8.605677 12.95127 6.343652 8.500105       10.69110 
1 1 1 -23 28 35 o 21.95530 7.612648 31.57674       19.96385 43.23500       28.25504 19.95454       28.21130 24.27410 8.978062 19.57162 8.349459 4.702478       12.26047 
1 1 1 -23 28 36 o 14.67059 6.558366 1.622634       19.27779 5.609019       26.73476 -2.695090      27.82365 16.96819 7.643172 16.09703 7.453816 0.8711662      10.67602 
1 1 1 -23 28 37 o 27.43063 7.466213 50.00556       20.57915 32.54295       28.56580 68.84724       29.67234 21.60681 8.731886 29.98780 9.217566 -8.380995      12.69683 
1 1 1 -23 29 1  o 39.22644 5.530039 84.39954       20.64462 14.73190       33.15416 128.5191       26.38384 20.64133 8.931362 48.37310 5.680326 -27.73177      10.58467 
1 1 1 -23 29 2  o 40.19616 5.455401 88.33527       20.91084 47.28290       34.32508 112.5619       26.36872 26.59187 9.884329 44.81386 6.175324 -18.22199      11.65481 
1 1 1 -23 29 3  o 27.00325 7.302419 43.85406       19.76181 47.08464       33.13533 42.07064       24.61949 26.58235 9.741245 25.81950 8.452942 0.7628555      12.89744 
1 1 1 -23 29 4  o 28.13741 7.228575 47.39217       20.01340 47.14961       33.66815 47.52471       24.88776 26.57300 9.805395 27.34824 8.448087 -0.7752361     12.94279 
1 1 1 -23 29 5  o 32.64861 6.666136 61.67554       20.58188 53.50563       34.08174 66.36540       25.82218 27.93408 9.926024 32.70047 8.107781 -4.766388      12.81648 
1 1 1 -23 29 6  o 36.16130 6.259472 74.02839       21.35395 -11.50077      33.72116 131.2873       27.59098 17.41983 8.113815 48.66561 5.913351 -31.24578      10.04001 
1 1 1 -23 29 7  o 28.38358 7.489332 48.90235       21.10570 -9.007866      32.97596 89.08553       27.46895 17.50039 8.107487 38.59591 7.541524 -21.09552      11.07276 
1 1 1 -23 29 8  o 35.17527 6.630824 71.39467       21.99316 31.58132       33.60607 101.2206       29.08710 23.40600 9.466653 41.22214 7.484385 -17.81614      12.06787 
1 1 1 -23 29 9  o 35.91724 6.485804 74.02052       21.96309 9.916635       32.62948 127.1237       29.69807 19.74349 8.694087 47.11791 6.621724 -27.37443      10.92860 
1 1 1 -23 29 10 o 31.27173 8.496395 62.76677       26.67814 50.99257       31.96242 89.81000       48.43991 27.32432 9.621415 33.17974 11.82899 -5.855419      15.24784 
1 1 1 -23 29 11 o 44.57388 8.275393 123.1871       34.77675 123.1871       34.77675 0.000000       0.000000 44.57388 8.275393 ?        ?        ?              ?        
1 1 1 -23 29 12 o 53.39249 7.423288 169.1286       37.74780 169.1286       37.74780 0.000000       0.000000 53.39249 7.423288 ?        ?        ?              ?        
1 1 1 -23 29 13 o 26.18264 8.619878 44.47447       25.58692 31.38214       31.42230 70.24000       44.08075 23.06495 9.214311 30.01848 11.19284 -6.953531      14.49769 
1 1 1 -23 29 14 o 18.26424 7.562848 13.51399       22.08793 32.76000       34.86340 0.6086370      28.54858 23.40153 9.575773 17.48069 7.883943 5.920837       12.40371 
1 1 1 -23 29 15 o 14.54599 6.679388 -6.886706      21.68323 -6.598000      33.18694 -7.101752      28.64205 17.57722 8.139698 16.47300 7.604827 1.104223       11.13948 
1 1 1 -23 29 16 o 19.68019 8.225073 17.42270       26.47553 41.27000       60.17756 11.69885       29.48215 25.32829 11.43272 19.18101 8.359671 6.147285       14.16302 
1 1 1 -23 29 17 o 31.75156 8.900476 68.15390       28.76872 23.10000       60.67345 81.22090       32.67537 23.59175 10.95286 34.12997 9.455511 -10.53822      14.46969 
1 1 1 -23 29 18 o 36.01036 8.471410 84.34782       29.35737 92.64000       60.58424 81.80325       33.56080 30.75096 12.60770 33.96983 9.644998 -3.218870      15.87388 
1 1 1 -23 29 19 o 34.47050 8.624057 78.63695       29.02350 90.53000       59.75925 74.96565       33.20234 30.40489 12.49976 32.23059 9.719335 -1.825706      15.83381 
1 1 1 -23 29 20 o 35.71645 6.859327 76.29422       23.10892 61.92652       33.14177 89.88970       32.23883 28.93188 9.815602 36.30078 9.093327 -7.368898      13.38038 
1 1 1 -23 29 21 o 22.06938 7.933523 30.38123       21.83686 33.17924       30.79331 27.55075       30.97144 22.84707 9.123513 21.79894 8.984056 1.048132       12.80436 
1 1 1 -23 29 22 o 13.09591 6.197217 -15.57132      21.06831 -20.89948      29.50366 -10.02731      30.09532 15.05420 7.183442 16.30843 7.618987 -1.254233      10.47143 
1 1 1 -23 29 23 f 12.83512 6.155519 -21.35153      22.26235 -37.97000      33.40371 -8.071338      29.86080 14.60970 7.131239 16.42838 7.646382 -1.818686      10.45570 
1 1 1 -23 29 24 o 25.97290 8.627880 46.09717       25.61701 50.98230       31.01478 35.61000       45.44224 26.49835 9.463207 23.57803 10.32506 2.920317       14.00569 
1 1 1 -23 29 25 o 20.14894 7.767047 23.43770       21.65441 39.04650       30.03029 6.530572       31.25430 23.90258 9.163982 18.44769 8.290656 5.454882       12.35773 
1 1 1 -23 29 26 o 23.18009 8.452803 35.48330       24.90367 21.44631       30.61094 62.96000       42.82743 20.53063 8.725830 27.52795 10.83356 -6.997316      13.91065 
1 1 1 -23 29 27 o 23.56489 8.473818 37.02686       24.91471 13.31262       30.36346 85.90000       43.58949 19.20850 8.424970 31.61641 11.22640 -12.40791      14.03610 
1 1 1 -23 29 28 o 19.59132 7.638526 21.61535       21.12511 26.09938       30.67524 17.57030       29.13507 21.29930 8.873896 19.68929 8.444314 1.610010       12.24959 
1 1 1 -23 29 29 o 31.00957 7.806866 62.22866       23.67683 77.02000       38.36065 53.12614       30.09283 30.76025 10.55743 26.90723 9.345490 3.853018       14.09956 
1 1 1 -23 29 30 o 17.81240 7.330231 14.75908       20.57815 3.569541       29.37027 25.54877       28.84075 17.53057 7.942766 20.91572 8.649596 -3.385147      11.74321 
1 1 1 -23 29 31 f 28.73176 7.350595 52.42381       20.75415 22.98458       30.05839 79.24540       28.69093 20.54708 8.685942 34.12630 8.595129 -13.57921      12.21973 
1 1 1 -23 29 32 o 15.78021 6.852181 6.267984       19.65538 22.36638       28.51334 -8.308291      27.13190 20.17147 8.489791 15.48677 7.234804 4.684703       11.15432 
1 1 1 -23 29 33 f 14.12031 6.413302 -2.262964      19.29130 8.872929       27.68618 -12.77153      26.89505 17.77061 7.907343 14.86768 7.025556 2.902930       10.57755 
1 1 1 -23 29 34 o 10.29849 5.088740 -33.00218      18.74989 -18.29355      26.27675 -48.25977      26.76262 14.05873 6.727682 11.84465 5.891753 2.214077       8.942843 
1 1 1 -23 29 35 o 27.99846 7.354022 51.61535       20.41007 68.76273       29.16346 35.15421       28.57395 30.10491 9.115649 22.10689 8.801603 7.998016       12.67136 
1 1 1 -23 29 36 o 20.14687 8.035670 26.32070       23.85942 44.05847       28.61211 -14.17000      43.22929 23.88915 8.994699 17.46305 8.426405 6.426105       12.32513 
1 1 1 -23 30 1  o 51.70598 5.441762 146.3027       27.12902 74.28000       59.63585 165.0967       30.46367 29.50529 12.33883 54.57941 5.790506 -25.07412      13.62999 
1 1 1 -23 30 2  o 18.58192 7.846796 12.43510       24.48814 0.5216215      29.82142 37.10000       42.90902 17.82559 8.046960 24.63435 10.39398 -6.808756      13.14490 
1 1 1 -23 30 3  o 52.43428 5.754353 152.2591       29.04904 97.09402       35.41468 265.7000       50.78509 37.93631 9.546285 66.03298 8.021558 -28.09667      12.46904 
1 1 1 -23 30 4  o 39.92613 5.819890 88.95466       22.07587 31.34050       33.54952 132.9484       29.31683 23.19833 9.430836 48.38887 6.342149 -25.19053      11.36501 
1 1 1 -23 30 5  o 34.36232 6.641026 68.60831       21.52862 74.47295       33.74516 64.58295       27.95722 32.68197 9.785617 31.41585 8.762309 1.266123       13.13531 
1 1 1 -23 30 6  o 29.74667 7.342991 53.65968       21.24964 38.72903       33.50008 63.71159       27.48721 24.57252 9.607952 31.27628 8.675271 -6.703756      12.94500 
1 1 1 -23 30 7  o 35.15850 6.627857 71.78969       21.97285 13.67543       33.61355 115.1515       29.03533 20.32494 8.890821 44.43287 6.899707 -24.10793      11.25401 
1 1 1 -23 30 8  o 20.33429 7.794286 22.60838       21.72108 38.01010       33.16532 11.03978       28.74351 24.35009 9.548360 19.08981 8.287796 5.260283       12.64353 
1 1 1 -23 30 9  o 42.82722 6.718335 106.6430       27.23782 50.12729       34.92396 194.4000       43.51909 26.66765 9.958877 56.02528 8.176688 -29.35763      12.88555 
1 1 1 -23 30 10 o 28.70590 8.400023 53.65087       25.09860 26.01512       32.45641 94.76000       39.58531 21.98566 9.141265 35.73014 10.57441 -13.74447      13.97787 
1 1 1 -23 30 11 o 15.78592 6.960564 2.398880       20.97957 29.44845       31.38040 -19.46292      28.21118 22.46700 9.125547 14.96905 7.109150 7.497953       11.56787 
1 1 1 -23 30 12 o 17.03377 7.530186 4.320896       24.70514 -31.21526      30.15945 76.80000       43.07196 14.40871 6.973428 30.82667 11.13428 -16.41796      13.13777 
1 1 1 -23 30 13 o 27.76416 9.147511 53.49464       28.81321 39.49000       37.37185 74.02000       45.24326 24.29712 9.924957 29.81840 11.29207 -5.521276      15.03381 
1 1 1 -23 30 14 o 11.44513 5.659656 -41.93597      23.35182 -65.51489      27.78942 14.72000       43.07649 11.39640 5.718544 21.26516 9.628571 -9.868756      11.19871 
1 1 1 -23 30 15 o 28.03809 8.566333 52.69576       25.67678 29.40892       30.57634 108.4000       47.29054 22.19817 9.010998 35.83620 11.71433 -13.63803      14.77916 
1 1 1 -23 30 16 o 16.58484 7.428354 1.928749       24.85925 -17.57186      30.43714 41.00000       43.08324 15.60909 7.404756 24.44623 10.36946 -8.837143      12.74191 
1 1 1 -23 30 17 o 16.14009 7.431444 -5.018248      27.09393 -63.81000      57.25015 11.94969       30.75622 17.68755 8.767035 19.19429 8.446964 -1.506741      12.17424 
1 1 1 -23 30 18 o 15.19093 7.135859 -12.82610      27.01616 -79.37000      56.84725 6.587838       30.70522 16.94941 8.455877 18.42148 8.252995 -1.472075      11.81583 
1 1 1 -23 30 19 o 13.06821 6.370594 -33.29770      26.41451 -11.69000      55.97544 -39.48785      29.96015 20.37833 9.769820 13.61325 6.667902 6.765079       11.82837 
1 1 1 -23 30 20 o 26.49890 8.951328 48.70969       27.56083 18.38000       56.99157 57.96787       31.48759 22.66541 10.55412 28.22020 9.567574 -5.554783      14.24528 
1 1 1 -23 30 21 o 30.66973 7.507899 59.28144       22.35418 68.66576       30.92820 49.01659       32.34666 30.89464 9.394178 25.90338 9.601478 4.991259       13.43276 
1 1 1 -23 30 22 o 15.83934 6.954003 4.216990       20.73191 14.96465       28.35106 -8.135510      30.39414 19.19679 8.282549 16.47223 7.682680 2.724562       11.29709 
1 1 1 -23 30 23 f 21.30326 7.786936 28.10816       21.15318 6.748484       28.67832 53.59570       31.32711 17.96983 8.018538 26.98000 9.523142 -9.010172      12.44938 
1 1 1 -23 30 24 o 22.09589 7.926626 31.12861       21.78629 6.036026       29.93884 59.37206       31.76296 18.07087 8.118382 28.22554 9.608783 -10.15467      12.57922 
1 1 1 -23 30 25 o 23.28523 8.946395 36.63436       28.66297 6.059000       36.32250 87.10000       46.66463 19.10276 8.724046 31.07598 11.52981 -11.97322      14.45840 
1 1 1 -23 30 26 o 17.60519 7.638013 9.882746       24.37873 -4.655484      29.54319 40.91000       43.15919 16.61795 7.690010 23.99867 10.28478 -7.380728      12.84184 
1 1 1 -23 30 27 o 22.72013 8.220302 33.95567       23.48978 -12.07000      35.96869 68.18256       31.01761 17.12318 8.101321 30.46807 9.434571 -13.34489      12.43554 
1 1 1 -23 30 28 o 21.00401 7.982649 27.55363       22.65887 -25.80000      35.51253 64.18932       29.42739 15.80448 7.628890 29.70133 9.188259 -13.89685      11.94253 
1 1 1 -23 30 29 o 32.65724 6.989459 65.77221       21.66767 95.72803       31.16139 37.73101       30.14911 37.55436 8.654848 23.26603 9.109579 14.28833       12.56546 
1 1 1 -23 30 30 o 17.18324 7.170453 12.62771       20.07550 7.617456       28.25036 17.73904       28.53386 17.79013 7.947043 19.39679 8.338388 -1.606657      11.51886 
1 1 1 -23 30 31 o 17.95755 7.266651 16.62056       19.81251 41.12138       28.92560 -5.032808      27.19285 23.77962 9.023494 15.81254 7.338253 7.967083       11.63071 
1 1 1 -23 30 32 o 13.20833 6.137228 -7.558084      19.11004 -28.07598      27.65995 11.18008       26.43313 13.56099 6.590014 17.81144 7.834894 -4.250452      10.23786 
1 1 1 -23 30 33 o 17.11947 7.103936 13.94982       19.54657 7.977726       27.86951 19.73165       27.42196 17.43347 7.832346 19.20979 8.214441 -1.776323      11.35001 
1 1 1 -23 30 34 o 15.34269 6.745838 5.533472       19.57466 -31.66979      27.37441 44.46146       28.00175 13.07266 6.396928 24.07809 8.931804 -11.00542      10.98625 
1 1 1 -23 31 1  o 27.29611 7.810910 47.22427       21.92589 0.2622000      58.12319 55.01591       23.67503 21.76816 10.29878 29.33269 8.018114 -7.564535      13.05201 
1 1 1 -23 31 2  o 44.81187 5.381658 110.7595       23.13385 51.77000       60.86005 120.7222       25.01122 26.30178 11.71232 46.59551 5.595659 -20.29373      12.98037 
1 1 1 -23 31 3  o 30.20013 7.263573 55.76244       21.20793 13.28000       58.32281 62.23569       22.76644 22.74749 10.62034 31.79934 7.446134 -9.051844      12.97060 
1 1 1 -23 31 4  o 36.01749 6.513415 75.64038       22.11795 72.00000       60.32265 76.20581       23.77368 28.42409 12.16969 35.66138 7.060619 -7.237291      14.06960 
1 1 1 -23 31 5  o 17.72517 7.218787 13.70977       19.69883 14.49075       29.73396 13.09886       26.29809 19.60343 8.470165 18.81201 8.044346 0.7914200      11.68140 
1 1 1 -23 31 6  o 22.56175 7.766964 31.62896       20.76688 -0.9196925     32.10961 55.03326       27.22804 17.87379 8.177824 28.47046 8.843346 -10.59667      12.04498 
1 1 1 -23 31 7  o 32.71700 8.045531 68.46227       25.58283 76.78772       34.50602 58.30000       38.12294 32.40780 9.936087 27.64943 10.38855 4.758373       14.37525 
1 1 1 -23 31 8  o 22.23600 8.473742 30.66177       25.57566 -28.72118      32.58129 126.0000       41.28297 15.17307 7.319927 41.86333 10.17537 -26.69026      12.53473 
1 1 1 -23 31 9  o 48.39006 5.312641 129.2961       24.75028 92.98647       36.09527 161.5178       34.00275 35.83118 9.942281 52.35159 6.795786 -16.52041      12.04291 
1 1 1 -23 31 10 o 27.35546 7.925313 48.29442       22.44168 40.56407       33.17237 54.81818       30.47373 24.35736 9.549921 27.71713 9.412115 -3.359774      13.40854 
1 1 1 -23 31 11 o 38.05669 6.984316 86.82753       25.05876 53.50000       40.19881 108.0094       32.04745 26.47723 10.47229 41.08954 8.254941 -14.61231      13.33465 
1 1 1 -23 31 12 o 24.09953 8.358136 38.24356       24.06598 21.30000       36.63787 51.10220       31.91724 21.26897 9.293449 26.55709 9.585673 -5.288118      13.35115 
1 1 1 -23 31 13 o 20.28478 8.209916 22.46541       25.29531 4.676532       29.82254 68.08000       47.75538 17.98203 8.088515 28.12147 11.31641 -10.13944      13.90990 
1 1 1 -23 31 14 o 14.58843 6.849736 -12.61146      24.84423 -43.33015      29.62082 60.27000       45.62516 13.21834 6.505578 27.02229 10.99325 -13.80395      12.77396 
1 1 1 -23 31 15 o 20.00175 8.265705 20.61567       26.31186 8.860990       31.99592 45.17000       46.24377 18.91184 8.452146 24.86893 10.65160 -5.957087      13.59763 
1 1 1 -23 31 16 o 17.90442 7.818115 9.187698       25.89128 1.803630       31.67317 24.06000       44.95032 17.96357 8.181765 22.27875 9.982978 -4.315180      12.90740 
1 1 1 -23 31 17 o 26.92394 8.128587 47.78708       23.21366 15.27274       32.91053 79.98151       32.74822 19.94578 8.759077 33.40646 9.541553 -13.46068      12.95232 
1 1 1 -23 31 18 o 16.63815 7.217753 7.232975       21.76541 -3.730059      30.94485 17.96676       30.61960 17.08389 7.893162 19.97766 8.613417 -2.893764      11.68302 
1 1 1 -23 31 19 o 21.64153 8.607146 28.91954       27.29700 38.53000       54.59433 25.71610       31.51980 24.02979 10.86397 21.29190 8.941619 2.737890       14.07048 
1 1 1 -23 31 20 o 31.64040 8.772535 68.79080       28.11360 58.60000       56.19610 72.19276       32.46878 26.14297 11.46419 31.28114 9.646987 -5.138166      14.98306 
1 1 1 -23 31 21 o 16.12712 7.392482 -2.820106      26.40281 -10.79000      53.92785 -0.3073894     30.28019 19.91191 9.557573 17.28973 7.922160 2.622185       12.41402 
1 1 1 -23 31 22 o 20.89674 7.856016 26.78940       21.80815 10.23846       30.00241 45.33038       31.75493 18.63116 8.264173 24.96933 9.459213 -6.338171      12.56078 
1 1 1 -23 31 23 o 22.46043 8.469565 33.06646       25.39015 49.78909       30.10258 -8.158000      47.26382 26.09719 9.322660 19.25117 9.159651 6.846024       13.06948 
1 1 1 -23 31 24 o 15.44228 7.076058 -3.580147      24.16221 -9.202298      28.75346 9.930000       44.57270 15.88879 7.430862 20.46154 9.460558 -4.572748      12.02996 
1 1 1 -23 31 25 o 11.78440 5.715981 -24.96162      20.55369 -19.98410      28.17160 -30.62667      30.05428 14.59985 6.981056 14.16434 6.880011 0.4355125      9.801515 
1 1 1 -23 31 26 o 21.91122 8.150514 31.31853       23.34743 36.44000       36.00441 27.60224       30.66992 22.96592 9.594513 21.30647 8.874705 1.659447       13.06962 
1 1 1 -23 31 27 o 17.18156 7.371335 10.58180       22.21557 7.527000       33.30222 13.03123       29.82046 18.60851 8.441722 18.84239 8.303810 -0.2338772     11.84128 
1 1 1 -23 31 28 o 19.42783 7.850467 21.07848       23.08711 36.93089       28.40993 -9.747000      39.61664 23.04124 8.892635 17.80364 8.446424 5.237600       12.26463 
1 1 1 -23 31 29 o 19.60635 7.537270 23.16409       20.35290 5.724645       27.93271 42.90236       29.71675 17.33568 7.810282 24.07390 9.143522 -6.738222      12.02516 
1 1 1 -23 31 30 o 13.32094 6.175920 -6.917714      19.18944 -23.47333      26.17727 12.31278       28.21285 13.55039 6.543061 18.24184 8.056410 -4.691450      10.37870 
1 1 1 -23 31 31 f 24.28719 7.567220 39.77258       19.91999 42.12687       27.91823 37.33101       28.43102 23.71551 8.894372 22.61878 8.849132 1.096727       12.54659 
1 1 1 -23 31 32 o 14.47709 6.499016 1.397871       19.14664 18.89487       27.04472 -16.18407      27.11028 18.87136 8.115272 14.32133 6.847992 4.550027       10.61850 
1 1 1 -23 31 33 o 16.45447 7.251550 8.567814       22.74228 5.027674       26.75762 17.78000       43.16370 16.63653 7.554941 19.94951 9.253732 -3.312977      11.94607 
1 1 1 -23 32 1  o 38.88688 6.145972 87.16399       22.61730 4.532000       59.27476 101.2447       24.46856 21.80771 10.34184 41.95387 6.140172 -20.14616      12.02727 
1 1 1 -23 32 2  o 37.61040 6.243183 82.00025       22.17820 60.18000       60.13166 85.43590       23.86040 26.59501 11.75289 38.01457 6.654729 -11.41955      13.50614 
1 1 1 -23 32 3  o 21.98780 7.671386 30.10773       20.28909 7.016000       58.50096 33.26500       21.63170 21.89688 10.35146 22.85211 7.924228 -0.9552269     13.03634 
1 1 1 -23 32 4  o 18.77399 7.499331 17.97115       20.81193 0.9576000      58.93152 20.39539       22.24530 21.48491 10.22401 19.51886 7.767687 1.966055       12.84007 
1 1 1 -23 32 5  o 15.56377 6.892994 2.344573       20.79365 -12.74000      58.64633 4.513568       22.23840 20.53747 9.885871 16.31390 7.180900 4.223562       12.21867 
1 1 1 -23 32 6  o 25.57080 8.436290 43.96116       24.50404 14.52000       59.50816 49.97246       26.88954 22.44723 10.55892 26.86306 8.836212 -4.415833      13.76842 
1 1 1 -23 32 7  o 23.76365 8.333301 37.26848       23.95995 -30.44000      57.81621 51.30790       26.32708 19.36010 9.434980 27.30435 8.724994 -7.944252      12.85085 
1 1 1 -23 32 8  o 48.40359 5.164882 129.2129       24.09295 112.4000       60.30529 132.4061       26.28151 32.72510 12.86258 48.49347 5.642062 -15.76837      14.04559 
1 1 1 -23 32 9  o 30.39703 9.503290 67.24112       31.38858 0.000000       0.000000 67.24112       31.38858 ?        ?        30.39703 9.503290 ?              ?        
1 1 1 -23 32 10 o 13.39605 6.504295 -30.24012      26.79194 -52.36000      33.85041 6.854000       43.83541 13.73648 6.796612 20.28826 9.380986 -6.551785      11.58434 
1 1 1 -23 32 11 o 28.74656 7.824139 53.37422       22.59997 38.00166       32.53553 67.70727       31.41622 23.65406 9.400308 30.53288 9.501599 -6.878824      13.36586 
1 1 1 -23 32 12 o 20.59159 8.383849 23.56326       26.56166 7.802133       31.82738 59.73000       48.21274 18.72468 8.394597 26.77015 11.13684 -8.045465      13.94627 
1 1 1 -23 32 13 o 21.92379 8.654567 29.80398       27.40665 -14.51000      55.02738 44.42276       31.60560 19.96533 9.601645 24.98793 9.443571 -5.022600      13.46747 
1 1 1 -23 32 14 o 16.79398 7.300898 7.374137       22.36798 6.532202       31.82088 8.196488       31.44860 18.50064 8.335558 18.65902 8.356392 -0.1583843     11.80300 
1 1 1 -23 32 15 o 21.53353 8.505477 28.70145       26.48454 39.25269       32.85700 9.130000       44.74944 23.73999 9.442670 20.48049 9.472834 3.259497       13.37530 
1 1 1 -23 32 16 o 15.89936 7.285321 -3.110383      25.61029 16.72160       31.47683 -41.95000      44.04995 19.80634 8.634934 16.48112 8.075225 3.325222       11.82249 
1 1 1 -23 32 17 o 17.79325 7.774010 9.566071       25.63173 0.6959863E-02  30.83076 30.96000       46.12334 17.44584 7.993752 22.86395 10.18788 -5.418116      12.94963 
1 1 1 -23 32 18 o 18.87143 7.726404 18.00802       22.71331 71.12663       32.98029 -29.91669      31.32643 30.69901 9.760490 14.57575 7.066802 16.12326       12.05018 
1 1 1 -23 32 19 o 18.82369 8.121969 14.44355       27.26500 35.19000       54.86282 7.639160       31.41963 23.52904 10.73644 18.46197 8.303515 5.067070       13.57275 
1 1 1 -23 32 20 f 23.94997 8.829007 39.76184       27.28570 37.36000       54.88428 40.55036       31.44728 23.72271 10.79138 23.92340 9.321942 -0.2006969     14.26017 
1 1 1 -23 32 21 o 20.93727 8.543212 26.00506       27.65362 9.841000       54.32991 31.65707       32.12661 21.30414 10.04216 22.20280 9.150240 -0.8986683     13.58572 
1 1 1 -23 32 22 o 13.17430 6.361361 -24.84244      24.74126 -13.00997      29.47257 -53.08000      45.52961 15.61545 7.371530 16.04191 7.927263 -0.4264536     10.82501 
1 1 1 -23 32 23 o 14.68508 6.707727 -3.252167      21.48534 16.03786       29.60466 -24.71870      31.23019 19.27904 8.390058 14.89515 7.181030 4.383889       11.04356 
1 1 1 -23 32 24 o 30.77702 7.622523 61.35859       22.84219 48.62210       32.28796 74.12000       32.31952 25.28727 9.547584 31.28341 9.620704 -5.996145      13.55412 
1 1 1 -23 32 25 o 28.86669 8.227000 56.75978       24.37231 58.74000       38.18775 55.39883       31.65846 26.63976 10.30233 26.85709 9.564212 -0.2173309     14.05746 
1 1 1 -23 32 26 o 24.88294 7.790145 41.34382       21.08433 46.46996       29.35177 35.87873       30.30665 25.03464 9.169187 22.70614 9.056492 2.328503       12.88775 
1 1 1 -23 32 27 f 15.80099 6.928809 5.829917       20.52605 2.140040       28.57470 9.763712       29.50405 16.93934 7.736730 18.11893 8.105728 -1.179581      11.20535 
1 1 1 -23 32 28 o 27.60016 7.603685 50.70624       21.19620 1.097131       29.49725 103.6717       30.47874 16.90260 7.772146 39.25687 8.196882 -22.35427      11.29580 
1 1 1 -23 32 29 o 19.59848 7.735416 23.78313       21.89127 -4.905000      33.21259 45.82079       29.10947 16.79780 7.897367 24.38032 9.094629 -7.582516      12.04494 
1 1 1 -23 32 30 o 15.43364 6.950082 2.833797       22.08905 1.076752       27.09993 6.312000       38.12889 16.23449 7.459325 18.47340 8.612317 -2.238903      11.39357 
1 1 1 -23 32 31 o 11.43507 5.536972 -21.05962      19.07311 -21.10168      26.77886 -21.01632      27.17233 13.75582 6.636202 13.86345 6.687290 -0.1076241     9.421201 
1 1 1 -23 33 1  o 30.97730 7.442497 60.22793       22.28425 63.59000       57.59421 59.63599       24.16648 26.76997 11.67540 30.21971 8.032791 -3.449741      14.17183 
1 1 1 -23 33 2  o 33.45771 7.072858 68.40005       22.43752 -32.40000      60.19354 84.66606       24.18021 19.49840 9.529440 37.58153 6.824520 -18.08314      11.72111 
1 1 1 -23 33 3  o 26.93729 7.755740 46.90731       21.55382 -36.39000      58.09081 60.20544       23.21064 19.03073 9.313736 30.68026 7.732779 -11.64953      12.10543 
1 1 1 -23 33 4  o 35.66963 7.779206 80.66956       26.39387 28.46000       59.74959 93.32751       29.41993 23.44411 10.87910 38.02498 8.149376 -14.58087      13.59291 
1 1 1 -23 33 5  o 28.25285 8.428727 53.88171       25.07055 42.38000       57.37550 56.59597       27.87217 24.57978 11.12254 28.39083 8.966245 -3.811049      14.28651 
1 1 1 -23 33 6  o 24.70037 7.970427 39.96605       21.93232 21.70000       57.26731 43.10573       23.74255 22.75022 10.58890 25.36880 8.300770 -2.618580      13.45465 
1 1 1 -23 33 7  o 18.70898 8.043214 13.70960       26.55260 -63.55000      58.77053 33.52496       29.76353 17.79704 8.831943 22.70762 9.001637 -4.910576      12.61082 
1 1 1 -23 33 8  o 61.79531 4.889771 208.0099       29.33582 0.000000       0.000000 208.0099       29.33582 ?        ?        61.79531 4.889771 ?              ?        
1 1 1 -23 33 9  o 19.72406 7.961659 21.23556       23.71757 0.000000       0.000000 21.23556       23.71757 ?        ?        19.72406 7.961659 ?              ?        
1 1 1 -23 33 10 o 19.00621 8.633796 7.337431       34.97952 -24.36000      57.45103 26.01000       44.09484 19.45539 9.464237 22.13332 9.904919 -2.677931      13.69961 
1 1 1 -23 33 11 o 22.98424 8.066542 34.69830       22.45356 104.0000       58.71822 22.82899       24.30042 31.29021 12.56330 20.07855 8.075022 11.21166       14.93461 
1 1 1 -23 33 12 o 30.07780 7.773787 58.61208       23.05154 -2.455000      58.03509 70.05124       25.11794 20.83304 9.977192 32.86858 7.904504 -12.03555      12.72893 
1 1 1 -23 33 13 o 18.90565 7.654793 18.54795       22.00019 12.73000       57.95006 19.52768       23.78054 21.88200 10.33181 19.33057 7.909125 2.551428       13.01156 
1 1 1 -23 33 14 o 39.19061 6.544254 91.35532       24.21969 16.30000       57.67735 107.4231       26.68652 22.05442 10.38070 42.43229 6.643019 -20.37787      12.32431 
1 1 1 -23 33 15 o 17.73906 7.907395 7.163705       27.81389 54.85000       54.68860 -9.474491      32.30376 25.41450 11.22078 16.60669 7.801561 8.807816       13.66640 
1 1 1 -23 33 16 o 12.83484 6.217473 -26.43837      24.11670 -16.85785      28.51656 -50.50000      45.19237 14.99323 7.128340 16.11988 7.953092 -1.126655      10.68012 
1 1 1 -23 33 17 o 16.06475 7.283145 0.1208664      24.74088 17.23010       29.43505 -41.06000      45.66645 19.51931 8.430632 16.72339 8.199736 2.795921       11.76058 
1 1 1 -23 33 18 o 21.77532 8.475352 30.55735       25.97152 -0.6534461     31.09897 102.5000       47.21574 17.30628 7.965996 33.37338 11.69854 -16.06710      14.15319 
1 1 1 -23 33 19 f 13.62607 6.408834 -12.22203      21.91200 2.237755       30.30470 -28.06421      31.72024 17.49797 7.982543 14.76411 7.146911 2.733865       10.71445 
1 1 1 -23 33 20 f 18.15446 8.402598 0.9521890      35.29643 -56.34000      53.35402 45.54000       47.06819 17.06116 8.457765 24.22031 10.55920 -7.159157      13.52888 
1 1 1 -23 33 21 o 19.84458 8.899440 15.49314       35.80112 40.40000       54.34488 -3.604000      47.58644 23.58552 10.73258 19.35260 9.203056 4.232927       14.13805 
1 1 1 -23 33 22 o 19.98087 8.347425 22.25210       27.25294 52.00000       53.58810 11.87406       31.65176 24.69886 10.99494 18.84118 8.414536 5.857685       13.84533 
1 1 1 -23 33 23 o 16.52275 7.323235 5.662990       23.51393 -34.03000      36.17570 34.70125       30.94179 15.23776 7.434183 22.47849 9.086475 -7.240730      11.74015 
1 1 1 -23 33 24 o 17.15594 7.281763 12.01500       21.26867 19.06343       29.36058 4.232475       30.85167 19.52813 8.427132 17.63478 8.048518 1.893351       11.65312 
1 1 1 -23 33 25 o 21.42733 7.859618 30.40312       21.57876 33.02707       29.98770 27.58540       31.07531 21.89965 8.911234 20.95382 8.843428 0.9458332      12.55453 
1 1 1 -23 33 26 o 16.99365 7.189288 12.42748       20.61826 -0.9701961     28.04958 28.17547       30.41055 16.32100 7.531483 20.90261 8.780798 -4.581610      11.56830 
1 1 1 -23 33 27 o 15.87088 6.940419 7.205161       20.47017 4.290174       28.43084 10.34286       29.49696 16.95985 7.735039 17.93297 8.057190 -0.9731216     11.16912 
1 1 1 -23 33 28 o 14.33155 6.512738 -0.5959566     19.92714 9.019696       27.78784 -10.77606      28.59181 17.37905 7.813305 15.16326 7.188446 2.215790       10.61704 
1 1 1 -23 33 29 o 16.53986 7.049738 11.60496       20.07992 33.94342       28.26828 -11.14601      28.52810 21.59441 8.700697 15.08985 7.161439 6.504567       11.26891 
1 1 1 -23 34 1  o 23.13240 8.061706 35.32419       22.40276 63.70000       55.69827 29.84761       24.46933 26.42395 11.50369 21.65117 8.279263 4.772779       14.17325 
1 1 1 -23 34 2  f 31.54085 8.355125 66.96935       26.20186 7.673000       57.20493 82.71230       29.47560 21.39279 10.14932 34.84241 8.676044 -13.44962      13.35225 
1 1 1 -23 34 3  o 41.89940 6.807665 105.6620       26.96231 69.00000       59.10131 115.2976       30.29900 26.84256 11.76428 43.01212 7.467390 -16.16956      13.93413 
1 1 1 -23 34 4  o 38.20531 6.735312 87.75125       24.26758 73.70000       58.89869 90.62438       26.63332 27.37372 11.87412 38.11009 7.406581 -10.73638      13.99472 
1 1 1 -23 34 5  o 19.02382 7.668788 19.22272       21.97256 -84.30000      57.94463 36.60840       23.74604 16.67986 8.353632 23.38229 8.287643 -6.702431      11.76725 
1 1 1 -23 34 6  o 47.36415 5.908478 128.8136       26.79843 0.000000       0.000000 128.8136       26.79843 ?        ?        47.36415 5.908478 ?              ?        
1 1 1 -23 34 7  o 22.74293 8.315216 34.31319       24.12291 0.000000       0.000000 34.31319       24.12291 ?        ?        22.74293 8.315216 ?              ?        
1 1 1 -23 34 8  o 18.35205 8.452293 2.263042       35.08388 -113.0000      57.29973 71.39000       44.37428 15.54508 7.852278 28.36446 11.06739 -12.81938      13.57001 
1 1 1 -23 34 9  o 29.45965 7.924269 57.27119       23.34589 27.26000       59.41642 62.75042       25.38775 22.88423 10.69575 30.48374 8.290899 -7.599508      13.53285 
1 1 1 -23 34 10 o 20.52177 7.909225 25.65810       22.45133 48.60000       58.05553 21.62370       24.34550 24.65151 11.16831 19.73663 8.029937 4.914886       13.75540 
1 1 1 -23 34 11 o 19.91406 7.816047 23.20016       22.24029 11.61000       57.05832 25.27651       24.15042 21.54678 10.19700 20.51349 8.115921 1.033285       13.03254 
1 1 1 -23 34 12 o 16.63703 7.239525 7.662076       22.03714 -4.770000      55.24883 10.01421       24.03159 20.25249 9.708619 17.45688 7.578489 2.795609       12.31628 
1 1 1 -23 34 13 o 20.72888 7.937583 26.55804       22.51199 13.51000       55.72765 29.10255       24.60933 21.56578 10.16703 21.39016 8.270830 0.1756172      13.10630 
1 1 1 -23 34 14 o 17.81586 7.529124 13.45926       22.57401 32.88000       54.75225 9.481908       24.77799 23.08251 10.60467 17.48337 7.640930 5.599140       13.07068 
1 1 1 -23 34 15 o 19.46003 7.825585 21.15417       22.82019 71.44000       54.40697 10.41900       25.13831 27.14419 11.58798 17.70175 7.717062 9.442438       13.92244 
1 1 1 -23 34 16 o 24.95794 8.261905 42.70062       23.49526 3.326000       54.45297 51.70807       26.04439 20.64834 9.826464 27.02266 8.682395 -6.374315      13.11272 
1 1 1 -23 34 17 o 31.06833 8.790396 68.37109       27.92625 81.18000       56.28183 64.18753       32.16509 27.90899 11.84562 28.76556 9.670045 -0.8565636     15.29145 
1 1 1 -23 34 18 o 15.71761 7.255343 -3.830509      26.06021 -2.343000      53.89954 -4.284331      29.77131 20.03835 9.601547 16.47875 7.657978 3.559605       12.28146 
1 1 1 -23 34 19 o 15.95368 7.524521 -10.63560      30.58430 -26.04000      53.15298 -3.011000      37.39502 18.45867 9.006851 17.95691 8.422544 0.5017529      12.33137 
1 1 1 -23 34 20 o 16.86857 7.309820 9.327132       22.27522 53.80000       54.22788 0.2999329      24.43158 24.78021 11.04392 15.88107 7.214715 8.899147       13.19168 
1 1 1 -23 34 21 o 19.40265 7.719835 21.96548       21.96761 9.633000       56.35287 24.17536       23.85476 20.95590 9.979486 20.02722 8.019091 0.9286823      12.80219 
1 1 1 -23 34 22 o 30.89944 9.755272 75.59852       32.99601 0.000000       0.000000 75.59852       32.99601 ?        ?        30.89944 9.755272 ?              ?        
1 1 1 -23 34 23 o 25.56247 8.993902 49.54586       27.92516 -23.77000      55.29136 74.65117       32.35497 18.54251 9.077268 30.73241 9.654321 -12.18990      13.25152 
1 1 1 -23 34 24 o 10.54130 5.228033 -37.36711      20.47377 6.789000       51.20596 -45.76937      22.33692 19.92103 9.494005 10.58826 5.285189 9.332774       10.86597 
1 1 1 -23 34 25 o 15.17461 6.817376 2.613901       21.11334 -10.16000      52.70240 5.055933       23.04329 18.76863 9.115113 15.99249 7.158294 2.776136       11.58993 
1 1 1 -23 34 26 o 16.83970 7.173838 12.69958       20.77425 15.49000       51.36349 12.15384       22.71508 20.18064 9.586646 17.03529 7.381855 3.145350       12.09940 
1 1 1 -23 34 27 o 16.73580 7.142691 12.29997       20.66128 -37.10000      50.93444 22.02960       22.60457 16.92452 8.367297 18.98024 7.731784 -2.055717      11.39264 
1 1 1 -23 35 1  o 25.32306 9.529346 48.35072       32.10490 19.91000       56.25261 62.09000       39.09798 22.05544 10.34021 27.26212 10.45527 -5.206680      14.70485 
1 1 1 -23 35 2  o 39.52391 9.039860 108.6524       34.21103 86.21000       59.38543 119.8000       41.85399 28.45548 12.12590 38.86516 10.67590 -10.40967      16.15587 
1 1 1 -23 35 3  o 25.09223 8.108964 42.63615       22.69601 24.33000       56.55394 46.15044       24.77893 22.41672 10.46331 25.74406 8.483027 -3.327343      13.47007 
1 1 1 -23 35 4  o 17.32820 7.554581 9.375089       24.09342 0.000000       0.000000 9.375089       24.09342 ?        ?        17.32820 7.554581 ?              ?        
1 1 1 -23 35 5  o 14.90300 6.897443 -6.249033      23.78045 0.000000       0.000000 -6.249033      23.78045 ?        ?        14.90300 6.897443 ?              ?        
1 1 1 -23 35 6  o 18.05062 8.362522 0.2899422      35.08519 -29.12000      55.86993 19.44000       45.08334 18.77591 9.177301 21.22301 9.702602 -2.447102      13.35527 
1 1 1 -23 35 7  o 21.86418 8.055243 31.21082       22.70693 36.59000       57.91155 30.23358       24.68349 23.42560 10.81419 21.60217 8.301536 1.823427       13.63313 
1 1 1 -23 35 8  o 19.28412 7.778480 20.59086       22.62081 9.560000       57.15133 22.64000       24.63243 21.28394 10.11122 19.90586 8.085139 1.378082       12.94628 
1 1 1 -23 35 9  o 19.62825 7.826421 22.12669       22.62612 106.1000       56.73820 6.247503       24.67283 31.36011 12.42946 16.90143 7.495750 14.45868       14.51474 
1 1 1 -23 35 10 o 12.05993 5.856664 -26.01860      21.74941 2.435000       55.42576 -31.19740      23.64601 20.63426 9.846006 12.22336 5.973659 8.410896       11.51644 
1 1 1 -23 35 11 o 17.04632 7.326333 10.23729       22.01850 8.685000       53.93155 10.54778       24.12028 20.93374 9.908896 17.49516 7.593800 3.438585       12.48407 
1 1 1 -23 35 12 o 16.33379 7.210082 5.740613       22.56942 4.424000       53.34413 6.027681       24.90867 20.51614 9.752819 16.87448 7.504911 3.641666       12.30614 
1 1 1 -23 35 13 o 14.52164 6.695395 -5.096656      22.09939 -12.79000      51.58261 -3.367081      24.45769 19.07844 9.205560 15.37939 7.073718 3.699045       11.60947 
1 1 1 -23 35 14 o 18.35050 7.636708 16.73782       22.68099 -24.05000      53.13139 25.82692       25.08110 18.53708 9.036272 20.47194 8.213918 -1.934864      12.21158 
1 1 1 -23 35 15 o 19.36055 7.844003 21.34066       23.11809 25.50000       53.79424 20.39848       25.60291 22.02695 10.25580 19.39542 8.095914 2.631525       13.06619 
1 1 1 -23 35 16 o 13.27101 6.419929 -24.90750      25.48956 16.33000       52.95257 -37.34460      29.08041 21.22165 9.975519 13.26509 6.512074 7.956560       11.91294 
1 1 1 -23 35 17 o 22.48693 8.708167 35.13071       27.31159 -4.377000      54.91479 48.11460       31.48118 19.89934 9.575516 25.01528 9.431367 -5.115932      13.44028 
1 1 1 -23 35 18 o 16.48178 7.706019 -5.291684      30.88633 41.47000       53.22749 -29.03000      37.92415 23.27695 10.60360 15.81246 7.691500 7.464487       13.09945 
1 1 1 -23 35 19 o 17.66156 7.757102 11.27964       25.82028 -3.958000      52.43396 16.15747       29.66656 19.45494 9.360405 18.93810 8.316386 0.5168419      12.52116 
1 1 1 -23 35 20 o 17.96323 8.037158 10.42953       29.01747 0.000000       0.000000 10.42953       29.01747 ?        ?        17.96323 8.037158 ?              ?        
1 1 1 -23 35 21 o 15.70511 7.030285 3.989612       22.23182 -41.28000      53.84994 13.29083       24.40911 17.33035 8.574375 17.66389 7.653211 -0.3335419     11.49311 
1 1 1 -23 35 22 o 16.91091 7.330539 11.22763       22.41640 7.229000       52.48633 12.11973       24.79116 19.85225 9.502322 17.43771 7.631453 2.414547       12.18742 
1 1 1 -23 35 23 o 13.77223 6.620091 -18.50077      26.08591 -29.16000      51.37482 -14.79801      30.27962 17.40637 8.566948 15.08914 7.221093 2.317235       11.20432 
1 1 1 -23 35 24 o 19.04667 8.126810 21.31336       26.73441 -42.66000      52.02113 44.27308       31.16474 16.72691 8.302333 23.28633 9.217430 -6.559412      12.40523 
1 1 1 -23 35 25 o 20.63714 8.225850 30.19479       24.98600 63.24000       51.92687 20.23865       28.50254 24.11293 10.77271 18.89645 8.227863 5.216478       13.55541 
1 1 1 -23 36 1  o 19.12501 7.796247 20.09860       23.00253 -120.2000      55.27176 49.48840       25.29734 14.85029 7.525121 26.39914 8.563483 -11.54885      11.40003 
1 1 1 -23 36 2  o 20.63846 9.071936 22.43013       35.38069 -5.574000      55.48475 41.62000       45.93024 19.95721 9.608885 23.50654 10.33436 -3.549328      14.11133 
1 1 1 -23 36 3  o 51.33210 11.06525 209.7000       53.95830 0.000000       0.000000 209.7000       53.95830 ?        ?        51.33210 11.06525 ?              ?        
1 1 1 -23 36 4  o 26.50028 9.597141 54.96726       32.02730 0.000000       0.000000 54.96726       32.02730 ?        ?        26.50028 9.597141 ?              ?        
1 1 1 -23 36 5  o 19.78250 7.837558 23.37244       22.55115 7.552000       54.61402 26.62431       24.76059 20.70611 9.850272 20.62451 8.199190 0.8160210E-01  12.81618 
1 1 1 -23 36 6  o 19.04221 7.768648 20.01667       22.86187 -3.238000      55.16592 24.83867       25.12057 19.99381 9.614928 20.24087 8.185343 -0.2470570     12.62722 
1 1 1 -23 36 7  o 22.38212 8.106047 33.91647       22.84862 56.44000       56.20412 29.45711       25.00841 24.83865 11.14393 21.22897 8.301164 3.609686       13.89592 
1 1 1 -23 36 8  f 20.42610 7.981214 26.18001       23.10349 59.37000       55.71097 19.28652       25.38965 25.12878 11.19694 19.13057 8.028992 5.998213       13.77810 
1 1 1 -23 36 9  o 33.03786 7.676688 71.36230       24.35068 31.42000       56.91164 80.31325       26.94133 22.55469 10.51730 34.60883 8.097515 -12.05414      13.27341 
1 1 1 -23 36 10 o 17.50129 7.523554 12.21662       23.22971 -32.20000      53.96466 22.31879       25.73619 18.10774 8.885684 19.72872 8.165887 -1.620983      12.06802 
1 1 1 -23 36 11 o 19.71233 7.881457 23.19455       23.00847 31.66000       53.72296 21.29299       25.46181 22.44362 10.38028 19.50110 8.101411 2.942516       13.16750 
1 1 1 -23 36 12 o 16.76600 7.333667 8.470898       22.86796 51.83000       53.57990 -1.186555      25.28675 24.36909 10.91096 15.81047 7.242558 8.558627       13.09594 
1 1 1 -23 36 13 o 18.77558 7.758152 18.84624       23.17632 -36.11000      52.66711 32.04406       25.80964 17.71729 8.710917 21.75897 8.454537 -4.041677      12.13916 
1 1 1 -23 36 14 o 20.79449 8.054091 28.14926       23.36579 82.08000       54.96818 16.25528       25.81409 27.48194 11.68707 18.52962 7.947751 8.952324       14.13344 
1 1 1 -23 36 15 o 15.92054 7.356067 -2.209246      26.88216 -45.19000      52.71031 12.89980       31.25194 17.11147 8.469157 18.62019 8.335265 -1.508717      11.88290 
1 1 1 -23 36 16 o 23.01860 8.813401 39.11202       27.75189 -12.49000      52.93571 58.66996       32.58945 18.84649 9.148829 26.71839 9.680321 -7.871906      13.31952 
1 1 1 -23 36 17 o 16.33281 7.253568 6.625066       23.18390 17.96000       51.20901 3.702845       26.00120 20.72666 9.763643 16.44327 7.459351 4.283388       12.28701 
1 1 1 -23 36 18 o 24.14241 8.744514 44.13849       26.59062 0.000000       0.000000 44.13849       26.59062 ?        ?        24.14241 8.744514 ?              ?        
1 1 1 -23 36 19 o 20.39170 8.715211 27.12647       30.83761 0.000000       0.000000 27.12647       30.83761 ?        ?        20.39170 8.715211 ?              ?        
1 1 1 -23 36 20 o 12.47469 6.115805 -31.09724      25.38090 -77.59000      52.19027 -16.69559      29.04711 15.33483 7.713937 14.61746 7.015793 0.7173719      10.42719 
1 1 1 -23 36 21 o 14.53851 6.756970 -4.190869      23.18662 -26.66000      51.72808 1.458732       25.93834 17.41131 8.574617 15.86606 7.292850 1.545256       11.25654 
1 1 1 -23 36 22 o 14.04011 6.656797 -11.15967      24.53328 31.13000       51.51191 -23.56631      27.90086 21.16635 9.914239 13.69223 6.645648 7.474121       11.93553 
1 1 1 -23 37 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 37 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -23 37 3  o 48.05128 5.624364 132.7586       25.95365 146.7000       60.86953 129.6609       28.69254 35.41134 13.16259 46.39611 6.495772 -10.98477      14.67817 
1 1 1 -23 37 4  f 27.42992 9.047699 56.51762       28.18505 33.19000       55.12353 64.77505       32.79628 22.52919 10.45279 28.37304 9.760899 -5.843855      14.30161 
1 1 1 -23 37 5  o 22.59914 8.677076 36.16184       26.95101 31.89000       53.55334 37.61069       31.18832 22.35117 10.34676 22.74557 9.147960 -0.3944073     13.81089 
1 1 1 -23 37 6  o 17.87064 7.552229 14.87358       22.71257 -25.10000      51.71912 24.42464       25.28078 18.13821 8.857883 20.04772 8.172904 -1.909517      12.05232 
1 1 1 -23 37 7  o 19.80412 7.893340 24.02147       23.00546 8.854000       54.12790 27.36541       25.41524 20.49317 9.765121 20.63167 8.271728 -0.1385002     12.79762 
1 1 1 -23 37 8  o 19.46194 7.888461 22.56838       23.39237 -36.76000      54.07973 36.22383       25.94516 17.70836 8.729815 22.55185 8.548659 -4.843493      12.21840 
1 1 1 -23 37 9  o 16.74458 7.356723 8.747104       23.24070 33.63000       53.18021 2.872989       25.83871 22.22985 10.29760 16.34636 7.423527 5.883495       12.69446 
1 1 1 -23 37 10 o 20.14339 8.021638 25.91353       23.73926 27.71000       54.06337 25.48442       26.42281 21.70321 10.16283 20.15568 8.301598 1.547523       13.12249 
1 1 1 -23 37 11 o 27.04279 8.282391 52.29230       23.98401 30.89000       54.57183 57.41592       26.70096 21.91664 10.24578 27.72991 8.778172 -5.813269      13.49193 
1 1 1 -23 37 12 o 19.60853 7.918393 23.83409       23.47156 21.11000       53.90939 24.47126       26.07249 21.06143 9.950627 19.86938 8.221119 1.192051       12.90743 
1 1 1 -23 37 13 o 13.98720 6.576322 -9.493654      23.03577 -3.803000      51.48033 -10.91834      25.75842 19.05326 9.194158 14.52777 6.868101 4.525492       11.47621 
1 1 1 -23 37 14 f 18.22041 7.944377 15.56794       26.64972 -45.78000      51.60939 37.87342       31.11964 16.68994 8.281471 22.30166 9.076727 -5.611725      12.28697 
1 1 1 -23 37 15 o 11.82371 5.801213 -30.61972      22.97652 -44.56000      52.45877 -27.31066      25.55847 16.77861 8.329567 12.84985 6.264668 3.928760       10.42246 
1 1 1 -23 37 16 o 15.49321 7.059991 1.804268       23.61932 -67.16000      54.32858 17.87684       26.22762 15.99617 8.022293 18.41904 7.956744 -2.422871      11.29898 
1 1 1 -23 37 17 o 26.02880 8.920739 54.01985       27.38609 0.000000       0.000000 54.01985       27.38609 ?        ?        26.02880 8.920739 ?              ?        
1 1 1 -23 37 18 o 19.61390 7.932496 25.52482       23.59491 65.27000       52.22387 15.33096       26.44820 24.27499 10.82710 17.91229 7.859549 6.362701       13.37903 
1 1 1 -23 37 19 o 17.05843 7.659566 9.979693       26.61211 -18.91000      51.37985 20.57138       31.11029 17.65251 8.663915 19.04255 8.432623 -1.390043      12.09018 
1 1 1 -23 38 1  o 23.28526 8.269171 39.24824       23.65029 -16.05000      55.03015 51.77579       26.19258 18.64519 9.112262 26.16969 8.725110 -7.524500      12.61590 
1 1 1 -23 38 2  f 17.22611 8.009647 1.403902       32.63730 0.000000       0.000000 1.403902       32.63730 ?        ?        17.22611 8.009647 ?              ?        
1 1 1 -23 38 3  o 21.06322 8.639557 30.79386       28.46497 38.74000       55.27962 27.92672       33.20560 22.34989 10.40289 20.68145 8.943500 1.668438       13.71883 
1 1 1 -23 38 4  o 27.96181 8.934569 59.99044       27.60734 84.91000       55.48322 51.79052       31.82702 26.88430 11.59295 25.03396 9.473072 1.850340       14.97116 
1 1 1 -23 38 5  o 24.11459 8.262254 42.39547       23.49186 23.54000       54.32540 46.73230       26.05378 21.06634 9.963725 24.79825 8.690268 -3.731915      13.22107 
1 1 1 -23 38 6  o 18.21339 7.978381 15.28931       27.15263 11.16000       52.56232 16.79232       31.71151 20.04198 9.570249 18.91658 8.437066 1.125391       12.75828 
1 1 1 -23 38 7  o 13.96859 6.559055 -8.681783      22.78571 -18.55000      51.56114 -6.286925      25.40054 18.04058 8.817551 14.90934 6.976491 3.131248       11.24369 
1 1 1 -23 38 8  o 23.38378 8.310369 40.31575       23.89056 70.21000       53.39981 32.83480       26.71310 25.17105 11.10162 21.35698 8.507831 3.814075       13.98675 
1 1 1 -23 38 9  o 12.89498 6.209548 -19.19298      23.19194 -87.40000      51.83251 -2.119629      25.93266 14.93255 7.533790 15.47940 7.177624 -0.5468464     10.40559 
1 1 1 -23 38 10 o 16.00673 7.179141 5.732780       23.30509 -13.08000      51.45109 10.58891       26.14047 18.19926 8.876146 17.22769 7.673504 0.9715633      11.73323 
1 1 1 -23 38 11 f 16.02638 7.211688 5.575849       23.73363 -0.2058000     53.04294 7.023107       26.53840 19.03725 9.221758 16.72537 7.566789 2.311882       11.92884 
1 1 1 -23 38 12 o 17.17597 7.743357 9.558749       27.50723 56.11000       53.53894 -7.136377      32.06261 23.25866 10.61040 15.99433 7.591110 7.264333       13.04628 
1 1 1 -23 38 13 o 17.44659 7.833215 11.57330       27.82607 -47.84000      53.34888 33.77758       32.61383 16.47585 8.215196 21.07626 8.983915 -4.600409      12.17375 
1 1 1 -23 38 14 o 24.79031 8.430725 47.06288       24.45115 13.53000       52.77814 56.22692       27.59066 19.75304 9.474438 26.41354 8.955973 -6.660500      13.03742 
1 1 1 -23 38 15 f 17.43663 8.037679 8.018610       31.82437 0.000000       0.000000 8.018610       31.82437 ?        ?        17.43663 8.037679 ?              ?        
1 1 1 -23 39 1  o 19.79373 7.951292 26.80256       23.53249 -22.17000      54.08782 38.23730       26.13582 17.71187 8.731339 22.22235 8.541650 -4.510487      12.21458 
1 1 1 -23 39 2  o 22.59123 8.247472 38.54015       23.71832 -30.43000      54.90931 54.36082       26.29831 17.38879 8.613114 26.21251 8.742780 -8.823713      12.27281 
1 1 1 -23 39 3  o 23.85545 8.312127 43.41195       23.81557 -13.14000      55.03892 56.43953       26.41666 18.24069 8.955536 26.72350 8.756448 -8.482807      12.52505 
1 1 1 -23 39 4  o 28.66248 9.195602 67.34719       29.22200 -36.82000      55.25810 107.7881       34.43029 17.11015 8.503413 36.75232 9.501556 -19.64216      12.75099 
1 1 1 -23 39 5  o 17.11839 8.312142 -12.92000      43.77278 0.000000       0.000000 -12.92000      43.77278 ?        ?        17.11839 8.312142 ?              ?        
1 1 1 -23 39 6  o 18.44430 7.744374 20.37766       23.63760 48.42000       52.17798 13.13659       26.51439 22.36849 10.30416 17.47380 7.758877 4.894686       12.89868 
1 1 1 -23 39 7  o 16.06638 7.647953 -7.236214      33.02949 -22.22000      51.32877 3.353000       43.15011 17.42333 8.572908 18.23867 8.698636 -0.8153381     12.21315 
1 1 1 -23 39 8  o 31.60470 9.098346 78.86272       29.66404 -8.679000      53.69986 117.3076       35.58647 18.38434 8.988342 38.55733 9.493422 -20.17300      13.07346 
1 1 1 -23 39 9  o 23.64954 8.985854 46.70464       28.70758 40.43000       53.88596 49.19125       33.92230 21.51385 10.09714 23.41602 9.496412 -1.902168      13.86124 
1 1 1 -23 39 10 o 26.88162 10.00243 69.09602       35.16758 30.79000       53.37642 98.48000       46.74889 20.63752 9.794721 28.94163 11.34004 -8.304113      14.98443 
1 1 1 -22 0  1  o 168.8004 5.250738 1404.669       86.56589 1404.669       86.56589 1404.669       86.56589 168.8004 5.250738 168.8004 5.250738 -0.000000      0.000000 
1 1 1 -22 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 0  3  o 144.1017 4.770310 1023.327       67.11833 1023.327       67.11833 1023.327       67.11833 144.1017 4.770310 144.1017 4.770310 0.000000       0.000000 
1 1 1 -22 0  4  o 247.9621 7.053447 3040.786       170.8824 3040.786       170.8824 3040.786       170.8824 247.9621 7.053447 247.9621 7.053447 -0.000000      0.000000 
1 1 1 -22 0  5  o 105.7989 4.224277 552.0446       43.58736 552.0446       43.58736 552.0446       43.58736 105.7989 4.224277 105.7989 4.224277 -0.000000      0.000000 
1 1 1 -22 0  6  o 132.9476 4.612619 871.2586       59.86129 871.2586       59.86129 871.2586       59.86129 132.9476 4.612619 132.9476 4.612619 0.000000       0.000000 
1 1 1 -22 0  7  f 63.40958 4.260364 200.0420       26.16464 200.0420       26.16464 200.0420       26.16464 63.40958 4.260364 63.40958 4.260364 -0.000000      0.000000 
1 1 1 -22 0  8  o 18.90925 8.845267 25.90068       18.29075 25.90068       18.29075 25.90068       18.29075 18.90925 8.845267 18.90925 8.845267 -0.000000      0.000000 
1 1 1 -22 0  9  o 65.52532 4.289926 213.5332       27.24038 213.5332       27.24038 213.5332       27.24038 65.52532 4.289926 65.52532 4.289926 -0.000000      0.000000 
1 1 1 -22 0  10 o 166.7709 5.256142 1372.563       85.60809 1372.563       85.60809 1372.563       85.60809 166.7709 5.256142 166.7709 5.256142 -0.000000      0.000000 
1 1 1 -22 0  11 o 62.25383 4.384596 193.2119       26.40782 193.2119       26.40782 193.2119       26.40782 62.25383 4.384596 62.25383 4.384596 -0.000000      0.000000 
1 1 1 -22 0  12 o 136.6377 4.700147 921.2746       62.69320 921.2746       62.69320 921.2746       62.69320 136.6377 4.700147 136.6377 4.700147 -0.000000      0.000000 
1 1 1 -22 0  13 o 42.03278 5.520369 91.37949       21.62610 91.37949       21.62610 91.37949       21.62610 42.03278 5.520369 42.03278 5.520369 -0.000000      0.000000 
1 1 1 -22 0  14 o 73.41032 4.252675 267.5315       30.32136 267.5315       30.32136 267.5315       30.32136 73.41032 4.252675 73.41032 4.252675 -0.000000      0.000000 
1 1 1 -22 0  15 o 55.47768 4.680138 154.6487       24.98277 154.6487       24.98277 154.6487       24.98277 55.47768 4.680138 55.47768 4.680138 -0.000000      0.000000 
1 1 1 -22 0  16 o 15.05448 8.254528 15.83741       17.45763 15.83741       17.45763 15.83741       17.45763 15.05448 8.254528 15.05448 8.254528 0.000000       0.000000 
1 1 1 -22 0  17 o 36.25856 6.237956 70.40016       20.17485 70.40016       20.17485 70.40016       20.17485 36.25856 6.237956 36.25856 6.237956 -0.000000      0.000000 
1 1 1 -22 0  18 o 9.905873 6.601381 -5.170544      17.34042 -5.170544      17.34042 -5.170544      17.34042 9.905873 6.601381 9.905873 6.601381 -0.000000      0.000000 
1 1 1 -22 0  19 o 7.812626 5.515926 -20.20393      16.97100 -20.20393      16.97100 -20.20393      16.97100 7.812626 5.515926 7.812626 5.515926 0.000000       0.000000 
1 1 1 -22 0  20 o 43.84516 5.471906 99.34708       22.49671 99.34708       22.49671 99.34708       22.49671 43.84516 5.471906 43.84516 5.471906 0.000000       0.000000 
1 1 1 -22 0  21 o 9.489543 6.439266 -9.057214      17.95000 -9.057214      17.95000 -9.057214      17.95000 9.489543 6.439266 9.489543 6.439266 -0.000000      0.000000 
1 1 1 -22 0  22 o 19.11558 9.294061 27.21649       20.39982 27.21649       20.39982 27.21649       20.39982 19.11558 9.294061 19.11558 9.294061 -0.000000      0.000000 
1 1 1 -22 0  23 o 12.93483 7.982566 6.899888       19.82556 6.899888       19.82556 6.899888       19.82556 12.93483 7.982566 12.93483 7.982566 -0.000000      0.000000 
1 1 1 -22 0  24 o 77.84306 4.716726 303.0231       35.63377 303.0231       35.63377 303.0231       35.63377 77.84306 4.716726 77.84306 4.716726 -0.000000      0.000000 
1 1 1 -22 0  25 o 84.23777 7.551745 365.6000       61.06122 365.6000       61.06122 365.6000       61.06122 84.23777 7.551745 84.23777 7.551745 -0.000000      0.000000 
1 1 1 -22 0  26 o 100.9193 4.531878 507.1436       44.56095 507.1436       44.56095 507.1436       44.56095 100.9193 4.531878 100.9193 4.531878 -0.000000      0.000000 
1 1 1 -22 0  27 o 16.08772 10.58890 -3.044000      42.42309 -3.044000      42.42309 -3.044000      42.42309 16.08772 10.58890 16.08772 10.58890 -0.000000      0.000000 
1 1 1 -22 0  28 o 40.41677 13.51396 110.0000       47.66027 110.0000       47.66027 110.0000       47.66027 40.41677 13.51396 40.41677 13.51396 -0.000000      0.000000 
1 1 1 -22 0  29 o 55.99512 5.744401 161.3654       30.66110 161.3654       30.66110 161.3654       30.66110 55.99512 5.744401 55.99512 5.744401 -0.000000      0.000000 
1 1 1 -22 0  30 o 49.61561 6.290077 129.2127       29.21194 129.2127       29.21194 129.2127       29.21194 49.61561 6.290077 49.61561 6.290077 -0.000000      0.000000 
1 1 1 -22 0  31 o 15.29573 9.584656 9.252000       29.69960 9.252000       29.69960 9.252000       29.69960 15.29573 9.584656 15.29573 9.584656 -0.000000      0.000000 
1 1 1 -22 0  32 f 87.13760 6.375177 389.5000       53.69238 389.5000       53.69238 389.5000       53.69238 87.13760 6.375177 87.13760 6.375177 0.000000       0.000000 
1 1 1 -22 0  33 o 37.68441 9.248779 84.81599       29.54249 84.81599       29.54249 84.81599       29.54249 37.68441 9.248779 37.68441 9.248779 0.000000       0.000000 
1 1 1 -22 0  34 o 27.51360 10.93089 55.16237       28.41476 55.16237       28.41476 55.16237       28.41476 27.51360 10.93089 27.51360 10.93089 0.000000       0.000000 
1 1 1 -22 0  35 o 12.43147 8.282895 -4.738773      27.27730 -4.738773      27.27730 -4.738773      27.27730 12.43147 8.282895 12.43147 8.282895 0.000000       0.000000 
1 1 1 -22 0  36 o 15.34363 9.536798 12.11177       28.79397 12.11177       28.79397 12.11177       28.79397 15.34363 9.536798 15.34363 9.536798 0.000000       0.000000 
1 1 1 -22 0  37 f 13.41535 8.769585 1.083381       28.35934 1.083381       28.35934 1.083381       28.35934 13.41535 8.769585 13.41535 8.769585 0.000000       0.000000 
1 1 1 -22 0  38 o 16.63798 10.08864 18.27854       30.43874 18.27854       30.43874 18.27854       30.43874 16.63798 10.08864 16.63798 10.08864 0.000000       0.000000 
1 1 1 -22 0  39 o 45.96801 8.505899 121.2352       34.41718 121.2352       34.41718 121.2352       34.41718 45.96801 8.505899 45.96801 8.505899 0.000000       0.000000 
1 1 1 -22 0  40 o 13.95287 9.128407 2.215157       30.81932 2.215157       30.81932 2.215157       30.81932 13.95287 9.128407 13.95287 9.128407 0.000000       0.000000 
1 1 1 -22 0  41 o 13.91396 9.166304 0.7559587      31.89974 0.7559587      31.89974 0.7559587      31.89974 13.91396 9.166304 13.91396 9.166304 0.000000       0.000000 
1 1 1 -22 0  42 o 22.61654 11.77850 45.06541       33.96421 45.06541       33.96421 45.06541       33.96421 22.61654 11.77850 22.61654 11.77850 0.000000       0.000000 
1 1 1 -22 0  43 o 13.74845 9.140097 -1.158013      32.90482 -1.158013      32.90482 -1.158013      32.90482 13.74845 9.140097 13.74845 9.140097 0.000000       0.000000 
1 1 1 -22 0  44 o 12.05345 8.351071 -19.12357      33.97559 -19.12357      33.97559 -19.12357      33.97559 12.05345 8.351071 12.05345 8.351071 0.000000       0.000000 
1 1 1 -22 0  45 o 22.33076 11.90401 45.81140       35.33507 45.81140       35.33507 45.81140       35.33507 22.33076 11.90401 22.33076 11.90401 0.000000       0.000000 
1 1 1 -22 0  46 o 15.71426 10.72357 -8.586000      51.27344 -8.586000      51.27344 -8.586000      51.27344 15.71426 10.72357 15.71426 10.72357 0.000000       0.000000 
1 1 1 -22 0  47 o 23.11212 12.28277 50.13752       37.52095 50.13752       37.52095 50.13752       37.52095 23.11212 12.28277 23.11212 12.28277 0.000000       0.000000 
1 1 1 -22 0  48 o 14.37481 9.928742 -17.36000      47.11026 -17.36000      47.11026 -17.36000      47.11026 14.37481 9.928742 14.37481 9.928742 0.000000       0.000000 
1 1 1 -22 0  49 o 19.49220 12.41252 29.49000       52.11618 29.49000       52.11618 29.49000       52.11618 19.49220 12.41252 19.49220 12.41252 0.000000       0.000000 
1 1 1 -22 0  50 o 63.40406 7.653183 225.2087       45.66131 225.2087       45.66131 225.2087       45.66131 63.40406 7.653183 63.40406 7.653183 0.000000       0.000000 
1 1 1 -22 0  51 o 37.01106 12.42629 102.3379       40.18095 102.3379       40.18095 102.3379       40.18095 37.01106 12.42629 37.01106 12.42629 0.000000       0.000000 
1 1 1 -22 0  52 o 14.59731 10.11967 -16.74000      50.08316 -16.74000      50.08316 -16.74000      50.08316 14.59731 10.11967 14.59731 10.11967 0.000000       0.000000 
1 1 1 -22 0  53 o 24.22561 14.31146 70.14000       58.23259 70.14000       58.23259 70.14000       58.23259 24.22561 14.31146 24.22561 14.31146 0.000000       0.000000 
1 1 1 -22 1  1  o 130.0007 3.164896 829.7740       40.27275 853.0930       57.90378 807.9243       56.05000 131.5235 4.504418 127.9953 4.480698 3.528183       6.353458 
1 1 1 -22 1  2  f 122.1013 4.521470 735.4309       53.94553 738.1000       76.56669 732.8000       76.01727 121.8326 6.443430 121.4002 6.419977 0.4324265      9.095818 
1 1 1 -22 1  3  o 91.89732 2.871639 414.8195       25.79916 406.7040       36.53679 422.8896       36.43446 90.81827 4.120823 92.62654 4.028193 -1.808273      5.762597 
1 1 1 -22 1  4  o 47.09211 3.259124 109.4284       14.93028 111.4824       21.61726 107.5549       20.64545 47.32368 4.730077 46.49659 4.596316 0.8270836      6.595434 
1 1 1 -22 1  5  o 76.08487 2.859874 284.4859       21.26070 289.3387       30.51023 279.9051       29.64288 76.56967 4.085618 75.31520 4.035713 1.254471       5.742756 
1 1 1 -22 1  6  o 94.97403 2.899292 443.1235       26.92119 423.0820       37.61273 464.1754       38.54916 92.61319 4.159735 97.03132 4.067815 -4.418129      5.818120 
1 1 1 -22 1  7  o 42.13945 3.839927 88.06588       15.66483 63.87000       23.26957 108.1187       21.18387 35.23233 6.994275 46.58991 4.709837 -11.35759      8.432227 
1 1 1 -22 1  8  o 198.1324 4.168860 1933.331       80.84983 1910.499       113.7557 1956.638       114.9312 196.2480 5.928710 198.6102 5.918544 -2.362198      8.377276 
1 1 1 -22 1  9  o 38.19035 3.872691 72.50716       14.27687 59.83533       20.33340 84.82903       20.05067 34.19070 6.308028 41.12914 5.088958 -6.938435      8.104856 
1 1 1 -22 1  10 o 74.59203 2.982800 273.6925       21.73433 263.8352       30.50827 283.8510       30.97090 73.03613 4.286343 75.78185 4.191577 -2.745712      5.995170 
1 1 1 -22 1  11 o 160.6085 3.622524 1269.263       56.94899 1250.436       80.03267 1288.573       81.05309 158.8965 5.152542 161.3084 5.139976 -2.411942      7.277915 
1 1 1 -22 1  12 o 58.57640 3.145999 169.1221       17.97179 175.5735       25.46151 162.7166       25.37062 59.48867 4.403868 57.22713 4.567084 2.261543       6.344471 
1 1 1 -22 1  13 o 75.59626 2.958676 281.2277       21.85065 274.8971       30.71778 287.7119       31.08854 74.52644 4.228230 76.25838 4.180914 -1.731934      5.946257 
1 1 1 -22 1  14 o 63.93787 3.039578 201.4208       18.96847 215.4506       27.18316 188.1059       26.48153 65.93013 4.234599 61.54932 4.425087 4.380810       6.124804 
1 1 1 -22 1  15 o 11.42157 5.105627 -4.849243      11.68149 11.48466       16.66266 -20.63595      16.38118 17.93836 6.838768 11.32256 5.388721 6.615797       8.706725 
1 1 1 -22 1  16 o 13.30477 5.575429 1.599325       12.21444 -2.687287      17.57184 5.606987       16.99048 14.82675 6.458016 16.45388 6.703015 -1.627132      9.307867 
1 1 1 -22 1  17 o 49.27461 3.400482 120.2100       16.30040 116.1545       23.15020 124.1975       22.95553 48.11310 4.987976 49.81911 4.765460 -1.706005      6.898516 
1 1 1 -22 1  18 o 41.17596 3.843318 84.47054       15.31125 76.51012       21.44579 92.74682       21.86711 38.71337 5.841055 42.83228 5.330754 -4.118904      7.907899 
1 1 1 -22 1  19 o 13.34922 5.603645 1.581821       12.37092 -8.359058      17.02612 12.69882       18.00516 13.46667 6.079664 18.63014 7.107375 -5.163471      9.352920 
1 1 1 -22 1  20 o 94.10751 3.419931 437.7459       31.45032 492.0000       53.32520 408.8080       38.94481 99.00897 5.524299 90.64507 4.402505 8.363899       7.063989 
1 1 1 -22 1  21 o 32.09138 4.884055 52.45292       14.85849 45.14911       20.79612 60.06968       21.23697 29.20532 7.296276 33.91072 6.635787 -4.705404      9.862521 
1 1 1 -22 1  22 o 98.31629 3.487599 478.6288       33.50965 468.9533       41.98899 495.6000       55.61023 96.96954 4.435530 99.06580 5.759725 -2.096252      7.269687 
1 1 1 -22 1  23 o 75.89762 3.896886 286.6714       28.85331 281.4000       54.53736 288.7203       34.00160 73.47252 7.697509 75.92477 4.596729 -2.452255      8.965577 
1 1 1 -22 1  24 o 31.99827 5.292244 52.74002       15.99680 48.53703       21.90867 57.53954       23.41184 30.10225 7.470831 32.79989 7.461048 -2.697636      10.55844 
1 1 1 -22 1  25 o 33.08412 5.604877 56.70549       17.50332 49.17000       24.81526 64.16634       24.69205 30.12752 8.198080 34.60352 7.506405 -4.475992      11.11551 
1 1 1 -22 1  26 f 41.86470 5.250967 89.66505       21.04550 91.84896       23.87683 82.06000       44.55635 42.12639 5.956480 37.78094 11.22816 4.345451       12.71028 
1 1 1 -22 1  27 o 71.58513 5.615880 261.5393       39.03538 336.2000       57.56935 198.0000       53.10878 80.03351 7.433719 60.09977 9.330329 19.93374       11.92959 
1 1 1 -22 1  28 o 43.65826 5.676057 98.42170       23.68233 86.27000       47.14893 102.5220       27.38789 38.30172 11.58905 44.21803 6.523501 -5.916309      13.29895 
1 1 1 -22 1  29 o 32.00059 7.310009 55.47481       22.39403 39.76000       46.51675 60.21570       25.54964 29.17783 11.34655 33.12407 7.976082 -3.946239      13.86946 
1 1 1 -22 1  30 f 47.38031 4.892816 114.6151       22.36547 108.6000       35.54749 118.5564       28.77452 44.36228 8.495578 47.55437 6.339530 -3.192089      10.60021 
1 1 1 -22 1  31 o 68.06493 4.039455 232.9385       26.79137 247.3000       43.76071 224.3282       33.88378 68.66605 6.591692 66.17568 5.274652 2.490364       8.442295 
1 1 1 -22 1  32 o 25.81440 7.765392 36.59228       21.21337 8.846100       27.92058 74.48000       32.62662 20.05692 8.418840 35.93990 9.227651 -15.88299      12.49105 
1 1 1 -22 1  33 o 13.02558 6.150136 -19.99727      20.53342 3.756667       25.95177 -59.76000      33.57665 18.51020 7.954640 14.17540 6.966666 4.334807       10.57406 
1 1 1 -22 1  34 o 23.48000 7.563605 30.06575       19.75611 29.53266       27.46115 30.63767       28.44347 24.02248 8.857067 24.39472 9.010593 -0.3722401     12.63481 
1 1 1 -22 1  35 o 71.26457 3.775180 256.8740       26.24010 234.8887       36.72802 279.7960       37.50229 66.79943 5.670726 73.28847 5.262802 -6.489037      7.736551 
1 1 1 -22 1  36 o 20.94772 7.611024 22.15261       20.16477 24.85183       28.49079 19.44333       28.54386 22.82470 8.878843 21.71734 8.745546 1.107355       12.46268 
1 1 1 -22 1  37 o 46.52825 5.029775 113.4021       22.54346 103.7080       31.72286 123.2923       32.04208 42.53457 7.910532 47.02928 7.188481 -4.494709      10.68882 
1 1 1 -22 1  38 o 21.57886 7.785391 24.50118       21.05149 19.31694       29.70691 29.73062       29.83613 21.70113 8.854774 23.81957 9.133766 -2.118443      12.72135 
1 1 1 -22 1  39 o 22.44236 7.949157 27.52669       21.84284 29.74689       32.09523 25.61115       29.81188 23.97078 9.395007 22.87296 9.027252 1.097824       13.02910 
1 1 1 -22 1  40 o 40.91562 6.302732 92.16305       24.43276 111.8041       35.51266 74.51003       33.66742 43.10677 8.716454 34.19608 9.643655 8.910690       12.99910 
1 1 1 -22 1  41 o 38.47783 6.844424 83.62349       24.83344 118.8301       35.63102 50.36740       34.62996 44.54073 8.482377 28.09096 10.00307 16.44977       13.11534 
1 1 1 -22 1  42 f 21.63788 8.197627 24.68081       23.85022 48.34670       33.91361 1.522476       33.54797 27.52956 9.888027 19.29393 8.636506 8.235636       13.12868 
1 1 1 -22 1  43 o 46.57452 5.922607 119.1370       26.39041 137.2282       38.07877 102.4163       36.60801 47.49978 8.502224 39.82266 9.520817 7.677120       12.76455 
1 1 1 -22 1  44 o 26.42830 8.428737 43.58074       24.57887 48.67442       34.93279 38.58674       34.58929 27.11572 9.990965 25.07653 9.775043 2.039188       13.97751 
1 1 1 -22 1  45 o 16.99805 7.740095 -4.422919      28.32383 15.22910       34.06479 -48.44000      50.98151 20.92929 9.054575 18.17862 8.859322 2.750671       12.66779 
1 1 1 -22 1  46 o 16.42342 7.601121 -10.07803      28.88007 -33.00113      34.56112 42.97000       52.57579 15.68992 7.561703 26.25308 11.30261 -10.56317      13.59884 
1 1 1 -22 1  47 o 12.82449 6.332385 -49.81625      28.85293 -19.43000      54.52711 -61.63301      34.00346 20.53751 9.790390 13.55958 6.727147 6.977937       11.87881 
1 1 1 -22 1  48 o 20.42453 8.555259 17.92285       28.74048 -24.61000      48.32386 41.20222       35.75074 19.13267 9.147024 25.27740 9.913084 -6.144726      13.48841 
1 1 1 -22 1  49 o 14.40812 6.939103 -29.26046      28.98394 -26.33417      36.57519 -34.20000      47.51937 16.62603 7.951121 18.27590 8.822589 -1.649866      11.87680 
1 1 1 -22 1  50 o 20.34123 8.728670 16.16340       31.16191 25.31203       39.11497 0.2685000      51.55772 22.65439 9.751065 21.37041 9.980043 1.283979       13.95294 
1 1 1 -22 1  51 o 58.69176 5.324694 188.1494       30.25735 221.5737       43.31499 156.2968       42.28431 60.92151 7.416396 48.88849 9.173065 12.03302       11.79610 
1 1 1 -22 1  52 o 33.33109 9.576232 78.28059       32.89312 89.60000       59.58006 73.31789       39.45015 30.58175 12.51650 30.63992 10.69665 -0.5816460E-01 16.46454 
1 1 1 -22 1  53 o 39.65717 8.607803 103.7306       32.45248 78.59000       54.67272 117.4072       40.32480 28.93124 11.93131 39.86480 10.27078 -10.93356      15.74310 
1 1 1 -22 2  1  o 67.91222 2.860585 226.7185       18.97297 226.0939       27.18261 227.3119       26.49428 67.65825 4.124127 67.85818 4.006645 -0.1999359     5.749924 
1 1 1 -22 2  2  o 116.5952 3.489144 668.5563       39.77560 720.0044       51.00372 588.7000       63.54359 120.8493 4.318672 108.8839 5.985157 11.96541       7.380584 
1 1 1 -22 2  3  o 204.3862 4.244216 2056.537       84.90932 2089.091       121.5529 2025.514       118.6592 205.2886 6.055770 202.1602 6.003172 3.128372       8.527041 
1 1 1 -22 2  4  o 52.84987 3.105629 137.6040       15.99489 134.6789       22.95344 140.3652       22.30106 52.08573 4.547743 53.21811 4.318213 -1.132374      6.271278 
1 1 1 -22 2  5  o 56.51218 3.042829 157.2376       16.76955 143.7248       23.60580 171.0051       23.82719 53.82028 4.522713 58.79412 4.167316 -4.973846      6.149915 
1 1 1 -22 2  6  o 14.29617 5.632466 5.742630       11.58781 14.55945       16.31653 -3.229578      16.45968 18.83342 6.845851 14.27439 6.233284 4.559029       9.258483 
1 1 1 -22 2  7  o 14.69755 5.729214 6.578965       11.88210 24.68680       16.58355 -12.52397      17.03312 22.29283 6.897769 12.85426 5.908963 9.438569       9.082680 
1 1 1 -22 2  8  o 52.40622 3.213826 135.4230       16.40657 127.1375       23.11703 143.8321       23.28870 50.54647 4.727179 53.83506 4.459482 -3.288582      6.498708 
1 1 1 -22 2  9  o 39.86461 3.714061 78.85268       14.32574 77.82699       20.21922 79.88661       20.30033 39.30500 5.397875 39.84254 5.339656 -0.5375404     7.592693 
1 1 1 -22 2  10 o 85.90913 2.928581 362.8562       24.59050 371.0354       35.08512 354.9588       34.47532 86.67660 4.147408 84.76994 4.167673 1.906654       5.879668 
1 1 1 -22 2  11 o 181.9745 3.932552 1631.115       70.04727 1623.378       99.05789 1638.854       99.06571 180.8647 5.602128 181.7374 5.575539 -0.8727112     7.903826 
1 1 1 -22 2  12 o 61.84056 3.069665 188.3884       18.52298 184.9710       26.25859 191.7732       26.13277 61.06181 4.423336 62.19920 4.319173 -1.137390      6.182326 
1 1 1 -22 2  13 o 114.7060 3.100528 647.2668       34.77998 665.7184       50.00062 629.9701       48.41056 116.0279 4.410607 112.8705 4.390180 3.157349       6.223113 
1 1 1 -22 2  14 o 67.41542 3.040455 223.8921       20.01174 218.5121       28.18990 229.3576       28.41319 66.36885 4.363538 68.01776 4.289522 -1.648911      6.118861 
1 1 1 -22 2  15 o 47.40725 3.463550 111.2656       15.96119 97.75079       22.05115 126.1388       23.13275 44.08440 5.210829 50.25212 4.759641 -6.167721      7.057402 
1 1 1 -22 2  16 o 51.17596 3.394591 129.5679       16.90822 146.3316       24.21657 113.6223       23.61833 54.16629 4.611287 47.56080 5.155698 6.605488       6.917022 
1 1 1 -22 2  17 o 87.79128 2.991834 379.6888       25.67202 378.0764       36.36553 381.2907       36.24620 87.31008 4.268127 87.69010 4.235374 -0.3800201     6.012928 
1 1 1 -22 2  18 o 61.01732 3.184015 183.9030       18.95087 169.3335       26.65627 198.7924       26.94726 58.21902 4.718051 63.19306 4.383687 -4.974037      6.440242 
1 1 1 -22 2  19 o 55.00720 3.257957 149.6980       17.46311 159.9697       24.71676 139.4598       24.67641 56.60090 4.498281 52.74094 4.833699 3.859966       6.602967 
1 1 1 -22 2  20 o 61.99032 3.203919 190.0048       19.37473 173.4560       27.03074 207.4897       27.78482 58.86325 4.731274 64.49681 4.427985 -5.633560      6.480124 
1 1 1 -22 2  21 o 67.35951 3.467771 224.7857       22.78721 241.9332       29.12029 197.7000       36.59861 69.66824 4.291084 62.37083 6.071589 7.297413       7.434890 
1 1 1 -22 2  22 o 26.40310 7.174524 36.84291       19.02128 31.27000       39.98323 38.47312       21.62515 27.47951 10.56419 26.98043 7.768686 0.4990826      13.11315 
1 1 1 -22 2  23 o 64.35997 3.239105 205.2446       20.33990 198.9850       28.19598 212.0363       29.36983 62.97466 4.606056 65.00316 4.646591 -2.028500      6.542673 
1 1 1 -22 2  24 o 67.91619 3.264589 228.6540       21.63886 243.2630       30.10876 213.0469       31.12023 69.68835 4.436984 65.02342 4.926175 4.664925       6.629783 
1 1 1 -22 2  25 o 39.31347 5.432740 79.31960       20.34759 83.01343       23.02309 66.14000       43.48867 40.01498 6.068196 34.47381 11.23127 5.541172       12.76575 
1 1 1 -22 2  26 o 45.79080 5.537794 107.5317       24.31749 103.6000       28.84121 117.2000       45.22697 44.41214 6.854841 45.50140 10.38440 -1.089268      12.44286 
1 1 1 -22 2  27 o 31.98026 6.578806 54.31576       19.90613 52.72275       22.53212 59.98000       42.48776 31.22171 7.472609 32.88033 11.11405 -1.658617      13.39261 
1 1 1 -22 2  28 o 52.64431 3.909304 138.9362       20.00076 117.5110       27.39877 163.3776       29.26395 47.61452 6.012567 56.55107 5.350337 -8.936546      8.048419 
1 1 1 -22 2  29 o 29.88849 8.537776 49.35270       26.21885 0.000000       0.000000 49.35270       26.21885 ?        ?        29.88849 8.537776 ?              ?        
1 1 1 -22 2  30 o 67.03203 5.310116 229.8613       34.55670 0.000000       0.000000 229.8613       34.55670 ?        ?        67.03203 5.310116 ?              ?        
1 1 1 -22 2  31 o 75.25755 4.590009 286.8031       33.65112 262.7000       46.21664 314.0000       49.09325 70.64758 6.765945 77.45884 6.536004 -6.811264      9.407304 
1 1 1 -22 2  32 o 13.92671 6.273023 -6.754108      18.00755 -15.35445      25.47032 1.841104       25.46272 15.55150 7.176559 18.11421 7.832491 -2.562706      10.62313 
1 1 1 -22 2  33 o 39.95900 6.120259 84.88845       23.17699 84.71582       29.43711 85.17000       37.59326 38.88953 8.000262 37.74443 10.01225 1.145100       12.81598 
1 1 1 -22 2  34 o 24.74740 8.055299 33.86570       22.37341 41.04333       28.26379 21.82000       36.61475 26.92388 9.064734 23.82092 9.787692 3.102957       13.34048 
1 1 1 -22 2  35 o 51.33299 4.561560 135.6993       22.68166 137.6526       31.90450 133.7033       32.25173 50.37478 6.631311 49.48883 6.840675 0.8859444      9.527283 
1 1 1 -22 2  36 o 18.73786 7.421436 13.77330       20.21437 18.36238       28.19211 8.917466       28.99989 21.42666 8.669004 19.86666 8.470033 1.559999       12.11995 
1 1 1 -22 2  37 o 17.95969 7.347778 10.41391       20.52315 5.235671       28.73311 15.80737       29.32414 19.10473 8.290339 21.04961 8.714938 -1.944881      12.02829 
1 1 1 -22 2  38 o 36.77832 6.398677 74.42789       22.19890 97.17486       32.05171 53.45677       30.77516 40.69549 8.327206 29.45262 9.435583 11.24287       12.58462 
1 1 1 -22 2  39 o 22.36603 7.959434 27.24380       21.92228 15.40867       32.10482 37.58276       30.00696 21.35043 8.998577 25.48460 9.280765 -4.134169      12.92699 
1 1 1 -22 2  40 o 15.33528 6.911849 -4.951489      21.90148 -17.70322      31.25039 7.357908       30.70359 16.57322 7.749596 19.65636 8.549427 -3.083145      11.53902 
1 1 1 -22 2  41 o 15.20528 6.939093 -7.798387      22.92612 14.83854       32.43218 -30.40813      32.41270 21.07574 8.970447 15.60814 7.469911 5.467596       11.67341 
1 1 1 -22 2  42 o 18.55148 7.757474 11.02297       23.56958 29.56279       33.30366 -7.581024      33.36124 23.65803 9.474351 18.12036 8.307486 5.537674       12.60070 
1 1 1 -22 2  43 o 12.18053 5.953383 -36.11953      23.50484 -43.78442      33.78699 -28.93094      32.72039 14.78123 7.205517 15.67241 7.501912 -0.8911867     10.40183 
1 1 1 -22 2  44 o 23.07919 8.930261 30.29677       28.70505 46.09391       34.63034 -4.388000      51.31413 26.57561 9.918436 21.46282 10.00100 5.112787       14.08529 
1 1 1 -22 2  45 o 18.95309 8.243691 8.743032       28.54794 8.834795       34.64692 8.549000       50.38137 20.11763 8.904347 22.38440 10.24236 -2.266775      13.57178 
1 1 1 -22 2  46 o 23.19588 8.492070 32.15130       25.17261 2.645353       36.29713 59.49284       34.94049 19.58786 8.856784 29.27352 10.07477 -9.685654      13.41430 
1 1 1 -22 2  47 o 14.10882 6.792501 -28.80297      27.71324 -63.72000      49.84433 -13.17923      33.34184 17.03211 8.393484 17.15008 8.014556 -0.1179657     11.60533 
1 1 1 -22 2  48 o 24.56801 9.255612 38.05505       30.30576 -16.43000      55.69564 60.97224       36.12130 20.84247 9.924243 29.30452 10.23507 -8.462048      14.25648 
1 1 1 -22 2  49 o 27.78123 8.770185 50.34193       26.66904 44.58828       38.73124 55.52937       36.77611 25.84310 10.26086 27.99847 10.26209 -2.155373      14.51192 
1 1 1 -22 2  50 o 23.04536 9.095500 31.71491       30.26497 23.73351       38.87231 44.00000       48.22696 22.40384 9.682436 25.70996 10.94073 -3.306120      14.60990 
1 1 1 -22 2  51 o 35.15770 9.190402 83.10862       31.97571 87.40638       41.47403 76.81000       50.20858 33.61870 10.96907 30.18251 11.77372 3.436190       16.09164 
1 1 1 -22 2  52 o 29.66418 8.770562 59.28595       27.24272 76.66075       39.21783 43.08361       37.87149 31.37614 10.67708 24.93850 10.06270 6.437637       14.67168 
1 1 1 -22 2  53 f 27.02928 8.928082 51.01545       27.44154 59.82448       40.04193 43.21421       37.68190 27.37452 10.55935 24.57442 9.993105 2.800098       14.53830 
1 1 1 -22 3  1  o 46.82127 4.293159 108.8342       19.45673 101.2000       28.38521 115.6000       26.72199 44.67106 6.697948 47.99590 5.805846 -3.324841      8.863993 
1 1 1 -22 3  2  o 114.1155 3.013880 639.6970       33.63538 649.0745       48.76526 631.1871       46.45409 114.7208 4.350608 113.1560 4.201409 1.564781       6.048110 
1 1 1 -22 3  3  o 79.65527 2.843949 311.7648       22.13834 298.0803       31.88863 324.4967       30.75862 77.70024 4.208539 81.13062 3.884537 -3.430382      5.727253 
1 1 1 -22 3  4  o 120.6682 3.084402 715.3834       36.40106 704.0462       51.59671 726.6176       51.36185 119.4651 4.420019 121.3868 4.329713 -1.921677      6.187325 
1 1 1 -22 3  5  o 129.7283 3.194560 826.5464       40.56505 812.1353       57.42655 840.8986       57.30892 128.2758 4.580992 130.5515 4.491397 -2.275681      6.415460 
1 1 1 -22 3  6  o 94.01079 2.910274 434.2463       26.74819 438.9033       38.82639 430.0394       36.90223 94.31211 4.216507 93.38318 4.046783 0.9289322      5.844260 
1 1 1 -22 3  7  o 62.71519 2.997550 193.5594       18.34790 199.6954       26.69960 188.0689       25.25621 63.51891 4.320040 61.65115 4.210517 1.867752       6.032512 
1 1 1 -22 3  8  o 107.3032 3.007938 565.8651       31.56162 581.0006       45.52380 551.8566       43.79605 108.4972 4.295096 105.7481 4.239722 2.749016       6.035155 
1 1 1 -22 3  9  o 101.0486 3.019193 501.9528       29.82909 508.6347       42.94603 495.7245       41.46247 101.4828 4.333364 100.2043 4.236856 1.278511       6.060444 
1 1 1 -22 3  10 o 96.11266 2.980553 454.1692       28.00647 450.7729       39.78531 457.5053       39.43133 95.52489 4.265765 96.25150 4.195387 -0.7266159     5.983145 
1 1 1 -22 3  11 o 10.24030 4.742369 -9.468041      11.26763 -11.28844      14.96500 -7.085196      17.12150 11.99578 5.523171 13.81252 6.177315 -1.816736      8.286412 
1 1 1 -22 3  12 o 26.48821 5.237603 35.93859       13.09838 21.47967       18.12675 51.73796       18.94837 21.42142 7.259284 31.69578 6.329233 -10.27436      9.631012 
1 1 1 -22 3  13 o 25.88143 5.257247 34.37811       12.86345 30.74006       17.92266 38.24307       18.47314 24.49606 7.078275 27.13503 6.931097 -2.638971      9.906669 
1 1 1 -22 3  14 o 56.03786 3.199168 154.9759       17.47498 163.4379       24.86728 146.7202       24.56224 57.33185 4.466466 54.26131 4.669959 3.070538       6.462030 
1 1 1 -22 3  15 o 83.66374 2.988404 344.6453       24.43344 355.0092       34.76645 334.5308       34.34561 84.66600 4.208316 82.16374 4.285372 2.502258       6.006192 
1 1 1 -22 3  16 o 151.7716 3.539326 1135.517       52.57961 1137.545       74.76415 1133.532       73.95995 151.2610 5.056746 151.0152 5.010388 0.2457886      7.118614 
1 1 1 -22 3  17 f 34.83566 4.255209 60.91485       14.20865 58.44350       19.87936 63.49593       20.31587 33.64452 6.266986 35.13830 6.129546 -1.493782      8.766211 
1 1 1 -22 3  18 o 23.70012 5.850245 29.20145       13.48845 53.67494       19.18949 5.300745       18.96360 32.17265 6.319120 17.08864 7.035048 15.08401       9.456383 
1 1 1 -22 3  19 o 37.13260 4.301695 69.24540       15.34623 73.05241       21.43093 65.23885       21.98538 37.72367 6.005014 35.44732 6.578574 2.276352       8.907179 
1 1 1 -22 3  20 o 18.51365 6.426137 15.75828       14.22741 29.21961       18.03321 -6.435000      23.15474 23.81401 7.158820 16.37370 7.261606 7.440310       10.19704 
1 1 1 -22 3  21 o 73.71714 3.841520 269.8837       27.62337 280.0000       53.82086 266.2658       32.18602 73.58804 7.580328 73.01480 4.525747 0.5732422      8.828576 
1 1 1 -22 3  22 o 82.84167 3.096510 339.2019       25.06470 338.5264       34.84421 339.9262       36.08186 82.37241 4.336860 82.48840 4.485667 -0.1159897     6.239356 
1 1 1 -22 3  23 o 29.27582 5.332560 44.32249       14.71816 56.06379       19.53873 28.92048       22.37829 32.72021 6.329520 24.05223 8.065646 8.667982       10.25268 
1 1 1 -22 3  24 o 34.76305 5.700871 62.50581       18.72656 57.16356       21.03570 82.91000       41.11065 32.88382 6.761320 38.36287 10.59749 -5.479057      12.57069 
1 1 1 -22 3  25 o 35.97947 5.760454 67.04478       19.60285 50.96300       21.89545 132.0000       44.00417 30.81343 7.360719 48.97408 9.522561 -18.16065      12.03575 
1 1 1 -22 3  26 o 96.83521 3.231787 464.8938       30.58957 511.0414       43.88559 421.2860       42.66079 100.9585 4.451866 91.47826 4.780955 9.480240       6.532736 
1 1 1 -22 3  27 o 57.38657 3.986992 165.0019       22.25629 137.9000       33.36872 186.7201       29.87121 51.29612 6.814218 60.63950 5.079206 -9.343372      8.498936 
1 1 1 -22 3  28 o 24.23359 8.075622 30.28055       22.43873 9.098000       26.42132 85.09000       42.50041 19.96189 8.269183 38.27484 10.84928 -18.31295      13.64134 
1 1 1 -22 3  29 o 53.72645 4.488051 145.9754       23.38676 112.3000       35.70305 171.2835       30.95131 45.29810 8.360200 57.75777 5.542674 -12.45967      10.03066 
1 1 1 -22 3  30 o 19.02847 8.061505 5.345737       25.98560 0.000000       0.000000 5.345737       25.98560 ?        ?        19.02847 8.061505 ?              ?        
1 1 1 -22 3  31 o 17.72644 7.534106 3.849234       22.82110 26.35000       46.43262 -3.317202      26.20452 26.71388 11.00401 17.58147 7.764584 9.132408       13.46763 
1 1 1 -22 3  32 o 24.00562 7.395643 31.21678       19.08836 40.82605       26.19356 20.33434       27.87485 27.11376 8.706796 22.27104 8.747551 4.842712       12.34212 
1 1 1 -22 3  33 o 17.86786 7.097921 11.16785       18.54238 -3.310711      25.48820 27.44499       27.02499 17.18029 7.619055 23.59136 8.770215 -6.411072      11.61752 
1 1 1 -22 3  34 o 37.86227 6.493314 77.64808       23.19876 87.28558       29.42575 61.82000       37.71024 39.33111 7.917675 31.83135 10.46383 7.499754       13.12179 
1 1 1 -22 3  35 o 67.21085 4.461128 231.5854       29.18269 213.9496       36.07087 265.0000       49.65096 63.55873 5.864036 69.25095 7.441410 -5.692219      9.474254 
1 1 1 -22 3  36 f 25.70977 7.688098 37.74600       20.83941 30.00816       29.21458 45.76200       29.73505 24.00858 9.078015 27.78456 9.297086 -3.775976      12.99408 
1 1 1 -22 3  37 o 43.23441 5.413146 99.15813       22.40722 102.8643       31.79071 95.49917       31.58745 42.26042 7.977657 40.46936 8.254122 1.791058       11.47927 
1 1 1 -22 3  38 o 16.95317 7.227656 5.131374       21.11527 37.15924       30.71591 -23.56520      29.07465 25.48925 9.372515 15.42538 7.293763 10.06387       11.87615 
1 1 1 -22 3  39 o 27.74594 7.889729 45.28893       22.44012 49.57132       32.97889 41.59670       30.62224 28.27869 9.785416 26.42202 9.406691 1.856674       13.57351 
1 1 1 -22 3  40 o 33.50763 7.330470 64.83810       23.37241 51.06503       33.74114 77.54305       32.40641 28.38083 9.893458 35.16099 9.281457 -6.780161      13.56562 
1 1 1 -22 3  41 o 47.77903 5.603320 123.0152       25.70794 154.8447       37.49463 94.77684       35.31613 51.79110 7.624074 38.73109 9.409666 13.06001       12.11067 
1 1 1 -22 3  42 o 21.10556 8.630627 19.50460       28.29786 19.97137       34.47110 18.54000       49.55412 22.11606 9.322950 23.87842 10.60467 -1.762367      14.12008 
1 1 1 -22 3  43 o 20.85975 8.573544 19.29485       28.10501 18.32777       34.21777 21.30000       49.27126 21.60407 9.205322 23.84143 10.58208 -2.237362      14.02563 
1 1 1 -22 3  44 o 23.68257 8.971030 33.19775       28.56045 9.689078       34.94781 80.47000       49.55747 20.34933 8.977771 32.08440 11.88592 -11.73507      14.89549 
1 1 1 -22 3  45 o 11.99813 5.898249 -40.38027      24.12114 -29.12339      34.37886 -51.29485      33.85212 15.97530 7.658285 14.18972 6.977965 1.785570       10.36057 
1 1 1 -22 3  46 o 42.75220 7.583918 108.7683       30.57436 151.1000       52.83010 87.45013       37.49066 44.74338 11.86922 35.37184 10.24229 9.371544       15.67746 
1 1 1 -22 3  47 o 23.17108 8.542342 32.28825       25.54320 13.79213       36.96475 49.19152       35.33727 21.03581 9.258759 26.89202 10.02259 -5.856207      13.64466 
1 1 1 -22 3  48 o 24.26791 8.687392 36.82249       26.15400 39.25078       37.94956 34.62576       36.09479 24.95764 10.07213 24.08179 9.784978 0.8758526      14.04256 
1 1 1 -22 3  49 o 29.14463 9.620001 58.43539       31.86158 62.87000       58.35693 56.55207       38.03008 28.30975 12.04062 28.08789 10.41093 0.2218533      15.91741 
1 1 1 -22 3  50 o 21.33272 8.856313 22.69457       30.39882 33.11684       38.18849 4.668000       50.22361 23.73090 9.895178 21.56978 9.997188 2.161119       14.06621 
1 1 1 -22 3  51 o 21.19111 8.871218 22.34255       30.87539 31.72078       39.11639 6.843000       50.28723 23.38821 9.898829 21.59002 10.00551 1.798195       14.07469 
1 1 1 -22 3  52 o 20.37053 8.692218 18.71737       30.58718 -1.101606      38.04192 54.96000       51.44363 18.93254 8.748815 26.51225 11.29152 -7.579704      14.28426 
1 1 1 -22 3  53 o 16.31622 7.458464 -2.396024      26.62993 16.99492       38.18103 -20.76423      37.16051 20.75641 9.257710 16.73758 8.007179 4.018827       12.24010 
1 1 1 -22 4  1  o 175.2832 5.367241 1519.844       91.97836 1385.000       124.1346 1684.000       136.9637 166.4087 7.641372 183.5263 7.641033 -17.11757      10.80629 
1 1 1 -22 4  2  o 113.2212 4.166718 631.9446       46.09850 575.2000       63.56492 694.9000       66.95322 107.5725 6.061364 118.3426 5.797596 -10.77007      8.387625 
1 1 1 -22 4  3  o 43.68178 4.105223 94.73913       17.34693 118.5000       39.21605 88.95891       19.34215 47.90281 8.683319 42.20800 4.764898 5.694813       9.904760 
1 1 1 -22 4  4  o 100.8041 2.934671 499.2286       28.92553 496.3465       41.86928 501.8601       40.00792 100.2973 4.274615 100.8938 4.059411 -0.5964508     5.895011 
1 1 1 -22 4  5  o 101.5726 2.937390 506.8951       29.17347 486.8607       41.54971 526.3755       40.97141 99.32504 4.283762 103.3272 4.058877 -4.002121      5.901278 
1 1 1 -22 4  6  o 74.01071 2.860779 269.2773       20.68553 251.3221       29.50785 286.6270       29.00611 71.30237 4.247171 76.21899 3.900920 -4.916626      5.766770 
1 1 1 -22 4  7  o 88.25493 2.882512 382.7930       24.86757 406.7709       36.46992 361.9575       33.99633 90.78751 4.114649 85.63837 4.067245 5.149139       5.785570 
1 1 1 -22 4  8  o 104.3990 2.993350 535.7105       30.55705 531.7304       43.81792 539.4786       42.63475 103.7695 4.323426 104.5555 4.174309 -0.7859344     6.009731 
1 1 1 -22 4  9  o 74.14611 2.950645 270.4284       21.37192 253.3239       30.38515 287.1759       30.06628 71.54187 4.359752 76.24562 4.043094 -4.703751      5.945927 
1 1 1 -22 4  10 o 34.33110 4.150323 58.92538       13.66409 56.31166       18.82833 61.83363       19.86087 33.17902 6.019117 34.79983 6.050139 -1.620811      8.534281 
1 1 1 -22 4  11 o 65.74176 3.085406 212.8625       19.79915 205.3051       28.09792 220.3156       27.90354 64.33378 4.490180 66.69129 4.297360 -2.357513      6.215224 
1 1 1 -22 4  12 o 114.5130 3.109706 645.0988       34.82395 608.8851       48.70546 682.9737       49.81012 110.9376 4.494618 117.5464 4.336578 -6.608780      6.245598 
1 1 1 -22 4  13 f 35.30024 4.121888 62.30478       13.97455 77.66348       19.35879 45.59282       20.19365 39.25764 5.162896 29.58728 7.069570 9.670362       8.754103 
1 1 1 -22 4  14 o 48.54805 3.383279 116.5898       15.97679 114.3700       22.61360 118.8021       22.57563 47.80220 4.902370 48.75208 4.792756 -0.9498825     6.855927 
1 1 1 -22 4  15 f 34.15929 4.204593 58.50875       13.76221 63.96774       19.48974 53.07994       19.43579 35.38238 5.830363 32.02911 6.423154 3.353268       8.674679 
1 1 1 -22 4  16 o 57.07045 3.173292 160.8447       17.65689 154.7710       24.88363 167.0040       25.05852 55.70186 4.605026 57.90912 4.455034 -2.207260      6.407308 
1 1 1 -22 4  17 o 78.12148 2.999109 300.8268       22.89083 280.4490       32.15895 321.7551       32.59040 75.11650 4.392987 80.54020 4.147976 -5.423698      6.041858 
1 1 1 -22 4  18 o 62.16041 3.490236 191.2578       21.15081 182.7651       26.58630 205.9000       34.90900 60.52848 4.520007 63.94295 5.635083 -3.414471      7.223893 
1 1 1 -22 4  19 o 77.44074 3.713212 297.1146       28.06456 282.2000       53.25919 302.8479       33.02098 74.12651 7.440838 78.01347 4.341406 -3.886963      8.614748 
1 1 1 -22 4  20 o 62.57680 3.254039 193.7293       19.86313 184.6588       27.81133 203.1735       28.37868 60.73049 4.715447 63.75887 4.577679 -3.028385      6.571955 
1 1 1 -22 4  21 o 21.00683 6.266248 22.64617       13.85720 40.34982       18.70508 1.111072       20.63011 27.63529 6.928667 16.73554 7.139785 10.89975       9.949018 
1 1 1 -22 4  22 o 20.59498 6.328518 21.63246       13.98826 16.34214       18.30837 29.05168       21.68141 19.64458 7.233855 24.03436 7.935807 -4.389780      10.73805 
1 1 1 -22 4  23 o 27.20464 6.556967 39.16410       17.25402 29.78931       19.20690 78.36000       39.27324 23.97046 7.424416 37.45083 10.36275 -13.48036      12.74788 
1 1 1 -22 4  24 o 60.81796 3.980344 184.7190       23.56489 176.1302       27.08122 211.5000       47.82069 59.14224 4.717107 63.35546 7.881162 -4.213226      9.184978 
1 1 1 -22 4  25 o 62.92090 3.408262 196.7610       20.91269 188.2489       28.24684 207.0863       31.11007 61.09916 4.760664 64.00237 5.005702 -2.903206      6.908037 
1 1 1 -22 4  26 f 100.3152 3.162792 498.6881       31.01707 460.9255       42.37033 542.2917       45.52935 95.81370 4.530644 103.9693 4.484380 -8.155624      6.374669 
1 1 1 -22 4  27 o 69.30168 3.726475 239.6938       25.18535 188.8000       37.48999 281.5535       34.00013 60.30476 6.451343 74.72278 4.671969 -14.41801      7.965370 
1 1 1 -22 4  28 o 66.83701 3.914607 223.6002       25.49800 273.9000       40.26570 189.9273       32.94517 73.13914 5.668658 60.87281 5.591617 12.26633       7.962403 
1 1 1 -22 4  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -22 4  30 o 60.64768 4.028593 184.9553       23.77962 159.5271       33.22331 211.6660       34.05090 55.27270 6.250353 64.19648 5.470981 -8.923779      8.306537 
1 1 1 -22 4  31 o 18.26640 7.696888 5.660651       23.47929 -50.24000      47.45847 23.77718       27.01735 18.82416 9.017049 22.98628 8.721160 -4.162115      12.54455 
1 1 1 -22 4  32 o 39.24806 6.759779 82.96497       25.03210 115.4000       48.15942 70.95830       29.30120 43.33522 11.25457 35.32509 8.564027 8.010128       14.14242 
1 1 1 -22 4  33 o 13.93415 6.262300 -5.929045      17.83276 -7.050601      24.31392 -4.623350      26.23405 16.20048 7.293875 17.19584 7.671456 -0.9953594     10.58545 
1 1 1 -22 4  34 o 14.19050 6.354512 -4.993866      18.18047 5.548509       24.52779 -17.84812      27.08399 18.27193 7.789857 15.62789 7.276626 2.644034       10.65979 
1 1 1 -22 4  35 o 38.40362 6.483278 80.41677       23.50422 74.28639       28.57905 93.23000       41.31745 35.74391 8.324196 38.31496 10.63938 -2.571053      13.50883 
1 1 1 -22 4  36 o 41.59997 6.349305 94.04833       25.03600 84.16655       30.28022 115.4000       44.50998 37.96795 8.373108 42.53118 10.70195 -4.563236      13.58825 
1 1 1 -22 4  37 o 25.56612 8.655672 37.87744       25.77078 29.09000       51.55050 40.80524       29.75582 26.15829 11.22581 26.38722 9.284029 -0.2289352     14.56750 
1 1 1 -22 4  38 o 22.12079 7.857753 26.46880       21.35676 33.87058       30.34020 19.19938       30.06770 24.70038 9.270391 21.68637 8.885535 3.014013       12.84106 
1 1 1 -22 4  39 o 56.34568 4.664968 165.1859       25.49819 158.4102       37.29696 171.1317       34.93827 52.91610 7.403072 55.84773 6.513440 -2.931629      9.860546 
1 1 1 -22 4  40 o 32.10753 7.491683 60.10133       23.11231 71.67331       33.76697 49.90133       31.70214 33.36379 9.737662 28.16585 9.599372 5.197945       13.67370 
1 1 1 -22 4  41 o 31.72502 7.889715 60.08205       24.39762 62.04943       34.76099 58.17192       34.25154 30.66686 10.04443 29.79903 9.978318 0.8678379      14.15830 
1 1 1 -22 4  42 o 22.33334 8.359242 27.44665       24.63418 18.90954       34.73234 36.08844       34.94461 21.93793 9.308164 24.93363 9.793966 -2.995701      13.51161 
1 1 1 -22 4  43 o 17.56405 7.898227 -1.027287      28.41281 -6.197089      34.95261 9.044000       48.78487 18.44453 8.473538 22.42476 10.19043 -3.980234      13.25314 
1 1 1 -22 4  44 o 19.18380 7.975134 14.23168       24.69866 -13.43708      35.70373 39.62326       34.20295 17.76292 8.298528 25.18592 9.747325 -7.422998      12.80140 
1 1 1 -22 4  45 o 15.10364 7.128961 -18.61622      27.54779 -37.50000      47.19257 -8.855989      33.92807 18.16062 8.773148 17.81797 8.243793 0.3426495      12.03861 
1 1 1 -22 4  46 o 13.91080 6.605225 -20.04593      24.32914 -29.27305      35.71791 -12.05954      33.22985 16.24275 7.791645 17.24847 8.040845 -1.005722      11.19665 
1 1 1 -22 4  47 o 16.50135 7.417389 -1.205385      25.03060 17.37668       36.59046 -17.54925      34.31612 21.45407 9.332200 16.91934 7.977035 4.534731       12.27693 
1 1 1 -22 4  48 o 30.91674 8.350776 60.65616       25.86170 69.35872       37.77040 52.97512       35.48447 30.89506 10.47867 27.59090 10.08547 3.304155       14.54370 
1 1 1 -22 4  49 o 20.55763 8.660328 18.40709       29.71406 -34.80424      38.35340 98.30000       46.99545 16.32899 7.893360 35.06607 11.68708 -18.73707      14.10294 
1 1 1 -22 4  50 o 35.33625 9.095994 82.73076       31.64662 101.3000       59.08276 75.25977       37.47594 33.15707 12.81677 32.00460 10.42593 1.152473       16.52179 
1 1 1 -22 4  51 o 23.85534 8.719093 36.49606       26.51992 28.66541       38.83764 43.33701       36.30044 22.89087 9.781874 25.19892 9.956303 -2.308058      13.95754 
1 1 1 -22 4  52 o 16.03274 7.494013 -10.89977      29.17718 -22.27342      37.28845 7.060000       46.85703 16.79027 8.029288 20.93179 9.685703 -4.141520      12.58103 
1 1 1 -22 4  53 o 34.39941 8.270112 77.44219       27.50181 57.20169       40.03600 95.52645       37.84342 26.88238 10.50570 35.52429 10.29153 -8.641912      14.70664 
1 1 1 -22 5  1  f 123.4909 3.110202 749.3928       37.56507 743.7366       54.36897 754.5595       51.96275 122.7446 4.533035 123.6889 4.298488 -0.9442902     6.247031 
1 1 1 -22 5  2  o 67.56568 3.868469 225.3375       25.47725 220.4000       36.55761 230.0000       35.52511 66.49416 5.670855 67.99701 5.381367 -1.502853      7.817781 
1 1 1 -22 5  3  o 166.1299 3.668971 1357.272       59.66207 1321.390       84.20139 1393.450       84.54950 163.4192 5.270822 167.8608 5.151929 -4.441589      7.370478 
1 1 1 -22 5  4  o 107.2766 2.964477 565.4611       31.09875 548.0621       44.84720 581.5768       43.16174 105.3701 4.357624 108.6082 4.067223 -3.238091      5.960804 
1 1 1 -22 5  5  o 62.09007 2.937882 189.7012       17.80447 188.5199       26.21734 190.7122       24.25558 61.69464 4.369729 62.11171 4.011070 -0.4170685     5.931544 
1 1 1 -22 5  6  o 135.2898 3.267822 899.4310       43.27426 910.2939       62.31063 889.3102       60.14490 135.7328 4.697060 134.1872 4.585854 1.545593       6.564482 
1 1 1 -22 5  7  o 67.71594 2.951099 225.6055       19.51358 194.4851       27.59264 256.7427       27.60010 62.62754 4.531784 72.10690 3.925259 -9.479362      5.995391 
1 1 1 -22 5  8  o 64.99460 2.984671 207.9190       18.93735 178.1004       26.79841 237.6622       26.76453 59.89622 4.606272 69.35547 3.958954 -9.459251      6.073802 
1 1 1 -22 5  9  o 28.63411 4.790378 41.57627       12.95251 40.45148       18.25952 42.71550       18.37626 27.93798 6.752640 28.71842 6.665852 -0.7804470     9.488504 
1 1 1 -22 5  10 o 49.43081 3.374601 120.7242       16.22983 142.1682       23.40800 100.8718       22.52248 53.47618 4.514075 44.84184 5.229324 8.634346       6.908162 
1 1 1 -22 5  11 o 51.59980 3.295380 131.4747       16.55709 130.3817       23.62231 132.5302       23.21357 51.13547 4.774673 51.58334 4.647327 -0.4478760     6.662969 
1 1 1 -22 5  12 o 37.48231 3.939449 70.01517       14.23755 62.16668       19.57487 78.83088       20.74599 34.88388 5.945835 39.48242 5.518694 -4.598541      8.112270 
1 1 1 -22 5  13 o 81.32014 2.931652 325.4810       23.29730 330.9371       33.51054 320.3768       32.41164 81.75903 4.201442 80.45630 4.129429 1.302734       5.891036 
1 1 1 -22 5  14 o 39.49057 3.826063 77.62791       14.60437 76.20403       20.39911 79.12514       20.91806 38.77152 5.531848 39.51392 5.562075 -0.7423973     7.844617 
1 1 1 -22 5  15 o 43.62601 3.579529 94.45181       15.15112 70.84811       20.96148 120.2749       21.92481 37.23392 5.951774 49.06298 4.619740 -11.82906      7.534295 
1 1 1 -22 5  16 f 78.28165 2.973553 301.9738       22.74320 285.7112       32.08915 318.3886       32.23887 75.84713 4.340401 80.13542 4.123940 -4.288292      5.987150 
1 1 1 -22 5  17 o 57.33467 3.650101 162.9284       20.37828 154.1419       25.54697 178.3000       33.79021 55.51808 4.746584 59.41558 5.887449 -3.897499      7.562547 
1 1 1 -22 5  18 o 39.54869 5.317491 79.37914       20.06361 89.05000       43.57435 76.77718       22.60210 40.30423 10.81934 38.64811 6.182995 1.656116       12.46144 
1 1 1 -22 5  19 o 33.86042 4.526269 57.92973       14.62624 54.66368       19.50947 62.12125       22.10141 32.41008 6.377005 34.48882 6.788702 -2.078735      9.314111 
1 1 1 -22 5  20 f 55.29388 3.392240 151.5665       18.27151 151.4609       25.14114 151.6849       26.60019 54.94988 4.719934 54.90879 5.004147 0.4108810E-01  6.878899 
1 1 1 -22 5  21 o 33.74664 4.604159 57.74395       14.81231 66.64151       19.82552 46.50178       22.28509 35.95472 5.833001 29.53643 7.648338 6.418287       9.618783 
1 1 1 -22 5  22 f 18.25862 6.784056 13.65020       16.16639 13.26870       17.99099 15.25000       36.84187 18.66928 7.108841 23.94811 9.826576 -5.278828      12.12836 
1 1 1 -22 5  23 o 33.12653 5.828244 56.97614       18.20844 43.89020       20.26892 111.7000       41.44925 28.67298 7.225768 45.01166 9.694450 -16.33869      12.09107 
1 1 1 -22 5  24 o 87.33372 3.669855 379.2049       31.30171 349.8463       36.44845 461.7000       61.09785 83.56144 4.472517 94.76411 6.628620 -11.20267      7.996375 
1 1 1 -22 5  25 o 16.58871 6.438923 9.570278       14.95826 2.266762       19.63971 19.65963       23.08345 16.48363 6.996919 21.54478 8.086090 -5.061146      10.69307 
1 1 1 -22 5  26 o 89.01420 3.549735 394.1310       30.86666 391.7000       48.82482 395.7495       39.83762 87.62393 5.723948 88.71368 4.603463 -1.089745      7.345438 
1 1 1 -22 5  27 o 53.81744 4.122979 145.5296       21.55364 120.1000       31.25590 168.5863       29.76187 47.75151 6.885836 57.45562 5.353633 -9.704109      8.722163 
1 1 1 -22 5  28 o 89.28129 3.673682 397.5343       32.03609 444.7000       51.76054 368.2474       40.78709 93.23956 5.698646 85.30222 4.905594 7.937332       7.519270 
1 1 1 -22 5  29 o 77.35777 3.511855 298.4529       26.52239 321.3952       37.92945 276.5020       37.10091 79.59393 4.892083 73.64776 5.179613 5.946167       7.124666 
1 1 1 -22 5  30 o 19.63860 7.453940 16.05739       19.74097 13.21000       28.49435 18.68550       27.37516 21.14301 8.654937 21.99421 8.659688 -0.8511982     12.24329 
1 1 1 -22 5  31 o 19.86065 8.705005 0.1045770      32.36540 -10.13000      50.13824 7.416000       42.37748 22.82670 10.35640 23.22471 10.07320 -0.3980103     14.44730 
1 1 1 -22 5  32 o 59.69510 4.943179 182.8508       28.62487 89.78000       53.45424 220.2707       33.89428 37.41431 12.46421 65.30184 5.349521 -27.88754      13.56370 
1 1 1 -22 5  33 o 17.40202 7.511220 2.338387       23.33488 -56.64000      46.18931 22.54985       27.03921 17.78171 8.611618 22.40084 8.667403 -4.619131      12.21818 
1 1 1 -22 5  34 o 37.30700 5.713300 74.05736       20.20007 83.65983       28.11406 63.80984       29.04300 38.51505 7.726396 32.90342 8.833088 5.611637       11.73544 
1 1 1 -22 5  35 o 46.25967 4.810717 111.1381       21.46526 121.7446       29.83692 99.75928       30.90411 47.28292 6.628615 41.92795 7.817719 5.354969       10.24965 
1 1 1 -22 5  36 o 44.86721 5.945805 108.0339       25.47019 94.75420       30.49029 138.7000       46.33367 40.62858 7.951776 47.12038 10.33109 -6.491798      13.03695 
1 1 1 -22 5  37 o 18.74185 7.706022 11.55865       22.71640 -1.762282      26.85673 45.05000       42.58456 17.48981 7.784852 27.75451 10.83829 -10.26470      13.34438 
1 1 1 -22 5  38 o 28.05002 7.554464 45.68032       21.20178 37.60707       29.90928 53.83459       30.05898 25.51722 9.269633 29.53471 9.309219 -4.017490      13.13726 
1 1 1 -22 5  39 o 20.83105 7.739321 22.14654       21.03903 62.18471       30.19970 -15.61070      29.32687 31.61028 9.204134 16.29737 7.582808 15.31291       11.92540 
1 1 1 -22 5  40 o 35.57694 6.844196 71.60883       22.96881 65.27849       33.04419 77.52654       31.94909 31.82991 9.716544 35.20581 9.178520 -3.375896      13.36624 
1 1 1 -22 5  41 o 26.69186 8.263675 43.18819       23.79766 67.99906       33.99082 19.33424       33.32888 32.17311 9.861161 21.88138 9.192246 10.29173       13.48109 
1 1 1 -22 5  42 o 41.82270 7.717339 102.9204       30.42903 107.0715       37.34475 94.72000       52.48898 40.88401 9.511593 34.84671 12.32445 6.037296       15.56800 
1 1 1 -22 5  43 o 57.80362 5.009243 178.0108       28.06270 202.7957       41.32156 156.7942       38.23161 59.18872 7.285909 51.38215 7.850290 7.806564       10.71035 
1 1 1 -22 5  44 o 16.97201 7.672251 -2.529022      27.21901 23.26000       46.92391 -15.60685      33.41524 23.57087 10.40083 16.99101 7.967023 6.579863       13.10156 
1 1 1 -22 5  45 o 12.45595 6.083724 -36.00131      24.41990 -32.55946      35.92536 -38.95750      33.29441 16.08603 7.741674 14.91115 7.242443 1.174871       10.60125 
1 1 1 -22 5  46 f 17.41093 7.637434 4.624111       24.95878 10.25471       37.09600 -0.3289437E-01 33.73675 20.60208 9.160970 18.71137 8.491642 1.890709       12.49125 
1 1 1 -22 5  47 f 16.42385 7.410483 -2.071178      25.25396 -15.80729      37.63688 9.177781       34.05947 17.81146 8.384201 19.91664 8.821305 -2.105185      12.17006 
1 1 1 -22 5  48 o 14.84075 7.060775 -21.84690      28.07682 -19.35210      36.22596 -25.60000      44.43211 17.15883 8.121769 18.32478 8.763547 -1.165949      11.94834 
1 1 1 -22 5  49 o 25.76430 9.295287 44.06219       30.00857 41.04000       56.38853 45.25628       35.44455 25.66611 11.35994 25.85208 9.944476 -0.1859760     15.09771 
1 1 1 -22 5  50 o 32.49252 8.562298 68.24191       27.60958 78.00496       42.05689 60.84767       36.60088 31.74962 11.04692 28.92603 10.28552 2.823593       15.09392 
1 1 1 -22 5  51 o 23.36050 9.172796 34.27607       30.64322 113.4000       58.09575 3.777469       36.06870 34.61526 12.86061 19.25777 8.755563 15.35749       15.55812 
1 1 1 -22 5  52 o 47.64956 6.298271 130.8731       28.65692 189.4364       42.23064 80.89094       39.01420 54.90993 8.100214 32.14123 10.64661 22.76870       13.37773 
1 1 1 -22 5  53 o 26.06986 10.36948 52.39583       39.62380 52.39583       39.62380 0.000000       0.000000 26.06986 10.36948 ?        ?        ?              ?        
1 1 1 -22 6  1  o 92.65911 4.167372 423.7700       37.70021 454.0000       58.74422 402.6000       49.15934 95.40057 6.326572 90.00055 5.608130 5.400017       8.454386 
1 1 1 -22 6  2  o 181.5400 3.892493 1622.141       69.16817 1579.263       97.78419 1665.079       97.85297 178.4985 5.603588 183.3473 5.458548 -4.848801      7.822783 
1 1 1 -22 6  3  o 115.1459 3.039320 651.6139       34.22559 633.9095       49.32577 668.0519       47.52883 113.2972 4.456526 116.3751 4.179234 -3.077873      6.109552 
1 1 1 -22 6  4  o 61.16321 2.948868 184.1207       17.60234 150.3613       25.83492 213.3715       24.04797 54.97237 4.850996 65.74535 3.752446 -10.77298      6.132945 
1 1 1 -22 6  5  f 39.31755 4.340215 77.11776       16.42570 97.14967       21.90234 51.37000       24.83128 44.02964 5.181113 31.41213 8.042322 12.61751       9.566759 
1 1 1 -22 6  6  o 77.95586 2.918608 298.8485       22.23121 278.0302       32.41541 317.3362       30.54707 74.94893 4.438425 80.18626 3.903645 -5.237328      5.910842 
1 1 1 -22 6  7  o 123.8668 3.177956 754.5081       38.49905 734.9225       55.19493 773.0654       53.72651 121.9197 4.633512 125.1111 4.394014 -3.191399      6.385671 
1 1 1 -22 6  8  o 76.64541 2.923533 288.9605       21.89291 265.5037       31.28301 311.4765       30.64922 73.22926 4.384408 79.41776 3.955162 -6.188499      5.904773 
1 1 1 -22 6  9  o 48.79089 3.254776 117.5579       15.45523 91.84381       21.75727 143.7490       21.95811 42.74161 5.315018 53.82916 4.200696 -11.08755      6.774604 
1 1 1 -22 6  10 o 66.71371 2.976691 219.1302       19.38920 225.8314       28.01762 212.9713       26.85995 67.52007 4.261012 65.57180 4.207065 1.948273       5.987956 
1 1 1 -22 6  11 o 111.0329 3.062597 606.5236       33.25315 584.6366       47.11366 628.2503       46.94094 108.6978 4.437453 112.7329 4.261650 -4.035034      6.152451 
1 1 1 -22 6  12 o 29.70901 4.730381 44.72724       13.29513 38.26559       18.99396 50.93432       18.61605 27.12431 7.079719 31.41998 6.272873 -4.295675      9.458930 
1 1 1 -22 6  13 o 68.95097 2.987469 234.2177       20.11492 225.5296       28.81396 242.4767       28.09331 67.39931 4.391497 69.95373 4.121109 -2.554413      6.022357 
1 1 1 -22 6  14 o 30.53465 4.649020 47.20147       13.45710 40.27959       18.58283 54.83420       19.51371 27.78180 6.871987 32.57497 6.348215 -4.793169      9.355428 
1 1 1 -22 6  15 o 17.29486 6.006689 13.53324       12.43161 22.95718       16.25478 0.2535673      19.29561 21.51270 6.853711 16.13885 6.895661 5.373852       9.722320 
1 1 1 -22 6  16 o 16.22897 6.159243 9.583679       13.47807 23.86791       16.35583 -20.64000      23.79129 21.83100 6.865016 14.63477 6.816144 7.196229       9.674103 
1 1 1 -22 6  17 o 50.66129 4.444379 128.2445       21.81606 64.59000       44.20665 148.7383       25.08328 34.95122 11.31890 54.51194 4.748294 -19.56072      12.27452 
1 1 1 -22 6  18 f 15.66548 5.983485 8.727909       12.77088 3.700353       16.62318 15.96924       19.95009 15.77659 6.549338 20.06176 7.519829 -4.285175      9.972043 
1 1 1 -22 6  19 o 88.87260 3.782576 391.5219       32.82974 322.4000       62.02982 418.4178       38.69326 78.80171 8.159836 91.70385 4.322806 -12.90214      9.234153 
1 1 1 -22 6  20 o 37.17204 4.380390 69.60930       15.63238 74.65820       20.90093 63.19917       23.55053 38.13477 5.780334 34.61310 7.186486 3.521675       9.222681 
1 1 1 -22 6  21 o 24.12010 6.840513 30.50254       16.89105 42.31981       18.94683 -15.26000      37.28492 28.26161 6.908211 19.79292 8.960349 8.468691       11.31421 
1 1 1 -22 6  22 o 82.08711 3.683253 334.7586       29.51924 358.9769       35.71014 282.5000       52.45636 84.77747 4.317550 73.75417 7.364527 11.02330       8.536832 
1 1 1 -22 6  23 o 20.58974 6.363303 21.68345       14.11805 21.65495       18.14960 21.72712       22.46579 21.17454 7.262058 22.01926 8.028582 -0.8447285     10.82569 
1 1 1 -22 6  24 o 78.74432 3.201332 307.2965       24.62350 292.5820       34.12374 323.2819       35.56685 76.33256 4.588282 80.26868 4.545394 -3.936119      6.458555 
1 1 1 -22 6  25 o 54.04884 3.957143 146.2637       20.78998 103.5000       29.65287 187.6072       29.15636 44.27909 7.080057 60.88881 4.934279 -16.60972      8.629850 
1 1 1 -22 6  26 o 64.36086 3.770244 206.8664       23.64783 214.4000       36.00700 201.1522       31.35891 64.68990 5.746215 62.92929 5.135605 1.760616       7.706713 
1 1 1 -22 6  27 o 18.17910 6.864809 13.32582       16.69350 26.28000       23.27208 -0.4047167     23.95928 23.21343 8.206710 17.44718 7.570724 5.766253       11.16539 
1 1 1 -22 6  28 o 61.53049 3.681455 189.2469       22.07118 166.8056       30.13462 215.2161       32.41692 57.03547 5.464530 65.00745 5.136216 -7.971977      7.499454 
1 1 1 -22 6  29 o 70.53520 4.539129 251.5129       31.17260 156.6000       60.63592 285.6092       36.34300 50.55002 12.35965 74.94136 4.982721 -24.39134      13.32623 
1 1 1 -22 6  30 o 59.34233 3.903580 176.9515       22.54838 154.6817       30.85306 202.4827       33.03511 54.57594 5.867571 62.75783 5.431167 -8.181889      7.995371 
1 1 1 -22 6  31 o 101.8273 4.465188 524.9227       44.39694 557.7000       62.16480 490.8000       63.42776 103.4258 6.168607 96.41135 6.764090 7.014442       9.154487 
1 1 1 -22 6  32 o 25.30573 9.564976 31.86021       32.42599 65.51000       51.13862 9.234000       41.93375 32.89628 12.09387 23.12746 10.02572 9.768822       15.70913 
1 1 1 -22 6  33 f 16.84390 7.432778 -1.928025      23.96618 3.692000       50.52771 -3.559432      27.22335 23.83357 10.63871 17.61063 7.838269 6.222942       13.21441 
1 1 1 -22 6  34 o 38.25612 9.309716 87.66892       34.52605 101.0000       52.53001 77.53000       45.81112 38.47218 12.32766 34.45011 11.53998 4.022072       16.88616 
1 1 1 -22 6  35 o 45.75672 4.947311 109.1405       21.80603 119.3683       30.05779 97.77670       31.68312 46.70023 6.772964 41.25364 8.135415 5.446594       10.58575 
1 1 1 -22 6  36 o 16.24361 6.983452 2.993966       20.01721 4.312772       26.45747 1.228462       30.61202 18.38157 7.965999 18.97459 8.385460 -0.5930195     11.56603 
1 1 1 -22 6  37 o 25.31025 8.227151 37.13465       23.34254 30.56688       28.13207 51.65000       41.82219 23.83734 8.930797 28.86107 10.87292 -5.023729      14.07052 
1 1 1 -22 6  38 o 30.34371 8.195747 54.76032       24.91085 44.33273       30.22612 76.84000       43.98319 27.09379 9.368477 33.56879 11.30796 -6.475000      14.68462 
1 1 1 -22 6  39 o 47.08431 5.289423 117.7838       23.95649 101.8112       34.03302 133.4716       33.72822 41.10080 8.729342 48.51264 7.331337 -7.411842      11.39956 
1 1 1 -22 6  40 f 36.20568 6.733917 73.86251       22.98631 94.51279       32.76785 53.85560       32.25335 39.40533 8.725864 29.04185 9.682078 10.36348       13.03393 
1 1 1 -22 6  41 o 15.55584 7.208180 -12.49330      26.08718 -7.649052      32.30089 -21.58000      44.23890 17.85950 8.182857 19.13899 9.033793 -1.279490      12.18887 
1 1 1 -22 6  42 o 16.02683 7.157397 -1.611114      22.89859 -20.40035      32.87939 16.08582       31.90937 16.53036 7.798106 20.96236 8.909133 -4.431993      11.83989 
1 1 1 -22 6  43 o 27.87180 8.892317 49.81119       27.35494 23.88000       45.59481 64.39424       34.19230 23.62356 10.34376 30.71815 9.955145 -7.094587      14.35612 
1 1 1 -22 6  44 o 29.58696 8.848908 56.62614       27.60582 93.03000       46.53271 36.85529       34.29236 34.67990 11.63069 24.57640 9.687340 10.10350       15.13663 
1 1 1 -22 6  45 o 17.10859 7.519934 3.412023       24.30759 12.04701       35.22606 -4.437106      33.58489 20.65024 9.065411 18.23698 8.351353 2.413261       12.32586 
1 1 1 -22 6  46 o 20.16401 8.140656 19.46588       24.80076 -11.73738      36.39483 46.51630       33.88649 17.97141 8.390179 26.38674 9.818501 -8.415327      12.91503 
1 1 1 -22 6  47 o 23.42550 8.998044 33.06554       28.98989 32.82377       37.59858 33.42000       45.52499 23.85661 9.871811 24.44995 10.52179 -0.5933437     14.42778 
1 1 1 -22 6  48 o 16.42073 7.601353 -9.339792      28.90269 -38.76000      55.98995 1.347978       33.74666 19.39697 9.414425 18.81490 8.520400 0.5820675      12.69758 
1 1 1 -22 6  49 o 36.48902 7.676168 81.19383       26.54643 60.76863       37.92734 100.8102       37.16880 28.78176 10.44091 38.22897 9.866516 -9.447201      14.36526 
1 1 1 -22 6  50 o 41.78865 7.124803 103.1910       28.09888 160.3768       41.69211 55.59791       38.03486 50.13133 8.818284 27.68240 10.38167 22.44893       13.62135 
1 1 1 -22 6  51 o 22.66460 9.046385 31.06832       30.26058 28.16000       56.88948 32.21588       35.73541 23.93994 10.92739 23.15640 9.606872 0.7835388      14.54990 
1 1 1 -22 6  52 o 19.15535 8.472523 10.87883       31.31493 47.21000       56.56334 -5.178255      37.60354 25.34024 11.28728 18.32487 8.546302 7.015377       14.15775 
1 1 1 -22 6  53 o 32.66897 9.724058 78.55453       33.39798 136.0007       40.67165 -40.38000      58.52147 43.84905 9.730321 18.84790 9.249772 25.00115       13.42525 
1 1 1 -22 7  1  f 85.83604 2.821738 362.1213       23.67565 357.2709       35.60326 365.9666       31.70041 85.02279 4.291955 86.14922 3.768420 -1.126434      5.711555 
1 1 1 -22 7  2  o 58.74797 3.956808 170.7220       22.62057 128.9000       31.94163 212.8000       32.03923 50.47241 6.625230 65.42073 5.042224 -14.94832      8.325725 
1 1 1 -22 7  3  o 102.1698 4.029705 515.0000       40.22067 487.4000       56.88062 542.6000       56.88062 98.93564 5.900417 104.4979 5.581217 -5.562233      8.121879 
1 1 1 -22 7  4  f 64.96101 2.966285 207.6958       18.81154 206.7231       29.05080 208.3982       24.68602 64.54929 4.628634 64.93846 3.901670 -0.3891678     6.053700 
1 1 1 -22 7  5  o 87.79700 3.378990 379.5891       28.98420 416.9781       38.11159 328.3000       44.63725 91.86506 4.249902 81.17919 5.652860 10.68587       7.072234 
1 1 1 -22 7  6  o 155.4860 3.557887 1189.523       54.14889 1171.500       77.70859 1206.534       75.49554 153.7662 5.170351 156.1317 4.946208 -2.365448      7.155242 
1 1 1 -22 7  7  o 9.617486 4.564751 -14.23062      11.59584 -15.71825      17.99450 -13.17415      15.16430 12.81203 5.953879 11.78802 5.473782 1.024011       8.087705 
1 1 1 -22 7  8  o 43.24535 3.518326 92.62802       14.76443 88.76893       21.90420 95.84123       19.98731 41.97386 5.460746 43.78739 4.738788 -1.813526      7.230205 
1 1 1 -22 7  9  o 96.72100 2.964993 460.1289       28.03739 431.3195       40.17032 487.4948       39.15103 93.35829 4.408336 99.35106 4.034305 -5.992767      5.975704 
1 1 1 -22 7  10 o 159.6809 3.614983 1255.791       56.50220 1192.259       79.07347 1322.071       80.76577 154.9780 5.220051 163.2746 5.059725 -8.296585      7.269783 
1 1 1 -22 7  11 o 81.03200 2.899239 323.1370       22.95864 323.2631       33.51676 323.0255       31.51268 80.79273 4.253201 80.81859 3.995919 -0.2585602E-01 5.835845 
1 1 1 -22 7  12 o 70.00080 2.984159 241.3886       20.40016 238.1057       30.03096 244.2016       27.79855 69.24625 4.454268 70.21489 4.062045 -0.9686356     6.028326 
1 1 1 -22 7  13 f 28.57863 4.917691 41.62022       13.26046 39.64426       18.93116 43.52356       18.58002 27.55953 7.004186 28.90009 6.699008 -1.340553      9.692024 
1 1 1 -22 7  14 o 86.63535 3.435016 370.5054       29.07157 350.2157       36.21049 407.3000       48.76288 83.98929 4.420138 90.23620 5.547622 -6.246910      7.093217 
1 1 1 -22 7  15 o 39.05527 5.293032 77.27625       19.71407 55.13000       43.07812 83.14302       22.17207 32.99089 11.19073 40.41322 5.768518 -7.422337      12.59000 
1 1 1 -22 7  16 o 63.45910 3.134382 198.8682       19.40913 214.5022       27.74981 183.8950       27.15711 65.64891 4.342844 60.69875 4.605222 4.950157       6.329957 
1 1 1 -22 7  17 o 71.82130 3.042301 254.5810       21.33914 249.9637       30.18816 259.1922       30.16805 70.85078 4.374301 72.17493 4.289613 -1.324150      6.126606 
1 1 1 -22 7  18 o 59.40682 3.247641 174.6095       18.81289 168.7075       25.85997 181.2448       27.41934 58.07906 4.586048 60.18133 4.691720 -2.102268      6.560798 
1 1 1 -22 7  19 o 33.50447 4.696749 56.94617       14.98056 50.90516       19.71006 65.20919       23.05168 31.14102 6.667310 35.26763 6.924861 -4.126610      9.612842 
1 1 1 -22 7  20 o 57.93819 4.010976 167.3647       22.60644 146.2664       26.18597 229.1000       44.79313 53.85711 5.025295 66.70068 6.963247 -12.84357      8.587223 
1 1 1 -22 7  21 o 24.38479 6.813398 31.29522       16.88761 30.73068       18.96220 33.46000       37.13190 24.28149 7.350019 27.33578 10.25644 -3.054296      12.61814 
1 1 1 -22 7  22 o 45.70621 3.856347 104.4532       17.09191 94.98106       22.65795 116.9600       26.03577 43.09596 5.496174 47.82556 5.671963 -4.729599      7.898043 
1 1 1 -22 7  23 o 48.44481 3.752303 117.2227       17.65448 95.98170       23.48498 144.8233       26.77089 43.22473 5.688703 53.41937 5.184995 -10.19464      7.697111 
1 1 1 -22 7  24 o 23.24075 6.661860 28.47116       15.93622 20.59000       21.32174 38.44617       23.98747 21.41685 7.819552 26.86564 8.292992 -5.448788      11.39821 
1 1 1 -22 7  25 o 79.04066 3.501321 310.7396       27.02151 247.4000       39.37397 367.1296       37.15120 69.50396 5.841537 85.51218 4.453876 -16.00822      7.345786 
1 1 1 -22 7  26 o 25.00734 6.695045 33.42431       16.71288 14.80000       22.42090 56.71298       25.07179 20.11498 7.861620 32.19414 7.993110 -12.07916      11.21137 
1 1 1 -22 7  27 o 92.67723 3.998590 429.7220       36.18787 463.9000       74.05930 419.0021       41.47660 93.15155 8.206191 91.15530 4.664027 1.996246       9.438999 
1 1 1 -22 7  28 o 43.37083 4.642217 95.74051       19.40121 60.86736       25.98915 139.6375       29.15842 33.21231 8.074004 51.94151 5.835974 -18.72920      9.962336 
1 1 1 -22 7  29 o 34.57151 5.753708 62.67388       18.78626 13.45111       25.12020 125.1399       28.29841 20.36671 8.203375 48.98844 6.028489 -28.62173      10.18028 
1 1 1 -22 7  30 o 79.22955 3.828770 314.8214       29.60500 356.8000       46.99221 287.1956       38.12146 83.07938 5.815375 74.88368 5.233821 8.195702       7.823777 
1 1 1 -22 7  31 o 26.49310 7.068612 38.56553       18.66948 47.07430       25.19607 28.20645       27.80096 28.88190 8.406399 23.99047 8.899643 4.891438       12.24219 
1 1 1 -22 7  32 o 21.63295 7.627302 23.72372       20.09134 67.76000       29.17710 -15.98616      27.70678 34.26807 8.687971 16.14345 7.462236 18.12463       11.45276 
1 1 1 -22 7  33 o 16.64276 7.799271 -22.61296      31.94522 -33.12000      51.23414 -15.93000      40.86050 20.51201 9.693917 19.71311 9.094412 0.7988987      13.29212 
1 1 1 -22 7  34 o 34.00221 7.979718 66.56426       26.09911 87.96000       54.19843 60.10503       29.77922 35.72737 12.53300 31.65788 9.116714 4.069492       15.49808 
1 1 1 -22 7  35 o 35.52185 8.036880 73.02593       27.28884 25.35000       53.13652 90.10463       31.80320 26.10881 11.30202 39.20265 8.530928 -13.09384      14.16024 
1 1 1 -22 7  36 f 101.0786 4.747310 528.5552       46.83795 513.8000       63.06948 546.7000       69.93971 97.14802 6.673060 99.34105 7.242402 -2.193031      9.847950 
1 1 1 -22 7  37 o 26.70036 7.770739 41.53888       21.53054 50.90054       28.54388 29.18162       32.79424 28.89810 9.066485 23.98381 9.467297 4.914288       13.10843 
1 1 1 -22 7  38 o 25.45352 8.471068 38.02533       24.69172 19.42588       29.90928 77.83000       43.75453 21.65254 8.865792 33.73772 11.27759 -12.08518      14.34526 
1 1 1 -22 7  39 o 20.70366 8.236025 19.38650       24.99930 34.42184       29.96119 -15.07000      45.35635 24.57903 9.214927 20.09013 9.375040 4.488899       13.14558 
1 1 1 -22 7  40 o 23.48516 8.636328 31.23079       26.08100 48.21751       32.36805 -0.2129000     44.03811 27.62154 9.685763 21.17245 9.644929 6.449089       13.66889 
1 1 1 -22 7  41 o 52.98596 5.053124 148.8660       25.89058 139.5902       37.81415 157.0516       35.52280 48.38250 8.282360 52.59450 7.079829 -4.212002      10.89594 
1 1 1 -22 7  42 o 16.42870 7.449897 -4.619572      25.90526 5.299000       42.98043 -10.27846      32.46472 21.26917 9.625347 17.44885 8.069860 3.820324       12.56065 
1 1 1 -22 7  43 f 12.66606 6.201752 -39.55756      25.84787 45.34000       43.63117 -85.46455      32.08401 26.46547 10.75641 11.85718 5.975318 14.60828       12.30467 
1 1 1 -22 7  44 o 24.01433 8.423220 35.30497       24.48077 49.88582       35.57393 22.18807       33.74084 27.15684 10.06851 21.93408 9.233680 5.222754       13.66147 
1 1 1 -22 7  45 o 22.39179 8.365612 28.97369       24.64849 20.80832       36.35438 35.92075       33.53278 22.03478 9.441108 24.35311 9.585541 -2.318335      13.45426 
1 1 1 -22 7  46 o 21.08359 8.630795 21.65684       28.33637 42.73898       36.53525 -10.17000      44.89020 25.60997 10.02785 19.72657 9.244750 5.883396       13.63903 
1 1 1 -22 7  47 o 17.08271 7.779027 -3.494028      28.61389 -19.39000      55.61509 2.228607       33.36930 20.58902 9.834970 18.86385 8.514244 1.725166       13.00842 
1 1 1 -22 7  48 o 24.67168 8.550854 38.48357       25.18667 35.52369       36.71237 41.11544       34.61845 24.19648 9.854649 25.15457 9.786619 -0.9580879     13.88856 
1 1 1 -22 7  49 o 21.89172 8.407970 27.80211       25.31044 18.93427       36.53797 35.98306       35.09439 21.44977 9.327970 24.04491 9.692188 -2.595148      13.45175 
1 1 1 -22 7  50 o 19.00262 8.051394 13.70119       25.92498 18.50614       37.97173 9.505751       35.48172 21.49235 9.424272 19.96915 8.914321 1.523199       12.97236 
1 1 1 -22 7  51 o 15.50334 7.174177 -8.105669      25.71213 -37.09216      37.13752 18.58122       35.63396 15.67264 7.620714 21.00165 9.171175 -5.329010      11.92417 
1 1 1 -22 7  52 o 26.52834 10.40849 54.48581       39.42887 54.69000       56.35442 54.29000       55.18565 25.98966 11.43585 25.95964 11.37286 0.3002357E-01  16.12825 
1 1 1 -22 7  53 o 19.33294 9.176017 -6.566000      46.85758 0.000000       0.000000 -6.566000      46.85758 ?        ?        19.33294 9.176017 ?              ?        
1 1 1 -22 8  1  o 128.9567 4.564663 822.0779       57.52724 959.0000       91.38366 732.2000       74.03862 138.4898 6.761753 121.1562 6.264464 17.33363       9.217636 
1 1 1 -22 8  2  o 68.79630 2.832242 232.8155       19.03146 267.9857       30.40975 210.1714       24.40067 73.59780 4.239192 65.21645 3.839406 8.381348       5.719423 
1 1 1 -22 8  3  o 57.35105 2.988329 162.0233       16.71765 152.5818       26.26626 168.4523       21.67457 55.34277 4.899324 58.36420 3.814914 -3.021427      6.209424 
1 1 1 -22 8  4  o 66.56805 2.918167 218.0853       18.96818 199.3830       28.77622 232.4548       25.22360 63.36187 4.672677 68.60569 3.770630 -5.243824      6.004295 
1 1 1 -22 8  5  o 26.43756 5.110271 35.74087       12.74576 36.56674       20.25710 35.19965       16.39865 26.62919 7.470095 26.07476 6.458896 0.5544262      9.875204 
1 1 1 -22 8  6  o 88.83794 2.903430 388.1181       25.21346 385.1055       37.74717 390.5451       33.87992 88.22141 4.384979 88.94432 3.900996 -0.7229156     5.869055 
1 1 1 -22 8  7  o 47.70116 3.301856 112.4469       15.32163 101.8976       23.64438 120.0831       20.11669 45.00175 5.480648 49.15631 4.221763 -4.154556      6.918149 
1 1 1 -22 8  8  o 63.56526 3.006035 199.0390       18.65039 175.9434       27.63503 218.3569       25.27408 59.44781 4.789685 66.44231 3.903389 -6.994503      6.178796 
1 1 1 -22 8  9  o 73.67626 2.942715 267.2235       21.17909 271.6299       32.11210 263.8311       28.17595 74.00600 4.453586 73.03429 3.956123 0.9717102      5.956957 
1 1 1 -22 8  10 o 30.32748 4.616847 46.51117       13.27339 22.25565       19.69185 66.70818       17.96904 21.93193 7.562720 36.31309 5.203951 -14.38115      9.180187 
1 1 1 -22 8  11 o 85.34602 2.914219 358.5333       24.30939 361.3947       36.16197 356.1740       32.83559 85.39104 4.340708 84.85889 3.964087 0.5321503      5.878412 
1 1 1 -22 8  12 o 78.86700 2.935888 306.3307       22.62467 297.9606       33.09004 313.6788       31.00397 77.48322 4.380828 79.59924 3.992000 -2.116020      5.926864 
1 1 1 -22 8  13 o 61.80299 3.528821 188.9372       21.25869 190.8224       27.06361 185.9000       34.35187 61.90897 4.496729 60.74535 5.849630 1.163616       7.378262 
1 1 1 -22 8  14 o 21.99728 6.948868 24.18570       16.73987 20.83000       40.80903 24.86457       18.35521 26.15109 10.48262 22.45441 7.295253 3.696680       12.77130 
1 1 1 -22 8  15 o 62.29406 3.155087 191.6676       19.17554 209.5275       27.92952 175.7418       26.37391 64.86099 4.425714 59.33957 4.576036 5.521420       6.366086 
1 1 1 -22 8  16 o 11.68773 5.259159 -5.921668      12.62058 -12.87912      16.96750 2.694431       18.88200 12.68152 5.854036 16.44940 6.915110 -3.767873      9.060269 
1 1 1 -22 8  17 o 30.02545 4.995112 46.08013       14.16494 44.75302       19.02489 47.73095       21.21868 29.18217 6.788710 30.05919 7.288002 -0.8770161     9.959998 
1 1 1 -22 8  18 o 76.82030 3.106689 291.5128       23.31220 292.2352       32.92864 290.7869       33.00836 76.55823 4.412857 76.36054 4.435289 0.1976852      6.256604 
1 1 1 -22 8  19 o 27.08240 6.453354 38.59505       16.86307 44.69022       19.20011 18.03000       35.26755 29.08396 6.856932 24.17296 9.725805 4.910997       11.89995 
1 1 1 -22 8  20 o 83.55973 3.749791 346.8524       30.59162 378.9638       37.83273 286.2000       51.99507 87.08907 4.452889 74.38534 7.232351 12.70374       8.493240 
1 1 1 -22 8  21 o 26.58992 5.754381 37.00901       14.54142 26.50785       18.79671 52.66144       22.94848 22.84976 7.379177 31.34371 7.566633 -8.493952      10.56911 
1 1 1 -22 8  22 o 43.82196 4.082382 96.37708       17.30959 107.1244       23.96842 84.66172       25.02464 45.79686 5.453869 40.25304 6.578309 5.543816       8.545107 
1 1 1 -22 8  23 o 38.73542 4.674503 76.16898       17.36557 59.88000       24.24756 93.32147       24.88198 33.35308 7.597528 42.41518 6.174293 -9.062103      9.790011 
1 1 1 -22 8  24 o 59.64650 3.790732 177.6743       22.01716 181.7000       32.49905 174.2592       29.93294 59.61432 5.636397 58.52316 5.282149 1.091164       7.724641 
1 1 1 -22 8  25 o 54.80042 5.594459 153.9142       29.58825 0.000000       0.000000 153.9142       29.58825 ?        ?        54.80042 5.594459 ?              ?        
1 1 1 -22 8  26 o 50.54638 3.991986 128.2976       19.59059 117.9589       26.43008 140.9038       29.18486 47.80090 5.765083 52.27933 5.800754 -4.478432      8.178321 
1 1 1 -22 8  27 o 98.88084 3.288115 485.8646       31.78051 462.8804       44.33894 510.1485       45.57542 95.73026 4.746641 100.5771 4.641927 -4.846809      6.639133 
1 1 1 -22 8  28 o 15.09870 6.355788 2.871083       15.98470 -5.777726      20.41096 16.58873       25.70544 15.15204 6.762714 21.20579 8.378371 -6.053746      10.76714 
1 1 1 -22 8  29 o 27.52658 6.568351 40.88339       17.45021 33.76809       22.84038 50.86014       27.04588 25.11988 8.136102 30.12449 8.692266 -5.004606      11.90595 
1 1 1 -22 8  30 o 50.34108 4.373769 128.7192       21.33817 115.9323       29.09402 143.6039       31.39006 46.72935 6.539542 52.23963 6.263577 -5.510281      9.055275 
1 1 1 -22 8  31 o 43.14634 4.938971 96.07915       20.48321 75.07841       27.31485 123.0624       30.96202 36.67504 7.846153 47.87759 6.797633 -11.20256      10.38123 
1 1 1 -22 8  32 o 19.48534 7.245074 17.43195       18.44453 45.63493       24.81902 -17.35872      27.56566 28.25379 8.375864 15.89528 7.380678 12.35851       11.16376 
1 1 1 -22 8  33 o 37.79248 6.204685 77.04275       22.15675 99.11000       33.16043 59.24512       29.78017 41.46501 8.457100 31.54220 9.127036 9.922804       12.44288 
1 1 1 -22 8  34 o 33.78676 9.910279 70.81608       34.89923 119.6000       55.77676 39.43000       44.73871 41.33898 12.62470 27.28744 10.96277 14.05154       16.72021 
1 1 1 -22 8  35 f 19.37622 8.090244 10.99911       25.57804 14.26000       53.53381 10.03448       29.11648 24.82614 11.02411 20.02013 8.509560 4.806011       13.92636 
1 1 1 -22 8  36 o 21.02897 8.444913 18.66020       26.53642 -14.04000      55.58766 28.31181       30.19973 22.32398 10.40456 23.57777 9.149767 -1.253796      13.85544 
1 1 1 -22 8  37 o 13.20368 6.185420 -15.41487      20.06243 -15.15412      27.21654 -15.72516      29.68962 15.74804 7.319637 16.42948 7.639289 -0.6814394     10.57997 
1 1 1 -22 8  38 o 45.26344 6.174821 111.8131       26.64503 140.8740       32.34564 50.46000       46.99805 50.41602 6.721860 28.46844 11.30307 21.94758       13.15077 
1 1 1 -22 8  39 o 26.88180 9.384358 44.56991       30.36408 44.56991       30.36408 0.000000       0.000000 26.88180 9.384358 ?        ?        ?              ?        
1 1 1 -22 8  40 o 16.09953 7.346825 -7.381452      25.69539 -21.32839      31.27635 21.58000       45.06993 16.09786 7.597589 23.75524 10.34489 -7.657373      12.83511 
1 1 1 -22 8  41 o 16.00990 7.252612 -5.044709      24.47615 -4.768000      40.12383 -5.208702      30.88903 19.80790 9.092089 17.73864 8.079523 2.069263       12.16325 
1 1 1 -22 8  42 o 32.79349 8.316828 66.65479       26.73136 84.91000       44.84340 56.59238       33.29324 33.67197 11.41775 29.01338 9.838060 4.658592       15.07158 
1 1 1 -22 8  43 o 12.93123 6.226353 -26.48698      23.30330 -34.27211      33.77521 -19.41401      32.19335 15.40464 7.436888 16.30720 7.699957 -0.9025660     10.70498 
1 1 1 -22 8  44 o 54.54371 5.189942 160.1232       27.37499 174.5852       39.98299 147.3618       37.55878 54.14611 7.766018 49.39559 8.044738 4.750519       11.18163 
1 1 1 -22 8  45 o 31.78262 8.114528 62.91479       25.32800 56.03762       37.22857 68.84092       34.55866 28.21447 10.32765 31.41885 9.991549 -3.204380      14.36981 
1 1 1 -22 8  46 o 32.63660 9.116650 70.35816       30.23936 50.93000       59.40509 77.15302       35.13161 27.07314 11.83159 33.24979 9.991286 -6.176653      15.48588 
1 1 1 -22 8  47 o 30.43414 8.329236 58.85121       25.53019 62.28000       36.89760 55.70194       35.36164 29.41746 10.33928 28.14644 10.09846 1.271019       14.45267 
1 1 1 -22 8  48 o 21.91773 8.348627 27.72787       24.81880 3.405550       36.29304 49.09361       34.01572 19.49036 8.830171 26.73981 9.857820 -7.249454      13.23437 
1 1 1 -22 8  49 o 22.95344 8.559721 32.29969       25.78206 74.54813       38.06545 -3.508581      35.04429 31.65087 10.51743 18.36792 8.455225 13.28294       13.49471 
1 1 1 -22 8  50 o 21.52533 8.453198 26.54353       26.02660 35.61017       38.12427 18.62987       35.61779 23.90115 9.919916 21.13312 9.199774 2.768030       13.52925 
1 1 1 -22 8  51 o 30.36867 9.592833 66.10854       31.90238 36.74312       38.83016 127.1000       55.96103 23.84656 9.963273 36.95052 12.74872 -13.10397      16.18013 
1 1 1 -22 8  52 o 23.74498 8.697010 37.93318       26.40681 81.77686       39.24265 1.651806       35.69823 31.85841 10.68080 18.58228 8.546562 13.27612       13.67930 
1 1 1 -22 9  1  o 67.16604 2.873566 222.0154       18.84830 186.2327       29.29705 247.2850       24.61993 61.15734 4.935958 70.79035 3.564563 -9.633007      6.088497 
1 1 1 -22 9  2  o 97.50232 4.248398 469.9549       40.44853 506.2000       65.30864 447.4000       51.51895 100.4786 6.678251 94.78642 5.577485 5.692169       8.700998 
1 1 1 -22 9  3  o 113.5177 3.509710 634.8276       38.95103 739.7000       79.62726 601.8398       44.65888 121.5131 6.720900 110.3838 4.140635 11.12933       7.894007 
1 1 1 -22 9  4  o 28.52768 4.704278 41.26654       12.67860 25.74658       20.94811 50.23812       15.92701 23.25072 7.803733 31.40581 5.374130 -8.155083      9.475205 
1 1 1 -22 9  5  o 80.82161 2.882032 321.3515       22.76338 295.1292       34.08652 342.4595       30.58237 77.15100 4.533705 83.28847 3.760988 -6.137466      5.890629 
1 1 1 -22 9  6  o 116.3658 3.090106 666.2462       35.16579 615.3652       50.18293 715.3383       49.29288 111.4665 4.609389 120.3148 4.192016 -8.848267      6.230527 
1 1 1 -22 9  7  o 55.71894 3.134653 153.1636       17.02722 139.9352       26.52741 162.4325       22.20523 52.87358 5.192565 57.24796 3.987609 -4.374378      6.547042 
1 1 1 -22 9  8  o 78.97443 3.149833 307.2886       24.30011 349.8000       44.04930 288.6918       29.13435 83.74702 5.402398 76.40486 3.908622 7.342163       6.668075 
1 1 1 -22 9  9  o 50.94270 3.236260 128.2268       16.05390 135.8139       25.01028 122.9100       20.93637 52.11058 4.963142 49.67905 4.349307 2.431522       6.599185 
1 1 1 -22 9  10 o 26.32916 5.300845 35.64531       13.18798 40.05961       21.19006 32.85448       16.84878 27.71896 7.589166 25.15700 6.716439 2.561964       10.13440 
1 1 1 -22 9  11 o 17.21144 6.389964 11.65392       14.33745 3.375391       18.91279 22.84000       21.98458 16.66443 6.957269 22.52288 7.975171 -5.858446      10.58333 
1 1 1 -22 9  12 o 17.51462 7.194525 5.762173       19.77629 -29.82000      39.22455 17.89000       22.89988 19.03438 8.826527 21.39921 8.049110 -2.364832      11.94553 
1 1 1 -22 9  13 o 73.99601 3.020556 269.9832       21.83170 238.5467       31.80790 297.9832       30.01906 69.16660 4.726615 77.54007 3.968364 -8.373466      6.171613 
1 1 1 -22 9  14 o 33.79696 4.450228 57.58274       14.36459 44.59327       20.56960 69.94749       20.06886 29.11553 7.246453 36.99243 5.727414 -7.876902      9.236576 
1 1 1 -22 9  15 o 82.05248 3.608526 333.2034       28.91108 253.0000       56.57099 361.5562       33.63529 69.70099 8.465131 85.36118 4.037020 -15.66019      9.378485 
1 1 1 -22 9  16 o 36.84779 4.268617 68.21983       15.11143 69.36021       21.16416 67.03381       21.58359 36.68460 6.108731 35.97844 6.361450 0.7061653      8.819560 
1 1 1 -22 9  17 o 22.81577 6.131978 27.13519       13.98672 29.32494       18.35792 24.10532       21.59424 23.85419 7.234330 22.66039 7.913733 1.193794       10.72207 
1 1 1 -22 9  18 o 14.17368 6.188855 -2.495898      16.22331 16.39944       18.79366 -57.75000      32.13781 19.81656 7.323477 14.20056 6.945102 5.616003       10.09296 
1 1 1 -22 9  19 o 56.89459 4.170783 161.7649       23.06569 171.7257       27.61858 138.8000       41.93608 58.41299 4.874832 50.93516 8.725000 7.477833       9.994479 
1 1 1 -22 9  20 o 16.93952 6.283390 11.68286       13.85746 -6.610076      17.85189 39.41661       21.98097 14.07796 6.301012 27.21069 7.831521 -13.13272      10.05164 
1 1 1 -22 9  21 o 17.23543 6.379447 12.24280       14.27052 10.78962       18.86627 14.18608       21.81687 18.23533 7.186134 19.94082 7.766060 -1.705490      10.58075 
1 1 1 -22 9  22 o 42.97116 4.364384 93.09869       18.10280 88.88000       26.06356 97.03077       25.16265 41.18512 6.695002 43.29705 6.106733 -2.111931      9.061746 
1 1 1 -22 9  23 o 24.47029 6.588635 31.80175       16.12965 34.70000       22.20876 28.56647       23.46456 25.62827 7.990917 23.96251 8.255767 1.665766       11.48967 
1 1 1 -22 9  24 o 38.08743 4.715832 73.88353       17.20586 53.51324       22.95421 100.0059       25.99383 31.43404 7.554384 43.82732 6.234921 -12.39328      9.795048 
1 1 1 -22 9  25 o 89.46957 4.041314 400.5430       35.30055 442.8000       74.14172 388.1555       40.14259 90.87037 8.431720 87.73959 4.691216 3.130783       9.648907 
1 1 1 -22 9  26 o 89.93114 3.330259 402.0266       29.26466 404.6534       41.26868 399.3694       41.50529 89.52993 4.725927 88.90677 4.787039 0.6231613      6.726822 
1 1 1 -22 9  27 o 50.95021 4.043824 130.6638       20.00183 105.9473       26.52134 163.2658       30.45954 45.00617 6.183576 56.31323 5.600083 -11.30706      8.342514 
1 1 1 -22 9  28 o 16.49582 6.603943 8.179751       16.17537 -2.050336      20.73864 24.06961       25.84643 15.91747 6.972661 22.91762 8.565598 -7.000153      11.04479 
1 1 1 -22 9  29 o 41.42908 4.764700 87.94483       18.97039 53.10857       24.61235 138.9295       29.77537 30.86496 8.060542 51.57512 6.010599 -20.71016      10.05483 
1 1 1 -22 9  30 o 58.20833 3.973166 170.9919       22.50176 199.3923       30.90371 138.9446       32.82798 62.27790 5.114589 51.01507 6.738794 11.26283       8.459927 
1 1 1 -22 9  31 o 19.32529 7.171683 17.01405       18.05640 33.59908       23.29361 -7.955065      28.58118 24.80689 8.226892 17.46079 7.880473 7.346098       11.39226 
1 1 1 -22 9  32 o 30.60384 6.578079 51.36739       19.11844 40.77664       25.24107 65.62045       29.28182 26.76406 8.542150 33.47123 8.816636 -6.707172      12.27605 
1 1 1 -22 9  33 f 12.79608 5.976613 -14.40312      18.50030 -10.57506      24.69053 -19.30358      27.93572 15.67284 7.170926 15.66413 7.325350 0.8710861E-02  10.25100 
1 1 1 -22 9  34 o 21.76434 7.898847 24.43819       21.71048 46.54000       32.82791 7.256732       28.94405 27.96351 9.757957 19.55817 8.402797 8.405338       12.87729 
1 1 1 -22 9  35 o 21.04025 8.949347 12.49416       32.24227 -6.933000      53.47602 23.59000       40.41426 22.65022 10.43307 24.12121 10.12705 -1.470991      14.53982 
1 1 1 -22 9  36 f 17.97605 7.848318 2.945710       26.08398 -39.97000      54.46906 15.71574       29.71240 20.14475 9.652425 21.01266 8.742301 -0.8679123     13.02295 
1 1 1 -22 9  37 o 27.66984 8.900552 46.38877       27.36418 -6.927000      54.78017 64.11593       31.58748 22.60788 10.46525 31.98744 9.440615 -9.379564      14.09421 
1 1 1 -22 9  38 o 33.56847 7.951899 66.60809       25.72389 80.70284       31.14089 36.33000       45.64219 36.32659 8.842409 26.13523 10.85118 10.19136       13.99772 
1 1 1 -22 9  39 o 29.70692 8.471053 53.94264       25.83286 47.96856       31.08817 67.27000       46.43354 27.64425 9.503572 30.98774 11.50044 -3.343491      14.91905 
1 1 1 -22 9  40 o 15.83863 7.245633 -8.089584      25.19448 -6.331084      31.37884 -11.28000      42.26582 17.77192 8.113355 19.64423 9.127494 -1.872318      12.21219 
1 1 1 -22 9  41 o 20.35829 8.581261 15.31554       29.20068 -5.900000      39.13921 41.95000       43.85377 19.42566 8.939747 26.22604 10.73657 -6.800386      13.97115 
1 1 1 -22 9  42 o 37.80262 6.910648 82.52222       24.62896 59.09085       35.34822 104.6297       34.33509 29.29457 10.13113 40.75298 8.860590 -11.45841      13.45919 
1 1 1 -22 9  43 o 15.83740 7.149411 -3.171952      23.53970 23.56009       33.98238 -27.83163      32.63860 22.17633 9.296831 15.61515 7.479326 6.561174       11.93195 
1 1 1 -22 9  44 o 18.52875 7.806371 11.65913       24.14674 -0.7594297E-01 34.92673 22.40376       33.42034 19.01082 8.632499 21.93213 9.208663 -2.921305      12.62218 
1 1 1 -22 9  45 o 22.60431 8.891395 29.16583       28.83553 51.76000       60.01818 22.38530       32.87884 27.19047 11.88746 21.73706 9.130693 5.453407       14.98938 
1 1 1 -22 9  46 o 30.93895 8.096262 59.97663       24.79791 80.30303       35.57343 40.76246       34.58648 33.85471 10.02550 25.10571 9.777997 8.749004       14.00428 
1 1 1 -22 9  47 o 38.19199 7.077278 85.83419       25.48321 86.24313       36.63646 85.45089       35.46927 34.99255 10.12269 35.11000 9.897291 -0.1174507     14.15716 
1 1 1 -22 9  48 o 15.11726 6.969212 -8.164393      23.93412 -28.53643      34.53021 10.67352       33.20461 15.87523 7.627246 19.82557 8.748667 -3.950338      11.60664 
1 1 1 -22 9  49 o 40.28482 7.160565 96.26736       27.20084 79.27886       40.19871 110.6153       36.94280 32.27574 10.80998 40.60644 9.469415 -8.330704      14.37099 
1 1 1 -22 9  50 o 25.01350 9.417973 42.39465       31.36822 28.88169       38.61054 68.63000       53.79897 22.82135 9.752728 28.42670 11.78988 -5.605347      15.30088 
1 1 1 -22 9  51 o 50.78183 5.881139 145.9185       28.69338 157.2078       42.35278 136.3409       39.01015 48.27840 9.299677 45.06991 9.155434 3.208485       13.05013 
1 1 1 -22 9  52 o 17.31290 7.862649 1.418850       28.98797 30.77000       52.72225 -11.29884      34.70447 23.28902 10.58729 17.05503 8.035182 6.233984       13.29116 
1 1 1 -22 10 1  o 112.8737 3.468142 627.8411       38.27191 756.4000       79.33997 588.8552       43.69125 122.8210 6.624044 109.1609 4.096306 13.66010       7.788304 
1 1 1 -22 10 2  o 36.44434 5.202692 67.14708       18.03323 21.06000       26.68220 105.9000       24.46720 23.17282 8.694329 45.84470 5.566328 -22.67188      10.32353 
1 1 1 -22 10 3  o 133.2812 3.259652 874.0247       42.52520 844.4741       61.56411 900.9903       58.80981 130.5104 4.827534 134.9390 4.458645 -4.428604      6.571499 
1 1 1 -22 10 4  o 66.63314 3.381046 219.1123       21.97990 219.8000       50.48060 218.9514       24.41585 65.50797 8.041186 66.54289 3.763902 -1.034920      8.878493 
1 1 1 -22 10 5  o 52.29803 3.100917 134.9899       15.80257 136.3405       25.52074 134.1500       20.12479 52.20167 5.057926 51.99298 3.984765 0.2086868      6.439019 
1 1 1 -22 10 6  o 27.80104 4.795226 39.33764       12.57771 38.97005       20.57296 39.55703       15.89411 27.36884 7.471566 27.64684 6.042444 -0.2780056     9.609133 
1 1 1 -22 10 7  o 37.72702 3.825364 70.91272       13.93135 79.17042       22.03185 65.41130       17.98287 39.44520 5.886113 35.92633 5.270386 3.518864       7.900842 
1 1 1 -22 10 8  o 55.74782 3.154497 153.4273       17.14307 122.4643       26.27360 176.3817       22.62205 49.30827 5.539383 59.65654 3.895378 -10.34827      6.771908 
1 1 1 -22 10 9  o 83.27555 2.955648 341.5480       24.05399 317.3975       36.31895 360.4189       32.10453 79.89581 4.664402 85.36288 3.852224 -5.467072      6.049486 
1 1 1 -22 10 10 o 105.7800 4.119716 554.0548       42.57413 552.3000       61.20412 555.7000       59.26073 104.9413 5.983168 105.3540 5.768600 -0.4126129     8.311140 
1 1 1 -22 10 11 o 62.83661 3.657255 195.5090       22.39717 163.3000       48.83457 204.0887       25.20428 55.64287 9.293834 64.12531 4.035961 -8.482445      10.13234 
1 1 1 -22 10 12 o 60.16380 3.128995 178.7632       18.36332 168.8504       28.02638 186.2202       24.30806 58.06372 4.979265 61.21926 4.079824 -3.155537      6.437239 
1 1 1 -22 10 13 o 51.28271 3.445726 130.3357       17.19610 113.4833       25.83008 143.7502       23.04539 47.31073 5.691958 53.65934 4.427003 -6.348606      7.210876 
1 1 1 -22 10 14 o 120.6139 3.211458 717.8201       37.88082 696.0845       54.86473 737.6207       52.36574 118.2024 4.751677 121.8362 4.398229 -3.633842      6.474786 
1 1 1 -22 10 15 o 60.84339 3.210938 183.0900       19.05510 185.9852       28.36924 180.7101       25.72095 60.93755 4.794758 60.17148 4.397430 0.7660713      6.505928 
1 1 1 -22 10 16 o 51.58738 4.120324 132.8177       20.63283 152.6761       25.51917 95.33000       35.06215 55.15760 4.773608 42.17155 8.779810 12.98605       9.993617 
1 1 1 -22 10 17 o 23.86215 6.890162 29.69934       16.98835 27.39224       19.92130 35.85000       32.52717 23.34788 7.601157 27.29808 9.697311 -3.950197      12.32134 
1 1 1 -22 10 18 o 25.60401 6.758223 34.61436       17.18237 48.15244       20.09287 -2.227000      33.14602 30.14463 6.951636 20.27128 8.848861 9.873354       11.25289 
1 1 1 -22 10 19 o 13.78663 5.884953 0.4312869      14.02954 -3.720960      18.75299 5.709269       21.14282 14.99833 6.598290 17.81248 7.389631 -2.814150      9.906770 
1 1 1 -22 10 20 o 33.94546 5.077130 59.02567       16.35227 54.56718       22.62717 63.89984       23.65849 31.93307 7.386151 34.66319 7.208148 -2.730112      10.32050 
1 1 1 -22 10 21 o 44.35213 4.243543 98.95782       18.19813 106.4000       26.52610 92.34064       25.01263 45.36835 6.129994 42.17200 6.248134 3.196342       8.753057 
1 1 1 -22 10 22 o 19.21212 6.725379 17.29813       15.60139 4.754000       21.16531 32.22373       23.08714 17.54511 7.344931 24.96799 8.186318 -7.422876      10.99836 
1 1 1 -22 10 23 o 68.95896 3.416421 236.4956       22.98868 246.4730       32.53319 226.5455       32.48866 69.87549 4.785477 66.88562 4.998560 2.989868       6.920000 
1 1 1 -22 10 24 o 99.39951 3.251599 490.3923       31.59386 448.2494       43.88884 535.7191       45.51653 94.27031 4.771861 103.2360 4.515265 -8.965721      6.569496 
1 1 1 -22 10 25 o 55.14473 4.006122 152.6368       21.47645 115.3000       30.17954 190.9429       30.56877 46.77752 6.789433 61.23564 5.147577 -14.45811      8.520209 
1 1 1 -22 10 26 o 65.13755 3.551068 211.7790       22.55542 180.2262       30.37514 250.5621       33.67599 59.36816 5.282167 70.25345 4.928451 -10.88528      7.224328 
1 1 1 -22 10 27 o 73.11263 3.535919 266.8840       25.22966 255.5703       35.55333 278.3605       35.80830 70.75484 5.169218 73.96730 4.974744 -3.212463      7.174182 
1 1 1 -22 10 28 o 22.28711 7.061934 26.13687       17.27724 24.28045       22.85921 28.61029       26.38594 22.43377 8.110239 24.07018 8.711843 -1.636415      11.90261 
1 1 1 -22 10 29 o 40.61080 4.956338 85.03442       19.29423 77.45527       25.67848 94.86132       29.23931 37.70697 7.220158 41.70569 7.435222 -3.998718      10.36403 
1 1 1 -22 10 30 o 60.02898 4.225252 182.7714       24.66816 196.2000       36.55680 171.5449       33.42524 61.00664 6.208278 57.10038 6.073462 3.906258       8.685025 
1 1 1 -22 10 31 o 12.93231 5.982169 -11.98686      17.85268 1.861874       22.92224 -33.33963      28.46290 17.16518 7.426819 14.51510 6.960931 2.650082       10.17901 
1 1 1 -22 10 32 o 52.23162 4.423771 139.9285       22.40436 142.2211       30.48978 137.2377       33.03175 51.59199 6.159132 50.14371 6.913709 1.448280       9.259280 
1 1 1 -22 10 33 o 13.52281 6.186429 -9.042256      18.36881 -13.20632      24.28888 -3.478664      28.07543 15.15799 6.999656 17.69220 7.911498 -2.534216      10.56347 
1 1 1 -22 10 34 o 14.78273 6.547195 -2.394625      18.76046 8.840948       25.18456 -16.40209      28.12009 18.86803 7.962081 15.98287 7.432642 2.885161       10.89215 
1 1 1 -22 10 35 o 22.08808 7.667419 26.53981       20.25482 44.74091       27.99764 6.553365       29.33867 27.33358 9.017641 19.40234 8.398492 7.931240       12.32285 
1 1 1 -22 10 36 o 36.23537 9.940227 83.79204       36.31211 75.72000       57.88412 89.03000       46.62822 32.49341 12.65121 35.73237 11.62880 -3.238960      17.18377 
1 1 1 -22 10 37 o 29.46711 10.20437 55.61076       35.86618 96.59000       57.42455 29.40000       45.92567 35.67526 12.86010 25.27438 10.71278 10.40088       16.73755 
1 1 1 -22 10 38 o 22.43545 8.789088 25.59714       28.07764 1.653000       57.83096 32.98209       32.11700 23.48032 10.82772 24.36187 9.440778 -0.8815498     14.36551 
1 1 1 -22 10 39 f 27.47550 7.959831 45.37507       22.63792 64.71852       32.54891 27.25107       31.50624 31.56535 9.644947 23.05682 9.221381 8.508537       13.34387 
1 1 1 -22 10 40 o 17.92463 8.020536 -0.2570099     28.90384 32.19000       38.73537 -41.02000      43.41636 24.52388 10.07082 17.41659 8.413991 7.107288       13.12313 
1 1 1 -22 10 41 o 25.81607 8.831986 41.68700       26.84100 22.40944       33.42645 76.68000       45.03548 22.12249 9.243581 32.08620 11.40927 -9.963715      14.68384 
1 1 1 -22 10 42 o 19.68462 8.205239 15.35359       26.24554 -4.147482      33.14797 48.12000       42.96770 18.20204 8.320820 26.84336 10.75760 -8.641319      13.60007 
1 1 1 -22 10 43 o 27.73438 8.233838 48.31867       23.97048 64.04773       35.08078 34.54335       32.82983 30.27133 10.09767 24.01900 9.475148 6.252325       13.84707 
1 1 1 -22 10 44 o 17.45398 7.845862 -0.1593315     28.00860 -19.39000      59.73738 5.259386       31.71008 21.28306 10.17371 19.02325 8.463741 2.259808       13.23402 
1 1 1 -22 10 45 o 40.29185 6.582428 93.02101       25.06478 115.3338       37.28498 74.62309       33.85643 42.03369 9.307902 32.91885 9.788640 9.114845       13.50757 
1 1 1 -22 10 46 o 41.85794 6.444383 99.93223       25.55788 150.5073       37.55856 56.31699       34.87865 49.75404 7.981953 28.30044 10.04289 21.45360       12.82853 
1 1 1 -22 10 47 o 20.06452 8.016932 20.09725       23.79021 -1.248253      34.02610 40.51118       33.27533 18.51696 8.451644 24.98456 9.628941 -6.467600      12.81198 
1 1 1 -22 10 48 o 23.38295 8.409314 34.08638       24.53761 6.841051       35.73003 58.40552       33.75682 19.69991 8.858006 28.65118 9.900838 -8.951271      13.28499 
1 1 1 -22 10 49 o 32.68163 9.340770 72.93272       31.37424 71.78312       38.32101 75.27000       54.64080 30.91165 10.55360 29.63131 12.03942 1.280338       16.01019 
1 1 1 -22 10 50 o 43.25571 6.688453 109.5132       27.40606 130.8772       40.62620 91.67187       37.12593 43.47449 9.783961 35.41094 10.17373 8.063557       14.11491 
1 1 1 -22 10 51 o 21.50107 8.722069 27.19193       28.62433 16.57000       51.44976 31.95364       34.44793 22.02903 10.17784 22.67626 9.422059 -0.6472282     13.86952 
1 1 1 -22 10 52 o 17.94251 7.762643 11.13935       25.03886 6.999153       36.84646 14.69158       34.12995 19.25893 8.792073 19.84360 8.807474 -0.5846691     12.44476 
1 1 1 -22 11 1  o 72.15582 2.857260 256.3377       20.14038 232.2145       31.59949 272.8419       26.13725 68.30414 4.756071 74.31765 3.603780 -6.013512      5.967196 
1 1 1 -22 11 2  o 36.60630 3.700683 66.72879       13.07811 48.57158       22.52656 75.96028       16.06223 30.44551 7.586711 38.97528 4.280644 -8.529770      8.711033 
1 1 1 -22 11 3  o 72.19745 2.880410 256.6675       20.31467 231.1802       31.63369 274.5556       26.50144 68.14371 4.772794 74.54140 3.643201 -6.397697      6.004371 
1 1 1 -22 11 4  o 46.62615 3.267514 107.5439       14.81820 86.72334       24.52769 119.5110       18.59533 41.20896 6.278899 49.05742 3.904712 -7.848457      7.394008 
1 1 1 -22 11 5  o 97.16356 2.927767 464.6996       27.81316 425.8857       41.08382 497.5390       37.78983 92.63689 4.544731 100.3334 3.855066 -7.696548      5.959540 
1 1 1 -22 11 6  f 55.55025 3.067958 152.3040       16.61697 154.0441       27.02319 151.2459       21.07166 55.47956 5.030829 55.20914 3.924846 0.2704201      6.380726 
1 1 1 -22 11 7  o 111.1332 3.054651 608.2607       33.19704 587.6639       48.95495 625.7947       45.16871 108.8000 4.607291 112.4412 4.110909 -3.641144      6.174682 
1 1 1 -22 11 8  o 53.31846 3.323781 140.6063       17.26040 119.1966       27.49104 154.5379       22.17619 48.49992 5.912955 55.76226 4.091421 -7.262344      7.190464 
1 1 1 -22 11 9  o 10.59221 5.041572 -18.05576      14.34500 -15.84859      20.99037 -19.99000      19.64972 14.09974 6.509575 12.94393 6.082037 1.155815       8.908746 
1 1 1 -22 11 10 o 43.35025 3.690313 93.44323       15.51017 97.92979       25.32482 90.75021       19.62047 43.82384 6.066265 42.48435 4.802263 1.339493       7.737009 
1 1 1 -22 11 11 o 46.04867 3.533595 105.2595       15.80553 104.3734       24.72061 105.8722       20.55597 45.35190 5.693929 45.95366 4.633141 -0.6017647     7.340765 
1 1 1 -22 11 12 o 47.00780 3.546488 109.7185       16.19793 90.86948       25.15779 123.0650       21.16965 42.07497 6.302355 49.61644 4.404674 -7.541466      7.689007 
1 1 1 -22 11 13 o 68.09911 3.103285 229.0547       20.63129 193.1316       31.09802 257.2956       27.57308 62.00257 5.171132 71.99121 3.927786 -9.988640      6.493698 
1 1 1 -22 11 14 o 35.54487 4.428251 63.69088       15.07371 57.19299       22.76863 68.76115       20.11250 32.92401 7.260566 36.59497 5.808694 -3.670956      9.298212 
1 1 1 -22 11 15 o 16.32253 6.628246 6.128116       16.55076 1.212579       20.34021 15.76000       28.47250 16.65675 7.097285 22.17068 8.799283 -5.513924      11.30481 
1 1 1 -22 11 16 o 101.6660 3.677343 512.4227       36.53425 515.7189       45.86432 506.7000       60.43281 101.6169 4.623191 99.92290 6.209446 1.694038       7.741519 
1 1 1 -22 11 17 o 19.25694 6.955690 16.30681       16.80956 6.083061       20.01504 40.78000       30.96682 17.52924 7.223071 28.20263 9.488260 -10.67339      11.92476 
1 1 1 -22 11 18 o 77.30219 3.138350 295.7446       23.69712 319.8519       35.24781 275.8615       32.01110 79.92525 4.523961 74.24506 4.424879 5.680199       6.328173 
1 1 1 -22 11 19 o 59.75648 3.443681 177.4281       20.05722 211.3804       29.60723 148.6302       27.26742 64.83916 4.696867 54.13857 5.209790 10.70058       7.014448 
1 1 1 -22 11 20 o 75.76751 3.508036 285.2275       25.94615 303.3000       41.87056 273.9617       33.05839 77.27252 5.573205 73.85804 4.595520 3.414482       7.223532 
1 1 1 -22 11 21 o 31.21818 5.762530 50.86446       16.96015 47.23000       24.29457 54.31955       23.68749 29.49656 8.146072 31.68702 7.711272 -2.190454      11.21705 
1 1 1 -22 11 22 o 72.65770 3.384879 262.3958       24.00688 253.5797       34.44743 270.7213       33.47517 70.78430 5.004055 73.29269 4.690741 -2.508385      6.858835 
1 1 1 -22 11 23 o 90.51735 3.290132 406.8549       29.10236 414.4103       42.14464 399.9685       40.23560 90.64436 4.766773 89.12261 4.628143 1.521744       6.643932 
1 1 1 -22 11 24 o 63.45245 3.550247 200.8159       21.96231 169.6287       29.97901 236.9421       32.26568 57.59398 5.380077 68.40231 4.850541 -10.80834      7.243824 
1 1 1 -22 11 25 o 63.98448 3.595691 204.4208       22.42913 203.8582       31.19351 205.0230       32.27319 63.27990 5.078684 63.37873 5.249303 -0.9882736E-01 7.303986 
1 1 1 -22 11 26 o 109.1101 3.376773 592.6191       36.02053 617.5930       52.18920 569.8997       49.77776 110.4168 4.840565 106.0855 4.806206 4.331215       6.821341 
1 1 1 -22 11 27 o 47.73617 4.286596 115.4037       19.81628 123.7926       27.40114 106.2056       28.69234 48.77211 5.856749 44.68908 6.771188 4.083023       8.952681 
1 1 1 -22 11 28 o 23.96647 6.888595 31.07523       17.01730 14.46695       22.05624 55.50302       26.74923 19.73108 7.771675 31.35381 8.503098 -11.62273      11.51962 
1 1 1 -22 11 29 o 30.07985 6.234362 48.72717       17.75232 28.29465       22.94472 79.19918       28.02027 23.36591 8.157619 37.71979 7.845168 -14.35388      11.31784 
1 1 1 -22 11 30 o 43.40540 4.903646 97.43027       20.46948 108.8516       27.53366 83.31795       30.60588 45.09509 6.418785 38.21035 8.411378 6.884747       10.58074 
1 1 1 -22 11 31 o 44.77055 4.971803 104.1207       21.42080 105.6535       28.81808 102.2282       32.02174 43.97349 6.923976 42.54079 7.983263 1.432697       10.56759 
1 1 1 -22 11 32 o 10.01895 4.951736 -36.90860      17.78965 -58.40430      23.02314 -5.059365      28.02452 10.58664 5.296657 17.47382 7.851990 -6.887178      9.471448 
1 1 1 -22 11 33 o 55.92056 5.540262 165.2052       29.92727 109.3000       57.88840 185.5971       34.96193 38.85949 12.97146 58.79630 6.166543 -19.93681      14.36263 
1 1 1 -22 11 34 o 17.39973 7.141976 9.301638       19.46970 -7.946893      26.09998 30.94195       29.23451 16.38268 7.448239 24.06936 9.085546 -7.686678      11.74834 
1 1 1 -22 11 35 o 30.16817 7.162620 51.98830       20.83323 57.35168       28.24906 45.59291       30.84740 30.68275 8.892575 27.44132 9.465381 3.241426       12.98735 
1 1 1 -22 11 36 o 17.95194 7.575534 8.054461       22.79873 6.122197       27.05312 12.79000       42.35150 18.68818 8.077021 22.66570 9.945445 -3.977528      12.81211 
1 1 1 -22 11 37 o 23.13239 8.971674 28.00451       29.02258 26.59000       59.27375 28.45058       33.28557 26.11360 11.59770 23.68266 9.475994 2.430944       14.97669 
1 1 1 -22 11 38 o 14.79449 7.003081 -21.83041      26.94151 2.517000       58.94620 -28.25953      30.29042 23.63930 10.91196 15.18830 7.255990 8.450998       13.10421 
1 1 1 -22 11 39 o 20.31785 8.685139 12.88635       30.63466 0.000000       0.000000 12.88635       30.63466 ?        ?        20.31785 8.685139 ?              ?        
1 1 1 -22 11 40 o 15.95456 7.039367 0.5939522      21.48928 -3.953302      30.48356 5.086059       30.29815 17.74436 8.060301 18.93705 8.356775 -1.192694      11.61052 
1 1 1 -22 11 41 o 24.02092 8.466066 35.08106       24.75139 46.71393       30.67133 13.36000       41.91116 26.76885 9.425150 21.85787 9.727297 4.910982       13.54451 
1 1 1 -22 11 42 o 32.11699 8.213392 64.30583       25.91937 80.03861       32.47805 36.71000       43.01392 34.82169 9.337683 24.94324 10.45834 9.878454       14.02032 
1 1 1 -22 11 43 o 19.95997 8.805087 9.416142       33.60816 -35.57000      56.49221 34.06000       41.81225 19.81047 9.577132 24.46584 10.28800 -4.655363      14.05576 
1 1 1 -22 11 44 o 39.63188 6.681813 90.47058       24.99972 112.7587       37.49337 72.62946       33.54509 41.32246 9.472467 32.46517 9.764786 8.857292       13.60436 
1 1 1 -22 11 45 o 18.13038 7.660684 11.03346       23.36301 20.65096       34.27808 2.689709       31.92758 21.56610 9.202028 18.61017 8.370254 2.955933       12.43939 
1 1 1 -22 11 46 o 18.27868 7.706798 11.68696       23.56299 18.70379       34.09061 5.268292       32.60521 21.20950 9.115881 19.05719 8.523593 2.152309       12.48002 
1 1 1 -22 11 47 o 30.32783 8.128098 58.16457       24.61716 65.72772       35.49043 51.15180       34.17469 30.20479 10.15764 27.09767 9.898778 3.107124       14.18321 
1 1 1 -22 11 48 o 33.70824 9.033587 75.78920       30.40850 81.04073       37.11160 65.06000       53.04570 33.27485 10.32252 28.30942 11.72104 4.965422       15.61849 
1 1 1 -22 11 49 o 22.27341 8.423065 30.17818       25.15316 51.23038       37.23529 12.50825       34.11327 26.58264 10.20103 20.03527 8.853217 6.547361       13.50705 
1 1 1 -22 11 50 o 17.14647 7.759698 0.7059342      27.93448 34.50000       49.98867 -14.63898      33.68476 23.93524 10.63927 16.67924 7.875826 7.256002       13.23717 
1 1 1 -22 11 51 o 24.63479 8.675193 41.50291       25.98528 50.01722       38.40291 34.31240       35.29142 25.60251 10.20031 22.95568 9.537313 2.646835       13.96448 
1 1 1 -22 12 1  o 94.14350 2.885420 436.3453       26.55783 455.8756       41.61027 422.9206       34.49842 95.84404 4.447489 92.47676 3.819409 3.367279       5.862426 
1 1 1 -22 12 2  o 41.88095 3.639457 87.16502       14.77168 42.66000       28.94377 102.8397       17.17713 28.87917 9.139091 45.46984 3.896951 -16.59067      9.935250 
1 1 1 -22 12 3  o 52.30395 3.115484 135.1467       15.87793 113.8441       26.41222 147.2020       19.86903 47.41442 5.812428 54.48513 3.748408 -7.070705      6.916277 
1 1 1 -22 12 4  o 84.23185 3.451652 350.3539       28.39805 340.7534       36.79349 364.5000       44.66241 82.79420 4.557677 85.38676 5.370951 -2.592560      7.044113 
1 1 1 -22 12 5  o 104.6790 3.026644 539.7900       30.97925 490.7476       45.77031 581.2510       42.08403 99.34098 4.720559 108.3763 3.973862 -9.035309      6.170515 
1 1 1 -22 12 6  o 31.34496 4.470018 49.63319       13.32651 28.18597       23.17601 60.22734       16.28870 24.20316 8.208241 34.47438 4.970479 -10.27121      9.595879 
1 1 1 -22 12 7  o 21.02216 6.648822 22.02271       15.32127 2.067271       21.80580 41.48000       21.53190 17.45177 7.388741 28.11280 7.630923 -10.66103      10.62189 
1 1 1 -22 12 8  o 65.05209 3.524612 209.4213       22.35907 133.4000       48.76071 229.6619       25.16014 49.67265 10.36440 68.07438 3.790896 -18.40173      11.03592 
1 1 1 -22 12 9  f 25.13707 5.569217 32.77518       13.34205 23.75039       22.21245 37.86901       16.68785 22.74878 8.019899 26.91545 6.423753 -4.166668      10.27538 
1 1 1 -22 12 10 o 50.87975 3.354461 128.2559       16.61285 124.1562       26.38746 130.9478       21.38239 49.54004 5.536246 51.21468 4.305177 -1.674637      7.013171 
1 1 1 -22 12 11 o 12.71054 5.494112 -1.142638      12.52009 -10.95478      20.70227 4.515566       15.72083 14.66527 6.654055 15.60849 6.413381 -0.9432135     9.241639 
1 1 1 -22 12 12 o 54.26591 3.331979 145.8796       17.61313 132.5609       27.47130 155.1760       22.95114 51.15779 5.576226 55.77257 4.235818 -4.614784      7.002604 
1 1 1 -22 12 13 o 61.87213 3.206610 189.3862       19.35366 194.7302       30.37882 185.7357       25.10854 62.26289 5.027374 61.02985 4.229292 1.233040       6.569734 
1 1 1 -22 12 14 o 68.91966 3.761259 235.9139       25.27745 232.6464       32.52195 240.9000       40.17390 68.09032 4.912636 68.87560 6.019416 -0.7852783     7.769643 
1 1 1 -22 12 15 o 38.91032 5.196127 77.10618       19.29598 97.17882       24.82833 46.49000       30.66343 43.50521 5.989179 29.66363 9.409052 13.84159       11.15350 
1 1 1 -22 12 16 o 25.28328 7.010488 33.76074       17.95334 34.83034       22.46469 31.87000       29.86793 25.83172 8.034082 25.89344 9.282037 -0.6172562E-01 12.27610 
1 1 1 -22 12 17 f 65.99808 3.250842 215.9095       20.93606 220.8651       31.71406 212.0817       27.87263 66.21677 4.928367 65.06726 4.402238 1.149513       6.608215 
1 1 1 -22 12 18 o 33.70747 4.890791 58.05294       15.66587 68.22505       23.29969 49.66032       21.16378 35.95089 6.871570 30.48295 7.207246 5.467945       9.958055 
1 1 1 -22 12 19 o 34.13107 5.351805 60.03298       17.29218 59.68000       27.02982 60.27753       22.49864 33.08719 8.347706 33.64673 7.057047 -0.5595436     10.93097 
1 1 1 -22 12 20 o 45.19237 4.378184 102.9932       19.12481 98.77000       28.45296 106.4736       25.83003 43.31166 6.946170 45.40811 5.954822 -2.096447      9.149272 
1 1 1 -22 12 21 f 22.19602 6.748360 25.71534       15.96068 31.09656       21.78716 19.48251       23.44783 24.46833 7.947946 21.53636 8.135167 2.931974       11.37325 
1 1 1 -22 12 22 o 20.68896 6.826159 21.52899       16.04297 35.89822       21.58682 3.800992       23.97739 25.89620 7.842931 18.23291 7.734922 7.663286       11.01547 
1 1 1 -22 12 23 o 15.22191 6.316229 4.087979       15.45112 -17.45747      20.66686 31.39263       23.26564 13.54508 6.323295 24.62117 8.223483 -11.07609      10.37351 
1 1 1 -22 12 24 o 57.17149 3.781182 163.6621       21.04107 173.5640       29.47588 153.3738       30.04543 58.30161 5.220303 54.55727 5.710763 3.744347       7.737208 
1 1 1 -22 12 25 o 23.05294 6.962113 28.24228       17.02732 37.09877       22.99781 17.49716       25.33153 26.17582 8.126883 21.32418 8.349856 4.851645       11.65188 
1 1 1 -22 12 26 f 111.0964 4.053226 619.4788       44.00262 552.7000       84.96898 643.9510       51.43730 100.5144 8.722529 112.8167 4.668075 -12.30230      9.893101 
1 1 1 -22 12 27 o 83.72896 3.344777 349.6153       27.35736 302.3510       37.48787 403.4636       40.01386 76.96775 5.003059 89.23038 4.596824 -12.26263      6.794217 
1 1 1 -22 12 28 o 47.29638 4.374284 113.9216       20.02137 106.4223       27.34019 122.5941       29.40099 44.71953 6.430624 48.05692 6.409992 -3.337387      9.079699 
1 1 1 -22 12 29 o 11.36898 5.398595 -18.01121      16.25665 -27.23413      20.72872 -3.274777      26.20199 12.26478 5.896979 17.39847 7.719912 -5.133689      9.714495 
1 1 1 -22 12 30 o 39.99962 5.197756 83.66342       19.86982 87.01180       26.35606 79.25437       30.24372 39.81944 7.018411 37.05224 8.517487 2.767200       11.03656 
1 1 1 -22 12 31 o 32.75679 6.285997 58.51940       19.42216 73.46477       25.58015 38.17581       29.84445 36.09172 7.486551 26.03880 9.284723 10.05292       11.92705 
1 1 1 -22 12 32 o 16.79397 6.897578 8.068153       18.17435 -7.905049      22.99700 34.64039       29.66124 15.43502 7.007197 25.08885 9.212735 -9.653836      11.57477 
1 1 1 -22 12 33 o 42.24939 5.231733 94.22659       21.17387 91.70361       27.94359 97.62839       32.44735 40.32452 7.350300 40.84002 8.397482 -0.5154915     11.15996 
1 1 1 -22 12 34 o 30.49941 7.021233 52.78136       20.52675 82.84518       27.86781 17.12561       30.34908 37.88978 7.774918 21.38984 8.861791 16.49994       11.78901 
1 1 1 -22 12 35 o 15.89062 7.056932 -1.890371      21.94194 -8.409764      25.95481 14.44000       41.07829 16.18985 7.386425 22.68693 9.877964 -6.497076      12.33424 
1 1 1 -22 12 36 o 69.48412 4.306578 248.9244       29.14636 274.1000       44.98238 230.7058       38.26577 70.61570 6.583675 65.30151 6.055592 5.314186       8.945108 
1 1 1 -22 12 37 o 16.70007 7.118772 5.539192       20.47890 -11.69662      27.73744 26.19308       30.36346 16.19508 7.479102 22.80255 9.074845 -6.607468      11.75967 
1 1 1 -22 12 38 o 14.30201 6.933148 -37.43739      30.12632 0.000000       0.000000 -37.43739      30.12632 ?        ?        14.30201 6.933148 ?              ?        
1 1 1 -22 12 39 o 52.07600 6.184406 149.5046       30.90915 152.1000       63.16712 148.6875       35.44212 43.09027 13.48280 50.83424 7.334807 -7.743973      15.34879 
1 1 1 -22 12 40 o 26.01307 8.893838 42.57899       27.21734 162.0000       62.16483 14.25820       30.27311 44.43176 13.27657 20.27786 8.649921 24.15390       15.84577 
1 1 1 -22 12 41 o 41.80345 6.874126 100.5926       27.15097 79.03324       33.53716 141.6000       46.25291 34.38376 9.599516 45.28381 10.61996 -10.90005      14.31552 
1 1 1 -22 12 42 o 26.30878 9.915902 46.13398       34.79277 105.7000       61.51826 18.12000       42.18831 34.15868 13.11105 22.29746 9.849475 11.86122       16.39853 
1 1 1 -22 12 43 o 16.99226 7.590244 0.5719792      25.76717 -10.12691      32.49972 18.68000       42.28104 17.29029 8.023482 22.40047 9.879109 -5.110184      12.72686 
1 1 1 -22 12 44 o 17.07416 7.646531 0.5678015      26.33173 4.937922       33.00615 -7.083000      43.67186 19.13623 8.566157 19.73148 9.204900 -0.5952473     12.57415 
1 1 1 -22 12 45 o 19.92680 7.961543 19.67459       23.46153 52.76011       33.61777 -11.74053      32.75814 27.57623 9.851851 17.07050 7.966399 10.50573       12.66975 
1 1 1 -22 12 46 o 33.69597 7.596326 69.13570       24.45391 83.69563       35.38442 55.82391       33.83378 34.61364 9.928354 28.20608 9.901722 6.407555       14.02199 
1 1 1 -22 12 47 o 25.32798 9.068369 42.42653       28.49945 51.05180       34.48975 23.86000       50.60215 26.92236 9.926068 23.35505 10.51809 3.567305       14.46226 
1 1 1 -22 12 48 o 17.65300 7.634089 8.147488       24.19553 19.97364       34.47551 -3.331330      33.96547 21.27234 9.155344 18.13290 8.338665 3.139446       12.38360 
1 1 1 -22 12 49 o 26.32447 9.015423 47.30667       27.96925 74.38000       46.82518 32.28958       34.87399 29.75365 11.43396 23.04592 9.519116 6.707726       14.87780 
1 1 1 -22 12 50 o 35.81032 7.758583 80.75109       26.40803 72.87023       38.12619 88.01878       36.61295 30.37920 10.52093 34.26237 10.17715 -3.883177      14.63777 
1 1 1 -22 12 51 o 18.08140 7.779635 11.91019       24.87869 0.2874922E-01  35.92681 22.85714       34.48502 18.39285 8.500377 21.08294 9.115641 -2.690084      12.46400 
1 1 1 -22 13 1  o 27.00979 5.934405 37.89620       15.25992 34.32692       21.95858 41.23000       21.22185 25.85837 7.925960 28.02001 7.563086 -2.161640      10.95541 
1 1 1 -22 13 2  f 71.74537 2.883729 253.7117       20.21012 216.0405       31.64446 279.6623       26.26439 65.72970 4.954953 75.19086 3.578858 -9.461159      6.112265 
1 1 1 -22 13 3  o 75.20808 2.890275 278.7718       21.23737 259.3541       33.62813 291.6543       27.39080 72.09381 4.792602 76.76991 3.655586 -4.676094      6.027632 
1 1 1 -22 13 4  f 34.75675 3.988647 60.51294       13.32411 43.65775       23.65723 68.34356       16.12483 28.80725 8.069702 36.84115 4.569415 -8.033895      9.273600 
1 1 1 -22 13 5  o 25.56344 5.289244 33.74651       12.79812 14.92583       22.53079 42.71184       15.55040 20.51897 7.919224 28.74028 5.728848 -8.221310      9.774139 
1 1 1 -22 13 6  o 14.34620 6.106643 0.5410566      15.03187 -16.84293      22.71280 14.09000       20.05159 14.66740 6.771559 19.60539 7.495271 -4.937991      10.10114 
1 1 1 -22 13 7  o 119.3428 3.171297 702.5536       37.01300 658.7870       54.48492 740.0596       50.43762 114.9593 4.852931 122.1214 4.225826 -7.162109      6.434947 
1 1 1 -22 13 8  o 39.90371 3.789487 79.43474       14.62388 61.13210       24.11374 90.08221       18.39208 34.04524 7.444032 42.36029 4.504740 -8.315052      8.700936 
1 1 1 -22 13 9  o 74.19914 3.007898 271.7203       21.80053 244.0850       33.49546 292.0302       28.71490 69.81891 4.933008 76.72908 3.835485 -6.910172      6.248641 
1 1 1 -22 13 10 o 29.89456 4.907171 45.64620       13.86140 19.86902       22.61620 61.15495       17.54245 21.72950 8.033200 34.59011 5.354042 -12.86061      9.653914 
1 1 1 -22 13 11 o 37.50854 4.064227 70.54517       14.68343 76.46818       23.71387 66.86230       18.69929 38.39375 6.544578 36.16020 5.452444 2.233543       8.518253 
1 1 1 -22 13 12 o 26.82525 5.628131 37.42442       14.30573 36.75378       22.55195 37.87599       18.50557 26.51092 8.013625 26.78570 6.986515 -0.2747784     10.63154 
1 1 1 -22 13 13 o 25.30663 6.799556 33.73090       17.20080 33.20086       23.18321 34.38000       25.65544 25.46089 8.192651 26.05210 8.633697 -0.5912056     11.90211 
1 1 1 -22 13 14 o 79.37074 3.684307 312.8233       28.54538 346.6354       37.97501 268.9000       43.28218 83.19736 4.682073 72.63658 6.145227 10.56078       7.725646 
1 1 1 -22 13 15 o 32.16442 5.163763 53.13618       15.70727 45.31933       24.25408 58.78281       20.61405 29.05228 8.182456 33.45400 6.529641 -4.401726      10.46847 
1 1 1 -22 13 16 o 15.08527 6.105040 5.507442       13.98629 5.625536       21.54998 5.421494       18.38427 17.91562 7.448819 16.76063 6.916082 1.154989       10.16450 
1 1 1 -22 13 17 o 65.28127 3.290954 211.4443       20.96107 215.0022       32.33026 208.8643       27.53149 65.21561 5.105337 64.54313 4.383879 0.6724777      6.729254 
1 1 1 -22 13 18 o 66.36945 3.538420 219.1154       22.90400 197.6000       37.79760 231.6000       28.79225 61.92712 6.324275 67.96291 4.350954 -6.035789      7.676409 
1 1 1 -22 13 19 o 21.98735 6.877875 24.96791       16.43881 16.91000       25.64758 30.58640       21.41634 21.46540 8.402776 24.30811 7.878801 -2.842712      11.51877 
1 1 1 -22 13 20 o 69.20576 3.396812 238.1698       22.93988 221.0173       33.58265 253.1748       31.41001 65.94057 5.246246 70.91978 4.548731 -4.979210      6.943635 
1 1 1 -22 13 21 o 77.85368 3.334112 301.2597       25.34888 294.7320       37.06050 306.9984       34.74855 76.28484 4.990662 78.07407 4.566928 -1.789223      6.764875 
1 1 1 -22 13 22 o 26.24576 6.553736 36.89537       16.78456 18.73001       22.90785 57.95117       24.66313 21.15858 8.029890 32.55206 7.835304 -11.39348      11.21923 
1 1 1 -22 13 23 o 85.18480 3.329762 360.8927       27.71049 341.2190       39.39494 380.1594       38.98538 82.05231 4.927756 86.80880 4.604559 -4.756485      6.744237 
1 1 1 -22 13 24 o 74.96507 3.407502 280.0826       24.93815 267.8632       34.99283 292.6940       35.54951 72.58473 4.954955 75.97097 4.805191 -3.386238      6.902277 
1 1 1 -22 13 25 o 58.13339 3.758282 169.5002       21.27099 153.5881       29.90727 185.7891       30.25926 54.47923 5.692312 60.23468 5.182561 -5.755444      7.698140 
1 1 1 -22 13 26 o 43.58188 4.565396 96.88880       19.18692 75.25147       26.41357 121.0605       27.91765 37.07735 7.535206 48.07189 6.068034 -10.99454      9.674728 
1 1 1 -22 13 27 o 86.60297 4.147871 378.5219       35.05902 299.9000       69.59466 405.2595       40.58493 71.90356 10.17195 89.26424 4.661098 -17.36069      11.18903 
1 1 1 -22 13 28 o 61.67860 3.826901 191.8244       22.99023 190.2004       32.16682 193.5204       32.87082 60.49156 5.492404 60.97132 5.569234 -0.4797592     7.821948 
1 1 1 -22 13 29 f 19.67780 7.205724 18.39387       18.12566 21.63003       24.57564 14.53360       26.84102 21.70792 8.298151 20.61955 8.415549 1.088373       11.81866 
1 1 1 -22 13 30 o 45.47229 4.736775 107.0355       20.77446 110.0283       28.20872 103.4885       30.70935 45.01592 6.597707 42.98905 7.574678 2.026867       10.04517 
1 1 1 -22 13 31 o 33.31850 6.311183 60.74485       19.82939 66.80664       26.19659 52.61152       30.34438 33.97052 8.009677 29.51863 9.359599 4.451895       12.31897 
1 1 1 -22 13 32 o 13.19753 6.078148 -10.33018      18.14097 -9.945959      23.10445 -10.94783      29.29375 15.14530 6.932271 16.98562 7.786262 -1.840325      10.42508 
1 1 1 -22 13 33 f 11.55736 5.548132 -22.58006      18.18500 -18.47694      23.31148 -28.95844      29.06485 14.06532 6.613835 14.89458 7.113479 -0.8292637     9.713104 
1 1 1 -22 13 34 o 17.44641 7.303257 7.971909       20.92427 13.60189       24.44474 -7.461000      40.47210 19.48631 8.000979 20.00559 9.163691 -0.5192776     12.16507 
1 1 1 -22 13 35 o 38.89730 5.725906 81.75079       21.14905 81.06760       27.90813 82.67236       32.41354 37.22872 7.903202 36.64068 9.083302 0.5880394      12.04022 
1 1 1 -22 13 36 o 40.62720 5.534722 88.83944       21.43819 75.68205       28.72846 105.3738       32.20483 35.42270 8.411618 42.31187 8.070355 -6.889172      11.65701 
1 1 1 -22 13 37 o 18.03694 7.408966 11.35963       20.97235 46.10000       29.55653 -23.86852      29.76331 27.17714 9.268706 15.43169 7.321105 11.74545       11.81133 
1 1 1 -22 13 38 o 25.98354 7.801306 40.43356       21.42517 36.68998       29.66973 44.51291       30.97172 24.79821 9.194901 26.60908 9.461579 -1.810862      13.19347 
1 1 1 -22 13 39 o 23.97868 9.249431 33.42744       30.72344 0.000000       0.000000 33.42744       30.72344 ?        ?        23.97868 9.249431 ?              ?        
1 1 1 -22 13 40 o 26.95400 11.72531 46.89000       57.77025 46.89000       57.77025 0.000000       0.000000 26.95400 11.72531 ?        ?        ?              ?        
1 1 1 -22 13 41 o 14.36825 6.800667 -19.01962      25.39503 -63.36000      56.56655 -7.827082      28.42002 18.26760 8.990542 16.54202 7.614555 1.725582       11.78182 
1 1 1 -22 13 42 o 32.23915 7.489691 62.57363       23.18237 63.93636       34.67885 61.47267       31.17069 30.25327 10.03823 30.19118 9.474816 0.6208801E-01  13.80355 
1 1 1 -22 13 43 o 37.76937 6.873283 83.09856       24.47451 85.98900       35.42887 80.46008       33.84949 35.31243 9.869378 34.33618 9.664990 0.9762459      13.81364 
1 1 1 -22 13 44 o 35.02599 8.321917 77.30541       28.10694 55.86638       34.65750 118.5000       48.04130 28.18575 10.01012 39.01021 11.67483 -10.82446      15.37869 
1 1 1 -22 13 45 o 22.75774 8.678550 30.93732       26.83867 63.65438       34.06135 -22.64000      43.58783 29.99662 9.948297 18.32171 8.739465 11.67491       13.24186 
1 1 1 -22 13 46 o 20.50493 8.899443 15.38615       33.12181 15.38615       33.12181 0.000000       0.000000 20.50493 8.899443 ?        ?        ?              ?        
1 1 1 -22 13 47 o 22.71511 8.316218 31.70854       24.14104 29.39935       34.63669 33.89001       33.66520 22.76265 9.452032 23.49056 9.484241 -0.7279091     13.38999 
1 1 1 -22 13 48 o 19.60460 8.186751 17.21904       26.19735 28.68000       43.72404 10.80065       32.72071 23.18181 10.14035 19.58634 8.662002 3.595465       13.33630 
1 1 1 -22 13 49 o 16.53034 7.381445 2.227063       24.34757 6.662815       35.06529 -1.902420      33.83309 19.25115 8.704803 18.03143 8.303046 1.219719       12.02972 
1 1 1 -22 13 50 o 22.02161 8.362748 30.76389       24.85600 33.37217       36.18611 28.43390       34.20120 22.84764 9.586897 21.96258 9.273795 0.8850632      13.33836 
1 1 1 -22 13 51 o 20.72207 8.548841 24.88258       28.08100 6.557413       35.86338 53.92000       45.14465 18.95339 8.660735 25.56539 10.71640 -6.612003      13.77859 
1 1 1 -22 14 1  o 62.18696 2.957755 190.9042       17.95235 159.2505       29.12284 210.3043       22.79936 56.21556 5.357326 65.14858 3.589160 -8.933018      6.448489 
1 1 1 -22 14 2  o 87.62070 4.188311 381.4219       35.81727 461.5000       62.84645 342.9000       43.58912 95.29083 6.782213 82.65035 5.417867 12.64048       8.680534 
1 1 1 -22 14 3  o 76.17332 2.907207 286.1588       21.63650 244.5500       33.37407 316.3260       28.41739 69.90496 4.908676 79.92340 3.642058 -10.01844      6.112257 
1 1 1 -22 14 4  o 77.04877 3.562874 293.9005       26.79755 266.0187       34.90944 333.9000       41.81285 72.91300 4.920194 81.59988 5.263036 -8.686882      7.204711 
1 1 1 -22 14 5  o 16.44588 6.073821 10.90194       12.92340 1.954000       39.98503 11.94569       13.65636 22.89906 9.857676 17.03624 6.251936 5.862820       11.67307 
1 1 1 -22 14 6  o 44.48026 4.359001 99.13296       18.73502 96.18278       26.45767 102.1000       26.53314 43.22186 6.450959 44.62167 6.245687 -1.399815      8.979058 
1 1 1 -22 14 7  o 127.2414 3.250822 799.4038       40.45499 777.9098       59.77032 817.5750       54.95636 124.8217 4.901558 128.2209 4.385232 -3.399132      6.576894 
1 1 1 -22 14 8  o 37.52217 4.020240 70.55696       14.53552 18.36082       24.10007 100.4003       18.22312 21.68254 8.234457 44.78957 4.205823 -23.10704      9.246363 
1 1 1 -22 14 9  o 66.25431 3.066456 216.9468       19.83251 206.0613       31.48381 224.1077       25.53582 64.02859 5.064733 67.14106 3.902395 -3.112465      6.393763 
1 1 1 -22 14 10 o 22.12615 6.014410 25.51638       13.36448 19.50891       21.98860 29.03566       16.82978 21.43797 7.921758 23.61597 6.869467 -2.178003      10.48541 
1 1 1 -22 14 11 o 37.15292 5.101715 70.29895       18.06364 74.22283       24.95482 65.98000       26.18097 37.58836 7.041261 35.15485 7.811245 2.433506       10.51641 
1 1 1 -22 14 12 o 18.47175 6.781523 14.40091       16.07056 32.08160       22.57770 -3.756000      22.87973 25.03184 8.087661 16.64277 7.306084 8.389072       10.89904 
1 1 1 -22 14 13 o 17.47653 6.708867 11.12321       16.10892 7.708675       21.83667 15.20000       23.86054 18.47752 7.571700 20.75391 8.110452 -2.276390      11.09550 
1 1 1 -22 14 14 o 27.73030 5.594591 40.09602       14.66113 33.51628       23.47204 44.30540       18.77397 25.47776 8.247501 28.89033 6.759624 -3.412567      10.66367 
1 1 1 -22 14 15 o 36.21600 4.501421 66.46559       15.61379 60.98504       24.66416 70.13087       20.17010 33.69150 7.653724 36.82767 5.785918 -3.136166      9.594600 
1 1 1 -22 14 16 o 24.55962 6.487440 31.94834       15.82543 55.93000       26.56447 18.75476       19.70347 32.03403 8.378147 20.58554 7.516809 11.44849       11.25592 
1 1 1 -22 14 17 o 42.39299 4.477126 90.83431       18.29772 107.3000       30.86537 81.91193       22.72071 45.06350 7.242826 39.72325 6.032914 5.340248       9.426270 
1 1 1 -22 14 18 o 19.87109 6.827610 19.04783       16.04505 -17.51000      25.38423 43.37250       20.70605 15.44724 7.141199 28.36077 7.386714 -12.91353      10.27425 
1 1 1 -22 14 19 o 27.38120 6.303638 39.86320       16.54482 11.39248       24.36470 64.22439       22.53777 19.88587 8.054212 34.72110 6.874817 -14.83522      10.58931 
1 1 1 -22 14 20 o 49.36156 4.048170 122.4683       19.38764 124.8258       28.88657 120.5358       26.15326 49.02059 6.155585 48.38728 5.626728 0.6333046      8.339742 
1 1 1 -22 14 21 o 84.48625 3.298311 354.7857       27.22380 345.0400       40.01059 363.1873       37.14900 82.51333 4.977008 84.93418 4.484355 -2.420853      6.699257 
1 1 1 -22 14 22 o 64.96338 3.540535 210.5978       22.42844 216.6551       32.89876 205.3380       30.65696 65.18100 5.199541 63.55780 4.967237 1.623196       7.190874 
1 1 1 -22 14 23 o 65.09866 3.581203 211.7774       22.73164 200.4135       32.50992 222.6482       31.79673 62.52778 5.363501 66.14469 4.946961 -3.616909      7.296545 
1 1 1 -22 14 24 o 18.89455 7.480439 12.40064       20.52927 6.353177       24.85898 25.37000       36.40457 18.84337 7.928743 24.97951 9.938169 -6.136143      12.71346 
1 1 1 -22 14 25 o 66.24747 3.607255 219.7284       23.30294 239.9851       33.81937 201.4172       32.15430 68.50262 5.079884 62.61068 5.296313 5.891941       7.338675 
1 1 1 -22 14 26 o 36.30521 5.369956 68.85647       18.50807 29.88714       24.94581 116.5746       27.60438 24.05693 8.497447 47.01215 6.145768 -22.95522      10.48699 
1 1 1 -22 14 27 o 37.07870 5.391176 72.04043       18.99374 58.88910       25.60482 88.13196       28.32276 32.22642 8.121441 39.95455 7.517906 -7.728130      11.06692 
1 1 1 -22 14 28 o 64.08040 3.793380 207.3075       23.68701 233.1475       33.90281 182.6644       33.10831 67.08839 5.203413 58.93676 5.814782 8.151634       7.803025 
1 1 1 -22 14 29 o 35.91302 5.855772 69.04917       19.87596 13.17594       26.08518 146.3942       30.69080 20.07621 8.256485 52.39393 6.098248 -32.31772      10.26441 
1 1 1 -22 14 30 o 27.41170 7.055417 42.39859       19.04152 29.43817       25.17285 59.73281       29.11220 23.46988 8.507176 31.54188 8.992139 -8.071991      12.37864 
1 1 1 -22 14 31 o 15.68536 6.696176 3.282706       18.16753 -13.31562      23.38154 28.57123       28.86042 14.78641 6.842033 23.57438 8.997181 -8.787969      11.30322 
1 1 1 -22 14 32 o 15.20154 6.645725 0.5850080E-01  18.75644 -17.98383      24.34755 26.39618       29.41695 14.50251 6.800331 23.07310 9.008706 -8.570594      11.28722 
1 1 1 -22 14 33 o 19.63150 7.747767 16.58774       21.95949 9.660143       25.97784 33.93000       41.10215 19.08107 8.070955 25.60517 10.42763 -6.524097      13.18620 
1 1 1 -22 14 34 o 20.71456 7.479896 22.47926       19.43685 10.92956       25.69216 37.93599       29.72172 19.19751 8.068102 25.47555 9.242537 -6.278038      12.26861 
1 1 1 -22 14 35 o 21.81114 7.543982 26.32177       19.60010 11.56982       26.10307 45.38987       29.67705 19.34581 8.131514 27.16328 9.287029 -7.817474      12.34384 
1 1 1 -22 14 36 o 20.45077 7.668167 21.42301       20.74853 28.83000       29.47122 14.14369       29.21614 23.19889 9.028652 20.34119 8.579305 2.857700       12.45476 
1 1 1 -22 14 37 o 36.64344 6.269907 74.86630       21.68075 79.69182       30.26545 69.77988       31.07292 35.86298 8.709624 33.01171 9.248728 2.851265       12.70419 
1 1 1 -22 14 38 o 19.13194 7.548018 16.68310       20.83535 7.169003       29.12041 26.66211       29.82343 19.01342 8.297057 22.58710 8.992249 -3.573679      12.23526 
1 1 1 -22 14 39 o 34.31454 7.930196 71.55507       26.10167 45.08241       32.00846 124.1000       45.09531 26.37630 9.588287 41.97866 10.88483 -15.60236      14.50568 
1 1 1 -22 14 40 o 28.65995 9.416681 54.77034       30.54177 0.000000       0.000000 54.77034       30.54177 ?        ?        28.65995 9.416681 ?              ?        
1 1 1 -22 14 41 o 15.83870 7.538080 -23.11885      32.05501 0.3861000      54.13478 -35.81000      39.77838 21.93987 10.23953 16.65458 8.047795 5.285292       13.02363 
1 1 1 -22 14 42 o 23.54943 8.717884 33.72940       26.65183 57.65000       56.93414 27.01660       30.16050 27.91686 11.88390 22.31481 8.988512 5.602053       14.90035 
1 1 1 -22 14 43 o 20.50135 7.925045 22.53752       22.59018 37.85060       32.80712 8.730723       31.15181 24.47718 9.525999 19.28452 8.493350 5.192659       12.76251 
1 1 1 -22 14 44 f 20.41737 7.965796 22.18353       22.98615 25.20451       32.87838 19.29516       32.14856 22.07715 9.191629 21.01133 8.936664 1.065823       12.81991 
1 1 1 -22 14 45 o 16.95305 7.889250 -10.28539      31.76672 -10.28539      31.76672 0.000000       0.000000 16.95305 7.889250 ?        ?        ?              ?        
1 1 1 -22 14 46 o 17.49093 7.779237 3.670915       26.76432 -22.82160      32.82161 56.25000       46.23862 15.89291 7.581700 27.24955 11.07387 -11.35663      13.42061 
1 1 1 -22 14 47 o 30.93030 9.594335 67.09309       32.06113 70.10000       45.28056 64.07000       45.40226 29.54156 11.27086 28.49870 11.17284 1.042866       15.87024 
1 1 1 -22 14 48 o 23.34260 8.386408 34.88104       24.39717 17.36841       35.42199 50.68692       33.65166 20.77049 9.105202 26.53985 9.801250 -5.769365      13.37794 
1 1 1 -22 14 49 o 33.95784 7.791283 73.11713       25.34658 51.01043       36.57931 93.53474       35.15410 26.07811 10.08359 36.07393 9.732847 -9.995825      14.01453 
1 1 1 -22 14 50 o 15.21303 7.010238 -5.480144      24.17837 -16.08945      35.37144 3.824743       33.12568 16.67921 7.932510 18.31252 8.350939 -1.633310      11.51794 
1 1 1 -22 15 1  o 51.17176 3.515323 130.0164       17.50070 206.0000       47.55633 118.1147       18.82148 62.90702 7.896863 48.66015 3.986527 14.24687       8.846064 
1 1 1 -22 15 2  o 59.97291 3.759002 178.7024       21.95555 150.4822       29.25392 215.1000       33.22310 54.51580 5.559955 65.38325 5.234896 -10.86745      7.636572 
1 1 1 -22 15 3  o 70.36348 4.440297 247.0999       30.42602 251.5000       53.53112 245.0000       36.98016 69.51740 8.013416 69.71866 5.462517 -0.2012558     9.698141 
1 1 1 -22 15 4  o 84.03525 2.968514 348.5310       24.37946 301.8493       37.65788 382.2128       31.98749 77.60056 4.984104 87.79789 3.730619 -10.19733      6.225657 
1 1 1 -22 15 5  f 25.63833 5.316672 34.07709       12.90429 -6.065318      23.05705 52.38555       15.57141 16.36441 7.252466 31.99105 5.147306 -15.62664      8.893426 
1 1 1 -22 15 6  o 37.76978 5.086534 72.53267       18.32738 57.04372       25.39824 89.36000       26.47282 32.64805 8.009184 41.46516 6.754750 -8.817112      10.47729 
1 1 1 -22 15 7  o 94.95296 3.048389 445.2567       28.29580 373.6252       42.02174 504.6782       38.27307 86.31055 4.995321 100.8183 3.885629 -14.50779      6.328613 
1 1 1 -22 15 8  o 60.16258 3.170703 179.2057       18.60597 160.8443       30.44725 190.1490       23.50538 56.29640 5.599529 61.79668 3.905923 -5.500278      6.827222 
1 1 1 -22 15 9  o 12.86650 5.498106 0.1233351      12.26936 20.78268       21.77319 -9.489252      14.85196 21.69122 7.904635 12.15204 5.560628 9.539177       9.664566 
1 1 1 -22 15 10 o 12.00529 5.551662 -11.83012      15.35837 -22.52217      22.32053 -2.216000      21.16551 13.69652 6.450135 16.25537 7.083874 -2.558855      9.580475 
1 1 1 -22 15 11 o 64.77149 3.791377 208.9050       23.93228 215.5497       32.28485 200.8000       35.65646 65.35630 5.086700 62.75313 5.873160 2.603172       7.769719 
1 1 1 -22 15 12 o 28.06245 6.532769 41.69827       17.60741 61.40332       25.19571 22.89000       24.61570 33.78895 7.779123 22.75393 8.386295 11.03502       11.43874 
1 1 1 -22 15 13 o 31.92583 4.983377 52.27883       15.06449 26.87989       24.53797 67.64242       19.08434 23.74674 8.423935 36.22585 5.559383 -12.47910      10.09304 
1 1 1 -22 15 14 o 71.23177 3.197874 251.5259       22.23988 245.8389       34.97810 255.3852       28.81430 69.71432 5.162508 71.47390 4.136315 -1.759575      6.615178 
1 1 1 -22 15 15 o 30.47828 5.688160 48.44882       16.34550 32.75000       28.27537 56.32816       20.03178 25.71964 9.050048 32.66133 6.494564 -6.941692      11.13924 
1 1 1 -22 15 16 o 25.93125 6.483356 35.78481       16.41099 17.82000       27.28460 45.96792       20.54218 22.04232 8.655425 29.23502 7.221516 -7.192699      11.27238 
1 1 1 -22 15 17 o 68.85741 3.375839 235.7404       22.68364 247.3752       35.83436 227.9611       29.30171 69.76184 5.287144 67.31236 4.472623 2.449478       6.925189 
1 1 1 -22 15 18 o 26.43334 6.367970 37.24225       16.27984 30.08998       24.76878 42.68216       21.60124 24.47102 8.479709 28.05455 7.654885 -3.583534      11.42378 
1 1 1 -22 15 19 o 126.3743 3.413605 793.8465       42.18716 764.4838       61.49997 819.9432       57.97892 122.8325 5.126382 127.6009 4.649830 -4.768349      6.921034 
1 1 1 -22 15 20 o 27.80322 6.525859 41.40923       17.45323 31.43056       25.73452 49.90818       23.74994 24.87149 8.642065 30.15752 7.938598 -5.286026      11.73485 
1 1 1 -22 15 21 o 39.88971 4.812148 81.36726       18.40992 111.8586       27.72051 57.30620       24.62469 46.22588 6.289440 32.29189 7.864723 13.93399       10.07030 
1 1 1 -22 15 22 o 32.66521 5.706325 56.02148       17.58152 56.04099       25.85824 56.00470       23.97631 31.73597 8.249205 31.89194 7.756290 -0.1559696     11.32296 
1 1 1 -22 15 23 o 68.82125 3.483424 236.5865       23.38948 229.9091       34.12465 242.5029       32.12159 66.99223 5.245808 69.07029 4.780655 -2.078056      7.097406 
1 1 1 -22 15 24 o 43.82401 4.561251 97.98343       19.28004 90.65682       27.99392 104.5947       26.59224 40.91646 7.255346 44.52509 6.275445 -3.608631      9.592771 
1 1 1 -22 15 25 o 24.10919 7.506563 31.53190       19.60560 20.13866       24.05235 54.09000       33.84426 21.45840 8.207706 30.56882 9.904158 -9.110420      12.86308 
1 1 1 -22 15 26 o 37.57763 5.340822 73.88629       19.09207 60.20066       26.20390 89.37196       27.87395 32.53288 8.225430 40.34520 7.328135 -7.812321      11.01632 
1 1 1 -22 15 27 o 36.18953 5.632741 69.37511       19.30403 40.23656       26.58798 101.8584       28.07251 26.66907 8.787207 43.27954 6.854750 -16.61046      11.14462 
1 1 1 -22 15 28 o 54.71640 4.143682 152.6192       22.02773 130.5179       30.38438 177.1038       31.98071 49.20222 6.465269 57.96375 5.710801 -8.761524      8.626293 
1 1 1 -22 15 29 o 46.76448 4.658717 113.2632       21.04159 92.66945       28.49716 137.9502       31.20091 40.58985 7.446970 50.44439 6.467610 -9.854538      9.863435 
1 1 1 -22 15 30 o 30.59032 6.796635 52.35977       19.82233 39.32536       26.61195 68.60468       29.70910 26.04280 8.795891 33.79845 8.870168 -7.755642      12.49190 
1 1 1 -22 15 31 o 28.44409 7.104775 46.09414       19.72148 9.543040       26.04561 95.21038       30.19234 19.13724 8.087449 40.64982 7.872541 -21.51258      11.28644 
1 1 1 -22 15 32 o 13.88974 6.439918 -12.65304      20.86864 2.595853       24.51524 -52.78000      39.76813 17.45606 7.615203 16.02168 7.811779 1.434389       10.90941 
1 1 1 -22 15 33 o 11.47737 5.543568 -25.50427      18.82189 -39.46655      24.82582 -6.629334      28.86478 12.49763 6.110510 17.25542 7.840233 -4.757797      9.940201 
1 1 1 -22 15 34 o 34.51100 6.508576 66.52271       21.18014 75.57141       29.63442 57.07386       30.28258 35.24346 8.654663 30.12621 9.321002 5.117249       12.71944 
1 1 1 -22 15 35 o 49.52502 5.127474 130.2326       24.49705 135.3000       36.59128 126.1166       32.97791 47.90741 8.090981 46.82664 7.443744 1.080765       10.99424 
1 1 1 -22 15 36 o 35.89922 6.333126 72.00792       21.44092 65.93179       29.67812 78.64156       31.00978 32.28141 9.036834 35.44191 8.940845 -3.160500      12.71232 
1 1 1 -22 15 37 o 23.12778 7.859568 31.20495       21.24992 30.41140       30.76245 31.92920       29.38846 23.46854 9.197958 23.68310 9.069118 -0.2145615     12.91710 
1 1 1 -22 15 38 o 24.09130 8.509171 35.09107       25.01444 52.09432       31.17903 4.378000       41.90428 28.12659 9.520700 20.90834 9.478834 7.218256       13.43473 
1 1 1 -22 15 39 o 40.07375 7.356887 94.71968       27.79449 68.81000       57.32186 102.6839       31.78045 29.50924 12.19792 40.91056 8.221832 -11.40133      14.71012 
1 1 1 -22 15 40 o 19.86045 7.646409 20.51173       20.96860 -1.385168      29.66330 42.38140       29.64485 17.63297 7.986416 25.56320 9.236641 -7.930227      12.21058 
1 1 1 -22 15 41 o 19.49654 8.399256 12.09170       29.07084 0.000000       0.000000 12.09170       29.07084 ?        ?        19.49654 8.399256 ?              ?        
1 1 1 -22 15 42 o 32.39198 9.961195 73.82669       34.64814 83.91000       57.44223 68.06000       43.44032 31.03562 12.43807 29.78868 11.11042 1.246937       16.67774 
1 1 1 -22 15 43 o 31.21276 8.757930 63.75743       27.84035 56.87000       57.28181 65.88756       31.85594 27.44589 11.80667 30.91398 9.559285 -3.468082      15.19136 
1 1 1 -22 15 44 o 18.65291 8.514650 -0.4785848     34.54784 -54.91000      54.10168 37.00000       44.89289 18.07739 8.876089 24.65718 10.52620 -6.579790      13.76902 
1 1 1 -22 15 45 o 12.50484 6.057426 -28.24911      22.88648 1.602814       32.60836 -57.23106      32.12969 18.48539 8.372893 13.20662 6.549807 5.278762       10.63040 
1 1 1 -22 15 46 o 31.82869 9.554431 70.82057       32.13884 97.77000       44.59227 41.69000       46.36171 34.97548 11.37134 25.07888 10.70135 9.896601       15.61494 
1 1 1 -22 15 47 o 15.92862 7.336326 -6.387451      26.43336 -13.46389      33.44149 5.396000       43.15336 16.82982 7.916204 20.43488 9.397923 -3.605059      12.28769 
1 1 1 -22 15 48 o 24.21859 8.825274 39.28039       27.13990 69.97614       34.57724 -9.977000      43.80128 30.58165 10.01792 18.92816 8.950726 11.65349       13.43407 
1 1 1 -22 15 49 o 21.89519 8.644546 30.13136       27.34685 32.82284       34.85279 25.82000       44.11117 22.65924 9.451102 22.20612 9.924319 0.4531174      13.70458 
1 1 1 -22 15 50 o 14.27118 6.807909 -18.45097      26.46098 -10.98406      33.62325 -30.60000      42.88843 16.69254 7.878022 16.86824 8.199203 -0.1757030     11.37058 
1 1 1 -22 16 1  o 21.80648 8.222542 19.33561       23.92999 19.33561       23.92999 0.000000       0.000000 21.80648 8.222542 ?        ?        ?              ?        
1 1 1 -22 16 2  o 56.48740 3.624568 158.6381       19.93500 153.8000       48.64002 159.6148       21.85486 53.20727 9.696491 56.57375 3.971872 -3.366482      10.47844 
1 1 1 -22 16 3  o 71.13357 3.399669 250.7919       23.60253 247.1000       55.25243 251.6159       26.10414 68.47457 8.420703 71.15089 3.761565 -2.676315      9.222669 
1 1 1 -22 16 4  o 45.57085 3.490256 103.3513       15.45016 86.81905       26.89670 111.4928       18.87487 40.71167 7.001949 47.19050 4.127748 -6.478832      8.128074 
1 1 1 -22 16 5  o 37.07273 3.973886 68.99527       14.19560 78.39162       25.45169 64.75234       17.10290 38.63421 6.987506 35.62775 5.045257 3.006466       8.618577 
1 1 1 -22 16 6  o 56.11061 4.002419 157.1838       21.83798 162.1771       29.69195 151.3000       32.23123 56.54058 5.431776 54.31792 6.171443 2.222664       8.221368 
1 1 1 -22 16 7  o 112.6685 3.170504 627.8247       34.93053 594.3543       52.51342 654.3862       46.78058 108.8112 4.943407 114.5916 4.177669 -5.780449      6.472263 
1 1 1 -22 16 8  o 27.46766 5.479749 39.26551       14.21616 9.784281       24.27567 54.65291       17.53804 19.66002 8.011065 32.45769 5.729642 -12.79767      9.849160 
1 1 1 -22 16 9  o 75.03954 3.589639 279.7857       26.28971 283.3649       35.80711 275.6000       38.72232 75.03702 4.901981 73.78243 5.399072 1.254585       7.292421 
1 1 1 -22 16 10 o 24.94229 6.672162 32.94754       16.60721 27.93914       24.57053 37.16000       22.53373 24.03553 8.438030 26.48145 8.011601 -2.445919      11.63555 
1 1 1 -22 16 11 o 62.80566 3.289327 195.7619       20.15095 163.2760       31.50649 218.2496       26.21352 56.51429 5.776720 66.08652 4.072119 -9.572224      7.067719 
1 1 1 -22 16 12 o 57.47163 3.401638 164.2263       19.05026 143.1467       30.91276 177.1338       24.18947 52.72226 6.102708 59.46162 4.182760 -6.739361      7.398549 
1 1 1 -22 16 13 o 35.88432 4.638700 65.51170       15.91241 87.86657       26.58264 53.02832       19.86452 40.83133 6.896550 31.62139 6.630077 9.209946       9.566626 
1 1 1 -22 16 14 o 47.96629 4.041633 115.4746       18.79939 111.0000       33.10470 117.6044       22.83936 45.60053 7.690011 48.12778 4.917243 -2.527248      9.127734 
1 1 1 -22 16 15 o 22.14837 6.707543 25.63126       15.78942 43.14000       26.68776 16.20215       19.58484 28.24687 8.752095 19.78224 7.443132 8.464626       11.48910 
1 1 1 -22 16 16 o 50.83165 3.860587 129.4665       19.06487 131.4753       30.98355 128.2425       24.18553 50.21755 6.452240 50.20453 4.987481 0.1301575E-01  8.155144 
1 1 1 -22 16 17 o 13.37610 5.902190 -3.342838      15.10997 -18.67402      23.20993 7.934219       19.90599 14.42648 6.723556 17.75385 7.246778 -3.327370      9.885444 
1 1 1 -22 16 18 o 14.07943 6.072215 -0.2853945     15.22642 13.27618       23.42263 -10.21091      20.03814 19.98024 7.964238 14.31542 6.515335 5.664822       10.28974 
1 1 1 -22 16 19 o 21.64719 6.862272 24.31377       16.31248 6.932826       24.23830 38.70407       22.05467 18.85651 7.874552 26.70357 7.890377 -7.847055      11.14749 
1 1 1 -22 16 20 o 27.85351 6.559893 41.71423       17.58759 62.69732       26.56383 25.33690       23.46807 33.65299 8.151405 22.88606 8.224827 10.76692       11.57986 
1 1 1 -22 16 21 o 105.7731 3.299325 556.8219       34.11735 568.1483       50.77581 547.4994       46.06578 105.7792 4.917454 104.1198 4.530851 1.659454       6.686551 
1 1 1 -22 16 22 o 17.22627 6.749269 10.49879       16.55899 21.45007       24.00620 0.5588250      22.87091 21.89313 8.239882 17.11775 7.412385 4.775373       11.08328 
1 1 1 -22 16 23 o 61.43318 3.754665 189.5057       22.46990 166.5939       33.17778 208.9195       30.54029 56.42370 6.104397 63.94911 4.916738 -7.525414      7.838238 
1 1 1 -22 16 24 o 32.28949 5.956650 55.55445       18.13307 62.68460       26.39779 49.18427       24.95138 33.32886 8.158665 29.49104 8.296861 3.837826       11.63622 
1 1 1 -22 16 25 o 23.04875 7.091446 28.83329       17.55744 34.76066       24.63485 22.71434       25.02980 25.21204 8.462628 22.14540 8.396064 3.066635       11.92099 
1 1 1 -22 16 26 o 37.41387 5.440658 73.74183       19.34121 76.36201       26.89825 70.93682       27.83077 36.86617 7.702667 35.19566 8.226871 1.670506       11.26998 
1 1 1 -22 16 27 o 11.83754 5.602793 -17.49737      17.23591 -16.08364      23.36869 -19.18392      25.52422 14.51204 6.757758 14.90287 6.979922 -0.3908319     9.715277 
1 1 1 -22 16 28 o 39.60671 5.400980 83.07766       20.39364 82.41631       28.01086 83.82365       29.74952 37.98138 7.795842 38.00354 8.235678 -0.2216339E-01 11.34026 
1 1 1 -22 16 29 o 26.29327 7.211169 39.30854       19.11300 0.5269216      26.10051 84.15135       28.06612 17.67774 7.780424 38.35926 7.742093 -20.68152      10.97611 
1 1 1 -22 16 30 o 33.23292 6.439676 61.09087       20.19122 49.58876       27.20307 75.20144       30.13014 28.69042 8.826959 35.36858 8.751418 -6.678152      12.42990 
1 1 1 -22 16 31 o 29.58310 7.839090 51.35861       23.06041 45.45177       28.16553 63.37000       40.16401 27.42454 9.044505 31.07215 10.79639 -3.647614      14.08421 
1 1 1 -22 16 32 o 16.95984 7.076182 7.722456       19.54683 -3.800139      26.51184 21.44611       28.93340 16.96808 7.629900 21.81968 8.798574 -4.851601      11.64604 
1 1 1 -22 16 33 o 12.04689 5.800519 -25.42935      20.22425 -54.11000      29.13191 1.253289       28.09887 12.84417 6.345958 18.11304 8.017900 -5.268874      10.22536 
1 1 1 -22 16 34 o 22.22165 7.886805 27.55331       21.51086 12.62000       31.48387 40.62743       29.45889 20.53022 8.790977 25.87130 9.224601 -5.341076      12.74263 
1 1 1 -22 16 35 o 22.07900 7.605284 27.59241       19.91228 24.98590       27.25906 30.57455       29.15710 22.07764 8.656727 23.47050 9.021739 -1.392860      12.50323 
1 1 1 -22 16 36 o 25.27921 7.677292 38.13410       20.66491 60.50756       29.46978 16.49005       28.98542 30.73191 9.131073 20.56913 8.602039 10.16278       12.54478 
1 1 1 -22 16 37 o 17.22575 7.456520 5.413983       23.12768 0.6618230      27.85528 15.96000       41.49601 17.66394 7.890932 22.23787 9.797997 -4.573935      12.58044 
1 1 1 -22 16 38 o 36.15789 6.419612 74.37331       21.88830 57.71270       31.18293 90.55500       30.73147 29.30379 9.507758 38.10262 8.460355 -8.798834      12.72694 
1 1 1 -22 16 39 o 34.16386 6.662560 67.47849       21.47940 45.82386       30.51806 88.73585       30.23681 26.34980 9.389644 37.64934 8.416605 -11.29953      12.60970 
1 1 1 -22 16 40 o 16.81262 7.130713 7.813841       20.36962 11.30160       28.86924 4.356000       28.74513 19.30024 8.342645 18.20549 8.081506 1.094746       11.61510 
1 1 1 -22 16 41 o 19.20018 7.613284 17.85559       21.29587 37.96527       30.84817 -0.4542133     29.43531 24.46301 9.310141 17.64717 7.977877 6.815838       12.26072 
1 1 1 -22 16 42 o 20.31089 8.043867 21.28370       23.74567 1.060000       39.24693 32.96182       29.82372 19.72109 9.029833 23.33656 9.082416 -3.615473      12.80735 
1 1 1 -22 16 43 o 25.22735 9.844314 42.25906       35.11132 21.75000       56.06920 55.49000       45.03465 23.68878 10.82628 27.36821 10.99767 -3.679438      15.43234 
1 1 1 -22 16 44 o 17.13477 7.759584 -1.141723      27.98943 24.63000       55.37195 -9.986630      32.43880 23.85022 10.84541 17.11020 7.965713 6.740019       13.45643 
1 1 1 -22 16 45 o 18.65082 8.374049 4.786779       31.80280 0.000000       0.000000 4.786779       31.80280 ?        ?        18.65082 8.374049 ?              ?        
1 1 1 -22 16 46 o 11.90833 5.847007 -37.05532      23.47530 -74.19449      34.71548 -5.763787      31.86548 12.92482 6.471992 17.34998 8.013834 -4.425154      10.30088 
1 1 1 -22 16 47 o 13.68587 6.496804 -17.62409      23.50821 9.747880       34.06136 -42.52241      32.48582 19.49909 8.717213 14.11442 6.919564 5.384668       11.12970 
1 1 1 -22 16 48 o 22.38970 8.723017 32.02726       27.53290 27.94044       34.66605 39.01000       45.31314 21.96335 9.308273 23.98136 10.40873 -2.018011      13.96373 
1 1 1 -22 16 49 o 13.78437 6.633244 -23.67069      26.35769 -23.18708      33.16402 -24.50000      43.42906 15.56241 7.476405 17.46399 8.431556 -1.901575      11.26888 
1 1 1 -22 17 1  o 35.65880 4.118472 64.08691       14.11118 89.80820       28.27126 55.55260       16.28481 41.23571 7.269875 32.86742 5.237494 8.368290       8.960046 
1 1 1 -22 17 2  o 35.87155 4.241549 64.95638       14.60520 21.71401       27.52542 81.90195       17.23088 23.06797 8.790804 40.27948 4.444156 -17.21151      9.850318 
1 1 1 -22 17 3  o 62.85472 3.804875 196.8711       23.29945 166.1728       32.81015 228.1000       33.09247 56.97244 5.972174 67.22517 5.066395 -10.25273      7.831681 
1 1 1 -22 17 4  o 40.29357 3.769864 81.27951       14.69590 64.57687       26.20159 88.94550       17.75084 34.61637 7.906730 42.00813 4.381299 -7.391750      9.039477 
1 1 1 -22 17 5  o 12.88491 5.468611 0.8064069      11.99434 3.088390       23.17654 -0.2834036E-01 14.01748 17.94370 7.608120 13.65756 5.857321 4.286135       9.601650 
1 1 1 -22 17 6  f 13.86829 5.686028 3.779669       12.32300 -33.08208      23.08961 18.46123       14.57185 12.83997 6.186285 19.44655 6.508354 -6.606573      8.979354 
1 1 1 -22 17 7  o 36.55079 5.020646 68.24995       17.48821 67.20081       26.58753 69.05000       23.21769 35.30111 7.892926 36.17796 6.806181 -0.8768463     10.42221 
1 1 1 -22 17 8  o 53.34978 4.074001 142.5368       21.11362 147.0608       30.54980 138.4000       29.21335 53.53352 5.929399 51.94941 5.846448 1.584110       8.326988 
1 1 1 -22 17 9  o 40.44883 4.748049 83.06776       18.44118 81.55582       27.16565 84.36000       25.11449 39.14289 7.360346 40.11538 6.627191 -0.9724884     9.904259 
1 1 1 -22 17 10 f 15.53852 6.041701 8.181578       13.18720 7.393104       23.91652 8.526009       15.80722 18.98491 7.866234 16.58410 6.564540 2.400808       10.24553 
1 1 1 -22 17 11 o 21.59778 6.387811 24.34157       14.44905 1.357995       24.39496 36.76175       17.93309 17.97369 7.718037 26.23302 6.894806 -8.259325      10.34922 
1 1 1 -22 17 12 f 16.87076 6.464299 10.59761       14.93701 -1.973000      27.10646 16.07930       17.89995 18.27459 7.989195 19.34122 7.147331 -1.066633      10.71968 
1 1 1 -22 17 13 o 80.82037 3.399513 324.6766       26.83322 407.1000       50.99159 293.1112       31.55576 89.20095 5.872805 76.45881 4.232949 12.74214       7.239316 
1 1 1 -22 17 14 o 25.27022 6.524139 34.09839       16.24802 54.85000       29.10681 24.70485       19.58319 31.44670 8.999834 22.22940 7.545161 9.217295       11.74421 
1 1 1 -22 17 15 o 13.86912 5.971968 -0.1769637     14.68240 8.403854       23.20017 -5.909645      18.96294 18.88230 7.778189 14.58969 6.514615 4.292609       10.14596 
1 1 1 -22 17 16 o 28.10941 6.032139 41.89946       16.10009 48.29900       25.29012 37.53840       20.87719 29.60935 8.360977 26.34606 7.647378 3.263292       11.33086 
1 1 1 -22 17 17 o 14.45900 6.193796 0.6317590      15.64042 -8.911205      24.05623 7.619391       20.58500 16.06642 7.242410 17.86959 7.340226 -1.803164      10.31171 
1 1 1 -22 17 18 o 29.18385 6.190333 45.34110       17.13458 27.29602       26.03970 59.12086       22.75502 23.80108 8.648792 33.02600 7.239219 -9.224916      11.27865 
1 1 1 -22 17 19 o 59.69709 3.682478 178.4590       21.41315 183.2590       33.60813 175.1788       27.78235 59.49888 5.846117 58.64487 4.884158 0.8540115      7.617879 
1 1 1 -22 17 20 o 56.86862 3.767110 162.2996       20.85127 184.3106       32.19824 146.4016       27.36427 59.77349 5.567240 53.34879 5.310724 6.424694       7.694021 
1 1 1 -22 17 21 o 22.31104 7.049621 26.29279       17.22790 29.73173       25.43634 23.37829       23.41665 24.18859 8.577140 22.25375 8.183348 1.934835       11.85473 
1 1 1 -22 17 22 f 48.10403 4.265008 117.4545       19.87411 143.5840       29.86591 96.68837       26.62495 52.39998 5.926807 42.55680 6.605716 9.843174       8.874825 
1 1 1 -22 17 23 o 62.06719 3.707087 193.7557       22.41908 199.1858       32.85813 189.0260       30.66599 61.97152 5.473013 60.50798 5.228977 1.463539       7.569417 
1 1 1 -22 17 24 o 34.16185 5.741058 61.97709       18.51706 55.75944       26.52399 67.88856       25.86267 31.14208 8.476248 34.75056 7.795709 -3.608479      11.51607 
1 1 1 -22 17 25 o 50.27382 4.303607 129.1418       20.97429 90.23557       29.39452 169.4979       29.93717 40.08036 7.773098 56.96345 5.434990 -16.88308      9.484734 
1 1 1 -22 17 26 o 33.87908 6.062342 62.03219       19.36565 59.14687       27.17679 65.00861       27.60250 31.74545 8.554372 33.35973 8.446259 -1.614279      12.02150 
1 1 1 -22 17 27 o 39.61361 5.397633 83.14333       20.38538 55.69870       28.09414 113.6611       29.62534 30.49657 8.876794 45.42290 6.878219 -14.92633      11.22975 
1 1 1 -22 17 28 o 47.31283 4.733049 116.3582       21.62535 55.76531       29.11066 190.9724       32.30367 30.33447 9.090261 60.09189 5.554841 -29.75742      10.65313 
1 1 1 -22 17 29 o 29.19610 7.793994 49.75397       22.69021 45.64981       27.83658 57.88000       39.16903 27.56713 8.985942 30.08924 10.64603 -2.522110      13.93144 
1 1 1 -22 17 30 o 19.11425 7.602511 15.01969       21.29798 10.33885       26.01205 24.54000       37.09695 19.20387 8.097174 23.62172 9.793004 -4.417854      12.70697 
1 1 1 -22 17 31 o 18.85809 7.350964 15.69082       19.56091 10.49590       26.65705 21.75153       28.79286 19.31229 8.172604 21.85091 8.789110 -2.538614      12.00166 
1 1 1 -22 17 32 o 18.01528 7.407541 10.88159       20.99167 -4.330000      30.60430 24.39641       28.84698 17.97197 8.128761 22.34717 8.860929 -4.375200      12.02467 
1 1 1 -22 17 33 o 19.86093 7.700246 18.68901       21.37401 6.397000       31.00960 29.81456       29.50158 19.48023 8.529961 23.43855 9.057625 -3.958315      12.44190 
1 1 1 -22 17 34 o 14.07979 6.410568 -6.838767      19.42248 13.27083       26.54618 -30.00447      28.49201 19.61165 8.218974 14.43714 6.934247 5.174514       10.75339 
1 1 1 -22 17 35 o 21.59798 7.575174 26.26866       19.79929 39.45370       28.11837 13.30255       27.88394 25.34906 9.015043 19.78761 8.365427 5.561445       12.29843 
1 1 1 -22 17 36 o 20.92539 7.696665 23.93654       20.71617 4.051980       29.93762 42.20590       28.69598 18.64590 8.263791 25.88453 9.116355 -7.238636      12.30440 
1 1 1 -22 17 37 o 24.39014 7.725403 36.07568       20.67785 71.28272       30.52683 6.226005       28.10843 33.01369 9.136719 18.44776 8.098244 14.56593       12.20906 
1 1 1 -22 17 38 o 20.85769 7.700860 24.29346       20.77181 28.89925       29.91232 20.00392       28.86710 22.67739 9.012995 20.85419 8.641550 1.823200       12.48641 
1 1 1 -22 17 39 o 20.53291 7.638432 23.38943       20.50663 36.10215       29.06960 10.79640       28.93241 24.07151 9.065680 19.21094 8.327821 4.860569       12.31012 
1 1 1 -22 17 40 f 17.35187 7.256199 10.13549       20.62345 26.83131       29.55816 -5.702674      28.78896 22.16157 8.908255 16.84173 7.719772 5.319845       11.78779 
1 1 1 -22 17 41 o 14.17088 6.522966 -8.041350      20.85444 -28.02654      30.71368 9.054115       28.40653 14.95871 7.188586 18.76085 8.190634 -3.802146      10.89781 
1 1 1 -22 17 42 o 15.65809 7.142501 -4.833530      24.25455 -14.02625      30.75879 10.28000       39.43940 16.28340 7.637955 20.70885 9.309500 -4.425449      12.04181 
1 1 1 -22 17 43 o 11.12490 5.529826 -47.81434      23.40913 -45.09000      35.88261 -49.83294      30.88719 14.95200 7.318097 13.32171 6.573007 1.630282       9.836613 
1 1 1 -22 17 44 o 30.23494 9.484645 63.81570       31.23860 63.36000       41.83493 64.39000       46.96483 28.63152 10.85478 28.40270 11.29190 0.2288208      15.66312 
1 1 1 -22 17 45 o 24.59284 8.989484 39.91287       28.19123 43.77000       58.17222 38.72897       32.22862 25.54142 11.40713 24.27385 9.443113 1.267565       14.80862 
1 1 1 -22 17 46 o 18.15862 8.012412 7.671222       27.84562 -5.792000      53.18571 12.75518       32.68296 20.62860 9.786629 19.72562 8.693130 0.9029827      13.09002 
1 1 1 -22 17 47 o 16.12625 7.465292 -6.541843      27.88078 10.10000       53.79005 -12.65533      32.60211 21.68711 10.14941 16.54873 7.793977 5.138384       12.79674 
1 1 1 -22 17 48 o 16.27731 7.255997 3.325121       23.42174 -20.78576      33.12482 27.43167       33.12185 15.75844 7.544445 21.58302 9.120549 -5.824581      11.83651 
1 1 1 -22 18 1  o 51.90972 4.295926 135.3844       21.63261 129.3825       31.11471 141.0000       30.09693 49.91109 6.524960 52.36719 5.978594 -2.456104      8.849785 
1 1 1 -22 18 2  o 90.84007 3.083091 408.5000       27.37412 347.6396       42.91574 450.2472       35.54369 82.85673 5.319651 95.08561 3.826745 -12.22888      6.553065 
1 1 1 -22 18 3  o 63.55490 3.876860 201.6451       24.00293 0.000000       0.000000 201.6451       24.00293 ?        ?        63.55490 3.876860 ?              ?        
1 1 1 -22 18 4  o 67.82473 3.799238 229.4011       25.12184 205.5807       35.31641 253.8000       35.74272 63.43454 5.750204 70.79396 5.194203 -7.359425      7.748845 
1 1 1 -22 18 5  o 20.70139 6.688336 21.65061       15.44087 13.41344       24.63588 26.98000       19.81607 20.45924 8.163676 23.04250 7.585777 -2.583254      11.14404 
1 1 1 -22 18 6  o 30.35961 5.911996 48.31530       16.93652 5.944387       25.90212 79.96000       22.38474 19.30000 8.105459 39.23299 6.021006 -19.93299      10.09708 
1 1 1 -22 18 7  o 41.18026 4.722586 86.11443       18.69195 76.66530       27.93982 93.77000       25.14874 37.69320 7.828969 42.45458 6.237668 -4.761387      10.01006 
1 1 1 -22 18 8  o 32.94484 5.750794 56.55761       17.87047 1.435578       25.93329 106.4000       24.66008 18.47588 7.946007 45.48215 5.661417 -27.00627      9.756570 
1 1 1 -22 18 9  o 95.61704 3.118473 453.0702       29.14756 429.1840       45.44260 469.7662       37.99241 92.13248 5.058408 96.97403 4.011195 -4.841553      6.455786 
1 1 1 -22 18 10 o 68.05285 3.194962 229.9355       21.22287 213.2714       34.52282 240.0590       26.90790 64.63033 5.509603 69.26663 3.985538 -4.636299      6.800018 
1 1 1 -22 18 11 o 22.79965 6.464731 27.51076       15.08774 54.69000       29.31886 17.72038       17.59657 31.39922 9.047124 19.73131 7.118036 11.66791       11.51160 
1 1 1 -22 18 12 o 30.16270 5.737499 47.72420       16.32063 59.82000       29.81733 42.55025       19.50126 32.75538 9.016232 28.08548 7.093095 4.669907       11.47190 
1 1 1 -22 18 13 o 13.75160 5.975154 -1.246727      14.96582 22.89000       28.06913 -10.83360      17.69002 23.18876 8.867339 13.20282 6.051650 9.985937       10.73556 
1 1 1 -22 18 14 o 20.05856 6.615117 20.25654       15.06691 24.40525       24.46629 17.72199       19.12324 22.86611 8.371964 20.02631 7.389828 2.839800       11.16689 
1 1 1 -22 18 15 o 87.14229 3.247904 377.4235       27.65526 355.8538       42.62066 393.1093       36.34548 83.59715 5.234895 88.48164 4.208601 -4.884491      6.716878 
1 1 1 -22 18 16 o 27.83611 6.294765 41.41563       16.74775 36.54812       26.54006 44.63646       21.58901 26.24732 8.783428 28.56983 7.591484 -2.322506      11.60945 
1 1 1 -22 18 17 o 10.35938 5.012758 -23.98830      15.56647 -21.21942      24.29711 -25.91611      20.27372 14.47616 6.789669 12.31077 5.896097 2.165392       8.992417 
1 1 1 -22 18 18 o 57.20797 3.731621 164.1521       20.78182 163.8942       32.17726 164.3367       27.22054 56.14184 5.945650 56.72483 4.952098 -0.5829849     7.737831 
1 1 1 -22 18 19 o 45.00046 4.362981 102.8792       18.97707 102.3083       29.16559 103.2984       24.99075 43.64087 7.069279 44.44609 5.889113 -0.8052139     9.200889 
1 1 1 -22 18 20 o 42.18027 4.610881 90.97981       18.72730 97.44195       28.81298 86.25308       24.64223 42.45507 7.189845 40.24923 6.474384 2.205841       9.675304 
1 1 1 -22 18 21 o 50.20500 4.146286 127.7639       20.19419 123.4395       30.11171 131.2986       27.22394 48.13941 6.560987 50.18606 5.639410 -2.046654      8.651560 
1 1 1 -22 18 22 o 23.43918 7.143592 29.89746       17.87047 16.57316       26.68690 40.72935       24.06179 21.12095 8.473312 26.92952 8.304626 -5.808569      11.86439 
1 1 1 -22 18 23 o 39.90717 5.123597 83.00864       19.55273 97.28294       28.96178 71.05356       26.50476 42.03481 7.303910 35.49701 7.838042 6.537800       10.71364 
1 1 1 -22 18 24 o 55.19588 4.084109 154.9870       21.90901 148.1213       31.95113 161.0800       30.09971 52.59507 6.333664 55.35476 5.633636 -2.759697      8.476624 
1 1 1 -22 18 25 o 28.32878 6.861228 44.87206       18.82159 9.807578       26.09741 82.87944       27.17050 19.36943 8.135370 38.35829 7.505447 -18.98886      11.06869 
1 1 1 -22 18 26 f 61.76423 3.918176 194.1196       23.56583 135.3481       32.30824 260.9372       34.44890 49.62901 6.831838 70.82069 5.001630 -21.19169      8.467013 
1 1 1 -22 18 27 o 36.73265 5.856723 72.81358       20.35120 37.03609       27.61347 115.3535       30.11024 25.42026 8.943592 45.60227 6.966270 -20.18201      11.33652 
1 1 1 -22 18 28 o 36.06289 6.827825 72.73637       23.21950 66.15487       27.65533 88.46000       42.74574 33.27027 8.471037 36.34018 11.04282 -3.069912      13.91770 
1 1 1 -22 18 29 o 22.97331 7.936598 29.51609       21.69076 33.52117       25.97132 20.28000       39.43956 24.28287 8.661026 23.26484 9.896832 1.018038       13.15145 
1 1 1 -22 18 30 o 32.36744 6.816454 59.30093       20.91252 74.46646       29.39638 43.76162       29.75644 35.02862 8.630571 26.80518 9.294044 8.223434       12.68330 
1 1 1 -22 18 31 o 17.15051 7.263077 6.725638       21.07948 2.844000       31.49643 9.874890       28.36989 19.14875 8.481964 19.53436 8.354271 -0.3856049     11.90536 
1 1 1 -22 18 32 f 34.68750 7.024782 68.85679       23.03250 80.10000       35.54868 60.72207       30.23776 34.99962 9.922888 30.92763 9.263768 4.071989       13.57502 
1 1 1 -22 18 33 f 22.10326 7.595710 27.69979       19.85845 30.89244       27.36315 24.14702       28.86520 23.39765 8.799085 22.09138 8.829401 1.306271       12.46524 
1 1 1 -22 18 34 o 25.50223 7.544626 38.76508       20.15408 28.04486       28.05913 50.19016       28.96690 22.69042 8.815606 28.00397 9.168993 -5.313553      12.71949 
1 1 1 -22 18 35 o 25.68801 8.557706 40.89195       25.19808 10.55000       55.29445 48.84454       28.30832 23.37471 10.70849 27.60603 9.065595 -4.231319      14.03056 
1 1 1 -22 18 36 o 21.46268 7.564910 26.42941       19.76283 26.43539       28.15642 26.42362       27.74582 22.11702 8.759146 22.07544 8.709964 0.4158211E-01  12.35258 
1 1 1 -22 18 37 o 16.92904 7.068150 9.260181       19.52212 24.49735       28.05394 -5.046145      27.18352 21.61495 8.682058 16.55282 7.554788 5.062128       11.50882 
1 1 1 -22 18 38 f 17.93709 7.310098 13.29147       20.21693 10.87880       28.35623 15.78575       28.83181 19.09060 8.260118 19.99541 8.482208 -0.9048100     11.83965 
1 1 1 -22 18 39 o 25.06181 7.780935 38.75975       21.08159 43.03030       29.87017 34.52125       29.75788 25.64188 9.270782 23.73721 9.116791 1.904671       13.00243 
1 1 1 -22 18 40 o 24.68352 7.888411 38.00996       21.51999 43.71281       31.60637 33.08128       29.38285 25.58257 9.489406 23.28292 9.027977 2.299643       13.09783 
1 1 1 -22 18 41 o 30.85680 8.283907 60.91782       25.54342 95.38113       32.80900 7.880000       40.70121 38.21819 8.931747 20.59441 9.338604 17.62378       12.92229 
1 1 1 -22 18 42 o 15.27798 6.844216 -1.124418      21.11334 -12.09212      30.17064 9.401242       29.55638 16.31928 7.625515 18.95682 8.313481 -2.637545      11.28107 
1 1 1 -22 18 43 o 22.26159 8.380485 29.80302       24.83560 4.021000       40.59665 45.22320       31.39615 20.08817 9.192598 25.78515 9.476674 -5.696987      13.20270 
1 1 1 -22 18 44 o 15.86546 7.235467 -3.866287      24.87211 -24.93000      40.99839 8.400627       31.28722 17.42779 8.356849 18.99744 8.432267 -1.569649      11.87182 
1 1 1 -22 18 45 o 23.96564 8.909971 37.63817       27.89408 33.16211       34.36696 46.28000       47.75249 23.17131 9.497400 25.47026 10.86429 -2.298954      14.43029 
1 1 1 -22 18 46 o 18.38140 7.694252 14.34228       23.22285 -17.20724      32.78613 46.10809       32.89832 16.18000 7.678375 25.40216 9.626901 -9.222160      12.31400 
1 1 1 -22 18 47 f 21.95470 8.768165 30.37903       28.44457 1.236000       53.95882 41.59420       33.47326 20.77565 9.856716 24.17341 9.557714 -3.397758      13.72970 
1 1 1 -22 18 48 o 20.50100 8.543912 23.53462       28.44895 20.58000       52.98676 24.73131       33.72161 22.03316 10.23142 21.11762 9.071254 0.9155407      13.67368 
1 1 1 -22 19 1  o 74.14368 3.412127 273.3260       24.69674 416.9000       67.79892 251.3608       26.51869 88.79583 7.882344 70.94949 3.832762 17.84634       8.764783 
1 1 1 -22 19 2  o 40.24041 3.919258 81.41766       15.24196 50.81665       29.19737 92.88090       17.87020 30.39639 9.102621 42.88842 4.315399 -12.49203      10.07375 
1 1 1 -22 19 3  o 27.50834 5.401675 39.53144       14.02520 18.72676       27.92488 46.54990       16.21928 22.33824 8.760947 29.79636 5.769619 -7.458122      10.49012 
1 1 1 -22 19 4  f 44.44963 4.672071 100.2326       20.02396 45.53007       29.92187 144.6000       26.94742 28.99613 9.305308 53.25239 5.237475 -24.25626      10.67801 
1 1 1 -22 19 5  o 57.98856 4.356565 169.2391       24.54741 195.1000       41.00988 154.8000       30.64335 61.02835 6.991210 54.86747 5.793142 6.160877       9.079511 
1 1 1 -22 19 6  o 13.79599 6.572443 -28.62559      24.49258 -28.62559      24.49258 0.000000       0.000000 13.79599 6.572443 ?        ?        ?              ?        
1 1 1 -22 19 7  o 48.87074 3.600328 119.3793       17.10163 142.7074       30.46307 108.6439       20.66533 52.52774 6.034338 46.29413 4.622199 6.233616       7.601182 
1 1 1 -22 19 8  o 15.66883 6.050413 8.755669       13.15654 -8.510731      24.72578 15.57503       15.53893 16.40494 7.373233 18.57476 6.690476 -2.169815      9.956257 
1 1 1 -22 19 9  o 17.94028 6.399014 14.68469       14.17702 13.28521       26.28334 15.25894       16.83622 20.74661 8.378811 18.78588 6.933560 1.960726       10.87560 
1 1 1 -22 19 10 o 60.31668 3.579672 181.6283       21.03920 194.8000       40.62453 176.8006       24.59445 60.88996 6.939841 59.26196 4.268491 1.627998       8.147478 
1 1 1 -22 19 11 o 33.93467 5.208199 59.57192       16.74794 36.89000       32.93920 67.48013       19.44967 26.99879 9.738874 35.97647 5.713983 -8.977674      11.29138 
1 1 1 -22 19 12 o 86.15517 3.232235 368.8716       27.20945 337.6887       42.97648 389.7336       35.15204 81.30985 5.430985 88.16613 4.084362 -6.856277      6.795411 
1 1 1 -22 19 13 o 50.52048 3.860704 128.1506       18.94689 130.0827       31.31873 127.0352       23.79520 49.74524 6.594274 49.90492 4.935820 -0.1596870     8.236915 
1 1 1 -22 19 14 o 34.09386 5.256467 60.28880       16.97880 52.46011       27.96949 64.85721       21.36595 30.62651 8.840145 34.91343 6.490919 -4.286915      10.96723 
1 1 1 -22 19 15 o 44.80603 4.338304 101.7981       18.78890 89.76717       30.23758 109.3650       23.98034 40.47750 7.915529 46.02013 5.427848 -5.542625      9.597767 
1 1 1 -22 19 16 o 20.24384 6.940550 20.34904       16.57777 -0.5525631     26.44798 33.87526       21.27605 18.09826 7.902259 25.05089 7.822916 -6.952625      11.11952 
1 1 1 -22 19 17 o 39.69326 4.835504 80.92965       18.40007 72.45345       29.45166 86.35612       23.56503 35.89155 8.512809 40.46622 6.142039 -4.574677      10.49726 
1 1 1 -22 19 18 o 29.15627 6.302870 45.70283       17.46264 44.56963       27.79786 46.44157       22.44408 28.24496 8.958570 28.92514 7.764991 -0.6801796     11.85542 
1 1 1 -22 19 19 o 82.00829 3.363493 335.9496       26.94213 337.1945       41.71222 335.0584       35.29146 80.96777 5.292144 81.28506 4.452609 -0.3172913     6.916106 
1 1 1 -22 19 20 o 78.69878 3.414193 310.0049       26.23782 284.6248       39.24194 330.5242       35.28453 74.14376 5.445143 80.62214 4.488921 -6.478378      7.056911 
1 1 1 -22 19 21 o 56.23190 3.958921 160.0530       21.65117 160.9022       32.61108 159.3837       28.95303 55.13427 6.147233 55.33271 5.414957 -0.1984406     8.192083 
1 1 1 -22 19 22 o 35.57332 5.526042 66.97787       18.61756 68.33170       27.00373 65.75135       25.70283 34.55893 8.121206 34.02391 7.873829 0.5350189      11.31155 
1 1 1 -22 19 23 o 19.87074 7.123992 19.59974       17.59465 3.477741       25.52742 34.18973       24.28428 18.13477 7.841910 24.78972 8.402254 -6.654953      11.49319 
1 1 1 -22 19 24 o 27.13059 7.014454 41.49884       18.76387 41.23943       26.54960 41.75771       26.52266 26.62624 8.781218 26.76676 8.774191 -0.1405201     12.41355 
1 1 1 -22 19 25 o 32.93248 6.399389 59.74379       19.88514 41.68735       28.55073 76.75455       27.71169 26.64539 9.109115 36.39063 7.998351 -9.745237      12.12228 
1 1 1 -22 19 26 o 53.10287 4.414654 145.4913       22.73940 118.7906       31.72626 173.6979       32.60862 45.99365 7.290006 56.91718 5.940406 -10.92353      9.403861 
1 1 1 -22 19 27 o 30.53835 7.611565 54.18895       22.67065 29.06370       26.77616 117.8000       42.60488 23.29384 8.715841 42.96323 10.27069 -19.66940      13.47045 
1 1 1 -22 19 28 o 40.30827 6.302624 89.26139       24.05305 65.51167       28.44193 148.9000       45.07060 32.81527 8.710625 48.94237 9.750690 -16.12710      13.07482 
1 1 1 -22 19 29 o 30.78229 6.860614 53.92007       20.14297 55.47792       27.89626 52.22303       29.11577 29.97474 8.878405 28.96240 9.166301 1.012333       12.76116 
1 1 1 -22 19 30 o 21.86932 7.730452 26.33572       20.64879 41.08000       30.97122 14.53760       27.70466 26.08908 9.439056 20.20348 8.426554 5.885601       12.65317 
1 1 1 -22 19 31 o 25.13773 7.552056 37.16797       20.07336 53.96662       28.02023 19.45748       28.77067 29.35989 8.944495 21.22403 8.693447 8.135857       12.47317 
1 1 1 -22 19 32 o 31.27084 6.816995 56.06656       20.27591 52.06413       28.10067 60.41344       29.28492 28.72134 8.993629 30.83124 9.087567 -2.109907      12.78551 
1 1 1 -22 19 33 o 33.37696 7.401877 65.63987       23.54817 53.14920       27.95457 96.16000       43.69714 28.87452 8.959201 36.53087 11.17779 -7.656347      14.32516 
1 1 1 -22 19 34 o 14.52559 6.788638 -14.36490      23.92995 -47.86000      53.81314 -6.108781      26.71688 18.85364 9.168824 16.42957 7.495137 2.424063       11.84248 
1 1 1 -22 19 35 o 21.38246 7.582897 26.15602       19.88152 64.55916       28.76903 -8.951347      27.50686 31.57496 8.918041 16.19225 7.467124 15.38272       11.63140 
1 1 1 -22 19 36 o 13.08525 6.107104 -12.05430      19.25828 -22.34274      28.00338 -2.821964      26.52719 14.79334 7.041988 16.66966 7.551044 -1.876320      10.32511 
1 1 1 -22 19 37 o 22.76268 7.642874 31.26887       20.09324 37.84505       29.05828 25.24350       27.81477 24.40574 9.090062 21.62223 8.658675 2.783516       12.55396 
1 1 1 -22 19 38 o 19.19415 7.496206 18.39218       20.37279 15.04885       29.38041 21.48853       28.27436 19.96292 8.518678 20.95492 8.604554 -0.9919930     12.10811 
1 1 1 -22 19 39 o 29.53979 7.504811 53.50598       21.73948 49.50470       32.00816 56.93226       29.61915 26.83712 9.610197 28.93663 9.255269 -2.099512      13.34226 
1 1 1 -22 19 40 o 35.47849 7.713541 77.25183       26.02156 79.58752       32.82264 73.30000       42.69394 34.09290 9.488724 30.61571 11.08160 3.477192       14.58896 
1 1 1 -22 19 41 o 13.69941 6.384189 -11.32685      20.91941 1.928394       30.36342 -23.30413      28.86263 18.04773 8.135988 14.82583 7.082850 3.221892       10.78708 
1 1 1 -22 19 42 o 15.42837 6.980678 -2.826760      22.59280 13.08000       36.72509 -12.51229      28.65720 20.57868 9.134827 15.85922 7.417481 4.719460       11.76708 
1 1 1 -22 19 43 o 29.87968 7.860282 56.50240       23.29356 72.54668       33.69712 41.81969       32.23560 31.75278 9.833855 24.85267 9.502922 6.900114       13.67517 
1 1 1 -22 19 44 o 25.19091 8.166633 40.99856       23.00900 9.627262       32.77977 71.46719       32.30472 19.38537 8.616235 31.78170 9.587731 -12.39633      12.89046 
1 1 1 -22 19 45 o 30.41888 8.425799 61.44190       25.94882 77.14000       41.49287 51.35891       33.25407 30.71246 10.94810 26.51611 9.751736 4.196344       14.66142 
1 1 1 -22 19 46 o 21.63874 8.629073 28.82432       27.50821 14.94182       32.92727 60.90000       50.05066 19.77864 8.720663 26.63876 11.23193 -6.860126      14.21993 
1 1 1 -22 19 47 o 20.47771 8.018040 25.24419       23.35733 30.94955       33.05518 19.55464       33.00937 22.05630 9.202229 20.25758 8.836966 1.798723       12.75825 
1 1 1 -22 20 1  o 28.40146 5.218322 42.01655       13.97257 53.13729       28.79973 38.59309       15.97918 30.92172 8.983825 26.92580 6.192216 3.995922       10.91113 
1 1 1 -22 20 2  o 39.03798 4.161105 77.04826       15.65538 67.17523       30.16903 80.68661       18.31422 34.69423 8.855170 39.75410 4.803822 -5.059872      10.07426 
1 1 1 -22 20 3  o 40.22977 4.983784 82.86496       19.20580 62.61695       30.74694 95.82000       24.59405 33.41173 9.139295 42.89446 6.023372 -9.482727      10.94567 
1 1 1 -22 20 4  o 48.52919 4.435071 119.1166       20.83472 105.8793       32.34895 128.5000       27.23587 44.31083 7.739893 49.92386 5.674029 -5.613026      9.596904 
1 1 1 -22 20 5  o 45.55019 4.770462 105.6079       20.95437 42.85565       30.98428 158.5000       28.44606 28.24383 9.490857 55.67395 5.283147 -27.43012      10.86223 
1 1 1 -22 20 6  o 52.42275 3.802678 137.7521       19.37996 93.99000       37.34646 153.8792       22.67138 40.74453 9.534313 55.27315 4.222380 -14.52862      10.42745 
1 1 1 -22 20 7  o 31.44151 5.066417 51.16431       15.06252 43.21523       28.13594 54.35772       17.83324 28.16184 9.021913 32.14959 5.883691 -3.987745      10.77092 
1 1 1 -22 20 8  o 31.66897 6.517307 53.52975       19.52862 29.62000       33.31153 66.05000       24.10536 25.46367 9.678572 34.95585 7.281824 -9.492182      12.11197 
1 1 1 -22 20 9  o 45.51055 4.178709 104.5822       18.40728 99.77000       35.64030 106.3327       21.49622 42.30927 8.889023 45.64002 4.887864 -3.330753      10.14426 
1 1 1 -22 20 10 o 67.46154 3.540264 227.1796       23.29568 211.4000       44.48862 233.1406       27.34414 63.08796 7.341358 68.10903 4.120879 -5.021076      8.418859 
1 1 1 -22 20 11 o 36.83149 4.725656 69.47765       16.64473 60.59346       29.01399 73.83582       20.32125 32.83093 8.835276 37.62780 5.695342 -4.796867      10.51185 
1 1 1 -22 20 12 o 30.89055 5.677732 50.20914       16.53505 20.06100       28.04367 66.27563       20.47223 22.43242 8.784989 35.42115 6.126297 -12.98873      10.71016 
1 1 1 -22 20 13 o 56.66713 3.786429 161.1888       20.88181 141.4936       33.86941 173.2662       26.52249 51.62422 6.873298 58.38378 4.680217 -6.759556      8.315447 
1 1 1 -22 20 14 o 53.59630 3.894946 144.5460       20.29404 128.7731       33.26881 153.8933       25.61086 49.03011 7.141881 54.92376 4.812422 -5.893646      8.611961 
1 1 1 -22 20 15 o 26.30554 6.615373 37.51361       17.01447 30.94869       28.70179 41.07058       21.12683 24.87436 9.073923 27.29672 7.618432 -2.422358      11.84806 
1 1 1 -22 20 16 o 51.78890 4.021128 135.4226       20.22445 125.0058       32.50508 142.0024       25.83395 48.23494 7.096597 52.56815 5.084051 -4.333210      8.729792 
1 1 1 -22 20 17 o 59.36159 3.742785 177.1961       21.63666 167.7043       33.97314 183.6732       28.06432 56.42192 6.256547 59.91979 4.825739 -3.497871      7.901401 
1 1 1 -22 20 18 o 14.35668 6.258308 -0.9667422     16.53012 23.14376       25.77452 -17.81255      21.54434 22.41134 8.514667 13.70678 6.417454 8.704563       10.66224 
1 1 1 -22 20 19 o 18.14011 6.929691 13.69598       17.13095 2.628649       26.47674 21.66539       22.46758 18.41134 7.973928 21.42068 7.990105 -3.009340      11.28828 
1 1 1 -22 20 20 o 92.89714 3.336893 432.2197       30.29317 385.3971       44.24864 473.5246       41.55971 86.25999 5.265728 96.42385 4.415052 -10.16386      6.871723 
1 1 1 -22 20 21 o 54.86599 4.049544 153.1331       21.59455 164.8933       32.89678 144.2285       28.62541 55.62555 6.144161 52.29749 5.683249 3.328064       8.369590 
1 1 1 -22 20 22 o 46.12091 4.579188 109.8801       20.39976 86.21910       29.05359 132.8880       28.64987 38.85478 7.908472 49.88026 5.987508 -11.02548      9.919384 
1 1 1 -22 20 23 o 32.73170 6.226728 58.65663       19.22088 65.87096       27.35046 51.61691       27.01746 33.42273 8.377409 29.40034 8.744745 4.022381       12.10998 
1 1 1 -22 20 24 o 37.20731 5.801395 74.55541       20.43953 111.1270       29.71021 41.69256       28.16349 44.70468 7.020755 26.60964 9.048143 18.09504       11.45251 
1 1 1 -22 20 25 o 20.54495 7.371335 21.87868       18.84155 17.94307       25.80279 26.37434       27.57762 20.71508 8.324415 22.81187 8.772581 -2.096794      12.09355 
1 1 1 -22 20 26 o 35.16850 7.050353 70.07123       23.42429 82.96621       28.58497 43.71000       40.87052 37.64031 8.005010 27.17521 10.61623 10.46510       13.29604 
1 1 1 -22 20 27 o 19.61119 7.428500 18.51841       19.58273 13.53113       26.47135 24.54690       29.10374 19.84016 8.252879 22.46400 8.902504 -2.623838      12.13938 
1 1 1 -22 20 28 o 30.95324 6.811131 54.44400       20.07523 38.12963       27.42067 73.28992       29.47147 25.35310 8.912938 34.62971 8.705317 -9.276609      12.45885 
1 1 1 -22 20 29 o 19.42531 7.552856 17.40703       20.60874 4.634000       30.74292 27.83150       27.77314 19.18642 8.444258 22.87532 8.801903 -3.688902      12.19750 
1 1 1 -22 20 30 o 24.17178 7.629574 34.29256       20.18393 45.31957       29.01218 23.94914       28.09851 26.94533 9.183093 21.97817 8.735342 4.967154       12.67420 
1 1 1 -22 20 31 o 33.58908 6.524609 63.78572       20.67823 56.75776       29.50300 70.57169       28.99061 29.77435 9.198209 33.64401 8.729254 -3.869656      12.68097 
1 1 1 -22 20 32 o 16.37264 7.192619 1.850437       22.21054 0.1268471      26.52025 5.899000       40.64536 17.28328 7.711646 20.96544 9.435605 -3.682161      12.18606 
1 1 1 -22 20 33 o 32.69342 6.689009 61.39397       20.68352 49.05942       29.41389 73.45889       29.09063 27.52385 9.247202 34.15436 8.683743 -6.630508      12.68535 
1 1 1 -22 20 34 o 29.59449 7.154625 52.01191       20.49466 68.16171       29.05119 36.01104       28.91694 32.47798 8.883621 24.20906 9.057710 8.268915       12.68703 
1 1 1 -22 20 35 o 13.85466 6.319998 -6.121635      18.99142 -5.148681      26.75249 -7.110079      26.96461 16.39964 7.488610 16.20124 7.442809 0.1984043      10.55816 
1 1 1 -22 20 36 o 23.65185 7.555617 34.09759       19.74409 37.10957       27.78172 31.02384       28.06516 24.21673 8.912082 22.84089 8.832294 1.375835       12.54730 
1 1 1 -22 20 37 o 36.75392 6.118970 76.38813       21.23984 80.72585       30.59993 72.35519       29.50531 35.22383 8.879202 33.24718 8.893253 1.976646       12.56703 
1 1 1 -22 20 38 o 13.46477 6.260366 -10.62029      19.93371 -30.83882      28.16191 9.680629       28.21923 13.96437 6.753586 18.77713 8.181231 -4.812759      10.60865 
1 1 1 -22 20 39 o 21.28230 8.141858 25.85446       23.67085 27.88296       29.59117 22.25000       39.44524 22.17215 8.912976 22.17811 9.667676 -0.5968094E-02 13.14934 
1 1 1 -22 20 40 o 49.70981 4.997690 133.6018       23.98780 144.4421       34.76594 123.7517       33.14016 49.04098 7.478796 44.98610 7.809201 4.054878       10.81277 
1 1 1 -22 20 41 o 17.41621 7.434344 9.184487       22.38978 8.672000       35.47819 9.523689       28.86349 19.80851 8.873072 18.79450 8.229601 1.014006       12.10197 
1 1 1 -22 20 42 o 22.38201 7.938272 30.93684       21.78924 22.64964       31.23590 38.79158       30.40998 21.16593 8.895761 24.22183 9.237675 -3.055902      12.82455 
1 1 1 -22 20 43 o 21.60153 7.959925 28.11163       22.17443 23.12911       31.56635 32.96558       31.15642 21.26068 8.939566 23.01842 9.182074 -1.757746      12.81508 
1 1 1 -22 20 44 o 15.64427 7.002825 0.5472468      22.05659 6.243025       31.46229 -4.957424      30.92997 18.54447 8.327474 17.05216 7.883013 1.492315       11.46685 
1 1 1 -22 20 45 o 18.13894 7.586251 14.19724       22.54633 14.07625       32.42206 14.31054       31.37440 19.62063 8.652145 19.51148 8.560783 0.1091423      12.17155 
1 1 1 -22 20 46 o 15.23849 7.066006 -6.646573      25.13355 -32.40000      40.08067 10.04290       32.26553 16.23668 7.899958 18.82884 8.445889 -2.592169      11.56470 
1 1 1 -22 21 1  o 27.40673 7.282820 40.83573       19.86845 -6.007000      56.07767 47.56000       21.24670 24.70976 11.10506 29.53569 7.372658 -4.825930      13.32961 
1 1 1 -22 21 2  o 64.49316 4.717949 210.8233       29.57727 226.2000       61.51720 206.2000       33.73196 63.02802 10.32887 63.39657 5.489933 -0.3685493     11.69722 
1 1 1 -22 21 3  o 65.68140 3.962321 216.4483       25.35560 199.4727       37.11802 231.3000       34.71858 61.95374 6.204228 67.25844 5.316841 -5.304703      8.170755 
1 1 1 -22 21 4  o 21.15306 6.349195 23.50494       14.19296 23.06311       28.54006 23.65012       16.35927 23.22936 8.926612 21.39454 6.881879 1.834818       11.27141 
1 1 1 -22 21 5  o 12.34721 5.510079 -4.500470      13.54496 -34.51257      27.08828 5.505173       15.64069 14.12653 6.778840 15.61922 6.405115 -1.492687      9.326208 
1 1 1 -22 21 6  o 30.91340 5.538274 50.07439       16.14270 -23.41848      29.20245 82.41377       19.37147 15.99602 7.483497 40.03943 5.055214 -24.04341      9.030942 
1 1 1 -22 21 7  o 26.60868 6.324243 37.98002       16.22793 45.31000       33.33500 35.70337       18.57794 28.82558 9.843066 25.66900 7.136665 3.156584       12.15804 
1 1 1 -22 21 8  f 24.45319 6.519082 32.16402       15.88748 46.18000       33.45424 28.08245       18.05315 29.00262 9.861481 23.02989 7.208226 5.972729       12.21505 
1 1 1 -22 21 9  o 37.28635 5.630640 72.58698       19.91034 70.01332       30.18138 74.57000       26.49278 35.21619 8.785161 36.93742 7.581719 -1.721222      11.60437 
1 1 1 -22 21 10 o 16.07707 6.503868 7.096969       15.86632 -34.99007      27.71352 27.61799       19.35161 14.26252 6.847372 22.94321 7.493178 -8.680691      10.15058 
1 1 1 -22 21 11 o 54.40608 3.706751 148.5733       19.62210 180.6366       33.77346 132.2355       24.10845 58.92385 5.936532 50.83590 4.905859 8.087959       7.701289 
1 1 1 -22 21 12 o 31.78370 5.616222 53.19507       16.83365 48.25520       29.08474 55.68342       20.64252 29.26225 9.147794 32.07026 6.787802 -2.808008      11.39107 
1 1 1 -22 21 13 o 18.73093 6.823455 16.01179       16.22230 -4.051737      27.84187 26.32413       19.96058 17.92986 7.956645 22.54946 7.617771 -4.619604      11.01538 
1 1 1 -22 21 14 o 43.71037 4.431138 97.42645       18.69693 125.2171       31.88299 82.86028       23.08250 48.32087 6.939765 39.54127 6.164822 8.779602       9.282530 
1 1 1 -22 21 15 o 15.20597 6.404728 3.319351       16.24708 -12.29230      27.34124 11.84122       20.20046 16.54463 7.560804 18.53727 7.393816 -1.992641      10.57517 
1 1 1 -22 21 16 o 12.86845 5.868594 -8.420537      16.36171 -43.32794      26.61576 12.78448       20.74433 13.05143 6.369522 18.86437 7.503072 -5.812940      9.842098 
1 1 1 -22 21 17 o 24.52587 6.959703 33.13554       17.47960 46.66308       27.74677 24.23454       22.50726 28.48388 8.939346 22.08639 8.038563 6.397482       12.02208 
1 1 1 -22 21 18 o 12.66934 5.834844 -10.35905      16.71722 -21.86958      25.95336 -2.196886      21.85488 14.79760 6.964515 16.07073 7.094450 -1.273132      9.941614 
1 1 1 -22 21 19 o 20.75826 7.156541 22.36302       17.63311 31.63128       27.14778 15.59955       23.19103 24.35829 8.833827 19.95002 7.933758 4.408270       11.87354 
1 1 1 -22 21 20 o 65.65766 3.723739 218.0968       23.83344 217.6949       36.84286 218.3861       31.25372 64.01940 5.947446 64.89610 4.957661 -0.8767014     7.742772 
1 1 1 -22 21 21 f 15.76970 6.637763 4.787453       17.43249 -16.06109      25.55399 22.93536       23.84152 15.19613 7.073070 21.63149 8.195921 -6.435358      10.82596 
1 1 1 -22 21 22 o 38.47489 5.636761 79.27197       20.59871 76.08480       30.31926 82.00425       28.07228 35.63781 8.755652 37.70640 7.861080 -2.068588      11.76682 
1 1 1 -22 21 23 o 17.76598 7.144477 11.46823       19.02108 28.71728       26.22794 -7.669051      27.62623 23.21054 8.637747 16.85340 7.662511 6.357134       11.54663 
1 1 1 -22 21 24 o 30.77650 7.126873 54.09636       21.04642 39.36176       28.14423 72.78977       31.70037 25.84960 9.034079 34.28930 9.238511 -8.439707      12.92148 
1 1 1 -22 21 25 o 39.75919 6.350044 87.10912       23.88176 65.42574       28.59582 137.1000       43.41946 32.72880 8.755350 46.81262 9.791069 -14.08382      13.13473 
1 1 1 -22 21 26 o 15.40709 6.752061 0.3187464      19.46624 14.52165       26.96058 -15.14942      28.13585 20.09074 8.340550 15.95481 7.424710 4.135936       11.16652 
1 1 1 -22 21 27 o 42.24911 5.357771 95.50317       21.65930 76.17976       30.16828 116.0590       31.11544 35.21841 8.781842 45.11194 7.295476 -9.893528      11.41686 
1 1 1 -22 21 28 o 41.57330 5.822418 94.09162       23.04450 25.59000       34.41199 149.7886       31.02953 23.13484 9.495386 52.26271 6.185400 -29.12787      11.33232 
1 1 1 -22 21 29 o 20.08347 7.488907 20.83783       19.73419 6.552900       27.61393 35.74868       28.21241 18.64147 8.107938 24.53824 8.989125 -5.896767      12.10550 
1 1 1 -22 21 30 o 36.77979 5.963557 74.72359       20.73484 49.76319       29.65568 98.59609       29.00221 27.87825 9.283749 41.10015 7.484774 -13.22190      11.92518 
1 1 1 -22 21 31 o 19.31217 7.384898 18.49753       19.46837 31.94733       27.58868 5.156852       27.47653 23.45457 8.832086 18.27289 8.014532 5.181677       11.92638 
1 1 1 -22 21 32 o 19.05923 7.352469 17.79442       19.41483 29.76004       27.16339 5.297631       27.75976 22.83085 8.724918 18.29047 8.037919 4.540382       11.86307 
1 1 1 -22 21 33 o 22.32596 7.522585 29.45652       19.46490 44.98869       27.12659 12.97092       27.94677 26.41381 8.880430 19.47325 8.308937 6.940563       12.16143 
1 1 1 -22 21 34 o 14.25881 6.422615 -3.342957      18.87670 2.054243       26.02304 -9.336636      27.42335 17.21879 7.663715 16.03220 7.415447 1.186592       10.66402 
1 1 1 -22 21 35 o 31.60194 6.772050 58.65223       20.31783 52.64352       28.54176 64.82538       28.92967 28.02812 9.096380 31.24878 8.981651 -3.220661      12.78336 
1 1 1 -22 21 36 o 17.14484 7.113821 10.50653       19.59850 26.52993       28.38547 -4.090534      27.09265 21.90885 8.755966 16.56520 7.553415 5.343657       11.56378 
1 1 1 -22 21 37 o 20.31564 7.565622 23.15045       20.12779 12.65057       29.58402 32.19942       27.46406 19.47696 8.432161 22.96603 8.773933 -3.489063      12.16895 
1 1 1 -22 21 38 o 25.30804 8.415349 41.28447       24.36911 32.01414       30.34556 58.12000       40.89413 23.01815 9.100461 27.87112 10.69175 -4.852968      14.04036 
1 1 1 -22 21 39 o 19.95320 7.678634 21.61061       21.13895 41.98169       30.37150 2.469641       29.44023 25.07092 9.301702 17.88564 8.041557 7.185289       12.29587 
1 1 1 -22 21 40 o 19.65288 7.849418 19.60839       22.79749 45.67000       35.96618 2.104922       29.47513 25.64038 9.975393 17.82378 8.027233 7.816601       12.80410 
1 1 1 -22 21 41 o 25.01814 7.791595 39.68903       21.12127 22.69290       30.12588 56.11970       29.62050 21.03918 8.781989 28.37236 9.270779 -7.333178      12.76991 
1 1 1 -22 21 42 o 21.13901 7.741910 26.63068       20.92469 20.85384       29.80334 32.24650       29.38504 20.64929 8.684646 22.77653 8.970654 -2.127239      12.48582 
1 1 1 -22 21 43 o 16.18288 7.052759 5.337720       20.98301 -1.808324      29.38149 12.77606       29.97637 17.08977 7.820467 19.22132 8.402321 -2.131554      11.47862 
1 1 1 -22 21 44 o 32.34647 7.241319 64.76430       22.35487 73.36492       31.39047 55.91362       31.84353 31.93759 9.407248 27.46778 9.608787 4.469807       13.44712 
1 1 1 -22 21 45 o 15.55474 6.964077 1.550723       21.82436 -5.422348      30.36305 9.004054       31.39124 16.61765 7.726329 18.57915 8.332531 -1.961496      11.36342 
1 1 1 -22 21 46 o 15.37154 6.929894 0.6021711      22.03152 -33.25378      30.14089 39.44368       32.28395 13.89469 6.780436 23.37202 9.338851 -9.477335      11.54073 
1 1 1 -22 22 1  o 44.73474 5.500349 103.7284       23.57829 144.5000       56.66181 95.19000       25.92992 48.48433 12.00376 42.39598 6.451614 6.088352       13.62768 
1 1 1 -22 22 2  o 36.32741 6.605254 70.57491       22.62222 10.79000       54.08899 83.25000       24.90512 25.90645 11.30638 39.48998 6.681137 -13.58354      13.13285 
1 1 1 -22 22 3  o 44.34726 4.183818 99.61756       17.94661 83.66654       34.24805 105.6557       21.07134 38.26035 9.248238 45.44245 4.810168 -7.182098      10.42438 
1 1 1 -22 22 4  o 41.10437 4.289139 85.85579       17.00333 71.03574       31.79918 91.78963       20.12143 35.25681 9.139607 42.26227 4.958251 -7.005463      10.39792 
1 1 1 -22 22 5  o 52.37880 3.917922 138.1562       19.94158 106.5000       40.90432 148.0258       22.83963 42.81062 9.950960 54.05221 4.353675 -11.24159      10.86168 
1 1 1 -22 22 6  o 48.36036 4.126009 118.2617       19.34469 99.34000       38.93561 124.4634       22.29054 41.40919 9.765714 49.40474 4.664637 -7.995552      10.82257 
1 1 1 -22 22 7  o 19.53173 6.806299 18.60547       15.96853 -10.03000      33.05773 27.32079       18.23739 18.69312 8.452266 22.72464 7.261840 -4.031519      11.14339 
1 1 1 -22 22 8  o 28.75149 6.019247 44.16692       16.39560 28.58797       29.41921 51.18561       19.74648 24.40667 9.135139 30.72425 6.750761 -6.317574      11.35885 
1 1 1 -22 22 9  o 57.71979 3.628933 167.1137       20.39888 152.9514       34.67162 174.6112       25.22710 53.64646 6.752003 58.66329 4.425985 -5.016827      8.073344 
1 1 1 -22 22 10 o 27.45153 6.458500 40.80793       17.06238 13.15000       33.41111 50.56572       19.84525 22.10543 9.239322 30.47808 6.822538 -8.372654      11.48530 
1 1 1 -22 22 11 o 38.05707 5.676380 76.06059       20.49958 98.14394       30.62811 58.14000       27.59077 42.24441 7.690269 31.93952 8.624726 10.30489       11.55535 
1 1 1 -22 22 12 o 34.21843 5.280217 61.26896       17.11714 56.31385       29.92905 63.67762       20.86675 31.18903 9.185364 34.39488 6.434518 -3.205845      11.21490 
1 1 1 -22 22 13 o 44.90009 4.399004 102.9999       19.08555 59.66530       31.67697 127.6959       23.91330 31.87972 9.465533 49.75718 4.976664 -17.87745      10.69409 
1 1 1 -22 22 14 o 50.97408 4.143723 132.0388       20.49687 124.1936       33.25491 136.8450       26.02885 47.61518 7.373308 51.33876 5.253692 -3.723579      9.053560 
1 1 1 -22 22 15 o 41.99365 4.741528 91.07407       19.14941 52.85741       29.83069 117.8608       24.97451 30.01689 9.244949 47.44193 5.478626 -17.42505      10.74637 
1 1 1 -22 22 16 o 20.39351 7.079099 21.28920       17.26575 29.07410       27.73209 16.36158       22.06351 23.86011 8.881495 19.91319 7.794042 3.946915       11.81643 
1 1 1 -22 22 17 o 37.89502 5.263275 75.56693       18.99662 101.4684       30.12725 58.47211       24.47539 42.62936 7.493507 31.94586 7.877562 10.68350       10.87238 
1 1 1 -22 22 18 o 37.95898 5.287794 76.06564       19.11437 54.49791       29.70270 91.31057       24.97217 30.11830 9.215688 40.97572 6.438286 -10.85742      11.24191 
1 1 1 -22 22 19 o 13.93775 6.233771 -4.198210      17.43925 -8.169834      27.01260 -1.359833      22.83586 16.67239 7.578929 16.38050 7.240625 0.2918930      10.48174 
1 1 1 -22 22 20 o 45.62530 4.729100 108.3862       20.81393 93.81126       31.31492 119.9209       27.85807 40.08705 8.255742 47.05165 6.199503 -6.964596      10.32430 
1 1 1 -22 22 21 o 42.10187 5.161410 93.58762       20.82599 114.4067       31.29608 77.04130       27.90034 45.05076 7.350317 36.31814 8.059024 8.732616       10.90757 
1 1 1 -22 22 22 o 28.56913 7.173066 46.80398       20.02726 50.90231       28.31446 42.70079       28.33121 28.86578 9.026141 26.70577 9.075130 2.160009       12.79958 
1 1 1 -22 22 23 o 61.55552 4.858373 198.1477       29.03561 219.5723       36.18312 159.4000       48.66016 63.91998 5.847853 50.01674 10.28296 13.90324       11.82948 
1 1 1 -22 22 24 o 29.48015 7.918583 51.58542       23.33248 47.78687       27.97359 60.27000       42.29737 27.88617 9.001735 30.07923 11.00861 -2.193060      14.22043 
1 1 1 -22 22 25 o 32.63311 6.749250 60.32574       20.84657 61.62278       28.38497 58.80695       30.71579 31.53653 8.841173 30.44302 9.381971 1.093504       12.89138 
1 1 1 -22 22 26 o 51.25464 6.690914 146.4691       32.76733 0.000000       0.000000 146.4691       32.76733 ?        ?        51.25464 6.690914 ?              ?        
1 1 1 -22 22 27 o 35.18213 6.787776 70.30673       22.52830 56.67000       33.67045 81.35952       30.31304 29.44093 9.893715 36.40529 8.637548 -6.964357      13.13365 
1 1 1 -22 22 28 o 28.71563 7.120926 48.21081       19.91637 11.47976       27.56903 88.30501       28.80352 19.42630 8.269573 38.50171 7.907772 -19.07540      11.44197 
1 1 1 -22 22 29 o 16.70684 7.264946 3.779137       22.16052 -11.24058      26.46379 39.03000       40.54208 15.72867 7.278391 25.57222 10.37775 -9.843554      12.67567 
1 1 1 -22 22 30 o 16.32591 7.317877 -1.762158      24.17459 -72.45000      55.45879 14.82008       26.86084 17.82503 8.797349 19.77771 8.276609 -1.952684      12.07873 
1 1 1 -22 22 31 o 24.39301 7.536342 35.79641       19.80481 34.54004       27.76875 37.09708       28.25401 23.89801 8.888955 24.50603 8.992730 -0.6080132     12.64447 
1 1 1 -22 22 32 o 24.84435 7.479393 37.47683       19.67398 37.90209       27.77239 37.04844       27.87432 24.53422 8.929438 24.33031 8.931462 0.2039108      12.62956 
1 1 1 -22 22 33 o 14.04685 6.347948 -3.989013      18.61639 -15.64848      25.54998 9.206305       27.18073 14.73258 6.926507 18.58961 8.065063 -3.857027      10.63117 
1 1 1 -22 22 34 o 15.60479 6.758766 4.045850       19.02393 17.16376       26.31341 -10.31939      27.53603 19.76207 8.224949 15.86748 7.370825 3.894596       11.04440 
1 1 1 -22 22 35 o 18.82611 7.306017 17.80104       19.25547 20.44153       26.93457 15.04087       27.53816 20.50939 8.407316 19.59180 8.299440 0.9175949      11.81371 
1 1 1 -22 22 36 o 29.69505 6.984333 52.78371       19.95841 48.65223       28.60657 56.70213       27.85918 26.84405 9.119166 29.08843 8.929738 -2.244387      12.76321 
1 1 1 -22 22 37 o 16.88079 7.256693 7.267262       21.61035 3.566480       27.22536 13.57000       35.52970 17.57629 7.829801 20.48016 9.043125 -2.903866      11.96177 
1 1 1 -22 22 38 o 17.04222 7.114575 10.33811       19.77601 9.757293       27.54739 10.95577       28.40744 18.56230 8.085507 18.91339 8.224936 -0.3510895     11.53365 
1 1 1 -22 22 39 f 24.75791 8.082319 39.13242       22.51541 23.50000       34.21377 51.07380       29.90302 21.67677 9.219450 27.17094 9.321362 -5.494173      13.11053 
1 1 1 -22 22 40 o 15.33393 6.811109 0.9735791      20.45048 -19.56211      29.12202 20.95280       28.72475 15.15032 7.203195 20.55304 8.576921 -5.402728      11.20043 
1 1 1 -22 22 41 o 15.60127 6.856377 3.008900       20.20013 -0.5490015E-01 28.48662 6.107659       28.64868 17.19435 7.803104 18.08426 8.045460 -0.8899059     11.20794 
1 1 1 -22 22 42 o 26.64148 7.722044 45.42652       21.30075 29.03582       29.84441 62.44571       30.41121 21.99325 8.911745 29.58359 9.368635 -7.590336      12.93022 
1 1 1 -22 22 43 o 18.47600 7.483665 16.87578       21.03660 24.26614       29.30881 9.022776       30.21225 20.90030 8.688073 18.56890 8.261519 2.331404       11.98897 
1 1 1 -22 22 44 o 17.30076 7.325601 11.68747       21.43858 5.420574       29.70009 18.50514       30.97771 17.81981 8.038723 19.89520 8.620824 -2.075392      11.78727 
1 1 1 -22 22 45 o 22.45207 8.022941 33.38684       22.29587 27.48583       30.73382 39.94253       32.39388 21.23357 8.867167 23.53860 9.371525 -2.305031      12.90163 
1 1 1 -22 23 1  o 50.46408 5.188501 131.3055       25.26420 118.4727       36.75416 142.8000       34.78505 46.06401 8.463304 51.58072 7.075985 -5.516705      11.03164 
1 1 1 -22 23 2  o 102.9985 3.692105 531.4690       37.16275 607.0000       84.13465 513.1605       41.42265 105.4535 8.215723 100.8618 4.204929 4.591751       9.229276 
1 1 1 -22 23 3  o 37.11198 5.339413 71.78434       18.83854 112.5000       64.06724 67.93083       19.70987 41.06483 13.64461 35.88993 5.808909 5.174900       14.82966 
1 1 1 -22 23 4  o 46.22255 4.869340 109.7197       21.70021 0.000000       0.000000 109.7197       21.70021 ?        ?        46.22255 4.869340 ?              ?        
1 1 1 -22 23 5  o 40.85920 4.670039 85.65710       18.34233 31.17000       40.11283 100.0620       20.62491 26.30505 10.44292 44.11860 4.856216 -17.81355      11.51683 
1 1 1 -22 23 6  o 40.95291 4.472982 85.77012       17.63913 73.12770       33.89524 90.46549       20.65660 35.33552 9.567010 41.78423 5.160090 -6.448711      10.86988 
1 1 1 -22 23 7  o 11.91805 5.497836 -10.14017      14.92864 -17.08738      28.95419 -7.624599      17.42306 16.47480 7.619973 13.49884 6.116673 2.975964       9.771268 
1 1 1 -22 23 8  o 13.31188 5.900210 -3.403457      15.26415 16.49614       28.36946 -11.51159      18.10879 21.49449 8.696309 13.15816 6.064608 8.336338       10.60213 
1 1 1 -22 23 9  o 14.95505 6.304194 3.170959       15.76164 -37.08503      28.19280 21.47382       19.01002 14.12961 6.814690 20.82418 7.411793 -6.694570      10.06850 
1 1 1 -22 23 10 o 32.50197 5.519982 55.88429       16.93368 43.58150       28.69645 62.45701       20.97485 27.69486 9.129156 33.92475 6.553730 -6.229895      11.23801 
1 1 1 -22 23 11 o 50.61119 5.567363 134.0892       27.12555 109.4000       38.75506 157.8000       37.97935 43.14648 9.439582 53.67074 7.428352 -10.52426      12.01192 
1 1 1 -22 23 12 o 93.44328 3.590003 438.8405       32.77483 402.3000       59.29159 454.9186       39.32989 86.27237 7.083594 94.64248 4.256407 -8.370110      8.264037 
1 1 1 -22 23 13 o 40.43449 5.607756 86.43916       21.59795 73.65038       30.48949 99.32000       30.59903 35.44044 8.823447 42.10517 7.708457 -6.664726      11.71638 
1 1 1 -22 23 14 o 15.19121 6.462382 2.856192       16.81634 -20.19375      26.65238 18.10149       21.67550 15.17466 7.115324 20.21090 7.776078 -5.036234      10.54017 
1 1 1 -22 23 15 o 18.80567 7.049781 16.18076       17.53498 27.85655       28.41485 8.999691       22.28419 23.52374 8.939485 18.23185 7.576999 5.291893       11.71859 
1 1 1 -22 23 16 o 21.12302 7.186147 23.78380       17.76506 49.90814       28.29626 6.787109       22.82383 28.90046 9.021173 17.87993 7.564132 11.02053       11.77275 
1 1 1 -22 23 17 o 35.47095 5.655279 67.56253       18.97628 54.87799       29.28124 76.74766       24.91694 30.04361 9.141692 36.94115 7.149397 -6.897539      11.60536 
1 1 1 -22 23 18 o 23.74234 7.298619 31.90635       18.60316 53.94022       28.25057 15.03659       24.71931 29.81599 8.959567 19.91800 8.095942 9.897985       12.07552 
1 1 1 -22 23 19 o 15.96245 6.764224 4.607738       18.30267 24.37562       27.24536 -11.64969      24.70804 22.32333 8.682949 15.40369 7.093943 6.919635       11.21239 
1 1 1 -22 23 20 o 14.66435 6.497814 -2.100439      18.49982 -19.77339      27.07392 13.37850       25.33770 15.16712 7.130579 19.63408 8.112266 -4.466955      10.80065 
1 1 1 -22 23 21 o 50.41398 4.614549 132.3837       22.51894 145.6590       33.17343 121.0386       30.66721 51.20480 6.785579 46.49520 6.951522 4.709599       9.714307 
1 1 1 -22 23 22 o 20.23793 7.880336 19.14573       22.46041 -7.530115      27.35641 74.32000       39.34307 16.67200 7.597482 33.25429 10.66998 -16.58229      13.09848 
1 1 1 -22 23 23 o 31.00478 7.934847 57.27380       24.17874 72.02695       29.40725 26.49000       42.47890 34.23497 8.745163 24.29056 10.29966 9.944407       13.51151 
1 1 1 -22 23 24 o 44.12179 5.179078 103.6450       21.94187 86.23985       30.23060 123.0224       31.89743 37.83840 8.383039 46.44529 7.253294 -8.606888      11.08538 
1 1 1 -22 23 25 o 38.81752 6.333910 83.78391       23.23699 74.47000       34.89491 91.20482       31.14758 33.63478 9.921453 38.81460 8.439399 -5.179825      13.02531 
1 1 1 -22 23 26 f 28.06745 7.535983 46.85138       21.13762 43.03020       29.64155 50.80508       30.15119 26.25989 9.263893 28.15441 9.360584 -1.894524      13.16967 
1 1 1 -22 23 27 o 31.31117 6.991712 56.86017       20.88602 33.60783       28.95730 82.07338       30.15358 23.98748 9.045071 36.42028 8.597392 -12.43280      12.47912 
1 1 1 -22 23 28 o 24.64256 8.195660 36.92069       23.11311 45.37724       27.92126 18.51000       41.19774 26.70458 9.009681 22.52086 9.847323 4.183722       13.34706 
1 1 1 -22 23 29 o 31.47572 6.784607 57.31636       20.28643 46.66208       28.89881 67.66725       28.48438 26.92176 9.165318 32.64970 8.740095 -5.727940      12.66461 
1 1 1 -22 23 30 o 15.60868 6.762844 3.429281       19.06053 -15.08809      26.66256 22.78389       27.25865 15.20311 7.124824 21.22707 8.546995 -6.023965      11.12718 
1 1 1 -22 23 31 o 23.00221 7.475958 31.87747       19.27483 41.43150       27.27900 22.35180       27.23849 25.33654 8.891244 20.99828 8.511889 4.338261       12.30880 
1 1 1 -22 23 32 o 24.28513 7.540922 36.09473       19.80025 53.20461       27.89384 18.71743       28.11098 28.30023 8.973769 20.36954 8.491371 7.930687       12.35443 
1 1 1 -22 23 33 o 26.58307 7.378179 43.31106       19.87519 57.21179       27.94212 29.07578       28.27637 29.26598 8.935209 22.33571 8.798952 6.930267       12.54032 
1 1 1 -22 23 34 o 13.02375 6.033098 -9.404403      18.25485 -11.26397      25.00779 -7.283298      26.70856 15.03767 6.998556 16.01542 7.375621 -0.9777555     10.16757 
1 1 1 -22 23 35 o 20.45190 7.433545 24.04382       19.23767 29.15406       27.26412 18.97679       27.14859 22.20617 8.672053 20.13117 8.364504 2.074999       12.04863 
1 1 1 -22 23 36 o 24.33817 8.077979 37.56760       22.45681 35.85359       28.35829 40.45000       36.77489 23.70175 8.948005 24.69374 9.932822 -0.9919891     13.36891 
1 1 1 -22 23 37 o 15.43855 6.740915 3.256821       19.24525 3.300126       27.51661 3.215353       26.92676 17.54421 7.839756 17.40090 7.766896 0.1433048      11.03569 
1 1 1 -22 23 38 o 27.99337 7.940745 49.97847       22.75900 70.32000       35.58302 35.89583       29.60690 30.82781 10.16589 23.63921 9.089907 7.188601       13.63714 
1 1 1 -22 23 39 o 14.01480 6.434373 -6.493741      20.10989 2.121290       28.20014 -15.40784      28.68545 17.43793 7.852732 15.43924 7.283505 1.998684       10.71050 
1 1 1 -22 23 40 o 21.16849 7.719753 26.94835       20.77202 41.08606       29.52044 13.08386       29.23380 24.59920 9.162073 19.21767 8.350616 5.381531       12.39663 
1 1 1 -22 23 41 f 25.74744 7.816463 42.74992       21.42374 39.01767       30.25693 46.50239       30.33873 23.99528 9.198757 25.64833 9.333195 -1.653051      13.10441 
1 1 1 -22 23 42 o 11.98683 5.765720 -21.00966      19.86362 -22.68274      27.54074 -19.19575      28.67649 14.25703 6.839821 14.89336 7.099834 -0.6363297     9.858540 
1 1 1 -22 23 43 o 36.64410 6.524694 80.15819       22.54491 94.97107       31.40932 64.41614       32.37944 37.28651 8.756294 29.03651 9.701429 8.249994       13.06868 
1 1 1 -22 23 44 o 16.99981 7.227204 10.99795       21.00939 6.738423       28.58395 16.00299       30.98457 17.69894 7.943430 19.38786 8.506960 -1.688919      11.63901 
1 1 1 -22 24 1  f 25.08388 6.479847 34.42598       16.02177 13.31213       33.72280 40.58121       18.20799 21.96201 9.237490 27.11663 6.856869 -5.154615      11.50425 
1 1 1 -22 24 2  o 21.89387 8.266193 22.39230       24.20249 -50.74000      41.15001 61.07000       29.92579 16.91763 8.177459 32.30377 9.085703 -15.38614      12.22378 
1 1 1 -22 24 3  o 87.54649 4.154308 388.1461       35.49792 0.000000       0.000000 388.1461       35.49792 ?        ?        87.54649 4.154308 ?              ?        
1 1 1 -22 24 4  o 63.54668 4.378569 205.7045       27.06876 0.000000       0.000000 205.7045       27.06876 ?        ?        63.54668 4.378569 ?              ?        
1 1 1 -22 24 5  o 42.26302 4.989351 92.66428       20.24263 18.00000       55.88563 103.9396       21.71737 26.28801 11.48238 44.76107 5.044541 -18.47306      12.54163 
1 1 1 -22 24 6  o 36.56857 5.652572 70.81155       19.58116 76.36000       55.19094 70.01256       20.94362 34.35314 12.57469 36.12057 6.143423 -1.767437      13.99516 
1 1 1 -22 24 7  o 25.42193 6.819435 35.75086       17.31874 -8.299706      30.27398 57.17965       21.11508 17.83816 8.074885 32.18610 6.908867 -14.34794      10.62715 
1 1 1 -22 24 8  o 48.90905 4.295412 122.2595       20.35500 73.33580       34.02815 149.5197       25.40053 34.89143 9.642660 53.80514 4.875829 -18.91371      10.80530 
1 1 1 -22 24 9  o 33.52830 5.637265 59.89714       17.84482 42.50984       30.64697 68.81593       21.94948 27.24611 9.432863 35.51820 6.554879 -8.272093      11.48675 
1 1 1 -22 24 10 o 36.77607 5.238237 71.17313       18.32386 78.76538       32.54481 67.64922       22.17221 36.36732 9.151234 35.09689 6.698367 1.270432       11.34078 
1 1 1 -22 24 11 o 14.56680 6.262443 1.355937       16.09666 -28.56491      28.50057 15.37049       19.50546 14.89028 7.092662 19.02758 7.361739 -4.137301      10.22258 
1 1 1 -22 24 12 o 34.94659 5.479815 64.98446       18.12882 57.76547       30.96012 68.75117       22.36378 30.88034 9.400885 35.29728 6.718234 -4.416937      11.55471 
1 1 1 -22 24 13 o 65.70669 3.876250 219.3591       24.81954 191.1000       45.14442 231.6009       29.71302 57.81420 8.207838 67.05927 4.553712 -9.245075      9.386421 
1 1 1 -22 24 14 o 49.06833 4.417944 124.2399       20.99216 85.22763       31.98435 153.7621       27.82343 37.75395 8.815723 54.01630 5.331806 -16.26235      10.30268 
1 1 1 -22 24 15 o 28.58979 7.639799 47.39061       21.78772 25.54302       28.76790 76.78000       33.36581 22.81971 8.909058 35.20398 9.475104 -12.38428      13.00573 
1 1 1 -22 24 16 o 32.04431 6.359115 56.79385       19.24178 55.12668       29.41078 58.04149       25.44251 29.98402 9.169464 31.30723 8.204792 -1.323214      12.30438 
1 1 1 -22 24 17 o 13.15068 6.044958 -9.457324      17.82345 -19.35933      26.51615 -1.296008      24.07293 15.03991 7.066367 16.68129 7.400770 -1.641376      10.23254 
1 1 1 -22 24 18 o 18.76347 7.228702 15.86172       18.74875 33.12102       27.60575 1.084635       25.54362 24.25373 8.890804 17.45970 7.690243 6.794029       11.75526 
1 1 1 -22 24 19 o 14.93603 6.589396 -1.051144      18.82588 7.067579       27.71732 -8.004100      25.65028 18.94930 8.182677 16.10698 7.346447 2.842323       10.99666 
1 1 1 -22 24 20 o 12.44048 5.910090 -19.40164      19.52694 -0.1001155     27.45741 -39.15349      27.77587 17.72989 7.882785 13.49681 6.569036 4.233081       10.26112 
1 1 1 -22 24 21 o 14.25330 6.610468 -12.45433      22.01361 -10.08234      27.70063 -16.52000      36.26589 16.39358 7.535766 17.93701 8.374508 -1.543425      11.26588 
1 1 1 -22 24 22 o 12.03487 5.758239 -21.61024      19.23242 16.33092       27.32184 -58.87529      27.07731 20.40588 8.426827 11.84259 5.896546 8.563284       10.28497 
1 1 1 -22 24 23 o 43.23954 5.336728 100.2555       22.10839 97.75607       31.72214 102.6163       30.82895 40.34264 8.310003 41.80076 7.822190 -1.458118      11.41240 
1 1 1 -22 24 24 o 16.81293 7.144560 6.433892       20.51587 -2.002000      30.42728 13.46606       27.78065 18.05486 8.141393 19.85099 8.368858 -1.796131      11.67562 
1 1 1 -22 24 25 o 44.48602 5.202258 106.1264       22.22554 67.59554       31.15289 146.0680       31.71804 32.26867 9.334356 51.10606 6.486480 -18.83738      11.36682 
1 1 1 -22 24 26 o 23.50702 8.262274 32.79902       23.56243 8.552032       28.21119 88.73000       42.84682 18.97034 8.223447 34.94137 11.12691 -15.97103      13.83594 
1 1 1 -22 24 27 o 29.05898 8.584627 53.43432       26.10862 45.57000       57.69936 55.45913       29.27739 26.97048 11.72545 29.15337 9.187177 -2.182888      14.89598 
1 1 1 -22 24 28 o 19.33525 7.359126 19.07946       19.27472 -13.21446      26.73342 54.04168       27.81593 15.46289 7.209681 28.85699 8.934170 -13.39409      11.48037 
1 1 1 -22 24 29 o 32.61290 6.644889 61.62424       20.49119 44.15668       29.02078 78.99139       28.93723 26.00772 9.167116 35.37106 8.470078 -9.363344      12.48112 
1 1 1 -22 24 30 o 24.02886 7.525721 35.28197       19.67530 35.13731       27.66072 35.43011       27.99239 23.73985 8.863494 23.81144 8.911165 -0.7159233E-01 12.56863 
1 1 1 -22 24 31 o 26.21603 7.364858 42.06855       19.67538 41.76358       28.19686 42.35795       27.46783 25.22814 9.021544 25.41401 8.921690 -0.1858711     12.68798 
1 1 1 -22 24 32 o 16.91555 6.972776 10.71726       18.66110 24.34203       26.30152 -3.094042      26.48096 21.15802 8.437583 16.47576 7.495182 4.682261       11.28586 
1 1 1 -22 24 33 o 13.97795 6.335019 -4.265726      18.70028 -2.490385      25.95683 -6.181557      26.96431 16.43167 7.453651 16.20168 7.442920 0.2299938      10.53347 
1 1 1 -22 24 34 o 32.36329 6.615259 61.47345       20.24771 56.73262       28.21313 66.50852       29.07551 28.91576 9.005128 31.39789 8.997905 -2.482134      12.73007 
1 1 1 -22 24 35 o 22.64684 7.966608 31.73703       21.90947 19.72281       27.36515 53.19000       36.56737 20.24039 8.402806 27.01152 10.16893 -6.771124      13.19144 
1 1 1 -22 24 36 o 15.45304 6.692088 4.301325       18.64508 8.601366       26.27010 -0.6350612E-01 26.46727 18.07743 7.884719 16.79931 7.582550 1.278124       10.93910 
1 1 1 -22 24 37 o 19.73904 7.605315 21.26220       20.75474 -7.408000      31.48635 43.29088       27.59950 17.02551 7.899506 25.37692 8.940244 -8.351418      11.93022 
1 1 1 -22 24 38 o 28.53617 7.419796 50.74406       20.91550 89.03951       29.33884 11.16861       29.82512 37.23045 8.266240 19.02489 8.347030 18.20555       11.74749 
1 1 1 -22 24 39 o 24.67094 7.710314 38.75972       20.66372 60.42462       28.96022 16.29053       29.49289 29.44069 9.116284 19.74315 8.482177 9.697544       12.45207 
1 1 1 -22 24 40 o 14.48629 6.534969 -2.004298      19.62805 -3.363544      27.07140 -0.4977860     28.50020 16.32330 7.483558 17.02078 7.755749 -0.6974792     10.77754 
1 1 1 -22 24 41 o 19.27248 7.498449 20.68802       20.32354 22.57357       28.54045 18.74829       28.94752 20.47443 8.547135 19.84686 8.462011 0.6275711      12.02743 
1 1 1 -22 24 42 o 20.94349 7.683115 27.48618       20.62149 34.37026       28.01559 19.34601       30.46445 22.58451 8.799081 19.92987 8.592181 2.654636       12.29835 
1 1 1 -22 24 43 o 13.48815 6.289085 -8.976396      20.34404 -23.75134      27.50198 8.878887       30.23321 13.98263 6.740517 18.23416 8.177633 -4.251531      10.59756 
1 1 1 -22 25 1  o 56.14990 5.643206 166.1542       30.59556 118.9000       48.63631 197.1000       39.35879 42.82333 11.40147 60.27565 6.788985 -17.45232      13.26966 
1 1 1 -22 25 2  o 53.95400 5.803619 154.1414       30.16850 126.9000       47.94218 172.0000       38.81749 44.67843 11.02986 55.88042 7.268890 -11.20199      13.20964 
1 1 1 -22 25 3  o 15.85650 6.518304 6.571877       16.24916 -14.57610      32.60020 13.56266       18.74343 17.62727 8.128971 18.38143 7.186882 -0.7541561     10.85041 
1 1 1 -22 25 4  f 20.27825 6.924789 21.42686       16.49886 43.61111       32.47593 13.70924       19.15493 27.43567 9.695088 18.51444 7.257550 8.921225       12.11061 
1 1 1 -22 25 5  o 26.90052 7.151418 40.77661       19.15270 -34.59000      54.21859 51.52214       20.47259 20.82176 9.879122 30.32339 7.034001 -9.501629      12.12742 
1 1 1 -22 25 6  o 33.48155 6.516123 61.56953       20.58642 29.19000       58.57594 66.13253       21.98917 27.30750 11.84349 34.60868 6.733514 -7.301180      13.62382 
1 1 1 -22 25 7  o 21.85868 7.549645 25.48635       19.62676 -47.46000      54.85918 36.19375       21.01791 19.99034 9.606783 25.23341 7.758024 -5.243069      12.34817 
1 1 1 -22 25 8  o 38.62267 5.263566 78.78861       19.38159 47.24314       33.68700 94.39772       23.69643 28.12205 9.879591 41.93300 5.939270 -13.81095      11.52741 
1 1 1 -22 25 9  o 45.70762 4.483924 107.9664       19.80315 86.06869       33.88424 119.3259       24.40495 37.66525 9.257504 47.56862 5.333169 -9.903374      10.68382 
1 1 1 -22 25 10 o 16.21094 6.670420 7.323469       17.03773 21.22582       30.76169 1.171561       20.46308 22.29487 9.042660 16.02496 6.974647 6.269905       11.41996 
1 1 1 -22 25 11 o 19.53676 7.097197 19.07996       17.53300 31.86927       30.97352 13.04959       21.26859 24.40377 9.319027 18.71216 7.544308 5.691608       11.99003 
1 1 1 -22 25 12 o 25.71966 7.007331 37.63508       18.11692 -45.50916      30.69975 82.06282       22.44119 14.01488 6.839946 38.83017 6.105642 -24.81528      9.168628 
1 1 1 -22 25 13 o 47.86431 4.454665 118.6191       20.63093 89.21323       33.02288 137.4440       26.42187 38.39424 8.952535 50.93401 5.380924 -12.53977      10.44520 
1 1 1 -22 25 14 o 25.21544 7.185997 36.44777       18.59514 16.24047       28.74749 50.98523       24.38317 20.86829 8.633318 29.27110 8.190025 -8.402815      11.90003 
1 1 1 -22 25 15 o 38.25198 6.003644 79.73312       21.73951 132.4000       37.68524 53.46522       26.61431 47.38543 8.434129 29.67800 8.640222 17.70743       12.07427 
1 1 1 -22 25 16 o 31.16297 7.558649 56.64817       22.81688 33.95428       29.62857 89.72000       35.76723 24.51414 9.169171 37.64757 9.659207 -13.13343      13.31818 
1 1 1 -22 25 17 o 31.35402 6.859624 55.95283       20.46557 72.22735       29.72354 41.28282       28.22030 34.27273 8.811699 26.13961 9.051610 8.133123       12.63241 
1 1 1 -22 25 18 f 39.04273 5.592337 82.32544       20.76219 77.66817       30.77408 86.21633       28.12831 35.48235 8.882109 38.41470 7.748319 -2.932354      11.78679 
1 1 1 -22 25 19 o 19.56005 7.730588 17.09588       21.89052 28.96890       27.54568 -3.255000      36.06322 23.06643 8.793118 19.29356 8.765187 3.772873       12.41561 
1 1 1 -22 25 20 o 68.15259 4.584717 242.1407       30.40653 212.4575       37.66313 297.7000       51.52761 62.20471 6.271191 72.24259 7.390914 -10.03788      9.692959 
1 1 1 -22 25 21 o 18.10771 7.261979 13.19432       19.59506 33.53656       27.46646 -7.890710      27.96342 24.03866 8.858813 16.67816 7.631091 7.360504       11.69240 
1 1 1 -22 25 22 o 19.09035 7.543129 16.35344       20.83716 37.26000       31.12904 -0.6189998     28.04766 24.95731 9.385184 17.64190 7.896939 7.315409       12.26553 
1 1 1 -22 25 23 o 21.89527 7.798771 27.16052       21.05058 41.17000       32.21528 16.72163       27.80854 25.70183 9.571447 20.35494 8.462197 5.346891       12.77581 
1 1 1 -22 25 24 f 42.34160 5.329192 96.82645       21.59876 86.33105       30.72182 107.0840       30.37172 37.28009 8.594963 42.69354 7.543580 -5.413448      11.43586 
1 1 1 -22 25 25 o 42.75682 6.372059 102.8602       25.85482 74.02802       31.72330 159.9000       44.61987 33.59051 9.320802 49.89015 9.483631 -16.29964      13.29724 
1 1 1 -22 25 26 o 14.53441 6.531062 -3.208859      19.38791 -30.76121      27.19494 25.26912       27.64798 13.82242 6.673089 21.85587 8.672033 -8.033449      10.94232 
1 1 1 -22 25 27 o 30.57676 7.047329 55.32269       20.65946 18.98770       28.38141 96.27493       30.13078 20.58895 8.553308 39.67882 8.033816 -19.08987      11.73462 
1 1 1 -22 25 28 o 21.49220 7.525476 27.12364       19.53508 36.76005       28.07430 18.07808       27.20000 24.13191 8.944930 20.12261 8.367644 4.009300       12.24864 
1 1 1 -22 25 29 o 23.40474 7.498376 33.38069       19.43542 28.70232       27.02217 38.39452       27.97420 22.22091 8.646129 24.46034 8.952624 -2.239433      12.44608 
1 1 1 -22 25 30 o 31.85410 6.663340 59.55885       20.10729 49.58407       28.16344 69.92933       28.71662 27.12006 9.047543 32.54551 8.803461 -5.425447      12.62374 
1 1 1 -22 25 31 o 15.23068 6.637786 2.982455       18.58650 6.282610       26.25296 -0.3339997     26.31771 17.78989 7.817371 16.80556 7.575428 0.9843330      10.88570 
1 1 1 -22 25 32 o 32.49761 6.486768 61.47335       19.91090 69.12292       28.46805 54.14791       27.85839 32.34733 8.771823 28.33972 8.965809 4.007610       12.54315 
1 1 1 -22 25 33 o 16.59953 7.156285 6.683044       21.13236 8.310997       26.17575 3.636000       35.81110 18.02545 7.866144 19.18069 8.721974 -1.155245      11.74517 
1 1 1 -22 25 34 o 17.76679 7.408500 12.33090       21.40737 4.133507       26.46104 27.86000       36.42020 17.39412 7.735675 22.46592 9.531898 -5.071806      12.27590 
1 1 1 -22 25 35 o 23.93588 7.514346 35.69481       19.60423 26.42610       27.76025 44.91603       27.68903 21.53338 8.640910 25.76538 8.963554 -4.231993      12.45033 
1 1 1 -22 25 36 o 19.74831 7.587998 21.46287       20.62055 25.86000       31.51060 18.16949       27.27051 21.69817 9.013171 19.85598 8.326454 1.842182       12.27058 
1 1 1 -22 25 37 o 15.04128 6.618125 2.240967       18.87210 -16.37092      26.40192 21.68546       26.98600 14.67028 6.940812 20.38266 8.391778 -5.712384      10.89022 
1 1 1 -22 25 38 o 13.92834 6.361218 -5.037240      19.31446 -3.754135      26.81683 -6.420276      27.84153 16.25759 7.451516 16.17369 7.477680 0.8389473E-01  10.55655 
1 1 1 -22 25 39 o 14.76438 6.598312 0.1756041E-01  19.49777 -37.85027      26.94393 41.64692       28.25047 12.83214 6.293158 24.55613 8.995265 -11.72399      10.97810 
1 1 1 -22 25 40 o 18.28358 7.351353 16.88168       20.13484 40.54259       27.93324 -8.708061      29.04949 24.14305 8.927296 16.02808 7.487165 8.114973       11.65136 
1 1 1 -22 25 41 o 24.71593 7.734859 40.35740       20.78819 29.63958       28.67867 52.22388       30.17635 21.57136 8.737719 26.40775 9.344275 -4.836386      12.79309 
1 1 1 -22 25 42 o 15.45182 6.861801 3.238514       20.74330 32.37860       27.90126 -32.77148      31.01630 21.97172 8.713697 14.12993 6.891493 7.841791       11.10951 
1 1 1 -22 26 1  o 47.48526 6.558197 123.5816       29.66943 63.29000       45.43629 168.4000       39.17445 31.04449 11.40193 54.66305 7.520668 -23.61856      13.65886 
1 1 1 -22 26 2  o 72.59163 4.555254 272.0501       32.20405 206.4578       41.67248 369.3000       50.74199 60.97900 7.115283 82.70147 6.316059 -21.72247      9.514193 
1 1 1 -22 26 3  o 33.81755 7.728450 66.17043       25.02199 22.45816       34.44685 115.0000       36.40736 23.02711 9.480882 44.01145 8.759325 -20.98434      12.90786 
1 1 1 -22 26 4  o 28.15140 6.799953 44.72200       18.52526 -4.724547      33.69738 66.13905       22.17727 18.86815 8.532308 34.37164 6.832478 -15.50349      10.93083 
1 1 1 -22 26 5  o 32.26965 5.980058 56.84161       18.19346 7.757605       33.27678 77.76911       21.72851 20.45275 8.898088 37.80639 6.077565 -17.35364      10.77556 
1 1 1 -22 26 6  o 32.04757 6.037669 56.21247       18.24499 63.06864       33.85074 53.40522       21.66050 31.58328 9.868204 30.49792 7.344142 1.085361       12.30113 
1 1 1 -22 26 7  o 20.80177 7.487992 22.54169       19.46072 28.16000       53.64351 21.69022       20.88339 26.09439 11.32551 20.75517 7.710733 5.339214       13.70119 
1 1 1 -22 26 8  o 19.26595 7.526356 16.22164       20.54170 25.51000       53.98203 14.64894       22.21279 25.79479 11.27565 19.24517 7.727130 6.549620       13.66926 
1 1 1 -22 26 9  o 18.98224 7.489815 15.11200       20.51737 -3.061000      54.19653 18.15224       22.16726 22.91875 10.53723 20.05129 7.822717 2.867466       13.12357 
1 1 1 -22 26 10 o 15.67198 6.658484 4.187389       17.81358 23.52936       30.27717 -6.052561      22.02997 22.48607 9.023813 15.25505 6.898599 7.231014       11.35869 
1 1 1 -22 26 11 o 17.73692 7.058564 12.27865       18.36912 5.199925       30.20094 16.43501       23.14189 19.28127 8.431012 19.78857 7.906853 -0.5073090     11.55856 
1 1 1 -22 26 12 o 30.70350 6.529819 52.90244       19.02007 42.54848       29.92982 59.91642       24.63388 26.52935 9.312968 31.82604 7.935318 -5.296694      12.23522 
1 1 1 -22 26 13 o 15.78344 6.700168 4.606792       18.01125 -7.615033      28.86465 12.39986       23.04902 17.08495 7.792758 18.83436 7.755046 -1.749416      10.99399 
1 1 1 -22 26 14 o 46.89571 4.671375 115.1273       21.15803 93.46577       33.31387 129.7721       27.39186 39.02510 8.916775 48.96438 5.829581 -9.939278      10.65330 
1 1 1 -22 26 15 o 39.27658 5.683800 83.58676       21.21686 79.00737       32.34284 87.04610       28.11066 35.47040 9.228665 38.62114 7.706235 -3.150734      12.02307 
1 1 1 -22 26 16 o 17.69478 7.192132 11.37539       19.50770 11.79604       29.61605 11.05302       25.92670 20.03463 8.551125 19.13272 8.076409 0.9019089      11.76223 
1 1 1 -22 26 17 o 31.72080 7.444998 58.97502       22.71681 35.84000       36.64793 73.41112       28.94940 25.11142 9.977614 34.58038 8.591006 -9.468960      13.16656 
1 1 1 -22 26 18 o 42.37285 6.351942 99.72178       25.53425 102.8637       32.61943 94.75000       41.03321 41.35118 8.347024 37.20167 10.69804 4.149509       13.56911 
1 1 1 -22 26 19 o 20.30231 7.600702 21.33034       20.36857 37.29856       28.87897 5.523564       28.73261 24.92277 9.100291 18.73538 8.207129 6.187386       12.25448 
1 1 1 -22 26 20 o 32.45914 6.847928 60.57674       21.07185 66.68544       30.34748 54.88973       29.28130 32.23003 9.178509 29.23928 9.184172 2.990751       12.98438 
1 1 1 -22 26 21 o 15.18397 6.804032 -2.695128      20.88225 7.878000       31.03106 -11.44627      28.23105 19.46219 8.527198 16.19766 7.503124 3.264530       11.35826 
1 1 1 -22 26 22 o 37.71205 6.390797 80.15945       22.74920 56.75000       33.99712 99.14018       30.61281 29.01297 9.939451 40.60776 7.986433 -11.59479      12.75052 
1 1 1 -22 26 23 o 22.24994 8.111340 28.58330       22.92994 27.98469       27.72198 29.88000       40.80083 22.44436 8.750463 23.90843 10.11392 -1.464067      13.37393 
1 1 1 -22 26 24 o 21.32888 8.403683 23.80252       25.79667 4.776000       58.22736 28.44903       28.77470 22.97400 10.68773 22.61197 8.885765 0.3620377      13.89908 
1 1 1 -22 26 25 o 18.15741 7.311365 14.22761       19.94790 30.53948       27.59132 -3.635553      28.87353 22.84878 8.777854 17.16271 7.814984 5.686073       11.75265 
1 1 1 -22 26 26 o 56.13389 4.393261 165.9520       23.94678 143.2220       33.84744 188.7316       33.88431 49.33664 7.222824 58.12255 6.044071 -8.785915      9.418067 
1 1 1 -22 26 27 o 25.05093 7.453907 38.53923       19.62695 28.87936       26.76729 49.77218       28.86462 22.21883 8.616403 27.17834 9.160608 -4.959507      12.57613 
1 1 1 -22 26 28 o 21.13955 7.425943 26.32512       19.03187 27.33802       26.24621 25.20196       27.63793 21.77608 8.507314 21.43619 8.614953 0.3398952      12.10751 
1 1 1 -22 26 29 o 49.15435 4.690938 129.3222       22.29641 127.1809       31.84072 131.3823       31.23186 46.15104 7.290283 47.28415 6.955681 -1.133114      10.07620 
1 1 1 -22 26 30 o 15.19984 6.648373 2.551348       18.79238 22.86868       26.36804 -18.42125      26.78986 20.81458 8.397269 14.70213 6.966435 6.112446       10.91079 
1 1 1 -22 26 31 o 17.03999 7.014843 11.39784       18.85419 16.89288       27.21704 6.327911       26.14309 19.67661 8.288780 17.68503 7.785082 1.991587       11.37152 
1 1 1 -22 26 32 o 11.85658 5.742143 -25.69333      20.53725 -2.927447      26.08202 -62.84000      33.31646 16.30141 7.424658 13.13193 6.538873 3.169482       9.893554 
1 1 1 -22 26 33 o 19.16372 7.385444 19.64939       19.57544 40.18879       28.02106 0.6977925E-01  27.35853 24.54520 8.963840 16.98315 7.683173 7.562056       11.80600 
1 1 1 -22 26 34 o 16.03274 6.965064 5.097284       20.32778 1.305000       31.10714 7.923661       26.85497 17.93460 8.144988 18.01909 7.912667 -0.8449364E-01 11.35567 
1 1 1 -22 26 35 o 19.79128 7.650492 21.60454       21.05194 33.66000       32.77280 13.13565       27.46850 23.11407 9.348561 18.95921 8.166106 4.154858       12.41293 
1 1 1 -22 26 36 o 26.83154 7.387824 45.17284       20.01608 70.25982       28.61191 21.12742       28.01166 32.14837 8.825360 20.34506 8.478384 11.80331       12.23806 
1 1 1 -22 26 37 f 14.73196 6.545232 0.6526186      18.89598 -6.168249      26.45355 7.758587       27.00075 15.83651 7.310109 17.91107 7.897102 -2.074564      10.76113 
1 1 1 -22 26 38 o 12.46659 5.898967 -14.40772      19.08242 -33.84390      26.36749 6.967559       27.65153 12.94828 6.323643 17.79866 7.912143 -4.850383      10.12869 
1 1 1 -22 26 39 o 22.98617 7.654147 34.17569       20.15840 41.74441       27.94711 25.96699       29.10469 24.34551 8.942103 21.02628 8.691608 3.319235       12.47018 
1 1 1 -22 26 40 o 22.86376 7.750955 34.46564       20.66548 40.45145       28.04587 27.35508       30.56749 23.80875 8.917720 21.16335 8.840885 2.645397       12.55735 
1 1 1 -22 26 41 o 35.69890 6.493674 76.79478       21.85526 54.12766       29.63929 103.8059       32.35496 26.71859 9.275090 38.76034 8.737556 -12.04175      12.74253 
1 1 1 -22 27 1  o 56.94083 4.058746 166.3512       22.47321 90.63334       36.80392 211.3680       28.37800 37.72757 9.858748 63.82983 4.572336 -26.10226      10.86744 
1 1 1 -22 27 2  o 26.24570 8.539976 41.04116       25.14794 -11.37774      33.75840 106.4000       37.69555 17.98107 8.284922 41.35430 9.510975 -23.37323      12.61343 
1 1 1 -22 27 3  o 58.99794 5.093686 183.1853       29.12763 139.7471       37.59698 248.4000       46.06703 48.96431 8.129504 66.58034 7.182181 -17.61603      10.84770 
1 1 1 -22 27 4  o 39.30872 6.930078 86.89195       25.69045 67.52254       34.13396 112.2000       39.01736 32.43106 9.870592 42.37107 9.627258 -9.940014      13.78814 
1 1 1 -22 27 5  o 23.51492 8.307301 31.24634       23.84262 2.901926       30.95638 72.58000       37.38250 19.08891 8.434395 33.19511 10.36998 -14.10620      13.36696 
1 1 1 -22 27 6  o 15.74609 6.680494 4.568195       17.88824 27.74889       29.60610 -8.760008      22.44935 23.16348 9.039460 14.96129 6.842481 8.202191       11.33717 
1 1 1 -22 27 7  o 26.18129 7.137020 39.57039       18.78770 -0.2166059     30.30919 64.39747       23.94234 18.45709 8.239176 33.27575 7.527448 -14.81866      11.16004 
1 1 1 -22 27 8  o 21.09269 7.854259 23.06267       21.69191 89.21000       54.01914 10.34580       23.68544 34.49146 12.46769 18.55415 7.768806 15.93731       14.69005 
1 1 1 -22 27 9  o 27.03747 7.904129 43.48532       22.23207 21.90000       55.49950 47.61105       24.26391 25.14565 11.19185 28.07959 8.270699 -2.933941      13.91625 
1 1 1 -22 27 10 o 42.77906 5.930719 99.74934       24.16676 41.89000       56.88849 112.4900       26.69525 27.42524 11.78148 45.26752 6.186478 -17.84228      13.30698 
1 1 1 -22 27 11 o 44.30914 5.112977 104.2754       21.76925 55.01783       34.27275 137.5885       28.18512 29.15121 9.979871 50.40606 5.819279 -21.25485      11.55257 
1 1 1 -22 27 12 o 33.30197 6.542140 62.41806       20.56425 35.97635       32.11105 80.80235       26.77522 24.91122 9.494473 37.20020 7.610077 -12.28898      12.16792 
1 1 1 -22 27 13 o 15.15885 6.635158 0.6713663      18.74706 -2.374678      29.36755 2.766350       24.35510 17.80127 8.015226 17.25142 7.556619 0.5498505      11.01573 
1 1 1 -22 27 14 o 40.63864 5.510550 89.21507       21.35572 79.18357       32.64662 96.71838       28.23462 35.26523 9.319003 40.97160 7.308430 -5.706371      11.84301 
1 1 1 -22 27 15 o 21.20842 7.670394 24.51312       20.44963 -15.54763      30.05078 59.06502       27.90822 16.33951 7.626861 30.69844 8.821102 -14.35893      11.66108 
1 1 1 -22 27 16 o 31.79172 8.076486 61.24279       25.17858 52.23493       31.55087 77.04000       41.78212 28.42155 9.577382 32.96514 11.02049 -4.543592      14.60060 
1 1 1 -22 27 17 o 35.20126 7.639411 73.36826       25.56490 68.21292       32.19267 82.17000       42.06425 32.30079 9.529977 33.91452 11.04558 -1.613731      14.58853 
1 1 1 -22 27 18 o 18.58872 7.430490 14.91132       20.44595 29.80694       30.31971 2.488488       27.68891 23.19333 9.119088 17.92062 7.944602 5.272711       12.09440 
1 1 1 -22 27 19 o 36.39370 6.908807 76.32850       23.71144 85.97000       38.54686 70.45950       30.07450 35.17168 10.44128 33.12619 9.029670 2.045498       13.80418 
1 1 1 -22 27 20 o 19.82779 8.205418 16.17763       25.97954 6.520000       34.45700 28.90000       39.54815 19.84182 8.825639 23.71690 9.991201 -3.875080      13.33102 
1 1 1 -22 27 21 o 17.07618 7.167088 8.868150       20.23249 4.434424       28.66827 13.26789       28.55818 18.31102 8.102466 19.69444 8.401208 -1.383421      11.67177 
1 1 1 -22 27 22 o 21.12665 8.101524 24.14692       23.47415 40.06292       28.79679 -7.376000      40.52662 25.16573 9.102132 19.30188 8.957897 5.863850       12.77078 
1 1 1 -22 27 23 o 19.92585 7.613922 20.93660       20.68459 5.883295       28.86596 36.82393       29.65483 18.46574 8.152483 24.28251 9.154010 -5.816769      12.25801 
1 1 1 -22 27 24 o 48.46804 5.001709 126.5553       23.38862 109.9713       33.46172 142.3970       32.70428 41.83551 8.462458 49.47391 6.944315 -7.638397      10.94699 
1 1 1 -22 27 25 o 38.02285 5.986608 81.59499       21.54494 57.50206       29.87475 107.7055       31.10049 28.97843 9.297815 41.89267 7.873411 -12.91424      12.18359 
1 1 1 -22 27 26 o 18.04925 7.208458 15.02511       19.22511 -4.174182      26.09762 37.80710       28.42852 16.21216 7.400473 24.20171 8.995461 -7.989557      11.64840 
1 1 1 -22 27 27 o 60.70421 4.159044 193.5033       24.56329 199.6148       35.12839 187.6562       34.35984 59.38627 6.131234 57.47807 6.205459 1.908195       8.723516 
1 1 1 -22 27 28 o 24.97926 7.544860 38.79268       19.99615 45.20160       27.92762 32.05093       28.64362 25.94716 9.003510 22.86569 8.900414 3.081474       12.66020 
1 1 1 -22 27 29 o 25.88625 7.445750 41.59106       19.87458 44.94353       27.84607 38.10998       28.37520 25.83836 8.988937 24.16013 8.985678 1.678228       12.70997 
1 1 1 -22 27 30 o 27.87368 7.302300 47.94509       20.15799 39.48122       28.62908 56.26692       28.38784 24.37402 9.033211 28.61177 9.050447 -4.237751      12.78708 
1 1 1 -22 27 31 o 28.27842 7.909240 51.18979       22.74458 65.11950       29.21071 29.74000       36.24788 30.77992 9.076994 22.66731 9.558030 8.112608       13.18134 
1 1 1 -22 27 32 o 17.14870 7.073533 11.77654       19.22113 13.24915       27.41083 10.35193       26.96035 18.97882 8.165855 18.41809 8.011089 0.5607319      11.43935 
1 1 1 -22 27 33 o 29.31376 7.680950 54.28576       22.30009 64.72000       35.30000 47.35612       28.76733 29.33484 10.12519 26.14721 9.133850 3.187624       13.63622 
1 1 1 -22 27 34 o 13.92741 6.353912 -4.804993      19.20285 -7.689155      27.65618 -2.120080      26.68379 15.97538 7.409228 16.44094 7.496546 -0.4655685     10.54016 
1 1 1 -22 27 35 o 15.53188 6.737956 4.870428       18.96853 6.432801       26.62879 3.261008       27.02675 17.60666 7.798962 17.21812 7.726117 0.3885441      10.97801 
1 1 1 -22 27 36 o 36.83085 5.932793 77.70313       20.66190 80.80738       29.17690 74.58031       29.26398 34.79527 8.613222 33.04548 8.864602 1.749790       12.35997 
1 1 1 -22 27 37 o 20.63513 7.442195 26.01224       19.23429 35.22931       26.71589 16.09334       27.71437 22.96885 8.681965 19.20528 8.236279 3.763569       11.96716 
1 1 1 -22 27 38 o 22.27668 7.573215 31.92807       19.72992 52.05797       27.04478 9.025949       28.84698 26.98700 8.860890 18.14692 8.073302 8.840080       11.98723 
1 1 1 -22 27 39 o 39.87473 5.685801 91.45891       21.56409 106.9797       29.60035 73.90579       31.47869 40.81982 7.690356 31.30081 9.469049 9.519007       12.19854 
1 1 1 -22 27 40 o 16.64541 7.024323 11.13745       19.60226 12.91201       25.91508 8.764413       29.96805 18.05496 7.853687 18.05060 8.114726 0.4364014E-02  11.29288 
1 1 1 -22 28 1  o 65.09088 4.305208 219.1674       27.27554 64.35000       61.77943 256.6509       30.39864 30.22626 12.59327 70.33922 4.437822 -40.11295      13.35233 
1 1 1 -22 28 2  o 40.56742 5.044079 87.42219       19.59793 40.54977       34.76698 109.2525       23.72678 25.99082 9.885669 45.09393 5.488346 -19.10311      11.30701 
1 1 1 -22 28 3  o 39.04140 5.210405 81.46468       19.41480 32.32241       33.55839 106.1879       23.80270 24.29377 9.580894 44.36336 5.606430 -20.06959      11.10070 
1 1 1 -22 28 4  o 21.84439 8.306523 25.02092       24.54298 6.747966       32.33671 49.85000       37.69395 19.80387 8.690013 27.88073 10.35905 -8.076862      13.52133 
1 1 1 -22 28 5  o 19.67423 8.646935 6.217031       32.13342 6.217031       32.13342 0.000000       0.000000 19.67423 8.646935 ?        ?        ?              ?        
1 1 1 -22 28 6  o 31.61058 8.206958 60.50062       25.61415 47.22574       32.29034 83.03000       42.06608 27.35732 9.667352 34.46928 11.03035 -7.111965      14.66718 
1 1 1 -22 28 7  f 14.55577 6.492521 -2.674225      18.78182 -14.16114      28.85253 5.772689       24.74180 16.18884 7.528561 17.87190 7.724253 -1.683058      10.78626 
1 1 1 -22 28 8  o 18.35960 7.222724 14.69083       19.03014 41.88945       30.82049 -2.067597      24.19261 26.08096 9.418777 16.41310 7.341465 9.667862       11.94196 
1 1 1 -22 28 9  o 18.12580 7.214570 13.67625       19.19330 14.04163       31.11008 13.45171       24.38781 20.60071 8.777562 19.19515 7.947441 1.405552       11.84092 
1 1 1 -22 28 10 o 14.80797 6.767441 -7.830414      21.90735 -29.15000      53.48925 -3.533382      24.01383 20.22931 9.658206 16.12343 7.254854 4.105871       12.07948 
1 1 1 -22 28 11 o 19.65742 7.917734 16.67017       23.40145 -23.37000      52.92974 26.39857       26.08990 20.51561 9.741715 22.22416 8.536250 -1.708557      12.95255 
1 1 1 -22 28 12 o 39.66759 7.040429 90.14838       26.33522 28.44000       56.32121 107.4156       29.79281 25.49739 11.31564 43.12646 7.319050 -17.62907      13.47636 
1 1 1 -22 28 13 o 34.72968 6.573936 68.34431       21.52953 27.49066       31.13305 105.7871       29.80507 22.90625 9.164765 42.67126 7.404249 -19.76501      11.78201 
1 1 1 -22 28 14 o 60.07026 4.229456 187.3206       24.70958 139.5850       35.82928 230.6163       34.12242 48.68120 7.781061 65.57278 5.363117 -16.89159      9.450288 
1 1 1 -22 28 15 o 15.40812 6.996363 -5.410487      22.93979 -16.62733      28.73506 14.30000       38.09127 15.73247 7.380454 21.55522 9.445821 -5.822747      11.98727 
1 1 1 -22 28 16 o 14.26535 6.674513 -14.49320      23.23996 -1.870236      28.96818 -37.29000      38.92937 17.56613 7.930309 16.50714 7.972845 1.058992       11.24527 
1 1 1 -22 28 17 o 20.92226 7.716251 24.07097       20.84515 -5.061864      30.31853 50.18813       28.70647 17.45789 7.971941 27.81479 9.128854 -10.35691      12.11973 
1 1 1 -22 28 18 o 35.69884 6.956077 74.13182       23.43263 50.88000       37.04244 89.64391       30.25564 27.33481 10.24658 38.04719 8.353490 -10.71238      13.22018 
1 1 1 -22 28 19 f 12.31037 5.920382 -23.96067      20.92387 -32.19000      31.67982 -17.59297      27.86712 14.98445 7.226193 15.28454 7.200808 -0.3000956     10.20145 
1 1 1 -22 28 20 o 16.57202 7.444340 -1.145750      25.16741 -10.30000      32.47005 12.63000       39.83173 17.25732 8.012178 21.32568 9.487145 -4.068365      12.41777 
1 1 1 -22 28 21 f 22.31613 8.664582 28.65451       27.09244 80.61000       64.27348 17.42858       29.87632 30.21905 12.73410 20.44929 8.652812 9.769766       15.39573 
1 1 1 -22 28 22 f 25.88803 8.467984 43.17273       24.70964 26.36838       29.88316 79.50000       43.93717 21.96656 8.911465 31.75708 11.27161 -9.790525      14.36883 
1 1 1 -22 28 23 o 37.48975 6.291071 80.51484       22.26874 70.18546       31.66233 90.62585       31.32586 31.86181 9.464126 37.37651 8.722386 -5.514706      12.87050 
1 1 1 -22 28 24 o 20.18226 7.622627 22.70815       20.58472 17.30675       29.22267 28.02793       29.00098 20.11971 8.537412 22.08184 8.841838 -1.962130      12.29087 
1 1 1 -22 28 25 o 29.91248 7.487581 55.36200       21.86989 21.01634       30.87023 89.96908       30.98749 20.88296 8.813896 37.12981 8.682238 -16.24685      12.37198 
1 1 1 -22 28 26 o 49.41813 4.895574 131.9038       23.36988 99.13236       33.22182 164.0059       32.88082 38.75750 8.939425 53.44719 6.413010 -14.68970      11.00182 
1 1 1 -22 28 27 o 37.91137 6.132114 82.04630       21.97897 41.87329       31.07882 122.2407       31.08708 24.93317 9.377290 45.17758 7.277079 -20.24441      11.86969 
1 1 1 -22 28 28 o 40.46219 5.712577 91.97189       21.99623 43.15075       31.42068 138.8931       30.80323 25.05001 9.427113 48.81915 6.616279 -23.76914      11.51719 
1 1 1 -22 28 29 o 14.66289 6.611399 -2.244662      20.06154 -20.25702      28.01576 16.71196       28.74072 14.76838 7.033891 19.78556 8.433674 -5.017183      10.98192 
1 1 1 -22 28 30 o 31.25051 7.868406 62.14280       24.04966 50.45640       30.28602 82.09000       39.56789 26.72015 9.369120 32.31732 10.72248 -5.597170      14.23910 
1 1 1 -22 28 31 o 12.64923 5.955669 -13.33313      19.01151 -32.63597      27.66647 3.936269       26.16868 13.52087 6.575151 17.20768 7.670284 -3.686809      10.10277 
1 1 1 -22 28 32 o 20.93279 7.829508 26.08536       21.60311 -26.45000      34.31576 60.57512       27.80435 15.75125 7.576900 29.73291 8.877856 -13.98166      11.67158 
1 1 1 -22 28 33 o 15.21207 6.688517 2.842499       19.24416 -9.863460      27.86126 14.43491       26.61238 15.71829 7.339158 18.89945 8.087258 -3.181165      10.92094 
1 1 1 -22 28 34 o 12.44821 5.890820 -14.59770      19.03811 -10.45962      27.38876 -18.46633      26.48203 15.51395 7.254518 14.40541 6.854692 1.108533       9.980723 
1 1 1 -22 28 35 o 15.96738 6.848453 7.074758       19.16540 7.621529       27.20885 6.536338       27.00028 17.81288 7.887222 17.60872 7.823596 0.2041664      11.10932 
1 1 1 -22 28 36 o 28.69753 7.233561 51.85699       20.30945 30.34512       28.85169 72.98607       28.59383 21.84904 8.794683 32.44372 8.788317 -10.59468      12.43306 
1 1 1 -22 28 37 o 14.05682 6.404682 -3.198518      19.43067 -13.78762      26.71977 8.686090       28.30711 14.76910 6.986046 17.92915 7.985611 -3.160045      10.61013 
1 1 1 -22 28 38 o 19.39853 7.466120 22.58577       19.98682 10.19057       27.10288 37.36242       29.59215 17.80354 7.878018 22.84059 9.000269 -5.037050      11.96110 
1 1 1 -22 28 39 o 27.09193 8.226078 51.56797       23.72653 43.90901       27.73312 72.48000       45.82601 24.25369 8.907899 27.27759 11.04663 -3.023899      14.19079 
1 1 1 -22 29 1  o 31.81749 6.372444 57.04755       19.15372 -5.471135      32.13042 91.51180       23.85590 18.01568 8.219011 40.62561 6.194849 -22.60994      10.29215 
1 1 1 -22 29 2  f 52.00755 4.912556 143.0948       24.71173 131.9000       60.56216 145.3311       27.06756 40.10000 13.26412 52.02493 5.393499 -11.92493      14.31875 
1 1 1 -22 29 3  o 54.94575 4.790501 159.0533       25.50713 90.83000       60.85404 173.5941       28.09416 33.33918 12.97420 57.17562 5.072532 -23.83643      13.93055 
1 1 1 -22 29 4  o 38.87471 5.427596 81.72137       20.09067 49.52991       34.08720 98.85650       24.86936 27.63379 9.914785 42.23478 6.200212 -14.60098      11.69383 
1 1 1 -22 29 5  o 34.30356 6.342305 66.04697       20.51151 4.002201       32.82285 105.8016       26.27348 19.37659 8.616551 43.59200 6.343471 -24.21541      10.69975 
1 1 1 -22 29 6  o 18.84775 8.422251 1.870702       31.75745 1.870702       31.75745 0.000000       0.000000 18.84775 8.422251 ?        ?        ?              ?        
1 1 1 -22 29 7  o 20.01725 8.225657 16.52894       25.86390 -7.939238      32.18832 61.11000       43.44830 17.69563 8.130252 29.51424 11.09017 -11.81861      13.75110 
1 1 1 -22 29 8  o 25.02978 8.629213 38.21007       25.63688 12.54222       31.82666 85.64000       43.26360 20.37269 8.782628 34.37774 11.20232 -14.00505      14.23469 
1 1 1 -22 29 9  o 31.87766 6.883421 58.70313       20.84865 17.02550       31.90302 89.76940       27.54386 21.08045 8.931660 39.13828 7.462085 -18.05783      11.63861 
1 1 1 -22 29 10 o 17.03540 7.095521 9.023662       19.60460 -29.08536      30.37199 36.24232       25.66805 14.98705 7.188137 24.44769 8.620983 -9.460642      11.22456 
1 1 1 -22 29 11 o 30.40988 8.197197 57.23164       24.94972 23.24000       57.53410 65.10436       27.68866 24.69394 11.15954 32.12536 8.624880 -7.431421      14.10404 
1 1 1 -22 29 12 o 31.41097 8.262048 61.27219       25.73778 78.37000       58.96024 57.24708       28.60736 31.03204 12.54340 29.72349 9.034182 1.308546       15.45812 
1 1 1 -22 29 13 o 47.01427 7.730350 131.1155       34.33887 57.64000       61.00040 165.2000       41.54705 28.36092 12.19187 52.00803 8.451248 -23.64711      14.83460 
1 1 1 -22 29 14 o 26.41914 8.249410 43.53002       23.65976 18.60838       30.03135 84.31000       38.41581 20.87237 8.744226 34.54891 10.46239 -13.67654      13.63537 
1 1 1 -22 29 15 o 46.04162 5.149558 114.2772       22.81039 102.3791       32.60989 125.6762       31.91873 40.55061 8.488501 46.32977 7.278174 -5.779160      11.18152 
1 1 1 -22 29 16 o 25.21143 7.797862 38.97599       21.19627 20.77902       29.66179 57.96511       30.30052 21.12692 8.757587 29.44367 9.354873 -8.316755      12.81441 
1 1 1 -22 29 17 o 37.33401 6.707181 80.37160       23.60959 44.25000       36.49881 106.3602       30.95895 25.90462 10.05715 41.98122 7.821699 -16.07660      12.74069 
1 1 1 -22 29 18 o 23.54449 8.363054 34.16686       24.19154 15.94330       29.91590 68.60000       41.12195 20.19786 8.606730 30.19712 10.88295 -9.999258      13.87496 
1 1 1 -22 29 19 o 12.49758 6.129616 -39.18534      25.57914 -10.11000      59.74437 -45.71130      28.30456 21.58166 10.27689 12.87156 6.339659 8.710093       12.07501 
1 1 1 -22 29 20 o 14.94449 6.711526 -1.823744      20.44190 -14.53161      29.00723 10.71379       28.81218 15.74126 7.394300 19.00211 8.273172 -3.260855      11.09599 
1 1 1 -22 29 21 o 31.82076 7.158894 61.04868       21.75665 61.85462       31.15058 60.28111       30.40025 29.76033 9.488590 29.49655 9.370088 0.2637787      13.33536 
1 1 1 -22 29 22 o 15.81167 7.069287 0.2353769      22.40525 18.48000       35.21726 -12.17043      29.04027 21.02614 9.150620 15.94853 7.461734 5.077612       11.80726 
1 1 1 -22 29 23 o 30.05153 7.476118 55.96669       21.90116 62.08756       30.95247 49.82961       30.99341 29.66486 9.458394 26.64924 9.466012 3.015625       13.38158 
1 1 1 -22 29 24 o 19.60174 8.059566 18.36959       24.84857 -3.811995      29.92183 67.66000       44.60393 17.10046 7.850163 28.92649 11.14817 -11.82602      13.63476 
1 1 1 -22 29 25 o 28.13349 7.740940 49.94419       21.98383 -4.753953      30.91127 105.9247       31.27152 17.21150 7.929442 41.12274 8.057215 -23.91124      11.30463 
1 1 1 -22 29 26 o 25.04106 7.813850 40.04057       21.23107 20.20842       29.99485 59.95337       30.05578 20.51259 8.674319 29.16503 9.322701 -8.652441      12.73407 
1 1 1 -22 29 27 o 27.18866 7.652698 46.78934       21.22219 6.818011       29.71598 88.39805       30.31851 18.37906 8.184216 36.73056 8.587412 -18.35150      11.86276 
1 1 1 -22 29 28 o 33.11919 7.791604 69.31312       24.83386 67.05083       31.04923 73.33000       41.37343 30.69121 9.428131 30.03772 10.90372 0.6534824      14.41460 
1 1 1 -22 29 29 o 21.66234 7.738675 28.83245       20.74250 17.70965       29.43125 39.80993       29.23835 19.95814 8.521608 24.26755 9.102059 -4.309406      12.46857 
1 1 1 -22 29 30 o 28.74130 7.474957 51.85137       21.22419 36.85261       31.05972 64.99005       29.07005 23.57545 9.241570 30.58991 9.063941 -7.014452      12.94456 
1 1 1 -22 29 31 o 17.48652 7.361802 11.71755       21.44938 5.756000       35.49229 15.14761       26.92186 19.07910 8.678624 19.07719 8.147977 0.1914978E-02  11.90412 
1 1 1 -22 29 32 o 15.58833 6.795628 4.620761       19.49302 8.140885       28.48829 1.521701       26.73021 18.15825 8.053753 16.85244 7.612057 1.305809       11.08180 
1 1 1 -22 29 33 f 16.10715 6.883536 7.587187       19.23497 20.43154       27.96400 -3.947255      26.49973 20.08686 8.428011 16.05885 7.377753 4.028017       11.20101 
1 1 1 -22 29 34 o 17.62181 7.155090 14.77256       19.28398 6.697038       27.49146 22.59488       27.05705 17.63426 7.861006 20.24775 8.376029 -2.613489      11.48709 
1 1 1 -22 29 35 o 14.52938 6.511373 0.7754882E-01  19.12980 -8.238690      27.00681 8.451697       27.10067 15.49084 7.230577 17.73198 7.860430 -2.241138      10.68024 
1 1 1 -22 29 36 o 19.75767 7.494021 23.71666       19.94564 37.20715       27.55958 8.878733       28.90316 22.99296 8.787960 17.96931 8.031923 5.023645       11.90546 
1 1 1 -22 29 37 o 21.90512 7.643597 31.80986       20.14276 45.10890       27.91134 17.35594       29.09802 24.59257 8.951588 19.11983 8.319398 5.472733       12.22061 
1 1 1 -22 30 1  o 33.22080 8.463185 69.02552       27.59328 33.20000       56.66108 80.16319       31.59263 25.56076 11.34642 35.27768 9.092012 -9.716911      14.53980 
1 1 1 -22 30 2  o 53.32540 4.401606 148.9304       22.77037 56.87000       58.74384 165.2083       24.70157 28.27138 12.05423 56.06354 4.540111 -27.79217      12.88088 
1 1 1 -22 30 3  o 31.74199 6.450060 57.48757       19.35610 31.90466       32.77796 71.18540       23.98462 23.66694 9.425508 34.76809 7.281397 -11.10115      11.91045 
1 1 1 -22 30 4  o 20.29214 7.291660 22.63693       18.44423 -16.28507      31.44564 43.05022       22.77296 16.46016 7.721472 26.42249 8.066381 -9.962326      11.16636 
1 1 1 -22 30 5  o 31.59398 6.876300 58.06384       20.65980 -5.973306      32.86345 99.90968       26.56582 17.93870 8.232017 41.83923 6.713864 -23.90053      10.62271 
1 1 1 -22 30 6  o 47.96258 4.866112 122.4535       22.52914 66.89040       35.18704 161.0560       29.32903 31.10645 10.10030 54.38723 5.588714 -23.28078      11.54339 
1 1 1 -22 30 7  o 17.71472 7.777787 4.467704       25.93797 -15.34711      32.54987 38.94000       42.93281 16.82544 7.880975 25.41051 10.53493 -8.585062      13.15654 
1 1 1 -22 30 8  o 25.36117 8.733060 40.36751       26.25496 32.65950       32.41088 55.08000       44.77782 23.73147 9.397918 27.95663 11.05415 -4.225166      14.50914 
1 1 1 -22 30 9  o 42.88354 7.011765 106.4835       28.41611 57.11132       34.91778 203.3000       48.89681 28.78307 10.06242 56.72383 9.115349 -27.94076      13.57726 
1 1 1 -22 30 10 o 31.84496 8.445187 64.10174       26.75068 47.37053       32.90890 96.69000       45.92830 26.68246 9.718845 35.46290 11.54119 -8.780445      15.08824 
1 1 1 -22 30 11 o 21.69382 7.803597 27.23840       21.13143 50.67625       31.51386 8.090681       28.48401 27.46061 9.562059 18.75927 8.195629 8.701338       12.59370 
1 1 1 -22 30 12 o 14.11473 6.852532 -35.65453      29.71712 -50.74000      56.87661 -29.99000      34.85269 18.94197 9.258710 15.95736 7.665687 2.984605       12.02025 
1 1 1 -22 30 13 o 17.09637 7.632594 1.004530       26.01818 -16.28000      56.68789 5.617326       29.28489 21.01632 10.00850 18.53530 8.196020 2.481018       12.93618 
1 1 1 -22 30 14 o 14.49382 6.832334 -16.80738      25.15524 -23.14000      56.81815 -15.26349      28.05457 20.49147 9.829082 15.51994 7.284492 4.971530       12.23416 
1 1 1 -22 30 15 o 23.33572 8.139996 33.51300       22.84286 42.55000       35.61121 27.19505       29.77574 25.35125 9.907923 22.16041 8.929347 3.190842       13.33792 
1 1 1 -22 30 16 o 17.52832 7.718612 5.116202       25.71804 -12.40000      33.00278 32.20000       41.03792 16.99109 7.951140 23.73668 10.09639 -6.745590      12.85137 
1 1 1 -22 30 17 o 22.14873 8.645760 28.87698       27.08921 87.26000       59.69022 13.73330       30.40014 30.74438 12.54902 19.72579 8.543767 11.01859       15.18137 
1 1 1 -22 30 18 f 14.06334 6.469803 -7.363035      20.47527 1.959076       28.96998 -16.66770      28.94286 17.68243 7.961333 15.45348 7.298067 2.228951       10.80021 
1 1 1 -22 30 19 o 28.65467 7.581459 51.14154       21.59055 46.63855       30.93740 55.41691       30.14531 26.01627 9.430946 28.21798 9.358981 -2.201706      13.28658 
1 1 1 -22 30 20 o 18.38507 7.467271 15.54082       21.01088 50.55283       29.94256 -18.42164      29.49035 26.92538 9.323726 15.36965 7.290445 11.55573       11.83564 
1 1 1 -22 30 21 o 18.18948 7.440439 14.71754       21.03929 41.62314       29.68882 -12.42580      29.81970 24.80905 9.198055 16.05843 7.528605 8.750626       11.88630 
1 1 1 -22 30 22 o 15.35463 6.831022 0.7065463      20.65211 -2.535367      28.56537 4.256770       29.89282 16.93187 7.734133 18.11749 8.127903 -1.185619      11.21961 
1 1 1 -22 30 23 o 17.37352 7.264369 11.28720       20.66615 13.37714       28.34761 8.916413       30.19222 19.19250 8.281380 18.81808 8.321495 0.3744259      11.74004 
1 1 1 -22 30 24 o 26.47437 8.168296 45.92284       23.27485 37.46000       35.00468 52.62914       31.16084 23.79428 9.647857 27.10268 9.503454 -3.308399      13.54241 
1 1 1 -22 30 25 o 20.52851 7.699563 24.62431       20.92200 21.90471       28.42218 27.84096       30.91054 20.59534 8.558002 21.89980 8.995100 -1.304462      12.41576 
1 1 1 -22 30 26 o 20.57125 8.081077 24.18546       23.79205 28.48927       29.12352 15.55000       41.25346 21.84345 8.820578 21.04179 9.484779 0.8016586      12.95236 
1 1 1 -22 30 27 o 42.37546 6.514660 105.0582       26.15782 77.00886       31.85741 163.1000       45.82677 33.00262 9.405896 47.92545 10.08857 -14.92283      13.79312 
1 1 1 -22 30 28 o 21.54747 7.709804 28.62052       20.59638 21.98539       28.79013 35.57621       29.47738 20.55947 8.583673 23.25813 9.035797 -2.698656      12.46295 
1 1 1 -22 30 29 o 18.51926 7.595117 16.16028       21.99509 1.007000       34.12712 26.92715       28.76678 18.30149 8.394900 21.44848 8.727835 -3.146997      12.10989 
1 1 1 -22 30 30 o 18.93996 7.439592 19.33755       20.16316 2.610043       29.16554 34.65166       27.90617 17.48687 7.919796 22.90342 8.820287 -5.416542      11.85414 
1 1 1 -22 30 31 o 12.73480 5.968580 -11.31710      18.71771 -11.81876      26.80398 -10.83963      26.14982 15.16501 7.118655 15.10366 7.071051 0.6134987E-01  10.03369 
1 1 1 -22 30 32 o 17.18834 7.062548 13.01763       19.06453 46.79990       27.67878 -17.47563      26.29689 25.66473 8.959773 14.37521 6.837584 11.28952       11.27076 
1 1 1 -22 30 33 o 14.67295 6.518825 1.485279       18.74244 -14.12230      26.58616 16.90562       26.42621 14.74079 6.971432 19.03717 8.099876 -4.296379      10.68685 
1 1 1 -22 30 34 o 12.83769 6.018186 -10.54532      19.04870 -6.171083      26.10091 -15.53020      27.86323 15.44570 7.175338 14.84660 7.055070 0.5991058      10.06278 
1 1 1 -22 30 35 o 23.25195 7.610198 36.07778       19.95580 29.65899       27.18453 43.57909       29.38758 21.22877 8.539676 24.11412 9.107776 -2.885349      12.48510 
1 1 1 -22 30 36 o 16.87882 7.046905 12.68303       19.40381 28.75578       26.52002 -5.834241      28.46540 20.96735 8.434607 15.88004 7.415873 5.087311       11.23111 
1 1 1 -22 31 1  o 38.13615 6.123120 81.86437       22.08343 56.14000       57.84896 86.25261       23.89287 27.68866 11.88736 38.84061 6.515056 -11.15195      13.55563 
1 1 1 -22 31 2  o 24.53251 7.763267 36.87557       20.88535 -51.23000      55.51651 51.40056       22.54127 18.66933 9.130114 28.86497 7.796152 -10.19565      12.00579 
1 1 1 -22 31 3  o 50.47543 4.791758 135.7971       23.39095 75.82000       59.35001 146.8265       25.45096 30.07194 12.41937 52.28025 5.035708 -22.20831      13.40146 
1 1 1 -22 31 4  o 27.56130 7.561996 46.39132       21.01309 111.3000       57.96548 36.57087       22.54673 35.48271 12.90242 24.32533 8.094744 11.15738       15.23146 
1 1 1 -22 31 5  o 38.70017 6.009006 83.90391       22.02465 48.00000       58.44396 89.84685       23.77768 26.76087 11.71435 39.81986 6.310653 -13.05899      13.30602 
1 1 1 -22 31 6  o 29.00929 7.459193 51.04368       21.29781 57.46000       58.43436 50.06075       22.87103 27.81998 11.94560 28.37249 7.929610 -0.5525112     14.33793 
1 1 1 -22 31 7  o 21.97318 7.718279 28.41348       20.55959 24.87643       31.73653 30.97134       26.98842 22.03610 9.089333 22.88238 8.708322 -0.8462753     12.58773 
1 1 1 -22 31 8  o 18.39064 7.404643 14.93453       20.45823 7.617230       30.67660 20.79575       27.45530 19.06460 8.411114 20.74906 8.494900 -1.684460      11.95450 
1 1 1 -22 31 9  o 32.23373 8.483077 66.45517       27.12374 32.64267       33.53680 130.4000       46.11961 23.50629 9.474809 42.25419 11.03347 -18.74790      14.54336 
1 1 1 -22 31 10 o 35.00847 9.646363 84.00652       34.11089 84.00652       34.11089 0.000000       0.000000 35.00847 9.646363 ?        ?        ?              ?        
1 1 1 -22 31 11 o 23.15279 9.281307 31.87890       31.99348 31.87890       31.99348 0.000000       0.000000 23.15279 9.281307 ?        ?        ?              ?        
1 1 1 -22 31 12 o 29.65540 7.537778 54.15116       21.92355 47.89856       32.06800 59.63807       30.04038 26.40121 9.597221 29.50140 9.307350 -3.100183      13.36912 
1 1 1 -22 31 13 o 35.82599 6.654108 74.97640       22.47548 16.53166       31.91504 132.4792       31.65680 20.37485 8.789263 47.40375 7.035718 -27.02890      11.25844 
1 1 1 -22 31 14 o 20.90669 8.761605 21.53245       30.16660 0.000000       0.000000 21.53245       30.16660 ?        ?        20.90669 8.761605 ?              ?        
1 1 1 -22 31 15 o 18.01512 8.343477 -5.136128      34.88493 -8.503000      55.69155 -2.962000      44.75263 20.89170 9.940948 19.90040 9.295049 0.9912987      13.60957 
1 1 1 -22 31 16 o 14.00379 6.517782 -10.52045      21.69511 -24.97947      30.68744 3.927414       30.67559 15.07989 7.230739 18.24712 8.205938 -3.167232      10.93714 
1 1 1 -22 31 17 o 16.32753 7.072265 5.941929       20.83245 -18.37041      29.69135 29.51582       29.23697 15.40511 7.309587 22.20560 8.882361 -6.800493      11.50332 
1 1 1 -22 31 18 f 21.31274 7.819153 27.33510       21.35883 50.90896       30.61593 4.982999       29.81201 26.83419 9.419175 18.14740 8.130997 8.686789       12.44323 
1 1 1 -22 31 19 o 17.39855 7.300924 11.19078       20.98866 26.51881       29.75076 -3.997262      29.61460 21.64178 8.849601 16.95242 7.792323 4.689367       11.79134 
1 1 1 -22 31 20 o 13.56224 6.321187 -10.68775      20.52049 -20.44627      28.75258 -0.5570504     29.29574 14.95093 7.122226 17.32022 7.880953 -2.369290      10.62241 
1 1 1 -22 31 21 o 15.72725 6.941448 2.775248       20.91255 -7.496072      29.25827 13.50342       29.90187 16.40860 7.613828 19.36382 8.429444 -2.955223      11.35896 
1 1 1 -22 31 22 o 20.31394 7.716568 23.90268       21.16708 8.938041       29.32590 40.17801       30.58321 18.53680 8.198980 24.26615 9.261672 -5.729345      12.36939 
1 1 1 -22 31 23 o 20.18437 7.738575 23.31824       21.41496 11.73139       29.64596 35.96148       30.96792 19.01058 8.331875 23.39399 9.210547 -4.383404      12.41992 
1 1 1 -22 31 24 o 32.57689 7.168797 65.05210       22.23791 27.70290       30.78529 105.8061       32.15791 21.74832 8.959475 40.34696 8.415515 -18.59865      12.29199 
1 1 1 -22 31 25 o 19.79840 8.052122 20.54829       24.46961 27.08581       29.38284 5.754000       44.20123 21.53874 8.799575 20.30369 9.399320 1.235048       12.87555 
1 1 1 -22 31 26 o 20.68907 8.448146 23.76831       27.06589 21.73000       35.34027 26.66000       42.09306 21.12738 9.180932 22.33692 9.853850 -1.209532      13.46803 
1 1 1 -22 31 27 o 17.86222 7.379359 14.04239       20.96305 14.50537       29.22088 13.55144       30.09070 19.27679 8.362734 19.25581 8.417841 0.2098274E-01  11.86572 
1 1 1 -22 31 28 o 13.31778 6.391199 -21.78055      24.08835 -51.91000      31.24173 22.39000       37.82734 13.05106 6.470214 21.28440 9.367244 -8.233340      11.38459 
1 1 1 -22 31 29 o 21.45378 7.647202 28.84074       20.24391 18.97072       28.15216 39.40931       29.13138 19.76012 8.381986 23.84203 9.053589 -4.081913      12.33796 
1 1 1 -22 31 30 o 20.77291 7.447275 26.52748       19.22764 41.01347       27.02804 11.68461       27.35895 24.31081 8.814647 18.40932 8.037654 5.901487       11.92904 
1 1 1 -22 31 31 o 15.02055 6.585875 3.700732       18.54004 11.71421       26.04927 -4.525784      26.39326 18.07534 7.868130 15.79512 7.294834 2.280219       10.72950 
1 1 1 -22 31 32 o 13.30739 6.128092 -5.805540      18.43344 -1.740328      26.23522 -9.769227      25.90555 16.03831 7.358166 14.97300 7.018896 1.065316       10.16895 
1 1 1 -22 31 33 f 16.25176 6.919809 9.602742       19.31165 12.97169       26.34337 5.689087       28.39328 18.11082 7.897555 17.35670 7.842040 0.7541199      11.12964 
1 1 1 -22 31 34 o 22.19667 7.565950 32.91497       19.69392 9.553619       26.83949 60.16461       28.98715 17.52634 7.792858 28.00562 9.172356 -10.47928      12.03581 
1 1 1 -22 32 1  o 33.90459 6.864623 67.81155       21.99909 -15.18000      57.90999 81.80809       23.78193 20.91034 10.00134 37.43568 6.737894 -16.52534      12.05927 
1 1 1 -22 32 2  o 40.97015 5.842877 94.00732       22.76840 36.40000       59.22745 103.9969       24.66363 25.12166 11.34053 42.94477 6.033496 -17.82310      12.84565 
1 1 1 -22 32 3  o 32.90178 6.921097 64.17229       21.58199 41.27000       57.88309 67.87029       23.25922 25.52796 11.39145 33.53932 7.293196 -8.011356      13.52612 
1 1 1 -22 32 4  o 18.39368 7.415381 15.44274       20.54629 11.35000       57.90387 16.03227       21.97631 22.80737 10.62627 18.77499 7.632736 4.032379       13.08343 
1 1 1 -22 32 5  o 19.84651 8.237370 18.02545       26.28960 -0.6665000     57.97926 22.86313       29.49607 21.86232 10.32611 21.15966 8.748594 0.7026577      13.53390 
1 1 1 -22 32 6  o 59.06801 4.517515 185.2493       25.92092 41.63000       61.89925 215.7899       28.54421 25.56730 11.56267 63.66766 4.611545 -38.10036      12.44836 
1 1 1 -22 32 7  o 39.89528 5.994636 90.08183       22.68624 67.71000       59.37132 93.90672       24.54907 28.18386 12.07024 40.35187 6.431028 -12.16801      13.67657 
1 1 1 -22 32 8  o 24.92359 8.390708 40.35423       24.21685 38.30000       56.85789 40.80947       26.76601 24.91517 11.19097 24.85689 8.799971 0.5828285E-01  14.23648 
1 1 1 -22 32 9  f 32.56408 8.193643 68.06284       26.09144 -11.52000      58.64521 87.70290       29.13361 20.98913 10.04592 37.11363 8.234960 -16.12451      12.98981 
1 1 1 -22 32 10 o 31.02242 8.467456 63.15023       26.42559 30.99000       57.25909 71.85384       29.78755 24.15466 11.00127 32.54970 9.031931 -8.395044      14.23389 
1 1 1 -22 32 11 f 14.56542 7.144934 -45.23503      34.79709 -84.72000      54.87482 -18.68000      45.00187 16.58877 8.280929 18.58687 8.869860 -1.998096      12.13459 
1 1 1 -22 32 12 o 20.33120 8.539656 19.74185       28.75740 9.857000       35.83974 37.61000       48.18587 19.84823 8.902409 24.36011 10.65071 -4.511887      13.88130 
1 1 1 -22 32 13 o 22.80983 8.868824 32.78157       28.41591 40.25000       34.67862 17.52000       49.57317 24.36363 9.697568 22.20574 10.16033 2.157894       14.04547 
1 1 1 -22 32 14 o 17.34997 7.424266 9.587960       22.42813 7.805158       32.33656 11.24062       31.13394 18.94909 8.480865 19.22885 8.478991 -0.2797623     11.99243 
1 1 1 -22 32 15 o 15.95124 7.336332 -5.379200      26.30234 24.38000       54.04889 -14.61360      30.10790 23.14253 10.59653 15.85052 7.472751 7.292005       12.96643 
1 1 1 -22 32 16 o 17.87622 7.890596 6.984930       27.02802 -1.310000      54.25283 9.723272       31.17166 21.05308 9.957338 19.03935 8.435578 2.013727       13.05019 
1 1 1 -22 32 17 o 16.75895 7.272013 6.727510       22.10545 18.37717       31.47548 -4.611130      31.05247 20.38018 8.759348 17.17411 7.924882 3.206066       11.81228 
1 1 1 -22 32 18 o 15.71159 6.951446 2.492889       21.09585 -12.33319      29.80548 17.37593       29.86268 15.98267 7.503798 19.94500 8.551452 -3.962337      11.37692 
1 1 1 -22 32 19 o 35.56754 6.766258 75.47372       22.69589 46.73788       31.94732 104.7538       32.24846 25.55524 9.528676 40.06431 8.487585 -14.50907      12.76067 
1 1 1 -22 32 20 o 37.61077 6.471226 82.94460       22.96444 55.79082       32.42933 110.2574       32.52412 27.54321 9.692022 41.35284 8.323566 -13.80963      12.77564 
1 1 1 -22 32 21 o 23.49876 7.985809 35.72186       21.93805 23.24965       30.50259 49.08682       31.57539 20.90813 8.789267 26.04638 9.514864 -5.138243      12.95314 
1 1 1 -22 32 22 o 15.54155 6.950031 0.8974031      21.66826 29.63554       31.01991 -26.48716      30.28057 22.06085 9.030469 14.68676 7.078166 7.374084       11.47387 
1 1 1 -22 32 23 o 20.30795 7.799069 24.05308       21.77604 2.765096       30.31775 46.73928       31.29757 17.77985 8.061346 25.50250 9.446041 -7.722645      12.41825 
1 1 1 -22 32 24 o 20.33803 8.159627 23.25092       24.74885 14.60241       29.71405 42.84000       44.71964 19.34762 8.412886 24.45531 10.47453 -5.107693      13.43474 
1 1 1 -22 32 25 o 15.42350 6.886382 1.197555       21.18457 1.560341       29.42038 0.8069024      30.52940 17.40310 7.910469 17.52734 8.002114 -0.1242352     11.25208 
1 1 1 -22 32 26 o 16.79617 7.324234 7.379775       22.65714 25.39000       35.42219 -5.090757      29.47531 21.44873 9.256101 16.53251 7.661175 4.916218       12.01537 
1 1 1 -22 32 27 o 20.90106 7.999259 26.81600       22.85510 39.40000       35.60787 17.99943       29.80482 23.64750 9.677069 19.74789 8.506059 3.899601       12.88405 
1 1 1 -22 32 28 o 28.75753 7.938885 54.50602       23.07948 0.2777000      35.53627 94.06617       30.35203 18.25277 8.442128 37.58691 8.455175 -19.33414      11.94820 
1 1 1 -22 32 29 o 16.88625 7.123396 11.17061       20.14740 -0.7349273     28.45732 23.13559       28.52827 16.70795 7.664667 20.32851 8.519903 -3.620558      11.46019 
1 1 1 -22 32 30 o 17.85525 7.501638 14.45997       22.20022 12.67831       28.15204 17.39000       36.10212 18.44123 8.099659 20.05830 8.970360 -1.617071      12.08602 
1 1 1 -22 32 31 o 27.38594 7.364284 48.86991       20.16653 37.68168       28.76580 59.68341       28.27998 22.90014 8.917802 28.29086 9.043082 -5.390720      12.70057 
1 1 1 -22 32 32 o 12.55405 5.925122 -11.80660      19.02333 -40.04073      26.12815 20.04431       27.75124 12.16524 6.010404 19.30922 8.260448 -7.143982      10.21567 
1 1 1 -22 32 33 o 16.12607 6.911684 9.480867       19.49570 16.22400       26.89925 2.019326       28.29591 18.51130 8.027181 16.67058 7.645807 1.840717       11.08576 
1 1 1 -22 33 1  o 32.26408 7.155161 63.20826       22.00432 -19.00000      56.27908 78.04325       23.90743 20.14113 9.692340 36.09151 7.020196 -15.95038      11.96765 
1 1 1 -22 33 2  o 28.27994 7.595266 50.23286       21.46765 21.47000       56.16383 55.15417       23.23172 23.13880 10.67033 29.39584 7.903893 -6.257038      13.27883 
1 1 1 -22 33 3  o 35.99461 6.354273 75.17667       21.56945 24.99000       55.80027 83.99281       23.38736 23.40984 10.73678 37.91718 6.537467 -14.50734      12.57048 
1 1 1 -22 33 4  f 15.46754 6.824033 2.278041       20.19150 33.45000       54.42772 -2.696633      21.74305 24.10301 10.87686 15.09499 6.837172 9.008022       12.84730 
1 1 1 -22 33 5  o 14.76936 6.655397 -1.934311      20.29431 -25.71000      52.95979 2.157925       21.97152 19.21854 9.286552 15.92826 7.068329 3.290272       11.67053 
1 1 1 -22 33 6  o 16.89735 7.189665 9.054133       20.82187 -24.37000      55.37738 14.55754       22.47078 19.60707 9.479620 18.35372 7.616516 1.253353       12.16037 
1 1 1 -22 33 7  o 20.69866 8.111286 24.47182       23.92043 -26.76000      56.21089 35.80107       26.43328 19.55073 9.475863 23.43953 8.681175 -3.888800      12.85126 
1 1 1 -22 33 8  o 20.76532 8.078519 24.93727       23.58783 49.67000       55.89850 19.57918       26.01770 25.65654 11.33520 19.86041 8.214478 5.796133       13.99873 
1 1 1 -22 33 9  o 23.46277 7.992634 35.30000       21.97731 43.07000       55.57424 33.85962       23.92782 24.92749 11.14007 22.97360 8.298687 1.953886       13.89134 
1 1 1 -22 33 10 o 18.77472 7.812052 15.75083       23.72924 0.000000       0.000000 15.75083       23.72924 ?        ?        18.77472 7.812052 ?              ?        
1 1 1 -22 33 11 o 27.38819 11.23662 62.15000       48.16525 0.000000       0.000000 62.15000       48.16525 ?        ?        27.38819 11.23662 ?              ?        
1 1 1 -22 33 12 f 37.61198 7.814429 88.65240       27.82847 131.9000       60.43274 77.01392       31.35013 36.30252 13.17799 33.25744 9.279832 3.045074       16.11753 
1 1 1 -22 33 13 o 27.53567 8.869509 52.05752       27.16736 37.90000       54.81973 56.66649       31.27847 24.43225 10.98012 28.04008 9.535388 -3.607830      14.54258 
1 1 1 -22 33 14 o 26.94608 8.810705 49.82079       26.75141 -7.847000      54.69122 67.95721       30.67092 20.51444 9.786537 30.97035 9.341955 -10.45591      13.52954 
1 1 1 -22 33 15 f 18.48792 7.571942 16.12265       21.82348 35.61000       52.54376 12.06015       23.99064 23.91242 10.74786 18.03952 7.697831 5.872894       13.22018 
1 1 1 -22 33 16 o 22.87365 7.992689 33.58889       22.02909 33.57000       53.14328 33.59281       24.20676 23.68949 10.71354 22.79322 8.330278 0.8962688      13.57106 
1 1 1 -22 33 17 o 37.56569 8.230006 91.30137       29.42346 34.48000       56.04636 112.9202       34.57062 23.91314 10.88851 41.12265 8.850913 -17.20951      14.03204 
1 1 1 -22 33 18 f 25.01275 9.017213 43.60586       28.23343 -8.943000      55.35984 62.07842       32.82288 20.34272 9.742948 28.80196 9.768299 -8.459234      13.79655 
1 1 1 -22 33 19 o 24.15792 8.875761 39.92248       27.53715 -38.35000      54.47715 66.78581       31.91463 18.43168 9.020313 30.11989 9.604365 -11.68821      13.17611 
1 1 1 -22 33 20 o 16.86519 7.616408 1.613263       26.74630 31.22000       53.18682 -8.407972      30.94350 23.35958 10.62502 16.56260 7.733742 6.796974       13.14161 
1 1 1 -22 33 21 o 18.88991 8.134972 14.25516       27.25119 -55.17000      53.73803 38.28939       31.61830 17.42800 8.612224 23.63297 9.306113 -6.204973      12.67967 
1 1 1 -22 33 22 f 17.73509 7.700913 9.954797       24.82524 24.29585       29.36053 -26.01000      46.49563 20.88117 8.689217 17.94763 8.679475 2.933540       12.28152 
1 1 1 -22 33 23 o 24.68769 8.506415 41.71628       24.91119 23.01428       29.31471 90.32000       47.25812 20.56201 8.628378 31.37561 11.60991 -10.81360      14.46510 
1 1 1 -22 33 24 o 29.09806 7.519247 54.23782       21.56924 56.28273       29.58502 51.91768       31.51322 27.69324 9.273713 26.33397 9.522162 1.359270       13.29185 
1 1 1 -22 33 25 o 17.00056 7.321392 9.408425       22.07337 -12.61000      32.00768 29.37671       30.48116 16.23555 7.669624 21.71984 8.928000 -5.484293      11.76998 
1 1 1 -22 33 26 o 17.93851 7.285558 15.80114       19.99966 -27.02905      26.56413 71.84747       30.38744 13.50326 6.537464 31.47627 9.251565 -17.97300      11.32828 
1 1 1 -22 33 27 o 20.70836 7.555661 26.95137       19.90188 25.03736       26.64299 29.36757       29.93474 20.49632 8.377148 21.48899 8.841894 -0.9926758     12.18014 
1 1 1 -22 33 28 o 15.93097 6.835958 8.030220       19.11177 3.486223       26.02803 13.34652       28.15314 16.66633 7.521239 18.50429 8.114416 -1.837955      11.06403 
1 1 1 -22 33 29 o 23.79754 7.559959 37.77561       19.78908 40.53874       26.97587 34.55605       29.11880 23.61196 8.765203 22.19542 8.869069 1.416538       12.46953 
1 1 1 -22 33 30 o 13.81449 6.389655 -5.561853      20.36074 20.61000       31.34771 -24.65961      26.77810 19.69005 8.600102 13.53783 6.556477 6.152227       10.81430 
1 1 1 -22 33 31 o 19.28582 8.097855 21.16318       25.84536 8.948000       53.36953 24.90552       29.54034 20.24662 9.661206 20.20494 8.579041 0.4167938E-01  12.92048 
1 1 1 -22 34 1  o 18.51227 7.486373 16.56070       21.01373 31.82000       52.04229 13.58819       22.96946 23.64327 10.65564 18.20211 7.637866 5.441164       13.11029 
1 1 1 -22 34 2  o 42.30014 5.682422 100.7078       22.93323 49.82000       54.12729 111.8416       25.31801 25.61479 11.24132 44.28874 5.993947 -18.67395      12.73949 
1 1 1 -22 34 3  o 15.19282 6.776415 0.5291201      20.45820 17.28000       54.14020 -2.261144      22.09651 22.41968 10.38713 15.21695 6.892456 7.202729       12.46589 
1 1 1 -22 34 4  o 19.43375 7.615128 20.40503       21.08245 40.19000       54.98657 16.99533       22.82694 24.60404 11.03187 18.88172 7.739874 5.722317       13.47620 
1 1 1 -22 34 5  o 35.60520 7.617153 79.01168       25.74406 48.53000       57.17225 86.76404       28.83252 25.48512 11.35009 36.68148 8.232842 -11.19636      14.02156 
1 1 1 -22 34 6  o 30.88564 8.280845 62.65082       25.54493 -5.127000      55.72934 80.67939       28.74225 20.82242 9.918227 35.03399 8.474771 -14.21157      13.04580 
1 1 1 -22 34 7  o 23.08258 8.009013 34.07093       22.09861 37.50000       55.98165 33.43796       24.05187 24.34025 11.00304 22.83955 8.310246 1.500702       13.78865 
1 1 1 -22 34 8  o 15.23549 6.856126 -0.8592445     21.45390 -119.4000      56.69674 18.95039       23.17728 15.47161 7.814649 19.32590 7.845227 -3.854293      11.07323 
1 1 1 -22 34 9  o 23.25256 10.20602 32.80000       44.63013 0.000000       0.000000 32.80000       44.63013 ?        ?        23.25256 10.20602 ?              ?        
1 1 1 -22 34 10 o 22.92726 8.130526 33.99907       22.85674 11.48000       58.31808 38.08604       24.84444 22.08150 10.40724 23.90501 8.476743 -1.823509      13.42259 
1 1 1 -22 34 11 o 16.13563 7.120798 4.034131       22.00060 8.150000       55.58234 3.269483       23.95724 21.57511 10.16600 16.48406 7.343936 5.091057       12.54117 
1 1 1 -22 34 12 o 22.13260 8.035001 31.07407       22.46773 29.67000       56.50736 31.33772       24.48650 23.40477 10.76026 22.18807 8.328066 1.216700       13.60661 
1 1 1 -22 34 13 o 23.56517 8.734233 37.18567       26.76643 54.60000       54.89805 31.75492       30.65727 25.85477 11.33460 22.41275 9.050076 3.442017       14.50438 
1 1 1 -22 34 14 o 23.90808 8.723380 38.75278       26.52918 54.85000       55.02779 33.87847       30.28053 25.78857 11.32548 22.76667 9.061829 3.021896       14.50460 
1 1 1 -22 34 15 o 16.74306 7.536147 2.216969       25.93630 12.12000       53.21737 -0.8680055     29.70265 21.59772 10.10357 17.13910 7.850564 4.458614       12.79505 
1 1 1 -22 34 16 o 45.96199 5.688152 119.5864       25.04471 42.24000       56.14875 138.7967       27.98254 24.42886 11.03350 49.27626 5.919944 -24.84739      12.52134 
1 1 1 -22 34 17 o 15.36269 6.934040 -0.6917554     22.13283 -33.31000      52.91349 6.225397       24.36687 18.43179 8.992158 17.00663 7.500034 1.425159       11.70937 
1 1 1 -22 34 18 o 23.78362 8.888785 38.79037       27.83288 60.88000       54.01714 30.80591       32.47582 26.37735 11.40677 22.19160 9.177997 4.185749       14.64070 
1 1 1 -22 34 19 o 20.06409 8.415041 20.81675       27.86059 12.75000       53.84608 23.76586       32.55743 21.63166 10.13353 21.00861 8.966241 0.6230431      13.53078 
1 1 1 -22 34 20 o 21.10362 7.918416 27.71809       22.13293 22.95000       51.70345 28.78786       24.49028 22.24925 10.25211 21.41595 8.258794 0.8333073      13.16485 
1 1 1 -22 34 21 o 25.49696 8.833783 46.13984       26.87996 -32.96000      53.36634 73.02948       31.11517 18.34462 8.967100 31.57704 9.382602 -13.23241      12.97853 
1 1 1 -22 34 22 o 17.27175 7.370080 11.09461       21.99055 2.743000       52.17851 12.89841       24.24932 20.48655 9.711724 18.01186 7.713929 2.474688       12.40251 
1 1 1 -22 34 23 o 18.40085 7.572548 16.62952       21.96175 4.850000       55.52079 18.81450       23.91200 20.94962 9.956283 19.11061 7.886868 1.839006       12.70158 
1 1 1 -22 34 24 o 17.30501 7.497725 10.17460       23.42741 0.000000       0.000000 10.17460       23.42741 ?        ?        17.30501 7.497725 ?              ?        
1 1 1 -22 34 25 o 13.79788 6.416842 -7.950328      20.96293 -21.84000      51.52092 -5.194642      22.94841 18.50445 8.992695 14.74292 6.806485 3.761530       11.27816 
1 1 1 -22 34 26 o 16.03288 7.004292 6.802647       20.80345 52.89000       50.94178 -2.421796      22.79047 24.53734 10.83172 15.03067 6.881759 9.506666       12.83295 
1 1 1 -22 34 27 o 23.38596 7.914532 37.57810       21.54638 -5.448000      53.00337 46.09570       23.58284 19.41226 9.357849 25.50586 8.267772 -6.093597      12.48701 
1 1 1 -22 34 28 o 13.87232 6.408745 -5.035365      20.39319 -59.65000      50.98556 5.366174       22.25059 16.11920 8.036380 15.94305 7.091769 0.1761513      10.71805 
1 1 1 -22 34 29 o 27.67330 7.632065 51.78458       21.34177 8.763000       52.30712 60.37679       23.37599 20.07540 9.575358 29.66636 7.906999 -9.590969      12.41806 
1 1 1 -22 35 1  o 20.51164 7.833678 25.00710       21.88842 -30.49000      53.17207 36.33033       24.01783 18.67141 9.087861 23.43812 8.332188 -4.766706      12.32942 
1 1 1 -22 35 2  o 32.36922 7.385934 65.45435       22.88313 -1.742000      54.87841 79.59682       25.17628 20.73138 9.865639 35.76127 7.435150 -15.02989      12.35363 
1 1 1 -22 35 3  o 51.49229 4.997568 145.2994       24.87238 132.7000       58.59930 148.0681       27.46957 36.13326 12.99535 51.36070 5.552208 -15.22744      14.13174 
1 1 1 -22 35 4  o 19.80409 8.035317 21.09935       24.29993 -9.217000      56.03294 28.12169       26.96783 20.34361 9.758885 21.48814 8.552167 -1.144535      12.97596 
1 1 1 -22 35 5  o 18.15537 7.782383 12.36858       24.72250 13.71000       55.85599 12.04176       27.57012 21.97149 10.30176 18.58092 8.091296 3.390568       13.09944 
1 1 1 -22 35 6  o 24.85448 8.847288 42.75571       27.08744 11.05000       57.29818 51.88094       30.73930 21.87854 10.31289 26.65656 9.431151 -4.778019      13.97506 
1 1 1 -22 35 7  o 21.85838 8.992439 29.08970       30.95629 0.000000       0.000000 29.08970       30.95629 ?        ?        21.85838 8.992439 ?              ?        
1 1 1 -22 35 8  o 18.65517 7.784428 16.07293       23.65952 0.000000       0.000000 16.07293       23.65952 ?        ?        18.65517 7.784428 ?              ?        
1 1 1 -22 35 9  o 19.01624 7.686762 18.82416       22.14270 -14.42000      55.20511 25.19790       24.17234 19.83407 9.558434 20.63823 8.133809 -0.8041630     12.55080 
1 1 1 -22 35 10 o 30.32952 7.727370 59.24127       23.00220 -18.72000      54.77338 75.93453       25.34549 19.50302 9.428939 34.55991 7.690598 -15.05689      12.16759 
1 1 1 -22 35 11 o 35.85739 7.053391 78.59181       23.87375 -34.06000      55.65727 103.9922       26.42855 18.71921 9.151773 41.75976 6.691486 -23.04055      11.33715 
1 1 1 -22 35 12 o 45.63549 5.560658 117.4152       24.32682 152.1000       57.63931 109.8978       26.83388 39.60128 12.93193 43.07373 6.572326 -3.472443      14.50622 
1 1 1 -22 35 13 o 16.79052 7.314670 7.458498       22.55133 17.01000       53.26235 5.372210       24.89268 21.89982 10.19942 16.94733 7.521883 4.952486       12.67308 
1 1 1 -22 35 14 o 23.45846 8.776358 37.50574       27.14757 -5.452000      53.24808 52.59341       31.55689 20.15807 9.627548 26.55821 9.538380 -6.400139      13.55250 
1 1 1 -22 35 15 o 18.29712 7.971087 11.63619       26.78102 55.64000       53.17751 -3.316992      30.99913 25.67151 11.20715 17.04876 7.885098 8.622751       13.70310 
1 1 1 -22 35 16 o 24.45104 8.840158 41.81168       27.15963 16.91000       53.71233 50.36568       31.48071 21.85294 10.19913 26.01537 9.501048 -4.162432      13.93888 
1 1 1 -22 35 17 o 13.71834 6.462332 -12.81996      22.43490 -75.57000      51.53788 1.850812       24.91988 15.98522 7.986630 16.34164 7.368440 -0.3564205     10.86647 
1 1 1 -22 35 18 o 15.13235 6.848652 -0.8442070     21.76436 -31.54000      51.79874 5.736794       23.98423 18.15364 8.865265 16.70884 7.401403 1.444807       11.54875 
1 1 1 -22 35 19 o 18.92703 8.630370 7.671027       35.36911 44.50000       53.36544 -21.18000      47.23305 24.12906 10.83953 18.13433 8.764473 5.994728       13.93956 
1 1 1 -22 35 20 o 26.16823 9.310363 51.02029       29.99377 28.64000       53.87498 61.07273       36.10688 22.64655 10.44595 27.47566 10.15149 -4.829105      14.56608 
1 1 1 -22 35 21 o 12.07075 5.855485 -25.23598      21.58391 23.32000       51.98543 -35.34969      23.72551 21.97100 10.17893 11.90445 5.851695 10.06655       11.74108 
1 1 1 -22 35 22 o 20.28824 8.111668 25.11826       24.37204 0.000000       0.000000 25.11826       24.37204 ?        ?        20.28824 8.111668 ?              ?        
1 1 1 -22 35 23 o 17.45621 7.408126 13.03004       22.00776 42.72000       53.12440 6.879084       24.18024 23.46410 10.65142 16.75913 7.427226 6.704975       12.98524 
1 1 1 -22 35 24 o 17.68707 7.425733 14.75528       21.72932 1.830000       51.73381 17.52399       23.94378 19.82270 9.473467 18.52954 7.788145 1.293158       12.26384 
1 1 1 -22 35 25 o 21.23740 7.890430 30.32220       21.86880 62.28000       52.60550 23.64548       24.04498 25.02909 11.02969 19.67718 7.989662 5.351902       13.61942 
1 1 1 -22 35 26 o 25.04651 7.985545 44.31246       22.06344 106.1000       53.38119 31.58246       24.22992 30.22235 12.03097 21.32020 8.216645 8.902153       14.56906 
1 1 1 -22 35 27 o 19.81894 7.712574 25.30023       21.50414 56.44000       51.28140 18.65623       23.68738 24.10242 10.74091 18.48821 7.757009 5.614212       13.24909 
1 1 1 -22 36 1  o 22.65454 8.142100 33.60318       22.99874 -33.15000      54.49854 48.06708       25.36832 18.57365 9.075330 26.35344 8.577476 -7.779791      12.48738 
1 1 1 -22 36 2  o 24.48933 8.714295 41.54473       26.27708 6.367000       54.78091 52.05764       29.94724 21.14546 10.00242 26.64333 9.318440 -5.497871      13.67047 
1 1 1 -22 36 3  o 36.63018 7.806729 85.79013       27.13428 67.98000       56.68784 91.08353       30.90466 26.93279 11.66612 36.61066 8.744486 -9.677864      14.57958 
1 1 1 -22 36 4  o 22.27344 8.772571 32.30715       28.10182 28.48000       55.13059 33.65061       32.66388 22.94538 10.57775 22.61868 9.263646 0.3267002      14.06073 
1 1 1 -22 36 5  o 24.64603 8.363945 41.29345       24.06395 -30.26000      58.48685 55.87474       26.40224 19.20672 9.388278 28.30743 8.693683 -9.100710      12.79531 
1 1 1 -22 36 6  o 22.44624 8.423253 33.14382       25.04673 0.000000       0.000000 33.14382       25.04673 ?        ?        22.44624 8.423253 ?              ?        
1 1 1 -22 36 7  o 22.67204 8.102379 33.73872       22.74017 -53.99000      54.65839 52.10230       25.00718 17.48967 8.650535 27.53424 8.461738 -10.04457      12.10094 
1 1 1 -22 36 8  f 28.46610 8.102416 54.12243       23.65479 -14.86000      55.70510 69.29793       26.12747 19.74597 9.537194 32.23921 8.247170 -12.49323      12.60849 
1 1 1 -22 36 9  o 38.39309 6.661319 88.29075       24.12613 42.29000       56.88679 98.37940       26.64070 24.18566 10.99592 40.15457 7.034266 -15.96892      13.05339 
1 1 1 -22 36 10 o 25.39270 8.243770 43.73041       23.44095 17.97000       54.65166 49.53791       25.94906 21.95936 10.26166 26.59308 8.676441 -4.633720      13.43809 
1 1 1 -22 36 11 o 38.21959 6.751370 88.03680       24.33377 -17.13000      56.60286 111.8801       26.95143 19.66841 9.527184 43.38499 6.550393 -23.71657      11.56179 
1 1 1 -22 36 12 o 17.62196 7.490040 12.39950       22.55669 24.20000       52.58305 9.738295       24.97094 22.25179 10.28379 17.57872 7.676861 4.673061       12.83318 
1 1 1 -22 36 13 o 21.96894 8.174886 31.65158       23.49125 -17.55000      52.10305 44.20485       26.31796 19.00163 9.188888 24.96586 8.735292 -5.964231      12.67837 
1 1 1 -22 36 14 o 21.11306 8.094250 28.27984       23.42797 27.70000       50.72420 28.43707       26.41415 22.34923 10.24530 21.22446 8.458424 1.124771       13.28575 
1 1 1 -22 36 15 o 23.95140 8.897804 40.88114       27.80783 39.26000       51.86096 41.53532       32.94411 23.48869 10.60683 23.80596 9.459644 -0.3172665     14.21231 
1 1 1 -22 36 16 o 19.28481 8.184084 18.36568       26.85917 28.18000       52.40345 14.86878       31.28034 22.44889 10.33584 19.26426 8.496577 3.184631       13.37989 
1 1 1 -22 36 17 o 19.54906 8.290229 19.50430       27.52667 103.1000       54.56984 -9.026174      31.87977 31.27213 12.25232 16.45144 7.735389 14.82070       14.48984 
1 1 1 -22 36 18 f 15.16262 7.105159 -9.230344      26.50466 -20.12000      51.02396 -5.206061      31.01782 18.54477 8.997634 16.61210 7.752284 1.932667       11.87667 
1 1 1 -22 36 19 o 31.97987 8.987029 74.21127       29.29222 47.50000       53.63161 85.56687       34.96862 23.95820 10.80559 32.87297 9.987593 -8.914770      14.71437 
1 1 1 -22 36 20 o 21.02644 9.048473 27.19540       33.66796 0.000000       0.000000 27.19540       33.66796 ?        ?        21.02644 9.048473 ?              ?        
1 1 1 -22 36 21 o 15.83220 7.245890 -0.2745512     25.23313 0.000000       0.000000 -0.2745512     25.23313 ?        ?        15.83220 7.245890 ?              ?        
1 1 1 -22 36 22 o 21.00558 7.976882 29.59618       22.61511 68.63000       52.88536 20.86098       25.01793 25.67933 11.19403 19.15951 8.000572 6.519817       13.75920 
1 1 1 -22 36 23 o 18.37840 7.587208 18.76500       22.13934 -17.74000      51.20421 27.15866       24.55303 18.17886 8.863690 20.31951 8.135787 -2.140650      12.03146 
1 1 1 -22 36 24 o 12.18181 5.887166 -21.07472      21.30217 -15.32000      51.74153 -22.24923      23.37513 18.30346 8.921261 12.70686 6.147228 5.596596       10.83408 
1 1 1 -22 36 25 o 19.63560 8.598024 22.75956       31.50671 1.763000       50.78211 35.90000       40.17369 19.12139 9.202950 21.67788 9.591929 -2.556486      13.29283 
1 1 1 -22 37 1  o 33.32980 9.678600 83.40833       33.43407 24.55000       54.46482 119.0000       42.35321 22.28642 10.35726 38.39531 10.81230 -16.10889      14.97259 
1 1 1 -22 37 2  o 20.30825 9.031363 18.40250       36.06437 18.99000       52.83548 17.89000       49.34835 21.71911 10.12966 21.38371 9.910513 0.3353977      14.17139 
1 1 1 -22 37 3  o 36.48820 6.970125 81.81724       23.98679 21.13000       55.48832 95.76418       26.60066 22.04127 10.31296 39.30178 7.179173 -17.26051      12.56573 
1 1 1 -22 37 4  o 19.44186 8.045835 20.25957       24.97939 0.000000       0.000000 20.25957       24.97939 ?        ?        19.44186 8.045835 ?              ?        
1 1 1 -22 37 5  o 29.23007 8.678633 60.26812       26.62930 0.000000       0.000000 60.26812       26.62930 ?        ?        29.23007 8.678633 ?              ?        
1 1 1 -22 37 6  o 19.20712 7.804615 20.22905       22.96407 15.07000       53.53053 21.39262       25.42216 21.37210 10.04108 19.68503 8.128815 1.687065       12.91901 
1 1 1 -22 37 7  o 23.57488 8.201750 37.88309       23.18259 -21.51000      53.20861 51.79923       25.75570 18.81490 9.142469 27.02863 8.629031 -8.213728      12.57159 
1 1 1 -22 37 8  o 14.81839 6.813772 -4.322925      22.67103 6.485000       52.93797 -6.750332      25.08808 20.64049 9.783949 15.13862 7.033386 5.501869       12.04965 
1 1 1 -22 37 9  o 20.39641 7.968662 25.55420       23.02863 23.80000       53.94407 25.94514       25.46571 22.06427 10.27214 20.59768 8.272418 1.466587       13.18900 
1 1 1 -22 37 10 o 12.55308 6.065565 -23.51810      22.58910 19.29000       52.82280 -33.09871      24.98934 21.60336 10.09307 12.46254 6.101219 9.140820       11.79385 
1 1 1 -22 37 11 o 35.50724 7.249682 79.15620       24.34342 37.94000       53.89470 89.72040       27.28540 23.30402 10.63664 37.30198 7.727289 -13.99796      13.14721 
1 1 1 -22 37 12 o 24.07184 8.282841 39.95654       23.61622 60.48000       52.95720 34.86183       26.38512 25.65942 11.19322 22.57105 8.605499 3.088369       14.11888 
1 1 1 -22 37 13 o 17.79090 7.624663 12.88272       23.72204 -11.59000      52.47719 19.16794       26.59436 19.28152 9.298940 19.32546 8.169853 -0.4393768E-01 12.37808 
1 1 1 -22 37 14 o 24.66723 8.374562 42.84969       24.12531 55.85000       53.57001 39.54221       27.02052 24.85250 11.03227 23.48490 8.761910 1.367599       14.08837 
1 1 1 -22 37 15 o 14.74230 6.821487 -5.273503      23.23967 -48.35000      51.14369 5.935255       26.08859 16.87306 8.349570 16.95583 7.600999 -0.8277321E-01 11.29117 
1 1 1 -22 37 16 f 19.27084 8.612285 15.37443       33.21667 4.335000       52.35899 22.81000       42.97095 20.08123 9.578686 20.96999 9.542854 -0.8887615     13.52099 
1 1 1 -22 37 17 o 20.58694 8.427823 27.08644       27.02061 13.61000       51.32372 32.25413       31.78181 20.58935 9.721994 21.65237 9.027667 -1.063021      13.26710 
1 1 1 -22 37 18 o 17.29908 7.709487 8.835437       26.42321 2.479000       51.72436 11.07999       30.73638 19.69036 9.427050 18.25434 8.211214 1.436020       12.50173 
1 1 1 -22 37 19 o 15.13273 7.053178 -5.460566      25.54824 0.000000       0.000000 -5.460566      25.54824 ?        ?        15.13273 7.053178 ?              ?        
1 1 1 -22 37 20 o 20.78217 8.558036 29.52252       28.07355 9.734000       51.30463 37.97994       33.54043 19.89381 9.487194 22.24286 9.273984 -2.349049      13.26701 
1 1 1 -22 37 21 o 12.62005 6.213022 -35.76276      27.08492 -127.6000      50.73102 0.8511099      32.03222 13.55074 6.900585 16.98155 7.909116 -3.430813      10.49629 
1 1 1 -22 37 22 o 20.62683 8.334826 29.56602       26.02339 43.55000       51.43036 24.75360       30.17072 22.43978 10.29778 19.85488 8.555180 2.584906       13.38788 
1 1 1 -22 38 1  o 28.90364 8.622750 59.22227       26.23819 0.000000       0.000000 59.22227       26.23819 ?        ?        28.90364 8.622750 ?              ?        
1 1 1 -22 38 2  o 19.49832 8.086735 20.90229       25.31002 0.000000       0.000000 20.90229       25.31002 ?        ?        19.49832 8.086735 ?              ?        
1 1 1 -22 38 3  o 32.02290 11.03092 91.09000       41.89045 0.000000       0.000000 91.09000       41.89045 ?        ?        32.02290 11.03092 ?              ?        
1 1 1 -22 38 4  o 20.28580 7.930115 25.40581       22.81739 -26.97000      53.77280 36.90727       25.19845 18.45879 9.018239 23.04218 8.486290 -4.583389      12.38329 
1 1 1 -22 38 5  o 19.16226 7.814182 20.37783       23.11831 -74.63000      52.34327 43.40242       25.76778 15.96636 7.987939 24.62078 8.641347 -8.654421      11.76775 
1 1 1 -22 38 6  o 36.45559 7.045162 82.80432       24.22997 10.59000       52.55840 102.2943       27.30462 20.72503 9.801715 40.47374 7.153773 -19.74871      12.13466 
1 1 1 -22 38 7  f 33.27253 7.472219 71.42435       23.73882 44.57000       51.89699 78.52996       26.69533 23.62203 10.64388 34.17068 8.104692 -10.54865      13.37827 
1 1 1 -22 38 8  o 15.92365 7.099947 4.189798       22.43830 -33.72000      50.63361 13.45391       25.03024 17.54492 8.609009 17.96792 7.767458 -0.4229965     11.59519 
1 1 1 -22 38 9  o 30.34562 7.885448 61.98740       23.63275 8.042000       52.26425 75.85222       26.49626 20.34216 9.665378 33.37333 8.176482 -13.03117      12.65995 
1 1 1 -22 38 10 o 22.94532 8.299869 36.94611       23.94495 21.51000       52.43720 41.01286       26.91499 21.35263 10.00194 23.66978 8.761114 -2.317148      13.29646 
1 1 1 -22 38 11 o 30.91296 8.021380 65.13284       24.47795 -18.83000      52.96081 87.94126       27.60316 18.56870 9.045023 36.23889 7.996440 -17.67019      12.07292 
1 1 1 -22 38 12 o 19.72391 7.936458 23.85065       23.48651 -46.31000      50.81473 42.91066       26.48527 16.78187 8.307717 24.07864 8.726366 -7.296768      12.04855 
1 1 1 -22 38 13 o 14.88649 6.867303 -3.446018      23.29354 -19.68000      51.63516 0.7018322      26.10024 18.24711 8.897840 16.07850 7.362642 2.168610       11.54903 
1 1 1 -22 38 14 o 20.27715 8.419708 26.26460       27.48291 5.514000       51.42055 34.56271       32.51702 19.76331 9.444990 21.84052 9.120718 -2.077213      13.12994 
1 1 1 -22 38 15 o 19.09799 8.184975 20.12863       27.33746 -51.42000      51.63725 47.99157       32.22374 16.47948 8.195004 24.24573 9.439508 -7.766253      12.50050 
1 1 1 -22 38 16 o 34.63042 7.676512 80.36549       25.33759 32.25000       53.14241 94.52135       28.82485 21.65514 10.11933 36.95456 8.184721 -15.29943      13.01501 
1 1 1 -22 38 17 o 19.74503 8.642552 23.41154       31.80631 0.000000       0.000000 23.41154       31.80631 ?        ?        19.74503 8.642552 ?              ?        
1 1 1 -22 38 18 o 11.90733 5.904218 -41.70440      26.05743 -33.01000      51.70639 -44.66415      30.16839 17.21312 8.495193 12.80049 6.348102 4.412627       10.60503 
1 1 1 -22 38 19 o 19.09107 8.534828 19.31280       32.65120 52.26000       51.14952 -3.346000      42.41805 23.06291 10.46228 17.80401 8.527417 5.258905       13.49726 
1 1 1 -22 39 1  o 16.81750 7.918411 -5.048272      33.61066 0.000000       0.000000 -5.048272      33.61066 ?        ?        16.81750 7.918411 ?              ?        
1 1 1 -22 39 2  o 21.56043 8.700331 32.61744       28.31341 13.27000       50.29393 41.59394       34.25763 20.30984 9.600228 23.05805 9.470080 -2.748211      13.48506 
1 1 1 -22 39 3  o 15.72137 7.085453 2.984712       23.01165 -51.63000      52.06918 16.24086       25.65279 16.61729 8.257787 18.34306 7.896061 -1.725765      11.42536 
1 1 1 -22 39 4  o 27.56963 9.624963 62.33925       31.94127 0.000000       0.000000 62.33925       31.94127 ?        ?        27.56963 9.624963 ?              ?        
1 1 1 -22 39 5  f 22.85894 8.759381 38.79422       27.42763 46.74000       52.84948 35.86526       32.08702 23.23023 10.57595 22.07332 9.125398 1.156912       13.96866 
1 1 1 -22 39 6  o 14.54278 6.884119 -11.64066      26.03725 14.79000       51.72678 -20.61006      30.13304 20.43864 9.683308 14.65159 7.061137 5.787051       11.98441 
1 1 1 -22 39 7  o 16.94947 7.400502 10.61383       23.19489 24.37000       50.97881 7.022635       26.04716 21.10212 9.877254 16.86443 7.574707 4.237692       12.44734 
1 1 1 -22 39 8  o 22.26550 8.189047 35.36377       23.45090 -30.36000      51.24105 52.77690       26.37517 17.43794 8.577242 26.36676 8.754497 -8.928818      12.25603 
1 1 1 -22 39 9  o 31.74052 7.849436 68.87133       24.24914 99.71000       53.45716 60.88164       27.20966 29.06056 11.87043 28.28723 8.848749 0.7733326      14.80565 
1 1 1 -22 39 10 o 23.14129 8.300896 39.28577       23.89163 4.394000       51.53798 48.83647       26.96394 19.45104 9.338198 25.08208 8.836679 -5.631037      12.85647 
1 1 1 -22 39 11 o 29.48045 8.166081 62.05221       24.37341 87.89000       53.23834 55.20064       27.41523 27.21305 11.53432 26.53659 8.927588 0.6764660      14.58569 
1 1 1 -22 39 12 o 22.01334 8.327946 35.68694       24.59383 -34.90000      50.78915 57.30813       28.10920 16.93649 8.369935 26.79288 9.039953 -9.856398      12.31976 
1 1 1 -22 39 13 o 22.24333 8.715637 37.77446       27.61513 29.68000       51.81550 40.98569       32.63637 21.16163 9.922082 22.53611 9.248133 -1.374479      13.56376 
1 1 1 -22 39 14 o 13.57554 6.445213 -12.34557      23.15020 -18.64000      49.79593 -10.61003      26.14771 17.68675 8.649026 14.52044 6.880957 3.166312       11.05229 
1 1 1 -22 39 15 o 18.20275 8.680265 2.172000       42.93614 0.000000       0.000000 2.172000       42.93614 ?        ?        18.20275 8.680265 ?              ?        
1 1 1 -22 40 1  o 31.00346 8.122104 68.47940       24.93844 77.00000       53.97891 66.16716       28.11936 25.48731 11.20431 29.05161 8.980788 -3.564304      14.35935 
1 1 1 -22 40 2  o 18.83565 8.281919 19.15077       29.50674 -28.45000      51.18394 42.84430       36.11117 17.25108 8.502185 22.56417 9.528595 -5.313087      12.77033 
1 1 1 -22 40 3  o 19.87888 8.452643 25.92575       28.74658 -19.68000      50.74339 47.47936       34.88427 17.67311 8.660879 23.41524 9.579693 -5.742130      12.91438 
1 1 1 -22 40 4  o 12.47251 6.064425 -24.24456      23.51144 -138.6000      50.50296 7.398017       26.56589 13.12731 6.702570 16.77692 7.582274 -3.649616      10.12005 
1 1 1 -22 40 5  o 28.37834 8.345601 59.36274       24.72168 40.99000       52.61626 64.56770       28.00539 22.02767 10.21741 28.66667 8.978642 -6.639002      13.60190 
1 1 1 -22 40 6  o 21.95843 9.218126 38.24770       33.48016 0.000000       0.000000 38.24770       33.48016 ?        ?        21.95843 9.218126 ?              ?        
1 1 1 -22 40 7  o 19.54727 8.002528 25.04214       24.36356 -46.30000      50.65392 46.51394       27.78909 16.29790 8.106679 24.07589 8.903911 -7.777981      12.04151 
1 1 1 -22 40 8  o 18.64968 8.532049 15.05305       34.94107 -7.218000      50.25096 35.90000       48.61779 18.22760 8.863412 21.36783 9.879915 -3.140224      13.27301 
1 1 1 -22 40 9  o 17.04580 8.053508 -0.2378341     35.31489 -24.32000      51.37774 21.33000       48.62174 17.31110 8.529172 20.02572 9.457900 -2.714626      12.73572 
1 1 1 -21 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  2  o 90.03976 4.138641 400.0948       36.29918 400.0948       36.29918 400.0948       36.29918 90.03976 4.138641 90.03976 4.138641 0.000000       0.000000 
1 1 1 -21 0  3  o 164.1625 5.204554 1327.223       83.43980 1327.223       83.43980 1327.223       83.43980 164.1625 5.204554 164.1625 5.204554 0.000000       0.000000 
1 1 1 -21 0  4  o 58.53249 4.534173 171.0858       25.60958 171.0858       25.60958 171.0858       25.60958 58.53249 4.534173 58.53249 4.534173 0.000000       0.000000 
1 1 1 -21 0  5  o 112.6992 4.389935 625.9169       48.25953 625.9169       48.25953 625.9169       48.25953 112.6992 4.389935 112.6992 4.389935 0.000000       0.000000 
1 1 1 -21 0  6  o 33.67622 6.791584 62.06512       19.83817 62.06512       19.83817 62.06512       19.83817 33.67622 6.791584 33.67622 6.791584 0.000000       0.000000 
1 1 1 -21 0  7  o 57.43778 4.685912 165.1077       25.92833 165.1077       25.92833 165.1077       25.92833 57.43778 4.685912 57.43778 4.685912 0.000000       0.000000 
1 1 1 -21 0  8  o 72.71256 4.268113 262.0385       30.13573 262.0385       30.13573 262.0385       30.13573 72.71256 4.268113 72.71256 4.268113 0.000000       0.000000 
1 1 1 -21 0  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  10 o 135.4033 4.673730 903.2578       61.77645 903.2578       61.77645 903.2578       61.77645 135.4033 4.673730 135.4033 4.673730 0.000000       0.000000 
1 1 1 -21 0  11 o 13.07766 7.840263 8.697391       17.96324 8.697391       17.96324 8.697391       17.96324 13.07766 7.840263 13.07766 7.840263 0.000000       0.000000 
1 1 1 -21 0  12 o 11.68294 7.366385 3.044379       17.84085 3.044379       17.84085 3.044379       17.84085 11.68294 7.366385 11.68294 7.366385 0.000000       0.000000 
1 1 1 -21 0  13 o 58.84872 4.622207 173.1839       26.23665 173.1839       26.23665 173.1839       26.23665 58.84872 4.622207 58.84872 4.622207 0.000000       0.000000 
1 1 1 -21 0  14 o 75.97212 4.265013 286.0264       31.48586 286.0264       31.48586 286.0264       31.48586 75.97212 4.265013 75.97212 4.265013 0.000000       0.000000 
1 1 1 -21 0  15 o 22.21768 9.183853 34.27583       19.82414 34.27583       19.82414 34.27583       19.82414 22.21768 9.183853 22.21768 9.183853 0.000000       0.000000 
1 1 1 -21 0  16 o ?        ?        -77.45059      14.87649 -77.45059      14.87649 -77.45059      14.87649 ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  17 o 6.774779 4.894333 -31.65676      16.77266 -31.65676      16.77266 -31.65676      16.77266 6.774779 4.894333 6.774779 4.894333 0.000000       0.000000 
1 1 1 -21 0  18 o 90.58797 4.275101 406.0109       37.71426 406.0109       37.71426 406.0109       37.71426 90.58797 4.275101 90.58797 4.275101 0.000000       0.000000 
1 1 1 -21 0  19 f 64.01854 4.474362 204.5076       27.71755 204.5076       27.71755 204.5076       27.71755 64.01854 4.474362 64.01854 4.474362 0.000000       0.000000 
1 1 1 -21 0  20 o 11.03239 7.101720 0.4190064      17.64170 0.4190064      17.64170 0.4190064      17.64170 11.03239 7.101720 11.03239 7.101720 0.000000       0.000000 
1 1 1 -21 0  21 o 44.87949 5.484772 103.7423       23.13366 103.7423       23.13366 103.7423       23.13366 44.87949 5.484772 44.87949 5.484772 0.000000       0.000000 
1 1 1 -21 0  22 o 69.44772 4.492611 240.5479       30.24253 240.5479       30.24253 240.5479       30.24253 69.44772 4.492611 69.44772 4.492611 0.000000       0.000000 
1 1 1 -21 0  23 o 18.10302 9.285365 24.24957       20.89358 24.24957       20.89358 24.24957       20.89358 18.10302 9.285365 18.10302 9.285365 0.000000       0.000000 
1 1 1 -21 0  24 f 49.48594 6.838936 128.5000       31.32543 128.5000       31.32543 128.5000       31.32543 49.48594 6.838936 49.48594 6.838936 0.000000       0.000000 
1 1 1 -21 0  25 o 60.80000 9.067517 198.2000       50.43259 198.2000       50.43259 198.2000       50.43259 60.80000 9.067517 60.80000 9.067517 0.000000       0.000000 
1 1 1 -21 0  26 o 104.3608 4.487198 540.9040       45.64400 540.9040       45.64400 540.9040       45.64400 104.3608 4.487198 104.3608 4.487198 0.000000       0.000000 
1 1 1 -21 0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  28 o 31.69901 8.819244 60.79320       23.67152 60.79320       23.67152 60.79320       23.67152 31.69901 8.819244 31.69901 8.819244 0.000000       0.000000 
1 1 1 -21 0  29 o 79.07188 4.685266 312.8987       35.96870 312.8987       35.96870 312.8987       35.96870 79.07188 4.685266 79.07188 4.685266 0.000000       0.000000 
1 1 1 -21 0  30 o 18.57311 11.64432 14.43000       43.89536 14.43000       43.89536 14.43000       43.89536 18.57311 11.64432 18.57311 11.64432 0.000000       0.000000 
1 1 1 -21 0  31 o 20.28185 12.37302 24.07000       46.38759 24.07000       46.38759 24.07000       46.38759 20.28185 12.37302 20.28185 12.37302 0.000000       0.000000 
1 1 1 -21 0  32 o 8.149804 5.920727 -54.26974      26.39554 -54.26974      26.39554 -54.26974      26.39554 8.149804 5.920727 8.149804 5.920727 0.000000       0.000000 
1 1 1 -21 0  33 o 10.32251 7.201296 -23.17046      26.44546 -23.17046      26.44546 -23.17046      26.44546 10.32251 7.201296 10.32251 7.201296 0.000000       0.000000 
1 1 1 -21 0  34 o 17.85555 10.81105 19.39000       34.84630 19.39000       34.84630 19.39000       34.84630 17.85555 10.81105 17.85555 10.81105 0.000000       0.000000 
1 1 1 -21 0  35 o 25.32919 12.66594 52.72000       38.33287 52.72000       38.33287 52.72000       38.33287 25.32919 12.66594 25.32919 12.66594 0.000000       0.000000 
1 1 1 -21 0  36 o 16.90740 10.03423 19.25483       28.86482 19.25483       28.86482 19.25483       28.86482 16.90740 10.03423 16.90740 10.03423 0.000000       0.000000 
1 1 1 -21 0  37 o 14.59477 9.269050 7.448546       28.83353 7.448546       28.83353 7.448546       28.83353 14.59477 9.269050 14.59477 9.269050 0.000000       0.000000 
1 1 1 -21 0  38 o 42.84346 8.739975 106.1675       32.41991 106.1675       32.41991 106.1675       32.41991 42.84346 8.739975 42.84346 8.739975 0.000000       0.000000 
1 1 1 -21 0  39 o 39.85968 9.789438 96.93983       33.07307 96.93983       33.07307 96.93983       33.07307 39.85968 9.789438 39.85968 9.789438 0.000000       0.000000 
1 1 1 -21 0  40 o 41.32534 9.585410 102.8870       33.72728 102.8870       33.72728 102.8870       33.72728 41.32534 9.585410 41.32534 9.585410 0.000000       0.000000 
1 1 1 -21 0  41 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 0  42 o 12.71123 8.604340 -9.358149      31.65952 -9.358149      31.65952 -9.358149      31.65952 12.71123 8.604340 12.71123 8.604340 0.000000       0.000000 
1 1 1 -21 0  43 o 21.94770 11.80910 42.20112       35.06454 42.20112       35.06454 42.20112       35.06454 21.94770 11.80910 21.94770 11.80910 0.000000       0.000000 
1 1 1 -21 0  44 o 18.23782 10.89567 25.79115       34.45790 25.79115       34.45790 25.79115       34.45790 18.23782 10.89567 18.23782 10.89567 0.000000       0.000000 
1 1 1 -21 0  45 o 16.21995 10.20134 15.12064       33.97923 15.12064       33.97923 15.12064       33.97923 16.21995 10.20134 16.21995 10.20134 0.000000       0.000000 
1 1 1 -21 0  46 o 13.43381 9.047813 -5.634042      34.16518 -5.634042      34.16518 -5.634042      34.16518 13.43381 9.047813 13.43381 9.047813 0.000000       0.000000 
1 1 1 -21 0  47 o 15.53161 10.00864 9.791028       35.16171 9.791028       35.16171 9.791028       35.16171 15.53161 10.00864 15.53161 10.00864 0.000000       0.000000 
1 1 1 -21 0  48 o 12.82034 9.155395 -55.71000      51.75184 -55.71000      51.75184 -55.71000      51.75184 12.82034 9.155395 12.82034 9.155395 0.000000       0.000000 
1 1 1 -21 0  49 o 12.89622 8.840652 -13.33629      35.73265 -13.33629      35.73265 -13.33629      35.73265 12.89622 8.840652 12.89622 8.840652 0.000000       0.000000 
1 1 1 -21 0  50 o 14.35295 9.986739 -24.34000      49.95800 -24.34000      49.95800 -24.34000      49.95800 14.35295 9.986739 14.35295 9.986739 0.000000       0.000000 
1 1 1 -21 0  51 f 96.09139 8.386744 516.6000       77.44140 516.6000       77.44140 516.6000       77.44140 96.09139 8.386744 96.09139 8.386744 0.000000       0.000000 
1 1 1 -21 0  52 o 16.96579 10.72261 18.84039       38.05141 18.84039       38.05141 18.84039       38.05141 16.96579 10.72261 16.96579 10.72261 0.000000       0.000000 
1 1 1 -21 0  53 o 21.96106 13.27269 49.42000       52.32345 49.42000       52.32345 49.42000       52.32345 21.96106 13.27269 21.96106 13.27269 0.000000       0.000000 
1 1 1 -21 0  54 o 68.50047 6.982880 258.8953       45.61304 258.8953       45.61304 258.8953       45.61304 68.50047 6.982880 68.50047 6.982880 0.000000       0.000000 
1 1 1 -21 1  1  o 225.5990 4.584717 2503.491       101.2409 2479.872       142.5108 2527.557       143.8510 223.8676 6.510462 226.0120 6.509204 -2.144348      9.206295 
1 1 1 -21 1  2  o 133.3881 3.247194 873.0045       42.39666 831.9913       58.75674 917.5517       61.23593 129.9662 4.626091 136.5001 4.589710 -6.533844      6.516606 
1 1 1 -21 1  3  o 174.2916 3.793609 1491.928       64.71951 1507.525       92.17616 1476.763       90.89178 174.8076 5.393517 173.0182 5.373451 1.789307       7.613409 
1 1 1 -21 1  4  o 97.68417 3.334443 468.8275       31.83586 470.7000       52.76775 467.7559       39.91962 97.54620 5.549417 97.46239 4.194313 0.8380890E-01  6.956169 
1 1 1 -21 1  5  o 32.25882 4.521564 52.17187       13.88571 54.47211       19.99692 50.02994       19.29653 32.63041 6.489365 31.23831 6.521739 1.392096       9.200268 
1 1 1 -21 1  6  o 96.09575 3.034052 453.4519       28.50289 440.4681       39.82291 467.0898       40.81369 94.54694 4.314450 97.37112 4.292776 -2.824181      6.086247 
1 1 1 -21 1  7  o 70.70570 3.027009 245.7000       20.90105 258.2617       29.08076 232.2776       30.06069 72.36752 4.122457 68.56583 4.503980 3.801682       6.105775 
1 1 1 -21 1  8  o 23.38360 5.828440 28.05888       13.29265 30.39871       18.46618 25.54262       19.14974 24.54277 7.211575 23.01316 7.449510 1.529606       10.36832 
1 1 1 -21 1  9  o 91.79878 2.926302 413.8153       26.26076 433.0393       37.79859 395.8783       36.51148 93.75590 4.128927 89.62836 4.173224 4.127541       5.870591 
1 1 1 -21 1  10 o 70.65957 3.014029 245.4262       20.79821 236.3112       29.14277 254.8875       29.69111 69.17033 4.325982 71.86011 4.240009 -2.689781      6.057375 
1 1 1 -21 1  11 o 34.86485 4.275225 60.69388       14.28492 55.03886       19.71560 66.94344       20.72612 32.79514 6.371440 36.31861 6.042403 -3.523476      8.780995 
1 1 1 -21 1  12 o 55.17834 3.271606 150.0256       17.59065 143.7542       24.57023 156.6203       25.19542 53.80924 4.712458 56.19753 4.621137 -2.388287      6.600164 
1 1 1 -21 1  13 o 74.61565 3.018425 273.7396       21.99982 267.6427       30.85844 280.0414       31.37283 73.60338 4.301970 75.29897 4.274108 -1.695595      6.064235 
1 1 1 -21 1  14 o 93.00254 3.008986 425.1047       27.35579 440.6361       39.07291 410.1721       38.31215 94.49533 4.235106 91.15076 4.306255 3.344566       6.039864 
1 1 1 -21 1  15 o 131.0272 3.283454 844.1711       42.07812 831.3690       59.20076 857.2420       59.81895 129.7199 4.670075 131.7316 4.646470 -2.011780      6.587813 
1 1 1 -21 1  16 o 55.64811 3.301610 152.7513       17.90301 142.6969       24.92801 163.4617       25.72830 53.53868 4.807935 57.36483 4.621116 -3.826153      6.668654 
1 1 1 -21 1  17 o 75.99145 2.989079 284.1496       22.19015 291.5627       31.48842 276.8363       31.27589 76.77776 4.206020 74.79182 4.290178 1.985947       6.008014 
1 1 1 -21 1  18 o 51.09982 3.409532 129.0594       16.95620 124.8055       23.80184 133.4430       24.16158 49.97811 4.929583 51.71487 4.828964 -1.736759      6.900701 
1 1 1 -21 1  19 o 62.56931 3.117068 193.0277       19.03024 203.0406       27.07054 183.2448       26.75782 63.95640 4.350100 60.70578 4.535920 3.250618       6.284739 
1 1 1 -21 1  20 o 29.92395 5.188554 45.70828       14.64690 54.97121       20.52068 36.08818       20.91257 32.54899 6.665412 26.41713 7.649682 6.131863       10.14620 
1 1 1 -21 1  21 o 44.42673 3.820835 98.15693       16.45408 86.19646       22.69830 111.4022       23.88630 41.17015 5.792497 47.03163 5.279686 -5.861477      7.837609 
1 1 1 -21 1  22 o 25.71750 5.894277 34.39118       14.51951 42.00344       19.87236 25.67399       21.26576 28.27893 7.170321 23.14513 7.862538 5.133802       10.64110 
1 1 1 -21 1  23 o 53.88687 4.455367 145.0734       23.29044 168.3000       45.73392 136.9404       27.06261 56.66319 8.508333 52.09863 5.384349 4.564560       10.06891 
1 1 1 -21 1  24 o 44.11801 4.198453 97.41186       17.91227 82.26764       25.35270 112.5062       25.31090 39.80061 6.748551 47.06147 5.604584 -7.260864      8.772360 
1 1 1 -21 1  25 o 60.62864 3.785252 182.8142       22.35150 184.3000       34.35231 181.7234       29.43413 60.20015 5.905695 60.07624 5.052207 0.1239166      7.771874 
1 1 1 -21 1  26 o 28.18036 7.139791 42.21562       19.71427 44.98676       22.17342 31.76000       43.07028 29.01270 7.686342 27.99162 10.90881 1.021082       13.34474 
1 1 1 -21 1  27 o 44.46182 4.171438 99.22599       17.94226 105.2009       25.09395 92.97658       25.66404 45.28902 5.793167 42.32533 6.393830 2.963692       8.627969 
1 1 1 -21 1  28 o 77.91278 3.275746 300.9773       24.92615 345.7538       36.19675 260.5934       34.37551 83.06612 4.468284 71.90235 4.913806 11.16377       6.641615 
1 1 1 -21 1  29 o 46.28793 5.329847 109.4635       23.70811 127.9358       27.72662 59.23000       45.72282 49.90831 5.782561 33.02230 11.51653 16.88601       12.88675 
1 1 1 -21 1  30 o 15.69968 6.934728 -4.243469      20.91122 9.136936       23.96220 -46.98000      42.82445 19.31517 7.925165 18.12998 8.652043 1.185196       11.73312 
1 1 1 -21 1  31 o 24.21403 8.236464 29.84396       23.33747 -25.42000      46.54629 48.40150       26.97269 20.90669 9.666857 29.67096 8.715001 -8.764263      13.01535 
1 1 1 -21 1  32 o 19.76994 7.959092 12.15901       23.63383 84.21000       48.70147 -10.03543      27.02988 37.57740 11.85011 16.94977 7.655445 20.62763       14.10783 
1 1 1 -21 1  33 o 51.52633 4.936353 135.5312       24.59259 104.8000       39.38687 155.1673       31.48389 42.86485 9.623743 54.65619 5.982571 -11.79134      11.33171 
1 1 1 -21 1  34 o 14.42084 6.591712 -10.94468      20.79673 -19.25000      33.19129 -5.576614      26.68424 17.63130 8.156147 17.34346 7.737178 0.2878323      11.24218 
1 1 1 -21 1  35 f 31.89983 7.674304 56.83493       23.66959 50.77169       30.11139 66.64000       38.29160 29.70386 9.311079 33.32676 10.50732 -3.622900      14.03923 
1 1 1 -21 1  36 o 38.46542 6.640683 80.23158       24.09937 69.39266       30.42291 98.49000       39.48566 34.44831 8.944479 40.40676 10.03029 -5.958454      13.43914 
1 1 1 -21 1  37 o 48.59707 4.886829 122.3962       22.93050 111.9895       32.68847 132.4785       32.17488 44.67767 7.755946 49.32701 6.848334 -4.649349      10.34671 
1 1 1 -21 1  38 o 39.25594 5.982955 82.73193       22.26368 61.78648       31.82656 102.8032       31.15536 31.90406 9.491595 42.66729 7.745037 -10.76322      12.25055 
1 1 1 -21 1  39 o 14.99446 6.776035 -6.594279      21.21058 -2.880525      30.93922 -9.887444      29.13463 18.53191 8.294770 17.10848 7.813288 1.423422       11.39520 
1 1 1 -21 1  40 o 35.40955 6.904811 70.04564       23.07198 59.88006       33.26225 79.47200       32.03005 31.00710 9.795236 36.24596 9.054890 -5.238861      13.33933 
1 1 1 -21 1  41 o 22.87554 8.099753 28.68563       22.67664 42.07161       32.40970 15.84715       31.74000 26.67170 9.654953 21.42080 8.982795 5.250893       13.18745 
1 1 1 -21 1  42 o 23.03949 8.254155 29.38855       23.61541 18.11827       33.46531 40.56760       33.32958 21.98244 9.221362 26.21665 9.740876 -4.234217      13.41336 
1 1 1 -21 1  43 o 17.38138 7.539834 4.008206       23.74908 17.00516       34.25642 -8.019238      32.95398 21.80749 9.248134 18.09106 8.280026 3.716429       12.41317 
1 1 1 -21 1  44 o 19.06883 7.913659 12.79702       24.25993 35.34447       35.38629 -7.198852      33.32395 24.92449 9.835662 18.16747 8.319270 6.757021       12.88218 
1 1 1 -21 1  45 o 20.63328 8.186023 20.42884       24.63326 22.08718       35.10851 18.82088       34.57108 22.40740 9.425130 21.81685 9.272819 0.5905514      13.22188 
1 1 1 -21 1  46 o 20.98397 8.223336 22.38836       24.58648 27.51983       34.98901 17.38308       34.55609 23.16790 9.548697 21.48137 9.204329 1.686535       13.26263 
1 1 1 -21 1  47 o 15.40855 7.291543 -21.00440      29.16480 -25.08712      34.98885 -11.71000      52.79169 16.58274 7.887444 21.17991 9.957296 -4.597179      12.70274 
1 1 1 -21 1  48 o 17.47432 7.673997 3.867527       25.26352 -0.7801327     35.66964 8.545734       35.78667 19.16768 8.711620 20.35129 9.026524 -1.183615      12.54474 
1 1 1 -21 1  49 o 43.37754 9.498062 122.2741       39.20790 0.000000       0.000000 122.2741       39.20790 ?        ?        43.37754 9.498062 ?              ?        
1 1 1 -21 1  50 o 28.10580 9.499586 52.65596       31.04045 90.47000       52.47443 32.30229       38.49838 33.25396 12.24646 24.04184 9.972526 9.212120       15.79326 
1 1 1 -21 1  51 o 39.31039 8.734926 98.09934       32.73776 85.18082       39.53134 126.3000       58.40699 34.21857 10.65991 38.01079 13.02770 -3.792217      16.83314 
1 1 1 -21 1  52 o 28.43169 9.535627 55.28696       31.27847 48.72938       38.40295 68.21000       53.91071 26.54858 10.31365 29.11617 11.91016 -2.567589      15.75510 
1 1 1 -21 1  53 o 31.76679 8.720613 66.41459       27.93675 59.90895       39.55727 72.88826       39.45997 28.27341 10.59070 30.92539 10.70371 -2.651987      15.05764 
1 1 1 -21 1  54 o 27.43294 9.666009 54.26540       32.26330 51.77695       39.20083 59.49000       56.80121 26.35561 10.36700 26.90014 11.66477 -0.5445309     15.60582 
1 1 1 -21 2  1  o 99.09806 2.967793 482.0874       28.75513 479.6113       41.39633 484.3960       39.97280 98.67922 4.296074 99.19546 4.125872 -0.5162354     5.956431 
1 1 1 -21 2  2  o 68.55367 3.747133 231.4766       25.04848 200.7000       34.40259 266.2000       36.54194 63.55613 5.586826 73.34040 5.122489 -9.784267      7.579744 
1 1 1 -21 2  3  o 80.04255 2.897105 314.6154       22.66076 314.1104       32.42083 315.0978       31.68612 79.83562 4.163172 79.97469 4.061011 -0.1390762     5.815824 
1 1 1 -21 2  4  o 166.4365 3.691042 1360.335       60.13175 1325.088       84.13696 1397.137       85.97098 163.9001 5.251245 168.3079 5.224774 -4.407791      7.407688 
1 1 1 -21 2  5  o 91.13066 2.998298 407.8108       26.70877 410.7522       38.19115 404.9951       37.36618 91.30079 4.285441 90.66635 4.222023 0.6344376      6.015852 
1 1 1 -21 2  6  o 125.8324 3.187493 777.4456       39.22817 813.9249       56.29000 743.0003       54.69826 128.5516 4.480352 122.8021 4.558435 5.749413       6.391626 
1 1 1 -21 2  7  o 136.7088 3.321630 917.3217       44.44815 955.3754       63.67275 881.1526       62.07601 139.2413 4.678392 133.7025 4.750823 5.538727       6.667658 
1 1 1 -21 2  8  o 34.46342 4.268353 59.29264       14.09125 64.60348       19.34933 53.29527       20.56198 35.74068 5.724016 32.21803 6.737230 3.522652       8.840510 
1 1 1 -21 2  9  o 68.15269 3.757622 228.8975       24.96999 172.5000       46.86872 251.2496       29.50616 58.22161 8.472579 71.34738 4.244195 -13.12577      9.476170 
1 1 1 -21 2  10 f 29.69498 4.984306 44.62257       13.97471 52.52284       19.36962 36.04585       20.18184 32.01925 6.404093 26.55712 7.458463 5.462132       9.830620 
1 1 1 -21 2  11 o 29.05347 5.000587 42.77874       13.70795 49.35086       19.05383 35.72754       19.73609 30.99629 6.488602 26.41818 7.359783 4.578110       9.811644 
1 1 1 -21 2  12 o 21.59071 5.922379 23.79179       12.89053 18.95028       17.72530 29.22681       18.78034 20.59713 7.171344 24.14683 7.315835 -3.549706      10.24449 
1 1 1 -21 2  13 o 79.29762 2.964334 309.0773       22.96827 312.3899       32.56350 305.7976       32.40119 79.55144 4.196778 78.70129 4.221483 0.8501434      5.952635 
1 1 1 -21 2  14 o 110.4043 3.085412 599.0410       33.31036 584.1802       46.61776 614.5438       47.61397 108.7939 4.386641 111.5939 4.367444 -2.799965      6.190087 
1 1 1 -21 2  15 o 93.54624 2.980047 430.1660       27.25218 408.2598       37.88052 453.6680       39.23601 90.91943 4.268420 95.86777 4.191378 -4.948341      5.982228 
1 1 1 -21 2  16 o 40.53511 3.926166 81.66260       15.38299 58.69885       21.19525 107.2223       22.36120 33.76786 6.649268 46.30793 5.013099 -12.54007      8.327300 
1 1 1 -21 2  17 o 97.82529 2.994028 470.6409       28.63530 446.0601       39.99134 496.5040       41.02114 94.98473 4.312612 100.2498 4.189638 -5.265022      6.012627 
1 1 1 -21 2  18 o 33.47699 4.471829 56.32546       14.28721 63.60632       19.95481 48.66739       20.46519 35.28418 5.991868 30.59086 6.988204 4.693316       9.205296 
1 1 1 -21 2  19 o 12.50095 5.464340 -2.537210      12.67679 -17.94313      17.11379 16.19281       18.86998 12.04812 5.665785 19.94900 7.344309 -7.900880      9.275775 
1 1 1 -21 2  20 o 49.35375 3.494768 120.6284       16.77362 132.6765       23.01430 106.9767       24.49813 51.55733 4.608939 46.03614 5.548347 5.521187       7.212938 
1 1 1 -21 2  21 o 44.40056 4.173524 98.35070       17.92565 87.34406       22.15769 119.2000       30.49598 41.49396 5.598168 48.28894 6.626490 -6.794987      8.674667 
1 1 1 -21 2  22 o 18.59791 7.060681 12.86676       17.71556 37.12000       36.69502 5.495992       20.22919 28.40903 10.27488 17.58930 7.256099 10.81973       12.57872 
1 1 1 -21 2  23 o 121.4017 4.356579 732.1277       51.68587 747.2000       73.14894 717.1000       73.04089 121.7574 6.157701 119.2036 6.282123 2.553848       8.796724 
1 1 1 -21 2  24 f 59.32022 3.371113 174.3180       19.49355 155.7619       26.48728 196.2452       28.79290 55.68054 4.910160 62.59894 4.734165 -6.918400      6.820703 
1 1 1 -21 2  25 o 32.04126 5.248506 52.69210       15.89141 50.94178       21.26881 54.90414       23.91005 30.99536 7.155233 32.06266 7.713004 -1.067299      10.52083 
1 1 1 -21 2  26 o 54.61911 3.895818 148.7861       20.69135 131.7000       30.34435 163.6347       28.28775 50.61866 6.257468 56.91455 5.132818 -6.295883      8.093313 
1 1 1 -21 2  27 o 33.00309 6.469792 57.23001       20.15278 61.98942       22.82962 40.43000       42.89209 34.19162 7.055511 29.40525 11.02531 4.786371       13.08960 
1 1 1 -21 2  28 f 36.08770 6.299461 68.10185       21.44288 72.75426       24.68966 53.82000       43.25821 37.05038 7.065739 31.90021 11.19636 5.150166       13.23945 
1 1 1 -21 2  29 f 38.80157 6.121017 78.39592       22.47790 61.18250       25.83026 132.1000       45.62458 33.55692 7.980966 48.65732 9.916403 -15.10040      12.72913 
1 1 1 -21 2  30 o 23.93414 7.952734 29.33146       21.76438 44.88433       25.20406 -16.27000      43.15734 28.72488 8.420983 21.03144 9.567980 7.693439       12.74595 
1 1 1 -21 2  31 o 48.43521 4.495847 118.6589       21.07139 125.8346       29.42960 111.1107       30.18358 49.17599 6.255371 45.85829 6.941148 3.317699       9.343939 
1 1 1 -21 2  32 o 22.91090 8.740717 22.56365       27.23205 0.000000       0.000000 22.56365       27.23205 ?        ?        22.91090 8.740717 ?              ?        
1 1 1 -21 2  33 o 50.33912 6.550116 133.4096       31.50993 0.000000       0.000000 133.4096       31.50993 ?        ?        50.33912 6.550116 ?              ?        
1 1 1 -21 2  34 o 24.94651 7.504876 33.88392       19.81335 12.87830       28.38552 53.84226       27.66886 20.94136 8.612624 30.80965 8.760798 -9.868298      12.28531 
1 1 1 -21 2  35 o 24.96041 7.546046 34.26641       19.99597 9.333448       28.15039 59.65871       28.40852 20.10077 8.446341 32.19624 8.775935 -12.09546      12.18022 
1 1 1 -21 2  36 o 35.66456 7.028221 70.02099       23.66227 69.84378       30.05369 70.31000       38.37989 34.59932 8.842102 33.82907 10.49791 0.7702408      13.72548 
1 1 1 -21 2  37 o 27.01036 8.147964 41.79262       23.33134 43.10952       29.41827 39.56000       38.30434 27.32149 9.247965 27.01406 10.35153 0.3074265      13.88088 
1 1 1 -21 2  38 o 20.67311 7.734989 20.52330       21.08831 46.81080       31.25679 -1.440151      28.57064 28.12737 9.532478 18.16053 8.059498 9.966833       12.48293 
1 1 1 -21 2  39 o 64.11205 4.705977 212.4723       29.32643 234.3000       50.33887 201.2578       36.08194 64.06696 8.216059 61.31007 6.093001 2.756882       10.22880 
1 1 1 -21 2  40 o 26.98503 7.987447 42.40849       22.58456 57.88040       32.82028 28.49291       31.12583 30.53424 9.740039 23.77867 9.271709 6.755571       13.44741 
1 1 1 -21 2  41 o 51.38451 5.161305 138.9935       25.60842 137.9350       37.10474 139.9563       35.38778 48.91150 8.028497 49.73610 7.502158 -0.8245964     10.98814 
1 1 1 -21 2  42 o 63.68404 4.575725 210.4107       28.33297 220.9660       40.88644 200.6594       39.29847 63.29583 6.700944 60.21317 6.785763 3.082668       9.536731 
1 1 1 -21 2  43 o 21.10415 8.205864 21.67178       24.32696 17.33033       33.86101 26.30305       34.97298 21.79319 9.216162 23.44746 9.592251 -1.654272      13.30221 
1 1 1 -21 2  44 o 31.56728 8.185202 60.41920       25.50043 54.62453       35.91905 66.30775       36.20881 28.82597 10.19519 31.44404 10.24848 -2.618073      14.45591 
1 1 1 -21 2  45 o 28.86476 8.381485 51.57772       25.07369 96.14603       36.63528 12.30447       34.39021 38.34421 9.742777 20.80358 9.048279 17.54063       13.29636 
1 1 1 -21 2  46 o 25.58023 9.271206 40.97592       29.89647 67.56155       36.83797 -10.32000      51.16980 31.21375 10.34563 21.02437 9.858474 10.18938       14.29061 
1 1 1 -21 2  47 o 35.51199 8.893683 79.81408       30.84391 97.45308       37.42437 42.46000       54.46111 38.27638 9.911416 26.64871 11.48848 11.62767       15.17304 
1 1 1 -21 2  48 o 14.82269 6.917017 -13.69982      24.69083 6.241982       35.85736 -31.68095      34.04901 20.06343 8.958555 15.72174 7.558773 4.341681       11.72138 
1 1 1 -21 2  49 o 20.52467 8.582567 17.59596       28.84991 -48.68000      49.79616 51.08183       35.39554 17.96277 8.754484 27.49454 10.06922 -9.531773      13.34279 
1 1 1 -21 2  50 o 19.28224 8.403915 9.349766       29.79599 73.02000       55.26346 -16.74441      35.37868 30.22965 12.17046 17.32519 8.147039 12.90446       14.64563 
1 1 1 -21 2  51 o 25.82026 9.288718 43.49386       29.94065 33.94361       37.99963 59.13000       48.62246 24.10589 9.944736 28.19660 11.39313 -4.090706      15.12287 
1 1 1 -21 2  52 o 35.40638 10.33589 89.64156       38.03994 101.2000       58.25610 81.05000       50.22591 33.50977 12.78431 31.34658 11.89146 2.163183       17.45982 
1 1 1 -21 2  53 o 32.86734 8.520181 70.06158       27.63496 69.49084       39.82433 70.59165       38.37918 30.13486 10.72748 30.59076 10.55761 -0.4559040     15.05131 
1 1 1 -21 2  54 o 13.29114 6.517035 -40.23769      28.85311 -29.64000      50.59001 -45.34676      35.12613 18.62539 9.018373 14.59324 7.162663 4.032150       11.51672 
1 1 1 -21 3  1  o 73.51485 2.898536 265.4632       20.81652 240.6984       29.69564 289.3900       29.18890 69.82906 4.366458 76.65247 3.903169 -6.823410      5.856679 
1 1 1 -21 3  2  o 171.2295 5.241918 1446.108       87.75327 1346.000       119.5643 1563.000       129.1987 164.5426 7.442910 177.3285 7.460099 -12.78595      10.53803 
1 1 1 -21 3  3  o 58.32914 3.116097 167.3915       17.72653 143.1982       24.91477 192.1938       25.22634 53.72803 4.787603 62.39441 4.154157 -8.666382      6.338624 
1 1 1 -21 3  4  o 181.9746 4.482983 1628.955       79.85168 1421.000       126.7924 1765.654       102.7995 168.9657 7.686477 189.1185 5.559327 -20.15285      9.486203 
1 1 1 -21 3  5  o 54.84065 3.198083 148.0753       17.09267 131.0532       23.38061 167.6168       25.05114 51.39064 4.699971 58.20982 4.429951 -6.819172      6.458653 
1 1 1 -21 3  6  o 88.78620 2.935641 387.0915       25.47752 434.1239       36.98483 344.6179       35.14670 93.89758 4.033453 83.60156 4.309552 10.29602       5.902625 
1 1 1 -21 3  7  o 119.9392 3.129869 706.3580       36.71320 731.2833       52.68920 682.8363       51.18412 121.8407 4.425323 117.7259 4.449788 4.114784       6.275675 
1 1 1 -21 3  8  o 108.4717 3.477872 578.3440       36.87860 550.5812       45.21729 633.5000       63.73374 105.6985 4.379972 113.1132 5.775506 -7.414627      7.248492 
1 1 1 -21 3  9  o 54.09157 3.318797 144.1782       17.48722 155.7282       24.11405 131.3665       25.39713 56.08171 4.428736 51.37042 5.118923 4.711285       6.768831 
1 1 1 -21 3  10 o 48.64241 3.494101 116.8061       16.52547 120.1218       23.24382 113.4170       23.49936 49.13112 4.898522 47.69014 5.113863 1.440979       7.081462 
1 1 1 -21 3  11 o 14.73918 5.818547 5.993022       12.38810 21.44591       16.91144 -11.90064      18.19807 21.24515 7.008435 13.52693 6.176651 7.718211       9.341798 
1 1 1 -21 3  12 o 38.49084 4.067846 73.69344       15.09438 84.10875       21.01995 62.60439       21.68914 40.92508 5.377267 34.97354 6.577083 5.951538       8.495470 
1 1 1 -21 3  13 o 95.25038 2.994875 445.8225       27.88763 433.9495       39.18189 458.0124       39.70137 93.77473 4.279962 96.35569 4.219649 -2.580963      6.010283 
1 1 1 -21 3  14 o 100.1077 3.009959 492.5333       29.46054 483.5157       41.50383 501.6909       41.82500 98.97114 4.294457 100.8268 4.247447 -1.855614      6.040130 
1 1 1 -21 3  15 o 20.96518 5.947979 22.37018       12.76841 13.84868       17.03777 33.28763       19.28481 18.80729 6.968874 25.51241 7.333269 -6.705112      10.11642 
1 1 1 -21 3  16 o 10.35937 4.839380 -11.70555      12.13853 -32.08207      16.83600 10.35323       17.51720 10.27089 5.023968 17.94905 6.967670 -7.678151      8.590034 
1 1 1 -21 3  17 o 47.61483 3.463935 112.1375       16.03385 115.6471       22.64112 108.6067       22.70960 48.11552 4.874540 46.57505 5.062746 1.540466       7.027983 
1 1 1 -21 3  18 f 12.37177 5.423734 -2.870712      12.57025 -1.950676      16.87730 -4.016917      18.83787 14.68903 6.364069 15.14310 6.639116 -0.4540768     9.196697 
1 1 1 -21 3  19 o 56.89967 3.227235 159.8356       17.90038 162.6429       24.76478 156.7642       25.90352 57.17621 4.460263 56.06218 4.765564 1.114037       6.527216 
1 1 1 -21 3  20 o 9.496602 4.612018 -23.00874      13.49096 -28.30828      16.51789 -12.39000      23.38147 10.47748 5.091802 15.61387 7.079327 -5.136391      8.720283 
1 1 1 -21 3  21 o 39.47435 5.435622 79.04735       20.44549 15.34000       39.71819 102.0145       23.84780 25.00652 10.22527 44.90339 5.543359 -19.89687      11.63121 
1 1 1 -21 3  22 o 22.57035 6.109752 26.42387       13.82550 27.70312       18.33322 24.73708       21.05194 23.36661 7.256265 22.82056 7.821347 0.5460491      10.66897 
1 1 1 -21 3  23 o 35.14518 4.571597 62.35969       15.35443 56.07681       20.57819 70.25110       23.06241 32.77457 6.642272 36.77821 6.651070 -4.003639      9.399815 
1 1 1 -21 3  24 o 56.24303 3.418572 156.8359       18.73112 154.1434       25.72625 159.8736       27.32566 55.41452 4.789910 56.37909 5.003519 -0.9645691     6.926647 
1 1 1 -21 3  25 o 81.98767 3.142055 332.3440       25.16888 338.8719       34.80284 325.1868       36.44207 82.41879 4.329201 80.62028 4.637555 1.798515       6.344202 
1 1 1 -21 3  26 o 37.29856 4.652709 70.47263       16.61815 68.12168       22.08967 73.53815       25.22426 36.11110 6.487915 37.32132 7.165304 -1.210224      9.666159 
1 1 1 -21 3  27 o 34.88177 6.111644 63.37485       20.10699 57.11189       22.75992 85.64000       42.91348 32.71256 7.294072 38.91069 10.85716 -6.198132      13.07981 
1 1 1 -21 3  28 o 73.85673 3.948910 272.1763       28.44407 281.1852       33.58096 249.3000       53.51201 74.81624 4.607903 68.60210 8.126726 6.214142       9.342187 
1 1 1 -21 3  29 o 51.01892 4.899400 131.9705       24.16659 120.7597       28.07922 164.0000       47.46140 48.33989 6.067683 54.78059 9.175506 -6.440697      11.00030 
1 1 1 -21 3  30 o 65.43618 4.606264 215.8439       29.31496 243.8000       58.17392 206.3286       33.93915 66.90797 9.119836 63.57581 5.508136 3.332169       10.65415 
1 1 1 -21 3  31 o 44.26382 5.275246 100.5195       22.40663 118.1000       34.57824 87.79391       29.41885 46.84779 7.815819 40.29527 7.739984 6.552525       10.99974 
1 1 1 -21 3  32 o 14.46734 6.562537 -9.355852      20.12074 -34.07000      30.35859 10.00439       26.86978 15.32881 7.306770 20.18834 8.348804 -4.859530      11.09466 
1 1 1 -21 3  33 o 10.93023 5.438224 -54.17940      22.85711 -6.648000      47.68828 -68.35552      26.04354 22.82094 10.24973 11.23066 5.621012 11.59028       11.68986 
1 1 1 -21 3  34 o 59.28880 4.923533 179.8494       28.31542 175.2000       53.70487 181.6395       33.32340 54.70515 10.40971 59.07415 5.839259 -4.368999      11.93562 
1 1 1 -21 3  35 o 46.17056 4.911757 109.8838       21.85741 123.3080       31.78669 97.84329       30.10400 47.76841 7.006437 42.13293 7.578148 5.635479       10.32078 
1 1 1 -21 3  36 f 27.76778 7.423593 43.31575       20.56606 38.05526       28.94470 48.67934       29.22696 26.18883 9.161019 28.90758 9.188019 -2.718748      12.97474 
1 1 1 -21 3  37 o 31.68360 7.951631 57.61504       24.61831 47.83836       30.84245 74.78000       40.86719 28.50402 9.466992 34.34428 10.85844 -5.840258      14.40589 
1 1 1 -21 3  38 o 32.00805 8.188938 59.64465       25.75784 43.12989       31.42894 93.43000       44.95290 27.22250 9.544341 37.73615 11.29328 -10.51366      14.78623 
1 1 1 -21 3  39 o 35.55025 6.656171 69.82756       22.31083 85.20720       32.16150 55.56047       30.97640 37.82011 8.846220 30.18281 9.441339 7.637306       12.93810 
1 1 1 -21 3  40 o 19.68090 7.778622 16.25585       22.16410 15.67703       31.92842 16.79419       30.79200 21.49950 9.012186 21.48330 8.915642 0.1620674E-01  12.67707 
1 1 1 -21 3  41 o 23.74362 8.169353 31.83412       22.97337 64.30008       33.94172 4.386210       31.20860 31.84027 9.870900 19.46635 8.539641 12.37393       13.05221 
1 1 1 -21 3  42 o 28.18698 8.287128 47.60464       24.37920 73.01749       35.45431 24.81174       33.57702 33.60155 10.02314 23.12034 9.421419 10.48121       13.75596 
1 1 1 -21 3  43 o 13.91106 6.582375 -20.43518      23.75851 -69.73022      33.67353 28.42932       33.52616 13.25026 6.593877 23.65837 9.495168 -10.40811      11.56017 
1 1 1 -21 3  44 o 15.75933 7.172472 -6.638730      24.28379 -5.421781      34.93706 -7.776221      33.77723 18.72239 8.552510 18.18354 8.344857 0.5388546      11.94915 
1 1 1 -21 3  45 o 37.39188 8.613859 86.43053       30.87745 91.72808       38.14390 76.36000       52.59129 36.86389 10.21738 31.58009 12.12221 5.283794       15.85379 
1 1 1 -21 3  46 o 33.68326 9.139688 73.11093       30.89464 77.60339       37.91899 64.24000       53.28433 33.36752 10.44715 29.47115 11.92010 3.896364       15.85029 
1 1 1 -21 3  47 o 16.25338 7.335256 -3.358055      24.76039 -8.089057      36.04642 0.8683853      34.07007 18.47240 8.529108 19.09229 8.611558 -0.6198845     12.12042 
1 1 1 -21 3  48 o 19.26563 8.266320 11.07476       27.94306 12.27000       48.02302 10.46294       34.35833 22.56326 10.19618 20.35603 8.944110 2.207233       13.56316 
1 1 1 -21 3  49 o 41.90243 6.852636 100.9237       27.13566 93.79607       39.15325 107.5119       37.64256 36.63076 10.42337 40.36874 9.656375 -3.737984      14.20888 
1 1 1 -21 3  50 o 55.10223 6.356921 170.5013       33.65864 154.4032       42.86133 196.4000       54.36475 49.14434 9.249501 53.36380 10.77946 -4.219463      14.20388 
1 1 1 -21 3  51 o 61.54062 5.906571 209.5950       35.14349 273.8000       66.03124 184.2203       41.51118 62.03739 11.28979 55.31571 7.890094 6.721684       13.77363 
1 1 1 -21 3  52 o 15.54363 7.203000 -9.893259      26.05621 -22.13004      38.37487 0.5739402      35.49186 17.32718 8.246851 18.99700 8.655740 -1.669815      11.95543 
1 1 1 -21 3  53 o 18.06445 8.106558 3.260497       29.76075 1.689184       38.20322 5.686000       47.46457 19.43709 8.903227 21.16643 9.778032 -1.729342      13.22412 
1 1 1 -21 3  54 o 16.79182 7.562407 1.019840       26.15971 -10.73366      38.13406 11.46735       35.95305 17.95277 8.447199 19.99442 8.946081 -2.041656      12.30396 
1 1 1 -21 4  1  o 148.4798 4.991272 1087.045       72.43812 1168.000       108.5270 1022.000       97.27939 153.2921 7.253464 143.4621 6.948173 9.829926       10.04439 
1 1 1 -21 4  2  o 64.41524 3.666328 204.4247       23.02126 285.6000       51.53329 184.1862       25.73154 75.59717 7.045395 61.04851 4.334290 14.54866       8.271859 
1 1 1 -21 4  3  o 140.4036 3.871647 969.2388       53.15762 1154.000       103.4241 902.9069       61.96943 152.4586 6.948755 135.3649 4.684036 17.09370       8.380059 
1 1 1 -21 4  4  o 144.4727 3.376436 1024.545       47.74749 1065.382       69.08383 987.1967       66.06741 147.0242 4.806905 141.5271 4.775996 5.497070       6.776169 
1 1 1 -21 4  5  o 29.16515 4.910499 43.01897       13.52084 72.30364       19.13061 13.79088       19.11211 37.93960 5.295534 19.47753 7.347466 18.46207       9.056928 
1 1 1 -21 4  6  o 148.4140 3.449989 1081.451       50.11858 1082.824       71.11366 1080.096       70.64542 148.1877 4.909472 148.0066 4.883054 0.1810303      6.924387 
1 1 1 -21 4  7  o 109.5102 3.051801 588.8771       32.68085 584.9640       46.17315 592.8054       46.26238 108.9616 4.337890 109.6941 4.317052 -0.7324982     6.119986 
1 1 1 -21 4  8  o 107.7899 3.074686 570.6057       32.40718 556.5873       45.84114 584.6113       45.82023 106.2606 4.416975 108.9263 4.306007 -2.665718      6.168579 
1 1 1 -21 4  9  o 56.72595 3.225908 158.4667       17.83800 132.2568       24.33487 188.9049       26.22444 51.58104 4.877784 61.80561 4.362867 -10.22458      6.544263 
1 1 1 -21 4  10 f 39.70195 3.904185 78.23555       14.97615 100.4938       20.40458 52.24295       22.04992 44.92262 4.710377 31.80437 7.245281 13.11825       8.641860 
1 1 1 -21 4  11 o 39.88789 3.884228 78.96795       14.97347 99.53419       20.92918 57.40342       21.43111 44.67258 4.864853 33.42270 6.782903 11.24989       8.347129 
1 1 1 -21 4  12 o 35.79259 4.102676 63.86060       14.11415 63.25995       19.11101 64.58131       20.93419 35.32547 5.722612 35.59688 6.235218 -0.2714157     8.463228 
1 1 1 -21 4  13 o 97.23420 3.014695 464.6427       28.65786 454.7505       40.67640 474.3923       40.38187 95.97856 4.340979 98.05690 4.217144 -2.078339      6.052140 
1 1 1 -21 4  14 o 71.48124 2.984945 251.3416       20.83905 241.8309       29.36566 260.9897       29.57721 69.91936 4.311752 72.66942 4.175724 -2.750061      6.002322 
1 1 1 -21 4  15 o 24.00207 5.566465 29.67108       12.82342 28.04443       17.49494 31.55968       18.85100 23.55702 7.044181 24.88912 7.278945 -1.332102      10.12934 
1 1 1 -21 4  16 o 123.5058 3.198917 750.3049       38.63943 718.0950       53.82293 784.5591       55.50470 120.5077 4.571245 125.9861 4.508185 -5.478363      6.420281 
1 1 1 -21 4  17 o 57.11818 3.188565 160.9181       17.75614 160.1662       24.43778 161.7590       25.84304 56.77977 4.432147 57.01644 4.671525 -0.2366714     6.439493 
1 1 1 -21 4  18 o 45.32907 3.688819 101.9056       16.22569 97.99481       22.19117 106.3983       23.78482 44.14679 5.237332 45.99144 5.385298 -1.844646      7.512063 
1 1 1 -21 4  19 o 69.81012 3.464762 240.6683       23.60145 247.1736       30.16492 230.4000       37.89822 70.56078 4.389231 67.76300 5.768519 2.797783       7.248528 
1 1 1 -21 4  20 o 60.51459 4.106768 181.8295       24.18165 118.1000       46.22795 205.8369       28.37310 46.83461 10.35902 64.30499 4.536830 -17.47038      11.30894 
1 1 1 -21 4  21 o 139.7152 3.422854 962.6016       46.80996 968.3243       66.61351 957.0189       65.79267 139.5046 4.885831 138.7019 4.853542 0.8027649      6.886815 
1 1 1 -21 4  22 o 73.32548 3.104653 265.3776       22.23260 260.5320       30.69478 270.7254       32.24582 72.35741 4.354008 73.72615 4.489617 -1.368744      6.254122 
1 1 1 -21 4  23 o 39.70869 4.128942 78.97129       15.81430 65.15711       20.90522 97.45251       24.18008 35.48922 6.245995 43.72117 5.792528 -8.231949      8.518558 
1 1 1 -21 4  24 o 85.81923 3.086388 363.7571       25.88413 349.8412       35.59927 379.3660       37.70258 83.78191 4.355908 87.22767 4.430321 -3.445763      6.213025 
1 1 1 -21 4  25 o 20.96679 6.563182 22.30087       14.96626 32.04296       19.77780 9.247776       22.89332 24.79651 7.506532 19.18068 7.793059 5.615833       10.82034 
1 1 1 -21 4  26 o 109.4675 3.800569 595.2668       40.66125 631.5774       49.50706 520.0000       71.27745 112.4253 4.507943 100.3178 7.308993 12.10744       8.587370 
1 1 1 -21 4  27 o 38.68603 5.635714 77.01643       20.71393 75.68642       23.62973 81.43000       43.04538 38.01974 6.588149 37.92707 10.97267 0.9266663E-01  12.79856 
1 1 1 -21 4  28 o 82.60260 3.930848 340.2965       31.69117 371.0476       38.49288 275.6000       55.83292 85.97364 4.590779 72.18885 8.037738 13.78479       9.256375 
1 1 1 -21 4  29 o 52.88430 4.336141 140.7259       22.24893 139.5000       32.58246 141.7970       30.45468 51.75682 6.580009 52.42727 6.045147 -0.6704521     8.935341 
1 1 1 -21 4  30 o 69.22577 4.807530 242.1314       32.37347 264.0000       40.72725 204.6000       53.35464 71.77051 5.848038 61.14004 9.200252 10.63047       10.90157 
1 1 1 -21 4  31 o 54.23121 4.473640 148.5849       23.53640 158.4000       35.23295 140.6750       31.62896 54.99063 6.682687 51.94910 6.352130 3.041534       9.219971 
1 1 1 -21 4  32 o 57.48656 4.051738 166.1445       22.65286 170.2865       31.92691 161.9455       32.14618 57.44550 5.755424 55.90226 5.966957 1.543236       8.290324 
1 1 1 -21 4  33 o 34.48558 6.165976 63.04519       20.04948 39.16005       27.39551 90.59322       29.42124 26.88329 8.922107 40.76000 7.655329 -13.87671      11.75619 
1 1 1 -21 4  34 o 40.88800 6.698463 89.61159       25.88131 74.75000       48.79797 95.42841       30.52898 34.92446 11.90952 41.62767 7.778391 -6.703217      14.22463 
1 1 1 -21 4  35 o 19.74011 7.924920 13.71010       23.36159 -17.82000      45.95705 24.69659       27.12807 20.89417 9.641295 22.96789 8.733200 -2.073723      13.00859 
1 1 1 -21 4  36 o 55.80717 5.000135 161.1854       27.02440 132.9205       34.34968 207.1000       43.77982 49.12608 7.370553 61.41842 7.433380 -12.29234      10.46806 
1 1 1 -21 4  37 o 18.50205 7.465018 11.79414       20.84050 23.35433       30.16112 1.231998       28.82977 22.89491 9.066118 18.69245 8.203707 4.202457       12.22683 
1 1 1 -21 4  38 o 70.86090 5.293704 262.4497       36.45212 241.6000       48.74589 288.9000       54.90394 65.70139 7.727369 71.61628 7.966927 -5.914886      11.09884 
1 1 1 -21 4  39 o 24.18622 8.504929 32.51842       24.96879 29.88157       30.29796 38.10000       44.08076 24.03310 9.207070 26.85757 10.84945 -2.824476      14.22957 
1 1 1 -21 4  40 o 25.03736 8.123744 36.07602       22.76518 27.28748       32.71844 44.32365       31.69558 23.70204 9.424315 27.25316 9.582420 -3.551123      13.44026 
1 1 1 -21 4  41 o 36.70679 7.060178 76.06684       24.44598 73.36048       35.79258 78.43308       33.46805 33.78484 10.06916 35.45498 9.466202 -1.670135      13.82017 
1 1 1 -21 4  42 o 20.57047 8.091124 19.44507       23.87775 35.53676       34.96306 5.379347       32.68810 25.21641 9.828245 19.82122 8.716057 5.395182       13.13636 
1 1 1 -21 4  43 o 35.61448 7.535342 73.72754       25.44762 92.31547       37.68400 58.14546       34.50278 37.68994 10.03653 29.92978 10.01473 7.760162       14.17839 
1 1 1 -21 4  44 o 20.30983 8.596716 14.13088       29.50680 31.79434       35.70452 -23.92000      52.40439 24.21938 9.771271 20.40220 9.689418 3.817181       13.76091 
1 1 1 -21 4  45 o 36.98933 8.808600 85.52769       31.43338 78.70336       38.08902 100.1000       55.65878 33.75248 10.45540 35.17888 12.66345 -1.426399      16.42189 
1 1 1 -21 4  46 o 28.75772 8.524492 51.91483       25.70858 27.48794       37.30251 74.01404       35.48071 23.39142 9.768641 32.95808 10.06985 -9.566654      14.02955 
1 1 1 -21 4  47 f 18.06807 8.014133 3.002507       28.21198 -9.159000      49.17284 8.969973       34.44503 20.74789 9.707973 20.19333 8.910782 0.5545616      13.17751 
1 1 1 -21 4  48 o 21.40966 8.359426 24.26873       25.32994 57.66864       37.39610 -4.044996      34.43120 28.79905 10.37833 18.50321 8.466745 10.29584       13.39386 
1 1 1 -21 4  49 o 32.04674 8.399225 64.46040       26.66135 75.46070       39.10959 54.90990       36.44133 32.37459 10.65690 28.21750 10.23459 4.157091       14.77553 
1 1 1 -21 4  50 o 23.78148 9.203273 33.86125       30.49013 4.611000       57.03599 45.56469       36.07788 22.72820 10.57488 26.24113 10.04848 -3.512934      14.58767 
1 1 1 -21 4  51 o 55.50456 5.494360 168.1187       29.45926 154.4957       43.01879 180.1487       40.42542 48.83816 9.339211 54.87160 7.741483 -6.033447      12.13060 
1 1 1 -21 4  52 o 25.66796 9.375528 43.79379       30.65605 79.91000       56.44502 28.68334       36.51011 30.42450 12.28183 22.95448 9.630595 7.470013       15.60743 
1 1 1 -21 4  53 o 27.99169 8.824614 52.50700       27.00964 76.44579       39.26661 31.00895       37.21104 31.59836 10.68444 23.12908 9.714411 8.469273       14.44046 
1 1 1 -21 4  54 o 54.62754 6.530101 173.3535       34.22623 120.8073       42.39492 271.7000       57.99926 40.24405 10.61246 63.07917 9.704091 -22.83511      14.38033 
1 1 1 -21 5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 5  2  o 123.0073 4.579181 745.6208       55.03846 803.5000       82.20697 698.6000       74.09570 127.2325 6.623727 118.6694 6.402642 8.563087       9.212360 
1 1 1 -21 5  3  o 196.9946 4.135950 1907.866       79.75095 1967.656       115.3066 1853.036       110.4217 199.5042 5.911192 193.6267 5.832818 5.877411       8.304454 
1 1 1 -21 5  4  o 79.48794 3.432281 310.7747       26.64192 364.7000       54.43776 293.7911       30.55061 85.59282 6.547354 77.20355 4.056983 8.389267       7.702399 
1 1 1 -21 5  5  o 91.89949 2.954763 414.7400       26.54466 403.6575       37.96834 425.3360       37.12548 90.48996 4.298913 92.92424 4.091692 -2.434280      5.934863 
1 1 1 -21 5  6  o 127.8750 3.222337 803.0946       40.30109 799.9255       57.31766 806.1931       56.67644 127.3909 4.604246 127.9034 4.534214 -0.5124130     6.462057 
1 1 1 -21 5  7  o 124.7077 3.625778 764.6080       44.21192 785.3000       74.94762 753.5645       54.75343 125.8669 6.101489 123.6452 4.531720 2.221657       7.600306 
1 1 1 -21 5  8  o 47.92387 3.488268 113.3919       16.25115 97.51234       22.49719 130.7199       23.50085 44.14563 5.313039 51.30065 4.733438 -7.155014      7.115745 
1 1 1 -21 5  9  o 71.10724 3.032875 248.5922       21.06085 264.2654       30.21872 233.7885       29.36856 73.16390 4.237752 68.77903 4.385188 4.384872       6.098230 
1 1 1 -21 5  10 o 29.20240 5.043372 43.24360       13.89499 45.35342       18.75163 40.67446       20.69237 29.66782 6.624901 28.08594 7.417916 1.581875       9.945592 
1 1 1 -21 5  11 o 27.79888 5.209529 39.36983       13.65458 78.35813       18.75067 -4.648990      19.92365 39.55441 4.951175 15.55068 6.822495 24.00372       8.429744 
1 1 1 -21 5  12 o 102.6873 3.014807 518.1387       30.26996 480.4179       42.11600 558.4454       43.53568 98.65543 4.372200 106.4161 4.187749 -7.760635      6.054204 
1 1 1 -21 5  13 o 70.96896 2.982300 247.7382       20.67078 244.1904       29.47042 251.1739       29.00102 70.26714 4.305444 71.29047 4.174264 -1.023323      5.996777 
1 1 1 -21 5  14 o 56.40255 3.196308 156.8127       17.57408 173.1795       24.86423 140.4741       24.84278 59.11436 4.327078 53.11951 4.830715 5.994846       6.485322 
1 1 1 -21 5  15 o 27.76471 5.109602 39.30768       13.37476 42.79916       18.01468 35.01935       19.96482 28.76160 6.546481 26.11751 7.446889 2.644085       9.915270 
1 1 1 -21 5  16 o 77.09389 3.020504 292.5110       22.74911 265.4161       31.55446 321.8361       32.82749 73.19194 4.425117 80.67354 4.171361 -7.481598      6.081275 
1 1 1 -21 5  17 o 174.8806 4.448908 1512.122       76.09369 1458.680       92.10812 1627.000       135.0441 171.3017 5.500390 179.6107 7.699221 -8.309021      9.462151 
1 1 1 -21 5  18 o 17.39615 6.971518 7.723823       18.04519 22.95000       40.38631 3.925765       20.17064 26.58181 10.50200 17.29075 7.199178 9.291061       12.73265 
1 1 1 -21 5  19 o 87.40641 3.325485 376.8009       28.39956 423.5000       47.09340 350.1122       35.60157 92.16024 5.242096 84.01948 4.343701 8.140762       6.807886 
1 1 1 -21 5  20 o 46.73348 3.620303 108.3807       16.43167 99.98320       22.45522 118.0604       24.10855 44.52962 5.252804 48.45856 5.162068 -3.928932      7.364706 
1 1 1 -21 5  21 o 26.81119 5.637636 37.21659       14.32503 33.02425       18.87966 42.90505       21.99193 25.22267 7.257644 28.55558 7.695391 -3.332911      10.57792 
1 1 1 -21 5  22 o 64.74234 3.233601 207.1819       20.42698 202.4035       28.25941 212.4105       29.56073 63.67898 4.564052 65.21463 4.661628 -1.535652      6.523905 
1 1 1 -21 5  23 o 54.45056 3.433667 147.0104       18.20747 125.0471       24.26815 175.2940       27.53949 49.81297 5.046797 59.13174 4.799269 -9.318779      6.964420 
1 1 1 -21 5  24 o 74.17526 3.177853 272.0944       23.01927 279.1109       32.15016 264.7138       32.97379 74.77152 4.412408 72.72957 4.656278 2.041954       6.414848 
1 1 1 -21 5  25 o 73.53069 5.267642 272.6666       37.66208 243.0000       54.18242 300.4000       52.38738 67.91757 8.324059 76.30838 7.094996 -8.390808      10.93750 
1 1 1 -21 5  26 o 85.20716 3.670062 360.6563       30.53769 321.7935       35.09576 481.8000       61.96375 80.18037 4.489712 96.99726 6.565055 -16.81689      7.953456 
1 1 1 -21 5  27 o 60.36534 4.126938 182.3111       24.23827 167.7292       27.86848 227.6000       49.11361 57.59776 4.992376 65.77889 7.778277 -8.181133      9.242587 
1 1 1 -21 5  28 o 41.86033 4.525424 88.65112       18.24805 97.70018       24.49718 77.37062       27.35135 43.49628 5.906297 37.97779 7.622909 5.518486       9.643291 
1 1 1 -21 5  29 o 46.35051 4.650184 108.8069       20.81281 102.5000       30.27430 114.4589       28.65955 43.93145 7.296150 46.86996 6.415121 -2.938511      9.715326 
1 1 1 -21 5  30 o 21.04253 7.437584 21.02731       19.11356 9.299000       26.62444 33.49973       27.45604 20.07990 8.307902 25.68955 8.926435 -5.609644      12.19436 
1 1 1 -21 5  31 o 59.25113 4.682487 177.7989       26.93624 180.9407       31.96322 170.1000       50.03551 59.37111 5.564942 55.14368 9.619587 4.227428       11.11328 
1 1 1 -21 5  32 o 48.14352 4.501441 117.5551       20.96675 127.4385       28.85358 106.4977       30.51942 49.45555 6.088832 44.60295 7.238383 4.852596       9.458755 
1 1 1 -21 5  33 o 34.66029 5.960505 63.45952       19.49295 59.74852       26.20358 68.05785       29.16857 32.68790 8.203639 34.72750 8.621090 -2.039593      11.90054 
1 1 1 -21 5  34 o 55.54856 4.156117 156.2131       22.43402 126.4091       30.75806 190.0903       32.79257 48.70311 6.623508 60.52014 5.599123 -11.81703      8.673006 
1 1 1 -21 5  35 o 42.10196 6.541983 95.28418       26.08498 48.72000       51.14485 111.6550       30.32568 29.96390 11.82452 45.31654 7.067204 -15.35263      13.77551 
1 1 1 -21 5  36 o 32.89136 8.137334 62.21731       26.05275 159.5000       57.94098 37.56456       29.16760 49.36958 12.08845 25.99036 9.187674 23.37922       15.18368 
1 1 1 -21 5  37 o 75.10988 4.500793 289.0896       32.93788 278.4130       40.97058 308.6000       55.38470 72.63406 5.811131 74.51944 7.703966 -1.885384      9.649888 
1 1 1 -21 5  38 o 18.63572 7.502000 12.58586       20.99576 22.37150       28.73376 1.375758       30.75406 22.31371 8.844845 19.09884 8.424160 3.214867       12.21465 
1 1 1 -21 5  39 o 67.15945 4.824525 234.0046       31.50391 210.9872       38.32064 282.0000       55.33568 62.48380 6.353829 70.21844 8.205482 -7.734638      10.37791 
1 1 1 -21 5  40 o 17.02534 7.585575 -2.312086      25.56397 -6.464005      32.10748 4.878000       42.25215 18.26866 8.288088 21.86490 9.746308 -3.596241      12.79386 
1 1 1 -21 5  41 o 82.49968 4.581975 352.4002       36.85546 344.7720       46.04574 366.0000       61.48181 80.16885 5.909364 79.85008 7.972668 0.3187637      9.923912 
1 1 1 -21 5  42 o 19.96740 8.016175 16.84972       23.90273 22.58715       35.24152 11.96170       32.52839 22.88742 9.521561 20.73694 8.908549 2.150473       13.03926 
1 1 1 -21 5  43 f 16.64335 7.419822 -1.535644      24.49690 29.04943       35.34451 -29.81022      33.98328 23.89472 9.692383 16.10295 7.690928 7.791773       12.37306 
1 1 1 -21 5  44 o 24.94608 9.252512 37.41103       30.04683 45.36599       36.28673 20.06000       53.59093 26.73637 10.11553 24.35886 10.90880 2.377502       14.87703 
1 1 1 -21 5  45 o 18.15043 7.797469 7.895805       24.92094 -39.33764      35.99910 51.36191       34.53363 15.68968 7.599432 27.85890 9.981417 -12.16922      12.54512 
1 1 1 -21 5  46 o 22.85472 8.829587 29.20355       28.02916 -9.470000      47.73215 49.55779       34.62831 20.55328 9.599828 27.39943 9.971078 -6.846142      13.84121 
1 1 1 -21 5  47 o 19.02553 7.972230 13.02323       24.97091 16.65511       37.16358 10.03393       33.71601 21.65920 9.413385 20.18401 8.864594 1.475193       12.93031 
1 1 1 -21 5  48 o 41.55414 6.932105 99.59125       27.20318 87.28067       40.12342 110.0640       37.00744 34.88469 10.71788 41.19260 9.388042 -6.307907      14.24810 
1 1 1 -21 5  49 o 14.52116 6.839846 -17.11828      25.12155 -22.00166      37.39223 -13.10066      33.91607 17.30535 8.208814 17.35417 8.101159 -0.4882431E-01 11.53314 
1 1 1 -21 5  50 o 40.57730 6.993343 95.78024       26.77366 97.60098       38.73499 94.11457       37.04862 37.40956 10.26816 37.04867 9.989869 0.3608932      14.32594 
1 1 1 -21 5  51 o 36.85338 7.776922 82.48395       27.17071 98.57321       39.76116 68.38898       37.21542 37.24188 10.47225 30.80984 10.40167 6.432037       14.76018 
1 1 1 -21 5  52 o 54.22208 6.496665 167.9677       33.79480 144.7948       43.41462 203.6000       53.83534 46.19446 9.899246 54.01184 10.56151 -7.817383      14.47552 
1 1 1 -21 5  53 o 29.78595 9.495417 62.38317       31.19629 75.61000       57.86069 56.96239       37.04134 29.13549 12.16677 27.72662 10.27513 1.408873       15.92509 
1 1 1 -21 5  54 o 42.65744 7.089763 108.9977       28.56410 126.1905       41.85677 94.01207       39.07773 41.70400 10.31231 35.19027 10.52901 6.513729       14.73783 
1 1 1 -21 6  1  f 95.92025 2.867299 451.7072       26.89068 425.9230       38.66328 475.8665       37.42525 92.96183 4.260337 98.32616 3.896280 -5.364334      5.773341 
1 1 1 -21 6  2  o 93.49902 3.205860 429.5533       29.29645 356.3000       48.44543 471.7867       36.78472 84.72580 5.878032 97.90987 3.845743 -13.18407      7.024315 
1 1 1 -21 6  3  o 91.59208 2.903270 411.9393       25.99577 402.9395       37.73095 420.0718       35.86697 90.40927 4.275736 92.35969 3.976718 -1.950417      5.839195 
1 1 1 -21 6  4  o 46.96574 3.457011 108.8937       15.78098 95.39233       22.70592 121.5095       21.94869 43.64199 5.432590 49.47438 4.584476 -5.832394      7.108478 
1 1 1 -21 6  5  o 85.98921 2.927141 363.1739       24.60143 370.9616       35.82618 356.2250       33.84190 86.74035 4.232394 85.01849 4.078529 1.721863       5.877717 
1 1 1 -21 6  6  o 112.5269 3.090417 621.8821       34.00699 603.4702       48.55561 639.6089       47.64363 110.6313 4.493242 113.9395 4.279538 -3.308189      6.205132 
1 1 1 -21 6  7  o 62.76257 3.153781 193.8367       19.31277 187.2015       27.48771 200.3053       27.14038 61.48616 4.600606 63.64613 4.383267 -2.159973      6.354416 
1 1 1 -21 6  8  o 30.21794 4.848462 46.11540       13.85600 43.66673       19.17265 48.79258       20.04728 29.09128 6.847581 30.76790 6.834329 -1.676615      9.674576 
1 1 1 -21 6  9  o 119.7503 3.141843 704.4923       36.79528 706.9560       52.47185 702.1087       51.61157 119.7252 4.485420 119.3254 4.426508 0.3997803      6.301823 
1 1 1 -21 6  10 o 62.12080 3.082438 189.9148       18.68439 179.1356       26.03447 201.3636       26.83098 60.14277 4.454020 63.80477 4.321628 -3.661999      6.206027 
1 1 1 -21 6  11 o 27.03013 5.132045 37.25184       13.08183 31.22268       18.31229 43.53540       18.69463 24.76623 7.154335 29.03340 6.712459 -4.267170      9.810281 
1 1 1 -21 6  12 o 40.45884 3.706910 81.17933       14.51721 103.4940       20.63326 59.30397       20.42914 45.56725 4.693071 34.02964 6.367179 11.53761       7.909860 
1 1 1 -21 6  13 o 21.45935 5.824496 23.58441       12.54479 18.85879       16.82730 29.49665       18.82180 20.32605 6.991765 24.19852 7.322301 -3.872469      10.12427 
1 1 1 -21 6  14 o 85.21076 2.971325 357.0688       24.74490 336.1818       34.77015 378.5039       35.22339 82.45460 4.323201 87.54344 4.122139 -5.088844      5.973449 
1 1 1 -21 6  15 o 118.0611 3.156671 685.6131       36.44623 654.4688       51.10929 717.8368       51.98742 115.0343 4.548026 120.5187 4.414404 -5.484337      6.338100 
1 1 1 -21 6  16 o 15.68730 6.142329 7.424417       13.70728 13.39488       16.74507 -4.702000      23.86432 18.54808 6.901953 17.06838 7.478171 1.479698       10.17644 
1 1 1 -21 6  17 o 59.18042 4.085781 173.6605       23.52261 96.86000       46.47607 200.1087       27.27381 42.40810 11.07719 63.48083 4.416866 -21.07272      11.92530 
1 1 1 -21 6  18 o 81.49123 3.008136 327.0713       23.95348 338.0914       34.16324 316.4149       33.59458 82.60076 4.239593 79.88477 4.312329 2.715988       6.047341 
1 1 1 -21 6  19 o 54.39657 3.336668 146.3118       17.68056 161.3338       24.54941 130.1231       25.48501 56.91499 4.441799 50.90698 5.186852 6.008007       6.828837 
1 1 1 -21 6  20 o 30.97755 4.841607 48.75640       14.20036 61.33372       18.50489 30.74102       22.14697 34.62642 5.654737 24.79794 8.009978 9.828482       9.804886 
1 1 1 -21 6  21 o 10.38941 4.845216 -11.14093      12.08477 -7.474607      15.04090 -17.81826      20.29832 12.65963 5.714880 13.50575 6.292188 -0.8461180     8.500087 
1 1 1 -21 6  22 o 59.73805 3.326033 176.6234       19.37162 180.8591       26.63584 171.8673       28.22432 60.16221 4.556992 58.52362 4.974124 1.638588       6.745968 
1 1 1 -21 6  23 o 31.71067 5.004779 51.35701       15.01980 61.26586       19.90918 38.26785       22.88219 34.38379 6.140882 27.01155 8.051034 7.372244       10.12569 
1 1 1 -21 6  24 o 20.45065 6.964583 20.04969       16.68708 19.57324       18.73349 21.88000       36.71767 20.71242 7.359167 25.13513 9.987082 -4.422712      12.40561 
1 1 1 -21 6  25 o 18.60300 6.927667 14.13342       16.87625 22.02358       18.92778 -16.46000      37.27097 21.46889 7.414038 19.61819 8.911917 1.850695       11.59268 
1 1 1 -21 6  26 o 88.75946 5.056240 396.6529       43.74701 402.9000       64.39941 391.3000       59.61271 87.97747 7.551296 87.02013 7.059195 0.9573364      10.33704 
1 1 1 -21 6  27 o 49.40945 3.892218 122.1345       18.67216 89.09563       24.59226 167.1078       28.69217 41.39900 6.264420 57.40668 5.161201 -16.00768      8.116709 
1 1 1 -21 6  28 o 108.4836 4.727071 591.5980       50.07474 0.000000       0.000000 591.5980       50.07474 ?        ?        108.4836 4.727071 ?              ?        
1 1 1 -21 6  29 o 49.25730 4.490001 122.5232       21.41055 148.0000       31.29995 100.1189       29.35200 53.52732 6.081647 43.45922 7.148324 10.06810       9.385360 
1 1 1 -21 6  30 f 14.34979 6.301883 -2.828438      17.03721 -11.84902      22.30928 9.794058       26.39008 15.00236 6.845958 20.08649 8.287127 -5.084126      10.74912 
1 1 1 -21 6  31 o 41.98330 5.417269 90.94848       21.74357 105.8000       32.34798 78.70747       29.36772 44.24018 7.752486 37.83477 8.169465 6.405418       11.26238 
1 1 1 -21 6  32 o 35.65052 9.683580 72.98997       34.65969 112.0000       55.38578 47.88000       44.43583 42.47190 12.49194 30.16370 11.23962 12.30820       16.80410 
1 1 1 -21 6  33 o 10.40610 5.095151 -31.90045      17.44543 -29.61660      23.25125 -34.84222      26.38863 13.09894 6.284333 13.77560 6.631088 -0.6766605     9.135873 
1 1 1 -21 6  34 o 46.50669 6.000420 113.9551       26.67921 48.72000       51.50732 137.8746       31.18919 30.23458 11.88623 50.98288 6.389877 -20.74830      13.49493 
1 1 1 -21 6  35 o 34.24094 6.227878 63.14008       20.10465 69.73690       27.93290 56.04949       28.95942 34.91635 8.296272 30.97404 9.011500 3.942305       12.24889 
1 1 1 -21 6  36 o 59.73352 5.198275 185.6524       30.09131 157.9000       60.29484 194.8574       34.72493 48.40958 12.60324 60.68262 5.921411 -12.27304      13.92497 
1 1 1 -21 6  37 o 31.89503 8.560464 59.83738       27.28164 31.44000       54.21931 69.46450       31.56916 27.17223 11.58300 33.96554 9.248386 -6.793310      14.82223 
1 1 1 -21 6  38 o 43.72950 5.390568 101.0825       22.58576 98.78786       31.18461 103.6142       32.75543 41.51675 7.963415 42.36379 8.195554 -0.8470421     11.42730 
1 1 1 -21 6  39 o 15.58047 6.902353 -2.038192      20.86467 -13.76321      28.66790 11.16782       30.42460 16.43058 7.593406 20.44273 8.694246 -4.012146      11.54339 
1 1 1 -21 6  40 o 33.84058 8.148229 67.42678       26.66539 64.22210       32.93019 73.53000       45.44452 31.99102 9.686399 32.93227 11.48166 -0.9412460     15.02181 
1 1 1 -21 6  41 o 27.75327 8.755573 46.68306       26.58432 33.91114       33.05820 70.06000       44.72442 24.80917 9.587862 32.00037 11.37071 -7.191193      14.87347 
1 1 1 -21 6  42 o 19.73591 7.963152 16.08333       23.71565 25.54393       34.11338 7.234120       32.99268 23.19698 9.479805 20.08319 8.796115 3.113789       12.93207 
1 1 1 -21 6  43 o 31.50578 9.044017 62.48110       29.35059 60.84710       35.69853 65.89000       51.56205 30.29806 10.18736 30.43563 11.91421 -0.1375732     15.67580 
1 1 1 -21 6  44 o 12.56943 6.104979 -32.43001      23.65567 -18.99082      34.51104 -44.34037      32.48881 17.08645 8.038436 14.40371 7.031176 2.682737       10.67960 
1 1 1 -21 6  45 o 26.94394 9.047217 46.22921       28.15570 62.23000       48.85670 38.27270       34.45201 29.30133 11.55887 25.09868 9.763575 4.202644       15.13059 
1 1 1 -21 6  46 o 21.39041 8.346492 23.80543       25.23834 55.61782       37.27422 -3.126843      34.29626 28.57148 10.35260 18.67334 8.508435 9.898136       13.40036 
1 1 1 -21 6  47 o 16.57145 7.433346 -1.334343      24.99323 33.96406       37.17464 -30.45067      33.76273 24.30411 9.909731 15.73331 7.554624 8.570798       12.46094 
1 1 1 -21 6  48 o 25.39633 8.672197 40.51324       25.87606 32.04059       38.28539 47.63839       35.10912 24.00361 9.949738 26.75679 9.986623 -2.753185      14.09716 
1 1 1 -21 6  49 o 19.43261 8.047132 15.40485       25.00938 16.07640       36.60662 14.81704       34.24827 21.39822 9.320733 20.87136 9.054050 0.5268574      12.99430 
1 1 1 -21 6  50 o 45.10819 6.323377 114.9464       27.15393 108.0274       39.46328 121.1678       37.42097 39.60191 10.13834 43.40544 9.099115 -3.803532      13.62277 
1 1 1 -21 6  51 o 24.38375 8.675638 37.27054       26.04370 16.24879       38.36510 55.23727       35.46797 21.51286 9.451864 28.09833 10.10962 -6.585472      13.83988 
1 1 1 -21 6  52 o 25.21130 8.755880 41.33795       26.41527 58.56039       38.64066 26.22828       36.19301 28.20014 10.48631 22.46777 9.516074 5.732367       14.16045 
1 1 1 -21 6  53 o 19.03915 8.362140 10.42159       30.00512 -30.18000      55.10661 27.53139       35.77294 19.36382 9.384573 22.37114 9.467253 -3.007313      13.33038 
1 1 1 -21 6  54 o 22.82220 9.750682 30.70112       38.57719 61.99000       54.69534 -0.2718000     54.41848 27.08020 11.59110 21.07617 9.969535 6.004023       15.28872 
1 1 1 -21 7  1  o 70.17358 2.864328 241.9708       19.63310 217.1697       29.42693 261.8669       26.35687 66.26115 4.565013 72.91135 3.705260 -6.650200      5.879481 
1 1 1 -21 7  2  o 164.4509 3.641266 1328.630       58.61314 1291.018       83.04032 1365.972       82.74345 161.6911 5.253801 166.3692 5.087038 -4.678131      7.313028 
1 1 1 -21 7  3  o 122.3608 4.518960 738.0803       54.03067 800.8000       83.60596 693.1000       70.80208 126.9068 6.754814 118.2052 6.140369 8.701561       9.128616 
1 1 1 -21 7  4  o 156.0611 3.542050 1196.354       54.10728 1206.973       78.02415 1186.516       75.09821 156.3629 5.104718 155.0696 4.953981 1.293274       7.113373 
1 1 1 -21 7  5  o 96.10619 2.988687 453.6782       28.08082 419.4011       40.10535 486.6436       39.33054 92.19339 4.457436 99.39281 4.051164 -7.199425      6.023343 
1 1 1 -21 7  6  o 42.45529 3.745054 89.26941       15.40371 84.59687       22.69130 93.26289       20.97774 40.96951 5.822104 43.19813 5.056797 -2.228615      7.711555 
1 1 1 -21 7  7  o 75.86626 2.965476 282.8917       21.97920 280.0186       32.19762 285.3988       30.07718 75.28941 4.388035 76.06276 4.054438 -0.7733536     5.974389 
1 1 1 -21 7  8  o 40.98755 3.887599 83.35036       15.41049 93.62366       22.52490 74.31056       21.12942 43.20074 5.447673 38.34045 5.812213 4.860283       7.966113 
1 1 1 -21 7  9  o 105.1842 3.031045 543.5778       31.17424 542.9595       44.67379 544.1647       43.52279 104.9077 4.360005 105.0467 4.241528 -0.1389847     6.082779 
1 1 1 -21 7  10 o 24.52331 5.357623 30.86485       12.49997 18.66516       17.59580 43.29412       17.76059 20.45959 7.143702 28.98025 6.429314 -8.520664      9.610856 
1 1 1 -21 7  11 o 8.987067 4.320060 -16.48447      11.11036 -7.691460      15.14290 -26.73703      16.35145 12.74217 5.744810 10.59817 5.130535 2.144003       7.702288 
1 1 1 -21 7  12 o 45.43631 3.540648 102.1338       15.62256 109.3571       22.14238 94.97381       22.04522 46.80346 4.906085 43.50875 5.284682 3.294716       7.210931 
1 1 1 -21 7  13 o 36.44053 4.164514 66.28180       14.58798 63.55004       20.42708 69.12516       20.84017 35.27825 6.138336 36.86402 5.980276 -1.585766      8.569881 
1 1 1 -21 7  14 o 38.87811 3.950825 75.22374       14.82625 62.59602       19.93788 90.84432       22.17508 35.01458 6.035195 42.47682 5.459529 -7.462238      8.138185 
1 1 1 -21 7  15 o 87.61258 4.477407 380.1257       38.26984 304.3000       57.94205 438.8000       50.96941 77.42709 7.749327 93.85584 5.573165 -16.42876      9.545273 
1 1 1 -21 7  16 o 124.9909 3.809870 770.8385       46.55728 736.6000       84.48738 785.7695       55.79275 120.9428 7.168996 125.9862 4.531653 -5.043358      8.481178 
1 1 1 -21 7  17 o 83.59940 2.987867 344.1215       24.41022 311.9278       33.85489 378.9808       35.22861 79.30869 4.378069 87.50287 4.124689 -8.194183      6.015027 
1 1 1 -21 7  18 f 68.73609 3.102255 232.9883       20.81842 253.1863       29.29448 212.3792       29.59115 71.43881 4.207973 65.30421 4.659913 6.134605       6.278680 
1 1 1 -21 7  19 o 42.95214 3.866090 91.84797       16.08035 106.8492       21.91254 74.34207       23.67124 46.12592 4.929690 37.95408 6.611876 8.171841       8.247348 
1 1 1 -21 7  20 o 86.00280 3.088698 364.7902       25.95903 386.1996       37.12558 344.3098       36.31120 88.17657 4.314539 83.19855 4.475276 4.978020       6.216377 
1 1 1 -21 7  21 o 48.04375 3.720769 114.7537       17.36122 111.4234       23.11613 119.0629       26.29479 47.01510 5.104941 48.46505 5.648635 -1.449951      7.613639 
1 1 1 -21 7  22 f 79.97462 3.108154 315.8647       24.28473 307.5909       33.62885 324.8814       35.10638 78.56791 4.390271 80.72958 4.460033 -2.161667      6.258305 
1 1 1 -21 7  23 o 38.24656 4.926548 74.19570       18.01550 60.68410       20.14351 128.2000       40.27132 34.15934 6.254910 49.01307 8.713475 -14.85373      10.72607 
1 1 1 -21 7  24 o 84.20811 5.087171 356.5159       41.73556 369.1000       63.04705 346.7000       55.68259 84.25735 7.730610 82.07661 6.997638 2.180740       10.42733 
1 1 1 -21 7  25 o 36.56984 4.823822 67.99957       16.84647 76.48161       21.98635 55.93905       26.21719 38.44082 6.042391 32.15536 8.279984 6.285461       10.25030 
1 1 1 -21 7  26 o 119.2799 3.967532 708.3764       46.25824 692.8000       85.20623 714.8859       55.08250 115.3948 7.585668 119.4060 4.722136 -4.011169      8.935375 
1 1 1 -21 7  27 f 64.89005 5.159341 213.3370       32.50055 0.000000       0.000000 213.3370       32.50055 ?        ?        64.89005 5.159341 ?              ?        
1 1 1 -21 7  28 o 59.64749 3.972238 178.0688       23.05960 165.0000       33.82422 189.4176       31.51997 56.50919 6.217707 60.99813 5.332712 -4.488945      8.191319 
1 1 1 -21 7  29 o 52.30692 4.021883 137.2872       20.43383 147.7989       27.94293 125.2049       29.95778 53.77691 5.380656 49.02702 6.394903 4.749886       8.357406 
1 1 1 -21 7  30 o 23.17613 7.145642 28.29955       17.81549 22.18071       23.62570 36.36523       27.12504 22.16516 8.207570 26.32271 8.880288 -4.157545      12.09230 
1 1 1 -21 7  31 o 53.95278 5.031662 148.5666       26.26606 171.9507       31.16452 91.22000       48.80381 57.81349 5.576237 38.91609 11.79401 18.89740       13.04580 
1 1 1 -21 7  32 o 12.87216 5.986318 -14.32762      18.24427 -16.42000      25.42305 -12.10592      26.19694 15.46433 7.148236 16.30466 7.431878 -0.8403339     10.31165 
1 1 1 -21 7  33 f 43.39421 5.774827 98.57957       23.92049 103.6085       28.19728 85.67000       45.17788 43.99775 6.763632 37.37254 11.35183 6.625214       13.21404 
1 1 1 -21 7  34 o 31.91506 6.491067 55.21735       19.58641 46.39673       26.71045 65.47696       28.80695 28.52733 8.741128 33.73296 8.675733 -5.205626      12.31567 
1 1 1 -21 7  35 o 21.20121 7.452182 22.96617       19.16864 28.91987       26.41831 16.34688       27.85589 23.71846 8.697013 21.18646 8.600618 2.531998       12.23146 
1 1 1 -21 7  36 o 17.81994 7.271739 9.810291       20.03659 4.986464       28.06446 14.82544       28.61560 19.07794 8.235971 20.94194 8.633717 -1.864000      11.93199 
1 1 1 -21 7  37 o 20.16068 8.280837 13.90001       26.19675 16.81000       52.96496 12.95758       30.14178 25.21337 11.09071 20.83675 8.746813 4.376619       14.12482 
1 1 1 -21 7  38 o 18.96838 8.053411 8.180476       26.02819 5.688000       54.62864 8.912466       29.60448 24.11761 10.88894 19.95069 8.533264 4.166924       13.83422 
1 1 1 -21 7  39 o 27.91993 7.718085 45.21669       21.79709 32.64975       31.19551 57.20498       30.46883 24.62751 9.364859 30.52696 9.332449 -5.899448      13.22101 
1 1 1 -21 7  40 o 32.29653 7.407960 59.93873       22.91943 52.49408       32.28864 67.49915       32.53874 29.07229 9.687257 32.83083 9.552319 -3.758545      13.60477 
1 1 1 -21 7  41 o 30.61445 8.601778 56.94571       26.83719 84.19578       33.05063 4.202000       45.98130 36.89720 9.186814 22.20047 10.00972 14.69673       13.58647 
1 1 1 -21 7  42 o 23.99220 9.522935 30.43258       33.35059 30.43258       33.35059 0.000000       0.000000 23.99220 9.522935 ?        ?        ?              ?        
1 1 1 -21 7  43 o 37.92936 6.921092 81.90799       24.74895 47.92118       35.62070 113.6260       34.41124 27.38848 10.08931 43.47739 8.389882 -16.08891      13.12190 
1 1 1 -21 7  44 o 33.72036 8.314684 69.83781       27.26811 40.70000       46.42403 85.18549       33.69270 26.15759 10.90881 36.30227 9.406356 -10.14467      14.40422 
1 1 1 -21 7  45 o 40.17314 6.757091 92.11879       25.62847 129.1142       37.94933 61.09838       34.74991 45.55868 8.828805 29.93541 10.05098 15.62327       13.37797 
1 1 1 -21 7  46 o 31.12501 8.169476 59.66341       25.19892 55.59666       37.12992 63.13594       34.31017 28.55162 10.33433 30.50443 9.978360 -1.952805      14.36545 
1 1 1 -21 7  47 o 48.82518 6.722200 135.6559       31.27462 158.4761       40.76283 103.0000       48.76242 50.84833 8.489029 36.40688 11.89488 14.44145       14.61341 
1 1 1 -21 7  48 o 21.85650 8.366164 26.54629       25.00224 20.09518       36.59472 32.19380       34.23969 21.98918 9.447779 23.72913 9.570415 -1.739954      13.44817 
1 1 1 -21 7  49 o 17.72670 7.687243 6.639993       24.67112 -22.58325      35.81461 33.02956       34.03393 16.87349 8.012594 23.83460 9.566489 -6.961111      12.47876 
1 1 1 -21 7  50 o 30.77510 8.327541 59.97637       25.69020 54.01543       37.15492 65.43666       35.56038 27.72976 10.28816 30.36959 10.16715 -2.639824      14.46434 
1 1 1 -21 7  51 o 22.76865 8.526728 30.91254       25.63827 48.37270       37.99773 16.32027       34.73722 26.53702 10.27285 20.98956 9.111801 5.547462       13.73158 
1 1 1 -21 7  52 f 18.40961 7.911953 10.66920       25.67733 32.22490       37.96561 -7.503555      34.85938 23.46836 9.831744 17.86421 8.296612 5.604156       12.86456 
1 1 1 -21 7  53 o 31.73168 9.605539 71.73357       32.38545 51.16536       39.44121 114.3000       56.73950 26.27906 10.37964 34.63194 12.73776 -8.352877      16.43130 
1 1 1 -21 7  54 o 29.43647 10.34247 67.71172       36.91821 49.85000       55.83112 81.59000       49.21329 25.46009 11.28443 30.07110 11.67725 -4.611015      16.23874 
1 1 1 -21 8  1  o 209.3944 4.985099 2162.158       102.1751 1908.000       165.2854 2319.351       129.9869 195.0383 8.679553 216.3665 6.143888 -21.32820      10.63400 
1 1 1 -21 8  2  o 227.0914 6.545228 2559.034       145.3377 0.000000       0.000000 2559.034       145.3377 ?        ?        227.0914 6.545228 ?              ?        
1 1 1 -21 8  3  o 110.3304 3.048987 597.9115       32.89580 544.1801       47.26675 648.3838       45.81079 105.0044 4.610008 114.7345 4.085653 -9.730057      6.159930 
1 1 1 -21 8  4  o 46.49467 3.374196 106.7269       15.25156 116.5707       23.90523 99.96949       19.80631 48.34180 5.130237 44.82083 4.578841 3.520969       6.876418 
1 1 1 -21 8  5  o 60.75291 3.621413 182.0248       21.43760 178.6257       28.04808 186.8000       33.24472 60.00468 4.815827 61.22718 5.609448 -1.222504      7.393112 
1 1 1 -21 8  6  o 189.2863 4.034249 1762.773       74.74603 1784.054       107.8674 1743.116       103.6711 189.8051 5.812838 187.6736 5.649933 2.131546       8.106222 
1 1 1 -21 8  7  o 21.99336 5.991349 24.73160       13.24525 18.01160       19.23192 30.79513       18.26842 20.67188 7.443511 24.62274 7.155530 -3.950861      10.32509 
1 1 1 -21 8  8  o 86.18305 2.911567 364.9844       24.52624 320.4400       35.29030 406.6002       34.11045 80.51409 4.495784 90.83701 3.845048 -10.32292      5.915782 
1 1 1 -21 8  9  o 46.29534 3.404842 105.8912       15.32116 103.9380       22.80018 107.4992       20.68824 45.57635 5.204000 46.46756 4.609173 -0.8912163     6.951698 
1 1 1 -21 8  10 o 116.7280 3.090079 669.6968       35.27515 714.4290       52.51653 632.9236       47.61591 120.2905 4.468007 113.2479 4.303350 7.042641       6.203379 
1 1 1 -21 8  11 o 74.49779 2.945409 272.9665       21.43574 257.6448       31.15036 286.7477       29.54289 72.14540 4.432511 76.20667 3.974268 -4.061264      5.953315 
1 1 1 -21 8  12 o 47.89558 3.415800 113.3734       15.90868 111.7788       22.69640 114.9136       22.30524 47.29756 4.976934 47.99450 4.812861 -0.6969452     6.923403 
1 1 1 -21 8  13 o 17.12596 6.412356 11.06417       14.49828 5.497943       17.57757 22.91000       25.64256 16.70235 6.812720 23.43745 8.572498 -6.735100      10.94993 
1 1 1 -21 8  14 o 68.58247 3.723024 232.3455       24.89910 212.6000       51.01447 238.5203       28.52787 64.41679 8.282155 69.40025 4.219482 -4.983459      9.295059 
1 1 1 -21 8  15 o 52.05871 4.267989 134.7089       21.55741 86.01000       46.45782 148.0717       24.33599 40.05923 11.33911 54.53037 4.602289 -14.47115      12.23750 
1 1 1 -21 8  16 f 82.23068 3.022375 332.9870       24.28560 334.8728       34.61827 331.1596       34.07816 82.20152 4.317623 81.75365 4.273397 0.4478683      6.074849 
1 1 1 -21 8  17 o 86.78200 3.023932 370.9588       25.64742 381.6951       36.71720 360.7290       35.84055 87.74908 4.287831 85.29452 4.306803 2.454567       6.077339 
1 1 1 -21 8  18 o 54.68486 3.356615 147.9105       17.88040 163.8104       24.65588 130.2725       25.96855 57.34548 4.426779 50.89788 5.289502 6.447601       6.897478 
1 1 1 -21 8  19 o 80.74361 3.082126 321.5388       24.31457 332.1032       34.55083 311.1736       34.22350 81.75868 4.332831 79.10418 4.437757 2.654503       6.202187 
1 1 1 -21 8  20 o 27.47947 5.382861 38.94879       13.96047 36.97629       18.04022 41.89338       22.04173 26.55366 6.884244 28.20473 7.747403 -1.651066      10.36412 
1 1 1 -21 8  21 o 33.49760 4.951738 57.06922       15.74730 52.18634       20.64830 63.85741       24.34577 31.52031 6.885592 34.80637 7.375444 -3.286060      10.09002 
1 1 1 -21 8  22 o 41.51606 4.807829 87.03985       19.17688 89.09864       21.94559 80.39000       39.44093 41.81875 5.494056 38.20332 10.31001 3.615429       11.68251 
1 1 1 -21 8  23 o 53.63414 4.170355 143.8105       21.72183 157.6019       25.43063 106.6000       41.77194 56.01281 4.681117 44.00501 9.934055 12.00780       10.98173 
1 1 1 -21 8  24 o 42.91659 4.106622 92.37617       17.04089 65.73584       21.81818 134.0488       27.28815 35.43901 6.530254 51.32935 5.517822 -15.89034      8.549303 
1 1 1 -21 8  25 o 130.0674 3.418540 838.2950       43.48491 853.4053       61.87426 823.5477       61.12645 130.4229 4.855220 128.0994 4.883958 2.323410       6.886669 
1 1 1 -21 8  26 f 26.09093 6.505930 36.14011       16.55752 39.28000       21.92197 31.96997       25.26373 27.08753 7.828627 25.17113 8.569512 1.916395       11.60706 
1 1 1 -21 8  27 o 50.74028 4.237405 129.3982       20.85352 132.4000       29.71829 126.4863       29.26948 50.63034 6.120709 49.44686 6.182133 1.183483       8.699532 
1 1 1 -21 8  28 o 50.97206 4.100536 130.4893       20.28625 121.7300       27.50977 140.9301       30.03436 48.56009 5.909147 52.26329 5.978498 -3.703197      8.405977 
1 1 1 -21 8  29 o 31.98356 6.036376 53.83686       18.20509 54.83719       24.19972 52.53263       27.63213 31.68721 7.844479 30.82635 8.751460 0.8608685      11.75261 
1 1 1 -21 8  30 o 72.76648 6.046830 273.4250       42.68024 278.4000       65.73843 269.8000       56.11535 70.62438 9.770983 70.73366 8.260257 -0.1092758     12.79468 
1 1 1 -21 8  31 o 42.37866 4.924750 91.98441       20.04851 79.02773       27.42294 106.8607       29.38431 38.10371 7.619034 44.82050 6.920413 -6.716785      10.29280 
1 1 1 -21 8  32 o 55.53035 4.128551 155.7108       22.28004 182.3988       31.50011 128.9935       31.51736 59.45741 5.473925 49.28422 6.707235 10.17319       8.657416 
1 1 1 -21 8  33 o 17.60612 7.173299 8.773688       19.46110 22.83000       27.62251 -5.080175      27.42287 22.72877 8.769464 17.58531 7.844401 5.143461       11.76597 
1 1 1 -21 8  34 o 23.59467 8.049288 29.69979       22.29132 35.87381       26.33084 14.08000       41.88112 25.58372 8.747778 23.66891 10.13715 1.914814       13.38975 
1 1 1 -21 8  35 f 25.83684 7.475940 37.56365       19.98042 63.99331       27.55314 8.251471       29.01679 33.17258 8.460307 19.90134 8.478264 13.27124       11.97739 
1 1 1 -21 8  36 f 17.85698 7.228640 10.54657       19.61404 -19.62408      26.28719 48.43995       29.46005 15.09883 7.075486 28.61852 9.237776 -13.51968      11.63611 
1 1 1 -21 8  37 o 25.55431 7.813950 37.31930       21.35872 27.70468       29.84780 47.40943       30.57699 23.58158 9.111229 28.18532 9.427733 -4.603735      13.11094 
1 1 1 -21 8  38 o 22.21171 8.642609 23.54483       27.00031 -58.05000      57.68754 46.43354       30.55353 19.74958 9.578665 27.82709 9.424679 -8.077501      13.43783 
1 1 1 -21 8  39 o 20.61509 8.382419 16.67555       26.51133 -3.431000      57.22675 22.16996       29.91513 23.46735 10.80341 22.29581 8.961999 1.171543       14.03677 
1 1 1 -21 8  40 o 14.44177 6.631586 -9.971825      21.37455 -4.730396      30.20405 -15.23003      30.25236 17.89963 8.087707 16.63041 7.725432 1.269224       11.18451 
1 1 1 -21 8  41 o 27.50664 8.895657 46.23251       27.31028 42.57579       32.50498 55.01000       50.36045 26.52282 9.659270 29.12765 11.65541 -2.604837      15.13770 
1 1 1 -21 8  42 o 15.19240 7.065586 -14.14782      25.41888 -10.18071      32.41779 -20.48000      40.95652 17.66913 8.133062 18.64313 8.766474 -0.9739990     11.95817 
1 1 1 -21 8  43 f 22.24341 8.965713 24.38456       30.02944 74.55000       43.45222 -21.48000      41.54783 32.25394 11.22830 18.52474 8.747149 13.72920       14.23332 
1 1 1 -21 8  44 o 11.83454 5.803975 -37.78008      22.91987 -34.74974      34.31094 -40.22193      30.79979 15.61516 7.527834 14.20709 6.915334 1.408069       10.22204 
1 1 1 -21 8  45 o 13.59991 6.450737 -19.74248      23.08391 -34.60678      34.25079 -7.371227      31.24677 15.56194 7.506930 17.43953 8.011806 -1.877594      10.97921 
1 1 1 -21 8  46 o 27.36498 9.033492 48.13108       28.09473 42.72705       37.10703 55.39000       43.00644 25.92646 10.11933 28.18810 10.92433 -2.261641      14.89100 
1 1 1 -21 8  47 o 26.40715 8.526399 43.89209       25.09632 41.18370       37.43036 46.10396       33.82587 25.55975 10.10655 26.50988 9.819985 -0.9501266     14.09165 
1 1 1 -21 8  48 o 15.65255 7.122406 -5.304698      23.93049 -48.97369      35.26928 31.95073       32.57653 14.71113 7.211649 23.56122 9.392179 -8.850094      11.84149 
1 1 1 -21 8  49 o 27.89821 8.417206 49.34285       24.89724 60.96852       36.28859 39.00346       34.22224 29.42508 10.25997 24.93629 9.722279 4.488791       14.13470 
1 1 1 -21 8  50 o 23.30821 8.451198 33.11220       24.84520 40.22040       36.57484 27.02175       33.85536 25.06355 9.964715 22.59044 9.359500 2.473110       13.67098 
1 1 1 -21 8  51 o 20.74033 8.247836 22.59568       25.06290 48.06009       37.82630 2.668143       33.46215 26.34356 10.23539 18.84922 8.515135 7.494347       13.31430 
1 1 1 -21 8  52 o 15.93634 7.514463 -15.96096      30.46801 -16.63909      37.20414 -14.58000      53.09151 17.40919 8.237425 20.22359 9.646276 -2.814396      12.68487 
1 1 1 -21 8  53 o 46.52181 6.301962 124.8058       27.95987 155.4080       41.58669 99.56216       37.77066 48.29178 9.132277 36.88761 10.14536 11.40417       13.65016 
1 1 1 -21 9  1  o 103.5919 3.307313 527.6159       33.49272 449.5000       57.12599 568.5324       41.34407 95.05141 6.173405 107.4367 3.938128 -12.38531      7.322553 
1 1 1 -21 9  2  f 48.91470 3.321711 118.0588       15.80969 62.36846       24.94931 155.4246       20.43649 34.72638 7.555273 56.10176 3.742958 -21.37538      8.431600 
1 1 1 -21 9  3  o 46.78727 4.445380 108.7855       20.11407 90.60000       29.11029 125.4000       27.82444 42.07527 7.334788 50.02019 5.789743 -7.944920      9.344530 
1 1 1 -21 9  4  o 120.7323 3.123172 716.1884       36.87744 689.0547       53.54347 740.6750       50.86473 118.1415 4.639196 122.5783 4.245738 -4.436752      6.288754 
1 1 1 -21 9  5  o 102.0619 2.955779 511.7485       29.49743 505.8384       43.94657 516.5944       39.79330 101.2277 4.446110 102.3872 3.978187 -1.159554      5.966060 
1 1 1 -21 9  6  o 96.64725 2.921534 458.9263       27.60627 454.7776       40.88055 462.4040       37.42962 95.98034 4.362800 96.85713 3.956331 -0.8767929     5.889532 
1 1 1 -21 9  7  o 92.95929 2.917344 424.6346       26.51238 408.1614       39.08223 438.6782       36.08519 90.90056 4.405566 94.33450 3.916498 -3.433937      5.894740 
1 1 1 -21 9  8  o 50.97147 3.223725 128.1510       16.00150 103.2800       24.02399 147.9831       21.45275 45.35736 5.525031 54.67588 4.036962 -9.318520      6.842735 
1 1 1 -21 9  9  o 63.64941 3.016567 199.4138       18.74028 168.5988       27.95873 224.5529       25.25286 58.21318 4.953714 67.43636 3.841585 -9.223183      6.268737 
1 1 1 -21 9  10 o 69.03060 3.002248 234.5003       20.23740 203.0133       29.87989 261.1851       27.50714 63.93299 4.809990 72.73137 3.877843 -8.798382      6.178484 
1 1 1 -21 9  11 f 32.14220 4.581617 52.00354       14.00696 24.27213       20.32401 77.09116       19.33095 22.72502 7.686773 39.14254 5.171856 -16.41752      9.264695 
1 1 1 -21 9  12 o 133.0507 4.536009 875.2483       58.98774 955.8000       86.89413 806.4000       80.33405 138.3463 6.434397 127.0318 6.482152 11.31454       9.133442 
1 1 1 -21 9  13 o 22.12115 6.886120 24.39671       16.49955 26.45000       40.47405 23.98747       18.06912 27.30101 10.59306 22.21282 7.239702 5.088196       12.83068 
1 1 1 -21 9  14 o 48.59324 3.455719 116.8324       16.32967 129.2549       23.86637 105.8979       22.39141 50.86928 4.851893 45.95578 5.061492 4.913506       7.011388 
1 1 1 -21 9  15 o 36.46605 4.214213 66.54469       14.76574 79.66504       20.89212 53.44999       20.87170 39.66075 5.531971 32.06652 6.857296 7.594234       8.810517 
1 1 1 -21 9  16 o 28.34138 5.523993 41.31017       14.77340 49.73000       21.22071 33.39149       20.57951 30.83448 7.167497 25.51766 7.642200 5.316820       10.47742 
1 1 1 -21 9  17 o 89.04572 3.064461 390.7433       26.67016 373.2836       37.85521 407.9509       37.58088 86.69318 4.476181 90.70496 4.244591 -4.011787      6.168691 
1 1 1 -21 9  18 o 38.71230 4.117143 74.96579       15.36193 59.86610       20.37581 94.85233       23.38354 34.01688 6.353046 43.22797 5.662359 -9.211094      8.510201 
1 1 1 -21 9  19 o 49.83776 4.950272 124.7973       23.82983 30.83000       51.47997 150.4227       26.88344 29.65059 11.81103 54.72454 5.076635 -25.07395      12.85584 
1 1 1 -21 9  20 o 61.76392 3.360432 188.8168       20.23938 196.3773       28.04877 180.6041       29.23359 62.68938 4.603119 59.98597 5.024952 2.703407       6.814606 
1 1 1 -21 9  21 o 38.87125 5.048380 76.64998       18.75489 78.89578       21.62348 69.83000       37.68176 39.23143 5.806072 35.74886 10.24293 3.482578       11.77404 
1 1 1 -21 9  22 o 57.67469 4.038182 165.9116       22.65294 170.3835       26.39257 153.4000       44.14610 58.26970 4.666325 53.67113 8.700871 4.598564       9.873182 
1 1 1 -21 9  23 o 36.82637 4.976996 69.04610       17.48160 45.78000       23.54781 97.61369       26.09309 29.22768 7.999437 43.45354 6.319810 -14.22586      10.19465 
1 1 1 -21 9  24 o 79.91046 3.233216 316.2596       25.23753 318.1523       35.39520 314.3023       35.99489 79.68906 4.556733 79.15961 4.666181 0.5294495      6.522045 
1 1 1 -21 9  25 o 81.78266 4.706326 335.9643       37.51556 0.000000       0.000000 335.9643       37.51556 ?        ?        81.78266 4.706326 ?              ?        
1 1 1 -21 9  26 o 75.90385 3.651394 286.7933       27.04911 362.7000       43.13369 237.5955       34.72558 84.65738 5.230845 68.46166 5.221371 16.19572       7.390836 
1 1 1 -21 9  27 o 83.08987 3.613690 343.6965       29.32011 371.2000       45.66295 324.4023       38.24583 85.42976 5.489760 80.15398 4.898142 5.275787       7.357259 
1 1 1 -21 9  28 o 74.41045 3.428346 275.4327       24.90326 223.0302       33.13663 343.4407       37.74958 66.26048 5.149537 82.54411 4.691500 -16.28362      6.966197 
1 1 1 -21 9  29 o 65.83994 3.647905 216.4616       23.41738 214.4887       31.90662 218.7652       34.47687 64.94883 5.058707 65.41071 5.433861 -0.4618835     7.424107 
1 1 1 -21 9  30 o 42.37914 4.840506 91.79142       19.71963 93.18523       26.54688 90.07554       29.45479 41.93308 6.692552 40.75105 7.665601 1.182034       10.17603 
1 1 1 -21 9  31 o 16.92148 6.883911 7.610046       17.89018 27.46818       23.88594 -17.76433      27.00043 23.45197 8.312052 15.86090 7.343861 7.591071       11.09155 
1 1 1 -21 9  32 o 11.21737 5.401258 -24.47349      17.53872 -13.70871      23.20980 -38.80275      26.77816 14.94780 6.880911 13.54780 6.560158 1.399993       9.506977 
1 1 1 -21 9  33 o 43.20710 5.116285 96.77961       21.21855 100.9813       29.25541 92.11619       30.82089 43.04042 7.198217 40.56791 8.045919 2.472515       10.79589 
1 1 1 -21 9  34 o 39.44330 5.639661 82.18831       21.15467 103.7801       29.20308 58.34728       30.68645 43.54430 7.095697 31.40788 9.314095 12.13641       11.70903 
1 1 1 -21 9  35 o 34.06639 7.408022 65.28156       23.99677 78.91702       28.82011 34.46000       43.32992 37.06261 8.165083 26.56548 10.74760 10.49713       13.49739 
1 1 1 -21 9  36 o 14.15597 6.437880 -8.053701      19.51812 -13.07405      26.37734 -1.978444      29.01660 15.89691 7.324185 18.20089 8.097176 -2.303981      10.91824 
1 1 1 -21 9  37 o 26.64317 7.652573 40.80710       21.00823 47.39451       28.90519 33.43117       30.58628 28.15539 9.155334 24.83658 9.310750 3.318810       13.05795 
1 1 1 -21 9  38 o 20.08178 7.680962 18.81439       21.06385 9.398979       29.64740 28.41156       29.93221 19.96256 8.538921 23.58643 9.121145 -3.623871      12.49434 
1 1 1 -21 9  39 o 65.13374 5.184480 222.8537       32.78092 168.5000       65.43072 241.0686       37.87748 47.48075 13.46250 67.17419 5.817966 -19.69343      14.66586 
1 1 1 -21 9  40 o 20.10858 8.877803 4.943819       34.23102 -23.71000      55.92558 22.11000       43.28686 21.37628 10.11004 23.96157 10.28500 -2.585297      14.42200 
1 1 1 -21 9  41 o 14.39459 6.629663 -10.38092      21.58483 -41.70488      31.38551 17.73062       29.73262 14.40249 7.003713 21.14811 8.767353 -6.745617      11.22134 
1 1 1 -21 9  42 o 23.93195 8.562836 33.28232       25.40607 28.26000       40.73951 36.47855       32.49997 24.23116 10.17012 24.99870 9.545974 -0.7675495     13.94837 
1 1 1 -21 9  43 o 22.09295 8.910727 24.27034       29.68288 67.02000       41.95571 -18.57000      42.00019 30.70975 11.00199 18.79650 8.850663 11.91325       14.12012 
1 1 1 -21 9  44 o 32.28207 8.540274 65.26035       27.39882 74.23014       35.41631 51.89000       43.23980 33.01331 10.05560 27.67726 10.88764 5.336054       14.82079 
1 1 1 -21 9  45 o 18.87373 8.109833 9.700466       26.96781 8.268339       35.51774 11.65000       41.44001 20.31270 9.001860 21.68650 9.660417 -1.373802      13.20444 
1 1 1 -21 9  46 o 16.38112 7.331481 -1.004474      24.16500 -16.09582      36.27031 11.04131       32.40446 17.62419 8.275496 20.06020 8.753156 -2.436010      12.04581 
1 1 1 -21 9  47 o 20.24573 8.079428 19.94662       24.13285 54.88591       36.08801 -8.317110      32.45791 28.20076 10.19090 17.52581 8.092541 10.67495       13.01321 
1 1 1 -21 9  48 o 20.31836 8.114412 20.23608       24.36033 48.86651       35.80951 -4.426652      33.23571 26.91418 10.07756 18.12790 8.303806 8.786285       13.05797 
1 1 1 -21 9  49 o 23.71594 8.427233 34.53252       24.56642 32.43275       35.38228 36.48693       34.13559 23.69288 9.665101 24.36167 9.645601 -0.6687908     13.65474 
1 1 1 -21 9  50 o 32.82547 8.057358 67.05635       25.69354 57.46280       37.85515 75.25099       34.98647 28.33072 10.40697 32.76570 9.997210 -4.434982      14.43085 
1 1 1 -21 9  51 o 24.75266 9.330464 40.02098       30.80767 41.68188       37.90790 36.79000       52.87188 25.09587 10.08812 24.94013 11.02113 0.1557369      14.94107 
1 1 1 -21 9  52 o 42.41917 6.980998 106.5585       27.97840 154.2681       41.82220 67.90965       37.64197 48.33227 9.175729 29.90158 10.44798 18.43069       13.90519 
1 1 1 -21 9  53 o 39.35040 8.225485 99.13465       30.66067 160.7000       56.46352 73.38965       36.51290 42.84742 12.61570 30.98350 10.30086 11.86392       16.28691 
1 1 1 -21 10 1  o 67.83018 4.012393 227.2507       26.52089 198.0000       38.76027 253.0000       36.36649 62.83837 6.390477 71.36193 5.242890 -8.523560      8.265960 
1 1 1 -21 10 2  o 88.83562 4.189229 389.5138       36.32473 511.0000       64.62330 333.4000       43.91980 101.2002 6.559144 81.91191 5.509864 19.28832       8.566269 
1 1 1 -21 10 3  o 119.5158 4.530419 705.2634       52.90334 738.1000       82.78796 682.6000       68.77812 121.5457 6.988046 117.1847 6.016295 4.360977       9.221095 
1 1 1 -21 10 4  o 95.32392 2.929558 446.5319       27.30200 398.1005       39.89774 489.1823       37.44096 89.73535 4.557250 99.63298 3.846398 -9.897629      5.963498 
1 1 1 -21 10 5  o 134.8767 3.283507 893.9181       43.34919 830.3876       61.39855 957.0629       61.21189 129.6005 4.848546 139.2436 4.497014 -9.643066      6.612982 
1 1 1 -21 10 6  o 51.02385 3.247732 128.4404       16.13613 96.61549       25.29660 150.2729       20.95227 43.72460 6.074402 55.11503 3.909150 -11.39043      7.223559 
1 1 1 -21 10 7  o 71.06980 2.913615 248.4352       20.22561 228.7671       30.37095 264.1091       27.11230 67.93661 4.594203 73.15643 3.799253 -5.219826      5.961628 
1 1 1 -21 10 8  o 88.33382 2.985211 383.6920       25.77412 341.4490       38.11046 419.2993       34.98943 83.02524 4.708818 92.19860 3.885806 -9.173363      6.105118 
1 1 1 -21 10 9  f 61.22997 3.090306 184.6811       18.46143 176.1733       28.36448 190.9341       24.31714 59.50180 4.913874 62.12361 4.020577 -2.621803      6.349110 
1 1 1 -21 10 10 o 62.21701 3.646933 191.1864       22.11233 178.7850       28.19563 211.0000       35.63924 59.94575 4.846555 64.97405 5.660234 -5.028305      7.451668 
1 1 1 -21 10 11 o 23.45109 6.735893 28.12360       16.27646 17.80000       41.92025 29.95621       17.66215 26.14949 10.57420 24.21124 7.035749 1.938251       12.70100 
1 1 1 -21 10 12 o 82.18743 2.945581 332.3952       23.65809 314.5232       35.03074 347.3823       32.07897 79.65070 4.511623 83.84881 3.919410 -4.198112      5.976330 
1 1 1 -21 10 13 o 59.93048 3.154871 177.1558       18.44179 170.9331       27.50164 182.2402       24.85934 58.55621 4.841439 60.60445 4.216929 -2.048237      6.420438 
1 1 1 -21 10 14 o 25.04276 5.741010 32.45568       13.77147 29.84746       19.52522 35.03765       19.42676 24.28989 7.479183 26.01088 7.322052 -1.720991      10.46664 
1 1 1 -21 10 15 o 57.19580 3.276891 161.6185       18.26884 175.1814       26.77551 149.8050       24.98899 59.28245 4.651522 54.78128 4.705816 4.501171       6.616748 
1 1 1 -21 10 16 o 97.36963 3.047461 467.1051       29.00901 460.7783       41.97197 472.8915       40.13923 96.34236 4.462903 97.67922 4.208047 -1.336861      6.133935 
1 1 1 -21 10 17 o 44.77508 3.808538 99.74602       16.53345 115.9427       23.48797 83.83884       23.27713 48.01464 5.074325 40.49117 6.059004 7.523472       7.903183 
1 1 1 -21 10 18 o 72.69315 3.169592 260.9274       22.49873 255.2523       32.27522 266.2918       31.37968 71.53793 4.634148 73.14028 4.403539 -1.602348      6.392689 
1 1 1 -21 10 19 o 139.8746 4.101305 970.3080       56.09161 848.0000       98.25134 1029.446       68.31940 128.5146 7.847936 143.6953 4.864317 -15.18065      9.233184 
1 1 1 -21 10 20 o 9.824244 4.783648 -25.90364      14.77368 -21.84200      16.44725 -42.87000      33.61529 11.15281 5.333170 15.89239 7.606294 -4.739580      9.289694 
1 1 1 -21 10 21 o 79.76131 5.278191 320.1837       40.97641 251.9000       62.38388 372.0000       54.34340 68.57678 9.552643 85.38055 6.552598 -16.80376      11.58402 
1 1 1 -21 10 22 o 73.84115 3.239253 269.9602       23.35562 275.8593       32.58945 263.7312       33.48856 74.25002 4.505291 72.50706 4.744631 1.742966       6.542872 
1 1 1 -21 10 23 o 80.59059 3.217456 321.5770       25.32966 300.3826       34.93594 345.0654       36.77813 77.40552 4.632182 83.01771 4.543299 -5.612190      6.488349 
1 1 1 -21 10 24 o 86.29800 3.487625 369.6329       29.39958 351.1000       45.12595 383.3005       38.75259 83.20815 5.572696 87.46150 4.542221 -4.253349      7.189347 
1 1 1 -21 10 25 o 87.96588 4.151994 386.6870       35.64920 411.2000       48.35506 357.5000       52.76416 90.01804 5.514361 83.32317 6.521363 6.694870       8.540278 
1 1 1 -21 10 26 o 44.36678 4.304607 99.25741       18.45916 77.98666       24.44788 127.4636       28.15281 38.44161 6.743075 49.73875 5.897184 -11.29714      8.958005 
1 1 1 -21 10 27 o 48.03651 4.126460 116.0456       19.21457 107.3808       25.48809 127.4526       29.24459 45.58486 5.846743 49.58231 6.158075 -3.997444      8.491543 
1 1 1 -21 10 28 o 60.20246 3.734897 181.1772       21.90055 141.8150       29.29032 231.0847       32.98128 52.44189 5.803082 67.46878 5.030315 -15.02689      7.679833 
1 1 1 -21 10 29 o 59.92815 3.841523 179.9727       22.41545 157.9988       30.44554 205.9831       33.12403 55.35827 5.700068 63.43779 5.385287 -8.079521      7.841689 
1 1 1 -21 10 30 o 38.35057 5.251086 76.01298       19.19473 89.67265       25.57840 58.40471       29.04100 41.13852 6.573257 32.20113 8.911495 8.937393       11.07350 
1 1 1 -21 10 31 o 24.17923 7.078956 31.64120       17.82102 33.94002       22.94002 28.14223       28.30162 25.10170 8.155654 24.16045 8.976268 0.9412460      12.12799 
1 1 1 -21 10 32 o 18.28821 7.078875 13.11880       18.04139 6.077472       23.17827 23.94288       28.73750 18.15630 7.648769 23.15616 8.941952 -4.999861      11.76700 
1 1 1 -21 10 33 o 46.43815 4.792683 111.0941       21.47252 123.9883       29.39049 96.33221       31.44720 48.19983 6.386542 41.41481 8.047499 6.785011       10.27376 
1 1 1 -21 10 34 o 39.17938 5.487620 81.04238       20.46864 100.2786       27.78764 58.22367       30.26479 42.84028 6.857865 31.26831 9.244080 11.57198       11.51014 
1 1 1 -21 10 35 o 20.34431 7.502252 20.07163       19.70402 44.62294       27.07783 -7.560516      28.72657 27.66212 8.849492 17.37582 7.865681 10.28630       11.83987 
1 1 1 -21 10 36 o 17.56155 7.256818 8.701134       20.27895 36.12452       27.73458 -22.80277      29.72647 25.32253 8.958436 15.81032 7.445006 9.512203       11.64825 
1 1 1 -21 10 37 o 26.37471 7.813159 40.19460       21.60257 -5.209753      29.13959 95.59837       32.18877 17.67904 7.970009 40.40919 8.411903 -22.73016      11.58797 
1 1 1 -21 10 38 f 26.76991 7.747827 41.61684       21.45773 56.76015       29.94699 25.63912       30.76099 30.40520 9.243677 23.09428 9.152405 7.310919       13.00815 
1 1 1 -21 10 39 o 26.52911 8.528897 41.83152       25.12903 29.36668       30.67191 67.28000       43.82564 23.73036 9.217674 31.63292 11.25426 -7.902559      14.54730 
1 1 1 -21 10 40 o 14.85699 6.993355 -19.53029      26.18352 -25.28000      57.74995 -18.04251      29.37646 21.51535 10.20458 16.01184 7.495709 5.503515       12.66172 
1 1 1 -21 10 41 o 24.71833 9.293067 35.22560       30.51694 0.000000       0.000000 35.22560       30.51694 ?        ?        24.71833 9.293067 ?              ?        
1 1 1 -21 10 42 o 16.74813 7.444237 -0.3198066     24.47021 -7.953000      39.81809 4.312541       31.01901 19.46454 8.978991 19.08259 8.436742 0.3819447      12.32075 
1 1 1 -21 10 43 o 15.03668 6.864298 -7.049590      22.45724 -11.70974      32.23765 -2.656105      31.30171 17.23837 7.996521 18.08587 8.196520 -0.8475056     11.45108 
1 1 1 -21 10 44 o 18.79768 8.029690 10.37966       26.15224 2.189240       33.68908 22.80000       41.48610 19.14582 8.605707 23.07062 9.986642 -3.924805      13.18299 
1 1 1 -21 10 45 o 27.52824 9.018226 48.63051       28.02040 42.36440       37.28701 56.76000       42.47076 25.89386 10.13299 28.48641 10.90391 -2.592545      14.88532 
1 1 1 -21 10 46 o 18.13428 7.733393 9.388980       24.18578 26.88431       35.43716 -5.866415      33.09097 22.93489 9.545174 17.97101 8.251873 4.963875       12.61760 
1 1 1 -21 10 47 o 20.43494 8.072374 21.04154       23.85822 18.60974       34.57560 23.25185       32.96337 21.46763 9.202854 22.00829 9.186367 -0.5406666     13.00315 
1 1 1 -21 10 48 o 14.28724 6.688965 -14.20518      23.40214 -4.515003      33.22215 -23.74913      32.97053 18.10088 8.295420 16.05129 7.640870 2.049589       11.27816 
1 1 1 -21 10 49 o 21.49489 8.258461 25.84135       24.42422 -26.18597      34.83089 76.17233       34.25836 16.22947 7.760859 33.16212 9.843000 -16.93265      12.53458 
1 1 1 -21 10 50 o 23.80736 8.685745 35.19843       26.29978 47.69185       37.65407 23.29809       36.74944 26.38788 10.22325 22.24417 9.510645 4.143717       13.96306 
1 1 1 -21 10 51 o 52.58727 5.642943 153.1080       28.59262 196.7107       42.66661 117.5642       38.52237 56.74435 7.895282 41.60747 9.646873 15.13688       12.46586 
1 1 1 -21 10 52 o 33.00439 8.984915 73.83358       29.79951 148.3000       54.01059 41.24481       35.72997 41.76740 12.34935 24.59523 9.825635 17.17217       15.78130 
1 1 1 -21 10 53 o 15.16426 7.049154 -8.982385      25.25410 -29.66682      37.60089 8.016225       34.08654 16.18360 7.821238 19.17351 8.633973 -2.989912      11.64977 
1 1 1 -21 11 1  o 70.32539 3.322416 243.6344       22.80566 276.4000       52.58514 236.0439       25.30975 74.02547 7.354470 69.15609 3.753027 4.869385       8.256721 
1 1 1 -21 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 11 3  o 147.5611 3.958978 1073.061       57.13060 1237.000       113.0714 1016.862       66.20259 157.1309 7.372203 143.4327 4.721858 13.69823       8.754731 
1 1 1 -21 11 4  o 91.77300 2.943838 414.0556       26.41027 371.1376       39.40625 449.0533       35.58493 86.58136 4.667052 95.43372 3.817113 -8.852356      6.029240 
1 1 1 -21 11 5  o 30.51735 4.422423 46.87330       12.82579 41.52953       21.23337 49.94311       16.09351 28.30601 7.532048 31.31963 5.447309 -3.013620      9.295424 
1 1 1 -21 11 6  o 85.92753 2.922377 363.0604       24.54383 303.2303       36.15482 414.1999       33.42599 78.20767 4.745250 91.65517 3.733629 -13.44749      6.037995 
1 1 1 -21 11 7  o 57.41335 3.121122 162.4664       17.47405 145.5189       27.90712 173.3960       22.41119 53.94456 5.355852 59.20707 3.888622 -5.262516      6.618650 
1 1 1 -21 11 8  o 63.29196 3.355967 197.5708       20.71655 186.5000       36.43000 202.8620       25.18521 60.91976 6.195446 64.02727 4.039182 -3.107506      7.395847 
1 1 1 -21 11 9  o 134.3624 3.879168 890.3795       50.96447 861.2917       62.89454 946.0000       86.97116 131.8522 4.881684 137.5673 6.477015 -5.715088      8.110645 
1 1 1 -21 11 10 o 82.61046 3.929651 337.2193       31.68461 0.000000       0.000000 337.2193       31.68461 ?        ?        82.61046 3.929651 ?              ?        
1 1 1 -21 11 11 o 22.63389 5.937869 26.44243       13.31660 16.53283       20.82537 33.29709       17.32038 20.57669 7.689107 25.35570 6.827703 -4.779015      10.28299 
1 1 1 -21 11 12 o 94.76802 2.984084 442.0405       27.64633 434.7400       40.94886 448.1556       37.47704 93.64994 4.480117 95.20120 4.030886 -1.551262      6.026566 
1 1 1 -21 11 13 o 53.13810 3.393202 139.6406       17.55686 119.4254       26.58477 155.2770       23.38094 48.64579 5.690584 55.87612 4.308179 -7.230328      7.137447 
1 1 1 -21 11 14 o 66.66759 3.111728 219.2388       20.24990 200.0892       29.69197 235.8910       27.68828 63.32858 4.826324 68.95984 4.120774 -5.631256      6.346195 
1 1 1 -21 11 15 o 27.30630 5.590776 38.50263       14.43966 18.11762       20.74944 57.64531       20.10723 20.91258 7.700977 33.37419 6.387703 -12.46161      10.00539 
1 1 1 -21 11 16 o 100.6950 3.073976 499.8227       30.26256 554.1931       46.05492 458.5081       40.14636 105.6221 4.464734 96.11465 4.277992 9.507477       6.183451 
1 1 1 -21 11 17 o 45.31876 3.782984 102.2160       16.62810 92.63609       23.68526 111.5263       23.34970 42.63202 5.828360 47.03069 5.156624 -4.398666      7.782066 
1 1 1 -21 11 18 o 49.59218 3.612053 122.1627       17.41349 119.4967       24.21188 125.0193       25.06294 48.67487 5.160315 49.78130 5.221104 -1.106438      7.340897 
1 1 1 -21 11 19 o 40.21683 5.007248 81.91354       19.28547 79.39122       22.89244 88.08000       35.79389 39.25284 6.160846 40.32975 9.262722 -1.076908      11.12448 
1 1 1 -21 11 20 o 78.98561 3.756371 309.7386       28.95852 340.3360       35.71313 251.0000       49.48201 82.57605 4.434693 69.66061 7.368507 12.91544       8.600081 
1 1 1 -21 11 21 o 14.78323 6.100620 3.829030       14.30609 8.531621       18.12815 -3.934836      23.29292 17.45859 6.990596 16.76344 7.364997 0.6951561      10.15439 
1 1 1 -21 11 22 o 93.04758 3.235198 428.5352       29.42056 433.0021       42.05096 424.2521       41.17672 92.98694 4.634669 92.06319 4.583821 0.9237518      6.518556 
1 1 1 -21 11 23 o 43.47845 4.460236 95.32838       18.71301 98.49000       26.40002 92.13584       26.52884 43.55817 6.381171 41.99259 6.677488 1.565586       9.236243 
1 1 1 -21 11 24 o 43.74158 4.386389 96.49435       18.52736 49.16000       25.10188 153.1394       27.45992 30.08193 8.269595 54.92274 5.168642 -24.84081      9.751977 
1 1 1 -21 11 25 o 80.46851 4.112058 323.8148       32.28115 357.6000       70.13639 314.7339       36.36155 81.48671 8.939881 79.06239 4.720062 2.424324       10.10942 
1 1 1 -21 11 26 o 74.24933 3.431149 274.1896       24.86925 257.8359       34.59352 291.6816       35.77719 71.36618 4.983492 75.99796 4.834543 -4.631775      6.943198 
1 1 1 -21 11 27 o 33.30325 5.500550 57.63195       17.30535 62.62950       22.51452 50.41673       27.05258 34.21869 6.959175 30.24433 8.683013 3.974361       11.12766 
1 1 1 -21 11 28 o 62.93122 3.609083 197.8121       22.13830 186.0498       30.25409 211.3698       32.48095 60.38985 5.167784 64.37745 5.198709 -3.987602      7.330250 
1 1 1 -21 11 29 o 25.35837 6.828970 34.68886       17.32597 52.86854       22.72067 9.427985       26.78256 31.07382 7.546219 20.02037 8.312293 11.05346       11.22674 
1 1 1 -21 11 30 o 46.37090 4.447468 109.2864       19.93949 113.8000       26.45950 103.3546       30.33313 46.68307 5.923689 43.74663 7.343772 2.936440       9.435098 
1 1 1 -21 11 31 o 15.01328 6.486689 0.2222510      17.43776 -16.91688      21.85918 30.21728       28.91772 13.98851 6.521284 24.64035 9.088217 -10.65184      11.18583 
1 1 1 -21 11 32 o 50.51409 5.080844 131.8699       24.78116 100.0211       29.20821 213.7000       46.81822 42.78518 7.231832 62.35001 7.844594 -19.56483      10.66945 
1 1 1 -21 11 33 o 14.58567 6.419508 -2.035687      17.76822 -18.39392      23.01077 22.12143       27.96312 14.13838 6.623630 22.39125 8.771330 -8.252866      10.99130 
1 1 1 -21 11 34 o 28.20559 7.043776 44.60144       19.38714 58.26925       25.85965 27.05998       29.29585 31.67626 8.257264 23.51182 9.041744 8.164440       12.24482 
1 1 1 -21 11 35 o 25.88077 7.382373 37.96300       19.61649 49.17024       26.50368 24.38586       29.17164 28.87767 8.678256 22.84307 8.955740 6.034601       12.47066 
1 1 1 -21 11 36 o 63.62102 4.413558 208.0948       27.31461 263.6000       43.01072 170.5785       35.36060 69.91015 6.354731 55.96753 6.580297 13.94262       9.147836 
1 1 1 -21 11 37 o 59.94763 4.657431 186.2376       27.11480 231.6000       41.39865 152.1586       35.88244 65.16280 6.580601 52.19741 7.215868 12.96538       9.765914 
1 1 1 -21 11 38 o 31.75977 7.881745 59.04688       24.38604 59.81966       28.95227 57.16000       45.24032 31.28019 8.983436 29.80681 11.29078 1.473377       14.42858 
1 1 1 -21 11 39 o 16.75286 7.125376 5.514435       20.43719 2.427070       28.14083 8.960271       29.72967 18.33148 8.073077 19.73296 8.497435 -1.401478      11.72096 
1 1 1 -21 11 40 o 22.11121 8.140564 26.44768       23.18374 34.24000       36.38885 21.12358       30.07861 24.95500 9.933533 21.82799 8.908688 3.127008       13.34315 
1 1 1 -21 11 41 f 29.66188 9.528951 56.44075       31.37160 0.000000       0.000000 56.44075       31.37160 ?        ?        29.66188 9.528951 ?              ?        
1 1 1 -21 11 42 f 19.71049 8.301181 13.50602       27.28875 -39.22000      59.13584 27.77145       30.75961 20.37177 9.836260 22.91483 9.129146 -2.543060      13.41988 
1 1 1 -21 11 43 f 21.88596 8.542807 25.42872       26.44695 10.13276       34.64510 46.79000       40.94182 20.44586 8.982544 26.81573 10.58034 -6.369867      13.87911 
1 1 1 -21 11 44 o 20.37216 8.058379 20.37818       23.80476 -3.075246      35.61557 39.31553       32.00341 18.89759 8.633538 25.14439 9.502791 -6.246794      12.83904 
1 1 1 -21 11 45 o 36.39913 8.369868 82.12787       29.19719 51.73298       37.83126 126.9000       45.91499 27.55451 10.34962 42.25209 10.99714 -14.69758      15.10138 
1 1 1 -21 11 46 o 15.07463 7.066324 -15.31684      26.25344 -26.22481      33.68992 1.549000       41.89209 16.04326 7.661115 20.46303 9.354302 -4.419773      12.09114 
1 1 1 -21 11 47 o 26.97302 8.334560 45.84410       24.22132 69.95711       35.10572 23.93674       33.46164 31.68141 10.06977 22.16458 9.253864 9.516830       13.67605 
1 1 1 -21 11 48 o 38.96718 6.802048 87.74445       25.00112 71.32277       35.92744 103.1629       34.81274 31.77806 10.19630 39.97159 9.102256 -8.193529      13.66805 
1 1 1 -21 11 49 o 48.66536 5.854627 131.5332       27.32904 157.5598       39.83242 108.3850       37.56535 50.45748 8.357303 40.13897 9.675367 10.31851       12.78504 
1 1 1 -21 11 50 o 16.32671 7.608076 -11.30339      29.70140 13.56457       36.63889 -58.97000      50.72585 20.74797 9.171300 17.27620 8.504788 3.471766       12.50776 
1 1 1 -21 11 51 o 26.33064 9.128605 47.13928       28.70619 51.34000       51.53126 45.24918       34.56621 26.32663 11.25927 25.55895 9.823385 0.7676811      14.94222 
1 1 1 -21 11 52 o 19.50619 8.099648 18.16430       25.43349 -11.63134      37.31465 44.01694       34.75806 17.67733 8.329445 24.97214 9.780082 -7.294811      12.84639 
1 1 1 -21 12 1  o 37.04744 3.705490 68.23170       13.25712 68.08222       23.18786 68.30429       16.15846 36.38919 6.758763 36.91927 4.568774 -0.5300789     8.158098 
1 1 1 -21 12 2  o 57.20804 3.018108 161.2455       16.84065 136.7594       27.20975 176.4491       21.44065 52.26689 5.396014 59.75788 3.683430 -7.490990      6.533347 
1 1 1 -21 12 3  o 113.1754 3.063012 629.8923       33.90062 583.7296       49.44833 670.8315       46.56677 108.6009 4.662565 116.5826 4.087038 -7.981682      6.200273 
1 1 1 -21 12 4  o 28.24317 4.706739 40.44880       12.55418 51.96896       21.73197 34.67876       15.38010 31.62227 7.184906 25.89499 6.158269 5.727285       9.462935 
1 1 1 -21 12 5  o 69.64421 3.169546 238.9416       21.55006 213.5000       39.05085 250.0822       25.84107 65.20973 6.192247 71.16581 3.722593 -5.956078      7.225070 
1 1 1 -21 12 6  o 56.09707 3.141070 155.1912       17.17853 124.3589       27.93940 173.9317       21.78236 49.68998 5.856743 59.30259 3.772089 -9.612617      6.966354 
1 1 1 -21 12 7  o 51.11644 4.065199 129.6750       20.17247 111.5388       27.02337 152.5000       30.31605 46.97541 6.014927 55.11702 5.701502 -8.141613      8.287730 
1 1 1 -21 12 8  o 69.40991 3.544112 237.8475       23.99911 203.4000       51.89995 247.2166       27.06670 62.79215 8.675704 70.69848 3.926707 -7.906330      9.522965 
1 1 1 -21 12 9  o 39.15301 3.921339 76.35004       14.82613 74.47443       24.22683 77.47305       18.74637 38.03927 6.754055 39.23481 4.994390 -1.195545      8.400071 
1 1 1 -21 12 10 o 73.15288 2.991060 263.5758       21.37203 262.9502       32.98706 264.0284       28.05712 72.73866 4.657577 73.04627 3.938655 -0.3076172     6.099675 
1 1 1 -21 12 11 o 22.99102 5.965178 27.35783       13.53795 36.38860       21.79324 21.68318       17.27545 26.56971 7.841563 21.26661 7.085815 5.303091       10.56877 
1 1 1 -21 12 12 o 30.36941 4.951220 46.91352       14.21159 52.84375       22.34163 42.88322       18.41825 31.75837 7.334948 28.67548 6.685649 3.082891       9.924685 
1 1 1 -21 12 13 o 93.44991 3.020347 430.2287       27.59123 451.9386       41.99442 413.7386       36.59937 95.39999 4.509914 91.38525 4.102038 4.014748       6.096396 
1 1 1 -21 12 14 o 16.78710 6.196961 11.30046       13.45003 5.883578       20.33976 15.50974       17.92979 17.72877 7.290871 19.43511 7.158338 -1.706343      10.21756 
1 1 1 -21 12 15 o 43.66164 3.909018 95.00299       16.52948 91.01622       24.78166 98.19823       22.18563 42.16403 6.188653 44.08815 5.243562 -1.924122      8.111373 
1 1 1 -21 12 16 o 77.36394 3.093398 295.4015       23.37783 278.4574       34.25035 310.1811       31.98796 74.69454 4.708531 79.01695 4.150357 -4.322411      6.276602 
1 1 1 -21 12 17 o 28.22685 5.778687 41.35297       15.42805 39.83133       21.83762 42.86931       21.79954 27.50577 7.770159 28.47451 7.656486 -0.9687481     10.90858 
1 1 1 -21 12 18 o 13.62545 6.093186 -6.342719      16.65492 1.005407       20.11371 -22.37000      29.70530 16.52885 7.050682 16.58547 7.687552 -0.5662346E-01 10.43123 
1 1 1 -21 12 19 o 39.19619 5.172226 78.17339       19.36011 79.76891       23.06616 74.37000       35.61309 39.28672 6.203923 36.81428 9.735459 2.472435       11.54417 
1 1 1 -21 12 20 o 58.91178 3.569461 172.4817       20.48653 195.9425       29.10534 149.4448       28.84114 62.43401 4.799417 54.24132 5.508523 8.192692       7.306040 
1 1 1 -21 12 21 o 9.814881 4.755526 -22.84493      14.12747 -14.67704      18.05815 -35.73068      22.68155 12.86283 5.973011 12.43455 6.025007 0.4282827      8.483959 
1 1 1 -21 12 22 o 57.49399 3.887969 165.0031       21.75153 177.8000       33.03717 155.2113       28.89908 59.01039 5.794263 55.24899 5.413238 3.761395       7.929479 
1 1 1 -21 12 23 o 103.4675 3.583269 531.8684       36.23545 591.1000       61.14906 499.8136       44.98422 107.7927 5.817092 99.80676 4.617132 7.985977       7.426740 
1 1 1 -21 12 24 f 52.96677 3.813450 140.2639       19.63862 124.0658       26.91255 158.7135       28.72207 49.15542 5.698896 55.82439 5.320640 -6.668976      7.796578 
1 1 1 -21 12 25 o 74.82118 3.367754 278.2543       24.60121 303.5881       35.33109 254.4114       34.27564 77.61897 4.671948 70.89591 4.970715 6.723061       6.821664 
1 1 1 -21 12 26 o 76.44202 3.308396 290.3882       24.69598 259.2356       33.85299 325.8266       36.10663 71.58688 4.860043 80.41936 4.606176 -8.832481      6.696034 
1 1 1 -21 12 27 o 58.90288 3.713839 173.5408       21.30342 194.0939       29.76400 151.9519       30.50484 61.79906 4.962102 54.24440 5.836982 7.554661       7.661124 
1 1 1 -21 12 28 o 38.53585 4.854601 76.11414       17.90605 60.00146       23.31872 99.26665       27.95244 33.21408 7.365705 43.22854 6.832884 -10.01446      10.04699 
1 1 1 -21 12 29 o 46.78081 4.332819 110.9260       19.61471 119.5386       26.08775 99.72524       29.75054 48.01659 5.659160 43.00392 7.330378 5.012672       9.260698 
1 1 1 -21 12 30 o 31.24289 6.073254 52.08805       17.90371 51.68846       22.80400 52.73013       28.90709 30.51324 7.650262 30.40941 9.045511 0.1038322      11.84685 
1 1 1 -21 12 31 o 44.49574 4.766579 101.7863       20.43706 123.6144       27.46568 74.70798       30.59100 48.49232 5.908253 36.07246 8.753765 12.41986       10.56105 
1 1 1 -21 12 32 o 14.32327 6.351073 -3.385566      17.70386 -0.3227797     22.60144 -8.248621      28.47950 16.67976 7.293496 17.34324 7.843225 -0.6634789     10.71033 
1 1 1 -21 12 33 o 42.37289 5.134264 93.87662       20.86088 83.46086       28.29162 106.2868       30.88174 38.39812 7.793923 43.66259 7.495689 -5.264473      10.81345 
1 1 1 -21 12 34 o 29.86866 6.963303 49.93039       19.98108 58.10250       27.09642 40.19029       29.58192 31.40984 8.574692 26.49600 9.261814 4.913834       12.62167 
1 1 1 -21 12 35 f 15.43309 6.735968 0.1441318      19.20124 -19.44579      25.93814 23.89477       28.56013 14.93815 7.009171 22.57389 8.858046 -7.635745      11.29573 
1 1 1 -21 12 36 o 41.27181 5.527988 90.72588       21.77090 101.9135       30.08718 78.43045       31.54169 42.41850 7.521747 36.04673 8.974414 6.371765       11.70969 
1 1 1 -21 12 37 o 29.00884 8.208724 49.83818       24.35113 63.30021       29.18477 18.99000       44.17900 32.24199 8.937625 23.88609 10.32261 8.355902       13.65421 
1 1 1 -21 12 38 o 16.16917 7.072553 0.9530973      21.26817 29.25000       30.14025 -27.11022      30.01560 23.62690 9.148451 15.32173 7.292691 8.305171       11.69946 
1 1 1 -21 12 39 o 23.96914 8.600150 32.77338       25.64720 21.01000       31.93086 54.16000       43.05420 22.14980 9.124737 28.91522 11.00025 -6.765427      14.29217 
1 1 1 -21 12 40 o 43.07581 6.095170 101.7535       24.98246 117.5000       38.54934 90.35149       32.80323 43.39933 9.350782 38.27718 8.920973 5.122150       12.92366 
1 1 1 -21 12 41 o 40.22637 6.176989 89.60178       23.54548 125.6817       34.86903 59.36207       31.92240 46.06978 8.023869 30.18194 9.603436 15.88783       12.51433 
1 1 1 -21 12 42 o 32.72891 10.08339 72.93989       35.48345 108.0000       62.26814 56.08000       43.18039 35.30296 13.27414 28.44846 10.96754 6.854504       17.21888 
1 1 1 -21 12 43 o 31.15224 8.789397 61.98400       27.96013 106.0000       59.85757 49.69968       31.62201 35.03488 13.04691 27.47380 9.577707 7.561085       16.18501 
1 1 1 -21 12 44 o 25.18897 9.027101 39.57251       28.24775 60.13000       58.94495 33.44394       32.18408 28.70779 12.15092 23.95428 9.402197 4.753511       15.36379 
1 1 1 -21 12 45 o 20.23174 8.001343 20.33294       23.46495 17.99687       33.19216 22.66685       33.17675 21.19661 9.050039 21.95172 9.193192 -0.7551098     12.90031 
1 1 1 -21 12 46 f 43.62477 7.040552 110.5419       29.04063 76.97038       36.23832 170.8000       48.55017 33.12556 10.18729 50.39487 10.19295 -17.26931      14.41101 
1 1 1 -21 12 47 o 23.34492 8.717897 32.75780       26.76229 43.38731       34.20890 15.99000       42.96556 25.76374 9.804415 22.13887 9.850833 3.624866       13.89840 
1 1 1 -21 12 48 o 16.83066 7.619607 -2.213602      26.96480 11.30465       34.10638 -24.75000      44.03698 20.18121 8.887684 18.30501 8.746027 1.876202       12.46932 
1 1 1 -21 12 49 o 15.33469 7.250643 -18.57464      28.72745 -11.32219      34.99147 -33.57000      50.31510 17.62564 8.228118 18.76998 9.065365 -1.144333      12.24266 
1 1 1 -21 12 50 o 20.04055 8.141607 19.81570       24.98402 48.34135       37.37187 -3.235142      33.59468 26.21573 10.17706 18.07053 8.303770 8.145205       13.13488 
1 1 1 -21 12 51 o 21.26747 8.670464 24.89699       28.45382 13.62000       49.97850 30.30507       34.61050 21.96326 10.10557 22.69321 9.437950 -0.7299519     13.82741 
1 1 1 -21 12 52 o 13.33104 6.408004 -23.56032      24.44098 18.27875       35.66471 -60.60846      33.56069 20.76304 9.118089 13.23256 6.584698 7.530479       11.24712 
1 1 1 -21 13 1  o 75.89249 3.240343 283.8308       24.01570 347.9000       56.20181 269.5187       26.56298 83.06462 6.976800 73.87576 3.685037 9.188866       7.890199 
1 1 1 -21 13 2  o 119.3961 4.206974 704.5395       49.08929 0.000000       0.000000 704.5395       49.08929 ?        ?        119.3961 4.206974 ?              ?        
1 1 1 -21 13 3  o 115.8282 3.096783 660.1602       35.07854 592.8966       50.40533 723.3328       48.84841 109.3710 4.719449 120.9971 4.130537 -11.62608      6.271724 
1 1 1 -21 13 4  o 71.93945 2.938748 254.7916       20.65002 231.2364       32.79426 270.2675       26.58168 68.15006 4.949894 73.97314 3.682730 -5.823082      6.169599 
1 1 1 -21 13 5  o 108.8671 3.047168 583.2325       32.43933 536.5865       47.60381 623.6721       44.32387 104.0293 4.687017 112.3526 4.036965 -8.323227      6.185888 
1 1 1 -21 13 6  o 47.62932 4.212934 112.8911       19.43875 90.31103       26.14537 140.8000       29.06727 42.02348 6.571276 52.90433 5.703155 -10.88086      8.701015 
1 1 1 -21 13 7  o 34.48308 4.915013 60.07205       16.12061 33.32000       43.53172 64.32379       17.35443 29.01733 11.05583 35.66039 5.118361 -6.643061      12.18315 
1 1 1 -21 13 8  o 129.0226 3.262994 819.9842       41.17556 757.8989       59.09331 878.5735       57.40544 123.5403 4.896488 133.2054 4.408835 -9.665131      6.588886 
1 1 1 -21 13 9  o 63.75356 3.086751 200.4607       19.20524 194.6852       30.74323 204.1572       24.59479 62.41849 5.075644 64.18792 3.933454 -1.769428      6.421388 
1 1 1 -21 13 10 o 81.20193 3.247528 325.2257       25.76016 303.9000       45.57885 335.2349       31.22561 77.74934 6.036343 82.30738 3.886821 -4.558037      7.179471 
1 1 1 -21 13 11 o 101.3211 3.038344 505.7236       30.09900 450.5257       43.49727 556.4370       41.69289 95.19585 4.682442 106.0277 4.024627 -10.83184      6.174373 
1 1 1 -21 13 12 o 72.69312 3.047933 260.6101       21.63915 264.1176       33.54557 258.1104       28.31883 72.79304 4.733704 72.13833 4.026519 0.6547089      6.214564 
1 1 1 -21 13 13 o 69.41727 3.111561 237.8425       21.08855 225.9418       32.26555 246.7176       27.86373 67.22291 4.938065 70.49817 4.055005 -3.275261      6.389644 
1 1 1 -21 13 14 o 16.43023 6.192273 10.16778       13.56784 5.879049       20.94715 13.26753       17.80836 17.91171 7.385885 18.72351 7.085852 -0.8117962     10.23526 
1 1 1 -21 13 15 o 58.26598 3.344600 168.0615       18.99490 176.5792       29.33044 161.9084       24.92880 59.29241 5.103351 56.92045 4.511185 2.371964       6.811386 
1 1 1 -21 13 16 o 39.54711 5.162316 79.36771       19.50666 96.29923       24.99509 52.99000       31.19788 43.35981 6.054086 31.51118 9.402891 11.84863       11.18330 
1 1 1 -21 13 17 o 44.83500 4.743679 101.2731       20.50262 132.9217       26.20157 51.29000       32.92770 51.26505 5.297790 31.07160 9.736339 20.19346       11.08435 
1 1 1 -21 13 18 o 87.04607 3.707539 376.0461       31.51703 363.7488       39.23986 398.4000       52.90542 85.24162 4.721384 88.54958 6.141964 -3.307953      7.746947 
1 1 1 -21 13 19 f 54.45945 3.599632 147.5424       19.08073 115.0058       26.82130 180.8818       27.15016 47.37124 5.912796 60.01271 4.658381 -12.64146      7.527394 
1 1 1 -21 13 20 o 7.785385 3.923135 -43.34983      13.81882 -44.12828      18.73199 -42.42032      20.46881 10.02442 4.976676 10.91541 5.379073 -0.8909874     7.328146 
1 1 1 -21 13 21 o 54.63786 3.954953 149.2033       21.00834 151.7000       32.47374 147.4063       27.55022 54.28617 6.223753 53.86917 5.293189 0.4170036      8.170247 
1 1 1 -21 13 22 o 71.49052 3.645199 254.3933       25.42377 238.8000       39.01256 265.9041       33.51881 68.34471 5.889055 72.68083 4.737352 -4.336121      7.558007 
1 1 1 -21 13 23 o 60.13809 3.581815 180.2049       20.98877 195.6917       30.06789 165.4873       29.31175 62.17429 4.982338 57.01265 5.313665 5.161644       7.284142 
1 1 1 -21 13 24 o 68.99920 4.309461 239.0643       28.96006 254.8000       63.84275 234.9876       32.49567 67.80328 9.912437 68.15311 4.903960 -0.3498306     11.05917 
1 1 1 -21 13 25 o 66.38926 3.520207 219.6145       22.79382 227.4141       32.78406 212.3161       31.71326 66.94693 5.039954 64.67036 5.049916 2.276566       7.134619 
1 1 1 -21 13 26 o 62.26521 3.601637 193.5821       21.85719 196.6182       30.51734 190.3842       31.31973 62.16288 5.059146 61.05428 5.293017 1.108593       7.321952 
1 1 1 -21 13 27 o 81.16836 3.342982 327.9635       26.50309 262.1807       35.94860 406.2950       39.22779 71.71752 5.155346 89.77122 4.478412 -18.05370      6.828892 
1 1 1 -21 13 28 o 86.99458 3.390558 377.1396       28.81623 353.6110       40.52265 401.2094       40.98591 83.36884 4.988601 88.99304 4.722040 -5.624207      6.869047 
1 1 1 -21 13 29 o 49.38682 4.252649 123.6450       20.35779 95.49205       27.30019 158.9098       30.55440 42.19995 6.843372 55.30056 5.727479 -13.10061      8.923887 
1 1 1 -21 13 30 o 33.18190 5.948358 58.60432       18.61018 37.46835       24.17457 89.35237       29.15791 26.04853 8.364488 40.21346 7.687740 -14.16493      11.36072 
1 1 1 -21 13 31 o 29.57158 6.619661 47.87655       18.68245 39.33270       24.13192 60.65790       29.51573 26.45365 8.341475 32.22440 9.008883 -5.770748      12.27763 
1 1 1 -21 13 32 o 28.99681 6.658491 46.43226       18.49933 50.16096       23.77000 40.70459       29.46047 29.56331 8.014792 26.76493 9.249331 2.798382       12.23875 
1 1 1 -21 13 33 o 16.74523 6.882163 7.764622       18.10883 20.66436       23.53245 -10.96579      28.35636 21.14557 8.110870 16.80667 7.687864 4.338903       11.17540 
1 1 1 -21 13 34 o 16.14292 6.788241 5.194877       18.20382 17.31425       24.11948 -10.84579      27.74847 20.40564 8.098759 16.58093 7.592279 3.824707       11.10102 
1 1 1 -21 13 35 o 17.82828 7.127907 11.74021       18.81838 3.090113       25.12076 22.80211       28.40777 17.80493 7.738787 22.26135 8.803891 -4.456429      11.72166 
1 1 1 -21 13 36 o 16.39911 7.124736 1.928564       21.27364 -1.947361      25.46190 10.89000       38.71614 17.03398 7.581101 21.95235 9.573444 -4.918371      12.21163 
1 1 1 -21 13 37 o 20.82771 7.637753 22.29669       20.37568 37.55913       27.54505 3.853179       30.27982 25.39376 8.932651 19.14437 8.404596 6.249386       12.26497 
1 1 1 -21 13 38 o 21.52676 7.897458 24.56122       21.78854 45.52000       31.64781 5.675190       30.04214 27.19775 9.574188 19.26195 8.415990 7.935793       12.74731 
1 1 1 -21 13 39 o 45.83632 5.763820 113.7609       25.28944 151.2000       39.49511 87.74308       32.92425 50.58338 8.261732 37.59377 9.055539 12.98961       12.25802 
1 1 1 -21 13 40 o 31.01573 10.16832 64.07713       35.62014 84.91000       62.57370 54.09000       43.32487 32.71014 13.02429 28.55823 10.99215 4.151913       17.04288 
1 1 1 -21 13 41 o 21.92799 8.384940 25.94760       25.09762 2.257619       31.06768 70.45000       42.58122 18.70780 8.346995 31.31315 11.09806 -12.60535      13.88666 
1 1 1 -21 13 42 o 19.63911 7.733450 18.37763       21.83482 9.721127       31.55728 26.32801       30.24283 19.80117 8.639092 22.44590 9.014895 -2.644724      12.48608 
1 1 1 -21 13 43 o 19.36472 8.236000 12.43179       27.30327 -31.87000      58.79100 24.61426       30.82959 20.51771 9.881861 22.10595 9.020319 -1.588236      13.37974 
1 1 1 -21 13 44 o 15.47234 7.232850 -14.41411      27.19106 -28.43000      55.16614 -9.916307      31.25088 20.15209 9.671241 17.07842 7.905212 3.073675       12.49101 
1 1 1 -21 13 45 o 24.67462 9.047902 37.99825       28.59341 78.55000       56.33118 23.92362       33.18657 30.92269 12.34266 22.15655 9.230439 8.766138       15.41240 
1 1 1 -21 13 46 o 29.49487 8.105753 54.31436       24.12122 37.71783       34.22993 70.68517       33.99637 24.65771 9.690970 32.01411 9.871012 -7.356398      13.83300 
1 1 1 -21 13 47 o 22.15751 8.632774 27.61264       26.96671 54.00967       33.59845 -20.18000      45.20872 28.03251 9.865099 18.94135 8.996786 9.091156       13.35149 
1 1 1 -21 13 48 o 25.39834 9.769911 42.57874       34.21103 42.57874       34.21103 0.000000       0.000000 25.39834 9.769911 ?        ?        ?              ?        
1 1 1 -21 13 49 o 11.90816 5.899230 -48.23917      25.79119 -40.19131      32.66129 -61.57000      42.03604 14.50288 7.073058 15.41606 7.617823 -0.9131775     10.39516 
1 1 1 -21 13 50 o 33.06954 8.643362 71.77017       28.28497 53.45000       46.46535 82.55529       35.65142 26.67654 11.00021 33.82951 10.04114 -7.152966      14.89392 
1 1 1 -21 13 51 o 31.35989 8.248279 64.18445       25.65274 77.33112       36.95674 51.96050       35.63620 31.80691 10.35289 26.50452 10.02521 5.302391       14.41135 
1 1 1 -21 13 52 o 31.34371 8.928058 68.17004       28.71080 73.49670       36.54398 59.58000       46.40725 30.64457 10.30731 26.74787 11.00774 3.896696       15.08016 
1 1 1 -21 14 1  o 49.21684 3.119596 119.6503       14.95125 117.8157       25.78169 120.5800       18.35241 48.35951 5.546856 49.29373 3.833726 -0.9342194     6.742779 
1 1 1 -21 14 2  o 45.27113 3.305561 101.4308       14.54686 95.23145       24.97500 104.6138       17.89587 43.28552 6.060479 45.85857 4.027687 -2.573048      7.276790 
1 1 1 -21 14 3  o 40.49099 3.644991 81.46680       14.29198 61.00065       25.04974 91.34427       17.40236 34.11361 7.686707 42.79289 4.209021 -8.679283      8.763637 
1 1 1 -21 14 4  o 77.06791 3.527537 293.3102       26.53983 279.8999       34.86011 311.8000       40.93305 75.00161 4.773219 79.02264 5.323013 -4.021034      7.149691 
1 1 1 -21 14 5  o 31.43306 5.257112 50.37683       15.60408 12.50000       42.50240 56.27748       16.77555 25.29178 10.48352 33.24601 5.335464 -7.954222      11.76313 
1 1 1 -21 14 6  o 29.58038 6.160966 45.31309       17.25839 24.25739       23.63128 69.38000       25.26460 23.24413 8.264697 36.48345 7.329405 -13.23932      11.04651 
1 1 1 -21 14 7  o 88.24524 2.992587 383.5804       25.81163 346.7272       39.27877 411.5904       34.24343 83.45911 4.828767 91.22653 3.843475 -7.767426      6.171652 
1 1 1 -21 14 8  o 107.6445 3.391947 571.6410       35.69479 581.7000       64.63484 567.2269       42.81611 107.6161 6.161727 107.0338 4.094318 0.5822601      7.397995 
1 1 1 -21 14 9  f 53.68970 3.259800 142.5338       17.05049 120.2113       27.39893 156.6421       21.78212 48.70800 5.864676 56.15587 3.988731 -7.447868      7.092560 
1 1 1 -21 14 10 o 13.56984 5.661446 2.107493       12.51114 -8.484489      20.38592 8.507427       15.84636 14.95864 6.711344 16.75682 6.591292 -1.798185      9.406768 
1 1 1 -21 14 11 o 20.52301 6.194652 21.36631       13.48290 31.91969       22.39277 15.36444       16.88711 25.15165 8.047709 19.09460 6.960967 6.057049       10.64052 
1 1 1 -21 14 12 o 10.23356 4.831357 -14.09981      12.66550 -3.886597      20.80781 -20.11100      15.96341 15.90866 6.976108 11.14712 5.309266 4.761543       8.766663 
1 1 1 -21 14 13 o 23.40559 6.078239 28.55219       14.04749 12.55431       22.43336 38.87141       18.01717 19.89181 7.836959 27.20440 6.788402 -7.312584      10.36824 
1 1 1 -21 14 14 o 39.31111 4.143034 77.44234       15.70245 88.86324       24.86588 69.86721       20.25110 41.55291 6.311842 36.89916 5.797935 4.653748       8.570613 
1 1 1 -21 14 15 o 23.34516 6.965370 28.17074       17.12024 19.45605       22.50175 40.15000       26.38187 21.56593 8.005445 27.77072 8.716871 -6.204786      11.83516 
1 1 1 -21 14 16 o 92.02309 3.696812 419.9988       33.23117 437.1044       42.88774 394.3000       52.56794 93.50365 4.701040 88.14400 6.131089 5.359642       7.725932 
1 1 1 -21 14 17 o 45.08871 4.078305 101.8043       17.80480 117.7031       26.57359 88.85253       23.98455 47.99731 5.771918 41.51442 6.082779 6.482891       8.385419 
1 1 1 -21 14 18 o 68.70461 3.303691 233.9628       22.15220 241.2834       33.13937 228.0493       29.78439 69.25066 4.920993 67.45409 4.537410 1.796570       6.693599 
1 1 1 -21 14 19 o 37.98638 5.079895 73.61461       18.41507 101.6000       29.39115 55.52842       23.62785 44.00928 7.061615 32.16210 7.622568 11.84718       10.39086 
1 1 1 -21 14 20 o 43.18584 4.544571 94.20306       18.92299 100.6000       29.80676 89.88411       24.49162 43.67590 7.224503 41.62860 6.199460 2.047306       9.519808 
1 1 1 -21 14 21 o 19.68879 6.921929 18.11831       16.53841 -0.3386000     24.56511 33.41967       22.36682 17.74469 7.682946 25.27354 8.038259 -7.528849      11.11941 
1 1 1 -21 14 22 f 50.92248 3.882126 129.8215       19.20435 108.6939       27.30160 150.5134       27.01871 45.73901 6.262371 54.41605 5.133265 -8.677040      8.097388 
1 1 1 -21 14 23 o 79.43559 3.315041 313.4480       25.71903 309.3474       37.49898 317.0903       35.34126 78.22348 4.922478 79.37466 4.568064 -1.151184      6.715504 
1 1 1 -21 14 24 o 57.54028 3.742508 165.5274       20.96419 140.5444       29.47747 191.0964       29.82121 52.19193 5.871820 61.34839 5.009686 -9.156460      7.718498 
1 1 1 -21 14 25 o 51.07784 4.032835 131.1676       19.99924 144.2896       28.20106 117.8915       28.36606 52.99661 5.517066 47.53389 6.247734 5.462727       8.334998 
1 1 1 -21 14 26 o 74.41281 3.407670 275.9183       24.75467 243.3525       34.37320 311.0076       35.68013 69.10003 5.118349 78.41109 4.669975 -9.311058      6.928648 
1 1 1 -21 14 27 o 56.73342 3.913747 161.7416       21.60073 159.9622       30.01412 163.6535       31.11152 55.68291 5.581967 56.25078 5.730428 -0.5678749     7.999760 
1 1 1 -21 14 28 o 47.10021 4.436318 112.8433       20.21187 117.3011       27.97676 107.9764       29.23236 47.21123 6.204039 44.92627 6.865029 2.284962       9.253038 
1 1 1 -21 14 29 o 24.82620 6.965609 33.70423       17.61168 7.975976       23.37512 67.48625       26.78500 18.59277 7.746320 34.66660 8.048577 -16.07383      11.17072 
1 1 1 -21 14 30 o 24.96192 7.079618 34.38359       18.09204 20.81885       23.56265 53.86800       28.23982 21.40815 8.139338 30.47886 8.907778 -9.070717      12.06637 
1 1 1 -21 14 31 o 47.40128 4.714315 115.9041       21.58370 122.1845       29.52920 108.6998       31.62653 47.63289 6.503060 44.18982 7.584846 3.443073       9.990979 
1 1 1 -21 14 32 o 17.70910 7.053121 11.37809       18.35511 -0.5243881     23.89498 28.51073       28.66818 16.94258 7.451093 23.71837 8.987168 -6.775791      11.67424 
1 1 1 -21 14 33 o 15.70943 6.729047 2.739537       18.45845 8.715551       24.37893 -5.288746      28.25662 18.69411 7.858032 17.48839 7.869304 1.205715       11.12091 
1 1 1 -21 14 34 o 21.13829 7.406082 23.62657       18.92198 20.71703       25.33238 27.29869       28.45914 21.31161 8.348501 23.21839 8.916113 -1.906786      12.21452 
1 1 1 -21 14 35 o 11.57316 5.620613 -29.89097      20.03956 -21.70068      24.03867 -48.55000      36.28315 13.96629 6.612233 15.43510 7.511410 -1.468818      10.00714 
1 1 1 -21 14 36 o 34.55848 6.322216 65.83161       20.59818 72.17167       27.87591 58.20651       30.57069 34.90151 8.284557 30.63833 9.344437 4.263184       12.48809 
1 1 1 -21 14 37 o 28.59770 7.574831 47.82208       21.53754 55.68000       30.88052 40.37932       30.05367 29.78269 9.441752 26.02953 9.313193 3.753162       13.26206 
1 1 1 -21 14 38 o 26.75651 7.865510 42.46991       21.96290 33.73000       31.94337 50.30594       30.24652 24.53460 9.439809 28.32958 9.373910 -3.794975      13.30339 
1 1 1 -21 14 39 o 32.59259 7.035565 61.03480       21.78664 57.65915       30.66276 64.47652       30.96133 30.05596 9.392192 31.80355 9.336024 -1.747595      13.24291 
1 1 1 -21 14 40 o 16.59385 7.289434 1.837130       22.80988 2.414000       35.74507 1.440863       29.62586 19.76134 8.874864 18.30960 8.161363 1.451748       12.05699 
1 1 1 -21 14 41 o 13.00142 6.252076 -26.24078      23.32006 -30.71018      28.90042 -17.90000      39.48049 14.39635 6.932334 18.24463 8.587788 -3.848276      11.03664 
1 1 1 -21 14 42 o 17.03287 7.240966 7.476660       21.08802 20.91470       30.14700 -5.398754      29.50916 21.32756 8.833771 17.19626 7.857170 4.131292       11.82246 
1 1 1 -21 14 43 o 26.52089 8.011687 43.29559       22.54598 31.92854       32.44737 53.90717       31.35057 23.63657 9.389441 28.47920 9.546549 -4.842632      13.39023 
1 1 1 -21 14 44 o 31.26326 7.793536 59.75934       23.76472 67.48659       35.35437 53.39004       32.09790 31.04288 10.12745 28.11576 9.656997 2.927116       13.99367 
1 1 1 -21 14 45 o 20.05017 8.413176 16.41534       27.86851 -26.67000      55.62121 30.85706       32.20217 20.19101 9.695436 23.22882 9.311616 -3.037813      13.44276 
1 1 1 -21 14 46 o 17.35043 7.809502 -0.3498815     27.85174 14.53000       55.08029 -5.461489      32.28310 23.26067 10.66797 17.73617 8.146427 5.524498       13.42274 
1 1 1 -21 14 47 o 21.54001 8.703332 24.47056       28.37361 31.36539       34.73330 10.64000       49.19309 23.35194 9.556965 22.13481 10.12540 1.217138       13.92334 
1 1 1 -21 14 48 o 20.91493 8.178539 23.68661       24.27544 -2.145817      34.28716 49.65052       34.37431 18.44726 8.444107 26.81492 9.905378 -8.367659      13.01612 
1 1 1 -21 14 49 o 25.78258 9.589736 45.45171       32.31947 48.87000       45.30671 41.91000       46.11734 26.14163 10.82873 25.16866 10.70415 0.9729671      15.22631 
1 1 1 -21 14 50 o 25.82593 8.990301 45.37519       27.85679 47.16074       35.17199 42.37000       45.62950 25.74187 9.905106 24.89415 10.61934 0.8477230      14.52176 
1 1 1 -21 14 51 o 23.02705 8.848922 34.59932       28.04556 36.43186       36.07577 31.80000       44.58770 23.48788 9.689746 23.16007 10.18211 0.3278122      14.05584 
1 1 1 -21 15 1  o 81.12395 3.341641 324.8354       26.47795 341.7000       61.41997 320.9858       29.34476 81.72783 7.771143 80.55688 3.731670 1.170944       8.620674 
1 1 1 -21 15 2  o 73.51994 3.247785 266.7634       23.31447 389.6000       57.17604 242.2657       25.53370 87.78061 6.705151 69.95858 3.742397 17.82203       7.678840 
1 1 1 -21 15 3  o 81.29839 4.265821 327.9867       33.82740 421.0000       60.85748 286.4000       40.69289 91.18908 6.868615 75.59196 5.538105 15.59711       8.823177 
1 1 1 -21 15 4  o 24.60109 5.882074 31.44145       13.97215 24.11000       41.13673 32.39753       14.85528 26.78861 10.59429 24.95279 6.127641 1.835829       12.23875 
1 1 1 -21 15 5  o 40.91610 3.639020 83.25745       14.42232 97.97045       25.48960 76.32913       17.49147 43.83591 6.106050 38.95394 4.681103 4.881973       7.693931 
1 1 1 -21 15 6  o 13.83282 5.607341 4.149421       11.82087 -4.519704      21.94197 7.694347       14.03110 16.27355 7.149047 15.84331 6.211187 0.4302425      9.470360 
1 1 1 -21 15 7  o 19.62375 6.811660 17.69055       15.98577 5.753710       22.26956 30.38000       22.96087 18.36499 7.598231 24.77928 8.165930 -6.414286      11.15417 
1 1 1 -21 15 8  o 94.79305 2.995348 442.8983       27.75777 432.6067       42.66378 450.4524       36.55193 93.20755 4.691381 95.35916 3.924377 -2.151611      6.116354 
1 1 1 -21 15 9  o 32.16871 4.529150 52.33614       13.86691 52.95615       24.31887 52.03743       16.88004 31.60846 7.886339 31.81336 5.626526 -0.2048931     9.687732 
1 1 1 -21 15 10 f 70.29662 3.066193 243.9510       21.04720 213.7556       32.79472 265.0987       27.44510 65.26385 5.175996 73.10825 3.848794 -7.844406      6.450129 
1 1 1 -21 15 11 o 113.1118 3.495750 632.4647       38.65742 631.4000       68.53523 632.9615       46.81553 111.7843 6.289001 112.8908 4.244234 -1.106438      7.587164 
1 1 1 -21 15 12 o 48.33001 3.588542 116.0745       16.85509 118.5555       27.28991 114.5445       21.43138 48.24103 5.902141 47.76657 4.642219 0.4744606      7.509026 
1 1 1 -21 15 13 o 22.58635 6.190192 26.57644       14.08962 -2.197597      22.12721 46.19933       18.27291 16.68286 7.256946 29.68160 6.472301 -12.99874      9.723886 
1 1 1 -21 15 14 o 58.15710 4.004810 168.5687       22.65850 158.7367       30.01285 181.6000       34.55246 55.96293 5.552116 59.73003 5.990683 -3.767094      8.167881 
1 1 1 -21 15 15 o 23.68958 7.000059 29.24148       17.35809 36.31586       23.37233 20.54000       25.92115 26.37092 8.193652 22.53658 8.544282 3.834339       11.83810 
1 1 1 -21 15 16 o 96.19608 3.170808 457.7001       29.81534 457.7181       45.02958 457.6860       39.78609 95.53903 4.830839 95.79380 4.253751 -0.2547684     6.436723 
1 1 1 -21 15 17 o 25.77070 6.288004 35.04833       15.71896 39.35580       23.58350 31.60502       21.08559 27.23205 8.186788 24.70418 7.798193 2.527863       11.30643 
1 1 1 -21 15 18 o 74.64814 3.493199 276.7155       25.45320 311.3000       43.88700 259.1861       31.24484 78.23571 5.771556 71.91151 4.460846 6.324203       7.294519 
1 1 1 -21 15 19 o 35.38248 5.243001 64.29467       17.60961 54.80000       27.86953 70.60458       22.71963 31.66308 8.717245 36.66164 6.572603 -4.998562      10.91739 
1 1 1 -21 15 20 o 65.21175 3.536356 211.6445       22.48847 220.6630       33.65202 204.3671       30.22957 65.94040 5.257290 63.59658 4.893756 2.343815       7.182475 
1 1 1 -21 15 21 o 121.0342 3.357177 726.9313       39.73461 718.8151       58.05196 734.0854       54.50230 119.3796 4.978918 120.8955 4.614201 -1.515907      6.788260 
1 1 1 -21 15 22 o 15.91582 6.450268 6.429590       15.63793 -5.882169      22.20340 18.54804       22.02840 15.89963 7.077631 20.95700 7.891943 -5.057368      10.60074 
1 1 1 -21 15 23 o 62.95814 3.546308 197.6549       21.76583 211.2097       32.12444 186.1514       29.59408 64.44756 5.134834 60.52246 5.041272 3.925091       7.195898 
1 1 1 -21 15 24 o 19.59257 6.872674 18.27836       16.29764 16.78982       22.83929 19.82267       23.26325 20.64060 7.971367 21.48015 8.105490 -0.8395557     11.36845 
1 1 1 -21 15 25 o 81.39879 4.073442 332.5605       32.35217 406.0000       69.84686 312.5009       36.50414 86.68524 8.334402 78.53667 4.771083 8.148567       9.603410 
1 1 1 -21 15 26 o 90.17311 4.050071 408.2350       35.65629 378.9000       70.03503 418.4992       41.42731 83.17655 8.732227 90.92706 4.670302 -7.750504      9.902702 
1 1 1 -21 15 27 o 53.45135 4.057219 144.2250       21.06867 90.60267       28.48985 208.9435       31.29909 40.80718 7.405235 63.88932 5.045858 -23.08214      8.960926 
1 1 1 -21 15 28 o 47.89671 4.397602 116.8590       20.38719 79.83324       27.58019 161.4619       30.27100 37.98539 7.682083 55.71000 5.628310 -17.72461      9.523249 
1 1 1 -21 15 29 o 22.10847 7.226623 26.01470       17.99751 12.68573       24.15414 42.65127       26.98517 19.68725 8.002596 27.43334 8.840005 -7.746084      11.92423 
1 1 1 -21 15 30 o 45.38879 4.777968 106.4547       20.90944 109.0188       28.41278 103.4256       30.88217 44.86929 6.672057 43.09280 7.599062 1.776485       10.11247 
1 1 1 -21 15 31 o 16.53887 6.888605 6.349884       18.47747 28.83437       24.71000 -22.16989      27.82943 23.35622 8.433726 15.32707 7.213128 8.029159       11.09761 
1 1 1 -21 15 32 o 13.82001 6.255922 -6.728055      18.17064 12.01445       23.84091 -32.70548      28.06771 19.21984 7.897634 14.31944 6.878940 4.900391       10.47342 
1 1 1 -21 15 33 o 19.46769 7.314120 17.85553       18.89684 8.281437       24.91643 30.81845       28.99269 18.68686 7.904291 24.08297 9.057195 -5.396103      12.02126 
1 1 1 -21 15 34 o 22.15780 7.806857 26.49348       21.04564 25.11491       25.52571 29.42000       37.19105 22.30449 8.473610 24.60066 9.955563 -2.296173      13.07346 
1 1 1 -21 15 35 o 27.12229 7.432264 42.50677       20.31279 35.11049       28.13910 50.55472       29.35254 24.84878 8.996199 28.73547 9.215832 -3.886688      12.87879 
1 1 1 -21 15 36 o 58.16793 4.654053 176.0052       26.27760 218.7000       41.70327 147.8917       33.84077 62.76725 6.901566 51.55333 6.877636 11.21393       9.743382 
1 1 1 -21 15 37 o 22.61592 7.843386 28.74371       21.19290 15.63000       30.80265 40.53139       29.20380 20.99406 8.829309 25.96316 9.191946 -4.969103      12.74553 
1 1 1 -21 15 38 o 30.44898 7.182215 53.80730       21.05683 68.06631       30.20481 40.32518       29.37042 32.87982 9.084064 25.77041 9.208290 7.109404       12.93495 
1 1 1 -21 15 39 o 41.12601 7.154644 97.14289       27.75586 98.16000       61.03979 96.87777       31.16410 34.47725 13.10221 40.15180 8.206814 -5.674545      15.46026 
1 1 1 -21 15 40 o 41.60482 5.719762 94.81999       22.67730 129.0444       33.41212 65.58906       30.87860 46.94431 7.525513 31.67174 9.330574 15.27257       11.98720 
1 1 1 -21 15 41 o 25.42904 8.154437 39.80305       22.98127 46.60000       36.21873 35.22231       29.73337 26.61865 10.09802 24.17384 9.154240 2.444811       13.62975 
1 1 1 -21 15 42 o 23.28028 8.444606 32.28975       24.80989 38.80773       30.15364 18.63000       43.65203 24.93164 9.264831 22.69022 10.02111 2.241426       13.64770 
1 1 1 -21 15 43 o 13.50631 6.335140 -14.37306      21.15793 -39.62751      30.35605 9.486348       29.50572 14.01922 6.833129 19.23040 8.372364 -5.211187      10.80686 
1 1 1 -21 15 44 o 17.35667 7.382501 8.356665       21.94038 -5.110790      31.51892 21.01718       30.56006 17.63425 8.080977 21.28321 8.861407 -3.648951      11.99278 
1 1 1 -21 15 45 o 26.50143 8.130912 44.00832       23.10186 28.05114       32.96193 59.41424       32.38758 22.74973 9.310242 29.44314 9.698205 -6.693409      13.44380 
1 1 1 -21 15 46 o 22.15576 9.462532 22.66104       36.30730 -4.206000      53.91183 44.96000       49.11526 21.49032 10.09035 26.12762 11.07666 -4.637300      14.98358 
1 1 1 -21 15 47 o 19.29671 8.276693 12.79946       27.99459 -27.60000      54.40000 27.35178       32.64955 19.74600 9.509041 22.42276 9.230955 -2.676767      13.25264 
1 1 1 -21 15 48 o 19.72809 8.716653 10.26483       33.06147 0.000000       0.000000 10.26483       33.06147 ?        ?        19.72809 8.716653 ?              ?        
1 1 1 -21 15 49 o 18.13907 7.678919 11.95361       23.54803 -12.92918      33.29475 36.85793       33.30915 16.87415 7.925038 23.89560 9.506487 -7.021452      12.37657 
1 1 1 -21 15 50 o 36.48965 8.216124 85.76991       28.63686 85.70614       36.64169 85.87000       45.90286 33.80528 10.21385 31.58374 11.48214 2.221535       15.36757 
1 1 1 -21 15 51 o 16.24875 7.456017 -3.225636      26.95369 15.58419       34.46884 -32.83000      43.24263 20.08051 8.884991 16.96172 8.241967 3.118784       12.11912 
1 1 1 -21 16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -21 16 2  o 47.61217 3.849821 112.7928       17.78885 135.7000       51.41105 109.6772       18.96002 49.84284 10.84660 46.87781 4.175708 2.965031       11.62262 
1 1 1 -21 16 3  o 62.56804 4.525708 195.2993       27.52961 275.2000       53.01551 165.8000       32.21317 73.22520 7.502638 57.25489 5.829176 15.97031       9.500993 
1 1 1 -21 16 4  o 125.4844 3.223599 776.7958       39.56191 776.2842       59.29237 777.2064       53.11410 124.8160 4.862438 125.1151 4.343635 -0.2990875     6.520005 
1 1 1 -21 16 5  o 60.36601 3.124966 180.0588       18.40192 145.4763       30.19428 200.4940       23.21059 53.57447 5.852958 63.57995 3.746180 -10.00548      6.949172 
1 1 1 -21 16 6  o 49.75913 3.373102 122.7232       16.33179 89.06582       27.11397 141.8875       20.45974 41.44324 6.928335 53.40302 3.941848 -11.95978      7.971198 
1 1 1 -21 16 7  o 91.37994 2.983811 411.7882       26.65298 383.3926       40.77965 432.9637       35.21554 87.65202 4.771070 93.46759 3.857460 -5.815575      6.135398 
1 1 1 -21 16 8  o 12.55979 5.421821 -0.9866325     12.16121 -1.645837      21.93017 -0.6938932     14.61411 16.73803 7.253119 13.84957 5.960747 2.888463       9.388197 
1 1 1 -21 16 9  o 24.08641 5.710809 30.23811       13.25814 16.00824       23.30262 37.04932       16.12190 20.92936 8.060015 26.59643 6.291835 -5.667072      10.22502 
1 1 1 -21 16 10 o 35.30884 4.376463 62.85278       14.80204 50.76714       25.11523 69.28497       18.32238 30.83477 8.185584 36.88335 5.220882 -6.048584      9.708831 
1 1 1 -21 16 11 o 64.80261 3.200342 207.7744       20.23716 158.3131       31.46849 242.6559       26.42657 55.80418 5.847813 69.87187 3.879182 -14.06769      7.017476 
1 1 1 -21 16 12 o 67.11276 3.824310 223.9437       25.01860 205.6126       33.20985 248.0000       38.04410 63.81190 5.366588 70.02965 5.596620 -6.217747      7.753864 
1 1 1 -21 16 13 o 55.69999 4.028796 154.8652       21.81683 164.5460       29.45547 143.1000       32.47192 57.01316 5.340340 52.74202 6.422159 4.271141       8.352447 
1 1 1 -21 16 14 o 49.20018 4.306720 121.4323       20.53160 131.3884       27.65235 109.2000       30.65073 50.75846 5.661968 45.69786 7.081265 5.060600       9.066543 
1 1 1 -21 16 15 o 25.94754 6.037021 35.41735       15.04342 46.92223       23.45075 27.37243       19.60996 29.54306 7.940009 23.22362 7.540132 6.319443       10.94976 
1 1 1 -21 16 16 o 32.18888 5.279599 53.38065       16.05843 58.26161       25.67672 50.24511       20.57988 32.82221 8.053616 30.72044 7.000501 2.101765       10.67088 
1 1 1 -21 16 17 o 21.33508 6.812238 23.13623       16.05157 37.91000       26.22408 14.28492       20.29825 26.90251 8.718316 19.53039 7.522184 7.372122       11.51487 
1 1 1 -21 16 18 o 15.31169 6.338494 4.140007       15.50922 17.77000       24.52716 -4.940572      20.01964 21.42079 8.263860 15.25119 6.758566 6.169601       10.67565 
1 1 1 -21 16 19 o 51.59293 3.824675 133.1548       19.17747 113.6806       29.00087 148.2879       25.56499 46.68251 6.524714 54.10618 4.879549 -7.423664      8.147509 
1 1 1 -21 16 20 o 36.65169 5.034087 68.87145       17.58352 55.93562       26.05226 79.69436       23.82979 31.93538 8.269575 38.94345 6.478978 -7.008066      10.50538 
1 1 1 -21 16 21 o 16.60934 6.635313 8.163534       16.29422 34.15400       23.88030 -14.47835      22.28893 25.49999 8.323635 14.62735 6.736884 10.87264       10.70834 
1 1 1 -21 16 22 o 20.74609 6.898186 21.61909       16.37442 0.6184054      23.60635 41.09332       22.73224 17.49850 7.553834 27.49858 7.979313 -10.00007      10.98771 
1 1 1 -21 16 23 o 81.47916 3.328144 330.2923       26.48743 316.9651       38.69160 342.0467       36.33695 78.99557 5.030017 82.35587 4.525013 -3.360298      6.765856 
1 1 1 -21 16 24 o 54.23222 3.889432 147.7211       20.50956 151.5509       30.08101 144.3941       28.03658 54.12782 5.766281 52.95513 5.488403 1.172691       7.960689 
1 1 1 -21 16 25 o 42.63118 4.690863 92.81805       19.25121 49.51930       26.47891 141.3680       28.03863 29.76398 8.604439 52.31134 5.561008 -22.54736      10.24506 
1 1 1 -21 16 26 o 79.78957 3.409856 317.9151       26.56965 266.4142       36.84845 373.6891       38.34663 72.03615 5.262216 85.84299 4.580272 -13.80685      6.976375 
1 1 1 -21 16 27 o 39.73098 5.163360 81.94212       19.60567 55.34515       26.74814 112.8210       28.82094 31.16894 8.523682 45.96338 6.594691 -14.79444      10.77697 
1 1 1 -21 16 28 o 20.83693 7.206054 22.13592       17.88323 -2.602371      24.18880 51.95841       26.55837 16.84689 7.449160 30.05236 8.595552 -13.20548      11.37425 
1 1 1 -21 16 29 o 21.71796 7.281555 25.01262       18.23890 2.809089       25.06873 49.98416       26.58544 17.95148 7.766899 29.33257 8.661941 -11.38109      11.63417 
1 1 1 -21 16 30 o 39.99677 5.443726 84.54382       20.75954 64.35545       28.90179 106.0604       29.83741 32.96749 8.794373 43.74351 7.220213 -10.77602      11.37860 
1 1 1 -21 16 31 o 23.26631 7.533008 30.03062       19.58083 46.48574       26.75144 11.04071       28.73811 28.08657 8.772123 20.18132 8.510188 7.905249       12.22184 
1 1 1 -21 16 32 o 16.69959 6.989410 6.463936       19.15948 16.02744       25.19089 -6.660136      29.51000 20.29055 8.199894 17.60043 7.969306 2.690119       11.43451 
1 1 1 -21 16 33 o 17.74445 7.388894 8.665046       21.25111 20.15216       25.58226 -16.91000      38.17171 21.18531 8.362016 18.61802 8.658656 2.567289       12.03726 
1 1 1 -21 16 34 o 19.08722 7.359468 16.36643       19.44460 22.20096       26.57001 9.638247       28.53237 21.73131 8.538911 19.68739 8.397780 2.043926       11.97647 
1 1 1 -21 16 35 o 30.23531 7.508609 53.12270       22.12050 60.29000       33.09860 47.33737       29.73693 30.80008 9.776254 27.78453 9.297385 3.015551       13.49135 
1 1 1 -21 16 36 o 36.76907 6.444430 75.22112       22.34884 96.06000       33.67546 58.81870       29.87654 39.62820 8.899865 30.59645 9.218205 9.031744       12.81339 
1 1 1 -21 16 37 o 47.70123 5.881873 123.7727       26.88221 99.88409       32.14016 179.4000       49.04519 40.82592 8.325298 53.35693 9.749895 -12.53101      12.82073 
1 1 1 -21 16 38 o 32.84668 8.255269 65.57737       26.50720 123.3000       58.89877 50.91671       29.68315 39.16416 13.08440 28.30986 9.282382 10.85431       16.04257 
1 1 1 -21 16 39 o 39.23069 5.894951 84.83193       21.93732 95.31100       31.45184 74.90420       30.61328 39.48470 8.396499 34.29730 9.005603 5.187405       12.31268 
1 1 1 -21 16 40 o 17.76102 7.257152 11.99851       19.98815 30.46349       28.93645 -4.852511      27.64292 23.13497 8.962278 16.81907 7.653892 6.315897       11.78578 
1 1 1 -21 16 41 o 39.21887 6.052163 85.86745       22.48660 87.56891       32.81932 84.36195       30.87168 36.76648 9.154807 36.47271 8.758068 0.2937698      12.66942 
1 1 1 -21 16 42 o 23.18548 8.276641 32.06793       23.72219 41.16000       39.14497 26.79095       29.82205 25.57064 10.26093 22.36989 8.963080 3.200752       13.62437 
1 1 1 -21 16 43 o 25.83987 8.856958 42.79794       26.99607 79.81804       33.91988 -21.17000      44.58786 34.32669 9.679484 18.78069 8.924591 15.54600       13.16589 
1 1 1 -21 16 44 o 21.86319 7.978607 27.78052       22.19398 26.83190       32.14145 28.64503       30.68334 22.43534 9.188993 22.64711 9.085618 -0.2117748     12.92231 
1 1 1 -21 16 45 o 15.72781 7.268834 -9.279499      26.27233 -23.85180      31.68093 22.81000       47.01271 15.64975 7.460993 23.26192 10.33012 -7.612172      12.74275 
1 1 1 -21 16 46 o 16.79655 7.333085 4.800832       22.76985 2.378303       33.10223 6.976507       31.37037 18.74371 8.468179 19.02232 8.443379 -0.2786160     11.95829 
1 1 1 -21 16 47 o 16.20336 7.352117 -3.091045      25.27576 33.03000       42.05990 -23.50957      31.62280 23.96712 10.20879 15.59229 7.439301 8.374832       12.63181 
1 1 1 -21 16 48 o 23.67486 8.928082 35.81058       28.21467 -5.578000      54.81988 50.72495       32.90790 21.07148 9.978848 26.82522 9.726306 -5.753744      13.93479 
1 1 1 -21 16 49 o 19.15956 8.191082 14.55237       27.25491 -6.038000      52.15363 22.28825       31.96738 20.46581 9.704087 21.07137 8.934793 -0.6055698     13.19090 
1 1 1 -21 16 50 o 18.46802 8.096048 10.51710       28.00671 18.59000       54.58586 7.632596       32.62881 22.38745 10.39207 18.83182 8.466502 3.555624       13.40436 
1 1 1 -21 17 1  o 102.0583 3.374929 514.7736       33.66831 510.3000       64.27888 516.4650       39.52373 100.2601 6.586364 102.0380 3.964761 -1.777901      7.687622 
1 1 1 -21 17 2  o 92.83039 3.611053 426.6073       32.74923 419.9621       44.07320 434.8000       48.93643 91.65440 4.930793 93.07294 5.394707 -1.418533      7.308596 
1 1 1 -21 17 3  o 62.77995 3.616871 195.4715       22.13186 260.7000       57.54579 184.1485       23.97597 70.61873 8.495479 60.82573 4.050081 9.793003       9.411499 
1 1 1 -21 17 4  o 96.23725 2.999124 456.8947       28.21716 448.1230       43.88607 463.0765       36.84201 94.74534 4.747320 96.62248 3.903497 -1.877144      6.146082 
1 1 1 -21 17 5  o 20.33918 5.917837 21.25161       12.48843 4.719090       23.25946 27.94810       14.80314 18.41762 7.704225 23.15450 6.344634 -4.736876      9.980453 
1 1 1 -21 17 6  o 30.52698 4.611804 47.37477       13.35110 18.35047       23.59429 61.04575       16.19295 21.54922 8.155919 34.65808 4.910612 -13.10887      9.520144 
1 1 1 -21 17 7  o 56.50203 3.233199 158.1000       17.80680 141.6338       30.13811 166.9310       22.07120 52.72540 5.943111 57.90773 3.916935 -5.182323      7.117791 
1 1 1 -21 17 8  o 57.12940 3.306496 161.7393       18.41087 101.2708       29.73428 199.3358       23.44589 44.05675 7.139188 63.32273 3.800176 -19.26598      8.087605 
1 1 1 -21 17 9  o 80.55476 3.082447 320.6850       24.26001 276.9334       37.83168 351.2418       31.61646 74.16190 5.245415 84.08614 3.851567 -9.924240      6.507607 
1 1 1 -21 17 10 o 12.74208 5.527419 -1.391656      12.76372 -28.00613      23.07816 10.33667       15.32005 13.39526 6.381061 17.01021 6.539281 -3.614953      9.136746 
1 1 1 -21 17 11 o 33.41829 5.560862 57.61109       17.55104 57.14984       25.28442 58.04000       24.38201 32.59301 7.988527 32.91829 7.704212 -0.3252792     11.09826 
1 1 1 -21 17 12 o 75.16476 3.725695 280.8816       27.32575 253.4855       35.59460 320.2000       42.64207 70.88402 5.165598 79.55030 5.510393 -8.666283      7.553002 
1 1 1 -21 17 13 o 32.92939 5.890963 56.38000       18.29073 52.09302       25.22878 61.13000       26.55625 31.04531 8.186646 33.62291 8.154061 -2.577595      11.55465 
1 1 1 -21 17 14 o 81.98347 3.141355 332.7464       25.16200 302.3307       38.12468 356.2200       33.49252 77.43616 5.057540 84.51054 4.060724 -7.074387      6.486000 
1 1 1 -21 17 15 o 24.88309 6.262133 32.74747       15.23812 13.75839       23.76948 45.99696       19.85489 20.33912 8.050164 29.34920 7.008298 -9.010082      10.67340 
1 1 1 -21 17 16 o 31.56074 5.621561 51.79547       16.72964 81.55000       28.20785 35.65028       20.77854 39.00932 7.660963 25.88559 7.661275 13.12373       10.83446 
1 1 1 -21 17 17 o 30.48036 5.800646 48.61623       16.67417 36.10000       26.69070 56.62758       21.35386 26.36629 8.808053 32.58850 6.908999 -6.222204      11.19447 
1 1 1 -21 17 18 o 52.37560 3.785705 137.2015       19.27708 129.4671       29.59294 142.9026       25.40713 49.99157 6.179022 53.06353 4.948684 -3.071960      7.916426 
1 1 1 -21 17 19 o 11.08806 5.252122 -17.04098      15.20182 -6.138154      23.67717 -24.68739      19.82847 16.40272 7.304719 12.30389 5.875995 4.098832       9.374765 
1 1 1 -21 17 20 f 37.17240 4.925293 70.78236       17.48030 87.59775       26.82192 58.36707       23.04701 40.59298 7.003417 32.85720 7.350239 7.735779       10.15253 
1 1 1 -21 17 21 o 49.55244 4.101639 123.5949       19.71625 102.2500       29.16349 141.5633       26.75758 43.87079 7.028592 52.60191 5.267633 -8.731121      8.783454 
1 1 1 -21 17 22 o 63.98400 3.612516 204.5867       22.53303 217.6872       33.73799 194.0373       30.27550 65.23281 5.330237 61.70004 5.057367 3.532772       7.347679 
1 1 1 -21 17 23 o 16.08979 6.629331 5.629775       16.85777 3.612418       23.59706 7.732578       24.09160 17.96213 7.648644 18.91232 7.870565 -0.9501896     10.97486 
1 1 1 -21 17 24 o 60.81293 3.751689 185.4766       22.22335 167.8668       32.19887 201.4965       30.71101 56.85817 5.869788 62.79925 5.038368 -5.941082      7.735603 
1 1 1 -21 17 25 f 28.61882 6.531007 44.36171       17.89034 29.17412       25.31399 59.51759       25.28755 23.96095 8.550223 32.62817 7.984108 -8.667215      11.69839 
1 1 1 -21 17 26 o 70.43439 3.601736 248.9059       24.74904 202.4376       35.02613 295.2381       34.97478 62.27814 5.812943 76.07159 4.720317 -13.79346      7.488104 
1 1 1 -21 17 27 o 42.40178 4.993616 93.20654       20.32856 75.15456       28.85032 111.0069       28.64858 36.30722 8.299514 45.41278 6.641282 -9.105556      10.62961 
1 1 1 -21 17 28 o 41.82621 5.081242 91.20333       20.37670 57.98224       28.12296 127.9190       29.56511 31.44948 8.794315 48.86574 6.329716 -17.41626      10.83537 
1 1 1 -21 17 29 o 27.02940 7.016557 41.02365       18.72429 26.71000       25.91547 56.65653       27.08341 22.95165 8.577290 31.00960 8.615098 -8.057951      12.15688 
1 1 1 -21 17 30 o 20.49032 7.358056 21.28315       18.77820 25.35963       26.24079 17.00448       26.88366 22.61329 8.591351 20.90682 8.463000 1.706472       12.05959 
1 1 1 -21 17 31 o 28.13948 7.920839 46.08173       22.73468 27.67872       27.71011 83.98000       39.76524 23.23309 8.828189 36.07037 10.57824 -12.83728      13.77810 
1 1 1 -21 17 32 o 19.24210 7.758739 14.13081       22.49725 29.75723       27.46563 -17.73000      39.21825 23.60493 8.828339 18.78080 8.748556 4.824135       12.42887 
1 1 1 -21 17 33 o 24.48950 7.666636 34.47538       20.42129 65.14589       28.22684 0.7918186      29.58086 32.84539 8.658524 18.53427 8.214357 14.31112       11.93506 
1 1 1 -21 17 34 o 10.31356 5.124654 -44.36181      20.03139 -52.36000      29.52387 -37.53928      27.26779 13.11477 6.462394 13.50178 6.557060 -0.3870106     9.206388 
1 1 1 -21 17 35 o 34.20129 6.834471 66.24577       22.07910 99.00663       32.79243 39.07846       29.86202 40.58707 8.525888 25.61147 9.268184 14.97560       12.59325 
1 1 1 -21 17 36 o 15.66382 7.040660 -3.851990      22.55025 4.192631       26.90221 -22.86000      41.35266 18.17911 7.952978 18.47671 8.725107 -0.2975960     11.80582 
1 1 1 -21 17 37 o 33.93177 7.986310 68.93999       26.08123 66.08000       57.88949 69.66836       29.21419 30.23356 12.35153 33.44778 8.804540 -3.214224      15.16840 
1 1 1 -21 17 38 o 13.83811 6.354962 -8.579467      19.63465 -11.71882      27.72306 -5.419867      27.81233 16.04652 7.433878 16.86598 7.676046 -0.8194675     10.68570 
1 1 1 -21 17 39 o 48.41484 4.839167 124.5415       22.62575 123.3896       32.64993 125.6057       31.38295 45.78728 7.547792 46.64339 7.097307 -0.8561096     10.36055 
1 1 1 -21 17 40 o 14.89920 6.625045 -1.032145      19.40038 -24.46874      27.16193 23.37583       27.71910 14.38208 6.870893 21.43688 8.623286 -7.054801      11.02589 
1 1 1 -21 17 41 o 40.11695 5.756514 88.77724       21.95769 85.69535       31.72065 91.61261       30.42555 36.59243 8.934916 38.53194 8.311499 -1.939518      12.20302 
1 1 1 -21 17 42 f 23.98178 7.882745 35.13019       21.40111 22.78234       31.15821 46.15811       29.44583 21.63861 8.973277 26.50707 9.242169 -4.868469      12.88167 
1 1 1 -21 17 43 o 16.24247 7.236548 0.3211956      23.26376 10.54000       38.16458 -5.720805      29.34613 20.75261 9.255882 16.99236 7.790790 3.760254       12.09826 
1 1 1 -21 17 44 o 16.60107 7.453877 -0.6616018     25.19896 -28.41165      30.78808 55.65000       43.85809 14.99388 7.203363 27.68516 10.94216 -12.69128      13.10036 
1 1 1 -21 17 45 o 19.62238 7.803882 18.95981       22.43913 61.06709       32.16726 -20.95158      31.31727 29.71505 9.657818 15.79096 7.496837 13.92409       12.22604 
1 1 1 -21 17 46 o 30.56625 8.395991 60.13014       25.88689 77.84000       41.26994 48.64220       33.23896 31.81932 10.94939 26.55652 9.752393 5.262802       14.66282 
1 1 1 -21 17 47 o 17.39167 7.426915 9.052749       22.36145 36.38723       31.24019 -19.66704      32.02203 23.88227 9.295371 15.97729 7.583975 7.904976       11.99669 
1 1 1 -21 17 48 o 18.80025 7.715405 16.22055       22.71626 32.94344       32.15235 -0.4468713     32.09899 23.02464 9.278411 17.93525 8.194777 5.089390       12.37915 
1 1 1 -21 17 49 o 38.01731 6.895582 86.64637       24.71543 93.47400       35.22993 80.02936       34.68228 36.02656 9.753316 32.84072 9.940127 3.185837       13.92599 
1 1 1 -21 17 50 o 17.39098 8.063372 -3.496626      32.71831 10.09000       52.94639 -11.89000      41.61490 21.32533 10.00868 18.15880 8.627017 3.166523       13.21359 
1 1 1 -21 18 1  o 83.35965 3.407444 344.0905       27.74434 453.6000       70.14021 323.7780       30.20805 93.59347 7.724960 80.73215 3.833649 12.86131       8.623913 
1 1 1 -21 18 2  o 105.4465 3.567124 550.8491       36.76470 583.0000       81.00210 542.5076       41.25923 106.0686 7.857758 104.4646 4.042651 1.603966       8.836707 
1 1 1 -21 18 3  o 94.86562 3.948494 447.2376       36.58441 0.000000       0.000000 447.2376       36.58441 ?        ?        94.86562 3.948494 ?              ?        
1 1 1 -21 18 4  o 90.12354 3.665962 402.9124       32.27193 359.6930       42.61899 461.0000       49.40888 84.58003 5.172625 95.73071 5.293483 -11.15068      7.401150 
1 1 1 -21 18 5  o 19.86091 6.959482 18.25392       16.70909 7.097300       23.76554 29.16000       23.49718 19.00074 7.854146 24.31384 8.264685 -5.313095      11.40143 
1 1 1 -21 18 6  o 88.30381 3.036138 385.3129       26.20358 386.0090       42.41391 384.8833       33.32388 87.68806 4.961778 87.98928 3.878717 -0.3012161     6.297912 
1 1 1 -21 18 7  o 64.71264 3.140581 207.3297       19.83383 206.1351       33.45581 207.9771       24.62843 63.81644 5.406742 64.61065 3.912611 -0.7942123     6.673933 
1 1 1 -21 18 8  o 62.68148 3.203160 194.6746       19.58762 145.0925       31.37166 226.3535       25.07613 53.18111 6.139185 67.43423 3.814595 -14.25312      7.227775 
1 1 1 -21 18 9  o 78.33516 3.155320 303.7246       24.14442 255.9617       37.53806 337.4272       31.53249 71.10930 5.434277 82.32604 3.924344 -11.21674      6.703122 
1 1 1 -21 18 10 f 68.45666 3.760787 233.2523       25.10319 223.3235       34.51715 244.4000       36.57468 66.41217 5.355209 69.46439 5.422055 -3.052216      7.620823 
1 1 1 -21 18 11 o 35.96197 5.209109 66.26163       17.80304 58.32202       25.54500 73.76000       24.82504 32.84796 8.016592 37.35624 7.047570 -4.508278      10.67399 
1 1 1 -21 18 12 o 45.73778 3.786350 104.5960       16.79951 87.28777       26.74642 115.8735       21.58959 40.72425 6.959557 47.90446 4.663239 -7.180206      8.377423 
1 1 1 -21 18 13 o 24.02244 6.263587 30.50279       14.87742 20.74749       24.01819 36.57593       18.95075 22.04768 8.253711 26.18508 7.180097 -4.137400      10.93972 
1 1 1 -21 18 14 o 17.58208 6.539855 12.73255       15.03127 21.61000       25.30754 7.893945       18.68384 22.49696 8.461747 17.40970 7.052403 5.087263       11.01533 
1 1 1 -21 18 15 o 57.39777 3.748873 164.5086       20.94685 186.3000       37.45491 154.5912       25.26775 59.96497 6.484261 55.31454 4.711623 4.650425       8.015300 
1 1 1 -21 18 16 o 26.48500 6.452860 37.37336       16.57238 48.87000       28.13169 31.26308       20.50884 29.86884 8.932694 24.40967 7.688893 5.459177       11.78610 
1 1 1 -21 18 17 o 55.42778 3.652060 153.4513       19.70357 155.3966       30.98153 152.1302       25.53245 54.93366 5.851771 54.78686 4.809896 0.1468010      7.574848 
1 1 1 -21 18 18 o 19.09128 6.714898 17.13139       15.56514 16.59871       23.62051 17.54023       20.69360 20.82393 8.088932 20.36786 7.653603 0.4560680      11.13591 
1 1 1 -21 18 19 o 64.53272 3.557185 207.7489       22.38254 205.9775       34.62319 209.0207       29.33695 63.36222 5.641451 64.28410 4.694721 -0.9218788     7.339371 
1 1 1 -21 18 20 o 36.37631 5.023005 68.08833       17.40814 62.44704       26.30367 72.48489       23.22113 33.65093 8.086552 36.91389 6.672208 -3.262962      10.48383 
1 1 1 -21 18 21 o 47.47170 4.262861 113.9656       19.59738 98.15360       28.95161 127.3376       26.62420 42.79686 7.164223 49.65678 5.573722 -6.859921      9.077029 
1 1 1 -21 18 22 o 36.61636 5.444683 69.74493       18.92140 78.98999       27.64917 61.60163       25.94943 38.00191 7.697283 33.32494 8.046970 4.676968       11.13561 
1 1 1 -21 18 23 o 22.69895 7.091187 27.36980       17.48025 29.72077       24.91338 25.09014       24.53262 24.12290 8.494427 22.87376 8.381924 1.249140       11.93365 
1 1 1 -21 18 24 o 21.28363 7.125649 23.37430       17.46692 -9.468521      24.62970 56.60542       24.77486 16.03850 7.269457 31.77239 7.978538 -15.73389      10.79361 
1 1 1 -21 18 25 o 42.84633 4.773432 94.50456       19.67982 61.27529       27.53761 129.1911       28.13494 32.71974 8.516824 49.56602 5.915676 -16.84628      10.36974 
1 1 1 -21 18 26 o 23.55365 7.290343 30.37671       18.52311 3.393872       25.84126 58.89214       26.56500 18.32992 7.907983 31.99876 8.382769 -13.66883      11.52419 
1 1 1 -21 18 27 o 100.6503 4.756305 520.0248       46.72621 0.000000       0.000000 520.0248       46.72621 ?        ?        100.6503 4.756305 ?              ?        
1 1 1 -21 18 28 o 14.92871 6.543621 -0.9337143     18.29047 -0.9310682     25.20660 -0.9366568     26.58139 17.26232 7.619831 17.66947 7.811069 -0.4071522     10.91213 
1 1 1 -21 18 29 o 32.36551 6.515508 57.77505       19.92621 59.03516       27.98040 56.47836       28.38375 31.46818 8.761883 30.70811 8.917817 0.7600613      12.50192 
1 1 1 -21 18 30 o 21.58474 7.907490 23.96934       21.83180 48.28163       27.52117 -17.30000      35.85649 28.39732 8.901609 18.04893 8.393303 10.34838       12.23463 
1 1 1 -21 18 31 o 39.49822 6.491624 85.83308       24.22674 94.53773       30.29468 70.39000       40.35127 40.44684 7.935581 32.72273 10.82707 7.724110       13.42382 
1 1 1 -21 18 32 o 25.99951 7.575858 39.20555       20.45321 21.94234       28.36894 57.89242       29.51554 21.92099 8.755898 30.63243 9.147091 -8.711439      12.66235 
1 1 1 -21 18 33 o 11.71661 5.690257 -30.13948      20.53862 -49.64000      30.36079 -13.68558      27.88845 13.56234 6.657168 16.09669 7.456738 -2.534350      9.996041 
1 1 1 -21 18 34 o 17.79515 7.265008 11.09157       20.01089 -5.491756      27.91525 28.62090       28.70042 17.07405 7.738955 23.17935 8.940091 -6.105295      11.82441 
1 1 1 -21 18 35 o 19.76326 7.956398 16.56551       23.61781 28.19190       28.27324 -10.28000      42.96246 22.96327 8.868904 19.96136 9.249840 3.001904       12.81472 
1 1 1 -21 18 36 o 18.87301 7.871302 12.00935       24.17236 5.632000       56.13667 13.46095       26.78249 23.39641 10.74484 19.69617 8.255006 3.700249       13.54979 
1 1 1 -21 18 37 o 18.30503 7.280372 14.39265       19.53058 23.29599       27.63294 5.505454       27.60789 21.63542 8.641658 18.40203 8.053408 3.233383       11.81252 
1 1 1 -21 18 38 o 18.04040 7.242744 13.69730       19.51333 21.97615       27.62477 5.452828       27.56735 21.21544 8.582132 18.26779 8.019559 2.947649       11.74591 
1 1 1 -21 18 39 o 13.71111 6.310043 -8.564983      19.50121 6.357682       27.34049 -24.01970      27.82362 18.30437 8.012400 14.62650 6.978405 3.677872       10.62529 
1 1 1 -21 18 40 o 18.23955 7.340567 14.24363       20.09612 -10.46484      28.69392 38.03127       28.15417 16.32379 7.562537 24.68161 8.989475 -8.357817      11.74745 
1 1 1 -21 18 41 o 32.51600 7.081892 62.43472       21.90020 62.11488       32.88598 62.68959       29.35674 30.05048 9.764989 30.81620 9.102776 -0.7657204     13.34974 
1 1 1 -21 18 42 o 17.98430 7.479461 11.86383       21.73631 6.609179       32.69825 16.02441       29.09574 19.33009 8.597770 20.13938 8.531142 -0.8092861     12.11206 
1 1 1 -21 18 43 o 16.04136 7.312549 -4.878597      25.37008 -23.21478      31.58045 28.49000       42.60228 15.67133 7.465084 23.54967 10.15678 -7.878345      12.60506 
1 1 1 -21 18 44 o 29.23988 8.342237 54.58271       25.04672 94.91000       41.22277 30.98256       31.53516 35.81176 10.83642 23.06898 9.225825 12.74278       14.23179 
1 1 1 -21 18 45 o 18.60854 8.251998 6.420844       29.89480 27.21000       39.08689 -22.88000      46.40372 22.87087 9.794208 18.73338 8.958116 4.137497       13.27307 
1 1 1 -21 18 46 o 19.89037 7.853421 20.45162       22.57154 0.3122471      31.76076 41.00254       32.08363 18.14293 8.235859 24.91746 9.491963 -6.774529      12.56689 
1 1 1 -21 18 47 o 31.18020 7.784519 61.11092       23.68382 52.78453       33.35427 69.57828       33.63544 27.11856 9.797650 31.01013 9.856675 -3.891565      13.89777 
1 1 1 -21 18 48 o 20.21654 7.953744 22.88417       23.07845 57.16709       33.07970 -9.626370      32.21327 27.82199 9.788842 16.81223 7.863546 11.00976       12.55615 
1 1 1 -21 18 49 o 18.02617 7.634226 12.91269       23.29050 -0.6856692     33.11600 26.22215       32.76233 17.86957 8.223456 21.53350 9.083780 -3.663927      12.25318 
1 1 1 -21 19 1  o 44.76107 3.576884 99.89567       15.54124 76.04806       29.43249 109.1153       18.30048 37.54448 8.235908 46.67746 4.045328 -9.132984      9.175775 
1 1 1 -21 19 2  o 35.91131 4.175380 65.01196       14.40352 30.71010       27.12908 78.47642       16.99693 25.17202 8.864091 39.41683 4.485049 -14.24481      9.934172 
1 1 1 -21 19 3  o 33.98270 4.495733 58.57908       14.58775 9.267237       27.46257 77.96193       17.21767 20.47791 8.451747 39.26285 4.565113 -18.78494      9.605846 
1 1 1 -21 19 4  o 44.11737 3.860699 97.36807       16.50394 77.69000       34.34071 103.2782       18.81985 37.54359 9.373962 45.33323 4.292371 -7.789639      10.30998 
1 1 1 -21 19 5  o 23.09733 6.118179 28.04570       14.05021 -26.59347      26.52145 49.36324       16.56585 14.86904 7.011113 30.81390 5.702353 -15.94486      9.037286 
1 1 1 -21 19 6  o 26.13178 8.806795 34.73104       26.67800 34.73104       26.67800 0.000000       0.000000 26.13178 8.806795 ?        ?        ?              ?        
1 1 1 -21 19 7  o 80.88037 3.075336 323.7097       24.30245 319.2438       39.61649 326.4043       30.77275 79.55524 5.114555 80.94987 3.895115 -1.394630      6.428887 
1 1 1 -21 19 8  o 44.76268 4.508788 101.0820       19.48635 65.94015       28.92097 130.3000       26.37094 34.75684 8.558645 50.57045 5.411523 -15.81361      10.12596 
1 1 1 -21 19 9  o 70.38602 3.780386 246.8242       25.94970 218.2540       35.32839 280.3000       38.24129 65.49770 5.563092 74.41056 5.284784 -8.912865      7.673131 
1 1 1 -21 19 10 o 44.05093 4.680926 98.22837       19.87469 79.99177       28.75910 114.9000       27.49745 38.55213 7.887258 47.17083 6.097965 -8.618698      9.969655 
1 1 1 -21 19 11 o 58.04239 3.406941 167.5562       19.27091 129.5620       31.58611 190.0846       24.32215 49.87630 6.634250 61.63487 4.054034 -11.75856      7.774861 
1 1 1 -21 19 12 o 33.48251 4.894578 57.44827       15.56738 47.12822       26.72413 62.74883       19.15242 29.41849 8.683773 34.71540 5.843655 -5.296911      10.46691 
1 1 1 -21 19 13 o 59.98213 3.644274 179.4570       21.29537 179.2000       38.38617 179.5713       25.59521 58.60254 6.819172 59.74366 4.407879 -1.141121      8.119761 
1 1 1 -21 19 14 o 19.16800 6.689095 17.37331       15.42636 12.03000       26.88533 19.99591       18.83544 20.70245 8.432609 20.69329 7.376351 0.9157181E-02  11.20355 
1 1 1 -21 19 15 o 77.35040 3.271690 297.2220       24.71491 297.5927       39.17329 296.9769       31.85511 76.51044 5.262798 76.93082 4.246790 -0.4203796     6.762564 
1 1 1 -21 19 16 o 24.05969 6.567350 30.87227       15.89592 2.682423       25.08042 49.79902       20.55069 18.35740 7.853069 30.40093 7.044211 -12.04353      10.54948 
1 1 1 -21 19 17 o 27.04678 6.248474 38.99006       16.20951 42.64679       25.61966 36.54911       20.93175 27.97190 8.558860 26.03635 7.685236 1.935541       11.50291 
1 1 1 -21 19 18 o 89.77391 3.299721 400.7456       28.94637 373.8081       44.20814 420.9618       38.29776 85.64159 5.299613 91.52242 4.286947 -5.880836      6.816437 
1 1 1 -21 19 19 o 29.29342 6.340706 45.87864       17.65259 68.79453       27.63433 30.08165       22.94393 35.25462 8.168292 24.11142 8.167130 11.14321       11.55089 
1 1 1 -21 19 20 o 21.16851 7.024580 22.87848       16.98200 31.69644       25.97518 16.29589       22.44258 24.83862 8.679100 20.34247 7.889436 4.496147       11.72902 
1 1 1 -21 19 21 o 36.14388 5.444080 68.06347       18.66317 44.71618       27.57545 87.79742       25.35195 28.36680 8.912987 40.61757 6.603224 -12.25076      11.09252 
1 1 1 -21 19 22 o 11.83941 5.577974 -16.49325      16.72483 -9.421850      24.03228 -23.13465      23.29014 15.85921 7.185226 13.80541 6.527842 2.053801       9.707739 
1 1 1 -21 19 23 o 43.33710 4.773657 96.53462       19.91461 52.86647       28.32821 139.2017       28.00164 30.35831 8.935175 51.68285 5.625860 -21.32454      10.55877 
1 1 1 -21 19 24 o 24.18795 7.105509 32.11213       17.92892 24.44686       25.84678 39.22091       24.89087 22.68727 8.547509 26.46973 8.486300 -3.782465      12.04480 
1 1 1 -21 19 25 o 22.78643 7.360487 28.12432       18.70090 -7.924172      27.12314 60.78996       25.81915 16.94138 7.658534 32.59716 8.121911 -15.65579      11.16327 
1 1 1 -21 19 26 o 37.61192 5.621073 75.14027       20.06041 39.87707       28.22919 111.1144       28.51233 26.45767 9.057331 45.23397 6.636944 -18.77630      11.22873 
1 1 1 -21 19 27 f 17.53155 7.046006 10.64439       18.48862 20.11523       25.79148 0.6329705      26.51733 21.37269 8.408369 17.87836 7.856428 3.494331       11.50757 
1 1 1 -21 19 28 o 62.02391 3.984230 195.9601       24.06062 200.4610       34.10835 191.5019       33.94593 61.47711 5.734286 59.98046 5.856436 1.496651       8.196334 
1 1 1 -21 19 29 o 25.98017 7.989252 39.12798       22.28806 51.84162       27.39187 14.22000       38.34035 29.36219 8.822156 22.42228 9.652627 6.939911       13.07684 
1 1 1 -21 19 30 o 30.54768 7.573197 54.00992       22.53109 60.73636       28.15886 42.04000       37.56367 31.67393 8.778741 26.87113 10.26230 4.802803       13.50485 
1 1 1 -21 19 31 o 23.56074 7.604447 31.61769       19.96368 39.40141       27.80466 23.33527       28.68156 25.84092 8.982702 22.23389 8.829219 3.607035       12.59540 
1 1 1 -21 19 32 o 24.70184 7.967059 35.49954       21.91550 54.86000       32.84418 19.96174       29.42357 29.44678 9.769032 21.62350 8.816464 7.823277       13.15918 
1 1 1 -21 19 33 o 14.09833 6.434072 -7.738319      19.71197 -7.346591      27.27540 -8.166615      28.52010 16.63628 7.583139 16.88356 7.718116 -0.2472839     10.82004 
1 1 1 -21 19 34 o 16.79787 7.134223 6.170936       20.43719 -5.662747      28.43927 18.80838       29.38923 17.14038 7.785707 21.21529 8.748353 -4.074919      11.71114 
1 1 1 -21 19 35 o 31.05731 7.055839 55.83521       20.95997 89.96733       31.20128 27.76531       28.29510 38.40440 8.522802 22.77328 8.851256 15.63112       12.28751 
1 1 1 -21 19 36 f 24.58891 7.611251 35.99156       20.18935 34.24946       29.05205 37.61868       28.07701 24.11035 9.066682 24.86528 8.988448 -0.7549305     12.76702 
1 1 1 -21 19 37 o 26.53536 7.460485 42.34423       20.18125 12.49694       28.63119 71.81673       28.45085 19.62749 8.393345 33.77275 8.588266 -14.14526      12.00860 
1 1 1 -21 19 38 o 30.29018 7.105762 54.24520       20.70191 48.52901       29.45662 59.82400       29.10048 27.20678 9.253500 30.20581 9.097072 -2.999033      12.97628 
1 1 1 -21 19 39 o 19.53694 7.499252 19.51517       20.12712 25.47666       28.81980 13.83921       28.12116 21.93306 8.803244 19.66552 8.360991 2.267538       12.14098 
1 1 1 -21 19 40 o 17.27979 7.184185 10.24456       20.04488 36.67376       29.24785 -13.16429      27.52594 24.30172 9.105893 15.65199 7.303792 8.649730       11.67316 
1 1 1 -21 19 41 o 16.79737 7.116612 7.872279       20.25258 18.03029       29.65463 -1.007109      27.72553 20.56542 8.656955 17.20966 7.764878 3.355764       11.62911 
1 1 1 -21 19 42 o 24.01386 8.561716 36.01644       25.37671 63.61501       31.65727 -13.60000      42.44661 30.47198 9.546408 18.90236 8.899601 11.56962       13.05131 
1 1 1 -21 19 43 o 33.28130 7.074272 65.67874       22.33487 68.64682       31.93827 62.83799       31.24567 31.67011 9.528585 30.31025 9.482447 1.359867       13.44287 
1 1 1 -21 19 44 o 25.40642 8.415292 41.50840       24.37474 60.73000       38.74908 28.92238       31.35530 28.61067 10.52587 22.52012 9.131147 6.090549       13.93455 
1 1 1 -21 19 45 f 42.29639 6.790495 104.2637       27.16209 188.2000       44.75516 55.31953       34.17582 54.47197 8.685351 27.88246 9.936357 26.58951       13.19722 
1 1 1 -21 19 46 o 23.16992 8.709249 33.95919       26.80025 28.67740       31.91556 46.59000       49.35460 22.30095 9.147847 25.61904 10.98907 -3.318087      14.29835 
1 1 1 -21 19 47 o 27.09699 8.164940 48.13351       23.43813 53.14318       33.05672 43.06902       33.23704 26.98256 9.753130 24.84379 9.610387 2.138777       13.69245 
1 1 1 -21 19 48 f 23.63302 8.269444 37.01974       23.58598 28.84573       33.31745 45.23131       33.39391 21.94429 9.202878 24.94063 9.637025 -2.996342      13.32536 
1 1 1 -21 20 1  o 45.87148 3.578335 105.0029       15.93979 79.73221       30.41566 114.5713       18.71574 38.31482 8.346753 47.80604 4.037319 -9.491226      9.271906 
1 1 1 -21 20 2  o 53.59394 3.423897 142.9032       17.86757 93.42713       31.68622 165.9698       21.63538 41.67469 8.059208 57.65207 3.856095 -15.97738      8.934220 
1 1 1 -21 20 3  o 61.09000 3.229494 185.2013       19.24267 158.2132       33.91453 198.0145       23.36831 55.33920 6.377547 63.00731 3.806808 -7.668110      7.427307 
1 1 1 -21 20 4  o 28.48759 6.924255 43.34096       19.11682 40.72145       27.89724 45.66000       26.24856 27.75565 8.991929 29.05688 8.613648 -1.301231      12.45190 
1 1 1 -21 20 5  o 98.16984 3.177603 477.3475       30.49379 412.9572       47.36776 522.9200       39.84961 90.29364 5.383888 102.4093 3.982973 -12.11565      6.697038 
1 1 1 -21 20 6  o 36.53471 4.753781 67.98264       16.59733 34.10000       33.53594 78.97396       19.10059 26.73879 9.799729 39.31730 5.081896 -12.57851      11.03904 
1 1 1 -21 20 7  o 20.36880 8.343688 10.58694       26.50440 10.58694       26.50440 0.000000       0.000000 20.36880 8.343688 ?        ?        ?              ?        
1 1 1 -21 20 8  o 73.50644 3.796046 269.4844       27.22008 262.9680       38.20861 276.2000       38.78794 71.89224 5.470743 73.71667 5.413322 -1.824425      7.696303 
1 1 1 -21 20 9  o 16.46203 6.293238 10.11511       14.13541 -13.29664      24.78716 21.39821       17.20775 15.78146 7.207076 20.85544 7.072824 -5.073981      10.09786 
1 1 1 -21 20 10 o 17.61944 6.382089 13.66542       14.16407 22.29949       25.99953 10.02147       16.89058 22.74098 8.571642 17.33112 6.808687 5.409863       10.94675 
1 1 1 -21 20 11 o 43.46608 4.069803 95.08356       17.11395 65.71625       29.47552 110.0185       21.01991 34.45418 8.730728 46.58759 4.672514 -12.13341      9.902424 
1 1 1 -21 20 12 o 81.12541 3.434802 327.3706       27.21328 309.3000       49.78694 335.0697       32.49746 77.16535 6.656550 81.81081 4.070981 -4.645454      7.802727 
1 1 1 -21 20 13 o 38.37294 4.827333 75.24450       17.73139 42.51000       31.60126 90.28577       21.42119 28.25568 9.584776 41.89762 5.344866 -13.64193      10.97431 
1 1 1 -21 20 14 o 59.22089 3.592976 175.1040       20.72942 142.3468       33.22424 195.9840       26.52570 52.11190 6.665888 62.37540 4.372267 -10.26350      7.971874 
1 1 1 -21 20 15 o 99.47880 3.280939 491.6993       31.90365 471.1843       49.61975 506.1571       41.65525 96.23482 5.287964 100.4269 4.247123 -4.192131      6.782376 
1 1 1 -21 20 16 o 47.24767 4.100748 112.5343       18.77724 107.1535       29.79363 116.0801       24.18507 44.88478 7.010486 47.54557 5.285993 -2.660797      8.780013 
1 1 1 -21 20 17 o 84.92094 3.286855 358.8704       27.26973 363.3806       42.51514 355.7178       35.54464 84.43948 5.168656 84.03609 4.335837 0.4033890      6.746443 
1 1 1 -21 20 18 o 15.23857 6.405848 3.162008       16.20231 -5.141166      25.52845 8.762682       20.96633 17.09441 7.600514 18.18177 7.431258 -1.087360      10.62974 
1 1 1 -21 20 19 o 28.90592 6.413238 44.91762       17.67089 41.38786       27.32262 47.45570       23.16879 27.46321 8.898973 29.26820 7.903436 -1.804996      11.90193 
1 1 1 -21 20 20 o 38.08438 5.119716 75.07947       18.60231 79.97900       28.43083 71.41174       24.59861 38.02328 7.897404 36.22219 7.191658 1.801086       10.68124 
1 1 1 -21 20 21 o 44.12408 4.582352 99.62722       19.50325 108.3422       30.05377 93.28709       25.63399 44.76033 7.096048 41.80711 6.473151 2.953224       9.604977 
1 1 1 -21 20 22 o 16.39665 6.776692 6.240286       17.68870 11.07397       25.90865 2.020008       24.20897 19.83849 8.200554 17.67075 7.638979 2.167736       11.20728 
1 1 1 -21 20 23 o 29.35855 6.604410 47.24670       18.51822 64.05877       27.15709 32.63567       25.31705 33.41107 8.332555 24.60982 8.570449 8.801250       11.95341 
1 1 1 -21 20 24 o 20.92365 7.228382 22.65431       17.99233 31.48819       26.13511 14.69556       24.80682 24.27917 8.685084 20.14879 8.139100 4.130384       11.90276 
1 1 1 -21 20 25 o 60.82678 4.785772 191.2001       28.26463 234.9000       63.96741 180.5983       31.50723 61.16599 11.09258 58.57149 5.562307 2.594498       12.40905 
1 1 1 -21 20 26 o 59.50837 3.993431 180.3713       23.12645 163.7149       33.03799 196.3742       32.38333 55.17797 6.225613 61.08171 5.474304 -5.903748      8.290130 
1 1 1 -21 20 27 o 30.25965 6.910552 51.46955       20.01773 58.20218       27.97749 44.40773       28.65330 31.14988 8.793301 27.36441 9.125816 3.785467       12.67291 
1 1 1 -21 20 28 o 40.49129 6.459660 89.99397       24.74253 92.12682       30.31721 85.74000       42.81600 39.83886 8.051851 35.83804 11.08247 4.000828       13.69866 
1 1 1 -21 20 29 o 32.61952 6.756325 59.69039       20.86194 45.60163       29.04934 74.69547       29.97911 27.46699 9.189236 35.18176 8.743649 -7.714769      12.68438 
1 1 1 -21 20 30 o 21.65052 7.595855 25.43225       19.90852 61.26921       29.22597 -5.593698      27.19355 31.54070 9.015511 16.94628 7.663867 14.59442       11.83276 
1 1 1 -21 20 31 f 15.24007 6.791544 -2.690986      20.50301 -2.694000      30.88651 -2.688612      27.41430 18.28707 8.228137 17.37356 7.789728 0.9135056      11.33058 
1 1 1 -21 20 32 o 11.39868 5.536132 -28.47888      19.44770 -69.17710      26.71220 17.42416       28.36891 11.13942 5.591959 20.82736 8.592443 -9.687936      10.25183 
1 1 1 -21 20 33 o 15.89040 7.272771 -8.409011      25.42355 -112.5000      54.32949 20.77543       28.76767 16.08407 8.060094 21.46796 8.730865 -5.383884      11.88247 
1 1 1 -21 20 34 o 38.62482 5.935938 82.01147       21.72494 69.85154       30.86489 93.95143       30.58444 33.08711 9.198624 39.57367 8.166610 -6.486561      12.30074 
1 1 1 -21 20 35 o 33.12850 6.712533 62.83183       21.02016 68.04302       30.00581 57.80992       29.45582 32.58250 9.073954 29.91649 9.181712 2.666018       12.90893 
1 1 1 -21 20 36 f 41.39926 5.337833 92.94686       21.12749 102.8951       30.34802 83.59094       29.43066 41.50647 7.754873 36.73565 8.371843 4.770817       11.41165 
1 1 1 -21 20 37 o 43.48399 5.135460 101.9256       21.43700 144.0700       30.73730 62.01265       29.91253 50.63146 6.340761 30.63622 9.222330 19.99524       11.19181 
1 1 1 -21 20 38 o 45.50778 5.014250 111.2530       21.96584 100.9442       31.13556 121.4682       30.99368 40.59286 8.119925 45.59206 7.182493 -4.999199      10.84073 
1 1 1 -21 20 39 o 43.36799 5.259799 101.9877       21.87190 120.7059       31.49870 84.55940       30.39395 45.27158 7.360848 36.53715 8.636000 8.734425       11.34736 
1 1 1 -21 20 40 o 11.60163 5.611783 -25.03864      19.46374 -9.254333      27.97297 -39.85268      27.09958 16.19010 7.488803 12.96656 6.349150 3.223541       9.818038 
1 1 1 -21 20 41 o 16.87840 7.397619 4.264547       23.37189 2.244040       29.57831 7.623000       38.13403 18.03059 8.087282 20.30252 9.138167 -2.271927      12.20288 
1 1 1 -21 20 42 o 20.93055 7.771387 24.86056       21.20749 22.45600       30.26354 27.18069       29.72748 21.32503 8.843400 22.15526 8.923925 -0.8302231     12.56353 
1 1 1 -21 20 43 o 44.60191 6.210121 112.8093       26.37762 178.2000       44.42946 77.21429       32.77990 52.69966 8.931692 33.50415 9.538568 19.19551       13.06749 
1 1 1 -21 20 44 o 24.28075 8.018535 37.12822       22.13551 63.25174       31.77817 12.50671       30.85108 30.05749 9.583738 19.62634 8.552690 10.43115       12.84510 
1 1 1 -21 20 45 o 29.32152 7.917835 54.62777       23.25329 36.53086       32.52696 73.54427       33.25536 23.80799 9.418999 32.13095 9.735230 -8.322960      13.54593 
1 1 1 -21 20 46 o 22.77569 8.498735 32.96992       25.42382 65.90000       40.73411 11.95591       32.53991 28.74949 10.75157 19.55050 8.642473 9.198984       13.79452 
1 1 1 -21 20 47 o 15.63366 7.248940 -7.232193      26.44759 1.149479       31.35071 -27.92000      49.25375 17.74717 8.104980 18.28750 8.865132 -0.5403233     12.01171 
1 1 1 -21 20 48 o 28.28028 8.769691 56.22511       26.78888 64.34541       33.56682 41.98000       44.45872 28.85143 9.876575 24.00212 10.36394 4.849308       14.31635 
1 1 1 -21 21 1  o 54.81562 3.426601 149.6513       18.29348 148.5472       34.74940 150.0746       21.51638 53.29048 6.817749 54.70781 4.046682 -1.417328      7.928261 
1 1 1 -21 21 2  o 13.65620 6.180412 -8.355885      17.72301 -19.45161      27.97388 -0.9157000     22.90692 16.13620 7.472636 17.02870 7.395765 -0.8925037     10.51369 
1 1 1 -21 21 3  o 81.28497 3.119638 327.5676       24.77501 281.3913       40.36168 355.4845       31.38293 74.27213 5.592935 84.42094 3.807644 -10.14882      6.766023 
1 1 1 -21 21 4  o 68.73492 3.256661 234.6553       21.84839 186.3234       37.50620 259.4802       26.88003 59.91177 6.499655 72.09122 3.822932 -12.17945      7.540579 
1 1 1 -21 21 5  o 58.52074 4.125302 171.8303       23.47902 119.7774       34.01514 219.2000       32.44891 47.38755 7.589375 65.73228 5.082763 -18.34473      9.134172 
1 1 1 -21 21 6  o 80.57787 3.806990 324.0280       29.94153 310.0961       41.73741 338.8000       42.97723 78.00870 5.501366 81.60605 5.410900 -3.597351      7.716402 
1 1 1 -21 21 7  o 37.87460 5.453955 74.06582       19.63718 62.60232       31.01043 81.74000       25.37262 33.48508 9.186040 39.27858 6.848235 -5.793499      11.45782 
1 1 1 -21 21 8  o 45.16695 4.249036 102.9218       18.56460 100.5000       37.47372 103.7095       21.37146 42.42784 9.282116 45.11562 4.919092 -2.687782      10.50501 
1 1 1 -21 21 9  o 61.68474 4.037333 190.8257       24.24292 180.2104       34.65425 201.0000       33.92665 59.04467 6.083064 62.63697 5.592312 -3.592300      8.263027 
1 1 1 -21 21 10 o 65.52731 3.583940 214.2151       22.89985 196.3000       43.16822 221.2308       27.01417 60.88067 7.395504 66.37036 4.179477 -5.489693      8.494793 
1 1 1 -21 21 11 o 80.57193 3.457396 323.2189       27.20366 361.7000       52.47850 309.0789       31.81149 83.51601 6.469987 78.49016 4.155399 5.025848       7.689478 
1 1 1 -21 21 12 o 12.49265 5.626797 -6.199539      14.48647 -3.109776      26.34591 -7.538541      17.34368 17.75970 7.816689 13.59011 6.135680 4.169595       9.937162 
1 1 1 -21 21 13 o 54.10946 3.754066 146.6841       19.75969 155.9216       33.35796 141.6906       24.52553 54.66441 6.352493 52.79231 4.798526 1.872101       7.961157 
1 1 1 -21 21 14 o 35.27408 5.212862 64.39448       17.45713 45.86792       28.93599 74.99650       21.88946 28.82491 9.139833 37.75644 6.133231 -8.931522      11.00696 
1 1 1 -21 21 15 o 34.32516 5.314835 61.23476       17.28033 78.37101       28.96537 51.76544       21.53180 37.67820 8.095252 30.80954 7.259758 6.868656       10.87369 
1 1 1 -21 21 16 o 50.15905 3.954698 126.7117       19.25944 125.3606       31.01903 127.5593       24.56885 48.65977 6.689406 49.86747 5.105384 -1.207699      8.415052 
1 1 1 -21 21 17 o 51.56972 4.070405 134.2001       20.38005 95.90830       31.89593 160.6192       26.49359 41.68835 8.108536 56.09358 4.873591 -14.40523      9.460457 
1 1 1 -21 21 18 o 50.06790 4.167435 126.8822       20.23869 134.8198       31.94085 121.5577       26.16048 50.40337 6.635100 48.35063 5.632986 2.052742       8.703739 
1 1 1 -21 21 19 o 20.60389 7.088733 21.39834       17.29757 10.49121       26.30265 29.71031       22.96129 19.89443 8.246758 23.78777 8.167833 -3.893339      11.60700 
1 1 1 -21 21 20 o 46.55061 4.472564 110.7377       20.12877 105.0548       31.33847 114.7287       26.26229 43.67518 7.606821 46.69985 5.874991 -3.024670      9.611412 
1 1 1 -21 21 21 o 52.52488 4.133400 140.1684       21.07985 133.8938       32.39589 144.7760       27.76078 49.81413 6.823141 52.68389 5.462462 -2.869762      8.740351 
1 1 1 -21 21 22 o 27.65959 6.835714 42.41253       18.39922 38.58385       27.39312 45.55959       24.83537 26.21375 8.923374 28.15593 8.386513 -1.942184      12.24582 
1 1 1 -21 21 23 o 31.18061 6.476512 53.37346       19.11978 34.79949       27.82640 69.98543       26.31571 25.14640 8.965447 35.01106 7.870835 -9.864658      11.93018 
1 1 1 -21 21 24 o 72.42034 3.645010 265.0368       25.75532 258.2380       37.39034 271.1752       35.52802 70.10399 5.492749 72.21996 5.057802 -2.115967      7.466703 
1 1 1 -21 21 25 o 14.90608 6.547577 -1.079253      18.40051 9.003839       26.15657 -10.95786      25.88999 19.16404 8.102006 15.96566 7.319166 3.198385       10.91846 
1 1 1 -21 21 26 o 79.43053 3.673232 319.5123       28.48161 286.1891       40.10147 353.4326       40.45907 73.54021 5.613368 82.34614 5.043766 -8.805923      7.546488 
1 1 1 -21 21 27 o 31.05114 7.794742 56.29705       23.65242 46.31661       28.92213 76.45000       41.09838 27.66838 9.166806 33.88807 10.90848 -6.219687      14.24869 
1 1 1 -21 21 28 o 41.41141 5.482957 91.63041       21.67938 66.12797       30.01517 119.4457       31.34671 32.78416 9.054679 46.08170 7.183723 -13.29754      11.55825 
1 1 1 -21 21 29 o 29.41056 7.207796 49.79702       20.58529 30.54860       28.97620 69.41055       29.24971 23.75033 9.026941 33.73438 8.775932 -9.984047      12.58978 
1 1 1 -21 21 30 o 15.67885 6.912751 -0.4420835     20.68807 6.954000       31.79750 -5.870964      27.24252 19.82773 8.660881 16.85867 7.642845 2.969053       11.55093 
1 1 1 -21 21 31 o 56.79842 5.133624 170.9291       28.23302 175.4872       34.90210 162.3000       48.02199 56.36695 6.441394 50.30431 10.10396 6.062641       11.98255 
1 1 1 -21 21 32 o 50.68270 5.843594 139.6792       28.45974 124.8000       61.33057 143.7624       32.12831 38.98144 13.35009 50.73009 6.628573 -11.74865      14.90513 
1 1 1 -21 21 33 o 48.11336 4.866562 122.4226       22.60415 146.4299       32.17399 99.02316       31.76413 51.17507 6.574755 40.51416 8.289468 10.66092       10.58030 
1 1 1 -21 21 34 o 26.16529 7.499159 40.94284       20.19518 58.62679       28.38878 22.82499       28.73495 30.26362 8.954517 21.63125 8.751965 8.632366       12.52119 
1 1 1 -21 21 35 o 13.85425 6.288992 -5.400706      18.51929 -21.99136      26.19016 11.19015       26.19032 14.34145 6.822143 18.89209 8.051744 -4.550642      10.55330 
1 1 1 -21 21 36 o 20.60617 7.451693 23.70539       19.29939 35.54918       27.70722 12.54356       26.89771 24.06453 8.892391 19.22188 8.174904 4.842649       12.07906 
1 1 1 -21 21 37 f 37.12368 5.894164 76.88617       20.70306 110.9836       29.93907 45.64018       28.65989 43.40533 7.305964 26.42324 9.123181 16.98209       11.68801 
1 1 1 -21 21 38 o 15.20616 6.691000 1.064080       19.29219 14.01356       27.30736 -11.83984      27.25928 19.51653 8.265939 15.72491 7.314481 3.791623       11.03754 
1 1 1 -21 21 39 o 11.52954 5.584189 -25.54989      19.43251 -65.52303      27.64867 13.47217       27.31776 11.46883 5.747664 19.34097 8.232475 -7.872144      10.04038 
1 1 1 -21 21 40 o 24.79572 8.291327 38.83680       23.65010 48.29544       29.86151 22.92000       38.73695 26.80392 9.309508 22.32847 9.657733 4.475449       13.41413 
1 1 1 -21 21 41 o 21.67865 7.702386 27.74502       20.52158 9.306499       29.21110 45.71345       28.83633 18.94800 8.288342 26.22194 9.145806 -7.273947      12.34271 
1 1 1 -21 21 42 o 15.10669 6.880088 -4.821028      22.39195 14.11000       34.35191 -18.80754      29.52695 20.46057 8.968055 15.46708 7.324404 4.993484       11.57899 
1 1 1 -21 21 43 o 37.41232 6.359494 80.51152       22.45591 84.27673       31.43243 76.58646       32.09277 35.61597 9.010845 33.38401 9.415707 2.231956       13.03268 
1 1 1 -21 21 44 o 15.06036 6.753888 -1.169607      20.61924 -9.385312      28.35991 8.043381       30.03189 16.08713 7.475394 18.73249 8.290751 -2.645357      11.16325 
1 1 1 -21 21 45 o 14.88741 6.752715 -3.093612      21.30027 -16.25916      29.06567 12.17884       31.30511 15.42425 7.293052 19.40790 8.532153 -3.983654      11.22436 
1 1 1 -21 21 46 o 22.40872 8.070741 32.09970       22.61115 56.30081       31.25808 5.536632       32.74793 27.69868 9.529235 18.56050 8.400452 9.138186       12.70330 
1 1 1 -21 21 47 o 19.84231 8.068152 21.46282       24.56056 -13.99000      37.23912 48.75706       32.67455 17.22407 8.176564 25.63111 9.620264 -8.407034      12.62560 
1 1 1 -21 22 1  o 47.12167 3.795357 111.3591       17.35774 85.29373       33.78470 120.7070       20.23223 39.08628 9.014540 48.91950 4.267971 -9.833221      9.973841 
1 1 1 -21 22 2  o 54.03226 3.504534 145.7225       18.43489 119.9040       34.36605 156.1534       21.84367 47.25702 7.693896 55.76913 4.028679 -8.512104      8.684832 
1 1 1 -21 22 3  o 49.70757 4.156266 124.4206       20.03743 238.1000       61.59404 110.9661       21.19004 65.23533 9.961390 46.74139 4.695043 18.49394       11.01239 
1 1 1 -21 22 4  o 60.44067 4.898385 185.4203       28.73119 157.7000       62.32813 192.9000       32.37618 50.93044 12.57808 61.40170 5.443238 -10.47126      13.70536 
1 1 1 -21 22 5  o 64.99080 4.035331 211.8506       25.54404 181.9332       37.29008 238.3000       35.06221 59.03843 6.563684 68.36909 5.280188 -9.330662      8.423914 
1 1 1 -21 22 6  o 40.42905 5.061340 83.81299       19.59160 69.63391       31.31735 92.93000       25.11236 35.23509 9.037431 42.11394 6.283939 -6.878849      11.00741 
1 1 1 -21 22 7  o 21.92120 6.600985 25.26061       15.32282 0.8778486      28.86353 34.82882       18.08103 19.18062 8.316275 25.44052 7.028213 -6.259901      10.88835 
1 1 1 -21 22 8  o 36.77716 4.783343 69.23917       16.81172 65.27482       30.37925 70.98916       20.18410 34.10651 8.978600 36.89077 5.779290 -2.784260      10.67780 
1 1 1 -21 22 9  o 27.49376 6.255106 40.35096       16.45295 36.50000       33.95074 41.53294       18.80919 26.99596 9.865558 27.72073 6.946701 -0.7247715     12.06590 
1 1 1 -21 22 10 o 47.72961 4.230127 115.0773       19.55833 97.98000       38.09112 121.1987       22.79226 41.50539 9.571398 48.76337 4.838919 -7.257973      10.72505 
1 1 1 -21 22 11 o 53.11610 4.486755 142.9403       23.10935 174.2343       34.43606 117.3000       31.17052 57.84512 6.177419 46.94902 6.996150 10.89610       9.333093 
1 1 1 -21 22 12 o 16.08706 6.423113 7.853022       15.26020 -3.602248      27.03030 13.21226       18.48841 17.82634 7.878752 18.55362 7.170240 -0.7272797     10.65303 
1 1 1 -21 22 13 o 23.43551 6.682003 29.47663       16.07438 40.78151       28.23482 24.05548       19.55230 27.36603 9.056884 21.87735 7.536209 5.488676       11.78226 
1 1 1 -21 22 14 o 34.07888 5.402565 60.59758       17.42107 61.63981       29.15771 60.01898       21.72513 32.97773 8.849404 33.31927 6.888997 -0.3415489     11.21473 
1 1 1 -21 22 15 o 58.33536 3.721945 170.7929       21.14155 165.2403       34.57434 174.1089       26.71888 56.03741 6.419041 58.47164 4.708158 -2.434227      7.960580 
1 1 1 -21 22 16 o 18.25357 6.879012 14.08007       16.74352 12.44200       26.83934 15.12376       21.42348 20.45183 8.389054 19.70466 7.689532 0.7471714      11.38003 
1 1 1 -21 22 17 o 29.96790 6.423577 48.60329       18.27629 54.80168       29.77178 44.85484       23.15214 30.81215 9.183341 28.27403 8.005206 2.538116       12.18266 
1 1 1 -21 22 18 o 25.83147 6.898760 36.70724       17.77233 26.01309       27.66751 44.21958       23.18912 23.36286 8.834262 28.01128 8.038237 -4.648426      11.94393 
1 1 1 -21 22 19 o 14.55199 6.348423 -0.8651955     17.03815 -5.392553      26.54315 2.307569       22.22025 17.15596 7.680611 17.04050 7.342216 0.1154594      10.62544 
1 1 1 -21 22 20 o 48.76064 4.446987 121.8631       20.99136 129.6166       32.75674 116.4603       27.34367 48.71559 7.076339 46.74445 6.123215 1.971142       9.357796 
1 1 1 -21 22 21 o 32.93832 6.090912 58.69452       18.91452 48.59560       29.12095 66.06387       24.87614 28.71460 9.176347 34.14423 7.634988 -5.429626      11.93727 
1 1 1 -21 22 22 o 45.75815 4.701277 108.5542       20.75752 90.78687       30.76982 123.3930       28.11995 39.64953 8.199190 47.91887 6.135775 -8.269337      10.24082 
1 1 1 -21 22 23 f 26.98020 7.269146 41.42575       19.62593 22.92479       28.15153 58.92044       27.37525 22.29891 8.781022 31.46611 8.630320 -9.167198      12.31214 
1 1 1 -21 22 24 o 51.27702 4.554780 135.9966       22.62345 110.7481       31.39318 163.2763       32.63151 44.27751 7.511639 55.04977 6.161427 -10.77225      9.715343 
1 1 1 -21 22 25 o 32.63839 7.607588 61.50472       23.85331 68.11205       29.61866 49.31000       40.23818 33.51333 8.885790 28.38362 10.67106 5.129705       13.88628 
1 1 1 -21 22 26 o 57.17420 4.925714 170.9613       27.29762 154.4695       33.65043 202.7000       46.68232 52.99349 6.632090 59.06008 8.304218 -6.066593      10.62754 
1 1 1 -21 22 27 o 43.53699 5.258445 100.6836       21.95556 56.55515       30.40339 148.7755       31.73939 30.08516 9.344770 52.14686 6.348890 -22.06170      11.29748 
1 1 1 -21 22 28 o 78.43591 5.226099 324.4714       39.89462 0.000000       0.000000 324.4714       39.89462 ?        ?        78.43591 5.226099 ?              ?        
1 1 1 -21 22 29 o 27.96555 7.738451 46.27045       21.90007 53.60000       33.09538 40.56085       29.21000 28.96405 9.808889 25.94454 9.192200 3.019512       13.44287 
1 1 1 -21 22 30 o 31.89643 7.952522 60.91573       24.74160 61.47627       30.37225 59.81000       42.65745 31.06073 9.279821 29.64016 11.01862 1.420578       14.40573 
1 1 1 -21 22 31 o 36.61915 6.189097 74.52798       21.39439 33.40691       30.09491 116.5428       30.42020 24.10351 9.190386 45.15352 7.118277 -21.05001      11.62467 
1 1 1 -21 22 32 o 9.032068 4.547591 -52.59724      18.36028 -52.17186      25.22225 -53.07673      26.77827 11.60497 5.763640 12.06505 5.982929 -0.4600868     8.307526 
1 1 1 -21 22 33 o 45.05485 5.086083 108.6938       22.03850 159.9597       32.06702 62.80427       30.33901 53.66741 6.219388 31.00769 9.277285 22.65972       11.16910 
1 1 1 -21 22 34 o 12.75337 5.932366 -10.97412      17.93216 30.29970       25.01674 -54.59284      25.71757 22.74426 8.441328 11.53905 5.745602 11.20520       10.21117 
1 1 1 -21 22 35 o 28.28714 6.951547 47.28874       19.10814 25.87342       26.59611 70.13635       27.47111 21.77140 8.546578 33.35430 8.415835 -11.58290      11.99459 
1 1 1 -21 22 36 o 16.57824 6.871748 9.213918       18.26146 0.6630689E-01  25.33880 19.09989       26.34159 16.76583 7.505268 20.28584 8.314806 -3.520010      11.20112 
1 1 1 -21 22 37 o 14.32279 6.391050 -1.744448      18.21756 14.88608       25.14589 -20.11549      26.42901 19.27094 8.032052 14.54638 6.900443 4.724551       10.58914 
1 1 1 -21 22 38 o 32.57553 6.872731 62.40894       21.22407 79.22972       30.26441 46.13065       29.77238 34.90591 8.847660 26.31266 9.284157 8.593254       12.82485 
1 1 1 -21 22 39 o 17.58885 7.483892 9.426918       22.56095 28.32926       27.89524 -26.32000      38.36115 22.21456 8.743052 16.95235 8.116799 5.262207       11.92994 
1 1 1 -21 22 40 o 23.97249 7.667805 35.39411       20.32981 56.99560       28.93953 14.34737       28.56552 29.08043 9.129874 19.62439 8.387654 9.456041       12.39788 
1 1 1 -21 22 41 o 18.03728 7.484668 12.73586       21.69737 -3.535000      33.69405 24.26298       28.36015 18.09151 8.314378 21.36956 8.676949 -3.278049      12.01742 
1 1 1 -21 22 42 f 14.71033 6.646198 -3.024637      20.39257 8.001166       28.08201 -15.32577      29.66168 18.39756 8.084728 15.79636 7.437953 2.601199       10.98572 
1 1 1 -21 22 43 f 21.95963 7.839858 29.26075       21.28502 56.20226       29.89756 1.571119       30.30982 28.45441 9.315042 17.90191 8.094041 10.55250       12.34032 
1 1 1 -21 22 44 o 39.09371 6.290232 88.34883       23.25373 116.8991       32.45905 58.24639       33.32972 43.18489 7.972508 28.15709 9.831804 15.02780       12.65801 
1 1 1 -21 22 45 o 10.67797 5.291956 -39.71012      20.83369 -46.31685      28.21907 -31.79454      30.88806 12.60565 6.231349 14.39845 6.989336 -1.792809      9.363788 
1 1 1 -21 22 46 o 16.15497 7.095007 5.125659       21.59800 -8.482358      29.51477 20.81281       31.68940 16.15709 7.547252 20.42993 8.785007 -4.272835      11.58177 
1 1 1 -21 23 1  o 55.95163 3.602619 156.5806       19.62560 104.1821       36.13396 178.5057       23.37368 43.25455 8.833483 59.59835 4.030403 -16.34380      9.709509 
1 1 1 -21 23 2  o 69.51791 4.069959 242.7299       27.57333 195.7545       39.53999 287.2000       38.47112 61.05492 6.727607 75.00476 5.273715 -13.94984      8.548262 
1 1 1 -21 23 3  o 56.46275 4.293984 160.8851       23.55372 132.8605       35.83569 182.2000       31.25265 49.70393 7.607424 59.59179 5.417032 -9.887863      9.339012 
1 1 1 -21 23 4  f 56.27549 4.372921 160.0292       23.89888 97.56515       34.78097 215.9000       32.89415 41.83293 8.774664 65.00416 5.213449 -23.17123      10.20660 
1 1 1 -21 23 5  o 63.75098 3.479581 202.8905       21.63069 188.6931       38.02516 209.6826       26.30064 59.98352 6.584506 64.53217 4.186335 -4.548653      7.802636 
1 1 1 -21 23 6  o 34.88675 4.964491 62.75540       16.47490 41.38162       31.72233 70.64960       19.27873 27.78983 9.598092 36.84789 5.514429 -9.058052      11.06943 
1 1 1 -21 23 7  o 35.90198 5.201978 66.74157       17.74873 59.01000       37.42157 68.98560       20.16058 32.08970 10.41581 36.24809 5.883695 -4.158394      11.96273 
1 1 1 -21 23 8  o 47.89135 4.308619 116.1695       19.98198 104.4000       40.13322 120.0488       23.04091 42.56738 9.830479 48.44439 4.927537 -5.877014      10.99631 
1 1 1 -21 23 9  o 18.72186 6.907648 15.46406       16.70825 25.68000       34.18111 12.25669       19.15232 24.65352 9.685646 18.47048 7.252054 6.183044       12.09975 
1 1 1 -21 23 10 f 26.14044 6.410772 36.83791       16.27602 8.178613       29.59689 49.26224       19.48721 20.45446 8.631474 30.16685 6.766612 -9.712393      10.96765 
1 1 1 -21 23 11 o 51.55088 4.152239 134.3040       20.77485 116.0000       40.24250 140.9545       24.25713 45.08985 9.422081 52.56109 4.766637 -7.471241      10.55919 
1 1 1 -21 23 12 o 17.97051 7.964549 -3.803851      27.80943 -3.803851      27.80943 0.000000       0.000000 17.97051 7.964549 ?        ?        ?              ?        
1 1 1 -21 23 13 o 76.05227 3.445404 289.1465       25.58169 266.2688       39.91997 305.0878       33.32305 71.65475 5.739619 77.61418 4.404367 -5.959427      7.234755 
1 1 1 -21 23 14 o 18.33558 6.841671 14.68846       16.47589 -6.959095      27.97188 26.18878       20.38790 17.48294 7.851287 22.48431 7.697275 -5.001362      10.99503 
1 1 1 -21 23 15 o 15.61166 6.514102 4.587687       16.56644 -0.4878848     26.98359 7.658164       20.98748 18.10817 7.942299 17.78589 7.369071 0.3222752      10.83436 
1 1 1 -21 23 16 o 47.59258 4.334136 115.5669       19.96927 120.6800       31.85280 112.2559       25.63184 47.09956 7.132114 46.17822 5.798194 0.9213448      9.191632 
1 1 1 -21 23 17 o 32.68559 6.057984 57.44573       18.66811 55.73106       29.56929 58.58212       24.07202 30.80580 9.144845 32.20211 7.734329 -1.396315      11.97698 
1 1 1 -21 23 18 o 72.18999 3.615527 262.4620       25.46656 250.0927       39.46002 271.2915       33.33909 68.86965 5.910711 72.69078 4.711005 -3.821129      7.558444 
1 1 1 -21 23 19 o 23.20775 7.234287 29.75687       18.20343 52.43493       28.67826 14.45438       23.55759 29.73810 9.046741 19.74607 7.947380 9.992037       12.04178 
1 1 1 -21 23 20 o 13.88777 6.246801 -5.408295      17.78721 -46.99121      27.33747 25.11994       23.42349 12.88810 6.324346 22.17562 8.179370 -9.287520      10.33922 
1 1 1 -21 23 21 f 36.44096 5.815139 71.44170       20.04553 71.56689       29.99501 71.34067       26.94668 34.57689 8.831923 35.07084 8.024003 -0.4939499     11.93262 
1 1 1 -21 23 22 o 23.09451 7.453711 29.81430       19.18018 22.63474       27.50167 36.61345       26.76315 22.07579 8.683372 25.29294 8.811604 -3.217150      12.37115 
1 1 1 -21 23 23 o 25.54204 7.587245 37.58809       20.34899 32.73758       28.47817 42.64827       29.08713 24.36489 9.013115 26.78063 9.193123 -2.415733      12.87438 
1 1 1 -21 23 24 o 31.93774 7.862047 59.78830       24.41033 53.93565       29.73276 71.89000       42.75455 29.55513 9.250591 32.65571 11.14743 -3.100584      14.48580 
1 1 1 -21 23 25 o 44.80359 6.057430 109.0653       25.88496 118.6924       32.12007 91.23000       43.71891 45.68331 7.438828 36.56696 11.17899 9.116344       13.42781 
1 1 1 -21 23 26 o 52.66583 4.604749 144.4016       23.49931 95.59466       32.46722 198.1013       34.05576 39.93352 8.563175 60.72291 5.800092 -20.78939      10.34258 
1 1 1 -21 23 27 o 25.14910 8.041697 37.26706       22.36206 18.83000       33.14758 52.66653       30.29416 21.93088 9.187127 28.95688 9.369386 -7.025995      13.12207 
1 1 1 -21 23 28 o 28.54023 8.121850 49.15182       23.77082 36.44942       28.70536 76.87000       42.40359 24.86630 9.073948 33.15775 11.10244 -8.291449      14.33878 
1 1 1 -21 23 29 o 27.05206 8.640760 45.04606       25.82328 32.37000       55.29000 48.58265       29.20426 25.99772 11.38673 27.76647 9.211825 -1.768745      14.64634 
1 1 1 -21 23 30 o 21.59286 7.554245 26.23908       19.68211 6.656918       27.17375 47.84950       28.54637 18.51716 8.048574 27.47399 9.107228 -8.956825      12.15406 
1 1 1 -21 23 31 o 16.01111 6.834030 5.026789       18.91728 -3.587323      25.93360 14.82276       27.65549 16.60463 7.499170 19.99520 8.384940 -3.390570      11.24921 
1 1 1 -21 23 32 o 22.86429 7.468540 30.80789       19.22421 -8.577569      26.54180 74.27109       27.88195 16.02078 7.368802 34.63601 8.327123 -18.61523      11.11936 
1 1 1 -21 23 33 o 26.96385 7.249546 43.60330       19.54505 41.40176       27.39393 45.88605       27.89463 25.48109 8.912317 26.59841 9.005281 -1.117325      12.66983 
1 1 1 -21 23 34 o 55.50963 4.191973 160.9935       22.60848 149.6141       32.55272 171.5972       31.42362 51.16219 6.658063 55.71091 5.849634 -4.548714      8.862732 
1 1 1 -21 23 35 o 14.60788 6.442095 0.3212658      17.97694 14.93931       25.24143 -14.72566      25.60903 19.27028 8.040731 14.87365 6.974334 4.396630       10.64400 
1 1 1 -21 23 36 o 18.79531 7.220580 17.76496       18.66974 12.98474       26.33117 22.59770       26.47542 19.10443 8.105212 20.99005 8.433153 -1.885618      11.69669 
1 1 1 -21 23 37 o 19.90766 7.784137 20.55047       21.98936 31.98085       27.49236 0.2530000      36.63554 23.01031 8.781482 19.15904 8.754239 3.851269       12.39964 
1 1 1 -21 23 38 f 22.94491 7.694675 32.11070       20.36708 47.43663       28.61714 16.37917       28.99334 26.62441 9.119210 20.03012 8.501802 6.594290       12.46758 
1 1 1 -21 23 39 o 44.73557 5.187391 108.9447       22.29418 98.84520       31.69604 118.8338       31.36404 39.49254 8.454536 44.52513 7.460146 -5.032589      11.27533 
1 1 1 -21 23 40 o 16.04755 7.038690 3.243440       21.19417 49.20000       33.00587 -29.00200      27.64722 26.61883 9.727373 13.95530 6.735040 12.66353       11.83142 
1 1 1 -21 23 41 o 16.31237 7.001799 6.542429       20.06200 8.352001       28.09030 4.658417       28.66225 18.43113 8.093140 17.99474 8.023852 0.4363937      11.39654 
1 1 1 -21 23 42 o 36.22057 6.477951 76.20727       22.12358 80.19399       30.98242 72.05957       31.60169 34.53244 9.056067 32.19296 9.427087 2.339485       13.07220 
1 1 1 -21 23 43 o 27.71874 7.627079 48.62642       21.34146 50.85035       29.39158 46.14627       31.03848 26.90378 9.240913 25.62746 9.421893 1.276321       13.19722 
1 1 1 -21 23 44 o 21.41201 7.901629 28.37104       21.86438 43.47877       29.99509 11.24262       31.93810 24.84841 9.239192 19.17976 8.516005 5.668652       12.56523 
1 1 1 -21 23 45 o 15.08479 6.811532 -0.8303999     21.38438 26.93758       29.14531 -33.21045      31.47279 21.22653 8.728225 14.34270 6.983397 6.883829       11.17809 
1 1 1 -21 24 1  o 55.66534 5.248003 159.2392       28.25722 59.97000       60.19283 187.3000       32.00277 33.02478 12.88876 60.27779 5.484032 -27.25300      14.00695 
1 1 1 -21 24 2  o 53.20220 4.581764 143.9235       23.62769 116.8922       37.64094 161.5000       30.35240 45.73431 8.726673 55.86495 5.627293 -10.13063      10.38370 
1 1 1 -21 24 3  o 37.63889 5.670173 74.10683       20.24211 31.48393       34.31186 96.86000       25.06939 25.76441 9.815696 42.90445 6.144673 -17.14004      11.58037 
1 1 1 -21 24 4  o 46.86548 4.089876 111.0293       18.57381 79.72525       34.85443 123.4447       21.95018 37.16020 9.535674 49.22925 4.608791 -12.06905      10.59103 
1 1 1 -21 24 5  o 33.57836 5.282714 58.75690       16.79003 10.49427       32.78191 75.91933       19.54870 21.60229 9.098191 38.21865 5.373818 -16.61636      10.56669 
1 1 1 -21 24 6  o 30.15679 6.013522 48.43615       17.12794 -16.49000      37.64373 65.38676       19.23427 19.22225 8.817095 35.25889 5.772739 -16.03664      10.53877 
1 1 1 -21 24 7  o 48.10173 4.229199 117.2574       19.70995 139.1000       43.04589 111.4631       22.17060 49.56371 9.211815 46.60349 4.935086 2.960220       10.45048 
1 1 1 -21 24 8  o 15.99841 6.495945 6.880086       15.89470 -33.99961      31.23981 21.15927       18.46317 15.51239 7.399222 20.75619 7.312274 -5.243800      10.40278 
1 1 1 -21 24 9  o 37.38834 5.016492 72.35478       17.89590 91.89046       33.84288 64.77179       21.08499 40.19639 8.842238 34.75244 6.435378 5.443951       10.93614 
1 1 1 -21 24 10 o 22.33668 6.922456 26.69807       16.69475 37.89656       31.46137 22.30885       19.69661 26.62712 9.528603 21.24562 7.546237 5.381506       12.15483 
1 1 1 -21 24 11 o 34.74192 5.407467 63.33681       17.79069 27.38242       31.64894 79.94620       21.51098 24.29319 9.383197 38.91825 5.825682 -14.62506      11.04459 
1 1 1 -21 24 12 o 61.22449 3.662678 188.5292       21.84943 223.0648       37.30059 170.4895       26.95863 65.26724 5.902406 57.64406 4.822041 7.623180       7.621711 
1 1 1 -21 24 13 o 33.78851 5.701694 60.58678       18.18685 84.94000       35.18378 51.70708       21.24533 37.90239 9.502436 30.50341 7.227117 7.398975       11.93849 
1 1 1 -21 24 14 o 38.73532 5.719118 79.42093       21.03282 93.87372       30.38205 66.12000       29.14621 40.90885 7.873142 33.70452 8.756512 7.204323       11.77552 
1 1 1 -21 24 15 f 19.19539 7.060750 17.30335       17.43477 14.43127       27.61341 19.20734       22.48291 20.73248 8.507224 20.70468 7.931419 0.2780342E-01  11.63101 
1 1 1 -21 24 16 o 32.98820 5.942680 58.57361       18.48311 93.40292       29.91707 37.07298       23.50565 40.69125 7.794945 25.60917 8.250259 15.08208       11.35024 
1 1 1 -21 24 17 o 18.70051 7.065934 15.71604       17.69208 0.2229959      27.78908 26.27620       22.94251 18.19463 8.017261 22.46676 8.124617 -4.272135      11.41428 
1 1 1 -21 24 18 o 19.53769 7.192682 18.50765       18.09865 -8.805953      27.59598 39.12366       23.97501 16.78872 7.642921 26.02510 8.327174 -9.236382      11.30292 
1 1 1 -21 24 19 o 33.99229 6.180099 63.08951       19.80557 59.96096       29.82274 65.55807       26.49095 31.40339 9.147259 33.46739 8.161170 -2.063995      12.25875 
1 1 1 -21 24 20 o 53.33117 4.370284 146.4989       22.61384 143.6995       33.46643 148.8511       30.67694 51.03173 6.874504 52.58575 6.071232 -1.554020      9.171622 
1 1 1 -21 24 21 f 23.35566 7.610041 30.77150       19.96573 8.095231       29.13527 50.84874       27.41482 19.59262 8.424232 29.00042 8.849786 -9.407795      12.21828 
1 1 1 -21 24 22 o 83.39439 3.726365 353.2967       30.34102 348.0188       45.48947 357.5263       40.72256 80.71426 5.796366 82.63645 5.058751 -1.922195      7.693427 
1 1 1 -21 24 23 o 61.80942 4.972905 200.2203       29.83273 190.8326       37.50175 216.4000       49.23294 58.87962 6.621645 60.65984 8.526855 -1.780212      10.79599 
1 1 1 -21 24 24 o 18.62882 7.463931 13.83564       20.67981 35.43624       29.20776 -7.877466      29.28373 24.80818 9.136539 17.17934 7.840914 7.628839       12.03978 
1 1 1 -21 24 25 o 53.09920 4.589231 146.9071       23.61862 124.3514       33.63887 168.8379       33.16962 46.44090 7.667384 55.62048 6.197721 -9.179581      9.859033 
1 1 1 -21 24 26 f 19.27117 7.667852 15.95043       21.67368 8.749000       31.80922 22.19097       29.61111 20.02135 8.705154 21.93109 8.880370 -1.909731      12.43546 
1 1 1 -21 24 27 o 20.94547 8.072107 22.13285       23.38471 3.294760       27.92904 66.31000       42.76972 18.23973 8.037268 30.79704 11.09889 -12.55731      13.70340 
1 1 1 -21 24 28 o 45.57201 5.178177 110.9754       22.68928 74.44088       31.38897 150.9531       32.83482 34.17279 9.186889 51.93760 6.608143 -17.76480      11.31665 
1 1 1 -21 24 29 o 11.73673 5.635904 -22.18831      18.79630 -36.69464      26.23740 -6.894078      26.94051 13.08032 6.370412 16.43823 7.509524 -3.357907      9.847593 
1 1 1 -21 24 30 o 26.55670 7.379556 42.08083       19.86978 51.95762       27.81001 31.78092       28.39948 28.46795 8.951654 23.43066 8.929222 5.037292       12.64370 
1 1 1 -21 24 31 o 15.41145 6.654689 3.463278       18.33078 -1.605186      25.72131 8.694417       26.13083 16.70439 7.512974 18.43620 7.952991 -1.731817      10.94051 
1 1 1 -21 24 32 o 15.20509 6.610443 2.631756       18.33895 -6.082835      25.73182 11.62739       26.14346 16.02355 7.327305 18.87842 8.045182 -2.854866      10.88184 
1 1 1 -21 24 33 f 15.77957 6.757703 5.227417       18.60899 2.482946       26.28130 7.986884       26.35301 17.34128 7.710936 18.23232 7.925417 -0.8910332     11.05761 
1 1 1 -21 24 34 o 17.88937 7.101146 14.44603       18.54598 -12.68544      25.97165 42.67565       26.49204 15.20969 7.096468 25.71603 8.774960 -10.50633      11.28538 
1 1 1 -21 24 35 o 30.59306 6.687450 54.74398       19.46569 79.91006       28.14816 31.67765       26.94832 35.72358 8.220693 22.95179 8.709562 12.77179       11.97649 
1 1 1 -21 24 36 o 18.95413 7.541101 17.26264       20.96143 26.36429       26.45270 1.903000       34.36375 21.67710 8.519305 18.90696 8.576357 2.770142       12.08853 
1 1 1 -21 24 37 o 14.54783 6.484555 -0.9638604     18.70254 -4.020836      25.90728 2.363076       27.02701 16.21224 7.390108 17.39336 7.771208 -1.181116      10.72406 
1 1 1 -21 24 38 o 32.24509 7.266502 62.78429       22.38368 81.16000       34.50270 49.42968       29.41349 33.99728 9.820093 26.97519 9.245049 7.022089       13.48722 
1 1 1 -21 24 39 o 32.80134 6.758844 63.37612       20.97833 88.17995       29.45270 37.83413       29.88775 37.32951 8.277694 24.19053 9.173977 13.13898       12.35646 
1 1 1 -21 24 40 o 30.19169 7.148001 55.30817       20.79491 91.37682       29.50333 19.69982       29.31447 38.01949 8.171302 20.47279 8.611929 17.54670       11.87162 
1 1 1 -21 24 41 o 25.80227 7.623045 41.81423       20.58666 54.22341       28.92012 29.06674       29.31169 28.03654 9.160486 22.19711 8.888709 5.839424       12.76415 
1 1 1 -21 24 42 o 18.66011 7.437359 17.51405       20.42426 4.028048       27.25419 34.78982       30.84682 17.43814 7.796620 23.19034 9.173182 -5.752201      12.03888 
1 1 1 -21 24 43 o 17.27035 7.221510 11.88617       20.42419 16.87283       27.45537 5.707142       30.56207 19.38567 8.252400 18.17828 8.181519 1.207386       11.62064 
1 1 1 -21 24 44 f 17.95398 7.369007 15.32004       20.72550 24.34114       27.64330 3.739307       31.32047 20.59142 8.487143 17.89885 8.145992 2.692577       11.76388 
1 1 1 -21 25 1  o 51.08708 5.389885 135.3862       26.54659 95.62000       59.66830 145.2000       29.64182 38.14375 13.16406 52.66718 5.848364 -14.52343      14.40472 
1 1 1 -21 25 2  o 55.11264 4.138402 153.8452       22.16187 51.62000       59.55370 170.2772       23.87671 31.26882 12.61806 57.94838 4.238785 -26.67957      13.31100 
1 1 1 -21 25 3  o 34.35622 5.458785 62.00431       17.74389 68.70000       57.98825 61.31263       18.63786 33.67337 12.77662 34.01449 5.806145 -0.3411179     14.03400 
1 1 1 -21 25 4  o 40.72757 4.718267 85.33303       18.46193 116.5000       44.41633 78.82368       20.29851 44.04194 10.45959 38.79230 5.499798 5.249638       11.81740 
1 1 1 -21 25 5  o 21.69242 6.988438 24.92169       16.86542 12.09000       40.22722 27.65817       18.57693 23.19448 9.934488 22.73969 7.335240 0.4547882      12.34908 
1 1 1 -21 25 6  o 33.19219 5.760409 58.47662       18.03687 23.99000       40.28812 67.12160       20.17130 24.96580 10.26346 35.49408 6.020869 -10.52828      11.89914 
1 1 1 -21 25 7  o 22.82458 6.858508 28.24633       16.55452 11.37632       32.25878 34.27739       19.28798 21.38268 9.016582 24.92905 7.382185 -3.546368      11.65313 
1 1 1 -21 25 8  o 35.68986 5.404709 66.93232       18.29062 22.95649       32.45951 87.39195       22.14032 23.44874 9.365985 40.71846 5.711889 -17.26972      10.97029 
1 1 1 -21 25 9  o 41.01448 4.804186 86.94079       18.92185 78.54807       33.50326 90.87168       22.92880 36.48207 9.342389 41.45676 5.809659 -4.974682      11.00147 
1 1 1 -21 25 10 o 26.82374 6.654728 39.62830       17.38825 6.736255       30.81684 54.99142       21.06116 20.18456 8.671124 31.52449 7.007029 -11.33993      11.14840 
1 1 1 -21 25 11 o 19.86546 7.024968 19.68383       17.05333 42.83768       31.02244 9.657404       20.41444 27.40330 9.490309 17.94841 7.333973 9.454893       11.99388 
1 1 1 -21 25 12 o 31.26488 6.052158 52.85167       17.85191 -4.496482      31.27434 80.56852       21.74205 18.56760 8.322976 38.85352 5.902359 -20.28592      10.20342 
1 1 1 -21 25 13 o 71.70171 3.726424 259.7076       26.06365 238.7000       49.46598 267.7813       30.66575 65.34028 7.894095 72.40771 4.346771 -7.067429      9.011724 
1 1 1 -21 25 14 o 50.57555 4.131339 130.6917       20.27405 122.8786       34.20969 134.9214       25.17055 46.69631 7.756469 50.82729 5.129391 -4.130981      9.299110 
1 1 1 -21 25 15 o 26.80461 7.255599 40.82990       19.49813 44.38000       35.21127 39.25989       23.41597 27.51248 10.04817 26.07566 8.216076 1.436817       12.97959 
1 1 1 -21 25 16 o 29.09147 7.655293 48.84060       22.09005 42.11820       30.08897 56.70000       32.53421 26.79203 9.342490 30.31925 9.700291 -3.527222      13.46766 
1 1 1 -21 25 17 o 21.56502 7.424951 25.00472       18.97847 47.47293       29.01405 8.202202       25.09063 28.10815 9.174804 18.69913 7.921700 9.409019       12.12148 
1 1 1 -21 25 18 f 73.55763 3.713735 274.4820       26.65247 224.4418       39.08296 317.9836       36.44023 64.42958 6.276687 78.29884 4.777400 -13.86926      7.887988 
1 1 1 -21 25 19 o 24.70841 7.460195 35.03412       19.55255 12.39857       28.35880 55.54427       26.99459 20.12719 8.468695 30.32273 8.663592 -10.19554      12.11514 
1 1 1 -21 25 20 o 36.79280 6.045954 73.95047       21.01815 42.98857       30.51487 101.8989       28.99188 26.71058 9.401376 42.42596 7.241007 -15.71538      11.86668 
1 1 1 -21 25 21 o 29.48286 8.169137 51.91594       24.38772 46.73764       31.01079 60.31000       39.48256 27.56509 9.491148 30.30768 10.69169 -2.742584      14.29665 
1 1 1 -21 25 22 o 78.74001 4.963767 325.0430       38.06250 366.5000       53.93110 283.9000       53.72651 81.27021 6.843074 70.04745 7.977945 11.22276       10.51072 
1 1 1 -21 25 23 o 25.46135 7.626875 37.98759       20.49550 44.36561       28.82669 31.46752       29.14596 26.90285 9.153960 23.85133 9.056149 3.051523       12.87668 
1 1 1 -21 25 24 o 43.54856 5.758952 102.8086       23.94727 78.38000       37.48259 119.6571       31.12875 34.27261 10.32500 45.88347 7.165154 -11.61087      12.56762 
1 1 1 -21 25 25 o 22.89870 8.039476 30.04101       22.30452 -12.21000      33.02335 65.48406       30.24602 17.50432 8.110700 32.09129 9.171040 -14.58697      12.24302 
1 1 1 -21 25 26 o 41.43269 7.143631 98.49895       27.92530 54.70000       60.22088 110.4971       31.51894 28.66671 12.21324 43.43794 7.694647 -14.77123      14.43506 
1 1 1 -21 25 27 o 63.30562 4.166421 207.6180       25.67384 150.2298       35.19428 272.8945       37.53525 51.08099 7.241690 71.29015 5.419638 -20.20915      9.045139 
1 1 1 -21 25 28 o 38.12737 5.960868 80.41834       21.51807 34.25768       30.14298 128.3874       30.72775 24.12272 9.197720 47.56464 6.792652 -23.44192      11.43408 
1 1 1 -21 25 29 o 16.27002 6.884584 6.632717       18.91408 -2.872029      26.47372 16.54265       27.03212 16.75140 7.570080 20.05830 8.341414 -3.306902      11.26434 
1 1 1 -21 25 30 o 21.61781 7.363637 27.24909       18.65428 24.89214       26.11563 29.70439       26.65489 21.50370 8.460699 22.62207 8.643425 -1.118368      12.09513 
1 1 1 -21 25 31 o 16.52786 6.866284 8.957280       18.29012 11.40699       26.29137 6.659886       25.46089 18.83826 8.049129 17.84474 7.773104 0.9935226      11.18971 
1 1 1 -21 25 32 o 14.49468 6.433208 -0.5557351     18.20781 32.21929       25.76772 -33.23937      25.73177 23.02984 8.563335 13.04281 6.342310 9.987023       10.65625 
1 1 1 -21 25 33 o 31.31468 6.716159 57.30687       19.96868 65.99189       28.60243 49.04855       27.89095 31.73911 8.866655 27.24651 9.000937 4.492605       12.63465 
1 1 1 -21 25 34 o 12.78437 5.949234 -10.56429      18.06337 -1.868567      25.93190 -18.76034      25.17581 16.54301 7.482491 14.23130 6.746264 2.311713       10.07471 
1 1 1 -21 25 35 o 15.61838 6.883354 1.832383       20.49336 -24.94320      25.57858 49.83000       34.24654 13.71778 6.583883 26.74980 9.885944 -13.03202      11.87769 
1 1 1 -21 25 36 o 25.47764 7.324131 39.76949       19.23571 38.32720       27.33568 41.18419       27.07302 24.36499 8.860271 25.08156 8.852967 -0.7165699     12.52515 
1 1 1 -21 25 37 o 29.73278 7.468371 54.34543       21.70363 58.05000       32.95226 51.50708       28.84360 28.58210 9.785706 27.51902 9.155531 1.063080       13.40089 
1 1 1 -21 25 38 o 32.75393 6.758166 63.34784       20.94787 79.22083       29.41625 47.01669       29.83776 34.81888 8.665644 26.22288 9.290487 8.596003       12.70459 
1 1 1 -21 25 39 o 14.87356 6.598449 0.5240694      19.13410 -18.96907      26.32938 22.34070       27.85439 14.45006 6.864191 20.74957 8.532486 -6.299509      10.95082 
1 1 1 -21 25 40 o 18.02142 7.266922 14.95643       19.73665 19.42204       26.88475 9.736654       29.06643 20.05058 8.326771 18.74467 8.231629 1.305916       11.70875 
1 1 1 -21 25 41 o 16.22520 7.170468 3.609524       22.38413 13.15072       26.77831 -18.52000      40.78192 18.75896 8.071169 17.68993 8.442360 1.069025       11.67978 
1 1 1 -21 25 42 o 18.02264 7.585533 13.55610       22.76353 5.212777       26.99489 34.09000       42.34946 17.40411 7.771951 23.13640 10.05212 -5.732283      12.70623 
1 1 1 -21 25 43 o 17.60162 7.471451 12.41511       22.39382 22.36576       26.55249 -12.10000      41.67699 20.08449 8.301992 18.01755 8.580764 2.066935       11.93954 
1 1 1 -21 26 1  o 18.66815 7.710497 9.756279       22.87937 5.260200       33.56133 13.66000       31.27242 20.58387 8.945792 21.41344 8.943571 -0.8295650     12.64969 
1 1 1 -21 26 2  o 67.40683 3.968138 230.0588       26.06583 139.6000       63.57384 248.3385       28.57839 44.69393 13.44269 69.90547 4.195889 -25.21154      14.08231 
1 1 1 -21 26 3  o 27.81326 7.019111 43.07384       19.10669 0.000000       0.000000 43.07384       19.10669 ?        ?        27.81326 7.019111 ?              ?        
1 1 1 -21 26 4  o 47.66735 4.924113 117.6856       22.64465 0.000000       0.000000 117.6856       22.64465 ?        ?        47.66735 4.924113 ?              ?        
1 1 1 -21 26 5  o 33.92339 5.581538 61.14693       17.88957 71.54677       34.27772 57.25381       20.97238 34.37746 9.743008 32.19143 6.865443 2.186031       11.91891 
1 1 1 -21 26 6  o 32.22245 5.885436 55.78828       17.87900 38.66160       33.11582 62.83422       21.24068 26.49882 9.733791 33.86000 6.646173 -7.361181      11.78636 
1 1 1 -21 26 7  o 29.86090 6.337285 48.75781       17.94916 4.602949       33.24768 66.92025       21.32354 20.32376 8.867269 35.05350 6.452408 -14.72974      10.96640 
1 1 1 -21 26 8  o 22.28392 7.161936 27.02916       17.72041 -35.42634      33.05067 52.22634       20.99283 15.70578 7.523712 30.51929 7.152804 -14.81351      10.38118 
1 1 1 -21 26 9  o 37.62640 7.489684 79.64915       26.61412 38.30906       35.21666 134.7000       40.63914 26.43427 9.973287 47.96729 8.985631 -21.53302      13.42416 
1 1 1 -21 26 10 o 55.39301 4.135469 156.6839       22.26079 85.04171       37.76102 194.8434       27.55882 36.90462 10.14170 61.49915 4.611687 -24.59453      11.14100 
1 1 1 -21 26 11 o 16.00295 6.627941 6.381660       16.96964 6.180618       31.01595 6.467553       20.27315 19.87161 8.618303 17.07101 7.170191 2.800596       11.21101 
1 1 1 -21 26 12 o 40.93114 4.885943 87.62289       19.18919 78.12632       32.81445 92.55804       23.65552 35.80350 9.285893 41.43510 6.007560 -5.631603      11.05977 
1 1 1 -21 26 13 o 26.28647 6.791000 38.90574       17.59654 16.01820       30.11745 50.76812       21.68226 21.23717 8.815815 29.73627 7.462136 -8.499096      11.54998 
1 1 1 -21 26 14 o 24.26985 7.130354 33.32907       18.05367 46.40444       30.87557 26.53603       22.25462 27.76881 9.473209 22.30766 8.010303 5.461153       12.40591 
1 1 1 -21 26 15 o 23.09729 7.388497 29.99711       18.87541 11.32350       29.97864 42.26222       24.29593 20.32472 8.636661 26.77622 8.359379 -6.451500      12.01961 
1 1 1 -21 26 16 o 42.21440 5.668735 95.57635       22.83207 78.13000       39.64237 104.2364       27.92969 34.42825 10.66675 43.31903 6.811490 -8.890785      12.65607 
1 1 1 -21 26 17 o 37.85085 5.964260 77.92457       21.36667 45.66175       32.66497 102.0522       28.24805 27.36779 9.718259 42.65673 7.008611 -15.28895      11.98187 
1 1 1 -21 26 18 o 46.41388 5.710953 115.8187       25.39914 109.3532       33.38788 124.7000       39.13162 43.14787 8.205172 45.24691 9.150354 -2.099037      12.29040 
1 1 1 -21 26 19 o 13.88488 6.349966 -8.372637      19.33167 -9.440041      28.81873 -7.499391      26.06626 16.85797 7.725929 16.30554 7.424940 0.5524330      10.71540 
1 1 1 -21 26 20 o 24.76591 8.321898 36.06484       23.82186 31.43923       30.37953 43.45000       38.38632 23.94887 9.208067 26.79919 10.33840 -2.850315      13.84453 
1 1 1 -21 26 21 o 20.53064 8.042025 19.85976       23.50526 -17.80122      28.91597 93.22000       40.35731 15.85490 7.426912 37.29356 10.57256 -21.43866      12.92045 
1 1 1 -21 26 22 o 34.12524 6.604991 65.61454       21.26493 33.30492       30.08924 97.85518       30.05710 24.22417 9.200637 40.87985 7.796021 -16.65568      12.05942 
1 1 1 -21 26 23 o 17.95513 7.448745 10.59720       21.48218 40.86000       32.88630 -11.92738      28.37193 25.85441 9.662212 16.28572 7.536186 9.568689       12.25367 
1 1 1 -21 26 24 o 38.71804 7.029703 85.92184       25.66044 70.67277       32.03983 113.2000       42.85247 33.03898 9.438175 40.81702 10.62428 -7.778042      14.21107 
1 1 1 -21 26 25 f 34.29314 6.544772 66.72355       21.16767 56.41141       29.56037 77.57642       30.32550 29.54719 9.220084 35.11954 8.831721 -5.572344      12.76751 
1 1 1 -21 26 26 o 18.80165 7.398664 16.16142       19.97336 9.360968       27.51012 23.74217       29.04557 18.96972 8.171476 21.85005 8.813914 -2.880329      12.01907 
1 1 1 -21 26 27 o 34.87233 6.417711 69.00983       21.09925 31.04070       28.67166 113.8590       31.16124 23.20612 8.939506 43.96921 7.509804 -20.76309      11.67527 
1 1 1 -21 26 28 o 67.18829 3.834135 232.8575       25.11080 247.2358       36.47976 219.9098       34.61744 67.36000 5.582886 63.45510 5.631860 3.904900       7.930099 
1 1 1 -21 26 29 o 12.68174 5.896811 -10.54542      17.69164 -9.372636      24.40891 -11.84342      25.67889 15.17143 7.009789 15.24064 7.092623 -0.6921673E-01 9.972083 
1 1 1 -21 26 30 o 12.04545 5.692705 -14.91326      17.66928 -11.59371      24.69744 -18.39383      25.28935 14.94321 6.954731 14.33606 6.785747 0.6071548      9.716720 
1 1 1 -21 26 31 o 22.22076 7.352131 29.50069       18.60640 28.34636       26.19384 30.67634       26.43465 22.12124 8.538445 22.66681 8.620357 -0.5455627     12.13324 
1 1 1 -21 26 32 o 27.61051 7.135656 45.86961       19.42320 32.92173       27.57298 58.62317       27.36530 23.23797 8.811832 29.89292 8.777658 -6.654947      12.43767 
1 1 1 -21 26 33 o 13.36770 6.168255 -8.386470      18.81001 22.17360       27.22070 -36.31534      26.02248 20.81592 8.482710 12.84051 6.273411 7.975413       10.55045 
1 1 1 -21 26 34 o 28.85447 7.720987 51.93137       22.23460 45.56004       28.28830 62.23000       35.96513 26.09367 9.061068 29.16591 10.21108 -3.072247      13.65171 
1 1 1 -21 26 35 o 20.80164 7.425336 25.23750       19.09299 25.02847       27.36783 25.43570       26.64963 21.35585 8.576185 21.37652 8.503582 -0.2066994E-01 12.07733 
1 1 1 -21 26 36 o 17.08290 7.206320 9.574954       20.61905 22.14000       32.18674 0.8296885      26.85230 21.29252 8.993987 17.06822 7.676513 4.224295       11.82458 
1 1 1 -21 26 37 o 15.86584 6.846503 5.353601       19.37832 3.145161       26.43186 7.920146       28.49439 17.25095 7.697898 18.39974 8.112573 -1.148787      11.18354 
1 1 1 -21 26 38 o 27.31434 8.229965 48.70551       23.81343 37.30246       28.66388 74.11000       42.78384 23.86134 8.998772 30.22265 11.07002 -6.361309      14.26616 
1 1 1 -21 26 39 o 20.95065 8.018274 25.67527       22.96396 21.03952       27.61793 36.06000       41.33601 20.38334 8.450020 23.81270 10.13101 -3.429361      13.19243 
1 1 1 -21 26 40 o 26.81444 8.163939 47.49996       23.34801 30.97842       27.81682 86.89000       42.95121 22.23342 8.736732 32.22453 11.16648 -9.991110      14.17818 
1 1 1 -21 26 41 o 19.10798 7.750916 19.03120       22.60363 25.40602       26.82411 3.418000       41.97948 20.84510 8.447952 19.57961 9.097143 1.265495       12.41475 
1 1 1 -21 26 42 o 29.05397 8.278457 57.44211       24.68097 70.54034       29.74931 28.52000       44.20646 31.23485 9.146651 22.17968 9.922153 9.055170       13.49483 
1 1 1 -21 27 1  o 21.25040 8.435822 19.37634       26.17418 -31.75000      43.69918 47.98000       32.68599 18.72032 8.878298 28.30862 9.744252 -9.588295      13.18236 
1 1 1 -21 27 2  o 32.93052 6.152399 59.08419       19.10218 6.918000       44.93830 70.58883       21.10370 22.77840 10.10839 36.03308 6.207448 -13.25468      11.86221 
1 1 1 -21 27 3  f 27.09255 6.894842 41.27141       18.32729 -9.613000      46.22381 50.76275       19.96352 21.23360 9.751029 30.07830 6.924197 -8.844698      11.95939 
1 1 1 -21 27 4  o 41.40244 5.369449 90.67236       21.24811 -70.05000      58.89579 114.7220       22.78244 19.37108 9.458344 46.82315 5.050694 -27.45207      10.72240 
1 1 1 -21 27 5  o 33.84804 6.395446 62.94376       20.41273 -16.43000      56.94360 74.64747       21.86593 22.51048 10.50450 37.00967 6.258870 -14.49920      12.22776 
1 1 1 -21 27 6  o 23.14037 7.523609 29.87635       19.52035 -5.857000      58.31292 34.38592       20.71550 23.55876 10.86706 24.58048 7.725463 -1.021727      13.33326 
1 1 1 -21 27 7  o 16.33786 6.733068 7.342367       17.39470 1.289624       33.36859 9.600896       20.38330 19.63968 8.713277 17.74133 7.297632 1.898346       11.36559 
1 1 1 -21 27 8  o 22.97130 7.222995 29.52099       18.10643 13.77861       33.42331 36.05994       21.54112 21.47479 9.122133 25.06224 7.878052 -3.587456      12.05309 
1 1 1 -21 27 9  o 20.12557 7.278929 20.55441       18.41570 19.79325       32.48460 20.91489       22.35505 22.28876 9.194917 20.83518 7.926479 1.453575       12.13983 
1 1 1 -21 27 10 o 22.83837 7.374948 29.14290       18.77538 -14.64349      31.68554 52.83644       23.30809 17.18779 7.957293 30.10707 7.834907 -12.91928      11.16711 
1 1 1 -21 27 11 o 21.44816 7.344701 24.92404       18.56326 -24.94019      31.02109 52.74107       23.16956 15.88423 7.517641 30.05503 7.806715 -14.17080      10.83788 
1 1 1 -21 27 12 o 45.22825 4.797065 106.9249       20.91348 63.81056       33.33125 134.9194       26.85823 31.79335 9.768779 50.34362 5.541944 -18.55027      11.23130 
1 1 1 -21 27 13 o 23.57503 7.395452 31.64201       18.99235 41.74499       31.56063 25.90634       23.78007 26.47771 9.535238 22.18677 8.230863 4.290941       12.59634 
1 1 1 -21 27 14 o 24.08614 7.327688 33.25901       18.81462 36.62927       31.15011 31.32333       23.60722 25.25937 9.410866 23.55495 8.270838 1.704412       12.52881 
1 1 1 -21 27 15 o 13.97161 6.321822 -5.948764      18.53164 -46.47234      30.05278 18.91364       23.53978 13.68053 6.696104 20.39806 8.030502 -6.717533      10.45594 
1 1 1 -21 27 16 o 19.62218 7.437932 18.60027       19.64076 36.43858       30.28900 5.657324       25.80029 25.08482 9.292362 18.23622 7.884744 6.848598       12.18676 
1 1 1 -21 27 17 o 16.10211 6.916554 3.764464       19.60307 -20.11562      29.93820 21.68705       25.93630 15.91813 7.488219 21.33437 8.420043 -5.416241      11.26812 
1 1 1 -21 27 18 o 24.33937 8.044474 34.66091       22.27750 60.83000       36.28728 18.83191       28.22194 30.38780 10.27112 21.09140 8.621256 9.296398       13.40977 
1 1 1 -21 27 19 o 22.16287 8.210539 26.62552       23.64775 35.55077       30.30523 12.73000       37.81332 24.75021 9.270045 21.67858 9.457483 3.071630       13.24303 
1 1 1 -21 27 20 o 22.51602 8.324621 28.00215       24.28770 45.86680       31.04480 -0.1834000     38.99463 27.04850 9.485646 20.20889 9.154595 6.839607       13.18272 
1 1 1 -21 27 21 o 46.48391 5.212610 115.5339       23.30916 126.1172       35.23761 107.3003       31.08062 46.03436 8.116716 42.76658 7.708198 3.267776       11.19363 
1 1 1 -21 27 22 o 55.15465 6.236139 168.0420       33.07713 174.3000       45.45745 161.0000       48.22104 53.06502 9.077729 49.48280 10.29158 3.582222       13.72304 
1 1 1 -21 27 23 o 38.96494 7.554246 89.43115       27.77164 133.2000       60.17225 77.58413       31.30533 39.97779 13.22126 34.84195 9.086526 5.135841       16.04265 
1 1 1 -21 27 24 o 18.65156 7.459876 15.10839       20.61998 13.83682       28.62598 16.47968       29.72729 19.92893 8.452854 20.57788 8.665182 -0.6489410     12.10521 
1 1 1 -21 27 25 o 16.74450 7.119401 6.915434       20.39094 0.8262241      28.12414 13.66381       29.60727 17.70329 7.917271 20.00304 8.544089 -2.299755      11.64837 
1 1 1 -21 27 26 o 30.60905 7.091954 55.41187       20.83136 41.04758       28.78120 71.21594       30.18919 25.36517 9.109317 33.02427 9.065171 -7.659103      12.85134 
1 1 1 -21 27 27 o 16.23231 6.868599 7.072185       18.82624 -15.85558      26.12119 31.85564       27.15770 14.89270 7.002323 23.05260 8.744371 -8.159902      11.20253 
1 1 1 -21 27 28 o 32.42185 6.435868 60.55343       19.70371 34.58668       27.65372 87.33015       28.08171 23.65755 8.856374 37.79776 7.847218 -14.14021      11.83276 
1 1 1 -21 27 29 o 30.32372 6.779893 54.23549       19.61804 51.20006       27.88365 57.21090       27.60662 27.68940 8.991235 29.37256 8.863663 -1.683157      12.62564 
1 1 1 -21 27 30 f 37.14415 5.746086 76.94214       20.21765 37.33244       28.14980 119.1428       29.05588 24.22967 8.961380 45.37689 6.746707 -21.14722      11.21715 
1 1 1 -21 27 31 o 21.80330 7.426228 28.38075       18.97268 32.78468       27.63005 24.45159       26.09828 23.10791 8.807142 21.18072 8.418588 1.927193       12.18353 
1 1 1 -21 27 32 o 16.00958 6.841795 6.255551       19.00218 10.88954       27.10017 1.773665       26.65171 18.71199 8.085670 17.18823 7.695589 1.523764       11.16244 
1 1 1 -21 27 33 o 20.12733 7.754249 22.18375       21.57425 35.99580       27.34671 -0.5815000     35.10852 23.73252 8.822345 18.61560 8.529954 5.116922       12.27167 
1 1 1 -21 27 34 o 14.96152 6.602405 1.187165       18.91225 11.33952       27.32894 -8.142859      26.19876 18.78000 8.117401 15.69118 7.254287 3.088821       10.88655 
1 1 1 -21 27 35 o 14.47494 6.583935 -4.474826      20.42339 5.547000       31.77584 -11.52904      26.65926 18.71714 8.389771 15.39312 7.184614 3.324019       11.04567 
1 1 1 -21 27 36 f 16.77481 7.314314 5.988358       22.59181 22.60426       26.98594 -32.94000      41.30557 20.66105 8.436057 16.83209 8.149788 3.828951       11.72971 
1 1 1 -21 27 37 o 17.80101 7.493564 11.93084       22.22106 30.04801       26.47993 -31.20000      40.85691 22.17056 8.577569 16.84772 8.144792 5.322840       11.82845 
1 1 1 -21 27 38 o 17.92347 7.471474 13.29765       21.76280 19.23982       25.65223 -1.963000      41.10921 19.72606 8.157525 19.21317 8.952313 0.5128880      12.11153 
1 1 1 -21 27 39 o 26.58394 8.019809 46.48018       22.60269 50.83652       26.74059 35.58000       42.29872 27.06136 8.806310 23.43353 10.11369 3.627838       13.41036 
1 1 1 -21 27 40 o 20.98378 8.056510 27.15455       23.23323 34.71125       27.89226 10.03000       41.98818 22.76873 8.804870 20.16052 9.271175 2.608208       12.78595 
1 1 1 -21 27 41 o 16.72589 7.279519 8.093748       22.28984 13.06074       26.32209 -4.496000      41.90657 18.31561 7.941469 18.61522 8.788343 -0.2996025     11.84491 
1 1 1 -21 28 1  o 27.56496 9.021254 45.71142       28.04233 -13.86000      44.62729 84.58000       36.04798 20.29813 9.413325 36.62648 9.844482 -16.32835      13.62074 
1 1 1 -21 28 2  o 14.99933 6.904383 -11.28293      23.36547 -29.00981      32.26580 8.263000       33.88085 15.85783 7.551594 20.64160 8.979389 -4.783777      11.73269 
1 1 1 -21 28 3  f 38.01554 5.582703 77.48878       20.15515 -4.749910      34.48822 120.1440       24.83811 19.03060 8.616247 47.56603 5.432038 -28.53544      10.18562 
1 1 1 -21 28 4  o 51.45594 4.295870 136.4582       21.43955 101.1140       35.94714 155.9720       26.71017 40.70093 9.235567 54.51492 5.063467 -13.81399      10.53254 
1 1 1 -21 28 5  o 43.54527 5.613561 101.4665       23.37079 39.15000       57.00201 114.0586       25.62346 27.66868 11.83775 46.06281 5.812188 -18.39413      13.18764 
1 1 1 -21 28 6  o 23.33450 7.892207 30.67975       21.42486 -28.84000      55.37360 41.15878       23.23446 21.04048 9.983157 26.44413 8.161596 -5.403648      12.89477 
1 1 1 -21 28 7  o 23.62633 7.898869 31.71742       21.46434 23.67000       53.93959 33.23148       23.39655 25.53643 11.21390 24.11917 8.245990 1.417252       13.91934 
1 1 1 -21 28 8  o 16.55707 6.876063 7.401283       18.33336 -36.90850      31.37246 30.38016       22.59244 14.85622 7.170980 23.26110 8.096435 -8.404876      10.81551 
1 1 1 -21 28 9  o 20.77670 7.372803 22.91748       18.79774 29.03488       30.86859 19.31187       23.69859 23.62749 9.227395 20.54576 8.066954 3.081734       12.25645 
1 1 1 -21 28 10 o 16.97146 6.950690 9.227670       18.38874 3.444435       30.37208 12.57444       23.10480 19.02716 8.382946 18.91345 7.773570 0.1137123      11.43251 
1 1 1 -21 28 11 o 16.42566 6.883758 6.605931       18.62158 -12.76585      31.03406 17.50465       23.27779 17.07112 7.893360 20.01117 7.951668 -2.940050      11.20420 
1 1 1 -21 28 12 o 23.96237 7.453778 33.11401       19.33585 28.45697       31.40014 35.95860       24.54064 23.47548 9.264739 24.77169 8.445749 -1.296213      12.53659 
1 1 1 -21 28 13 o 15.29559 6.702644 0.3193669      19.17884 20.44929       30.08175 -13.46683      24.89455 21.72696 8.893221 15.12629 7.020300 6.600674       11.33022 
1 1 1 -21 28 14 o 26.33007 7.396135 40.56575       19.84391 39.49047       30.38820 41.36518       26.20192 25.66167 9.340389 26.13406 8.726960 -0.4723892     12.78291 
1 1 1 -21 28 15 o 34.75803 6.185256 66.90069       20.27217 64.82647       31.38147 68.38616       26.55704 31.88925 9.409293 33.78193 8.130102 -1.892673      12.43517 
1 1 1 -21 28 16 o 50.46976 4.762080 133.7534       23.24713 105.4529       34.27900 157.8535       31.63300 41.65300 8.689214 53.72095 6.125056 -12.06795      10.63103 
1 1 1 -21 28 17 o 26.74120 8.408288 43.56940       24.53662 34.59215       31.13998 58.27000       39.84870 24.50134 9.347017 29.41809 10.69769 -4.916742      14.20589 
1 1 1 -21 28 18 o 22.68260 8.262356 29.05439       23.78481 16.20452       30.37535 49.42000       38.24022 20.81665 8.762047 27.59871 10.39698 -6.782055      13.59672 
1 1 1 -21 28 19 o 42.85188 5.434750 99.20000       22.28384 114.1670       33.55707 87.39373       29.80394 43.64976 8.153853 37.96276 8.256302 5.687000       11.60396 
1 1 1 -21 28 20 o 19.10927 7.654273 15.91988       21.74166 23.97000       35.16262 10.93725       27.66366 22.68829 9.480339 19.30894 8.253543 3.379343       12.56972 
1 1 1 -21 28 21 o 20.72463 8.090186 21.78631       23.72035 15.69000       35.32943 26.79004       32.00735 21.33232 9.225021 22.72489 9.221417 -1.392574      13.04360 
1 1 1 -21 28 22 o 17.45253 7.596372 5.098026       24.27652 -9.993896      29.86575 34.49000       41.67883 16.77442 7.751645 24.78083 10.33558 -8.006411      12.91945 
1 1 1 -21 28 23 o 20.88233 7.776578 23.90479       21.26580 -9.064119      29.70422 58.56990       30.45875 16.78550 7.747477 29.71336 9.371636 -12.92786      12.15940 
1 1 1 -21 28 24 o 40.15414 5.911613 89.71350       22.54036 73.64170       31.76165 106.0207       31.99339 33.25595 9.362616 41.60678 8.147466 -8.350826      12.41128 
1 1 1 -21 28 25 o 17.90464 7.297475 13.20147       20.14916 21.88668       28.45855 4.471364       28.53202 21.05234 8.637223 18.13799 8.051518 2.914351       11.80799 
1 1 1 -21 28 26 f 32.55098 6.779710 62.04776       20.89888 22.32126       29.57859 101.6504       29.53243 21.23743 8.768862 41.06200 7.628472 -19.82457      11.62267 
1 1 1 -21 28 27 o 22.18036 7.640346 29.59314       20.09633 27.36655       28.99284 31.65221       27.88078 22.05561 8.837444 22.88586 8.815555 -0.8302441     12.48256 
1 1 1 -21 28 28 o 19.34417 7.873026 17.40900       23.41309 18.13488       29.07476 16.07000       39.48872 20.32763 8.565227 21.40777 9.489212 -1.080141      12.78312 
1 1 1 -21 28 29 o 16.17174 6.924502 6.181940       19.53300 31.79766       28.37572 -16.88786      26.92871 22.93877 8.878082 14.94751 7.053180 7.991256       11.33877 
1 1 1 -21 28 30 o 33.03581 6.608144 63.87658       20.62145 55.72658       30.39478 70.82755       28.07001 28.33243 9.397650 32.91928 8.613570 -4.586851      12.74792 
1 1 1 -21 28 31 o 13.10936 6.205050 -16.42761      21.14532 -18.33093      27.72282 -13.78000      32.69702 14.96124 7.088470 16.69432 7.844672 -1.733085      10.57286 
1 1 1 -21 28 32 o 30.76564 7.003697 56.87585       20.61624 54.40438       30.63946 58.92052       27.86866 27.88956 9.437975 29.55592 8.902696 -1.666355      12.97433 
1 1 1 -21 28 33 o 16.93562 7.086730 10.07750       19.69059 15.93101       29.07069 5.115565       26.76535 19.78786 8.459611 17.63360 7.814501 2.154261       11.51657 
1 1 1 -21 28 34 o 16.67495 7.180660 7.083535       21.23005 -24.77000      33.12998 29.27755       27.65415 15.70936 7.527373 22.13247 8.706880 -6.423111      11.50961 
1 1 1 -21 28 35 o 26.34509 8.323759 45.77085       24.01850 38.41611       28.79500 62.59000       43.54471 24.03712 9.029177 27.91476 10.94249 -3.877642      14.18676 
1 1 1 -21 28 36 o 18.58728 7.691672 15.36170       22.82665 38.11282       27.52918 -34.70000      40.83614 23.99094 8.864031 16.56923 8.041532 7.421709       11.96818 
1 1 1 -21 28 37 o 22.75845 8.171003 33.30657       23.15559 38.68861       27.79901 21.11000       41.84799 23.93191 8.895283 21.65162 9.672146 2.280293       13.14064 
1 1 1 -21 28 38 o 21.59185 8.154093 29.27902       23.55368 12.83914       28.38321 65.64000       42.21142 18.79741 8.197277 27.94587 10.82496 -9.148453      13.57848 
1 1 1 -21 28 39 o 32.09707 6.948789 63.45024       21.19745 37.76299       29.05314 92.68901       30.99658 23.30335 8.993018 36.81666 8.733889 -13.51331      12.53615 
1 1 1 -21 28 40 o 12.16515 5.975311 -35.52306      24.58872 -75.17000      50.83574 -23.41459      28.09369 15.80158 7.900495 14.18806 6.832759 1.613519       10.44531 
1 1 1 -21 29 1  o 20.08096 7.412496 20.51602       19.24353 31.68000       56.59218 19.05639       20.46288 26.40919 11.54461 19.87430 7.578173 6.534893       13.80966 
1 1 1 -21 29 2  o 24.05958 8.258022 33.45341       23.47053 14.21579       31.03399 59.16000       35.87436 20.81880 8.814461 30.14805 10.21239 -9.329248      13.49028 
1 1 1 -21 29 3  o 67.31776 4.759129 236.5347       31.15694 169.2737       39.00583 355.1000       51.78772 54.45765 7.517869 80.25842 6.651888 -25.80077      10.03823 
1 1 1 -21 29 4  o 27.14587 8.425084 44.40185       24.71895 21.93624       31.49158 80.46000       39.89671 22.24058 9.100854 34.55139 10.70025 -12.31082      14.04710 
1 1 1 -21 29 5  o 44.53441 4.898805 104.4599       21.00238 62.94150       34.14861 129.7193       26.63572 31.17718 9.934081 49.13560 5.640262 -17.95842      11.42359 
1 1 1 -21 29 6  o 41.31948 5.473321 91.63203       21.59274 6.902137       35.25968 142.4751       27.31341 20.50509 9.033265 51.62204 5.489570 -31.11695      10.57049 
1 1 1 -21 29 7  o 21.92164 7.968976 26.06866       22.10999 24.01000       58.05509 26.41791       23.91203 25.64215 11.42760 22.18733 8.249386 3.454815       14.09406 
1 1 1 -21 29 8  o 40.44456 6.256366 90.21284       23.96908 61.82000       57.55132 96.17133       26.36445 30.00470 12.29337 41.42870 6.732391 -11.42399      14.01613 
1 1 1 -21 29 9  f 33.23780 6.622802 62.29609       20.78977 34.40498       34.87105 77.67671       25.89518 24.81912 9.773117 36.58053 7.484550 -11.76140      12.30985 
1 1 1 -21 29 10 f 28.36768 7.260272 46.91318       20.24179 7.145989       31.88898 73.74854       26.19582 19.77690 8.655209 35.37718 7.777223 -15.60028      11.63606 
1 1 1 -21 29 11 o 21.08515 7.560892 24.05422       19.81999 10.09309       31.08349 33.61969       25.72898 20.05158 8.662015 24.06211 8.616189 -4.010530      12.21758 
1 1 1 -21 29 12 o 21.88601 7.619094 26.79181       20.00745 -18.13870      30.01600 62.71543       26.83936 16.09119 7.546959 32.02066 8.443952 -15.92947      11.32506 
1 1 1 -21 29 13 o 22.55434 7.725730 29.03129       20.53963 15.17230       30.22636 40.92088       27.99649 20.66705 8.722065 25.87603 9.012501 -5.208982      12.54191 
1 1 1 -21 29 14 o 33.67352 6.663785 64.33123       21.18635 39.57892       30.78011 86.61639       29.20588 25.52246 9.382714 38.04369 8.092050 -12.52124      12.39018 
1 1 1 -21 29 15 f 61.45061 4.227101 195.6974       25.27093 137.2539       35.82546 253.5767       35.65216 48.30290 7.846274 68.88898 5.328646 -20.58607      9.484645 
1 1 1 -21 29 16 o 23.89168 8.329394 33.94543       23.91643 41.65948       30.43906 21.50000       38.66292 25.83765 9.356295 22.74306 9.740242 3.094582       13.50602 
1 1 1 -21 29 17 o 19.37196 7.495586 18.15662       20.22240 10.92444       28.99934 25.00259       28.21439 19.56295 8.407920 22.04054 8.755538 -2.477589      12.13889 
1 1 1 -21 29 18 o 14.39566 6.509964 -4.783405      19.61776 -5.910519      28.23751 -3.731828      27.27492 16.86432 7.698067 16.89833 7.655465 -0.3400803E-01 10.85663 
1 1 1 -21 29 19 o 45.92433 6.733459 120.0316       29.36951 121.9000       38.71906 117.5000       45.07014 43.57163 9.357919 40.55846 11.05326 3.013168       14.48258 
1 1 1 -21 29 20 f 13.18407 6.165924 -13.24978      19.79749 -9.644567      28.08797 -16.80910      27.90866 16.30966 7.529951 15.43197 7.250246 0.8776903      10.45305 
1 1 1 -21 29 21 o 21.19334 7.676362 25.45340       20.49125 37.24340       28.75578 13.29007       29.20750 24.47664 9.056488 19.77646 8.467691 4.700182       12.39846 
1 1 1 -21 29 22 o 22.12763 8.009888 28.75810       22.30617 -9.959000      33.84398 58.49382       29.65987 17.57179 8.165613 29.58833 9.235997 -12.01654      12.32805 
1 1 1 -21 29 23 o 19.94231 7.950978 19.89524       23.35010 33.49053       27.75904 -13.00000      43.17941 23.37221 8.846362 19.03943 8.967830 4.332781       12.59683 
1 1 1 -21 29 24 o 23.28854 8.293758 33.44293       23.80667 36.32122       28.62104 26.98000       42.88778 24.00433 9.005016 23.23306 10.10474 0.7712612      13.53500 
1 1 1 -21 29 25 o 12.94375 6.092497 -14.27927      19.86831 -4.114123      28.10916 -24.42836      28.08693 16.75390 7.660155 14.50576 6.945350 2.248137       10.34001 
1 1 1 -21 29 26 f 53.43015 5.612175 157.7473       28.91343 48.97000       55.93030 197.4192       33.77687 26.29740 11.48671 59.49338 5.876904 -33.19598      12.90281 
1 1 1 -21 29 27 f 12.05235 5.771574 -20.26074      19.41249 -28.63505      27.75013 -12.23527      27.16601 14.02349 6.762873 15.51853 7.246256 -1.495048      9.911846 
1 1 1 -21 29 28 o 31.05752 6.955489 57.70154       20.61798 46.81248       29.79694 67.70453       28.55890 26.17813 9.283208 31.87464 8.843352 -5.696514      12.82119 
1 1 1 -21 29 29 o 30.00929 7.200883 54.71106       20.88128 44.57266       30.47385 63.68463       28.66983 25.59878 9.348037 30.72159 8.974395 -5.122814      12.95861 
1 1 1 -21 29 30 o 17.49935 7.456696 9.853464       22.45452 4.970059       28.90936 17.28000       35.65089 18.05056 8.052922 20.87057 9.142217 -2.820002      12.18317 
1 1 1 -21 29 31 o 26.10585 7.542855 42.62735       20.35330 47.09826       30.27500 38.94024       27.49344 26.10398 9.346540 24.32995 8.880009 1.774023       12.89234 
1 1 1 -21 29 32 o 13.71504 6.351247 -8.927197      20.20609 -53.06000      33.92376 15.33940       25.15519 13.84548 6.842030 19.03566 7.990668 -5.190187      10.51970 
1 1 1 -21 29 33 o 17.97829 7.627264 11.88087       23.31643 17.59441       28.57177 0.4899000      40.34269 19.86718 8.436489 19.40859 8.983106 0.4585972      12.32358 
1 1 1 -21 29 34 o 22.76162 8.218913 32.96009       23.46718 24.73482       28.38342 50.73000       41.71883 21.10283 8.638232 25.94031 10.52723 -4.837484      13.61769 
1 1 1 -21 29 35 o 15.67923 7.041346 0.3437472E-01  22.49905 -7.654294      26.95645 17.69000       40.84874 15.79555 7.322043 21.25687 9.521492 -5.461315      12.01129 
1 1 1 -21 29 36 o 16.12720 7.215144 1.989838       23.38077 12.44561       28.45306 -19.75000      41.02789 18.79253 8.201035 17.50821 8.385949 1.284321       11.72950 
1 1 1 -21 29 37 o 17.05198 7.366323 9.152603       22.48042 8.787465       26.75228 10.03000       41.46962 17.81487 7.857438 20.09967 9.232388 -2.284801      12.12338 
1 1 1 -21 29 38 o 17.53930 7.675234 9.810443       25.07151 39.27000       52.33816 1.037195       28.56180 23.48420 10.62528 16.92921 7.733198 6.554985       13.14150 
1 1 1 -21 29 39 o 26.94998 9.866611 58.39299       33.98126 70.20000       52.99736 50.15000       44.28195 26.67693 11.41392 24.59704 10.47598 2.079884       15.49270 
1 1 1 -21 30 1  o 47.01402 4.770377 116.2703       21.64904 -30.73000      57.40850 140.6406       23.37479 20.85650 9.970795 51.82359 4.657650 -30.96708      11.00502 
1 1 1 -21 30 2  o 41.03083 5.204147 89.94115       20.43145 30.87000       57.01259 98.64533       21.88503 26.04830 11.48047 42.91112 5.324572 -16.86282      12.65513 
1 1 1 -21 30 3  o 46.29546 4.754432 112.7395       21.23899 29.43000       58.16106 125.5585       22.81460 25.97834 11.51563 48.81811 4.838049 -22.83977      12.49066 
1 1 1 -21 30 4  o 44.63566 6.383377 110.4915       27.09616 75.37000       58.43058 120.1136       30.58343 31.59002 12.58328 46.03630 7.007844 -14.44629      14.40308 
1 1 1 -21 30 5  o 38.20960 9.370070 92.48618       34.77231 100.1000       58.51605 88.33000       43.23349 35.35221 12.94673 35.37662 11.16625 -0.2440262E-01 17.09687 
1 1 1 -21 30 6  o 15.96672 7.226446 -5.177547      24.23349 -1.040359      29.82215 -13.22000      41.57963 18.09067 8.116890 19.34895 9.011496 -1.258284      12.12811 
1 1 1 -21 30 7  o 29.54925 7.117281 50.73325       20.33946 17.96820       32.56557 71.68906       26.04387 21.51591 9.065320 34.73166 7.846487 -13.21574      11.98947 
1 1 1 -21 30 8  o 55.74680 5.149611 165.2240       27.78217 40.60000       62.28370 196.1793       31.04139 27.26207 12.00807 60.65300 5.281171 -33.39093      13.11810 
1 1 1 -21 30 9  o 16.14994 7.137396 0.1950150      22.17954 82.08000       56.34683 -14.81854      24.12732 32.46584 12.52532 14.61366 6.825457 17.85218       14.26431 
1 1 1 -21 30 10 f 19.39765 7.919161 15.22140       23.77647 -9.445000      55.41468 20.78700       26.32255 21.92599 10.27420 21.00144 8.418730 0.9245491      13.28285 
1 1 1 -21 30 11 o 16.31959 6.963631 5.432909       19.63120 -25.71922      29.79844 29.32151       26.09427 15.17186 7.233933 22.83107 8.591223 -7.659211      11.23116 
1 1 1 -21 30 12 o 25.47010 7.523906 38.71050       20.05577 42.51047       30.30339 35.74870       26.75346 26.00070 9.345920 24.37049 8.778727 1.630217       12.82233 
1 1 1 -21 30 13 o 18.49319 7.341673 15.00351       19.82578 -12.20684      28.92824 39.10397       27.22498 16.30889 7.568663 25.19224 8.879020 -8.883350      11.66712 
1 1 1 -21 30 14 o 17.93917 7.541333 9.995136       22.45644 4.303959       29.18848 18.25000       35.15324 18.52230 8.186755 21.69992 9.290435 -3.177624      12.38286 
1 1 1 -21 30 15 f 20.48853 8.027119 21.11964       23.42210 -18.78316      29.67607 87.04000       38.14297 15.73825 7.419559 35.41360 10.35321 -19.67535      12.73730 
1 1 1 -21 30 16 o 53.49869 4.755053 151.5916       24.64116 112.6406       35.26734 188.7430       34.44300 42.41228 8.784461 58.33927 6.122743 -15.92699      10.70770 
1 1 1 -21 30 17 o 30.95710 8.719827 61.20459       27.54294 42.55000       36.46340 85.99000       42.03028 25.79282 10.04145 34.22332 11.03283 -8.430508      14.91824 
1 1 1 -21 30 18 o 29.01257 9.325053 56.06005       30.04076 0.000000       0.000000 56.06005       30.04076 ?        ?        29.01257 9.325053 ?              ?        
1 1 1 -21 30 19 o 19.64000 7.552925 19.92776       20.44266 29.42048       29.11718 10.70014       28.70773 22.68473 8.931149 19.18887 8.306891 3.495857       12.19713 
1 1 1 -21 30 20 o 27.56878 7.503438 46.54153       20.78548 28.82615       28.90067 65.52328       29.91581 22.44254 8.878556 31.28007 9.175593 -8.837524      12.76794 
1 1 1 -21 30 21 o 19.27015 7.495802 18.98459       20.30549 40.74427       28.25521 -4.255780      29.20073 25.00911 9.020062 17.03700 7.796340 7.972107       11.92243 
1 1 1 -21 30 22 o 30.65598 7.276317 56.86946       21.50485 46.45122       29.64328 68.44381       31.24477 26.26673 9.264351 31.59949 9.405290 -5.332762      13.20181 
1 1 1 -21 30 23 o 18.50018 7.427876 15.97844       20.52522 6.362491       28.38657 26.51397       29.71291 18.23477 8.065938 21.85879 8.879312 -3.624020      11.99590 
1 1 1 -21 30 24 o 18.67534 7.657710 15.35991       22.35387 14.51000       34.15687 15.99665       29.56440 20.40713 8.943653 19.96331 8.532793 0.4438190      12.36113 
1 1 1 -21 30 25 o 24.72065 8.388528 39.20575       24.20556 39.76092       28.92993 37.91000       44.19757 24.64605 9.090166 24.58382 10.46802 0.6222343E-01  13.86401 
1 1 1 -21 30 26 o 38.69007 5.957885 84.73865       21.84003 26.60593       29.58484 154.3601       32.37654 21.78043 8.855464 51.69883 6.544393 -29.91841      11.01128 
1 1 1 -21 30 27 o 19.59199 7.452127 20.99209       19.75718 -3.953863      27.55279 47.39469       28.34582 16.54488 7.571898 26.39163 9.074666 -9.846750      11.81876 
1 1 1 -21 30 28 o 27.60028 8.099034 49.22956       23.30415 32.74730       28.86741 80.07000       39.48750 22.90037 8.929077 32.11921 10.71311 -9.218843      13.94630 
1 1 1 -21 30 29 o 27.20686 8.143476 48.00321       23.37281 43.66425       29.12009 55.86000       39.18522 25.33607 9.154531 27.21155 10.45900 -1.875477      13.89950 
1 1 1 -21 30 30 o 20.80939 7.547665 25.60157       19.81887 37.55911       28.87922 14.95666       27.24807 23.90654 9.028817 19.27126 8.213015 4.635286       12.20546 
1 1 1 -21 30 31 o 13.85838 6.402311 -8.032872      20.35238 2.289000       33.07657 -14.32188      25.81857 18.40285 8.373763 14.75522 6.945138 3.647629       10.87910 
1 1 1 -21 30 32 o 14.77337 6.780192 -5.676883      22.30206 4.639945       26.88877 -28.42000      39.92297 17.43534 7.773215 16.77822 8.096404 0.6571198      11.22384 
1 1 1 -21 30 33 o 23.20653 8.099361 34.60563       22.61712 42.81778       26.97130 15.15000       41.51415 25.07745 8.837643 21.02925 9.493659 4.048204       12.97049 
1 1 1 -21 30 34 o 28.20318 8.046203 52.33068       23.30101 39.25446       27.71867 83.83000       43.02113 23.98783 8.888729 31.38659 11.15215 -7.398762      14.26113 
1 1 1 -21 30 35 o 17.53262 7.511961 11.02409       23.01460 17.17890       27.79719 -2.391000      41.03841 19.38877 8.280170 18.88207 8.845847 0.5067005      12.11653 
1 1 1 -21 30 36 o 19.48150 7.459155 22.22824       19.87862 6.690592       27.57345 39.04351       28.68471 17.55933 7.847088 23.55266 8.974375 -5.993324      11.92125 
1 1 1 -21 30 37 f 16.23889 7.335452 2.248672       24.82810 80.02000       52.19767 -20.49195      28.22556 28.02659 11.61754 14.43220 6.923986 13.59439       13.52438 
1 1 1 -21 31 1  o 28.72566 7.083680 48.33342       19.79043 8.936000       57.51251 53.62502       21.07762 23.57358 10.84432 30.19856 7.227188 -6.624981      13.03194 
1 1 1 -21 31 2  o 27.32287 7.209675 44.04726       19.55853 -16.38000      54.92882 52.82098       20.93032 21.19175 10.02181 29.96659 7.221262 -8.774841      12.35246 
1 1 1 -21 31 3  o 36.15572 5.936522 72.34898       20.28096 109.5000       57.20162 67.00735       21.69003 36.43668 12.86774 34.23358 6.712946 2.203106       14.51352 
1 1 1 -21 31 4  o 14.15809 6.377597 -4.145351      18.61592 -29.52000      53.40051 -0.6350018     19.86189 19.98650 9.571439 15.20334 6.734905 4.783154       11.70348 
1 1 1 -21 31 5  o 34.22425 8.275831 71.95588       27.41649 105.9000       57.53315 61.98301       31.18501 35.69289 12.87150 30.71366 9.451215 4.979231       15.96875 
1 1 1 -21 31 6  o 65.03912 5.070233 225.1560       32.02330 142.0000       62.57602 254.6604       37.27392 40.84597 13.48170 68.59279 5.600331 -27.74681      14.59862 
1 1 1 -21 31 7  o 21.11799 8.341819 22.45086       25.47646 -79.10000      56.60782 48.24397       28.52899 17.73128 8.776059 27.43665 9.104780 -9.705376      12.64580 
1 1 1 -21 31 8  o 24.36116 7.673628 35.50016       20.42748 -40.98000      58.20108 46.24524       21.81531 19.99268 9.678635 27.62986 7.752533 -7.637182      12.40071 
1 1 1 -21 31 9  o 55.67061 5.294826 166.6339       28.50555 79.37000       62.12437 189.9062       32.08222 31.12028 12.76391 59.13790 5.609396 -28.01762      13.94212 
1 1 1 -21 31 10 o 31.66051 8.277271 62.26906       25.93518 55.32000       59.82886 63.87704       28.77982 28.11532 12.08009 31.51398 8.926190 -3.398657      15.02017 
1 1 1 -21 31 11 o 36.23643 7.707562 78.81263       26.49666 79.27000       60.13758 78.70245       29.51606 30.96510 12.61219 35.37416 8.607438 -4.409067      15.26942 
1 1 1 -21 31 12 o 24.03328 7.847289 34.93651       21.22447 30.98492       30.56618 38.61583       29.49438 23.26901 9.153881 24.87066 9.177466 -1.601656      12.96223 
1 1 1 -21 31 13 o 16.75506 7.335431 3.452372       22.92405 -1.478115      29.36177 11.15000       36.68730 17.64721 7.973852 20.77234 9.179932 -3.125130      12.15950 
1 1 1 -21 31 14 o 16.84256 7.140013 7.609751       20.40639 8.746933       29.34852 6.545397       28.39318 19.08557 8.328997 18.54810 8.140821 0.5374699      11.64668 
1 1 1 -21 31 15 o 12.46326 6.066584 -32.57731      23.70504 -48.83345      28.88165 0.9793000      41.49561 12.88653 6.357859 20.21684 9.267320 -7.330314      11.23858 
1 1 1 -21 31 16 f 27.39431 9.429848 50.58252       30.61083 0.000000       0.000000 50.58252       30.61083 ?        ?        27.39431 9.429848 ?              ?        
1 1 1 -21 31 17 o 18.29125 7.443478 14.37865       20.92459 -9.674750      30.16291 36.69295       29.05203 16.64713 7.726616 24.09974 9.065825 -7.452608      11.91175 
1 1 1 -21 31 18 o 22.41264 7.819349 30.44281       21.07919 19.63677       29.84717 41.19590       29.77393 20.68789 8.695359 25.01971 9.222892 -4.331818      12.67561 
1 1 1 -21 31 19 o 30.16175 7.320014 55.27591       21.38947 55.04870       30.25203 55.50303       30.24653 28.30397 9.375113 28.41960 9.372675 -0.1156349     13.25669 
1 1 1 -21 31 20 o 12.35181 5.896497 -19.17759      19.92455 -35.37076      27.61209 -1.586509      28.77927 13.38558 6.522663 17.19904 7.820097 -3.813464      10.18327 
1 1 1 -21 31 21 o 36.08543 6.555552 75.79728       22.30252 57.48500       30.93969 95.60445       32.17777 28.65316 9.480705 38.28444 8.774829 -9.631271      12.91826 
1 1 1 -21 31 22 o 17.73491 7.328786 12.55853       20.68444 28.83787       28.79269 -4.803181      29.73447 22.21976 8.838930 17.00494 7.813390 5.214817       11.79728 
1 1 1 -21 31 23 o 21.77979 7.813614 28.50126       21.16978 31.76486       29.80267 25.17744       30.07640 22.86372 9.025156 21.60516 8.873362 1.258558       12.65662 
1 1 1 -21 31 24 o 25.82383 7.826778 42.38947       21.49249 41.39862       30.31271 43.39115       30.47790 24.78736 9.273805 25.22460 9.325451 -0.4372444     13.15171 
1 1 1 -21 31 25 o 50.04020 4.974866 135.8059       24.04487 96.24581       33.71105 176.7746       34.30593 37.75686 9.205922 55.40276 6.446285 -17.64590      11.23849 
1 1 1 -21 31 26 o 19.30382 7.717689 18.98322       22.06095 -0.9923000E-01 34.45792 32.23802       28.71830 18.41392 8.442389 22.74153 8.894731 -4.327616      12.26337 
1 1 1 -21 31 27 o 23.33712 8.382578 34.89307       24.37336 23.50053       29.90143 57.45000       42.07477 21.10952 8.775292 27.22056 10.73016 -6.111040      13.86154 
1 1 1 -21 31 28 o 35.02422 6.630669 72.29205       21.89955 68.68559       30.91818 75.92308       31.02338 31.25793 9.368510 33.15042 9.224450 -1.892483      13.14760 
1 1 1 -21 31 29 o 17.27511 7.189673 11.60461       20.10534 -21.71548      28.61601 44.08681       28.25392 14.76314 7.052798 25.37700 9.035514 -10.61386      11.46222 
1 1 1 -21 31 30 o 20.54640 7.784355 24.80684       21.50648 39.04000       34.96663 16.14623       27.27578 23.95909 9.668525 19.33957 8.228813 4.619518       12.69621 
1 1 1 -21 31 31 o 28.15508 7.444490 49.88245       20.82601 33.38881       29.32483 66.66633       29.58172 22.78737 8.965568 30.83035 9.145424 -8.042976      12.80704 
1 1 1 -21 31 32 o 21.59818 8.084458 28.98883       23.04181 42.12640       27.77630 -0.1655000E-02 41.26148 24.70179 8.938704 19.28921 8.981413 5.412586       12.67147 
1 1 1 -21 31 33 o 19.72676 7.845059 21.79755       22.67562 21.59785       27.13357 22.26000       41.28992 20.11493 8.360348 21.50267 9.606395 -1.387733      12.73492 
1 1 1 -21 31 34 o 21.56103 8.227591 29.79290       24.13207 29.24091       29.32865 30.95000       42.46300 21.57988 8.800893 22.43653 9.897457 -0.8566513     13.24445 
1 1 1 -21 31 35 o 12.39695 6.049762 -30.11816      24.00057 31.66000       51.06765 -47.63198      27.19060 22.58060 10.32448 12.07050 5.993055 10.51009       11.93782 
1 1 1 -21 31 36 o 18.13991 7.758928 14.40953       24.47638 17.45000       51.16982 13.50745       27.87182 21.20967 9.917233 18.47420 8.088230 2.735470       12.79730 
1 1 1 -21 32 1  o 55.41803 4.450613 161.3060       23.93939 50.35000       61.25354 181.3092       26.00793 27.37439 11.98752 58.66771 4.564881 -31.29332      12.82726 
1 1 1 -21 32 2  o 47.67491 5.012211 121.7645       23.04031 -0.5063000     58.27952 144.4149       25.08378 22.52105 10.54769 51.96839 4.992487 -29.44734      11.66956 
1 1 1 -21 32 3  o 22.24159 7.688074 29.01485       20.35471 -46.10000      55.46990 40.70313       21.88112 19.07039 9.282077 25.72913 7.916692 -6.658733      12.19963 
1 1 1 -21 32 4  o 23.97714 8.620777 35.13034       25.78527 -17.53000      54.79230 50.11027       29.22352 20.79523 9.885155 27.63208 9.216198 -6.836851      13.51498 
1 1 1 -21 32 5  o 71.93942 4.243067 269.6947       29.74542 0.000000       0.000000 269.6947       29.74542 ?        ?        71.93942 4.243067 ?              ?        
1 1 1 -21 32 6  o 14.57850 6.610227 -4.927810      20.38861 -44.58000      55.29614 1.311187       21.93404 19.12248 9.298366 16.09235 7.105496 3.030128       11.70247 
1 1 1 -21 32 7  o 21.11596 8.335617 23.17649       25.42369 -5.595000      57.28963 30.23214       28.37027 21.99596 10.35088 22.92113 8.875604 -0.9251614     13.63514 
1 1 1 -21 32 8  o 33.61696 8.265635 70.42537       27.00468 25.78000       59.22756 82.14248       30.34211 24.77593 11.24680 35.96362 8.712316 -11.18769      14.22656 
1 1 1 -21 32 9  o 35.34587 6.894049 72.72934       22.99477 3.308000       59.76578 84.79143       24.91249 22.87235 10.70222 38.21229 6.915016 -15.33994      12.74186 
1 1 1 -21 32 10 o 41.34569 5.968008 95.45444       23.45447 22.25000       60.08916 108.6122       25.47527 24.33719 11.15454 44.04587 6.070144 -19.70868      12.69923 
1 1 1 -21 32 11 o 27.91706 8.410179 49.85826       24.86923 114.5000       59.66061 36.26399       27.35956 35.52491 13.06233 24.08950 8.847685 11.43540       15.77675 
1 1 1 -21 32 12 o 31.51059 9.771095 69.10108       33.25648 42.46000       61.28598 80.22000       39.59282 26.07204 11.67165 32.84953 10.71737 -6.777489      15.84580 
1 1 1 -21 32 13 o 17.37341 8.143925 -13.00569      34.87177 -98.25000      57.17785 37.48000       44.00269 16.64570 8.330897 24.69207 10.47687 -8.046368      13.38539 
1 1 1 -21 32 14 o 29.16604 9.497544 59.03772       31.10052 0.000000       0.000000 59.03772       31.10052 ?        ?        29.16604 9.497544 ?              ?        
1 1 1 -21 32 15 o 43.58840 7.876562 116.5874       32.36922 0.000000       0.000000 116.5874       32.36922 ?        ?        43.58840 7.876562 ?              ?        
1 1 1 -21 32 16 o 17.07819 7.169485 9.859802       20.25283 10.06445       27.65290 9.623021       29.74505 18.67289 8.117714 18.99158 8.334013 -0.3186855     11.63413 
1 1 1 -21 32 17 o 13.89012 6.387978 -7.309896      19.93743 0.3738257      26.78879 -16.85042      29.85062 16.97047 7.646954 15.67434 7.405165 1.296128       10.64483 
1 1 1 -21 32 18 o 18.18347 7.349261 15.08433       20.23825 8.991543       27.89459 21.85606       29.40775 18.47030 8.088898 20.87033 8.691380 -2.400036      11.87309 
1 1 1 -21 32 19 o 28.96536 7.551898 52.14881       21.62783 22.38099       30.14481 83.72696       31.04791 21.05846 8.786992 35.47709 8.944469 -14.41864      12.53853 
1 1 1 -21 32 20 o 16.77803 7.163822 7.957645       20.79982 8.513391       29.09889 7.377046       29.74244 18.64557 8.210454 18.59877 8.240171 0.4680252E-01  11.63237 
1 1 1 -21 32 21 o 14.83210 6.704731 -2.751951      20.78537 -18.84887      29.26101 13.64311       29.53075 15.27459 7.250199 19.45198 8.422952 -4.177388      11.11357 
1 1 1 -21 32 22 o 30.80544 7.358276 58.46477       21.88217 17.34158       30.40401 102.6572       31.51818 20.12336 8.628279 40.09541 8.304276 -19.97205      11.97532 
1 1 1 -21 32 23 o 23.61575 7.888326 35.30896       21.40778 23.21104       30.03014 47.80995       30.52631 21.08462 8.781924 26.16457 9.383237 -5.079954      12.85174 
1 1 1 -21 32 24 o 17.25924 7.269243 10.67627       20.92773 29.71246       29.89133 -7.626443      29.30980 22.22504 8.949733 16.42901 7.622344 5.796032       11.75576 
1 1 1 -21 32 25 o 24.46179 7.980228 38.48093       21.95203 -7.497720      29.88949 92.32607       32.34549 16.57892 7.693773 37.03502 9.009934 -20.45610      11.84791 
1 1 1 -21 32 26 o 16.54940 7.332323 3.596253       23.55079 8.045350       28.72540 -5.526000      41.13213 18.34180 8.113578 18.93115 8.864683 -0.5893459     12.01719 
1 1 1 -21 32 27 o 17.31878 7.247437 11.45136       20.59537 -25.53409      29.00270 49.07384       29.25140 14.49476 6.970742 26.44291 9.212129 -11.94815      11.55225 
1 1 1 -21 32 28 o 24.51277 8.076791 39.34565       22.46265 6.018000       35.37766 61.85699       29.07552 19.09195 8.676688 29.62870 9.127499 -10.53676      12.59350 
1 1 1 -21 32 29 o 25.39190 8.239436 42.88329       23.41795 41.96394       29.26503 44.52000       39.04749 24.58564 9.128993 24.76330 10.13368 -0.1776657     13.63928 
1 1 1 -21 32 30 o 17.03914 7.133991 11.14659       19.97078 44.91008       27.77190 -25.00884      28.73880 25.38290 8.965865 14.39842 6.928133 10.98448       11.33074 
1 1 1 -21 32 31 o 31.05458 7.941668 63.01675       24.23282 58.70922       29.09149 72.78000       43.79741 28.48810 9.178403 28.86389 11.06675 -0.3757915     14.37762 
1 1 1 -21 32 32 o 18.84617 7.845769 17.54918       23.95207 -2.929012      29.21220 59.56000       41.84071 16.63846 7.680834 26.56622 10.62608 -9.927752      13.11140 
1 1 1 -21 32 33 o 20.87547 8.224235 27.42985       24.70459 31.92543       30.80674 19.33000       41.35150 21.94549 8.993156 20.78333 9.419749 1.162161       13.02338 
1 1 1 -21 32 34 o 18.54472 7.847786 16.82210       24.58023 52.81000       50.80968 5.826314       28.08544 24.51441 10.81980 17.32020 7.814902 7.194204       13.34694 
1 1 1 -21 32 35 o 21.78310 10.12777 27.68000       52.16613 27.68000       52.16613 0.000000       0.000000 21.78310 10.12777 ?        ?        ?              ?        
1 1 1 -21 33 1  o 32.63755 6.918579 62.78128       21.41541 39.67000       57.36251 66.52418       23.08450 25.62969 11.39446 33.31954 7.281918 -7.689844      13.52257 
1 1 1 -21 33 2  o 34.63957 6.696062 69.78287       21.88230 75.96000       57.45935 68.73501       23.66563 29.90458 12.27142 33.81556 7.359324 -3.910980      14.30900 
1 1 1 -21 33 3  o 34.72850 6.765403 70.38082       22.17067 118.9000       57.91445 62.04941       23.99881 36.38094 12.93801 31.69689 7.791156 4.684052       15.10279 
1 1 1 -21 33 4  o 31.05466 7.326223 58.24097       21.90696 32.41000       57.45512 62.63512       23.69713 24.85951 11.20061 31.94155 7.675221 -7.082039      13.57802 
1 1 1 -21 33 5  o 25.70065 7.783448 41.12827       21.26086 41.24000       56.31690 41.10970       22.95988 25.66122 11.35550 25.48999 8.148245 0.1712341      13.97645 
1 1 1 -21 33 6  o 19.02126 8.089985 13.09343       26.34407 -14.04000      56.26593 20.71157       29.81384 20.85855 9.943942 20.90845 8.732573 -0.4990387E-01 13.23404 
1 1 1 -21 33 7  o 54.38198 4.695613 157.7678       24.75042 49.52000       60.52213 179.5066       27.12204 26.50314 11.74772 57.89009 4.830417 -31.38695      12.70204 
1 1 1 -21 33 8  o 16.75959 7.527212 0.3415519      25.71769 28.97000       55.94316 -7.329853      28.95913 24.21003 10.96628 16.55097 7.642951 7.659065       13.36690 
1 1 1 -21 33 9  o 21.76675 9.006761 25.24324       31.29659 73.98000       57.53945 4.767000       37.29602 29.18122 12.15531 19.64578 8.920693 9.535433       15.07748 
1 1 1 -21 33 10 o 56.79306 6.854521 188.0708       37.33492 164.2000       61.64359 201.9000       46.91937 42.64703 13.31548 56.10531 8.835528 -13.45828      15.98026 
1 1 1 -21 33 11 o 17.38589 7.648600 5.398240       25.19787 -44.69000      52.42734 20.44426       28.73431 18.23199 8.906842 20.60654 8.587178 -2.374552      12.37221 
1 1 1 -21 33 12 o 32.78423 8.774276 71.13311       28.71130 -4.138000      56.15219 97.77807       33.40874 21.32640 10.09952 38.41325 9.037310 -17.08685      13.55261 
1 1 1 -21 33 13 o 40.74445 8.668440 107.4595       33.50792 0.000000       0.000000 107.4595       33.50792 ?        ?        40.74445 8.668440 ?              ?        
1 1 1 -21 33 14 o 39.21670 7.783172 95.22652       28.82220 -50.17000      54.81672 150.7809       33.88403 18.19633 8.934502 50.42824 7.057581 -32.23190      11.38573 
1 1 1 -21 33 15 o 23.41179 7.910886 34.47200       21.52624 53.53000       51.50984 30.43933       23.69452 26.47580 11.28811 22.26320 8.223917 4.212591       13.96618 
1 1 1 -21 33 16 o 21.45590 7.879982 27.49120       21.70156 17.78000       51.83503 29.55516       23.89670 22.60921 10.36164 22.05990 8.237964 0.5493088      13.23736 
1 1 1 -21 33 17 o 11.81206 5.741509 -28.04211      21.03006 -38.71000      52.12737 -25.96826      22.98348 18.43673 8.979133 12.69899 6.131699 5.737734       10.87302 
1 1 1 -21 33 18 o 18.88185 7.689556 16.88384       22.35085 -12.77000      53.34882 23.19692       24.61530 20.19805 9.643897 20.54964 8.173253 -0.3515968     12.64147 
1 1 1 -21 33 19 o 41.78979 5.882476 98.89366       23.39724 84.70000       55.12340 102.0127       25.84045 30.20534 12.15701 41.83225 6.523514 -11.62691      13.79671 
1 1 1 -21 33 20 o 28.17923 7.805628 50.61773       22.26923 5.730000       52.48601 60.47253       24.59256 21.43972 10.03104 30.62157 8.086473 -9.181852      12.88459 
1 1 1 -21 33 21 o 34.31548 7.002743 70.94504       22.72427 29.43000       52.87165 80.35174       25.16743 23.52637 10.65836 36.23938 7.346778 -12.71301      12.94510 
1 1 1 -21 33 22 o 19.11567 7.610289 18.86370       21.36127 92.42000       52.97773 4.583178       23.34294 31.51286 12.14841 16.65150 7.342199 14.86136       14.19478 
1 1 1 -21 33 23 f 24.46698 7.936136 38.59756       21.72685 -2.797000      52.92100 46.98920       23.82756 20.70877 9.806316 26.66377 8.271177 -5.955006      12.82873 
1 1 1 -21 33 24 o 15.36669 7.044344 -4.880334      23.97952 -20.62000      51.92238 -0.6130328     27.03544 19.30940 9.296553 16.72356 7.594303 2.585840       12.00414 
1 1 1 -21 33 25 o 19.60637 7.687187 21.07375       21.49375 38.25000       52.04512 17.54187       23.60035 24.22532 10.80651 19.07332 7.849699 5.152008       13.35659 
1 1 1 -21 33 26 o 20.83381 7.679084 26.30086       20.63964 -35.86000      52.27130 37.78257       22.46509 18.27729 8.921292 24.00694 8.081531 -5.729649      12.03747 
1 1 1 -21 33 27 o 30.37896 7.753811 59.21403       23.13108 0.000000       0.000000 59.21403       23.13108 ?        ?        30.37896 7.753811 ?              ?        
1 1 1 -21 33 28 o 21.09756 7.564375 27.38946       19.83756 36.26000       51.88636 25.87083       21.46860 23.77309 10.68323 20.71351 7.793013 3.059584       13.22355 
1 1 1 -21 33 29 o 19.05782 7.474093 20.12776       20.32320 -46.52000      51.65438 32.33438       22.10610 17.41557 8.575124 22.31640 7.987091 -4.900826      11.71863 
1 1 1 -21 33 30 o 17.94034 7.464235 14.81213       21.66063 0.000000       0.000000 14.81213       21.66063 ?        ?        17.94034 7.464235 ?              ?        
1 1 1 -21 33 31 o 19.53881 8.727184 15.05793       34.05867 -19.97000      51.50883 42.27000       45.39994 18.64050 9.043193 23.61098 10.33035 -4.970484      13.72937 
1 1 1 -21 33 32 o 19.98336 8.367354 23.17749       27.47633 18.22000       52.60534 25.03731       32.22065 21.20772 9.960721 20.61926 8.862271 0.5884552      13.33251 
1 1 1 -21 33 33 o 14.51836 6.622081 -1.978873      20.84350 10.70000       51.13276 -4.505517      22.82606 20.40231 9.654675 14.69255 6.785038 5.709756       11.80040 
1 1 1 -21 34 1  o 33.90371 6.597285 67.28148       21.10554 -12.91000      51.96598 83.12204       23.09620 20.14825 9.591575 37.89244 6.458420 -17.74418      11.56328 
1 1 1 -21 34 2  o 16.83187 7.165091 8.370924       20.69628 -29.31000      52.29211 15.36971       22.53651 19.07722 9.220598 18.66051 7.674316 0.4167080      11.99644 
1 1 1 -21 34 3  o 23.43710 7.863935 34.37542       21.27270 -16.84000      52.94818 44.23359       23.22999 19.98701 9.560677 26.17579 8.174253 -6.188774      12.57875 
1 1 1 -21 34 4  f 32.72869 6.970236 64.07104       21.64495 29.78000       53.24302 70.86028       23.69098 23.89598 10.77295 34.16221 7.306013 -10.26623      13.01669 
1 1 1 -21 34 5  o 14.21263 6.490510 -5.386537      20.10210 -19.35000      52.55238 -2.993247      21.75673 19.71910 9.457102 15.10016 6.839437 4.618942       11.67110 
1 1 1 -21 34 6  o 16.94401 7.198442 8.944442       20.81745 -21.92000      53.61903 14.42258       22.58948 19.67725 9.466913 18.43083 7.641508 1.246428       12.16614 
1 1 1 -21 34 7  o 20.78856 7.813086 25.10244       21.56708 -7.202000      53.40232 31.39827       23.57520 20.64863 9.799154 22.48945 8.220634 -1.840815      12.79071 
1 1 1 -21 34 8  o 17.14838 7.494799 6.397603       23.84120 -7.906000      53.74585 9.901680       26.60168 20.61186 9.795785 18.31348 7.961690 2.298374       12.62323 
1 1 1 -21 34 9  o 19.28246 8.576862 9.425066       32.54211 18.97000       53.47394 3.811000       41.01045 22.74530 10.46087 19.92272 9.162102 2.822588       13.90589 
1 1 1 -21 34 10 o 32.18656 10.36761 78.15061       37.11979 10.96000       54.72681 135.4000       50.51626 22.17349 10.33084 40.56136 11.93021 -18.38787      15.78151 
1 1 1 -21 34 11 o 18.01668 8.100657 3.595626       29.87642 0.000000       0.000000 3.595626       29.87642 ?        ?        18.01668 8.100657 ?              ?        
1 1 1 -21 34 12 o 32.31094 8.110060 66.80051       25.60684 0.000000       0.000000 66.80051       25.60684 ?        ?        32.31094 8.110060 ?              ?        
1 1 1 -21 34 13 f 22.72437 8.050312 32.27633       22.40304 -25.44000      53.75800 44.40669       24.64510 19.43941 9.384170 25.95149 8.454859 -6.512085      12.63120 
1 1 1 -21 34 14 o 29.59746 8.872620 59.59124       27.72962 0.7630000      54.36515 80.27822       32.23860 21.27230 10.03273 33.97181 9.384585 -12.69951      13.73777 
1 1 1 -21 34 15 o 20.72867 8.419436 23.46200       26.71184 66.60000       52.71661 8.560202       30.98395 27.81894 11.61489 18.82163 8.370619 8.997311       14.31688 
1 1 1 -21 34 16 o 16.99510 7.288791 8.599545       21.70669 -15.76000      50.87400 14.02129       24.00108 19.54288 9.354505 18.49329 7.786621 1.049589       12.17120 
1 1 1 -21 34 17 o 20.76972 7.966465 25.13352       22.70151 -10.62000      51.69954 33.67397       25.26781 20.02784 9.543437 22.94042 8.489223 -2.912573      12.77279 
1 1 1 -21 34 18 o 29.57892 7.998168 56.61213       23.70826 -28.68000      52.75780 78.19456       26.53887 18.90949 9.168635 35.09534 7.914827 -16.18585      12.11232 
1 1 1 -21 34 19 o 15.76955 7.046730 1.084890       22.23125 84.43000       53.79004 -16.08439      24.41394 30.04359 12.03764 14.10080 6.672274 15.94279       13.76314 
1 1 1 -21 34 20 o 15.29798 6.880577 -0.7085412     21.57473 -17.72000      52.38899 2.765717       23.67556 19.53816 9.389098 16.40545 7.305295 3.132713       11.89632 
1 1 1 -21 34 21 o 21.85000 7.980536 29.71746       22.21161 -43.01000      52.44713 45.61245       24.51900 17.98931 8.813601 26.08202 8.428297 -8.092709      12.19491 
1 1 1 -21 34 22 o 41.32600 6.059185 98.03562       23.78227 109.4000       54.73565 95.39092       26.40494 33.65223 12.48687 39.78275 7.038319 -6.130516      14.33387 
1 1 1 -21 34 23 o 27.88663 8.719890 53.67639       26.42573 22.73000       53.13081 63.84810       30.46060 22.57611 10.39908 29.71996 9.371684 -7.143854      13.99891 
1 1 1 -21 34 24 o 14.18723 6.536328 -6.447728      21.00598 -7.215000      50.59463 -6.287921      23.09013 19.84228 9.451056 14.83117 6.840162 5.011108       11.66663 
1 1 1 -21 34 25 o 18.39128 7.711209 14.88498       23.38453 0.000000       0.000000 14.88498       23.38453 ?        ?        18.39128 7.711209 ?              ?        
1 1 1 -21 34 26 o 26.09844 7.869919 44.75866       21.76911 -87.84000      54.70293 69.70894       23.72896 16.10268 8.072042 33.28477 7.467453 -17.18208      10.99640 
1 1 1 -21 34 27 o 15.65806 6.901536 4.050016       20.60662 -9.529000      50.17068 6.805665       22.60101 19.38847 9.283016 16.61466 7.278512 2.773808       11.79623 
1 1 1 -21 34 28 o 18.92914 7.519307 19.87481       20.80883 51.20000       51.18107 13.67126       22.77628 24.77831 10.90073 17.84854 7.553802 6.929766       13.26220 
1 1 1 -21 34 29 o 24.21840 7.881238 39.62492       21.41763 -49.85000      52.47742 57.50750       23.46048 17.09126 8.457582 29.21587 7.979876 -12.12461      11.62794 
1 1 1 -21 34 30 o 21.47294 8.524064 31.04761       26.72434 -2.086000      52.19769 42.81820       31.11115 19.62856 9.416695 23.75958 9.268018 -4.131023      13.21251 
1 1 1 -21 34 31 o 21.26306 8.464479 30.25647       26.42342 43.75000       51.82082 25.51556       30.71655 23.33394 10.56346 20.52251 8.732293 2.811428       13.70546 
1 1 1 -21 35 1  o 38.08489 6.243387 83.51159       22.46869 23.64000       54.49391 95.77480       24.66265 23.23308 10.63877 40.67041 6.406958 -17.43733      12.41904 
1 1 1 -21 35 2  o 36.99774 6.508241 79.87233       22.70906 -66.43000      52.57780 113.4240       25.17871 16.97974 8.413643 44.82565 5.880182 -27.84590      10.26479 
1 1 1 -21 35 3  o 17.20548 7.249962 10.36201       20.83228 -48.94000      51.07720 22.19527       22.81626 17.61515 8.644112 20.14150 7.913212 -2.526352      11.71920 
1 1 1 -21 35 4  o 23.23529 7.847061 33.98607       21.18024 19.39000       52.04050 36.88384       23.18759 22.64989 10.38099 23.94242 8.208409 -1.292534      13.23415 
1 1 1 -21 35 5  o 21.61058 7.816463 28.33995       21.23643 81.84000       54.92152 18.93483       23.02755 29.93730 12.10428 19.42214 7.843133 10.51516       14.42319 
1 1 1 -21 35 6  o 18.57394 8.389215 4.292145       32.46209 -18.70000      52.66522 18.38000       41.22461 19.68145 9.446450 21.54334 9.613429 -1.861887      13.47789 
1 1 1 -21 35 7  o 25.77006 9.782498 47.22031       34.00416 38.74000       54.45684 52.64000       43.53448 24.66010 11.02355 26.35244 10.73182 -1.692339      15.38476 
1 1 1 -21 35 8  o 14.25154 6.583241 -7.907946      21.51059 -1.769000      52.18474 -9.164514      23.60965 20.78593 9.811296 14.72834 6.835993 6.057595       11.95794 
1 1 1 -21 35 9  o 24.78486 8.027924 39.80027       22.23691 1.614000       56.48255 46.80463       24.19051 21.43665 10.14505 26.56734 8.348102 -5.130684      13.13822 
1 1 1 -21 35 10 o 18.36769 7.766397 13.46277       24.03991 0.000000       0.000000 13.46277       24.03991 ?        ?        18.36769 7.766397 ?              ?        
1 1 1 -21 35 11 o 21.13312 8.473859 25.73579       26.67609 5.057000       53.67279 32.51968       30.74193 21.35544 10.03989 22.70679 9.099517 -1.351351      13.54993 
1 1 1 -21 35 12 o 31.73498 8.593152 67.35116       27.34398 41.76000       54.35265 76.02290       31.63944 24.74745 11.04118 32.84117 9.378160 -8.093719      14.48646 
1 1 1 -21 35 13 o 20.36621 7.882217 23.76543       22.36645 -31.43000      53.54019 35.43430       24.61743 18.84847 9.161565 23.34154 8.419306 -4.493067      12.44263 
1 1 1 -21 35 14 o 35.27309 7.080839 75.49847       23.59713 34.96000       54.88198 84.69233       26.13635 23.98717 10.86391 37.00866 7.472701 -13.02149      13.18582 
1 1 1 -21 35 15 o 27.01972 8.945587 50.84624       27.54441 21.12000       53.52507 61.55402       32.12454 22.60089 10.42025 28.92495 9.663149 -6.324060      14.21120 
1 1 1 -21 35 16 o 31.79298 8.722051 68.52718       27.95647 52.61000       53.90373 74.38406       32.69784 25.78759 11.27009 31.99456 9.644565 -6.206970      14.83350 
1 1 1 -21 35 17 o 16.49365 7.231153 5.433130       22.34684 -1.088000      51.37219 6.955070       24.81793 20.53210 9.704479 17.30565 7.602776 3.226450       12.32798 
1 1 1 -21 35 18 f 21.65276 8.142835 29.06667       23.43369 70.32000       53.23005 19.14951       26.09883 27.92540 11.66621 19.68363 8.191746 8.241770       14.25501 
1 1 1 -21 35 19 o 37.16803 7.091901 83.92484       24.86003 -2.444000      53.77850 107.3968       28.03528 20.65404 9.810925 42.20644 7.033487 -21.55240      12.07163 
1 1 1 -21 35 20 o 28.34722 8.248078 53.72103       24.25950 -3.881000      53.33109 68.74980       27.24102 20.39840 9.712374 31.90171 8.550481 -11.50331      12.93990 
1 1 1 -21 35 21 o 27.55787 8.986588 53.94145       27.83914 67.94000       53.40354 48.71779       32.62241 27.26093 11.55331 25.65074 9.615726 1.610199       15.03134 
1 1 1 -21 35 22 o 18.74647 7.702959 17.34299       22.67942 -96.14000      52.30391 43.62019       25.16856 15.39249 7.740202 25.19461 8.553714 -9.802128      11.53589 
1 1 1 -21 35 23 o 18.76722 7.629248 17.88157       21.95512 24.76000       52.07083 16.39433       24.21261 22.51596 10.34341 18.76854 7.856419 3.747421       12.98882 
1 1 1 -21 35 24 o 30.98437 8.210246 64.32098       25.29610 0.000000       0.000000 64.32098       25.29610 ?        ?        30.98437 8.210246 ?              ?        
1 1 1 -21 35 25 o 14.59738 6.677010 -3.573938      21.38687 52.71000       51.41581 -15.34977      23.51799 24.99325 10.96271 13.72299 6.509697 11.27026       12.74979 
1 1 1 -21 35 26 o 28.70775 7.658694 54.14534       21.91804 41.09000       51.39722 57.04723       24.23184 23.51849 10.59528 28.89470 8.192727 -5.376209      13.39331 
1 1 1 -21 35 27 o 28.63666 7.671932 54.36114       21.93669 35.87000       52.37457 58.29516       24.15779 22.79387 10.43471 29.14037 8.151592 -6.346502      13.24129 
1 1 1 -21 35 28 o 23.48930 7.925364 38.02364       21.60502 77.32000       52.63878 30.06266       23.69262 27.01224 11.46004 21.19605 8.136343 5.816191       14.05463 
1 1 1 -21 35 29 f 17.74377 7.500144 14.82129       22.40785 -4.763000      50.26382 19.67892       25.03307 19.12658 9.192703 18.99675 7.972592 0.1298370      12.16832 
1 1 1 -21 36 1  o 22.17885 7.809841 30.83018       21.05952 63.72000       52.52954 24.53151       22.98778 27.24000 11.49721 20.57354 7.983134 6.666462       13.99701 
1 1 1 -21 36 2  o 25.20695 8.066796 41.56342       22.49838 -13.84000      52.02070 54.31081       24.95276 19.73477 9.449840 28.53265 8.382778 -8.797874      12.63212 
1 1 1 -21 36 3  o 22.27298 7.950596 31.24258       21.88980 -3.958000      51.64188 38.95235       24.16840 20.40116 9.668430 24.27040 8.377948 -3.869240      12.79330 
1 1 1 -21 36 4  o 13.02633 6.190995 -17.16736      21.47180 -31.06000      50.78332 -14.14313      23.69387 18.43641 8.952346 14.09253 6.639399 4.343878       11.14568 
1 1 1 -21 36 5  o 15.81435 7.566243 -22.14594      33.19794 -24.91000      51.41774 -20.17000      43.47372 18.91362 9.141932 18.01265 8.628823 0.9009743      12.57106 
1 1 1 -21 36 6  o 47.69849 5.403120 126.5135       24.78264 14.65000       55.17391 154.7870       27.73831 22.18290 10.34778 52.73875 5.451842 -30.55585      11.69611 
1 1 1 -21 36 7  o 33.35754 7.305155 68.69387       23.19022 -8.670000      54.77811 85.58697       25.59720 20.37220 9.739381 37.41043 7.252117 -17.03823      12.14285 
1 1 1 -21 36 8  o 21.55629 8.277627 28.54547       24.52870 0.000000       0.000000 28.54547       24.52870 ?        ?        21.55629 8.277627 ?              ?        
1 1 1 -21 36 9  o 23.53575 8.434679 36.58927       24.66183 0.000000       0.000000 36.58927       24.66183 ?        ?        23.53575 8.434679 ?              ?        
1 1 1 -21 36 10 o 26.62510 8.119347 46.84638       23.08130 -3.737000      54.16918 58.06750       25.51329 20.60463 9.804289 29.41022 8.428840 -8.805592      12.92940 
1 1 1 -21 36 11 o 26.66213 8.153090 47.08881       23.25262 35.77000       54.07184 49.65687       25.75572 23.91161 10.81107 26.93822 8.632067 -3.026609      13.83444 
1 1 1 -21 36 12 o 25.58629 8.902791 45.47025       27.31550 48.16000       52.97054 44.49589       31.88139 25.18019 11.08315 24.98211 9.474816 0.1980801      14.58110 
1 1 1 -21 36 13 o 16.79031 7.583345 1.357946       26.52229 -31.14000      51.39376 13.15435       30.96401 18.42116 8.958924 19.30774 8.486918 -0.8865719     12.34059 
1 1 1 -21 36 14 o 33.33092 7.600446 70.03606       24.24482 65.84000       53.76040 71.10734       27.16401 27.19412 11.56106 32.66434 8.436984 -5.470222      14.31226 
1 1 1 -21 36 15 o 14.17334 6.610453 -10.08831      22.50204 -24.20000      51.61364 -6.776643      25.00336 18.86007 9.126513 15.31305 7.082073 3.547016       11.55201 
1 1 1 -21 36 16 o 17.04516 7.634893 3.793255       26.26420 21.94000       50.72382 -2.854179      30.70009 22.26595 10.22125 17.10591 7.888530 5.160044       12.91135 
1 1 1 -21 36 17 o 15.25633 7.148341 -10.69485      26.81624 26.06000       50.35829 -25.24248      31.68180 22.51897 10.27963 15.05524 7.251799 7.463731       12.58012 
1 1 1 -21 36 18 o 12.68645 6.098042 -21.56116      22.13124 -36.28000      50.53618 -18.06853      24.61735 17.83737 8.720630 13.82979 6.588721 4.007573       10.92980 
1 1 1 -21 36 19 o 20.27198 8.349252 22.83554       26.72599 12.97000       50.78232 26.61483       31.43095 21.29946 9.932931 21.31963 8.939569 -0.2016449E-01 13.36335 
1 1 1 -21 36 20 o 14.45251 6.847193 -15.50133      25.86320 5.271000       50.56531 -22.86103      30.09817 20.64582 9.718300 14.85155 7.131658 5.794271       12.05429 
1 1 1 -21 36 21 o 19.31533 7.802020 20.42228       22.79331 29.71000       51.25513 18.13276       25.44810 22.68510 10.36130 19.14697 8.037202 3.538124       13.11309 
1 1 1 -21 36 22 o 13.51296 6.446501 -17.76208      23.73174 0.000000       0.000000 -17.76208      23.73174 ?        ?        13.51296 6.446501 ?              ?        
1 1 1 -21 36 23 o 13.23469 6.267128 -14.10397      21.61563 -49.55000      50.99361 -6.339896      23.86584 16.93081 8.370725 14.84744 6.884960 2.083369       10.83844 
1 1 1 -21 36 24 o 14.00317 6.509940 -7.431159      21.54500 -75.05000      49.28416 8.544382       23.95528 15.41572 7.718125 16.99266 7.467234 -1.576943      10.73914 
1 1 1 -21 36 25 o 13.28561 6.267453 -11.93462      21.23930 -23.23000      51.04848 -9.569978      23.35692 18.12530 8.840357 14.19211 6.656621 3.933198       11.06628 
1 1 1 -21 36 26 o 26.27764 7.946000 47.91678       22.17008 -21.49000      52.55189 62.94386       24.45258 18.26680 8.922459 30.14415 8.110583 -11.87736      12.05785 
1 1 1 -21 36 27 o 24.62642 8.603809 45.08335       25.52598 23.28000       50.76775 52.46035       29.53017 21.09434 9.868151 25.73737 9.229009 -4.643030      13.51129 
1 1 1 -21 37 1  o 16.50333 7.126680 7.441857       21.02624 -7.571000      50.83959 10.53966       23.09389 19.88089 9.470698 17.52818 7.517762 2.352707       12.09177 
1 1 1 -21 37 2  o 31.90369 7.524890 64.15672       23.11520 80.14000       53.42382 60.47533       25.63941 29.07106 11.86976 30.01451 8.398474 -0.9434490     14.54048 
1 1 1 -21 37 3  f 17.29450 8.526571 -51.54000      51.63094 -51.54000      51.63094 0.000000       0.000000 17.29450 8.526571 ?        ?        ?              ?        
1 1 1 -21 37 4  f 29.51402 8.597516 59.46156       26.34499 -19.31000      53.58452 84.57227       30.25409 19.40546 9.368088 35.29861 8.790002 -15.89315      12.84621 
1 1 1 -21 37 5  o 36.85760 6.932069 82.12705       24.09128 44.73000       55.07625 90.97533       26.79015 24.69647 11.05955 38.32299 7.409894 -13.62652      13.31241 
1 1 1 -21 37 6  o 35.56885 7.729890 80.19671       26.14188 0.000000       0.000000 80.19671       26.14188 ?        ?        35.56885 7.729890 ?              ?        
1 1 1 -21 37 7  o 23.78352 8.560327 38.06669       25.43278 0.000000       0.000000 38.06669       25.43278 ?        ?        23.78352 8.560327 ?              ?        
1 1 1 -21 37 8  o 26.21991 8.122255 45.72885       22.98629 83.53000       53.28672 37.08668       25.47875 29.49661 11.92397 23.53122 8.554484 5.965395       14.67516 
1 1 1 -21 37 9  o 18.89726 7.702213 17.99205       22.44680 -5.811000      51.15073 23.66929       24.98066 19.99963 9.519470 20.39182 8.192038 -0.3921852     12.55905 
1 1 1 -21 37 10 o 14.40495 6.682635 -8.152211      22.52034 -1.548000      52.80566 -9.620440      24.89814 20.47691 9.725344 14.90023 6.950812 5.576679       11.95392 
1 1 1 -21 37 11 o 19.70925 7.896246 21.46696       23.14301 -3.067000      54.00402 26.98618       25.61423 20.44998 9.747169 21.10763 8.355963 -0.6576538     12.83859 
1 1 1 -21 37 12 o 19.18990 7.829654 19.24977       23.22507 -79.80000      52.99039 42.80100       25.83909 16.11160 8.057103 24.84435 8.657969 -8.732744      11.82697 
1 1 1 -21 37 13 o 26.82521 9.058643 51.91642       28.22560 18.40000       51.34656 66.43008       33.78866 21.77681 10.09840 29.28797 9.911143 -7.511156      14.14951 
1 1 1 -21 37 14 o 20.05857 8.361252 21.65023       27.25373 -3.723000      49.65519 32.58915       32.60349 19.79750 9.410728 22.36437 9.217473 -2.566870      13.17284 
1 1 1 -21 37 15 o 16.24553 7.257776 3.172839       23.56865 29.30000       49.72703 -4.396749      26.76595 22.64882 10.29072 15.94078 7.356422 6.708043       12.64974 
1 1 1 -21 37 16 o 18.86002 7.765666 17.94636       23.11242 18.09000       51.39971 17.90995       25.87598 21.71911 10.08265 19.20270 8.085163 2.516413       12.92400 
1 1 1 -21 37 17 o 17.20201 7.790947 3.002597       28.22607 31.65000       51.08569 -9.586063      33.86464 22.89731 10.41409 16.87854 7.947500 6.018768       13.10023 
1 1 1 -21 37 18 o 26.85179 10.17944 59.01588       36.78996 14.31000       52.54729 102.0000       51.52548 21.26002 9.975759 31.79667 12.04843 -10.53665      15.64227 
1 1 1 -21 37 19 o 22.52774 8.209067 34.23564       23.48218 19.47000       51.59526 38.09319       26.37177 21.52322 10.02888 23.31084 8.664023 -1.787621      13.25307 
1 1 1 -21 37 20 o 36.27800 7.261829 82.99403       24.88622 79.48000       54.87419 83.90392       27.92286 27.57362 11.69964 35.28981 8.234715 -7.716188      14.30706 
1 1 1 -21 37 21 o 14.93736 6.982256 -8.027085      25.33193 0.000000       0.000000 -8.027085      25.33193 ?        ?        14.93736 6.982256 ?              ?        
1 1 1 -21 37 22 o 26.78448 8.128429 50.11389       23.17077 56.66000       50.29605 48.35030       26.10608 24.70478 10.83924 25.60195 8.711288 -0.8971710     13.90596 
1 1 1 -21 37 23 o 22.69907 8.099010 36.15781       22.71210 -21.95000      53.13506 49.14779       25.12280 18.26926 8.933969 25.86468 8.542523 -7.595419      12.36085 
1 1 1 -21 37 24 o 13.92454 6.494652 -7.469546      21.72374 -86.95000      50.45383 10.61845       24.06906 14.94366 7.525913 17.16445 7.515485 -2.220786      10.63588 
1 1 1 -21 38 1  o 24.02146 9.183285 41.07316       30.09965 -10.55000      53.05861 65.57000       36.55010 19.68593 9.457207 28.49520 10.26137 -8.809263      13.95473 
1 1 1 -21 38 2  o 20.23278 8.258876 23.26130       25.85544 -24.72000      51.00204 39.85756       29.99554 18.51876 8.987510 23.76274 9.146268 -5.243980      12.82301 
1 1 1 -21 38 3  o 20.38678 7.972516 24.88433       23.06902 -19.95000      50.60098 36.64796       25.91935 18.75915 9.067698 23.20946 8.596294 -4.450310      12.49478 
1 1 1 -21 38 4  o 34.81281 7.253006 75.52866       23.91196 72.54000       53.81841 76.26377       26.69121 27.47585 11.61910 33.99147 8.131513 -6.515619      14.18185 
1 1 1 -21 38 5  o 37.02178 7.526817 86.53795       26.34523 0.000000       0.000000 86.53795       26.34523 ?        ?        37.02178 7.526817 ?              ?        
1 1 1 -21 38 6  o 18.49812 7.645793 16.71836       22.51903 38.60000       53.52807 12.01283       24.82251 23.65460 10.71959 17.95360 7.748110 5.700998       13.22659 
1 1 1 -21 38 7  o 15.21145 6.902230 -1.336948      22.27888 -31.07000      51.42658 5.532503       24.71889 18.16188 8.861452 16.85165 7.486587 1.310230       11.60062 
1 1 1 -21 38 8  o 19.15147 7.777223 19.66188       22.78677 -21.00000      51.60070 29.51221       25.39729 18.78388 9.098190 21.50867 8.378421 -2.724796      12.36831 
1 1 1 -21 38 9  o 24.21052 8.178313 39.68050       23.00619 17.11000       51.37170 45.34284       25.73069 21.53932 10.02656 25.39692 8.648313 -3.857595      13.24104 
1 1 1 -21 38 10 o 15.36666 6.967555 -0.9189151     22.65207 -56.20000      50.26052 13.17228       25.37538 16.63893 8.241467 18.23346 7.851114 -1.594536      11.38252 
1 1 1 -21 38 11 o 19.53123 7.880710 21.21099       23.22760 13.37000       50.78157 23.28547       26.12015 21.18653 9.897612 20.21718 8.282444 0.9693489      12.90587 
1 1 1 -21 38 12 o 16.53156 7.301657 5.734950       23.17871 -5.691000      50.63998 8.763146       26.06990 19.66023 9.389513 17.60165 7.760265 2.058580       12.18132 
1 1 1 -21 38 13 o 27.47099 8.236802 51.71674       23.89598 56.94000       51.28585 50.26833       27.00667 25.41253 11.05129 26.38238 8.860705 -0.9698467     14.16486 
1 1 1 -21 38 14 o 18.72909 8.051316 15.78220       26.60272 -2.395000      50.60009 22.72577       31.27368 19.70883 9.405306 20.37003 8.742726 -0.6612015     12.84115 
1 1 1 -21 38 15 o 15.54900 7.214489 -5.361987      26.26307 -5.215000      51.35978 -5.414030      30.56085 19.53179 9.362482 16.48273 7.692921 3.049067       12.11764 
1 1 1 -21 38 16 o 15.32018 7.187104 -9.059910      27.25031 44.73000       50.41071 -31.26715      32.39066 23.70707 10.60122 14.52146 7.073581 9.185607       12.74446 
1 1 1 -21 38 17 o 17.36977 7.723011 8.472217       26.35853 18.25000       51.10431 4.928258       30.76674 21.09985 9.880461 17.62468 8.041426 3.475178       12.73923 
1 1 1 -21 38 18 o 14.78003 7.022862 -14.03335      27.59816 8.091000       49.25947 -24.15518      33.31838 20.02093 9.474789 15.17480 7.340660 4.846131       11.98570 
1 1 1 -21 38 19 o 24.50795 8.781005 44.97530       26.72691 0.000000       0.000000 44.97530       26.72691 ?        ?        24.50795 8.781005 ?              ?        
1 1 1 -21 38 20 o 17.40636 7.487632 13.18761       23.03696 46.24000       49.97523 4.269181       25.95957 23.16836 10.44172 16.47590 7.465888 6.692459       12.83624 
1 1 1 -21 38 21 o 18.77010 7.754890 20.06065       23.15280 11.77000       49.72723 22.35534       26.16143 20.07357 9.505611 19.45430 8.156523 0.6192703      12.52539 
1 1 1 -21 38 22 o 14.11852 6.889462 -28.87731      31.11144 -3.827000      47.29209 -47.99000      41.30883 18.50079 8.898329 14.95937 7.420404 3.541417       11.58631 
1 1 1 -21 39 1  o 38.96085 7.387949 95.43656       27.14395 39.21000       53.38487 115.0411       31.52289 23.49334 10.66974 42.16101 7.929485 -18.66767      13.29361 
1 1 1 -21 39 2  o 63.70535 6.159689 236.9926       37.93113 0.000000       0.000000 236.9926       37.93113 ?        ?        63.70535 6.159689 ?              ?        
1 1 1 -21 39 3  o 30.08074 8.592451 63.27096       26.55610 0.000000       0.000000 63.27096       26.55610 ?        ?        30.08074 8.592451 ?              ?        
1 1 1 -21 39 4  o 31.32557 8.608230 68.45313       27.20560 0.000000       0.000000 68.45313       27.20560 ?        ?        31.32557 8.608230 ?              ?        
1 1 1 -21 39 5  o 19.05872 8.068480 18.02744       25.99918 -21.15000      50.43866 32.20348       30.34052 18.44257 8.947541 21.97349 8.955184 -3.530922      12.65914 
1 1 1 -21 39 6  o 39.43368 6.679021 94.27225       24.86095 113.6000       53.25206 88.88569       28.11261 32.99075 12.30201 36.65827 8.055084 -3.667522      14.70455 
1 1 1 -21 39 7  o 30.25924 7.933952 61.26542       23.78307 65.60000       51.53572 60.09248       26.80849 26.17643 11.22873 28.94973 8.734274 -2.773294      14.22575 
1 1 1 -21 39 8  o 18.96404 7.753746 19.65470       22.83558 23.27000       49.72586 18.68850       25.70654 21.61277 9.992712 19.07730 8.046951 2.535463       12.82995 
1 1 1 -21 39 9  o 15.36727 6.964057 0.1318503      22.59229 -49.81000      49.56966 13.22600       25.38180 16.61932 8.223299 18.03772 7.809716 -1.418400      11.34083 
1 1 1 -21 39 10 o 15.80656 7.330759 -4.358398      27.07106 -16.86000      48.86409 1.177851       32.51732 18.36594 8.885641 17.51065 8.090649 0.8552952      12.01720 
1 1 1 -21 39 11 o 30.21518 8.140300 62.56791       24.61263 74.45000       52.15690 59.16391       27.91643 26.95185 11.41978 28.20844 8.981262 -1.256594      14.52840 
1 1 1 -21 39 12 o 20.03289 8.001225 24.84691       23.68792 91.38000       51.03069 6.573463       26.74378 29.33816 11.73505 17.11880 7.683238 12.21936       14.02653 
1 1 1 -21 39 13 f 18.13548 7.688862 15.88505       23.66810 3.668000       50.37730 19.34551       26.81136 19.75804 9.416477 19.12536 8.148760 0.6326733      12.45280 
1 1 1 -21 39 14 o 14.42222 6.754009 -8.388800      23.88686 27.14000       49.58223 -19.12718      27.25871 21.51492 9.958283 14.15470 6.794392 7.360218       12.05534 
1 1 1 -21 39 15 o 17.09213 7.961393 -0.3071955     32.46960 -0.8358000     48.99068 0.1069000      43.36090 19.12251 9.160361 18.60987 8.831136 0.5126438      12.72404 
1 1 1 -21 39 16 o 17.84506 7.870329 12.80739       26.83672 43.98000       49.69751 -0.2433184E-01 31.88530 22.85206 10.34510 16.95521 7.894868 5.896851       13.01345 
1 1 1 -21 39 17 o 16.78811 7.616145 5.359815       27.10964 0.000000       0.000000 5.359815       27.10964 ?        ?        16.78811 7.616145 ?              ?        
1 1 1 -21 39 18 o 18.97142 9.007223 4.738000       45.21838 0.000000       0.000000 4.738000       45.21838 ?        ?        18.97142 9.007223 ?              ?        
1 1 1 -21 40 1  o 19.85870 8.475886 22.59715       29.09628 19.02000       52.16279 24.21284       35.05673 21.02592 9.888934 20.50986 9.022335 0.5160618      13.38632 
1 1 1 -21 40 2  o 24.30783 8.785337 43.98793       26.82091 0.000000       0.000000 43.98793       26.82091 ?        ?        24.30783 8.785337 ?              ?        
1 1 1 -21 40 3  o 39.92683 8.974600 114.0515       34.21839 0.000000       0.000000 114.0515       34.21839 ?        ?        39.92683 8.974600 ?              ?        
1 1 1 -21 40 4  o 39.37559 7.702397 101.6486       28.62271 23.84000       52.70752 134.1913       34.08676 21.38947 10.02192 44.83191 8.064162 -23.44245      12.86350 
1 1 1 -21 40 5  o 16.46672 7.462424 3.711559       25.94279 0.000000       0.000000 3.711559       25.94279 ?        ?        16.46672 7.462424 ?              ?        
1 1 1 -21 40 6  o 13.64687 6.469720 -13.19922      23.16277 -62.80000      49.98443 0.3647252      26.13868 15.84275 7.907718 16.03568 7.352373 -0.1929321     10.79766 
1 1 1 -21 40 7  o 18.72596 8.066489 17.71496       26.80789 35.17000       50.19307 10.74856       31.70939 22.17070 10.17387 18.28673 8.272374 3.883976       13.11258 
1 1 1 -21 40 8  o 20.90876 8.178079 29.60508       24.27750 44.97000       51.13976 25.13490       27.58393 23.05739 10.46037 20.06429 8.391249 2.993105       13.41016 
1 1 1 -21 40 9  o 15.64161 7.088320 2.197596       23.40511 -2.210000      49.22715 3.484966       26.60452 18.96413 9.110162 16.46972 7.500287 2.494408       11.80040 
1 1 1 -21 40 10 f 13.19695 6.331452 -17.96877      23.60322 -49.04000      48.33561 -8.239697      27.04729 16.09803 7.992351 15.10205 7.108416 0.9959774      10.69613 
1 1 1 -21 40 11 f 17.48562 7.557460 13.67828       23.68579 0.9127000      48.14632 17.75425       27.20562 18.94343 9.076307 18.59916 8.068984 0.3442688      12.14446 
1 1 1 -21 40 12 o 18.58317 7.822282 19.21149       24.21070 -9.770000      48.88334 28.63120       27.86887 18.30577 8.863933 20.57233 8.504626 -2.266554      12.28405 
1 1 1 -21 40 13 o 21.00152 8.617319 30.89987       28.33150 45.92000       50.42512 23.97105       34.24833 22.87828 10.38225 20.07571 8.870920 2.802578       13.65592 
1 1 1 -21 40 14 o 19.55910 8.753556 21.19048       34.44601 -28.77000      49.10780 69.58000       48.32956 17.06169 8.393085 25.41634 10.88768 -8.354649      13.74720 
1 1 1 -21 41 1  o 19.82195 8.248917 25.11840       26.46258 0.000000       0.000000 25.11840       26.46258 ?        ?        19.82195 8.248917 ?              ?        
1 1 1 -21 41 2  o 19.34013 8.367415 21.50620       29.09302 14.56000       50.92243 24.87217       35.44786 20.11154 9.551394 20.21342 8.973527 -0.1018772     13.10547 
1 1 1 -21 41 3  o 22.59775 8.309488 37.41626       24.14370 4.617000       49.85526 47.46515       27.59547 19.30146 9.244681 24.58951 8.907962 -5.288057      12.83807 
1 1 1 -21 41 4  o 25.32168 8.281842 47.23855       23.63554 40.93000       50.49123 49.00886       26.74705 22.24624 10.20687 25.09197 8.804225 -2.845724      13.47941 
1 1 1 -21 41 5  o 24.72660 8.840131 48.05928       27.07261 -11.24000      50.20616 72.37051       32.14666 18.20092 8.852490 29.37428 9.661412 -11.17337      13.10380 
1 1 1 -21 41 6  o 16.17152 7.713684 -9.420797      33.95306 15.30000       48.40723 -33.36000      47.63584 19.82141 9.383954 16.59035 8.181431 3.231062       12.44968 
1 1 1 -21 41 7  o 18.20937 8.403177 10.24246       34.92255 4.719000       49.55970 15.69000       49.21795 19.06418 9.153709 19.84050 9.413252 -0.7763252     13.13011 
1 1 1 -20 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  2  o 63.01612 4.354661 197.4620       26.56080 197.4620       26.56080 197.4620       26.56080 63.01612 4.354661 63.01612 4.354661 0.000000       0.000000 
1 1 1 -20 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  5  o 194.2646 5.821430 1858.083       110.4703 1858.083       110.4703 1858.083       110.4703 194.2646 5.821430 194.2646 5.821430 0.000000       0.000000 
1 1 1 -20 0  6  o 73.92541 4.260256 270.5978       30.59109 270.5978       30.59109 270.5978       30.59109 73.92541 4.260256 73.92541 4.260256 -0.000000      0.000000 
1 1 1 -20 0  7  o 373.9442 10.17530 6930.755       371.8199 6930.755       371.8199 6930.755       371.8199 373.9442 10.17530 373.9442 10.17530 -0.000000      0.000000 
1 1 1 -20 0  8  o 93.85133 4.290805 434.5890       39.22895 434.5890       39.22895 434.5890       39.22895 93.85133 4.290805 93.85133 4.290805 -0.000000      0.000000 
1 1 1 -20 0  9  o 153.0267 5.034635 1152.821       75.22707 1152.821       75.22707 1152.821       75.22707 153.0267 5.034635 153.0267 5.034635 -0.000000      0.000000 
1 1 1 -20 0  10 o 265.4062 7.493228 3476.483       194.3133 3476.483       194.3133 3476.483       194.3133 265.4062 7.493228 265.4062 7.493228 -0.000000      0.000000 
1 1 1 -20 0  11 o 29.65739 8.900012 53.48505       22.50717 53.48505       22.50717 53.48505       22.50717 29.65739 8.900012 29.65739 8.900012 -0.000000      0.000000 
1 1 1 -20 0  12 o 135.5632 4.812998 905.2672       63.68232 905.2672       63.68232 905.2672       63.68232 135.5632 4.812998 135.5632 4.812998 -0.000000      0.000000 
1 1 1 -20 0  13 o 13.91318 8.272099 10.38739       19.68219 10.38739       19.68219 10.38739       19.68219 13.91318 8.272099 13.91318 8.272099 -0.000000      0.000000 
1 1 1 -20 0  14 o 127.5349 4.741279 801.6456       59.00166 801.6456       59.00166 801.6456       59.00166 127.5349 4.741279 127.5349 4.741279 0.000000       0.000000 
1 1 1 -20 0  15 o 126.8511 4.705372 793.1580       58.24171 793.1580       58.24171 793.1580       58.24171 126.8511 4.705372 126.8511 4.705372 0.000000       0.000000 
1 1 1 -20 0  16 o 10.98009 7.171152 -2.121576      18.90105 -2.121576      18.90105 -2.121576      18.90105 10.98009 7.171152 10.98009 7.171152 -0.000000      0.000000 
1 1 1 -20 0  17 o 77.37411 4.326751 296.5974       32.53299 296.5974       32.53299 296.5974       32.53299 77.37411 4.326751 77.37411 4.326751 0.000000       0.000000 
1 1 1 -20 0  18 o 16.89713 8.781074 20.64497       18.84860 20.64497       18.84860 20.64497       18.84860 16.89713 8.781074 16.89713 8.781074 -0.000000      0.000000 
1 1 1 -20 0  19 o 52.09931 4.975941 137.0354       24.81040 137.0354       24.81040 137.0354       24.81040 52.09931 4.975941 52.09931 4.975941 0.000000       0.000000 
1 1 1 -20 0  20 o 79.13735 4.397052 310.5365       33.81821 310.5365       33.81821 310.5365       33.81821 79.13735 4.397052 79.13735 4.397052 -0.000000      0.000000 
1 1 1 -20 0  21 o 179.9675 5.600721 1601.015       98.44418 1601.015       98.44418 1601.015       98.44418 179.9675 5.600721 179.9675 5.600721 0.000000       0.000000 
1 1 1 -20 0  22 o 44.10517 6.176409 101.4644       25.16619 101.4644       25.16619 101.4644       25.16619 44.10517 6.176409 44.10517 6.176409 0.000000       0.000000 
1 1 1 -20 0  23 o 57.97236 4.906108 169.0507       27.36344 169.0507       27.36344 169.0507       27.36344 57.97236 4.906108 57.97236 4.906108 0.000000       0.000000 
1 1 1 -20 0  24 o 125.7168 6.323887 788.7000       77.36716 788.7000       77.36716 788.7000       77.36716 125.7168 6.323887 125.7168 6.323887 0.000000       0.000000 
1 1 1 -20 0  25 o 80.87949 7.251989 333.2000       56.29937 333.2000       56.29937 333.2000       56.29937 80.87949 7.251989 80.87949 7.251989 -0.000000      0.000000 
1 1 1 -20 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  27 o 110.5389 4.527433 605.9644       48.79897 605.9644       48.79897 605.9644       48.79897 110.5389 4.527433 110.5389 4.527433 0.000000       0.000000 
1 1 1 -20 0  28 o 30.14112 9.179448 56.48096       23.64377 56.48096       23.64377 56.48096       23.64377 30.14112 9.179448 30.14112 9.179448 0.000000       0.000000 
1 1 1 -20 0  29 o 14.20722 8.676466 9.599782       22.86468 9.599782       22.86468 9.599782       22.86468 14.20722 8.676466 14.20722 8.676466 0.000000       0.000000 
1 1 1 -20 0  30 o 43.95550 7.023496 103.5267       27.90891 103.5267       27.90891 103.5267       27.90891 43.95550 7.023496 43.95550 7.023496 -0.000000      0.000000 
1 1 1 -20 0  31 o 45.56042 7.093876 111.0761       29.35105 111.0761       29.35105 111.0761       29.35105 45.56042 7.093876 45.56042 7.093876 0.000000       0.000000 
1 1 1 -20 0  32 o 43.93533 7.623843 105.1609       29.83058 105.1609       29.83058 105.1609       29.83058 43.93533 7.623843 43.93533 7.623843 0.000000       0.000000 
1 1 1 -20 0  33 o 13.63245 9.460150 -32.58000      44.04811 -32.58000      44.04811 -32.58000      44.04811 13.63245 9.460150 13.63245 9.460150 -0.000000      0.000000 
1 1 1 -20 0  34 o 14.63509 9.998178 -21.68000      44.83842 -21.68000      44.83842 -21.68000      44.83842 14.63509 9.998178 14.63509 9.998178 -0.000000      0.000000 
1 1 1 -20 0  35 o 23.69003 11.15223 43.30090       29.11160 43.30090       29.11160 43.30090       29.11160 23.69003 11.15223 23.69003 11.15223 -0.000000      0.000000 
1 1 1 -20 0  36 o 44.37426 8.178905 109.7490       31.96910 109.7490       31.96910 109.7490       31.96910 44.37426 8.178905 44.37426 8.178905 -0.000000      0.000000 
1 1 1 -20 0  37 o 72.62339 7.402050 277.8000       51.26175 277.8000       51.26175 277.8000       51.26175 72.62339 7.402050 72.62339 7.402050 -0.000000      0.000000 
1 1 1 -20 0  38 o 35.58360 12.82267 90.45000       40.90675 90.45000       40.90675 90.45000       40.90675 35.58360 12.82267 35.58360 12.82267 0.000000       0.000000 
1 1 1 -20 0  39 o 14.86392 9.465611 7.343034       30.31083 7.343034       30.31083 7.343034       30.31083 14.86392 9.465611 14.86392 9.465611 0.000000       0.000000 
1 1 1 -20 0  40 o 14.55655 9.314518 6.330520       29.78169 6.330520       29.78169 6.330520       29.78169 14.55655 9.314518 14.55655 9.314518 -0.000000      0.000000 
1 1 1 -20 0  41 o 35.35339 10.90101 82.65769       33.00102 82.65769       33.00102 82.65769       33.00102 35.35339 10.90101 35.35339 10.90101 0.000000       0.000000 
1 1 1 -20 0  42 o 51.20907 7.942502 145.4970       36.96140 145.4970       36.96140 145.4970       36.96140 51.20907 7.942502 51.20907 7.942502 0.000000       0.000000 
1 1 1 -20 0  43 o 21.69780 11.71052 40.27520       34.58099 40.27520       34.58099 40.27520       34.58099 21.69780 11.71052 21.69780 11.71052 -0.000000      0.000000 
1 1 1 -20 0  44 o 12.54237 8.594993 -15.16449      33.70625 -15.16449      33.70625 -15.16449      33.70625 12.54237 8.594993 12.54237 8.594993 0.000000       0.000000 
1 1 1 -20 0  45 o 30.11037 12.57374 72.22211       37.07411 72.22211       37.07411 72.22211       37.07411 30.11037 12.57374 30.11037 12.57374 0.000000       0.000000 
1 1 1 -20 0  46 o 18.92120 11.17030 29.05667       35.43315 29.05667       35.43315 29.05667       35.43315 18.92120 11.17030 18.92120 11.17030 0.000000       0.000000 
1 1 1 -20 0  47 o 43.20161 10.38557 117.0513       38.08375 117.0513       38.08375 117.0513       38.08375 43.20161 10.38557 43.20161 10.38557 0.000000       0.000000 
1 1 1 -20 0  48 o 23.93320 12.30945 51.48787       36.78277 51.48787       36.78277 51.48787       36.78277 23.93320 12.30945 23.93320 12.30945 -0.000000      0.000000 
1 1 1 -20 0  49 o 35.67588 12.16574 92.40851       38.10587 92.40851       38.10587 92.40851       38.10587 35.67588 12.16574 35.67588 12.16574 -0.000000      0.000000 
1 1 1 -20 0  50 o 17.08547 11.45259 2.552000       53.54922 2.552000       53.54922 2.552000       53.54922 17.08547 11.45259 17.08547 11.45259 -0.000000      0.000000 
1 1 1 -20 0  51 o 23.09260 12.32038 49.24445       37.87745 49.24445       37.87745 49.24445       37.87745 23.09260 12.32038 23.09260 12.32038 -0.000000      0.000000 
1 1 1 -20 0  52 o 23.01040 13.58924 52.61000       52.47396 52.61000       52.47396 52.61000       52.47396 23.01040 13.58924 23.01040 13.58924 0.000000       0.000000 
1 1 1 -20 0  53 o 21.56097 13.13474 43.92000       52.11281 43.92000       52.11281 43.92000       52.11281 21.56097 13.13474 21.56097 13.13474 -0.000000      0.000000 
1 1 1 -20 0  54 o 16.13666 11.01038 -5.698000      54.01476 -5.698000      54.01476 -5.698000      54.01476 16.13666 11.01038 16.13666 11.01038 0.000000       0.000000 
1 1 1 -20 0  55 o 25.28688 12.76396 61.49793       39.11562 61.49793       39.11562 61.49793       39.11562 25.28688 12.76396 25.28688 12.76396 -0.000000      0.000000 
1 1 1 -20 1  1  o 183.3129 3.913867 1649.421       70.22720 1673.902       100.2768 1625.857       98.38283 184.3114 5.564672 181.6502 5.539685 2.661240       7.851985 
1 1 1 -20 1  2  o 82.55399 2.872915 334.4727       23.17953 324.6859       32.59375 344.4874       32.97111 81.21597 4.113421 83.67050 4.037745 -2.454529      5.763993 
1 1 1 -20 1  3  o 78.80880 3.735069 305.4604       28.73041 304.3000       40.81712 306.6000       40.44728 78.45762 5.346926 78.76511 5.276693 -0.3074951     7.512197 
1 1 1 -20 1  4  o 50.49852 3.312480 125.6056       16.28297 140.9185       23.49183 111.4459       22.58985 53.36220 4.540644 47.35309 4.946575 6.009106       6.714615 
1 1 1 -20 1  5  o 66.13480 3.049407 214.9060       19.68708 232.4113       28.23971 198.3539       27.46012 68.66239 4.222217 63.38393 4.454420 5.278465       6.137505 
1 1 1 -20 1  6  o 79.36182 2.999093 309.2435       23.25550 306.7864       32.90101 311.6968       32.87549 78.91410 4.275366 79.54953 4.237387 -0.6354294     6.019485 
1 1 1 -20 1  7  o 27.29065 5.271114 37.88769       13.57087 47.63758       19.09132 27.92915       19.29451 30.48754 6.589907 23.84822 7.450081 6.639315       9.946385 
1 1 1 -20 1  8  o 91.85265 3.058395 414.1695       27.45905 416.0533       39.05985 412.3288       38.60997 91.91910 4.353662 91.50979 4.322700 0.4093094      6.135153 
1 1 1 -20 1  9  o 176.2460 3.857929 1525.008       66.55485 1490.268       93.14092 1561.252       95.13634 173.8666 5.479751 177.9659 5.467879 -4.099304      7.741148 
1 1 1 -20 1  10 o 61.33155 3.322262 185.0725       19.87008 164.0461       27.49411 208.0620       28.74896 57.53713 4.929307 64.89869 4.554556 -7.361561      6.711338 
1 1 1 -20 1  11 o 42.74257 3.984046 90.50301       16.47633 102.7579       23.15161 77.92651       23.45341 45.37323 5.313368 39.24465 6.320070 6.128582       8.256825 
1 1 1 -20 1  12 o 133.0748 3.800723 870.3783       49.45646 944.9000       85.53765 832.9557       60.61533 138.1477 6.342607 130.0209 4.770899 8.126831       7.936633 
1 1 1 -20 1  13 o 88.65744 3.162257 386.1269       27.39823 385.6210       38.95874 386.6220       38.53857 88.42821 4.515943 88.55133 4.460620 -0.1231232     6.347509 
1 1 1 -20 1  14 o 106.3301 3.171866 555.2780       32.97552 544.7628       46.33045 566.0737       46.94447 105.1289 4.512847 107.1738 4.484876 -2.044861      6.362382 
1 1 1 -20 1  15 o 89.54323 3.071158 393.8934       26.87806 400.8916       37.53017 386.5245       38.51146 90.18002 4.263788 88.51565 4.459281 1.664375       6.169690 
1 1 1 -20 1  16 o 21.20514 6.349521 22.50890       14.20724 45.29916       19.43180 -3.665372      20.82455 29.63947 6.837158 16.12366 7.026529 13.51580       9.804022 
1 1 1 -20 1  17 o 9.578944 4.627838 -20.97801      13.13829 -19.51200      18.40028 -22.50284      18.76580 12.50181 5.877807 12.28868 5.825104 0.2131290      8.275291 
1 1 1 -20 1  18 o 85.16550 3.002992 356.5341       24.99447 349.9373       35.20875 363.2359       35.48793 84.18211 4.287034 85.77901 4.239761 -1.596901      6.029447 
1 1 1 -20 1  19 o 114.4383 3.148853 643.8321       35.23847 609.2189       48.74211 681.7327       51.00427 111.0574 4.493121 117.5028 4.442575 -6.445442      6.318593 
1 1 1 -20 1  20 o 58.74984 3.278101 170.1930       18.77628 174.6400       26.15093 165.4612       26.97562 59.31503 4.538657 57.67303 4.822621 1.641994       6.622468 
1 1 1 -20 1  21 o 26.28964 5.936392 35.69915       14.91352 49.42302       20.38069 19.88042       21.88095 30.85502 6.919262 21.77238 7.925684 9.082649       10.52106 
1 1 1 -20 1  22 o 98.92377 3.468734 482.4326       33.53553 460.2364       41.29888 525.4000       57.46036 96.40786 4.387930 102.6055 5.744194 -6.197594      7.228395 
1 1 1 -20 1  23 o 53.00988 3.908417 139.4299       20.13721 150.0972       26.08644 123.7000       31.67753 54.80075 4.915356 49.23138 6.751225 5.569366       8.351033 
1 1 1 -20 1  24 o 73.24043 3.827044 265.5877       27.34080 267.6000       52.02258 264.8198       32.13695 72.38139 7.448976 72.96857 4.521698 -0.5871735     8.713954 
1 1 1 -20 1  25 o 68.61318 3.576820 232.9877       23.93915 229.0000       37.84583 235.6474       30.90818 67.42107 5.790813 68.75244 4.619630 -1.331367      7.407732 
1 1 1 -20 1  26 o 112.4532 4.935887 631.1481       54.19811 630.6000       76.51867 631.7000       76.77739 111.2863 7.060977 111.3724 7.079515 -0.8607483E-01 9.998846 
1 1 1 -20 1  27 o 91.25923 3.184980 411.4628       28.40688 396.5805       39.48973 427.4221       40.89383 89.15987 4.539839 92.57507 4.526642 -3.415199      6.410977 
1 1 1 -20 1  28 o 60.60895 3.478388 182.2769       20.54912 183.2755       28.94494 181.2622       29.17815 60.35967 4.942378 60.00162 5.013874 0.3580513      7.040315 
1 1 1 -20 1  29 o 79.74393 3.260416 314.8546       25.39569 279.9674       35.01783 353.5608       36.88469 74.67519 4.816472 84.08225 4.497996 -9.407059      6.590172 
1 1 1 -20 1  30 o 14.45638 6.310853 -2.276878      16.86089 20.23381       23.69580 -25.36320      23.99685 21.89416 8.197741 14.02570 6.630250 7.868463       10.54340 
1 1 1 -20 1  31 o 28.00233 7.052705 41.93895       19.31757 60.06486       27.43399 24.11337       27.20577 33.16377 8.433388 23.49174 8.786380 9.672033       12.17877 
1 1 1 -20 1  32 o 58.52451 4.883893 173.2576       27.72276 200.6471       32.88664 106.0000       51.53452 62.78772 5.403556 42.45243 11.91691 20.33529       13.08477 
1 1 1 -20 1  33 o 33.38126 7.663281 60.47664       24.50916 70.52816       28.52153 32.10000       47.92228 35.85497 8.292076 28.28562 11.35222 7.569351       14.05814 
1 1 1 -20 1  34 o 32.67965 7.926190 58.55703       25.09058 71.53000       48.41941 53.79467       29.33665 35.11963 11.86454 31.07415 9.078379 4.045475       14.93936 
1 1 1 -20 1  35 o 25.89462 8.504470 35.84495       24.91216 -32.47000      47.92057 61.14523       29.16264 20.43198 9.567725 32.95262 8.853448 -12.52063      13.03552 
1 1 1 -20 1  36 o 22.95613 8.108485 26.50504       22.71426 -9.938000      37.77953 47.13623       28.42572 19.98350 9.035739 28.95467 9.042346 -8.971167      12.78314 
1 1 1 -20 1  37 o 51.02282 5.310345 134.9003       26.13362 165.1000       43.39415 117.7138       32.73592 54.39978 8.421313 46.42035 7.457076 7.979439       11.24840 
1 1 1 -20 1  38 o 29.12411 8.225205 48.56021       24.47352 27.08136       30.86545 84.93000       40.16405 23.92476 9.259468 37.06350 10.56054 -13.13873      14.04502 
1 1 1 -20 1  39 o 53.42017 4.814333 147.3139       24.90391 167.3348       35.53545 127.9896       34.91173 55.71263 6.647293 47.91053 7.705734 7.802097       10.17668 
1 1 1 -20 1  40 o 18.95247 7.630473 12.94144       21.72399 22.59263       30.89082 3.497925       30.55664 22.79672 9.126298 19.43814 8.490470 3.358580       12.46505 
1 1 1 -20 1  41 o 57.42403 4.598661 170.0938       25.63238 170.2647       37.00026 169.9361       35.54296 55.71546 6.934222 55.91896 6.622012 -0.2034950     9.588247 
1 1 1 -20 1  42 o 36.26811 7.117945 73.79277       24.36618 73.29791       34.75220 74.27127       34.17307 34.26433 9.842749 34.59541 9.701547 -0.3310852     13.82026 
1 1 1 -20 1  43 f 23.13356 8.267856 29.32673       23.67891 12.68221       33.75735 45.44857       33.22311 21.29235 9.109753 27.45565 9.795508 -6.163298      13.37683 
1 1 1 -20 1  44 o 38.57248 7.043720 83.93859       25.61450 71.78800       36.22183 96.09259       36.22691 33.25706 10.17704 39.24855 9.527035 -5.991493      13.94046 
1 1 1 -20 1  45 o 21.89640 8.316996 24.84819       24.58801 21.73348       35.20639 27.81401       34.35464 22.72196 9.489722 23.65523 9.570045 -0.9332714     13.47741 
1 1 1 -20 1  46 o 21.27451 8.251914 22.82369       24.55447 42.77686       35.39006 4.302427       34.09657 26.34352 9.984555 19.76789 8.786845 6.575634       13.30038 
1 1 1 -20 1  47 o 28.67617 8.429625 50.83240       25.22649 58.16425       35.91410 43.69210       35.44187 29.44903 10.21051 26.39252 9.994435 3.056519       14.28787 
1 1 1 -20 1  48 o 26.89573 8.579146 44.68138       25.46312 57.19202       36.08629 32.27558       35.93478 29.24600 10.22904 24.28460 9.800898 4.961403       14.16654 
1 1 1 -20 1  49 f 33.05248 9.076411 69.87122       30.25746 50.41343       35.95409 117.1000       56.01506 27.64897 10.14466 38.10940 12.76055 -10.46044      16.30171 
1 1 1 -20 1  50 o 20.76577 8.314211 20.65963       25.64097 22.07082       36.57418 19.29564       35.95731 22.49432 9.548314 21.99348 9.405626 0.5008354      13.40284 
1 1 1 -20 1  51 o 18.04442 8.379816 -11.15508      35.55402 0.000000       0.000000 -11.15508      35.55402 ?        ?        18.04442 8.379816 ?              ?        
1 1 1 -20 1  52 o 18.93278 8.070606 11.19764       26.32192 -7.177046      37.06155 29.89971       37.39026 18.69580 8.637976 23.62669 9.816518 -4.930882      13.07588 
1 1 1 -20 1  53 o 23.95510 9.871220 32.70206       37.38290 78.27000       56.12718 -3.629000      50.11672 30.80556 12.31212 21.15779 9.867116 9.647778       15.77810 
1 1 1 -20 1  54 o 21.99016 8.914117 26.17678       29.87423 100.7000       51.05412 -12.62579      36.83963 34.64738 12.16326 17.87190 8.375338 16.77548       14.76791 
1 1 1 -20 1  55 o 24.75046 8.746573 40.16989       26.43246 74.64014       37.62531 6.580086       37.14168 31.48246 10.45629 19.76594 8.946124 11.71652       13.76108 
1 1 1 -20 2  1  o 109.7018 4.041904 591.6313       43.32740 574.9000       60.62417 609.1000       61.94558 107.8869 5.761676 111.0659 5.717254 -3.178978      8.116890 
1 1 1 -20 2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 2  3  o 119.2558 4.185970 699.2621       48.78741 648.9000       66.64889 757.4000       71.60951 114.5995 5.962110 123.8407 5.924648 -9.241180      8.405249 
1 1 1 -20 2  4  o 159.6975 3.593538 1251.333       56.17286 1247.207       79.67647 1255.411       79.20644 159.1453 5.121484 159.6775 5.074139 -0.5321198     7.209472 
1 1 1 -20 2  5  o 81.90137 2.973557 329.3008       23.79865 332.2515       33.82722 326.4090       33.48808 82.14079 4.221437 81.41405 4.216646 0.7267380      5.966627 
1 1 1 -20 2  6  o 151.3761 3.490486 1124.249       51.71892 1145.347       74.01602 1104.119       72.29745 152.5183 4.964511 149.7499 4.939065 2.768448       7.002909 
1 1 1 -20 2  7  o 79.72485 3.326554 312.3195       25.90236 349.7000       41.99218 289.3612       32.90900 84.15013 5.122352 76.61441 4.406910 7.535721       6.757170 
1 1 1 -20 2  8  o 55.41833 3.759252 151.4373       20.27136 196.2000       31.00031 117.9987       26.79363 62.94627 5.074380 48.60505 5.742516 14.34122       7.663278 
1 1 1 -20 2  9  o 88.78416 3.100813 387.0409       26.90606 361.3550       37.63472 413.8954       38.48124 85.62589 4.506183 91.68270 4.299986 -6.056816      6.228609 
1 1 1 -20 2  10 o 115.7945 3.196325 658.1870       36.19342 620.0117       50.57029 698.2772       51.82315 112.2000 4.614497 119.1072 4.452919 -6.907288      6.412649 
1 1 1 -20 2  11 o 36.95037 4.380921 68.04302       15.53698 88.09935       21.87376 47.62004       22.07280 41.93935 5.457719 30.40359 7.471214 11.53576       9.252337 
1 1 1 -20 2  12 o 62.30508 3.288499 191.0072       19.98420 170.5361       27.72662 213.1393       28.82949 58.66372 4.872541 65.67911 4.511799 -7.015385      6.640632 
1 1 1 -20 2  13 o 23.38822 6.268240 27.96246       14.64033 15.89967       20.01042 41.85733       21.47631 20.32743 7.548604 28.53678 7.566547 -8.209351      10.68803 
1 1 1 -20 2  14 o 88.18880 3.107781 382.0705       26.78494 363.6071       36.77695 402.9271       39.08782 85.86552 4.390306 90.39416 4.431189 -4.528641      6.237806 
1 1 1 -20 2  15 f 23.35004 6.234003 27.91053       14.51526 24.63686       19.77275 31.73670       21.37626 22.82463 7.580013 25.27980 7.832905 -2.455164      10.90005 
1 1 1 -20 2  16 o 27.62796 5.697250 39.08247       14.89512 39.65726       20.08032 38.37928       22.21010 27.74577 7.297599 27.42352 7.865827 0.3222542      10.72969 
1 1 1 -20 2  17 o 33.63492 4.645305 56.78524       14.88575 69.72694       20.46502 42.24551       21.69176 37.11064 5.825539 28.61144 7.612730 8.499199       9.585957 
1 1 1 -20 2  18 o 54.84224 3.393669 148.3562       18.12834 144.5052       25.04968 152.5911       26.26842 53.91171 4.796970 55.39343 4.895052 -1.481724      6.853645 
1 1 1 -20 2  19 o 47.06450 3.773532 109.6875       17.23837 115.1488       23.96379 103.8309       24.81602 47.98888 5.183797 45.43533 5.705460 2.553551       7.708698 
1 1 1 -20 2  20 o 48.61361 3.677130 116.9701       17.36763 119.1636       23.95474 114.5393       25.21691 48.82454 5.086932 47.77398 5.492354 1.050564       7.486176 
1 1 1 -20 2  21 o 88.89398 3.938520 390.2750       34.18473 385.5000       47.29226 395.5000       49.47028 87.96483 5.520394 89.04962 5.705542 -1.084793      7.939015 
1 1 1 -20 2  22 o 12.16789 5.695175 -16.52065      16.94550 0.2133000      35.48000 -21.46585      19.28752 21.66707 9.305977 12.61779 5.958514 9.049277       11.05012 
1 1 1 -20 2  23 o 106.7044 3.089319 560.6959       32.23249 513.9042       44.06623 614.5373       47.26939 101.8163 4.432250 111.3836 4.343961 -9.567375      6.206032 
1 1 1 -20 2  24 o 54.29673 3.554255 146.0220       18.78600 138.4923       25.53141 154.9113       27.74072 52.55782 5.023923 55.57718 5.158218 -3.019356      7.200487 
1 1 1 -20 2  25 o 42.36000 4.188050 89.68861       17.13796 83.88367       23.24756 96.59861       25.36398 40.49330 6.050553 43.48734 6.128386 -2.994041      8.611986 
1 1 1 -20 2  26 o 52.66616 3.716213 137.8042       19.03448 126.8751       26.04253 150.3389       27.88997 50.10554 5.394871 54.62093 5.282388 -4.515385      7.550381 
1 1 1 -20 2  27 o 92.15864 3.836471 421.4292       34.53213 428.6996       41.17855 404.2000       63.39017 92.69473 4.552399 88.64277 7.372555 4.051956       8.664808 
1 1 1 -20 2  28 o 91.80010 3.187431 416.6422       28.59768 409.9833       40.00996 423.5976       40.89088 90.60040 4.525943 92.08578 4.550667 -1.485382      6.418157 
1 1 1 -20 2  29 o 64.96500 3.484989 209.5153       22.07978 215.7812       31.17758 203.2107       31.27368 65.48719 4.899357 63.47733 5.075568 2.009857       7.054438 
1 1 1 -20 2  30 o 50.31088 4.142759 126.8534       20.22069 130.3747       28.11659 123.0810       29.10160 50.45781 5.798071 48.84493 6.228311 1.612881       8.509377 
1 1 1 -20 2  31 o 62.56107 6.496336 202.1687       39.20280 210.5000       56.82040 194.6000       54.15765 61.98154 9.682073 59.60112 9.609990 2.380413       13.64164 
1 1 1 -20 2  32 o 13.50226 6.316759 -18.53601      20.80558 -13.97703      23.47069 -35.26000      44.95336 15.19801 6.967831 19.71174 9.242103 -4.513730      11.57442 
1 1 1 -20 2  33 o 33.46099 6.268508 59.04385       19.77671 61.10230       27.46228 56.82631       28.50376 33.29538 8.421938 32.02415 8.815570 1.271225       12.19194 
1 1 1 -20 2  34 o 84.01974 3.570940 351.8495       29.30075 336.0882       41.68550 367.2413       41.19389 81.25458 5.269626 85.13239 4.965017 -3.877808      7.240190 
1 1 1 -20 2  35 o 55.34126 6.386228 160.3693       33.96012 0.000000       0.000000 160.3693       33.96012 ?        ?        55.34126 6.386228 ?              ?        
1 1 1 -20 2  36 o 26.65780 9.160357 38.31976       28.88229 0.000000       0.000000 38.31976       28.88229 ?        ?        26.65780 9.160357 ?              ?        
1 1 1 -20 2  37 o 15.84510 6.907464 -0.5823879     20.13927 -0.4486705     29.45906 -0.6997160     27.59472 18.84693 8.281444 18.26953 8.021829 0.5774002      11.52962 
1 1 1 -20 2  38 o 17.06135 7.253128 4.315561       21.15918 24.62559       30.57167 -14.35916      29.31507 23.36930 9.166319 16.80114 7.733726 6.568151       11.99299 
1 1 1 -20 2  39 o 41.97160 6.593365 95.53946       26.19547 83.10664       32.94850 116.9000       43.18740 37.51814 9.072488 43.70010 10.27110 -6.181961      13.70422 
1 1 1 -20 2  40 o 18.36449 7.540585 10.33190       21.71326 0.8828346      30.89966 19.54915       30.51828 19.13257 8.441346 22.14597 8.997782 -3.013395      12.33760 
1 1 1 -20 2  41 f 15.97087 7.099571 -2.878520      22.26315 12.01567       32.34761 -16.28329      30.68763 21.09639 8.968250 16.81007 7.799244 4.286325       11.88519 
1 1 1 -20 2  42 o 41.20626 6.341299 92.46901       24.75803 107.5918       36.12053 79.06835       34.00174 42.50546 8.964294 35.83602 9.529338 6.669434       13.08308 
1 1 1 -20 2  43 o 21.03799 8.089632 21.17662       23.44932 53.85660       33.42162 -10.50860      32.90902 29.39528 9.856874 17.96126 8.240649 11.43402       12.84781 
1 1 1 -20 2  44 o 37.22508 7.274920 78.97182       25.55689 42.17787       36.10213 115.9324       36.18379 26.66893 10.08983 44.04644 8.701363 -17.37751      13.32360 
1 1 1 -20 2  45 o 39.31524 6.954875 87.34927       25.78531 50.71329       37.10070 121.5810       35.86267 28.21800 10.31293 45.22084 8.411607 -17.00284      13.30833 
1 1 1 -20 2  46 o 39.50341 6.996907 88.94505       26.06484 69.73024       37.69935 106.5413       36.07666 32.04011 10.45826 41.31294 9.161632 -9.272831      13.90362 
1 1 1 -20 2  47 o 23.20047 9.066472 29.44732       29.81700 23.03453       36.25957 42.84000       52.40021 22.74689 9.573771 26.86228 11.41670 -4.115383      14.89960 
1 1 1 -20 2  48 o 27.38175 9.371639 47.69508       30.22203 55.46330       36.43418 30.56000       54.11172 28.84121 10.26138 25.54980 11.22539 3.291412       15.20872 
1 1 1 -20 2  49 o 28.93722 8.581950 52.43047       26.05112 36.27371       36.71984 68.80374       36.96506 24.92171 9.959218 31.61161 10.35821 -6.689896      14.36936 
1 1 1 -20 2  50 o 29.53247 9.206179 56.55387       29.47922 17.96000       50.33575 76.70150       36.36882 23.58278 10.56594 33.47830 10.18845 -9.895519      14.67800 
1 1 1 -20 2  51 o 19.32944 8.161425 12.78739       26.48583 -13.89712      39.14783 35.31201       35.96722 18.54449 8.672128 24.58598 9.845944 -6.041487      13.12053 
1 1 1 -20 2  52 o 24.25182 9.295695 35.59172       30.89484 12.41000       55.26232 46.13112       37.26183 23.33146 10.69491 26.46292 10.19185 -3.131460      14.77345 
1 1 1 -20 2  53 o 50.83660 5.879060 142.9203       28.71587 179.3130       41.70254 110.1052       39.59974 54.44108 8.069777 40.16719 10.08729 14.27389       12.91800 
1 1 1 -20 2  54 o 23.25971 9.082058 32.59432       29.89927 8.091472       37.42618 75.82000       49.70935 20.22694 9.082789 30.47232 11.76229 -10.24539      14.86098 
1 1 1 -20 2  55 f 15.90026 7.313917 -6.274171      26.15474 -35.87123      37.19182 22.68407       36.78826 15.82382 7.678491 21.80607 9.421687 -5.982251      12.15432 
1 1 1 -20 3  1  o 133.9950 4.758029 883.7272       62.30631 927.9000       92.20000 846.6000       84.52789 136.8852 6.903550 130.7974 6.623856 6.087830       9.567365 
1 1 1 -20 3  2  o 125.6004 4.315281 775.8059       52.97378 707.7000       71.91483 856.6000       78.32780 119.6493 6.161224 131.6792 6.093567 -12.02988      8.665578 
1 1 1 -20 3  3  o 124.7920 3.164300 764.1656       38.62070 763.3903       55.16273 764.9112       54.08894 124.5576 4.532042 124.6954 4.438592 -0.1377792     6.343541 
1 1 1 -20 3  4  o 260.9091 5.172134 3349.474       132.0886 3345.111       186.9245 3353.827       186.6786 259.9315 7.354241 260.2781 7.334725 -0.3465881     10.38668 
1 1 1 -20 3  5  o 171.2184 3.758671 1438.863       62.99279 1431.719       89.18483 1445.974       88.98603 170.4604 5.351796 171.3161 5.313036 -0.8556366     7.541225 
1 1 1 -20 3  6  f 18.88237 6.102785 17.05423       12.85487 14.38736       17.65862 20.06075       18.74945 19.23745 7.100766 21.24010 7.376770 -2.002657      10.23902 
1 1 1 -20 3  7  o 12.16912 5.336104 -3.031806      12.17353 -8.979742      16.11440 4.875087       18.57949 13.03402 5.896591 17.03412 6.982666 -4.000107      9.139333 
1 1 1 -20 3  8  o 106.7924 3.099007 559.7523       32.36007 535.9935       45.59259 583.8718       45.93745 104.3364 4.474688 108.9269 4.317045 -4.590439      6.217693 
1 1 1 -20 3  9  o 28.38860 5.487886 41.02907       14.69773 24.03186       19.67575 62.48752       22.10761 22.65820 7.562364 34.99277 6.698313 -12.33457      10.10231 
1 1 1 -20 3  10 o 76.24555 3.177667 285.6487       23.66334 296.2501       34.08672 275.7870       32.87614 77.49635 4.513164 74.76266 4.513541 2.733688       6.382844 
1 1 1 -20 3  11 o 49.70829 3.672883 121.9672       17.74450 116.1320       24.71972 128.1701       25.48688 48.26622 5.320484 50.75310 5.203980 -2.486885      7.442376 
1 1 1 -20 3  12 o 76.56936 3.164387 288.1268       23.66540 288.0089       32.91722 288.2530       34.04724 76.40395 4.420378 76.41496 4.572868 -0.1100922E-01 6.360099 
1 1 1 -20 3  13 o 79.00533 3.467569 307.0061       26.75030 356.0000       42.82315 275.6543       34.25619 84.84276 5.181236 74.69194 4.709509 10.15082       7.001763 
1 1 1 -20 3  14 o 155.5186 3.584756 1187.789       54.56927 1165.534       76.19837 1211.220       78.18517 153.7080 5.071517 156.6866 5.104653 -2.978577      7.195677 
1 1 1 -20 3  15 o 46.10063 3.826775 105.1575       17.11262 81.09692       22.89123 135.6374       25.76460 40.06900 6.022674 52.20686 5.107097 -12.13787      7.896521 
1 1 1 -20 3  16 o 33.59652 4.786719 56.72128       15.29650 60.60447       20.71806 52.06787       22.67985 34.44543 6.379738 31.72941 7.433460 2.716026       9.795784 
1 1 1 -20 3  17 o 125.6570 3.234874 775.9568       39.75475 731.9628       54.90833 824.4272       57.63407 121.7797 4.614700 129.2651 4.562189 -7.485352      6.489146 
1 1 1 -20 3  18 o 62.44075 3.277764 192.0760       19.96312 202.8986       28.00619 180.8969       28.46360 63.99954 4.499322 60.34933 4.859546 3.650204       6.622619 
1 1 1 -20 3  19 o 122.0320 3.189188 732.2129       38.06165 713.4369       53.28106 751.7790       54.39069 120.1711 4.537824 123.3689 4.511747 -3.197807      6.399040 
1 1 1 -20 3  20 o 29.07495 5.864491 43.43771       16.11344 35.20478       20.13044 58.12000       26.88271 26.17899 7.482035 33.33311 8.277242 -7.154125      11.15767 
1 1 1 -20 3  21 o 61.76884 3.989109 188.9017       23.98960 140.1000       44.74841 208.5842       28.41849 51.80248 9.160144 64.82036 4.507096 -13.01788      10.20893 
1 1 1 -20 3  22 o 77.68623 3.087615 297.3050       23.43190 298.2881       32.48570 296.2389       33.83063 77.57985 4.294723 77.26672 4.492505 0.3131332      6.215082 
1 1 1 -20 3  23 o 73.13866 3.136348 263.7537       22.40098 253.4679       30.82887 275.2590       32.60525 71.43117 4.431056 74.43336 4.496178 -3.002190      6.312676 
1 1 1 -20 3  24 o 92.43599 3.089925 421.1614       27.91800 425.9878       38.94275 416.0581       40.04433 92.65722 4.305565 91.51589 4.483968 1.141327       6.216418 
1 1 1 -20 3  25 o 60.47751 3.312268 180.8759       19.53279 158.8685       26.07858 208.9989       29.48021 56.34455 4.773403 64.70177 4.686644 -8.357224      6.689545 
1 1 1 -20 3  26 o 47.75078 3.882692 113.5827       17.99115 96.01984       23.95720 136.2977       27.24545 43.39606 5.783894 51.92933 5.440805 -8.533268      7.940768 
1 1 1 -20 3  27 o 19.19939 6.714583 16.94472       15.54909 -15.11909      20.45844 60.79863       23.92594 13.90797 6.423002 33.86729 7.422755 -19.95932      9.815918 
1 1 1 -20 3  28 o 75.34278 3.692889 281.8550       27.15120 309.0000       43.16387 264.0823       34.92636 78.14959 5.681510 72.50814 4.950780 5.641449       7.535900 
1 1 1 -20 3  29 o 37.95064 6.112859 74.63467       21.93632 94.92268       25.55929 17.90000       42.74186 42.83711 6.282296 25.61659 10.55539 17.22052       12.28346 
1 1 1 -20 3  30 o 41.94451 5.752047 90.50672       22.99449 77.32272       26.54829 130.1000       46.00699 38.13307 7.379397 48.40110 10.04045 -10.26804      12.46058 
1 1 1 -20 3  31 o 26.45056 7.821487 37.33716       21.66457 41.24735       24.87403 25.05000       44.09338 27.73513 8.422913 26.77497 10.83843 0.9601669      13.72651 
1 1 1 -20 3  32 o 13.93893 6.280571 -7.654160      18.06771 -20.57973      24.04641 9.103820       27.38017 14.55989 6.804821 20.30508 8.415212 -5.745189      10.82226 
1 1 1 -20 3  33 o 65.54031 3.829658 214.7500       24.46124 192.3969       33.95097 238.8788       35.27376 61.22604 5.731760 68.49246 5.302688 -7.266426      7.808430 
1 1 1 -20 3  34 o 14.67694 6.613503 -7.929121      20.03748 -12.68000      30.57450 -4.352371      26.52875 17.77238 8.072750 17.62817 7.797575 0.1442108      11.22370 
1 1 1 -20 3  35 o 87.92713 4.562593 390.8409       39.13387 434.8000       56.57100 350.5000       54.19286 91.40479 6.362657 81.64705 6.843947 9.757736       9.344679 
1 1 1 -20 3  36 o 33.93258 7.816487 63.96556       25.42673 -6.459000      50.58250 87.77786       29.41297 23.24032 10.48676 39.90091 7.810661 -16.66059      13.07588 
1 1 1 -20 3  37 o 22.39671 8.344954 23.94526       24.49426 -17.46000      51.25552 36.19977       27.88437 22.09539 10.19069 25.85296 8.995052 -3.757570      13.59269 
1 1 1 -20 3  38 o 29.98924 7.448261 50.53970       21.76472 50.65426       31.94788 50.44048       29.73142 29.37098 9.629962 29.36300 9.258794 0.7978439E-02  13.35895 
1 1 1 -20 3  39 f 57.74834 5.184039 173.4353       28.99165 176.3166       36.62488 168.6000       47.44477 57.16367 6.670852 53.60192 9.384509 3.561752       11.51387 
1 1 1 -20 3  40 o 28.00667 8.609020 45.83459       25.88334 41.18885       32.62133 53.73000       42.52669 26.86428 9.691583 29.76576 11.01355 -2.901482      14.67055 
1 1 1 -20 3  41 o 13.53764 6.380463 -19.14957      21.92033 -57.56962      31.68708 16.11000       30.35581 13.55353 6.681726 21.39630 8.863464 -7.842767      11.09984 
1 1 1 -20 3  42 o 19.92615 7.901841 16.49449       22.94267 6.452783       33.46817 25.39654       31.51179 20.40378 8.899499 23.24565 9.246925 -2.841871      12.83381 
1 1 1 -20 3  43 o 17.44807 7.569686 3.313866       23.94349 -5.598354      33.94622 12.13736       33.77683 18.80585 8.527955 21.20494 9.093196 -2.399084      12.46644 
1 1 1 -20 3  44 o 21.68788 8.315200 23.50554       24.72563 57.20344       35.51588 -8.187944      34.44341 29.88291 10.16080 18.52891 8.474636 11.35399       13.23107 
1 1 1 -20 3  45 o 16.04975 7.264209 -5.613770      24.48927 -19.45492      35.41676 7.066627       33.89919 17.46384 8.193009 20.23830 8.888533 -2.774458      12.08848 
1 1 1 -20 3  46 o 16.99186 7.510087 0.9177809      24.56107 -20.39931      35.62595 20.22735       33.90696 17.32018 8.154245 22.09256 9.275707 -4.772387      12.35032 
1 1 1 -20 3  47 o 37.22125 8.629011 85.48143       30.82471 89.49519       37.66426 77.34000       53.64194 36.53129 10.16342 31.78577 12.23199 4.745520       15.90335 
1 1 1 -20 3  48 o 30.15837 8.427545 56.20523       25.83550 102.2557       37.18592 13.23498       35.92075 39.79092 9.648354 21.24522 9.243818 18.54569       13.36185 
1 1 1 -20 3  49 o 20.62746 8.532551 17.88867       28.07521 -7.958000      48.03803 31.29682       34.59929 20.81600 9.691846 23.87912 9.624207 -3.063124      13.65860 
1 1 1 -20 3  50 o 32.05595 9.115809 66.25880       29.95570 73.10000       52.87305 63.02477       36.35307 30.85112 12.06828 30.27392 10.28005 0.5771961      15.85316 
1 1 1 -20 3  51 o 18.47942 8.180398 4.048438       29.25213 7.321681       37.80116 -0.8376000     46.18430 20.58842 9.195213 21.06428 9.700086 -0.4758587     13.36576 
1 1 1 -20 3  52 o 41.88248 7.237606 102.4833       28.59830 122.8022       43.03727 86.41710       38.26948 42.22336 10.46611 35.09630 10.39981 7.127056       14.75451 
1 1 1 -20 3  53 o 38.46954 8.681650 93.68095       31.91203 65.18000       58.13073 105.9754       38.17949 28.86012 12.13290 39.58119 9.884766 -10.72107      15.64978 
1 1 1 -20 3  54 o 20.03530 8.282639 18.29878       26.43307 33.01466       37.97041 4.461001       36.82014 23.75226 9.882504 19.67288 8.905334 4.079372       13.30297 
1 1 1 -20 3  55 o 21.07993 8.775990 22.57940       29.96990 23.69072       37.76908 20.69000       49.24677 22.04678 9.536103 22.72767 10.29251 -0.6808910     14.03114 
1 1 1 -20 4  1  o 122.5793 3.627324 737.9684       43.47419 875.3000       86.53690 691.6075       50.27962 132.9757 6.669781 118.5719 4.339474 14.40378       7.957199 
1 1 1 -20 4  2  o 97.22337 3.474112 464.3286       33.00822 461.6000       63.93306 465.3203       38.54246 96.43115 6.817269 97.26201 4.057371 -0.8308563     7.933311 
1 1 1 -20 4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 4  4  o 90.69965 2.944946 403.7479       26.11037 399.0736       37.45292 408.1679       36.42002 90.03370 4.261956 91.07634 4.095822 -1.042641      5.911009 
1 1 1 -20 4  5  f 161.2117 3.625834 1275.390       57.21511 1227.553       80.03860 1325.380       81.81956 157.8530 5.187172 164.0461 5.101682 -6.193085      7.275570 
1 1 1 -20 4  6  o 50.87803 3.476841 127.5947       17.21090 99.51549       23.65374 159.1859       25.08943 44.61627 5.534893 56.72880 4.556657 -12.11253      7.169250 
1 1 1 -20 4  7  o 65.77380 3.134775 212.6458       20.12397 186.7529       28.14609 239.7252       28.78381 61.45102 4.715346 69.72856 4.237270 -8.277546      6.339475 
1 1 1 -20 4  8  o 166.7634 3.728483 1365.119       60.86102 1329.641       85.91224 1400.858       86.22960 164.2383 5.351240 168.6103 5.231085 -4.371964      7.483316 
1 1 1 -20 4  9  o 116.5373 3.190045 666.6593       36.35460 641.5344       51.36522 691.8782       51.46124 114.1323 4.607316 118.5584 4.442327 -4.426125      6.400127 
1 1 1 -20 4  10 o 93.88618 3.432956 433.1463       31.49519 486.1000       51.76933 402.0304       39.68402 99.19199 5.351813 90.31219 4.503345 8.879807       6.994428 
1 1 1 -20 4  11 o 112.9754 3.158247 626.6475       34.89071 605.6000       48.93798 648.4063       49.75807 110.8752 4.518728 114.7460 4.438534 -3.870758      6.333995 
1 1 1 -20 4  12 o 55.85957 3.379888 153.7023       18.39371 152.1770       25.24993 155.4268       26.84891 55.41356 4.699475 55.96833 4.951967 -0.5547752     6.826935 
1 1 1 -20 4  13 o 70.50456 3.124388 244.3793       21.50842 255.2353       29.79345 232.5637       31.08247 71.92200 4.251030 68.58401 4.657692 3.337997       6.305978 
1 1 1 -20 4  14 o 132.5887 3.334169 863.5615       43.23702 865.8841       60.74685 861.1769       61.55389 132.5286 4.690220 132.1517 4.766377 0.3768616      6.687041 
1 1 1 -20 4  15 o 105.0695 3.127833 542.3232       32.13236 535.5510       44.63554 549.6080       46.29386 104.2224 4.385155 105.5650 4.490456 -1.342583      6.276447 
1 1 1 -20 4  16 o 60.53358 3.222147 180.4271       19.02306 180.4442       25.97034 180.4072       27.94320 60.37536 4.425262 60.31370 4.772053 0.6166077E-01  6.508106 
1 1 1 -20 4  17 f 44.32732 3.781080 97.32775       16.24918 88.89014       22.13967 107.1798       23.92349 42.05240 5.511164 46.26561 5.383169 -4.213207      7.703989 
1 1 1 -20 4  18 o 30.80439 4.920736 47.99352       14.33810 43.76060       19.42770 53.05713       21.24871 29.07426 6.925900 32.03848 6.974070 -2.964214      9.828822 
1 1 1 -20 4  19 o 11.27897 5.244250 -12.48124      13.98965 -13.69726      17.43059 -10.28000      23.45178 12.85190 5.932935 16.03612 7.196270 -3.184216      9.326629 
1 1 1 -20 4  20 o 97.20335 3.640237 465.7792       34.57396 424.2000       61.86023 484.6677       41.69394 91.88217 6.929253 99.01488 4.312299 -7.132713      8.161524 
1 1 1 -20 4  21 f 60.28537 3.325360 179.3597       19.54660 178.0491       27.00552 180.8018       28.32801 59.82783 4.647946 60.24977 4.844260 -0.4219398     6.713439 
1 1 1 -20 4  22 o 85.03774 3.053732 356.1458       25.37716 393.1695       35.98971 319.5348       35.78860 89.12611 4.136694 80.22404 4.576562 8.902077       6.169048 
1 1 1 -20 4  23 o 37.11118 4.419865 69.10583       15.74024 70.86224       21.02994 66.86855       23.73483 37.22532 5.973554 35.87414 7.010692 1.351185       9.210491 
1 1 1 -20 4  24 o 93.27561 3.070763 428.8627       27.99808 438.1568       39.34487 419.3282       39.85050 93.96594 4.289021 91.87390 4.444528 2.092041       6.176530 
1 1 1 -20 4  25 o 94.12448 3.073570 436.9200       28.27933 436.8081       39.20121 437.0414       40.83482 93.77785 4.281939 93.74377 4.463043 0.3408813E-01  6.184962 
1 1 1 -20 4  26 o 80.06858 3.152926 316.6610       24.66223 318.9990       34.10946 314.0999       35.70020 80.02867 4.370941 79.33014 4.617507 0.6985321      6.358183 
1 1 1 -20 4  27 f 112.7909 3.849343 631.2301       42.43557 666.8000       78.79229 616.6971       50.36400 114.1004 7.089918 111.1410 4.639764 2.959427       8.473155 
1 1 1 -20 4  28 o 36.04072 5.052069 66.21244       17.33372 52.78149       22.87935 84.30804       26.55686 31.44448 7.532569 40.10426 7.020843 -8.659779      10.29718 
1 1 1 -20 4  29 o 58.93444 5.002037 175.2730       28.58274 187.5000       35.22395 151.7000       48.90863 60.57079 6.020750 52.59336 9.862773 7.977421       11.55525 
1 1 1 -20 4  30 o 51.60461 7.300977 139.8070       35.84996 142.5000       52.77777 137.5000       48.84887 50.07913 11.06235 49.55425 10.40282 0.5248795      15.18533 
1 1 1 -20 4  31 o 20.39701 7.249678 19.29882       18.18167 14.21299       24.35717 25.69870       27.32321 20.56081 8.145532 23.85644 8.827833 -3.295626      12.01167 
1 1 1 -20 4  32 o 35.14015 5.945682 64.42150       19.72222 56.24804       26.84390 74.00809       29.07200 32.01480 8.445734 36.81634 8.269842 -4.801537      11.82035 
1 1 1 -20 4  33 o 20.24789 7.646084 17.07217       20.70955 21.47000       30.98241 13.52024       27.84381 23.48924 9.223400 21.19854 8.601235 2.290709       12.61160 
1 1 1 -20 4  34 o 12.54073 5.954965 -22.27554      19.77941 -37.49000      29.60322 -10.00600      26.58429 14.76514 7.085614 16.80233 7.590166 -2.037193      10.38347 
1 1 1 -20 4  35 o 34.57804 6.193116 63.41426       20.19136 82.89277       28.30984 43.24639       28.80643 38.92494 7.703048 28.02470 9.141546 10.90024       11.95428 
1 1 1 -20 4  36 o 24.23221 7.584672 31.76833       19.98794 33.80206       28.82179 29.88394       27.74347 25.48722 9.120191 24.42429 8.919385 1.062935       12.75670 
1 1 1 -20 4  37 o 13.73934 6.532716 -25.44126      23.95967 -41.52000      50.84776 -20.85235      27.16442 19.99373 9.509439 15.40038 7.208982 4.593349       11.93310 
1 1 1 -20 4  38 o 63.47380 4.996515 208.0706       30.79318 135.8000       59.95222 233.9691       35.88896 44.59620 12.96344 66.94577 5.526030 -22.34958      14.09212 
1 1 1 -20 4  39 o 30.38476 7.528227 52.29409       22.27429 63.77734       31.11033 40.21600       31.90595 32.64476 9.292012 26.73333 9.592241 5.911430       13.35487 
1 1 1 -20 4  40 o 15.95042 7.242171 -8.312442      24.57553 13.04387       30.13006 -50.76000      42.47792 20.87955 8.753667 17.05705 8.260123 3.822500       12.03563 
1 1 1 -20 4  41 o 39.06549 7.502519 86.20085       27.64587 61.84439       34.28177 131.5000       46.75211 31.56856 9.940475 45.58662 10.66770 -14.01806      14.58125 
1 1 1 -20 4  42 o 42.25838 6.234968 96.97263       25.01633 79.17728       36.06656 113.4718       34.72824 35.46437 9.974352 44.17305 8.337489 -8.708675      13.00005 
1 1 1 -20 4  43 o 24.03088 8.464595 32.52322       24.74008 11.01339       35.63349 52.54158       34.37590 21.37438 9.253912 29.02173 9.992845 -7.647354      13.61954 
1 1 1 -20 4  44 o 27.50247 8.619479 45.56641       25.80552 50.82152       37.47892 40.82932       35.58381 28.43137 10.36932 26.36465 10.00739 2.066717       14.41078 
1 1 1 -20 4  45 o 22.01915 8.427349 25.17193       25.36714 3.877039       36.80936 44.43309       35.00755 20.36540 9.086167 26.84550 9.981436 -6.480095      13.49769 
1 1 1 -20 4  46 o 30.48405 9.362439 59.65211       30.62014 45.84900       37.34229 87.98000       53.49580 26.96394 10.24774 33.80350 12.37901 -6.839563      16.07035 
1 1 1 -20 4  47 o 24.88062 8.536849 37.39682       25.08163 45.34547       36.54531 30.31884       34.48577 26.72335 10.14212 23.78546 9.600619 2.937893       13.96548 
1 1 1 -20 4  48 o 23.94384 8.967808 33.45864       28.36097 21.00000       50.14301 39.31897       34.39033 24.04232 10.67304 25.44483 9.793484 -1.402515      14.48537 
1 1 1 -20 4  49 o 50.01881 6.678704 141.1267       31.88237 211.4000       58.07584 110.8116       38.14426 55.59362 11.06171 41.38020 9.603061 14.21342       14.64856 
1 1 1 -20 4  50 o 21.14454 8.745862 19.79046       29.49384 25.70438       37.96659 10.79000       46.83776 23.19235 9.780853 22.38174 10.09598 0.8106117      14.05681 
1 1 1 -20 4  51 o 49.69991 5.891343 135.8628       28.10322 168.5297       41.41531 107.9841       38.25988 52.79063 8.287585 40.46758 9.770604 12.32305       12.81206 
1 1 1 -20 4  52 o 25.00081 8.729136 39.02509       26.27264 55.34071       38.56445 24.89413       35.88980 28.19530 10.47760 22.66168 9.530597 5.533625       14.16377 
1 1 1 -20 4  53 o 22.76252 9.016725 29.46881       29.84271 10.72000       54.07187 37.68129       35.78671 22.81687 10.50302 24.64891 9.837992 -1.832041      14.39095 
1 1 1 -20 4  54 o 32.39043 9.400695 71.52335       31.54941 25.35000       55.83602 93.17884       38.23866 24.00443 10.90582 36.03195 10.31653 -12.02752      15.01225 
1 1 1 -20 4  55 o 28.24721 9.440776 55.81874       30.66253 52.16849       39.07326 61.67000       49.47012 26.69259 10.39379 27.75585 11.38767 -1.063253      15.41785 
1 1 1 -20 5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 5  2  o 132.2913 3.223124 858.3561       41.73635 837.5413       59.38513 878.6722       58.66961 130.4438 4.658497 133.6389 4.491503 -3.195053      6.471105 
1 1 1 -20 5  3  o 107.4240 3.009879 566.2792       31.61756 520.9943       44.51911 612.3657       44.91145 102.8730 4.431582 111.5873 4.118908 -8.714294      6.050151 
1 1 1 -20 5  4  o 99.71466 2.989977 487.9655       29.15024 473.7074       41.75116 501.5264       40.71761 98.09290 4.359241 100.9675 4.128682 -2.874626      6.004082 
1 1 1 -20 5  5  o 97.06059 3.013888 462.3851       28.59892 431.6328       40.63711 492.5627       40.25555 93.61346 4.447563 100.0596 4.118985 -6.446167      6.061918 
1 1 1 -20 5  6  o 64.53356 3.136707 204.7236       19.75437 188.7224       27.96328 220.6645       27.91058 61.78289 4.658268 66.88183 4.285941 -5.098938      6.329988 
1 1 1 -20 5  7  o 169.9269 4.287334 1419.681       71.25391 1465.000       123.7147 1397.186       87.16261 171.8575 7.371530 168.3720 5.295346 3.485489       9.076351 
1 1 1 -20 5  8  o 216.9949 5.126909 2317.903       108.8959 2342.000       188.4331 2305.819       133.4335 216.6876 8.903135 216.0153 6.317437 0.6722412      10.91677 
1 1 1 -20 5  9  o 196.6950 4.764645 1903.386       91.73394 1982.000       161.0452 1865.628       111.6105 199.5141 8.264364 194.3857 5.872636 5.128387       10.13842 
1 1 1 -20 5  10 o 48.22929 3.686884 114.8711       17.27317 123.7047       23.97667 105.3397       24.90571 49.88458 4.976736 45.87788 5.666425 4.006695       7.541636 
1 1 1 -20 5  11 o 98.33861 3.064940 474.8462       29.46603 472.3062       41.39949 477.4540       41.94846 97.91496 4.330274 98.44309 4.364207 -0.5281372     6.147974 
1 1 1 -20 5  12 o 63.67037 3.206891 199.4313       19.92174 198.0397       27.17988 201.0468       29.28493 63.30135 4.414263 63.73723 4.727680 -0.4358788     6.468127 
1 1 1 -20 5  13 o 182.3396 3.956489 1634.095       70.61505 1609.579       98.98154 1659.506       100.7721 180.4972 5.609253 183.2732 5.624048 -2.776077      7.943151 
1 1 1 -20 5  14 o 86.49792 3.061489 367.6133       25.87969 351.8453       35.03103 386.5593       38.39926 84.46500 4.250775 88.51291 4.446344 -4.047905      6.151347 
1 1 1 -20 5  15 o 64.31556 3.104964 203.5099       19.48920 181.1452       26.53728 229.6962       28.71514 60.48502 4.514886 68.17847 4.325160 -7.693447      6.252295 
1 1 1 -20 5  16 o 78.62670 3.035488 303.9280       23.31783 283.0196       32.47107 326.1907       33.50608 75.67854 4.402473 81.29282 4.225308 -5.614281      6.102049 
1 1 1 -20 5  17 o 113.6100 3.168040 634.4484       35.19567 612.8113       48.77682 657.9503       50.83538 111.4117 4.481915 115.4427 4.507428 -4.030952      6.356451 
1 1 1 -20 5  18 o 97.83537 4.441783 472.9668       42.42533 390.7000       62.04703 545.2000       58.14029 88.17847 7.252786 104.7444 5.692135 -16.56590      9.219724 
1 1 1 -20 5  19 o 20.05074 6.413060 19.61565       14.22087 7.841833       19.20618 33.90390       21.15788 17.88830 7.184191 25.83865 7.751275 -7.950354      10.56858 
1 1 1 -20 5  20 f 114.5095 3.785309 646.6842       42.36934 566.8000       73.40378 686.5971       51.88529 106.1627 7.104731 117.8076 4.507822 -11.64497      8.414135 
1 1 1 -20 5  21 o 70.51317 3.142039 245.0399       21.63196 273.5834       30.27330 215.2612       30.92143 74.32326 4.178121 65.75879 4.837827 8.564468       6.392282 
1 1 1 -20 5  22 o 61.48182 3.219643 186.5684       19.30832 176.8701       26.06715 198.3577       28.74034 59.61643 4.500288 63.11049 4.685909 -3.494061      6.496948 
1 1 1 -20 5  23 o 48.21658 3.658164 115.3519       17.13614 110.0623       22.74991 122.2888       26.05281 46.80183 5.045685 49.24615 5.498466 -2.444324      7.462712 
1 1 1 -20 5  24 o 71.99628 3.154659 255.8454       22.17753 261.9028       30.69056 249.2257       32.08331 72.57466 4.340124 70.70421 4.661843 1.870453       6.369416 
1 1 1 -20 5  25 o 74.86421 3.120353 276.7077       22.81556 263.2221       31.10450 292.4142       33.56833 72.70261 4.391335 76.61021 4.496248 -3.907600      6.284908 
1 1 1 -20 5  26 o 121.6361 3.892972 733.6355       46.29034 775.7000       84.98795 715.8928       55.19620 123.2646 7.073593 119.7914 4.716579 3.473297       8.501873 
1 1 1 -20 5  27 f 33.13942 5.335992 56.36205       16.72117 52.02697       21.69760 62.70177       26.23903 31.31328 7.225853 34.21950 7.980917 -2.906223      10.76606 
1 1 1 -20 5  28 o 65.82043 4.080554 216.1041       26.16045 218.0361       30.40718 210.6000       51.32275 65.89809 4.745868 63.04115 8.536390 2.856941       9.766945 
1 1 1 -20 5  29 o 17.78672 7.134031 8.917640       18.91283 13.30440       21.23239 -7.933000      41.61360 19.57293 7.650227 21.76901 9.689926 -2.196081      12.34588 
1 1 1 -20 5  30 o 72.85883 3.881462 264.6686       27.58123 321.4000       43.20301 225.6399       35.83391 79.55370 5.583597 66.61229 5.546104 12.94141       7.869932 
1 1 1 -20 5  31 o 65.03927 4.386410 212.4011       27.76154 222.9489       32.70412 185.2000       52.51880 66.36274 5.073138 58.05775 9.575128 8.304985       10.83604 
1 1 1 -20 5  32 o 84.45592 4.459371 358.2733       36.73399 379.5000       50.14984 333.7000       53.95839 86.05573 5.991065 80.04995 6.955363 6.005783       9.179865 
1 1 1 -20 5  33 o 28.35112 7.558842 43.68752       21.35853 54.13000       31.59726 34.90160       28.98284 31.16389 9.499106 26.15528 9.165760 5.008617       13.20016 
1 1 1 -20 5  34 o 23.10331 7.432479 27.90436       19.08129 22.57222       25.87162 34.26451       28.25575 22.63601 8.546462 25.82732 9.050117 -3.191309      12.44776 
1 1 1 -20 5  35 o 20.58503 7.441904 19.96078       19.24697 -1.837982      26.59130 43.94778       27.89406 17.92379 7.872180 28.15005 8.979342 -10.22626      11.94152 
1 1 1 -20 5  36 o 21.48927 7.561096 23.08566       19.73658 53.83866       28.33040 -5.914366      27.51112 30.66645 8.910516 17.50033 7.828218 13.16611       11.86079 
1 1 1 -20 5  37 o 58.14753 4.396272 172.3330       24.83663 181.9301       36.56710 164.1141       33.83982 58.42307 6.504572 55.57895 6.333166 2.844120       9.078461 
1 1 1 -20 5  38 o 18.35583 7.953317 2.981457       26.36306 -27.01000      55.14664 11.86600       30.01496 21.78212 10.22035 20.80361 8.730360 0.9785099      13.44153 
1 1 1 -20 5  39 o 32.83071 8.714057 63.44086       28.46572 21.43000       57.41072 77.13574       32.77867 26.48877 11.60240 35.89396 9.266377 -9.405190      14.84861 
1 1 1 -20 5  40 o 24.96939 8.236738 35.23397       23.35878 51.88134       32.34822 17.09535       33.76600 29.32724 9.693727 22.26013 9.294962 7.067106       13.42999 
1 1 1 -20 5  41 o 16.80105 7.585841 -6.297784      26.51574 -13.38736      32.87676 6.896000       44.85011 17.73942 8.174459 22.72796 10.09154 -4.988535      12.98696 
1 1 1 -20 5  42 o 17.79956 7.841321 0.7250340      26.56805 -18.61687      33.51014 33.46000       43.59459 17.26948 8.058616 25.96466 10.67545 -8.695183      13.37559 
1 1 1 -20 5  43 o 24.31439 8.424468 33.74122       24.44682 79.24667       35.35951 -7.929302      33.83678 35.33798 9.853547 18.46229 8.427230 16.87569       12.96575 
1 1 1 -20 5  44 f 19.11806 8.005151 11.17601       25.14958 5.958265       36.65415 15.81752       34.57096 20.74763 9.172083 21.77825 9.265203 -1.030628      13.03730 
1 1 1 -20 5  45 o 15.84961 7.437701 -18.45018      29.22128 0.9164468      35.22502 -61.19000      52.32877 19.63459 8.814637 18.12030 8.862146 1.514292       12.49942 
1 1 1 -20 5  46 f 27.68805 9.294516 48.54170       29.71612 53.15490       36.52520 39.51000       51.10647 28.42973 10.25527 26.50934 11.27110 1.920389       15.23838 
1 1 1 -20 5  47 o 16.90302 7.490201 0.6686708      24.58561 -37.23376      36.50296 32.13814       33.26130 16.03326 7.738143 24.01513 9.517178 -7.981861      12.26603 
1 1 1 -20 5  48 o 21.82894 8.660505 24.26904       27.57198 14.85000       48.90868 28.65701       33.38216 23.17618 10.39700 23.30414 9.431596 -0.1279602     14.03754 
1 1 1 -20 5  49 o 31.89951 9.058020 65.38232       29.59881 91.79716       38.30549 26.24000       46.62945 36.70149 10.26391 24.16273 10.52234 12.53876       14.69924 
1 1 1 -20 5  50 o 15.37076 7.236587 -18.16090      28.06062 12.56000       52.75769 -30.28008      33.13641 23.25929 10.58044 15.63534 7.501459 7.623949       12.96988 
1 1 1 -20 5  51 o 39.16880 7.189358 89.48539       26.54820 70.61763       38.31711 106.9051       36.81742 31.53194 10.55385 40.56460 9.448979 -9.032654      14.16569 
1 1 1 -20 5  52 o 38.14109 7.437084 86.08726       26.76749 110.7198       39.37914 64.93068       36.49506 40.58318 9.983093 30.41501 10.30038 10.16817       14.34433 
1 1 1 -20 5  53 o 22.26593 8.541256 28.50678       26.09745 36.42978       38.38972 21.69940       35.58445 24.50547 10.04034 21.94099 9.369254 2.564474       13.73285 
1 1 1 -20 5  54 o 16.62675 7.679685 -7.538963      29.26221 -5.222000      52.58260 -8.578420      35.21970 20.98811 9.888936 17.85899 8.309529 3.129120       12.91663 
1 1 1 -20 5  55 o 14.33874 6.919535 -29.07705      29.16832 65.85000       53.65280 -68.90434      34.75264 28.14800 11.73226 13.19880 6.588900 14.94920       13.45584 
1 1 1 -20 6  1  o 202.1574 4.212081 2007.579       83.34752 1897.443       114.9842 2129.517       120.9872 196.0703 5.998339 207.7375 5.956169 -11.66718      8.453167 
1 1 1 -20 6  2  o 116.6533 3.600042 668.4418       41.05733 749.5000       82.04386 641.3602       47.42257 122.9612 6.843661 114.1804 4.250559 8.780807       8.056236 
1 1 1 -20 6  3  o 92.71528 2.919788 421.8795       26.46471 400.9465       38.29387 441.0184       36.61599 90.22816 4.348721 94.68844 3.959378 -4.460281      5.881161 
1 1 1 -20 6  4  o 100.2223 3.007885 492.9794       29.47408 466.7673       42.34930 517.6036       41.04650 97.35291 4.455990 102.5758 4.096371 -5.222893      6.052777 
1 1 1 -20 6  5  o 172.7205 3.788250 1464.552       64.04552 1441.962       90.85291 1486.867       90.29771 171.0201 5.434217 173.6920 5.317438 -2.671890      7.603017 
1 1 1 -20 6  6  o 84.22106 3.304285 348.5120       27.18697 387.2000       46.35674 328.2288       33.56545 88.50681 5.376297 81.62743 4.215254 6.879379       6.831759 
1 1 1 -20 6  7  f 84.19028 3.310989 348.2862       27.23192 352.8000       43.80729 345.4435       34.76514 84.46992 5.325424 83.73649 4.255487 0.7334290      6.816841 
1 1 1 -20 6  8  o 150.3896 3.515794 1110.095       51.75443 1075.196       73.01575 1145.333       73.36916 147.6954 5.058070 152.4700 4.922578 -4.774582      7.058034 
1 1 1 -20 6  9  o 156.2205 3.594974 1198.125       54.97179 1127.881       76.36461 1273.675       79.19641 151.2357 5.166181 160.7527 5.039389 -9.516983      7.216984 
1 1 1 -20 6  10 o 59.21690 3.257732 172.5882       18.81009 183.3451       26.07241 160.9115       27.16413 60.90326 4.403285 56.96056 4.920281 3.942703       6.602884 
1 1 1 -20 6  11 o 68.10126 3.170328 228.0560       21.07522 227.3731       29.09915 228.8093       30.56454 67.85018 4.405318 68.03477 4.617013 -0.1845932     6.381507 
1 1 1 -20 6  12 o 154.9314 3.583357 1178.838       54.34203 1139.419       75.69962 1220.750       78.05707 151.9681 5.096238 157.3090 5.075996 -5.340881      7.192870 
1 1 1 -20 6  13 o 98.22107 3.069870 473.8735       29.47795 484.9024       41.22581 462.3356       42.16632 99.19427 4.255866 96.82097 4.461275 2.373306       6.165660 
1 1 1 -20 6  14 o 56.60271 3.230547 157.7997       17.82429 160.7690       24.59080 154.5129       25.87273 56.97563 4.444518 55.79642 4.783396 1.179211       6.529519 
1 1 1 -20 6  15 o 47.33418 3.607182 110.7416       16.58693 100.9311       22.53639 122.3375       24.50155 44.92252 5.222480 49.53079 5.127810 -4.608273      7.319067 
1 1 1 -20 6  16 o 129.9729 3.781806 831.5607       48.06138 798.8455       58.59843 898.8000       84.00832 127.1843 4.715185 134.4177 6.403395 -7.233391      7.952135 
1 1 1 -20 6  17 o 140.6805 4.008315 975.1976       55.13899 941.7000       97.94397 990.7397       66.71538 137.1606 7.321816 141.5849 4.820997 -4.424301      8.766471 
1 1 1 -20 6  18 o 67.35858 3.122841 223.3989       20.53362 222.6330       28.49068 224.2268       29.62010 67.05119 4.364726 67.26252 4.525241 -0.2113342     6.287181 
1 1 1 -20 6  19 o 38.73776 4.072694 74.77612       15.21196 76.77233       20.16453 72.13958       23.17397 38.99438 5.430089 37.52489 6.547210 1.469490       8.505987 
1 1 1 -20 6  20 o 47.32965 3.652810 110.9826       16.79173 111.5640       22.46050 110.2460       25.28356 47.22040 4.932048 46.78280 5.634676 0.4375992      7.488302 
1 1 1 -20 6  21 o 35.56272 4.492857 63.51966       15.29113 62.73449       20.35936 64.53572       23.16020 34.96212 6.174957 35.28592 6.952940 -0.3237953     9.299111 
1 1 1 -20 6  22 o 58.16787 3.335190 167.1986       18.90974 173.8218       25.97613 159.7319       27.58078 59.07821 4.526487 56.49971 5.040028 2.578495       6.774287 
1 1 1 -20 6  23 o 67.71698 3.990541 227.4622       26.33334 278.9000       52.79937 210.4308       30.38172 73.88116 7.400631 64.92348 4.815117 8.957680       8.829196 
1 1 1 -20 6  24 f 85.51895 3.054423 360.6760       25.52699 322.3660       34.44366 407.3603       38.02230 80.51366 4.387099 90.56075 4.301653 -10.04709      6.144173 
1 1 1 -20 6  25 o 112.0388 3.178629 619.5317       34.82373 580.7202       47.57907 664.3109       51.10629 108.0109 4.510230 115.5278 4.528180 -7.516823      6.391133 
1 1 1 -20 6  26 o 70.36765 3.257962 245.0038       22.37922 249.6783       30.32018 239.4095       33.16938 70.72284 4.401737 69.07278 4.938547 1.650055       6.615477 
1 1 1 -20 6  27 o 75.84502 3.846123 285.9550       28.46010 293.5453       33.36928 265.7000       54.51066 76.64255 4.467427 71.33546 7.941206 5.307091       9.111567 
1 1 1 -20 6  28 o 66.13434 3.992198 218.0684       25.72280 199.2816       29.36073 280.1000       53.35160 62.95062 4.801195 73.36469 7.536458 -10.41407      8.935864 
1 1 1 -20 6  29 o 57.40639 3.802146 164.3577       21.24424 181.2057       28.79940 144.2465       31.46505 59.90972 4.955396 52.94416 6.188199 6.965561       7.927783 
1 1 1 -20 6  30 o 53.85886 4.016737 145.2188       21.02317 147.5084       28.52382 142.4958       31.10626 53.76984 5.496803 52.56913 6.162023 1.200710       8.257443 
1 1 1 -20 6  31 o 38.36698 5.841535 76.32804       21.24623 48.18000       29.92585 104.9354       30.16903 29.76207 9.275331 44.55679 7.159872 -14.79472      11.71732 
1 1 1 -20 6  32 o 56.73816 5.468405 164.6404       29.99403 187.3000       37.53355 124.6000       49.89328 60.04147 6.489488 46.27696 11.14773 13.76451       12.89904 
1 1 1 -20 6  33 f 27.30236 7.295675 40.37749       19.86929 55.13379       26.68174 22.00748       29.77009 31.55164 8.464731 23.31649 9.074347 8.235147       12.40949 
1 1 1 -20 6  34 o 23.19495 7.468600 28.23294       19.26430 40.47998       25.89771 13.06148       28.82435 27.25121 8.647397 21.22635 8.698787 6.024866       12.26566 
1 1 1 -20 6  35 o 32.26685 6.466990 55.90053       19.71310 42.51932       26.58620 72.24152       29.37973 27.68827 8.758573 35.81510 8.507501 -8.126835      12.21025 
1 1 1 -20 6  36 o 20.31735 7.455443 19.32183       19.41954 25.66403       26.78187 12.29034       28.19972 23.20872 8.709975 20.67845 8.552340 2.530268       12.20681 
1 1 1 -20 6  37 o 56.80118 4.439693 164.7970       24.48809 157.1056       34.53450 172.5752       34.72908 54.08106 6.664637 56.94148 6.338314 -2.860420      9.197370 
1 1 1 -20 6  38 o 74.67727 3.944458 282.2746       28.73023 293.7851       41.83015 271.9958       39.52881 74.81943 5.755958 72.06757 5.648715 2.751854       8.064678 
1 1 1 -20 6  39 o 37.41883 8.105582 80.37819       28.82776 138.6000       61.09816 63.70500       32.69599 44.32186 13.14231 32.37117 9.617852 11.95069       16.28568 
1 1 1 -20 6  40 o 24.24270 9.044344 31.11280       28.79011 20.41000       59.35287 34.40589       32.92266 26.36727 11.66325 25.34689 9.624786 1.020384       15.12177 
1 1 1 -20 6  41 o 44.85208 5.947980 107.9575       25.47001 76.20562       37.29518 135.7099       34.86733 34.65655 10.26583 49.19343 7.476109 -14.53688      12.69959 
1 1 1 -20 6  42 o 36.27055 8.088634 76.94473       27.98495 71.93188       36.20997 84.38000       44.09950 33.51249 10.15948 35.32131 11.29283 -1.808823      15.19023 
1 1 1 -20 6  43 o 32.12844 8.751672 62.81647       28.26256 72.16366       36.64293 49.09000       44.40474 33.32214 10.24333 28.26131 11.05837 5.060833       15.07360 
1 1 1 -20 6  44 o 35.94954 9.088385 79.91317       31.99281 112.5191       38.56274 7.917000       57.30258 42.49268 9.509294 24.13729 10.99804 18.35538       14.53903 
1 1 1 -20 6  45 o 16.21487 7.552166 -14.84913      29.20811 1.685616       35.65018 -48.61000      50.94128 19.77153 8.872567 18.54346 8.995440 1.228075       12.63489 
1 1 1 -20 6  46 o 22.93378 8.378620 29.94116       24.48522 44.73956       36.96225 18.36917       32.68548 26.64626 10.17898 21.53112 9.077427 5.115139       13.63860 
1 1 1 -20 6  47 o 34.50727 8.415464 73.06416       28.16571 142.8000       49.83425 40.33208       34.14182 45.17889 11.29912 25.68217 9.789666 19.49673       14.95017 
1 1 1 -20 6  48 o 34.81277 8.636188 75.60303       29.28597 79.93075       38.83950 69.90000       44.58579 33.83153 10.57034 30.96133 11.30706 2.870199       15.47843 
1 1 1 -20 6  49 o 16.93659 7.702293 -4.825640      27.93597 -2.331000      53.99651 -5.737432      32.64448 22.09421 10.28306 17.99041 8.236624 4.103804       13.17510 
1 1 1 -20 6  50 o 29.54922 8.295470 54.27808       24.97095 64.72643       37.09156 45.61716       33.77017 30.50310 10.38355 26.54460 9.815714 3.958500       14.28868 
1 1 1 -20 6  51 o 16.03796 7.258798 -3.845362      24.45207 48.97591       35.92637 -49.43142      33.37528 27.04725 10.10076 14.19623 6.970644 12.85102       12.27254 
1 1 1 -20 6  52 f 19.62578 8.094406 16.14035       25.16594 35.41406       37.54676 0.4191189      33.91042 24.51218 9.972429 18.89342 8.549976 5.618759       13.13588 
1 1 1 -20 6  53 o 15.87192 7.245092 -5.391804      25.01245 38.90248       37.29107 -41.61594      33.72329 24.83328 9.997620 14.73452 7.186270 10.09876       12.31239 
1 1 1 -20 6  54 o 34.05824 8.067075 72.94984       26.47666 63.93195       39.01146 80.65092       36.05085 29.14153 10.58653 33.43089 10.13763 -4.289360      14.65763 
1 1 1 -20 6  55 o 21.54054 9.431023 20.63159       37.89725 11.06000       53.47421 30.29000       53.71621 22.09286 10.26571 23.87429 10.78661 -1.781431      14.89079 
1 1 1 -20 7  1  o 117.5560 3.605456 678.8914       41.43790 786.1000       84.39603 644.8363       47.56617 125.9072 6.874097 114.4818 4.252172 11.42542       8.082956 
1 1 1 -20 7  2  o 137.3406 3.853184 926.8715       51.74823 1050.000       101.4531 883.5715       60.16308 145.4933 7.145731 133.9774 4.594468 11.51581       8.495329 
1 1 1 -20 7  3  o 89.05961 2.930551 389.3356       25.51200 363.6466       37.16449 412.2291       35.08414 85.90037 4.435064 91.53828 3.924750 -5.637909      5.922285 
1 1 1 -20 7  4  o 115.0758 3.100378 649.9578       34.89063 601.9930       49.63987 696.7914       49.05101 110.5526 4.597313 119.0108 4.217378 -8.458153      6.238715 
1 1 1 -20 7  5  o 80.95565 3.017205 321.8584       23.86699 313.4098       35.23472 329.0216       32.44378 79.71088 4.534634 81.73924 4.067817 -2.028358      6.091801 
1 1 1 -20 7  6  o 49.50129 3.525105 120.8747       16.96850 104.2909       24.30341 136.6480       23.70206 45.67089 5.550339 52.50463 4.660287 -6.833740      7.247382 
1 1 1 -20 7  7  o 172.2619 3.809907 1457.318       64.24066 1405.529       90.63816 1509.594       91.06337 168.7725 5.493920 174.9583 5.323639 -6.185791      7.650117 
1 1 1 -20 7  8  o 97.92455 3.344159 471.1381       32.00714 439.0000       51.49078 491.3761       40.86049 94.18430 5.610706 99.89941 4.187924 -5.715103      7.001338 
1 1 1 -20 7  9  o 138.6626 3.367465 943.6904       45.70554 900.0038       63.81527 989.7031       65.49213 135.1273 4.832538 141.7304 4.727464 -6.603088      6.760351 
1 1 1 -20 7  10 o 121.6006 3.602898 726.7535       42.83657 790.0000       73.80116 694.6198       52.60484 126.3256 5.985528 118.7318 4.534729 7.593788       7.509348 
1 1 1 -20 7  11 o 86.04404 3.063938 363.7180       25.76399 357.1098       36.02151 370.6391       36.86470 85.09538 4.338960 86.69348 4.358261 -1.598106      6.149879 
1 1 1 -20 7  12 f 89.08908 2.999925 389.8685       26.12289 387.4430       37.44730 392.1677       36.45919 88.63571 4.329336 89.19749 4.187572 -0.5617828     6.023198 
1 1 1 -20 7  13 o 80.15887 2.979746 315.7366       23.33890 300.0015       32.87568 331.7240       33.13828 77.95756 4.325299 82.01567 4.141280 -4.058113      5.988189 
1 1 1 -20 7  14 o 66.13428 3.081151 215.1627       19.89072 214.3134       27.98487 216.0298       28.27685 65.83298 4.367531 66.09281 4.395882 -0.2598267     6.196701 
1 1 1 -20 7  15 o 73.44518 3.910390 266.1159       28.01053 257.0000       37.10069 278.2000       42.71591 71.93032 5.306798 74.73069 5.887129 -2.800369      7.925931 
1 1 1 -20 7  16 o 106.9268 3.680008 563.0035       38.45861 517.3000       70.27133 582.5463       45.95119 101.6355 7.108425 108.6424 4.329741 -7.006920      8.323242 
1 1 1 -20 7  17 o 45.73133 3.784478 103.6215       16.78895 106.7605       22.80034 99.90366       24.81354 46.19238 5.129083 44.52003 5.834392 1.672348       7.768373 
1 1 1 -20 7  18 o 12.42904 5.440002 -2.745635      12.60019 3.766856       15.97251 -13.47618      20.50268 15.62526 6.446929 14.29710 6.538857 1.328152       9.182568 
1 1 1 -20 7  19 f 78.19161 3.362282 301.3582       25.67346 335.5000       41.02047 279.3723       32.91774 82.13637 5.127797 75.06628 4.500677 7.070084       6.822785 
1 1 1 -20 7  20 o 88.03895 3.057836 381.6105       26.31088 373.9694       36.84882 389.5580       37.58038 86.88800 4.346491 88.68574 4.342336 -1.797737      6.143929 
1 1 1 -20 7  21 o 58.71509 3.295517 170.2732       18.86397 174.2158       25.66786 165.6427       27.81690 59.17123 4.464663 57.57103 4.985350 1.600204       6.692304 
1 1 1 -20 7  22 o 22.26678 6.152560 25.59070       13.85482 11.89486       17.56954 48.11221       22.53019 18.30783 7.011864 30.24732 7.615767 -11.93949      10.35211 
1 1 1 -20 7  23 o 39.64179 4.213265 78.65900       16.09840 69.37769       20.97950 91.94951       25.10506 36.76211 6.039835 42.38466 6.237629 -5.622551      8.682606 
1 1 1 -20 7  24 o 76.72874 3.135473 290.6451       23.49911 267.4727       31.80627 318.4968       34.87019 73.27532 4.455601 79.97704 4.472147 -6.701714      6.312882 
1 1 1 -20 7  25 o 75.35629 3.994808 282.1913       29.36076 295.3000       58.04353 277.6838       34.03645 75.43941 7.981378 74.53791 4.688855 0.9014969      9.256768 
1 1 1 -20 7  26 o 118.2937 4.985098 700.7969       57.59262 639.4000       80.95921 763.7000       81.94630 111.4197 7.466415 122.2621 6.875188 -10.84238      10.14966 
1 1 1 -20 7  27 f 32.54884 6.093115 55.18819       18.69918 47.49850       20.75486 88.34000       43.09424 29.88407 7.184304 39.69452 10.80430 -9.810452      12.97487 
1 1 1 -20 7  28 o 67.74868 3.409250 227.7513       22.53553 187.0863       29.66735 283.2216       34.64968 60.88707 5.022543 75.10975 4.737122 -14.22268      6.904076 
1 1 1 -20 7  29 o 81.17663 3.349535 326.8546       26.55753 305.1767       36.28747 351.8588       38.97212 77.89581 4.782278 83.66235 4.778901 -5.766541      6.760775 
1 1 1 -20 7  30 o 18.29559 7.053770 12.34397       17.86191 10.63000       24.29545 14.36018       26.35064 19.76273 8.028671 21.10262 8.435439 -1.339893      11.64544 
1 1 1 -20 7  31 o 30.58509 6.885191 50.02057       20.11413 48.38000       28.59906 51.62642       28.29473 29.76136 9.030234 30.65408 8.904315 -0.8927231     12.68195 
1 1 1 -20 7  32 o 13.71508 6.204422 -8.184099      17.83844 -26.47815      23.80173 15.25954       26.94425 13.74466 6.528324 21.32943 8.528637 -7.584776      10.74042 
1 1 1 -20 7  33 o 36.81828 6.830863 72.30463       23.71141 84.92174       27.99658 40.29000       44.59634 39.67739 7.483013 28.99622 11.15448 10.68117       13.43197 
1 1 1 -20 7  34 o 63.27530 3.956135 201.2037       24.37996 194.4907       33.73997 208.5383       35.26770 61.36810 5.681376 63.53125 5.732928 -2.163151      8.071215 
1 1 1 -20 7  35 o 24.70979 7.453907 33.23588       19.52589 10.14699       26.51772 60.58003       28.85805 19.93393 8.273289 32.57904 8.830458 -12.64511      12.10059 
1 1 1 -20 7  36 f 49.11729 4.722522 123.7753       22.42516 142.8734       31.27617 103.5692       32.17066 51.92822 6.280708 43.16712 7.905008 8.761097       10.09636 
1 1 1 -20 7  37 o 31.95553 6.896622 56.36089       20.93848 56.02197       28.82744 56.73936       30.46319 30.90190 8.991068 30.97682 9.302778 -0.7492256E-01 12.93758 
1 1 1 -20 7  38 o 34.72414 6.701367 66.15697       21.95214 85.49746       30.70076 45.92400       31.40113 38.52153 8.381014 28.07439 9.553955 10.44714       12.70903 
1 1 1 -20 7  39 o 18.00089 7.435929 9.245232       21.28291 13.33531       29.65591 4.901491       30.56168 20.82268 8.704005 19.63341 8.534648 1.189268       12.19016 
1 1 1 -20 7  40 o 21.42692 8.598523 19.15892       27.48969 5.530000       57.95702 23.11506       31.22561 24.63217 11.15926 22.83126 9.163468 1.800905       14.43947 
1 1 1 -20 7  41 o 38.33438 8.004245 84.93342       29.06307 81.56000       60.52501 85.94434       33.13282 33.85871 13.00252 37.74672 9.078971 -3.888012      15.85854 
1 1 1 -20 7  42 o 15.66552 7.035357 -4.579217      22.46228 8.123720       32.44099 -16.27796      31.13233 20.30905 8.811008 16.80887 7.818068 3.500181       11.77948 
1 1 1 -20 7  43 o 17.21976 8.061288 -19.04213      33.97875 -19.04213      33.97875 0.000000       0.000000 17.21976 8.061288 ?        ?        ?              ?        
1 1 1 -20 7  44 o 56.28547 7.660576 181.9727       41.11067 181.9727       41.11067 0.000000       0.000000 56.28547 7.660576 ?        ?        ?              ?        
1 1 1 -20 7  45 o 15.34469 7.031574 -8.644622      23.86203 -23.48994      36.05189 2.929218       31.83260 17.12589 8.105005 19.08410 8.486084 -1.958208      11.73477 
1 1 1 -20 7  46 o 33.14740 8.474635 67.83868       27.59953 84.52000       49.38482 60.26219       33.28222 33.39122 11.93942 30.16335 9.825213 3.227873       15.46236 
1 1 1 -20 7  47 o 26.78392 9.007015 44.94852       27.90536 35.61973       36.71450 57.71000       42.94133 24.90252 9.956159 28.98555 10.99545 -4.083025      14.83324 
1 1 1 -20 7  48 o 22.70275 8.851937 28.19494       28.37056 20.26000       54.27685 31.17789       33.27862 24.25389 10.91063 23.71235 9.479344 0.5415344      14.45337 
1 1 1 -20 7  49 f 30.28595 8.158813 56.53467       24.72573 62.25227       36.92916 51.88885       33.28846 29.99781 10.35610 27.96970 9.821378 2.028103       14.27264 
1 1 1 -20 7  50 o 29.93780 8.265493 55.64886       25.01623 53.39518       36.79405 57.58622       34.11430 28.06906 10.26836 29.17832 9.957596 -1.109268      14.30360 
1 1 1 -20 7  51 o 18.78779 7.897819 12.37021       24.62842 30.14533       36.02273 -3.231011      33.74812 23.52305 9.691252 18.42052 8.411225 5.102524       12.83235 
1 1 1 -20 7  52 o 21.22927 8.308682 23.88160       25.07223 66.17262       37.80013 -9.339772      33.50256 30.44285 10.47887 17.64280 8.172941 12.80004       13.28923 
1 1 1 -20 7  53 o 26.75033 8.635144 46.37013       25.74154 55.63403       38.00402 38.51715       34.99049 27.86571 10.39223 24.63117 9.761395 3.234541       14.25775 
1 1 1 -20 7  54 o 35.02457 9.220903 82.91924       32.03966 85.22741       39.30777 78.35000       55.30525 33.56890 10.65371 29.83365 12.11581 3.735249       16.13364 
1 1 1 -20 8  1  o 200.5725 5.896324 1986.490       115.6345 0.000000       0.000000 1986.490       115.6345 ?        ?        200.5725 5.896324 ?              ?        
1 1 1 -20 8  2  o 133.4287 3.808274 874.9693       49.68659 1052.000       101.5169 819.2018       56.97767 145.5776 7.146062 128.9917 4.519685 16.58586       8.455398 
1 1 1 -20 8  3  o 111.4945 3.090708 610.2233       33.69756 549.3162       47.91982 669.8051       47.39560 105.5746 4.648530 116.6767 4.156638 -11.10211      6.235902 
1 1 1 -20 8  4  o 197.1055 4.818421 1911.905       92.96289 2002.000       170.6999 1873.917       110.8421 200.2653 8.729025 194.8076 5.819418 5.457642       10.49102 
1 1 1 -20 8  5  o 92.50324 3.041595 420.1710       27.50260 346.0187       39.11960 492.6411       38.67333 83.71657 4.793981 100.0627 3.956306 -16.34615      6.215675 
1 1 1 -20 8  6  o 93.99578 3.052228 433.8520       28.04499 376.7920       39.85679 489.8078       39.46927 87.38514 4.676742 99.75784 4.050513 -12.37270      6.186967 
1 1 1 -20 8  7  o 89.12704 2.990761 390.0790       26.05444 358.0243       37.07694 421.3491       36.62039 85.20274 4.461284 92.50808 4.054086 -7.305344      6.028157 
1 1 1 -20 8  8  o 80.35226 2.996902 317.1560       23.52963 342.9382       34.53698 294.8234       32.14362 83.40923 4.244183 77.31821 4.263748 6.091019       6.016031 
1 1 1 -20 8  9  o 56.27039 3.327346 155.9590       18.24488 132.2790       25.11522 182.4193       26.54874 51.57460 5.039240 60.72514 4.498463 -9.150539      6.755006 
1 1 1 -20 8  10 o 71.07462 3.147128 248.3873       21.84022 252.6682       30.79690 244.0561       30.97736 71.52553 4.420455 70.27557 4.527419 1.249954       6.327555 
1 1 1 -20 8  11 o 89.36285 2.999028 392.2780       26.19559 385.9736       37.94384 398.0192       36.20931 88.45342 4.396263 89.86810 4.127333 -1.414680      6.030092 
1 1 1 -20 8  12 o 73.66715 3.019201 266.7708       21.72455 233.0390       30.64794 300.8358       30.79893 68.63653 4.588187 78.10672 4.042231 -9.470192      6.114825 
1 1 1 -20 8  13 o 171.6396 5.281255 1455.963       88.62244 1565.000       129.8920 1361.000       121.2191 177.0869 7.510645 165.1175 7.519921 11.96942       10.62822 
1 1 1 -20 8  14 o 111.5642 3.690027 612.6390       40.24044 525.3000       71.16000 653.6984       48.79086 102.4797 7.138642 115.1227 4.337593 -12.64298      8.353138 
1 1 1 -20 8  15 o 83.89590 3.033106 346.0798       24.86676 336.7602       35.49699 355.0606       34.84587 82.54317 4.409435 84.79834 4.211326 -2.255165      6.097408 
1 1 1 -20 8  16 o 94.65894 3.680780 441.5040       34.03918 366.8000       61.63065 474.2948       40.83203 85.34850 7.451910 98.00475 4.266674 -12.65626      8.586936 
1 1 1 -20 8  17 o 43.78200 3.777097 95.06420       16.02865 101.4344       21.50426 87.10069       24.04357 45.02953 4.960999 41.44041 6.110620 3.589123       7.870908 
1 1 1 -20 8  18 o 16.12670 6.048666 9.725820       12.91198 -0.3688366     16.32542 26.58928       21.10046 14.79222 6.332068 23.53331 7.830812 -8.741087      10.07059 
1 1 1 -20 8  19 o 34.30136 4.613483 59.20288       15.09743 72.25195       20.16797 42.56944       22.77004 37.73209 5.632906 28.60021 7.881599 9.131880       9.687581 
1 1 1 -20 8  20 o 101.8477 3.105412 510.8070       30.92210 510.4265       44.03719 511.1771       43.43005 101.4840 4.443957 101.5773 4.378328 -0.9329224E-01 6.238470 
1 1 1 -20 8  21 o 42.44073 3.962038 89.72321       16.26897 84.83076       21.32524 96.53555       25.16393 40.93265 5.458461 43.55088 6.067553 -2.618225      8.161494 
1 1 1 -20 8  22 o 60.03837 3.347972 178.2320       19.59718 161.8517       26.02959 199.6666       29.77584 56.91291 4.714780 63.21658 4.849031 -6.303673      6.763302 
1 1 1 -20 8  23 o 77.58987 3.955661 298.5822       29.94296 400.3000       62.32636 268.0606       34.14104 88.57230 7.252437 73.27889 4.786022 15.29341       8.689295 
1 1 1 -20 8  24 o 89.01644 3.171275 391.2641       27.58772 394.7314       38.27879 387.5167       39.79526 89.04710 4.405372 88.15064 4.628325 0.8964615      6.389733 
1 1 1 -20 8  25 o 42.82934 4.600681 92.36017       18.98521 68.73528       21.06867 194.4000       43.78619 36.45728 6.120696 61.22232 7.460580 -24.76503      9.650036 
1 1 1 -20 8  26 o 83.10830 5.201407 347.4726       42.10062 351.7000       63.19942 344.1000       56.44927 82.15443 7.958726 81.74435 7.126117 0.4100876      10.68283 
1 1 1 -20 8  27 o 43.42532 4.300999 94.78612       18.04187 90.64490       23.58244 100.6312       28.01687 41.97595 5.902417 43.96863 6.723094 -1.992680      8.946424 
1 1 1 -20 8  28 o 64.13789 4.503913 206.4479       28.09579 197.5000       56.70625 209.3591       32.34496 59.95451 10.01587 64.33641 5.179969 -4.381897      11.27607 
1 1 1 -20 8  29 o 56.52384 4.070405 159.9445       22.36956 164.2000       32.29238 156.0186       31.01683 56.58735 5.917458 55.18256 5.830401 1.404793       8.307219 
1 1 1 -20 8  30 o 25.57216 6.957877 34.89941       17.87603 21.31000       23.90993 52.12265       26.91754 22.11818 8.244102 30.84940 8.595443 -8.731215      11.90995 
1 1 1 -20 8  31 o 52.54619 4.161698 138.7645       21.23045 150.3629       28.95059 125.2701       31.22729 54.18352 5.536365 48.90596 6.699168 5.277561       8.690810 
1 1 1 -20 8  32 o 27.79203 7.020488 41.68552       19.10115 61.82869       25.69458 16.80274       28.55795 33.59402 7.940350 22.00019 8.785860 11.59383       11.84232 
1 1 1 -20 8  33 o 55.58361 4.215691 155.7343       22.76518 173.3918       31.53774 136.5245       32.89477 58.03259 5.622391 50.86960 6.774630 7.162991       8.803800 
1 1 1 -20 8  34 o 35.03247 6.344242 65.37789       20.95413 67.41500       28.37221 62.93342       31.07977 34.64175 8.445028 33.15802 9.235165 1.483730       12.51426 
1 1 1 -20 8  35 o 16.71284 6.980494 5.423599       19.05148 -1.908383      25.46219 14.74924       28.71603 17.45746 7.684037 21.29358 8.699253 -3.836119      11.60696 
1 1 1 -20 8  36 o 34.50109 6.305344 64.12239       20.50912 106.3529       28.62242 19.56053       29.40185 44.34890 6.810931 22.22735 8.901841 22.12155       11.20855 
1 1 1 -20 8  37 o 22.71145 7.671076 27.64915       20.24089 15.41454       27.45789 42.20996       29.95469 20.89025 8.517111 27.20053 9.329479 -6.310274      12.63251 
1 1 1 -20 8  38 o 51.15715 4.843084 135.4851       23.96251 178.1730       34.49190 95.66074       33.31496 57.76977 6.196442 40.55088 8.656824 17.21889       10.64596 
1 1 1 -20 8  39 o 47.03662 5.163284 115.8348       23.38180 151.9002       33.48706 81.52435       32.66210 52.89715 6.611507 36.90830 9.099512 15.98885       11.24781 
1 1 1 -20 8  40 o 32.37714 7.299936 59.41627       22.58045 47.47055       32.39306 70.70745       31.49310 28.14719 9.700012 34.13148 9.213565 -5.984291      13.37834 
1 1 1 -20 8  41 o 15.44114 7.208918 -17.38943      26.86852 30.15000       55.94765 -31.64041      30.63213 26.75744 11.58993 15.17087 7.260962 11.58657       13.67655 
1 1 1 -20 8  42 o 21.46292 9.331367 10.59420       36.54561 73.91000       57.74528 -31.71000      47.20111 32.34639 12.62400 19.27455 9.165876 13.07185       15.60060 
1 1 1 -20 8  43 o 40.30729 7.664456 93.76585       29.13441 91.13588       35.64377 99.06000       50.57156 38.08752 9.573075 36.99998 12.11505 1.087547       15.44079 
1 1 1 -20 8  44 f 31.62798 8.631944 61.48276       27.46371 59.93864       35.57655 63.76000       43.20438 30.20372 10.17002 30.51353 11.13253 -0.3098030     15.07855 
1 1 1 -20 8  45 o 15.19215 7.217762 -24.00203      29.13276 -29.59000      41.75172 -18.70000      40.66948 17.92198 8.550073 18.61076 8.746377 -0.6887779     12.23122 
1 1 1 -20 8  46 o 16.98956 7.615046 -1.508527      26.17504 -9.359914      33.97257 9.961000       41.06086 17.96372 8.289203 21.58914 9.616642 -3.625414      12.69609 
1 1 1 -20 8  47 o 21.24182 8.677917 20.48668       28.57456 -39.84000      57.20391 40.54425       32.98453 20.04023 9.675706 25.66056 9.658437 -5.620325      13.67131 
1 1 1 -20 8  48 o 39.22041 6.915363 88.20341       25.57826 71.05455       37.27356 103.4667       35.16473 32.01949 10.39535 40.45008 9.102060 -8.430592      13.81705 
1 1 1 -20 8  49 o 40.31553 6.771467 92.77239       25.77515 78.67632       37.94440 104.8495       35.12211 33.57643 10.44121 40.71166 9.048292 -7.135231      13.81631 
1 1 1 -20 8  50 o 18.43523 7.787512 10.76017       24.13296 -7.371660      35.41654 26.47602       32.97268 18.38236 8.475622 22.71780 9.306138 -4.335436      12.58731 
1 1 1 -20 8  51 o 18.65934 7.869178 11.82465       24.57585 -32.87325      35.76186 51.82282       33.82958 16.00731 7.708930 27.68488 9.883713 -11.67757      12.53457 
1 1 1 -20 8  52 o 20.52561 8.205633 21.07518       24.93707 -16.65101      36.84413 52.96653       33.87531 17.59168 8.285290 27.78389 9.893498 -10.19220      12.90455 
1 1 1 -20 8  53 o 18.22014 7.875947 9.115964       25.73080 43.00610       37.99793 -19.58535      34.96827 25.40092 10.13763 16.77223 7.950770 8.628689       12.88357 
1 1 1 -20 8  54 o 18.59370 8.277569 6.758577       30.37675 25.15521       37.33865 -29.25000      52.23870 22.17238 9.535138 19.03265 9.203149 3.139729       13.25205 
1 1 1 -20 9  1  o 146.4545 3.445771 1052.831       49.39639 978.8911       69.66496 1127.593       70.05072 140.8901 5.059801 151.2950 4.736060 -10.40485      6.930501 
1 1 1 -20 9  2  f 163.6864 5.090464 1320.993       81.46066 0.000000       0.000000 1320.993       81.46066 ?        ?        163.6864 5.090464 ?              ?        
1 1 1 -20 9  3  o 107.1905 3.066636 564.1058       32.14237 508.1469       46.22269 616.5008       44.72657 101.5149 4.664246 111.9277 4.089334 -10.41280      6.203051 
1 1 1 -20 9  4  o 62.35436 3.186258 191.2679       19.38259 155.8778       29.25365 218.9617       25.87795 55.97542 5.406409 66.63674 3.985648 -10.66132      6.716744 
1 1 1 -20 9  5  o 18.97955 6.790655 15.20289       15.97798 -11.21514      20.86627 52.65000       24.84298 14.86345 6.718444 31.92339 7.974274 -17.05993      10.42720 
1 1 1 -20 9  6  o 244.2529 4.915992 2938.200       117.5322 2838.936       163.7641 3043.640       168.7809 239.2250 7.001213 247.7223 6.967603 -8.497314      9.877473 
1 1 1 -20 9  7  o 72.68082 3.040725 259.6202       21.58454 253.1863       31.52172 265.3002       29.61749 71.59016 4.521416 73.34300 4.142402 -1.752838      6.132103 
1 1 1 -20 9  8  o 76.83109 3.072549 290.1081       23.06031 267.2480       33.07813 311.7242       32.16544 73.53875 4.618675 79.51446 4.147064 -5.975708      6.207278 
1 1 1 -20 9  9  o 105.6026 3.099009 547.7408       31.99880 512.8877       45.30064 582.4481       45.20577 101.9720 4.550010 108.7310 4.255726 -6.759010      6.230072 
1 1 1 -20 9  10 o 21.71341 6.185325 23.91128       13.77979 20.62829       20.23842 26.74855       18.81452 21.70138 7.654844 23.33803 7.366183 -1.636656      10.62343 
1 1 1 -20 9  11 o 96.82986 3.014816 460.6021       28.53954 419.4521       40.73363 500.2800       39.99841 92.17720 4.528505 100.7674 4.063574 -8.590179      6.084406 
1 1 1 -20 9  12 o 25.80546 6.291496 34.31070       15.74590 27.15651       19.30257 48.54000       27.22240 23.52269 7.465715 30.70058 8.676367 -7.177889      11.44623 
1 1 1 -20 9  13 o 42.45007 4.856940 90.04087       19.81833 32.93000       41.91338 106.4865       22.49149 28.96642 10.89077 46.17297 5.059243 -17.20654      12.00853 
1 1 1 -20 9  14 o 43.98917 3.727283 95.85950       15.89794 115.6274       22.14585 74.84000       22.83619 48.17746 4.758215 38.34568 6.302968 9.831783       7.897343 
1 1 1 -20 9  15 o 28.25990 5.260019 40.74395       14.01474 41.29704       18.83339 40.05763       20.97951 28.23620 6.878644 27.83455 7.522678 0.4016533      10.19345 
1 1 1 -20 9  16 o 33.33903 4.760375 55.98827       15.09402 54.79393       20.61536 57.36836       22.16064 32.58513 6.687762 33.29527 7.021183 -0.7101364     9.696554 
1 1 1 -20 9  17 o 68.03236 3.175325 228.0491       21.08677 225.5253       29.51149 230.6818       30.14088 67.42708 4.497181 68.18784 4.541773 -0.7607651     6.391583 
1 1 1 -20 9  18 o 93.70485 3.723668 433.3355       34.08581 324.5000       62.20265 480.0419       40.74854 79.78922 8.075562 98.51514 4.235637 -18.72591      9.118955 
1 1 1 -20 9  19 o 34.59746 4.579741 60.23538       15.12872 69.60368       20.07587 47.92387       23.01440 36.97517 5.732448 30.24035 7.742611 6.734819       9.633741 
1 1 1 -20 9  20 o 53.15693 3.588640 139.9463       18.56279 141.4782       25.16755 138.1186       27.48934 53.18263 4.889325 52.40858 5.437582 0.7740479      7.312510 
1 1 1 -20 9  21 o 79.70802 3.128579 313.3394       24.36189 318.2220       34.06518 308.2281       34.85421 80.04021 4.364583 78.72141 4.542600 1.318802       6.299587 
1 1 1 -20 9  22 o 65.25828 3.292505 210.4822       20.96345 202.4011       28.36473 220.2095       31.12005 63.69817 4.579881 66.38834 4.821840 -2.690166      6.650222 
1 1 1 -20 9  23 o 53.17459 4.880228 141.9342       25.11796 246.6000       54.22096 113.3353       28.34259 68.87922 8.203156 47.05266 6.313028 21.82656       10.35114 
1 1 1 -20 9  24 o 106.4377 4.994716 566.8310       51.89188 520.4000       76.50168 606.4000       70.62277 100.3803 7.848388 109.1977 6.638683 -8.817398      10.27956 
1 1 1 -20 9  25 o 29.22794 6.154941 44.70172       17.05138 29.70455       18.74333 116.7000       41.06797 23.96298 7.318482 46.38644 9.367937 -22.42346      11.88774 
1 1 1 -20 9  26 o 54.79066 3.570905 149.2726       19.04664 135.3227       24.91687 168.8818       29.54187 51.76739 4.978669 57.77515 5.282228 -6.007755      7.258725 
1 1 1 -20 9  27 f 71.57881 3.351475 254.0774       23.41635 272.9010       32.57737 233.9560       33.68168 73.79558 4.531888 68.09628 5.089997 5.699295       6.815135 
1 1 1 -20 9  28 o 68.50723 3.694824 233.6642       24.68462 216.1000       35.57553 249.9716       34.27919 65.14281 5.634631 70.37299 5.009184 -5.230171      7.539297 
1 1 1 -20 9  29 o 40.25765 5.003760 82.67941       19.29316 54.88000       26.26287 115.2692       28.43577 31.68995 8.350894 47.12234 6.324528 -15.43239      10.47555 
1 1 1 -20 9  30 o 19.90736 7.016435 18.59310       17.00088 38.63561       21.99022 -11.18422      26.80380 26.81267 7.867263 16.79824 7.601676 10.01443       10.93980 
1 1 1 -20 9  31 o 29.45629 6.598041 46.37229       18.55049 9.922208       24.21896 98.11036       28.85435 19.50375 7.981038 42.96405 7.109635 -23.46030      10.68849 
1 1 1 -20 9  32 o 104.7295 4.486574 552.1083       45.88624 564.4000       62.36503 537.6000       67.75548 104.6626 6.114192 101.4864 6.861053 3.176186       9.190070 
1 1 1 -20 9  33 o 27.60683 6.959172 41.39324       18.79685 64.91502       25.10548 11.38657       28.35583 34.40003 7.653399 20.76110 8.580249 13.63892       11.49762 
1 1 1 -20 9  34 o 14.71384 6.477268 -2.692895      18.09813 -25.86681      23.73217 29.51457       27.97795 13.67525 6.502067 24.40399 8.949778 -10.72874      11.06234 
1 1 1 -20 9  35 o 27.57971 9.319731 42.56676       29.87616 0.000000       0.000000 42.56676       29.87616 ?        ?        27.57971 9.319731 ?              ?        
1 1 1 -20 9  36 o 43.87254 5.937247 102.1344       24.84292 146.4079       30.17706 9.031000       43.76101 52.61777 5.964270 23.22520 10.15231 29.39256       11.77463 
1 1 1 -20 9  37 o 33.45777 6.552935 61.20602       20.69232 90.08295       28.60681 29.51709       29.96730 40.14154 7.557873 24.21402 9.185417 15.92752       11.89510 
1 1 1 -20 9  38 o 25.92393 7.722068 38.20383       21.05556 53.00822       29.44582 22.71405       30.11973 29.80309 9.186186 22.69953 9.036873 7.103563       12.88608 
1 1 1 -20 9  39 o 32.77398 7.037672 60.19983       21.90242 62.23880       30.96259 58.15767       30.98683 32.00650 9.319710 30.92906 9.402761 1.077444       13.23892 
1 1 1 -20 9  40 o 17.72464 7.384957 8.343673       21.24647 13.92657       30.02828 2.746800       30.06584 20.88537 8.746325 19.07843 8.375272 1.806944       12.10964 
1 1 1 -20 9  41 o 21.88497 8.050504 24.98418       22.66575 14.87267       31.13112 36.39070       33.06460 21.14565 8.883638 25.48395 9.652731 -4.338291      13.11847 
1 1 1 -20 9  42 o 20.99836 9.211646 8.036022       36.31298 40.48000       58.76059 -12.01000      46.18843 27.80079 11.95870 20.66925 9.582361 7.131548       15.32424 
1 1 1 -20 9  43 o 22.11987 8.729397 23.78212       27.87522 51.95000       59.47160 15.85151       31.55627 29.00386 12.23707 21.21419 8.930140 7.789671       15.14904 
1 1 1 -20 9  44 o 14.79962 6.929107 -16.29134      25.11652 -28.69000      40.88776 -8.777604      31.82980 17.85551 8.502335 17.62549 8.093173 0.2300186      11.73836 
1 1 1 -20 9  45 o 18.48922 7.943781 8.094806       25.86966 16.90207       33.51161 -4.894000      40.69671 21.42206 9.118201 19.92106 9.148726 1.500998       12.91669 
1 1 1 -20 9  46 o 34.53968 10.03964 80.06301       35.95927 38.78000       58.59809 105.0000       45.54281 26.64157 11.69401 38.14059 11.35589 -11.49902      16.30050 
1 1 1 -20 9  47 o 34.71481 8.592793 75.06941       29.03994 80.50514       38.22517 67.65000       44.65860 34.06438 10.46043 30.51640 11.28716 3.547974       15.38898 
1 1 1 -20 9  48 o 35.45014 7.561217 74.59776       25.43624 55.15556       37.99942 90.38179       34.23838 28.41194 10.42846 37.34630 9.380028 -8.934364      14.02632 
1 1 1 -20 9  49 o 37.58725 7.226559 82.51200       25.62201 106.3630       37.70969 62.05843       34.92080 40.25097 9.688602 30.11355 10.07520 10.13742       13.97779 
1 1 1 -20 9  50 o 20.31213 8.089697 20.05806       24.14631 42.35320       35.42957 0.7202552      32.99623 25.74524 9.932139 18.76911 8.469455 6.976126       13.05293 
1 1 1 -20 9  51 o 21.92284 8.383113 26.86185       25.08696 73.00540       37.11394 -11.95800      34.04148 32.10028 10.36918 17.49234 8.149154 14.60794       13.18820 
1 1 1 -20 9  52 o 20.64707 8.246112 21.74152       25.15881 33.91232       36.76310 11.02050       34.50410 23.96412 9.822697 20.21840 8.920278 3.745720       13.26864 
1 1 1 -20 9  53 o 29.97381 9.591637 62.72412       31.80829 73.44270       39.02525 41.51000       54.90217 31.19011 10.65009 25.47944 11.24636 5.710674       15.48887 
1 1 1 -20 9  54 o 27.51610 9.251403 52.46189       29.44029 103.0000       54.69600 31.84799       34.93222 33.45063 12.46882 23.03780 9.522496 10.41283       15.68915 
1 1 1 -20 10 1  o 45.37711 3.557015 101.7260       15.67278 92.28534       25.15288 107.7176       20.03829 42.78019 6.186135 46.58389 4.448559 -3.803703      7.619577 
1 1 1 -20 10 2  o 61.44096 3.626269 186.0365       21.71144 281.6000       56.41095 169.4188       23.52354 74.86353 7.813027 58.55993 4.130389 16.30360       8.837619 
1 1 1 -20 10 3  o 69.04112 3.022389 234.3023       20.37562 219.5727       31.98473 244.3626       26.43338 66.58405 4.942820 70.41753 3.849646 -3.833488      6.265081 
1 1 1 -20 10 4  o 135.8349 3.303483 905.6875       43.92276 866.1456       62.71862 943.7458       61.53073 132.5260 4.843063 138.4039 4.548074 -5.877945      6.643813 
1 1 1 -20 10 5  o 135.9300 3.303239 906.9962       43.95027 875.6365       62.93924 936.8402       61.39949 133.2468 4.833690 137.8889 4.555392 -4.642136      6.642000 
1 1 1 -20 10 6  o 89.79212 2.983789 396.0124       26.18840 346.7291       37.74951 441.7381       36.36147 83.79498 4.620312 94.71951 3.930433 -10.92452      6.065936 
1 1 1 -20 10 7  o 52.09100 3.512002 133.8691       17.80237 119.5379       26.86458 145.0898       23.77102 48.86822 5.724642 54.10287 4.530263 -5.234653      7.300330 
1 1 1 -20 10 8  o 96.81620 3.026360 460.4340       28.64449 430.5794       41.84359 486.7630       39.29525 93.39551 4.591238 99.40717 4.046924 -6.011658      6.120217 
1 1 1 -20 10 9  o 25.63669 5.769030 33.76311       14.12589 25.62742       21.47787 39.96503       18.75241 23.41715 7.902009 27.83202 6.914314 -4.414869      10.49998 
1 1 1 -20 10 10 o 64.27747 3.149722 203.3277       19.75663 218.0718       29.76271 191.7131       26.41593 66.37030 4.609991 62.24885 4.363020 4.121449       6.347280 
1 1 1 -20 10 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -20 10 12 o 155.5845 3.579854 1190.103       54.51772 1093.238       75.24378 1297.150       79.10011 148.6628 5.178760 162.0089 4.994029 -13.34601      7.194433 
1 1 1 -20 10 13 f 94.92873 3.002687 442.9670       27.86553 425.1908       40.06340 459.6255       38.78340 92.76394 4.425032 96.51607 4.114696 -3.752129      6.042485 
1 1 1 -20 10 14 o 51.68876 3.450275 131.9520       17.35650 122.4936       24.48389 141.5067       24.60817 49.51498 5.125738 53.32483 4.764737 -3.809853      6.998278 
1 1 1 -20 10 15 f 32.99784 4.598109 54.77332       14.44870 41.99377       19.86968 69.11394       21.04831 28.43964 7.147169 36.83557 6.047397 -8.395927      9.362320 
1 1 1 -20 10 16 o 86.46227 3.007095 367.8288       25.41080 408.6446       37.72332 333.9246       34.38134 90.90336 4.251366 82.14563 4.290821 8.757729       6.040303 
1 1 1 -20 10 17 o 20.11629 6.244522 20.12843       13.57867 10.95443       17.97745 32.31433       20.71943 18.23270 7.063885 25.23959 7.691902 -7.006891      10.44336 
1 1 1 -20 10 18 o 79.98091 3.126777 315.1916       24.43160 326.3447       35.13699 304.7521       33.99435 81.11178 4.442585 78.37277 4.449623 2.739006       6.287743 
1 1 1 -20 10 19 o 40.92152 4.229835 83.65516       16.69872 97.27995       22.62424 67.35005       24.74976 43.90795 5.376136 35.94702 7.283824 7.960934       9.053007 
1 1 1 -20 10 20 o 107.4192 3.804250 570.5373       39.93658 491.1000       72.07983 605.7253       47.97322 98.17251 7.559142 110.4826 4.445148 -12.31013      8.769263 
1 1 1 -20 10 21 o 58.68158 3.423520 170.4254       19.57901 196.5510       27.12208 141.9955       28.29281 62.80563 4.440451 53.05103 5.529559 9.754597       7.091800 
1 1 1 -20 10 22 o 84.05788 3.967787 350.5038       32.55408 497.1000       69.37121 309.1037       36.86538 98.69351 7.231184 78.67503 4.810124 20.01848       8.684891 
1 1 1 -20 10 23 o 114.7696 3.800797 652.7287       42.63911 665.0695       52.20540 628.0000       73.90021 115.5083 4.626747 111.0544 6.831415 4.453880       8.250759 
1 1 1 -20 10 24 o 72.28250 3.835383 259.6632       27.03901 262.5192       32.31823 253.0000       49.36473 72.44652 4.580928 69.96799 7.315943 2.478523       8.631798 
1 1 1 -20 10 25 o 59.35089 3.569895 175.0100       20.64319 174.8074       28.05087 175.2493       30.48906 58.92921 4.907562 58.85166 5.351173 0.7755280E-01  7.260800 
1 1 1 -20 10 26 o 30.28276 5.525644 47.52796       15.77557 22.25983       19.91490 90.09386       25.84773 21.70321 7.598360 41.60092 6.565142 -19.89771      10.04172 
1 1 1 -20 10 27 o 119.9138 4.464044 719.2545       52.30520 735.2000       71.77812 701.2000       76.37738 120.1050 6.125782 116.8292 6.707120 3.275780       9.083538 
1 1 1 -20 10 28 o 103.3018 4.731942 536.1608       47.71981 0.000000       0.000000 536.1608       47.71981 ?        ?        103.3018 4.731942 ?              ?        
1 1 1 -20 10 29 o 70.09566 3.513917 244.4727       24.03265 271.4570       33.33147 215.2551       34.68342 73.42492 4.661796 64.98650 5.504180 8.438416       7.213067 
1 1 1 -20 10 30 o 16.78843 6.638662 8.979210       16.15105 25.65051       20.30007 -19.77588      26.66062 22.62640 7.681998 15.61109 7.252064 7.015312       10.56435 
1 1 1 -20 10 31 o 65.69441 3.677702 215.5744       23.55450 235.3170       32.67905 194.2269       33.98130 68.10670 4.935485 61.47244 5.712839 6.634266       7.549540 
1 1 1 -20 10 32 o 36.92305 5.622524 70.99594       19.67990 90.54168       26.13277 45.38892       29.91156 41.31961 6.689878 28.74293 9.310834 12.57668       11.46499 
1 1 1 -20 10 33 o 16.68476 6.869960 6.454127       18.08812 6.263870       23.43553 6.734469       28.44779 18.36638 7.711401 19.88379 8.429800 -1.517408      11.42485 
1 1 1 -20 10 34 o 27.93441 7.103873 42.95277       19.46539 44.58114       26.31567 40.98540       28.92546 28.13539 8.686334 27.22300 9.170243 0.9123917      12.63114 
1 1 1 -20 10 35 o 13.67889 6.219709 -8.347133      18.20668 5.808386       24.57209 -25.57903      27.11101 18.43119 7.825103 14.84842 7.027561 3.582776       10.51755 
1 1 1 -20 10 36 o 46.30746 5.220134 111.8862       23.24949 130.7000       34.32601 95.93985       31.60212 48.64396 7.445752 41.09782 8.143795 7.546139       11.03452 
1 1 1 -20 10 37 o 19.61716 7.808744 14.88868       22.48652 1.346838       27.61810 41.52000       38.73034 18.37784 8.048552 27.40020 10.43104 -9.022360      13.17519 
1 1 1 -20 10 38 o 31.01417 7.182351 54.21446       21.37427 46.77892       29.78304 62.11134       30.69307 28.09899 9.301973 32.05485 9.263022 -3.955858      13.12746 
1 1 1 -20 10 39 o 21.15022 7.713507 22.75874       20.73882 10.44723       28.77178 36.07267       29.92017 20.02877 8.483867 25.39312 9.264304 -5.364351      12.56198 
1 1 1 -20 10 40 o 13.86800 6.418988 -12.40753      20.60248 -3.963713      28.11609 -22.19868      30.27628 17.54729 7.876540 15.98020 7.521448 1.567095       10.89092 
1 1 1 -20 10 41 o 25.72172 8.572154 38.83733       25.28278 29.98375       30.14642 59.83000       46.42056 23.83844 9.170844 30.23413 11.44064 -6.395691      14.66263 
1 1 1 -20 10 42 o 27.04191 8.029344 43.36381       22.79338 41.43606       32.24996 45.28792       32.21949 26.31746 9.615639 27.18626 9.651968 -0.8688030     13.62428 
1 1 1 -20 10 43 o 24.45274 9.442546 33.41142       32.04494 0.000000       0.000000 33.41142       32.04494 ?        ?        24.45274 9.442546 ?              ?        
1 1 1 -20 10 44 o 17.30321 7.816407 -3.478086      28.19246 26.73000       58.85426 -12.47388      32.11707 25.59805 11.45018 17.22223 7.986449 8.375824       13.96030 
1 1 1 -20 10 45 o 31.63239 8.925081 63.47307       28.82970 122.6000       59.21957 45.10721       33.00488 38.54957 13.12026 26.62403 9.727551 11.92554       16.33298 
1 1 1 -20 10 46 o 30.70088 8.219206 57.79370       25.18884 101.1957       38.37010 24.92422       33.39138 39.12788 9.986326 22.67967 9.335823 16.44820       13.67056 
1 1 1 -20 10 47 o 40.88018 9.474578 107.9116       37.17045 51.72000       60.54627 141.9000       47.08878 27.90375 12.07168 45.46944 10.75056 -17.56569      16.16477 
1 1 1 -20 10 48 o 14.30321 6.821272 -23.81644      26.52619 -76.41589      34.37519 53.61000       41.70606 12.93698 6.472489 27.93725 10.77651 -15.00027      12.57085 
1 1 1 -20 10 49 o 41.53917 6.663185 98.15702       26.17661 98.67188       38.44939 97.71222       35.73780 38.13669 10.12992 38.67472 9.508368 -0.5380325     13.89332 
1 1 1 -20 10 50 o 31.11543 8.180786 60.27441       25.24102 -1.535559      36.65771 115.9994       34.80657 19.18879 8.763666 43.24741 8.525525 -24.05862      12.22646 
1 1 1 -20 10 51 o 23.94156 8.546748 35.10168       25.29594 41.72128       37.28361 29.45535       34.43383 25.53486 10.08986 23.20957 9.509130 2.325291       13.86466 
1 1 1 -20 10 52 o 39.54258 8.586779 99.12128       32.28128 90.50873       39.33061 116.9000       56.50865 35.26511 10.56573 36.42475 12.79579 -1.159637      16.59418 
1 1 1 -20 10 53 o 19.99147 8.215077 19.25773       25.79749 -28.73056      38.08192 59.95585       35.07021 16.58913 7.980441 28.68136 10.08004 -12.09223      12.85670 
1 1 1 -20 10 54 o 45.03660 7.316410 122.4559       31.14706 192.0000       57.90860 94.14712       36.94654 48.70965 12.17899 35.98867 10.08587 12.72098       15.81305 
1 1 1 -20 11 1  o 62.07449 3.585903 189.9032       21.69529 221.5000       56.45565 184.4286       23.49977 65.95390 8.977877 61.12446 3.948867 4.829433       9.807947 
1 1 1 -20 11 2  o 102.0916 4.018119 513.2549       40.07468 0.000000       0.000000 513.2549       40.07468 ?        ?        102.0916 4.018119 ?              ?        
1 1 1 -20 11 3  o 110.3775 3.061407 598.3395       33.04366 554.8667       48.06112 637.3113       45.50515 106.0465 4.641351 113.7649 4.093120 -7.718391      6.188358 
1 1 1 -20 11 4  o 93.05415 2.974491 425.3189       27.05804 371.0962       39.52119 473.1607       37.12300 86.67586 4.675588 98.03378 3.876306 -11.35792      6.073456 
1 1 1 -20 11 5  o 77.89220 2.982593 298.1584       22.69818 251.9342       33.60965 336.9198       30.77719 71.33727 4.841975 82.70480 3.812078 -11.36752      6.162520 
1 1 1 -20 11 6  o 138.7503 3.779523 947.0034       51.28289 897.0000       88.42709 972.3445       62.95042 134.2882 6.748942 140.4287 4.585845 -6.140533      8.159546 
1 1 1 -20 11 7  o 150.4865 3.501231 1112.591       51.57325 1060.075       73.40878 1163.774       72.47141 146.4843 5.127682 153.5706 4.827165 -7.086334      7.042346 
1 1 1 -20 11 8  f 159.9165 4.119759 1259.283       64.43317 1247.000       112.2529 1265.318       78.68690 158.1176 7.272366 160.0607 5.028640 -1.943130      8.841636 
1 1 1 -20 11 9  o 100.7982 4.118732 500.9202       40.55150 480.3000       57.44670 521.4000       57.25076 98.29380 5.999378 102.4959 5.729286 -4.202103      8.295616 
1 1 1 -20 11 10 o 60.89570 3.696110 183.0250       21.92744 143.0000       46.98158 194.1718       24.79350 52.48962 9.493620 62.67583 4.063297 -10.18621      10.32663 
1 1 1 -20 11 11 o 66.06721 3.063040 214.8204       19.75428 205.5707       29.71186 222.1485       26.44601 64.37135 4.748972 67.04961 4.048421 -2.678268      6.240389 
1 1 1 -20 11 12 o 32.11443 4.812682 52.02386       14.66300 54.32309       21.99632 50.18503       19.67118 32.38802 7.131707 31.18301 6.647964 1.205002       9.749701 
1 1 1 -20 11 13 o 86.34148 3.033103 366.6667       25.59397 346.1436       37.76103 384.1068       34.80953 83.60869 4.632196 88.20625 4.042489 -4.597565      6.148085 
1 1 1 -20 11 14 o 74.39687 3.090935 272.4786       22.45970 251.2474       33.04604 290.7048       30.61832 71.14118 4.773233 76.68346 4.094024 -5.542282      6.288465 
1 1 1 -20 11 15 o 104.3045 3.428357 535.9579       34.95464 610.6000       62.25922 501.5998       42.24028 110.6937 5.765999 100.7133 4.294690 9.980339       7.189652 
1 1 1 -20 11 16 o 50.06511 3.501420 124.0171       17.05058 127.5393       24.64410 120.7829       23.61513 50.48383 5.055100 49.13173 4.979129 1.352097       7.095476 
1 1 1 -20 11 17 o 66.11794 3.178057 215.6113       20.50754 224.5988       29.51123 207.2185       28.51834 67.22696 4.510850 64.55477 4.542247 2.672188       6.401546 
1 1 1 -20 11 18 o 24.04405 6.160818 30.00459       14.56377 48.55144       19.62745 7.283101       21.72437 30.52588 6.748455 18.55317 7.571486 11.97271       10.14244 
1 1 1 -20 11 19 o 70.09524 3.239772 242.5532       22.16833 254.2650       31.72108 231.3728       30.99310 71.47505 4.557806 68.13839 4.675272 3.336662       6.529300 
1 1 1 -20 11 20 o 25.04296 6.116815 32.68544       14.86296 40.99525       19.31225 20.61287       23.27754 27.94570 7.059105 22.14173 8.156115 5.803974       10.78671 
1 1 1 -20 11 21 f 21.15565 6.528639 22.62666       14.86765 25.10919       18.95487 18.65707       23.96879 22.57299 7.418503 21.77887 8.225429 0.7941189      11.07664 
1 1 1 -20 11 22 o 66.95564 3.794454 222.5677       24.76632 222.0903       29.52928 223.7000       45.47719 66.67703 4.551795 65.95701 7.158785 0.7200241      8.483339 
1 1 1 -20 11 23 o 57.01862 4.165210 162.3006       23.08626 174.5246       27.33649 131.9000       43.10988 58.95942 4.777681 49.48634 9.239619 9.473072       10.40177 
1 1 1 -20 11 24 o 67.26706 4.300027 226.0339       28.16436 257.1000       60.74786 217.5279       31.78712 69.42635 9.162703 65.75884 4.975367 3.667503       10.42638 
1 1 1 -20 11 25 o 12.43470 5.564655 -5.414812      13.91743 -2.189349      17.25896 -11.41189      23.53360 14.66352 6.393383 15.65976 7.101002 -0.9962387     9.555081 
1 1 1 -20 11 26 o 32.76759 5.507942 55.51179       17.04000 47.06000       22.24363 67.51699       26.51040 29.58831 7.630755 35.41991 7.852660 -5.831596      10.94955 
1 1 1 -20 11 27 o 87.03714 4.205870 378.6801       35.72557 279.9000       74.98411 407.6875       40.63391 70.42229 11.25700 90.12283 4.621685 -19.70055      12.16881 
1 1 1 -20 11 28 o 11.82357 5.468341 -11.32247      14.90797 -13.49015      18.59644 -7.424089      24.93875 13.24009 6.117816 16.69909 7.462708 -3.459003      9.649854 
1 1 1 -20 11 29 o 64.64465 3.594573 208.2805       22.65545 191.3456       30.45419 229.2665       33.90165 61.38511 5.114920 67.19020 5.195087 -5.805088      7.290496 
1 1 1 -20 11 30 o 35.51778 5.362457 65.27381       18.06280 58.57112       23.29999 75.36894       28.59479 32.87420 7.417801 37.09953 8.101810 -4.225330      10.98468 
1 1 1 -20 11 31 o 36.58556 5.428198 69.38565       18.85033 98.24638       24.77882 29.73742       29.04283 43.41930 5.989708 24.85575 9.118004 18.56356       10.90938 
1 1 1 -20 11 32 o 36.82063 5.398124 70.47207       18.87782 76.16614       24.38763 61.95972       29.81830 37.67686 6.865729 33.05486 8.983216 4.621998       11.30648 
1 1 1 -20 11 33 o 61.80745 3.913225 192.3317       23.55301 226.2900       32.88978 156.5851       33.74465 66.43579 5.096613 54.44323 6.457839 11.99256       8.226734 
1 1 1 -20 11 34 o 52.05033 4.322414 137.8608       21.82344 151.2451       29.64437 122.0247       32.24546 53.79164 5.717658 47.41612 7.171408 6.375523       9.171734 
1 1 1 -20 11 35 o 51.81165 5.957959 142.0368       29.66626 33.30000       65.50701 170.0918       33.27396 28.95572 12.54158 56.64787 6.096746 -27.69215      13.94495 
1 1 1 -20 11 36 o 31.70092 6.738203 55.41493       20.26359 73.07147       28.17287 36.49023       29.16707 35.63742 8.240870 25.72368 9.178052 9.913738       12.33485 
1 1 1 -20 11 37 o 18.02546 7.423663 9.507984       21.12758 21.94000       31.24611 -0.9635453     28.67677 22.72195 9.150137 18.27200 8.093512 4.449955       12.21597 
1 1 1 -20 11 38 o 18.78693 7.718904 11.27069       22.77082 13.33364       27.94911 7.198000       39.27030 20.39961 8.482397 21.77910 9.565980 -1.379488      12.78511 
1 1 1 -20 11 39 o 20.02967 7.628845 18.68061       20.72272 -18.07699      28.83524 57.94249       29.80132 16.00749 7.471598 30.86499 9.185172 -14.85750      11.84028 
1 1 1 -20 11 40 o 26.82369 8.343863 42.42458       24.22948 33.80873       29.65956 59.71000       42.01029 24.69431 9.186319 30.39245 10.99366 -5.698135      14.32651 
1 1 1 -20 11 41 o 12.13756 5.854380 -27.09866      20.81666 -52.41328      29.20989 -0.9731866     29.67401 13.01979 6.417957 18.27234 8.154836 -5.252548      10.37745 
1 1 1 -20 11 42 o 17.65026 7.607967 5.137454       23.87623 9.541000       37.08771 2.020648       31.20208 21.26583 9.319741 19.00570 8.429180 2.260132       12.56617 
1 1 1 -20 11 43 o 20.47402 8.325013 17.83036       26.14929 -3.401674      33.17376 52.67000       42.49480 18.61325 8.436538 28.36258 10.89421 -9.749332      13.77894 
1 1 1 -20 11 44 o 22.61698 8.758688 27.52290       27.62978 20.78000       57.01822 29.59212       31.58599 24.80151 11.16765 23.41766 9.276311 1.383854       14.51780 
1 1 1 -20 11 45 o 20.29233 8.445394 16.34627       27.74164 39.73000       58.05563 9.426980       31.58044 26.65852 11.67231 19.84826 8.651237 6.810265       14.52882 
1 1 1 -20 11 46 o 14.09479 6.774243 -28.94428      27.29413 -37.43000      57.69938 -26.49808      30.97942 20.20746 9.746781 15.41993 7.358772 4.787537       12.21275 
1 1 1 -20 11 47 o 17.92039 7.577835 9.380722       22.88959 -20.86171      33.78729 35.03453       31.11866 16.66028 7.873180 24.29486 9.324967 -7.634577      12.20418 
1 1 1 -20 11 48 o 26.92114 8.898986 46.16452       27.26137 79.92071       34.91398 -6.561000      43.63480 34.44611 9.856364 20.06707 9.306826 14.37904       13.55599 
1 1 1 -20 11 49 o 23.60980 8.810426 33.14223       27.32352 57.97102       34.58967 -8.062000      44.55941 29.12704 10.02407 20.04487 9.333325 9.082161       13.69646 
1 1 1 -20 11 50 o 46.51292 5.967489 120.1034       26.54372 121.5998       38.31715 118.7228       36.80544 43.36560 9.305602 43.19167 8.998204 0.1739349      12.94457 
1 1 1 -20 11 51 o 30.03706 9.374087 60.77113       30.55511 59.08608       37.27945 64.22000       53.33388 28.78060 10.36337 28.76441 11.81521 0.1618958E-01  15.71619 
1 1 1 -20 11 52 o 42.72810 6.717819 105.8045       27.16998 143.8445       39.88050 72.85466       37.11652 47.28958 8.943195 31.50094 10.38240 15.78864       13.70310 
1 1 1 -20 11 53 o 18.09702 8.025263 6.234245       28.27544 16.04000       49.64153 1.525090       34.40140 22.21936 10.16686 18.64821 8.506404 3.571156       13.25609 
1 1 1 -20 12 1  o 118.7634 4.211757 695.0350       48.88370 0.000000       0.000000 695.0350       48.88370 ?        ?        118.7634 4.211757 ?              ?        
1 1 1 -20 12 2  o 75.62126 3.823896 281.8801       28.21268 0.000000       0.000000 281.8801       28.21268 ?        ?        75.62126 3.823896 ?              ?        
1 1 1 -20 12 3  o 111.9058 3.053168 615.1661       33.41206 584.4447       49.05978 641.7422       45.63001 108.8125 4.616669 114.1328 4.091071 -5.320343      6.168508 
1 1 1 -20 12 4  o 52.67491 3.697348 137.0576       18.94232 208.3000       49.50620 124.8387       20.50249 64.09556 8.069320 50.18793 4.212337 13.90763       9.102621 
1 1 1 -20 12 5  o 51.98308 3.318673 133.2660       16.79804 125.0967       28.16060 137.7785       20.92936 49.94263 5.872660 52.75797 4.084653 -2.815331      7.153497 
1 1 1 -20 12 6  o 126.8874 3.247313 791.3006       40.29876 711.2259       57.38419 869.2179       56.60590 119.9661 4.897128 132.7710 4.361560 -12.80493      6.557825 
1 1 1 -20 12 7  o 61.71302 3.194992 187.5521       19.23409 126.3730       29.84306 231.0225       25.15583 50.11064 6.217554 68.43342 3.770036 -18.32278      7.271255 
1 1 1 -20 12 8  f 110.9304 4.574372 607.8058       49.56277 550.3000       74.94720 652.5000       66.07319 104.7774 7.354424 114.5986 5.910301 -9.821175      9.434999 
1 1 1 -20 12 9  o 22.96189 6.051652 27.09761       13.79078 38.17036       23.63497 21.38174       16.98121 27.39940 8.186173 21.20291 7.024019 6.196493       10.78658 
1 1 1 -20 12 10 o 12.68696 5.517826 -2.108525      12.78799 -8.666280      19.96815 2.451137       16.65047 14.83972 6.651328 15.60457 6.522311 -0.7648487     9.315616 
1 1 1 -20 12 11 o 125.0310 3.227665 768.8253       39.46837 738.0482       57.01023 797.1536       54.69513 122.1469 4.777520 127.0508 4.404761 -4.903915      6.498201 
1 1 1 -20 12 12 o 94.48542 3.030747 439.0884       27.99359 419.5856       41.40280 455.5121       37.99428 92.06157 4.609234 96.05388 4.050166 -3.992310      6.135869 
1 1 1 -20 12 13 o 75.77806 3.057550 282.6863       22.63240 272.8837       33.89446 290.5737       30.40345 74.15571 4.693665 76.65958 4.066367 -2.503868      6.210139 
1 1 1 -20 12 14 o 91.36685 3.606470 411.7614       32.19017 315.1000       63.02705 445.8739       37.44184 78.53616 8.325467 94.99008 4.036117 -16.45392      9.252223 
1 1 1 -20 12 15 o 70.40300 3.143781 244.3011       21.60991 227.6183       31.93835 258.3873       29.34777 67.61729 4.857944 72.21902 4.169341 -4.601730      6.401799 
1 1 1 -20 12 16 o 72.07619 3.158869 256.1392       22.23175 265.3968       33.00638 248.4513       30.07813 73.06236 4.639240 70.74632 4.364762 2.316040       6.369749 
1 1 1 -20 12 17 o 10.66819 5.010143 -13.73286      13.30408 -20.36344      18.53435 -6.685187      19.10841 12.39023 5.848010 14.73732 6.562692 -2.347089      8.790230 
1 1 1 -20 12 18 o 95.31413 3.096459 447.7922       28.85041 470.2716       42.31828 428.2713       39.43539 97.31539 4.454444 92.89059 4.349263 4.424797       6.225605 
1 1 1 -20 12 19 o 49.16269 3.727714 120.0701       17.80474 112.9178       24.70217 127.8034       25.68604 47.26918 5.437839 50.36468 5.289153 -3.095497      7.585857 
1 1 1 -20 12 20 f 43.06931 4.314673 92.88560       17.94488 95.13448       24.01189 90.04066       27.00714 43.20267 5.826583 41.69997 6.854588 1.502697       8.996357 
1 1 1 -20 12 21 o 38.13141 5.325337 74.04034       19.33496 67.71123       22.59320 91.36000       37.37458 36.05901 6.645947 41.04110 9.492652 -4.982086      11.58788 
1 1 1 -20 12 22 o 25.96757 6.831984 35.55062       17.59620 44.95473       20.38150 8.024000       34.87017 29.11431 7.194114 22.37503 9.401180 6.739273       11.83797 
1 1 1 -20 12 23 o 42.82271 4.261834 92.07527       17.62703 55.58092       23.18764 142.0380       27.13105 32.29100 7.482758 52.95687 5.305422 -20.66587      9.172741 
1 1 1 -20 12 24 o 68.16470 4.879106 233.6873       32.33883 0.000000       0.000000 233.6873       32.33883 ?        ?        68.16470 4.879106 ?              ?        
1 1 1 -20 12 25 o 59.62370 3.805625 177.2280       22.09420 198.1000       32.95815 160.1925       29.77551 62.47305 5.444010 56.11585 5.491050 6.357193       7.732327 
1 1 1 -20 12 26 o 23.73707 6.574316 29.76441       15.79869 18.73392       20.18330 47.21542       25.38664 20.68312 7.598808 29.51362 8.391530 -8.830492      11.32076 
1 1 1 -20 12 27 o 49.53086 4.041912 123.0609       19.42584 114.9132       26.14132 133.1086       29.02971 47.26051 5.770496 50.83642 5.946135 -3.575916      8.285840 
1 1 1 -20 12 28 o 41.71519 4.500997 88.13039       18.08786 77.15462       23.71215 103.4048       27.97280 38.28348 6.563947 44.41618 6.637395 -6.132702      9.334903 
1 1 1 -20 12 29 o 42.89296 4.533799 93.31534       18.74733 90.61934       24.43460 97.17361       29.23086 41.65430 6.180037 42.68506 7.255576 -1.030758      9.530806 
1 1 1 -20 12 30 o 48.10202 4.319465 116.9189       20.12127 108.0347       26.50331 129.0067       30.91492 45.52249 6.101458 49.59932 6.525921 -4.076828      8.933949 
1 1 1 -20 12 31 o 17.44818 6.874393 10.38668       17.26147 20.36362       22.01857 -5.522150      27.80414 21.29088 7.916048 17.79811 7.921595 3.492767       11.19890 
1 1 1 -20 12 32 o 45.29445 4.689250 104.8682       20.48965 101.9392       27.29155 108.6517       31.01838 43.78919 6.569775 44.82421 7.322251 -1.035019      9.837545 
1 1 1 -20 12 33 o 35.86326 5.836425 68.05540       19.78430 82.32570       26.61746 50.43895       29.57394 38.78321 7.278860 29.64435 9.217797 9.138861       11.74519 
1 1 1 -20 12 34 o 22.60500 7.305272 27.50301       18.42004 18.07656       24.07493 40.81271       28.60717 20.83160 8.145061 26.93946 9.119579 -6.107855      12.22738 
1 1 1 -20 12 35 o 25.17131 7.356472 35.44011       19.26041 38.99906       25.77283 30.93840       28.98609 26.23103 8.651849 24.42306 9.082191 1.807970       12.54355 
1 1 1 -20 12 36 o 29.31569 7.096466 48.21346       20.14259 37.00949       27.56071 61.05925       29.51105 25.67939 8.942204 32.01954 9.028406 -6.340153      12.70729 
1 1 1 -20 12 37 o 58.57701 4.226829 175.5133       24.07230 198.3436       34.32631 153.4204       33.76733 61.15796 5.803589 53.11353 6.639739 8.044434       8.818604 
1 1 1 -20 12 38 o 24.53196 7.963714 34.17368       21.87557 59.55000       31.53301 10.62998       30.37305 31.13957 9.488997 20.39688 8.681241 10.74269       12.86099 
1 1 1 -20 12 39 o 34.01798 7.414732 66.04092       23.99077 77.21785       29.45652 44.02000       41.34642 36.10488 8.480347 27.53380 10.70015 8.571077       13.65319 
1 1 1 -20 12 40 o 29.36090 7.399746 49.80812       21.25546 64.97720       29.56808 33.58640       30.57681 32.55384 8.985408 24.62657 9.292689 7.927267       12.92639 
1 1 1 -20 12 41 o 47.74857 5.706001 122.6558       26.14121 178.4000       41.44508 85.82671       33.68750 55.65408 7.823690 37.11789 9.293901 18.53618       12.14853 
1 1 1 -20 12 42 o 40.87281 7.277254 95.60515       28.04701 133.4147       35.84278 35.89000       45.04463 47.80281 7.938575 25.87057 10.76383 21.93224       13.37464 
1 1 1 -20 12 43 o 32.11525 8.874752 64.84315       28.82542 36.15000       61.92714 72.77949       32.56882 26.73456 11.86502 33.51902 9.496127 -6.784464      15.19721 
1 1 1 -20 12 44 o 46.31509 5.677044 116.7103       25.19903 164.2402       37.76468 78.56345       33.83233 53.24284 7.449970 34.60036 9.634907 18.64248       12.17922 
1 1 1 -20 12 45 o 23.37273 8.856731 31.21464       27.84305 17.78000       57.76566 35.28040       31.77810 24.43557 11.09815 24.47782 9.416033 -0.4224586E-01 14.55440 
1 1 1 -20 12 46 o 20.76847 8.511658 19.40156       27.59965 5.270000       56.08332 23.91766       31.70449 22.97101 10.61773 22.16316 9.107293 0.8078499      13.98853 
1 1 1 -20 12 47 o 26.02754 9.098319 43.02238       28.54687 5.605000       56.15094 56.06441       33.15071 22.93614 10.60954 28.86980 9.816637 -5.933661      14.45437 
1 1 1 -20 12 48 o 25.91869 8.328362 41.73308       23.96338 17.57802       34.63766 63.90789       33.18750 21.43082 9.199519 30.72202 9.793760 -9.291208      13.43685 
1 1 1 -20 12 49 o 23.53584 8.755605 33.24645       26.94384 33.57275       34.41871 32.73000       43.30125 23.97156 9.620776 24.42886 10.38021 -0.4573059     14.15302 
1 1 1 -20 12 50 o 18.60541 8.527457 -3.635620      35.11797 -3.635620      35.11797 0.000000       0.000000 18.60541 8.527457 ?        ?        ?              ?        
1 1 1 -20 12 51 o 45.69057 7.163979 122.6727       30.98713 124.2639       39.72555 120.2000       49.52062 43.12189 9.652727 38.91756 11.89765 4.204327       15.32088 
1 1 1 -20 12 52 o 33.20900 8.821816 72.84182       29.15875 90.32000       52.55859 65.07028       35.04686 32.07189 12.16496 29.89498 10.09407 2.176916       15.80748 
1 1 1 -20 12 53 o 20.97291 8.260225 24.89919       24.91489 20.07913       36.71267 29.01443       33.92245 21.33057 9.311998 22.44371 9.339705 -1.113142      13.18876 
1 1 1 -20 13 1  o 80.20056 3.245042 316.4893       25.42179 429.7000       59.71372 291.4284       28.09500 92.75459 6.620602 76.88470 3.744474 15.86989       7.606146 
1 1 1 -20 13 2  o 91.29424 3.306212 410.0327       29.49596 535.2000       66.44493 379.3135       32.91708 103.5730 6.588188 87.72207 3.842919 15.85095       7.627074 
1 1 1 -20 13 3  o 54.26571 3.154270 145.1200       16.68225 121.5235       26.87063 159.9191       21.27999 49.23048 5.680222 56.88372 3.844463 -7.653248      6.858923 
1 1 1 -20 13 4  o 66.80359 3.016568 219.5781       19.67421 194.0759       31.53088 235.8371       25.17649 62.45433 5.205113 69.14259 3.733856 -6.688263      6.405848 
1 1 1 -20 13 5  o 51.71501 3.346354 131.9771       16.84833 139.7316       28.50752 127.8146       20.88649 52.84201 5.596519 50.76108 4.242430 2.080929       7.022766 
1 1 1 -20 13 6  f 151.6978 4.158267 1134.472       61.68619 1094.029       76.09328 1212.000       105.3547 148.6509 5.237833 155.8099 6.925307 -7.158997      8.683017 
1 1 1 -20 13 7  o 55.23914 3.757740 150.8396       20.19698 119.6000       49.32761 157.1316       22.13769 47.47946 10.85154 56.34163 4.041017 -8.862164      11.57954 
1 1 1 -20 13 8  o 81.52338 2.990013 326.8649       23.81909 296.0048       36.80028 349.1145       31.24736 77.25053 4.891925 84.13120 3.804304 -6.880669      6.197069 
1 1 1 -20 13 9  o 109.9273 3.082567 594.1927       33.13563 607.8613       50.30824 583.7195       44.03713 110.8573 4.646571 108.7475 4.144662 2.109818       6.226464 
1 1 1 -20 13 10 o 52.91476 3.402832 138.2817       17.53135 153.7982       28.02141 128.3017       22.47289 55.49529 5.219844 50.77201 4.570860 4.723286       6.938266 
1 1 1 -20 13 11 o 12.75574 5.567361 -2.495376      13.11657 -27.08757      20.55238 14.40437       17.03741 12.53561 5.985459 18.94491 6.977902 -6.409303      9.193304 
1 1 1 -20 13 12 o 85.55549 3.021483 360.2560       25.26340 329.7323       37.44866 385.7498       34.22435 81.51406 4.713611 88.35851 3.967251 -6.844452      6.160943 
1 1 1 -20 13 13 o 48.66141 3.558369 117.2434       16.83175 120.6237       26.08017 114.8303       22.03520 48.96935 5.538091 47.93683 4.758910 1.032513       7.301896 
1 1 1 -20 13 14 f 60.09942 3.272612 178.3140       19.17914 163.8591       29.08880 189.4302       25.50917 57.20746 5.253384 61.77211 4.244687 -4.564651      6.753918 
1 1 1 -20 13 15 o 172.5815 3.856871 1470.128       65.15319 1411.669       92.19128 1528.459       92.08986 168.2372 5.606199 175.1963 5.376443 -6.959030      7.767600 
1 1 1 -20 13 16 o 137.0446 3.406944 925.6805       45.70177 902.8693       65.72140 947.0397       63.59517 134.7157 4.992688 138.0980 4.711586 -3.382294      6.864836 
1 1 1 -20 13 17 o 11.28840 5.246158 -12.12344      13.97418 -5.874324      19.62140 -18.55554      19.90662 15.08234 6.686992 13.24398 6.190337 1.838353       9.112417 
1 1 1 -20 13 18 o 126.3197 3.317346 787.4020       40.98191 774.0076       59.08636 799.8194       56.89034 124.6593 4.851615 126.8391 4.589820 -2.179832      6.678669 
1 1 1 -20 13 19 o 14.39622 6.261137 -2.112902      16.46495 -5.032093      19.51283 5.104000       30.68064 15.15805 6.697012 20.84883 8.792464 -5.690783      11.05248 
1 1 1 -20 13 20 o 68.09293 3.995990 230.5581       26.51670 230.1602       32.86681 231.3000       44.88009 67.73703 4.992145 67.16491 6.925802 0.5721207      8.537461 
1 1 1 -20 13 21 o 78.44738 3.305943 304.5504       25.32826 313.7146       36.34300 295.8958       35.31813 79.17534 4.710776 76.88449 4.715711 2.290848       6.665534 
1 1 1 -20 13 22 o 79.30019 3.225124 311.1805       24.98157 306.5813       35.50550 315.6896       35.15565 78.24812 4.656765 79.45000 4.539482 -1.201881      6.503258 
1 1 1 -20 13 23 f 51.17970 4.089576 131.0382       20.31687 101.9000       29.01814 159.0562       28.45491 44.16246 6.941676 56.04688 5.247828 -11.88442      8.702102 
1 1 1 -20 13 24 o 35.74455 5.361845 65.63433       18.18188 49.20000       25.18125 83.53421       26.28006 30.16596 8.278671 39.83645 6.994743 -9.670490      10.83803 
1 1 1 -20 13 25 o 72.49191 3.390902 260.9183       23.99418 276.9052       34.30351 245.6041       33.57403 74.18336 4.749117 69.76557 4.948620 4.417793       6.858787 
1 1 1 -20 13 26 o 52.74780 3.837071 139.1340       19.67571 109.2767       26.44849 176.1351       29.44309 45.97652 6.021627 58.90410 5.158611 -12.92758      7.929141 
1 1 1 -20 13 27 o 47.73121 4.122128 114.5205       19.07030 111.1797       25.65646 118.6451       28.50719 46.44970 5.766762 47.80681 6.240829 -1.357113      8.497263 
1 1 1 -20 13 28 o 36.61846 5.026600 68.82008       17.54198 41.55981       22.94082 107.2011       27.22086 27.66755 8.012144 45.32400 6.306318 -17.65645      10.19628 
1 1 1 -20 13 29 o 27.75336 7.109188 41.68178       19.39653 36.31280       22.18543 59.10000       39.95983 25.97617 7.967680 32.36884 10.77652 -6.392673      13.40214 
1 1 1 -20 13 30 f 45.54631 4.752391 105.7520       20.87575 116.6000       28.84018 93.81261       30.25623 47.11385 6.420695 41.55935 7.721900 5.554504       10.04256 
1 1 1 -20 13 31 o 16.03824 6.595678 5.896957       16.64595 6.890785       20.84871 4.149434       27.64619 17.68866 7.338140 19.20937 8.231853 -1.520716      11.02777 
1 1 1 -20 13 32 o 37.74212 5.361192 74.31635       19.24934 77.92604       25.34178 69.39298       29.59601 37.84011 7.102719 34.85984 8.701430 2.980278       11.23225 
1 1 1 -20 13 33 o 15.02942 6.511711 0.1575141      17.67037 -19.91331      22.74602 30.70720       28.06250 13.89958 6.535036 24.46711 8.964863 -10.56753      11.09394 
1 1 1 -20 13 34 o 41.68041 5.128901 90.66500       20.48412 68.37872       27.74227 117.3804       30.37415 34.44041 8.322817 46.42938 6.892384 -11.98896      10.80621 
1 1 1 -20 13 35 o 39.99617 5.512192 84.56245       21.00664 104.9544       29.91890 64.73581       29.50125 43.52575 7.279384 33.06129 8.914323 10.46446       11.50889 
1 1 1 -20 13 36 o 22.10936 7.535004 26.30027       19.53302 34.72047       26.74939 16.68134       28.59013 24.96731 8.801005 21.20245 8.673231 3.764854       12.35648 
1 1 1 -20 13 37 o 25.09820 7.665534 35.88660       20.56284 47.47088       28.00031 22.32522       30.29564 28.23410 8.995347 22.52041 9.030351 5.713694       12.74612 
1 1 1 -20 13 38 o 57.28772 5.014326 171.3882       27.83454 187.4462       34.57218 141.8000       46.92901 59.09835 6.062322 47.48630 10.38621 11.61205       12.02601 
1 1 1 -20 13 39 o 23.03231 7.907887 29.56920       21.52292 45.53000       31.18053 15.04314       29.74612 27.43052 9.513682 20.88722 8.723101 6.543295       12.90746 
1 1 1 -20 13 40 o 63.45985 5.318877 212.9956       32.73519 251.0000       44.95550 170.1000       47.76085 67.23960 6.929609 52.50399 9.648832 14.73561       11.87937 
1 1 1 -20 13 41 o 58.30589 7.413536 193.0298       41.35472 121.6000       68.65780 233.7000       51.80695 38.06460 14.00988 62.70387 8.672837 -24.63927      16.47710 
1 1 1 -20 13 42 o 25.86393 9.008670 40.79997       27.97285 155.9000       64.59702 14.23487       31.03348 43.83414 13.62209 20.66870 8.785230 23.16544       16.20930 
1 1 1 -20 13 43 o 14.11690 6.515407 -10.26120      21.00368 31.28100       30.23001 -49.03123      29.20395 23.61702 9.157288 13.11371 6.455168 10.50330       11.20380 
1 1 1 -20 13 44 o 29.26887 7.745677 51.67656       22.53284 40.03986       32.46546 62.49212       31.29904 25.45023 9.581518 30.86060 9.463357 -5.410374      13.46702 
1 1 1 -20 13 45 f 23.41529 8.065926 32.35446       22.39753 39.23660       31.93065 25.68849       31.42517 25.28456 9.505896 22.53545 9.139871 2.749113       13.18709 
1 1 1 -20 13 46 o 70.89612 4.168486 260.6984       28.79959 267.5442       41.54722 254.3667       39.95687 69.56583 6.165318 67.93772 6.072575 1.628105       8.653746 
1 1 1 -20 13 47 o 33.67763 8.672595 71.68694       28.76100 11.26000       56.05752 93.27634       33.50725 23.38396 10.73844 38.16562 9.098339 -14.78166      14.07458 
1 1 1 -20 13 48 o 19.12666 8.223491 10.60026       27.76077 14.54000       54.10980 9.192787       32.34158 23.43064 10.68037 19.78870 8.686787 3.641937       13.76701 
1 1 1 -20 13 49 o 20.23109 8.489915 16.83722       28.38347 56.49890       34.45576 -66.90000      50.06516 28.59044 9.995589 16.92797 8.355365 11.66247       13.02781 
1 1 1 -20 13 50 o 14.05420 6.717458 -23.78843      26.02848 -36.68483      33.64671 -4.570000      41.07404 15.11195 7.326081 19.58490 9.064519 -4.472941      11.65491 
1 1 1 -20 13 51 o 57.57009 6.674105 190.6736       36.91337 197.8000       53.94840 184.4000       50.61744 52.83776 10.79613 51.59316 10.38296 1.244602       14.97873 
1 1 1 -20 13 52 o 19.99087 8.359473 18.50318       27.37016 25.58575       35.69415 8.396000       42.63993 22.09301 9.407342 20.70123 9.453388 1.391781       13.33659 
1 1 1 -20 13 53 o 18.49212 8.053954 10.78789       27.32574 -1.495754      35.61837 28.36000       42.60124 18.37602 8.482364 22.74647 9.977988 -4.370451      13.09621 
1 1 1 -20 14 1  o 30.46310 4.482611 46.73526       12.96704 23.68508       23.10496 57.33358       15.66702 23.11930 8.176845 33.72735 4.887974 -10.60805      9.526441 
1 1 1 -20 14 2  o 117.0646 3.098607 673.7402       35.47449 654.1213       52.88220 689.7922       47.83383 115.0064 4.707609 118.2437 4.139246 -3.237335      6.268567 
1 1 1 -20 14 3  o 153.5501 4.073932 1162.431       61.17672 1287.000       119.5412 1118.230       71.20802 160.1180 7.649430 150.3723 4.844200 9.745712       9.054284 
1 1 1 -20 14 4  o 91.28640 3.006012 409.7763       26.82318 347.4479       39.91193 461.1161       36.22320 83.71188 4.892224 96.70251 3.834464 -12.99063      6.215865 
1 1 1 -20 14 5  o 36.65478 6.817160 69.05369       23.55910 39.77000       46.64871 79.08000       27.29589 30.91209 11.51656 39.15335 7.393255 -8.241259      13.68544 
1 1 1 -20 14 6  o 66.06051 3.086874 214.9030       19.90510 189.2243       32.39740 230.4747       25.22854 61.56673 5.431627 68.31344 3.787767 -6.746704      6.621914 
1 1 1 -20 14 7  o 72.85845 3.065065 261.3187       21.80995 206.9953       33.73364 300.3354       28.58878 64.40840 5.400425 78.00831 3.755138 -13.59991      6.577664 
1 1 1 -20 14 8  o 120.2765 3.194618 711.7667       37.57692 665.5833       55.00612 752.1797       51.45503 115.9019 4.859357 123.3932 4.266622 -7.491310      6.466639 
1 1 1 -20 14 9  o 73.51910 3.067732 266.1569       22.02767 219.9482       34.04175 299.4415       28.89162 66.40305 5.280892 77.86498 3.802232 -11.46194      6.507288 
1 1 1 -20 14 10 o 96.12443 3.055534 454.7349       28.71277 397.0619       42.17178 504.5727       39.20259 89.43513 4.835324 101.0710 3.970341 -11.63586      6.256513 
1 1 1 -20 14 11 o 150.3959 3.536580 1114.094       52.06256 1065.152       74.44405 1160.946       72.83739 146.4256 5.202326 153.0155 4.869292 -6.589996      7.125602 
1 1 1 -20 14 12 o 18.31012 6.276627 15.43003       13.55772 2.475333       21.66718 23.76605       17.38074 17.53531 7.391648 21.99219 7.095238 -4.456871      10.24592 
1 1 1 -20 14 13 o 43.93401 3.827052 95.95570       16.29371 109.1179       25.75744 87.17500       21.03791 46.43938 5.791996 41.55649 5.291861 4.882896       7.845445 
1 1 1 -20 14 14 o 13.42748 5.756348 -0.4190789     13.52835 14.52405       20.87439 -11.24051      17.76378 20.00731 7.647858 13.35085 6.098630 6.656466       9.781770 
1 1 1 -20 14 15 o 73.24052 3.130499 264.6374       22.39073 263.4517       33.85508 265.5593       29.85192 72.69166 4.784698 73.13972 4.187275 -0.4480591     6.358192 
1 1 1 -20 14 16 o 84.36816 3.102257 351.0882       25.57540 357.4442       38.46870 346.0534       34.23799 84.72116 4.656749 83.49013 4.203064 1.231033       6.273042 
1 1 1 -20 14 17 o 36.23513 4.823653 66.40218       16.68392 74.34250       24.76816 59.80666       22.57351 37.79213 6.951635 33.78484 7.054161 4.007290       9.903858 
1 1 1 -20 14 18 o 50.19174 4.490685 126.1263       21.82946 112.2127       27.48475 149.9000       35.92702 46.85504 6.140419 53.96570 6.963538 -7.110657      9.284159 
1 1 1 -20 14 19 o 23.35021 7.160647 27.99006       17.92002 12.24933       21.84682 60.36000       31.32902 19.60194 7.730417 33.42171 9.258417 -13.81977      12.06141 
1 1 1 -20 14 20 o 10.81752 5.136698 -17.59090      14.71707 -34.68506      19.97996 2.684724       21.75994 11.40306 5.554788 17.44819 7.383808 -6.045128      9.239929 
1 1 1 -20 14 21 o 11.94499 5.476737 -9.643044      14.50303 -7.133379      19.75557 -12.57660      21.35891 14.82712 6.632966 14.63330 6.685553 0.1938295      9.417688 
1 1 1 -20 14 22 o 64.41306 3.696006 206.3942       23.20522 217.0000       36.56792 199.2441       30.02519 65.30853 5.779983 62.89449 4.916194 2.414047       7.587962 
1 1 1 -20 14 23 o 40.58773 4.847164 83.63102       18.87679 74.67000       27.65426 91.44913       25.83058 37.30524 7.823580 41.90163 6.509068 -4.596390      10.17725 
1 1 1 -20 14 24 o 28.41267 6.183099 42.59351       16.70625 32.41654       22.30602 55.59532       25.21245 24.98615 8.035814 32.00262 8.055599 -7.016466      11.37836 
1 1 1 -20 14 25 o 50.79199 3.913696 129.1744       19.30762 99.36989       26.13446 164.9891       28.64859 43.70425 6.290111 56.98083 5.193533 -13.27657      8.157101 
1 1 1 -20 14 26 o 94.95976 3.259968 447.3564       30.25622 397.9979       41.95682 500.8334       43.67224 88.83698 4.843379 99.89260 4.477869 -11.05563      6.596183 
1 1 1 -20 14 27 o 78.78261 4.213297 311.2915       32.37249 285.4000       66.98178 319.1825       36.97799 71.78856 9.786832 79.50745 4.773465 -7.718895      10.88890 
1 1 1 -20 14 28 o 52.18538 4.038671 136.9074       20.46929 102.3735       27.49257 179.8627       30.66199 44.10050 6.569083 59.30407 5.339243 -15.20357      8.465245 
1 1 1 -20 14 29 o 74.69117 3.531666 278.3485       25.74680 278.8356       36.48907 277.8655       36.33436 74.01729 5.066999 73.89523 5.053789 0.1220551      7.156484 
1 1 1 -20 14 30 o 35.62286 5.687188 66.52666       19.16397 72.44259       25.79694 59.24131       28.62743 36.39990 7.490329 32.34207 8.807206 4.057831       11.56166 
1 1 1 -20 14 31 o 26.43333 7.038720 38.31281       18.53479 51.92616       24.47902 20.02183       28.37461 30.40464 8.085767 22.30688 8.805986 8.097755       11.95512 
1 1 1 -20 14 32 o 44.38715 4.780899 101.4217       20.44456 94.31381       27.37470 110.3868       30.74358 41.68986 6.953046 45.00217 7.223699 -3.312313      10.02630 
1 1 1 -20 14 33 o 34.26526 5.989940 62.97734       19.35910 83.14334       26.07702 38.21713       28.89516 38.84671 7.120315 26.20274 9.154061 12.64397       11.59723 
1 1 1 -20 14 34 o 14.39525 6.371061 -2.803237      17.73391 -1.598230      23.29784 -4.463193      27.34446 16.61535 7.330314 17.43716 7.801887 -0.8218136     10.70528 
1 1 1 -20 14 35 o 26.65494 7.192863 40.10476       19.19787 52.15363       26.19658 26.12719       28.21546 29.78580 8.542384 23.10415 8.876420 6.681654       12.31922 
1 1 1 -20 14 36 o 36.27141 6.724497 72.69794       22.99539 75.91038       27.99186 66.03000       40.32831 36.19419 8.103281 32.10550 10.82796 4.088688       13.52435 
1 1 1 -20 14 37 o 20.17748 7.757791 18.68412       21.56313 13.14015       25.71395 31.82000       39.58111 19.80425 8.176424 25.36651 10.26867 -5.562260      13.12629 
1 1 1 -20 14 38 o 17.82565 7.195475 11.30659       19.37267 -10.35256      25.84412 39.08577       29.26851 15.95826 7.314622 25.91585 9.199503 -9.957586      11.75307 
1 1 1 -20 14 39 o 14.67106 6.646492 -6.478455      20.55961 57.78000       30.43782 -60.39639      27.88143 30.46135 9.330624 12.07510 6.007582 18.38625       11.09737 
1 1 1 -20 14 40 o 44.65517 7.229780 113.1746       30.52166 129.5000       40.48997 91.69000       46.44941 45.81253 9.346285 35.97602 11.59838 9.836510       14.89549 
1 1 1 -20 14 41 o 28.57176 10.06575 52.76254       34.98605 99.10000       62.04477 31.16000       42.36347 34.99215 13.22986 24.88258 10.40218 10.10957       16.82958 
1 1 1 -20 14 42 o 16.91328 7.228142 6.041034       21.20958 20.85837       30.51658 -7.804646      29.49904 21.61726 8.914383 17.05539 7.816474 4.561874       11.85595 
1 1 1 -20 14 43 o 22.13470 7.893613 27.90151       21.57200 64.30434       31.28644 -5.088613      29.78384 31.35321 9.430315 17.41623 7.933057 13.93698       12.32332 
1 1 1 -20 14 44 o 46.18487 5.394433 115.1047       23.92788 108.8252       34.50860 120.9196       33.20717 41.99154 8.682654 45.24286 7.778885 -3.251320      11.65760 
1 1 1 -20 14 45 o 18.49382 7.653669 12.68244       22.60437 2.697674       32.12070 22.47885       31.81628 18.89711 8.455428 21.88826 9.071345 -2.991152      12.40095 
1 1 1 -20 14 46 o 31.35870 7.694017 59.42717       23.43609 86.36298       33.86432 34.66820       32.46710 36.27585 9.445731 24.17557 9.456930 12.10028       13.36620 
1 1 1 -20 14 47 o 38.86835 6.701197 86.45727       24.57450 98.38464       35.24144 75.16822       34.28545 38.88602 9.370029 33.27579 9.839334 5.610233       13.58712 
1 1 1 -20 14 48 o 27.18665 10.28709 50.48125       37.53051 39.87000       56.00617 59.13000       50.56260 25.99894 11.42154 28.33744 11.55611 -2.338493      16.24793 
1 1 1 -20 14 49 o 36.05427 8.453939 81.67119       29.31395 76.72000       55.26706 83.60938       34.57877 30.54828 12.21469 35.10048 9.728015 -4.552200      15.61515 
1 1 1 -20 14 50 o 28.98644 10.01113 59.50818       34.51123 0.000000       0.000000 59.50818       34.51123 ?        ?        28.98644 10.01113 ?              ?        
1 1 1 -20 14 51 o 18.10741 7.718275 10.90887       24.07115 -6.285752      34.72325 26.81684       33.39885 17.93730 8.313234 22.21894 9.258448 -4.281647      12.44302 
1 1 1 -20 14 52 o 23.25611 8.825256 34.74588       27.66941 27.40041       35.63390 45.90000       43.91077 22.24702 9.433288 25.32526 10.58908 -3.078232      14.18152 
1 1 1 -20 15 1  o 55.42687 3.167763 151.5251       17.11460 130.6725       29.28834 162.3376       21.09002 50.92606 5.989962 57.28521 3.782382 -6.359146      7.084212 
1 1 1 -20 15 2  o 79.73944 2.968990 312.8640       23.13285 278.3178       36.70300 335.6314       29.79597 74.81520 5.041369 82.47384 3.700348 -7.658638      6.253637 
1 1 1 -20 15 3  o 28.79463 6.093303 42.77448       16.63749 34.24274       23.46491 51.40000       23.59353 26.13876 8.223125 31.37347 7.733115 -5.234707      11.28808 
1 1 1 -20 15 4  o 125.9536 3.699073 782.0248       45.55531 781.4000       87.63284 782.2561       53.32710 124.6635 7.212398 125.8037 4.337088 -1.140289      8.415998 
1 1 1 -20 15 5  o 57.28485 3.171564 161.8559       17.71418 127.0186       29.18945 182.1661       22.28755 50.16348 6.067904 60.69051 3.770383 -10.52703      7.143896 
1 1 1 -20 15 6  o 39.79885 3.780820 78.74561       14.55197 64.86271       25.38740 85.53882       17.75890 35.27818 7.578132 41.37569 4.455074 -6.097507      8.790664 
1 1 1 -20 15 7  o 31.99717 5.885946 52.50129       17.75552 37.73380       23.97166 70.45000       26.42783 27.18970 8.271059 36.78284 7.592038 -9.593140      11.22717 
1 1 1 -20 15 8  o 108.2458 3.112087 576.7687       32.93958 534.2990       48.81414 612.2751       44.63331 103.7614 4.819387 111.2967 4.104072 -7.535355      6.330079 
1 1 1 -20 15 9  o 49.70249 3.443498 122.2388       16.64910 121.6983       27.46677 122.5528       20.93313 49.09757 5.828952 49.60503 4.355408 -0.5074654     7.276419 
1 1 1 -20 15 10 o 51.74758 3.410103 132.4625       17.17657 100.0723       27.64318 152.8334       21.92232 44.24363 6.583351 55.48320 4.064838 -11.23958      7.737145 
1 1 1 -20 15 11 o 115.4929 3.164114 657.0760       35.73585 649.5540       53.28890 663.2233       48.17361 114.3579 4.771108 115.7282 4.259962 -1.370232      6.396151 
1 1 1 -20 15 12 o 37.90573 4.239052 71.93854       15.45923 41.86561       24.37770 92.16755       19.99366 28.35154 8.273526 42.83031 4.854595 -14.47877      9.592618 
1 1 1 -20 15 13 o 97.05668 3.069468 464.2425       29.12383 430.6852       43.14603 492.3297       39.47322 93.02654 4.754122 99.69853 4.053349 -6.671989      6.247505 
1 1 1 -20 15 14 o 32.04500 5.027029 52.26936       15.24973 49.16265       24.15197 54.32909       19.66562 30.49277 7.995279 32.33936 6.438952 -1.846586      10.26570 
1 1 1 -20 15 15 o 20.54352 6.448248 21.12715       14.43675 31.44803       22.53740 13.94528       18.80027 25.01226 8.080364 19.20662 7.277819 5.805641       10.87469 
1 1 1 -20 15 16 o 27.12151 5.899246 38.27804       15.21412 44.44080       23.11774 33.56954       20.20688 28.98792 7.922904 25.43600 7.561935 3.551914       10.95241 
1 1 1 -20 15 17 o 20.39741 7.111577 19.27148       17.43431 30.25415       22.41943 2.469000       27.73047 24.57701 8.067563 19.46115 8.289392 5.115860       11.56718 
1 1 1 -20 15 18 o 42.32914 4.948921 90.63309       20.11828 98.26074       25.72839 78.63000       32.27483 43.71974 6.184618 38.15973 8.817819 5.560009       10.77049 
1 1 1 -20 15 19 o 39.99316 4.539885 80.68722       17.45793 108.0811       26.29868 59.10444       23.34321 45.90891 5.995469 33.35691 7.348175 12.55200       9.483740 
1 1 1 -20 15 20 o 22.30125 6.764194 25.66375       16.04873 18.43190       22.88530 32.66156       22.51197 21.31458 8.040178 25.19009 8.070034 -3.875517      11.39166 
1 1 1 -20 15 21 o 84.35706 3.525120 353.1241       29.04313 358.3000       48.17218 350.1682       36.40335 83.95033 5.899862 83.65836 4.461689 0.2919693      7.396962 
1 1 1 -20 15 22 o 66.81550 3.751660 222.3442       24.43763 216.8000       38.86499 225.9695       31.42775 65.02292 6.180641 66.98415 4.825648 -1.961227      7.841378 
1 1 1 -20 15 23 o 69.05768 4.203162 238.7277       28.27696 340.0000       66.05904 216.0085       31.28840 79.84754 8.586894 65.40426 4.923470 14.44328       9.898248 
1 1 1 -20 15 24 o 52.79428 3.887550 139.4808       19.94861 120.9723       28.28862 157.7890       28.13519 48.36045 6.112357 55.69629 5.221694 -7.335835      8.039091 
1 1 1 -20 15 25 o 73.69565 3.418330 270.0404       24.59106 246.8897       34.99892 292.6133       34.55927 69.75845 5.162261 76.21854 4.654505 -6.460091      6.950781 
1 1 1 -20 15 26 o 80.03509 3.365409 318.4678       26.30596 263.9912       36.42155 377.8792       38.03541 72.07030 5.197844 86.67339 4.498679 -14.60310      6.874278 
1 1 1 -20 15 27 o 60.03454 3.779509 180.3957       22.09699 199.2143       31.27077 161.6273       31.22900 62.51926 5.155758 55.98367 5.781990 6.535599       7.746821 
1 1 1 -20 15 28 o 39.27462 4.972484 79.17667       18.68797 48.42629       25.20522 116.7183       27.84979 29.57554 8.345376 47.27103 6.165755 -17.69549      10.37602 
1 1 1 -20 15 29 o 39.24925 5.072196 79.45961       19.03131 50.29855       25.65911 115.1176       28.37384 29.98175 8.406174 46.73540 6.367965 -16.75365      10.54584 
1 1 1 -20 15 30 o 20.71057 7.194938 21.39579       17.83714 29.60298       24.04217 11.34728       26.60281 23.91084 8.350258 20.17265 8.321346 3.738194       11.78862 
1 1 1 -20 15 31 o 37.49241 5.697005 74.14079       20.25019 68.29725       27.38316 81.19344       30.08306 34.72243 8.190474 37.84497 8.345660 -3.122540      11.69333 
1 1 1 -20 15 32 o 17.99861 7.032732 12.55892       17.93862 8.101584       23.31335 19.02814       28.08621 18.45957 7.716840 21.79025 8.709311 -3.330681      11.63622 
1 1 1 -20 15 33 o 50.36240 4.553909 130.4458       22.20667 140.8476       31.07922 119.5962       31.74119 51.24291 6.330753 46.60004 7.189765 4.642872       9.579726 
1 1 1 -20 15 34 o 28.65604 7.039595 46.09809       19.60069 55.61133       27.61360 36.43742       27.82676 30.66102 8.763044 25.50917 8.977804 5.151852       12.54559 
1 1 1 -20 15 35 o 15.17992 6.779928 -4.018377      20.55305 -14.46944      25.41839 15.72000       34.93200 15.36823 7.119135 22.17777 9.368896 -6.809537      11.76683 
1 1 1 -20 15 36 o 21.85390 7.950314 24.88991       22.01227 23.94761       26.89938 26.80000       38.29790 22.27613 8.637909 24.36976 10.01133 -2.093628      13.22272 
1 1 1 -20 15 37 o 18.90418 7.360676 15.39141       19.59516 24.35432       26.41257 4.419138       29.22363 22.24624 8.577374 19.05398 8.313306 3.192261       11.94497 
1 1 1 -20 15 38 o 37.05299 6.430715 75.89268       22.47782 88.67000       33.72762 65.68271       30.14937 37.98484 9.175225 32.61522 9.100287 5.369614       12.92285 
1 1 1 -20 15 39 o 25.27571 8.378915 37.71110       24.16310 32.25354       29.41294 49.04000       42.37727 24.10458 9.110023 28.01628 10.84785 -3.911703      14.16574 
1 1 1 -20 15 40 o 25.61872 8.688313 39.29202       25.96626 -16.02000      58.35686 52.94641       28.99468 22.17392 10.43841 29.10355 9.138772 -6.929636      13.87363 
1 1 1 -20 15 41 o 42.12016 6.124467 97.87637       24.51093 118.8000       39.75301 85.04286       31.13323 43.09800 9.662592 37.11787 8.718421 5.980125       13.01447 
1 1 1 -20 15 42 o 19.04690 7.918858 13.11025       24.35413 20.23418       29.34869 -2.643000      43.64295 21.29499 8.757738 20.62097 9.471610 0.6740246      12.89998 
1 1 1 -20 15 43 o 12.59392 5.998825 -20.06562      20.38734 4.787893       28.84258 -44.88285      28.82152 18.52990 8.166294 13.24727 6.499196 5.282630       10.43685 
1 1 1 -20 15 44 o 21.56133 7.890892 25.92815       21.73176 -8.501361      30.99256 59.22946       30.48054 17.26499 7.948936 30.07171 9.359186 -12.80672      12.27925 
1 1 1 -20 15 45 o 42.04094 5.992456 97.95518       23.96224 123.5843       35.01023 75.36828       32.86670 45.14286 8.226170 33.72946 9.533900 11.41340       12.59226 
1 1 1 -20 15 46 o 15.64222 7.014452 -2.131235      22.23766 0.1157189      31.70238 -4.307708      31.20121 18.41194 8.305610 17.73887 8.095244 0.6730633      11.59811 
1 1 1 -20 15 47 o 29.36425 8.933086 55.91959       27.96213 37.95092       33.40998 97.94000       51.09148 24.79078 9.622885 34.84473 12.17243 -10.05395      15.51670 
1 1 1 -20 15 48 o 31.18195 7.928912 60.05844       24.25111 90.09457       34.94252 32.14605       33.68456 36.62163 9.623930 23.55491 9.495216 13.06672       13.51958 
1 1 1 -20 15 49 o 21.00974 8.441636 22.57172       26.53062 20.28000       45.43303 23.75756       32.68165 22.83576 10.14717 21.93880 9.151408 0.8969650      13.66431 
1 1 1 -20 15 50 o 24.66863 9.091009 39.52906       28.92521 -40.09000      55.45804 69.28204       33.90168 19.07012 9.281751 31.24536 9.891281 -12.17524      13.56423 
1 1 1 -20 15 51 o 26.72721 9.156619 49.14357       28.85282 80.48000       55.41131 37.48675       33.79587 29.85151 12.12581 23.97197 9.562882 5.879543       15.44293 
1 1 1 -20 15 52 o 17.02772 7.743148 -0.3762038     28.22644 -116.1000      54.32064 42.42827       33.03681 15.20510 7.676315 24.68067 9.572074 -9.475573      12.26990 
1 1 1 -20 16 1  o 113.4777 4.823805 638.9566       53.45824 638.9566       53.45824 0.000000       0.000000 113.4777 4.823805 ?        ?        ?              ?        
1 1 1 -20 16 2  o 128.3456 4.812155 817.0276       60.34718 733.9000       89.29965 886.9000       81.87102 120.4301 7.614439 133.1055 6.301776 -12.67545      9.883929 
1 1 1 -20 16 3  o 98.09666 3.064417 473.7406       29.38835 406.9682       44.31524 526.1597       39.26443 90.45643 5.024784 103.2038 3.893831 -12.74736      6.356915 
1 1 1 -20 16 4  o 124.7061 3.217264 765.8200       39.23899 691.9543       56.38798 835.1722       54.63801 118.0570 4.890235 129.9230 4.302311 -11.86603      6.513393 
1 1 1 -20 16 5  o 59.72882 3.129325 176.0017       18.23153 121.7006       29.36584 210.0589       23.25641 48.97463 6.269422 65.17656 3.660103 -16.20193      7.259615 
1 1 1 -20 16 6  o 60.78974 3.143047 182.3255       18.63847 145.0070       30.39435 204.8163       23.59566 53.61634 5.888261 64.33140 3.763604 -10.71505      6.988300 
1 1 1 -20 16 7  o 61.09101 3.130208 184.1450       18.65548 142.2843       29.85674 210.9553       23.89405 53.10590 5.839991 65.28696 3.754853 -12.18107      6.942940 
1 1 1 -20 16 8  o 56.52096 3.260545 157.8321       17.96217 141.7578       29.40742 167.3981       22.68576 53.01496 5.759431 58.07647 4.015399 -5.061516      7.021002 
1 1 1 -20 16 9  o 93.86021 3.305780 434.5265       30.32376 434.8000       54.88874 434.4064       36.37948 93.04764 6.059553 93.68562 3.976181 -0.6379776     7.247634 
1 1 1 -20 16 10 o 70.02241 3.039136 241.7965       20.78060 216.5585       32.38168 259.4679       27.09607 65.80891 5.065957 72.38091 3.838233 -6.571999      6.355782 
1 1 1 -20 16 11 o 57.32005 3.245474 162.4107       18.13481 172.1159       29.76683 156.6823       22.86876 58.55772 5.248904 56.10965 4.194234 2.448071       6.718824 
1 1 1 -20 16 12 o 19.47752 6.324573 18.55668       13.79668 -12.20681      22.18886 37.94684       17.61603 15.11754 6.870893 26.91993 6.709533 -11.80239      9.603488 
1 1 1 -20 16 13 o 86.78127 3.060002 371.4619       25.95217 375.0376       39.95084 368.8514       34.13529 86.73631 4.723467 86.22277 4.055966 0.5135422      6.225914 
1 1 1 -20 16 14 o 16.94582 6.315124 11.30204       14.02874 14.56790       22.17838 9.123821       18.11267 20.30158 7.851223 17.68667 7.018661 2.614904       10.53106 
1 1 1 -20 16 15 f 54.49734 3.620187 147.4697       19.20187 158.1125       29.44612 139.5956       25.32789 55.94778 5.445820 52.68003 4.970634 3.267757       7.373206 
1 1 1 -20 16 16 o 16.62759 6.701360 7.003535       16.77448 22.59123       23.21709 -10.02000      24.26284 22.53370 8.169712 16.20408 7.291652 6.329613       10.95045 
1 1 1 -20 16 17 f 55.52389 4.172105 154.0215       22.50884 140.2590       29.25172 174.0000       35.24379 52.47247 5.791503 58.32078 6.272283 -5.848312      8.537156 
1 1 1 -20 16 18 o 85.87502 3.203223 364.8266       26.87809 352.8529       40.12111 374.5758       36.20287 83.84846 4.909941 86.65448 4.281468 -2.806023      6.514482 
1 1 1 -20 16 19 o 44.51377 4.195509 99.43967       18.06478 101.5702       26.99366 97.71157       24.31128 44.28799 6.413310 43.62583 5.839759 0.6621590      8.673715 
1 1 1 -20 16 20 f 23.73094 6.942673 29.53592       17.14685 60.44000       26.41312 7.025057       22.54280 33.41925 8.149014 18.53841 7.654917 14.88084       11.18053 
1 1 1 -20 16 21 o 62.41462 3.805705 194.2674       23.13974 186.1000       36.93660 199.5435       29.68750 60.08905 6.377194 62.89622 4.859843 -2.807171      8.017898 
1 1 1 -20 16 22 o 31.46166 5.878979 51.74395       17.43909 24.96849       25.23810 76.20919       24.12476 23.31339 8.508146 38.03427 6.726106 -14.72088      10.84569 
1 1 1 -20 16 23 o 22.05125 6.865083 25.18850       16.39842 39.29345       23.32645 11.40678       23.05762 27.05217 8.144141 19.55206 7.864935 7.500113       11.32185 
1 1 1 -20 16 24 f 27.28223 6.440643 39.65668       16.92167 14.74378       23.86247 64.85725       23.99984 20.49568 8.080311 34.74847 7.289158 -14.25278      10.88225 
1 1 1 -20 16 25 o 102.5290 3.295670 522.0494       33.03178 451.8263       45.79898 598.1788       47.68614 94.50347 4.968556 109.0994 4.474931 -14.59595      6.686670 
1 1 1 -20 16 26 o 69.34147 3.560664 239.8994       24.08649 236.4755       34.66258 243.0963       33.49433 68.09482 5.240735 69.18055 4.979623 -1.085732      7.229243 
1 1 1 -20 16 27 o 36.21599 5.460688 68.14413       18.75648 55.59020       25.57287 82.76040       27.59358 31.66771 8.189523 39.09570 7.483106 -7.427986      11.09347 
1 1 1 -20 16 28 o 73.18834 3.528319 267.7009       25.20199 226.7701       35.01518 311.6945       36.30161 66.40255 5.434733 78.33818 4.756611 -11.93563      7.222304 
1 1 1 -20 16 29 o 26.59592 7.110038 38.81253       18.86586 9.523337       26.17243 70.49110       27.21905 19.70994 8.203039 35.52885 8.017851 -15.81891      11.47065 
1 1 1 -20 16 30 o 56.76974 4.105436 163.2701       22.65889 188.8089       32.55811 139.2816       31.55446 60.23017 5.586195 51.16168 6.443617 9.068493       8.527941 
1 1 1 -20 16 31 o 48.68129 4.593099 121.6956       21.62767 144.5149       30.08075 97.27568       31.11791 52.26905 5.987403 41.61335 7.929031 10.65570       9.935720 
1 1 1 -20 16 32 o 18.58040 7.195722 14.28723       18.64915 25.29109       24.91257 0.2608153      28.12674 22.55267 8.413381 18.36506 8.080078 4.187616       11.66502 
1 1 1 -20 16 33 o 11.59451 5.549997 -21.77766      17.90945 -33.03181      24.23435 -8.235422      26.58399 12.97447 6.272442 16.62190 7.541218 -3.647435      9.808847 
1 1 1 -20 16 34 o 56.14400 4.878584 163.7708       26.54450 211.2456       34.22493 92.10000       42.05155 63.26122 5.584401 37.72182 10.82446 25.53940       12.18009 
1 1 1 -20 16 35 o 25.00435 8.148732 35.80237       22.89187 53.80040       28.82991 5.093000       37.65878 29.82525 9.070097 21.09093 9.311592 8.734320       12.99894 
1 1 1 -20 16 36 o 32.01228 6.849620 57.52573       20.81426 48.77129       29.16499 66.61304       29.71431 28.38691 9.193774 33.13639 8.951574 -4.749474      12.83184 
1 1 1 -20 16 37 o 18.29881 7.477829 11.51947       21.22551 36.84000       30.90303 -11.09307      29.20380 25.36283 9.387778 16.83249 7.737525 8.530338       12.16551 
1 1 1 -20 16 38 o 18.44966 7.731555 9.840139       23.48888 10.69646       28.40447 7.988000       41.77393 19.73880 8.397965 21.91344 9.734069 -2.174641      12.85605 
1 1 1 -20 16 39 o 14.46690 6.582731 -7.143144      20.43974 -33.07697      30.29432 14.52789       27.69286 14.79037 7.115817 20.20660 8.426066 -5.416224      11.02876 
1 1 1 -20 16 40 o 40.68949 5.887781 90.55594       22.76902 97.51874       34.46265 85.16223       30.33194 39.52832 9.096091 37.41156 8.479570 2.116756       12.43551 
1 1 1 -20 16 41 o 14.31440 6.504891 -6.117665      19.87865 -4.619121      28.00679 -7.639082      28.21972 17.03897 7.734375 16.70287 7.651247 0.3361034      10.87944 
1 1 1 -20 16 42 o 23.25722 8.157039 31.94017       22.95771 49.39000       35.72744 19.66751       29.96232 27.32882 10.09788 21.18323 8.793222 6.145588       13.38984 
1 1 1 -20 16 43 o 12.61638 6.126004 -32.09825      23.77301 -54.37194      28.72623 16.31000       42.34891 12.56851 6.226274 22.43816 9.891736 -9.869643      11.68815 
1 1 1 -20 16 44 o 25.00029 7.981156 38.15622       22.03353 45.04136       31.52846 31.58370       30.80440 26.36687 9.525763 23.45617 9.200919 2.910696       13.24376 
1 1 1 -20 16 45 o 24.32526 8.104949 36.11000       22.60217 59.39835       32.57013 14.47724       31.39107 29.62345 9.723874 20.40167 8.757760 9.221781       13.08633 
1 1 1 -20 16 46 o 17.48251 7.747995 2.603887       26.31548 16.79633       31.67325 -29.03000      47.28685 20.79667 8.858711 18.75757 8.989297 2.039097       12.62079 
1 1 1 -20 16 47 o 16.43817 7.239297 2.402925       22.62844 4.784918       32.13585 0.6036818E-01  31.86871 19.01498 8.486314 18.33915 8.294895 0.6758347      11.86688 
1 1 1 -20 16 48 o 17.46316 7.668976 4.656917       25.22954 18.69000       42.03535 -3.244839      31.54278 22.29702 9.841209 17.82604 8.136711 4.470974       12.76932 
1 1 1 -20 16 49 o 21.67984 8.165995 27.26142       23.58780 48.83104       34.20282 7.698247       32.57319 26.59240 9.870080 19.32488 8.589213 7.267517       13.08408 
1 1 1 -20 16 50 o 15.56238 7.040136 -2.469862      22.96791 12.52478       32.98723 -16.57901      31.99840 19.89954 8.752983 16.23875 7.670345 3.660789       11.63825 
1 1 1 -20 16 51 o 13.51193 6.418666 -17.78728      23.02442 -7.105185      33.23322 -27.64729      31.92883 17.35305 8.073335 15.10280 7.276047 2.250252       10.86828 
1 1 1 -20 17 1  o 79.58140 3.756325 313.2351       29.17787 0.000000       0.000000 313.2351       29.17787 ?        ?        79.58140 3.756325 ?              ?        
1 1 1 -20 17 2  o 88.12330 3.514536 383.4594       30.25471 411.7377       41.72243 352.1000       43.93665 91.00755 4.699584 83.93565 5.376053 7.071907       7.140591 
1 1 1 -20 17 3  o 47.35511 3.443521 111.1029       15.85251 81.85329       27.04848 126.4062       19.56484 39.71556 7.223897 50.42655 3.996451 -10.71099      8.255683 
1 1 1 -20 17 4  o 25.54379 6.936399 33.95517       17.78658 26.33529       24.83467 41.98000       25.48604 24.00417 8.478525 28.44002 8.501554 -4.435854      12.00674 
1 1 1 -20 17 5  o 95.74903 3.007485 451.6267       28.15173 423.1772       43.27133 472.5056       37.06944 92.21172 4.810746 97.72939 3.882843 -5.517662      6.182212 
1 1 1 -20 17 6  o 25.10650 5.523974 32.62432       13.20587 1.393809       23.39769 47.22382       15.99752 17.90777 7.620564 30.31046 5.598225 -12.40269      9.455850 
1 1 1 -20 17 7  o 88.54771 3.019898 386.4283       26.13604 330.5399       39.64869 429.3757       34.75648 81.38238 5.001441 93.15288 3.819932 -11.77050      6.293353 
1 1 1 -20 17 8  o 64.93573 3.117537 208.1656       19.75746 170.4983       31.65459 232.2047       25.28798 58.16118 5.630631 68.45412 3.788836 -10.29294      6.786699 
1 1 1 -20 17 9  o 11.95903 5.296441 -3.823069      12.27640 -17.13596      21.71306 2.432282       14.88370 14.21478 6.583073 14.74394 6.164865 -0.5291567     9.019004 
1 1 1 -20 17 10 o 56.92007 3.265242 160.2642       18.11594 162.2561       30.24483 159.1498       22.62324 56.72581 5.516685 56.54541 4.115614 0.1803970      6.882738 
1 1 1 -20 17 11 o 44.40318 3.685669 98.09180       15.87478 92.05234       26.34582 101.5345       19.89126 42.25801 6.583809 44.98585 4.581164 -2.727844      8.020823 
1 1 1 -20 17 12 o 38.16182 4.245742 73.09445       15.59128 73.25868       25.76223 72.99953       19.58522 37.36372 7.306026 37.84042 5.444183 -0.4767036     9.111375 
1 1 1 -20 17 13 o 65.84996 3.248163 214.5034       20.87167 209.6868       32.48538 217.8894       27.23728 64.57666 5.182810 66.12627 4.230260 -1.549614      6.690039 
1 1 1 -20 17 14 o 50.06250 4.302617 125.4231       20.87961 119.2900       28.17020 132.9000       31.10373 48.28255 6.096293 50.89767 6.383227 -2.615120      8.826686 
1 1 1 -20 17 15 o 99.59165 4.194898 493.8093       40.80157 493.6000       59.08514 494.0000       56.41191 98.61717 6.151595 98.82081 5.858271 -0.2036362     8.494790 
1 1 1 -20 17 16 o 87.98643 3.670698 384.2247       31.54391 408.7943       42.04829 352.6000       47.70490 90.33292 4.772430 83.37392 5.883344 6.959000       7.575608 
1 1 1 -20 17 17 o 17.12208 6.449261 11.39498       14.71260 4.623488       22.70104 16.29921       19.31920 18.12577 7.598636 19.87014 7.409669 -1.744375      10.61332 
1 1 1 -20 17 18 o 71.31138 3.518918 252.5355       24.48673 263.0000       41.84967 247.0879       30.19501 71.80385 6.009470 70.24594 4.413758 1.557907       7.456205 
1 1 1 -20 17 19 o 15.34280 6.428090 2.979412       16.23073 7.001000       25.63387 0.2881632      20.96971 19.47650 8.113030 16.61599 7.145663 2.860504       10.81119 
1 1 1 -20 17 20 o 47.99674 4.136667 115.6441       19.24483 120.6865       29.06686 111.7085       25.67945 48.27259 6.301970 46.63168 5.747461 1.640911       8.529251 
1 1 1 -20 17 21 o 20.73178 7.010262 21.12541       16.90397 51.19860       24.55779 -5.953465      23.30316 30.67286 8.071640 16.33981 7.263543 14.33306       10.85866 
1 1 1 -20 17 22 o 22.33763 6.934577 25.93997       16.74519 3.959532       23.99611 46.80352       23.37850 18.29593 7.748764 29.33446 7.946727 -11.03852      11.09927 
1 1 1 -20 17 23 o 53.39345 3.958811 142.9186       20.54274 107.7723       29.64595 175.3821       28.49203 45.19992 6.920671 58.78166 4.999327 -13.58175      8.537502 
1 1 1 -20 17 24 o 45.62380 4.416830 105.3216       19.47819 91.90816       27.95174 117.9842       27.15805 41.52020 7.134751 47.71135 5.943816 -6.191151      9.286206 
1 1 1 -20 17 25 o 62.22225 4.508981 195.6144       27.27557 261.7000       60.57472 178.8079       30.54760 68.88245 9.215106 59.10458 5.337657 9.777878       10.64935 
1 1 1 -20 17 26 o 71.43171 3.495371 254.6120       24.36519 189.6687       33.78095 325.0323       35.17657 60.61079 5.763248 80.23888 4.496799 -19.62810      7.310009 
1 1 1 -20 17 27 o 74.47803 3.485223 277.1223       25.33721 268.5121       36.33718 285.2700       35.34776 72.43977 5.158447 74.86267 4.849914 -2.422897      7.080342 
1 1 1 -20 17 28 o 72.00433 4.465637 263.0540       31.31883 189.8000       62.85438 287.2484       36.12246 55.43587 11.93677 74.95434 4.951236 -19.51847      12.92290 
1 1 1 -20 17 29 o 51.14305 4.317832 133.1607       21.41343 93.44213       30.22141 173.2056       30.34528 40.99349 7.816925 57.75552 5.431497 -16.76203      9.518690 
1 1 1 -20 17 30 o 44.98705 4.825823 104.5750       20.91855 131.1363       30.06623 79.65424       29.12291 49.53901 6.346037 37.40289 8.182776 12.13612       10.35519 
1 1 1 -20 17 31 o 22.81726 7.439616 28.39162       19.07986 15.87283       26.30404 42.29185       27.71738 20.68063 8.371331 27.09599 8.973735 -6.415361      12.27221 
1 1 1 -20 17 32 f 29.97377 7.057156 50.39390       20.35990 68.00615       28.70661 32.56740       28.88068 34.00001 8.616347 24.65409 9.084294 9.345919       12.52062 
1 1 1 -20 17 33 o 22.87512 8.053641 28.22677       22.39418 26.51097       27.73606 31.44000       37.95624 23.04349 8.813883 25.23725 10.11188 -2.193756      13.41397 
1 1 1 -20 17 34 o 23.75582 8.107230 31.50413       22.61377 35.28671       28.88994 25.52000       36.33731 25.09853 9.111352 23.92461 9.781347 1.173918       13.36755 
1 1 1 -20 17 35 o 38.14088 5.868621 78.52200       21.20824 66.05260       29.77595 91.36169       30.21483 32.96503 8.984326 39.68033 8.054738 -6.715298      12.06635 
1 1 1 -20 17 36 o 18.41267 7.522661 11.70937       21.47483 15.14000       32.11755 8.935553       28.87981 21.32726 8.995212 19.63361 8.413577 1.693649       12.31674 
1 1 1 -20 17 37 o 21.10616 7.732706 23.27650       20.87791 -6.353833      28.94867 55.39353       30.13894 17.31198 7.860293 29.79253 9.311883 -12.48056      12.18587 
1 1 1 -20 17 38 o 18.88932 7.499884 15.08451       20.69196 26.61148       29.25047 3.538006       29.27524 22.80697 8.959970 18.70905 8.236969 4.097918       12.17081 
1 1 1 -20 17 39 o 25.50525 7.769558 38.61095       21.14289 57.72350       30.55358 21.04932       29.28770 30.03487 9.373919 21.58812 8.798323 8.446745       12.85616 
1 1 1 -20 17 40 o 16.15175 6.943014 4.401178       19.78096 -38.27867      28.00088 46.92061       27.94821 13.52325 6.584982 27.23976 9.010633 -13.71651      11.16035 
1 1 1 -20 17 41 o 24.25404 7.642894 35.10629       20.26229 72.51490       28.91044 -1.009776      28.40660 33.99702 8.663840 17.58113 7.902349 16.41589       11.72643 
1 1 1 -20 17 42 o 45.55512 5.287346 111.8243       23.13918 112.0160       32.86511 111.6358       32.58417 43.14550 8.078872 43.13661 8.011978 0.8892059E-02  11.37805 
1 1 1 -20 17 43 o 18.29847 7.623072 11.83173       22.63447 -6.085000      35.96194 23.58559       29.12756 18.61252 8.566872 21.71993 8.802948 -3.107416      12.28345 
1 1 1 -20 17 44 o 34.56783 8.116440 73.44745       26.99043 86.00146       32.59649 46.07000       48.13668 36.46239 9.149173 26.60241 11.10232 9.859983       14.38641 
1 1 1 -20 17 45 o 31.51653 8.592875 63.13511       27.23163 92.78240       33.11475 1.209000       47.85923 38.02042 9.032593 21.34064 9.844270 16.67978       13.36029 
1 1 1 -20 17 46 o 21.35087 8.004033 25.45511       22.60348 10.96222       31.56639 40.70613       32.38149 19.82751 8.645637 25.26365 9.556309 -5.436138      12.88682 
1 1 1 -20 17 47 o 27.62311 8.603868 49.19544       25.75380 38.54000       42.32197 55.46139       32.45440 24.99875 10.41985 28.42201 9.712018 -3.423262      14.24418 
1 1 1 -20 17 48 o 28.49846 8.150802 51.40802       23.88155 34.19650       34.63416 67.00920       32.97417 23.81842 9.618639 31.03903 9.745649 -7.220615      13.69291 
1 1 1 -20 17 49 o 24.54704 8.426955 38.65758       24.44095 57.90215       36.09193 22.35748       33.21630 28.17876 10.19030 21.48176 9.108183 6.696999       13.66753 
1 1 1 -20 17 50 o 38.60704 6.890398 88.52623       25.08321 70.35265       36.36788 105.0150       34.64112 30.48995 10.28255 39.51905 9.137753 -9.029095      13.75607 
1 1 1 -20 17 51 f 28.27667 8.964692 55.75621       27.83852 42.55945       35.83239 75.85000       44.21534 24.54304 9.827908 29.85045 11.19370 -5.307404      14.89586 
1 1 1 -20 18 1  o 57.77497 3.498700 165.3111       19.69303 252.6000       57.82084 153.8569       20.94528 69.63261 8.670627 55.65580 3.868848 13.97681       9.494617 
1 1 1 -20 18 2  o 62.62963 3.320753 193.9443       20.28465 133.5000       38.40157 217.3365       23.88946 50.59251 8.021887 66.23019 3.699763 -15.63768      8.833963 
1 1 1 -20 18 3  o 22.09697 5.879386 25.32115       12.93835 -16.76302      25.05464 40.62510       15.10882 15.62051 7.175416 28.01857 5.703219 -12.39806      9.165877 
1 1 1 -20 18 4  o 40.45070 7.343442 85.34899       28.00526 85.34899       28.00526 0.000000       0.000000 40.45070 7.343442 ?        ?        ?              ?        
1 1 1 -20 18 5  o 97.63055 3.048203 469.9809       29.09400 479.9193       46.33600 463.5125       37.38144 98.10973 4.839972 96.71035 3.957265 1.399384       6.251822 
1 1 1 -20 18 6  o 51.95753 3.407026 133.7670       17.23167 70.65323       28.49530 170.1525       21.63592 36.47450 8.183184 58.54521 3.795992 -22.07071      9.020757 
1 1 1 -20 18 7  o 59.81018 3.201910 176.8651       18.67689 166.6141       30.97785 182.7195       23.41025 57.45324 5.578604 60.63313 3.966255 -3.179890      6.844852 
1 1 1 -20 18 8  o 61.28608 3.172287 185.6768       18.96531 173.3669       31.31757 192.8054       23.83223 58.61729 5.523392 62.29094 3.928723 -3.673653      6.778107 
1 1 1 -20 18 9  o 57.39977 3.257975 163.0661       18.22960 130.9932       29.83978 182.1639       23.02604 50.67342 6.141191 60.53522 3.906881 -9.861801      7.278595 
1 1 1 -20 18 10 o 66.73032 3.117692 220.0809       20.30768 241.5332       33.62857 207.7674       25.47779 69.40182 4.983472 64.61465 4.048675 4.787178       6.420807 
1 1 1 -20 18 11 o 14.92962 5.965464 5.954149       13.17305 -6.425374      23.05024 11.95836       16.05282 16.30574 7.237584 17.76182 6.726253 -1.456087      9.880542 
1 1 1 -20 18 12 o 98.41206 3.412421 479.2989       32.82159 498.9000       59.13014 470.5703       39.45845 99.20879 6.118867 97.25167 4.154690 1.957115       7.396079 
1 1 1 -20 18 13 o 98.24503 3.733057 478.9766       35.83361 431.1022       45.50735 557.1000       58.13268 92.67410 5.035604 105.0385 5.675204 -12.36440      7.587176 
1 1 1 -20 18 14 o 76.49876 3.711764 290.7338       27.71040 272.2039       36.63847 315.5000       42.35757 73.51974 5.123339 79.00490 5.511926 -5.485153      7.525286 
1 1 1 -20 18 15 o 33.05755 5.031701 55.92258       15.76844 67.05599       25.56815 49.08885       20.03153 35.44532 7.597751 30.42790 6.886792 5.017422       10.25445 
1 1 1 -20 18 16 o 14.07074 5.992955 0.7481629      14.49243 13.29332       23.11997 -7.371554      18.60029 20.09788 7.944221 14.26676 6.405025 5.831117       10.20466 
1 1 1 -20 18 17 f 23.36873 6.696971 28.69095       16.10647 23.73000       26.43816 31.61880       20.31063 23.29935 8.672007 24.61445 7.636565 -1.315096      11.55512 
1 1 1 -20 18 18 o 33.05979 5.646373 56.71216       17.61600 90.87000       29.33078 37.43844       22.03237 41.30424 7.532195 26.50732 7.899964 14.79692       10.91528 
1 1 1 -20 18 19 o 36.05550 5.105743 66.65224       17.51576 74.16841       27.12240 61.27479       22.94131 37.11685 7.717324 33.86340 7.146129 3.253448       10.51781 
1 1 1 -20 18 20 o 55.73827 3.796153 155.2874       20.58751 161.3646       31.83575 150.9192       26.99072 56.02315 5.893698 54.48378 5.121100 1.539368       7.807775 
1 1 1 -20 18 21 o 58.05003 3.736542 168.3504       21.11864 192.5705       32.42138 150.5000       27.83339 61.42378 5.448961 54.31014 5.303245 7.113640       7.603656 
1 1 1 -20 18 22 o 22.85473 7.021408 27.40267       17.22014 -11.82984      25.02801 62.67054       23.72973 16.03847 7.292503 34.09259 7.329067 -18.05412      10.33904 
1 1 1 -20 18 23 o 62.86233 3.704563 197.5462       22.69364 165.9591       32.98616 225.9318       31.26987 56.60773 6.046722 66.77120 4.816809 -10.16348      7.730750 
1 1 1 -20 18 24 o 17.41684 6.813799 10.65075       16.85623 18.43402       23.72110 2.711740       23.95726 21.20323 8.140686 17.94255 7.675400 3.260675       11.18850 
1 1 1 -20 18 25 o 33.13363 5.815622 57.74980       18.17364 48.69790       25.54658 67.02451       25.85909 29.58980 8.419494 34.93351 7.763857 -5.343710      11.45274 
1 1 1 -20 18 26 o 44.69487 4.646028 102.0492       20.02945 92.55038       28.72540 111.0373       27.94266 41.27555 7.380915 45.82225 6.404668 -4.546700      9.772291 
1 1 1 -20 18 27 o 51.87580 4.267090 136.5852       21.47582 121.6331       30.77793 150.7726       29.98055 47.66676 6.788174 53.74336 5.790400 -6.076595      8.922334 
1 1 1 -20 18 28 o 21.32903 7.305770 23.42898       18.36728 19.67819       25.44192 27.51164       26.54359 21.52400 8.385386 23.53245 8.702240 -2.008455      12.08485 
1 1 1 -20 18 29 o 43.19603 4.986561 96.87898       20.69733 113.7977       30.25887 82.00350       28.37294 45.68727 6.988057 38.14256 7.861067 7.544712       10.51805 
1 1 1 -20 18 30 o 48.51063 4.565597 121.1693       21.42418 124.3451       31.02159 118.2734       29.62346 47.76154 6.829806 46.66869 6.674783 1.092842       9.549815 
1 1 1 -20 18 31 o 23.00437 7.499116 29.12192       19.38676 45.08307       27.55669 13.48030       27.27946 27.73500 8.932755 20.34467 8.412713 7.390333       12.27061 
1 1 1 -20 18 32 o 27.03778 8.125978 42.43670       23.23699 46.11153       28.60058 35.30000       39.85700 27.86907 9.109985 26.08887 10.39243 1.780201       13.82008 
1 1 1 -20 18 33 o 11.98126 5.741825 -23.22551      19.29213 -29.05449      26.49158 -16.64373      28.15029 14.08871 6.745547 15.95085 7.424130 -1.862134      10.03096 
1 1 1 -20 18 34 o 28.19361 7.355669 45.65384       20.50928 46.07604       28.93536 45.22757       29.07415 27.67796 9.168864 27.45699 9.193275 0.2209663      12.98400 
1 1 1 -20 18 35 o 57.23287 4.796848 170.7285       26.62548 210.8000       43.06982 145.9424       33.87354 61.29352 7.323561 51.25324 6.929351 10.04028       10.08218 
1 1 1 -20 18 36 o 20.22757 8.258851 16.11742       25.86332 -22.83000      56.64045 26.37737       29.07100 21.54712 10.18594 22.84009 8.944510 -1.292974      13.55572 
1 1 1 -20 18 37 o 21.69729 7.663051 25.89264       20.28681 1.045929       28.09622 52.95620       29.32283 18.03421 7.998471 29.05530 9.199229 -11.02109      12.19022 
1 1 1 -20 18 38 o 20.02979 7.597013 20.00072       20.49727 -7.921786      28.88031 48.34175       29.09594 16.95689 7.757329 27.75875 9.194221 -10.80186      12.02954 
1 1 1 -20 18 39 o 44.42518 5.231581 105.8341       22.31365 134.1151       32.55194 80.76670       30.64670 48.44548 7.073167 35.96805 8.782303 12.47742       11.27646 
1 1 1 -20 18 40 o 26.20367 7.568817 41.16687       20.49654 59.92595       30.20226 25.15113       27.90662 30.33292 9.295046 22.00618 8.718628 8.326746       12.74411 
1 1 1 -20 18 41 o 17.80843 7.268064 12.13723       20.01978 22.08482       28.53883 2.499418       28.09097 21.39855 8.698505 17.97238 7.982905 3.426170       11.80639 
1 1 1 -20 18 42 o 21.85709 7.781861 27.34150       20.95728 22.45044       29.93827 32.04120       29.34673 21.63381 8.865467 23.49887 9.046259 -1.865055      12.66615 
1 1 1 -20 18 43 o 17.68970 7.348287 10.84874       20.94544 15.18159       30.38260 6.924505       28.91454 20.35811 8.674266 18.76343 8.225865 1.594677       11.95440 
1 1 1 -20 18 44 o 38.10926 7.714179 87.24580       27.78716 100.5499       33.94649 60.23000       48.37389 39.71346 8.947991 28.58913 11.42884 11.12432       14.51499 
1 1 1 -20 18 45 o 20.88483 8.344938 22.02116       25.77750 19.42751       30.98632 27.85000       46.45206 21.08877 8.861547 23.98000 10.47149 -2.891224      13.71784 
1 1 1 -20 18 46 o 25.55824 8.521848 41.56911       24.98633 4.064000       38.76163 68.23330       32.68293 20.05951 9.102917 31.51876 9.671261 -11.45925      13.28143 
1 1 1 -20 18 47 o 18.93949 7.720766 15.69892       22.55980 36.76508       31.47720 -6.550900      32.34943 24.25620 9.360686 17.57854 8.103314 6.677664       12.38088 
1 1 1 -20 18 48 o 22.15911 8.096374 29.50811       22.86417 43.53706       32.23047 15.29600       32.44019 25.44096 9.553450 20.32549 8.814559 5.115469       12.99865 
1 1 1 -20 18 49 o 40.95054 6.361077 96.71619       24.67036 90.08445       34.90059 103.3392       34.87774 35.77623 9.716943 39.13006 9.252580 -3.353832      13.41750 
1 1 1 -20 18 50 o 25.44504 8.287609 42.68355       23.68054 19.01622       33.49472 66.33569       33.48396 20.67248 8.960895 29.97375 9.860408 -9.301270      13.32386 
1 1 1 -20 19 1  o 67.61343 3.118402 225.8741       20.58260 177.0150       34.83163 252.0885       25.51354 59.01156 6.118882 71.31123 3.667482 -12.29966      7.133802 
1 1 1 -20 19 2  o 50.87170 3.421911 128.3565       16.94016 77.15987       29.49286 153.5630       20.69437 38.09062 8.156222 55.57598 3.827535 -17.48536      9.009661 
1 1 1 -20 19 3  f 58.03687 3.228025 166.6771       18.26555 137.5127       31.53878 181.3960       22.40556 51.85716 6.345459 60.42638 3.807470 -8.569214      7.400113 
1 1 1 -20 19 4  o 49.34515 3.670278 121.0674       17.60064 72.21000       35.56216 136.9177       20.25541 36.42585 9.772367 52.42375 3.977032 -15.99790      10.55064 
1 1 1 -20 19 5  o 32.37937 5.340806 53.75608       16.33741 36.43824       26.29095 64.65000       20.85218 26.75778 8.733624 35.31945 6.260773 -8.561678      10.74586 
1 1 1 -20 19 6  o 36.41183 6.012184 68.37863       20.68078 73.75278       28.16372 62.09000       30.46583 37.23659 7.967833 33.91063 9.021581 3.325966       12.03641 
1 1 1 -20 19 7  o 94.42252 3.071828 440.1989       28.35309 411.5619       44.02311 460.4974       37.06366 90.64906 4.980619 96.30737 3.940040 -5.658302      6.350628 
1 1 1 -20 19 8  o 37.91275 4.094180 72.13786       14.95283 46.64473       26.16981 84.49487       18.21988 29.57703 8.555172 40.93404 4.628407 -11.35700      9.726927 
1 1 1 -20 19 9  o 42.76237 3.889040 91.39832       16.10046 55.34114       27.45857 110.2906       19.87578 32.03843 8.583415 46.88404 4.381803 -14.84562      9.637178 
1 1 1 -20 19 10 o 53.79654 3.441578 143.7249       18.02746 150.8704       30.11122 139.7328       22.50685 54.44211 5.736631 52.80002 4.394669 1.642094       7.226482 
1 1 1 -20 19 11 o 15.50919 6.170807 6.842050       14.03643 4.014377       23.90598 8.329765       17.34011 18.41855 7.764059 17.13493 6.845065 1.283617       10.35063 
1 1 1 -20 19 12 o 24.40998 6.637984 31.39415       16.27539 27.90596       24.75464 34.05000       21.60023 24.11924 8.469415 25.52727 7.867704 -1.408035      11.55992 
1 1 1 -20 19 13 o 65.79285 3.843940 215.6141       24.64709 213.0754       34.07402 218.4000       35.69496 64.85126 5.417273 65.58008 5.614661 -0.7288132     7.802004 
1 1 1 -20 19 14 o 22.20183 6.487327 25.69884       14.97944 4.678789       24.60401 38.07911       18.88227 18.72622 7.884208 26.74175 7.096860 -8.015530      10.60783 
1 1 1 -20 19 15 o 30.01243 5.597817 46.85006       15.83994 61.55781       26.12907 38.30439       19.91700 33.72805 8.030486 26.78665 7.367173 6.941401       10.89789 
1 1 1 -20 19 16 o 12.87307 5.799579 -6.819046      15.40067 44.75000       26.56680 -32.91979      18.90040 28.80009 8.696052 11.05162 5.387815 17.74847       10.22985 
1 1 1 -20 19 17 o 46.10062 4.285650 107.0161       19.11734 113.2000       32.17619 103.6421       23.76722 46.23985 7.355148 44.95364 5.516950 1.286205       9.194288 
1 1 1 -20 19 18 o 11.73632 5.456254 -12.54821      15.13664 -9.728399      23.76378 -14.47334      19.63517 15.91055 7.182809 13.54804 6.269347 2.362506       9.534016 
1 1 1 -20 19 19 o 38.70475 4.818048 76.41335       17.85924 93.49141       27.53587 64.01308       23.46362 42.04989 6.931315 34.55669 7.171868 7.493195       9.973907 
1 1 1 -20 19 20 o 23.83776 6.849814 30.20376       16.82832 29.94777       25.66569 30.39680       22.28786 24.54515 8.623472 24.26800 8.047296 0.2771530      11.79505 
1 1 1 -20 19 21 o 83.44568 3.382721 346.3736       27.57243 326.5769       41.26054 362.3472       37.06295 80.09271 5.292697 84.84153 4.478849 -4.748817      6.933450 
1 1 1 -20 19 22 o 15.72023 6.591181 3.603895       17.08444 16.62038       24.80507 -8.143394      23.56472 21.04250 8.255780 15.99263 7.192132 5.049866       10.94919 
1 1 1 -20 19 23 o 31.18346 6.179235 51.65904       18.19407 55.48208       26.44685 48.22398       25.06899 31.55816 8.409942 29.49880 8.322470 2.059364       11.83176 
1 1 1 -20 19 24 o 28.84186 6.523253 44.81184       17.98318 46.01234       25.69379 43.65904       25.17815 28.75217 8.521838 28.07390 8.463317 0.6782665      12.01039 
1 1 1 -20 19 25 o 40.71390 5.076688 85.63200       19.79320 59.23447       28.92345 108.8827       27.14477 32.20849 8.885688 45.39604 6.276646 -13.18755      10.87896 
1 1 1 -20 19 26 o 54.44254 4.232104 150.3799       22.37580 140.1334       32.69661 159.4057       30.68723 51.23475 6.678577 55.25601 5.758155 -4.021263      8.818149 
1 1 1 -20 19 27 o 35.93127 5.874514 68.63618       19.94769 86.65811       28.48491 51.29287       27.94346 39.48166 7.647067 29.78359 8.901711 9.698071       11.73534 
1 1 1 -20 19 28 o 56.82092 4.106931 164.1597       22.68774 104.9045       31.44233 228.5224       32.76942 43.33830 7.693822 66.45840 5.075879 -23.12009      9.217345 
1 1 1 -20 19 29 o 16.61206 6.895284 6.698876       18.42235 47.29027       26.13903 -33.36336      25.96809 28.45911 8.632711 13.58113 6.547688 14.87799       10.83494 
1 1 1 -20 19 30 o 31.80858 6.480463 55.65756       19.49118 42.39352       27.43167 69.18203       27.69966 26.99459 8.926877 34.45457 8.310246 -7.459982      12.19628 
1 1 1 -20 19 31 o 15.67108 6.920735 -1.634177      20.81715 -16.36294      25.27497 29.43000       36.70602 15.07222 7.021756 24.70386 9.928170 -9.631642      12.16033 
1 1 1 -20 19 32 o 13.66519 6.265262 -9.463000      18.97806 -1.193400      25.70545 -19.37119      28.13715 17.26803 7.655056 15.62899 7.322736 1.639039       10.59350 
1 1 1 -20 19 33 o 28.62282 7.239089 46.89497       20.29179 45.30598       28.41404 48.54884       28.98844 27.47405 9.085309 28.30024 9.165923 -0.8261967     12.90570 
1 1 1 -20 19 34 o 31.27450 8.743272 59.38634       27.80103 90.13000       36.16121 14.95000       43.47448 37.87807 9.709071 23.17733 10.12547 14.70074       14.02822 
1 1 1 -20 19 35 o 40.54521 7.251017 93.54063       27.72050 7.841000       59.01296 117.8042       31.40041 24.35014 11.12028 45.56416 7.285873 -21.21401      13.29453 
1 1 1 -20 19 36 o 30.70957 7.119632 54.38451       20.98364 93.08795       30.09277 17.75644       29.27483 39.71714 8.017281 21.05878 8.712134 18.65837       11.83968 
1 1 1 -20 19 37 o 14.36869 6.484014 -5.010400      19.34126 -1.506602      27.00407 -8.701152      27.71515 17.32345 7.751934 16.53895 7.578543 0.7844925      10.84098 
1 1 1 -20 19 38 o 25.32249 7.464380 38.00801       19.75711 37.99569       27.91405 38.02037       27.96758 25.01241 8.972449 25.01889 8.980289 -0.6479263E-02 12.69450 
1 1 1 -20 19 39 o 18.41060 7.268716 15.09270       19.33459 10.60293       27.19525 19.68154       27.49368 19.11577 8.177475 20.84269 8.513216 -1.726925      11.80449 
1 1 1 -20 19 40 f 31.08570 6.952365 56.38742       20.62348 56.50753       29.55882 56.27349       28.78844 29.38544 9.227242 29.43347 9.084964 -0.4802132E-01 12.94908 
1 1 1 -20 19 41 o 15.96363 6.895397 3.915936       19.69364 -21.25882      27.88795 28.95777       27.81423 14.97375 7.098843 22.73061 8.791893 -7.756856      11.30004 
1 1 1 -20 19 42 o 12.71200 6.024939 -17.59799      20.06214 -6.861323      28.76070 -27.77344      27.99893 16.79473 7.704826 14.32853 6.879972 2.466205       10.32949 
1 1 1 -20 19 43 o 19.61021 8.027509 16.81903       24.51290 15.81538       29.77529 18.93000       43.18236 20.29546 8.615107 22.57003 9.967580 -2.274574      13.17470 
1 1 1 -20 19 44 o 25.92503 7.958285 41.59478       22.12766 44.76021       30.86810 38.24875       31.73643 26.14907 9.428339 24.70968 9.433767 1.439390       13.33752 
1 1 1 -20 19 45 o 24.13866 8.413884 36.24525       24.40345 61.96000       38.42861 18.86741       31.59085 29.23041 10.52232 20.97092 8.886668 8.259483       13.77288 
1 1 1 -20 19 46 o 24.79445 8.747850 39.15149       26.43172 56.69181       31.39659 -3.530000      48.97602 28.77642 9.551476 20.82495 9.725858 7.951466       13.63169 
1 1 1 -20 19 47 o 25.14792 8.217557 40.26393       23.27250 29.83115       32.75027 50.90575       33.07674 22.77907 9.296273 27.02484 9.757739 -4.245771      13.47717 
1 1 1 -20 19 48 o 19.40632 7.823687 18.62754       22.87142 78.03334       32.51199 -39.57377      32.18071 33.50357 9.486511 14.31718 6.990851 19.18639       11.78414 
1 1 1 -20 19 49 o 38.03924 6.870116 86.36440       24.63894 89.50803       34.80765 83.20733       34.88192 35.30844 9.750380 33.70280 9.913817 1.605648       13.90517 
1 1 1 -20 20 1  o 62.32210 3.540784 192.8021       21.51084 249.8000       60.99537 184.7063       22.98780 68.35252 9.362446 60.91020 3.875786 7.442322       10.13297 
1 1 1 -20 20 2  o 39.91058 3.956506 79.78021       15.25308 58.58106       29.34935 87.62482       17.85356 32.88298 8.902120 41.72638 4.439342 -8.843399      9.947638 
1 1 1 -20 20 3  o 79.26747 3.070044 310.5634       23.77519 274.8718       39.18631 331.3558       29.90912 73.77585 5.465235 81.68684 3.750645 -7.910988      6.628434 
1 1 1 -20 20 4  o 34.60691 4.397873 60.53980       14.56143 17.85764       27.10154 77.86201       17.26523 22.20528 8.653490 39.26589 4.577886 -17.06061      9.789787 
1 1 1 -20 20 5  o 68.76678 3.167536 234.0413       21.26368 209.5812       36.14039 246.9918       26.29701 64.21678 5.812484 70.46995 3.826738 -6.253166      6.959087 
1 1 1 -20 20 6  o 37.81586 6.524595 74.56065       23.27856 37.02000       33.88851 108.1000       32.03162 27.65021 9.889945 45.33170 7.479519 -17.68148      12.39977 
1 1 1 -20 20 7  o 79.36008 3.740153 312.9488       28.97170 250.9673       38.36494 395.2000       44.19520 70.37023 5.616374 88.64068 5.115457 -18.27045      7.596812 
1 1 1 -20 20 8  o 75.79991 3.132863 284.3000       23.19419 247.8547       37.20383 307.4713       29.66485 69.97547 5.475264 78.61228 3.867055 -8.636810      6.703181 
1 1 1 -20 20 9  o 40.48893 4.060578 82.28573       15.87578 63.80556       27.69183 91.33347       19.37621 34.33336 8.326710 42.49455 4.738870 -8.161190      9.580761 
1 1 1 -20 20 10 o 33.25829 5.502893 57.09009       17.28827 65.30202       26.73726 51.19000       22.66332 34.80712 8.013589 30.89612 7.557399 3.911003       11.01507 
1 1 1 -20 20 11 o 18.20347 6.735021 13.80680       15.90278 -1.811017      24.76226 24.77000       20.74669 17.60639 7.667549 22.56176 7.763334 -4.955372      10.91149 
1 1 1 -20 20 12 o 45.87492 4.506447 106.1111       19.97471 126.6622       30.16346 90.06000       26.65734 49.48435 6.375385 41.44687 6.806901 8.037479       9.326277 
1 1 1 -20 20 13 o 64.62399 3.322743 207.3431       20.94769 200.7241       34.37774 211.2521       26.41875 62.74257 5.658430 64.96644 4.176610 -2.223873      7.032916 
1 1 1 -20 20 14 f 67.91242 3.372493 229.1096       22.34836 217.9960       36.34883 235.8639       28.33714 65.33188 5.742434 68.61745 4.239763 -3.285568      7.138006 
1 1 1 -20 20 15 o 50.36374 3.988953 127.1367       19.50402 160.2000       35.55514 112.9049       23.32701 55.48055 6.681540 47.07051 5.146738 8.410034       8.433972 
1 1 1 -20 20 16 o 23.50795 6.683325 29.26601       16.10380 1.881000       27.10545 44.20549       20.02017 18.90712 8.127430 28.66174 7.157942 -9.754618      10.83011 
1 1 1 -20 20 17 o 12.48921 5.676293 -8.076975      15.14370 -19.11719      24.16510 -0.9373188     19.43294 14.76369 6.873936 15.72167 6.820117 -0.9579849     9.683233 
1 1 1 -20 20 18 o 46.23310 4.257708 107.7987       19.05167 82.35502       29.83661 125.3143       24.75547 38.86863 8.105174 49.54115 5.181581 -10.67252      9.619908 
1 1 1 -20 20 19 o 22.32879 7.124918 25.85640       17.56114 46.20975       27.24153 11.38386       22.97132 29.01433 8.815316 19.44745 7.840583 9.566881       11.79765 
1 1 1 -20 20 20 o 89.13281 3.350559 395.2530       29.18013 409.4866       44.82650 384.7864       38.43970 89.76110 5.123278 87.36889 4.510134 2.392212       6.825634 
1 1 1 -20 20 21 o 78.20038 3.425788 304.7633       26.15896 287.0602       39.54483 318.5371       34.88123 74.88112 5.432181 79.43751 4.504466 -4.556389      7.056827 
1 1 1 -20 20 22 o 24.07953 7.066854 31.16810       17.74165 12.82411       26.12993 46.85821       24.16597 20.48371 8.324532 29.08148 8.159419 -8.597773      11.65650 
1 1 1 -20 20 23 o 18.40974 7.044836 13.61778       17.72502 22.24027       26.06821 6.203537       24.17288 22.43499 8.553653 18.56278 7.815078 3.872202       11.58622 
1 1 1 -20 20 24 o 42.60566 4.820569 93.31042       19.75076 83.73374       28.70712 101.9181       27.21608 38.89245 7.812312 43.70954 6.563846 -4.817085      10.20374 
1 1 1 -20 20 25 o 26.59188 6.995213 38.98462       18.44880 16.95408       26.28506 60.37488       25.90028 21.12866 8.431929 32.64429 8.135241 -11.51563      11.71664 
1 1 1 -20 20 26 o 117.9728 4.165543 704.6359       48.02613 629.8000       92.25247 732.4581       56.24960 105.2605 9.041286 119.6171 4.814022 -14.35661      10.24303 
1 1 1 -20 20 27 o 43.73869 5.019789 99.60092       21.10199 65.67580       29.85279 133.4803       29.83267 33.32426 8.959480 49.94932 6.237340 -16.62506      10.91681 
1 1 1 -20 20 28 o 15.84738 6.755293 3.267546       18.44101 33.64547       25.83555 -28.28559      26.33055 24.68882 8.653657 14.18328 6.772902 10.50554       10.98899 
1 1 1 -20 20 29 o 23.98420 7.409795 32.25209       19.14547 32.71396       26.88751 31.77706       27.26808 24.45858 8.801941 24.26071 8.845259 0.1978664      12.47849 
1 1 1 -20 20 30 o 31.70191 7.516037 57.58442       22.96587 53.11916       29.07664 64.99000       37.44552 29.63528 9.127345 31.94666 10.42268 -2.311382      13.85427 
1 1 1 -20 20 31 o 16.42813 6.933646 5.418572       19.10397 7.366313       26.70500 3.377047       27.34038 18.93533 8.101933 18.43006 8.041037 0.5052624      11.41488 
1 1 1 -20 20 32 o 60.60750 4.516740 189.8680       26.60258 227.1000       42.74033 166.3218       33.98907 64.13053 6.918081 55.26367 6.401645 8.866859       9.425545 
1 1 1 -20 20 33 o 32.07673 8.405220 61.67686       26.70329 71.48000       34.02272 45.95000       43.09308 33.54991 9.769490 27.70210 10.87769 5.847803       14.62077 
1 1 1 -20 20 34 o 23.77744 8.598018 31.97970       25.69347 -17.43000      56.55816 44.82816       28.84130 21.88681 10.29486 27.07827 9.156874 -5.191467      13.77797 
1 1 1 -20 20 35 o 19.75505 7.400667 19.50288       19.31712 34.06892       27.20246 4.685560       27.43609 24.27124 8.836800 18.41491 8.044355 5.856337       11.94992 
1 1 1 -20 20 36 o 26.53825 7.327940 41.26067       19.66138 42.45121       27.67720 40.04781       27.93539 26.31075 8.969278 25.69645 8.999080 0.6142998      12.70557 
1 1 1 -20 20 37 o 31.99716 6.609191 58.32011       20.01430 81.68056       28.19715 34.60051       28.41308 36.85399 8.042982 24.21136 8.994164 12.64263       12.06584 
1 1 1 -20 20 38 o 26.06695 7.330187 40.40446       19.48053 48.29892       27.23847 32.13867       27.87171 27.56356 8.881346 23.50373 8.871425 4.059837       12.55311 
1 1 1 -20 20 39 o 13.62161 6.237532 -7.427552      18.73228 -16.45957      26.14344 2.101920       26.85374 14.94089 7.018798 17.57627 7.806148 -2.635380      10.49759 
1 1 1 -20 20 40 o 24.35479 7.587492 35.56610       20.02743 22.86858       28.55737 47.85527       28.09441 21.52733 8.719461 27.27610 9.034605 -5.748774      12.55600 
1 1 1 -20 20 41 o 19.20563 7.527339 17.84761       20.60286 22.25406       29.99001 13.90920       28.35257 21.48149 8.845598 19.74580 8.395228 1.735695       12.19526 
1 1 1 -20 20 42 o 15.51120 7.090342 -6.401425      24.06462 7.514750       29.80950 -32.44000      40.77588 18.96173 8.331266 17.15913 8.255477 1.802595       11.72872 
1 1 1 -20 20 43 f 21.44498 7.861552 26.22602       21.58450 7.932559       30.40384 44.81423       30.64779 19.12224 8.407439 26.14469 9.398730 -7.022455      12.61036 
1 1 1 -20 20 44 o 33.53133 7.801367 68.78493       25.12164 98.31000       40.01525 49.57793       32.27454 37.10435 10.53061 27.08953 9.655770 10.01482       14.28732 
1 1 1 -20 20 45 o 22.50421 7.978030 30.43779       22.00591 23.10384       30.53234 38.36598       31.74519 21.49520 8.895412 24.53068 9.417634 -3.035484      12.95454 
1 1 1 -20 20 46 o 24.28008 8.141761 37.04683       22.80266 22.21052       32.03865 52.27704       32.46117 21.41902 9.006173 27.42775 9.692830 -6.008726      13.23110 
1 1 1 -20 20 47 o 21.78081 8.577274 27.55245       26.86103 27.74529       32.07873 27.10000       49.13556 22.19811 9.145365 23.39994 10.46490 -1.201830      13.89791 
1 1 1 -20 20 48 o 26.11445 8.173446 44.68514       23.21185 50.55854       33.15257 39.03725       32.50990 26.42394 9.733581 24.07199 9.449288 2.351948       13.56583 
1 1 1 -20 20 49 o 18.12185 7.613502 13.71559       22.86656 -6.293287      31.74191 35.30193       32.96941 16.98405 7.897747 23.14157 9.370461 -6.157526      12.25479 
1 1 1 -20 21 1  o 55.70045 3.391216 154.1017       18.40168 112.0912       33.79273 171.8102       21.93990 45.98666 7.784796 58.70708 3.839080 -12.72042      8.679953 
1 1 1 -20 21 2  o 57.32136 3.302579 163.0511       18.45158 142.4332       33.77403 171.8232       22.02980 52.42119 6.737805 58.70403 3.855196 -6.282841      7.762768 
1 1 1 -20 21 3  o 48.24969 3.608499 116.0174       16.91883 73.12932       31.99912 132.6591       19.93284 36.54404 9.004891 51.51480 3.983976 -14.97076      9.846833 
1 1 1 -20 21 4  o 25.19823 7.388448 33.48867       19.40071 25.75479       28.67186 40.02000       26.34862 24.22465 9.028088 27.55672 8.719652 -3.332066      12.55144 
1 1 1 -20 21 5  o 76.41326 3.163549 289.1168       23.61072 252.4167       39.34040 309.7783       29.51797 70.44310 5.755635 78.88964 3.834094 -8.446541      6.915751 
1 1 1 -20 21 6  o 54.44645 3.506412 147.4796       18.58761 123.1251       32.81061 158.9900       22.55631 48.48849 7.125412 56.37034 4.116378 -7.881847      8.228977 
1 1 1 -20 21 7  o 14.75005 6.022414 4.677497       13.75269 7.518000       29.53572 3.891161       15.54011 20.70370 8.672546 15.28512 6.337713 5.418580       10.74149 
1 1 1 -20 21 8  o 23.26478 6.366714 28.51127       14.91730 57.17685       27.65087 16.74317       17.71665 32.36943 8.586954 19.55448 7.129694 12.81495       11.16102 
1 1 1 -20 21 9  o 40.47175 4.863922 83.26048       18.88268 75.14120       29.10787 89.16000       24.81192 37.23578 8.207694 41.39911 6.323227 -4.163330      10.36096 
1 1 1 -20 21 10 o 16.44551 7.436244 -10.89182      25.59050 -10.89182      25.59050 0.000000       0.000000 16.44551 7.436244 ?        ?        ?              ?        
1 1 1 -20 21 11 o 77.87328 3.239507 300.7770       24.63906 289.9387       39.93815 307.4369       31.30688 75.55342 5.436774 78.42511 4.092453 -2.871689      6.804901 
1 1 1 -20 21 12 o 82.72668 3.185245 339.3157       25.74438 317.1902       41.13771 353.5591       33.00664 79.05731 5.347551 84.12907 4.019826 -5.071754      6.689941 
1 1 1 -20 21 13 o 59.24226 3.621162 175.0210       20.89807 185.6000       39.35242 170.8657       24.66311 59.63120 6.867303 58.29180 4.353943 1.339397       8.131216 
1 1 1 -20 21 14 o 19.23761 6.728679 17.46896       15.61469 34.19000       29.37458 10.88319       18.43501 26.10313 9.220881 18.03930 7.105170 8.063839       11.64079 
1 1 1 -20 21 15 o 41.18822 4.415110 85.90948       17.52258 122.3071       30.03299 67.12513       21.57547 48.38523 6.506044 35.67604 6.414203 12.70918       9.136226 
1 1 1 -20 21 16 o 44.78190 4.304313 101.2828       18.63533 71.76976       30.22719 119.3778       23.66848 35.97884 8.683153 48.37370 5.074104 -12.39487      10.05702 
1 1 1 -20 21 17 o 27.08814 6.598164 39.35112       17.33042 57.47039       28.10975 28.24080       22.01152 32.14162 8.716620 23.55952 7.999266 8.582102       11.83080 
1 1 1 -20 21 18 o 28.92147 6.446961 44.75932       17.78464 34.04716       28.03699 51.97160       23.00537 25.75801 9.015807 30.80937 7.660886 -5.051361      11.83106 
1 1 1 -20 21 19 o 78.96819 3.414125 310.7381       26.32755 300.1254       40.46704 318.5269       34.66765 76.56942 5.434650 79.44942 4.475972 -2.879997      7.040579 
1 1 1 -20 21 20 o 15.20054 6.468287 1.846616       16.85586 -4.559142      25.90280 6.551473       22.19906 17.31664 7.680080 18.09413 7.544564 -0.7774944     10.76587 
1 1 1 -20 21 21 o 18.07429 6.932100 12.89850       17.18826 34.52975       26.65250 -2.503646      22.48991 25.57023 8.799169 16.43825 7.229023 9.131983       11.38789 
1 1 1 -20 21 22 o 53.63527 4.173729 145.6291       21.73957 143.8365       33.14049 146.9832       28.80268 52.01373 6.662062 53.18622 5.617343 -1.172489      8.714219 
1 1 1 -20 21 23 o 29.28918 6.727528 46.86601       18.88049 43.23772       27.99499 49.89328       25.57140 27.72146 9.009727 29.63729 8.420451 -1.915827      12.33204 
1 1 1 -20 21 24 o 56.97766 4.011594 164.4064       22.23019 161.0600       32.56878 167.3254       30.41780 55.18790 6.132513 56.62979 5.559088 -1.441891      8.277148 
1 1 1 -20 21 25 o 38.58699 5.451469 78.42065       20.01733 102.8814       29.40747 57.30204       27.32469 43.25311 7.198912 31.37540 8.629081 11.87771       11.23768 
1 1 1 -20 21 26 o 48.87731 4.508385 122.9082       21.32631 75.54529       30.45621 168.4721       29.87218 35.83342 8.758343 56.67841 5.451635 -20.84499      10.31644 
1 1 1 -20 21 27 o 40.00041 5.425018 84.56902       20.69387 61.99920       29.32559 106.9549       29.20587 32.23280 8.968257 44.05435 7.007356 -11.82155      11.38124 
1 1 1 -20 21 28 f 18.90275 7.351846 15.12711       19.53089 -13.27652      26.42471 49.32658       28.99566 15.84809 7.312120 28.70770 9.154681 -12.85962      11.71645 
1 1 1 -20 21 29 o 33.50551 7.274806 63.70407       23.17323 45.52841       28.28618 100.8000       40.41033 27.61898 9.061626 39.85509 10.28856 -12.23612      13.71012 
1 1 1 -20 21 30 o 35.59470 5.983447 68.83723       20.10813 48.63868       28.41262 89.10580       28.46183 28.36030 9.064158 39.46180 7.644676 -11.10151      11.85749 
1 1 1 -20 21 31 o 27.39740 7.670512 43.69732       21.38087 6.997000       32.37836 72.07476       28.47126 20.11567 8.763943 34.76417 8.450461 -14.64850      12.17444 
1 1 1 -20 21 32 o 14.69614 6.645999 -6.023386      20.44760 3.892000       30.11304 -14.50658      27.85349 19.07393 8.377297 15.99629 7.424671 3.077640       11.19396 
1 1 1 -20 21 33 f 29.21641 7.194715 49.32900       20.43683 38.16467       28.61115 60.95919       29.20200 25.39854 9.086993 31.30126 9.032187 -5.902723      12.81225 
1 1 1 -20 21 34 o 50.22395 4.519925 131.5570       21.98276 113.7892       30.82284 149.9504       31.36077 44.58002 7.317245 52.24253 6.257083 -7.662514      9.627728 
1 1 1 -20 21 35 o 33.90069 6.321689 64.20942       20.20573 92.94519       29.63288 39.23900       27.62329 39.66514 7.909935 25.46719 8.946387 14.19795       11.94173 
1 1 1 -20 21 36 o 21.17866 7.412805 25.06671       18.95336 23.73204       27.13522 26.33815       26.48480 21.68020 8.594793 22.17366 8.578468 -0.4934559     12.14334 
1 1 1 -20 21 37 o 34.43436 6.211984 66.58766       20.16749 97.28412       28.86102 37.29579       28.19299 40.63829 7.532863 24.69016 8.995206 15.94813       11.73276 
1 1 1 -20 21 38 o 21.26910 7.483262 25.75070       19.33217 24.98120       27.04482 26.55472       27.64467 21.74043 8.592541 22.13537 8.706187 -0.3949356     12.23231 
1 1 1 -20 21 39 o 19.37768 7.364946 19.08813       19.28846 29.12138       27.09459 8.778537       27.46519 22.67038 8.701249 18.77458 8.126341 3.895796       11.90584 
1 1 1 -20 21 40 o 17.86295 7.242236 13.02736       19.72265 -3.435876      28.80191 27.56299       27.06329 17.21336 7.825264 22.21972 8.650714 -5.006355      11.66489 
1 1 1 -20 21 41 o 34.70219 7.513093 72.24620       24.77917 62.16221       30.39729 92.22000       42.78082 30.50886 9.320436 35.14227 11.10963 -4.633410      14.50153 
1 1 1 -20 21 42 o 26.83786 7.695894 44.21318       21.26340 49.75548       29.95299 38.58268       30.19040 27.35505 9.330636 24.71994 9.253748 2.635107       13.14126 
1 1 1 -20 21 43 o 29.56906 8.059351 54.67269       23.95945 89.66000       37.00806 29.42615       31.43706 35.86062 10.10999 22.84594 9.185745 13.01468       13.65979 
1 1 1 -20 21 44 o 16.12721 7.028965 3.890312       20.84463 -9.912229      28.22557 20.44869       30.91521 16.13528 7.483984 21.05632 8.849852 -4.921040      11.59008 
1 1 1 -20 21 45 o 20.97878 7.804958 25.07509       21.41137 33.76160       29.07353 14.78022       31.65087 23.43402 9.008521 20.20291 8.734081 3.231112       12.54741 
1 1 1 -20 21 46 o 22.25590 7.951735 30.24232       21.90109 46.30036       29.83876 11.48779       32.24686 26.04686 9.284245 19.63792 8.645455 6.408934       12.68626 
1 1 1 -20 21 47 o 26.76989 8.076219 46.59539       22.92146 92.56601       31.81329 -3.030774      33.05398 37.28183 8.850815 17.76600 8.190217 19.51583       12.05888 
1 1 1 -20 21 48 o 15.40077 7.143583 -8.044167      25.72025 -9.209023      29.77542 -4.620000      51.05041 16.27788 7.596027 20.26713 9.607253 -3.989243      12.24741 
1 1 1 -20 22 1  o 36.12855 4.377997 66.09802       15.16669 51.42113       31.02761 70.70587       17.38524 30.70362 9.423541 37.23621 4.887799 -6.532587      10.61573 
1 1 1 -20 22 2  o 48.80729 3.607624 118.8543       17.11321 83.73766       32.23535 132.6355       20.19388 39.14330 8.644535 51.45222 4.042111 -12.30893      9.542885 
1 1 1 -20 22 3  o 47.85485 3.717108 114.4281       17.27510 97.98734       32.80031 120.7392       20.32205 42.63462 8.156850 49.00434 4.279586 -6.369728      9.211355 
1 1 1 -20 22 4  o 82.86097 3.175424 340.2502       25.70712 333.2024       43.51654 344.0281       31.86072 80.99025 5.522316 83.04778 3.930570 -2.057526      6.778301 
1 1 1 -20 22 5  o 40.45606 4.210237 82.50544       16.42872 43.07547       31.08173 97.79228       19.35311 28.54942 9.504265 43.97484 4.562364 -15.42543      10.54259 
1 1 1 -20 22 6  o 62.07511 3.383845 191.5584       20.48277 177.6436       36.27267 198.0727       24.81846 58.59936 6.429286 62.91576 4.051577 -4.316402      7.599407 
1 1 1 -20 22 7  o 66.91275 3.893689 223.6219       25.39195 218.1785       37.34912 228.3000       34.62471 65.24611 5.912275 67.03609 5.320417 -1.789978      7.953731 
1 1 1 -20 22 8  o 53.54205 4.294412 144.1463       22.31777 136.5416       33.22314 150.4000       30.12761 51.09253 6.812837 54.13138 5.775124 -3.038849      8.931227 
1 1 1 -20 22 9  o 15.65444 6.536983 3.680715       16.70201 3.119000       29.68110 3.941000       20.20443 19.88957 8.526505 17.01810 7.153613 2.871477       11.12994 
1 1 1 -20 22 10 o 16.89786 6.647355 9.380664       16.11831 11.91526       26.54289 7.900000       20.28719 20.59293 8.382195 17.90455 7.312971 2.688385       11.12388 
1 1 1 -20 22 11 o 23.46802 6.475107 29.23906       15.35797 3.823929       26.90208 41.52673       18.70572 19.15392 8.161782 27.80684 6.904335 -8.652920      10.69039 
1 1 1 -20 22 12 o 38.48470 4.742595 75.51997       17.48783 29.52000       33.09103 93.34567       20.59941 25.53830 9.660385 42.74665 5.018666 -17.20835      10.88623 
1 1 1 -20 22 13 o 20.55914 6.692483 21.43133       15.44327 -5.005000      30.58575 30.47722       17.89139 18.84974 8.353520 23.95451 7.114012 -5.104778      10.97226 
1 1 1 -20 22 14 o 14.21706 6.048471 1.226555       14.73329 26.04812       26.53995 -9.830331      17.71340 23.65247 8.709565 13.37742 6.102815 10.27505       10.63489 
1 1 1 -20 22 15 o 36.98006 4.958129 70.21661       17.49519 33.22464       28.42628 92.77278       22.19724 25.62173 9.068975 42.39040 5.477571 -16.76867      10.59482 
1 1 1 -20 22 16 o 32.49486 5.772460 55.44849       17.68775 87.21149       29.35343 37.34017       22.16344 40.02654 7.772389 26.24408 7.946716 13.78246       11.11577 
1 1 1 -20 22 17 o 22.89439 7.026426 27.77896       17.25023 66.95036       28.50842 5.152445       21.66693 34.62921 8.479510 17.64960 7.412849 16.97961       11.26288 
1 1 1 -20 22 18 o 52.26597 4.117021 137.7895       20.89248 101.1707       32.38180 163.9034       27.34544 42.97910 7.991343 56.65564 4.981682 -13.67654      9.416938 
1 1 1 -20 22 19 o 57.46675 3.957796 166.2555       22.12666 110.4528       33.61722 208.9084       29.39060 44.88206 7.942719 64.08587 4.718411 -19.20380      9.238517 
1 1 1 -20 22 20 o 34.49227 5.790166 62.81255       18.85673 94.13665       29.59601 41.40743       24.46542 41.45700 7.572328 27.27614 8.367212 14.18085       11.28496 
1 1 1 -20 22 21 o 57.41951 3.944296 166.4322       22.03378 160.5132       34.11021 170.6705       28.86373 55.01749 6.456717 57.52594 5.181520 -2.508453      8.278729 
1 1 1 -20 22 22 o 27.01550 6.897326 40.26220       18.29953 41.89048       27.76645 39.01189       24.33131 27.25266 8.979852 26.39609 8.382492 0.8565769      12.28430 
1 1 1 -20 22 23 o 22.16862 7.279046 26.29613       18.25056 25.65987       26.35635 26.88226       25.29664 22.95844 8.635309 23.10770 8.504116 -0.1492596     12.11976 
1 1 1 -20 22 24 o 16.74460 6.887612 7.553076       18.15706 -8.881063      26.35163 22.40787       25.05344 16.49939 7.494531 21.87869 8.374708 -5.379299      11.23849 
1 1 1 -20 22 25 o 37.47686 5.695798 74.92551       20.23731 79.70456       29.46122 70.65591       27.84673 37.06469 8.324562 34.86899 8.282445 2.195705       11.74296 
1 1 1 -20 22 26 o 14.74735 6.501682 -1.796198      18.29831 -4.300371      25.80133 0.7378514      25.95479 16.89367 7.567155 17.71886 7.779935 -0.8251953     10.85308 
1 1 1 -20 22 27 o 37.30638 6.796285 77.16277       23.90359 53.54881       29.02859 126.9000       42.12912 29.76552 9.111039 45.54305 9.744990 -15.77753      13.34076 
1 1 1 -20 22 28 o 25.54730 8.084710 37.76939       22.65050 24.77661       27.24745 66.83000       40.74998 22.47678 8.699650 32.00772 10.88378 -9.530937      13.93344 
1 1 1 -20 22 29 o 40.33516 5.511659 86.93953       21.19205 57.07015       29.50903 118.7514       30.45346 30.46358 9.157579 46.17811 6.952906 -15.71453      11.49801 
1 1 1 -20 22 30 o 22.97605 8.525263 28.30338       25.51382 56.70000       32.53922 -17.02000      41.10881 30.04089 9.709543 19.19422 8.946419 10.84667       13.20279 
1 1 1 -20 22 31 o 20.04447 8.134052 16.13081       24.90505 -23.20000      58.46682 24.84933       27.52736 21.81295 10.32271 22.32412 8.715060 -0.5111713     13.50965 
1 1 1 -20 22 32 o 32.08035 6.670728 58.09845       20.26308 58.68517       28.46652 57.49583       28.84999 30.74917 8.931122 30.36997 9.037259 0.3791962      12.70579 
1 1 1 -20 22 33 o 66.05397 3.877064 223.5687       24.95711 270.4265       37.29603 185.5732       33.58440 71.22009 5.390016 58.41504 5.956907 12.80504       8.033492 
1 1 1 -20 22 34 o 15.20573 6.555893 2.717578       17.73781 -7.898642      24.32660 14.76932       25.91919 15.59247 7.127999 19.76668 8.189446 -4.174209      10.85704 
1 1 1 -20 22 35 o 13.72506 6.204195 -4.936803      17.79688 15.13795       24.67435 -26.70459      25.69377 19.48770 8.023912 13.78939 6.613106 5.698307       10.39790 
1 1 1 -20 22 36 o 20.85119 7.263801 24.44048       18.18662 38.34288       25.25999 9.477715       26.20560 24.94539 8.566877 18.66039 8.005889 6.285004       11.72543 
1 1 1 -20 22 37 o 15.68629 6.712014 4.783226       18.32952 10.23102       25.03712 -1.508940      26.90756 18.47406 7.872996 17.03329 7.670570 1.440773       10.99189 
1 1 1 -20 22 38 o 18.63447 7.190213 16.81096       18.57037 14.21724       25.48781 19.74585       27.11236 19.32603 8.073119 20.67200 8.449981 -1.345980      11.68663 
1 1 1 -20 22 39 o 32.74094 6.595100 61.80041       20.40424 62.20976       29.14290 61.40680       28.57732 30.77272 9.064234 30.66364 8.960588 0.1090813      12.74568 
1 1 1 -20 22 40 o 27.89116 7.908660 48.23078       22.57990 57.54928       27.75971 30.01000       38.81730 29.70916 8.870716 23.57444 9.912906 6.134718       13.30245 
1 1 1 -20 22 41 f 29.69700 7.301288 52.97458       21.07214 65.51780       29.45263 39.82072       30.16102 31.53183 9.062300 24.96936 9.268402 6.562469       12.96258 
1 1 1 -20 22 42 o 19.82244 7.808833 19.73433       22.27061 30.38000       33.19374 11.01915       30.03363 23.13087 9.389072 19.46134 8.460215 3.669529       12.63843 
1 1 1 -20 22 43 o 26.37948 7.739544 43.25586       21.28275 51.86435       29.24415 33.56260       31.03208 27.73476 9.218643 23.47774 9.227201 4.257025       13.04318 
1 1 1 -20 22 44 o 29.33069 7.597905 52.98022       21.98664 78.91400       30.06535 23.16735       32.23557 34.78746 8.818994 21.62755 9.059944 13.15992       12.64347 
1 1 1 -20 22 45 o 17.96553 7.450544 12.97462       21.48240 20.59185       29.28942 4.106009       31.60383 20.66240 8.644462 18.50636 8.325284 2.156042       12.00154 
1 1 1 -20 22 46 o 27.09836 8.510904 49.04043       25.14616 56.34620       30.67770 34.08000       43.89971 28.12183 9.443732 23.63757 10.25240 4.484259       13.93900 
1 1 1 -20 22 47 f 27.09287 8.526027 49.78155       25.22347 70.04411       30.97333 9.885000       43.46188 31.29467 9.376245 20.57970 9.452390 10.71498       13.31396 
1 1 1 -20 23 1  o 80.80670 3.196035 323.9661       25.22944 285.3325       43.11487 344.0839       31.11242 74.58113 5.955417 83.03521 3.838326 -8.454079      7.085177 
1 1 1 -20 23 2  o 38.89624 4.310710 76.54869       16.13685 64.55930       32.96511 80.32699       18.50565 33.94194 9.532199 39.68336 4.865911 -5.741413      10.70233 
1 1 1 -20 23 3  o 53.11203 3.676072 140.9386       18.99308 68.30243       34.55711 172.3770       22.73480 34.81703 9.753110 58.66243 3.982979 -23.84540      10.53505 
1 1 1 -20 23 4  o 44.46152 4.113660 99.51709       17.69977 24.98498       33.28745 128.8960       20.89906 24.68047 9.598193 50.59910 4.259165 -25.91864      10.50075 
1 1 1 -20 23 5  o 45.68089 5.563837 107.3462       24.36541 95.70313       34.16317 119.4000       34.76039 41.73383 8.647505 47.18467 7.798413 -5.450840      11.64451 
1 1 1 -20 23 6  o 71.35444 3.956959 254.7228       27.52864 235.9479       40.20107 271.3000       37.77485 67.64126 6.138611 73.01634 5.321925 -5.375084      8.124372 
1 1 1 -20 23 7  o 27.18305 6.623094 39.55019       17.45799 47.71524       30.62630 35.62000       21.24820 29.54094 9.407254 25.78902 7.774877 3.751913       12.20431 
1 1 1 -20 23 8  o 53.02441 4.340224 141.7137       22.32958 25.26000       61.40645 159.4589       23.97058 29.25826 12.39379 56.24785 4.388489 -26.98959      13.14781 
1 1 1 -20 23 9  o 66.92690 3.491386 223.1755       22.79295 157.8032       37.28219 262.1925       28.80259 54.67926 7.135923 72.32532 4.085114 -17.64606      8.222503 
1 1 1 -20 23 10 f 26.99750 6.451770 38.96823       16.81642 4.166000       33.09978 51.07668       19.52386 20.90660 8.984015 30.91229 6.649965 -10.00569      11.17741 
1 1 1 -20 23 11 o 50.18683 4.026008 126.6412       19.61169 170.8000       39.36009 112.0574       22.61950 56.79147 7.245308 46.84481 5.010790 9.946659       8.809228 
1 1 1 -20 23 12 o 46.57275 4.850643 110.5809       21.78881 51.20793       31.40294 165.7000       30.25706 30.31720 9.509435 56.80040 5.511321 -26.48320      10.99109 
1 1 1 -20 23 13 o 86.91444 3.294035 375.8009       27.97304 353.6700       44.07431 390.7290       36.19813 83.15456 5.444887 88.17968 4.205961 -5.025124      6.880182 
1 1 1 -20 23 14 o 22.91584 6.742794 27.97628       16.13407 27.16118       27.66823 28.39625       19.86021 23.97983 8.881582 23.29722 7.589828 0.6826115      11.68281 
1 1 1 -20 23 15 o 55.97815 3.866263 157.3914       21.05426 135.6527       33.66857 171.3512       26.98042 50.50328 6.998676 58.02996 4.792656 -7.526672      8.482394 
1 1 1 -20 23 16 o 34.54796 5.440936 62.26513       17.79142 58.78866       28.58861 64.46257       22.72914 32.25156 8.808919 34.54144 6.963318 -2.289875      11.22875 
1 1 1 -20 23 17 o 32.57364 5.942942 56.25261       18.25050 53.47436       30.00393 57.88422       22.99334 30.62980 9.239946 32.45085 7.403076 -1.821051      11.83985 
1 1 1 -20 23 18 o 28.12496 6.743725 43.15141       18.32471 14.23904       29.18569 61.96623       23.54388 21.32385 8.747551 33.53952 7.372918 -12.21567      11.44026 
1 1 1 -20 23 19 o 52.19643 4.193332 138.2472       21.24416 127.1831       33.57113 145.6370       27.43636 48.36539 7.319939 53.00052 5.362282 -4.635128      9.073895 
1 1 1 -20 23 20 o 22.86050 7.176806 28.27310       17.88253 25.26893       27.87492 30.37422       23.31186 23.18165 8.843462 23.88549 8.228874 -0.7038422     12.07978 
1 1 1 -20 23 21 o 43.55953 4.862603 98.17588       20.37961 125.5286       31.87389 79.26138       26.50528 48.04996 6.981080 37.76080 7.435827 10.28916       10.19936 
1 1 1 -20 23 22 f 48.39362 4.447131 120.2140       20.83026 115.7075       31.75138 123.6192       27.59985 45.73502 7.340936 48.20950 5.976727 -2.474483      9.466289 
1 1 1 -20 23 23 o 17.71771 7.074735 11.27001       18.51499 40.67767       27.10518 -14.45455      25.35105 26.56633 8.876204 15.39033 7.122493 11.17601       11.38055 
1 1 1 -20 23 24 o 33.85732 6.335376 62.63747       20.22418 55.54389       29.11444 69.25211       28.11440 30.43516 9.083900 34.37899 8.422201 -3.943827      12.38752 
1 1 1 -20 23 25 o 61.20132 4.041312 191.0570       24.07420 159.6225       34.01166 222.6192       34.08057 54.18062 6.545764 65.07880 5.398630 -10.89818      8.484823 
1 1 1 -20 23 26 o 40.52705 6.314168 89.65978       24.23185 62.48999       29.64161 144.4000       42.07381 32.02695 9.054540 49.19493 9.071598 -17.16799      12.81712 
1 1 1 -20 23 27 o 35.54463 7.441585 72.19131       25.05908 37.83479       29.23284 167.4000       48.66366 25.60219 9.182201 52.06956 9.909974 -26.46738      13.51001 
1 1 1 -20 23 28 o 26.76779 7.341688 41.30259       19.81055 29.13408       27.40381 54.62331       28.67188 23.37347 8.802251 29.86162 9.037756 -6.488148      12.61589 
1 1 1 -20 23 29 o 36.50490 7.732566 77.38866       26.76930 48.83000       33.55299 127.4000       44.40139 28.04303 9.859272 44.48489 10.38660 -16.44186      14.32085 
1 1 1 -20 23 30 o 15.62180 6.735926 2.738922       18.72889 4.681412       25.90879 0.6129271      27.10497 18.07849 7.858445 17.74322 7.863459 0.3352642      11.11707 
1 1 1 -20 23 31 f 25.39237 7.336711 37.57901       19.25599 44.35763       26.67045 30.19776       27.83075 26.92872 8.796883 23.41056 8.858483 3.518158       12.48431 
1 1 1 -20 23 32 o 36.79325 5.735753 73.86153       19.98354 78.13666       28.53164 69.74486       27.99792 35.96615 8.276490 33.74750 8.485654 2.218647       11.85355 
1 1 1 -20 23 33 o 24.57845 7.314502 35.48450       18.89848 62.89988       26.73545 8.105874       26.71753 31.93926 8.430003 18.67656 8.049114 13.26270       11.65561 
1 1 1 -20 23 34 o 21.50495 7.374085 26.34245       18.71367 38.95919       26.28211 13.36804       26.65203 25.14170 8.733665 19.48846 8.205497 5.653234       11.98362 
1 1 1 -20 23 35 o 17.24998 6.954943 11.77009       18.07580 20.19259       25.02844 2.587495       26.13342 20.49875 8.211922 17.48682 7.736951 3.011936       11.28256 
1 1 1 -20 23 36 o 16.45206 7.145491 4.227652       21.38385 6.672324       25.52829 -1.522000      39.15002 17.93583 7.798437 19.64734 9.004517 -1.711508      11.91205 
1 1 1 -20 23 37 o 37.59547 6.784317 81.38432       24.04752 72.39699       29.06189 100.9000       42.82529 33.70599 8.737281 37.26799 10.99066 -3.562004      14.04047 
1 1 1 -20 23 38 o 11.23181 5.519960 -35.93497      21.07805 -46.59132      25.09517 -10.41000      38.83904 11.84338 5.858502 18.60854 8.680911 -6.765153      10.47283 
1 1 1 -20 23 39 o 47.38657 7.130261 131.0858       32.04857 131.0858       32.04857 0.000000       0.000000 47.38657 7.130261 ?        ?        ?              ?        
1 1 1 -20 23 40 o 19.62194 7.856422 18.45124       22.89560 32.65431       27.59875 -12.90000      41.00395 23.27822 8.818506 18.74308 8.800268 4.535145       12.45836 
1 1 1 -20 23 41 o 20.68521 8.314598 21.65048       25.74916 -5.598000      32.12161 70.64000       43.07028 17.63207 8.108652 30.39792 11.11136 -12.76584      13.75545 
1 1 1 -20 23 42 o 14.28138 6.646367 -11.26530      22.55134 0.3193065      26.82005 -39.22000      41.66259 17.07759 7.677051 16.69205 8.106091 0.3855400      11.16449 
1 1 1 -20 23 43 o 22.04403 8.200184 28.80015       23.63323 29.63317       28.58303 27.00000       42.01792 22.50153 8.851951 23.10488 10.02575 -0.6033497     13.37433 
1 1 1 -20 23 44 o 18.02318 7.657079 11.26083       23.55553 36.75323       28.42431 -44.63000      42.08767 23.85857 8.969007 16.29467 7.964690 7.563900       11.99497 
1 1 1 -20 23 45 o 25.24948 8.381881 42.05214       24.17804 28.92417       28.75082 73.76000       44.68223 22.00418 8.806036 29.73124 11.23021 -7.727060      14.27109 
1 1 1 -20 23 46 o 18.44471 7.777565 14.44020       24.00151 12.10784       29.01972 19.49000       42.70047 18.85369 8.253774 21.46857 9.665830 -2.614876      12.71035 
1 1 1 -20 24 1  o 86.42004 3.266920 371.0585       27.58523 301.9510       45.41579 411.4589       34.72453 76.51245 6.114987 90.71513 3.919915 -14.20268      7.263525 
1 1 1 -20 24 2  o 52.82134 3.702040 139.6119       19.01946 79.38093       35.69329 163.4950       22.47620 37.38403 9.679030 57.06157 4.050467 -19.67754      10.49237 
1 1 1 -20 24 3  o 47.69182 5.486944 116.9791       25.14800 81.32995       36.01482 150.9000       35.13094 37.83514 9.684841 53.56601 6.857366 -15.73087      11.86674 
1 1 1 -20 24 4  o 64.32319 4.154253 207.8402       26.01585 188.7327       39.95799 221.9000       34.27606 59.92622 6.940249 65.92126 5.358177 -5.995041      8.767960 
1 1 1 -20 24 5  o 47.00410 4.862207 112.5541       22.04789 50.10840       34.25966 156.7000       28.80562 30.16309 9.976256 55.30652 5.389300 -25.14343      11.33888 
1 1 1 -20 24 6  o 70.38891 4.092957 248.6710       28.07826 229.9085       41.79842 264.1000       37.90394 66.42469 6.512317 71.88174 5.427248 -5.457054      8.477340 
1 1 1 -20 24 7  o 38.93476 4.651526 77.33524       17.37687 54.56533       33.12693 85.97891       20.41031 31.17337 9.765389 40.87498 5.220337 -9.701611      11.07315 
1 1 1 -20 24 8  o 25.61739 6.467499 35.21930       16.21706 15.48894       31.35050 42.42756       18.94926 22.30481 9.098191 28.00347 6.946794 -5.698662      11.44705 
1 1 1 -20 24 9  o 45.94521 4.507744 107.1788       20.01177 69.16000       40.93086 119.1216       22.94058 34.44883 10.86370 48.29761 4.921257 -13.84878      11.92639 
1 1 1 -20 24 10 o 37.92763 7.498995 78.13125       26.85280 37.39000       37.99252 118.8000       37.95870 27.54907 10.36650 46.29071 8.696672 -18.74165      13.53132 
1 1 1 -20 24 11 o 91.27755 3.336918 414.8658       29.76351 389.3054       47.40117 431.5029       38.24225 87.08179 5.590565 92.61488 4.229650 -5.533081      7.010303 
1 1 1 -20 24 12 o 32.36837 5.737561 55.12583       17.51289 22.44726       31.54627 69.68364       21.05545 23.57874 9.292209 36.31807 6.141643 -12.73933      11.13844 
1 1 1 -20 24 13 o 35.88368 5.269833 66.85814       17.95864 98.34177       32.27534 52.73956       21.61344 42.24437 8.100055 31.06224 7.242559 11.18213       10.86580 
1 1 1 -20 24 14 o 19.95970 7.244766 18.57564       18.26452 -10.11897      27.35104 41.67000       24.53729 16.92078 7.665837 27.41740 8.373592 -10.49663      11.35263 
1 1 1 -20 24 15 o 57.49564 3.836296 166.4036       21.46651 149.0835       34.69260 177.1489       27.32578 52.83138 6.871353 58.88782 4.781794 -6.056442      8.371442 
1 1 1 -20 24 16 o 17.18992 6.774215 10.41743       16.76549 5.526827       26.98151 13.49328       21.39773 19.14998 8.167389 19.25873 7.633076 -0.1087513     11.17900 
1 1 1 -20 24 17 o 56.34776 3.985363 160.5666       21.83935 121.7951       34.43214 186.6631       28.24870 46.97492 7.759100 60.33604 4.823299 -13.36112      9.136074 
1 1 1 -20 24 18 o 27.39895 6.843464 41.44204       18.29795 23.66498       28.85930 53.39284       23.66216 22.95151 8.933848 30.71814 7.843347 -7.766638      11.88830 
1 1 1 -20 24 19 o 35.89055 5.677946 68.36868       19.28413 55.80510       30.26045 76.96002       25.02356 30.73863 9.280797 37.36255 7.101892 -6.623924      11.68632 
1 1 1 -20 24 20 o 21.08817 7.253498 23.23028       18.11065 27.27564       27.79652 20.24623       23.87343 23.40114 8.853459 21.16317 8.156016 2.237972       12.03762 
1 1 1 -20 24 21 o 18.61146 7.155964 14.87084       18.34777 13.59338       28.09608 15.82070       24.22704 20.53771 8.519217 20.15174 8.077170 0.3859692      11.73958 
1 1 1 -20 24 22 o 32.04445 6.487041 56.55372       19.64832 32.62150       29.05432 76.72234       26.67210 24.60811 9.103697 36.72183 7.668263 -12.11372      11.90292 
1 1 1 -20 24 23 o 23.93267 7.572792 32.25305       19.87345 14.03764       28.64817 49.15031       27.59216 20.64071 8.585663 28.69776 8.900376 -8.057047      12.36650 
1 1 1 -20 24 24 o 48.88471 4.884107 124.7260       23.05778 119.2802       32.76333 130.0701       32.45610 45.92656 7.550306 48.38298 7.061311 -2.456421      10.33776 
1 1 1 -20 24 25 o 31.53814 7.800165 57.92997       23.94390 65.74288       29.48491 42.80000       41.03103 32.88615 8.930970 27.22144 10.63626 5.664711       13.88856 
1 1 1 -20 24 26 o 41.34006 5.504016 91.35321       21.71900 75.79168       30.20365 108.0158       31.25389 35.39075 8.765127 43.44653 7.627352 -8.055775      11.61912 
1 1 1 -20 24 27 o 43.10755 5.300841 98.75092       21.89642 56.49374       29.98507 147.0299       32.05044 30.16025 9.265180 51.77770 6.464336 -21.61745      11.29740 
1 1 1 -20 24 28 o 31.37123 9.209165 61.47923       30.12556 0.000000       0.000000 61.47923       30.12556 ?        ?        31.37123 9.209165 ?              ?        
1 1 1 -20 24 29 o 58.84880 4.157430 178.5295       23.79383 202.8900       34.02738 155.2217       33.28405 61.40434 5.727453 52.92481 6.565680 8.479527       8.712743 
1 1 1 -20 24 30 o 22.95797 7.415414 30.34080       18.98125 55.97061       27.21695 6.070820       26.48509 30.02196 8.736671 18.36610 7.964677 11.65586       11.82225 
1 1 1 -20 24 31 o 19.92838 7.283449 20.76701       18.50529 30.78016       26.14761 10.71881       26.19333 23.29597 8.633006 19.06664 8.086356 4.229321       11.82869 
1 1 1 -20 24 32 o 17.57655 7.386084 9.066339       21.52854 19.50985       25.53988 -16.57000      40.01509 20.56285 8.275392 18.56709 8.709971 1.995768       12.01440 
1 1 1 -20 24 33 o 44.56511 5.798866 109.1454       24.69624 104.7152       29.82896 118.8000       44.03484 42.17689 7.500193 41.18457 10.79443 0.9923210      13.14430 
1 1 1 -20 24 34 o 21.88678 7.936917 27.41752       21.91440 23.49698       26.24289 36.45000       39.83293 21.33466 8.454053 24.85567 10.21037 -3.521008      13.25604 
1 1 1 -20 24 35 o 16.38904 7.117907 4.209390       21.21775 -2.920509      25.41471 20.61000       38.54548 16.39820 7.413158 22.24254 9.627194 -5.844337      12.15063 
1 1 1 -20 24 36 o 16.14963 7.062968 2.858009       21.20371 -4.411695      25.37050 19.70000       38.61600 16.18831 7.353408 22.15545 9.612563 -5.967144      12.10264 
1 1 1 -20 24 37 o 14.03548 6.492344 -9.767444      21.02614 -3.729554      24.75589 -25.40000      39.83372 16.05329 7.280888 17.45308 8.333269 -1.399796      11.06593 
1 1 1 -20 24 38 o 22.77840 8.653723 30.70246       26.62250 30.70246       26.62250 0.000000       0.000000 22.77840 8.653723 ?        ?        ?              ?        
1 1 1 -20 24 39 o 26.01137 8.161635 42.62111       23.13014 70.88620       27.81012 -20.81000      41.66092 33.34620 8.497039 18.15822 8.628189 15.18798       12.10972 
1 1 1 -20 24 40 o 21.50178 8.329688 25.84405       24.99593 47.09000       31.01503 -13.53000      42.22203 26.48024 9.462514 18.85217 8.875989 7.628065       12.97391 
1 1 1 -20 24 41 o 43.24424 6.188070 105.9896       25.44751 113.6095       30.73246 89.37000       45.38701 43.49374 7.488954 33.36581 11.48252 10.12793       13.70886 
1 1 1 -20 24 42 o 15.40548 6.938492 -2.085875      22.02529 7.836773       25.93740 -27.74000      41.70529 18.00530 7.844239 17.48740 8.396739 0.5179024      11.49075 
1 1 1 -20 24 43 o 16.15476 7.159618 2.288925       22.47097 -12.07043      26.84525 35.90000       41.07156 15.36739 7.184743 23.98579 10.14707 -8.618397      12.43317 
1 1 1 -20 24 44 o 21.55112 8.125993 28.11547       23.37090 17.89120       27.96934 51.77000       42.54252 19.82881 8.380309 26.14593 10.62329 -6.317120      13.53084 
1 1 1 -20 24 45 o 25.09956 8.274979 42.10869       23.57733 45.25731       28.26116 34.90000       42.76200 25.38536 9.036864 23.32900 10.11862 2.056366       13.56655 
1 1 1 -20 25 1  o 46.55674 4.080802 109.3853       18.40878 98.39703       36.32104 113.1837       21.35483 41.76316 9.139457 47.14045 4.690187 -5.377293      10.27266 
1 1 1 -20 25 2  f 27.07344 8.091400 40.13764       23.08802 14.51709       35.00757 59.86000       30.71476 22.87645 9.501170 32.48834 9.227856 -9.611885      13.24483 
1 1 1 -20 25 3  o 77.46310 4.017767 301.2581       30.35981 277.2528       44.19982 322.7000       41.77337 73.01909 6.243986 79.38229 5.408432 -6.363197      8.260659 
1 1 1 -20 25 4  o 47.86219 4.928583 117.1412       22.76013 37.20433       36.34789 168.7000       29.19154 27.28767 10.16590 57.36147 5.257544 -30.07380      11.44497 
1 1 1 -20 25 5  o 52.28690 3.993683 137.6540       20.28494 114.6678       37.54049 147.1331       24.10738 45.36075 8.772303 53.81743 4.621059 -8.456680      9.915013 
1 1 1 -20 25 6  o 66.06500 3.580168 218.2461       23.06510 192.6185       41.80563 229.4608       27.65508 60.11644 7.250796 67.47581 4.208117 -7.359367      8.383453 
1 1 1 -20 25 7  o 30.00825 6.231969 48.10088       17.70589 -6.827000      41.56275 60.27927       19.57055 21.37930 9.588181 33.71150 6.157707 -12.33220      11.39520 
1 1 1 -20 25 8  o 60.12983 3.896111 181.6926       22.80779 166.3000       49.13783 185.9195       25.74964 54.13444 9.626113 60.62698 4.368382 -6.492546      10.57094 
1 1 1 -20 25 9  o 40.98046 4.992765 86.42340       19.61450 71.27000       42.22082 90.59399       22.14984 34.62779 11.04737 41.73428 5.560375 -7.106487      12.36779 
1 1 1 -20 25 10 o 22.89766 6.885247 28.09103       16.67959 1.522173       31.11489 38.80473       19.75840 19.73512 8.594794 26.59658 7.346753 -6.861462      11.30687 
1 1 1 -20 25 11 o 30.72113 6.008928 50.32814       17.42171 51.90566       31.49865 49.63285       20.91143 30.13010 9.533785 30.05163 7.202897 0.7847404E-01  11.94884 
1 1 1 -20 25 12 o 15.42679 6.427137 4.433718       16.09106 12.25243       29.42782 1.098976       19.21860 20.99742 8.715121 15.86126 6.831163 5.136161       11.07331 
1 1 1 -20 25 13 o 52.22464 4.043796 138.0297       20.51052 117.2026       34.54739 149.3665       25.48866 46.00721 7.959535 53.94376 4.879976 -7.936543      9.336400 
1 1 1 -20 25 14 o 24.66821 7.028974 33.42133       17.79271 8.092000       35.52828 41.90071       20.55629 21.60812 9.296902 27.42161 7.461362 -5.813492      11.92075 
1 1 1 -20 25 15 o 15.88043 6.623148 5.035174       17.11395 16.70680       29.54634 -0.8577345     20.99437 21.69077 8.838240 16.05109 7.023751 5.639677       11.28927 
1 1 1 -20 25 16 o 24.10419 7.846035 31.88293       21.22602 28.32501       29.89516 35.50000       30.14264 24.04013 9.161373 25.67450 9.308743 -1.634373      13.06076 
1 1 1 -20 25 17 o 27.56985 6.893055 42.28188       18.55060 65.52415       30.70569 28.92286       23.27913 33.21085 9.152683 23.33210 8.211502 9.878757       12.29636 
1 1 1 -20 25 18 o 26.85289 6.983409 40.39674       18.52533 73.35827       29.66598 19.32694       23.71838 35.35464 8.645585 20.87861 8.106925 14.47603       11.85194 
1 1 1 -20 25 19 f 12.12477 5.724618 -17.00353      17.78764 -16.53698      27.05374 -17.35881      23.60790 15.68044 7.291443 14.39889 6.733790 1.281547       9.925173 
1 1 1 -20 25 20 o 11.77470 5.614490 -20.27314      17.95534 -6.812103      26.62428 -31.50271      24.31757 16.77895 7.586187 13.11878 6.327631 3.660171       9.878722 
1 1 1 -20 25 21 o 30.50599 6.922212 52.30033       20.19420 14.76209       29.35150 86.04101       27.82724 20.89835 8.691423 38.91652 7.577801 -18.01817      11.53100 
1 1 1 -20 25 22 o 30.05709 7.007683 51.11994       20.23553 33.30325       29.19361 67.59616       28.07393 24.59888 9.120855 33.69893 8.510368 -9.100054      12.47463 
1 1 1 -20 25 23 o 49.52145 5.606727 130.7007       26.69992 111.4517       33.06073 166.8000       45.27498 43.94009 7.980652 52.83644 9.081485 -8.896347      12.08984 
1 1 1 -20 25 24 f 18.59837 7.678957 11.24201       22.68175 16.89301       27.46653 -0.8740000     40.21807 20.76446 8.498394 20.69200 9.342579 0.7245827E-01  12.62959 
1 1 1 -20 25 25 f 13.21381 6.148724 -12.97711      19.29079 -22.76265      27.00349 -2.778269      27.56785 14.80739 7.009766 17.44465 7.817332 -2.637260      10.49988 
1 1 1 -20 25 26 o 21.50933 8.343602 22.71169       25.10455 4.604000       31.56370 53.89000       41.41738 19.46388 8.561670 28.92738 10.83661 -9.463499      13.81066 
1 1 1 -20 25 27 o 55.63998 6.409909 170.4374       34.27240 0.000000       0.000000 170.4374       34.27240 ?        ?        55.63998 6.409909 ?              ?        
1 1 1 -20 25 28 o 59.04406 4.184373 179.9759       24.02648 144.1282       33.75829 216.7748       34.20322 50.52811 7.014526 63.61246 5.548587 -13.08435      8.943735 
1 1 1 -20 25 29 o 19.83927 7.350851 20.29433       18.95622 43.09933       26.73437 -2.764113      26.88252 26.42088 8.815024 17.05450 7.674694 9.366377       11.68784 
1 1 1 -20 25 30 o 19.92830 7.307096 20.82571       18.64880 39.70065       26.41113 2.058279       26.33581 25.48985 8.759692 17.60367 7.778766 7.886175       11.71501 
1 1 1 -20 25 31 o 15.38885 6.862193 -1.607333      20.96623 -14.02767      24.81943 29.34000       39.17749 14.86391 6.935840 23.88113 9.994859 -9.017218      12.16565 
1 1 1 -20 25 32 o 16.16495 7.066720 2.789592       21.20688 2.150605       25.32314 4.290000       38.80399 17.18220 7.608434 20.29056 9.167637 -3.108362      11.91360 
1 1 1 -20 25 33 o 11.46077 5.589413 -30.53821      20.39616 -39.69324      24.32663 -8.872000      37.42341 12.11236 5.948175 18.53538 8.604207 -6.423016      10.46008 
1 1 1 -20 25 34 o 11.10279 5.448491 -34.00446      20.29637 -41.91333      24.18709 -15.18000      37.31537 11.88260 5.854077 17.85828 8.388083 -5.975683      10.22889 
1 1 1 -20 25 35 o 26.40221 8.073586 43.39856       22.80135 50.53956       27.65247 28.23000       40.30199 27.85141 8.946207 23.48542 9.998041 4.365992       13.41624 
1 1 1 -20 25 36 o 26.39252 8.050062 43.65644       22.68754 42.84267       26.37748 45.97000       44.47591 25.78887 8.756720 26.14196 10.76916 -0.3530941     13.88002 
1 1 1 -20 25 37 o 16.22605 7.361870 -3.367757      25.33715 -3.367757      25.33715 0.000000       0.000000 16.22605 7.361870 ?        ?        ?              ?        
1 1 1 -20 25 38 o 12.79878 6.098310 -19.58533      21.10295 -20.71053      24.94123 -16.75000      39.59179 13.98069 6.652507 18.06239 8.531831 -4.081697      10.81887 
1 1 1 -20 25 39 o 16.64839 7.350212 2.848080       23.46479 1.766000       28.54290 5.104000       41.21261 17.71495 7.945184 20.45880 9.323908 -2.743847      12.24995 
1 1 1 -20 25 40 o 28.99029 7.081426 50.59346       19.91932 35.20000       26.85458 69.42210       29.70022 23.63240 8.750546 32.18684 9.050894 -8.554440      12.58931 
1 1 1 -20 25 41 o 17.30155 7.157556 11.34124       19.75871 11.68754       26.35493 10.89677       29.85784 18.71872 8.029751 19.22550 8.395301 -0.5067825     11.61714 
1 1 1 -20 25 42 o 30.51940 8.603528 61.72995       26.80186 48.73000       54.15888 65.94622       30.84345 25.87848 11.30354 30.70387 9.390244 -4.825399      14.69513 
1 1 1 -20 25 43 o 17.65178 7.824977 5.970293       26.85760 14.29000       52.15885 2.968483       31.33037 22.03972 10.20558 18.11814 8.206801 3.921585       13.09601 
1 1 1 -20 25 44 o 22.25232 8.654490 31.69685       27.06500 -15.00000      52.49712 48.60183       31.58633 19.54421 9.393755 25.80285 9.501554 -6.258638      13.36122 
1 1 1 -20 26 1  o 55.84892 5.111875 160.2024       27.63523 220.9000       65.38219 147.0000       30.49294 60.62189 11.43779 53.02703 5.978952 7.594860       12.90624 
1 1 1 -20 26 2  o 24.46492 7.381299 32.48515       19.14617 -39.31971      35.56815 61.78000       22.71852 16.39309 7.840040 33.65118 7.119726 -17.25809      10.59041 
1 1 1 -20 26 3  o 37.86346 5.700313 75.20532       20.47178 41.12361       36.27715 91.13000       24.79749 27.85227 10.19487 41.45753 6.309554 -13.60526      11.98941 
1 1 1 -20 26 4  o 53.19373 3.941553 142.7126       20.37687 69.09709       37.31880 173.9833       24.32271 34.16129 10.30483 58.61502 4.268583 -24.45374      11.15394 
1 1 1 -20 26 5  o 63.33900 3.622679 201.2186       22.36620 140.5359       40.17539 228.4729       26.92438 50.22929 8.472530 67.27644 4.108204 -17.04715      9.416003 
1 1 1 -20 26 6  o 40.84609 4.887205 85.97576       19.15230 81.99000       44.60218 86.87683       21.20697 36.52269 11.31416 40.82374 5.442604 -4.301052      12.55516 
1 1 1 -20 26 7  o 40.60801 4.950459 85.15719       19.27100 63.09000       44.29177 90.31009       21.40304 32.52188 11.33533 41.64631 5.375669 -9.124428      12.54542 
1 1 1 -20 26 8  o 38.33200 5.080907 76.25139       18.59475 17.64798       35.24328 98.85815       21.88941 23.12682 9.562569 43.65123 5.226878 -20.52441      10.89784 
1 1 1 -20 26 9  o 44.11413 6.533271 104.1114       27.35911 65.27602       36.22154 155.7000       41.74746 33.07238 10.18745 52.81431 8.353040 -19.74194      13.17412 
1 1 1 -20 26 10 o 69.65893 3.606323 243.7195       24.50566 182.7699       39.81336 280.8948       31.09357 58.14948 7.144833 74.40948 4.287249 -16.26000      8.332415 
1 1 1 -20 26 11 o 51.55194 4.172322 135.0997       20.87396 151.1883       36.86307 127.5061       25.32544 52.62007 7.357919 49.51114 5.308528 3.108925       9.073007 
1 1 1 -20 26 12 o 23.56138 7.038120 30.46836       17.47184 -1.727041      31.37847 44.93549       21.03419 19.06454 8.454246 28.28207 7.483262 -9.217533      11.29041 
1 1 1 -20 26 13 o 31.33806 6.104641 53.05798       18.05223 13.33578       32.29684 71.10696       21.77057 21.56134 9.052741 36.26401 6.365279 -14.70267      11.06657 
1 1 1 -20 26 14 o 65.40536 3.682174 215.8748       23.47830 189.2269       39.11906 230.8780       29.35270 59.05244 6.897508 67.16060 4.490867 -8.108162      8.230643 
1 1 1 -20 26 15 o 14.47384 6.294600 -0.9593356E-01 16.63978 -0.7403680     30.48693 0.1774965      19.85854 18.81409 8.338748 15.73300 6.858865 3.081086       10.79716 
1 1 1 -20 26 16 o 18.44170 7.230151 13.70268       19.01306 4.073000       34.95220 17.74971       22.65880 20.50329 9.014529 20.24328 7.905697 0.2600136      11.99007 
1 1 1 -20 26 17 o 36.61718 6.807567 74.25173       23.50176 45.67670       32.44397 105.8000       34.09011 27.75230 9.699612 42.63162 8.468011 -14.87931      12.87593 
1 1 1 -20 26 18 o 35.14005 6.474894 67.87770       21.45072 42.74842       32.36001 87.57464       28.64956 27.02784 9.664679 39.16852 7.747174 -12.14068      12.38647 
1 1 1 -20 26 19 o 37.68264 5.907526 76.64725       21.07416 59.00601       32.75930 89.10224       27.52591 30.82998 9.718491 39.73996 7.346884 -8.909971      12.18301 
1 1 1 -20 26 20 o 40.84238 5.501647 88.95323       21.43544 106.5049       32.87475 75.97244       28.27186 42.82978 8.139169 35.95636 8.213421 6.873417       11.56315 
1 1 1 -20 26 21 o 20.40760 7.602575 20.69718       20.32840 47.97465       30.36255 -1.464353      27.36756 28.04313 9.394840 17.63305 7.852959 10.41008       12.24467 
1 1 1 -20 26 22 o 41.86072 6.478540 96.57318       25.68876 77.99632       32.62124 126.9000       41.68001 35.46943 9.287990 45.18036 9.713790 -9.710938      13.43966 
1 1 1 -20 26 23 o 19.95576 7.605768 19.07320       20.60621 12.46429       28.32462 26.50365       30.03356 20.05797 8.452941 23.01651 9.067898 -2.958546      12.39673 
1 1 1 -20 26 24 o 45.33689 5.224449 109.1189       22.76108 97.08113       31.76004 121.8298       32.63588 40.46371 8.297542 46.18130 7.475041 -5.717590      11.16805 
1 1 1 -20 26 25 o 25.62061 9.169736 39.24682       29.13730 0.000000       0.000000 39.24682       29.13730 ?        ?        25.62061 9.169736 ?              ?        
1 1 1 -20 26 26 o 41.29496 6.392286 94.68798       25.00395 52.29634       29.89460 193.4000       45.61814 28.74439 9.307943 57.02283 8.426491 -28.27844      12.55562 
1 1 1 -20 26 27 o 31.33918 6.768124 56.14737       20.15347 72.17579       28.29571 39.64448       28.71145 34.31541 8.474939 25.51764 9.105915 8.797762       12.43954 
1 1 1 -20 26 28 o 25.86489 7.223791 39.27443       18.98772 10.26440       26.25338 71.09338       27.49502 18.95788 8.069994 34.13515 8.308496 -15.17727      11.58257 
1 1 1 -20 26 29 o 26.45232 7.096572 41.13787       18.75379 4.264487       25.69915 83.14240       27.42902 17.72159 7.762455 37.36958 7.753046 -19.64799      10.97112 
1 1 1 -20 26 30 o 24.93076 7.986828 37.89763       22.05020 32.40895       26.26573 51.00000       40.58175 23.40197 8.656106 27.40821 10.61469 -4.006233      13.69671 
1 1 1 -20 26 31 o 36.04395 6.776533 74.95582       23.03074 51.50600       26.99354 137.7000       44.15468 28.26937 8.809046 45.10859 10.23578 -16.83922      13.50446 
1 1 1 -20 26 32 o 20.52678 7.751608 22.87362       21.28544 24.53028       25.24528 18.80000       39.58716 21.33388 8.340909 22.06492 9.650327 -0.7310448     12.75537 
1 1 1 -20 26 33 o 27.02143 7.988639 45.43320       22.60236 53.68905       27.23606 27.17000       40.50903 28.72944 8.831105 23.30546 9.975341 5.423979       13.32276 
1 1 1 -20 26 34 o 41.36533 6.333961 96.96146       24.83077 111.5124       30.47841 68.24000       42.82036 43.33225 7.454569 30.07023 11.06465 13.26202       13.34156 
1 1 1 -20 26 35 o 30.55081 8.925360 61.45040       28.35620 61.45040       28.35620 0.000000       0.000000 30.55081 8.925360 ?        ?        ?              ?        
1 1 1 -20 26 36 o 14.90994 6.612944 -0.7425866E-01 19.20641 -7.002334      26.16365 8.022264       28.28403 15.93832 7.325478 18.58874 8.142854 -2.650418      10.95302 
1 1 1 -20 26 37 o 19.47980 7.612401 19.34530       21.01972 -1.571000      30.38498 38.54153       29.10881 17.67253 8.035350 24.51241 9.104068 -6.839882      12.14294 
1 1 1 -20 26 38 o 24.10699 7.461793 35.54073       19.40445 22.14830       26.01973 52.32209       29.12639 20.72548 8.348579 27.83033 9.198305 -7.104849      12.42206 
1 1 1 -20 26 39 f 29.44594 8.498311 56.62831       25.84976 -18.88000      52.45184 80.85096       29.70805 19.88121 9.511604 35.25547 8.670085 -15.37426      12.87016 
1 1 1 -20 26 40 o 23.92448 8.600386 36.56758       25.66219 32.42000       52.48444 37.87068       29.41857 24.27929 10.83986 24.17871 9.116904 0.1005802      14.16406 
1 1 1 -20 26 41 o 25.34132 8.741126 42.92569       26.30738 0.4100000      53.28452 56.62944       30.25146 21.16685 9.967465 28.35528 9.374372 -7.188425      13.68317 
1 1 1 -20 26 42 o 17.09276 7.628305 3.748217       25.96500 -15.58000      51.65218 10.28395       30.03584 19.59220 9.390814 18.84878 8.319057 0.7434177      12.54568 
1 1 1 -20 26 43 o 11.71954 5.654764 -22.02938      19.46302 -44.76126      25.54588 9.422738       30.04887 11.87575 5.881028 18.55061 8.247112 -6.674863      10.12923 
1 1 1 -20 26 44 o 16.68661 7.471847 3.827837       25.13215 3.827837       25.13215 0.000000       0.000000 16.68661 7.471847 ?        ?        ?              ?        
1 1 1 -20 27 1  o 54.02919 5.389462 151.8300       28.12248 104.2000       60.24577 165.1000       31.79962 39.17244 13.23441 56.05173 5.883574 -16.87929      14.48330 
1 1 1 -20 27 2  o 50.49370 4.644530 130.7590       22.69843 101.6000       59.39465 135.7460       24.56287 38.76944 13.14035 51.29665 4.953519 -12.52720      14.04301 
1 1 1 -20 27 3  o 37.49445 5.114069 73.28600       18.28024 54.45879       35.42425 80.11925       21.34131 30.38271 10.14724 38.91877 5.777225 -8.536068      11.67660 
1 1 1 -20 27 4  o 35.25523 5.531250 65.59845       18.46014 48.42000       44.72104 69.12668       20.26741 29.43016 11.20759 36.01007 5.958182 -6.579916      12.69291 
1 1 1 -20 27 5  o 46.96693 4.576644 113.2038       20.77342 45.77000       45.27695 131.1837       23.37940 28.96754 11.21375 50.48067 4.788805 -21.51313      12.19347 
1 1 1 -20 27 6  o 72.46992 3.845280 265.1005       27.17907 188.3000       53.92382 291.2557       31.46863 56.20454 10.17629 75.70881 4.263672 -19.50427      11.03340 
1 1 1 -20 27 7  o 71.26501 3.603679 255.5308       25.05629 204.2529       42.07790 283.7029       31.18880 61.29616 7.147115 74.68486 4.284360 -13.38870      8.332887 
1 1 1 -20 27 8  o 41.32542 4.952424 88.73936       19.63426 33.80735       34.75724 114.4840       23.79445 25.70598 9.857989 46.82432 5.283729 -21.11834      11.18471 
1 1 1 -20 27 9  o 59.44720 3.877812 178.9627       22.44127 155.5426       38.70316 190.8247       27.54419 52.90628 7.699398 60.95250 4.651848 -8.046215      8.995578 
1 1 1 -20 27 10 o 25.13738 7.010825 35.24376       17.89807 19.36208       33.01083 41.85635       21.30071 22.64109 9.297201 27.14372 7.676162 -4.502625      12.05659 
1 1 1 -20 27 11 o 21.99603 7.120357 26.27146       17.49485 20.57553       32.29852 28.63654       20.81241 22.67131 9.239607 22.96245 7.778511 -0.2911396     12.07790 
1 1 1 -20 27 12 o 22.83176 7.106456 28.83202       17.57290 6.019673       31.86748 38.79992       21.06516 20.09598 8.725575 26.07462 7.713092 -5.978642      11.64592 
1 1 1 -20 27 13 o 23.58840 7.170706 31.11285       18.02183 28.28688       31.91387 32.43594       21.83684 23.96186 9.375227 24.06349 7.964953 -0.1016331     12.30184 
1 1 1 -20 27 14 o 19.01573 7.077101 17.06159       17.60706 -2.372418      31.35133 26.01498       21.27984 18.69574 8.360287 22.13038 7.845331 -3.434637      11.46489 
1 1 1 -20 27 15 o 36.64914 5.664023 71.95303       19.66421 56.03460       32.85952 80.83436       24.54428 30.15104 9.758220 38.19447 6.815166 -8.043427      11.90249 
1 1 1 -20 27 16 o 15.16619 6.654263 -0.6268232     18.95611 2.037070       30.09177 -2.379407      24.40781 18.94349 8.345201 16.68873 7.425280 2.254761       11.17037 
1 1 1 -20 27 17 o 38.45309 5.830461 79.75043       21.25782 59.34655       33.22255 93.89556       27.66179 30.77348 9.797667 40.87370 7.175647 -10.10022      12.14431 
1 1 1 -20 27 18 o 29.45802 7.635639 50.50666       22.19629 104.6000       39.91122 26.28406       26.70752 40.57207 10.09167 22.64762 8.652255 17.92445       13.29298 
1 1 1 -20 27 19 o 34.02343 7.565515 66.87218       24.54372 72.64419       32.88129 59.61000       36.88237 34.04984 9.504780 30.42667 10.35428 3.623165       14.05532 
1 1 1 -20 27 20 o 16.09649 7.005460 1.740852       20.64232 20.27806       30.73506 -13.49197      27.86134 21.90573 8.980433 16.10906 7.459203 5.796677       11.67424 
1 1 1 -20 27 21 o 48.06628 5.978465 125.2373       27.52165 111.0935       35.35122 147.0000       43.85087 43.03111 8.692558 48.79266 9.523525 -5.761551      12.89411 
1 1 1 -20 27 22 o 29.03151 7.576231 49.41967       21.75397 74.86829       32.08704 27.77262       29.59354 34.55053 9.288501 23.13624 9.035026 11.41429       12.95793 
1 1 1 -20 27 23 o 16.19241 7.277126 -3.698525      24.07999 25.15685       29.81029 -57.88000      40.84871 22.55317 8.986473 15.82801 7.759572 6.725158       11.87298 
1 1 1 -20 27 24 o 32.05751 7.620766 60.63638       23.56009 6.947000       36.45583 99.14248       30.87363 20.60493 9.126245 40.94162 7.990925 -20.33669      12.13026 
1 1 1 -20 27 25 o 16.84800 7.119550 6.980927       20.18228 25.36723       28.62621 -11.19075      28.45864 22.30367 8.832282 16.39394 7.572635 5.909727       11.63417 
1 1 1 -20 27 26 o 39.78476 5.635372 86.17318       21.33201 82.92614       30.29013 89.36838       30.04736 36.67358 8.589740 38.45415 8.231289 -1.780579      11.89696 
1 1 1 -20 27 27 o 28.34156 7.142814 47.18321       19.80509 45.88230       27.81401 48.52118       28.20739 26.94431 8.991291 27.60793 9.048493 -0.6636238     12.75612 
1 1 1 -20 27 28 o 29.38567 6.905115 50.40657       19.52291 44.35821       28.10958 56.04293       27.13532 26.38500 9.037957 29.64423 8.750304 -3.259230      12.57985 
1 1 1 -20 27 29 o 18.51034 7.587908 13.82422       21.94034 13.21746       26.72017 15.08000       38.44041 19.31998 8.179361 21.49918 9.452976 -2.179199      12.50043 
1 1 1 -20 27 30 o 20.64515 7.868605 22.99080       22.05517 14.22948       26.54326 42.53000       39.63903 19.43239 8.185700 25.65652 10.31506 -6.224133      13.16838 
1 1 1 -20 27 31 o 13.79742 6.423599 -11.66718      21.09678 -19.10982      25.33196 5.179000       38.11148 14.30764 6.777954 20.09656 9.082202 -5.788918      11.33257 
1 1 1 -20 27 32 o 20.89295 7.918001 24.00227       22.25522 25.98587       27.01198 19.81000       39.26933 21.80153 8.596447 22.12966 9.646332 -0.3281326     12.92094 
1 1 1 -20 27 33 o 21.78053 8.027545 27.68068       22.55474 31.74111       27.21744 18.78000       40.29700 22.98290 8.745522 21.98333 9.671757 0.9995766      13.03944 
1 1 1 -20 27 34 o 24.04992 8.847924 36.35506       27.37963 36.35506       27.37963 0.000000       0.000000 24.04992 8.847924 ?        ?        ?              ?        
1 1 1 -20 27 35 o 13.90159 6.304898 -4.573925      18.56289 -4.705064      25.64968 -4.429703      26.89861 16.08224 7.339454 16.45050 7.510765 -0.3682594     10.50139 
1 1 1 -20 27 36 o 18.21255 8.041984 6.118590       28.09944 0.000000       0.000000 6.118590       28.09944 ?        ?        18.21255 8.041984 ?              ?        
1 1 1 -20 27 37 o 35.91586 7.838266 79.73383       26.77997 95.73000       54.48823 74.63928       30.75019 32.77555 12.39666 33.31791 9.150302 -0.5423584     15.40796 
1 1 1 -20 27 38 o 18.92591 7.928109 14.74182       24.68399 77.86000       51.88362 -3.724356      28.06348 30.07096 11.89619 16.73610 7.652741 13.33486       14.14510 
1 1 1 -20 27 39 o 26.50745 8.596631 46.40693       25.49441 11.58000       53.35031 56.71352       29.02265 22.26385 10.31359 28.75540 9.157715 -6.491550      13.79253 
1 1 1 -20 27 40 o 14.23710 6.451527 -3.438017      19.38590 4.150815       26.25584 -12.53362      28.74447 17.28608 7.695529 15.74381 7.384461 1.542272       10.66543 
1 1 1 -20 27 41 o 17.24950 7.138932 12.26750       19.66701 7.210108       26.49779 18.47078       29.34657 17.69105 7.810666 19.97636 8.518770 -2.285313      11.55751 
1 1 1 -20 27 42 o 25.12500 7.718164 41.16551       20.80793 50.53947       27.85001 29.32076       31.30594 26.59866 8.998118 21.81269 9.015267 4.785963       12.73739 
1 1 1 -20 28 1  o 58.73788 3.887168 175.0554       22.22327 105.5626       39.50731 207.2224       26.87897 41.64256 9.848099 63.65546 4.339863 -22.01290      10.76194 
1 1 1 -20 28 2  o 43.14701 5.215708 97.60358       21.58124 -31.10000      58.82552 117.6202       23.19884 21.96377 10.38220 47.49480 5.068385 -25.53103      11.55329 
1 1 1 -20 28 3  o 21.29375 7.469269 23.59201       19.24988 0.000000       0.000000 23.59201       19.24988 ?        ?        21.29375 7.469269 ?              ?        
1 1 1 -20 28 4  o 16.45580 6.723273 7.824554       17.15366 37.63000       44.51650 2.627310       18.58916 27.08001 10.91586 15.75936 6.751683 11.32065       12.83515 
1 1 1 -20 28 5  o 23.20274 6.997056 29.87092       17.20772 8.296595       35.84138 36.33353       19.61643 21.31752 9.254818 25.35147 7.428324 -4.033957      11.86725 
1 1 1 -20 28 6  o 14.05105 6.219867 -2.615452      16.90976 -16.79446      35.90189 1.426739       19.16915 18.21614 8.446168 15.69828 6.791897 2.517860       10.83825 
1 1 1 -20 28 7  o 28.55365 6.873025 45.73090       18.97691 1.162268       35.60310 63.41789       22.42849 20.22419 8.984893 33.65638 7.034983 -13.43219      11.41137 
1 1 1 -20 28 8  o 60.40380 3.986285 185.8386       23.43712 128.4224       39.63828 216.7015       29.06136 46.58516 9.018789 64.82715 4.609943 -18.24199      10.12868 
1 1 1 -20 28 9  o 47.94748 4.592062 118.9636       21.28854 53.34145       36.37637 153.1461       26.25404 29.43461 10.27178 54.18264 5.006887 -24.74804      11.42709 
1 1 1 -20 28 10 o 50.23909 4.446520 130.1498       21.64041 72.49639       36.06815 162.5777       27.05017 33.88822 10.10975 55.82373 5.003461 -21.93551      11.28015 
1 1 1 -20 28 11 o 23.24797 7.268048 30.26301       18.35954 0.8283040      31.27705 45.73701       22.67761 19.08901 8.454095 28.04146 7.917051 -8.952448      11.58238 
1 1 1 -20 28 12 o 26.53702 7.126998 40.07452       18.90244 28.00892       32.06350 46.50160       23.40148 23.78129 9.369291 28.16694 8.072449 -4.385654      12.36722 
1 1 1 -20 28 13 o 17.50763 7.028866 11.05153       18.37793 15.70721       30.55534 8.412667       23.00403 21.21382 8.848824 18.16242 7.633805 3.051399       11.68660 
1 1 1 -20 28 14 o 20.91804 7.417122 23.07075       19.02114 -15.50528      30.89266 46.62471       24.13951 16.83220 7.814922 28.05472 8.245764 -11.22252      11.36071 
1 1 1 -20 28 15 o 23.38102 7.396404 31.03237       18.95948 21.78818       30.91466 36.60538       24.00354 22.27601 9.054026 25.07777 8.352348 -2.801762      12.31816 
1 1 1 -20 28 16 o 29.74758 7.123258 50.64341       20.46676 37.15773       32.38505 59.61145       26.40930 25.48936 9.575336 31.51907 8.405985 -6.029711      12.74157 
1 1 1 -20 28 17 o 35.94043 6.311651 71.30649       21.39434 30.49281       32.49538 102.5338       28.42405 24.07680 9.448376 42.68773 7.048403 -18.61093      11.78778 
1 1 1 -20 28 18 o 15.31212 6.757603 -0.9333476     19.81515 20.16848       29.99269 -17.27794      26.39627 21.72875 8.885378 15.18709 7.108229 6.541659       11.37879 
1 1 1 -20 28 19 o 23.06611 8.250567 29.77026       23.58500 13.82652       30.09019 55.17000       37.97908 20.57931 8.694600 29.18035 10.46600 -8.601040      13.60637 
1 1 1 -20 28 20 o 30.51969 8.791820 57.53657       27.69028 54.52000       38.64342 60.72000       39.69781 28.93237 10.53264 30.16235 10.71319 -1.229980      15.02362 
1 1 1 -20 28 21 o 21.57006 8.926258 19.54671       30.74380 19.54671       30.74380 0.000000       0.000000 21.57006 8.926258 ?        ?        ?              ?        
1 1 1 -20 28 22 o 22.57832 8.960032 26.04962       29.51904 0.000000       0.000000 26.04962       29.51904 ?        ?        22.57832 8.960032 ?              ?        
1 1 1 -20 28 23 o 68.75456 4.430459 245.9761       29.65778 160.9000       46.11854 305.9691       38.72776 50.26094 9.725938 75.81715 5.250979 -25.55620      11.05290 
1 1 1 -20 28 24 o 43.01375 5.547241 100.3370       22.81234 80.54926       32.00713 120.7667       32.52208 35.56177 9.144348 45.47368 7.572736 -9.911911      11.87289 
1 1 1 -20 28 25 o 35.76208 6.373711 71.97305       21.49287 49.14361       29.97084 96.14384       30.83875 27.61996 9.334483 39.88594 8.173895 -12.26597      12.40746 
1 1 1 -20 28 26 o 13.94302 6.359885 -6.616020      19.22783 -22.67344      27.18883 9.449499       27.19569 14.61178 6.950809 18.85029 8.122377 -4.238514      10.69050 
1 1 1 -20 28 27 o 30.00481 7.009065 53.08290       20.21159 57.48316       29.08693 48.97462       28.10535 29.54021 9.134363 27.40863 9.034636 2.131577       12.84762 
1 1 1 -20 28 28 o 13.85100 6.285410 -5.128707      18.47925 13.19920       26.98972 -21.30252      25.35410 19.33064 8.203758 14.10802 6.711461 5.222621       10.59931 
1 1 1 -20 28 29 o 14.63984 6.750423 -8.767410      22.47047 -28.47338      27.91003 27.54000       37.88428 14.16275 6.817987 23.02237 9.742729 -8.859619      11.89141 
1 1 1 -20 28 30 o 18.68878 7.742979 13.93349       23.17059 -28.86034      28.34082 100.2000       40.23861 14.25957 6.866069 37.41439 10.53992 -23.15482      12.57907 
1 1 1 -20 28 31 o 13.31032 6.317298 -18.62702      22.20592 -23.98429      27.25979 -8.060000      38.28485 14.37969 6.873435 18.64913 8.672565 -4.269443      11.06605 
1 1 1 -20 28 32 o 25.05312 8.358510 39.91476       24.03704 54.43104       29.50732 11.28000       41.44279 28.35939 9.252181 21.15750 9.524390 7.201883       13.27844 
1 1 1 -20 28 33 o 20.33936 7.933689 22.10746       22.79736 18.40978       28.05849 29.29000       39.10559 20.25305 8.466151 23.19742 9.861009 -2.944366      12.99674 
1 1 1 -20 28 34 o 19.40889 7.391824 19.99470       19.45408 33.39598       27.48224 6.534795       27.54230 23.26497 8.802968 18.15075 7.990376 5.114220       11.88858 
1 1 1 -20 28 35 o 18.57838 8.110601 8.997767       27.85140 0.000000       0.000000 8.997767       27.85140 ?        ?        18.57838 8.110601 ?              ?        
1 1 1 -20 28 36 o 40.69920 7.023554 98.10489       26.96926 51.84000       54.09382 113.4089       31.11171 26.43788 11.42387 43.14364 7.647106 -16.70576      13.74711 
1 1 1 -20 28 37 o 17.28534 7.586462 5.795406       24.65693 26.85000       52.35342 -0.2059714     27.95098 23.56903 10.64878 17.14423 7.760014 6.424805       13.17628 
1 1 1 -20 28 38 o 12.97303 6.056991 -11.07743      18.97222 -3.717497      26.18422 -19.21202      27.52772 16.19557 7.400453 14.75554 7.011991 1.440027       10.19484 
1 1 1 -20 28 39 o 22.43488 7.655990 31.43074       20.16645 27.80910       28.14648 35.25103       28.90810 21.68651 8.701344 23.26571 8.972648 -1.579199      12.49887 
1 1 1 -20 28 40 o 32.40328 6.837772 63.48937       21.00483 65.46825       28.73543 61.21879       30.78053 30.58568 8.998385 28.96578 9.449661 1.619898       13.04864 
1 1 1 -20 28 41 o 19.32602 7.434969 21.37167       19.81433 26.65627       26.93564 15.13963       29.25069 21.02791 8.485805 19.19323 8.346379 1.834677       11.90256 
1 1 1 -20 29 1  o 67.08695 5.275809 236.0773       34.36585 0.000000       0.000000 236.0773       34.36585 ?        ?        67.08695 5.275809 ?              ?        
1 1 1 -20 29 2  o 26.34869 7.069876 39.38006       18.61118 0.000000       0.000000 39.38006       18.61118 ?        ?        26.34869 7.069876 ?              ?        
1 1 1 -20 29 3  o 40.68799 6.241552 90.02702       24.06576 0.000000       0.000000 90.02702       24.06576 ?        ?        40.68799 6.241552 ?              ?        
1 1 1 -20 29 4  o 36.01183 9.302975 79.35560       33.02328 40.54000       57.68296 98.28000       40.27684 28.14894 11.97150 39.27103 10.33832 -11.12209      15.81764 
1 1 1 -20 29 5  o 69.37865 4.267138 246.8428       28.83782 107.0000       62.98654 283.9307       32.43724 37.50097 13.47481 74.25003 4.484045 -36.74906      14.20131 
1 1 1 -20 29 6  o 36.91290 5.643129 73.11779       19.74285 50.45526       34.49765 84.15530       24.07525 28.64804 10.00263 39.10924 6.518357 -10.46120      11.93907 
1 1 1 -20 29 7  o 11.58573 5.549042 -21.57190      17.96068 -68.77085      31.67624 0.7926193      21.80456 12.81259 6.379217 16.37478 7.161868 -3.562191      9.590973 
1 1 1 -20 29 8  o 31.86025 6.614909 56.62967       19.95338 29.90131       34.14796 70.48686       24.58760 24.30588 9.639744 35.14914 7.381824 -10.84327      12.14150 
1 1 1 -20 29 9  o 19.37182 7.246084 18.05166       18.50407 10.04018       31.48187 22.28028       22.87195 20.39912 8.763756 21.20215 8.028841 -0.8030319     11.88552 
1 1 1 -20 29 10 o 15.19191 6.617807 0.7084218      18.45651 0.1107347      31.57407 1.018652       22.74762 18.92881 8.432165 16.66643 7.301611 2.262388       11.15414 
1 1 1 -20 29 11 o 15.28015 6.654364 0.8954911      18.64983 -49.68660      32.13893 26.57554       22.89976 14.11143 6.910701 22.25359 8.107011 -8.142159      10.65277 
1 1 1 -20 29 12 o 13.41941 6.161231 -9.273983      18.44091 -54.75571      31.13794 15.29591       22.88617 13.46036 6.633457 19.49619 7.838017 -6.035828      10.26826 
1 1 1 -20 29 13 o 28.83794 8.889403 50.90431       27.57325 13.44076       33.39839 131.1000       48.86485 21.20277 9.066057 44.05069 11.28381 -22.84792      14.47473 
1 1 1 -20 29 14 o 31.23456 6.933413 55.55217       20.64458 36.62820       31.79549 69.34492       27.14469 25.22369 9.485168 34.07642 8.231331 -8.852730      12.55879 
1 1 1 -20 29 15 o 29.19692 7.229270 49.27933       20.55010 25.50376       30.95248 68.02051       27.48074 22.85468 9.140170 33.60985 8.382021 -10.75517      12.40165 
1 1 1 -20 29 16 o 43.10449 5.306128 99.11255       21.91562 65.13691       32.29175 128.1248       29.83998 31.94341 9.574441 48.14715 6.497406 -16.20374      11.57092 
1 1 1 -20 29 17 o 22.32905 7.736573 27.98107       20.61743 29.49888       30.24043 26.66276       28.18307 23.48956 9.144604 22.67811 8.828238 0.8114471      12.71069 
1 1 1 -20 29 18 o 29.51880 8.252522 52.87708       24.76760 8.033628       30.93159 133.0000       41.34577 19.70304 8.575282 46.08621 9.481958 -26.38317      12.78448 
1 1 1 -20 29 19 o 13.71612 6.375622 -12.43770      20.65420 13.91387       29.54671 -37.61954      28.88348 20.30630 8.599209 13.90267 6.751007 6.403629       10.93263 
1 1 1 -20 29 20 o 37.24483 7.796654 82.09592       27.51034 -7.548000      58.22432 107.8603       31.21433 22.52691 10.54794 42.90724 7.715842 -20.38032      13.06879 
1 1 1 -20 29 21 o 15.15520 6.857554 -5.017285      21.80736 24.33000       33.03749 -27.67695      29.03019 22.53357 9.282037 14.76547 7.067366 7.768106       11.66636 
1 1 1 -20 29 22 o 14.39455 6.635262 -9.810493      21.68631 19.21000       32.12105 -34.11871      29.39774 21.49013 9.025783 14.28803 6.907705 7.202092       11.36579 
1 1 1 -20 29 23 o 17.92711 7.591564 9.230138       23.02732 20.98509       27.39827 -19.05000      42.49653 21.07051 8.538403 18.78104 8.861575 2.289467       12.30576 
1 1 1 -20 29 24 o 20.88686 7.555963 24.30006       19.84558 9.458292       27.10028 41.46319       29.14265 18.80522 8.105580 25.58005 9.168773 -6.774826      12.23793 
1 1 1 -20 29 25 o 16.56931 6.980400 7.801240       19.30531 0.2568167      26.50824 16.32197       28.17126 17.13273 7.672487 20.09907 8.447783 -2.966345      11.41193 
1 1 1 -20 29 26 o 27.63730 7.278046 45.95615       19.95695 24.50632       28.38097 66.93609       28.06839 21.64018 8.718415 32.26035 8.693754 -10.62017      12.31228 
1 1 1 -20 29 27 o 17.83779 7.187401 13.64685       19.29100 16.79513       27.64724 10.65978       26.93008 19.99739 8.384631 18.78989 8.089349 1.207504       11.65073 
1 1 1 -20 29 28 o 15.61001 7.040560 -2.595487      22.77022 -7.616567      28.32279 6.581000       38.28914 16.45798 7.585135 20.21976 9.123822 -3.761776      11.86501 
1 1 1 -20 29 29 o 36.36573 7.176948 78.32960       24.63946 73.12195       30.48559 88.14000       41.84244 33.24213 9.103390 34.17999 11.00718 -0.9378586     14.28390 
1 1 1 -20 29 30 o 24.11443 8.226741 36.51783       23.28502 27.87928       28.57521 53.59000       40.17107 22.14796 8.807077 27.21504 10.55509 -5.067080      13.74681 
1 1 1 -20 29 31 o 22.13078 8.762988 27.97348       28.17631 27.97348       28.17631 0.000000       0.000000 22.13078 8.762988 ?        ?        ?              ?        
1 1 1 -20 29 32 o 26.44759 8.227828 44.86055       23.55952 57.37545       29.12287 21.16000       40.07741 29.06866 9.163224 22.09109 9.684567 6.977568       13.33250 
1 1 1 -20 29 33 f 18.45910 7.812143 12.36477       24.36052 -12.34000      52.28498 19.21465       27.53137 20.35180 9.669192 20.26443 8.421856 0.8736801E-01  12.82267 
1 1 1 -20 29 34 o 15.36960 7.195141 -13.04215      27.06916 0.000000       0.000000 -13.04215      27.06916 ?        ?        15.36960 7.195141 ?              ?        
1 1 1 -20 29 35 o 33.36435 7.959644 70.23246       25.63000 29.94000       53.46870 82.25242       29.20378 23.90861 10.78565 35.63493 8.493320 -11.72632      13.72832 
1 1 1 -20 29 36 o 19.79336 7.443616 21.84775       19.58207 6.349047       26.97834 39.10542       28.46812 17.85830 7.882986 24.34882 9.010734 -6.490517      11.97225 
1 1 1 -20 29 37 o 13.76683 6.286827 -5.200078      18.85926 -18.93623      26.23225 9.495137       27.13258 14.36591 6.832024 18.27557 7.991256 -3.909661      10.51365 
1 1 1 -20 29 38 o 14.66607 6.545166 -0.2713286E-02 19.11395 -11.68714      26.18508 13.32425       27.96506 15.08034 7.065185 18.93709 8.198314 -3.856749      10.82262 
1 1 1 -20 29 39 o 27.47010 7.412468 47.97233       20.38863 30.97382       27.94375 67.32351       29.81487 22.04799 8.727845 30.65325 9.202721 -8.605253      12.68327 
1 1 1 -20 29 40 o 13.48346 6.215083 -6.425773      19.02447 11.12913       25.63353 -27.95281      28.38582 17.96091 7.811863 13.93793 6.750292 4.022985       10.32432 
1 1 1 -20 30 1  o 21.27633 8.438461 20.72619       26.16808 0.000000       0.000000 20.72619       26.16808 ?        ?        21.27633 8.438461 ?              ?        
1 1 1 -20 30 2  o 35.55416 7.672814 73.34396       25.91821 7.741000       58.99137 89.03678       28.85210 24.44214 11.14541 39.17701 7.798135 -14.73487      13.60261 
1 1 1 -20 30 3  o 25.59391 7.234261 37.72142       18.92366 -74.11000      57.49641 51.30725       20.04019 18.60625 9.138693 30.01708 6.956798 -11.41083      11.48533 
1 1 1 -20 30 4  o 53.33232 4.236128 146.5911       21.93237 115.0000       62.40080 151.0437       23.42709 38.20984 13.44446 53.98620 4.473449 -15.77636      14.16916 
1 1 1 -20 30 5  o 43.67311 5.647377 102.4309       23.57701 49.58000       59.06084 112.4498       25.71483 28.84688 12.18402 45.60717 5.898282 -16.76029      13.53662 
1 1 1 -20 30 6  o 36.13973 6.687207 73.03503       22.78465 -14.80000      58.95622 88.45722       24.70408 22.54396 10.57452 39.94976 6.543908 -17.40580      12.43556 
1 1 1 -20 30 7  o 39.00389 6.649811 84.75608       24.47798 29.66000       59.92899 95.78835       26.81693 26.59510 11.74388 41.35206 6.865993 -14.75696      13.60370 
1 1 1 -20 30 8  o 46.22966 4.934098 112.4600       21.98249 33.13870       34.35868 167.4307       28.60269 24.71449 9.710418 56.23705 5.257028 -31.52257      11.04213 
1 1 1 -20 30 9  o 31.20247 8.567966 59.28072       26.96321 33.18006       33.72789 105.5000       44.88228 24.63296 9.637938 39.27674 11.15450 -14.64378      14.74153 
1 1 1 -20 30 10 o 68.23943 3.839368 237.8532       25.54148 169.1324       38.32525 292.7626       34.25818 54.56302 7.363770 74.97060 4.691913 -20.40759      8.731504 
1 1 1 -20 30 11 o 28.27863 7.282280 46.43916       20.27867 32.23984       31.42806 56.56773       26.54349 24.21732 9.351330 30.44959 8.554268 -6.232269      12.67371 
1 1 1 -20 30 12 o 13.67037 6.245868 -7.883389      18.64430 -4.449978      29.25677 -10.23116      24.19311 17.57600 7.948910 15.30945 7.039286 2.266550       10.61775 
1 1 1 -20 30 13 o 23.10757 7.523955 30.64415       19.51834 10.55642       30.42470 44.69370       25.44438 20.03382 8.611208 27.10356 8.567769 -7.069738      12.14741 
1 1 1 -20 30 14 o 16.15695 6.929425 4.175826       19.61953 3.781566       29.40086 4.492334       26.34275 18.72591 8.249114 18.09340 7.893580 0.6325035      11.41738 
1 1 1 -20 30 15 o 27.92365 7.473184 45.98782       20.82809 23.01007       31.58900 63.65978       27.70285 22.27660 9.115179 32.09985 8.631069 -9.823248      12.55316 
1 1 1 -20 30 16 o 28.85009 8.065413 50.50164       23.65748 52.24548       31.51398 48.25000       35.80963 28.45938 9.571700 27.38600 10.11118 1.073383       13.92313 
1 1 1 -20 30 17 o 14.97730 6.879062 -9.152465      23.01760 -23.30189      29.18071 14.15000       37.44790 15.25941 7.242195 21.64026 9.426678 -6.380853      11.88746 
1 1 1 -20 30 18 o 35.63057 7.630908 75.14250       25.81173 92.55383       32.39894 44.89000       42.70666 38.59567 8.775283 26.69934 10.71630 11.89633       13.85080 
1 1 1 -20 30 19 o 38.48688 6.741557 84.38525       24.47177 15.72000       39.60335 126.7977       31.12507 22.01899 9.640725 47.11925 6.957487 -25.10026      11.88908 
1 1 1 -20 30 20 o 35.05849 7.222756 71.78829       23.96062 58.80000       37.66735 80.61577       31.05326 29.24702 10.43061 35.69487 8.914915 -6.447857      13.72128 
1 1 1 -20 30 21 o 30.29702 7.447687 54.89876       21.92813 53.28986       31.52313 56.40720       30.52316 28.32886 9.573166 29.21783 9.400437 -0.8889675     13.41692 
1 1 1 -20 30 22 o 21.19317 7.641672 25.42198       20.27778 36.31185       28.09138 13.57401       29.30109 24.28867 8.957614 19.86776 8.493402 4.420912       12.34410 
1 1 1 -20 30 23 o 15.94940 6.892595 4.368798       19.69652 -17.47674      27.14304 28.66708       28.62628 15.04241 7.092840 22.49897 8.856298 -7.456568      11.34647 
1 1 1 -20 30 24 o 33.84910 6.782779 66.73132       21.68936 81.46992       31.04876 52.68451       30.31132 35.40976 8.954041 27.98137 9.387074 7.428385       12.97274 
1 1 1 -20 30 25 o 37.70737 8.667311 90.89957       31.31940 90.89957       31.31940 0.000000       0.000000 37.70737 8.667311 ?        ?        ?              ?        
1 1 1 -20 30 26 o 30.22761 8.090944 57.56423       24.41172 16.67643       29.62826 144.0000       43.07804 20.23253 8.591317 46.27097 9.815810 -26.03843      13.04457 
1 1 1 -20 30 27 o 33.27367 6.675190 64.43822       20.98366 65.04991       30.02825 63.85445       29.33466 31.12478 9.209487 30.95083 9.087941 0.1739483      12.93852 
1 1 1 -20 30 28 o 44.95016 5.976398 113.4261       25.64428 112.0285       31.44769 116.2000       44.30473 42.87950 7.778999 39.39076 11.04655 3.488739       13.51070 
1 1 1 -20 30 29 o 14.18831 6.589611 -10.45013      21.99294 5.066576       26.80118 -42.44000      38.48224 17.75061 7.845285 15.74888 7.680023 2.001733       10.97867 
1 1 1 -20 30 30 o 22.01514 8.712541 27.96624       27.83904 27.96624       27.83904 0.000000       0.000000 22.01514 8.712541 ?        ?        ?              ?        
1 1 1 -20 30 31 o 15.30379 6.726961 2.022827       19.45351 2.598276       26.44782 1.344511       28.71461 17.25290 7.699398 17.58830 7.921929 -0.3353920     11.04707 
1 1 1 -20 30 32 o 17.64648 7.850473 4.096093       27.27488 0.000000       0.000000 4.096093       27.27488 ?        ?        17.64648 7.850473 ?              ?        
1 1 1 -20 30 33 o 20.90425 8.567595 23.00060       27.96481 0.000000       0.000000 23.00060       27.96481 ?        ?        20.90425 8.567595 ?              ?        
1 1 1 -20 30 34 o 18.91339 7.877952 15.59132       24.16760 34.25000       50.65657 10.09286       27.49893 24.10808 10.71345 18.51609 8.071683 5.591995       13.41380 
1 1 1 -20 30 35 o 14.93748 6.607293 1.151251       19.04715 1.170335       26.70856 1.131501       27.17086 16.98101 7.645015 17.08158 7.698776 -0.1005611     10.84977 
1 1 1 -20 30 36 o 14.90065 6.626137 0.7157906      19.41009 1.847008       27.62850 -0.3866598     27.27494 17.17409 7.749830 16.78980 7.625756 0.3842869      10.87253 
1 1 1 -20 30 37 o 29.93543 7.162523 55.53551       20.70597 62.90257       29.48355 48.36589       29.08581 29.67471 9.199878 26.03050 9.177189 3.644209       12.99456 
1 1 1 -20 30 38 f 15.24682 6.706547 3.503728       19.36632 -12.47527      26.82778 20.89107       27.98508 15.01489 7.071142 19.98528 8.411065 -4.970394      10.98850 
1 1 1 -20 30 39 o 35.63570 7.403763 80.07711       24.98063 58.71690       29.69412 131.8000       46.20715 28.10128 9.287505 39.58629 11.34267 -11.48501      14.65994 
1 1 1 -20 31 1  o 55.72670 4.174850 160.1581       22.60695 109.0000       60.56158 168.4409       24.36842 36.96944 13.22131 56.99597 4.402033 -20.02653      13.93488 
1 1 1 -20 31 2  o 37.39267 7.601202 81.27946       26.87192 121.4000       58.31357 70.46281       30.27839 39.49571 13.01347 33.65023 9.012552 5.845478       15.82961 
1 1 1 -20 31 3  o 26.97550 8.619870 44.22917       25.69652 18.51000       56.65322 50.89093       28.83304 24.92003 11.18377 28.56486 9.131124 -3.644831      14.43794 
1 1 1 -20 31 4  o 44.27799 6.560230 108.9952       27.57348 69.66000       58.94986 120.0113       31.19653 31.05373 12.54584 45.98956 7.163354 -14.93583      14.44686 
1 1 1 -20 31 5  o 52.83179 4.400649 144.9081       22.55071 51.88000       59.19958 160.6982       24.38955 28.73823 12.17107 55.56280 4.523600 -26.82457      12.98453 
1 1 1 -20 31 6  o 28.96124 7.066884 48.41781       19.85344 2.530000       56.23082 54.95277       21.22009 23.33040 10.72893 30.83641 7.167007 -7.506010      12.90255 
1 1 1 -20 31 7  o 37.71021 6.974129 80.79671       24.79480 -41.91000      57.42263 108.9181       27.48955 20.20426 9.739769 44.24724 6.544229 -24.04298      11.73414 
1 1 1 -20 31 8  o 43.72363 6.238400 105.3768       25.94284 22.00000       58.02318 126.2092       29.00332 25.28315 11.33469 47.80331 6.355799 -22.52016      12.99505 
1 1 1 -20 31 9  o 61.09136 4.204720 192.8095       24.99000 172.2000       62.66293 196.7071       27.25079 47.49968 13.06899 61.42267 4.565207 -13.92299      13.84340 
1 1 1 -20 31 10 o 25.44292 7.542381 38.17047       20.12551 71.83000       56.68498 33.31556       21.52804 31.11831 12.39439 23.85521 7.908885 7.263102       14.70276 
1 1 1 -20 31 11 o 22.02079 8.529266 25.33872       26.20466 10.55000       56.50085 29.39161       29.57823 23.85201 10.88830 23.23991 9.044913 0.6120949      14.15505 
1 1 1 -20 31 12 o 60.07502 5.026607 191.2547       29.28728 112.6000       60.69727 215.1245       33.43723 36.76213 13.22538 63.31900 5.447896 -26.55688      14.30350 
1 1 1 -20 31 13 o 50.29948 4.652814 132.9403       22.64834 80.98587       32.69041 180.8963       31.40730 35.56949 9.289847 57.86238 5.615881 -22.29289      10.85538 
1 1 1 -20 31 14 o 27.51556 7.426141 44.94960       20.46158 43.62159       29.84946 46.12680       28.10349 26.33982 9.295952 27.03998 9.038257 -0.7001629     12.96552 
1 1 1 -20 31 15 o 22.77456 8.121842 30.05201       22.83750 24.63280       29.95835 37.57000       35.28586 22.15198 8.945770 25.04760 9.840786 -2.895617      13.29917 
1 1 1 -20 31 16 f 21.55968 8.297918 24.81372       24.68839 46.42685       29.61935 -24.38000      44.68600 26.90260 9.275250 18.77212 8.924490 8.130482       12.87155 
1 1 1 -20 31 17 o 34.89804 8.196221 74.56432       27.51756 -4.009000      57.23878 98.18301       31.38201 22.36668 10.46818 40.16219 8.258797 -17.79551      13.33381 
1 1 1 -20 31 18 o 17.76029 7.491468 9.590645       22.28019 4.591000       34.98820 13.00088       28.89644 19.67378 8.812239 19.76125 8.440856 -0.8746719E-01 12.20261 
1 1 1 -20 31 19 o 19.02089 7.517178 17.00761       20.69778 24.26150       29.71893 10.17507       28.84289 21.83433 8.876204 19.22230 8.323885 2.612030       12.16857 
1 1 1 -20 31 20 o 28.97392 7.524787 51.02317       21.52843 29.58775       30.38820 72.62188       30.50372 22.83052 9.080972 33.23414 9.108068 -10.40362      12.86161 
1 1 1 -20 31 21 o 25.18184 7.695104 39.02177       20.71827 36.20584       29.10190 41.91571       29.50231 24.08553 9.070768 25.38887 9.208748 -1.303349      12.92594 
1 1 1 -20 31 22 o 25.07012 7.685232 38.72639       20.64423 23.86045       28.99544 54.00949       29.39945 21.48036 8.754349 28.34496 9.234429 -6.864603      12.72452 
1 1 1 -20 31 23 o 37.20123 6.211641 78.71441       21.82182 79.40352       30.68814 78.00958       31.03623 34.74432 8.964189 34.26956 9.100405 0.4747620      12.77396 
1 1 1 -20 31 24 o 16.35087 6.997815 6.452792       19.93118 -0.3131438     27.92822 13.47539       28.45300 17.26014 7.789922 19.46955 8.347380 -2.209415      11.41760 
1 1 1 -20 31 25 o 21.65364 7.765397 27.61205       20.90714 27.48725       30.11256 27.72820       29.05035 22.22333 8.970840 22.18514 8.860758 0.3818893E-01  12.60908 
1 1 1 -20 31 26 f 17.07250 7.187859 9.528400       20.44938 31.71391       30.22278 -9.204923      27.77199 22.95766 9.080305 16.03052 7.431314 6.927145       11.73356 
1 1 1 -20 31 27 o 30.59645 8.081604 59.39710       24.55952 24.57328       30.47638 123.9000       41.47771 21.59490 8.907169 42.00827 10.19237 -20.41337      13.53596 
1 1 1 -20 31 28 o 36.49584 7.504571 81.11154       25.91283 82.89202       31.88818 77.65000       44.46262 35.07830 9.181806 30.98770 11.29532 4.090601       14.55643 
1 1 1 -20 31 29 o 23.41585 9.080274 34.44475       29.72614 34.44475       29.72614 0.000000       0.000000 23.41585 9.080274 ?        ?        ?              ?        
1 1 1 -20 31 30 o 26.98050 8.292323 47.27782       24.01517 40.19185       29.07835 62.48000       42.59151 24.65031 9.109598 28.34225 10.90140 -3.691935      14.20652 
1 1 1 -20 31 31 o 18.90088 7.554891 17.57207       21.13521 -18.55000      31.11275 48.52437       28.80040 15.79436 7.490853 26.60741 9.147205 -10.81304      11.82304 
1 1 1 -20 31 32 o 13.85013 6.551653 -16.33893      23.50521 -12.19000      50.00052 -17.51593      26.63138 19.78259 9.414935 14.66111 6.946643 5.121477       11.70029 
1 1 1 -20 31 33 o 11.64983 5.743392 -39.63149      23.41802 -111.0000      51.51670 -21.04326      26.29140 14.95505 7.540876 14.19722 6.776339 0.7578325      10.13822 
1 1 1 -20 31 34 o 28.03640 7.407289 49.27044       20.62874 23.71446       29.67604 73.16558       28.69555 20.97996 8.733494 32.92783 8.753459 -11.94787      12.36515 
1 1 1 -20 31 35 o 16.88660 7.065853 10.85333       19.57322 14.57489       28.35056 7.463827       27.05622 19.14494 8.271420 17.79874 7.873787 1.346207       11.41985 
1 1 1 -20 31 36 o 10.99824 5.361504 -26.14079      18.70910 -10.05942      26.42311 -42.30902      26.49438 15.21190 7.117247 12.31256 6.077450 2.899338       9.358985 
1 1 1 -20 31 37 o 15.51411 6.748148 5.532365       19.13086 -20.98781      26.72695 33.39626       27.39568 14.06004 6.743392 22.31006 8.698607 -8.250019      11.00632 
1 1 1 -20 32 1  o 32.06733 6.456066 58.11539       19.56260 33.63000       55.27654 61.62125       20.91627 25.97791 11.38151 32.86060 6.729465 -6.882687      13.22212 
1 1 1 -20 32 2  o 32.06348 6.540545 58.30561       19.83104 30.95000       55.89075 62.24559       21.21113 25.72234 11.35064 32.98225 6.796350 -7.259903      13.22979 
1 1 1 -20 32 3  o 35.15621 6.302831 69.18379       20.89246 12.12000       55.64108 78.54972       22.54190 23.79412 10.84003 37.45401 6.377026 -13.65989      12.57667 
1 1 1 -20 32 4  o 32.26621 8.384619 64.09357       26.71928 42.78000       56.51340 70.22952       30.32243 27.04136 11.68057 33.22602 9.070893 -6.184660      14.78908 
1 1 1 -20 32 5  f 39.78468 7.175785 91.29922       26.91631 70.88000       56.00846 97.43134       30.69298 30.65613 12.28326 40.35573 8.052482 -9.699598      14.68744 
1 1 1 -20 32 6  o 32.45280 6.729900 60.24792       20.67597 -21.45000      55.58579 73.36655       22.27422 20.99858 9.974539 36.02357 6.558530 -15.02499      11.93758 
1 1 1 -20 32 7  o 37.76981 6.021439 78.91390       21.51445 12.53000       56.28606 90.27227       23.28238 23.84430 10.87819 40.39771 6.075936 -16.55341      12.46002 
1 1 1 -20 32 8  o 31.69296 7.916093 60.65554       24.48318 23.79000       57.02919 68.98536       27.10844 24.97506 11.21366 33.54681 8.301195 -8.571743      13.95191 
1 1 1 -20 32 9  o 22.91630 8.236300 30.38670       23.53408 -41.85000      56.60460 45.48294       25.87661 19.76626 9.563232 26.98659 8.652776 -7.220333      12.89674 
1 1 1 -20 32 10 o 22.05426 7.740460 27.85362       20.67507 -96.65000      57.83535 46.09549       22.13794 17.20109 8.573128 27.55947 7.836335 -10.35838      11.61493 
1 1 1 -20 32 11 o 34.25591 6.873488 67.71253       22.24506 -15.45000      58.09229 82.00219       24.08050 21.61686 10.24748 37.88743 6.740336 -16.27058      12.26552 
1 1 1 -20 32 12 o 47.57914 5.188125 121.5539       23.77104 40.18000       60.84477 136.2116       25.82334 26.60934 11.78771 50.26951 5.329171 -23.66017      12.93639 
1 1 1 -20 32 13 o 24.17782 8.470669 35.40635       24.75266 17.43000       57.87274 39.43111       27.38379 24.19920 11.03640 25.19273 8.902607 -0.9935341     14.17951 
1 1 1 -20 32 14 o 17.36854 8.055418 -10.73335      32.69139 51.02000       55.61272 -43.34000      40.41076 27.50942 11.72894 16.39314 7.966108 11.11627       14.17840 
1 1 1 -20 32 15 o 21.82230 7.887394 27.38743       21.61873 -24.44000      54.20140 37.19246       23.57518 20.22661 9.674711 24.56633 8.278827 -4.339716      12.73338 
1 1 1 -20 32 16 o 14.46869 6.677897 -9.351670      22.06591 0.000000       0.000000 -9.351670      22.06591 ?        ?        14.46869 6.677897 ?              ?        
1 1 1 -20 32 17 o 17.39698 7.431510 8.237355       22.40172 0.000000       0.000000 8.237355       22.40172 ?        ?        17.39698 7.431510 ?              ?        
1 1 1 -20 32 18 o 18.13086 7.366126 13.96743       20.45238 72.22000       52.59706 3.590302       22.19946 29.73256 11.90668 16.45719 7.211437 13.27537       13.92027 
1 1 1 -20 32 19 o 23.41294 7.706440 33.44810       20.45181 62.14000       52.91851 28.41003       22.17482 28.25771 11.70398 21.95008 7.980454 6.307629       14.16583 
1 1 1 -20 32 20 o 20.22584 8.196256 20.24108       25.24697 19.45000       51.09229 20.49664       29.04021 23.04329 10.45459 20.76819 8.641903 2.275097       13.56395 
1 1 1 -20 32 21 o 24.41628 8.626450 38.14310       25.71021 14.70000       51.13290 46.07541       29.74354 22.54238 10.31609 26.16805 9.275349 -3.625673      13.87277 
1 1 1 -20 32 22 o 23.16038 8.564068 33.06003       25.70660 10.41000       52.33683 40.26193       29.51186 22.30221 10.29021 24.84585 9.178075 -2.543644      13.78860 
1 1 1 -20 32 23 o 43.03190 6.808378 107.7880       27.72433 87.37000       53.57392 115.2559       32.40015 31.69446 12.21706 43.34795 7.928176 -11.65350      14.56408 
1 1 1 -20 32 24 o 21.85708 8.431761 28.03895       25.53304 0.3335000      51.63257 37.00732       29.37637 21.19824 9.928100 23.98297 9.095180 -2.784735      13.46438 
1 1 1 -20 32 25 o 31.47844 7.171239 59.80194       21.60103 74.91916       30.96907 45.47896       30.14455 33.24219 9.203699 25.88167 9.319087 7.360519       13.09784 
1 1 1 -20 32 26 o 22.28447 7.734089 30.37079       20.60812 26.71275       29.71909 33.75890       28.60159 21.82096 8.874203 23.19793 8.930607 -1.376965      12.58996 
1 1 1 -20 32 27 o 15.72026 7.118730 -2.446863      23.55428 -20.44426      29.73483 27.87000       38.59248 15.27800 7.268084 22.71202 9.729248 -7.434012      12.14427 
1 1 1 -20 32 28 o 22.27082 9.418148 26.85946       35.36148 34.92000       57.84573 22.05000       44.68254 24.61892 11.15137 22.43501 10.01010 2.183912       14.98517 
1 1 1 -20 32 29 o 18.82184 9.119477 -31.51000      51.94822 -31.51000      51.94822 0.000000       0.000000 18.82184 9.119477 ?        ?        ?              ?        
1 1 1 -20 32 30 o 37.95004 8.596047 94.15107       31.18806 0.000000       0.000000 94.15107       31.18806 ?        ?        37.95004 8.596047 ?              ?        
1 1 1 -20 32 31 o 19.40249 8.001909 18.02493       24.59242 -69.92000      50.99417 44.67732       28.07263 16.49557 8.193038 25.54913 9.015196 -9.053553      12.18194 
1 1 1 -20 32 32 o 25.53889 8.527322 43.78304       25.01694 -23.41000      52.45868 63.56257       28.46185 19.18953 9.265155 30.34634 8.962697 -11.15681      12.89081 
1 1 1 -20 32 33 o 17.35172 7.547493 8.521311       23.93179 -14.32000      51.15101 14.92242       27.07830 19.47407 9.337094 19.01623 8.147930 0.4578438      12.39234 
1 1 1 -20 32 34 o 18.29404 7.479152 16.25184       21.24450 13.90000       50.55462 16.75623       23.41203 21.41003 9.959661 18.71421 7.770973 2.695818       12.63261 
1 1 1 -20 32 35 o 22.35983 7.864496 32.72598       21.35087 70.80000       51.79454 24.93171       23.43460 27.25455 11.45492 20.35350 8.012669 6.901056       13.97920 
1 1 1 -20 32 36 o 11.30016 5.514242 -27.26783      19.93233 -0.2465000E-01 49.87986 -32.44487      21.74389 19.90188 9.452193 11.48372 5.636240 8.418163       11.00505 
1 1 1 -20 33 1  o 37.74075 5.847254 78.73428       20.90258 58.44000       56.29455 81.97968       22.51196 28.50364 11.95866 38.24098 6.228359 -9.737337      13.48340 
1 1 1 -20 33 2  o 22.29014 7.559010 28.95428       19.65476 -69.00000      54.88888 43.36166       21.05063 17.85052 8.798939 26.76837 7.651341 -8.917849      11.66038 
1 1 1 -20 33 3  o 30.66581 7.082467 55.21140       20.83037 14.59000       55.62503 61.83705       22.46502 23.67490 10.80597 32.36494 7.269419 -8.690035      13.02357 
1 1 1 -20 33 4  o 25.51797 7.658160 39.33440       20.64950 22.64000       54.61705 42.11874       22.30512 24.35021 10.95014 26.21440 7.979180 -1.864189      13.54891 
1 1 1 -20 33 5  o 29.15563 8.541161 53.66803       25.93655 67.16000       55.49406 49.89714       29.33804 29.65648 12.10181 27.70199 9.234115 1.954494       15.22244 
1 1 1 -20 33 6  o 15.96263 7.262553 -5.428923      24.87129 -30.71000      54.18274 1.319945       27.99488 19.91944 9.566129 17.75970 7.923753 2.159742       12.42162 
1 1 1 -20 33 7  o 22.12531 7.861880 28.25583       21.38075 64.67000       57.37835 22.38442       23.04008 29.26352 12.15970 20.73408 8.006635 8.529440       14.55900 
1 1 1 -20 33 8  o 39.64838 7.004560 90.96574       26.19009 -6.679000      57.37627 116.6655       29.43557 22.04250 10.36839 45.10036 6.885785 -23.05787      12.44659 
1 1 1 -20 33 9  o 63.30032 4.947452 213.3610       30.41111 121.7000       63.23522 240.9392       34.68562 36.70466 13.45596 66.84011 5.346124 -30.13545      14.47908 
1 1 1 -20 33 10 o 56.59277 5.373751 173.4647       29.41093 124.3000       63.16630 187.0737       33.23308 36.92068 13.46227 58.20770 5.914952 -21.28702      14.70440 
1 1 1 -20 33 11 o 22.02515 8.498132 27.24021       25.93997 -57.77000      55.81583 50.65936       29.29594 18.42099 9.038870 27.67988 9.227505 -9.258892      12.91697 
1 1 1 -20 33 12 o 23.99447 9.524113 34.77357       33.35975 39.18000       56.53693 32.42000       41.31930 25.76224 11.39000 24.07590 10.18105 1.686348       15.27697 
1 1 1 -20 33 13 o 17.29621 7.308632 9.201849       21.26700 16.73000       55.11649 7.884960       23.05218 23.33803 10.69152 17.46473 7.501100 5.873304       13.06044 
1 1 1 -20 33 14 o 18.15693 7.448398 13.53901       21.16031 41.07000       53.62914 8.462572       23.02869 25.59900 11.21319 17.53017 7.512656 8.068825       13.49724 
1 1 1 -20 33 15 o 18.19348 7.603694 12.35591       22.62622 0.000000       0.000000 12.35591       22.62622 ?        ?        18.19348 7.603694 ?              ?        
1 1 1 -20 33 16 o 25.70144 7.786858 41.19496       21.27648 -23.04000      53.01485 53.52738       23.22929 19.80136 9.497099 29.21027 7.924810 -9.408905      12.36922 
1 1 1 -20 33 17 f 18.40719 7.481458 14.98813       21.10800 51.72000       50.75705 7.307291       23.21022 26.62737 11.27314 17.29758 7.478706 9.329792       13.52829 
1 1 1 -20 33 18 o 33.01616 7.168233 65.43520       22.50014 53.78000       52.12690 68.10396       24.94348 26.84211 11.39668 33.10509 7.822534 -6.262978      13.82304 
1 1 1 -20 33 19 o 28.26589 7.717917 49.82245       21.94957 39.62000       54.09496 51.83326       24.01538 25.23587 11.15002 28.45753 8.184539 -3.221664      13.83147 
1 1 1 -20 33 20 o 13.60501 6.326134 -10.62245      20.36181 -98.08000      51.80053 5.360416       22.14435 15.64790 7.845620 16.68450 7.258684 -1.036596      10.68842 
1 1 1 -20 33 21 o 12.50693 5.964586 -18.93569      20.28118 -31.52000      49.46172 -16.39225      22.23647 18.53450 8.960549 13.49133 6.379074 5.043167       10.99927 
1 1 1 -20 33 22 f 28.98624 7.531566 52.12971       21.56040 61.30000       50.71478 50.10667       23.82017 27.65608 11.45651 27.85119 8.192408 -0.1951122     14.08428 
1 1 1 -20 33 23 o 30.74357 7.344995 57.84169       21.79976 24.76000       51.22113 65.15949       24.09050 23.29303 10.52768 32.35226 7.716040 -9.059233      13.05256 
1 1 1 -20 33 24 o 21.01872 7.831354 25.89717       21.57176 14.58000       52.52942 28.19288       23.65873 22.36300 10.31499 21.70417 8.177588 0.6588345      13.16328 
1 1 1 -20 33 25 o 24.74231 7.938561 38.97703       21.77844 70.03000       52.89286 32.63773       23.89825 28.62819 11.76351 22.83367 8.287231 5.794516       14.38952 
1 1 1 -20 33 26 o 17.36007 7.522761 7.863501       23.59163 5.951000       50.45113 8.398726       26.68938 21.35264 9.938532 18.10009 7.919858 3.252554       12.70821 
1 1 1 -20 33 27 o 17.70669 7.632086 9.411931       24.02662 -28.33000      51.34309 19.99442       27.18716 18.87728 9.127027 20.18045 8.376463 -1.303171      12.38821 
1 1 1 -20 33 28 o 29.06569 9.019270 58.48871       28.33001 0.000000       0.000000 58.48871       28.33001 ?        ?        29.06569 9.019270 ?              ?        
1 1 1 -20 33 29 o 16.57970 7.494903 0.4046126E-01  25.97517 0.000000       0.000000 0.4046126E-01  25.97517 ?        ?        16.57970 7.494903 ?              ?        
1 1 1 -20 33 30 o 13.81839 6.503298 -13.70148      22.62436 0.000000       0.000000 -13.70148      22.62436 ?        ?        13.81839 6.503298 ?              ?        
1 1 1 -20 33 31 o 22.38671 9.024336 31.84683       30.42659 -32.47000      52.10854 65.12000       37.47949 18.41891 8.972033 28.62025 10.37954 -10.20135      13.71977 
1 1 1 -20 33 32 o 15.51572 7.076107 -2.376203      23.79005 81.74000       51.06196 -25.69744      26.88645 29.28148 11.72973 13.75235 6.638239 15.52914       13.47787 
1 1 1 -20 33 33 o 15.93525 6.991816 5.306688       20.92889 -32.53000      50.05346 13.32339       23.03962 17.84036 8.712784 17.85972 7.579606 -0.1936150E-01 11.54829 
1 1 1 -20 33 34 o 14.33805 6.550044 -3.281568      20.49551 -62.41000      49.50314 8.950834       22.51596 16.09724 8.008056 16.86650 7.328787 -0.7692566     10.85542 
1 1 1 -20 34 1  o 24.35947 7.644415 36.20004       20.29070 -47.89000      53.75731 50.17058       21.91149 18.55116 9.053277 28.59299 7.670755 -10.04182      11.86601 
1 1 1 -20 34 2  o 34.28933 6.471819 67.47408       20.92547 77.53000       57.73763 65.95350       22.45190 30.35161 12.35959 33.40829 7.085744 -3.056686      14.24666 
1 1 1 -20 34 3  f 37.99177 6.205700 81.61201       22.28144 22.80000       57.00948 92.21550       24.20686 24.11854 10.98189 40.30396 6.345565 -16.18542      12.68338 
1 1 1 -20 34 4  o 33.91153 8.556713 73.37917       28.39786 15.26000       57.28307 92.31702       32.69881 23.44369 10.79838 37.74908 8.980649 -14.30539      14.04482 
1 1 1 -20 34 5  o 17.75387 7.313100 12.15864       20.50772 -35.15000      53.92999 20.15599       22.17344 19.28557 9.331608 19.88949 7.804923 -0.6039219     12.16535 
1 1 1 -20 34 6  o 30.80537 8.789847 62.02974       27.80513 7.144000       56.03095 79.96188       32.02684 22.56276 10.49228 34.63494 9.265927 -12.07218      13.99805 
1 1 1 -20 34 7  o 14.07006 6.697095 -20.89219      25.31617 -14.52000      52.62973 -22.81047      28.87641 20.40650 9.696856 14.93671 7.121626 5.469789       12.03107 
1 1 1 -20 34 8  o 19.96696 8.752316 12.05616       32.72417 -38.21000      53.91806 41.37000       41.17492 18.99629 9.224279 25.18197 10.36653 -6.185686      13.87632 
1 1 1 -20 34 9  o 43.28998 5.664998 103.8798       23.42914 47.86000       55.87601 115.8301       25.80742 26.32000 11.48916 45.48462 5.938268 -19.16461      12.93306 
1 1 1 -20 34 10 o 11.53588 5.817819 -81.95737      30.73879 -44.77000      49.36975 -105.5000      39.28173 17.82211 8.692767 12.75680 6.450598 5.065316       10.82471 
1 1 1 -20 34 11 o 24.53238 9.434881 38.90425       31.90039 22.74000       51.12500 49.21000       40.82207 23.36392 10.54266 26.40598 10.51791 -3.042061      14.89209 
1 1 1 -20 34 12 o 20.20663 8.224444 20.19449       25.55133 84.70000       52.03691 -0.2991155     29.33069 31.34357 12.05128 17.53189 7.940986 13.81168       14.43235 
1 1 1 -20 34 13 o 34.56606 7.703582 73.63852       25.39800 0.000000       0.000000 73.63852       25.39800 ?        ?        34.56606 7.703582 ?              ?        
1 1 1 -20 34 14 o 17.32660 7.562716 6.397852       24.20592 0.000000       0.000000 6.397852       24.20592 ?        ?        17.32660 7.562716 ?              ?        
1 1 1 -20 34 15 o 20.21235 7.815416 22.27529       21.97384 -9.986000      50.13415 29.94666       24.44720 20.19231 9.556679 22.26818 8.328967 -2.075867      12.67682 
1 1 1 -20 34 16 o 22.67395 7.984979 31.54292       22.01505 13.53000       49.80909 35.91615       24.54242 22.20740 10.16988 23.81291 8.426880 -1.605511      13.20753 
1 1 1 -20 34 17 o 18.32570 7.566545 13.99896       22.02319 55.98000       51.16948 4.454249       24.39865 27.07441 11.38279 17.05727 7.514337 10.01714       13.63940 
1 1 1 -20 34 18 o 41.22806 6.140271 96.82619       24.02430 106.0000       55.06267 94.66920       26.69968 33.98888 12.54000 39.85234 7.105175 -5.863468      14.41302 
1 1 1 -20 34 19 o 18.37636 7.564482 14.67460       21.92264 -18.91000      50.90645 22.32115       24.29044 19.51774 9.346498 20.37969 8.114724 -0.8619480     12.37763 
1 1 1 -20 34 20 f 36.27727 6.821469 77.75010       23.33358 28.27000       53.41944 89.41647       25.93892 23.74328 10.73927 38.67879 7.113340 -14.93551      12.88144 
1 1 1 -20 34 21 o 25.58891 7.930760 41.91674       21.91206 11.38000       51.89161 48.54326       24.17290 21.95509 10.17093 27.21685 8.310957 -5.261761      13.13468 
1 1 1 -20 34 22 o 42.03644 5.791677 99.42444       23.19801 98.93000       54.21075 99.53528       25.66676 32.71477 12.36699 41.33603 6.562665 -8.621254      14.00039 
1 1 1 -20 34 23 o 20.63531 7.834274 24.56691       21.81034 71.17000       52.59660 14.88928       23.96817 28.64748 11.74647 18.72374 7.825666 9.923737       14.11455 
1 1 1 -20 34 24 o 19.95265 8.196999 19.86113       25.67547 -12.34000      51.45967 30.53451       29.62664 19.96166 9.514520 22.42135 8.950514 -2.459692      13.06284 
1 1 1 -20 34 25 o 34.45769 8.098915 76.07748       26.85169 65.69000       52.79383 79.70230       31.18683 27.69306 11.59719 34.04309 9.159551 -6.350037      14.77810 
1 1 1 -20 34 26 f 17.44444 7.331626 11.53382       21.21704 55.01000       50.96286 2.418359       23.33552 26.23736 11.20842 16.27253 7.248963 9.964832       13.34826 
1 1 1 -20 34 27 o 16.66802 7.591288 -1.315491      27.26191 0.000000       0.000000 -1.315491      27.26191 ?        ?        16.66802 7.591288 ?              ?        
1 1 1 -20 34 28 o 18.70830 7.833579 15.49952       24.08312 -35.73000      51.84337 29.59660       27.19553 18.27665 8.913016 21.90761 8.629502 -3.630960      12.40605 
1 1 1 -20 34 29 o 26.83806 8.052295 47.71690       22.83183 41.99000       52.53391 49.05054       25.35129 24.32310 10.85316 26.72679 8.563995 -2.403690      13.82509 
1 1 1 -20 34 30 o 25.61040 8.487329 45.21157       24.79294 21.52000       51.49756 52.35971       28.28696 22.07535 10.19332 26.93840 9.068443 -4.863058      13.64333 
1 1 1 -20 34 31 o 25.85344 8.498009 46.69912       24.87227 -46.77000      53.52494 72.44060       28.08917 17.54484 8.655968 32.26910 8.697342 -14.72426      12.27068 
1 1 1 -20 34 32 o 20.11568 8.038697 24.46738       23.92354 0.000000       0.000000 24.46738       23.92354 ?        ?        20.11568 8.038697 ?              ?        
1 1 1 -20 34 33 o 17.50102 8.574886 -32.47000      49.66732 -32.47000      49.66732 0.000000       0.000000 17.50102 8.574886 ?        ?        ?              ?        
1 1 1 -20 35 1  o 47.61757 5.113755 123.1827       23.46187 96.15000       53.42521 129.6418       26.11482 32.94382 12.31450 48.38000 5.619019 -15.43618      13.53589 
1 1 1 -20 35 2  o 27.46775 7.544370 46.75265       20.90253 75.82000       51.15166 40.92584       22.90196 29.95746 11.82427 25.32826 8.142130 4.629200       14.35645 
1 1 1 -20 35 3  o 29.89211 7.320596 54.48127       21.24604 6.820000       49.97245 64.99719       23.47316 21.58810 9.993990 32.57063 7.515479 -10.98253      12.50449 
1 1 1 -20 35 4  o 32.57826 7.141458 63.78819       22.14355 48.29000       51.82736 67.24914       24.49153 26.07605 11.22409 32.94117 7.729613 -6.865116      13.62817 
1 1 1 -20 35 5  o 39.51064 6.011788 88.32108       22.51793 68.12000       51.80866 93.02604       25.00309 28.68694 11.69801 40.02412 6.612863 -11.33718      13.43776 
1 1 1 -20 35 6  f 29.70822 7.467066 54.36229       21.68590 62.55000       51.58990 52.60506       23.89996 27.88269 11.55307 28.63264 8.142468 -0.7499523     14.13411 
1 1 1 -20 35 7  o 34.08700 6.985173 69.23487       22.52229 -56.39000      52.30861 97.82412       24.95380 17.55112 8.639409 41.24191 6.387848 -23.69080      10.74449 
1 1 1 -20 35 8  o 21.09415 9.097489 19.63008       34.17760 18.86000       51.40959 20.24000       45.75238 22.75695 10.38755 22.39251 10.04985 0.3644428      14.45339 
1 1 1 -20 35 9  o 19.90142 8.733768 12.84283       32.67115 -5.536000      52.51223 24.45000       41.73158 20.79380 9.823175 22.54080 9.882045 -1.747002      13.93376 
1 1 1 -20 35 10 o 41.85184 5.911451 98.66214       23.54318 61.34000       54.24164 107.3255       26.13317 27.58482 11.66491 43.24231 6.364319 -15.65749      13.28814 
1 1 1 -20 35 11 o 30.03723 7.765716 56.48382       22.99887 -51.50000      53.25558 81.24005       25.49929 17.97832 8.823179 36.65643 7.362659 -18.67811      11.49162 
1 1 1 -20 35 12 o 31.96430 9.338589 70.29321       31.04226 0.000000       0.000000 70.29321       31.04226 ?        ?        31.96430 9.338589 ?              ?        
1 1 1 -20 35 13 o 15.66665 7.201789 -6.423226      25.30185 11.49000       51.44589 -12.13854      29.05922 22.09542 10.19746 15.97723 7.471585 6.118191       12.64171 
1 1 1 -20 35 14 o 13.74083 6.426760 -12.10573      21.51412 -55.37000      52.26980 -3.281247      23.60646 17.53210 8.631247 15.59011 7.086186 1.941989       11.16747 
1 1 1 -20 35 15 o 31.63920 7.579854 62.21455       23.16597 -61.23000      54.24189 89.75453       25.62009 17.52806 8.659976 38.81351 7.001125 -21.28545      11.13602 
1 1 1 -20 35 16 o 31.41642 7.581687 61.35809       23.04575 61.27000       52.21083 61.37940       25.68311 27.40808 11.50900 30.68684 8.336006 -3.278765      14.21078 
1 1 1 -20 35 17 o 19.85722 7.860727 20.99843       22.66741 -32.35000      50.19599 34.66414       25.40530 18.45629 8.947562 23.28379 8.530104 -4.827497      12.36210 
1 1 1 -20 35 18 o 46.40704 5.617876 120.2539       25.00003 102.4000       53.53107 125.2341       28.27267 33.28346 12.34895 46.59056 6.365903 -13.30711      13.89321 
1 1 1 -20 35 19 f 21.38838 8.049558 27.38169       22.90947 15.52000       51.49014 30.30944       25.58100 22.20809 10.23235 22.19480 8.470612 0.1329041E-01  13.28353 
1 1 1 -20 35 20 o 30.98697 7.802070 60.81178       23.64581 40.79000       52.72764 65.85197       26.45517 24.77337 10.97390 31.67886 8.397149 -6.905489      13.81805 
1 1 1 -20 35 21 o 17.55783 7.465776 10.59546       22.42629 -63.10000      50.91796 28.33211       24.97965 16.80985 8.320600 21.68413 8.346486 -4.874271      11.78542 
1 1 1 -20 35 22 o 26.81112 8.068289 46.79643       22.89735 74.95000       52.44785 40.16689       25.45088 28.98563 11.78858 24.58591 8.591043 4.399721       14.58687 
1 1 1 -20 35 23 o 29.55531 8.804935 59.91339       27.37342 11.88000       52.05088 78.27656       32.18328 21.70737 10.10068 33.18723 9.452360 -11.47987      13.83368 
1 1 1 -20 35 24 o 15.91067 7.048430 2.864247       21.75558 62.91000       50.30649 -10.94905      24.12856 27.17204 11.34565 14.58954 6.817944 12.58251       13.23662 
1 1 1 -20 35 25 o 16.51320 7.311666 4.045176       23.38209 0.000000       0.000000 4.045176       23.38209 ?        ?        16.51320 7.311666 ?              ?        
1 1 1 -20 35 26 o 23.07359 8.377081 35.01395       24.42198 0.000000       0.000000 35.01395       24.42198 ?        ?        23.07359 8.377081 ?              ?        
1 1 1 -20 35 27 f 15.97435 7.243632 -0.4354005     24.48827 -3.490000      50.68675 0.4946804      27.96905 20.02193 9.514708 16.89551 7.692653 3.126421       12.23546 
1 1 1 -20 35 28 o 17.30025 7.691367 6.541410       26.13669 18.83000       50.90041 2.141060       30.45888 21.69745 10.05912 17.51897 7.996220 4.178480       12.85011 
1 1 1 -20 35 29 o 25.32911 8.054041 43.56514       22.45583 -50.91000      51.70830 65.52448       24.92936 17.02418 8.419127 31.28683 8.083179 -14.26265      11.67131 
1 1 1 -20 35 30 o 20.07143 8.088056 24.34569       24.43079 50.53000       50.62331 16.39574       27.89409 24.32680 10.76554 18.90527 8.186216 5.421532       13.52446 
1 1 1 -20 35 31 o 20.13904 8.762168 21.99038       32.27226 -2.966000      51.00667 38.65000       41.67435 19.47806 9.335005 22.83682 9.946216 -3.358761      13.64073 
1 1 1 -20 36 1  o 29.62007 7.407391 53.98718       21.41860 -25.29000      49.93238 71.86340       23.71079 18.98340 9.133752 34.48214 7.255149 -15.49874      11.66459 
1 1 1 -20 36 2  o 34.73716 6.614586 70.61492       21.66952 60.84000       50.59015 72.81131       23.98079 27.59148 11.43723 34.67543 7.296780 -7.083950      13.56662 
1 1 1 -20 36 3  o 27.20778 7.672986 46.45104       21.31338 27.45000       49.22732 50.83454       23.64439 23.43889 10.47904 28.10166 8.132954 -4.662762      13.26481 
1 1 1 -20 36 4  o 26.24351 7.842612 43.65292       21.69086 52.84000       49.57076 41.47729       24.12286 26.51081 11.17797 25.26846 8.371774 1.242352       13.96544 
1 1 1 -20 36 5  o 25.43601 7.870029 41.03731       21.58826 33.73000       49.97789 42.71351       23.93657 24.16076 10.69415 25.63543 8.331055 -1.474667      13.55623 
1 1 1 -20 36 6  o 24.22294 9.736422 38.40112       35.30775 48.72000       51.94576 29.54000       48.13689 25.94941 11.20371 23.56592 10.45968 2.383495       15.32736 
1 1 1 -20 36 7  f 22.46665 8.359799 31.20617       24.56559 -31.09000      51.62607 49.43978       27.93024 18.80154 9.105236 26.92219 9.010552 -8.120646      12.80997 
1 1 1 -20 36 8  o 18.50763 7.860270 12.90978       24.80808 46.62000       51.61498 2.782874       28.29003 25.54632 11.09830 17.57549 7.894088 7.970829       13.61943 
1 1 1 -20 36 9  o 14.07153 6.723724 -21.57863      26.03530 -59.62000      50.07939 -7.488844      30.47777 16.87775 8.335418 16.74972 7.771687 0.1280327      11.39642 
1 1 1 -20 36 10 o 26.65459 9.696979 50.96876       32.74707 0.000000       0.000000 50.96876       32.74707 ?        ?        26.65459 9.696979 ?              ?        
1 1 1 -20 36 11 o 29.59936 8.509676 58.11318       25.96605 0.000000       0.000000 58.11318       25.96605 ?        ?        29.59936 8.509676 ?              ?        
1 1 1 -20 36 12 o 22.26616 8.037662 30.72511       22.44153 -72.37000      52.44278 53.83579       24.82979 16.67229 8.285495 28.61091 8.350081 -11.93862      11.76322 
1 1 1 -20 36 13 o 18.02736 7.832642 9.501547       25.71451 61.85000       51.19763 -8.159363      29.73750 27.33731 11.43243 16.47445 7.655179 10.86286       13.75871 
1 1 1 -20 36 14 o 21.49748 8.542913 27.08752       26.87004 -59.78000      51.73766 59.17200       31.44312 17.09839 8.449541 28.66544 9.559765 -11.56705      12.75868 
1 1 1 -20 36 15 f 50.15939 5.246472 138.4082       25.37826 98.06000       55.91465 148.8766       28.48081 31.98965 12.44003 51.48304 5.749791 -19.49339      13.70454 
1 1 1 -20 36 16 o 32.98878 7.561711 67.75923       23.89393 -23.86000      52.52983 91.66060       26.83021 19.24472 9.286761 38.79050 7.334949 -19.54578      11.83408 
1 1 1 -20 36 17 o 18.93594 7.762418 17.05593       22.96129 40.55000       51.46945 11.21839       25.65577 24.60546 10.87357 18.27029 7.880885 6.335169       13.42918 
1 1 1 -20 36 18 o 28.73272 8.097034 53.77435       23.74335 -0.8620000     51.05440 68.85217       26.82018 20.65661 9.736255 32.35493 8.396808 -11.69832      12.85695 
1 1 1 -20 36 19 o 23.98011 8.288288 37.62286       23.65678 29.01000       51.02275 39.98142       26.70012 23.28839 10.51816 24.39108 8.772027 -1.102688      13.69599 
1 1 1 -20 36 20 o 15.38792 6.988369 -2.307956      22.89928 -22.22000      49.95905 2.988147       25.76525 18.82526 9.077446 16.88571 7.562857 1.939552       11.81511 
1 1 1 -20 36 21 f 28.20006 8.974158 55.75379       27.87510 3.308000       50.71955 78.45086       33.36606 20.76292 9.760839 32.74402 9.712732 -11.98110      13.76994 
1 1 1 -20 36 22 o 16.22989 7.197428 3.436543       22.74413 -8.235000      49.17375 6.612970       25.65303 19.67569 9.356298 17.39935 7.683375 2.276337       12.10680 
1 1 1 -20 36 23 o 16.65052 7.217465 7.336844       21.72896 3.156000       50.64746 8.279968       24.05526 20.69207 9.735756 17.32289 7.550492 3.369181       12.32051 
1 1 1 -20 36 24 o 20.09771 8.085705 22.88503       24.37438 0.000000       0.000000 22.88503       24.37438 ?        ?        20.09771 8.085705 ?              ?        
1 1 1 -20 36 25 o 20.02652 7.869711 23.46858       22.57023 2.234000       51.23294 28.58215       25.14138 20.39668 9.655606 21.33033 8.328312 -0.9336548     12.75114 
1 1 1 -20 36 26 o 12.91866 6.143068 -15.98135      21.19653 -57.28000      50.45257 -7.129400      23.35796 16.55989 8.211945 14.65839 6.802126 1.901508       10.66325 
1 1 1 -20 36 27 o 24.55798 8.854059 43.78104       27.22172 -40.38000      51.61211 76.21583       32.04067 17.45926 8.591753 31.68286 9.546391 -14.22360      12.84336 
1 1 1 -20 36 28 o 25.37183 8.850145 47.56092       27.00241 48.46000       52.63596 47.23980       31.45716 23.95857 10.76388 24.70431 9.401683 -0.7457352     14.29170 
1 1 1 -20 36 29 o 15.62106 7.439765 -14.08492      31.33698 -26.78000      48.96652 -5.279000      40.78202 17.62814 8.610983 18.01821 8.554460 -0.3900738     12.13787 
1 1 1 -20 37 1  o 19.48608 7.640795 20.31985       21.23692 60.46000       49.84980 11.41939       23.47361 27.19672 11.32014 17.92829 7.631232 9.268435       13.65215 
1 1 1 -20 37 2  o 16.15460 7.010419 5.547794       20.54753 -56.58000      48.59163 19.07599       22.67454 16.73261 8.253766 19.36991 7.796646 -2.637299      11.35396 
1 1 1 -20 37 3  o 27.73689 7.764945 49.03024       21.91147 55.49000       50.86784 47.55859       24.27945 26.47581 11.25034 26.81240 8.354370 -0.3365860     14.01305 
1 1 1 -20 37 4  o 39.20669 7.656600 95.17833       28.32891 -1.773000      52.21106 135.6293       33.72483 20.76647 9.805640 47.04161 7.581904 -26.27514      12.39499 
1 1 1 -20 37 5  o 35.89857 7.707508 80.47772       26.27354 4.986000       51.40393 107.1735       30.56806 21.19955 9.921398 41.46120 7.818818 -20.26165      12.63202 
1 1 1 -20 37 6  o 29.40397 8.488811 57.66756       25.78830 18.90000       51.33077 70.75604       29.82553 22.39259 10.28043 32.01204 9.093538 -9.619444      13.72515 
1 1 1 -20 37 7  o 37.35054 6.563123 81.97957       23.11936 -8.799000      52.66560 103.6491       25.73121 20.24413 9.642485 42.20428 6.431703 -21.96014      11.59070 
1 1 1 -20 37 8  o 26.90128 8.097720 47.31449       23.06232 15.44000       55.64579 53.92496       25.34118 22.39985 10.42989 28.39380 8.474895 -5.993944      13.43899 
1 1 1 -20 37 9  o 22.61726 8.388380 32.50034       24.69601 0.000000       0.000000 32.50034       24.69601 ?        ?        22.61726 8.388380 ?              ?        
1 1 1 -20 37 10 o 18.07407 7.958371 8.197185       27.33608 -8.558000      51.91815 14.62378       32.15400 20.15619 9.593036 19.83131 8.684752 0.3248787      12.94030 
1 1 1 -20 37 11 o 21.20955 8.523152 25.89351       27.04964 -0.7318000     51.20815 36.19785       31.85677 20.66179 9.742438 23.46642 9.309477 -2.804621      13.47522 
1 1 1 -20 37 12 o 46.70513 5.700505 122.7286       25.52122 107.5000       55.74061 126.7678       28.70695 33.28114 12.54932 46.65731 6.458834 -13.37617      14.11389 
1 1 1 -20 37 13 o 23.71059 8.139056 36.47603       22.79933 -5.252000      51.48853 46.65340       25.42813 20.31030 9.633756 26.26532 8.590143 -5.955019      12.90735 
1 1 1 -20 37 14 o 22.88515 8.715561 33.79870       27.04533 21.57000       51.59660 38.43143       31.75772 22.56449 10.33989 23.86121 9.347427 -1.296721      13.93871 
1 1 1 -20 37 15 o 41.34484 7.379160 104.6733       28.76739 78.21000       52.63988 115.9423       34.35065 29.17960 11.83123 42.01670 8.640991 -12.83710      14.65075 
1 1 1 -20 37 16 o 18.38981 7.663208 15.02080       22.88250 84.73000       49.84491 -3.593220      25.75703 30.35720 11.76198 15.94059 7.304941 14.41662       13.84580 
1 1 1 -20 37 17 f 18.93533 7.785217 17.56445       23.18434 32.32000       50.07295 13.53796       26.15702 23.32010 10.48600 18.61429 7.992497 4.705805       13.18470 
1 1 1 -20 37 18 o 18.15015 7.631231 13.91790       23.00074 13.15000       49.77628 14.12638       25.93570 21.41956 9.936208 18.66822 7.985937 2.751339       12.74768 
1 1 1 -20 37 19 o 14.18288 6.637838 -11.18939      23.01286 40.14000       49.02224 -25.69824      26.06314 24.11859 10.63716 13.56113 6.543428 10.55747       12.48862 
1 1 1 -20 37 20 o 14.02841 6.695750 -19.47352      25.66946 -8.004000      48.27582 -23.99454      30.30929 19.47115 9.262293 14.85583 7.139654 4.615314       11.69465 
1 1 1 -20 37 21 f 27.78587 8.078007 51.59798       23.27807 -23.65000      49.55199 72.90651       26.36880 18.41745 8.919521 33.19626 8.171056 -14.77881      12.09645 
1 1 1 -20 37 22 o 20.69381 8.245336 25.86767       25.09521 0.000000       0.000000 25.86767       25.09521 ?        ?        20.69381 8.245336 ?              ?        
1 1 1 -20 37 23 o 23.87158 8.446782 39.45039       24.65796 0.000000       0.000000 39.45039       24.65796 ?        ?        23.87158 8.446782 ?              ?        
1 1 1 -20 37 24 o 18.20139 7.541850 16.40241       21.98572 43.09000       51.44590 10.43931       24.31825 23.66027 10.63472 17.43561 7.595758 6.224659       13.06877 
1 1 1 -20 37 25 o 17.27180 7.404636 11.87250       22.38636 -9.618000      50.95413 17.01286       24.92027 19.05312 9.182323 18.60532 7.888914 0.4477940      12.10579 
1 1 1 -20 37 26 o 17.98166 7.598519 15.25450       22.98872 4.412000       50.85808 18.03870       25.77184 19.96075 9.498481 18.85260 8.009320 1.108149       12.42459 
1 1 1 -20 38 1  o 27.13740 10.01029 55.57107       35.08492 72.62000       50.16770 39.25000       49.08514 28.59736 11.56639 24.22749 10.66619 4.369875       15.73369 
1 1 1 -20 38 2  o 24.21362 8.119377 38.33031       22.67746 -5.591000      50.62981 49.35329       25.36402 20.13189 9.550282 26.98793 8.557103 -6.856041      12.82310 
1 1 1 -20 38 3  o 17.12629 7.347277 9.184335       22.06886 43.81000       49.88036 0.7566699      24.60844 24.76887 10.83274 16.30200 7.338894 8.466875       13.08463 
1 1 1 -20 38 4  o 19.72868 8.116304 19.79646       25.21806 -10.60000      51.11003 29.57777       28.99299 19.81538 9.455165 21.99669 8.829354 -2.181313      12.93668 
1 1 1 -20 38 5  o 22.36233 8.090364 31.72174       22.75261 41.78000       51.08458 29.23269       25.41237 24.54489 10.84045 21.77232 8.408421 2.772570       13.71922 
1 1 1 -20 38 6  o 27.16611 7.987529 48.17915       22.64768 8.774000       51.83958 57.47429       25.17753 21.39138 9.995565 29.37484 8.358500 -7.983456      13.02981 
1 1 1 -20 38 7  o 19.13994 7.909299 17.63646       24.09063 0.000000       0.000000 17.63646       24.09063 ?        ?        19.13994 7.909299 ?              ?        
1 1 1 -20 38 8  o 19.05142 8.020407 16.21463       25.45780 0.000000       0.000000 16.21463       25.45780 ?        ?        19.05142 8.020407 ?              ?        
1 1 1 -20 38 9  o 22.32924 8.134305 31.71650       23.05395 20.94000       50.28924 34.58382       25.94027 22.29922 10.21449 23.00311 8.584418 -0.7038898     13.34272 
1 1 1 -20 38 10 o 21.90801 8.063419 30.22005       22.74370 -3.440000      50.87713 38.62652       25.42565 20.23219 9.590765 23.99146 8.568177 -3.759268      12.86065 
1 1 1 -20 38 11 o 22.30663 8.776029 31.85226       28.09692 44.60000       52.95188 26.85662       33.14823 24.66583 10.95785 21.62474 9.130468 3.041096       14.26323 
1 1 1 -20 38 12 o 28.02333 9.085256 56.01681       28.47629 45.28000       52.48134 60.49685       33.90066 24.68150 10.93994 28.12134 9.908275 -3.439838      14.75995 
1 1 1 -20 38 13 o 27.94938 9.044096 55.62082       28.22682 43.12000       52.56805 60.68531       33.45959 24.42193 10.87960 28.21530 9.851021 -3.793364      14.67679 
1 1 1 -20 38 14 o 37.22860 6.982068 84.19102       24.50850 -11.47000      51.99035 111.5228       27.79003 19.65287 9.420324 43.14813 6.805187 -23.49526      11.62123 
1 1 1 -20 38 15 o 26.19948 8.983013 48.64769       27.77053 22.93000       49.39834 60.53122       33.57911 22.22351 10.15861 28.14781 9.865674 -5.924309      14.16082 
1 1 1 -20 38 16 o 18.82700 8.094302 14.52730       26.89319 12.40000       48.17496 15.49036       32.41396 21.10440 9.784846 19.73626 8.679037 1.368143       13.07933 
1 1 1 -20 38 17 o 17.73550 7.584024 12.02342       23.37455 47.89000       49.48206 1.720940       26.52002 24.70526 10.79750 16.70532 7.560311 7.999933       13.18121 
1 1 1 -20 38 18 o 28.55301 9.015603 58.88124       28.18122 19.74000       50.00794 77.09583       34.11388 21.67322 10.02079 31.61415 9.910708 -9.940928      14.09391 
1 1 1 -20 38 19 o 15.33176 6.983503 -1.674894      23.07968 -6.909000      48.48095 -0.1410803     26.24437 19.26866 9.198285 16.30519 7.434616 2.963465       11.82717 
1 1 1 -20 38 20 o 35.86542 7.091847 80.02612       24.01418 72.66000       50.84187 82.14139       27.24483 27.30715 11.40424 35.18388 8.081465 -7.876734      13.97737 
1 1 1 -20 38 21 o 15.48855 7.147108 -3.736068      25.25658 0.000000       0.000000 -3.736068      25.25658 ?        ?        15.48855 7.147108 ?              ?        
1 1 1 -20 38 22 o 14.88917 6.818365 -2.433855      22.38774 9.915000       48.39154 -5.796679      25.25272 20.18851 9.504299 15.16666 7.049824 5.021851       11.83350 
1 1 1 -20 38 23 o 16.08855 7.146652 5.459049       22.51781 -25.12000      47.87597 14.14514       25.51631 17.56639 8.566324 18.07622 7.828379 -0.5098305     11.60454 
1 1 1 -20 38 24 o 21.30713 8.470871 31.09396       26.42958 48.79000       51.73224 24.84374       30.74476 23.59931 10.63089 20.27489 8.684532 3.324411       13.72723 
1 1 1 -20 39 1  o 18.64904 7.608905 17.36373       21.93366 -42.92000      50.58285 31.32333       24.34107 17.50571 8.592799 22.06637 8.298857 -4.560656      11.94601 
1 1 1 -20 39 2  o 25.80471 9.121176 47.76911       28.74636 0.000000       0.000000 47.76911       28.74636 ?        ?        25.80471 9.121176 ?              ?        
1 1 1 -20 39 3  o 25.51012 8.640828 45.06780       25.68264 26.51000       50.09778 51.68370       29.91231 22.55722 10.28014 26.59538 9.312192 -4.038158      13.87077 
1 1 1 -20 39 4  f 29.51767 8.598457 59.89902       26.35093 51.55000       51.32018 62.88828       30.70801 25.27236 11.02171 29.22850 9.431123 -3.956142      14.50601 
1 1 1 -20 39 5  o 19.53672 8.068740 19.79133       25.05269 0.000000       0.000000 19.79133       25.05269 ?        ?        19.53672 8.068740 ?              ?        
1 1 1 -20 39 6  f 18.43688 7.837529 14.34216       24.70426 0.000000       0.000000 14.34216       24.70426 ?        ?        18.43688 7.837529 ?              ?        
1 1 1 -20 39 7  o 15.61519 6.989078 1.429435       21.96389 -70.31000      50.34818 18.29061       24.40893 16.09233 8.017058 19.14777 7.941425 -3.055447      11.28448 
1 1 1 -20 39 8  o 17.10833 7.397963 9.093060       22.71834 -10.72000      49.33712 14.42457       25.59310 19.31909 9.237851 18.58335 7.940900 0.7357388      12.18178 
1 1 1 -20 39 9  o 21.69664 8.083661 29.91393       22.98374 63.47000       49.59318 20.73529       25.93735 26.82275 11.23695 19.81239 8.198871 7.010365       13.91009 
1 1 1 -20 39 10 o 16.05829 7.145285 3.155630       22.60586 -40.66000      48.75217 15.15664       25.51458 17.32131 8.488635 18.70401 7.958561 -1.382702      11.63596 
1 1 1 -20 39 11 o 19.11451 7.853027 18.73152       23.56721 -11.50000      50.09981 27.32213       26.70656 19.33029 9.260849 21.17198 8.482367 -1.841684      12.55842 
1 1 1 -20 39 12 o 12.22479 6.036317 -41.97271      26.21973 10.13000       47.15800 -65.28642      31.54504 20.61577 9.599978 12.31938 6.168906 8.296386       11.41118 
1 1 1 -20 39 13 o 17.04936 7.675888 4.072026       26.92575 2.203000       48.21372 4.919152       32.45915 19.97021 9.427584 18.15805 8.275101 1.812166       12.54419 
1 1 1 -20 39 14 o 15.46054 7.219180 -8.159051      26.96338 -13.14000      49.02474 -5.998906      32.28499 18.87400 9.073210 16.85769 7.880726 2.016315       12.01786 
1 1 1 -20 39 15 o 13.50280 6.401093 -14.76173      22.66839 -28.82000      48.06060 -10.73942      25.70756 17.67565 8.611437 14.82129 6.961804 2.854353       11.07355 
1 1 1 -20 39 16 f 18.31532 8.380474 5.804326       33.72913 -26.07000      48.03705 36.80000       47.37033 17.76898 8.646201 22.93390 10.26448 -5.164923      13.42074 
1 1 1 -20 39 17 o 27.91954 9.081775 58.26566       28.44125 59.67000       49.36187 57.56775       34.79802 25.43858 10.95182 26.50594 9.932255 -1.067362      14.78486 
1 1 1 -20 39 18 o 16.59639 7.340748 7.006752       23.50803 24.44000       47.80327 1.446027       26.99816 21.42489 9.867047 16.47978 7.524330 4.945110       12.40863 
1 1 1 -20 39 19 o 35.74179 8.311163 87.77764       28.52476 0.000000       0.000000 87.77764       28.52476 ?        ?        35.74179 8.311163 ?              ?        
1 1 1 -20 39 20 o 14.17979 6.638417 -8.610947      23.04628 -93.05000      48.79662 15.63159       26.14611 14.49570 7.312951 18.36703 7.939350 -3.871334      10.79410 
1 1 1 -20 39 21 o 21.33391 9.077819 31.41550       33.19723 7.962000       48.07015 52.80000       45.90089 19.68068 9.327308 24.10283 10.46863 -4.422157      14.02108 
1 1 1 -20 40 1  o 34.42514 8.981185 83.64437       30.57612 -2.002000      50.15562 134.3000       38.57261 19.82124 9.432253 43.66497 9.309375 -23.84373      13.25262 
1 1 1 -20 40 2  o 46.30706 5.670013 122.4574       25.16468 49.35000       52.90241 143.8372       28.60865 24.57220 10.93233 49.82232 5.986092 -25.25013      12.46391 
1 1 1 -20 40 3  o 19.35097 7.813885 20.83989       22.85447 -57.99000      50.39122 41.25437       25.64358 16.50723 8.189487 24.24845 8.610657 -7.741224      11.88323 
1 1 1 -20 40 4  o 21.17620 8.388581 28.39407       25.83028 0.000000       0.000000 28.39407       25.83028 ?        ?        21.17620 8.388581 ?              ?        
1 1 1 -20 40 5  o 29.24342 8.007189 57.29917       23.58763 48.56000       52.15343 59.54647       26.44711 24.42557 10.86162 29.05901 8.654090 -4.633438      13.88770 
1 1 1 -20 40 6  o 34.55467 8.127030 79.43021       27.02419 4.777000       50.09564 110.0719       32.09460 20.26071 9.578287 40.63470 8.348608 -20.37399      12.70602 
1 1 1 -20 40 7  f 21.70230 8.124291 30.91792       23.27070 56.28000       49.87623 23.86066       26.30989 25.29681 10.95016 20.21609 8.300616 5.080721       13.74068 
1 1 1 -20 40 8  o 20.49075 8.001485 26.03193       23.20918 60.75000       48.53313 15.73830       26.42681 25.88988 10.99477 18.70415 8.032384 7.185728       13.61632 
1 1 1 -20 40 9  o 23.61848 8.261481 38.47198       23.53932 4.834000       48.61342 48.77440       26.90364 20.02790 9.458376 25.88254 8.842606 -5.854633      12.94807 
1 1 1 -20 40 10 o 22.32264 8.171472 33.71717       23.30682 -37.72000      48.26543 55.44045       26.61563 17.08499 8.387774 27.67587 8.764518 -10.59089      12.13143 
1 1 1 -20 40 11 o 14.92564 6.885624 -4.424823      23.42116 -53.37000      47.55903 11.24595       26.91059 16.11551 7.988323 17.93712 7.897201 -1.821613      11.23295 
1 1 1 -20 40 12 o 13.94610 6.569925 -11.50094      23.19294 -43.39000      47.84305 -1.704776      26.51711 16.62341 8.198012 15.98665 7.357568 0.6367588      11.01550 
1 1 1 -20 40 13 o 14.24001 6.804393 -17.30860      26.66724 -49.32000      46.71045 -1.830077      32.48078 16.09165 7.965872 17.09282 7.962066 -1.001171      11.26275 
1 1 1 -20 40 14 o 12.90786 6.326133 -33.64701      27.08951 -29.59000      47.45965 -35.60754      32.99190 17.22072 8.425912 14.23991 6.979468 2.980810       10.94116 
1 1 1 -20 40 15 o 20.68461 8.540344 27.96636       28.05586 32.45000       47.85226 25.61779       34.63290 21.91299 10.00971 20.59166 9.015635 1.321327       13.47130 
1 1 1 -20 40 16 o 16.92111 7.642632 5.808699       26.94081 26.92000       47.60456 -4.138633      32.67717 21.34356 9.835703 16.75158 7.862320 4.591982       12.59195 
1 1 1 -20 40 17 o 16.19093 7.971851 -38.02000      44.62907 0.000000       0.000000 -38.02000      44.62907 ?        ?        16.19093 7.971851 ?              ?        
1 1 1 -20 41 1  o 25.56678 8.187881 46.04361       23.17573 7.074000       47.84669 57.98930       26.49077 19.81793 9.366519 28.14825 8.719433 -8.330320      12.79688 
1 1 1 -20 41 2  o 31.46477 9.434879 76.12579       31.35235 0.000000       0.000000 76.12579       31.35235 ?        ?        31.46477 9.434879 ?              ?        
1 1 1 -20 41 3  o 22.00275 9.042690 34.23645       31.26214 0.000000       0.000000 34.23645       31.26214 ?        ?        22.00275 9.042690 ?              ?        
1 1 1 -20 41 4  o 31.35503 7.915710 66.44872       24.29364 11.28000       50.45895 83.09535       27.71755 20.33059 9.611811 34.80191 8.261042 -14.47133      12.67406 
1 1 1 -20 41 5  f 27.11617 8.202766 51.81220       23.62279 5.254000       49.94680 65.22775       26.81104 19.80001 9.419438 30.03060 8.651169 -10.23060      12.78939 
1 1 1 -20 41 6  o 17.14465 7.424161 11.33941       22.94444 -64.17000      48.48876 33.12463       26.04483 15.58802 7.781803 21.78446 8.484926 -6.196438      11.51305 
1 1 1 -20 41 7  o 17.36464 7.731561 9.242153       26.51156 0.000000       0.000000 9.242153       26.51156 ?        ?        17.36464 7.731561 ?              ?        
1 1 1 -20 41 8  o 14.18966 6.653294 -8.790164      23.30093 -46.78000      47.40455 3.312428       26.75627 16.18171 8.013022 16.53475 7.526696 -0.3530407     10.99362 
1 1 1 -20 41 9  o 24.14315 8.865793 44.46779       27.46969 -4.994000      48.31668 68.09121       33.39132 18.72378 9.002656 28.47540 9.846759 -9.751625      13.34191 
1 1 1 -20 41 10 o 15.51293 7.055430 1.131119       23.44668 -49.03000      47.23486 17.53182       27.00911 15.99937 7.936030 18.67125 8.070079 -2.671883      11.31843 
1 1 1 -20 41 11 o 19.00882 7.920610 20.66509       24.44308 3.958000       48.03102 26.50410       28.39496 19.35286 9.215282 20.34919 8.512294 -0.9963341     12.54514 
1 1 1 -20 41 12 o 15.79014 7.343711 -3.089554      27.46133 0.4151000      47.18230 -4.884979      33.77071 18.92065 9.043669 16.76153 7.905918 2.159124       12.01214 
1 1 1 -20 42 1  o 17.87770 8.775578 -22.62000      52.76639 0.000000       0.000000 -22.62000      52.76639 ?        ?        17.87770 8.775578 ?              ?        
1 1 1 -20 42 2  o 24.79440 9.959775 55.38123       36.92126 34.77000       49.30662 81.69000       55.70621 21.67149 9.995143 26.13936 11.43962 -4.467871      15.19105 
1 1 1 -19 0  1  o 142.4533 4.780385 998.2841       66.48609 998.2841       66.48609 998.2841       66.48609 142.4533 4.780385 142.4533 4.780385 0.000000       0.000000 
1 1 1 -19 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  3  o 128.7638 4.592578 815.8861       57.71649 815.8861       57.71649 815.8861       57.71649 128.7638 4.592578 128.7638 4.592578 0.000000       0.000000 
1 1 1 -19 0  4  o 7.104469 5.119191 -32.03000      17.79222 -32.03000      17.79222 -32.03000      17.79222 7.104469 5.119191 7.104469 5.119191 -0.000000      0.000000 
1 1 1 -19 0  5  o 33.38978 9.009826 65.43000       25.44584 65.43000       25.44584 65.43000       25.44584 33.38978 9.009826 33.38978 9.009826 0.000000       0.000000 
1 1 1 -19 0  6  o 40.36702 7.683115 88.19000       27.16418 88.19000       27.16418 88.19000       27.16418 40.36702 7.683115 40.36702 7.683115 0.000000       0.000000 
1 1 1 -19 0  7  o 210.6917 8.698018 2197.000       178.6833 2197.000       178.6833 2197.000       178.6833 210.6917 8.698018 210.6917 8.698018 -0.000000      0.000000 
1 1 1 -19 0  8  o 69.85275 5.607446 244.0000       37.75431 244.0000       37.75431 244.0000       37.75431 69.85275 5.607446 69.85275 5.607446 0.000000       0.000000 
1 1 1 -19 0  9  o 190.2656 8.056800 1791.000       149.4342 1791.000       149.4342 1791.000       149.4342 190.2656 8.056800 190.2656 8.056800 -0.000000      0.000000 
1 1 1 -19 0  10 o 110.4303 5.971431 603.9000       64.11241 603.9000       64.11241 603.9000       64.11241 110.4303 5.971431 110.4303 5.971431 -0.000000      0.000000 
1 1 1 -19 0  11 o 27.67775 10.83945 51.81000       28.08852 51.81000       28.08852 51.81000       28.08852 27.67775 10.83945 27.67775 10.83945 -0.000000      0.000000 
1 1 1 -19 0  12 o 400.1672 15.54443 8051.000       606.7769 8051.000       606.7769 8051.000       606.7769 400.1672 15.54443 400.1672 15.54443 0.000000       0.000000 
1 1 1 -19 0  13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  14 o 19.37868 9.472486 27.26832       21.23158 27.26832       21.23158 27.26832       21.23158 19.37868 9.472486 19.37868 9.472486 -0.000000      0.000000 
1 1 1 -19 0  15 o 55.39753 5.159368 154.4746       27.38726 154.4746       27.38726 154.4746       27.38726 55.39753 5.159368 55.39753 5.159368 -0.000000      0.000000 
1 1 1 -19 0  16 o 29.44944 9.045018 53.17979       22.79423 53.17979       22.79423 53.17979       22.79423 29.44944 9.045018 29.44944 9.045018 0.000000       0.000000 
1 1 1 -19 0  17 o 58.85124 5.169373 173.9249       29.22650 173.9249       29.22650 173.9249       29.22650 58.85124 5.169373 58.85124 5.169373 -0.000000      0.000000 
1 1 1 -19 0  18 o 116.3061 4.621486 666.9845       52.42356 666.9845       52.42356 666.9845       52.42356 116.3061 4.621486 116.3061 4.621486 0.000000       0.000000 
1 1 1 -19 0  19 o 24.24789 9.836766 40.44305       22.85747 40.44305       22.85747 40.44305       22.85747 24.24789 9.836766 24.24789 9.836766 -0.000000      0.000000 
1 1 1 -19 0  20 o 8.030931 5.709446 -26.54703      19.29513 -26.54703      19.29513 -26.54703      19.29513 8.030931 5.709446 8.030931 5.709446 -0.000000      0.000000 
1 1 1 -19 0  21 o 73.85957 4.549634 270.9396       32.60289 270.9396       32.60289 270.9396       32.60289 73.85957 4.549634 73.85957 4.549634 0.000000       0.000000 
1 1 1 -19 0  22 o 291.2237 8.175911 4212.258       232.6453 4212.258       232.6453 4212.258       232.6453 291.2237 8.175911 291.2237 8.175911 -0.000000      0.000000 
1 1 1 -19 0  23 o 133.7862 4.741360 883.3803       61.91272 883.3803       61.91272 883.3803       61.91272 133.7862 4.741360 133.7862 4.741360 -0.000000      0.000000 
1 1 1 -19 0  24 o 161.0792 7.253318 1293.000       113.8327 1293.000       113.8327 1293.000       113.8327 161.0792 7.253318 161.0792 7.253318 0.000000       0.000000 
1 1 1 -19 0  25 o 22.65205 12.45129 36.87000       39.82833 36.87000       39.82833 36.87000       39.82833 22.65205 12.45129 22.65205 12.45129 0.000000       0.000000 
1 1 1 -19 0  26 o 79.91653 4.434870 317.2054       34.44553 317.2054       34.44553 317.2054       34.44553 79.91653 4.434870 79.91653 4.434870 0.000000       0.000000 
1 1 1 -19 0  27 o 15.04881 8.785876 13.82494       21.50871 13.82494       21.50871 13.82494       21.50871 15.04881 8.785876 15.04881 8.785876 -0.000000      0.000000 
1 1 1 -19 0  28 o 108.6644 4.602019 585.2974       48.74863 585.2974       48.74863 585.2974       48.74863 108.6644 4.602019 108.6644 4.602019 0.000000       0.000000 
1 1 1 -19 0  29 o 99.79425 4.577072 494.4802       44.49459 494.4802       44.49459 494.4802       44.49459 99.79425 4.577072 99.79425 4.577072 0.000000       0.000000 
1 1 1 -19 0  30 o 79.33619 4.778779 314.3279       36.79888 314.3279       36.79888 314.3279       36.79888 79.33619 4.778779 79.33619 4.778779 0.000000       0.000000 
1 1 1 -19 0  31 o 9.863780 6.852926 -19.62758      23.29167 -19.62758      23.29167 -19.62758      23.29167 9.863780 6.852926 9.863780 6.852926 -0.000000      0.000000 
1 1 1 -19 0  32 o 39.63107 8.337298 88.36198       28.47429 88.36198       28.47429 88.36198       28.47429 39.63107 8.337298 39.63107 8.337298 0.000000       0.000000 
1 1 1 -19 0  33 o 47.10359 7.133276 118.3391       30.65888 118.3391       30.65888 118.3391       30.65888 47.10359 7.133276 47.10359 7.133276 -0.000000      0.000000 
1 1 1 -19 0  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  35 o 66.68021 5.748282 226.5922       36.85044 226.5922       36.85044 226.5922       36.85044 66.68021 5.748282 66.68021 5.748282 -0.000000      0.000000 
1 1 1 -19 0  36 o 20.58737 12.61260 24.61000       48.65877 24.61000       48.65877 24.61000       48.65877 20.58737 12.61260 20.58737 12.61260 0.000000       0.000000 
1 1 1 -19 0  37 o 66.45924 9.825072 243.1000       59.81806 243.1000       59.81806 243.1000       59.81806 66.45924 9.825072 66.45924 9.825072 0.000000       0.000000 
1 1 1 -19 0  38 o 19.95639 10.91028 30.98936       30.40392 30.98936       30.40392 30.98936       30.40392 19.95639 10.91028 19.95639 10.91028 0.000000       0.000000 
1 1 1 -19 0  39 o 108.8203 6.825143 610.2000       72.03563 610.2000       72.03563 610.2000       72.03563 108.8203 6.825143 108.8203 6.825143 0.000000       0.000000 
1 1 1 -19 0  40 o 15.03303 9.987922 -4.032000      39.19086 -4.032000      39.19086 -4.032000      39.19086 15.03303 9.987922 15.03303 9.987922 -0.000000      0.000000 
1 1 1 -19 0  41 o 14.33650 9.323274 2.389699       31.46586 2.389699       31.46586 2.389699       31.46586 14.33650 9.323274 14.33650 9.323274 0.000000       0.000000 
1 1 1 -19 0  42 o 27.84109 11.89729 59.90843       33.05671 59.90843       33.05671 59.90843       33.05671 27.84109 11.89729 27.84109 11.89729 0.000000       0.000000 
1 1 1 -19 0  43 o 23.45542 11.72382 45.70324       32.83541 45.70324       32.83541 45.70324       32.83541 23.45542 11.72382 23.45542 11.72382 0.000000       0.000000 
1 1 1 -19 0  44 o 18.30458 10.85706 24.73178       33.75673 24.73178       33.75673 24.73178       33.75673 18.30458 10.85706 18.30458 10.85706 -0.000000      0.000000 
1 1 1 -19 0  45 o 10.91302 7.707070 -33.71144      33.20862 -33.71144      33.20862 -33.71144      33.20862 10.91302 7.707070 10.91302 7.707070 -0.000000      0.000000 
1 1 1 -19 0  46 o 16.22469 10.23255 13.26965       34.44816 13.26965       34.44816 13.26965       34.44816 16.22469 10.23255 16.22469 10.23255 -0.000000      0.000000 
1 1 1 -19 0  47 o 16.29605 10.25354 14.37366       34.36760 14.37366       34.36760 14.37366       34.36760 16.29605 10.25354 16.29605 10.25354 -0.000000      0.000000 
1 1 1 -19 0  48 o 43.38393 10.25937 116.8066       37.82970 116.8066       37.82970 116.8066       37.82970 43.38393 10.25937 43.38393 10.25937 0.000000       0.000000 
1 1 1 -19 0  49 o 15.27203 9.905179 6.891178       35.18966 6.891178       35.18966 6.891178       35.18966 15.27203 9.905179 15.27203 9.905179 0.000000       0.000000 
1 1 1 -19 0  50 o 17.56288 10.77925 21.70894       35.68850 21.70894       35.68850 21.70894       35.68850 17.56288 10.77925 17.56288 10.77925 0.000000       0.000000 
1 1 1 -19 0  51 o 57.07022 12.41840 209.1000       60.78967 209.1000       60.78967 209.1000       60.78967 57.07022 12.41840 57.07022 12.41840 -0.000000      0.000000 
1 1 1 -19 0  52 o 22.34043 13.49346 46.23000       54.00832 46.23000       54.00832 46.23000       54.00832 22.34043 13.49346 22.34043 13.49346 0.000000       0.000000 
1 1 1 -19 0  53 o 22.27991 13.14110 46.95000       48.96002 46.95000       48.96002 46.95000       48.96002 22.27991 13.14110 22.27991 13.14110 -0.000000      0.000000 
1 1 1 -19 0  54 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  55 o 13.93860 9.369161 -3.481323      36.29604 -3.481323      36.29604 -3.481323      36.29604 13.93860 9.369161 13.93860 9.369161 0.000000       0.000000 
1 1 1 -19 0  56 o 13.89736 9.332060 -2.302081      35.84269 -2.302081      35.84269 -2.302081      35.84269 13.89736 9.332060 13.89736 9.332060 -0.000000      0.000000 
1 1 1 -19 1  1  o 53.20681 3.275527 139.3074       16.97635 131.4376       23.90121 147.3197       24.11660 51.50979 4.795590 54.58803 4.554967 -3.078236      6.614031 
1 1 1 -19 1  2  o 131.6168 3.228852 849.1996       41.59735 818.9142       58.08379 881.0876       59.60060 129.0581 4.605324 133.8801 4.554714 -4.822037      6.477224 
1 1 1 -19 1  3  o 77.54945 3.822945 295.7194       28.92959 277.6000       40.44584 314.7000       41.39595 74.92863 5.554167 79.83440 5.327878 -4.905769      7.696432 
1 1 1 -19 1  4  o 48.92656 3.810617 118.1325       18.10548 105.6000       27.34819 127.9115       24.15765 45.89532 6.249941 50.79065 4.920774 -4.895329      7.954607 
1 1 1 -19 1  5  o 136.1012 4.511837 910.5051       60.02345 913.4000       84.81161 907.6000       84.96052 136.0234 6.387785 135.5840 6.420042 0.4394073      9.056530 
1 1 1 -19 1  6  o 92.12287 3.901658 417.1073       35.10253 421.7000       49.60304 412.5000       49.68200 92.43745 5.507155 91.40991 5.579214 1.027542       7.839412 
1 1 1 -19 1  7  o 12.64467 5.716805 -8.383405      15.11820 -24.79000      20.81935 9.919000       21.98932 12.99697 6.153390 19.47299 7.731491 -6.476018      9.881304 
1 1 1 -19 1  8  o 74.09721 3.930329 270.1561       28.40408 276.7000       39.85266 263.4000       40.49389 74.80514 5.480807 72.94178 5.717274 1.863358       7.920005 
1 1 1 -19 1  9  o 110.5112 4.168214 600.3328       45.00735 580.4000       62.36328 622.0000       65.01982 108.4189 5.898703 112.2414 5.939300 -3.822426      8.370781 
1 1 1 -19 1  10 o 184.9371 5.542477 1684.444       100.2175 1715.000       143.0604 1655.000       140.4341 186.0178 7.874851 182.7306 7.869997 3.287216       11.13329 
1 1 1 -19 1  11 o 215.8033 6.244979 2297.364       131.7766 2345.000       188.6803 2252.000       184.1237 217.1557 8.895479 212.8131 8.858410 4.342606       12.55392 
1 1 1 -19 1  12 f 96.23759 3.540015 454.9709       33.29012 422.2980       41.72452 512.2000       55.22126 92.58889 4.618484 101.8530 5.560020 -9.264130      7.228016 
1 1 1 -19 1  13 o 14.56533 6.212562 -0.2724371     15.61364 6.848522       21.41047 -8.361000      22.81879 18.55118 7.536760 16.17268 7.188548 2.378498       10.41528 
1 1 1 -19 1  14 f 92.57978 3.467422 421.0819       31.36613 421.9533       40.05309 419.7000       50.43774 92.56400 4.433556 92.14286 5.618979 0.4211426      7.157467 
1 1 1 -19 1  15 o 87.86199 3.156830 379.1051       27.10517 388.5341       38.64426 369.9745       38.02815 88.80042 4.460221 86.64292 4.499418 2.157501       6.335482 
1 1 1 -19 1  16 o 39.72822 4.558573 78.61735       17.40620 66.20024       24.33925 91.61588       24.90258 35.95002 7.168333 42.65748 6.140765 -6.707462      9.438961 
1 1 1 -19 1  17 o 65.76176 3.438459 212.8340       22.05628 221.5016       30.98927 203.9354       31.39934 66.92429 4.761761 64.16042 5.040174 2.763870       6.933809 
1 1 1 -19 1  18 o 141.2123 3.503229 979.0508       48.42250 977.7264       68.41996 980.3799       68.53972 140.8037 4.972155 140.9945 4.974104 -0.1907501     7.033067 
1 1 1 -19 1  19 o 133.1774 3.377476 871.3802       43.99247 844.3210       61.74589 899.2773       62.69446 130.8288 4.829974 135.0421 4.750407 -4.213287      6.774586 
1 1 1 -19 1  20 o 59.92140 3.377520 176.9001       19.72988 181.7769       27.36758 171.6226       28.46956 60.56726 4.651891 58.78453 4.995049 1.782730       6.825732 
1 1 1 -19 1  21 o 134.2164 3.368857 885.6093       44.22329 880.4163       62.59981 890.7828       62.48272 133.5145 4.797832 134.3087 4.760329 -0.7941742     6.758693 
1 1 1 -19 1  22 o 43.22692 4.088128 92.82806       17.09206 100.1283       24.17416 85.53065       24.16949 44.62043 5.662247 41.06910 6.205754 3.551327       8.400739 
1 1 1 -19 1  23 o 25.13490 6.652446 32.61300       16.61986 39.77640       21.25425 21.34000       26.66282 27.73029 7.604025 23.30085 8.701632 4.429441       11.55593 
1 1 1 -19 1  24 o 61.25426 4.079211 185.8624       24.31851 217.2000       48.11050 175.1077       28.18416 65.31400 7.671443 59.28777 4.900341 6.026230       9.102987 
1 1 1 -19 1  25 o 95.18402 3.453198 446.7553       32.11970 426.7000       51.75168 459.3212       40.96443 92.40660 5.750062 96.30328 4.356983 -3.896683      7.214327 
1 1 1 -19 1  26 o 80.41425 3.767946 319.7696       29.57567 335.9229       35.18852 280.9000       54.58537 82.27645 4.385214 74.16561 7.627754 8.110840       8.798450 
1 1 1 -19 1  27 o 121.9141 3.259841 732.8658       38.86572 692.8525       53.51493 777.5283       56.53847 118.0863 4.638899 125.1099 4.624815 -7.023537      6.550443 
1 1 1 -19 1  28 o 54.45681 3.746400 147.2538       19.84806 162.1029       28.18754 132.6510       27.95274 56.80699 5.124348 51.18888 5.673997 5.618114       7.645469 
1 1 1 -19 1  29 o 65.09116 3.501650 209.9656       22.22795 217.4301       31.65814 202.7078       31.21664 65.84043 4.948531 63.52413 5.062282 2.316303       7.079171 
1 1 1 -19 1  30 o 30.89706 6.072842 49.71952       17.71090 50.79640       25.18698 48.66624       24.90931 30.79678 8.207245 30.16576 8.215721 0.6310272      11.61279 
1 1 1 -19 1  31 o 33.00184 5.978299 56.57543       18.60092 76.37321       26.76104 38.07010       25.87278 37.96870 7.466846 27.05656 8.649766 10.91214       11.42682 
1 1 1 -19 1  32 o 33.21354 6.244371 57.70074       19.55563 80.23418       27.48796 34.60828       27.82684 38.85434 7.499282 26.24692 8.992336 12.60742       11.70903 
1 1 1 -19 1  33 o 88.47834 3.483740 388.6308       30.11198 374.1952       42.02298 403.8649       43.16970 86.17207 5.003641 89.56371 4.943431 -3.391647      7.033771 
1 1 1 -19 1  34 o 62.85487 3.978256 197.4993       24.35028 199.9104       33.60429 194.8336       35.33374 62.63278 5.538356 61.65075 5.928236 0.9820328      8.112791 
1 1 1 -19 1  35 o 26.92553 8.391302 38.84753       24.49326 49.72214       28.49997 8.122000       47.90571 30.08299 8.989613 24.94332 10.76421 5.139671       14.02432 
1 1 1 -19 1  36 o 34.91761 7.965828 66.74269       26.62191 69.30897       31.69882 60.60000       49.04234 35.14006 9.133133 33.08554 11.88984 2.054516       14.99275 
1 1 1 -19 1  37 o 29.26434 8.513017 47.63390       25.84562 48.25000       50.35275 47.41352       30.11557 30.68898 11.84023 29.19804 9.331833 1.490938       15.07561 
1 1 1 -19 1  38 o 19.95671 7.961273 14.04060       23.42391 -23.08000      37.27683 38.26195       30.11138 18.38738 8.553143 26.70945 9.343776 -8.322063      12.66738 
1 1 1 -19 1  39 o 62.14360 4.727646 197.6017       28.54146 210.0000       46.77157 190.2455       36.02703 61.77782 7.916390 60.03493 6.220861 1.742882       10.06818 
1 1 1 -19 1  40 o 46.01950 6.266852 112.9541       27.49639 117.1432       35.20344 106.4000       44.03353 45.63341 8.181832 41.50009 10.75349 4.133320       13.51222 
1 1 1 -19 1  41 o 39.88933 7.219408 87.98505       27.15057 73.69298       34.53894 111.1000       43.92462 34.88672 9.742528 42.28800 10.62608 -7.401279      14.41633 
1 1 1 -19 1  42 o 59.85500 4.620424 184.2893       26.86061 150.2227       37.70633 219.3880       38.27330 51.89484 7.652462 64.16090 6.170224 -12.26606      9.830149 
1 1 1 -19 1  43 o 14.02410 6.577690 -18.07367      22.80437 3.200838       33.05661 -37.39194      31.50015 19.97162 8.774197 15.02301 7.234935 4.948609       11.37237 
1 1 1 -19 1  44 o 15.00404 6.899816 -11.36147      23.25518 3.123162       33.59807 -24.68286      32.22073 19.96567 8.805842 16.32820 7.707860 3.637465       11.70273 
1 1 1 -19 1  45 o 58.26083 4.968515 177.3933       28.06399 182.9927       39.70106 171.8009       39.67591 57.22827 7.249815 55.16050 7.546009 2.067768       10.46432 
1 1 1 -19 1  46 o 12.36230 6.032968 -37.12771      23.87077 -17.81812      33.59127 -56.82635      33.92799 17.26662 8.060945 14.15265 6.964848 3.113970       10.65307 
1 1 1 -19 1  47 o 28.92524 8.386968 50.81943       25.12291 43.32301       35.96834 57.96057       35.10568 26.65695 10.07430 29.82946 10.10240 -3.172506      14.26710 
1 1 1 -19 1  48 o 20.25614 8.123116 18.16223       24.51633 -13.62013      34.93620 48.99871       34.41240 17.86347 8.299508 27.70870 9.959474 -9.845232      12.96430 
1 1 1 -19 1  49 o 51.08947 5.639688 140.7029       27.73402 161.7744       39.80808 120.8285       38.66074 52.55864 7.989050 44.07514 9.256336 8.483498       12.22721 
1 1 1 -19 1  50 o 41.67545 6.926026 98.68273       27.26211 94.57201       37.14456 103.4827       40.13813 38.03040 9.887685 39.40262 10.29524 -1.372223      14.27439 
1 1 1 -19 1  51 o 18.38653 8.133484 3.112657       28.86758 34.04005       34.86053 -64.37000      51.49422 24.51472 9.734256 17.64170 8.661633 6.873018       13.02995 
1 1 1 -19 1  52 o 20.32614 8.602262 14.54846       29.53714 -20.24000      53.72464 29.61922       35.36092 20.80550 9.860468 23.71737 9.667044 -2.911875      13.80871 
1 1 1 -19 1  53 o 34.58868 12.29517 95.03000       52.29699 0.000000       0.000000 95.03000       52.29699 ?        ?        34.58868 12.29517 ?              ?        
1 1 1 -19 1  54 o 53.66201 7.689689 170.0944       39.23788 194.9000       55.89874 146.0000       55.09155 52.78314 11.16832 43.36089 12.37269 9.422245       16.66778 
1 1 1 -19 1  55 o 30.19442 10.43909 65.55406       37.52871 65.55406       37.52871 0.000000       0.000000 30.19442 10.43909 ?        ?        ?              ?        
1 1 1 -19 1  56 o 24.60594 8.708529 38.89228       26.21101 49.90639       37.05688 27.86497       37.07907 26.62809 10.18707 22.81179 9.645410 3.816296       14.02891 
1 1 1 -19 2  1  o 52.16580 3.592459 134.0825       18.23157 102.3000       27.93186 157.6739       24.06480 45.11396 6.513721 56.50586 4.385237 -11.39190      7.852315 
1 1 1 -19 2  2  o 50.05584 4.122650 123.7825       20.02045 120.9000       27.99459 126.8000       28.64293 49.21605 5.930530 50.42152 5.915963 -1.205475      8.376741 
1 1 1 -19 2  3  o 73.58930 3.824097 266.3629       27.45094 243.9000       37.49893 292.3000       40.29465 70.21379 5.500066 76.91914 5.385921 -6.705353      7.697978 
1 1 1 -19 2  4  o 132.1492 3.728039 857.2560       48.17450 883.6000       82.19761 843.4727       59.45618 133.7988 6.293900 130.9729 4.645128 2.825897       7.822429 
1 1 1 -19 2  5  o 59.09127 3.534454 171.8437       20.34991 151.9000       31.37928 186.3195       26.73390 55.24918 5.893321 61.44082 4.475982 -6.191643      7.400382 
1 1 1 -19 2  6  o 116.9745 4.214074 672.4630       48.17139 673.6000       67.74415 671.3000       68.51162 116.8340 5.943268 116.6211 6.022190 0.2129440      8.461040 
1 1 1 -19 2  7  o 90.99599 3.928160 407.0348       34.90548 401.9000       47.99556 412.8000       50.85615 90.23414 5.459597 91.41774 5.711923 -1.183601      7.901472 
1 1 1 -19 2  8  o 33.13666 5.977906 55.69820       18.67615 77.04000       25.23244 29.84000       27.77427 38.95897 6.867619 25.85183 8.978293 13.10714       11.30371 
1 1 1 -19 2  9  o 48.24247 4.546424 115.3124       21.21555 120.9000       28.81747 108.7000       31.34874 49.17216 6.119323 46.40189 7.129807 2.770267       9.395758 
1 1 1 -19 2  10 o 156.6897 4.943201 1208.015       75.72012 1247.000       108.4997 1171.000       105.7231 158.7804 6.998320 153.8468 7.039269 4.933578       9.926116 
1 1 1 -19 2  11 o 89.09175 3.514702 389.9496       30.58998 353.5047       38.22060 454.9000       51.02339 84.69659 4.627843 95.99478 5.452619 -11.29819      7.151782 
1 1 1 -19 2  12 o 110.3125 3.593079 597.6694       38.74519 581.5465       48.65952 625.6000       64.04521 108.6917 4.583966 112.5438 5.833694 -3.852158      7.419213 
1 1 1 -19 2  13 o 214.0526 5.112755 2254.017       107.1227 2190.040       129.7487 2391.000       189.8564 210.6204 6.300641 219.1609 8.868572 -8.540527      10.87886 
1 1 1 -19 2  14 o 57.70930 3.917782 164.2484       21.99935 125.3690       28.49670 221.6000       34.61048 50.09200 5.926587 66.88746 5.330426 -16.79546      7.971064 
1 1 1 -19 2  15 o 56.53535 3.579188 157.4860       19.70496 146.5172       27.05090 169.8860       28.76178 54.31985 5.149127 58.53873 5.069487 -4.218880      7.225871 
1 1 1 -19 2  16 o 111.8146 3.237874 613.8859       35.40032 581.8380       48.88057 649.2355       51.33693 108.6715 4.605749 114.8081 4.577437 -6.136642      6.493524 
1 1 1 -19 2  17 o 108.9495 3.249464 582.9524       34.61446 568.0176       48.26719 598.7662       49.66731 107.3556 4.603963 110.2265 4.613595 -2.870972      6.517801 
1 1 1 -19 2  18 o 116.7834 3.294220 669.9138       37.61888 641.2338       52.24055 700.8047       54.21672 114.0400 4.689991 119.2345 4.654360 -5.194504      6.607502 
1 1 1 -19 2  19 o 106.6593 3.129427 558.8002       32.63623 519.4793       44.96018 602.5960       47.44958 102.6350 4.486178 110.5722 4.392839 -7.937180      6.278760 
1 1 1 -19 2  20 o 60.90815 3.402591 182.7834       20.20513 195.0733       28.05776 169.5448       29.12060 62.76097 4.599210 58.39516 5.147319 4.365814       6.902726 
1 1 1 -19 2  21 f 113.5942 3.625184 635.0378       40.25648 581.3904       48.19228 758.9000       73.22715 108.5104 4.547404 123.5929 6.071608 -15.08246      7.585731 
1 1 1 -19 2  22 o 9.101329 4.503148 -34.01736      14.85800 -48.38160      18.64174 -9.000000      24.60174 9.746845 4.859380 16.69941 7.440834 -6.952568      8.887046 
1 1 1 -19 2  23 o 40.46273 5.407957 82.50503       20.88296 69.37000       41.13054 87.06703       24.23968 36.40155 10.78028 41.41513 6.167291 -5.013580      12.41974 
1 1 1 -19 2  24 o 20.37431 6.558655 20.25034       14.85674 16.76499       20.25588 24.30828       21.85651 20.50450 7.598420 22.98739 7.965609 -2.482891      11.00849 
1 1 1 -19 2  25 o 50.03304 3.706549 124.0671       18.02344 136.2437       25.00823 110.9069       25.99858 52.19842 4.953926 46.85305 5.792207 5.345371       7.621748 
1 1 1 -19 2  26 o 37.93318 4.558982 72.26628       16.58867 67.66974       22.63931 77.59544       24.37678 36.19085 6.635290 38.81078 6.656296 -2.619934      9.398582 
1 1 1 -19 2  27 o 61.47965 3.778170 187.3683       22.62645 159.3000       34.04025 209.5856       30.28516 56.01009 6.319167 64.78900 4.809847 -8.778908      7.941442 
1 1 1 -19 2  28 o 67.13743 4.026918 223.9361       26.34165 207.2146       30.55793 272.3000       51.96941 64.34384 4.888472 72.84907 7.390307 -8.505226      8.860801 
1 1 1 -19 2  29 o 25.26412 6.612987 33.50290       16.54117 31.29622       22.71513 35.99403       24.13486 24.90931 8.117179 26.42654 8.343174 -1.517227      11.64032 
1 1 1 -19 2  30 o 29.91248 6.210465 46.78273       17.58814 41.74368       24.44891 52.18758       25.32076 28.08847 8.309704 31.20097 8.189100 -3.112501      11.66673 
1 1 1 -19 2  31 o 88.97026 3.351350 391.9498       29.13358 408.8732       41.49147 375.4921       40.91674 90.36950 4.706848 86.53188 4.850208 3.837616       6.758619 
1 1 1 -19 2  32 o 30.21862 6.591231 48.26870       18.94596 51.32991       26.43484 45.03547       27.16745 30.78215 8.495848 28.99185 8.802260 1.790298       12.23353 
1 1 1 -19 2  33 o 17.43862 7.112697 7.243191       19.15849 13.07857       26.32902 0.6764780      27.93020 20.87198 8.401402 19.03708 8.217280 1.834904       11.75190 
1 1 1 -19 2  34 o 56.38106 5.111617 161.3146       27.90342 181.4689       32.72217 107.6000       53.42004 59.58451 5.679121 42.68434 12.18482 16.90017       13.44329 
1 1 1 -19 2  35 o 45.25232 6.184334 106.4870       26.67705 112.8430       31.44106 90.15000       50.40728 46.14972 7.194742 39.05137 12.01588 7.098351       14.00521 
1 1 1 -19 2  36 o 27.89499 7.449317 42.26223       20.72311 15.86324       29.18937 69.09073       29.42587 21.94869 8.842063 35.26970 8.601820 -13.32100      12.33586 
1 1 1 -19 2  37 o 28.72058 8.201236 45.67479       24.19683 33.56000       41.66899 51.83827       29.72131 27.25141 10.69772 30.35037 9.205032 -3.098957      14.11290 
1 1 1 -19 2  38 o 14.55433 6.973735 -34.10965      28.43154 0.000000       0.000000 -34.10965      28.43154 ?        ?        14.55433 6.973735 ?              ?        
1 1 1 -19 2  39 f 44.99410 5.503297 105.7986       23.73341 101.9532       34.01284 109.4476       33.13268 42.41423 8.489150 44.36275 7.920778 -1.948524      11.61053 
1 1 1 -19 2  40 o 32.78694 7.321654 59.86479       22.90267 104.4268       33.14022 19.12476       31.68717 43.02533 8.167750 22.52948 9.162963 20.49584       12.27485 
1 1 1 -19 2  41 o 31.45078 8.271082 57.15677       25.79700 55.39865       32.56265 60.12000       42.27443 30.42371 9.701398 31.27144 11.06040 -0.8477325     14.71222 
1 1 1 -19 2  42 o 21.48004 8.408006 20.36594       25.67824 6.759801       32.40444 43.33000       42.09801 20.40048 8.828473 27.91128 10.81072 -7.510807      13.95757 
1 1 1 -19 2  43 o 21.62520 8.140256 22.81671       23.43114 26.43088       33.34884 19.29309       32.92842 23.84772 9.504025 22.48525 9.264885 1.362463       13.27270 
1 1 1 -19 2  44 o 12.20969 5.949449 -35.68550      22.96643 -34.13240      32.81159 -37.17725      32.15717 15.62605 7.488427 15.17288 7.307841 0.4531736      10.46332 
1 1 1 -19 2  45 o 30.48920 8.262661 55.17347       25.26868 33.22276       35.77067 77.03761       35.70006 25.08517 9.892072 34.82417 9.967396 -9.739004      14.04286 
1 1 1 -19 2  46 o 42.43439 6.638382 99.81660       26.67012 98.55901       38.49459 100.9775       36.98517 39.32795 9.983820 40.27041 9.531865 -0.9424591     13.80337 
1 1 1 -19 2  47 o 16.02770 7.258789 -5.721655      24.49876 5.901693       36.04202 -15.70424      33.40142 20.48484 9.073616 17.31959 8.069846 3.165257       12.14302 
1 1 1 -19 2  48 o 30.67191 8.355553 57.43342       25.76086 40.22681       37.67477 72.54218       35.30346 25.98251 10.18028 33.12015 10.02961 -7.137638      14.29094 
1 1 1 -19 2  49 o 24.56497 8.644034 35.63734       25.79539 51.57624       36.67035 20.02483       36.29296 28.22117 10.26224 22.46084 9.521873 5.760332       13.99927 
1 1 1 -19 2  50 o 48.54324 6.976871 133.5999       32.19973 147.0714       39.05383 105.0000       56.90332 49.59347 8.340858 36.22555 12.83035 13.36792       15.30319 
1 1 1 -19 2  51 o 21.68814 8.425542 24.35778       25.62943 19.69050       37.59005 28.41228       35.03560 22.43149 9.605418 23.51769 9.608528 -1.086193      13.58631 
1 1 1 -19 2  52 o 48.91790 8.671424 145.9879       40.00070 164.8000       58.81750 129.8000       54.56106 46.63072 12.59298 41.03025 12.47762 5.600468       17.72778 
1 1 1 -19 2  53 o 21.33030 8.844028 20.17766       30.26039 -32.84000      53.03489 45.76943       36.84695 19.67856 9.454035 26.60844 10.16345 -6.929878      13.88072 
1 1 1 -19 2  54 o 35.34990 8.953737 80.02462       31.01024 67.40000       56.44471 85.48247       37.11290 29.56377 12.15045 35.20459 10.18957 -5.640816      15.85751 
1 1 1 -19 2  55 o 36.61568 10.19022 93.54745       37.85647 138.9000       55.76815 54.79000       51.55408 41.07861 12.63852 27.53883 11.49113 13.53978       17.08152 
1 1 1 -19 2  56 o 20.24591 8.607781 16.96897       29.80594 34.11530       37.30022 -13.32000      49.57562 23.81860 9.842093 19.97178 9.467312 3.846821       13.65638 
1 1 1 -19 3  1  o 42.25133 4.473811 88.61884       18.22148 66.70000       24.85210 114.1000       26.79563 36.13100 7.279005 47.80417 5.848177 -11.67317      9.337296 
1 1 1 -19 3  2  o 131.4999 3.693918 848.8139       47.49944 744.4000       75.78365 916.3736       60.95933 122.7774 6.327301 136.5324 4.567832 -13.75506      7.803833 
1 1 1 -19 3  3  o 119.0903 3.540996 696.1152       41.23114 717.5000       70.04967 684.7791       51.00178 120.5941 5.952754 118.0203 4.422741 2.573845       7.415924 
1 1 1 -19 3  4  o 31.48134 5.138947 49.95882       15.28977 28.16000       22.39328 68.99657       20.92710 24.43037 8.064967 36.97799 5.986222 -12.54762      10.04383 
1 1 1 -19 3  5  o 93.37990 3.388154 428.1149       30.91735 440.7000       50.46769 420.5541       39.11706 94.50617 5.479151 92.45685 4.334425 2.049324       6.986296 
1 1 1 -19 3  6  o 158.9885 4.137583 1241.437       64.33530 1223.000       108.0784 1251.556       80.06590 157.2839 7.038015 159.4857 5.135542 -2.201797      8.712487 
1 1 1 -19 3  7  o 56.64693 4.172786 158.3529       22.97470 166.1000       31.21858 149.2000       33.93317 57.84077 5.583396 54.64872 6.468926 3.192055       8.545251 
1 1 1 -19 3  8  o 79.92951 3.902596 314.2300       30.44053 317.6000       41.99797 310.5000       44.18400 80.18021 5.382426 79.22427 5.736569 0.9559402      7.866304 
1 1 1 -19 3  9  o 56.15353 3.953262 155.5062       21.59010 165.4872       27.38084 139.1000       35.10468 57.82506 4.883139 52.63934 6.985422 5.185722       8.522979 
1 1 1 -19 3  10 o 88.13170 3.467356 381.5507       29.85303 367.8124       37.71463 404.6000       48.85098 86.42018 4.473726 90.50521 5.540895 -4.085030      7.121499 
1 1 1 -19 3  11 o 154.9789 4.107405 1180.038       62.25342 1176.829       77.21117 1186.000       105.2394 154.6052 5.109126 154.8147 6.962620 -0.2094727     8.636044 
1 1 1 -19 3  12 o 169.3975 4.333652 1410.445       71.79770 1377.912       87.82410 1476.000       124.6695 167.2385 5.371986 172.5918 7.396771 -5.353271      9.141688 
1 1 1 -19 3  13 o 123.5641 3.691600 749.9368       44.59908 747.7366       55.87362 753.8000       74.03876 123.2543 4.639534 123.4914 6.144444 -0.2370377     7.699316 
1 1 1 -19 3  14 o 71.53633 3.639699 251.7872       25.40204 237.5272       32.52147 274.1000       40.68073 69.33356 4.822091 74.38447 5.629059 -5.050911      7.412076 
1 1 1 -19 3  15 o 141.0251 3.968459 977.5139       54.72584 932.2082       66.68081 1071.000       95.78507 137.5496 4.960747 147.0592 6.671631 -9.509567      8.313825 
1 1 1 -19 3  16 o 121.1713 3.344599 721.0148       39.63094 708.5143       55.29660 734.2172       56.82800 119.9144 4.720305 122.0656 4.765387 -2.151146      6.707473 
1 1 1 -19 3  17 o 103.4803 3.208179 525.9214       32.45618 509.0395       44.93426 544.3367       46.93073 101.6258 4.528553 105.0896 4.573327 -3.463806      6.436080 
1 1 1 -19 3  18 o 198.1646 4.195719 1930.971       81.38395 1889.493       113.6841 1974.573       116.5583 195.4733 5.948555 199.8237 5.965912 -4.350311      8.424809 
1 1 1 -19 3  19 o 70.61385 3.217140 245.2758       22.17806 233.6618       30.66170 258.0193       32.11799 68.73659 4.583429 72.24812 4.565010 -3.511536      6.468936 
1 1 1 -19 3  20 o 130.2364 3.799741 834.6683       48.38693 794.8511       58.66444 919.4000       85.57818 126.8981 4.731236 136.0099 6.446504 -9.111740      7.996375 
1 1 1 -19 3  21 f 94.42330 3.736091 439.1819       34.46234 403.8000       61.76401 455.1770       41.52776 89.77428 7.086159 96.00549 4.431075 -6.231209      8.357516 
1 1 1 -19 3  22 o 66.30991 3.221304 216.5663       20.84563 233.0335       29.14733 199.3249       29.82468 68.61467 4.362449 63.34934 4.846605 5.265327       6.520777 
1 1 1 -19 3  23 o 33.66000 4.810685 57.10415       15.39964 38.59752       20.40499 81.59338       23.47255 27.30727 7.435350 40.05450 6.185955 -12.74724      9.672149 
1 1 1 -19 3  24 o 77.96446 3.096679 299.3424       23.58492 324.2763       33.13136 273.7264       33.58141 80.94666 4.195839 74.25639 4.643422 6.690269       6.258309 
1 1 1 -19 3  25 o 72.41520 3.199426 258.5586       22.62219 266.7823       31.40656 249.6912       32.61274 73.32233 4.396194 70.84881 4.729803 2.473526       6.457365 
1 1 1 -19 3  26 o 82.36555 3.104100 334.4061       24.98100 310.7766       34.08437 361.8306       36.71954 79.10571 4.419481 85.37736 4.408814 -6.271645      6.242552 
1 1 1 -19 3  27 o 108.9669 3.226051 585.5784       34.37111 550.4869       47.22067 625.1200       50.12544 105.2352 4.595295 112.1617 4.575304 -6.926559      6.484608 
1 1 1 -19 3  28 o 96.21771 3.578201 457.9337       33.64099 381.6000       51.04179 516.5597       44.73140 86.96210 6.033805 101.8929 4.496068 -14.93085      7.524721 
1 1 1 -19 3  29 o 63.66902 4.223209 202.1126       26.17070 180.2125       30.44473 264.1000       51.22020 59.79936 5.254649 71.54435 7.421772 -11.74499      9.093626 
1 1 1 -19 3  30 o 102.6525 3.307499 521.1478       33.19007 517.4018       46.48490 525.0434       47.40430 101.7543 4.679692 102.4777 4.738701 -0.7234573     6.659940 
1 1 1 -19 3  31 o 35.27064 5.812279 64.28800       19.36789 44.64088       26.30150 87.56238       28.62663 28.91729 8.634661 40.70269 7.460064 -11.78540      11.41096 
1 1 1 -19 3  32 o 16.89547 6.871723 6.827012       17.82195 0.9507308      24.13597 13.87221       26.42775 17.88211 7.677805 21.10550 8.444000 -3.223396      11.41270 
1 1 1 -19 3  33 o 17.92061 7.504122 4.904212       22.10161 10.11516       25.07530 -13.24000      46.79043 19.91156 8.131213 22.38920 10.09588 -2.477636      12.96316 
1 1 1 -19 3  34 o 36.85564 7.116342 72.30094       24.74279 64.23327       28.66951 95.85000       48.98161 34.19216 8.580863 40.50411 11.70082 -6.311951      14.51001 
1 1 1 -19 3  35 o 16.29771 6.945128 1.860176       19.48151 6.450360       27.93040 -2.488812      27.18669 19.92004 8.394314 18.18847 7.974983 1.731569       11.57864 
1 1 1 -19 3  36 o 19.59775 7.709577 13.66211       21.68149 26.63000       34.17331 4.925138       28.05000 25.03065 9.727679 19.61382 8.345118 5.416832       12.81674 
1 1 1 -19 3  37 o 71.57049 4.247944 258.2120       29.62518 319.0000       49.95412 225.2339       36.79381 78.03183 6.602135 66.02987 5.750120 12.00196       8.755116 
1 1 1 -19 3  38 o 67.49483 4.125113 229.9855       27.12273 261.9365       40.36583 203.6870       36.62160 70.97314 5.862750 62.40288 6.072215 8.570255       8.440594 
1 1 1 -19 3  39 o 27.90036 8.822668 44.29149       26.97881 17.50000       54.19176 53.11961       31.10777 26.12921 11.36155 30.17448 9.464633 -4.045267      14.78729 
1 1 1 -19 3  40 o 22.60366 8.046568 26.31528       22.40656 39.53068       31.98229 13.57587       31.40104 26.75864 9.603420 21.46112 8.962602 5.297512       13.13598 
1 1 1 -19 3  41 o 19.79833 7.867384 15.26601       22.78773 9.435881       31.65913 21.53382       32.82599 20.71409 8.841145 23.02357 9.340073 -2.309481      12.86090 
1 1 1 -19 3  42 o 20.12407 8.228639 14.00309       25.72077 -0.5679309     32.24094 39.51000       42.65712 19.28289 8.559347 27.26133 10.78607 -7.978436      13.76959 
1 1 1 -19 3  43 o 31.74965 8.649611 59.69418       27.60513 62.25739       35.03933 55.50000       44.82157 31.67932 10.05920 30.03971 11.26903 1.639612       15.10558 
1 1 1 -19 3  44 o 19.23669 7.926958 12.14229       24.10733 11.26351       34.57695 12.97353       33.62864 21.33963 9.176363 21.41834 9.125944 -0.7871056E-01 12.94173 
1 1 1 -19 3  45 o 25.65534 8.589215 38.43134       25.37901 67.71911       36.73413 11.68523       35.10402 32.42460 10.30004 21.39176 9.222861 11.03284       13.82578 
1 1 1 -19 3  46 o 32.72714 8.164383 63.69171       26.06637 31.61741       37.55442 93.50934       36.20921 24.79367 10.01470 38.58746 9.620456 -13.79379      13.88695 
1 1 1 -19 3  47 o 21.86460 8.309255 24.90428       24.55011 56.13447       36.04074 -2.130992      33.53294 29.34791 10.22539 18.91606 8.536699 10.43186       13.32043 
1 1 1 -19 3  48 o 17.01096 7.522928 0.7163196      24.67991 21.17871       36.08378 -17.27020      33.83042 22.58649 9.530822 17.20131 8.049744 5.385180       12.47537 
1 1 1 -19 3  49 o 57.15313 6.191241 179.0336       34.08325 160.1471       41.29388 219.4000       60.36985 51.80859 8.432618 57.10247 11.20122 -5.293877      14.02057 
1 1 1 -19 3  50 f 44.52388 6.345708 110.0673       26.87359 92.02236       38.82961 126.6568       37.23078 36.99733 10.32923 45.64877 8.648849 -8.651440      13.47203 
1 1 1 -19 3  51 o 18.79933 8.527379 -2.479278      33.97045 52.41000       51.88217 -43.67000      44.94424 28.14466 11.61646 17.54418 8.496145 10.60048       14.39189 
1 1 1 -19 3  52 o 20.83581 8.696302 17.53877       29.53686 1.726000       53.70623 24.39560       35.36570 22.55656 10.41342 22.81826 9.519138 -0.2616959     14.10862 
1 1 1 -19 3  53 o 57.43569 5.283784 177.0539       29.37259 199.0316       42.57974 157.1007       40.57123 58.28438 7.647878 50.84859 8.447717 7.435787       11.39535 
1 1 1 -19 3  54 o 17.65959 7.955739 -0.8256306     28.97790 -7.214000      52.77523 1.931714       34.67214 21.35748 10.01380 19.25671 8.686373 2.100777       13.25629 
1 1 1 -19 3  55 o 25.39062 8.819159 41.29383       26.79882 47.43681       39.38866 35.99947       36.56696 26.40986 10.39075 24.34609 9.864736 2.063765       14.32762 
1 1 1 -19 3  56 o 24.79585 9.961438 39.93952       36.93783 -11.37000      52.29137 91.04000       52.18475 20.50847 9.722146 32.50989 12.16695 -12.00142      15.57417 
1 1 1 -19 4  1  o 214.2058 6.198710 2261.422       129.8320 2183.000       179.7309 2347.000       187.7521 209.7207 8.774770 217.4463 8.839603 -7.725555      12.45533 
1 1 1 -19 4  2  o 82.28224 3.823508 332.8459       30.71039 301.1000       41.76912 370.2000       45.30857 78.05465 5.502273 86.60625 5.371152 -8.551605      7.689231 
1 1 1 -19 4  3  o 59.08096 3.984470 172.0457       22.90746 140.7000       30.88063 210.4000       34.15894 53.12379 6.046161 65.19235 5.401494 -12.06856      8.107540 
1 1 1 -19 4  4  o 144.5161 3.897594 1025.424       55.08362 1056.000       94.54043 1009.710       67.77637 146.2185 6.622745 143.2790 4.839643 2.939438       8.202616 
1 1 1 -19 4  5  o 139.9962 3.832700 962.2553       52.47091 959.2000       88.42541 963.9158       65.18823 139.3596 6.500280 139.9962 4.764091 -0.6365356     8.059170 
1 1 1 -19 4  6  o 163.1544 4.201363 1307.525       67.03993 1329.000       114.6965 1296.382       82.62309 163.9265 7.165477 162.2994 5.207637 1.627075       8.857965 
1 1 1 -19 4  7  o 52.44611 4.316834 135.9522       21.96476 127.8000       29.30696 146.4000       33.17760 50.59148 6.037163 54.13792 6.383494 -3.546444      8.786145 
1 1 1 -19 4  8  o 102.5814 4.069165 517.3041       40.77721 491.7000       55.39004 547.6000       60.25159 99.79099 5.694303 105.3002 5.868873 -5.509224      8.177332 
1 1 1 -19 4  9  o 72.43416 3.572752 257.9919       25.25285 237.7861       31.99064 291.4000       41.13498 69.40410 4.737436 76.75878 5.511599 -7.354683      7.267807 
1 1 1 -19 4  10 o 88.46389 3.910256 384.8350       33.77559 400.9000       47.56807 368.5000       47.96623 90.10200 5.418591 86.32723 5.708556 3.774765       7.870751 
1 1 1 -19 4  11 o 111.9706 3.604616 615.7674       39.45507 593.7988       49.16726 655.5000       66.12239 109.8326 4.583468 115.1996 5.883448 -5.367073      7.458092 
1 1 1 -19 4  12 o 188.9556 4.661217 1754.918       86.21151 1720.975       105.2823 1824.000       150.1961 186.8210 5.764259 191.6749 8.023219 -4.853928      9.879207 
1 1 1 -19 4  13 o 81.17052 3.520785 323.8718       27.90679 288.0262       34.44926 392.3000       47.59700 76.41057 4.627655 89.09348 5.484507 -12.68291      7.176002 
1 1 1 -19 4  14 o 147.6754 4.057131 1071.868       58.58975 1006.299       70.59483 1217.000       105.0284 142.9146 5.054454 156.7588 6.861545 -13.84413      8.522224 
1 1 1 -19 4  15 o 71.86385 3.664429 254.1800       25.69135 226.1178       31.99685 305.1000       43.10135 67.61736 4.866963 78.47186 5.649200 -10.85450      7.456594 
1 1 1 -19 4  16 o 101.4752 3.625963 506.1919       35.95761 552.7000       57.52200 476.3617       46.06783 105.7304 5.577851 98.26980 4.803850 7.460609       7.361345 
1 1 1 -19 4  17 o 137.2849 3.377167 925.1055       45.38179 903.3493       63.44665 947.8969       64.93843 135.3771 4.795611 138.6798 4.791100 -3.302734      6.778829 
1 1 1 -19 4  18 o 30.07919 5.315021 45.92143       15.07650 45.28405       19.67659 46.82766       23.46230 29.64107 6.909902 30.12560 7.871202 -0.4845276     10.47390 
1 1 1 -19 4  19 o 87.79070 3.474831 379.1547       29.80092 366.0962       36.73285 404.3000       50.97251 86.13302 4.371203 90.25416 5.800534 -4.121140      7.263168 
1 1 1 -19 4  20 o 64.69782 4.085802 206.8011       25.74242 180.6000       48.38417 217.1462       30.40259 59.46586 8.558630 66.20045 4.722865 -6.734596      9.775254 
1 1 1 -19 4  21 o 66.44520 3.255179 217.4229       21.10673 216.8907       29.12492 218.0115       30.63082 66.17319 4.523727 66.30428 4.751154 -0.1310883     6.560303 
1 1 1 -19 4  22 o 47.26076 3.762172 110.6193       17.26031 98.73717       23.16317 125.4546       25.88203 44.33085 5.452841 50.06453 5.365134 -5.733685      7.649715 
1 1 1 -19 4  23 o 84.19392 3.046877 348.8238       25.06832 330.0296       34.34804 370.2444       36.66964 81.66657 4.312144 86.50495 4.344621 -4.838379      6.121300 
1 1 1 -19 4  24 o 82.96272 3.062822 338.8936       24.82932 329.3426       34.15338 349.6000       36.16043 81.54632 4.293943 83.99572 4.413640 -2.449402      6.157773 
1 1 1 -19 4  25 o 85.38599 3.412249 359.6832       28.46151 345.3886       34.36560 390.9000       50.78461 83.49300 4.218686 88.33476 5.907418 -4.841759      7.259125 
1 1 1 -19 4  26 o 15.35881 6.206162 5.429874       14.42841 23.66033       18.52679 -22.66962      23.00121 22.10069 7.337232 14.06808 6.600768 8.032617       9.869403 
1 1 1 -19 4  27 o 92.22153 3.846128 421.0711       34.64240 381.9000       62.08109 438.7839       41.74645 86.47939 7.405200 93.92979 4.554138 -7.450409      8.693512 
1 1 1 -19 4  28 o 67.14658 3.461932 223.2136       22.67670 209.8463       30.76565 239.1147       33.55498 64.72867 4.892041 69.08533 4.995840 -4.356659      6.992173 
1 1 1 -19 4  29 o 68.62667 3.833335 233.9912       25.64759 274.5000       40.09842 205.9446       33.36512 73.74787 5.596625 63.89816 5.384614 9.849712       7.766355 
1 1 1 -19 4  30 o 81.63261 4.031077 331.5957       32.11039 348.5000       38.31396 291.7000       58.86005 83.44457 4.709984 74.65353 8.189238 8.791039       9.447093 
1 1 1 -19 4  31 f 97.51584 3.356330 470.9452       31.98882 472.6486       45.04776 469.2125       45.43274 97.12109 4.753073 96.73804 4.813174 0.3830414      6.764492 
1 1 1 -19 4  32 o 19.26683 7.606438 12.15562       21.17216 -8.968807      23.77945 92.95000       46.50504 16.09534 7.232694 40.31754 11.32149 -24.22221      13.43458 
1 1 1 -19 4  33 o 33.77010 7.344738 61.05563       23.58527 59.64971       26.87950 65.76000       49.16892 33.08449 8.311920 34.54961 11.94866 -1.465122      14.55536 
1 1 1 -19 4  34 o 15.37779 6.663548 -0.9261301     18.50911 11.93549       25.24823 -15.86826      27.21382 20.27853 8.204119 16.32533 7.491438 3.953196       11.10987 
1 1 1 -19 4  35 o 55.72165 4.693716 157.1090       25.36261 135.1000       39.43241 172.6385       33.12322 49.91361 8.366833 57.88232 5.930031 -7.968708      10.25520 
1 1 1 -19 4  36 o 38.62597 6.386810 78.72419       23.30418 159.3000       37.36627 27.43267       29.81262 54.83214 7.130823 24.44328 9.186150 30.38886       11.62901 
1 1 1 -19 4  37 o 46.71648 5.022192 111.9865       22.60494 111.5250       32.24980 112.4322       31.69388 45.38477 7.522867 45.67550 7.337440 -0.2907295     10.50864 
1 1 1 -19 4  38 o 20.08102 7.669736 17.11202       20.98277 27.75413       30.06500 7.005913       29.29810 24.23116 9.198415 20.05801 8.531240 4.173147       12.54563 
1 1 1 -19 4  39 o 63.09225 5.321052 206.3275       32.55490 228.7000       64.48846 198.6762       37.71306 61.18337 11.18003 61.16361 6.393636 0.1976013E-01  12.87912 
1 1 1 -19 4  40 o 26.42800 9.083923 39.08517       28.40291 36.91000       57.46999 39.78818       32.67196 28.62753 12.05111 26.83514 9.696695 1.792383       15.46787 
1 1 1 -19 4  41 o 47.80136 5.573695 120.3666       25.59017 94.41935       35.72748 147.7022       36.67088 39.81999 9.330407 51.65386 7.469537 -11.83387      11.95201 
1 1 1 -19 4  42 o 23.46371 8.270907 29.66513       23.62407 49.96278       33.39926 9.342620       33.41971 28.90904 9.852959 20.99234 9.024185 7.916698       13.36102 
1 1 1 -19 4  43 o 23.71121 8.755028 29.70439       26.84877 15.97284       34.78531 49.94000       42.22738 22.22450 9.366821 28.92543 10.91925 -6.700930      14.38636 
1 1 1 -19 4  44 o 35.40040 8.417584 73.93143       28.73871 59.12077       36.64627 97.59000       46.31663 30.62762 10.32182 38.05584 11.48020 -7.428215      15.43810 
1 1 1 -19 4  45 o 46.61322 5.980728 117.2330       26.65989 131.3016       38.47885 104.2449       36.97184 47.14941 8.656477 41.25932 9.369205 5.890091       12.75604 
1 1 1 -19 4  46 o 33.39501 8.027799 65.97050       25.91593 74.34093       37.86776 58.59593       35.54385 33.56752 10.42941 30.14750 10.16539 3.420015       14.56392 
1 1 1 -19 4  47 o 31.58643 8.030678 59.66499       24.87997 61.08965       36.83398 58.46959       33.74039 30.38876 10.34738 30.03676 9.898908 0.3519974      14.31980 
1 1 1 -19 4  48 o 48.59799 6.954065 133.3877       32.13803 129.1419       39.34494 141.9000       55.70988 45.72936 9.110073 43.65200 12.43741 2.077358       15.41696 
1 1 1 -19 4  49 o 21.14347 8.242231 22.21051       24.59278 57.75939       36.52872 -7.260211      33.25959 29.48305 10.29296 18.13877 8.308041 11.34427       13.22757 
1 1 1 -19 4  50 o 24.42521 9.570892 33.95214       33.30168 74.67000       51.07838 3.848000       43.91954 31.63730 11.99421 21.43628 9.712559 10.20102       15.43356 
1 1 1 -19 4  51 o 28.84526 9.191206 53.22750       29.23217 29.78000       54.40200 62.74570       34.66122 25.45239 11.21632 30.61316 10.03019 -5.160765      15.04695 
1 1 1 -19 4  52 o 18.23026 7.806013 8.334430       24.82327 -2.786319      36.64590 17.76375       33.74416 19.26885 8.785667 21.50450 9.151415 -2.235651      12.68607 
1 1 1 -19 4  53 o 66.04588 4.696948 229.5695       30.16647 254.9834       44.52044 207.9968       41.01812 67.04374 6.881725 60.27333 7.087874 6.770409       9.879074 
1 1 1 -19 4  54 o 26.72226 8.641225 45.32064       25.77073 86.34075       38.03839 10.51852       35.03697 35.12136 10.35837 20.42328 9.000666 14.69807       13.72253 
1 1 1 -19 4  55 o 33.58296 9.096021 74.36866       30.63298 97.16000       55.75211 64.51257       36.66307 33.40785 12.56067 29.95458 10.31969 3.453276       16.25627 
1 1 1 -19 4  56 o 18.26348 7.890975 9.410822       25.80507 -12.22808      37.89197 28.12674       35.23994 18.06045 8.473404 22.70998 9.490179 -4.649525      12.72250 
1 1 1 -19 5  1  o 133.8753 4.501684 881.0892       58.90653 787.0000       78.97197 999.1000       88.44306 126.2194 6.413076 142.2610 6.367568 -16.04167      9.037338 
1 1 1 -19 5  2  o 94.51125 3.920524 439.0276       36.19010 422.1000       50.29650 457.2000       52.11288 92.46362 5.583274 96.24858 5.555122 -3.784958      7.876061 
1 1 1 -19 5  3  o 197.0409 5.818594 1912.552       112.0997 1753.000       150.3963 2112.000       168.1514 188.0326 8.191074 206.3742 8.341321 -18.34160      11.69065 
1 1 1 -19 5  4  o 167.5798 5.172938 1381.921       84.75097 1292.000       115.2017 1488.000       125.1242 161.5916 7.302263 173.4167 7.388230 -11.82515      10.38793 
1 1 1 -19 5  5  o 148.7231 4.791351 1087.860       69.65874 1068.000       97.00996 1109.000       100.0867 146.9999 6.760168 149.7824 6.844772 -2.782501      9.620332 
1 1 1 -19 5  6  o 160.0923 5.010631 1260.996       78.42131 1242.000       109.4985 1281.000       112.3660 158.4653 7.077259 160.9211 7.151583 -2.455826      10.06145 
1 1 1 -19 5  7  o 88.80077 3.524267 387.3789       30.57232 381.9245       38.49162 396.7000       50.31822 88.07063 4.479792 89.58704 5.768840 -1.516411      7.303975 
1 1 1 -19 5  8  o 100.1711 3.991838 493.2743       39.06167 487.4000       54.45660 499.5000       56.06143 99.35515 5.622507 100.5696 5.718531 -1.214500      8.019612 
1 1 1 -19 5  9  o 27.20769 6.511347 37.96936       17.10912 63.30000       23.23426 7.963000       25.28789 35.20002 6.989977 20.12269 8.185041 15.07733       10.76358 
1 1 1 -19 5  10 o 88.30869 3.488650 383.1479       30.09620 387.5740       38.61634 376.3000       48.03318 88.70973 4.461595 87.23910 5.655497 1.470634       7.203504 
1 1 1 -19 5  11 o 96.84378 3.507819 460.7172       33.19687 438.7416       41.28828 500.9000       55.83118 94.39037 4.481620 100.6893 5.687967 -6.298897      7.241401 
1 1 1 -19 5  12 f 131.3361 3.829878 847.4020       49.18257 812.1859       60.11409 918.7000       85.53500 128.4378 4.790037 136.2956 6.429566 -7.857834      8.017715 
1 1 1 -19 5  13 o 31.34950 5.954055 50.03420       17.60255 49.29990       21.94227 51.36000       29.48368 30.95281 7.352037 31.72909 9.050575 -0.7762794     11.66042 
1 1 1 -19 5  14 o 173.1883 4.432144 1475.325       75.07262 1434.342       91.45354 1560.000       131.4533 170.5373 5.485805 177.2450 7.594500 -6.707733      9.368590 
1 1 1 -19 5  15 o 131.1935 4.484895 847.3231       57.50848 896.6000       81.94500 799.5000       80.72721 134.5964 6.236848 127.0177 6.514826 7.578682       9.018938 
1 1 1 -19 5  16 o 93.34857 3.478331 428.3436       31.72668 414.9910       38.89337 454.9000       54.85001 91.76730 4.342252 95.82374 5.876122 -4.056442      7.306434 
1 1 1 -19 5  17 o 107.6311 3.159145 568.9481       33.24630 569.4214       46.32588 568.4454       47.74078 107.4978 4.412065 107.3820 4.552379 0.1158371      6.339596 
1 1 1 -19 5  18 o 91.66141 4.025243 413.8929       36.02670 397.5000       48.64899 433.8000       53.61051 89.55406 5.577552 93.50334 5.887444 -3.949280      8.109938 
1 1 1 -19 5  19 o 100.5113 3.712363 497.2352       36.46067 444.4000       64.62855 521.9020       44.15903 94.30692 7.052303 102.8624 4.396018 -8.555443      8.310232 
1 1 1 -19 5  20 o 25.64262 5.901385 33.84935       14.50473 26.73792       18.89186 44.06094       22.63825 23.31502 7.384162 29.19078 7.781675 -5.875759      10.72755 
1 1 1 -19 5  21 o 133.2132 3.346331 872.7080       43.59917 892.4504       62.28450 853.7397       61.05109 134.3877 4.742372 131.4342 4.753292 2.953415       6.714453 
1 1 1 -19 5  22 o 66.53326 3.194246 218.0693       20.74163 230.5412       28.55403 204.1370       30.17962 68.23766 4.296824 64.09104 4.846643 4.146622       6.477087 
1 1 1 -19 5  23 o 28.29274 5.565951 41.07378       14.86484 45.60621       19.31934 34.49679       23.27236 29.63714 6.803705 26.18860 8.182226 3.448542       10.64139 
1 1 1 -19 5  24 f 58.95252 3.360255 171.6339       19.30983 151.8660       25.78911 196.8585       29.13186 55.16927 4.824140 62.87709 4.768922 -7.707825      6.783432 
1 1 1 -19 5  25 o 69.18713 3.165898 236.1061       21.38336 226.5471       28.72094 247.9948       32.03028 67.53126 4.368416 70.59759 4.661242 -3.066330      6.388289 
1 1 1 -19 5  26 o 52.00568 3.658464 134.1270       18.50444 138.6056       24.60365 128.2945       28.07755 52.61941 4.830775 50.35598 5.802380 2.263432       7.550099 
1 1 1 -19 5  27 o 43.43120 4.187243 94.27171       17.58026 94.97779       22.83600 93.24437       27.54547 43.27164 5.516788 42.47546 6.858920 0.7961769      8.802258 
1 1 1 -19 5  28 o 66.89384 3.369595 221.4724       21.99223 186.1867       28.60165 272.5083       34.39770 60.94873 4.833806 73.82037 4.786239 -12.87164      6.802482 
1 1 1 -19 5  29 o 43.88348 4.406597 96.69925       18.67235 99.28781       24.56635 93.15787       28.73414 44.06429 5.839303 42.19768 7.215818 1.866611       9.282537 
1 1 1 -19 5  30 o 41.64939 5.200553 88.20585       20.74066 89.18000       29.36694 87.23636       29.29663 41.07133 7.584212 40.58436 7.655480 0.4869690      10.77621 
1 1 1 -19 5  31 o 44.66271 5.622057 102.0452       24.03465 98.84287       27.73558 111.7000       48.15929 43.55308 6.722076 44.37409 11.11316 -0.8210106     12.98802 
1 1 1 -19 5  32 o 97.61971 4.002710 474.9206       38.16592 497.7111       45.87774 423.7000       68.77760 99.59224 4.719626 89.89478 7.896551 9.697456       9.199477 
1 1 1 -19 5  33 o 22.35847 7.550740 24.82878       19.61082 32.25986       25.97280 14.97410       29.90985 25.31889 8.687187 22.12902 8.937801 3.189873       12.46401 
1 1 1 -19 5  34 o 49.50389 5.138772 124.8617       24.53848 180.0000       37.55158 83.77072       32.41713 58.82203 6.637814 39.00824 8.710536 19.81380       10.95144 
1 1 1 -19 5  35 o 44.90219 5.595974 103.9195       24.06285 134.2000       36.94302 81.60619       31.71266 50.03397 7.797352 38.42821 8.641263 11.60576       11.63916 
1 1 1 -19 5  36 o 56.27944 4.321080 159.9073       23.62182 162.2758       33.15675 157.4662       33.66157 55.83481 6.169593 54.87837 6.385663 0.9564438      8.879222 
1 1 1 -19 5  37 o 19.08504 7.421873 13.97112       19.90289 13.82613       28.11471 14.11678       28.17928 21.09964 8.612371 21.17135 8.629566 -0.7171249E-01 12.19190 
1 1 1 -19 5  38 o 43.06298 5.586858 96.92596       22.99474 103.3837       32.96027 90.80250       32.09591 43.08504 8.113116 40.11854 8.441097 2.966503       11.70789 
1 1 1 -19 5  39 o 20.36087 7.890482 17.49285       22.43541 28.04914       31.93353 7.203431       31.52730 24.33549 9.418344 20.47769 8.783325 3.857801       12.87836 
1 1 1 -19 5  40 o 21.59056 8.728723 17.66089       28.55759 27.23000       57.75647 14.56442       32.85476 27.45077 11.83257 21.89257 9.157050 5.558205       14.96200 
1 1 1 -19 5  41 o 24.53379 9.156246 31.37953       29.51221 69.04000       59.74895 19.22630       33.94168 32.79277 12.82866 22.78178 9.398644 10.01099       15.90311 
1 1 1 -19 5  42 o 39.95315 6.697307 87.40517       25.26529 54.24606       35.72378 120.5893       35.73725 29.86425 10.18982 45.90083 8.257753 -16.03658      13.11575 
1 1 1 -19 5  43 o 33.23392 7.833123 63.61354       25.06182 49.62608       36.69144 75.84668       34.31346 28.69313 10.28755 35.07582 9.678886 -6.382692      14.12496 
1 1 1 -19 5  44 o 16.18949 7.449906 -12.04546      27.17390 -22.81038      35.22153 3.785000       42.71199 17.32024 8.139764 21.87101 9.770724 -4.550766      12.71703 
1 1 1 -19 5  45 o 65.80192 5.319851 228.1881       33.97258 208.7323       43.10197 260.1000       55.20130 60.99916 7.367931 66.60384 8.673085 -5.604675      11.38019 
1 1 1 -19 5  46 o 24.00876 8.571255 32.89149       25.44160 41.57264       37.56628 25.53618       34.57881 26.50649 10.22687 23.33379 9.540992 3.172707       13.98640 
1 1 1 -19 5  47 o 26.69635 9.343344 43.87926       30.11067 36.19035       37.07839 58.77000       51.59963 25.32014 10.04394 29.49489 11.79943 -4.174751      15.49539 
1 1 1 -19 5  48 o 21.85987 8.286514 25.29551       24.37863 16.03799       36.38877 32.83416       32.83728 21.85196 9.405394 24.27769 9.506631 -2.425730      13.37301 
1 1 1 -19 5  49 o 31.56338 8.802105 62.31673       28.21409 31.79000       50.50474 76.16550       34.01712 25.50036 11.02860 34.15102 9.714983 -8.650656      14.69731 
1 1 1 -19 5  50 f 28.95070 9.211514 53.59242       29.37012 86.36000       56.18924 41.27432       34.45109 33.07716 12.57068 25.90213 9.843313 7.175030       15.96599 
1 1 1 -19 5  51 o 36.21465 7.501957 77.02679       25.71756 88.81257       38.18955 67.24693       34.78817 36.21946 10.29029 31.65166 10.01975 4.567799       14.36264 
1 1 1 -19 5  52 o 32.95336 8.004542 65.91935       25.55978 62.41674       37.39882 68.98931       35.01300 30.07809 10.41991 31.89649 10.04623 -1.818401      14.47415 
1 1 1 -19 5  53 o 44.35756 6.349489 110.0997       26.78310 85.97234       39.12577 131.3751       36.74068 35.08500 10.54424 46.50178 8.380013 -11.41679      13.46869 
1 1 1 -19 5  54 o 22.60361 8.450527 29.65145       25.16011 31.75958       37.24581 27.88206       34.12254 23.85896 9.844506 22.94883 9.441092 0.9101391      13.63996 
1 1 1 -19 5  55 o 22.64481 8.531381 30.47449       25.74911 64.53821       38.04069 1.670180       34.98091 29.72291 10.49383 19.06809 8.650867 10.65481       13.59993 
1 1 1 -19 5  56 o 26.95534 9.313909 49.55989       29.87290 30.40000       54.77271 57.67226       35.64030 24.29739 10.94267 28.23082 10.13703 -3.933437      14.91648 
1 1 1 -19 6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 6  3  o 190.2086 5.664493 1782.000       105.3449 1755.000       147.6443 1810.000       150.3529 188.1563 8.035126 191.0804 8.056846 -2.924133      11.37875 
1 1 1 -19 6  4  o 132.3321 4.499267 861.0436       58.19439 807.1000       79.53429 923.2000       85.37429 127.8120 6.377503 136.7130 6.397604 -8.900963      9.033376 
1 1 1 -19 6  5  o 91.02306 3.950071 407.3597       35.10972 384.6000       48.10656 433.3000       51.35808 88.23016 5.599216 93.66630 5.627646 -5.436134      7.938616 
1 1 1 -19 6  6  o 50.52874 4.122867 126.1599       20.21416 109.8402       25.80084 152.1000       32.52842 46.89320 5.740633 55.23238 6.119301 -8.339176      8.390513 
1 1 1 -19 6  7  o 136.8824 3.877288 920.2475       51.89721 871.3161       63.15458 1022.000       91.07174 133.0556 4.857302 143.8133 6.486311 -10.75771      8.103432 
1 1 1 -19 6  8  o 170.7578 4.363253 1433.034       72.86875 1406.845       89.36308 1485.000       125.8821 168.9995 5.409113 173.1433 7.445058 -4.143799      9.202576 
1 1 1 -19 6  9  o 110.6612 3.573904 601.4278       38.66114 586.5488       48.25442 628.1000       64.60697 109.1669 4.525669 112.7620 5.873678 -3.595131      7.414969 
1 1 1 -19 6  10 o 74.64449 3.541710 273.9757       25.80337 259.6716       32.51694 298.3000       42.40327 72.54537 4.602981 77.63052 5.618356 -5.085144      7.263151 
1 1 1 -19 6  11 o 68.18544 3.643748 228.7936       24.23071 206.2032       30.21522 269.5000       40.55973 64.58278 4.814359 73.75650 5.661369 -9.173721      7.431632 
1 1 1 -19 6  12 o 113.2348 4.192225 630.6745       46.38528 574.5000       62.01730 702.0000       69.88206 107.7977 5.900054 119.1709 6.010263 -11.37319      8.422227 
1 1 1 -19 6  13 o 163.2161 5.093466 1312.452       81.27383 1280.000       112.4086 1348.000       117.6474 160.6636 7.165888 164.8409 7.309579 -4.177277      10.23621 
1 1 1 -19 6  14 o 84.89929 3.561595 354.4198       29.53174 325.7760       36.22268 411.2000       50.99924 81.26336 4.572302 91.13618 5.746232 -9.872818      7.343373 
1 1 1 -19 6  15 o 157.0085 4.137320 1212.354       63.52867 1165.142       76.52899 1317.000       113.9372 153.7265 5.092969 162.8737 7.164270 -9.147278      8.790057 
1 1 1 -19 6  16 o 106.1142 3.547551 553.4996       36.79572 545.5852       45.12683 569.2000       63.55927 105.2300 4.390809 107.1630 6.084374 -1.933037      7.503253 
1 1 1 -19 6  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 6  18 o 182.4118 3.976247 1636.221       70.99579 1584.554       98.76440 1691.465       102.1264 178.9933 5.644176 184.9374 5.648283 -5.944077      7.984975 
1 1 1 -19 6  19 o 54.44068 3.492786 146.2283       18.51418 146.7824       24.76466 145.5263       27.87677 54.36798 4.699633 54.01948 5.341994 0.3484993      7.115016 
1 1 1 -19 6  20 o 93.50673 3.050661 429.8113       27.88441 444.7207       39.34413 414.7641       39.52550 94.92287 4.245249 91.63083 4.419899 3.292038       6.128429 
1 1 1 -19 6  21 o 11.36620 5.204419 -8.996797      13.03821 1.610673       16.62189 -25.96144      21.02069 15.39304 6.480548 12.88839 6.125488 2.504649       8.917349 
1 1 1 -19 6  22 o 52.23776 3.526758 134.8847       17.92724 123.6598       23.92181 149.2649       27.07605 49.75447 4.978777 54.67959 5.118361 -4.925117      7.140437 
1 1 1 -19 6  23 o 135.5678 3.364364 904.4774       44.64429 851.2282       61.15614 965.2295       65.32275 131.0658 4.774971 139.5724 4.788533 -8.506531      6.762425 
1 1 1 -19 6  24 o 120.1012 3.213720 710.3909       37.74602 692.1446       52.39030 730.0855       54.42996 118.1805 4.537392 121.3634 4.590157 -3.182877      6.454259 
1 1 1 -19 6  25 o 66.22278 3.251073 216.4978       21.00927 212.3969       28.40794 221.4485       31.21293 65.34074 4.468601 66.63832 4.817775 -1.297577      6.571100 
1 1 1 -19 6  26 o 106.8071 3.777227 564.1850       39.42713 565.6000       71.54949 563.5679       47.24788 105.6410 6.958134 106.5020 4.542733 -0.8609695     8.309756 
1 1 1 -19 6  27 o 31.64139 5.455422 51.38196       16.28619 36.67522       20.80452 74.65821       26.17315 26.48697 7.617774 37.74271 7.349035 -11.25575      10.58484 
1 1 1 -19 6  28 o 42.66088 4.292681 91.26053       17.68180 63.67134       22.47623 136.0609       28.64145 34.87292 6.829061 51.74906 5.751438 -16.87613      8.928332 
1 1 1 -19 6  29 o 134.2748 3.961097 895.0476       52.00452 972.2000       87.95361 853.5765       64.48396 138.3032 6.515352 130.5450 5.056001 7.758179       8.246997 
1 1 1 -19 6  30 o 35.15997 6.312166 64.41682       20.92538 61.60107       23.74653 74.20000       44.26321 34.05059 7.341097 36.50858 11.26448 -2.457989      13.44545 
1 1 1 -19 6  31 o 22.52035 7.663358 24.87547       20.20301 48.62224       22.88674 -58.94000      42.99755 30.07660 7.731817 17.41484 8.403304 12.66176       11.41913 
1 1 1 -19 6  32 o 52.44743 4.911162 139.1784       24.91919 156.4945       28.83324 88.07000       49.53530 55.46518 5.378310 39.04053 11.89240 16.42465       13.05202 
1 1 1 -19 6  33 o 44.73250 5.388433 102.3880       23.11884 140.0000       33.39806 67.78443       32.03453 51.82378 6.743735 34.95818 9.228107 16.86560       11.42961 
1 1 1 -19 6  34 o 16.67675 7.157892 0.9942033      20.96477 6.076000       30.71879 -3.436385      28.68311 20.64094 8.755687 18.52709 8.155183 2.113852       11.96533 
1 1 1 -19 6  35 o 44.91661 5.032006 103.0786       21.74367 101.0356       29.69851 105.4390       31.92214 43.53739 7.221868 44.29084 7.639169 -0.7534447     10.51248 
1 1 1 -19 6  36 o 29.42293 7.255926 47.23377       20.76393 23.47099       28.66534 73.46552       30.11772 23.29398 8.947532 36.21551 8.620954 -12.92153      12.42494 
1 1 1 -19 6  37 o 20.12037 7.643529 17.27538       20.76909 7.743640       29.46354 26.68949       29.28117 20.28478 8.588461 23.95601 9.081472 -3.671225      12.49939 
1 1 1 -19 6  38 o 54.47609 4.676691 151.8401       24.69629 185.2601       36.25364 122.9042       33.73399 59.17313 6.358891 47.38020 7.525165 11.79293       9.852086 
1 1 1 -19 6  39 o 14.52298 6.689975 -12.68964      21.99304 -24.43434      31.18114 -1.062175      31.02514 16.27558 7.651906 19.07853 8.436139 -2.802958      11.38947 
1 1 1 -19 6  40 o 32.53363 7.577918 59.71922       23.68100 57.84060       32.86058 61.74899       34.15702 31.05245 9.725840 31.94646 9.901882 -0.8940067     13.87945 
1 1 1 -19 6  41 o 46.48987 5.975652 115.2125       26.56443 115.9459       38.52662 114.5478       36.67712 44.33182 9.180862 44.40451 8.749750 -0.7269669E-01 12.68252 
1 1 1 -19 6  42 o 26.65828 9.121254 41.01365       28.62820 -6.881000      57.85126 56.54597       32.94485 23.64209 10.87597 30.46621 9.762756 -6.824121      14.61500 
1 1 1 -19 6  43 o 76.72444 4.215062 300.8742       31.53350 320.6406       46.16673 283.5876       43.17377 77.41070 6.143213 72.80856 6.114464 4.602135       8.667511 
1 1 1 -19 6  44 o 32.67071 7.931262 62.27825       25.10513 69.12239       36.56132 56.17228       34.53342 32.85196 10.25434 29.95237 10.01913 2.899593       14.33647 
1 1 1 -19 6  45 o 18.24526 8.020172 2.145382       27.65405 0.5639143      36.02902 4.413000       43.14270 20.01534 8.955478 21.87038 9.791574 -1.855034      13.26934 
1 1 1 -19 6  46 o 29.96450 10.35945 58.79593       36.95818 58.79593       36.95818 0.000000       0.000000 29.96450 10.35945 ?        ?        ?              ?        
1 1 1 -19 6  47 o 25.67757 8.481433 39.69254       24.76459 32.39858       36.82079 45.71727       33.46419 24.56859 9.919039 27.03285 9.807234 -2.464258      13.94880 
1 1 1 -19 6  48 o 22.13377 8.608031 25.28884       26.77434 -0.3818000     47.74622 37.06384       32.33710 21.72592 9.952257 25.10996 9.537877 -3.384041      13.78472 
1 1 1 -19 6  49 o 19.83420 8.112399 16.08864       25.00795 67.47034       38.68467 -20.80007      32.77792 31.31269 10.60487 16.52022 7.791104 14.79247       13.15920 
1 1 1 -19 6  50 o 26.14699 8.480063 41.95739       24.80757 18.08538       36.66022 62.12221       33.69362 22.04618 9.463996 30.57613 9.880086 -8.529949      13.68150 
1 1 1 -19 6  51 o 38.15341 7.167796 84.12659       25.78596 100.2868       38.02990 70.37464       35.08194 39.01027 9.934292 32.34713 10.03653 6.663136       14.12169 
1 1 1 -19 6  52 f 25.25589 8.499069 39.21693       24.84649 51.42844       36.34488 28.50243       34.04431 27.75623 10.19704 23.26504 9.484356 4.491194       13.92597 
1 1 1 -19 6  53 o 20.83964 8.244936 21.59009       24.92428 4.350522       36.94674 35.98771       33.76434 20.08506 9.021320 24.59737 9.637506 -4.512310      13.20098 
1 1 1 -19 6  54 o 28.83316 8.550994 53.03227       25.86363 122.5863       38.85583 -2.300632      34.65667 43.42035 9.414186 18.67799 8.526845 24.74236       12.70173 
1 1 1 -19 6  55 o 24.33982 8.663209 37.54857       25.97138 40.12761       38.43620 35.38174       35.23092 24.95384 10.11273 24.02300 9.701187 0.9308414      14.01358 
1 1 1 -19 6  56 o 14.68028 6.913072 -15.34315      25.63366 -40.28062      37.11839 7.393396       35.44257 15.51750 7.561761 19.62041 8.822274 -4.102908      11.61950 
1 1 1 -19 7  1  o 156.2928 4.973230 1201.967       75.98545 1059.000       101.0493 1388.000       115.2685 146.2823 7.078256 167.5238 7.045282 -21.24149      9.986877 
1 1 1 -19 7  2  o 135.7371 4.580111 906.1121       60.76566 889.1000       85.34922 923.6000       86.53427 134.1215 6.520761 136.7120 6.485075 -2.590515      9.196549 
1 1 1 -19 7  3  o 268.2260 7.518703 3559.496       197.2065 3551.000       278.8182 3568.000       278.9661 266.4320 10.71310 267.0811 10.69254 -0.6490173     15.13608 
1 1 1 -19 7  4  o 99.22399 4.058947 484.0852       39.33856 478.5000       55.08142 489.9000       56.20174 98.42096 5.742513 99.58264 5.790786 -1.161682      8.155346 
1 1 1 -19 7  5  o 98.92284 4.511320 481.7002       43.56741 497.6000       71.96151 472.5000       54.73973 100.0672 7.399208 97.79619 5.743686 2.271057       9.366868 
1 1 1 -19 7  6  o 165.4502 4.292836 1345.197       69.46256 1308.882       85.04041 1418.000       120.4077 163.0183 5.336647 169.2301 7.285995 -6.211853      9.031363 
1 1 1 -19 7  7  o 74.36383 3.521076 271.8872       25.55690 259.0524       32.74212 291.9000       40.88502 72.45868 4.640870 76.81850 5.473265 -4.359825      7.175953 
1 1 1 -19 7  8  o 114.7036 3.662890 646.2567       41.07240 608.7427       50.72214 717.7000       69.99734 111.1934 4.670686 120.5373 5.951119 -9.343925      7.565125 
1 1 1 -19 7  9  o 168.1909 5.184657 1393.153       85.25304 1328.000       116.9637 1467.000       124.5230 163.6989 7.318105 172.0414 7.411918 -8.342499      10.41591 
1 1 1 -19 7  10 o 40.30573 4.633229 80.89079       17.94711 57.43738       22.13455 125.9000       30.66326 33.48390 6.980037 50.11759 6.396163 -16.63369      9.467408 
1 1 1 -19 7  11 o 26.43079 6.407349 35.85264       16.40236 26.34508       20.05690 55.05000       28.50034 23.45311 7.626382 32.71174 8.736210 -9.258627      11.59668 
1 1 1 -19 7  12 o 73.16912 3.658289 263.4384       26.11755 236.3098       32.39710 313.8000       44.14097 69.14604 4.816778 79.59003 5.703822 -10.44398      7.465583 
1 1 1 -19 7  13 o 114.3051 3.611105 642.0155       40.35215 610.5109       48.87182 709.5000       71.52749 111.3391 4.493634 119.7320 6.123522 -8.392921      7.595411 
1 1 1 -19 7  14 o 186.3862 5.596479 1714.608       101.9865 1700.000       142.3820 1730.000       146.1532 184.8270 7.888299 186.3982 8.029349 -1.571136      11.25592 
1 1 1 -19 7  15 o 68.44888 3.572371 230.6716       23.85193 207.1865       28.52182 285.3000       43.50010 64.73866 4.529562 75.78852 5.910526 -11.04987      7.446559 
1 1 1 -19 7  16 o 46.04173 6.252612 106.7052       27.45108 95.70000       43.66024 113.9000       35.30172 42.75553 10.50833 47.23316 7.915382 -4.477634      13.15592 
1 1 1 -19 7  17 o 122.2038 4.348245 735.8492       51.92927 747.8000       72.00974 722.9000       74.95706 122.8190 6.008132 120.6565 6.369375 2.162514       8.755945 
1 1 1 -19 7  18 f 73.34590 3.501641 264.9135       25.06672 270.6530       30.82131 253.7000       43.08062 74.02814 4.271656 71.29420 6.236074 2.733940       7.558814 
1 1 1 -19 7  19 o 78.46665 3.103586 302.8175       23.79018 285.4832       32.79142 322.0805       34.56759 75.98833 4.427846 80.73386 4.390812 -4.745529      6.235788 
1 1 1 -19 7  20 o 23.59971 5.948735 28.68890       13.73522 40.96664       17.25493 7.453549       22.69256 28.16765 6.403791 19.02955 7.748709 9.138102       10.05241 
1 1 1 -19 7  21 o 15.19238 5.994220 6.512931       13.14104 13.28346       16.30662 -6.029382      22.19430 18.40255 6.817926 16.21069 7.153076 2.191860       9.881833 
1 1 1 -19 7  22 o 59.93085 3.317030 177.2143       19.38246 173.3964       26.20556 181.8254       28.79956 59.06547 4.568142 60.42162 4.911863 -1.356144      6.707780 
1 1 1 -19 7  23 o 101.6742 3.135006 508.9886       31.16279 516.9962       43.85971 500.8250       44.28504 102.1777 4.395623 100.5326 4.511822 1.645111       6.299050 
1 1 1 -19 7  24 o 65.35120 3.501287 211.0644       22.31511 168.5000       32.43835 249.3041       30.74626 57.85079 5.806977 70.83752 4.456866 -12.98673      7.320152 
1 1 1 -19 7  25 o 99.87825 3.738175 493.1681       36.48125 497.8000       67.73071 491.2752       43.29874 99.10515 7.027639 99.47613 4.458155 -0.3709793     8.322431 
1 1 1 -19 7  26 o 107.7629 3.197560 572.8057       33.69097 544.3336       46.22940 605.0569       49.20186 104.6397 4.524213 110.3159 4.566432 -5.676277      6.428127 
1 1 1 -19 7  27 o 113.7591 3.263210 638.9832       36.29847 663.3463       51.23272 614.4270       51.43544 115.4358 4.543069 111.0062 4.744737 4.429688       6.569018 
1 1 1 -19 7  28 o 40.51272 4.570242 82.69794       17.80733 65.10241       22.45215 112.5355       29.23738 35.27668 6.748055 46.71245 6.576189 -11.43578      9.422446 
1 1 1 -19 7  29 o 77.02043 3.899801 294.9748       29.30481 296.4268       34.48373 291.2000       55.59840 76.97536 4.597691 74.85764 7.697443 2.117722       8.966013 
1 1 1 -19 7  30 o 17.06499 6.727203 9.146564       16.53846 7.565315       20.92254 11.78006       27.00104 18.15330 7.422014 20.86389 8.468373 -2.710592      11.26054 
1 1 1 -19 7  31 o 24.35427 7.011954 31.26169       17.61807 11.06239       22.39961 64.02848       28.52918 19.36970 7.765593 34.28122 8.535226 -14.91153      11.53926 
1 1 1 -19 7  32 o 40.84548 5.519298 85.68836       21.50237 103.4000       30.09158 67.20932       30.73657 44.27329 7.190262 34.93076 8.950022 9.342533       11.48054 
1 1 1 -19 7  33 o 53.72250 4.646765 145.7443       24.19504 162.3000       35.28456 131.0511       33.24074 55.88932 6.575524 49.96558 6.987420 5.923737       9.594871 
1 1 1 -19 7  34 o 47.72224 4.712772 115.5221       21.72715 147.2631       29.19481 76.11848       32.52847 53.54639 5.655528 36.93840 9.065338 16.60799       10.68482 
1 1 1 -19 7  35 o 57.74618 4.164170 167.7720       23.37930 173.1104       32.21422 161.8312       33.98330 57.96193 5.753925 55.72895 6.342595 2.232983       8.563654 
1 1 1 -19 7  36 o 29.21436 7.165574 46.57891       20.33230 42.22335       27.37452 51.93845       30.36603 27.71380 8.901047 30.33636 9.324687 -2.622561      12.89102 
1 1 1 -19 7  37 o 29.08636 7.256036 46.62102       20.58906 35.23225       28.65982 58.76717       29.59746 25.81400 9.108963 31.99265 9.048805 -6.178644      12.83955 
1 1 1 -19 7  38 o 50.14021 4.878356 129.4634       23.63996 146.8837       33.60401 112.3954       33.26251 52.33662 6.714090 44.99878 7.836339 7.337837       10.31926 
1 1 1 -19 7  39 o 17.88060 7.469679 7.296203       21.82152 -4.903863      30.61771 19.89071       31.10872 18.41579 8.246528 22.54941 9.112456 -4.133615      12.28992 
1 1 1 -19 7  40 o 38.65170 6.568114 81.23109       23.96108 117.2257       33.70169 44.43781       34.07355 45.72562 7.810071 27.81513 9.920490 17.91049       12.62590 
1 1 1 -19 7  41 o 54.54495 4.974840 154.4623       26.26869 174.1947       37.96346 136.3358       36.38582 56.42499 7.025403 49.25682 7.806774 7.168171       10.50248 
1 1 1 -19 7  42 o 17.75970 7.638309 4.241187       23.96560 -37.60057      36.45169 36.09774       31.80622 16.43938 7.882089 25.63375 9.517300 -9.194365      12.35744 
1 1 1 -19 7  43 o 38.68998 8.360236 87.68157       30.73524 37.72000       62.56958 103.5711       35.28580 28.24261 12.24485 41.68447 8.917738 -13.44186      15.14802 
1 1 1 -19 7  44 o 26.49356 9.222261 41.56872       29.31262 84.40000       58.44648 27.17476       33.88192 34.03370 12.84651 23.75601 9.541594 10.27769       16.00234 
1 1 1 -19 7  45 o 26.92070 9.405440 43.84393       30.50420 46.76054       37.11230 37.77000       53.55657 27.62151 10.27574 27.09555 11.52986 0.5259590      15.44437 
1 1 1 -19 7  46 o 21.85365 8.630177 23.35284       27.26183 20.77750       35.33557 27.14000       42.85007 22.52136 9.463250 24.41131 10.34744 -1.889942      14.02222 
1 1 1 -19 7  47 o 15.00192 7.165602 -27.47683      29.51100 -52.80000      43.82858 -6.474000      39.91511 16.79091 8.189935 19.70422 9.053300 -2.913311      12.20808 
1 1 1 -19 7  48 o 24.95811 8.519622 37.20974       24.97316 31.99116       37.86166 41.22854       33.22552 24.54434 10.00344 26.01712 9.714144 -1.472778      13.94394 
1 1 1 -19 7  49 o 21.97450 8.319684 26.02779       24.55619 1.827719       36.96631 45.14077       32.85202 19.96066 8.989613 26.72476 9.713980 -6.764105      13.23535 
1 1 1 -19 7  50 o 31.91930 8.095898 61.91842       25.32832 67.35759       37.96901 57.55738       33.99833 31.26532 10.50629 29.43821 9.941923 1.827103       14.46458 
1 1 1 -19 7  51 o 30.59889 8.177920 57.32868       24.96276 29.76061       36.13372 82.49877       34.52645 23.78968 9.743254 35.46501 9.678135 -11.67533      13.73307 
1 1 1 -19 7  52 o 57.51652 4.991021 175.9409       27.82096 216.5387       41.12857 141.6944       37.77460 61.67733 6.932474 48.44035 8.263057 13.23699       10.78598 
1 1 1 -19 7  53 o 18.59237 7.870910 10.91141       24.74075 -14.46123      36.48478 32.51080       33.66275 17.87876 8.364438 23.86983 9.536718 -5.991070      12.68514 
1 1 1 -19 7  54 o 17.32823 7.644754 3.518477       25.33894 7.514343       37.87539 0.2810697      34.09184 20.39057 9.148224 18.82608 8.540737 1.564486       12.51536 
1 1 1 -19 7  55 o 30.48989 8.635794 60.69838       26.93820 99.62891       40.18277 28.92000       36.30450 36.95274 10.57405 22.92208 9.609329 14.03066       14.28810 
1 1 1 -19 8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 8  2  o 127.9986 4.461740 805.7844       55.81502 746.3000       76.84734 872.2000       81.20122 122.8520 6.412784 132.8668 6.261282 -10.01479      8.962559 
1 1 1 -19 8  3  o 158.2900 4.253208 1231.314       65.83892 1162.915       79.98903 1375.000       115.9346 153.6469 5.326696 166.6737 7.122658 -13.02684      8.894153 
1 1 1 -19 8  4  o 114.2423 4.546854 642.2628       50.74297 789.9000       86.28188 564.2000       62.73990 126.2648 7.008718 106.8346 6.024050 19.43013       9.241824 
1 1 1 -19 8  5  o 31.09911 5.835943 49.17421       17.11267 21.04176       22.53071 87.53000       26.30792 22.42192 8.058786 41.60181 6.687094 -19.17988      10.47193 
1 1 1 -19 8  6  o 30.18282 5.990303 46.45714       17.07294 26.21595       22.54362 73.68000       26.14403 23.86643 8.095467 37.98125 7.297415 -14.11483      10.89903 
1 1 1 -19 8  7  o 48.77294 4.162282 117.6625       19.68115 87.08312       25.27113 164.8000       31.37574 41.53851 6.422356 57.57681 5.639491 -16.03830      8.546960 
1 1 1 -19 8  8  o 20.09823 6.880370 18.28488       16.29003 22.27117       20.69991 11.80000       26.40190 22.34370 7.751479 21.26534 8.462459 1.078358       11.47600 
1 1 1 -19 8  9  o 20.92807 6.917460 20.62206       16.47260 15.73742       20.55097 29.40000       27.54940 20.46272 7.639935 25.66255 8.940118 -5.199825      11.75986 
1 1 1 -19 8  10 o 110.3302 3.642521 598.0715       39.28322 552.8798       47.84986 691.5000       68.80037 105.9469 4.625237 118.2747 5.962048 -12.32785      7.545783 
1 1 1 -19 8  11 o 81.87431 3.933107 329.9547       31.42807 340.1000       42.73118 318.0000       46.38535 82.93784 5.291231 80.07510 5.960786 2.862747       7.970452 
1 1 1 -19 8  12 o 194.5617 5.780080 1868.685       109.9552 1965.000       159.2802 1781.000       151.9770 198.6576 8.208940 189.1038 8.230242 9.553787       11.62427 
1 1 1 -19 8  13 o 114.7767 4.232346 648.4120       47.46755 635.2000       64.90921 663.6000       69.59386 113.3025 5.872801 115.7508 6.164669 -2.448318      8.514278 
1 1 1 -19 8  14 o 25.95308 8.448803 32.49876       24.61229 14.27000       41.48510 42.40000       30.57443 25.76497 10.48229 29.38351 9.403872 -3.618544      14.08230 
1 1 1 -19 8  15 o 18.27135 7.694517 2.197722       23.44316 2.029000       40.61797 2.282000       28.70721 23.64837 10.05119 20.11015 8.494215 3.538219       13.15971 
1 1 1 -19 8  16 o 120.1683 3.683494 710.1799       43.27561 689.2020       52.60504 754.1000       76.11626 118.2264 4.554280 123.2572 6.330179 -5.030830      7.798246 
1 1 1 -19 8  17 o 41.81871 4.452976 87.07650       17.94749 81.78829       21.25818 100.2000       33.48857 40.32172 5.531848 44.15291 8.045053 -3.831192      9.763412 
1 1 1 -19 8  18 o 83.23485 3.512242 341.1006       28.55083 327.1858       34.69300 370.3000       50.25629 81.38205 4.371228 86.25456 5.989747 -4.872513      7.415167 
1 1 1 -19 8  19 o 29.96753 5.586880 45.85196       15.78528 51.27954       18.49801 31.31000       30.27841 31.61693 6.198876 26.45529 9.360160 5.161646       11.22669 
1 1 1 -19 8  20 o 154.3835 4.086548 1175.226       61.69952 1256.000       107.2431 1135.262       75.43415 158.5120 6.928691 151.4209 5.096773 7.091080       8.601387 
1 1 1 -19 8  21 o 123.8182 3.254267 754.4172       39.40646 738.4904       54.95736 771.2713       56.53438 122.1711 4.603931 124.8480 4.634249 -2.676865      6.532415 
1 1 1 -19 8  22 o 14.40578 5.856424 4.235517       12.93759 22.06361       15.90957 -30.57126      22.22991 21.19292 6.783646 12.88009 6.170166 8.312824       9.169994 
1 1 1 -19 8  23 o 69.23004 3.191330 236.3652       21.56764 242.8251       29.63604 229.0918       31.44695 69.94604 4.350165 67.83604 4.766336 2.110001       6.453053 
1 1 1 -19 8  24 o 100.0441 3.103684 493.1550       30.35634 471.3985       41.86452 517.2773       44.08195 97.47948 4.398932 102.1151 4.420738 -4.635590      6.236467 
1 1 1 -19 8  25 o 43.68393 4.001559 95.13393       16.92041 93.44737       22.22156 97.46102       26.10232 42.97128 5.402217 43.65321 6.290104 -0.6819267     8.291523 
1 1 1 -19 8  26 o 84.30354 3.161746 350.8261       26.04406 344.5573       35.70775 357.9515       38.06931 83.21410 4.399520 84.75405 4.606208 -1.539955      6.369689 
1 1 1 -19 8  27 o 75.01749 3.339785 278.4284       24.46229 297.9454       33.02837 254.7131       36.40781 77.31111 4.382493 71.17206 5.263358 6.139053       6.849028 
1 1 1 -19 8  28 o 59.35365 4.208128 175.8668       24.28943 182.5296       28.19688 156.7000       47.82431 60.29193 4.817943 53.96448 9.395010 6.327450       10.55835 
1 1 1 -19 8  29 o 56.69867 3.727258 160.0022       20.57090 129.4281       26.46819 206.6413       32.69052 50.47435 5.443292 63.96766 5.267657 -13.49331      7.574803 
1 1 1 -19 8  30 o 57.12031 3.784200 162.6220       21.03854 165.6816       28.25535 158.8152       31.51715 57.24364 5.095963 55.74926 5.863330 1.494385       7.768364 
1 1 1 -19 8  31 o 36.57216 5.595072 68.99963       19.39336 64.87000       26.96482 73.42461       27.91241 34.59737 8.105281 36.90033 7.961878 -2.302959      11.36165 
1 1 1 -19 8  32 o 30.30656 6.815121 48.94082       19.72500 53.48000       27.49615 44.12812       28.31247 31.25971 8.678956 28.67118 9.034420 2.588531       12.52777 
1 1 1 -19 8  33 o 22.46210 7.276483 25.87827       18.26850 11.90846       24.00339 45.11007       28.16354 19.90796 8.018823 28.83375 8.999936 -8.925787      12.05406 
1 1 1 -19 8  34 o 18.61902 7.416172 11.07574       20.29510 12.61000       27.98691 9.374110       29.47402 21.05286 8.592963 20.83271 8.690421 0.2201500      12.22139 
1 1 1 -19 8  35 o 39.30038 6.397301 81.58683       23.76367 72.54171       27.54689 107.9000       46.98421 36.32450 7.967282 42.60766 11.14163 -6.283161      13.69721 
1 1 1 -19 8  36 o 32.14825 6.647359 55.70176       20.22645 58.46119       27.51749 52.45872       29.83146 32.18592 8.579046 30.40438 9.222211 1.781546       12.59560 
1 1 1 -19 8  37 o 17.15488 7.068399 7.234828       19.16555 11.81438       25.85761 1.651812       28.55035 20.03308 8.227596 18.94925 8.243006 1.083828       11.64648 
1 1 1 -19 8  38 o 28.90849 7.203697 46.51640       20.30947 67.21282       27.85259 23.01808       29.67812 34.24435 8.379066 22.95601 9.023205 11.28835       12.31369 
1 1 1 -19 8  39 o 53.55413 4.603647 147.2229       23.89848 145.3987       33.14993 149.1969       34.48468 51.93848 6.674714 52.47548 6.879221 -0.5370064     9.585170 
1 1 1 -19 8  40 o 22.70475 7.944079 27.35742       21.76625 23.85118       29.57272 31.50226       32.15319 22.90571 9.006038 24.82946 9.491577 -1.923746      13.08429 
1 1 1 -19 8  41 o 23.08746 8.077961 28.70702       22.50608 1.449900       31.03701 58.93299       32.68361 19.23937 8.475412 31.09144 9.693856 -11.85207      12.87647 
1 1 1 -19 8  42 o 16.79868 7.318708 1.341415       22.57941 -4.717160      31.95650 7.381522       31.90776 18.57014 8.361273 20.27262 8.766844 -1.702484      12.11480 
1 1 1 -19 8  43 o 44.22610 6.066637 105.6133       25.57094 103.6932       36.80517 107.4050       35.55286 41.32672 9.321338 42.51272 8.832627 -1.185997      12.84144 
1 1 1 -19 8  44 o 17.73182 8.341814 -22.94056      37.16045 -4.413000      55.78530 -37.72000      49.82412 23.07623 10.63890 19.37922 9.271132 3.697001       14.11170 
1 1 1 -19 8  45 o 29.52538 9.185142 54.16111       29.36095 -9.671000      57.18143 77.01636       34.21594 22.64407 10.55339 34.78955 9.690041 -12.14548      14.32728 
1 1 1 -19 8  46 o 70.46524 4.829297 260.1516       33.10789 348.4000       59.69961 220.9557       39.78673 77.40736 7.994087 63.24628 6.520168 14.16109       10.31591 
1 1 1 -19 8  47 o 19.23962 8.516520 4.149162       31.70176 9.496000       48.02608 0.2041000E-01  42.20248 22.72584 10.23972 20.79595 9.461115 1.929890       13.94147 
1 1 1 -19 8  48 o 20.19312 8.460156 14.64900       28.11432 28.26293       37.43851 -2.956000      42.57403 23.86208 9.860215 20.56470 9.411852 3.297379       13.63110 
1 1 1 -19 8  49 o 35.14509 7.663190 73.01479       25.61727 52.85550       38.59582 88.88896       34.24902 28.23621 10.48393 37.27523 9.392282 -9.039022      14.07578 
1 1 1 -19 8  50 o 31.39525 8.110706 60.02805       25.10046 42.18242       36.97476 75.28152       34.18407 26.08934 10.12427 33.73789 9.783461 -7.648550      14.07895 
1 1 1 -19 8  51 o 21.76420 8.255253 25.61799       24.20382 29.87778       35.56083 21.94139       33.03707 23.72668 9.685459 22.08897 9.206532 1.637718       13.36295 
1 1 1 -19 8  52 o 21.42546 8.288096 24.32680       24.72016 9.439950       36.26907 37.24229       33.78241 20.60234 9.115061 24.82840 9.665461 -4.226055      13.28554 
1 1 1 -19 8  53 o 22.63515 8.445463 29.68379       25.10487 21.24120       37.46204 36.56599       33.82341 22.29039 9.567851 24.55219 9.638139 -2.261793      13.58078 
1 1 1 -19 8  54 o 23.17845 8.579325 32.44127       25.80972 102.6731       38.68473 -23.90051      34.64879 38.51636 10.12824 16.40011 7.814228 22.11625       12.79232 
1 1 1 -19 8  55 o 20.43864 8.718270 17.57595       30.75197 27.81748       37.59629 -3.128000      53.45509 22.78803 9.677213 21.22467 9.991194 1.563362       13.90944 
1 1 1 -19 9  1  o 164.6156 5.179627 1334.537       83.35561 1241.000       114.7588 1439.000       121.2763 158.2109 7.431193 170.4313 7.286585 -12.22038      10.40754 
1 1 1 -19 9  2  o 88.91796 4.688495 389.6939       40.66228 389.6939       40.66228 0.000000       0.000000 88.91796 4.688495 ?        ?        ?              ?        
1 1 1 -19 9  3  o 118.3750 3.720622 688.3527       43.05682 629.5654       52.81103 804.9000       74.35905 113.0622 4.782809 127.6564 5.967447 -14.59421      7.647593 
1 1 1 -19 9  4  o 83.68471 3.578538 344.2409       29.24517 315.7598       37.45909 388.7000       46.80146 79.99681 4.806020 88.69736 5.416492 -8.700554      7.241285 
1 1 1 -19 9  5  o 54.78207 3.984385 148.1162       21.21910 129.0275       28.13412 173.3000       32.31514 50.85937 5.752247 59.05100 5.659989 -8.191631      8.069933 
1 1 1 -19 9  6  o 172.1894 4.411547 1457.744       74.29261 1467.034       92.63651 1441.000       124.3701 172.5209 5.492728 170.4700 7.471675 2.050858       9.273402 
1 1 1 -19 9  7  o 152.7897 4.901190 1149.340       73.20483 1121.000       102.3694 1179.000       104.7254 150.4357 6.971001 154.2912 6.952191 -3.855453      9.845192 
1 1 1 -19 9  8  o 73.39383 3.710803 265.0654       26.57187 228.9931       33.28016 328.5000       44.13287 68.03823 5.032824 81.47524 5.567340 -13.43701      7.504971 
1 1 1 -19 9  9  o 111.9890 3.683490 616.2841       40.32271 615.9803       50.82639 616.8000       66.23566 111.8273 4.653561 111.6489 6.083807 0.1784210      7.659526 
1 1 1 -19 9  10 o 105.6215 3.628005 548.2664       37.45253 523.2032       46.35270 595.4000       63.56553 103.0434 4.607319 109.6992 5.942048 -6.655800      7.518997 
1 1 1 -19 9  11 o 175.5410 5.369921 1519.814       92.15985 1560.000       131.4797 1481.000       129.2171 177.1698 7.599306 172.5935 7.667876 4.576309       10.79564 
1 1 1 -19 9  12 o 80.62041 3.488091 319.6477       27.46061 314.0093       33.59497 331.0000       47.66912 79.80180 4.316932 81.66154 6.005677 -1.859734      7.396219 
1 1 1 -19 9  13 o 29.01446 8.261869 42.98817       24.59001 17.20000       41.57844 56.86000       30.49472 26.26156 10.56227 33.20268 9.109644 -6.941122      13.94802 
1 1 1 -19 9  14 o 129.2846 4.489033 823.5122       56.72134 867.7000       80.48033 779.9000       79.95442 132.3089 6.231844 125.3401 6.539597 6.968803       9.033395 
1 1 1 -19 9  15 o 33.10337 5.532799 55.53204       17.29541 62.47018       20.51791 38.50000       32.14733 35.02584 6.212098 28.57288 9.667432 6.452961       11.49127 
1 1 1 -19 9  16 o 93.94739 4.042861 434.9644       37.09044 471.6000       51.38072 395.1000       53.59706 97.57302 5.400846 89.11075 6.183103 8.462273       8.209744 
1 1 1 -19 9  17 o 72.09052 3.568590 256.0708       25.10319 245.9424       30.28692 278.3000       44.86904 70.52071 4.409724 74.67538 6.194195 -4.154671      7.603533 
1 1 1 -19 9  18 o 107.3904 4.184430 568.9140       43.90115 565.3000       59.29099 573.3000       65.31670 106.6900 5.698192 107.2882 6.246670 -0.5982056     8.455193 
1 1 1 -19 9  19 o 136.5260 4.614595 921.0242       61.57869 906.7000       84.31363 937.4000       90.14986 134.8646 6.405256 136.9993 6.743373 -2.134644      9.300559 
1 1 1 -19 9  20 o 60.49509 3.735260 180.8838       22.01020 179.2525       26.51409 184.5000       39.47547 60.07974 4.542256 60.43106 6.791002 -0.3513222     8.170055 
1 1 1 -19 9  21 o 36.05066 4.492136 65.18910       15.50862 68.18009       20.01654 60.69700       24.53048 36.60623 5.777786 34.11358 7.546583 2.492649       9.504405 
1 1 1 -19 9  22 o 26.18332 5.722132 35.42136       14.25465 37.23840       18.06857 32.42638       23.19731 26.74795 6.866687 25.51112 8.193847 1.236828       10.69067 
1 1 1 -19 9  23 o 99.76470 3.144207 490.4036       30.66562 457.7450       41.98787 527.7382       44.89323 96.04876 4.478403 103.1519 4.456803 -7.103104      6.318163 
1 1 1 -19 9  24 o 82.56940 3.080994 336.1479       24.85729 310.4000       33.30522 368.5266       37.34819 79.05495 4.320469 86.12335 4.445439 -7.068398      6.199063 
1 1 1 -19 9  25 o 104.7011 3.822415 542.6582       39.10801 608.1000       75.31007 518.4948       45.76198 109.3776 7.072168 102.0840 4.591492 7.293617       8.431925 
1 1 1 -19 9  26 o 71.98402 3.714626 256.9475       26.08471 243.3548       30.34687 295.4000       51.04155 69.84663 4.462101 76.01705 6.936051 -6.170425      8.247372 
1 1 1 -19 9  27 o 66.35542 5.702106 222.8541       36.67669 201.7000       55.17672 239.6000       49.09215 61.36399 9.492334 68.03065 7.496395 -6.666656      12.09547 
1 1 1 -19 9  28 o 50.17976 3.890671 125.6187       18.96074 107.3610       24.30339 154.0158       30.30959 45.91377 5.518230 55.03232 5.709600 -9.118549      7.940428 
1 1 1 -19 9  29 o 68.25983 3.457416 231.2230       23.02536 208.8890       30.80366 259.5030       34.66236 64.41132 4.923085 71.81432 4.961565 -7.403008      6.989557 
1 1 1 -19 9  30 o 53.84671 4.197266 145.2814       21.94775 150.7000       31.17376 139.9556       30.90558 54.22036 5.972642 52.15030 6.174055 2.070061       8.590192 
1 1 1 -19 9  31 o 48.18033 4.475880 116.9997       20.86699 96.95000       29.25257 137.7721       29.77512 42.81911 7.237059 51.75876 5.987384 -8.939651      9.392752 
1 1 1 -19 9  32 f 12.88381 5.871397 -9.204164      16.33997 -10.67140      20.87820 -6.884835      26.24966 14.64521 6.659606 17.24123 7.683889 -2.596025      10.16821 
1 1 1 -19 9  33 o 28.61610 6.702177 43.83351       18.44124 48.80963       24.33888 37.12617       28.25728 29.87121 8.115126 26.69192 9.063375 3.179293       12.16553 
1 1 1 -19 9  34 o 58.34723 4.020413 170.8985       22.82097 144.9449       30.55106 203.6602       34.32505 52.89303 6.007229 62.99419 5.625936 -10.10116      8.230308 
1 1 1 -19 9  35 o 43.44159 5.419200 97.60634       22.54368 104.9000       32.93581 91.17712       30.92251 43.78534 7.978687 40.72023 8.043591 3.065113       11.32955 
1 1 1 -19 9  36 o 27.46624 7.877447 41.87006       22.27663 36.76793       26.38641 54.53000       41.56431 26.05692 8.758421 30.90956 10.96379 -4.852638      14.03263 
1 1 1 -19 9  37 o 32.94071 6.558696 58.82619       20.40382 65.86386       27.93765 50.78137       29.86988 33.96024 8.441059 29.65532 9.270409 4.304924       12.53762 
1 1 1 -19 9  38 o 17.17043 7.123880 7.062171       19.65181 -7.526062      27.10045 23.24030       28.53903 17.00707 7.674851 22.77135 8.878325 -5.764284      11.73576 
1 1 1 -19 9  39 o 26.44350 7.725811 39.54222       21.24590 53.22589       30.12205 25.99547       29.97099 29.98669 9.299350 23.47405 9.113514 6.512646       13.02052 
1 1 1 -19 9  40 o 24.11025 7.973142 32.24066       21.88324 75.18607       30.48593 -13.40823      31.43086 35.72960 8.780574 17.43981 8.020511 18.28979       11.89231 
1 1 1 -19 9  41 o 23.95633 8.040782 31.88129       22.24008 65.79679       31.40540 -2.237255      31.49927 32.95907 9.320711 18.81993 8.400379 14.13914       12.54759 
1 1 1 -19 9  42 o 36.84695 6.731073 75.10230       23.38254 101.1101       33.02571 48.96115       33.11028 41.66223 8.389002 28.46344 9.806900 13.19880       12.90545 
1 1 1 -19 9  43 o 49.02948 6.368195 130.8683       29.84047 138.6568       35.55214 112.3000       54.89409 49.50269 7.577976 39.43710 12.59838 10.06559       14.70187 
1 1 1 -19 9  44 o 41.19305 6.400469 93.19946       24.96983 116.9675       36.11553 71.43337       34.56108 44.41370 8.618453 33.51088 9.870980 10.90282       13.10397 
1 1 1 -19 9  45 o 31.26112 9.773380 62.86228       33.19815 0.000000       0.000000 62.86228       33.19815 ?        ?        31.26112 9.773380 ?              ?        
1 1 1 -19 9  46 o 22.58282 9.899854 14.96000       41.87632 0.000000       0.000000 14.96000       41.87632 ?        ?        22.58282 9.899854 ?              ?        
1 1 1 -19 9  47 o 17.05284 7.476651 2.419786       23.89237 20.56972       36.18867 -11.60453      31.81091 22.46816 9.515839 17.27019 7.987569 5.197969       12.42387 
1 1 1 -19 9  48 o 63.54064 5.389320 216.0909       33.20316 239.4649       43.91592 184.9000       50.73055 65.06577 7.005727 53.56976 10.04374 11.49601       12.24569 
1 1 1 -19 9  49 o 18.50063 8.042940 6.558064       27.14661 -17.00448      35.80869 38.40000       41.62718 17.61581 8.255964 25.64854 10.47562 -8.032726      13.33790 
1 1 1 -19 9  50 o 18.26972 7.739159 9.606983       23.94439 37.06532       35.76579 -12.69607      32.23391 25.04643 9.886870 17.16240 7.973200 7.884031       12.70126 
1 1 1 -19 9  51 o 23.50428 8.419586 32.65729       24.57066 65.41087       36.36129 5.133380       33.33228 30.81957 10.28031 19.52850 8.683687 11.29107       13.45701 
1 1 1 -19 9  52 o 21.81933 8.337421 25.99297       24.80235 16.61602       36.74600 33.83979       33.61445 21.65483 9.386229 24.15606 9.569307 -2.501230      13.40421 
1 1 1 -19 9  53 o 25.61500 8.649527 41.45624       25.73365 29.30028       37.99578 51.75738       34.97709 23.49454 9.838697 27.56801 10.02283 -4.073479      14.04483 
1 1 1 -19 9  54 f 23.71634 9.268764 34.41663       31.16431 34.27224       37.86120 34.72000       54.87957 24.01125 9.918195 25.02533 11.13429 -1.014084      14.91117 
1 1 1 -19 9  55 o 20.42687 8.281344 21.08552       25.78684 26.15150       38.01622 16.76820       35.09491 22.58417 9.665005 20.91097 9.117093 1.673203       13.28660 
1 1 1 -19 10 1  o 124.8466 4.353102 766.7130       53.11494 0.000000       0.000000 766.7130       53.11494 ?        ?        124.8466 4.353102 ?              ?        
1 1 1 -19 10 2  o 68.25167 3.745341 229.3215       24.92545 194.9873       33.06704 274.5000       37.93129 62.69804 5.441937 74.50172 5.234777 -11.80368      7.550999 
1 1 1 -19 10 3  o 134.3669 3.880360 887.0907       50.98182 843.7059       62.94853 969.8000       86.91482 130.8794 4.922467 140.0435 6.357092 -9.164154      8.040106 
1 1 1 -19 10 4  o 181.4406 4.576360 1619.233       81.21086 1627.674       101.2421 1604.000       136.0022 181.6647 5.700621 179.7536 7.747883 1.911163       9.619084 
1 1 1 -19 10 5  o 130.5706 3.871650 837.7567       49.42740 795.7780       61.13318 917.0000       83.99324 127.0951 4.923391 136.1660 6.319102 -9.070923      8.010670 
1 1 1 -19 10 6  o 101.2709 3.677887 504.0557       36.39714 458.1936       45.27963 587.8000       61.18621 96.39872 4.813952 109.0543 5.752325 -12.65553      7.500892 
1 1 1 -19 10 7  o 60.53548 5.253463 181.7773       30.82087 181.7773       30.82087 0.000000       0.000000 60.53548 5.253463 ?        ?        ?              ?        
1 1 1 -19 10 8  o 64.45097 3.880737 204.7316       24.36876 171.3904       30.76254 260.9000       39.92800 58.73687 5.411423 72.52981 5.669132 -13.79293      7.837255 
1 1 1 -19 10 9  o 100.3018 4.109349 495.1577       40.25942 490.3000       55.88161 500.4000       58.05118 99.53806 5.760134 100.5294 5.925738 -0.9913177     8.263989 
1 1 1 -19 10 10 o 72.96600 3.599664 262.0173       25.62985 255.2877       31.88715 274.3000       43.07946 71.89995 4.554266 74.30885 5.973025 -2.408905      7.511216 
1 1 1 -19 10 11 o 46.16513 4.396155 105.7491       19.62569 97.49854       24.14856 121.8000       33.68214 44.09024 5.731036 49.05994 7.230561 -4.969692      9.226363 
1 1 1 -19 10 12 o 18.22614 7.674675 2.181655       23.31851 -5.168000      39.10210 6.238000       29.04919 22.21276 9.654853 20.93509 8.671346 1.277664       12.97723 
1 1 1 -19 10 13 o 63.73181 3.734440 200.2372       23.19427 185.0995       28.28683 231.3000       40.52034 61.12310 4.765586 68.12103 6.142876 -6.997932      7.774685 
1 1 1 -19 10 14 o 107.7448 4.183000 571.9473       44.03162 613.2000       62.04855 530.1000       62.49405 111.2546 5.716975 103.3056 6.208940 7.948967       8.440067 
1 1 1 -19 10 15 o 120.1867 3.692128 710.6699       43.38344 695.5651       53.15709 740.8000       75.07615 118.7332 4.582461 122.1065 6.302739 -3.373230      7.792526 
1 1 1 -19 10 16 o 82.38601 4.007158 334.7924       32.21748 333.7000       42.93602 336.2000       48.73838 81.99640 5.379302 82.14074 6.105525 -0.1443405     8.137218 
1 1 1 -19 10 17 o 100.3056 3.625379 495.4370       35.53612 472.3542       43.20630 543.7000       62.47554 97.76981 4.527063 104.5038 6.134597 -6.733963      7.624145 
1 1 1 -19 10 18 o 154.4633 4.993108 1180.478       75.39307 1281.000       108.9159 1088.000       104.4671 160.1008 6.966783 147.3907 7.263445 12.71005       10.06448 
1 1 1 -19 10 19 o 138.4044 4.689190 947.5809       63.43462 1021.000       90.44481 876.5000       88.99302 142.9899 6.478908 132.2872 6.896586 10.70267       9.462512 
1 1 1 -19 10 20 o 49.42841 4.150805 121.3818       19.89704 119.9397       23.53063 125.0000       37.27101 48.97223 4.977929 49.21444 8.012374 -0.2422142     9.432810 
1 1 1 -19 10 21 o 116.7508 3.901202 673.1786       44.51992 542.8000       76.30521 740.4657       54.81720 103.5067 7.584113 122.2440 4.589388 -18.73735      8.864606 
1 1 1 -19 10 22 o 52.03655 3.561670 134.0959       18.03192 124.4089       23.69142 147.4347       27.80062 49.84205 4.920222 54.20419 5.307769 -4.362133      7.237471 
1 1 1 -19 10 23 o 20.03264 6.501506 19.61923       14.58046 5.365065       18.28779 44.48755       24.15536 16.86545 6.922144 29.11214 8.153897 -12.24668      10.69589 
1 1 1 -19 10 24 o 58.17529 3.497842 167.5928       19.82597 178.2898       26.72201 154.4941       29.57012 59.76037 4.603709 55.35677 5.531264 4.403603       7.196459 
1 1 1 -19 10 25 o 39.79151 4.892664 79.98729       18.65574 65.57422       20.96155 134.9000       40.91491 35.61431 6.240349 50.54727 8.575650 -14.93296      10.60583 
1 1 1 -19 10 26 o 31.93073 5.887661 52.81195       17.72390 56.84946       20.04288 38.33000       37.95915 33.00586 6.435145 28.62135 10.43602 4.384510       12.26057 
1 1 1 -19 10 27 o 97.05008 3.207288 465.5934       30.42587 508.2946       43.17487 423.4656       42.88397 100.9797 4.378488 91.99040 4.779010 8.989304       6.481519 
1 1 1 -19 10 28 f 45.67582 4.080659 104.4721       18.05216 95.30918       23.13278 118.7426       28.86884 43.17386 5.606210 48.01680 6.293641 -4.842941      8.428493 
1 1 1 -19 10 29 o 98.34003 4.730982 484.9500       45.40587 0.000000       0.000000 484.9500       45.40587 ?        ?        98.34003 4.730982 ?              ?        
1 1 1 -19 10 30 o 53.41744 4.262201 143.1979       22.10083 132.4000       30.90425 154.5008       31.61859 50.58029 6.384033 54.86222 5.984870 -4.281933      8.750689 
1 1 1 -19 10 31 o 65.95278 4.680077 219.0768       30.01663 157.2000       62.35000 237.7443       34.24644 51.51443 12.49494 68.52061 5.143628 -17.00618      13.51224 
1 1 1 -19 10 32 o 14.90792 6.411545 0.9319568E-01  16.88453 -10.84752      21.76900 16.61345       26.75001 14.95945 6.801600 21.61825 8.545162 -6.658799      10.92161 
1 1 1 -19 10 33 o 76.63822 3.541326 292.6237       26.49366 293.8701       36.89683 291.2971       38.06591 76.15231 4.977214 75.71692 5.167107 0.4353943      7.174375 
1 1 1 -19 10 34 o 18.49559 7.133733 13.10671       18.27444 25.76001       23.84449 -4.905020      28.44879 23.05782 8.290030 18.11655 8.041009 4.941265       11.54913 
1 1 1 -19 10 35 o 82.61720 4.463075 345.2185       35.95800 295.1000       74.06694 360.6736       41.13021 70.89778 11.03165 84.09467 5.019576 -13.19689      12.11996 
1 1 1 -19 10 36 o 33.19985 6.799947 59.89693       21.35375 41.88000       30.19334 77.92679       30.20417 27.50165 9.368249 37.07780 8.503764 -9.576155      12.65220 
1 1 1 -19 10 37 o 36.35208 6.853615 72.15772       23.49268 68.99461       27.83516 79.99000       43.80066 34.74922 8.298222 35.68798 11.23590 -0.9387550     13.96803 
1 1 1 -19 10 38 o 41.50413 5.441314 90.48597       21.57367 135.5698       30.80310 47.07942       30.22467 50.31865 6.398528 28.46774 9.368384 21.85091       11.34494 
1 1 1 -19 10 39 o 16.88239 7.138916 5.100525       20.31483 38.98077       28.77061 -28.58680      28.68858 26.26482 9.136966 14.97470 7.128121 11.29012       11.58854 
1 1 1 -19 10 40 o 42.16862 5.790296 94.76709       23.26951 107.6266       33.29753 82.49209       32.53193 43.38177 8.140409 37.22777 9.022890 6.154003       12.15232 
1 1 1 -19 10 41 o 32.53857 7.279510 59.83458       22.60413 69.22002       32.55893 51.10187       31.40635 33.64777 9.481665 29.10391 9.548310 4.543861       13.45631 
1 1 1 -19 10 42 o 24.38136 8.620975 33.32567       25.68169 32.95214       30.95819 34.15000       45.99015 24.68550 9.342501 26.31871 10.90682 -1.633209      14.36109 
1 1 1 -19 10 43 o 35.97486 7.084151 73.08817       24.05741 99.96992       33.73882 45.28354       34.31307 40.94004 8.688484 27.38419 9.931393 13.55585       13.19554 
1 1 1 -19 10 44 o 24.04675 8.526325 32.91248       25.13551 31.72000       41.45868 33.60556       31.60696 25.17816 10.38734 24.63104 9.411868 0.5471191      14.01714 
1 1 1 -19 10 45 o 29.80068 9.323687 56.28770       30.20763 50.30000       44.70172 61.32000       40.98050 28.06068 11.06046 30.12857 10.86344 -2.067886      15.50316 
1 1 1 -19 10 46 o 21.99142 8.613532 24.64858       26.96296 -17.73000      55.20860 37.92279       30.89853 21.38271 10.09255 25.20231 9.376048 -3.819595      13.77570 
1 1 1 -19 10 47 o 20.60674 8.410310 18.10536       26.80757 -8.400000      56.45796 25.82066       30.46034 22.28683 10.41965 22.64657 9.063741 -0.3597393     13.81016 
1 1 1 -19 10 48 o 33.45390 7.604424 66.28248       24.33482 78.86276       37.87327 57.43681       31.75799 33.93968 10.41033 29.64717 9.593111 4.292513       14.15637 
1 1 1 -19 10 49 o 62.48454 5.253983 208.6021       31.83683 251.1057       42.62980 155.0000       47.87313 67.04563 6.580540 48.26520 10.43760 18.78043       12.33884 
1 1 1 -19 10 50 o 15.99915 7.343946 -8.546140      26.17939 21.41131       34.40429 -49.75000      40.34866 22.17770 9.329412 16.05456 7.836738 6.123138       12.18410 
1 1 1 -19 10 51 o 28.03100 8.919888 50.28749       27.53928 40.93443       36.05267 63.39000       42.67148 25.60904 9.980518 29.71571 11.02540 -4.106663      14.87179 
1 1 1 -19 10 52 o 16.97275 7.482294 2.378994       24.23038 -7.098407      36.81382 9.622787       32.18469 18.70712 8.631034 19.87075 8.695788 -1.163626      12.25200 
1 1 1 -19 10 53 o 30.77170 9.504683 63.97700       31.50336 80.27890       38.84055 32.63000       53.85973 33.31013 10.59240 25.00005 11.08182 8.310081       15.32990 
1 1 1 -19 10 54 o 26.43744 8.604753 45.48188       25.52995 53.24610       37.64836 38.87214       34.73675 27.27798 10.30736 24.57993 9.730752 2.698051       14.17495 
1 1 1 -19 10 55 o 47.37382 7.005922 132.5514       31.50859 233.4000       59.31965 92.91546       37.18848 56.43090 11.13489 35.87282 10.14193 20.55808       15.06136 
1 1 1 -19 11 1  f 123.8213 4.315991 754.3654       52.22971 0.000000       0.000000 754.3654       52.22971 ?        ?        123.8213 4.315991 ?              ?        
1 1 1 -19 11 2  o 123.7448 3.214641 751.6585       38.90431 701.2645       56.18342 798.0811       53.92410 119.2977 4.821316 127.3594 4.331898 -8.061752      6.481545 
1 1 1 -19 11 3  o 149.9414 3.538507 1103.420       51.93354 1020.389       73.39921 1186.659       73.49111 143.8592 5.221179 155.2298 4.842672 -11.37064      7.121248 
1 1 1 -19 11 4  o 37.26558 5.370454 69.78851       19.02484 66.71458       27.39999 72.65000       26.43625 35.97274 7.989539 37.65523 7.436422 -1.682491      10.91481 
1 1 1 -19 11 5  o 79.14525 3.659123 308.1672       28.27035 286.5157       36.73859 339.6000       44.26603 76.13871 4.956531 82.83389 5.490531 -6.695175      7.396832 
1 1 1 -19 11 6  o 183.6777 5.577934 1664.772       100.1688 1588.000       138.4898 1749.000       145.0585 178.6386 7.940042 187.4989 7.921693 -8.860291      11.21595 
1 1 1 -19 11 7  f 113.7769 4.298551 637.2642       47.78601 650.2000       68.35628 624.9000       66.82886 114.5889 6.116541 112.3345 6.100667 2.254372       8.638878 
1 1 1 -19 11 8  o 101.6787 3.707591 508.3636       36.83837 453.5943       45.37257 614.3000       63.10266 95.87319 4.850688 111.4257 5.805727 -15.55253      7.565424 
1 1 1 -19 11 9  o 75.07739 3.602432 277.4031       26.39625 267.9653       33.06014 294.0000       43.84132 73.65466 4.608720 76.95343 5.864524 -3.298775      7.458750 
1 1 1 -19 11 10 o 59.98218 5.128692 178.5687       29.82304 125.0000       47.80523 212.7000       38.15892 48.99360 10.29614 65.34186 6.034343 -16.34826      11.93414 
1 1 1 -19 11 11 o 122.3853 4.423635 737.9379       52.90535 712.2000       73.12982 766.2000       76.63192 119.8315 6.256395 124.2864 6.319866 -4.454903      8.892873 
1 1 1 -19 11 12 o 133.2812 3.872452 873.8801       50.46617 817.3129       60.77568 999.5000       90.56845 128.7056 4.832796 141.8885 6.538721 -13.18292      8.130854 
1 1 1 -19 11 13 o 33.63681 5.729775 57.44185       18.18950 72.47799       22.67781 30.32000       30.45739 37.75336 6.362745 26.32872 9.380501 11.42464       11.33483 
1 1 1 -19 11 14 o 65.50374 3.668121 211.5680       23.42489 205.6901       28.65869 223.4000       40.66073 64.45078 4.572472 66.84903 6.287877 -2.398254      7.774632 
1 1 1 -19 11 15 o 36.76029 5.147050 68.00591       18.01326 74.37660       21.46578 52.84000       33.11982 38.31966 5.912966 32.15210 9.709777 6.167568       11.36851 
1 1 1 -19 11 16 o 106.6283 4.214455 561.0016       43.89995 617.7000       61.78697 503.2000       62.38517 111.5334 5.678286 100.4431 6.378289 11.09027       8.539642 
1 1 1 -19 11 17 o 83.46435 3.591752 343.3356       29.27493 333.7926       35.50511 363.6000       51.73877 82.14375 4.432222 85.30997 6.239122 -3.166229      7.653185 
1 1 1 -19 11 18 f 13.90214 6.014713 -1.691273      15.03277 3.483699       17.29794 -17.66000      30.38614 16.10186 6.682356 17.60489 8.016620 -1.503029      10.43648 
1 1 1 -19 11 19 o 72.25835 3.670418 257.8305       25.87527 250.9287       31.34328 272.6000       45.85073 71.11696 4.526104 73.64612 6.424737 -2.529160      7.858935 
1 1 1 -19 11 20 o 80.24915 4.097257 318.7571       32.07746 344.3000       42.90958 286.4000       48.29525 83.10258 5.302801 75.36899 6.613402 7.733589       8.476838 
1 1 1 -19 11 21 o 39.18877 4.699332 77.14912       17.66710 68.44735       20.52852 102.0000       34.69163 36.59389 5.934244 44.13892 8.335083 -7.545029      10.23176 
1 1 1 -19 11 22 o 53.01647 3.585826 139.2777       18.49880 131.9008       24.22763 149.5910       28.64661 51.31430 4.882306 54.53172 5.439310 -3.217411      7.309104 
1 1 1 -19 11 23 o 77.75932 3.196751 298.4341       24.27954 278.3351       33.08617 321.8868       35.74010 74.76791 4.542332 80.41917 4.559031 -5.651260      6.435646 
1 1 1 -19 11 24 o 54.69294 4.009052 148.8863       21.31334 132.2168       24.59184 199.2000       42.72418 51.29012 4.960192 62.28682 7.136338 -10.99671      8.690847 
1 1 1 -19 11 25 o 34.25531 5.457922 60.15064       17.68688 43.21184       19.75161 128.7000       39.73406 28.59303 7.091928 49.25698 8.551183 -20.66394      11.10937 
1 1 1 -19 11 26 o 52.53654 3.725564 137.3578       19.03414 116.2368       24.92333 166.9170       29.48459 47.85167 5.416233 57.48228 5.299921 -9.630615      7.577911 
1 1 1 -19 11 27 o 61.10918 3.457003 185.3406       20.59385 143.4099       26.82746 245.4988       32.13369 53.23490 5.215300 69.96275 4.719942 -16.72785      7.034003 
1 1 1 -19 11 28 o 36.90905 5.097831 69.55513       17.92598 41.51000       23.39704 109.4172       27.89406 27.87780 8.096847 45.99266 6.366624 -18.11486      10.30014 
1 1 1 -19 11 29 o 67.87233 3.755035 229.4347       24.84947 251.3000       36.70517 210.9335       33.76373 70.42243 5.365267 64.47255 5.399747 5.949883       7.612054 
1 1 1 -19 11 30 o 61.45822 3.685418 188.2542       22.06852 198.1543       29.93564 176.4691       32.66141 62.62462 4.923126 58.73946 5.754409 3.885159       7.573004 
1 1 1 -19 11 31 o 45.99657 4.389020 106.7540       19.52125 128.0510       25.68014 77.60118       30.04540 50.07959 5.320090 37.67806 8.364847 12.40153       9.913325 
1 1 1 -19 11 32 o 47.45798 4.421450 113.8077       20.30273 123.2705       26.72364 100.8898       31.22347 48.92430 5.686208 43.34682 7.637927 5.577484       9.522126 
1 1 1 -19 11 33 o 18.72017 7.018151 14.65369       17.37854 35.67239       22.18588 -18.72144      27.95666 25.77457 7.978799 16.14738 7.475203 9.627182       10.93343 
1 1 1 -19 11 34 o 59.89208 4.083432 180.6568       23.79554 177.6605       33.00389 183.9006       34.33979 58.54546 5.836948 59.49368 5.977782 -0.9482231     8.354869 
1 1 1 -19 11 35 o 33.34909 6.473210 59.77641       20.36831 74.36525       27.78553 42.83074       29.94592 36.53832 7.991940 27.80071 9.330364 8.737612       12.28523 
1 1 1 -19 11 36 o 12.11875 5.755814 -20.24296      18.49798 -26.53629      24.66457 -12.15243      27.96544 13.89256 6.611970 16.73125 7.646292 -2.838689      10.10861 
1 1 1 -19 11 37 o 22.77043 7.796433 27.48648       20.91676 27.43000       30.28290 27.53802       28.92531 23.91339 9.193672 23.74996 9.020837 0.1634274      12.88018 
1 1 1 -19 11 38 o 33.04824 7.447900 61.39249       23.51409 72.58446       29.26883 41.02000       39.48882 35.34205 8.553780 27.46242 10.51360 7.879627       13.55371 
1 1 1 -19 11 39 o 16.17392 6.938444 2.736722       19.67981 18.30440       27.56519 -13.44732      28.10558 21.39227 8.601415 16.43496 7.567826 4.957319       11.45671 
1 1 1 -19 11 40 o 19.26812 7.561645 15.29559       20.81401 -1.023948      28.87166 32.95516       30.03363 18.28890 8.109940 24.79731 9.240292 -6.508410      12.29447 
1 1 1 -19 11 41 o 28.55995 8.403626 48.03663       25.06083 45.21357       30.14762 54.35000       45.08415 27.58890 9.361700 29.67397 11.26416 -2.085073      14.64660 
1 1 1 -19 11 42 o 20.20566 7.788456 18.81388       21.77304 18.91924       30.28734 18.70120       31.32221 21.75308 8.915972 21.89182 9.029811 -0.1387386     12.68984 
1 1 1 -19 11 43 o 36.78670 6.987232 76.17464       24.23978 138.3683       35.77201 23.37226       32.96075 49.24526 7.670959 22.87953 9.330317 26.36573       12.07884 
1 1 1 -19 11 44 o 23.77724 9.006831 31.07719       28.78875 34.41000       39.69762 27.38000       41.81146 25.34011 10.27439 24.44814 10.28467 0.8919697      14.53745 
1 1 1 -19 11 45 o 24.25644 8.193386 34.57362       23.09107 26.26733       34.14561 41.57333       31.34522 23.22246 9.486541 26.09814 9.488244 -2.875685      13.41720 
1 1 1 -19 11 46 o 34.25145 7.422229 68.59952       24.16394 66.49640       36.63323 70.21936       32.14995 31.37093 10.31337 32.97234 9.465642 -1.601414      13.99871 
1 1 1 -19 11 47 o 50.36646 6.250681 139.9608       30.15491 84.76000       62.54466 156.6785       34.41959 32.55455 13.00171 52.77248 6.822862 -20.21793      14.68318 
1 1 1 -19 11 48 o 20.75490 8.443322 19.20597       26.91325 5.396000       54.79212 23.59734       30.89736 23.06695 10.60156 22.16578 9.035696 0.9011688      13.92971 
1 1 1 -19 11 49 o 30.65086 8.016074 57.14389       24.31868 62.80482       36.75313 52.73529       32.43400 30.30483 10.33569 28.36299 9.708511 1.941839       14.18032 
1 1 1 -19 11 50 o 24.27572 8.768515 35.38990       26.71334 41.30579       34.97804 27.11000       41.38070 25.76458 9.887021 23.80470 10.13236 1.959873       14.15690 
1 1 1 -19 11 51 o 17.16914 7.708446 -0.9962418     26.94479 15.99556       35.81375 -23.16000      40.90268 21.39958 9.271026 18.05099 8.569178 3.348591       12.62469 
1 1 1 -19 11 52 o 19.55647 8.876350 1.190300       36.87786 1.190300       36.87786 0.000000       0.000000 19.55647 8.876350 ?        ?        ?              ?        
1 1 1 -19 11 53 o 21.32314 8.294925 24.93135       24.86706 14.51188       38.09436 32.66793       32.82557 21.21907 9.366850 23.51676 9.410060 -2.297688      13.27732 
1 1 1 -19 11 54 o 19.20450 8.267696 12.78029       28.12965 -15.71000      53.61642 23.60071       33.04238 20.26591 9.674030 21.66451 9.129881 -1.398594      13.30194 
1 1 1 -19 12 1  o 93.92780 3.001892 433.1624       27.56369 385.2794       41.39761 471.2959       36.94344 88.35086 4.805027 97.87949 3.863611 -9.528625      6.165694 
1 1 1 -19 12 2  o 53.26769 3.327245 139.7796       17.26158 108.6408       27.95030 158.9789       21.94714 46.48019 6.305943 56.74810 3.976286 -10.26791      7.454916 
1 1 1 -19 12 3  o 111.6820 3.109471 612.3489       33.95885 579.8398       50.02283 640.1380       46.24900 108.4510 4.723578 114.0527 4.149685 -5.601662      6.287454 
1 1 1 -19 12 4  o 79.73514 3.601347 312.7787       28.03486 362.7000       65.84210 301.7239       30.98383 85.06078 8.002024 78.25491 4.058859 6.805870       8.972554 
1 1 1 -19 12 5  o 67.75652 3.898310 226.2783       25.74522 192.9913       33.61607 273.5000       40.03878 62.31190 5.570180 74.26753 5.547854 -11.95563      7.861653 
1 1 1 -19 12 6  o 159.8823 5.097124 1260.594       79.66666 1255.000       113.6416 1266.000       111.7145 158.8886 7.326709 159.6378 7.167647 -0.7491455     10.24967 
1 1 1 -19 12 7  o 134.5263 3.894675 889.9515       51.23034 854.6560       63.13360 958.0000       87.66177 131.6439 4.908115 139.0081 6.460310 -7.364166      8.113273 
1 1 1 -19 12 8  o 110.5149 4.290172 601.5922       46.32080 615.2000       66.81525 589.0000       64.27364 111.3874 6.152102 109.0066 6.047552 2.380821       8.626774 
1 1 1 -19 12 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 12 10 o 77.26385 3.651440 293.9386       27.53697 269.4671       33.98700 340.7000       46.98140 73.81512 4.728806 82.82949 5.832030 -9.014374      7.508275 
1 1 1 -19 12 11 o 83.42888 3.623506 342.6395       29.51990 333.7885       37.01773 358.1000       48.92412 82.19225 4.619812 84.88962 5.925122 -2.697372      7.513303 
1 1 1 -19 12 12 o 106.5723 4.238260 559.9177       44.12362 571.3000       62.48923 548.6000       62.31158 107.2714 5.974953 105.0845 6.083936 2.186874       8.527270 
1 1 1 -19 12 13 o 35.54526 5.340736 63.78099       18.00786 40.21651       22.27816 108.2000       30.58685 27.97270 7.829173 46.14373 6.990685 -18.17103      10.49598 
1 1 1 -19 12 14 o 34.30743 5.626890 59.73083       18.24120 53.02742       22.41943 72.86000       31.37582 31.98959 7.318947 37.35111 8.738168 -5.361521      11.39836 
1 1 1 -19 12 15 o 104.0049 3.617027 532.6917       36.76632 496.8864       44.62131 608.4000       64.88445 100.2602 4.558747 110.5724 6.017661 -10.31220      7.549464 
1 1 1 -19 12 16 o 54.59943 4.058729 147.6855       21.53609 147.7260       26.15162 147.6000       37.96222 54.44518 4.961648 53.84335 7.398402 0.6018295      8.908104 
1 1 1 -19 12 17 o 13.80702 6.074059 -4.052377      15.89075 4.741608       18.94412 -24.93000      29.18919 17.04258 7.025326 16.29145 7.574948 0.7511272      10.33127 
1 1 1 -19 12 18 o 28.71320 6.212528 42.63126       16.95239 50.78817       20.14666 22.85000       31.37380 31.29019 6.774580 24.65151 9.387399 6.638676       11.57662 
1 1 1 -19 12 19 o 65.77399 3.785638 214.0245       24.26951 206.0831       29.57449 230.4000       42.46857 64.34400 4.728757 67.57072 6.501145 -3.226723      8.039032 
1 1 1 -19 12 20 o 15.58596 6.364733 4.785507       15.36355 -1.321166      17.56185 24.70000       31.71412 15.09841 6.516542 25.02493 9.459273 -9.926520      11.48665 
1 1 1 -19 12 21 o 79.58521 3.658429 313.2065       28.42300 318.7528       34.80356 302.1000       49.25090 80.09032 4.457114 77.27895 6.573310 2.811371       7.941931 
1 1 1 -19 12 22 o 23.78614 6.797852 29.26864       16.61753 26.01768       19.08706 39.45000       33.77819 22.91647 7.438811 28.53064 9.901675 -5.614170      12.38463 
1 1 1 -19 12 23 f 50.41014 4.310061 126.9281       21.06322 128.5142       24.86658 122.9000       39.62866 50.52629 5.097593 48.16420 8.727041 2.362091       10.10677 
1 1 1 -19 12 24 o 73.68331 3.705588 269.2776       26.64013 260.5250       31.66059 290.5000       49.29995 72.24618 4.499445 75.41736 6.749630 -3.171181      8.111876 
1 1 1 -19 12 25 o 74.19077 3.265867 272.3607       23.65860 292.4114       33.13858 251.5170       33.78748 76.52900 4.442967 70.80180 4.905678 5.727196       6.618582 
1 1 1 -19 12 26 o 28.52818 5.790765 42.41639       15.61718 42.89224       19.76644 41.62589       25.47679 28.41692 7.121336 28.04658 8.525762 0.3703480      11.10865 
1 1 1 -19 12 27 o 53.20425 4.021550 141.4728       20.78827 135.1000       29.09676 148.1174       29.71096 51.38041 5.891969 53.89118 5.719625 -2.510777      8.211541 
1 1 1 -19 12 28 o 64.86022 3.767954 209.5731       23.81861 238.7000       35.55096 185.8496       32.08435 68.64954 5.332420 60.46928 5.480100 8.180256       7.646319 
1 1 1 -19 12 29 o 15.30921 6.358778 3.832280       15.68199 -8.531281      19.62344 25.68211       26.08720 14.47973 6.532906 23.65395 8.647324 -9.174219      10.83767 
1 1 1 -19 12 30 o 49.44398 4.180415 122.8379       20.04260 139.2165       26.80398 102.0661       30.18540 52.25880 5.313853 43.88231 7.282692 8.376488       9.015244 
1 1 1 -19 12 31 o 14.69218 6.320410 0.5333330E-01  16.41609 -5.384387      20.42030 9.988196       27.60163 15.28960 6.797899 20.47457 8.463938 -5.184971      10.85586 
1 1 1 -19 12 32 o 17.24998 6.772181 10.10070       16.70013 22.90856       20.97607 -12.07196      27.59909 21.88162 7.785901 16.88702 7.670315 4.994598       10.92950 
1 1 1 -19 12 33 o 24.83605 7.134340 33.28893       18.25822 46.71140       23.70875 13.72735       28.62162 29.07586 8.053950 21.29216 8.690152 7.783701       11.84841 
1 1 1 -19 12 34 o 10.61398 5.163520 -28.26701      17.10680 -14.48294      22.01855 -49.25741      27.17129 14.40418 6.656149 12.86101 6.309837 1.543167       9.171606 
1 1 1 -19 12 35 o 23.53146 7.359394 29.93068       18.82213 48.42463       25.09835 6.162177       28.45321 29.25152 8.352546 19.65282 8.384672 9.598700       11.83502 
1 1 1 -19 12 36 o 11.69345 5.564855 -19.74712      17.46349 -24.40759      22.77249 -13.09339      27.20999 13.37043 6.360582 16.30917 7.486568 -2.938743      9.823731 
1 1 1 -19 12 37 o 19.21383 7.381239 15.75843       19.50956 24.46101       26.55299 5.548779       28.76039 22.66391 8.634772 19.43270 8.362839 3.231211       12.02066 
1 1 1 -19 12 38 o 68.53850 5.085764 243.6872       33.87593 273.2000       44.70811 203.9000       51.91017 71.37814 6.469219 58.99732 9.296421 12.38083       11.32582 
1 1 1 -19 12 39 o 17.11747 7.411479 2.446903       22.86046 -10.03876      28.28198 25.98000       38.82787 16.88607 7.706514 24.53230 10.07948 -7.646233      12.68804 
1 1 1 -19 12 40 o 65.57391 4.768636 222.3934       30.39858 267.7899       38.43890 146.6000       49.66780 71.32209 5.549707 48.08408 10.81560 23.23801       12.15633 
1 1 1 -19 12 41 o 50.09081 5.021782 131.4032       24.29021 169.9448       34.65736 94.19259       34.05369 55.89449 6.452956 39.56981 8.996455 16.32468       11.07144 
1 1 1 -19 12 42 o 16.41607 7.134860 2.010849       21.35127 -4.095010      30.73022 7.709301       29.68730 18.15967 8.185850 19.62373 8.471167 -1.464058      11.78002 
1 1 1 -19 12 43 o 28.94677 9.151735 51.70496       29.03015 51.76000       39.45629 51.64000       42.86486 28.60880 10.60428 28.61039 10.95363 -0.1594543E-02 15.24575 
1 1 1 -19 12 44 o 33.46572 7.379716 65.04502       23.52292 81.35904       34.48151 50.84374       32.17137 35.58937 9.655172 28.28611 9.669477 7.303253       13.66459 
1 1 1 -19 12 45 o 37.11109 6.776571 78.03926       23.70936 96.23522       35.76435 63.77260       31.66826 38.85607 9.487164 31.42155 9.495794 7.434519       13.42298 
1 1 1 -19 12 46 o 21.16122 8.026390 23.33738       22.88014 13.31196       34.12585 31.52414       30.83816 21.01722 9.077580 23.79170 9.242310 -2.774488      12.95464 
1 1 1 -19 12 47 o 14.68216 6.766580 -9.987233      22.53827 -30.70605      33.47279 7.197087       30.48426 15.76301 7.556566 19.33044 8.461060 -3.567426      11.34422 
1 1 1 -19 12 48 o 27.15298 8.193076 45.23531       23.58825 39.43000       35.27039 49.93299       31.72779 25.45275 9.885136 27.73474 9.597968 -2.281994      13.77813 
1 1 1 -19 12 49 o 21.19577 8.540222 21.51031       27.23564 63.80000       53.10380 6.415940       31.72605 29.53562 11.91642 19.41387 8.559961 10.12176       14.67222 
1 1 1 -19 12 50 o 17.66837 7.837383 2.206342       26.98590 1.974000       52.87402 2.288183       31.38083 22.26616 10.29811 18.69630 8.362113 3.569862       13.26559 
1 1 1 -19 12 51 o 23.27234 9.027323 31.02103       29.38712 44.73276       36.08141 4.002000       50.64916 26.28082 10.05262 22.10520 10.17170 4.175613       14.30101 
1 1 1 -19 12 52 o 20.08654 8.392826 16.81027       27.55634 24.36292       36.24827 6.469000       42.41552 22.50244 9.526709 20.99278 9.524796 1.509659       13.47145 
1 1 1 -19 12 53 o 43.01170 8.590158 117.0101       34.89877 180.5000       54.85159 73.83000       45.23547 49.16803 11.58816 30.56452 11.34965 18.60351       16.22036 
1 1 1 -19 12 54 o 18.45877 8.045324 9.151906       27.30971 43.94123       36.21907 -36.69000      41.57629 25.38707 9.971300 16.77095 8.133492 8.616119       12.86781 
1 1 1 -19 13 1  o 79.00525 2.956754 306.6175       22.82498 276.0648       35.47717 328.1959       29.81496 74.71336 4.877819 81.65352 3.740314 -6.940155      6.146793 
1 1 1 -19 13 2  o 76.68507 3.437272 289.2827       25.73509 366.6000       63.40307 274.0319       28.15905 85.55968 7.651353 74.58012 3.870591 10.97956       8.574654 
1 1 1 -19 13 3  o 86.21244 3.498332 365.5475       29.46010 484.9000       71.65303 341.2673       32.31805 98.53020 7.485505 83.23432 3.978282 15.29588       8.476998 
1 1 1 -19 13 4  o 143.1859 3.464593 1006.668       48.55775 890.6511       68.08762 1126.749       69.26969 134.3143 5.188686 151.2111 4.685737 -16.89677      6.991322 
1 1 1 -19 13 5  o 70.75450 3.160622 246.1693       21.83410 200.8356       34.77964 275.6577       28.05041 63.53673 5.651250 74.79993 3.844067 -11.26320      6.834726 
1 1 1 -19 13 6  o 159.4687 4.239027 1251.748       66.10930 1230.992       81.74081 1291.000       112.4062 157.8869 5.296659 161.1107 7.145641 -3.223877      8.894650 
1 1 1 -19 13 7  o 86.49487 4.527903 369.3034       38.20135 290.6000       58.70756 427.1000       50.30929 75.95795 8.016932 92.84170 5.561530 -16.88375      9.757141 
1 1 1 -19 13 8  o 30.36082 6.304090 47.29886       18.12100 47.26987       23.65771 47.34000       28.18715 30.24605 7.904522 30.44358 8.900026 -0.1975288     11.90344 
1 1 1 -19 13 9  o 75.46782 3.679049 280.5602       27.09524 258.6164       34.14088 317.9000       44.53524 72.27098 4.854346 79.99282 5.725695 -7.721840      7.506548 
1 1 1 -19 13 10 o 37.81567 5.250227 71.92094       18.91023 74.48767       24.41195 68.07000       29.90163 38.18432 6.779813 36.16319 8.577827 2.021130       10.93366 
1 1 1 -19 13 11 o 76.05773 3.638800 285.0334       27.01135 263.0976       33.84789 323.5000       44.82253 72.88520 4.770674 80.65869 5.714258 -7.773491      7.443929 
1 1 1 -19 13 12 o 142.6810 4.771188 1005.578       66.54075 1085.000       97.82898 937.2000       90.77239 147.5281 6.792875 137.0934 6.785515 10.43477       9.601373 
1 1 1 -19 13 13 f 25.92017 6.787944 34.67128       17.42257 19.09177       21.46676 64.74000       29.82272 21.50980 7.847241 35.19103 8.706169 -13.68123      11.72078 
1 1 1 -19 13 14 o 101.2938 3.634815 505.4543       35.98045 486.3239       44.51592 541.5000       61.10546 99.16092 4.598890 104.2691 6.012622 -5.108154      7.569770 
1 1 1 -19 13 15 o 37.37701 5.300559 70.52219       18.84916 69.74781       23.21592 72.02000       32.28772 36.86028 6.680514 37.00834 9.000921 -0.1480598     11.20919 
1 1 1 -19 13 16 o 14.58301 6.286333 -1.268795      16.30370 -18.64205      19.65517 37.05000       29.19055 13.16908 6.153948 27.60063 9.211115 -14.43155      11.07771 
1 1 1 -19 13 17 o 88.29688 3.656361 384.7616       31.53262 385.8558       39.35683 382.8000       52.69494 88.21654 4.573507 87.39575 6.200138 0.8207855      7.704458 
1 1 1 -19 13 18 o 19.10399 6.948075 15.25779       16.81069 17.19762       19.93936 10.49000       31.25989 20.50440 7.549415 22.13297 9.063276 -1.628571      11.79562 
1 1 1 -19 13 19 o 21.20710 7.072469 21.57534       17.20969 19.47251       20.74977 26.21000       30.80491 21.31488 7.724038 25.15617 9.361263 -3.841290      12.13647 
1 1 1 -19 13 20 o 77.96914 4.153944 301.5756       31.58780 319.7000       42.28882 278.7000       47.50934 79.90788 5.439091 74.17953 6.612424 5.728348       8.562001 
1 1 1 -19 13 21 o 30.63471 6.145090 48.66352       17.78511 48.23592       20.88962 49.79000       33.90601 30.29705 7.158495 30.98889 9.901434 -0.6918354     12.21812 
1 1 1 -19 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 13 23 o 78.31071 4.641594 306.2977       35.41947 306.2977       35.41947 0.000000       0.000000 78.31071 4.641594 ?        ?        ?              ?        
1 1 1 -19 13 24 o 49.47304 3.856825 122.0207       18.52942 121.4406       24.66105 122.7727       28.07965 48.98578 5.223724 49.01301 5.976371 -0.2722931E-01 7.937525 
1 1 1 -19 13 25 o 77.75465 3.301443 299.3316       25.06956 299.7245       35.42117 298.9373       35.48635 77.35241 4.700431 77.24461 4.715868 0.1077957      6.658338 
1 1 1 -19 13 26 o 47.85635 4.255593 114.8851       19.72684 73.05000       26.80110 164.3458       29.14156 37.00738 7.651615 56.96332 5.286837 -19.95594      9.300423 
1 1 1 -19 13 27 o 29.74314 5.846447 46.22481       16.41388 23.28715       20.86683 83.45022       26.58286 22.14191 7.775881 39.76794 7.089088 -17.62603      10.52233 
1 1 1 -19 13 28 o 94.61407 3.330347 443.9204       30.79453 447.5027       43.85838 440.4372       43.24811 94.35475 4.764203 93.62029 4.734818 0.7344666      6.716855 
1 1 1 -19 13 29 o 59.45642 3.704049 176.3383       21.44960 134.7291       28.15181 233.9241       33.11842 51.25244 5.708348 68.00891 5.010223 -16.75647      7.595234 
1 1 1 -19 13 30 o 37.01204 5.092210 70.30414       17.95982 50.95398       22.86748 101.4545       29.01400 30.62681 7.650798 43.80033 7.003228 -13.17352      10.37207 
1 1 1 -19 13 31 o 49.27099 4.253597 122.4028       20.31349 108.0887       26.54418 142.6337       31.55697 45.57397 6.103725 52.35940 6.282686 -6.785431      8.759429 
1 1 1 -19 13 32 o 13.94494 6.155956 -3.401569      16.45477 -9.160345      20.79485 6.243261       26.91151 14.76146 6.686232 19.47760 8.225507 -4.716135      10.60022 
1 1 1 -19 13 33 f 15.12789 6.553373 -0.3056995     17.89168 -9.420307      23.64386 11.90634       27.36803 15.75731 7.134202 20.56006 8.456441 -4.802752      11.06383 
1 1 1 -19 13 34 o 54.22956 5.654360 153.0345       29.57375 27.04000       67.20922 183.2874       32.93343 29.17745 12.67018 59.33800 5.741854 -30.16055      13.91051 
1 1 1 -19 13 35 o 48.70186 4.537647 121.4341       21.38238 124.3997       29.14309 117.9763       31.46921 48.34476 6.308939 46.56322 7.131301 1.781544       9.521459 
1 1 1 -19 13 36 o 13.28625 6.087012 -9.694122      17.86896 -22.70963      23.79633 7.133504       27.05770 13.92975 6.590145 19.28257 8.199891 -5.352826      10.51990 
1 1 1 -19 13 37 o 13.83142 6.301741 -8.555156      18.80878 -42.96715      25.85174 30.14855       27.41644 12.73307 6.227724 24.03732 8.852056 -11.30425      10.82328 
1 1 1 -19 13 38 o 45.02974 5.082292 105.9148       22.00996 113.3569       31.43363 98.75643       30.82874 45.13930 7.368275 41.75836 7.829921 3.380943       10.75170 
1 1 1 -19 13 39 o 36.85009 7.620195 77.13064       26.57788 86.22000       34.65010 64.14000       41.42411 37.69510 9.418553 31.71963 10.96744 5.975464       14.45662 
1 1 1 -19 13 40 o 20.04986 7.938718 16.83689       23.12413 9.957275       28.17649 31.03000       40.47098 19.78619 8.389010 25.35986 10.33992 -5.573666      13.31501 
1 1 1 -19 13 41 o 15.89931 6.913602 1.336018       20.06776 -4.122031      27.40458 7.646861       29.46782 17.28591 7.766342 19.61083 8.452520 -2.324921      11.47873 
1 1 1 -19 13 42 o 33.90395 7.653440 66.68413       24.79478 76.75000       38.20073 59.35649       32.59329 34.21399 10.44777 30.66999 9.697196 3.543995       14.25453 
1 1 1 -19 13 43 o 24.39384 8.067886 34.70446       22.40620 46.42555       31.92650 23.32837       31.45312 27.36447 9.617610 22.48000 9.134162 4.884476       13.26391 
1 1 1 -19 13 44 o 24.55135 8.041151 35.63803       22.27817 50.13181       32.27739 22.45135       30.78756 28.02684 9.681619 22.07985 9.012466 5.946985       13.22718 
1 1 1 -19 13 45 o 42.25331 5.916946 97.86301       23.80183 82.74138       34.88809 111.0295       32.55467 35.57225 9.737367 43.28078 7.978312 -7.708530      12.58848 
1 1 1 -19 13 46 o 13.55657 6.385701 -17.17128      21.89939 -23.95508      32.25628 -11.37080      29.82699 16.08232 7.627381 16.74608 7.741397 -0.6637535     10.86767 
1 1 1 -19 13 47 o 61.74393 4.516365 199.2629       27.10660 233.6479       40.26441 170.7617       36.65793 64.85321 6.427298 54.80548 6.992449 10.04773       9.497605 
1 1 1 -19 13 48 o 31.04222 7.738214 57.91489       23.42901 37.90060       34.05750 75.89577       32.28109 25.07702 9.720734 34.19570 9.368887 -9.118681      13.50069 
1 1 1 -19 13 49 o 16.14228 7.205177 -1.204279      23.17336 -31.32553      33.34524 26.93145       32.22748 15.62415 7.503657 22.81928 9.255508 -7.195135      11.91509 
1 1 1 -19 13 50 o 19.25499 8.774810 -1.393176      36.49516 11.92000       53.77597 -12.76000      49.68977 23.20173 10.60326 20.49884 9.644351 2.702885       14.33327 
1 1 1 -19 13 51 o 21.32505 8.600535 22.71515       27.65058 96.69000       53.62403 -4.077035      32.27167 34.23822 12.41563 18.00153 8.221914 16.23669       14.89120 
1 1 1 -19 13 52 o 18.98173 8.225367 10.16553       28.20336 -11.59000      56.68652 17.32248       32.51312 21.27827 10.09739 20.84632 8.930079 0.4319515      13.47974 
1 1 1 -19 13 53 o 37.36823 8.124611 87.47142       28.86829 76.57013       37.66194 103.0000       44.94998 32.11182 10.45113 36.16988 11.38164 -4.058064      15.45212 
1 1 1 -19 14 1  o 183.6399 3.973104 1658.197       71.41724 1573.932       100.6427 1743.667       101.3596 178.3621 5.772258 187.8286 5.519100 -9.466431      7.986202 
1 1 1 -19 14 2  o 144.0656 3.953308 1021.245       55.69503 1182.000       114.3415 971.2404       63.77175 153.9091 7.613482 140.3470 4.648563 13.56213       8.920440 
1 1 1 -19 14 3  o 141.5668 3.417118 984.2688       47.35082 945.1465       69.19453 1018.724       64.93647 138.3331 5.119046 143.7433 4.621252 -5.410141      6.896420 
1 1 1 -19 14 4  o 37.63102 4.059103 70.44691       14.71516 40.55065       25.63641 85.13663       17.97031 28.33123 8.539790 41.33979 4.514285 -13.00856      9.659543 
1 1 1 -19 14 5  o 153.7294 4.177578 1163.677       62.80366 1140.856       77.91756 1206.000       106.1090 151.9473 5.246724 155.6633 6.981784 -3.716019      8.733465 
1 1 1 -19 14 6  o 130.9022 3.791414 843.1292       48.52847 783.1000       89.73376 867.9434       57.69315 125.2259 7.353106 132.6836 4.448517 -7.457703      8.594037 
1 1 1 -19 14 7  o 14.02208 5.795556 2.730367       12.93832 -15.97764      22.31910 12.19914       15.87851 14.75528 6.775908 17.97532 6.714646 -3.220036      9.539361 
1 1 1 -19 14 8  o 75.49319 3.690335 280.8684       27.18704 270.1527       34.78069 297.7000       43.59052 73.85062 4.838112 77.34486 5.800014 -3.494240      7.552979 
1 1 1 -19 14 9  o 103.4985 3.667571 527.3810       37.09640 516.7653       46.81245 545.3000       60.81971 102.2578 4.689393 104.7426 5.956745 -2.484818      7.581109 
1 1 1 -19 14 10 o 41.83040 4.856660 87.50223       19.51626 62.21029       24.93453 127.5000       31.35653 34.64650 7.565062 50.25020 6.529298 -15.60371      9.993092 
1 1 1 -19 14 11 o 54.66816 4.195951 148.0961       22.28120 123.4246       28.38519 187.7000       35.96362 49.53911 5.974277 61.21012 6.082935 -11.67101      8.526082 
1 1 1 -19 14 12 o 84.82870 3.684159 354.7449       30.51761 339.5323       38.35297 381.0000       50.38522 82.78603 4.752969 87.42858 5.922629 -4.642548      7.593962 
1 1 1 -19 14 13 o 41.13764 4.988778 84.88352       19.67812 75.18135       24.48037 102.6000       33.08051 38.28354 6.780967 44.59374 7.866061 -6.310200      10.38540 
1 1 1 -19 14 14 o 26.23085 6.977753 35.62817       18.22663 11.37596       22.54826 81.35000       30.95987 19.82054 7.841989 39.46906 8.278484 -19.64852      11.40307 
1 1 1 -19 14 15 o 128.0571 4.564182 811.6560       57.11863 838.1000       81.31558 785.9000       80.25082 129.4183 6.439289 125.2579 6.568385 4.160469       9.198267 
1 1 1 -19 14 16 o 32.01572 6.183598 52.80848       18.67651 52.44728       22.98709 53.51000       32.03563 31.65953 7.528418 32.02535 9.521499 -0.3658180     12.13820 
1 1 1 -19 14 17 o 16.91125 6.825415 6.756591       17.42856 3.635957       21.49831 12.74000       29.76852 17.70381 7.406304 22.13140 8.924516 -4.427589      11.59743 
1 1 1 -19 14 18 o 146.1096 4.126204 1056.249       58.95225 1049.511       72.88315 1069.000       100.2587 145.2114 5.135758 145.4828 7.061601 -0.2714386     8.731679 
1 1 1 -19 14 19 o 74.14421 3.793257 272.2247       27.43784 245.2959       33.28709 329.3000       48.46096 70.09898 4.881804 80.82578 6.172102 -10.72681      7.869362 
1 1 1 -19 14 20 o 85.36120 4.256068 361.8842       35.44894 360.3000       47.37255 363.9000       53.43856 84.66883 5.750180 84.79236 6.487879 -0.1235275     8.669322 
1 1 1 -19 14 21 o 32.62306 7.171405 56.01621       22.27463 56.01621       22.27463 0.000000       0.000000 32.62306 7.171405 ?        ?        ?              ?        
1 1 1 -19 14 22 o 57.33419 5.275740 165.7735       29.27587 165.7735       29.27587 0.000000       0.000000 57.33419 5.275740 ?        ?        ?              ?        
1 1 1 -19 14 23 o 36.57183 5.430379 68.45566       18.85009 59.78592       22.33039 89.95000       35.16054 33.67767 7.002645 40.75154 9.050250 -7.073879      11.44308 
1 1 1 -19 14 24 o 91.99178 4.222744 421.7214       37.92189 440.4000       51.39502 399.4000       56.18365 93.35831 5.650671 88.42121 6.537776 4.937103       8.641331 
1 1 1 -19 14 25 o 79.32121 3.623958 312.4432       28.06272 328.3000       43.55844 301.1915       36.69235 80.53993 5.559398 77.42944 4.865918 3.110497       7.388103 
1 1 1 -19 14 26 o 87.09409 4.070760 378.3328       34.60726 348.1000       71.41409 387.6115       39.56309 80.50335 9.229527 87.92533 4.613090 -7.421982      10.31818 
1 1 1 -19 14 27 o 45.70976 4.244434 105.0919       18.77349 63.60088       24.22295 167.5027       29.70841 34.45599 7.402932 57.39309 5.349892 -22.93710      9.133715 
1 1 1 -19 14 28 o 67.81226 3.560868 228.8757       23.55297 216.0729       32.34059 243.3356       34.36982 65.31255 5.099159 69.33124 5.100261 -4.018692      7.212080 
1 1 1 -19 14 29 o 66.56620 3.663386 220.9863       23.77743 243.4924       33.88247 199.1481       33.37598 69.32568 5.027309 62.44263 5.517388 6.883049       7.464276 
1 1 1 -19 14 30 o 76.88018 3.500296 294.3647       26.27148 312.8367       37.43389 276.4361       36.87928 78.62406 4.888288 73.76273 5.140022 4.861328       7.093320 
1 1 1 -19 14 31 o 62.49645 3.825911 195.6387       23.29218 233.5600       32.62724 156.2270       33.26218 67.79907 4.950554 54.72819 6.325456 13.07088       8.032395 
1 1 1 -19 14 32 o 19.77797 7.194292 18.00709       18.02418 35.93122       23.22640 -9.127930      28.57774 25.75965 8.191076 17.49463 7.889304 8.265018       11.37255 
1 1 1 -19 14 33 o 34.23617 5.961340 62.16181       19.25179 62.49571       25.69278 61.73432       29.07150 33.43555 7.964670 32.85294 8.845262 0.5826187      11.90271 
1 1 1 -19 14 34 o 37.22796 5.538056 72.85819       19.56692 77.23700       26.19862 67.33441       29.42517 37.40127 7.418296 34.16922 8.758120 3.232052       11.47762 
1 1 1 -19 14 35 o 28.44099 6.822437 44.71937       18.74867 56.93618       24.95983 28.90107       28.40160 31.57633 8.051859 23.97737 8.975490 7.598959       12.05785 
1 1 1 -19 14 36 o 15.77094 6.722928 2.981350       18.26577 -10.73449      24.75493 19.37337       27.06242 15.73814 7.193030 21.59620 8.576257 -5.858059      11.19339 
1 1 1 -19 14 37 o 30.25926 7.071936 51.33590       20.56770 60.00051       29.26339 42.87696       28.91400 31.72166 9.006226 27.17951 9.168451 4.542158       12.85195 
1 1 1 -19 14 38 o 39.80813 6.598628 86.78990       24.81182 124.0891       31.52354 26.06000       40.22411 47.44252 6.998187 24.66427 10.20878 22.77825       12.37715 
1 1 1 -19 14 39 o 21.54156 7.629183 24.40756       20.11927 30.79110       27.75515 17.33913       29.20617 23.99493 8.893981 21.36603 8.756141 2.628904       12.48090 
1 1 1 -19 14 40 o 16.86098 7.202759 4.670077       21.04495 11.33000       30.59854 -1.308290      28.99062 20.46825 8.712572 18.13151 8.078234 2.336740       11.88136 
1 1 1 -19 14 41 o 24.11278 8.983006 32.09480       28.38102 52.50000       37.51865 4.800000       43.39270 28.85441 10.39571 21.91897 9.816124 6.935448       14.29780 
1 1 1 -19 14 42 o 21.15327 7.882274 23.04858       21.85426 -14.83615      30.60753 62.45097       31.21458 16.73145 7.771781 31.49176 9.407393 -14.76031      12.20244 
1 1 1 -19 14 43 o 18.26959 7.503912 11.79881       21.51103 6.893747       30.70486 16.52670       30.14524 19.47398 8.508478 20.93312 8.764627 -1.459139      12.21527 
1 1 1 -19 14 44 o 24.37863 7.909639 35.19377       21.58117 45.58138       30.77524 25.14326       30.27176 26.91030 9.443824 22.45391 9.018827 4.456390       13.05852 
1 1 1 -19 14 45 o 29.50272 7.628530 51.82634       22.19149 57.64133       31.45994 46.06752       31.30764 29.79203 9.539538 26.97534 9.520299 2.816692       13.47735 
1 1 1 -19 14 46 o 40.33177 6.244126 90.58045       23.85454 72.04699       33.85548 108.8533       33.61663 32.94236 9.786741 42.32915 8.409978 -9.386791      12.90380 
1 1 1 -19 14 47 o 34.88334 7.129152 70.71091       23.51949 69.12985       33.90658 72.17712       32.65203 32.13237 9.848985 33.14094 9.547116 -1.008575      13.71678 
1 1 1 -19 14 48 o 23.45734 8.123911 32.59557       22.73248 10.05723       32.61721 53.88360       31.69958 20.08857 8.773372 28.60839 9.599655 -8.519819      13.00482 
1 1 1 -19 14 49 o 19.83904 7.961845 18.09963       23.57111 4.322001       32.46834 33.45235       34.27407 19.18657 8.548627 24.10010 9.624864 -4.913532      12.87311 
1 1 1 -19 14 50 o 18.61517 7.772460 12.41672       23.60799 33.97263       33.96909 -7.721886      32.83336 24.10912 9.597329 17.72674 8.168776 6.382387       12.60308 
1 1 1 -19 14 51 o 15.35886 7.142192 -11.81436      25.96155 -72.72000      43.31065 22.34289       32.43452 15.22205 7.558821 21.72673 9.093737 -6.504683      11.82505 
1 1 1 -19 14 52 o 25.62937 9.104692 43.24231       28.67318 47.57000       54.51328 41.58706       33.71357 26.32677 11.42173 25.13662 9.690930 1.190151       14.97898 
1 1 1 -19 14 53 o 20.82562 8.577434 22.06160       28.20747 17.30000       52.13519 24.03236       33.54065 22.70509 10.40036 21.73381 9.180837 0.9712753      13.87282 
1 1 1 -19 15 1  o 163.4742 3.698666 1313.954       59.18347 1254.938       84.84180 1369.891       82.59938 159.2411 5.451163 166.5045 5.074014 -7.263397      7.447201 
1 1 1 -19 15 2  o 91.66597 3.004197 412.9358       26.91881 382.3636       41.76820 434.6556       35.20545 87.90398 4.873423 93.92815 3.837278 -6.024170      6.202818 
1 1 1 -19 15 3  o 113.6912 3.692731 636.2151       41.03970 613.0722       51.75899 675.4000       67.34974 111.3923 4.758016 116.6318 5.918815 -5.239517      7.594148 
1 1 1 -19 15 4  o 54.88532 3.653337 148.7595       19.51518 184.2000       51.04961 142.6940       21.11925 59.91195 8.981543 53.69413 4.048144 6.217815       9.851679 
1 1 1 -19 15 5  o 27.96704 5.202176 39.85730       13.71692 -1.487916      23.87928 60.21830       16.75747 17.69634 7.617954 34.55740 5.107754 -16.86106      9.171824 
1 1 1 -19 15 6  o 100.2219 3.063096 493.7101       30.01368 439.2027       44.60423 538.8104       40.57307 94.20959 4.853343 104.5535 3.971766 -10.34387      6.271353 
1 1 1 -19 15 7  o 110.8607 3.126402 604.1497       33.89182 550.4141       49.61065 651.1749       46.40984 105.4888 4.817371 114.9118 4.132826 -9.422989      6.347229 
1 1 1 -19 15 8  o 45.58022 3.705249 102.8747       16.38858 88.68349       26.89618 111.2551       20.66868 41.68567 6.827874 47.28377 4.520730 -5.598099      8.188825 
1 1 1 -19 15 9  o 82.63707 3.034638 335.8745       24.50472 332.5035       37.98895 338.2766       32.06830 81.92629 4.757735 82.78782 3.968900 -0.8615265     6.195822 
1 1 1 -19 15 10 o 20.70124 7.105217 19.67596       17.37501 13.79353       22.72139 27.96000       26.96357 20.47137 7.938604 24.99003 8.833755 -4.518660      11.87673 
1 1 1 -19 15 11 o 141.5718 4.025979 988.5943       55.73312 984.2753       69.30461 996.5000       93.76508 140.9551 5.031209 141.1252 6.807901 -0.1701355     8.465257 
1 1 1 -19 15 12 o 98.87094 3.688332 482.0681       35.63222 455.0376       44.22225 532.1000       60.16399 95.82027 4.729567 103.2618 5.977937 -7.441528      7.622633 
1 1 1 -19 15 13 o 68.44653 3.866680 231.6613       25.80038 206.1276       32.01102 279.0000       43.58636 64.29422 5.129020 74.62362 6.018170 -10.32940      7.907289 
1 1 1 -19 15 14 o 48.46990 4.508950 117.1542       21.14678 105.0908       26.38955 138.8000       35.34950 45.52982 6.072772 52.13728 7.111949 -6.607460      9.351919 
1 1 1 -19 15 15 o 37.68812 5.504717 72.07490       19.70790 58.10419       24.50147 97.68000       33.17005 33.28938 7.676222 43.25978 8.131947 -9.970402      11.18271 
1 1 1 -19 15 16 o 47.78130 4.547838 114.0616       21.01388 119.7733       26.50731 104.4000       34.47518 48.70819 5.665382 44.69775 8.181181 4.010437       9.951296 
1 1 1 -19 15 17 o 15.57800 6.609263 1.097217       17.50920 19.06759       21.68544 -32.56000      29.67759 21.39959 7.874053 15.56726 7.363285 5.832332       10.78048 
1 1 1 -19 15 18 o 62.59210 4.129405 194.7144       25.15823 186.2350       31.36954 210.0000       42.11780 60.90213 5.315436 64.20323 6.805481 -3.301102      8.635302 
1 1 1 -19 15 19 o 75.57401 4.906826 285.3853       36.10149 285.3853       36.10149 0.000000       0.000000 75.57401 4.906826 ?        ?        ?              ?        
1 1 1 -19 15 20 o 12.55817 5.973808 -24.41930      20.08102 -24.41930      20.08102 0.000000       0.000000 12.55817 5.973808 ?        ?        ?              ?        
1 1 1 -19 15 21 o 64.23378 5.007220 207.2752       31.23374 207.2752       31.23374 0.000000       0.000000 64.23378 5.007220 ?        ?        ?              ?        
1 1 1 -19 15 22 o 80.12656 3.809870 318.8922       29.79525 290.9660       36.58483 373.9000       51.34614 76.14915 4.934861 85.79782 6.154891 -9.648674      7.888950 
1 1 1 -19 15 23 o 72.15777 4.334363 260.1120       30.47249 247.6000       40.41316 276.6000       46.39207 69.75993 5.975999 73.50085 6.515735 -3.740921      8.841230 
1 1 1 -19 15 24 o 72.52564 4.335883 263.0075       30.63995 221.4000       39.15887 328.7000       49.20419 65.80668 6.150555 80.19263 6.319503 -14.38595      8.818472 
1 1 1 -19 15 25 o 80.00507 5.250409 323.4393       40.88934 387.0000       70.12753 290.7000       50.33023 85.46830 8.494901 74.95598 6.938622 10.51232       10.96849 
1 1 1 -19 15 26 f 72.27864 3.943577 260.7396       27.79445 229.9635       33.44860 329.4000       49.96017 67.42009 5.106507 80.03336 6.431550 -12.61327      8.212262 
1 1 1 -19 15 27 o 34.77168 5.370653 62.37464       17.69101 81.27499       24.02150 39.97340       26.15177 39.39370 6.452918 27.39747 8.689215 11.99623       10.82324 
1 1 1 -19 15 28 o 56.05684 3.787606 157.1071       20.66057 111.2932       27.54978 215.9876       31.23241 46.26254 6.243107 65.32199 4.920905 -19.05945      7.949320 
1 1 1 -19 15 29 o 21.24829 7.059792 22.76923       17.15138 16.01682       22.86618 31.45493       25.93383 20.49612 7.959522 24.93976 8.674898 -4.443644      11.77318 
1 1 1 -19 15 30 o 55.63322 4.083921 155.6440       22.08416 172.9216       30.97731 137.7869       31.49249 58.03481 5.519542 51.33313 6.406712 6.701675       8.456436 
1 1 1 -19 15 31 o 43.79176 4.938138 98.34502       20.79844 111.0908       28.30080 83.37727       30.66856 45.86242 6.485002 38.71849 8.338875 7.143929       10.56372 
1 1 1 -19 15 32 f 13.07565 6.025807 -11.62163      17.86965 -25.52594      23.71517 6.643548       27.18087 13.70095 6.510116 19.46688 8.245925 -5.765934      10.50604 
1 1 1 -19 15 33 o 41.21026 5.120135 88.10325       20.20939 72.80909       27.56015 105.8921       29.72303 35.99191 8.027400 44.16221 7.117921 -8.170296      10.72865 
1 1 1 -19 15 34 o 60.42843 4.041412 185.1543       23.76714 217.5329       34.04458 154.3713       33.19513 64.64353 5.430585 53.73958 6.438672 10.90395       8.423049 
1 1 1 -19 15 35 o 58.01740 4.127141 171.2289       23.28460 201.7018       33.99312 144.2927       31.95967 61.99053 5.664749 51.85685 6.434320 10.13367       8.572622 
1 1 1 -19 15 36 o 44.45193 5.041227 103.0649       21.54792 129.2007       30.72358 77.76345       30.22917 48.82702 6.597060 36.46174 8.608816 12.36528       10.84587 
1 1 1 -19 15 37 o 17.50763 7.339653 7.115163       21.18065 10.92078       25.79441 -0.7622000     37.11110 19.49021 8.130097 20.35981 9.100760 -0.8695984     12.20337 
1 1 1 -19 15 38 o 29.45467 7.123335 49.06041       20.31027 37.70402       27.59474 62.48474       30.00215 25.69053 8.947621 32.14136 9.117121 -6.450836      12.77426 
1 1 1 -19 15 39 o 10.50445 5.172707 -36.03207      18.81087 -37.83724      25.52853 -33.88757      27.82472 12.94309 6.299117 14.07038 6.782100 -1.127292      9.256120 
1 1 1 -19 15 40 o 26.26694 9.361570 40.71341       30.33698 0.000000       0.000000 40.71341       30.33698 ?        ?        26.26694 9.361570 ?              ?        
1 1 1 -19 15 41 o 21.84333 7.959216 25.40429       22.07407 12.81000       30.98655 38.38107       31.45358 20.66477 8.780885 25.67313 9.476707 -5.008360      12.91944 
1 1 1 -19 15 42 o 19.39588 8.065945 12.97953       25.27617 -12.72793      30.22168 72.82000       46.10909 16.79677 7.774531 32.09471 11.52941 -15.29794      13.90578 
1 1 1 -19 15 43 o 41.91801 5.745734 95.57876       22.95530 122.8088       32.83219 69.53779       32.10734 46.04876 7.545177 32.85437 9.467947 13.19439       12.10668 
1 1 1 -19 15 44 o 21.10411 7.839444 23.87004       21.58521 47.94870       30.87140 0.8393620      30.19212 27.39588 9.468187 18.36544 8.209018 9.030437       12.53134 
1 1 1 -19 15 45 o 27.54716 7.871007 45.74075       22.28074 16.45143       31.97320 73.39128       31.06585 21.09803 8.940397 33.95924 9.143849 -12.86120      12.78830 
1 1 1 -19 15 46 o 21.64461 7.993189 25.83396       22.38093 22.31719       31.82478 29.27513       31.48087 21.98884 9.089020 23.24212 9.243410 -1.253281      12.96344 
1 1 1 -19 15 47 o 37.14738 6.838190 79.08691       23.94834 85.80423       34.64386 72.93932       33.14216 36.13282 9.623755 33.18863 9.635860 2.944199       13.61861 
1 1 1 -19 15 48 o 34.73181 7.487327 71.43307       24.70387 116.6823       35.00578 26.54009       34.86771 43.63069 8.502448 22.98484 9.508388 20.64585       12.75543 
1 1 1 -19 15 49 o 15.40943 7.024352 -6.071321      23.40835 15.28816       32.93430 -27.87788      33.27719 20.79734 8.949606 15.82105 7.571019 4.976288       11.72245 
1 1 1 -19 15 50 o 27.09513 8.775175 47.03391       26.56974 54.76000       44.67872 42.80660       33.04862 27.85003 11.03244 25.76594 9.674268 2.084093       14.67332 
1 1 1 -19 15 51 o 25.75242 8.339714 42.04929       23.99842 59.19583       34.83289 26.55663       33.11039 28.96683 10.05496 22.41696 9.268839 6.549868       13.67529 
1 1 1 -19 15 52 o 26.61736 8.432812 46.08835       24.63688 58.80389       36.20339 35.12072       33.62315 28.36672 10.21291 23.72360 9.513170 4.643120       13.95722 
1 1 1 -19 15 53 o 32.33531 8.805536 70.05146       28.61625 37.03702       36.70766 121.2000       45.69002 23.90482 9.808721 39.30415 11.28445 -15.39933      14.95159 
1 1 1 -19 16 1  o 152.1168 3.542193 1137.967       52.74189 1092.630       76.24332 1179.570       73.03658 148.5377 5.252219 154.4777 4.836195 -5.939957      7.139649 
1 1 1 -19 16 2  o 51.49133 4.368542 131.6356       21.81032 107.8624       29.36188 160.9000       32.57696 46.09209 6.704466 56.64948 5.964397 -10.55739      8.973511 
1 1 1 -19 16 3  o 50.86738 3.825040 128.0627       18.90552 88.05000       51.39622 134.3238       20.33092 40.83722 12.03959 52.07320 4.019846 -11.23598      12.69295 
1 1 1 -19 16 4  o 80.38947 2.965279 317.8039       23.29303 271.9540       36.37546 349.6721       30.32619 74.00552 5.051847 84.22177 3.687577 -10.21626      6.254550 
1 1 1 -19 16 5  o 49.91964 3.336900 123.0428       16.21137 98.87643       27.22291 136.3220       20.17966 44.13059 6.496326 52.46646 3.958598 -8.335865      7.607414 
1 1 1 -19 16 6  o 67.87887 3.058402 226.8185       20.26835 207.9638       32.48375 238.8386       25.93648 64.63148 5.177990 69.54602 3.824792 -4.914536      6.437439 
1 1 1 -19 16 7  o 28.88368 5.086687 42.45598       13.85606 28.83824       23.87204 49.37471       17.01571 24.66698 8.330791 31.05798 5.810742 -6.390999      10.15711 
1 1 1 -19 16 8  o 81.77995 3.038748 329.0898       24.28241 297.9898       37.60249 351.3358       31.80259 77.45430 4.986298 84.36547 3.861398 -6.911171      6.306629 
1 1 1 -19 16 9  o 98.73168 3.063464 479.5738       29.56990 431.3079       43.76682 520.1083       40.10855 93.26546 4.810473 102.6383 3.999942 -9.372803      6.256212 
1 1 1 -19 16 10 o 63.21007 3.170645 196.9658       19.55470 147.0113       29.95213 234.0755       25.81567 54.09572 5.744354 68.81075 3.848172 -14.71503      6.914190 
1 1 1 -19 16 11 o 53.39497 3.449455 140.9321       17.93192 134.7253       28.44115 145.0273       23.10233 51.75149 5.709373 54.00137 4.408979 -2.249874      7.213600 
1 1 1 -19 16 12 o 51.99205 4.402231 134.5660       22.19313 119.5666       27.96182 160.1000       36.48281 48.62338 6.002379 56.14693 6.775092 -7.523556      9.051542 
1 1 1 -19 16 13 o 29.74968 6.610304 46.02384       18.74927 50.88943       23.67564 37.84000       30.70522 31.13378 7.789021 27.89462 9.448042 3.239162       12.24477 
1 1 1 -19 16 14 o 110.1014 3.773601 598.8775       40.60809 560.8473       50.03146 672.3000       69.51740 106.2280 4.824286 115.7828 6.156121 -9.554794      7.821225 
1 1 1 -19 16 15 f 59.23247 4.116992 174.3119       23.72109 137.5029       29.02156 248.4000       41.17347 52.17220 5.779803 70.21224 6.049934 -18.04005      8.367067 
1 1 1 -19 16 16 o 39.14704 5.501009 77.87862       20.49815 76.99880       25.81474 79.38000       33.72211 38.47527 7.116625 38.52660 9.090089 -0.5132675E-01 11.54453 
1 1 1 -19 16 17 o 42.96459 5.056371 93.12083       20.85786 92.42387       25.88921 94.41000       35.21025 42.42018 6.436919 42.10976 8.825190 0.3104248      10.92327 
1 1 1 -19 16 18 o 55.64462 5.462306 156.2438       29.36829 156.2438       29.36829 0.000000       0.000000 55.64462 5.462306 ?        ?        ?              ?        
1 1 1 -19 16 19 o 89.49256 4.724388 399.9208       41.23799 399.9208       41.23799 0.000000       0.000000 89.49256 4.724388 ?        ?        ?              ?        
1 1 1 -19 16 20 o 37.19334 5.906349 71.25497       20.78461 81.76629       25.54590 50.67000       35.74930 39.59516 6.838496 31.05947 10.18697 8.535692       12.26945 
1 1 1 -19 16 21 o 41.13041 5.297422 86.13942       20.83249 73.29235       25.67432 110.9000       35.64325 37.25496 7.301765 45.64062 8.283449 -8.385662      11.04225 
1 1 1 -19 16 22 o 89.94795 4.318464 403.7696       37.91021 356.8000       50.30618 465.5000       57.67169 83.69112 6.184649 95.64104 6.193755 -11.94993      8.752855 
1 1 1 -19 16 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 16 24 o 24.05553 7.302815 30.28808       18.70061 10.68717       22.61946 72.62000       33.24130 19.33367 7.785378 36.23854 9.319296 -16.90488      12.14337 
1 1 1 -19 16 25 o 45.99428 4.940688 107.4235       21.89490 106.6171       27.22518 108.9000       36.83913 45.31805 6.308291 44.72052 8.729226 0.5975380      10.77005 
1 1 1 -19 16 26 o 50.90271 4.679893 130.9811       23.05678 109.6490       27.98143 176.1000       40.69425 45.89547 6.402685 57.85353 7.351980 -11.95806      9.749153 
1 1 1 -19 16 27 o 75.00098 3.956930 281.2284       28.94625 259.5595       35.14854 326.9000       51.02840 71.57188 5.049582 79.42235 6.624179 -7.850464      8.329347 
1 1 1 -19 16 28 o 54.38012 4.076035 148.5699       21.53836 107.1483       29.62826 194.9917       31.36561 44.99599 6.950804 61.85186 5.229741 -16.85587      8.698498 
1 1 1 -19 16 29 o 46.38750 4.562482 109.2073       20.44832 126.7900       29.07853 92.00692       28.76068 49.33509 6.155096 41.37542 7.371840 7.959671       9.603605 
1 1 1 -19 16 30 o 24.24434 7.231491 31.64920       18.45557 36.31504       25.04729 26.10719       27.29793 25.98269 8.527186 23.61639 8.807604 2.366293       12.25915 
1 1 1 -19 16 31 o 16.88365 6.892726 7.511461       18.01210 7.453544       23.90369 7.587551       27.39834 18.69936 7.815279 19.70127 8.308694 -1.001909      11.40671 
1 1 1 -19 16 32 o 48.83651 4.511933 121.8135       21.32444 134.9342       29.49983 107.4542       30.86080 50.59785 6.077893 44.35874 7.365811 6.239113       9.549657 
1 1 1 -19 16 33 o 21.89926 7.315736 25.39536       18.41265 17.34466       24.83530 35.22159       27.43760 20.80007 8.229914 25.42322 8.917406 -4.623152      12.13473 
1 1 1 -19 16 34 o 31.12032 6.626359 53.16941       19.56551 53.26442       27.43472 53.07109       27.91105 30.20078 8.766581 30.11158 8.870887 0.8919907E-01  12.47179 
1 1 1 -19 16 35 o 15.36233 6.633748 1.255708       18.21705 0.8413063      24.86634 1.735766       26.76379 17.48941 7.648809 18.18867 7.945364 -0.6992626     11.02874 
1 1 1 -19 16 36 o 43.34539 5.889647 100.4058       24.34256 132.2229       30.70341 46.56000       39.94226 49.39219 6.508975 28.26386 10.63053 21.12833       12.46495 
1 1 1 -19 16 37 o 27.46923 7.493438 43.17492       20.70247 39.59328       28.89033 46.95531       29.68112 26.21289 9.153588 28.06569 9.285856 -1.852802      13.03899 
1 1 1 -19 16 38 o 25.23352 8.808825 36.36607       26.75384 32.45000       33.78610 42.95000       43.80822 24.86738 9.670116 27.54999 10.92098 -2.682613      14.58694 
1 1 1 -19 16 39 o 31.94525 9.184524 62.83222       30.24711 0.000000       0.000000 62.83222       30.24711 ?        ?        31.94525 9.184524 ?              ?        
1 1 1 -19 16 40 o 26.45920 7.745863 40.99826       21.33774 82.10107       30.58136 2.004136       29.78658 36.92740 8.618481 18.70692 8.269195 18.22048       11.94394 
1 1 1 -19 16 41 o 26.35437 7.947058 41.21202       22.19798 83.11298       31.72484 1.021006       31.07076 36.76052 8.910646 18.78629 8.366934 17.97423       12.22314 
1 1 1 -19 16 42 o 31.80534 7.052428 58.40389       21.37961 74.50877       30.36436 42.56985       30.10794 34.52124 8.921966 26.24142 9.328930 8.279823       12.90854 
1 1 1 -19 16 43 o 21.51077 8.283776 24.12020       24.61413 26.41463       29.37337 18.71000       45.10483 22.54809 8.941148 23.26447 10.23404 -0.7163773     13.58969 
1 1 1 -19 16 44 o 28.60636 7.573825 48.72568       21.53778 63.40297       30.09196 33.30978       30.83984 31.45505 9.195859 24.09866 9.274477 7.356394       13.06062 
1 1 1 -19 16 45 o 16.33713 7.110346 3.167536       21.26603 22.91028       30.16542 -16.33949      29.98480 21.85679 8.921123 16.14596 7.563148 5.710833       11.69562 
1 1 1 -19 16 46 o 19.54161 7.737718 17.79334       21.96863 11.34222       31.34526 24.02142       30.79861 20.03268 8.676127 22.09900 9.016428 -2.066313      12.51284 
1 1 1 -19 16 47 o 18.33458 7.663216 11.40527       22.98430 17.92694       31.45702 3.936145       33.66458 21.09012 8.899088 19.40523 8.671404 1.684893       12.42526 
1 1 1 -19 16 48 o 21.95004 8.621274 25.86544       27.07534 31.41718       32.53090 13.35000       48.84325 23.53833 9.384756 22.75145 10.28190 0.7868748      13.92089 
1 1 1 -19 16 49 o 36.86114 7.890723 82.28954       27.61106 148.4000       46.62716 46.58797       34.26475 46.63287 10.47194 26.57182 9.875875 20.06105       14.39425 
1 1 1 -19 16 50 o 21.98209 8.200793 27.94001       23.66990 27.52892       34.00969 28.32619       32.96341 22.72460 9.394749 22.77256 9.313952 -0.4796219E-01 13.22917 
1 1 1 -19 16 51 o 16.31090 7.254019 1.305153       23.26912 3.866402       33.67684 -1.034723      32.18859 18.99645 8.565621 18.09439 8.243947 0.9020576      11.88834 
1 1 1 -19 16 52 o 19.50732 7.936413 18.46640       23.78090 31.90390       34.13943 5.800209       33.14515 23.04865 9.458606 18.99117 8.536094 4.057476       12.74088 
1 1 1 -19 17 1  o 81.34146 3.505163 326.1920       27.84235 251.2000       65.55751 342.6950       30.75369 69.52788 9.913341 83.32861 3.780329 -13.80073      10.60968 
1 1 1 -19 17 2  o 108.0957 3.631014 575.8873       38.36415 563.4075       49.85875 594.0000       60.06609 106.6414 4.788713 109.2521 5.635906 -2.610710      7.395621 
1 1 1 -19 17 3  o 39.88980 3.870039 79.12352       14.92101 63.34192       27.03905 86.03353       17.89186 34.79597 8.092241 41.50584 4.474545 -6.709873      9.246942 
1 1 1 -19 17 4  o 64.90927 3.096546 207.5723       19.61717 170.4240       32.16613 229.5719       24.75348 58.30980 5.708811 68.17274 3.723672 -9.862946      6.815882 
1 1 1 -19 17 5  o 49.47759 3.389543 121.0090       16.31641 85.38808       27.33606 140.7232       20.33632 40.73890 7.113919 53.28900 3.926349 -12.55009      8.125519 
1 1 1 -19 17 6  o 93.58865 3.039666 431.0078       27.80858 378.6656       41.90998 472.1795       37.16986 87.32326 4.923159 97.79503 3.890770 -10.47177      6.274997 
1 1 1 -19 17 7  o 75.62318 3.254222 281.8502       24.03204 277.3000       44.78209 283.6906       28.48044 74.33038 6.211799 75.76470 3.853025 -1.434319      7.309737 
1 1 1 -19 17 8  o 100.6296 3.045351 498.3734       29.96189 491.5944       45.76175 503.4599       39.63962 99.55708 4.709307 100.9343 4.020261 -1.377190      6.191936 
1 1 1 -19 17 9  o 87.45050 3.291655 376.9420       28.12593 366.2000       50.59642 381.7458       33.83541 85.46723 6.087889 87.87252 3.943849 -2.405289      7.253712 
1 1 1 -19 17 10 o 114.6323 3.190117 647.1912       35.75999 573.0964       51.55400 715.8990       49.64457 107.3957 4.917261 120.2874 4.222987 -12.89168      6.481750 
1 1 1 -19 17 11 o 76.72240 3.055025 290.0661       22.89676 263.1556       34.97309 310.2535       30.29104 72.66234 4.946702 79.17957 3.920556 -6.517227      6.311943 
1 1 1 -19 17 12 o 46.90701 3.629786 109.1603       16.53618 92.90786       26.30009 119.7859       21.26545 42.58488 6.516432 48.98297 4.485028 -6.398090      7.910712 
1 1 1 -19 17 13 o 51.63957 4.433344 133.0452       22.19223 132.0700       28.30922 134.6000       35.74442 51.11805 5.757838 51.11818 7.355216 -0.1296997E-03 9.340872 
1 1 1 -19 17 14 o 56.90112 4.249602 161.1987       23.49781 124.6675       29.12614 229.3000       39.76755 49.51110 6.141597 67.37540 6.095944 -17.86430      8.653308 
1 1 1 -19 17 15 o 49.17534 4.523656 120.9766       21.53043 124.9914       27.02437 114.0000       35.62463 49.69532 5.656182 46.64188 8.096636 3.053440       9.876635 
1 1 1 -19 17 16 o 67.55610 3.963370 226.6600       26.09296 218.9835       32.57649 240.4000       43.58288 66.09113 5.074461 68.73653 6.557080 -2.645401      8.291287 
1 1 1 -19 17 17 o 47.15355 6.022045 113.5118       27.16141 113.5118       27.16141 0.000000       0.000000 47.15355 6.022045 ?        ?        ?              ?        
1 1 1 -19 17 18 o 43.15169 6.421663 96.07127       26.29862 96.07127       26.29862 0.000000       0.000000 43.15169 6.421663 ?        ?        ?              ?        
1 1 1 -19 17 19 o 19.17853 7.243717 14.37576       18.58939 13.34164       22.81172 16.42000       32.07310 20.09774 7.907452 23.12254 9.284706 -3.024807      12.19564 
1 1 1 -19 17 20 o 24.42761 7.403800 31.05117       19.23207 21.82306       23.92095 47.92000       32.34182 22.41655 8.266200 30.09067 9.675987 -7.674126      12.72615 
1 1 1 -19 17 21 f 49.60163 5.103137 124.6169       24.42337 119.4000       31.99658 131.9000       37.80530 47.82964 7.045198 49.88660 8.013461 -2.056969      10.67007 
1 1 1 -19 17 22 o 13.52904 6.220735 -12.68289      18.89460 -21.20000      23.34931 3.475000       32.16029 14.25532 6.676404 20.77169 8.889429 -6.516370      11.11739 
1 1 1 -19 17 23 o 38.93847 5.595915 78.05998       20.71643 65.12059       25.44516 103.5000       35.67855 34.79803 7.676727 43.65747 8.655046 -8.859436      11.56901 
1 1 1 -19 17 24 o 42.94949 5.194039 94.21348       21.39279 94.58243       26.99015 93.59000       35.08611 42.46463 6.716533 41.25922 8.946056 1.205406       11.18677 
1 1 1 -19 17 25 o 104.4436 3.869733 543.8094       39.49277 527.3276       49.33886 573.2000       65.88567 102.2585 4.943927 105.5827 6.405306 -3.324142      8.091375 
1 1 1 -19 17 26 o 50.70181 4.738135 130.2832       23.24226 135.4995       28.99156 120.9000       38.88361 51.25203 5.885712 46.96342 8.781403 4.288609       10.57141 
1 1 1 -19 17 27 o 102.8345 5.109577 536.1544       51.27053 477.9000       78.97077 578.6000       67.40903 94.07289 8.673820 105.6765 6.548967 -11.60359      10.86849 
1 1 1 -19 17 28 o 38.17232 6.217845 76.65243       22.43351 52.51597       27.32137 126.6000       39.30274 30.71526 8.696098 47.92013 8.699431 -17.20486      12.30050 
1 1 1 -19 17 29 o 43.00496 5.705004 96.28503       23.42307 61.11233       28.23592 173.9000       41.94418 32.93996 8.648696 56.73850 7.755201 -23.79854      11.61650 
1 1 1 -19 17 30 o 34.41137 5.955245 62.71428       19.33304 51.75919       26.82045 74.56325       27.89318 30.24293 8.633924 36.59904 8.009129 -6.356115      11.77671 
1 1 1 -19 17 31 o 19.47628 7.214538 17.24658       18.25761 2.613293       24.71181 34.83506       27.09241 17.95261 7.739133 25.47362 8.866194 -7.521008      11.76875 
1 1 1 -19 17 32 o 13.69029 6.208523 -7.628366      17.99494 -11.09379      24.15402 -3.305675      26.97668 15.53172 7.101151 17.58510 7.816230 -2.053383      10.56029 
1 1 1 -19 17 33 o 30.73307 6.961553 52.42387       20.45463 64.31522       29.56990 41.51295       28.32468 33.04930 8.930546 26.97813 9.074449 6.071171       12.73186 
1 1 1 -19 17 34 f 18.11708 7.124982 12.72579       18.51327 10.59596       25.76024 15.00094       26.62458 19.48663 8.126357 20.54819 8.383392 -1.061558      11.67557 
1 1 1 -19 17 35 o 20.96367 7.782380 21.53864       21.26587 38.99105       26.70106 -8.735000      35.16682 26.08390 8.810605 18.94017 8.624488 7.143734       12.32917 
1 1 1 -19 17 36 o 19.71742 7.438717 18.17489       19.59091 -30.63719      26.78641 74.31459       28.72671 14.06337 6.746542 35.59871 8.383525 -21.53534      10.76101 
1 1 1 -19 17 37 f 33.57902 8.252373 66.29033       26.92770 50.48000       33.55933 94.87000       45.12025 28.74210 9.874312 37.65094 11.32497 -8.908844      15.02521 
1 1 1 -19 17 38 o 16.16530 7.478139 -13.62009      27.90447 0.000000       0.000000 -13.62009      27.90447 ?        ?        16.16530 7.478139 ?              ?        
1 1 1 -19 17 39 o 13.82282 6.351073 -9.695083      19.64388 -13.02695      27.46005 -6.202943      28.11273 16.04704 7.421641 17.11214 7.760218 -1.065105      10.73786 
1 1 1 -19 17 40 o 39.67765 5.863486 85.55872       22.08733 84.21399       31.42332 86.87189       31.05239 37.17306 8.777503 37.96158 8.561628 -0.7885170     12.26157 
1 1 1 -19 17 41 o 34.56329 6.503055 67.12700       21.19359 74.39027       29.66657 59.55645       30.28761 34.68769 8.742005 30.55348 9.297586 4.134218       12.76197 
1 1 1 -19 17 42 o 25.50974 7.591525 38.63675       20.35721 32.24358       28.07638 45.72330       29.55974 23.71464 8.914147 26.94441 9.266859 -3.229778      12.85833 
1 1 1 -19 17 43 o 17.43741 7.244748 9.730442       20.36436 -10.79725      28.30654 31.75325       29.31927 16.34822 7.551819 23.62487 9.055518 -7.276644      11.79120 
1 1 1 -19 17 44 o 18.18424 7.824722 7.656237       25.17305 6.887068       30.29454 9.372000       45.24621 19.19907 8.418276 22.09198 9.947866 -2.892912      13.03179 
1 1 1 -19 17 45 o 23.96272 8.100780 34.37114       22.57215 14.79005       32.57986 52.44647       31.30214 20.79946 8.925173 28.29304 9.539568 -7.493578      13.06377 
1 1 1 -19 17 46 f 16.60231 7.259995 3.019771       22.39677 11.90414       31.67351 -5.864947      31.67413 20.15848 8.726038 17.73395 8.116982 2.424526       11.91760 
1 1 1 -19 17 47 o 14.43891 6.858690 -21.67440      26.28334 -20.63594      31.80733 -23.91000      46.66896 16.13707 7.629846 19.12717 9.100984 -2.990101      11.87613 
1 1 1 -19 17 48 o 20.20843 8.231292 18.70449       25.61662 38.83000       42.10179 6.874338       32.27916 25.27512 10.45135 19.40596 8.591763 5.869164       13.52957 
1 1 1 -19 17 49 o 35.07945 7.357435 73.21793       24.45507 77.37572       35.32405 69.39088       33.88990 33.38937 10.01529 31.71370 9.868509 1.675669       14.06035 
1 1 1 -19 17 50 o 16.09086 7.180327 0.1777716      22.99788 -34.65770      33.03864 32.92387       32.03252 15.03960 7.283532 23.42665 9.321679 -8.387052      11.82977 
1 1 1 -19 17 51 o 23.00295 8.253862 33.01333       23.62369 45.26206       33.95383 21.52049       32.88948 25.60623 9.762204 21.24873 9.038397 4.357496       13.30388 
1 1 1 -19 17 52 f 22.20838 8.597383 30.30791       26.61434 11.57156       33.93681 60.24000       42.89404 19.73468 8.769498 27.57397 10.84493 -7.839296      13.94692 
1 1 1 -19 18 1  o 92.00086 3.045868 416.7065       27.39113 375.3513       42.89651 445.1767       35.59192 86.85189 5.067892 94.93272 3.838182 -8.080833      6.357293 
1 1 1 -19 18 2  o 110.0963 3.444402 597.4911       37.07304 581.4000       67.93223 604.3161       44.24215 107.6333 6.477953 110.5614 4.095222 -2.928154      7.663858 
1 1 1 -19 18 3  o 70.63852 3.677759 246.6025       25.34153 192.4881       34.36572 311.1000       37.51807 61.92768 5.734489 79.09021 4.869930 -17.16253      7.523336 
1 1 1 -19 18 4  o 91.70119 3.311356 414.4950       29.67382 453.2000       56.51385 399.7621       34.86698 95.10295 6.103137 89.91421 3.971482 5.188744       7.281549 
1 1 1 -19 18 5  o 55.73673 3.244491 153.4179       17.62433 144.3158       29.71357 158.3582       21.89090 53.53019 5.761480 56.50331 3.983603 -2.973118      7.004552 
1 1 1 -19 18 6  o 13.35904 5.509876 2.755768       11.66107 1.045204       22.35442 3.395246       13.66805 17.49966 7.447876 14.48679 5.969122 3.012866       9.544699 
1 1 1 -19 18 7  o 46.50212 3.539775 107.1873       15.99113 85.51467       26.83002 119.1280       19.91492 40.71409 6.983716 48.91806 4.199742 -8.203964      8.149240 
1 1 1 -19 18 8  o 73.98541 3.045358 269.7934       22.00702 240.9417       34.88454 288.8661       28.36313 69.44283 5.169229 76.41251 3.804094 -6.969688      6.418104 
1 1 1 -19 18 9  o 73.08339 3.054200 263.3224       21.80038 233.1210       34.07036 284.2601       28.36786 68.29341 5.134325 75.78194 3.836808 -7.488533      6.409554 
1 1 1 -19 18 10 o 38.72754 4.106455 74.97865       15.32964 108.5042       26.22729 57.58208       18.89284 46.22796 5.932787 33.45414 5.989489 12.77383       8.430418 
1 1 1 -19 18 11 o 34.43062 4.565973 59.78492       15.00912 62.05172       25.30226 58.55424       18.64346 34.31310 7.720669 33.76206 5.853509 0.5510406      9.688772 
1 1 1 -19 18 12 o 44.18814 3.799178 97.18108       16.27305 96.23144       26.72401 97.74072       20.51508 43.29094 6.507831 44.09225 4.832481 -0.8013191     8.105845 
1 1 1 -19 18 13 o 23.03621 6.295756 27.55625       14.59789 7.861881       23.37484 40.14861       18.69094 19.15569 7.839911 27.65303 6.922053 -8.497341      10.45844 
1 1 1 -19 18 14 o 109.4704 3.193608 591.4070       34.18377 590.5267       51.34866 592.1078       45.81031 108.8095 4.833271 109.1704 4.295368 -0.3609161     6.466119 
1 1 1 -19 18 15 o 59.00245 4.324885 173.7434       24.80408 180.7343       30.99829 161.3000       41.35629 59.88456 5.344413 55.64198 7.807890 4.242577       9.461813 
1 1 1 -19 18 16 f 96.04160 4.923862 461.6380       46.13382 461.6380       46.13382 0.000000       0.000000 96.04160 4.923862 ?        ?        ?              ?        
1 1 1 -19 18 17 o 14.83404 6.733072 -10.96842      21.22039 -10.96842      21.22039 0.000000       0.000000 14.83404 6.733072 ?        ?        ?              ?        
1 1 1 -19 18 18 o 47.29251 4.918666 112.9767       22.43685 138.2083       28.53728 72.13000       36.30943 52.10130 5.688028 36.17749 9.946041 15.92380       11.45763 
1 1 1 -19 18 19 f 80.22589 3.937156 320.3642       30.82300 319.6635       39.19326 321.5000       49.90195 79.71066 5.049246 79.24713 6.490012 0.4635239      8.222843 
1 1 1 -19 18 20 o 83.83311 4.358938 351.3203       35.64579 366.1000       49.06493 334.8000       51.87379 84.82961 5.946717 80.73856 6.622022 4.091049       8.900259 
1 1 1 -19 18 21 o 66.29866 4.218327 219.9529       27.23284 195.1949       33.91363 264.9000       45.69489 61.89372 5.660451 71.70404 6.583987 -9.810322      8.682718 
1 1 1 -19 18 22 o 40.84780 5.630812 85.87861       21.91536 59.14465       27.19489 135.4000       37.01281 32.90710 8.411797 50.51559 7.731034 -17.60848      11.42485 
1 1 1 -19 18 23 o 50.25486 4.782006 127.8609       23.23991 125.3038       29.42596 132.1000       37.88732 49.17759 6.254335 49.64939 8.073127 -0.4718094     10.21235 
1 1 1 -19 18 24 f 54.80369 4.477694 151.3775       23.81066 143.8696       29.81382 164.6000       39.56558 52.87996 5.858111 55.82300 7.424947 -2.943039      9.457658 
1 1 1 -19 18 25 o 83.98026 3.884763 352.3720       31.84709 344.0846       39.96023 366.8000       52.72528 82.44885 4.974646 84.20835 6.445717 -1.759499      8.142136 
1 1 1 -19 18 26 f 66.39893 4.195719 221.5637       27.12984 183.3861       33.39247 295.7000       46.53286 59.67393 5.789526 75.53353 6.352626 -15.85960      8.595026 
1 1 1 -19 18 27 o 29.63395 7.244321 47.75992       20.83392 35.95578       25.75055 70.13000       35.44893 26.02736 8.650472 34.95096 9.908911 -8.923599      13.15360 
1 1 1 -19 18 28 f 42.05075 5.701866 92.17152       22.86502 82.62846       28.41554 109.7000       38.51094 38.81874 7.749963 43.97543 9.240913 -5.156693      12.06053 
1 1 1 -19 18 29 f 48.77519 5.283375 122.9506       24.82187 82.10233       30.04350 210.8000       44.05885 38.29475 8.258195 62.62491 7.325801 -24.33016      11.03925 
1 1 1 -19 18 30 o 61.90051 4.579054 195.4393       27.54802 179.2516       33.92074 226.8000       47.21347 58.42131 6.017806 64.51953 7.623025 -6.098225      9.712081 
1 1 1 -19 18 31 o 15.27594 6.800204 -4.113520      20.49843 10.51982       24.84771 -35.29000      36.26838 19.36817 8.020823 16.75381 7.986115 2.614367       11.31864 
1 1 1 -19 18 32 o 29.47018 7.842257 49.53830       23.01760 36.65779       27.68873 78.35000       41.41150 25.69876 8.962060 35.22808 10.90009 -9.529325      14.11136 
1 1 1 -19 18 33 o 26.18861 7.336927 38.67466       19.55478 61.72551       27.50528 15.11627       27.80644 32.46245 8.542180 20.81956 8.539259 11.64289       12.07840 
1 1 1 -19 18 34 o 17.65123 7.381928 7.571317       21.34669 1.720215       26.91133 17.50000       35.05599 18.16892 7.951283 22.54849 9.447008 -4.379568      12.34783 
1 1 1 -19 18 35 o 28.01213 7.302132 44.71226       20.22315 27.99442       28.47633 61.72334       28.72499 23.43614 8.938885 32.07399 8.857704 -8.637850      12.58422 
1 1 1 -19 18 36 o 57.53471 5.684127 175.8407       31.59325 170.8000       40.78847 183.4000       49.95007 54.88130 7.813322 55.07194 9.615840 -0.1906395     12.39001 
1 1 1 -19 18 37 o 17.38888 7.279825 7.756279       20.79304 16.93000       30.36177 -0.3466269     28.53479 21.33606 8.853716 18.11214 8.045310 3.223921       11.96308 
1 1 1 -19 18 38 o 18.54617 7.369519 13.95430       19.99412 9.968947       28.21823 17.97244       28.33405 19.60775 8.357233 21.08562 8.630897 -1.477865      12.01398 
1 1 1 -19 18 39 o 35.82049 6.273630 70.88107       21.19551 53.03635       30.68213 87.17050       29.31458 29.08825 9.430582 38.49097 8.040394 -9.402723      12.39289 
1 1 1 -19 18 40 o 34.93393 6.304357 67.96815       20.76427 49.34823       29.41293 86.46748       29.31754 28.01546 9.242761 38.08560 8.112917 -10.07014      12.29829 
1 1 1 -19 18 41 f 14.76958 6.590712 -2.493369      19.37588 -14.98829      26.95721 10.86088       27.86878 15.49124 7.228504 19.41962 8.292016 -3.928373      11.00040 
1 1 1 -19 18 42 o 19.55338 7.508486 18.81653       20.18211 47.64730       28.58840 -9.827031      28.49544 27.37962 9.115095 16.50305 7.606738 10.87658       11.87213 
1 1 1 -19 18 43 o 17.40373 7.241726 9.572156       20.39151 3.581028       28.27209 16.06814       29.43921 18.27893 8.069175 20.55674 8.637707 -2.277805      11.82039 
1 1 1 -19 18 44 o 17.97863 7.445511 11.32090       21.41156 33.45134       30.49513 -10.19732      30.07037 23.94650 9.220784 16.83735 7.779813 7.109150       12.06434 
1 1 1 -19 18 45 o 15.16119 7.041997 -12.19135      25.12377 -45.85136      29.88659 68.90000       46.38809 13.48148 6.614933 30.44696 11.45525 -16.96548      13.22800 
1 1 1 -19 18 46 o 24.47163 8.728032 36.63540       26.37449 48.87764       31.70061 9.104000       47.53914 27.29185 9.584206 22.20562 10.07848 5.086231       13.90801 
1 1 1 -19 18 47 o 55.96466 5.317670 169.1822       28.78048 212.7000       47.17286 143.3787       36.32434 58.98451 8.408256 48.95887 7.844634 10.02564       11.49944 
1 1 1 -19 18 48 o 41.60536 6.188535 97.10358       24.43630 66.24723       33.70235 131.3060       35.48265 31.05281 9.866031 46.54623 8.080957 -15.49343      12.75306 
1 1 1 -19 18 49 o 40.39666 6.287416 92.58842       24.05268 104.8381       33.80993 80.03598       34.22513 40.51582 8.779439 34.08231 9.760688 6.433506       13.12820 
1 1 1 -19 18 50 f 31.85170 7.716323 62.90350       23.80091 62.94661       33.92798 62.86172       33.39744 29.60630 9.931306 29.67279 9.851192 -0.6649208E-01 13.98845 
1 1 1 -19 18 51 o 19.37974 7.825435 18.57248       22.92186 19.95901       32.42809 17.18795       32.40472 20.86999 8.928808 20.43651 8.836281 0.4334717      12.56199 
1 1 1 -19 19 1  o 142.8677 3.468579 1006.194       48.50560 975.9760       71.98316 1031.327       65.64823 139.9575 5.263844 144.1524 4.658708 -4.194901      7.029339 
1 1 1 -19 19 2  o 54.57757 3.630579 147.5753       19.28502 221.6000       56.51808 137.8208       20.51632 65.14440 9.112407 52.66319 4.010182 12.48121       9.955778 
1 1 1 -19 19 3  f 72.08054 3.486308 256.7441       24.52450 196.2000       59.75821 269.0065       26.89363 60.63859 10.44487 73.73330 3.738515 -13.09471      11.09377 
1 1 1 -19 19 4  o 64.40170 3.396522 204.9840       21.33535 141.0000       40.08410 230.2765       25.20187 52.08413 8.127803 68.19075 3.790649 -16.10662      8.968288 
1 1 1 -19 19 5  f 73.60842 3.639177 268.0047       26.13896 234.9479       35.85543 305.5000       38.18677 68.46607 5.393773 78.24237 5.012507 -9.776299      7.363288 
1 1 1 -19 19 6  o 31.14641 4.679709 49.16089       13.82632 44.44151       25.64507 51.09483       16.41660 29.13386 8.481326 31.57407 5.512306 -2.440203      10.11526 
1 1 1 -19 19 7  o 59.93309 3.181371 177.4457       18.59639 181.9813       31.64633 175.0534       22.98324 60.17110 5.431572 59.37133 3.977785 0.7997704      6.732366 
1 1 1 -19 19 8  o 54.14030 4.335028 146.1488       22.78125 127.7077       29.54287 173.2000       35.78113 50.10633 6.152565 58.38704 6.363693 -8.280716      8.851590 
1 1 1 -19 19 9  o 119.7847 3.252255 707.8226       38.09693 654.7342       56.06730 753.3567       51.92519 114.5782 5.011329 123.2143 4.312018 -8.636101      6.611121 
1 1 1 -19 19 10 o 62.62679 3.250678 193.8907       19.85872 181.0603       32.55016 201.4980       25.06378 59.91707 5.615477 63.67556 4.042175 -3.758484      6.919014 
1 1 1 -19 19 11 o 21.68778 6.246103 24.23956       13.97775 7.640942       24.26171 32.48615       17.10105 19.37243 7.964398 24.93423 6.814071 -5.561798      10.48156 
1 1 1 -19 19 12 o 53.39287 3.493633 141.4116       18.15828 111.7849       29.60519 159.2785       22.99060 46.57768 6.684906 56.52106 4.185295 -9.943382      7.886992 
1 1 1 -19 19 13 o 116.9315 3.263540 675.4072       37.31659 661.7962       56.15241 686.1728       49.93951 115.0348 4.998859 117.4409 4.351814 -2.406113      6.627736 
1 1 1 -19 19 14 o 37.89674 5.183415 73.11636       18.72419 67.47522       26.32762 78.89000       26.63507 35.60490 7.772881 38.72626 7.294076 -3.121361      10.65933 
1 1 1 -19 19 15 o 33.47839 5.678487 57.83511       17.94390 46.93925       24.91368 69.58000       25.86613 29.61880 8.275489 36.20433 7.544103 -6.585529      11.19809 
1 1 1 -19 19 16 o 40.11590 4.485857 81.14203       17.31321 80.75198       25.90918 81.45671       23.27176 39.23508 7.003377 39.68706 6.192777 -0.4519768     9.348678 
1 1 1 -19 19 17 o 96.49762 3.868290 462.9186       36.46371 412.8216       44.83426 560.8000       62.66918 90.60841 5.075451 105.0313 6.122320 -14.42287      7.952548 
1 1 1 -19 19 18 f 25.10095 7.692812 32.96709       20.68657 30.21000       26.76196 37.06000       32.60677 24.99035 8.803591 27.42216 9.712334 -2.431810      13.10849 
1 1 1 -19 19 19 o 36.86258 6.541958 71.24230       22.74029 71.13000       29.75523 71.40000       35.26032 36.12067 8.549575 35.82508 9.782110 0.2955856      12.99172 
1 1 1 -19 19 20 o 46.17771 5.177224 108.5890       22.99860 97.24288       28.78955 128.6000       38.23370 42.94810 7.095915 48.95615 8.273193 -6.008049      10.89944 
1 1 1 -19 19 21 o 49.31665 4.915955 123.3707       23.41477 133.7030       29.80023 106.7000       37.85266 50.89414 6.103602 44.04165 9.082415 6.852497       10.94277 
1 1 1 -19 19 22 o 33.37090 6.524216 58.89823       20.54688 62.99596       25.73919 51.70000       34.11424 34.06016 7.877419 30.76035 9.941730 3.299810       12.68431 
1 1 1 -19 19 23 o 54.49096 4.581493 149.9678       24.21033 131.7736       30.64130 180.2000       39.49797 50.33456 6.361000 58.61521 7.023987 -8.280647      9.476218 
1 1 1 -19 19 24 o 36.62844 6.269714 70.59632       21.67101 39.14308       26.81669 129.8000       36.79145 27.05877 8.819760 49.08545 7.927578 -22.02667      11.85895 
1 1 1 -19 19 25 o 22.69444 7.769151 25.91432       20.77043 5.556974       25.95468 62.17000       34.63723 19.10758 8.074039 33.06944 9.917009 -13.96186      12.78817 
1 1 1 -19 19 26 o 70.32814 4.212970 248.9749       28.86877 213.3655       35.74222 315.8000       48.96313 64.32363 5.736962 77.81731 6.487115 -13.49368      8.659988 
1 1 1 -19 19 27 o 77.83588 4.067038 304.8571       30.87842 275.5224       38.18323 360.3000       52.49341 73.24828 5.362771 82.91028 6.520744 -9.662003      8.442714 
1 1 1 -19 19 28 o 29.35705 7.509431 47.79456       21.66304 65.44915       26.82034 14.66000       36.74313 34.13115 8.142253 23.01616 9.659184 11.11499       12.63314 
1 1 1 -19 19 29 f 62.34199 4.565175 198.2824       27.66450 183.4225       34.16043 226.6000       47.15673 59.09554 5.988142 64.44655 7.622851 -5.351006      9.693590 
1 1 1 -19 19 30 o 28.93915 7.690722 47.37256       22.15514 51.68449       26.96295 38.41000       38.87294 29.84181 8.699123 27.04565 10.41153 2.796158       13.56741 
1 1 1 -19 19 31 o 34.93481 6.933328 67.36423       22.87176 65.79918       27.55619 70.83000       41.00668 33.70186 8.386937 33.55802 10.90415 0.1438370      13.75650 
1 1 1 -19 19 32 o 27.22242 8.072862 42.58405       23.05265 21.96232       26.82666 100.8000       45.07391 22.02790 8.602268 39.51389 11.16353 -17.48599      14.09338 
1 1 1 -19 19 33 o 36.65366 8.422864 78.50581       29.58424 78.50581       29.58424 0.000000       0.000000 36.65366 8.422864 ?        ?        ?              ?        
1 1 1 -19 19 34 o 15.55680 7.015528 -6.032022      22.59900 -1.249802      27.06260 -17.05000      41.07765 17.68255 7.845831 19.37114 8.999812 -1.688593      11.93958 
1 1 1 -19 19 35 o 15.63778 7.166116 -10.44302      24.78663 -32.32000      30.89279 29.09000       41.52822 15.19854 7.278914 25.11928 10.38275 -9.920736      12.68007 
1 1 1 -19 19 36 o 46.67955 5.115857 114.8040       22.99252 120.6315       32.69977 109.1054       32.33594 46.10239 7.504132 43.50218 7.884189 2.600208       10.88450 
1 1 1 -19 19 37 o 31.12990 6.882153 54.92012       20.41244 55.54216       28.79185 54.29150       28.94384 30.01446 9.050747 29.66004 9.101301 0.3544178      12.83549 
1 1 1 -19 19 38 o 33.28834 6.374498 61.62392       20.01427 75.15269       28.64617 48.72198       27.97467 35.38573 8.397406 28.15531 8.993536 7.230419       12.30448 
1 1 1 -19 19 39 o 28.01397 7.163867 45.62686       19.71898 89.73644       28.15965 3.186039       27.62184 39.25861 7.602731 18.19738 8.006734 21.06123       11.04125 
1 1 1 -19 19 40 o 19.06872 7.324832 17.41462       19.21133 22.77959       27.00665 11.91874       27.33416 21.52679 8.561335 19.48179 8.261423 2.045000       11.89738 
1 1 1 -19 19 41 o 18.22222 7.279944 13.99371       19.61484 6.965032       27.39623 21.38613       28.09616 18.58442 8.079596 21.30801 8.642150 -2.723591      11.83075 
1 1 1 -19 19 42 o 15.82705 6.875302 2.706480       19.80482 24.71572       27.76062 -20.10595      28.26261 21.95814 8.697001 15.27398 7.212844 6.684155       11.29880 
1 1 1 -19 19 43 o 18.76871 7.489494 15.53220       20.73592 33.35886       29.60198 -1.642577      29.05570 23.84327 9.109045 17.63714 7.954158 6.206125       12.09311 
1 1 1 -19 19 44 o 29.29615 7.693747 51.95098       22.34146 66.63456       31.21601 36.53083       31.98938 31.80250 9.384654 24.57226 9.448598 7.230242       13.31720 
1 1 1 -19 19 45 o 26.79082 8.099517 44.33056       23.03668 50.04652       31.67448 37.91182       33.56526 27.54150 9.586631 24.87935 9.648547 2.662149       13.60140 
1 1 1 -19 19 46 o 28.49339 9.328244 53.71409       29.98221 49.84000       38.34352 59.81000       48.09793 27.10979 10.36463 28.58707 11.40684 -1.477276      15.41238 
1 1 1 -19 19 47 o 17.29672 7.382895 7.814978       22.07861 1.731875       31.15186 13.95465       31.29638 18.43265 8.281037 20.23334 8.715738 -1.800692      12.02247 
1 1 1 -19 19 48 o 16.87924 7.308218 5.791717       22.22718 11.07180       31.29122 0.4141661      31.57872 19.66947 8.591706 18.24839 8.255143 1.421082       11.91490 
1 1 1 -19 19 49 o 14.29562 6.631065 -10.06280      22.16331 -45.14451      31.43601 24.60965       31.25210 13.79246 6.770912 21.72206 8.995429 -7.929607      11.25891 
1 1 1 -19 19 50 o 23.78636 8.206361 36.22252       23.18738 24.59557       33.09824 47.42878       32.49393 21.64510 9.130508 25.96985 9.623828 -4.324751      13.26591 
1 1 1 -19 20 1  o 33.24157 4.489744 55.77813       14.23548 33.11040       28.43375 63.36045       16.44489 26.25564 9.086080 35.37560 4.878991 -9.119959      10.31317 
1 1 1 -19 20 2  f 49.35684 3.464952 120.7910       16.63347 95.71192       30.98028 130.9486       19.71625 42.78271 7.680163 51.30208 3.956851 -8.519371      8.639535 
1 1 1 -19 20 3  o 49.31873 3.494029 120.6365       16.75806 122.5929       30.97850 119.8271       19.92517 48.90084 6.643655 49.01013 4.193725 -0.1092873     7.856556 
1 1 1 -19 20 4  o 51.89211 3.875856 133.8918       19.54460 207.2000       59.10960 124.8932       20.70943 62.28505 10.03647 50.02283 4.270344 12.26222       10.90718 
1 1 1 -19 20 5  o 81.25134 3.311559 326.1447       26.28199 260.1000       47.93285 354.5363       31.42740 71.38493 6.947742 84.59521 3.805131 -13.21028      7.921499 
1 1 1 -19 20 6  o 62.99047 3.252630 196.1832       19.98676 173.3730       33.88802 208.3499       24.74962 58.47824 6.005579 64.77276 3.922020 -6.294514      7.172812 
1 1 1 -19 20 7  f 80.42716 3.642995 320.3267       28.60478 309.7234       39.76264 331.7000       41.18117 78.60737 5.196960 81.35883 5.198351 -2.751465      7.350595 
1 1 1 -19 20 8  o 64.10715 3.249410 203.2641       20.32350 171.9124       33.00970 222.4035       25.79143 58.23470 5.871066 66.89992 3.956281 -8.665222      7.079659 
1 1 1 -19 20 9  o 78.20894 3.118739 302.1105       23.82703 290.7088       38.11465 309.4247       30.52744 76.12076 5.145675 78.93189 3.963910 -2.811134      6.495425 
1 1 1 -19 20 10 o 12.80950 5.557667 -1.499887      12.90854 -11.40969      23.37866 2.846364       15.48262 15.66148 7.092124 15.06800 6.293095 0.5934820      9.481628 
1 1 1 -19 20 11 o 36.44520 4.476450 67.04610       15.63407 61.77113       27.03946 69.69519       19.16177 33.92717 8.227948 36.90378 5.470030 -2.976612      9.880302 
1 1 1 -19 20 12 o 14.33312 5.909581 3.564473       13.40811 -4.952141      23.58889 7.629419       16.29676 16.72569 7.377602 16.59814 6.634155 0.1275406      9.921745 
1 1 1 -19 20 13 o 25.48634 6.515190 34.23956       16.31360 31.92709       25.23438 35.90000       21.38287 25.30666 8.565135 26.13093 7.781402 -0.8242664     11.57202 
1 1 1 -19 20 14 o 61.75916 3.942560 190.1020       23.70895 157.1543       32.07251 229.8000       35.20503 55.45461 6.004329 67.42569 5.378808 -11.97108      8.061236 
1 1 1 -19 20 15 o 80.93474 3.226723 324.3059       25.51124 313.7066       39.14798 332.1293       33.63337 78.92707 5.094518 81.57471 4.226610 -2.647644      6.619543 
1 1 1 -19 20 16 o 52.61341 3.734086 138.0170       19.10538 126.6357       29.95918 145.8180       24.80337 49.54108 6.321990 53.78521 4.760413 -4.244125      7.913854 
1 1 1 -19 20 17 o 28.78296 6.336385 43.75114       17.36746 65.50000       29.38466 32.07486       21.53052 34.60212 8.689185 24.84372 7.884785 9.758398       11.73336 
1 1 1 -19 20 18 o 17.00960 7.135957 3.990496       20.04329 1.361000       25.51511 8.228000       32.39040 18.37127 7.891072 21.55057 9.058119 -3.179298      12.01327 
1 1 1 -19 20 19 o 54.03889 4.728526 147.5318       24.75968 175.0099       32.02487 106.7000       39.03857 58.51120 5.662360 43.90183 9.370021 14.60938       10.94804 
1 1 1 -19 20 20 o 77.66660 4.093581 301.7352       31.01042 314.8292       39.87640 281.7000       49.32619 78.82471 5.197297 73.57570 6.930802 5.249008       8.663020 
1 1 1 -19 20 21 o 59.36308 4.555276 177.6911       26.26675 167.6989       33.13093 194.6000       43.09840 57.03910 6.025043 60.74547 7.400968 -3.706371      9.543347 
1 1 1 -19 20 22 o 44.19597 5.471019 100.5062       23.16283 88.57242       29.08463 121.2000       38.29973 40.55723 7.605708 47.05083 8.634235 -6.493599      11.50638 
1 1 1 -19 20 23 o 48.83429 5.070446 121.8073       23.88454 117.1089       30.38883 129.4000       38.63112 47.12019 6.783953 48.69267 8.409199 -1.572487      10.80447 
1 1 1 -19 20 24 o 31.63519 7.090318 54.13845       21.41092 65.23476       27.09816 35.70000       34.93112 34.35443 8.177020 26.92047 9.977827 7.433962       12.90041 
1 1 1 -19 20 25 o 61.73479 4.455511 192.8880       26.74251 155.6435       33.20004 261.7000       45.12735 54.49954 6.341903 70.63921 6.603127 -16.13967      9.155382 
1 1 1 -19 20 26 o 50.83129 4.933175 132.4102       24.23677 117.7318       29.85191 160.8000       41.51580 47.05000 6.668591 54.17966 8.074607 -7.129669      10.47231 
1 1 1 -19 20 27 o 63.13738 4.510964 202.8227       27.69436 204.5857       34.64075 199.7000       46.10340 62.70968 5.705890 60.29339 8.009871 2.416290       9.834390 
1 1 1 -19 20 28 o 42.11330 5.885506 93.74432       23.59939 59.08302       28.41568 170.8000       42.36799 31.94517 8.805122 55.49354 8.033308 -23.54837      11.91907 
1 1 1 -19 20 29 o 54.14697 4.983821 151.7354       26.11839 155.5145       32.38202 144.7000       44.18328 54.01753 6.238913 49.63142 9.439701 4.386116       11.31512 
1 1 1 -19 20 30 o 39.52946 6.407073 84.53647       23.94268 100.4744       29.69768 54.94000       40.46940 42.52850 7.402824 30.17687 10.80602 12.35163       13.09855 
1 1 1 -19 20 31 o 30.29449 8.821111 54.33883       27.73838 54.33883       27.73838 0.000000       0.000000 30.29449 8.821111 ?        ?        ?              ?        
1 1 1 -19 20 32 o 28.36560 8.862864 47.63980       27.30485 47.63980       27.30485 0.000000       0.000000 28.36560 8.862864 ?        ?        ?              ?        
1 1 1 -19 20 33 o 16.12540 7.144030 -1.917549      22.35340 5.634049       25.98224 -23.43000      43.85328 18.48838 7.952470 19.38885 9.102657 -0.9004688     12.08719 
1 1 1 -19 20 34 o 27.98627 10.95571 45.81000       43.60050 0.000000       0.000000 45.81000       43.60050 ?        ?        27.98627 10.95571 ?              ?        
1 1 1 -19 20 35 o 35.69958 7.202854 72.35569       24.30041 83.78709       29.04742 45.70000       44.35602 37.83315 8.088910 27.78377 10.99686 10.04938       13.65143 
1 1 1 -19 20 36 o 47.91264 5.658461 123.0878       26.02579 160.3109       31.61841 44.88000       45.83090 54.42958 6.036053 27.57228 11.08932 26.85730       12.62565 
1 1 1 -19 20 37 o 36.73344 6.821388 75.97471       23.62408 91.92651       28.66643 42.21000       41.70618 39.87399 7.622513 26.79082 10.64425 13.08316       13.09209 
1 1 1 -19 20 38 o 25.39610 7.975859 38.35816       22.08415 12.60997       26.32670 99.50000       40.56882 19.49894 8.179199 38.55963 10.47777 -19.06069      13.29221 
1 1 1 -19 20 39 o 49.03825 5.403136 129.3304       25.50570 141.6719       31.63342 106.4000       43.11885 50.30505 6.582066 39.15490 10.86741 11.15016       12.70528 
1 1 1 -19 20 40 o 32.10210 7.695735 61.67242       23.86761 57.76890       29.28178 69.40000       41.19942 29.94693 9.147635 31.22005 10.92900 -1.273115      14.25209 
1 1 1 -19 20 41 o 22.85267 8.194892 30.19509       23.28340 45.07307       28.82310 2.253000       39.50008 26.68406 9.151589 20.38003 9.224753 6.304026       12.99414 
1 1 1 -19 20 42 o 26.06738 7.777145 41.21011       21.34378 53.97382       30.55694 29.05000       29.82566 28.66672 9.419025 22.93849 9.036673 5.728231       13.05295 
1 1 1 -19 20 43 o 30.89677 8.331235 59.51470       25.76711 47.71354       30.67817 87.78000       47.47816 27.06681 9.433826 33.75829 11.73784 -6.691471      15.05902 
1 1 1 -19 20 44 o 14.99690 6.787024 -4.562018      21.37140 21.33609       29.63672 -32.61858      30.84703 21.35520 8.793443 14.76517 7.122972 6.590030       11.31642 
1 1 1 -19 20 45 o 22.64065 8.279824 29.92887       23.92017 29.24000       36.83640 30.43114       31.45409 23.46072 9.745210 23.23205 9.239453 0.2286739      13.42895 
1 1 1 -19 20 46 o 16.09964 7.089744 1.911115       21.69984 31.96790       30.81815 -27.64402      30.55989 23.37601 9.192883 15.04650 7.214985 8.329516       11.68611 
1 1 1 -19 20 47 o 19.23796 8.113256 13.85997       26.12435 13.73842       31.12083 14.15000       48.07232 20.08206 8.671169 22.44288 10.16574 -2.360815      13.36156 
1 1 1 -19 20 48 f 27.72067 8.014431 48.59128       22.97117 27.41878       31.78633 71.73666       33.23430 22.30349 9.136892 32.02617 9.738085 -9.722683      13.35339 
1 1 1 -19 20 49 o 28.36445 7.986608 51.44312       23.11011 37.46989       32.35746 65.99250       33.01782 23.98260 9.423225 30.29224 9.779829 -6.309633      13.58095 
1 1 1 -19 20 50 o 18.90281 7.687194 17.32842       22.29955 14.61854       31.41463 20.08070       31.65944 19.75598 8.619457 20.63455 8.825079 -0.8785667     12.33601 
1 1 1 -19 21 1  o 67.25208 3.202630 223.6576       21.02175 169.0961       35.55286 252.9870       26.06654 57.51980 6.424238 71.40437 3.742581 -13.88456      7.434900 
1 1 1 -19 21 2  o 43.69680 3.777488 95.19386       15.99843 48.37403       30.28897 113.3103       18.84110 30.24417 9.315824 47.63324 4.080274 -17.38906      10.17021 
1 1 1 -19 21 3  o 65.27446 3.209944 210.7523       20.44622 199.3320       36.36337 216.0320       24.72485 62.65486 6.002619 65.93845 3.847508 -3.283592      7.129849 
1 1 1 -19 21 4  o 44.63832 3.803590 99.35516       16.46095 82.00587       31.75146 105.7321       19.24990 39.11521 8.533586 45.93590 4.332414 -6.820694      9.570366 
1 1 1 -19 21 5  o 59.26021 3.322006 173.9672       19.19233 158.4221       33.93301 181.2791       23.27237 55.65405 6.342049 60.34532 3.961864 -4.691269      7.477830 
1 1 1 -19 21 6  o 40.17969 4.204316 81.01992       16.29065 33.82926       29.91644 100.9112       19.42286 26.47883 9.309641 44.81657 4.487916 -18.33773      10.33493 
1 1 1 -19 21 7  o 24.23439 6.049668 30.78251       14.30507 7.850000       29.76968 37.66750       16.31172 20.96119 8.738176 26.77000 6.326023 -5.808817      10.78769 
1 1 1 -19 21 8  o 41.34573 4.772670 86.40071       18.96105 71.05568       30.15952 96.43000       24.38236 36.26031 8.623871 43.36883 5.896266 -7.108513      10.44687 
1 1 1 -19 21 9  o 39.01548 4.270236 76.57630       16.04173 57.59749       28.33264 85.53109       19.46168 32.62527 8.709278 41.08051 4.938854 -8.455246      10.01218 
1 1 1 -19 21 10 o 52.12569 3.531878 135.0945       17.91396 159.8778       31.66794 123.4320       21.72379 56.00159 5.863984 49.56092 4.528030 6.440674       7.408735 
1 1 1 -19 21 11 o 32.33767 5.032564 53.53733       15.41154 32.93793       27.26912 63.20493       18.68114 25.80364 8.899519 35.01610 5.642107 -9.212458      10.53731 
1 1 1 -19 21 12 o 66.83449 3.824096 222.3924       24.91260 213.0026       35.40556 231.6000       35.06046 64.76083 5.641634 67.67397 5.335995 -2.913147      7.765364 
1 1 1 -19 21 13 o 16.18692 6.480961 7.229527       15.58021 -4.232405      25.07215 14.44000       19.88587 17.32442 7.625239 19.49323 7.461294 -2.168800      10.66842 
1 1 1 -19 21 14 o 35.41448 4.800175 63.88168       16.21166 61.69144       27.56343 65.04008       20.04543 33.68030 8.391769 35.37056 6.004317 -1.690258      10.31861 
1 1 1 -19 21 15 o 77.57808 3.280881 298.4290       24.85731 294.7859       39.68046 300.7821       31.88994 76.28851 5.347748 77.55733 4.216588 -1.268829      6.810141 
1 1 1 -19 21 16 o 43.54734 4.467957 95.76232       18.77502 90.77000       33.05243 98.14056       22.81284 40.82662 8.545586 43.77364 5.441401 -2.947018      10.13094 
1 1 1 -19 21 17 o 90.74757 3.531859 409.3347       31.31228 385.0000       54.34368 421.4289       38.31111 86.45676 6.468498 91.75334 4.277535 -5.296577      7.754919 
1 1 1 -19 21 18 o 41.50811 4.723875 87.53356       18.85167 50.80169       29.23577 113.6758       24.66404 30.42236 9.108188 47.10495 5.449630 -16.68259      10.61403 
1 1 1 -19 21 19 o 68.08354 4.371657 232.9323       28.97966 225.4271       37.27537 244.4000       46.07646 66.32355 5.800107 68.40874 6.978799 -2.085197      9.074408 
1 1 1 -19 21 20 o 22.29251 7.734374 24.44048       20.60886 23.36959       25.65209 26.39000       34.61108 22.87992 8.536968 25.14611 9.784943 -2.266186      12.98557 
1 1 1 -19 21 21 o 68.36173 4.283796 235.0720       28.52065 225.0098       36.05287 251.9000       46.62412 66.24145 5.613169 69.28598 6.969359 -3.044533      8.948723 
1 1 1 -19 21 22 o 39.45789 6.118076 81.63741       22.86496 99.81293       29.41745 53.90000       36.34079 43.19719 7.211398 31.05035 10.27499 12.14684       12.55308 
1 1 1 -19 21 23 o 41.48892 5.912731 89.91885       23.33320 114.0691       30.02737 53.11000       37.07089 46.36975 6.819204 30.78569 10.38146 15.58406       12.42080 
1 1 1 -19 21 24 o 90.93999 4.012001 415.5697       35.62476 389.2946       44.61427 461.8000       59.17862 87.20797 5.250828 93.95844 6.474197 -6.750473      8.335852 
1 1 1 -19 21 25 o 42.83056 5.756697 96.07115       23.52369 80.39366       29.24615 124.8000       39.59038 37.94219 8.120070 46.96515 8.938520 -9.022961      12.07612 
1 1 1 -19 21 26 o 43.21636 5.769920 98.18233       23.79825 94.56876       29.83789 104.5000       39.45289 41.37578 7.649108 42.12207 9.760252 -0.7462845     12.40046 
1 1 1 -19 21 27 o 86.44251 4.123542 378.3758       34.78965 383.3372       44.20268 370.3000       56.39510 86.10638 5.269774 82.95427 7.010969 3.152115       8.770645 
1 1 1 -19 21 28 o 53.92572 4.989426 150.6570       26.03761 109.9017       31.54405 237.8000       46.12553 44.46841 7.514487 65.95213 7.265289 -21.48372      10.45236 
1 1 1 -19 21 29 o 18.11200 7.430311 9.818698       21.05891 -11.09965      25.01028 60.78000       39.03688 15.74634 7.209312 31.34713 10.65265 -15.60078      12.86286 
1 1 1 -19 21 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -19 21 31 o 32.21175 8.962084 62.34954       29.28580 62.34954       29.28580 0.000000       0.000000 32.21175 8.962084 ?        ?        ?              ?        
1 1 1 -19 21 32 o 11.76585 5.722772 -32.06082      20.98513 -35.95251      24.85874 -22.41000      39.14641 12.87941 6.256174 18.37380 8.617902 -5.494389      10.64932 
1 1 1 -19 21 33 o 34.81276 11.46983 82.22000       45.30018 0.000000       0.000000 82.22000       45.30018 ?        ?        34.81276 11.46983 ?              ?        
1 1 1 -19 21 34 o 47.33962 5.631165 119.8924       25.58253 95.48337       30.33543 180.0000       47.60351 40.55889 7.925412 54.61237 9.233978 -14.05347      12.16875 
1 1 1 -19 21 35 o 26.12772 8.095709 40.32890       22.83466 55.97633       27.29216 3.814000       41.69187 30.27609 8.730456 21.42119 9.605319 8.854900       12.98010 
1 1 1 -19 21 36 o 18.56363 7.550997 12.79611       21.52223 -11.24209      25.55280 71.48000       39.92519 15.63002 7.203954 32.51542 10.77018 -16.88540      12.95738 
1 1 1 -19 21 37 o 25.14919 8.016982 37.61585       22.23822 41.33736       26.81594 29.42000       39.79516 26.04149 8.829345 24.32256 10.11827 1.718933       13.42895 
1 1 1 -19 21 38 o 13.40960 6.290544 -15.12685      20.87201 -18.63664      24.87662 -6.781000      38.36067 14.38904 6.786442 19.22098 8.847310 -4.831948      11.15037 
1 1 1 -19 21 39 o 17.93299 7.425372 11.14279       21.29098 9.851899       25.42848 14.17000       38.94019 18.62301 7.935312 21.73139 9.535958 -3.108381      12.40579 
1 1 1 -19 21 40 o 17.12056 7.291184 7.051105       21.44758 16.27309       25.83066 -13.42000      38.48521 19.90812 8.204699 18.49470 8.632264 1.413424       11.90937 
1 1 1 -19 21 41 o 28.10804 8.195632 48.94805       23.92965 58.79906       29.28893 29.17000       41.50065 30.08339 9.140676 23.98719 10.17609 6.096201       13.67863 
1 1 1 -19 21 42 o 25.08270 9.138826 39.19967       29.10114 39.19967       29.10114 0.000000       0.000000 25.08270 9.138826 ?        ?        ?              ?        
1 1 1 -19 21 43 o 22.66031 8.313077 29.89083       24.14193 30.92428       29.26629 27.69000       42.70865 23.20120 9.006248 23.78357 10.21245 -0.5823727     13.61641 
1 1 1 -19 21 44 o 20.73443 8.363207 20.81380       26.14862 -4.158000      33.55627 59.42000       41.72317 18.27226 8.360093 28.80554 10.85829 -10.53328      13.70378 
1 1 1 -19 21 45 o 42.18439 7.404681 105.3069       29.46012 96.18000       38.50036 118.2000       45.75946 37.12090 10.25597 40.00674 11.22900 -2.885834      15.20774 
1 1 1 -19 21 46 o 42.54823 6.510947 103.1835       26.25531 107.7197       32.18505 94.16000       45.39384 41.90061 8.140859 34.87489 11.48127 7.025719       14.07456 
1 1 1 -19 21 47 o 19.03322 7.861106 15.51321       23.78118 18.36411       29.00736 9.669000       41.53170 20.39107 8.571475 20.95773 9.475266 -0.5666542     12.77697 
1 1 1 -19 21 48 o 35.40054 9.167692 84.58845       32.01642 84.58845       32.01642 0.000000       0.000000 35.40054 9.167692 ?        ?        ?              ?        
1 1 1 -19 21 49 o 15.53504 7.083909 -3.804398      23.83170 11.88887       29.21281 -35.03000      41.20711 19.06834 8.315804 16.65313 8.081253 2.415207       11.59566 
1 1 1 -19 22 1  o 82.68258 3.142131 338.0814       25.38361 289.1042       41.66690 366.9853       32.00903 75.55765 5.675344 85.94160 3.814577 -10.38396      6.838167 
1 1 1 -19 22 2  o 32.47230 6.648381 55.45927       20.41976 34.41670       30.29906 72.97000       27.63961 26.58989 9.367302 36.95113 7.882351 -10.36125      12.24246 
1 1 1 -19 22 3  o 116.6565 3.272956 673.1108       37.33582 611.6719       56.42929 720.9484       49.79288 110.2930 5.241978 120.3106 4.234819 -10.01761      6.738844 
1 1 1 -19 22 4  f 77.51233 3.163492 297.2506       23.95136 249.2122       39.83611 324.4485       29.97432 70.03072 5.865245 80.79641 3.800756 -10.76569      6.989052 
1 1 1 -19 22 5  o 16.79761 6.128778 11.91355       13.09474 -6.352046      28.11707 16.97260       14.79747 18.07498 8.009788 19.00408 6.555726 -0.9290943     10.35057 
1 1 1 -19 22 6  o 26.12255 7.595150 36.05539       20.57752 38.68725       29.43596 33.54000       28.77725 27.51203 9.250727 26.14846 9.135346 1.363569       13.00117 
1 1 1 -19 22 7  o 119.9077 3.349705 711.7630       39.27661 656.0345       59.41178 755.0267       52.34750 114.1203 5.333426 123.0222 4.354030 -8.901909      6.884984 
1 1 1 -19 22 8  f 72.16372 3.301868 258.0951       23.26122 207.0626       38.18986 288.1949       29.32957 63.59102 6.214680 76.06198 3.952980 -12.47096      7.365345 
1 1 1 -19 22 9  o 58.29032 3.705764 169.2096       21.03420 173.4000       40.74295 167.6869       24.56037 57.58603 7.398949 57.83249 4.371032 -0.2464561     8.593624 
1 1 1 -19 22 10 o 57.95771 4.080151 167.9447       22.99903 131.0247       33.51644 200.8000       31.61764 50.09510 7.028352 63.01314 5.171627 -12.91803      8.726022 
1 1 1 -19 22 11 o 51.13626 4.283624 131.2746       21.24422 111.0606       31.78262 147.6000       28.56244 45.90212 7.319398 53.82394 5.498595 -7.921814      9.154678 
1 1 1 -19 22 12 o 67.95277 3.440293 229.4124       22.80833 169.0988       36.19611 269.1324       29.37371 57.14385 6.591894 73.38866 4.105427 -16.24481      7.765797 
1 1 1 -19 22 13 o 71.53249 3.300904 253.9420       23.04996 245.1053       38.00035 259.0860       28.99262 69.35944 5.646059 71.97477 4.132669 -2.615334      6.996923 
1 1 1 -19 22 14 o 44.52047 4.249301 99.81036       18.29316 108.8000       35.38994 96.53267       21.36942 44.84148 8.370728 43.50497 5.115863 1.336514       9.810256 
1 1 1 -19 22 15 o 33.83058 5.481972 59.27430       17.53246 102.6000       33.76880 43.28553       20.51400 43.53751 8.225382 28.34317 7.337504 15.19434       11.02252 
1 1 1 -19 22 16 o 21.85311 6.775331 24.76704       15.99081 6.501260       27.17239 34.44452       19.77835 19.73872 8.296515 25.40515 7.462973 -5.666424      11.15922 
1 1 1 -19 22 17 o 51.43113 4.060992 132.8128       20.27815 127.5486       33.14132 135.9629       25.63742 49.16470 7.091433 51.65718 5.138407 -2.492474      8.757377 
1 1 1 -19 22 18 o 60.30202 3.748960 181.7825       22.01890 216.6978       35.86586 160.6628       27.89442 65.00563 5.694127 56.15939 5.131075 8.846245       7.664921 
1 1 1 -19 22 19 o 51.40145 4.164221 133.0701       20.77225 113.3408       32.34884 146.9131       27.09683 46.01533 7.435521 53.60200 5.231026 -7.586674      9.091238 
1 1 1 -19 22 20 o 15.65355 6.912255 -3.767250      20.76088 -7.362062      26.14335 2.370000       34.15939 17.01788 7.620392 20.84270 9.041952 -3.824821      11.82486 
1 1 1 -19 22 21 o 21.10154 7.813920 20.06004       21.41403 40.56870       27.49170 -11.58000      34.14692 27.34435 8.931209 18.92346 8.570050 8.420891       12.37789 
1 1 1 -19 22 22 o 66.43395 4.403484 223.2503       28.47310 206.8655       36.20832 249.8000       46.09110 63.11470 5.930488 68.69096 6.950603 -5.576260      9.136825 
1 1 1 -19 22 23 o 31.18974 7.431692 53.67190       22.36448 62.96891       28.75998 39.45000       35.57096 33.26438 8.726040 27.44146 10.08680 5.822922       13.33744 
1 1 1 -19 22 24 o 24.39155 8.133734 31.97006       22.76212 14.56000       29.31128 58.42000       36.12825 21.36479 8.765572 31.51832 10.23453 -10.15352      13.47519 
1 1 1 -19 22 25 o 29.33627 7.694158 48.38613       22.36298 33.94917       27.46927 76.76000       38.50956 25.19498 8.915282 35.51410 10.40845 -10.31911      13.70468 
1 1 1 -19 22 26 o 41.86173 6.019579 93.38336       23.95713 69.71931       29.53535 138.9000       40.96214 34.58300 8.726548 49.13320 8.842402 -14.55020      12.42339 
1 1 1 -19 22 27 o 38.13236 6.423538 78.87364       23.12465 89.75260       28.73784 58.89000       38.94913 39.98467 7.620803 30.97069 10.63781 9.013977       13.08586 
1 1 1 -19 22 28 o 49.99105 5.318130 131.0004       25.62407 118.2451       31.34442 156.7000       44.49178 46.28490 7.148581 51.69254 9.126771 -5.407631      11.59311 
1 1 1 -19 22 29 o 27.49714 8.911453 44.43983       27.39864 44.43983       27.39864 0.000000       0.000000 27.49714 8.911453 ?        ?        ?              ?        
1 1 1 -19 22 30 o 48.21102 5.631605 123.4644       26.07567 112.4246       31.35932 148.2000       46.94043 44.74906 7.419120 48.97632 10.12628 -4.227257      12.55328 
1 1 1 -19 22 31 o 15.14602 6.827356 -5.779340      21.37659 -0.4280173     25.39503 -18.79000      39.59750 17.29527 7.640703 18.81075 8.771928 -1.515482      11.63302 
1 1 1 -19 22 32 o 14.47997 6.554126 -6.490080      19.93928 0.1388000E-01  28.36534 -12.84315      28.03438 18.14662 8.043120 16.31739 7.529684 1.829229       11.01762 
1 1 1 -19 22 33 o 33.56174 6.333663 62.34874       20.04420 49.32379       27.53602 77.02919       29.23363 28.44264 8.902293 35.87678 8.462646 -7.434137      12.28280 
1 1 1 -19 22 34 o 42.14825 5.060889 93.99977       20.46202 109.6865       28.73957 77.87297       29.13992 44.28294 6.851385 36.03002 8.415571 8.252922       10.85188 
1 1 1 -19 22 35 o 24.85567 7.237062 35.75179       18.67107 31.21194       25.91350 40.65310       26.92532 23.55298 8.617204 25.98441 8.846826 -2.431435      12.35000 
1 1 1 -19 22 36 o 15.56006 6.666426 3.722075       18.12330 13.50177       24.61802 -7.849468      26.77849 19.28384 7.984576 16.35965 7.478666 2.924189       10.94001 
1 1 1 -19 22 37 o 16.86173 6.913002 9.695472       18.21398 8.629303       24.79410 10.94530       26.84485 18.28977 7.815721 19.15820 8.158004 -0.8684292     11.29772 
1 1 1 -19 22 38 o 21.98480 7.339810 27.84178       18.53448 25.98842       25.20189 30.02511       27.35355 21.90518 8.395812 23.01348 8.764928 -1.108303      12.13728 
1 1 1 -19 22 39 o 27.77565 7.037456 45.27557       19.15280 44.55213       26.27210 46.09618       27.98089 26.62802 8.732869 26.91850 9.018859 -0.2904797     12.55400 
1 1 1 -19 22 40 o 17.89606 7.187888 13.28062       19.22759 20.11575       26.13470 5.215599       28.38879 20.66131 8.351244 18.44048 8.115288 2.220831       11.64479 
1 1 1 -19 22 41 o 19.43942 7.790572 17.20338       22.53501 -1.627983      26.42970 67.35000       43.12926 16.92665 7.614097 30.31491 11.11286 -13.38827      13.47109 
1 1 1 -19 22 42 o 12.27290 5.934928 -27.45918      21.73424 -23.52299      25.86732 -36.91000      40.08191 14.08406 6.722090 16.73753 8.085567 -2.653472      10.51489 
1 1 1 -19 22 43 o 22.36713 8.493402 28.53151       25.63771 39.15000       32.72201 11.65000       41.25856 24.99611 9.570226 21.49753 9.603517 3.498583       13.55790 
1 1 1 -19 22 44 o 19.74636 7.927855 18.54964       23.38022 5.754958       28.11272 47.25000       42.10483 18.30393 8.064681 26.42238 10.62823 -8.118450      13.34161 
1 1 1 -19 22 45 o 47.59366 5.771189 125.1467       26.33699 135.3311       32.34237 105.1000       45.37591 48.22550 7.060695 37.16333 11.39412 11.06217       13.40445 
1 1 1 -19 22 46 o 23.28506 8.364889 33.54129       24.27143 26.47839       29.61875 47.98000       42.34864 21.95752 8.884972 26.21070 10.61754 -4.253185      13.84467 
1 1 1 -19 22 47 o 26.38105 8.442873 45.58172       24.64487 26.90971       29.98950 84.42000       43.25175 21.88269 8.908829 32.42929 11.20706 -10.54660      14.31662 
1 1 1 -19 22 48 o 17.01129 7.453458 6.064272       23.70898 -14.53405      28.71130 50.22000       42.03688 15.51205 7.308320 25.93288 10.55134 -10.42084      12.83520 
1 1 1 -19 23 1  o 53.83678 3.586588 144.3075       18.79243 84.31478       35.64010 167.4104       22.11682 39.07663 9.427257 57.90974 3.924991 -18.83311      10.21170 
1 1 1 -19 23 2  o 66.76409 3.320554 221.1163       21.63190 212.2004       39.34318 224.9796       25.89781 64.27979 6.335263 67.15872 3.957159 -2.878929      7.469583 
1 1 1 -19 23 3  o 34.45623 4.747792 60.46599       15.58754 33.62605       32.29004 68.62097       17.79875 26.56574 9.634233 36.64115 5.100749 -10.07541      10.90120 
1 1 1 -19 23 4  o 22.22705 6.244481 25.87282       14.14419 30.09187       30.50492 24.71736       15.96394 25.49814 9.346167 21.90916 6.765735 3.588985       11.53802 
1 1 1 -19 23 5  o 30.69910 5.294969 48.68774       15.33631 -6.664966      30.26875 67.80551       17.78867 18.66617 8.289074 36.40136 5.134999 -17.73519      9.750741 
1 1 1 -19 23 6  o 43.99152 4.034954 97.09534       17.18122 91.80463       32.91701 99.07647       20.14275 41.16315 8.452895 44.24450 4.724078 -3.081345      9.683406 
1 1 1 -19 23 7  o 37.28727 4.485079 70.43234       16.04128 81.44240       31.11721 66.44738       18.72051 38.69792 8.452179 35.89937 5.502679 2.798553       10.08557 
1 1 1 -19 23 8  o 24.15212 6.157119 30.82697       14.59763 31.00974       29.78230 30.76918       16.74730 25.53281 9.253561 24.12021 6.801365 1.412605       11.48421 
1 1 1 -19 23 9  o 19.60843 6.897090 17.94245       16.42136 -22.18452      28.65244 37.57000       20.03901 16.09289 7.490180 26.50018 7.428294 -10.40728      10.54904 
1 1 1 -19 23 10 o 52.50660 4.594227 139.0876       23.37436 129.9000       39.34241 144.1000       29.05914 49.02767 8.506391 53.04049 5.685810 -4.012821      10.23167 
1 1 1 -19 23 11 f 34.61230 4.934952 61.36003       16.24640 84.09228       30.30759 52.19407       19.24506 39.38113 8.131900 31.39472 6.477621 7.986406       10.39651 
1 1 1 -19 23 12 o 64.13597 4.010159 205.8610       25.04902 186.8857       36.53093 222.7000       34.41317 60.12975 6.300191 66.15670 5.360154 -6.026955      8.271859 
1 1 1 -19 23 13 o 20.67311 6.718739 21.62034       15.56806 49.66000       32.03880 12.95354       17.81227 30.14533 9.624189 18.41726 7.058537 11.72806       11.93516 
1 1 1 -19 23 14 o 30.05778 5.883083 47.48087       16.68892 79.54000       33.19341 36.63513       19.30659 37.79004 9.085918 26.11558 7.280660 11.67446       11.64311 
1 1 1 -19 23 15 o 28.54052 6.213948 43.23360       16.86609 35.97527       29.09475 46.90726       20.69882 26.46630 9.189382 29.46207 7.232003 -2.995764      11.69387 
1 1 1 -19 23 16 o 16.48180 6.590390 8.027672       16.08923 12.54218       26.83221 5.493234       20.10444 20.72203 8.430359 17.26089 7.187100 3.461136       11.07815 
1 1 1 -19 23 17 o 16.94613 6.697976 9.371964       16.43410 1.833690       26.52965 14.06584       20.93444 18.61944 8.022598 19.48910 7.602454 -0.8696594     11.05257 
1 1 1 -19 23 18 o 38.30172 5.207671 75.67690       19.01873 93.30262       30.98130 65.01794       24.09261 41.35037 7.943064 34.62542 7.336909 6.724949       10.81307 
1 1 1 -19 23 19 o 69.46362 3.632081 241.2226       24.60978 241.6238       39.40746 240.9662       31.50945 68.33550 5.950788 68.94398 4.697208 -0.6084824     7.581269 
1 1 1 -19 23 20 o 26.45536 7.079823 38.15466       18.69383 45.14388       29.23118 33.31816       24.31631 28.50001 9.202022 25.05984 8.407697 3.440163       12.46461 
1 1 1 -19 23 21 o 55.03477 5.018703 155.3802       26.73838 149.8262       33.98775 164.4000       43.31314 53.11794 6.684645 54.52325 8.383909 -1.405319      10.72261 
1 1 1 -19 23 22 o 63.06047 4.602081 202.6505       28.21094 208.7357       35.74509 192.6000       45.93842 63.25772 5.838788 59.07729 8.162016 4.180428       10.03543 
1 1 1 -19 23 23 o 47.28135 5.424045 116.5402       24.64864 115.2615       30.84379 118.8000       41.00323 46.08466 7.062363 45.03129 9.596171 1.053371       11.91484 
1 1 1 -19 23 24 o 26.62323 7.957366 40.00697       22.32889 42.61214       27.72701 35.20000       37.66355 27.33596 8.971768 26.34909 10.22005 0.9868717      13.59934 
1 1 1 -19 23 25 o 40.77916 6.165336 89.28891       23.84190 81.36613       29.50367 104.2000       40.47547 37.64592 8.236212 41.27638 10.10158 -3.630455      13.03369 
1 1 1 -19 23 26 o 11.60913 5.642585 -31.36269      20.30472 -20.59140      24.29881 -56.29000      36.96484 14.30244 6.733758 15.25414 7.457830 -0.9516964     10.04802 
1 1 1 -19 23 27 o 18.70661 7.634426 11.55147       22.08819 -3.652768      26.36479 47.35000       40.45522 17.18324 7.676504 28.42969 10.69736 -11.24645      13.16671 
1 1 1 -19 23 28 o 33.77704 8.777727 68.16864       29.28233 68.16864       29.28233 0.000000       0.000000 33.77704 8.777727 ?        ?        ?              ?        
1 1 1 -19 23 29 o 50.13543 5.400359 132.7784       26.08419 138.8937       31.44967 119.3000       46.69038 50.47788 6.517084 42.70667 11.07670 7.771214       12.85168 
1 1 1 -19 23 30 o 47.72297 7.949351 130.6259       35.82786 115.7000       62.59042 137.9000       43.69452 38.91742 13.48008 47.36646 9.749481 -8.449039      16.63625 
1 1 1 -19 23 31 o 21.20611 7.533533 23.85296       19.63112 32.53000       28.69701 16.22074       26.91389 24.28814 9.035873 20.55595 8.412691 3.732193       12.34587 
1 1 1 -19 23 32 o 18.82867 7.185570 16.39996       18.40757 13.01852       25.31098 20.19629       26.81887 19.51048 8.088898 21.25027 8.504786 -1.739788      11.73719 
1 1 1 -19 23 33 o 21.63349 7.295539 26.00889       18.30759 14.29727       25.53581 38.39527       26.26111 19.74674 8.149911 25.41576 8.734758 -5.669022      11.94642 
1 1 1 -19 23 34 o 22.59826 7.230238 29.07716       18.07482 33.79549       25.89121 24.59165       25.24437 24.16600 8.644478 21.87168 8.397829 2.294325       12.05199 
1 1 1 -19 23 35 o 18.73870 7.081708 17.04202       17.77310 0.6230388      25.25639 33.14900       25.01527 17.12494 7.589953 23.82689 8.499929 -6.701956      11.39545 
1 1 1 -19 23 36 o 12.47963 5.809985 -11.40759      17.25759 -25.72938      23.34606 5.846211       25.62461 13.08794 6.283785 17.98077 7.815607 -4.892837      10.02844 
1 1 1 -19 23 37 o 36.89691 5.660583 74.66080       19.79200 66.82126       27.78556 82.73553       28.19926 32.64291 8.583646 36.98923 8.020112 -4.346329      11.74739 
1 1 1 -19 23 38 o 23.84638 7.371661 33.66869       18.94557 25.69256       26.23139 42.36654       27.39246 21.89867 8.519261 25.95494 8.920894 -4.056269      12.33532 
1 1 1 -19 23 39 o 14.33959 6.425530 -2.874115      18.62253 -36.57901      25.72306 34.24765       26.99544 12.86587 6.275194 23.87078 8.785012 -11.00492      10.79604 
1 1 1 -19 23 40 o 24.99176 9.622077 38.73424       33.20430 38.85000       53.11852 38.66000       42.53983 25.91261 11.25810 25.34951 10.49603 0.5631008      15.39193 
1 1 1 -19 23 41 o 23.51442 8.612744 33.24868       25.89779 132.3000       52.59107 1.540171       29.75567 41.13998 12.19164 18.13418 8.124323 23.00581       14.65062 
1 1 1 -19 23 42 o 25.98325 9.419890 43.82643       30.86589 0.000000       0.000000 43.82643       30.86589 ?        ?        25.98325 9.419890 ?              ?        
1 1 1 -19 23 43 o 18.56852 8.024446 9.387146       26.69642 -35.72000      53.23024 24.54578       30.85786 19.19068 9.282110 21.88534 8.988109 -2.694666      12.92067 
1 1 1 -19 23 44 o 13.60842 6.558875 -28.19785      26.01011 -58.16000      52.35277 -18.37839      29.97070 17.73005 8.710745 15.72393 7.426014 2.006123       11.44652 
1 1 1 -19 23 45 o 18.64437 8.033772 10.70215       26.60636 21.19000       52.67256 7.109446       30.82848 23.33895 10.59911 18.89718 8.379937 4.441774       13.51164 
1 1 1 -19 23 46 o 14.65427 6.939752 -17.83856      26.51176 47.42000       52.06599 -40.68150      30.80431 25.85473 11.18981 13.87848 6.790104 11.97625       13.08883 
1 1 1 -19 23 47 o 21.59631 8.561750 27.63647       26.92761 9.559000       51.96911 34.27105       31.48354 21.62835 10.07361 23.12630 9.228472 -1.497952      13.66171 
1 1 1 -19 24 1  o 43.21764 4.101150 93.92454       17.14131 31.77148       34.30089 114.6128       19.78956 26.32701 9.861910 47.72281 4.281936 -21.39580      10.75138 
1 1 1 -19 24 2  o 53.83749 3.694436 144.6804       19.35079 80.56337       36.56325 169.6267       22.80665 37.87879 9.790762 58.21061 4.027533 -20.33181      10.58679 
1 1 1 -19 24 3  o 42.68993 4.263114 91.86626       17.57591 58.30767       34.70366 103.4436       20.38342 32.42805 9.968608 45.19652 4.674911 -12.76847      11.01036 
1 1 1 -19 24 4  o 69.16120 3.403997 237.7283       22.97320 174.3678       39.96518 268.9966       28.07524 57.62867 7.244665 73.39958 3.921962 -15.77091      8.238140 
1 1 1 -19 24 5  o 67.46418 3.427017 226.3080       22.55645 154.0037       38.70236 263.5021       27.75828 53.95298 7.533639 72.63918 3.918557 -18.68620      8.491808 
1 1 1 -19 24 6  f 80.68472 3.300239 323.1541       26.00910 273.3924       43.13305 351.5855       32.60333 72.96262 6.095172 83.89970 3.981403 -10.93709      7.280295 
1 1 1 -19 24 7  o 31.59091 6.221760 52.62364       18.55408 20.40789       31.96698 68.99000       22.78472 23.56444 9.332841 36.11085 6.692525 -12.54641      11.48442 
1 1 1 -19 24 8  o 28.29749 6.458385 42.62742       17.49307 26.20068       29.93023 51.15000       21.55856 24.35632 9.193205 30.80465 7.268060 -6.448328      11.71920 
1 1 1 -19 24 9  o 60.56617 4.174573 184.0961       24.59708 136.1110       36.81190 222.8000       33.06073 50.52542 7.685299 66.24883 5.138478 -15.72340      9.244879 
1 1 1 -19 24 10 o 52.78873 3.820097 139.4837       19.60531 127.3634       34.93822 145.0541       23.68594 48.90199 7.541227 53.58979 4.558695 -4.687794      8.812026 
1 1 1 -19 24 11 o 41.27611 4.465106 86.34612       17.75314 79.64986       32.12619 89.28996       21.30098 37.89962 8.825296 41.68256 5.343576 -3.782944      10.31696 
1 1 1 -19 24 12 o 96.40488 3.541491 462.6629       33.36204 507.3000       64.42286 446.3054       38.99871 98.85641 6.697310 94.34211 4.233958 4.514305       7.923406 
1 1 1 -19 24 13 o 51.55487 4.883257 135.2007       24.34879 139.2000       40.29229 132.9000       30.56000 50.53574 8.443146 50.48124 6.322996 0.5449677E-01  10.54832 
1 1 1 -19 24 14 o 36.22712 5.398173 68.01296       18.55837 61.73752       30.82277 71.58173       23.24384 33.10464 9.188149 36.66172 6.724974 -3.557083      11.38628 
1 1 1 -19 24 15 o 46.08232 4.295864 107.4163       19.15397 62.00729       31.63778 133.6898       24.06549 33.09081 9.354160 51.23237 4.856930 -18.14156      10.53993 
1 1 1 -19 24 16 o 24.98874 6.858779 33.66254       17.28288 43.84196       29.02135 28.06853       21.51382 28.28154 9.172014 23.37304 7.908559 4.908497       12.11079 
1 1 1 -19 24 17 o 11.74689 5.535637 -16.56084      16.48870 -7.934139      27.89126 -21.19560      20.44371 17.45827 7.840104 12.92333 6.112306 4.534935       9.941203 
1 1 1 -19 24 18 o 79.89570 3.483416 318.8917       27.17628 327.5858       43.21826 313.2057       34.95094 79.73743 5.572382 78.61151 4.561799 1.125923       7.201489 
1 1 1 -19 24 19 o 25.33371 7.115141 35.08451       18.36625 26.04469       28.87103 41.22960       23.80382 23.70874 9.010682 27.23141 8.233392 -3.522676      12.20578 
1 1 1 -19 24 20 o 29.96846 6.489303 48.69403       18.48338 48.44182       28.75683 48.87158       24.12729 29.13099 9.094470 29.44113 8.113003 -0.3101349     12.18730 
1 1 1 -19 24 21 f 41.48349 5.045626 89.25432       20.06700 58.37759       29.89996 114.5606       27.06882 31.63435 9.142879 46.50737 6.092589 -14.87301      10.98690 
1 1 1 -19 24 22 o 37.18156 6.791140 75.43307       23.80544 44.49009       29.44711 133.8000       40.44315 27.85236 9.250360 48.23594 8.893378 -20.38358      12.83204 
1 1 1 -19 24 23 o 36.26783 7.009642 72.70842       23.98372 49.53348       30.02031 113.6000       39.87703 28.98542 9.322403 43.58752 9.605987 -14.60210      13.38589 
1 1 1 -19 24 24 o 34.03536 7.302167 65.02219       23.59813 50.37885       29.22261 92.47000       40.00856 29.15045 9.177545 38.46408 10.38546 -9.313635      13.85948 
1 1 1 -19 24 25 o 62.02916 6.461663 207.3329       38.65805 206.5000       64.48927 207.8000       48.29765 55.96273 12.12401 60.28131 8.414301 -4.318581      14.75778 
1 1 1 -19 24 26 o 42.88148 7.712474 104.2340       31.18194 104.2340       31.18194 0.000000       0.000000 42.88148 7.712474 ?        ?        ?              ?        
1 1 1 -19 24 27 o 29.11651 9.183944 51.22892       29.25052 51.22892       29.25052 0.000000       0.000000 29.11651 9.183944 ?        ?        ?              ?        
1 1 1 -19 24 28 o 45.20024 5.906434 109.9014       25.50744 82.31097       30.18567 178.8000       47.70088 37.29885 8.462818 54.62648 9.250895 -17.32763      12.53788 
1 1 1 -19 24 29 o 36.66577 8.459466 79.79201       29.74295 0.000000       0.000000 79.79201       29.74295 ?        ?        36.66577 8.459466 ?              ?        
1 1 1 -19 24 30 o 15.76840 6.813164 2.331779       19.23839 -8.382000      28.19820 11.66148       26.31382 16.87122 7.697959 19.50866 8.179840 -2.637434      11.23247 
1 1 1 -19 24 31 o 12.84752 5.954336 -11.20776      17.81354 -0.8433236     24.62422 -22.58674      25.80129 16.85786 7.481744 14.40313 6.828254 2.454730       10.12924 
1 1 1 -19 24 32 o 13.68552 6.179186 -5.246468      17.59407 -15.42732      24.26170 6.046035       25.55195 14.65620 6.845034 18.18459 7.854520 -3.528392      10.41864 
1 1 1 -19 24 33 o 12.51359 5.810537 -11.10951      17.08571 -18.75067      23.69710 -2.836671      24.65716 14.04958 6.625504 16.47393 7.386899 -2.424350      9.922882 
1 1 1 -19 24 34 o 27.93055 8.113194 47.51046       23.49027 -30.77000      54.69648 65.21381       26.01120 20.26244 9.699106 32.77502 8.143888 -12.51258      12.66474 
1 1 1 -19 24 35 o 18.08880 7.533727 11.02001       22.09851 29.27000       51.94305 6.986821       24.41857 25.01202 10.99333 17.86693 7.697561 7.145090       13.42035 
1 1 1 -19 24 36 o 22.18459 8.171892 27.98569       23.36767 75.34000       51.45315 15.68057       26.22861 31.14887 11.98166 19.80256 8.224216 11.34632       14.53265 
1 1 1 -19 24 37 o 21.57597 8.244396 25.23985       24.25190 -1.352000      52.51705 32.44766       27.34183 21.91468 10.17967 23.49819 8.804317 -1.583517      13.45889 
1 1 1 -19 24 38 o 46.45008 6.087264 119.9738       27.01136 92.63000       55.59438 128.4233       30.90424 33.33290 12.54066 47.33960 6.869860 -14.00669      14.29906 
1 1 1 -19 24 39 o 18.50968 8.238203 3.612884       30.07020 19.60000       51.08956 -4.861000      37.19532 23.57467 10.59691 18.95109 8.719009 4.623581       13.72281 
1 1 1 -19 24 40 o 18.18996 7.800835 9.059556       24.86128 -37.16000      50.48828 23.85385       28.56438 18.74256 9.059169 21.60422 8.731371 -2.861660      12.58195 
1 1 1 -19 24 41 o 20.21792 8.542844 16.12980       29.05412 0.000000       0.000000 16.12980       29.05412 ?        ?        20.21792 8.542844 ?              ?        
1 1 1 -19 24 42 o 16.34459 7.427591 -3.805386      25.91941 -30.28000      51.88987 4.996362       29.91935 19.29264 9.289793 18.53419 8.235172 0.7584515      12.41444 
1 1 1 -19 24 43 o 21.65521 7.715504 27.43027       20.60490 24.32744       27.63131 31.31707       30.92564 21.45234 8.616528 23.12264 9.172635 -1.670298      12.58498 
1 1 1 -19 24 44 o 28.16198 7.470944 48.73374       20.93034 50.28794       27.90329 46.73424       31.64928 27.40935 9.000480 26.19849 9.532757 1.210857       13.11038 
1 1 1 -19 24 45 o 33.75931 6.799205 67.40591       21.68983 83.61871       29.24918 47.59817       32.32975 36.03838 8.440778 26.13775 9.614800 9.900625       12.79418 
1 1 1 -19 24 46 o 34.22538 6.728815 69.61850       21.73814 49.97785       28.74821 95.84285       33.21889 26.75129 9.140682 37.56205 9.126209 -10.81076      12.91665 
1 1 1 -19 25 1  o 74.76541 3.374837 277.9347       24.63421 219.9807       43.62665 305.0621       29.84794 64.82569 6.985555 78.12715 3.915549 -13.30146      8.008089 
1 1 1 -19 25 2  o 31.64755 7.568941 54.35452       23.13019 32.48365       35.60116 70.33000       30.42693 26.53467 10.02394 35.60662 8.785043 -9.071957      13.32878 
1 1 1 -19 25 3  o 128.8772 3.491388 825.6589       44.00277 763.8141       66.84626 872.9489       58.45342 122.4792 5.590558 131.8215 4.536964 -9.342224      7.199887 
1 1 1 -19 25 4  o 40.70699 4.457040 83.99826       17.46916 53.19854       35.32601 93.96819       20.09866 31.04762 10.12301 42.94417 4.867137 -11.89655      11.23230 
1 1 1 -19 25 5  o 44.60426 4.213984 100.3405       18.18011 115.0231       35.94784 95.29459       21.07378 46.01416 8.286020 43.16946 5.084645 2.844696       9.721715 
1 1 1 -19 25 6  o 22.91551 7.121378 27.49685       17.65437 -18.23922      32.65236 46.39000       20.98637 17.79162 8.179591 29.26773 7.339636 -11.47611      10.98981 
1 1 1 -19 25 7  o 30.38630 6.605406 49.32048       19.08466 -16.20163      33.26105 81.48000       23.30220 18.20517 8.327071 39.42599 6.246150 -21.22083      10.40935 
1 1 1 -19 25 8  o 34.65655 5.162924 61.98244       16.98031 28.48321       33.35651 73.69973       19.72771 25.30000 9.668513 37.72511 5.504560 -12.42511      11.12566 
1 1 1 -19 25 9  o 32.03640 5.395505 53.40953       16.31871 27.69951       32.15658 62.32730       18.93856 24.91503 9.499930 34.51480 5.812056 -9.599764      11.13682 
1 1 1 -19 25 10 o 28.87860 6.311924 44.49266       17.34276 28.73000       38.04241 48.62799       19.48534 26.02209 10.21966 30.06460 6.783181 -4.042509      12.26593 
1 1 1 -19 25 11 o 59.57288 3.908425 178.0428       22.66477 184.5000       45.95678 175.9675       26.05356 58.29788 8.286747 58.96973 4.548826 -0.6718483     9.453147 
1 1 1 -19 25 12 o 46.07571 4.363635 107.5424       19.44555 83.36065       33.09030 120.2982       24.03312 38.51050 8.949276 48.44538 5.146848 -9.934879      10.32374 
1 1 1 -19 25 13 o 83.56760 3.407451 347.9942       27.81390 293.0801       43.47639 386.0409       36.18843 75.30853 5.946193 87.60571 4.232706 -12.29718      7.298836 
1 1 1 -19 25 14 o 19.82751 7.099418 18.49912       17.46749 -31.74000      36.04099 33.92275       19.96958 17.28646 8.157722 25.04512 7.534375 -7.758661      11.10474 
1 1 1 -19 25 15 o 53.60942 4.632509 146.2900       24.07053 150.4315       36.17645 143.0000       32.24372 53.02032 7.153016 52.07748 6.464117 0.9428406      9.641081 
1 1 1 -19 25 16 o 11.78579 5.585763 -18.67580      17.24108 -70.26865      30.69641 5.100744       20.83854 12.66048 6.299600 17.27065 7.262703 -4.610170      9.614146 
1 1 1 -19 25 17 o 38.33110 5.393039 76.67634       19.67569 56.90664       32.73688 87.85633       24.61830 31.29013 9.693089 40.59007 6.408731 -9.299946      11.62015 
1 1 1 -19 25 18 o 54.89759 4.146618 152.7910       22.11722 117.2848       35.11634 176.1364       28.47459 45.87133 8.117986 58.50573 5.020750 -12.63440      9.545135 
1 1 1 -19 25 19 o 37.39824 5.544249 73.65376       19.68182 72.60238       31.56941 74.32224       25.17287 35.23417 9.092717 36.70076 7.264518 -1.466587      11.63833 
1 1 1 -19 25 20 o 70.74259 3.692379 252.1601       25.47930 237.4185       39.74908 262.4418       33.19614 66.98533 6.130244 71.49765 4.770694 -4.512321      7.767845 
1 1 1 -19 25 21 o 31.24365 6.528738 53.58656       19.32192 59.47923       29.78942 49.30711       25.38634 31.61734 9.122331 29.13483 8.425800 2.482513       12.41817 
1 1 1 -19 25 22 o 60.32512 4.806190 188.0358       28.14506 185.0786       35.42165 193.1000       46.35451 58.80244 6.249754 58.20664 8.376968 0.5958023      10.45146 
1 1 1 -19 25 23 o 42.48811 6.097164 97.09134       24.63162 103.2308       30.94211 86.47000       40.69831 42.77647 7.671753 36.79744 10.67630 5.979023       13.14683 
1 1 1 -19 25 24 o 14.38123 6.620645 -11.41126      21.49341 8.771852       26.05396 -54.41000      38.02835 19.10492 8.081990 15.58956 7.609389 3.515362       11.10051 
1 1 1 -19 25 25 o 19.86182 8.352230 11.24560       27.55914 11.24560       27.55914 0.000000       0.000000 19.86182 8.352230 ?        ?        ?              ?        
1 1 1 -19 25 26 o 23.35276 8.775472 28.71053       27.20517 28.71053       27.20517 0.000000       0.000000 23.35276 8.775472 ?        ?        ?              ?        
1 1 1 -19 25 27 o 38.51049 6.898601 82.84570       25.04929 52.75335       29.80053 155.3000       46.24109 29.32903 9.272344 50.25801 9.751608 -20.92899      13.45623 
1 1 1 -19 25 28 o 36.98720 6.482713 75.67703       22.61497 52.12000       32.58352 97.57245       31.41336 28.91946 9.732806 40.84105 8.143798 -11.92158      12.69051 
1 1 1 -19 25 29 o 26.27011 7.305452 39.99363       19.46468 19.98857       26.78603 62.37695       28.33353 21.17108 8.490541 31.88567 8.793818 -10.71459      12.22377 
1 1 1 -19 25 30 o 18.14043 7.113532 14.01682       18.40793 -6.558739      25.30818 37.12976       26.82334 16.17851 7.347153 25.08796 8.815678 -8.909451      11.47592 
1 1 1 -19 25 31 o 12.58252 5.853514 -11.74629      17.46584 11.05430       24.70894 -34.51550      24.69193 18.87061 7.920307 12.81645 6.227791 6.054164       10.07555 
1 1 1 -19 25 32 o 13.73856 6.465025 -17.07495      22.34801 -26.47000      52.13156 -14.95969      24.73618 20.20064 9.613775 14.81240 6.915895 5.388240       11.84290 
1 1 1 -19 25 33 o 14.29765 6.633280 -11.85930      22.19431 32.57000       52.95747 -21.32565      24.44464 25.55552 11.16966 13.93444 6.617728 11.62109       12.98290 
1 1 1 -19 25 34 o 17.76728 7.489102 9.377680       22.24072 -59.56000      51.66594 25.05786       24.64061 17.80856 8.729736 21.61231 8.297167 -3.803757      12.04372 
1 1 1 -19 25 35 o 24.01650 8.292430 34.97855       23.67809 43.85000       51.12789 32.55634       26.71572 26.47328 11.26524 23.44633 8.719200 3.026949       14.24536 
1 1 1 -19 25 36 o 18.36231 7.738240 10.87215       23.73686 -41.94000      50.77167 25.64454       26.85221 18.61221 9.017363 21.90890 8.591488 -3.296690      12.45498 
1 1 1 -19 25 37 o 23.66863 8.445709 33.93885       24.69877 63.43000       52.88735 25.71292       27.93177 28.96880 11.81682 21.94091 8.712993 7.027885       14.68174 
1 1 1 -19 25 38 o 24.81400 7.747326 37.50955       20.86802 36.61455       25.12535 39.50000       37.46942 24.34616 8.533860 25.15634 10.05788 -0.8101845     13.19044 
1 1 1 -19 25 39 o 22.29545 7.419761 29.33964       18.94330 23.53397       25.57984 36.39042       28.18966 21.17096 8.359980 24.24546 8.967631 -3.074503      12.26000 
1 1 1 -19 25 40 o 19.78157 7.631349 20.14145       20.91601 6.241000       29.84327 33.56145       29.32300 18.75585 8.284566 23.61119 9.054625 -4.855331      12.27275 
1 1 1 -19 25 41 o 31.88536 6.705520 59.31160       20.26335 38.41329       27.28151 85.02781       30.26330 24.58439 8.863751 36.52180 8.607446 -11.93741      12.35533 
1 1 1 -19 25 42 o 22.10600 7.690536 29.08257       20.38265 24.51819       27.26322 34.86690       30.69115 21.42291 8.574590 23.79170 9.226358 -2.368792      12.59561 
1 1 1 -19 25 43 o 18.98132 7.436128 18.12267       20.09908 54.42693       26.70517 -29.31032      30.52508 28.68915 8.730458 14.74645 7.106870 13.94270       11.25738 
1 1 1 -19 25 44 o 35.96803 6.332597 74.70437       21.48091 110.3643       29.14641 32.30494       31.78154 42.97815 7.181588 22.97591 9.236656 20.00223       11.70004 
1 1 1 -19 25 45 o 19.27391 7.465386 20.17018       20.07531 31.91022       26.24692 3.619837       31.16354 22.49183 8.581082 18.15951 8.209188 4.332327       11.87543 
1 1 1 -19 25 46 o 10.69382 5.298593 -39.47609      20.84099 -35.26274      24.28810 -51.24000      40.58408 12.20318 5.982697 15.32734 7.557260 -3.124154      9.638715 
1 1 1 -19 26 1  o 32.11034 5.416771 53.74101       16.42004 56.46139       36.27455 53.03996       18.41465 31.62869 10.25407 31.63223 6.169062 -0.3543854E-02 11.96676 
1 1 1 -19 26 2  o 34.94427 7.221797 65.98334       23.88463 82.25195       36.75345 54.09000       31.42495 37.86441 9.830971 31.03145 9.476013 6.832960       13.65441 
1 1 1 -19 26 3  o 111.3547 3.426376 617.2170       37.30204 529.3668       57.93016 679.4421       48.75461 101.4903 5.856285 116.2890 4.290582 -14.79868      7.259832 
1 1 1 -19 26 4  o 21.36053 7.290329 22.78820       18.28621 -41.49028      35.06982 46.79000       21.43003 16.18188 7.751340 29.27175 7.459018 -13.08987      10.75733 
1 1 1 -19 26 5  o 49.96252 4.780132 127.0716       23.09237 80.79038       37.89907 154.4000       29.12282 37.36933 10.11570 54.78633 5.505231 -17.41700      11.51673 
1 1 1 -19 26 6  o 49.81488 4.738076 126.2769       22.82509 80.34388       37.77096 152.7000       28.64757 37.25045 10.10497 54.50148 5.442696 -17.25103      11.47752 
1 1 1 -19 26 7  o 50.05546 4.034480 126.2039       19.59987 117.4174       36.59885 129.7371       23.20844 46.19791 8.403001 50.48339 4.752597 -4.285477      9.653891 
1 1 1 -19 26 8  o 59.25845 3.677111 175.8184       21.22356 170.3572       38.87778 178.1368       25.33106 56.59861 7.178885 59.36829 4.390118 -2.769676      8.414840 
1 1 1 -19 26 9  o 24.13283 6.750713 31.32946       16.56818 -14.01000      39.18116 41.20199       18.28325 19.99658 9.104717 27.58418 6.812401 -7.587599      11.37122 
1 1 1 -19 26 10 o 33.36264 5.874660 58.68121       18.48402 12.85000       40.38698 70.82487       20.78909 23.68814 10.04348 36.67495 5.998240 -12.98681      11.69831 
1 1 1 -19 26 11 o 27.41783 6.606770 40.68476       17.52037 10.42946       32.84614 52.71637       20.71313 21.61895 9.106259 31.14015 6.969657 -9.521206      11.46735 
1 1 1 -19 26 12 o 26.37146 6.714375 37.81025       17.37493 43.72989       32.41888 35.42461       20.58033 28.19090 9.704330 25.45978 7.646379 2.731119       12.35480 
1 1 1 -19 26 13 o 15.82011 6.564588 5.081284       16.69061 17.06273       31.63301 0.4588162      19.64821 22.39554 9.137625 15.90738 6.879301 6.488164       11.43770 
1 1 1 -19 26 14 o 18.19402 6.904242 13.80875       16.93462 17.36824       31.77935 12.39715       20.01278 22.42873 9.155869 18.63591 7.383294 3.792822       11.76193 
1 1 1 -19 26 15 o 41.24400 4.931417 87.90971       19.51441 43.83472       34.61699 108.4404       23.62624 28.09208 10.00143 45.63763 5.392959 -17.54555      11.36277 
1 1 1 -19 26 16 o 56.10065 4.278911 160.1086       23.31945 190.9000       45.41196 149.0814       27.17618 58.59417 8.137197 53.61772 5.245157 4.976452       9.681200 
1 1 1 -19 26 17 o 20.37973 7.734220 18.65209       21.25177 34.18746       31.41313 5.541000       28.85824 25.52479 9.461769 19.50833 8.385984 6.016462       12.64317 
1 1 1 -19 26 18 o 34.38767 6.068750 63.64543       19.68066 59.23819       32.55794 66.18308       24.70523 31.40462 9.655787 34.28597 7.564690 -2.881348      12.26616 
1 1 1 -19 26 19 o 43.40709 5.041682 98.30909       21.02306 110.9926       34.30056 90.67768       26.60626 44.05103 8.258305 40.58881 6.946449 3.462223       10.79133 
1 1 1 -19 26 20 f 63.22945 3.968498 203.1617       24.43746 182.9649       37.74045 217.7434       32.06790 58.00727 6.774281 64.70232 5.104752 -6.695042      8.482297 
1 1 1 -19 26 21 o 12.44134 5.870436 -17.42383      18.65206 -51.53968      27.85497 10.30717       25.11351 12.73904 6.277219 19.19321 8.015332 -6.454175      10.18082 
1 1 1 -19 26 22 o 37.67794 5.969690 76.60014       21.28331 62.25795       30.90091 89.54472       29.35672 31.95043 9.312435 39.54542 7.861067 -7.594990      12.18679 
1 1 1 -19 26 23 o 50.95074 5.510386 137.5599       27.04461 139.6946       33.70328 133.7000       45.32041 50.18439 7.055735 46.14626 10.29527 4.038136       12.48102 
1 1 1 -19 26 24 o 26.42417 9.291954 41.02319       29.80374 41.02319       29.80374 0.000000       0.000000 26.42417 9.291954 ?        ?        ?              ?        
1 1 1 -19 26 25 o 14.25196 6.631752 -14.43848      22.44003 -10.89536      26.91327 -22.52000      40.64626 16.20934 7.442547 18.63017 8.751842 -2.420826      11.48853 
1 1 1 -19 26 26 o 47.05736 8.227227 129.1441       36.51646 105.7000       60.32880 142.7000       45.87470 37.13626 13.20512 47.55433 10.16374 -10.41807      16.66363 
1 1 1 -19 26 27 o 16.22011 7.245187 -2.755217      23.47638 -27.49000      28.86482 45.58000       40.35029 14.90724 7.111079 27.41534 10.59331 -12.50810      12.75875 
1 1 1 -19 26 28 o 62.09328 5.003331 202.7537       30.15229 124.7000       61.36137 227.6003       34.62038 39.65219 13.35636 65.38370 5.459268 -25.73151      14.42900 
1 1 1 -19 26 29 o 15.78037 6.729469 4.344885       18.31346 -46.25549      25.19377 61.03735       26.66729 12.05346 5.945192 31.61277 8.454142 -19.55930      10.33527 
1 1 1 -19 26 30 f 18.22201 7.643140 9.937123       22.98692 -6.846000      53.74749 13.69420       25.43003 22.07236 10.26830 19.50766 8.099576 2.564697       13.07827 
1 1 1 -19 26 31 o 22.36042 8.163369 28.10419       23.23723 89.48000       54.01519 14.16575       25.74094 33.76090 12.42636 19.56168 8.137729 14.19922       14.85386 
1 1 1 -19 26 32 o 14.86552 6.810222 -7.895688      22.36375 -15.31000      50.12734 -6.053220      24.98844 20.45782 9.644061 15.94429 7.264068 4.513532       12.07372 
1 1 1 -19 26 33 o 31.76028 7.728792 60.89236       23.79598 19.76000       51.84176 71.87192       26.78430 23.81096 10.69120 34.26461 8.112382 -10.45365      13.42060 
1 1 1 -19 26 34 o 22.53361 8.238523 29.52674       23.67979 65.83000       51.89113 19.97851       26.61227 29.45236 11.81555 20.64640 8.397170 8.805958       14.49550 
1 1 1 -19 26 35 o 12.52432 5.830643 -11.14521      17.37883 -11.39467      23.53704 -10.84620      25.76908 14.73090 6.833147 15.49352 7.174000 -0.7626181     9.907480 
1 1 1 -19 26 36 o 27.69381 7.127516 45.67316       19.43363 52.44679       26.47759 37.76284       28.61308 28.55189 8.694082 24.58630 9.045068 3.965593       12.54593 
1 1 1 -19 26 37 o 24.55274 8.067621 37.16825       22.41750 51.12575       28.13494 12.90000       37.09893 27.92709 9.028743 20.96488 9.249619 6.962204       12.92570 
1 1 1 -19 26 38 o 37.54099 5.829234 78.37417       20.72574 62.02361       29.53920 94.22823       29.08726 30.60096 9.153852 39.47180 7.805181 -8.870840      12.02971 
1 1 1 -19 26 39 o 19.30576 7.580943 18.32076       20.93109 36.69000       32.43589 5.213157       27.39944 24.32784 9.470798 18.05181 7.957334 6.276026       12.36993 
1 1 1 -19 26 40 o 27.56311 7.463032 46.45222       20.62546 36.27248       28.51969 57.61452       29.86436 24.02954 8.994311 29.17767 9.289264 -5.148125      12.93012 
1 1 1 -19 26 41 o 14.92428 6.640713 -0.5588896     19.52602 6.053749       26.44806 -8.481249      28.94901 17.88644 7.853515 16.48746 7.623524 1.398983       10.94513 
1 1 1 -19 26 42 o 45.20881 5.118813 111.1878       22.25350 82.39929       29.96719 146.5802       33.22705 35.59200 8.680675 49.96528 6.984430 -14.37328      11.14165 
1 1 1 -19 26 43 o 23.85980 7.597522 35.57003       19.97650 20.68822       26.38439 55.56070       30.57967 20.25234 8.313586 28.08951 9.428591 -7.837173      12.57036 
1 1 1 -19 26 44 o 15.13566 6.679985 2.074801       19.36435 7.421536       25.21577 -5.611033      30.23246 17.50773 7.678369 16.81008 7.779017 0.6976490      10.93025 
1 1 1 -19 26 45 o 25.46295 8.102553 42.99192       22.72370 34.02672       26.50796 67.84000       44.13089 22.78056 8.639607 28.20401 11.02765 -5.423450      14.00899 
1 1 1 -19 27 1  o 57.00429 3.808262 163.2080       21.12722 101.3826       40.94011 185.6490       24.66528 41.66515 10.13663 60.65772 4.179815 -18.99257      10.96459 
1 1 1 -19 27 2  o 36.16337 5.060686 67.61327       17.42392 21.02268       37.36687 80.55798       19.69627 24.34066 9.931286 39.46011 5.227902 -15.11946      11.22325 
1 1 1 -19 27 3  o 38.19071 5.835267 76.51720       21.12232 21.29874       36.29335 104.8000       25.97443 24.18198 9.816952 44.68185 6.097888 -20.49987      11.55668 
1 1 1 -19 27 4  o 54.76288 4.602303 152.5294       24.44187 102.2543       39.05435 184.9000       31.33776 42.09233 9.680991 59.91925 5.401040 -17.82691      11.08570 
1 1 1 -19 27 5  o 68.21000 3.573011 232.8527       23.77232 167.4505       42.39890 262.8398       28.70946 55.34401 8.063577 72.24329 4.076495 -16.89928      9.035435 
1 1 1 -19 27 6  o 49.23491 4.106948 122.5924       19.61230 55.90920       38.21909 146.4287       22.85027 31.17312 10.54096 53.72066 4.383616 -22.54754      11.41612 
1 1 1 -19 27 7  o 26.74499 8.894148 39.16255       27.22083 4.546000       43.76096 61.01000       34.76524 23.08722 10.12059 32.34368 9.983655 -9.256456      14.21618 
1 1 1 -19 27 8  o 83.06484 3.704319 346.0147       30.04263 278.0000       59.29859 369.5009       34.84570 70.66763 8.760145 85.56822 4.172939 -14.90060      9.703276 
1 1 1 -19 27 9  o 67.33625 3.908285 228.3346       25.64903 145.8000       50.63802 256.8171       29.74732 49.30972 10.79184 71.22500 4.286708 -21.91528      11.61204 
1 1 1 -19 27 10 o 71.32559 3.558771 255.0311       24.76724 233.7697       41.30433 266.9675       30.94827 66.53357 6.422043 72.54265 4.378886 -6.009079      7.772856 
1 1 1 -19 27 11 f 15.52491 6.531527 3.744008       16.86587 23.76059       32.03745 -3.930293      19.83729 23.61029 9.345618 15.11522 6.711413 8.495071       11.50581 
1 1 1 -19 27 12 o 22.76814 7.126437 28.01041       17.64571 15.74503       32.65023 33.07104       20.97238 22.18952 9.192222 24.54727 7.780851 -2.357742      12.04320 
1 1 1 -19 27 13 o 48.84663 4.338803 121.8011       20.52926 93.77531       35.97105 135.3391       25.00070 39.92533 9.366959 51.14000 5.060710 -11.21467      10.64663 
1 1 1 -19 27 14 o 12.85679 5.880211 -8.879893      16.58114 -27.45173      32.06596 -2.101595      19.37212 16.22206 7.667267 15.20233 6.696494 1.019735       10.17988 
1 1 1 -19 27 15 o 21.39797 7.096626 24.34868       17.33277 57.55996       33.03573 11.73386       20.36018 30.93932 9.760262 18.39459 7.393631 12.54473       12.24453 
1 1 1 -19 27 16 o 37.17828 5.540961 73.34053       19.54923 42.13367       33.26858 89.79921       24.16055 27.16278 9.788827 40.80539 6.247537 -13.64261      11.61262 
1 1 1 -19 27 17 o 14.20583 6.383489 -5.406810      18.52227 -37.82690      31.35966 11.96250       22.95385 14.95158 7.205137 19.03032 7.776489 -4.078741      10.60131 
1 1 1 -19 27 18 o 37.97895 5.908316 77.43644       21.25014 82.82863       35.40289 74.39957       26.56860 36.75888 9.700052 36.12459 7.746289 0.6342964      12.41354 
1 1 1 -19 27 19 f 33.18264 7.589122 62.90337       24.11257 63.02888       33.02169 62.76000       35.29207 31.96738 9.704160 31.70319 10.09873 0.2641869      14.00554 
1 1 1 -19 27 20 o 17.73461 7.175086 10.78006       19.31224 -27.00300      29.77668 38.21239       25.37226 15.36557 7.299272 25.71655 8.587687 -10.35098      11.27066 
1 1 1 -19 27 21 o 25.56605 7.596036 37.55634       20.39440 44.17622       30.52674 32.21974       27.40863 27.21931 9.414801 24.21040 8.861579 3.008915       12.92927 
1 1 1 -19 27 22 o 33.23080 7.728304 63.97980       24.66150 80.14233       31.92130 40.05000       38.84145 36.32917 9.018727 26.60094 10.36155 9.728226       13.73678 
1 1 1 -19 27 23 o 15.66770 7.356267 -19.93377      28.65079 -19.93377      28.65079 0.000000       0.000000 15.66770 7.356267 ?        ?        ?              ?        
1 1 1 -19 27 24 o 28.91523 9.944352 52.42685       34.03983 5.908000       55.46196 80.54000       43.11570 23.88662 10.85894 34.41757 11.18087 -10.53095      15.58615 
1 1 1 -19 27 25 o 66.21089 5.377161 232.3287       34.54916 179.1000       45.10419 307.9000       53.74310 54.91584 8.679038 73.65553 7.561635 -18.73970      11.51104 
1 1 1 -19 27 26 o 23.22467 8.576968 29.92173       25.76983 1.890000       33.26070 72.02000       40.76041 19.40119 8.647762 32.49216 10.88528 -13.09097      13.90227 
1 1 1 -19 27 27 f 19.14872 7.466543 16.67268       20.18582 32.04290       28.21856 0.5653083      28.88731 23.83875 8.941773 18.13910 8.073828 5.699652       12.04749 
1 1 1 -19 27 28 o 19.41668 7.264380 18.85226       18.59961 -3.583390      26.97695 39.18046       25.67870 17.00350 7.666733 25.47459 8.640064 -8.471085      11.55117 
1 1 1 -19 27 29 o 15.92379 6.982738 1.302972       20.84735 -26.97538      26.61030 46.24000       33.54477 14.10151 6.754075 26.94730 9.812746 -12.84579      11.91249 
1 1 1 -19 27 30 o 25.71570 8.235373 40.46889       23.44547 -30.28000      52.42959 58.15279       26.21234 19.78508 9.477395 30.53720 8.472243 -10.75212      12.71220 
1 1 1 -19 27 31 o 29.77798 7.951657 54.29283       23.61318 42.13000       51.55003 57.52252       26.56391 26.34966 11.26503 30.17463 8.585367 -3.824974      14.16366 
1 1 1 -19 27 32 o 25.02961 8.417019 38.84816       24.36927 27.66000       49.40088 42.44626       28.01511 24.32235 10.70447 25.82123 9.014070 -1.498886      13.99426 
1 1 1 -19 27 33 o 13.43632 6.125473 -6.286547      17.80591 -15.93042      24.03049 5.454718       26.51517 14.31207 6.725219 17.98439 7.880955 -3.672322      10.36041 
1 1 1 -19 27 34 o 23.73907 7.409146 33.67653       19.08770 53.40872       27.36867 14.98882       26.63447 28.74522 8.855574 19.65065 8.233793 9.094572       12.09200 
1 1 1 -19 27 35 o 27.23700 7.914471 45.96586       22.35015 43.49844       28.30757 50.05000       36.41924 25.94029 9.060636 27.06121 10.15668 -1.120924      13.61077 
1 1 1 -19 27 36 o 26.94130 7.468463 44.14977       20.37828 13.66657       28.49079 76.08034       29.15933 19.63916 8.384851 34.50336 8.650979 -14.86420      12.04762 
1 1 1 -19 27 37 o 26.63194 7.503550 43.25611       20.39237 47.43307       29.66390 39.51340       28.07961 26.74778 9.279286 24.89685 8.990345 1.850931       12.92020 
1 1 1 -19 27 38 o 18.02018 7.404269 12.90550       20.95376 1.220000       33.20155 20.64072       27.01288 18.69237 8.459454 20.65091 8.437093 -1.958540      11.94767 
1 1 1 -19 27 39 o 14.55774 6.542778 -2.516126      19.46779 -25.51392      27.24391 21.47944       27.82862 14.18921 6.806120 20.82332 8.541941 -6.634112      10.92191 
1 1 1 -19 27 40 o 18.06456 7.247238 14.62247       19.52282 14.61482       26.87790 14.63100       28.40414 19.39543 8.207021 19.65363 8.380998 -0.2581978     11.73015 
1 1 1 -19 27 41 o 30.74113 7.053895 56.85293       20.77427 61.57284       28.46193 51.47139       30.39142 30.20165 8.973588 27.24704 9.395300 2.954611       12.99219 
1 1 1 -19 27 42 o 16.15288 6.918123 6.787483       19.50581 14.74389       26.04047 -3.383630      29.44250 19.03554 8.067498 17.00071 7.797946 2.034834       11.22018 
1 1 1 -19 27 43 o 18.24812 7.274685 16.58916       19.54464 37.10118       25.58413 -12.15901      30.28805 23.65870 8.576282 16.06671 7.549884 7.591990       11.42599 
1 1 1 -19 27 44 o 32.31828 8.542966 70.59898       27.43019 70.59898       27.43019 0.000000       0.000000 32.31828 8.542966 ?        ?        ?              ?        
1 1 1 -19 28 1  o 27.89950 7.058510 42.95869       19.28750 -71.43000      58.21376 57.06403       20.44212 19.69133 9.567068 32.39582 6.668963 -12.70449      11.66207 
1 1 1 -19 28 2  o 32.56784 7.289813 58.65360       22.65812 33.63000       58.33238 63.10000       24.58890 28.70588 12.11574 33.63605 7.642702 -4.930180      14.32488 
1 1 1 -19 28 3  o 34.16772 6.304881 62.73757       20.30960 46.30669       34.69881 71.30000       25.04857 28.63323 10.02933 35.94265 7.367473 -7.309414      12.44456 
1 1 1 -19 28 4  o 46.56366 4.376599 110.6372       19.71370 55.02097       36.80229 133.0172       23.34555 30.61889 10.34377 50.91827 4.738464 -20.29939      11.37746 
1 1 1 -19 28 5  f 38.98066 5.021173 78.86356       18.71395 8.603335       36.45304 104.0073       21.80689 21.87242 9.413940 44.82127 5.058825 -22.94886      10.68709 
1 1 1 -19 28 6  o 54.67442 4.227121 151.9440       22.44664 111.2000       49.37833 162.5568       25.20103 41.83492 11.63636 56.36836 4.607648 -14.53344      12.51540 
1 1 1 -19 28 7  o 42.57408 4.936691 93.83404       20.19162 68.85000       47.89051 99.23547       22.26757 33.26385 11.77151 43.60675 5.327388 -10.34290      12.92090 
1 1 1 -19 28 8  o 27.28209 6.771211 41.05264       17.99687 -3.734610      35.57876 56.45245       20.86275 19.89658 8.901060 32.04094 6.859103 -12.14435      11.23727 
1 1 1 -19 28 9  o 23.86473 7.091079 31.35942       17.77250 -1.063822      34.73510 42.85786       20.68521 20.00588 8.882042 27.62277 7.471558 -7.616896      11.60667 
1 1 1 -19 28 10 o 52.64808 4.178783 141.1895       21.35815 118.0545       37.93637 151.9256       25.84302 45.15535 8.899599 54.22227 4.922819 -9.066921      10.17040 
1 1 1 -19 28 11 o 27.07613 6.995942 40.91671       18.67294 40.20646       34.47814 41.21151       22.21266 26.91982 9.924525 26.91319 7.909713 0.6620407E-02  12.69093 
1 1 1 -19 28 12 o 46.20255 4.690445 110.3316       20.91855 72.50658       36.30914 129.1239       25.59275 34.22965 10.12663 49.63337 5.352425 -15.40372      11.45413 
1 1 1 -19 28 13 o 52.93250 4.233715 143.3222       21.75291 134.7879       37.49184 147.6531       26.70802 48.64787 8.162300 53.16097 5.199049 -4.513100      9.677461 
1 1 1 -19 28 14 o 23.80873 7.192544 31.67680       18.17115 2.486612       31.30274 46.51252       22.31609 19.43495 8.538345 28.43435 7.789474 -8.999401      11.55765 
1 1 1 -19 28 15 o 40.81232 5.114911 87.41464       19.98562 33.69926       33.34676 117.5239       24.96630 25.24214 9.661970 47.15647 5.512774 -21.91432      11.12404 
1 1 1 -19 28 16 o 39.82246 5.311000 83.82669       20.18625 79.03923       33.61690 86.52637       25.24416 35.96801 9.433576 39.61485 6.752143 -3.646835      11.60103 
1 1 1 -19 28 17 o 45.09811 5.040306 106.6130       21.86954 53.83635       33.66322 145.1539       28.76709 29.55005 9.892211 52.22065 5.721470 -22.67059      11.42764 
1 1 1 -19 28 18 o 35.22850 6.339225 68.17005       21.05563 73.17871       33.15454 64.78448       27.25823 34.33475 9.529283 33.03089 8.409952 1.303864       12.70962 
1 1 1 -19 28 19 o 16.80351 7.166607 4.809192       20.77420 -7.313000      36.07037 10.82589       25.41202 19.13265 8.720809 19.22458 8.048078 -0.9192085E-01 11.86693 
1 1 1 -19 28 20 o 13.88138 6.373501 -9.742317      19.73522 5.314496       29.83710 -21.45281      26.31345 19.28527 8.407402 14.75343 6.964801 4.531835       10.91755 
1 1 1 -19 28 21 o 49.75835 5.525789 131.9183       26.45997 121.5400       33.33273 149.6000       43.50816 46.11350 7.652921 49.65074 9.293890 -3.537239      12.03925 
1 1 1 -19 28 22 o 24.36862 9.166289 32.96340       29.69828 32.96340       29.69828 0.000000       0.000000 24.36862 9.166289 ?        ?        ?              ?        
1 1 1 -19 28 23 o 30.29305 8.191805 54.98479       24.86915 44.02113       30.13612 78.39000       44.03172 26.87058 9.351064 33.61593 11.31415 -6.745354      14.67830 
1 1 1 -19 28 24 o 59.31332 5.683116 189.0509       32.59162 168.2000       42.62465 218.4000       50.57022 53.21682 8.466187 60.27346 8.833729 -7.056641      12.23565 
1 1 1 -19 28 25 o 18.37406 7.672210 10.56986       23.00479 -5.882932      27.74914 46.73000       41.13815 16.93133 7.690715 27.33593 10.65902 -10.40460      13.14389 
1 1 1 -19 28 26 o 11.87223 5.769520 -30.55536      21.20510 -36.53212      25.69729 -17.80000      37.54055 12.96304 6.311319 18.02495 8.449490 -5.061914      10.54640 
1 1 1 -19 28 27 o 16.46814 6.997312 5.909537       19.67539 -12.23673      27.01961 26.39369       28.70743 15.83690 7.337531 22.50128 8.865278 -6.664379      11.50793 
1 1 1 -19 28 28 o 21.17058 7.975448 24.00657       22.50183 -8.297433      27.05765 96.45000       40.51926 16.27374 7.468559 37.32193 10.59818 -21.04819      12.96537 
1 1 1 -19 28 29 o 18.71791 7.697708 13.76264       22.67327 2.175000       50.25547 16.72403       25.40584 21.87613 10.09000 19.83868 8.152407 2.037449       12.97189 
1 1 1 -19 28 30 o 26.91285 8.095468 44.86819       23.05546 65.98000       52.21163 39.75446       25.69645 29.46587 11.84126 25.23120 8.641354 4.234671       14.65907 
1 1 1 -19 28 31 o 44.20727 6.227161 109.6678       26.20005 41.56000       52.45477 132.3073       30.24271 26.04012 11.25072 48.26996 6.571321 -22.22984      13.02923 
1 1 1 -19 28 32 o 15.75793 6.781485 4.318164       18.91239 -2.210108      26.48902 11.10622       27.01093 16.81104 7.586955 19.02164 8.143750 -2.210608      11.13025 
1 1 1 -19 28 33 o 15.92737 6.809832 5.447963       18.84088 16.73442       27.24034 -4.903092      26.08711 19.99780 8.349327 16.27570 7.417751 3.722101       11.16845 
1 1 1 -19 28 34 o 20.08808 7.825605 20.77656       22.15763 3.322274       28.59622 47.00000       35.05116 18.04819 8.033225 26.43952 9.955378 -8.391323      12.79227 
1 1 1 -19 28 35 o 26.35423 7.492970 42.39520       20.24130 23.03575       29.44634 59.73705       27.86972 21.41740 8.786294 30.20513 8.855156 -8.787725      12.47448 
1 1 1 -19 28 36 o 29.89999 7.717320 55.03851       22.73880 44.75000       36.42407 61.60880       29.10748 25.85483 10.04433 30.44193 9.082071 -4.587107      13.54152 
1 1 1 -19 28 37 o 35.83295 6.257096 73.14246       21.14820 78.84940       31.10223 68.23497       28.84167 34.55040 9.079725 32.25629 8.863008 2.294102       12.68835 
1 1 1 -19 28 38 o 24.53182 7.576054 37.11169       20.01655 42.41335       29.03780 32.31165       27.62999 25.34640 9.143808 23.02041 8.799000 2.325996       12.68982 
1 1 1 -19 28 39 o 19.65159 7.465136 20.80821       19.81044 36.93062       27.49864 3.412250       28.56410 24.05963 8.864443 17.88560 7.990277 6.174025       11.93410 
1 1 1 -19 28 40 o 18.09808 7.248929 15.30513       19.49904 -1.361477      26.95547 33.59941       28.24106 16.73837 7.593926 23.11837 8.880815 -6.380001      11.68489 
1 1 1 -19 28 41 o 24.95481 7.541140 39.27169       19.97299 23.73322       26.63059 59.24992       30.19640 20.77932 8.418833 28.90627 9.354359 -8.126949      12.58494 
1 1 1 -19 28 42 o 34.58811 6.255621 69.90196       20.39951 71.38999       27.24462 68.00324       30.77553 32.72134 8.448362 30.73524 9.376026 1.986099       12.62080 
1 1 1 -19 29 1  o 27.37679 7.942752 42.76528       22.52598 69.49000       61.09087 38.56000       24.23355 32.95291 12.94790 26.07238 8.374931 6.880531       15.42037 
1 1 1 -19 29 2  o 40.52451 5.387489 86.40386       20.84135 111.0000       62.16038 83.28870       22.12183 39.47104 13.44194 39.51117 5.900513 -0.4012680E-01 14.67998 
1 1 1 -19 29 3  f 37.17787 5.102568 72.40555       18.07928 -36.39000      59.89949 83.31017       18.96369 21.88248 10.38280 39.99137 4.950099 -18.10889      11.50243 
1 1 1 -19 29 4  o 33.64825 5.943258 60.89334       18.85902 0.000000       0.000000 60.89334       18.85902 ?        ?        33.64825 5.943258 ?              ?        
1 1 1 -19 29 5  o 27.28489 6.798919 41.43825       18.09159 0.000000       0.000000 41.43825       18.09159 ?        ?        27.28489 6.798919 ?              ?        
1 1 1 -19 29 6  o 27.81151 6.841099 43.14455       18.49273 -29.32311      37.17393 66.97576       21.31765 17.39649 8.232206 35.02579 6.455714 -17.62930      10.46162 
1 1 1 -19 29 7  o 61.97690 3.848252 194.7857       23.23013 125.0844       39.71536 231.0338       28.64049 46.02361 9.138391 67.17815 4.379457 -21.15455      10.13360 
1 1 1 -19 29 8  o 48.56850 4.489829 121.4991       21.10320 75.54692       37.47993 142.8297       25.53568 34.68005 10.29587 52.35846 5.044968 -17.67841      11.46546 
1 1 1 -19 29 9  o 31.11617 6.352319 53.14119       18.69220 14.48387       34.27051 69.51171       22.30159 21.91172 9.269265 35.52713 6.657687 -13.61541      11.41245 
1 1 1 -19 29 10 o 26.22083 7.126572 38.83908       18.76542 -2.866774      33.36906 58.12886       22.69390 19.18130 8.597697 31.99907 7.393960 -12.81778      11.33980 
1 1 1 -19 29 11 o 57.77195 4.129622 170.4749       23.19850 131.7515       37.71353 194.0455       29.42366 47.80297 8.364527 61.10125 4.962400 -13.29828      9.725777 
1 1 1 -19 29 12 o 36.29344 5.901556 71.03368       20.24568 27.24139       33.88229 95.35204       25.24882 23.95760 9.569113 41.86331 6.361653 -17.90571      11.49080 
1 1 1 -19 29 13 o 32.98038 6.336507 59.75942       19.71240 36.40855       33.09559 72.59818       24.54031 25.64557 9.669917 35.87952 7.237569 -10.23395      12.07848 
1 1 1 -19 29 14 o 17.40281 7.092982 9.801157       19.03587 9.217242       32.74331 10.09927       23.39588 20.62409 8.899715 18.62536 7.754018 1.998730       11.80380 
1 1 1 -19 29 15 o 27.52150 7.378766 43.58238       20.28275 3.208336       33.65127 66.61852       25.41881 19.89470 8.791992 33.86174 7.825933 -13.96703      11.77049 
1 1 1 -19 29 16 o 35.28951 6.161010 68.12919       20.50770 76.72847       34.04300 63.23108       25.69276 35.01717 9.632041 32.80001 8.060918 2.217167       12.56004 
1 1 1 -19 29 17 o 37.77637 6.077406 77.77621       21.71002 60.03788       33.71025 90.34735       28.37873 30.79865 9.876139 39.72257 7.575147 -8.923914      12.44673 
1 1 1 -19 29 18 o 22.45796 7.705874 27.98338       20.43644 26.76011       31.30027 28.89234       26.98128 23.26491 9.228362 23.23873 8.737866 0.2618408E-01  12.70878 
1 1 1 -19 29 19 o 14.53261 6.583178 -6.389979      20.16431 -5.468807      29.31184 -7.217555      27.78284 17.54809 7.944363 16.88784 7.680526 0.6602535      11.05004 
1 1 1 -19 29 20 o 24.41724 9.114253 33.59941       29.24453 33.59941       29.24453 0.000000       0.000000 24.41724 9.114253 ?        ?        ?              ?        
1 1 1 -19 29 21 o 16.59936 7.594250 -8.650698      27.68456 0.000000       0.000000 -8.650698      27.68456 ?        ?        16.59936 7.594250 ?              ?        
1 1 1 -19 29 22 o 17.36498 7.235902 8.831537       20.40074 15.41792       28.50635 1.916715       29.20845 20.47295 8.543933 18.41857 8.162814 2.054377       11.81653 
1 1 1 -19 29 23 o 24.51010 8.669784 35.47829       25.97532 16.72000       32.36000 69.46000       43.55463 21.31516 9.011579 31.44697 11.21606 -10.13181      14.38779 
1 1 1 -19 29 24 f 12.29602 5.927955 -26.44834      21.28148 -36.79393      25.42494 -2.237000      38.89482 12.83845 6.256709 19.89728 9.064107 -7.058829      11.01383 
1 1 1 -19 29 25 f 19.93209 7.785682 18.99405       21.97955 17.87501       26.21865 21.64000       40.31594 20.39339 8.319616 23.06888 9.914166 -2.675489      12.94244 
1 1 1 -19 29 26 o 15.44501 6.942223 -3.203361      21.92333 -22.05719      26.29829 39.75000       39.69413 14.44323 6.860713 25.62961 10.31594 -11.18638      12.38903 
1 1 1 -19 29 27 o 43.43599 5.147430 101.4956       21.46008 45.48312       29.30809 166.2393       31.50965 26.56443 9.223035 54.90773 5.958175 -28.34331      10.98017 
1 1 1 -19 29 28 o 39.89482 5.418814 86.67482       20.61404 58.95235       30.43287 110.1781       28.02150 29.82015 9.362522 43.92134 6.732227 -14.10119      11.53168 
1 1 1 -19 29 29 o 21.34377 8.085761 25.27475       23.20299 16.36000       50.27394 27.68767       26.15529 23.03959 10.41990 22.15906 8.537671 0.8805294      13.47094 
1 1 1 -19 29 30 o 27.91397 8.357659 49.26183       24.61562 14.73000       51.94466 59.26213       27.95360 23.06085 10.49346 30.20718 8.871933 -7.146330      13.74132 
1 1 1 -19 29 31 o 20.90405 7.393425 24.87108       18.88974 11.13864       26.20579 39.72321       27.25323 18.81550 8.037621 25.04715 8.878516 -6.231655      11.97628 
1 1 1 -19 29 32 o 14.13208 6.354223 -3.096229      18.38414 4.809900       25.39466 -11.80259      26.64887 17.50756 7.691071 15.52550 7.225237 1.982058       10.55256 
1 1 1 -19 29 33 o 25.00983 8.042289 39.03449       22.34253 20.76241       28.24188 69.60000       36.52712 20.81871 8.579449 31.07935 10.30191 -10.26064      13.40658 
1 1 1 -19 29 34 f 18.39603 7.273387 15.87134       19.38474 -4.906003      28.12461 34.67426       26.75495 16.74930 7.659645 23.67227 8.739884 -6.922968      11.62135 
1 1 1 -19 29 35 o 18.49118 7.505815 14.94324       21.21336 -8.678000      33.86502 30.19756       27.21425 17.63866 8.186909 22.62294 8.710780 -4.984280      11.95421 
1 1 1 -19 29 36 o 37.25201 6.020482 78.41621       21.20425 46.74324       30.10635 109.5932       29.86972 26.30300 9.330909 42.79337 7.398548 -16.49037      11.90816 
1 1 1 -19 29 37 o 31.54457 6.726893 58.57648       20.13605 41.70454       28.41080 75.60583       28.54302 25.14525 9.047993 34.20445 8.549463 -9.059198      12.44827 
1 1 1 -19 29 38 o 18.36153 7.215821 16.55506       18.97626 -9.170970      26.24811 44.72440       27.46629 15.58091 7.223464 25.86912 8.931213 -10.28821      11.48673 
1 1 1 -19 29 39 o 20.48629 7.453972 24.51916       19.35067 19.05858       26.49738 30.75943       28.32601 19.92118 8.269240 22.43442 8.816147 -2.513237      12.08738 
1 1 1 -19 29 40 o 28.65994 7.184464 50.74936       20.11393 64.51433       27.39378 34.64724       29.62823 30.87347 8.696154 23.08773 9.033254 7.785744       12.53885 
1 1 1 -19 29 41 o 10.76426 5.318399 -36.62779      20.46375 -34.70485      23.81755 -42.05000      39.99477 12.07908 5.922393 15.72536 7.702767 -3.646272      9.716345 
1 1 1 -19 30 1  o 13.41454 6.380075 -23.36145      22.88534 -41.02000      55.92967 -19.81034      25.08111 20.57556 9.837858 14.60951 6.866768 5.966051       11.99733 
1 1 1 -19 30 2  o 68.29017 4.183891 238.2494       27.83269 198.3000       66.49910 246.7339       30.64608 53.55786 12.84963 69.23887 4.547042 -15.68101      13.63043 
1 1 1 -19 30 3  o 37.04133 6.671039 75.65394       23.29780 0.000000       0.000000 75.65394       23.29780 ?        ?        37.04133 6.671039 ?              ?        
1 1 1 -19 30 4  f 62.26299 4.085838 197.8670       24.76344 0.000000       0.000000 197.8670       24.76344 ?        ?        62.26299 4.085838 ?              ?        
1 1 1 -19 30 5  o 16.10105 7.228261 -4.867303      23.68657 5.059000       56.55658 -6.978768      26.08443 24.32647 11.02190 16.55654 7.494980 7.769930       13.32881 
1 1 1 -19 30 6  o 60.96939 3.916647 189.2268       23.25034 115.8000       62.40034 201.0641       25.05445 39.27434 13.46554 62.73814 4.102380 -23.46381      14.07659 
1 1 1 -19 30 7  o 37.49522 5.471454 74.88947       19.48949 -47.48000      58.04047 90.44084       20.69087 20.46438 9.846605 41.40159 5.221609 -20.93721      11.14544 
1 1 1 -19 30 8  o 42.66484 4.910192 95.27053       20.13224 22.89000       59.21922 104.7290       21.40726 26.32522 11.64712 44.71627 4.975041 -18.39106      12.66516 
1 1 1 -19 30 9  o 16.24469 6.686479 7.376870       17.12715 -8.340000      56.17018 8.987904       17.98354 22.92828 10.60782 16.89823 6.891574 6.030056       12.64989 
1 1 1 -19 30 10 o 25.27525 7.898568 36.88980       21.68552 11.53000       55.99635 41.36420       23.52090 24.68280 11.09464 26.56239 8.214109 -1.879589      13.80444 
1 1 1 -19 30 11 o 15.78918 6.709709 4.134582       18.09534 -8.880713      29.90377 11.65361       22.72898 17.33782 7.917156 18.72739 7.704967 -1.389570      11.04753 
1 1 1 -19 30 12 o 25.40028 7.342999 37.03107       19.28415 36.25645       32.18586 37.46488       24.08600 25.36904 9.542492 25.36655 8.363801 0.2496719E-02  12.68906 
1 1 1 -19 30 13 o 41.52501 5.437066 91.94563       21.56907 23.65389       34.57801 135.4429       27.59604 23.16158 9.513611 50.30422 5.705114 -27.14264      11.09311 
1 1 1 -19 30 14 o 45.04245 5.182053 107.3466       22.43124 64.79877       34.59275 138.2168       29.46563 31.78410 9.982309 50.49279 6.084323 -18.70869      11.69040 
1 1 1 -19 30 15 o 15.30093 6.746581 -0.9237848     19.70855 1.146925       30.94166 -2.337452      25.56569 18.87351 8.380950 16.93637 7.563222 1.937138       11.28905 
1 1 1 -19 30 16 o 31.35289 7.044318 56.10809       21.08961 76.92572       31.99309 40.11064       28.04568 35.21598 9.186648 25.95307 9.021557 9.262915       12.87567 
1 1 1 -19 30 17 o 27.53237 7.690650 44.59046       21.51959 -13.09920      31.49883 95.08466       29.46905 17.15711 7.939840 40.50467 7.714486 -23.34756      11.07043 
1 1 1 -19 30 18 o 13.15101 6.468101 -49.37406      29.12015 -49.37406      29.12015 0.000000       0.000000 13.15101 6.468101 ?        ?        ?              ?        
1 1 1 -19 30 19 o 31.98358 9.767078 66.49078       33.38474 52.64000       56.47704 73.93000       41.39033 28.65052 11.99632 32.66790 10.96936 -4.017378      16.25541 
1 1 1 -19 30 20 f 31.16921 7.164216 56.26628       21.39906 25.77660       30.21408 86.95358       30.31183 22.65593 9.040595 37.95888 8.382413 -15.30295      12.32871 
1 1 1 -19 30 21 o 28.88522 7.844543 50.10157       22.74752 42.14000       35.68055 55.55343       29.52601 26.17072 10.00005 29.51055 9.215650 -3.339832      13.59887 
1 1 1 -19 30 22 o 20.68024 7.763675 22.33632       21.28235 19.38000       31.85780 24.71902       28.60056 21.57933 9.020896 22.13242 8.807688 -0.5530834     12.60761 
1 1 1 -19 30 23 o 17.59728 7.352389 9.596774       21.14618 24.99000       31.91153 -2.454054      28.23523 22.50755 9.179862 17.39681 7.843836 5.110733       12.07459 
1 1 1 -19 30 24 o 19.53699 7.943957 16.36839       23.81009 -25.27004      28.10265 122.3000       44.82423 14.66201 7.000299 41.87479 10.84912 -27.21278      12.91153 
1 1 1 -19 30 25 o 16.09656 7.391868 -7.805539      26.56156 -7.805539      26.56156 0.000000       0.000000 16.09656 7.391868 ?        ?        ?              ?        
1 1 1 -19 30 26 o 30.38726 7.819594 56.48281       23.39316 41.50836       28.30828 88.73000       41.54168 25.54088 9.049203 34.82162 10.93946 -9.280746      14.19718 
1 1 1 -19 30 27 o 34.92780 6.446097 69.71802       21.22642 16.23547       29.76855 125.0367       30.27524 20.32741 8.620800 46.60016 6.840875 -26.27275      11.00526 
1 1 1 -19 30 28 o 19.26856 7.840363 16.44278       23.21258 -34.54000      49.96080 30.47809       26.21372 18.75753 9.052942 22.76802 8.601340 -4.010492      12.48755 
1 1 1 -19 30 29 o 32.56252 8.066375 65.73264       25.57595 51.96000       52.62055 69.99268       29.26532 27.22958 11.50072 32.85365 8.887321 -5.624069      14.53448 
1 1 1 -19 30 30 o 32.93160 7.905700 67.01192       25.16010 40.46000       52.97438 74.74603       28.59058 25.62076 11.18535 34.20586 8.560431 -8.585098      14.08520 
1 1 1 -19 30 31 o 29.59598 7.337203 52.92774       21.14886 42.51971       30.73018 62.29312       29.15034 25.46922 9.373066 30.60789 9.078262 -5.138670      13.04872 
1 1 1 -19 30 32 o 16.01773 7.129973 0.5309014      22.53116 -28.24050      28.89635 45.15000       35.98512 14.44050 6.948052 25.85405 10.00017 -11.41355      12.17698 
1 1 1 -19 30 33 o 28.21832 7.371762 48.49242       20.58135 56.76998       30.56310 41.62418       27.83997 28.80977 9.417347 25.27844 8.972294 3.531326       13.00725 
1 1 1 -19 30 34 o 34.35007 7.023668 69.90389       22.81798 45.62000       38.17917 83.39782       28.46010 25.83884 10.21021 36.49693 8.170560 -10.65808      13.07694 
1 1 1 -19 30 35 o 19.93195 7.487957 21.97316       19.80493 17.09147       28.77835 26.36526       27.29712 20.04283 8.487104 21.63961 8.606910 -1.596781      12.08759 
1 1 1 -19 30 36 o 13.82781 6.307690 -5.539961      18.91693 -19.02847      27.21120 7.076018       26.31639 14.76236 7.002579 17.91647 7.851269 -3.154109      10.52039 
1 1 1 -19 30 37 o 14.89172 6.594816 0.8347005      19.02977 16.13444       27.15092 -13.93844      26.67958 19.49668 8.249172 15.08592 7.088021 4.410768       10.87607 
1 1 1 -19 30 38 o 16.38066 6.934741 8.448938       19.20606 17.56865       26.55654 -1.551781      27.80972 19.56368 8.211135 16.80546 7.659022 2.758213       11.22868 
1 1 1 -19 30 39 o 26.75494 7.351097 45.08989       19.84143 36.30704       27.46653 54.67509       28.69372 23.34783 8.808002 27.74524 9.127909 -4.397415      12.68462 
1 1 1 -19 30 40 o 14.86418 6.768407 -3.042119      21.65843 -12.25172      25.31900 22.08000       41.81714 14.69929 6.905911 21.57079 9.649987 -6.871500      11.86650 
1 1 1 -19 31 1  o 51.25522 6.396424 143.4263       31.39433 0.000000       0.000000 143.4263       31.39433 ?        ?        51.25522 6.396424 ?              ?        
1 1 1 -19 31 2  o 32.31435 6.616452 58.32126       20.22293 0.000000       0.000000 58.32126       20.22293 ?        ?        32.31435 6.616452 ?              ?        
1 1 1 -19 31 3  o 49.33077 4.355198 125.6822       20.81388 60.71000       61.99941 133.9347       22.09624 30.54286 12.66108 50.85595 4.484752 -20.31309      13.43190 
1 1 1 -19 31 4  o 28.07013 7.527600 45.69841       21.10624 26.60000       57.94293 48.62014       22.66326 26.32647 11.58954 28.80156 7.833416 -2.475098      13.98856 
1 1 1 -19 31 5  o 28.23093 7.672892 46.46124       21.75281 -2.444000      59.67767 53.95458       23.35994 23.78001 10.97782 30.35870 7.814970 -6.578686      13.47540 
1 1 1 -19 31 6  o 42.85736 4.930474 96.50842       20.30692 112.7000       61.04790 94.49393       21.53315 38.24878 13.30932 42.16225 5.337069 -3.913475      14.33953 
1 1 1 -19 31 7  o 26.57511 7.055038 40.39648       18.65636 -19.63000      56.92370 47.62020       19.74705 21.95089 10.32596 28.87826 7.048712 -6.927366      12.50239 
1 1 1 -19 31 8  o 40.49888 5.428113 87.58651       20.97648 10.90000       59.64384 98.41069       22.40803 24.85784 11.28488 42.94242 5.453885 -18.08458      12.53369 
1 1 1 -19 31 9  o 33.97963 6.321114 63.88390       20.25058 43.11000       58.78088 66.68153       21.57110 28.06228 12.01394 34.54766 6.619819 -6.485380      13.71702 
1 1 1 -19 31 10 o 41.57495 5.229563 91.84318       20.81181 119.0000       60.29064 88.16951       22.17484 39.14098 13.23928 40.38898 5.773123 -1.248005      14.44325 
1 1 1 -19 31 11 o 17.12177 6.988800 9.680425       18.51404 9.885000       54.91046 9.654185       19.66556 24.07409 10.88858 17.43044 7.168689 6.643652       13.03654 
1 1 1 -19 31 12 o 19.40356 7.355235 18.02189       19.20671 8.008000       51.90933 19.61029       20.67394 23.44892 10.59816 20.07661 7.626212 3.372316       13.05680 
1 1 1 -19 31 13 o 31.43165 6.758258 55.92315       20.17411 51.51000       54.41033 56.62655       21.72244 28.71782 11.87870 31.34244 7.228161 -2.624624      13.90503 
1 1 1 -19 31 14 o 17.57459 7.148255 10.90991       19.28623 -29.93000      52.08261 17.39991       20.76217 20.14258 9.592666 19.48264 7.579296 0.6599445      12.22559 
1 1 1 -19 31 15 o 20.38607 7.551823 21.43093       20.00496 27.51000       52.72121 20.40844       21.62201 25.42286 11.12741 20.34768 7.782212 5.075178       13.57874 
1 1 1 -19 31 16 o 22.25534 8.419436 26.57018       25.13706 23.22000       54.45234 27.47747       28.33716 25.00576 11.11026 22.78840 8.857637 2.217356       14.20899 
1 1 1 -19 31 17 f 30.79491 9.992966 62.58667       34.44615 109.0000       56.49384 35.12000       43.45930 37.17321 12.80996 25.47418 10.58362 11.69903       16.61650 
1 1 1 -19 31 18 o 16.93347 7.160147 7.095536       20.43411 -13.78980      28.52093 29.12365       29.29083 16.09508 7.485030 23.13764 9.002060 -7.042561      11.70738 
1 1 1 -19 31 19 o 47.03034 5.168359 118.1708       23.40071 55.72121       32.42614 186.0405       33.80404 29.15564 9.707679 58.29185 6.010614 -29.13622      11.41782 
1 1 1 -19 31 20 o 24.10428 8.021539 34.57352       22.14072 32.47000       33.43682 36.21601       29.54628 24.06361 9.540383 24.62093 9.166877 -0.5573196     13.23067 
1 1 1 -19 31 21 o 17.95102 7.275340 12.74722       19.89520 -2.749940      27.79729 29.02356       28.48753 17.18574 7.762565 22.86358 8.882714 -5.677845      11.79661 
1 1 1 -19 31 22 o 29.56567 7.231859 51.81225       20.75312 33.77880       29.17283 70.28887       29.52911 23.84687 9.058951 33.11433 8.914156 -9.267466      12.70932 
1 1 1 -19 31 23 o 21.94812 7.685069 28.05727       20.37241 66.38718       28.90947 -9.754486      28.71340 32.02951 8.901672 16.41208 7.589999 15.61743       11.69820 
1 1 1 -19 31 24 o 20.12965 7.845329 20.68268       22.27746 16.97515       27.24631 28.16000       38.69354 20.09083 8.366249 23.35613 9.863242 -3.265299      12.93359 
1 1 1 -19 31 25 o 32.35995 8.534034 66.80307       27.41382 74.92000       36.90449 56.81000       40.94802 32.36876 10.32864 28.08578 10.71745 4.282980       14.88437 
1 1 1 -19 31 26 o 19.29515 7.933905 15.98767       24.08132 18.98086       29.06069 9.428000       43.02094 20.65239 8.623297 21.32463 9.642158 -0.6722355     12.93570 
1 1 1 -19 31 27 o 23.03636 8.137840 32.02360       22.87959 38.84560       28.11593 18.65000       39.36597 24.76088 8.988513 21.97929 9.617852 2.781597       13.16421 
1 1 1 -19 31 28 o 14.61421 6.819650 -12.52595      23.99947 -65.02000      49.93544 3.241501       27.36746 16.87569 8.332357 17.68043 7.864789 -0.8047428     11.45788 
1 1 1 -19 31 29 o 23.42269 8.431355 33.81027       24.67297 -4.391000      50.17529 45.99341       28.33548 20.87964 9.781494 26.38747 9.073018 -5.507835      13.34156 
1 1 1 -19 31 30 o 15.67836 7.037896 -1.317829      22.45001 24.64779       29.04843 -39.83000      35.37711 21.56602 8.772393 15.22532 7.411058 6.340703       11.48384 
1 1 1 -19 31 31 o 15.29988 6.741402 1.427338       19.64601 -6.024182      29.50077 7.365504       26.33523 16.89277 7.769448 18.04403 7.881851 -1.151262      11.06742 
1 1 1 -19 31 32 f 24.68434 7.985563 38.22573       22.00692 66.03000       36.80920 22.75876       27.45384 29.99805 10.34000 20.99520 8.532660 9.002855       13.40604 
1 1 1 -19 31 33 o 14.35971 6.576524 -6.289885      20.83432 11.50000       35.31485 -15.78727      25.80315 20.15561 8.951776 14.69414 6.924613 5.461474       11.31744 
1 1 1 -19 31 34 o 16.73046 7.371098 4.014843       23.48280 -65.97000      50.74715 23.08391       26.48954 16.79377 8.311559 20.82869 8.411736 -4.034922      11.82537 
1 1 1 -19 31 35 o 22.11012 8.299461 29.63430       24.31960 -7.120000      51.68265 40.08704       27.56168 20.51452 9.707382 24.64409 8.905973 -4.129570      13.17382 
1 1 1 -19 31 36 o 13.39202 6.379235 -19.02572      23.05968 -29.82000      50.06970 -16.11980      25.97885 18.53213 8.972893 14.60298 6.901789 3.929148       11.32022 
1 1 1 -19 31 37 o 36.88615 6.333595 79.36836       22.04410 87.39000       52.93680 77.68552       24.24637 30.47252 12.02844 35.66822 7.193327 -5.195700      14.01525 
1 1 1 -19 31 38 o 16.63461 7.405080 4.106463       24.30772 -34.77000      50.53272 15.81017       27.72625 17.97331 8.772644 19.17026 8.229942 -1.196955      12.02877 
1 1 1 -19 31 39 o 18.31658 8.317694 5.605278       32.43105 -19.17000      50.08761 23.49000       42.55613 18.75280 9.054059 21.61036 9.696138 -2.857557      13.26616 
1 1 1 -19 32 1  o 28.34576 9.055692 49.53379       28.36188 0.000000       0.000000 49.53379       28.36188 ?        ?        28.34576 9.055692 ?              ?        
1 1 1 -19 32 2  o 47.56962 6.100883 123.2694       27.75406 73.33000       58.54835 137.7439       31.52061 31.82809 12.62258 49.88696 6.618187 -18.05887      14.25237 
1 1 1 -19 32 3  o 29.69672 6.700650 49.92023       19.01293 56.37000       55.86782 49.07539       20.21986 29.45012 12.09429 29.19337 7.136853 0.2567520      14.04302 
1 1 1 -19 32 4  o 13.01445 6.283614 -30.55510      24.12697 16.25000       54.73333 -41.84341      26.87940 24.60536 11.02143 12.99734 6.355556 11.60802       12.72262 
1 1 1 -19 32 5  o 69.63380 4.918852 254.0258       33.31090 0.000000       0.000000 254.0258       33.31090 ?        ?        69.63380 4.918852 ?              ?        
1 1 1 -19 32 6  o 53.79794 5.021953 152.4794       26.13952 76.89000       58.93823 170.9885       29.16475 32.25404 12.70421 56.75733 5.311338 -24.50328      13.76979 
1 1 1 -19 32 7  o 16.00768 6.779706 5.143345       18.36984 -24.58000      55.07996 8.863251       19.48547 21.06753 9.984484 17.16161 7.104541 3.905924       12.25416 
1 1 1 -19 32 8  o 25.40454 7.520241 37.72773       20.01911 -2.384000      55.81451 43.64977       21.44606 22.90609 10.58932 27.18598 7.707143 -4.279890      13.09709 
1 1 1 -19 32 9  o 26.44859 7.520184 41.05884       20.38807 50.14000       56.23124 39.68432       21.87669 28.44034 11.94327 25.87593 7.907326 2.564407       14.32367 
1 1 1 -19 32 10 o 38.10149 5.846512 79.21295       21.10927 49.48000       58.05590 83.74271       22.66027 28.34339 12.03047 38.99590 6.139389 -10.65250      13.50645 
1 1 1 -19 32 11 o 21.14186 7.514099 24.40577       19.53197 13.33000       55.89536 25.94631       20.84612 24.16148 10.95119 21.69654 7.757178 2.464939       13.42022 
1 1 1 -19 32 12 o 53.70921 4.547529 150.6674       23.68280 61.56000       58.36993 168.2271       25.91144 29.65494 12.28822 56.63726 4.716715 -26.98231      13.16236 
1 1 1 -19 32 13 o 55.70157 4.452739 161.6166       24.07533 132.1000       59.45818 167.4049       26.33038 40.67554 13.12319 56.41217 4.814428 -15.73663      13.97844 
1 1 1 -19 32 14 o 16.70923 7.071614 6.662391       19.96122 -28.31000      52.75009 12.50721       21.56483 20.13517 9.607180 18.37090 7.525809 1.764267       12.20392 
1 1 1 -19 32 15 o 21.37165 10.02881 -11.71000      53.12299 -11.71000      53.12299 0.000000       0.000000 21.37165 10.02881 ?        ?        ?              ?        
1 1 1 -19 32 16 o 17.46969 7.529890 6.017693       23.38723 -26.44000      53.55781 13.66504       25.99677 20.30446 9.685875 19.48399 8.147244 0.8204708      12.65677 
1 1 1 -19 32 17 o 32.21409 7.304796 60.96886       22.50113 42.32000       55.11005 64.69964       24.64932 26.79738 11.55468 32.84272 7.786725 -6.045332      13.93354 
1 1 1 -19 32 18 o 16.92380 7.394779 3.603386       23.19636 0.000000       0.000000 3.603386       23.19636 ?        ?        16.92380 7.394779 ?              ?        
1 1 1 -19 32 19 o 18.48479 7.659065 12.69532       22.67356 0.000000       0.000000 12.69532       22.67356 ?        ?        18.48479 7.659065 ?              ?        
1 1 1 -19 32 20 o 15.74052 6.905294 1.924338       20.40693 -29.52000      52.19112 7.599287       22.17208 19.53908 9.384820 17.29004 7.389773 2.249039       11.94502 
1 1 1 -19 32 21 f 13.19500 6.185491 -13.73937      20.11979 -37.67000      51.44596 -9.418328      21.86093 18.83630 9.114208 14.38955 6.643309 4.446753       11.27840 
1 1 1 -19 32 22 o 18.97139 7.450287 17.41589       20.21733 -47.13000      50.37906 29.80606       22.07265 18.02123 8.787970 22.41218 7.985536 -4.390945      11.87422 
1 1 1 -19 32 23 o 43.03346 5.380640 101.2024       22.17057 66.29000       53.17226 108.5494       24.39205 28.91957 11.82885 44.25324 5.768305 -15.33367      13.16036 
1 1 1 -19 32 24 o 24.66428 8.240755 38.04297       23.36316 102.0000       52.12538 21.96437       26.13540 34.85722 12.28583 20.80973 8.372514 14.04749       14.86744 
1 1 1 -19 32 25 o 39.11681 6.850821 88.89799       25.27550 32.13000       52.94020 105.6583       28.76573 24.73326 10.97394 42.38252 7.190716 -17.64927      13.11998 
1 1 1 -19 32 26 o 22.61150 8.285768 30.83808       23.97293 1.709000       50.59432 39.27123       27.22284 21.39826 9.957356 24.71999 8.861489 -3.321733      13.32948 
1 1 1 -19 32 27 o 21.06003 8.017810 24.91664       22.88349 0.000000       0.000000 24.91664       22.88349 ?        ?        21.06003 8.017810 ?              ?        
1 1 1 -19 32 28 o 26.85524 8.848680 47.73060       26.96124 -31.93000      52.08654 76.88625       31.51121 19.04537 9.204534 33.77403 9.257752 -14.72866      13.05486 
1 1 1 -19 32 29 o 25.02134 9.412346 41.30716       31.31508 39.41000       52.25962 42.37000       39.11532 25.20326 11.05364 25.22512 10.20929 -0.2186203E-01 15.04701 
1 1 1 -19 32 30 o 12.97212 6.154512 -17.51613      21.03827 -68.53000      50.75500 -6.932767      23.11781 16.75120 8.294376 15.01458 6.895390 1.736619       10.78625 
1 1 1 -19 32 31 o 32.45293 7.615561 64.98775       23.77281 0.000000       0.000000 64.98775       23.77281 ?        ?        32.45293 7.615561 ?              ?        
1 1 1 -19 32 32 o 13.47147 6.284157 -11.23425      20.34920 -74.13000      51.42672 0.4416551      22.15764 16.50483 8.202704 15.77569 7.043256 0.7291403      10.81165 
1 1 1 -19 32 33 o 18.68117 7.448467 16.99486       20.49269 2.601000       51.18148 19.74296       22.36354 21.23239 9.924756 19.59317 7.791228 1.639217       12.61761 
1 1 1 -19 32 34 o 23.90606 7.716541 36.16040       20.55629 31.77000       51.84670 36.97930       22.39144 23.76709 10.67995 23.98161 8.068250 -0.2145157     13.38499 
1 1 1 -19 32 35 o 14.58895 6.579249 -1.933100      19.87724 -27.30000      50.86247 2.639480       21.59456 18.68456 9.045968 15.84677 7.021099 2.837788       11.45100 
1 1 1 -19 32 36 o 15.19113 6.722263 2.226691       19.73552 -15.33000      49.65208 5.520863       21.50747 19.13870 9.182349 16.24552 7.108940 2.893183       11.61260 
1 1 1 -19 32 37 o 18.52545 8.328100 8.152139       31.56375 25.97000       49.17044 -4.336000      41.16472 22.33780 10.18184 18.65993 8.778850 3.677868       13.44389 
1 1 1 -19 33 1  o 54.98783 4.283496 156.8344       22.87356 67.95000       57.36509 173.6379       24.94213 30.47647 12.35310 57.74815 4.446768 -27.27168      13.12908 
1 1 1 -19 33 2  o 22.71259 8.492035 28.56592       25.40905 32.37000       54.00756 27.48456       28.79490 25.87365 11.29486 22.78369 8.907939 3.089956       14.38490 
1 1 1 -19 33 3  o 36.86923 7.585937 79.66181       26.46285 11.46000       56.82817 98.54578       29.90283 23.99779 10.94139 40.98260 7.737857 -16.98481      13.40106 
1 1 1 -19 33 4  o 20.24768 7.466739 21.44074       19.51805 18.32000       55.86495 21.87464       20.83077 24.53492 11.05031 20.53328 7.686602 4.001648       13.46080 
1 1 1 -19 33 5  o 23.91904 7.440664 33.45789       19.26761 -12.12000      53.60902 40.21877       20.64727 21.52125 10.09122 26.02150 7.619999 -4.500256      12.64504 
1 1 1 -19 33 6  o 30.31801 7.728077 54.83490       22.99886 16.22000       53.76258 63.48429       25.44458 24.07964 10.84324 32.44053 8.051169 -8.360891      13.50545 
1 1 1 -19 33 7  o 24.15523 8.066664 34.51574       22.38690 -10.58000      54.29181 43.75401       24.57322 21.73626 10.18023 26.73860 8.415529 -5.002337      13.20827 
1 1 1 -19 33 8  o 34.75556 7.243256 70.15561       23.84110 35.36000       54.85843 78.25776       26.47167 26.17547 11.40577 36.42207 7.668106 -10.24660      13.74378 
1 1 1 -19 33 9  o 25.13679 7.634920 37.58688       20.43663 22.20000       54.78994 40.07362       22.02623 24.68162 11.04346 25.79077 7.944198 -1.109144      13.60398 
1 1 1 -19 33 10 f 26.43109 7.664562 41.87097       20.98043 -9.061000      54.37439 50.78020       22.74152 21.73454 10.18218 29.00071 7.829798 -7.266167      12.84455 
1 1 1 -19 33 11 o 55.64707 4.535204 162.2344       24.48874 22.22000       58.32674 192.1976       26.98211 24.87561 11.23941 60.54787 4.586841 -35.67225      12.13934 
1 1 1 -19 33 12 o 36.87497 6.474571 76.70422       22.51733 64.94000       57.62296 78.82437       24.46237 29.64096 12.23897 36.97990 7.014709 -7.338936      14.10668 
1 1 1 -19 33 13 o 19.90798 8.920735 4.058897       35.89429 -18.09000      55.06884 20.42000       47.32996 21.07072 9.985256 23.56543 10.41995 -2.494713      14.43193 
1 1 1 -19 33 14 o 20.93520 8.108998 22.74764       23.68634 17.08000       55.84262 23.99103       26.15581 23.99041 10.90220 21.51089 8.466084 2.479519       13.80336 
1 1 1 -19 33 15 o 19.16196 7.614369 16.90444       21.34523 34.84000       55.48724 13.78926       23.12475 25.63816 11.31171 18.80585 7.758011 6.832319       13.71647 
1 1 1 -19 33 16 o 23.90486 8.542374 34.80159       25.27657 64.53000       52.95566 26.03015       28.76483 29.14539 11.84850 22.09842 8.820115 7.046974       14.77096 
1 1 1 -19 33 17 o 17.85368 7.563496 9.816894       22.87265 0.000000       0.000000 9.816894       22.87265 ?        ?        17.85368 7.563496 ?              ?        
1 1 1 -19 33 18 o 13.66245 6.358460 -11.54949      20.64165 62.87000       51.49454 -25.79659      22.53103 28.67422 11.67386 12.68558 6.111673 15.98864       13.17694 
1 1 1 -19 33 19 o 14.26834 6.531575 -6.897611      20.51803 -64.46000      49.73164 4.910504       22.52442 16.92414 8.348580 16.81535 7.318098 0.1087914      11.10195 
1 1 1 -19 33 20 o 18.86980 7.464886 17.07698       20.42944 -20.93000      50.95190 24.35766       22.30050 19.73596 9.423676 20.91569 7.926183 -1.179729      12.31382 
1 1 1 -19 33 21 o 19.39428 7.581065 18.96878       20.85173 34.76000       51.98803 15.94142       22.76291 24.87040 10.96206 18.99894 7.751505 5.871458       13.42582 
1 1 1 -19 33 22 o 18.71268 7.496886 16.08698       20.86097 78.76000       51.01634 3.503729       22.85943 30.93363 11.92238 16.62892 7.301333 14.30471       13.98044 
1 1 1 -19 33 23 o 13.60058 6.329801 -11.18328      20.45767 -68.09000      48.22958 1.301883       22.59065 16.37702 8.104847 16.16001 7.169413 0.2170086      10.82077 
1 1 1 -19 33 24 o 33.37167 7.837867 69.01056       25.16357 68.50000       51.87587 69.16766       28.77567 28.98368 11.74751 32.41652 8.831014 -3.432840      14.69662 
1 1 1 -19 33 25 o 23.37390 8.427912 33.95681       24.66508 -32.40000      50.79496 54.43051       28.21473 18.81736 9.093204 28.49107 9.024130 -9.673710      12.81098 
1 1 1 -19 33 26 o 19.05005 7.875745 15.75847       23.90146 -5.205000      50.00607 21.96582       27.21099 20.60904 9.689575 20.76292 8.473620 -0.1538868     12.87207 
1 1 1 -19 33 27 o 23.01135 8.344534 32.76272       24.22294 42.02000       51.22487 30.09650       27.49077 25.38288 11.04149 22.47185 8.727210 2.911036       14.07404 
1 1 1 -19 33 28 o 16.03116 7.330226 -4.811157      25.74592 -1.405000      51.05425 -5.972754      29.81450 21.01878 9.853130 16.90730 7.788645 4.111481       12.55974 
1 1 1 -19 33 29 o 15.23184 7.137029 -13.21115      26.73402 0.000000       0.000000 -13.21115      26.73402 ?        ?        15.23184 7.137029 ?              ?        
1 1 1 -19 33 30 o 34.63494 7.824842 74.96269       25.89981 0.000000       0.000000 74.96269       25.89981 ?        ?        34.63494 7.824842 ?              ?        
1 1 1 -19 33 31 o 21.63284 8.235666 27.84446       24.14355 71.61000       51.63540 15.59880       27.31318 28.92890 11.72209 19.44116 8.251802 9.487740       14.33526 
1 1 1 -19 33 32 o 16.05727 6.978557 5.220028       20.42385 11.93000       50.70050 3.920249       22.31448 21.76042 10.07123 16.31052 7.185766 5.449898       12.37194 
1 1 1 -19 33 33 o 17.06239 7.187365 10.51904       20.46363 -96.25000      49.87476 32.13160       22.43941 15.10488 7.590567 22.50822 8.048075 -7.403337      11.06292 
1 1 1 -19 33 34 o 12.30681 5.874228 -17.79331      19.76040 -37.38000      48.96331 -13.98248      21.59733 17.63302 8.612792 13.39031 6.317821 4.242715       10.68153 
1 1 1 -19 33 35 o 21.76420 7.725168 30.24228       20.63860 24.45000       50.61522 31.39738       22.60300 22.24492 10.21112 22.02119 8.049367 0.2237320      13.00228 
1 1 1 -19 33 36 o 17.43677 8.029389 0.4231322E-01  31.64200 -67.03000      49.09787 47.69000       41.38204 15.90780 7.923800 24.63411 10.28838 -8.726310      12.98604 
1 1 1 -19 34 1  o 22.18884 7.557374 28.40734       19.64870 -11.65000      53.59331 34.62775       21.11926 21.32784 10.02865 24.08359 7.825337 -2.755743      12.72044 
1 1 1 -19 34 2  o 35.15081 6.295218 69.42461       20.86423 -57.77000      54.66011 91.11777       22.57343 18.48129 9.042660 40.71783 5.829942 -22.23654      10.75909 
1 1 1 -19 34 3  f 50.06209 4.684067 132.1435       22.68643 38.19000       58.30930 148.9027       24.62682 26.40715 11.62555 53.07509 4.791922 -26.66794      12.57442 
1 1 1 -19 34 4  o 19.96457 8.198601 16.71444       25.67222 -40.63000      54.00480 33.45612       29.18006 19.36239 9.361340 23.89548 9.064106 -4.533091      13.03045 
1 1 1 -19 34 5  o 15.34614 7.073587 -9.809433      24.64221 -45.51000      52.29005 0.3826907      27.93920 18.75823 9.102928 17.67456 7.898746 1.083672       12.05212 
1 1 1 -19 34 6  o 26.52695 7.597609 42.27296       20.73575 17.51000       53.28336 46.69253       22.51023 23.85195 10.76289 27.68445 7.911826 -3.832495      13.35802 
1 1 1 -19 34 7  o 43.99823 5.307842 104.4174       22.39778 23.99000       55.81194 119.8565       24.45324 24.70096 11.09174 47.09288 5.402589 -22.39192      12.33753 
1 1 1 -19 34 8  o 19.26728 8.641047 2.881128       33.75776 11.81000       53.77248 -2.927000      43.36905 23.25925 10.61941 20.39044 9.393402 2.868811       14.17772 
1 1 1 -19 34 9  o 55.82997 5.312515 167.9599       28.68229 32.82000       58.60202 210.5313       32.89119 25.62217 11.44578 62.41136 5.438313 -36.78919      12.67206 
1 1 1 -19 34 10 o 15.72068 6.905180 1.552653       20.46386 108.0000       54.83753 -15.66925      22.05724 36.05647 12.60974 13.68603 6.434849 22.37044       14.15672 
1 1 1 -19 34 11 o 32.63253 10.08158 73.86357       35.44148 19.36000       55.41038 111.6000       46.10617 23.92361 10.86716 38.70275 11.40129 -14.77915      15.75070 
1 1 1 -19 34 12 o 27.39716 8.599966 48.00222       25.67872 18.59000       54.92569 56.22909       29.04886 23.71503 10.79084 29.18802 9.144738 -5.472982      14.14455 
1 1 1 -19 34 13 o 38.98499 7.080101 89.04958       26.02257 66.80000       53.26170 96.02614       29.82463 29.14239 11.86948 39.67518 7.956938 -10.53279      14.28977 
1 1 1 -19 34 14 o 28.98503 7.628351 51.46066       21.93285 49.48000       52.51963 51.87905       24.13850 26.76771 11.40494 28.66746 8.193052 -1.899744      14.04275 
1 1 1 -19 34 15 o 24.57867 8.395349 37.87838       24.25064 0.000000       0.000000 37.87838       24.25064 ?        ?        24.57867 8.395349 ?              ?        
1 1 1 -19 34 16 o 14.37286 6.719393 -13.13696      23.47492 0.000000       0.000000 -13.13696      23.47492 ?        ?        14.37286 6.719393 ?              ?        
1 1 1 -19 34 17 f 28.55689 7.827257 50.84568       22.52615 27.62000       49.76497 56.83075       25.26237 23.85147 10.60794 29.79384 8.336407 -5.942364      13.49163 
1 1 1 -19 34 18 o 40.83495 6.115597 94.12445       23.69302 29.41000       52.26352 110.8646       26.58138 24.22710 10.81676 44.16066 6.330231 -19.93356      12.53292 
1 1 1 -19 34 19 o 29.11152 7.825161 52.70621       22.77524 91.72000       52.82745 43.79923       25.24154 32.73255 12.24341 26.06409 8.560526 6.668465       14.93933 
1 1 1 -19 34 20 o 27.94168 7.782532 48.57848       22.07108 73.95000       51.41011 42.84562       24.43775 29.98521 11.84821 25.85788 8.418860 4.127325       14.53470 
1 1 1 -19 34 21 o 13.22006 6.212956 -13.97348      20.52165 -9.749000      50.03272 -14.82794      22.50152 20.26946 9.579378 13.79699 6.490860 6.472475       11.57133 
1 1 1 -19 34 22 o 25.22899 7.862355 39.94772       21.50288 20.48000       50.27411 44.30650       23.78861 22.99157 10.40692 26.25473 8.282349 -3.263159      13.30042 
1 1 1 -19 34 23 o 19.90071 7.704257 21.22297       21.37246 88.98000       50.68006 6.566349       23.57093 32.16481 11.99982 17.22496 7.491386 14.93985       14.14625 
1 1 1 -19 34 24 o 38.97004 7.266974 91.00871       26.70038 5.255000       52.06290 121.6122       31.10195 21.66822 10.08899 45.13584 7.288002 -23.46762      12.44599 
1 1 1 -19 34 25 o 21.32835 8.385013 25.69830       25.63264 11.23000       51.03346 30.57980       29.64304 22.05961 10.17218 22.62481 8.978718 -0.5652027     13.56800 
1 1 1 -19 34 26 o 24.80061 9.554729 41.09328       32.75630 19.40000       51.98273 55.38000       42.18547 22.88839 10.44668 27.17031 10.73373 -4.281918      14.97819 
1 1 1 -19 34 27 o 27.48750 7.905728 48.14911       22.40682 26.35000       51.51946 53.23444       24.88350 23.41565 10.57303 28.51988 8.369000 -5.104225      13.48441 
1 1 1 -19 34 28 o 34.33627 8.843777 78.69138       29.90396 0.000000       0.000000 78.69138       29.90396 ?        ?        34.33627 8.843777 ?              ?        
1 1 1 -19 34 29 o 23.35344 8.450799 34.90538       24.82683 20.96000       54.70567 38.52251       27.86117 23.02039 10.58493 24.16034 8.918974 -1.139950      13.84156 
1 1 1 -19 34 30 o 21.08766 7.784238 26.67908       21.22225 51.51000       51.53763 21.60893       23.28833 25.90245 11.17138 19.98282 7.949215 5.919628       13.71093 
1 1 1 -19 34 31 o 20.43534 7.937920 24.12677       22.74666 0.000000       0.000000 24.12677       22.74666 ?        ?        20.43534 7.937920 ?              ?        
1 1 1 -19 34 32 o 14.41711 6.571773 -3.787804      20.48682 33.21000       51.02229 -10.89927      22.36926 23.38819 10.54479 14.01264 6.553679 9.375550       12.41545 
1 1 1 -19 34 33 o 17.30031 7.444088 10.30940       22.78192 -3.614000      49.69690 14.01382       25.63404 19.80116 9.413099 18.46271 7.919535 1.338453       12.30144 
1 1 1 -19 34 34 o 16.22112 7.637512 -10.58105      31.26654 27.77000       49.61750 -35.84000      40.26743 22.39069 10.21443 16.02000 7.821818 6.370687       12.86528 
1 1 1 -19 35 1  o 19.10956 7.392512 18.18953       19.66701 -7.459000      50.37586 22.80176       21.36225 20.84096 9.775414 20.52486 7.762290 0.3160992      12.48246 
1 1 1 -19 35 2  o 15.59889 6.797631 2.790477       19.48862 -16.84000      50.80270 6.177761       21.10314 20.16082 9.564753 16.71205 7.177396 3.448771       11.95824 
1 1 1 -19 35 3  o 21.68917 8.536802 25.53593       26.59611 27.30000       53.45182 24.95548       30.66106 24.39354 10.91166 21.98629 8.986455 2.407249       14.13580 
1 1 1 -19 35 4  o 56.24517 4.448833 166.4951       24.29342 108.5000       57.17331 179.2730       26.83654 35.23099 12.81351 58.08228 4.762157 -22.85129      13.66982 
1 1 1 -19 35 5  o 43.77642 6.985029 111.4144       28.92530 109.2000       55.32925 112.2472       33.93137 35.63092 12.64853 42.42133 8.468452 -6.790401      15.22169 
1 1 1 -19 35 6  o 23.96404 8.765223 35.68474       26.80863 3.349000       52.11684 47.31939       31.26175 21.87666 10.15475 26.59413 9.500429 -4.717468      13.90601 
1 1 1 -19 35 7  o 31.97249 7.069714 60.62051       21.53680 76.02000       52.23640 57.46669       23.63953 30.43412 11.96843 30.45145 7.873302 -0.1732635E-01 14.32593 
1 1 1 -19 35 8  o 24.16990 7.722330 35.83035       20.62437 -22.85000      51.52874 47.02419       22.50571 19.70706 9.428082 27.43348 7.933244 -7.726427      12.32173 
1 1 1 -19 35 9  f 20.15907 8.824522 12.35198       33.16590 -18.14000      51.09074 34.56000       43.60179 19.97567 9.509710 24.41146 10.39602 -4.435793      14.08942 
1 1 1 -19 35 10 o 16.79095 7.634078 -3.231026      27.42114 -19.59000      48.73516 4.347000       33.16977 19.48921 9.280879 19.05642 8.554465 0.4327965      12.62195 
1 1 1 -19 35 11 o 18.49270 7.748034 12.85414       23.58188 105.2000       50.24284 -13.23724      26.70631 35.62654 12.08556 15.32696 7.165935 20.29958       14.05031 
1 1 1 -19 35 12 o 14.56678 6.669607 -6.526251      21.40949 -0.6079000     49.72295 -7.873206      23.72100 21.06581 9.825568 15.10126 6.953267 5.964546       12.03701 
1 1 1 -19 35 13 o 31.11357 7.534800 59.28571       22.70053 -1.780000      51.84520 73.76967       25.24955 21.19422 9.933382 34.74229 7.633756 -13.54807      12.52782 
1 1 1 -19 35 14 o 37.52259 7.371446 84.49621       26.10772 0.000000       0.000000 84.49621       26.10772 ?        ?        37.52259 7.371446 ?              ?        
1 1 1 -19 35 15 o 15.48209 6.968171 -2.018805      22.17052 -44.59000      50.81530 7.990034       24.63931 18.09480 8.824306 17.78215 7.696859 0.3126488      11.70940 
1 1 1 -19 35 16 o 16.46673 7.184081 4.419537       21.82114 4.424000       49.06934 4.418437       24.36267 21.41914 9.911391 17.11285 7.524899 4.306286       12.44427 
1 1 1 -19 35 17 o 16.56292 7.195552 5.281010       21.69644 -11.47000      48.83624 9.400286       24.21766 19.97596 9.447694 17.90832 7.689951 2.067644       12.18172 
1 1 1 -19 35 18 o 25.15226 8.071783 40.21799       22.51468 -1.816000      49.92816 50.94733       25.22503 20.83512 9.759589 27.91828 8.482871 -7.083157      12.93092 
1 1 1 -19 35 19 o 33.40934 7.244620 67.30462       23.00754 81.09000       51.36214 63.84412       25.73377 30.74570 11.93217 31.59081 8.238209 -0.8451099     14.49982 
1 1 1 -19 35 20 o 26.13131 7.996438 43.47941       22.36255 2.107000       51.02114 53.31723       24.87965 21.25856 9.927864 28.64382 8.358115 -7.385263      12.97770 
1 1 1 -19 35 21 o 15.27164 6.896175 -2.384462      21.92169 82.49000       50.43714 -22.15203      24.34101 30.93041 11.87172 13.54606 6.480404 17.38434       13.52529 
1 1 1 -19 35 22 o 33.31059 7.322636 67.39603       23.22373 -32.37000      51.13358 93.32381       26.06739 18.72334 9.066011 39.73048 6.956291 -21.00714      11.42727 
1 1 1 -19 35 23 o 17.00690 7.326996 7.546874       22.12389 -11.63000      50.74288 12.04796       24.58355 20.06066 9.529335 18.36660 7.813395 1.694061       12.32304 
1 1 1 -19 35 24 o 26.81310 9.931462 51.65647       34.59688 44.21000       52.87826 57.23000       45.74750 25.41694 11.13390 27.19134 11.02788 -1.774403      15.67093 
1 1 1 -19 35 25 o 17.08195 7.976295 -9.432204      32.91570 -17.60000      51.01049 -3.605000      43.08610 19.53575 9.355367 19.49463 9.110381 0.4111481E-01  13.05840 
1 1 1 -19 35 26 o 15.97689 7.101778 1.925382       22.27327 14.11000       50.43071 -1.027379      24.82580 21.96803 10.12347 16.18607 7.321095 5.781963       12.49332 
1 1 1 -19 35 27 o 43.88232 8.031140 120.8264       33.22551 0.000000       0.000000 120.8264       33.22551 ?        ?        43.88232 8.031140 ?              ?        
1 1 1 -19 35 28 o 23.56510 8.487073 36.41745       25.00400 34.81000       51.14534 36.92229       28.66280 23.87045 10.67595 23.58301 8.974525 0.2874451      13.94697 
1 1 1 -19 35 29 o 33.49994 7.005878 68.24664       22.23279 -14.55000      52.30001 86.50912       24.56266 19.62398 9.417494 37.97862 6.859780 -18.35464      11.65100 
1 1 1 -19 35 30 o 25.03145 7.874229 41.12582       21.51634 -27.24000      51.27342 55.73801       23.70448 18.53377 8.998652 29.04656 8.056040 -10.51279      12.07789 
1 1 1 -19 35 31 o 25.84886 7.685251 43.77768       20.87068 58.58000       51.44863 40.86200       22.83385 25.85083 11.15550 24.60017 8.144835 1.250660       13.81244 
1 1 1 -19 35 32 o 28.78269 9.794112 64.70176       32.99953 80.57000       51.32587 53.52000       43.08509 28.55193 11.64322 25.36760 10.53853 3.184328       15.70430 
1 1 1 -19 36 1  o 24.44804 7.655951 36.95348       20.36286 29.92000       48.30748 38.47326       22.45533 23.92187 10.55449 24.71782 8.071676 -0.7959576     13.28718 
1 1 1 -19 36 2  o 21.74450 7.602921 28.13187       19.93483 28.64000       48.15582 28.02679       21.89936 23.75942 10.50787 21.76362 7.928037 1.995800       13.16317 
1 1 1 -19 36 3  o 25.27793 7.660903 39.65361       20.59154 -60.17000      48.37960 61.73801       22.75560 16.75576 8.259581 31.85209 7.434721 -15.09633      11.11286 
1 1 1 -19 36 4  o 26.23793 8.969520 45.70470       27.68232 41.33000       48.73326 47.78871       33.63576 25.29819 10.88652 26.32388 9.784602 -1.025681      14.63744 
1 1 1 -19 36 5  o 47.21152 5.157159 121.1514       23.44508 39.75000       50.59102 143.4145       26.45764 25.14660 10.95537 51.20113 5.358425 -26.05453      12.19561 
1 1 1 -19 36 6  o 20.81229 8.398664 22.62933       26.38483 -3.511000      47.01373 34.64800       31.87846 20.35076 9.512466 23.61731 9.330571 -3.266552      13.32466 
1 1 1 -19 36 7  o 19.57022 8.708875 8.689856       33.59105 36.68000       48.45393 -17.21000      46.60957 24.67197 10.73539 19.16701 9.112891 5.504961       14.08167 
1 1 1 -19 36 8  o 35.66567 6.827016 74.69422       22.96567 43.10000       51.49615 82.53796       25.65858 25.56846 11.09689 37.07167 7.330891 -11.50320      13.29973 
1 1 1 -19 36 9  o 44.59695 6.459551 114.0536       27.37763 11.17000       53.07094 151.3613       31.95828 22.38819 10.34136 51.39665 6.497407 -29.00846      12.21311 
1 1 1 -19 36 10 o 29.07951 9.373354 58.05864       30.33807 -49.82000      50.38916 119.4000       37.99672 17.68441 8.658944 42.35080 9.410301 -24.66639      12.78793 
1 1 1 -19 36 11 o 38.20731 7.350676 87.55387       26.49244 -24.47000      52.15699 126.5054       30.75529 19.53725 9.383370 46.47506 6.975875 -26.93780      11.69233 
1 1 1 -19 36 12 o 30.73806 8.200110 60.20426       25.12692 0.000000       0.000000 60.20426       25.12692 ?        ?        30.73806 8.200110 ?              ?        
1 1 1 -19 36 13 o 16.61360 7.709037 -8.774195      29.99588 0.000000       0.000000 -8.774195      29.99588 ?        ?        16.61360 7.709037 ?              ?        
1 1 1 -19 36 14 o 55.40741 4.778901 164.6881       25.66499 96.60000       56.07013 182.7348       28.86655 32.41473 12.49745 57.99149 5.138522 -25.57676      13.51262 
1 1 1 -19 36 15 o 20.77178 7.921013 24.51015       22.35740 -33.57000      50.03350 39.00059       24.99123 18.48161 8.953491 24.55085 8.517150 -6.069237      12.35746 
1 1 1 -19 36 16 o 17.31635 7.385280 9.138461       22.06104 -4.363000      50.75908 12.28280       24.49560 20.66948 9.731747 18.41887 7.816109 2.250612       12.48193 
1 1 1 -19 36 17 o 16.10304 7.122380 2.493746       22.12906 8.563000       49.39613 0.9698206      24.75182 21.54760 9.961504 16.53955 7.409858 5.008057       12.41521 
1 1 1 -19 36 18 o 26.13951 8.150412 44.12088       23.10408 -12.90000      50.22267 59.42759       26.02099 19.86885 9.450262 30.08924 8.475526 -10.22039      12.69417 
1 1 1 -19 36 19 o 38.36038 6.665827 86.10667       24.12111 60.78000       51.06010 93.38249       27.36741 27.48743 11.45018 39.26394 7.392041 -11.77651      13.62897 
1 1 1 -19 36 20 o 49.88454 5.302936 136.6712       25.49705 152.0000       53.61026 132.1903       28.98507 42.90440 12.19298 48.00508 6.322038 -5.100677      13.73452 
1 1 1 -19 36 21 o 16.20779 7.179042 2.593267       22.56156 -28.98000      48.55917 11.28544       25.47860 18.44415 8.907452 18.35594 7.884969 0.8820724E-01  11.89603 
1 1 1 -19 36 22 o 17.32339 7.442574 8.958869       22.70638 61.22000       51.85238 -3.440428      25.25677 27.26975 11.46132 15.96291 7.284239 11.30684       13.58020 
1 1 1 -19 36 23 o 21.43468 8.496277 26.92652       26.51324 50.44000       51.32674 18.36892       30.96429 25.80269 11.13854 20.29250 8.704233 5.510187       14.13615 
1 1 1 -19 36 24 o 16.81079 7.481060 3.417554       24.78834 -5.639000      50.14749 6.345976       28.51573 20.19266 9.557172 18.04556 8.027595 2.147106       12.48126 
1 1 1 -19 36 25 o 16.68683 7.656565 -3.460247      28.41716 0.000000       0.000000 -3.460247      28.41716 ?        ?        16.68683 7.656565 ?              ?        
1 1 1 -19 36 26 o 22.85806 8.608871 34.05872       26.21416 0.000000       0.000000 34.05872       26.21416 ?        ?        22.85806 8.608871 ?              ?        
1 1 1 -19 36 27 o 21.03018 8.337494 26.42338       25.53599 31.90000       51.16462 24.60663       29.46866 23.26529 10.51787 20.94762 8.710072 2.317673       13.65617 
1 1 1 -19 36 28 o 17.18172 7.539846 7.727294       24.34653 -72.20000      50.20755 32.29996       27.83862 15.96177 7.960567 22.24562 8.740569 -6.283858      11.82236 
1 1 1 -19 36 29 o 14.55094 6.616912 -2.427342      20.61302 -71.67000      49.43101 12.14812       22.67899 15.75182 7.862561 17.56038 7.488636 -1.808557      10.85816 
1 1 1 -19 36 30 o 16.20156 7.005418 7.741606       20.36885 72.05000       50.04324 -5.027832      22.29962 27.35954 11.36114 14.61367 6.733444 12.74587       13.20662 
1 1 1 -19 37 1  o 37.91494 6.171811 81.86932       22.11785 88.40000       48.08592 80.11687       24.90926 32.52507 11.76224 36.58961 7.211516 -4.064541      13.79696 
1 1 1 -19 37 2  o 32.19286 7.140693 62.25557       21.91188 23.57000       48.24918 72.30731       24.59439 23.09402 10.34597 34.43602 7.508683 -11.34201      12.78356 
1 1 1 -19 37 3  o 34.80307 6.706919 70.95514       22.01945 -39.72000      49.86228 97.76728       24.54216 18.12221 8.816007 41.39948 6.250920 -23.27727      10.80722 
1 1 1 -19 37 4  o 32.44010 8.730754 69.31475       28.33028 -20.96000      48.67963 115.5497       34.83771 19.15238 9.162992 42.40474 8.685635 -23.25236      12.62540 
1 1 1 -19 37 5  o 21.17522 7.858568 26.21518       21.68129 61.50000       48.57814 17.43806       24.22830 27.85452 11.33910 19.39357 7.964472 8.460949       13.85669 
1 1 1 -19 37 6  o 16.29817 7.078863 5.191933       20.98818 38.69000       47.79657 -2.810210      23.36093 24.69982 10.70551 15.62271 7.080501 9.077106       12.83517 
1 1 1 -19 37 7  o 15.34261 7.011513 -4.980285      23.51314 16.65000       48.26193 -11.71247      26.92474 22.22508 10.11374 15.44308 7.212008 6.782000       12.42178 
1 1 1 -19 37 8  o 22.21786 9.286089 27.24253       33.74900 36.74000       49.78998 19.17000       45.90319 24.48138 10.76149 22.24287 10.01747 2.238514       14.70235 
1 1 1 -19 37 9  o 29.18495 8.829216 57.29581       27.36805 71.64000       51.03486 51.50563       32.42461 29.06014 11.69699 26.97076 9.670801 2.089378       15.17709 
1 1 1 -19 37 10 o 18.72375 7.627696 16.12413       22.00141 -59.52000      52.38575 32.32463       24.24319 17.36805 8.567730 22.78546 8.335103 -5.417402      11.95324 
1 1 1 -19 37 11 o 25.73675 9.231798 45.10760       29.55065 0.000000       0.000000 45.10760       29.55065 ?        ?        25.73675 9.231798 ?              ?        
1 1 1 -19 37 12 o 40.17167 7.392975 97.76033       27.99916 9.848000       53.20313 131.4349       32.92786 22.00443 10.22974 46.59556 7.472053 -24.59113      12.66804 
1 1 1 -19 37 13 o 32.15728 7.473656 63.78091       23.07567 18.44000       51.56210 75.13630       25.80397 22.58686 10.34502 34.68365 7.791465 -12.09680      12.95092 
1 1 1 -19 37 14 f 27.42398 8.069947 48.52923       23.10949 26.52000       51.56195 54.06160       25.85131 23.36807 10.56203 28.51265 8.571289 -5.144585      13.60233 
1 1 1 -19 37 15 f 24.77836 8.238927 39.75417       23.35810 -21.18000      49.88443 56.86597       26.43518 19.16847 9.198514 29.19150 8.641847 -10.02303      12.62118 
1 1 1 -19 37 16 o 46.99172 5.553022 122.7959       25.04926 15.11000       51.61245 155.9769       28.64970 22.24298 10.24700 52.93678 5.614634 -30.69380      11.68440 
1 1 1 -19 37 17 o 34.06666 7.284247 70.69102       23.55390 91.41000       50.10780 64.81445       26.68599 32.14892 11.94388 31.37929 8.485853 0.7696362      14.65149 
1 1 1 -19 37 18 o 28.35909 8.056757 51.96835       23.41093 44.67000       49.29087 54.09430       26.60301 25.20632 10.89834 28.30653 8.732662 -3.100206      13.96543 
1 1 1 -19 37 19 o 25.33761 8.222087 42.11341       23.31932 12.62000       49.15496 50.67893       26.48998 21.62955 9.977218 27.28380 8.755388 -5.654251      13.27410 
1 1 1 -19 37 20 o 13.25065 6.299476 -17.67129      22.26382 22.98000       47.04028 -29.40608      25.27380 22.41462 10.11366 13.05719 6.334531 9.357429       11.93367 
1 1 1 -19 37 21 o 16.59211 7.496884 0.3389210      25.95193 -22.83000      46.56600 10.77738       31.25605 18.35079 8.827100 19.11948 8.460226 -0.7686901     12.22674 
1 1 1 -19 37 22 o 21.99010 8.106818 30.13199       23.00483 54.96000       47.91119 22.69280       26.22580 26.30359 11.03377 20.46638 8.331495 5.837206       13.82599 
1 1 1 -19 37 23 o 20.14874 7.883267 23.17517       22.56450 -37.16000      50.01293 38.59584       25.28416 17.87041 8.723507 24.00183 8.547305 -6.131416      12.21294 
1 1 1 -19 37 24 o 16.33396 7.568740 -5.776510      28.76226 0.000000       0.000000 -5.776510      28.76226 ?        ?        16.33396 7.568740 ?              ?        
1 1 1 -19 37 25 o 25.33579 8.930915 45.53298       27.54491 17.13000       51.95985 56.63489       32.48514 21.74850 10.11033 27.30320 9.691857 -5.554697      14.00539 
1 1 1 -19 37 26 o 29.71723 7.941881 58.45918       23.54330 87.58000       52.24395 51.03839       26.37299 29.60969 11.86352 26.81533 8.746900 2.794359       14.73945 
1 1 1 -19 37 27 o 25.20041 8.643197 45.22721       25.70975 104.5000       51.31116 25.35808       29.70801 32.10733 12.05462 20.71909 8.689645 11.38824       14.86014 
1 1 1 -19 37 28 o 24.07882 7.985514 39.33496       21.94678 30.07000       50.42033 41.50069       24.37726 22.37189 10.24028 24.34729 8.413632 -1.975403      13.25340 
1 1 1 -19 38 1  o 24.36575 7.976207 37.93254       21.92104 52.74000       47.83294 33.99582       24.66346 26.32431 11.03244 23.12606 8.415128 3.198254       13.87549 
1 1 1 -19 38 2  o 34.02447 9.888039 83.36057       34.88443 97.00000       49.45151 69.85000       49.21738 33.28963 11.94226 28.74900 11.51609 4.540632       16.59030 
1 1 1 -19 38 3  o 21.93010 7.830379 29.45353       21.23431 -7.210000      47.01107 38.85095       23.80058 19.76939 9.325624 24.45551 8.317797 -4.686115      12.49612 
1 1 1 -19 38 4  o 23.38113 7.960764 34.60496       21.80199 -44.82000      47.87918 55.38147       24.48807 17.30042 8.464519 29.16073 8.224916 -11.86032      11.80243 
1 1 1 -19 38 5  o 27.33451 7.969949 48.06690       22.63007 74.71000       49.70596 41.10033       25.41708 29.41306 11.64135 24.92118 8.592125 4.491877       14.46878 
1 1 1 -19 38 6  o 25.36642 8.611764 42.80437       25.51131 48.78000       50.89853 40.79951       29.48193 25.74093 11.10181 24.60673 9.157799 1.134207       14.39151 
1 1 1 -19 38 7  o 22.44630 8.071747 31.39831       22.60659 10.61000       49.37197 36.91290       25.42888 21.58195 9.970901 23.82477 8.561615 -2.242819      13.14230 
1 1 1 -19 38 8  o 20.10574 7.796228 22.44974       21.91245 -41.59000      49.38435 38.14876       24.45123 17.73817 8.661029 24.19713 8.422877 -6.458960      12.08132 
1 1 1 -19 38 9  o 21.88419 9.146640 26.49498       32.74305 0.000000       0.000000 26.49498       32.74305 ?        ?        21.88419 9.146640 ?              ?        
1 1 1 -19 38 10 o 17.24880 7.978308 -5.459805      31.74649 0.000000       0.000000 -5.459805      31.74649 ?        ?        17.24880 7.978308 ?              ?        
1 1 1 -19 38 11 o 16.30807 7.379841 -0.9442810     25.26204 4.454000       50.18769 -2.776122      29.23569 21.08917 9.847995 17.00698 7.789506 4.082191       12.55625 
1 1 1 -19 38 12 o 22.48211 8.623638 31.50610       26.60217 -48.45000      50.14354 62.82452       31.38262 17.44781 8.562556 29.63471 9.531612 -12.18690      12.81285 
1 1 1 -19 38 13 o 22.58392 8.590387 32.01997       26.25411 9.260000       49.75986 40.80005       30.90599 21.44199 9.942451 24.50741 9.320802 -3.065420      13.62827 
1 1 1 -19 38 14 o 21.86734 8.061981 29.42352       22.75157 47.08000       49.83035 24.77334       25.57269 25.39780 10.96941 20.90819 8.325826 4.489613       13.77125 
1 1 1 -19 38 15 f 30.40936 7.933071 59.47588       23.85688 44.36000       49.55868 64.03529       27.21808 24.93277 10.85288 30.81164 8.664524 -5.878870      13.88737 
1 1 1 -19 38 16 o 18.72599 7.712439 16.42987       22.80430 6.315000       47.19694 19.51042       26.04644 20.73150 9.636962 19.79084 8.205393 0.9406624      12.65699 
1 1 1 -19 38 17 o 30.84775 7.852845 61.01344       23.76913 -8.449000      47.71785 83.93623       27.41193 19.53840 9.269565 36.32792 7.931807 -16.78952      12.19993 
1 1 1 -19 38 18 o 14.07176 6.594924 -12.07609      22.84847 2.537000       47.84837 -16.39245      26.00489 20.45405 9.572381 14.51442 6.873398 5.939626       11.78448 
1 1 1 -19 38 19 o 13.25041 6.319885 -18.94731      22.78305 9.944000       47.64961 -27.50982      25.94038 21.06108 9.753134 13.39802 6.480181 7.663057       11.70967 
1 1 1 -19 38 20 o 11.88423 5.890460 -46.13272      25.84065 -77.09000      45.90035 -31.76863      31.26609 15.05674 7.524929 14.46474 7.023939 0.5919991      10.29370 
1 1 1 -19 38 21 f 23.85952 8.258630 38.06267       23.49128 -15.82000      48.89275 54.23456       26.78554 18.92726 9.088996 27.81974 8.790222 -8.892483      12.64428 
1 1 1 -19 38 22 o 19.18381 8.040778 18.06926       25.41291 0.000000       0.000000 18.06926       25.41291 ?        ?        19.18381 8.040778 ?              ?        
1 1 1 -19 38 23 o 13.25294 6.331392 -18.47168      23.06254 -52.81000      51.42914 -9.828407      25.80233 16.95283 8.386117 14.99837 7.022455 1.954461       10.93809 
1 1 1 -19 38 24 o 18.35919 7.982415 13.38264       26.74632 34.54000       50.00763 4.905403       31.65431 22.85143 10.35779 17.92953 8.171309 4.921900       13.19296 
1 1 1 -19 38 25 o 16.38337 7.441566 1.776658       25.97763 -7.043000      49.28101 5.170375       30.56972 19.11897 9.166306 17.69126 8.050058 1.427711       12.19937 
1 1 1 -19 38 26 o 21.34846 8.980373 29.62672       31.87696 59.75000       50.64341 9.861000       41.02306 25.26874 10.98538 19.53160 9.046502 5.737139       14.23088 
1 1 1 -19 39 1  o 40.21734 6.971974 96.63051       26.45157 0.000000       0.000000 96.63051       26.45157 ?        ?        40.21734 6.971974 ?              ?        
1 1 1 -19 39 2  o 38.25186 6.448766 85.35731       23.28767 68.02000       50.66697 90.00082       26.22147 28.12825 11.53076 38.54134 7.215758 -10.41310      13.60241 
1 1 1 -19 39 3  o 23.57885 8.308792 36.01723       23.83953 26.81000       48.98968 38.87402       27.28848 23.01740 10.35905 24.14497 8.841410 -1.127569      13.61912 
1 1 1 -19 39 4  o 17.22523 7.481064 7.766640       23.43798 12.43000       48.99286 6.382620       26.69036 21.59077 9.959839 17.68641 7.822410 3.904360       12.66446 
1 1 1 -19 39 5  o 31.71973 8.310065 65.88811       26.10540 -30.64000      49.15593 103.8075       30.80916 18.28645 8.862659 40.50027 8.055296 -22.21383      11.97642 
1 1 1 -19 39 6  o 45.92981 5.584737 117.9739       24.59208 35.85000       51.72682 141.9569       27.95325 24.08856 10.75757 50.18327 5.797175 -26.09470      12.22017 
1 1 1 -19 39 7  o 22.92916 8.449216 33.75917       24.98439 0.000000       0.000000 33.75917       24.98439 ?        ?        22.92916 8.449216 ?              ?        
1 1 1 -19 39 8  o 15.68126 7.129448 -2.454609      23.91467 0.000000       0.000000 -2.454609      23.91467 ?        ?        15.68126 7.129448 ?              ?        
1 1 1 -19 39 9  o 20.84071 7.960002 25.79141       22.60124 7.134000       48.50210 30.96642       25.54411 20.93057 9.742952 22.18776 8.465333 -1.257189      12.90686 
1 1 1 -19 39 10 o 21.79358 8.654021 29.02249       27.55353 -5.371000      48.83297 45.08651       33.37352 19.89305 9.420015 25.07085 9.648116 -5.177799      13.48417 
1 1 1 -19 39 11 o 13.02553 6.350499 -32.93319      26.26887 -2.632000      47.90772 -45.96009      31.41205 19.97872 9.421242 13.52391 6.664353 6.454818       11.54008 
1 1 1 -19 39 12 o 21.46949 8.118415 28.38967       23.36549 27.85000       49.95168 28.54083       26.43590 22.93589 10.37842 21.61673 8.510207 1.319155       13.42144 
1 1 1 -19 39 13 o 44.91190 6.830594 120.2476       29.08305 58.20000       52.25797 148.0882       35.00488 26.36042 11.30739 48.98175 7.542805 -22.62133      13.59231 
1 1 1 -19 39 14 o 18.31666 7.936308 11.50361       26.25016 71.59000       48.34637 -13.61546      31.25918 28.48972 11.41322 16.11761 7.603436 12.37212       13.71400 
1 1 1 -19 39 15 f 18.93813 7.778974 17.54626       23.11874 -5.619000      47.35793 24.79400       26.48959 19.62277 9.287475 20.80303 8.408031 -1.180260      12.52806 
1 1 1 -19 39 16 o 19.52138 7.881115 20.51338       23.24427 9.336000       47.39220 24.05386       26.67278 20.77799 9.657995 20.58125 8.393206 0.1967392      12.79542 
1 1 1 -19 39 17 o 23.73652 8.269250 37.77004       23.56995 44.08000       48.35198 35.80330       26.99442 24.34544 10.65608 23.04959 8.723805 1.295847       13.77159 
1 1 1 -19 39 18 o 24.90536 9.006096 44.28346       28.19048 114.0000       50.20549 12.18175       34.06806 34.76115 12.07121 19.39904 8.691900 15.36211       14.87492 
1 1 1 -19 39 19 o 20.97473 8.108332 27.50899       23.64781 58.07000       49.09097 18.27451       26.98510 25.79811 11.01015 19.33609 8.204439 6.462025       13.73085 
1 1 1 -19 39 20 o 25.35305 8.289520 44.44219       23.68024 42.17000       49.25481 45.12527       27.00613 23.70447 10.54734 25.02488 8.841211 -1.320410      13.76275 
1 1 1 -19 39 21 o 15.83487 7.278349 -2.287781      25.83323 0.000000       0.000000 -2.287781      25.83323 ?        ?        15.83487 7.278349 ?              ?        
1 1 1 -19 39 22 o 17.63319 7.568244 12.88785       23.43648 7.522000       47.22026 14.64168       26.99625 19.93738 9.386848 18.45634 8.022192 1.481039       12.34781 
1 1 1 -19 39 23 o 14.10835 6.724645 -16.40291      25.70669 -29.17000      46.06564 -10.62898      30.97898 17.16968 8.379422 15.94292 7.535591 1.226757       11.26942 
1 1 1 -19 40 1  o 20.18172 7.816141 23.62065       22.00425 11.78000       48.13416 26.74885       24.74076 21.16171 9.800733 21.08593 8.253284 0.7577896E-01  12.81293 
1 1 1 -19 40 2  o 28.71103 7.954136 53.87325       23.12274 15.61000       50.07343 64.24380       26.06858 21.68084 10.02538 30.99178 8.389694 -9.310942      13.07269 
1 1 1 -19 40 3  o 15.06061 7.090894 -13.22828      26.94766 0.000000       0.000000 -13.22828      26.94766 ?        ?        15.06061 7.090894 ?              ?        
1 1 1 -19 40 4  o 26.86252 8.133783 47.94160       23.21939 22.65000       50.07172 54.87018       26.20756 22.32711 10.21414 28.23999 8.659458 -5.912882      13.39085 
1 1 1 -19 40 5  o 29.06922 8.651140 57.96214       26.43627 45.58000       49.86649 62.80251       31.17817 24.77101 10.83251 29.25687 9.508125 -4.485859      14.41345 
1 1 1 -19 40 6  o 22.13494 8.535212 31.16499       26.15519 0.000000       0.000000 31.16499       26.15519 ?        ?        22.13494 8.535212 ?              ?        
1 1 1 -19 40 7  o 13.80456 6.472102 -11.83408      22.04004 -29.26000      47.81610 -7.132979      24.83568 17.97014 8.716815 15.21701 7.044887 2.753135       11.20773 
1 1 1 -19 40 8  o 29.25296 8.024483 56.13243       23.66477 19.59000       48.89791 67.30922       27.04271 21.94741 10.06038 31.57304 8.544145 -9.625626      13.19900 
1 1 1 -19 40 9  o 23.84488 8.220458 37.69086       23.26557 -30.65000      47.07784 59.77517       26.76197 17.73868 8.614931 29.47001 8.687548 -11.73133      12.23481 
1 1 1 -19 40 10 o 15.05939 6.868036 -3.095352      22.41201 80.66000       46.45813 -28.49913      25.58613 29.89900 11.41422 13.13826 6.373789 16.76074       13.07324 
1 1 1 -19 40 11 o 15.94922 7.372324 -5.114174      27.04136 -3.719000      46.51056 -5.826606      33.23603 19.46502 9.210196 17.19732 8.025157 2.267708       12.21601 
1 1 1 -19 40 12 o 21.85278 8.693645 30.59909       27.85611 15.61000       47.52606 38.44321       34.38082 21.19907 9.790006 23.41187 9.536030 -2.212793      13.66675 
1 1 1 -19 40 13 o 20.22394 8.057589 24.00116       23.96383 10.15000       47.85872 28.63598       27.68435 20.68213 9.644286 21.40580 8.615397 -0.7236652     12.93203 
1 1 1 -19 40 14 o 14.07814 6.725224 -18.92911      26.01281 -67.65000      46.19910 3.687321       31.47661 15.38004 7.664995 17.85162 8.140630 -2.471578      11.18132 
1 1 1 -19 40 15 o 21.75650 8.612458 30.98710       27.20978 10.63000       47.80909 40.74020       33.09206 20.56211 9.605136 23.63677 9.451523 -3.074657      13.47553 
1 1 1 -19 40 16 o 16.86064 7.644060 2.911814       27.25470 -26.24000      46.83392 17.83981       33.51417 17.61443 8.563309 19.84807 8.772600 -2.233641      12.25923 
1 1 1 -19 40 17 o 18.74751 8.143023 15.39261       27.77506 22.53000       47.18171 11.60741       34.35959 21.38345 9.831470 19.05308 8.615857 2.330372       13.07252 
1 1 1 -19 40 18 o 17.75262 7.612711 13.39671       23.67336 -15.11000      47.26831 22.94105       27.35077 18.23082 8.800439 19.92225 8.345430 -1.691433      12.12823 
1 1 1 -19 40 19 o 19.23246 8.202228 19.33792       27.21018 0.000000       0.000000 19.33792       27.21018 ?        ?        19.23246 8.202228 ?              ?        
1 1 1 -19 40 20 o 22.74788 8.772254 37.53215       27.62971 -56.79000      49.41610 80.42965       33.32557 16.10234 8.009008 31.81397 9.766629 -15.71164      12.63057 
1 1 1 -19 41 1  o 22.55357 8.830855 34.33045       28.33303 -34.62000      46.49454 75.06000       35.73454 17.18773 8.394764 30.65105 10.19048 -13.46332      13.20295 
1 1 1 -19 41 2  o 22.25931 8.402914 32.84969       25.00759 -57.31000      46.41627 69.72389       29.68420 15.92333 7.892836 31.04097 9.149288 -15.11763      12.08331 
1 1 1 -19 41 3  o 22.10307 8.003848 31.94584       22.27510 -8.869000      47.28012 43.58979       25.25339 19.02014 9.080751 24.97059 8.566086 -5.950453      12.48350 
1 1 1 -19 41 4  o 26.26769 8.719973 48.97988       26.16785 0.000000       0.000000 48.97988       26.16785 ?        ?        26.26769 8.719973 ?              ?        
1 1 1 -19 41 5  o 26.41283 8.882900 50.24677       27.14157 0.000000       0.000000 50.24677       27.14157 ?        ?        26.41283 8.882900 ?              ?        
1 1 1 -19 41 6  o 16.31596 7.424209 0.3461858      26.00073 0.000000       0.000000 0.3461858      26.00073 ?        ?        16.31596 7.424209 ?              ?        
1 1 1 -19 41 7  o 23.38211 8.270102 37.27652       23.63517 -41.55000      48.77718 61.46324       27.01898 17.07744 8.393686 29.44737 8.741590 -12.36994      12.11897 
1 1 1 -19 41 8  o 26.25673 9.030376 50.71757       28.07031 -37.25000      48.03470 96.33679       34.59137 17.17104 8.417254 36.02137 9.626597 -18.85033      12.78755 
1 1 1 -19 41 9  o 27.95626 8.413381 54.52086       24.89742 10.01000       49.24325 69.80686       28.85763 20.54277 9.644858 31.10033 8.980158 -10.55756      13.17826 
1 1 1 -19 41 10 o 18.70126 7.754472 18.06601       23.26581 73.45000       47.23408 0.3242891      26.73383 27.71023 11.21751 16.37973 7.481985 11.33050       13.48379 
1 1 1 -19 41 11 o 21.79527 8.148738 31.76075       23.39575 -9.904000      47.32908 45.23385       26.91395 18.68827 8.965907 24.88291 8.822807 -6.194643      12.57893 
1 1 1 -19 41 12 o 14.76705 7.012178 -14.37837      27.42679 -11.91000      46.53190 -15.69244      33.95130 18.38560 8.838705 16.08547 7.683878 2.300125       11.71173 
1 1 1 -19 41 13 o 15.81180 7.352093 -4.668519      27.49934 -14.29000      46.44849 0.5239217      34.12215 18.14033 8.748556 17.62806 8.194258 0.5122700      11.98679 
1 1 1 -19 41 14 o 16.13198 7.234537 4.246554       23.65916 26.94000       47.47844 -3.250160      27.28863 21.51091 9.879886 15.88846 7.365772 5.622445       12.32342 
1 1 1 -19 41 15 o 29.83590 10.06284 74.07941       34.83033 35.04000       49.01535 113.9000       49.50332 22.38770 10.18954 33.39020 11.95204 -11.00250      15.70599 
1 1 1 -19 41 16 o 18.92329 9.031963 -1.482000      46.70412 -1.482000      46.70412 0.000000       0.000000 18.92329 9.031963 ?        ?        ?              ?        
1 1 1 -19 42 1  o 18.16100 7.597506 16.58669       22.62236 -16.05000      47.44693 26.18892       25.73602 18.10416 8.758230 20.38104 8.269369 -2.276873      12.04529 
1 1 1 -19 42 2  o 39.09918 7.302110 97.30294       26.91872 29.80000       49.89907 125.0114       31.96963 21.92020 10.09003 43.80971 7.738115 -21.88951      12.71563 
1 1 1 -19 42 3  o 18.68357 7.946532 17.62880       25.41902 0.000000       0.000000 17.62880       25.41902 ?        ?        18.68357 7.946532 ?              ?        
1 1 1 -19 42 4  o 26.09082 8.279792 48.35435       23.74228 30.95000       49.54930 53.54129       27.04980 21.97293 10.09245 26.75506 8.865159 -4.782122      13.43311 
1 1 1 -19 42 5  o 21.27278 8.110486 30.50303       23.43687 8.899000       47.96960 37.27711       26.86112 19.91672 9.402740 22.71454 8.677278 -2.797825      12.79479 
1 1 1 -19 42 6  o 23.80546 8.269934 40.40966       23.56536 38.42000       48.71061 41.01763       26.92605 22.59812 10.23483 23.54126 8.753656 -0.9431362     13.46768 
1 1 1 -19 42 7  o 19.99818 7.966280 25.19894       23.41986 -1.145000      48.59193 33.17020       26.72927 19.16500 9.165161 21.77199 8.561568 -2.606991      12.54195 
1 1 1 -19 42 8  o 29.82674 8.130459 61.69581       24.38258 53.07000       49.14015 64.51309       28.08350 24.20040 10.66253 29.36950 8.956011 -5.169098      13.92478 
1 1 1 -19 42 9  o 17.60748 7.845451 9.731093       27.35011 0.000000       0.000000 9.731093       27.35011 ?        ?        17.60748 7.845451 ?              ?        
1 1 1 -19 42 10 o 12.78302 6.292742 -37.27218      27.76572 -116.7000      48.08809 2.450525       34.00718 13.54617 6.880477 17.64522 8.194794 -4.099046      10.70026 
1 1 1 -19 42 11 o 18.00003 8.339936 5.319632       34.90934 19.77000       47.18796 -12.15000      51.88402 20.52984 9.574333 18.59168 9.032610 1.938166       13.16267 
1 1 1 -18 0  1  o 342.0075 13.32457 5818.000       444.5213 5818.000       444.5213 5818.000       444.5213 342.0075 13.32457 342.0075 13.32457 -0.000000      0.000000 
1 1 1 -18 0  2  o 155.4247 7.224674 1194.000       109.3691 1194.000       109.3691 1194.000       109.3691 155.4247 7.224674 155.4247 7.224674 0.000000       0.000000 
1 1 1 -18 0  3  o 146.6997 7.045583 1064.000       100.6360 1064.000       100.6360 1064.000       100.6360 146.6997 7.045583 146.6997 7.045583 0.000000       0.000000 
1 1 1 -18 0  4  o 265.9640 10.65765 3505.000       276.4393 3505.000       276.4393 3505.000       276.4393 265.9640 10.65765 265.9640 10.65765 -0.000000      0.000000 
1 1 1 -18 0  5  o 95.59749 6.408296 454.5000       59.33672 454.5000       59.33672 454.5000       59.33672 95.59749 6.408296 95.59749 6.408296 0.000000       0.000000 
1 1 1 -18 0  6  o 96.11358 6.596368 459.8000       61.37538 459.8000       61.37538 459.8000       61.37538 96.11358 6.596368 96.11358 6.596368 0.000000       0.000000 
1 1 1 -18 0  7  o 161.1518 7.442156 1284.000       116.8203 1284.000       116.8203 1284.000       116.8203 161.1518 7.442156 161.1518 7.442156 0.000000       0.000000 
1 1 1 -18 0  8  o 51.85876 9.573188 145.0000       43.71824 145.0000       43.71824 145.0000       43.71824 51.85876 9.573188 51.85876 9.573188 0.000000       0.000000 
1 1 1 -18 0  9  o 18.94693 9.644744 25.93259       22.43922 25.93259       22.43922 25.93259       22.43922 18.94693 9.644744 18.94693 9.644744 0.000000       0.000000 
1 1 1 -18 0  10 o 134.6489 4.764876 892.1329       62.62155 892.1329       62.62155 892.1329       62.62155 134.6489 4.764876 134.6489 4.764876 0.000000       0.000000 
1 1 1 -18 0  11 o 77.89380 4.541730 300.4226       34.35645 300.4226       34.35645 300.4226       34.35645 77.89380 4.541730 77.89380 4.541730 0.000000       0.000000 
1 1 1 -18 0  12 o 108.2017 4.542224 576.9149       47.91381 576.9149       47.91381 576.9149       47.91381 108.2017 4.542224 108.2017 4.542224 0.000000       0.000000 
1 1 1 -18 0  13 o 112.3748 4.623263 622.2213       50.65773 622.2213       50.65773 622.2213       50.65773 112.3748 4.623263 112.3748 4.623263 0.000000       0.000000 
1 1 1 -18 0  14 o 153.4923 7.031559 1165.000       105.1374 1165.000       105.1374 1165.000       105.1374 153.4923 7.031559 153.4923 7.031559 0.000000       0.000000 
1 1 1 -18 0  15 o 8.881703 6.356407 -39.98000      25.48700 -39.98000      25.48700 -39.98000      25.48700 8.881703 6.356407 8.881703 6.356407 -0.000000      0.000000 
1 1 1 -18 0  16 o 81.24731 5.917617 329.2000       46.47531 329.2000       46.47531 329.2000       46.47531 81.24731 5.917617 81.24731 5.917617 -0.000000      0.000000 
1 1 1 -18 0  17 o 88.28526 6.088605 388.2000       52.03092 388.2000       52.03092 388.2000       52.03092 88.28526 6.088605 88.28526 6.088605 -0.000000      0.000000 
1 1 1 -18 0  18 o 311.8635 8.659671 4807.127       263.8847 4807.127       263.8847 4807.127       263.8847 311.8635 8.659671 311.8635 8.659671 -0.000000      0.000000 
1 1 1 -18 0  19 o 107.9110 4.714572 574.5541       49.58141 574.5541       49.58141 574.5541       49.58141 107.9110 4.714572 107.9110 4.714572 -0.000000      0.000000 
1 1 1 -18 0  20 o 100.9922 4.672213 503.6476       45.96076 503.6476       45.96076 503.6476       45.96076 100.9922 4.672213 100.9922 4.672213 0.000000       0.000000 
1 1 1 -18 0  21 o 157.4973 5.246521 1222.326       80.67819 1222.326       80.67819 1222.326       80.67819 157.4973 5.246521 157.4973 5.246521 0.000000       0.000000 
1 1 1 -18 0  22 o 48.83899 5.662654 121.8627       26.12339 121.8627       26.12339 121.8627       26.12339 48.83899 5.662654 48.83899 5.662654 -0.000000      0.000000 
1 1 1 -18 0  23 o 221.5170 6.501211 2423.840       140.6889 2423.840       140.6889 2423.840       140.6889 221.5170 6.501211 221.5170 6.501211 -0.000000      0.000000 
1 1 1 -18 0  24 o 15.19554 9.309622 9.798000       26.51207 9.798000       26.51207 9.798000       26.51207 15.19554 9.309622 15.19554 9.309622 0.000000       0.000000 
1 1 1 -18 0  25 o 256.9261 10.60641 3319.000       265.7010 3319.000       265.7010 3319.000       265.7010 256.9261 10.60641 256.9261 10.60641 -0.000000      0.000000 
1 1 1 -18 0  26 o 76.18481 4.577428 288.4415       33.84974 288.4415       33.84974 288.4415       33.84974 76.18481 4.577428 76.18481 4.577428 -0.000000      0.000000 
1 1 1 -18 0  27 o 22.20273 9.850555 35.42476       22.59165 35.42476       22.59165 35.42476       22.59165 22.20273 9.850555 22.20273 9.850555 0.000000       0.000000 
1 1 1 -18 0  28 o 23.12789 9.935626 38.05988       23.03803 38.05988       23.03803 38.05988       23.03803 23.12789 9.935626 23.12789 9.935626 -0.000000      0.000000 
1 1 1 -18 0  29 o 53.09988 5.494940 143.6056       27.79801 143.6056       27.79801 143.6056       27.79801 53.09988 5.494940 53.09988 5.494940 -0.000000      0.000000 
1 1 1 -18 0  30 o 112.0172 4.685426 622.0170       51.16876 622.0170       51.16876 622.0170       51.16876 112.0172 4.685426 112.0172 4.685426 -0.000000      0.000000 
1 1 1 -18 0  31 o 22.60712 10.46537 37.80230       25.56226 37.80230       25.56226 37.80230       25.56226 22.60712 10.46537 22.60712 10.46537 0.000000       0.000000 
1 1 1 -18 0  32 o 10.22670 7.097530 -20.47228      24.81161 -20.47228      24.81161 -20.47228      24.81161 10.22670 7.097530 10.22670 7.097530 0.000000       0.000000 
1 1 1 -18 0  33 o 10.17460 7.090309 -22.70201      25.44371 -22.70201      25.44371 -22.70201      25.44371 10.17460 7.090309 10.17460 7.090309 -0.000000      0.000000 
1 1 1 -18 0  34 o 79.32220 5.062582 315.4811       38.93549 315.4811       38.93549 315.4811       38.93549 79.32220 5.062582 79.32220 5.062582 0.000000       0.000000 
1 1 1 -18 0  35 o 20.98492 10.78032 33.60057       28.19057 33.60057       28.19057 33.60057       28.19057 20.98492 10.78032 20.98492 10.78032 0.000000       0.000000 
1 1 1 -18 0  36 o 12.63657 8.373568 -5.137502      27.24717 -5.137502      27.24717 -5.137502      27.24717 12.63657 8.373568 12.63657 8.373568 -0.000000      0.000000 
1 1 1 -18 0  37 o 72.09519 5.506315 263.2972       38.32290 263.2972       38.32290 263.2972       38.32290 72.09519 5.506315 72.09519 5.506315 -0.000000      0.000000 
1 1 1 -18 0  38 o 75.71084 8.735033 305.0000       62.49641 305.0000       62.49641 305.0000       62.49641 75.71084 8.735033 75.71084 8.735033 -0.000000      0.000000 
1 1 1 -18 0  39 o 30.73647 14.95935 78.72000       52.86834 78.72000       52.86834 78.72000       52.86834 30.73647 14.95935 30.73647 14.95935 -0.000000      0.000000 
1 1 1 -18 0  40 f 12.35219 8.356197 -11.13735      29.76978 -11.13735      29.76978 -11.13735      29.76978 12.35219 8.356197 12.35219 8.356197 0.000000       0.000000 
1 1 1 -18 0  41 o 17.26394 10.91142 12.72000       39.40709 12.72000       39.40709 12.72000       39.40709 17.26394 10.91142 17.26394 10.91142 0.000000       0.000000 
1 1 1 -18 0  42 o 32.01075 13.65316 80.62000       43.54616 80.62000       43.54616 80.62000       43.54616 32.01075 13.65316 32.01075 13.65316 0.000000       0.000000 
1 1 1 -18 0  43 o 63.58314 6.346185 211.4156       38.52602 211.4156       38.52602 211.4156       38.52602 63.58314 6.346185 63.58314 6.346185 -0.000000      0.000000 
1 1 1 -18 0  44 o 15.61299 9.883055 9.856693       32.46949 9.856693       32.46949 9.856693       32.46949 15.61299 9.883055 15.61299 9.883055 -0.000000      0.000000 
1 1 1 -18 0  45 o 15.59491 9.928762 9.257675       33.32605 9.257675       33.32605 9.257675       33.32605 15.59491 9.928762 15.59491 9.928762 -0.000000      0.000000 
1 1 1 -18 0  46 o 22.66380 11.88364 43.74210       34.74657 43.74210       34.74657 43.74210       34.74657 22.66380 11.88364 22.66380 11.88364 0.000000       0.000000 
1 1 1 -18 0  47 o 13.06721 8.859765 -10.63938      33.84210 -10.63938      33.84210 -10.63938      33.84210 13.06721 8.859765 13.06721 8.859765 0.000000       0.000000 
1 1 1 -18 0  48 o 16.89574 10.51339 17.12558       35.09274 17.12558       35.09274 17.12558       35.09274 16.89574 10.51339 16.89574 10.51339 -0.000000      0.000000 
1 1 1 -18 0  49 o 14.08755 9.391312 -2.823421      35.14650 -2.823421      35.14650 -2.823421      35.14650 14.08755 9.391312 14.08755 9.391312 0.000000       0.000000 
1 1 1 -18 0  50 o 31.72867 12.43462 77.28745       36.95409 77.28745       36.95409 77.28745       36.95409 31.72867 12.43462 31.72867 12.43462 0.000000       0.000000 
1 1 1 -18 0  51 o 63.27918 6.774955 214.7655       40.75146 214.7655       40.75146 214.7655       40.75146 63.27918 6.774955 63.27918 6.774955 -0.000000      0.000000 
1 1 1 -18 0  52 o 14.61154 9.587085 2.972192       34.36202 2.972192       34.36202 2.972192       34.36202 14.61154 9.587085 14.61154 9.587085 -0.000000      0.000000 
1 1 1 -18 0  53 o 17.69604 11.67375 8.949000       52.01497 8.949000       52.01497 8.949000       52.01497 17.69604 11.67375 17.69604 11.67375 0.000000       0.000000 
1 1 1 -18 0  54 o 39.07924 15.11667 125.7000       54.89931 125.7000       54.89931 125.7000       54.89931 39.07924 15.11667 39.07924 15.11667 0.000000       0.000000 
1 1 1 -18 0  55 o 18.10028 11.74683 16.72000       49.59718 16.72000       49.59718 16.72000       49.59718 18.10028 11.74683 18.10028 11.74683 -0.000000      0.000000 
1 1 1 -18 0  56 o 25.15914 12.51432 57.74793       37.32680 57.74793       37.32680 57.74793       37.32680 25.15914 12.51432 25.15914 12.51432 -0.000000      0.000000 
1 1 1 -18 0  57 o 74.11079 6.318951 293.3217       45.04200 293.3217       45.04200 293.3217       45.04200 74.11079 6.318951 74.11079 6.318951 0.000000       0.000000 
1 1 1 -18 1  1  o 88.70844 4.377345 387.0475       37.89121 369.2000       53.73407 404.7000       53.43967 86.38548 6.400276 90.51190 6.066906 -4.126419      8.818780 
1 1 1 -18 1  2  f 313.4919 8.648790 4861.595       265.1385 4932.000       378.8397 4794.000       371.2018 314.0288 12.34887 309.6392 12.27182 4.389679       17.40954 
1 1 1 -18 1  3  o 179.5978 5.532592 1586.604       97.14438 1607.000       138.7633 1567.000       136.0429 180.2853 7.882413 178.0361 7.825710 2.249161       11.10739 
1 1 1 -18 1  4  o 282.9747 7.902006 3955.145       218.6582 3985.000       311.1065 3926.000       307.3857 282.7135 11.26488 280.6335 11.21278 2.080017       15.89415 
1 1 1 -18 1  5  o 53.12866 5.736534 140.3584       29.35971 169.0000       44.45434 118.2000       39.10077 57.96820 8.051697 48.19574 8.604105 9.772461       11.78391 
1 1 1 -18 1  6  o 55.30661 5.594183 151.8663       29.86852 155.0000       43.62012 149.1000       40.98396 55.42038 8.295774 54.40421 7.929257 1.016174       11.47576 
1 1 1 -18 1  7  o 47.47039 6.712661 113.1385       30.32133 127.3000       43.61336 99.89000       42.18403 49.92863 9.265121 44.01341 10.01753 5.915222       13.64527 
1 1 1 -18 1  8  o 93.63027 3.658918 430.5224       33.46866 366.0000       58.97729 461.1711       40.64767 85.88622 7.078216 96.84962 4.298479 -10.96341      8.281187 
1 1 1 -18 1  9  o 133.8118 3.869345 878.9617       50.62693 849.1000       88.80363 893.3405       61.62177 131.0776 6.946232 134.8100 4.676965 -3.732437      8.374016 
1 1 1 -18 1  10 o 148.8139 3.501481 1085.805       51.00370 1111.220       73.19086 1061.812       71.11420 150.3245 4.981051 146.9450 4.951263 3.379501       7.023238 
1 1 1 -18 1  11 o 104.6438 3.157905 537.2188       32.30884 507.9411       45.03658 568.2639       46.37605 101.6165 4.539339 107.5064 4.416506 -5.889915      6.333334 
1 1 1 -18 1  12 o 75.98021 3.281937 283.5336       24.35070 297.5984       34.60589 269.7400       34.27074 77.72072 4.569062 73.95869 4.759260 3.762032       6.597491 
1 1 1 -18 1  13 o 172.6623 4.399728 1464.539       74.29775 1531.000       129.1846 1431.689       90.82154 175.9133 7.519845 170.5431 5.447610 5.370255       9.285716 
1 1 1 -18 1  14 o 51.32035 4.339590 130.2205       21.59527 121.4000       33.51068 136.4853       28.24152 49.08876 7.187099 52.37880 5.594952 -3.290035      9.108122 
1 1 1 -18 1  15 o 119.2119 4.387185 698.8091       51.10583 676.0000       71.02301 723.3000       73.59470 116.9677 6.225786 121.0000 6.234794 -4.032265      8.810963 
1 1 1 -18 1  16 o 121.4198 4.411805 725.0745       52.34669 741.8000       74.19787 708.5000       73.86208 122.5236 6.207015 119.7125 6.325867 2.811050       8.862484 
1 1 1 -18 1  17 f 53.71461 4.353576 142.6399       22.69392 136.4474       28.63397 153.1000       37.21509 52.33862 5.680214 55.23607 7.043184 -2.897453      9.048275 
1 1 1 -18 1  18 o 41.09664 5.256339 84.45406       20.66103 94.85539       27.28767 70.48000       31.62883 43.34428 6.643177 36.92842 8.863102 6.415859       11.07639 
1 1 1 -18 1  19 o 179.0606 3.998149 1574.744       70.07534 1583.126       98.92136 1566.300       99.28262 179.1353 5.648666 178.1668 5.700324 0.9684601      8.025031 
1 1 1 -18 1  20 o 137.4066 3.499099 927.3221       47.02368 922.1450       66.17815 932.6017       66.82969 136.7802 4.951108 137.5504 4.971830 -0.7702484     7.016593 
1 1 1 -18 1  21 f 48.92229 4.093297 118.4538       19.42184 101.7526       27.30042 135.5681       27.63592 44.92667 6.387910 52.14588 5.496974 -7.219212      8.427462 
1 1 1 -18 1  22 o 256.4891 5.149406 3244.003       129.2803 3190.527       180.8803 3299.847       184.8440 253.3081 7.302802 257.5948 7.338458 -4.286713      10.35296 
1 1 1 -18 1  23 o 36.71207 5.307929 67.89124       18.52093 73.00752       23.47723 59.46000       30.13809 37.83901 6.577328 33.82308 8.961257 4.015934       11.11600 
1 1 1 -18 1  24 o 64.00630 4.010794 202.4228       25.00177 236.7000       48.16726 189.7819       29.25084 68.53740 7.291697 61.82500 4.872937 6.712402       8.770082 
1 1 1 -18 1  25 o 62.16832 3.376863 190.5686       20.47177 185.9157       28.84389 195.2915       29.06022 61.15867 4.858145 62.70787 4.770256 -1.549202      6.808591 
1 1 1 -18 1  26 o 59.30878 3.554603 173.7441       20.54087 182.2424       29.11090 165.3174       28.98784 60.49098 4.960054 57.54310 5.202703 2.947876       7.188203 
1 1 1 -18 1  27 o 63.96803 4.040741 202.7072       25.17128 196.6344       29.41908 219.3000       48.62887 62.83809 4.819786 65.54208 7.728399 -2.703995      9.108155 
1 1 1 -18 1  28 o 114.8708 3.262074 650.2197       36.64121 611.1165       50.72792 692.8762       52.98259 110.9593 4.681163 118.1927 4.588410 -7.233345      6.554906 
1 1 1 -18 1  29 o 73.78653 3.397921 268.9404       24.47536 266.2621       34.28033 271.7255       34.95636 73.07797 4.819293 73.81408 4.865294 -0.7361069     6.848114 
1 1 1 -18 1  30 o 76.71765 3.366756 290.8915       25.22054 300.1255       35.56870 281.5544       35.76658 77.57085 4.706647 75.06623 4.894421 2.504616       6.790279 
1 1 1 -18 1  31 o 78.45546 3.417781 304.5675       26.18366 327.2810       37.22675 282.3296       36.83494 80.94069 4.719216 75.04752 5.043668 5.893166       6.907213 
1 1 1 -18 1  32 o 50.00016 4.381229 125.2375       21.22595 101.6824       29.11218 151.9708       31.01407 44.21951 6.955400 54.64114 5.891754 -10.42164      9.115391 
1 1 1 -18 1  33 o 10.53666 5.168773 -35.37276      18.21353 -17.01136      24.82373 -56.78363      26.80597 15.40217 7.099476 12.36191 6.103910 3.040259       9.362707 
1 1 1 -18 1  34 o 63.87658 3.944113 203.4746       24.53996 236.4787       35.03193 171.6752       34.38657 68.39771 5.273272 57.86647 6.165789 10.53124       8.113220 
1 1 1 -18 1  35 o 21.92639 7.574871 23.22681       19.75860 45.23085       28.01768 1.456169       27.86868 29.03218 8.962770 19.16430 8.239564 9.867874       12.17463 
1 1 1 -18 1  36 o 17.31930 7.188252 5.546714       20.01876 2.330356       28.33431 8.752419       28.28735 19.39278 8.322488 20.50805 8.531031 -1.115267      11.91815 
1 1 1 -18 1  37 o 65.01528 4.837264 213.7439       30.56316 237.9190       36.75844 159.6000       55.01077 68.27402 5.548191 52.70253 11.01889 15.57148       12.33687 
1 1 1 -18 1  38 o 32.07791 8.217810 56.92084       25.91582 53.39721       30.53811 65.99000       48.99266 30.88607 9.322838 33.94821 11.91537 -3.062145      15.12915 
1 1 1 -18 1  39 o 79.54652 4.581365 320.4201       35.52068 220.6000       64.40960 364.0468       42.58117 61.13478 11.17524 84.41876 5.178059 -23.28398      12.31658 
1 1 1 -18 1  40 o 18.80818 8.347741 -3.409840      30.65835 0.000000       0.000000 -3.409840      30.65835 ?        ?        18.80818 8.347741 ?              ?        
1 1 1 -18 1  41 o 38.35772 7.284262 80.87861       26.34934 49.65000       41.94384 101.2370       33.86597 29.62164 10.94185 42.26121 8.481937 -12.63958      13.84440 
1 1 1 -18 1  42 o 18.84926 7.952971 7.444495       25.12086 0.9550812      31.40168 18.98000       41.86667 19.45904 8.550282 24.28021 10.25691 -4.821171      13.35333 
1 1 1 -18 1  43 f 19.90572 8.148904 12.98063       25.26154 -0.4207402     31.43591 37.41000       42.44315 19.19902 8.490498 27.10672 10.74813 -7.907698      13.69711 
1 1 1 -18 1  44 o 19.67083 7.902391 14.33730       23.24539 -8.509180      32.86585 37.20629       32.88204 18.45083 8.376530 26.10713 9.679938 -7.656298      12.80107 
1 1 1 -18 1  45 o 33.75757 7.769872 65.33302       25.14126 118.2829       36.42143 17.13766       34.74780 45.11582 8.560574 22.41269 9.398766 22.70314       12.71299 
1 1 1 -18 1  46 o 24.97648 8.536707 35.52996       25.07498 -7.017659      35.59913 77.42534       35.32522 19.13491 8.699186 35.18338 9.862769 -16.04848      13.15105 
1 1 1 -18 1  47 o 24.19135 8.468156 33.03488       24.73464 8.065537       34.86819 58.32726       35.09302 20.82891 9.084348 30.37208 10.09862 -9.543179      13.58335 
1 1 1 -18 1  48 o 20.27926 8.160681 17.30086       24.83484 17.99775       35.86543 16.65891       34.42253 22.30742 9.461599 21.86475 9.271392 0.4426670      13.24691 
1 1 1 -18 1  49 o 18.61702 8.474043 -5.491511      33.90903 10.91000       50.48765 -18.97000      45.76820 23.44325 10.53636 19.81223 9.300743 3.631021       14.05413 
1 1 1 -18 1  50 o 29.43030 8.426082 52.56617       25.50903 32.97453       36.69685 70.88434       35.48414 24.80288 9.941047 32.92428 10.07243 -8.121407      14.15197 
1 1 1 -18 1  51 o 18.80626 7.895188 10.87041       24.56158 -0.9969175     34.94611 22.45565       34.52830 19.34295 8.723372 22.65017 9.423942 -3.307213      12.84165 
1 1 1 -18 1  52 o 18.63653 8.194126 4.152959       28.88254 -2.166116      35.09316 17.42000       50.84904 19.19172 8.690113 24.00139 10.69573 -4.809671      13.78103 
1 1 1 -18 1  53 o 29.73163 9.315231 56.49447       30.14198 41.65537       37.32131 84.33000       51.11554 26.17852 10.16807 33.44348 12.12256 -7.264956      15.82233 
1 1 1 -18 1  54 o 15.89794 7.634041 -32.41991      34.48570 0.000000       0.000000 -32.41991      34.48570 ?        ?        15.89794 7.634041 ?              ?        
1 1 1 -18 1  55 o 18.29692 7.933596 7.020618       26.27150 10.89999       37.10899 3.122576       37.19819 20.97653 9.252977 20.01025 9.014344 0.9662819      12.91805 
1 1 1 -18 1  56 o 17.32636 7.854711 -2.693410      28.77206 -4.475348      35.68170 0.6189000      48.64797 18.66585 8.570145 21.38924 9.887406 -2.723398      13.08465 
1 1 1 -18 1  57 o 37.44613 7.567465 84.33384       26.78190 26.17161       37.73633 143.3610       38.01588 22.81867 9.692917 48.14206 8.371168 -25.32339      12.80738 
1 1 1 -18 2  1  o 282.3907 7.874743 3938.354       217.4547 3994.000       310.8128 3885.000       304.3440 283.0623 11.24022 279.2039 11.15867 3.858368       15.83852 
1 1 1 -18 2  2  o 110.6265 4.451147 601.5188       48.10049 600.9000       69.11447 602.1000       66.98427 110.3149 6.428570 110.4564 6.220631 -0.1414566     8.945544 
1 1 1 -18 2  3  f 98.85464 4.443953 480.5082       42.89048 512.9000       63.80166 453.8000       57.93452 101.8867 6.430269 95.84491 6.208767 6.041801       8.938520 
1 1 1 -18 2  4  o 205.0380 6.083076 2069.721       121.9504 2023.000       171.0670 2118.000       173.8957 202.0951 8.667919 206.8106 8.609155 -4.715500      12.21681 
1 1 1 -18 2  5  o 181.8145 5.604940 1626.366       99.62922 1634.000       142.1714 1619.000       139.6562 181.7459 8.011430 180.9336 7.904675 0.8122559      11.25464 
1 1 1 -18 2  6  o 98.68702 4.559250 479.0385       43.92225 458.6000       63.40046 497.9000       60.90551 96.26008 6.772050 100.4022 6.228031 -4.142082      9.200491 
1 1 1 -18 2  7  o 100.7169 4.314480 498.6659       42.43552 0.000000       0.000000 498.6659       42.43552 ?        ?        100.7169 4.314480 ?              ?        
1 1 1 -18 2  8  o 68.90323 3.867044 233.5840       25.97639 186.1000       48.86474 252.2887       30.66881 60.79306 8.439002 71.56432 4.399450 -10.77126      9.516928 
1 1 1 -18 2  9  o 93.55752 3.631598 429.8529       33.19381 430.5000       61.70306 429.5893       39.37722 93.22968 6.808488 93.46302 4.315917 -0.2333374     8.061182 
1 1 1 -18 2  10 o 138.9743 3.980438 948.2521       54.09086 774.8000       88.98392 1049.906       68.12152 125.1184 7.297489 146.1414 4.768555 -21.02302      8.717365 
1 1 1 -18 2  11 o 12.93834 5.860430 -9.195600      15.97528 17.72879       22.37998 -37.16734      22.81111 21.53123 7.985403 12.55842 6.074739 8.972804       10.03340 
1 1 1 -18 2  12 o 173.4687 4.388701 1478.078       74.45852 1490.000       127.7429 1471.944       91.63452 173.5564 7.537487 172.9435 5.419825 0.6129456      9.283760 
1 1 1 -18 2  13 o 60.59094 3.921221 180.8720       23.13112 183.5000       35.90321 179.0071       30.24452 60.74628 6.121601 60.12637 5.189711 0.6199112      8.025404 
1 1 1 -18 2  14 o 118.0515 3.710070 684.3079       42.81739 773.3000       73.95277 639.4329       52.51479 125.1702 6.053922 113.9933 4.716667 11.17693       7.674432 
1 1 1 -18 2  15 o 20.99006 7.328827 19.37449       18.51956 20.55000       26.92815 18.31950       25.51053 23.38918 8.742769 22.49769 8.488298 0.8914909      12.18553 
1 1 1 -18 2  16 o 54.80565 4.328937 148.4254       23.03425 132.8490       29.00983 175.0000       37.89167 51.61325 5.844951 59.19035 6.655322 -7.577103      8.857582 
1 1 1 -18 2  17 o 25.25073 7.122716 32.34969       18.36382 28.91239       24.04587 37.16000       28.44583 24.90630 8.360861 27.82704 9.084613 -2.920736      12.34642 
1 1 1 -18 2  18 o 116.7730 3.739478 669.9720       42.68736 641.5939       52.75301 723.8000       72.65397 114.1356 4.732201 120.9843 6.155364 -6.848740      7.764163 
1 1 1 -18 2  19 o 96.20853 3.647283 454.9972       34.28484 418.6815       41.85100 529.1000       59.78271 92.15350 4.654751 103.4041 5.931403 -11.25064      7.539777 
1 1 1 -18 2  20 o 109.9802 3.339594 594.1060       35.90963 579.9824       49.25304 610.1329       52.46697 108.4809 4.649239 111.2396 4.830105 -2.758705      6.704128 
1 1 1 -18 2  21 o 11.09898 5.264470 -18.76283      15.37414 -15.85156      21.08154 -22.07003      22.46939 14.25797 6.561359 14.03156 6.564414 0.2264099      9.281323 
1 1 1 -18 2  22 o 119.4436 3.691814 701.6439       43.11090 665.7665       52.42269 776.6000       75.77254 116.1860 4.618762 125.1255 6.206077 -8.939537      7.736172 
1 1 1 -18 2  23 o 55.49912 4.364148 152.5943       23.51722 204.6000       46.64877 134.8732       27.23081 63.62822 7.642848 51.97328 5.432873 11.65494       9.377059 
1 1 1 -18 2  24 o 98.41709 3.089276 476.1276       29.72318 462.2266       41.50566 490.7610       42.58495 96.75080 4.394220 99.70219 4.374249 -2.951393      6.200260 
1 1 1 -18 2  25 o 83.66605 3.122807 344.4189       25.52923 348.1384       35.88887 340.6090       36.32261 83.90212 4.385214 82.96667 4.489396 0.9354477      6.275729 
1 1 1 -18 2  26 o 119.4290 3.227680 701.8995       37.69713 677.1948       52.22892 728.7649       54.46495 116.9854 4.569929 121.3577 4.593337 -4.372253      6.479429 
1 1 1 -18 2  27 o 96.02290 3.532383 454.7512       33.14423 415.7000       52.67349 480.3481       42.64505 91.15865 5.935483 98.47649 4.435536 -7.317833      7.409719 
1 1 1 -18 2  28 o 59.94139 4.233044 178.5125       24.67650 172.4242       28.85192 195.1000       47.62296 58.71420 5.069867 61.51902 8.105642 -2.804825      9.560596 
1 1 1 -18 2  29 o 92.83582 3.226872 425.0815       29.27809 382.4972       40.09415 473.7313       42.85449 87.67693 4.688910 97.66294 4.494967 -9.986015      6.495430 
1 1 1 -18 2  30 o 51.85879 4.057769 133.9439       20.43367 122.0146       28.05091 147.4307       29.82584 48.97902 5.974502 53.97622 5.732837 -4.997204      8.280102 
1 1 1 -18 2  31 o 18.89494 6.995555 14.61978       17.16208 2.686696       23.73597 27.69253       24.84357 18.18484 7.704400 24.21199 8.485945 -6.027155      11.46163 
1 1 1 -18 2  32 o 15.15382 6.508533 -0.2036139     17.35500 -4.660058      23.84682 4.814669       25.30544 16.88400 7.433787 19.07447 8.011200 -2.190474      10.92888 
1 1 1 -18 2  33 o 12.79195 5.960752 -15.80155      18.22980 -19.76880      25.25919 -11.48878      26.33619 15.21585 7.065182 16.71491 7.552293 -1.499060      10.34185 
1 1 1 -18 2  34 o 56.44952 4.237520 159.5636       23.24323 142.6019       32.08793 178.2880       33.71412 52.60185 6.361154 59.08115 5.909039 -6.479305      8.682225 
1 1 1 -18 2  35 o 28.98373 7.258941 44.97800       20.54678 51.71534       28.55272 37.74221       29.59011 30.81905 8.942649 27.17840 9.273866 3.640650       12.88315 
1 1 1 -18 2  36 o 54.28750 5.369385 150.2416       28.15859 167.9424       33.57886 108.3000       51.68832 57.10332 6.102029 42.92216 11.89286 14.18116       13.36693 
1 1 1 -18 2  37 o 69.99448 4.588492 246.8362       31.26357 288.7383       37.79922 156.1000       55.62306 75.45219 5.148907 51.90768 11.27121 23.54451       12.39159 
1 1 1 -18 2  38 o 16.23343 7.048477 -0.6511962     20.79459 -6.641747      28.83983 5.835825       30.01110 18.00775 8.037895 20.28610 8.631559 -2.278349      11.79456 
1 1 1 -18 2  39 o 44.35112 6.176250 103.4134       26.08602 118.1000       42.07807 94.24537       33.24556 45.30361 9.776114 41.07336 8.547771 4.230251       12.98602 
1 1 1 -18 2  40 o 32.52280 9.604526 61.75333       32.68555 0.000000       0.000000 61.75333       32.68555 ?        ?        32.52280 9.604526 ?              ?        
1 1 1 -18 2  41 o 20.41617 8.469037 11.78427       27.76715 15.02000       53.81200 10.61009       32.41604 25.82520 11.27404 21.29189 9.011394 4.533316       14.43292 
1 1 1 -18 2  42 o 63.23220 5.021165 206.3580       30.82270 183.0477       37.99870 251.2000       52.70314 58.31773 6.783189 67.09368 8.194939 -8.775955      10.63808 
1 1 1 -18 2  43 o 34.06675 8.085153 66.45596       26.55342 77.70197       33.26642 46.71000       44.08043 36.09381 9.343786 28.82286 11.08926 7.270950       14.50096 
1 1 1 -18 2  44 o 19.91964 8.243257 12.21709       26.21897 15.91923       33.47010 6.337000       42.18151 22.11479 9.245661 22.41042 9.876128 -0.2956238     13.52849 
1 1 1 -18 2  45 o 17.45352 7.602102 1.934807       24.34899 -11.51494      35.14738 14.34637       33.76363 18.58630 8.523286 21.77447 9.205315 -3.188169      12.54529 
1 1 1 -18 2  46 o 23.88747 8.446659 31.56457       24.65381 60.42939       36.04622 6.193857       33.79416 30.96767 10.23270 20.43036 8.926294 10.53731       13.57891 
1 1 1 -18 2  47 o 47.41111 5.902268 120.9323       26.79939 117.2067       38.91796 124.2921       36.95807 43.86115 9.350758 45.97116 8.527193 -2.110008      12.65503 
1 1 1 -18 2  48 o 41.51130 6.586461 95.62021       25.86973 73.50169       37.43023 115.8485       35.79517 33.40741 10.36725 44.04284 8.611866 -10.63543      13.47754 
1 1 1 -18 2  49 o 48.95526 5.716038 129.2037       26.87568 167.5356       40.17284 98.14867       36.15913 53.76876 7.865678 39.50958 9.472780 14.25918       12.31269 
1 1 1 -18 2  50 o 29.42781 8.268720 52.24206       24.79861 39.57179       36.17585 63.47403       34.06071 25.98063 10.03267 31.29374 9.915429 -5.313108      14.10568 
1 1 1 -18 2  51 o 50.01163 6.702089 139.5703       31.98345 145.5237       38.92614 127.2000       56.11126 49.52989 8.324074 40.86837 12.69514 8.661526       15.18080 
1 1 1 -18 2  52 o 26.44668 8.534949 42.58177       25.14867 70.63293       37.05257 18.62146       34.24437 32.40862 10.35021 21.92903 9.270634 10.47959       13.89502 
1 1 1 -18 2  53 o 50.58929 8.268324 152.2635       39.53024 0.000000       0.000000 152.2635       39.53024 ?        ?        50.58929 8.268324 ?              ?        
1 1 1 -18 2  54 o 34.06615 7.999557 69.88861       26.21626 48.54388       37.79786 89.67594       36.39281 27.35224 10.32951 36.88654 9.881355 -9.534300      14.29475 
1 1 1 -18 2  55 o 25.83607 9.233808 42.00140       29.53511 -10.66000      53.96446 64.52167       35.28973 21.42306 10.07025 30.73003 10.12346 -9.306971      14.27916 
1 1 1 -18 2  56 o 17.50907 7.972940 -3.635424      30.05538 -12.97351      36.28933 16.76000       53.63105 17.89196 8.361268 23.48583 10.67731 -5.593874      13.56155 
1 1 1 -18 2  57 o 29.50877 9.213372 58.22935       29.51287 37.08117       36.66452 97.15000       49.73928 24.51374 9.897585 34.46692 12.01226 -9.953176      15.56460 
1 1 1 -18 3  1  o 141.7116 4.789920 987.0424       66.34608 1114.000       101.1265 891.1000       87.91054 150.2286 6.895501 134.3592 6.705667 15.86942       9.618415 
1 1 1 -18 3  2  o 185.0354 5.641799 1684.497       102.0636 1939.000       157.6862 1501.000       133.8942 197.9831 8.154358 174.2166 7.872078 23.76657       11.33416 
1 1 1 -18 3  3  o 81.98460 4.528185 330.8812       36.19699 388.3000       56.33160 290.5000       47.24056 88.57573 6.543474 76.57166 6.360271 12.00407       9.125245 
1 1 1 -18 3  4  o 135.4177 4.769502 901.4138       63.12131 915.7000       91.79562 888.6000       86.93646 136.1642 6.909948 134.1759 6.640067 1.988342       9.583208 
1 1 1 -18 3  5  o 127.4547 4.709135 798.5739       58.64832 774.0000       83.95108 822.0000       81.96701 125.1595 6.879067 129.0558 6.509686 -3.896324      9.470881 
1 1 1 -18 3  6  o 101.3599 3.612093 504.3752       35.77967 461.2000       64.91608 523.2143       42.88101 96.50739 6.917927 103.1769 4.255094 -6.669556      8.121794 
1 1 1 -18 3  7  o 118.8585 3.706287 693.4386       43.06700 719.8000       80.26180 682.7798       51.03641 120.6845 6.822184 117.8663 4.431577 2.818146       8.135175 
1 1 1 -18 3  8  o 109.8426 3.689061 592.3293       39.60740 564.6000       72.26197 604.2372       47.35421 106.8114 6.949452 110.8737 4.371958 -4.062347      8.210292 
1 1 1 -18 3  9  o 18.20097 7.299355 7.728328       19.79721 -58.24000      42.20033 26.34323       22.41705 17.81114 8.524034 23.91501 8.072927 -6.103874      11.74016 
1 1 1 -18 3  10 o 169.2808 4.397452 1407.489       72.80264 1314.000       125.0771 1455.393       89.53225 162.9126 7.866879 171.9972 5.324455 -9.084656      9.499348 
1 1 1 -18 3  11 o 149.5266 4.970334 1099.591       72.64509 0.000000       0.000000 1099.591       72.64509 ?        ?        149.5266 4.970334 ?              ?        
1 1 1 -18 3  12 o 206.9142 4.969284 2103.555       100.6445 2082.000       171.7252 2114.832       124.2136 204.8878 8.581720 207.1680 6.132229 -2.280228      10.54752 
1 1 1 -18 3  13 f 154.4990 4.103732 1172.276       62.00493 1136.000       103.2910 1192.713       77.52751 151.5913 6.979900 155.6962 5.093972 -4.104904      8.641040 
1 1 1 -18 3  14 o 122.1677 3.710377 732.8420       44.31767 711.0000       72.31351 745.9803       56.08442 119.9824 6.178182 123.1433 4.661332 -3.160896      7.739377 
1 1 1 -18 3  15 o 22.67878 7.011504 25.31527       17.13898 42.31190       22.97247 3.978130       25.73916 28.79268 7.909434 19.48420 8.124008 9.308483       11.33837 
1 1 1 -18 3  16 o 100.7195 3.200738 497.9391       31.51508 465.3370       43.47979 534.0259       45.74451 97.21056 4.582389 104.1642 4.497163 -6.953674      6.420496 
1 1 1 -18 3  17 o 87.07396 3.650943 372.6841       31.04808 354.2713       39.07915 404.2000       51.12694 84.76501 4.728759 90.39736 5.808882 -5.632355      7.490279 
1 1 1 -18 3  18 o 7.914912 4.000640 -51.04142      15.01767 -43.74908      18.02869 -67.57000      27.14239 9.839746 4.884541 11.94836 5.941693 -2.108614      7.691714 
1 1 1 -18 3  19 o 155.8327 4.973609 1196.342       75.76698 1132.000       103.0660 1272.000       111.7630 151.0946 6.987759 160.1364 7.148214 -9.041824      9.996286 
1 1 1 -18 3  20 o 48.95378 4.440180 118.8052       21.04497 102.3841       25.76787 151.7000       36.47038 45.15963 5.975904 54.93262 6.937124 -9.772995      9.156152 
1 1 1 -18 3  21 o 66.09572 5.174197 216.6235       33.20852 140.2000       54.11083 262.8000       42.06115 51.77137 11.01662 72.69643 5.963387 -20.92506      12.52709 
1 1 1 -18 3  22 o 47.30728 4.012791 110.8297       18.40635 114.6000       25.64940 106.8266       26.42912 47.85542 5.580297 46.10063 5.999078 1.754787       8.193208 
1 1 1 -18 3  23 o 62.15547 3.353683 190.3251       20.32807 167.1836       27.53757 218.0362       30.13404 58.01567 4.894868 66.34640 4.670002 -8.330727      6.765253 
1 1 1 -18 3  24 f 143.4958 3.972036 1014.338       55.73661 1125.000       98.52885 962.2611       67.59073 150.2347 6.717176 139.5073 4.957640 10.72737       8.348572 
1 1 1 -18 3  25 o 125.5368 3.279985 775.2592       40.26958 786.7321       57.08637 763.8955       56.81417 126.1437 4.631253 124.2841 4.678547 1.859642       6.583107 
1 1 1 -18 3  26 o 105.5179 3.735285 549.1534       38.51859 577.8000       70.51043 536.9682       45.98679 107.3171 6.746544 104.1520 4.521631 3.165054       8.121637 
1 1 1 -18 3  27 o 94.93039 3.747026 444.9645       34.74916 467.9000       64.18151 435.4532       41.33103 96.37678 6.848091 93.72141 4.518692 2.655365       8.204567 
1 1 1 -18 3  28 o 76.79055 3.617853 291.4372       27.11703 294.0000       42.30784 289.6503       35.32766 76.58638 5.684213 76.28513 4.754814 0.3012543      7.410704 
1 1 1 -18 3  29 o 35.99318 6.134954 66.61240       20.83976 68.99123       23.76341 58.69000       43.36660 36.43440 6.916221 33.73788 11.22634 2.696522       13.18578 
1 1 1 -18 3  30 o 21.36981 7.057967 22.31089       17.14964 35.40516       23.23558 6.641918       25.41753 26.24178 8.172215 19.54147 8.104196 6.700315       11.50926 
1 1 1 -18 3  31 o 64.41846 6.179670 211.0030       38.48832 200.4000       53.70398 222.2000       55.18777 61.40294 9.219852 64.86119 8.929341 -3.458252      12.83506 
1 1 1 -18 3  32 o 35.90770 5.650610 66.26097       19.20493 67.61863       26.17620 64.67816       28.26350 35.64544 7.725728 34.66191 8.415843 0.9835320      11.42424 
1 1 1 -18 3  33 o 46.16319 4.734609 107.5099       21.09088 124.2019       29.64448 90.40037       30.01295 49.11771 6.311651 41.28030 7.711282 7.837406       9.964979 
1 1 1 -18 3  34 o 60.29716 4.122141 181.7551       24.18276 185.3680       33.63860 177.8907       34.78962 60.30136 5.769347 58.91577 6.121853 1.385590       8.412042 
1 1 1 -18 3  35 o 39.52665 6.973805 82.36321       25.99557 73.08360       30.27568 108.4000       50.71339 36.58791 8.599922 43.25563 11.69833 -6.667725      14.51928 
1 1 1 -18 3  36 o 74.48204 4.494372 278.7126       32.61380 296.3987       39.16392 238.7000       58.90718 76.45432 5.265483 66.14896 9.358938 10.30537       10.73848 
1 1 1 -18 3  37 o 16.66898 7.098047 2.161242       20.32226 17.52680       28.07655 -14.74767      29.45285 22.09922 8.748421 17.20094 7.855638 4.898273       11.75780 
1 1 1 -18 3  38 o 22.10385 8.162314 22.37140       23.33747 34.05000       35.83403 13.76947       30.75375 26.68487 10.06198 21.85102 8.973355 4.833853       13.48201 
1 1 1 -18 3  39 o 50.83549 5.502307 133.6716       26.94312 188.9000       42.76846 97.33035       34.69304 59.23416 7.547603 41.58442 8.798228 17.64974       11.59203 
1 1 1 -18 3  40 o 64.58072 4.338606 211.5776       27.26667 185.5567       38.55519 237.6139       38.56660 58.97488 6.803539 67.47610 5.898468 -8.501221      9.004447 
1 1 1 -18 3  41 o 22.37440 8.822115 20.97049       28.44817 -8.449000      54.10954 32.20893       33.44332 23.42615 10.67911 25.44903 9.691834 -2.022875      14.42134 
1 1 1 -18 3  42 o 31.04672 9.197094 56.75497       29.93332 -8.996000      56.06597 82.96899       35.40096 23.54078 10.78396 37.23853 9.638277 -13.69774      14.46341 
1 1 1 -18 3  43 o 15.63803 7.069785 -7.473087      23.11755 -28.48700      32.29019 14.62352       33.11158 16.14286 7.648846 21.88889 9.176678 -5.746031      11.94639 
1 1 1 -18 3  44 f 13.44103 6.488973 -33.94115      25.71520 -19.09515      33.23418 -56.09000      40.59343 17.32352 8.064266 16.25335 7.917553 1.070164       11.30133 
1 1 1 -18 3  45 o 37.87148 7.951772 82.33695       28.53683 111.8171       37.30823 40.77000       44.30106 43.38688 9.077061 27.43290 10.94700 15.95398       14.22075 
1 1 1 -18 3  46 o 35.00056 7.704448 70.39326       25.67857 52.98519       37.09332 86.41320       35.58368 29.26241 10.35948 37.36651 9.658906 -8.104099      14.16380 
1 1 1 -18 3  47 o 26.62556 8.557612 41.97834       25.29970 50.90160       37.35394 34.41577       34.38815 28.62254 10.36470 25.16558 9.764296 3.456957       14.23968 
1 1 1 -18 3  48 o 23.66757 8.427223 31.67585       24.57799 61.59916       36.71724 7.382735       33.08316 30.72423 10.33171 20.20358 8.829453 10.52065       13.59056 
1 1 1 -18 3  49 o 31.41642 8.064066 59.00981       24.92172 78.48753       37.33477 43.35560       33.47033 34.43301 10.28895 26.63863 9.785651 7.794380       14.19935 
1 1 1 -18 3  50 o 37.01623 8.664207 83.36903       30.83427 58.50933       37.26936 137.3000       54.89380 29.83682 10.39807 43.35544 12.34369 -13.51862      16.13960 
1 1 1 -18 3  51 o 47.96728 5.889079 125.0780       27.07068 135.2257       39.28065 115.8988       37.35903 47.18918 8.828583 43.33367 9.097950 3.855511       12.67740 
1 1 1 -18 3  52 o 46.77099 8.394448 130.8340       37.01827 0.000000       0.000000 130.8340       37.01827 ?        ?        46.77099 8.394448 ?              ?        
1 1 1 -18 3  53 o 33.79203 8.075181 68.77521       26.34473 61.32279       38.58381 75.28400       36.05843 30.04213 10.57174 33.54261 10.13174 -3.500484      14.64288 
1 1 1 -18 3  54 o 20.83138 8.304872 20.61606       25.47320 19.49210       36.86660 21.64288       35.23767 22.28860 9.527620 22.40005 9.433424 -0.1114445     13.40765 
1 1 1 -18 3  55 f 18.66670 7.941036 10.34616       25.39318 27.91850       37.54929 -4.462818      34.47066 23.47800 9.802559 18.54482 8.480430 4.933174       12.96178 
1 1 1 -18 3  56 o 15.09578 7.340464 -40.26072      34.46398 0.000000       0.000000 -40.26072      34.46398 ?        ?        15.09578 7.340464 ?              ?        
1 1 1 -18 3  57 o 16.94427 7.529669 1.944421       25.02042 -30.57954      36.11644 31.95833       34.69480 16.16637 7.775708 23.48361 9.574132 -7.317240      12.33392 
1 1 1 -18 4  1  o 268.5567 7.544796 3560.403       198.1340 3850.000       295.8918 3325.000       266.7728 277.9901 10.89530 258.4488 10.56764 19.54132       15.17836 
1 1 1 -18 4  2  o 113.7586 4.482216 636.0970       49.81184 629.7000       73.61341 641.5000       67.65263 112.8849 6.692190 114.0355 6.082924 -1.150658      9.043637 
1 1 1 -18 4  3  o 164.0139 5.245379 1322.939       84.10174 1416.000       125.4630 1247.000       113.3352 169.2503 7.592539 158.8678 7.307814 10.38249       10.53806 
1 1 1 -18 4  4  o 113.4666 4.572570 632.9691       50.68087 573.7000       71.99231 691.2000       71.35903 107.6992 6.864899 118.3647 6.180559 -10.66553      9.237215 
1 1 1 -18 4  5  o 110.8977 3.627350 603.6573       39.32182 575.6000       72.15314 615.5109       46.89818 107.8747 6.868967 111.9179 4.288987 -4.043236      8.098031 
1 1 1 -18 4  6  o 114.9584 3.694818 648.7109       41.52173 612.4000       75.57192 664.4122       49.69463 111.2605 6.974341 116.2739 4.374174 -5.013359      8.232547 
1 1 1 -18 4  7  o 80.14285 3.767384 315.6844       29.47091 280.2000       56.69077 328.8252       34.49895 74.93251 7.845379 81.74329 4.327105 -6.810776      8.959565 
1 1 1 -18 4  8  o 52.49699 4.531231 136.2841       23.05628 155.6000       48.58605 130.6701       26.19344 55.30895 9.304461 51.29688 5.292589 4.012070       10.70442 
1 1 1 -18 4  9  o 44.53361 5.280165 98.81692       22.56926 97.28000       49.42353 99.22185       25.36879 43.38396 11.46695 44.51646 5.972564 -1.132507      12.92913 
1 1 1 -18 4  10 o 21.25558 8.153558 15.05354       23.78178 0.000000       0.000000 15.05354       23.78178 ?        ?        21.25558 8.153558 ?              ?        
1 1 1 -18 4  11 o 117.1198 4.568007 674.5331       52.26726 0.000000       0.000000 674.5331       52.26726 ?        ?        117.1198 4.568007 ?              ?        
1 1 1 -18 4  12 o 205.9075 6.109258 2089.345       122.9947 0.000000       0.000000 2089.345       122.9947 ?        ?        205.9075 6.109258 ?              ?        
1 1 1 -18 4  13 o 170.1143 4.347634 1421.716       72.33427 1373.000       120.7346 1448.993       90.34321 166.5645 7.423962 171.5659 5.386377 -5.001343      9.172147 
1 1 1 -18 4  14 o 13.92487 6.109207 -4.031894      15.97539 9.393650       21.03420 -22.33275      24.55816 19.02092 7.558571 14.91179 6.938416 4.109121       10.26029 
1 1 1 -18 4  15 o 98.72366 3.227401 478.4266       31.14557 448.0141       43.47714 510.4859       44.63880 95.37182 4.671518 101.8427 4.488948 -6.470909      6.478714 
1 1 1 -18 4  16 o 183.1602 4.010789 1646.912       71.90636 1565.318       99.03002 1737.905       104.5786 178.2016 5.684668 187.7753 5.696402 -9.573700      8.047635 
1 1 1 -18 4  17 o 118.5525 3.320481 689.9147       38.49372 683.7032       53.93274 696.3648       54.95844 117.8429 4.684995 118.9239 4.730712 -1.080978      6.657989 
1 1 1 -18 4  18 o 86.70287 3.601154 369.5804       30.49545 355.3948       37.49513 397.3000       52.41386 84.90695 4.527920 89.55036 6.014484 -4.643410      7.528352 
1 1 1 -18 4  19 o 54.97177 4.138522 149.3142       22.10499 126.3484       27.11718 194.8000       38.16284 50.32326 5.599895 62.48930 6.326252 -12.16605      8.448686 
1 1 1 -18 4  20 o 47.48991 6.372392 113.4292       28.87480 101.9000       51.55085 118.7000       34.85570 44.09408 11.73736 48.33658 7.619030 -4.242500      13.99340 
1 1 1 -18 4  21 f 88.03391 3.524707 381.1942       30.31101 388.0074       37.73331 368.8000       50.89323 88.70225 4.359296 86.16402 6.073219 2.538231       7.475791 
1 1 1 -18 4  22 o 74.99479 3.245888 276.6560       23.77066 278.6114       32.11261 274.2859       35.35429 75.10371 4.387361 74.43549 4.879293 0.6682129      6.561740 
1 1 1 -18 4  23 o 75.23972 3.136277 278.4645       23.04700 279.9113       31.69469 276.8411       33.57314 75.26556 4.320285 74.80135 4.607754 0.4642181      6.316349 
1 1 1 -18 4  24 o 118.0428 3.199291 685.0947       36.93165 681.4916       51.43903 688.9280       53.05701 117.4731 4.481728 118.0852 4.599093 -0.6121292     6.421646 
1 1 1 -18 4  25 o 51.21061 3.682994 129.7497       18.33821 117.5576       24.52625 145.2074       27.61614 48.45097 5.255647 53.89568 5.303460 -5.444710      7.466493 
1 1 1 -18 4  26 o 120.6346 3.227391 716.3137       38.07496 686.0239       52.41246 750.1602       55.40427 117.7205 4.557192 123.0930 4.606495 -5.372498      6.479799 
1 1 1 -18 4  27 o 73.59286 3.245167 267.0703       23.31899 251.2995       31.80028 285.4149       34.29716 71.11177 4.593170 75.79056 4.645456 -4.678787      6.532799 
1 1 1 -18 4  28 o 74.92931 3.257632 277.0336       23.83533 266.5875       32.68771 288.8942       34.83073 73.20713 4.584700 76.19067 4.693182 -2.983536      6.560902 
1 1 1 -18 4  29 o 63.39793 3.859579 199.3618       23.83739 176.2000       35.19122 218.9992       32.40340 58.96005 6.189952 66.15670 5.041899 -7.196651      7.983499 
1 1 1 -18 4  30 o 73.55035 4.003517 268.6819       28.71390 258.0579       33.25621 299.8000       56.91613 71.86157 4.754651 76.24760 7.732933 -4.386024      9.077718 
1 1 1 -18 4  31 o 50.30713 4.218588 126.4827       20.58203 99.38682       26.99881 164.0777       31.80229 43.90462 6.476704 56.86446 5.794493 -12.95984      8.690446 
1 1 1 -18 4  32 o 45.14866 4.606300 102.5948       20.07163 87.33952       26.62482 122.6787       30.54929 40.91482 6.892869 48.77241 6.565749 -7.857590      9.519490 
1 1 1 -18 4  33 o 16.65722 6.909384 4.714363       18.48033 16.71518       25.02877 -9.670716      27.40251 21.41539 8.324368 17.33891 7.780033 4.076481       11.39403 
1 1 1 -18 4  34 o 74.68609 4.301434 278.9740       31.31253 277.0900       36.81684 283.9000       59.53143 74.11004 5.106534 73.17433 8.467615 0.9357071      9.888236 
1 1 1 -18 4  35 o 29.10963 8.157916 45.78845       24.17177 44.92798       27.81871 48.44000       48.83366 28.91026 8.931885 31.38788 11.76512 -2.477621      14.77148 
1 1 1 -18 4  36 o 55.68018 4.370480 155.9647       23.62890 148.0153       32.98232 164.3467       33.86790 53.40046 6.439880 56.39751 6.239323 -2.997051      8.966672 
1 1 1 -18 4  37 o 17.48838 7.410297 3.432304       21.96318 21.48000       34.69542 -8.635875      28.37149 24.23948 9.682734 17.64377 7.916643 6.595716       12.50714 
1 1 1 -18 4  38 f 62.97375 4.628929 200.8754       28.33355 205.9000       45.58778 197.7129       36.16735 62.00478 7.675049 61.74077 6.062746 0.2640038      9.780760 
1 1 1 -18 4  39 o 29.58081 7.707399 48.47705       22.53727 45.35424       31.79110 51.63205       31.95455 28.58648 9.613687 30.14482 9.610155 -1.558346      13.59331 
1 1 1 -18 4  40 o 16.15828 7.126077 -2.568922      21.99880 22.74275       31.38176 -27.02552      30.84714 23.32575 9.244245 15.98926 7.546012 7.336490       11.93308 
1 1 1 -18 4  41 o 17.41244 7.520505 2.118365       23.42192 -25.04991      33.15465 29.18511       33.09264 16.84711 7.911079 24.75969 9.586331 -7.912575      12.42912 
1 1 1 -18 4  42 o 46.43245 7.230989 118.3177       31.79461 169.9000       63.73678 101.2294       36.68499 50.30486 12.88764 41.47609 9.269678 8.828770       15.87508 
1 1 1 -18 4  43 o 33.89388 8.953063 67.92080       30.14067 142.6000       62.81977 45.58832       34.35303 45.02468 13.31996 28.05924 9.965963 16.96544       16.63556 
1 1 1 -18 4  44 o 13.71771 6.493340 -21.98067      23.16150 -25.23715      33.47473 -18.98984      32.08036 16.75314 7.892514 16.99200 7.914345 -0.2388668     11.17715 
1 1 1 -18 4  45 o 26.22987 8.946933 39.69285       27.54015 51.40939       35.27396 21.40000       44.07529 29.09282 10.11729 24.49331 10.44228 4.599504       14.53963 
1 1 1 -18 4  46 o 50.80912 6.268494 139.6993       30.51503 123.8878       38.37244 166.9000       50.32959 45.71479 8.895672 51.76442 10.29560 -6.049629      13.60634 
1 1 1 -18 4  47 o 37.38154 7.263159 79.31169       25.61810 84.00852       37.43786 75.17585       35.13100 36.16039 10.15940 34.37840 9.902686 1.781994       14.18720 
1 1 1 -18 4  48 o 30.24012 8.136873 54.62389       24.61050 69.95509       36.91025 42.35234       33.02240 32.62373 10.32000 26.52651 9.724003 6.097216       14.17951 
1 1 1 -18 4  49 o 25.84134 9.268513 40.06498       29.78546 13.34378       36.21183 95.96000       52.37319 21.56846 9.333329 35.83892 12.33459 -14.27046      15.46781 
1 1 1 -18 4  50 o 26.57972 8.495965 42.75311       24.96164 45.77457       36.72839 40.15958       34.02823 27.13330 10.19632 25.92732 9.798772 1.205980       14.14146 
1 1 1 -18 4  51 o 28.59640 9.993833 52.90378       34.44168 39.78000       51.84605 63.27000       46.07829 26.75468 11.36300 30.19862 11.40485 -3.443937      16.09933 
1 1 1 -18 4  52 o 25.54816 9.024508 39.56050       28.13655 52.45000       50.99820 33.92020       33.73559 28.36181 11.59070 24.54336 9.628326 3.818451       15.06814 
1 1 1 -18 4  53 o 18.49235 7.850914 9.520418       24.73364 40.74065       36.76720 -16.28655      33.42805 25.90032 10.08323 17.14069 8.014984 8.759628       12.88066 
1 1 1 -18 4  54 o 16.74925 7.475545 -0.9565648     24.94026 -43.55660      36.45076 36.54189       34.19859 15.55117 7.558969 24.92652 9.718790 -9.375354      12.31231 
1 1 1 -18 4  55 o 14.46460 6.792139 -16.19419      24.43664 -11.69611      36.15049 -19.97887      33.16009 18.11018 8.423769 16.57019 7.821278 1.539988       11.49488 
1 1 1 -18 4  56 o 28.63335 8.693611 52.80180       26.50071 12.37555       38.44872 89.38722       36.57666 21.11286 9.360695 36.06077 10.00926 -14.94791      13.70430 
1 1 1 -18 4  57 o 17.11114 8.035901 -14.51945      34.22460 0.000000       0.000000 -14.51945      34.22460 ?        ?        17.11114 8.035901 ?              ?        
1 1 1 -18 5  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 5  2  o 88.32547 4.396570 383.7951       37.89124 414.4000       59.07215 362.4000       49.39071 91.49647 6.641078 85.63631 5.928851 5.860161       8.902539 
1 1 1 -18 5  3  o 240.3147 6.889634 2847.790       161.8953 3260.000       250.9680 2554.000       211.8737 256.0753 10.03195 226.7750 9.566486 29.30029       13.86210 
1 1 1 -18 5  4  o 209.0397 5.009613 2146.308       102.5036 2147.000       180.5451 2145.978       124.5178 208.0928 8.884295 208.7557 6.100325 -0.6628876     10.77704 
1 1 1 -18 5  5  o 151.0209 4.080589 1119.720       60.26537 1136.000       109.2700 1112.603       72.24703 151.5802 7.386895 150.4341 4.913041 1.146133       8.871538 
1 1 1 -18 5  6  o 76.64548 3.809632 288.8244       28.49131 328.5000       58.41821 276.4416       32.63594 81.27039 7.425564 74.91444 4.471001 6.355957       8.667690 
1 1 1 -18 5  7  o 11.07601 5.406750 -35.89429      19.21079 -159.0000      46.52024 -10.58469      21.09335 13.86841 7.013523 15.10166 6.796882 -1.233247      9.766632 
1 1 1 -18 5  8  o 101.7906 4.330126 509.4379       43.04484 0.000000       0.000000 509.4379       43.04484 ?        ?        101.7906 4.330126 ?              ?        
1 1 1 -18 5  9  o 124.1199 4.544332 757.3589       55.11678 0.000000       0.000000 757.3589       55.11678 ?        ?        124.1199 4.544332 ?              ?        
1 1 1 -18 5  10 o 96.44186 4.388652 457.5034       41.32028 0.000000       0.000000 457.5034       41.32028 ?        ?        96.44186 4.388652 ?              ?        
1 1 1 -18 5  11 o 25.78287 8.450541 31.60721       24.60244 0.000000       0.000000 31.60721       24.60244 ?        ?        25.78287 8.450541 ?              ?        
1 1 1 -18 5  12 o 111.6468 4.534882 613.1300       49.45539 0.000000       0.000000 613.1300       49.45539 ?        ?        111.6468 4.534882 ?              ?        
1 1 1 -18 5  13 o 43.79677 5.498861 95.82426       23.05504 169.4000       52.36412 78.13204       25.67779 57.63633 9.620677 39.22444 6.941952 18.41188       11.86373 
1 1 1 -18 5  14 o 130.5736 3.366369 836.6862       42.98937 776.9183       59.18128 903.4539       62.55085 125.6388 4.821264 135.5130 4.722919 -9.874146      6.749115 
1 1 1 -18 5  15 o 88.41755 3.176539 383.8264       27.44686 357.6889       37.86812 412.7542       39.83821 85.20292 4.557177 91.55621 4.458756 -6.353294      6.375607 
1 1 1 -18 5  16 o 112.5192 3.265888 621.4350       35.93142 599.0204       50.13704 645.1038       51.52062 110.3027 4.654182 114.4808 4.607127 -4.178116      6.548819 
1 1 1 -18 5  17 o 47.05794 4.118149 109.5851       18.77789 96.60603       24.55725 127.8583       29.13846 43.89160 5.862466 50.57590 6.002899 -6.684303      8.390668 
1 1 1 -18 5  18 o 121.8502 4.395819 730.7419       52.34315 759.9000       73.41783 700.6000       74.64624 123.9501 6.069753 118.9249 6.436511 5.025223       8.847066 
1 1 1 -18 5  19 o 89.96522 4.817736 399.4502       42.27047 313.6000       65.07893 462.1000       55.59423 78.91794 8.561790 96.58884 5.908531 -17.67091      10.40264 
1 1 1 -18 5  20 o 222.4990 5.296207 2440.599       115.3451 2358.817       138.8157 2623.000       207.3106 218.2433 6.505438 228.7778 9.276903 -10.53450      11.33056 
1 1 1 -18 5  21 o 57.19727 3.910217 161.5528       21.76017 144.3934       26.23329 199.4000       38.96001 53.89333 5.031052 63.15169 6.390576 -9.258362      8.133323 
1 1 1 -18 5  22 o 44.63523 4.480873 99.09747       19.31250 110.9916       23.33104 73.21000       34.42007 47.15186 5.138113 37.43532 9.406283 9.716545       10.71813 
1 1 1 -18 5  23 o 49.57734 3.736372 121.5613       17.99830 118.8894       23.69155 125.2079       27.67769 48.81835 5.029883 49.96867 5.764351 -1.150322      7.650325 
1 1 1 -18 5  24 o 84.59815 3.074715 352.0342       25.41844 325.6205       34.35026 384.0021       37.78960 81.15246 4.340149 88.13566 4.394266 -6.983200      6.176283 
1 1 1 -18 5  25 o 62.68242 3.280448 193.7326       20.05723 181.8024       26.75946 209.0283       30.29970 60.50491 4.551730 64.84904 4.807600 -4.344135      6.620519 
1 1 1 -18 5  26 o 29.25143 5.593731 43.89517       15.43254 36.07152       19.74331 56.18328       24.74331 26.40064 7.363435 32.75179 7.825447 -6.351149      10.74513 
1 1 1 -18 5  27 o 97.98810 3.753078 474.2795       35.93052 429.7000       62.85434 495.9184       43.79103 92.20139 7.017233 100.0068 4.484930 -7.805435      8.328034 
1 1 1 -18 5  28 f 61.46304 3.537669 186.9069       21.19331 197.4558       28.86561 174.5702       31.21591 62.91953 4.721371 58.94530 5.472795 3.974228       7.227921 
1 1 1 -18 5  29 o 79.10958 3.281053 309.0682       25.35157 287.3116       34.25225 335.4257       37.70034 75.92860 4.630711 82.03481 4.714917 -6.106216      6.608625 
1 1 1 -18 5  30 o 31.82980 6.063873 52.54714       18.20288 63.89439       23.96041 37.05897       27.99298 34.84095 7.261620 27.12961 9.019336 7.711336       11.57927 
1 1 1 -18 5  31 o 19.95425 7.537618 15.58552       20.12985 24.74457       22.75658 -17.36000      43.15984 23.02848 8.117618 21.28485 9.637646 1.743633       12.60079 
1 1 1 -18 5  32 o 55.40984 4.088229 153.2843       22.01705 182.0367       29.80453 118.7474       32.66537 60.08981 5.115883 47.70378 7.221302 12.38602       8.849828 
1 1 1 -18 5  33 o 17.87712 7.360110 6.577001       20.75826 -0.7038919     23.37445 33.75000       45.15625 17.34140 7.501391 28.60280 11.16330 -11.26140      13.44954 
1 1 1 -18 5  34 f 30.42290 7.650682 49.77874       22.75702 50.39088       25.70536 47.56000       48.93812 30.49732 8.362291 31.33789 11.77112 -0.8405704     14.43909 
1 1 1 -18 5  35 o 27.23477 7.296002 39.73949       19.84014 36.66719       26.41783 43.71408       30.04773 26.54706 8.759591 28.66958 9.335376 -2.122528      12.80155 
1 1 1 -18 5  36 o 22.84286 7.961544 25.51375       21.84981 16.72000       33.25360 32.19476       28.98496 23.14773 9.396938 25.60487 9.147830 -2.457148      13.11431 
1 1 1 -18 5  37 f 25.96840 8.088321 36.10641       22.76002 50.56000       35.89755 26.39051       29.43192 30.38485 10.21572 24.22114 9.122009 6.163706       13.69569 
1 1 1 -18 5  38 o 37.33564 6.407043 73.89657       22.57179 60.83742       32.25384 86.43076       31.59892 32.67439 9.511445 39.45154 8.438143 -6.777145      12.71495 
1 1 1 -18 5  39 o 51.00695 5.010177 133.5422       24.69188 139.9767       35.17156 127.2888       34.67297 51.00289 7.249060 48.41272 7.564188 2.590172       10.47692 
1 1 1 -18 5  40 o 41.82651 6.038754 92.66048       24.00821 104.6150       34.46154 81.38681       33.46584 43.02036 8.485383 37.38986 9.206362 5.630497       12.52034 
1 1 1 -18 5  41 o 20.97100 8.079643 19.16395       23.42364 41.57824       33.06877 -3.406274      33.18359 27.36454 9.771652 19.35530 8.631841 8.009249       13.03817 
1 1 1 -18 5  42 o 18.44869 7.781602 7.117387       24.03816 26.75909       33.85220 -12.85948      34.13981 24.23131 9.601825 18.35257 8.410186 5.878735       12.76426 
1 1 1 -18 5  43 f 58.05194 5.955909 178.5670       33.36377 141.1000       65.02454 191.9555       38.87048 44.33370 13.64843 59.54920 6.789815 -15.21550      15.24405 
1 1 1 -18 5  44 o 12.48855 6.175282 -55.17789      27.78663 -130.1000      57.72219 -32.57919      31.70148 16.54761 8.294612 15.52488 7.418504 1.022730       11.12811 
1 1 1 -18 5  45 o 27.09746 8.514051 42.89410       25.16227 6.964170       35.53738 79.01655       35.63246 20.98771 9.162037 35.65726 9.872370 -14.66955      13.46873 
1 1 1 -18 5  46 o 23.38208 8.892183 28.21776       28.12768 43.85179       35.64096 2.401000       45.79995 27.29608 10.08567 22.28467 10.02382 5.011404       14.21963 
1 1 1 -18 5  47 o 33.71207 8.723598 68.85268       29.00499 71.39040       37.11267 64.87000       46.49304 33.11571 10.33056 31.07309 11.51233 2.042622       15.46785 
1 1 1 -18 5  48 o 19.67752 8.459294 9.184836       29.36883 -8.207465      35.93153 44.19000       50.97570 18.82735 8.627868 27.62403 11.46835 -8.796677      14.35142 
1 1 1 -18 5  49 o 28.00692 8.390593 47.51339       24.80430 48.93691       36.40437 46.27988       33.88784 27.83210 10.20863 27.27468 9.872747 0.5574207      14.20166 
1 1 1 -18 5  50 o 22.49907 9.292805 22.62768       33.23338 15.69000       50.79536 27.82000       43.94383 23.87692 10.66185 24.57156 10.44949 -0.6946430     14.92873 
1 1 1 -18 5  51 o 18.39203 8.025213 5.123740       27.23852 -12.83000      48.29151 13.50074       32.98659 20.67774 9.657284 20.91261 8.977338 -0.2348785     13.18544 
1 1 1 -18 5  52 o 33.21249 7.929613 65.91641       25.42132 23.88417       37.13928 102.9696       34.87024 23.12260 9.707947 40.78748 8.977924 -17.66488      13.22299 
1 1 1 -18 5  53 o 17.79716 7.692679 6.014671       24.54453 36.20193       36.67418 -18.47600      33.03307 25.02439 9.968704 16.79967 7.891249 8.224716       12.71404 
1 1 1 -18 5  54 o 30.13824 8.348713 56.00738       25.47509 46.63665       37.73389 63.85572       34.53298 26.96187 10.28831 30.87322 10.00455 -3.911354      14.35063 
1 1 1 -18 5  55 f 21.74808 8.392555 25.55764       25.30233 19.41449       37.21617 30.83785       34.50342 22.09626 9.511145 23.64031 9.581044 -1.544043      13.50031 
1 1 1 -18 5  56 o 21.86635 8.452458 26.73906       25.69645 33.52692       37.79641 20.90501       35.04042 24.05039 9.919602 21.79713 9.302292 2.253262       13.59894 
1 1 1 -18 5  57 o 28.96732 8.568025 54.63587       25.99469 34.87792       37.72300 72.50137       35.87096 23.99250 9.904252 31.68354 10.19044 -7.691034      14.21053 
1 1 1 -18 6  1  o 198.3986 5.921601 1937.933       114.8676 2106.000       172.8480 1805.000       153.7233 206.1664 8.584031 190.9313 8.244823 15.23518       11.90221 
1 1 1 -18 6  2  o 87.23906 3.546577 373.7703       30.22180 342.1000       58.56718 385.2637       35.28205 82.97495 7.284964 88.52328 4.082830 -5.548332      8.351060 
1 1 1 -18 6  3  o 121.5770 3.667836 725.4784       43.59843 911.2000       88.99387 666.8276       50.01101 135.8394 6.713914 116.4800 4.394279 19.35949       8.024109 
1 1 1 -18 6  4  o 103.7413 3.570484 528.3267       36.20239 522.4000       69.32339 530.5490       42.45081 102.7242 6.935116 103.9009 4.182627 -1.176666      8.098778 
1 1 1 -18 6  5  o 24.47147 7.388649 29.75386       19.17933 -5.906000      44.83332 37.74163       21.21895 23.89677 10.36285 27.27374 7.643405 -3.376961      12.87674 
1 1 1 -18 6  6  o 135.5301 3.934686 901.8113       52.14252 801.3000       92.23553 949.0209       63.21285 127.2180 7.439486 138.9492 4.654322 -11.73127      8.775457 
1 1 1 -18 6  7  f 257.0591 5.950073 3251.362       149.7137 2866.000       243.2359 3486.401       189.9606 239.8260 10.38618 265.7297 7.310211 -25.90367      12.70087 
1 1 1 -18 6  8  o 171.3440 5.327210 1444.496       89.23743 0.000000       0.000000 1444.496       89.23743 ?        ?        171.3440 5.327210 ?              ?        
1 1 1 -18 6  9  o 24.53126 8.291607 27.72350       23.64809 0.000000       0.000000 27.72350       23.64809 ?        ?        24.53126 8.291607 ?              ?        
1 1 1 -18 6  10 f 15.57234 7.021472 -11.73968      22.62740 0.000000       0.000000 -11.73968      22.62740 ?        ?        15.57234 7.021472 ?              ?        
1 1 1 -18 6  11 o 42.41550 6.644240 90.77579       26.68017 0.000000       0.000000 90.77579       26.68017 ?        ?        42.41550 6.644240 ?              ?        
1 1 1 -18 6  12 f 79.94350 3.949185 314.3783       30.80708 213.0000       60.30095 350.1845       35.83689 64.74285 9.823410 84.33974 4.355778 -19.59689      10.74580 
1 1 1 -18 6  13 o 78.61636 3.971423 304.1029       30.46185 232.4000       58.48574 330.7953       35.68412 67.84828 9.030572 81.94701 4.465601 -14.09872      10.07436 
1 1 1 -18 6  14 o 27.46134 7.824649 38.25174       22.04923 -6.441000      47.89824 50.26907       24.83734 24.61326 10.69211 31.27476 8.062197 -6.661503      13.39105 
1 1 1 -18 6  15 o 60.96495 3.567134 182.9664       21.19358 179.8038       29.07203 186.5534       30.96163 60.26727 4.972393 61.36302 5.203816 -1.095749      7.197527 
1 1 1 -18 6  16 o 71.38589 3.346822 250.5147       23.32064 225.4487       30.91254 283.6240       35.52773 67.55836 4.704038 75.79755 4.813438 -8.239189      6.730316 
1 1 1 -18 6  17 o 52.34859 5.275077 136.2747       26.66140 94.92000       51.79744 151.1804       31.09724 42.74025 11.92906 55.06887 5.858958 -12.32862      13.29022 
1 1 1 -18 6  18 o 108.2356 3.762911 575.9228       39.80514 481.6000       68.74335 623.5001       48.82274 98.35553 7.190126 112.5259 4.441373 -14.17038      8.451255 
1 1 1 -18 6  19 o 77.96400 3.191038 298.7390       24.30040 277.0630       32.77245 325.2112       36.21707 74.91903 4.489599 81.17666 4.576552 -6.257629      6.411032 
1 1 1 -18 6  20 o 108.6764 4.211218 581.6826       44.71225 577.6000       60.77353 586.5000       66.01674 107.9967 5.770017 108.7229 6.229431 -0.7262268     8.491107 
1 1 1 -18 6  21 o 15.04653 6.309751 1.805718       15.66060 -5.100627      18.09700 22.40000       31.25041 14.67144 6.467115 24.72379 9.379723 -10.05235      11.39310 
1 1 1 -18 6  22 o 129.8644 3.791810 830.0587       48.14793 815.6652       58.84937 859.2000       83.73598 128.5419 4.685089 131.4066 6.530578 -2.864655      8.037320 
1 1 1 -18 6  23 o 61.45387 3.703218 186.4287       22.17252 189.9756       27.01024 179.1000       38.82546 61.91499 4.487284 59.62871 6.771838 2.286285       8.123638 
1 1 1 -18 6  24 o 138.7634 3.430758 946.9972       46.59842 986.5552       66.31499 908.4139       65.49292 141.2223 4.804354 135.4637 4.947608 5.758591       6.896423 
1 1 1 -18 6  25 o 39.52657 4.334835 78.03343       16.49653 62.94734       21.31744 100.5540       26.04575 34.99757 6.460827 44.54157 6.136929 -9.543999      8.910903 
1 1 1 -18 6  26 o 74.88235 3.169286 276.3519       23.17736 264.1473       31.19484 291.3915       34.62896 72.97335 4.387557 76.59777 4.640439 -3.624420      6.386261 
1 1 1 -18 6  27 o 82.11115 3.141219 332.3421       25.20025 294.7597       33.46030 381.5988       38.30631 77.03869 4.456277 87.68138 4.478138 -10.64269      6.317605 
1 1 1 -18 6  28 o 38.44131 4.665987 74.34821       17.19785 67.71307       22.15805 84.40106       27.27417 36.20686 6.490654 40.32525 7.172732 -4.118397      9.673504 
1 1 1 -18 6  29 o 68.81723 3.446104 234.3071       23.13916 251.7846       31.35424 213.4035       34.28990 71.07024 4.530745 65.14213 5.426971 5.928116       7.069630 
1 1 1 -18 6  30 f 19.24154 6.858553 16.47881       16.28369 15.64671       20.53027 17.89015       26.73757 20.09616 7.607487 22.21800 8.612845 -2.121843      11.49152 
1 1 1 -18 6  31 o 16.17563 6.658686 4.917575       16.98719 -0.2616486     21.72664 13.06300       27.24690 16.87630 7.265728 21.27351 8.552325 -4.397205      11.22199 
1 1 1 -18 6  32 o 50.50936 5.149415 129.1143       25.10298 146.1064       29.47771 84.27000       47.88768 53.56683 5.709927 38.64943 11.67632 14.91740       12.99769 
1 1 1 -18 6  33 o 51.99067 5.146258 136.9376       25.84602 154.7279       30.16329 87.79000       50.13461 55.10026 5.673673 39.18060 11.96985 15.91966       13.24643 
1 1 1 -18 6  34 f 15.91109 6.785240 1.250049       18.61839 -18.90878      24.18511 30.57728       29.17097 14.86269 6.905346 25.38694 9.163914 -10.52426      11.47437 
1 1 1 -18 6  35 o 36.28680 6.557639 69.31650       22.43472 70.64000       32.69917 68.13940       30.83758 35.65342 9.280894 35.12134 8.946648 0.5320854      12.89099 
1 1 1 -18 6  36 o 28.01600 7.774839 42.51381       22.07130 92.79000       32.96120 1.646595       29.71730 41.20127 8.456679 19.64121 8.477063 21.56006       11.97397 
1 1 1 -18 6  37 o 42.84902 5.409426 94.63229       22.18346 104.2843       31.20849 84.77515       31.53840 44.05846 7.505431 39.17195 8.472294 4.886509       11.31862 
1 1 1 -18 6  38 o 84.56169 3.704830 357.7135       30.59094 365.9694       43.63943 349.7372       42.89444 84.58932 5.297158 82.66380 5.329665 1.925522       7.514334 
1 1 1 -18 6  39 o 30.57715 7.540653 51.82137       22.42529 60.21732       31.71695 43.42840       31.71133 32.24927 9.444451 28.01532 9.599443 4.233952       13.46651 
1 1 1 -18 6  40 o 29.08502 7.832429 47.61747       22.79209 50.62649       32.15052 44.57742       32.31589 29.56679 9.658440 28.10658 9.688351 1.460211       13.68026 
1 1 1 -18 6  41 o 36.94244 7.052800 74.94879       24.57318 66.35602       34.38498 83.91819       35.13044 33.24949 9.859228 37.59000 9.534861 -4.340504      13.71561 
1 1 1 -18 6  42 o 18.60351 7.822835 7.773827       24.17503 16.94534       33.40388 -2.313203      35.03146 22.37369 9.285695 19.86140 8.862478 2.512291       12.83619 
1 1 1 -18 6  43 o 21.87951 8.330206 22.67168       24.70221 21.65025       35.51504 23.62891       34.38094 23.45383 9.638515 23.61932 9.567120 -0.1654911     13.58053 
1 1 1 -18 6  44 o 42.52976 7.881400 102.7081       31.60181 57.11000       60.81469 119.5755       36.98780 30.86600 12.64063 45.35315 8.647447 -14.48715      15.31548 
1 1 1 -18 6  45 o 16.68887 7.684954 -12.79089      28.98505 26.24000       56.65931 -26.62598      33.73323 26.54480 11.57868 16.59118 7.848403 9.953625       13.98797 
1 1 1 -18 6  46 o 42.51061 6.603070 99.35739       26.58456 94.80269       38.98967 103.3146       36.34227 38.67318 10.16741 41.31218 9.221162 -2.638996      13.72611 
1 1 1 -18 6  47 o 24.83719 9.919198 32.43459       36.40224 32.43459       36.40224 0.000000       0.000000 24.83719 9.919198 ?        ?        ?              ?        
1 1 1 -18 6  48 o 24.97930 9.863370 34.38117       35.60576 34.38117       35.60576 0.000000       0.000000 24.97930 9.863370 ?        ?        ?              ?        
1 1 1 -18 6  49 o 47.84690 6.729150 127.6219       30.64562 128.3639       40.26179 126.6000       47.25139 45.54776 9.344312 43.20025 11.11165 2.347504       14.51844 
1 1 1 -18 6  50 o 17.71034 7.867759 0.5273077      27.29733 -20.41000      49.37964 9.741384       32.75770 20.27030 9.560613 20.32353 8.835288 -0.5323410E-01 13.01797 
1 1 1 -18 6  51 o 21.29887 8.216080 23.03087       24.24277 24.84221       35.54668 21.45575       33.14780 23.09947 9.582203 22.21808 9.238026 0.8813877      13.31014 
1 1 1 -18 6  52 o 29.46369 8.323693 53.08123       25.05913 17.56838       36.51433 84.69828       34.45333 22.06556 9.458226 36.28049 9.566849 -14.21493      13.45298 
1 1 1 -18 6  53 o 25.17256 8.562274 38.50204       25.22030 19.92234       36.64933 55.21494       34.75944 22.31667 9.518421 28.85289 10.04266 -6.536224      13.83674 
1 1 1 -18 6  54 o 17.50651 7.611712 4.865483       24.32003 7.948705       35.87560 2.243820       33.08150 20.46076 9.058312 19.16121 8.576739 1.299549       12.47451 
1 1 1 -18 6  55 o 24.33316 8.584452 36.21590       25.45315 60.04822       37.65252 16.15993       34.54082 29.30409 10.43096 21.19768 9.143944 8.106409       13.87143 
1 1 1 -18 6  56 o 24.54837 8.674499 37.94307       25.99824 79.08701       38.21910 2.507501       35.46887 33.02882 10.50783 19.30794 8.740240 13.72088       13.66771 
1 1 1 -18 7  1  o 120.6428 4.345265 715.2490       51.22877 0.000000       0.000000 715.2490       51.22877 ?        ?        120.6428 4.345265 ?              ?        
1 1 1 -18 7  2  o 287.2648 6.501025 4064.191       182.7976 4251.000       328.5266 3980.419       219.9986 291.6221 11.53190 283.7480 7.928787 7.874054       13.99466 
1 1 1 -18 7  3  o 87.32962 3.539994 374.5618       30.19738 336.7000       59.64470 387.6120       35.01695 82.26705 7.488961 88.79417 4.039491 -6.527122      8.508938 
1 1 1 -18 7  4  o 85.25138 3.585639 357.0124       29.85406 401.2000       62.18814 343.7794       34.03198 89.92163 7.123571 83.59820 4.172139 6.323433       8.255423 
1 1 1 -18 7  5  o 122.8337 3.772200 740.7244       45.30053 635.7000       81.33647 787.9525       54.54316 113.2675 7.376369 126.6225 4.407436 -13.35494      8.592805 
1 1 1 -18 7  6  o 87.22839 4.222950 374.2713       35.94907 0.000000       0.000000 374.2713       35.94907 ?        ?        87.22839 4.222950 ?              ?        
1 1 1 -18 7  7  o 140.9344 4.757064 976.6132       65.52988 0.000000       0.000000 976.6132       65.52988 ?        ?        140.9344 4.757064 ?              ?        
1 1 1 -18 7  8  o 135.7291 4.700855 905.8468       62.35913 0.000000       0.000000 905.8468       62.35913 ?        ?        135.7291 4.700855 ?              ?        
1 1 1 -18 7  9  o 134.6551 4.706796 891.6746       61.94210 0.000000       0.000000 891.6746       61.94210 ?        ?        134.6551 4.706796 ?              ?        
1 1 1 -18 7  10 o 96.56271 4.359088 458.7130       41.09509 0.000000       0.000000 458.7130       41.09509 ?        ?        96.56271 4.359088 ?              ?        
1 1 1 -18 7  11 o 64.67426 4.145104 206.1510       26.10241 182.5000       56.03294 212.7059       29.49863 59.80573 9.919184 65.64395 4.620448 -5.838226      10.94252 
1 1 1 -18 7  12 o 64.68943 4.303992 206.3831       27.09779 79.64000       54.31581 248.3821       31.26680 39.89915 12.50518 70.96748 4.524656 -31.06833      13.29858 
1 1 1 -18 7  13 o 177.7885 5.516982 1557.244       95.89271 0.000000       0.000000 1557.244       95.89271 ?        ?        177.7885 5.516982 ?              ?        
1 1 1 -18 7  14 o 66.23563 4.338824 216.4030       27.97514 129.1000       55.25350 246.4972       32.44043 49.76538 11.56391 70.66277 4.717197 -20.89739      12.48903 
1 1 1 -18 7  15 o 27.13116 8.727898 35.68386       26.31254 46.21000       48.10471 31.19000       31.43136 32.76040 11.77531 26.83476 9.532582 5.925638       15.15018 
1 1 1 -18 7  16 o 130.6068 4.815145 840.1322       61.45216 0.000000       0.000000 840.1322       61.45216 ?        ?        130.6068 4.815145 ?              ?        
1 1 1 -18 7  17 o 7.965495 3.978464 -34.41833      12.74249 -31.44885      15.44868 -40.73831      22.53771 9.663661 4.744540 12.09428 5.893314 -2.430619      7.565832 
1 1 1 -18 7  18 o 57.19551 3.410685 161.1237       19.00784 162.1535       25.36376 159.8044       28.70812 57.23605 4.565090 56.71720 5.229973 0.5188484      6.942094 
1 1 1 -18 7  19 o 31.38639 5.106922 49.76930       15.15052 55.46591       19.14001 40.21103       24.79269 32.98267 6.154900 28.19881 8.374395 4.783859       10.39294 
1 1 1 -18 7  20 f 151.1738 3.555469 1122.561       52.61137 1075.941       72.77955 1173.587       76.14172 147.6461 5.043350 154.2057 5.051292 -6.559570      7.137992 
1 1 1 -18 7  21 o 42.95066 4.522061 91.86042       18.72641 88.39453       22.13025 100.6000       35.14183 41.94384 5.524472 44.14232 8.440749 -2.198483      10.08792 
1 1 1 -18 7  22 o 147.1069 4.022306 1065.946       57.86375 1038.159       70.36227 1124.000       101.7019 144.9313 4.967225 150.1224 6.939911 -5.191116      8.534383 
1 1 1 -18 7  23 o 142.7921 3.967442 1004.822       55.39873 990.3798       67.73576 1034.000       96.27705 141.5060 4.897699 143.8760 6.856140 -2.369965      8.425800 
1 1 1 -18 7  24 o 124.5003 3.732917 763.9261       45.43957 730.4788       54.73405 838.1000       81.50843 121.5190 4.609940 129.5305 6.448998 -8.011459      7.927239 
1 1 1 -18 7  25 o 80.48550 3.844251 320.0604       30.19801 373.1000       57.98073 300.3172       35.37470 86.03497 6.943924 77.78184 4.667788 8.253136       8.366979 
1 1 1 -18 7  26 o 138.8343 4.036459 952.5262       54.79517 915.1000       95.65421 970.8065       66.85087 134.6204 7.286327 139.8469 4.891220 -5.226501      8.775796 
1 1 1 -18 7  27 o 130.5884 4.585919 846.2410       58.52786 860.0000       81.11734 831.3000       84.52987 130.8271 6.353460 128.4071 6.749045 2.419952       9.269093 
1 1 1 -18 7  28 o 51.84180 3.845610 133.5389       19.37527 129.7946       25.63763 138.5254       29.58615 50.78201 5.232588 52.29517 5.881768 -1.513168      7.872431 
1 1 1 -18 7  29 o 54.77459 3.761149 149.0662       20.04296 144.9290       26.30791 154.7896       30.94284 53.67952 5.066882 55.26460 5.806787 -1.585083      7.706625 
1 1 1 -18 7  30 o 38.79259 4.843071 76.13947       17.99026 83.79918       23.23530 64.67453       28.42681 40.37409 6.066924 34.70698 8.448371 5.667107       10.40108 
1 1 1 -18 7  31 o 71.47279 3.994523 254.2499       27.83431 259.5745       32.81716 240.6000       52.54390 71.99737 4.682094 67.81657 8.073876 4.180801       9.333246 
1 1 1 -18 7  32 o 24.16047 7.629975 30.05213       20.18363 40.07661       22.75827 -6.885000      43.68577 27.45752 7.988681 22.48565 9.973147 4.971867       12.77821 
1 1 1 -18 7  33 o 42.41329 5.328572 91.84402       21.63468 83.70000       30.13092 100.5111       31.08344 39.46142 8.073085 43.55245 7.565773 -4.091030      11.06416 
1 1 1 -18 7  34 o 13.88138 6.495912 -19.76311      22.02766 -20.99000      25.79622 -16.46000      42.32667 15.21477 7.090049 20.92171 9.501336 -5.706937      11.85513 
1 1 1 -18 7  35 o 53.22326 4.767462 143.3069       24.57397 148.0000       36.74717 139.5104       33.05155 52.99772 7.275525 51.71508 6.685614 1.282642       9.880824 
1 1 1 -18 7  36 o 35.70269 6.163664 66.87687       20.76168 76.32708       28.27029 55.81248       30.58957 37.46340 7.955391 31.68302 9.274103 5.780382       12.21873 
1 1 1 -18 7  37 o 14.40749 6.523521 -8.786836      19.77344 -18.44438      26.67455 2.993181       29.46026 15.70707 7.281937 19.65131 8.460525 -3.944242      11.16275 
1 1 1 -18 7  38 o 31.94346 7.166474 55.68380       21.85485 56.46403       30.69032 54.88110       31.12920 31.45663 9.311172 31.02600 9.422722 0.4306297      13.24710 
1 1 1 -18 7  39 o 86.85960 3.729941 378.6838       31.63827 354.2544       44.31442 404.0822       45.18481 82.80669 5.498451 88.67933 5.228721 -5.872643      7.587654 
1 1 1 -18 7  40 o 47.16064 5.383675 115.8792       24.40754 112.8845       34.49644 118.8812       34.53854 44.88639 8.151663 46.25060 7.913510 -1.364201      11.36104 
1 1 1 -18 7  41 o 15.40788 6.973180 -7.960131      22.56137 -13.01426      31.72411 -2.788008      32.09228 17.68675 8.105857 19.09703 8.504468 -1.410282      11.74865 
1 1 1 -18 7  42 o 24.01251 8.400042 31.08636       24.33587 26.57978       33.55453 36.08746       35.34765 24.10127 9.556570 26.16208 9.963817 -2.060812      13.80600 
1 1 1 -18 7  43 o 24.76677 8.416843 34.09676       24.37019 24.16294       34.38778 44.11991       34.54204 23.68915 9.577939 27.67771 9.974415 -3.988562      13.82844 
1 1 1 -18 7  44 o 55.81394 5.097665 162.5820       27.54257 186.7017       39.89803 140.6236       38.06849 58.17423 7.157423 49.63504 8.115789 8.539188       10.82103 
1 1 1 -18 7  45 o 20.93868 8.667207 15.49299       28.99551 44.46000       57.53664 5.632085       33.56997 28.68039 12.06484 20.30008 8.882380 8.380308       14.98189 
1 1 1 -18 7  46 o 19.91533 9.016736 -3.756778      37.76779 -53.31000      54.84983 40.92000       52.08111 19.38247 9.386249 27.63091 11.54114 -8.248430      14.87614 
1 1 1 -18 7  47 o 22.78710 8.900764 26.36469       28.72602 22.45435       34.79819 34.73000       50.89682 22.85315 9.480469 26.38332 11.23380 -3.530172      14.69958 
1 1 1 -18 7  48 o 18.72380 8.044542 7.678424       26.52994 9.072505       34.88036 5.765000       40.86415 20.71372 9.058943 21.37766 9.553209 -0.6639309     13.16542 
1 1 1 -18 7  49 o 30.17912 11.15199 61.58000       43.57750 0.000000       0.000000 61.58000       43.57750 ?        ?        30.17912 11.15199 ?              ?        
1 1 1 -18 7  50 o 31.89392 7.961958 60.83485       24.77751 83.16197       37.12588 42.90306       33.27149 35.42472 10.17248 26.41229 9.747222 9.012436       14.08857 
1 1 1 -18 7  51 o 29.41962 8.235291 52.67470       24.64753 32.41352       36.36734 69.88765       33.52022 24.46492 9.864664 32.71909 9.742536 -8.254168      13.86465 
1 1 1 -18 7  52 o 12.80440 6.184988 -29.46593      23.44022 -71.55371      34.61956 6.161785       31.85206 13.35268 6.651497 19.54894 8.599831 -6.196257      10.87196 
1 1 1 -18 7  53 o 15.76811 7.159117 -5.648873      24.01222 -5.494065      35.10585 -5.784975      32.91659 18.66900 8.545125 18.13753 8.291481 0.5314751      11.90663 
1 1 1 -18 7  54 o 21.20389 8.281394 23.08629       24.86491 9.934521       37.02724 33.88832       33.55692 20.85304 9.218666 24.23913 9.574050 -3.386089      13.29083 
1 1 1 -18 7  55 o 22.73595 8.482188 30.06555       25.32237 48.82453       37.68184 14.61839       34.19415 26.95176 10.28200 20.86736 9.049633 6.084396       13.69728 
1 1 1 -18 7  56 o 15.11496 7.026427 -11.24023      25.09414 -14.45167      36.45651 -8.348599      34.59367 17.63576 8.285904 17.85171 8.281911 -0.2159462     11.71521 
1 1 1 -18 8  1  o 204.7866 4.256782 2058.199       85.32752 2019.517       120.4151 2097.212       120.9292 202.4706 6.082828 206.3515 5.993461 -3.880936      8.539459 
1 1 1 -18 8  2  o 182.5037 5.499701 1639.176       98.13439 0.000000       0.000000 1639.176       98.13439 ?        ?        182.5037 5.499701 ?              ?        
1 1 1 -18 8  3  o 88.05089 3.569133 380.8078       30.69740 423.6000       65.25794 368.6482       34.78645 92.37766 7.275749 86.57933 4.116570 5.798325       8.359586 
1 1 1 -18 8  4  o 129.9702 3.872375 829.3856       49.20882 684.7000       87.04783 897.3394       59.65573 117.5138 7.608581 135.1181 4.516930 -17.60428      8.848342 
1 1 1 -18 8  5  o 159.8867 5.058006 1257.376       79.05898 0.000000       0.000000 1257.376       79.05898 ?        ?        159.8867 5.058006 ?              ?        
1 1 1 -18 8  6  o 57.90067 4.708337 165.7294       26.45429 0.000000       0.000000 165.7294       26.45429 ?        ?        57.90067 4.708337 ?              ?        
1 1 1 -18 8  7  o 144.4426 4.821756 1026.078       68.07655 0.000000       0.000000 1026.078       68.07655 ?        ?        144.4426 4.821756 ?              ?        
1 1 1 -18 8  8  o 84.49374 4.351033 351.4147       35.86393 0.000000       0.000000 351.4147       35.86393 ?        ?        84.49374 4.351033 ?              ?        
1 1 1 -18 8  9  o 48.01603 5.155891 114.6297       23.85325 126.4000       58.68712 112.3004       26.10695 49.24993 12.22992 47.43007 5.740004 1.819862       13.50994 
1 1 1 -18 8  10 o 107.2780 4.382536 566.0680       45.92267 0.000000       0.000000 566.0680       45.92267 ?        ?        107.2780 4.382536 ?              ?        
1 1 1 -18 8  11 o 169.8610 5.317844 1420.686       88.30800 0.000000       0.000000 1420.686       88.30800 ?        ?        169.8610 5.317844 ?              ?        
1 1 1 -18 8  12 o 141.8817 4.073957 989.0885       56.51959 862.6000       98.47809 1051.219       69.01859 131.8188 7.665382 146.1587 4.830947 -14.33994      9.060692 
1 1 1 -18 8  13 o 60.71498 4.571564 182.1519       26.96901 163.4000       56.66375 187.6438       30.66496 56.29072 10.67450 61.55285 5.136429 -5.262131      11.84601 
1 1 1 -18 8  14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 8  15 o 141.1904 4.914520 981.8411       67.81562 0.000000       0.000000 981.8411       67.81562 ?        ?        141.1904 4.914520 ?              ?        
1 1 1 -18 8  16 o 32.48069 5.113630 53.17736       15.72084 64.31033       20.58359 37.59185       24.35434 35.60657 6.126816 27.42101 8.335879 8.185560       10.34528 
1 1 1 -18 8  17 o 56.62179 3.418196 157.9174       18.85643 164.2901       25.46500 150.1812       28.05709 57.61794 4.552190 54.96266 5.280048 2.655273       6.971466 
1 1 1 -18 8  18 o 74.16051 3.140996 270.3345       22.74897 249.7844       30.64414 295.5629       33.95362 71.12518 4.423570 77.38012 4.502257 -6.254944      6.311758 
1 1 1 -18 8  19 o 79.23975 3.087516 308.5872       23.90158 303.9828       32.76814 313.8223       34.94019 78.49400 4.281108 79.72550 4.495572 -1.231499      6.207902 
1 1 1 -18 8  20 o 32.34799 4.992706 52.78535       15.30023 48.05016       19.34937 60.68618       24.99393 30.54790 6.659432 34.25079 7.648686 -3.702888      10.14152 
1 1 1 -18 8  21 o 78.40755 3.126501 302.3597       23.94699 277.3780       32.25610 333.0364       35.74420 74.90579 4.419001 82.09290 4.465105 -7.187111      6.282096 
1 1 1 -18 8  22 o 125.7920 3.751495 779.2024       46.14004 766.1748       56.28268 805.9000       80.57105 124.5367 4.625156 127.1613 6.494693 -2.624619      7.973274 
1 1 1 -18 8  23 o 97.30517 3.517691 466.4053       33.44911 457.4847       40.68903 485.0000       58.74545 96.20825 4.331858 98.59318 6.117383 -2.384926      7.495823 
1 1 1 -18 8  24 o 110.1102 3.588823 597.5984       38.62827 577.7810       46.77489 640.1000       68.50028 108.0665 4.431367 113.1799 6.207013 -5.113411      7.626534 
1 1 1 -18 8  25 o 123.9726 3.730810 758.3198       45.22104 737.6130       54.84290 802.3000       79.92683 122.0100 4.600420 126.5042 6.476332 -4.494255      7.943975 
1 1 1 -18 8  26 o 94.23748 3.160934 437.6337       29.11590 459.3777       40.85373 415.1895       41.50623 96.26205 4.347028 91.41930 4.653721 4.842743       6.368185 
1 1 1 -18 8  27 o 69.20752 3.298656 236.5509       22.28150 240.8982       30.06674 231.2551       33.18516 69.59010 4.437115 68.02364 5.019351 1.566467       6.699394 
1 1 1 -18 8  28 o 103.2640 3.216638 526.1891       32.47338 506.0044       44.34080 549.5388       47.69054 100.8664 4.502429 105.0691 4.648656 -4.202751      6.471621 
1 1 1 -18 8  29 o 94.44126 3.254736 440.6572       30.04237 437.7073       41.36531 443.9501       43.70372 93.71603 4.522725 94.29647 4.750265 -0.5804367     6.558968 
1 1 1 -18 8  30 o 22.59484 7.260331 25.70168       18.21133 24.61481       20.40346 29.96000       40.38641 22.57329 7.700900 27.36037 10.59103 -4.787073      13.09480 
1 1 1 -18 8  31 o 56.71801 4.479575 161.2365       24.66755 180.2652       28.96501 111.0000       47.06301 59.82568 4.991742 44.49140 10.89522 15.33429       11.98429 
1 1 1 -18 8  32 f 22.43009 7.265691 25.42495       18.21451 30.79908       23.47896 17.30184       28.86595 24.72138 8.261178 22.45012 8.875841 2.271269       12.12549 
1 1 1 -18 8  33 o 41.47379 5.465520 88.11224       21.64815 111.4000       30.04666 62.97485       31.21709 46.17783 6.855221 33.83105 9.190394 12.34678       11.46549 
1 1 1 -18 8  34 f 65.87229 4.085068 217.0360       26.20993 214.9000       38.58717 218.8656       35.71241 64.66971 6.170595 65.52982 5.621951 -0.8601074     8.347609 
1 1 1 -18 8  35 o 66.35347 4.446415 221.4238       28.71216 219.9092       34.11817 225.1000       53.15310 65.73500 5.348710 64.62782 8.616916 1.107178       10.14199 
1 1 1 -18 8  36 o 12.68646 5.951530 -17.42978      18.68583 -17.78821      24.34795 -16.91616      29.14611 14.97428 6.947359 16.79585 7.724044 -1.821568      10.38878 
1 1 1 -18 8  37 o 22.46911 7.617156 25.71594       19.95817 49.01625       27.02176 -2.252321      29.60502 29.65154 8.726583 18.84019 8.289389 10.81135       12.03608 
1 1 1 -18 8  38 o 14.44727 6.528568 -7.899613      19.68793 -15.41344      27.05828 0.5536904      28.70006 16.11864 7.423371 18.89607 8.241556 -2.777430      11.09188 
1 1 1 -18 8  39 o 13.86615 6.404905 -13.09840      20.35732 -22.18365      27.70981 -2.444834      30.00631 15.45351 7.248950 18.69066 8.278980 -3.237154      11.00403 
1 1 1 -18 8  40 o 72.14674 4.044557 263.3389       28.44799 318.9671       42.21512 217.0622       38.50362 78.33309 5.541520 64.06924 6.217769 14.26385       8.328811 
1 1 1 -18 8  41 o 72.65160 4.058976 267.6285       28.74999 313.1866       42.48136 229.1290       39.05204 77.38383 5.647315 65.75473 6.138439 11.62910       8.341020 
1 1 1 -18 8  42 o 17.00963 7.389074 1.504222       22.87569 0.9556824E-01  32.87304 2.826834       31.85327 19.58594 8.670994 19.72260 8.640411 -0.1366558     12.24103 
1 1 1 -18 8  43 o 31.74920 7.819104 57.78976       24.13639 80.35462       34.87329 37.04179       33.43985 36.31417 9.648040 26.03970 9.740813 10.27447       13.71015 
1 1 1 -18 8  44 o 34.87204 7.381777 68.81628       24.41038 37.90811       34.85656 98.56387       34.19589 26.16437 9.910761 40.83207 8.814512 -14.66770      13.26344 
1 1 1 -18 8  45 o 15.25876 7.001309 -10.64327      23.76137 -16.90685      33.70518 -4.454587      33.50304 17.51236 8.141686 18.90301 8.531660 -1.390650      11.79306 
1 1 1 -18 8  46 o 36.11777 10.61778 85.80025       40.02184 19.89000       56.95273 150.1000       56.25261 25.50668 11.34590 46.29702 12.23197 -20.79035      16.68383 
1 1 1 -18 8  47 o 28.70110 9.813662 52.08549       33.13837 27.04000       56.12470 65.49000       41.05959 25.89710 11.40317 31.20083 10.91128 -5.303726      15.78253 
1 1 1 -18 8  48 o 21.02907 8.795385 16.59265       30.30823 0.000000       0.000000 16.59265       30.30823 ?        ?        21.02907 8.795385 ?              ?        
1 1 1 -18 8  49 o 37.20476 7.993992 81.86147       28.24382 106.4610       38.73653 53.94000       41.26925 40.81776 9.816193 28.74704 10.80708 12.07072       14.59968 
1 1 1 -18 8  50 o 34.88555 8.356410 73.72559       28.15893 61.05609       37.97530 89.20000       41.96900 30.18196 10.49745 35.88092 10.94982 -5.698952      15.16888 
1 1 1 -18 8  51 o 18.79136 7.785235 12.35887       23.42318 64.58968       35.98971 -26.02266      30.85149 31.07155 10.22276 15.52062 7.389101 15.55094       12.61363 
1 1 1 -18 8  52 o 34.56864 7.452163 69.96107       24.47233 93.99399       36.44073 50.21819       33.02853 38.05166 9.742825 27.90278 9.784106 10.14888       13.80766 
1 1 1 -18 8  53 o 24.75547 8.447775 37.04396       24.55337 38.32142       36.75584 36.01453       32.99520 25.34099 10.01664 24.71472 9.571312 0.6262741      13.85435 
1 1 1 -18 8  54 f 15.69230 7.153404 -6.256437      24.27756 -11.02224      36.76306 -2.570725      32.32990 18.31545 8.510946 18.28352 8.303480 0.3192711E-01  11.89050 
1 1 1 -18 8  55 o 28.53979 8.566827 52.02396       25.83847 41.94081       38.81636 60.04673       34.62413 25.59739 10.23610 29.41653 10.03188 -3.819136      14.33235 
1 1 1 -18 8  56 o 17.71601 8.028069 -0.9518097     30.01896 6.526720       36.43415 -16.76000      52.97142 19.91681 8.951085 20.34647 9.685363 -0.4296513     13.18818 
1 1 1 -18 9  1  o 269.2365 5.328171 3563.817       140.4165 3291.615       189.6163 3894.345       208.9459 258.0667 7.514503 280.6839 7.612220 -22.61716      10.69643 
1 1 1 -18 9  2  o 49.91472 3.649547 122.8456       17.70769 98.22869       27.17924 141.0015       23.34151 44.19395 6.475042 53.40013 4.507664 -9.206173      7.889563 
1 1 1 -18 9  3  o 113.0517 3.674991 627.5278       40.61274 653.6000       82.10188 619.0814       46.73045 114.8351 7.342659 112.2249 4.261811 2.610184       8.489857 
1 1 1 -18 9  4  o 137.5610 4.635973 930.4073       62.33347 0.000000       0.000000 930.4073       62.33347 ?        ?        137.5610 4.635973 ?              ?        
1 1 1 -18 9  5  o 185.4530 5.591202 1693.408       101.3792 0.000000       0.000000 1693.408       101.3792 ?        ?        185.4530 5.591202 ?              ?        
1 1 1 -18 9  6  o 180.4504 5.496146 1603.137       96.96518 0.000000       0.000000 1603.137       96.96518 ?        ?        180.4504 5.496146 ?              ?        
1 1 1 -18 9  7  o 126.4398 4.534166 786.1606       56.02524 0.000000       0.000000 786.1606       56.02524 ?        ?        126.4398 4.534166 ?              ?        
1 1 1 -18 9  8  o 159.2686 5.095333 1248.346       79.33227 0.000000       0.000000 1248.346       79.33227 ?        ?        159.2686 5.095333 ?              ?        
1 1 1 -18 9  9  o 68.89132 4.492434 234.0929       30.12846 0.000000       0.000000 234.0929       30.12846 ?        ?        68.89132 4.492434 ?              ?        
1 1 1 -18 9  10 o 163.6263 4.348345 1315.845       69.58221 1139.000       118.8515 1408.072       85.82928 151.4420 8.046624 169.1186 5.191017 -17.67659      9.575741 
1 1 1 -18 9  11 o 36.88283 6.450097 69.01800       22.43861 35.92000       51.72932 76.68891       24.90346 31.59970 12.04900 38.86380 6.793686 -7.264095      13.83230 
1 1 1 -18 9  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 9  13 o 145.1743 4.138550 1035.872       58.74905 955.9000       103.4693 1073.920       71.36909 138.7338 7.649042 147.6856 4.944000 -8.951782      9.107742 
1 1 1 -18 9  14 o 37.65725 6.622553 72.06458       23.51995 9.352000       50.91829 89.07468       26.51856 27.38209 11.42246 41.95741 6.680880 -14.57532      13.23279 
1 1 1 -18 9  15 o 101.4904 3.698048 506.3441       36.67558 395.1000       64.51777 559.4540       44.57884 88.98399 7.476398 106.6094 4.280661 -17.62546      8.615137 
1 1 1 -18 9  16 o 110.8664 3.772130 604.3080       40.87521 492.5000       71.73862 658.0554       49.73879 99.39090 7.427664 115.6037 4.403642 -16.21282      8.634944 
1 1 1 -18 9  17 f 159.3792 3.652922 1247.467       56.98734 1196.590       79.29889 1301.803       81.95107 155.7349 5.209386 162.4567 5.160147 -6.721756      7.332450 
1 1 1 -18 9  18 o 53.83646 3.500828 142.9282       18.34813 134.5431       24.48015 153.6769       27.71651 52.03866 4.862268 55.59832 5.151545 -3.559662      7.083789 
1 1 1 -18 9  19 o 69.80544 3.213865 239.7324       21.90061 214.5006       29.34778 271.4418       32.89998 65.83661 4.582698 74.10210 4.557906 -8.265495      6.463407 
1 1 1 -18 9  20 o 72.30734 3.219529 257.2744       22.72953 257.6114       31.20160 256.8934       33.17821 72.17983 4.437715 72.02852 4.732105 0.1513138      6.487382 
1 1 1 -18 9  21 o 81.53849 3.094508 326.9905       24.65311 329.8547       33.81637 323.7413       36.01711 81.72031 4.242091 80.89856 4.566981 0.8217545      6.233190 
1 1 1 -18 9  22 o 85.89541 4.577481 365.1754       38.34702 0.000000       0.000000 365.1754       38.34702 ?        ?        85.89541 4.577481 ?              ?        
1 1 1 -18 9  23 o 75.59438 4.864204 283.7917       35.80110 299.4000       56.62917 273.4000       46.20670 76.86443 7.627269 73.78233 6.463236 3.082108       9.997433 
1 1 1 -18 9  24 o 83.92029 4.736301 349.6413       38.74772 364.7000       60.55364 339.2000       50.42218 84.87969 7.361070 82.20112 6.315049 2.678574       9.698721 
1 1 1 -18 9  25 o 91.18949 4.714474 413.0628       41.93795 391.0000       63.85305 429.8000       55.61512 87.72602 7.508252 92.54227 6.175022 -4.816246      9.721355 
1 1 1 -18 9  26 o 48.09101 4.164148 115.2162       19.40885 93.91721       22.50235 177.1000       38.35637 43.09135 5.457156 58.98134 6.766169 -15.88999      8.692617 
1 1 1 -18 9  27 o 76.49973 3.578563 289.5029       26.72203 277.0754       32.10968 317.5000       48.19480 74.62754 4.415462 79.27528 6.261737 -4.647743      7.661962 
1 1 1 -18 9  28 o 49.23037 3.880837 120.6758       18.54987 109.6676       23.57074 138.5871       30.06609 46.57753 5.262025 52.19939 5.993020 -5.621861      7.975286 
1 1 1 -18 9  29 o 54.26099 4.272051 147.0989       22.50690 142.6417       25.69321 161.8000       46.66225 53.23036 4.989354 55.15806 8.949144 -1.927696      10.24602 
1 1 1 -18 9  30 o 35.89516 5.180282 65.76080       17.67500 73.27721       22.24317 52.88374       29.11386 37.60170 6.263658 31.33515 9.011357 6.266550       10.97442 
1 1 1 -18 9  31 o 31.20841 5.988615 50.77852       17.62867 51.65334       22.77667 49.47150       27.84014 31.07287 7.561408 30.30374 8.841119 0.7691269      11.63358 
1 1 1 -18 9  32 o 52.38018 4.466291 137.9058       22.68097 142.4000       32.41307 133.5940       31.74870 52.51264 6.440649 50.80293 6.535810 1.709709       9.175989 
1 1 1 -18 9  33 o 14.37370 6.423531 -6.348757      18.47712 -15.85000      24.75303 5.607241       27.76713 15.46959 7.115603 19.83885 8.365447 -4.369254      10.98237 
1 1 1 -18 9  34 o 63.64404 3.901889 202.4076       24.19058 232.6446       33.78556 170.5995       34.65220 67.75539 5.132432 57.47269 6.260845 10.28269       8.095680 
1 1 1 -18 9  35 o 21.31126 7.618385 21.29153       20.10612 40.62000       28.20809 1.330237       28.66614 27.61101 9.048553 19.26653 8.320615 8.344477       12.29264 
1 1 1 -18 9  36 o 15.02404 6.803459 -9.386597      21.51423 -31.95497      24.70778 61.38000       43.75199 13.49933 6.476884 32.88729 11.27534 -19.38797      13.00321 
1 1 1 -18 9  37 o 25.64298 7.444447 35.79705       19.78251 44.91826       26.82396 24.92009       29.29208 28.42812 8.768619 23.66354 9.056081 4.764580       12.60561 
1 1 1 -18 9  38 o 13.22878 6.134117 -13.65356      18.94134 -11.34769      25.03772 -16.73914      28.96319 15.92094 7.260285 16.55517 7.644392 -0.6342344     10.54270 
1 1 1 -18 9  39 o 18.19431 7.304154 11.02134       19.84455 -0.5129453     26.50085 25.74558       29.94202 17.93083 7.867536 23.62702 9.126451 -5.696190      12.04949 
1 1 1 -18 9  40 f 18.10730 7.392374 9.790532       20.71842 6.396422       28.64210 13.51559       30.00602 19.60204 8.388998 21.16472 8.793791 -1.562679      12.15344 
1 1 1 -18 9  41 o 50.62417 4.916597 132.6310       24.05643 142.2239       34.24139 123.2812       33.80467 51.06318 7.037695 47.11340 7.588056 3.949787       10.34929 
1 1 1 -18 9  42 o 12.78214 6.106284 -24.52132      21.44821 -21.57248      30.43662 -27.43010      30.22915 16.24417 7.612608 15.58026 7.387676 0.6639061      10.60800 
1 1 1 -18 9  43 f 68.21579 4.297518 237.9169       28.54934 278.7747       41.59118 201.5121       39.25938 72.52030 5.910367 60.94667 6.690814 11.57363       8.927454 
1 1 1 -18 9  44 o 14.02707 6.572925 -17.36040      22.68084 -43.71503      31.86859 9.690115       32.28659 14.57571 7.080935 20.67047 8.877614 -6.094763      11.35569 
1 1 1 -18 9  45 o 39.58944 7.914557 90.38407       29.59707 110.9498       35.34476 42.12000       54.14582 43.37657 8.628341 28.05450 11.74639 15.32207       14.57484 
1 1 1 -18 9  46 o 41.49290 7.205019 97.39779       28.20173 112.6183       37.50725 77.60000       42.77680 42.93502 9.201450 33.76261 11.14678 9.172413       14.45398 
1 1 1 -18 9  47 o 35.43496 9.134014 78.06351       31.88172 0.000000       0.000000 78.06351       31.88172 ?        ?        35.43496 9.134014 ?              ?        
1 1 1 -18 9  48 o 23.00089 8.691625 28.77246       26.77101 -46.39000      54.51578 52.65769       30.73170 19.44097 9.400835 28.85193 9.444027 -9.410961      13.32536 
1 1 1 -18 9  49 o 39.33064 6.706218 87.01004       24.89233 82.62057       38.30199 90.21962       32.75209 35.06216 10.40789 38.20745 8.920408 -3.145298      13.70758 
1 1 1 -18 9  50 o 34.07522 8.381296 70.72220       27.75832 56.56996       37.65837 87.56000       41.07633 29.16465 10.42623 35.57989 10.82773 -6.415234      15.03150 
1 1 1 -18 9  51 o 22.25996 8.651925 25.95322       27.03547 12.77834       36.09520 42.79000       40.80427 21.28175 9.262895 26.47985 10.52598 -5.198103      14.02133 
1 1 1 -18 9  52 o 53.09300 5.965315 154.3257       30.46540 142.9843       39.44201 171.1000       47.96763 48.47415 8.629057 51.63047 9.850842 -3.156326      13.09579 
1 1 1 -18 9  53 o 18.29981 7.753188 9.630577       24.03792 23.74603       36.65266 -1.022845      31.84216 22.85861 9.623430 18.46292 8.326681 4.395687       12.72572 
1 1 1 -18 9  54 o 23.18180 8.441504 31.68672       24.82461 72.93864       37.81623 0.4483523      32.90791 32.17005 10.47269 18.75310 8.460547 13.41695       13.46321 
1 1 1 -18 9  55 o 22.20663 9.037826 26.12602       30.85254 22.73345       37.83430 32.86000       53.30372 22.38628 9.612242 24.94530 11.04269 -2.559029      14.64022 
1 1 1 -18 9  56 o 24.72320 8.486407 38.93839       24.78682 25.58249       36.65467 50.19172       33.64598 22.47190 9.549585 26.91824 9.823667 -4.446331      13.70033 
1 1 1 -18 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 10 2  o 157.7326 4.992650 1223.991       76.98594 0.000000       0.000000 1223.991       76.98594 ?        ?        157.7326 4.992650 ?              ?        
1 1 1 -18 10 3  o 264.3228 6.041959 3440.640       156.3215 3210.000       260.1261 3571.016       195.5753 253.5243 10.50510 268.7552 7.441649 -15.23090      12.87382 
1 1 1 -18 10 4  o 133.3037 3.724732 872.4341       48.55318 845.2000       83.64996 886.2710       59.62507 130.7707 6.555959 134.2547 4.543802 -3.483978      7.976637 
1 1 1 -18 10 5  o 185.9459 4.561249 1698.334       83.01884 1691.000       143.8813 1701.994       101.6457 184.6915 7.977680 185.8945 5.592556 -1.203003      9.742693 
1 1 1 -18 10 6  o 151.3358 4.031934 1124.901       59.67252 1057.000       101.5066 1160.759       73.76479 146.1370 7.117642 153.5986 4.912634 -7.461670      8.648398 
1 1 1 -18 10 7  o 184.8424 4.658587 1679.777       84.22012 1439.000       141.1241 1812.962       104.9597 170.1605 8.499892 191.8448 5.595390 -21.68428      10.17627 
1 1 1 -18 10 8  o 96.02327 3.692462 453.0698       34.64086 329.5000       67.45432 497.3319       40.37103 81.05344 8.635006 100.5647 4.109927 -19.51125      9.563202 
1 1 1 -18 10 9  o ?        ?        -77.21327      18.20827 -181.2000      51.40897 -62.29732      19.47042 14.37544 7.281511 9.227625 4.650765 5.147811       8.640024 
1 1 1 -18 10 10 o ?        ?        -80.18883      18.74705 -80.01000      48.96125 -80.21955      20.29359 18.28653 8.858517 ?        ?        ?              ?        
1 1 1 -18 10 11 o 144.8762 5.129205 1033.873       72.62190 893.3000       102.0677 1178.000       103.3501 134.0729 7.811349 154.2764 6.861088 -20.20345      10.39672 
1 1 1 -18 10 12 o 134.4624 4.723082 890.0462       62.06657 0.000000       0.000000 890.0462       62.06657 ?        ?        134.4624 4.723082 ?              ?        
1 1 1 -18 10 13 o 96.81675 3.741208 460.8424       35.38755 331.6000       67.03807 510.7672       41.66557 81.23476 8.559383 101.8771 4.187174 -20.64234      9.528666 
1 1 1 -18 10 14 o 165.4928 4.334757 1347.111       70.15781 1156.000       116.1155 1456.994       88.04642 152.4303 7.808409 171.9197 5.238258 -19.48941      9.402692 
1 1 1 -18 10 15 o 34.30888 6.291248 59.94656       20.34923 80.43000       43.73182 54.28578       22.98975 39.37236 10.95063 32.45695 7.401074 6.915409       13.21712 
1 1 1 -18 10 16 o 39.72515 5.596422 79.35065       21.15883 34.59000       44.71003 92.26839       24.01873 29.94047 11.25010 42.83940 5.883187 -12.89894      12.69554 
1 1 1 -18 10 17 o 24.73249 7.591623 30.46866       20.13614 50.34000       43.52864 25.05858       22.71242 32.75404 11.24597 23.50887 8.121371 9.245161       13.87186 
1 1 1 -18 10 18 o 43.45435 3.988865 93.62917       16.77725 100.0670       22.37102 85.35421       25.36285 44.74065 5.205400 41.00918 6.537798 3.731464       8.356973 
1 1 1 -18 10 19 o 104.8185 3.145375 539.9625       32.23478 513.9828       44.75620 567.9647       46.46558 102.0409 4.491982 107.2868 4.434207 -5.245827      6.311901 
1 1 1 -18 10 20 o 40.33394 4.134568 80.93386       16.09247 76.75146       20.58101 87.51367       25.81431 39.00869 5.546233 41.47919 6.577261 -2.470509      8.603550 
1 1 1 -18 10 21 o 25.34030 5.911678 33.11970       14.39348 48.89788       18.15921 6.453989       23.60723 30.83689 6.230832 19.11495 7.857146 11.72194       10.02786 
1 1 1 -18 10 22 o 38.92620 4.334167 75.67347       16.23432 86.21207       21.08182 60.31893       25.44690 41.38441 5.327805 33.99999 7.810776 7.384418       9.454825 
1 1 1 -18 10 23 o 104.0680 3.158102 533.1266       32.13266 509.4033       44.02939 560.1603       47.00092 101.4351 4.445332 106.3558 4.525146 -4.920738      6.343338 
1 1 1 -18 10 24 o 142.0206 5.078459 1002.138       70.48391 1141.000       110.0634 905.6000       91.77034 150.2428 7.507948 134.0849 7.016653 16.15785       10.27632 
1 1 1 -18 10 25 o 88.42693 3.515725 386.1103       30.36960 369.0571       36.42452 425.0000       55.00592 86.25120 4.328253 91.96339 6.145939 -5.712196      7.517070 
1 1 1 -18 10 26 o 82.10812 3.549837 333.2560       28.46253 321.5974       34.12620 359.9000       51.58987 80.45602 4.349515 84.46114 6.285296 -4.005112      7.643509 
1 1 1 -18 10 27 o 94.53594 3.611922 442.1380       33.36122 432.7297       39.92667 463.9000       60.72346 93.28632 4.384863 95.69772 6.521562 -2.411400      7.858613 
1 1 1 -18 10 28 o 91.80236 4.397305 419.7409       39.39872 419.7409       39.39872 0.000000       0.000000 91.80236 4.397305 ?        ?        ?              ?        
1 1 1 -18 10 29 o 58.16356 3.674069 168.1118       20.81036 133.7245       26.48214 223.6314       33.64935 51.39568 5.341891 66.64662 5.199244 -15.25095      7.454391 
1 1 1 -18 10 30 o 35.21704 5.292719 63.51648       17.68095 60.48253       22.65917 68.23937       28.27118 33.81861 7.072921 35.59204 8.272612 -1.773438      10.88404 
1 1 1 -18 10 31 o 102.6654 3.672589 523.2997       36.84702 569.5000       59.85310 495.1043       46.75781 106.0040 5.790426 99.34612 4.822769 6.657883       7.535790 
1 1 1 -18 10 32 o 43.71655 4.921918 96.99193       20.69579 124.9000       29.07836 68.34270       29.46194 49.21698 6.171303 35.38289 8.593359 13.83409       10.57974 
1 1 1 -18 10 33 o 55.49627 4.061865 154.2392       21.91176 182.2732       30.18614 123.0156       31.85715 59.93830 5.196426 48.47112 6.909981 11.46718       8.645848 
1 1 1 -18 10 34 o 47.38184 4.616916 113.6215       21.14136 142.2088       28.87709 80.59903       31.03636 52.63288 5.695837 38.33627 8.494549 14.29661       10.22741 
1 1 1 -18 10 35 o 69.06364 3.723797 238.2126       25.08029 254.1292       34.99896 221.4114       35.95826 70.73704 5.088785 65.72832 5.643655 5.008720       7.599117 
1 1 1 -18 10 36 o 11.83612 5.675549 -24.86134      18.90985 -36.94000      25.88797 -11.04478      27.68781 13.45374 6.498951 16.98873 7.703097 -3.534988      10.07840 
1 1 1 -18 10 37 o 30.67236 7.736876 52.20346       23.22220 47.35602       27.58724 63.99000       43.01753 29.01742 8.881948 32.96165 11.18283 -3.944235      14.28092 
1 1 1 -18 10 38 o 20.01468 7.452418 18.20881       19.52854 49.88479       26.54972 -19.13024      28.82548 29.57200 8.635529 16.18311 7.525603 13.38889       11.45457 
1 1 1 -18 10 39 o 19.90853 7.583615 17.28457       20.47926 14.28713       27.92317 20.77366       30.12624 20.89897 8.562846 22.61349 9.026183 -1.714523      12.44164 
1 1 1 -18 10 40 o 45.15744 5.305655 106.5569       23.00483 127.5453       32.84386 86.34286       32.23225 48.28250 7.166717 38.58536 8.737886 9.697136       11.30099 
1 1 1 -18 10 41 o 41.21052 5.859649 90.40675       22.97130 110.1823       32.76158 71.28217       32.21789 44.26077 7.849449 34.51060 9.320306 9.750175       12.18532 
1 1 1 -18 10 42 o 26.33537 8.001935 39.61185       22.44582 60.90372       31.34193 17.19362       32.16026 31.77593 9.410470 22.05010 9.127673 9.725828       13.10997 
1 1 1 -18 10 43 o 64.94663 4.370734 216.3770       27.62365 240.2508       38.67190 191.5052       39.47185 67.17937 5.942244 59.06673 6.960637 8.112640       9.152088 
1 1 1 -18 10 44 o 35.95531 8.383101 76.19275       28.95766 95.56329       35.00373 34.19000       51.54449 39.74215 9.182729 26.85647 11.36473 12.88569       14.61094 
1 1 1 -18 10 45 o 18.79690 7.936767 9.156775       25.04875 37.13382       32.83704 -29.78000      38.73851 25.60671 9.637109 17.52527 8.325314 8.081440       12.73518 
1 1 1 -18 10 46 o 24.12711 9.325677 31.62929       31.27840 0.000000       0.000000 31.62929       31.27840 ?        ?        24.12711 9.325677 ?              ?        
1 1 1 -18 10 47 o 19.72837 7.861133 16.90807       22.81235 5.785907       34.42196 25.61882       30.46272 20.14758 8.898445 22.73498 9.075857 -2.587399      12.71037 
1 1 1 -18 10 48 o 36.56921 7.098048 76.35341       24.49094 42.72960       37.74591 100.8008       32.18564 26.58595 10.25294 41.14924 8.277942 -14.56329      13.17753 
1 1 1 -18 10 49 o 25.06772 8.862356 37.63063       27.13915 4.684000       54.18151 48.66527       31.35629 23.12286 10.59575 27.70423 9.543678 -4.581369      14.26014 
1 1 1 -18 10 50 o 35.25573 10.24027 83.29443       37.42321 63.60000       53.76770 101.8000       52.11959 29.91072 12.01767 36.48370 12.30956 -6.572985      17.20319 
1 1 1 -18 10 51 f 38.86306 7.746934 88.96329       28.43485 121.1674       37.68681 46.40000       43.32629 44.25729 9.006310 27.14170 10.82753 17.11559       14.08364 
1 1 1 -18 10 52 f 25.53399 8.856641 40.17648       27.02268 35.44810       35.61720 46.59000       41.48125 24.74367 9.834743 26.94597 10.64418 -2.202301      14.49209 
1 1 1 -18 10 53 o 20.96348 8.543191 20.08800       27.61161 41.15466       36.98502 -6.438000      41.50150 25.79441 10.09252 19.80119 9.145880 5.993216       13.62006 
1 1 1 -18 10 54 o 18.74760 8.299180 5.179171       30.10839 17.43527       36.66926 -20.18000      52.74649 21.64031 9.378193 20.34205 9.678024 1.298258       13.47645 
1 1 1 -18 10 55 o 43.57190 6.401913 107.9770       26.49021 75.50076       38.89960 136.0621       36.17430 32.00122 10.63198 47.09814 8.141160 -15.09692      13.39095 
1 1 1 -18 11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 2  o 101.0888 3.389419 501.7291       33.49036 429.9000       57.69144 538.2379       41.13010 93.16949 6.364248 104.6396 4.023162 -11.47007      7.529242 
1 1 1 -18 11 3  o 179.5881 5.438612 1588.399       95.49290 0.000000       0.000000 1588.399       95.49290 ?        ?        179.5881 5.438612 ?              ?        
1 1 1 -18 11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 5  o 89.90023 3.373742 396.9449       29.63518 310.0000       49.24776 446.3011       37.10524 79.02789 6.421782 95.26936 3.987835 -16.24146      7.559240 
1 1 1 -18 11 6  o 90.32184 4.155390 401.4124       36.63916 352.8000       50.92044 453.6000       52.75970 84.37234 6.209244 95.81831 5.650408 -11.44597      8.395346 
1 1 1 -18 11 7  o 267.5825 6.110205 3529.385       160.0367 3626.000       283.1916 3484.053       193.9816 269.0028 10.77698 265.2866 7.477776 3.716248       13.11718 
1 1 1 -18 11 8  o 27.62992 7.233123 39.12054       19.78737 -95.79000      53.43702 60.55862       21.30160 18.58604 9.060601 34.47396 6.552145 -15.88791      11.18146 
1 1 1 -18 11 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 10 o 163.2277 4.371721 1310.018       69.78487 1166.000       119.5215 1384.507       85.95804 153.1448 8.001042 167.6388 5.244939 -14.49399      9.566925 
1 1 1 -18 11 11 o 181.7173 5.556008 1628.383       98.70860 0.000000       0.000000 1628.383       98.70860 ?        ?        181.7173 5.556008 ?              ?        
1 1 1 -18 11 12 o 116.3994 3.797888 665.9647       43.21329 513.1000       77.83930 734.0676       51.95508 101.3816 7.906407 122.1317 4.352998 -20.75014      9.025512 
1 1 1 -18 11 13 f 117.6215 3.735017 680.0012       42.94716 618.2000       77.66984 707.2184       51.54375 111.4972 7.154513 119.8561 4.400961 -8.358910      8.399733 
1 1 1 -18 11 14 o 38.68317 5.561002 75.27010       20.45186 63.88000       43.91525 78.42465       23.11111 35.70684 11.25177 39.37970 6.200539 -3.672859      12.84714 
1 1 1 -18 11 15 o 62.73972 4.015559 194.2472       24.53065 141.6000       48.87531 211.9751       28.36161 52.31187 9.907793 65.49225 4.450642 -13.18037      10.86152 
1 1 1 -18 11 16 o 61.88472 4.064086 189.1058       24.48174 127.0000       48.28455 210.5968       28.40347 49.33912 10.32977 65.26272 4.473364 -15.92360      11.25678 
1 1 1 -18 11 17 o 71.17913 3.889984 249.8410       26.99931 142.5000       50.74076 292.2365       31.88846 52.28436 10.28126 76.94530 4.250459 -24.66094      11.12523 
1 1 1 -18 11 18 o 33.24986 6.767494 56.85730       21.27551 55.73000       44.61844 57.18904       24.20437 33.87360 11.38922 33.22175 7.607496 0.6518440      13.69629 
1 1 1 -18 11 19 o 102.2348 3.514837 514.4181       35.12076 588.3000       59.76075 475.4379       43.40791 108.8759 5.626704 98.09547 4.533039 10.78040       7.225527 
1 1 1 -18 11 20 o 27.99605 5.609379 40.18132       14.83548 46.98153       18.84161 29.08793       24.06520 30.16092 6.568624 24.78964 8.364436 5.371281       10.63535 
1 1 1 -18 11 21 o 110.5745 3.207326 601.5939       34.67728 609.6849       49.27180 593.6526       48.81358 111.0204 4.543686 109.5437 4.562456 1.476631       6.439028 
1 1 1 -18 11 22 o 60.92130 3.364367 183.1866       19.98431 187.6669       26.89362 177.6623       29.86322 61.46197 4.501520 59.65054 5.165512 1.811428       6.851729 
1 1 1 -18 11 23 o 12.54119 5.517547 -3.362161      13.11424 -15.93727      15.84278 24.01030       23.37398 11.69578 5.484647 23.16257 8.221212 -11.46680      9.882798 
1 1 1 -18 11 24 o 57.74292 3.418604 164.8645       19.23560 134.8443       24.70981 211.0378       30.64487 51.89952 4.922933 65.04602 4.848031 -13.14650      6.909317 
1 1 1 -18 11 25 o 107.5671 3.655802 571.7399       38.43588 564.2952       46.68633 587.4000       67.71211 106.6077 4.484001 107.9643 6.436594 -1.356529      7.844489 
1 1 1 -18 11 26 o 99.26930 4.371350 489.6762       42.37117 489.6762       42.37117 0.000000       0.000000 99.26930 4.371350 ?        ?        ?              ?        
1 1 1 -18 11 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 11 28 o 74.33531 3.719768 274.2108       26.97957 263.5131       31.93206 300.9000       50.43704 72.63098 4.513886 76.68750 6.789291 -4.056519      8.152892 
1 1 1 -18 11 29 o 28.67409 6.445869 43.26540       17.65049 33.94338       20.07406 75.03000       37.05542 25.44619 7.530039 36.88823 10.00968 -11.44204      12.52578 
1 1 1 -18 11 30 o 75.48117 3.647800 283.0354       26.87128 251.3000       38.42069 313.4233       37.59617 70.39185 5.622891 78.98339 4.886905 -8.591545      7.449748 
1 1 1 -18 11 31 o 70.19809 3.809871 245.4401       26.08021 294.5000       39.42500 207.2667       34.77676 76.30905 5.311396 63.82879 5.623748 12.48026       7.735468 
1 1 1 -18 11 32 o 36.15081 5.389802 67.23847       18.49005 68.98378       24.19458 64.78796       28.66885 36.03342 7.112320 34.42249 8.547822 1.610931       11.11982 
1 1 1 -18 11 33 o 22.07234 7.184429 24.81091       17.79731 -0.7109019     23.02822 62.66484       28.04531 17.12003 7.425504 33.77267 8.493308 -16.65264      11.28160 
1 1 1 -18 11 34 o 44.67422 4.837669 101.5356       20.81718 125.6819       28.43230 73.63485       30.56292 49.27845 6.019313 36.48562 8.683906 12.79283       10.56609 
1 1 1 -18 11 35 o 26.36907 7.159539 37.64137       18.95087 52.39520       25.31639 18.83756       28.58068 30.77071 8.240919 22.36162 8.834687 8.409094       12.08157 
1 1 1 -18 11 36 o 30.61238 6.830289 50.75051       19.94627 64.08499       26.88973 34.43713       29.74202 33.90182 8.194736 25.88185 9.264266 8.019974       12.36852 
1 1 1 -18 11 37 f 14.34249 6.482292 -7.728483      19.41922 -32.72000      26.71795 20.25859       28.27390 14.06795 6.745884 22.33241 8.798285 -8.264458      11.08678 
1 1 1 -18 11 38 o 60.95585 6.934619 199.7209       40.64085 197.9000       71.22314 200.6000       49.48843 54.33516 13.46144 59.60513 8.742009 -5.269974      16.05095 
1 1 1 -18 11 39 o 39.54552 5.820583 82.89622       21.85716 89.33834       30.49135 76.08710       31.34784 39.74889 8.111832 36.11775 8.920456 3.631138       12.05721 
1 1 1 -18 11 40 o 20.61309 7.688595 20.10470       20.80356 19.61538       28.68552 20.64760       30.21542 21.95623 8.792912 22.43703 9.010989 -0.4807968     12.59020 
1 1 1 -18 11 41 o 48.41369 5.145952 122.3025       24.01283 132.8825       34.45461 112.3098       33.48470 48.94827 7.423887 44.54567 7.972261 4.402596       10.89362 
1 1 1 -18 11 42 o 17.42935 7.390792 5.670823       21.87514 22.06581       30.00431 -12.93167      31.96050 22.52133 9.001699 17.60279 8.092665 4.918535       12.10462 
1 1 1 -18 11 43 o 20.82033 8.355410 17.70504       25.95819 7.516450       30.83908 42.47000       48.07984 20.01413 8.636782 27.87080 11.30475 -7.856668      14.22643 
1 1 1 -18 11 44 o 13.00151 6.298806 -34.01567      24.76671 -36.97132      31.48701 -29.22000      40.10788 14.95544 7.210194 17.95638 8.512970 -3.000941      11.15605 
1 1 1 -18 11 45 o 32.78590 9.689269 68.06643       33.25493 0.000000       0.000000 68.06643       33.25493 ?        ?        32.78590 9.689269 ?              ?        
1 1 1 -18 11 46 o 25.62560 8.143303 38.90447       22.95929 55.23600       34.67794 26.15878       30.63526 29.30853 10.03855 22.91918 9.117296 6.389347       13.56088 
1 1 1 -18 11 47 o 21.41392 8.058152 23.94883       22.95683 47.71912       35.27707 6.488073       30.23478 27.49182 10.05489 19.33549 8.445634 8.156324       13.13124 
1 1 1 -18 11 48 o 14.70755 6.781023 -10.73124      22.66724 -34.79806      34.97403 6.700365       29.76494 15.94026 7.663042 19.26469 8.397849 -3.324425      11.36864 
1 1 1 -18 11 49 o 52.65144 5.154097 147.2962       26.22263 138.5435       40.03155 153.8747       34.70501 47.59389 8.920680 52.21373 6.963979 -4.619843      11.31705 
1 1 1 -18 11 50 o 53.39507 5.994457 155.7874       30.78936 62.51000       56.65569 194.8812       36.67829 29.70221 12.18650 59.33324 6.417471 -29.63104      13.77297 
1 1 1 -18 11 51 o 39.55859 7.829412 92.58157       29.24280 50.00000       55.07865 109.2963       34.50816 27.93986 11.78168 42.30254 8.626651 -14.36269      14.60229 
1 1 1 -18 11 52 o 15.39139 7.034340 -7.376876      23.67237 6.909078       35.59378 -18.70762      31.69923 20.24237 8.988866 16.37349 7.703328 3.868885       11.83811 
1 1 1 -18 11 53 f 25.04411 10.04741 37.68247       37.52397 37.68247       37.52397 0.000000       0.000000 25.04411 10.04741 ?        ?        ?              ?        
1 1 1 -18 11 54 o 49.86863 6.561635 141.2042       31.25281 200.1019       41.63580 65.19000       47.30041 58.32955 7.463177 29.35453 11.43424 28.97502       13.65434 
1 1 1 -18 11 55 o 21.89700 9.161638 24.07073       32.90246 65.69000       53.21136 -1.692000      41.86519 28.69276 11.79540 19.86145 9.178020 8.831312       14.94549 
1 1 1 -18 12 1  o 88.37206 4.195500 384.3684       36.18787 316.7000       50.97908 453.1000       51.37799 79.84517 6.581229 95.78342 5.503165 -15.93825      8.578893 
1 1 1 -18 12 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 12 3  o 172.2954 4.348643 1459.117       73.28016 1469.000       129.7487 1454.488       88.79881 172.0880 7.722432 171.8460 5.285402 0.2420044      9.357961 
1 1 1 -18 12 4  o 15.58275 6.307133 5.015619       14.92963 31.64628       25.25884 -9.283559      18.50879 25.86657 8.566506 14.13890 6.364933 11.72767       10.67227 
1 1 1 -18 12 5  o 49.92449 3.760626 123.0111       18.24213 74.59939       30.02154 151.3483       22.96870 38.06688 8.292308 55.34745 4.272731 -17.28058      9.328376 
1 1 1 -18 12 6  o 93.28420 3.160970 427.2216       28.82086 371.5398       43.73384 469.9678       38.31859 86.74607 5.174156 97.75455 4.013200 -11.00848      6.548104 
1 1 1 -18 12 7  o 96.90186 3.146929 460.9678       29.80910 428.9994       44.49883 486.9916       40.14883 93.27126 4.891195 99.49445 4.131558 -6.223190      6.402622 
1 1 1 -18 12 8  o 148.0237 4.880991 1078.884       70.62380 1051.000       98.81435 1108.000       100.9750 145.6429 6.951526 149.5577 6.916340 -3.914841      9.806094 
1 1 1 -18 12 9  o 51.95794 5.126212 134.1490       25.73154 0.000000       0.000000 134.1490       25.73154 ?        ?        51.95794 5.126212 ?              ?        
1 1 1 -18 12 10 o 162.1696 5.123845 1296.044       81.23186 0.000000       0.000000 1296.044       81.23186 ?        ?        162.1696 5.123845 ?              ?        
1 1 1 -18 12 11 o 158.3838 4.219643 1233.703       65.35901 1040.000       109.1402 1342.013       81.61120 144.5629 7.741198 165.0219 5.058423 -20.45897      9.247367 
1 1 1 -18 12 12 o 53.26324 4.252982 140.3359       21.98909 132.1000       47.88924 142.5362       24.75271 50.49669 10.04239 53.60964 4.766736 -3.112949      11.11626 
1 1 1 -18 12 13 o 28.85585 6.765155 42.86320       18.77409 45.20000       43.92459 42.34089       20.76654 31.81861 11.27229 28.67478 7.361614 3.143826       13.46320 
1 1 1 -18 12 14 o 39.37114 5.325319 77.80376       19.99678 45.10000       44.78231 85.94865       22.34859 31.89641 11.37340 41.35103 5.670712 -9.454617      12.70871 
1 1 1 -18 12 15 o 77.66306 3.723787 297.0536       28.22529 200.2000       53.89478 333.6574       33.13232 62.61873 9.055633 82.26274 4.127931 -19.64401      9.952100 
1 1 1 -18 12 16 o 77.04021 3.760329 292.4519       28.27064 227.4000       54.41301 316.5048       33.08689 66.91113 8.499573 80.08219 4.236052 -13.17107      9.496677 
1 1 1 -18 12 17 o 32.45556 6.569685 54.13170       20.15382 29.43000       43.08502 61.05050       22.80228 28.56117 10.96984 34.43303 7.004164 -5.871855      13.01521 
1 1 1 -18 12 18 o 92.28462 3.767634 419.6608       33.96176 282.7000       60.77307 481.8549       40.95317 74.58709 8.474229 98.80986 4.244190 -24.22277      9.477642 
1 1 1 -18 12 19 o 66.86286 4.106312 221.0904       26.74503 177.2000       52.51742 236.4590       31.07674 58.45425 9.504939 69.06271 4.623756 -10.60846      10.56991 
1 1 1 -18 12 20 o 14.94371 6.118003 4.027008       14.24027 13.17220       18.38607 -9.683455      22.51224 18.99635 7.197417 15.73140 7.055785 3.264945       10.07903 
1 1 1 -18 12 21 o 82.10658 3.170963 332.0361       25.43655 349.8703       36.25233 314.7417       35.69947 84.03895 4.422629 79.65684 4.598139 4.382111       6.379853 
1 1 1 -18 12 22 o 65.30244 3.281385 210.4180       20.90735 192.7619       28.29220 231.6599       31.03231 62.22857 4.679111 68.25124 4.673326 -6.022675      6.613173 
1 1 1 -18 12 23 o 36.96392 4.518545 68.63050       16.00920 72.80945       20.46424 62.03910       25.70104 37.81612 5.705978 34.35293 7.819486 3.463188       9.680008 
1 1 1 -18 12 24 o 139.0884 3.459272 953.9437       47.09578 935.6166       66.02322 972.9294       67.19933 137.1348 4.926621 139.8504 4.916672 -2.715607      6.960263 
1 1 1 -18 12 25 o 103.6943 3.704229 531.9097       37.53710 497.9612       44.21708 619.5000       71.02450 100.0626 4.526242 110.6762 6.585917 -10.61353      7.991319 
1 1 1 -18 12 26 o 59.17279 4.734770 175.3600       27.19513 175.3600       27.19513 0.000000       0.000000 59.17279 4.734770 ?        ?        ?              ?        
1 1 1 -18 12 27 o 66.39774 5.723234 223.0875       36.83374 215.1000       60.87822 227.7000       46.26218 63.03834 10.21555 66.45255 7.228623 -3.414211      12.51441 
1 1 1 -18 12 28 o 86.32239 4.626125 372.5667       38.94555 372.5667       38.94555 0.000000       0.000000 86.32239 4.626125 ?        ?        ?              ?        
1 1 1 -18 12 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 12 30 o 21.60831 7.122986 23.30348       17.46990 22.60359       19.82993 25.73000       36.92316 21.77119 7.584839 25.73799 10.08007 -3.966806      12.61497 
1 1 1 -18 12 31 o 42.40575 4.691957 91.06764       19.14995 110.7510       24.92043 62.68350       29.92568 46.51002 5.585604 33.77920 8.920279 12.73082       10.52475 
1 1 1 -18 12 32 o 11.57411 5.435702 -15.38774      15.66155 -17.72874      19.15842 -10.67187      27.19196 12.89568 6.042202 17.02624 7.685253 -4.130555      9.776058 
1 1 1 -18 12 33 o 32.44592 5.964864 55.21119       18.24592 62.56634       23.68558 44.47596       28.61500 34.10068 7.315280 28.66329 9.089050 5.437393       11.66723 
1 1 1 -18 12 34 o 22.51952 7.229699 26.30392       18.06081 22.16016       23.23173 32.63430       28.71436 22.08290 8.145706 25.54539 9.107408 -3.462484      12.21873 
1 1 1 -18 12 35 o 70.15383 3.827718 246.6531       26.18479 292.2106       37.68607 204.1316       36.40871 75.69638 5.116331 62.72714 6.003005 12.96924       7.887516 
1 1 1 -18 12 36 f 44.88233 5.008083 103.6543       21.62708 108.7334       30.24350 98.33901       30.93899 44.92933 7.113585 42.33481 7.751822 2.594521       10.52111 
1 1 1 -18 12 37 o 13.08670 6.062950 -12.95200      18.44379 -21.37771      24.28303 -1.463832      28.35468 14.33051 6.742187 18.36408 8.094924 -4.033573      10.53494 
1 1 1 -18 12 38 o 38.96590 5.814799 80.39188       21.50041 103.1314       30.48343 57.88137       30.32951 43.25521 7.469745 31.41890 9.244897 11.83631       11.88550 
1 1 1 -18 12 39 o 29.59023 8.083559 50.14650       24.07162 47.08329       29.69243 56.02000       41.11549 28.45492 9.281011 30.53488 10.89674 -2.079954      14.31349 
1 1 1 -18 12 40 o 20.88869 7.735820 21.12266       20.98898 27.89396       29.29242 13.97789       30.08941 23.74145 9.063458 21.12609 8.794200 2.615362       12.62871 
1 1 1 -18 12 41 o 17.49620 7.331777 6.995397       21.12162 12.63011       29.51949 1.084488       30.23431 20.70085 8.670674 19.00449 8.368779 1.696358       12.05060 
1 1 1 -18 12 42 o 17.60660 7.623910 3.205545       24.19386 0.1510464      28.80591 10.52000       44.57615 18.40077 8.132987 23.12941 10.17429 -4.728640      13.02542 
1 1 1 -18 12 43 o 41.18222 6.988874 94.44840       27.16629 120.5799       34.23853 50.04000       44.63398 45.90377 7.905314 28.76550 11.13430 17.13828       13.65528 
1 1 1 -18 12 44 o 25.38617 9.478107 36.37789       31.62973 0.000000       0.000000 36.37789       31.62973 ?        ?        25.38617 9.478107 ?              ?        
1 1 1 -18 12 45 o 12.84655 6.144097 -23.94514      21.84826 -22.82252      31.37650 -25.00182      30.44095 16.09748 7.601146 15.61095 7.405519 0.4865303      10.61222 
1 1 1 -18 12 46 o 24.98645 8.127662 36.89872       22.77921 48.57730       34.05913 27.44680       30.64069 27.74019 9.915646 23.11336 9.142560 4.626827       13.48727 
1 1 1 -18 12 47 o 46.34894 5.637649 115.8567       25.05123 163.2789       38.00963 79.43766       33.30942 53.38008 7.479560 35.33977 9.447473 18.04031       12.04984 
1 1 1 -18 12 48 o 20.78026 8.005397 21.61227       22.99357 1.641399       34.17014 38.13878       31.08414 19.43950 8.707858 25.25924 9.402826 -5.819738      12.81561 
1 1 1 -18 12 49 o 20.57832 7.953849 21.05371       22.75270 19.58123       33.75465 22.27986       30.80202 21.92897 9.233780 21.97742 8.997782 -0.4845428E-01 12.89274 
1 1 1 -18 12 50 o 16.64211 7.293177 2.156964       22.71049 11.77309       33.53448 -5.989735      30.86614 20.65467 8.959631 17.65690 8.055469 2.997770       12.04847 
1 1 1 -18 12 51 o 18.67124 8.075117 7.866288       27.07646 -5.268000      52.55878 12.61139       31.59111 21.76618 10.13538 20.34659 8.760524 1.419590       13.39674 
1 1 1 -18 12 52 o 22.41263 8.949368 26.05780       29.62681 121.4000       54.76396 -13.39192      35.22688 39.16282 12.59080 17.79261 8.289303 21.37021       15.07450 
1 1 1 -18 12 53 o 20.47116 8.501710 17.92008       28.02757 -8.318000      52.10145 28.60490       33.24814 21.18493 9.938240 23.06131 9.383457 -1.876377      13.66813 
1 1 1 -18 12 54 o 26.51019 9.769224 47.33931       33.40136 46.58000       52.98615 47.84000       43.02705 26.43091 11.36250 26.45559 10.70750 -0.2468491E-01 15.61272 
1 1 1 -18 12 55 o 41.79787 7.424869 104.6718       29.26443 116.8295       38.25507 87.52000       45.43798 41.68536 9.577169 33.02298 11.48284 8.662376       14.95252 
1 1 1 -18 13 1  o 60.39780 4.557483 180.3054       26.74460 141.9000       39.80874 211.9000       36.10682 52.94355 7.925108 65.33757 5.702824 -12.39402      9.763684 
1 1 1 -18 13 2  o 126.1669 4.570649 783.4426       56.35225 676.3000       76.73050 908.9000       83.02999 116.8144 6.739271 135.5820 6.273436 -18.76763      9.207268 
1 1 1 -18 13 3  o 94.26215 3.709582 436.7830       34.16015 395.4317       43.60249 502.5000       54.96746 89.51644 4.996073 100.8469 5.590355 -11.33051      7.497521 
1 1 1 -18 13 4  o 38.65562 4.440230 74.39067       16.49587 22.31988       26.37696 107.8377       21.14008 23.64801 8.687047 46.59857 4.698874 -22.95056      9.876447 
1 1 1 -18 13 5  o 66.42735 3.276953 216.9826       21.24128 168.2861       33.31723 250.3311       27.57134 58.12208 5.939696 71.28825 3.966886 -13.16617      7.142561 
1 1 1 -18 13 6  o 92.56353 3.779327 421.3476       34.17010 399.3693       44.01147 454.7000       54.21661 89.94595 5.018844 95.86022 5.805348 -5.914268      7.674037 
1 1 1 -18 13 7  o 108.4848 4.828951 580.1596       51.14912 455.3000       76.60633 680.6000       68.70808 95.36990 8.288528 117.2974 6.004274 -21.92754      10.23479 
1 1 1 -18 13 8  o 95.18199 3.368098 445.1080       31.33002 428.8000       55.38941 452.7803       37.99155 93.00429 6.118379 95.91711 4.055701 -2.912827      7.340522 
1 1 1 -18 13 9  o 99.31708 3.091454 484.3179       30.01675 453.6504       44.97499 508.9507       40.30769 95.89464 4.806816 101.6969 4.057386 -5.802299      6.290299 
1 1 1 -18 13 10 o 58.89310 3.581764 170.9098       20.54988 119.4000       34.96104 198.1011       25.40123 48.48751 7.617130 63.35692 4.118265 -14.86941      8.659144 
1 1 1 -18 13 11 o 221.9781 4.581492 2424.592       99.54588 2373.007       140.9884 2475.872       140.5708 218.8809 6.588156 223.6423 6.428147 -4.761444      9.204612 
1 1 1 -18 13 12 o 128.1187 4.511162 808.7448       56.48446 0.000000       0.000000 808.7448       56.48446 ?        ?        128.1187 4.511162 ?              ?        
1 1 1 -18 13 13 o 27.53401 6.790484 39.06527       18.18475 4.942000       42.72357 46.61506       20.09600 24.61735 10.37832 30.06567 6.965374 -5.448322      12.49904 
1 1 1 -18 13 14 o 67.34678 3.807945 223.6580       25.00004 142.1000       50.10234 250.6964       28.84797 52.24631 10.16303 71.26521 4.153534 -19.01889      10.97902 
1 1 1 -18 13 15 o 43.00028 4.929235 92.37724       20.37247 75.72000       44.64156 96.75880       22.89564 38.16330 11.21244 43.92642 5.441262 -5.763115      12.46299 
1 1 1 -18 13 16 o 31.46906 6.555617 50.96984       19.53672 31.22000       43.49683 55.96106       21.86648 28.94177 11.04551 32.93005 6.999776 -3.988285      13.07670 
1 1 1 -18 13 17 f 66.72813 3.938231 219.9365       25.60831 167.6000       51.65887 236.9877       29.48626 56.83390 9.629511 69.20280 4.375412 -12.36890      10.57694 
1 1 1 -18 13 18 o 72.12079 3.887581 256.8737       27.34249 237.0000       56.02971 263.0859       31.32575 68.07317 8.600455 72.89698 4.410853 -4.823814      9.665582 
1 1 1 -18 13 19 o 126.0033 4.637498 785.5563       57.09924 0.000000       0.000000 785.5563       57.09924 ?        ?        126.0033 4.637498 ?              ?        
1 1 1 -18 13 20 o 73.00543 3.238689 262.7004       23.08598 250.7781       32.89710 274.2690       32.40547 71.03396 4.758806 74.36462 4.472575 -3.330658      6.530709 
1 1 1 -18 13 21 o 37.91610 4.595621 72.15531       16.70815 95.02221       22.61851 44.69135       24.78803 43.39799 5.444092 29.27540 8.281311 14.12259       9.910513 
1 1 1 -18 13 22 o 115.2499 3.262280 654.6194       36.76468 666.9705       52.92320 643.1000       51.11040 115.9110 4.674197 113.8413 4.596181 2.069687       6.555380 
1 1 1 -18 13 23 o 87.31792 3.934908 377.5356       33.54493 439.0000       67.94964 357.7286       38.57302 92.78348 7.546990 84.79113 4.665563 7.992348       8.872684 
1 1 1 -18 13 24 o 125.1461 5.017487 780.9967       61.33782 738.9000       90.07257 817.4000       83.76051 120.2243 7.694489 127.0844 6.757797 -6.860077      10.24075 
1 1 1 -18 13 25 o 38.42804 5.074044 74.87437       18.61980 68.15368       21.51860 94.90000       37.14497 36.30272 6.283144 41.95316 9.290672 -5.650436      11.21581 
1 1 1 -18 13 26 o 106.3260 3.931571 561.0545       40.84728 636.8000       81.87899 535.9573       47.13105 111.2616 7.563285 103.6279 4.658391 7.633705       8.882786 
1 1 1 -18 13 27 o 37.38085 5.214145 71.24998       18.55980 54.88568       21.28808 123.1000       37.89328 32.24597 6.949639 48.13808 8.344309 -15.89211      10.85933 
1 1 1 -18 13 28 o 15.40452 6.523282 1.739465       17.00233 1.760000       19.48730 1.674000       34.79483 16.39428 6.964774 21.29438 9.181525 -4.900108      11.52426 
1 1 1 -18 13 29 o 60.64941 4.130410 183.8748       24.37399 175.5585       29.17326 203.1000       44.35630 58.92992 5.107975 62.37698 7.409412 -3.447052      8.999489 
1 1 1 -18 13 30 o 30.76403 6.472198 49.98856       18.87108 43.43969       21.71025 70.23000       38.16827 28.43205 7.638917 35.40998 10.35789 -6.977928      12.87008 
1 1 1 -18 13 31 o 36.37701 7.227441 70.54413       24.82741 70.54413       24.82741 0.000000       0.000000 36.37701 7.227441 ?        ?        ?              ?        
1 1 1 -18 13 32 o 74.12231 3.624440 273.7117       26.21666 292.3770       37.15170 255.1979       37.00067 76.00874 5.021682 70.81912 5.377890 5.189613       7.357920 
1 1 1 -18 13 33 o 34.83867 5.783458 63.33006       19.03094 72.90103       24.94470 50.00095       29.43749 36.88756 7.166954 30.09481 9.167815 6.792749       11.63675 
1 1 1 -18 13 34 o 69.92408 3.725502 244.6269       25.40665 280.2239       35.82139 208.5930       36.04047 74.24328 4.957638 63.53235 5.861526 10.71093       7.676957 
1 1 1 -18 13 35 o 54.55650 4.256828 150.5867       22.55224 161.9316       31.15577 138.0995       32.68664 55.83971 5.783834 51.02818 6.706329 4.811535       8.855935 
1 1 1 -18 13 36 o 33.61907 6.217271 60.49018       19.70594 81.55145       26.44891 34.21106       29.54410 38.62749 7.261787 25.58861 9.224227 13.03888       11.73967 
1 1 1 -18 13 37 o 17.45109 7.061605 9.378950       18.70985 24.88932       25.04744 -10.19998      28.14146 22.65284 8.438997 17.00958 7.733563 5.643263       11.44660 
1 1 1 -18 13 38 o 39.20319 5.709784 81.33092       21.26696 110.0024       30.45986 54.06041       29.70635 44.80084 7.189102 30.33974 9.202905 14.46111       11.67804 
1 1 1 -18 13 39 o 33.59042 6.728171 62.02108       21.34989 67.41328       30.03567 56.51418       30.35345 33.79107 8.942871 30.81786 9.292937 2.973213       12.89704 
1 1 1 -18 13 40 o 12.71178 6.119068 -28.93170      22.47217 -35.40237      27.04191 -14.49000      40.39914 13.76849 6.648834 19.63798 9.053712 -5.869493      11.23284 
1 1 1 -18 13 41 o 26.14742 8.441344 39.34001       24.59868 34.11385       29.69860 50.76000       43.90129 25.02748 9.213731 29.17737 11.10604 -4.149891      14.43042 
1 1 1 -18 13 42 o 20.42168 8.190669 16.85659       24.92949 9.206828       30.85096 31.25000       42.31813 20.26746 8.690794 25.60484 10.52173 -5.337372      13.64686 
1 1 1 -18 13 43 o 39.16959 9.065299 92.84618       34.06807 0.000000       0.000000 92.84618       34.06807 ?        ?        39.16959 9.065299 ?              ?        
1 1 1 -18 13 44 o 43.73695 5.835570 103.2444       24.35979 101.2315       34.92096 105.1523       33.99749 40.84671 8.979381 42.03710 8.553792 -1.190392      12.40148 
1 1 1 -18 13 45 o 55.91065 4.755270 163.5638       25.77742 221.9987       38.50286 116.0958       34.70221 63.76070 6.249450 44.24097 8.318855 19.51973       10.40476 
1 1 1 -18 13 46 o 34.35798 7.223570 68.14690       23.52107 88.45043       35.15336 51.68910       31.64951 37.17009 9.596340 28.46759 9.592340 8.702499       13.56845 
1 1 1 -18 13 47 o 39.94721 6.386025 88.60711       24.12972 112.7931       35.78448 68.44044       32.67611 43.03976 8.791583 32.59314 9.597327 10.44662       13.01540 
1 1 1 -18 13 48 o 23.16576 8.137925 30.90269       22.85638 49.30719       33.41879 14.72714       31.32984 27.73215 9.831523 20.77494 8.828609 6.957211       13.21375 
1 1 1 -18 13 49 o 16.27095 7.195684 0.1921128      22.57960 17.56806       33.02038 -15.06856      30.94530 21.47182 9.091618 16.62414 7.753031 4.847675       11.94851 
1 1 1 -18 13 50 o 39.17355 6.633775 86.58961       24.52976 86.99688       35.33951 86.21096       34.07565 36.50038 9.719101 36.60938 9.446311 -0.1090012     13.55337 
1 1 1 -18 13 51 o 34.27630 7.572850 69.69978       24.72919 79.16930       35.85506 61.10859       34.15180 34.24080 10.04552 30.13529 9.960279 4.105503       14.14636 
1 1 1 -18 13 52 o 34.75575 7.786521 72.62517       25.83116 35.90946       37.96904 104.2607       35.24448 24.78705 10.04892 40.50513 9.110832 -15.71808      13.56422 
1 1 1 -18 13 53 o 21.87451 9.113042 22.97587       32.34829 0.000000       0.000000 22.97587       32.34829 ?        ?        21.87451 9.113042 ?              ?        
1 1 1 -18 13 54 o 33.46322 10.46373 81.80154       38.05196 48.60000       52.48210 118.6000       55.25187 26.43340 11.33502 36.88865 12.67003 -10.45526      17.00036 
1 1 1 -18 14 1  o 115.0593 3.830566 650.8257       43.08092 593.6603       53.88494 752.1000       71.72166 109.7028 5.031548 123.3200 5.959341 -13.61720      7.799373 
1 1 1 -18 14 2  o 66.59673 4.953098 219.4772       32.05644 302.5000       62.39185 189.7000       37.36553 77.56994 8.348564 61.66779 6.277654 15.90215       10.44545 
1 1 1 -18 14 3  o 77.73348 4.636064 298.2468       35.11448 387.8000       67.41171 264.9000       41.13596 88.03857 7.906818 73.06046 5.799745 14.97811       9.805856 
1 1 1 -18 14 4  o 91.44849 3.700626 411.2696       33.05674 396.3349       43.02023 432.8000       51.65356 89.60210 4.924035 93.51833 5.669467 -3.916222      7.509259 
1 1 1 -18 14 5  o 21.29873 7.332701 20.48398       18.50969 -7.520155      25.51768 51.58000       26.88949 17.35642 7.663805 31.65230 8.500214 -14.29588      11.44498 
1 1 1 -18 14 6  o 189.5156 5.675814 1773.089       105.1695 0.000000       0.000000 1773.089       105.1695 ?        ?        189.5156 5.675814 ?              ?        
1 1 1 -18 14 7  o 57.52224 3.380901 162.9536       18.95201 117.0991       30.13472 192.9577       24.37625 48.23145 6.552373 62.53938 4.003072 -14.30793      7.678423 
1 1 1 -18 14 8  o 58.24598 3.330341 167.0480       18.90806 155.6713       30.54128 174.1185       24.07708 55.89127 5.660568 59.37033 4.169640 -3.479061      7.030500 
1 1 1 -18 14 9  o 55.87277 3.317271 153.7625       18.06043 116.4085       28.03287 180.2691       23.61435 48.16551 6.081304 60.43065 4.014970 -12.26514      7.287128 
1 1 1 -18 14 10 o 101.7142 3.054711 508.0910       30.37846 516.3493       45.91000 501.6589       40.51690 102.3167 4.595838 100.9265 4.109928 1.390182       6.165487 
1 1 1 -18 14 11 o 62.24615 3.238412 190.7094       19.66323 172.5866       29.66645 204.9093       26.26010 58.93173 5.196091 64.40939 4.187956 -5.477661      6.673705 
1 1 1 -18 14 12 o 52.35079 3.536467 135.2443       18.01536 136.5210       27.76495 134.3159       23.67594 52.29471 5.506723 52.00539 4.701807 0.2893181      7.240924 
1 1 1 -18 14 13 o 122.4065 3.236373 736.2997       38.74253 722.4101       56.71313 748.4532       53.05050 120.9505 4.799910 123.2005 4.406267 -2.249977      6.515698 
1 1 1 -18 14 14 o 60.21920 3.983894 179.2160       23.35074 144.4000       51.88763 188.0576       26.14818 52.49157 10.46611 61.63494 4.362381 -9.143379      11.33887 
1 1 1 -18 14 15 o 16.16501 6.720130 3.222651       17.53681 -26.46000      44.29789 8.739204       19.09702 21.11482 9.639648 18.09581 7.198473 3.019005       12.03083 
1 1 1 -18 14 16 o 108.0968 3.729231 575.6756       39.39922 454.2000       72.20335 627.1820       47.01578 94.89456 7.843362 112.7209 4.268924 -17.82635      8.929840 
1 1 1 -18 14 17 o 77.81808 3.836426 298.9446       29.13216 228.0000       60.29357 320.5511       33.27392 66.37663 9.554948 80.51318 4.237036 -14.13654      10.45225 
1 1 1 -18 14 18 o 93.38663 3.755808 430.2794       34.26159 334.2000       65.32374 466.7396       40.24066 80.95061 8.364459 97.16322 4.241354 -16.21262      9.378340 
1 1 1 -18 14 19 f 43.60204 5.252385 95.63720       21.96561 40.39000       46.75183 111.2874       24.88304 30.85689 11.52269 47.02050 5.510867 -16.16361      12.77271 
1 1 1 -18 14 20 o 19.76184 7.526245 14.24143       20.16806 25.18000       47.54757 11.84163       22.27077 28.36770 11.33401 19.79000 7.804913 8.577694       13.76141 
1 1 1 -18 14 21 o 19.71146 6.637685 18.38605       15.15489 14.77196       20.83917 22.44298       22.07904 20.06485 7.648328 22.42581 7.987087 -2.360956      11.05850 
1 1 1 -18 14 22 o 53.38483 3.745637 141.3980       19.44845 181.5068       27.88631 103.4143       27.13750 60.28456 4.764549 44.98983 6.337802 15.29473       7.928977 
1 1 1 -18 14 23 o 36.45916 5.453355 67.76071       18.86459 59.12023       22.25741 89.80000       35.54712 33.61114 6.993236 40.94693 9.104623 -7.335789      11.48040 
1 1 1 -18 14 24 o 60.12910 4.022575 179.8952       23.53910 177.4388       28.15449 185.6000       42.90569 59.48731 4.878037 59.91760 7.478011 -0.4302902     8.928376 
1 1 1 -18 14 25 o 24.44835 6.513937 31.33393       15.86827 42.26269       20.90039 16.46084       24.38202 28.23802 7.453711 21.28190 8.231579 6.956120       11.10480 
1 1 1 -18 14 26 o 89.33278 4.035542 396.8875       35.19622 356.6000       70.52825 410.2479       40.61506 82.18199 8.909966 90.61512 4.594091 -8.433128      10.02463 
1 1 1 -18 14 27 o 99.76398 3.569756 493.4825       34.80310 420.4000       52.58870 550.4348       46.42382 91.02902 5.934450 104.9627 4.529215 -13.93368      7.465352 
1 1 1 -18 14 28 o 139.7943 4.204368 974.0355       57.46487 926.0551       70.02290 1073.000       100.5651 135.5950 5.285948 144.3117 7.141525 -8.716675      8.884967 
1 1 1 -18 14 29 o 48.17355 4.705463 117.2402       21.90538 87.95860       25.41283 201.9000       43.21097 41.04002 6.545895 62.19334 7.232913 -21.15332      9.755192 
1 1 1 -18 14 30 o 32.66553 6.270216 56.07644       19.31955 53.55790       22.44416 63.28000       37.95797 31.56759 7.394180 33.69452 10.43739 -2.126930      12.79113 
1 1 1 -18 14 31 o 75.96133 4.056929 288.6559       30.05509 271.9235       36.43280 324.3000       53.17493 73.25471 5.113120 78.92524 6.954163 -5.670525      8.631592 
1 1 1 -18 14 32 o 65.56763 4.310339 216.1264       27.51008 218.9924       33.24398 209.9000       48.99959 65.60291 5.220083 62.52758 8.203671 3.075333       9.723655 
1 1 1 -18 14 33 o 94.68675 4.017107 449.2608       37.14676 456.5638       45.95863 435.5000       63.08694 94.87505 4.966194 90.97660 7.141617 3.898445       8.698607 
1 1 1 -18 14 34 o 51.54018 4.271914 134.4224       21.35793 139.7977       29.03769 128.0868       31.52470 51.86081 5.820611 49.14524 6.729939 2.715576       8.897841 
1 1 1 -18 14 35 o 53.39228 4.218748 144.4524       21.86890 131.3399       29.88244 159.5738       32.09003 49.89533 6.255699 55.18432 6.039356 -5.288990      8.695263 
1 1 1 -18 14 36 o 21.87731 7.356234 25.09860       18.61390 7.165460       24.79595 48.25179       28.17461 18.76114 7.907799 28.96488 8.995562 -10.20374      11.97720 
1 1 1 -18 14 37 o 19.33963 7.365647 16.24174       19.31687 14.20999       26.48553 18.55070       28.23466 20.50642 8.363315 21.74989 8.719012 -1.243465      12.08165 
1 1 1 -18 14 38 o 26.28648 7.479688 38.89566       20.16157 59.60862       28.29881 17.54428       28.73163 31.86944 8.788072 21.55168 8.739936 10.31776       12.39422 
1 1 1 -18 14 39 o 26.73298 7.531032 40.50821       20.54342 50.95960       28.48551 29.18077       29.65534 29.36413 9.032338 24.02789 9.132190 5.336241       12.84445 
1 1 1 -18 14 40 o 26.96173 8.306432 42.00545       24.07934 45.95456       29.14891 33.52000       42.72776 27.93584 9.200483 26.23235 10.65082 1.703489       14.07440 
1 1 1 -18 14 41 o 21.22251 8.649622 17.53811       28.30728 17.53811       28.30728 0.000000       0.000000 21.22251 8.649622 ?        ?        ?              ?        
1 1 1 -18 14 42 o 20.07491 8.697412 7.514584       31.52115 0.000000       0.000000 7.514584       31.52115 ?        ?        20.07491 8.697412 ?              ?        
1 1 1 -18 14 43 o 54.79907 4.861108 156.7977       25.80418 170.2147       36.27956 143.0608       36.70947 55.50806 6.820492 50.05366 7.742336 5.454399       10.31808 
1 1 1 -18 14 44 o 19.38231 7.678685 16.20209       21.64531 1.044324       30.16662 32.28732       31.07582 18.59793 8.265987 24.22279 9.313094 -5.624855      12.45232 
1 1 1 -18 14 45 o 25.78123 7.824066 39.37007       21.46794 38.00133       30.72120 40.67633       30.01172 25.32249 9.362426 25.91906 9.302771 -0.5965691     13.19835 
1 1 1 -18 14 46 o 24.89115 7.916532 36.63425       21.69458 36.23932       31.22841 37.00263       30.16097 24.91635 9.393570 25.03714 9.273070 -0.1207867     13.19958 
1 1 1 -18 14 47 o 33.56865 7.207492 65.32539       22.97455 82.39153       32.76145 48.81155       32.22697 36.05002 9.241875 27.64363 9.666737 8.406384       13.37378 
1 1 1 -18 14 48 o 22.34360 8.077752 28.07480       22.67655 20.95832       32.51421 34.81481       31.64252 21.95617 9.140868 24.49102 9.402397 -2.534847      13.11337 
1 1 1 -18 14 49 o 18.90116 7.717344 14.02228       22.58316 26.83794       32.47652 2.023614       31.42428 22.96638 9.299924 18.81432 8.394626 4.152063       12.52830 
1 1 1 -18 14 50 o 23.48528 8.270056 32.49756       23.61472 78.60719       33.83760 -11.28253      32.97176 34.57273 9.638790 17.48552 8.102814 17.08721       12.59213 
1 1 1 -18 14 51 o 14.55120 6.932847 -23.94641      27.26482 -12.72689      32.92865 -48.41000      48.62357 17.29073 8.041603 17.89361 8.705028 -0.6028786     11.85094 
1 1 1 -18 14 52 o 33.24295 8.519129 69.53719       27.84472 38.73000       47.77826 85.38245       34.26525 25.59761 10.89120 35.85894 9.580179 -10.26133      14.50511 
1 1 1 -18 14 53 o 17.79729 7.627371 8.697152       23.73872 16.56267       35.27894 2.189176       32.09038 21.12943 9.177468 18.61020 8.379086 2.519232       12.42719 
1 1 1 -18 14 54 o 25.86734 8.385277 42.91658       24.25780 50.82884       35.36443 35.88565       33.33673 26.94001 10.02917 23.99611 9.522092 2.943905       13.82948 
1 1 1 -18 15 1  o 190.9950 4.105804 1793.047       76.75851 1705.728       108.1802 1881.580       108.9296 185.7528 5.957555 195.1814 5.707790 -9.428619      8.250534 
1 1 1 -18 15 2  o 102.5719 3.720454 517.4138       37.29154 478.1612       47.12136 583.2000       61.00296 98.41987 4.906825 108.5510 5.761948 -10.13113      7.568155 
1 1 1 -18 15 3  o 79.01707 3.779073 307.3969       29.14417 269.1953       37.66443 364.4000       46.00875 73.71866 5.254169 85.77951 5.508742 -12.06085      7.612656 
1 1 1 -18 15 4  o 43.44457 6.432609 95.32068       26.52903 54.86000       56.05290 107.0000       30.11551 35.29000 12.70760 45.98217 6.904094 -10.69217      14.46201 
1 1 1 -18 15 5  o 70.55259 3.932256 245.3646       27.04826 236.3824       36.07325 256.9000       40.88017 69.02776 5.381437 71.89165 5.860145 -2.863899      7.956203 
1 1 1 -18 15 6  o 45.16670 5.038056 101.7494       21.89466 79.51116       29.00611 131.2000       33.38000 39.31802 7.812261 51.01232 6.858680 -11.69430      10.39581 
1 1 1 -18 15 7  o 103.4763 3.704942 526.7049       37.46510 521.8723       47.68458 534.5000       60.56183 102.8320 4.750272 103.8199 5.984897 -0.9879379     7.640947 
1 1 1 -18 15 8  o 99.39151 3.357695 485.5926       32.61916 446.2000       56.60828 505.1741       39.91133 94.77917 6.134797 101.2812 4.033953 -6.502029      7.342241 
1 1 1 -18 15 9  o 88.52773 3.075372 385.1041       26.60867 350.6592       40.11530 412.1649       35.55649 84.20717 4.887937 91.46781 3.980940 -7.260643      6.303951 
1 1 1 -18 15 10 o 112.7988 3.163311 625.1444       34.89181 582.0021       50.84436 663.5466       47.96995 108.5559 4.796855 116.0386 4.230466 -7.482620      6.395832 
1 1 1 -18 15 11 o 137.1510 3.379204 924.0753       45.36487 931.7964       67.16715 917.5987       61.51593 137.3268 5.005214 136.3721 4.615112 0.9546967      6.808188 
1 1 1 -18 15 12 f 36.13119 4.505621 65.31506       15.58936 56.25432       24.32204 71.63300       20.30981 32.92625 7.686982 37.63884 5.690129 -4.712597      9.563852 
1 1 1 -18 15 13 o 39.83640 4.254138 79.05161       16.33171 62.84246       25.50740 90.31328       21.26118 34.80392 7.692368 42.43510 5.229127 -7.631180      9.301414 
1 1 1 -18 15 14 o 94.94627 3.097234 443.3033       28.74595 404.4892       42.04485 477.3716       39.39065 90.39058 4.768950 98.35810 4.100439 -7.967522      6.289394 
1 1 1 -18 15 15 o 154.2617 5.010854 1178.046       75.56134 0.000000       0.000000 1178.046       75.56134 ?        ?        154.2617 5.010854 ?              ?        
1 1 1 -18 15 16 o 10.20679 5.003038 -33.31965      16.96126 -13.89000      46.60757 -36.28561      18.20988 23.03028 10.25290 10.52380 5.163647 12.50648       11.47977 
1 1 1 -18 15 17 o 64.15649 4.134334 203.9361       25.82463 77.38000       55.05474 239.6373       29.24117 38.61540 12.64045 69.53013 4.317813 -30.91473      13.35756 
1 1 1 -18 15 18 o 85.89040 3.749073 364.3788       31.44325 306.8000       63.06026 383.4312       36.27428 77.32936 8.469541 88.00456 4.223348 -10.67520      9.464131 
1 1 1 -18 15 19 o 48.44701 4.801666 117.4512       22.47086 77.81000       52.69477 126.2620       24.84289 38.35208 12.35255 50.17250 5.130765 -11.82042      13.37573 
1 1 1 -18 15 20 o 19.23856 7.485795 12.24976       20.25616 53.40000       50.95033 4.524545       22.07579 33.51439 12.10919 18.06898 7.528010 15.44541       14.25845 
1 1 1 -18 15 21 f 62.41708 4.303380 193.8433       26.13082 179.4000       54.99326 198.0553       29.69759 57.99456 10.05167 62.95538 4.856802 -4.960827      11.16353 
1 1 1 -18 15 22 o 48.33721 4.726223 117.2078       22.07616 132.1528       27.36785 89.37000       37.35166 51.12682 5.558063 40.69304 9.543635 10.43378       11.04414 
1 1 1 -18 15 23 o 59.67273 4.174673 177.4434       24.23017 196.3366       30.15199 143.0000       40.71143 62.55933 4.964683 52.16642 8.246748 10.39291       9.625847 
1 1 1 -18 15 24 o 82.11072 3.276823 333.4275       26.28367 300.9612       36.85875 367.0167       37.49075 77.51006 4.883026 85.77404 4.480956 -8.263977      6.627436 
1 1 1 -18 15 25 o 139.1744 3.951643 961.7056       53.77785 945.8000       89.47522 970.7009       67.28778 136.1845 6.733139 139.2646 4.944005 -3.080048      8.353343 
1 1 1 -18 15 26 o 111.9457 4.645658 626.6701       50.79442 0.000000       0.000000 626.6701       50.79442 ?        ?        111.9457 4.645658 ?              ?        
1 1 1 -18 15 27 o 39.56656 4.781498 79.40966       18.14306 58.61982       23.94722 107.4221       27.79745 33.07871 7.561402 45.53845 6.413643 -12.45974      9.915120 
1 1 1 -18 15 28 o 77.07767 3.368172 294.7680       25.35008 257.2133       34.79688 337.2422       37.00586 71.39654 5.010990 81.96896 4.631109 -10.57243      6.823283 
1 1 1 -18 15 29 o 66.15923 3.583130 217.8333       23.11721 156.5733       30.59082 299.3934       35.29731 55.31256 5.733207 77.15616 4.695980 -21.84360      7.410931 
1 1 1 -18 15 30 o 62.40497 4.298606 195.5848       26.09707 184.1359       31.77807 219.3000       45.73626 60.07318 5.464042 64.57790 7.367159 -4.504715      9.172283 
1 1 1 -18 15 31 o 46.29953 5.303771 109.8237       23.60295 118.6639       28.84745 91.92000       41.05322 47.71521 6.332737 40.00143 10.39229 7.713776       12.16977 
1 1 1 -18 15 32 o 59.59903 4.547498 179.6285       26.32851 175.3035       31.77617 189.1000       47.02374 58.37896 5.630600 59.01596 8.375260 -0.6369972     10.09201 
1 1 1 -18 15 33 o 22.41149 7.574845 25.72047       19.73632 17.04986       22.52483 54.38000       40.95162 20.53028 7.919611 31.11171 10.89571 -10.58144      13.46985 
1 1 1 -18 15 34 o 65.10081 4.396342 214.8522       27.85029 208.8957       32.99860 229.6000       51.92377 63.66823 5.344285 64.49617 8.426106 -0.8279419     9.978008 
1 1 1 -18 15 35 o 18.00822 7.275655 10.20529       19.82645 5.792149       22.45408 25.82000       42.23651 17.83548 7.521779 25.54557 10.50599 -7.710091      12.92103 
1 1 1 -18 15 36 o 25.95766 7.217332 37.45807       18.99970 40.81266       25.36182 33.16740       28.68289 26.86486 8.561262 25.05339 9.080969 1.811468       12.48035 
1 1 1 -18 15 37 o 19.12965 7.271611 16.05582       18.80416 -17.62271      24.98000 60.09587       28.56537 14.93956 6.966857 32.00684 8.830691 -17.06728      11.24803 
1 1 1 -18 15 38 o 28.41978 7.146215 45.34305       19.85633 35.49757       26.66986 57.58821       29.74299 25.27852 8.796871 31.09452 9.156567 -5.815998      12.69755 
1 1 1 -18 15 39 o 40.31957 6.328132 88.04255       24.15308 90.01756       29.51657 84.04000       42.01942 39.79463 7.856625 36.13828 10.94178 3.656353       13.47030 
1 1 1 -18 15 40 o 20.39035 7.932883 18.41104       22.74557 5.205765       26.81006 52.33000       42.96801 18.68163 8.057256 29.34261 11.02806 -10.66098      13.65787 
1 1 1 -18 15 41 f 30.15264 7.918343 53.01320       23.66554 43.10000       35.34206 61.07116       31.86379 27.12597 10.03959 31.43711 9.530285 -4.311140      13.84267 
1 1 1 -18 15 42 o 33.12958 8.550789 65.75608       27.91582 80.62132       33.72911 33.43000       49.73883 36.06929 9.444060 26.42660 11.17245 9.642691       14.62922 
1 1 1 -18 15 43 o 21.54648 7.919380 24.44889       21.92595 37.83869       30.12254 9.360254       31.97639 25.45426 9.294193 20.28389 8.773994 5.170368       12.78143 
1 1 1 -18 15 44 o 21.47124 7.823965 24.75779       21.33056 61.80360       30.52164 -10.61012      29.82243 31.25691 9.293972 16.93712 7.797785 14.31979       12.13192 
1 1 1 -18 15 45 o 31.60473 7.275606 58.12551       22.04123 96.24846       31.89547 23.27968       30.49377 39.93694 8.424648 22.18966 9.002022 17.74727       12.32928 
1 1 1 -18 15 46 o 22.30574 7.916363 27.87869       21.67222 73.69482       30.74623 -17.36330      30.55298 34.29348 9.034973 16.32746 7.643744 17.96602       11.83459 
1 1 1 -18 15 47 o 13.36028 6.427952 -28.29091      24.72431 -9.861594      31.03972 -60.28000      40.89444 17.24866 7.946323 15.60415 7.672732 1.644513       11.04603 
1 1 1 -18 15 48 o 15.98687 7.093744 -0.5848557     22.12522 -27.53457      31.06388 27.16329       31.52068 15.39301 7.352212 22.92574 9.204843 -7.532735      11.78067 
1 1 1 -18 15 49 o 43.65811 5.926129 104.6210       24.67135 98.32296       35.41513 110.5592       34.38862 39.26131 9.350024 42.56484 8.550989 -3.303528      12.67053 
1 1 1 -18 15 50 o 35.89924 8.367524 79.30317       28.85719 86.39209       34.86739 63.89000       51.41329 36.21455 9.658944 29.50576 11.78674 6.708782       15.23884 
1 1 1 -18 15 51 o 44.10865 6.723523 110.6884       28.11211 142.3000       47.82580 94.00027       34.74901 45.16417 10.93617 38.05517 9.387757 7.108997       14.41284 
1 1 1 -18 15 52 f 27.30543 8.331719 47.08014       24.29983 47.75779       35.35826 46.47362       33.45127 26.65939 10.00727 26.44571 9.771035 0.2136841      13.98637 
1 1 1 -18 15 53 o 29.95704 8.098748 56.69041       24.31128 71.34229       34.93036 42.92480       33.85743 31.63451 10.04337 25.39815 9.732168 6.236368       13.98515 
1 1 1 -18 16 1  o 80.26573 2.995496 316.5680       23.49322 321.8803       38.27376 313.3564       29.75914 80.67648 4.869390 79.75713 3.823059 0.9193420      6.190859 
1 1 1 -18 16 2  o 54.22521 4.330663 145.5978       22.79504 148.2496       31.54533 142.7000       32.97636 54.42962 6.021556 53.30138 6.451751 1.128239       8.825204 
1 1 1 -18 16 3  o 111.2015 3.639377 608.1958       39.56021 522.7000       77.80132 638.0088       45.94280 102.1419 7.841718 113.8173 4.130702 -11.67542      8.863140 
1 1 1 -18 16 4  o 56.51422 5.652921 159.3220       30.85142 104.8000       57.65249 181.2000       36.52043 44.59019 12.63499 60.17789 6.292938 -15.58770      14.11539 
1 1 1 -18 16 5  o 29.05130 6.839020 43.54284       19.12283 46.66047       26.13424 39.95000       28.05539 30.13369 8.496013 28.40131 8.998971 1.732372       12.37593 
1 1 1 -18 16 6  o 27.44703 6.894155 38.85912       18.49465 28.60750       24.74662 51.83000       27.83584 24.84579 8.480901 31.67129 8.709002 -6.825508      12.15617 
1 1 1 -18 16 7  o 11.83697 5.602295 -20.22780      17.22951 -31.84375      22.62531 -4.193000      26.58270 12.96442 6.214345 18.24392 7.944806 -5.279493      10.08653 
1 1 1 -18 16 8  o 161.6776 5.173215 1291.982       81.76308 1345.000       118.6254 1244.000       112.8515 164.1292 7.402953 157.8679 7.323050 6.261261       10.41301 
1 1 1 -18 16 9  o 91.49515 3.101840 411.5342       27.73929 362.2765       40.91401 453.4388       37.73687 85.54440 4.906820 95.90295 4.028990 -10.35856      6.348987 
1 1 1 -18 16 10 f 156.7402 3.614283 1208.014       55.45094 1168.437       79.48086 1245.546       77.39951 153.6527 5.292550 158.7454 4.987352 -5.092682      7.272192 
1 1 1 -18 16 11 o 23.72760 6.013413 28.99746       13.98174 46.25923       23.87385 19.98613       17.24941 29.87186 8.003801 20.79380 7.080967 9.078060       10.68648 
1 1 1 -18 16 12 o 104.8634 3.108298 540.6974       31.86936 544.9305       48.26133 537.4242       42.43826 104.9580 4.709611 104.3524 4.163142 0.6056137      6.285872 
1 1 1 -18 16 13 o 56.18676 3.449333 155.8531       18.87892 167.7093       29.83104 147.9321       24.38302 57.96057 5.317302 54.54636 4.609957 3.414211       7.037429 
1 1 1 -18 16 14 o 110.6729 3.509594 603.3643       37.97126 617.0000       67.17892 596.9628       46.02932 111.1630 6.198548 109.9088 4.286764 1.254196       7.536468 
1 1 1 -18 16 15 o 36.99959 4.501274 68.61283       15.96688 59.63605       24.12557 75.60928       21.29884 33.82657 7.484770 38.58448 5.820350 -4.757908      9.481469 
1 1 1 -18 16 16 o 88.25494 3.162779 383.6428       27.27793 363.5534       40.93459 399.6893       36.58453 85.52435 4.910480 89.87527 4.170004 -4.350914      6.442184 
1 1 1 -18 16 17 o 69.26957 3.880167 237.4930       26.20353 202.0000       58.22074 246.5090       29.34351 61.94144 9.938656 70.49338 4.272692 -8.551941      10.81817 
1 1 1 -18 16 18 o 59.30553 4.222231 174.7885       24.34970 121.3000       56.03036 187.2424       27.03621 46.93206 12.11461 61.32196 4.536382 -14.38990      12.93610 
1 1 1 -18 16 19 o 100.2248 3.752634 496.6541       36.74936 451.8000       73.09724 511.8259       42.51262 93.89044 8.030817 101.5907 4.284834 -7.700256      9.102407 
1 1 1 -18 16 20 o 59.31291 4.412642 175.3470       25.43499 158.8000       57.49690 179.3730       28.36093 53.88769 11.26381 59.87405 4.881548 -5.986362      12.27611 
1 1 1 -18 16 21 o 100.3156 4.883782 502.1758       47.81060 449.1000       74.46547 539.4000       62.36200 93.20379 8.247378 103.3805 6.191123 -10.17671      10.31258 
1 1 1 -18 16 22 o 57.28344 5.454059 165.7570       30.21263 0.000000       0.000000 165.7570       30.21263 ?        ?        57.28344 5.454059 ?              ?        
1 1 1 -18 16 23 o 69.62512 4.120679 241.4462       27.95725 291.2000       60.37754 227.8673       31.54245 74.55524 8.420720 67.41865 4.811420 7.136589       9.698365 
1 1 1 -18 16 24 o 125.3694 4.721003 785.5429       57.83029 0.000000       0.000000 785.5429       57.83029 ?        ?        125.3694 4.721003 ?              ?        
1 1 1 -18 16 25 o 81.61743 3.592291 330.6017       28.62830 295.5000       45.22322 354.0756       36.98194 76.15057 6.118568 84.14056 4.506772 -7.989983      7.599202 
1 1 1 -18 16 26 o 105.3075 3.945637 551.9487       40.59886 584.7000       82.45266 541.4669       46.64527 105.6925 8.030020 103.9940 4.593737 1.698524       9.251143 
1 1 1 -18 16 27 o 38.09125 5.167701 74.21868       18.77118 49.69613       25.66314 102.4342       27.52776 30.25879 8.378462 44.35014 6.536978 -14.09135      10.62689 
1 1 1 -18 16 28 o 53.09294 4.046534 141.2051       20.87094 150.6238       29.83160 132.1747       29.21016 54.24997 5.703047 50.66319 6.007031 3.586781       8.283065 
1 1 1 -18 16 29 o 25.05733 6.961837 33.49624       17.68548 55.11201       24.26461 8.999793       25.83090 31.83445 7.839694 19.83232 8.192183 12.00213       11.33899 
1 1 1 -18 16 30 o 43.52517 4.791702 96.40225       20.07705 66.43839       26.92338 133.9374       30.13351 34.84781 8.054488 50.79861 6.187782 -15.95080      10.15694 
1 1 1 -18 16 31 o 19.51101 7.462665 15.20231       19.88359 -1.684954      23.39986 59.07000       37.71430 16.99304 7.426045 32.30461 10.45417 -15.31157      12.82326 
1 1 1 -18 16 32 o 60.43857 4.568357 185.1972       26.82581 188.9655       32.60382 177.3000       47.19873 60.55642 5.562596 56.61007 8.803898 3.946342       10.41399 
1 1 1 -18 16 33 o 16.79176 7.127012 3.518752       20.37341 8.139066       23.70727 -9.531000      39.84254 18.77635 7.810229 20.51880 9.278337 -1.742449      12.12795 
1 1 1 -18 16 34 o 59.40619 4.724644 180.5543       27.24690 157.5203       32.10203 239.9000       51.52793 54.68158 6.101555 65.89736 8.162958 -11.21578      10.19131 
1 1 1 -18 16 35 o 23.96316 7.969795 31.17852       21.85670 41.98619       25.42818 0.6060000      42.76760 27.19502 8.560880 22.06299 9.821916 5.132034       13.02915 
1 1 1 -18 16 36 o 26.96064 8.111770 41.31264       23.14639 32.39286       27.26819 64.31000       43.78428 24.64721 8.864762 32.19595 11.26691 -7.548740      14.33622 
1 1 1 -18 16 37 f 12.46199 6.056519 -35.35095      23.37755 -35.35095      23.37755 0.000000       0.000000 12.46199 6.056519 ?        ?        ?              ?        
1 1 1 -18 16 38 f 28.68620 7.813676 47.27352       22.52949 48.22889       27.94644 45.50000       38.07659 28.58163 8.971657 28.02534 10.41174 0.5562935      13.74391 
1 1 1 -18 16 39 o 66.88248 4.614916 230.4604       30.02698 245.5668       36.62704 199.5000       52.43559 68.32371 5.523827 57.73010 9.617543 10.59361       11.09098 
1 1 1 -18 16 40 f 15.58621 6.896582 -1.872451      20.76863 -1.924000      29.59338 -1.822420      29.15411 18.25091 8.144611 18.14774 8.092221 0.1031628      11.48123 
1 1 1 -18 16 41 o 15.82076 6.919329 0.4884945      20.35129 14.14447       28.23035 -14.28762      29.36534 20.43430 8.513167 16.52798 7.654824 3.906322       11.44860 
1 1 1 -18 16 42 o 15.86302 6.956385 0.3370866      20.69228 2.940911       28.57573 -2.533343      30.00302 18.55529 8.154716 18.12830 8.137010 0.4269886      11.52000 
1 1 1 -18 16 43 o 23.54736 8.192401 31.84830       23.12985 7.320000       34.16008 52.61416       31.43114 20.30697 8.920553 28.80113 9.556634 -8.494154      13.07308 
1 1 1 -18 16 44 o 18.96787 7.483550 15.82277       20.48159 22.14372       28.50134 9.072772       29.45279 21.70805 8.740003 19.53367 8.434989 2.174374       12.14647 
1 1 1 -18 16 45 o 22.23656 7.817911 27.77926       21.09713 21.51825       29.57745 34.26395       30.10115 21.73573 8.848003 24.39965 9.217226 -2.663921      12.77671 
1 1 1 -18 16 46 f 21.66694 7.857332 25.90843       21.47725 38.29858       30.43447 13.61722       30.31273 25.19286 9.317885 20.35977 8.669275 4.833086       12.72711 
1 1 1 -18 16 47 o 29.58041 7.777291 52.56223       22.81237 64.53586       32.72499 41.24363       31.81727 31.30439 9.690290 25.81890 9.531193 5.485497       13.59211 
1 1 1 -18 16 48 o 19.92167 7.844356 18.74964       22.46467 24.78380       31.95563 12.85379       31.58726 22.49029 9.181141 20.40928 8.773414 2.081003       12.69906 
1 1 1 -18 16 49 o 32.75854 8.632022 67.29836       28.06186 64.90156       33.75630 72.66000       50.48793 31.06863 9.874262 30.95816 11.87889 0.1104641      15.44697 
1 1 1 -18 16 50 o 22.27524 8.177028 28.21454       23.36411 23.12590       33.83716 32.85136       32.30009 22.29611 9.306978 23.91234 9.409030 -1.616226      13.23441 
1 1 1 -18 16 51 o 46.69613 5.747017 119.9041       25.71469 118.2714       37.01501 121.4270       35.75010 43.08567 9.064485 44.23823 8.565621 -1.152561      12.47136 
1 1 1 -18 16 52 o 32.72285 7.742493 65.61356       24.40972 72.15180       35.23227 59.57818       33.85030 31.92694 10.08053 29.16459 9.919634 2.762352       14.14271 
1 1 1 -18 16 53 o 16.79208 7.356221 4.535263       23.08607 20.98072       32.84706 -11.51873      32.45376 21.29287 9.043941 16.94825 7.915923 4.344624       12.01893 
1 1 1 -18 17 1  o 63.69558 4.502712 200.9003       27.89213 269.5000       57.93205 180.2000       31.82338 72.93611 8.259878 60.13534 5.466092 12.80077       9.904734 
1 1 1 -18 17 2  o 83.98573 3.546915 347.2985       29.09267 321.4337       38.98640 379.8000       43.70285 80.55501 4.968588 87.55743 5.121664 -7.002419      7.135706 
1 1 1 -18 17 3  o 90.05477 3.044385 398.6187       26.79709 341.8058       41.05107 440.8027       35.37325 83.05392 5.073825 94.59032 3.828427 -11.53641      6.356143 
1 1 1 -18 17 4  o 107.0900 3.131069 563.6593       32.78545 488.6478       47.88606 629.8467       44.98138 99.38229 4.938059 113.0464 4.071738 -13.66409      6.400272 
1 1 1 -18 17 5  o 130.0102 3.946305 832.5452       50.16156 772.3600       61.41945 953.1000       86.92673 124.9672 5.031442 138.3982 6.434383 -13.43102      8.168029 
1 1 1 -18 17 6  o 39.19817 5.403051 77.37214       20.17973 46.09612       26.83165 118.1000       30.61875 29.94622 8.662894 48.30835 6.651670 -18.36213      10.92202 
1 1 1 -18 17 7  o 132.1087 3.934563 859.8035       50.82178 824.9476       62.87455 925.5000       86.31937 129.1441 4.983219 136.3095 6.488205 -7.165390      8.181031 
1 1 1 -18 17 8  o 62.29123 4.017929 191.8463       24.36760 189.8628       31.29625 194.9000       38.83238 61.75094 5.226815 62.29507 6.462221 -0.5441322     8.311432 
1 1 1 -18 17 9  o 115.6316 3.799201 658.8123       42.94226 621.3591       52.96010 730.7000       73.37230 112.0568 4.839823 121.1166 6.209756 -9.059731      7.873053 
1 1 1 -18 17 10 o 148.4546 4.156975 1087.166       60.34615 1046.390       74.01801 1168.000       104.2153 145.3143 5.212272 152.7956 6.986589 -7.481354      8.716662 
1 1 1 -18 17 11 o 26.72017 5.639135 36.72528       14.28471 27.07687       23.61037 42.29632       17.94085 24.12102 8.282469 28.57795 6.553579 -4.456930      10.56166 
1 1 1 -18 17 12 o 57.72696 3.305633 164.4382       18.60030 174.0431       29.90274 158.3765       23.75530 59.04230 5.228162 56.48247 4.329766 2.559830       6.788265 
1 1 1 -18 17 13 o 81.23077 3.097138 324.9063       24.58052 307.6473       37.28889 338.1691       32.68793 78.68813 4.865115 82.69860 4.050478 -4.010468      6.330539 
1 1 1 -18 17 14 o 58.11982 3.361977 166.8298       19.04441 163.6910       29.63394 169.0383       24.85712 57.17152 5.357882 58.32102 4.386457 -1.149498      6.924442 
1 1 1 -18 17 15 o 42.58330 4.074988 90.34586       16.77828 103.3573       26.29504 81.41029       21.79077 45.11306 6.111831 40.04761 5.721334 5.065445       8.371865 
1 1 1 -18 17 16 o 10.37317 4.928393 -16.72111      13.58438 3.537978       20.97688 -31.35364      17.82751 17.48075 7.314670 10.79614 5.256430 6.684613       9.007466 
1 1 1 -18 17 17 o 43.77132 4.105052 95.55155       17.38268 72.58911       27.09634 111.6104       22.65992 37.20312 7.694996 47.14174 4.986217 -9.938622      9.169260 
1 1 1 -18 17 18 o 88.26582 3.189123 384.3239       27.50779 342.1028       40.48122 420.5439       37.49406 82.78200 5.019462 92.08331 4.170653 -9.301308      6.526052 
1 1 1 -18 17 19 o 64.24087 5.171517 207.0230       32.24430 179.9000       58.25955 219.0000       38.71441 57.61047 10.72600 65.78483 6.081104 -8.174355      12.32992 
1 1 1 -18 17 20 o 15.62877 7.096209 -12.36970      23.59571 -20.65000      51.41077 -10.16000      26.55815 23.14438 10.49516 17.06882 7.659007 6.075562       12.99264 
1 1 1 -18 17 21 o 19.84557 7.643795 14.28872       20.96030 102.9000       55.66370 -0.3514880     22.62565 42.54991 12.52548 17.20514 7.410985 25.34476       14.55370 
1 1 1 -18 17 22 o 73.63182 4.070791 269.9029       29.22518 263.1000       64.77586 271.6416       32.74764 70.04038 9.709183 73.71134 4.561127 -3.670959      10.72717 
1 1 1 -18 17 23 o 54.27493 5.377555 149.2765       28.19349 0.000000       0.000000 149.2765       28.19349 ?        ?        54.27493 5.377555 ?              ?        
1 1 1 -18 17 24 o 93.67912 4.500919 438.8347       41.15075 0.000000       0.000000 438.8347       41.15075 ?        ?        93.67912 4.500919 ?              ?        
1 1 1 -18 17 25 o 70.22228 4.234446 246.5685       28.97044 212.4000       63.31733 255.6155       32.58081 61.65855 10.88921 71.33293 4.692281 -9.674381      11.85716 
1 1 1 -18 17 26 o 90.41915 3.950118 407.5454       34.87607 430.1000       74.19684 401.1488       39.51331 89.99954 8.524050 89.45088 4.527591 0.5486603      9.651866 
1 1 1 -18 17 27 o 88.97525 4.097677 395.4483       35.59144 269.4000       70.66505 438.2925       41.19858 69.37208 10.75462 93.48029 4.515882 -24.10822      11.66426 
1 1 1 -18 17 28 o 82.00114 4.217534 336.8478       33.73830 179.7000       67.26035 389.6812       38.99952 54.69517 12.79261 88.05441 4.540156 -33.35925      13.57438 
1 1 1 -18 17 29 o 84.37738 3.441820 354.1642       28.36664 364.4597       41.57971 345.2005       38.79761 84.82758 5.030284 82.66515 4.815716 2.162430       6.963827 
1 1 1 -18 17 30 o 69.84815 3.594232 243.5043       24.49087 223.7332       34.44503 263.7185       34.82880 66.15901 5.365014 72.07229 4.967393 -5.913277      7.311523 
1 1 1 -18 17 31 o 71.15045 3.645279 253.2218       25.30257 263.8917       36.19066 243.0193       35.38928 71.86131 5.179873 68.88566 5.288975 2.975647       7.402996 
1 1 1 -18 17 32 o 33.18244 6.375559 59.00091       19.95543 49.72797       27.77534 68.89417       28.68933 29.63667 8.878902 34.92655 8.478325 -5.289879      12.27668 
1 1 1 -18 17 33 o 19.44942 7.658252 14.37722       21.41101 9.404281       24.84488 28.73000       42.20836 19.25801 8.001732 26.05857 10.58381 -6.800556      13.26818 
1 1 1 -18 17 34 o 14.20605 6.515626 -11.02403      20.55054 -14.22466      23.66374 -1.204000      41.44977 14.94053 6.902699 21.57376 9.632469 -6.633229      11.85039 
1 1 1 -18 17 35 o 22.47628 7.938503 26.25527       21.77164 44.26711       25.25213 -25.91000      42.97439 27.77409 8.497040 19.29049 9.041968 8.483599       12.40794 
1 1 1 -18 17 36 o 43.23946 7.326924 103.7434       29.90431 103.7434       29.90431 0.000000       0.000000 43.23946 7.326924 ?        ?        ?              ?        
1 1 1 -18 17 37 o 20.28666 8.346910 13.84344       26.67582 13.84344       26.67582 0.000000       0.000000 20.28666 8.346910 ?        ?        ?              ?        
1 1 1 -18 17 38 o 30.32924 8.059687 53.45059       24.33279 45.84537       29.17501 70.83000       44.10345 27.84707 9.206064 32.98262 11.32013 -5.135550      14.59099 
1 1 1 -18 17 39 o 15.25556 6.984446 -10.00817      23.47255 -2.645000      28.73313 -24.78000      40.69750 17.91691 8.008397 18.52434 8.719355 -0.6074333     11.83898 
1 1 1 -18 17 40 o 17.00619 7.069385 7.756632       19.40527 5.595574       26.18452 10.38966       28.90276 18.45878 7.961933 19.92849 8.474723 -1.469715      11.62813 
1 1 1 -18 17 41 o 37.66016 6.054095 77.30529       21.56088 112.9748       30.86797 43.32360       30.12883 44.71376 7.304767 26.85165 9.349599 17.86211       11.86485 
1 1 1 -18 17 42 o 26.23581 7.763632 40.58067       21.33891 7.217656       30.00970 74.70172       30.34871 19.46202 8.458714 34.82904 8.877192 -15.36703      12.26191 
1 1 1 -18 17 43 o 11.64880 5.637608 -26.99059      19.70935 -28.65354      27.98041 -25.35289      27.76726 14.44069 6.918991 14.69145 6.998762 -0.2507639     9.841499 
1 1 1 -18 17 44 o 22.64826 8.160170 28.92171       23.11766 7.654000       35.34219 44.82617       30.56276 20.46263 9.027999 26.78100 9.410166 -6.318369      13.04055 
1 1 1 -18 17 45 o 18.23510 7.461819 12.24632       21.16996 -0.6441042     29.90660 25.19248       29.97120 18.13464 8.133143 22.42686 8.985617 -4.292223      12.11979 
1 1 1 -18 17 46 o 21.69623 7.912197 25.97416       21.82056 42.62992       31.38026 10.38104       30.36274 26.15184 9.495617 19.82450 8.562451 6.327332       12.78602 
1 1 1 -18 17 47 o 19.65893 7.764256 17.91517       22.06761 15.71491       30.87907 20.21183       31.54832 20.75075 8.789348 21.62312 9.003291 -0.8723698     12.58220 
1 1 1 -18 17 48 o 23.14709 8.765500 30.42876       27.26184 22.59411       32.83907 47.80000       48.89860 22.16938 9.204394 27.26796 11.26827 -5.098583      14.54974 
1 1 1 -18 17 49 o 24.99830 8.214708 38.19152       23.24219 29.18002       33.17359 46.87993       32.57346 23.25842 9.406053 26.84256 9.684375 -3.584143      13.50041 
1 1 1 -18 17 50 o 23.03260 8.516386 31.15807       25.42058 48.79000       42.15875 21.08530       31.86487 26.95970 10.70492 21.58473 9.022435 5.374964       13.99998 
1 1 1 -18 17 51 o 26.99662 8.183699 45.86030       23.49594 63.72658       33.90579 29.35398       32.58983 30.25136 9.920774 22.94274 9.306731 7.308626       13.60283 
1 1 1 -18 17 52 o 22.04344 8.089270 28.98555       22.86231 55.91520       32.76829 3.443243       31.91306 28.21165 9.754517 18.58995 8.364143 9.621700       12.84949 
1 1 1 -18 18 1  o 48.97038 3.796842 118.7232       18.05754 179.6000       53.32633 110.8386       19.19132 58.85455 9.586323 47.24514 4.193453 11.60941       10.46340 
1 1 1 -18 18 2  o 48.80089 3.674442 117.8245       17.42303 57.92000       34.26645 138.7114       20.23375 33.43681 9.823387 52.93389 3.933246 -19.49708      10.58156 
1 1 1 -18 18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -18 18 4  o 61.91121 3.249923 188.8996       19.62569 124.2232       31.58461 229.5764       25.04817 49.51558 6.687500 68.19342 3.767195 -18.67784      7.675573 
1 1 1 -18 18 5  o 82.92133 3.088369 338.2961       25.02316 295.1143       39.11668 368.2076       32.55596 77.05375 5.217113 86.38983 3.859754 -9.336082      6.489682 
1 1 1 -18 18 6  o 109.1866 3.457799 586.9750       36.90860 594.0000       67.22047 583.9432       44.16079 109.0816 6.322796 108.7597 4.155875 0.3219070      7.566310 
1 1 1 -18 18 7  f 30.88446 6.498294 49.25198       19.02153 42.03534       24.97534 59.22000       29.35273 28.59206 8.382864 33.61371 8.814452 -5.021648      12.16417 
1 1 1 -18 18 8  o 53.48495 4.437578 142.1814       23.02290 120.5029       29.77757 174.4000       36.30180 48.78482 6.389299 58.82790 6.407768 -10.04308      9.048903 
1 1 1 -18 18 9  o 74.87164 3.795054 276.8797       27.72188 283.1999       35.71443 267.3000       43.96984 75.50597 4.858105 73.00298 6.212255 2.502998       7.886272 
1 1 1 -18 18 10 o 51.23460 4.444770 130.6412       22.07014 137.9186       28.27800 119.3000       35.30132 52.40514 5.599420 48.12231 7.758180 4.282833       9.567803 
1 1 1 -18 18 11 o 57.16666 4.257148 162.2807       23.65041 155.2915       30.12954 173.5000       38.17357 55.61814 5.611020 58.49472 6.793355 -2.876575      8.810971 
1 1 1 -18 18 12 o 34.92057 4.737955 61.45348       15.77754 36.07054       24.73884 78.85629       20.48415 26.74258 8.447438 39.47632 5.446165 -12.73374      10.05087 
1 1 1 -18 18 13 o 38.25723 4.273299 73.23106       15.72934 47.10460       25.39130 89.50066       20.03701 29.98514 8.345811 42.20049 4.944398 -12.21535      9.700496 
1 1 1 -18 18 14 o 14.38737 5.992665 2.517711       13.98424 14.48510       22.56443 -4.945215      17.81883 20.48109 7.919634 14.48526 6.399742 5.995833       10.18220 
1 1 1 -18 18 15 o 51.48730 3.593970 131.4063       17.99887 135.4606       28.60322 128.7485       23.15878 51.78374 5.739316 50.72922 4.718001 1.054527       7.429622 
1 1 1 -18 18 16 o 12.02431 5.442721 -7.348419      13.75112 1.537398       22.00712 -13.03993      17.61279 17.41844 7.400684 12.97967 5.981852 4.438772       9.515918 
1 1 1 -18 18 17 o 12.65025 5.637809 -5.164191      14.13116 -8.466871      21.91333 -2.813026      18.48913 15.57952 6.976482 15.15529 6.612388 0.4242296      9.612230 
1 1 1 -18 18 18 o 12.39085 5.685340 -10.69818      15.66788 -12.71902      21.15310 -8.242000      23.32059 14.58647 6.660007 16.15327 7.217817 -1.566802      9.821027 
1 1 1 -18 18 19 o 42.47491 5.070019 91.30312       20.66318 97.51956       27.74440 83.56000       30.96435 43.39638 6.750971 39.60044 8.256206 3.795944       10.66492 
1 1 1 -18 18 20 o 57.14806 4.392884 163.3556       24.38453 164.1000       58.59578 163.1996       26.81691 54.20344 11.40590 56.98631 4.853793 -2.782871      12.39572 
1 1 1 -18 18 21 o 43.31617 5.532620 95.70251       22.92305 60.87000       56.35062 102.6096       25.09309 34.63546 12.70155 44.76596 5.867766 -10.13050      13.99143 
1 1 1 -18 18 22 o 69.74628 4.698274 243.9957       31.88778 0.000000       0.000000 243.9957       31.88778 ?        ?        69.74628 4.698274 ?              ?        
1 1 1 -18 18 23 o 30.93113 8.138142 51.66348       24.96702 0.000000       0.000000 51.66348       24.96702 ?        ?        30.93113 8.138142 ?              ?        
1 1 1 -18 18 24 o 45.89064 5.474545 107.6008       24.10673 274.3000       64.54696 80.57996       25.98717 71.17156 9.502612 39.07043 7.054787 32.10113       11.83510 
1 1 1 -18 18 25 o 48.11995 5.316298 118.0705       24.62337 80.70000       58.42919 126.1406       27.15220 37.56514 13.02361 49.61281 5.694294 -12.04767      14.21406 
1 1 1 -18 18 26 o 70.05123 4.280322 245.9612       29.20924 172.8000       63.26509 265.7814       32.92896 54.25379 12.20904 72.67525 4.653428 -18.42147      13.06579 
1 1 1 -18 18 27 o 87.44117 4.082518 382.4796       34.84574 265.1000       70.09836 421.0046       40.15900 68.44543 10.82242 91.53989 4.495694 -23.09446      11.71905 
1 1 1 -18 18 28 o 88.82146 3.421680 392.3846       29.69276 331.8176       42.59402 449.6438       41.41460 80.68943 5.424460 94.55505 4.487492 -13.86562      7.040053 
1 1 1 -18 18 29 o 65.08347 3.782539 211.9884       23.99301 153.7880       33.92764 270.2135       33.93485 54.19531 6.526906 73.04613 4.772293 -18.85082      8.085498 
1 1 1 -18 18 30 o 48.18368 4.544778 118.0342       21.18156 82.66494       29.43233 156.0337       30.50706 38.71763 8.029856 54.87183 5.766002 -16.15420      9.885614 
1 1 1 -18 18 31 o 19.22312 7.187617 16.16968       18.20299 22.51759       25.04838 9.065425       26.49863 22.27094 8.409219 19.72795 8.235635 2.542990       11.77033 
1 1 1 -18 18 32 o 11.82319 5.616686 -19.57345      17.63394 -16.71733      23.76958 -23.06949      26.29796 14.71083 6.838529 14.87456 7.003790 -0.1637306     9.788695 
1 1 1 -18 18 33 o 33.50212 6.303805 60.62750       19.91350 46.35941       27.82792 75.60180       28.50829 28.38039 8.958626 36.45382 8.189917 -8.073425      12.13803 
1 1 1 -18 18 34 o 22.91822 7.423472 28.53153       19.01432 10.66863       26.74530 46.78712       27.03769 19.83074 8.275861 28.42490 8.809624 -8.594164      12.08716 
1 1 1 -18 18 35 o 22.30982 7.931290 25.95270       21.76235 34.82741       26.83018 8.885000       37.20779 25.11548 8.817476 21.77880 9.442473 3.336676       12.91930 
1 1 1 -18 18 36 o 43.20113 7.344557 103.9438       29.94693 103.9438       29.94693 0.000000       0.000000 43.20113 7.344557 ?        ?        ?              ?        
1 1 1 -18 18 37 o 19.27242 8.591759 -1.272706      32.84507 -3.858000      53.73318 0.2695000      41.50103 23.18875 10.59798 21.39440 9.589079 1.794348       14.29222 
1 1 1 -18 18 38 o 27.77360 8.741830 45.75311       26.51535 70.71000       33.32033 2.661000       43.78375 33.78029 9.616774 21.98080 9.850791 11.79948       13.76664 
1 1 1 -18 18 39 o 30.69597 7.791969 54.88134       23.44885 49.29048       27.91259 68.29000       43.22684 28.56337 8.966263 32.08194 11.19717 -3.518574      14.34470 
1 1 1 -18 18 40 o 23.67584 8.094671 31.71603       22.54579 36.24939       27.31700 22.03000       39.92969 25.07129 8.888720 23.64378 10.00383 1.427513       13.38230 
1 1 1 -18 18 41 o 28.33986 8.010289 47.85765       23.20153 24.79903       28.24467 95.70000       40.68423 22.36100 8.798570 37.95049 10.56480 -15.58948      13.74881 
1 1 1 -18 18 42 o 22.57370 8.048835 28.60448       22.42784 37.51802       27.61716 11.34000       38.43534 25.09468 8.933315 21.57492 9.470416 3.519758       13.01894 
1 1 1 -18 18 43 o 14.49085 6.672601 -9.916374      21.84923 1.869494       26.57027 -34.53000      38.39750 17.66829 7.810043 16.76122 8.050353 0.9070644      11.21628 
1 1 1 -18 18 44 o 21.46439 7.688252 25.34113       20.48713 9.519619       28.57819 42.06861       29.38502 19.38188 8.338583 26.12705 9.223129 -6.745173      12.43375 
1 1 1 -18 18 45 o 20.71663 8.074620 21.32148       23.59989 44.71000       37.09304 5.415101       30.58980 26.60510 10.18861 19.10272 8.414713 7.502380       13.21420 
1 1 1 -18 18 46 o 16.37770 7.141595 2.830873       21.54023 20.30724       30.03126 -15.68661      30.91284 21.40027 8.835866 16.49417 7.710999 4.906109       11.72740 
1 1 1 -18 18 47 o 28.13842 8.821396 50.03256       27.02669 68.17370       31.97240 4.620000       50.58607 32.26133 9.491772 22.35354 10.24133 9.907789       13.96347 
1 1 1 -18 18 48 o 32.97013 7.392008 64.37195       23.26500 53.85054       32.57293 75.32909       33.24058 28.44194 9.729455 33.68837 9.610070 -5.246426      13.67537 
1 1 1 -18 18 49 o 17.24780 7.537282 4.209485       24.10546 -18.70000      37.49207 20.35354       31.47299 17.70518 8.344613 21.46609 8.969373 -3.760914      12.25080 
1 1 1 -18 18 50 o 15.87677 7.056324 0.1060916      21.98159 -34.74428      30.33775 38.62350       31.89394 14.38140 6.968270 24.78845 9.458778 -10.40705      11.74842 
1 1 1 -18 18 51 o 16.58496 7.234827 4.541265       22.12501 -31.19173      30.82205 42.52721       31.77886 14.72043 7.106019 25.36794 9.494530 -10.64751      11.85924 
1 1 1 -18 18 52 o 21.28161 7.958941 26.32946       22.32180 39.76950       31.41220 12.61979       31.72571 24.61427 9.388344 19.78573 8.646638 4.828537       12.76344 
1 1 1 -18 19 1  o 137.0621 3.414801 924.3840       45.81301 836.4719       66.19762 1005.194       63.46737 129.8152 5.220320 142.5590 4.554148 -12.74377      6.927626 
1 1 1 -18 19 2  o 26.10423 5.378781 35.00558       13.28621 18.84166       26.12776 40.64302       15.43012 22.54834 8.571382 28.09896 5.802390 -5.550627      10.35067 
1 1 1 -18 19 3  o 91.52693 3.314231 412.6306       29.64288 356.1000       53.54554 437.6118       35.59501 84.22015 6.546710 94.15218 3.870611 -9.932022      7.605330 
1 1 1 -18 19 4  o 72.83703 3.154647 261.3504       22.43769 196.4306       36.01966 302.5157       28.68250 62.56205 5.953650 78.27145 3.754704 -15.70941      7.038732 
1 1 1 -18 19 5  o 30.15109 5.597081 46.55104       15.91051 11.26934       25.17673 70.01000       20.52952 20.57970 8.238978 37.08952 5.848392 -16.50982      10.10369 
1 1 1 -18 19 6  o 55.71440 3.350535 153.3051       18.18764 127.0589       30.69926 167.4994       22.57623 50.06371 6.411661 58.13920 3.991342 -8.075497      7.552497 
1 1 1 -18 19 7  o 27.59941 5.377003 39.07903       14.00362 30.70243       25.91183 42.53492       16.64350 25.42908 8.678307 28.68440 6.114750 -3.255325      10.61617 
1 1 1 -18 19 8  o 53.48453 4.387204 142.3337       22.76625 124.5525       29.19975 169.9000       36.35693 49.60317 6.145332 57.93525 6.524497 -8.332081      8.962933 
1 1 1 -18 19 9  o 48.22840 4.654328 116.2008       21.69919 103.9709       27.87782 135.0000       34.56336 45.15004 6.494667 51.39260 7.056978 -6.242565      9.590705 
1 1 1 -18 19 10 o 110.6582 4.415896 606.7930       47.73487 659.8000       69.95255 560.6000       65.30177 114.6968 6.254498 105.6609 6.343206 9.035965       8.908143 
1 1 1 -18 19 11 o 30.01790 6.789142 46.99943       19.47929 39.35035       24.68265 59.63000       31.71749 27.64252 8.389553 33.53427 9.325509 -5.891747      12.54391 
1 1 1 -18 19 12 o 83.01204 3.843374 341.0154       31.14438 329.6197       39.32096 360.2000       51.01879 81.31063 4.964152 84.58591 6.205242 -3.275284      7.946562 
1 1 1 -18 19 13 o 44.45645 5.138800 99.59580       21.95040 93.85151       27.49068 109.7000       36.46011 42.68037 6.809022 45.66628 8.468473 -2.985909      10.86636 
1 1 1 -18 19 14 o 80.05930 3.138936 316.2229       24.55037 317.1105       37.78750 315.5746       32.29486 79.72719 4.865283 79.73859 4.151999 -0.1140594E-01 6.396099 
1 1 1 -18 19 15 o 57.97903 3.423563 166.4390       19.34274 174.8836       30.73997 160.9039       24.88730 58.94801 5.387034 56.76064 4.516670 2.187378       7.029968 
1 1 1 -18 19 16 f 25.12411 6.141213 32.98693       14.97331 -2.450264      23.17041 58.39735       19.62049 17.06189 7.423882 33.57313 6.198818 -16.51124      9.671576 
1 1 1 -18 19 17 o 23.43817 6.962535 28.40160       17.13576 29.30506       24.24619 27.50000       24.22107 24.54700 8.394324 24.05145 8.382455 0.4955502      11.86298 
1 1 1 -18 19 18 f 44.67704 4.596464 100.4166       19.81439 108.6119       27.55384 91.64000       28.51439 45.96631 6.288730 41.83958 7.223619 4.126732       9.577515 
1 1 1 -18 19 19 o 17.77414 6.594966 12.84145       15.26797 14.47366       23.40903 11.63308       20.14178 20.52705 8.029977 18.90908 7.433175 1.617975       10.94224 
1 1 1 -18 19 20 o 27.29070 6.269828 39.18386       16.39595 50.31027       25.14259 30.95128       21.62719 30.58580 8.221951 24.59801 7.912745 5.987793       11.41105 
1 1 1 -18 19 21 f 30.78248 7.609754 50.78920       22.79698 0.000000       0.000000 50.78920       22.79698 ?        ?        30.78248 7.609754 ?              ?        
1 1 1 -18 19 22 o 43.90112 5.663199 98.82948       23.76934 158.9000       63.44599 89.02177       25.63642 52.05698 12.59041 41.31475 6.558240 10.74224       14.19609 
1 1 1 -18 19 23 f 28.83012 7.747375 44.77307       22.32846 75.30000       60.57207 39.97259       24.02001 36.78107 13.21428 27.36112 8.270285 9.419943       15.58893 
1 1 1 -18 19 24 o 95.16254 4.012804 451.8440       37.29446 373.3000       78.65999 474.6199       42.35798 82.55662 9.933440 97.31910 4.458473 -14.76248      10.88812 
1 1 1 -18 19 25 o 61.84818 4.607104 192.7664       27.69047 87.26000       63.98909 217.0760       30.71531 38.56578 13.61066 65.56396 4.819805 -26.99818      14.43885 
1 1 1 -18 19 26 o 88.97234 4.103652 396.2292       35.64188 241.5000       71.07167 448.2175       41.19676 64.47306 11.69236 94.44792 4.468872 -29.97486      12.51727 
1 1 1 -18 19 27 o 60.86923 4.698109 187.4713       27.77508 76.71000       61.19811 216.2052       31.17030 36.35936 13.25190 65.29382 4.913152 -28.93446      14.13337 
1 1 1 -18 19 28 o 51.81065 5.275949 137.6557       26.38339 133.2000       61.44409 138.6629       29.21361 46.07422 13.03990 51.72571 5.873848 -5.651489      14.30178 
1 1 1 -18 19 29 o 24.32710 8.196517 31.02936       23.10876 -34.66000      56.82667 44.04449       25.29466 22.16210 10.39106 28.17715 8.480317 -6.015055      13.41230 
1 1 1 -18 19 30 o 37.32108 7.298349 76.08950       25.70587 -9.750000      59.31427 95.94049       28.52375 24.52564 11.18055 42.08101 7.182495 -17.55538      13.28883 
1 1 1 -18 19 31 f 24.47864 8.491212 31.83595       24.83895 23.88000       59.05064 33.54627       27.37894 27.63252 11.93793 25.14930 8.900472 2.483221       14.89068 
1 1 1 -18 19 32 f 35.83025 5.987458 68.59078       20.25856 51.74514       28.77578 85.14491       28.52571 29.79507 9.061712 39.00645 7.744497 -9.211380      11.92023 
1 1 1 -18 19 33 o 16.85591 6.923656 7.669223       18.31421 34.77309       26.38414 -17.53344      25.44196 25.16459 8.750078 15.11492 7.042743 10.04966       11.23228 
1 1 1 -18 19 34 o 19.89251 7.654383 17.36733       21.00391 6.422748       26.74520 34.98000       33.92804 18.98318 8.114864 25.72005 9.769668 -6.736864      12.70029 
1 1 1 -18 19 35 o 33.15567 7.810184 62.96767       24.92676 86.37692       29.35381 2.439000       47.20100 38.87228 7.982139 22.78690 10.21878 16.08537       12.96681 
1 1 1 -18 19 36 o 13.29127 6.373478 -28.02985      23.85006 -63.59000      53.27567 -19.11697      26.67203 18.65909 9.085201 15.24292 7.137883 3.416165       11.55380 
1 1 1 -18 19 37 o 28.47122 7.487587 46.53881       21.14098 44.17000       31.40366 48.50214       28.58979 27.30012 9.542748 28.43173 9.092942 -1.131611      13.18126 
1 1 1 -18 19 38 o 25.27008 7.404992 36.58037       19.49281 35.24218       27.18500 37.99652       27.96555 24.89878 8.863190 25.61635 9.001413 -0.7175751     12.63256 
1 1 1 -18 19 39 o 15.73001 6.979067 -1.890489      21.41029 -5.851480      25.51068 7.547000       39.37752 16.42672 7.426492 21.54295 9.515966 -5.116230      12.07089 
1 1 1 -18 19 40 o 16.85401 7.226923 4.768396       21.33233 17.60453       25.53471 -24.89000      38.81394 20.44308 8.257766 17.83246 8.430546 2.610617       11.80105 
1 1 1 -18 19 41 o 19.93416 7.765827 18.75355       21.82082 23.52641       26.54225 8.801000       38.32794 21.73407 8.536119 21.20280 9.375962 0.5312653      12.67967 
1 1 1 -18 19 42 o 20.12113 7.835108 19.48075       22.20389 45.42757       27.11951 -33.28000      38.67188 27.03887 8.872867 16.92606 8.116265 10.11281       12.02504 
1 1 1 -18 19 43 o 17.38634 7.430526 6.584052       22.41509 13.02956       27.46592 -6.270000      38.78695 19.74713 8.322987 19.44884 8.931722 0.2982883      12.20851 
1 1 1 -18 19 44 o 29.18522 8.262508 52.38255       24.66540 59.73559       30.92202 39.52000       40.89761 30.30543 9.425895 25.77154 10.43609 4.533895       14.06270 
1 1 1 -18 19 45 o 18.84697 7.879179 12.24063       24.30634 18.01309       29.96098 1.127000       41.57228 20.96003 8.754105 20.62755 9.386725 0.3324833      12.83530 
1 1 1 -18 19 46 o 27.98217 10.65075 52.79000       40.37477 52.79000       40.37477 0.000000       0.000000 27.98217 10.65075 ?        ?        ?              ?        
1 1 1 -18 19 47 o 20.98693 8.338463 21.87695       25.59471 -3.312306      32.22367 64.93000       42.12785 18.17014 8.266794 30.06812 10.98939 -11.89798      13.75160 
1 1 1 -18 19 48 o 28.58588 9.409375 53.85738       30.48911 97.98000       42.63733 7.687000       43.61552 36.85075 10.99153 21.49552 9.715034 15.35523       14.66955 
1 1 1 -18 19 49 o 26.42519 8.723716 44.65800       26.20080 77.95150       33.45521 -8.154000      42.13571 34.01489 9.620354 19.48995 9.075280 14.52494       13.22543 
1 1 1 -18 19 50 o 43.93871 6.781374 111.6364       28.22803 139.3580       36.02587 67.55000       45.43161 47.84091 7.973736 29.54569 11.28544 18.29522       13.81816 
1 1 1 -18 19 51 o 20.96305 7.982689 25.07189       22.68667 13.18930       32.59652 36.23518       31.59452 19.97648 8.746422 23.84944 9.329094 -3.872959      12.78796 
1 1 1 -18 20 1  o 91.34922 3.027506 410.8874       27.03309 405.9820       43.72180 413.9232       34.39571 90.34200 4.963339 91.51660 3.848296 -1.174599      6.280455 
1 1 1 -18 20 2  o 52.53323 3.421938 136.4952       17.50017 92.41679       31.30924 156.5234       21.10478 42.12334 7.883213 56.19450 3.860355 -14.07117      8.777663 
1 1 1 -18 20 3  o 89.79140 4.638153 400.2920       40.62671 535.6000       74.58073 343.2000       48.44538 102.8001 7.462669 82.71083 6.025215 20.08927       9.591383 
1 1 1 -18 20 4  o 66.39841 3.516466 217.8517       22.77294 302.5000       61.50386 204.4027       24.51537 76.75706 8.318946 64.23531 3.917678 12.52175       9.195273 
1 1 1 -18 20 5  o 21.84066 6.166768 24.49634       13.75848 -8.963000      30.03949 33.37860       15.47731 18.57339 8.252193 25.34391 6.273055 -6.770514      10.36580 
1 1 1 -18 20 6  o 55.26390 3.966789 151.5816       21.31514 108.3065       30.99730 190.4000       29.35780 45.87999 7.134044 61.76136 4.896282 -15.88137      8.652639 
1 1 1 -18 20 7  o 27.89434 5.323121 39.95235       14.00402 25.66857       25.61166 46.04405       16.72573 23.99173 8.595871 29.86485 5.930807 -5.873121      10.44335 
1 1 1 -18 20 8  o 73.40065 3.113631 265.7027       22.31956 260.7688       36.34058 268.6911       28.28239 72.23235 5.174163 73.64601 3.937698 -1.413658      6.502110 
1 1 1 -18 20 9  o 29.91778 5.196028 45.76657       14.66446 45.57263       25.78421 45.85929       17.82872 29.47692 8.481487 29.70393 6.325961 -0.2270069     10.58080 
1 1 1 -18 20 10 o 102.8301 4.796189 526.3122       48.14208 441.0000       72.34969 594.1000       64.49216 92.69075 8.054205 108.7219 6.084431 -16.03111      10.09408 
1 1 1 -18 20 11 f 30.72432 6.950033 49.46970       20.41069 48.82227       25.99741 50.51000       32.95435 30.39141 8.439571 31.10897 9.739145 -0.7175598     12.88710 
1 1 1 -18 20 12 o 92.93373 3.855607 427.7644       34.99678 434.0751       44.72631 417.8000       56.20217 93.27422 4.916222 90.92496 6.354867 2.349266       8.034524 
1 1 1 -18 20 13 o 72.18954 3.998989 258.7948       28.14689 278.7052       35.91559 227.1000       45.31452 74.64368 4.943533 66.58463 7.060221 8.059052       8.618889 
1 1 1 -18 20 14 o 51.12342 4.694326 131.1104       23.22887 137.6220       29.50796 120.5000       37.66706 52.03220 5.897650 47.76318 8.361249 4.269024       10.23195 
1 1 1 -18 20 15 o 13.59703 6.063239 -5.781740      16.36870 -1.847704      22.24184 -10.43000      24.17668 16.79073 7.290047 16.11590 7.262990 0.6748238      10.29057 
1 1 1 -18 20 16 o 79.87982 3.681843 316.5395       28.71038 337.3202       39.05344 292.1000       42.35209 82.05296 4.884597 75.99853 5.735625 6.054428       7.533703 
1 1 1 -18 20 17 o 103.5853 3.246692 530.5193       32.87825 536.9347       49.59933 525.4908       43.91211 103.5402 4.907934 102.6673 4.379706 0.8728867      6.577966 
1 1 1 -18 20 18 o 18.18250 6.562642 14.42655       14.96003 15.91311       23.72496 13.44536       19.27491 20.91755 8.111917 19.09675 7.336599 1.820805       10.93750 
1 1 1 -18 20 19 o 15.15613 6.375793 2.370883       16.06887 11.83000       26.60699 -3.060064      20.16082 20.76649 8.414567 15.70310 6.876900 5.063383       10.86723 
1 1 1 -18 20 20 o 33.09604 5.806016 56.88145       18.12321 54.83000       29.49541 58.12570       22.97094 31.70563 9.055139 32.99986 7.304717 -1.294235      11.63419 
1 1 1 -18 20 21 o 20.84646 7.618565 19.20833       20.24692 -17.83000      58.07154 24.33377       21.60245 24.50513 11.12885 22.55474 7.912461 1.950396       13.65498 
1 1 1 -18 20 22 o 60.75376 6.112000 189.6932       35.85313 275.0000       67.81626 156.6000       42.23875 70.63854 10.09487 54.11091 8.234127 16.52763       13.02717 
1 1 1 -18 20 23 o 21.77451 7.919358 21.56455       21.83920 92.60000       60.72567 11.01207       23.40519 39.52962 13.28684 19.58324 7.907543 19.94638       15.46187 
1 1 1 -18 20 24 o 76.84426 4.175720 295.8202       31.29062 214.6000       68.44274 317.2820       35.18273 60.60044 11.96321 79.42377 4.544535 -18.82333      12.79731 
1 1 1 -18 20 25 o 39.98499 6.291449 83.78804       23.81113 143.2000       59.49640 72.45724       25.98269 48.69373 12.43925 36.64221 7.497199 12.05153       14.52387 
1 1 1 -18 20 26 o 66.82322 4.472746 225.1928       29.08706 114.4000       62.05328 256.3911       32.92870 42.76864 13.36060 71.18690 4.752952 -28.41826      14.18084 
1 1 1 -18 20 27 o 106.7812 4.066620 571.9726       42.42679 400.0000       78.73219 642.3467       50.36502 84.59286 9.682776 112.8099 4.570628 -28.21703      10.70732 
1 1 1 -18 20 28 o 73.66235 4.432497 274.4997       31.81166 151.1000       66.44415 311.1979       36.23449 48.11487 13.54027 78.25969 4.752584 -30.14482      14.35012 
1 1 1 -18 20 29 o 60.63936 4.900978 188.2742       28.84233 133.1000       63.99696 202.3374       32.30967 44.63211 13.50123 62.63413 5.320354 -18.00203      14.51170 
1 1 1 -18 20 30 o 55.87715 5.212841 161.5237       28.18219 106.1000       62.25267 175.8104       31.60645 39.49999 13.45191 58.05787 5.632393 -18.55788      14.58347 
1 1 1 -18 20 31 o 36.88081 7.356063 75.50926       25.62368 -42.47000      57.64263 104.5637       28.60534 21.19999 10.09497 43.84754 6.892070 -22.64755      12.22330 
1 1 1 -18 20 32 o 16.32680 7.291883 -4.503212      23.77173 -42.30000      54.56284 4.351978       26.41000 20.50842 9.781272 18.58764 8.006653 1.920773       12.64040 
1 1 1 -18 20 33 o 51.49443 6.829923 144.4079       33.57758 98.65000       58.84451 166.5000       40.88757 37.43813 13.06441 54.45895 7.900783 -17.02082      15.26765 
1 1 1 -18 20 34 o 17.75150 8.240249 -17.45345      34.32307 -44.46000      53.40591 1.551000       44.80045 19.94197 9.555925 22.23034 9.963419 -2.288370      13.80527 
1 1 1 -18 20 35 o 11.73748 5.777668 -43.58952      23.39351 -57.43000      54.94998 -40.52579      25.85337 19.35185 9.376983 12.87554 6.282360 6.476306       11.28698 
1 1 1 -18 20 36 o 13.16541 6.398382 -37.72534      26.09119 0.000000       0.000000 -37.72534      26.09119 ?        ?        13.16541 6.398382 ?              ?        
1 1 1 -18 20 37 f 21.17485 8.217865 21.07727       24.36268 34.28000       54.20810 17.73552       27.27218 26.97789 11.54315 20.96404 8.510138 6.013857       14.34108 
1 1 1 -18 20 38 o 11.44026 5.476671 -20.68088      17.44824 -14.06352      24.52357 -27.46483      24.83035 14.99627 6.962647 13.59967 6.516527 1.396599       9.536434 
1 1 1 -18 20 39 o 14.58365 6.463432 -1.926875      18.31415 7.316979       25.88099 -11.19811      25.91930 18.54299 7.955847 15.76271 7.261618 2.780286       10.77156 
1 1 1 -18 20 40 o 27.04680 7.314186 42.83706       19.82557 35.16961       27.65914 50.93900       28.43200 24.49614 8.911862 28.50009 9.062635 -4.003956      12.71034 
1 1 1 -18 20 41 o 27.57851 7.308293 44.70242       20.04255 30.78675       28.02539 59.27032       28.67466 23.41462 8.882671 30.63295 8.982548 -7.218330      12.63282 
1 1 1 -18 20 42 o 12.10357 5.784283 -20.93242      19.28421 -21.28745      26.39328 -20.52584      28.24475 14.61685 6.922680 15.27089 7.211135 -0.6540394     9.996198 
1 1 1 -18 20 43 o 15.17454 6.762055 -1.868580      20.32314 -26.32252      27.96914 25.48526       29.58106 14.57182 6.964461 22.34548 8.935773 -7.773660      11.32924 
1 1 1 -18 20 44 f 21.79814 8.275788 25.72409       24.33801 42.23288       29.96237 -6.295000      41.72757 25.96628 9.298051 19.88072 9.178394 6.085562       13.06509 
1 1 1 -18 20 45 o 31.19186 9.446792 63.78724       31.31845 63.78724       31.31845 0.000000       0.000000 31.19186 9.446792 ?        ?        ?              ?        
1 1 1 -18 20 46 o 61.74397 5.073764 203.0836       30.39386 191.1020       37.62129 225.6000       51.57330 58.15654 6.733140 60.26863 9.019192 -2.112087      11.25526 
1 1 1 -18 20 47 o 16.26973 7.462550 -7.471133      26.96297 -16.91000      34.95185 6.402000       42.37381 17.26133 8.110966 21.14081 9.563204 -3.879480      12.53964 
1 1 1 -18 20 48 o 26.71460 8.572861 45.29660       25.39693 67.89652       31.42369 2.729000       43.12642 31.91528 9.415269 20.77191 9.493835 11.14337       13.37087 
1 1 1 -18 20 49 o 19.99323 8.107999 18.98768       24.72722 33.43925       30.90990 -6.700000      41.20998 23.55697 9.223711 19.33476 8.993568 4.222210       12.88259 
1 1 1 -18 20 50 o 26.31719 8.629352 45.42448       25.65344 47.63585       32.30577 41.65000       42.20634 26.29641 9.621420 25.08155 10.42601 1.214857       14.18709 
1 1 1 -18 20 51 o 23.96678 8.581016 37.28275       25.51853 21.84858       31.82806 65.06000       42.69856 21.07828 8.925520 28.61124 10.93772 -7.532963      14.11732 
1 1 1 -18 21 1  o 90.38883 3.092563 402.7577       27.32118 352.7795       43.50332 435.3083       35.10849 83.98775 5.319086 93.79634 3.832088 -9.808586      6.555728 
1 1 1 -18 21 2  o 42.73423 3.794029 90.88745       15.70544 76.43642       29.97448 96.35609       18.43918 38.01716 8.289238 43.90003 4.348185 -5.882866      9.360458 
1 1 1 -18 21 3  o 85.89191 3.094643 363.7466       25.97519 328.7100       42.13738 385.2206       32.98849 81.04739 5.341339 88.22326 3.829205 -7.175873      6.572116 
1 1 1 -18 21 4  o 32.91195 4.668483 54.78234       14.61806 25.90516       29.31292 64.34102       16.86477 24.72017 9.144307 35.64851 4.967952 -10.92834      10.40668 
1 1 1 -18 21 5  f 66.15058 3.244360 216.1497       20.94316 193.3342       36.39741 227.4426       25.60694 61.82514 6.093625 67.72914 3.878785 -5.904003      7.223381 
1 1 1 -18 21 6  o 38.79982 4.339661 75.49209       16.19934 47.64938       30.20423 86.73490       19.19330 30.21404 9.302112 41.51455 4.812312 -11.30051      10.47319 
1 1 1 -18 21 7  o 82.60384 3.364524 337.0546       27.14690 328.6000       51.19820 340.3611       32.01841 80.53325 6.551456 82.86248 3.959076 -2.329231      7.654793 
1 1 1 -18 21 8  f 44.42859 4.362184 98.78320       18.72593 72.75858       28.95226 117.5000       24.55308 37.03380 8.203191 48.26102 5.283871 -11.22723      9.757645 
1 1 1 -18 21 9  o 56.77714 3.442088 159.6815       19.03956 126.5455       31.70739 178.3668       23.81010 49.65382 6.694189 59.87680 4.087031 -10.22298      7.843213 
1 1 1 -18 21 10 o 57.76522 3.456515 165.3362       19.45450 135.3132       32.44715 182.1868       24.30845 51.37353 6.605207 60.49352 4.130046 -9.119995      7.790125 
1 1 1 -18 21 11 o 42.10225 5.644799 90.34387       22.67709 80.10452       28.75126 107.2000       36.88923 38.92810 7.817269 44.84414 8.718107 -5.916039      11.70961 
1 1 1 -18 21 12 o 47.91625 5.108658 115.9505       23.59141 89.94409       29.65261 160.8000       38.94056 41.33993 7.608294 55.71169 7.317583 -14.37176      10.55619 
1 1 1 -18 21 13 o 48.30058 5.055748 117.8254       23.54884 114.6237       29.85231 123.1000       38.31620 47.10903 6.659410 48.13929 8.439109 -1.030258      10.75018 
1 1 1 -18 21 14 o 33.77048 8.187729 61.25937       26.78133 61.25937       26.78133 0.000000       0.000000 33.77048 8.187729 ?        ?        ?              ?        
1 1 1 -18 21 15 o 44.24559 6.948240 102.0238       29.10147 102.0238       29.10147 0.000000       0.000000 44.24559 6.948240 ?        ?        ?              ?        
1 1 1 -18 21 16 o 59.71218 4.437165 178.6340       25.74896 156.0923       32.13006 219.1000       43.04897 55.24594 6.039920 65.18401 6.849281 -9.938065      9.131992 
1 1 1 -18 21 17 o 30.00675 5.875744 46.97075       16.64006 55.16697       27.27668 42.11239       21.00049 31.89542 8.559298 28.08129 7.498980 3.814127       11.37964 
1 1 1 -18 21 18 o 45.55809 4.411933 104.4897       19.42840 120.2000       33.46027 96.49914       23.86314 47.78627 7.391912 43.33831 5.768466 4.447956       9.376329 
1 1 1 -18 21 19 o 35.59731 5.525560 65.35426       18.62915 60.87000       31.40399 67.78907       23.14042 33.23697 9.292812 35.82014 6.849451 -2.583164      11.54432 
1 1 1 -18 21 20 o 79.87017 3.330976 316.5381       25.98412 319.8459       40.19702 314.1637       34.05598 79.51849 5.192804 79.16331 4.412504 0.3551865      6.814353 
1 1 1 -18 21 21 o 31.79198 5.869630 52.83194       17.59290 53.32454       27.33240 52.48348       22.98801 31.19403 8.650181 31.16364 7.604346 0.3038979E-01  11.51745 
1 1 1 -18 21 22 o 41.18281 6.062849 88.15762       23.70926 134.0000       62.32444 80.40092       25.63676 46.90575 13.08286 38.93591 6.983329 7.969833       14.82997 
1 1 1 -18 21 23 o 48.30178 5.417290 119.6392       25.17163 146.9000       61.98116 114.2550       27.54547 49.13021 12.77201 46.88741 6.150006 2.242809       14.17557 
1 1 1 -18 21 24 o 40.17589 6.342595 84.77863       24.11576 125.7000       60.30342 76.98840       26.31128 45.08913 12.96990 37.81527 7.373323 7.273857       14.91925 
1 1 1 -18 21 25 o 43.60575 5.842706 98.83880       24.31114 99.41000       58.59108 98.72000       26.71983 40.05090 13.03554 43.28635 6.507522 -3.235458      14.56960 
1 1 1 -18 21 26 o 27.51969 8.110444 41.73282       23.32713 12.25000       56.11318 47.89255       25.64845 26.46646 11.53397 29.30927 8.467061 -2.842813      14.30817 
1 1 1 -18 21 27 o 92.81757 4.113449 433.7930       37.27884 398.0000       76.12444 445.0846       42.75656 84.13332 9.404470 93.63657 4.679826 -9.503250      10.50451 
1 1 1 -18 21 28 f 30.98104 8.093679 54.12853       24.80943 -6.243000      57.14702 68.14939       27.54006 24.33701 11.04753 34.74260 8.226361 -10.40558      13.77393 
1 1 1 -18 21 29 o 23.54952 8.327488 28.94516       23.96325 23.86000       57.74432 30.00309       26.33826 27.29498 11.79865 24.08227 8.705645 3.212713       14.66276 
1 1 1 -18 21 30 o 44.04506 6.198652 103.6850       25.98564 57.40000       57.66270 115.4802       29.10900 31.33617 12.49433 46.25924 6.616955 -14.92307      14.13833 
1 1 1 -18 21 31 o 27.47957 8.473988 43.44504       25.05345 27.06000       55.78346 47.58514       28.04057 27.05723 11.64549 28.54850 8.990284 -1.491272      14.71199 
1 1 1 -18 21 32 o 18.62813 8.268271 -1.218182      30.08141 -68.61000      54.33945 28.56000       36.12108 18.67453 9.111006 24.66891 9.871110 -5.994375      13.43314 
1 1 1 -18 21 33 o 29.56627 8.434285 51.30772       25.60410 118.8000       57.03559 34.27360       28.65357 41.01868 12.80830 24.98428 9.073404 16.03440       15.69647 
1 1 1 -18 21 34 o 13.21198 6.411185 -36.77638      25.93042 0.000000       0.000000 -36.77638      25.93042 ?        ?        13.21198 6.411185 ?              ?        
1 1 1 -18 21 35 o 21.41070 8.529596 19.97930       26.85109 0.000000       0.000000 19.97930       26.85109 ?        ?        21.41070 8.529596 ?              ?        
1 1 1 -18 21 36 o 16.31212 7.277694 -2.921119      23.61419 -70.63000      52.80358 14.00558       26.40138 17.97643 8.814762 20.04247 8.280876 -2.066034      12.09433 
1 1 1 -18 21 37 o 50.47707 5.537531 135.9389       26.91139 95.10000       57.34125 147.4751       30.47625 35.53473 12.84527 52.16429 6.082742 -16.62956      14.21269 
1 1 1 -18 21 38 o 13.99562 6.560690 -16.41891      22.63309 -21.13000      52.02702 -15.31924      25.13620 20.83211 9.821915 14.99117 6.990152 5.840948       12.05538 
1 1 1 -18 21 39 o 14.48403 6.732599 -13.18802      23.03226 -13.60000      51.23135 -13.08366      25.78498 21.10687 9.886642 15.40112 7.146785 5.705752       12.19927 
1 1 1 -18 21 40 o 19.62318 8.015063 15.60119       24.37006 -52.63000      50.83149 35.96486       27.76959 18.21334 8.869553 24.59867 8.932496 -6.385330      12.58803 
1 1 1 -18 21 41 o 25.67457 8.542355 40.26406       25.10940 46.50000       51.25740 38.29512       28.80191 27.32299 11.43367 25.12950 9.101019 2.193491       14.61360 
1 1 1 -18 21 42 o 11.35073 5.646726 -52.78196      24.61178 -102.0000      50.96009 -37.80935      28.10715 15.72647 7.869964 13.60132 6.617232 2.125154       10.28222 
1 1 1 -18 21 43 o 21.93208 8.586676 25.19276       26.78565 28.67000       52.47746 23.96766       31.14885 25.04722 11.02778 22.19911 9.063657 2.848112       14.27452 
1 1 1 -18 21 44 o 33.05513 10.19646 74.82846       36.27033 23.63000       53.93412 117.1000       49.00712 24.54355 10.97105 39.62285 11.77563 -15.07929      16.09439 
1 1 1 -18 21 45 o 19.27467 8.158064 12.35070       26.56974 -68.91000      53.28514 39.24078       30.65221 17.60960 8.678127 25.18203 9.344277 -7.572426      12.75247 
1 1 1 -18 21 46 o 25.33008 9.516112 40.47664       31.98679 0.000000       0.000000 40.47664       31.98679 ?        ?        25.33008 9.516112 ?              ?        
1 1 1 -18 21 47 o 29.74124 8.950926 57.37221       28.18012 107.1000       55.81825 40.36216       32.64596 35.66389 12.69975 25.27826 9.587612 10.38563       15.91245 
1 1 1 -18 21 48 f 24.45683 9.485902 37.48457       32.44633 0.000000       0.000000 37.48457       32.44633 ?        ?        24.45683 9.485902 ?              ?        
1 1 1 -18 21 49 f 17.50058 7.770505 3.763666       26.59168 19.79000       51.05690 -2.201779      31.15005 23.01023 10.44408 17.70577 8.083373 5.304459       13.20681 
1 1 1 -18 21 50 o 28.18382 8.898261 53.52734       27.45296 45.86000       50.40500 56.76103       32.73412 25.65959 11.05714 28.21090 9.749659 -2.551315      14.74165 
1 1 1 -18 22 1  o 75.47402 3.128977 281.2678       23.06551 251.9463       39.32281 296.6479       28.47946 70.68335 5.732734 77.36072 3.772389 -6.677368      6.862591 
1 1 1 -18 22 2  o 38.64653 4.141514 74.83403       15.42259 51.67049       31.19461 82.32755       17.74272 31.22352 9.422039 40.46107 4.559269 -9.237549      10.46717 
1 1 1 -18 22 3  o 49.49758 3.654567 121.7356       17.58136 77.76331       32.73276 139.5652       20.84317 38.04136 8.942448 52.92921 4.053966 -14.88786      9.818453 
1 1 1 -18 22 4  o 43.15603 3.916497 92.92947       16.36421 53.66204       31.00126 108.0967       19.26711 31.72470 9.349858 46.48910 4.282166 -14.76440      10.28381 
1 1 1 -18 22 5  f 85.21094 3.193949 358.6090       26.59256 303.0587       42.69271 393.8247       33.99213 77.55858 5.662661 89.10530 3.906840 -11.54672      6.879617 
1 1 1 -18 22 6  o 74.06277 4.653250 273.9840       33.56311 242.3000       48.63215 302.8000       46.37880 68.59358 7.358130 77.29504 6.181496 -8.701454      9.610045 
1 1 1 -18 22 7  f 89.93833 3.202070 399.5992       28.14416 361.8228       45.20713 423.5066       35.96367 84.81455 5.474651 92.35892 3.987525 -7.544365      6.772899 
1 1 1 -18 22 8  o 68.05975 3.479326 229.5255       23.10192 186.8000       44.74599 245.0532       26.97519 59.87326 7.821955 70.20979 3.941009 -10.33654      8.758683 
1 1 1 -18 22 9  o 77.16256 3.249468 294.5000       24.48792 256.1314       39.59035 318.2750       31.16465 71.15193 5.733053 80.01102 3.991904 -8.859085      6.985929 
1 1 1 -18 22 10 o 74.08291 3.723523 272.4829       26.91434 271.4040       38.63743 273.5000       37.51274 73.35771 5.419177 73.71497 5.232987 -0.3572540     7.533368 
1 1 1 -18 22 11 o 75.38742 3.154992 281.0692       23.22963 283.0190       37.91726 279.8977       29.39112 74.98814 5.197977 74.98821 4.018892 -0.6866455E-04 6.570423 
1 1 1 -18 22 12 o 37.58988 6.398757 73.46878       22.70090 63.05464       28.83349 90.45000       36.81881 34.12683 8.628195 40.66372 9.433314 -6.536884      12.78410 
1 1 1 -18 22 13 o 23.42535 8.772644 23.32712       27.13842 23.32712       27.13842 0.000000       0.000000 23.42535 8.772644 ?        ?        ?              ?        
1 1 1 -18 22 14 o 23.26920 8.626966 23.62319       26.11638 23.62319       26.11638 0.000000       0.000000 23.26920 8.626966 ?        ?        ?              ?        
1 1 1 -18 22 15 o 28.46628 7.532837 43.38787       21.31231 36.83793       27.27862 53.65000       34.14463 26.76242 8.903687 31.47085 9.922029 -4.708427      13.33125 
1 1 1 -18 22 16 o 65.73915 4.430640 216.7116       28.34345 199.2753       36.52631 243.1000       44.93501 62.37782 6.058539 68.57992 6.782671 -6.202099      9.094533 
1 1 1 -18 22 17 f 100.2522 4.520969 503.5415       44.24993 541.7000       63.62805 467.8000       61.57990 102.8485 6.351383 95.35526 6.639100 7.493256       9.187911 
1 1 1 -18 22 18 o 46.08118 4.317281 106.9350       19.24658 97.08413       30.66303 113.3392       24.72356 42.65741 7.623507 47.06615 5.468241 -4.408749      9.381872 
1 1 1 -18 22 19 o 41.58469 4.649892 87.69912       18.60341 94.71886       29.79806 83.21541       23.81475 42.14929 7.497356 39.92572 6.302656 2.223564       9.794580 
1 1 1 -18 22 20 o 15.63179 6.527468 3.668324       16.65321 2.617911       26.65014 4.341250       21.33061 18.89783 8.089925 17.49283 7.351547 1.405006       10.93125 
1 1 1 -18 22 21 o 70.11172 3.538474 244.8876       24.20508 230.4462       37.39404 255.3020       31.75531 67.04683 5.753515 71.17238 4.582610 -4.125549      7.355491 
1 1 1 -18 22 22 o 71.95282 4.250985 260.1013       29.80602 214.3000       68.39558 270.8387       33.11599 60.17616 12.03252 73.24722 4.642813 -13.07106      12.89718 
1 1 1 -18 22 23 o 18.40145 7.565548 8.175915       21.89382 -17.54000      59.47660 12.20670       23.54723 24.35473 11.13811 19.75686 7.947762 4.597870       13.68300 
1 1 1 -18 22 24 o 48.95299 5.477683 123.6464       25.79768 53.96000       62.67703 137.8601       28.30661 32.59388 13.01611 51.61354 5.697683 -19.01966      14.20854 
1 1 1 -18 22 25 o 56.32237 4.970224 162.2612       27.11992 83.06000       61.82206 181.1344       30.17869 36.58362 13.32146 59.38675 5.245515 -22.80313      14.31700 
1 1 1 -18 22 26 o 50.98306 5.444623 134.7482       26.75058 115.0000       61.67134 139.3249       29.68895 41.65891 13.35815 51.55269 5.995232 -9.893780      14.64182 
1 1 1 -18 22 27 o 29.76310 8.137296 50.14579       24.38143 97.10000       58.25153 40.17285       26.84612 38.31585 13.01300 26.83932 8.829108 11.47652       15.72550 
1 1 1 -18 22 28 o 76.96531 4.422343 301.7977       33.17580 250.4000       70.56119 316.3842       37.58976 63.05019 11.86874 78.44537 4.920269 -15.39518      12.84820 
1 1 1 -18 22 29 o 57.52703 5.080484 171.5151       28.31400 83.95000       62.39029 194.2270       31.77445 35.23592 13.27889 61.04465 5.372461 -25.80873      14.32453 
1 1 1 -18 22 30 o 17.48665 7.569052 2.537773       23.82845 -35.17000      54.22619 11.56143       26.52681 20.87774 9.898128 19.87712 8.264329 1.000612       12.89465 
1 1 1 -18 22 31 o 30.79109 12.27812 57.81000       55.68941 57.81000       55.68941 0.000000       0.000000 30.79109 12.27812 ?        ?        ?              ?        
1 1 1 -18 22 32 o 32.86253 7.982078 62.52066       25.41750 43.29000       55.06083 67.72845       28.65316 28.58936 11.89823 33.82401 8.628119 -5.234650      14.69736 
1 1 1 -18 22 33 o 19.28902 8.146319 9.413088       26.39821 0.000000       0.000000 9.413088       26.39821 ?        ?        19.28902 8.146319 ?              ?        
1 1 1 -18 22 34 f 22.88365 8.385366 27.87096       24.55258 12.96000       59.97066 30.87357       26.91134 25.37827 11.43797 23.84493 8.772031 1.533339       14.41443 
1 1 1 -18 22 35 o 28.39458 8.299375 47.92793       24.51302 83.91000       55.84716 39.34134       27.28152 34.04268 12.61650 25.88582 8.902600 8.156858       15.44126 
1 1 1 -18 22 36 o 17.94300 7.604069 7.617580       23.13265 -49.59000      51.97961 21.74599       25.83170 18.91666 9.155080 21.43582 8.420452 -2.519159      12.43863 
1 1 1 -18 22 37 o 37.88488 5.542956 77.37270       19.94666 76.27422       28.36400 78.44747       28.05619 35.69470 8.279037 36.36656 8.090478 -0.6718559     11.57576 
1 1 1 -18 22 38 o 24.08703 7.110455 33.62412       17.91722 32.19765       24.50494 35.26273       26.26396 23.59699 8.413340 24.44402 8.710640 -0.8470345     12.11031 
1 1 1 -18 22 39 o 19.95077 7.245370 21.01667       18.27083 32.81982       24.32512 5.738071       27.67565 23.68867 8.388869 18.52830 8.086926 5.160376       11.65210 
1 1 1 -18 22 40 o 16.20731 6.776721 7.109834       17.98460 3.868840       23.18124 12.01011       28.50414 17.04643 7.421277 19.70255 8.398608 -2.656124      11.20767 
1 1 1 -18 22 41 o 14.09101 6.329631 -3.774755      18.19293 21.77296       23.89791 -38.98879      28.05704 20.83696 8.124323 13.48958 6.573711 7.347382       10.45076 
1 1 1 -18 22 42 o 14.83857 6.595474 -1.483267      19.20830 3.115384       24.62705 -8.626337      30.69302 17.26132 7.578705 17.20584 7.917607 0.5547523E-01  10.96017 
1 1 1 -18 22 43 o 22.47617 7.754436 29.37041       20.70386 17.31448       26.97023 46.66879       32.30628 20.27706 8.372912 26.83697 9.649423 -6.559916      12.77564 
1 1 1 -18 22 44 o 16.37001 7.156528 2.779035       21.75038 -0.4886000     31.25929 5.845807       30.28329 18.30435 8.253098 18.96786 8.363194 -0.6635056     11.74975 
1 1 1 -18 22 45 o 24.23616 7.786088 35.53020       20.94515 30.32148       28.20734 41.93175       31.27081 22.97795 8.862817 25.62398 9.450795 -2.646023      12.95635 
1 1 1 -18 22 46 o 15.05822 6.732797 -1.924156      20.32610 11.55797       27.18929 -19.00490      30.60356 19.14915 8.183785 15.92418 7.515561 3.224972       11.11117 
1 1 1 -18 22 47 o 32.73642 7.092095 63.45390       22.06722 65.26660       30.02153 61.32343       32.54673 31.29571 9.194942 29.81939 9.716243 1.476316       13.37731 
1 1 1 -18 22 48 o 19.07075 7.526532 18.02222       20.72349 2.197632       27.76299 37.93333       31.14209 17.54533 7.855011 24.30238 9.328318 -6.757042      12.19503 
1 1 1 -18 22 49 o 16.32360 7.214241 2.966871       22.66043 -29.58000      32.28230 34.58059       31.81615 15.11842 7.291745 23.43062 9.300881 -8.312199      11.81846 
1 1 1 -18 23 1  o 48.67426 4.438718 118.8442       20.91526 107.6482       34.09400 125.6000       26.48417 45.09493 8.017856 49.72436 5.535117 -4.629433      9.742870 
1 1 1 -18 23 2  o 31.75071 4.891858 51.44986       14.71560 16.15939       31.01658 61.70114       16.71684 22.83279 9.143457 34.78655 5.057533 -11.95376      10.44899 
1 1 1 -18 23 3  o 39.68692 4.178119 79.07458       15.98739 62.42605       32.02087 84.60283       18.45180 33.88075 9.350286 40.93626 4.689494 -7.055508      10.46036 
1 1 1 -18 23 4  o 38.28552 4.304264 73.76669       15.85110 60.67178       31.30077 78.28320       18.38253 33.42369 9.252439 39.30465 4.883078 -5.880955      10.46193 
1 1 1 -18 23 5  o 32.52248 5.041625 54.07861       15.53032 1.244651       31.11133 71.61355       17.92314 20.22461 8.700712 37.53271 5.003131 -17.30810      10.03662 
1 1 1 -18 23 6  o 47.60021 3.896973 113.1083       17.99813 57.37777       32.66258 137.4086       21.56797 32.53055 9.599673 52.40574 4.240795 -19.87518      10.49467 
1 1 1 -18 23 7  o 86.75008 3.197471 372.1950       27.10435 341.3462       44.15832 390.8429       34.33268 82.22340 5.518653 88.65278 3.966527 -6.429375      6.796239 
1 1 1 -18 23 8  o 35.65953 4.569339 64.39021       15.58304 77.03169       31.20054 60.18877       17.98712 37.73111 8.635221 34.18499 5.566895 3.546116       10.27411 
1 1 1 -18 23 9  o 48.94603 3.781274 119.4937       17.97561 125.1621       32.79802 117.0599       21.49082 49.02198 7.036634 48.22337 4.608919 0.7986031      8.411680 
1 1 1 -18 23 10 o 68.56561 3.580581 233.5167       23.94741 288.5000       48.39442 215.6875       27.55791 74.94257 6.666723 65.67042 4.311005 9.272148       7.939141 
1 1 1 -18 23 11 o 16.28204 6.485789 7.630462       15.52343 52.75605       28.03638 -12.32000      18.64176 31.18786 8.802039 13.48275 6.191926 17.70511       10.76178 
1 1 1 -18 23 12 o 48.46682 4.451828 118.1826       20.88403 106.5548       32.11785 126.7000       27.48853 44.86511 7.583587 49.76142 5.749155 -4.896309      9.516489 
1 1 1 -18 23 13 o 51.90910 3.829006 134.5703       19.31827 109.8386       31.62089 149.2982       24.40156 45.64497 7.325133 54.44923 4.622099 -8.804260      8.661488 
1 1 1 -18 23 14 o 33.52965 7.026195 59.81018       22.32068 31.45104       28.45156 105.2000       35.99473 25.46433 9.067014 44.01722 8.662910 -18.55289      12.54021 
1 1 1 -18 23 15 o 103.9389 4.565738 541.7822       46.33769 599.0000       68.41962 493.3000       62.98055 107.9851 6.503212 97.88496 6.612112 10.10012       9.274255 
1 1 1 -18 23 16 o 46.73889 5.983096 112.7940       26.74536 132.5000       37.76262 92.96000       37.88498 49.75938 8.026231 40.77720 9.643997 8.982174       12.54699 
1 1 1 -18 23 17 o 52.51034 5.015906 139.9991       25.46811 130.0807       32.86892 154.9000       40.28749 49.80038 6.930415 53.92918 7.863338 -4.128807      10.48154 
1 1 1 -18 23 18 o 25.32661 7.997656 33.85199       22.17614 51.72785       28.31170 5.473000       35.67230 30.65587 8.907613 21.85305 9.357444 8.802818       12.91926 
1 1 1 -18 23 19 f 22.38161 7.075754 26.00443       17.35373 11.84867       27.97371 34.86036       22.12588 20.91632 8.570346 25.58722 7.975664 -4.670898      11.70735 
1 1 1 -18 23 20 o 23.97133 7.160904 30.56028       18.08645 48.40172       29.06690 19.28820       23.10392 29.62709 9.125994 21.33616 8.071752 8.290932       12.18347 
1 1 1 -18 23 21 o 21.64745 7.155913 23.88114       17.62771 33.23767       27.61069 17.44332       22.90284 25.52976 8.946190 20.80708 7.996366 4.722679       11.99901 
1 1 1 -18 23 22 o 60.84598 3.849064 185.6973       22.80666 201.0942       35.96864 175.3450       29.49360 62.29866 5.971489 58.53665 5.201576 3.762009       7.919285 
1 1 1 -18 23 23 o 43.25250 5.946086 97.97789       24.50828 126.3000       61.34702 92.59917       26.73440 44.25085 13.18091 41.62667 6.795579 2.624180       14.82957 
1 1 1 -18 23 24 o 14.41158 6.661452 -14.45814      22.07644 23.48000       56.47673 -21.30054      23.98478 27.55534 11.78603 14.28059 6.713058 13.27476       13.56376 
1 1 1 -18 23 25 o 50.61393 5.437521 133.1062       26.51680 107.3000       61.61811 138.9716       29.37608 40.00027 13.38339 51.44606 5.942698 -11.44579      14.64345 
1 1 1 -18 23 26 o 86.64186 4.773197 384.1054       40.32386 0.000000       0.000000 384.1054       40.32386 ?        ?        86.64186 4.773197 ?              ?        
1 1 1 -18 23 27 o 37.68077 7.168849 78.45566       25.47502 68.02000       58.13975 80.93529       28.34045 32.88330 12.71323 37.83979 7.906785 -4.956497      14.97142 
1 1 1 -18 23 28 o 35.62337 7.587934 71.44482       25.64754 30.77000       57.07141 81.73806       28.70992 27.63414 11.83446 37.91427 7.988605 -10.28013      14.27838 
1 1 1 -18 23 29 o 28.12327 9.454832 46.53917       30.74929 39.75000       57.11616 49.31000       36.48847 28.53890 12.01389 28.81456 10.26721 -0.2756596     15.80345 
1 1 1 -18 23 30 o 38.26714 7.959347 83.87519       28.84069 83.87519       28.84069 0.000000       0.000000 38.26714 7.959347 ?        ?        ?              ?        
1 1 1 -18 23 31 f 23.09097 7.391559 29.68011       18.88862 51.12114       26.30357 6.851808       27.14119 29.35762 8.601667 19.02463 8.154575 10.33299       11.85267 
1 1 1 -18 23 32 f 23.03443 7.564314 29.51064       19.70882 54.84000       28.44320 6.116941       27.33480 30.15502 8.973326 18.91886 8.147441 11.23616       12.12029 
1 1 1 -18 23 33 o 39.41357 5.310266 82.48746       19.96577 82.47509       28.18882 82.49993       28.28315 37.74245 7.884888 37.72854 7.911772 0.1391220E-01  11.16994 
1 1 1 -18 23 34 o 33.99354 5.986005 63.08737       19.19051 87.59546       27.32827 39.24504       26.95453 39.21590 7.390417 25.81717 8.850112 13.39873       11.53008 
1 1 1 -18 23 35 o 38.61920 5.370030 79.74853       19.75114 122.5912       28.79191 41.66579       27.14540 47.24244 6.390013 26.34777 8.883616 20.89467       10.94308 
1 1 1 -18 23 36 o 42.67469 4.900834 96.10439       20.10025 96.59915       28.16739 95.59103       28.69195 41.11715 7.264291 40.73266 7.471586 0.3844872      10.42087 
1 1 1 -18 23 37 o 21.53123 7.228992 26.10369       17.97598 23.78694       24.39983 28.85382       26.58414 21.46391 8.252334 22.87407 8.657284 -1.410151      11.96033 
1 1 1 -18 23 38 o 27.38718 6.962398 43.59770       18.70214 52.22622       25.62200 33.75801       27.36123 29.03286 8.484778 24.00882 8.842864 5.024042       12.25511 
1 1 1 -18 23 39 o 46.47442 4.761560 114.0831       21.35464 135.3308       29.83351 91.75832       30.58038 49.35069 6.320896 38.88920 8.287213 10.46148       10.42265 
1 1 1 -18 23 40 o 16.97517 6.967125 9.847698       18.52605 12.03971       24.84311 7.101618       27.80616 18.92978 7.943245 18.70964 8.136865 0.2201347      11.37118 
1 1 1 -18 23 41 o 23.47460 8.065044 32.67076       22.38796 33.63275       26.23078 30.09000       42.96340 23.80335 8.675862 24.33375 10.33971 -0.5304012     13.49741 
1 1 1 -18 23 42 o 30.05226 7.147182 53.15786       20.71572 52.41257       27.47345 54.14001       31.53827 28.61863 8.882092 28.60906 9.574867 0.9567261E-02  13.06023 
1 1 1 -18 23 43 o 14.98230 6.758060 -3.951187      20.98508 -6.698000      29.88915 -1.280861      29.47007 17.16853 7.868199 17.76235 8.010645 -0.5938187     11.22849 
1 1 1 -18 23 44 o 19.51624 7.507880 19.23721       20.20435 18.19114       26.98632 20.57146       30.47773 20.32511 8.382363 21.27194 8.852501 -0.9468250     12.19142 
1 1 1 -18 23 45 o 18.41578 7.403733 14.69964       20.42051 5.368114       26.98732 27.19882       31.23374 18.06205 7.931817 22.54469 9.123475 -4.482637      12.08931 
1 1 1 -18 23 46 o 20.28418 7.647681 22.37039       20.69964 26.50819       27.77445 17.20061       31.04532 21.93657 8.695754 20.60895 8.774326 1.327618       12.35334 
1 1 1 -18 23 47 o 18.51978 7.409779 15.96308       20.35127 7.073929       27.27522 27.12761       30.56740 18.17843 7.978747 22.13882 9.001265 -3.960388      12.02843 
1 1 1 -18 23 48 o 21.19652 7.667761 26.75201       20.43701 39.13036       27.35999 11.12762       30.73876 24.37473 8.864153 19.26986 8.463600 5.104874       12.25585 
1 1 1 -18 24 1  o 92.66444 4.695434 430.1647       42.44995 487.5000       75.44064 403.6000       51.35081 96.56863 8.054383 89.14728 5.918327 7.421349       9.994983 
1 1 1 -18 24 2  f 38.12680 4.385626 73.35413       16.06921 22.60633       32.82219 89.35272       18.42892 24.39649 9.518602 42.08246 4.546035 -17.68597      10.54847 
1 1 1 -18 24 3  o 86.86274 3.585784 374.4691       30.42209 408.1000       75.36982 367.9234       33.25113 87.67002 8.906434 85.96728 3.962201 1.702744       9.748005 
1 1 1 -18 24 4  o 32.14499 5.165274 53.07446       15.70180 43.60699       32.33340 55.99618       17.96197 28.95451 9.694883 32.85259 5.797574 -3.898075      11.29613 
1 1 1 -18 24 5  o 56.05680 3.602725 156.3604       19.66347 97.13281       35.31502 182.9734       23.67252 42.30964 8.813860 60.54111 4.017461 -18.23147      9.686286 
1 1 1 -18 24 6  f 80.58331 3.242935 321.6111       25.52711 309.4418       43.29625 328.0955       31.60463 78.08292 5.704197 81.14777 3.991190 -3.064850      6.961857 
1 1 1 -18 24 7  o 25.84138 5.953315 35.11810       14.74840 -0.1148476     30.27663 46.07941       16.88746 19.66663 8.522243 29.65619 6.023390 -9.989553      10.43599 
1 1 1 -18 24 8  o 24.28825 6.154886 31.11863       14.64839 29.28188       30.94115 31.64923       16.63016 25.37970 9.393648 24.46809 6.732839 0.9116135      11.55732 
1 1 1 -18 24 9  o 43.86602 4.092758 96.60569       17.37037 117.7351       33.90690 89.08708       20.22612 47.15474 7.604733 41.83593 5.040658 5.318810       9.123607 
1 1 1 -18 24 10 o 18.67550 6.757768 15.39253       15.87549 4.496587       29.03302 20.04000       18.96129 20.00863 8.500735 20.80512 7.402573 -0.7964878     11.27212 
1 1 1 -18 24 11 o 41.27280 4.998344 86.75851       19.78184 45.77017       31.13684 114.5000       25.61588 29.26363 9.501187 47.25850 5.649402 -17.99487      11.05388 
1 1 1 -18 24 12 o 94.13834 3.526653 440.3144       32.43897 461.6000       61.47074 432.0988       38.18945 94.59313 6.681999 92.96069 4.207900 1.632446       7.896552 
1 1 1 -18 24 13 o 35.60239 5.652483 65.68118       19.04058 77.58819       31.09727 58.54000       24.08272 37.59420 8.633121 32.91455 7.624811 4.679649       11.51818 
1 1 1 -18 24 14 o 42.45020 4.610708 91.33424       18.85080 144.4000       39.01721 75.17554       21.53041 52.00711 7.913786 38.01107 5.984412 13.99604       9.921754 
1 1 1 -18 24 15 o 27.86588 8.421702 41.95268       24.90882 51.53000       35.30482 32.46000       35.14848 30.73509 10.12565 26.52307 9.972984 4.212023       14.21229 
1 1 1 -18 24 16 o 22.65311 8.018050 24.75482       22.21976 45.77160       29.18661 -4.218000      34.26857 29.00621 9.177104 20.05746 8.867707 8.948751       12.76148 
1 1 1 -18 24 17 o 21.84587 7.927926 22.16239       21.87015 25.24881       27.86380 17.21000       35.29556 23.69913 8.886225 23.56676 9.638177 0.1323681      13.10952 
1 1 1 -18 24 18 o 47.05698 5.805510 114.6260       26.17421 121.0291       34.06706 105.4000       40.89255 47.51026 7.580121 43.00468 9.917106 4.505577       12.48228 
1 1 1 -18 24 19 o 59.02769 4.820912 176.9438       27.61184 169.6450       35.51353 188.1000       43.90634 56.97148 6.483622 59.24927 7.756835 -2.277790      10.10969 
1 1 1 -18 24 20 o 20.08940 7.136388 19.18899       17.61565 8.692287       28.05681 26.01941       22.63265 20.20553 8.457476 22.91753 8.093990 -2.712000      11.70648 
1 1 1 -18 24 21 o 20.81976 7.146139 21.68362       17.57577 -14.02044      27.29838 46.96303       22.97003 16.40584 7.518965 29.10193 7.874139 -12.69609      10.88747 
1 1 1 -18 24 22 o 78.67916 3.485675 309.5147       26.77771 278.4260       40.42626 333.8181       35.74344 73.34537 5.675105 81.13966 4.518305 -7.794289      7.254095 
1 1 1 -18 24 23 o 25.25916 8.161997 34.90555       22.99425 118.7000       59.40499 20.13826       24.93823 42.33015 13.04779 21.60226 8.333101 20.72789       15.48177 
1 1 1 -18 24 24 o 25.69918 8.229650 36.65843       23.41312 40.72000       57.29107 35.84410       25.65309 29.36037 12.17086 25.56180 8.635968 3.798571       14.92346 
1 1 1 -18 24 25 o 49.31418 5.560446 127.6022       26.37291 107.0000       59.56259 132.6262       29.41330 39.32998 13.15825 49.92452 6.148743 -10.59454      14.52400 
1 1 1 -18 24 26 o 45.10312 6.106709 108.6494       26.26806 29.89000       58.23068 128.7712       29.43293 27.66959 11.90349 49.04429 6.274640 -21.37470      13.45601 
1 1 1 -18 24 27 o 16.23015 7.310957 -6.369803      24.46338 -77.47000      54.62480 11.46797       27.36054 18.28828 8.967229 20.03896 8.367212 -1.750681      12.26464 
1 1 1 -18 24 28 o 45.89392 8.032881 119.9072       34.77163 70.63000       56.82608 149.4000       43.96249 32.68071 12.58630 50.21074 9.286963 -17.53003      15.64169 
1 1 1 -18 24 29 o 19.73023 8.042318 13.82602       24.47513 -34.15000      53.41305 26.57676       27.53613 20.59209 9.780359 23.04465 8.789954 -2.452553      13.14986 
1 1 1 -18 24 30 f 30.35817 6.654587 51.33038       19.22771 44.78988       26.68752 58.39000       27.72638 27.52595 8.783298 31.24944 8.729795 -3.723494      12.38369 
1 1 1 -18 24 31 o 19.78889 7.421174 18.76572       19.43506 42.50000       28.56423 -1.693160      26.52011 26.80667 9.112331 17.41642 7.745028 9.390247       11.95910 
1 1 1 -18 24 32 f 30.33323 6.685956 51.68983       19.31564 32.56785       26.48913 73.40231       28.22643 24.12176 8.729090 35.16692 8.329175 -11.04516      12.06533 
1 1 1 -18 24 33 o 27.39801 6.920092 42.81374       18.56039 39.52024       25.95605 46.25990       26.55077 25.83453 8.686724 27.65789 8.753209 -1.823359      12.33198 
1 1 1 -18 24 34 o 14.58695 6.352309 0.5820954      16.99416 -10.07650      23.89701 11.48750       24.17210 15.26812 7.011387 18.92640 7.880654 -3.658282      10.54819 
1 1 1 -18 24 35 o 19.75096 7.173108 20.21848       17.90846 36.11617       24.78986 2.865968       25.89932 24.72001 8.486874 17.72603 7.777702 6.993982       11.51172 
1 1 1 -18 24 36 o 24.77032 7.185897 35.86827       18.43832 34.73093       25.25962 37.16547       26.97640 24.21302 8.550896 24.86066 8.831234 -0.6476364     12.29262 
1 1 1 -18 24 37 o 12.55593 5.830013 -10.80658      17.19835 -8.457954      23.42602 -13.55241      25.32965 15.18154 6.960622 15.12628 7.041028 0.5525398E-01  9.900826 
1 1 1 -18 24 38 o 16.92797 6.884034 10.37606       17.88309 7.243838       24.23918 14.11747       26.49168 17.89067 7.688035 19.64560 8.220305 -1.754927      11.25519 
1 1 1 -18 24 39 o 30.66637 6.732853 54.10221       19.65515 57.85834       26.64889 49.62133       29.10658 30.38236 8.583814 27.80445 9.195393 2.577906       12.57923 
1 1 1 -18 24 40 o 29.18835 7.719603 51.49025       22.39019 62.68220       26.83078 25.82000       40.63455 31.66517 8.485309 23.46965 10.01675 8.195517       13.12767 
1 1 1 -18 24 41 o 14.77160 6.558720 -1.119360      18.94404 16.39636       24.91992 -25.10018      29.15846 19.70086 8.082543 14.96707 7.141707 4.733787       10.78571 
1 1 1 -18 24 42 o 18.87438 7.562000 15.75494       21.22588 8.775000       29.69075 23.05126       30.35618 19.24267 8.387828 21.77449 8.925576 -2.531824      12.24833 
1 1 1 -18 24 43 o 11.81870 5.672915 -21.65305      18.99946 -13.69902      24.88567 -32.76823      29.41807 14.84092 6.931698 14.30303 6.913772 0.5378914      9.790235 
1 1 1 -18 24 44 o 49.60048 4.894578 131.3450       23.45396 160.1217       32.30519 99.27103       34.10583 53.41759 6.299496 39.29554 9.053381 14.12205       11.02939 
1 1 1 -18 24 45 o 23.66491 7.659492 34.10175       20.24492 38.18562       26.88669 28.75477       30.76489 24.55347 8.806033 22.61537 9.089108 1.938099       12.65536 
1 1 1 -18 24 46 o 12.41696 5.887655 -16.52851      19.19841 -9.128376      25.28850 -26.59585      29.49582 15.37649 7.115250 14.71749 7.065363 0.6590004      10.02727 
1 1 1 -18 24 47 o 21.77308 7.604706 28.76039       19.94101 24.76852       26.15668 34.30029       30.81385 21.07706 8.411321 23.30033 9.183331 -2.223270      12.45327 
1 1 1 -18 25 1  o 64.86433 3.476873 209.1645       21.99435 148.8540       39.83183 235.6197       26.38083 52.92541 7.932947 68.70720 3.939164 -15.78179      8.857125 
1 1 1 -18 25 2  o 80.88020 3.308637 324.4513       26.13844 274.2670       45.24564 349.5892       32.02265 73.02658 6.394241 83.73978 3.917642 -10.71320      7.498949 
1 1 1 -18 25 3  o 74.51646 3.676114 276.3636       26.73035 265.0000       69.46284 278.3389       28.96050 68.98463 10.62792 74.67766 3.976285 -5.693024      11.34740 
1 1 1 -18 25 4  o 54.21006 5.160761 149.1883       27.05420 106.2789       37.97765 193.4000       38.54960 43.99890 9.118070 61.15948 6.540911 -17.16058      11.22153 
1 1 1 -18 25 5  o 77.94895 3.305458 301.4377       25.16293 268.8180       42.75599 318.7228       31.12376 72.43738 6.086386 79.91218 3.991627 -7.474800      7.278543 
1 1 1 -18 25 6  o 29.73061 5.577370 46.05446       15.63474 -15.75873      32.08529 65.30226       17.90424 18.00215 8.212992 35.63177 5.294147 -17.62962      9.771449 
1 1 1 -18 25 7  o 27.76908 5.934087 40.59050       15.64005 8.812869       32.28519 50.33469       17.87787 21.58823 9.056741 30.94101 6.119891 -9.352776      10.93058 
1 1 1 -18 25 8  o 57.75686 3.724658 166.4876       20.94472 147.2674       37.57986 175.1481       25.22593 52.78088 7.483563 59.02450 4.397858 -6.243626      8.680142 
1 1 1 -18 25 9  o 43.26733 4.759416 95.04370       19.82424 84.43839       33.81007 100.6000       24.47243 39.06672 9.023492 44.15746 5.802209 -5.090744      10.72796 
1 1 1 -18 25 10 o 54.07639 4.296634 147.0450       22.55586 120.4605       35.76615 164.6000       29.06426 47.37075 7.998056 56.85682 5.282835 -9.486065      9.585262 
1 1 1 -18 25 11 o 47.84097 4.141163 115.0780       19.20149 112.6825       35.50176 116.0685       22.82868 45.63572 8.251289 47.77893 4.953095 -2.143215      9.623769 
1 1 1 -18 25 12 o 18.83896 6.753470 16.12154       15.81164 -5.126415      31.41940 23.32768       18.29746 19.12391 8.471243 21.63162 7.293519 -2.507708      11.17843 
1 1 1 -18 25 13 o 30.65500 6.049637 49.55188       17.50769 95.37000       38.21734 37.38240       19.69599 41.12302 9.659775 26.34599 7.356966 14.77703       12.14233 
1 1 1 -18 25 14 o 18.56080 6.910566 14.55933       16.79142 37.71000       34.28242 7.252565       19.25982 27.38608 9.927682 17.37749 7.114787 10.00859       12.21389 
1 1 1 -18 25 15 o 24.56576 7.385411 32.22934       19.19227 44.31791       30.82939 24.58000       24.52390 28.59750 9.463848 22.92568 8.383726 5.671818       12.64323 
1 1 1 -18 25 16 o 13.92116 6.537249 -20.70915      22.64142 -18.07027      30.00259 -24.20000      34.50760 16.90421 7.796550 17.64659 8.215551 -0.7423744     11.32614 
1 1 1 -18 25 17 o 37.63168 7.217581 76.32986       25.61899 48.14927       33.52240 115.9000       39.72317 29.55661 9.871090 45.41943 9.249648 -15.86282      13.52754 
1 1 1 -18 25 18 o 81.99653 4.371473 339.2180       34.95884 315.0349       44.91089 376.4000       55.68798 78.04285 5.923357 84.65466 6.777104 -6.611809      9.000850 
1 1 1 -18 25 19 o 45.73709 6.047661 109.7425       26.41176 127.8600       34.41481 83.78000       41.19727 48.62084 7.469886 37.44643 10.70393 11.17440       13.05272 
1 1 1 -18 25 20 o 18.01854 7.134091 11.30529       18.67340 -4.691301      28.84182 22.85013       24.50207 18.11442 8.064871 22.23485 8.333825 -4.120422      11.59719 
1 1 1 -18 25 21 o 29.12605 6.765054 46.39857       18.91677 59.46104       29.98727 37.76467       24.37967 32.03080 9.124563 26.12641 8.400893 5.904398       12.40293 
1 1 1 -18 25 22 o 15.40053 6.564304 2.379273       17.41062 -5.129297      26.48692 8.091913       23.10315 17.20718 7.690236 18.46441 7.697631 -1.257231      10.88087 
1 1 1 -18 25 23 o 38.50766 6.678859 80.62596       24.26203 118.3000       60.26763 73.33949       26.50462 41.32422 13.20054 36.09788 7.734012 5.226345       15.29932 
1 1 1 -18 25 24 o 18.66958 7.761051 9.319700       23.38911 -8.776000      54.78754 13.35260       25.86444 23.18504 10.63562 20.09867 8.238741 3.086363       13.45337 
1 1 1 -18 25 25 o 20.71766 8.147889 18.13279       24.21105 -2.288000      56.31208 22.76363       26.81608 23.93847 10.90556 22.22298 8.622530 1.715488       13.90249 
1 1 1 -18 25 26 o 18.77357 7.902452 8.504506       24.70961 -30.68000      56.43764 17.79693       27.48377 21.50510 10.16656 21.22751 8.569804 0.2775822      13.29663 
1 1 1 -18 25 27 o 26.71210 11.56572 27.66000       55.66974 27.66000       55.66974 0.000000       0.000000 26.71210 11.56572 ?        ?        ?              ?        
1 1 1 -18 25 28 o 38.01855 7.450323 81.85372       26.73347 -36.09000      54.48336 119.2543       30.68073 20.57816 9.803239 46.43202 6.965206 -25.85386      12.02571 
1 1 1 -18 25 29 o 31.77045 6.503950 55.92574       19.54426 31.37433       26.59018 84.77612       28.82430 23.96727 8.735174 38.31616 7.946383 -14.34889      11.80882 
1 1 1 -18 25 30 f 37.48540 6.009657 76.29340       21.30568 101.7000       32.48376 57.11233       28.22471 41.73241 8.244719 30.67383 8.888374 11.05859       12.12347 
1 1 1 -18 25 31 o 14.35810 6.353671 -1.965894      17.63081 4.013193       24.30811 -8.602732      25.61028 17.62564 7.636998 16.06604 7.332731 1.559601       10.58738 
1 1 1 -18 25 32 o 32.50650 6.363084 58.79101       19.52117 77.36104       28.15618 41.60205       27.08895 36.11386 8.158281 26.30649 8.874379 9.807371       12.05455 
1 1 1 -18 25 33 o 14.27531 6.332149 -2.122654      17.61467 5.061375       24.56484 -9.726271      25.27202 17.79469 7.693743 15.73871 7.221126 2.055981       10.55170 
1 1 1 -18 25 34 o 13.35031 6.066036 -6.323667      17.28032 -12.99594      23.83154 1.073878       25.09338 14.78072 6.862961 17.18669 7.593851 -2.405962      10.23557 
1 1 1 -18 25 35 o 42.21246 4.980372 94.82591       20.18255 105.8179       28.54654 83.84029       28.53834 43.03777 7.017992 37.38171 8.038451 5.656055       10.67094 
1 1 1 -18 25 36 o 35.14254 5.796918 68.01932       19.24587 74.70038       26.67153 60.76146       27.79900 35.24611 7.924010 31.01914 8.768245 4.226963       11.81829 
1 1 1 -18 25 37 o 23.75498 7.305072 33.18796       18.63405 42.83371       26.08366 23.13397       26.62989 26.22212 8.705968 21.45081 8.511011 4.771309       12.17502 
1 1 1 -18 25 38 o 25.95179 7.237704 39.90607       19.07559 42.89568       26.53395 36.70813       27.44293 26.15986 8.782785 24.56166 8.885325 1.598200       12.49345 
1 1 1 -18 25 39 o 37.77446 6.586041 81.09240       23.46678 83.17059       28.36037 76.58000       41.79005 37.02279 8.055461 32.42809 11.02188 4.594696       13.65182 
1 1 1 -18 25 40 o 17.88453 7.137974 13.64888       18.83855 35.91196       25.44794 -13.34390      28.02101 24.25715 8.581225 15.85437 7.388558 8.402776       11.32379 
1 1 1 -18 25 41 o 13.68322 6.337222 -10.45690      20.12539 4.468000       27.88041 -26.69455      29.08071 18.17024 8.017485 14.76915 7.070306 3.401090       10.68968 
1 1 1 -18 25 42 o 29.04468 7.137578 50.13756       20.14482 50.87819       26.58965 49.13968       30.86394 28.10177 8.740705 27.20838 9.463631 0.8933926      12.88256 
1 1 1 -18 25 43 o 32.73819 6.670993 62.02945       20.65083 54.14908       27.27448 72.61610       31.61278 28.87000 8.830432 33.01391 9.356624 -4.143908      12.86557 
1 1 1 -18 25 44 o 21.63232 7.610844 27.47692       19.99688 9.109536       26.16087 53.29148       31.01423 18.35750 7.938417 27.96695 9.495237 -9.609449      12.37651 
1 1 1 -18 25 45 o 12.65742 5.943302 -13.14107      18.70717 -29.80291      24.34254 10.89408       29.23667 12.85100 6.230322 19.13327 8.332035 -6.282270      10.40383 
1 1 1 -18 25 46 o 17.88496 7.130224 15.04197       18.77693 17.39301       24.45870 11.66767       29.30186 19.33599 7.977865 19.10102 8.329288 0.2349739      11.53358 
1 1 1 -18 25 47 o 24.26271 7.995021 38.01866       22.00997 22.28897       25.42625 85.04000       43.96123 20.33065 8.230176 31.83990 11.27726 -11.50926      13.96110 
1 1 1 -18 26 1  o 57.19192 3.675014 163.2609       20.46423 110.9336       39.42195 182.5630       23.94291 44.73113 9.307099 60.35916 4.076454 -15.62803      10.16069 
1 1 1 -18 26 2  o 41.12566 4.420954 85.57835       17.51739 74.54138       37.03656 88.75890       19.88183 36.27871 10.07283 41.71723 4.966327 -5.438519      11.23060 
1 1 1 -18 26 3  o 47.10409 4.161193 111.6136       18.98882 66.32615       38.45031 126.2216       21.83764 34.25365 10.48608 49.99909 4.510530 -15.74543      11.41502 
1 1 1 -18 26 4  o 58.69953 3.699413 172.0132       21.14750 150.3314       39.76907 180.5612       24.97058 53.04811 7.899544 59.94833 4.283679 -6.900215      8.986250 
1 1 1 -18 26 5  o 47.02067 4.066109 111.1083       18.53060 118.2961       37.01175 108.7038       21.40684 46.68499 8.408679 46.27142 4.795891 0.4135666      9.680209 
1 1 1 -18 26 6  o 13.38348 5.790558 -0.8507664     13.93432 -23.80095      32.66749 4.253622       15.40616 17.20601 8.004721 15.26959 6.318892 1.936419       10.19823 
1 1 1 -18 26 7  o 39.03141 5.232692 78.25206       19.48833 61.42273       34.29252 86.28000       23.68471 33.07799 9.855280 40.67617 6.139698 -7.598183      11.61131 
1 1 1 -18 26 8  o 34.56597 5.727181 62.24783       18.69948 47.84268       33.28687 68.89000       22.60315 29.68777 9.834149 36.05721 6.649194 -6.369446      11.87107 
1 1 1 -18 26 9  o 19.00104 6.606657 17.19044       15.04113 12.99035       31.80722 18.40019       17.07037 22.06266 9.099784 19.81687 7.026510 2.245787       11.49687 
1 1 1 -18 26 10 o 44.56378 4.348938 100.4348       18.72906 80.00887       35.25720 108.4647       22.10601 37.58492 9.562057 46.10366 4.977366 -8.518742      10.77994 
1 1 1 -18 26 11 o 35.78576 5.562601 66.56096       18.85209 64.04000       42.20341 67.18938       21.07118 33.48444 11.07252 35.69632 6.258646 -2.211884      12.71894 
1 1 1 -18 26 12 o 27.62937 6.717763 41.08357       17.98932 63.44000       40.63443 35.63372       20.06250 33.29506 10.85708 25.69623 7.507586 7.598835       13.20000 
1 1 1 -18 26 13 o 30.96977 6.147575 50.86770       17.97814 14.76389       33.31650 65.69941       21.35396 22.61850 9.319506 35.18714 6.437089 -12.56864      11.32649 
1 1 1 -18 26 14 o 81.09454 3.481549 327.9145       27.57132 304.7615       45.41137 341.4323       34.69877 76.72601 6.096761 82.34544 4.320063 -5.619431      7.472178 
1 1 1 -18 26 15 o 43.72940 5.067730 98.26003       21.29057 48.85000       44.23934 113.1533       24.28825 30.24075 11.22501 46.81960 5.398570 -16.57884      12.45574 
1 1 1 -18 26 16 o 25.59622 7.119280 35.69637       18.48351 22.63749       33.84585 41.24609       22.06421 23.95531 9.565380 27.33606 7.839700 -3.380753      12.36759 
1 1 1 -18 26 17 o 55.08155 7.201643 162.8913       37.89888 162.8913       37.89888 0.000000       0.000000 55.08155 7.201643 ?        ?        ?              ?        
1 1 1 -18 26 18 o 60.94483 5.012761 190.6480       29.63927 192.5710       38.64211 187.9000       46.19417 60.20831 6.668561 58.23338 8.342155 1.974930       10.67995 
1 1 1 -18 26 19 o 35.01082 7.651575 68.29720       25.48760 23.37445       32.31867 142.2000       41.45250 23.57226 9.368562 50.09877 8.772605 -26.52651      12.83466 
1 1 1 -18 26 20 o 60.51142 4.985497 188.6887       29.26750 184.7465       37.30468 195.0000       47.20097 58.79570 6.595612 58.94555 8.419713 -0.1498566     10.69550 
1 1 1 -18 26 21 o 24.67123 7.429293 33.85751       19.40938 19.05205       30.06500 44.43753       25.41519 22.13653 8.953729 27.80895 8.527596 -5.672417      12.36484 
1 1 1 -18 26 22 o 31.16261 6.671278 53.51343       19.73527 65.76979       30.52095 44.70678       25.87156 33.25859 9.108979 27.79573 8.618036 5.462860       12.53970 
1 1 1 -18 26 23 o 20.86840 8.122567 19.11402       23.85488 10.86000       55.86613 20.95456       26.38080 25.14202 11.20706 21.74406 8.519035 3.397963       14.07736 
1 1 1 -18 26 24 o 51.29810 5.728503 139.4768       28.27356 98.95000       60.99882 150.5661       31.90816 37.06897 13.26756 52.92131 6.282202 -15.85234      14.67972 
1 1 1 -18 26 25 o 43.80511 8.763342 112.7643       36.26199 90.35000       61.34940 124.8000       44.95560 35.41036 13.20423 44.53421 10.48742 -9.123848      16.86231 
1 1 1 -18 26 26 o 61.86096 6.564262 207.8501       39.14143 176.5000       64.98332 225.7000       49.03424 49.78210 13.14426 62.87648 8.159429 -13.09438      15.47087 
1 1 1 -18 26 27 o 32.66898 7.657011 61.48457       24.05577 28.05889       28.50486 144.2000       44.84067 23.38529 8.937527 48.52343 9.779150 -25.13815      13.24806 
1 1 1 -18 26 28 o 45.27661 5.221550 108.2191       22.71748 58.16000       34.16179 147.9071       30.41788 30.41418 9.957235 52.39711 6.041303 -21.98292      11.64663 
1 1 1 -18 26 29 o 21.01626 7.588374 23.16878       20.00432 52.63000       29.51255 -1.871861      27.20848 29.21087 9.226463 17.49382 7.807958 11.71706       12.08685 
1 1 1 -18 26 30 o 19.80239 7.227813 19.92216       18.21472 18.79692       25.15784 21.16188       26.40650 20.67591 8.249846 21.39174 8.479187 -0.7158318     11.83032 
1 1 1 -18 26 31 o 16.30029 6.783026 7.109344       17.89177 -20.62164      23.94978 42.13083       26.91449 13.96249 6.607337 26.39289 8.845362 -12.43040      11.04071 
1 1 1 -18 26 32 o 18.12343 7.009013 14.69795       17.67565 16.58648       24.08397 12.49312       26.02275 19.87264 8.022462 19.43774 8.141237 0.4348965      11.42977 
1 1 1 -18 26 33 o 21.90835 7.163274 27.31650       17.68276 20.49073       24.22899 35.09554       25.86557 20.66156 8.143232 24.33705 8.647268 -3.675493      11.87803 
1 1 1 -18 26 34 o 19.27402 7.074214 19.22617       17.48590 0.7638870      23.62771 41.58141       25.99973 16.63232 7.357893 25.94758 8.693713 -9.315262      11.38944 
1 1 1 -18 26 35 o 15.37883 6.620999 3.432335       18.04173 37.92863       25.03531 -33.83977      26.02308 24.90152 8.529432 13.22866 6.420059 11.67286       10.67560 
1 1 1 -18 26 36 o 22.21300 7.372810 28.53454       18.70717 27.13798       26.10399 30.00904       26.82251 22.26178 8.541651 22.97931 8.696261 -0.7175350     12.18954 
1 1 1 -18 26 37 o 10.50496 5.140906 -29.31973      17.69147 -31.71815      24.79228 -26.83130      25.25312 12.98078 6.291909 13.59006 6.527609 -0.6092863     9.066300 
1 1 1 -18 26 38 o 26.26015 7.869828 42.12130       21.81822 48.13342       27.20337 31.28000       36.52998 27.42749 8.878901 23.84539 9.784713 3.582098       13.21270 
1 1 1 -18 26 39 o 18.76427 7.310581 16.79542       19.33854 20.84492       26.71012 12.33401       28.03566 20.83595 8.435159 19.46733 8.314717 1.368622       11.84426 
1 1 1 -18 26 40 o 22.19498 7.845484 28.71377       21.26784 45.87000       31.75009 14.75036       28.64374 26.47956 9.560160 19.97408 8.463025 6.505474       12.76791 
1 1 1 -18 26 41 o 11.49308 5.536679 -22.54482      18.48172 -33.51864      24.31154 -7.519894      28.44721 12.59838 6.134900 16.57663 7.626016 -3.978251      9.787395 
1 1 1 -18 26 42 o 25.41931 7.468015 39.22771       19.80409 20.39189       26.38112 63.54763       29.97657 20.57129 8.362846 30.90845 9.215553 -10.33717      12.44442 
1 1 1 -18 26 43 o 14.69386 6.534202 -0.6755330     18.87537 3.850598       24.75741 -6.958677      29.16958 17.14284 7.560009 16.73003 7.705885 0.4128075      10.79511 
1 1 1 -18 26 44 o 21.13176 7.507345 26.25139       19.49501 23.56549       25.77208 29.84390       29.80595 20.91812 8.348799 22.53638 8.983825 -1.618259      12.26424 
1 1 1 -18 26 45 o 31.17472 6.627391 57.47102       19.59982 61.01067       25.91105 52.73695       29.96555 30.49170 8.409535 27.43300 9.333052 3.058699       12.56289 
1 1 1 -18 26 46 o 17.51265 7.296572 12.29962       20.74070 8.260393       23.85281 24.82000       41.99519 17.37264 7.546016 22.22019 9.820599 -4.847549      12.38493 
1 1 1 -18 27 1  o 39.80180 4.918876 81.07875       18.75612 67.28000       58.18787 82.67870       19.81368 34.62911 12.86984 40.10984 5.166579 -5.480736      13.86818 
1 1 1 -18 27 2  o 54.18341 3.823697 147.1324       20.14921 86.10266       38.38883 170.3386       23.67205 38.73641 10.04225 58.18838 4.184104 -19.45197      10.87904 
1 1 1 -18 27 3  o 56.08553 3.868915 157.6943       21.10945 100.6531       39.61335 180.3160       24.94657 42.05214 9.805131 59.83293 4.287987 -17.78079      10.70175 
1 1 1 -18 27 4  f 47.83748 4.155638 115.3635       19.26576 48.39732       37.04624 140.1882       22.55579 29.89360 10.36989 52.67205 4.415537 -22.77845      11.27083 
1 1 1 -18 27 5  o 55.02567 3.888805 151.8826       20.81043 117.7633       38.67130 165.7909       24.69032 46.09925 8.892385 57.29588 4.437029 -11.19663      9.937894 
1 1 1 -18 27 6  o 30.31345 6.467957 49.08127       18.60634 42.35990       35.38439 51.65000       21.87472 28.42238 10.11245 30.81721 7.354387 -2.394831      12.50395 
1 1 1 -18 27 7  o 25.06054 6.946534 33.80312       17.63034 47.93307       35.25188 29.09000       20.35946 29.63549 10.12206 23.59752 7.684424 6.037970       12.70852 
1 1 1 -18 27 8  o 40.65740 4.659785 84.29906       18.20965 42.21354       35.16856 99.71515       21.28508 28.32708 10.08125 44.12571 5.017056 -15.79863      11.26066 
1 1 1 -18 27 9  o 36.87247 5.190368 70.21469       18.21521 51.90411       36.48589 76.29353       21.02248 30.54679 10.29922 38.22707 5.800200 -7.680281      11.82016 
1 1 1 -18 27 10 o 48.55039 4.399654 119.4219       20.68149 102.3000       46.40081 123.6666       23.10328 41.39119 11.18807 49.23277 4.857380 -7.841572      12.19701 
1 1 1 -18 27 11 o 34.65235 8.834989 67.82066       30.05411 31.10000       43.99517 99.95000       41.15291 27.13780 10.88209 41.39789 10.21853 -14.26009      14.92776 
1 1 1 -18 27 12 o 73.11359 3.608695 267.4363       25.74604 232.0684       42.83575 287.4390       32.21403 66.36407 6.685286 75.42069 4.382512 -9.056618      7.993713 
1 1 1 -18 27 13 f 26.17021 6.828779 37.29346       17.67461 59.50124       33.73555 28.89142       20.75046 32.05666 9.823799 23.41997 7.764744 8.636688       12.52191 
1 1 1 -18 27 14 o 61.56622 3.927369 190.9098       23.54400 164.5243       40.23300 204.6512       29.03457 55.00584 7.681741 63.36332 4.715150 -8.357479      9.013422 
1 1 1 -18 27 15 f 58.62214 3.967225 173.4370       22.63023 167.6732       38.79580 176.4097       27.86134 55.71491 7.288476 58.66755 4.896349 -2.952641      8.780439 
1 1 1 -18 27 16 o 13.70416 6.119116 -4.711899      16.72971 -50.10711      31.18516 13.63171       19.82373 14.09061 6.880576 18.85323 7.385291 -4.762622      10.09380 
1 1 1 -18 27 17 o 34.30764 6.463944 63.66738       20.91068 92.69000       40.56140 53.16188       24.40355 39.00295 10.42464 30.60085 8.043174 8.402100       13.16685 
1 1 1 -18 27 18 o 35.09845 9.600237 73.74091       33.92750 73.74091       33.92750 0.000000       0.000000 35.09845 9.600237 ?        ?        ?              ?        
1 1 1 -18 27 19 o 34.13134 9.629251 70.40690       33.56000 70.40690       33.56000 0.000000       0.000000 34.13134 9.629251 ?        ?        ?              ?        
1 1 1 -18 27 20 o 63.00529 4.935270 205.3793       30.19373 164.7245       37.82337 276.8000       50.13210 54.73460 7.236950 71.02272 7.315815 -16.28812      10.29051 
1 1 1 -18 27 21 o 17.34028 7.505865 2.596922       23.43332 -13.80651      29.28597 31.79000       39.06899 16.74216 7.714998 25.58784 10.25675 -8.845682      12.83441 
1 1 1 -18 27 22 o 14.94561 6.616904 -2.503687      19.14488 -21.69053      28.33504 13.61298       25.96927 15.51073 7.292948 20.04972 8.241060 -4.538989      11.00464 
1 1 1 -18 27 23 f 37.03932 6.092729 74.32926       21.32188 55.81302       30.70172 91.58000       29.63399 30.28096 9.388038 40.02069 7.845407 -9.739731      12.23461 
1 1 1 -18 27 24 o 24.90409 11.16528 11.63000       56.30893 11.63000       56.30893 0.000000       0.000000 24.90409 11.16528 ?        ?        ?              ?        
1 1 1 -18 27 25 o 53.34293 7.066606 157.7936       35.99048 175.9000       60.35022 147.8000       44.83584 50.65748 12.29657 49.24547 9.646729 1.412010       15.62898 
1 1 1 -18 27 26 o 49.91961 5.782969 133.3733       27.73504 33.05000       56.54573 165.1550       31.82641 27.04171 11.68233 55.46198 5.955738 -28.42027      13.11288 
1 1 1 -18 27 27 o 20.47039 7.631892 20.91867       20.49325 32.86000       31.15109 11.80732       27.21060 24.52443 9.350411 19.75537 8.302858 4.769062       12.50470 
1 1 1 -18 27 28 o 24.45140 7.409948 34.43924       19.26498 2.657846       27.86259 63.55027       26.66636 18.31393 8.050358 32.55758 8.333464 -14.24365      11.58684 
1 1 1 -18 27 29 o 19.04696 7.225803 17.26971       18.54553 -6.896828      26.66881 39.89974       25.80709 16.54196 7.523901 25.81816 8.661587 -9.276203      11.47311 
1 1 1 -18 27 30 o 28.47244 6.977283 46.61137       19.29092 52.65189       27.17501 40.47525       27.38922 29.20679 8.789797 25.90941 8.919792 3.297386       12.52291 
1 1 1 -18 27 31 o 18.31548 7.136866 14.98429       18.43275 44.72489       26.35239 -13.50559      25.79232 26.92996 8.740582 15.33734 7.127658 11.59262       11.27835 
1 1 1 -18 27 32 o 19.73036 7.313546 20.20172       18.76785 30.95763       26.47238 9.332328       26.61166 23.24454 8.672513 18.82738 8.072423 4.417152       11.84806 
1 1 1 -18 27 33 o 19.20664 7.298436 18.33807       18.93926 -3.307276      27.57389 37.66979       26.05861 17.07564 7.720312 24.85231 8.692388 -7.776670      11.62587 
1 1 1 -18 27 34 o 11.76421 5.616294 -19.19454      18.08103 -0.1327570     26.60530 -35.55435      24.64765 17.22853 7.703048 12.60727 6.147646 4.621253       9.855481 
1 1 1 -18 27 35 o 20.19480 7.419385 21.84476       19.24140 16.62997       27.87980 26.58784       26.58895 20.30159 8.459192 22.15110 8.588335 -1.849508      12.05477 
1 1 1 -18 27 36 o 23.85584 7.488275 33.98532       19.46904 22.50950       27.95435 44.79498       27.13087 21.34859 8.634191 26.50556 8.880816 -5.156977      12.38621 
1 1 1 -18 27 37 f 19.76454 7.688047 19.50383       21.36026 19.90435       27.20480 18.86000       34.49175 20.70814 8.464518 21.55686 9.215254 -0.8487263     12.51275 
1 1 1 -18 27 38 f 13.96245 6.347051 -5.662059      18.94506 -21.42729      26.61714 10.52527       26.97110 14.52576 6.900569 18.92338 8.120407 -4.397617      10.65640 
1 1 1 -18 27 39 o 19.01365 7.525012 16.95217       20.76806 -1.887000      31.11536 32.08770       27.88964 17.97452 8.156382 23.29719 8.855754 -5.322668      12.03956 
1 1 1 -18 27 40 o 18.44156 7.240129 16.08388       19.08810 4.545327       25.54992 30.65914       28.71589 17.52034 7.705007 22.91846 8.914263 -5.398121      11.78267 
1 1 1 -18 27 41 o 17.62799 7.141543 12.78183       19.16133 -6.872044      25.69712 37.39442       28.75670 15.88008 7.284363 24.39313 9.050895 -8.513052      11.61812 
1 1 1 -18 27 42 o 24.31756 7.584067 36.36162       20.00356 82.97012       27.05814 -19.81309      29.70543 36.82441 7.752389 15.43496 7.320130 21.38945       10.66226 
1 1 1 -18 27 43 o 17.85549 7.445643 12.22211       21.62323 16.97251       25.38008 -0.3561000     41.29879 19.48220 8.090537 19.70819 9.110209 -0.2259903     12.18412 
1 1 1 -18 27 44 o 23.20354 7.873193 33.98848       21.32283 42.39523       24.72752 9.610000       42.10852 25.31338 8.478307 20.63168 9.411162 4.681700       12.66695 
1 1 1 -18 27 45 o 29.35724 7.566595 54.45552       21.88012 74.18925       25.17813 -6.417000      44.22109 34.35035 7.681275 19.22450 9.061262 15.12585       11.87891 
1 1 1 -18 28 1  o 54.41163 3.728744 148.4884       19.73911 67.25000       58.35343 158.9852       20.97562 34.22369 12.85398 56.27296 3.830949 -22.04927      13.41271 
1 1 1 -18 28 2  o 55.33485 3.654551 153.4111       19.68342 215.7000       62.75605 146.6148       20.72945 60.75269 10.95619 53.98482 3.950270 6.767872       11.64657 
1 1 1 -18 28 3  o 56.26753 3.640549 158.5948       19.94314 146.5000       60.52048 160.0681       21.12294 48.40760 12.63872 56.45483 3.845452 -8.047230      13.21078 
1 1 1 -18 28 4  o 25.45436 6.961376 35.13210       17.84076 25.97000       56.83226 36.13368       18.79064 28.18956 11.93135 25.77782 7.181316 2.411737       13.92582 
1 1 1 -18 28 5  o 26.86166 6.986759 39.27574       18.54122 49.54388       34.02834 34.94000       22.11192 29.74811 9.945498 25.41028 7.980951 4.337830       12.75180 
1 1 1 -18 28 6  o 22.60273 6.728329 27.28499       15.98918 -47.56281      34.19388 48.23047       18.08857 15.34413 7.425920 29.97881 6.361463 -14.63469      9.778165 
1 1 1 -18 28 7  o 44.48967 6.485634 104.9234       27.41294 59.53721       38.03195 154.0000       39.54799 32.02886 10.50729 53.20052 7.828396 -21.17166      13.10294 
1 1 1 -18 28 8  o 86.53423 3.682088 375.0672       31.11677 370.6000       64.06089 376.4467       35.59844 82.59454 8.024869 86.38343 4.222915 -3.788887      9.068160 
1 1 1 -18 28 9  o 23.02699 7.129735 28.41350       17.71424 20.37000       43.67091 29.99758       19.38021 25.19961 10.54998 23.64261 7.477877 1.556995       12.93139 
1 1 1 -18 28 10 o 33.41915 5.735714 59.00454       18.08699 11.73289       34.90499 76.35652       21.14763 22.16668 9.364797 38.05572 5.865410 -15.88903      11.05000 
1 1 1 -18 28 11 f 40.96062 4.908125 86.56178       19.28696 77.30584       36.22729 90.22298       22.78435 36.10934 9.937740 41.43715 5.774078 -5.327805      11.49342 
1 1 1 -18 28 12 o 18.70394 7.016484 15.29323       17.37605 29.71143       33.97407 10.18565       20.22086 25.07585 9.711954 18.12970 7.339404 6.946146       12.17329 
1 1 1 -18 28 13 o 12.52305 5.779202 -10.93260      16.51913 -21.23015      32.76798 -7.423847      19.12753 17.13868 7.988029 14.22051 6.429690 2.918174       10.25424 
1 1 1 -18 28 14 o 27.92787 6.748896 42.93932       18.24199 4.335815       33.71317 58.92086       21.69180 20.55944 8.950225 32.70316 6.988482 -12.14372      11.35541 
1 1 1 -18 28 15 o 33.09521 6.051681 58.90997       18.88193 36.49762       34.82948 68.23864       22.47052 26.28453 9.917976 35.32297 6.744970 -9.038443      11.99420 
1 1 1 -18 28 16 o 39.73931 5.112999 82.57421       19.42816 76.60763       35.11997 85.20530       23.32166 35.49165 9.791329 39.81561 6.184730 -4.323963      11.58106 
1 1 1 -18 28 17 o 18.46881 7.158917 14.08436       18.47133 23.12187       31.09243 9.155084       22.96265 22.98902 9.171877 18.48725 7.688005 4.501770       11.96782 
1 1 1 -18 28 18 o 40.14781 6.842501 88.51772       25.92620 84.80939       33.14846 94.36000       41.60686 37.78197 9.077078 38.63389 10.65694 -0.8519173     13.99871 
1 1 1 -18 28 19 o 17.73448 7.787634 0.5475098      26.01258 19.07000       35.16375 -21.84000      38.65880 22.83993 9.507180 18.43291 8.619246 4.407017       12.83269 
1 1 1 -18 28 20 o 35.25990 9.301163 75.47263       32.55853 75.47263       32.55853 0.000000       0.000000 35.25990 9.301163 ?        ?        ?              ?        
1 1 1 -18 28 21 f 19.96837 8.155826 14.37511       25.23270 3.039923       30.21138 40.52000       45.88276 19.16321 8.404512 27.38140 11.06615 -8.218191      13.89588 
1 1 1 -18 28 22 o 18.39072 7.730781 8.604949       23.59708 -0.4371044     28.78807 27.12000       41.19471 18.24817 8.094698 24.77687 10.29991 -6.528696      13.10009 
1 1 1 -18 28 23 o 43.63616 8.314824 111.0299       34.21824 76.65000       57.38387 130.0000       42.62581 33.01814 12.66548 45.92097 9.782907 -12.90284      16.00374 
1 1 1 -18 28 24 o 29.26721 8.517169 51.27398       25.86633 29.51000       53.06726 58.05606       29.62366 26.25751 11.33030 30.75493 9.159055 -4.497414      14.56928 
1 1 1 -18 28 25 o 40.72442 6.996920 93.05086       26.88648 56.36000       55.84576 104.1213       30.67558 29.73850 12.13827 42.63204 7.631294 -12.89354      14.33786 
1 1 1 -18 28 26 o 60.18790 5.782951 194.5195       33.65067 0.000000       0.000000 194.5195       33.65067 ?        ?        60.18790 5.782951 ?              ?        
1 1 1 -18 28 27 o 36.74653 5.801105 73.45802       20.17418 20.23231       27.99819 130.9339       29.09458 21.37155 8.641864 48.91006 6.217592 -27.53852      10.64614 
1 1 1 -18 28 28 o 24.78190 7.204139 35.58360       18.51474 6.682670       26.74996 62.16096       25.65211 18.58363 8.031736 32.17282 8.140547 -13.58919      11.43579 
1 1 1 -18 28 29 o 18.41691 7.152392 15.31943       18.46448 13.27579       25.87935 17.43848       26.35250 19.49975 8.139485 20.40348 8.334342 -0.9037285     11.64957 
1 1 1 -18 28 30 o 14.22762 6.351802 -2.697911      18.01845 2.859702       25.11003 -8.597415      25.87086 17.39889 7.645442 15.93284 7.308706 1.466055       10.57686 
1 1 1 -18 28 31 o 23.44316 7.382278 32.30550       18.90709 34.43324       26.78223 30.19155       26.69529 24.03948 8.765875 23.02419 8.683999 1.015287       12.33906 
1 1 1 -18 28 32 o 18.96765 7.312605 17.47304       19.19633 37.81437       28.10459 -0.3160168     26.28234 24.79634 8.988794 17.11072 7.652849 7.685625       11.80528 
1 1 1 -18 28 33 o 18.58451 7.262665 16.08443       19.13295 35.19341       28.61341 0.6307703      25.73160 24.17499 9.017049 17.09944 7.615012 7.075552       11.80235 
1 1 1 -18 28 34 o 18.22650 7.167291 15.03034       18.73215 -11.10486      27.22721 38.51909       25.81192 15.90639 7.368312 24.95814 8.656007 -9.051751      11.36743 
1 1 1 -18 28 35 o 21.87605 7.872976 27.52179       21.51187 13.84644       27.12117 50.72000       35.32372 19.54805 8.256486 27.40614 10.05537 -7.858095      13.01077 
1 1 1 -18 28 36 o 13.99156 6.329099 -4.561307      18.55910 -21.64935      25.74470 13.92723       26.77891 14.21647 6.763025 19.46218 8.211388 -5.245715      10.63792 
1 1 1 -18 28 37 o 27.18653 7.194115 44.16099       19.43886 61.43239       28.33396 28.80290       26.71851 30.75197 8.903939 22.46861 8.636332 8.283361       12.40429 
1 1 1 -18 28 38 o 23.48322 7.784357 33.32072       20.85566 45.26000       31.41724 23.91439       27.88619 26.23744 9.504830 21.50551 8.649817 4.731924       12.85150 
1 1 1 -18 28 39 o 15.71285 6.748141 4.830899       18.65377 6.267435       25.33739 3.130807       27.56385 17.72379 7.736738 17.74358 7.892913 -0.1979446E-01 11.05238 
1 1 1 -18 28 40 o 25.26853 7.347082 38.72272       19.25501 28.03703       25.86818 51.99913       28.83401 22.10028 8.497010 27.93386 9.148049 -5.833578      12.48543 
1 1 1 -18 28 41 f 18.83003 7.571900 16.61959       21.36361 28.17508       25.03615 -14.33000      40.97330 21.93189 8.377561 18.43307 8.698582 3.498823       12.07679 
1 1 1 -18 28 42 o 16.52295 7.103672 6.815286       20.71303 -13.87853      23.84196 70.50000       41.82532 14.28751 6.708982 29.87236 10.94473 -15.58485      12.83735 
1 1 1 -18 28 43 o 15.31781 6.740498 2.575727       19.58118 -3.456057      22.22382 23.51000       41.40232 15.09232 6.866022 22.07710 9.754479 -6.984780      11.92863 
1 1 1 -18 28 44 o 19.27962 8.011209 17.91903       24.90597 17.91903       24.90597 0.000000       0.000000 19.27962 8.011209 ?        ?        ?              ?        
1 1 1 -18 29 1  o 77.80444 3.866389 304.5867       29.35306 276.9000       71.19741 310.2564       32.21863 68.01413 11.07518 78.32489 4.217996 -10.31076      11.85121 
1 1 1 -18 29 2  o 41.18265 4.758976 87.24255       18.83124 -15.77000      60.13048 98.44440       19.82870 24.01482 11.06219 43.80079 4.698280 -19.78597      12.01857 
1 1 1 -18 29 3  o 50.34430 4.768816 129.9399       23.21980 30.97000       61.31668 146.5086       25.08825 28.82349 12.30327 53.44118 4.848824 -24.61769      13.22428 
1 1 1 -18 29 4  o 22.91746 7.265097 28.19903       18.28375 -88.15000      58.46079 40.81346       19.24940 18.86754 9.256470 27.19133 7.141780 -8.323790      11.69133 
1 1 1 -18 29 5  o 52.79807 3.960915 140.9305       20.32087 111.4000       62.00979 144.4833       21.50857 40.62073 13.42112 53.38099 4.148965 -12.76026      14.04779 
1 1 1 -18 29 6  o 21.88597 6.868504 25.59794       16.38052 -50.01000      58.99050 31.91488       17.05108 21.14575 10.10858 24.15777 6.880070 -3.012022      12.22778 
1 1 1 -18 29 7  o 35.45798 5.327162 65.90725       17.91806 0.000000       0.000000 65.90725       17.91806 ?        ?        35.45798 5.327162 ?              ?        
1 1 1 -18 29 8  o 39.50822 4.991673 80.99987       18.87357 0.000000       0.000000 80.99987       18.87357 ?        ?        39.50822 4.991673 ?              ?        
1 1 1 -18 29 9  o 56.29685 4.046977 160.6693       22.15203 107.0958       38.56759 187.0443       27.06098 42.67890 9.478835 60.46117 4.607269 -17.78227      10.53922 
1 1 1 -18 29 10 o 17.24305 6.800928 10.78067       16.91079 -11.92843      33.59323 18.48867       19.57145 18.35134 8.384306 20.00007 7.457932 -1.648731      11.22129 
1 1 1 -18 29 11 o 32.66836 6.003872 57.39705       18.49114 47.54246       35.36811 61.10395       21.69194 28.63073 10.11757 33.29640 6.883269 -4.665667      12.23702 
1 1 1 -18 29 12 o 31.00747 6.432214 52.59267       18.88174 29.29938       35.19815 62.00408       22.37339 24.81051 9.803617 33.40597 7.063429 -8.595465      12.08317 
1 1 1 -18 29 13 o 22.94657 7.235839 28.94677       18.15853 40.60542       34.48254 24.47316       21.36014 26.92652 9.925480 21.84127 7.847075 5.085247       12.65274 
1 1 1 -18 29 14 o 29.98828 6.580966 49.65759       18.78589 62.65256       34.37426 44.12343       22.43219 31.94918 9.938304 27.72954 7.889421 4.219639       12.68908 
1 1 1 -18 29 15 o 32.60510 6.383729 58.16448       19.64405 18.32690       33.74609 78.58244       24.15923 22.50376 9.335835 37.79338 6.779817 -15.28963      11.53792 
1 1 1 -18 29 16 o 43.16764 4.958354 97.26513       20.57091 96.45202       34.03519 97.73312       25.82080 40.43095 8.846619 42.42266 6.418622 -1.991707      10.92984 
1 1 1 -18 29 17 o 25.77080 7.430980 37.79860       19.77266 -1.334446      31.63638 62.88356       25.32921 18.92749 8.435460 32.95877 7.944972 -14.03129      11.58791 
1 1 1 -18 29 18 o 54.89790 4.434475 155.2562       23.62627 77.76486       35.92316 214.3268       31.36413 35.17358 9.975965 64.10285 5.039101 -28.92927      11.17642 
1 1 1 -18 29 19 f 55.11075 5.551918 160.8920       29.54147 118.5656       36.95691 235.8000       49.16475 44.82960 8.736284 64.39561 7.969895 -19.56601      11.82548 
1 1 1 -18 29 20 o 15.13190 6.984003 -12.40491      24.13528 -28.45598      30.51550 14.41000       39.44180 15.41161 7.340457 22.59264 9.758533 -7.181033      12.21111 
1 1 1 -18 29 21 o 18.82453 8.551805 -6.271000      34.32499 -6.271000      34.32499 0.000000       0.000000 18.82453 8.551805 ?        ?        ?              ?        
1 1 1 -18 29 22 o 21.97632 8.255069 24.80126       24.06923 17.27264       28.71914 42.57000       44.12070 21.08840 8.667027 27.26393 10.90953 -6.175526      13.93324 
1 1 1 -18 29 23 o 35.16653 6.392675 68.45930       21.19453 67.01557       29.49988 69.99963       30.47088 33.06585 8.913494 33.70846 9.046921 -0.6426086     12.70028 
1 1 1 -18 29 24 o 17.18813 7.762131 -4.653921      27.77833 0.000000       0.000000 -4.653921      27.77833 ?        ?        17.18813 7.762131 ?              ?        
1 1 1 -18 29 25 f 33.68735 8.793633 69.83517       29.30158 0.000000       0.000000 69.83517       29.30158 ?        ?        33.68735 8.793633 ?              ?        
1 1 1 -18 29 26 o 45.54446 6.115685 113.6937       26.57541 32.15000       54.54079 139.0814       30.43248 26.07925 11.36813 50.24430 6.327960 -24.16506      13.01067 
1 1 1 -18 29 27 o 25.31306 8.986247 38.60636       27.92777 38.60636       27.92777 0.000000       0.000000 25.31306 8.986247 ?        ?        ?              ?        
1 1 1 -18 29 28 o 33.84526 6.184478 63.94495       19.73361 38.90783       27.65774 89.90742       28.16422 25.25497 8.944935 39.10765 7.631556 -13.85267      11.75808 
1 1 1 -18 29 29 o 19.79790 7.255535 20.77662       18.38284 31.21746       26.25634 10.73795       25.74570 23.21156 8.641590 18.82861 8.002426 4.382950       11.77777 
1 1 1 -18 29 30 o 14.48330 6.435222 -1.464514      18.26947 14.01147       26.02677 -16.49708      25.65119 19.45600 8.144893 14.81455 6.957227 4.641447       10.71178 
1 1 1 -18 29 31 o 20.49287 7.533783 22.87797       19.84455 22.98864       29.86266 22.79045       26.55627 21.69335 8.867933 21.24452 8.476264 0.4488335      12.26733 
1 1 1 -18 29 32 o 17.44069 7.155313 11.09400       19.53037 6.274349       28.94857 15.12040       26.45923 18.71515 8.216915 19.71805 8.230357 -1.002897      11.62998 
1 1 1 -18 29 33 o 15.98847 6.827803 5.456965       18.89981 29.96805       28.31239 -14.24519      25.38354 22.87157 8.863778 14.93288 6.983164 7.938691       11.28411 
1 1 1 -18 29 34 o 23.09034 7.987330 31.90507       21.97178 39.82856       28.87643 21.01000       33.86104 25.10921 9.110083 21.76231 9.210250 3.346901       12.95463 
1 1 1 -18 29 35 o 20.41449 7.457407 23.05825       19.39622 25.56263       27.98374 20.74260       26.90863 21.85621 8.707453 20.75182 8.442402 1.104387       12.12823 
1 1 1 -18 29 36 o 22.50232 7.744380 30.08751       20.64582 42.19000       33.38556 22.59319       26.27167 25.51137 9.691051 21.02964 8.417207 4.481731       12.83611 
1 1 1 -18 29 37 o 24.33457 7.387745 35.80396       19.13791 33.36764       27.42119 38.11771       26.72252 23.44134 8.809927 24.58025 8.783355 -1.138908      12.44034 
1 1 1 -18 29 38 o 13.68332 6.253399 -6.380170      18.70508 -8.107818      26.14086 -4.567477      26.77654 15.80458 7.285117 16.43802 7.500719 -0.6334400     10.45628 
1 1 1 -18 29 39 o 30.12665 6.935282 53.81459       20.02760 31.11489       27.34064 80.09868       29.42016 22.82286 8.745499 35.36954 8.585493 -12.54668      12.25538 
1 1 1 -18 29 40 o 20.59077 7.832175 23.82739       21.82400 36.77161       25.85934 -8.213000      40.68443 23.98168 8.631794 18.87342 8.830738 5.108259       12.34868 
1 1 1 -18 29 41 o 17.17731 7.268458 9.891036       21.08193 1.127219       24.32290 36.36000       42.27048 16.41338 7.349953 24.00040 10.22901 -7.587017      12.59581 
1 1 1 -18 29 42 o 14.24000 6.923231 -33.46523      30.62447 -56.01000      47.58030 -17.52000      40.01471 16.49066 8.140615 17.61561 8.394547 -1.124952      11.69350 
1 1 1 -18 30 1  o 44.23759 5.413882 102.6516       22.95464 42.78000       62.14951 112.1093       24.70121 29.63992 12.50771 46.16076 5.579981 -16.52084      13.69595 
1 1 1 -18 30 2  o 49.23684 4.956796 125.5972       23.56421 68.69000       64.28804 134.4295       25.32691 33.03712 13.18593 50.83737 5.161167 -17.80025      14.16003 
1 1 1 -18 30 3  o 46.76635 4.541423 112.4346       20.52746 33.86000       62.90451 121.7993       21.71628 28.64457 12.34792 48.65262 4.615279 -20.00805      13.18226 
1 1 1 -18 30 4  o 35.34365 5.394213 65.96851       18.07117 12.56000       60.02479 71.29186       18.95037 26.04289 11.61213 36.74862 5.431751 -10.70573      12.81973 
1 1 1 -18 30 5  o 28.12733 8.675464 45.88302       26.25739 0.000000       0.000000 45.88302       26.25739 ?        ?        28.12733 8.675464 ?              ?        
1 1 1 -18 30 6  f 75.32185 3.714898 286.3725       27.30436 0.000000       0.000000 286.3725       27.30436 ?        ?        75.32185 3.714898 ?              ?        
1 1 1 -18 30 7  o 34.88473 5.418281 64.47974       17.90128 5.680000       60.54685 70.11206       18.73904 25.29736 11.43860 36.39982 5.424915 -11.10246      12.65983 
1 1 1 -18 30 8  o 12.48588 5.708775 -8.213189      15.61222 -42.41000      57.60758 -5.502467      16.21920 20.96263 10.01239 13.24069 5.959622 7.721945       11.65182 
1 1 1 -18 30 9  o 12.09175 5.636465 -12.65848      16.32319 -78.07000      56.18961 -6.629518      17.05886 18.53696 9.090313 13.39610 6.063021 5.140866       10.92676 
1 1 1 -18 30 10 o 26.90240 6.835702 40.45572       18.03407 9.087000       57.47528 43.88129       18.99325 25.08672 11.26112 27.97445 6.963717 -2.887730      13.24032 
1 1 1 -18 30 11 o 30.30980 6.318719 50.39449       18.13807 73.62000       57.68246 47.84604       19.10728 33.15004 12.70285 29.29254 6.795776 3.857500       14.40642 
1 1 1 -18 30 12 o 24.03326 7.083204 32.35006       17.79200 -13.05000      54.09278 37.85754       18.84030 22.41867 10.38524 25.88183 7.183511 -3.463165      12.62759 
1 1 1 -18 30 13 o 44.85199 4.663741 104.3307       20.17630 62.86000       58.44129 109.9425       21.49813 31.35003 12.55200 45.94845 4.853198 -14.59842      13.45757 
1 1 1 -18 30 14 o 18.39728 7.474888 11.61796       21.06254 4.636000       54.90818 12.82258       22.80727 24.04498 10.88062 19.09251 7.770537 4.952471       13.37046 
1 1 1 -18 30 15 o 18.39940 7.165411 14.23318       18.57192 11.79763       29.51359 15.82984       23.89627 20.36939 8.608651 19.95531 8.013789 0.4140816      11.76136 
1 1 1 -18 30 16 o 29.64659 6.983961 49.70542       19.93095 49.76402       31.44130 49.66605       25.77032 28.57475 9.560083 28.88157 8.527950 -0.3068237     12.81098 
1 1 1 -18 30 17 o 42.46403 5.318970 95.58221       21.62462 112.9374       33.85712 83.62412       28.10385 44.13060 8.137717 38.07841 7.802648 6.052185       11.27403 
1 1 1 -18 30 18 o 16.33005 7.020270 3.355250       20.22697 28.77104       30.58510 -16.40160      26.96602 23.67312 9.202055 15.54923 7.246948 8.123892       11.71307 
1 1 1 -18 30 19 o 15.63842 7.103332 -7.348845      23.67122 2.241382       29.14663 -25.93000      40.57048 18.64235 8.212796 18.27744 8.634382 0.3649101      11.91648 
1 1 1 -18 30 20 o 23.52494 10.67318 5.663000       53.25238 5.663000       53.25238 0.000000       0.000000 23.52494 10.67318 ?        ?        ?              ?        
1 1 1 -18 30 21 o 19.35913 7.956212 13.59037       24.20115 4.111012       28.81837 36.27000       44.57566 18.74721 8.215647 26.07096 10.76469 -7.323742      13.54161 
1 1 1 -18 30 22 o 14.50477 6.731645 -13.07370      22.88682 -31.88375      27.63068 28.04000       40.84980 14.07284 6.777005 24.41282 10.21086 -10.33998      12.25518 
1 1 1 -18 30 23 o 13.36018 6.264604 -15.44017      20.66131 -51.38000      31.31719 12.25973       27.49375 13.66819 6.719537 19.71246 8.318797 -6.044273      10.69367 
1 1 1 -18 30 24 o 53.07512 7.202291 160.1212       36.45231 173.7000       61.31956 152.7000       45.33184 48.23072 12.78414 49.10197 9.775639 -0.8712425     16.09339 
1 1 1 -18 30 25 f 44.05579 6.497227 108.2712       27.17800 60.74000       55.99997 122.9159       31.08417 29.49965 12.11094 46.49890 7.050370 -16.99924      14.01366 
1 1 1 -18 30 26 o 20.80474 7.453094 23.69278       19.25381 -8.883837      27.23458 56.24269       27.22342 16.28234 7.480031 29.90209 8.747900 -13.61976      11.50985 
1 1 1 -18 30 27 o 21.72578 7.545865 26.98187       19.61900 8.075585       27.04530 47.98108       28.50298 18.63162 8.064223 27.35355 9.101334 -8.721928      12.16002 
1 1 1 -18 30 28 o 24.50206 7.371542 35.71466       19.11523 15.35561       26.85286 56.62940       27.21686 19.85595 8.289890 29.82255 8.752959 -9.966604      12.05556 
1 1 1 -18 30 29 o 30.52981 6.826684 54.27394       19.88797 48.59925       29.10465 59.24465       27.23957 27.30974 9.198602 30.44538 8.704165 -3.135647      12.66399 
1 1 1 -18 30 30 o 25.00084 7.648960 37.77650       20.46262 12.20156       30.89996 57.75212       27.30868 19.98393 8.634608 30.03850 8.754222 -10.05457      12.29605 
1 1 1 -18 30 31 o 19.18304 7.442939 18.09043       19.98069 11.36113       30.50806 23.14491       26.44040 19.73770 8.553889 21.24650 8.464137 -1.508804      12.03373 
1 1 1 -18 30 32 o 15.04150 6.650474 0.8728503E-01  19.27710 -16.45258      29.14095 12.95676       25.70504 15.75650 7.404562 19.06402 8.044317 -3.307523      10.93337 
1 1 1 -18 30 33 o 15.10806 6.812456 -3.259580      21.30326 6.611233       28.67948 -15.41000      31.81929 18.56507 8.163900 16.54163 7.762080 2.023443       11.26495 
1 1 1 -18 30 34 o 12.18683 5.792522 -17.64449      18.80509 -15.58917      27.75119 -19.38957      25.57120 15.43163 7.243662 14.36695 6.807179 1.064675       9.940238 
1 1 1 -18 30 35 o 40.97908 5.858889 93.38628       22.83278 77.27000       35.97607 104.2564       29.54603 33.10813 10.14454 41.84309 7.488868 -8.734959      12.60932 
1 1 1 -18 30 36 o 24.72553 7.430627 37.28667       19.43071 14.85598       27.94250 58.28894       27.03815 19.66118 8.345803 29.87691 8.711784 -10.21573      12.06431 
1 1 1 -18 30 37 o 15.03305 6.909354 -7.455857      23.27509 -17.85000      49.80014 -4.550863      26.32745 19.72645 9.390435 16.29793 7.437084 3.428528       11.97875 
1 1 1 -18 30 38 o 20.83040 8.901779 18.81932       32.16599 -2.198000      51.29488 32.44000       41.29378 21.03263 9.864954 23.72375 10.11059 -2.691122      14.12591 
1 1 1 -18 30 39 o 20.44958 8.796906 17.52437       31.79898 2.988000       50.79979 26.89000       40.77579 21.23215 9.912492 22.73811 9.871454 -1.505953      13.98939 
1 1 1 -18 30 40 o 23.98654 9.433990 38.41182       32.45896 -16.78000      49.84814 79.04000       42.76863 19.36552 9.266944 31.02411 11.10883 -11.65859      14.46659 
1 1 1 -18 30 41 o 27.82118 9.776509 57.56493       32.98923 21.17000       50.25643 85.12000       43.72924 22.35753 10.22991 31.68746 11.24511 -9.329933      15.20209 
1 1 1 -18 31 1  o 20.95335 8.072141 20.15823       23.37872 43.29000       57.30788 15.54000       25.60636 28.81185 12.07543 20.35896 8.252860 8.452890       14.62620 
1 1 1 -18 31 2  o 32.88440 6.879075 60.21865       21.42975 8.790000       58.30161 68.25234       23.04282 25.08208 11.29343 35.01089 6.969095 -9.928816      13.27064 
1 1 1 -18 31 3  o 61.54988 3.815544 192.1853       22.87438 172.1000       64.95718 195.0286       24.43987 49.32997 13.19555 61.86301 4.058511 -12.53304      13.80558 
1 1 1 -18 31 4  o 30.81955 6.663031 52.73307       19.51381 0.000000       0.000000 52.73307       19.51381 ?        ?        30.81955 6.663031 ?              ?        
1 1 1 -18 31 5  o 57.31946 4.241042 168.2162       23.62619 0.000000       0.000000 168.2162       23.62619 ?        ?        57.31946 4.241042 ?              ?        
1 1 1 -18 31 6  o 15.82777 6.615288 5.412873       17.12736 -81.23000      56.41422 14.20985       17.97582 18.32163 9.009515 18.30437 7.071155 0.1725769E-01  11.45306 
1 1 1 -18 31 7  o 24.69813 7.005025 34.32578       17.71252 -11.63000      55.98216 39.43801       18.67174 22.78557 10.55863 26.40639 7.079609 -3.620813      12.71242 
1 1 1 -18 31 8  o 39.25039 5.208217 81.31139       19.51627 60.78000       59.44291 83.79194       20.66161 30.97511 12.56766 39.71552 5.459224 -8.740406      13.70216 
1 1 1 -18 31 9  o 69.45709 3.992858 245.7816       27.03165 0.000000       0.000000 245.7816       27.03165 ?        ?        69.45709 3.992858 ?              ?        
1 1 1 -18 31 10 o 20.19086 7.208371 20.91900       17.99417 -44.73000      57.59361 28.02052       18.94243 20.51482 9.854805 22.50255 7.417082 -1.987724      12.33411 
1 1 1 -18 31 11 o 27.51547 6.898445 42.80660       18.54260 67.64000       56.14793 39.76668       19.64477 31.70261 12.42607 26.34914 7.343548 5.353472       14.43381 
1 1 1 -18 31 12 o 19.10620 7.152386 17.30124       18.03594 11.52000       52.86227 18.06289       19.18727 24.28508 10.85808 19.53496 7.363484 4.750113       13.11940 
1 1 1 -18 31 13 o 33.51701 6.091135 61.43017       19.24755 80.33000       54.03694 58.68386       20.59856 33.64980 12.42129 32.38986 6.717673 1.259945       14.12146 
1 1 1 -18 31 14 o 32.74107 6.445371 59.48370       19.92038 -25.39000      53.43965 73.18034       21.46763 20.96540 9.905837 36.53603 6.225847 -15.57063      11.69986 
1 1 1 -18 31 15 o 20.38109 7.486798 21.04893       19.59156 49.90000       51.32952 16.12916       21.19625 28.73284 11.67093 19.37621 7.622697 9.356627       13.93973 
1 1 1 -18 31 16 o 51.71471 4.678693 139.2428       23.42750 102.4000       56.05145 147.0414       25.78804 37.05421 12.76008 52.90313 5.040878 -15.84893      13.71970 
1 1 1 -18 31 17 o 22.38215 8.654031 25.30649       26.94168 1.467000       52.50164 33.82824       31.38982 22.97219 10.49018 24.67116 9.391008 -1.698977      14.07959 
1 1 1 -18 31 18 o 18.16453 7.745320 7.430764       24.25503 10.33000       51.52329 6.605325       27.49186 23.61362 10.62578 18.82062 8.138269 4.792997       13.38427 
1 1 1 -18 31 19 o 36.07454 7.542819 75.57259       25.77597 5.421000       52.94347 97.36654       29.50949 23.21889 10.57643 41.00045 7.633876 -17.78155      13.04365 
1 1 1 -18 31 20 o 23.57402 8.384130 31.79750       24.32063 -16.81000      53.10872 44.69585       27.35781 21.26055 9.992681 26.99287 8.914385 -5.732313      13.39104 
1 1 1 -18 31 21 o 17.04338 7.587953 -0.6112733     25.53095 0.000000       0.000000 -0.6112733     25.53095 ?        ?        17.04338 7.587953 ?              ?        
1 1 1 -18 31 22 o 15.66452 7.181193 -8.882915      24.92399 0.000000       0.000000 -8.882915      24.92399 ?        ?        15.66452 7.181193 ?              ?        
1 1 1 -18 31 23 o 49.09195 4.884737 127.4956       23.16129 115.1000       57.75762 129.8709       25.28320 37.69111 12.95384 49.20521 5.334707 -11.51410      14.00932 
1 1 1 -18 31 24 o 34.89722 6.305647 68.39812       20.74653 46.21000       54.74887 72.11845       22.41846 27.22502 11.62346 35.58264 6.681985 -8.357622      13.40723 
1 1 1 -18 31 25 o 36.30640 8.450757 81.72440       29.46731 0.000000       0.000000 81.72440       29.46731 ?        ?        36.30640 8.450757 ?              ?        
1 1 1 -18 31 26 o 26.12158 9.569388 43.86911       31.97260 16.32000       47.21016 67.21000       43.45506 22.91425 10.25202 30.28638 11.14598 -7.372131      15.14387 
1 1 1 -18 31 27 o 29.23955 7.028705 50.43166       19.86701 -28.95000      48.92783 66.10355       21.73985 19.05601 9.135401 33.77289 6.811630 -14.71688      11.39534 
1 1 1 -18 31 28 o 35.65498 6.053329 71.18913       20.37149 72.74000       52.62358 70.91574       22.09416 30.38026 11.99256 35.12729 6.669648 -4.747021      13.72245 
1 1 1 -18 31 29 o 21.50683 7.846680 26.23650       21.46421 61.70000       51.22784 18.68491       23.63929 28.78225 11.67097 19.90058 7.977878 8.881668       14.13712 
1 1 1 -18 31 30 o 31.03303 7.350081 57.76592       21.98042 50.46000       52.73496 59.30205       24.18104 27.01775 11.46677 30.97246 7.939782 -3.954708      13.94730 
1 1 1 -18 31 31 o 29.01382 7.641320 51.47711       21.99747 83.39000       52.03902 44.53418       24.27268 31.80382 12.09499 26.51042 8.366611 5.293404       14.70677 
1 1 1 -18 31 32 o 40.14151 6.785539 93.16438       25.71227 26.20000       52.72393 114.0601       29.45196 24.13558 10.81365 44.23804 7.037079 -20.10246      12.90176 
1 1 1 -18 31 33 o 32.93835 6.805824 63.39153       21.21648 82.93000       53.23842 59.70263       23.13279 31.45824 12.16467 31.28122 7.625327 0.1770210      14.35705 
1 1 1 -18 31 34 o 27.37650 7.975086 46.99110       22.66821 0.000000       0.000000 46.99110       22.66821 ?        ?        27.37650 7.975086 ?              ?        
1 1 1 -18 31 35 o 27.74516 7.397628 47.04939       20.45659 -47.60000      50.89106 65.28999       22.34097 17.93091 8.763113 33.09440 7.108840 -15.16349      11.28396 
1 1 1 -18 31 36 o 16.34827 6.946306 7.191719       19.38923 -19.39000      50.45605 11.79715       21.00181 19.66234 9.385545 17.71087 7.357719 1.951462       11.92579 
1 1 1 -18 31 37 o 29.68406 8.183405 56.65584       24.54201 -25.30000      51.52976 80.70002       27.91085 19.24356 9.263964 35.70142 8.164870 -16.45785      12.34853 
1 1 1 -18 31 38 o 13.77113 6.751676 -41.97323      30.94304 0.1386000      49.86103 -68.35000      39.46117 20.74245 9.727972 14.31158 7.124655 6.430868       12.05795 
1 1 1 -18 31 39 o 23.72227 9.395288 37.79965       32.39602 11.68000       49.20855 57.78000       43.03863 21.43532 9.921179 26.90721 10.77216 -5.471884      14.64477 
1 1 1 -18 31 40 o 25.75206 9.610816 48.30470       32.51510 26.98000       48.88016 65.23000       43.54712 22.77439 10.28964 27.95275 10.94711 -5.178370      15.02384 
1 1 1 -18 32 1  o 58.49119 5.136569 179.4344       29.10994 146.5000       63.76543 188.1052       32.71827 44.09964 13.50447 59.45415 5.691551 -15.35452      14.65485 
1 1 1 -18 32 2  o 47.08904 5.732566 118.5914       25.87875 0.000000       0.000000 118.5914       25.87875 ?        ?        47.08904 5.732566 ?              ?        
1 1 1 -18 32 3  o 31.12473 7.617064 56.01248       23.01403 0.000000       0.000000 56.01248       23.01403 ?        ?        31.12473 7.617064 ?              ?        
1 1 1 -18 32 4  o 13.83103 6.170888 -3.586288      16.97879 16.82000       57.23285 -5.555514      17.77916 25.35915 11.32095 13.80128 6.223340 11.55787       12.91874 
1 1 1 -18 32 5  o 20.83228 7.227840 23.10573       17.99788 -11.37000      57.78805 26.80906       18.93988 22.86283 10.63984 22.07558 7.420349 0.7872467      12.97180 
1 1 1 -18 32 6  o 16.02527 6.699155 5.946200       17.56955 57.96000       57.63886 0.6182318      18.44747 30.18441 12.32731 15.19119 6.616858 14.99322       13.99090 
1 1 1 -18 32 7  o 15.89439 6.677094 5.379002       17.58519 -83.31000      57.73047 14.44977       18.46257 18.29353 9.018552 18.37937 7.148046 -0.8583832E-01 11.50777 
1 1 1 -18 32 8  o 30.68596 6.429346 52.38556       18.69216 60.93000       56.89572 51.35174       19.79070 30.47543 12.32061 30.13787 6.862950 0.3375683      14.10310 
1 1 1 -18 32 9  o 25.98981 7.247196 38.82997       19.12724 -57.89000      56.11312 51.54549       20.34574 19.27723 9.372060 30.08042 7.036090 -10.80319      11.71930 
1 1 1 -18 32 10 o 29.13455 6.936490 48.23870       19.49553 -8.069000      56.82721 55.74984       20.75513 22.86766 10.61095 31.36929 6.943237 -8.501633      12.68073 
1 1 1 -18 32 11 o 43.30090 5.063577 98.93528       21.05675 16.34000       56.71172 112.1426       22.67788 25.03725 11.21657 46.09769 5.111757 -21.06044      12.32646 
1 1 1 -18 32 12 f 25.09909 7.381172 36.32945       19.33814 23.36000       53.34843 38.29139       20.74933 25.36878 11.14589 25.64977 7.671774 -0.2809868     13.53097 
1 1 1 -18 32 13 o 37.82200 5.853340 77.67798       20.97047 -22.49000      53.00401 96.26709       22.83356 20.97525 9.896813 42.30110 5.656248 -21.32585      11.39913 
1 1 1 -18 32 14 o 34.46823 6.367747 65.95602       20.69259 86.47000       52.27261 62.14404       22.53331 34.30331 12.28146 32.91115 7.195870 1.392159       14.23428 
1 1 1 -18 32 15 o 28.67469 8.716594 50.49517       26.63016 51.82000       52.35556 50.03279       30.93009 28.58419 11.71991 28.22236 9.482546 0.3618279      15.07564 
1 1 1 -18 32 16 o 16.54412 7.062229 5.118862       20.20527 8.463000       50.70752 4.487676       22.02971 23.15651 10.46953 16.95623 7.308328 6.200285       12.76804 
1 1 1 -18 32 17 o 27.33201 8.377243 45.36457       24.53067 2.317000       53.42888 56.86271       27.61311 22.88786 10.50064 30.26580 8.797830 -7.377943      13.69910 
1 1 1 -18 32 18 o 35.03875 6.948847 70.18803       22.99043 30.82000       55.49339 78.34511       25.26020 25.85966 11.36445 36.82928 7.265274 -10.96963      13.48833 
1 1 1 -18 32 19 o 43.84318 5.401857 103.3485       22.69242 75.15000       55.44416 109.0227       24.87095 31.56745 12.35537 44.73571 5.817438 -13.16826      13.65641 
1 1 1 -18 32 20 o 18.85238 7.668621 14.09536       22.19855 0.000000       0.000000 14.09536       22.19855 ?        ?        18.85238 7.668621 ?              ?        
1 1 1 -18 32 21 o 27.74817 8.479007 47.88038       25.15474 -39.76000      55.04965 71.00893       28.27982 19.64358 9.486061 33.81604 8.542387 -14.17246      12.76549 
1 1 1 -18 32 22 o 26.23622 8.394375 42.70937       24.36372 58.64000       53.75517 38.59083       27.33224 28.63359 11.82186 25.00385 8.888556 3.629738       14.79063 
1 1 1 -18 32 23 o 15.59175 6.838356 1.571153       20.00219 -5.427000      51.91292 2.791214       21.67577 21.40992 10.00371 16.31408 7.137876 5.095837       12.28916 
1 1 1 -18 32 24 o 30.15968 7.011777 53.46698       20.30596 64.16000       52.10919 51.55252       22.04893 29.16145 11.79041 29.15466 7.636754 0.6790161E-02  14.04755 
1 1 1 -18 32 25 o 56.65722 5.249233 173.1751       28.78004 58.35000       55.08978 216.2771       33.75214 28.14106 11.81975 63.04629 5.525139 -34.90523      13.04736 
1 1 1 -18 32 26 f 23.74257 8.583827 34.28753       25.60724 50.72000       50.55205 28.61566       29.69956 27.16638 11.36048 22.66925 8.990188 4.497131       14.48737 
1 1 1 -18 32 27 o 14.53348 6.662891 -7.565963      21.45832 0.000000       0.000000 -7.565963      21.45832 ?        ?        14.53348 6.662891 ?              ?        
1 1 1 -18 32 28 o 31.01191 8.443269 61.24667       26.31352 -1.641000      51.48945 83.47678       30.61303 21.40770 9.989523 36.09766 8.755074 -14.68996      13.28314 
1 1 1 -18 32 29 f 21.87735 7.785106 28.04865       20.97224 18.83000       52.01397 29.83832       22.91773 23.32925 10.57005 22.43156 8.119081 0.8976898      13.32837 
1 1 1 -18 32 30 o 20.84452 8.144564 23.25921       24.05853 -15.55000      50.25510 34.79799       27.40266 20.05830 9.515226 23.73460 8.829782 -3.676298      12.98093 
1 1 1 -18 32 31 o 26.23895 7.738598 42.60639       21.23076 10.56000       51.16728 49.27111       23.33424 22.35249 10.26277 27.97379 8.074473 -5.621300      13.05839 
1 1 1 -18 32 32 o 13.98488 6.515049 -11.73313      21.75689 0.000000       0.000000 -11.73313      21.75689 ?        ?        13.98488 6.515049 ?              ?        
1 1 1 -18 32 33 o 26.70386 8.038091 45.18650       22.72413 0.000000       0.000000 45.18650       22.72413 ?        ?        26.70386 8.038091 ?              ?        
1 1 1 -18 32 34 o 18.86450 7.446270 17.48321       20.28663 -61.99000      50.23911 32.96640       22.17490 16.99313 8.384209 23.11518 8.022689 -6.122051      11.60424 
1 1 1 -18 32 35 o 17.24169 7.138732 11.30680       19.67741 63.79000       51.13728 2.185097       21.31893 28.07199 11.55414 15.85906 7.003704 12.21293       13.51111 
1 1 1 -18 32 36 o 15.75692 7.484537 -19.17627      31.29412 33.92000       50.36319 -52.57000      39.94053 24.08154 10.69311 15.30398 7.536378 8.777559       13.08204 
1 1 1 -18 32 37 o 18.10778 8.200425 3.102818       31.26246 32.89000       49.14767 -17.14000      40.51573 23.63307 10.52446 17.78082 8.465867 5.852247       13.50686 
1 1 1 -18 32 38 o 17.38204 7.987626 -1.359967      31.08837 -47.90000      47.07748 34.63000       41.39907 16.73536 8.229632 23.22034 10.01351 -6.484985      12.96138 
1 1 1 -18 32 39 o 21.27768 9.805555 15.81000       47.31686 15.81000       47.31686 0.000000       0.000000 21.27768 9.805555 ?        ?        ?              ?        
1 1 1 -18 33 1  o 34.14477 8.700691 70.75994       29.15878 0.000000       0.000000 70.75994       29.15878 ?        ?        34.14477 8.700691 ?              ?        
1 1 1 -18 33 2  o 31.84677 6.825697 57.31856       20.63780 0.000000       0.000000 57.31856       20.63780 ?        ?        31.84677 6.825697 ?              ?        
1 1 1 -18 33 3  o 18.62210 7.152820 15.68534       18.31882 -45.31000      54.35372 23.50158       19.45719 19.64571 9.471867 21.02055 7.496661 -1.374842      12.07958 
1 1 1 -18 33 4  o 25.91378 7.951317 39.45325       22.09198 -51.41000      55.08934 56.86594       24.11607 19.39957 9.397431 31.03799 7.914598 -11.63843      12.28628 
1 1 1 -18 33 5  o 41.93919 5.917508 95.40190       23.61780 70.42000       56.93199 100.5948       25.95667 31.55830 12.46876 42.74275 6.400815 -11.18445      14.01572 
1 1 1 -18 33 6  o 18.61117 7.189185 15.50940       18.58001 -23.18000      52.91541 20.95021       19.84348 20.89049 9.866424 20.31892 7.522322 0.5715637      12.40692 
1 1 1 -18 33 7  o 21.92451 7.411992 26.73081       18.89684 8.682000       53.51855 29.30149       20.19779 23.72707 10.73889 22.77822 7.662845 0.9488468      13.19254 
1 1 1 -18 33 8  o 32.31311 6.446021 58.32498       19.67294 -5.546000      52.98187 68.53948       21.18771 22.30128 10.31233 35.12545 6.398136 -12.82417      12.13591 
1 1 1 -18 33 9  o 25.65636 7.329673 38.23911       19.32277 -31.52000      52.87953 48.98912       20.75829 20.19163 9.629913 29.04366 7.308746 -8.852030      12.08938 
1 1 1 -18 33 10 o 24.44582 7.467985 34.74717       19.51520 -14.92000      53.96524 42.21946       20.93179 21.56903 10.11716 26.77024 7.622503 -5.201208      12.66726 
1 1 1 -18 33 11 f 28.60359 7.103930 47.35395       19.79926 -8.076000      54.03276 55.95094       21.27934 22.08705 10.28201 31.13086 7.136130 -9.043810      12.51575 
1 1 1 -18 33 12 o 43.53658 5.132016 100.8090       21.45026 100.9000       55.87447 100.7933       23.23030 36.02569 12.71803 43.19688 5.627770 -7.171196      13.90756 
1 1 1 -18 33 13 o 16.04653 7.338870 -8.225465      25.82537 -58.90000      52.74854 7.750921       29.61794 18.30288 8.939880 19.36488 8.410021 -1.061995      12.27395 
1 1 1 -18 33 14 o 15.99322 7.193800 -3.616695      23.58861 -47.86000      51.40611 8.183887       26.54866 18.64654 9.043317 18.70852 8.042811 -0.6198502E-01 12.10241 
1 1 1 -18 33 15 o 15.31007 6.995814 -7.725638      23.39894 1.890000       51.83571 -10.18641      26.22262 22.43870 10.31236 15.85882 7.305204 6.579885       12.63767 
1 1 1 -18 33 16 o 19.19431 7.921540 13.79771       24.12323 32.29000       51.74854 8.663494       27.26717 25.61217 11.11990 18.91848 8.142212 6.693684       13.78215 
1 1 1 -18 33 17 o 23.96835 7.855002 34.02906       21.25723 -9.416000      51.64756 42.88965       23.32442 21.33204 9.970848 26.51886 8.176105 -5.186815      12.89444 
1 1 1 -18 33 18 o 15.36172 6.891896 -2.874123      21.49501 9.369000       54.82227 -5.098177      23.36596 23.27902 10.66391 15.61058 7.077495 7.668441       12.79883 
1 1 1 -18 33 19 o 35.55244 7.533212 75.02722       25.39946 0.000000       0.000000 75.02722       25.39946 ?        ?        35.55244 7.533212 ?              ?        
1 1 1 -18 33 20 o 20.08804 7.680630 20.94361       21.05711 -29.43000      50.76867 31.40995       23.14151 19.37526 9.292994 23.00743 8.178802 -3.632175      12.37952 
1 1 1 -18 33 21 o 14.80307 6.870894 -11.48151      23.85421 -51.51000      50.32143 0.1204037      27.09151 17.87970 8.732882 17.31270 7.754508 0.5670071      11.67885 
1 1 1 -18 33 22 o 20.01464 8.057722 18.99946       24.22358 36.51000       50.78537 13.84235       27.56079 25.31144 11.00239 19.56590 8.296283 5.745537       13.77973 
1 1 1 -18 33 23 o 19.14281 7.643590 17.05161       21.61160 57.34000       51.32476 8.368794       23.82689 27.96556 11.54932 17.80002 7.635278 10.16554       13.84501 
1 1 1 -18 33 24 o 34.97190 6.653261 70.44688       21.94315 77.75000       52.14754 68.87553       24.18889 31.02637 12.02803 33.89224 7.490952 -2.865871      14.16996 
1 1 1 -18 33 25 o 25.44722 8.747602 41.26562       26.33885 -2.682000      50.02666 58.11978       30.98042 21.16284 9.865733 29.32939 9.473659 -8.166552      13.67782 
1 1 1 -18 33 26 o 48.95533 6.014498 133.8402       28.21581 119.7000       55.00435 138.8899       32.87008 37.43076 12.64561 48.76663 7.093915 -11.33587      14.49948 
1 1 1 -18 33 27 o 39.57121 6.326424 88.98744       23.67944 81.20000       53.80285 90.85826       26.37080 31.07715 12.16886 39.29649 7.117882 -8.219337      14.09771 
1 1 1 -18 33 28 o 28.12582 7.875449 49.34937       22.53710 -12.42000      52.40720 63.36438       24.96326 20.55758 9.741755 31.86034 8.013408 -11.30275      12.61414 
1 1 1 -18 33 29 o 30.23852 9.153869 61.34837       29.41104 0.000000       0.000000 61.34837       29.41104 ?        ?        30.23852 9.153869 ?              ?        
1 1 1 -18 33 30 o 29.91238 8.322198 57.19836       25.25336 45.17000       51.96830 60.91672       28.89423 26.00777 11.21739 30.20070 9.057844 -4.192936      14.41785 
1 1 1 -18 33 31 o 23.03558 8.181190 32.78011       23.15014 0.000000       0.000000 32.78011       23.15014 ?        ?        23.03558 8.181190 ?              ?        
1 1 1 -18 33 32 o 16.19393 6.982396 5.668087       20.12329 45.79000       51.44941 -1.578364      21.86514 25.80330 11.14537 15.41313 6.930022 10.39016       13.12420 
1 1 1 -18 33 33 o 15.48551 6.775748 2.885883       19.53473 -30.76000      51.02039 8.665584       21.14611 18.86074 9.113970 17.03528 7.246787 1.825455       11.64390 
1 1 1 -18 33 34 o 37.60464 5.925721 80.21514       21.09048 80.65000       53.81679 80.13624       22.92417 29.97615 12.03034 37.03175 6.564628 -7.055599      13.70487 
1 1 1 -18 33 35 o 30.37792 9.781452 67.57646       33.04316 78.65000       52.17370 60.16000       42.69792 29.52182 11.84621 27.47608 10.81594 2.045738       16.04111 
1 1 1 -18 33 36 o 16.91725 7.826815 -4.692668      30.57917 -14.13000      46.88266 2.295000       40.34166 18.91428 9.033587 19.38078 8.974694 -0.4664993     12.73385 
1 1 1 -18 33 37 f 15.81775 7.483648 -14.72746      30.69209 9.990000       47.37144 -32.61000      40.29298 20.86860 9.684961 16.40125 7.966459 4.467358       12.54045 
1 1 1 -18 34 1  o 39.94931 7.069629 90.96251       26.63334 69.98000       56.33351 97.00262       30.22461 30.95659 12.34733 40.60061 7.889730 -9.644020      14.65279 
1 1 1 -18 34 2  o 48.98112 5.940838 130.6943       27.90124 99.20000       56.81629 140.7030       32.02933 35.52187 12.79349 50.19313 6.685335 -14.67126      14.43492 
1 1 1 -18 34 3  o 39.46646 5.497655 84.04232       20.66223 3.019000       54.79303 97.47394       22.30923 23.09219 10.60893 42.55158 5.483624 -19.45939      11.94234 
1 1 1 -18 34 4  o 33.37618 6.321084 62.21258       19.89483 -20.90000      53.89114 75.32677       21.40695 20.98899 9.926151 36.92323 6.138545 -15.93423      11.67091 
1 1 1 -18 34 5  o 46.54584 5.580337 116.7935       24.91799 -32.34000      55.73962 154.0413       27.85650 20.47892 9.799614 53.69075 5.372639 -33.21183      11.17576 
1 1 1 -18 34 6  o 18.61965 7.572464 13.32675       21.64032 -51.43000      52.36237 26.66549       23.76480 18.64547 9.062281 22.13731 8.225254 -3.491842      12.23845 
1 1 1 -18 34 7  o 17.61450 7.144387 11.48726       19.20223 -7.344000      51.50455 14.52736       20.69426 21.64602 10.06379 18.67851 7.472407 2.967512       12.53463 
1 1 1 -18 34 8  o 16.72449 6.997067 7.685356       19.19005 -14.78000      51.52303 11.30379       20.67783 20.98946 9.858056 17.91590 7.357733 3.073559       12.30112 
1 1 1 -18 34 9  o 23.41874 7.584617 32.01704       19.84916 3.035000       52.10762 36.93628       21.46771 22.57177 10.36094 24.89754 7.869740 -2.325779      13.01083 
1 1 1 -18 34 10 o 23.42859 7.678391 32.13670       20.31201 51.57000       52.31973 28.68788       22.04082 28.04322 11.62837 22.45290 7.981901 5.590321       14.10425 
1 1 1 -18 34 11 o 27.01399 8.800673 45.48732       26.70249 71.39000       52.75676 36.56609       30.96123 30.93251 12.06807 24.79492 9.352089 6.137594       15.26761 
1 1 1 -18 34 12 o 26.82487 8.320975 44.12056       24.11548 71.16000       54.55584 37.55421       26.88463 30.78727 12.19264 24.91339 8.819498 5.873875       15.04806 
1 1 1 -18 34 13 f 15.10939 6.760770 -2.605989      20.53668 15.84000       52.37671 -5.957044      22.32431 23.69147 10.68247 15.17128 6.893950 8.520189       12.71384 
1 1 1 -18 34 14 o 16.66788 7.372264 1.132630       23.70950 26.63000       52.99638 -5.247627      26.51048 24.76714 10.98487 16.50143 7.503931 8.265709       13.30324 
1 1 1 -18 34 15 o 28.88543 7.792855 50.71674       22.53755 39.63000       53.08447 53.15456       24.89237 26.14215 11.30646 29.20969 8.310874 -3.067537      14.03235 
1 1 1 -18 34 16 o 16.17770 7.061519 2.992862       21.10566 54.05000       51.19369 -7.462191      23.16601 27.78502 11.51025 15.13596 6.933062 12.64905       13.43701 
1 1 1 -18 34 17 f 17.31922 7.480833 6.372738       23.17905 0.000000       0.000000 6.372738       23.17905 ?        ?        17.31922 7.480833 ?              ?        
1 1 1 -18 34 18 o 32.45733 7.239161 62.46839       22.41319 81.27000       51.67167 58.11106       24.87514 31.72904 12.05560 30.53180 8.165154 1.197247       14.56047 
1 1 1 -18 34 19 o 23.05979 7.955433 32.01320       21.79099 35.11000       48.64346 31.23571       24.37343 24.95337 10.80772 22.88375 8.359609 2.069620       13.66345 
1 1 1 -18 34 20 o 23.02103 8.006688 31.99470       22.09216 -21.26000      50.31062 44.71642       24.58972 19.70187 9.395432 26.51066 8.427831 -6.808784      12.62151 
1 1 1 -18 34 21 o 23.61126 8.488540 34.11701       24.99970 9.989000       50.17965 42.08296       28.83273 22.31686 10.21536 25.53141 9.123529 -3.214550      13.69644 
1 1 1 -18 34 22 o 50.66902 5.735849 141.4256       27.94794 166.4000       56.14632 133.1993       32.22373 46.40835 12.20101 47.82154 7.099225 -1.413193      14.11608 
1 1 1 -18 34 23 o 14.66642 6.829148 -11.85165      23.85816 -84.36000      47.99632 11.94436       27.49578 15.59320 7.777785 19.11428 8.200609 -3.521073      11.30239 
1 1 1 -18 34 24 o 35.82794 6.763433 74.70267       22.84968 18.47000       51.22517 88.67068       25.53033 23.10129 10.47585 38.93227 6.954707 -15.83097      12.57423 
1 1 1 -18 34 25 o 21.49360 8.481171 25.42266       26.30947 -33.44000      49.56327 48.51585       31.04432 18.61299 8.991467 26.76542 9.477060 -8.152435      13.06373 
1 1 1 -18 34 26 o 31.34812 8.438127 63.10012       26.46062 9.557000       51.01698 82.80455       30.94887 22.14382 10.19640 35.60683 8.903906 -13.46301      13.53684 
1 1 1 -18 34 27 o 17.45391 7.750610 3.415235       26.46276 -31.88000      49.75961 17.33419       31.24800 18.70800 9.030436 20.53844 8.775339 -1.830444      12.59188 
1 1 1 -18 34 28 o 38.90879 6.483785 87.06299       23.82496 20.25000       52.88070 104.0793       26.68700 23.27679 10.59011 42.44950 6.640195 -19.17271      12.49970 
1 1 1 -18 34 29 o 32.64396 7.095598 63.84362       22.02392 -70.98000      52.36657 92.81602       24.27523 16.88777 8.373093 40.20992 6.380553 -23.32215      10.52711 
1 1 1 -18 34 30 o 32.60973 7.513450 65.25220       23.48904 0.000000       0.000000 65.25220       23.48904 ?        ?        32.60973 7.513450 ?              ?        
1 1 1 -18 34 31 o 15.29035 6.872532 -1.487349      21.48386 0.000000       0.000000 -1.487349      21.48386 ?        ?        15.29035 6.872532 ?              ?        
1 1 1 -18 34 32 o 15.01831 6.841773 -4.136892      22.16311 30.68000       51.03404 -12.22965      24.60443 23.70918 10.62952 14.67027 6.865164 9.038912       12.65374 
1 1 1 -18 34 33 o 14.48110 6.504529 -1.477525      19.20950 -46.81000      50.13966 6.321098       20.79628 17.47957 8.574893 16.33640 7.071129 1.143167       11.11439 
1 1 1 -18 34 34 o 16.70440 7.794620 -8.134730      31.34557 -9.695000      48.60811 -7.024000      41.01223 19.49425 9.279183 18.61126 8.758012 0.8829937      12.75955 
1 1 1 -18 34 35 o 18.76063 8.367705 9.934128       31.19417 12.43000       47.51129 8.043000       41.35672 21.01066 9.732986 19.93080 9.178484 1.079865       13.37818 
1 1 1 -18 35 1  o 53.68358 4.335089 150.0496       22.58599 75.65000       53.91390 165.8860       24.87389 31.44602 12.21913 56.28858 4.553417 -24.84256      13.03997 
1 1 1 -18 35 2  o 30.74889 6.932172 54.69923       20.36421 1.671000       52.19061 64.22256       22.11735 22.36053 10.30227 33.34219 7.000232 -10.98166      12.45552 
1 1 1 -18 35 3  o 21.51982 8.358288 24.00623       25.21756 -9.008000      52.71418 33.80368       28.71664 21.50665 10.05925 24.03507 9.019310 -2.528425      13.51060 
1 1 1 -18 35 4  o 31.64208 8.317766 61.64695       26.09640 10.14000       53.91156 77.40897       29.82325 23.33329 10.64552 35.24354 8.698639 -11.91025      13.74749 
1 1 1 -18 35 5  o 30.91325 6.823122 55.09081       20.09231 -8.222000      52.99343 65.72018       21.71352 21.57967 10.09094 33.87013 6.786158 -12.29046      12.16055 
1 1 1 -18 35 6  o 29.85858 7.900471 54.08404       23.44485 52.94000       51.54366 54.38247       26.32578 28.01102 11.57157 29.44420 8.599266 -1.433178      14.41696 
1 1 1 -18 35 7  o 19.98736 7.927969 18.87836       23.09974 -75.14000      49.22979 45.42263       26.15815 16.52737 8.180903 26.89138 8.706760 -10.36402      11.94717 
1 1 1 -18 35 8  o 34.46873 6.530303 67.56184       21.22624 57.74000       53.84270 69.36918       23.09678 28.52211 11.80891 34.53239 7.071290 -6.010281      13.76421 
1 1 1 -18 35 9  o 39.48499 7.579682 92.26314       28.22983 65.86000       54.66139 101.8669       32.96654 29.55710 12.02965 40.57166 8.570293 -11.01456      14.77032 
1 1 1 -18 35 10 o 26.55450 8.391686 44.05331       24.41094 61.75000       52.97160 39.28186       27.50566 28.92395 11.81572 25.10274 8.917423 3.821215       14.80310 
1 1 1 -18 35 11 o 23.66236 7.722903 33.60949       20.55802 61.26000       50.85257 28.20769       22.47660 28.78941 11.64472 22.11989 8.035687 6.669523       14.14820 
1 1 1 -18 35 12 o 15.46250 6.965556 -3.001192      22.21004 -34.14000      48.55956 5.236039       24.97551 18.60143 8.964471 17.55659 7.672164 1.044836       11.79932 
1 1 1 -18 35 13 o 17.22111 7.509458 5.050756       23.81707 43.97000       49.91243 -6.423812      27.10158 26.19411 11.13792 16.37259 7.499273 9.821510       13.42730 
1 1 1 -18 35 14 o 26.33369 7.881583 42.82087       21.89422 7.562000       50.34599 51.04404       24.31366 22.17466 10.18074 28.47823 8.248837 -6.303570      13.10308 
1 1 1 -18 35 15 o 49.19920 5.757858 133.5393       27.20456 0.000000       0.000000 133.5393       27.20456 ?        ?        49.19920 5.757858 ?              ?        
1 1 1 -18 35 16 o 29.28186 8.366266 54.61282       25.17343 0.000000       0.000000 54.61282       25.17343 ?        ?        29.28186 8.366266 ?              ?        
1 1 1 -18 35 17 o 19.40742 7.688878 18.35514       21.70346 24.01000       48.55835 16.94346       24.26171 23.51840 10.46804 19.50208 7.985109 4.016317       13.16594 
1 1 1 -18 35 18 o 25.88962 8.039967 41.88135       22.50701 48.59000       49.58352 40.14034       25.25920 26.61668 11.19854 25.15479 8.568658 1.461887       14.10068 
1 1 1 -18 35 19 o 20.41089 7.846772 22.26270       22.05913 56.24000       48.65686 13.47241       24.74864 27.69467 11.32019 18.90499 7.930182 8.789673       13.82152 
1 1 1 -18 35 20 o 19.49118 7.690638 18.92925       21.63241 83.99000       49.00017 3.179108       24.10906 31.99171 11.82484 16.88235 7.452102 15.10936       13.97715 
1 1 1 -18 35 21 o 26.87042 8.004377 45.49184       22.62281 -3.888000      49.35436 58.62665       25.45438 20.75889 9.717249 30.28187 8.328604 -9.522978      12.79807 
1 1 1 -18 35 22 o 32.62558 8.240285 67.34705       26.31807 61.81000       52.75375 69.18180       30.36696 28.13477 11.67232 32.10293 9.194167 -3.968161      14.85852 
1 1 1 -18 35 23 o 23.69727 8.593028 35.23949       25.68686 10.39000       50.43771 43.94160       29.84757 22.09393 10.16066 25.68150 9.269668 -3.587563      13.75375 
1 1 1 -18 35 24 o 24.77839 8.073298 38.67081       22.47064 -14.60000      51.23843 51.35588       25.00331 20.11885 9.562366 28.17714 8.420110 -8.058283      12.74116 
1 1 1 -18 35 25 o 37.46903 7.970512 87.03513       28.33291 57.94000       53.25982 98.51886       33.46039 27.43970 11.57893 38.79465 8.987977 -11.35495      14.65794 
1 1 1 -18 35 26 o 25.76184 9.784537 45.36339       34.02925 31.89000       52.02243 55.44000       44.98933 24.29772 10.82370 27.23224 10.97493 -2.934519      15.41433 
1 1 1 -18 35 27 o 25.11192 8.103886 40.31415       22.67266 -20.56000      51.08579 55.24576       25.30096 19.50312 9.345745 29.09509 8.410811 -9.591972      12.57317 
1 1 1 -18 35 28 o 38.67564 6.999528 88.80025       25.52272 0.000000       0.000000 88.80025       25.52272 ?        ?        38.67564 6.999528 ?              ?        
1 1 1 -18 35 29 o 17.27566 7.222800 10.84839       20.42754 -109.7000      51.63712 33.21413       22.24196 15.09231 7.602425 23.05138 8.032768 -7.959072      11.05994 
1 1 1 -18 35 30 o 19.63137 7.456566 21.46184       19.76354 21.42000       50.60648 21.46937       21.46837 22.66864 10.33141 19.80018 7.705909 2.868454       12.88872 
1 1 1 -18 35 31 o 14.57554 6.550895 -1.415939      19.51709 -106.7000      50.77398 16.83759       21.14138 14.89743 7.508616 18.58875 7.512030 -3.691325      10.62120 
1 1 1 -18 35 32 o 15.75478 7.013150 2.104661       21.80065 8.291000       49.46852 0.6135992      24.28621 21.00663 9.798774 16.15179 7.279272 4.854839       12.20671 
1 1 1 -18 35 33 o 16.13755 7.863376 -34.89000      40.11923 0.000000       0.000000 -34.89000      40.11923 ?        ?        16.13755 7.863376 ?              ?        
1 1 1 -18 35 34 o 19.17110 9.122754 -6.827000      46.91500 -6.827000      46.91500 0.000000       0.000000 19.17110 9.122754 ?        ?        ?              ?        
1 1 1 -18 36 1  o 23.83797 7.570282 34.27417       19.84456 -47.18000      47.64857 51.36760       21.82770 17.56528 8.561396 29.06377 7.591226 -11.49849      11.44221 
1 1 1 -18 36 2  o 34.99545 6.361396 69.68049       20.98822 1.731000       47.76453 85.93960       23.36473 21.29360 9.826841 38.95247 6.346300 -17.65887      11.69796 
1 1 1 -18 36 3  o 30.21239 7.133398 54.19469       20.75525 44.78000       48.94621 56.25870       22.91771 26.25041 11.08978 30.35805 7.701602 -4.107634      13.50177 
1 1 1 -18 36 4  o 36.96431 8.019249 83.74759       28.17900 28.58000       51.27101 107.6246       33.73025 24.38450 10.81043 41.43835 8.597943 -17.05385      13.81267 
1 1 1 -18 36 5  o 22.63146 8.657071 29.73257       26.75951 -46.20000      50.41187 59.52143       31.57517 18.11185 8.822973 29.61102 9.564122 -11.49918      13.01220 
1 1 1 -18 36 6  o 11.63585 5.622040 -24.62231      19.39941 -26.54000      46.83318 -24.22512      21.31393 18.75788 8.977827 12.40898 5.969731 6.348891       10.78142 
1 1 1 -18 36 7  o 23.06123 8.567138 31.79766       25.77944 39.22000       48.66337 28.90208       30.39478 25.45545 10.91524 22.70510 9.065129 2.750357       14.18869 
1 1 1 -18 36 8  o 18.90810 7.699575 15.46859       22.40680 43.45000       47.89980 7.630466       25.35158 25.97099 10.97111 18.00015 7.799231 7.970837       13.46080 
1 1 1 -18 36 9  o 16.85228 7.309433 5.347530       22.31428 -41.78000      47.38750 18.77476       25.29413 17.79764 8.643483 20.07313 8.178142 -2.275496      11.89923 
1 1 1 -18 36 10 o 19.59455 7.596145 19.66209       20.79828 -18.48000      48.92207 28.07655       22.97818 19.64497 9.339015 21.94946 8.100314 -2.304491      12.36254 
1 1 1 -18 36 11 o 30.32129 8.030305 57.52082       24.20755 51.50000       50.08819 59.35575       27.65137 26.93015 11.28815 30.10944 8.818559 -3.179291      14.32443 
1 1 1 -18 36 12 o 15.52488 6.863523 0.9960313      20.52712 2.102000       48.09863 0.7497386      22.69797 21.17611 9.803810 16.11367 7.165481 5.062447       12.14326 
1 1 1 -18 36 13 f 30.98850 7.474045 58.30271       22.40615 88.66000       51.10078 51.07720       24.93046 32.55661 12.06796 28.22635 8.401351 4.330263       14.70437 
1 1 1 -18 36 14 o 38.88238 7.072474 88.84879       25.92596 0.000000       0.000000 88.84879       25.92596 ?        ?        38.88238 7.072474 ?              ?        
1 1 1 -18 36 15 f 38.16145 7.704253 88.24148       27.78533 20.07000       54.11752 112.6447       32.37877 23.55465 10.71524 42.92566 8.000410 -19.37101      13.37247 
1 1 1 -18 36 16 o 12.65472 6.055949 -21.48480      21.29422 -27.55000      48.23978 -20.01694      23.73148 18.80422 9.029440 13.65873 6.496422 5.145496       11.12359 
1 1 1 -18 36 17 o 40.91627 6.032230 94.29700       23.43515 51.78000       50.64143 105.8834       26.43618 26.74765 11.28901 42.96896 6.487360 -16.22132      13.02027 
1 1 1 -18 36 18 o 17.37721 7.396933 9.018705       22.05573 -55.46000      46.54624 27.68787       25.04603 16.67392 8.196177 21.85171 8.371195 -5.177790      11.71556 
1 1 1 -18 36 19 o 31.52381 7.533281 60.80151       22.92724 56.46000       48.42617 62.05582       26.02936 27.38399 11.25444 31.09218 8.369015 -3.708193      14.02508 
1 1 1 -18 36 20 o 17.51152 7.402897 10.10879       21.83503 -2.342000      46.99415 13.53676       24.65833 20.44883 9.542551 18.75170 7.893803 1.697136       12.38436 
1 1 1 -18 36 21 o 18.96688 7.713666 16.48221       22.45484 -52.10000      47.63822 36.07258       25.46074 17.02963 8.355003 23.86088 8.567916 -6.831249      11.96726 
1 1 1 -18 36 22 o 15.40115 7.131653 -9.134708      25.47140 -40.86000      46.41656 4.535390       30.46884 17.45459 8.494552 18.40981 8.236428 -0.9552231     11.83200 
1 1 1 -18 36 23 o 32.09435 8.412612 66.47229       26.74452 93.26000       52.89425 57.27175       30.99898 32.53992 12.23447 28.68314 9.489751 3.856781       15.48346 
1 1 1 -18 36 24 o 23.15974 8.664763 33.63683       26.46183 56.76000       50.90911 25.07674       30.97499 27.07157 11.36597 21.65210 8.959941 5.419468       14.47293 
1 1 1 -18 36 25 o 18.66908 8.076741 11.22331       27.10450 36.22000       49.68902 0.6349222      32.33957 24.37960 10.73244 18.16582 8.271364 6.213776       13.54993 
1 1 1 -18 36 26 o 20.03859 7.853237 21.72768       22.42412 7.816000       49.54109 25.31233       25.14775 21.44916 9.937021 21.11442 8.303985 0.3347397      12.94993 
1 1 1 -18 36 27 o 34.24109 7.634853 72.68165       24.93642 0.000000       0.000000 72.68165       24.93642 ?        ?        34.24109 7.634853 ?              ?        
1 1 1 -18 36 28 o 11.43558 5.578038 -28.84654      20.33678 -82.09000      50.33526 -18.45970      22.23213 15.80485 7.895963 13.16156 6.267842 2.643292       10.08127 
1 1 1 -18 36 29 o 31.80881 7.077408 61.82713       21.46749 85.14000       52.72639 57.19462       23.50382 30.14340 11.97081 29.74029 7.929444 0.4031143      14.35884 
1 1 1 -18 36 30 o 28.12110 7.394574 50.01547       20.62069 -15.32000      51.22242 62.65190       22.52671 19.33687 9.290193 31.59271 7.413000 -12.25584      11.88529 
1 1 1 -18 36 31 o 17.03188 7.884304 -3.203545      31.09504 -6.758000      47.64124 -0.5655000     41.04286 19.32090 9.193769 18.96660 8.872783 0.3542957      12.77700 
1 1 1 -18 36 32 o 22.27973 9.133714 32.66690       31.79301 10.65000       48.43920 49.33000       42.14023 20.75056 9.684943 24.92345 10.39366 -4.172884      14.20656 
1 1 1 -18 37 1  o 26.49903 7.479718 43.05649       20.24399 13.76000       47.02531 49.72086       22.42867 22.12823 10.03563 28.23310 7.838451 -6.104876      12.73402 
1 1 1 -18 37 2  o 30.14928 7.256902 54.80220       21.15638 35.10000       46.42074 59.96743       23.76838 24.54082 10.59332 31.10641 7.816751 -6.565590      13.16511 
1 1 1 -18 37 3  o 39.26223 5.883983 86.26498       21.91702 100.8000       48.57038 82.54864       24.55960 35.13062 11.88297 37.50848 6.945089 -2.377865      13.76369 
1 1 1 -18 37 4  o 19.17942 7.457658 18.63577       20.09336 -0.6330000     45.23555 23.37220       22.42736 20.47679 9.489621 20.64749 7.918562 -0.1707020     12.35947 
1 1 1 -18 37 5  o 27.27843 9.859362 51.67628       33.77999 50.33000       47.36384 53.07000       48.19114 26.64584 11.05776 27.03505 11.18061 -0.3892117     15.72514 
1 1 1 -18 37 6  o 17.60155 7.783805 4.280061       26.41874 -17.74000      45.61294 15.39607       32.40808 19.06408 9.049832 20.43941 8.837134 -1.375330      12.64889 
1 1 1 -18 37 7  o 25.03675 7.861957 39.00997       21.45860 55.77000       48.43403 34.91663       23.93603 27.42435 11.26150 23.69940 8.327709 3.724949       14.00614 
1 1 1 -18 37 8  o 30.61920 7.199171 56.24992       21.21113 27.26000       49.38611 62.80719       23.48783 23.83204 10.58523 32.07039 7.599364 -8.238346      13.03064 
1 1 1 -18 37 9  o 21.51213 8.584813 25.02971       27.24643 -1.894000      48.88850 37.16000       32.81518 20.90635 9.748393 24.29622 9.506504 -3.389870      13.61634 
1 1 1 -18 37 10 o 29.06394 9.319809 57.29525       30.01941 11.22000       49.83827 83.53000       37.60690 22.21166 10.17221 34.01817 10.36196 -11.80651      14.52048 
1 1 1 -18 37 11 o 21.02083 7.825137 25.17080       21.52821 21.35000       49.02067 26.08380       23.96267 23.10774 10.38414 21.42929 8.193425 1.678453       13.22734 
1 1 1 -18 37 12 o 25.82706 8.394394 42.92759       24.30150 0.000000       0.000000 42.92759       24.30150 ?        ?        25.82706 8.394394 ?              ?        
1 1 1 -18 37 13 o 32.36153 8.158878 66.36209       25.83377 0.000000       0.000000 66.36209       25.83377 ?        ?        32.36153 8.158878 ?              ?        
1 1 1 -18 37 14 o 34.59168 7.033751 71.08389       23.00359 44.18000       50.24157 78.21986       25.87510 25.66174 11.04845 35.78686 7.620502 -10.12512      13.42164 
1 1 1 -18 37 15 o 19.67692 7.800896 19.67145       22.35454 -10.17000      48.36633 27.77795       25.20867 19.99380 9.439860 21.83909 8.390206 -1.845289      12.62959 
1 1 1 -18 37 16 o 23.03451 8.113346 32.88939       22.72929 94.53000       49.96090 16.80184       25.52358 33.26222 11.99463 19.49841 8.106683 13.76381       14.47720 
1 1 1 -18 37 17 o 12.42227 5.987376 -24.51375      21.67900 -43.02000      46.66485 -19.42040      24.48119 17.34469 8.458006 13.89638 6.606254 3.448317       10.73222 
1 1 1 -18 37 18 o 29.93489 7.880751 56.38602       23.40362 14.86000       49.67758 68.23158       26.53248 22.29545 10.18989 32.64139 8.289948 -10.34594      13.13610 
1 1 1 -18 37 19 o 19.21206 7.746727 17.83358       22.42798 -9.047000      46.24604 26.10005       25.64574 19.67915 9.272742 21.41648 8.396895 -1.737331      12.50966 
1 1 1 -18 37 20 o 24.11141 8.117699 36.84618       22.66659 4.796000       47.39175 46.35231       25.81008 21.04174 9.738066 26.48175 8.654016 -5.440008      13.02774 
1 1 1 -18 37 21 o 20.00460 7.872472 21.36656       22.61453 36.88000       47.99326 16.93903       25.63932 24.43385 10.65721 19.46840 8.112110 4.965448       13.39337 
1 1 1 -18 37 22 o 15.88128 7.283749 -5.121039      25.67887 -35.20000      45.94880 8.539938       30.96589 17.57868 8.531129 18.91372 8.392323 -1.335045      11.96709 
1 1 1 -18 37 23 o 17.16319 7.928083 -5.375065      31.19470 22.13000       47.14825 -26.79000      41.60233 22.54402 10.15281 17.34000 8.341528 5.204021       13.14004 
1 1 1 -18 37 24 o 21.34467 8.508189 26.01605       26.73164 10.99000       50.53202 31.85503       31.50015 21.76835 10.06773 22.79437 9.184458 -1.026020      13.62767 
1 1 1 -18 37 25 o 21.64442 8.943387 26.53118       30.79782 0.000000       0.000000 26.53118       30.79782 ?        ?        21.64442 8.943387 ?              ?        
1 1 1 -18 37 26 f 34.14665 7.318139 71.83739       23.72449 23.52000       54.47917 83.14469       26.35470 22.89625 10.54063 36.49354 7.624128 -13.59729      13.00893 
1 1 1 -18 37 27 o 18.05154 7.459852 14.65746       21.43175 -66.38000      50.08311 32.82348       23.71255 16.32429 8.109921 22.54847 8.244176 -6.224176      11.56448 
1 1 1 -18 37 28 o 23.91774 7.831555 37.43640       21.13255 68.76000       50.49322 30.78458       23.26844 27.48282 11.41220 21.91756 8.139795 5.565256       14.01765 
1 1 1 -18 37 29 o 19.88855 7.588201 23.62357       20.52502 42.56000       48.86689 19.56729       22.61672 23.92221 10.58226 19.09118 7.749836 4.831036       13.11656 
1 1 1 -18 37 30 o 20.70433 8.807943 24.20243       31.24053 11.08000       47.71275 34.05000       41.33250 20.61701 9.619112 22.65468 9.885469 -2.037666      13.79311 
1 1 1 -18 38 1  o 21.31801 7.704873 26.72472       20.62954 6.195000       46.52139 31.74985       23.01626 21.15635 9.739925 22.74435 8.148731 -1.587999      12.69913 
1 1 1 -18 38 2  o 18.76056 7.557125 16.43696       21.32032 -4.606000      46.11971 22.15617       24.04368 20.10598 9.405718 20.43575 8.093909 -0.3297634     12.40882 
1 1 1 -18 38 3  o 41.16472 9.084552 111.3447       35.62239 33.00000       48.58779 202.4000       52.38113 24.18906 10.63196 54.10553 10.26616 -29.91647      14.77946 
1 1 1 -18 38 4  o 28.49269 7.577901 50.30746       21.49948 44.90000       47.45586 51.70394       24.11636 25.62478 10.87672 28.36488 8.215093 -2.740101      13.63051 
1 1 1 -18 38 5  o 21.03570 7.747626 25.70677       21.00306 -22.28000      46.67904 37.88785       23.51820 18.75206 8.971807 24.39444 8.268658 -5.642380      12.20098 
1 1 1 -18 38 6  o 24.14206 7.953936 36.61422       21.78467 -26.69000      46.69159 54.22889       24.62973 18.42867 8.857981 28.99946 8.272129 -10.57079      12.11990 
1 1 1 -18 38 7  f 14.66657 6.950720 -18.51328      26.69012 -9.137000      45.75316 -23.34989      32.86068 19.63104 9.241767 15.85143 7.568613 3.779605       11.94547 
1 1 1 -18 38 8  o 23.27597 8.623636 33.87371       26.08820 7.540000       47.20939 45.45060       31.30173 21.33912 9.819567 25.84310 9.468286 -4.503977      13.64083 
1 1 1 -18 38 9  o 28.39769 7.726787 50.40939       22.04508 -8.073000      47.31572 66.62444       24.91449 19.96332 9.398213 32.65047 7.885349 -12.68716      12.26805 
1 1 1 -18 38 10 o 24.39417 8.544271 38.33431       25.18365 -27.95000      48.61884 62.64003       29.44107 18.64781 8.982563 30.32063 9.154217 -11.67282      12.82521 
1 1 1 -18 38 11 o 39.41247 8.473221 99.29404       31.71532 0.000000       0.000000 99.29404       31.71532 ?        ?        39.41247 8.473221 ?              ?        
1 1 1 -18 38 12 o 43.14886 5.857210 104.5718       24.09995 4.026000       52.66233 131.2069       27.10473 21.57128 10.07797 48.39843 5.839347 -26.82715      11.64746 
1 1 1 -18 38 13 o 21.67863 8.013836 28.04591       22.50661 18.85000       49.02524 30.50154       25.33404 22.55563 10.23634 22.38924 8.456334 0.1663914      13.27751 
1 1 1 -18 38 14 o 22.54266 7.989510 31.29039       22.06801 -15.54000      48.17575 43.72628       24.82579 19.42426 9.243590 25.84696 8.489761 -6.422695      12.55070 
1 1 1 -18 38 15 o 26.20722 8.093310 44.12904       22.84325 39.52000       49.17999 45.39696       25.79461 24.81261 10.80581 26.17493 8.656435 -1.362320      13.84555 
1 1 1 -18 38 16 o 44.12739 5.760934 108.9997       24.28969 20.58000       50.40231 135.7463       27.72107 22.80248 10.36047 49.16995 5.875936 -26.36747      11.91075 
1 1 1 -18 38 17 f 26.60295 8.037790 45.43780       22.69182 -8.579000      46.62000 62.20848       25.97664 19.68811 9.287120 30.91151 8.377823 -11.22340      12.50754 
1 1 1 -18 38 18 o 15.90267 7.264152 -3.938257      25.20066 0.000000       0.000000 -3.938257      25.20066 ?        ?        15.90267 7.264152 ?              ?        
1 1 1 -18 38 19 f 22.63625 8.136474 32.16928       22.96772 25.44000       47.79421 34.18993       26.19001 22.89557 10.27395 23.12071 8.626172 -0.2251377     13.41510 
1 1 1 -18 38 20 o 18.60549 7.695100 15.39653       22.83032 -30.39000      47.29856 29.30444       26.06814 18.05533 8.736997 21.96406 8.507094 -3.908730      12.19450 
1 1 1 -18 38 21 o 37.93510 8.133577 91.49957       29.29475 49.22000       49.66821 114.0535       36.27640 25.73608 11.03130 41.08515 9.244703 -15.34907      14.39285 
1 1 1 -18 38 22 o 21.69637 8.607764 28.17645       27.23675 -6.800000      47.20881 45.62762       33.34629 19.67799 9.301429 25.31969 9.669242 -5.641701      13.41681 
1 1 1 -18 38 23 o 19.01644 8.152348 14.63432       27.13424 -4.370000      47.59550 23.78518       33.02712 19.81604 9.358473 21.22920 9.044610 -1.413160      13.01484 
1 1 1 -18 38 24 o 18.99648 8.444258 10.60680       31.49251 0.000000       0.000000 10.60680       31.49251 ?        ?        18.99648 8.444258 ?              ?        
1 1 1 -18 38 25 o 15.58106 7.189814 -5.299288      25.55956 -34.50000      49.53185 5.298134       29.83925 17.80519 8.689442 17.90031 8.067859 -0.9511948E-01 11.85735 
1 1 1 -18 38 26 o 16.28560 7.155773 5.744362       21.99332 -61.19000      48.95487 22.66999       24.61749 16.19252 8.039967 19.97651 8.094083 -3.783995      11.40856 
1 1 1 -18 38 27 o 15.04341 6.774472 0.1349934      20.98793 -98.96000      48.07904 23.46387       23.32797 14.40448 7.265948 19.97169 7.952311 -5.567206      10.77187 
1 1 1 -18 38 28 o 17.58841 8.545042 -25.25000      46.42886 -25.25000      46.42886 0.000000       0.000000 17.58841 8.545042 ?        ?        ?              ?        
1 1 1 -18 39 1  o 30.59579 7.472383 57.76314       22.18221 -17.34000      47.16523 79.09322       25.13560 19.09242 9.102625 36.09793 7.363527 -17.00551      11.70809 
1 1 1 -18 39 2  o 24.34083 8.398639 38.24935       24.28695 -9.426000      45.84952 56.84432       28.63424 19.51257 9.206063 28.81540 9.086377 -9.302830      12.93499 
1 1 1 -18 39 3  o 32.03786 7.230180 62.31940       22.13339 38.47000       47.07003 69.08970       25.07896 24.57294 10.63724 33.20763 7.841743 -8.634695      13.21528 
1 1 1 -18 39 4  f 36.36984 6.595784 77.27725       22.61642 43.92000       48.36625 86.61219       25.58604 25.29689 10.86514 38.04044 7.133490 -12.74355      12.99761 
1 1 1 -18 39 5  o 16.86108 7.191194 8.325225       20.91716 -26.54000      46.32574 17.25357       23.44292 18.27996 8.795910 19.18741 7.851924 -0.9074535     11.79071 
1 1 1 -18 39 6  o 19.33366 7.990326 17.12153       24.59082 -36.22000      47.49233 36.66103       28.74402 17.83356 8.659101 23.80768 9.004032 -5.974127      12.49210 
1 1 1 -18 39 7  o 18.12240 7.779918 10.57600       24.77591 15.87000       48.55294 8.712154       28.80905 22.13950 10.10154 18.59282 8.178991 3.546682       12.99758 
1 1 1 -18 39 8  o 23.66019 8.828506 36.05977       27.43466 42.15000       48.48858 33.19213       33.27249 25.04473 10.81883 23.19251 9.405291 1.852224       14.33550 
1 1 1 -18 39 9  o 37.61356 9.447178 96.98083       34.73029 0.000000       0.000000 96.98083       34.73029 ?        ?        37.61356 9.447178 ?              ?        
1 1 1 -18 39 10 o 18.52369 7.877626 12.69320       24.97513 0.000000       0.000000 12.69320       24.97513 ?        ?        18.52369 7.877626 ?              ?        
1 1 1 -18 39 11 o 17.28992 7.596404 5.846674       24.78035 0.7633000      47.29039 7.770791       29.09461 20.53993 9.580923 18.47915 8.170358 2.060776       12.59162 
1 1 1 -18 39 12 o 23.54238 8.496714 35.56411       25.07664 55.57000       49.84929 28.78626       29.01522 26.72212 11.23485 22.09418 8.844950 4.627943       14.29878 
1 1 1 -18 39 13 o 35.49852 7.098460 75.85934       23.80248 89.15000       51.16182 72.18794       26.88984 31.56626 11.99545 33.43748 8.263844 -1.871229      14.56647 
1 1 1 -18 39 14 o 26.41573 8.041438 45.26118       22.65363 30.09000       48.78884 49.43096       25.57803 23.41627 10.45313 27.13354 8.591881 -3.717278      13.53101 
1 1 1 -18 39 15 o 21.73898 8.066026 28.94149       22.83882 -44.22000      47.71127 50.68919       26.01276 17.23875 8.437576 27.38397 8.663762 -10.14523      12.09353 
1 1 1 -18 39 16 o 18.88171 7.752914 16.78319       22.95312 1.894000       46.63223 21.54390       26.36855 20.37354 9.506858 20.29823 8.319380 0.7530212E-01  12.63299 
1 1 1 -18 39 17 o 21.45969 8.119247 27.80592       23.37790 48.26000       46.67527 20.95647       27.01002 25.51986 10.80758 20.25910 8.373600 5.260761       13.67191 
1 1 1 -18 39 18 o 27.77411 8.319413 51.09050       24.38682 42.93000       48.73676 53.81616       28.16659 24.80053 10.77927 27.81247 9.037150 -3.011940      14.06637 
1 1 1 -18 39 19 o 13.73736 6.517488 -16.83239      23.59146 3.898000       47.11407 -23.76949      27.25436 20.45319 9.547934 14.12131 6.782399 6.331886       11.71170 
1 1 1 -18 39 20 o 23.45707 8.884507 36.98524       28.01014 60.98000       48.68970 25.11633       34.24401 26.81471 11.17649 21.46180 9.178544 5.352903       14.46235 
1 1 1 -18 39 21 o 33.81223 7.755043 73.01608       25.11897 49.79000       49.15348 81.22558       29.22299 25.17176 10.88327 34.67725 8.641016 -9.505489      13.89650 
1 1 1 -18 39 22 o 21.56188 9.069225 27.74173       32.50565 0.000000       0.000000 27.74173       32.50565 ?        ?        21.56188 9.069225 ?              ?        
1 1 1 -18 39 23 o 22.08468 8.736462 32.11587       27.98149 -60.65000      49.41375 75.90311       33.94904 16.27073 8.078590 31.34457 9.895065 -15.07384      12.77403 
1 1 1 -18 39 24 o 16.78419 7.550606 4.037443       25.99647 76.83000       45.35461 -31.57908      31.72515 28.68706 11.19020 14.40470 7.013079 14.28236       13.20621 
1 1 1 -18 39 25 o 14.65127 7.074901 -25.06276      30.61264 1.153000       46.87422 -44.56000      40.42401 19.60141 9.266184 15.41675 7.589957 4.184665       11.97788 
1 1 1 -18 40 1  o 30.39319 7.510409 57.49686       22.21246 20.23000       48.19406 67.54851       25.02942 22.39045 10.15655 32.63814 7.916772 -10.24769      12.87753 
1 1 1 -18 40 2  o 38.19944 6.479829 85.01350       23.36357 -9.002000      50.62283 110.4591       26.33617 20.08805 9.535325 43.76914 6.330896 -23.68110      11.44564 
1 1 1 -18 40 3  o 41.55492 6.804992 101.9411       26.72218 0.000000       0.000000 101.9411       26.72218 ?        ?        41.55492 6.804992 ?              ?        
1 1 1 -18 40 4  o 20.91725 8.146643 25.22624       24.00828 -20.90000      46.12314 42.36871       28.11782 18.52362 8.877395 25.00185 9.000606 -6.478230      12.64196 
1 1 1 -18 40 5  o 36.66666 7.485322 82.72395       25.95515 2.306000       48.36968 115.2429       30.75849 20.66185 9.654861 43.40544 7.511415 -22.74359      12.23265 
1 1 1 -18 40 6  o 51.62667 5.179265 146.2204       25.81957 99.97000       51.37402 161.8506       29.86542 33.12638 12.13104 53.64930 5.778204 -20.52291      13.43688 
1 1 1 -18 40 7  o 26.48549 8.101708 45.83827       22.95805 15.98000       48.86400 54.29646       26.00731 21.89533 10.04408 28.37176 8.611911 -6.476429      13.23059 
1 1 1 -18 40 8  o 34.50244 8.033781 76.15304       26.62321 0.000000       0.000000 76.15304       26.62321 ?        ?        34.50244 8.033781 ?              ?        
1 1 1 -18 40 9  o 34.96242 8.607204 81.03488       29.25531 45.36000       50.55093 99.00062       35.87322 25.07985 10.93826 37.32322 9.723560 -12.24337      14.63534 
1 1 1 -18 40 10 o 20.81223 8.545947 23.61152       27.89043 68.13000       47.86777 0.7300921      34.31742 28.24863 11.34287 18.36639 8.422295 9.882244       14.12784 
1 1 1 -18 40 11 o 16.05589 7.126417 2.663454       22.34549 0.1520000      46.62954 3.412126       25.45919 20.14717 9.435518 16.92634 7.553864 3.220827       12.08676 
1 1 1 -18 40 12 o 21.85593 8.445681 29.32080       25.64913 12.69000       48.39283 35.81789       30.24712 21.48747 9.907336 23.35462 9.130199 -1.867144      13.47278 
1 1 1 -18 40 13 o 19.91646 8.268804 19.76952       26.50147 26.71000       47.46403 16.62571       31.94463 22.81002 10.23676 20.07211 8.725479 2.737913       13.45084 
1 1 1 -18 40 14 o 19.30761 7.898355 18.68709       23.71069 38.85000       47.58257 12.02659       27.34794 24.11523 10.56273 18.62447 8.084944 5.490767       13.30179 
1 1 1 -18 40 15 o 16.77271 7.404267 5.337499       23.80484 -28.25000      47.62066 16.52646       27.48536 18.01495 8.729200 19.33463 8.244631 -1.319679      12.00720 
1 1 1 -18 40 16 o 22.83327 8.286008 34.11940       23.89015 58.28000       48.33013 26.30698       27.48254 26.34690 11.06881 21.11448 8.553232 5.232414       13.98844 
1 1 1 -18 40 17 o 15.09295 6.926877 -4.520137      23.27765 -42.07000      46.75100 7.857444       26.84136 16.93557 8.302279 17.72973 7.842899 -0.7941608     11.42098 
1 1 1 -18 40 18 o 19.45730 8.313792 17.73680       28.04975 -2.596000      46.73519 29.18501       35.06826 19.55288 9.245989 21.91751 9.328277 -2.364630      13.13412 
1 1 1 -18 40 19 o 21.38880 8.212849 29.17373       24.14535 23.64000       47.75562 31.07414       27.98595 21.88023 9.996593 21.87384 8.709996 0.6391525E-02  13.25881 
1 1 1 -18 40 20 o 12.66679 6.129243 -24.74390      23.27205 8.994000       46.69638 -35.89244      26.84314 20.29724 9.485112 12.80651 6.280749 7.490731       11.37608 
1 1 1 -18 40 21 o 14.97897 7.049838 -10.94365      26.59250 0.000000       0.000000 -10.94365      26.59250 ?        ?        14.97897 7.049838 ?              ?        
1 1 1 -18 40 22 o 16.17607 7.396375 -0.3872561     26.21137 55.88000       45.18439 -28.92543      32.17908 25.34004 10.67746 14.68304 7.128973 10.65700       12.83863 
1 1 1 -18 41 1  o 23.12513 7.984303 34.34443       21.95105 -9.441000      47.43926 46.27337       24.76134 19.42206 9.222501 26.21487 8.469728 -6.792810      12.52161 
1 1 1 -18 41 2  f 21.46296 7.936034 28.31748       22.07407 -24.64000      46.99651 43.30772       25.00381 18.24800 8.800368 25.35171 8.525902 -7.103703      12.25306 
1 1 1 -18 41 3  o 26.30709 8.584140 46.97167       25.39953 -56.12000      47.48396 88.29161       30.06180 16.44722 8.121632 36.55359 8.554356 -20.10637      11.79567 
1 1 1 -18 41 4  o 41.75403 6.861807 104.0293       27.07088 48.67000       49.63015 127.4753       32.29868 25.33562 10.94497 45.50790 7.512825 -20.17229      13.27535 
1 1 1 -18 41 5  o 23.06395 8.491068 34.70801       25.22282 0.000000       0.000000 34.70801       25.22282 ?        ?        23.06395 8.491068 ?              ?        
1 1 1 -18 41 6  o 24.19396 8.779296 39.62603       26.81880 0.000000       0.000000 39.62603       26.81880 ?        ?        24.19396 8.779296 ?              ?        
1 1 1 -18 41 7  o 22.92238 9.197348 34.34523       31.44728 0.000000       0.000000 34.34523       31.44728 ?        ?        22.92238 9.197348 ?              ?        
1 1 1 -18 41 8  o 17.66057 7.503993 11.77247       22.62807 36.69000       47.67118 4.525423       25.70893 23.67100 10.46246 17.04660 7.600276 6.624405       12.93164 
1 1 1 -18 41 9  o 23.42030 8.220503 36.27203       23.31929 -25.39000      46.89427 56.52908       26.87813 18.02465 8.716692 28.48718 8.775813 -10.46253      12.36914 
1 1 1 -18 41 10 o 19.16920 8.263974 15.46611       28.17975 -9.543000      45.75781 30.74658       35.76715 18.97134 9.022534 22.30603 9.454290 -3.334688      13.06866 
1 1 1 -18 41 11 o 19.07085 8.225003 15.23899       27.93722 -35.88000      46.02990 45.05208       35.15219 17.16222 8.375865 24.69278 9.784527 -7.530561      12.87991 
1 1 1 -18 41 12 o 15.57516 7.038802 -0.2535105     22.89080 -20.56000      45.36833 6.681506       26.51301 18.02629 8.681644 17.44291 7.751146 0.5833836      11.63835 
1 1 1 -18 41 13 o 29.62137 8.899985 62.30885       27.87736 18.30000       48.27414 84.32813       34.14648 21.46930 9.897600 33.47732 9.798234 -12.00801      13.92723 
1 1 1 -18 41 14 o 16.19238 7.232553 3.362036       23.39246 27.68000       46.00574 -5.117407      27.16640 22.17852 10.00497 15.90265 7.364311 6.275875       12.42306 
1 1 1 -18 41 15 o 20.71000 8.078372 26.65838       23.63669 16.33000       47.81471 29.99859       27.19146 21.06940 9.761524 21.54776 8.583722 -0.4783669     12.99876 
1 1 1 -18 41 16 o 23.30424 8.841070 38.51586       27.76402 43.13000       47.68009 36.14871       34.15111 23.70511 10.47112 22.69493 9.401314 1.010189       14.07228 
1 1 1 -18 41 17 o 19.06782 8.136588 18.06437       26.80319 12.99000       46.02711 20.66812       32.97031 20.38774 9.490555 20.09765 8.798027 0.2900925      12.94125 
1 1 1 -18 41 18 o 17.23012 7.454079 10.74924       23.08565 -0.5516000     45.35615 14.70057       26.81961 19.16441 9.076014 18.49802 8.018384 0.6663818      12.11068 
1 1 1 -18 41 19 o 25.01282 10.86956 57.95000       49.53788 0.000000       0.000000 57.95000       49.53788 ?        ?        25.01282 10.86956 ?              ?        
1 1 1 -18 42 1  o 35.78460 7.104111 79.16262       24.00550 7.669000       48.50285 102.3569       27.62641 20.48924 9.604535 40.69110 7.199529 -20.20186      12.00335 
1 1 1 -18 42 2  o 31.97486 8.283869 68.84493       26.13375 2.112000       47.84750 97.21677       31.19844 19.95618 9.412051 37.89056 8.608403 -17.93437      12.75505 
1 1 1 -18 42 3  o 18.48489 7.559397 17.30972       21.71071 7.572000       45.90863 20.11487       24.64018 20.20326 9.429193 19.42203 8.009793 0.7812309      12.37200 
1 1 1 -18 42 4  o 22.45920 8.007155 33.26305       22.19559 12.31000       49.34983 38.57631       24.85092 20.92707 9.770040 23.68390 8.469378 -2.756826      12.92997 
1 1 1 -18 42 5  o 21.81641 8.402446 31.10741       25.32646 0.000000       0.000000 31.10741       25.32646 ?        ?        21.81641 8.402446 ?              ?        
1 1 1 -18 42 6  o 16.06125 7.151065 3.739911       22.67863 -54.97000      47.52949 21.04670       25.80570 16.19490 8.020271 19.68432 8.164855 -3.489420      11.44507 
1 1 1 -18 42 7  o 17.55864 7.504335 12.17271       22.86356 35.45000       47.38625 5.109423       26.10295 22.95301 10.27012 16.99092 7.610946 5.962090       12.78287 
1 1 1 -18 42 8  o 27.91395 8.709085 55.59988       26.37564 0.000000       0.000000 55.59988       26.37564 ?        ?        27.91395 8.709085 ?              ?        
1 1 1 -18 42 9  o 18.32874 7.696249 16.02397       23.34660 -55.48000      47.23443 39.13998       26.85654 16.03988 7.952617 23.50570 8.741982 -7.465813      11.81805 
1 1 1 -18 42 10 o 26.02376 8.899773 49.72126       27.25405 93.28000       48.03004 29.03546       33.09874 30.76501 11.63825 21.43007 9.089403 9.334930       14.76706 
1 1 1 -18 42 11 o 16.45690 7.547523 -0.9092886E-01 27.56961 -39.03000      45.67947 22.22061       34.57745 16.57641 8.142498 20.43646 8.976242 -3.860043      12.11913 
1 1 1 -18 42 12 o 16.16375 7.444139 -1.466716      27.20980 -51.08000      44.63393 27.87657       34.32579 15.69568 7.772879 21.15850 9.121157 -5.462818      11.98387 
1 1 1 -18 42 13 o 18.06016 7.666225 15.05931       23.57733 -19.56000      45.20992 27.99207       27.63250 17.66714 8.547404 20.91090 8.537108 -3.243759      12.08058 
1 1 1 -18 42 14 o 19.52601 8.665167 17.32411       33.02312 52.07000       44.70401 -24.41000      48.99371 24.53595 10.49002 17.84043 8.692369 6.695517       13.62343 
1 1 1 -18 42 15 o 19.82096 9.259729 11.45000       44.44823 11.45000       44.44823 0.000000       0.000000 19.82096 9.259729 ?        ?        ?              ?        
1 1 1 -18 43 1  o 19.26816 8.254271 19.26158       27.77978 35.74000       46.19719 9.928000       34.76818 22.48691 10.09489 18.76493 8.556564 3.721979       13.23335 
1 1 1 -18 43 2  f 12.94407 6.233820 -21.17941      23.38759 -16.53000      44.42558 -22.96199      27.50803 17.70753 8.543838 13.93468 6.723346 3.772857       10.87201 
1 1 1 -18 43 3  o 20.79469 8.287022 28.02833       25.35409 0.000000       0.000000 28.02833       25.35409 ?        ?        20.79469 8.287022 ?              ?        
1 1 1 -18 43 4  o 30.46414 8.472386 65.47188       26.17865 0.000000       0.000000 65.47188       26.17865 ?        ?        30.46414 8.472386 ?              ?        
1 1 1 -18 43 5  o 29.81700 7.918357 60.12940       23.49664 38.43000       46.01983 67.78082       27.32700 22.79416 10.16533 30.72684 8.696184 -7.932678      13.37750 
1 1 1 -18 43 6  o 18.09929 7.618389 16.03625       22.96399 -41.21000      45.29935 35.83607       26.64091 16.27723 8.017658 22.47068 8.627203 -6.193453      11.77758 
1 1 1 -18 43 7  o 26.65617 10.00986 60.53100       35.38374 42.84000       46.45770 84.97000       54.60384 23.11495 10.26667 27.62176 11.69325 -4.506813      15.56074 
1 1 1 -18 43 8  o 15.24692 7.378767 -23.56967      33.75781 -61.02000      44.43116 27.57000       51.92049 15.03506 7.496854 21.61663 10.06840 -6.581564      12.55291 
1 1 1 -17 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  2  o 299.2359 8.249890 4408.712       241.2243 4408.712       241.2243 4408.712       241.2243 299.2359 8.249890 299.2359 8.249890 -0.000000      0.000000 
1 1 1 -17 0  3  o 425.2368 11.43312 8933.235       475.1071 8933.235       475.1071 8933.235       475.1071 425.2368 11.43312 425.2368 11.43312 0.000000       0.000000 
1 1 1 -17 0  4  o 18.66270 9.116889 25.18620       19.66292 25.18620       19.66292 25.18620       19.66292 18.66270 9.116889 18.66270 9.116889 -0.000000      0.000000 
1 1 1 -17 0  5  o 10.19094 6.791158 -5.887470      18.34952 -5.887470      18.34952 -5.887470      18.34952 10.19094 6.791158 10.19094 6.791158 -0.000000      0.000000 
1 1 1 -17 0  6  o 31.09726 8.177878 56.23895       21.50629 56.23895       21.50629 56.23895       21.50629 31.09726 8.177878 31.09726 8.177878 -0.000000      0.000000 
1 1 1 -17 0  7  o 198.5021 5.909236 1937.537       114.5856 1937.537       114.5856 1937.537       114.5856 198.5021 5.909236 198.5021 5.909236 -0.000000      0.000000 
1 1 1 -17 0  8  o 192.2890 5.776716 1818.134       108.5058 1818.134       108.5058 1818.134       108.5058 192.2890 5.776716 192.2890 5.776716 -0.000000      0.000000 
1 1 1 -17 0  9  o 168.9915 5.300936 1404.218       87.48914 1404.218       87.48914 1404.218       87.48914 168.9915 5.300936 168.9915 5.300936 -0.000000      0.000000 
1 1 1 -17 0  10 o 29.34363 9.250120 53.16838       23.34016 53.16838       23.34016 53.16838       23.34016 29.34363 9.250120 29.34363 9.250120 0.000000       0.000000 
1 1 1 -17 0  11 o 15.93745 10.34838 -2.381000      38.55788 -2.381000      38.55788 -2.381000      38.55788 15.93745 10.34838 15.93745 10.34838 0.000000       0.000000 
1 1 1 -17 0  12 o 49.06482 10.77721 134.2000       45.30051 134.2000       45.30051 134.2000       45.30051 49.06482 10.77721 49.06482 10.77721 0.000000       0.000000 
1 1 1 -17 0  13 o 51.49430 10.50173 145.6000       46.82270 145.6000       46.82270 145.6000       46.82270 51.49430 10.50173 51.49430 10.50173 0.000000       0.000000 
1 1 1 -17 0  14 o 107.5625 6.911981 575.1000       72.07479 575.1000       72.07479 575.1000       72.07479 107.5625 6.911981 107.5625 6.911981 0.000000       0.000000 
1 1 1 -17 0  15 o 221.7724 9.329607 2435.000       201.7072 2435.000       201.7072 2435.000       201.7072 221.7724 9.329607 221.7724 9.329607 -0.000000      0.000000 
1 1 1 -17 0  16 o 154.1308 5.176624 1168.949       77.89857 1168.949       77.89857 1168.949       77.89857 154.1308 5.176624 154.1308 5.176624 -0.000000      0.000000 
1 1 1 -17 0  17 f 11.07258 7.565978 -16.06404      25.70595 -16.06404      25.70595 -16.06404      25.70595 11.07258 7.565978 11.07258 7.565978 -0.000000      0.000000 
1 1 1 -17 0  18 o 122.3112 4.800327 736.9550       57.26883 736.9550       57.26883 736.9550       57.26883 122.3112 4.800327 122.3112 4.800327 0.000000       0.000000 
1 1 1 -17 0  19 o 149.3778 7.003296 1104.000       101.8842 1104.000       101.8842 1104.000       101.8842 149.3778 7.003296 149.3778 7.003296 0.000000       0.000000 
1 1 1 -17 0  20 o 89.49108 6.220795 399.0000       53.87660 399.0000       53.87660 399.0000       53.87660 89.49108 6.220795 89.49108 6.220795 -0.000000      0.000000 
1 1 1 -17 0  21 o 193.5335 8.281303 1856.000       156.2226 1856.000       156.2226 1856.000       156.2226 193.5335 8.281303 193.5335 8.281303 -0.000000      0.000000 
1 1 1 -17 0  22 o 150.9213 7.012154 1128.000       103.0766 1128.000       103.0766 1128.000       103.0766 150.9213 7.012154 150.9213 7.012154 0.000000       0.000000 
1 1 1 -17 0  23 o 14.24007 8.692016 8.760874       22.92037 8.760874       22.92037 8.760874       22.92037 14.24007 8.692016 14.24007 8.692016 0.000000       0.000000 
1 1 1 -17 0  24 o 31.19357 9.319691 59.18332       24.77447 59.18332       24.77447 59.18332       24.77447 31.19357 9.319691 31.19357 9.319691 0.000000       0.000000 
1 1 1 -17 0  25 o 127.8317 7.087184 813.2000       88.05085 813.2000       88.05085 813.2000       88.05085 127.8317 7.087184 127.8317 7.087184 0.000000       0.000000 
1 1 1 -17 0  26 o 33.43398 9.052648 65.98154       25.60250 65.98154       25.60250 65.98154       25.60250 33.43398 9.052648 33.43398 9.052648 0.000000       0.000000 
1 1 1 -17 0  27 o 131.3942 4.781204 852.0813       61.30718 852.0813       61.30718 852.0813       61.30718 131.3942 4.781204 131.3942 4.781204 -0.000000      0.000000 
1 1 1 -17 0  28 o 139.0614 4.936751 955.1614       67.00532 955.1614       67.00532 955.1614       67.00532 139.0614 4.936751 139.0614 4.936751 0.000000       0.000000 
1 1 1 -17 0  29 f 92.53175 4.560025 424.2668       41.07154 424.2668       41.07154 424.2668       41.07154 92.53175 4.560025 92.53175 4.560025 0.000000       0.000000 
1 1 1 -17 0  30 o 41.95600 7.264467 94.58963       27.15476 94.58963       27.15476 94.58963       27.15476 41.95600 7.264467 41.95600 7.264467 0.000000       0.000000 
1 1 1 -17 0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  33 o 42.99753 7.669011 100.3601       29.21945 100.3601       29.21945 100.3601       29.21945 42.99753 7.669011 42.99753 7.669011 -0.000000      0.000000 
1 1 1 -17 0  34 o 36.43876 9.576312 78.89583       29.50977 78.89583       29.50977 78.89583       29.50977 36.43876 9.576312 36.43876 9.576312 0.000000       0.000000 
1 1 1 -17 0  35 o 14.39827 9.095033 5.670360       27.33526 5.670360       27.33526 5.670360       27.33526 14.39827 9.095033 14.39827 9.095033 0.000000       0.000000 
1 1 1 -17 0  36 o 16.80230 9.932815 17.28000       28.08453 17.28000       28.08453 17.28000       28.08453 16.80230 9.932815 16.80230 9.932815 0.000000       0.000000 
1 1 1 -17 0  37 o 49.39556 7.160294 129.5531       32.50310 129.5531       32.50310 129.5531       32.50310 49.39556 7.160294 49.39556 7.160294 0.000000       0.000000 
1 1 1 -17 0  38 o 8.968450 6.460761 -48.52359      28.26208 -48.52359      28.26208 -48.52359      28.26208 8.968450 6.460761 8.968450 6.460761 -0.000000      0.000000 
1 1 1 -17 0  39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  40 o 16.18061 10.97907 -18.35000      52.16992 -18.35000      52.16992 -18.35000      52.16992 16.18061 10.97907 16.18061 10.97907 0.000000       0.000000 
1 1 1 -17 0  41 o 25.05865 14.38887 51.42000       56.21992 51.42000       56.21992 51.42000       56.21992 25.05865 14.38887 25.05865 14.38887 0.000000       0.000000 
1 1 1 -17 0  42 o 25.89566 12.10926 53.22388       34.27827 53.22388       34.27827 53.22388       34.27827 25.89566 12.10926 25.89566 12.10926 0.000000       0.000000 
1 1 1 -17 0  43 o 69.47147 8.325061 260.2000       54.46226 260.2000       54.46226 260.2000       54.46226 69.47147 8.325061 69.47147 8.325061 0.000000       0.000000 
1 1 1 -17 0  44 o 9.842202 7.056367 -47.24963      31.99073 -47.24963      31.99073 -47.24963      31.99073 9.842202 7.056367 9.842202 7.056367 -0.000000      0.000000 
1 1 1 -17 0  45 o 15.04456 9.684015 5.521872       32.79943 5.521872       32.79943 5.521872       32.79943 15.04456 9.684015 15.04456 9.684015 0.000000       0.000000 
1 1 1 -17 0  46 o 15.37717 9.825748 7.917837       32.99728 7.917837       32.99728 7.917837       32.99728 15.37717 9.825748 15.37717 9.825748 0.000000       0.000000 
1 1 1 -17 0  47 o 19.60451 11.29629 30.43160       34.83006 30.43160       34.83006 30.43160       34.83006 19.60451 11.29629 19.60451 11.29629 -0.000000      0.000000 
1 1 1 -17 0  48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  49 o 75.25455 6.105250 295.4739       44.26915 295.4739       44.26915 295.4739       44.26915 75.25455 6.105250 75.25455 6.105250 -0.000000      0.000000 
1 1 1 -17 0  50 o 19.69415 11.29728 32.07631       34.60608 32.07631       34.60608 32.07631       34.60608 19.69415 11.29728 19.69415 11.29728 -0.000000      0.000000 
1 1 1 -17 0  51 o 27.33074 12.30960 61.41883       35.28264 61.41883       35.28264 61.41883       35.28264 27.33074 12.30960 27.33074 12.30960 0.000000       0.000000 
1 1 1 -17 0  52 o 19.22378 11.10730 30.26299       33.81457 30.26299       33.81457 30.26299       33.81457 19.22378 11.10730 19.22378 11.10730 -0.000000      0.000000 
1 1 1 -17 0  53 o 33.50309 12.01405 81.90993       36.01093 81.90993       36.01093 81.90993       36.01093 33.50309 12.01405 33.50309 12.01405 0.000000       0.000000 
1 1 1 -17 0  54 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 0  55 o 24.92303 14.28992 61.28000       55.33008 61.28000       55.33008 61.28000       55.33008 24.92303 14.28992 24.92303 14.28992 0.000000       0.000000 
1 1 1 -17 0  56 o 77.22674 8.790545 335.8000       64.22719 335.8000       64.22719 335.8000       64.22719 77.22674 8.790545 77.22674 8.790545 0.000000       0.000000 
1 1 1 -17 0  57 o 14.29831 9.883008 -19.28000      46.88436 -19.28000      46.88436 -19.28000      46.88436 14.29831 9.883008 14.29831 9.883008 -0.000000      0.000000 
1 1 1 -17 0  58 o 23.00829 12.08275 49.18275       35.96262 49.18275       35.96262 49.18275       35.96262 23.00829 12.08275 23.00829 12.08275 0.000000       0.000000 
1 1 1 -17 1  1  o 119.5404 4.229280 701.6210       49.40860 706.9000       70.06826 696.4000       69.68195 119.7967 5.994491 118.8999 6.006782 0.8968124      8.486185 
1 1 1 -17 1  2  o 252.2729 5.009923 3123.377       123.7109 3149.882       176.1939 3097.605       173.7392 252.8839 7.125192 250.7841 7.084790 2.099854       10.04802 
1 1 1 -17 1  3  o 107.7888 3.009202 569.6390       31.71800 585.4490       45.42944 554.6027       44.30380 109.1789 4.259183 106.2585 4.268309 2.920433       6.029851 
1 1 1 -17 1  4  o 199.7052 4.158299 1955.710       81.28519 1956.180       115.0243 1955.240       114.8851 199.4461 5.898414 199.3991 5.892654 0.4704285E-01  8.337545 
1 1 1 -17 1  5  o 243.4558 4.865837 2908.687       115.9535 2955.697       165.8233 2863.708       162.2027 244.9791 6.922229 241.1432 6.878932 3.835922       9.758943 
1 1 1 -17 1  6  o 15.57284 6.131502 6.682453       13.72431 -1.850545      18.85205 16.30421       20.01866 15.70828 6.765495 20.51744 7.562645 -4.809165      10.14719 
1 1 1 -17 1  7  o 42.46235 3.963266 89.17343       16.28238 117.5612       22.92234 60.26242       23.13264 48.70125 4.873950 34.36133 7.112295 14.33992       8.622072 
1 1 1 -17 1  8  o 74.80923 3.128811 274.6985       22.86025 276.0300       32.44737 273.3862       32.21246 74.87955 4.447035 74.51990 4.436244 0.3596573      6.281432 
1 1 1 -17 1  9  o 254.7538 5.069023 3186.421       126.4012 3248.887       181.0826 3127.062       176.5211 256.7208 7.213403 251.8694 7.167322 4.851395       10.16876 
1 1 1 -17 1  10 o 276.2840 6.290299 3754.693       170.1113 3812.967       210.1716 3644.000       289.6656 277.9584 7.732324 270.5901 10.95918 7.368286       13.41240 
1 1 1 -17 1  11 o 165.5699 4.311358 1345.813       69.81232 1349.141       85.17481 1339.000       121.8610 165.6498 5.259747 164.6184 7.583127 1.031372       9.228691 
1 1 1 -17 1  12 o 205.6343 6.161800 2081.880       123.8851 2094.000       176.0822 2070.000       174.3310 205.6089 8.769316 204.4355 8.731997 1.173401       12.37533 
1 1 1 -17 1  13 o 76.30653 5.147031 287.2966       38.21874 287.5000       54.51949 287.1000       53.59137 76.00302 7.423007 75.97102 7.296373 0.3200531E-01  10.40856 
1 1 1 -17 1  14 o 35.26819 8.945525 63.92895       30.92290 79.83000       43.85806 48.21000       43.60620 39.46467 10.96272 32.60077 11.25351 6.863903       15.71059 
1 1 1 -17 1  15 o 51.72874 5.076041 132.7021       25.37119 99.81000       47.34171 145.9553       30.05100 43.92551 11.02837 54.17892 5.754509 -10.25341      12.43942 
1 1 1 -17 1  16 o 91.14125 3.908712 408.2319       34.78919 378.0000       63.26270 421.3376       41.65274 87.20037 7.484106 92.52114 4.613907 -5.320770      8.792040 
1 1 1 -17 1  17 o 51.90709 4.297215 133.1508       21.63786 158.5699       31.48203 110.3918       29.78920 56.48110 5.775702 46.86593 6.682828 9.615173       8.832832 
1 1 1 -17 1  18 o 67.47009 4.089481 224.2345       26.88076 206.6000       42.13293 236.3399       34.90839 64.37352 6.788754 69.14134 5.196069 -4.767822      8.549053 
1 1 1 -17 1  19 o 77.08913 3.916604 292.3921       29.45667 380.8000       49.20405 243.0076       36.77483 87.76218 5.759623 70.07671 5.403000 17.68547       7.897194 
1 1 1 -17 1  20 o 219.7150 6.392769 2382.784       137.3387 2350.000       192.1845 2417.000       196.3344 217.2745 9.056423 220.3276 9.123509 -3.053146      12.85524 
1 1 1 -17 1  21 o 125.1838 3.913577 770.1330       47.89548 757.3331       59.45274 793.8000       80.84283 123.9915 4.908316 126.6313 6.544402 -2.639809      8.180511 
1 1 1 -17 1  22 o 104.2722 4.260138 535.1638       43.38932 502.9000       59.73424 571.2000       63.13003 100.7732 6.084148 107.4324 6.027531 -6.659248      8.564343 
1 1 1 -17 1  23 o 148.2563 4.051224 1080.854       58.73520 1111.850       73.72520 1027.000       97.17856 150.1787 5.022419 143.8563 6.921682 6.322403       8.551864 
1 1 1 -17 1  24 o 58.59796 4.354745 169.8363       24.79910 175.0000       46.70135 167.8085       29.26622 58.68583 8.366628 58.11485 5.199741 0.5709877      9.850775 
1 1 1 -17 1  25 o 143.3688 3.464774 1009.708       48.62233 998.4150       68.33990 1021.284       69.19276 142.2154 4.916718 143.8355 4.921853 -1.620148      6.956921 
1 1 1 -17 1  26 o 134.1109 3.847028 885.4609       50.44831 783.6000       80.52874 951.2603       64.72289 125.4349 6.581861 138.7910 4.771298 -13.35617      8.129341 
1 1 1 -17 1  27 o 70.43083 3.947797 245.0228       27.10704 246.0656       32.22606 242.5000       50.12422 70.44678 4.700364 69.24298 7.515874 1.203796       8.864636 
1 1 1 -17 1  28 o 72.97221 3.323051 262.4426       23.67333 249.2647       32.96528 276.4755       34.01781 70.84539 4.781793 74.65058 4.679040 -3.805191      6.690214 
1 1 1 -17 1  29 o 82.43476 3.255216 334.8816       26.21451 331.4416       36.72757 338.4541       37.42819 81.72810 4.609764 82.58116 4.649100 -0.8530655     6.547065 
1 1 1 -17 1  30 o 82.36025 3.327846 334.6114       26.77268 318.6270       37.38582 351.4373       38.35744 80.02582 4.794758 84.09071 4.678545 -4.064896      6.699141 
1 1 1 -17 1  31 o 68.93945 3.541333 235.0617       23.81678 231.9057       33.68397 238.2171       33.68005 68.09585 5.090382 69.04166 5.017992 -0.9458160     7.147883 
1 1 1 -17 1  32 o 20.21713 7.209698 18.18927       17.99583 5.210978       25.01376 32.11403       25.90979 19.13500 7.995825 25.60971 8.678921 -6.474705      11.80072 
1 1 1 -17 1  33 o 24.34532 7.258048 30.69427       18.59491 54.26976       26.26001 6.984850       26.33450 31.86381 8.328223 19.85520 8.242985 12.00861       11.71777 
1 1 1 -17 1  34 o 23.41594 7.531611 27.71937       19.59432 -1.343693      27.31386 58.53436       28.12506 18.64347 8.086629 32.95658 8.621368 -14.31312      11.82039 
1 1 1 -17 1  35 o 14.97491 6.643224 -5.418110      19.39332 14.90511       26.82199 -27.68195      28.07338 21.49104 8.536918 15.35930 7.233366 6.131744       11.18931 
1 1 1 -17 1  36 o 40.16949 5.685990 82.90684       21.73253 72.67575       30.07015 94.09473       31.44479 36.58458 8.551404 41.98926 7.941590 -5.404682      11.67028 
1 1 1 -17 1  37 o 26.78644 7.721062 38.31167       21.35011 51.21063       30.07191 25.20176       30.31682 30.67332 9.249827 24.34548 9.238008 6.327835       13.07288 
1 1 1 -17 1  38 o 23.95234 7.896258 29.38027       21.46871 22.14206       30.07612 36.89972       30.65484 23.56871 9.135215 26.97944 9.428452 -3.410727      13.12813 
1 1 1 -17 1  39 o 41.23040 7.078436 90.47551       27.53817 77.93784       31.95034 126.7000       54.30854 37.42541 8.859936 46.03552 11.94931 -8.610111      14.87563 
1 1 1 -17 1  40 o 27.53215 7.993911 41.57520       22.80922 32.27721       31.29165 52.11628       33.31781 25.66684 9.456149 30.47637 9.822825 -4.809526      13.63476 
1 1 1 -17 1  41 o 30.86453 8.914151 54.15490       28.43188 115.6000       55.89984 32.71213       33.02231 42.61278 12.55415 25.78244 9.672526 16.83034       15.84817 
1 1 1 -17 1  42 o 23.88427 9.512926 23.78109       33.39177 0.000000       0.000000 23.78109       33.39177 ?        ?        23.88427 9.512926 ?              ?        
1 1 1 -17 1  43 o 29.55495 8.114990 49.60407       24.18855 43.99828       32.95467 56.15171       35.61565 27.95539 9.775302 30.81679 10.17092 -2.861395      14.10688 
1 1 1 -17 1  44 o 25.56539 8.727827 36.08284       26.20881 32.82682       32.57431 42.06000       44.13467 25.34565 9.585305 28.19046 11.02644 -2.844816      14.61028 
1 1 1 -17 1  45 o 24.82161 8.244885 34.13274       23.39328 48.61881       33.16780 19.79372       32.99903 28.81044 9.818771 22.79339 9.320318 6.017054       13.53797 
1 1 1 -17 1  46 o 23.98814 8.383363 31.36968       24.23577 27.15471       34.62577 35.41787       33.93381 24.23009 9.675008 25.75668 9.773545 -1.526588      13.75238 
1 1 1 -17 1  47 o 19.83575 8.059267 14.29983       24.48428 13.92693       35.71925 14.63032       33.62736 22.06062 9.402654 21.77837 9.195823 0.2822456      13.15192 
1 1 1 -17 1  48 o 21.53257 8.258918 22.31917       24.39858 -11.80344      34.95827 54.72695       34.06854 18.41066 8.463932 29.71851 9.951631 -11.30785      13.06419 
1 1 1 -17 1  49 f 49.78134 5.593954 132.2438       26.78672 112.2153       38.30838 151.4050       37.46982 42.74238 9.411601 51.56210 7.656224 -8.819714      12.13244 
1 1 1 -17 1  50 o 41.72791 6.588952 96.53455       26.02001 99.24960       37.83738 94.09863       35.83955 39.58433 9.814382 38.79026 9.512968 0.7940712      13.66816 
1 1 1 -17 1  51 o 68.25010 4.415404 240.6840       29.33884 265.4830       42.84351 218.7859       40.25970 69.79995 6.339907 63.04082 6.623233 6.759129       9.168513 
1 1 1 -17 1  52 o 33.23310 7.832382 65.06557       25.05848 36.78845       36.12814 91.28083       34.78605 25.48042 9.973380 38.19945 9.374537 -12.71903      13.68759 
1 1 1 -17 1  53 o 51.34586 6.672763 146.5354       32.74396 150.0340       39.88242 139.3000       57.35395 50.32310 8.392063 43.11427 12.72019 7.208836       15.23910 
1 1 1 -17 1  54 o 27.92730 10.37615 50.01873       37.81810 85.05000       54.38110 17.21000       52.62774 33.46948 12.44119 24.23995 10.83621 9.229534       16.49869 
1 1 1 -17 1  55 o 37.23077 9.915541 90.47271       36.77795 0.000000       0.000000 90.47271       36.77795 ?        ?        37.23077 9.915541 ?              ?        
1 1 1 -17 1  56 o 32.42772 9.013250 66.90963       29.63711 73.73000       50.86098 63.40316       36.46830 31.31080 11.94536 30.50983 10.29674 0.8009720      15.77068 
1 1 1 -17 1  57 o 33.72830 8.801373 72.41163       29.35967 43.22212       36.55048 125.5000       49.29233 25.96942 10.06925 40.98329 11.70634 -15.01387      15.44112 
1 1 1 -17 1  58 o 23.73343 8.475794 34.57069       24.88014 44.82918       35.81327 25.00089       34.59025 25.99937 9.997376 22.38636 9.381896 3.613010       13.71012 
1 1 1 -17 2  1  o 150.8077 4.942458 1117.302       72.85941 1193.000       107.5073 1053.000       99.08481 155.5345 7.080199 146.1253 6.947381 9.409210       9.919441 
1 1 1 -17 2  2  o 96.34940 3.413839 455.4959       32.14485 537.2000       61.75355 425.1299       37.64737 104.3784 6.070482 93.01998 4.145190 11.35843       7.350738 
1 1 1 -17 2  3  o 120.4524 4.268343 712.4311       50.24514 622.3000       66.88221 829.2000       76.12670 112.3615 6.104088 129.7619 6.009867 -17.40035      8.566118 
1 1 1 -17 2  4  o 244.1546 4.876660 2925.418       116.5450 2958.824       166.1818 2893.086       163.4902 245.1084 6.933548 242.3758 6.898239 2.732620       9.780582 
1 1 1 -17 2  5  o 118.8002 3.115567 691.9846       36.19807 692.4769       51.33622 691.4979       51.04861 118.7334 4.424916 118.6515 4.403100 0.8195496E-01  6.242369 
1 1 1 -17 2  6  o 42.12221 4.046485 87.80055       16.47882 112.7575       23.46167 63.50105       23.15058 47.65561 5.109334 35.31634 6.944605 12.33927       8.621649 
1 1 1 -17 2  7  o 162.1752 3.633151 1289.231       57.67319 1306.253       82.43864 1272.915       80.71314 163.0290 5.172608 160.9386 5.130185 2.090424       7.285237 
1 1 1 -17 2  8  o 28.16124 5.795810 40.39855       15.44320 32.91671       21.25614 48.76281       22.47472 25.75206 7.779079 30.84949 7.513627 -5.097437      10.81520 
1 1 1 -17 2  9  o 103.7841 3.591003 528.6367       36.42487 525.1104       43.92495 536.4000       65.17542 103.3690 4.350979 104.2264 6.419666 -0.8574142     7.755200 
1 1 1 -17 2  10 o 9.578000 4.747826 -39.96389      16.80309 -30.48305      18.91164 -75.51000      36.61862 11.48015 5.547814 14.80277 7.275079 -3.322622      9.149045 
1 1 1 -17 2  11 o 151.0484 4.104002 1119.923       60.62158 1125.282       74.01346 1109.000       105.6667 151.3015 5.004483 149.8471 7.225458 1.454407       8.789317 
1 1 1 -17 2  12 o 34.40518 6.400017 60.10346       20.76013 75.21455       24.15335 17.37000       40.61753 38.55056 6.640510 26.23683 10.47791 12.31374       12.40496 
1 1 1 -17 2  13 o 207.2537 6.220726 2115.412       126.0543 1993.000       172.6967 2255.000       184.4153 200.5284 8.819941 213.3159 8.851402 -12.78757      12.49555 
1 1 1 -17 2  14 f 75.43010 4.080160 279.9342       30.01293 239.3000       53.97617 298.1203       36.10990 69.13732 8.131249 77.77666 4.766079 -8.639336      9.425112 
1 1 1 -17 2  15 f 131.3788 3.971543 847.4727       51.01430 789.3000       88.66043 876.2642       62.37386 126.3134 7.200737 133.4985 4.781034 -7.185059      8.643431 
1 1 1 -17 2  16 o 64.56557 4.455429 205.6093       27.98501 171.5000       52.89946 218.8651       32.97756 58.04075 9.650051 66.54700 5.101620 -8.506248      10.91559 
1 1 1 -17 2  17 o 102.3385 4.639434 515.3943       46.35318 0.000000       0.000000 515.3943       46.35318 ?        ?        102.3385 4.639434 ?              ?        
1 1 1 -17 2  18 o 26.56262 7.531112 35.75982       20.47664 35.24000       30.72401 36.17524       27.46582 27.70986 9.449998 27.45199 8.924317 0.2578735      12.99792 
1 1 1 -17 2  19 o 64.34889 4.180822 204.1440       26.19096 193.0000       40.18161 212.3763       34.53549 62.19385 6.706347 65.47781 5.437484 -3.283962      8.633732 
1 1 1 -17 2  20 o 14.85966 6.582410 -6.406921      18.97087 -16.24012      26.12237 4.566967       27.59596 16.33162 7.435308 20.21474 8.418958 -3.883121      11.23221 
1 1 1 -17 2  21 o 130.8571 3.921001 841.4946       50.16610 819.1298       62.02466 883.8000       85.30614 128.9523 4.922974 133.6286 6.541790 -4.676270      8.187227 
1 1 1 -17 2  22 o 116.2792 3.761908 664.5334       42.76066 644.8380       52.94025 701.5000       72.52828 114.3990 4.738038 119.0391 6.246459 -4.640137      7.840105 
1 1 1 -17 2  23 o 70.85732 5.034970 248.4907       34.69360 200.3000       56.00472 278.5000       44.19482 62.63761 9.426368 74.85206 6.084426 -12.21445      11.21948 
1 1 1 -17 2  24 o 153.6124 4.123061 1161.113       61.93832 1139.026       75.65775 1206.000       107.8554 151.9276 5.094777 155.7416 7.093699 -3.813995      8.733688 
1 1 1 -17 2  25 o 89.71458 3.146034 395.6180       27.58418 397.8461       38.65735 393.3068       39.37231 89.78114 4.412382 89.24741 4.521750 0.5337219      6.317859 
1 1 1 -17 2  26 o 81.66342 3.146089 327.9976       25.10104 337.7960       35.35121 318.0346       35.64709 82.68707 4.383438 80.19367 4.560069 2.493393       6.325247 
1 1 1 -17 2  27 o 85.53204 3.550323 360.4641       29.65907 333.7000       47.47574 377.5955       37.98315 81.78130 5.971940 87.37796 4.455732 -5.596664      7.451015 
1 1 1 -17 2  28 o 105.3173 3.759898 547.0322       38.69766 550.4824       46.53734 539.3000       69.66715 105.4708 4.518252 103.6346 6.907218 1.836212       8.253742 
1 1 1 -17 2  29 o 73.73859 3.336036 268.1707       24.01627 251.1705       33.33534 286.5169       34.62991 71.05814 4.821301 75.94797 4.681063 -4.889832      6.719918 
1 1 1 -17 2  30 o 98.53246 3.660477 479.4619       35.24257 482.3000       57.06677 477.7122       44.80834 98.09871 5.971395 98.07333 4.681201 0.2537537E-01  7.587569 
1 1 1 -17 2  31 o 63.34774 3.714126 198.8060       22.92897 239.1294       32.51584 158.9230       32.33780 69.22093 4.829297 56.04428 5.987500 13.17665       7.692351 
1 1 1 -17 2  32 o 49.16550 4.310190 120.7848       20.53299 108.2206       27.79979 135.8667       30.45799 45.95874 6.349123 51.64963 6.144927 -5.690891      8.835807 
1 1 1 -17 2  33 f 46.11162 4.694946 106.8986       20.89556 110.2516       28.91210 103.2321       30.23374 46.27233 6.567681 44.53884 7.179016 1.733494       9.729990 
1 1 1 -17 2  34 o 45.50552 4.869079 104.4993       21.35116 101.3915       29.50817 107.9143       30.93236 44.10042 7.075029 45.48342 7.186326 -1.382999      10.08461 
1 1 1 -17 2  35 o 32.16976 6.855762 54.65575       20.92722 69.55688       29.21698 38.95647       29.98925 35.87456 8.458971 27.65694 9.337369 8.217621       12.59923 
1 1 1 -17 2  36 o 29.40623 7.286976 46.18979       20.86703 44.90188       28.68165 47.63811       30.41551 29.03059 9.085488 29.83191 9.358950 -0.8013172     13.04362 
1 1 1 -17 2  37 o 88.68130 3.599402 390.8103       31.17922 422.3463       44.14687 359.4248       44.04148 91.59038 4.942603 84.26028 5.367805 7.330093       7.296756 
1 1 1 -17 2  38 o 16.34096 7.357847 -9.360798      24.74920 -21.58818      29.08201 22.75000       47.12846 16.29264 7.570573 26.88986 11.08231 -10.59723      13.42130 
1 1 1 -17 2  39 o 22.65179 7.972740 25.04099       21.94539 -12.37452      29.89849 68.74326       32.31287 17.61701 7.994606 34.95777 9.286848 -17.34076      12.25395 
1 1 1 -17 2  40 f 36.02828 6.793678 69.51863       23.07985 58.68793       31.68826 81.75553       33.68262 32.14438 9.447395 37.98478 9.165258 -5.840397      13.16265 
1 1 1 -17 2  41 o 13.87488 6.574283 -24.48811      23.85575 19.48000       36.02172 -58.83710      31.83849 23.73309 9.725026 13.75280 6.763919 9.980296       11.84596 
1 1 1 -17 2  42 o 21.24044 8.694654 14.61043       28.75579 -25.49000      56.22399 28.81586       33.46371 22.45498 10.46506 24.86640 9.636573 -2.411423      14.22607 
1 1 1 -17 2  43 o 14.52704 6.973229 -34.50724      28.71511 14.71000       53.80803 -54.10523      33.95426 25.73450 11.25319 14.64659 7.157988 11.08791       13.33683 
1 1 1 -17 2  44 o 25.77446 8.346062 37.17265       24.03531 30.11296       32.87877 45.27561       35.22445 24.81421 9.569255 28.20465 10.08360 -3.390450      13.90143 
1 1 1 -17 2  45 o 42.65660 7.011694 99.69765       28.25993 94.32927       36.26321 108.0000       45.09677 39.80089 9.450048 41.39952 10.95871 -1.598625      14.47055 
1 1 1 -17 2  46 o 18.94059 7.886733 9.900843       24.21017 -5.310632      34.68575 24.35205       33.80785 19.27602 8.692214 23.59465 9.512103 -4.318630      12.88544 
1 1 1 -17 2  47 o 23.81499 8.473760 30.91368       24.84608 2.306363       35.56962 58.17235       34.72107 20.36973 9.018726 30.66733 10.03831 -10.29761      13.49463 
1 1 1 -17 2  48 o 15.59445 7.119077 -9.217814      24.15700 26.73018       34.69686 -43.03603      33.65334 23.88725 9.634129 15.13087 7.333254 8.756378       12.10756 
1 1 1 -17 2  49 o 28.45883 8.309430 48.27356       24.58376 65.55605       36.43525 33.83032       33.30818 31.84897 10.27271 24.90894 9.624682 6.940025       14.07704 
1 1 1 -17 2  50 o 13.75909 6.514487 -20.79197      23.33918 -18.70167      34.48562 -22.55853      31.70287 17.38316 8.132402 16.23973 7.659877 1.143429       11.17183 
1 1 1 -17 2  51 o 45.14070 6.069098 110.9075       26.13747 106.6139       37.78609 114.8468       36.19328 41.33759 9.533208 43.70828 8.765078 -2.370693      12.95024 
1 1 1 -17 2  52 o 39.43307 8.289183 92.51678       30.97731 86.66937       37.73550 104.6000       54.24503 36.38880 10.19118 37.25232 12.55803 -0.8635178     16.17295 
1 1 1 -17 2  53 f 23.34623 9.687715 24.86738       36.35040 24.86738       36.35040 0.000000       0.000000 23.34623 9.687715 ?        ?        ?              ?        
1 1 1 -17 2  54 o 44.10696 7.266232 111.2654       30.27914 108.2000       52.76914 112.7701       36.97120 37.82986 12.37480 42.68200 9.125837 -4.852135      15.37584 
1 1 1 -17 2  55 o 24.53419 9.040827 35.25927       28.60591 9.637000       49.23426 48.31680       35.14707 22.94479 10.35040 27.52206 10.04097 -4.577272      14.42054 
1 1 1 -17 2  56 o 18.02608 8.324853 -9.599473      34.36789 0.000000       0.000000 -9.599473      34.36789 ?        ?        18.02608 8.324853 ?              ?        
1 1 1 -17 2  57 o 16.07280 7.260247 -3.435024      24.31988 8.511193       35.14908 -14.40654      33.68465 20.21228 8.956309 17.20873 8.046435 3.003555       12.03996 
1 1 1 -17 2  58 o 20.03298 8.406593 16.52004       27.82814 10.36119       34.98473 27.13000       45.91827 20.24776 8.955485 23.72258 10.38392 -3.474815      13.71228 
1 1 1 -17 3  1  o 148.2957 3.394309 1077.717       49.27040 1065.301       69.84716 1090.014       69.51180 147.2587 4.852382 148.9678 4.773322 -1.709106      6.806630 
1 1 1 -17 3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 3  3  o 71.33135 3.899165 250.1988       27.12087 219.2000       36.41732 288.8000       40.63832 66.56603 5.642296 76.49326 5.463555 -9.927223      7.854040 
1 1 1 -17 3  4  o 212.7164 4.367539 2219.426       90.93773 2215.291       128.8147 2223.534       128.3971 212.1891 6.208736 212.5897 6.176858 -0.4005280     8.757967 
1 1 1 -17 3  5  o 103.1163 3.003534 521.3854       30.28329 519.1222       43.31004 523.5504       42.35984 102.7879 4.314267 103.2366 4.200706 -0.4487228     6.021531 
1 1 1 -17 3  6  o 230.8505 4.664742 2614.956       105.4058 2661.638       150.9795 2570.567       147.2242 232.4998 6.641013 228.4950 6.589467 4.004791       9.355433 
1 1 1 -17 3  7  o 213.1351 4.384007 2228.416       91.46027 2272.180       131.1118 2186.936       127.6465 214.8726 6.240437 210.8089 6.192764 4.063660       8.791665 
1 1 1 -17 3  8  o 151.0155 4.052932 1119.216       59.85553 1124.374       73.42537 1109.000       103.3425 151.2594 4.966000 149.9051 7.062839 1.354248       8.633936 
1 1 1 -17 3  9  o 83.54044 3.617824 342.7690       29.51343 356.0776       35.79270 314.5000       52.16539 85.08810 4.311588 79.65102 6.754539 5.437088       8.013338 
1 1 1 -17 3  10 o 68.56477 3.797768 231.2125       25.38842 247.4875       30.32853 193.1000       46.41145 70.88773 4.392511 62.09252 7.808509 8.795204       8.959184 
1 1 1 -17 3  11 o 64.27362 3.944729 203.3581       24.69784 238.9801       29.69404 123.4000       44.48786 69.65321 4.377475 49.09292 9.602108 20.56028       10.55286 
1 1 1 -17 3  12 o 104.4986 3.659827 536.0671       37.37716 548.0964       45.29686 510.4000       66.16606 105.5960 4.392011 101.5956 6.690802 4.000389       8.003536 
1 1 1 -17 3  13 o 132.1287 3.344386 856.3047       43.21859 831.4277       60.28360 882.6125       61.99289 130.0482 4.743698 133.9977 4.733921 -3.949570      6.701692 
1 1 1 -17 3  14 o 22.74372 8.041401 22.25025       22.34439 -16.40000      44.92582 34.95351       25.75594 22.64639 10.07507 26.90644 8.633125 -4.260052      13.26793 
1 1 1 -17 3  15 o 232.2992 5.505077 2652.896       125.1749 2363.000       204.0926 2827.701       158.4831 218.0488 9.585836 239.4630 6.768218 -21.41420      11.73444 
1 1 1 -17 3  16 o 59.03243 5.604599 172.9036       31.99684 0.000000       0.000000 172.9036       31.99684 ?        ?        59.03243 5.604599 ?              ?        
1 1 1 -17 3  17 o 79.47385 4.880154 311.4795       37.78024 0.000000       0.000000 311.4795       37.78024 ?        ?        79.47385 4.880154 ?              ?        
1 1 1 -17 3  18 o 80.31654 4.886486 318.1800       38.23384 0.000000       0.000000 318.1800       38.23384 ?        ?        80.31654 4.886486 ?              ?        
1 1 1 -17 3  19 o 144.4252 3.582695 1023.241       50.64762 946.5165       69.27601 1111.340       74.23383 138.6445 5.113507 150.2568 5.054523 -11.61234      7.190004 
1 1 1 -17 3  20 o 56.96946 4.295311 160.3049       23.77564 122.5639       29.27714 233.4000       40.74423 49.48497 6.178595 68.53892 6.138190 -19.05394      8.709329 
1 1 1 -17 3  21 o 12.92421 6.017849 -17.07097      18.52533 -24.35468      23.13738 -4.062000      30.92142 14.05397 6.602406 19.84877 8.606794 -5.794792      10.84752 
1 1 1 -17 3  22 o 25.61142 8.805822 29.91068       26.69104 -41.58000      48.06271 61.79000       32.09505 20.90232 9.719283 34.59695 9.284690 -13.69463      13.44135 
1 1 1 -17 3  23 o 124.6751 4.472558 765.5648       54.49262 770.6000       76.21938 760.3000       77.93776 124.7091 6.264031 123.8244 6.452626 0.8846512      8.993023 
1 1 1 -17 3  24 o 140.1311 3.930632 966.0044       53.86094 967.8672       66.33447 962.4000       92.27300 140.0800 4.845192 139.1630 6.794529 0.9170532      8.345149 
1 1 1 -17 3  25 o 164.2396 4.268674 1328.764       68.56600 1335.981       84.65459 1315.000       116.9073 164.4085 5.267213 162.3495 7.375992 2.058945       9.063597 
1 1 1 -17 3  26 o 130.9257 3.328087 842.8016       42.61609 806.4625       58.83148 882.9209       61.81570 127.7744 4.711987 133.6970 4.731034 -5.922562      6.677238 
1 1 1 -17 3  27 o 145.6062 3.520270 1042.887       50.17208 1028.594       70.57380 1057.493       71.34049 144.1478 5.009447 146.1663 4.993681 -2.018509      7.073288 
1 1 1 -17 3  28 o 135.5139 3.896040 905.8516       51.62530 908.8000       86.71217 904.2326       64.25404 134.7582 6.593852 135.0971 4.866967 -0.3389130     8.195501 
1 1 1 -17 3  29 o 81.27029 3.890932 326.5398       30.86231 344.4994       37.15890 286.6000       55.41358 83.32249 4.573653 75.03069 7.652208 8.291794       8.914852 
1 1 1 -17 3  30 o 39.88139 5.001478 80.15209       19.09606 63.86723       25.70685 100.2020       28.52415 34.87944 7.732655 44.18209 6.814558 -9.302650      10.30690 
1 1 1 -17 3  31 o 12.47443 5.767046 -13.00773      16.55672 -4.644266      22.02038 -23.88505      25.11266 16.27922 7.156328 14.76581 6.918202 1.513409       9.953620 
1 1 1 -17 3  32 o 92.76939 3.329888 425.1850       30.18808 411.9014       41.77240 439.7068       43.67596 90.88035 4.711930 93.88437 4.768342 -3.004021      6.703684 
1 1 1 -17 3  33 o 52.07048 4.240385 135.4473       21.42547 150.1095       29.72288 119.5879       30.91249 54.41967 5.662649 48.15269 6.743133 6.266979       8.805421 
1 1 1 -17 3  34 o 60.73995 4.098928 183.9906       24.22703 189.6057       33.44102 177.7879       35.14700 61.16157 5.649748 59.01210 6.176087 2.149464       8.370406 
1 1 1 -17 3  35 o 33.89726 6.566115 60.26717       20.99901 72.67964       28.34546 45.16847       31.26254 36.78898 8.091941 29.30840 9.520693 7.480587       12.49492 
1 1 1 -17 3  36 o 18.34244 7.386858 9.247656       20.36492 -3.632949      27.10164 25.95340       30.86457 18.11745 7.952609 24.67671 9.330804 -6.559263      12.26001 
1 1 1 -17 3  37 o 17.86385 7.711369 0.1844479      24.60010 -11.96679      28.62396 34.52000       48.11621 17.36692 7.857621 28.95903 11.45620 -11.59211      13.89196 
1 1 1 -17 3  38 o 24.10131 8.005834 29.69852       22.05639 39.58681       31.29479 19.93854       31.09109 27.67175 9.534241 23.31486 9.213514 4.356895       13.25860 
1 1 1 -17 3  39 o 25.37743 8.019946 34.27576       22.29595 12.16348       31.51603 56.43079       31.54646 21.81245 9.033139 31.73304 9.451942 -9.920586      13.07428 
1 1 1 -17 3  40 o 16.82401 7.406374 -2.884705      23.66385 8.930000       35.81731 -12.03666      31.52379 22.14935 9.427179 18.06296 8.201735 4.086390       12.49561 
1 1 1 -17 3  41 o 74.41445 4.065864 279.0690       29.50279 285.0970       41.80276 273.0867       41.64420 74.12340 5.807952 72.45531 5.923548 1.668083       8.295826 
1 1 1 -17 3  42 o 14.73555 6.823419 -15.27348      23.31689 -52.08389      33.30672 20.10639       32.65311 14.63624 7.139088 23.06402 9.330338 -8.427780      11.74827 
1 1 1 -17 3  43 o 28.55102 9.263870 46.84730       29.60351 66.26000       56.50641 39.50351       34.75481 32.92666 12.58376 27.04981 9.965689 5.876850       16.05198 
1 1 1 -17 3  44 o 24.74252 9.139909 31.82113       29.26693 -1.562000      55.72816 44.53499       34.39141 24.16095 10.94450 27.98355 9.968154 -3.822601      14.80359 
1 1 1 -17 3  45 o 18.08253 7.702375 5.455299       23.94314 14.14476       34.19538 -2.902120      33.53568 22.03589 9.287177 19.38972 8.660300 2.646177       12.69852 
1 1 1 -17 3  46 o 31.25363 8.735780 57.72815       27.75622 62.59773       35.65681 50.24000       44.21646 31.82671 10.15220 29.20782 11.13906 2.618891       15.07136 
1 1 1 -17 3  47 o 21.75350 8.599997 20.97281       27.09838 -4.746467      34.49466 62.43000       43.79479 19.20838 8.664383 31.26632 11.23578 -12.05794      14.18853 
1 1 1 -17 3  48 o 17.98867 7.697666 5.822068       24.11092 0.8834460      34.96075 10.30158       33.29611 19.92701 8.875098 20.90153 8.996581 -0.9745197     12.63748 
1 1 1 -17 3  49 o 17.07416 7.458629 1.942118       23.58593 12.29122       35.16323 -6.522357      31.80076 21.43108 9.235149 18.11064 8.229011 3.320436       12.36950 
1 1 1 -17 3  50 o 20.71547 8.095474 20.03114       23.77260 -18.50651      35.23894 52.21789       32.20467 17.59752 8.228797 28.85609 9.675751 -11.25857      12.70170 
1 1 1 -17 3  51 o 63.18134 4.792640 208.4898       29.41834 230.6896       41.98266 187.0737       41.23503 64.56690 6.742080 57.30755 7.533280 7.259354       10.10970 
1 1 1 -17 3  52 o 44.84785 9.173531 123.5110       38.91112 123.5110       38.91112 0.000000       0.000000 44.84785 9.173531 ?        ?        ?              ?        
1 1 1 -17 3  53 o 24.24265 8.969490 33.58456       28.20539 47.93000       49.67429 26.75891       34.26468 27.91552 11.42740 23.41014 9.525663 4.505384       14.87695 
1 1 1 -17 3  54 o 32.56369 8.948272 66.32507       29.39777 70.17000       51.40194 64.45610       35.83740 31.14640 11.97700 31.13557 10.19881 0.1082611E-01  15.73099 
1 1 1 -17 3  55 o 16.83822 7.490276 -0.6035120     24.82416 -35.90352      35.68151 32.50993       34.55875 15.99843 7.703542 24.34223 9.683494 -8.343801      12.37395 
1 1 1 -17 3  56 o 28.72090 8.504584 51.38815       25.59958 27.42717       37.06620 73.24080       35.39793 23.47393 9.765203 32.94532 10.05657 -9.471386      14.01763 
1 1 1 -17 3  57 o 23.47266 9.693070 29.57709       36.14859 3.112000       50.54754 57.28000       51.71614 21.94152 10.11985 28.22809 11.61897 -6.286575      15.40817 
1 1 1 -17 3  58 o 46.61793 7.017383 126.4468       31.02899 96.08288       38.61271 181.8000       52.13415 36.93739 10.29587 50.93674 10.79241 -13.99935      14.91580 
1 1 1 -17 4  1  o 109.4485 2.980192 587.3091       31.89745 573.9453       45.44320 600.2878       44.78363 108.0903 4.303730 110.5614 4.145524 -2.471085      5.975571 
1 1 1 -17 4  2  o 164.8638 3.632789 1332.284       58.62349 1331.745       83.45350 1332.810       82.36941 164.6180 5.185649 164.6928 5.115781 -0.7487488E-01 7.284379 
1 1 1 -17 4  3  o 122.0709 3.115811 730.5972       37.19925 725.2155       53.12710 735.7735       52.10321 121.5045 4.474659 122.3987 4.355865 -0.8942108     6.244689 
1 1 1 -17 4  4  o 226.1354 4.584706 2508.971       101.4814 2498.887       143.5248 2519.052       143.5078 225.3023 6.514954 226.2158 6.487768 -0.9134369     9.194333 
1 1 1 -17 4  5  o 70.46013 3.058365 243.7049       21.04279 237.7900       30.04761 249.3979       29.47855 69.48122 4.441361 71.18221 4.250212 -1.700981      6.147357 
1 1 1 -17 4  6  o 20.15483 7.006920 17.88054       16.91859 21.76587       19.98393 8.049000       31.78904 22.08648 7.618488 22.22858 9.125199 -0.1421032     11.88741 
1 1 1 -17 4  7  o 186.3442 4.608078 1703.919       84.05080 1740.467       104.2398 1636.000       142.1032 188.1213 5.667412 181.9413 7.998876 6.180008       9.803142 
1 1 1 -17 4  8  o 202.9584 4.899641 2022.139       97.33688 2035.056       119.7609 1997.000       167.0737 203.3600 6.023128 200.9024 8.515360 2.457626       10.43022 
1 1 1 -17 4  9  o 197.3681 4.813604 1912.169       92.99369 1943.559       115.0466 1853.000       157.9504 198.7429 5.920527 193.5352 8.357558 5.207626       10.24214 
1 1 1 -17 4  10 o 134.5831 3.905303 888.9852       51.39157 874.1119       62.22475 920.9000       91.15003 133.3574 4.774647 136.5835 6.839694 -3.226044      8.341383 
1 1 1 -17 4  11 o 212.0993 5.083090 2209.367       105.5294 2154.627       127.2396 2330.000       188.8865 209.1833 6.221165 216.8534 8.917764 -7.670090      10.87333 
1 1 1 -17 4  12 o 98.91304 3.120251 479.9543       30.17212 456.6277       41.76781 505.4107       43.63291 96.35921 4.440289 101.3896 4.407102 -5.030373      6.256094 
1 1 1 -17 4  13 o 91.14460 3.161379 407.6386       28.16149 416.4175       39.77516 398.8143       39.87777 92.00739 4.429562 90.02538 4.540084 1.982010       6.342978 
1 1 1 -17 4  14 o 107.9915 3.222003 572.1357       34.02012 550.9213       47.42288 594.6292       48.83148 105.8364 4.588593 109.9670 4.546415 -4.130524      6.459496 
1 1 1 -17 4  15 o 73.20594 4.948379 264.4435       35.24975 0.000000       0.000000 264.4435       35.24975 ?        ?        73.20594 4.948379 ?              ?        
1 1 1 -17 4  16 o 152.1489 5.141944 1138.988       76.46770 0.000000       0.000000 1138.988       76.46770 ?        ?        152.1489 5.141944 ?              ?        
1 1 1 -17 4  17 o 71.00048 5.132674 249.0805       35.42987 0.000000       0.000000 249.0805       35.42987 ?        ?        71.00048 5.132674 ?              ?        
1 1 1 -17 4  18 o 174.3654 5.527967 1497.550       94.22863 0.000000       0.000000 1497.550       94.22863 ?        ?        174.3654 5.527967 ?              ?        
1 1 1 -17 4  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 4  20 o 84.62589 4.213625 352.6074       34.79342 369.2000       65.83295 346.1764       40.98520 85.96631 7.912339 83.74258 5.023140 2.223732       9.372142 
1 1 1 -17 4  21 o 91.65580 3.256942 412.6099       29.17328 406.4387       40.92398 418.9864       41.59879 90.80351 4.619537 92.19736 4.624286 -1.393845      6.536370 
1 1 1 -17 4  22 o 178.6876 3.952542 1568.438       69.13168 1541.855       96.95760 1595.928       98.59691 176.7497 5.611352 179.8261 5.608356 -3.076385      7.933533 
1 1 1 -17 4  23 o 118.3763 3.787380 689.0793       43.82791 671.1363       54.11158 723.3000       74.72878 116.6647 4.748461 120.7740 6.343566 -4.109299      7.923933 
1 1 1 -17 4  24 o 132.2204 3.820121 859.9721       49.38853 864.8557       60.91167 850.6000       84.38263 132.4218 4.706803 130.8371 6.610365 1.584747       8.114858 
1 1 1 -17 4  25 o 58.10732 3.936430 166.8411       22.25710 167.7917       27.40678 165.0000       38.14310 58.12871 4.861304 57.21016 6.954059 0.9185524      8.484763 
1 1 1 -17 4  26 o 129.7216 3.811682 828.7130       48.34639 806.1348       58.78578 875.9000       84.98431 127.7318 4.709898 132.5670 6.569800 -4.835266      8.083651 
1 1 1 -17 4  27 o 145.3208 3.500099 1038.884       49.78682 955.0532       67.28732 1140.302       74.01025 138.8907 4.957366 151.7685 4.988782 -12.87781      7.033024 
1 1 1 -17 4  28 o 89.92040 3.191157 398.1467       28.04294 403.6117       39.09202 392.3528       40.25077 90.28156 4.437265 88.96229 4.638363 1.319267       6.419014 
1 1 1 -17 4  29 o 28.71183 6.744044 42.93159       18.62882 40.57000       26.75504 45.15381       25.95351 28.19760 8.767422 29.45191 8.519973 -1.254318      12.22529 
1 1 1 -17 4  30 o 35.92688 6.508762 66.61095       22.04632 82.59348       25.45601 18.65000       44.09725 40.04179 6.733596 26.55696 10.80624 13.48482       12.73248 
1 1 1 -17 4  31 o 80.84738 3.438483 323.0043       27.14853 313.7997       36.91283 333.8501       40.06867 79.33072 4.775793 81.75265 5.031601 -2.421928      6.937233 
1 1 1 -17 4  32 o 49.54992 4.326686 122.7371       20.77451 106.5219       27.82240 143.1693       31.23140 45.54893 6.418076 53.01960 6.130774 -7.470661      8.875702 
1 1 1 -17 4  33 f 15.27833 6.595793 -0.9677474     18.00016 13.72476       24.40176 -18.50550      26.66001 20.66877 8.164102 15.95052 7.354083 4.718252       10.98795 
1 1 1 -17 4  34 o 42.72770 5.088253 92.57996       20.86304 58.94730       28.33730 132.3889       30.82961 33.02526 8.660890 50.76683 6.342108 -17.74157      10.73468 
1 1 1 -17 4  35 o 53.42302 4.435981 143.2070       22.98753 123.9073       31.08140 166.5110       34.15396 48.90486 6.666324 56.99005 6.223640 -8.085194      9.119954 
1 1 1 -17 4  36 o 63.67022 4.805128 204.0548       29.72558 192.7572       34.65648 235.5000       57.81877 61.47337 5.829239 66.17083 9.173209 -4.697464      10.86866 
1 1 1 -17 4  37 o 44.89380 5.297101 102.9240       22.82953 98.47599       32.09973 107.4768       32.47520 42.84111 7.947357 44.93281 7.658194 -2.091705      11.03668 
1 1 1 -17 4  38 o 26.18630 7.794532 36.68245       21.45872 40.00720       30.27983 33.32795       30.41505 27.66132 9.382249 26.06940 9.364051 1.591928       13.25564 
1 1 1 -17 4  39 o 40.72942 6.579754 87.59411       25.33768 87.91000       40.15128 87.38506       32.66269 38.99030 10.34939 39.70836 8.648979 -0.7180595     13.48757 
1 1 1 -17 4  40 o 42.15391 6.027605 93.15114       24.16357 53.48495       33.38931 136.7701       35.01342 30.72628 9.826566 50.51980 7.291286 -19.79352      12.23619 
1 1 1 -17 4  41 o 22.30640 8.148789 24.05603       23.15970 -1.398932      32.30477 50.97366       33.21993 19.56572 8.631852 29.86184 9.821348 -10.29611      13.07546 
1 1 1 -17 4  42 o 19.96063 7.969938 14.40506       23.49585 -3.864394      32.85617 33.52591       33.61304 19.29412 8.597849 25.81445 9.742658 -6.520327      12.99394 
1 1 1 -17 4  43 o 52.50592 5.276281 143.2260       26.74985 101.3707       37.64573 185.9109       38.01700 41.48839 9.478209 58.88294 6.715955 -17.39455      11.61639 
1 1 1 -17 4  44 o 15.00914 7.141854 -28.93678      28.74490 -70.63000      57.57178 -15.09173      33.17601 19.39549 9.443905 17.83769 8.216795 1.557802       12.51811 
1 1 1 -17 4  45 o 15.49382 7.293372 -23.04896      28.48271 -25.57000      54.43492 -22.09852      33.42323 21.69765 10.17225 17.10623 8.003922 4.591419       12.94363 
1 1 1 -17 4  46 o 22.64713 8.356986 26.19199       24.45645 20.73821       34.65813 31.60100       34.51560 23.07536 9.506273 25.03272 9.762719 -1.957361      13.62644 
1 1 1 -17 4  47 o 16.47944 7.531120 -10.14641      27.12822 -53.00575      34.90462 55.24000       43.11258 14.81929 7.245615 29.88578 11.08341 -15.06649      13.24164 
1 1 1 -17 4  48 o 46.69133 6.762753 120.2286       30.00880 101.6650       39.11097 146.8000       46.79220 40.25346 9.976967 48.46313 10.18799 -8.209671      14.25956 
1 1 1 -17 4  49 o 27.04667 8.371319 43.48449       24.42353 29.62785       36.91573 54.27142       32.57101 24.46270 9.911783 29.43718 9.726930 -4.974483      13.88728 
1 1 1 -17 4  50 o 45.77132 6.163555 114.2632       26.91292 126.5327       39.40150 103.5326       36.84792 45.58689 9.148473 40.86357 9.407209 4.723324       13.12212 
1 1 1 -17 4  51 o 22.33124 9.449851 18.67628       35.63831 18.67628       35.63831 0.000000       0.000000 22.33124 9.449851 ?        ?        ?              ?        
1 1 1 -17 4  52 o 16.68048 7.422844 -1.293366      24.40218 1.047627       35.89376 -3.305187      33.27466 19.85760 8.907669 18.73303 8.474196 1.124573       12.29466 
1 1 1 -17 4  53 o 27.17467 9.166374 45.58413       28.90091 89.53000       52.56748 26.54633       34.59923 34.57040 12.32290 23.40338 9.553562 11.16702       15.59244 
1 1 1 -17 4  54 o 48.10179 5.935400 126.1390       27.35375 122.3935       39.36646 129.6356       38.03593 44.19383 9.390284 46.22318 8.726551 -2.029346      12.81913 
1 1 1 -17 4  55 f 19.10881 8.019208 11.86359       25.32462 49.74586       37.61087 -19.55645      34.25301 27.76029 10.34120 17.06439 8.021891 10.69590       13.08783 
1 1 1 -17 4  56 o 14.58327 6.837579 -15.97499      24.60550 -29.42738      36.25297 -4.485222      33.50422 16.55362 7.916363 18.38479 8.389503 -1.831171      11.53484 
1 1 1 -17 4  57 o 18.46290 8.118211 5.859175       28.35325 -15.48000      51.82367 14.97536       33.87240 20.53492 9.718101 20.86228 9.027276 -0.3273582     13.26398 
1 1 1 -17 5  1  o 117.7047 4.275652 680.4266       49.17905 0.000000       0.000000 680.4266       49.17905 ?        ?        117.7047 4.275652 ?              ?        
1 1 1 -17 5  2  o 137.5376 3.280822 926.9989       44.16824 901.6454       62.26641 952.6756       62.66212 135.4707 4.702854 139.2670 4.603072 -3.796310      6.580662 
1 1 1 -17 5  3  o 154.3481 3.496423 1167.664       52.82402 1156.999       75.08148 1178.119       74.33302 153.4423 5.005682 154.8496 4.910376 -1.407379      7.012035 
1 1 1 -17 5  4  o 190.0105 4.018605 1770.443       74.74106 1785.344       106.8862 1756.185       104.5521 190.5298 5.737828 188.9787 5.658523 1.551071       8.058633 
1 1 1 -17 5  5  o 80.82488 3.673481 320.9050       28.98627 379.9000       58.54177 301.7442       33.36302 87.58440 6.883908 78.30744 4.370008 9.276962       8.153843 
1 1 1 -17 5  6  f 205.6852 4.946353 2076.873       99.58511 2091.407       122.8352 2049.000       170.1053 206.1522 6.094045 203.5074 8.558585 2.644791       10.50651 
1 1 1 -17 5  7  o 194.8084 4.758783 1862.699       90.74230 1922.132       113.4198 1757.000       151.2563 197.6579 5.868804 188.4896 8.217979 9.168365       10.09842 
1 1 1 -17 5  8  o 183.5517 4.574415 1653.352       82.18642 1659.694       101.1059 1641.000       141.1075 183.6908 5.629835 182.2045 7.930966 1.486298       9.726010 
1 1 1 -17 5  9  o 109.4936 3.646704 588.4293       39.02917 585.0270       47.72401 595.3000       67.81921 109.0972 4.478593 109.8181 6.336075 -0.7209396     7.759101 
1 1 1 -17 5  10 o 78.56345 3.604018 303.2383       27.64109 309.6674       33.41327 289.3000       49.19784 79.32814 4.319437 76.37360 6.647224 2.954544       7.927365 
1 1 1 -17 5  11 o 44.14966 4.168004 96.46954       17.79880 99.67279       23.73184 92.35117       26.90910 44.69645 5.543128 42.81556 6.635378 1.880886       8.646069 
1 1 1 -17 5  12 o 118.5915 3.236420 689.8381       37.53345 650.4703       51.90952 732.9692       54.33407 115.0206 4.620085 122.1155 4.553616 -7.094986      6.486956 
1 1 1 -17 5  13 o 49.31088 3.940374 120.0277       18.86082 125.5641       25.14619 112.9074       28.51718 50.29081 5.182428 47.48911 6.289359 2.801701       8.149453 
1 1 1 -17 5  14 o 119.3086 3.672982 698.7142       42.84295 710.4000       70.25920 691.7969       54.05589 120.0110 6.000060 118.6088 4.665171 1.402153       7.600299 
1 1 1 -17 5  15 f 201.5906 4.880522 1996.293       96.30367 2027.000       165.8494 1980.672       118.2889 202.2362 8.396424 200.5157 6.033700 1.720490       10.33951 
1 1 1 -17 5  16 o 194.5948 5.913729 1865.538       112.5109 0.000000       0.000000 1865.538       112.5109 ?        ?        194.5948 5.913729 ?              ?        
1 1 1 -17 5  17 o 108.7020 4.624374 581.4711       49.09118 0.000000       0.000000 581.4711       49.09118 ?        ?        108.7020 4.624374 ?              ?        
1 1 1 -17 5  18 o 87.10526 4.885707 374.0986       41.48909 314.6000       63.54853 418.3000       54.77341 79.26194 8.314573 91.93827 6.121362 -12.67633      10.32488 
1 1 1 -17 5  19 o 51.32484 5.473622 131.1032       27.07463 132.0000       53.78260 130.7988       31.33462 50.38767 11.19541 51.10838 6.403821 -0.7207108     12.89752 
1 1 1 -17 5  20 o 210.6384 5.141008 2183.424       105.9966 1920.000       173.5590 2340.123       133.8605 196.1961 9.062023 217.6816 6.288977 -21.48552      11.03048 
1 1 1 -17 5  21 o 47.73657 4.276135 112.8698       19.76919 94.98247       26.26500 136.2480       30.02683 43.40883 6.370974 52.22062 5.982229 -8.811787      8.739358 
1 1 1 -17 5  22 o 151.0043 4.068677 1121.306       60.08319 999.7000       95.04761 1202.241       77.54111 141.9448 6.861257 156.1580 5.079720 -14.21321      8.537002 
1 1 1 -17 5  23 o 70.41206 3.250352 243.8526       22.34140 267.1618       30.80336 217.9814       32.45211 73.57658 4.295815 66.32317 5.036520 7.253403       6.619709 
1 1 1 -17 5  24 o 87.43558 3.518513 376.1739       30.05147 408.8987       37.49566 317.4000       50.24981 91.06127 4.218155 79.76519 6.492069 11.29608       7.742080 
1 1 1 -17 5  25 o 28.58924 6.447913 42.14154       17.61234 30.90981       20.87683 69.87000       32.80229 24.91733 7.744185 36.56295 9.180039 -11.64561      12.01023 
1 1 1 -17 5  26 o 59.92925 3.845114 177.4930       22.43659 181.5618       27.39307 169.2000       39.10811 60.47897 4.663316 57.84179 7.053148 2.637180       8.455378 
1 1 1 -17 5  27 o 85.57188 3.541889 360.9553       29.60277 324.8546       35.22819 447.7000       54.60773 80.99905 4.460505 94.74160 5.918091 -13.74255      7.410797 
1 1 1 -17 5  28 o 69.37386 3.331355 237.3711       22.55547 193.1448       29.95965 295.2371       34.26952 62.25358 4.957537 77.14283 4.558761 -14.88925      6.734944 
1 1 1 -17 5  29 o 83.82647 3.232044 346.4104       26.46977 341.0113       36.36951 352.4914       38.59758 82.88897 4.499517 84.22344 4.700536 -1.334473      6.506972 
1 1 1 -17 5  30 o 73.43533 3.762138 266.9012       26.95232 261.1000       40.82493 271.3831       35.88398 72.06944 5.837111 73.73926 5.001186 -1.669823      7.686594 
1 1 1 -17 5  31 f 72.82343 3.611914 262.5261       25.66595 256.6355       34.95010 269.4212       37.81295 71.62357 5.016971 73.30131 5.306063 -1.677734      7.302349 
1 1 1 -17 5  32 o 16.80077 6.913453 5.307203       18.30302 14.20780       23.31801 -8.977822      29.54082 20.51112 8.017092 18.27320 8.147099 2.237913       11.43018 
1 1 1 -17 5  33 o 78.75520 3.534075 307.2923       27.17400 301.8414       37.97025 313.0153       38.90652 77.57156 5.027831 78.98807 5.058754 -1.416512      7.132326 
1 1 1 -17 5  34 o 52.25384 4.413714 136.8851       22.36413 151.0276       30.91777 121.3648       32.38881 54.41800 5.898642 48.28896 7.061085 6.129047       9.200701 
1 1 1 -17 5  35 o 57.04795 4.916811 164.1113       27.18788 173.8825       31.87149 138.0000       52.10065 58.46872 5.638809 49.48270 11.03774 8.986023       12.39467 
1 1 1 -17 5  36 o 63.49204 4.071733 201.4030       25.17153 216.3207       34.94440 185.3147       36.28952 65.26614 5.521715 60.05989 6.264924 5.206253       8.350965 
1 1 1 -17 5  37 o 48.81796 4.829040 120.7140       22.77326 102.5095       31.72575 140.0646       32.70927 43.83716 7.673108 51.91172 6.585206 -8.074562      10.11145 
1 1 1 -17 5  38 o 15.35591 6.923376 -8.840762      21.99493 -26.98000      34.30924 3.815737       28.65882 17.39384 8.128969 19.68833 8.407795 -2.294491      11.69492 
1 1 1 -17 5  39 o 47.31835 5.205916 114.7854       23.71411 97.32881       33.34434 132.6510       33.73267 42.05825 8.393881 50.00078 7.091025 -7.942532      10.98817 
1 1 1 -17 5  40 o 34.23785 7.193469 63.75315       23.33984 51.41602       32.41429 77.03664       33.63454 30.16440 9.685590 36.65575 9.346814 -6.491346      13.46007 
1 1 1 -17 5  41 o 19.22671 7.746075 12.17887       22.40348 17.28781       31.58565 7.006265       31.78187 22.38135 9.131179 20.66320 8.839847 1.718143       12.70910 
1 1 1 -17 5  42 o 67.01918 4.315912 228.0265       28.16197 236.3088       40.01769 219.9001       39.63908 67.00380 6.170907 64.47860 6.363477 2.525200       8.864194 
1 1 1 -17 5  43 o 14.75704 6.825964 -14.42324      23.24070 5.654972       32.76966 -34.74256      32.96583 20.51418 8.877884 15.84348 7.569172 4.670706       11.66658 
1 1 1 -17 5  44 o 48.71808 5.678275 124.9564       26.57074 121.5635       37.95963 128.2158       37.20514 45.95669 8.758186 47.58835 8.288239 -1.631660      12.05822 
1 1 1 -17 5  45 o 16.64794 7.646296 -12.84117      28.43714 -51.69000      56.56910 0.2959251      32.89576 20.23224 9.731347 19.63171 8.683456 0.6005363      13.04230 
1 1 1 -17 5  46 o 35.80857 8.707158 75.58863       30.21976 74.87000       56.58668 75.87537       35.74371 33.40909 12.63383 35.01258 9.957953 -1.603489      16.08647 
1 1 1 -17 5  47 o 15.42831 7.056126 -10.03691      23.87373 27.68590       34.40892 -45.05256      33.15128 24.14338 9.643234 14.87559 7.225557 9.267799       12.04992 
1 1 1 -17 5  48 o 26.60920 8.865630 41.93954       27.04391 27.76545       35.42118 61.75000       41.87577 24.07280 9.725185 30.81088 10.99683 -6.738081      14.68024 
1 1 1 -17 5  49 o 35.95149 9.172780 79.70638       32.38005 84.02000       48.66656 76.28000       43.37373 34.45780 11.88882 33.45128 11.22908 1.006523       16.35348 
1 1 1 -17 5  50 o 42.31968 9.477740 111.1035       38.28239 111.1035       38.28239 0.000000       0.000000 42.31968 9.477740 ?        ?        ?              ?        
1 1 1 -17 5  51 o 25.63458 8.960506 39.17501       27.68841 28.85000       52.09233 43.24065       32.68834 25.67229 11.15130 26.64937 9.689285 -0.9770813     14.77274 
1 1 1 -17 5  52 o 25.47121 8.914900 38.71622       27.41266 37.12000       48.25999 39.47656       33.30763 26.32787 11.06080 25.79951 9.706725 0.5283680      14.71604 
1 1 1 -17 5  53 o 19.24332 7.938860 13.34918       24.21698 14.01062       35.75976 12.78885       32.91303 21.55557 9.301141 20.87140 8.963606 0.6841736      12.91733 
1 1 1 -17 5  54 o 25.65564 8.463696 39.75130       24.66365 31.26884       35.88096 47.34882       33.95777 24.23198 9.788598 27.32495 9.884032 -3.092976      13.91081 
1 1 1 -17 5  55 o 18.25182 7.793244 8.238781       24.61620 -11.65872      36.23164 25.29803       33.54815 18.32329 8.492041 22.88368 9.382001 -4.560396      12.65451 
1 1 1 -17 5  56 o 35.31126 7.757510 74.54998       26.07857 63.02401       38.10460 84.70549       35.76758 30.11832 10.51278 35.59241 9.904958 -5.474091      14.44392 
1 1 1 -17 5  57 f 37.52441 7.453956 83.66792       26.41294 77.91843       38.40860 88.82636       36.38092 32.97004 10.53880 36.04430 9.973978 -3.074261      14.51023 
1 1 1 -17 6  1  o 228.2886 4.617624 2557.319       103.1832 2635.976       149.5701 2485.891       142.5304 231.3618 6.611387 224.6992 6.487160 6.662552       9.262487 
1 1 1 -17 6  2  o 152.2010 3.470612 1135.423       51.70469 1132.926       73.93614 1137.814       72.33317 151.8330 4.981644 152.1754 4.862332 -0.3423615     6.961253 
1 1 1 -17 6  3  o 163.9615 3.634840 1317.874       58.33558 1315.715       83.24075 1319.957       81.77666 163.6043 5.204606 163.8817 5.104138 -0.2774200     7.289729 
1 1 1 -17 6  4  o 155.2369 4.081635 1182.698       61.96672 1175.360       76.22384 1197.000       106.4129 154.6413 5.042435 155.7566 6.997645 -1.115372      8.625149 
1 1 1 -17 6  5  o 59.54455 3.804699 174.5492       22.05924 177.6874       27.34378 168.7000       37.33092 59.98872 4.694103 58.17120 6.677147 1.817524       8.162040 
1 1 1 -17 6  6  o 111.2087 3.627141 606.9422       39.43013 576.2007       47.85935 671.9000       69.56973 108.2684 4.526034 116.7320 6.109968 -8.463577      7.603729 
1 1 1 -17 6  7  o 132.9576 3.833938 867.5452       49.84374 869.1373       61.50887 864.5000       85.06551 132.9845 4.732859 132.3714 6.585963 0.6131287      8.110170 
1 1 1 -17 6  8  o 42.26172 4.689170 88.73472       19.07158 85.42612       22.58390 96.96000       35.60835 41.29880 5.741775 43.54558 8.659078 -2.246784      10.38978 
1 1 1 -17 6  9  o 185.3978 4.606844 1687.059       83.60157 1650.756       101.4243 1764.000       147.6566 183.1720 5.663683 188.8685 8.005220 -5.696503      9.806165 
1 1 1 -17 6  10 o 194.3358 4.130015 1852.692       78.56164 1749.877       108.3954 1966.463       114.0241 188.5487 5.880472 199.8963 5.833785 -11.34764      8.283296 
1 1 1 -17 6  11 o 256.9340 5.123053 3242.842       128.8417 3093.253       177.1535 3410.816       187.7252 250.3764 7.236125 262.9052 7.301933 -12.52884      10.28007 
1 1 1 -17 6  12 o 142.8168 3.483818 999.9927       48.70135 970.4207       68.65332 1029.948       69.09704 140.4708 5.001068 144.7363 4.884256 -4.265442      6.990468 
1 1 1 -17 6  13 o 164.0882 4.234416 1322.116       67.95384 1367.000       116.8910 1299.203       83.51646 166.3380 7.196347 162.5134 5.257127 3.824554       8.912059 
1 1 1 -17 6  14 o 132.7692 3.801252 865.3481       49.34953 832.2000       80.13239 885.6018       62.63715 129.8487 6.323716 134.1983 4.776081 -4.349670      7.924666 
1 1 1 -17 6  15 f 107.5507 3.598378 567.9194       37.82808 588.5000       61.13715 555.1527       48.15214 109.2201 5.738826 106.2206 4.642488 2.999489       7.381519 
1 1 1 -17 6  16 o 26.96031 6.398583 37.25096       16.63070 50.64552       21.74922 18.39274       25.80655 31.41215 7.224397 22.59961 8.535044 8.812546       11.18208 
1 1 1 -17 6  17 f 207.0400 6.228416 2114.327       126.0794 1902.000       170.4277 2371.000       187.3820 195.5523 8.927261 218.4328 8.781935 -22.88048      12.52271 
1 1 1 -17 6  18 o 62.78479 4.760535 194.8312       29.03806 160.7000       56.50516 207.0798       33.84984 55.82102 10.73125 64.65190 5.398180 -8.830879      12.01249 
1 1 1 -17 6  19 o 88.54855 4.097575 385.8453       35.41895 292.1000       64.08279 427.0794       42.50054 76.19766 8.750616 93.09534 4.679019 -16.89768      9.923029 
1 1 1 -17 6  20 o 72.85413 4.233120 261.6428       30.05706 208.1000       59.34925 280.1131       34.85794 63.85595 9.808453 75.32211 4.752175 -11.46617      10.89903 
1 1 1 -17 6  21 o 145.6111 4.992945 1044.939       71.05824 0.000000       0.000000 1044.939       71.05824 ?        ?        145.6111 4.992945 ?              ?        
1 1 1 -17 6  22 o 97.41261 3.130899 466.0602       29.81439 439.8010       40.66628 496.5783       43.84023 94.45918 4.410468 100.3738 4.473409 -5.914642      6.282007 
1 1 1 -17 6  23 o 102.2417 3.775439 514.3745       37.71858 631.8000       73.11951 471.7980       44.02879 112.7197 6.656797 97.78052 4.613224 14.93916       8.099060 
1 1 1 -17 6  24 o 150.8256 5.208107 1124.335       76.77312 1132.000       109.7896 1117.000       107.3971 150.5648 7.472929 149.6076 7.356416 0.9572601      10.48625 
1 1 1 -17 6  25 o 143.7746 3.971283 1018.139       55.83456 999.2389       67.79152 1058.000       98.44939 142.2033 4.877562 145.6299 6.926323 -3.426605      8.471396 
1 1 1 -17 6  26 o 37.93543 5.075402 72.39151       18.37368 76.52114       21.75592 62.12000       34.31143 38.84472 5.907793 34.47618 9.739889 4.368538       11.39155 
1 1 1 -17 6  27 o 137.4700 4.692712 935.3376       63.05231 915.0000       86.06449 958.9000       92.63664 135.2657 6.519445 138.3209 6.863528 -3.055191      9.466318 
1 1 1 -17 6  28 o 117.4085 3.713808 680.1089       42.62639 638.8790       51.00523 775.6000       77.62291 113.5460 4.598710 124.4272 6.394809 -10.88116      7.876657 
1 1 1 -17 6  29 o 62.65638 3.499098 194.0811       21.37465 163.2768       28.33493 234.7574       32.56025 57.11017 5.123144 68.62251 4.879295 -11.51234      7.074894 
1 1 1 -17 6  30 o 78.73325 3.340643 306.0950       25.68658 305.3346       35.16946 306.9645       37.60540 78.32384 4.607743 78.44132 4.922596 -0.1174774     6.742643 
1 1 1 -17 6  31 o 110.6460 3.336461 604.5423       36.09370 600.4141       50.21012 608.9565       51.92128 109.7956 4.682724 110.5222 4.810953 -0.7266159     6.713655 
1 1 1 -17 6  32 o 12.96601 6.023686 -15.37063      18.39832 -17.82000      24.96391 -12.45841      27.22064 15.40564 7.107677 16.96919 7.671585 -1.563552      10.45812 
1 1 1 -17 6  33 o 56.54686 4.728595 160.4931       25.93319 168.1017       30.23206 139.3000       50.45598 57.65998 5.420137 50.25527 10.59163 7.404705       11.89792 
1 1 1 -17 6  34 o 53.83845 4.989442 146.2522       25.99453 160.8050       30.20547 104.7000       51.03988 56.27833 5.555640 42.82080 11.80001 13.45753       13.04245 
1 1 1 -17 6  35 o 74.30882 3.652423 274.4106       26.48470 259.7955       35.57618 292.5800       39.66688 71.78300 5.096416 76.08160 5.360823 -4.298592      7.396748 
1 1 1 -17 6  36 o 19.47408 7.382832 15.01094       19.35246 5.701437       25.80710 26.97221       29.25261 19.27474 8.092445 24.55463 9.125239 -5.279894      12.19662 
1 1 1 -17 6  37 o 48.00172 5.273631 117.5622       24.37076 116.8000       37.56064 118.1164       32.02773 46.37701 8.590443 47.34990 7.131477 -0.9728889     11.16484 
1 1 1 -17 6  38 o 52.24834 4.648833 138.1764       23.52712 163.3587       33.81332 114.5435       32.75659 56.12785 6.261145 46.33048 7.477679 9.797371       9.752826 
1 1 1 -17 6  39 o 40.37478 5.953708 85.20563       22.82372 122.7605       32.94458 50.54517       31.64959 47.94428 7.245915 30.09639 9.560694 17.84789       11.99626 
1 1 1 -17 6  40 o 44.76836 5.544990 104.0807       23.77942 112.6396       33.48225 95.36985       33.77807 45.39635 7.817089 41.22365 8.647540 4.172699       11.65705 
1 1 1 -17 6  41 o 21.57757 7.977152 21.99303       22.30186 -7.212121      31.23380 52.37056       31.85454 18.42175 8.282722 30.11974 9.594315 -11.69799      12.67495 
1 1 1 -17 6  42 f 22.99541 8.212286 26.99993       23.35721 15.74762       33.14949 38.09422       32.91591 22.31098 9.254145 26.65483 9.718198 -4.343853      13.41948 
1 1 1 -17 6  43 o 55.05589 5.024361 156.6598       26.77832 204.9058       38.82440 112.8813       36.98319 61.97302 6.496685 44.27965 8.842595 17.69337       10.97262 
1 1 1 -17 6  44 o 28.86783 8.241715 47.89587       24.43856 33.02777       34.46381 62.93346       34.65970 25.50941 9.807670 32.22623 9.972114 -6.716825      13.98690 
1 1 1 -17 6  45 o 55.73962 5.009992 161.2343       27.04293 157.3433       38.21531 165.1371       38.27372 53.23505 7.545026 54.72907 7.328606 -1.494015      10.51836 
1 1 1 -17 6  46 o 17.84550 7.961386 -2.864312      28.25541 -2.036000      54.97563 -3.161665      32.93891 23.58144 10.75541 19.05665 8.541943 4.524797       13.73476 
1 1 1 -17 6  47 o 43.09365 7.575955 104.9223       30.79042 -36.04000      57.39419 161.8860       36.48510 21.14765 10.07093 54.15341 7.050318 -33.00576      12.29352 
1 1 1 -17 6  48 o 16.73651 7.351095 0.5758454      23.19017 18.28838       34.13752 -14.60218      31.60089 22.21669 9.316173 17.11881 7.932776 5.097876       12.23601 
1 1 1 -17 6  49 o 25.03043 9.796195 34.28534       34.85273 34.28534       34.85273 0.000000       0.000000 25.03043 9.796195 ?        ?        ?              ?        
1 1 1 -17 6  50 o 36.52985 9.394347 83.31111       33.77852 96.06000       55.71143 75.90000       42.47660 35.78578 12.69326 33.37461 11.11069 2.411171       16.86909 
1 1 1 -17 6  51 o 41.50793 7.214833 98.04991       28.24978 128.0000       52.59892 85.90843       33.48988 42.15843 12.10876 37.10727 9.252579 5.051159       15.23917 
1 1 1 -17 6  52 f 67.76878 4.368667 237.6311       28.82471 255.8913       42.91077 222.6166       38.91074 68.16151 6.510646 63.75404 6.318300 4.407463       9.072454 
1 1 1 -17 6  53 o 16.25952 7.289931 -3.093618      24.00661 -15.25811      36.05086 6.598280       32.17904 18.01332 8.389970 19.78696 8.676101 -1.773638      12.06923 
1 1 1 -17 6  54 o 22.72650 8.370694 28.82269       24.51746 6.069679       36.63254 47.28420       32.99751 20.50312 9.111046 27.30959 9.760096 -6.806467      13.35180 
1 1 1 -17 6  55 o 17.89049 7.692284 6.872909       24.29184 37.46512       36.58640 -17.24594      32.48572 25.25794 9.990472 16.78721 7.866325 8.470730       12.71568 
1 1 1 -17 6  56 o 18.82803 7.888717 12.28160       24.44692 3.013665       36.59336 19.75237       32.85440 19.86253 8.944895 21.60568 9.104415 -1.743158      12.76329 
1 1 1 -17 6  57 o 26.11282 8.517557 43.20683       25.00820 61.79206       37.42931 28.21941       33.61177 29.46494 10.40859 22.89351 9.389004 6.571430       14.01756 
1 1 1 -17 7  1  o 84.89892 3.404693 353.8508       28.23609 500.0000       62.19132 315.9019       31.69063 100.6192 6.346889 80.15504 4.052332 20.46420       7.530232 
1 1 1 -17 7  2  o 121.9132 4.342978 730.0878       51.74283 0.000000       0.000000 730.0878       51.74283 ?        ?        121.9132 4.342978 ?              ?        
1 1 1 -17 7  3  o 117.2506 4.489185 675.5596       51.42636 806.0000       83.06898 594.5000       65.48396 127.7945 6.663824 109.7819 6.118140 18.01263       9.046447 
1 1 1 -17 7  4  o 175.6160 4.421379 1514.177       75.94210 1471.349       92.12337 1605.000       134.1550 172.9710 5.447938 180.2573 7.620591 -7.286301      9.367681 
1 1 1 -17 7  5  o 56.82510 3.805405 159.0412       21.04441 133.1574       25.71737 211.5000       36.61184 51.82004 5.137745 65.34311 5.783881 -13.52307      7.736259 
1 1 1 -17 7  6  f 52.41524 3.970484 135.5082       20.21925 127.9025       24.61123 151.3000       35.46347 50.79207 5.015695 55.03521 6.722530 -4.243137      8.387467 
1 1 1 -17 7  7  o 188.2710 4.666388 1739.857       85.99444 1697.922       104.4671 1828.000       151.4543 185.7595 5.752359 192.2591 8.065928 -6.499588      9.907009 
1 1 1 -17 7  8  o 185.7618 3.993087 1692.518       72.60579 1603.229       100.2103 1791.186       105.3420 180.5071 5.678748 190.8103 5.646396 -10.30325      8.008120 
1 1 1 -17 7  9  o 59.01278 3.420204 171.2867       19.67159 190.7995       27.37090 150.4392       28.29159 62.18628 4.527660 55.08168 5.313262 7.104599       6.980720 
1 1 1 -17 7  10 o 143.0691 3.442229 1003.455       48.20496 959.5162       67.38728 1049.501       68.98502 139.6917 4.936103 146.1171 4.829974 -6.425400      6.906067 
1 1 1 -17 7  11 o 238.2868 4.825451 2788.312       112.5497 2666.396       155.5853 2922.147       163.0129 232.5251 6.843296 243.4290 6.848179 -10.90392      9.681335 
1 1 1 -17 7  12 o 88.03650 3.446393 380.5634       29.64108 359.6000       45.41074 396.1255       39.12557 85.35683 5.463872 89.72294 4.469101 -4.366104      7.058807 
1 1 1 -17 7  13 o 93.78909 3.504772 431.9184       32.11838 468.8000       51.36381 408.2377       41.15761 97.50542 5.402858 91.06445 4.632594 6.440964       7.117008 
1 1 1 -17 7  14 o 211.2014 5.039075 2191.919       104.1727 2124.000       174.5981 2229.462       129.8091 206.9226 8.639369 212.6837 6.242159 -5.761108      10.65848 
1 1 1 -17 7  15 o 185.4434 5.586790 1693.356       101.2941 1752.000       144.6984 1637.000       141.8472 188.0695 7.877743 181.7494 7.992913 6.320145       11.22254 
1 1 1 -17 7  16 o 180.9663 5.802825 1613.960       102.6554 1559.000       143.2379 1672.000       147.1963 177.2184 8.280283 183.5622 8.213129 -6.343826      11.66270 
1 1 1 -17 7  17 o 170.8294 4.380321 1434.208       73.18403 1471.000       124.9121 1414.978       90.30664 172.3425 7.422071 169.4861 5.450603 2.856400       9.208486 
1 1 1 -17 7  18 o 111.9034 4.702202 616.5583       51.39037 0.000000       0.000000 616.5583       51.39037 ?        ?        111.9034 4.702202 ?              ?        
1 1 1 -17 7  19 o 180.8877 5.606185 1613.520       99.14211 0.000000       0.000000 1613.520       99.14211 ?        ?        180.8877 5.606185 ?              ?        
1 1 1 -17 7  20 o 151.9660 4.195669 1135.593       62.35024 977.6000       103.4352 1225.768       78.14335 140.2318 7.563549 157.7203 5.068302 -17.48848      9.104667 
1 1 1 -17 7  21 o 105.4477 3.819424 546.8505       39.35712 518.7000       70.60014 559.5432       47.40677 102.0778 7.110364 106.5574 4.555689 -4.479607      8.444618 
1 1 1 -17 7  22 o 56.98852 4.618755 160.8934       25.54368 282.1000       51.71529 121.7811       29.37736 75.08465 7.121722 49.24524 6.234031 25.83941       9.464781 
1 1 1 -17 7  23 o 67.08749 4.151788 222.2595       27.13000 233.9000       51.39482 217.7629       31.94310 68.07046 7.857610 66.27565 4.959961 1.794807       9.292107 
1 1 1 -17 7  24 o 142.3309 3.447276 995.4459       48.02657 944.8406       65.79899 1053.146       70.25993 138.3074 4.867939 146.0135 4.923003 -7.706009      6.923350 
1 1 1 -17 7  25 o 147.7201 3.514536 1072.982       50.81757 1014.897       69.63995 1139.139       74.32210 143.2467 4.974245 151.7599 5.010145 -8.513214      7.060075 
1 1 1 -17 7  26 o 117.1750 3.242280 675.5016       37.15129 606.3348       49.30596 766.3467       56.50686 110.7222 4.559198 124.4747 4.645971 -13.75254      6.509327 
1 1 1 -17 7  27 o 139.9004 4.977836 970.5750       68.05705 1038.000       102.2256 916.9000       91.20833 143.6204 7.295620 135.1506 6.917633 8.469788       10.05384 
1 1 1 -17 7  28 o 15.73634 6.469487 4.298448       16.00854 3.352927       18.43324 7.200000       32.29099 16.48845 6.874979 21.83800 9.101960 -5.349546      11.40662 
1 1 1 -17 7  29 o 109.4683 3.670984 591.8558       39.27915 555.1980       46.84129 678.7000       72.09672 105.7663 4.535086 116.1999 6.363036 -10.43356      7.813785 
1 1 1 -17 7  30 o 63.07958 3.513483 196.9462       21.60794 186.0749       28.55714 211.5064       33.04913 61.00454 4.821584 64.94251 5.243609 -3.937973      7.123420 
1 1 1 -17 7  31 o 49.04899 4.204810 120.1475       19.99293 100.0255       26.05136 148.9803       31.18450 44.18408 6.193486 54.14573 5.983647 -9.961651      8.611812 
1 1 1 -17 7  32 o 62.42913 3.787477 193.6413       23.03539 198.6474       30.98096 187.4519       34.44810 62.86465 5.077980 60.79030 5.861894 2.074356       7.755494 
1 1 1 -17 7  33 o 43.37397 6.346909 97.10111       26.14877 126.8000       31.63463 33.04000       46.46115 49.54090 6.694873 28.83326 11.30286 20.70764       13.13682 
1 1 1 -17 7  34 o 51.12190 5.247486 132.4801       25.88582 147.1298       30.42876 94.11000       49.24557 53.66999 5.888841 40.62579 11.73119 13.04420       13.12628 
1 1 1 -17 7  35 o 53.11920 4.342349 141.5729       22.38099 136.6121       30.06112 147.7425       33.52432 51.57848 6.070398 53.46861 6.541614 -1.890121      8.924262 
1 1 1 -17 7  36 o 61.38691 4.403680 189.1933       26.28469 218.8000       40.48481 167.6195       34.55890 65.14841 6.432510 57.01291 6.297534 8.135498       9.002006 
1 1 1 -17 7  37 o 49.13495 4.740307 122.2443       22.51564 128.3763       31.24128 115.6170       32.47860 49.61983 6.595504 46.71480 7.345082 2.905025       9.871722 
1 1 1 -17 7  38 o 59.32695 4.251098 177.1211       24.52286 178.3935       34.31098 175.7924       35.06236 58.73034 6.055184 58.19470 6.253325 0.5356369      8.704558 
1 1 1 -17 7  39 o 21.40158 7.779210 21.47006       21.06885 11.20707       29.40837 32.29235       30.19907 21.00454 8.714648 25.50426 9.306993 -4.499723      12.75011 
1 1 1 -17 7  40 o 44.52949 5.446237 102.9526       23.24485 57.71477       32.28064 151.6715       33.49961 31.62150 9.593720 53.54741 6.526024 -21.92591      11.60295 
1 1 1 -17 7  41 o 45.26681 5.628294 107.1908       24.40102 105.7280       34.11086 108.7239       34.91987 43.38863 8.334598 43.95530 8.422742 -0.5666695     11.84939 
1 1 1 -17 7  42 o 17.67572 7.549165 4.095680       23.10888 26.64025       32.96458 -17.68920      32.40442 24.23090 9.514096 17.40113 8.052906 6.829773       12.46464 
1 1 1 -17 7  43 o 35.97164 7.354753 71.93028       25.02142 88.67159       35.73256 55.82372       35.04862 38.61108 9.516600 30.58304 10.08945 8.028046       13.86948 
1 1 1 -17 7  44 o 69.04024 4.427539 243.4838       29.76293 239.5937       42.47805 247.2353       41.71462 66.83996 6.577786 68.12223 6.328310 -1.282272      9.127692 
1 1 1 -17 7  45 o 16.49063 7.303302 -2.183323      23.34133 30.46011       32.92571 -35.16166      33.09418 24.63235 9.555240 15.71546 7.528431 8.916897       12.16470 
1 1 1 -17 7  46 o 18.41246 7.758955 8.026596       23.86205 32.32798       34.77785 -13.59053      32.80093 25.07528 9.793849 17.71430 8.163655 7.360985       12.75009 
1 1 1 -17 7  47 o 15.84933 7.376634 -16.47746      27.78757 -8.111000      55.03849 -19.33963      32.19164 22.81926 10.53722 16.84572 7.873232 5.973539       13.15373 
1 1 1 -17 7  48 o 54.10093 8.106543 169.3655       41.60818 219.8000       61.42426 126.6000       56.56174 57.91718 11.24043 41.50005 12.72077 16.41714       16.97543 
1 1 1 -17 7  49 o 17.84498 7.844230 2.091818       26.45412 52.94000       53.25998 -14.56137      30.47979 28.98890 11.84571 16.73266 7.766582 12.25625       14.16477 
1 1 1 -17 7  50 o 19.22044 8.462054 3.832491       30.89656 -23.65000      50.58094 20.19000       39.02271 20.44999 9.654736 23.12224 9.840572 -2.672253      13.78589 
1 1 1 -17 7  51 o 37.27871 7.912663 81.67890       27.97869 92.46166       37.58683 68.28000       41.89918 37.81763 10.00198 31.64002 11.02511 6.177607       14.88599 
1 1 1 -17 7  52 o 30.42714 8.070408 55.50254       24.42675 62.91058       36.41091 49.44000       32.93874 30.85569 10.28720 27.97328 9.773536 2.882412       14.18973 
1 1 1 -17 7  53 o 50.39698 5.539439 136.3661       26.87604 144.0876       40.08758 130.0618       36.22255 48.90823 8.692276 46.91783 8.184934 1.990402       11.93938 
1 1 1 -17 7  54 o 19.61561 7.994848 15.62140       24.18432 31.59492       36.40710 3.006389       32.35411 24.29494 9.843463 19.21703 8.549649 5.077911       13.03803 
1 1 1 -17 7  55 o 22.24780 8.353819 27.32203       24.64342 23.06717       36.61489 30.84553       33.31981 22.76529 9.603193 23.74752 9.487961 -0.9822388     13.49973 
1 1 1 -17 7  56 o 28.79191 8.362518 51.85840       24.95739 60.14787       37.26403 45.11551       33.60852 29.41458 10.38605 26.38530 9.785688 3.029278       14.26989 
1 1 1 -17 7  57 o 31.08107 8.197907 60.38054       25.29460 102.8500       38.19033 27.18991       33.76160 38.89434 9.982050 22.73307 9.375628 16.16127       13.69466 
1 1 1 -17 8  1  o 189.8662 4.018310 1768.078       74.67879 1863.268       109.9262 1686.493       101.7685 194.6036 5.777301 185.1602 5.621636 9.443405       8.061017 
1 1 1 -17 8  2  o 111.1184 3.548063 605.9189       38.54129 592.7653       47.99592 629.8000       64.67059 109.8168 4.474452 113.0309 5.865320 -3.214066      7.377174 
1 1 1 -17 8  3  o 57.95035 3.720750 165.3355       20.99384 167.8850       27.08714 161.5000       33.22326 58.28507 4.790112 56.99030 6.047954 1.294765       7.715110 
1 1 1 -17 8  4  o 108.9715 3.522496 582.7438       37.52311 565.9036       46.49463 614.2000       63.54526 107.2979 4.436527 111.6196 5.836438 -4.321693      7.331220 
1 1 1 -17 8  5  o 59.09301 3.781066 171.9302       21.75565 150.9977       26.88973 211.6000       37.01745 55.22447 5.029624 65.34464 5.849291 -10.12017      7.714359 
1 1 1 -17 8  6  o 128.4440 4.428795 810.5522       55.59753 830.4000       78.72188 790.8000       78.53202 129.7689 6.215601 126.6076 6.357300 3.161316       8.890947 
1 1 1 -17 8  7  o 62.52211 3.311414 192.1390       20.19305 196.5181       28.71190 187.8531       28.40514 63.09900 4.682081 61.67764 4.741398 1.421356       6.663538 
1 1 1 -17 8  8  o 89.39822 3.080677 392.1294       26.91732 379.3326       37.94089 405.0975       38.19406 87.80602 4.428755 90.75836 4.311681 -2.952347      6.180975 
1 1 1 -17 8  9  f 134.0688 3.341425 881.1070       43.84962 844.4633       61.65553 918.6124       62.37620 131.0509 4.814648 136.7094 4.668227 -5.658463      6.706204 
1 1 1 -17 8  10 o 139.3468 3.842325 953.0957       52.35793 1002.000       89.84003 927.9424       64.43082 142.5071 6.457391 137.3817 4.798726 5.125381       8.045226 
1 1 1 -17 8  11 f 96.85187 3.426118 460.4613       32.42887 426.6000       50.29366 484.5574       42.42622 92.98537 5.551032 99.26496 4.377250 -6.279594      7.069249 
1 1 1 -17 8  12 o 178.7233 4.462167 1568.103       78.06082 1715.000       139.6781 1501.385       94.13304 186.1929 7.680554 174.6530 5.513204 11.53986       9.454434 
1 1 1 -17 8  13 o 202.2252 4.877157 2009.074       96.54019 2016.000       164.9623 2005.466       119.0575 201.6622 8.375295 201.7519 6.035615 -0.8963013E-01 10.32348 
1 1 1 -17 8  14 o 40.50100 4.923053 81.77779       19.11633 61.80454       22.65213 131.2000       35.63246 34.80032 6.893831 51.03941 7.343472 -16.23909      10.07231 
1 1 1 -17 8  15 o 113.3934 3.894234 631.7102       43.15895 545.4000       77.56563 670.4151       51.94228 104.7628 7.616089 116.7388 4.554426 -11.97596      8.873985 
1 1 1 -17 8  16 o 70.80377 3.351724 246.4039       23.16307 255.3582       31.09188 235.2358       34.72318 71.96851 4.435200 68.96786 5.181477 3.000648       6.820462 
1 1 1 -17 8  17 o 22.34273 6.516002 25.08834       15.12491 33.10340       18.68465 9.853652       25.76016 25.53403 7.178380 20.66373 8.312744 4.870293       10.98321 
1 1 1 -17 8  18 o 11.64042 5.342858 -10.14093      13.85332 -4.595073      17.33714 -19.93580      23.04052 14.44917 6.350933 14.56813 6.758695 -0.1189651     9.274389 
1 1 1 -17 8  19 o 114.4567 3.819032 643.9282       42.72599 517.6000       72.85705 710.1463       52.74842 101.9763 7.348319 120.1066 4.494726 -18.13027      8.613962 
1 1 1 -17 8  20 o 68.14639 4.212670 229.1054       27.96264 187.2000       52.91991 245.3375       32.93604 60.59000 9.212830 70.44629 4.805238 -9.856293      10.39070 
1 1 1 -17 8  21 o 39.44944 6.183993 78.72027       23.09483 92.90000       45.13977 73.69240       26.87926 42.13623 10.87219 37.88353 7.514125 4.252701       13.21615 
1 1 1 -17 8  22 o 151.0088 4.190259 1122.586       61.87702 965.7000       102.7829 1211.766       77.49316 139.1184 7.576569 156.6901 5.059239 -17.57175      9.110450 
1 1 1 -17 8  23 o 32.73963 7.018167 55.27224       21.81500 100.1000       42.41961 39.15376       25.43637 43.67281 10.12126 27.88997 8.527115 15.78283       13.23449 
1 1 1 -17 8  24 o 97.56207 4.735921 470.6766       45.09126 419.3000       63.66169 522.4000       63.87618 91.45371 7.168914 102.3704 6.406800 -10.91670      9.614594 
1 1 1 -17 8  25 o 190.6003 5.949328 1805.324       110.8576 1695.000       152.7792 1928.000       161.1046 183.2096 8.542938 195.4916 8.439129 -12.28203      12.00836 
1 1 1 -17 8  26 o 130.9984 3.331432 844.6856       42.68259 800.0329       58.54541 895.3459       62.35957 127.1221 4.713224 134.4809 4.744795 -7.358727      6.687867 
1 1 1 -17 8  27 f 129.6999 3.399560 828.7306       43.12151 852.9278       60.78156 804.2098       61.18650 131.1768 4.741588 127.3089 4.919362 3.867897       6.832479 
1 1 1 -17 8  28 o 53.04095 4.863008 140.6705       24.96704 140.6705       24.96704 0.000000       0.000000 53.04095 4.863008 ?        ?        ?              ?        
1 1 1 -17 8  29 o 55.15342 4.100992 151.2579       21.98105 115.5256       25.58068 252.1000       42.97370 47.81535 5.569766 70.63837 6.280624 -22.82302      8.394553 
1 1 1 -17 8  30 o 23.00736 7.110941 26.90910       17.63012 17.79189       20.25377 55.42000       35.81627 20.65069 7.607766 32.40443 10.15448 -11.75374      12.68825 
1 1 1 -17 8  31 o 71.48272 3.441843 252.9495       24.01155 235.4036       32.02695 275.4715       36.28525 68.58286 4.801154 74.13800 5.029932 -5.555138      6.953509 
1 1 1 -17 8  32 f 28.55149 7.174053 43.17816       20.02190 46.06141       22.42360 31.84000       44.46675 29.41831 7.699202 28.38232 11.07760 1.035995       13.49040 
1 1 1 -17 8  33 o 95.63126 3.406504 452.8561       31.83616 465.0267       44.13714 439.6568       45.96471 96.41065 4.691142 93.58242 5.036479 2.828232       6.882800 
1 1 1 -17 8  34 o 54.59865 4.464421 149.6524       23.65092 170.9000       34.45975 130.7302       32.51942 57.73113 6.194901 50.17632 6.795744 7.554806       9.195593 
1 1 1 -17 8  35 o 49.19781 5.821666 124.0658       27.49235 123.7000       33.65114 124.8000       47.67478 48.51537 7.313261 47.10378 10.59733 1.411594       12.87584 
1 1 1 -17 8  36 o 18.69889 7.333977 11.95401       19.56981 -6.327516      26.18865 35.07106       29.44918 17.32083 7.699851 26.42553 9.240742 -9.104700      12.02826 
1 1 1 -17 8  37 o 47.68661 4.832194 115.4533       22.24421 129.2198       30.27625 99.30592       32.79004 49.85836 6.347514 42.82640 8.119164 7.031963       10.30591 
1 1 1 -17 8  38 o 46.17497 5.096797 109.1438       22.65330 101.7042       31.41320 117.2048       32.69866 43.39814 7.675694 46.81107 7.380542 -3.412926      10.64841 
1 1 1 -17 8  39 o 18.88710 7.558936 11.65595       21.18514 15.83778       29.54047 7.227641       30.39857 21.85114 8.861839 20.51144 8.705719 1.339701       12.42263 
1 1 1 -17 8  40 f 42.13332 5.822223 93.23759       23.37050 64.82174       32.67142 123.0131       33.44389 33.33380 9.533441 47.56437 7.425925 -14.23057      12.08432 
1 1 1 -17 8  41 f 17.34155 7.400544 3.669150       22.17636 -60.46346      30.93867 71.43707       31.80345 13.29449 6.563116 35.01499 9.171721 -21.72050      11.27807 
1 1 1 -17 8  42 o 22.75451 8.155288 26.48801       23.05553 -4.932930      32.20734 59.51194       33.01868 18.87113 8.453599 31.63004 9.723645 -12.75891      12.88459 
1 1 1 -17 8  43 o 62.74067 4.500424 201.3768       27.45455 230.9877       39.53988 173.8103       38.15057 65.98161 6.194634 56.53934 7.046053 9.442276       9.381917 
1 1 1 -17 8  44 o 17.21945 7.454958 2.181006       23.12523 0.9446595      33.14924 3.353093       32.27626 19.78850 8.736449 19.91957 8.712867 -0.1310711     12.33854 
1 1 1 -17 8  45 o 38.03762 6.906691 79.94382       24.76835 116.3711       35.58611 45.71643       34.49484 44.94278 8.398084 27.92674 9.979260 17.01604       13.04276 
1 1 1 -17 8  46 o 36.55140 7.145082 74.86171       24.64672 67.23301       35.48826 81.96975       34.25584 32.74001 10.08358 36.60970 9.483942 -3.869690      13.84282 
1 1 1 -17 8  47 o 27.09810 9.262036 43.77134       29.51708 27.94982       35.38450 79.97000       53.52235 24.13928 9.731481 33.71727 12.37641 -9.577982      15.74411 
1 1 1 -17 8  48 o 28.27597 8.899881 48.61495       27.48285 66.75000       55.08413 42.60450       31.71178 31.18983 12.28280 26.66741 9.563682 4.522415       15.56699 
1 1 1 -17 8  49 o 27.16199 9.543003 45.20409       31.43112 0.000000       0.000000 45.20409       31.43112 ?        ?        27.16199 9.543003 ?              ?        
1 1 1 -17 8  50 o 23.22994 8.286042 30.30654       23.77152 70.15865       37.37086 3.223035       30.80774 32.56569 10.39394 19.07344 8.421436 13.49225       13.37739 
1 1 1 -17 8  51 o 45.11905 6.669463 113.4530       28.56841 113.4160       38.19668 113.5000       43.03906 42.65647 9.401899 41.38312 10.58420 1.273350       14.15701 
1 1 1 -17 8  52 o 25.74345 8.829159 39.92039       26.82791 48.18085       35.79285 29.33000       40.52754 27.61568 10.12362 24.47846 10.19927 3.137218       14.37055 
1 1 1 -17 8  53 f 18.57463 7.784855 10.73342       23.81820 43.86172       35.79664 -15.58516      31.90611 26.62114 10.05258 16.88192 7.872992 9.739225       12.76865 
1 1 1 -17 8  54 o 33.21579 7.919036 65.96407       25.38221 69.39762       38.04590 63.21008       34.07346 31.90506 10.51139 30.94342 9.929858 0.9616394      14.46000 
1 1 1 -17 8  55 o 28.04876 8.427344 48.85365       24.99523 27.73463       37.36433 65.95959       33.62743 23.53549 9.798706 31.42422 9.838142 -7.888735      13.88538 
1 1 1 -17 8  56 o 17.97028 7.694570 8.492963       24.11884 -29.62222      36.21179 38.88369       32.33490 16.41101 7.865204 24.99607 9.527342 -8.585052      12.35442 
1 1 1 -17 8  57 o 22.67761 9.017778 29.04417       29.95912 23.55474       36.83625 39.77000       51.49055 22.38224 9.544413 25.61219 11.10618 -3.229950      14.64388 
1 1 1 -17 9  1  o 240.9394 6.892447 2862.024       162.3832 3303.000       253.9474 2557.000       211.2043 257.7975 10.08317 226.9664 9.528007 30.83118       13.87275 
1 1 1 -17 9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 9  3  o 94.48100 3.503975 438.2253       32.34883 410.2449       40.34467 488.6000       54.13337 91.31435 4.527909 99.54819 5.577837 -8.233849      7.184304 
1 1 1 -17 9  4  o 76.64537 3.491458 288.5905       26.12504 289.2364       33.58055 287.6000       41.58133 76.63676 4.496314 76.28735 5.607704 0.3494186      7.187711 
1 1 1 -17 9  5  o 143.2677 3.980004 1007.569       55.75926 988.7548       68.99345 1043.000       94.67847 141.8025 4.978427 145.3777 6.671239 -3.575211      8.324072 
1 1 1 -17 9  6  o 200.6394 4.223742 1975.197       82.95065 1906.979       116.1239 2046.274       118.5330 196.7936 6.035567 203.8788 5.946007 -7.085144      8.472488 
1 1 1 -17 9  7  o 16.99974 6.575410 9.084509       15.55804 -28.09000      21.91652 46.84740       22.08928 13.11003 6.237610 30.22596 7.501578 -17.11593      9.756099 
1 1 1 -17 9  8  f 210.6712 4.381457 2178.242       90.35040 2112.404       126.6437 2246.485       128.9367 207.0691 6.255473 213.5633 6.174473 -6.494202      8.789486 
1 1 1 -17 9  9  o 69.68821 3.469748 238.6935       23.59366 227.3000       35.72798 247.5044       31.41880 67.78659 5.430038 70.85966 4.553965 -3.073067      7.086883 
1 1 1 -17 9  10 o 94.10356 3.415030 434.7366       31.40407 438.1000       50.79221 432.6551       39.95664 94.23360 5.530939 93.78632 4.364514 0.4472733      7.045585 
1 1 1 -17 9  11 o 155.1010 4.076491 1181.229       61.83445 1193.000       104.9144 1174.964       76.54144 155.3959 6.914776 154.5506 5.066489 0.8453217      8.572248 
1 1 1 -17 9  12 o 14.87959 6.203814 2.155235       15.00866 23.84638       18.49700 -39.64989      25.67880 22.41240 7.326233 13.51615 6.515048 8.896245       9.804057 
1 1 1 -17 9  13 o 15.60556 6.509766 2.348481       16.53769 -7.829592      19.64008 27.15000       30.65840 14.91364 6.646514 25.78420 9.382296 -10.87056      11.49798 
1 1 1 -17 9  14 o 212.4556 4.428270 2216.776       92.08916 2043.823       124.5692 2425.202       136.7487 203.5533 6.259543 221.7362 6.306985 -18.18289      8.885941 
1 1 1 -17 9  15 o 60.01640 3.497982 177.2773       20.46008 185.9566       27.64224 166.7606       30.42774 61.34661 4.637728 57.96679 5.425761 3.379822       7.137745 
1 1 1 -17 9  16 o 75.77595 3.270165 282.1161       24.19824 267.0981       32.84078 299.9549       35.79236 73.58672 4.582138 77.98151 4.711106 -4.394791      6.571949 
1 1 1 -17 9  17 o 40.54160 4.141853 81.55679       16.20552 71.56833       20.89480 96.63471       25.67198 37.67184 5.856701 43.84872 6.150165 -6.176880      8.492672 
1 1 1 -17 9  18 o 81.22787 3.082159 324.0500       24.46120 300.3727       33.12397 352.4501       36.27740 78.05956 4.352444 84.56925 4.397563 -6.509697      6.187271 
1 1 1 -17 9  19 o 35.58409 4.761980 63.39286       16.17032 69.27309       21.02106 54.87008       25.30742 37.00325 6.009757 32.60083 7.993197 4.402424       10.00042 
1 1 1 -17 9  20 o 41.21928 5.871365 85.52386       23.01998 83.57000       45.27155 86.20523       26.73416 40.07828 11.13979 41.18702 6.873390 -1.108742      13.08963 
1 1 1 -17 9  21 o 106.4849 3.825984 557.9459       39.81355 424.2000       68.40578 626.4615       48.96066 92.03893 7.662471 112.7385 4.445503 -20.69958      8.858666 
1 1 1 -17 9  22 o 133.1480 3.982791 872.7490       51.84896 798.4000       90.49987 909.0771       63.26030 126.4537 7.343154 135.7227 4.769226 -9.269073      8.755994 
1 1 1 -17 9  23 o 90.49802 3.781723 403.5045       33.42541 502.8000       66.23911 369.5820       38.71626 100.3425 6.783970 86.46484 4.590997 13.87764       8.191428 
1 1 1 -17 9  24 o 101.4124 3.772112 506.8181       37.37872 562.2000       72.04049 486.4162       43.72491 105.9577 6.985010 99.19926 4.514965 6.758461       8.317166 
1 1 1 -17 9  25 o 56.20578 3.509012 156.0380       19.20879 129.8088       25.53714 190.2155       29.15078 50.94664 5.193498 61.84011 4.854755 -10.89347      7.109224 
1 1 1 -17 9  26 f 151.0939 4.205169 1127.854       62.13182 1113.000       110.1848 1134.779       75.23363 148.5300 7.604129 151.2295 5.089657 -2.699570      9.150267 
1 1 1 -17 9  27 o 58.50291 3.412258 169.1348       19.45522 153.9017       25.47404 190.4564       30.13796 55.54415 4.730441 61.76022 5.028872 -6.216072      6.904102 
1 1 1 -17 9  28 o 77.07482 3.219999 293.0502       24.23912 257.4744       31.54077 344.3706       37.88260 71.95950 4.500469 83.21355 4.669661 -11.25406      6.485364 
1 1 1 -17 9  29 o 82.73939 3.662226 338.7075       29.58600 325.1815       35.51173 369.4000       53.49390 80.84222 4.505562 85.47160 6.441456 -4.629379      7.860817 
1 1 1 -17 9  30 o 19.55264 7.023284 16.76818       17.10969 -2.351433      19.33568 85.76000       36.72981 15.57924 6.780233 39.77876 9.553596 -24.19952      11.71507 
1 1 1 -17 9  31 o 50.42640 5.482673 128.8457       26.62666 128.8457       26.62666 0.000000       0.000000 50.42640 5.482673 ?        ?        ?              ?        
1 1 1 -17 9  32 o 42.08025 4.786252 89.45699       19.36432 75.11544       24.90295 111.3908       30.79714 37.84895 6.978939 46.26915 7.020179 -8.420197      9.898913 
1 1 1 -17 9  33 o 16.23105 6.704402 4.780684       17.29988 -19.09088      21.87729 44.62020       28.26248 13.94345 6.508134 28.98695 9.010733 -15.04350      11.11526 
1 1 1 -17 9  34 o 56.32290 4.348316 159.0582       23.78695 155.2000       33.81610 162.8369       33.46629 54.87398 6.416817 56.32695 6.170834 -1.452972      8.902513 
1 1 1 -17 9  35 o 74.32849 3.973090 275.6841       28.80110 321.4000       44.36745 242.3895       37.86326 79.46510 5.742771 68.99932 5.655772 10.46578       8.060222 
1 1 1 -17 9  36 o 78.35217 4.239045 307.4877       32.38955 339.2670       39.51331 242.4000       56.54845 81.97862 4.947233 67.02021 8.835001 14.95841       10.12583 
1 1 1 -17 9  37 o 12.11606 5.761207 -21.74121      18.63980 -23.42212      24.50084 -19.43145      28.72046 14.35959 6.760983 16.35940 7.574498 -1.999814      10.15302 
1 1 1 -17 9  38 o 57.83441 4.262580 168.7203       23.96088 170.2787       33.21756 167.0299       34.59606 57.27867 6.014338 56.53695 6.361848 0.7417221      8.754734 
1 1 1 -17 9  39 o 12.82547 6.058556 -20.15681      19.97065 -24.87997      27.07525 -14.52101      29.57562 15.03125 7.086478 17.07755 7.826622 -2.046290      10.55813 
1 1 1 -17 9  40 o 15.40057 6.852939 -4.473817      20.79631 -12.68563      28.42357 4.986424       30.50775 16.84392 7.701907 19.98897 8.607798 -3.145044      11.55048 
1 1 1 -17 9  41 o 41.59162 6.078331 91.86112       24.01477 115.6823       34.19211 68.67056       33.73650 45.59763 7.949732 34.01582 9.674268 11.58181       12.52157 
1 1 1 -17 9  42 o 67.65611 4.227511 232.5994       27.85622 253.8893       40.09323 212.7312       38.73134 69.47035 5.953449 63.26282 6.340069 6.207531       8.697128 
1 1 1 -17 9  43 o 60.28285 4.603278 186.4165       26.95691 201.0827       38.91282 172.8836       37.37907 61.19374 6.600810 56.47273 6.905630 4.721004       9.552927 
1 1 1 -17 9  44 f 17.42086 7.506034 3.248323       23.22244 15.46961       33.26749 -8.366434      32.43147 21.99766 9.208632 18.34363 8.325149 3.654022       12.41398 
1 1 1 -17 9  45 o 54.32283 4.987918 153.5352       26.22630 145.1570       37.57587 161.4934       36.62170 50.74075 7.816236 54.17861 7.074470 -3.437862      10.54237 
1 1 1 -17 9  46 o 13.62758 6.602402 -37.01570      27.21929 -33.76117      32.70554 -44.35000      49.09723 15.64651 7.492379 18.93899 9.098100 -3.292485      11.78606 
1 1 1 -17 9  47 o 27.87946 9.051923 46.98966       28.26178 83.96000       56.27054 34.51767       32.68303 34.05003 12.65576 25.04774 9.570829 9.002295       15.86723 
1 1 1 -17 9  48 o 24.27927 8.619838 33.66844       25.69712 53.17000       46.86536 25.28463       30.72826 28.94362 11.35019 22.86510 9.119477 6.078516       14.55994 
1 1 1 -17 9  49 o 37.06150 7.040662 77.82103       24.60768 64.94508       38.19069 86.96166       32.17776 31.34533 10.53694 37.77895 8.856545 -6.433622      13.76465 
1 1 1 -17 9  50 o 30.87779 8.636495 58.42761       27.11922 101.4000       53.39025 43.48523       31.48307 36.71663 12.45832 26.65901 9.532821 10.05762       15.68708 
1 1 1 -17 9  51 o 38.85421 6.802633 85.05774       24.92937 98.42682       38.41312 75.32986       32.76711 38.94596 10.01937 34.41747 9.442966 4.528492       13.76798 
1 1 1 -17 9  52 o 15.50060 7.188335 -13.10463      26.02219 -39.50835      34.59966 21.28000       39.48403 15.46567 7.481149 23.13417 9.873756 -7.668503      12.38784 
1 1 1 -17 9  53 o 28.79682 8.879559 51.91001       27.50959 50.62236       36.07175 53.70000       42.52992 27.94714 10.17582 28.44962 10.90606 -0.5024815     14.91608 
1 1 1 -17 9  54 o 17.01130 7.665243 -3.163483      26.91601 20.75264       36.03408 -33.35000      40.48317 22.43916 9.499156 17.34150 8.312477 5.097668       12.62265 
1 1 1 -17 9  55 o 25.42136 8.489833 39.77251       24.79725 72.51055       37.52346 14.39035       33.04006 32.29733 10.42566 20.81306 8.960249 11.48427       13.74701 
1 1 1 -17 9  56 o 19.32158 8.377899 10.31751       29.29650 11.74898       36.24094 7.618000       49.76820 20.73540 9.145466 22.16589 10.15642 -1.430494      13.66720 
1 1 1 -17 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 10 2  o 128.9647 4.615459 817.5168       58.16891 963.6000       94.40104 728.1000       73.85609 139.6676 6.926789 121.4752 6.232275 18.19244       9.317815 
1 1 1 -17 10 3  o 106.0881 4.404418 553.3068       45.63685 690.8000       77.73719 481.0000       56.37386 118.2293 6.745333 98.72078 5.860324 19.50853       8.935486 
1 1 1 -17 10 4  o 229.3336 6.708041 2593.042       150.4189 2552.000       212.8351 2634.000       212.6141 226.6349 9.616088 230.3115 9.451350 -3.676682      13.48322 
1 1 1 -17 10 5  o 127.9978 3.273535 803.6101       40.97973 793.2819       59.45425 812.9578       56.56205 127.0109 4.790875 128.6143 4.499863 -1.603394      6.572766 
1 1 1 -17 10 6  o 76.11102 3.156066 284.4159       23.46153 281.1314       34.54914 287.2266       31.96103 75.52306 4.696846 76.38438 4.292007 -0.8613205     6.362522 
1 1 1 -17 10 7  o 147.3646 3.938933 1066.051       56.76600 1087.000       98.02795 1055.483       69.62840 148.3719 6.767639 146.5156 4.861812 1.856247       8.332956 
1 1 1 -17 10 8  o 130.0880 3.713568 830.6434       47.23785 873.8000       81.91580 809.1420       57.81995 133.0690 6.306991 128.2902 4.611957 4.778870       7.813340 
1 1 1 -17 10 9  o 83.88583 3.432274 345.6021       28.12280 373.2000       45.70074 328.7818       35.67800 86.96075 5.395582 81.71289 4.477822 5.247856       7.011647 
1 1 1 -17 10 10 o 245.4585 5.674809 2963.947       136.3439 3031.000       238.4897 2931.391       166.1788 246.7406 9.894743 243.6902 6.973939 3.050400       12.10544 
1 1 1 -17 10 11 o 217.0838 6.297615 2323.474       133.6751 2378.000       190.8846 2271.000       187.2578 218.8097 8.931241 213.8095 8.967511 5.000198       12.65635 
1 1 1 -17 10 12 o 74.90966 4.012300 276.1756       29.31231 221.0000       58.98716 294.2681       33.77802 66.07247 9.384392 77.27911 4.484724 -11.20664      10.40094 
1 1 1 -17 10 13 f 67.14870 3.341274 221.6622       21.89221 196.3484       30.08644 250.1463       31.91493 63.01342 4.916780 71.20937 4.603456 -8.195942      6.735468 
1 1 1 -17 10 14 o 40.79000 4.342144 82.62867       17.07046 99.48488       22.40250 59.29103       26.35998 44.67398 5.221501 33.93296 8.057127 10.74102       9.601113 
1 1 1 -17 10 15 o 154.5909 4.090401 1174.204       61.84067 1284.000       108.6504 1121.591       75.21191 161.0904 6.906621 150.9210 5.098644 10.16936       8.584730 
1 1 1 -17 10 16 o 41.79998 4.643808 86.93663       18.67984 110.9248       22.80386 38.01000       32.56734 47.22446 5.009596 28.62629 9.729936 18.59817       10.94384 
1 1 1 -17 10 17 o 76.38098 3.085495 286.5887       23.02086 272.1491       31.46146 303.2294       33.77426 74.29053 4.345499 78.42215 4.417743 -4.131622      6.196759 
1 1 1 -17 10 18 o 80.67266 3.089528 319.6949       24.35125 293.8020       33.07732 350.3341       35.98143 77.18105 4.396565 84.30461 4.375317 -7.123566      6.202676 
1 1 1 -17 10 19 o 140.8119 3.432415 973.3184       47.30916 942.4532       65.84882 1006.247       68.01423 138.2674 4.873058 142.8764 4.870443 -4.609024      6.889696 
1 1 1 -17 10 20 o 64.16882 3.338705 202.6880       20.89835 203.9569       27.95497 201.0804       31.46485 64.22377 4.474888 63.67087 5.091072 0.5529022      6.778174 
1 1 1 -17 10 21 o 61.49026 4.354062 187.0480       26.03690 197.9000       51.74599 183.3692       30.12872 62.30172 8.724168 60.75588 5.113664 1.545841       10.11240 
1 1 1 -17 10 22 o 122.6043 3.870706 740.1567       46.39355 766.8000       85.83826 729.1622       55.14120 123.9162 7.106764 121.5278 4.644022 2.388405       8.489584 
1 1 1 -17 10 23 o 50.97699 4.858503 129.4458       23.94996 213.2000       50.93106 105.6673       27.13762 64.70063 8.227924 45.73151 6.223838 18.96912       10.31673 
1 1 1 -17 10 24 o 145.2143 4.124328 1040.298       58.56372 1128.000       109.3725 1005.045       69.34181 149.8754 7.479043 142.4714 4.980003 7.403976       8.985351 
1 1 1 -17 10 25 o 116.2679 3.855900 666.9973       43.82184 648.8000       80.36297 674.6981       52.27829 113.5031 7.271640 116.7435 4.583816 -3.240417      8.595819 
1 1 1 -17 10 26 o 84.84513 3.878047 355.8306       32.12153 379.2000       62.04350 347.2729       37.54504 86.49476 7.399252 83.64737 4.603326 2.847389       8.714330 
1 1 1 -17 10 27 o 80.82359 3.968076 323.4046       31.29642 277.9000       59.23006 341.0301       36.86254 73.44153 8.389716 82.85136 4.563097 -9.409828      9.550350 
1 1 1 -17 10 28 o 64.33301 3.401520 204.6227       21.34356 205.1090       28.41329 203.9930       32.33411 64.15464 4.554282 63.79998 5.223353 0.3546600      6.930000 
1 1 1 -17 10 29 o 48.27786 4.040920 116.1917       18.92063 102.6774       24.15570 137.6454       30.43509 44.97224 5.609021 52.01376 6.093287 -7.041523      8.281863 
1 1 1 -17 10 30 o 80.83042 4.552708 325.9365       35.87498 325.9365       35.87498 0.000000       0.000000 80.83042 4.552708 ?        ?        ?              ?        
1 1 1 -17 10 31 o 12.02071 5.607155 -14.54558      16.19794 -16.88234      18.25104 -5.877000      35.15234 12.66764 5.923035 20.40389 9.002831 -7.736242      10.77652 
1 1 1 -17 10 32 o 50.31399 4.627156 127.3112       22.53313 122.6866       26.71923 138.7000       41.93021 49.05756 5.668462 50.92142 8.726224 -1.863857      10.40569 
1 1 1 -17 10 33 o 57.58823 4.228744 165.9810       23.67078 171.2000       34.00293 161.0737       32.97194 57.81825 6.100047 56.06247 6.107111 1.755783       8.631765 
1 1 1 -17 10 34 o 10.66933 5.180854 -28.11636      17.00881 -26.90786      21.57263 -30.10195      27.65182 12.85629 6.136827 14.90666 7.067529 -2.050372      9.360054 
1 1 1 -17 10 35 o 59.53057 4.039889 177.3616       23.40104 199.8973       32.33695 152.5844       33.90700 62.72496 5.316913 54.23471 6.517571 8.490246       8.411201 
1 1 1 -17 10 36 o 39.76874 5.885634 82.07657       22.22000 106.2000       32.54745 61.01887       30.40906 44.50869 7.752337 33.13936 9.098664 11.36933       11.95343 
1 1 1 -17 10 37 o 80.41077 4.249381 324.9157       33.32742 358.6122       41.07636 260.0000       57.01314 84.06480 5.014757 69.17450 8.605759 14.89030       9.960264 
1 1 1 -17 10 38 o 62.40147 4.113673 196.1490       24.98628 171.3090       34.20825 224.5576       36.58306 57.27202 6.200934 65.93675 5.724896 -8.664730      8.439551 
1 1 1 -17 10 39 o 14.56868 6.563770 -7.139419      19.72911 -21.72572      25.74197 13.62614       30.71432 14.87057 6.979099 21.57193 8.924032 -6.701357      11.32900 
1 1 1 -17 10 40 o 20.56171 7.690347 19.29796       20.84149 -8.640331      27.83431 54.95060       31.44318 17.16977 7.760368 30.71756 9.496914 -13.54779      12.26437 
1 1 1 -17 10 41 o 27.95358 7.746520 44.02328       21.92792 64.92960       29.99951 20.03956       32.13170 33.33805 8.989433 22.81034 9.245444 10.52771       12.89528 
1 1 1 -17 10 42 o 38.99535 6.379906 81.97910       23.51061 85.07364       32.49732 78.58073       34.05542 38.21252 8.860878 36.28488 9.484331 1.927643       12.97951 
1 1 1 -17 10 43 o 28.64581 7.891126 46.88333       22.83007 20.95482       32.04795 73.59879       32.53065 22.79851 9.236031 35.10099 9.314959 -12.30248      13.11765 
1 1 1 -17 10 44 o 37.18955 6.769314 76.16245       23.73423 99.73806       33.55222 52.55011       33.57834 41.40735 8.561173 29.49090 9.879840 11.91646       13.07306 
1 1 1 -17 10 45 o 33.05202 8.604856 64.79595       28.10647 62.04983       33.59648 71.20000       51.30512 31.65229 9.821883 32.65198 12.09415 -0.9996910     15.58004 
1 1 1 -17 10 46 o 18.22777 7.646601 8.603931       23.01259 -21.76926      34.40326 33.19854       30.95811 17.20039 8.071167 24.74055 9.347174 -7.540165      12.34963 
1 1 1 -17 10 47 o 39.31507 7.291554 87.83647       27.02692 91.85000       47.64862 85.93269       32.81674 36.14182 11.75487 37.48808 9.047488 -1.346256      14.83354 
1 1 1 -17 10 48 o 33.30222 7.550904 64.44803       24.04457 61.52448       37.08434 66.56848       31.58270 30.65935 10.38320 32.51039 9.396801 -1.851044      14.00396 
1 1 1 -17 10 49 f 57.69743 4.795078 173.9915       26.83608 188.0190       40.90472 163.3913       35.55833 57.57333 7.431664 54.17493 6.859089 3.398399       10.11320 
1 1 1 -17 10 50 o 32.46297 7.722516 62.02804       24.18012 31.95722       36.98491 84.47652       31.95548 24.61482 9.939901 37.04293 8.920344 -12.42811      13.35568 
1 1 1 -17 10 51 o 17.77242 7.812198 2.569445       26.23748 43.39000       50.73368 -12.33434      30.65527 27.25633 11.38823 16.94737 7.839275 10.30896       13.82556 
1 1 1 -17 10 52 o 18.74669 8.070838 7.731334       26.80753 18.66000       50.84415 3.523522       31.54900 24.18596 10.74151 19.17856 8.492414 5.007395       13.69310 
1 1 1 -17 10 53 o 13.30362 6.361921 -24.30286      23.40954 -13.73289      34.95721 -32.89693      31.52097 17.80427 8.282187 15.07985 7.255949 2.724412       11.01106 
1 1 1 -17 10 54 o 40.57586 7.709764 97.03853       29.50152 131.6191       39.50717 53.45000       44.35531 45.93481 9.108581 28.17829 11.04444 17.75653       14.31593 
1 1 1 -17 10 55 o 21.68772 9.376148 17.24110       36.47663 17.24110       36.47663 0.000000       0.000000 21.68772 9.376148 ?        ?        ?              ?        
1 1 1 -17 10 56 o 25.79832 8.447614 42.12029       24.58794 61.30154       36.96494 26.89879       32.92913 29.33059 10.34535 22.54888 9.275328 6.781704       13.89453 
1 1 1 -17 11 1  o 56.92239 4.760480 160.2159       26.28139 229.5000       51.33025 135.6000       30.59597 67.71856 7.891612 52.14106 6.110645 15.57750       9.980858 
1 1 1 -17 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 11 3  o 175.6848 4.446519 1516.046       76.40320 1694.000       145.9441 1448.863       89.67306 184.9662 8.080482 171.6070 5.345035 13.35913       9.688323 
1 1 1 -17 11 4  o 118.1536 3.721460 685.3439       42.98578 652.3000       81.44321 698.1036       50.60912 114.7613 7.287906 119.1834 4.345448 -4.422112      8.485075 
1 1 1 -17 11 5  o 59.99812 3.397261 177.0526       19.86985 126.1791       29.20627 220.8886       27.11100 50.27755 6.056502 66.96467 4.156616 -16.68712      7.345657 
1 1 1 -17 11 6  o 158.4566 4.113489 1232.913       63.74696 1266.000       111.9986 1217.058       77.53075 160.0372 7.167849 157.3032 5.041868 2.733963       8.763474 
1 1 1 -17 11 7  o 328.3944 7.340879 5323.131       235.9663 5966.000       442.1898 5067.181       279.0133 344.2213 13.14813 319.6344 8.926693 24.58685       15.89211 
1 1 1 -17 11 8  o 87.34850 3.421904 374.6889       29.20038 398.3000       49.22801 361.8718       36.27015 89.80923 5.628260 85.74946 4.335340 4.059769       7.104398 
1 1 1 -17 11 9  o 49.95838 4.146635 123.3345       20.09478 173.3000       32.04463 90.95219       25.79730 59.09059 5.607374 42.50101 6.399432 16.58958       8.508548 
1 1 1 -17 11 10 o 48.01628 4.681865 114.3235       21.72543 110.6109       27.32779 120.7000       35.81409 47.00840 6.081506 48.82909 7.751976 -1.820690      9.852809 
1 1 1 -17 11 11 o 27.24245 7.629502 37.72744       21.14936 31.14000       50.84705 39.10553       23.25660 30.68091 11.88175 27.82174 8.070151 2.859175       14.36326 
1 1 1 -17 11 12 o 131.5990 3.347910 849.8727       43.09034 799.1827       60.45543 902.2173       61.43423 127.4195 4.856114 135.4280 4.641283 -8.008514      6.717392 
1 1 1 -17 11 13 o 108.4842 3.173005 577.5638       33.65708 585.0552       48.49667 570.6029       46.74807 109.0287 4.554308 107.6857 4.444612 1.342964       6.363670 
1 1 1 -17 11 14 o 42.44513 4.031041 89.24329       16.54678 74.96948       23.06379 104.3826       23.75277 38.49263 6.342022 45.73774 5.410207 -7.245117      8.336161 
1 1 1 -17 11 15 o 86.13422 3.091319 364.2987       26.02081 364.6290       37.39009 363.9886       36.23507 86.02138 4.455810 85.96310 4.320212 0.5828094E-01  6.206326 
1 1 1 -17 11 16 o 89.89664 3.040902 396.7800       26.71939 403.7858       37.90211 389.8587       37.67277 90.54616 4.288677 88.96069 4.339458 1.585464       6.101118 
1 1 1 -17 11 17 o 86.31390 3.017134 365.8498       25.45149 348.7505       35.20847 384.5646       36.83423 84.12325 4.290040 88.35014 4.271960 -4.226883      6.054261 
1 1 1 -17 11 18 o 102.7366 3.475588 518.7492       34.90067 555.0000       57.34234 497.4189       43.98603 105.9316 5.549589 100.4580 4.484566 5.473679       7.135073 
1 1 1 -17 11 19 o 108.5246 3.534208 579.0169       37.49272 607.6000       61.43427 562.0527       47.32864 110.7842 5.684354 106.7645 4.539239 4.019661       7.274377 
1 1 1 -17 11 20 o 69.07928 3.267553 234.8305       22.03150 223.0684       29.69133 249.2408       32.86419 67.14858 4.544145 70.96008 4.759056 -3.811501      6.580112 
1 1 1 -17 11 21 o 63.21741 3.388656 196.9066       20.89202 180.3619       28.16803 217.1368       31.14772 60.28360 4.813613 66.17410 4.842270 -5.890491      6.827770 
1 1 1 -17 11 22 o 56.03468 4.691942 155.9848       25.49844 112.2000       50.95924 170.6085       29.45031 45.91208 11.39353 58.52582 5.194773 -12.61375      12.52190 
1 1 1 -17 11 23 o 128.1413 3.949539 809.6078       49.47922 975.2000       97.92834 752.8430       57.33614 139.4864 7.196831 123.3562 4.757472 16.13022       8.627162 
1 1 1 -17 11 24 o 85.11492 3.924964 357.8416       32.61195 316.9000       61.47169 373.8781       38.47235 78.90693 8.072558 86.87213 4.540169 -7.965202      9.261713 
1 1 1 -17 11 25 o 166.0457 4.449839 1364.072       72.25809 1329.000       128.0213 1380.468       87.53397 161.8906 8.104720 166.6312 5.373812 -4.740601      9.724420 
1 1 1 -17 11 26 o 106.2089 3.894376 557.5886       40.41747 487.5000       74.59179 586.7194       48.08879 97.81167 7.857059 108.7645 4.526902 -10.95280      9.067867 
1 1 1 -17 11 27 o 94.26195 3.897971 439.7065       35.88749 407.6000       67.35815 452.4327       42.40768 89.28812 7.784848 95.42838 4.553186 -6.140259      9.018612 
1 1 1 -17 11 28 o 64.66759 3.839134 207.4711       24.19174 193.6176       27.75291 251.3000       49.36388 62.28251 4.584483 70.02982 7.308920 -7.747311      8.627734 
1 1 1 -17 11 29 o 24.92257 6.865601 32.49947       17.28152 18.79338       19.03497 96.78000       41.22258 20.61327 7.407454 42.06470 10.13278 -21.45144      12.55164 
1 1 1 -17 11 30 o 38.53952 4.784437 75.12525       17.66119 46.00922       22.00167 127.8786       29.61521 29.42350 7.589597 49.99215 6.183820 -20.56866      9.789873 
1 1 1 -17 11 31 o 60.79067 4.126620 184.4077       24.40932 157.7568       28.65997 254.8000       46.57813 55.84669 5.306593 70.41073 6.844562 -14.56403      8.660713 
1 1 1 -17 11 32 o 61.70520 4.543047 190.9563       27.24705 173.6000       33.90580 222.6000       45.78137 58.28227 6.030361 65.48163 7.264811 -7.199360      9.441543 
1 1 1 -17 11 33 o 29.84611 7.016160 47.44643       20.14928 65.60567       23.71741 0.3441000      38.19791 35.16254 7.135138 21.94292 9.540019 13.21962       11.91311 
1 1 1 -17 11 34 o 29.49659 7.193924 46.62279       20.58146 28.94934       24.09468 94.32000       39.58284 24.19967 8.364624 41.02728 9.958377 -16.82761      13.00524 
1 1 1 -17 11 35 o 54.51249 4.259044 149.3258       22.54528 157.6879       30.83073 139.7148       33.05280 55.44353 5.765110 51.75225 6.680579 3.691288       8.824206 
1 1 1 -17 11 36 o 58.11194 4.157539 169.6873       23.49249 229.2002       33.11654 109.4001       33.33130 67.17593 5.073971 45.05093 7.843415 22.12499       9.341538 
1 1 1 -17 11 37 o 13.07580 6.084809 -15.05877      18.89552 5.878409       25.33264 -41.31574      28.36898 18.93849 7.988297 13.97236 6.762493 4.966123       10.46634 
1 1 1 -17 11 38 o 20.06464 7.874041 15.27799       22.56885 15.03393       26.35019 15.95000       43.72514 20.91308 8.409376 24.66836 10.45431 -3.755281      13.41679 
1 1 1 -17 11 39 o 40.07662 5.847530 84.68853       22.26320 79.61753       30.21292 90.71351       32.93243 37.47398 8.440250 39.92027 8.676261 -2.446297      12.10435 
1 1 1 -17 11 40 o 67.90244 4.053577 233.2197       26.81938 244.1398       38.38213 222.8011       37.49025 68.35201 5.791284 65.17065 5.942357 3.181366       8.297625 
1 1 1 -17 11 41 o 21.15787 7.859478 21.36208       21.69575 40.41495       29.95134 0.3283527      31.46981 26.84048 9.323426 19.37083 8.533774 7.469650       12.63929 
1 1 1 -17 11 42 o 21.33229 7.971904 21.79894       22.38604 26.88623       31.53716 16.63251       31.78154 23.88713 9.327368 21.98736 9.085093 1.899771       13.02070 
1 1 1 -17 11 43 o 15.95551 7.059859 -2.381190      21.76268 -13.40015      30.56498 8.949031       30.99367 17.20546 7.911466 20.44969 8.738543 -3.244232      11.78785 
1 1 1 -17 11 44 o 15.27812 7.100580 -15.91693      25.60288 1.468084       30.42051 -58.14000      47.40825 19.06629 8.395308 17.73267 8.619616 1.333624       12.03241 
1 1 1 -17 11 45 o 26.83065 8.234277 41.92444       23.69085 92.75744       35.36398 0.5374402      31.90952 39.07172 9.368207 19.22562 8.525591 19.84610       12.66685 
1 1 1 -17 11 46 o 13.36789 6.400715 -26.64676      23.85827 -82.73000      40.46514 3.238326       29.53872 14.50061 7.218101 18.92892 8.305832 -4.428305      11.00399 
1 1 1 -17 11 47 o 52.98938 4.960537 147.3565       25.42997 151.4892       38.20755 144.0697       34.07330 51.29971 7.858979 50.73410 7.051683 0.5656166      10.55887 
1 1 1 -17 11 48 o 46.66677 5.545266 116.6975       24.83537 156.5638       37.83321 86.51006       32.92179 52.28021 7.616911 37.44431 9.077679 14.83590       11.84996 
1 1 1 -17 11 49 o 37.78719 6.815675 80.35999       24.28194 116.6569       37.00626 52.91741       32.17756 43.79829 8.935007 28.90187 9.671400 14.89642       13.16702 
1 1 1 -17 11 50 o 20.35578 7.960073 19.49584       22.99630 -10.69357      34.90679 42.64520       30.56695 18.22832 8.408114 26.41435 9.398801 -8.186028      12.61086 
1 1 1 -17 11 51 o 20.16196 7.976857 18.53815       23.32993 0.9694758E-01  34.64620 33.83717       31.55679 19.40706 8.724784 24.45024 9.388907 -5.043179      12.81692 
1 1 1 -17 11 52 o 31.74332 8.801501 62.79876       28.29881 24.20000       52.90472 78.26894       33.49310 24.92128 11.01813 34.87607 9.538241 -9.954792      14.57317 
1 1 1 -17 11 53 o 36.64680 8.396628 81.73426       29.47214 47.63000       55.09864 95.40280       34.88170 27.70261 11.73763 38.80811 9.303534 -11.10550      14.97757 
1 1 1 -17 11 54 f 23.87408 9.249776 32.79248       30.82564 71.06756       37.77314 -43.52000      53.33629 31.98451 10.47026 19.09141 9.247810 12.89310       13.96955 
1 1 1 -17 11 55 o 26.34016 9.018396 44.48071       27.98725 114.1144       36.87529 -50.13000      42.98292 42.20732 9.187053 16.49514 8.059730 25.71219       12.22134 
1 1 1 -17 11 56 o 28.40080 9.907374 55.64489       33.83943 12.50000       53.97273 83.59000       43.43727 22.99170 10.55038 33.12233 11.23726 -10.13062      15.41384 
1 1 1 -17 12 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 2  o 120.9279 4.329091 718.7529       51.15973 0.000000       0.000000 718.7529       51.15973 ?        ?        120.9279 4.329091 ?              ?        
1 1 1 -17 12 3  o 123.0654 3.744514 743.5746       45.05387 730.8000       86.59589 748.3159       52.75644 121.4611 7.317668 123.3864 4.375118 -1.925339      8.525839 
1 1 1 -17 12 4  o 163.7404 5.117724 1318.995       81.92290 0.000000       0.000000 1318.995       81.92290 ?        ?        163.7404 5.117724 ?              ?        
1 1 1 -17 12 5  o 51.69402 4.816994 132.4066       24.09322 0.000000       0.000000 132.4066       24.09322 ?        ?        51.69402 4.816994 ?              ?        
1 1 1 -17 12 6  o 49.99446 4.951828 124.0136       23.91422 0.000000       0.000000 124.0136       23.91422 ?        ?        49.99446 4.951828 ?              ?        
1 1 1 -17 12 7  o 189.9098 4.646210 1771.591       86.36790 1648.000       144.1296 1840.836       107.8829 182.3140 8.096772 193.3230 5.707403 -11.00899      9.906168 
1 1 1 -17 12 8  o 19.17221 7.487756 10.98091       20.32714 24.53000       25.83007 -11.06000      32.94468 24.10600 8.632959 19.54202 8.664503 4.563971       12.23117 
1 1 1 -17 12 9  o 167.6068 5.230527 1382.953       85.70603 0.000000       0.000000 1382.953       85.70603 ?        ?        167.6068 5.230527 ?              ?        
1 1 1 -17 12 10 o 81.50419 3.199483 326.2261       25.47543 286.7642       37.03136 361.6820       35.10145 76.21059 4.991663 85.72518 4.195965 -9.514595      6.520952 
1 1 1 -17 12 11 o 92.35558 3.161369 418.7191       28.53671 368.9194       40.52842 467.6852       40.18774 86.50243 4.805464 97.50143 4.220913 -10.99900      6.395982 
1 1 1 -17 12 12 o 51.04469 3.768270 128.5613       18.69502 124.6714       26.60237 132.3570       26.27813 50.02501 5.524773 51.59998 5.277050 -1.574974      7.640051 
1 1 1 -17 12 13 f 192.6384 4.687820 1824.388       88.39346 1898.000       155.6728 1789.361       107.3837 195.4360 8.155625 190.4756 5.766243 4.960434       9.988182 
1 1 1 -17 12 14 o 252.1803 5.814198 3135.290       143.5182 3353.000       258.8077 3038.612       172.4648 258.6236 10.24384 247.7122 7.120291 10.91135       12.47537 
1 1 1 -17 12 15 o 70.87330 3.146098 246.8710       21.77095 261.5256       31.04274 232.6863       30.54093 72.81166 4.375842 68.63860 4.571834 4.173058       6.328480 
1 1 1 -17 12 16 o 56.57425 3.481439 157.6936       19.18559 156.8982       26.91404 158.5154       27.35642 56.24138 4.939071 56.52401 4.995854 -0.2826233     7.025168 
1 1 1 -17 12 17 o 27.07722 5.766535 37.55046       14.81490 36.00826       19.47330 39.66959       22.82692 26.52574 7.280380 27.89686 7.965590 -1.371124      10.79141 
1 1 1 -17 12 18 f 105.4805 3.145276 546.5280       32.43784 504.7216       44.99092 591.7859       46.81128 101.1557 4.555584 109.5817 4.372998 -8.425964      6.314782 
1 1 1 -17 12 19 o 73.70245 3.191139 267.1869       22.96696 263.7471       31.88456 270.8962       33.11051 73.04812 4.480845 74.01692 4.592757 -0.9688034     6.416493 
1 1 1 -17 12 20 o 59.27224 3.418549 173.1887       19.74936 186.4963       26.77335 157.3048       29.25035 61.36020 4.488745 56.16795 5.386230 5.192249       7.011441 
1 1 1 -17 12 21 o 105.2306 3.180911 544.4815       32.72661 595.0848       47.31510 498.0669       45.31453 109.7851 4.412000 100.3779 4.624467 9.407257       6.391513 
1 1 1 -17 12 22 o 78.59951 3.201267 304.1364       24.57753 282.0848       33.61387 329.4681       36.02724 75.45775 4.572476 81.57909 4.529542 -6.121338      6.436170 
1 1 1 -17 12 23 o 58.36462 4.621078 169.3769       26.18441 244.1000       55.66131 148.1414       29.67271 69.04849 8.408751 54.33638 5.662016 14.71211       10.13733 
1 1 1 -17 12 24 o 169.1536 4.504233 1415.769       74.51122 1386.000       132.6202 1429.500       90.07134 165.2835 8.223182 169.5534 5.434193 -4.269913      9.856529 
1 1 1 -17 12 25 o 69.16925 4.285705 237.4502       28.87375 140.1000       56.44242 271.9563       33.60355 50.71456 11.61989 73.95045 4.666143 -23.23590      12.52178 
1 1 1 -17 12 26 o 72.44156 4.153071 260.3673       29.32510 283.0000       60.43693 253.3979       33.53766 74.00560 8.497148 71.29044 4.834730 2.715164       9.776304 
1 1 1 -17 12 27 o 89.85529 5.080144 403.2905       44.49931 336.5000       66.05151 458.8000       60.21563 80.58383 8.501913 95.26287 6.496600 -14.67904      10.69992 
1 1 1 -17 12 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 12 29 o 106.6410 3.298851 561.9892       34.39303 586.5337       48.78500 537.7361       48.49448 108.4553 4.605949 103.7602 4.787708 4.695168       6.643562 
1 1 1 -17 12 30 o 53.70146 4.402546 144.4129       22.93877 127.9244       26.38842 195.4000       46.40371 50.21146 5.456787 61.11577 7.944855 -10.90431      9.638322 
1 1 1 -17 12 31 o 94.26089 3.619608 440.8036       33.33431 465.7000       52.05219 423.4945       43.40178 96.02002 5.562037 91.90012 4.841950 4.119896       7.374329 
1 1 1 -17 12 32 o 70.40708 4.113546 247.4957       28.22559 269.5455       34.45422 202.5000       49.21814 73.21620 4.834668 61.77351 8.353759 11.44270       9.651907 
1 1 1 -17 12 33 o 46.12638 5.180315 108.2637       22.98524 111.3485       27.27248 100.7000       42.70546 46.43547 6.151405 42.27515 10.39431 4.160324       12.07814 
1 1 1 -17 12 34 o 32.01391 6.971043 54.72456       21.22401 79.62743       25.29467 -4.515000      39.01308 38.80587 6.912733 21.38300 9.457342 17.42286       11.71440 
1 1 1 -17 12 35 o 40.09119 6.011612 83.63496       22.86456 72.98460       27.30961 108.6000       41.81186 36.68216 7.843533 43.83781 9.970096 -7.155651      12.68558 
1 1 1 -17 12 36 o 84.51099 4.552157 360.2951       37.51725 279.9000       78.30688 384.2472       42.74216 68.64802 12.09548 86.99168 5.041235 -18.34366      13.10400 
1 1 1 -17 12 37 o 60.41625 4.110531 183.9598       24.16372 206.9442       33.96964 160.4176       34.37936 63.37564 5.531361 55.22675 6.483083 8.148891       8.522108 
1 1 1 -17 12 38 o 41.94363 5.374149 91.48068       21.55760 93.56879       28.93536 88.87575       32.31853 41.39495 7.413533 39.65609 8.575982 1.738861       11.33613 
1 1 1 -17 12 39 o 46.58496 5.889966 114.2448       26.25815 117.9313       31.58783 106.0000       47.23854 46.60195 7.152985 41.17516 11.35427 5.426792       13.41956 
1 1 1 -17 12 40 o 38.65643 6.068437 79.71050       22.20626 84.47912       30.51686 74.34377       32.37416 38.51048 8.337753 35.54268 9.225971 2.967804       12.43530 
1 1 1 -17 12 41 o 34.50348 6.878908 65.47269       22.41658 57.90842       30.75210 74.04935       32.74538 31.24750 9.338156 35.28343 9.337432 -4.035931      13.20564 
1 1 1 -17 12 42 o 17.21683 7.298789 5.104193       21.32462 39.11501       29.19604 -33.78756      31.22080 26.35596 9.202003 15.31446 7.329878 11.04149       11.76452 
1 1 1 -17 12 43 o 17.01136 7.576852 -3.123632      25.48358 17.89668       30.11311 -56.16000      47.83248 21.75575 8.900599 17.98113 8.721243 3.774620       12.46117 
1 1 1 -17 12 44 o 40.24070 6.451166 88.37785       24.55206 130.9784       36.02729 51.43713       33.54876 47.96868 7.951346 29.08344 9.875587 18.88524       12.67877 
1 1 1 -17 12 45 o 45.70781 6.262465 113.3109       27.28239 107.5000       45.30659 116.6167       34.17280 40.38545 11.11306 45.03164 8.048171 -4.646183      13.72126 
1 1 1 -17 12 46 o 45.73466 5.555114 111.7719       24.35888 143.1162       36.04482 85.42411       33.04734 50.14240 7.580364 37.31917 9.124415 12.82323       11.86242 
1 1 1 -17 12 47 o 38.22555 6.747113 81.83646       24.32251 122.2497       36.86955 50.69751       32.36370 45.21353 8.645913 28.42467 9.698776 16.78886       12.99300 
1 1 1 -17 12 48 o 34.77180 7.216724 69.24965       23.75739 49.99946       36.22401 83.77971       31.47116 28.15230 10.20501 37.07098 8.804631 -8.918680      13.47827 
1 1 1 -17 12 49 o 44.63102 5.817918 108.0487       24.81178 139.7233       37.73481 83.92415       32.93185 48.66810 8.213234 36.62678 9.199320 12.04132       12.33226 
1 1 1 -17 12 50 o 31.62557 7.739889 59.20709       23.76162 57.25558       35.23676 60.83460       32.17903 29.57108 10.11937 30.71918 9.624887 -1.148098      13.96568 
1 1 1 -17 12 51 o 36.38512 7.063659 75.73393       24.24973 85.96334       35.85204 67.10748       32.92342 36.37913 9.834917 32.17664 9.672955 4.202488       13.79462 
1 1 1 -17 12 52 o 32.13652 7.814453 61.69109       24.34039 86.03924       36.09724 41.38987       32.96114 36.15952 9.907308 25.94565 9.677811 10.21387       13.84972 
1 1 1 -17 12 53 o 25.87617 8.474255 40.88148       24.74290 48.64500       37.13544 34.68335       33.18102 27.41793 10.26321 24.54059 9.571735 2.877340       14.03394 
1 1 1 -17 12 54 o 17.31479 7.759764 -0.5770621     27.16929 -17.14000      50.12334 6.314165       32.33104 20.29759 9.591281 19.46400 8.608971 0.8335896      12.88825 
1 1 1 -17 12 55 o 27.73395 9.795600 52.22548       33.14950 0.000000       0.000000 52.22548       33.14950 ?        ?        27.73395 9.795600 ?              ?        
1 1 1 -17 13 1  o 85.13433 3.954355 356.4351       32.86235 0.000000       0.000000 356.4351       32.86235 ?        ?        85.13433 3.954355 ?              ?        
1 1 1 -17 13 2  o 155.3322 4.129341 1185.166       62.72825 1362.000       124.1630 1124.564       72.68651 165.8091 7.671076 151.1900 4.918162 14.61909       9.112284 
1 1 1 -17 13 3  o 46.40408 4.530714 106.7579       20.31738 78.77000       54.99764 111.1812       21.86401 39.79667 12.59836 47.33040 4.785013 -7.533733      13.47646 
1 1 1 -17 13 4  o 138.6006 4.640623 944.7625       62.86876 0.000000       0.000000 944.7625       62.86876 ?        ?        138.6006 4.640623 ?              ?        
1 1 1 -17 13 5  o 46.36737 5.130116 106.9852       22.89439 0.000000       0.000000 106.9852       22.89439 ?        ?        46.36737 5.130116 ?              ?        
1 1 1 -17 13 6  o 108.1787 4.302262 575.5673       45.46507 0.000000       0.000000 575.5673       45.46507 ?        ?        108.1787 4.302262 ?              ?        
1 1 1 -17 13 7  o 51.87634 6.590714 134.8392       32.71191 70.45000       58.65998 163.9000       39.40842 38.55540 13.05890 57.15948 7.203219 -18.60407      14.91379 
1 1 1 -17 13 8  o 175.8465 5.389237 1522.993       92.65191 0.000000       0.000000 1522.993       92.65191 ?        ?        175.8465 5.389237 ?              ?        
1 1 1 -17 13 9  o 25.49982 6.504198 33.30519       16.28365 50.79994       25.05002 20.50292       21.42880 31.43397 8.093241 22.01187 7.865419 9.422094       11.28563 
1 1 1 -17 13 10 o 84.50217 3.178495 350.6549       26.24344 342.6903       39.63730 356.8714       35.01811 83.34347 4.880122 85.14098 4.215025 -1.797508      6.448413 
1 1 1 -17 13 11 o 171.3083 4.330952 1442.697       72.56374 1685.000       137.1555 1348.512       85.51163 184.3043 7.619196 165.4360 5.287459 18.86824       9.274124 
1 1 1 -17 13 12 o 122.0184 3.284529 730.8835       39.19307 668.1860       55.87276 791.6208       54.99247 116.4403 4.913236 126.8349 4.436366 -10.39461      6.619761 
1 1 1 -17 13 13 o 102.4248 3.423643 515.3585       34.27591 562.4000       59.53197 492.0318       41.92149 106.6555 5.723401 99.96912 4.294163 6.686401       7.155219 
1 1 1 -17 13 14 o 20.64169 6.437110 20.90430       14.41102 0.2136042      20.13911 42.61651       20.63027 16.62136 7.071470 28.77845 7.310555 -12.15709      10.17103 
1 1 1 -17 13 15 o 40.58485 4.179917 81.81139       16.36777 106.5064       23.53874 58.69254       22.77517 46.19071 5.302245 33.79897 7.109856 12.39174       8.869265 
1 1 1 -17 13 16 o 56.10070 3.539668 155.1595       19.33826 166.4224       27.93928 144.8015       26.79354 57.91169 4.977045 53.96447 5.134215 3.947227       7.150604 
1 1 1 -17 13 17 o 158.7517 4.147302 1240.413       64.38995 1402.000       117.5083 1171.076       76.97507 167.8597 7.168309 154.0212 5.112882 13.83858       8.804897 
1 1 1 -17 13 18 o 104.1317 3.130504 532.8190       31.87206 477.7223       44.11728 592.9676       46.09558 98.36417 4.594808 109.6675 4.302478 -11.30333      6.294726 
1 1 1 -17 13 19 o 74.57274 3.241797 273.6643       23.60660 274.3525       33.07828 272.9500       33.69995 74.46835 4.559867 74.25941 4.659790 0.2089386      6.519665 
1 1 1 -17 13 20 o 118.9554 3.626923 696.6112       42.18140 762.3000       72.14973 662.4993       51.99268 123.8353 5.969874 115.7974 4.596220 8.037956       7.534230 
1 1 1 -17 13 21 o 42.31248 4.195638 89.11214       17.14831 96.44693       22.53712 79.02645       26.42759 43.81435 5.366981 39.19146 7.152529 4.622890       8.942212 
1 1 1 -17 13 22 o 59.56824 3.469239 175.2110       20.14057 194.7437       27.88678 153.9137       29.11931 62.61421 4.581801 55.44666 5.435117 7.167553       7.108685 
1 1 1 -17 13 23 o 35.10860 4.834277 62.14377       16.17257 41.50266       20.56651 95.58706       26.17873 28.21782 7.367865 43.31977 6.363385 -15.10195      9.735404 
1 1 1 -17 13 24 o 53.96164 4.901086 145.5599       25.60502 236.8000       56.85407 122.3453       28.67801 67.61963 8.798219 49.13980 6.092661 18.47983       10.70183 
1 1 1 -17 13 25 f 131.3091 4.036994 852.9938       51.82545 924.6000       99.13629 826.0656       60.79418 134.9493 7.535007 128.9215 4.826116 6.027817       8.948057 
1 1 1 -17 13 26 o 92.09416 5.019043 423.3011       45.07281 409.1000       70.32829 433.2000       58.71674 89.13654 8.150721 92.55716 6.522828 -3.420624      10.43942 
1 1 1 -17 13 27 o 115.8374 5.054121 670.4432       57.16815 552.5000       82.53757 779.2000       79.25806 103.3911 8.223422 124.0481 6.550725 -20.65694      10.51364 
1 1 1 -17 13 28 o 93.51389 4.010871 434.2561       36.62775 468.9000       74.25842 423.1176       42.10623 95.16058 8.047657 92.06163 4.688065 3.098946       9.313578 
1 1 1 -17 13 29 o 49.50080 5.525576 124.4515       26.31688 134.9000       61.15739 122.0771       29.15418 48.34613 12.74501 48.77758 6.249647 -0.4314499     14.19483 
1 1 1 -17 13 30 o 67.56253 3.815286 227.0925       25.12875 257.2000       37.78704 203.2209       33.64700 71.32990 5.453439 63.35002 5.480004 7.979885       7.731135 
1 1 1 -17 13 31 o 65.12625 3.621808 210.8821       22.99714 199.2046       31.12276 224.9259       34.13070 62.80680 5.106524 66.69620 5.270846 -3.889397      7.338828 
1 1 1 -17 13 32 o 37.09682 5.243742 70.49341       18.51047 72.07275       23.87863 68.11530       29.30130 36.97803 6.849377 35.34328 8.561301 1.634750       10.96402 
1 1 1 -17 13 33 o 61.54361 3.954946 189.3271       23.69871 219.3233       32.25132 154.1211       34.93999 65.84214 5.042603 54.42936 6.699363 11.41278       8.385065 
1 1 1 -17 13 34 o 33.43116 6.573153 59.20837       20.74254 65.12980       24.10250 42.30000       40.72864 34.83337 7.302836 29.18949 10.78219 5.643885       13.02256 
1 1 1 -17 13 35 o 16.75906 7.027351 4.298724       19.42296 5.548880       22.03441 -0.5752000E-01 41.13159 17.90919 7.495562 22.29552 9.791517 -4.386332      12.33115 
1 1 1 -17 13 36 o 25.71619 7.804863 35.85154       21.36218 48.61974       24.52704 -4.268000      43.47687 29.60647 8.188249 22.17037 9.884249 7.436096       12.83533 
1 1 1 -17 13 37 o 45.88760 4.858292 107.9814       21.49048 123.6449       28.73180 88.09005       32.37816 48.47987 6.196176 39.54571 8.609377 8.934158       10.60726 
1 1 1 -17 13 38 o 21.92461 7.565098 24.70898       19.70539 53.10224       26.27152 -11.81148      29.79516 30.50638 8.488623 17.36978 7.920638 13.13660       11.61005 
1 1 1 -17 13 39 o 19.86665 7.561908 17.22548       20.35247 17.21186       27.37908 17.24231       30.42708 21.36325 8.578366 21.99359 8.966230 -0.6303329     12.40893 
1 1 1 -17 13 40 o 39.76675 6.398312 85.21143       24.06053 101.1000       34.59233 70.32113       33.48799 41.86556 8.724803 34.25123 9.603373 7.614334       12.97486 
1 1 1 -17 13 41 o 22.64824 7.902919 27.11167       21.53270 61.04536       29.65627 -10.72431      31.31508 32.10445 9.049983 17.78115 8.112801 14.32330       12.15400 
1 1 1 -17 13 42 f 18.73633 7.918991 7.702638       24.97687 15.84541       29.34415 -13.71000      47.58503 21.27636 8.754302 21.29129 9.819542 -0.1493454E-01 13.15527 
1 1 1 -17 13 43 f 49.76437 6.538322 134.4537       31.07896 76.04000       61.35653 154.6136       36.04520 33.38073 13.01704 52.92955 7.139207 -19.54882      14.84626 
1 1 1 -17 13 44 o 17.66150 7.652556 3.357883       24.40738 -23.21000      38.34122 21.45980       31.64825 18.11688 8.507357 22.52875 9.159312 -4.411863      12.50072 
1 1 1 -17 13 45 o 40.56327 6.354243 90.11955       24.40142 105.3109       35.33256 76.26670       33.74012 41.91691 8.887609 34.94870 9.579513 6.968204       13.06739 
1 1 1 -17 13 46 o 22.63842 8.026522 28.32385       22.27478 -4.551330      32.52243 57.37154       30.57066 18.48042 8.367126 30.27883 9.364726 -11.79840      12.55814 
1 1 1 -17 13 47 o 26.91897 8.054943 43.18713       22.86992 50.21976       33.84082 37.27507       31.02784 28.18951 9.902214 25.26862 9.396621 2.920895       13.65102 
1 1 1 -17 13 48 o 33.62596 7.311667 65.18504       23.37823 70.45454       34.63358 60.77423       31.68630 32.97335 9.922913 30.92657 9.528690 2.046785       13.75718 
1 1 1 -17 13 49 o 24.39059 8.139434 34.89465       22.79330 32.15400       33.20974 37.33546       31.34059 24.27415 9.543878 25.21781 9.430769 -0.9436588     13.41734 
1 1 1 -17 13 50 o 30.34698 7.695354 54.56011       22.88774 44.64918       33.44333 63.29164       31.39043 26.79720 9.791771 31.43472 9.443978 -4.637522      13.60395 
1 1 1 -17 13 51 o 28.59563 7.942658 49.13473       23.02333 65.11868       33.71972 35.17521       31.51208 31.50879 9.849712 24.65893 9.403771 6.849859       13.61792 
1 1 1 -17 13 52 o 26.03026 8.259489 41.19713       23.62666 29.89498       34.83232 50.82826       32.15440 23.76941 9.629063 28.04065 9.664175 -4.271238      13.64240 
1 1 1 -17 13 53 o 24.04666 9.144149 33.89330       29.74275 41.14265       35.86944 17.94000       53.21086 25.76450 9.979047 23.94406 10.78436 1.820442       14.69299 
1 1 1 -17 13 54 o 17.80922 7.847181 4.009508       26.62053 -9.881000      49.00627 9.823900       31.70624 20.59760 9.654983 19.76916 8.641588 0.8284454      12.95746 
1 1 1 -17 13 55 o 40.39428 6.619311 93.66753       25.26642 91.72486       37.55276 95.27437       34.15295 36.19752 10.17681 38.09048 9.253023 -1.892963      13.75449 
1 1 1 -17 14 1  o 141.6400 3.445171 984.0336       47.76426 919.4041       68.66904 1044.612       66.48177 136.6289 5.143853 145.7265 4.666790 -9.097610      6.945368 
1 1 1 -17 14 2  o 149.8798 4.164140 1103.825       61.03143 923.0000       110.2015 1183.823       73.29882 136.2101 8.305032 155.1139 4.833598 -18.90381      9.609225 
1 1 1 -17 14 3  o 249.7525 5.776757 3071.917       141.2213 2875.000       237.3309 3179.859       175.7146 239.8684 10.13104 253.6086 7.085388 -13.74013      12.36288 
1 1 1 -17 14 4  o 103.3764 4.159925 525.5710       42.00737 0.000000       0.000000 525.5710       42.00737 ?        ?        103.3764 4.159925 ?              ?        
1 1 1 -17 14 5  o 51.31792 7.771570 133.2000       37.81712 0.000000       0.000000 133.2000       37.81712 ?        ?        51.31792 7.771570 ?              ?        
1 1 1 -17 14 6  o 98.48732 3.703067 476.6412       35.63477 371.1000       72.71428 510.0001       40.88030 86.01989 8.758054 101.8337 4.109693 -15.81383      9.674352 
1 1 1 -17 14 7  o 53.95925 4.251027 143.8807       22.27135 79.70000       55.95947 155.9601       24.27687 39.97783 12.71436 56.16712 4.452145 -16.18929      13.47132 
1 1 1 -17 14 8  o 121.1323 4.400615 721.8807       52.09034 0.000000       0.000000 721.8807       52.09034 ?        ?        121.1323 4.400615 ?              ?        
1 1 1 -17 14 9  o 181.2820 4.505790 1615.259       79.95245 1537.000       136.6390 1656.004       98.59291 175.8703 7.957977 183.2815 5.501901 -7.411194      9.674725 
1 1 1 -17 14 10 o 132.0991 3.365537 856.7075       43.48173 778.9175       61.95913 932.1971       61.03615 125.7061 5.045755 137.6277 4.537002 -11.92166      6.785576 
1 1 1 -17 14 11 o 71.38978 3.239912 250.5335       22.58094 211.0418       34.42509 280.3574       29.91608 65.22659 5.441457 75.43698 4.066516 -10.21040      6.793085 
1 1 1 -17 14 12 o 95.12969 3.106840 444.3842       28.89072 405.4177       41.74372 480.2093       40.02570 90.65547 4.720517 98.76810 4.149393 -8.112633      6.284962 
1 1 1 -17 14 13 o 162.7149 4.192467 1302.294       66.71774 1437.000       121.5408 1244.198       79.81866 170.0724 7.318118 158.8408 5.140539 11.23163       8.943153 
1 1 1 -17 14 14 o 57.88157 3.410257 165.0343       19.23556 164.3766       27.97706 165.6240       26.49019 57.54955 5.016628 57.81465 4.722122 -0.2651062     6.889484 
1 1 1 -17 14 15 o 56.12911 3.439927 155.2753       18.80843 131.0148       27.00069 178.1443       26.21498 51.24172 5.467628 59.99659 4.496638 -8.754871      7.079175 
1 1 1 -17 14 16 o 126.4268 3.681764 786.1439       45.51332 871.6000       81.66330 747.6400       54.81605 132.5057 6.314481 123.1268 4.556156 9.378868       7.786606 
1 1 1 -17 14 17 o 61.24202 3.364385 184.7917       20.09046 191.1166       29.21266 179.1156       27.67412 62.06598 4.846928 60.09138 4.743395 1.974598       6.781778 
1 1 1 -17 14 18 o 29.11554 5.753952 43.40300       15.81662 64.25173       22.40626 22.69578       22.33010 35.39145 6.713481 22.71564 8.038145 12.67580       10.47295 
1 1 1 -17 14 19 o 120.9314 3.667895 720.1242       43.36706 772.0000       74.92939 693.9940       53.17920 124.5336 6.166125 118.5095 4.593096 6.024094       7.688799 
1 1 1 -17 14 20 o 183.9594 4.036566 1667.746       72.68424 1635.962       102.7908 1699.531       102.7913 181.4461 5.795053 184.9942 5.683393 -3.548050      8.116872 
1 1 1 -17 14 21 f 143.7337 3.520036 1016.989       49.52355 1033.460       71.44838 1001.759       68.70586 144.3610 5.064185 142.1704 4.944703 2.190598       7.077857 
1 1 1 -17 14 22 o 107.2596 3.198383 566.5044       33.54187 587.2277       48.17755 547.0106       46.72647 108.8744 4.530675 105.0669 4.554320 3.807457       6.424084 
1 1 1 -17 14 23 o 133.8568 4.058798 885.8398       53.11803 942.6000       102.1199 864.7866       62.19381 136.3360 7.683419 131.9816 4.822346 4.354446       9.071382 
1 1 1 -17 14 24 o 83.48416 3.990126 345.1771       32.51157 420.4000       67.38158 322.3506       37.11805 90.78562 7.653817 80.47538 4.733013 10.31024       8.999019 
1 1 1 -17 14 25 o 106.6655 4.919879 567.0263       51.22871 509.5000       77.19463 612.3000       68.48205 99.64293 7.981388 110.1874 6.376729 -10.54443      10.21593 
1 1 1 -17 14 26 o 96.66109 4.996968 466.9274       47.11810 425.9000       71.83985 497.9000       62.41899 90.74740 8.175257 99.14310 6.467331 -8.395706      10.42407 
1 1 1 -17 14 27 o 113.9765 3.989748 644.6191       44.44231 561.3000       82.32724 678.8845       52.79580 104.1025 8.144123 116.6941 4.631352 -12.59155      9.368894 
1 1 1 -17 14 28 o 97.56436 4.637346 475.4206       44.15928 0.000000       0.000000 475.4206       44.15928 ?        ?        97.56436 4.637346 ?              ?        
1 1 1 -17 14 29 o 65.32466 5.247233 215.3793       33.26964 0.000000       0.000000 215.3793       33.26964 ?        ?        65.32466 5.247233 ?              ?        
1 1 1 -17 14 30 f 23.33178 8.391081 25.17645       24.43146 -11.37000      61.85845 31.93104       26.59353 26.01537 11.67993 25.42123 8.787634 0.5941391      14.61654 
1 1 1 -17 14 31 o 26.80073 8.476459 37.77281       24.90200 16.98000       62.14334 41.75031       27.17962 28.92377 12.36705 28.05407 8.853401 0.8696938      15.20943 
1 1 1 -17 14 32 o 33.24237 5.694710 57.39616       17.86354 42.63704       22.86584 80.51246       28.61647 28.12986 7.952540 38.69543 7.824529 -10.56557      11.15644 
1 1 1 -17 14 33 o 40.71729 5.013251 84.65299       19.55906 105.1774       25.94523 57.63369       29.76865 45.06242 6.033643 32.26922 9.056790 12.79321       10.88257 
1 1 1 -17 14 34 f 26.94246 6.936770 39.05890       18.40263 38.04645       23.54623 40.64799       29.49902 26.59959 8.217317 27.65169 9.260229 -1.052101      12.38047 
1 1 1 -17 14 35 o 53.53503 4.986839 146.2647       25.83126 175.4914       30.68231 75.13000       47.86735 58.46787 5.423035 35.59734 11.79293 22.87053       12.98008 
1 1 1 -17 14 36 o 51.90031 5.041164 138.1618       25.28762 130.1122       29.34232 161.4000       49.85487 49.80761 6.148981 52.92631 9.989549 -3.118698      11.73035 
1 1 1 -17 14 37 o 49.95281 5.295036 129.2372       25.49638 135.2439       29.79301 112.8000       49.28421 50.65150 6.134018 42.51529 11.54680 8.136215       13.07497 
1 1 1 -17 14 38 o 55.18711 5.130786 157.3358       27.39837 166.5851       32.51779 134.7000       50.87017 56.27269 5.995836 46.60854 11.27447 9.664154       12.76964 
1 1 1 -17 14 39 o 26.50484 7.579289 39.40295       20.65169 37.61468       27.41346 41.74963       31.40321 26.03293 8.925101 27.24726 9.541367 -1.214323      13.06503 
1 1 1 -17 14 40 o 14.23857 6.475732 -8.490976      19.75107 -14.01408      26.27126 -1.310797      29.95415 15.82892 7.298823 18.67807 8.272675 -2.849158      11.03222 
1 1 1 -17 14 41 o 31.43168 8.539404 57.74569       26.94975 51.12000       32.93159 71.18000       46.89263 29.29655 9.783707 33.25035 11.65821 -3.953793      15.21955 
1 1 1 -17 14 42 o 16.59915 7.593762 -10.74950      27.67631 -25.65000      57.66710 -6.290272      31.54695 22.06697 10.38449 18.29186 8.265179 3.775108       13.27218 
1 1 1 -17 14 43 o 15.47755 6.994131 -6.567932      22.59587 -18.67000      33.02562 4.083343       30.98289 17.18670 8.013395 19.51582 8.536381 -2.329119      11.70830 
1 1 1 -17 14 44 o 28.70028 7.982329 48.19496       23.23702 47.98652       32.63869 48.40920       33.09018 28.12812 9.734739 28.22284 9.800012 -0.9471321E-01 13.81323 
1 1 1 -17 14 45 o 19.30851 7.663901 15.65185       21.60042 28.48465       30.86018 3.326118       30.24433 23.53577 9.216030 19.02550 8.374393 4.510273       12.45254 
1 1 1 -17 14 46 o 19.64485 7.690662 17.40458       21.48594 26.17225       32.08482 10.27596       28.93078 23.11911 9.285338 19.74675 8.440561 3.372364       12.54833 
1 1 1 -17 14 47 o 24.50539 8.071206 35.08164       22.43239 34.39380       33.23613 35.65715       30.40143 24.80195 9.605891 24.88501 9.291999 -0.8306313E-01 13.36467 
1 1 1 -17 14 48 o 24.43403 8.109719 35.09243       22.63365 39.07343       32.98356 31.54955       31.11567 25.63542 9.656276 23.95780 9.290175 1.677614       13.39966 
1 1 1 -17 14 49 o 53.56599 4.940765 151.3671       25.61362 145.6717       37.19307 156.5047       35.32532 49.95836 7.865632 52.62864 7.033284 -2.670277      10.55155 
1 1 1 -17 14 50 o 21.44277 8.035249 24.33343       22.77533 6.146646       32.84609 41.17493       31.60794 19.78781 8.717892 25.96833 9.514433 -6.180529      12.90450 
1 1 1 -17 14 51 o 36.82005 7.026869 77.81950       24.40154 105.5735       35.23340 52.23616       33.82750 41.19559 8.990803 28.28971 9.903073 12.90589       13.37555 
1 1 1 -17 14 52 o 24.24522 9.062307 34.47828       28.93179 39.90125       35.01538 22.81000       51.36219 25.63494 9.878046 24.43158 10.82625 1.203365       14.65549 
1 1 1 -17 14 53 o 22.05503 8.550326 26.33416       26.35235 107.5000       49.52687 -5.719546      31.12385 37.39137 11.96894 17.61634 8.056745 19.77503       14.42798 
1 1 1 -17 14 54 o 22.32611 8.176763 29.09994       23.34142 -1.117725      35.12207 53.00343       31.23780 18.89411 8.609505 28.09371 9.529501 -9.199602      12.84270 
1 1 1 -17 14 55 o 24.02421 8.256207 35.96741       23.46233 29.64857       34.98487 41.13238       31.62973 23.05108 9.528987 25.11547 9.456980 -2.064398      13.42520 
1 1 1 -17 15 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 2  o 143.9664 3.892296 1018.241       54.79924 992.0000       96.45696 1030.747       66.58920 141.5011 6.985738 144.7219 4.706970 -3.220810      8.423545 
1 1 1 -17 15 3  o 62.46377 4.292163 192.5713       26.08331 134.6000       38.30297 242.7000       35.61795 51.55684 7.836334 70.03139 5.233863 -18.47454      9.423452 
1 1 1 -17 15 4  o 173.0073 5.418048 1475.265       91.63847 1506.000       132.3966 1447.000       126.9666 174.1541 7.786395 170.7554 7.615580 3.398773       10.89151 
1 1 1 -17 15 5  o 63.30190 5.100874 198.4522       31.33846 99.41000       62.51143 231.7000       36.21855 44.01453 13.34977 68.37700 5.456706 -24.36247      14.42193 
1 1 1 -17 15 6  o 90.78641 4.030168 405.5911       35.72452 0.000000       0.000000 405.5911       35.72452 ?        ?        90.78641 4.030168 ?              ?        
1 1 1 -17 15 7  o 120.4718 3.829114 713.3303       45.09601 539.7000       84.56548 782.3271       53.30833 103.8826 8.387835 126.0972 4.325408 -22.21459      9.437421 
1 1 1 -17 15 8  o 24.37453 6.790672 30.23193       16.80153 -31.37000      52.45008 37.27594       17.73614 23.08268 10.51927 26.93755 6.742922 -3.854866      12.49488 
1 1 1 -17 15 9  o 81.14716 3.703725 323.9719       29.34078 180.6000       63.58117 362.7646       33.07286 58.92413 11.43629 85.84844 3.946357 -26.92431      12.09804 
1 1 1 -17 15 10 o 101.7487 3.687530 509.0104       36.66500 367.0000       71.97607 558.7748       42.60763 85.38956 8.734385 106.5577 4.092650 -21.16810      9.645687 
1 1 1 -17 15 11 o 114.4693 3.159713 643.3936       35.36937 623.4941       51.93742 660.6035       48.30010 112.4549 4.728967 115.8366 4.267160 -3.381699      6.369598 
1 1 1 -17 15 12 o 22.76653 6.389439 26.35159       14.81653 28.49036       23.61628 24.96329       19.02706 24.65383 8.285925 22.80657 7.428850 1.847260       11.12854 
1 1 1 -17 15 13 o 53.41313 3.551205 140.7331       18.46105 134.1349       27.65638 146.0360       24.79338 51.84309 5.535571 54.25565 4.715360 -2.412560      7.271668 
1 1 1 -17 15 14 o 132.5808 3.746001 864.5713       48.56453 995.2000       89.96738 810.8561       57.69183 141.5595 6.510346 128.2289 4.603918 13.33063       7.973749 
1 1 1 -17 15 15 o 93.78532 3.084834 432.2545       28.28014 414.9082       41.44238 447.3715       38.68787 91.64303 4.635019 95.25417 4.159421 -3.611137      6.227695 
1 1 1 -17 15 16 o 12.32182 5.555894 -7.262053      14.16774 -11.24616      21.06745 -3.972588      19.14296 14.91423 6.745173 15.33496 6.708725 -0.4207306     9.513377 
1 1 1 -17 15 17 o 167.4953 3.793902 1380.353       62.20066 1399.071       90.52806 1363.615       85.60802 168.0462 5.511070 165.9853 5.275827 2.060959       7.629302 
1 1 1 -17 15 18 o 38.91561 4.585129 75.75362       17.13067 70.26309       24.72017 80.82639       23.76113 36.92651 7.097017 39.85782 6.299507 -2.931316      9.489544 
1 1 1 -17 15 19 o 113.1656 3.241041 630.1730       35.86389 651.4821       52.98943 612.1610       48.71780 114.7172 4.729192 111.2602 4.482616 3.456932       6.516065 
1 1 1 -17 15 20 o 71.43093 3.330754 251.5935       23.22404 253.1887       33.40594 250.1014       32.30901 71.37091 4.809944 70.96212 4.677561 0.4087906      6.709332 
1 1 1 -17 15 21 o 39.73241 4.482685 79.03297       17.12970 88.34308       23.84226 69.09998       24.62690 41.68878 6.016712 36.49986 7.148942 5.188923       9.343885 
1 1 1 -17 15 22 o 88.35790 3.202727 384.8373       27.65365 360.5940       39.07032 409.1748       39.14613 85.17167 4.704745 90.82466 4.416546 -5.652992      6.452945 
1 1 1 -17 15 23 o 48.49387 3.943166 116.9408       18.55570 121.1183       25.39860 112.1586       27.17479 49.03289 5.380218 46.98454 6.049080 2.048355       8.095562 
1 1 1 -17 15 24 f 115.6079 4.947506 666.1246       55.85662 630.0000       84.55031 694.1000       74.40505 110.9268 7.837503 117.2509 6.508599 -6.324127      10.18766 
1 1 1 -17 15 25 o 108.7735 3.803330 586.0097       40.43194 617.8873       51.25586 533.5000       65.78397 111.3455 4.713550 102.5657 6.587402 8.779884       8.100087 
1 1 1 -17 15 26 o 103.2265 3.267903 526.4843       32.97761 491.5782       46.16830 562.8459       47.12105 99.21201 4.768115 106.2727 4.540347 -7.060692      6.584047 
1 1 1 -17 15 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 15 28 o 42.71795 6.918441 95.25240       27.93986 0.000000       0.000000 95.25240       27.93986 ?        ?        42.71795 6.918441 ?              ?        
1 1 1 -17 15 29 o 64.39318 4.704719 208.3097       29.44913 166.9000       66.61733 218.3675       32.83130 53.35501 12.89929 65.77539 5.140186 -12.42038      13.88571 
1 1 1 -17 15 30 o 49.07020 5.807903 123.4081       27.35594 69.77000       64.78703 135.0462       30.17813 36.27263 13.56046 51.22857 6.140513 -14.95594      14.88596 
1 1 1 -17 15 31 o 54.43418 5.398517 150.9003       28.38564 109.3000       65.59552 160.4853       31.48643 42.54249 13.78872 55.97387 5.832326 -13.43138      14.97147 
1 1 1 -17 15 32 o 39.94911 6.984261 84.49816       26.31694 135.2000       65.06430 74.58082       28.77588 46.91950 13.46458 37.00843 8.163214 9.911068       15.74589 
1 1 1 -17 15 33 o 57.89046 4.095248 168.1943       23.05585 186.6286       32.10664 148.5672       33.12919 60.41690 5.488982 53.40610 6.469155 7.010807       8.484037 
1 1 1 -17 15 34 o 52.25280 4.244758 137.7733       21.52363 142.9933       28.99859 131.3698       32.11786 52.61095 5.723251 49.90326 6.747997 2.707691       8.848224 
1 1 1 -17 15 35 o 15.32544 6.521745 2.018934       17.13704 -20.32554      21.53215 40.62954       28.30450 13.46753 6.340099 27.28849 9.069302 -13.82096      11.06567 
1 1 1 -17 15 36 o 50.90586 4.479633 132.0021       22.09370 136.4266       29.34071 126.2080       33.57631 50.99573 5.992223 48.24585 7.341129 2.749874       9.476229 
1 1 1 -17 15 37 o 43.74372 5.848960 100.8720       24.41679 109.8056       28.40501 75.59000       47.78455 45.24094 6.609488 34.71446 11.78607 10.52648       13.51284 
1 1 1 -17 15 38 o 64.80855 4.679266 215.1357       29.48371 234.4760       35.37058 171.1000       53.37194 67.16746 5.426086 53.15660 10.62938 14.01086       11.93424 
1 1 1 -17 15 39 o 58.66708 5.143374 178.5271       29.23732 208.0933       35.49187 116.1000       51.57250 62.87572 5.833381 42.07783 11.95931 20.79789       13.30615 
1 1 1 -17 15 40 o 49.67844 6.850645 134.3092       32.42648 134.3092       32.42648 0.000000       0.000000 49.67844 6.850645 ?        ?        ?              ?        
1 1 1 -17 15 41 o 21.34250 8.562230 18.46504       27.25006 53.51000       57.74425 8.424581       30.90814 30.33707 12.35782 20.29563 8.700781 10.04144       15.11355 
1 1 1 -17 15 42 o 21.58681 7.991605 23.42360       22.39647 45.82000       31.46993 0.4385201      31.88083 27.78977 9.561440 19.24381 8.528333 8.545952       12.81224 
1 1 1 -17 15 43 o 18.18871 7.480966 10.37791       21.41776 12.02008       29.01693 8.412430       31.74517 20.30933 8.557066 20.30610 8.762760 0.3229141E-02  12.24783 
1 1 1 -17 15 44 o 16.92913 7.205875 5.363455       20.92944 19.49841       28.78606 -10.48846      30.48428 21.52496 8.741193 17.28236 7.929941 4.242599       11.80222 
1 1 1 -17 15 45 o 18.66942 7.473423 13.91837       20.71309 5.894695       29.38516 21.84188       29.20116 19.16479 8.349357 21.92966 8.840511 -2.764870      12.16003 
1 1 1 -17 15 46 o 32.21698 7.121191 59.64021       21.85848 62.12394       31.88694 57.43845       30.02238 31.18566 9.549710 30.19345 9.270126 0.9922104      13.30910 
1 1 1 -17 15 47 o 23.13506 7.918030 30.51322       21.57379 -1.063581      30.14354 63.67339       30.89005 18.26806 8.181244 31.73934 9.327458 -13.47128      12.40702 
1 1 1 -17 15 48 f 42.87435 5.916851 100.2493       24.16971 95.38501       34.36315 105.0119       34.00198 39.14969 9.134958 41.64271 8.625747 -2.493023      12.56388 
1 1 1 -17 15 49 o 22.83960 8.067819 29.66990       22.48727 15.85644       31.97150 43.19394       31.63478 21.10697 8.941994 26.42843 9.542640 -5.321459      13.07751 
1 1 1 -17 15 50 o 32.51391 7.565161 62.29368       23.62214 97.06514       33.70684 28.73351       33.11454 39.60450 8.911082 23.47774 9.431851 16.12676       12.97564 
1 1 1 -17 15 51 o 25.49114 8.963763 39.88433       27.73553 37.34298       33.05489 45.93000       50.98298 25.02420 9.609216 27.19542 11.39321 -2.171219      14.90444 
1 1 1 -17 15 52 o 26.97809 8.695552 45.64669       26.10934 47.56000       43.37636 44.55961       32.69584 27.03893 10.81792 26.41578 9.677041 0.6231422      14.51456 
1 1 1 -17 15 53 o 13.37700 6.357832 -20.08855      22.64773 -18.98987      32.62635 -21.11027      31.46280 16.46947 7.768972 15.95956 7.558522 0.5099192      10.83920 
1 1 1 -17 15 54 o 28.68450 8.143215 51.91100       23.92490 48.52092       34.54671 55.03540       33.16538 26.65725 9.914739 28.18855 9.809790 -1.531298      13.94755 
1 1 1 -17 16 1  o 145.7307 4.867658 1046.157       69.33739 1107.000       103.0367 995.8000       93.73743 149.3853 7.066603 141.7444 6.775795 7.640839       9.790213 
1 1 1 -17 16 2  o 90.83112 4.279640 406.3609       37.94243 365.7000       54.07268 445.8000       53.25408 85.79185 6.487179 94.90999 5.759486 -9.118134      8.674973 
1 1 1 -17 16 3  o 87.32940 3.613657 375.0059       30.82296 260.8000       68.44939 404.0539       34.52098 71.52271 10.05452 90.61995 3.900960 -19.09724      10.78475 
1 1 1 -17 16 4  o 48.32504 3.682059 115.3127       17.28571 77.46965       29.44894 135.2045       21.35073 38.80476 8.018479 52.28558 4.207303 -13.48083      9.055243 
1 1 1 -17 16 5  o 119.5213 3.249839 701.4068       37.98483 661.4680       56.99832 733.3154       50.94694 115.8007 5.040645 122.0703 4.270428 -6.269562      6.606411 
1 1 1 -17 16 6  o 145.5932 4.749540 1044.172       67.59542 0.000000       0.000000 1044.172       67.59542 ?        ?        145.5932 4.749540 ?              ?        
1 1 1 -17 16 7  o 53.84289 4.092278 143.2823       21.40596 60.23000       59.63725 155.5648       22.93425 36.70728 13.12088 56.10095 4.207101 -19.39367      13.77887 
1 1 1 -17 16 8  o 15.66758 6.441085 3.886070       15.86786 -116.9000      56.51705 14.22210       16.53286 18.23107 8.975302 18.82994 6.883980 -0.5988750     11.31129 
1 1 1 -17 16 9  o 70.81530 3.706796 246.9874       25.60456 161.4000       56.28382 269.3219       28.75194 55.72515 10.70772 73.92078 3.988465 -18.19563      11.42642 
1 1 1 -17 16 10 o 40.75873 4.831067 82.94817       18.89955 90.09000       50.20272 81.76885       20.40038 41.54512 11.79659 40.38457 5.287684 1.160542       12.92746 
1 1 1 -17 16 11 o 145.0757 4.057445 1035.741       57.56081 871.6000       100.0526 1116.944       70.37302 132.0915 7.772686 150.5010 4.783133 -18.40948      9.126501 
1 1 1 -17 16 12 o 97.77760 3.113562 469.7553       29.76111 421.7661       43.93413 510.4503       40.45762 92.37211 4.876364 101.7900 4.068785 -9.417931      6.350901 
1 1 1 -17 16 13 o 31.58667 5.238882 50.54097       15.63029 59.44468       24.87966 44.73558       20.08975 33.87742 7.680604 29.41891 7.065557 4.458508       10.43618 
1 1 1 -17 16 14 o 78.40318 3.112505 302.3190       23.83890 289.9264       35.89509 312.0982       31.88639 76.51439 4.817209 79.52076 4.110504 -3.006371      6.332593 
1 1 1 -17 16 15 o 59.53213 3.388425 174.7342       19.66339 153.3152       29.57211 191.7097       26.32648 55.39661 5.527429 62.22396 4.349835 -6.827354      7.033742 
1 1 1 -17 16 16 o 53.81688 3.624883 143.1169       18.98358 125.7840       28.65663 156.6715       25.34163 50.00597 5.972547 56.15241 4.652346 -6.146439      7.570710 
1 1 1 -17 16 17 o 124.4788 3.328099 762.4812       40.51428 708.4449       57.90130 814.3149       56.70899 119.5860 4.957290 128.3521 4.520862 -8.766098      6.709167 
1 1 1 -17 16 18 o 79.24348 3.177665 309.2576       24.59781 315.8981       36.37427 303.6620       33.39009 79.80383 4.677052 78.30368 4.373797 1.500145       6.403509 
1 1 1 -17 16 19 o 91.51598 3.151424 412.4221       28.18782 400.6348       41.22159 422.7746       38.63155 89.85880 4.702971 92.42092 4.282009 -2.562126      6.360309 
1 1 1 -17 16 20 o 41.52917 4.408976 86.22472       17.64891 116.7160       25.66442 58.86839       24.30932 48.13139 5.548944 33.53019 7.584853 14.60121       9.397914 
1 1 1 -17 16 21 o 40.69017 4.463496 82.92988       17.48605 105.9035       25.18749 61.55611       24.29468 45.73493 5.753424 34.28506 7.452501 11.44987       9.414970 
1 1 1 -17 16 22 o 45.25327 4.198924 102.1809       18.38706 122.3555       26.03360 82.10022       25.97297 49.24518 5.494369 39.83791 6.911138 9.407276       8.829039 
1 1 1 -17 16 23 o 68.94321 3.835001 235.6963       25.77795 216.8709       31.63461 272.9000       44.47157 65.83668 4.945086 73.44482 6.245247 -7.608147      7.965990 
1 1 1 -17 16 24 o 66.27510 3.475399 217.5235       22.46679 211.8742       31.15937 223.6407       32.42402 65.02051 4.932698 66.79126 4.995728 -1.770752      7.020598 
1 1 1 -17 16 25 o 148.3466 4.248610 1093.641       61.62872 991.9000       109.0153 1141.428       74.71321 138.5533 8.073276 151.0786 5.059425 -12.52533      9.527621 
1 1 1 -17 16 26 o 95.59296 4.585968 456.3134       42.78530 0.000000       0.000000 456.3134       42.78530 ?        ?        95.59296 4.585968 ?              ?        
1 1 1 -17 16 27 o 81.13519 4.741910 329.8929       37.49485 0.000000       0.000000 329.8929       37.49485 ?        ?        81.13519 4.741910 ?              ?        
1 1 1 -17 16 28 o 96.26035 4.089931 461.6565       38.44844 336.9000       75.24124 505.7461       44.72936 78.80124 9.978118 100.5478 4.556634 -21.74653      10.96931 
1 1 1 -17 16 29 o 73.93966 4.446302 273.9194       32.03107 105.9000       66.54583 324.5861       36.54285 42.14818 13.90238 80.41874 4.662352 -38.27056      14.66334 
1 1 1 -17 16 30 o 28.72941 8.266989 44.57044       24.49570 75.95000       58.76006 37.97004       26.94906 36.77295 13.03666 26.95392 8.844936 9.819027       15.75397 
1 1 1 -17 16 31 o 67.52795 4.682152 229.8508       30.75655 195.7000       68.68023 238.4175       34.39858 57.43097 12.56737 68.56826 5.163132 -11.13729      13.58664 
1 1 1 -17 16 32 o 79.09258 4.376265 314.2342       33.74810 336.0000       74.61961 308.6372       37.83920 77.79398 10.03279 78.09074 4.976243 -0.2967529     11.19910 
1 1 1 -17 16 33 o 17.03414 7.496059 -3.037343      24.21927 -41.54000      60.59802 4.282146       26.42126 22.60880 10.64122 18.99852 8.091809 3.610273       13.36835 
1 1 1 -17 16 34 f 38.35358 7.493257 80.11619       27.12167 9.471000       63.92798 95.62272       29.95071 27.37596 12.10717 41.94424 7.573696 -14.56828      14.28091 
1 1 1 -17 16 35 o 60.68453 4.083066 185.9457       24.11212 201.9381       34.67233 170.9679       33.55451 62.33918 5.746833 57.11712 6.095869 5.222054       8.377690 
1 1 1 -17 16 36 o 47.95340 4.670933 117.9412       21.64694 142.0452       29.68408 90.56313       31.63583 51.96766 5.942290 40.01594 8.347310 11.95173       10.24638 
1 1 1 -17 16 37 o 34.74039 6.022862 64.54971       19.73874 56.55605       26.67212 74.22845       29.34908 31.34223 8.486977 35.96893 8.475965 -4.626698      11.99461 
1 1 1 -17 16 38 o 52.06939 4.514610 139.0356       22.78244 122.8552       30.87714 158.3706       33.75308 47.57392 6.826014 54.35306 6.471213 -6.779137      9.405906 
1 1 1 -17 16 39 o 20.46992 8.225696 15.98383       25.19376 15.98383       25.19376 0.000000       0.000000 20.46992 8.225696 ?        ?        ?              ?        
1 1 1 -17 16 40 o 16.65436 7.840214 -24.58904      32.92416 8.057000       53.27681 -44.76000      41.87803 24.43427 10.91437 17.36160 8.356309 7.072670       13.74596 
1 1 1 -17 16 41 o 21.90472 8.257241 23.70625       24.12854 37.80000       29.28655 -6.075000      42.57223 25.80992 9.198134 20.87045 9.497916 4.939465       13.22180 
1 1 1 -17 16 42 o 16.38719 7.258218 -1.635133      23.05971 -4.729919      27.73841 5.289000       41.49053 17.33889 7.799865 21.83559 9.700154 -4.496700      12.44712 
1 1 1 -17 16 43 o 15.01692 6.994887 -15.65651      25.06616 4.444000       31.79410 -48.67000      40.74635 19.63239 8.615720 16.57942 8.043252 3.052967       11.78662 
1 1 1 -17 16 44 o 28.80730 7.586689 48.56120       21.68450 66.81399       29.88435 28.26407       31.51349 32.86535 9.018385 23.49665 9.278846 9.368698       12.93941 
1 1 1 -17 16 45 o 35.25473 6.581769 69.62853       21.87747 98.35231       31.57428 43.10416       30.34136 40.73590 8.202687 26.56727 9.372587 14.16863       12.45510 
1 1 1 -17 16 46 o 44.74844 5.480989 107.3542       23.50663 144.5288       34.00867 73.34706       32.52756 50.66031 7.048953 34.00743 9.438866 16.65287       11.78049 
1 1 1 -17 16 47 o 30.15435 7.672050 53.85911       22.69611 53.35537       32.48523 54.33948       31.72264 28.80793 9.718178 29.10401 9.598670 -0.2960777     13.65934 
1 1 1 -17 16 48 o 24.19804 8.107672 34.50850       22.61259 39.41184       32.43860 29.87352       31.53845 25.58649 9.589231 23.56769 9.290070 2.018799       13.35136 
1 1 1 -17 16 49 o 18.81548 7.699028 13.43499       22.53631 21.07922       32.54411 6.391898       31.23829 22.03634 9.157238 19.45858 8.539742 2.577761       12.52127 
1 1 1 -17 16 50 o 33.69144 8.547905 70.24683       28.22964 76.94457       33.79689 54.79000       51.34201 34.26718 9.661647 28.43783 11.62667 5.829348       15.11711 
1 1 1 -17 16 51 o 40.90115 6.431759 93.69525       24.90056 62.05083       35.45188 124.5068       34.98223 30.31956 10.15164 45.65810 8.125360 -15.33854      13.00297 
1 1 1 -17 16 52 o 23.97912 8.656828 34.66734       26.03294 42.68000       42.60947 29.89494       32.88412 26.06997 10.61704 23.33183 9.390003 2.738146       14.17370 
1 1 1 -17 16 53 o 15.66351 7.031939 -1.954487      22.41827 11.51860       32.60854 -14.03017      30.87120 20.05012 8.764062 16.45377 7.696573 3.596348       11.66388 
1 1 1 -17 16 54 o 23.66116 8.175821 34.66132       23.01850 33.01385       33.42004 36.14827       31.75026 23.52339 9.466521 24.05960 9.369091 -0.5362072     13.31897 
1 1 1 -17 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 17 2  o 73.32508 3.971946 264.9782       28.40127 212.4593       36.47112 345.9000       45.27142 65.35970 5.759624 83.55311 5.567240 -18.19341      8.010457 
1 1 1 -17 17 3  o 76.64341 5.154121 290.7670       38.44176 290.7670       38.44176 0.000000       0.000000 76.64341 5.154121 ?        ?        ?              ?        
1 1 1 -17 17 4  o 81.87428 3.144234 329.4137       25.15131 276.8015       39.98247 363.8667       32.35486 74.70770 5.506309 85.97052 3.854692 -11.26283      6.721465 
1 1 1 -17 17 5  o 81.26249 3.128116 324.5173       24.83518 287.5353       39.47210 348.7507       31.95234 76.17657 5.327320 84.15478 3.889500 -7.978210      6.596101 
1 1 1 -17 17 6  o 116.8342 3.535955 670.9706       40.39082 668.0000       72.61362 672.3015       48.60393 116.0000 6.420238 116.8365 4.257096 -0.8364487     7.703397 
1 1 1 -17 17 7  o 194.4463 4.736840 1862.196       90.15601 1825.000       156.9485 1880.514       110.1407 191.0261 8.414438 195.0180 5.776245 -3.991974      10.20626 
1 1 1 -17 17 8  o 66.83841 3.686896 220.1674       24.02744 159.9000       54.91234 234.4385       26.72123 55.43407 10.50454 68.93890 3.976793 -13.50482      11.23211 
1 1 1 -17 17 9  o 60.28381 3.870593 179.3976       22.71871 61.01000       52.84836 206.2354       25.16239 35.87098 12.38852 64.63578 3.996706 -28.76480      13.01726 
1 1 1 -17 17 10 o 50.78396 4.159305 127.7538       20.49440 105.4000       51.57910 131.9446       22.33304 44.62825 11.67555 51.56881 4.468456 -6.940567      12.50142 
1 1 1 -17 17 11 o 70.98200 3.680019 248.3644       25.48116 202.8000       55.71752 260.4144       28.65310 62.83748 9.342540 72.63479 4.046136 -9.797306      10.18107 
1 1 1 -17 17 12 o 102.3474 3.642131 515.7009       36.42888 372.2000       68.00781 573.4435       43.13993 85.83485 8.193798 107.8502 4.093938 -22.01540      9.159620 
1 1 1 -17 17 13 f 15.25225 6.387927 2.088624       16.02006 58.74000       46.03810 -5.716100      17.08799 34.55626 11.56843 14.06808 6.238681 20.48818       13.14343 
1 1 1 -17 17 14 o 30.81461 5.329535 48.29571       15.49354 44.06435       24.63554 51.06444       19.92794 29.21093 8.253304 31.44993 6.679932 -2.238998      10.61784 
1 1 1 -17 17 15 o 115.3274 3.242132 654.3686       36.56271 629.0334       53.88945 675.9791       49.77075 112.6920 4.897139 116.9733 4.354519 -4.281265      6.553153 
1 1 1 -17 17 16 o 69.80574 3.262806 240.1571       22.23235 209.9089       33.40627 264.2057       29.78670 64.86635 5.307784 73.06604 4.182333 -8.199692      6.757550 
1 1 1 -17 17 17 o 55.38699 3.489264 151.6269       18.82067 131.9854       27.81232 168.2194       25.56266 51.23656 5.638740 58.16384 4.525594 -6.927284      7.230241 
1 1 1 -17 17 18 o 52.85198 3.670179 138.3308       18.86898 135.0563       28.28612 140.9562       25.32783 51.79979 5.671372 53.10739 4.928566 -1.307598      7.513670 
1 1 1 -17 17 19 o 99.31087 3.198169 486.0013       31.04829 470.7750       45.93833 498.8058       42.12669 97.31445 4.837884 100.3382 4.299250 -3.023743      6.472147 
1 1 1 -17 17 20 o 26.96100 6.176224 37.80198       15.94837 33.94069       23.22379 41.24808       21.93974 25.89772 8.185214 28.07362 7.736598 -2.175905      11.26289 
1 1 1 -17 17 21 o 61.98459 4.087386 190.8930       24.66067 228.8036       32.37581 138.5000       38.06075 67.66868 4.921592 51.68265 7.763321 15.98603       9.191911 
1 1 1 -17 17 22 o 38.01835 5.482070 73.63312       19.81194 71.40237       24.78623 77.58000       32.96957 36.96917 7.107709 38.02102 8.999619 -1.051853      11.46790 
1 1 1 -17 17 23 o 60.26612 3.625572 180.2050       21.28840 200.3017       30.97324 162.2107       29.30840 63.15879 5.052198 56.70877 5.342989 6.450016       7.353383 
1 1 1 -17 17 24 o 18.01014 6.706346 13.01480       15.81456 -2.306191      21.71168 30.32995       23.08144 16.50291 7.183455 24.65565 8.189747 -8.152740      10.89376 
1 1 1 -17 17 25 o 74.28678 3.634546 273.8349       26.34800 245.8000       41.29041 293.0915       34.22077 69.49068 6.133277 76.55445 4.587861 -7.063774      7.659345 
1 1 1 -17 17 26 o 122.9285 3.768526 750.0435       45.29152 780.9000       77.16058 733.8236       55.94285 123.8358 6.387236 121.1067 4.728303 2.729073       7.946926 
1 1 1 -17 17 27 f 88.88414 3.316443 391.3565       28.80320 323.0023       39.87646 465.9228       41.64909 80.06631 5.114906 96.55400 4.418570 -16.48769      6.759144 
1 1 1 -17 17 28 f 39.36457 4.999178 78.93437       18.82854 50.96933       25.73767 111.1317       27.61668 30.65436 8.352210 46.36192 6.244217 -15.70756      10.42831 
1 1 1 -17 17 29 o 49.77411 4.261741 124.4845       20.56371 74.38682       27.90401 184.0306       30.42178 37.13152 7.919246 60.23452 5.211004 -23.10300      9.479928 
1 1 1 -17 17 30 o 54.93752 4.073663 151.3390       21.74999 93.75915       29.70926 217.8437       31.92880 41.88912 7.522207 65.58991 5.011180 -23.70079      9.038558 
1 1 1 -17 17 31 o 15.12982 6.936458 -13.63653      23.25857 22.90000       55.28305 -21.49452      25.63800 28.10294 11.82431 15.02794 7.024503 13.07500       13.75347 
1 1 1 -17 17 32 o 40.11258 6.864831 85.65771       25.98516 142.0000       63.23805 74.21188       28.50263 47.60613 13.14081 36.71247 8.144794 10.89367       15.46022 
1 1 1 -17 17 33 o 14.17148 6.677973 -22.68127      23.99231 -58.49000      60.80278 -16.07751      26.11106 21.33214 10.21518 15.75426 7.268747 5.577881       12.53733 
1 1 1 -17 17 34 o 15.17098 6.998320 -14.75920      24.18805 0.2238000      60.77057 -17.57966      26.36657 25.72058 11.55978 15.59469 7.233272 10.12590       13.63631 
1 1 1 -17 17 35 o 31.02929 8.421227 55.00587       26.22528 25.37000       62.54604 61.32752       28.88725 28.18548 12.23119 32.57404 8.837379 -4.388559      15.08977 
1 1 1 -17 17 36 o 39.40186 7.262284 85.42799       26.97722 -41.04000      61.94203 115.0318       29.96878 22.19664 10.53953 46.11824 6.846282 -23.92160      12.56794 
1 1 1 -17 17 37 o 19.35835 8.049073 10.23503       25.16489 40.55000       60.17148 3.808693       27.70408 29.25974 12.32496 18.87680 8.166098 10.38294       14.78478 
1 1 1 -17 17 38 o 62.28439 5.833775 204.6582       35.15212 204.6582       35.15212 0.000000       0.000000 62.28439 5.833775 ?        ?        ?              ?        
1 1 1 -17 17 39 f 18.43753 7.905661 5.276160       25.52586 -44.50000      54.29115 19.40212       28.92194 20.18530 9.662431 21.86969 8.804545 -1.684389      13.07221 
1 1 1 -17 17 40 o 33.49881 7.022394 62.78313       22.28878 37.01000       32.24968 86.35201       30.83978 25.82574 9.584388 38.46897 8.424073 -12.64322      12.76031 
1 1 1 -17 17 41 f 24.56816 8.310592 34.20025       23.75666 25.96843       28.82051 51.65000       41.96122 23.00148 8.934982 29.05151 10.90243 -6.050028      14.09599 
1 1 1 -17 17 42 o 23.01915 8.221857 28.85303       23.41247 39.35221       28.78407 8.327000       40.24638 25.99433 9.132357 21.93132 9.656655 4.063011       13.29101 
1 1 1 -17 17 43 o 34.31180 7.477161 67.92044       24.40111 56.19609       30.18058 90.05000       41.46386 30.03718 9.307281 36.68336 10.81358 -6.646177      14.26741 
1 1 1 -17 17 44 o 15.12850 6.987134 -11.80061      24.21579 -12.12000      31.65500 -11.35000      37.59976 17.29631 7.988434 18.84046 8.703272 -1.544149      11.81364 
1 1 1 -17 17 45 o 19.52823 7.910131 15.43135       23.50339 28.15896       28.49612 -11.65000      41.56689 23.02749 8.901088 19.59904 9.087634 3.428452       12.72063 
1 1 1 -17 17 46 o 12.36216 6.012698 -33.43511      23.16239 -24.95407      28.86870 -48.76000      38.80623 15.07053 7.167123 15.88625 7.739297 -0.8157187     10.54819 
1 1 1 -17 17 47 o 19.58131 7.698652 17.51050       21.60917 20.85296       30.54810 14.16283       30.57189 21.74229 8.937574 20.57536 8.731580 1.166927       12.49483 
1 1 1 -17 17 48 o 24.83145 8.087476 36.73873       22.55075 16.83749       31.96595 56.45582       31.81772 21.22865 8.964849 29.53057 9.605737 -8.301916      13.13920 
1 1 1 -17 17 49 o 41.11989 7.292762 97.57498       28.27811 101.0538       33.89555 89.61000       51.28856 40.47894 8.805833 34.23715 12.17545 6.241783       15.02612 
1 1 1 -17 17 50 o 32.08297 7.599648 61.24547       23.49622 37.25657       33.12520 85.53648       33.33313 24.95434 9.609840 36.51286 9.301877 -11.55852      13.37438 
1 1 1 -17 17 51 o 32.95510 8.311131 67.17251       26.80094 140.4000       45.33383 27.82780       33.22987 45.68093 10.37586 23.03026 9.377126 22.65067       13.98531 
1 1 1 -17 17 52 o 20.70561 7.965422 22.72136       22.74193 48.48174       32.49728 -2.002517      31.83679 27.00136 9.681648 18.13070 8.236373 8.870667       12.71110 
1 1 1 -17 17 53 o 43.78647 5.785640 106.5125       24.19070 142.4599       35.45298 75.19593       33.09068 48.66083 7.699225 33.08081 9.635276 15.58002       12.33356 
1 1 1 -17 18 1  o 70.04078 3.112489 241.2625       21.28525 219.5294       35.95329 252.9904       26.41114 66.43670 5.580239 71.64544 3.779474 -5.208740      6.739695 
1 1 1 -17 18 2  o 88.08880 4.879324 383.6418       41.90700 307.2000       70.18203 426.0000       52.24316 77.67171 9.423717 92.65388 5.789424 -14.98217      11.06001 
1 1 1 -17 18 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 18 4  o 77.56493 3.873319 296.5396       29.31424 286.3504       38.05949 311.4000       45.96320 76.01066 5.145762 79.11207 5.979832 -3.101410      7.889060 
1 1 1 -17 18 5  o 135.8267 4.038568 908.3536       53.63352 845.1240       65.33556 1039.000       93.91563 130.7716 5.114087 144.5490 6.655545 -13.77744      8.393459 
1 1 1 -17 18 6  o 124.1708 3.655161 758.5101       44.37714 736.9000       79.05042 768.4542       53.62409 121.6598 6.663654 124.8398 4.395200 -3.180031      7.982610 
1 1 1 -17 18 7  o 96.80465 3.350754 460.8957       31.70223 456.0000       57.36049 463.0488       38.04005 95.73421 6.153832 96.92705 4.018211 -1.192833      7.349535 
1 1 1 -17 18 8  o 12.64521 5.471858 -1.566579      12.44598 -25.79573      23.04672 8.408623       14.78771 13.80291 6.516705 16.44213 6.396492 -2.639220      9.131405 
1 1 1 -17 18 9  o 74.14664 3.614452 270.9501       26.15349 180.4000       56.30418 295.8628       29.53290 58.90071 10.13118 77.44383 3.908584 -18.54313      10.85900 
1 1 1 -17 18 10 o 97.20599 3.602640 465.2889       34.21906 341.6000       65.93637 510.8817       40.03203 82.11703 8.317839 101.7877 4.025905 -19.67066      9.240907 
1 1 1 -17 18 11 o 51.47789 4.194109 131.4257       20.95030 53.53000       50.61524 147.5302       23.01430 34.02451 12.09574 54.53475 4.347362 -20.51024      12.85327 
1 1 1 -17 18 12 o 179.7675 4.582959 1596.278       80.57662 1440.000       138.6026 1676.058       99.03063 168.9006 8.410118 183.8336 5.509710 -14.93301      10.05420 
1 1 1 -17 18 13 o 68.34818 3.805206 230.7708       25.35675 120.6000       57.92931 256.8822       28.20200 47.22225 12.38277 72.08627 4.012715 -24.86402      13.01671 
1 1 1 -17 18 14 o 50.28569 4.425273 125.8141       21.55968 15.89000       53.52592 147.1019       23.55496 28.37995 11.76426 54.39601 4.463154 -26.01605      12.58243 
1 1 1 -17 18 15 o 25.38664 6.139776 33.38881       15.08829 57.13590       24.29722 18.48336       19.24969 33.05731 7.659258 20.72396 7.448882 12.33335       10.68410 
1 1 1 -17 18 16 o 116.9128 3.255237 673.2073       37.21586 667.5978       55.18722 677.8860       50.40028 115.9721 4.872451 117.0122 4.408319 -1.040070      6.570697 
1 1 1 -17 18 17 o 59.14552 3.430879 172.9083       19.77722 178.2634       30.37177 168.9659       26.05931 59.67022 5.253626 58.23427 4.609269 1.435947       6.988988 
1 1 1 -17 18 18 o 45.90654 3.956147 104.8606       17.60353 122.8287       26.94814 91.48621       23.24962 49.31171 5.687122 42.45471 5.741843 6.857002       8.081592 
1 1 1 -17 18 19 o 86.03342 3.196074 365.1071       26.86796 384.5564       40.68828 350.0692       35.77768 87.88960 4.747232 83.95476 4.368752 3.934845       6.451527 
1 1 1 -17 18 20 o 82.90126 3.710633 340.2152       30.03400 346.4583       39.25411 331.4000       46.64457 83.33360 4.833106 81.11326 5.915602 2.220345       7.638930 
1 1 1 -17 18 21 o 30.59522 6.565984 48.97095       19.07486 40.09174       24.30844 63.20000       30.77216 27.69107 8.308684 34.28131 9.042110 -6.590242      12.27982 
1 1 1 -17 18 22 o 78.07678 3.309734 301.4974       25.23684 316.4878       37.59950 289.2072       34.04518 79.52670 4.853284 76.09808 4.591993 3.428619       6.681375 
1 1 1 -17 18 23 o 15.63996 6.466670 4.133814       16.11648 9.222994       22.60143 -1.130840      22.98777 19.12132 7.752656 17.18335 7.436053 1.937969       10.74237 
1 1 1 -17 18 24 o 33.91647 5.776901 59.43473       18.49162 38.73000       27.58538 76.33104       24.91954 27.40282 8.946161 38.16400 6.925824 -10.76118      11.31374 
1 1 1 -17 18 25 o 53.95158 3.887526 145.2151       20.39210 137.8899       29.36330 152.0393       28.34140 51.93639 5.879269 54.75595 5.356339 -2.819557      7.953374 
1 1 1 -17 18 26 o 68.60319 3.486869 233.7155       23.33777 210.3217       33.94555 254.6841       32.13779 64.40164 5.435627 71.23591 4.634199 -6.834267      7.142957 
1 1 1 -17 18 27 o 74.95734 3.423407 278.9114       25.05133 267.1278       36.12110 289.8319       34.77320 72.72891 5.106419 75.94616 4.700743 -3.217247      6.940641 
1 1 1 -17 18 28 o 40.80296 4.823831 84.62564       18.89382 49.26817       26.53220 121.0016       26.91163 30.07872 8.587518 48.53728 5.777731 -18.45856      10.35025 
1 1 1 -17 18 29 o 53.98476 4.034569 146.1195       21.16519 172.9365       30.54542 121.3531       29.35429 58.22072 5.422309 48.30564 6.362793 9.915081       8.359819 
1 1 1 -17 18 30 o 20.04155 7.099181 18.84756       17.42163 5.115284       23.53048 35.50792       25.91801 18.33974 7.715235 26.05096 8.679106 -7.711218      11.61257 
1 1 1 -17 18 31 o 57.83867 3.919535 167.8665       22.05901 181.3736       31.26074 154.4705       31.13197 59.47542 5.429584 54.61901 5.917546 4.856411       8.031048 
1 1 1 -17 18 32 o 22.31305 7.309073 25.89054       18.40606 -27.27873      24.71446 92.10914       27.58105 13.93733 6.629121 41.41996 7.055578 -27.48264      9.681241 
1 1 1 -17 18 33 o 21.79994 7.290088 24.59028       18.28308 41.00758       24.98252 5.657261       26.82842 27.17953 8.475352 19.18977 8.162920 7.989758       11.76711 
1 1 1 -17 18 34 o 24.47203 8.494189 31.86255       24.85817 10.83000       61.49352 35.97083       27.17771 26.54033 11.79856 25.73046 8.884134 0.8098736      14.76936 
1 1 1 -17 18 35 o 17.45954 7.590872 1.089692       24.18427 43.53000       58.18853 -7.772217      26.58960 29.73156 12.28980 16.84161 7.600994 12.88995       14.45041 
1 1 1 -17 18 36 o 52.05054 5.711743 142.5324       28.62301 84.11000       60.64396 159.2774       32.46686 35.39291 13.14151 54.74638 6.165791 -19.35347      14.51606 
1 1 1 -17 18 37 o 33.82892 12.89243 75.51000       59.20572 75.51000       59.20572 0.000000       0.000000 33.82892 12.89243 ?        ?        ?              ?        
1 1 1 -17 18 38 o 22.96632 8.447613 27.12134       24.95616 -23.38000      54.87884 40.28767       28.02114 21.84823 10.23346 26.52719 9.025167 -4.678959      13.64468 
1 1 1 -17 18 39 o 18.26645 8.072894 -0.2075015     28.37566 0.000000       0.000000 -0.2075015     28.37566 ?        ?        18.26645 8.072894 ?              ?        
1 1 1 -17 18 40 o 13.73834 6.554858 -25.90711      24.55258 -124.3000      53.46855 0.3839299      27.63888 15.77771 7.919134 18.09014 7.982388 -2.312434      11.24416 
1 1 1 -17 18 41 o 37.07114 6.159396 74.90556       21.56615 89.63184       30.13481 59.44495       30.87702 39.25667 8.110846 31.05457 9.374585 8.202099       12.39632 
1 1 1 -17 18 42 o 15.02738 6.659667 -1.960636      19.44004 -14.85285      26.13282 14.01319       29.08888 15.42678 7.171037 20.51760 8.601451 -5.090820      11.19860 
1 1 1 -17 18 43 o 11.96144 5.727869 -22.06977      19.11644 -25.33239      25.86894 -18.14474      28.37382 14.12113 6.734940 15.68223 7.349538 -1.561097      9.968707 
1 1 1 -17 18 44 o 21.71600 8.037239 25.26910       22.65021 34.36662       27.68966 6.871000       39.37699 24.35019 8.907828 21.18427 9.428014 3.165911       12.97061 
1 1 1 -17 18 45 o 16.19441 7.357976 -6.465538      25.42119 -14.49000      33.26488 4.800000       39.41432 17.40041 8.089197 20.95917 9.373063 -3.558762      12.38101 
1 1 1 -17 18 46 o 21.54464 8.313469 23.76865       24.82646 40.22063       29.99219 -12.04000      44.24794 25.72260 9.291084 19.99520 9.306982 5.727396       13.15082 
1 1 1 -17 18 47 o 31.51816 8.217088 60.43890       25.60648 80.97992       31.80624 22.60000       43.16886 35.89347 9.055037 23.61489 10.20466 12.27858       13.64290 
1 1 1 -17 18 48 o 41.33514 8.400535 103.2917       32.82841 103.2917       32.82841 0.000000       0.000000 41.33514 8.400535 ?        ?        ?              ?        
1 1 1 -17 18 49 o 20.70620 8.172308 20.94233       24.43305 29.06354       30.48825 6.364000       40.84846 23.12463 9.128304 21.10519 9.482107 2.019442       13.16193 
1 1 1 -17 18 50 o 34.98792 8.803181 76.94196       30.11863 142.5000       42.50006 10.80000       42.68892 47.26138 9.516636 21.87469 9.770524 25.38668       13.63926 
1 1 1 -17 18 51 o 27.25954 8.537562 46.97779       25.32170 70.09565       31.71168 6.305000       42.06274 32.51918 9.420945 21.05622 9.526184 11.46296       13.39785 
1 1 1 -17 18 52 o 21.48712 7.923489 26.49998       21.97859 12.81499       31.64281 39.25669       30.55078 20.01479 8.692509 24.79856 9.303499 -4.783766      12.73243 
1 1 1 -17 18 53 o 35.45778 6.946344 74.20592       23.24598 116.2397       33.86843 36.76702       31.96374 43.06706 8.335546 24.07493 9.393254 18.99213       12.55845 
1 1 1 -17 19 1  o 170.1691 5.460560 1433.661       90.83670 1700.000       146.6873 1268.000       115.6875 184.0395 8.163140 159.2376 7.442820 24.80182       11.04683 
1 1 1 -17 19 2  o 78.89754 3.061628 306.1248       23.59919 295.9083       38.51147 312.2679       29.86290 77.23158 5.123314 79.57677 3.845270 -2.345192      6.405814 
1 1 1 -17 19 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -17 19 4  o 83.19603 4.985889 342.9974       40.41608 342.9974       40.41608 0.000000       0.000000 83.19603 4.985889 ?        ?        ?              ?        
1 1 1 -17 19 5  o 13.43238 6.222600 -16.16908      19.42204 -51.31176      24.52211 42.98000       31.81372 12.01490 5.914450 29.52923 9.605119 -17.51433      11.28003 
1 1 1 -17 19 6  o 18.93710 7.601470 8.843988       21.49035 -33.86000      29.07347 60.28000       31.90776 15.32230 7.259408 33.99286 9.315054 -18.67056      11.80971 
1 1 1 -17 19 7  o 125.3012 3.668722 773.0701       44.94780 753.7000       80.04990 781.9890       54.31900 122.8634 6.681431 125.8525 4.416287 -2.989128      8.009065 
1 1 1 -17 19 8  o 88.11442 3.052041 381.8665       26.28375 354.8398       40.69017 401.2177       34.43071 84.59486 4.935483 90.18185 3.909792 -5.586990      6.296464 
1 1 1 -17 19 9  o 83.88915 3.086869 346.2587       25.30399 288.0725       38.13079 392.0467       33.82531 76.13069 5.147193 89.13647 3.886199 -13.00578      6.449507 
1 1 1 -17 19 10 f 65.82366 3.206672 213.5052       20.59843 193.8256       33.33181 225.6646       26.20022 62.28127 5.524843 67.55470 3.979894 -5.273430      6.809071 
1 1 1 -17 19 11 f 32.93677 5.470598 55.19473       17.01842 92.47000       49.95535 50.30064       18.10120 41.54987 11.75721 31.27323 6.132531 10.27664       13.26047 
1 1 1 -17 19 12 o 77.36339 3.632831 295.4283       27.43293 213.6000       60.24312 316.8354       30.81306 63.89980 9.955961 80.06359 3.943957 -16.16379      10.70869 
1 1 1 -17 19 13 o 27.92042 6.330180 40.42613       16.89966 -7.856000      50.12239 46.61897       17.95078 24.54440 10.79298 30.02095 6.309490 -5.476553      12.50193 
1 1 1 -17 19 14 o 20.13169 6.929466 18.68449       16.52964 35.30000       50.01772 16.64736       17.51365 30.44700 11.78628 19.71875 7.102841 10.72826       13.76106 
1 1 1 -17 19 15 o 32.29934 6.057814 53.72170       18.44870 63.99000       50.81171 52.16253       19.79988 35.54971 12.15208 31.69900 6.596285 3.850710       13.82693 
1 1 1 -17 19 16 o 103.6738 3.186208 529.7593       32.29485 504.9549       48.29861 549.8168       43.43172 100.7266 4.913561 105.3426 4.220625 -4.615982      6.477404 
1 1 1 -17 19 17 o 12.72652 5.654399 -4.785722      14.10337 -13.51340      22.11810 1.194117       18.30810 14.91139 6.809073 15.92437 6.757379 -1.012983      9.593000 
1 1 1 -17 19 18 o 98.41397 3.169582 477.7411       30.49286 467.8922       45.58990 485.7139       41.01831 96.89767 4.821872 98.92770 4.245861 -2.030022      6.424779 
1 1 1 -17 19 19 o 23.13929 7.089326 27.34180       17.57003 40.65585       23.81885 11.45000       26.02270 27.85011 8.192207 20.68934 8.343745 7.160769       11.69318 
1 1 1 -17 19 20 o 53.24447 4.296093 141.6401       22.20007 153.7907       29.84970 126.6000       33.20967 55.11238 5.611489 49.45992 7.059804 5.652470       9.018295 
1 1 1 -17 19 21 o 37.99459 4.754197 73.02296       17.29498 65.36932       25.32053 79.71667       23.67945 35.10412 7.590392 39.24907 6.382722 -4.144951      9.917318 
1 1 1 -17 19 22 o 101.0437 3.563975 505.8320       35.19408 515.8000       59.21256 500.3870       43.76323 100.9119 6.022062 100.1477 4.475699 0.7641830      7.503140 
1 1 1 -17 19 23 o 48.30640 4.455458 117.2160       20.82979 139.7000       33.07326 102.4343       26.81656 52.01205 6.648089 44.54351 6.328407 7.468544       9.178552 
1 1 1 -17 19 24 o 28.08525 6.416830 41.63814       17.25316 40.18896       24.94645 42.96687       23.88730 27.54549 8.448924 28.33715 8.166628 -0.7916603     11.75066 
1 1 1 -17 19 25 o 96.22113 3.338034 458.8306       31.39129 451.4344       46.47942 465.0339       42.56622 94.69667 5.032480 96.37154 4.525062 -1.674866      6.767720 
1 1 1 -17 19 26 o 52.35255 4.040689 137.2308       20.54603 131.6296       29.94973 142.2103       28.23866 50.51450 6.186140 52.78652 5.548151 -2.272022      8.309651 
1 1 1 -17 19 27 o 43.49224 4.607934 95.75608       19.31857 64.04885       27.29352 127.5894       27.34774 34.26367 8.239535 49.86773 5.705251 -15.60406      10.02197 
1 1 1 -17 19 28 o 52.41451 4.076175 137.8893       20.74843 140.8496       30.42171 135.3146       28.37093 52.21154 6.065415 51.29990 5.748800 0.9116402      8.356912 
1 1 1 -17 19 29 o 43.21476 4.655140 94.86760       19.38091 86.94687       27.81949 102.3372       27.01567 40.30532 7.321057 44.20810 6.431689 -3.902779      9.744973 
1 1 1 -17 19 30 o 64.43759 3.716723 207.7399       23.34313 218.4778       33.70319 197.8396       32.36198 65.35960 5.313923 62.14778 5.372606 3.211823       7.556631 
1 1 1 -17 19 31 f 47.07186 4.561604 112.7732       20.75456 123.3825       29.28474 102.0668       29.41849 48.43883 6.327615 43.58595 7.142722 4.852882       9.542389 
1 1 1 -17 19 32 o 22.05479 7.231074 25.47932       18.01354 10.04651       24.49320 43.66096       26.58517 19.36783 7.986496 27.93313 8.747888 -8.565302      11.84524 
1 1 1 -17 19 33 o 43.65227 4.922369 98.39785       20.66600 125.8805       29.96592 73.47095       28.53857 48.58594 6.461026 35.98588 8.274986 12.60006       10.49858 
1 1 1 -17 19 34 o 49.18907 4.514351 123.8670       21.49335 118.5145       30.43218 129.1943       30.36033 46.82669 6.841398 49.15817 6.466286 -2.331474      9.413691 
1 1 1 -17 19 35 o 16.85178 6.986511 6.840201       18.88172 21.68755       25.66403 -10.68034      27.87881 21.89375 8.451383 16.79483 7.659701 5.098917       11.40600 
1 1 1 -17 19 36 o 15.50597 6.900318 -3.716638      21.08857 6.158011       26.35573 -21.29000      35.15942 18.85837 8.058381 17.66625 8.247328 1.192116       11.53065 
1 1 1 -17 19 37 f 22.86091 7.368910 28.67609       18.75012 10.43923       25.68324 49.48840       27.43690 19.42407 8.108293 28.99453 8.854399 -9.570467      12.00603 
1 1 1 -17 19 38 o 44.83091 7.119817 111.2747       30.19969 0.000000       0.000000 111.2747       30.19969 ?        ?        44.83091 7.119817 ?              ?        
1 1 1 -17 19 39 o 26.83483 8.612515 42.19304       25.63185 25.33000       54.74846 46.92679       29.00726 26.20762 11.40740 28.02337 9.175381 -1.815752      14.63955 
1 1 1 -17 19 40 o 33.54916 8.071874 65.97955       26.18356 -4.728000      54.23385 87.46951       29.89891 22.90265 10.53386 38.72202 8.146917 -15.81936      13.31670 
1 1 1 -17 19 41 o 20.24443 8.220083 16.28743       25.45224 -1.717000      51.30969 22.16367       29.31296 22.55406 10.32612 22.09654 8.875002 0.4575253      13.61596 
1 1 1 -17 19 42 o 26.46900 8.593265 42.24949       25.47061 49.31000       52.10997 40.03314       29.19589 28.27143 11.65267 25.84300 9.186619 2.428434       14.83842 
1 1 1 -17 19 43 o 20.73969 8.257372 19.73187       25.14987 35.01000       50.81023 14.77402       28.94428 26.14283 11.18043 20.43602 8.574482 5.706814       14.08985 
1 1 1 -17 19 44 o 15.40852 7.100803 -10.82521      24.81313 -23.01000      50.73674 -6.994741      28.44719 20.34424 9.624226 16.99079 7.744573 3.353449       12.35330 
1 1 1 -17 19 45 o 25.53837 8.840118 39.60473       26.91590 -0.8597000     52.21152 54.25072       31.41153 22.30531 10.28671 29.02531 9.550487 -6.720009      14.03667 
1 1 1 -17 19 46 o 49.95494 5.779963 135.6158       27.74164 183.1000       46.79524 109.8842       34.44767 54.51694 9.089107 42.50414 8.575950 12.01281       12.49635 
1 1 1 -17 19 47 o 27.74052 8.706219 47.91590       26.31831 27.22553       31.15594 99.46000       49.17519 22.92233 9.169169 36.40128 11.94818 -13.47895      15.06096 
1 1 1 -17 19 48 o 15.79063 7.162281 -5.286092      23.96119 -13.02012      29.66501 9.231000       40.64261 16.44991 7.644477 21.41833 9.552301 -4.968426      12.23456 
1 1 1 -17 19 49 o 20.03423 8.389388 15.15806       27.62490 12.64000       37.54627 18.13000       40.79001 21.32258 9.359926 22.51796 9.823193 -1.195377      13.56847 
1 1 1 -17 19 50 o 29.33522 8.526677 54.39277       25.93813 96.16009       32.90982 -14.10000      42.14340 39.06279 8.816920 19.05621 8.939163 20.00657       12.55575 
1 1 1 -17 19 51 o 25.40452 8.631888 40.96937       25.63124 57.47261       32.71082 14.72000       41.25403 28.93581 9.751850 21.73841 9.663830 7.197399       13.72910 
1 1 1 -17 19 52 o 23.15613 8.575903 32.85901       25.79566 51.17871       32.68698 2.612000       42.00074 27.22656 9.715889 20.29764 9.311487 6.928919       13.45743 
1 1 1 -17 20 1  o 140.3938 3.425293 969.4332       47.07084 969.1221       70.57595 969.6825       63.17387 139.8412 5.164905 140.0571 4.614443 -0.2159882     6.925990 
1 1 1 -17 20 2  o 32.07420 4.593987 51.79971       14.01156 64.63869       28.60092 47.74527       16.07236 35.13829 8.424815 30.57468 5.575842 4.563606       10.10285 
1 1 1 -17 20 3  o 101.3358 3.136691 505.1662       31.07547 451.8072       47.44403 545.2580       41.12493 95.42114 5.098120 105.1169 4.004251 -9.695763      6.482657 
1 1 1 -17 20 4  o 57.21739 3.422791 161.6058       19.08204 113.4993       32.45695 187.0171       23.58953 47.10904 7.272663 61.48604 3.940291 -14.37700      8.271489 
1 1 1 -17 20 5  o 12.49191 5.953228 -25.83496      20.13049 -16.59000      27.91619 -35.85000      29.05561 16.84570 7.675935 15.09058 7.180530 1.755123       10.51095 
1 1 1 -17 20 6  o 29.70662 8.512552 45.71923       26.02441 45.71923       26.02441 0.000000       0.000000 29.70662 8.512552 ?        ?        ?              ?        
1 1 1 -17 20 7  o 73.70158 4.000766 268.5820       28.75377 263.3979       36.89630 276.6000       45.88601 72.72537 5.217788 74.22514 6.377486 -1.499771      8.240003 
1 1 1 -17 20 8  o 78.01294 3.948704 300.8348       30.05473 278.1443       38.10273 338.2000       48.89541 74.71968 5.243003 82.17732 6.122688 -7.457642      8.060794 
1 1 1 -17 20 9  o 86.74227 3.087016 370.4536       26.16874 357.2869       41.01755 379.4916       33.98337 84.78349 4.964283 87.62543 3.972474 -2.841942      6.358039 
1 1 1 -17 20 10 o 96.55548 3.109117 459.0264       29.34632 425.2745       44.61596 484.7638       38.96048 92.50721 4.945265 99.02952 4.027732 -6.522308      6.377952 
1 1 1 -17 20 11 o 54.93341 3.423084 149.1846       18.31457 142.5160       30.70141 152.8687       22.81949 53.13147 6.008697 55.46469 4.235260 -2.333225      7.351317 
1 1 1 -17 20 12 o 24.18583 6.599213 30.28249       16.05418 31.51000       49.88497 30.14066       16.95626 29.76495 11.69877 24.17378 6.853018 5.591171       13.55821 
1 1 1 -17 20 13 o 43.57181 4.601091 95.08141       19.32732 1.567000       52.48497 109.7517       20.78813 26.08599 11.26218 46.84776 4.592297 -20.76177      12.16248 
1 1 1 -17 20 14 o 152.2980 4.221225 1148.592       62.86660 1030.000       113.7772 1200.710       75.42616 141.9108 8.226191 155.3710 4.965967 -13.46019      9.608904 
1 1 1 -17 20 15 o 30.18733 6.443278 47.44150       18.45885 25.63000       54.10664 50.31447       19.63694 29.46045 11.97657 31.06021 6.658958 -1.599760      13.70328 
1 1 1 -17 20 16 o 38.32238 5.437313 74.69835       19.82400 35.64000       53.38461 80.94582       21.35066 30.72037 12.09369 39.87021 5.627152 -9.149843      13.33875 
1 1 1 -17 20 17 o 89.35480 3.201394 394.1949       27.95508 434.3998       43.82088 366.6045       36.30123 93.30354 4.814464 85.85392 4.333730 7.449623       6.477675 
1 1 1 -17 20 18 o 45.32816 4.570038 103.1913       20.00001 77.36765       27.77494 131.0000       28.82273 38.27086 7.681687 50.72748 5.915678 -12.45662      9.695543 
1 1 1 -17 20 19 o 51.99736 4.273690 135.1815       21.55975 134.5485       29.56906 135.9000       31.50293 51.35943 5.994392 51.48163 6.388632 -0.1222000     8.760556 
1 1 1 -17 20 20 o 19.10277 6.717124 16.66632       15.57472 7.485571       23.51663 23.83952       20.78703 19.02615 7.833593 22.39402 7.767836 -3.367870      11.03197 
1 1 1 -17 20 21 o 30.99820 6.034965 50.09267       17.65233 37.27000       28.00245 58.54840       22.73956 27.04299 9.021641 33.23319 7.199010 -6.190201      11.54191 
1 1 1 -17 20 22 o 31.02131 6.260303 50.45039       18.35297 82.09000       28.53054 28.11572       23.97090 39.26990 7.697705 24.05041 8.341582 15.21949       11.35062 
1 1 1 -17 20 23 o 95.29681 3.312675 449.8661       30.85336 459.3900       46.57715 442.4196       41.18515 95.57647 4.996044 94.03398 4.487503 1.542488       6.715514 
1 1 1 -17 20 24 o 50.99140 4.098653 130.2890       20.28493 126.3861       29.54870 133.7678       27.89697 49.47267 6.240490 51.14270 5.667747 -1.670029      8.430129 
1 1 1 -17 20 25 o 64.88302 3.623807 209.5941       22.92310 163.1818       33.02630 252.7385       31.84241 56.33335 6.085966 70.90694 4.612909 -14.57358      7.636616 
1 1 1 -17 20 26 o 97.79485 4.024086 477.5742       38.43799 392.7000       77.82339 504.9601       44.20643 84.87126 9.532514 100.3083 4.513946 -15.43707      10.54725 
1 1 1 -17 20 27 o 57.90518 3.908666 167.8633       22.02419 150.5009       32.40348 182.7714       30.02604 53.87581 6.261060 59.94416 5.167751 -6.068352      8.118283 
1 1 1 -17 20 28 o 42.07448 4.712023 90.11198       19.07289 70.07719       26.89944 110.3679       27.04745 35.83711 7.883043 46.03526 6.156677 -10.19815      10.00235 
1 1 1 -17 20 29 o 20.31699 7.084626 20.06603       17.30279 21.39907       24.37671 18.71243       24.56404 22.03038 8.300690 21.42742 8.269101 0.6029549      11.71663 
1 1 1 -17 20 30 o 37.50943 5.565137 73.43513       19.81392 51.74080       27.71986 96.09884       28.33240 30.28955 8.817733 42.26311 7.100339 -11.97356      11.32110 
1 1 1 -17 20 31 o 18.75166 7.142545 14.60378       18.16573 1.741288       24.68005 29.81112       26.83554 17.84180 7.712934 24.27618 8.785840 -6.434381      11.69104 
1 1 1 -17 20 32 o 21.86480 7.265729 25.17624       18.16644 40.16833       25.20370 8.965321       26.20818 26.75411 8.535480 19.49013 8.167160 7.263981       11.81342 
1 1 1 -17 20 33 o 11.52692 5.484078 -19.17250      16.93635 -8.991799      22.88198 -31.50741      25.18679 15.39104 6.988186 13.55224 6.511926 1.838803       9.551959 
1 1 1 -17 20 34 f 14.64779 6.785655 -14.57844      23.09604 -14.57844      23.09604 0.000000       0.000000 14.64779 6.785655 ?        ?        ?              ?        
1 1 1 -17 20 35 o 19.34102 8.381666 4.511563       29.28972 37.96000       54.13863 -9.330000      34.82667 28.18487 11.76930 18.88099 8.591761 9.303881       14.57171 
1 1 1 -17 20 36 o 22.99659 7.298326 29.14223       18.44694 24.41612       24.69662 35.10680       27.74435 22.25275 8.361317 25.19327 8.955375 -2.940517      12.25195 
1 1 1 -17 20 37 o 18.52468 7.255095 13.92555       19.12764 16.03000       27.60484 11.98203       26.52840 20.86779 8.527765 19.85457 8.260557 1.013224       11.87264 
1 1 1 -17 20 38 o 25.32503 7.242815 36.42771       18.85763 22.24594       25.68506 53.01101       27.77479 21.73625 8.437335 29.71417 8.873344 -7.977922      12.24438 
1 1 1 -17 20 39 o 13.47637 6.184902 -9.441676      18.55744 -17.80362      25.30510 0.2879410      27.29622 14.84925 6.953225 17.90224 7.914618 -3.052986      10.53511 
1 1 1 -17 20 40 o 16.87537 7.004320 7.869541       19.00861 24.59780       26.02323 -11.26541      27.83232 22.14693 8.520497 16.40262 7.544939 5.744305       11.38090 
1 1 1 -17 20 41 o 28.92380 7.105054 48.23365       19.96758 60.12357       26.95251 33.76896       29.72791 31.40323 8.543246 24.41360 9.173495 6.989634       12.53555 
1 1 1 -17 20 42 o 19.76236 7.400651 19.56121       19.31330 12.68575       25.78551 28.34733       29.14898 19.42237 8.117242 23.10554 8.982861 -3.683172      12.10708 
1 1 1 -17 20 43 o 21.76612 7.580446 26.38893       19.80606 62.63786       26.91385 -16.43181      29.25198 32.00638 8.462958 16.06778 7.508172 15.93860       11.31346 
1 1 1 -17 20 44 o 34.10741 8.172544 70.23789       26.92688 27.46000       52.23420 85.72012       31.42405 25.17721 11.04633 37.27040 8.762287 -12.09320      14.09961 
1 1 1 -17 20 45 o 24.21083 8.834732 34.45258       27.21177 7.292000       52.44893 44.45646       31.83107 23.03116 10.50478 26.61131 9.576941 -3.580156      14.21507 
1 1 1 -17 20 46 o 43.05841 9.169858 116.0834       37.46275 56.53000       55.88056 164.7000       50.48936 28.78291 11.98325 49.58083 10.71652 -20.79792      16.07613 
1 1 1 -17 20 47 o 35.31694 9.290549 79.99326       32.54205 0.000000       0.000000 79.99326       32.54205 ?        ?        35.31694 9.290549 ?              ?        
1 1 1 -17 20 48 o 31.93620 9.899998 68.68153       34.14274 0.000000       0.000000 68.68153       34.14274 ?        ?        31.93620 9.899998 ?              ?        
1 1 1 -17 20 49 o 19.33672 8.169452 12.95193       26.56423 27.23000       51.02089 7.642006       31.11412 24.51896 10.83113 19.36772 8.510569 5.151245       13.77473 
1 1 1 -17 20 50 o 22.92639 8.623202 30.99515       26.28240 39.41000       50.11436 27.80257       30.86810 25.61452 11.03135 22.57196 9.092901 3.042559       14.29586 
1 1 1 -17 20 51 f 23.09420 8.587351 32.61401       25.91257 52.35000       49.19081 25.03399       30.48524 26.88393 11.22178 21.79351 8.940195 5.090422       14.34766 
1 1 1 -17 21 1  f 67.46298 3.203592 224.3941       21.09436 197.9373       36.89511 237.2423       25.71117 62.73473 6.084660 69.26878 3.806720 -6.534050      7.177339 
1 1 1 -17 21 2  o 92.85229 3.471041 425.1047       31.49151 459.2000       71.39168 416.8679       35.08985 95.15022 7.731920 91.85497 3.911723 3.295250       8.665112 
1 1 1 -17 21 3  f 57.94180 3.352871 165.7933       18.93460 114.8815       33.21828 190.2959       23.04486 47.26905 7.423908 62.01130 3.815088 -14.74225      8.346814 
1 1 1 -17 21 4  o 98.07339 3.174941 473.6743       30.43830 417.3482       47.13179 513.9747       39.86700 91.54176 5.282467 101.9813 4.001573 -10.43949      6.626994 
1 1 1 -17 21 5  o 84.25186 3.110441 349.6342       25.60717 338.6523       41.60061 356.3336       32.49231 82.44997 5.180885 84.89803 3.920585 -2.448067      6.497119 
1 1 1 -17 21 6  o 19.71755 7.780420 11.67394       22.14163 5.718000       32.43762 16.87000       30.29777 21.63592 9.077509 23.10965 9.106741 -1.473724      12.85822 
1 1 1 -17 21 7  o 153.6261 5.151771 1173.094       77.35937 1329.000       118.1212 1056.000       102.3675 162.1797 7.460883 144.6570 7.252772 17.52275       10.40517 
1 1 1 -17 21 8  o 32.61222 8.506689 56.13769       27.43390 56.13769       27.43390 0.000000       0.000000 32.61222 8.506689 ?        ?        ?              ?        
1 1 1 -17 21 9  o 32.90750 6.916086 56.38818       21.56848 57.31472       27.50988 54.91000       34.74710 32.92558 8.483384 32.42509 9.976141 0.5004921      13.09546 
1 1 1 -17 21 10 o 138.0140 3.842454 941.2549       51.85793 1009.000       95.79372 913.1714       61.67707 141.3837 6.943235 135.6349 4.652534 5.748779       8.357905 
1 1 1 -17 21 11 o 85.12393 3.094094 357.2198       25.73761 379.0082       41.42376 343.5197       32.84732 87.22557 4.871112 83.25967 4.042583 3.965897       6.330103 
1 1 1 -17 21 12 o 81.68404 3.139833 329.1062       25.05766 314.0426       39.67492 339.1022       32.31931 79.27223 5.140878 82.71786 4.003577 -3.445625      6.515924 
1 1 1 -17 21 13 o 32.89916 5.795506 55.66078       17.98152 -1.995000      55.55833 62.40688       19.00440 26.20823 11.44810 34.88931 5.766124 -8.681076      12.81823 
1 1 1 -17 21 14 o 91.86134 3.727475 417.7562       33.44652 304.5000       69.33848 452.0991       38.18227 75.97580 9.533121 95.45699 4.095997 -19.48119      10.37582 
1 1 1 -17 21 15 o 23.50808 6.951072 28.53797       17.11130 26.86000       52.90033 28.73405       18.08345 29.20161 11.85302 23.65304 7.181440 5.548573       13.85883 
1 1 1 -17 21 16 o 73.83480 4.697387 272.5589       33.77271 237.2000       64.00861 286.2000       39.75712 66.34379 10.18137 75.40650 5.422625 -9.062714      11.53538 
1 1 1 -17 21 17 o 86.03826 4.555634 369.5414       38.22927 406.3000       70.28922 354.1000       45.55662 88.33804 8.223404 83.80412 5.585551 4.533913       9.940964 
1 1 1 -17 21 18 o 41.61947 4.417418 87.12126       17.72131 89.39117       28.55770 85.69981       22.59876 41.24724 7.342480 40.88136 5.810933 0.3658791      9.363704 
1 1 1 -17 21 19 o 60.97206 3.525974 184.5878       20.95365 187.5219       32.67219 182.5378       27.30952 60.82489 5.548738 60.31043 4.662278 0.5144615      7.247436 
1 1 1 -17 21 20 o 23.02175 6.991145 27.45609       17.13664 1.539000       27.93544 43.09314       21.69901 19.25432 8.263393 28.39670 7.640230 -9.142384      11.25419 
1 1 1 -17 21 21 o 15.83565 6.540380 4.579346       16.46138 4.769000       26.72420 4.463391       20.89624 19.41554 8.197940 17.45050 7.301204 1.965046       10.97788 
1 1 1 -17 21 22 o 19.57127 6.924298 17.64501       16.56972 14.73530       24.21502 20.20705       22.72237 20.68995 8.145035 21.65718 8.043597 -0.9672203     11.44732 
1 1 1 -17 21 23 o 87.26303 3.356204 377.7368       28.61373 371.2682       42.39799 383.1474       38.77600 85.77970 5.072213 87.40124 4.548163 -1.621536      6.812718 
1 1 1 -17 21 24 o 45.81232 4.465198 105.9355       19.76918 96.14835       28.80055 114.6554       27.18504 42.63365 7.154687 47.11371 6.033175 -4.480057      9.358887 
1 1 1 -17 21 25 o 91.50475 3.362627 415.8661       30.06694 403.9745       44.64046 425.7399       40.67747 89.32702 5.127053 92.04350 4.528874 -2.716476      6.840860 
1 1 1 -17 21 26 o 64.50404 3.647713 207.6364       22.93719 191.2677       33.54048 222.0170       31.43770 61.06931 5.675968 66.21091 4.885221 -5.141602      7.488791 
1 1 1 -17 21 27 o 28.95501 6.525408 44.89168       18.05000 -5.599544      25.63159 94.56367       25.42280 17.12553 7.615012 42.45923 6.308535 -25.33370      9.888681 
1 1 1 -17 21 28 o 35.70205 5.593981 66.54107       18.90723 49.64459       26.40026 84.33307       27.09084 29.82694 8.582217 39.52499 7.270181 -9.698046      11.24767 
1 1 1 -17 21 29 o 28.47981 6.690730 44.00798       18.33283 45.68333       25.71856 42.27732       26.13964 28.57767 8.539669 27.60757 8.678318 0.9701023      12.17535 
1 1 1 -17 21 30 o 23.75938 7.254844 30.61373       18.41999 50.19516       25.36456 8.763450       26.79375 29.78116 8.360598 19.69108 8.255066 10.09008       11.74928 
1 1 1 -17 21 31 o 27.42911 6.942204 41.57101       18.65198 60.53965       25.55773 19.95588       27.28243 32.66652 8.046640 21.91308 8.639701 10.75344       11.80647 
1 1 1 -17 21 32 o 67.43742 3.715742 229.1530       24.43267 239.0507       35.18906 219.9400       33.95026 67.86593 5.340235 65.05522 5.379613 2.810707       7.580129 
1 1 1 -17 21 33 o 14.12308 6.651971 -20.71761      23.75454 -20.71761      23.75454 0.000000       0.000000 14.12308 6.651971 ?        ?        ?              ?        
1 1 1 -17 21 34 o 25.85907 8.613425 37.87128       25.52747 64.86000       54.31385 30.21914       28.92084 32.04754 12.31465 24.19165 9.056864 7.855885       15.28651 
1 1 1 -17 21 35 o 48.47812 4.566724 121.1743       21.41460 119.3622       29.90518 123.0815       30.67929 46.79077 6.722242 47.47252 6.795958 -0.6817474     9.558953 
1 1 1 -17 21 36 f 18.05170 7.237359 11.74102       19.45638 47.21000       28.26302 -20.20873      26.82427 28.21212 9.042694 15.16950 7.120948 13.04262       11.50992 
1 1 1 -17 21 37 o 21.79091 7.349808 25.80583       18.58097 0.9062740      25.77051 52.76575       26.81554 17.62867 7.745912 29.71447 8.679078 -12.08580      11.63295 
1 1 1 -17 21 38 o 33.15042 6.264246 60.48579       19.58191 44.89999       26.67490 78.70101       28.83735 27.40266 8.785135 36.55889 8.254578 -9.156225      12.05474 
1 1 1 -17 21 39 o 17.93219 7.076480 12.99812       18.31760 -5.307529      24.12004 37.94183       28.15567 16.06734 7.246589 25.49151 9.025439 -9.424170      11.57461 
1 1 1 -17 21 40 o 29.36164 6.845466 49.17870       19.30970 59.70851       26.04949 36.33588       28.76863 31.44142 8.331730 24.95312 9.087241 6.488302       12.32865 
1 1 1 -17 21 41 o 30.44916 6.898313 53.09314       20.08205 65.53735       26.92016 37.47861       30.15493 32.87380 8.351006 25.17657 9.281540 7.697229       12.48544 
1 1 1 -17 21 42 o 37.38148 5.787476 76.28568       20.49262 94.78684       27.64487 53.71899       30.53157 40.66468 7.209223 29.01930 9.407350 11.64537       11.85205 
1 1 1 -17 21 43 o 12.68671 5.966328 -15.31899      18.98085 0.5091217      25.26758 -35.81823      28.75531 17.12327 7.590298 14.01703 6.789909 3.106236       10.18408 
1 1 1 -17 21 44 o 35.46679 6.512579 70.81731       21.77607 100.1845       29.93858 37.82718       31.73162 41.35024 7.679491 25.14823 9.471574 16.20201       12.19366 
1 1 1 -17 21 45 o 17.79423 7.560998 8.174781       22.97427 5.026476       26.64433 17.30000       45.36156 18.14434 7.926770 23.11933 10.21282 -4.974995      12.92808 
1 1 1 -17 21 46 o 12.38155 5.899298 -19.97046      19.74438 -28.18367      26.17691 -9.131085      30.07211 13.82678 6.642510 17.02806 7.836277 -3.201279      10.27279 
1 1 1 -17 21 47 f 42.24485 6.151099 99.21190       24.68864 111.5000       37.03468 89.38307       33.12204 41.80522 9.291427 37.43148 9.124260 4.373741       13.02239 
1 1 1 -17 21 48 o 32.27346 7.593028 62.30920       23.58319 61.48000       34.56542 63.03136       32.25742 30.05386 10.02319 30.74509 9.637122 -0.6912346     13.90462 
1 1 1 -17 21 49 o 13.63095 6.320462 -10.58208      20.10797 -9.896293      26.63212 -11.49139      30.66672 15.81566 7.312613 16.71167 7.768284 -0.8960094     10.66867 
1 1 1 -17 21 50 o 18.33817 7.365713 15.09745       20.19146 34.96885       27.85371 -6.909402      29.31216 23.72804 8.887194 16.78021 7.727443 6.947832       11.77691 
1 1 1 -17 21 51 o 27.23683 7.602956 46.10549       21.03925 16.88027       28.53718 80.90729       31.14103 19.98030 8.455625 34.85565 9.049020 -14.87535      12.38476 
1 1 1 -17 22 1  o 83.59177 3.413390 344.9108       27.87027 394.9000       66.04190 334.0791       30.74181 87.96698 7.749105 82.17534 3.832478 5.791641       8.645028 
1 1 1 -17 22 2  o 89.29407 4.635612 396.2478       40.37815 437.7000       70.25362 375.8000       49.34211 92.60134 7.823917 86.56069 5.858098 6.040649       9.773995 
1 1 1 -17 22 3  o 41.73695 3.945893 86.79549       15.92888 79.01186       31.68587 89.42782       18.42653 38.62920 8.600997 42.25479 4.525548 -3.625584      9.718937 
1 1 1 -17 22 4  o 120.4888 3.310106 715.7705       39.00167 671.6938       58.92299 750.1393       52.03109 116.0908 5.198570 123.0315 4.327301 -6.940720      6.763923 
1 1 1 -17 22 5  o 34.28897 4.679687 59.34710       15.29699 28.44465       30.78826 69.47585       17.62652 25.61353 9.389306 37.07856 4.982660 -11.46503      10.62949 
1 1 1 -17 22 6  o 64.94435 3.355743 208.4229       21.25989 148.6289       36.26080 239.7440       26.24385 53.86319 7.046432 69.55952 3.869723 -15.69633      8.039090 
1 1 1 -17 22 7  o 141.2623 4.194579 988.4356       57.93483 957.5095       72.28127 1044.000       96.88599 138.5198 5.340996 143.7303 6.906838 -5.210556      8.731017 
1 1 1 -17 22 8  o 18.73528 7.726308 6.428971       22.92587 -8.837000      32.22203 22.08000       32.62588 19.25291 8.550832 24.58956 9.519022 -5.336653      12.79564 
1 1 1 -17 22 9  o 81.04769 5.221004 328.6341       41.19879 328.6341       41.19879 0.000000       0.000000 81.04769 5.221004 ?        ?        ?              ?        
1 1 1 -17 22 10 o 22.23877 7.899193 22.38788       21.58233 35.34194       27.07327 -0.1973000     35.74780 26.64584 8.870251 21.50899 9.290393 5.136858       12.84495 
1 1 1 -17 22 11 o 56.21361 3.512629 156.6267       19.23110 133.1084       32.32559 169.5104       23.92565 50.95790 6.638464 58.33033 4.218985 -7.372421      7.865687 
1 1 1 -17 22 12 o 25.05288 5.968673 32.76418       14.42723 10.97181       26.58545 41.86085       17.17643 20.73430 8.407645 28.28606 6.358775 -7.551760      10.54147 
1 1 1 -17 22 13 o 38.77701 4.384516 75.61866       16.35029 72.77460       28.50066 77.01383       19.96180 36.95726 8.102441 38.87884 5.390234 -1.921581      9.731606 
1 1 1 -17 22 14 o 56.56424 4.117358 159.5876       22.64033 119.3000       58.74897 166.6144       24.53544 45.60316 12.69556 57.73368 4.374234 -12.13052      13.42800 
1 1 1 -17 22 15 o 15.75533 6.646913 2.188460       17.54475 -63.30000      53.20060 10.18000       18.58443 19.96277 9.558315 18.06442 7.128091 1.898350       11.92355 
1 1 1 -17 22 16 o 85.45077 4.604447 365.0529       38.37008 361.9000       70.12852 366.4000       45.84011 82.84519 8.781683 85.21706 5.525360 -2.371864      10.37533 
1 1 1 -17 22 17 o 88.03529 5.227212 390.0859       44.84082 337.6000       72.22894 423.0000       57.19805 79.42081 9.478022 91.03472 6.460994 -11.61391      11.47072 
1 1 1 -17 22 18 o 72.43595 5.639407 266.0941       39.66986 243.7000       68.09256 277.6000       48.80833 66.31789 10.86564 73.38464 6.874934 -7.066750      12.85795 
1 1 1 -17 22 19 o 90.15627 3.538056 403.3906       31.16182 429.6000       55.60420 391.3898       37.62564 91.73544 6.229428 88.48690 4.357491 3.248543       7.602203 
1 1 1 -17 22 20 o 111.6490 3.418644 618.0666       37.31669 563.1327       55.72947 662.7173       50.24342 105.5417 5.412621 115.0930 4.468377 -9.551369      7.018750 
1 1 1 -17 22 21 o 12.35994 5.714699 -12.24467      16.26363 -23.20107      25.76638 -4.988712      20.96846 14.93536 7.000856 15.63222 6.922682 -0.6968632     9.845583 
1 1 1 -17 22 22 o 52.92574 4.078868 140.4035       20.96774 138.9085       31.60264 141.5791       28.02450 51.78610 6.368491 52.64199 5.520790 -0.8558922     8.428333 
1 1 1 -17 22 23 o 38.12238 5.220754 74.61870       18.97013 50.47158       27.61953 96.18275       26.10050 30.32775 8.793892 42.90612 6.411068 -12.57837      10.88275 
1 1 1 -17 22 24 o 85.81155 4.083159 368.5603       34.19799 397.4000       75.26038 361.0562       38.39021 85.48847 9.135427 84.65348 4.650947 0.8349915      10.25121 
1 1 1 -17 22 25 o 86.41653 3.379134 371.3976       28.52795 317.6057       40.96278 422.0608       39.75362 78.96558 5.330869 91.60576 4.446794 -12.64017      6.942056 
1 1 1 -17 22 26 o 47.93945 4.369826 116.3511       20.28000 61.60469       28.52658 172.2933       28.83643 33.16140 8.686462 58.07477 5.125347 -24.91337      10.08582 
1 1 1 -17 22 27 o 54.89977 5.054284 154.3112       26.85577 111.2000       59.00011 165.5778       30.16151 41.73732 13.02615 56.65462 5.508361 -14.91729      14.14293 
1 1 1 -17 22 28 o 17.57791 6.972251 10.49344       17.86605 -22.42058      24.68638 46.69339       25.88934 14.41234 6.786042 28.80734 8.558221 -14.39500      10.92216 
1 1 1 -17 22 29 o 45.62040 4.670677 106.7444       20.56258 92.60294       29.45117 120.1945       28.72230 40.95985 7.626341 47.57895 6.323786 -6.619102      9.907136 
1 1 1 -17 22 30 o 44.09016 4.808151 100.3190       20.41453 87.77319       28.21996 114.0921       29.56821 39.78592 7.521883 45.95829 6.775927 -6.172363      10.12383 
1 1 1 -17 22 31 o 25.81071 7.140286 37.09032       18.64801 3.932029       25.01685 78.55374       27.97494 18.15530 7.806189 37.28584 7.910435 -19.13054      11.11358 
1 1 1 -17 22 32 o 23.59862 7.889416 30.41243       21.41301 35.09840       25.87123 20.22000       38.15541 25.17188 8.668960 23.69457 9.886292 1.477310       13.14875 
1 1 1 -17 22 33 o 17.42873 6.980956 10.51193       18.08437 22.89951       24.90682 -3.300613      26.30038 21.93700 8.361628 17.26303 7.692604 4.673969       11.36191 
1 1 1 -17 22 34 o 23.04943 7.253778 29.39758       18.25731 22.39870       24.69259 37.83819       27.11683 21.73239 8.315305 25.80541 8.875661 -4.073017      12.16230 
1 1 1 -17 22 35 o 33.07829 6.614040 60.48889       20.66599 71.10000       30.26524 51.21948       28.28719 34.46632 8.907199 29.26403 9.000713 5.202282       12.66298 
1 1 1 -17 22 36 o 45.53955 4.677205 107.7900       20.55279 137.5576       28.79524 76.87585       29.34461 50.65757 5.918659 36.06448 8.459735 14.59309       10.32461 
1 1 1 -17 22 37 o 18.50810 7.032024 15.63185       17.58034 3.789417       23.34108 31.15810       26.72599 17.34978 7.500515 23.81788 8.745189 -6.468102      11.52111 
1 1 1 -17 22 38 f 45.29290 4.611421 106.8715       20.15943 110.0844       27.28829 103.0111       29.91142 44.77964 6.408188 42.51172 7.460193 2.267918       9.834600 
1 1 1 -17 22 39 o 36.97229 5.553664 73.79399       19.47785 76.88488       26.01195 69.84881       29.38758 36.39651 7.549213 33.68128 8.813628 2.715237       11.60477 
1 1 1 -17 22 40 o 18.91893 7.145206 17.28937       18.08655 17.81423       23.49114 16.52531       28.34315 20.02489 7.977909 20.63368 8.557596 -0.6087914     11.69955 
1 1 1 -17 22 41 o 11.86879 5.647104 -18.44575      17.96432 -0.8487293     23.39559 -43.72591      28.04170 16.37502 7.278640 13.16726 6.449751 3.207764       9.725117 
1 1 1 -17 22 42 o 19.62542 7.353864 19.38602       19.07594 34.52705       25.22126 -0.8537640     29.16031 24.21491 8.545036 17.94519 8.040919 6.269714       11.73346 
1 1 1 -17 22 43 o 13.85649 6.317345 -6.999164      18.94194 -32.23701      24.83450 28.10483       29.28920 13.02060 6.307902 22.90581 8.975718 -9.885212      10.97056 
1 1 1 -17 22 44 o 16.54523 7.213665 2.992383       21.97077 -5.941061      25.20024 31.30000       44.85871 16.08445 7.315026 24.81564 10.55565 -8.731192      12.84256 
1 1 1 -17 22 45 o 13.70587 6.309098 -9.216850      19.51126 3.978333       25.99017 -26.25645      29.53460 17.78165 7.797033 15.04225 7.180352 2.739403       10.59958 
1 1 1 -17 22 46 o 14.31576 6.577855 -8.666679      21.07505 -17.15000      29.81931 -0.2000503     29.78996 15.98229 7.504228 18.01784 8.096068 -2.035551      11.03901 
1 1 1 -17 22 47 o 21.51954 7.702128 26.14670       20.55701 39.76589       27.47725 8.832670       30.98110 25.28842 8.919445 19.55433 8.545058 5.734093       12.35211 
1 1 1 -17 22 48 o 24.29929 7.737622 35.84209       20.71995 18.22345       27.46570 59.11239       31.56497 20.37167 8.434258 29.60393 9.562641 -9.232262      12.75072 
1 1 1 -17 22 49 o 22.61680 8.003428 30.79006       22.13777 37.35000       32.92901 25.37995       29.90418 24.36805 9.526377 21.86582 8.898315 2.502230       13.03579 
1 1 1 -17 22 50 o 24.74189 7.691174 38.03091       20.59087 36.44407       28.00783 39.89743       30.37588 23.94180 8.922880 24.70418 9.274994 -0.7623787     12.87025 
1 1 1 -17 23 1  o 55.20000 4.182552 151.7562       22.43069 139.1582       34.69869 160.8000       29.39943 52.03794 6.988711 56.51879 5.379003 -4.480850      8.819057 
1 1 1 -17 23 2  o 39.82432 4.125373 79.34121       15.84856 60.23542       31.69784 85.70942       18.30020 33.54874 9.320024 41.30208 4.604893 -7.753342      10.39557 
1 1 1 -17 23 3  o 88.42368 3.182944 385.8520       27.50392 363.0269       44.99781 399.4654       34.75111 85.09200 5.430867 89.76894 3.964688 -4.676941      6.724066 
1 1 1 -17 23 4  o 81.31448 3.188140 326.4131       25.32614 312.6968       42.12448 334.1778       31.69402 78.91986 5.487257 82.08808 3.956138 -3.168221      6.764689 
1 1 1 -17 23 5  o 67.24174 3.309904 223.5528       21.71820 196.7433       37.92773 236.6321       26.49142 62.22760 6.314158 69.04279 3.936260 -6.815189      7.440614 
1 1 1 -17 23 6  o 82.02838 3.265058 332.3873       26.16332 254.5386       42.18828 381.0383       33.35122 70.90426 6.139165 87.66736 3.896314 -16.76310      7.271218 
1 1 1 -17 23 7  o 117.8783 3.343720 686.2711       38.54171 660.0323       59.46851 705.2744       50.60937 114.8141 5.305931 119.1301 4.347426 -4.316010      6.859520 
1 1 1 -17 23 8  o 44.85568 3.971955 100.4127       17.25919 87.52256       31.45776 105.9637       20.64363 40.61152 8.196444 45.92671 4.656415 -5.315193      9.426764 
1 1 1 -17 23 9  o 39.07721 6.508851 79.09226       24.02096 89.91937       31.77857 64.66000       36.68980 41.15136 8.177615 34.52606 10.17054 6.625298       13.05041 
1 1 1 -17 23 10 o 109.6595 4.643130 599.9467       49.72552 615.5000       71.40238 585.3000       69.29018 109.9788 6.664085 107.2573 6.632363 2.721458       9.402035 
1 1 1 -17 23 11 o 55.09469 6.445172 155.5910       34.10158 155.5910       34.10158 0.000000       0.000000 55.09469 6.445172 ?        ?        ?              ?        
1 1 1 -17 23 12 o 75.98509 3.804070 286.7820       28.20329 214.0000       64.09180 304.2599       31.40763 62.36612 10.89532 78.17410 4.119091 -15.80797      11.64795 
1 1 1 -17 23 13 o 60.42304 3.542944 181.2674       20.86235 172.3514       35.09572 186.1397       25.94372 58.03635 6.277814 61.00750 4.373547 -2.971146      7.651070 
1 1 1 -17 23 14 o 49.03598 4.313309 120.5579       20.49216 108.1225       31.19271 130.0000       27.18040 45.43652 7.257686 50.54042 5.587467 -5.103897      9.159355 
1 1 1 -17 23 15 o 19.55806 7.279902 15.80268       18.63179 -20.09000      54.41283 20.57000       19.83058 23.65014 10.75312 21.20760 7.567717 2.442539       13.14914 
1 1 1 -17 23 16 o 18.85077 7.045749 14.46745       17.48818 8.160000       56.64552 15.13198       18.38636 27.01970 11.68277 19.28288 7.220916 7.736818       13.73421 
1 1 1 -17 23 17 o 39.46811 5.760035 80.27775       21.59685 0.000000       0.000000 80.27775       21.59685 ?        ?        39.46811 5.760035 ?              ?        
1 1 1 -17 23 18 o 116.3662 4.472179 677.6634       50.84440 0.000000       0.000000 677.6634       50.84440 ?        ?        116.3662 4.472179 ?              ?        
1 1 1 -17 23 19 o 40.16242 5.712327 83.17999       21.82388 49.12000       62.16309 87.96815       23.30746 32.84310 13.01238 41.23803 5.945736 -8.394932      14.30642 
1 1 1 -17 23 20 o 17.22879 6.773139 9.744366       16.72462 26.49416       26.87621 -0.8406721     21.36533 23.96501 8.774553 16.51283 7.157303 7.452181       11.32342 
1 1 1 -17 23 21 o 80.49866 3.441125 322.1133       27.05155 390.1040       44.33275 281.7805       34.14511 87.76649 5.183559 74.78342 4.688215 12.98307       6.989181 
1 1 1 -17 23 22 o 78.52348 3.450260 306.7509       26.45429 310.3271       40.69281 304.1332       34.81509 78.09890 5.355541 77.70084 4.598135 0.3980637      7.058659 
1 1 1 -17 23 23 o 42.18433 4.883695 90.81535       19.79329 87.28621       29.69303 93.63760       26.55329 40.12537 7.841372 42.13908 6.658587 -2.013718      10.28707 
1 1 1 -17 23 24 o 61.74271 3.778224 190.8658       22.72454 184.9017       33.73820 195.8185       30.74470 59.85070 5.832916 61.97169 5.113872 -2.120991      7.757228 
1 1 1 -17 23 25 o 91.72086 4.042370 422.3869       36.20281 392.5000       74.97515 431.4740       41.34179 84.08434 9.262812 92.37127 4.586767 -8.286934      10.33625 
1 1 1 -17 23 26 o 24.65037 7.227576 33.00068       18.56532 13.63767       26.16806 52.62414       26.34347 20.57068 8.341353 30.55971 8.499035 -9.989027      11.90847 
1 1 1 -17 23 27 o 16.61539 6.836286 6.699309       17.89369 7.465573       24.90749 5.882032       25.72323 18.93892 7.950716 18.87415 8.009452 0.6476784E-01  11.28562 
1 1 1 -17 23 28 o 70.21033 4.569709 251.4645       31.23415 160.6000       64.92265 278.8293       35.62829 48.90442 13.24042 73.67688 4.969419 -24.77246      14.14227 
1 1 1 -17 23 29 o 26.21485 7.005431 38.13730       18.31923 51.66635       25.64447 24.03902       26.17840 29.95900 8.405204 22.56160 8.578916 7.397396       12.01021 
1 1 1 -17 23 30 o 22.05721 7.401830 25.90082       18.84603 7.658036       25.24752 48.85568       28.32113 18.87494 7.968878 28.93607 9.024040 -10.06112      12.03895 
1 1 1 -17 23 31 o 31.30053 9.463479 58.94585       31.44808 167.0000       58.40182 14.82000       37.32091 50.51258 11.99214 22.65588 9.632181 27.85670       15.38149 
1 1 1 -17 23 32 o 75.98337 4.758176 297.5244       35.21111 265.2000       44.50779 351.6000       57.56667 70.16721 6.556209 79.82406 7.453865 -9.656845      9.926931 
1 1 1 -17 23 33 o 15.77308 6.724380 3.312080       18.27627 13.52000       26.19716 -6.367083      25.50965 20.07947 8.267714 16.51201 7.449296 3.567461       11.12866 
1 1 1 -17 23 34 o 28.60613 7.112119 46.33430       19.82945 45.43000       28.10816 47.23028       27.97844 27.67687 9.030202 28.16113 8.994007 -0.4842606     12.74507 
1 1 1 -17 23 35 o 46.07970 4.647072 110.3158       20.67416 102.4363       28.41396 119.1802       30.13745 42.88324 7.011270 46.44379 6.833465 -3.560555      9.790513 
1 1 1 -17 23 36 o 24.27883 7.122014 33.56777       18.02330 42.33716       24.37641 22.99255       26.76885 26.73390 8.377234 21.91913 8.583282 4.814766       11.99378 
1 1 1 -17 23 37 o 14.80928 6.410950 1.375727       17.09879 20.11742       22.86426 -22.40613      25.75583 20.59567 7.969877 14.42648 6.834304 6.169186       10.49889 
1 1 1 -17 23 38 o 22.57480 7.334747 28.98130       18.55435 40.98833       24.94501 14.11172       27.75972 26.09977 8.506351 20.12256 8.416948 5.977211       11.96675 
1 1 1 -17 23 39 o 29.21047 6.848530 48.93348       19.23916 35.39237       26.11106 65.01658       28.45656 24.51394 8.690384 32.38285 8.765230 -7.868914      12.34310 
1 1 1 -17 23 40 o 16.04103 6.784322 5.688619       18.35214 25.75293       24.56528 -19.65409      27.60808 21.95081 8.318823 15.18668 7.158563 6.764125       10.97487 
1 1 1 -17 23 41 o 18.94382 7.269781 17.01825       18.91101 20.58788       24.92196 12.17308       29.03522 20.81051 8.241026 19.91584 8.482584 0.8946762      11.82661 
1 1 1 -17 23 42 o 17.61137 7.122609 11.87606       19.02291 43.39848       25.00669 -31.42048      29.30712 26.54714 8.505506 14.52494 6.990870 12.02220       11.00981 
1 1 1 -17 23 43 o 23.97628 8.039921 34.19847       22.23578 37.47005       25.90464 25.04000       43.34209 24.84573 8.668265 23.78644 10.25163 1.059292       13.42515 
1 1 1 -17 23 44 o 13.41186 6.263659 -13.38168      20.31259 5.930000       28.37209 -33.68887      29.09419 18.63909 8.160457 14.23332 6.878986 4.405771       10.67303 
1 1 1 -17 23 45 o 17.87092 7.204766 12.95923       19.39613 6.061556       25.32944 22.73791       30.15880 17.88613 7.772504 21.74850 8.903616 -3.862368      11.81889 
1 1 1 -17 23 46 o 58.60580 4.229796 178.7346       24.10097 201.6357       33.13035 152.9930       35.12487 60.92138 5.619122 51.49051 7.162837 9.430870       9.103888 
1 1 1 -17 23 47 o 23.31046 7.637987 32.58879       20.09928 19.15280       26.44501 50.96616       30.92790 20.39236 8.341640 27.65255 9.479972 -7.260189      12.62746 
1 1 1 -17 23 48 o 16.10635 6.882658 5.998855       19.22736 -23.35220      25.41629 45.27130       29.39979 13.86833 6.631166 26.16639 9.226461 -12.29806      11.36222 
1 1 1 -17 23 49 o 26.35111 7.341992 42.61356       19.63949 61.54122       26.75272 20.49045       28.92293 30.67261 8.577513 20.66999 8.614601 10.00261       12.15669 
1 1 1 -17 24 1  o 65.33366 3.366925 211.3938       21.45899 144.1423       37.60880 243.8578       26.13002 52.60917 7.516783 70.06749 3.824430 -17.45832      8.433759 
1 1 1 -17 24 2  o 66.82854 3.353296 221.1367       21.86504 165.0840       37.85433 249.2010       26.78513 56.57900 6.983288 70.81737 3.878906 -14.23837      7.988255 
1 1 1 -17 24 3  o 86.39093 3.215771 368.8916       27.14569 327.5685       44.35578 393.6371       34.32433 80.56679 5.660576 89.02595 3.948764 -8.459160      6.901801 
1 1 1 -17 24 4  o 44.80709 3.986460 100.3126       17.30164 84.26804       33.66418 106.0719       20.16928 39.50523 8.917854 45.94818 4.543952 -6.442959      10.00878 
1 1 1 -17 24 5  o 40.42078 4.342802 82.11804       16.91311 62.10632       32.81393 89.35773       19.73675 33.81969 9.514729 42.04328 4.886889 -8.223595      10.69634 
1 1 1 -17 24 6  o 89.34843 3.244543 394.7171       28.32859 330.2316       45.09721 436.7477       36.40840 80.83041 5.737207 93.75551 3.976362 -12.92509      6.980473 
1 1 1 -17 24 7  o 98.08672 3.256098 475.6812       31.21846 447.7590       50.36255 493.1053       39.78389 94.28861 5.480474 99.57964 4.090308 -5.291023      6.838583 
1 1 1 -17 24 8  o 53.07006 3.614533 140.0361       18.66415 129.9822       34.39046 144.2337       22.22139 49.95805 7.243832 53.70117 4.262420 -3.743122      8.404840 
1 1 1 -17 24 9  o 15.27215 6.048828 6.814702       13.42857 31.14437       29.92464 0.6799952      15.02650 25.78834 9.285090 14.32358 6.101569 11.46476       11.11045 
1 1 1 -17 24 10 f 41.61113 6.209433 89.41718       24.51823 99.75594       32.39835 75.56000       37.50821 43.34607 7.928083 36.96082 10.08783 6.385250       12.83038 
1 1 1 -17 24 11 o 18.34534 7.609795 6.115183       22.41772 -5.797678      28.65766 24.90000       35.98621 18.33567 8.107759 25.49500 9.961160 -7.159330      12.84369 
1 1 1 -17 24 12 o 44.01490 7.896531 102.9781       32.77066 102.9781       32.77066 0.000000       0.000000 44.01490 7.896531 ?        ?        ?              ?        
1 1 1 -17 24 13 o 56.43357 6.510717 164.2628       35.30583 164.2628       35.30583 0.000000       0.000000 56.43357 6.510717 ?        ?        ?              ?        
1 1 1 -17 24 14 o 17.38106 6.524719 11.98591       15.03123 9.488168       28.23199 12.97405       17.75731 20.70892 8.560355 18.48352 7.056618 2.225401       11.09394 
1 1 1 -17 24 15 f 100.2393 3.269829 497.7788       32.03964 462.5528       49.81348 522.6343       41.84333 95.66159 5.341103 102.3215 4.186696 -6.659904      6.786442 
1 1 1 -17 24 16 o 15.62886 6.609380 2.218104       17.41517 0.000000       0.000000 2.218104       17.41517 ?        ?        15.62886 6.609380 ?              ?        
1 1 1 -17 24 17 f 51.35565 4.899119 133.6011       24.32898 0.000000       0.000000 133.6011       24.32898 ?        ?        51.35565 4.899119 ?              ?        
1 1 1 -17 24 18 o 29.01497 7.113053 45.18328       20.04300 -7.282000      60.88462 51.56000       21.22611 25.91711 11.61548 31.00521 7.141376 -5.088095      13.63519 
1 1 1 -17 24 19 o 13.29145 6.185512 -15.91570      19.53044 -50.96000      59.01305 -11.60522      20.69675 21.82091 10.33956 14.41246 6.583307 7.408451       12.25750 
1 1 1 -17 24 20 f 48.41953 4.327550 118.2700       20.29417 139.4238       33.23920 105.6981       25.62465 51.57685 6.745495 45.15927 5.940974 6.417580       8.988708 
1 1 1 -17 24 21 o 92.27916 3.390031 423.4564       30.56854 426.0674       47.03088 421.5464       40.22377 91.54832 5.270674 91.52000 4.503982 0.2832794E-01  6.932954 
1 1 1 -17 24 22 o 57.56211 3.912257 166.2328       21.91199 180.3031       33.94434 156.1810       28.69046 59.04013 5.955020 55.18966 5.379154 3.850471       8.024809 
1 1 1 -17 24 23 o 32.32267 6.182710 55.50764       18.84853 51.96105       27.92529 58.47542       25.54514 30.42323 8.848532 32.45787 8.073795 -2.034632      11.97843 
1 1 1 -17 24 24 o 32.63506 6.206007 56.76740       19.10022 48.44263       27.76299 64.24841       26.31845 29.34469 8.895896 33.96416 8.041707 -4.619474      11.99191 
1 1 1 -17 24 25 o 61.97213 3.868724 193.3522       23.35063 168.9822       33.56678 216.2039       32.50439 56.73039 6.142766 64.85777 5.162621 -8.127380      8.024103 
1 1 1 -17 24 26 o 37.65834 5.508100 74.43410       19.70301 67.36308       28.11546 81.25795       27.61970 34.36858 8.423998 38.27908 7.639244 -3.910503      11.37197 
1 1 1 -17 24 27 f 34.47606 6.047055 63.69022       19.66272 27.75848       27.08896 103.7031       28.58597 23.58178 8.777905 43.67640 6.916662 -20.09462      11.17550 
1 1 1 -17 24 28 f 33.47097 6.300248 60.63841       19.88384 54.10051       27.19090 68.15308       29.15137 30.49956 8.688828 34.22474 8.688030 -3.725180      12.28730 
1 1 1 -17 24 29 o 35.89129 6.964255 71.12634       23.58363 61.48164       26.90649 103.1000       48.99016 32.54171 8.392590 39.58992 11.77550 -7.048214      14.46022 
1 1 1 -17 24 30 o 14.49003 6.927768 -30.10513      27.72650 -10.23000      53.75343 -37.31000      32.36416 22.74881 10.47182 15.32315 7.367714 7.425655       12.80399 
1 1 1 -17 24 31 o 23.53907 7.312660 30.88978       18.61727 10.66218       25.18188 55.27360       27.64820 19.28999 8.038724 30.50343 8.784523 -11.21344      11.90752 
1 1 1 -17 24 32 o 31.51022 6.912889 55.53449       20.73412 52.13000       29.56845 58.82800       29.08254 29.44111 9.226469 31.28831 9.009180 -1.847206      12.89547 
1 1 1 -17 24 33 o 34.55931 5.955779 64.73520       19.41977 81.26239       26.93629 46.84711       28.02336 37.79109 7.546220 27.99836 9.007199 9.792730       11.75054 
1 1 1 -17 24 34 o 27.34155 6.956635 42.41330       18.66022 43.44874       25.76190 41.27042       27.06540 27.06700 8.628840 26.44540 8.870215 0.6215935      12.37488 
1 1 1 -17 24 35 o 13.39208 6.067102 -6.223105      17.13165 -12.73637      23.22361 1.552595       25.37465 14.72812 6.816401 17.51542 7.691491 -2.787293      10.27727 
1 1 1 -17 24 36 o 25.68302 7.076077 37.91668       18.35590 20.40282       25.39102 57.09074       26.56724 21.03760 8.322244 30.66689 8.537374 -9.629290      11.92252 
1 1 1 -17 24 37 o 11.26202 5.396194 -20.21077      17.02290 -4.143025      23.23752 -38.82001      25.00788 15.84865 7.133453 12.56464 6.141049 3.284008       9.412685 
1 1 1 -17 24 38 o 27.51882 7.058661 43.95873       19.10399 28.81369       25.81709 62.28800       28.40172 22.83593 8.555486 31.58390 8.839934 -8.747971      12.30206 
1 1 1 -17 24 39 o 33.10731 6.236421 61.25026       19.46873 59.22828       26.38093 63.66851       28.85040 30.99340 8.460609 31.80103 8.912656 -0.8076210     12.28891 
1 1 1 -17 24 40 o 37.83442 5.651857 77.93096       20.29004 83.83953       27.30986 70.65121       30.31352 37.77613 7.648438 33.43724 9.045034 4.338890       11.84530 
1 1 1 -17 24 41 o 16.41200 7.074187 4.365822       20.64319 -4.712356      23.77137 32.21000       41.63150 15.82786 7.161030 24.67194 10.31287 -8.844086      12.55530 
1 1 1 -17 24 42 o 19.28851 7.280930 18.69657       18.77451 -3.292449      24.23496 51.69936       29.69031 16.15364 7.276596 28.30519 9.283648 -12.15155      11.79555 
1 1 1 -17 24 43 o 48.63266 5.061224 126.1793       23.74088 123.1000       34.03362 129.0979       33.13382 45.49442 7.930818 47.10049 7.433112 -1.606075      10.86964 
1 1 1 -17 24 44 o 23.94869 7.408196 34.06385       19.13013 43.63966       24.93934 20.37533       29.81780 26.42729 8.496690 21.25011 8.792042 5.177179       12.22676 
1 1 1 -17 24 45 o 17.80594 7.111891 13.41290       18.71506 12.33456       24.42281 14.94686       29.12897 18.78615 7.878902 20.15072 8.535982 -1.364571      11.61637 
1 1 1 -17 24 46 o 39.98309 5.483425 87.47755       20.89552 78.49458       27.73847 99.26291       31.77195 35.67781 8.125304 40.00839 8.381905 -4.330582      11.67377 
1 1 1 -17 24 47 o 20.34123 7.364014 23.25388       18.85455 6.658206       24.56088 47.06749       29.42113 17.59311 7.649338 26.60510 9.240599 -9.011992      11.99588 
1 1 1 -17 24 48 o 24.68812 7.232119 37.23050       18.59589 38.86008       24.49414 35.01327       28.57123 24.58667 8.436269 23.54990 8.960595 1.036772       12.30703 
1 1 1 -17 25 1  f 88.70290 3.231571 389.2842       28.01117 366.7080       47.32225 401.4606       34.75358 85.11662 5.713039 89.83906 3.961845 -4.722443      6.952341 
1 1 1 -17 25 2  o 39.10218 4.386653 77.05556       16.50046 78.09745       33.46672 76.72095       18.96590 37.81821 9.142618 38.81814 5.115934 -0.9999275     10.47665 
1 1 1 -17 25 3  f 60.83021 3.509054 183.7505       20.80504 145.7738       38.22142 199.7406       24.80122 52.72049 7.628078 63.28919 4.024321 -10.56870      8.624542 
1 1 1 -17 25 4  o 60.55053 3.483866 182.0471       20.56119 191.7062       39.30280 178.4074       24.12601 61.00635 6.691444 59.76111 4.150184 1.245243       7.873973 
1 1 1 -17 25 5  o 66.04067 3.408300 216.3384       21.95755 202.8318       39.34887 222.4460       26.46043 62.85021 6.489366 66.78188 4.067206 -3.931671      7.658592 
1 1 1 -17 25 6  o 60.06928 3.546168 179.3021       20.75780 121.0859       36.83435 206.3947       25.12791 47.69710 8.184175 64.33120 4.010458 -16.63410      9.113973 
1 1 1 -17 25 7  o 68.14714 3.358072 230.2911       22.33080 207.3531       38.52896 241.8940       27.40272 63.62565 6.267856 69.64718 4.036910 -6.021530      7.455378 
1 1 1 -17 25 8  o 45.93550 4.033378 105.6888       17.95132 71.58401       33.88446 118.9958       21.16565 36.02256 9.482178 48.63199 4.497273 -12.60943      10.49463 
1 1 1 -17 25 9  o 43.85979 4.125296 96.55274       17.50243 93.10693       33.88756 97.80634       20.43969 41.44345 8.634296 43.94643 4.831237 -2.502979      9.894034 
1 1 1 -17 25 10 o 32.76780 5.242124 55.24950       16.24713 33.12453       32.46445 62.64257       18.76631 26.47036 9.651264 34.79243 5.708241 -8.322073      11.21298 
1 1 1 -17 25 11 o 21.18157 8.876369 8.083900       30.95975 8.083900       30.95975 0.000000       0.000000 21.18157 8.876369 ?        ?        ?              ?        
1 1 1 -17 25 12 o 57.66280 6.667651 172.3557       36.94097 172.3557       36.94097 0.000000       0.000000 57.66280 6.667651 ?        ?        ?              ?        
1 1 1 -17 25 13 o 49.64595 6.278002 127.5389       29.82685 103.7000       43.12504 149.4000       41.29737 42.80438 10.39732 52.82280 8.257368 -10.01841      13.27736 
1 1 1 -17 25 14 o 30.86809 9.640828 52.09278       32.31222 52.09278       32.31222 0.000000       0.000000 30.86809 9.640828 ?        ?        ?              ?        
1 1 1 -17 25 15 o 42.12384 5.450535 91.09430       21.94731 107.6000       40.41311 84.19000       26.13755 43.91546 9.664185 39.90967 6.942830 4.005795       11.89955 
1 1 1 -17 25 16 o 25.57529 6.535911 34.86171       16.42104 19.70609       30.84093 40.85826       19.39954 23.18910 9.172427 27.56942 7.134502 -4.380320      11.62044 
1 1 1 -17 25 17 o 24.46202 7.584696 31.61132       20.03908 -0.5166000     58.38210 35.90193       21.33525 25.95620 11.51995 25.89248 7.787395 0.6371880E-01  13.90513 
1 1 1 -17 25 18 o 62.99934 4.356352 199.7810       26.69823 153.4000       67.42501 208.4054       29.07468 49.55455 13.52531 64.22556 4.656508 -14.67101      14.30444 
1 1 1 -17 25 19 o 122.5578 4.073668 751.8060       48.80103 651.4000       95.53578 787.2546       56.76576 109.4801 8.994310 125.0009 4.647551 -15.52077      10.12410 
1 1 1 -17 25 20 o 25.82647 7.800192 36.03340       21.37301 -20.16000      60.40859 44.07423       22.85106 24.24991 11.14026 28.34368 7.927820 -4.093769      13.67317 
1 1 1 -17 25 21 o 33.57661 6.082854 59.67936       19.25585 52.87251       31.08377 63.91824       24.52941 30.58823 9.439988 34.16777 7.537037 -3.579540      12.07975 
1 1 1 -17 25 22 o 28.18204 6.790238 43.16768       18.50840 39.25395       28.97465 45.86541       24.05593 26.93725 9.177213 28.69247 8.172140 -1.755220      12.28841 
1 1 1 -17 25 23 o 30.55557 6.617826 50.62139       19.21917 48.54155       28.05967 52.45943       26.37821 29.24359 8.958910 30.41819 8.521215 -1.174599      12.36419 
1 1 1 -17 25 24 o 49.45390 4.411929 124.6911       21.13272 118.1411       30.72475 130.5718       29.11273 46.81842 6.912083 49.73799 6.107911 -2.919575      9.224070 
1 1 1 -17 25 25 o 47.41544 5.814368 118.4967       26.42122 33.83000       58.22820 140.4486       29.64920 28.44927 12.06072 51.56191 5.985694 -23.11264      13.46438 
1 1 1 -17 25 26 o 50.50750 4.421330 130.5723       21.63804 71.78141       29.77841 196.3380       31.49534 35.11795 8.706509 61.46091 5.286613 -26.34296      10.18585 
1 1 1 -17 25 27 o 25.91172 7.212195 37.57962       18.96173 34.58602       25.51182 41.27450       28.34294 25.02850 8.608965 26.89228 9.077458 -1.863777      12.51058 
1 1 1 -17 25 28 o 63.42182 6.207486 214.6363       38.04256 162.6000       61.08875 247.6000       48.62123 48.93928 12.65829 66.86957 7.560798 -17.93029      14.74442 
1 1 1 -17 25 29 o 24.72248 7.643471 34.45308       20.36769 6.540108       24.87261 91.27000       35.48600 18.45084 7.854560 38.89720 9.421248 -20.44636      12.26597 
1 1 1 -17 25 30 o 38.02858 5.382337 76.59863       19.47563 90.87144       26.72740 60.44101       28.43746 40.49564 6.995721 31.82813 8.822285 8.667511       11.25934 
1 1 1 -17 25 31 o 41.84114 5.384758 92.67084       21.54270 78.03000       30.79838 106.6962       30.14410 36.17941 8.785664 43.64853 7.313994 -7.469120      11.43164 
1 1 1 -17 25 32 o 24.74235 7.159787 34.80172       18.32559 54.89720       25.03240 11.59416       26.90097 30.47440 8.209112 19.71992 8.269650 10.75449       11.65232 
1 1 1 -17 25 33 o 14.80648 6.428996 0.8383311      17.30052 2.039614       23.57464 -0.5636783     25.46818 17.10518 7.464807 17.23003 7.629873 -0.1248474     10.67419 
1 1 1 -17 25 34 o 56.50342 4.030188 163.6171       22.14346 169.0636       32.00307 158.6146       30.67058 56.02584 5.925441 54.30466 5.862864 1.721184       8.335708 
1 1 1 -17 25 35 o 42.40201 5.027322 95.12659       20.45999 95.47132       29.25060 94.79636       28.62900 40.62307 7.636504 40.60160 7.479221 0.2146912E-01  10.68901 
1 1 1 -17 25 36 o 17.84809 7.005300 13.62088       17.86596 37.58202       25.05316 -11.17325      25.48493 25.06291 8.533707 15.54890 7.176520 9.514009       11.15018 
1 1 1 -17 25 37 o 21.50326 7.242783 26.03092       18.04387 18.69740       24.96110 34.05732       26.11368 20.39157 8.189906 24.09111 8.673761 -3.699541      11.92932 
1 1 1 -17 25 38 o 36.60991 5.738822 73.33779       19.88962 54.45105       27.20343 95.03030       29.15413 29.46002 8.777797 40.21170 7.687086 -10.75169      11.66795 
1 1 1 -17 25 39 o 17.72323 7.048018 12.98944       18.30143 6.376461       24.60514 21.17875       27.38110 17.87586 7.714331 21.23793 8.560955 -3.362072      11.52393 
1 1 1 -17 25 40 o 20.66861 7.761898 22.51035       21.27641 17.82814       24.87308 35.28000       41.07653 20.09870 8.138751 25.05646 10.33847 -4.957758      13.15763 
1 1 1 -17 25 41 o 13.07287 6.048961 -10.13895      18.27334 -12.16829      23.89233 -7.278888      28.36403 14.80614 6.873713 16.75393 7.673194 -1.947794      10.30174 
1 1 1 -17 25 42 o 13.64722 6.289601 -9.330729      19.47274 -15.85000      26.61210 -1.817341      28.56916 15.20617 7.123629 17.51322 7.893760 -2.307052      10.63285 
1 1 1 -17 25 43 o 18.03256 7.155858 14.20807       18.82755 -7.313587      24.39419 45.91599       29.60958 15.55765 7.121810 26.68144 9.269974 -11.12379      11.68985 
1 1 1 -17 25 44 o 43.84237 4.991837 102.8950       21.04093 80.47684       28.13153 131.3610       31.69975 36.25303 8.128747 47.78141 6.984133 -11.52837      10.71703 
1 1 1 -17 25 45 o 24.21464 7.372449 35.26395       19.04027 41.42065       25.32827 27.26366       28.87252 25.57693 8.580859 22.27591 8.854460 3.301029       12.33015 
1 1 1 -17 25 46 o 21.12459 7.742539 25.56733       20.93428 26.67268       24.19922 22.28000       41.73233 21.63018 8.242641 22.58964 9.893368 -0.9594517     12.87711 
1 1 1 -17 25 47 o 25.46778 7.786982 40.76703       21.21200 33.36736       24.28390 64.59000       43.57225 23.12565 8.359317 28.73236 11.03269 -5.606703      13.84190 
1 1 1 -17 26 1  o 34.44125 5.015492 60.70195       16.41194 -2.593504      34.14159 79.72329       18.71621 20.40461 8.942124 39.58156 4.937898 -19.17695      10.21491 
1 1 1 -17 26 2  o 97.51847 3.596050 472.2868       34.26686 430.6000       67.56571 486.7223       39.75967 90.79980 7.673910 98.77593 4.121361 -7.976128      8.710597 
1 1 1 -17 26 3  o 87.19813 3.282924 376.8214       27.97035 326.6750       46.67162 404.9262       34.94007 80.01062 6.003124 90.13913 3.969819 -10.12851      7.197011 
1 1 1 -17 26 4  o 24.01935 6.342720 30.47292       15.13030 -11.39703      33.77443 40.98539       16.92346 19.10706 8.600039 27.83826 6.351492 -8.731199      10.69122 
1 1 1 -17 26 5  o 66.69676 3.467535 221.0436       22.55994 206.4854       40.36753 227.6557       27.20491 63.21259 6.622302 67.47600 4.138915 -4.263409      7.809321 
1 1 1 -17 26 6  o 55.25869 3.734813 152.3160       20.08245 129.5977       38.40088 160.8684       23.56122 49.17414 8.271377 56.63073 4.282228 -7.456589      9.314137 
1 1 1 -17 26 7  o 20.49850 6.565732 21.25265       14.90200 11.27811       33.93817 23.63511       16.58650 22.45478 9.342888 21.56549 6.928812 0.8892899      11.63177 
1 1 1 -17 26 8  o 30.99143 5.571733 49.93341       16.28069 12.59625       34.14531 60.91939       18.52166 22.70990 9.403376 34.25838 5.725296 -11.54848      11.00920 
1 1 1 -17 26 9  o 84.97533 3.915109 360.1475       32.47688 315.9766       45.75441 405.0000       46.10608 78.59351 5.992764 89.44324 5.289910 -10.84974      7.993521 
1 1 1 -17 26 10 o 109.6126 3.957860 599.1165       42.39491 563.3684       56.76693 644.2000       63.74967 105.3680 5.523313 112.4812 5.809866 -7.113167      8.016329 
1 1 1 -17 26 11 o 49.23046 4.177415 121.7865       19.94029 71.12260       36.05117 144.1181       23.93483 35.55176 9.962719 53.43372 4.621630 -17.88196      10.98250 
1 1 1 -17 26 12 o 23.97610 8.411589 28.20038       24.41407 31.22064       32.41300 24.24000       37.11639 25.88693 9.608340 25.30333 10.04528 0.5836010      13.90064 
1 1 1 -17 26 13 o 73.99958 5.200257 277.8882       37.42712 291.6000       54.92233 266.0000       51.13975 74.31442 7.660008 71.08224 7.461144 3.232178       10.69319 
1 1 1 -17 26 14 o 51.57323 6.392940 138.4771       31.58190 164.7000       48.02779 118.5000       41.91979 54.62130 9.317045 45.98492 9.622661 8.636379       13.39414 
1 1 1 -17 26 15 o 92.50504 4.874542 432.5213       43.98149 460.4000       65.87550 410.1000       59.07686 93.69699 7.238867 88.70985 6.856795 4.987137       9.970798 
1 1 1 -17 26 16 o 54.00590 4.732917 147.9337       24.76672 119.0197       37.74234 169.8000       32.82176 46.56525 8.597214 57.33553 5.934000 -10.77028      10.44626 
1 1 1 -17 26 17 o 43.25265 4.940137 95.65495       20.54036 72.09511       35.84631 107.1723       25.06306 35.46729 9.932688 45.47984 5.758923 -10.01254      11.48144 
1 1 1 -17 26 18 o 43.79196 5.527227 99.25662       23.16559 9.269000       62.59621 113.5371       24.93605 27.29959 12.03084 46.86853 5.542634 -19.56894      13.24621 
1 1 1 -17 26 19 o 93.81838 4.020242 442.0411       36.83310 320.7000       75.77611 479.5800       42.14721 74.38380 10.71630 97.46405 4.429501 -23.08025      11.59567 
1 1 1 -17 26 20 o 19.49252 7.712544 13.72114       21.81089 28.21000       60.34795 11.54419       23.39211 28.70706 12.22813 19.41608 7.881623 9.290985       14.54810 
1 1 1 -17 26 21 o 22.41575 7.357972 26.48908       18.64906 -3.954866      29.27679 47.27669       24.19219 18.32391 8.143740 28.99387 8.174109 -10.66996      11.53848 
1 1 1 -17 26 22 o 16.08253 6.774894 4.087101       18.18348 26.61144       28.81879 -10.81123      23.43788 23.69104 9.002862 15.37619 7.016714 8.314853       11.41428 
1 1 1 -17 26 23 o 24.68664 7.394904 33.71357       19.26762 1.911986       28.76814 59.58336       25.94681 18.91961 8.251584 32.29164 8.196218 -13.37203      11.63042 
1 1 1 -17 26 24 o 29.37946 7.067153 48.06534       20.07431 35.41205       29.15521 59.47124       27.68085 25.54142 9.168840 31.95901 8.642566 -6.417585      12.60006 
1 1 1 -17 26 25 o 50.83150 5.730216 136.3325       28.01460 62.30000       58.80459 158.0678       31.86272 31.90517 12.65113 54.53729 6.071568 -22.63213      14.03264 
1 1 1 -17 26 26 o 59.90431 6.888326 195.1575       39.65612 184.5000       63.14056 202.1000       50.96114 52.59776 12.45730 58.87696 9.138895 -6.279198      15.45004 
1 1 1 -17 26 27 o 20.76534 8.821788 10.93677       31.26480 -36.13000      57.36021 30.83000       37.29118 21.29227 10.11934 25.18145 10.04528 -3.889174      14.25863 
1 1 1 -17 26 28 o 41.02875 5.388971 89.02069       21.11944 36.48780       28.42793 153.7273       31.55032 25.45704 9.063370 53.53108 6.131855 -28.07404      10.94277 
1 1 1 -17 26 29 o 25.61055 7.362732 37.30026       19.43851 21.22266       26.17695 57.06428       29.02326 21.62132 8.481565 30.76121 9.041550 -9.139896      12.39704 
1 1 1 -17 26 30 o 43.68134 5.514647 101.4248       23.05421 88.97000       34.48735 111.4870       30.99820 38.20389 9.309108 44.53037 7.369231 -6.326477      11.87287 
1 1 1 -17 26 31 o 53.97685 4.278831 149.9634       22.42196 131.0226       31.26989 170.0079       32.16805 48.72963 6.735758 56.26870 5.929562 -7.539074      8.973860 
1 1 1 -17 26 32 o 13.07344 5.994171 -8.695844      17.37338 -6.585161      23.99525 -11.02147      25.18743 15.82995 7.175047 15.60213 7.177006 0.2278185      10.14843 
1 1 1 -17 26 33 o 23.12802 7.262928 30.40520       18.31295 14.61150       26.34764 45.16591       25.47144 20.03662 8.274869 27.38595 8.560647 -7.349331      11.90622 
1 1 1 -17 26 34 o 16.34384 6.794181 7.350549       17.92432 11.28264       25.66560 3.606769       25.04349 19.15484 8.057875 17.63878 7.695829 1.516062       11.14249 
1 1 1 -17 26 35 o 38.49169 5.397925 79.88097       19.77941 66.83661       28.03177 92.81522       27.91322 32.89107 8.608438 40.03798 7.394829 -7.146912      11.34851 
1 1 1 -17 26 36 o 26.63859 7.020087 41.35407       18.55874 50.89138       26.26514 31.84449       26.22694 28.56982 8.650832 23.50029 8.657272 5.069532       12.23868 
1 1 1 -17 26 37 o 12.68073 5.895806 -11.36293      17.67943 -19.78944      24.71360 -2.530564      25.30175 14.21312 6.721747 16.61558 7.464025 -2.402464      10.04458 
1 1 1 -17 26 38 o 15.07608 6.572744 1.465771       18.23785 -9.593063      25.28853 13.45176       26.32726 15.60483 7.183028 19.50422 8.180212 -3.899384      10.88631 
1 1 1 -17 26 39 o 37.15228 6.736124 78.66988       23.59457 100.6891       28.85595 34.25000       40.98481 41.59465 7.356553 24.84433 10.29605 16.75031       12.65415 
1 1 1 -17 26 40 o 15.30169 6.674037 1.800917       18.82202 9.445975       25.32501 -7.633138      28.13251 18.49626 7.901323 16.62764 7.625217 1.868616       10.98066 
1 1 1 -17 26 41 o 19.59485 7.604808 18.82024       20.86361 17.49000       30.52363 19.98672       28.58308 20.87023 8.783935 21.02580 8.644439 -0.1555710     12.32412 
1 1 1 -17 26 42 o 16.57789 7.180757 4.567075       21.47681 10.78598       25.27868 -11.57000      40.72019 18.65206 7.928530 19.00061 8.872018 -0.3485527     11.89850 
1 1 1 -17 26 43 o 20.74824 7.787583 23.36723       21.41125 28.84742       25.15092 8.939000       40.80964 22.43084 8.435815 21.13976 9.489237 1.291080       12.69679 
1 1 1 -17 26 44 o 22.15878 7.835711 28.92937       21.21654 38.58439       24.80227 2.591000       40.96467 24.80047 8.489793 20.30713 9.270520 4.493340       12.57057 
1 1 1 -17 26 45 o 17.67341 7.220996 12.64677       19.78828 24.11495       22.51266 -26.32000      41.49796 20.84377 7.948469 17.62893 8.441119 3.214836       11.59442 
1 1 1 -17 26 46 o 14.97004 6.687944 -0.7271779     20.01302 21.70400       22.93990 -72.19000      40.94543 20.15717 7.930001 14.53002 7.237289 5.627150       10.73607 
1 1 1 -17 26 47 o 20.43470 8.788014 18.22199       31.71763 47.80000       48.62580 -3.682000      41.84504 25.61572 10.94578 19.29499 9.004271 6.320730       14.17346 
1 1 1 -17 27 1  o 38.43332 4.507712 74.89662       16.63592 -11.53000      56.12788 83.22034       17.41861 24.55579 11.06653 40.55158 4.461979 -15.99579      11.93220 
1 1 1 -17 27 2  o 82.57716 3.686706 339.5429       29.72407 355.1000       70.64063 336.1958       32.76595 81.11547 9.051067 82.00483 4.094994 -0.8893585     9.934324 
1 1 1 -17 27 3  o 44.57374 5.531088 101.9908       23.61465 113.8000       59.74918 99.80460       25.70771 43.40437 13.02690 43.84805 6.159302 -0.4436722     14.40962 
1 1 1 -17 27 4  o 125.3134 3.830085 782.1831       46.92475 760.0000       88.82129 790.7717       55.26707 120.5235 7.567226 125.5832 4.503315 -5.059723      8.805837 
1 1 1 -17 27 5  o 90.04013 3.612180 403.3739       31.77089 365.7000       63.76351 415.8159       36.64349 83.18133 7.927153 91.19959 4.115458 -8.018265      8.931783 
1 1 1 -17 27 6  o 62.56072 3.619247 195.0868       22.06826 117.6251       39.43128 230.4153       26.62935 46.26253 9.031959 67.86446 4.026881 -21.60193      9.888986 
1 1 1 -17 27 7  o 55.68323 3.806101 155.0127       20.62015 114.5126       38.24340 171.6127       24.48398 45.69900 8.869513 58.43207 4.311155 -12.73307      9.861760 
1 1 1 -17 27 8  f 53.21883 4.418432 142.7549       22.80913 129.9560       38.63969 149.6000       28.25774 49.00113 8.355473 54.10706 5.407906 -5.105927      9.952857 
1 1 1 -17 27 9  f 64.02483 4.250706 205.8892       26.48802 155.2887       40.38224 244.1000       35.09186 53.87894 7.890983 69.30494 5.211089 -15.42600      9.456376 
1 1 1 -17 27 10 o 30.72708 5.828206 49.57023       16.88802 56.88058       34.45372 47.25838       19.37523 31.89525 9.954197 29.68311 6.813028 2.212141       12.06248 
1 1 1 -17 27 11 o 42.39082 4.602718 91.28799       18.79203 43.00496       36.74635 108.3874       21.86789 28.78189 10.29808 46.11576 4.920447 -17.33387      11.41321 
1 1 1 -17 27 12 o 49.32427 4.516613 123.1589       21.56439 144.5000       48.91267 118.0101       24.02535 50.34456 10.27393 48.01938 5.194060 2.325180       11.51225 
1 1 1 -17 27 13 o 30.48259 9.289469 51.75163       30.22012 62.01000       45.66777 43.76000       40.30774 33.12830 11.51228 29.19045 10.73611 3.937853       15.74156 
1 1 1 -17 27 14 o 76.15211 4.657760 293.2021       34.55276 273.4519       44.38012 323.6000       55.05844 72.57403 6.310087 78.27764 7.268926 -5.703613      9.625720 
1 1 1 -17 27 15 o 65.35512 4.934076 217.4071       31.33084 210.2094       40.92418 227.6000       48.70045 63.24569 6.713035 65.08115 7.800102 -1.835457      10.29109 
1 1 1 -17 27 16 f 33.66451 8.060308 62.98811       26.20792 50.16567       34.30607 80.96000       40.61464 29.90852 9.985746 36.96161 10.64777 -7.053091      14.59760 
1 1 1 -17 27 17 o 44.22076 5.113809 100.7673       21.72745 43.55000       41.98258 121.6989       25.39255 28.90574 10.89288 48.49114 5.443694 -19.58540      12.17738 
1 1 1 -17 27 18 o 9.398097 4.719873 -54.37084      19.13422 -24.51677      29.81378 -75.28000      24.95075 15.96613 7.498816 10.43432 5.259676 5.531816       9.159500 
1 1 1 -17 27 19 o 43.02583 5.949255 97.61491       24.38547 -48.53000      60.41301 126.0611       26.65326 21.59286 10.29676 49.14079 5.643487 -27.54793      11.74190 
1 1 1 -17 27 20 o 45.45098 5.712118 108.4818       24.85257 50.85000       60.42871 120.2143       27.26517 30.98236 12.63386 47.73364 5.965362 -16.75129      13.97140 
1 1 1 -17 27 21 o 56.27521 4.931619 163.3876       26.89091 191.8000       63.59906 157.2023       29.67390 54.56180 12.21350 54.78400 5.612962 -0.2222023     13.44153 
1 1 1 -17 27 22 o 20.75285 7.431293 21.53412       19.13914 32.26015       29.50053 13.73807       25.15057 24.81187 9.174376 20.04235 8.158902 4.769516       12.27749 
1 1 1 -17 27 23 o 21.56522 7.602931 24.01398       19.96291 24.56588       28.90602 23.51074       27.60270 22.98888 8.943141 22.55928 8.749444 0.4295921      12.51130 
1 1 1 -17 27 24 o 30.32454 7.333284 51.92216       21.52609 50.97553       30.03228 52.92235       30.86996 29.27605 9.314743 29.74315 9.441459 -0.4670944     13.26294 
1 1 1 -17 27 25 o 65.80850 4.938961 224.5215       31.58229 182.2000       62.59672 238.9736       36.57938 51.96889 12.46594 67.37772 5.596919 -15.40883      13.66474 
1 1 1 -17 27 26 o 33.60556 7.399161 63.99406       23.67887 27.35429       29.14795 135.1000       40.60548 23.42962 9.016621 47.87402 8.995384 -24.44440      12.73642 
1 1 1 -17 27 27 o 30.13941 6.965499 51.09971       20.13702 26.21104       27.97383 77.86732       29.01054 22.97935 8.835792 36.49588 8.308012 -13.51653      12.12824 
1 1 1 -17 27 28 o 33.87643 6.871789 64.17188       22.00612 46.75000       33.17554 77.86038       29.40686 27.87534 9.803389 36.33265 8.431853 -8.457306      12.93068 
1 1 1 -17 27 29 o 38.15049 6.164357 79.42953       22.23481 12.91000       33.34057 132.7121       29.83947 21.23289 9.068022 49.36677 6.319952 -28.13387      11.05309 
1 1 1 -17 27 30 o 35.24107 6.107857 67.98016       20.30591 50.52798       28.28928 86.52894       29.16451 28.76429 9.026168 38.51152 7.998521 -9.747225      12.06018 
1 1 1 -17 27 31 o 16.83844 6.944686 8.468844       18.52417 7.103420       26.81633 9.715055       25.61894 18.76731 8.075854 18.94439 8.014165 -0.1770878     11.37745 
1 1 1 -17 27 32 o 32.93536 6.362180 60.44733       19.76793 14.29391       28.78329 101.6517       27.19631 20.38323 8.551355 42.63730 6.740274 -22.25408      10.88839 
1 1 1 -17 27 33 o 27.47602 7.028254 43.73204       18.97583 42.42778       27.84696 44.86270       25.92750 26.29643 8.995977 27.03603 8.660540 -0.7395973     12.48730 
1 1 1 -17 27 34 o 17.20945 7.008986 10.57110       18.57118 31.91604       27.35992 -7.665375      25.28935 23.61617 8.815598 15.91111 7.271394 7.705056       11.42751 
1 1 1 -17 27 35 o 26.11499 7.376277 40.40673       19.68114 52.62854       29.27068 30.32188       26.58885 28.63530 9.204846 23.10420 8.676892 5.531101       12.64981 
1 1 1 -17 27 36 o 19.80417 7.340202 20.34959       18.90409 20.52688       27.92454 20.19960       25.68454 21.16043 8.603390 20.75876 8.317913 0.4016647      11.96687 
1 1 1 -17 27 37 o 23.31659 7.435806 31.96707       19.12930 45.14251       27.22664 19.12264       26.88247 26.75285 8.895050 20.64780 8.423948 6.105049       12.25091 
1 1 1 -17 27 38 o 21.91932 7.875172 27.26395       21.51341 10.15369       26.67972 59.07000       36.37540 18.92112 8.097028 29.38394 10.27045 -10.46283      13.07838 
1 1 1 -17 27 39 o 13.89645 6.313930 -5.823767      18.71919 -13.86700      25.86088 3.028672       27.13061 15.18892 7.084965 17.83232 7.886817 -2.643403      10.60182 
1 1 1 -17 27 40 o 44.14460 6.676188 110.6765       27.94767 132.0000       36.02177 78.43000       44.29729 46.76452 8.166411 32.42350 11.33370 14.34102       13.96936 
1 1 1 -17 27 41 o 17.51933 7.355483 9.691286       21.32092 -10.73061      24.88461 66.07000       41.34665 15.21706 7.047324 30.08964 10.90337 -14.87258      12.98261 
1 1 1 -17 27 42 o 34.46635 6.748793 68.62002       21.95301 45.21412       25.32397 139.4000       44.03766 26.70053 8.559762 45.50451 10.14581 -18.80398      13.27430 
1 1 1 -17 27 43 o 25.48621 7.710360 39.95310       20.87116 54.32965       24.22110 -1.505000      41.13118 29.39689 8.139605 19.86249 9.149339 9.534407       12.24596 
1 1 1 -17 27 44 o 15.67395 7.441787 -20.52749      30.86920 -13.36000      47.81454 -25.65000      40.42199 19.73043 9.336562 17.43109 8.342242 2.299343       12.52056 
1 1 1 -17 27 45 o 16.69222 6.890959 10.41497       18.26199 23.97779       20.42267 -43.70000      40.79399 20.46914 7.621217 16.08365 7.857199 4.385481       10.94617 
1 1 1 -17 27 46 o 15.13621 6.440895 5.723975       16.71330 8.769393       18.30382 -9.550000      40.99156 16.25098 6.818591 18.58658 8.749317 -2.335604      11.09251 
1 1 1 -17 28 1  o 31.25437 5.309248 50.74438       15.66193 18.92000       53.21201 53.76284       16.38785 27.16342 11.52315 32.16222 5.396549 -4.998808      12.72421 
1 1 1 -17 28 2  o 59.88015 3.556524 178.9240       20.75172 148.0000       60.32025 183.0753       22.10074 49.41712 12.47177 60.50875 3.749919 -11.09163      13.02333 
1 1 1 -17 28 3  o 37.04125 4.693780 70.04433       16.63669 84.40000       57.24353 68.71989       17.38720 37.60243 12.89699 36.58983 4.984155 1.012604       13.82658 
1 1 1 -17 28 4  o 56.39315 3.617791 158.8848       19.86457 110.3000       60.28367 164.8028       21.03965 42.20815 13.16616 57.38935 3.766238 -15.18120      13.69424 
1 1 1 -17 28 5  f 44.08354 4.171501 98.05975       17.78599 114.4000       58.92461 96.42177       18.65615 43.04942 12.94041 43.62763 4.430083 -0.5782127     13.67772 
1 1 1 -17 28 6  o 28.33420 6.391184 42.86414       17.30196 36.84000       56.12794 43.49668       18.18766 29.90145 12.18242 28.47412 6.647078 1.427330       13.87786 
1 1 1 -17 28 7  o 37.08080 6.174034 72.27063       21.62150 95.16000       57.62362 68.52000       23.32578 39.42635 12.93349 35.79233 6.908170 3.634022       14.66281 
1 1 1 -17 28 8  o 37.72405 5.511330 73.79153       19.75014 30.77983       34.00834 95.68000       24.26050 25.81776 9.787148 42.86703 5.941428 -17.04927      11.44940 
1 1 1 -17 28 9  o 62.95206 3.755746 198.3224       23.03740 134.1599       40.64901 228.6824       27.96151 49.33904 8.736616 67.40687 4.259680 -18.06783      9.719740 
1 1 1 -17 28 10 o 31.73684 6.086455 53.31481       18.21982 -29.97000      45.53585 69.18993       19.88059 20.10188 9.384834 36.38357 5.775074 -16.28169      11.01937 
1 1 1 -17 28 11 o 28.79328 6.412216 44.46044       17.60808 50.11000       45.66321 43.47366       19.08397 30.65220 11.39919 28.31243 6.940775 2.339771       13.34600 
1 1 1 -17 28 12 o 29.99073 6.304235 48.13376       17.91804 39.02305       36.54348 51.01737       20.55901 27.62205 10.21141 30.64041 7.007573 -3.018360      12.38463 
1 1 1 -17 28 13 o 19.34363 7.063811 17.07389       17.40062 51.43715       34.75144 5.575621       20.10212 30.15839 10.04993 17.16486 7.169921 12.99353       12.34540 
1 1 1 -17 28 14 o 42.38759 7.095521 96.91897       28.39979 76.60593       36.58970 127.7000       45.04151 36.10172 10.00741 46.74667 10.13626 -10.64494      14.24402 
1 1 1 -17 28 15 o 29.08911 8.662204 47.85056       26.49775 77.60612       34.14608 2.807000       42.01197 36.50959 9.474152 22.45158 9.876678 14.05801       13.68606 
1 1 1 -17 28 16 o 13.01368 6.271866 -32.09307      23.77543 -26.49381      31.55141 -39.45000      36.16611 16.27258 7.664980 16.48466 7.889721 -0.2120819     10.99998 
1 1 1 -17 28 17 o 23.16935 8.479001 26.77337       25.09139 13.32363       33.17156 44.76000       38.36047 21.91384 9.185919 28.46741 10.47299 -6.553564      13.93071 
1 1 1 -17 28 18 o 19.77943 7.333084 18.13655       18.86984 -11.64698      32.41752 33.39946       23.20654 18.07674 8.250232 24.68901 8.212237 -6.612272      11.64075 
1 1 1 -17 28 19 o 34.11865 7.666821 65.65474       24.97861 0.000000       0.000000 65.65474       24.97861 ?        ?        34.11865 7.666821 ?              ?        
1 1 1 -17 28 20 o 47.06076 7.034091 121.1810       31.40938 70.06000       59.86369 140.6000       36.89584 33.05557 12.86696 50.20433 7.757928 -17.14876      15.02478 
1 1 1 -17 28 21 o 27.32980 8.326900 43.00486       24.28352 51.84000       57.01150 41.04667       26.84000 30.22426 12.29135 26.74438 8.829504 3.479883       15.13398 
1 1 1 -17 28 22 o 17.87879 7.219627 10.79203       19.51104 -12.35583      28.12489 32.26733       27.08976 16.56083 7.605519 24.42997 8.829289 -7.869144      11.65334 
1 1 1 -17 28 23 o 20.59169 8.100870 18.17911       23.93894 -0.4103117     28.51699 62.54000       44.05254 18.27287 8.083541 31.35038 11.26845 -13.07751      13.86801 
1 1 1 -17 28 24 o 20.70097 7.996804 19.54067       22.98974 9.769464       28.17901 38.99000       39.75612 19.79968 8.391827 26.74074 10.46349 -6.941067      13.41296 
1 1 1 -17 28 25 o 40.85527 6.159820 90.38834       23.86827 74.71906       28.95646 123.6000       42.15667 35.62337 8.435478 44.82095 9.875912 -9.197575      12.98811 
1 1 1 -17 28 26 o 49.87901 5.743258 132.7426       27.52903 66.18000       54.90199 155.0989       31.81799 31.54808 12.31019 53.62175 6.174739 -22.07367      13.77201 
1 1 1 -17 28 27 o 40.66973 5.818977 89.09418       22.50518 69.65000       33.49332 105.0991       30.38718 33.29859 9.692288 43.03032 7.486284 -9.731728      12.24683 
1 1 1 -17 28 28 o 44.85403 4.854600 105.4242       20.97451 89.27022       29.48404 121.9751       29.84412 39.16118 7.963299 46.98679 6.676713 -7.825607      10.39195 
1 1 1 -17 28 29 o 18.79632 7.088062 16.75368       17.78298 -10.37025      24.51324 46.88573       25.83680 15.43996 7.094311 27.83105 8.609443 -12.39109      11.15579 
1 1 1 -17 28 30 o 14.53745 6.439041 -1.844819      18.14906 -5.433411      26.38109 1.379748       25.00728 16.67621 7.544460 17.30938 7.617110 -0.6331692     10.72097 
1 1 1 -17 28 31 o 18.03571 7.110340 13.73689       18.47703 -1.727772      26.53218 28.29918       25.74647 17.17757 7.685480 22.75729 8.540077 -5.579725      11.48910 
1 1 1 -17 28 32 o 10.36735 5.078291 -29.78947      17.38493 -34.74076      25.43444 -25.44783      23.81717 13.00762 6.320697 13.31845 6.381886 -0.3108301     8.982186 
1 1 1 -17 28 33 o 20.73789 7.341415 23.63215       18.62845 31.73849       27.70906 16.94670       25.16371 23.52616 8.852999 19.99423 8.152881 3.531931       12.03516 
1 1 1 -17 28 34 o 20.37204 7.421819 22.32299       19.19268 -5.359326      28.11874 46.46913       26.26143 16.95723 7.717823 27.22962 8.715475 -10.27239      11.64149 
1 1 1 -17 28 35 o 25.01056 7.361541 36.99846       19.22836 30.31309       28.24506 42.77292       26.25037 23.20157 8.889386 26.23387 8.734439 -3.032295      12.46241 
1 1 1 -17 28 36 o 18.57501 7.139030 16.58441       18.25585 15.20709       26.25188 17.87424       25.40432 19.73616 8.214841 20.11684 8.195941 -0.3806763     11.60418 
1 1 1 -17 28 37 o 23.63071 7.880885 33.36905       21.36883 30.78639       26.63919 38.03000       35.78693 23.07091 8.680682 25.03167 9.887065 -1.960766      13.15706 
1 1 1 -17 28 38 o 20.34397 7.366376 22.62369       18.86777 14.53443       26.10240 31.47505       27.30429 19.54639 8.167868 23.25208 8.779721 -3.705683      11.99156 
1 1 1 -17 28 39 o 15.76116 7.135302 -4.218696      23.64476 -5.377000      29.17101 -2.000000      40.37283 17.12643 7.820219 19.90492 9.130559 -2.778490      12.02177 
1 1 1 -17 28 40 o 25.37134 7.847193 39.48865       21.46540 36.08145       25.17213 48.57000       41.09566 24.19788 8.536913 26.77835 10.58938 -2.580465      13.60198 
1 1 1 -17 28 41 o 17.62634 8.057269 -4.458382      31.07659 -27.85000      50.39156 9.898000       39.47755 19.33536 9.269778 20.97489 9.380302 -1.639528      13.18783 
1 1 1 -17 28 42 o 29.92359 9.767035 62.25600       32.88078 78.86000       52.89606 51.80000       41.97586 30.76697 12.06041 27.02687 10.69760 3.740103       16.12117 
1 1 1 -17 28 43 o 12.83192 5.938011 -8.982130      17.61512 -7.566381      19.64512 -14.79000      39.78963 13.79573 6.343257 18.17290 8.574655 -4.377170      10.66591 
1 1 1 -17 28 44 o 18.33820 8.236082 4.446452       30.78833 27.62000       47.62685 -12.19000      40.35394 23.25739 10.35856 18.33388 8.645920 4.923512       13.49265 
1 1 1 -17 28 45 o 27.20433 11.28918 61.02000       49.36504 61.02000       49.36504 0.000000       0.000000 27.20433 11.28918 ?        ?        ?              ?        
1 1 1 -17 29 1  o 44.50327 4.088216 100.0190       17.60987 35.72000       58.48524 106.4296       18.46686 29.75906 12.31300 45.89492 4.155755 -16.13586      12.99540 
1 1 1 -17 29 2  o 33.20999 5.256954 57.30967       16.52040 36.38000       56.83486 59.24125       17.26591 29.64069 12.18831 33.71965 5.414405 -4.078960      13.33682 
1 1 1 -17 29 3  o 39.50901 4.516492 79.56794       17.15294 87.23000       58.88926 78.85762       17.93041 37.59944 13.07258 39.24322 4.765428 -1.643780      13.91408 
1 1 1 -17 29 4  f 31.92782 5.424721 53.27720       16.34729 38.04000       57.18673 54.63310       17.05913 29.85169 12.24517 32.27628 5.602781 -2.424589      13.46608 
1 1 1 -17 29 5  o 24.68517 7.102890 32.93531       18.08322 -80.85000      58.83771 44.80441       19.00297 19.58899 9.540149 28.74467 6.851330 -9.155687      11.74543 
1 1 1 -17 29 6  o 41.37707 5.124270 88.24731       20.31065 70.10000       59.72729 90.62024       21.59777 34.60339 13.00275 41.82315 5.401805 -7.219757      14.08017 
1 1 1 -17 29 7  o 25.01213 6.475223 33.76760       15.97572 9.239000       56.70790 35.88216       16.65010 26.14223 11.48840 25.75469 6.581114 0.3875389      13.23988 
1 1 1 -17 29 8  o 63.86781 3.588603 204.2593       22.34412 28.65000       62.58913 229.9091       23.92034 29.09288 12.42460 67.75729 3.619796 -38.66440      12.94116 
1 1 1 -17 29 9  o 32.73469 5.634123 56.40626       17.40156 0.000000       0.000000 56.40626       17.40156 ?        ?        32.73469 5.634123 ?              ?        
1 1 1 -17 29 10 o 54.38123 4.067560 149.4107       21.49470 0.000000       0.000000 149.4107       21.49470 ?        ?        54.38123 4.067560 ?              ?        
1 1 1 -17 29 11 o 55.79718 3.835188 156.8235       20.81880 181.4000       64.51896 153.9671       21.99535 53.46276 12.54612 55.17225 4.102257 -1.709496      13.19976 
1 1 1 -17 29 12 o 21.75073 7.409213 24.41808       18.88593 -21.22000      56.98086 30.05037       20.01741 22.95203 10.64153 23.62231 7.613822 -0.6702843     13.08482 
1 1 1 -17 29 13 o 37.58810 5.338272 73.88424       19.08902 43.62521       32.78978 89.39694       23.47766 27.92630 9.751800 41.07494 6.017908 -13.14865      11.45918 
1 1 1 -17 29 14 o 56.77873 4.058606 163.3690       22.40759 100.2847       37.70631 197.8104       27.86084 41.27418 9.526349 62.20464 4.608514 -20.93046      10.58252 
1 1 1 -17 29 15 o 21.24562 8.419168 18.27551       26.02791 21.78906       34.04041 13.33000       40.38568 23.41072 9.506076 23.20465 9.946750 0.2060699      13.75875 
1 1 1 -17 29 16 o 62.06340 5.129337 199.6971       30.88241 169.8664       39.24654 248.2000       50.04417 55.58561 7.396702 66.93249 7.783565 -11.34688      10.73755 
1 1 1 -17 29 17 o 16.06238 7.230085 -6.339630      23.87538 0.1440493      31.57989 -14.99000      36.47684 19.28642 8.520412 18.68369 8.609878 0.6027241      12.11311 
1 1 1 -17 29 18 o 45.48516 5.031884 107.7321       22.02885 81.72414       34.10347 126.3531       28.85674 36.89177 9.414278 48.57514 6.211046 -11.68336      11.27855 
1 1 1 -17 29 19 o 56.36450 4.307180 162.5643       23.58320 85.47497       34.99098 226.7285       31.92311 37.60060 9.504107 66.15835 4.965869 -28.55775      10.72324 
1 1 1 -17 29 20 o 76.42575 5.005810 302.9611       37.24116 0.000000       0.000000 302.9611       37.24116 ?        ?        76.42575 5.005810 ?              ?        
1 1 1 -17 29 21 o 33.70113 11.47487 75.01000       45.29839 0.000000       0.000000 75.01000       45.29839 ?        ?        33.70113 11.47487 ?              ?        
1 1 1 -17 29 22 o 19.64367 8.501560 6.363539       30.05331 83.94000       55.71580 -25.47000      35.69076 34.55807 12.63679 17.23608 8.129081 17.32199       15.02566 
1 1 1 -17 29 23 o 24.60491 8.119674 34.45163       22.69878 1.879029       28.30624 93.13000       37.99225 18.47943 8.118949 38.55856 9.987267 -20.07913      12.87101 
1 1 1 -17 29 24 o 19.79111 7.456661 18.64473       19.67096 29.27895       27.23804 7.052373       28.43864 23.49366 8.790675 19.30062 8.311069 4.193039       12.09751 
1 1 1 -17 29 25 o 20.56539 7.431473 21.81974       19.19036 9.483693       26.31096 35.84147       28.05108 19.15948 8.114180 25.04134 8.993031 -5.881857      12.11258 
1 1 1 -17 29 26 o 38.38064 6.439933 81.33450       23.33745 9.697000       34.19077 143.8235       31.93305 20.83225 9.041705 51.16665 6.524178 -30.33440      11.14977 
1 1 1 -17 29 27 o 28.79505 7.036074 47.54340       19.66005 6.270051       27.03495 93.86805       28.64157 18.66595 8.070871 40.41979 7.515859 -21.75385      11.02847 
1 1 1 -17 29 28 o 36.50718 5.760514 72.38511       19.90296 38.85253       27.86767 107.2968       28.43496 25.56328 8.985416 43.74981 6.865836 -18.18653      11.30829 
1 1 1 -17 29 29 o 11.45568 5.516893 -23.37350      18.31507 -5.299719      27.32335 -38.12017      24.68064 16.89405 7.657008 12.50504 6.109517 4.389007       9.795712 
1 1 1 -17 29 30 o 28.78724 7.068251 48.18781       19.76809 15.41002       29.01677 76.57643       27.00420 20.44919 8.582944 35.84528 7.908914 -15.39609      11.67124 
1 1 1 -17 29 31 o 34.29227 6.293906 65.90919       20.34797 57.15769       30.23875 73.15118       27.50751 29.74242 9.331836 34.67158 8.229403 -4.929155      12.44212 
1 1 1 -17 29 32 o 43.59015 5.092425 101.6556       21.31905 67.12745       31.84269 129.7063       28.70087 31.97150 9.489632 48.35268 6.207122 -16.38118      11.33938 
1 1 1 -17 29 33 o 16.99669 7.012983 9.594997       18.90121 -12.99292      28.92125 26.43548       24.97216 16.22382 7.542347 22.00870 8.376505 -5.784882      11.27177 
1 1 1 -17 29 34 o 21.71399 7.479412 26.97646       19.25858 7.984101       28.53089 42.87319       26.10236 18.94243 8.240115 26.17532 8.709641 -7.232893      11.98989 
1 1 1 -17 29 35 o 16.05062 7.007779 2.608074       20.79672 -2.071140      27.51717 8.841000       31.75875 17.17367 7.743319 19.68901 8.626589 -2.515348      11.59211 
1 1 1 -17 29 36 o 29.29064 6.834692 50.01041       19.23570 50.04111       28.36064 49.98426       26.17715 27.79561 9.070781 28.03339 8.664927 -0.2377758     12.54432 
1 1 1 -17 29 37 o 18.26612 7.574499 12.20573       22.20027 15.34418       26.73182 5.230000       39.85350 19.77209 8.264229 20.58821 9.297515 -0.8161201     12.43950 
1 1 1 -17 29 38 o 20.33507 8.140381 19.98724       24.57568 50.92000       30.91625 -33.11000      40.50545 27.71617 9.478867 17.10728 8.229897 10.60889       12.55309 
1 1 1 -17 29 39 f 19.05584 8.467379 5.756315       31.63439 59.21000       51.30593 -27.03000      40.18140 28.23295 11.59173 17.43587 8.337185 10.79708       14.27854 
1 1 1 -17 29 40 o 20.73844 8.810301 17.48569       31.18306 41.96000       50.15038 2.059000       39.81580 25.86959 11.08655 20.07145 9.153982 5.798143       14.37731 
1 1 1 -17 29 41 o 14.60610 7.056982 -31.70306      30.56114 -43.45000      49.37967 -24.41000      38.90815 17.94205 8.738451 17.23972 8.232629 0.7023258      12.00569 
1 1 1 -17 29 42 o 19.44149 8.543767 10.83377       31.36386 61.10000       48.96849 -24.13000      40.84018 27.83854 11.36498 17.53564 8.390393 10.30291       14.12662 
1 1 1 -17 29 43 f 21.07494 8.847712 22.76304       30.84610 -8.137000      47.85919 44.72000       40.34335 19.79076 9.357892 25.16270 10.29918 -5.371937      13.91558 
1 1 1 -17 30 1  o 63.17994 3.627802 200.3283       22.34083 211.8000       67.64021 198.9236       23.66914 58.21597 12.25826 62.85219 3.866006 -4.636223      12.85344 
1 1 1 -17 30 2  o 40.03353 4.715869 82.37824       18.12543 46.89000       61.39168 85.76709       18.97112 30.86855 12.67759 40.80609 4.844053 -9.937544      13.57152 
1 1 1 -17 30 3  o 51.07732 4.071394 132.0500       20.18694 82.12000       62.74344 137.8153       21.32059 35.92043 13.36139 52.12598 4.214588 -16.20554      14.01033 
1 1 1 -17 30 4  o 53.04887 4.614007 143.7227       23.72047 83.74000       62.84698 153.6870       25.61502 36.12707 13.38479 54.76271 4.828022 -18.63564      14.22893 
1 1 1 -17 30 5  o 15.37713 6.511631 2.915184       16.94141 -39.43000      56.96037 7.024623       17.74443 21.53157 10.18934 16.62547 6.820526 4.906105       12.26141 
1 1 1 -17 30 6  o 45.31314 4.366722 104.7350       19.12846 69.91000       60.59760 108.5891       20.15918 33.84631 13.00709 46.07718 4.528152 -12.23088      13.77275 
1 1 1 -17 30 7  o 58.32035 3.957414 171.8621       22.45732 0.000000       0.000000 171.8621       22.45732 ?        ?        58.32035 3.957414 ?              ?        
1 1 1 -17 30 8  f 29.83168 6.324845 48.20808       17.89478 0.000000       0.000000 48.20808       17.89478 ?        ?        29.83168 6.324845 ?              ?        
1 1 1 -17 30 9  f 85.65805 3.655944 368.6688       30.58257 0.000000       0.000000 368.6688       30.58257 ?        ?        85.65805 3.655944 ?              ?        
1 1 1 -17 30 10 o 21.86412 6.916925 25.67342       16.58082 8.199000       57.82191 27.23908       17.30769 25.53112 11.38964 22.44717 7.062388 3.083948       13.40154 
1 1 1 -17 30 11 o 26.01499 6.691593 37.34672       17.13590 -81.10000      57.99905 48.67498       17.93664 18.93160 9.273829 29.90087 6.326177 -10.96927      11.22606 
1 1 1 -17 30 12 o 21.94079 6.952178 26.04727       16.74438 55.28000       56.82822 23.26805       17.52228 30.85971 12.37010 21.06555 7.137234 9.794157       14.28144 
1 1 1 -17 30 13 o 27.56177 6.701404 42.08021       17.90165 7.474000       56.95882 45.87325       18.85721 25.05983 11.23274 28.75103 6.806768 -3.691208      13.13418 
1 1 1 -17 30 14 o 39.07138 5.155493 80.00536       19.23607 7.677000       56.20416 89.60183       20.47245 24.91657 11.16410 41.37223 5.167776 -16.45567      12.30216 
1 1 1 -17 30 15 o 31.15546 6.317890 53.04463       18.60691 71.82000       55.55587 50.67244       19.74741 33.07731 12.51600 30.18552 6.842075 2.891796       14.26409 
1 1 1 -17 30 16 o 18.24827 7.619438 8.533041       22.68832 32.56000       53.63601 3.296887       25.03878 27.24784 11.56437 17.92734 7.759353 9.320494       13.92632 
1 1 1 -17 30 17 o 29.41272 8.033368 50.20200       23.77654 -2.942000      53.48606 63.29039       26.54341 23.24443 10.60439 32.93245 8.251960 -9.688017      13.43681 
1 1 1 -17 30 18 o 19.11453 7.778431 12.75888       22.84990 -30.01000      50.64347 23.69099       25.60422 20.33707 9.619205 22.10356 8.464893 -1.766489      12.81341 
1 1 1 -17 30 19 o 34.38285 7.750771 67.95375       25.45951 72.79000       53.44932 66.53442       28.95540 32.78473 12.30442 33.36522 8.757152 -0.5804939     15.10253 
1 1 1 -17 30 20 o 54.87786 5.347306 158.7202       28.35968 96.93000       57.38410 178.6892       32.62195 36.46121 12.88717 57.86644 5.839180 -21.40523      14.14833 
1 1 1 -17 30 21 o 31.96375 9.389260 63.00794       31.30661 -20.70000      52.94896 108.0000       38.81879 21.37132 10.02347 41.85590 9.669554 -20.48458      13.92732 
1 1 1 -17 30 22 o 55.19118 6.881563 168.2828       36.37061 88.37000       59.17468 216.8000       46.10794 34.66316 12.95959 61.76101 7.800714 -27.09785      15.12620 
1 1 1 -17 30 23 o 25.75667 7.673512 38.52623       20.79025 8.105366       29.36353 69.10644       29.44034 19.59356 8.441246 33.71246 8.821412 -14.11891      12.20950 
1 1 1 -17 30 24 o 17.58564 7.512228 6.061211       22.89168 11.43000       29.18706 -2.520000      36.90001 20.06275 8.523475 19.75432 8.931235 0.3084316      12.34571 
1 1 1 -17 30 25 o 15.62446 6.820510 1.044252       19.69257 -26.85000      27.94966 28.54222       27.75041 14.65809 6.993676 23.12365 8.823118 -8.465555      11.25873 
1 1 1 -17 30 26 o 28.84613 6.930906 47.67522       19.32499 37.59238       25.78071 60.60660       29.19618 25.18858 8.654574 31.17753 9.041733 -5.988951      12.51617 
1 1 1 -17 30 27 o 42.37959 4.969314 95.15307       20.22277 52.90664       27.42454 145.5024       29.93928 29.16297 8.841653 51.63176 6.037925 -22.46880      10.70660 
1 1 1 -17 30 28 o 36.25694 7.301273 76.28593       25.01446 11.00000       53.83602 94.26139       28.24900 23.56400 10.70690 40.28931 7.437112 -16.72532      13.03642 
1 1 1 -17 30 29 o 30.33034 7.976408 55.83734       23.99163 -9.909000      53.62228 72.29281       26.82654 21.55449 10.10222 34.55744 8.076665 -13.00296      12.93396 
1 1 1 -17 30 30 o 28.06635 8.153994 48.47262       23.72535 -39.40000      51.86242 71.72934       26.68088 19.06905 9.208306 34.35536 8.071935 -15.28630      12.24537 
1 1 1 -17 30 31 f 48.57091 5.719727 128.8075       26.67228 66.89000       56.45915 146.5962       30.26213 29.76862 12.18405 51.46665 6.127298 -21.69803      13.63799 
1 1 1 -17 30 32 o 12.14181 5.894268 -30.19298      21.97625 -9.686000      49.94329 -35.11695      24.47282 20.90771 9.783070 12.59562 6.138383 8.312092       11.54938 
1 1 1 -17 30 33 o 19.84087 7.833315 19.00427       22.45466 -8.305000      50.24274 25.82052       25.10100 20.94449 9.804191 21.75902 8.368961 -0.8145332     12.89037 
1 1 1 -17 30 34 o 20.27731 7.951796 20.58624       23.00274 -28.45000      49.90324 33.81602       25.92069 19.31862 9.251894 23.71408 8.627263 -4.395454      12.65019 
1 1 1 -17 30 35 o 25.38569 7.523180 38.88325       20.02557 19.60000       49.98404 42.57025       21.85635 23.48032 10.52382 26.34485 7.872373 -2.864532      13.14249 
1 1 1 -17 30 36 o 19.37026 8.165336 13.63652       26.44145 0.000000       0.000000 13.63652       26.44145 ?        ?        19.37026 8.165336 ?              ?        
1 1 1 -17 30 37 o 22.64347 8.269947 30.32520       23.85139 23.74000       51.77621 32.09909       26.87253 23.90882 10.71373 23.19546 8.720529 0.7133675      13.81418 
1 1 1 -17 30 38 o 16.68530 7.769547 -11.67957      30.88670 -36.31000      49.23670 4.302000       39.66092 18.48260 8.936599 20.26029 9.199507 -1.777687      12.82551 
1 1 1 -17 30 39 o 17.55679 8.028143 -3.842681      30.88602 5.093000       49.08408 -9.700000      39.73985 21.61655 9.970790 18.76580 8.763098 2.850750       13.27436 
1 1 1 -17 30 40 o 29.57458 9.744897 61.55670       32.69917 29.19000       51.44991 83.49000       42.35331 24.03376 10.73121 32.76780 11.09635 -8.734045      15.43657 
1 1 1 -17 30 41 o 21.85966 9.013814 26.35866       31.19872 49.32000       48.45607 10.10000       40.77480 26.02361 11.01595 20.66700 9.361760 5.356607       14.45662 
1 1 1 -17 30 42 o 28.76561 9.765736 60.45778       32.80639 12.23000       49.72915 97.62000       43.65292 21.69720 10.01802 34.64650 11.24994 -12.94930      15.06392 
1 1 1 -17 31 1  o 55.34797 3.972117 155.3685       21.37630 59.64000       63.91113 167.4266       22.68267 31.89967 12.99849 57.41982 4.061985 -25.52015      13.61838 
1 1 1 -17 31 2  o 44.02034 5.362614 101.4895       22.63034 64.98000       62.42970 107.0127       24.28183 32.54299 12.99220 45.07271 5.625949 -12.52972      14.15799 
1 1 1 -17 31 3  o 15.14027 7.265310 -35.69326      31.11595 -10.59000      58.66479 -45.52000      36.70433 23.76130 10.93857 16.01026 7.735010 7.751049       13.39712 
1 1 1 -17 31 4  o 55.78687 3.949172 157.8493       21.42535 142.6000       65.12569 159.7001       22.68829 44.80897 13.63332 56.00334 4.168769 -11.19437      14.25644 
1 1 1 -17 31 5  o 25.35762 6.783507 35.65382       17.16575 -15.63000      60.80200 40.09546       17.89367 23.63118 10.96886 26.87617 6.798174 -3.244989      12.90469 
1 1 1 -17 31 6  o 43.58014 4.898756 98.60595       20.53539 0.000000       0.000000 98.60595       20.53539 ?        ?        43.58014 4.898756 ?              ?        
1 1 1 -17 31 7  o 41.13836 5.142114 88.51315       20.25498 0.000000       0.000000 88.51315       20.25498 ?        ?        41.13836 5.142114 ?              ?        
1 1 1 -17 31 8  o 29.70132 6.247644 48.15683       17.58685 57.80000       58.29680 47.19135       18.44626 31.11280 12.50909 29.23737 6.602285 1.875427       14.14452 
1 1 1 -17 31 9  o 41.39217 4.807194 88.97247       19.11488 18.25000       58.40724 97.45580       20.22886 26.26113 11.59523 43.31755 4.854311 -17.05642      12.57035 
1 1 1 -17 31 10 o 30.21860 6.340437 49.99721       18.15505 52.85000       56.84882 49.67321       19.15828 30.28741 12.28973 29.94911 6.702874 0.3382988      13.99879 
1 1 1 -17 31 11 o 36.10761 5.515162 69.27021       18.87501 42.08000       55.75358 72.78992       20.05950 28.66925 11.95543 36.91504 5.737784 -8.245785      13.26101 
1 1 1 -17 31 12 o 50.94445 4.204665 132.7887       20.78040 174.4000       57.87634 126.6305       22.26506 51.75872 11.69974 49.50498 4.649237 2.253735       12.58965 
1 1 1 -17 31 13 o 40.37642 5.133381 85.63725       19.82989 69.22000       54.87273 88.10332       21.26715 32.37706 12.39388 40.78204 5.465070 -8.404972      13.54530 
1 1 1 -17 31 14 o 24.87947 7.158119 34.94654       18.36635 -82.09000      52.84649 51.02483       19.58733 17.52505 8.637586 30.21798 6.788383 -12.69293      10.98590 
1 1 1 -17 31 15 o 54.73228 4.142867 153.2626       22.02995 67.79000       57.17019 168.1673       23.87360 31.97270 12.53667 57.25560 4.291059 -25.28290      13.25071 
1 1 1 -17 31 16 o 31.41036 6.697917 54.99634       19.96391 17.53000       51.88866 61.50606       21.62883 24.93216 10.97186 33.15311 6.890213 -8.220947      12.95595 
1 1 1 -17 31 17 o 19.84830 8.187950 13.49985       25.75840 47.25000       50.96097 1.918393       29.85256 28.55834 11.61824 18.84660 8.306868 9.711746       14.28242 
1 1 1 -17 31 18 o 23.25671 9.566288 23.17063       35.02652 52.19000       51.83474 -1.215000      47.51645 29.29068 11.78882 22.14035 10.05957 7.150333       15.49746 
1 1 1 -17 31 19 o 15.75054 7.178165 -8.466710      24.42653 -25.51000      49.96107 -3.113078      28.00137 20.36042 9.607269 17.58936 7.880642 2.771067       12.42595 
1 1 1 -17 31 20 o 26.52786 8.349221 41.60019       24.18749 39.94000       52.15169 42.05516       27.30136 27.39550 11.50303 26.56601 8.908775 0.8294849      14.54943 
1 1 1 -17 31 21 o 14.76247 6.883062 -15.34949      24.36551 -19.72000      51.29570 -14.07607      27.68855 20.90737 9.824782 15.98532 7.413744 4.922048       12.30813 
1 1 1 -17 31 22 o 30.18629 8.334370 54.85167       25.43442 16.06000       53.97872 65.92224       28.83624 24.55099 10.97490 32.80364 8.799512 -8.252645      14.06698 
1 1 1 -17 31 23 o 31.37753 8.980906 61.26509       28.98315 0.000000       0.000000 61.26509       28.98315 ?        ?        31.37753 8.980906 ?              ?        
1 1 1 -17 31 24 o 33.26803 7.201112 63.74013       22.76816 0.000000       0.000000 63.74013       22.76816 ?        ?        33.26803 7.201112 ?              ?        
1 1 1 -17 31 25 o 28.31865 7.596673 47.51941       21.49114 61.19000       58.36689 45.37530       23.11513 29.65252 12.28762 27.42368 8.071218 2.228840       14.70137 
1 1 1 -17 31 26 o 24.71023 8.150288 36.55680       22.87125 87.56000       48.86004 22.24539       25.88191 34.10938 11.90445 21.25956 8.404742 12.84982       14.57243 
1 1 1 -17 31 27 o 33.23195 6.796836 63.41368       21.36266 20.10000       49.17391 73.48997       23.71770 23.75802 10.55683 35.65076 7.046582 -11.89274      12.69256 
1 1 1 -17 31 28 o 23.37615 7.708268 32.32187       20.45819 14.46000       50.83269 35.77425       22.34801 23.26269 10.50330 24.36470 8.057368 -1.102013      13.23784 
1 1 1 -17 31 29 o 20.70152 7.614046 23.35200       20.27350 2.803000       50.81432 27.24220       22.10940 22.06020 10.16448 21.91136 7.968334 0.1488342      12.91553 
1 1 1 -17 31 30 o 35.73203 6.413470 72.15844       21.60718 -5.024000      52.57409 87.84481       23.70139 21.64986 10.09976 39.55746 6.334936 -17.90760      11.92210 
1 1 1 -17 31 31 o 21.48211 7.661801 26.25326       20.32419 -27.43000      50.36837 36.69401       22.21285 19.47598 9.318556 24.54538 8.028767 -5.069403      12.30027 
1 1 1 -17 31 32 o 14.79914 6.593841 -1.553495      19.31752 -14.58000      49.08934 0.8333592      21.01291 20.21268 9.533142 15.76309 6.957639 4.449592       11.80210 
1 1 1 -17 31 33 o 19.50772 7.776422 17.90492       22.33245 17.71000       50.65657 17.95194       24.88085 23.29211 10.50371 19.92942 8.114249 3.362694       13.27287 
1 1 1 -17 31 34 o 15.79723 7.177190 -4.742640      24.18392 -24.52000      49.05452 1.607688       27.79668 19.36736 9.247368 17.67275 7.889586 1.694613       12.15563 
1 1 1 -17 31 35 o 38.34890 8.259725 90.86842       30.08766 0.000000       0.000000 90.86842       30.08766 ?        ?        38.34890 8.259725 ?              ?        
1 1 1 -17 31 36 o 33.20082 9.645854 75.23565       33.20090 67.29000       52.03920 80.69000       43.11591 29.20666 11.79186 32.45736 11.19067 -3.250704      16.25666 
1 1 1 -17 31 37 o 20.86676 8.863712 18.31766       31.55556 57.66000       50.53524 -6.826000      40.39973 27.84517 11.47594 19.19151 8.919383 8.653664       14.53453 
1 1 1 -17 31 38 o 15.95705 7.537726 -17.68206      30.90991 8.441000       50.01040 -33.83000      39.31941 21.88308 10.08319 16.56701 8.004442 5.316069       12.87408 
1 1 1 -17 31 39 o 19.55312 8.573404 11.61868       31.42042 24.11000       49.36519 3.112000       40.73772 23.17814 10.41778 19.98162 9.167961 3.196520       13.87738 
1 1 1 -17 31 40 o 24.84325 9.422044 42.13314       31.52701 46.36000       48.10206 38.95000       41.74296 25.44253 10.87960 24.31882 10.25583 1.123709       14.95151 
1 1 1 -17 31 41 o 16.25926 7.639102 -12.59797      30.98578 -11.66000      47.75478 -13.28000      40.72176 19.41418 9.228621 18.17040 8.603662 1.243780       12.61707 
1 1 1 -17 32 1  o 35.03404 7.591272 69.66183       25.27876 44.24000       60.72805 74.99000       27.80192 29.24532 12.35368 36.07153 8.075684 -6.826206      14.75907 
1 1 1 -17 32 2  o 28.56665 7.403619 46.38221       20.86969 -15.93000      58.90945 55.32510       22.31708 23.05564 10.73395 31.23064 7.412285 -8.175005      13.04452 
1 1 1 -17 32 3  o 68.33164 3.715112 236.1706       24.75503 175.0000       64.39674 246.7774       26.81551 50.16821 13.00681 69.70975 3.946059 -19.54155      13.59222 
1 1 1 -17 32 4  o 25.19997 7.027096 35.65322       17.98288 -49.94000      60.45400 43.96213       18.83551 20.91872 10.06112 28.00382 6.913626 -7.085108      12.20756 
1 1 1 -17 32 5  o 31.03867 6.510786 53.14409       19.14833 0.000000       0.000000 53.14409       19.14833 ?        ?        31.03867 6.510786 ?              ?        
1 1 1 -17 32 6  o 38.07675 5.287283 76.58460       19.17502 59.48000       61.22912 78.44453       20.19066 31.07024 12.69921 38.41666 5.528361 -7.346420      13.85036 
1 1 1 -17 32 7  o 28.55225 6.707426 45.49135       18.42516 25.47000       57.83791 47.75269       19.43785 26.67921 11.66662 29.16871 6.914157 -2.489500      13.56155 
1 1 1 -17 32 8  o 56.76855 4.025806 164.3560       22.22492 147.0000       60.38964 167.0750       23.90250 45.51998 12.94254 57.07148 4.310629 -11.55150      13.64151 
1 1 1 -17 32 9  o 30.90805 6.320488 52.57548       18.47610 30.91000       57.18105 55.10112       19.52335 27.11057 11.72997 31.54558 6.537778 -4.435011      13.42887 
1 1 1 -17 32 10 o 27.38454 6.990895 42.39579       18.80061 51.89000       56.87753 41.23121       19.92033 29.65270 12.19303 26.86284 7.359694 2.789864       14.24202 
1 1 1 -17 32 11 o 44.40667 6.532929 107.8383       27.54844 50.47000       59.08868 123.7713       31.13986 29.54008 12.31235 47.32530 6.927411 -17.78522      14.12739 
1 1 1 -17 32 12 o 59.23157 4.027571 179.1554       23.21195 144.8000       60.22854 185.1484       25.15518 44.76980 12.98726 60.03965 4.309042 -15.26985      13.68345 
1 1 1 -17 32 13 o 32.76575 6.358301 59.21570       19.65664 -14.77000      52.14087 71.47270       21.22250 21.69018 10.09832 36.15511 6.221146 -14.46493      11.86081 
1 1 1 -17 32 14 o 19.63622 7.301328 18.73173       18.73225 32.73000       48.56450 16.28507       20.30340 26.28831 11.07292 19.27976 7.496575 7.008554       13.37192 
1 1 1 -17 32 15 o 9.894958 4.907892 -39.39397      18.05767 -32.80000      47.78955 -40.49224      19.50360 19.35513 9.209494 10.41543 5.154419 8.939693       10.55381 
1 1 1 -17 32 16 o 39.65136 9.409660 96.93303       35.96872 125.7000       52.28648 71.09000       49.55803 42.37790 12.04088 32.15644 11.89084 10.22146       16.92262 
1 1 1 -17 32 17 f 14.85725 6.941756 -16.50623      24.99370 -10.94000      48.31221 -18.54037      29.20570 21.18700 9.814674 15.96259 7.473056 5.224403       12.33590 
1 1 1 -17 32 18 o 16.16269 7.334219 -6.608891      25.15863 -43.24000      49.44779 6.185964       29.22399 18.79146 9.053540 19.17916 8.341389 -0.3876991     12.31038 
1 1 1 -17 32 19 o 42.31250 8.342043 106.1146       33.32136 144.5000       55.48403 84.46000       41.67350 44.89509 12.27576 35.24120 10.93957 9.653889       16.44288 
1 1 1 -17 32 20 o 12.89568 6.079934 -16.98306      19.93414 16.38000       50.90818 -23.02492      21.66405 24.07204 10.71616 12.85582 6.140233 11.21622       12.35065 
1 1 1 -17 32 21 o 28.46947 7.417977 47.48679       20.87618 7.525000       56.71240 53.75043       22.45273 23.82097 10.88726 30.20635 7.601111 -6.385386      13.27815 
1 1 1 -17 32 22 o 29.26989 9.090669 53.82825       28.77319 0.000000       0.000000 53.82825       28.77319 ?        ?        29.26989 9.090669 ?              ?        
1 1 1 -17 32 23 o 29.14850 8.464241 52.41276       25.57078 70.22000       55.11949 47.52934       28.86485 30.78861 12.23543 27.47041 9.159402 3.318205       15.28399 
1 1 1 -17 32 24 o 22.16399 7.830896 27.95999       21.18686 13.43000       52.81434 30.74672       23.12952 23.53005 10.65705 23.02400 8.177499 0.5060577      13.43295 
1 1 1 -17 32 25 o 17.54437 7.259178 10.47832       20.32824 26.76000       50.48280 7.327350       22.20835 24.57789 10.81885 17.36785 7.408649 7.210043       13.11242 
1 1 1 -17 32 26 o 48.89140 5.696884 130.5389       26.75297 0.000000       0.000000 130.5389       26.75297 ?        ?        48.89140 5.696884 ?              ?        
1 1 1 -17 32 27 o 13.82197 6.424635 -11.74479      20.97057 -1.889000      51.76962 -13.67943      22.93661 21.71819 10.09473 14.25151 6.655849 7.466679       12.09148 
1 1 1 -17 32 28 o 26.21868 8.687277 43.20677       25.97519 32.27000       52.47778 46.75579       29.89410 25.22514 11.06956 26.89502 9.316024 -1.669884      14.46802 
1 1 1 -17 32 29 o 15.36446 6.799655 0.3097176E-01  20.19754 31.78000       50.10049 -6.130300      22.07049 24.87051 10.86735 14.97326 6.823649 9.897250       12.83205 
1 1 1 -17 32 30 f 22.35766 7.625439 29.39182       20.00534 93.88000       50.04668 17.12783       21.82484 34.24572 12.04103 19.25202 7.683205 14.99370       14.28349 
1 1 1 -17 32 31 o 16.06635 7.136621 0.3507908      22.45330 33.47000       50.15254 -7.951556      25.11038 24.93051 10.88369 15.61953 7.178060 9.310975       13.03761 
1 1 1 -17 32 32 f 31.80895 6.932694 59.27972       20.97431 36.93000       51.50667 63.72258       22.96460 25.40883 11.06206 32.67616 7.357626 -7.267332      13.28547 
1 1 1 -17 32 33 o 23.30778 8.573055 32.72051       25.70265 26.71000       51.44724 34.71967       29.67080 24.20270 10.77364 23.89163 9.121560 0.3110695      14.11645 
1 1 1 -17 32 34 o 30.53786 9.148590 62.10168       29.48863 0.000000       0.000000 62.10168       29.48863 ?        ?        30.53786 9.148590 ?              ?        
1 1 1 -17 32 35 o 16.84275 7.833155 -10.58091      31.24210 24.52000       49.33594 -34.08000      40.36731 23.56955 10.51723 16.84017 8.130014 6.729383       13.29321 
1 1 1 -17 32 36 o 20.00224 8.695860 13.15265       31.73382 27.32000       50.04623 3.626000       41.03905 23.87852 10.62784 20.28335 9.267002 3.595169       14.10065 
1 1 1 -17 32 37 o 20.28086 8.770638 15.69839       31.93709 -39.32000      50.38505 52.65000       41.29186 18.24325 8.871979 26.84293 10.61472 -8.599682      13.83417 
1 1 1 -17 32 38 o 23.25663 9.251071 33.96444       31.53931 2.667000       48.70247 56.57000       41.39084 20.89267 9.737948 27.25105 10.67254 -6.358387      14.44752 
1 1 1 -17 32 39 o 19.02939 8.419292 10.30131       30.94476 27.24000       46.99800 -2.662000      41.11472 22.89291 10.23669 19.16292 8.936899 3.729996       13.58889 
1 1 1 -17 32 40 o 31.37393 9.724357 72.51858       32.94329 83.23000       50.10093 64.36000       43.72495 30.10847 11.75640 27.79677 10.94431 2.311701       16.06210 
1 1 1 -17 33 1  f 25.26248 7.757166 36.65765       21.02147 -16.42000      56.43309 45.20921       22.65169 22.33521 10.43411 27.84340 7.929944 -5.508194      13.10552 
1 1 1 -17 33 2  o 29.04041 7.283679 48.19544       20.66544 -9.985000      57.76324 56.73515       22.13017 23.06672 10.70148 31.54222 7.310768 -8.475502      12.96029 
1 1 1 -17 33 3  o 44.63955 5.150831 104.8933       22.09401 0.000000       0.000000 104.8933       22.09401 ?        ?        44.63955 5.150831 ?              ?        
1 1 1 -17 33 4  o 25.16832 7.398035 36.18670       19.43048 0.000000       0.000000 36.18670       19.43048 ?        ?        25.16832 7.398035 ?              ?        
1 1 1 -17 33 5  o 26.89529 7.016480 41.07362       18.66223 -41.07000      55.96802 51.34928       19.79511 20.42468 9.785965 30.20402 6.853310 -9.779335      11.94709 
1 1 1 -17 33 6  o 37.54496 5.488121 75.28714       19.57307 24.35000       57.02063 82.09069       20.83927 26.14649 11.50411 39.16909 5.594144 -13.02260      12.79214 
1 1 1 -17 33 7  o 36.60783 5.612152 71.94553       19.46959 14.28000       56.27514 79.78640       20.75108 24.96605 11.17985 38.55038 5.668388 -13.58433      12.53474 
1 1 1 -17 33 8  o 26.99153 6.997396 41.44320       18.63878 -17.68000      54.57459 49.25003       19.83121 21.81809 10.21473 29.46470 6.983401 -7.646606      12.37371 
1 1 1 -17 33 9  o 63.02220 3.889756 202.4423       23.87815 68.85000       59.31686 228.2772       26.08502 31.70521 12.66201 66.85699 4.004358 -35.15179      13.28011 
1 1 1 -17 33 10 o 19.00447 7.206399 16.78231       18.44101 13.00000       52.02525 17.32582       19.72153 24.22379 10.80523 19.40039 7.429241 4.823399       13.11284 
1 1 1 -17 33 11 o 31.21172 6.613574 54.49812       19.57625 27.69000       51.58416 59.00867       21.15914 25.81415 11.15504 32.34454 6.894169 -6.530397      13.11352 
1 1 1 -17 33 12 o 51.22764 4.467158 135.9332       22.17586 86.75000       55.80054 145.1580       24.16619 34.36852 12.63344 52.77658 4.728045 -18.40807      13.48919 
1 1 1 -17 33 13 o 24.38587 7.581192 34.25180       20.00569 -44.28000      51.80711 48.01453       21.68796 19.24725 9.271590 28.68351 7.602946 -9.436256      11.99030 
1 1 1 -17 33 14 o 17.12012 8.009619 -18.45730      33.45694 9.029000       49.55556 -41.48000      45.35367 23.23538 10.44114 18.04441 8.687800 5.190968       13.58290 
1 1 1 -17 33 15 o 15.08120 6.688502 -1.807618      19.64489 -54.71000      48.24295 8.708263       21.50895 17.76224 8.647827 17.68663 7.404255 0.7560921E-01  11.38455 
1 1 1 -17 33 16 o 14.71652 6.628160 -4.842172      20.09886 -22.53000      48.61725 -1.196027      22.07344 20.08084 9.475904 15.99057 7.090948 4.090272       11.83530 
1 1 1 -17 33 17 o 48.01161 5.777290 124.7239       26.60550 9.539000       54.34256 161.0377       30.51251 23.73016 10.77245 54.59527 5.798313 -30.86510      12.23381 
1 1 1 -17 33 18 o 20.01465 8.610345 10.66010       30.46814 -4.184000      50.36119 19.23000       38.26544 21.82057 10.07729 22.63661 9.692247 -0.8160439     13.98183 
1 1 1 -17 33 19 o 18.07780 7.748211 7.197186       24.50050 32.99000       50.46392 -0.7576593     28.02512 25.77892 11.08558 17.70019 7.910492 8.078733       13.61859 
1 1 1 -17 33 20 o 22.84345 8.300787 29.62453       23.98630 0.000000       0.000000 29.62453       23.98630 ?        ?        22.84345 8.300787 ?              ?        
1 1 1 -17 33 21 o 15.72572 6.910719 0.9057452      20.51922 -71.58000      52.29637 14.09544       22.30810 17.38386 8.572664 18.83453 7.677728 -1.450672      11.50817 
1 1 1 -17 33 22 o 34.12679 7.868804 70.22015       25.74767 20.13000       52.49801 86.08509       29.54514 24.01952 10.77382 37.54388 8.264071 -13.52435      13.57829 
1 1 1 -17 33 23 o 21.27309 8.392609 23.09182       25.75859 48.45000       51.54200 14.64994       29.73868 27.23604 11.43580 20.25572 8.604480 6.980318       14.31134 
1 1 1 -17 33 24 o 16.83427 7.203520 6.377880       21.11388 -29.71000      51.72691 13.59255       23.12832 19.56021 9.381330 18.76571 7.751711 0.7945004      12.16957 
1 1 1 -17 33 25 o 32.37575 7.534588 62.80912       23.42760 19.29000       52.69070 73.53236       26.15513 23.75048 10.71128 34.83702 7.858011 -11.08654      13.28457 
1 1 1 -17 33 26 o 29.91937 7.672227 54.18586       22.57393 30.02000       51.03734 60.06326       25.16980 24.79035 10.89644 31.15508 8.158656 -6.364727      13.61235 
1 1 1 -17 33 27 o 22.97168 7.901207 31.46706       21.48944 73.19000       50.24945 22.12846       23.77304 30.58064 11.82016 20.69017 8.092642 9.890472       14.32504 
1 1 1 -17 33 28 o 51.67175 5.331532 144.5804       26.57896 0.000000       0.000000 144.5804       26.57896 ?        ?        51.67175 5.331532 ?              ?        
1 1 1 -17 33 29 o 25.30658 7.878305 39.44711       21.59631 -1.267000      54.75323 46.94818       23.50168 21.92962 10.25541 27.36379 8.160079 -5.434166      13.10574 
1 1 1 -17 33 30 o 15.29813 6.932297 -4.238386      22.38254 20.75000       49.99804 -10.50138      25.03080 23.41436 10.50734 15.24341 7.062474 8.170952       12.66028 
1 1 1 -17 33 31 o 13.58626 6.270894 -9.059600      19.46117 29.02000       49.32149 -16.08154      21.17964 24.22887 10.67834 13.27173 6.260213 10.95714       12.37810 
1 1 1 -17 33 32 f 27.56651 7.924634 47.37388       22.51926 0.000000       0.000000 47.37388       22.51926 ?        ?        27.56651 7.924634 ?              ?        
1 1 1 -17 33 33 o 17.02022 7.485543 4.051730       24.11871 -2.655000      51.63134 5.923720       27.27783 21.19642 9.927485 18.05525 7.949993 3.141171       12.71839 
1 1 1 -17 33 34 o 24.31965 9.455853 37.42959       32.30209 48.19000       50.20789 29.83000       42.19418 26.37763 11.19161 23.58869 10.14009 2.788940       15.10211 
1 1 1 -17 33 35 f 14.55471 7.047988 -32.72921      30.91619 -89.63000      48.73852 5.581000       39.99175 15.38690 7.699508 20.17112 9.189697 -4.784225      11.98887 
1 1 1 -17 33 36 o 21.29808 8.948355 23.02315       31.59008 54.35000       49.58459 1.621000       40.98426 26.65943 11.20653 19.77533 9.117757 6.884100       14.44714 
1 1 1 -17 33 37 o 20.58681 8.778424 19.99298       31.15860 30.32000       47.47754 12.18000       41.29610 23.34454 10.37312 20.76331 9.411777 2.581232       14.00654 
1 1 1 -17 33 38 o 17.30715 7.950256 -2.117826      30.75876 2.907000       46.36369 -6.068000      41.10793 20.30990 9.477919 18.77200 8.813079 1.537901       12.94223 
1 1 1 -17 34 1  o 24.96846 7.109177 35.65577       18.20785 -59.71000      52.98298 48.42653       19.38870 18.54876 9.037897 29.20186 6.894403 -10.65310      11.36734 
1 1 1 -17 34 2  o 13.86940 6.244414 -5.059823      17.82100 0.000000       0.000000 -5.059823      17.82100 ?        ?        13.86940 6.244414 ?              ?        
1 1 1 -17 34 3  o 24.85599 8.225233 35.90553       23.28775 0.000000       0.000000 35.90553       23.28775 ?        ?        24.85599 8.225233 ?              ?        
1 1 1 -17 34 4  o 18.51921 7.416488 13.41836       20.40773 -25.99000      51.46398 20.77147       22.23027 20.48339 9.690920 20.67012 7.894513 -0.1867294     12.49949 
1 1 1 -17 34 5  o 25.01684 7.274329 35.99893       18.87506 43.88000       53.40870 34.87412       20.17710 27.86282 11.66615 24.57628 7.609212 3.286535       13.92836 
1 1 1 -17 34 6  o 30.26893 6.600993 51.48668       19.00521 38.56000       51.83798 53.49405       20.42763 27.03793 11.41708 30.65695 6.966228 -3.619020      13.37453 
1 1 1 -17 34 7  o 27.23005 7.026578 42.51369       18.85342 -11.74000      49.79786 51.59144       20.36973 21.30120 9.900816 30.03091 7.050947 -8.729713      12.15492 
1 1 1 -17 34 8  o 26.65026 7.030817 40.79548       18.60249 -0.1930000     51.11271 47.05377       19.97221 22.53153 10.31222 28.57535 7.156764 -6.043821      12.55234 
1 1 1 -17 34 9  o 28.28852 6.903163 45.78925       18.94330 -10.61000      51.25853 54.71056       20.38655 21.55514 10.02770 30.98712 6.898708 -9.431978      12.17157 
1 1 1 -17 34 10 o 26.63009 7.199300 41.10012       19.21115 -18.38000      50.59432 51.12069       20.76644 20.76557 9.757906 29.72911 7.211129 -8.963543      12.13331 
1 1 1 -17 34 11 o 42.05846 5.328817 94.51901       21.44597 -23.32000      52.47354 118.1496       23.49810 20.69559 9.789583 47.18564 5.172309 -26.49005      11.07198 
1 1 1 -17 34 12 o 20.08747 8.824831 6.806641       33.43696 -40.66000      49.85299 45.62000       45.08038 18.93422 9.114266 27.36516 11.00089 -8.430941      14.28598 
1 1 1 -17 34 13 o 25.52596 7.665875 38.43903       20.68579 9.429000       51.00549 44.14988       22.63047 23.23110 10.50204 27.14572 7.985284 -3.914625      13.19309 
1 1 1 -17 34 14 o 34.73979 6.707582 68.31700       21.98268 43.88000       52.46476 73.52074       24.21035 27.26254 11.49753 35.73553 7.170974 -8.472988      13.55050 
1 1 1 -17 34 15 o 39.28979 6.128607 85.15557       22.80046 51.44000       53.67208 92.57982       25.18602 28.29835 11.75968 40.68559 6.546358 -12.38724      13.45901 
1 1 1 -17 34 16 f 15.76529 7.127076 -4.899364      23.49139 6.945000       51.23381 -8.052318      26.43380 22.88426 10.41634 16.21630 7.419645 6.667965       12.78872 
1 1 1 -17 34 17 o 22.16809 7.805021 27.91006       21.03303 4.468000       51.05735 32.70131       23.08261 22.49770 10.30046 23.58916 8.185349 -1.091454      13.15672 
1 1 1 -17 34 18 o 38.55954 6.244704 82.99131       22.76407 104.0000       54.51614 78.55463       25.05272 36.00415 12.57403 36.75635 7.221025 -0.7522011     14.49998 
1 1 1 -17 34 19 o 34.51542 8.920785 75.85951       30.35558 0.000000       0.000000 75.85951       30.35558 ?        ?        34.51542 8.920785 ?              ?        
1 1 1 -17 34 20 o 29.50537 8.381828 54.46894       25.33908 59.40000       49.02193 52.67113       29.59999 28.71861 11.49685 28.40409 9.266692 0.3145123      14.76648 
1 1 1 -17 34 21 o 12.59736 6.001602 -19.86212      20.42604 -41.14000      49.28649 -15.44964      22.44426 18.35464 8.890652 13.85388 6.506623 4.500764       11.01725 
1 1 1 -17 34 22 o 26.19932 8.631017 43.48670       25.65156 10.21000       52.67265 53.83262       29.36971 22.78983 10.44465 28.58590 9.223282 -5.796072      13.93412 
1 1 1 -17 34 23 o 39.26488 7.548306 91.62463       27.95721 101.5000       54.52567 88.10246       32.56340 34.88477 12.53686 36.98824 9.065767 -2.103477      15.47130 
1 1 1 -17 34 24 o 15.67624 6.956715 -0.8671558E-01 21.28482 42.77000       49.67329 -9.725333      23.55705 26.18374 11.12151 14.93978 6.896936 11.24396       13.08647 
1 1 1 -17 34 25 o 33.06816 7.448547 65.56616       23.52852 21.22000       50.18377 78.06077       26.63769 23.51590 10.54190 35.84936 7.812403 -12.33346      13.12118 
1 1 1 -17 34 26 o 62.79024 4.342035 206.5110       26.52215 149.9000       56.47409 222.5301       30.04114 43.13165 12.59441 64.75309 4.773237 -21.62144      13.46859 
1 1 1 -17 34 27 o 27.92888 7.750938 48.06989       21.93538 9.631000       50.88874 56.84165       24.30971 22.34478 10.25019 30.16267 8.074224 -7.817896      13.04835 
1 1 1 -17 34 28 o 54.14433 4.698173 155.6735       24.65315 138.0000       56.25008 159.8755       27.42776 40.68813 12.72201 54.39057 5.215654 -13.70243      13.74964 
1 1 1 -17 34 29 o 27.92540 8.278020 49.48409       24.24313 74.66000       51.20576 42.21053       27.52326 30.36141 11.87654 25.56526 8.933919 4.796146       14.86160 
1 1 1 -17 34 30 o 26.09577 7.964163 42.55945       22.20171 0.000000       0.000000 42.55945       22.20171 ?        ?        26.09577 7.964163 ?              ?        
1 1 1 -17 34 31 o 23.50185 7.892449 34.03780       21.42688 0.000000       0.000000 34.03780       21.42688 ?        ?        23.50185 7.892449 ?              ?        
1 1 1 -17 34 32 o 20.34697 8.629780 17.40918       29.83460 -60.07000      51.23498 57.16000       36.69840 17.31410 8.528080 28.15039 10.26171 -10.83629      13.34282 
1 1 1 -17 34 33 o 21.51507 9.052203 23.09596       32.39880 -20.74000      49.83374 55.19000       42.64032 19.36771 9.267348 27.20795 10.77792 -7.840244      14.21433 
1 1 1 -17 34 34 o 24.88355 9.561468 41.90858       32.74199 79.90000       51.37899 15.93000       42.48645 30.28087 11.88134 21.51979 9.669202 8.761078       15.31860 
1 1 1 -17 34 35 o 21.21453 8.933704 23.44791       31.60067 47.84000       48.04937 4.856000       41.94935 25.51326 10.89076 20.08048 9.246181 5.432781       14.28638 
1 1 1 -17 34 36 o 21.37955 8.949376 25.57126       31.41796 -31.28000      47.15933 70.94000       42.12849 17.80456 8.641221 29.19846 10.93107 -11.39391      13.93410 
1 1 1 -17 34 37 o 19.80334 8.611605 16.73455       31.13857 -1.387000      47.40236 30.49000       41.29901 19.89032 9.377064 22.61006 9.873434 -2.719740      13.61668 
1 1 1 -17 35 1  o 35.50621 8.721837 77.31977       30.08936 0.000000       0.000000 77.31977       30.08936 ?        ?        35.50621 8.721837 ?              ?        
1 1 1 -17 35 2  o 25.17639 7.210788 36.79662       18.67805 -10.06000      49.86034 44.44540       20.14493 21.26665 9.892309 27.58286 7.335013 -6.316214      12.31504 
1 1 1 -17 35 3  o 37.54896 5.669286 76.50221       20.18837 26.65000       51.18956 85.68436       21.96906 25.16868 10.99150 39.66386 5.832652 -14.49517      12.44318 
1 1 1 -17 35 4  o 24.85274 7.898460 36.43110       21.59900 -7.431000      50.73439 46.14059       23.87020 21.61828 10.02942 27.63309 8.219778 -6.014809      12.96742 
1 1 1 -17 35 5  o 14.88798 6.662139 -3.248285      19.94536 -44.09000      51.03353 4.114863       21.66883 18.88452 9.122936 16.75857 7.235822 2.125950       11.64410 
1 1 1 -17 35 6  o 16.46183 6.854742 7.530612       18.28940 -3.230000      49.36548 9.242638       19.69065 21.73001 10.01457 17.24165 7.140147 4.488359       12.29932 
1 1 1 -17 35 7  o 21.44505 7.491248 25.50332       19.35085 74.29000       49.98492 16.90252       20.98737 31.84346 11.90974 19.31748 7.589448 12.52597       14.12238 
1 1 1 -17 35 8  o 14.43326 6.452296 -3.059170      18.65948 13.28000       47.86994 -5.986537      20.26220 23.11011 10.33270 14.52446 6.587303 8.585654       12.25387 
1 1 1 -17 35 9  o 23.99545 7.542760 33.70340       19.74652 -4.811000      49.45509 41.00816       21.53786 21.52751 9.957579 26.20463 7.811060 -4.677122      12.65567 
1 1 1 -17 35 10 o 26.47883 9.698480 43.66949       32.83871 33.38000       49.99027 51.48000       43.55405 25.68598 11.03935 28.04603 10.95841 -2.360046      15.55487 
1 1 1 -17 35 11 o 33.62756 6.587864 63.97662       20.90837 12.04000       51.59844 74.17985       22.87012 23.40738 10.57411 36.18943 6.703043 -12.78206      12.51968 
1 1 1 -17 35 12 o 34.59929 6.420484 67.35087       20.94371 34.90000       51.78825 73.69584       22.89987 25.85681 11.17529 35.99266 6.747840 -10.13585      13.05451 
1 1 1 -17 35 13 f 28.29273 7.518023 47.72317       21.17291 27.56000       52.28793 51.67769       23.15629 24.94286 10.99383 29.20014 7.908248 -4.257282      13.54270 
1 1 1 -17 35 14 o 42.40482 6.486146 101.1125       26.06769 16.97000       52.93223 128.0536       29.95158 23.79259 10.73253 47.69110 6.592284 -23.89850      12.59546 
1 1 1 -17 35 15 o 19.78517 7.996399 17.49031       23.95857 -3.780000      51.08687 23.48751       27.12669 21.52479 10.01268 21.51504 8.572568 0.9756088E-02  13.18115 
1 1 1 -17 35 16 o 22.86733 7.880834 30.90245       21.38225 -44.41000      48.77505 48.81942       23.79011 18.06407 8.772006 28.03544 8.170916 -9.971376      11.98799 
1 1 1 -17 35 17 o 34.89263 7.500364 72.46716       24.85399 0.000000       0.000000 72.46716       24.85399 ?        ?        34.89263 7.500364 ?              ?        
1 1 1 -17 35 18 o 16.57708 7.346525 1.242890       23.65743 0.000000       0.000000 1.242890       23.65743 ?        ?        16.57708 7.346525 ?              ?        
1 1 1 -17 35 19 o 18.90633 7.929880 13.08566       24.74262 -2.691000      47.20838 19.06081       29.05265 20.83132 9.667873 20.75148 8.640063 0.7984352E-01  12.96605 
1 1 1 -17 35 20 o 20.32797 8.246316 19.44736       25.58726 70.83000       49.83475 1.052388       29.81767 30.16087 11.73990 18.05887 8.108358 12.10200       14.26782 
1 1 1 -17 35 21 o 19.33737 7.680799 17.62905       21.71043 0.2421000      48.27377 22.03741       24.30739 21.28923 9.844041 20.72794 8.160380 0.5612907      12.78659 
1 1 1 -17 35 22 o 26.09382 8.782848 43.65555       26.53335 7.214000       50.39471 57.63213       31.20952 22.13117 10.16992 29.20997 9.514334 -7.078804      13.92659 
1 1 1 -17 35 23 o 40.19311 7.353719 95.75740       27.86529 30.44000       50.83562 123.8123       33.31641 24.46823 10.80996 45.34968 7.785812 -20.88145      13.32194 
1 1 1 -17 35 24 f 22.43908 8.168312 29.79918       23.24107 37.49000       49.86739 27.66513       26.26839 25.23892 10.93709 22.09292 8.544397 3.146008       13.87900 
1 1 1 -17 35 25 o 40.89226 6.233065 94.54817       24.16107 137.2000       52.65660 83.17368       27.19256 41.52298 12.17148 36.97866 7.760458 4.544315       14.43501 
1 1 1 -17 35 26 o 19.67681 7.792724 19.18210       22.28598 -32.56000      50.74791 31.54496       24.80593 18.93722 9.135768 22.89083 8.421756 -3.953611      12.42531 
1 1 1 -17 35 27 o 26.90392 8.556375 46.69040       25.34337 -31.10000      51.40991 71.66360       29.12869 19.11857 9.216231 33.18251 8.818411 -14.06394      12.75552 
1 1 1 -17 35 28 o 42.84208 5.505856 100.9769       22.55567 65.90000       52.28608 108.9971       25.00169 28.75492 11.74193 44.15086 5.935496 -15.39594      13.15686 
1 1 1 -17 35 29 o 24.97553 8.050815 39.35142       22.38076 0.000000       0.000000 39.35142       22.38076 ?        ?        24.97553 8.050815 ?              ?        
1 1 1 -17 35 30 o 14.04106 6.466094 -7.973854      20.52456 0.000000       0.000000 -7.973854      20.52456 ?        ?        14.04106 6.466094 ?              ?        
1 1 1 -17 35 31 o 14.58360 6.824745 -12.85247      24.31759 -10.45000      48.97603 -13.63855      28.01484 19.97709 9.452093 15.55151 7.292950 4.425580       11.93856 
1 1 1 -17 35 32 o 17.80572 8.146105 -1.406405      31.85359 19.61000       51.49768 -14.43000      40.53908 22.72205 10.38107 18.17084 8.598075 4.551205       13.47938 
1 1 1 -17 35 33 o 20.50912 9.335715 10.02000       41.16162 0.000000       0.000000 10.02000       41.16162 ?        ?        20.50912 9.335715 ?              ?        
1 1 1 -17 35 34 o 20.43247 9.554237 3.269000       47.50084 3.269000       47.50084 0.000000       0.000000 20.43247 9.554237 ?        ?        ?              ?        
1 1 1 -17 35 35 o 16.97616 7.862793 -4.792425      30.98852 -70.99000      46.61700 47.62000       41.48016 15.49448 7.718420 25.14326 10.38316 -9.648778      12.93770 
1 1 1 -17 36 1  o 34.63237 6.134580 66.79478       20.03461 47.42000       50.19317 70.46659       21.85072 27.35738 11.37072 35.29155 6.567029 -7.934166      13.13084 
1 1 1 -17 36 2  o 15.59680 7.177916 -9.632353      25.23513 -34.81000      45.54265 1.522720       30.31426 18.26015 8.769540 18.47020 8.242792 -0.2100449     12.03530 
1 1 1 -17 36 3  o 14.37834 6.793816 -19.45598      25.14134 -44.39000      45.61176 -8.574280      30.13208 17.60292 8.532756 17.10623 7.861956 0.4966984      11.60251 
1 1 1 -17 36 4  o 14.68132 6.506205 -1.177741      18.55375 10.46000       48.59148 -3.164062      20.07477 22.69499 10.25597 14.86244 6.664701 7.832558       12.23124 
1 1 1 -17 36 5  o 21.10908 7.786909 24.21859       21.23069 -0.3484000     49.68616 29.70597       23.48238 21.76562 10.03676 22.73758 8.220046 -0.9719601     12.97327 
1 1 1 -17 36 6  o 33.98791 7.247420 67.55788       23.37438 13.31000       50.66469 82.22665       26.34576 23.19464 10.47800 37.42311 7.454213 -14.22847      12.85899 
1 1 1 -17 36 7  o 46.25838 5.205408 114.8148       23.16091 -25.43000      51.77167 149.9060       25.89690 20.00299 9.536758 53.04383 5.048580 -33.04085      10.79064 
1 1 1 -17 36 8  o 28.05845 9.903563 52.36048       33.87979 15.97000       50.59154 81.95000       45.61975 23.37888 10.52393 33.06847 11.50536 -9.689583      15.59251 
1 1 1 -17 36 9  o 15.83490 6.884726 2.887754       19.89522 -13.83000      48.35066 6.295237       21.82882 20.24831 9.522434 17.03847 7.308363 3.209843       12.00371 
1 1 1 -17 36 10 o 26.11199 7.571765 41.15000       20.47581 -65.78000      50.00444 62.69125       22.44369 17.08421 8.416813 32.61522 7.221032 -15.53100      11.08991 
1 1 1 -17 36 11 o 12.16809 5.817091 -20.57033      19.53898 -56.04000      48.11930 -13.56752      21.38096 17.21383 8.435423 13.71116 6.410913 3.502670       10.59510 
1 1 1 -17 36 12 o 23.27078 7.787230 32.37356       20.86123 20.81000       48.79113 34.96038       23.07694 23.48639 10.47095 23.98120 8.189705 -0.4948196     13.29331 
1 1 1 -17 36 13 o 27.40956 8.367043 47.24713       24.50290 82.43000       48.21891 34.99928       28.44996 32.44041 11.77192 24.01912 8.984758 8.421289       14.80892 
1 1 1 -17 36 14 o 19.63308 7.675951 19.13870       21.38049 28.98000       47.04619 16.57711       24.00230 24.17833 10.54854 19.47563 7.954524 4.702703       13.21159 
1 1 1 -17 36 15 o 35.66715 6.781202 73.66750       22.80947 21.27000       52.29722 85.97646       25.34742 23.70919 10.68385 38.40758 7.000175 -14.69838      12.77291 
1 1 1 -17 36 16 o 30.81060 8.222576 59.52923       25.25884 0.000000       0.000000 59.52923       25.25884 ?        ?        30.81060 8.222576 ?              ?        
1 1 1 -17 36 17 o 39.86733 6.229428 89.54491       23.51437 50.00000       50.85113 100.3006       26.52007 26.99533 11.34830 41.81317 6.706341 -14.81784      13.18176 
1 1 1 -17 36 18 o 21.54405 7.991168 26.32537       22.41360 -63.44000      46.95268 52.81801       25.50755 16.49530 8.132271 28.80031 8.479218 -12.30501      11.74866 
1 1 1 -17 36 19 o 19.10528 7.997633 14.10072       25.09207 29.22000       45.62578 7.545194       30.04337 23.94819 10.41896 18.95678 8.345246 4.991413       13.34908 
1 1 1 -17 36 20 o 19.32067 8.053478 15.21785       25.28341 -45.12000      45.65560 41.90723       30.36466 17.20962 8.386353 25.36738 9.320277 -8.157766      12.53788 
1 1 1 -17 36 21 o 42.14813 6.233101 100.3279       24.94065 6.326000       49.82522 131.7561       28.80980 21.85386 10.06784 48.37160 6.229216 -26.51774      11.83911 
1 1 1 -17 36 22 o 51.60033 6.007562 148.7501       29.77610 105.1000       51.87721 170.1955       36.36223 35.33101 12.27045 54.03692 7.042068 -18.70591      14.14761 
1 1 1 -17 36 23 o 18.49637 7.973389 9.907220       26.22949 -11.93000      50.10160 18.15211       30.78544 20.26286 9.579167 20.66924 8.766330 -0.4063797     12.98495 
1 1 1 -17 36 24 o 19.97121 7.891319 20.33884       22.80560 58.12000       50.32343 10.57425       25.58349 27.73119 11.44270 18.46728 7.916424 9.263910       13.91421 
1 1 1 -17 36 25 o 28.21518 7.997229 50.09441       23.09330 77.05000       51.07259 43.16685       25.89128 30.50106 11.88127 25.81202 8.675856 4.689037       14.71173 
1 1 1 -17 36 26 o 33.74971 8.311233 72.49557       27.27161 55.92000       52.42363 78.64571       31.93267 27.19805 11.48287 34.10308 9.307928 -6.905029      14.78154 
1 1 1 -17 36 27 o 43.26127 5.567553 103.6143       23.02999 48.18000       52.47797 116.8369       25.62988 26.13297 11.27183 45.68476 5.866767 -19.55180      12.70721 
1 1 1 -17 36 28 o 15.80564 7.028594 0.8593894      21.83970 0.000000       0.000000 0.8593894      21.83970 ?        ?        15.80564 7.028594 ?              ?        
1 1 1 -17 36 29 o 20.49622 7.576467 24.16564       20.11665 25.68000       51.01161 23.88676       21.89071 23.36669 10.53862 20.55184 7.837720 2.814850       13.13363 
1 1 1 -17 36 30 o 14.36146 6.751950 -14.02779      24.27731 36.24000       48.85160 -30.51400      27.97656 24.22446 10.65369 13.82710 6.697768 10.39736       12.58416 
1 1 1 -17 36 31 o 25.84098 9.655191 47.87480       32.83509 67.65000       50.16282 33.05000       43.43260 28.06255 11.48504 23.39520 10.17206 4.667355       15.34200 
1 1 1 -17 36 32 o 11.96223 5.988681 -63.91198      29.64891 -53.59000      46.10610 -71.19000      38.71538 16.28514 8.034334 13.87279 6.929823 2.412349       10.61004 
1 1 1 -17 36 33 o 20.67857 8.819245 22.11452       31.45978 -4.435000      47.44962 42.94000       42.02444 19.64220 9.296609 24.33023 10.27703 -4.688023      13.85801 
1 1 1 -17 37 1  o 19.46803 7.306814 19.80465       18.84884 -3.195000      46.34928 24.36204       20.63194 20.69236 9.595136 20.92042 7.683334 -0.2280655     12.29228 
1 1 1 -17 37 2  o 42.58318 5.148909 97.80753       21.02619 68.52000       48.02293 104.7535       23.38700 29.95488 11.56145 43.73689 5.590504 -13.78201      12.84215 
1 1 1 -17 37 3  o 24.04490 8.789193 35.38047       26.94900 2.751000       45.59887 52.89484       33.40769 21.14519 9.700981 27.93914 9.836654 -6.793957      13.81553 
1 1 1 -17 37 4  o 29.53368 8.721249 56.05448       26.95085 53.29000       47.07675 57.40223       32.87036 27.54874 11.18177 29.03754 9.775566 -1.488798      14.85240 
1 1 1 -17 37 5  o 16.79500 6.999456 8.981525       19.09349 -12.53000      44.68010 13.78757       21.11896 19.56954 9.187673 18.34080 7.472610 1.228743       11.84286 
1 1 1 -17 37 6  o 25.87724 9.574170 43.46792       32.13637 14.45000       46.89060 69.17000       44.13028 22.50935 10.13217 30.35038 11.22120 -7.841032      15.11873 
1 1 1 -17 37 7  o 20.94510 7.970787 23.88521       22.61008 -26.40000      46.90736 39.10444       25.80580 18.82506 9.003215 24.95489 8.654975 -6.129833      12.48865 
1 1 1 -17 37 8  o 14.96057 6.655523 -0.8872592     19.60316 51.93000       46.09428 -12.54942      21.65951 27.21413 11.05765 13.89735 6.482989 13.31678       12.81799 
1 1 1 -17 37 9  o 18.49956 7.343161 15.72897       19.83114 5.938000       46.93227 17.85709       21.88045 21.53256 9.864946 19.35962 7.703918 2.172945       12.51669 
1 1 1 -17 37 10 o 24.60574 7.675210 37.00552       20.48634 -70.77000      48.28822 60.66182       22.62323 16.33764 8.089725 31.74596 7.415203 -15.40832      10.97401 
1 1 1 -17 37 11 o 16.21292 7.235316 -0.7835984E-01 23.35585 -50.43000      47.27000 16.18411       26.86408 17.24524 8.431775 19.81400 8.283407 -2.568758      11.81988 
1 1 1 -17 37 12 o 22.79390 7.974285 31.16911       21.93168 3.553000       49.42581 37.93970       24.47292 21.61032 9.981286 24.62607 8.433146 -3.015743      13.06691 
1 1 1 -17 37 13 o 24.77906 7.961440 37.88037       21.89874 4.220000       48.57511 46.46660       24.53327 21.58709 9.943425 27.05274 8.392923 -5.465645      13.01203 
1 1 1 -17 37 14 o 22.90756 8.372147 31.38667       24.45078 0.000000       0.000000 31.38667       24.45078 ?        ?        22.90756 8.372147 ?              ?        
1 1 1 -17 37 15 o 53.67156 4.809458 153.6437       24.99903 105.6000       55.20883 166.0351       28.03816 34.93245 12.60729 55.39687 5.232814 -20.46443      13.65013 
1 1 1 -17 37 16 o 21.54063 7.943449 26.84218       22.08973 33.98000       47.95290 24.91953       24.88761 24.56026 10.68335 21.28168 8.292808 3.278584       13.52422 
1 1 1 -17 37 17 o 19.89500 7.777285 20.40463       21.94625 14.38000       47.51509 22.03842       24.74371 22.30127 10.10361 20.61800 8.196464 1.683270       13.01019 
1 1 1 -17 37 18 o 21.04933 7.949557 24.91231       22.38743 -35.09000      46.68323 42.83287       25.51248 18.01166 8.707163 25.78605 8.611394 -7.774397      12.24626 
1 1 1 -17 37 19 o 29.00089 7.907188 52.64410       23.05868 106.4000       48.58336 37.01381       26.19739 36.20004 11.87573 24.18025 8.689943 12.01979       14.71557 
1 1 1 -17 37 20 f 16.72232 7.511580 -0.1674907     25.62144 -10.77000      46.53604 4.444465       30.69217 19.75891 9.307690 18.52913 8.279835 1.229782       12.45748 
1 1 1 -17 37 21 o 27.43272 8.765616 49.52427       26.57304 58.04000       48.19743 45.80524       31.85137 27.67560 11.28395 26.03838 9.549218 1.637215       14.78226 
1 1 1 -17 37 22 f 19.01201 8.074922 13.20775       26.18396 15.54000       46.33851 12.11379       31.73617 22.17659 10.01914 19.79321 8.649023 2.383379       13.23589 
1 1 1 -17 37 23 o 16.65217 7.512949 -0.9510315     25.95168 36.05000       46.87924 -17.30075      31.16225 24.54162 10.61967 16.03530 7.572800 8.506327       13.04319 
1 1 1 -17 37 24 o 28.95592 9.014968 56.70067       28.27710 52.81000       50.85596 58.44181       34.02098 26.63102 11.27982 28.50080 9.934455 -1.869783      15.03090 
1 1 1 -17 37 25 o 22.18675 8.142519 29.87557       23.16504 74.31000       50.75001 18.18112       26.03553 29.63428 11.75212 19.80443 8.206692 9.829857       14.33395 
1 1 1 -17 37 26 o 37.25704 6.741904 81.37798       23.68165 20.51000       53.05694 96.52116       26.46404 23.07908 10.54148 40.45398 6.932581 -17.37490      12.61679 
1 1 1 -17 37 27 o 19.21515 7.826359 17.82566       23.15698 0.000000       0.000000 17.82566       23.15698 ?        ?        19.21515 7.826359 ?              ?        
1 1 1 -17 37 28 o 25.48719 7.666353 41.23180       20.67632 30.87000       50.80778 43.28841       22.63542 23.60045 10.59137 25.81243 8.070195 -2.211987      13.31560 
1 1 1 -17 37 29 o 17.05772 7.278809 9.488120       21.44958 -7.987000      48.74269 13.68489       23.88675 19.72152 9.359963 18.34427 7.748315 1.377249       12.15094 
1 1 1 -17 37 30 o 16.28577 7.622552 -9.539721      30.35583 9.836000       46.48087 -23.95000      40.08497 20.78400 9.627596 16.99730 8.179564 3.786697       12.63313 
1 1 1 -17 37 31 o 19.13964 8.471188 12.43128       31.35546 10.93000       48.10851 13.54000       41.34310 20.94019 9.732478 20.51383 9.344995 0.4263592      13.49259 
1 1 1 -17 38 1  o 22.43150 7.570784 30.01722       19.71505 0.2788000      45.16788 37.01640       21.91262 20.66486 9.543558 24.46758 7.972453 -3.802723      12.43541 
1 1 1 -17 38 2  o 28.05458 7.211386 47.29442       19.91059 54.21000       45.80417 45.68325       22.10862 27.42070 11.06572 27.11421 7.869491 0.3064880      13.57862 
1 1 1 -17 38 3  o 30.09242 8.906975 59.43346       28.08413 62.15000       46.25082 57.84684       35.34647 28.68457 11.26746 28.65137 10.11541 0.3319550E-01  15.14190 
1 1 1 -17 38 4  o 30.62627 9.863926 65.30534       33.60129 58.93000       47.24672 71.83000       47.79687 28.13526 11.27877 30.20498 11.56601 -2.069714      16.15497 
1 1 1 -17 38 5  o 23.37218 8.748655 33.13330       26.98371 -11.52000      45.42841 57.47630       33.54191 19.65328 9.238716 28.77589 9.872232 -9.122614      13.52090 
1 1 1 -17 38 6  o 26.44369 7.601592 42.85124       20.72106 34.14000       46.64334 44.99314       23.12862 24.61618 10.62223 26.75865 8.121123 -2.142477      13.37103 
1 1 1 -17 38 7  o 26.24821 7.654574 42.32663       20.87290 18.16000       45.64967 48.71467       23.47002 22.60345 10.09932 27.83364 8.116804 -5.230183      12.95680 
1 1 1 -17 38 8  o 23.92821 8.198096 35.36166       23.12839 18.11000       46.77354 40.94495       26.60908 22.70629 10.17831 25.28972 8.787667 -2.583435      13.44697 
1 1 1 -17 38 9  o 17.20402 7.470080 6.032057       23.35777 -24.10000      46.58311 16.15247       26.99686 18.80895 8.989128 19.77943 8.288811 -0.9704762     12.22738 
1 1 1 -17 38 10 o 22.66324 8.296970 30.91161       24.02913 17.81000       47.07726 35.52750       27.94326 22.59621 10.16341 23.85730 8.908387 -1.261093      13.51496 
1 1 1 -17 38 11 o 20.07705 8.317666 18.27752       26.73551 21.13000       47.32203 16.94016       32.40228 22.93980 10.26376 20.66721 8.885106 2.272591       13.57534 
1 1 1 -17 38 12 o 45.25335 6.151393 115.5409       26.54295 0.000000       0.000000 115.5409       26.54295 ?        ?        45.25335 6.151393 ?              ?        
1 1 1 -17 38 13 o 27.70267 8.430948 49.47203       24.90360 0.000000       0.000000 49.47203       24.90360 ?        ?        27.70267 8.430948 ?              ?        
1 1 1 -17 38 14 o 33.11986 7.295300 65.97697       23.01029 -37.02000      48.47906 95.92850       26.14277 18.15646 8.800079 40.57747 6.823971 -22.42101      11.13589 
1 1 1 -17 38 15 o 17.58774 7.410548 10.44376       21.76306 -1.138000      47.03058 13.59952       24.54962 20.61172 9.594357 18.77375 7.888133 1.837965       12.42072 
1 1 1 -17 38 16 o 22.48934 8.090144 30.64728       22.71212 9.638000       47.37219 36.91791       25.88056 21.66164 9.919210 24.10834 8.640495 -2.446693      13.15481 
1 1 1 -17 38 17 o 23.94279 8.134368 35.89802       22.76168 55.56000       47.87329 30.15498       25.87322 27.24920 11.19356 22.45712 8.531214 4.792082       14.07399 
1 1 1 -17 38 18 o 18.51441 7.642951 14.32096       22.46424 -9.264000      46.12389 21.65530       25.72106 19.73976 9.288659 20.54488 8.291780 -0.8051205     12.45122 
1 1 1 -17 38 19 o 18.13585 7.578220 12.51997       22.46872 -20.51000      46.31506 22.68613       25.69488 18.86504 9.001426 20.75116 8.317974 -1.886126      12.25620 
1 1 1 -17 38 20 o 18.70486 8.007973 11.97184       26.11685 -21.49000      46.42708 27.46271       31.58888 18.76480 8.969671 22.19618 9.102449 -3.431379      12.77926 
1 1 1 -17 38 21 o 16.93229 7.564247 2.075944       25.59803 11.65000       46.52554 -2.080428      30.65495 21.56418 9.857818 17.52165 8.006761 4.042528       12.69979 
1 1 1 -17 38 22 o 16.50290 7.512711 -2.666946      26.66265 -14.33000      46.01591 3.227710       32.71381 19.15425 9.091791 18.58293 8.404755 0.5713272      12.38146 
1 1 1 -17 38 23 o 24.00038 9.529818 37.29038       33.41094 60.45000       47.38374 14.39000       47.11779 27.65088 11.22003 21.87646 9.969820 5.774422       15.00954 
1 1 1 -17 38 24 o 22.93729 8.198945 33.15739       23.28674 12.18000       47.62448 39.74873       26.69569 21.59055 9.908566 24.51514 8.776780 -2.924589      13.23675 
1 1 1 -17 38 25 o 20.21996 8.201201 21.64773       25.30345 0.000000       0.000000 21.64773       25.30345 ?        ?        20.21996 8.201201 ?              ?        
1 1 1 -17 38 26 o 26.84355 7.984292 46.94390       22.52279 -40.27000      50.62581 68.46533       25.14865 17.86967 8.734700 32.69077 7.939377 -14.82109      11.80376 
1 1 1 -17 38 27 o 18.31064 7.377798 16.57184       20.32621 40.92000       48.07725 11.27250       22.42938 24.22851 10.61479 17.54414 7.463353 6.684370       12.97595 
1 1 1 -17 38 28 o 24.25750 8.257245 39.56116       23.45597 38.81000       48.10736 39.79543       26.86574 23.74786 10.50268 24.01460 8.776002 -0.2667408     13.68665 
1 1 1 -17 38 29 o 19.45072 8.517947 15.29906       30.92966 6.835000       47.00935 21.76000       41.07174 20.39985 9.527736 21.35213 9.557043 -0.9522781     13.49499 
1 1 1 -17 39 1  o 20.07598 9.345569 -3.309000      44.63411 -3.309000      44.63411 0.000000       0.000000 20.07598 9.345569 ?        ?        ?              ?        
1 1 1 -17 39 2  o 13.10129 6.118419 -11.82982      19.37892 -21.77000      43.47705 -9.365352      21.64834 18.31236 8.733156 14.23294 6.585097 4.079420       10.93762 
1 1 1 -17 39 3  o 13.63569 6.353481 -11.40874      20.70548 -83.80000      43.23595 10.13416       23.58598 14.55630 7.279105 17.93010 7.641315 -3.373804      10.55344 
1 1 1 -17 39 4  o 34.15707 6.882908 68.70855       22.21616 39.35000       45.77640 77.75403       25.40915 24.98474 10.64652 35.85042 7.482990 -10.86568      13.01321 
1 1 1 -17 39 5  o 21.62429 7.737202 27.62395       20.74296 -9.439000      43.70758 38.39841       23.56593 19.37872 9.094611 24.62203 8.277102 -5.243311      12.29725 
1 1 1 -17 39 6  o 17.22385 7.716172 1.355800       26.83806 -41.34000      44.00764 26.63797       33.86435 17.02177 8.281033 22.35231 9.319063 -5.330544      12.46677 
1 1 1 -17 39 7  o 39.31918 6.539639 89.17748       24.28520 66.93000       48.03275 96.81760       28.14795 28.97793 11.45173 40.14141 7.437703 -11.16348      13.65509 
1 1 1 -17 39 8  o 47.37337 6.101356 126.6157       27.63597 61.08000       49.32641 156.5990       33.36420 27.96620 11.41047 52.05106 6.704060 -24.08486      13.23417 
1 1 1 -17 39 9  o 38.84549 7.177691 89.82596       26.28668 -10.19000      48.39360 131.6866       31.30808 19.98585 9.438046 47.41610 6.952079 -27.43025      11.72212 
1 1 1 -17 39 10 o 43.54675 7.513968 114.2700       30.87115 0.000000       0.000000 114.2700       30.87115 ?        ?        43.54675 7.513968 ?              ?        
1 1 1 -17 39 11 o 26.95641 8.551710 47.52579       25.32911 0.000000       0.000000 47.52579       25.32911 ?        ?        26.95641 8.551710 ?              ?        
1 1 1 -17 39 12 o 24.49855 8.106520 37.94012       22.62047 -49.09000      49.63308 60.75652       25.41324 17.55686 8.595912 30.79816 8.260392 -13.24130      11.92157 
1 1 1 -17 39 13 o 14.72487 6.736038 -5.932632      21.77426 35.98000       47.56139 -17.04668      24.49166 24.48022 10.64419 14.16670 6.697310 10.31352       12.57588 
1 1 1 -17 39 14 o 19.39046 7.730004 18.73816       22.06756 -13.78000      47.28490 27.79284       24.95147 19.49499 9.242674 21.78773 8.353189 -2.292738      12.45804 
1 1 1 -17 39 15 o 22.04837 8.019593 29.29163       22.39615 13.51000       47.99480 33.68467       25.32215 21.99638 10.03895 23.21607 8.514363 -1.219692      13.16339 
1 1 1 -17 39 16 o 26.86084 8.121840 46.29345       23.16267 -24.57000      47.52468 68.37069       26.52654 18.69023 8.971451 32.65311 8.286902 -13.96288      12.21309 
1 1 1 -17 39 17 o 24.98102 8.112411 40.03893       22.69897 -4.883000      45.47194 54.94806       26.19632 19.83788 9.299330 28.76111 8.624270 -8.923235      12.68289 
1 1 1 -17 39 18 o 26.17620 8.149646 44.32153       23.10908 44.11000       46.06182 44.39267       26.71435 25.23587 10.71387 25.75052 8.811082 -0.5146580     13.87164 
1 1 1 -17 39 19 o 16.87339 7.344974 6.258304       22.70068 -1.206000      45.09344 8.792074       26.27256 20.05919 9.356365 18.08510 7.886627 1.974085       12.23685 
1 1 1 -17 39 20 o 24.25423 8.846875 38.64508       27.28248 67.19000       48.33231 25.29631       33.05169 28.50450 11.41414 21.78349 9.152708 6.721008       14.63061 
1 1 1 -17 39 21 o 22.57327 9.339221 30.34788       33.64343 0.2329000E-01  47.13595 61.84000       48.03477 20.34454 9.514538 27.51692 11.24757 -7.172382      14.73208 
1 1 1 -17 39 22 o 18.71265 8.050865 12.87800       26.64133 -17.75000      46.43936 27.90270       32.52593 18.72323 8.955509 21.97947 9.145886 -3.256239      12.80033 
1 1 1 -17 39 23 o 25.21357 8.832845 43.58530       26.91425 43.31000       48.95858 43.70452       32.21955 24.69255 10.76705 24.87387 9.503134 -0.1813240     14.36102 
1 1 1 -17 39 24 o 40.66519 7.291832 101.4457       27.95829 0.000000       0.000000 101.4457       27.95829 ?        ?        40.66519 7.291832 ?              ?        
1 1 1 -17 39 25 o 18.32238 7.563355 15.89017       21.99751 41.66000       45.29349 7.935531       25.16462 24.04992 10.42264 17.40254 7.650170 6.647381       12.92890 
1 1 1 -17 39 26 o 29.56891 8.333388 59.48305       25.14861 86.20000       49.68130 50.27866       29.16063 29.89189 11.69679 26.17359 9.192169 3.718298       14.87652 
1 1 1 -17 39 27 o 15.77004 7.457001 -12.86340      30.39573 -51.70000      46.27427 16.61000       40.31197 16.15575 7.985044 20.49778 9.294412 -4.342030      12.25345 
1 1 1 -17 40 1  o 29.22664 7.401668 52.43948       21.19346 -23.63000      47.87126 70.98368       23.63598 18.82591 9.028034 34.30051 7.266206 -15.47460      11.58892 
1 1 1 -17 40 2  o 18.88963 7.729730 16.12474       22.71772 0.000000       0.000000 16.12474       22.71772 ?        ?        18.88963 7.729730 ?              ?        
1 1 1 -17 40 3  o 22.96650 7.884058 32.62897       21.39318 -24.09000      44.94925 49.23954       24.32487 18.29009 8.765004 27.54809 8.321698 -9.258001      12.08619 
1 1 1 -17 40 4  o 17.03284 7.409427 6.284319       23.06840 -2.139000      44.99388 9.288062       26.86849 20.09319 9.363492 18.36800 7.993268 1.725195       12.31127 
1 1 1 -17 40 5  o 15.24984 6.776964 0.4362616      20.27010 7.714000       45.08675 -1.407369      22.69278 21.03763 9.649675 15.65682 7.048037 5.380805       11.94952 
1 1 1 -17 40 6  o 25.40353 8.306040 41.67991       23.77471 70.03000       46.73537 31.78186       27.61488 29.32407 11.38161 22.77483 8.773252 6.549238       14.37049 
1 1 1 -17 40 7  o 17.81617 8.223557 -4.791432      33.47239 8.816000       46.07437 -20.00000      48.70971 21.25854 9.752408 19.19396 9.178266 2.064573       13.39216 
1 1 1 -17 40 8  o 16.06978 7.404114 -6.757226      26.95983 -33.12000      45.75645 7.261672       33.36674 17.77944 8.601056 19.25475 8.616486 -1.475307      12.17465 
1 1 1 -17 40 9  o 17.33739 7.558339 6.708317       24.11567 0.000000       0.000000 6.708317       24.11567 ?        ?        17.33739 7.558339 ?              ?        
1 1 1 -17 40 10 o 23.37759 9.055582 34.46011       29.54039 0.000000       0.000000 34.46011       29.54039 ?        ?        23.37759 9.055582 ?              ?        
1 1 1 -17 40 11 o 23.72698 8.557518 36.12629       25.43158 -85.52000      47.43288 85.20367       30.12803 15.23711 7.620252 36.14359 8.634551 -20.90649      11.51624 
1 1 1 -17 40 12 o 20.98921 7.887469 25.78171       21.97814 26.72000       47.21405 25.52215       24.83271 23.09895 10.29914 21.11734 8.267715 1.981607       13.20709 
1 1 1 -17 40 13 o 16.22275 7.144878 3.569395       22.04527 6.455000       46.47944 2.731822       25.04113 20.91029 9.665481 16.83169 7.502916 4.078602       12.23582 
1 1 1 -17 40 14 o 18.92943 7.730736 16.88363       22.66824 21.23000       47.33174 15.59000       25.82225 22.45429 10.13702 19.16262 8.073004 3.291676       12.95888 
1 1 1 -17 40 15 o 12.78018 6.140249 -22.81557      22.37908 7.617000       46.45975 -32.00992      25.53690 20.98862 9.688093 12.95878 6.305259 8.029843       11.55921 
1 1 1 -17 40 16 o 12.32773 5.984144 -28.40990      22.64210 -60.81000      45.67020 -17.85090      26.07180 16.00636 7.915147 14.46700 6.860118 1.539370       10.47429 
1 1 1 -17 40 17 o 15.99003 7.151021 0.9653416      22.94337 27.71000       46.74327 -7.523083      26.33383 23.03011 10.25938 15.69857 7.263073 7.331532       12.57009 
1 1 1 -17 40 18 o 11.30987 5.589415 -40.20686      22.65408 -114.8000      45.61069 -15.77889      26.10123 13.61720 6.893094 14.62716 6.914659 -1.009961      9.763568 
1 1 1 -17 40 19 o 19.53868 8.342766 16.70499       28.21043 12.00000       46.32569 19.47810       35.56526 21.13070 9.724956 20.85421 9.133242 0.2764854      13.34132 
1 1 1 -17 40 20 o 19.27159 8.607781 10.68644       33.13265 18.95000       46.38762 2.080000       47.34019 21.71987 9.896069 20.24332 9.489085 1.476553       13.71039 
1 1 1 -17 40 21 o 17.34302 7.729208 5.573890       26.55984 -31.16000      45.13890 25.02670       32.84798 17.34810 8.427647 21.23870 9.033360 -3.890602      12.35422 
1 1 1 -17 40 22 o 21.21608 9.021343 25.64883       32.74561 0.000000       0.000000 25.64883       32.74561 ?        ?        21.21608 9.021343 ?              ?        
1 1 1 -17 40 23 o 17.36215 7.713532 7.140655       26.24151 66.29000       45.53723 -22.26771      32.10902 27.17992 11.01006 15.29867 7.351468 11.88125       13.23879 
1 1 1 -17 40 24 o 36.12478 7.915083 84.89243       27.21247 49.32000       47.31896 102.4706       33.26329 24.69718 10.67816 38.32787 9.017880 -13.63069      13.97660 
1 1 1 -17 41 1  o 26.32115 7.658390 43.84747       20.91488 -12.98000      47.08355 57.81723       23.34449 19.28574 9.166414 30.17092 7.835787 -10.88518      12.05913 
1 1 1 -17 41 2  o 10.59330 5.226478 -35.13013      19.51841 -28.42000      44.60264 -36.71948      21.70722 17.74351 8.561110 11.27726 5.553922 6.466250       10.20483 
1 1 1 -17 41 3  o 20.18103 7.720684 23.02536       21.28547 15.25000       46.77718 25.05575       23.90361 21.73762 9.916992 20.88048 8.129844 0.8571377      12.82346 
1 1 1 -17 41 4  o 24.05112 8.446190 37.72614       24.61941 0.000000       0.000000 37.72614       24.61941 ?        ?        24.05112 8.446190 ?              ?        
1 1 1 -17 41 5  o 33.88734 7.702418 71.79398       24.96749 15.20000       47.92616 92.87461       29.25023 21.83009 9.989082 38.31521 8.055297 -16.48513      12.83237 
1 1 1 -17 41 6  o 12.37369 5.992929 -26.81048      22.37864 -48.22000      44.26299 -19.45866      25.93790 16.39869 8.047112 14.24047 6.778383 2.158228       10.52153 
1 1 1 -17 41 7  o 18.60691 7.630817 15.90363       22.20144 21.26000       46.15739 14.29141       25.32318 22.27798 10.03818 18.79926 7.960962 3.478720       12.81179 
1 1 1 -17 41 8  o 16.33800 7.765953 -18.66883      33.80827 0.000000       0.000000 -18.66883      33.80827 ?        ?        16.33800 7.765953 ?              ?        
1 1 1 -17 41 9  o 34.89333 8.667789 80.63168       29.47160 45.42000       50.12347 99.23747       36.43527 25.22943 10.94888 37.33677 9.834750 -12.10735      14.71735 
1 1 1 -17 41 10 o 21.12246 7.998866 26.45250       22.70182 13.12000       47.34447 30.43321       25.86984 21.54946 9.885886 22.20566 8.507511 -0.6562023     13.04256 
1 1 1 -17 41 11 o 33.02943 8.210016 70.57397       26.42845 22.81000       47.59457 91.86691       31.77788 22.53490 10.17003 37.09992 8.870932 -14.56502      13.49530 
1 1 1 -17 41 12 o 17.58591 7.490732 10.69461       22.64487 -16.59000      46.11116 19.36627       25.99551 18.76975 8.963018 19.81070 8.204025 -1.040951      12.15079 
1 1 1 -17 41 13 o 36.70933 7.092419 81.67976       24.56211 22.67000       48.69300 101.8191       28.44636 22.42068 10.18553 40.73515 7.407065 -18.31447      12.59403 
1 1 1 -17 41 14 o 16.68044 7.346222 5.266965       23.30354 -27.72000      46.26751 16.47967       26.97493 17.88683 8.652025 19.30322 8.197191 -1.416397      11.91854 
1 1 1 -17 41 15 f 18.64414 7.732521 16.13076       23.14152 -2.439000      46.63453 22.19736       26.65490 19.78346 9.318724 20.29419 8.346148 -0.5107269     12.50987 
1 1 1 -17 41 16 f 26.61642 8.282680 47.68508       23.87285 49.10000       47.22118 47.19928       27.66920 25.14641 10.76686 25.86939 8.962547 -0.7229786     14.00902 
1 1 1 -17 41 17 o 16.77435 7.367678 6.465490       23.29464 -28.26000      45.90847 18.50644       27.03330 17.62954 8.549148 19.52209 8.244187 -1.892550      11.87664 
1 1 1 -17 41 18 o 15.76330 7.296937 -5.604089      26.63292 14.93000       44.78656 -16.83804      33.12655 20.88433 9.593433 16.06691 7.651303 4.817419       12.27096 
1 1 1 -17 41 19 o 20.58138 8.044279 25.92911       23.47577 26.78000       44.63345 25.60370       27.60218 21.98138 9.890698 20.73768 8.506996 1.243704       13.04588 
1 1 1 -17 41 20 o 25.96355 9.781434 52.90427       33.84713 0.000000       0.000000 52.90427       33.84713 ?        ?        25.96355 9.781434 ?              ?        
1 1 1 -17 41 21 f 17.18634 7.989394 -2.704381      32.44465 0.000000       0.000000 -2.704381      32.44465 ?        ?        17.18634 7.989394 ?              ?        
1 1 1 -17 42 1  f 21.12049 7.740737 27.18939       20.92422 37.09000       47.55630 24.81262       23.30082 23.88183 10.50695 20.62262 8.027464 3.259212       13.22256 
1 1 1 -17 42 2  o 17.70475 7.375615 13.03165       21.18834 12.43000       47.10718 13.18424       23.72357 21.22674 9.782701 18.19321 7.704920 3.033525       12.45259 
1 1 1 -17 42 3  o 31.49872 8.236708 65.26573       25.67805 7.678000       47.49434 89.05199       30.52389 20.81389 9.672543 36.53305 8.667322 -15.71916      12.98771 
1 1 1 -17 42 4  o 44.69675 6.504918 117.1824       27.62480 31.42000       49.59068 155.7696       33.26387 23.27914 10.45412 51.21053 6.804232 -27.93139      12.47342 
1 1 1 -17 42 5  o 20.77722 7.825328 25.95712       21.65975 72.05000       47.77239 14.03016       24.30104 28.58069 11.38010 18.42132 7.799674 10.15937       13.79643 
1 1 1 -17 42 6  o 28.25534 8.516294 54.24041       25.49620 0.000000       0.000000 54.24041       25.49620 ?        ?        28.25534 8.516294 ?              ?        
1 1 1 -17 42 7  o 40.66365 7.312101 101.5365       28.03424 0.000000       0.000000 101.5365       28.03424 ?        ?        40.66365 7.312101 ?              ?        
1 1 1 -17 42 8  o 30.22821 7.948972 59.51750       23.82799 27.03000       48.62931 69.78192       27.33425 22.64978 10.24540 32.17070 8.539226 -9.520922      13.33741 
1 1 1 -17 42 9  o 23.81751 9.722228 39.66190       35.82997 70.59000       47.88764 0.3281000      54.00447 28.15203 11.33090 20.74005 9.845929 7.411982       15.01105 
1 1 1 -17 42 10 o 17.70600 7.920018 6.003900       28.15827 46.46000       46.40216 -17.57752      35.42674 24.72270 10.63072 16.55508 7.891810 8.167622       13.23982 
1 1 1 -17 42 11 o 19.19663 7.777359 19.53412       22.72617 9.665000       45.80514 22.75686       26.17506 20.55580 9.534176 20.21734 8.287802 0.3384590      12.63282 
1 1 1 -17 42 12 o 21.72979 8.426363 30.23522       25.59867 -13.68000      44.91982 51.35621       31.15212 18.43119 8.813642 26.22386 9.469458 -7.792673      12.93642 
1 1 1 -17 42 13 o 16.76961 7.350365 7.185304       23.07726 -24.22000      44.53097 18.71637       26.98332 17.55888 8.492115 19.43827 8.224028 -1.879383      11.82162 
1 1 1 -17 42 14 o 19.17109 7.811660 19.85289       23.08159 44.98000       44.98943 10.87628       26.89028 24.14219 10.42502 18.04714 7.921647 6.095055       13.09326 
1 1 1 -17 42 15 f 11.23160 5.548350 -37.58128      22.23799 -43.47000      43.39437 -35.48401      25.89698 16.04287 7.891476 12.55029 6.157941 3.492580       10.00978 
1 1 1 -17 42 16 o 17.96558 7.891367 11.05508       26.72754 -47.92000      44.32978 44.73800       33.50164 15.93696 7.865470 24.26922 9.572302 -8.332261      12.38929 
1 1 1 -17 42 17 o 34.31808 8.409343 80.37103       28.02344 88.45000       47.14095 75.95579       34.84962 30.21613 11.50684 30.75803 10.05620 -0.5418968     15.28184 
1 1 1 -17 43 1  o 15.24170 7.199608 -13.05857      28.19534 0.9132000      44.66076 -22.31764      36.35666 19.45338 9.149615 16.20337 7.795557 3.250011       12.02024 
1 1 1 -17 43 2  o 19.66986 8.028270 21.53402       24.42863 36.54000       45.93536 15.61652       28.84589 23.13100 10.24473 19.09804 8.296864 4.032959       13.18303 
1 1 1 -17 43 3  o 19.24115 7.725465 20.55541       22.20306 37.64000       45.26520 15.14250       25.47872 23.23334 10.23509 18.55193 7.925189 4.681412       12.94471 
1 1 1 -17 43 4  o 23.65660 8.035069 37.63055       22.20920 58.88000       45.56141 31.00771       25.43579 26.01917 10.82551 21.77335 8.411365 4.245813       13.70922 
1 1 1 -17 43 5  o 20.37007 8.199061 24.80100       25.07505 0.000000       0.000000 24.80100       25.07505 ?        ?        20.37007 8.199061 ?              ?        
1 1 1 -17 43 6  o 23.26431 8.048351 36.46027       22.30902 8.457000       45.80201 45.17019       25.54390 20.15058 9.409101 25.24459 8.616448 -5.094013      12.75831 
1 1 1 -17 43 7  o 21.06686 7.983057 28.41216       22.62099 9.483000       45.16935 34.74899       26.13449 20.13996 9.384095 22.54201 8.571658 -2.402054      12.70962 
1 1 1 -17 43 8  o 21.04284 7.972457 28.44823       22.55844 19.40000       45.71195 31.36117       25.93667 21.07228 9.684273 21.73391 8.466706 -0.6616325     12.86352 
1 1 1 -17 43 9  o 12.22952 5.918610 -23.62845      21.72207 -31.68000      44.00734 -21.03484      24.97684 16.77910 8.189082 13.48795 6.481990 3.291151       10.44401 
1 1 1 -17 43 10 o 16.11048 7.697347 -16.41541      34.10621 0.000000       0.000000 -16.41541      34.10621 ?        ?        16.11048 7.697347 ?              ?        
1 1 1 -17 43 11 o 25.68263 9.055013 49.07623       28.31680 45.04000       46.72726 51.41874       35.59786 23.84544 10.45533 25.29682 9.900386 -1.451384      14.39901 
1 1 1 -17 43 12 o 16.77589 8.177900 -29.58000      43.52258 -29.58000      43.52258 0.000000       0.000000 16.77589 8.177900 ?        ?        ?              ?        
1 1 1 -16 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  2  o 281.5100 7.803765 3898.060       214.6589 3898.060       214.6589 3898.060       214.6589 281.5100 7.803765 281.5100 7.803765 -0.000000      0.000000 
1 1 1 -16 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  4  o 57.17350 4.572272 163.1771       25.19990 163.1771       25.19990 163.1771       25.19990 57.17350 4.572272 57.17350 4.572272 0.000000       0.000000 
1 1 1 -16 0  5  o 150.9760 4.904072 1120.323       72.29873 1120.323       72.29873 1120.323       72.29873 150.9760 4.904072 150.9760 4.904072 -0.000000      0.000000 
1 1 1 -16 0  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  7  f 119.6597 4.504076 704.4199       52.58461 704.4199       52.58461 704.4199       52.58461 119.6597 4.504076 119.6597 4.504076 0.000000       0.000000 
1 1 1 -16 0  8  o 240.6156 6.861039 2846.964       161.2949 2846.964       161.2949 2846.964       161.2949 240.6156 6.861039 240.6156 6.861039 0.000000       0.000000 
1 1 1 -16 0  9  o 387.9618 10.48003 7423.475       397.3202 7423.475       397.3202 7423.475       397.3202 387.9618 10.48003 387.9618 10.48003 -0.000000      0.000000 
1 1 1 -16 0  10 o 222.2843 6.450842 2429.613       140.0885 2429.613       140.0885 2429.613       140.0885 222.2843 6.450842 222.2843 6.450842 0.000000       0.000000 
1 1 1 -16 0  11 o 125.7471 4.631914 777.9339       56.83598 777.9339       56.83598 777.9339       56.83598 125.7471 4.631914 125.7471 4.631914 -0.000000      0.000000 
1 1 1 -16 0  12 o 290.3281 8.056775 4150.052       228.5597 4150.052       228.5597 4150.052       228.5597 290.3281 8.056775 290.3281 8.056775 0.000000       0.000000 
1 1 1 -16 0  13 o 182.1816 5.599051 1631.969       99.63108 1631.969       99.63108 1631.969       99.63108 182.1816 5.599051 182.1816 5.599051 -0.000000      0.000000 
1 1 1 -16 0  14 o 148.1150 4.998745 1078.983       72.28407 1078.983       72.28407 1078.983       72.28407 148.1150 4.998745 148.1150 4.998745 0.000000       0.000000 
1 1 1 -16 0  15 o 29.44359 10.04576 55.20718       25.97331 55.20718       25.97331 55.20718       25.97331 29.44359 10.04576 29.44359 10.04576 0.000000       0.000000 
1 1 1 -16 0  16 f 48.73562 6.468243 122.5305       29.34047 122.5305       29.34047 122.5305       29.34047 48.73562 6.468243 48.73562 6.468243 0.000000       0.000000 
1 1 1 -16 0  17 o 283.9246 11.38287 3999.000       315.1875 3999.000       315.1875 3999.000       315.1875 283.9246 11.38287 283.9246 11.38287 0.000000       0.000000 
1 1 1 -16 0  18 o 34.08795 14.58544 81.78000       49.67343 81.78000       49.67343 81.78000       49.67343 34.08795 14.58544 34.08795 14.58544 0.000000       0.000000 
1 1 1 -16 0  19 o 56.14880 10.92784 171.8000       53.53508 171.8000       53.53508 171.8000       53.53508 56.14880 10.92784 56.14880 10.92784 0.000000       0.000000 
1 1 1 -16 0  20 o 19.37644 10.72241 25.52516       29.75683 25.52516       29.75683 25.52516       29.75683 19.37644 10.72241 19.37644 10.72241 0.000000       0.000000 
1 1 1 -16 0  21 o 318.1339 8.803925 4997.331       273.6780 4997.331       273.6780 4997.331       273.6780 318.1339 8.803925 318.1339 8.803925 0.000000       0.000000 
1 1 1 -16 0  22 o 92.79256 4.917879 425.8512       44.37976 425.8512       44.37976 425.8512       44.37976 92.79256 4.917879 92.79256 4.917879 0.000000       0.000000 
1 1 1 -16 0  23 o 182.8678 7.936490 1656.000       141.4497 1656.000       141.4497 1656.000       141.4497 182.8678 7.936490 182.8678 7.936490 -0.000000      0.000000 
1 1 1 -16 0  24 o 129.2317 6.552247 827.4000       82.39433 827.4000       82.39433 827.4000       82.39433 129.2317 6.552247 129.2317 6.552247 0.000000       0.000000 
1 1 1 -16 0  25 o 169.0642 7.612662 1417.000       125.3947 1417.000       125.3947 1417.000       125.3947 169.0642 7.612662 169.0642 7.612662 0.000000       0.000000 
1 1 1 -16 0  26 o 64.43616 8.064026 214.2000       48.70867 214.2000       48.70867 214.2000       48.70867 64.43616 8.064026 64.43616 8.064026 -0.000000      0.000000 
1 1 1 -16 0  27 o 129.2424 4.777092 823.7056       60.24546 823.7056       60.24546 823.7056       60.24546 129.2424 4.777092 129.2424 4.777092 -0.000000      0.000000 
1 1 1 -16 0  28 o 100.9806 4.596863 503.9842       45.22150 503.9842       45.22150 503.9842       45.22150 100.9806 4.596863 100.9806 4.596863 -0.000000      0.000000 
1 1 1 -16 0  29 o 131.5255 4.841947 854.0361       62.14360 854.0361       62.14360 854.0361       62.14360 131.5255 4.841947 131.5255 4.841947 0.000000       0.000000 
1 1 1 -16 0  30 o 26.03409 10.28431 46.42796       25.20360 46.42796       25.20360 46.42796       25.20360 26.03409 10.28431 26.03409 10.28431 -0.000000      0.000000 
1 1 1 -16 0  31 f 89.58323 4.761402 398.3784       41.48002 398.3784       41.48002 398.3784       41.48002 89.58323 4.761402 89.58323 4.761402 -0.000000      0.000000 
1 1 1 -16 0  32 o 81.50607 4.863041 330.7900       38.47826 330.7900       38.47826 330.7900       38.47826 81.50607 4.863041 81.50607 4.863041 0.000000       0.000000 
1 1 1 -16 0  33 o 90.24994 4.883524 405.2329       42.85010 405.2329       42.85010 405.2329       42.85010 90.24994 4.883524 90.24994 4.883524 0.000000       0.000000 
1 1 1 -16 0  34 o 41.19699 8.363683 94.29090       29.85453 94.29090       29.85453 94.29090       29.85453 41.19699 8.363683 41.19699 8.363683 -0.000000      0.000000 
1 1 1 -16 0  35 o 13.00784 8.570978 -4.274746      27.91111 -4.274746      27.91111 -4.274746      27.91111 13.00784 8.570978 13.00784 8.570978 -0.000000      0.000000 
1 1 1 -16 0  36 o 15.69324 9.677392 10.76246       29.08427 10.76246       29.08427 10.76246       29.08427 15.69324 9.677392 15.69324 9.677392 0.000000       0.000000 
1 1 1 -16 0  37 o 91.84210 5.126530 421.6492       45.75550 421.6492       45.75550 421.6492       45.75550 91.84210 5.126530 91.84210 5.126530 0.000000       0.000000 
1 1 1 -16 0  38 o 113.9332 5.100150 647.2914       56.61718 647.2914       56.61718 647.2914       56.61718 113.9332 5.100150 113.9332 5.100150 0.000000       0.000000 
1 1 1 -16 0  39 o 18.31819 10.64571 22.46596       31.34544 22.46596       31.34544 22.46596       31.34544 18.31819 10.64571 18.31819 10.64571 -0.000000      0.000000 
1 1 1 -16 0  40 o 41.35550 9.566441 99.45164       33.69410 99.45164       33.69410 99.45164       33.69410 41.35550 9.566441 41.35550 9.566441 -0.000000      0.000000 
1 1 1 -16 0  41 o 24.64849 11.92796 47.60524       33.54731 47.60524       33.54731 47.60524       33.54731 24.64849 11.92796 24.64849 11.92796 -0.000000      0.000000 
1 1 1 -16 0  42 o 16.62771 11.24792 -15.70000      53.92390 -15.70000      53.92390 -15.70000      53.92390 16.62771 11.24792 16.62771 11.24792 -0.000000      0.000000 
1 1 1 -16 0  43 o 11.16081 7.829037 -30.59871      32.51285 -30.59871      32.51285 -30.59871      32.51285 11.16081 7.829037 11.16081 7.829037 -0.000000      0.000000 
1 1 1 -16 0  44 o 62.21233 8.832994 212.2000       50.66195 212.2000       50.66195 212.2000       50.66195 62.21233 8.832994 62.21233 8.832994 0.000000       0.000000 
1 1 1 -16 0  45 o 56.01736 9.988135 179.2000       49.58163 179.2000       49.58163 179.2000       49.58163 56.01736 9.988135 56.01736 9.988135 -0.000000      0.000000 
1 1 1 -16 0  46 o 18.17029 10.73289 23.33050       32.74425 23.33050       32.74425 23.33050       32.74425 18.17029 10.73289 18.17029 10.73289 0.000000       0.000000 
1 1 1 -16 0  47 o 34.94852 11.66330 83.53727       35.54834 83.53727       35.54834 83.53727       35.54834 34.94852 11.66330 34.94852 11.66330 0.000000       0.000000 
1 1 1 -16 0  48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  50 o 27.74244 12.32406 62.18348       35.36100 62.18348       35.36100 62.18348       35.36100 27.74244 12.32406 27.74244 12.32406 0.000000       0.000000 
1 1 1 -16 0  51 o 49.83366 8.400167 140.5752       37.47932 140.5752       37.47932 140.5752       37.47932 49.83366 8.400167 49.83366 8.400167 -0.000000      0.000000 
1 1 1 -16 0  52 o 28.92902 12.09327 65.55311       34.28720 65.55311       34.28720 65.55311       34.28720 28.92902 12.09327 28.92902 12.09327 -0.000000      0.000000 
1 1 1 -16 0  53 o 54.36506 7.649779 163.0202       38.39301 163.0202       38.39301 163.0202       38.39301 54.36506 7.649779 54.36506 7.649779 -0.000000      0.000000 
1 1 1 -16 0  54 o 40.66739 10.91454 106.2083       37.54039 106.2083       37.54039 106.2083       37.54039 40.66739 10.91454 40.66739 10.91454 0.000000       0.000000 
1 1 1 -16 0  55 o 16.05871 10.85123 -6.553000      49.92105 -6.553000      49.92105 -6.553000      49.92105 16.05871 10.85123 16.05871 10.85123 0.000000       0.000000 
1 1 1 -16 0  56 o 15.42566 10.57471 -16.00000      51.12680 -16.00000      51.12680 -16.00000      51.12680 15.42566 10.57471 15.42566 10.57471 -0.000000      0.000000 
1 1 1 -16 0  57 o 24.24053 13.50962 56.45000       47.63076 56.45000       47.63076 56.45000       47.63076 24.24053 13.50962 24.24053 13.50962 -0.000000      0.000000 
1 1 1 -16 0  58 o 44.05148 13.50926 139.9000       50.91196 139.9000       50.91196 139.9000       50.91196 44.05148 13.50926 44.05148 13.50926 0.000000       0.000000 
1 1 1 -16 1  1  o 136.4386 3.244994 911.9337       43.33684 924.8555       61.85995 899.4795       60.73075 137.2584 4.610853 135.3620 4.590230 1.896423       6.506165 
1 1 1 -16 1  2  o 317.8998 6.128598 4962.851       190.7030 4903.225       267.5999 5024.381       271.8398 315.3310 8.678130 319.1975 8.708699 -3.866486      12.29436 
1 1 1 -16 1  3  o 151.4886 3.955563 1125.509       58.60339 1007.000       94.89709 1198.565       74.50838 142.9819 6.800049 156.2474 4.877737 -13.26550      8.368571 
1 1 1 -16 1  4  o 207.4034 4.270369 2108.798       86.69368 2133.900       123.5920 2084.483       121.6381 208.3696 6.066141 205.9443 6.040643 2.425262       8.560808 
1 1 1 -16 1  5  o 19.95794 6.369840 19.12690       14.03559 32.82333       19.65377 4.871451       20.05084 25.57879 7.418531 17.65354 7.247147 7.925245       10.37091 
1 1 1 -16 1  6  o 196.0570 4.107882 1884.232       78.83272 1917.047       112.6081 1852.692       110.3973 197.5118 5.831042 194.1676 5.815209 3.344254       8.235151 
1 1 1 -16 1  7  o 65.33231 3.171781 209.5915       20.22264 228.8752       28.80378 190.8463       28.39878 68.18592 4.338170 62.20340 4.698973 5.982521       6.395316 
1 1 1 -16 1  8  o 264.3773 5.223194 3430.010       135.1657 3420.161       190.8617 3439.920       191.4461 263.5370 7.406311 264.2975 7.407569 -0.7604980     10.47500 
1 1 1 -16 1  9  o 119.4698 3.183771 699.7593       37.19794 687.1990       52.20721 712.7108       53.01374 118.2870 4.517374 120.4671 4.503801 -2.180031      6.378941 
1 1 1 -16 1  10 o 258.9559 5.137643 3291.115       130.2255 3298.322       184.4629 3283.955       183.8717 258.7724 7.289839 258.2095 7.282334 0.5629272      10.30408 
1 1 1 -16 1  11 o 127.6650 3.273074 799.1326       40.86725 828.8845       58.88762 771.4907       56.76105 129.9025 4.638718 125.3189 4.635286 4.583580       6.557712 
1 1 1 -16 1  12 o 248.1488 4.967912 3022.223       120.6681 2964.105       168.4993 3083.406       172.8861 245.3073 7.024719 250.1895 7.066752 -4.882294      9.964220 
1 1 1 -16 1  13 o 134.2517 3.350662 883.2725       44.03082 897.6972       62.51618 869.0738       62.02468 135.1720 4.732276 132.9924 4.772392 2.179535       6.720875 
1 1 1 -16 1  14 o 191.7555 4.087698 1803.284       76.72427 1772.129       107.4023 1835.752       109.6414 189.8092 5.787589 193.1866 5.804760 -3.377426      8.197038 
1 1 1 -16 1  15 o 69.64417 3.410648 238.3005       23.17955 217.3123       32.25269 260.7221       33.33582 66.34277 5.003558 72.73420 4.707663 -6.391426      6.870057 
1 1 1 -16 1  16 o 41.07373 6.046108 84.71538       23.58130 89.15250       27.73510 73.14000       44.79679 41.99371 6.993268 38.04256 11.24645 3.951149       13.24343 
1 1 1 -16 1  17 o 131.8460 4.013204 853.4278       51.73192 871.6586       63.36818 817.0000       89.57467 133.1507 4.870279 128.5598 7.146383 4.590927       8.648145 
1 1 1 -16 1  18 o 167.1860 5.552419 1375.439       90.73720 1336.000       126.6726 1417.000       130.0371 164.3111 7.899208 169.2361 7.871532 -4.924942      11.15161 
1 1 1 -16 1  19 o 41.75505 6.760314 88.06107       26.68621 145.1000       51.13603 66.71265       31.28415 53.18164 10.19422 36.00420 8.922563 17.17744       13.54748 
1 1 1 -16 1  20 o 168.3790 4.490222 1393.003       73.93909 1275.000       124.6702 1457.030       91.83323 160.4036 7.965314 172.0485 5.460004 -11.64487      9.657012 
1 1 1 -16 1  21 o 128.9009 4.107488 816.3482       51.75873 689.2000       87.96053 883.6910       64.01448 117.8357 7.667782 134.0115 4.888306 -16.17574      9.093427 
1 1 1 -16 1  22 o 70.40495 4.235205 244.2494       29.05168 223.8000       46.15429 257.6681       37.38747 66.94483 7.154280 72.18147 5.329269 -5.236641      8.921033 
1 1 1 -16 1  23 o 74.97017 4.341185 277.0224       31.72060 289.4000       45.00191 264.8000       44.71885 76.38235 6.068963 73.00021 6.320568 3.382133       8.762527 
1 1 1 -16 1  24 o 44.11119 8.408344 99.78000       34.98003 0.000000       0.000000 99.78000       34.98003 ?        ?        44.11119 8.408344 ?              ?        
1 1 1 -16 1  25 o 145.3539 4.015757 1038.819       57.08001 1087.938       72.11005 956.4000       93.40823 148.5734 4.965457 138.8340 6.895158 9.739380       8.496998 
1 1 1 -16 1  26 o 105.1491 4.281333 544.6936       43.97256 571.8000       62.60500 518.3000       61.77646 107.4080 5.978377 102.1934 6.205054 5.214584       8.616478 
1 1 1 -16 1  27 o 49.65100 4.844096 122.6554       23.24314 124.2626       27.37158 118.5000       44.01120 49.82067 5.716277 47.69656 9.756201 2.124119       11.30749 
1 1 1 -16 1  28 o 95.45815 3.188002 448.0541       29.74597 431.0499       41.43488 466.1373       42.72927 93.40109 4.545841 97.14449 4.505944 -3.743393      6.400640 
1 1 1 -16 1  29 o 50.94234 4.059390 128.6458       20.07434 125.1746       28.25407 132.1844       28.52670 49.89228 5.899500 51.31476 5.779823 -1.422482      8.258962 
1 1 1 -16 1  30 o 57.99139 3.793808 166.3781       21.41677 175.5302       30.18956 157.1059       30.38718 59.28662 5.256709 55.98127 5.621513 3.305355       7.696388 
1 1 1 -16 1  31 o 64.47313 3.675524 205.5303       23.09943 192.6514       32.12017 219.3259       33.24384 62.05927 5.339542 66.28876 5.164199 -4.229500      7.428302 
1 1 1 -16 1  32 o 56.33202 3.973264 157.4916       21.76777 169.5346       31.04914 145.8509       30.52606 58.09241 5.526904 53.74493 5.899525 4.347485       8.084001 
1 1 1 -16 1  33 o 11.35795 5.466920 -26.39748      17.92869 -27.43703      24.82603 -25.26436      25.91927 14.24335 6.736335 14.91873 7.002143 -0.6753807     9.716389 
1 1 1 -16 1  34 o 65.54318 3.839364 213.2323       24.52376 207.2070       33.97221 219.7888       35.43787 64.14984 5.462209 66.05831 5.531416 -1.908470      7.773821 
1 1 1 -16 1  35 o 49.51405 4.697278 123.1310       22.49341 157.8448       31.47435 86.89376       32.15762 55.75223 5.854763 40.34983 8.414933 15.40240       10.25131 
1 1 1 -16 1  36 o 62.83928 4.081855 196.8520       24.97115 193.6286       34.72160 200.3054       35.93893 61.74788 5.813148 62.77063 5.919168 -1.022743      8.296339 
1 1 1 -16 1  37 o 47.88299 5.080677 116.0963       23.44973 128.8060       33.30127 103.5956       33.02631 49.74551 7.035239 44.16768 7.930667 5.577831       10.60142 
1 1 1 -16 1  38 o 13.74327 6.416284 -18.56171      21.28542 -37.18925      30.09680 0.7903768E-01  30.10747 15.10303 7.220025 19.64973 8.506697 -4.546697      11.15763 
1 1 1 -16 1  39 o 48.74979 5.189354 120.9228       24.38224 126.2029       34.61000 115.7202       34.35480 48.86649 7.472831 46.60149 7.807410 2.264996       10.80735 
1 1 1 -16 1  40 o 79.97575 3.906657 319.5194       30.48975 335.7738       42.72687 302.6543       43.52216 81.24851 5.403240 76.88433 5.826553 4.364182       7.946302 
1 1 1 -16 1  41 o 27.52418 8.917448 41.01934       27.43677 29.34509       31.68262 76.03000       54.86644 25.14997 9.465981 35.89285 12.60852 -10.74289      15.76641 
1 1 1 -16 1  42 f 14.70681 6.784329 -14.42305      22.73304 -59.32070      32.23292 30.01210       32.06647 13.87509 6.820424 25.15889 9.511279 -11.28379      11.70396 
1 1 1 -16 1  43 o 39.33513 9.387036 89.63544       35.63778 0.000000       0.000000 89.63544       35.63778 ?        ?        39.33513 9.387036 ?              ?        
1 1 1 -16 1  44 o 27.03010 8.880454 40.82713       27.16266 25.13000       42.60024 51.58092       35.26002 25.52903 10.53047 29.86411 10.12450 -4.335083      14.60809 
1 1 1 -16 1  45 o 81.38741 4.501872 337.3914       35.72411 317.1981       44.30893 374.9000       60.38824 77.86460 5.856520 83.00893 7.513551 -5.144325      9.526399 
1 1 1 -16 1  46 o 23.89623 8.672079 29.62083       26.16858 17.19509       32.53720 52.38000       44.03493 22.31661 9.203980 29.99877 11.18672 -7.682159      14.48640 
1 1 1 -16 1  47 o 20.08310 7.991749 15.80381       23.54577 49.30683       33.30415 -17.67747      33.29335 28.88917 9.839059 17.52440 8.128236 11.36477       12.76226 
1 1 1 -16 1  48 o 43.93911 6.216428 103.9445       25.99031 94.54819       36.87473 113.2206       36.63813 39.46859 9.631232 44.00450 8.813616 -4.535908      13.05528 
1 1 1 -16 1  49 o 39.26315 6.900070 85.45001       25.55089 72.43327       36.09533 98.52328       36.17362 33.92388 10.11191 40.36117 9.341351 -6.437290      13.76632 
1 1 1 -16 1  50 o 26.53842 8.377120 41.36604       24.33258 43.52266       34.51193 39.23436       34.31187 27.10970 9.940385 26.20127 9.853238 0.9084358      13.99634 
1 1 1 -16 1  51 o 55.79091 5.012445 163.1241       27.08134 183.9616       38.58525 142.8942       38.01862 57.56306 6.991287 49.70739 8.092017 7.855675       10.69387 
1 1 1 -16 1  52 o 24.48216 8.364138 34.51903       24.07092 31.53090       34.49817 37.35398       33.60235 24.53155 9.701796 25.60508 9.723443 -1.073532      13.73573 
1 1 1 -16 1  53 o 37.71609 7.040036 80.41068       25.03444 82.81800       36.11228 78.18337       34.73592 35.93204 9.934844 35.03154 9.765599 0.9005051      13.93083 
1 1 1 -16 1  54 o 44.86248 7.140406 113.5894       30.30552 137.4186       37.73880 70.32000       50.85382 48.38783 8.264458 31.66035 11.97581 16.72748       14.55065 
1 1 1 -16 1  55 o 16.48853 7.553367 -9.061255      27.50602 -28.23721      33.11826 33.58000       49.38601 16.03250 7.639244 25.95477 11.05905 -9.922270      13.44100 
1 1 1 -16 1  56 o 19.20869 8.716311 -3.378970      35.53275 -4.825000      48.84085 -1.753000      51.79059 21.58976 9.953990 22.33713 10.28106 -0.7473698     14.31021 
1 1 1 -16 1  57 o 23.92511 9.658367 30.63815       34.90742 0.000000       0.000000 30.63815       34.90742 ?        ?        23.92511 9.658367 ?              ?        
1 1 1 -16 1  58 o 14.50728 6.907454 -23.20672      26.97616 -10.56722      33.67112 -45.86000      45.07732 17.65649 8.184210 17.28302 8.401964 0.3734646      11.72921 
1 1 1 -16 2  1  o 191.2564 5.733254 1797.184       107.2094 2044.000       164.2567 1614.000       141.5078 203.5669 8.260621 180.8968 8.011651 22.67012       11.50758 
1 1 1 -16 2  2  o 184.3796 3.910062 1666.126       70.56717 1702.438       101.2542 1631.832       98.40108 186.1628 5.562901 182.2630 5.521999 3.899765       7.838261 
1 1 1 -16 2  3  o 176.7476 5.451547 1534.533       94.20197 1653.000       139.7972 1436.000       127.4945 183.1027 7.818047 170.6658 7.651463 12.43687       10.93923 
1 1 1 -16 2  4  o 208.6920 4.295966 2135.161       87.75521 2190.338       126.2593 2083.596       122.0566 211.0986 6.116884 205.8940 6.062957 5.204514       8.612533 
1 1 1 -16 2  5  o 104.2974 4.509860 534.3898       45.93197 569.4000       68.18266 505.3000       62.15078 107.4537 6.513139 101.2273 6.303814 6.226433       9.064163 
1 1 1 -16 2  6  o 83.95740 2.984478 345.7092       24.48737 364.0303       35.40644 328.9107       33.90319 86.06857 4.215554 81.79836 4.248944 4.270203       5.985351 
1 1 1 -16 2  7  o 57.08332 3.505806 160.2668       19.49410 161.2818       27.17426 159.1907       27.98109 57.12970 4.906968 56.73415 5.092775 0.3955498      7.072106 
1 1 1 -16 2  8  o 222.5662 4.536182 2429.326       98.82249 2418.578       139.5407 2440.141       139.9725 221.7510 6.435596 222.7397 6.426779 -0.9886475     9.095075 
1 1 1 -16 2  9  o 79.39147 3.117262 309.2620       24.17733 330.8506       34.49998 288.4276       33.89196 82.02870 4.311959 76.55256 4.543480 5.476143       6.263881 
1 1 1 -16 2  10 o 178.5930 3.875361 1563.529       67.74589 1578.923       96.55012 1548.599       95.08108 179.2388 5.509732 177.5119 5.478739 1.726944       7.770053 
1 1 1 -16 2  11 o 221.9283 4.539262 2416.020       98.60619 2351.216       137.3157 2485.015       141.6875 218.5870 6.424824 224.7211 6.448081 -6.134140      9.102533 
1 1 1 -16 2  12 o 98.99775 3.125213 480.6700       30.24592 484.8349       42.69997 476.4760       42.84880 99.32317 4.403028 98.45638 4.457759 0.8667831      6.265642 
1 1 1 -16 2  13 o 141.5583 3.432801 982.1121       47.56530 1009.072       68.04652 956.3521       66.51463 143.3051 4.858100 139.5045 4.878559 3.800537       6.884873 
1 1 1 -16 2  14 o 180.0019 3.932166 1588.772       69.28115 1564.021       97.24064 1614.288       98.73310 178.3358 5.577470 181.1822 5.573882 -2.846420      7.885198 
1 1 1 -16 2  15 o 24.12463 7.725008 28.02560       20.62999 23.69124       23.80521 41.10000       41.34472 23.47721 8.300161 30.83381 10.93500 -7.356602      13.72833 
1 1 1 -16 2  16 o 89.43851 3.768315 392.9262       32.91574 379.2562       38.91425 427.3000       61.70750 87.79235 4.543872 92.90440 6.833529 -5.112045      8.206332 
1 1 1 -16 2  17 o 51.84502 4.991147 133.2096       25.01610 120.6932       29.19334 167.8000       48.53125 49.14615 6.206761 57.59088 8.895459 -8.444729      10.84680 
1 1 1 -16 2  18 o 202.3863 4.290428 2009.920       84.99393 1962.963       118.4363 2059.780       122.0440 199.6561 6.067367 204.5175 6.103318 -4.861450      8.606011 
1 1 1 -16 2  19 o 70.61160 4.579219 245.8119       31.47930 223.3000       58.57146 254.9558       37.32894 66.50904 9.246767 71.82520 5.347991 -5.316154      10.68193 
1 1 1 -16 2  20 o 252.6134 5.921045 3140.749       146.4067 2825.000       239.1455 3330.035       185.1616 238.0238 10.28874 259.6383 7.293003 -21.61450      12.61135 
1 1 1 -16 2  21 o 90.19231 4.984204 401.0263       43.83083 0.000000       0.000000 401.0263       43.83083 ?        ?        90.19231 4.984204 ?              ?        
1 1 1 -16 2  22 o 92.47655 6.509400 423.8000       58.54576 0.000000       0.000000 423.8000       58.54576 ?        ?        92.47655 6.509400 ?              ?        
1 1 1 -16 2  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 2  24 o 104.0373 3.723935 532.0173       37.86136 506.3801       47.03591 579.2000       63.80967 101.3574 4.754224 108.1878 6.049722 -6.830330      7.694270 
1 1 1 -16 2  25 o 110.4008 3.639047 599.0835       39.27103 622.3789       49.40391 559.1000       64.72421 112.4031 4.499408 106.1985 6.254161 6.204575       7.704492 
1 1 1 -16 2  26 o 125.7392 3.795829 777.5544       46.66444 784.1553       57.96704 765.4000       78.65870 126.1089 4.704259 124.1724 6.494229 1.936485       8.019044 
1 1 1 -16 2  27 o 124.1304 4.493522 759.8560       54.50720 727.3000       74.80839 796.7000       79.58259 120.9842 6.339184 126.6086 6.442864 -5.624390      9.038570 
1 1 1 -16 2  28 o 96.30463 3.716967 456.8164       34.97245 443.9274       41.44275 488.7000       65.18123 94.79751 4.478940 98.90044 6.774050 -4.102936      8.120878 
1 1 1 -16 2  29 o 104.1354 3.856589 534.6732       39.24254 470.1000       67.91840 567.0335       48.08039 96.72810 7.225667 107.0803 4.597962 -10.35220      8.564550 
1 1 1 -16 2  30 o 102.2417 4.362717 517.0681       43.56042 514.1000       60.79268 520.2000       62.44815 101.4205 6.152721 101.9761 6.286828 -0.5556183     8.796600 
1 1 1 -16 2  31 o 76.04182 3.437050 285.3405       25.51646 321.3344       36.33257 250.3084       35.84385 80.44302 4.633863 70.82478 5.206783 9.618240       6.970170 
1 1 1 -16 2  32 o 88.76406 3.335473 388.6804       28.92861 369.7944       40.17241 409.0225       41.69240 86.21822 4.778867 90.70878 4.711863 -4.490555      6.711126 
1 1 1 -16 2  33 o 76.01258 3.552963 285.7887       26.36204 279.0047       36.89692 292.8630       37.67847 74.69460 5.076722 76.54110 5.057468 -1.846504      7.165967 
1 1 1 -16 2  34 o 60.01564 3.975873 179.0957       23.22458 189.5889       32.24610 167.7859       33.47754 61.35107 5.425551 57.49061 6.039148 3.860462       8.118369 
1 1 1 -16 2  35 o ?        ?        -70.31611      18.90503 -70.48893      25.62153 -70.10957      28.00924 11.08461 5.551906 11.96980 5.965873 -0.8851976     8.149559 
1 1 1 -16 2  36 o 78.50964 3.677537 305.8799       28.18238 327.0847       39.45820 283.7981       40.26588 80.71936 5.018884 74.96612 5.526237 5.753242       7.465151 
1 1 1 -16 2  37 o 39.48050 5.896642 80.30403       22.09002 56.36466       30.07600 108.3447       32.55054 32.20641 9.125892 45.32188 7.606662 -13.11547      11.88037 
1 1 1 -16 2  38 o 62.19099 4.232320 193.5506       25.61042 187.5004       35.62808 200.0193       36.83949 60.49928 6.099578 62.50370 6.098958 -2.004429      8.625668 
1 1 1 -16 2  39 o 25.12186 8.102671 32.78627       22.66786 -1.043590      31.11802 71.03243       33.08687 19.71381 8.590227 35.77547 9.347171 -16.06167      12.69494 
1 1 1 -16 2  40 o 35.86747 8.139166 70.34200       27.91773 70.83093       32.48299 68.96000       54.61129 35.57833 9.244596 35.01102 12.55102 0.5673027      15.58816 
1 1 1 -16 2  41 o 37.48266 6.747092 74.84788       23.84425 86.11818       32.99236 62.52411       34.49986 39.27697 8.800266 33.11515 9.889524 6.161823       13.23810 
1 1 1 -16 2  42 o 44.13890 6.632711 103.5528       27.77086 108.4000       43.41649 100.1963       36.12819 42.86926 10.44433 42.05746 9.044850 0.8118019      13.81641 
1 1 1 -16 2  43 o 24.91203 8.952188 31.97851       27.80175 51.10000       45.28074 20.40844       35.22255 30.34906 11.33857 23.66941 9.647880 6.679647       14.88774 
1 1 1 -16 2  44 o 25.15059 9.213870 32.60845       29.64130 51.35000       53.55370 24.33133       35.58988 30.69234 12.10355 24.29812 9.772248 6.394220       15.55612 
1 1 1 -16 2  45 o 15.17683 6.982925 -13.07934      23.86222 -78.19146      33.27598 55.84835       34.23708 12.95329 6.463386 30.72139 9.962091 -17.76810      11.87513 
1 1 1 -16 2  46 o 53.98812 5.746559 153.2351       29.90162 175.1622       37.67256 115.9000       49.15782 56.92573 6.901793 42.57804 11.51855 14.34769       13.42802 
1 1 1 -16 2  47 o 27.46566 8.941502 43.62704       27.56645 58.45281       34.81985 18.73000       45.12239 31.02295 10.04546 24.55563 10.51963 6.467316       14.54558 
1 1 1 -16 2  48 o 23.90371 8.460188 30.99420       24.73753 11.81701       35.03494 50.06057       34.93357 21.69519 9.281281 28.91741 10.06762 -7.222221      13.69304 
1 1 1 -16 2  49 o 30.83264 8.172747 55.68596       25.06029 68.15034       36.18599 44.19818       34.73946 32.86034 10.19282 27.42974 9.986325 5.430605       14.26956 
1 1 1 -16 2  50 o 29.43409 8.266961 51.30972       24.79361 28.58727       35.62530 72.65321       34.52738 24.26857 9.771247 33.96595 9.827385 -9.697384      13.85838 
1 1 1 -16 2  51 o 28.63317 8.321603 48.83707       24.70682 27.47813       35.44346 69.02571       34.45877 23.95995 9.710650 32.94655 9.894011 -8.986603      13.86319 
1 1 1 -16 2  52 o 42.55164 6.396303 99.50498       25.81755 121.4262       37.15491 79.03905       35.90045 45.10344 8.731487 35.11200 9.977613 9.991436       13.25864 
1 1 1 -16 2  53 o 35.50849 8.453521 75.64111       28.95685 83.50755       36.53453 62.35000       47.48919 36.00991 10.00664 30.44870 11.56014 5.561218       15.28952 
1 1 1 -16 2  54 o 39.81620 8.154055 93.43420       30.70876 107.3953       37.40105 64.55000       53.79647 41.60976 9.404864 30.67001 12.11968 10.93975       15.34073 
1 1 1 -16 2  55 o 15.22564 6.980003 -9.293626      23.54710 -20.09837      34.17775 0.4690077      32.48775 17.08414 8.025482 19.03012 8.510092 -1.945986      11.69744 
1 1 1 -16 2  56 o 52.24912 6.307102 150.0231       31.60448 167.5000       55.18827 141.4948       38.55200 49.22355 11.63867 48.82275 8.368093 0.4007988      14.33470 
1 1 1 -16 2  57 o 13.33008 6.509047 -40.66050      27.90343 -66.34000      50.31113 -29.25231      33.53352 17.30871 8.510788 15.92863 7.616444 1.380078       11.42120 
1 1 1 -16 2  58 o 23.19863 8.910257 30.86939       28.42557 -21.62000      49.58923 56.55691       34.69067 19.82495 9.418234 28.86595 10.03359 -9.041002      13.76140 
1 1 1 -16 3  1  o 227.0268 4.580919 2527.391       101.7972 2527.698       144.3000 2527.087       143.6284 226.7248 6.508951 226.7022 6.479239 0.2261353E-01  9.184061 
1 1 1 -16 3  2  f 287.3174 5.610929 4051.969       157.7985 4135.338       227.3861 3974.521       219.1626 289.7083 8.026303 284.0470 7.890254 5.661285       11.25512 
1 1 1 -16 3  3  o 218.0030 4.445419 2330.243       94.85962 2341.774       134.8145 2318.937       133.4987 218.2467 6.317424 217.1839 6.286377 1.062805       8.912260 
1 1 1 -16 3  4  o 299.9229 5.820025 4416.514       170.8601 4443.080       242.8256 4390.465       240.4573 300.2255 8.270936 298.4494 8.239041 1.776062       11.67434 
1 1 1 -16 3  5  o 201.6833 4.193609 1994.094       82.78737 1998.823       117.5660 1989.443       116.5980 201.6624 5.962495 201.1933 5.927139 0.4691010      8.407278 
1 1 1 -16 3  6  o 103.0811 3.039214 520.9554       30.63177 478.3744       42.42853 567.3124       44.26982 98.67506 4.403926 107.4895 4.215784 -8.814491      6.096508 
1 1 1 -16 3  7  o 143.6920 3.413253 1011.679       48.00730 1040.094       69.41326 985.6239       66.46764 145.5272 4.879852 141.6691 4.800172 3.858170       6.845043 
1 1 1 -16 3  8  o 218.7723 4.475545 2347.175       95.83950 2381.558       137.0824 2314.299       134.0437 220.0482 6.371110 216.9248 6.319669 3.123474       8.973810 
1 1 1 -16 3  9  o 12.69844 5.674287 -6.264527      14.41422 -14.73038      18.99285 5.234994       22.13577 13.51694 6.223065 18.50653 7.607831 -4.989592      9.828816 
1 1 1 -16 3  10 o 67.72176 3.229782 225.2228       21.34785 253.0788       30.13963 197.1782       30.24147 71.70803 4.313967 63.19894 4.927547 8.509094       6.549124 
1 1 1 -16 3  11 o 41.93646 4.391989 87.19843       17.76139 94.06909       24.64159 79.76901       25.62401 43.35263 5.964883 39.71229 6.838708 3.640343       9.074567 
1 1 1 -16 3  12 o 104.0963 3.137952 531.4209       31.93682 520.1202       44.89816 542.9948       45.43763 102.8731 4.469492 105.1192 4.425886 -2.246140      6.290058 
1 1 1 -16 3  13 o 79.49974 3.215265 310.2136       24.96846 312.9149       34.91233 307.3853       35.72309 79.73707 4.491294 79.01225 4.639421 0.7248154      6.457240 
1 1 1 -16 3  14 o 52.43052 4.529076 135.8817       23.01575 164.4039       27.18747 63.74000       43.23847 57.67040 4.861486 35.88039 11.14392 21.79000       12.15816 
1 1 1 -16 3  15 o 48.29996 4.954383 115.7294       23.09136 105.3504       26.60738 147.4000       46.47862 45.89357 6.071858 53.86727 9.141442 -7.973698      10.97422 
1 1 1 -16 3  16 o 224.2872 5.337156 2471.415       117.1712 2367.881       139.4530 2720.000       216.0849 219.2412 6.505490 234.1625 9.446983 -14.92131      11.47026 
1 1 1 -16 3  17 o 46.99700 4.452894 109.3595       20.23985 78.02966       27.04610 149.2374       30.51348 39.16254 7.324698 54.79431 5.775977 -15.63177      9.328082 
1 1 1 -16 3  18 o 262.1247 5.233670 3376.094       134.2828 3260.744       185.7418 3502.398       194.3605 256.9990 7.391342 266.3371 7.462743 -9.338074      10.50354 
1 1 1 -16 3  19 o 98.29042 3.362332 474.1931       32.30116 466.6171       45.00737 482.2400       46.38527 97.36203 4.736888 98.97446 4.802295 -1.612434      6.745379 
1 1 1 -16 3  20 o 29.85346 9.344747 43.87893       30.34045 0.000000       0.000000 43.87893       30.34045 ?        ?        29.85346 9.344747 ?              ?        
1 1 1 -16 3  21 o 96.21883 6.462561 458.4000       60.51249 0.000000       0.000000 458.4000       60.51249 ?        ?        96.21883 6.462561 ?              ?        
1 1 1 -16 3  22 o 38.09774 8.620674 74.81337       31.39424 0.000000       0.000000 74.81337       31.39424 ?        ?        38.09774 8.620674 ?              ?        
1 1 1 -16 3  23 o 175.1573 4.574257 1508.971       78.35794 1450.000       136.3412 1538.056       95.75109 170.7720 8.180292 176.6346 5.544979 -5.862640      9.882508 
1 1 1 -16 3  24 o 169.3415 3.820747 1408.055       63.33122 1339.154       87.57765 1483.581       91.69167 164.7837 5.437108 173.4583 5.407036 -8.674637      7.667997 
1 1 1 -16 3  25 o 103.4276 3.203283 525.3762       32.39022 504.4005       44.90168 548.1325       46.76873 101.1589 4.546359 105.4622 4.541211 -4.303307      6.425883 
1 1 1 -16 3  26 o 112.7041 3.679529 624.6984       40.53738 619.6803       49.93264 634.4000       69.42782 112.1042 4.559988 113.0514 6.299006 -0.9471359     7.776308 
1 1 1 -16 3  27 o 69.89684 3.789452 240.9008       25.82932 220.6710       31.57762 281.8000       44.89938 66.72214 4.868582 75.18396 6.154938 -8.461823      7.847697 
1 1 1 -16 3  28 o 115.3579 4.394644 656.8094       49.53160 617.3000       67.23515 703.7000       73.24686 111.3656 6.192306 118.8861 6.317036 -7.520508      8.845881 
1 1 1 -16 3  29 o 67.87019 4.087852 227.8229       27.03104 230.5229       31.86918 220.9000       51.03123 68.13703 4.809287 65.83575 8.088764 2.301285       9.410491 
1 1 1 -16 3  30 o 104.8911 3.259378 541.6990       33.42353 501.0751       45.71582 588.3500       48.98986 100.5617 4.657023 109.0000 4.602054 -8.438309      6.547272 
1 1 1 -16 3  31 o 142.7639 4.865989 1011.368       67.89855 975.3000       93.28777 1052.000       99.01398 139.2502 6.865366 144.5463 7.019135 -5.296127      9.818427 
1 1 1 -16 3  32 o 59.26717 3.875740 174.1855       22.36072 152.8699       30.60141 198.6051       32.75386 55.05835 5.763516 62.94238 5.367511 -7.884026      7.875804 
1 1 1 -16 3  33 o 104.2192 3.377892 536.3015       34.41323 559.4868       49.43890 514.5086       47.93143 105.9883 4.777740 101.6096 4.833105 4.378746       6.796006 
1 1 1 -16 3  34 o 11.72980 5.623832 -25.57352      18.55329 -29.04854      25.35884 -21.57084      27.21613 14.25065 6.759904 15.81064 7.338753 -1.559985      9.977655 
1 1 1 -16 3  35 o 97.48792 3.463005 470.2458       32.99285 445.3420       45.76824 497.1870       47.60374 94.32297 4.974837 99.71162 4.892344 -5.388657      6.977394 
1 1 1 -16 3  36 o 67.37027 3.972647 225.9740       26.08089 226.2135       36.06591 225.7115       37.76031 66.86784 5.560549 66.68044 5.844398 0.1874008      8.067013 
1 1 1 -16 3  37 o 22.20329 7.820951 23.15179       21.12073 49.09767       28.53140 -8.303285      31.41480 30.21090 8.986559 18.86149 8.405968 11.34941       12.30522 
1 1 1 -16 3  38 o 14.76043 6.722154 -11.52733      21.37337 -19.03057      28.88822 -2.452518      31.76987 16.58696 7.650287 19.74718 8.640693 -3.160219      11.54073 
1 1 1 -16 3  39 o 23.51521 8.632212 25.16692       26.03770 9.510625       30.28480 69.54000       50.98471 21.20744 8.824949 35.29288 12.16903 -14.08544      15.03214 
1 1 1 -16 3  40 o 76.89196 3.944418 295.6593       29.58805 317.2323       41.60329 273.5800       42.08857 78.92277 5.418288 72.97710 5.943537 5.945671       8.042604 
1 1 1 -16 3  41 o 31.27061 7.785833 53.75458       23.73898 45.83224       32.83192 62.43380       34.36448 28.97743 9.769892 33.06370 9.869133 -4.086269      13.88706 
1 1 1 -16 3  42 o 48.88624 6.098035 125.2898       28.54708 148.8000       43.96022 108.1461       37.53922 51.44423 9.060908 43.68485 9.075894 7.759380       12.82466 
1 1 1 -16 3  43 o 22.34185 8.248687 23.81520       23.83211 37.73034       33.57571 9.685856       33.83314 26.81521 9.809110 21.59828 9.176368 5.216927       13.43221 
1 1 1 -16 3  44 o 49.50478 5.506665 127.7606       26.23241 112.2174       37.06480 143.3599       37.13174 44.32053 8.853790 51.10616 7.658350 -6.785625      11.70641 
1 1 1 -16 3  45 o 58.31884 5.687303 178.0104       32.05342 206.6000       59.69195 166.4264       37.99625 58.34878 10.85075 55.34136 7.183658 3.007423       13.01321 
1 1 1 -16 3  46 o 37.71523 7.115606 78.38417       25.30558 29.19577       35.70491 128.0303       35.87065 24.97421 9.872171 47.84491 7.937483 -22.87070      12.66742 
1 1 1 -16 3  47 o 16.90106 7.582006 -5.323807      26.01053 -1.675271      33.43105 -10.92000      41.40350 19.49162 8.680127 20.29596 9.286108 -0.8043327     12.71127 
1 1 1 -16 3  48 o 28.72195 8.827321 48.61537       27.21414 69.24846       35.33458 18.53000       42.66733 33.43837 10.01373 24.00471 10.25520 9.433666       14.33331 
1 1 1 -16 3  49 o 18.21348 7.708033 7.386240       23.71472 20.56327       34.83098 -4.000522      32.37852 22.89464 9.490176 18.72612 8.425207 4.168522       12.69045 
1 1 1 -16 3  50 o 43.31622 6.086242 101.6088       25.09432 120.7654       37.62743 86.26292       33.67762 45.05742 8.847534 37.58344 9.224339 7.473980       12.78152 
1 1 1 -16 3  51 o 21.79210 8.239111 24.04388       24.06321 28.53181       35.52237 20.23795       32.71212 24.15363 9.745754 22.30920 9.217517 1.844427       13.41426 
1 1 1 -16 3  52 o 26.94864 8.955920 43.77529       27.60129 47.19075       35.24663 38.36000       44.38163 27.69358 10.06242 26.50060 10.81930 1.192989       14.77530 
1 1 1 -16 3  53 o 24.49062 9.895185 30.55690       36.67533 -4.376000      51.73789 65.84000       51.99657 22.27939 10.26221 30.93432 12.00556 -8.654926      15.79388 
1 1 1 -16 3  54 o 34.91010 7.634550 70.85392       25.35970 71.44976       36.47844 70.29660       35.27966 33.03640 10.23169 32.92278 10.03780 0.1136284      14.33335 
1 1 1 -16 3  55 o 17.68319 7.880674 -0.5374453     27.60972 -30.31000      49.05784 13.26446       33.40180 19.52789 9.302741 21.04980 9.034903 -1.521915      12.96805 
1 1 1 -16 3  56 o 24.10740 8.498122 33.82343       24.94005 41.73076       36.27526 26.73525       34.34497 26.28925 10.07366 23.36014 9.525007 2.929113       13.86378 
1 1 1 -16 3  57 o 30.53971 9.161361 59.71855       29.55622 45.34000       50.33493 67.28506       36.51402 27.11497 11.33731 31.45914 10.29404 -4.344162      15.31345 
1 1 1 -16 3  58 o 36.98314 7.645141 81.56570       26.76051 109.7994       39.05391 56.57582       36.74197 40.61017 9.912916 28.67575 10.29303 11.93442       14.29029 
1 1 1 -16 4  1  f 234.2401 6.671216 2698.797       152.8023 0.000000       0.000000 2698.797       152.8023 ?        ?        234.2401 6.671216 ?              ?        
1 1 1 -16 4  2  o 99.36584 4.112525 484.8260       39.91280 0.000000       0.000000 484.8260       39.91280 ?        ?        99.36584 4.112525 ?              ?        
1 1 1 -16 4  3  o 243.4999 4.861325 2908.393       115.8670 2960.877       166.2550 2858.827       161.5669 245.3056 6.931010 241.0520 6.854516 4.253632       9.747989 
1 1 1 -16 4  4  o 142.7116 3.359608 997.8558       46.93040 988.1866       66.60356 1007.390       66.13809 141.8572 4.803598 143.2384 4.723679 -1.381165      6.737039 
1 1 1 -16 4  5  o 197.3573 4.134912 1909.450       79.87773 1897.752       113.0777 1921.102       112.8510 196.4965 5.885804 197.7095 5.837777 -1.213043      8.289893 
1 1 1 -16 4  6  o 288.3343 5.630851 4081.636       158.9193 4073.935       224.9295 4089.312       224.5625 287.4937 8.000819 288.0433 7.972435 -0.5496826     11.29481 
1 1 1 -16 4  7  o 291.3111 5.680871 4166.885       161.9863 4197.525       230.5294 4137.002       227.6638 291.7838 8.079367 289.6821 8.036852 2.101654       11.39593 
1 1 1 -16 4  8  o 182.4339 3.919645 1631.494       69.99360 1578.217       97.42514 1688.328       100.6242 179.1992 5.561022 185.3521 5.552499 -6.152863      7.858449 
1 1 1 -16 4  9  o 95.26280 3.088445 445.0685       28.76041 449.7677       41.10129 440.5599       40.25853 95.66306 4.401191 94.68082 4.355667 0.9822388      6.192117 
1 1 1 -16 4  10 o 132.3730 3.314951 859.1749       42.91816 864.2543       60.91937 854.1695       60.47397 132.6402 4.699599 131.8638 4.692774 0.7764130      6.641413 
1 1 1 -16 4  11 o 148.5748 3.488941 1081.874       50.73935 1077.049       71.78159 1086.691       71.73099 148.0547 4.960191 148.7197 4.934395 -0.6650085     6.996553 
1 1 1 -16 4  12 o 211.9643 4.393171 2203.957       91.14796 2150.927       127.3793 2259.601       130.4821 209.0637 6.231594 214.2853 6.227492 -5.221603      8.809904 
1 1 1 -16 4  13 o 187.1956 4.650626 1719.594       85.21447 1705.406       103.7556 1749.000       149.3689 186.2113 5.699158 188.1036 8.131748 -1.892288      9.930041 
1 1 1 -16 4  14 o 72.68101 3.791391 259.7093       26.87952 250.7524       31.66652 282.8000       50.84420 71.33984 4.558694 75.46793 6.961327 -4.128090      8.321164 
1 1 1 -16 4  15 o 99.27261 3.692726 483.8514       35.81996 467.4228       42.49112 524.2000       66.59032 97.49814 4.464262 102.9837 6.641379 -5.485519      8.002347 
1 1 1 -16 4  16 o 125.3404 3.351950 770.6057       41.08704 763.1549       57.81465 778.2084       58.40150 124.5917 4.749396 125.8161 4.750751 -1.224396      6.717618 
1 1 1 -16 4  17 o 53.06047 4.129204 138.9509       21.27715 138.2506       28.50862 139.8316       31.96861 52.73897 5.608444 52.93866 6.292394 -0.1996841     8.429049 
1 1 1 -16 4  18 o 78.79189 3.454688 304.9551       26.57906 309.9834       36.82483 299.4869       38.40167 79.30997 4.765568 77.91563 5.062641 1.394341       6.952767 
1 1 1 -16 4  19 o 111.8859 3.762819 614.7199       41.15065 621.8000       66.08364 610.2357       52.59162 112.2367 6.037458 111.3555 4.836547 0.8811874      7.735832 
1 1 1 -16 4  20 o 135.3804 4.758747 901.5049       62.96204 931.8000       89.33170 871.6000       88.75465 137.3120 6.666390 132.7547 6.853425 4.557266       9.560867 
1 1 1 -16 4  21 o 17.24852 7.638888 -8.452798      25.53516 25.23000       52.92442 -18.67299      29.15289 30.18189 11.99094 17.17924 7.834157 13.00265       14.32329 
1 1 1 -16 4  22 o 160.0935 5.258594 1262.345       82.29242 0.000000       0.000000 1262.345       82.29242 ?        ?        160.0935 5.258594 ?              ?        
1 1 1 -16 4  23 o 127.7770 4.011280 802.5337       50.10761 714.8000       88.63156 843.7476       60.74732 119.9006 7.590948 130.9079 4.748706 -11.00726      8.953920 
1 1 1 -16 4  24 o 207.0136 5.084344 2109.829       103.0244 1905.000       171.3872 2225.720       128.9161 195.2908 8.989944 212.2260 6.212552 -16.93526      10.92771 
1 1 1 -16 4  25 o 148.7547 3.582353 1086.536       52.16092 1048.196       72.79445 1126.996       74.77895 145.7719 5.109642 151.1694 5.060831 -5.397583      7.191693 
1 1 1 -16 4  26 o 116.5311 3.802431 668.1075       43.31392 737.5000       80.59102 639.9213       51.36281 121.7574 6.789040 113.9012 4.616525 7.856171       8.209955 
1 1 1 -16 4  27 o 104.1961 3.605625 534.2474       36.71838 526.9573       45.14248 548.5000       63.12029 103.3306 4.473839 105.0364 6.166485 -1.705757      7.618450 
1 1 1 -16 4  28 f 67.52787 3.811142 225.0978       25.08870 201.6933       30.42768 274.8000       44.34117 63.72186 4.916353 74.15810 6.164292 -10.43623      7.884734 
1 1 1 -16 4  29 o 108.1968 4.340102 578.5094       45.87101 533.0000       61.54148 635.4000       68.80784 103.3543 6.110483 112.8265 6.254944 -9.472237      8.744273 
1 1 1 -16 4  30 o 62.69641 3.716281 194.3448       22.70412 213.1111       31.64612 174.4402       32.59171 65.41007 4.980198 58.96892 5.718169 6.441151       7.582865 
1 1 1 -16 4  31 o 67.35901 4.136619 224.9720       27.14236 203.9638       32.64669 272.0000       48.84543 63.86221 5.269478 73.29971 6.888682 -9.437496      8.673023 
1 1 1 -16 4  32 o 75.31496 3.483253 280.2827       25.60913 259.8137       35.13341 303.4867       37.40696 72.13696 5.006793 78.01443 4.923707 -5.877472      7.022170 
1 1 1 -16 4  33 o 34.32107 5.928689 60.63009       19.19712 55.06615       25.76535 67.57324       28.78214 32.19026 8.165892 35.61637 8.394243 -3.426109      11.71090 
1 1 1 -16 4  34 o 30.34127 6.749676 48.32667       19.52836 29.13848       26.61875 70.69076       28.73732 24.90341 8.779401 36.40879 8.254677 -11.50538      12.05062 
1 1 1 -16 4  35 o 64.15497 3.901877 204.7080       24.38662 213.0351       33.59281 195.4303       35.45855 65.01172 5.325597 62.04075 5.910316 2.970966       7.955741 
1 1 1 -16 4  36 o 42.70691 5.504262 93.05666       22.47481 88.29491       30.58266 98.64787       33.13944 40.73104 7.956324 43.02517 8.167591 -2.294125      11.40231 
1 1 1 -16 4  37 o 32.74505 7.036119 56.83555       21.87974 67.45514       29.92725 44.64165       32.06890 35.21273 8.727207 29.21082 9.651645 6.001909       13.01224 
1 1 1 -16 4  38 o 28.12753 8.506906 42.34179       25.40891 43.96194       30.10552 38.33000       47.37365 28.79776 9.341947 29.54687 11.46156 -0.7491074     14.78646 
1 1 1 -16 4  39 o 17.99005 7.445314 6.469991       21.39094 13.61309       29.67714 -1.253992      30.86024 21.79380 8.866158 19.58805 8.544681 2.205757       12.31342 
1 1 1 -16 4  40 o 49.46653 5.144977 124.9351       24.54803 113.4676       34.15067 137.1949       35.31069 45.87932 7.888940 50.85379 7.303007 -4.974476      10.75032 
1 1 1 -16 4  41 o 77.86803 4.352918 305.5854       33.04561 327.0000       53.06348 292.0187       42.23536 78.84615 6.946532 75.29609 5.774635 3.550064       9.033312 
1 1 1 -16 4  42 o 79.96072 3.902987 321.2200       30.45553 306.4313       42.42155 336.9497       43.75042 77.00311 5.667951 80.84038 5.562929 -3.837273      7.941779 
1 1 1 -16 4  43 o 14.73428 6.766448 -12.46201      22.25889 6.467000       31.46529 -31.42362      31.49238 20.50051 8.783534 15.79334 7.503669 4.707170       11.55229 
1 1 1 -16 4  44 o 20.61444 8.061033 17.35615       23.58288 -22.70213      33.79407 55.38140       32.92535 17.29367 8.077415 30.71699 9.750725 -13.42332      12.66180 
1 1 1 -16 4  45 o 19.39203 7.905484 12.03633       23.65304 10.45031       34.06051 13.51360       32.87203 21.54671 9.182616 21.78851 9.139585 -0.2418003     12.95579 
1 1 1 -16 4  46 o 43.97890 7.206460 106.2687       29.94870 172.2000       57.05042 81.18826       35.18689 52.28943 11.46326 36.77254 9.654611 15.51688       14.98726 
1 1 1 -16 4  47 o 86.16344 3.913063 375.7643       32.91631 385.1697       46.84855 366.5943       46.25843 85.76497 5.611407 83.59014 5.687536 2.174828       7.989740 
1 1 1 -16 4  48 o 40.82205 7.311771 92.97132       28.14319 93.41242       36.80133 92.35000       43.67704 39.18548 9.657695 37.75496 11.09016 1.430519       14.70587 
1 1 1 -16 4  49 o 27.89992 8.798443 46.27695       26.84770 29.92563       35.49136 68.15000       41.04885 24.59440 9.803588 32.37375 10.92427 -7.779350      14.67822 
1 1 1 -16 4  50 o 20.66637 8.057973 19.56177       23.50955 54.78134       36.10637 -6.359105      30.97538 29.50942 10.23746 17.96005 8.145136 11.54937       13.08239 
1 1 1 -16 4  51 o 32.18384 7.847827 60.53889       24.49661 58.59951       36.39690 62.14490       33.12120 30.29238 10.28624 31.39334 9.753893 -1.100960      14.17552 
1 1 1 -16 4  52 o 31.14299 10.38356 63.21159       37.09608 53.81000       52.16527 72.83000       52.76339 29.17840 11.79693 32.12334 12.18768 -2.944937      16.96193 
1 1 1 -16 4  53 o 51.40868 5.287262 140.1382       26.22674 143.4342       38.72425 137.3453       35.64698 49.43801 8.295894 48.91082 7.700092 0.5271912      11.31871 
1 1 1 -16 4  54 o 13.30993 6.453862 -35.16002      26.14814 -82.51000      47.09406 -14.05719      31.43957 16.00282 7.935384 17.04531 7.903494 -1.042494      11.19980 
1 1 1 -16 4  55 o 38.22666 7.134437 83.35358       25.71354 70.89796       36.99094 94.99971       35.76873 32.64643 10.33179 38.79091 9.497788 -6.144482      14.03402 
1 1 1 -16 4  56 o 25.68414 8.509286 39.77083       24.92188 49.00443       36.77165 31.92600       33.89372 27.69438 10.24232 24.21951 9.604336 3.474874       14.04096 
1 1 1 -16 4  57 f 17.20712 7.560626 2.640859       24.55194 -16.33680      35.94184 19.24372       33.61790 17.71039 8.290946 21.77096 9.193706 -4.060570      12.37998 
1 1 1 -16 4  58 o 32.69764 9.211928 69.79343       30.73624 63.58128       37.22574 83.10000       54.48230 30.12086 10.39765 32.02386 12.32644 -1.903009      16.12613 
1 1 1 -16 5  1  o 150.5661 3.423637 1110.777       50.45698 1088.919       71.40025 1132.583       71.31371 148.9077 4.905344 151.8776 4.803077 -2.969864      6.865271 
1 1 1 -16 5  2  o 211.9016 5.033187 2203.021       104.3959 2616.000       203.0529 2054.635       121.7145 230.1075 9.032683 204.4342 6.089295 25.67331       10.89353 
1 1 1 -16 5  3  o 93.51327 4.091735 429.4997       37.36237 0.000000       0.000000 429.4997       37.36237 ?        ?        93.51327 4.091735 ?              ?        
1 1 1 -16 5  4  o 93.07469 2.961779 424.7715       26.94866 418.0940       38.65288 431.0874       37.59161 92.24344 4.292722 93.68415 4.109381 -1.440712      5.942598 
1 1 1 -16 5  5  o 142.1380 3.945930 991.0790       54.84604 1154.000       106.3970 932.1201       64.00528 153.0024 7.123915 137.7682 4.753480 15.23421       8.564213 
1 1 1 -16 5  6  o 140.3344 3.370975 964.9628       46.30478 944.2523       65.58846 985.5429       65.38172 138.6507 4.840228 141.6655 4.721644 -3.014801      6.761785 
1 1 1 -16 5  7  o 199.2663 4.175354 1946.888       81.43919 1933.156       115.1094 1960.650       115.2355 198.2888 5.937393 199.7006 5.901705 -1.411804      8.371545 
1 1 1 -16 5  8  o 71.11240 3.116283 248.2305       21.63877 225.5275       29.92980 273.0936       31.32130 67.65565 4.545918 74.50020 4.313574 -6.844543      6.266761 
1 1 1 -16 5  9  o 134.4545 3.314763 885.8514       43.62486 879.4946       61.90633 892.1221       61.48555 133.8027 4.734226 134.7679 4.668060 -0.9652557     6.648585 
1 1 1 -16 5  10 o 133.0118 3.322355 866.9774       43.25560 859.2597       61.44641 874.5590       60.90254 132.2458 4.754618 133.4285 4.670365 -1.182648      6.664735 
1 1 1 -16 5  11 o 305.1692 5.937466 4576.845       177.3569 4578.079       250.9790 4575.615       250.6623 304.4549 8.429979 304.3756 8.421523 0.7925415E-01  11.91581 
1 1 1 -16 5  12 o 227.5605 5.362555 2543.318       119.4469 2475.285       143.9072 2694.000       214.1690 224.2054 6.564444 233.1722 9.402976 -8.966782      11.46769 
1 1 1 -16 5  13 o 38.69713 5.224376 74.85963       19.28375 67.25698       21.93789 100.7000       40.44472 36.45380 6.380482 44.26731 9.610273 -7.813515      11.53551 
1 1 1 -16 5  14 o 94.54024 3.660101 438.8463       33.80607 434.1309       40.48918 449.7000       61.42765 93.96100 4.414700 95.35952 6.622167 -1.398521      7.958811 
1 1 1 -16 5  15 o 126.2788 3.330404 782.1422       41.12959 747.6999       56.94483 819.7060       59.46931 123.3270 4.726007 129.1388 4.712583 -5.811760      6.674098 
1 1 1 -16 5  16 o 80.15294 3.294630 315.4273       25.79322 294.5034       34.81591 340.8827       38.40133 77.32093 4.621262 83.19435 4.735254 -5.873421      6.616547 
1 1 1 -16 5  17 o 151.9433 3.633246 1132.047       54.03593 1054.635       74.09082 1220.014       78.97999 146.4227 5.177665 157.5055 5.129735 -11.08278      7.288511 
1 1 1 -16 5  18 o 146.5789 4.881725 1056.479       69.94305 1108.000       99.42341 1006.000       98.41316 149.7887 6.798876 142.6602 7.069671 7.128479       9.808413 
1 1 1 -16 5  19 o 145.3919 5.126343 1040.219       72.84070 0.000000       0.000000 1040.219       72.84070 ?        ?        145.3919 5.126343 ?              ?        
1 1 1 -16 5  20 o 91.38026 3.287869 409.9650       29.36059 395.0366       39.56611 428.2594       43.80026 89.57118 4.527511 93.23514 4.815763 -3.663956      6.609836 
1 1 1 -16 5  21 o 72.91585 3.495124 261.3766       24.87278 270.6072       33.71118 250.3479       36.84868 74.06707 4.673720 71.14235 5.330361 2.924721       7.089175 
1 1 1 -16 5  22 f 171.1848 4.516916 1441.001       75.61948 1268.000       126.6845 1536.761       94.25256 159.7157 8.130196 176.5948 5.459226 -16.87912      9.793019 
1 1 1 -16 5  23 o 33.33691 7.421470 57.16447       23.59430 31.78000       49.50164 64.62666       26.83914 30.44423 11.74134 35.41549 7.938993 -4.971251      14.17345 
1 1 1 -16 5  24 o 187.9648 4.778297 1739.646       87.84229 1530.000       145.1502 1860.801       110.3426 175.1164 8.493399 194.1247 5.813607 -19.00827      10.29251 
1 1 1 -16 5  25 o 164.3428 4.372500 1329.503       70.27499 1254.000       120.2719 1368.642       86.59492 158.6169 7.770205 166.5167 5.319685 -7.899872      9.416747 
1 1 1 -16 5  26 o 152.9868 3.586520 1149.950       53.70732 1104.749       74.14547 1199.845       77.90086 149.5753 5.071623 155.8760 5.112636 -6.300613      7.201417 
1 1 1 -16 5  27 o 124.2727 3.286432 759.1484       39.94158 706.1194       54.58633 820.2598       58.59871 119.5817 4.672502 128.9030 4.651914 -9.321243      6.593374 
1 1 1 -16 5  28 o 122.6373 3.779043 740.8953       45.30979 700.8159       54.49984 830.6000       81.53462 119.0616 4.685609 129.0606 6.474878 -9.998940      7.992433 
1 1 1 -16 5  29 o 44.93675 4.800048 100.9463       20.78659 76.96487       24.77297 158.0000       38.21048 38.72685 6.782219 55.75535 7.167052 -17.02850      9.867377 
1 1 1 -16 5  30 o 80.67159 3.737339 321.4308       29.43116 286.7051       35.53384 397.3000       52.52300 75.94927 4.804452 89.08028 6.059755 -13.13101      7.733265 
1 1 1 -16 5  31 o 92.59512 3.724663 423.5724       33.68947 449.9000       54.07270 406.8684       43.07072 94.79369 5.856228 90.44389 4.883265 4.349800       7.625070 
1 1 1 -16 5  32 o 66.38996 6.250751 222.8834       40.14208 206.9000       58.08154 237.5000       55.54250 62.51361 9.814981 67.62817 8.583675 -5.114563      13.03892 
1 1 1 -16 5  33 o 62.36678 3.753533 192.9691       22.80789 219.8205       31.76735 164.4024       32.76630 66.26620 4.932980 56.94515 5.966974 9.321045       7.742033 
1 1 1 -16 5  34 o 81.56448 3.466300 329.2192       27.61100 344.2096       39.17610 314.4235       38.92085 82.97445 4.844667 79.21987 5.045506 3.754578       6.994851 
1 1 1 -16 5  35 o 45.05840 4.875072 102.4693       21.15919 128.4202       29.58957 75.31255       30.26923 50.08349 6.165843 37.43694 8.460134 12.64655       10.46859 
1 1 1 -16 5  36 o 29.49343 7.150206 46.23710       20.42526 52.57752       27.58701 38.54436       30.38690 31.20917 8.703893 27.60388 9.398318 3.605293       12.80961 
1 1 1 -16 5  37 o 19.68419 7.912078 11.13005       23.31595 -6.923288      27.03839 63.49000       46.04702 17.60366 7.824784 34.21260 11.57019 -16.60894      13.96770 
1 1 1 -16 5  38 o 33.05346 6.769883 57.85607       21.16558 40.93903       29.58686 75.58775       30.29086 27.96755 9.271749 37.24962 8.496447 -9.282070      12.57597 
1 1 1 -16 5  39 o 53.81137 4.657059 146.2067       24.28847 142.6782       34.40840 149.7109       34.29008 52.22305 6.899914 53.61766 6.677965 -1.394611      9.602293 
1 1 1 -16 5  40 o 33.57621 7.700407 61.42796       24.76763 80.31000       37.68924 47.07567       32.85894 37.45144 10.06604 29.41511 9.771631 8.036325       14.02890 
1 1 1 -16 5  41 o 22.28881 8.057884 23.78126       22.56508 2.660659       31.35752 46.46421       32.49664 20.07461 8.686070 29.03798 9.719273 -8.963371      13.03503 
1 1 1 -16 5  42 f 13.87089 6.479431 -17.57096      21.75520 -22.73978      30.78380 -12.41375      30.74923 16.47876 7.700881 17.66787 8.052670 -1.189116      11.14222 
1 1 1 -16 5  43 o 27.89229 8.093089 43.63347       23.38575 18.48464       33.15051 68.54679       32.99492 22.88482 9.347792 34.21183 9.510517 -11.32701      13.33533 
1 1 1 -16 5  44 o 34.61249 7.454428 66.55054       24.50834 79.40787       35.48238 54.81975       33.89231 36.52774 9.744332 30.54217 9.912408 5.985571       13.89992 
1 1 1 -16 5  45 o 59.56428 4.803912 182.3248       27.77092 138.4135       39.53953 225.0762       39.01377 49.45635 8.472384 65.23769 6.183419 -15.78134      10.48885 
1 1 1 -16 5  46 o 35.71941 7.443405 71.32022       25.17914 96.81121       36.17621 47.36838       35.06705 40.45398 9.326844 28.57041 10.07636 11.88357       13.73037 
1 1 1 -16 5  47 o 28.90270 9.098282 49.27605       28.72097 84.74000       54.66756 35.75537       33.75480 35.32557 12.56934 25.84964 9.761574 9.475925       15.91466 
1 1 1 -16 5  48 o 23.99584 8.895017 30.36244       27.76261 6.531000       53.29462 39.23796       32.52410 24.18088 10.85001 26.38755 9.654019 -2.206663      14.52318 
1 1 1 -16 5  49 o 19.50735 7.895131 14.30315       23.39231 21.46941       35.06465 8.556118       31.40114 23.01325 9.529068 20.23651 8.723819 2.776743       12.91929 
1 1 1 -16 5  50 o 40.32281 7.367656 92.24927       28.00824 106.4518       37.36726 74.04000       42.31111 41.66349 9.388501 33.24104 11.08958 8.422447       14.53006 
1 1 1 -16 5  51 o 52.59011 8.324497 161.0219       41.42669 179.5000       58.87330 142.9000       58.30323 51.37530 11.93578 44.41179 12.74610 6.963512       17.46212 
1 1 1 -16 5  52 o 14.32708 6.680443 -14.96845      22.95739 -61.32016      34.39415 22.27614       30.83069 13.99442 6.910754 22.30470 9.050542 -8.310276      11.38731 
1 1 1 -16 5  53 o 55.73884 5.695788 166.5315       30.63910 230.8000       56.84786 140.2191       36.37435 60.94115 9.867187 49.33720 7.790327 11.60394       12.57182 
1 1 1 -16 5  54 o 45.99356 5.827514 114.3222       25.64729 116.2076       37.52426 112.6693       35.13501 43.63118 9.082119 43.42401 8.570573 0.2071648      12.48758 
1 1 1 -16 5  55 o 20.86226 8.152181 20.91201       24.10522 19.30308       35.70182 22.25997       32.67833 22.34423 9.456944 22.39663 9.229130 -0.5239677E-01 13.21403 
1 1 1 -16 5  56 o 15.87325 7.183766 -5.232378      23.94435 -29.36320      35.94076 14.02549       32.10740 16.60294 7.924114 20.82083 8.895572 -4.217884      11.91313 
1 1 1 -16 5  57 o 39.91867 7.026128 91.48551       26.45138 107.3654       39.72057 78.83157       35.45721 40.18794 10.10837 34.31826 9.967566 5.869682       14.19618 
1 1 1 -16 5  58 o 45.14158 7.178521 118.1955       30.65798 100.8000       56.35539 125.5077       36.53771 34.68202 12.70478 45.08049 8.593914 -10.39847      15.33841 
1 1 1 -16 6  1  o 194.3412 5.744590 1856.195       109.1574 0.000000       0.000000 1856.195       109.1574 ?        ?        194.3412 5.744590 ?              ?        
1 1 1 -16 6  2  o 340.3315 6.530156 5693.123       217.5364 5840.311       313.4637 5556.381       302.1349 343.8141 9.323057 335.3839 9.212214 8.430145       13.10665 
1 1 1 -16 6  3  o 82.57142 4.097905 335.0740       33.01709 0.000000       0.000000 335.0740       33.01709 ?        ?        82.57142 4.097905 ?              ?        
1 1 1 -16 6  4  o 201.2027 4.852589 1986.090       95.56821 2270.000       182.1841 1878.306       112.2526 214.3559 8.701066 195.4695 5.873595 18.88638       10.49798 
1 1 1 -16 6  5  o 71.93266 3.704698 254.2722       25.99678 298.5000       54.96272 241.5261       29.50598 77.53896 7.328683 70.04826 4.324432 7.490700       8.509425 
1 1 1 -16 6  6  o 26.11210 5.907067 34.82537       14.74369 17.85431       19.97261 55.14785       21.85589 20.94671 7.579763 32.86338 7.008409 -11.91668      10.32330 
1 1 1 -16 6  7  o 111.5399 3.131667 610.0241       34.15718 598.0872       48.69938 621.5825       47.92111 110.3303 4.519004 112.4950 4.360243 -2.164688      6.279580 
1 1 1 -16 6  8  o 246.3629 4.933973 2978.641       118.9812 2908.732       166.6118 3051.396       169.9680 243.0162 7.011622 248.9156 6.982940 -5.899414      9.895671 
1 1 1 -16 6  9  o 148.0430 3.480345 1074.136       50.43319 1009.946       69.89171 1143.869       72.84663 143.3598 4.988319 152.5923 4.883490 -9.232422      6.980816 
1 1 1 -16 6  10 o 100.6021 3.559651 496.6866       34.99740 504.3389       43.11238 481.9000       59.92961 101.3064 4.357886 98.80927 6.228057 2.497124       7.601306 
1 1 1 -16 6  11 o 95.51041 3.599953 447.7962       33.59508 455.9339       41.09483 431.4000       58.33222 96.30784 4.370718 93.43391 6.417163 2.873924       7.764223 
1 1 1 -16 6  12 o 135.1378 3.906573 896.2366       51.62058 870.3126       62.37220 952.6000       91.96835 133.0740 4.796257 138.9500 6.782466 -5.875961      8.306980 
1 1 1 -16 6  13 o 231.2444 5.439364 2627.117       123.1191 2528.209       147.2421 2857.000       224.4762 226.5407 6.647363 240.0067 9.574432 -13.46605      11.65578 
1 1 1 -16 6  14 o 168.0205 3.759270 1384.268       61.82613 1362.846       86.48802 1406.655       88.41449 166.4750 5.314439 169.1272 5.347488 -2.652191      7.539157 
1 1 1 -16 6  15 o 156.1889 3.623196 1196.084       55.39217 1129.165       75.91048 1272.297       81.01075 151.5343 5.125189 160.8584 5.151730 -9.324051      7.266903 
1 1 1 -16 6  16 o 136.1855 3.472333 909.8318       46.24919 877.7021       64.74683 943.3045       66.08619 133.5928 4.960027 138.5122 4.881980 -4.919418      6.959569 
1 1 1 -16 6  17 o 232.4005 6.665167 2662.958       151.4626 2800.000       219.7801 2539.000       209.0254 237.4244 9.476109 226.0737 9.466839 11.35068       13.39469 
1 1 1 -16 6  18 o 73.66026 5.199736 267.9839       37.24954 0.000000       0.000000 267.9839       37.24954 ?        ?        73.66026 5.199736 ?              ?        
1 1 1 -16 6  19 f 80.49831 3.313953 318.2577       26.05611 302.2454       35.32765 337.3593       38.58529 78.30964 4.629515 82.72961 4.785331 -4.419975      6.658213 
1 1 1 -16 6  20 o 133.0434 3.877900 869.3132       50.44665 923.4000       84.39314 839.2426       62.92642 136.7356 6.322611 130.5788 4.932140 6.156799       8.018817 
1 1 1 -16 6  21 f 147.3701 3.543425 1065.425       51.11388 1016.550       70.94714 1118.172       73.70353 143.6875 5.052266 150.7154 5.002957 -7.027939      7.110202 
1 1 1 -16 6  22 o 79.09113 4.106490 308.0337       31.68217 214.6000       60.37012 343.5477       37.21944 64.89268 9.810218 83.47918 4.572429 -18.58650      10.82347 
1 1 1 -16 6  23 o 141.8563 5.162260 992.0558       71.55994 896.8000       99.76511 1093.000       102.7008 134.2826 7.621483 148.4404 7.088793 -14.15779      10.40855 
1 1 1 -16 6  24 o 118.0117 3.853474 684.8412       44.45298 688.9000       80.19287 683.0408       53.40982 117.7267 6.990598 117.7302 4.643866 -0.3509521E-02 8.392494 
1 1 1 -16 6  25 o 98.35822 3.771494 476.0598       36.24306 503.7000       67.15088 464.6984       43.05215 100.5603 6.863254 97.05624 4.544360 3.504028       8.231371 
1 1 1 -16 6  26 o 135.6350 4.013860 905.7603       53.23071 791.3000       90.00798 967.3261       66.01207 125.8791 7.336819 139.9895 4.824712 -14.11041      8.781045 
1 1 1 -16 6  27 o 118.3019 3.708030 689.0075       42.88491 653.1993       51.52907 769.7000       77.35304 115.0031 4.586787 124.3438 6.376757 -9.340736      7.855039 
1 1 1 -16 6  28 o 96.18020 3.164953 455.0848       29.75550 415.3825       40.24405 502.9632       44.19404 91.63912 4.500336 100.8616 4.487667 -9.222458      6.355484 
1 1 1 -16 6  29 o 72.74001 3.770166 261.3605       26.75195 278.2011       32.70345 227.3000       46.50930 74.91371 4.480381 66.98321 7.206866 7.930504       8.486032 
1 1 1 -16 6  30 f 93.76473 4.570779 436.0310       41.82399 436.0310       41.82399 0.000000       0.000000 93.76473 4.570779 ?        ?        ?              ?        
1 1 1 -16 6  31 o 24.70436 7.437670 31.20747       19.45470 26.11123       23.04198 43.86000       36.30644 23.63531 8.179358 29.95269 10.27117 -6.317381      13.13007 
1 1 1 -16 6  32 o 18.22219 7.200222 9.944867       18.98603 20.82000       25.94526 -2.592109      27.85718 22.80645 8.569929 18.73683 8.146555 4.069622       11.82413 
1 1 1 -16 6  33 o 29.18241 7.570362 45.02805       21.80650 40.41761       25.13493 59.06000       43.84957 27.84228 8.469324 33.65982 11.29041 -5.817543      14.11392 
1 1 1 -16 6  34 o 10.53003 5.148133 -32.66823      17.61280 -42.20917      23.56056 -20.58238      26.51727 12.25656 5.984036 15.64557 7.255853 -3.389013      9.405110 
1 1 1 -16 6  35 o 86.59148 3.515306 371.4969       29.73314 363.9796       41.50710 379.4200       42.61271 85.18063 5.000225 86.96273 5.027536 -1.782104      7.090724 
1 1 1 -16 6  36 o 68.30183 4.554176 233.7083       30.27333 265.2385       36.45868 163.7000       54.32655 72.54763 5.168026 54.35804 10.59124 18.18959       11.78486 
1 1 1 -16 6  37 o 13.22421 6.142495 -15.47868      19.11749 -8.981676      26.11300 -22.98321      28.06480 16.96105 7.603854 15.84493 7.387549 1.116120       10.60163 
1 1 1 -16 6  38 o 51.71401 4.691971 134.9966       23.49210 179.8015       34.42110 95.92937       32.14162 59.19852 6.024121 42.23822 8.068320 16.96031       10.06915 
1 1 1 -16 6  39 o 48.86895 5.402803 122.1983       25.41288 130.0000       40.09611 116.9603       32.85450 48.84933 8.704896 46.93853 7.395348 1.910801       11.42219 
1 1 1 -16 6  40 o 29.37575 7.742537 47.20980       22.57301 57.02357       31.56906 36.94317       32.28923 31.85100 9.447493 26.94040 9.651697 4.910597       13.50594 
1 1 1 -16 6  41 o 26.69370 7.966127 39.03366       22.39137 80.02303       31.59851 -2.308745      31.73429 37.72060 8.730973 19.41077 8.559732 18.30983       12.22697 
1 1 1 -16 6  42 o 56.98367 4.682366 165.6701       25.88673 166.4600       36.42774 164.8643       36.79374 55.90466 6.796462 55.55603 6.915351 0.3486252      9.696080 
1 1 1 -16 6  43 o 22.59900 8.186031 25.33860       23.30309 -7.739625      33.37791 56.79393       32.54882 18.94114 8.535274 31.18783 9.665841 -12.24670      12.89494 
1 1 1 -16 6  44 o 37.75182 7.038062 77.96807       25.05088 105.8980       36.09823 52.02219       34.79243 42.92500 8.884471 29.84957 10.05735 13.07543       13.41954 
1 1 1 -16 6  45 o 24.29668 8.309522 31.95974       23.75890 80.22664       34.29245 -12.59717      32.94817 36.73987 9.474430 18.09623 8.281226 18.64364       12.58346 
1 1 1 -16 6  46 o 56.34887 4.930436 164.2157       26.92055 162.1764       37.95166 166.2809       38.19229 54.31821 7.324534 55.05661 7.264010 -0.7384071     10.31575 
1 1 1 -16 6  47 o 20.24735 8.021231 16.71233       23.61914 -1.287164      33.46733 34.57304       33.33806 19.49027 8.681845 25.51997 9.686524 -6.029703      13.00781 
1 1 1 -16 6  48 o 30.38148 9.039328 55.39980       28.86491 90.33000       54.49429 41.77751       34.03105 35.93487 12.57000 26.95744 9.873111 8.977430       15.98384 
1 1 1 -16 6  49 o 37.46831 8.064151 81.76274       28.69852 128.8000       56.67351 65.54182       33.28103 42.29117 12.68590 32.34050 9.726051 9.950668       15.98525 
1 1 1 -16 6  50 o 52.83791 6.541915 153.0882       33.11219 194.6994       40.56978 70.06000       57.30739 59.04635 7.165958 31.76550 12.52247 27.28085       14.42786 
1 1 1 -16 6  51 o 23.71770 8.788853 30.69647       27.09958 21.80021       36.69456 41.37000       40.19312 23.16857 9.683105 26.83003 10.51423 -3.661465      14.29376 
1 1 1 -16 6  52 o 40.77273 8.589803 99.34188       33.19759 134.6000       52.57314 75.96000       42.81283 43.87152 11.93034 33.38608 11.15549 10.48544       16.33334 
1 1 1 -16 6  53 f 47.20572 5.686590 119.7639       25.74697 178.5527       38.88789 73.88055       34.35535 56.31188 7.221168 33.96563 9.795506 22.34625       12.16952 
1 1 1 -16 6  54 o 18.90635 7.790916 12.45538       23.28730 -1.020630      34.41256 23.83989       31.62959 19.31786 8.689103 22.62331 9.171725 -3.305454      12.63412 
1 1 1 -16 6  55 o 23.87318 8.358018 32.97214       24.09598 21.48721       35.65517 42.62694       32.69115 22.67003 9.514590 26.41290 9.676288 -3.742867      13.57048 
1 1 1 -16 6  56 o 54.49644 5.183699 158.0182       27.31861 146.8239       40.07308 167.7376       37.34022 49.29101 8.619438 54.24049 7.211634 -4.949478      11.23843 
1 1 1 -16 6  57 o 28.19583 8.397548 49.40592       24.90175 6.151242       36.72618 86.21331       33.87870 20.33120 9.073069 36.47647 9.422534 -16.14527      13.08070 
1 1 1 -16 6  58 f 16.23429 7.298167 -2.261209      24.24004 9.234647       35.81040 -11.98297      32.93146 20.44149 9.049914 17.29528 8.043118 3.146214       12.10755 
1 1 1 -16 7  1  o 109.6944 3.009013 589.9135       32.27784 586.1701       46.81084 593.3067       44.56727 109.2403 4.386736 109.9252 4.149471 -0.6849518     6.038341 
1 1 1 -16 7  2  o 222.0391 5.229589 2419.913       113.6589 2929.000       224.5514 2244.562       131.7876 243.3037 9.446844 213.6098 6.309913 29.69391       11.36036 
1 1 1 -16 7  3  o 129.5344 4.473901 823.9370       56.64029 0.000000       0.000000 823.9370       56.64029 ?        ?        129.5344 4.473901 ?              ?        
1 1 1 -16 7  4  o 240.7351 4.829724 2843.525       113.8067 2744.073       158.4260 2949.570       163.5924 236.0851 6.862982 244.7785 6.834537 -8.693375      9.685630 
1 1 1 -16 7  5  o 33.64180 4.685828 56.58756       15.01203 40.83757       20.56651 74.54844       21.96262 28.28152 7.359651 38.49561 6.026167 -10.21409      9.512053 
1 1 1 -16 7  6  o 160.9902 3.616439 1270.324       56.98846 1261.788       81.12540 1278.639       80.07262 160.2419 5.178995 161.3221 5.077210 -1.080200      7.252589 
1 1 1 -16 7  7  o 149.2498 3.487294 1091.715       50.94583 1065.282       72.15536 1117.992       71.94170 147.2379 5.013913 150.8566 4.878447 -3.618698      6.995610 
1 1 1 -16 7  8  o 145.7883 3.446704 1041.654       49.18501 1036.599       70.23486 1046.519       68.90055 145.2439 4.947468 145.9518 4.829539 -0.7078400     6.913891 
1 1 1 -16 7  9  o 204.7992 4.933422 2058.723       98.89692 2054.521       121.4286 2067.000       170.4412 204.3473 6.077551 204.4454 8.535866 -0.9805298E-01 10.47844 
1 1 1 -16 7  10 o 222.4314 5.257303 2429.664       114.4630 2378.564       138.6546 2539.000       202.8180 219.7980 6.451705 226.4171 9.170445 -6.619171      11.21256 
1 1 1 -16 7  11 o 201.4953 4.894712 1993.044       96.53797 1925.005       116.2762 2144.000       173.1948 197.7843 6.013086 208.1823 8.517320 -10.39796      10.42602 
1 1 1 -16 7  12 o 196.3268 4.806160 1892.055       92.36001 1831.977       111.1598 2026.000       165.9786 192.9512 5.892550 202.3689 8.397433 -9.417770      10.25861 
1 1 1 -16 7  13 o 46.86139 4.110125 108.5387       18.66213 133.8313       24.65389 74.59869       28.55913 51.98098 4.903394 38.19158 7.900425 13.78939       9.298387 
1 1 1 -16 7  14 o 206.3758 4.950472 2091.469       100.0027 2109.000       171.4763 2082.434       123.1047 206.3952 8.506090 205.6577 6.122197 0.7375641      10.48021 
1 1 1 -16 7  15 o 92.33498 3.624414 418.6768       32.69384 433.7000       50.09084 407.5268       43.15311 93.77931 5.480776 90.97088 4.863906 2.808434       7.327789 
1 1 1 -16 7  16 o 36.64149 10.26688 68.61000       38.28847 0.000000       0.000000 68.61000       38.28847 ?        ?        36.64149 10.26688 ?              ?        
1 1 1 -16 7  17 o 80.90915 3.683312 321.7155       29.09389 303.4000       43.44325 336.6102       39.17668 78.33464 5.704919 82.64046 4.864676 -4.305817      7.497411 
1 1 1 -16 7  18 o 82.43565 3.265152 333.6867       26.29449 319.1419       35.77808 350.7698       38.77445 80.48773 4.559963 84.37582 4.713584 -3.888084      6.558288 
1 1 1 -16 7  19 o 122.0823 3.325144 731.3657       39.69763 663.6000       53.92199 811.5592       58.65847 116.1196 4.754156 128.4447 4.673398 -12.32512      6.666532 
1 1 1 -16 7  20 o 53.52681 3.822913 141.3064       19.89773 119.8032       25.71500 173.3916       31.41138 49.04740 5.448103 59.10949 5.491863 -10.06209      7.735786 
1 1 1 -16 7  21 o 191.8592 4.119966 1807.637       77.37174 1682.886       105.1946 1954.660       114.1996 184.7191 5.825305 199.0792 5.866873 -14.36014      8.267671 
1 1 1 -16 7  22 o 90.83862 3.189451 405.2303       28.31511 351.5123       38.31297 469.8839       42.03219 84.42475 4.654290 97.68150 4.407412 -13.25675      6.409968 
1 1 1 -16 7  23 o 75.24387 3.214966 278.2698       23.62390 277.2403       32.19715 279.4704       34.76941 74.96453 4.407331 75.21889 4.746620 -0.2543640     6.477265 
1 1 1 -16 7  24 o 109.3391 3.802283 588.0260       40.63167 648.1000       75.62557 563.6477       48.17561 114.1879 6.796917 106.9190 4.614128 7.268913       8.215124 
1 1 1 -16 7  25 o 94.17161 3.785806 436.5802       34.82559 505.7000       66.88378 410.8703       40.79147 100.7304 6.823783 91.22623 4.582860 9.504150       8.219892 
1 1 1 -16 7  26 o 150.0359 4.185551 1108.998       61.40863 1013.000       104.9718 1158.945       75.71664 142.3269 7.562070 153.1497 5.057838 -10.82280      9.097617 
1 1 1 -16 7  27 o 81.75272 3.883666 329.7156       30.98895 331.8000       56.93200 328.8381       36.94082 81.22626 7.236357 81.50393 4.649727 -0.2776718     8.601443 
1 1 1 -16 7  28 o 164.3585 4.418115 1334.289       71.01357 1125.000       115.5413 1461.343       90.02435 149.3839 7.930234 171.6421 5.364924 -22.25821      9.574498 
1 1 1 -16 7  29 o 76.63361 3.295514 289.4760       24.66223 266.3614       33.26093 317.7032       36.75566 73.23929 4.663868 80.00011 4.714734 -6.760826      6.631771 
1 1 1 -16 7  30 o 103.5778 3.682714 529.6461       37.27771 496.9342       44.57063 605.8000       68.00522 100.0915 4.561296 109.8685 6.350642 -9.776962      7.818955 
1 1 1 -16 7  31 o 63.66912 4.099545 201.2535       25.41303 182.3918       30.26944 246.3000       46.77824 60.34056 5.174862 69.59349 6.960319 -9.252934      8.673248 
1 1 1 -16 7  32 o 71.58347 3.992805 254.3430       27.86588 226.0972       33.13363 322.6000       51.50693 67.18443 5.075968 79.70734 6.662677 -12.52291      8.375960 
1 1 1 -16 7  33 o 48.75386 4.764176 119.3895       22.44562 125.3000       32.08238 113.7227       31.41396 49.32000 6.828640 46.86467 7.067693 2.455326       9.827645 
1 1 1 -16 7  34 f 59.33388 5.219371 177.4099       30.00425 189.0000       37.10095 155.5000       51.01071 60.85877 6.320020 53.47252 10.11639 7.386250       11.92829 
1 1 1 -16 7  35 o 44.95813 5.678797 103.2117       24.43376 112.6849       28.48340 76.82000       47.54181 46.75917 6.390297 37.16133 11.70675 9.597836       13.33731 
1 1 1 -16 7  36 o 20.05717 7.387556 17.15534       19.09655 13.96288       25.29428 21.38701       29.12155 20.86750 8.289907 23.38800 9.009420 -2.520496      12.24305 
1 1 1 -16 7  37 o 49.31575 4.802439 122.8949       22.88885 136.9330       32.31484 108.7610       32.42488 51.41253 6.571380 45.32374 7.576007 6.088791       10.02890 
1 1 1 -16 7  38 o 22.01301 7.941343 22.32040       21.90275 9.152000       32.84709 32.86325       29.39066 21.80662 9.140922 25.89812 9.216070 -4.091499      12.98046 
1 1 1 -16 7  39 o 15.21565 6.785759 -6.022748      20.50804 -4.600789      28.68436 -7.509641      29.33198 18.33858 8.110174 18.12328 8.096675 0.2153034      11.45998 
1 1 1 -16 7  40 o 67.54235 4.167818 229.4026       27.42020 221.5243       38.68941 237.3535       38.86723 65.37568 6.117052 67.80753 5.915129 -2.431847      8.509234 
1 1 1 -16 7  41 o 29.02552 7.796298 46.66933       22.61770 24.97614       31.08483 71.07493       32.97095 23.93806 9.284731 35.13555 9.402246 -11.19749      13.21395 
1 1 1 -16 7  42 o 43.91636 5.864384 101.2822       24.57944 111.3692       34.84863 91.29646       34.67318 44.69171 8.270768 39.86997 9.087531 4.821739       12.28775 
1 1 1 -16 7  43 o 21.62451 8.184854 21.33012       23.76274 21.99021       33.57967 20.66798       33.63158 23.52969 9.482056 23.29879 9.453156 0.2309017      13.38923 
1 1 1 -16 7  44 o 54.99764 5.044504 156.2308       26.85399 155.8479       37.94131 156.6152       38.01335 53.34179 7.471324 53.47925 7.464932 -0.1374664     10.56153 
1 1 1 -16 7  45 o 23.89437 8.283418 30.59795       23.63647 33.06124       33.73285 28.22202       33.12935 25.50138 9.728411 24.45925 9.557266 1.042130       13.63757 
1 1 1 -16 7  46 o 37.38482 7.136604 77.50030       25.16287 59.15442       35.16324 96.75505       36.02372 31.15781 10.09533 40.33072 9.313331 -9.172909      13.73513 
1 1 1 -16 7  47 f 22.29575 8.243053 25.21027       23.81390 29.23092       34.09505 21.38053       33.27577 24.49640 9.658313 22.93204 9.366060 1.564365       13.45385 
1 1 1 -16 7  48 o 34.61036 7.501997 68.16557       24.68028 79.82697       35.66967 57.45528       34.18409 35.80920 9.863252 30.46516 9.959672 5.344046       14.01709 
1 1 1 -16 7  49 o 25.52712 11.21238 22.10000       53.95296 22.10000       53.95296 0.000000       0.000000 25.52712 11.21238 ?        ?        ?              ?        
1 1 1 -16 7  50 o 22.13587 8.616794 24.00210       26.84833 9.115000       53.77037 28.94635       30.98764 23.98882 10.81946 23.68923 9.247003 0.2995911      14.23263 
1 1 1 -16 7  51 o 67.66830 5.003860 239.6789       32.90888 224.9000       60.34745 245.9339       39.26017 59.15190 10.82144 67.61517 5.994047 -8.463276      12.37062 
1 1 1 -16 7  52 o 24.57046 8.810270 34.66840       26.91102 34.07978       35.73037 35.44000       40.90900 25.04820 9.883710 25.71254 10.42830 -0.6643353     14.36792 
1 1 1 -16 7  53 o 28.01628 8.910155 48.06321       27.48243 70.78608       36.64925 18.87000       41.54077 32.83421 10.26936 23.24957 10.02841 9.584635       14.35370 
1 1 1 -16 7  54 o 26.79627 8.344396 43.20204       24.22539 4.249014       35.82347 76.02606       32.88463 20.24989 9.003530 34.63888 9.442155 -14.38900      13.04676 
1 1 1 -16 7  55 o 39.67330 6.783647 88.56731       25.39723 126.1707       38.05459 58.36695       34.10357 45.57502 8.849607 29.96577 9.954988 15.60925       13.31981 
1 1 1 -16 7  56 o 30.75384 8.191802 57.61120       25.09993 79.59465       37.61126 39.95926       33.70282 34.26884 10.34684 25.66007 9.739450 8.608776       14.20965 
1 1 1 -16 7  57 o 38.43038 7.184573 85.83523       26.03262 118.7035       38.43201 57.96822       35.38751 43.06067 9.383873 29.20423 10.13484 13.85644       13.81203 
1 1 1 -16 7  58 o 17.07568 7.504840 3.467264       24.20548 14.48753       35.81115 -5.802696      32.84438 21.05232 9.193612 17.89294 8.217884 3.159374       12.33110 
1 1 1 -16 8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 8  2  o 140.9722 4.655180 976.0524       64.14759 0.000000       0.000000 976.0524       64.14759 ?        ?        140.9722 4.655180 ?              ?        
1 1 1 -16 8  3  o 76.06947 3.247441 284.0559       24.12445 225.1000       38.86365 321.0140       30.77052 67.42472 5.949664 80.82526 3.900908 -13.40054      7.114462 
1 1 1 -16 8  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 8  5  o 220.2011 4.498851 2378.655       96.96775 2408.773       138.8683 2349.997       135.4613 221.2313 6.419628 218.5284 6.339582 2.702942       9.022302 
1 1 1 -16 8  6  o 161.8904 3.651462 1284.686       57.86209 1218.113       80.75288 1354.931       82.95007 157.4227 5.247979 166.0556 5.109448 -8.632965      7.324462 
1 1 1 -16 8  7  o 240.1302 4.830055 2829.945       113.5285 2811.324       160.6550 2848.519       160.4525 238.9011 6.877365 240.4897 6.823119 -1.588562      9.687781 
1 1 1 -16 8  8  o 225.4411 5.314224 2495.992       117.2679 2450.145       142.5435 2592.000       206.2751 223.0700 6.535345 228.7614 9.231044 -5.691406      11.31030 
1 1 1 -16 8  9  o 86.88229 3.977636 370.9346       33.73719 411.2000       46.60394 326.6000       48.90217 91.35780 5.233494 81.26382 6.194550 10.09397       8.109371 
1 1 1 -16 8  10 o 99.17862 3.563572 482.8063       34.53849 469.6060       42.41109 508.8000       59.51419 97.73203 4.445031 101.5517 6.014179 -3.819664      7.478546 
1 1 1 -16 8  11 o 236.1047 4.785223 2736.417       110.5892 2631.328       152.6572 2852.474       160.4254 231.0878 6.756172 240.5954 6.818957 -9.507614      9.599169 
1 1 1 -16 8  12 o 144.8487 3.477166 1028.511       49.29992 1000.204       69.00632 1058.021       70.45754 142.6380 4.950010 146.7123 4.913238 -4.074295      6.974418 
1 1 1 -16 8  13 o 40.59844 4.465034 81.85651       17.45098 83.19033       22.22769 79.71336       28.17547 40.74334 5.731787 39.55709 7.552181 1.186249       9.480971 
1 1 1 -16 8  14 o 147.0045 4.828568 1062.261       69.38500 1067.000       95.66396 1057.000       100.7868 147.0442 6.663836 146.2784 7.059944 0.7658081      9.708219 
1 1 1 -16 8  15 o 14.80172 6.971220 -28.67194      26.08279 0.000000       0.000000 -28.67194      26.08279 ?        ?        14.80172 6.971220 ?              ?        
1 1 1 -16 8  16 o 59.96677 3.973594 177.1874       23.19230 157.1000       32.01476 199.3707       33.64357 56.20213 5.907806 63.44796 5.470615 -7.245831      8.051696 
1 1 1 -16 8  17 f 136.5527 3.866122 915.5280       51.62319 909.9000       84.72249 918.8513       65.10487 135.7552 6.393783 136.6717 4.874438 -0.9164734     8.039938 
1 1 1 -16 8  18 o 119.4493 3.679867 700.5902       42.97380 728.3000       69.90900 683.7598       54.48323 121.4843 5.896655 117.8781 4.731588 3.606232       7.560322 
1 1 1 -16 8  19 o 43.70267 4.198102 94.62435       17.73775 97.84974       22.40155 89.20345       29.04170 44.29672 5.269722 41.89497 7.349873 2.401756       9.043816 
1 1 1 -16 8  20 o 181.3842 4.518955 1616.557       80.23125 1593.000       134.6606 1629.521       99.89818 179.2289 7.693766 181.8292 5.619652 -2.600266      9.527566 
1 1 1 -16 8  21 o 39.48416 4.508385 77.60828       17.11218 60.96576       22.12314 102.3957       26.99934 34.54348 6.785153 45.13263 6.281620 -10.58916      9.246461 
1 1 1 -16 8  22 o 137.6785 3.405902 930.1620       45.89914 876.5406       62.78433 991.7190       67.26994 133.3895 4.816559 141.8869 4.850779 -8.497437      6.835883 
1 1 1 -16 8  23 o 80.39503 3.168966 317.6160       24.88866 314.8839       33.74611 320.8746       36.85473 79.90708 4.330701 80.61338 4.690944 -0.7062988     6.384350 
1 1 1 -16 8  24 o 81.77335 3.153786 328.6703       25.19622 307.1903       34.02189 354.7621       37.49667 78.88548 4.423831 84.77376 4.535327 -5.888275      6.335573 
1 1 1 -16 8  25 o 140.3612 4.079227 970.1215       55.98482 872.2000       95.98076 1020.618       68.92455 132.1345 7.451180 143.7772 4.904718 -11.64270      8.920557 
1 1 1 -16 8  26 o 65.19196 4.206727 210.1722       26.70053 213.5000       50.68549 208.8941       31.41253 64.80376 8.171898 64.85722 4.986347 -0.5346680E-01 9.573065 
1 1 1 -16 8  27 o 93.56554 3.826533 431.7191       34.97118 378.6000       61.83981 456.6938       42.40269 86.71284 7.355147 96.09669 4.520618 -9.383850      8.633319 
1 1 1 -16 8  28 o 142.8329 4.149985 1007.256       57.95890 892.2000       98.48616 1068.216       71.68706 133.0538 7.593619 146.8094 4.995903 -13.75557      9.089670 
1 1 1 -16 8  29 o 60.36809 3.529654 180.1138       20.76572 200.4865       28.07993 155.5243       30.84939 63.50546 4.547396 55.61474 5.749782 7.890713       7.330675 
1 1 1 -16 8  30 o 24.18042 6.669822 30.26253       16.29806 30.37875       20.57500 30.06678       26.70264 24.55180 7.696786 25.32733 8.802965 -0.7755299     11.69328 
1 1 1 -16 8  31 o 68.74342 3.521612 233.7402       23.61724 230.6069       31.11071 238.0018       36.28215 68.00059 4.702997 68.87819 5.425291 -0.8776016     7.179970 
1 1 1 -16 8  32 o 54.20797 4.416851 146.7805       23.23298 154.5936       27.87395 129.0000       42.04937 55.43082 5.198016 49.23496 9.059001 6.195866       10.44437 
1 1 1 -16 8  33 o 103.5358 4.697748 534.7790       47.48471 534.7790       47.48471 0.000000       0.000000 103.5358 4.697748 ?        ?        ?              ?        
1 1 1 -16 8  34 o 41.71545 6.525161 90.11933       25.77123 86.31000       30.58275 99.45000       47.86391 40.27575 8.039363 42.05521 11.36118 -1.779457      13.91790 
1 1 1 -16 8  35 o 78.67856 4.120766 308.4955       31.62453 328.4786       37.87634 262.5000       57.46376 80.93702 4.802545 70.52834 8.494689 10.40868       9.758287 
1 1 1 -16 8  36 f 46.92085 4.895596 111.3541       22.15383 105.0731       29.68914 119.2450       33.27750 44.82705 6.994584 47.65223 7.372265 -2.825176      10.16241 
1 1 1 -16 8  37 o 15.16510 6.813716 -8.124764      21.09595 -25.14000      29.70499 9.189716       29.96506 16.14991 7.552926 21.09543 8.778282 -4.945522      11.58037 
1 1 1 -16 8  38 o 20.29678 7.560670 17.51168       20.10412 -3.623300      27.17239 43.07479       29.88366 18.05880 7.943700 28.44670 9.312897 -10.38791      12.24061 
1 1 1 -16 8  39 o 39.74278 5.925167 82.26968       22.34636 78.53210       30.89374 86.37106       32.36243 37.68386 8.569777 39.54399 8.605922 -1.860126      12.14508 
1 1 1 -16 8  40 f 70.71211 4.010085 251.1078       27.64202 284.7299       39.25050 218.0242       38.93486 74.54913 5.415872 64.72181 6.222431 9.827316       8.249262 
1 1 1 -16 8  41 o 72.72292 4.040859 266.3905       28.65103 265.4847       40.80088 267.2718       40.24225 71.48334 5.883236 71.80017 5.774653 -0.3168335     8.243730 
1 1 1 -16 8  42 o 54.04758 4.983098 150.1326       26.06559 169.7957       37.27493 131.3168       36.46312 56.32937 6.904676 48.82719 7.898907 7.502178       10.49129 
1 1 1 -16 8  43 o 18.65341 7.810833 7.819419       23.94456 17.63891       33.83939 -2.027210      33.88611 22.75598 9.385883 19.75786 8.772326 2.998114       12.84712 
1 1 1 -16 8  44 o 28.38771 8.183493 45.94851       23.98291 36.96580       34.09203 54.74905       33.74454 26.37893 9.841837 30.39580 9.892680 -4.016870      13.95446 
1 1 1 -16 8  45 o 18.48486 7.703546 8.581877       23.12723 16.64919       33.47577 1.215435       31.98857 22.35415 9.288182 19.59810 8.619965 2.756042       12.67178 
1 1 1 -16 8  46 o 26.19738 8.303110 39.12652       23.88274 33.40112       34.42151 44.44128       33.16415 25.45568 9.797853 27.71908 9.797091 -2.263397      13.85572 
1 1 1 -16 8  47 o 25.31152 8.316794 36.37405       23.82368 36.08382       35.67624 36.60763       32.00544 25.97135 9.980390 25.78211 9.551777 0.1892376      13.81465 
1 1 1 -16 8  48 o 25.09018 9.846745 32.69016       35.29547 32.69016       35.29547 0.000000       0.000000 25.09018 9.846745 ?        ?        ?              ?        
1 1 1 -16 8  49 o 18.28582 7.683247 8.749129       23.29147 39.00220       35.76225 -13.53638      30.69385 26.19256 10.01073 17.00958 7.859627 9.182985       12.72747 
1 1 1 -16 8  50 o 35.36116 9.269253 77.35735       32.46774 0.000000       0.000000 77.35735       32.46774 ?        ?        35.36116 9.269253 ?              ?        
1 1 1 -16 8  51 o 32.33096 8.570042 63.25701       27.55570 41.71000       53.67217 70.96943       32.11078 27.56919 11.62809 33.65683 9.391906 -6.087633      14.94725 
1 1 1 -16 8  52 o 44.49932 5.993751 107.6084       25.44384 116.9736       38.10514 100.0732       34.18006 43.67909 9.203453 40.62663 8.846490 3.052467       12.76573 
1 1 1 -16 8  53 o 30.63054 8.696946 57.43996       27.28726 67.98962       36.36188 43.84000       41.28533 32.17761 10.25074 27.06004 10.64058 5.117571       14.77497 
1 1 1 -16 8  54 o 23.68392 8.769361 31.62517       26.96983 28.47804       35.51920 35.91000       41.44505 23.82739 9.697346 25.59817 10.45358 -1.770773      14.25888 
1 1 1 -16 8  55 o 16.90972 7.458304 0.9029101      24.10417 6.414526       36.44559 -3.382434      32.13649 20.58972 9.121958 18.40086 8.325571 2.188856       12.35011 
1 1 1 -16 8  56 o 35.35722 7.626733 73.83492       25.61858 67.87534       37.98914 78.80573       34.69484 31.41575 10.50848 34.57201 9.803449 -3.156256      14.37135 
1 1 1 -16 8  57 o 22.17398 8.334246 27.67035       24.54099 18.49953       36.32688 35.36948       33.28471 21.83345 9.397407 24.39332 9.565467 -2.559872      13.40930 
1 1 1 -16 9  1  o 295.0350 8.155389 4296.697       235.2922 0.000000       0.000000 4296.697       235.2922 ?        ?        295.0350 8.155389 ?              ?        
1 1 1 -16 9  2  o 156.3222 4.095088 1199.146       62.60599 1392.000       121.9441 1130.120       72.95461 167.9396 7.436693 151.6625 4.920890 16.27710       8.917374 
1 1 1 -16 9  3  o 174.7788 3.802118 1497.608       65.04597 1517.740       93.79958 1478.958       90.27918 175.7059 5.460543 173.4637 5.323374 2.242157       7.625998 
1 1 1 -16 9  4  o 103.5506 4.628661 527.1753       46.79670 482.9000       69.70786 563.5000       63.13963 98.75911 7.261827 106.8979 6.059103 -8.138832      9.457634 
1 1 1 -16 9  5  o 56.08318 3.331494 154.6858       18.20609 134.4516       26.41466 172.9970       25.12808 52.06452 5.255030 59.22584 4.365202 -7.161324      6.831568 
1 1 1 -16 9  6  o 110.2944 3.122704 596.5580       33.67853 581.8426       48.34750 610.4297       46.94091 108.8012 4.549813 111.4705 4.310271 -2.669250      6.267315 
1 1 1 -16 9  7  o 107.1666 3.572708 563.5958       37.42449 562.0911       47.00891 566.2000       61.84376 106.9387 4.501023 107.1634 5.918794 -0.2246933     7.435814 
1 1 1 -16 9  8  o 139.9952 3.934082 961.8297       53.85572 947.1002       66.66632 989.5000       91.37353 138.8110 4.914306 141.6453 6.608621 -2.834320      8.235550 
1 1 1 -16 9  9  o 110.9566 3.625526 604.2048       39.32303 619.9551       49.34569 576.8000       65.09077 112.3123 4.497746 108.1200 6.176145 4.192284       7.640319 
1 1 1 -16 9  10 o 87.80621 3.106787 378.2880       26.65987 337.2450       36.81783 423.5284       38.65471 82.77223 4.561945 92.81666 4.266122 -10.04443      6.245890 
1 1 1 -16 9  11 o 126.1998 3.301306 781.1453       40.74532 739.5128       56.71382 825.5574       58.57647 122.6465 4.733076 129.6080 4.624680 -6.961555      6.617377 
1 1 1 -16 9  12 o 161.5688 3.694525 1280.014       58.42815 1213.714       80.85938 1352.455       84.52204 157.0882 5.266171 165.8412 5.213280 -8.753006      7.410186 
1 1 1 -16 9  13 o 91.78687 4.144907 414.1681       37.14322 409.1000       48.30379 421.5000       58.09904 91.07490 5.443302 92.30519 6.471381 -1.230293      8.456259 
1 1 1 -16 9  14 o 127.9651 4.751718 805.1812       59.41464 0.000000       0.000000 805.1812       59.41464 ?        ?        127.9651 4.751718 ?              ?        
1 1 1 -16 9  15 o 136.2685 3.851226 911.5889       51.31741 899.5000       83.95048 918.8010       64.84278 135.0021 6.370936 136.6841 4.854311 -1.681946      8.009566 
1 1 1 -16 9  16 o 58.26119 3.500057 167.0506       19.86797 157.4456       26.29737 179.8243       30.32653 56.41128 4.808347 60.26445 5.191651 -3.853176      7.076259 
1 1 1 -16 9  17 o 39.95391 4.311553 79.27747       16.59492 71.15603       20.59177 94.32542       28.02953 37.59432 5.780691 43.20964 6.855853 -5.615322      8.967670 
1 1 1 -16 9  18 o 73.02980 3.294286 262.0551       23.48811 253.6869       31.59416 272.3949       35.11916 71.72482 4.523229 74.29135 4.856091 -2.566528      6.636355 
1 1 1 -16 9  19 o 45.04512 3.926965 100.3456       17.14164 95.03573       22.15761 108.2605       27.05237 43.63539 5.296027 46.48084 6.092535 -2.845451      8.072600 
1 1 1 -16 9  20 o 60.90299 3.421844 182.5421       20.31678 188.4485       27.38581 175.3124       30.29907 61.75314 4.562878 59.45212 5.260859 2.301025       6.963943 
1 1 1 -16 9  21 o 141.2108 3.452177 978.5155       47.71635 960.3674       66.61329 997.6412       68.38376 139.6260 4.881540 142.3064 4.916717 -2.680344      6.928459 
1 1 1 -16 9  22 o 40.58475 4.215386 81.82248       16.50217 80.58218       20.89531 83.87834       26.90180 40.06917 5.470297 40.59447 7.024489 -0.5252991     8.903235 
1 1 1 -16 9  23 o 98.58180 3.145820 477.3900       30.31660 482.1790       41.88054 472.1180       43.94201 98.91232 4.336229 97.82990 4.601728 1.082428       6.322878 
1 1 1 -16 9  24 o 133.5923 3.368646 877.0377       44.01456 894.1873       62.23318 859.8741       62.25881 134.6269 4.729978 131.9935 4.826965 2.633453       6.758127 
1 1 1 -16 9  25 o 93.19811 3.074262 426.9257       28.00655 386.1046       37.58092 477.9141       42.00116 88.43066 4.355083 98.40351 4.371493 -9.972847      6.170632 
1 1 1 -16 9  26 o 95.03387 3.780602 445.1541       35.09765 513.5000       67.22769 419.5461       41.15087 101.3037 6.819528 92.10220 4.578959 9.201546       8.214185 
1 1 1 -16 9  27 o 73.20695 4.050545 264.9728       28.91185 192.0000       53.13913 295.6577       34.45848 60.90647 9.199953 77.23677 4.578452 -16.33030      10.27625 
1 1 1 -16 9  28 o 100.6348 3.863545 500.0144       37.98682 364.8000       65.74046 567.7904       46.54351 84.65688 8.029480 107.0985 4.449556 -22.44160      9.179929 
1 1 1 -16 9  29 o 84.52627 3.931592 353.4023       32.43956 335.2000       60.22230 360.8427       38.50298 81.12099 7.675630 85.24009 4.632113 -4.119102      8.965030 
1 1 1 -16 9  30 o 76.75744 3.805333 291.6037       28.50120 270.7491       33.27865 349.0000       55.20867 73.75431 4.633101 82.99822 6.856789 -9.243912      8.275335 
1 1 1 -16 9  31 o 70.52584 3.849935 246.6411       26.47633 229.6950       31.45814 287.8000       49.02626 67.81441 4.769617 75.23989 6.727858 -7.425476      8.247019 
1 1 1 -16 9  32 f 100.6302 5.203449 506.9845       51.07969 461.7000       72.14588 552.5000       72.32964 94.66803 7.856478 104.0475 7.145339 -9.379517      10.61980 
1 1 1 -16 9  33 o 80.35951 4.662836 322.6629       36.51945 322.6629       36.51945 0.000000       0.000000 80.35951 4.662836 ?        ?        ?              ?        
1 1 1 -16 9  34 o 38.44744 5.804156 76.00381       21.16335 88.41726       24.87425 43.46000       40.27523 41.34704 6.348698 29.85613 10.76898 11.49091       12.50108 
1 1 1 -16 9  35 o 29.14776 7.868094 45.51788       22.96699 55.28000       28.09918 25.87000       39.86388 31.92882 8.738244 26.38289 10.43058 5.545927       13.60713 
1 1 1 -16 9  36 f 28.95993 8.407911 45.10431       25.23369 63.13000       30.34149 4.671000       45.44232 33.94355 8.990644 24.25998 10.47663 9.683569       13.80548 
1 1 1 -16 9  37 o 53.09709 4.512784 141.9820       23.23225 141.4158       32.08034 142.6064       33.68940 52.26317 6.404716 52.34001 6.731554 -0.7683945E-01 9.291619 
1 1 1 -16 9  38 o 62.51693 4.135213 195.9749       25.16253 215.5379       35.39724 175.9908       35.77617 64.93384 5.624605 58.27506 6.375922 6.658779       8.502269 
1 1 1 -16 9  39 o 18.38710 7.505518 8.866593       21.35372 -2.026529      29.15085 21.48005       31.36839 18.80050 8.250250 23.49072 9.263365 -4.690222      12.40470 
1 1 1 -16 9  40 o 15.76733 6.990833 -4.314862      21.44607 -17.63894      29.55419 10.50486       31.16884 16.73169 7.724508 21.26943 8.909273 -4.537743      11.79166 
1 1 1 -16 9  41 o 35.37756 7.016516 68.10612       23.43885 64.65042       32.23774 71.98146       34.13900 33.34672 9.447881 35.07095 9.645131 -1.724228      13.50152 
1 1 1 -16 9  42 o 56.84080 4.769939 165.4527       26.29411 172.1999       37.35345 158.8256       37.01976 56.70115 6.870242 54.24512 7.145765 2.456028       9.912728 
1 1 1 -16 9  43 o 17.25415 7.463949 1.743380       23.14356 10.93709       32.40385 -7.829940      33.06607 21.30762 9.013480 18.76423 8.471801 2.543388       12.36989 
1 1 1 -16 9  44 o 39.76183 6.579443 85.51997       24.71240 108.0954       35.90084 65.19034       34.06834 43.33954 8.764356 32.93442 9.825552 10.40512       13.16645 
1 1 1 -16 9  45 f 37.61620 6.805009 77.50435       24.13378 113.0244       35.44754 46.81360       32.94981 44.43024 8.459715 28.34825 9.782429 16.08198       12.93301 
1 1 1 -16 9  46 o 46.18629 5.648901 112.8927       25.00688 105.1281       36.37869 119.8484       34.43170 42.18322 9.079611 46.04113 7.926132 -3.857910      12.05251 
1 1 1 -16 9  47 o 30.20366 10.12977 56.12383       35.29771 56.12383       35.29771 0.000000       0.000000 30.20366 10.12977 ?        ?        ?              ?        
1 1 1 -16 9  48 o 23.47134 8.184428 30.58106       23.09180 32.40261       35.11150 29.19266       30.65396 24.93232 9.810091 23.83205 9.226574 1.100269       13.46728 
1 1 1 -16 9  49 o 21.19755 8.315962 20.84254       25.16634 62.81000       46.52952 3.488814       29.92049 30.75414 11.49306 19.01652 8.351329 11.73762       14.20687 
1 1 1 -16 9  50 o 35.83840 7.233562 73.03848       24.49940 49.08138       36.94018 91.85110       32.73456 28.17316 10.29153 39.08353 8.772491 -10.91037      13.52302 
1 1 1 -16 9  51 o 16.47842 7.277714 -0.2878999     23.02338 3.865157       35.22334 -3.385862      30.42178 20.17072 8.950341 18.09474 8.151677 2.075989       12.10613 
1 1 1 -16 9  52 o 19.66135 8.199355 12.95775       26.22577 4.721000       50.54416 15.99225       30.67865 22.90763 10.39514 21.07946 8.834940 1.828169       13.64240 
1 1 1 -16 9  53 o 22.80707 8.227022 28.82223       23.50625 3.861769       35.18648 48.94019       31.58941 20.10788 8.932754 27.99053 9.581264 -7.882652      13.09942 
1 1 1 -16 9  54 o 33.11394 8.478144 66.83343       27.59521 66.49639       36.21567 67.30000       42.61058 31.64499 10.24466 31.22138 11.09826 0.4236012      15.10379 
1 1 1 -16 9  55 o 38.77864 7.940583 89.07237       29.12530 80.09644       38.48814 101.1000       44.55299 34.34982 10.48656 37.90195 11.21861 -3.552132      15.35660 
1 1 1 -16 9  56 o 46.73540 6.832572 123.9000       30.33264 118.6654       39.74681 131.2000       46.93818 42.82699 9.706597 43.43570 11.02339 -0.6087112     14.68786 
1 1 1 -16 9  57 o 26.41247 9.398605 45.28635       30.56603 43.01847       37.02473 50.14000       54.16453 25.87274 10.10529 27.27951 11.60116 -1.406769      15.38518 
1 1 1 -16 10 1  o 190.9302 4.038990 1787.754       75.48376 1800.564       108.5655 1775.766       105.0230 191.3196 5.804018 190.0212 5.652740 1.298340       8.101858 
1 1 1 -16 10 2  o 234.8606 6.711443 2716.942       154.1299 2469.000       206.0373 3032.000       232.2554 223.1712 9.453362 247.2977 9.613190 -24.12642      13.48256 
1 1 1 -16 10 3  o 215.0235 4.428387 2268.368       93.20468 2162.581       129.4594 2382.208       134.2963 209.5905 6.317595 220.0000 6.242730 -10.40947      8.881649 
1 1 1 -16 10 4  o 214.9911 4.428017 2267.719       93.18285 2109.196       127.2823 2450.813       136.7919 206.9871 6.289595 223.1390 6.269157 -16.15192      8.880390 
1 1 1 -16 10 5  f 124.3277 3.745052 758.5408       45.52359 724.5601       56.36394 822.3000       77.20686 121.4076 4.752135 129.1702 6.123868 -7.762566      7.751422 
1 1 1 -16 10 6  o 198.9133 4.848538 1942.317       94.40194 1919.035       115.9888 1988.000       162.4759 197.4678 6.007848 200.4881 8.297240 -3.020325      10.24395 
1 1 1 -16 10 7  o 282.2501 6.415410 3919.919       177.2412 3906.749       217.4379 3946.000       305.9726 281.2771 7.905433 281.4686 11.12764 -0.1914673     13.64992 
1 1 1 -16 10 8  o 149.7849 4.061505 1101.234       59.49223 1088.630       73.59575 1125.000       101.0601 148.8047 5.060135 150.9903 6.855814 -2.185623      8.520983 
1 1 1 -16 10 9  o 45.86404 3.973104 103.9374       17.66070 121.1625       24.62826 85.70388       25.33890 49.39993 5.169789 41.23884 6.491689 8.161095       8.298719 
1 1 1 -16 10 10 o 118.2488 3.612318 686.2054       41.76182 758.6000       71.67033 648.9891       51.38701 124.0609 5.919059 114.8979 4.578314 9.163040       7.483062 
1 1 1 -16 10 11 o 51.72080 4.423964 132.2330       22.18178 123.3021       25.91587 156.7000       42.89516 49.80258 5.402724 55.76410 8.094966 -5.961525      9.732312 
1 1 1 -16 10 12 o 60.06627 5.293418 178.6492       30.80430 0.000000       0.000000 178.6492       30.80430 ?        ?        60.06627 5.293418 ?              ?        
1 1 1 -16 10 13 o 153.1509 4.062270 1151.570       60.84303 1163.000       102.6382 1145.378       75.54800 153.4649 6.849982 152.6046 5.064672 0.8603210      8.518988 
1 1 1 -16 10 14 o 30.05274 6.017646 46.01775       17.08390 46.44000       22.22806 45.40835       26.70355 30.08915 7.558163 29.95695 8.634994 0.1322079      11.47558 
1 1 1 -16 10 15 o 99.25726 3.150706 483.4355       30.57215 432.3954       41.60887 543.3180       45.06925 93.72721 4.548968 105.1073 4.390346 -11.38006      6.322044 
1 1 1 -16 10 16 o 144.1961 3.504926 1019.776       49.46963 1007.837       70.23203 1031.531       69.69235 143.1032 5.021729 144.7929 4.924523 -1.689682      7.033398 
1 1 1 -16 10 17 o 65.46840 3.405562 210.7678       21.74859 232.9161       29.31483 183.6527       32.43572 68.73034 4.380247 60.84867 5.505360 7.881664       7.035307 
1 1 1 -16 10 18 o 59.48998 3.372555 174.1333       19.55810 142.3031       25.97735 215.7874       29.71695 53.56443 5.012874 66.10806 4.621551 -12.54362      6.818184 
1 1 1 -16 10 19 o 72.05539 3.239787 255.1634       22.79171 248.6373       31.15372 262.6786       33.43137 70.98669 4.506870 72.94517 4.707348 -1.958473      6.516978 
1 1 1 -16 10 20 o 33.06189 4.932521 54.94634       15.47496 68.50043       19.52923 32.07474       25.36869 36.87847 5.584714 25.97901 8.584391 10.89946       10.24113 
1 1 1 -16 10 21 o 88.73748 3.139410 386.7740       27.22554 379.1830       37.18956 395.5406       39.96562 87.71604 4.344998 89.55956 4.574138 -1.843521      6.308863 
1 1 1 -16 10 22 o 89.18366 3.128883 390.7517       27.27141 376.1865       37.40471 407.2804       39.84614 87.34145 4.389287 90.87197 4.493650 -3.530525      6.281619 
1 1 1 -16 10 23 f 130.2935 3.970224 835.5108       50.57514 936.5000       96.59654 797.3722       59.36174 137.0874 7.224260 127.1221 4.779178 9.965294       8.662014 
1 1 1 -16 10 24 o 32.07633 5.033802 51.96949       15.28495 55.27162       19.09044 46.07206       25.51237 32.88537 6.156939 29.90703 8.380982 2.978344       10.39946 
1 1 1 -16 10 25 o 40.61034 4.163773 82.06961       16.31709 68.19868       20.65547 105.0938       26.61180 36.63489 5.965202 45.63495 6.111056 -9.000057      8.539826 
1 1 1 -16 10 26 o 107.6352 3.164639 569.8748       33.30525 573.8325       46.76283 565.8006       47.44608 107.7459 4.443517 106.9643 4.541978 0.7816162      6.354086 
1 1 1 -16 10 27 o 31.45087 5.553021 50.50957       16.47012 48.63826       21.76599 53.01643       25.19240 30.54091 7.366760 31.82171 8.075776 -1.280804      10.93103 
1 1 1 -16 10 28 o 80.60931 3.954172 321.4037       31.10425 305.2000       59.35248 327.5389       36.52099 77.31426 7.956285 81.22362 4.612568 -3.909355      9.196643 
1 1 1 -16 10 29 o 90.52457 3.929669 405.4217       34.73705 321.3000       63.07222 442.0475       41.61769 79.08028 8.270385 94.37164 4.518495 -15.29136      9.424227 
1 1 1 -16 10 30 o 42.87824 6.084830 93.85256       24.82194 75.69000       49.72685 99.87987       28.64599 37.55561 11.99007 44.02253 6.872306 -6.466919      13.81993 
1 1 1 -16 10 31 o 18.44670 7.090650 12.09869       18.01091 1.925790       20.26486 50.35000       39.29564 16.80918 7.120067 31.45420 10.68791 -14.64503      12.84239 
1 1 1 -16 10 32 o 31.24112 6.585669 51.11692       19.50305 50.25111       22.01852 54.27000       42.01881 30.79715 7.397210 32.42075 11.05144 -1.623604      13.29861 
1 1 1 -16 10 33 o 75.16354 4.497111 282.2402       32.93492 199.5000       62.75001 313.6996       38.69284 60.07111 11.08001 79.05943 5.026031 -18.98831      12.16666 
1 1 1 -16 10 34 f 17.42539 7.214821 5.475689       20.09922 -8.775000      23.83812 40.52000       37.38202 16.19076 7.261298 28.85466 10.37919 -12.66390      12.66704 
1 1 1 -16 10 35 o 74.11233 4.530847 275.1331       32.71114 295.2000       42.66049 246.5000       50.95890 76.24939 5.758444 68.65668 7.716243 7.592712       9.628088 
1 1 1 -16 10 36 o 30.44649 7.499516 49.83563       22.20094 52.58841       26.56483 43.46000       40.42812 31.08312 8.492069 29.59243 10.77309 1.490690       13.71768 
1 1 1 -16 10 37 o 24.73119 8.157331 31.47238       22.91077 25.57836       26.55399 48.64000       45.31887 23.68334 8.713423 30.95882 11.38436 -7.275478      14.33623 
1 1 1 -16 10 38 o 53.58932 4.514873 145.1102       23.46257 146.4250       31.98258 143.5780       34.52528 53.07753 6.277312 52.23285 6.923172 0.8446808      9.345317 
1 1 1 -16 10 39 o 99.95236 3.624461 498.6329       35.40162 557.1036       51.40863 445.8973       48.82232 104.7290 5.029607 93.43830 5.360604 11.29075       7.350716 
1 1 1 -16 10 40 o 69.78169 4.009180 245.1059       27.26914 254.8116       37.58323 234.3161       39.62664 70.30853 5.504959 67.01868 6.107711 3.289848       8.222451 
1 1 1 -16 10 41 o 37.96382 6.481717 77.23240       23.22211 50.27871       31.18139 110.8000       34.79739 29.62082 9.498480 44.53827 8.286811 -14.91745      12.60525 
1 1 1 -16 10 42 o 29.95381 7.883534 50.59346       23.42437 43.59521       32.59431 58.06872       33.68682 27.88753 9.723717 31.37465 9.850309 -3.487123      13.84122 
1 1 1 -16 10 43 o 57.21428 4.762136 168.1300       26.42778 166.6166       37.80761 169.5760       36.95597 55.39576 7.138386 56.08460 6.875510 -0.6888351     9.911064 
1 1 1 -16 10 44 o 29.91047 7.965187 51.02624       23.73410 96.96449       35.39042 13.47790       31.99586 40.69215 9.112328 21.53776 9.024524 19.15440       12.82484 
1 1 1 -16 10 45 o 17.00999 7.369305 1.989339       22.62804 9.367077       33.47608 -4.217514      30.70497 21.06577 9.043403 18.41563 8.251472 2.650143       12.24214 
1 1 1 -16 10 46 o 28.62804 9.901674 49.02634       33.76555 49.02634       33.76555 0.000000       0.000000 28.62804 9.901674 ?        ?        ?              ?        
1 1 1 -16 10 47 o 28.33408 8.000427 46.73748       23.15664 30.45633       34.54924 60.01732       31.20273 24.63267 9.719215 31.31419 9.417491 -6.681526      13.53338 
1 1 1 -16 10 48 o 18.26918 7.774168 7.258128       24.34938 45.41000       44.82868 -8.708310      29.00027 27.82787 11.04221 17.10885 7.806493 10.71902       13.52301 
1 1 1 -16 10 49 o 23.74900 8.158039 32.03724       22.90696 5.828731       35.45166 50.82227       30.01383 20.53804 9.052405 28.69254 9.329202 -8.154503      12.99923 
1 1 1 -16 10 50 o 24.09112 8.222016 33.16799       23.25870 37.12810       35.91137 30.30649       30.52637 25.72228 9.978784 23.90906 9.220475 1.813221       13.58651 
1 1 1 -16 10 51 o 37.41834 6.824234 78.61513       24.07386 94.41212       37.12294 67.15057       31.62524 38.54811 9.814323 32.69035 9.389145 5.857758       13.58223 
1 1 1 -16 10 52 o 27.67011 8.145327 45.76221       23.53964 56.30889       36.19345 38.03044       30.98929 29.51330 10.24918 25.47376 9.405901 4.039537       13.91103 
1 1 1 -16 10 53 o 27.95962 8.770115 47.89967       26.70972 1.150000       49.00290 67.65922       31.85819 22.24519 10.14918 32.65445 9.437471 -10.40926      13.85899 
1 1 1 -16 10 54 o 32.01091 8.665305 63.18127       27.81000 35.42000       51.25336 74.76495       33.10746 26.19711 11.21695 34.14159 9.539986 -7.944481      14.72519 
1 1 1 -16 10 55 o 18.07011 7.707016 8.117551       24.02652 -11.13028      36.58492 22.71492       31.86020 18.43798 8.541072 22.18550 9.124453 -3.747522      12.49822 
1 1 1 -16 10 56 o 34.88779 10.45282 84.45907       38.49428 84.45907       38.49428 0.000000       0.000000 34.88779 10.45282 ?        ?        ?              ?        
1 1 1 -16 10 57 o 20.66120 8.479636 19.44320       27.44149 22.23139       36.43853 15.79000       41.70961 22.33113 9.506703 22.11108 9.779071 0.2200527      13.63846 
1 1 1 -16 11 1  o 180.6241 4.490885 1600.930       79.39879 1776.000       150.0648 1532.866       93.56868 189.5126 8.108482 176.5545 5.420761 12.95804       9.753571 
1 1 1 -16 11 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 11 3  o 180.2600 3.897086 1593.464       68.76155 1534.019       96.64996 1654.393       97.84815 176.5909 5.598559 183.4183 5.456157 -6.827393      7.817513 
1 1 1 -16 11 4  o 226.5190 5.341226 2520.709       118.4273 2452.292       143.6293 2666.000       209.3047 223.1105 6.584038 231.9107 9.238941 -8.800201      11.34494 
1 1 1 -16 11 5  o 115.7486 3.668888 657.5394       41.51524 607.3742       51.10343 754.9000       71.19347 111.1379 4.708325 123.7705 5.893403 -12.63259      7.543243 
1 1 1 -16 11 6  o 137.3864 3.925452 926.4462       52.73444 914.3268       66.19466 947.5000       87.24633 136.3654 4.967510 138.6031 6.448517 -2.237701      8.139996 
1 1 1 -16 11 7  o 128.4701 3.824850 810.0898       48.04395 787.1944       59.81878 851.7000       80.64239 126.5298 4.838823 131.4146 6.287460 -4.884834      7.933874 
1 1 1 -16 11 8  o 129.7057 3.327316 825.1769       42.20857 800.7430       60.51034 848.3322       58.90586 127.6109 4.853196 131.3857 4.587446 -3.774811      6.678186 
1 1 1 -16 11 9  o 74.26053 3.215636 270.7927       23.31849 261.9727       33.41846 279.1618       32.55322 72.89796 4.708626 75.29049 4.436874 -2.392532      6.469699 
1 1 1 -16 11 10 o 32.08936 6.389264 52.46520       19.36302 63.60280       22.44789 20.09000       38.27241 35.35733 6.732006 26.13016 10.25398 9.227169       12.26638 
1 1 1 -16 11 11 o 75.15637 4.622462 278.3562       33.84068 0.000000       0.000000 278.3562       33.84068 ?        ?        75.15637 4.622462 ?              ?        
1 1 1 -16 11 12 o 93.14472 3.445679 425.9626       31.36102 414.1000       49.50955 433.9119       40.52874 91.60349 5.547679 93.91570 4.421194 -2.312218      7.093920 
1 1 1 -16 11 13 o 92.95566 3.195398 424.0745       29.03092 390.6072       40.78881 458.4330       41.32834 89.05882 4.695644 96.53712 4.385135 -7.478310      6.424833 
1 1 1 -16 11 14 o 90.90360 3.155679 405.5794       28.03632 391.8079       39.70778 419.2701       39.59116 89.20491 4.562741 92.30550 4.394540 -3.100594      6.334871 
1 1 1 -16 11 15 o 287.2397 6.504579 4067.850       182.8815 4284.000       326.1231 3968.697       220.8798 292.3401 11.41887 283.0851 7.979328 9.255005       13.93055 
1 1 1 -16 11 16 o 133.9596 3.799238 881.2509       49.76658 919.7000       83.73112 860.2488       61.88351 136.4564 6.285719 132.2198 4.789502 4.236572       7.902506 
1 1 1 -16 11 17 o 51.35041 3.609018 130.0070       18.02456 121.9915       24.47592 139.5046       26.64287 49.54198 5.121038 53.00182 5.202473 -3.459839      7.300051 
1 1 1 -16 11 18 o 35.54974 4.500994 63.08960       15.31162 51.31763       19.49943 82.02122       24.72813 31.67442 6.507203 40.26661 6.494864 -8.592190      9.193853 
1 1 1 -16 11 19 o 72.97465 3.172224 261.6974       22.60494 239.4201       30.60242 288.4487       33.53488 69.64179 4.513623 76.46921 4.500161 -6.827415      6.373715 
1 1 1 -16 11 20 o 84.73452 3.122257 352.6908       25.85187 316.5131       34.64815 398.1237       38.82796 80.10933 4.435981 89.87449 4.427317 -9.765160      6.267301 
1 1 1 -16 11 21 o 111.0605 3.193957 605.7769       34.68514 639.3131       49.17270 572.5673       48.93259 113.9169 4.418288 107.7581 4.650135 6.158783       6.414439 
1 1 1 -16 11 22 o 172.5635 3.861817 1463.755       65.22993 1397.572       90.12009 1536.583       94.53640 168.1593 5.482458 176.3319 5.483907 -8.172592      7.754391 
1 1 1 -16 11 23 o 127.3001 3.291454 796.4329       40.97871 758.3196       56.27761 839.4474       59.78674 123.9566 4.646534 130.4172 4.691071 -6.460556      6.602759 
1 1 1 -16 11 24 o 117.4393 3.874926 679.4019       44.48240 679.7000       82.01240 679.2776       52.94709 116.5380 7.225151 117.2684 4.621747 -0.7304001     8.576908 
1 1 1 -16 11 25 o 131.7723 3.991806 856.1185       51.42789 890.9000       95.74515 842.0143       60.96981 133.2589 7.369000 130.4724 4.782173 2.786469       8.784722 
1 1 1 -16 11 26 o 69.48586 3.241558 237.9558       21.98659 240.9154       29.84509 234.4433       32.51347 69.71613 4.395924 68.67102 4.868653 1.045113       6.559568 
1 1 1 -16 11 27 o 106.4083 3.181120 557.5174       33.09589 538.2524       45.84592 578.4825       47.82616 104.2353 4.504075 108.0594 4.531708 -3.824013      6.389293 
1 1 1 -16 11 28 o 34.99315 4.979631 61.93456       16.57554 75.48781       21.31946 41.22073       26.35631 38.49292 5.841564 28.31745 8.684146 10.17547       10.46605 
1 1 1 -16 11 29 o 78.39001 4.130165 304.8091       31.57907 281.2000       60.28104 313.7388       37.07326 73.70730 8.511512 79.35083 4.795511 -5.643532      9.769481 
1 1 1 -16 11 30 o 56.92965 6.361744 165.0228       34.84507 229.8000       57.06010 126.5000       44.00282 66.11613 9.054578 48.55375 9.599054 17.56238       13.19573 
1 1 1 -16 11 31 o 79.90110 5.403227 320.7868       42.00978 350.9000       66.51162 300.8000       54.18647 82.13177 8.391109 76.53568 7.322211 5.596085       11.13667 
1 1 1 -16 11 32 o 42.76227 6.422067 94.35140       26.05104 78.31000       55.41639 98.90205       29.51574 37.81912 12.69255 43.53903 7.175529 -5.719910      14.58043 
1 1 1 -16 11 33 o 54.38796 4.266791 147.9862       22.53314 167.7000       32.04671 128.7093       31.68964 57.42024 5.780379 49.91821 6.650977 7.502029       8.811826 
1 1 1 -16 11 34 o 27.25898 7.017037 39.47446       18.83322 54.66000       24.95441 19.37927       28.70637 31.85910 8.011369 22.86209 8.906993 8.997015       11.97984 
1 1 1 -16 11 35 o 41.36604 5.679404 87.91536       22.38961 86.65776       26.67982 90.91000       41.17036 40.60212 6.963750 40.21436 10.38668 0.3877563      12.50507 
1 1 1 -16 11 36 o 76.00079 5.823783 294.6936       42.99404 221.9000       69.41502 340.0000       54.76292 62.07710 11.85617 80.96632 6.977985 -18.88922      13.75722 
1 1 1 -16 11 37 o 17.87842 7.387946 6.699017       21.01917 10.92998       25.03174 -3.417000      38.70582 19.98607 8.138255 21.38621 9.441133 -1.400141      12.46460 
1 1 1 -16 11 38 o 13.95172 6.404214 -12.18286      19.90905 7.028187       25.58031 -41.69920      31.70747 19.27479 8.072273 15.11009 7.272252 4.164701       10.86495 
1 1 1 -16 11 39 o 47.86592 4.988963 117.3853       23.03185 163.5420       31.28520 62.76854       34.03176 56.17963 5.771214 33.01295 9.813296 23.16668       11.38454 
1 1 1 -16 11 40 o 40.28423 5.855295 85.37520       22.41269 80.80196       29.64731 91.47466       34.23885 37.96925 8.216125 40.01080 8.965178 -2.041550      12.16056 
1 1 1 -16 11 41 o 21.56213 7.881176 22.42069       21.66789 31.87745       29.02756 10.52066       32.56218 24.93761 9.120847 21.36568 9.036636 3.571928       12.83942 
1 1 1 -16 11 42 o 34.50693 7.071646 65.53568       23.08209 72.81224       31.35418 56.92628       34.10505 35.31595 9.034636 30.99273 9.933344 4.323221       13.42743 
1 1 1 -16 11 43 o 37.30713 6.673357 75.70887       23.47458 87.13894       32.70438 63.56159       33.71483 38.74697 8.821547 32.53656 9.790178 6.210415       13.17829 
1 1 1 -16 11 44 o 14.99576 6.821390 -8.961606      21.92874 -16.56594      30.77951 -1.123173      31.24969 16.94527 7.844205 19.04762 8.442328 -2.102354      11.52408 
1 1 1 -16 11 45 o 20.81863 8.881997 10.09310       31.92829 10.09310       31.92829 0.000000       0.000000 20.81863 8.881997 ?        ?        ?              ?        
1 1 1 -16 11 46 o 21.17209 7.980072 21.62395       22.53432 11.43162       33.18179 30.34835       30.69946 21.20822 9.051630 24.28203 9.276440 -3.073816      12.96088 
1 1 1 -16 11 47 o 37.73848 7.331594 80.53238       26.10630 75.04000       45.42687 83.24085       31.90028 33.41958 11.48807 37.24967 8.875857 -3.830086      14.51746 
1 1 1 -16 11 48 f 52.20795 5.015563 142.9422       25.31587 127.4472       38.33914 154.9212       33.71002 46.29420 8.781976 53.10727 6.628770 -6.813065      11.00289 
1 1 1 -16 11 49 o 29.50221 7.877073 51.25844       23.17402 53.77941       35.08796 49.30802       30.86307 29.15948 10.09330 28.26329 9.472006 0.8961830      13.84174 
1 1 1 -16 11 50 o 36.04412 7.056370 73.68722       24.00410 78.50828       36.82669 70.12587       31.65181 34.71609 10.17956 33.47311 9.318592 1.242989       13.80071 
1 1 1 -16 11 51 o 14.82834 6.803941 -9.634976      22.44193 23.37373       34.75858 -33.23196      29.38840 22.96883 9.496850 14.52157 6.992121 8.447259       11.79321 
1 1 1 -16 11 52 o 34.91989 7.192308 69.86500       23.76486 42.27660       35.32180 92.68233       32.12269 26.49462 9.989897 39.18682 8.610246 -12.69220      13.18842 
1 1 1 -16 11 53 o 20.62427 7.977358 20.77467       22.89957 40.34657       34.39293 5.188381       30.69192 25.94860 9.841043 19.24202 8.454072 6.706583       12.97372 
1 1 1 -16 11 54 o 29.09612 8.217391 51.31085       24.42690 51.17508       37.45725 51.41131       32.22081 28.14704 10.35001 28.37498 9.677439 -0.2279358     14.16952 
1 1 1 -16 11 55 o 23.65358 9.731517 28.64665       36.25655 29.12000       50.66978 28.15000       51.90141 25.05868 10.93966 25.05236 11.00071 0.6317139E-02  15.51424 
1 1 1 -16 11 56 o 25.03265 8.983672 38.94217       27.98732 -44.84000      50.15377 76.82991       33.72695 18.31972 8.895912 33.90894 9.682441 -15.58922      13.14865 
1 1 1 -16 11 57 o 16.78235 7.847788 -13.71343      32.05410 -3.663000      53.02851 -19.50000      40.23719 21.50276 10.06772 18.06349 8.552827 3.439266       13.21021 
1 1 1 -16 12 1  o 123.5627 4.680521 750.5424       56.50693 871.9000       90.04380 671.7000       72.57721 132.8546 6.948371 116.6540 6.380449 16.20067       9.433451 
1 1 1 -16 12 2  o 119.6950 3.195046 702.6632       37.39993 636.7898       53.21751 766.9468       52.57139 113.7874 4.788795 124.9496 4.304846 -11.16221      6.439274 
1 1 1 -16 12 3  o 96.11333 4.352281 454.2156       40.83931 541.0000       70.61490 410.6000       50.06063 104.5651 6.938521 91.22325 5.633895 13.34184       8.937777 
1 1 1 -16 12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 12 5  o 15.67894 6.477136 3.300716       16.14956 -33.26950      22.70750 40.73000       22.97266 12.90155 6.195070 28.33448 7.957405 -15.43293      10.08460 
1 1 1 -16 12 6  o 39.16637 5.180130 76.65852       19.37268 69.33752       26.64401 84.87000       28.21791 36.81801 7.643610 40.88260 7.320304 -4.064594      10.58355 
1 1 1 -16 12 7  o 69.94455 3.525475 240.4663       24.05886 236.9000       40.14919 242.4644       30.05209 69.14042 5.991594 70.15184 4.398664 -1.011421      7.432862 
1 1 1 -16 12 8  o 85.22652 3.784708 356.9280       31.49407 333.7739       38.41428 404.4000       55.00439 82.30731 4.788813 90.43137 6.252504 -8.124062      7.875693 
1 1 1 -16 12 9  o 130.8029 4.655384 841.1180       59.50946 0.000000       0.000000 841.1180       59.50946 ?        ?        130.8029 4.655384 ?              ?        
1 1 1 -16 12 10 o 60.02940 3.714942 177.4067       21.72147 157.3000       33.84199 191.4934       28.32629 56.18304 6.260022 62.27319 4.681375 -6.090149      7.816850 
1 1 1 -16 12 11 o 28.49613 6.441708 41.58086       17.54413 82.51000       25.42533 4.380826       24.23941 40.39793 6.661867 19.05419 7.909185 21.34374       10.34097 
1 1 1 -16 12 12 f 76.86001 3.213789 290.1129       24.12486 282.3454       35.02454 297.1249       33.27784 75.66665 4.752926 77.67075 4.395084 -2.004097      6.473567 
1 1 1 -16 12 13 o 101.0360 3.134004 500.9286       30.95683 471.1124       43.81556 530.6472       43.74368 97.82941 4.588433 103.8731 4.311728 -6.043694      6.296404 
1 1 1 -16 12 14 o 105.8219 3.216564 549.5719       33.27893 526.3679       47.60574 571.7480       46.53942 103.3960 4.716225 107.8079 4.419632 -4.411888      6.463429 
1 1 1 -16 12 15 o 173.7063 3.853526 1480.784       65.52094 1463.082       93.39693 1497.938       91.94141 172.3265 5.544212 174.4003 5.392372 -2.073776      7.734078 
1 1 1 -16 12 16 o 145.2532 3.930209 1036.468       55.82750 1169.000       99.90799 976.2979       67.31802 153.7434 6.654682 140.8247 4.891096 12.91872       8.258790 
1 1 1 -16 12 17 o 14.00013 5.809904 2.311790       13.07524 9.714074       16.43976 -10.43201      21.57059 17.47852 6.759553 15.30916 6.883238 2.169355       9.647306 
1 1 1 -16 12 18 o 208.9733 4.999632 2149.223       102.2669 2176.000       176.1428 2135.607       125.6049 208.9544 8.630643 207.9164 6.178651 1.037979       10.61432 
1 1 1 -16 12 19 o 147.9620 4.007553 1076.397       57.98768 1261.000       105.1968 995.8206       69.50018 159.5022 6.753261 142.1282 5.003543 17.37399       8.404878 
1 1 1 -16 12 20 o 36.73684 4.757879 67.53275       16.70742 62.56277       21.47081 75.16130       26.60061 35.01528 6.503839 38.29470 7.363933 -3.279427      9.824838 
1 1 1 -16 12 21 o 146.1148 3.531427 1048.688       50.50690 1082.671       72.41886 1016.504       70.47586 148.1102 5.002466 143.5024 5.025113 4.607849       7.090587 
1 1 1 -16 12 22 o 157.6201 3.662179 1221.183       56.50117 1166.751       78.00360 1281.265       81.95200 153.6465 5.194105 161.0143 5.206675 -7.367798      7.354467 
1 1 1 -16 12 23 o 79.56155 3.096211 311.3309       24.06635 288.9456       32.17642 339.7553       36.25787 76.46263 4.316678 82.90223 4.484870 -6.439598      6.224771 
1 1 1 -16 12 24 o 101.9316 3.150097 511.0200       31.39187 521.7298       44.19395 500.1132       44.59844 102.7553 4.404138 100.5695 4.542236 2.185814       6.326796 
1 1 1 -16 12 25 o 36.83426 4.445570 67.93873       15.70445 44.54428       19.79578 107.6636       25.79570 29.27477 7.002607 46.19974 5.834139 -16.92496      9.114476 
1 1 1 -16 12 26 o 114.3549 3.888803 645.5973       43.46550 631.6000       81.84616 651.0956       51.29689 111.7917 7.523481 114.6500 4.580212 -2.858315      8.808014 
1 1 1 -16 12 27 o 84.32263 3.982332 351.8321       32.77623 352.6000       64.08492 351.5601       38.14237 83.07373 7.979085 84.12359 4.650254 -1.049858      9.235294 
1 1 1 -16 12 28 o 95.19644 3.204961 446.8172       29.82153 475.2609       42.19489 418.4297       42.15317 97.86312 4.416264 91.72524 4.710774 6.137878       6.457149 
1 1 1 -16 12 29 o 67.47435 3.962455 225.9752       26.05514 267.0309       31.48124 136.7000       46.42266 73.24942 4.411219 50.51061 9.742528 22.73881       10.69466 
1 1 1 -16 12 30 o 71.19765 5.658216 255.5502       39.10814 283.9000       63.81604 238.5000       49.49033 73.47118 9.065820 67.99339 7.564026 5.477791       11.80693 
1 1 1 -16 12 31 o 30.79093 7.997374 50.58047       24.31608 56.13000       55.62574 49.26951       27.03605 33.97890 12.59172 30.38171 8.666934 3.597191       15.28618 
1 1 1 -16 12 32 o 17.95613 7.880430 -4.004242      26.60145 0.000000       0.000000 -4.004242      26.60145 ?        ?        17.95613 7.880430 ?              ?        
1 1 1 -16 12 33 o 17.83820 7.895552 -5.935563      27.24209 0.000000       0.000000 -5.935563      27.24209 ?        ?        17.83820 7.895552 ?              ?        
1 1 1 -16 12 34 o 18.04549 6.991768 11.49226       17.61303 12.69387       22.41059 9.550951       28.48518 19.76719 7.818917 20.81750 8.601315 -1.050310      11.62403 
1 1 1 -16 12 35 o 14.52413 6.389045 -3.418674      17.57847 0.6832586      22.46655 -9.894032      28.22761 17.21830 7.400379 17.51937 7.875765 -0.3010674     10.80709 
1 1 1 -16 12 36 o 34.62482 6.029367 62.63968       19.69250 71.76266       25.79297 49.88990       30.49189 36.58121 7.456619 30.22893 9.353224 6.352283       11.96177 
1 1 1 -16 12 37 o 58.47873 4.728069 173.1761       26.83316 171.8155       32.14998 176.3000       48.71495 57.78561 5.760680 56.60097 9.101398 1.184639       10.77130 
1 1 1 -16 12 38 o 51.47349 5.266467 136.0069       26.16077 152.1237       30.98313 95.98000       48.82713 54.13193 5.945165 39.79994 11.73511 14.33199       13.15514 
1 1 1 -16 12 39 o 27.06188 8.472448 40.46419       24.93933 39.83000       29.40381 42.09000       47.07937 27.07867 9.244518 29.10061 11.38661 -2.021940      14.66683 
1 1 1 -16 12 40 o 74.42350 3.998447 279.2811       29.02086 308.4534       40.92999 249.7881       41.15432 77.27421 5.446174 69.00032 6.158028 8.273888       8.220835 
1 1 1 -16 12 41 o 58.17896 4.529462 172.7711       25.59089 218.6184       35.82428 124.9974       36.56920 64.72731 5.712944 47.26978 8.200810 17.45753       9.994550 
1 1 1 -16 12 42 o 16.70110 7.213078 1.704532       21.54497 33.26657       28.96666 -37.37623      32.23275 25.10079 9.121804 15.38809 7.386930 9.712695       11.73772 
1 1 1 -16 12 43 o 18.05317 7.533675 7.779905       22.16176 31.18843       30.85991 -17.14894      31.84628 24.75053 9.336460 17.22132 7.974437 7.529209       12.27848 
1 1 1 -16 12 44 o 18.20362 8.202174 -6.018984      30.81534 -6.018984      30.81534 0.000000       0.000000 18.20362 8.202174 ?        ?        ?              ?        
1 1 1 -16 12 45 o 19.37690 7.841387 13.50440       23.07177 10.47323       32.73340 16.49699       32.52443 20.98417 8.974032 21.93213 9.137492 -0.9479599     12.80730 
1 1 1 -16 12 46 o 27.87804 8.722870 45.92960       26.43935 62.34000       44.14167 36.74833       33.01723 31.16896 11.26983 25.76500 9.670567 5.403961       14.85022 
1 1 1 -16 12 47 o 37.73723 7.238618 80.60606       25.76579 104.8000       44.66028 68.53558       31.54500 39.65473 11.08002 33.28506 9.316340 6.369663       14.47622 
1 1 1 -16 12 48 o 23.45745 8.080381 31.06969       22.47787 28.39780       34.03424 33.13681       29.93571 23.89179 9.574386 24.45020 9.201591 -0.5584164     13.27924 
1 1 1 -16 12 49 o 30.47491 7.808343 54.49939       23.39509 79.35490       36.11686 36.53052       30.70852 35.15534 10.01351 25.25322 9.356171 9.902121       13.70432 
1 1 1 -16 12 50 o 27.22024 8.109472 44.13118       23.21978 -6.579740      34.86762 84.54129       31.12552 18.76560 8.561447 37.36989 8.676267 -18.60429      12.18917 
1 1 1 -16 12 51 o 17.50097 7.451798 6.621933       22.39559 -2.354019      33.91251 13.56416       29.82421 19.02190 8.584635 20.47096 8.652817 -1.449062      12.18881 
1 1 1 -16 12 52 o 17.14088 7.368273 4.971837       22.27874 16.18886       32.96207 -4.462074      30.22885 21.45410 9.083826 17.83789 8.072393 3.616209       12.15234 
1 1 1 -16 12 53 o 33.07650 7.484869 63.97800       23.66556 23.80508       35.17186 97.21162       31.99023 22.92360 9.522325 40.19916 8.401115 -17.27555      12.69856 
1 1 1 -16 12 54 o 39.27119 6.872892 87.57860       25.45734 93.76655       38.26413 82.66447       34.09902 37.58624 10.16000 35.80669 9.552722 1.779541       13.94561 
1 1 1 -16 12 55 o 53.58064 5.240265 153.7870       27.13224 190.4825       40.72236 124.4928       36.38456 57.33644 7.430566 45.13745 8.548079 12.19900       11.32621 
1 1 1 -16 12 56 o 20.69691 8.835089 16.27070       31.62393 0.000000       0.000000 16.27070       31.62393 ?        ?        20.69691 8.835089 ?              ?        
1 1 1 -16 13 1  o 78.93665 3.658522 306.1969       28.19083 254.3288       36.98655 378.1000       43.54793 71.74799 5.304074 87.58341 5.101803 -15.83542      7.359457 
1 1 1 -16 13 2  o 194.2250 4.788965 1852.380       91.04436 1771.133       110.1083 2028.000       161.8839 189.6573 5.938541 202.4184 8.187373 -12.76109      10.11431 
1 1 1 -16 13 3  f 158.1602 4.211600 1228.275       65.14240 1163.188       79.33231 1363.000       114.1375 153.7643 5.278771 166.1391 7.034513 -12.37479      8.794873 
1 1 1 -16 13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 13 5  f 209.9769 4.388091 2163.993       90.18894 2017.986       124.2837 2326.406       131.0803 202.3721 6.281793 217.3267 6.168190 -14.95454      8.803834 
1 1 1 -16 13 6  o 228.3340 5.350732 2562.623       119.5886 2495.000       204.5658 2597.731       147.3994 224.1308 9.344993 229.5517 6.566827 -5.420868      11.42156 
1 1 1 -16 13 7  o 226.2698 5.398473 2516.901       119.5649 2432.644       144.2331 2702.000       213.7788 222.0995 6.642008 233.2153 9.384026 -11.11578      11.49679 
1 1 1 -16 13 8  o 79.19625 4.358168 308.7959       33.65405 0.000000       0.000000 308.7959       33.65405 ?        ?        79.19625 4.358168 ?              ?        
1 1 1 -16 13 9  o 166.2279 4.258029 1357.149       69.22469 1305.000       117.1283 1385.143       85.81645 162.4200 7.386765 167.7838 5.231732 -5.363724      9.051813 
1 1 1 -16 13 10 o 192.9445 4.707125 1828.650       88.89850 1943.000       159.1474 1776.787       107.1786 197.9783 8.230461 189.9281 5.771874 8.050110       10.05261 
1 1 1 -16 13 11 o 250.4146 5.778440 3086.584       141.6369 3540.000       268.0573 2910.965       166.8268 266.3413 10.30155 242.7560 7.028247 23.58533       12.47069 
1 1 1 -16 13 12 o 109.4049 3.216291 587.3806       34.40540 523.1956       48.68162 651.4337       48.63157 103.0675 4.838954 115.0997 4.324250 -12.03226      6.489577 
1 1 1 -16 13 13 o 177.5536 3.918469 1547.204       68.10080 1578.695       99.17701 1519.109       93.67636 178.9912 5.667884 175.6214 5.455989 3.369781       7.867193 
1 1 1 -16 13 14 o 154.4512 3.602750 1170.385       54.46676 1124.205       77.14254 1216.290       76.91325 151.0799 5.224384 157.1929 5.005136 -6.113022      7.235024 
1 1 1 -16 13 15 o 135.0272 3.773768 895.5948       49.82838 1017.000       89.63546 841.2987       59.94398 143.4166 6.401328 130.7348 4.691947 12.68179       7.936709 
1 1 1 -16 13 16 o 78.16831 3.132027 300.1545       23.91566 325.5249       34.58479 276.9055       33.10726 81.27377 4.363386 74.91804 4.535969 6.355728       6.293977 
1 1 1 -16 13 17 o 23.63651 6.171456 28.59411       14.42985 17.32534       19.06141 43.72075       22.08451 20.48329 7.405830 29.16497 7.644593 -8.681679      10.64360 
1 1 1 -16 13 18 o 62.78991 3.411156 194.0744       20.88640 215.6943       30.26093 174.4042       28.86420 66.04092 4.712223 59.30325 5.019604 6.737671       6.884873 
1 1 1 -16 13 19 f 58.86492 3.515581 170.7473       20.16400 178.9504       27.65023 161.4296       29.46900 60.10477 4.738138 56.96965 5.347148 3.135120       7.144365 
1 1 1 -16 13 20 o 60.79814 3.421077 182.1033       20.27701 201.5902       27.77552 159.8671       29.67019 63.83667 4.473459 56.65614 5.416011 7.180531       7.024600 
1 1 1 -16 13 21 o 83.25803 3.493797 341.1987       28.40950 318.8000       42.46541 359.3455       38.22287 80.14284 5.445675 85.27312 4.596348 -5.130287      7.126134 
1 1 1 -16 13 22 o 90.33134 3.173779 401.2838       28.01857 398.1452       39.17787 404.5695       40.08623 89.76389 4.473046 90.47379 4.541056 -0.7098999     6.374114 
1 1 1 -16 13 23 o 69.19317 3.288462 235.8616       22.20842 250.3180       30.50224 219.5520       32.39834 71.10622 4.404074 66.45800 5.017520 4.648224       6.676180 
1 1 1 -16 13 24 o 158.0096 3.664805 1229.305       56.68140 1199.029       79.25460 1261.004       81.09634 155.4900 5.214715 159.4670 5.202426 -3.976944      7.366036 
1 1 1 -16 13 25 o 100.1466 3.127872 493.7133       30.62377 458.9725       41.81774 533.8909       44.97108 96.26711 4.449927 103.8463 4.434422 -7.579193      6.282193 
1 1 1 -16 13 26 o 142.2421 3.487393 996.8828       48.55517 1004.474       68.89643 989.3918       68.44060 142.2162 4.956851 141.1413 4.961689 1.074951       7.013468 
1 1 1 -16 13 27 o 63.23758 3.419482 197.6590       21.08741 202.7608       28.47384 191.4619       31.38202 63.80285 4.589991 61.82753 5.234674 1.975323       6.962028 
1 1 1 -16 13 28 o 55.92640 4.055058 155.5544       22.04754 124.5548       25.14050 258.8000       45.88084 49.72974 5.243618 71.38510 6.642475 -21.65536      8.462742 
1 1 1 -16 13 29 o 91.84013 3.770341 417.8567       33.82166 447.0492       41.65802 361.4000       57.93235 94.75734 4.504273 84.09831 7.104032 10.65903       8.411643 
1 1 1 -16 13 30 o 88.10052 3.277050 383.6386       28.21045 379.4924       38.97498 388.2011       40.88471 87.21514 4.581563 88.14810 4.756123 -0.9329605     6.603894 
1 1 1 -16 13 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 13 32 o 44.98603 7.026896 105.6301       29.93063 0.000000       0.000000 105.6301       29.93063 ?        ?        44.98603 7.026896 ?              ?        
1 1 1 -16 13 33 o 76.18594 4.586442 290.8703       34.04405 341.2000       74.85447 277.7448       38.22632 79.40292 9.841602 74.15044 5.301732 5.252487       11.17880 
1 1 1 -16 13 34 o 19.51990 8.146955 6.799788       25.92246 -14.48000      61.82207 11.33931       28.55386 25.58871 11.56552 21.12889 8.658251 4.459824       14.44738 
1 1 1 -16 13 35 o 43.64646 6.747427 99.88535       27.89774 132.7000       64.40621 92.30670       30.95208 46.67146 13.39723 41.42712 7.921671 5.244339       15.56402 
1 1 1 -16 13 36 o 93.71528 3.488456 436.8141       31.94414 486.3222       46.58281 392.8661       43.88910 98.16114 4.863336 88.06096 5.113750 10.10018       7.057087 
1 1 1 -16 13 37 o 18.76574 7.222845 13.61701       18.70605 10.63241       24.12610 18.11561       29.61984 19.56047 7.980376 22.43649 8.951841 -2.876019      11.99257 
1 1 1 -16 13 38 o 20.16523 7.817271 16.11412       22.02657 17.40860       25.29989 12.06000       44.77328 21.21894 8.333906 24.39736 10.46586 -3.178413      13.37865 
1 1 1 -16 13 39 o 47.84067 5.679058 119.4700       26.07551 124.9259       30.90845 106.0000       48.56553 48.36293 6.709669 41.26239 11.56342 7.100548       13.36908 
1 1 1 -16 13 40 o 47.75827 6.374279 121.2994       29.05453 114.5000       35.58366 134.9000       50.32595 45.14902 8.359655 46.86381 11.13628 -1.714787      13.92482 
1 1 1 -16 13 41 o 43.25318 6.489968 100.4776       26.62989 115.0127       31.22882 61.74000       50.98145 45.89060 7.188058 31.98999 12.01472 13.90061       14.00077 
1 1 1 -16 13 42 o 18.95432 7.571025 13.00682       21.21080 -7.675142      28.36434 39.24424       31.94753 17.35672 7.840423 26.65182 9.594073 -9.295099      12.39026 
1 1 1 -16 13 43 o 23.98084 9.120720 28.63264       29.59374 28.63264       29.59374 0.000000       0.000000 23.98084 9.120720 ?        ?        ?              ?        
1 1 1 -16 13 44 o 18.67920 7.604337 11.53717       21.84897 6.913277       29.87497 16.85433       32.03635 19.82065 8.526491 21.95996 9.102006 -2.139315      12.47187 
1 1 1 -16 13 45 o 29.40705 8.370139 50.76094       25.24399 63.76000       40.45265 42.47019       32.30635 31.66740 10.84233 27.04570 9.658289 4.621696       14.52029 
1 1 1 -16 13 46 o 19.36099 7.915956 13.18636       23.80069 26.90000       37.49002 3.927560       30.80468 24.26033 9.928886 19.39294 8.496468 4.867395       13.06800 
1 1 1 -16 13 47 o 40.62278 6.154978 89.94953       23.70807 77.08558       34.87229 101.0052       32.32856 34.89056 9.806001 41.51238 8.246901 -6.621819      12.81285 
1 1 1 -16 13 48 o 32.01344 7.670114 59.79128       23.71951 4.249227       35.30111 105.5065       32.02637 20.26666 8.978274 42.58092 7.977038 -22.31427      12.01010 
1 1 1 -16 13 49 o 34.61720 7.265885 68.64439       23.83401 104.6522       35.56155 39.27940       32.11421 41.44141 9.023170 25.85241 9.569796 15.58900       13.15289 
1 1 1 -16 13 50 o 27.39408 8.084607 44.76237       23.16541 46.35037       34.56435 43.46738       31.21304 27.35962 9.961077 26.70579 9.498121 0.6538334      13.76362 
1 1 1 -16 13 51 o 21.12280 7.960179 22.85796       22.42004 34.62663       33.34276 13.14559       30.29007 24.83238 9.620304 20.47020 8.689271 4.362179       12.96355 
1 1 1 -16 13 52 o 33.64345 7.346263 65.62532       23.51245 94.02091       34.84817 41.89639       31.85616 38.71488 9.310505 26.22331 9.560535 12.49158       13.34501 
1 1 1 -16 13 53 o 29.90550 8.015496 53.80684       23.93875 84.19541       35.94790 29.59260       32.08882 35.89118 9.907824 23.59499 9.348806 12.29619       13.62223 
1 1 1 -16 13 54 o 40.68316 8.132996 99.25780       31.25414 129.3986       38.55040 41.45000       53.38810 45.76048 8.927281 26.73622 11.44798 19.02427       14.51732 
1 1 1 -16 13 55 o 16.42082 7.481633 -5.604911      26.51288 -5.130000      50.02208 -5.790447      31.26582 21.23735 9.888677 17.62669 8.066610 3.610662       12.76151 
1 1 1 -16 13 56 o 23.58837 8.344449 33.65743       24.06286 11.53755       35.87000 51.75698       32.44695 20.66978 9.108255 27.76263 9.700275 -7.092854      13.30623 
1 1 1 -16 14 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 14 3  o 75.17004 3.677220 277.7891       26.97434 282.6221       37.48725 272.6000       38.84385 75.66908 5.090890 74.27190 5.379537 1.397171       7.406523 
1 1 1 -16 14 4  o 58.59408 3.513606 168.9578       20.05919 113.8643       31.46969 206.6605       26.03324 47.56136 6.966257 64.76413 4.128137 -17.20277      8.097546 
1 1 1 -16 14 5  o 41.70157 5.617289 87.05801       22.34643 99.10207       28.85809 69.02000       35.31635 44.32199 6.874369 36.62926 9.698687 7.692730       11.88787 
1 1 1 -16 14 6  o 94.15605 3.746455 435.5587       34.45935 315.6000       69.16539 475.1662       39.74309 79.27666 9.076733 98.31013 4.139330 -19.03347      9.976027 
1 1 1 -16 14 7  o 84.43197 3.476392 350.1806       28.66896 308.6000       49.31962 371.4008       35.23296 78.87826 6.443982 86.89011 4.154633 -8.011848      7.667195 
1 1 1 -16 14 8  o 100.3583 3.480572 494.5338       34.13910 480.8000       59.16045 501.3903       41.80116 98.60947 6.160008 100.9736 4.238782 -2.364174      7.477498 
1 1 1 -16 14 9  o 106.3034 3.484839 554.8309       36.21169 519.6000       60.84235 574.1564       45.06194 102.5265 6.090104 108.0555 4.268863 -5.528946      7.437241 
1 1 1 -16 14 10 o 11.82498 5.449692 -11.48757      14.61838 1.291044       22.13423 -21.37345      19.46840 17.65112 7.457258 12.79566 6.025293 4.855458       9.587224 
1 1 1 -16 14 11 o 161.0828 3.697517 1273.096       58.29959 1198.108       82.15062 1349.180       82.74879 155.9563 5.389581 165.5602 5.112347 -9.603912      7.428571 
1 1 1 -16 14 12 o 220.0424 5.201683 2381.851       112.0357 2708.000       210.1698 2252.379       132.4190 233.1757 9.226544 213.6217 6.339855 19.55397       11.19477 
1 1 1 -16 14 13 f 37.98032 4.550805 71.89405       16.58172 81.56731       24.82023 64.09643       22.28438 40.14838 6.540811 35.46716 6.663610 4.681229       9.337338 
1 1 1 -16 14 14 o 60.01021 3.410050 177.2500       19.94808 174.3498       29.39292 179.7265       27.16079 59.30524 5.113300 60.28601 4.638410 -0.9807625     6.903671 
1 1 1 -16 14 15 f 15.80320 6.238109 6.849356       14.23808 -0.2078447     19.98406 14.12489       20.29083 16.47779 7.028379 19.94508 7.560091 -3.467297      10.32246 
1 1 1 -16 14 16 o 34.37540 4.889043 59.30583       15.98717 75.79962       23.04543 44.00419       22.19697 38.68851 6.302238 29.25076 7.662553 9.437754       9.921337 
1 1 1 -16 14 17 o 98.56978 3.104222 477.1542       29.91307 475.1998       43.03554 478.9811       41.60754 98.18355 4.489865 98.60009 4.321600 -0.4165421     6.231783 
1 1 1 -16 14 18 o 56.55875 3.500202 157.6837       19.28262 171.2048       27.66127 144.9020       26.89437 58.75795 4.852721 53.97469 5.153029 4.783253       7.078320 
1 1 1 -16 14 19 o 52.92722 3.685956 138.3246       18.97636 124.8463       26.13757 153.3479       27.59496 49.99743 5.427848 55.52204 5.135787 -5.524605      7.472472 
1 1 1 -16 14 20 f 71.83859 3.283605 254.0056       23.02846 253.6690       32.30806 254.3532       32.83261 71.59158 4.635360 71.67627 4.705791 -0.8468628E-01 6.605379 
1 1 1 -16 14 21 o 32.30921 5.215010 52.86612       15.93109 68.92686       20.95157 30.85267       24.52889 36.82683 6.020077 25.38227 8.442974 11.44456       10.36943 
1 1 1 -16 14 22 o 23.07013 6.306726 27.31823       14.64652 39.20737       18.66218 8.250207       23.63414 27.50866 6.934070 19.49838 7.919620 8.010273       10.52624 
1 1 1 -16 14 23 o 119.2048 3.280677 699.3563       38.24284 691.2343       54.03017 707.5105       54.13707 118.1686 4.680454 119.5670 4.634474 -1.398392      6.586729 
1 1 1 -16 14 24 o 73.79671 4.125037 269.6103       29.67831 234.2000       59.69613 281.2359       34.20496 67.17949 9.329732 75.25741 4.666327 -8.077919      10.43161 
1 1 1 -16 14 25 o 75.93334 3.188766 284.2657       23.64795 246.5573       31.72986 331.3825       35.46803 70.41533 4.629245 81.72305 4.450702 -11.30772      6.421733 
1 1 1 -16 14 26 o 86.39444 3.199984 368.0379       27.01399 391.7852       38.53440 345.0891       37.88107 88.83899 4.445502 83.30295 4.664377 5.536041       6.443517 
1 1 1 -16 14 27 o 131.4958 5.126596 862.3097       65.85889 801.3000       96.84402 914.8000       89.82823 125.1275 7.948121 134.4745 6.846969 -9.347084      10.49064 
1 1 1 -16 14 28 o 77.93373 4.500850 302.6680       34.18809 302.6680       34.18809 0.000000       0.000000 77.93373 4.500850 ?        ?        ?              ?        
1 1 1 -16 14 29 o 80.44888 3.307163 320.0107       25.98693 279.2464       34.81996 371.2646       39.04378 74.71838 4.786128 86.24754 4.641968 -11.52916      6.667450 
1 1 1 -16 14 30 o 70.06497 3.673578 243.6482       25.10594 256.1000       36.89664 232.9123       34.26011 71.30199 5.325087 68.03142 5.183886 3.270576       7.431637 
1 1 1 -16 14 31 o 79.80380 3.648774 316.1082       28.42668 380.1000       44.47159 271.8980       36.96422 86.89359 5.253176 73.47590 5.172668 13.41769       7.372405 
1 1 1 -16 14 32 o 29.80286 6.263053 46.66577       17.68908 43.22880       22.73866 51.93384       28.15157 28.41674 7.893565 30.96325 8.847531 -2.546511      11.85695 
1 1 1 -16 14 33 o 16.23876 7.377965 -12.51508      25.55778 1.226000       63.33952 -15.18745      27.93268 27.43573 12.09600 16.73269 7.644998 10.70304       14.30941 
1 1 1 -16 14 34 o 28.02747 8.679945 42.10214       26.25318 6.898000       63.91226 49.24789       28.79460 27.94727 12.24148 30.07222 9.047421 -2.124945      15.22201 
1 1 1 -16 14 35 o 22.29932 8.615286 19.73177       26.68571 64.91000       64.51426 10.40626       29.31078 35.03096 13.43142 21.04376 8.712772 13.98720       16.00986 
1 1 1 -16 14 36 o 18.09177 7.874066 -0.5250120     26.08010 -64.63000      63.75183 12.35938       28.58109 21.76159 10.43124 21.10853 8.657541 0.6530571      13.55595 
1 1 1 -16 14 37 o 54.74319 4.283248 151.4678       22.76881 119.9210       30.25884 192.6444       34.57003 47.59334 6.678856 60.97593 5.864317 -13.38260      8.888044 
1 1 1 -16 14 38 o 14.93066 6.553737 -2.158863      18.40553 -18.87753      22.76851 29.36886       31.26655 14.10428 6.601521 24.79170 9.387499 -10.68742      11.47629 
1 1 1 -16 14 39 f 20.99634 7.521057 21.57827       19.60608 27.47485       25.30302 12.71885       31.01524 23.43109 8.523921 21.40246 8.920383 2.028624       12.33817 
1 1 1 -16 14 40 o 57.35432 5.023316 169.6254       27.91649 174.0584       33.23354 159.0000       51.45221 57.50100 5.992491 51.35724 10.58722 6.143761       12.16549 
1 1 1 -16 14 41 o 21.87210 8.441706 21.45849       25.60240 18.09000       31.26143 28.32000       44.61702 22.23901 9.079993 26.04863 10.76395 -3.809620      14.08222 
1 1 1 -16 14 42 o 19.03623 8.267236 3.366562       28.62038 3.366562       28.62038 0.000000       0.000000 19.03623 8.267236 ?        ?        ?              ?        
1 1 1 -16 14 43 o 32.78569 7.925195 61.69246       25.14929 47.55207       30.08618 94.49000       45.82022 28.39459 9.347024 38.02920 11.40652 -9.634611      14.74705 
1 1 1 -16 14 44 o 25.79376 8.291191 38.14149       23.74847 71.27000       36.19277 13.09325       31.47092 33.74413 10.14134 21.12483 8.906713 12.61930       13.49727 
1 1 1 -16 14 45 o 35.91687 7.343258 72.94069       24.94422 114.3000       39.40067 45.27526       32.22445 43.35643 9.543295 27.59681 9.665210 15.75963       13.58274 
1 1 1 -16 14 46 o 30.14572 7.659982 52.86502       22.64520 56.58465       32.80593 49.47956       31.29757 30.04357 9.752375 28.37809 9.538740 1.665482       13.64171 
1 1 1 -16 14 47 o 32.17980 7.381161 59.69891       22.75397 66.63362       34.26815 54.23044       30.43053 32.24889 9.904457 29.51193 9.374727 2.736967       13.63759 
1 1 1 -16 14 48 o 51.93525 4.967184 141.6183       24.94368 140.8857       36.87489 142.2362       33.86800 49.42102 7.887773 50.40011 7.058431 -0.9790878     10.58482 
1 1 1 -16 14 49 o 23.37631 8.099319 31.11472       22.59610 21.76079       32.68894 39.67406       31.26972 22.38543 9.228190 25.83171 9.463550 -3.446276      13.21810 
1 1 1 -16 14 50 o 17.86999 7.501821 8.861408       22.17366 -7.855499      31.86288 24.55976       30.87693 17.82887 8.153148 22.61141 9.099320 -4.782532      12.21767 
1 1 1 -16 14 51 o 20.02240 7.854441 18.43560       22.44927 21.99326       31.69820 14.85547       31.79815 22.22442 9.116571 21.01032 8.910102 1.214104       12.74762 
1 1 1 -16 14 52 o 29.95081 7.790628 53.47471       23.05248 47.55286       33.45952 58.82559       31.80559 27.39503 9.823804 30.18965 9.583502 -2.794617      13.72409 
1 1 1 -16 14 53 o 26.90456 9.236278 45.22265       29.36099 53.40347       35.93381 28.79000       50.92825 28.54562 10.18697 25.21829 10.98913 3.327333       14.98450 
1 1 1 -16 14 54 o 47.22444 6.515350 125.1418       29.31529 213.3000       55.33522 90.74525       34.56432 56.95527 10.30496 37.46545 9.432752 19.48982       13.97029 
1 1 1 -16 14 55 o 37.30254 7.049755 81.06728       24.79765 70.88702       36.69117 89.62726       33.64486 31.72743 10.31481 37.07276 9.291086 -5.345333      13.88235 
1 1 1 -16 15 1  o 142.8540 4.962442 1004.135       69.28418 968.2000       103.8099 1033.000       93.03798 139.7624 7.617053 144.6022 6.590562 -4.839767      10.07249 
1 1 1 -16 15 2  o 182.4625 5.676714 1639.901       101.2624 1573.000       145.3481 1703.000       141.1572 178.0286 8.364295 185.4212 7.794839 -7.392578      11.43333 
1 1 1 -16 15 3  o 124.9402 3.786083 766.5581       46.24845 749.9000       89.08849 772.7036       54.11101 122.9824 7.435425 125.3646 4.416552 -2.382210      8.648207 
1 1 1 -16 15 4  o 62.29573 5.737660 192.6042       34.59362 192.6042       34.59362 0.000000       0.000000 62.29573 5.737660 ?        ?        ?              ?        
1 1 1 -16 15 5  f 112.1719 4.303954 618.7228       47.16844 0.000000       0.000000 618.7228       47.16844 ?        ?        112.1719 4.303954 ?              ?        
1 1 1 -16 15 6  o 146.8552 3.955790 1059.206       56.81110 1060.000       99.59148 1058.823       69.16893 146.3724 6.971187 146.7037 4.823416 -0.3312683     8.477193 
1 1 1 -16 15 7  o 159.6443 4.169965 1252.108       65.10585 1302.000       115.5549 1228.905       78.80430 162.1650 7.298601 158.0072 5.101954 4.157852       8.905027 
1 1 1 -16 15 8  o 177.2871 4.421561 1543.785       76.72889 1663.000       139.8574 1492.452       91.77325 183.1485 7.819456 174.0810 5.392406 9.067520       9.498523 
1 1 1 -16 15 9  o 95.85587 3.145508 451.0082       29.47319 405.4977       43.89507 488.3706       39.77205 90.68051 4.964269 99.65428 4.085995 -8.973770      6.429566 
1 1 1 -16 15 10 o 107.2598 3.179355 564.6558       33.34284 528.2155       49.51236 594.8950       45.10325 103.5323 4.899652 109.9830 4.197338 -6.450638      6.451685 
1 1 1 -16 15 11 o 153.1828 4.032756 1153.018       60.41435 1212.000       107.7637 1125.984       72.95767 156.4177 7.056676 151.2242 4.935436 5.193512       8.611341 
1 1 1 -16 15 12 o 95.91763 3.117534 451.6794       29.23066 444.7158       44.26003 457.0662       38.92815 94.97449 4.776334 96.37486 4.136242 -1.400360      6.318376 
1 1 1 -16 15 13 o 71.05276 3.247118 248.1750       22.52349 218.9696       33.42368 272.4703       30.48483 66.49279 5.176140 74.35004 4.206018 -7.857254      6.669559 
1 1 1 -16 15 14 o 40.08343 4.336663 79.89072       16.74415 80.08781       25.09205 79.73251       22.48199 39.71817 6.691784 39.76923 5.958647 -0.5105972E-01 8.960215 
1 1 1 -16 15 15 o 44.52233 3.956482 98.15166       17.06285 109.1453       25.16288 88.79371       23.21560 46.71266 5.615739 42.03274 5.796877 4.679924       8.070954 
1 1 1 -16 15 16 o 153.5500 3.603742 1157.937       54.16388 1162.632       78.51524 1153.674       74.81709 153.4789 5.234016 152.9409 5.004447 0.5379486      7.241507 
1 1 1 -16 15 17 o 31.66179 5.346199 50.79659       15.97927 53.98380       22.90848 47.77644       22.30001 32.32725 7.399882 30.40328 7.532428 1.923967       10.55915 
1 1 1 -16 15 18 o 69.51343 3.270679 237.8121       22.19184 221.0036       32.00311 253.3801       30.79948 66.76408 4.931967 71.59820 4.416251 -4.834114      6.620240 
1 1 1 -16 15 19 o 109.0234 3.200297 584.2633       34.11505 583.4966       49.40785 584.9619       47.16237 108.6889 4.654911 108.8714 4.434918 -0.1824951     6.429362 
1 1 1 -16 15 20 o 232.7122 4.798653 2673.486       109.3062 2733.164       158.3407 2619.157       151.0794 234.1128 6.917319 229.2824 6.739069 4.830414       9.657348 
1 1 1 -16 15 21 o 92.72773 3.177779 423.0798       28.80032 392.4665       40.85468 453.3217       40.60607 89.01876 4.705431 95.77021 4.342961 -6.751450      6.403311 
1 1 1 -16 15 22 o 90.47118 3.175498 402.9404       28.07724 424.6614       40.74467 383.2991       38.74516 92.60982 4.508317 87.97183 4.514634 4.637985       6.380191 
1 1 1 -16 15 23 o 33.53027 5.814235 57.48814       18.39117 56.80283       22.06005 59.05000       33.30301 33.06150 7.033152 33.52095 9.637253 -0.4594498     11.93071 
1 1 1 -16 15 24 o 88.54288 3.170211 386.3291       27.43131 332.5045       37.52270 448.1188       40.20334 81.79117 4.706731 95.09660 4.330441 -13.30543      6.395783 
1 1 1 -16 15 25 o 22.46619 6.581457 25.83891       15.40009 24.56769       19.84639 27.76267       24.41449 22.61461 7.595806 24.31334 8.419166 -1.698727      11.33925 
1 1 1 -16 15 26 o 108.2394 4.947863 583.9077       52.28284 590.0000       81.80070 579.7000       67.98076 107.3661 7.837645 107.1461 6.512671 0.2199402      10.19037 
1 1 1 -16 15 27 o 116.4175 4.018847 672.0080       45.72717 721.6000       90.70486 655.1096       52.94783 118.5165 7.863363 114.6581 4.727920 3.858482       9.175277 
1 1 1 -16 15 28 o 58.29350 3.679780 168.7288       20.88942 149.6946       27.98622 192.6747       31.39013 54.46050 5.317634 61.87422 5.231944 -7.413715      7.459924 
1 1 1 -16 15 29 o 73.92461 3.647881 271.0878       26.31434 262.4000       39.24226 278.1861       35.47104 72.07424 5.606540 74.49513 4.891582 -2.420891      7.440488 
1 1 1 -16 15 30 o 113.8973 3.708419 643.4870       41.28849 703.4000       68.52189 609.3336       51.73515 117.8610 5.958877 110.3323 4.801955 7.528694       7.652907 
1 1 1 -16 15 31 o 39.73019 4.777957 80.00952       18.20855 83.63457       23.81488 74.90805       28.25131 40.16173 6.262190 37.36745 7.967397 2.794277       10.13383 
1 1 1 -16 15 32 o 19.29230 6.806599 17.13088       16.00232 25.36650       19.89952 2.058149       26.92097 22.61625 7.606040 18.98758 8.129694 3.628662       11.13300 
1 1 1 -16 15 33 o 41.56294 4.773558 87.69798       19.06813 95.41100       24.84792 76.64942       29.73927 42.91821 6.085253 37.53826 8.313169 5.379944       10.30238 
1 1 1 -16 15 34 o 57.95293 3.974262 168.1213       22.40790 165.0990       30.22301 171.8107       33.39264 56.85526 5.499335 57.78925 5.990104 -0.9339905     8.131668 
1 1 1 -16 15 35 o 21.35417 8.482061 16.03418       26.47693 -10.18000      64.82214 21.28339       29.00697 26.07175 11.80754 23.02166 8.957940 3.050097       14.82102 
1 1 1 -16 15 36 o 102.7507 4.254017 530.9218       42.69235 579.9000       89.22964 516.3810       48.61834 102.8552 8.952001 100.8636 4.939492 1.991653       10.22433 
1 1 1 -16 15 37 f 22.49775 8.663423 21.89590       26.92100 70.24000       62.97239 11.08465       29.77943 34.49873 13.25908 20.95717 8.738297 13.54156       15.87958 
1 1 1 -16 15 38 o 84.89865 4.605964 366.7015       38.13275 246.1000       75.50494 407.9947       44.18125 62.05766 12.85329 89.19993 5.081214 -27.14227      13.82121 
1 1 1 -16 15 39 f 35.33500 6.460948 67.35071       21.52319 88.15656       29.41715 43.38216       31.57394 39.76036 7.837396 27.78314 9.576502 11.97722       12.37474 
1 1 1 -16 15 40 o 48.58742 5.010717 122.1910       23.48894 120.8770       31.47178 123.8433       35.29228 47.13651 7.036284 47.10831 7.935510 0.2819443E-01  10.60573 
1 1 1 -16 15 41 o 19.99094 8.302308 11.52992       26.72843 11.52992       26.72843 0.000000       0.000000 19.99094 8.302308 ?        ?        ?              ?        
1 1 1 -16 15 42 o 29.45105 8.571992 50.57683       26.19858 61.21000       31.96097 28.80000       45.73891 31.88835 9.517612 26.03308 10.84017 5.855261       14.42547 
1 1 1 -16 15 43 o 16.76972 7.721906 -13.40000      29.26075 -13.40000      29.26075 0.000000       0.000000 16.76972 7.721906 ?        ?        ?              ?        
1 1 1 -16 15 44 o 47.29736 6.483343 121.6028       29.22617 114.2000       37.73556 132.7000       46.20194 43.80239 9.098982 45.95982 10.50058 -2.157425      13.89438 
1 1 1 -16 15 45 o 23.13157 8.281281 29.17633       23.76641 17.00966       28.92486 54.46000       41.69707 21.14911 8.695641 29.43542 10.90298 -8.286306      13.94594 
1 1 1 -16 15 46 f 30.93806 7.275987 54.95866       21.66176 57.60312       31.06429 52.45569       30.22180 30.38212 9.447203 29.12286 9.352399 1.259264       13.29350 
1 1 1 -16 15 47 o 24.33276 7.886794 34.27323       21.45981 1.952578       30.59274 65.58299       30.11052 18.87580 8.360313 32.51662 9.102336 -13.64082      12.35910 
1 1 1 -16 15 48 o 20.36683 7.784188 20.15606       21.62324 7.859241       30.88965 31.97169       30.27925 19.79757 8.593372 24.12572 9.213712 -4.328157      12.59915 
1 1 1 -16 15 49 o 17.34447 7.375745 6.562987       21.89219 -20.71067      30.82351 34.32596       31.09879 16.12314 7.588848 24.62766 9.353755 -8.504526      12.04505 
1 1 1 -16 15 50 o 33.46812 7.320006 64.78338       23.31084 86.67794       33.32369 43.80302       32.62056 37.27438 9.192064 26.70245 9.683472 10.57193       13.35154 
1 1 1 -16 15 51 o 24.45342 8.145823 35.20388       22.83096 32.84136       32.07094 37.63142       32.50923 24.28179 9.427309 25.29559 9.573611 -1.013802      13.43608 
1 1 1 -16 15 52 o 23.40397 8.799904 30.77948       27.36561 46.05413       32.94987 -3.182000      49.13166 27.02885 9.741663 21.64334 9.980448 5.385513       13.94666 
1 1 1 -16 15 53 o 30.59360 8.641980 58.54940       27.01370 91.42000       46.15419 41.42159       33.31642 35.17133 11.57694 25.85176 9.711927 9.319561       15.11116 
1 1 1 -16 15 54 o 16.60146 7.332564 1.531960       23.37562 45.83004       34.01468 -38.11129      32.17797 26.53901 9.844278 14.71321 7.140183 11.82579       12.16109 
1 1 1 -16 15 55 o 37.27226 6.824688 80.35027       23.98133 75.22008       34.85704 84.96091       33.04491 33.00824 9.959619 35.93670 9.317439 -2.928455      13.63850 
1 1 1 -16 16 1  o 122.4512 4.806532 738.0909       57.49851 776.3000       90.78697 712.5000       74.29917 125.0898 7.448457 120.0481 6.345526 5.041718       9.784948 
1 1 1 -16 16 2  o 138.5076 4.999556 944.4604       67.67031 916.4000       101.1435 967.2000       91.05074 135.8992 7.634221 139.8492 6.670695 -3.950073      10.13802 
1 1 1 -16 16 3  o 131.7237 4.984083 854.3076       64.14624 796.1000       95.86392 901.5000       86.31810 126.6010 7.773394 135.0284 6.550408 -8.427307      10.16531 
1 1 1 -16 16 4  o 273.3156 7.653399 3698.931       204.5489 0.000000       0.000000 3698.931       204.5489 ?        ?        273.3156 7.653399 ?              ?        
1 1 1 -16 16 5  o 74.53857 3.473235 273.1282       25.27119 248.4000       44.82428 284.6505       30.59752 70.65867 6.555756 76.03000 4.126921 -5.371330      7.746574 
1 1 1 -16 16 6  o 113.5336 3.555025 633.0059       39.45824 649.3000       70.73415 625.6448       47.54295 114.5676 6.332182 112.7798 4.314697 1.787827       7.662451 
1 1 1 -16 16 7  o 60.74949 3.386011 181.5888       20.05466 141.5388       33.16165 204.6820       25.18128 53.16780 6.507582 64.44299 4.011948 -11.27519      7.644890 
1 1 1 -16 16 8  o 102.8736 3.172690 519.5103       31.90939 484.6361       48.26346 546.5927       42.53146 99.13316 4.989902 105.4151 4.129926 -6.281982      6.477300 
1 1 1 -16 16 9  o 94.51922 3.114899 438.6131       28.77906 417.6570       43.83950 454.4831       38.15045 92.01742 4.884815 96.11128 4.064439 -4.093864      6.354611 
1 1 1 -16 16 10 o 147.5826 3.948896 1070.378       56.99369 1122.000       102.0986 1047.011       68.69262 150.4604 6.951310 145.8145 4.819482 4.645874       8.458611 
1 1 1 -16 16 11 o 118.7527 3.255158 692.3665       37.80175 630.0261       54.56520 749.8992       52.41888 113.0384 4.943503 123.4425 4.345050 -10.40401      6.581617 
1 1 1 -16 16 12 o 112.6700 3.164154 623.2601       34.86115 581.1283       50.49701 661.6245       48.18636 108.5712 4.763246 115.9428 4.253150 -7.371605      6.385749 
1 1 1 -16 16 13 o 61.10499 3.305110 183.7715       19.69470 171.1638       29.94175 193.3863       26.14730 58.70294 5.266798 62.56978 4.295351 -3.866840      6.796264 
1 1 1 -16 16 14 o 114.3019 3.196742 641.6581       35.73063 614.4652       51.84378 666.2607       49.31267 111.6134 4.756317 116.3048 4.339272 -4.691368      6.438309 
1 1 1 -16 16 15 o 38.10264 4.469325 72.42176       16.35228 81.82447       24.62723 65.00734       21.86893 40.15723 6.486347 35.69480 6.498502 4.462437       9.181679 
1 1 1 -16 16 16 o 9.676235 4.694808 -23.61091      13.89256 -4.614016      20.62318 -39.39337      18.79756 15.85999 6.950195 10.54099 5.186827 5.319001       8.672277 
1 1 1 -16 16 17 o 152.7809 4.060671 1149.475       60.67196 1247.000       108.8463 1105.515       73.07782 158.1675 7.048266 149.5910 4.997859 8.576431       8.640408 
1 1 1 -16 16 18 o 68.88248 3.262498 233.6230       21.93457 219.5414       31.90618 246.2422       30.20410 66.50688 4.936391 70.55322 4.395472 -4.046333      6.609700 
1 1 1 -16 16 19 o 120.0039 3.293487 708.3530       38.64974 691.3060       56.38217 723.4644       53.08471 118.1947 4.883986 121.0193 4.489128 -2.824646      6.633670 
1 1 1 -16 16 20 o 107.7741 3.238384 571.5537       34.12370 555.6623       49.50602 585.9382       47.10020 105.9247 4.787167 108.8689 4.429148 -2.944267      6.521834 
1 1 1 -16 16 21 o 89.26165 3.186494 392.3254       27.79630 374.1573       39.89458 409.4662       38.75019 86.85416 4.710264 90.95442 4.365294 -4.100258      6.422023 
1 1 1 -16 16 22 o 50.40528 3.863456 126.0248       18.91626 138.2227       26.73812 113.8022       26.76516 52.51372 5.273065 47.45316 5.888620 5.060555       7.904497 
1 1 1 -16 16 23 o 67.01326 3.831949 222.3241       25.03067 199.2823       30.85219 266.7000       42.81550 63.16663 5.031455 72.82715 6.061117 -9.660515      7.877352 
1 1 1 -16 16 24 o 21.54897 6.831776 23.10785       16.16749 -14.76765      21.09592 77.01572       25.16781 14.30497 6.575906 38.56878 6.920878 -24.26381      9.546784 
1 1 1 -16 16 25 o 63.68619 3.943904 201.3334       24.46480 186.5559       30.02956 230.5000       42.18829 61.01124 5.074326 67.39481 6.474845 -6.383564      8.226324 
1 1 1 -16 16 26 o 69.15674 4.369110 238.3081       29.42443 197.5000       62.20518 250.0709       33.39699 60.16846 10.96604 70.70399 4.855136 -10.53553      11.99276 
1 1 1 -16 16 27 o 86.74081 3.336379 372.0142       28.27447 419.4384       41.76329 331.8830       38.41812 91.67419 4.669542 81.46003 4.840025 10.21416       6.725360 
1 1 1 -16 16 28 o 90.00548 3.547636 401.2955       31.19340 371.1000       47.76204 423.7549       41.19183 85.72211 5.725065 92.12794 4.582249 -6.405823      7.333033 
1 1 1 -16 16 29 o 69.47003 3.507401 239.4254       23.77287 190.1536       32.26855 297.9116       35.15665 61.29326 5.434767 77.12183 4.679205 -15.82858      7.171587 
1 1 1 -16 16 30 o 34.16422 5.504838 60.13930       17.78321 66.37117       23.44822 51.70186       27.28386 35.44452 7.007004 30.90689 8.669190 4.537624       11.14688 
1 1 1 -16 16 31 o 29.31089 6.196537 45.17883       17.22121 38.63975       22.46284 54.50198       26.82177 26.95093 7.962949 31.67466 8.482120 -4.723722      11.63421 
1 1 1 -16 16 32 o 54.51402 4.013849 148.7502       21.26764 162.7271       29.25374 133.0813       30.97391 56.55943 5.347587 50.68857 6.384102 5.870853       8.327871 
1 1 1 -16 16 33 o 46.11087 4.460633 107.3644       19.88178 118.9340       26.81783 93.24529       29.62553 48.05872 5.819315 41.78352 7.520106 6.275208       9.508755 
1 1 1 -16 16 34 o 42.17672 4.869976 90.75385       19.73626 115.4179       26.31450 59.04011       29.83916 47.24973 5.812020 32.52098 9.045701 14.72875       10.75194 
1 1 1 -16 16 35 o 17.15745 6.807406 9.520535       17.03579 -3.437487      21.40687 31.90060       28.13290 15.93963 7.029604 25.19306 9.011043 -9.253432      11.42866 
1 1 1 -16 16 36 f 21.65993 7.224764 24.14111       17.95870 2.599073       22.73296 59.90338       29.29039 17.43437 7.467778 32.45033 8.937761 -15.01596      11.64694 
1 1 1 -16 16 37 o 16.49941 7.461785 -8.856449      25.77853 77.58000       63.18658 -26.11596      28.23519 35.18278 13.33985 15.23715 7.199639 19.94562       15.15871 
1 1 1 -16 16 38 o 42.06801 7.318353 96.93629       29.04126 66.07000       63.85405 104.9860       32.60901 33.27982 13.18729 43.40851 7.968163 -10.12868      15.40767 
1 1 1 -16 16 39 o 48.49555 6.447571 125.9049       29.84822 118.7000       63.05740 127.9854       33.88477 41.24237 13.52957 48.26877 7.408118 -7.026394      15.42496 
1 1 1 -16 16 40 f 18.44653 8.460290 -13.21220      34.64497 -34.79000      55.55210 0.5219000      44.31973 21.27842 10.06748 22.26278 9.948832 -0.9843616     14.15392 
1 1 1 -16 16 41 f 16.37084 7.479792 -10.86634      26.73988 -43.16000      53.39343 -0.5529104E-01 30.89321 20.17309 9.636356 19.08148 8.428689 1.091612       12.80243 
1 1 1 -16 16 42 o 18.83101 7.576704 12.78533       21.40408 19.28000       29.13179 5.166296       31.55284 21.84016 8.820908 19.92323 8.666162 1.916933       12.36571 
1 1 1 -16 16 43 o 34.48207 7.375905 67.33195       24.14203 85.54000       35.91138 52.31710       32.61076 37.21777 9.744796 29.31620 9.734531 7.901569       13.77397 
1 1 1 -16 16 44 o 33.53233 9.256549 68.87388       31.37747 68.87388       31.37747 0.000000       0.000000 33.53233 9.256549 ?        ?        ?              ?        
1 1 1 -16 16 45 o 23.44783 8.323101 30.69251       23.95734 49.16124       29.81642 -2.952000      40.24335 28.29767 9.304525 20.44839 9.277759 7.849277       13.13967 
1 1 1 -16 16 46 o 17.95329 7.617276 7.575494       23.25860 18.96553       29.07932 -12.65000      38.74995 21.36936 8.744964 19.01734 8.802711 2.352024       12.40815 
1 1 1 -16 16 47 o 40.36359 6.799900 91.11942       25.91186 79.63162       32.37336 111.6000       43.22554 35.84569 9.185648 41.15979 10.64884 -5.314095      14.06321 
1 1 1 -16 16 48 o 23.78232 8.565090 32.21859       25.46562 26.19219       31.47970 43.63000       43.31827 23.00587 9.211909 27.03587 10.81271 -4.029997      14.20471 
1 1 1 -16 16 49 o 20.33936 7.852798 19.98215       22.16032 18.12515       31.25381 21.85964       31.42576 21.45858 8.950039 22.14909 9.080553 -0.6905079     12.74989 
1 1 1 -16 16 50 o 41.44035 6.082214 94.18655       23.93746 89.40633       33.54692 99.14510       34.16695 37.87024 9.152544 40.18059 8.919937 -2.310352      12.78023 
1 1 1 -16 16 51 o 30.01150 8.713707 56.04055       27.10187 46.59379       32.27927 78.61000       49.89335 27.15387 9.658830 32.54621 11.94898 -5.392342      15.36460 
1 1 1 -16 16 52 o 15.94151 7.098630 -1.438528      22.35437 -1.523190      32.58847 -1.363288      30.72177 18.65022 8.416276 18.23419 8.205099 0.4160290      11.75403 
1 1 1 -16 16 53 o 14.18673 6.621664 -13.73255      22.64686 -4.263448      32.25122 -22.94339      31.80837 18.09440 8.247046 15.96095 7.571105 2.133452       11.19533 
1 1 1 -16 16 54 o 24.62180 8.228935 37.37445       23.29594 61.94101       33.42601 14.17161       32.48501 30.06065 9.849884 20.49328 8.853990 9.567369       13.24437 
1 1 1 -16 17 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 17 2  o 122.5824 4.790898 740.0675       57.37388 774.6000       95.71324 720.7000       71.67942 124.7572 7.878143 120.7319 6.085113 4.025223       9.954583 
1 1 1 -16 17 3  o 60.14999 4.104569 178.5190       24.02145 0.000000       0.000000 178.5190       24.02145 ?        ?        60.14999 4.104569 ?              ?        
1 1 1 -16 17 4  o 160.5077 5.045813 1268.963       79.17599 0.000000       0.000000 1268.963       79.17599 ?        ?        160.5077 5.045813 ?              ?        
1 1 1 -16 17 5  o 53.28048 4.337534 140.4130       22.42575 0.000000       0.000000 140.4130       22.42575 ?        ?        53.28048 4.337534 ?              ?        
1 1 1 -16 17 6  o 135.5581 3.802723 902.9121       50.40770 938.6000       92.01545 887.6097       60.25322 137.6099 6.852886 134.2820 4.590873 3.327866       8.248525 
1 1 1 -16 17 7  o 50.31080 3.668981 124.9086       17.94392 89.06213       30.42680 144.0240       22.21902 41.73736 7.732433 53.97411 4.239661 -12.23674      8.818460 
1 1 1 -16 17 8  o 192.2369 4.689752 1817.842       88.24554 1875.000       157.3331 1791.607       106.5903 194.0202 8.303717 190.5252 5.722049 3.495041       10.08432 
1 1 1 -16 17 9  o 116.4294 3.561651 666.0695       40.54237 668.3000       71.58278 665.0160       49.19290 116.1343 6.320943 116.2274 4.331598 -0.9307098E-01 7.662706 
1 1 1 -16 17 10 o 136.9771 3.418797 920.9416       45.83820 882.7336       66.77876 954.9838       63.03328 133.7713 5.109380 139.2419 4.631254 -5.470535      6.895961 
1 1 1 -16 17 11 o 75.05237 3.140821 276.8669       23.02252 294.7533       36.28466 264.8136       29.78623 77.22409 4.824351 73.27588 4.170085 3.948212       6.376831 
1 1 1 -16 17 12 o 111.2757 3.153145 608.1373       34.30936 594.7135       50.86192 619.3456       46.47572 109.7962 4.743785 112.1392 4.241758 -2.342995      6.363647 
1 1 1 -16 17 13 o 56.04172 3.413797 154.7953       18.63761 150.9512       29.38744 157.3817       24.10557 55.02288 5.531444 56.37992 4.402934 -1.357044      7.069844 
1 1 1 -16 17 14 o 24.64586 6.270127 31.24120       15.16009 32.08416       23.69436 30.65694       19.72618 25.65759 8.284858 24.72653 7.499122 0.9310627      11.17478 
1 1 1 -16 17 15 o 146.6074 3.538337 1056.311       50.77633 1036.250       73.57250 1074.556       70.16572 144.7703 5.200389 147.5178 4.865966 -2.747452      7.121915 
1 1 1 -16 17 16 o 55.45889 3.546641 151.8075       19.15193 141.4009       28.76600 160.0932       25.66785 53.17064 5.611701 56.78970 4.658485 -3.619061      7.293330 
1 1 1 -16 17 17 o 129.7727 3.353281 828.3365       42.55940 853.5460       63.13224 807.3365       57.62080 131.3606 4.918669 127.8324 4.612587 3.528214       6.743090 
1 1 1 -16 17 18 o 115.9717 3.229378 661.6172       36.62302 658.5614       53.65928 664.2820       50.10841 115.3579 4.762403 115.9464 4.423278 -0.5885086     6.499682 
1 1 1 -16 17 19 o 33.06063 5.204120 55.41664       16.28481 40.35006       24.00562 68.26108       22.16476 28.00870 8.220335 36.49146 6.440727 -8.482758      10.44303 
1 1 1 -16 17 20 o 49.19537 3.890278 120.0639       18.58078 115.9014       27.05485 123.7799       25.56295 47.91163 5.892965 49.66622 5.342176 -1.754585      7.953985 
1 1 1 -16 17 21 o 81.23885 3.521594 325.7606       27.93679 346.5000       46.39145 313.9603       34.99327 83.22125 5.730023 79.53394 4.513486 3.687317       7.294157 
1 1 1 -16 17 22 o 72.77348 4.077767 262.5088       28.93085 358.5000       66.27468 239.9106       32.15647 83.60297 8.204324 69.39847 4.762701 14.20451       9.486529 
1 1 1 -16 17 23 f 63.11116 4.018466 197.6937       24.69511 203.7516       31.41763 187.9000       39.94732 63.81490 5.071418 60.72265 6.839795 3.092247       8.514815 
1 1 1 -16 17 24 o 81.91752 3.721869 332.2390       29.76515 322.8739       37.00610 349.4000       50.09437 80.47167 4.718828 83.18036 6.197177 -2.708687      7.789245 
1 1 1 -16 17 25 o 138.0142 4.134676 945.1481       55.79322 854.7000       100.6141 985.3109       67.04579 128.8284 8.018614 140.5426 4.881094 -11.71414      9.387398 
1 1 1 -16 17 26 o 65.46757 3.543178 212.4764       22.62059 195.9828       32.29731 228.3575       31.69198 62.35751 5.342850 67.51629 4.827360 -5.158775      7.200656 
1 1 1 -16 17 27 o 72.78912 4.783948 265.4349       33.89573 0.000000       0.000000 265.4349       33.89573 ?        ?        72.78912 4.783948 ?              ?        
1 1 1 -16 17 28 o 50.99703 4.075892 130.0025       20.17653 108.5255       27.80589 153.8860       29.32232 45.85940 6.365866 55.05951 5.514915 -9.200111      8.422502 
1 1 1 -16 17 29 o 56.74440 3.848384 160.5573       21.24861 152.2470       29.60619 169.3853       30.51454 54.68344 5.610703 57.76295 5.461851 -3.079510      7.830185 
1 1 1 -16 17 30 o 47.89283 4.316071 115.2465       20.01638 85.30824       27.08265 151.2874       29.71498 40.20883 7.142870 54.45803 5.656840 -14.24920      9.111555 
1 1 1 -16 17 31 o 46.88929 4.427136 110.8071       20.07847 102.7096       27.97150 119.4146       28.83885 44.33784 6.650032 48.01961 6.286349 -3.681770      9.151016 
1 1 1 -16 17 32 o 33.46957 5.811443 58.40106       18.34854 69.52705       24.86127 45.09049       27.19269 36.03954 7.298110 28.84051 8.816369 7.199026       11.44512 
1 1 1 -16 17 33 o 100.1895 3.382618 498.8987       33.12517 496.4924       47.44567 501.1870       46.26862 99.11747 4.905595 99.68031 4.755821 -0.5628357     6.832474 
1 1 1 -16 17 34 o 75.11342 3.586485 281.6723       26.29277 323.7696       38.33419 244.2755       36.13074 79.86069 4.927965 69.08379 5.385640 10.77690       7.299997 
1 1 1 -16 17 35 o 37.08885 5.501457 71.73410       19.36780 77.35223       25.86961 64.56903       29.21487 37.74585 7.265529 33.76279 8.764400 3.983063       11.38431 
1 1 1 -16 17 36 o 41.46539 5.089931 88.98152       20.22590 96.91328       27.18876 79.15308       30.26544 42.46888 6.767447 37.39201 8.466697 5.076870       10.83897 
1 1 1 -16 17 37 f 46.15644 4.722078 109.4026       21.03362 108.2060       28.49292 110.8356       31.18051 44.88810 6.688772 45.06248 7.320036 -0.1743813     9.915775 
1 1 1 -16 17 38 o 15.96617 6.830284 2.435823       18.97365 -25.98712      24.37096 46.17380       30.23204 13.81099 6.572962 28.34386 9.371394 -14.53287      11.44670 
1 1 1 -16 17 39 o 30.90095 10.04070 57.29519       34.76957 195.5000       61.92067 -6.348000      42.01941 55.51023 11.76217 21.03111 9.517420 34.47912       15.13043 
1 1 1 -16 17 40 o 23.05584 8.732719 26.01887       27.06156 44.69000       54.48106 19.90337       31.18001 29.19875 11.96181 22.45491 9.105267 6.743841       15.03299 
1 1 1 -16 17 41 o 32.20900 9.548183 63.01026       32.25303 0.000000       0.000000 63.01026       32.25303 ?        ?        32.20900 9.548183 ?              ?        
1 1 1 -16 17 42 o 17.45183 7.776737 -2.706115      26.87883 2.489000       57.33987 -4.169177      30.42920 24.30956 11.04730 18.24314 8.191090 6.066420       13.75270 
1 1 1 -16 17 43 o 25.22598 8.924425 36.04469       27.52448 -47.15000      55.50836 63.17008       31.69557 20.03140 9.636007 32.06147 9.455260 -12.03007      13.50017 
1 1 1 -16 17 44 o 25.85959 9.365809 38.92582       30.50265 0.000000       0.000000 38.92582       30.50265 ?        ?        25.85959 9.365809 ?              ?        
1 1 1 -16 17 45 o 26.91261 8.362390 43.20936       24.34454 38.68428       29.08405 53.80000       44.49415 25.64330 9.163240 29.00885 11.14624 -3.365547      14.42926 
1 1 1 -16 17 46 o 13.30697 6.223560 -14.68198      20.17144 -3.696412      28.04862 -26.44983      29.03013 17.40210 7.834535 15.04319 7.163460 2.358906       10.61579 
1 1 1 -16 17 47 o 38.95852 7.052591 86.11237       25.90426 88.01710       32.20263 82.62000       43.60485 37.93954 8.836616 34.42783 11.24824 3.511711       14.30415 
1 1 1 -16 17 48 o 20.07802 8.088061 17.15166       24.42212 9.724846       30.46785 30.50000       40.84644 19.91286 8.588810 24.70489 10.26198 -4.792025      13.38192 
1 1 1 -16 17 49 o 15.45841 7.076726 -8.708567      24.09023 -0.2718026     29.88923 -24.35000      40.69725 18.26944 8.166807 18.22256 8.620251 0.4687691E-01  11.87457 
1 1 1 -16 17 50 o 29.93827 9.580047 57.85578       31.73160 57.85578       31.73160 0.000000       0.000000 29.93827 9.580047 ?        ?        ?              ?        
1 1 1 -16 17 51 o 21.36583 8.356693 22.86940       25.34915 -1.686894      31.63525 66.92000       42.37071 18.41360 8.302449 30.91205 11.05838 -12.49845      13.82818 
1 1 1 -16 17 52 o 26.60552 9.348266 44.94668       30.16186 6.881000       42.00360 85.47000       43.33834 21.33487 9.597758 34.30901 11.21409 -12.97414      14.76052 
1 1 1 -16 17 53 o 40.23336 6.189752 90.60703       23.59611 107.1548       34.08889 75.38521       32.69463 41.44908 8.680802 33.71187 9.501988 7.737206       12.87028 
1 1 1 -16 17 54 f 15.66513 6.987782 -0.7164503     21.76008 39.81502       31.54271 -37.52152      30.05776 25.01136 9.438227 14.07050 6.844926 10.94087       11.65904 
1 1 1 -16 18 1  o 98.81757 4.226241 480.7940       40.78407 405.5000       60.14125 544.9000       55.49346 90.27193 6.857646 105.0157 5.416910 -14.74375      8.739006 
1 1 1 -16 18 2  o 86.67539 4.086919 369.9460       34.57588 324.2000       52.57922 404.8000       45.89490 80.68821 6.718193 90.50879 5.202367 -9.820580      8.496984 
1 1 1 -16 18 3  o 130.3014 3.759502 834.4452       47.89955 802.4000       84.76736 849.4771       58.05707 127.1573 6.835661 131.3484 4.522435 -4.191177      8.196260 
1 1 1 -16 18 4  o 80.35950 3.675801 317.7357       28.83658 178.5000       67.10983 349.2650       31.93507 58.35958 12.14387 84.23507 3.883640 -25.87549      12.74975 
1 1 1 -16 18 5  o 138.8729 4.640946 949.9089       62.99697 0.000000       0.000000 949.9089       62.99697 ?        ?        138.8729 4.640946 ?              ?        
1 1 1 -16 18 6  o 89.34021 3.649923 392.5879       31.85088 290.8000       69.54597 419.6045       35.82933 75.64912 9.608566 92.32638 3.973972 -16.67726      10.39793 
1 1 1 -16 18 7  o 99.58752 4.104080 488.3098       39.92044 0.000000       0.000000 488.3098       39.92044 ?        ?        99.58752 4.104080 ?              ?        
1 1 1 -16 18 8  o 180.8857 4.494275 1609.963       79.57378 1779.000       148.0338 1541.272       94.36674 188.8801 8.025267 176.6768 5.463306 12.20331       9.708379 
1 1 1 -16 18 9  o 165.3807 4.249892 1346.133       68.73992 1371.000       121.9858 1334.563       83.20906 165.9144 7.531005 164.4454 5.175876 1.468994       9.138147 
1 1 1 -16 18 10 o 98.76447 3.102769 479.1903       29.95831 497.3800       46.30225 466.0923       39.29081 100.3783 4.725820 97.26164 4.136528 3.116638       6.280465 
1 1 1 -16 18 11 o 104.2242 3.129688 533.6979       31.89212 530.8872       48.39271 535.8560       42.40303 103.6823 4.781233 104.2803 4.162572 -0.5980148     6.339338 
1 1 1 -16 18 12 o 41.28161 4.060702 84.64278       16.19616 82.86263       26.41117 85.71568       20.50398 40.28880 6.948168 41.35807 5.178079 -1.069271      8.665422 
1 1 1 -16 18 13 o 65.18869 3.278614 209.2612       20.85318 214.8155       33.14363 205.6217       26.82900 65.75175 5.191858 64.47915 4.275021 1.272606       6.725414 
1 1 1 -16 18 14 o 64.76589 3.272794 206.5994       20.68051 187.1298       31.78246 220.8958       27.23470 61.29480 5.350930 66.84438 4.183449 -5.549580      6.792180 
1 1 1 -16 18 15 o 171.1711 3.836725 1442.126       64.28316 1443.857       92.97594 1440.541       88.97614 170.6506 5.573647 170.5458 5.336558 0.1048737      7.716501 
1 1 1 -16 18 16 o 123.7602 3.287444 753.5211       39.78879 767.1827       59.04786 742.1587       53.85032 124.4990 4.854734 122.5464 4.496957 1.952606       6.617482 
1 1 1 -16 18 17 o 109.1381 3.200816 586.1298       34.15653 577.3567       50.62107 593.4626       46.27961 107.9513 4.802705 109.5751 4.323395 -1.623802      6.462021 
1 1 1 -16 18 18 o 21.92718 6.455164 24.42419       14.78380 35.70832       22.50904 15.86362       19.60534 26.46627 8.007255 20.07409 7.468506 6.392178       10.94964 
1 1 1 -16 18 19 o 68.13323 3.296696 229.0101       21.92064 230.2669       32.72978 227.9878       29.51917 67.98429 4.952415 67.75481 4.476079 0.2294846      6.675455 
1 1 1 -16 18 20 o 34.60317 5.071707 60.65583       16.66839 52.88741       24.84434 67.01501       22.47820 31.69960 8.006155 36.02999 6.617479 -4.330393      10.38699 
1 1 1 -16 18 21 o 82.27215 3.223553 333.8550       25.90911 354.5133       38.49677 316.7498       35.03012 84.42799 4.676616 79.83860 4.500748 4.589386       6.490568 
1 1 1 -16 18 22 o 78.72334 3.706707 306.7164       28.48241 281.2409       35.71894 351.2000       47.19957 75.06440 4.887950 83.59848 5.804149 -8.534081      7.588162 
1 1 1 -16 18 23 o 31.89863 6.477494 53.01751       19.53358 60.96393       24.59419 39.44000       32.14821 33.97488 7.587427 28.25613 9.665816 5.718756       12.28808 
1 1 1 -16 18 24 o 59.60676 3.607111 176.2642       20.94710 173.3023       30.21203 179.0061       29.06839 58.64066 5.321383 59.69817 5.021040 -1.057518      7.316281 
1 1 1 -16 18 25 o 56.21990 3.976667 157.4427       21.74222 159.5000       33.74287 155.9822       28.43120 55.87584 6.278006 55.58723 5.288992 0.2886162      8.208946 
1 1 1 -16 18 26 o 20.41227 7.038405 19.68353       17.05601 1.507000       24.65726 36.36009       23.61797 18.23431 7.793126 26.43449 8.240272 -8.200182      11.34173 
1 1 1 -16 18 27 o 52.53602 3.926023 137.7441       20.04307 96.79906       27.62491 183.2564       29.12490 43.11227 6.769028 60.30939 4.977996 -17.19712      8.402391 
1 1 1 -16 18 28 o 49.20901 4.142943 121.3186       19.77021 77.78562       27.32945 169.1095       28.63481 38.22263 7.572569 57.83572 5.110689 -19.61309      9.135806 
1 1 1 -16 18 29 o 30.93650 6.152308 50.19421       17.97410 21.39860       24.49374 83.79404       26.45821 22.34719 8.341237 39.87472 7.035972 -17.52753      10.91243 
1 1 1 -16 18 30 o 25.66830 6.830832 35.08641       17.46279 21.35801       23.56116 51.82024       26.01265 22.08924 8.193224 30.83241 8.395050 -8.743166      11.73055 
1 1 1 -16 18 31 o 40.82639 5.710459 86.09164       22.19681 70.28869       26.90134 119.8000       39.28925 36.02148 7.851809 46.76647 8.908079 -10.74500      11.87454 
1 1 1 -16 18 32 o 17.76412 6.928861 11.14534       17.38770 3.185019       23.27174 21.20488       26.16088 17.87041 7.602180 22.45920 8.567402 -4.588787      11.45397 
1 1 1 -16 18 33 o 23.10819 7.168084 28.22987       17.89590 3.639446       23.96957 59.20164       26.90049 18.11327 7.710748 32.62302 8.380342 -14.50976      11.38797 
1 1 1 -16 18 34 o 38.02579 5.471543 75.28639       19.77994 67.96085       27.35539 83.31305       28.63455 34.92244 8.151719 38.94721 7.783556 -4.024769      11.27095 
1 1 1 -16 18 35 o 38.03220 5.551102 75.76097       20.05613 68.86639       27.36758 83.75938       29.47706 35.00642 8.141299 38.75636 8.034286 -3.749943      11.43812 
1 1 1 -16 18 36 f 22.37293 7.432732 26.43972       19.01142 -18.57327      25.93206 78.74604       27.95408 15.25271 7.108049 37.54280 7.859497 -22.29009      10.59698 
1 1 1 -16 18 37 o 39.56777 6.395008 84.13338       23.92345 109.0704       28.17937 19.77000       45.27181 45.03506 6.587367 24.99046 10.61611 20.04460       12.49380 
1 1 1 -16 18 38 o 22.96987 9.363924 20.36939       33.18478 -59.54000      56.99148 61.36000       40.81814 19.93485 9.632893 31.67362 10.88967 -11.73877      14.53883 
1 1 1 -16 18 39 o 70.06907 3.802461 248.1021       25.98167 262.6529       36.22702 232.6906       37.28298 71.11149 5.241425 66.49763 5.785467 4.613853       7.806674 
1 1 1 -16 18 40 o 26.62456 7.691340 40.33162       21.16428 48.14000       29.20462 31.69524       30.71403 28.56509 9.195595 24.67742 9.313155 3.887676       13.08793 
1 1 1 -16 18 41 o 32.93452 6.617660 59.89438       20.59244 65.90092       27.15182 51.76127       31.59473 33.58066 8.306813 29.28741 9.575057 4.293247       12.67615 
1 1 1 -16 18 42 o 13.84788 6.342680 -9.435177      19.38482 1.336712       25.50796 -24.16050      29.82375 17.64500 7.731092 15.67268 7.403610 1.972326       10.70436 
1 1 1 -16 18 43 o 46.81310 6.484720 120.0296       28.91724 41.63000       57.97523 145.9941       33.36380 28.11830 11.98160 51.43178 6.793265 -23.31348      13.77342 
1 1 1 -16 18 44 o 19.63371 8.120536 13.44379       25.42525 1.943000       54.12448 16.70028       28.80079 23.26054 10.63296 20.92561 8.647683 2.334936       13.70555 
1 1 1 -16 18 45 o 28.86710 9.334446 52.11860       30.07154 0.000000       0.000000 52.11860       30.07154 ?        ?        28.86710 9.334446 ?              ?        
1 1 1 -16 18 46 o 43.40018 8.933669 114.3631       36.68579 93.09000       55.56697 130.8000       48.84391 35.10541 12.65095 43.82315 11.31051 -8.717743      16.96980 
1 1 1 -16 18 47 o 41.87637 7.020028 99.25235       27.75749 134.7000       55.44526 87.39679       32.06503 42.64233 12.48687 37.75969 8.833528 4.882637       15.29553 
1 1 1 -16 18 48 o 47.39003 6.441040 124.3532       29.10521 100.4000       55.16410 133.5933       34.26214 36.04977 12.64431 48.19331 7.507574 -12.14354      14.70518 
1 1 1 -16 18 49 f 16.99739 7.584786 -1.233544      25.66112 -4.612240      30.67737 6.639000       46.82752 17.86247 8.102858 22.32849 10.08131 -4.466021      12.93403 
1 1 1 -16 18 50 o 20.89632 7.852072 22.86233       21.78058 -9.117089      31.04559 53.85899       30.56483 17.33340 7.971436 28.94727 9.414620 -11.61388      12.33608 
1 1 1 -16 18 51 o 18.77780 8.216258 6.055789       28.72337 -0.4377000     39.98428 12.98000       41.28910 20.22633 9.204752 22.01678 9.733870 -1.790455      13.39685 
1 1 1 -16 18 52 f 27.74802 8.804420 49.02168       26.84719 52.05562       34.40794 44.30000       42.92434 27.89215 9.966707 26.36220 10.68563 1.529955       14.61225 
1 1 1 -16 18 53 o 49.01125 6.174744 134.5067       28.96639 145.7935       37.19010 117.1000       46.18508 49.07368 8.019038 39.65947 11.33239 9.414207       13.88265 
1 1 1 -16 19 1  o 168.6190 5.353965 1403.862       88.25462 1483.000       131.4990 1339.000       119.0493 172.4653 7.809855 164.0037 7.435292 8.461578       10.78320 
1 1 1 -16 19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 19 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 19 4  o 50.66092 4.074651 127.0003       20.03522 126.7225       30.97896 127.2000       26.26834 50.19395 6.454581 50.49332 5.398540 -0.2993660     8.414621 
1 1 1 -16 19 5  o 96.06721 4.053971 454.6054       38.03512 0.000000       0.000000 454.6054       38.03512 ?        ?        96.06721 4.053971 ?              ?        
1 1 1 -16 19 6  o 93.89861 3.573011 433.7591       32.77982 367.3000       67.67408 454.1318       37.46870 85.42020 8.194231 96.02014 3.995305 -10.59995      9.116352 
1 1 1 -16 19 7  o 44.03570 4.419281 96.40971       18.79138 75.50000       51.09320 99.68053       20.20774 38.50811 12.13681 44.74163 4.683549 -6.233517      13.00914 
1 1 1 -16 19 8  o 58.19704 3.831866 167.2378       21.70673 226.7000       57.18027 157.2258       23.46311 66.66135 8.992395 56.35627 4.285541 10.30509       9.961377 
1 1 1 -16 19 9  o 93.28461 3.066880 427.6594       27.96548 398.0205       42.64541 450.0214       37.04219 89.70267 4.875240 95.56353 3.968665 -5.860855      6.286356 
1 1 1 -16 19 10 o 52.33342 3.549651 135.2265       18.07562 124.4905       30.35747 141.1234       22.49862 49.69999 6.387794 53.35350 4.345714 -3.653511      7.725874 
1 1 1 -16 19 11 o 94.21777 3.119285 436.4265       28.72731 428.8568       44.41671 441.8702       37.66594 93.08894 4.891803 94.65372 4.074962 -1.564781      6.366714 
1 1 1 -16 19 12 o 57.61101 3.366790 163.6791       18.90301 178.0732       30.86564 155.0400       23.91194 59.77190 5.331510 55.91087 4.404859 3.861031       6.915763 
1 1 1 -16 19 13 o 60.11859 3.333803 178.2108       19.54119 182.2505       31.23128 175.6118       25.05058 60.45390 5.332486 59.52523 4.329014 0.9286690      6.868462 
1 1 1 -16 19 14 o 44.15453 3.914828 96.77752       16.74459 61.04891       26.84023 119.5440       21.42526 34.17778 8.139996 49.00793 4.517151 -14.83014      9.309361 
1 1 1 -16 19 15 o 154.2932 3.625659 1172.102       54.75703 1176.990       80.07852 1167.809       75.04279 153.9982 5.320432 153.5198 5.000554 0.4783936      7.301544 
1 1 1 -16 19 16 o 49.61200 3.715493 121.9380       17.91197 123.5914       27.78933 120.7629       23.42808 49.51525 5.846272 49.14412 4.937153 0.3711357      7.652082 
1 1 1 -16 19 17 o 104.2868 3.178879 535.5641       32.41171 577.9089       49.85098 504.5562       42.65894 107.9382 4.729857 100.9539 4.327022 6.984245       6.410512 
1 1 1 -16 19 18 o 24.65364 6.273444 31.55328       15.17387 58.81776       23.97555 13.33537       19.59834 33.51869 7.495810 19.34736 7.406734 14.17133       10.53788 
1 1 1 -16 19 19 o 107.4098 3.222805 568.6349       33.84484 571.0622       50.38443 566.6391       45.68725 107.1763 4.815060 106.9045 4.375336 0.2718048      6.506025 
1 1 1 -16 19 20 o 73.34819 3.275350 265.6226       23.45613 270.5852       35.07825 261.6091       31.54614 73.63951 4.894322 72.51945 4.465778 1.120056       6.625524 
1 1 1 -16 19 21 o 84.77774 3.715880 355.7800       30.76051 360.0822       39.93014 349.5000       48.24335 84.96381 4.821104 83.29089 5.956766 1.672928       7.663295 
1 1 1 -16 19 22 o 44.31441 4.876382 98.94344       20.80270 94.09022       26.59056 106.6000       33.39872 42.71023 6.570745 45.06567 7.856928 -2.355438      10.24236 
1 1 1 -16 19 23 o 128.5612 3.426352 817.0311       43.07851 813.5799       62.77353 820.1032       59.22559 127.5555 5.037626 128.2293 4.726719 -0.6737137     6.907934 
1 1 1 -16 19 24 o 96.04377 4.462048 459.9748       41.83320 0.000000       0.000000 459.9748       41.83320 ?        ?        96.04377 4.462048 ?              ?        
1 1 1 -16 19 25 o 49.02490 4.367669 120.5348       20.73988 56.92000       30.47727 175.4019       28.30435 32.40083 9.188457 59.02858 4.944123 -26.62775      10.43418 
1 1 1 -16 19 26 o 131.5912 3.477728 857.7676       44.75565 769.1653       62.39811 951.6479       64.22974 123.7107 5.164330 137.8911 4.765923 -14.18038      7.027398 
1 1 1 -16 19 27 o 94.47090 4.008636 444.5738       36.98389 307.4000       72.36952 493.0621       43.02676 75.04419 10.10906 99.30421 4.437754 -24.26003      11.04023 
1 1 1 -16 19 28 o 47.04369 4.241803 111.1744       19.32293 88.73926       27.24351 133.8859       27.41076 41.04856 7.033368 51.21821 5.556431 -10.16965      8.963381 
1 1 1 -16 19 29 o 49.83317 4.104440 124.6056       19.84335 89.53932       27.93670 160.3118       28.19048 41.09684 7.207485 56.18023 5.184864 -15.08339      8.878663 
1 1 1 -16 19 30 o 20.24354 7.044991 19.58629       17.10517 7.553027       23.14082 34.08041       25.39703 18.74274 7.749123 25.67072 8.592231 -6.927971      11.57045 
1 1 1 -16 19 31 o 28.85126 6.472333 44.43180       17.82715 21.79765       24.05232 72.02334       26.55601 22.16989 8.267582 36.43285 7.688671 -14.26296      11.29020 
1 1 1 -16 19 32 o 44.86024 4.616854 102.3882       19.98369 95.30444       27.79986 109.9625       28.74630 42.27625 6.959991 45.63516 6.629171 -3.358913      9.611835 
1 1 1 -16 19 33 o 27.35052 6.900319 40.72222       18.46927 42.71656       25.95211 38.67558       26.29016 27.76448 8.635201 26.65150 8.735604 1.112976       12.28322 
1 1 1 -16 19 34 o 13.33794 6.070192 -8.565279      17.39116 3.070845       23.36525 -23.01960      26.04144 17.65446 7.566665 14.81815 6.974848 2.836309       10.29091 
1 1 1 -16 19 35 o 16.34947 6.813361 5.454766       18.09008 3.016285       24.49907 8.378326       26.82538 17.93441 7.718265 19.56144 8.233945 -1.627026      11.28581 
1 1 1 -16 19 36 o 17.40677 7.340294 5.539179       21.38040 15.84543       24.98262 -22.67000      41.33166 20.53406 8.211739 19.27318 8.979012 1.260885       12.16780 
1 1 1 -16 19 37 o 27.54761 9.512461 43.27956       31.15819 24.90000       54.92722 52.00000       37.83462 26.84542 11.55506 29.68319 10.46664 -2.837765      15.59070 
1 1 1 -16 19 38 o 19.28600 7.287114 16.68037       18.81695 26.34316       24.65170 3.190650       29.12709 22.80725 8.394759 19.11481 8.320303 3.692442       11.81945 
1 1 1 -16 19 39 o 24.63023 7.659050 34.02850       20.41732 16.57000       28.33871 52.87257       29.44177 21.20574 8.650040 29.81264 9.184921 -8.606901      12.61689 
1 1 1 -16 19 40 o 33.84377 6.447495 62.82905       20.57907 55.98626       27.22891 71.94441       31.42682 30.73171 8.674728 34.55911 9.148326 -3.827398      12.60725 
1 1 1 -16 19 41 o 30.51213 6.986546 52.45155       20.41548 55.09175       26.98574 48.91824       31.21821 30.38410 8.656005 28.45314 9.526215 1.930960       12.87149 
1 1 1 -16 19 42 o 22.67405 7.614117 28.54894       19.94227 25.50898       26.29060 32.66808       30.60342 22.47401 8.584819 24.52468 9.287184 -2.050674      12.64717 
1 1 1 -16 19 43 o 28.01675 7.430340 45.61213       20.70711 63.18160       28.54151 26.08683       30.08822 32.12914 8.812265 22.92844 9.062795 9.200695       12.64082 
1 1 1 -16 19 44 o 24.63410 7.679660 35.32773       20.51324 15.49486       28.52831 56.55931       29.51715 20.57404 8.563602 30.08073 9.183511 -9.506695      12.55676 
1 1 1 -16 19 45 o 18.43384 7.394801 13.38182       20.32424 7.388738       28.09748 19.95894       29.43476 19.07919 8.238682 21.56927 8.809135 -2.490088      12.06137 
1 1 1 -16 19 46 o 36.37638 7.125995 75.73189       24.46495 90.23000       38.38946 65.81708       31.74670 36.95013 10.25361 32.09562 9.462240 4.854515       13.95244 
1 1 1 -16 19 47 o 19.22945 8.082055 11.76059       25.78375 -4.074601      31.29434 45.23000       45.49652 18.09110 8.197560 27.21021 11.01137 -9.119102      13.72772 
1 1 1 -16 19 48 o 38.31137 9.567128 93.72160       35.76661 49.43000       51.36836 135.4000       49.82997 27.99479 11.55711 44.03360 11.45419 -16.03880      16.27161 
1 1 1 -16 19 49 o 26.44419 8.763582 43.17500       26.43318 73.87000       51.03339 31.92083       30.90134 31.51802 11.97962 23.85279 9.255732 7.665236       15.13869 
1 1 1 -16 19 50 o 20.71614 8.697037 16.29343       29.80422 0.000000       0.000000 16.29343       29.80422 ?        ?        20.71614 8.697037 ?              ?        
1 1 1 -16 19 51 o 21.54370 8.516049 23.79762       26.56906 -7.932000      50.90315 35.67871       31.14874 21.18804 9.901965 24.43594 9.341897 -3.247900      13.61323 
1 1 1 -16 19 52 o 26.32498 8.696668 44.12034       26.03712 4.963000       48.46239 60.00976       30.87111 21.75633 9.988601 29.95426 9.433157 -8.197929      13.73887 
1 1 1 -16 19 53 o 18.29358 7.855422 9.572359       25.27132 43.82000       48.21272 -3.401633      29.67448 25.95449 10.98755 17.35860 7.911317 8.595886       13.53939 
1 1 1 -16 20 1  o 74.26910 4.429301 272.6439       32.05326 270.6000       49.69458 274.1000       41.94475 73.45234 6.996297 74.20394 5.821476 -0.7516022     9.101524 
1 1 1 -16 20 2  o 73.94115 4.831691 270.7613       34.77811 314.6000       61.44791 250.1000       42.18489 78.94817 8.064853 70.78841 6.149140 8.159760       10.14168 
1 1 1 -16 20 3  o 38.17538 5.991779 73.85107       21.65308 43.51772       28.75154 113.6000       32.91270 29.39973 9.079937 47.22441 7.360004 -17.82468      11.68824 
1 1 1 -16 20 4  o 106.2742 3.502441 555.6363       36.38408 439.2000       63.36434 612.9105       44.44064 93.72417 6.956563 111.5221 4.077979 -17.79794      8.063725 
1 1 1 -16 20 5  o 90.67805 3.408899 404.5889       30.20290 359.1000       55.13867 424.0883       36.10049 84.75577 6.700796 92.75051 3.985707 -7.994743      7.796571 
1 1 1 -16 20 6  o 56.92245 3.920202 160.1734       21.70891 130.7300       32.31155 184.4000       29.30959 50.88131 6.646472 60.92448 4.957679 -10.04318      8.291814 
1 1 1 -16 20 7  o 102.5929 3.666046 518.2546       36.75552 377.6000       71.47497 568.8226       42.85637 86.31741 8.572763 107.4110 4.083683 -21.09361      9.495722 
1 1 1 -16 20 8  o 67.92001 3.746291 227.6271       24.80962 169.4000       60.26937 239.5068       27.22311 56.62609 11.27008 69.63435 4.010971 -13.00826      11.96255 
1 1 1 -16 20 9  o 14.58221 6.024908 3.067756       13.97584 -20.37000      50.16714 5.039809       14.55193 23.35505 10.49928 15.37040 6.224792 7.984644       12.20585 
1 1 1 -16 20 10 o 67.59669 3.226818 225.0768       21.28876 212.2307       35.31123 232.4123       26.68349 65.21086 5.585806 68.57636 3.992493 -3.365501      6.865947 
1 1 1 -16 20 11 o 22.91146 5.981960 27.03734       13.55759 6.408671       23.85616 36.87809       16.47703 19.17361 7.891670 26.69564 6.390665 -7.522036      10.15475 
1 1 1 -16 20 12 o 40.03146 4.096815 79.82305       15.82675 64.33185       27.05274 87.88416       19.51489 35.08211 8.049243 41.88577 4.849332 -6.803661      9.397145 
1 1 1 -16 20 13 f 14.39220 5.865786 4.040234       13.01831 0.5465865      22.78160 5.734220       15.86352 17.60183 7.505912 16.07083 6.502591 1.531000       9.930881 
1 1 1 -16 20 14 o 34.73445 4.544977 60.63903       15.08216 58.14909       25.19370 62.02980       18.82887 33.31629 7.854489 34.88587 5.711484 -1.569584      9.711542 
1 1 1 -16 20 15 o 54.84614 3.504653 148.7726       18.71626 145.7090       29.74243 150.7810       24.08225 53.80758 5.735421 55.03033 4.510378 -1.222748      7.296476 
1 1 1 -16 20 16 o 112.7692 3.251899 626.6190       35.85751 581.6390       52.71561 665.3509       48.91747 108.1445 4.993470 115.9085 4.319195 -7.764000      6.602286 
1 1 1 -16 20 17 o 66.94765 3.321892 221.3386       21.70044 230.6635       34.62221 215.3050       27.84972 67.89990 5.250052 65.81605 4.347322 2.083855       6.816323 
1 1 1 -16 20 18 o 78.57777 3.221470 304.6784       24.72510 269.1245       37.51897 331.9722       32.87297 73.33416 5.261803 81.81964 4.117879 -8.485481      6.681579 
1 1 1 -16 20 19 o 11.14977 5.227115 -14.29148      14.37252 -18.30860      22.41472 -11.48664      18.72968 14.35243 6.661257 13.73397 6.269289 0.6184635      9.147476 
1 1 1 -16 20 20 o 53.81674 4.185294 144.4114       21.87379 177.7280       29.71419 105.0000       32.31802 59.47011 5.155443 44.81492 7.641261 14.65519       9.217779 
1 1 1 -16 20 21 o 48.61755 4.038827 117.9394       19.04665 141.5658       28.88044 99.75358       25.33795 52.83742 5.672870 44.15120 6.019659 8.686222       8.271502 
1 1 1 -16 20 22 o 54.58531 3.810654 148.2610       20.23231 127.2231       29.48100 166.9910       27.81705 49.86520 6.171632 57.62434 4.980568 -7.759144      7.930643 
1 1 1 -16 20 23 o 39.85265 5.096782 80.67781       19.42752 78.98000       30.10910 81.88886       25.42930 38.39777 8.256520 39.62140 6.801797 -1.223633      10.69741 
1 1 1 -16 20 24 f 34.47186 5.785082 61.42232       18.82919 37.50000       28.51374 79.92061       25.07370 27.13385 9.104494 39.08792 6.800268 -11.95407      11.36378 
1 1 1 -16 20 25 o 99.05083 3.319226 485.8313       32.13566 452.0791       46.57563 516.4985       44.39605 94.82523 5.036035 101.6540 4.472785 -6.828804      6.735537 
1 1 1 -16 20 26 o 92.30640 4.016959 424.6090       36.20716 343.3000       76.41872 448.1453       41.11494 79.32803 10.06810 94.64352 4.450623 -15.31550      11.00794 
1 1 1 -16 20 27 o 81.20544 4.109732 329.3156       32.56046 228.9000       68.65031 358.4611       36.98513 63.48088 11.47030 84.57247 4.483803 -21.09159      12.31553 
1 1 1 -16 20 28 o 43.44044 4.489796 95.40282       18.81613 83.51163       27.24910 106.2404       26.01390 39.59869 7.299013 45.32386 6.011826 -5.725166      9.456091 
1 1 1 -16 20 29 o 25.30143 6.823816 34.19952       17.28422 26.20309       24.22343 42.49340       24.66984 23.39139 8.362110 28.01042 8.362221 -4.619030      11.82589 
1 1 1 -16 20 30 o 87.97013 3.355793 384.8240       28.84294 409.6743       42.88797 364.3038       38.97269 89.98380 4.887630 84.94296 4.705733 5.040840       6.784751 
1 1 1 -16 20 31 o 35.13353 5.803485 64.71017       19.26179 63.15864       27.27285 66.25431       27.20782 33.68907 8.320407 34.57711 8.169563 -0.8880424     11.66066 
1 1 1 -16 20 32 o 74.69471 3.509963 278.8762       25.59071 269.0777       37.08617 287.7823       35.35715 72.43238 5.266845 75.18927 4.829676 -2.756889      7.146008 
1 1 1 -16 20 33 o 10.52891 5.120553 -27.45477      16.78788 -36.02510      22.73451 -17.17758      24.89570 12.25033 5.957986 15.08835 7.008780 -2.838023      9.198946 
1 1 1 -16 20 34 o 14.41003 6.324071 -1.885208      17.13117 -13.16092      23.07813 11.95353       25.56683 14.90195 6.860370 19.91430 8.180267 -5.012352      10.67621 
1 1 1 -16 20 35 o 19.91581 7.620779 17.19572       20.74099 14.33182       23.67783 26.64000       42.99791 19.89898 7.981929 25.63116 10.57673 -5.732187      13.25060 
1 1 1 -16 20 36 o 56.28556 4.574281 162.4455       24.98443 161.7511       31.14097 163.7000       41.85558 55.39619 5.830411 53.97523 8.178229 1.420956       10.04376 
1 1 1 -16 20 37 o 14.49663 6.393390 -2.234939      17.70847 0.2819843E-01  23.11260 -5.452028      27.55655 16.83679 7.368514 17.36529 7.796072 -0.5285053     10.72724 
1 1 1 -16 20 38 o 30.48245 7.173949 52.19585       21.04638 73.16000       29.78566 31.29234       29.74255 35.28970 8.683137 24.48523 9.180933 10.80447       12.63671 
1 1 1 -16 20 39 o 49.90361 4.553084 128.5278       21.99575 111.9185       29.80239 148.4001       32.59874 45.02731 6.988317 52.31829 6.505764 -7.290974      9.547854 
1 1 1 -16 20 40 o 18.63517 7.275440 14.54957       19.18521 14.73437       25.10573 14.29019       29.74419 19.99395 8.146974 20.87238 8.720296 -0.8784294     11.93385 
1 1 1 -16 20 41 f 17.99045 7.171592 12.37308       18.99364 13.30208       24.61144 11.00495       29.86713 19.52947 8.024488 20.25458 8.614227 -0.7251110     11.77274 
1 1 1 -16 20 42 o 13.14228 6.082520 -11.18311      18.49291 -8.960446      24.13394 -14.34424      28.78144 15.52044 7.096828 16.28177 7.553788 -0.7613297     10.36459 
1 1 1 -16 20 43 o 18.71679 7.263596 15.65787       19.03253 34.67053       25.76588 -7.174011      28.23543 24.45225 8.636089 16.96614 7.726511 7.486118       11.58797 
1 1 1 -16 20 44 o 34.08095 6.445526 64.80685       20.71442 36.86373       28.14378 97.83856       30.59924 25.05710 9.006742 40.87424 7.934304 -15.81714      12.00311 
1 1 1 -16 20 45 o 22.74561 7.710038 29.47665       20.44783 20.26843       28.53490 39.19597       29.31613 21.38926 8.696729 25.55626 9.191636 -4.166996      12.65382 
1 1 1 -16 20 46 o 21.01850 7.735870 23.43291       20.93328 37.79246       29.38523 8.637392       29.82798 25.18433 9.182189 19.55310 8.465988 5.631227       12.48942 
1 1 1 -16 20 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 20 48 o 26.61200 8.510145 43.39793       25.04286 30.76349       29.68454 74.59000       46.64169 23.54059 9.088712 32.02752 11.58399 -8.486929      14.72391 
1 1 1 -16 20 49 o 30.47261 8.012074 56.29402       24.21009 75.33000       38.14587 43.45421       31.32847 33.07700 10.49477 26.32169 9.497361 6.755302       14.15415 
1 1 1 -16 20 50 o 47.35722 5.164333 120.1702       23.55159 135.6383       33.69415 105.3932       32.93287 48.34593 7.351404 41.56041 8.385032 6.785519       11.15132 
1 1 1 -16 20 51 o 39.49303 6.052347 86.99377       22.65193 89.50343       32.01216 84.47706       32.05721 37.53627 8.856755 36.20318 9.066995 1.333092       12.67488 
1 1 1 -16 20 52 o 34.87954 6.787286 70.83852       22.33835 60.90939       31.91542 80.37419       31.27666 29.78535 9.615090 35.01437 9.057853 -5.229019      13.20964 
1 1 1 -16 21 1  o 89.19897 4.188528 392.9237       36.46808 392.5000       58.04647 393.2000       46.87378 88.52273 6.749973 88.96564 5.408263 -0.4429169     8.649361 
1 1 1 -16 21 2  o 109.8448 4.725238 596.7828       50.68651 546.5000       78.20758 633.2000       66.55675 104.1887 7.723628 112.7794 6.051311 -8.590607      9.811870 
1 1 1 -16 21 3  o 40.29773 5.754929 82.07491       22.05605 80.05853       30.32365 84.34000       32.13940 39.24273 8.160684 40.24088 8.429914 -0.9981499     11.73287 
1 1 1 -16 21 4  o 73.97572 4.038395 270.3737       29.13090 249.3598       38.00648 300.3000       45.35561 70.73645 5.533190 77.54379 6.022738 -6.807335      8.178604 
1 1 1 -16 21 5  o 38.37891 4.363078 73.56380       16.09988 62.82836       29.90477 77.94537       19.10494 34.62699 8.804693 39.38610 5.073310 -4.759109      10.16175 
1 1 1 -16 21 6  o 38.76495 4.462492 75.11510       16.62400 48.96000       35.48331 82.47044       18.81688 31.28855 10.14145 40.57278 4.833020 -9.284237      11.23419 
1 1 1 -16 21 7  o 72.24902 3.735587 257.6858       26.32812 226.0597       37.69801 287.8000       36.78590 67.24085 5.783830 76.12312 4.964026 -8.882263      7.621958 
1 1 1 -16 21 8  o 130.8200 4.578296 846.4043       58.53481 0.000000       0.000000 846.4043       58.53481 ?        ?        130.8200 4.578296 ?              ?        
1 1 1 -16 21 9  o 53.28235 4.140271 140.8748       21.42392 50.12000       56.70748 155.9850       23.13877 34.03579 12.69423 56.06366 4.248122 -22.02787      13.38619 
1 1 1 -16 21 10 o 122.1824 3.791916 736.4084       45.29471 722.7000       89.83472 741.0814       52.44953 119.5770 7.716406 122.4082 4.384568 -2.831215      8.875098 
1 1 1 -16 21 11 o 19.43903 6.630442 17.52360       15.12525 -17.18000      50.76075 20.90505       15.84501 23.68297 10.61067 20.76894 6.780203 2.914034       12.59196 
1 1 1 -16 21 12 o 31.22891 4.911522 49.45937       14.51824 63.17201       26.04974 43.28093       17.48568 34.71465 7.850860 28.88964 6.356394 5.825008       10.10147 
1 1 1 -16 21 13 o 41.96962 4.002113 87.74062       16.24227 76.82808       27.48902 93.59389       20.13243 38.39349 7.583812 43.19003 4.845651 -4.796547      8.999697 
1 1 1 -16 21 14 o 149.0394 3.582342 1095.304       52.26061 1100.544       77.35226 1090.904       70.88573 148.6351 5.325346 148.1840 4.893813 0.4510651      7.232476 
1 1 1 -16 21 15 o 17.51580 6.316208 13.03904       13.85373 2.404762       25.14453 17.67427       16.60065 18.71418 7.929234 19.78247 6.936499 -1.068289      10.53507 
1 1 1 -16 21 16 o 39.03001 4.433400 76.43062       16.63745 116.4764       28.12346 54.86994       20.63581 47.84140 6.147545 32.45238 6.717795 15.38902       9.106101 
1 1 1 -16 21 17 o 60.21876 3.478525 179.5406       20.41648 167.9480       32.68695 186.9564       26.14348 57.61908 5.877882 61.24874 4.389850 -3.629665      7.336230 
1 1 1 -16 21 18 o 40.57089 4.883892 83.09042       19.00526 83.85678       27.50274 82.39000       26.29304 40.06066 7.281925 39.78764 7.007136 0.2730217      10.10576 
1 1 1 -16 21 19 o 13.17829 5.928096 -7.170594      16.02177 7.413823       23.62505 -19.59000      21.80111 19.08992 7.854883 13.89359 6.488793 5.196336       10.18841 
1 1 1 -16 21 20 o 112.3756 3.292461 624.0569       36.17681 616.9392       53.68121 629.9793       48.96666 111.0610 4.950478 112.4591 4.457184 -1.398087      6.661360 
1 1 1 -16 21 21 f 95.91698 3.269556 454.9372       30.65174 429.2165       45.72725 475.9241       41.30545 92.49641 5.070000 97.73253 4.328533 -5.236115      6.666416 
1 1 1 -16 21 22 o 51.38247 4.231821 132.1645       21.09527 141.8000       33.97002 126.1163       26.91365 52.35849 6.787913 49.76194 5.623902 2.596550       8.814989 
1 1 1 -16 21 23 o 55.02309 3.913779 151.0696       20.94127 140.4281       31.05780 159.9408       28.35700 52.29257 6.187435 56.21709 5.212670 -3.924522      8.090506 
1 1 1 -16 21 24 o 104.6872 3.946234 545.5068       40.36496 696.4000       90.66994 508.2093       45.07843 115.3274 8.083205 100.7452 4.583291 14.58220       9.292188 
1 1 1 -16 21 25 o 91.53737 3.330825 415.3488       29.79420 409.6642       44.15878 420.0991       40.36681 90.18513 5.022207 91.57631 4.517284 -1.391182      6.754881 
1 1 1 -16 21 26 o 36.04538 5.328260 66.83011       18.23350 24.52766       26.06908 107.3442       25.51208 23.36345 8.626907 45.65771 5.842228 -22.29426      10.41898 
1 1 1 -16 21 27 o 79.19084 3.419488 311.6465       26.44341 302.0829       39.23817 319.6042       35.79220 77.18928 5.224102 79.70969 4.607077 -2.520416      6.965371 
1 1 1 -16 21 28 o 57.94391 3.855742 167.9996       21.74424 149.1051       31.59820 184.9953       29.96848 53.68220 6.122820 60.32523 5.123703 -6.643028      7.983813 
1 1 1 -16 21 29 o 21.37231 7.049255 23.25837       17.10925 23.77628       23.95252 22.71883       24.44733 22.60237 8.282270 22.42511 8.340556 0.1772594      11.75419 
1 1 1 -16 21 30 o 38.02054 5.354340 74.93589       19.37528 35.51948       26.99167 116.8360       27.82909 25.93735 8.857164 47.23999 6.165408 -21.30264      10.79174 
1 1 1 -16 21 31 o 32.56267 6.173935 56.53658       18.95841 35.43266       25.88373 80.96191       27.84618 25.70253 8.674718 38.37944 7.680726 -12.67691      11.58638 
1 1 1 -16 21 32 o 16.64565 6.768096 7.726242       17.28240 13.79494       23.82631 0.9882306      25.10585 19.92405 8.001768 17.80415 7.737490 2.119892       11.13091 
1 1 1 -16 21 33 o 26.58894 6.866790 38.94833       17.99566 10.99825       24.73756 70.36578       26.22713 19.50095 8.032271 35.44368 7.774081 -15.94274      11.17827 
1 1 1 -16 21 34 o 37.54534 7.314157 77.99925       25.91311 87.21000       55.77096 75.46332       29.26373 36.26809 12.71421 36.27898 8.405673 -0.1088715E-01 15.24161 
1 1 1 -16 21 35 o 51.56915 4.813259 137.2277       24.01541 162.6411       29.98499 91.76000       40.10731 55.70364 5.574182 38.55532 10.39318 17.14833       11.79363 
1 1 1 -16 21 36 o 18.97703 7.095913 16.45923       17.74186 8.610766       23.60251 26.65502       26.90148 18.56665 7.763288 23.14657 8.720245 -4.579927      11.67524 
1 1 1 -16 21 37 o 22.30424 7.540407 26.78842       19.55730 25.53000       28.18335 27.95722       27.16135 23.00722 8.863008 23.42095 8.775246 -0.4137306     12.47228 
1 1 1 -16 21 38 o 32.02087 6.463412 56.48056       19.55919 47.35086       26.12257 68.12955       29.50745 28.33357 8.637195 33.78717 8.826818 -5.453604      12.34965 
1 1 1 -16 21 39 o 12.93268 5.969140 -10.63540      17.63239 -10.87143      22.98548 -10.29791      27.48552 14.96909 6.874913 16.52093 7.561579 -1.551841      10.21968 
1 1 1 -16 21 40 o 25.71614 7.292360 37.84075       19.19726 59.58476       25.17928 7.653923       29.66758 31.84346 8.069528 19.66521 8.478580 12.17825       11.70485 
1 1 1 -16 21 41 o 20.47552 7.361736 21.90896       18.80348 44.00464       24.63037 -8.959784      29.11232 27.12551 8.408528 17.03530 7.791399 10.09021       11.46339 
1 1 1 -16 21 42 o 27.39444 7.101243 43.27303       19.19721 47.45112       25.91563 38.19274       28.57699 27.93217 8.619441 25.41623 9.082908 2.515949       12.52174 
1 1 1 -16 21 43 o 27.60481 7.135610 44.10606       19.42032 31.91741       25.70989 60.30103       29.63552 23.69937 8.596438 31.00052 9.142944 -7.301146      12.54959 
1 1 1 -16 21 44 o 17.68343 7.140584 11.71234       19.08569 22.59287       25.69344 -1.682462      28.50790 21.45295 8.406628 17.72595 7.945974 3.727001       11.56762 
1 1 1 -16 21 45 o 25.45710 7.511681 38.09393       19.99986 42.06401       26.96553 33.23978       29.81711 26.24327 8.854139 24.17701 9.164447 2.066263       12.74295 
1 1 1 -16 21 46 o 22.27634 8.115876 27.51287       22.95046 20.70253       26.93083 45.58000       43.86421 21.16409 8.504578 27.12250 10.86932 -5.958406      13.80109 
1 1 1 -16 21 47 o 16.15066 6.925792 4.389441       19.59404 0.8754029      25.91689 9.077848       29.93590 17.34743 7.688563 19.58569 8.480692 -2.238251      11.44710 
1 1 1 -16 21 48 o 43.59940 5.797534 103.8769       24.12908 129.9000       36.38363 83.44565       32.23851 46.48750 8.300413 36.29734 9.093743 10.19016       12.31231 
1 1 1 -16 21 49 o 22.63670 7.741366 29.78227       20.62092 46.74584       27.44421 7.787980       31.24978 27.18305 8.926130 19.51588 8.553782 7.667168       12.36297 
1 1 1 -16 21 50 o 12.20761 5.819684 -19.35307      19.27065 -23.91314      25.77586 -13.57420      29.01673 14.02674 6.698984 16.09469 7.506589 -2.067950      10.06108 
1 1 1 -16 21 51 o 18.12798 7.279057 14.39130       19.71277 26.62833       27.12897 0.7027701      28.69286 21.92332 8.624048 17.67520 7.943561 4.248121       11.72495 
1 1 1 -16 22 1  o 81.07762 4.302563 325.4392       34.02332 235.4000       53.06284 388.3000       44.33683 67.84982 8.152929 88.37350 5.147789 -20.52367      9.642094 
1 1 1 -16 22 2  o 97.21706 3.167403 465.2524       30.10038 404.4234       46.64748 508.6501       39.40089 90.14897 5.309931 101.4886 3.973956 -11.33958      6.632322 
1 1 1 -16 22 3  o 136.6651 3.482979 920.0141       46.55439 853.9968       68.59275 976.3970       63.39028 131.0896 5.356977 140.4538 4.617145 -9.364273      7.072145 
1 1 1 -16 22 4  o 159.8306 5.441720 1269.684       85.00973 1225.000       126.0173 1307.000       115.1589 155.4131 8.314193 161.1752 7.318599 -5.762100      11.07645 
1 1 1 -16 22 5  o 56.12353 4.770710 156.9778       25.95988 163.9877       35.58188 149.0000       37.95891 56.94717 6.499620 53.99777 7.374248 2.949402       9.829782 
1 1 1 -16 22 6  o 44.56525 5.700649 100.3132       24.29856 91.16245       32.56945 111.8000       36.49059 41.77571 8.257719 46.34647 8.350852 -4.570759      11.74422 
1 1 1 -16 22 7  o 89.88770 3.425438 398.4036       30.08342 373.9000       56.68879 408.0094       35.49355 86.14060 6.777872 90.84396 4.001418 -4.703362      7.870889 
1 1 1 -16 22 8  o 67.20969 3.490868 223.0955       22.88656 228.1000       45.58823 221.4093       26.46300 67.04857 7.051798 66.84727 4.063548 0.2013016      8.138813 
1 1 1 -16 22 9  o 59.29771 4.632469 175.1376       26.67464 100.7000       57.33543 195.7000       30.13453 42.95863 12.72946 62.62568 4.956315 -19.66705      13.66031 
1 1 1 -16 22 10 o 65.56316 3.715020 212.6961       23.74360 229.5000       60.06677 209.5842       25.84878 66.21000 9.543623 65.00655 4.082965 1.203445       10.38033 
1 1 1 -16 22 11 f 18.49498 6.640032 14.72152       15.29117 -42.07000      51.78160 20.14703       16.00493 21.48467 10.02292 20.49330 6.820073 0.9913788      12.12321 
1 1 1 -16 22 12 o 90.60684 3.678585 405.7846       32.55698 299.5000       67.81065 437.6237       37.11444 75.74216 9.344390 94.00501 4.042986 -18.26285      10.18152 
1 1 1 -16 22 13 o 72.72092 3.217201 261.0337       22.84375 266.0147       37.27983 258.0390       28.90642 72.90211 5.259653 72.10816 4.112521 0.7939453      6.676584 
1 1 1 -16 22 14 o 109.6402 3.236584 592.9992       34.69664 579.5522       52.86250 603.1768       45.98926 107.7918 5.024030 110.2579 4.269353 -2.466103      6.593046 
1 1 1 -16 22 15 o 42.31096 4.085923 89.45215       16.71163 111.0486       29.51908 79.26558       20.27333 46.47246 6.681142 39.49770 5.383819 6.974754       8.580394 
1 1 1 -16 22 16 o 57.73196 3.557413 165.2963       20.00518 175.0855       33.01563 159.6171       25.14737 58.79672 5.812650 56.48091 4.588153 2.315815       7.405272 
1 1 1 -16 22 17 o 71.35387 4.834310 254.9211       33.56499 150.0000       64.92001 293.2000       39.21268 51.10872 12.96047 76.38559 5.276991 -25.27687      13.99359 
1 1 1 -16 22 18 o 51.81503 4.276038 134.2455       21.49432 118.8006       30.29561 149.9000       30.50055 48.00463 6.623840 54.30025 5.829694 -6.295624      8.823865 
1 1 1 -16 22 19 o 65.43526 3.452279 212.2921       22.03356 187.2335       34.38272 229.7537       28.70145 60.69770 5.859881 67.83022 4.345754 -7.132515      7.295464 
1 1 1 -16 22 20 o 70.31969 3.650158 245.5701       25.03835 287.7000       44.31774 225.8175       30.34551 75.20191 6.072233 67.12012 4.647566 8.081787       7.646691 
1 1 1 -16 22 21 o 42.60503 4.740507 91.78070       19.43495 89.08000       32.96848 93.21908       24.06007 40.60941 8.564076 42.56670 5.935800 -1.957298      10.42004 
1 1 1 -16 22 22 o 41.55278 4.772624 87.46893       19.05969 61.02268       28.64831 108.4704       25.52945 33.45992 8.675591 45.98796 5.800163 -12.52804      10.43589 
1 1 1 -16 22 23 o 66.16125 3.623874 217.7677       23.37876 190.2335       34.51445 241.1115       31.77972 61.02374 5.849793 69.24628 4.716804 -8.222549      7.514540 
1 1 1 -16 22 24 f 86.99014 3.370107 375.4055       28.64161 414.3372       43.82537 346.3801       37.84107 90.69913 4.955291 83.03751 4.674552 7.661629       6.812221 
1 1 1 -16 22 25 o 76.99876 3.468399 294.7237       26.07370 294.2049       39.75811 295.1152       34.53802 76.11756 5.370711 76.59104 4.628550 -0.4734802     7.089993 
1 1 1 -16 22 26 o 46.71928 4.380953 110.1646       19.80043 64.24336       28.44281 153.3455       27.58114 34.13899 8.535206 54.87292 5.197025 -20.73393      9.992938 
1 1 1 -16 22 27 o 67.41507 4.379903 228.7259       28.74553 157.6000       61.46776 248.6351       32.52079 51.13072 12.40894 70.12424 4.766235 -18.99352      13.29281 
1 1 1 -16 22 28 o 78.43975 5.216648 313.7320       39.82529 313.7320       39.82529 0.000000       0.000000 78.43975 5.216648 ?        ?        ?              ?        
1 1 1 -16 22 29 o 65.56580 3.687759 215.3273       23.57177 203.9409       34.28128 225.5384       32.46394 62.85571 5.631548 66.46516 5.027281 -3.609444      7.549033 
1 1 1 -16 22 30 o 42.93243 4.904621 94.79739       20.24154 118.3867       29.07362 72.60725       28.19818 47.26136 6.453101 36.00344 8.187195 11.25792       10.42462 
1 1 1 -16 22 31 o 54.74437 4.158479 151.9940       22.11663 184.4347       32.11535 122.7304       30.50224 59.53722 5.575709 47.84610 6.696061 11.69112       8.713539 
1 1 1 -16 22 32 o 20.20052 7.691188 17.92367       21.05809 0.1523638      24.60434 66.59000       40.71613 17.44313 7.618919 33.03055 10.87362 -15.58742      13.27718 
1 1 1 -16 22 33 o 66.64924 5.732830 232.7666       37.03686 187.3000       62.31509 257.6000       46.05384 53.99381 12.09201 69.14722 6.896187 -15.15342      13.92028 
1 1 1 -16 22 34 o 49.40752 4.990825 126.6013       23.80581 133.8687       29.41317 112.8000       40.53332 50.13452 6.120487 43.35296 9.784784 6.781559       11.54133 
1 1 1 -16 22 35 o 24.45503 7.057201 33.31552       17.82692 18.60417       23.53547 53.11589       27.30444 20.70411 8.065344 30.06368 8.751248 -9.359575      11.90101 
1 1 1 -16 22 36 o 28.77709 6.960162 46.37589       19.38895 45.38000       27.89218 47.30711       26.97124 27.82243 8.989266 28.37763 8.799425 -0.5552025     12.57922 
1 1 1 -16 22 37 o 35.32261 5.759944 67.02239       19.22923 77.67382       26.24069 54.66864       28.25990 37.02538 7.497932 30.19846 8.933894 6.826923       11.66334 
1 1 1 -16 22 38 o 16.91231 6.901544 8.912163       18.04902 19.39107       23.99409 -4.745331      27.39252 20.77364 8.128747 17.23419 7.752066 3.539454       11.23259 
1 1 1 -16 22 39 o 26.32878 7.082237 39.49661       18.64782 40.14153       24.39637 38.59029       28.92121 26.16525 8.402851 25.78480 9.145574 0.3804493      12.41972 
1 1 1 -16 22 40 o 34.92655 6.059149 66.84658       19.96378 67.65723       26.32617 65.74957       30.62506 33.81818 8.066441 32.50228 9.208506 1.315899       12.24190 
1 1 1 -16 22 41 o 33.75033 6.064238 62.69377       19.29734 40.78775       25.54585 91.80665       29.44972 26.08133 8.614152 39.63520 7.868559 -13.55387      11.66695 
1 1 1 -16 22 42 o 15.85500 6.708979 5.148040       17.96155 0.3958239      23.45488 11.88672       27.93010 16.65182 7.350326 19.74466 8.360979 -3.092838      11.13253 
1 1 1 -16 22 43 o 19.75129 7.331973 19.73053       18.87517 44.19943       25.00619 -12.67238      28.77612 26.97873 8.489105 16.38384 7.584423 10.59489       11.38369 
1 1 1 -16 22 44 o 15.38140 6.665600 2.150314       18.52326 14.12597       24.30008 -14.45949      28.61807 19.36374 7.966801 16.09640 7.489744 3.267344       10.93463 
1 1 1 -16 22 45 o 19.60485 7.673958 17.85769       21.39028 5.777297       24.91435 51.73000       41.71877 17.89756 7.743258 28.09502 10.79355 -10.19746      13.28378 
1 1 1 -16 22 46 o 28.45994 7.154876 47.26756       19.90735 58.65007       26.51823 32.56990       30.13351 30.81699 8.510703 23.95624 9.180938 6.860750       12.51885 
1 1 1 -16 22 47 o 27.89691 7.607865 46.55607       21.34322 23.20000       29.93447 70.70706       30.43962 21.93652 8.911814 33.28891 9.088543 -11.35239      12.72879 
1 1 1 -16 22 48 o 58.50390 4.229445 177.6831       24.05651 213.6466       34.13205 142.1837       33.91111 62.86158 5.605922 49.76690 7.167804 13.09468       9.099658 
1 1 1 -16 22 49 o 38.15624 6.454736 82.44501       23.24861 109.1000       34.45157 60.15746       31.50293 41.83443 8.697371 30.03044 9.538370 11.80398       12.90832 
1 1 1 -16 22 50 o 23.94735 7.519483 34.69366       19.63005 10.72689       26.17293 65.51062       29.67853 18.70638 8.012767 31.48968 9.111330 -12.78330      12.13346 
1 1 1 -16 22 51 o 34.47945 7.218807 70.93272       23.58048 77.18479       28.02342 55.77000       43.64126 34.97156 8.309910 27.55521 10.90743 7.416355       13.71228 
1 1 1 -16 23 1  o 60.19565 4.017701 179.7303       23.53724 212.7154       37.72174 158.7000       30.12004 65.01075 5.995386 56.19902 5.547743 8.811733       8.168360 
1 1 1 -16 23 2  o 134.6502 4.983590 901.0164       65.57005 929.8000       102.0826 880.8000       85.55213 135.3561 7.737146 132.3621 6.624353 2.993958       10.18555 
1 1 1 -16 23 3  o 119.1097 3.295121 699.1701       38.38021 647.4010       58.07497 739.3130       51.13972 114.0160 5.217587 122.1954 4.282219 -8.179436      6.749860 
1 1 1 -16 23 4  o 74.50885 3.234893 273.8499       23.53629 250.6915       40.44332 285.7096       28.94211 70.63079 5.903831 75.97359 3.904999 -5.342804      7.078434 
1 1 1 -16 23 5  o 46.57185 5.442985 109.3805       24.34491 109.6267       33.35950 109.1000       35.60820 45.98186 7.682715 45.68025 8.268010 0.3016052      11.28646 
1 1 1 -16 23 6  o 50.74442 5.199108 129.3298       25.45926 117.0295       34.25977 144.5000       38.04697 47.54967 7.618005 52.96539 7.552422 -5.415722      10.72721 
1 1 1 -16 23 7  o 26.71208 8.028127 36.79065       22.68069 58.47414       30.99889 11.81000       33.27234 33.18814 9.215508 22.84457 9.352083 10.34357       13.12963 
1 1 1 -16 23 8  o 32.75278 4.802351 54.33179       14.93885 52.69363       30.43506 54.85175       17.14650 31.61607 9.249583 32.73891 5.548575 -1.122847      10.78617 
1 1 1 -16 23 9  o 13.34912 5.688361 0.2209653      13.06780 36.05000       33.77108 -6.088530      14.17179 27.79197 9.880155 12.49547 5.601792 15.29650       11.35771 
1 1 1 -16 23 10 o 19.29169 6.281303 18.14329       13.60353 -15.31892      29.48711 27.19074       15.33268 17.45716 7.928909 22.94464 6.520741 -5.487474      10.26585 
1 1 1 -16 23 11 o 43.67797 5.264814 96.44483       22.05532 54.18000       54.01842 104.9000       24.16092 33.78988 12.42849 45.50321 5.538517 -11.71333      13.60671 
1 1 1 -16 23 12 o 53.04327 4.125998 140.1987       21.25390 76.99000       56.05815 150.8102       22.96876 37.90622 12.76614 54.98376 4.301955 -17.07755      13.47150 
1 1 1 -16 23 13 o 25.20723 6.543036 33.28461       16.28314 -19.19000      54.64090 38.39882       17.05817 24.06230 10.87459 27.05608 6.518689 -2.993780      12.67872 
1 1 1 -16 23 14 o 74.34290 3.283959 273.3254       23.83803 260.8625       39.26119 280.6027       30.00097 71.90774 5.622717 75.11369 4.095967 -3.205956      6.956428 
1 1 1 -16 23 15 o 47.23845 3.942695 111.3397       18.06425 82.06648       30.89982 126.5388       22.26536 39.19689 8.311871 50.22041 4.579765 -11.02352      9.490070 
1 1 1 -16 23 16 o 49.33431 4.412297 121.9977       21.08219 121.2973       32.62111 122.5000       27.62685 48.31145 7.110802 48.99829 5.877449 -0.6868362     9.225395 
1 1 1 -16 23 17 o 43.62623 4.217716 95.44783       17.78638 92.64846       29.83241 96.99171       22.15465 41.91465 7.548969 43.68665 5.288486 -1.772003      9.217105 
1 1 1 -16 23 18 o 68.77951 3.402394 234.5480       22.83493 213.8545       36.22057 248.1981       29.41747 64.88461 5.762939 70.49554 4.283432 -5.610931      7.180478 
1 1 1 -16 23 19 o 49.56717 4.248971 123.1802       20.41636 110.8000       36.20573 128.9523       24.72180 45.44553 8.450107 50.47390 5.072585 -5.028366      9.855730 
1 1 1 -16 23 20 o 53.14607 4.141993 141.4110       21.37696 154.0000       37.99460 135.5801       25.85793 54.24076 7.344886 51.70680 5.178668 2.533962       8.986988 
1 1 1 -16 23 21 o 84.39765 3.367966 353.2632       27.76715 391.4499       44.32973 328.6068       35.62083 88.08025 5.164401 80.96946 4.512299 7.110794       6.857979 
1 1 1 -16 23 22 o 49.14429 4.254912 121.3363       20.26629 107.2508       31.39409 131.3999       26.53621 45.03391 7.377207 50.76057 5.424798 -5.726662      9.157053 
1 1 1 -16 23 23 o 17.24352 6.861120 9.035189       17.35315 43.28921       26.21770 -17.67122      23.14977 28.33528 8.655894 14.58053 6.767973 13.75475       10.98772 
1 1 1 -16 23 24 o 60.93971 3.792936 185.5253       22.51250 129.2069       32.46083 237.7162       31.24871 49.62529 6.866454 68.66162 4.677490 -19.03633      8.308255 
1 1 1 -16 23 25 o 112.4518 3.394862 628.2554       37.32478 527.2446       52.08440 734.8918       53.51509 101.9565 5.236532 120.9351 4.528826 -18.97859      6.923261 
1 1 1 -16 23 26 o 60.46114 3.810791 183.0654       22.43793 169.9120       32.99957 194.3756       30.60015 57.30404 5.970714 61.76180 5.107329 -4.457764      7.857114 
1 1 1 -16 23 27 o 27.32690 8.809297 40.72989       26.79621 40.72989       26.79621 0.000000       0.000000 27.32690 8.809297 ?        ?        ?              ?        
1 1 1 -16 23 28 o 30.03337 6.527963 48.65841       18.64161 55.98480       26.76302 41.75402       25.98080 31.51192 8.487942 27.46210 8.654545 4.049820       12.12214 
1 1 1 -16 23 29 o 26.81281 6.968752 39.44645       18.45511 34.28857       26.35479 44.40918       25.85143 25.33515 8.748554 28.09225 8.597830 -2.757099      12.26621 
1 1 1 -16 23 30 o 25.93941 7.107316 37.19439       18.57663 19.23699       26.06443 55.73346       26.48321 21.54675 8.460022 31.18777 8.461823 -9.641012      11.96555 
1 1 1 -16 23 31 o 37.10652 6.566298 74.53944       22.97687 55.85933       27.32757 119.6000       42.44333 31.07183 8.661861 44.78891 9.940840 -13.71707      13.18515 
1 1 1 -16 23 32 o 16.97371 7.098423 6.155257       19.73785 0.8850732E-01  24.26493 18.02000       33.93361 17.25342 7.550431 22.67962 9.380959 -5.426203      12.04207 
1 1 1 -16 23 33 o 26.41211 6.862597 38.81065       17.90064 35.93353       24.24500 42.25853       26.54119 25.32383 8.393042 27.11393 8.769577 -1.790104      12.13872 
1 1 1 -16 23 34 o 24.07365 7.105813 32.26630       17.89455 14.69009       23.88305 54.76232       27.01967 19.87726 8.001422 30.53200 8.649223 -10.65474      11.78269 
1 1 1 -16 23 35 o 25.41097 7.330547 36.46266       19.23772 38.40000       28.36018 34.81140       26.18260 25.99181 9.069694 24.97598 8.714585 1.015831       12.57789 
1 1 1 -16 23 36 o 17.15423 6.856472 10.49926       17.40744 -2.112424      23.85064 24.87506       25.46416 16.59293 7.363775 22.33864 8.468769 -5.745710      11.22253 
1 1 1 -16 23 37 o 27.84173 6.891346 43.80318       18.67857 49.52198       25.27495 36.92153       27.72582 28.88055 8.423419 25.37710 8.958906 3.503454       12.29699 
1 1 1 -16 23 38 o 38.72672 5.415731 79.95654       19.96874 86.19044       27.18823 72.65509       29.42426 38.93848 7.403909 34.77440 8.673879 4.164074       11.40412 
1 1 1 -16 23 39 o 24.28475 7.324401 33.91526       18.85448 28.17780       24.81872 41.74556       28.99405 22.79875 8.417641 26.35482 9.172129 -3.556072      12.44928 
1 1 1 -16 23 40 o 18.52410 7.162964 15.42416       18.45875 26.73232       24.41729 0.3427720      28.19826 22.33140 8.329626 17.98534 7.992854 4.346056       11.54419 
1 1 1 -16 23 41 o 14.22779 6.336225 -2.632471      17.81550 -1.329390      23.40734 -4.426688      27.46653 16.34299 7.271475 17.05998 7.710011 -0.7169933     10.59805 
1 1 1 -16 23 42 o 23.81288 7.270568 32.76998       18.50043 21.61138       24.23106 48.36631       28.64699 21.02377 8.185424 27.86676 9.117873 -6.842991      12.25303 
1 1 1 -16 23 43 o 24.94950 7.284608 36.36700       18.89394 37.68363       24.72563 34.51929       29.29084 25.07387 8.478395 24.38644 9.117706 0.6874237      12.45053 
1 1 1 -16 23 44 o 24.23398 7.806211 34.66473       21.04394 31.68982       24.47129 43.11000       41.23122 23.42005 8.400978 26.53164 10.56966 -3.111597      13.50164 
1 1 1 -16 23 45 o 12.26331 5.755357 -13.84961      17.50480 -14.14587      22.36163 -13.38077      28.13072 14.09465 6.579063 16.02873 7.447186 -1.934076      9.937035 
1 1 1 -16 23 46 o 16.15535 6.777042 6.841515       18.07558 23.76107       23.54323 -17.45160      28.21065 21.24834 8.122102 15.54003 7.297340 5.708308       10.91878 
1 1 1 -16 23 47 o 19.28292 7.251353 18.77613       18.58313 19.56008       24.65778 17.74549       28.27252 20.42083 8.160961 20.63406 8.551371 -0.2132339     11.82063 
1 1 1 -16 23 48 o 17.97488 7.125202 14.17220       18.64740 11.42239       24.42066 18.01779       28.87935 18.59952 7.844139 20.63825 8.605267 -2.038734      11.64393 
1 1 1 -16 23 49 o 23.21354 7.274254 32.16594       18.37990 49.41367       24.74780 10.94987       27.44753 27.88294 8.387336 19.00644 8.174448 8.876497       11.71192 
1 1 1 -16 23 50 o 28.29010 8.226987 50.95913       24.14146 47.33000       29.50498 58.31000       41.99172 26.59957 9.252876 28.07150 10.81729 -1.471930      14.23480 
1 1 1 -16 24 1  o 58.98745 3.473510 172.2290       19.96677 141.6574       36.76560 185.0177       23.77905 52.41332 7.369534 61.03579 4.002271 -8.622463      8.386190 
1 1 1 -16 24 2  o 78.10260 3.250032 301.1420       24.79187 248.7425       41.70160 329.7857       30.83217 70.17476 6.132633 81.59415 3.871501 -11.41939      7.252429 
1 1 1 -16 24 3  o 117.7636 3.730629 685.7128       42.94882 766.9000       91.76171 662.9380       48.60094 122.5689 7.687184 115.5951 4.302866 6.973862       8.809509 
1 1 1 -16 24 4  o 104.6942 3.266001 540.8259       33.42824 481.6970       52.07192 582.2762       43.59812 98.08728 5.444929 108.3798 4.117216 -10.29253      6.826325 
1 1 1 -16 24 5  o 91.19940 3.250673 410.5307       28.97186 351.3855       45.98720 449.4539       37.30619 83.64108 5.650245 95.22297 4.011501 -11.58189      6.929460 
1 1 1 -16 24 6  o 71.82633 4.329001 256.6992       30.29403 207.0723       39.03025 331.9000       48.04565 63.86974 6.326120 81.08753 6.097999 -17.21780      8.786659 
1 1 1 -16 24 7  o 75.06869 4.240224 280.2059       31.03020 244.7054       40.19061 332.6000       48.82566 69.59608 5.956980 81.11164 6.196680 -11.51556      8.595607 
1 1 1 -16 24 8  o 28.30666 7.922542 42.25859       22.81285 23.26999       30.44244 66.58000       34.45302 24.27775 9.246548 35.10325 9.703239 -10.82550      13.40341 
1 1 1 -16 24 9  o 41.27298 4.323890 85.43748       17.20917 60.02702       31.94271 95.82915       20.42716 33.39785 9.384574 43.60210 4.869263 -10.20425      10.57260 
1 1 1 -16 24 10 o 41.59309 4.155623 86.63749       16.69231 60.17682       31.56261 96.91228       19.66794 33.40207 9.307920 43.89383 4.648271 -10.49177      10.40403 
1 1 1 -16 24 11 o 34.45355 5.131404 60.53963       16.77800 20.45000       39.00022 69.64422       18.58580 25.46000 10.23315 36.95868 5.288112 -11.49868      11.51875 
1 1 1 -16 24 12 o 106.8650 4.622393 569.8430       48.23699 534.1000       81.93864 588.8000       59.67309 101.2966 8.337696 108.1191 5.658274 -6.822510      10.07637 
1 1 1 -16 24 13 o 20.70511 7.078391 20.44857       17.23988 -17.89000      54.68174 24.68000       18.16637 24.05591 10.87451 22.24356 7.259787 1.812355       13.07515 
1 1 1 -16 24 14 o 95.29363 4.613621 453.7843       42.90616 383.0000       75.08865 488.1000       52.28206 84.97886 9.172438 98.44450 5.446922 -13.46564      10.66783 
1 1 1 -16 24 15 o 40.96066 4.882260 84.98884       19.18979 116.9978       32.28366 67.50000       23.86312 47.33440 7.194011 35.77864 7.064730 11.55576       10.08287 
1 1 1 -16 24 16 o 28.28625 5.831435 41.79496       15.60892 55.03658       29.53671 36.66411       18.38594 31.83228 9.051710 26.29673 7.014060 5.535553       11.45122 
1 1 1 -16 24 17 o 11.41902 5.334764 -13.52829      14.75503 -10.73297      27.62965 -14.64353      17.45194 17.24595 7.769008 12.58199 5.852563 4.663955       9.726766 
1 1 1 -16 24 18 o 45.82457 4.458205 105.7756       19.74450 100.0000       37.81345 107.9406       23.15120 42.65849 9.317414 46.05561 5.227910 -3.397125      10.68388 
1 1 1 -16 24 19 o 36.56789 5.278598 68.60992       18.34777 65.66258       31.37592 70.14153       22.61814 34.51310 9.143135 36.55203 6.562958 -2.038925      11.25475 
1 1 1 -16 24 20 o 17.96987 6.884489 12.10054       16.94041 28.78637       28.79655 3.270051       20.94879 24.86337 9.085938 17.18195 7.256717 7.681423       11.62816 
1 1 1 -16 24 21 o 106.7788 3.384552 565.8038       35.33001 564.7848       53.97305 566.5678       46.73360 105.6787 5.234035 106.2911 4.502054 -0.6124039     6.903884 
1 1 1 -16 24 22 o 32.33524 6.001671 54.85545       18.29648 64.39056       28.49166 48.16385       23.86821 34.18705 8.539859 29.72890 8.019263 4.458151       11.71485 
1 1 1 -16 24 23 o 24.31434 7.114731 31.46371       18.00575 24.95407       26.78547 36.83038       24.32057 23.47787 8.730642 26.30563 8.383745 -2.827763      12.10419 
1 1 1 -16 24 24 o 55.58199 4.034436 155.1816       21.80000 140.6451       32.69941 166.8115       29.24820 51.80480 6.598092 57.12409 5.290985 -5.319290      8.457501 
1 1 1 -16 24 25 o 74.80067 3.509102 279.2051       25.62096 249.5172       37.30168 305.7202       35.25214 69.72369 5.510420 77.72087 4.655180 -7.997177      7.213559 
1 1 1 -16 24 26 o 45.77058 4.627769 106.8352       20.44859 69.85847       29.25176 142.1745       28.59672 35.23188 8.566345 52.37070 5.668820 -17.13882      10.27219 
1 1 1 -16 24 27 o 40.25404 5.122978 83.85008       19.72876 70.27971       27.87279 97.47489       27.92864 35.38833 8.206381 42.55526 6.944118 -7.166931      10.75014 
1 1 1 -16 24 28 o 15.63682 6.665993 2.409276       17.95884 -21.77474      25.13283 27.64006       25.67098 14.59851 6.865427 23.49392 8.579750 -8.895408      10.98846 
1 1 1 -16 24 29 o 27.80038 7.030929 42.82442       19.14189 56.33298       26.56852 28.24393       27.60252 31.30127 8.468180 23.80027 8.860433 7.501005       12.25632 
1 1 1 -16 24 30 o 20.81604 8.112960 18.36229       23.82357 30.59000       54.04259 15.41291       26.54169 27.50352 11.63762 20.74901 8.405416 6.754511       14.35567 
1 1 1 -16 24 31 o 30.51976 7.124048 52.01466       20.89283 35.58366       25.07425 89.33000       37.78676 25.27575 8.537984 38.27180 9.983898 -12.99606      13.13680 
1 1 1 -16 24 32 o 16.81395 6.787100 9.024875       17.23612 13.91844       23.22628 3.026766       25.71426 19.57371 7.886627 18.12067 7.853124 1.453039       11.12971 
1 1 1 -16 24 33 o 23.98873 7.408895 32.12262       19.14257 10.43000       28.31215 50.39030       25.98116 20.03619 8.447822 29.32677 8.536502 -9.290583      12.00989 
1 1 1 -16 24 34 o 47.87179 4.869663 119.1712       22.50110 148.6000       35.20519 98.84695       29.25681 51.89557 7.117937 42.01684 7.383039 9.878727       10.25545 
1 1 1 -16 24 35 o 43.37796 4.768206 98.00174       19.91215 105.3915       28.38539 90.84206       27.93996 43.67870 6.865510 40.14821 7.381667 3.530483       10.08088 
1 1 1 -16 24 36 o 14.15408 6.262051 -2.173172      17.11713 -3.769511      23.59934 -0.4010472     24.86477 16.18557 7.244473 17.10881 7.559322 -0.9232368     10.47023 
1 1 1 -16 24 37 o 16.39522 6.783572 7.367139       17.75131 -11.87640      23.48614 33.00806       27.11040 14.94439 6.894595 24.26902 8.823935 -9.324626      11.19809 
1 1 1 -16 24 38 o 17.22461 6.913511 10.98511       17.77497 9.265115       23.58788 13.24528       27.03932 18.34269 7.721033 19.88286 8.311156 -1.540165      11.34415 
1 1 1 -16 24 39 o 24.84190 7.222420 35.73056       18.60785 63.13373       24.97622 1.545448       27.89618 32.62459 7.905160 18.06772 7.993815 14.55688       11.24245 
1 1 1 -16 24 40 f 30.92853 6.568768 54.09312       19.27131 57.68135       26.01915 49.73266       28.68261 30.73220 8.407732 28.18225 9.116608 2.549952       12.40171 
1 1 1 -16 24 41 o 16.24074 6.744165 7.373224       17.63482 7.648210       22.98399 6.979639       27.49728 17.79177 7.561375 18.77996 8.129874 -0.9881840     11.10267 
1 1 1 -16 24 42 o 20.96548 7.352588 24.16575       18.65252 34.02071       23.91194 8.849785       29.80983 24.04462 8.331757 19.52928 8.459528 4.515335       11.87358 
1 1 1 -16 24 43 o 63.77451 3.896502 208.8679       24.20753 227.7332       33.40172 187.9961       35.13308 65.36506 5.265068 58.41144 6.241475 6.953617       8.165595 
1 1 1 -16 24 44 o 18.68814 7.286405 15.97443       19.22240 25.20000       26.16850 5.162598       28.32903 21.94222 8.516623 18.57285 8.142240 3.369371       11.78257 
1 1 1 -16 24 45 o 26.26382 7.687778 41.45709       21.01998 42.46138       24.27760 38.45000       42.00975 26.25418 8.377330 25.57497 10.49354 0.6792107      13.42736 
1 1 1 -16 24 46 o 26.82623 7.656123 43.28994       21.09278 44.50558       24.37007 39.66000       42.11192 26.81654 8.372147 25.73415 10.52656 1.082388       13.44996 
1 1 1 -16 24 47 o 31.63854 7.191041 59.07639       21.76288 71.80370       25.52161 25.16000       41.66242 34.51726 7.744706 23.34591 10.05630 11.17135       12.69290 
1 1 1 -16 24 48 o 12.71786 5.951854 -12.62922      18.49782 -9.716750      20.94582 -22.95000      39.42969 14.02539 6.484949 17.59175 8.368984 -3.566365      10.58747 
1 1 1 -16 24 49 o 39.31155 5.973074 86.89633       22.26171 84.69074       25.77149 93.38000       44.18627 37.69683 7.247590 34.53866 11.32529 3.158165       13.44581 
1 1 1 -16 25 1  o 66.21514 3.365524 217.0546       21.74150 188.2318       39.03897 230.0135       26.17668 60.62065 6.690335 68.02451 3.948331 -7.403854      7.768519 
1 1 1 -16 25 2  o 40.74223 4.230485 83.24014       16.62570 85.65527       34.16133 82.49054       19.03171 39.87032 8.971006 40.38854 4.915168 -0.5182266     10.22926 
1 1 1 -16 25 3  o 83.27840 3.257188 342.8151       26.49983 310.6143       44.62906 360.3510       32.93428 78.39539 5.858315 85.18539 3.960657 -6.790001      7.071538 
1 1 1 -16 25 4  o 98.87370 3.270718 483.0972       31.61054 417.2944       49.52589 528.3314       41.06233 91.04099 5.584496 103.1331 4.075634 -12.09215      6.913565 
1 1 1 -16 25 5  o 53.44538 3.775873 142.1013       19.62588 102.7900       36.92238 157.5823       23.17022 43.74836 8.924924 56.17858 4.245010 -12.43021      9.883035 
1 1 1 -16 25 6  f 62.66761 3.474954 194.6962       21.23218 182.2350       38.52518 200.1322       25.44535 59.58572 6.722578 63.37524 4.124279 -3.789516      7.886871 
1 1 1 -16 25 7  o 69.74176 4.418615 242.8478       30.00867 233.1589       39.87637 255.5000       45.56824 67.73732 6.078821 70.67470 6.665801 -2.937378      9.021361 
1 1 1 -16 25 8  o 42.03179 6.292979 91.10704       25.09517 68.86143       33.67249 118.9000       37.63747 35.53982 9.497866 47.29021 8.440678 -11.75039      12.70647 
1 1 1 -16 25 9  o 14.43694 6.654340 -15.36687      21.80583 -23.02603      29.74006 -6.462000      32.06751 16.49686 7.662147 19.37826 8.572297 -2.881392      11.49751 
1 1 1 -16 25 10 o 60.32243 4.805546 182.8004       28.14008 150.3814       36.64363 229.4000       43.93298 53.83180 7.129410 66.80113 6.814264 -12.96933      9.862185 
1 1 1 -16 25 11 o 104.4365 3.294608 539.5715       33.63711 500.4470       52.14567 567.4528       44.02006 99.69702 5.363292 106.7401 4.221572 -7.043068      6.825436 
1 1 1 -16 25 12 o 45.30801 4.172496 102.9091       18.29680 63.76390       34.34467 118.4216       21.62031 34.09752 9.781738 48.50854 4.608715 -14.41101      10.81308 
1 1 1 -16 25 13 o 17.53729 7.016973 8.733000       18.25151 0.000000       0.000000 8.733000       18.25151 ?        ?        17.53729 7.016973 ?              ?        
1 1 1 -16 25 14 o 55.79227 4.958830 157.1787       26.79884 95.17000       59.89458 172.7000       29.96570 40.46277 13.18046 58.37656 5.301981 -17.91379      14.20688 
1 1 1 -16 25 15 o 55.89991 4.221681 156.5321       22.92877 102.2000       60.65146 165.5918       24.76674 41.64604 13.23570 57.43456 4.439888 -15.78852      13.96053 
1 1 1 -16 25 16 o 66.24568 3.709039 218.5338       23.95452 243.1000       48.95670 210.8009       27.46715 68.18032 7.457271 64.84969 4.352327 3.330635       8.634445 
1 1 1 -16 25 17 o 42.67362 4.795939 92.37488       19.68633 87.79000       39.31278 93.90939       22.74338 39.50908 10.12132 42.77810 5.563252 -3.269020      11.54950 
1 1 1 -16 25 18 o 59.67847 3.739996 177.6490       21.73732 172.7856       36.77677 180.2604       26.94843 57.71489 6.630260 59.81786 4.638755 -2.102966      8.091872 
1 1 1 -16 25 19 o 31.84176 6.067709 53.24371       18.22133 69.61519       31.15476 44.73199       22.46412 35.44783 8.972407 28.74112 7.791369 6.706713       11.88316 
1 1 1 -16 25 20 o 43.21316 4.693785 94.81755       19.53533 87.98619       31.81341 98.95268       24.75147 40.12609 8.371061 43.70017 5.940078 -3.574081      10.26446 
1 1 1 -16 25 21 o 61.40570 3.782827 188.5015       22.62654 185.9588       36.26445 190.1224       28.95348 59.90926 6.277256 61.25293 4.869160 -1.343666      7.944347 
1 1 1 -16 25 22 o 31.25110 6.279158 51.82361       18.54034 61.83450       29.81997 45.51514       23.67189 33.23499 8.962861 28.81648 8.072171 4.418505       12.06204 
1 1 1 -16 25 23 o 40.68467 5.151151 85.21957       20.05448 102.5283       31.30680 73.17449       26.11627 43.52197 7.626776 36.66842 7.528656 6.853558       10.71673 
1 1 1 -16 25 24 o 34.16892 6.081619 61.82533       19.59462 24.49541       28.98067 93.26170       26.59476 23.51012 9.005200 41.83126 6.722882 -18.32114      11.23792 
1 1 1 -16 25 25 o 44.90266 4.820128 103.4191       20.85416 67.92458       30.55370 134.3766       28.53423 34.43739 8.974689 50.73008 5.853603 -16.29269      10.71493 
1 1 1 -16 25 26 o 59.47168 4.043653 178.7652       23.39912 166.9023       34.06650 189.3608       32.19542 56.21268 6.299614 60.42055 5.504179 -4.207867      8.365472 
1 1 1 -16 25 27 o 49.81918 4.528116 127.0265       21.84008 96.91328       31.34637 155.4354       30.44637 41.59211 7.989944 54.41928 5.805332 -12.82717      9.876288 
1 1 1 -16 25 28 o 37.03727 6.772597 74.74621       23.64827 43.74989       27.97262 152.4000       44.27509 27.67489 9.006960 51.38859 9.136940 -23.71370      12.83000 
1 1 1 -16 25 29 o 36.19266 7.561467 73.45270       25.92265 -36.87000      54.10672 106.3205       29.53275 20.82709 9.877941 44.03778 7.092106 -23.21069      12.16025 
1 1 1 -16 25 30 o 15.06850 6.645924 -2.107554      19.13724 -25.01781      22.58180 56.28000       36.04988 13.17943 6.287660 30.46703 10.23732 -17.28760      12.01405 
1 1 1 -16 25 31 o 23.99981 7.126002 32.11632       17.95322 37.76368       23.89141 24.79082       27.21055 25.75217 8.319564 22.69810 8.717814 3.054070       12.05054 
1 1 1 -16 25 32 o 22.62455 7.516986 27.93841       19.44477 41.88000       29.63083 17.39340       25.76979 26.89643 9.276878 20.80411 8.333198 6.092321       12.47007 
1 1 1 -16 25 33 o 30.30884 6.594357 51.00146       19.00605 28.39525       27.04341 73.06494       26.71681 23.37737 8.756738 35.63273 7.870353 -12.25537      11.77382 
1 1 1 -16 25 34 o 18.93559 7.117923 16.69882       17.90169 20.21491       24.97536 12.98364       25.67266 21.13881 8.286899 19.75393 8.164124 1.384872       11.63295 
1 1 1 -16 25 35 o 20.96976 7.186825 23.63478       17.77470 30.22466       24.97063 16.86605       25.30719 23.46438 8.477376 20.39637 8.227300 3.068014       11.81331 
1 1 1 -16 25 36 o 13.43847 6.094165 -6.400112      17.33677 12.49019       24.18323 -26.37348      24.86684 19.18460 7.925806 13.71784 6.559181 5.466757       10.28792 
1 1 1 -16 25 37 o 33.32076 6.099660 61.26920       19.16131 69.77525       26.35454 51.73043       27.90857 34.30042 7.997556 28.90776 8.948890 5.392654       12.00181 
1 1 1 -16 25 38 o 21.14429 7.187862 24.72870       17.77312 22.31708       23.81381 27.76116       26.70364 21.13008 8.145152 22.74072 8.660384 -1.610645      11.88889 
1 1 1 -16 25 39 o 25.16609 7.169371 36.85212       18.51247 46.22342       24.61029 24.63842       28.09573 27.53229 8.381566 22.15655 8.757616 5.375738       12.12215 
1 1 1 -16 25 40 o 17.87638 7.022149 13.64333       17.96462 15.56533       24.02494 11.20579       27.05590 19.60476 7.976669 19.38070 8.218941 0.2240524      11.45331 
1 1 1 -16 25 41 o 29.36598 8.500970 53.29384       25.82968 53.29384       25.82968 0.000000       0.000000 29.36598 8.500970 ?        ?        ?              ?        
1 1 1 -16 25 42 o 24.93880 7.883654 37.16748       21.54315 55.63854       25.39856 -10.20000      40.67273 30.06884 8.338704 19.36586 8.982916 10.70298       12.25670 
1 1 1 -16 25 43 o 24.97931 8.352476 37.71953       24.00025 26.53000       29.19575 61.04000       42.14852 22.53032 8.920449 29.61696 10.96338 -7.086641      14.13401 
1 1 1 -16 25 44 o 24.94924 7.756434 37.36628       20.94118 41.02698       24.36893 27.03000       40.94832 25.81324 8.407184 23.74108 10.09134 2.072165       13.13453 
1 1 1 -16 25 45 o 16.73565 7.047441 7.572979       19.66443 13.20058       22.54421 -10.33000      40.21018 18.62893 7.669973 19.13163 8.893893 -0.5026970     11.74435 
1 1 1 -16 25 46 o 17.88158 8.141850 -3.362155      31.33361 53.68000       50.70602 -38.60000      39.85348 27.71301 11.46553 16.57178 8.019309 11.14122       13.99170 
1 1 1 -16 25 47 o 23.09777 9.238347 30.50688       31.62434 22.56000       49.15289 36.12000       41.30979 23.50079 10.49138 24.64677 10.28546 -1.145977      14.69216 
1 1 1 -16 25 48 o 15.60329 6.543437 7.038329       16.84292 14.84280       18.55295 -29.54000      40.16550 17.92127 7.106116 17.05564 8.202551 0.8656311      10.85259 
1 1 1 -16 26 1  o 14.67501 5.972134 4.708965       13.47058 16.96000       54.99038 3.926892       13.89390 27.95326 11.77895 14.64119 6.023984 13.31207       13.22997 
1 1 1 -16 26 2  o 48.89886 3.677048 119.0842       17.47074 116.6000       57.48356 119.3370       18.33821 44.91669 12.57782 48.90768 3.861983 -3.990982      13.15738 
1 1 1 -16 26 3  o 17.78721 6.392876 13.85258       14.17835 28.96693       30.27915 9.607860       16.04624 25.33474 9.307335 17.04663 6.654140 8.288113       11.44133 
1 1 1 -16 26 4  o 75.44284 3.679207 282.6213       27.08737 239.5000       64.90236 291.7167       29.80751 66.25011 10.34656 76.55326 3.991707 -10.30315      11.08986 
1 1 1 -16 26 5  o 64.34705 3.533165 205.5517       22.16812 149.1145       38.91184 232.6707       26.97337 53.32621 7.675584 68.32401 4.051445 -14.99780      8.679216 
1 1 1 -16 26 6  o 47.13286 4.018741 111.1044       18.36376 97.29077       35.42973 116.1786       21.47332 42.42149 8.820452 48.04190 4.623413 -5.620415      9.958731 
1 1 1 -16 26 7  o 90.55047 3.316974 405.9550       29.34975 392.5494       48.43856 413.7318       36.89344 88.08640 5.647682 91.12173 4.147257 -3.035332      7.006858 
1 1 1 -16 26 8  o 53.43630 3.871844 142.4661       20.11429 54.37368       36.24746 181.6624       24.17855 31.78537 10.24567 60.30171 4.121096 -28.51634      11.04342 
1 1 1 -16 26 9  o 15.49360 7.039940 -11.82180      23.27498 -30.86034      32.31517 8.701000       33.55120 16.48362 7.762166 22.02725 9.236217 -5.543629      12.06478 
1 1 1 -16 26 10 o 61.93996 4.848534 193.2463       29.16186 168.1506       38.50575 227.0000       44.65667 56.84679 7.072637 66.19515 6.997957 -9.348358      9.949553 
1 1 1 -16 26 11 o 78.55759 5.849708 314.0451       44.65807 314.0451       44.65807 0.000000       0.000000 78.55759 5.849708 ?        ?        ?              ?        
1 1 1 -16 26 12 o 31.51347 6.057888 51.97619       18.00765 45.11964       33.59686 54.74000       21.33044 29.32654 9.883041 32.07553 6.991706 -2.748993      12.10613 
1 1 1 -16 26 13 o 28.11877 6.084330 41.64195       16.25898 -17.99932      32.28166 61.91377       18.82040 17.81919 8.170361 34.54380 5.769458 -16.72461      10.00207 
1 1 1 -16 26 14 o 59.22353 4.189904 175.7409       24.13192 72.40000       61.29908 194.6941       26.25175 36.28801 13.25713 62.30089 4.331830 -26.01288      13.94690 
1 1 1 -16 26 15 o 30.86248 6.698439 50.61742       19.65328 0.000000       0.000000 50.61742       19.65328 ?        ?        30.86248 6.698439 ?              ?        
1 1 1 -16 26 16 o 34.08128 7.591106 62.67000       24.67421 0.000000       0.000000 62.67000       24.67421 ?        ?        34.08128 7.591106 ?              ?        
1 1 1 -16 26 17 f 36.09618 5.425916 67.29891       18.57822 87.43961       34.18647 58.85809       22.13143 39.71994 9.001852 33.15918 7.036726 6.560760       11.42580 
1 1 1 -16 26 18 o 87.49590 3.424223 380.6355       29.26959 353.5807       46.44834 398.4546       37.69569 83.15225 5.742024 89.10684 4.334904 -5.954590      7.194598 
1 1 1 -16 26 19 o 41.68372 4.949523 88.77734       19.80087 111.8516       34.78392 77.71557       24.08389 45.41383 8.123227 38.32065 6.662518 7.093178       10.50600 
1 1 1 -16 26 20 o 50.18726 4.362779 127.2884       21.21927 121.9220       35.49077 130.2738       26.47165 47.47576 7.915816 50.33804 5.459852 -2.862286      9.616139 
1 1 1 -16 26 21 o 40.98288 5.176515 86.53900       20.30328 60.51981       33.71625 101.3420       25.43125 32.53507 9.790530 44.01142 6.064343 -11.47635      11.51654 
1 1 1 -16 26 22 o 22.65239 7.321019 26.95465       18.49937 33.65983       30.31333 22.97545       23.35212 25.74879 9.335150 22.15947 8.168038 3.589325       12.40411 
1 1 1 -16 26 23 o 22.07893 7.419562 25.22679       18.93594 21.18512       29.52107 28.05221       24.68270 22.80063 8.987935 23.59445 8.440288 -0.7938194     12.32970 
1 1 1 -16 26 24 o 69.79534 3.739688 244.8232       25.45537 217.5707       37.97443 267.0615       34.30349 64.40488 6.096305 72.25291 4.879002 -7.848030      7.808303 
1 1 1 -16 26 25 o 43.77959 5.069972 99.39060       21.32505 40.06467       30.52299 155.9626       29.80613 26.89281 9.407456 54.60671 5.658294 -27.71390      10.97800 
1 1 1 -16 26 26 o 25.36418 7.440292 35.81264       19.67031 13.12666       28.18521 57.35380       27.46483 20.68377 8.551923 31.45250 8.651533 -10.76873      12.16488 
1 1 1 -16 26 27 o 45.22405 6.310286 109.5777       27.17389 98.90000       56.78060 112.7498       30.94816 38.09797 12.84818 45.30707 7.220672 -7.209095      14.73818 
1 1 1 -16 26 28 o 52.64769 5.021754 143.8821       25.56547 136.1929       31.29785 159.3000       44.31846 50.26192 6.514761 52.42170 8.958652 -2.159779      11.07698 
1 1 1 -16 26 29 o 46.90534 5.363431 115.5120       24.18252 113.1184       30.06311 119.9000       40.70452 45.38858 6.990850 44.72811 9.585524 0.6604767      11.86399 
1 1 1 -16 26 30 o 31.34176 6.679986 54.37907       19.86603 56.03090       28.02636 52.71099       28.16377 30.71590 8.843987 29.78243 8.944956 0.9334736      12.57889 
1 1 1 -16 26 31 o 27.53058 7.593538 43.42606       21.12554 23.25000       33.07882 57.32338       27.45347 23.16845 9.384308 31.06049 8.690269 -7.892044      12.79007 
1 1 1 -16 26 32 o 16.42156 6.838016 6.611495       18.20041 -18.07561      26.37231 29.06274       25.14973 15.21095 7.114720 23.27547 8.493403 -8.064527      11.07958 
1 1 1 -16 26 33 o 24.30484 7.222203 33.54897       18.43550 35.60376       26.67166 31.66918       25.51056 24.97210 8.789433 23.90457 8.577184 1.067528       12.28097 
1 1 1 -16 26 34 o 37.48555 5.520209 75.26811       19.64889 96.78587       28.78290 56.48874       26.88912 41.29883 7.391586 30.61438 8.613049 10.68445       11.34990 
1 1 1 -16 26 35 o 16.86472 6.857997 9.510975       17.74710 -27.01259      25.36771 44.52256       24.83708 13.80783 6.608335 27.23529 8.443934 -13.42746      10.72241 
1 1 1 -16 26 36 o 31.80772 6.362309 56.59409       19.11620 67.21787       27.66278 46.88365       26.44696 33.22562 8.478878 27.63514 8.734822 5.590477       12.17327 
1 1 1 -16 26 37 o 16.95086 6.932526 9.664666       18.26078 -18.94235      26.01451 37.45150       25.63887 14.79137 6.965029 25.03077 8.629548 -10.23940      11.08967 
1 1 1 -16 26 38 o 12.95775 5.998240 -10.56763      17.99650 -12.68142      24.92265 -8.264628      26.01422 15.16624 7.033814 16.07630 7.357449 -0.9100609     10.17873 
1 1 1 -16 26 39 o 17.65746 7.336447 9.876099       20.88425 -4.305010      24.78560 44.59000       38.77896 16.24779 7.335281 26.74294 10.37098 -10.49516      12.70289 
1 1 1 -16 26 40 o 17.92607 7.701073 7.014434       24.30853 7.014434       24.30853 0.000000       0.000000 17.92607 7.701073 ?        ?        ?              ?        
1 1 1 -16 26 41 o 30.08892 7.499904 53.72570       22.00961 56.81374       25.97782 45.87000       41.43373 30.27847 8.446921 26.86352 10.62976 3.414951       13.57727 
1 1 1 -16 26 42 o 35.39270 7.364885 73.32024       24.68296 65.46000       30.16720 89.24000       42.93239 31.91771 9.171068 35.25862 11.12708 -3.340908      14.41945 
1 1 1 -16 26 43 o 26.41641 9.511765 44.64338       31.40409 37.39000       48.49999 49.88000       41.20950 25.70078 10.95538 27.36429 10.66878 -1.663519      15.29193 
1 1 1 -16 26 44 o 15.51735 7.371433 -23.18816      30.36954 -45.23000      48.60199 -9.069000      38.89864 18.04441 8.761064 18.96564 8.792965 -0.9212246     12.41259 
1 1 1 -16 26 45 o 11.92066 5.590356 -12.55576      16.46255 -9.239014      18.11377 -28.30000      39.46516 13.08926 6.044493 17.24491 8.250384 -4.155650      10.22765 
1 1 1 -16 26 46 o 14.17627 6.205237 0.8812886      16.39731 8.137004       18.00505 -34.39000      39.69766 16.26209 6.788696 16.72570 8.071671 -0.4636097     10.54696 
1 1 1 -16 26 47 o 24.04132 6.643581 34.22676       16.15356 29.86222       17.56595 58.14000       41.11699 22.33362 7.125832 27.92626 10.71882 -5.592638      12.87131 
1 1 1 -16 27 1  o 62.94213 4.013102 197.8071       24.59574 308.6000       66.47120 180.2315       26.47484 75.86440 9.134977 59.89880 4.549562 15.96561       10.20521 
1 1 1 -16 27 2  o 53.50858 3.674475 142.6831       19.12848 98.80000       58.73146 147.8905       20.23161 41.06616 13.02131 54.44149 3.820855 -13.37533      13.57031 
1 1 1 -16 27 3  o 42.80787 4.184423 92.09917       17.30972 73.63000       57.25031 93.95744       18.15966 36.49852 12.87466 43.19527 4.354390 -6.696754      13.59109 
1 1 1 -16 27 4  o 43.09347 4.153931 93.29360       17.30486 67.69000       58.20264 95.77644       18.12449 35.52806 12.92733 43.62851 4.299967 -8.100452      13.62371 
1 1 1 -16 27 5  o 67.22308 3.399520 224.3392       22.29617 110.2000       63.27264 240.5217       23.82435 42.98113 13.50060 69.57926 3.509455 -26.59813      13.94928 
1 1 1 -16 27 6  o 79.25602 3.772851 312.6448       29.18498 222.4000       66.95077 333.8166       32.42823 62.74230 11.31789 81.79341 4.063127 -19.05111      12.02512 
1 1 1 -16 27 7  o 76.10866 3.389629 287.4762       25.18845 242.0803       42.03566 312.9073       31.46248 68.64185 6.327541 79.17010 4.073692 -10.52826      7.525474 
1 1 1 -16 27 8  f 66.36596 3.522065 219.0087       22.79770 155.6259       39.20938 251.3799       28.02102 54.32201 7.580226 70.93796 4.052375 -16.61595      8.595439 
1 1 1 -16 27 9  o 47.99600 4.081037 115.5545       18.99099 104.5970       36.59507 119.5931       22.21675 43.77473 8.845406 48.63549 4.726351 -4.860760      10.02894 
1 1 1 -16 27 10 o 83.55394 5.865002 356.0675       47.66219 356.0675       47.66219 0.000000       0.000000 83.55394 5.865002 ?        ?        ?              ?        
1 1 1 -16 27 11 o 46.79568 8.395735 118.2416       37.04361 118.2416       37.04361 0.000000       0.000000 46.79568 8.395735 ?        ?        ?              ?        
1 1 1 -16 27 12 f 14.51516 6.821026 -23.22141      24.72595 -42.62471      33.56763 -0.2056000     36.55914 15.73483 7.549434 21.31296 9.298623 -5.578126      11.97741 
1 1 1 -16 27 13 o 32.11995 5.839502 53.93885       17.68325 -4.859464      35.75440 72.97837       20.34582 20.43044 9.044037 37.52666 5.719524 -17.09621      10.70082 
1 1 1 -16 27 14 o 36.93755 5.467083 70.49648       19.17038 75.85000       45.00145 69.30959       21.18917 36.22668 11.38659 36.36747 6.172907 -0.1407890     12.95219 
1 1 1 -16 27 15 o 61.13145 4.375820 188.1183       26.01048 47.45000       65.22783 214.7155       28.36310 32.51479 13.17498 65.29294 4.464807 -32.77815      13.91096 
1 1 1 -16 27 16 o 57.15223 4.465878 164.8329       24.78486 62.93000       63.67556 183.0284       26.90679 34.40676 13.30405 60.18592 4.602221 -25.77916      14.07757 
1 1 1 -16 27 17 o 33.29622 6.025066 58.34755       18.91376 53.77000       39.54850 59.70498       21.53628 31.21126 10.71939 33.39500 6.819304 -2.183737      12.70465 
1 1 1 -16 27 18 o 47.79955 5.178054 117.1943       23.84039 64.95048       35.30172 161.0000       32.32536 33.64157 9.993373 55.68462 6.026575 -22.04305      11.66992 
1 1 1 -16 27 19 o 41.81391 5.029973 89.87857       20.17406 58.11810       33.40534 108.1122       25.31100 31.88246 9.776576 45.56921 5.806237 -13.68675      11.37074 
1 1 1 -16 27 20 o 47.98000 4.607814 117.3459       21.37449 97.77709       34.58397 129.4409       27.18911 41.68231 8.755459 49.92400 5.663871 -8.241688      10.42773 
1 1 1 -16 27 21 o 34.17976 6.135581 62.23284       19.77295 49.48610       31.63345 70.40660       25.33132 29.49025 9.576797 35.77032 7.476002 -6.280075      12.14931 
1 1 1 -16 27 22 o 32.78419 6.382452 57.90912       19.74432 60.68834       31.72356 56.15183       25.22560 32.23388 9.446948 31.51788 8.125016 0.7160072      12.46037 
1 1 1 -16 27 23 o 35.05952 6.175174 65.93836       20.41768 39.04725       30.28637 88.34207       27.64411 26.62051 9.366405 40.06081 7.319429 -13.44029      11.88712 
1 1 1 -16 27 24 o 62.94783 4.026098 200.7900       24.67679 165.4893       35.52512 233.7045       34.30344 55.49620 6.673579 67.14046 5.261723 -11.64426      8.498376 
1 1 1 -16 27 25 o 17.47707 7.481002 3.953696       22.78528 -2.029106      27.51488 17.01000       40.64671 17.89499 7.927117 23.70007 10.06324 -5.805086      12.81046 
1 1 1 -16 27 26 o 14.11830 6.418294 -8.202991      19.37647 -48.24281      26.40776 38.49424       28.51879 12.52672 6.160751 26.16224 9.097152 -13.63552      10.98695 
1 1 1 -16 27 27 o 39.57639 6.474818 85.10577       24.21591 68.04252       29.09205 123.6000       43.69595 33.99944 8.705145 44.89750 10.17851 -10.89806      13.39334 
1 1 1 -16 27 28 o 29.75762 6.866579 49.47300       19.59428 24.62634       26.61720 78.86700       28.95062 22.52721 8.629822 36.90125 8.225280 -14.37403      11.92179 
1 1 1 -16 27 29 o 32.77380 6.446968 59.02370       19.94467 38.84777       28.32721 78.85800       28.08636 26.05452 9.066135 37.02936 7.984169 -10.97484      12.08064 
1 1 1 -16 27 30 o 28.31933 7.443861 45.93841       20.90165 78.51000       33.09430 24.32411       26.95903 35.87114 9.336419 22.40725 8.658675 13.46389       12.73347 
1 1 1 -16 27 31 o 48.24422 4.611146 120.7405       21.51047 119.5581       30.89346 121.8531       29.96841 46.36951 7.026456 47.07100 6.692737 -0.7014809     9.703804 
1 1 1 -16 27 32 o 45.97802 4.646490 110.0748       20.62466 93.03555       29.86704 125.6065       28.51526 40.08112 7.893839 48.07278 6.204536 -7.991669      10.04037 
1 1 1 -16 27 33 o 38.53607 5.271061 79.02672       19.36198 71.81487       28.15506 85.49749       26.66927 34.68679 8.385860 38.78071 7.293326 -4.093922      11.11374 
1 1 1 -16 27 34 o 14.55966 6.372882 -0.3325660E-01 17.29424 -25.31373      24.64432 24.49591       24.27536 13.70406 6.546362 21.77843 8.265869 -8.074371      10.54417 
1 1 1 -16 27 35 o 10.57734 5.141456 -25.63082      16.86640 -4.425800      24.22179 -45.59081      23.49996 16.10212 7.262103 11.50004 5.685120 4.602082       9.222729 
1 1 1 -16 27 36 f 24.65600 7.295426 35.53856       18.84348 30.67803       27.07709 40.10322       26.24002 23.34537 8.758564 25.67500 8.733649 -2.329634      12.36888 
1 1 1 -16 27 37 o 30.31625 7.673717 54.62030       22.78821 73.15997       27.62653 15.15000       40.30978 34.77041 8.243448 22.27710 9.740682 12.49331       12.76069 
1 1 1 -16 27 38 o 22.80067 7.828514 30.02234       21.09306 37.51666       25.03203 11.67000       39.17201 24.93319 8.529196 21.57003 9.511071 3.363163       12.77527 
1 1 1 -16 27 39 o 13.40750 6.334711 -18.10967      21.85211 -18.10967      21.85211 0.000000       0.000000 13.40750 6.334711 ?        ?        ?              ?        
1 1 1 -16 27 40 o 17.00016 7.855034 -10.51732      30.65452 -22.22000      50.06150 -3.497000      38.77391 20.01241 9.494454 19.62470 8.981771 0.3877163      13.06969 
1 1 1 -16 27 41 o 12.31218 6.032917 -39.25129      24.59671 0.000000       0.000000 -39.25129      24.59671 ?        ?        12.31218 6.032917 ?              ?        
1 1 1 -16 27 42 o 14.04787 6.282235 -2.733470      17.70553 -7.565660      19.70574 17.51000       40.33324 13.98236 6.400782 22.26447 9.739145 -8.282114      11.65422 
1 1 1 -16 27 43 f 24.57607 7.292984 35.87477       18.80871 37.60004       21.19813 29.49000       40.77962 24.92784 7.812151 23.95119 10.12064 0.9766464      12.78503 
1 1 1 -16 27 44 o 16.58747 6.840829 9.369413       17.97303 16.01043       20.13805 -16.63000      39.84576 18.66842 7.403111 18.28650 8.613655 0.3819294      11.35787 
1 1 1 -16 27 45 o 27.55346 9.675129 51.84272       32.30440 25.52000       50.66912 69.87000       41.93177 23.85341 10.65016 30.41087 10.98567 -6.557459      15.30069 
1 1 1 -16 27 46 o 20.28141 8.700387 16.48128       30.94295 9.999000       47.67363 21.20000       40.67487 21.66873 9.933009 22.14430 9.730666 -0.4755764     13.90505 
1 1 1 -16 28 1  o 43.92789 4.162718 97.06609       17.68522 10.56000       56.11916 106.6044       18.63473 26.96155 11.64291 46.04783 4.179846 -19.08628      12.37046 
1 1 1 -16 28 2  o 80.60062 3.721403 323.5040       29.28045 249.4000       67.57984 340.6302       32.48823 66.72582 10.70926 82.58903 4.030985 -15.86320      11.44277 
1 1 1 -16 28 3  o 27.46888 5.852623 39.67337       15.25422 173.9000       58.70894 29.95560       15.79676 55.13222 11.26016 23.78962 6.568165 31.34259       13.03580 
1 1 1 -16 28 4  o 70.86083 3.323933 249.3190       22.99073 242.1000       64.20212 250.3809       24.62368 66.03011 10.26696 70.93826 3.557579 -4.908157      10.86586 
1 1 1 -16 28 5  o 65.86357 3.407345 215.6425       21.89216 159.4000       62.50565 223.5064       23.37261 51.84367 12.47027 67.00452 3.576623 -15.16085      12.97305 
1 1 1 -16 28 6  o 19.62328 6.445170 19.17734       14.30814 -11.55000      56.62818 21.27279       14.78797 24.65845 11.11400 20.46662 6.539001 4.191828       12.89494 
1 1 1 -16 28 7  o 57.25670 3.636467 163.5217       20.27506 90.83000       61.79290 172.2918       21.46331 39.13503 13.40038 58.74249 3.752449 -19.60746      13.91586 
1 1 1 -16 28 8  o 40.05335 4.406076 81.20177       16.98920 12.62000       57.79631 87.68814       17.77446 27.37109 11.81766 41.63219 4.429686 -14.26110      12.62059 
1 1 1 -16 28 9  o 34.41024 5.410515 61.26559       17.62268 88.21000       58.31901 58.55804       18.48692 38.53300 13.02105 33.47763 5.854698 5.055370       14.27674 
1 1 1 -16 28 10 o 26.46180 6.463398 37.37449       16.59492 0.2626000      56.90579 40.82393       17.34901 25.75621 11.40528 27.65104 6.517285 -1.894827      13.13603 
1 1 1 -16 28 11 o 51.97784 7.316017 143.1883       36.19336 175.2000       62.84315 127.3000       44.27335 54.29266 12.13124 47.55373 9.836338 6.738926       15.61795 
1 1 1 -16 28 12 o 20.97831 8.579812 12.29167       27.97057 14.58000       40.42514 10.19000       38.74129 24.21090 10.14418 23.19249 9.835169 1.018408       14.12922 
1 1 1 -16 28 13 o 50.02328 6.927601 132.0374       33.01103 143.1000       49.69359 123.3000       44.16348 49.94618 10.49854 46.59582 9.983442 3.350365       14.48752 
1 1 1 -16 28 14 o 30.03039 6.230200 47.94002       17.71258 32.42883       35.33039 53.14752       20.47106 26.33423 9.977256 31.44026 6.846385 -5.106030      12.10036 
1 1 1 -16 28 15 o 13.74480 6.068011 -3.337517      15.99053 -8.866498      33.01494 -1.642969      18.27742 18.93975 8.515619 15.05394 6.571179 3.885813       10.75622 
1 1 1 -16 28 16 o 28.88877 7.027399 45.41998       19.67854 60.88000       56.41385 43.27822       20.99743 33.06767 12.58898 28.08357 7.497913 4.984097       14.65268 
1 1 1 -16 28 17 o 23.86341 7.506736 30.48743       19.55489 36.56000       56.51030 29.66135       20.84256 29.38635 12.12569 23.69219 7.778759 5.694160       14.40630 
1 1 1 -16 28 18 o 57.28583 4.395014 166.5267       24.45592 165.7000       47.57089 166.8237       28.51226 54.01335 9.335311 56.95452 5.170726 -2.941174      10.67167 
1 1 1 -16 28 19 o 34.27908 6.178053 62.76439       19.96703 47.88007       34.20737 70.45643       24.59098 29.08488 9.969954 35.84605 7.257796 -6.761168      12.33189 
1 1 1 -16 28 20 o 21.25198 7.785718 21.69568       21.16472 45.19136       31.50380 2.368000       28.57320 28.23718 9.570066 19.00638 8.257296 9.230793       12.63998 
1 1 1 -16 28 21 o 28.06704 7.201592 43.90364       19.88111 27.76211       32.33807 53.71172       25.20773 24.30388 9.457911 30.62991 8.232061 -6.326031      12.53870 
1 1 1 -16 28 22 o 25.91258 7.553233 37.62580       20.32800 42.36533       31.59959 34.27968       26.55121 27.35818 9.571807 25.08730 8.774192 2.270878       12.98483 
1 1 1 -16 28 23 f 15.26788 6.983099 -10.74514      23.38595 -17.85114      28.14330 5.108000       42.03589 15.97803 7.432195 22.33053 9.849257 -6.352503      12.33877 
1 1 1 -16 28 24 o 54.39280 5.581038 155.5611       29.29311 73.55000       58.45805 183.0584       33.84954 33.45311 12.79570 58.75924 5.968032 -25.30613      14.11905 
1 1 1 -16 28 25 o 39.85075 5.856757 84.82900       22.16445 41.62270       29.84697 137.9491       33.09451 26.89794 9.309102 50.23103 6.914200 -23.33309      11.59593 
1 1 1 -16 28 26 o 43.53022 7.450079 106.0738       30.60314 106.0738       30.60314 0.000000       0.000000 43.53022 7.450079 ?        ?        ?              ?        
1 1 1 -16 28 27 o 28.26715 7.043284 45.05374       19.41624 45.40285       26.81477 44.66896       28.15140 27.76347 8.797860 27.53215 9.040385 0.2313271      12.61471 
1 1 1 -16 28 28 o 26.40693 7.654805 40.05737       20.93048 62.65000       34.50827 26.90866       26.32578 31.66879 9.973423 22.92027 8.628288 8.748522       13.18774 
1 1 1 -16 28 29 o 16.75396 7.112407 5.237788       20.29697 -33.10000      32.74712 29.15321       25.86418 15.65811 7.497724 23.31539 8.595794 -7.657279      11.40629 
1 1 1 -16 28 30 o 37.71127 5.666422 76.47083       20.27021 40.51327       29.32832 109.3560       28.04738 26.21803 9.217700 44.52972 6.637267 -18.31170      11.35867 
1 1 1 -16 28 31 o 34.39293 6.060595 64.74934       19.65769 39.77232       28.97702 86.04417       26.75596 25.95562 9.159205 38.91068 7.292874 -12.95506      11.70799 
1 1 1 -16 28 32 o 28.50058 6.781404 46.19556       18.64253 37.94169       27.54578 53.17125       25.32325 25.35563 8.931642 29.68163 8.361264 -4.325996      12.23458 
1 1 1 -16 28 33 o 16.00287 6.709709 6.224830       17.70451 -2.095502      26.01718 13.40064       24.16159 16.98595 7.604343 19.21717 7.929094 -2.231226      10.98620 
1 1 1 -16 28 34 o 20.48156 7.228941 22.68502       18.05112 2.893848       26.80782 39.10188       24.41579 17.92455 7.887239 25.48737 8.421612 -7.562815      11.53829 
1 1 1 -16 28 35 o 16.91444 7.314199 4.488203       22.20729 13.88678       27.01905 -15.08000      38.98653 19.78389 8.291553 18.56224 8.671855 1.221653       11.99795 
1 1 1 -16 28 36 o 20.11142 7.860097 19.32871       22.41191 17.64777       27.26610 22.83000       39.35150 20.56136 8.447083 23.17616 9.873348 -2.614798      12.99370 
1 1 1 -16 28 37 o 13.75172 6.418382 -13.57603      21.27453 -14.88725      25.47012 -10.55000      38.69265 15.00686 7.010326 18.88357 8.760006 -3.876713      11.21973 
1 1 1 -16 28 38 o 21.06403 8.660257 19.64326       28.68822 42.24000       50.34066 8.775000       34.91212 26.56802 11.23641 20.37846 8.982615 6.189558       14.38555 
1 1 1 -16 28 39 f 14.94235 6.837498 -7.742825      22.45653 32.26000       49.03589 -18.35908      25.26123 25.16957 10.87625 14.51818 6.844706 10.65138       12.85079 
1 1 1 -16 28 40 o 43.07349 10.76474 127.9000       45.25585 0.000000       0.000000 127.9000       45.25585 ?        ?        43.07349 10.76474 ?              ?        
1 1 1 -16 28 41 o 16.64966 7.719117 -11.14330      29.97628 0.4619000      46.74337 -19.25000      39.06751 21.21876 9.766650 17.98686 8.489794 3.231895       12.94079 
1 1 1 -16 28 42 o 34.86058 9.503410 80.28979       33.31100 42.17000       52.73357 105.6000       42.96945 26.33909 11.32937 38.44835 10.91253 -12.10926      15.73016 
1 1 1 -16 28 43 o 25.18941 9.541441 40.56662       32.30711 28.32000       51.60555 48.46000       41.43045 24.39158 10.82786 26.68673 10.60702 -2.295151      15.15755 
1 1 1 -16 28 44 o 23.49052 9.331247 33.08746       32.04583 15.81000       49.23139 45.79000       42.21311 22.62958 10.26512 25.99774 10.57503 -3.368156      14.73784 
1 1 1 -16 28 45 o 16.91309 7.809807 -6.643406      30.23225 -30.33000      46.94583 10.14000       39.51716 18.20859 8.784909 20.59184 9.282401 -2.383251      12.78036 
1 1 1 -16 29 1  o 22.13476 6.484335 25.80397       14.94896 89.84000       55.10599 20.71715       15.53137 38.71890 12.64460 20.31991 6.716942 18.39899       14.31793 
1 1 1 -16 29 2  o 34.53535 4.826469 61.12257       15.87051 25.12000       55.03208 64.38840       16.57471 28.29245 11.84381 35.43442 4.910569 -7.141975      12.82145 
1 1 1 -16 29 3  o 40.43554 4.380701 82.83308       17.06195 12.65000       56.46768 89.88436       17.89854 26.98948 11.66705 42.13131 4.405198 -15.14183      12.47100 
1 1 1 -16 29 4  o 25.00485 6.363306 33.35629       15.61084 60.93000       55.78151 31.01321       16.26058 33.59914 12.57831 24.11263 6.666427 9.486504       14.23570 
1 1 1 -16 29 5  o 35.48453 4.934177 64.62172       16.67500 -9.866000      56.54142 71.71750       17.45117 24.58687 11.09147 37.43112 4.879068 -12.84425      12.11718 
1 1 1 -16 29 6  o 85.16077 3.297946 360.4255       27.43896 333.1000       71.81920 365.0958       29.69137 77.58517 9.666107 85.60814 3.551018 -8.022964      10.29774 
1 1 1 -16 29 7  f 53.30088 4.232223 143.1022       21.89935 157.2000       61.69549 141.0699       23.42473 50.91079 12.47889 52.79233 4.578342 -1.881535      13.29225 
1 1 1 -16 29 8  o 36.75291 5.389660 69.89312       18.81330 -15.20000      59.52962 79.33495       19.82960 24.61320 11.21288 39.23172 5.299188 -14.61852      12.40202 
1 1 1 -16 29 9  o 12.67974 5.602468 -3.257859      13.65815 44.42000       56.21617 -6.248757      14.08004 30.91564 12.33331 12.27669 5.536826 18.63895       13.51913 
1 1 1 -16 29 10 o 20.31832 6.593433 21.06634       14.99595 -11.60000      57.38529 23.46057       15.53578 24.42539 11.08088 21.24900 6.691893 3.176392       12.94478 
1 1 1 -16 29 11 o 32.70241 5.742730 56.17192       17.71215 0.000000       0.000000 56.17192       17.71215 ?        ?        32.70241 5.742730 ?              ?        
1 1 1 -16 29 12 o 39.87386 7.420915 86.21929       27.89795 0.000000       0.000000 86.21929       27.89795 ?        ?        39.87386 7.420915 ?              ?        
1 1 1 -16 29 13 o 20.85811 8.047908 17.82701       23.26435 33.26000       54.48938 14.38662       25.72709 28.74934 11.88911 20.65822 8.308496 8.091124       14.50456 
1 1 1 -16 29 14 o 34.42944 7.583072 65.30856       24.86340 -17.07000      56.53155 85.06529       27.68480 23.44847 10.77383 39.49552 7.433946 -16.04704      13.08965 
1 1 1 -16 29 15 o 22.88184 6.858764 28.16489       16.57097 37.84000       56.18038 27.24293       17.34255 29.28781 12.08815 22.59109 7.064058 6.696722       14.00087 
1 1 1 -16 29 16 o 36.43091 5.354547 69.36926       18.52483 11.71000       57.31091 76.09636       19.57567 26.16553 11.52214 38.17066 5.389155 -12.00514      12.72017 
1 1 1 -16 29 17 o 65.51767 4.687093 219.3711       29.86000 0.000000       0.000000 219.3711       29.86000 ?        ?        65.51767 4.687093 ?              ?        
1 1 1 -16 29 18 o 27.82166 7.747595 43.60735       21.87568 24.40000       54.90697 47.23146       23.85035 26.94635 11.57510 28.81600 8.113422 -1.869648      14.13544 
1 1 1 -16 29 19 f 25.62697 7.306550 36.62305       19.22004 14.40651       30.29914 51.58221       24.86254 21.35312 8.851248 29.98060 8.225440 -8.627481      12.08315 
1 1 1 -16 29 20 o 47.69661 5.064678 118.1484       23.28432 116.6000       39.17671 118.9941       28.95291 44.57290 9.281474 47.05754 6.455732 -2.484638      11.30585 
1 1 1 -16 29 21 o 42.14776 5.425315 93.44042       21.86379 94.75738       32.30283 92.32708       29.70092 40.60765 8.404103 40.49797 7.775171 0.1096802      11.44911 
1 1 1 -16 29 22 o 18.91738 8.279520 2.176563       29.18440 2.176563       29.18440 0.000000       0.000000 18.91738 8.279520 ?        ?        ?              ?        
1 1 1 -16 29 23 o 28.61423 7.390643 46.46275       20.84456 26.26051       30.09881 65.08173       28.89533 23.40552 9.119962 33.15055 8.770581 -9.745029      12.65294 
1 1 1 -16 29 24 o 20.85300 7.939351 20.44749       22.43846 8.002545       27.33100 46.18000       39.30067 19.31567 8.228515 28.11242 10.55090 -8.796743      13.38021 
1 1 1 -16 29 25 o 14.83946 6.760472 -8.651271      21.64128 -14.63543      25.32649 7.541000       41.66076 15.31512 7.098606 22.25730 9.811562 -6.942179      12.11020 
1 1 1 -16 29 26 o 47.45818 4.782053 117.1645       21.91166 96.91897       29.92887 140.5522       32.16764 41.27185 7.691404 50.71247 6.639667 -9.440620      10.16085 
1 1 1 -16 29 27 o 33.56760 7.029972 63.55482       22.35687 55.30000       37.05434 68.28001       28.03462 29.64058 10.36546 33.86257 8.478084 -4.221985      13.39106 
1 1 1 -16 29 28 o 23.06432 7.450880 29.94191       19.16279 5.065841       28.77122 49.77561       25.69030 19.00510 8.270973 28.83175 8.515079 -9.826649      11.87079 
1 1 1 -16 29 29 o 42.13630 5.148090 94.00455       20.79247 52.31502       30.24588 131.3600       28.63054 29.03875 9.359000 49.21305 6.072148 -20.17430      11.15625 
1 1 1 -16 29 30 o 34.11475 6.126443 64.03288       19.70587 40.81797       28.85938 84.31183       26.97281 26.12273 9.146816 38.31381 7.460664 -12.19108      11.80363 
1 1 1 -16 29 31 o 41.96252 5.029369 93.33968       20.24661 68.43159       30.06933 113.9986       27.38467 33.10941 9.030456 45.47598 6.322823 -12.36657      11.02394 
1 1 1 -16 29 32 o 25.92351 7.103165 39.12293       18.55462 40.51585       28.36816 38.08153       24.52892 25.76686 9.065031 25.17558 8.444349 0.5912762      12.38878 
1 1 1 -16 29 33 o 21.40316 7.910854 24.77532       21.93048 59.23000       49.95274 16.54885       24.40856 29.19329 11.63266 19.81636 8.048489 9.376932       14.14556 
1 1 1 -16 29 34 o 21.17635 8.847285 18.24437       30.61676 11.02000       49.60529 22.69000       38.91301 22.97390 10.37405 23.03767 9.816392 -0.6377220E-01 14.28224 
1 1 1 -16 29 35 f 19.12032 8.440710 4.952272       30.93648 3.292000       49.83847 5.993000       39.45877 22.23794 10.17974 20.90203 9.360659 1.335907       13.82928 
1 1 1 -16 29 36 o 21.24183 8.055186 24.01949       23.04156 1.549000       49.93548 30.09798       25.97173 21.97038 10.10606 22.97726 8.586648 -1.006884      13.26134 
1 1 1 -16 29 37 o 23.04393 8.289738 30.96891       23.84669 25.97000       50.48973 32.40423       27.05443 24.48735 10.79769 23.54324 8.770606 0.9441109      13.91092 
1 1 1 -16 29 38 f 13.04243 6.434689 -51.10331      29.58044 -63.45000      48.09263 -43.59000      37.51622 16.89597 8.310445 15.74434 7.656464 1.151638       11.29978 
1 1 1 -16 29 39 o 20.63992 9.295368 5.273000       39.52168 0.000000       0.000000 5.273000       39.52168 ?        ?        20.63992 9.295368 ?              ?        
1 1 1 -16 29 40 o 17.94408 8.113290 -1.328363      30.45615 9.954000       47.20502 -9.374000      39.86285 22.17300 10.05548 19.03693 8.851748 3.136070       13.39650 
1 1 1 -16 29 41 o 17.59542 8.022686 -4.141001      30.55759 -13.22000      49.61121 1.409000       38.78889 20.38534 9.605095 19.95088 9.074216 0.4344654      13.21360 
1 1 1 -16 29 42 o 23.49444 9.272641 32.72039       31.45501 43.51000       50.63472 25.94000       40.13958 26.02088 11.14543 23.04700 9.898425 2.973875       14.90636 
1 1 1 -16 29 43 o 17.27695 7.921130 -4.541000      30.33443 -13.65000      48.15384 1.452000       39.05869 19.76401 9.357542 19.68563 9.011550 0.7838058E-01  12.99121 
1 1 1 -16 29 44 o 24.76395 9.388028 41.02784       31.29192 39.20000       47.98795 42.38000       41.27397 24.73929 10.72476 25.00978 10.34547 -0.2704830     14.90132 
1 1 1 -16 30 1  o 46.78693 4.043913 110.3941       18.33803 39.78000       60.12687 117.6361       19.25543 30.47847 12.53494 48.28321 4.113410 -17.80474      13.19261 
1 1 1 -16 30 2  o 26.06427 6.214494 36.38450       15.63042 -28.75000      58.26635 41.43520       16.22512 23.01844 10.70261 27.86824 6.116224 -4.849804      12.32696 
1 1 1 -16 30 3  o 21.10986 6.628350 23.23341       15.25313 47.86000       58.02392 21.40528       15.80914 31.33352 12.52001 20.51708 6.776522 10.81644       14.23629 
1 1 1 -16 30 4  o 93.60329 3.329342 436.2606       30.45535 285.3000       73.13186 467.9340       33.49829 69.96370 11.04498 96.83830 3.539979 -26.87460      11.59841 
1 1 1 -16 30 5  o 54.55363 3.790381 149.4130       20.11423 130.4000       63.10277 151.5633       21.22118 45.00480 13.35902 54.87731 3.977666 -9.872505      13.93862 
1 1 1 -16 30 6  o 19.31174 6.959133 17.31355       16.81421 49.93000       57.83541 14.30225       17.57326 31.47094 12.52455 18.59172 7.038255 12.87922       14.36668 
1 1 1 -16 30 7  o 45.22405 4.778451 104.5942       20.83306 117.6000       60.22530 102.8263       22.20383 42.76207 13.12975 44.67418 5.173174 -1.912113      14.11212 
1 1 1 -16 30 8  o 60.81658 4.860620 188.6931       28.69411 81.55000       62.56699 217.2303       32.29008 36.32647 13.37336 65.14472 5.104622 -28.81825      14.31446 
1 1 1 -16 30 9  o 57.19202 4.031416 164.9576       22.42372 0.000000       0.000000 164.9576       22.42372 ?        ?        57.19202 4.031416 ?              ?        
1 1 1 -16 30 10 o 42.40882 4.754867 92.26180       19.39840 0.000000       0.000000 92.26180       19.39840 ?        ?        42.40882 4.754867 ?              ?        
1 1 1 -16 30 11 o 46.56599 4.309505 110.2735       19.41996 75.46000       60.01416 114.3452       20.52422 34.94439 13.05392 47.35327 4.481347 -12.40888      13.80171 
1 1 1 -16 30 12 o 18.33570 6.747827 15.14003       15.92684 0.6038000      55.79712 16.42946       16.61823 24.75241 11.10451 18.89244 6.902533 5.859964       13.07498 
1 1 1 -16 30 13 o 17.96859 7.674296 4.165858       23.88158 -38.77000      56.17139 13.63920       26.38497 21.37273 10.11547 20.47685 8.348867 0.8958778      13.11588 
1 1 1 -16 30 14 o 34.40450 7.676090 66.26145       25.19291 92.56000       57.02101 59.88274       28.08247 37.35723 12.86974 32.18963 8.705082 5.167595       15.53733 
1 1 1 -16 30 15 o 26.04944 8.491962 38.03644       24.85994 8.527000       54.80598 45.68094       27.89472 25.07081 11.14230 28.17209 8.978681 -3.101280      14.30970 
1 1 1 -16 30 16 o 34.07291 5.778680 61.92132       18.58485 19.86000       54.56791 67.44047       19.76660 26.19496 11.39540 35.53666 5.888669 -9.341705      12.82698 
1 1 1 -16 30 17 o 19.04839 7.022239 16.92879       17.26104 39.32000       53.92542 14.37274       18.21963 28.48555 11.80806 18.53274 7.129577 9.952803       13.79352 
1 1 1 -16 30 18 o 35.57994 7.108490 70.24837       23.88979 -42.95000      54.14801 97.60839       26.62077 20.33205 9.710071 42.38977 6.633153 -22.05773      11.75943 
1 1 1 -16 30 19 o 30.81380 7.898208 54.51944       23.93036 2.530000       52.05018 68.45417       26.94722 23.70077 10.67120 34.46771 8.121418 -10.76694      13.41014 
1 1 1 -16 30 20 o 24.81472 9.697138 30.89192       34.10895 52.64000       52.60869 15.12000       44.80117 29.89561 11.92948 23.86090 10.35315 6.034714       15.79558 
1 1 1 -16 30 21 o 32.09309 6.791443 57.23498       20.66797 31.97000       53.53074 61.66100       22.40530 27.07323 11.52395 33.16085 7.115774 -6.087624      13.54384 
1 1 1 -16 30 22 o 37.56100 6.695555 77.79978       23.71385 0.000000       0.000000 77.79978       23.71385 ?        ?        37.56100 6.695555 ?              ?        
1 1 1 -16 30 23 o 53.12100 5.276687 148.2479       27.07449 103.7000       56.66045 161.4292       30.82081 37.95160 12.83452 55.06564 5.805433 -17.11404      14.08645 
1 1 1 -16 30 24 o 62.76183 4.864861 204.7455       29.65312 204.6000       58.59984 204.7956       34.37974 56.64266 10.96564 62.08877 5.721258 -5.446114      12.36843 
1 1 1 -16 30 25 o 25.59321 7.768307 37.90714       21.16183 16.62000       52.46243 42.04380       23.12676 24.71560 10.94739 26.76553 8.120296 -2.049936      13.63028 
1 1 1 -16 30 26 o 50.05929 5.647754 133.8489       27.19113 0.000000       0.000000 133.8489       27.19113 ?        ?        50.05929 5.647754 ?              ?        
1 1 1 -16 30 27 o 47.26316 4.979817 117.5361       22.69205 23.15000       54.21415 137.5844       24.98607 25.39405 11.19352 51.11033 5.060771 -25.71628      12.28440 
1 1 1 -16 30 28 o 22.23349 7.629836 27.48998       20.03530 12.63000       51.95979 30.08525       21.71449 23.94952 10.73228 23.08568 7.942394 0.8638420      13.35154 
1 1 1 -16 30 29 o 19.74391 7.531801 18.88214       20.21896 -1.671000      52.43487 22.47190       21.91364 22.44330 10.33532 20.92993 7.873601 1.513365       12.99278 
1 1 1 -16 30 30 o 16.82428 7.009621 8.165552       19.14087 81.99000       51.78042 -3.518757      20.59999 32.95191 12.15997 15.03939 6.747118 17.91252       13.90642 
1 1 1 -16 30 31 f 15.02202 6.557266 1.067715       18.20022 -15.75000      49.99658 3.636803       19.54098 20.62762 9.695283 15.97086 6.883379 4.656753       11.89031 
1 1 1 -16 30 32 o 19.36596 7.271432 18.94269       18.67074 -24.97000      50.55452 25.87820       20.09113 19.91387 9.474446 21.50509 7.623116 -1.591228      12.16047 
1 1 1 -16 30 33 o 25.14759 8.454046 38.35886       24.58425 27.40000       51.62638 41.57269       27.95763 24.94383 10.96168 25.91344 9.007408 -0.9696140     14.18774 
1 1 1 -16 30 34 o 16.09587 7.176454 -1.084853      22.92212 24.73000       49.27168 -8.215118      25.89497 24.27007 10.68563 15.94391 7.313163 8.326162       12.94855 
1 1 1 -16 30 35 o 25.92034 8.897692 41.96670       27.24765 17.23000       51.18253 51.75000       32.18797 23.62354 10.61372 28.07224 9.669459 -4.448709      14.35791 
1 1 1 -16 30 36 o 21.16352 7.935011 24.29824       22.21710 2.014000       50.91381 29.53954       24.69201 22.03605 10.16093 22.68599 8.392510 -0.6499367     13.17873 
1 1 1 -16 30 37 o 16.29531 7.344149 -2.933429      24.72295 0.000000       0.000000 -2.933429      24.72295 ?        ?        16.29531 7.344149 ?              ?        
1 1 1 -16 30 38 o 14.84671 7.127398 -28.87749      30.01597 -64.70000      47.99989 -5.874000      38.46441 16.72788 8.242246 19.13089 8.825065 -2.403006      12.07545 
1 1 1 -16 30 39 f 16.84588 7.794138 -9.739862      30.32930 -76.59000      47.75290 35.46000       39.26604 16.02947 7.955867 24.59392 10.12381 -8.564444      12.87584 
1 1 1 -16 30 40 o 13.47756 6.615619 -45.38209      29.98544 -35.28000      48.24676 -51.74000      38.27541 18.44757 8.901597 15.26123 7.487742 3.186343       11.63206 
1 1 1 -16 30 41 o 19.44502 8.522818 9.952420       31.02472 9.738000       49.62518 10.09000       39.75082 22.11201 10.13549 20.87147 9.367344 1.240541       13.80128 
1 1 1 -16 30 42 o 21.80278 9.034823 25.03309       31.55530 55.74000       49.04966 3.350000       41.21720 27.17490 11.26289 20.15139 9.236890 7.023506       14.56616 
1 1 1 -16 30 43 o 15.99565 7.512284 -13.64176      29.91412 -3.424000      46.95880 -20.62000      38.80718 20.16760 9.452693 17.33542 8.262671 2.832180       12.55488 
1 1 1 -16 31 1  o 41.99360 4.556640 90.26974       18.43000 108.7000       63.44777 88.57137       19.26046 40.28201 13.58157 41.48024 4.834222 -1.198231      14.41626 
1 1 1 -16 31 2  o 70.50540 3.479955 248.8686       23.94188 304.7000       71.43774 241.8041       25.41150 72.18626 10.41090 69.36691 3.756603 2.819359       11.06792 
1 1 1 -16 31 3  o 31.68424 5.771205 53.27130       17.23926 40.25000       60.77139 54.41084       17.97777 29.93568 12.48255 31.94892 5.968160 -2.013239      13.83593 
1 1 1 -16 31 4  o 12.77572 5.874388 -10.46072      16.84959 48.77000       60.44515 -15.45110      17.54505 30.97232 12.63339 12.34180 5.782525 18.63052       13.89389 
1 1 1 -16 31 5  o 30.43201 6.592588 50.32704       19.06894 -15.04000      58.13297 58.20850       20.18582 23.69514 10.90112 32.81846 6.513701 -9.123318      12.69893 
1 1 1 -16 31 6  o 49.18468 4.201305 122.8779       20.03299 78.32000       60.07490 128.4527       21.24926 35.15524 13.07467 50.22331 4.365808 -15.06807      13.78431 
1 1 1 -16 31 7  o 48.75875 4.186930 120.7931       19.78943 110.6000       60.80198 122.0008       20.92899 40.51623 13.28507 48.90212 4.420014 -8.385887      14.00106 
1 1 1 -16 31 8  o 37.94381 5.275376 75.20892       19.06380 0.000000       0.000000 75.20892       19.06380 ?        ?        37.94381 5.275376 ?              ?        
1 1 1 -16 31 9  o 27.57632 6.649910 41.72861       17.73969 0.000000       0.000000 41.72861       17.73969 ?        ?        27.57632 6.649910 ?              ?        
1 1 1 -16 31 10 o 58.84557 5.268056 179.6867       30.02316 25.14000       61.65300 227.7285       34.37430 27.80694 12.10443 66.23700 5.347261 -38.43006      13.23293 
1 1 1 -16 31 11 o 78.96233 3.511613 313.1858       27.07354 237.7000       66.95529 327.9402       29.60140 61.68113 11.51320 80.65382 3.759915 -18.97268      12.11160 
1 1 1 -16 31 12 o 40.60231 4.909496 85.62698       19.11590 6.404000       56.92960 95.69440       20.29418 25.05425 11.23008 42.94645 4.916169 -17.89220      12.25902 
1 1 1 -16 31 13 o 34.89873 5.592337 64.67828       18.45844 35.58000       54.46481 68.45409       19.61951 27.99753 11.75556 35.82490 5.792544 -7.827368      13.10522 
1 1 1 -16 31 14 o 49.03274 5.769226 127.1158       27.15989 114.6000       55.85798 130.9910       31.08143 40.92082 12.65901 49.22919 6.617640 -8.308372      14.28438 
1 1 1 -16 31 15 o 53.54087 5.409153 150.2020       27.95955 135.3000       58.76409 154.5626       31.78822 44.28321 12.82317 53.81988 6.144106 -9.536663      14.21913 
1 1 1 -16 31 16 o 17.10906 7.035226 8.209350       18.93562 -7.338000      50.52374 10.75009       20.42433 22.41813 10.25743 18.12235 7.361661 4.295776       12.62572 
1 1 1 -16 31 17 o 17.20136 7.013050 9.118382       18.61620 7.612000       51.11982 9.348701       19.98876 23.94695 10.69430 17.65094 7.239876 6.296007       12.91448 
1 1 1 -16 31 18 o 34.88232 10.11208 76.14035       36.52442 52.50000       52.53974 98.25000       50.81032 29.77595 11.90827 37.87024 12.12311 -8.094294      16.99343 
1 1 1 -16 31 19 f 31.46211 8.043934 57.62279       24.86510 57.97000       51.27580 57.51603       28.43176 30.46053 11.89357 30.96671 8.905099 -0.5061798     14.85792 
1 1 1 -16 31 20 o 26.38346 7.417179 39.75439       19.94848 -28.58000      49.52397 52.98910       21.79480 20.18776 9.537690 30.47661 7.384457 -10.28885      12.06224 
1 1 1 -16 31 21 o 43.94291 5.364188 102.1536       22.59505 -28.81000      53.43193 130.6729       24.93418 20.88454 9.878846 49.87811 5.182624 -28.99357      11.15577 
1 1 1 -16 31 22 o 32.98984 7.665440 62.81699       24.27960 34.58000       52.32986 70.56308       27.40826 26.91003 11.42192 34.64848 8.208362 -7.738449      14.06547 
1 1 1 -16 31 23 o 27.25755 7.709810 43.31847       21.48578 3.829000       51.48958 51.64437       23.64255 23.17583 10.50695 29.60751 7.978995 -6.431677      13.19319 
1 1 1 -16 31 24 o 40.29808 6.455235 89.51395       24.60338 0.000000       0.000000 89.51395       24.60338 ?        ?        40.29808 6.455235 ?              ?        
1 1 1 -16 31 25 o 25.15697 9.344614 36.51464       30.66912 0.000000       0.000000 36.51464       30.66912 ?        ?        25.15697 9.344614 ?              ?        
1 1 1 -16 31 26 o 34.21124 8.019839 69.29302       26.38596 40.27000       53.78893 78.49015       30.27943 27.25442 11.57455 35.92930 8.702882 -8.674879      14.48138 
1 1 1 -16 31 27 o 38.03462 6.074031 79.53168       21.85294 46.41000       51.86951 86.67947       24.09582 27.71421 11.54229 39.46425 6.461190 -11.75004      13.22768 
1 1 1 -16 31 28 o 37.12160 6.111784 76.23809       21.43538 -75.64000      51.64728 107.8438       23.56039 17.13511 8.462964 44.72338 5.497502 -27.58826      10.09179 
1 1 1 -16 31 29 o 20.82921 7.558500 23.45613       19.87900 10.23000       51.06500 25.81849       21.58143 23.10456 10.47022 21.64343 7.872365 1.461134       13.09960 
1 1 1 -16 31 30 o 15.51665 6.783206 1.528052       19.53875 -27.67000      50.00686 6.788612       21.22602 19.59529 9.350817 17.03691 7.254423 2.558378       11.83488 
1 1 1 -16 31 31 o 31.34352 6.850949 56.64380       20.43059 18.85000       52.23223 63.47065       22.19926 23.99504 10.75594 33.07067 7.072003 -9.075636      12.87259 
1 1 1 -16 31 32 o 19.76777 8.033210 16.79228       24.33178 -26.87000      50.16582 30.22363       27.82367 19.65403 9.375195 23.12687 8.832217 -3.472839      12.88031 
1 1 1 -16 31 33 o 33.70581 7.657254 67.91499       24.68615 43.06000       51.75959 75.23352       28.08639 26.57588 11.32263 34.94496 8.329494 -8.369081      14.05640 
1 1 1 -16 31 34 o 17.26004 7.539750 4.259287       24.10123 40.87000       49.94780 -6.852000      27.51658 26.12892 11.12713 16.52996 7.565766 9.598953       13.45562 
1 1 1 -16 31 35 o 23.18336 9.259418 29.62875       31.72311 -12.61000      49.76055 58.55000       41.17544 20.55064 9.663257 28.83519 10.80432 -8.284550      14.49524 
1 1 1 -16 31 36 o 25.44771 10.39403 39.45000       40.98340 0.000000       0.000000 39.45000       40.98340 ?        ?        25.44771 10.39403 ?              ?        
1 1 1 -16 31 37 o 39.66464 8.739321 99.22013       33.01312 72.78000       50.17802 119.4000       43.83701 30.48601 11.80412 41.07235 10.77264 -10.58633      15.98083 
1 1 1 -16 31 38 o 23.54903 9.277965 32.43629       31.44200 21.82000       50.08827 39.34000       40.39158 23.62617 10.56599 25.22291 10.31242 -1.596746      14.76435 
1 1 1 -16 31 39 o 16.17243 7.594672 -15.51774      30.56276 -38.47000      48.57945 -0.4819000     39.31911 18.19806 8.817621 19.64894 9.012201 -1.450876      12.60834 
1 1 1 -16 31 40 o 20.09159 8.640635 15.06783       30.66390 5.268000       48.89670 21.42000       39.36689 21.48098 9.923733 22.14474 9.655518 -0.6637669     13.84592 
1 1 1 -16 31 41 o 16.65646 7.731544 -8.625632      30.21029 -23.71000      46.41935 2.458000       39.79024 18.55052 8.894412 19.74128 9.058809 -1.190758      12.69538 
1 1 1 -16 31 42 f 24.48820 9.428969 40.15536       31.88675 -4.333000      49.02748 72.77000       41.97809 20.33261 9.570406 30.17587 10.97883 -9.843260      14.56459 
1 1 1 -16 32 1  o 32.60003 5.831420 56.90156       17.92478 47.28000       59.33178 57.86793       18.80341 30.00292 12.40671 32.76271 6.087442 -2.759796      13.81967 
1 1 1 -16 32 2  o 52.33179 4.100991 139.3290       20.83915 49.02000       61.37244 151.0982       22.15547 30.35973 12.59207 54.46518 4.187945 -24.10546      13.27024 
1 1 1 -16 32 3  o 38.59943 5.649329 78.89878       20.71254 89.08000       60.30992 77.53735       22.05394 36.11462 13.15650 38.01044 6.136531 -1.895817      14.51724 
1 1 1 -16 32 4  o 37.85178 5.898328 76.43175       21.14158 107.5000       59.97173 72.02285       22.59193 39.24829 13.20418 36.36503 6.589487 2.883263       14.75709 
1 1 1 -16 32 5  o 43.74813 4.668179 98.77305       19.68153 14.21000       59.12976 109.3092       20.87166 26.11386 11.59150 46.02843 4.698421 -19.91457      12.50752 
1 1 1 -16 32 6  o 70.85378 3.848460 253.8465       26.59028 0.000000       0.000000 253.8465       26.59028 ?        ?        70.85378 3.848460 ?              ?        
1 1 1 -16 32 7  o 65.08985 3.981489 214.8808       25.24540 0.000000       0.000000 214.8808       25.24540 ?        ?        65.08985 3.981489 ?              ?        
1 1 1 -16 32 8  o 44.12705 6.639010 105.6379       27.78810 -2.751000      59.51088 135.8598       31.42425 24.48173 11.17530 50.18659 6.553313 -25.70486      12.95505 
1 1 1 -16 32 9  o 52.36748 4.177165 139.9098       21.23427 46.91000       58.66701 153.9299       22.77868 29.70777 12.31562 54.89168 4.273153 -25.18391      13.03589 
1 1 1 -16 32 10 o 38.37973 5.076598 77.12787       18.60409 26.86000       55.14833 83.58310       19.76255 26.82981 11.56359 39.92395 5.179054 -13.09414      12.67041 
1 1 1 -16 32 11 f 32.22993 6.101246 56.32959       18.54330 33.22000       53.77399 59.44850       19.75502 27.40936 11.60373 33.00790 6.344839 -5.598537      13.22511 
1 1 1 -16 32 12 f 35.12855 5.814786 66.20479       19.29515 -3.697000      54.28357 76.31379       20.64326 23.37275 10.67066 37.79261 5.762416 -14.41986      12.12718 
1 1 1 -16 32 13 o 58.07200 3.952085 171.5502       22.33077 193.4000       57.97300 167.7435       24.19798 55.24115 11.10700 57.19090 4.355364 -1.949757      11.93041 
1 1 1 -16 32 14 o 18.70618 7.128529 15.52524       18.09980 -34.04000      49.46479 23.18756       19.44857 19.82065 9.413375 21.14067 7.499609 -1.320015      12.03560 
1 1 1 -16 32 15 o 21.60428 8.313200 22.08551       24.77546 51.38000       49.27956 12.17637       28.66104 29.36737 11.60135 20.33030 8.531423 9.037077       14.40057 
1 1 1 -16 32 16 o 17.00084 7.572645 -2.620581      25.45940 -71.55000      48.76743 23.20407       29.85003 17.16396 8.427504 22.59514 8.995992 -5.431173      12.32683 
1 1 1 -16 32 17 o 30.15845 7.124168 51.52435       20.69342 2.990000       49.34296 61.88226       22.79486 22.98413 10.36556 33.05055 7.246300 -10.06642      12.64728 
1 1 1 -16 32 18 o 35.23674 6.392435 68.22838       21.23623 26.81000       49.30973 77.65985       23.53020 25.67949 10.99891 37.48062 6.657658 -11.80113      12.85692 
1 1 1 -16 32 19 o 38.90710 7.176845 85.20905       26.32512 22.37000       51.05406 107.9674       30.72458 25.24866 11.00253 43.68830 7.451917 -18.43965      13.28859 
1 1 1 -16 32 20 o 25.44357 9.265119 37.27405       29.90507 12.87000       51.00250 50.06000       36.91705 24.04403 10.71348 28.40854 10.30156 -4.364504      14.86274 
1 1 1 -16 32 21 o 32.63169 6.960410 60.30196       21.55359 94.58000       52.40023 53.32145       23.64660 36.06031 12.34020 30.07850 7.922980 5.981815       14.66472 
1 1 1 -16 32 22 o 18.51424 7.472894 13.01869       20.89362 -7.844000      50.73542 17.27941       22.92810 21.80663 10.08632 19.92511 7.900002 1.881527       12.81187 
1 1 1 -16 32 23 o 44.04756 5.990690 105.5605       25.16006 0.000000       0.000000 105.5605       25.16006 ?        ?        44.04756 5.990690 ?              ?        
1 1 1 -16 32 24 o 20.60457 7.745988 21.48499       21.20128 -25.40000      55.00978 29.66425       22.97630 20.98540 9.955066 22.97124 8.151207 -1.985846      12.86645 
1 1 1 -16 32 25 o 33.38337 7.228973 64.47089       22.93650 -30.83000      53.18144 86.24857       25.42245 20.15365 9.624363 38.99670 6.913221 -18.84305      11.84994 
1 1 1 -16 32 26 o 27.78240 8.242102 47.19213       24.02561 0.000000       0.000000 47.19213       24.02561 ?        ?        27.78240 8.242102 ?              ?        
1 1 1 -16 32 27 o 41.65416 6.475874 97.21590       25.54611 33.83000       49.70708 119.9670       29.77991 25.55139 10.99511 46.04201 6.813306 -20.49062      12.93497 
1 1 1 -16 32 28 o 13.08214 6.138670 -14.66397      19.90052 -70.15000      47.07831 -2.592485      21.95884 16.36108 8.080538 15.56225 6.975099 0.7988319      10.67460 
1 1 1 -16 32 29 o 26.46487 7.597386 42.00898       20.71149 10.81000       51.42967 48.04825       22.62746 23.02038 10.46185 28.11357 7.898113 -5.093189      13.10841 
1 1 1 -16 32 30 o 20.46222 7.534238 22.42889       19.85966 -4.346000      50.00048 27.44407       21.63983 21.42440 9.945367 22.00757 7.899331 -0.5831699     12.70078 
1 1 1 -16 32 31 o 23.89402 8.402412 34.37407       24.37060 -4.949000      49.44112 46.99500       28.00981 21.16176 9.845927 27.08982 9.022483 -5.928055      13.35468 
1 1 1 -16 32 32 o 19.72303 8.013947 17.10820       24.21139 -7.120000      50.34274 24.39818       27.61466 21.08857 9.852800 21.73197 8.652510 -0.6434002     13.11273 
1 1 1 -16 32 33 o 21.69922 8.356673 25.59942       25.04993 -48.19000      49.68422 50.75000       29.00650 18.00579 8.768568 27.92237 9.177087 -9.916580      12.69278 
1 1 1 -16 32 34 o 25.43806 9.432516 40.98402       31.22356 24.74000       48.80419 52.24000       40.62580 23.96624 10.58982 27.57953 10.63669 -3.613287      15.00944 
1 1 1 -16 32 35 o 32.63059 11.10155 79.41000       42.39767 0.000000       0.000000 79.41000       42.39767 ?        ?        32.63059 11.10155 ?              ?        
1 1 1 -16 32 36 o 17.22765 7.900933 -5.872041      30.21099 10.19000       47.51736 -16.77000      39.14033 22.06986 10.04011 18.08978 8.525938 3.980078       13.17176 
1 1 1 -16 32 37 o 23.74619 9.287019 33.81015       31.30549 31.75000       49.86916 35.15000       40.21706 24.61987 10.79782 24.46069 10.17342 0.1591854      14.83548 
1 1 1 -16 32 38 o 19.08448 8.424039 8.072141       30.80698 -1.340000      49.43056 14.05000       39.39347 21.01039 9.798693 21.24142 9.443112 -0.2310295     13.60833 
1 1 1 -16 32 39 o 28.57002 9.621126 57.25041       31.83987 28.73000       50.06491 76.62000       41.25873 23.79646 10.60813 31.41501 10.94091 -7.618553      15.23929 
1 1 1 -16 32 40 o 16.37442 7.632978 -9.928371      29.93789 24.77000       46.46349 -34.56000      39.14748 22.81457 10.19162 16.29683 7.900914 6.517740       12.89549 
1 1 1 -16 32 41 o 29.85352 9.686487 64.84701       32.36614 60.86000       49.76410 67.77000       42.60949 27.16058 11.30818 28.83245 10.94928 -1.671867      15.74044 
1 1 1 -16 33 1  f 46.85203 4.603788 113.3596       20.84064 -8.264000      58.23149 131.2266       22.31898 23.60918 10.87923 50.45617 4.568580 -26.84698      11.79955 
1 1 1 -16 33 2  o 25.91295 7.459723 38.04866       19.94128 80.93000       56.85104 32.03256       21.29423 34.38711 12.73211 23.98425 7.861928 10.40285       14.96384 
1 1 1 -16 33 3  o 30.09859 6.527491 50.01253       18.67604 -28.52000      57.16018 59.39811       19.76056 21.79599 10.28207 32.95938 6.355468 -11.16339      12.08772 
1 1 1 -16 33 4  o 43.14804 4.884624 96.95804       20.26755 86.43000       58.35049 98.40247       21.61321 35.16988 12.92041 43.30079 5.203518 -8.130909      13.92888 
1 1 1 -16 33 5  o 65.22382 4.719720 219.5417       29.92823 0.000000       0.000000 219.5417       29.92823 ?        ?        65.22382 4.719720 ?              ?        
1 1 1 -16 33 6  o 44.97250 4.908842 105.3661       21.25844 0.000000       0.000000 105.3661       21.25844 ?        ?        44.97250 4.908842 ?              ?        
1 1 1 -16 33 7  o 47.24248 4.476347 115.0851       20.45271 50.51000       57.57934 124.4092       21.87954 29.70772 12.24723 49.05883 4.610361 -19.35111      13.08626 
1 1 1 -16 33 8  o 24.00194 7.164504 32.34597       18.11003 -32.40000      56.40044 39.78890       19.12265 21.26518 10.08555 26.49535 7.191114 -5.230167      12.38671 
1 1 1 -16 33 9  o 29.31362 6.604501 47.77072       18.49432 -31.69000      55.47034 57.70839       19.61675 21.14346 10.02027 32.39287 6.413883 -11.24941      11.89722 
1 1 1 -16 33 10 o 19.36996 7.027131 18.50110       17.18073 15.59000       53.77426 18.83204       18.13103 25.04766 11.08949 19.63259 7.203910 5.415071       13.22396 
1 1 1 -16 33 11 o 28.26414 6.912986 45.00104       18.96441 82.08000       55.19680 40.03817       20.19372 34.24527 12.56880 26.45022 7.471974 7.795042       14.62207 
1 1 1 -16 33 12 o 35.74046 5.982707 69.22598       20.19065 64.18000       54.02702 70.04511       21.76786 31.27292 12.20914 35.67421 6.472111 -4.401291      13.81852 
1 1 1 -16 33 13 o 35.97699 5.893220 69.94570       20.03524 120.8000       52.62543 61.32524       21.66692 41.71694 12.15099 33.07245 6.915864 8.644489       13.98126 
1 1 1 -16 33 14 o 20.31072 8.230282 16.07441       25.45572 10.32000       48.04842 18.31981       30.01405 23.49524 10.43796 21.61395 8.869161 1.881292       13.69719 
1 1 1 -16 33 15 o 34.07508 9.713840 72.78778       33.97359 90.35000       49.41876 57.05000       46.78148 35.93617 11.98479 29.91397 11.44551 6.022203       16.57211 
1 1 1 -16 33 16 o 49.60345 5.932766 132.4129       28.23490 115.0000       51.05238 140.0861       33.88961 40.53209 12.01209 50.09712 7.110626 -9.565033      13.95891 
1 1 1 -16 33 17 o 29.46789 8.554150 52.38148       26.12081 43.85000       49.73392 55.63132       30.69527 27.70991 11.39870 29.89535 9.405119 -2.185434      14.77791 
1 1 1 -16 33 18 o 22.87152 7.780271 29.37580       20.82392 -17.97000      48.75467 39.94029       23.03030 20.60954 9.650793 26.02725 8.140720 -5.417711      12.62573 
1 1 1 -16 33 19 o 54.01331 6.666842 161.3303       34.50013 132.7000       54.14424 180.9000       44.76423 42.94864 12.26936 55.32738 8.540409 -12.37874      14.94910 
1 1 1 -16 33 20 o 12.39820 6.026057 -33.30682      23.15688 -60.83000      47.25361 -24.60794      26.56546 17.16409 8.400187 14.42055 6.862910 2.743542       10.84724 
1 1 1 -16 33 21 o 29.44188 7.726619 51.18991       22.54301 0.000000       0.000000 51.18991       22.54301 ?        ?        29.44188 7.726619 ?              ?        
1 1 1 -16 33 22 o 29.52744 7.967767 52.29648       23.55758 0.000000       0.000000 52.29648       23.55758 ?        ?        29.52744 7.967767 ?              ?        
1 1 1 -16 33 23 o 19.08604 7.527555 16.27438       20.71672 -5.166000      52.43266 20.24068       22.55167 21.93594 10.18336 20.36316 7.905509 1.572783       12.89178 
1 1 1 -16 33 24 o 26.73125 7.945353 43.27646       22.30979 37.19000       52.99657 44.58737       24.59528 26.14760 11.30294 26.89107 8.413045 -0.7434654     14.09027 
1 1 1 -16 33 25 o 47.14326 5.294294 119.3606       24.00888 135.2000       55.91021 115.7794       26.58480 41.64307 12.62415 45.80273 6.079751 -4.159664      14.01187 
1 1 1 -16 33 26 o 26.19770 7.894460 41.70932       21.91048 10.68000       51.53859 48.55451       24.20691 22.96986 10.45218 28.00056 8.264544 -5.030708      13.32481 
1 1 1 -16 33 27 o 23.34601 7.813943 32.25973       21.00447 13.76000       50.81314 36.07228       23.06753 23.18242 10.48092 24.42536 8.188890 -1.242935      13.30066 
1 1 1 -16 33 28 o 31.22022 7.567391 58.22981       22.88161 0.000000       0.000000 58.22981       22.88161 ?        ?        31.22022 7.567391 ?              ?        
1 1 1 -16 33 29 o 22.45722 8.087971 29.27499       22.70760 44.71000       51.15165 25.48661       25.34153 26.60820 11.29315 21.70975 8.393355 4.898455       14.07067 
1 1 1 -16 33 30 o 32.09086 8.567824 64.95942       27.41738 59.16000       52.53055 67.13075       32.14278 28.55613 11.72736 31.71214 9.562996 -3.156008      15.13215 
1 1 1 -16 33 31 o 20.64441 8.752456 16.64630       30.66830 -30.03000      51.19624 42.77000       38.30075 19.40471 9.313662 25.84676 10.22233 -6.442053      13.82897 
1 1 1 -16 33 32 f 14.80726 6.681314 -3.856008      20.53079 -1.984000      47.18336 -4.293228      22.80264 20.95985 9.705924 15.46695 7.004104 5.492902       11.96923 
1 1 1 -16 33 33 f 22.81827 9.839240 23.29000       39.96360 0.000000       0.000000 23.29000       39.96360 ?        ?        22.81827 9.839240 ?              ?        
1 1 1 -16 33 34 o 24.31581 10.19401 34.07000       40.85933 0.000000       0.000000 34.07000       40.85933 ?        ?        24.31581 10.19401 ?              ?        
1 1 1 -16 33 35 f 23.99191 9.321851 35.14429       31.37585 11.05000       49.12064 51.75000       40.77891 22.28951 10.16631 27.19052 10.60949 -4.901018      14.69405 
1 1 1 -16 33 36 o 15.72933 7.439983 -18.73254      30.29983 -45.02000      49.15483 -2.623000      38.47985 17.82493 8.689657 19.19687 8.845191 -1.371943      12.39950 
1 1 1 -16 33 37 o 28.13429 9.671740 55.42824       32.19805 23.93000       50.58610 76.88000       41.74644 23.37800 10.52346 31.45561 11.00204 -8.077608      15.22459 
1 1 1 -16 33 38 o 22.78455 9.157387 31.40209       31.22988 52.44000       48.84947 16.86000       40.61364 26.42100 11.11573 21.42109 9.551517 4.999914       14.65575 
1 1 1 -16 33 39 o 13.94760 6.782017 -33.69279      29.41568 6.814000       45.79245 -62.15000      38.38187 20.77175 9.598735 14.36152 7.128808 6.410236       11.95640 
1 1 1 -16 34 1  o 31.26693 8.019933 57.14970       24.66185 -18.49000      53.60310 77.46000       27.77623 21.70787 10.15022 36.55810 7.986136 -14.85023      12.91531 
1 1 1 -16 34 2  o 25.70500 6.889789 37.29772       17.68670 1.741000       52.86033 41.78021       18.76847 23.37980 10.61779 27.15250 7.012863 -3.772703      12.72468 
1 1 1 -16 34 3  o 45.82159 4.603021 108.9204       20.36585 103.5000       55.85015 109.7517       21.87186 37.79707 12.74247 45.79461 4.958389 -7.997540      13.67319 
1 1 1 -16 34 4  o 53.90083 4.554494 150.2450       23.80467 0.000000       0.000000 150.2450       23.80467 ?        ?        53.90083 4.554494 ?              ?        
1 1 1 -16 34 5  o 32.78566 6.528123 59.57728       20.21316 0.000000       0.000000 59.57728       20.21316 ?        ?        32.78566 6.528123 ?              ?        
1 1 1 -16 34 6  o 26.62885 6.906237 40.11038       18.15126 70.87000       52.87112 36.00057       19.32586 32.26520 12.20958 25.11189 7.377186 7.153307       14.26523 
1 1 1 -16 34 7  f 36.13687 5.512970 69.83458       18.88389 50.26000       52.66282 72.72286       20.22916 29.08042 11.81806 36.71761 5.822635 -7.637190      13.17458 
1 1 1 -16 34 8  o 16.75040 6.809448 9.003668       17.49048 -12.79000      49.92973 12.05207       18.67371 21.46647 9.955741 17.83938 7.111080 3.627096       12.23455 
1 1 1 -16 34 9  o 23.38281 7.151246 30.81671       17.88843 -22.02000      49.05869 38.91900       19.21109 20.49482 9.623743 26.08086 7.259533 -5.586037      12.05476 
1 1 1 -16 34 10 o 28.35511 6.791388 45.36760       18.60075 -23.19000      49.57283 56.60148       20.06693 20.47205 9.632135 31.82849 6.655516 -11.35644      11.70786 
1 1 1 -16 34 11 o 62.74889 3.944185 200.9939       24.10278 128.2000       55.39979 217.9899       26.76906 42.23568 12.51211 65.16537 4.219403 -22.92970      13.20440 
1 1 1 -16 34 12 f 32.62558 6.631552 59.49957       20.45507 -15.11000      50.28016 74.29675       22.39179 21.20427 9.886930 36.65005 6.478692 -15.44578      11.82053 
1 1 1 -16 34 13 o 28.30868 8.229023 47.82187       24.15786 16.14000       50.45503 57.24521       27.51702 24.20990 10.72900 30.64359 8.744354 -6.433689      13.84107 
1 1 1 -16 34 14 o 37.27037 5.987977 75.79217       21.10518 78.69000       51.34834 75.20310       23.15113 33.11011 12.12753 36.66867 6.696856 -3.558559      13.85370 
1 1 1 -16 34 15 o 21.68610 7.555624 25.75755       19.67762 -4.538000      49.75286 31.37533       21.42451 21.91964 10.08449 23.44974 7.892136 -1.530107      12.80557 
1 1 1 -16 34 16 o 17.61028 7.621206 4.640574       24.14932 -57.85000      48.27239 25.50098       27.89029 17.56682 8.574231 22.44889 8.769846 -4.882067      12.26489 
1 1 1 -16 34 17 o 32.76715 9.427218 68.26543       31.85650 52.06000       50.68131 78.85000       40.95946 28.54338 11.59589 33.91359 10.88750 -5.370203      15.90604 
1 1 1 -16 34 18 o 15.59737 7.074325 -6.219313      23.37327 -6.095000      47.57230 -6.258870      26.83565 21.26357 9.810863 16.65005 7.562997 4.613520       12.38757 
1 1 1 -16 34 19 o 14.94383 6.666603 -2.577614      19.81016 -32.88000      47.55569 3.784772       21.79085 18.94636 9.062308 16.71746 7.237152 2.228903       11.59749 
1 1 1 -16 34 20 o 18.94193 8.185430 8.041985       27.77570 0.000000       0.000000 8.041985       27.77570 ?        ?        18.94193 8.185430 ?              ?        
1 1 1 -16 34 21 o 24.84955 7.930738 37.03316       21.75727 29.54000       53.78492 38.49924       23.79072 25.31586 11.15448 25.18737 8.312716 0.1284866      13.91128 
1 1 1 -16 34 22 o 22.93504 7.937603 30.70054       21.70019 67.52000       51.60508 22.79144       23.91758 30.15991 11.88509 21.04264 8.149065 9.117270       14.41051 
1 1 1 -16 34 23 o 48.63626 5.254086 127.1095       24.61632 116.9000       54.87852 129.6811       27.54265 38.10554 12.62720 48.57228 5.914918 -10.46674      13.94390 
1 1 1 -16 34 24 o 28.58702 7.866314 49.86824       22.70075 28.51000       52.30698 54.82453       25.19737 24.80884 10.96265 29.64826 8.336448 -4.839413      13.77229 
1 1 1 -16 34 25 o 39.89277 6.180791 88.81345       23.35476 63.75000       53.23298 94.78763       25.98957 29.34755 11.89829 40.77473 6.747609 -11.42718      13.67843 
1 1 1 -16 34 26 o 27.18954 7.820357 45.00133       21.92507 16.38000       49.01248 52.16158       24.51466 23.18672 10.40438 28.98478 8.247811 -5.798054      13.27695 
1 1 1 -16 34 27 o 24.97574 7.743394 37.86627       20.88688 83.55000       50.32920 28.36113       22.95718 32.42887 11.98454 22.18965 8.111990 10.23922       14.47182 
1 1 1 -16 34 28 o 60.31271 4.186934 189.3253       24.56443 128.1000       57.00215 203.2885       27.22178 39.21177 12.86358 62.22194 4.499985 -23.01017      13.62797 
1 1 1 -16 34 29 o 30.38629 6.951713 54.18430       20.22704 -12.08000      51.75383 66.13100       21.97488 20.75817 9.789814 33.71011 6.892579 -12.95195      11.97281 
1 1 1 -16 34 30 o 26.59443 10.44739 47.44000       39.76643 0.000000       0.000000 47.44000       39.76643 ?        ?        26.59443 10.44739 ?              ?        
1 1 1 -16 34 31 o 16.24187 8.019758 -65.83000      46.27658 -65.83000      46.27658 0.000000       0.000000 16.24187 8.019758 ?        ?        ?              ?        
1 1 1 -16 34 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 34 33 o 15.61467 7.404908 -20.51252      30.38853 -41.55000      48.77014 -7.161000      38.85283 18.02835 8.758563 18.86399 8.760260 -0.8356419     12.38768 
1 1 1 -16 34 34 o 26.16998 9.563519 45.95733       31.90348 35.60000       50.31810 52.92000       41.25609 24.87674 10.88003 27.20239 10.65466 -2.325657      15.22816 
1 1 1 -16 34 35 o 29.78344 9.679316 62.28907       32.31096 19.35000       50.74934 91.56000       41.90079 22.92903 10.40934 34.55122 11.00347 -11.62219      15.14697 
1 1 1 -16 34 36 o 30.62583 9.581095 66.19573       31.89924 80.59000       50.28152 56.50000       41.26710 30.57668 11.82250 27.33854 10.67121 3.238140       15.92627 
1 1 1 -16 34 37 o 21.61933 8.945535 26.11388       30.87146 36.26000       47.29215 18.58000       40.75194 24.05360 10.53323 21.46024 9.568449 2.593363       14.23040 
1 1 1 -16 34 38 o 20.40560 8.730466 19.49512       31.00555 19.92000       47.95863 19.19000       40.64122 22.13810 10.07717 21.39981 9.547553 0.7382927      13.88183 
1 1 1 -16 35 1  o 35.46359 5.812468 68.18002       19.47831 31.63000       50.15862 74.67070       21.13718 26.11063 11.13595 37.00523 6.043930 -10.89460      12.67038 
1 1 1 -16 35 2  o 41.20086 6.243737 92.83947       24.39197 0.000000       0.000000 92.83947       24.39197 ?        ?        41.20086 6.243737 ?              ?        
1 1 1 -16 35 3  o 22.76840 7.918609 28.77827       21.60870 0.000000       0.000000 28.77827       21.60870 ?        ?        22.76840 7.918609 ?              ?        
1 1 1 -16 35 4  o 23.09505 7.369223 30.20293       18.78619 -60.01000      49.10627 45.66951       20.33292 17.72394 8.650276 28.12486 7.317168 -10.40093      11.32997 
1 1 1 -16 35 5  o 37.71248 5.559434 76.43167       19.90725 45.01000       50.72110 82.15339       21.64399 27.87817 11.49403 38.93567 5.860697 -11.05750      12.90196 
1 1 1 -16 35 6  o 30.88920 6.624472 53.62909       19.42833 -27.35000      49.62993 68.28452       21.11331 20.00008 9.478314 35.11414 6.377658 -15.11406      11.42423 
1 1 1 -16 35 7  o 54.43626 4.593883 154.1490       24.24966 0.000000       0.000000 154.1490       24.24966 ?        ?        54.43626 4.593883 ?              ?        
1 1 1 -16 35 8  o 16.51498 6.825643 7.858491       17.94533 64.81000       47.84299 -1.465934      19.35873 30.79336 11.62302 15.05540 6.660205 15.73796       13.39601 
1 1 1 -16 35 9  o 12.38066 5.784126 -13.02153      17.34670 -63.69000      47.05677 -5.053356      18.66090 16.99238 8.329977 14.16601 6.382867 2.826372       10.49426 
1 1 1 -16 35 10 o 11.70908 5.572621 -18.54010      17.51743 67.99000       47.88936 -31.90644      18.82183 31.29144 11.66658 10.83025 5.300622 20.46119       12.81427 
1 1 1 -16 35 11 o 23.68767 8.219288 32.21508       23.27434 -3.972000      48.57100 43.00074       26.51694 21.68363 9.971559 26.62958 8.775519 -4.945955      13.28314 
1 1 1 -16 35 12 o 22.50340 7.607190 28.67267       19.90525 32.90000       48.06327 27.79751       21.86885 25.70387 10.92956 22.35368 7.950282 3.350195       13.51526 
1 1 1 -16 35 13 o 15.76096 6.857634 1.865632       19.76944 -11.75000      47.91080 4.659589       21.70323 20.77486 9.674811 16.88564 7.265691 3.889215       12.09927 
1 1 1 -16 35 14 o 21.71161 7.755458 25.86803       20.83201 23.78000       48.94033 26.33007       23.02178 24.59081 10.74305 22.03172 8.111945 2.559086       13.46168 
1 1 1 -16 35 15 o 23.14540 7.742739 30.90933       20.62376 -22.75000      50.29498 41.75571       22.61228 20.22582 9.572376 26.38299 8.034622 -6.157167      12.49742 
1 1 1 -16 35 16 o 22.49929 8.251842 28.28876       23.78512 75.18000       50.69972 15.05611       26.93290 31.80556 11.97376 20.00805 8.323764 11.79751       14.58273 
1 1 1 -16 35 17 o 25.87989 8.698340 41.19830       26.02567 71.64000       51.10883 30.54113       30.24004 31.03130 11.94019 23.46459 9.141802 7.566706       15.03798 
1 1 1 -16 35 18 o 23.52109 8.590990 32.43509       25.73975 55.36000       50.74368 24.49290       29.86747 28.33754 11.56898 22.12539 8.933204 6.212149       14.61654 
1 1 1 -16 35 19 o 44.11007 6.142050 107.9821       25.80072 0.000000       0.000000 107.9821       25.80072 ?        ?        44.11007 6.142050 ?              ?        
1 1 1 -16 35 20 o 18.48817 7.823773 10.55990       24.42962 16.22000       47.62467 8.538737       28.45910 23.03430 10.30197 19.00425 8.248698 4.030050       13.19741 
1 1 1 -16 35 21 f 22.07555 8.545146 26.68020       26.29005 -11.24000      48.43234 42.52112       31.30331 20.42865 9.582966 25.82774 9.467567 -5.399088      13.47101 
1 1 1 -16 35 22 o 19.38623 7.722226 17.33744       22.00606 -46.80000      50.72386 32.20816       24.42432 18.29597 8.898563 23.29675 8.388412 -5.000778      12.22906 
1 1 1 -16 35 23 o 15.44571 6.972006 -3.845291      22.38050 -6.127000      50.87548 -3.297786      24.92142 21.25635 9.922495 16.28665 7.353853 4.969702       12.35051 
1 1 1 -16 35 24 f 20.13161 7.854002 20.43488       22.34480 41.27000       49.28770 15.04480       25.06905 25.99030 11.06022 19.40283 8.047729 6.587467       13.67825 
1 1 1 -16 35 25 o 22.50244 7.979588 29.78897       22.01581 18.21000       47.64957 32.93172       24.82441 23.03368 10.30296 23.40774 8.453108 -0.3740597     13.32689 
1 1 1 -16 35 26 o 27.37872 7.842210 46.13384       22.09152 38.57000       49.54074 48.01123       24.68134 25.54481 10.98429 27.56124 8.394313 -2.016426      13.82458 
1 1 1 -16 35 27 o 30.73495 7.343371 56.55692       21.78910 -0.2240000     50.98031 69.24746       24.10134 21.56830 10.02248 34.03064 7.443125 -12.46234      12.48400 
1 1 1 -16 35 28 o 25.30268 8.181323 39.86777       23.10096 4.858000       49.23316 49.75171       26.15942 21.77196 10.02204 27.80958 8.672821 -6.037621      13.25365 
1 1 1 -16 35 29 o 26.96700 8.602776 46.57074       25.60305 50.98000       48.97771 44.91277       30.03338 27.06653 11.23951 26.18955 9.316659 0.8769836      14.59886 
1 1 1 -16 35 30 o 19.03947 7.822008 15.50647       23.38067 -18.69000      47.97574 26.15805       26.77553 19.45687 9.249210 21.75443 8.564613 -2.297558      12.60557 
1 1 1 -16 35 31 o 21.33861 9.510593 13.65000       40.22082 0.000000       0.000000 13.65000       40.22082 ?        ?        21.33861 9.510593 ?              ?        
1 1 1 -16 35 32 o 17.50275 8.325834 -21.74000      39.00506 0.000000       0.000000 -21.74000      39.00506 ?        ?        17.50275 8.325834 ?              ?        
1 1 1 -16 35 33 o 21.82610 9.166700 24.36403       33.13081 -19.29000      52.36645 53.50000       42.78147 19.87139 9.506082 26.96347 10.75830 -7.092085      14.35641 
1 1 1 -16 35 34 o 23.01445 10.37619 23.54000       49.40251 23.54000       49.40251 0.000000       0.000000 23.01445 10.37619 ?        ?        ?              ?        
1 1 1 -16 35 35 o 15.68306 7.417192 -16.36786      30.09718 -71.73000      46.60112 23.25000       39.42170 15.61139 7.766921 21.92987 9.609700 -6.318483      12.35603 
1 1 1 -16 35 36 f 15.67592 7.409170 -15.49425      29.94412 -59.77000      45.38393 18.64000       39.84871 15.90455 7.869420 21.25992 9.471583 -5.355364      12.31417 
1 1 1 -16 36 1  o 50.34291 6.779950 141.7312       32.56104 0.000000       0.000000 141.7312       32.56104 ?        ?        50.34291 6.779950 ?              ?        
1 1 1 -16 36 2  f 30.36147 6.943156 52.87447       20.18428 0.000000       0.000000 52.87447       20.18428 ?        ?        30.36147 6.943156 ?              ?        
1 1 1 -16 36 3  o 39.87416 5.722439 86.29327       21.69547 130.4000       49.86865 75.99625       24.09522 43.10201 11.57619 36.52680 6.993889 6.575211       13.52489 
1 1 1 -16 36 4  o 32.60386 6.934689 60.77661       21.44980 41.80000       49.10571 65.25112       23.84492 26.90541 11.21998 33.43806 7.473536 -6.532646      13.48116 
1 1 1 -16 36 5  o 24.26500 7.415152 34.29757       19.23803 19.87000       49.33581 36.88472       20.89182 24.13263 10.65605 25.01032 7.742674 -0.8776875     13.17196 
1 1 1 -16 36 6  o 26.40065 7.371747 40.85040       19.77591 -3.205000      49.88369 49.06549       21.54096 21.83274 10.06374 28.84217 7.545049 -7.009426      12.57803 
1 1 1 -16 36 7  o 42.58583 5.194313 96.73186       21.20458 38.55000       50.84924 108.9792       23.32988 26.53805 11.26140 45.08958 5.392859 -18.55153      12.48608 
1 1 1 -16 36 8  o 31.85645 8.413528 61.94278       26.62014 74.82000       48.70197 56.45641       31.78910 32.10958 11.80264 29.62885 9.598669 2.480732       15.21305 
1 1 1 -16 36 9  o 26.59791 7.988545 42.42982       22.46306 53.76000       47.42084 39.15195       25.50626 28.54200 11.34682 25.48074 8.611211 3.061264       14.24441 
1 1 1 -16 36 10 o 33.22461 6.607418 62.46772       20.73146 69.23000       49.50470 61.02958       22.82977 30.93726 11.78932 32.30174 7.382214 -1.364485      13.90989 
1 1 1 -16 36 11 o 38.61144 5.943019 81.99030       21.74174 58.19000       50.55354 87.39151       24.08273 29.02863 11.65651 39.51562 6.448495 -10.48699      13.32131 
1 1 1 -16 36 12 o 41.79633 5.626861 94.95539       22.43603 82.10000       51.72880 97.93404       24.89999 32.72689 12.13988 41.99091 6.248180 -9.264027      13.65344 
1 1 1 -16 36 13 o 26.87741 7.592091 43.23224       20.84898 33.62000       48.77970 45.38068       23.06156 25.37165 10.90457 27.26532 8.071598 -1.893671      13.56689 
1 1 1 -16 36 14 o 30.57770 8.168149 57.54184       24.91091 63.25000       49.15295 55.56897       28.89690 29.47381 11.60402 29.34585 9.109529 0.1279602      14.75252 
1 1 1 -16 36 15 f 13.61730 6.471591 -20.78644      23.45734 -0.1436000     46.59642 -27.79372      27.14830 21.20335 9.756553 14.12135 6.778967 7.082005       11.88043 
1 1 1 -16 36 16 o 15.10357 6.759620 -2.374534      20.54156 24.08000       47.08146 -8.594286      22.82897 23.86145 10.47762 14.90843 6.848676 8.953021       12.51739 
1 1 1 -16 36 17 o 25.13146 9.344936 39.45703       30.68639 0.000000       0.000000 39.45703       30.68639 ?        ?        25.13146 9.344936 ?              ?        
1 1 1 -16 36 18 o 14.11734 6.705101 -20.86250      25.10382 -28.84000      48.55426 -17.95195      29.32793 19.02872 9.116508 15.69359 7.391546 3.335139       11.73651 
1 1 1 -16 36 19 o 18.44520 7.885016 9.718148       25.25231 -8.058000      45.99625 17.38775       30.21273 20.25697 9.448931 20.70949 8.728966 -0.4525242     12.86379 
1 1 1 -16 36 20 o 26.56659 8.737888 44.76524       26.29468 65.89000       48.02235 35.71987       31.42394 29.68605 11.53304 24.32982 9.362296 5.356232       14.85475 
1 1 1 -16 36 21 f 18.03031 7.823090 7.044543       25.57877 61.53000       47.10070 -15.74559      30.46215 28.90436 11.36546 16.22296 7.606871 12.68140       13.67619 
1 1 1 -16 36 22 o 21.60356 8.101010 26.31079       23.15791 11.18000       47.06594 31.14395       26.60062 22.14921 10.04309 22.98791 8.668967 -0.8387012     13.26705 
1 1 1 -16 36 23 o 21.38796 8.029429 25.55422       22.76440 -5.698000      49.13757 34.09485       25.68729 20.85233 9.739709 23.68119 8.592257 -2.828865      12.98803 
1 1 1 -16 36 24 o 27.25589 8.073056 46.43592       23.06497 19.07000       49.91932 53.86393       26.00756 23.22102 10.45324 28.97725 8.569936 -5.756229      13.51718 
1 1 1 -16 36 25 o 35.90378 6.947787 75.26354       23.53424 53.22000       50.89074 81.26010       26.54296 27.36143 11.41703 36.73735 7.631024 -9.375925      13.73248 
1 1 1 -16 36 26 o 38.25968 6.335246 83.10685       22.89570 55.76000       50.76511 90.09000       25.65294 27.65906 11.46037 39.37009 6.908633 -11.71103      13.38168 
1 1 1 -16 36 27 o 33.82749 7.553349 69.13952       24.37699 0.6862000      49.23315 91.37175       28.05769 21.29424 9.879375 38.97209 7.628356 -17.67785      12.48174 
1 1 1 -16 36 28 o 18.12441 7.217076 14.98015       19.21459 30.67000       47.66823 11.93626       20.99588 24.10235 10.56425 17.78004 7.368946 6.322317       12.88040 
1 1 1 -16 36 29 o 22.85843 8.836728 31.21471       28.08783 0.000000       0.000000 31.21471       28.08783 ?        ?        22.85843 8.836728 ?              ?        
1 1 1 -16 36 30 o 14.38095 6.964919 -33.16988      30.22143 -56.08000      49.01678 -19.12000      38.38551 17.13259 8.419494 17.56121 8.326369 -0.4286251     11.84130 
1 1 1 -16 36 31 o 19.69713 8.582933 12.91774       31.06500 -1.541000      49.97969 22.02000       39.65545 20.84350 9.763872 22.08201 9.658204 -1.238506      13.73369 
1 1 1 -16 36 32 o 21.23473 8.919606 22.90068       31.37575 -19.83000      50.79659 49.26000       39.89622 19.42944 9.312779 26.05752 10.39173 -6.628084      13.95406 
1 1 1 -16 36 33 o 20.88922 8.838938 21.81357       31.17530 13.67000       48.12975 27.70000       40.91965 21.65885 9.947683 22.60767 9.850939 -0.9488201     13.99991 
1 1 1 -16 36 34 o 16.11673 7.832541 -34.56000      39.09233 0.000000       0.000000 -34.56000      39.09233 ?        ?        16.11673 7.832541 ?              ?        
1 1 1 -16 37 1  o 22.60789 8.629125 28.18214       26.54907 -0.1725000     46.93235 41.52568       32.19555 21.40881 9.829272 25.84466 9.579150 -4.435854      13.72497 
1 1 1 -16 37 2  o 25.22313 8.765936 38.90892       26.47817 60.11000       46.14002 28.49860       32.33187 29.23923 11.31979 23.20506 9.320616 6.034180       14.66327 
1 1 1 -16 37 3  o 18.76125 7.079930 17.35324       17.74941 -15.80000      43.89006 23.83538       19.40718 19.42048 9.114008 20.84651 7.480966 -1.426035      11.79110 
1 1 1 -16 37 4  o 40.57292 5.318843 88.76630       20.61503 8.498000       47.07237 107.8147       22.93100 22.27452 10.07742 44.74393 5.341150 -22.46941      11.40536 
1 1 1 -16 37 5  o 18.07951 7.371556 12.51853       20.56979 -9.441000      46.03259 17.99735       22.99309 20.34343 9.477041 19.80073 7.891471 0.5427055      12.33246 
1 1 1 -16 37 6  o 17.15391 7.639065 0.3548402      25.89262 -43.99000      47.89433 18.66782       30.77812 18.03719 8.743355 21.16903 8.859272 -3.131832      12.44721 
1 1 1 -16 37 7  o 23.03419 7.531500 31.17447       19.54741 23.05000       47.85701 32.80133       21.41528 23.87715 10.52116 23.50669 7.890275 0.3704662      13.15109 
1 1 1 -16 37 8  o 25.53557 7.578526 39.18906       20.30951 59.26000       47.87930 34.78534       22.42715 28.77633 11.41393 24.03919 8.074585 4.737137       13.98130 
1 1 1 -16 37 9  o 18.46203 7.331148 15.12500       19.77372 -3.096000      47.08902 19.02584       21.78778 20.95958 9.702446 19.76525 7.742518 1.194323       12.41306 
1 1 1 -16 37 10 o 16.45216 6.959753 6.856628       19.32063 -36.89000      46.38741 16.03852       21.25171 18.12331 8.740961 18.95847 7.576432 -0.8351650     11.56749 
1 1 1 -16 37 11 o 35.51355 6.505948 71.71082       21.78257 30.88000       49.66556 81.43552       24.23815 24.82996 10.83543 37.63713 6.830749 -12.80717      12.80881 
1 1 1 -16 37 12 o 46.09009 5.301539 114.7978       23.48240 75.09000       51.35221 125.2962       26.40483 30.96049 11.95392 47.77692 5.762478 -16.81643      13.27036 
1 1 1 -16 37 13 o 28.29664 8.326246 50.29034       24.60132 12.18000       48.38694 63.57627       28.56951 22.51309 10.19810 31.37977 8.895328 -8.866688      13.53248 
1 1 1 -16 37 14 o 16.86629 7.240213 6.300057       21.45513 38.59000       47.58932 -1.937372      24.03653 25.48362 10.85708 16.17621 7.270141 9.307413       13.06641 
1 1 1 -16 37 15 o 23.00599 8.008086 31.56609       22.10224 -25.78000      51.81714 44.32000       24.43674 19.76491 9.455400 26.54618 8.397021 -6.781269      12.64573 
1 1 1 -16 37 16 o 43.83744 6.360860 108.2208       26.49777 0.000000       0.000000 108.2208       26.49777 ?        ?        43.83744 6.360860 ?              ?        
1 1 1 -16 37 17 o 15.37255 6.892828 -2.223613      21.46725 11.30000       47.21156 -5.748469      24.10309 22.26358 10.08044 15.64813 7.131104 6.615452       12.34779 
1 1 1 -16 37 18 o 25.50435 8.771698 41.34218       26.48520 35.87000       47.62186 43.79277       31.86850 25.04098 10.76858 25.90556 9.543118 -0.8645763     14.38865 
1 1 1 -16 37 19 o 32.11638 8.501104 65.60091       27.13858 99.18000       47.66227 49.49144       33.01269 35.44612 11.76848 27.06953 9.751639 8.376593       15.28370 
1 1 1 -16 37 20 o 24.49985 8.683202 37.51508       26.06651 32.73000       46.02364 39.77494       31.62838 24.49180 10.55988 25.00064 9.447288 -0.5088387     14.16906 
1 1 1 -16 37 21 o 42.01938 7.056389 103.1359       27.99501 61.20000       48.65586 123.8890       34.22813 28.46563 11.43384 45.06726 8.054834 -16.60163      13.98617 
1 1 1 -16 37 22 f 17.61805 7.534092 8.548771       23.06941 -7.748000      45.61801 14.14864       26.74080 20.01233 9.359471 19.40148 8.196672 0.6108570      12.44127 
1 1 1 -16 37 23 o 19.56245 7.841578 18.27326       22.83619 2.788000       45.84542 23.38329       26.33591 20.99841 9.667826 21.13550 8.438272 -0.1370926     12.83243 
1 1 1 -16 37 24 o 16.85049 7.286413 5.877430       22.03806 5.447000       47.26416 5.997008       24.91189 21.43542 9.849753 17.57777 7.672278 3.857653       12.48525 
1 1 1 -16 37 25 o 20.85859 8.312829 22.81106       25.51328 -36.58000      47.59196 46.76251       30.22310 18.07142 8.749405 26.42395 9.351369 -8.352530      12.80626 
1 1 1 -16 37 26 o 17.15372 7.525417 4.871958       24.23790 -42.03000      48.18776 20.75690       28.04362 17.78096 8.653774 20.69691 8.541269 -2.915951      12.15899 
1 1 1 -16 37 27 o 24.55191 7.697015 37.31620       20.57610 -48.20000      49.50058 55.17841       22.62318 17.64176 8.626239 29.85878 7.693048 -12.21702      11.55833 
1 1 1 -16 37 28 o 22.50511 8.841996 29.92951       28.48698 0.000000       0.000000 29.92951       28.48698 ?        ?        22.50511 8.841996 ?              ?        
1 1 1 -16 37 29 o 32.93148 9.683220 76.49738       33.28346 31.78000       51.58059 108.4000       43.56738 24.05217 10.74176 37.48130 11.09375 -13.42914      15.44205 
1 1 1 -16 37 30 o 22.97870 9.251462 32.77052       31.93424 53.86000       49.50437 17.74000       41.79242 26.43562 11.15965 21.55035 9.643532 4.885269       14.74908 
1 1 1 -16 37 31 o 26.45215 9.607129 50.47416       32.12442 10.28000       49.24467 80.25000       42.38476 21.38322 9.906743 31.19927 11.07098 -9.816048      14.85632 
1 1 1 -16 37 32 o 27.20424 9.547825 54.37194       31.45728 70.41000       48.20924 42.48000       41.51267 28.27196 11.37247 24.39058 10.25340 3.881380       15.31226 
1 1 1 -16 37 33 o 21.77577 9.905492 20.92000       46.23967 20.92000       46.23967 0.000000       0.000000 21.77577 9.905492 ?        ?        ?              ?        
1 1 1 -16 38 1  f 16.05476 6.829884 5.894548       18.78406 -43.45000      44.54532 16.56654       20.71597 17.24081 8.374723 18.93297 7.508405 -1.692163      11.24776 
1 1 1 -16 38 2  f 16.73472 6.935672 9.219130       18.59930 -24.41000      44.82636 16.21263       20.44198 18.65092 8.887078 18.79590 7.457129 -0.1449776     11.60125 
1 1 1 -16 38 3  o 15.59529 7.215930 -10.35054      26.00164 -84.90000      43.91823 29.88315       32.26395 14.81832 7.398855 23.15502 9.307246 -8.336699      11.88982 
1 1 1 -16 38 4  o 17.90283 8.110484 -1.629038      30.61300 -12.44000      44.25004 8.295000       42.39608 19.51586 9.156397 21.26694 9.598114 -1.751087      13.26512 
1 1 1 -16 38 5  o 24.51427 7.562600 36.29777       19.95181 30.32000       45.32279 37.73465       22.22072 24.24413 10.46628 24.78609 8.024733 -0.5419617     13.18861 
1 1 1 -16 38 6  o 21.46840 7.756453 26.31692       20.90434 48.87000       45.11481 20.15089       23.58952 26.84418 10.92756 20.19500 8.011176 6.649181       13.54956 
1 1 1 -16 38 7  f 18.16595 7.392941 13.51245       20.64293 -13.86000      44.67233 20.94433       23.27722 19.42785 9.141713 20.32146 7.990077 -0.8936119     12.14135 
1 1 1 -16 38 8  o 15.74733 6.855815 3.030802       19.78391 -14.99000      44.92645 7.366066       22.03550 19.37012 9.130924 17.19746 7.358998 2.172661       11.72726 
1 1 1 -16 38 9  o 36.13971 6.336646 74.08875       21.59876 41.01000       48.28401 82.36369       24.14968 25.77182 10.95641 37.78386 6.778853 -12.01203      12.88393 
1 1 1 -16 38 10 o 52.22036 4.732764 144.7231       23.92898 107.2000       52.18559 154.7129       26.92656 36.18849 12.31644 53.58317 5.199156 -17.39468      13.36884 
1 1 1 -16 38 11 o 26.81249 8.459396 45.47789       24.81577 30.97000       47.75046 50.84613       29.04635 24.49427 10.65764 27.81543 9.185337 -3.321163      14.06967 
1 1 1 -16 38 12 o 17.39745 7.350739 8.978382       21.50954 54.81000       47.03014 -3.144182      24.18749 27.75427 11.20838 16.02897 7.240452 11.72531       13.34361 
1 1 1 -16 38 13 o 20.55514 7.724945 22.96660       21.08261 33.51000       46.49503 20.23775       23.65409 24.67849 10.62686 20.20423 8.019787 4.474258       13.31342 
1 1 1 -16 38 14 o 24.50457 8.541484 37.56350       25.14926 0.000000       0.000000 37.56350       25.14926 ?        ?        24.50457 8.541484 ?              ?        
1 1 1 -16 38 15 o 12.50882 6.000669 -22.71002      21.18874 -9.831000      46.93974 -26.00589      23.74567 20.04246 9.412050 13.07609 6.293322 6.966375       11.32222 
1 1 1 -16 38 16 o 27.71404 7.932992 47.80583       22.61320 22.39000       47.49429 55.25648       25.71500 23.28554 10.35927 29.38823 8.474447 -6.102682      13.38397 
1 1 1 -16 38 17 o 16.36003 7.163926 3.385579       21.87437 35.18000       45.55545 -6.141688      24.93728 24.65471 10.56619 15.74993 7.206373 8.904783       12.78969 
1 1 1 -16 38 18 o 14.50766 6.866905 -18.66972      25.89670 -15.95000      45.92890 -19.93738      31.35643 19.32100 9.145131 15.91286 7.539155 3.408144       11.85210 
1 1 1 -16 38 19 o 28.73460 8.790207 54.03639       27.02538 77.52000       47.69104 42.92820       32.80017 31.10118 11.63302 25.52299 9.626010 5.578190       15.09925 
1 1 1 -16 38 20 f 23.57946 8.087884 34.24135       22.51237 11.39000       45.65304 41.58334       25.87741 21.77725 9.881080 25.43692 8.672722 -3.659668      13.14731 
1 1 1 -16 38 21 o 21.07423 8.437901 23.29772       26.41017 -3.800000      44.77992 37.75053       32.70342 20.14974 9.373457 24.42467 9.509413 -4.274935      13.35255 
1 1 1 -16 38 22 o 28.24389 8.038669 50.32605       23.28475 74.86000       45.72184 41.73486       27.05620 30.69333 11.40803 25.34905 8.857831 5.344286       14.44314 
1 1 1 -16 38 23 f 21.42740 7.991939 26.70199       22.47696 19.18000       44.90166 29.21711       25.96424 22.37390 10.00511 22.23159 8.521617 0.1423092      13.14231 
1 1 1 -16 38 24 o 29.65844 8.756201 58.17649       27.16973 84.25000       47.52330 45.51603       33.11551 31.91511 11.67073 25.82526 9.686673 6.089851       15.16699 
1 1 1 -16 38 25 o 25.89515 8.016519 42.49674       22.39583 -24.09000      50.67484 58.65947       24.96640 19.30526 9.265975 30.29744 8.214104 -10.99218      12.38264 
1 1 1 -16 38 26 o 28.57729 8.067401 52.31469       23.54851 0.000000       0.000000 52.31469       23.54851 ?        ?        28.57729 8.067401 ?              ?        
1 1 1 -16 38 27 o 14.79065 6.623563 -1.018528      19.75504 -48.46000      50.54722 7.534193       21.46201 17.58522 8.623227 16.80785 7.228623 0.7773705      11.25225 
1 1 1 -16 38 28 o 18.06335 8.183103 2.590975       31.16249 31.03000       48.56779 -17.31000      40.62825 23.48276 10.45957 17.83093 8.486302 5.651829       13.46922 
1 1 1 -16 38 29 o 29.43733 9.712147 63.98088       32.47613 94.12000       49.76218 41.62000       42.86261 32.10410 11.90725 24.38586 10.34332 7.718237       15.77235 
1 1 1 -16 38 30 o 22.27794 9.085916 31.27018       31.26047 -0.5645000     48.08736 54.57000       41.13931 20.06113 9.453595 26.20943 10.51845 -6.148298      14.14243 
1 1 1 -16 38 31 o 24.05635 10.58686 41.78000       48.31548 41.78000       48.31548 0.000000       0.000000 24.05635 10.58686 ?        ?        ?              ?        
1 1 1 -16 39 1  o 20.02543 7.636005 21.11878       20.77676 -9.151000      44.99650 29.32128       23.42324 19.86471 9.292076 22.37086 8.191416 -2.506149      12.38717 
1 1 1 -16 39 2  o 43.82235 5.883562 106.5343       24.60020 30.36000       47.31678 134.7513       28.79828 24.30503 10.59173 49.11025 6.123518 -24.80522      12.23447 
1 1 1 -16 39 3  o 37.08092 6.018419 77.01899       21.09609 37.77000       45.70816 87.64280       23.78043 25.16055 10.67691 39.28371 6.404923 -14.12317      12.45068 
1 1 1 -16 39 4  o 20.74028 8.448643 20.70875       26.99007 -20.09000      43.60631 46.04483       34.36336 18.67880 8.861592 26.30228 9.867095 -7.623480      13.26225 
1 1 1 -16 39 5  o 30.07351 7.697317 55.31313       22.75117 9.766000       44.97737 70.97457       26.37421 21.67208 9.823159 33.86619 8.071131 -12.19411      12.71368 
1 1 1 -16 39 6  o 48.22042 5.001439 124.8999       23.26411 50.98000       47.87217 147.7541       26.61860 26.98434 11.15006 52.21991 5.280129 -25.23557      12.33708 
1 1 1 -16 39 7  f 17.99570 7.476484 12.02705       21.68710 2.185000       43.60973 15.26079       24.99727 20.62508 9.471476 19.29558 8.022535 1.329500       12.41249 
1 1 1 -16 39 8  o 21.41061 8.074418 25.97476       23.07743 -11.62000      44.09359 40.15773       27.08291 19.38565 9.109472 25.04519 8.853280 -5.659538      12.70288 
1 1 1 -16 39 9  o 17.22461 7.469804 6.248008       23.29705 46.27000       44.99168 -8.414188      27.23218 26.15080 10.80788 16.08109 7.420830 10.06971       13.11026 
1 1 1 -16 39 10 o 17.80084 7.629668 8.829396       23.75748 -46.18000      45.52879 29.41228       27.84971 17.10916 8.345629 22.53257 8.774656 -5.423405      12.10967 
1 1 1 -16 39 11 o 39.74216 6.133269 89.02937       23.09194 36.18000       48.94681 104.1598       26.18970 24.93721 10.82085 42.73645 6.462340 -17.79923      12.60368 
1 1 1 -16 39 12 o 26.08235 8.543303 43.69605       25.14726 0.000000       0.000000 43.69605       25.14726 ?        ?        26.08235 8.543303 ?              ?        
1 1 1 -16 39 13 o 29.70073 8.387999 56.52996       25.45195 0.000000       0.000000 56.52996       25.45195 ?        ?        29.70073 8.387999 ?              ?        
1 1 1 -16 39 14 o 19.94861 7.799098 20.63253       22.07151 11.17000       47.33399 23.26160       24.94999 21.91852 9.990409 20.89102 8.254235 1.027498       12.95919 
1 1 1 -16 39 15 o 12.34875 5.945695 -24.17019      21.24572 -55.18000      45.66464 -15.60333      24.00167 16.56188 8.136524 14.23738 6.699818 2.324495       10.53995 
1 1 1 -16 39 16 f 30.88857 7.596081 58.47236       22.80396 -10.80000      46.97067 79.83553       26.08433 19.83832 9.346931 36.28616 7.588428 -16.44784      12.03949 
1 1 1 -16 39 17 f 33.68107 7.108551 67.47858       22.69805 61.80000       47.14721 69.19182       25.89668 28.34080 11.29852 33.27482 8.041253 -4.934017      13.86789 
1 1 1 -16 39 18 o 27.70183 8.723944 50.37298       26.40355 6.913000       44.94477 73.27598       32.62725 21.13591 9.672175 32.60860 9.587023 -11.47269      13.61844 
1 1 1 -16 39 19 o 24.17040 8.653183 37.27391       25.94898 13.75000       44.37963 49.49408       31.98657 21.70123 9.804666 26.78162 9.604982 -5.080389      13.72542 
1 1 1 -16 39 20 o 21.77893 8.011925 28.22960       22.44952 -4.027000      44.73584 39.08685       25.95411 19.93100 9.304055 24.58412 8.668908 -4.653120      12.71674 
1 1 1 -16 39 21 o 17.91860 7.831073 7.502732       26.02599 -5.342000      44.74440 14.07052       31.99527 19.79198 9.260639 20.02015 8.717281 -0.2281761     12.71811 
1 1 1 -16 39 22 o 16.01283 7.403145 -8.096368      27.28709 -40.56000      45.64328 9.959589       34.03992 17.30824 8.423368 19.76269 8.782329 -2.454451      12.16891 
1 1 1 -16 39 23 o 17.00221 7.402772 6.325052       23.07068 35.76000       46.19363 -3.457030      26.62969 24.20288 10.50709 16.38305 7.477352 7.819832       12.89612 
1 1 1 -16 39 24 o 15.16628 6.862965 -2.541935      21.84556 -5.546000      46.42607 -1.687646      24.75766 19.82538 9.325862 16.09832 7.293280 3.727058       11.83907 
1 1 1 -16 39 25 o 27.27388 8.488874 49.71182       25.07497 0.000000       0.000000 49.71182       25.07497 ?        ?        27.27388 8.488874 ?              ?        
1 1 1 -16 39 26 o 16.28034 7.189233 3.955453       22.45952 6.235000       47.11093 3.284977       25.54988 20.69328 9.622248 16.90306 7.553742 3.790230       12.23302 
1 1 1 -16 39 27 o 17.79286 8.074839 2.961430       30.50661 -48.19000      46.40259 41.90000       40.48586 16.59075 8.160870 24.22517 10.15108 -7.634424      13.02476 
1 1 1 -16 39 28 o 16.27459 7.615367 -9.188537      30.26626 -26.77000      46.56044 3.677000       39.82938 17.87087 8.652730 19.33432 8.940660 -1.463444      12.44207 
1 1 1 -16 40 1  o 26.40228 8.179426 44.26920       23.31047 0.000000       0.000000 44.26920       23.31047 ?        ?        26.40228 8.179426 ?              ?        
1 1 1 -16 40 2  o 32.79906 6.777339 63.05471       21.03840 6.822000       45.73614 78.14669       23.69399 21.25484 9.737978 36.52204 6.880249 -15.26720      11.92334 
1 1 1 -16 40 3  o 15.16954 6.786140 -1.211804      20.67848 56.56000       43.63677 -17.94195      23.48251 27.64511 10.91821 13.79058 6.530893 13.85453       12.72242 
1 1 1 -16 40 4  o 23.16334 7.790430 32.80945       20.87603 24.83000       45.23392 34.96899       23.53201 23.15356 10.21446 23.69858 8.262174 -0.5450211     13.13768 
1 1 1 -16 40 5  o 14.36920 6.837926 -20.95235      26.36171 -43.84000      42.82533 -6.988721      33.45025 16.63721 8.110703 17.69282 8.185765 -1.055609      11.52347 
1 1 1 -16 40 6  o 14.47035 6.869286 -19.72656      26.28264 6.433000       43.56021 -34.70146      32.95769 20.89361 9.546423 14.99240 7.263991 5.901206       11.99582 
1 1 1 -16 40 7  o 15.82426 6.910312 3.315546       20.23090 23.67000       45.05899 -1.823718      22.64134 22.97780 10.16318 15.65123 7.043253 7.326570       12.36518 
1 1 1 -16 40 8  o 22.62890 8.807560 30.29657       28.04736 -20.12000      46.61258 58.91000       35.11570 19.00740 9.058470 28.68419 10.08613 -9.676796      13.55676 
1 1 1 -16 40 9  o 29.69574 8.249072 56.28402       24.83260 -15.13000      47.19954 83.61749       29.20071 19.49019 9.238621 36.32941 8.382098 -16.83922      12.47444 
1 1 1 -16 40 10 o 17.09651 7.213356 9.225662       20.66533 -28.88000      45.21922 19.28502       23.23344 18.10919 8.707707 19.74997 7.911965 -1.640781      11.76535 
1 1 1 -16 40 11 o 26.91106 8.461299 46.90940       24.84726 0.000000       0.000000 46.90940       24.84726 ?        ?        26.91106 8.461299 ?              ?        
1 1 1 -16 40 12 o 25.30263 7.988286 40.32011       22.12534 29.19000       46.66948 43.54694       25.12877 23.71926 10.42290 25.91936 8.542789 -2.200092      13.47650 
1 1 1 -16 40 13 o 25.71193 7.905861 41.55106       21.82598 63.71000       46.17109 35.17439       24.76811 28.58216 11.24850 23.67834 8.456625 4.903826       14.07278 
1 1 1 -16 40 14 o 23.66641 8.056058 34.92952       22.32688 20.95000       46.58818 39.09745       25.43840 22.72282 10.17400 24.66208 8.590820 -1.939260      13.31587 
1 1 1 -16 40 15 o 14.00245 6.496182 -9.883352      21.28458 14.02000       44.18473 -17.10628      24.28842 21.62634 9.775802 14.08880 6.663169 7.537533       11.83064 
1 1 1 -16 40 16 o 20.67222 7.883740 24.15252       22.14872 -7.816000      44.63382 34.59641       25.51137 19.52513 9.171898 23.40496 8.552133 -3.879829      12.54044 
1 1 1 -16 40 17 o 16.54663 7.222476 5.001349       22.07828 -5.281000      44.72892 8.313567       25.38643 19.74424 9.245008 17.88713 7.777007 1.857107       12.08106 
1 1 1 -16 40 18 o 41.42964 6.392609 98.75092       25.09052 24.82000       48.43192 125.8715       29.33377 23.12893 10.36328 46.60007 6.616736 -23.47115      12.29548 
1 1 1 -16 40 19 o 17.93096 7.841543 7.716629       26.13258 53.88000       46.83832 -13.14853      31.48932 26.71283 11.03258 16.45260 7.720758 10.26023       13.46581 
1 1 1 -16 40 20 o 14.38815 6.718365 -11.47972      23.35109 -13.25000      46.33536 -10.87705      27.03524 19.19347 9.114134 15.51840 7.240443 3.675070       11.64008 
1 1 1 -16 40 21 o 16.71937 7.871262 -13.24181      33.19374 -45.21000      45.94916 21.65000       48.00432 16.88588 8.268101 22.46510 10.16889 -5.579224      13.10602 
1 1 1 -16 40 22 o 21.15830 8.422585 25.98536       26.16191 27.31000       46.77190 25.38220       31.56103 22.86260 10.21837 21.46303 8.975995 1.399572       13.60087 
1 1 1 -16 40 23 o 16.17181 7.379145 -2.267173      25.91441 0.000000       0.000000 -2.267173      25.91441 ?        ?        16.17181 7.379145 ?              ?        
1 1 1 -16 40 24 o 24.78287 8.103993 40.75328       22.63184 41.34000       47.09486 40.57710       25.80708 24.16869 10.54899 24.38178 8.640025 -0.2130928     13.63566 
1 1 1 -16 40 25 o 19.52172 8.538898 15.64388       31.00066 14.12000       44.75008 17.05000       42.98621 20.86625 9.586743 21.00289 9.552648 -0.1366425     13.53361 
1 1 1 -16 40 26 o 15.53829 7.386691 -16.28418      30.60466 -18.61000      44.08231 -14.12000      42.52286 17.90843 8.607658 18.00388 8.600015 -0.9544945E-01 12.16766 
1 1 1 -16 41 1  o 23.74411 7.646874 34.80642       20.19430 59.12000       45.47430 28.83371       22.53863 27.78902 11.09038 21.96285 8.036332 5.826166       13.69595 
1 1 1 -16 41 2  o 20.38852 7.506074 23.58636       19.71035 -13.75000      44.56685 32.66506       21.97646 19.09140 9.028125 23.01166 7.986713 -3.920254      12.05382 
1 1 1 -16 41 3  o 12.63882 5.939730 -13.37907      18.75546 -33.24000      43.94228 -8.954926      20.73946 17.50057 8.457067 13.96133 6.454482 3.539245       10.63872 
1 1 1 -16 41 4  o 24.87590 8.364876 39.66586       24.06828 0.000000       0.000000 39.66586       24.06828 ?        ?        24.87590 8.364876 ?              ?        
1 1 1 -16 41 5  f 25.97786 8.256091 43.36119       23.59918 13.43000       44.32529 55.20179       27.87896 21.61747 9.779675 28.67346 8.955026 -7.055994      13.26026 
1 1 1 -16 41 6  o 22.01995 9.243162 25.31362       33.65784 13.05000       44.63425 41.48000       51.24663 21.60171 9.789013 25.29386 11.02273 -3.692148      14.74196 
1 1 1 -16 41 7  o 26.45546 9.780610 48.83702       33.52582 32.78000       44.28273 70.40000       51.31641 23.88785 10.32907 29.10921 11.72483 -5.221357      15.62566 
1 1 1 -16 41 8  o 20.65994 7.809759 24.22708       21.61852 -34.49000      44.30372 42.57733       24.76732 17.43497 8.441375 25.56856 8.483268 -8.133595      11.96757 
1 1 1 -16 41 9  o 23.01389 8.874006 32.88537       28.27250 0.000000       0.000000 32.88537       28.27250 ?        ?        23.01389 8.874006 ?              ?        
1 1 1 -16 41 10 o 21.98392 8.724742 28.22918       27.99087 0.000000       0.000000 28.22918       27.99087 ?        ?        21.98392 8.724742 ?              ?        
1 1 1 -16 41 11 o 16.88810 7.261282 7.565015       21.64586 -42.40000      44.27883 23.25513       24.81282 16.85578 8.223837 20.65381 8.208811 -3.798033      11.61964 
1 1 1 -16 41 12 o 19.26782 7.677166 18.74360       21.75587 -50.14000      44.78394 40.02155       24.89025 16.47990 8.088457 24.76739 8.504008 -8.287493      11.73632 
1 1 1 -16 41 13 o 15.50162 6.941260 -0.3326428     21.68973 14.60000       45.27596 -4.780328      24.70963 21.66005 9.832756 15.68838 7.176399 5.971667       12.17308 
1 1 1 -16 41 14 o 27.58220 8.122069 49.08858       23.40224 11.42000       47.24242 61.33771       26.93984 21.55691 9.884073 30.40824 8.643935 -8.851330      13.13059 
1 1 1 -16 41 15 o 25.69051 8.221850 42.85007       23.37143 -29.81000      46.72458 67.09539       26.99053 18.08727 8.735707 32.01010 8.480173 -13.92283      12.17481 
1 1 1 -16 41 16 o 17.21207 7.424877 8.322611       22.77537 11.55000       45.74638 7.259022       26.26140 21.24255 9.734856 17.77317 7.814033 3.469378       12.48305 
1 1 1 -16 41 17 o 16.94537 7.341835 7.434780       22.46292 -17.60000      45.61669 15.44856       25.80896 18.62984 8.901306 19.05317 8.051209 -0.4233379     12.00230 
1 1 1 -16 41 18 o 16.80051 7.361677 5.924960       23.13269 -15.89000      45.81487 13.38950       26.79975 18.73565 8.943276 18.80323 8.082102 -0.6758118E-01 12.05415 
1 1 1 -16 41 19 o 18.39037 8.425126 1.773150       34.22880 -22.07000      45.69687 32.25000       51.66420 18.18480 8.746505 23.48975 10.59890 -5.304951      13.74183 
1 1 1 -16 41 20 o 17.51674 7.781371 6.312756       26.69787 21.36000       44.79742 -1.975533      33.24734 21.78424 9.845629 17.71273 8.182937 4.071505       12.80222 
1 1 1 -16 41 21 o 16.87428 7.583884 3.181626       26.15593 22.37000       45.43333 -6.330602      31.98870 21.80140 9.878206 16.91561 7.886863 4.885798       12.64047 
1 1 1 -16 41 22 f 23.77162 8.772480 39.22254       26.94950 0.000000       0.000000 39.22254       26.94950 ?        ?        23.77162 8.772480 ?              ?        
1 1 1 -16 41 23 o 30.58126 9.732987 71.38238       32.78775 44.17000       46.54796 98.18000       46.19186 24.13057 10.51067 32.72626 11.56274 -8.595692      15.62598 
1 1 1 -16 42 1  o 17.86093 7.300021 13.88558       20.23199 21.61000       45.38124 11.96944       22.60251 22.35404 10.02264 17.91145 7.549814 4.442587       12.54803 
1 1 1 -16 42 2  o 21.92250 7.676719 29.37510       20.32843 35.14000       45.83134 27.96317       22.68164 23.98436 10.43845 21.56773 8.031386 2.416630       13.17059 
1 1 1 -16 42 3  o 24.37021 7.765833 37.55666       20.86825 0.4635000E-01  46.52173 47.00555       23.34915 20.33767 9.491930 26.90140 8.158774 -6.563723      12.51648 
1 1 1 -16 42 4  o 13.72555 6.641179 -29.51506      27.31198 -66.73000      44.83914 -7.563317      34.43762 15.55572 7.718765 17.61864 8.204115 -2.062928      11.26441 
1 1 1 -16 42 5  o 47.53178 6.126820 128.6581       27.84297 70.36000       50.47923 154.1497       33.37978 28.76205 11.61327 51.24404 6.824273 -22.48199      13.46992 
1 1 1 -16 42 6  o 19.43156 7.963163 18.14070       24.15498 0.000000       0.000000 18.14070       24.15498 ?        ?        19.43156 7.963163 ?              ?        
1 1 1 -16 42 7  o 18.29898 8.054263 8.139595       27.97348 -12.85000      46.13811 20.34029       35.17629 19.20580 9.112660 21.19567 9.185397 -1.989861      12.93878 
1 1 1 -16 42 8  o 19.24355 9.267808 -23.56000      51.69885 0.000000       0.000000 -23.56000      51.69885 ?        ?        19.24355 9.267808 ?              ?        
1 1 1 -16 42 9  o 16.70313 7.301292 5.619922       22.63337 -36.72000      46.41384 18.82928       25.92468 17.51158 8.515933 19.76905 8.190360 -2.257469      11.81538 
1 1 1 -16 42 10 o 36.27660 7.552527 81.41373       25.94495 11.86000       48.06794 110.0077       30.82001 21.46034 9.887331 42.07575 7.769472 -20.61541      12.57474 
1 1 1 -16 42 11 o 39.90894 6.454402 92.97979       24.35320 58.41000       48.93935 104.3576       28.07625 26.77858 11.18656 41.58072 7.156375 -14.80214      13.27979 
1 1 1 -16 42 12 f 19.33336 7.747538 19.48353       22.28515 -13.19000      45.08093 30.05004       25.63661 18.82060 8.952184 22.00377 8.459153 -3.183174      12.31661 
1 1 1 -16 42 13 o 36.06752 6.911353 78.21358       23.51188 38.65000       48.22266 90.55188       26.92967 24.11782 10.59658 38.30553 7.450604 -14.18771      12.95372 
1 1 1 -16 42 14 o 20.92488 8.051071 26.23724       23.23626 7.057000       46.52093 32.61293       26.82162 20.61701 9.578272 22.51152 8.652941 -1.894512      12.90801 
1 1 1 -16 42 15 o 24.25699 8.253639 39.17863       23.43515 -2.048000      45.73757 53.85527       27.28962 19.65474 9.248972 27.71750 8.885757 -8.062754      12.82576 
1 1 1 -16 42 16 o 29.42233 8.071267 57.25421       23.94097 31.87000       46.25978 66.54032       27.97943 22.93741 10.21288 30.95037 8.812816 -8.012960      13.48957 
1 1 1 -16 42 17 o 21.74481 8.698739 29.96355       28.04293 -35.42000      45.20212 70.87458       35.75565 17.00549 8.299558 29.86766 10.19429 -12.86217      13.14558 
1 1 1 -16 42 18 o 15.52902 7.258276 -8.725154      27.36592 1.340000       43.33080 -15.40360      35.29589 19.35906 9.075797 16.59103 7.900041 2.768030       12.03249 
1 1 1 -16 42 19 o 16.62547 7.546504 1.266859       26.66081 40.26000       45.15223 -19.60502      33.03436 23.63886 10.32321 15.76136 7.542694 7.877497       12.78518 
1 1 1 -16 42 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -16 43 1  o 33.24683 6.901514 66.84109       21.72362 89.25000       48.04768 61.08330       24.35509 31.47222 11.69515 30.63387 8.027163 0.8383503      14.18492 
1 1 1 -16 43 2  o 22.95932 7.810664 33.71878       20.98698 26.52000       47.54451 35.46091       23.38899 22.64348 10.19669 23.30034 8.228217 -0.6568623     13.10252 
1 1 1 -16 43 3  o 16.91973 7.363003 7.391729       22.79830 32.10000       45.60011 -0.8426726     26.32454 23.15107 10.23266 16.44931 7.479189 6.701761       12.67460 
1 1 1 -16 43 4  o 21.09680 8.141191 26.87093       23.80930 -22.47000      44.80778 46.28339       28.10541 17.97985 8.651275 25.68158 9.023930 -7.701729      12.50103 
1 1 1 -16 43 5  o 20.83680 7.803574 26.26983       21.47435 -66.97000      45.18379 53.47598       24.40706 15.41305 7.664872 28.28262 8.285518 -12.86957      11.28716 
1 1 1 -16 43 6  o 37.13660 7.409785 85.53283       25.99027 0.000000       0.000000 85.53283       25.99027 ?        ?        37.13660 7.409785 ?              ?        
1 1 1 -16 43 7  o 29.38535 8.322407 57.92234       25.01937 0.000000       0.000000 57.92234       25.01937 ?        ?        29.38535 8.322407 ?              ?        
1 1 1 -16 43 8  o 15.82023 7.343659 -7.010190      27.25896 -29.81000      45.02464 6.182345       34.24907 17.42528 8.453927 18.79516 8.539986 -1.369881      12.01667 
1 1 1 -16 43 9  o 17.77611 8.262295 -3.185395      34.67832 0.000000       0.000000 -3.185395      34.67832 ?        ?        17.77611 8.262295 ?              ?        
1 1 1 -16 43 10 o 16.10687 7.094027 4.795999       21.73391 -27.33000      45.90601 14.07743       24.67451 17.65532 8.558646 18.35603 7.819011 -0.7007084     11.59256 
1 1 1 -16 43 11 o 13.21182 6.495488 -40.52140      29.27483 -53.28000      43.06442 -29.56000      39.91629 15.56821 7.696203 16.42511 7.966635 -0.8569040     11.07695 
1 1 1 -16 43 12 o 14.86535 6.830058 -4.485355      22.71841 24.17000       43.42744 -15.28226      26.65698 21.66619 9.751890 14.63688 6.939508 7.029303       11.96897 
1 1 1 -16 43 13 f 20.09521 7.904335 24.12121       22.78839 36.82000       45.02525 19.74801       26.42254 23.10120 10.19114 19.49586 8.187021 3.605341       13.07236 
1 1 1 -16 43 14 o 18.76966 7.769082 17.88813       23.29642 -16.80000      44.75211 30.78243       27.28488 18.03635 8.670091 21.73160 8.617409 -3.695242      12.22416 
1 1 1 -16 43 15 o 18.12088 7.945315 11.44709       26.98457 21.70000       44.62735 5.537936       33.87976 21.34493 9.717970 18.39819 8.411124 2.946741       12.85247 
1 1 1 -16 44 1  o 24.63603 7.956244 40.97004       21.85145 7.388000       46.73143 50.36731       24.72046 20.13343 9.434465 26.83403 8.440040 -6.700598      12.65873 
1 1 1 -16 44 2  o 23.57681 8.246246 38.07448       23.45230 11.91000       45.69154 47.43305       27.32653 20.42926 9.491546 25.54022 8.903478 -5.110952      13.01389 
1 1 1 -16 44 3  o 19.35347 7.923760 20.64654       23.88846 -28.86000      45.28872 39.72999       28.11818 17.23797 8.389490 23.58959 8.909070 -6.351618      12.23744 
1 1 1 -16 44 4  o 24.50430 8.028661 40.80429       22.20813 94.64000       46.98835 25.31950       25.20041 31.45248 11.58765 20.43127 8.220987 11.02121       14.20769 
1 1 1 -16 44 5  o 23.77686 8.539063 39.58571       25.29063 0.000000       0.000000 39.58571       25.29063 ?        ?        23.77686 8.539063 ?              ?        
1 1 1 -16 44 6  o 16.67305 7.204526 8.953243       21.51493 27.69000       46.03979 3.718300       24.33560 22.00318 9.959332 16.38997 7.344732 5.613214       12.37471 
1 1 1 -16 44 7  o 25.11563 8.181269 43.32282       23.07639 18.31000       46.23610 51.62044       26.63034 21.07688 9.705756 26.76347 8.793014 -5.686590      13.09652 
1 1 1 -16 44 8  o 30.58362 7.852606 61.90198       23.62708 39.90000       47.54626 69.11668       27.22668 23.36427 10.38133 31.47338 8.596600 -8.109112      13.47863 
1 1 1 -16 44 9  o 17.17554 8.085249 -6.556489      35.00818 30.35000       46.62140 -54.27000      53.00962 22.14834 10.02383 16.93150 8.399907 5.216835       13.07806 
1 1 1 -15 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  4  o 238.9980 6.792247 2806.919       158.6061 2806.919       158.6061 2806.919       158.6061 238.9980 6.792247 238.9980 6.792247 0.000000       0.000000 
1 1 1 -15 0  5  o 67.16518 4.401412 223.7683       28.64717 223.7683       28.64717 223.7683       28.64717 67.16518 4.401412 67.16518 4.401412 -0.000000      0.000000 
1 1 1 -15 0  6  o 104.0157 4.336501 532.6403       43.97652 532.6403       43.97652 532.6403       43.97652 104.0157 4.336501 104.0157 4.336501 -0.000000      0.000000 
1 1 1 -15 0  7  o 83.10979 4.297250 340.9954       34.74366 340.9954       34.74366 340.9954       34.74366 83.10979 4.297250 83.10979 4.297250 0.000000       0.000000 
1 1 1 -15 0  8  o 379.8144 10.25610 7105.752       380.6654 7105.752       380.6654 7105.752       380.6654 379.8144 10.25610 379.8144 10.25610 0.000000       0.000000 
1 1 1 -15 0  9  o 98.53716 4.349471 478.3484       41.76451 478.3484       41.76451 478.3484       41.76451 98.53716 4.349471 98.53716 4.349471 0.000000       0.000000 
1 1 1 -15 0  10 o 210.2873 6.169368 2173.402       126.7398 2173.402       126.7398 2173.402       126.7398 210.2873 6.169368 210.2873 6.169368 0.000000       0.000000 
1 1 1 -15 0  11 o 86.03596 4.417949 365.4476       36.98035 365.4476       36.98035 365.4476       36.98035 86.03596 4.417949 86.03596 4.417949 0.000000       0.000000 
1 1 1 -15 0  12 o 150.4937 4.989063 1113.385       73.30939 1113.385       73.30939 1113.385       73.30939 150.4937 4.989063 150.4937 4.989063 -0.000000      0.000000 
1 1 1 -15 0  13 o 19.15679 9.968572 26.26348       24.31396 26.26348       24.31396 26.26348       24.31396 19.15679 9.968572 19.15679 9.968572 0.000000       0.000000 
1 1 1 -15 0  14 o 178.6106 5.532206 1568.288       96.50875 1568.288       96.50875 1568.288       96.50875 178.6106 5.532206 178.6106 5.532206 -0.000000      0.000000 
1 1 1 -15 0  15 o 93.62766 4.518609 432.4924       41.19013 432.4924       41.19013 432.4924       41.19013 93.62766 4.518609 93.62766 4.518609 -0.000000      0.000000 
1 1 1 -15 0  16 o 255.1268 7.238491 3202.806       180.4342 3202.806       180.4342 3202.806       180.4342 255.1268 7.238491 255.1268 7.238491 -0.000000      0.000000 
1 1 1 -15 0  17 o 36.86068 8.753084 76.94555       27.41292 76.94555       27.41292 76.94555       27.41292 36.86068 8.753084 36.86068 8.753084 -0.000000      0.000000 
1 1 1 -15 0  18 o 90.71244 4.674724 406.4681       41.25474 406.4681       41.25474 406.4681       41.25474 90.71244 4.674724 90.71244 4.674724 -0.000000      0.000000 
1 1 1 -15 0  19 o 246.9892 7.078146 3002.639       170.8033 3002.639       170.8033 3002.639       170.8033 246.9892 7.078146 246.9892 7.078146 0.000000       0.000000 
1 1 1 -15 0  20 o 117.4067 4.819983 679.0818       55.17898 679.0818       55.17898 679.0818       55.17898 117.4067 4.819983 117.4067 4.819983 -0.000000      0.000000 
1 1 1 -15 0  21 o 166.8638 7.930607 1378.000       128.8619 1378.000       128.8619 1378.000       128.8619 166.8638 7.930607 166.8638 7.930607 0.000000       0.000000 
1 1 1 -15 0  22 o 55.24331 11.71367 169.2000       55.70194 169.2000       55.70194 169.2000       55.70194 55.24331 11.71367 55.24331 11.71367 -0.000000      0.000000 
1 1 1 -15 0  23 o 123.7852 7.376998 761.2000       88.64912 761.2000       88.64912 761.2000       88.64912 123.7852 7.376998 123.7852 7.376998 -0.000000      0.000000 
1 1 1 -15 0  24 o 114.3609 4.804357 644.7496       53.56342 644.7496       53.56342 644.7496       53.56342 114.3609 4.804357 114.3609 4.804357 -0.000000      0.000000 
1 1 1 -15 0  25 o 35.42442 11.26844 78.08000       34.39049 78.08000       34.39049 78.08000       34.39049 35.42442 11.26844 35.42442 11.26844 0.000000       0.000000 
1 1 1 -15 0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  27 o 258.5619 10.43624 3331.000       263.1483 3331.000       263.1483 3331.000       263.1483 258.5619 10.43624 258.5619 10.43624 -0.000000      0.000000 
1 1 1 -15 0  28 o 41.85595 7.511769 94.13591       27.82906 94.13591       27.82906 94.13591       27.82906 41.85595 7.511769 41.85595 7.511769 0.000000       0.000000 
1 1 1 -15 0  29 o 100.5742 4.624206 499.8484       45.30301 499.8484       45.30301 499.8484       45.30301 100.5742 4.624206 100.5742 4.624206 -0.000000      0.000000 
1 1 1 -15 0  30 o 41.59112 7.462026 93.11005       27.47134 93.11005       27.47134 93.11005       27.47134 41.59112 7.462026 41.59112 7.462026 0.000000       0.000000 
1 1 1 -15 0  31 o 73.22208 4.944920 267.3113       35.06429 267.3113       35.06429 267.3113       35.06429 73.22208 4.944920 73.22208 4.944920 -0.000000      0.000000 
1 1 1 -15 0  32 o 88.42671 4.753754 388.0688       40.87245 388.0688       40.87245 388.0688       40.87245 88.42671 4.753754 88.42671 4.753754 -0.000000      0.000000 
1 1 1 -15 0  33 o 15.61136 9.478603 11.76711       26.94409 11.76711       26.94409 11.76711       26.94409 15.61136 9.478603 15.61136 9.478603 0.000000       0.000000 
1 1 1 -15 0  34 o 75.77602 5.301466 287.5322       38.87185 287.5322       38.87185 287.5322       38.87185 75.77602 5.301466 75.77602 5.301466 -0.000000      0.000000 
1 1 1 -15 0  35 o 112.5541 4.914512 628.7472       53.90819 628.7472       53.90819 628.7472       53.90819 112.5541 4.914512 112.5541 4.914512 -0.000000      0.000000 
1 1 1 -15 0  36 o 22.16595 11.09931 37.02911       29.45636 37.02911       29.45636 37.02911       29.45636 22.16595 11.09931 22.16595 11.09931 0.000000       0.000000 
1 1 1 -15 0  37 o 124.5545 5.140453 771.4269       62.42785 771.4269       62.42785 771.4269       62.42785 124.5545 5.140453 124.5545 5.140453 0.000000       0.000000 
1 1 1 -15 0  38 o 32.88807 11.23476 71.04636       32.45882 71.04636       32.45882 71.04636       32.45882 32.88807 11.23476 32.88807 11.23476 0.000000       0.000000 
1 1 1 -15 0  39 o 18.31140 10.65664 22.05030       31.48014 22.05030       31.48014 22.05030       31.48014 18.31140 10.65664 18.31140 10.65664 0.000000       0.000000 
1 1 1 -15 0  40 o 53.67999 7.306553 152.1884       36.38174 152.1884       36.38174 152.1884       36.38174 53.67999 7.306553 53.67999 7.306553 -0.000000      0.000000 
1 1 1 -15 0  41 o 19.66573 11.07729 28.17551       32.44984 28.17551       32.44984 28.17551       32.44984 19.66573 11.07729 19.66573 11.07729 0.000000       0.000000 
1 1 1 -15 0  42 o 39.69496 10.25151 94.91489       34.42093 94.91489       34.42093 94.91489       34.42093 39.69496 10.25151 39.69496 10.25151 -0.000000      0.000000 
1 1 1 -15 0  43 o 21.43738 13.26585 27.11000       55.11286 27.11000       55.11286 27.11000       55.11286 21.43738 13.26585 21.43738 13.26585 -0.000000      0.000000 
1 1 1 -15 0  44 o 26.08215 14.68461 57.44000       56.99109 57.44000       56.99109 57.44000       56.99109 26.08215 14.68461 26.08215 14.68461 0.000000       0.000000 
1 1 1 -15 0  45 o 98.04955 5.403517 486.4478       51.49692 486.4478       51.49692 486.4478       51.49692 98.04955 5.403517 98.04955 5.403517 0.000000       0.000000 
1 1 1 -15 0  46 o 30.43566 13.71117 74.56000       43.77499 74.56000       43.77499 74.56000       43.77499 30.43566 13.71117 30.43566 13.71117 0.000000       0.000000 
1 1 1 -15 0  47 o 39.49049 13.63275 110.3000       47.46404 110.3000       47.46404 110.3000       47.46404 39.49049 13.63275 39.49049 13.63275 -0.000000      0.000000 
1 1 1 -15 0  48 o 9.650741 6.955465 -54.21532      32.92976 -54.21532      32.92976 -54.21532      32.92976 9.650741 6.955465 9.650741 6.955465 -0.000000      0.000000 
1 1 1 -15 0  49 f 39.54052 11.05803 99.78751       37.03299 99.78751       37.03299 99.78751       37.03299 39.54052 11.05803 39.54052 11.05803 -0.000000      0.000000 
1 1 1 -15 0  50 o 22.73119 11.97008 43.80796       35.37020 43.80796       35.37020 43.80796       35.37020 22.73119 11.97008 22.73119 11.97008 -0.000000      0.000000 
1 1 1 -15 0  51 o 14.85027 9.651993 4.133427       33.65814 4.133427       33.65814 4.133427       33.65814 14.85027 9.651993 14.85027 9.651993 -0.000000      0.000000 
1 1 1 -15 0  52 o 17.35867 10.57344 19.94676       33.76122 19.94676       33.76122 19.94676       33.76122 17.35867 10.57344 17.35867 10.57344 -0.000000      0.000000 
1 1 1 -15 0  53 o 83.71471 5.579609 360.7702       45.24749 360.7702       45.24749 360.7702       45.24749 83.71471 5.579609 83.71471 5.579609 -0.000000      0.000000 
1 1 1 -15 0  54 o 28.76737 12.27035 65.65498       35.17175 65.65498       35.17175 65.65498       35.17175 28.76737 12.27035 28.76737 12.27035 0.000000       0.000000 
1 1 1 -15 0  55 o 18.12528 11.69244 14.44000       48.15485 14.44000       48.15485 14.44000       48.15485 18.12528 11.69244 18.12528 11.69244 -0.000000      0.000000 
1 1 1 -15 0  56 o 12.79774 8.721708 -12.34062      33.67712 -12.34062      33.67712 -12.34062      33.67712 12.79774 8.721708 12.79774 8.721708 -0.000000      0.000000 
1 1 1 -15 0  57 o 22.49554 13.54850 45.07000       54.13437 45.07000       54.13437 45.07000       54.13437 22.49554 13.54850 22.49554 13.54850 -0.000000      0.000000 
1 1 1 -15 0  58 o 39.61008 14.06344 119.9000       49.63364 119.9000       49.63364 119.9000       49.63364 39.61008 14.06344 39.61008 14.06344 0.000000       0.000000 
1 1 1 -15 0  59 o 20.55045 12.51562 36.21000       47.28679 36.21000       47.28679 36.21000       47.28679 20.55045 12.51562 20.55045 12.51562 -0.000000      0.000000 
1 1 1 -15 1  1  o 285.0391 7.894232 3996.696       220.0402 4113.000       317.3410 3889.000       305.3718 288.4052 11.26296 280.4597 11.14597 7.945465       15.84572 
1 1 1 -15 1  2  o 301.5028 8.280092 4473.709       244.1301 4380.000       340.3655 4573.000       350.3554 297.5032 11.71108 303.9721 11.79762 -6.468842      16.62327 
1 1 1 -15 1  3  o 264.2793 6.023521 3427.049       155.8188 3851.000       291.5172 3257.480       184.3655 279.1804 10.68749 257.3969 7.325076 21.78351       12.95682 
1 1 1 -15 1  4  o 241.6378 4.827233 2862.443       114.1746 2920.429       163.5634 2807.337       159.4496 243.7685 6.861748 239.0039 6.822709 4.764572       9.676412 
1 1 1 -15 1  5  o 247.5807 4.928582 3005.315       119.4387 3041.484       170.3051 2970.306       167.5522 248.7416 7.001729 245.8163 6.970627 2.925278       9.879972 
1 1 1 -15 1  6  o 98.75342 3.008684 478.0591       29.04880 520.2991       42.22987 440.1215       40.02143 102.9527 4.199409 94.66441 4.330636 8.288315       6.032367 
1 1 1 -15 1  7  o 188.4001 3.998760 1739.344       73.74159 1782.633       105.6479 1698.216       102.9761 190.5251 5.671348 185.9560 5.664043 4.569122       8.015334 
1 1 1 -15 1  8  o 270.5243 5.323431 3589.987       140.9627 3616.654       200.4317 3563.887       198.2883 271.1052 7.560430 269.1237 7.534709 1.981537       10.67389 
1 1 1 -15 1  9  o 113.3321 3.130206 629.6125       34.69094 633.8436       49.04642 625.3767       49.07438 113.6233 4.418372 112.8581 4.451113 0.7652512      6.271716 
1 1 1 -15 1  10 o 108.7696 3.131420 579.9946       33.30449 562.0552       47.01508 598.0636       47.18471 106.9754 4.500058 110.3650 4.376487 -3.389595      6.277273 
1 1 1 -15 1  11 o 282.6886 5.535829 3921.934       153.1783 3966.792       218.3412 3878.458       214.9521 283.7921 7.867714 280.6198 7.833253 3.172241       11.10229 
1 1 1 -15 1  12 o 69.15473 3.318791 234.8372       22.39951 272.3482       32.08101 199.1551       31.28921 74.39796 4.425350 63.51259 5.075213 10.88536       6.733610 
1 1 1 -15 1  13 o 36.70961 5.079736 67.36997       17.76410 72.05962       24.58937 62.25059       25.69131 37.69743 6.918806 34.88525 7.727535 2.812183       10.37230 
1 1 1 -15 1  14 o 184.6679 3.986891 1671.792       72.06628 1630.135       100.6144 1715.679       103.2718 182.1132 5.651172 186.8345 5.653511 -4.721329      7.993618 
1 1 1 -15 1  15 o 301.8943 5.883295 4477.485       173.8528 4412.746       243.5152 4544.786       248.2840 299.0227 8.327964 303.4551 8.366866 -4.432373      11.80506 
1 1 1 -15 1  16 o 284.8561 5.594175 3985.564       155.9796 3889.917       217.1459 4087.527       224.2002 280.8056 7.908103 287.8387 7.965228 -7.033112      11.22421 
1 1 1 -15 1  17 o 54.98971 3.939443 149.0237       21.06375 141.5531       29.42510 156.8752       30.16598 53.37345 5.721498 56.24189 5.551969 -2.868446      7.972446 
1 1 1 -15 1  18 o 78.66865 3.407839 303.8921       26.17915 317.8250       37.27844 290.3347       36.77256 80.33176 4.762308 76.74924 4.920823 3.582512       6.847925 
1 1 1 -15 1  19 o 215.8481 4.491628 2286.191       94.89825 2220.594       131.8696 2356.653       136.6720 212.3576 6.351244 218.7641 6.389441 -6.406540      9.009066 
1 1 1 -15 1  20 o 216.8694 5.233462 2310.375       111.0947 2248.876       133.3351 2450.000       200.9046 213.6775 6.382144 222.2679 9.254612 -8.590408      11.24187 
1 1 1 -15 1  21 o 21.98045 8.312492 17.19640       24.49747 27.37391       28.44357 -12.04000      48.20867 25.39802 9.063323 24.08426 10.58799 1.313751       13.93734 
1 1 1 -15 1  22 f 154.3189 5.419198 1172.207       81.73082 1114.000       113.0260 1236.000       118.3257 149.9886 7.724661 158.0204 7.672904 -8.031708      10.88778 
1 1 1 -15 1  23 o 180.5754 4.714965 1602.815       83.26675 1683.000       149.4604 1566.727       100.2688 184.2075 8.310605 178.3402 5.751469 5.867279       10.10671 
1 1 1 -15 1  24 o 178.9796 4.699023 1574.970       82.25104 1691.000       149.5076 1524.611       98.49617 184.5800 8.296292 175.8969 5.728415 8.683029       10.08183 
1 1 1 -15 1  25 o 150.3922 4.121755 1111.479       60.61833 1176.000       106.9407 1080.933       73.58136 154.0873 7.109547 148.1521 5.081561 5.935165       8.738874 
1 1 1 -15 1  26 o 171.9632 4.429872 1454.389       74.50252 1415.000       125.2352 1475.965       92.68799 168.8146 7.598447 173.0108 5.480145 -4.196243      9.368479 
1 1 1 -15 1  27 f 91.15897 4.597734 409.8253       40.89263 409.8253       40.89263 0.000000       0.000000 91.15897 4.597734 ?        ?        ?              ?        
1 1 1 -15 1  28 o 120.8637 3.766967 718.4813       44.51060 685.7631       54.01537 787.7000       78.56596 117.9161 4.689267 125.9863 6.391847 -8.070168      7.927480 
1 1 1 -15 1  29 f 76.64191 3.368670 289.0715       25.20976 257.4526       34.30072 326.2148       37.17666 72.09270 4.889712 81.22415 4.696070 -9.131454      6.779555 
1 1 1 -15 1  30 o 60.29771 3.765309 179.5644       22.11234 189.6131       30.98903 169.1406       31.56199 61.72701 5.176565 58.18797 5.610973 3.539040       7.634123 
1 1 1 -15 1  31 o 56.30853 4.844240 157.8549       26.44040 188.6730       31.57895 85.59000       48.35696 61.50131 5.297315 40.15693 11.63360 21.34438       12.78288 
1 1 1 -15 1  32 o 36.40189 5.711234 67.38767       19.68076 53.05796       28.07655 81.23034       27.59529 31.82364 8.744869 39.62339 7.386715 -7.799749      11.44711 
1 1 1 -15 1  33 o 50.33767 4.567330 126.4182       22.25940 133.6789       31.53607 119.2093       31.42332 51.31699 6.418236 48.29958 6.837596 3.017414       9.377978 
1 1 1 -15 1  34 o 13.38563 6.171980 -14.00700      18.78308 -16.65599      26.12146 -11.17088      27.02831 16.07191 7.361874 17.16427 7.712171 -1.092365      10.66184 
1 1 1 -15 1  35 o 75.24370 3.640485 280.2975       26.73283 300.8755       37.97261 260.0770       37.64143 77.56787 5.028391 71.98135 5.381391 5.586525       7.365058 
1 1 1 -15 1  36 o 20.29353 7.631145 16.28110       20.58034 26.35896       28.57141 5.413620       29.66963 24.56938 9.038541 20.58380 8.661595 3.985577       12.51872 
1 1 1 -15 1  37 o 64.26138 4.153156 205.8262       25.98379 184.9728       36.28787 227.7685       37.22323 60.21446 6.247478 67.08573 5.723228 -6.871269      8.472680 
1 1 1 -15 1  38 o 17.72020 7.437613 4.022029       21.78970 -6.328060      30.40371 14.95215       31.24404 18.85080 8.342573 22.62831 9.136575 -3.777519      12.37237 
1 1 1 -15 1  39 o 43.62506 5.753685 97.58338       23.97065 98.92294       33.53493 96.18393       34.27648 42.95921 8.275224 42.21606 8.587584 0.7431450      11.92585 
1 1 1 -15 1  40 f 44.64796 5.702207 102.3118       24.35219 110.6703       34.44952 93.96333       34.42887 45.50204 8.028102 41.53779 8.744843 3.964249       11.87109 
1 1 1 -15 1  41 o 49.56535 5.231619 125.3050       24.99920 110.3641       34.99146 140.8818       35.72848 45.18830 8.213424 51.67614 7.263696 -6.487843      10.96456 
1 1 1 -15 1  42 o 34.97665 8.475301 67.82257       28.70826 65.20702       33.39423 75.23000       56.19839 33.91950 9.617780 35.88974 12.74677 -1.970242      15.96815 
1 1 1 -15 1  43 o 18.14848 7.973009 -1.954009      27.29358 -6.282294      31.61875 10.70000       54.06308 18.82225 8.407836 25.94626 11.31407 -7.124008      14.09609 
1 1 1 -15 1  44 f 49.58558 6.724452 130.8478       31.79729 40.99000       57.24460 170.9436       38.23901 29.92257 12.26024 56.54630 7.062241 -26.62373      14.14880 
1 1 1 -15 1  45 o 28.53130 9.949699 45.56569       34.12764 0.000000       0.000000 45.56569       34.12764 ?        ?        28.53130 9.949699 ?              ?        
1 1 1 -15 1  46 o 57.49940 4.900747 169.9392       27.31976 157.2947       38.71279 182.4838       38.55960 53.58432 7.593367 58.29301 6.890940 -4.708694      10.25399 
1 1 1 -15 1  47 o 50.48044 5.980543 134.6140       28.97746 144.7202       36.24103 116.7000       48.25034 51.40005 7.417646 43.07376 11.30400 8.326290       13.52043 
1 1 1 -15 1  48 f 21.82290 8.590542 20.38090       26.93506 24.93049       33.62214 12.23000       45.00306 23.84762 9.529918 23.79783 10.35065 0.4978371E-01  14.06966 
1 1 1 -15 1  49 o 40.84346 6.650490 90.87246       25.67385 98.29110       36.52428 83.62672       36.09614 40.59144 9.380822 37.04696 9.803260 3.544479       13.56848 
1 1 1 -15 1  50 o 19.53987 7.969325 13.34093       24.04964 38.70387       34.45142 -10.76620      33.58767 26.33517 9.879667 18.26054 8.358219 8.074636       12.94093 
1 1 1 -15 1  51 o 66.00243 4.423223 224.0611       28.41127 239.3139       40.42033 209.1663       39.94312 66.64156 6.270208 61.87990 6.701387 4.761654       9.177369 
1 1 1 -15 1  52 o 42.09067 6.407431 96.83702       25.56644 72.05659       35.86641 122.4354       36.45357 33.68469 10.08911 45.78564 8.445061 -12.10095      13.15710 
1 1 1 -15 1  53 o 49.02877 5.468907 127.7180       25.79931 145.3226       37.02550 111.1039       35.96892 50.47717 7.740296 43.12681 8.818483 7.350353       11.73362 
1 1 1 -15 1  54 o 70.89615 4.873374 261.9824       33.61311 214.0135       41.41270 354.6000       57.54412 62.16958 6.922618 79.38070 7.494654 -17.21112      10.20257 
1 1 1 -15 1  55 o 16.26600 7.268263 -3.042561      23.64837 33.63010       33.74473 -38.43582      33.15088 24.88195 9.667439 15.26713 7.369842 9.614825       12.15623 
1 1 1 -15 1  56 o 33.42456 8.832381 68.49661       29.32660 66.55119       35.46970 72.70000       52.13752 31.98953 10.11626 31.99057 12.12027 -0.1039505E-02 15.78732 
1 1 1 -15 1  57 o 13.76900 6.553798 -23.22452      24.24444 -66.71615      34.24548 20.47775       34.32830 13.57521 6.737679 22.35168 9.355392 -8.776479      11.52908 
1 1 1 -15 1  58 o 19.83391 8.809850 4.779706       34.21321 0.000000       0.000000 4.779706       34.21321 ?        ?        19.83391 8.809850 ?              ?        
1 1 1 -15 1  59 o 18.38332 8.018932 6.147044       27.17785 31.30325       33.83372 -39.61000      45.63060 23.79150 9.542050 17.87662 8.633691 5.914881       12.86823 
1 1 1 -15 2  1  o 107.1907 4.327588 563.9908       45.31223 661.7000       69.37617 491.3000       59.83877 115.9609 6.133946 99.87064 6.151074 16.09026       8.686830 
1 1 1 -15 2  2  o 381.3645 8.397205 7153.824       313.4594 6418.000       502.2272 7623.378       401.1953 359.2375 14.31141 393.0099 10.43832 -33.77243      17.71370 
1 1 1 -15 2  3  o 72.10709 3.612098 255.3442       25.41315 329.9000       49.68922 228.9343       29.57364 81.74933 6.257274 68.20036 4.454461 13.54897       7.680866 
1 1 1 -15 2  4  o 304.4772 5.894241 4548.759       175.6665 4591.394       250.1601 4507.284       246.7350 305.3915 8.376551 302.5874 8.338502 2.804169       11.81936 
1 1 1 -15 2  5  o 147.4059 3.424638 1064.360       49.41237 1063.754       70.07715 1064.959       69.68379 147.2176 4.869771 147.3037 4.839515 -0.8609009E-01 6.865536 
1 1 1 -15 2  6  o 172.9793 3.769674 1466.026       63.82695 1468.068       90.42947 1463.998       90.10130 172.9215 5.349060 172.6826 5.337009 0.2388611      7.556197 
1 1 1 -15 2  7  o 139.6828 3.347217 955.7651       45.76496 956.6418       64.89475 954.8978       64.54948 139.6027 4.756024 139.4771 4.734932 0.1256409      6.711136 
1 1 1 -15 2  8  o 64.50759 3.310088 204.3763       20.83061 210.3675       29.48891 198.4093       29.42904 65.33986 4.640986 63.43287 4.774802 1.906986       6.658640 
1 1 1 -15 2  9  o 177.4702 3.853963 1543.408       66.94826 1482.871       93.05482 1608.364       96.39159 173.7565 5.478158 180.9700 5.447799 -7.213486      7.725848 
1 1 1 -15 2  10 o 237.4556 4.774372 2765.142       110.9698 2721.578       155.5060 2810.345       158.4041 235.2436 6.760423 239.0495 6.776586 -3.805878      9.572118 
1 1 1 -15 2  11 o 46.26379 4.061053 105.7136       18.20378 91.03049       24.84228 122.7407       26.75171 42.62336 6.130521 49.69647 5.596657 -7.073112      8.300955 
1 1 1 -15 2  12 o 234.6460 4.742560 2700.427       108.9262 2681.348       153.5897 2719.734       154.5041 233.4675 6.727950 235.1355 6.719878 -1.668015      9.509052 
1 1 1 -15 2  13 o 165.7538 3.723863 1346.498       60.41758 1298.824       83.87362 1397.916       87.10468 162.5945 5.277021 168.6887 5.281836 -6.094131      7.466240 
1 1 1 -15 2  14 f 63.52259 3.547717 198.3620       21.97124 191.0018       30.42892 206.3790       31.75772 62.18510 5.042347 64.65372 5.058461 -2.468628      7.142359 
1 1 1 -15 2  15 o 104.0019 3.178421 530.4547       32.31834 526.8975       45.40578 534.1073       46.01028 103.5466 4.490584 104.2512 4.519607 -0.7045975     6.371201 
1 1 1 -15 2  16 o 214.0856 4.435998 2248.247       92.95763 2199.026       129.7864 2300.095       133.2041 211.3952 6.279276 216.1986 6.301182 -4.803391      8.895741 
1 1 1 -15 2  17 o 161.7389 3.697328 1282.399       58.53407 1228.529       81.09438 1340.991       84.57461 158.0869 5.247966 165.1732 5.237736 -7.086243      7.414515 
1 1 1 -15 2  18 f 32.26646 6.428562 53.01498       19.59019 19.57506       26.20468 95.38215       29.49585 23.01883 8.620405 43.44170 7.187757 -20.42287      11.22387 
1 1 1 -15 2  19 o 16.11156 7.071061 -5.472834      21.41891 -11.97620      24.55793 15.20000       43.78474 16.34466 7.346983 26.66335 10.79782 -10.31870      13.06029 
1 1 1 -15 2  20 o 70.01886 4.354257 241.4845       29.69482 258.1759       35.31484 201.2000       54.86307 72.33433 5.018896 63.12817 9.144736 9.206158       10.43147 
1 1 1 -15 2  21 o 64.67484 4.570319 206.3479       28.74630 201.2388       33.32589 221.2000       56.82011 63.76502 5.389838 66.25894 8.992863 -2.493919      10.48437 
1 1 1 -15 2  22 o 171.6509 4.486070 1447.503       75.30886 1439.074       92.56939 1464.000       129.5058 170.9802 5.538456 171.9928 7.712211 -1.012619      9.494877 
1 1 1 -15 2  23 o 157.9355 4.388374 1225.634       67.77484 1256.000       121.2321 1211.829       81.74173 159.2057 7.803294 156.8950 5.330400 2.310791       9.450109 
1 1 1 -15 2  24 o 120.2546 4.907292 711.9741       57.64166 0.000000       0.000000 711.9741       57.64166 ?        ?        120.2546 4.907292 ?              ?        
1 1 1 -15 2  25 o 64.79391 5.110429 207.7967       32.14918 0.000000       0.000000 207.7967       32.14918 ?        ?        64.79391 5.110429 ?              ?        
1 1 1 -15 2  26 o 186.0269 4.057271 1699.800       73.87814 1738.341       105.9891 1663.380       103.0326 187.6898 5.776057 183.6040 5.740108 4.085815       8.143198 
1 1 1 -15 2  27 o 137.4644 3.942454 929.1337       52.99250 966.0000       90.87230 910.1363       65.23263 139.5704 6.671002 135.8761 4.912824 3.694336       8.284812 
1 1 1 -15 2  28 o 95.13300 4.561152 446.5642       42.34916 446.5642       42.34916 0.000000       0.000000 95.13300 4.561152 ?        ?        ?              ?        
1 1 1 -15 2  29 o 47.62395 4.782574 112.9197       21.99281 108.3615       27.16019 121.6000       37.48031 46.38635 6.131904 48.71046 8.148536 -2.324108      10.19798 
1 1 1 -15 2  30 o 86.17356 4.332027 366.9022       36.42305 388.6000       51.15980 344.6000       51.86743 88.32813 5.952052 83.03020 6.432059 5.297928       8.763465 
1 1 1 -15 2  31 o 81.70216 4.422334 330.4037       35.23462 330.5000       48.93866 330.3000       50.77034 81.27809 6.198123 81.18308 6.441858 0.9500885E-01  8.939478 
1 1 1 -15 2  32 o 103.4875 3.329517 527.5492       33.68293 551.9570       48.35618 504.5454       46.94487 105.5245 4.693324 100.8608 4.768603 4.663719       6.690804 
1 1 1 -15 2  33 o 82.63736 3.448003 336.9877       27.82884 335.4617       38.91368 338.5852       39.81358 82.11745 4.863061 82.47489 4.954620 -0.3574448     6.942451 
1 1 1 -15 2  34 o 21.49524 7.555470 21.01610       19.70365 13.04258       26.95387 30.16714       28.87563 21.35688 8.533337 25.65948 9.134563 -4.302591      12.50032 
1 1 1 -15 2  35 o 41.54114 5.488923 87.63697       21.77322 95.19496       30.31496 79.58380       31.29226 42.69889 7.528286 38.66665 8.499992 4.032246       11.35451 
1 1 1 -15 2  36 f 25.60033 7.737127 33.97709       21.02376 62.97476       29.16724 2.619153       30.33106 34.25125 8.688026 20.30391 8.659528 13.94735       12.26659 
1 1 1 -15 2  37 o 17.01521 7.228177 1.835808       20.98723 -28.88777      29.40119 33.75491       29.96777 15.74665 7.411657 26.47292 9.316800 -10.72627      11.90527 
1 1 1 -15 2  38 o 18.70801 7.563773 9.138021       21.44489 0.7136981      29.84826 18.12616       30.83091 19.74751 8.509131 23.14158 9.165458 -3.394064      12.50644 
1 1 1 -15 2  39 o 92.94646 3.634426 428.8475       33.00175 446.5671       47.07946 411.7290       46.27403 94.20168 5.125136 90.37920 5.253377 3.822479       7.339278 
1 1 1 -15 2  40 o 47.85485 5.379431 116.7781       24.76226 134.8691       35.69857 100.0017       34.37706 50.61288 7.426622 43.00221 8.468660 7.610668       11.26379 
1 1 1 -15 2  41 o 24.96874 8.995303 30.08480       28.09078 21.66080       32.94312 52.53000       53.77337 24.00176 9.484273 32.29456 12.29174 -8.292807      15.52541 
1 1 1 -15 2  42 o 22.67749 8.785016 20.94165       27.80302 -0.5883236     32.33337 82.03000       54.46387 19.94730 8.722884 37.05843 12.58286 -17.11114      15.31068 
1 1 1 -15 2  43 o 18.33666 7.699209 6.103438       23.36284 13.18473       33.01444 -0.9998666     33.06571 22.15428 9.216116 19.95393 8.770615 2.200348       12.72244 
1 1 1 -15 2  44 o 21.43048 8.495523 17.48285       26.51121 21.36000       43.56047 15.20187       33.41166 25.35375 10.56978 22.47850 9.304153 2.875244       14.08146 
1 1 1 -15 2  45 o 85.57771 4.618435 372.6496       38.54337 399.4000       72.38317 362.0628       45.53608 84.45060 8.889632 83.61010 5.596269 0.8404999      10.50447 
1 1 1 -15 2  46 o 31.37530 8.867020 56.98752       28.43196 3.041000       51.59620 80.51179       34.07172 24.12347 10.76052 37.01028 9.391322 -12.88682      14.28236 
1 1 1 -15 2  47 o 24.42875 8.284826 32.36567       23.61051 60.58863       33.34072 3.974200       33.44010 31.89354 9.764693 20.43563 8.904860 11.45792       13.21536 
1 1 1 -15 2  48 o 41.06811 7.239681 93.09997       28.03945 102.0123       35.52782 78.38000       45.65911 41.84694 8.944803 34.94959 11.51519 6.897346       14.58113 
1 1 1 -15 2  49 o 17.06911 7.601119 -3.351009      25.63442 -11.31901      33.31112 8.220000       40.14209 18.23310 8.337387 22.27153 9.729708 -4.038427      12.81324 
1 1 1 -15 2  50 o 32.12190 7.821612 59.47611       24.35952 89.38196       35.35459 32.44780       33.61067 38.32457 9.478070 24.98212 9.664157 13.34245       13.53624 
1 1 1 -15 2  51 o 89.79339 3.823271 409.1747       33.52668 384.0692       47.35760 434.3999       47.47036 85.14778 5.715217 90.99364 5.353382 -5.845863      7.830862 
1 1 1 -15 2  52 o 32.48021 7.674137 60.89762       24.00793 64.11275       34.41087 57.84833       33.51166 31.90945 9.946370 30.45223 9.854483 1.457218       14.00147 
1 1 1 -15 2  53 o 33.92388 7.425547 65.97098       23.97121 59.91325       34.36567 71.71140       33.45355 30.75245 9.981445 33.79838 9.640595 -3.045929      13.87697 
1 1 1 -15 2  54 o 19.27055 8.143922 10.10866       26.41134 2.079000       48.11736 13.57103       31.59660 22.45053 10.16972 20.96568 8.886093 1.484844       13.50503 
1 1 1 -15 2  55 o 31.98958 8.802831 62.34453       28.42732 60.51192       34.44334 66.26000       50.34569 30.79551 9.992513 31.20437 11.88953 -0.4088612     15.53098 
1 1 1 -15 2  56 o 19.74338 7.927460 16.16729       23.38039 10.99582       33.63721 21.00117       32.52076 20.83804 9.006309 22.27007 9.194883 -1.432037      12.87088 
1 1 1 -15 2  57 o 34.65733 10.20850 79.32240       36.96527 95.53000       48.68052 57.25000       56.80943 36.23806 11.88756 29.38420 12.14447 6.853863       16.99419 
1 1 1 -15 2  58 o 19.00580 7.912829 12.53852       24.36595 33.81183       34.90671 -7.676565      34.02744 24.53913 9.741748 18.24049 8.372735 6.298637       12.84540 
1 1 1 -15 2  59 o 19.50080 8.350490 11.31819       28.40971 58.58000       50.01562 -11.19387      34.51899 28.79812 11.58377 17.84658 8.277265 10.95154       14.23716 
1 1 1 -15 3  1  o 230.1564 6.565301 2602.777       147.7542 0.000000       0.000000 2602.777       147.7542 ?        ?        230.1564 6.565301 ?              ?        
1 1 1 -15 3  2  o 405.6241 7.681193 8087.247       304.9711 8112.860       432.3718 8061.888       430.2247 405.2351 10.91037 403.9661 10.89032 1.269012       15.41542 
1 1 1 -15 3  3  o 222.1066 5.223476 2419.234       113.5605 2834.000       218.6685 2266.061       132.8853 239.6838 9.338416 214.7665 6.328167 24.91727       11.28059 
1 1 1 -15 3  4  o 369.8781 7.043557 6720.720       255.0098 6775.877       362.8296 6666.875       358.4862 370.5564 10.01245 367.5735 9.972948 2.982910       14.13184 
1 1 1 -15 3  5  o 331.4984 6.370835 5395.071       206.7207 5400.422       292.7652 5389.750       291.9311 331.0175 9.044186 330.6944 9.027215 0.3231201      12.77842 
1 1 1 -15 3  6  o 106.0985 3.089278 551.8117       32.04865 530.8614       44.93199 573.5087       45.72570 103.9739 4.425062 108.0842 4.330841 -4.110298      6.191717 
1 1 1 -15 3  7  o 172.3689 3.769744 1455.790       63.60292 1470.711       90.75261 1441.387       89.16464 173.0646 5.363758 171.3332 5.323193 1.731445       7.556870 
1 1 1 -15 3  8  o 343.9363 6.592139 5810.664       221.9272 5803.165       313.7537 5818.173       313.9514 342.9535 9.355204 343.3989 9.348924 -0.4453735     13.22582 
1 1 1 -15 3  9  o 218.3322 4.468112 2337.057       95.48785 2338.689       135.2341 2335.435       134.8472 218.1248 6.340683 217.9749 6.326872 0.1498718      8.957319 
1 1 1 -15 3  10 o 75.66090 3.139691 280.8984       23.20170 298.5829       33.06179 263.7381       32.56810 77.92058 4.352083 73.19850 4.568299 4.722076       6.309515 
1 1 1 -15 3  11 f 174.7661 3.817086 1496.859       65.29732 1477.171       91.87662 1516.953       92.81931 173.4095 5.419503 175.7333 5.402494 -2.323776      7.652317 
1 1 1 -15 3  12 o 75.42158 3.208344 279.1789       23.63140 318.8925       33.83588 241.3601       33.01881 80.53369 4.308012 69.97906 4.850460 10.55463       6.487367 
1 1 1 -15 3  13 o 252.9362 5.045676 3139.248       124.9213 3139.051       176.8089 3139.445       176.5222 252.4966 7.161126 252.5150 7.148967 -0.1841736E-01 10.11877 
1 1 1 -15 3  14 o 305.8614 5.946205 4595.954       178.0208 4499.450       248.3130 4698.007       255.3534 301.9467 8.409808 308.5257 8.463589 -6.579010      11.93135 
1 1 1 -15 3  15 o 148.8168 3.519298 1085.381       51.26420 1054.390       71.54469 1118.082       73.49155 146.4893 4.996911 150.8553 4.983874 -4.366028      7.057487 
1 1 1 -15 3  16 o 186.2665 4.019960 1701.262       73.29302 1605.180       100.3047 1811.333       107.3585 180.6713 5.678917 191.9267 5.721103 -11.25543      8.061087 
1 1 1 -15 3  17 f 8.576417 4.324370 -54.77998      16.93216 -78.39494      22.32755 -22.81739      25.97578 9.527738 4.822970 15.45226 7.171431 -5.924520      8.642365 
1 1 1 -15 3  18 o 22.88952 7.938569 23.22703       21.71049 15.81743       25.04613 45.62000       43.54105 21.81800 8.367950 32.09695 11.23533 -10.27895      14.00912 
1 1 1 -15 3  19 o 89.84756 3.959980 396.6688       34.74060 382.3721       41.14038 432.2000       64.85699 88.12780 4.787214 93.38963 7.149348 -5.261826      8.604103 
1 1 1 -15 3  20 o 189.0812 4.784297 1756.389       88.47565 1793.214       108.9303 1685.000       151.6687 190.8786 5.837086 184.4610 8.422340 6.417587       10.24731 
1 1 1 -15 3  21 o 30.65918 7.747826 48.20277       23.25746 77.53805       28.60771 -8.980000      39.94115 38.95622 7.774952 22.07962 9.674130 16.87659       12.41123 
1 1 1 -15 3  22 o 76.29980 4.486128 286.8056       33.35651 269.6000       61.54671 293.9613       39.69136 73.27612 8.753932 77.15166 5.287841 -3.875542      10.22705 
1 1 1 -15 3  23 o 133.9105 3.959258 880.6974       51.83909 940.3000       88.21880 849.2625       64.06710 137.9602 6.551548 131.3604 4.991779 6.599777       8.236543 
1 1 1 -15 3  24 o 228.3943 6.684423 2576.067       149.2753 0.000000       0.000000 2576.067       149.2753 ?        ?        228.3943 6.684423 ?              ?        
1 1 1 -15 3  25 o 183.8583 4.728539 1662.969       85.02679 1430.000       140.3407 1798.079       106.8751 169.5022 8.485659 190.9597 5.724258 -21.45757      10.23589 
1 1 1 -15 3  26 o 112.6110 3.820468 623.3785       42.05081 662.5000       78.10452 607.4097       49.90041 115.5231 6.939170 111.0472 4.600783 4.475914       8.325821 
1 1 1 -15 3  27 o 99.88535 3.199356 490.0556       31.23993 449.6057       43.04967 535.0510       45.40415 95.47927 4.620038 104.2022 4.461893 -8.722900      6.422868 
1 1 1 -15 3  28 o 55.43751 3.821598 151.7599       20.61054 182.2315       29.11251 121.1405       29.18304 60.60664 4.950512 49.09964 6.210935 11.50700       7.942498 
1 1 1 -15 3  29 o 95.36929 4.601507 449.2779       42.82836 449.2779       42.82836 0.000000       0.000000 95.36929 4.601507 ?        ?        ?              ?        
1 1 1 -15 3  30 o 86.64788 3.782537 370.1527       32.00367 327.1405       38.38691 468.2000       57.95685 81.25150 4.848701 96.92425 6.140512 -15.67275      7.824052 
1 1 1 -15 3  31 o 27.68944 7.443542 39.75364       20.60693 33.30926       25.68303 51.40000       34.52637 26.16237 8.637094 31.76130 9.972386 -5.598938      13.19272 
1 1 1 -15 3  32 o 87.16140 3.381782 374.5052       28.79726 358.2023       40.33319 391.4580       41.12944 84.91045 4.873301 88.80920 4.748653 -3.898750      6.804320 
1 1 1 -15 3  33 o 43.95269 4.895593 96.95186       20.70481 113.3315       28.86021 79.58086       29.72079 47.17757 6.415771 38.95713 8.060119 8.220440       10.30183 
1 1 1 -15 3  34 o 50.62991 4.447904 127.9916       21.81909 134.9072       30.47232 120.7157       31.25632 51.53711 6.162600 48.53124 6.763237 3.005867       9.149809 
1 1 1 -15 3  35 o 32.00609 6.788110 53.59555       20.60599 45.19000       28.56158 62.71989       29.75773 29.40746 9.044162 34.22586 8.825625 -4.818405      12.63679 
1 1 1 -15 3  36 f 93.74773 3.461521 434.6876       31.70936 424.3156       44.37062 445.5141       45.33247 92.12235 4.938723 94.40795 4.922633 -2.285599      6.973041 
1 1 1 -15 3  37 o 112.5725 3.479212 627.1402       38.29110 606.6342       53.27808 649.0488       55.06996 110.0907 4.956863 113.8838 4.952060 -3.793053      7.006667 
1 1 1 -15 3  38 o 14.05268 6.456508 -13.51097      20.29961 -16.90017      27.85937 -9.674885      29.63921 16.54724 7.588259 18.12215 8.114460 -1.574903      11.10973 
1 1 1 -15 3  39 o 18.64553 7.547919 9.139307       21.38516 24.68558       30.13452 -6.633241      30.35303 24.27458 9.210403 18.73282 8.310631 5.541759       12.40557 
1 1 1 -15 3  40 o 64.96949 5.081549 213.3873       32.05864 194.1908       37.80835 262.5000       60.47476 61.39722 6.384309 69.84870 9.058379 -8.451485      11.08213 
1 1 1 -15 3  41 o 60.91005 5.405138 189.2271       31.89141 158.4672       37.30152 272.8000       61.48461 54.89538 7.108759 70.84617 9.074410 -15.95079      11.52733 
1 1 1 -15 3  42 o 121.2809 3.709590 733.8889       43.98591 782.3995       63.12591 688.1079       61.32415 124.0894 5.208752 116.1939 5.406725 7.895470       7.507581 
1 1 1 -15 3  43 o 15.23324 7.046086 -16.23971      24.76186 -47.97000      39.11334 4.983534       31.98849 16.78556 8.078217 20.54593 8.830511 -3.760368      11.96810 
1 1 1 -15 3  44 o 18.90457 7.824319 8.908263       23.62634 0.6158430E-02  34.06371 17.16091       32.79762 20.25421 8.902315 22.67677 9.284459 -2.422558      12.86283 
1 1 1 -15 3  45 o 25.74562 8.343270 36.49088       24.01645 43.25948       34.61497 30.20826       33.34915 28.00112 9.997654 25.11836 9.650222 2.882761       13.89532 
1 1 1 -15 3  46 o 59.47385 5.593400 184.3732       32.17951 227.3000       59.39785 166.5396       38.28471 62.18695 10.10465 55.40079 7.232491 6.786160       12.42630 
1 1 1 -15 3  47 f 95.14119 4.424006 460.4936       41.08656 478.1000       73.73855 452.5663       49.47901 92.81135 8.201148 93.42310 5.434247 -0.6117554     9.838184 
1 1 1 -15 3  48 o 45.03022 5.965807 107.8067       25.64907 67.01086       36.35426 148.2409       36.19281 33.06966 10.20953 51.94003 7.321811 -18.87037      12.56358 
1 1 1 -15 3  49 o 42.92765 7.000444 101.3025       28.40225 118.6244       36.84606 75.94000       44.58511 45.31547 8.621815 34.28043 11.38227 11.03504       14.27907 
1 1 1 -15 3  50 o 44.83127 6.626320 109.8945       28.20270 90.12648       36.47053 139.3000       44.48104 38.25827 9.720794 47.79013 9.836967 -9.531868      13.82967 
1 1 1 -15 3  51 o 60.51175 4.617444 189.3875       27.14285 159.1474       39.00917 217.7689       37.79136 52.97733 7.752049 63.63922 6.143091 -10.66188      9.890998 
1 1 1 -15 3  52 o 36.57245 7.046649 75.05568       24.31089 84.61671       35.84070 66.90794       33.08588 36.79986 9.782722 32.75690 9.660425 4.042965       13.74865 
1 1 1 -15 3  53 o 14.58365 6.903126 -22.66121      26.17515 -19.60000      49.11729 -23.87539      30.93363 20.65321 9.676191 15.95311 7.537299 4.700098       12.26538 
1 1 1 -15 3  54 o 24.12113 9.011559 31.95959       28.60166 47.95786       34.82350 -1.205000      50.13873 27.93289 10.02139 22.44853 10.25119 5.484354       14.33580 
1 1 1 -15 3  55 o 18.73427 7.752729 11.36876       23.19144 42.71864       33.84291 -16.38651      31.84362 26.74320 9.837279 16.95511 7.893100 9.788095       12.61242 
1 1 1 -15 3  56 o 34.89651 8.367225 73.03110       28.21024 52.42000       49.41824 82.99419       34.35846 28.76168 11.53328 36.25266 9.550900 -7.490978      14.97452 
1 1 1 -15 3  57 o 30.48084 9.052892 58.16649       28.97186 128.8000       51.43724 25.34605       35.06263 42.42715 11.90417 23.23531 9.565785 19.19184       15.27133 
1 1 1 -15 3  58 o 30.04492 8.259469 55.23086       25.04036 51.82061       36.30525 58.32512       34.58237 28.11211 10.21271 29.65326 10.02692 -1.541147      14.31218 
1 1 1 -15 3  59 o 35.49763 7.605950 74.72562       25.63251 68.08345       37.34814 80.64014       35.24306 31.35424 10.41783 34.73258 9.891162 -3.378334      14.36545 
1 1 1 -15 4  1  o 342.3360 7.578564 5760.607       253.9485 5166.000       408.4706 6135.233       324.2237 322.5936 12.96236 352.7587 9.398269 -30.16510      16.01094 
1 1 1 -15 4  2  o 284.9390 5.558061 3982.913       155.0178 4062.976       222.5445 3907.450       216.0560 287.3338 7.920240 281.7921 7.840676 5.541687       11.14479 
1 1 1 -15 4  3  o 462.0616 8.704633 10509.98       393.6920 10664.91       562.7865 10361.52       550.9317 463.9106 12.40490 457.2986 12.31934 6.611938       17.48278 
1 1 1 -15 4  4  o 182.2017 5.514421 1630.078       98.23323 0.000000       0.000000 1630.078       98.23323 ?        ?        182.2017 5.514421 ?              ?        
1 1 1 -15 4  5  o 172.7493 3.769721 1462.184       63.74286 1461.360       90.53410 1462.994       89.76290 172.5171 5.367878 172.6187 5.318893 -0.1016235     7.556768 
1 1 1 -15 4  6  o 190.6992 4.031165 1782.184       75.24639 1810.895       107.7511 1754.854       105.1264 192.0130 5.739482 189.0220 5.688367 2.991028       8.080791 
1 1 1 -15 4  7  o 223.0433 4.552712 2439.010       99.39523 2321.833       137.1719 2568.548       144.2253 217.3331 6.455275 228.5985 6.452033 -11.26538      9.126844 
1 1 1 -15 4  8  o 130.7436 3.283005 837.9086       41.98116 821.3958       59.41776 854.3688       59.32300 129.3411 4.701070 131.9237 4.601075 -2.582657      6.577990 
1 1 1 -15 4  9  o 220.6358 4.506622 2386.792       97.32699 2445.488       140.0484 2331.966       135.3539 223.0330 6.421776 217.8005 6.355805 5.232468       9.035234 
1 1 1 -15 4  10 o 162.5502 3.649374 1294.744       58.06468 1246.441       80.68803 1346.625       83.62228 159.3065 5.181404 165.5932 5.165411 -6.286667      7.316311 
1 1 1 -15 4  11 o 151.8682 3.521355 1130.115       52.34591 1096.060       73.09282 1165.972       75.00063 149.3892 5.005679 154.0879 4.979213 -4.698669      7.060410 
1 1 1 -15 4  12 o 20.44122 6.862116 19.22473       16.19774 43.27932       21.88737 -9.900354      24.08398 29.12125 7.599315 16.48567 7.352784 12.63557       10.57417 
1 1 1 -15 4  13 o 158.6068 3.616291 1232.869       56.14246 1218.239       78.95276 1247.833       79.84972 157.4709 5.129094 159.3745 5.125230 -1.903656      7.250902 
1 1 1 -15 4  14 o 127.6623 3.288115 799.1057       41.05390 778.0192       57.28160 821.3768       58.86889 125.8476 4.658155 129.3113 4.658577 -3.463692      6.587924 
1 1 1 -15 4  15 o 54.50997 3.827950 146.3795       20.29451 115.5581       27.33565 184.2312       30.29323 48.13652 5.926586 61.05059 5.116334 -12.91407      7.829514 
1 1 1 -15 4  16 o 50.35686 4.106007 125.1768       20.06327 112.3212       26.71443 141.8093       30.38643 47.45121 5.877178 53.39544 5.912895 -5.944229      8.336879 
1 1 1 -15 4  17 o 98.49206 3.754578 476.2836       36.13039 443.1382       42.73148 559.4000       67.66734 94.91838 4.613111 106.4331 6.526639 -11.51472      7.992359 
1 1 1 -15 4  18 o 134.4963 3.966015 887.8809       52.15503 847.8597       61.86591 986.2000       96.96747 131.3357 4.820589 141.3301 7.031551 -9.994461      8.525303 
1 1 1 -15 4  19 o 78.45335 3.527750 302.3413       27.02110 275.6248       36.30407 335.5248       40.46008 74.75516 4.990015 82.50655 5.033893 -7.751389      7.088040 
1 1 1 -15 4  20 f 37.99823 6.659672 73.15528       23.86736 42.68850       28.91478 138.3000       42.28108 29.41178 9.109431 52.22885 8.567234 -22.81707      12.50517 
1 1 1 -15 4  21 o 188.4157 4.809019 1744.610       88.61855 1539.000       146.4545 1863.377       111.3082 176.1713 8.518246 194.5374 5.852100 -18.36612      10.33478 
1 1 1 -15 4  22 o 90.59038 3.773231 403.2668       33.38488 461.5000       52.99749 364.9570       42.98579 96.69695 5.623600 86.01933 5.128600 10.67763       7.611006 
1 1 1 -15 4  23 o 140.0462 4.000158 963.2891       54.77843 967.1000       90.34335 961.0735       68.88563 139.8961 6.616325 139.7394 5.044485 0.1567078      8.320011 
1 1 1 -15 4  24 o 162.9126 3.762691 1302.409       60.00112 1212.356       82.67113 1402.646       87.22029 156.8678 5.392125 168.7646 5.286472 -11.89674      7.551278 
1 1 1 -15 4  25 o 248.9093 5.832941 3053.615       142.1133 3058.000       249.0599 3051.497       173.0496 247.0479 10.32225 248.2953 7.127637 -1.247375      12.54400 
1 1 1 -15 4  26 o 137.1891 4.093917 925.4965       54.91346 811.2000       95.68364 981.6312       67.05587 127.6520 7.693503 141.1569 4.860455 -13.50485      9.100221 
1 1 1 -15 4  27 o 108.0352 3.828027 574.1263       40.41660 522.1000       71.11669 598.9462       49.12009 102.3654 7.142421 110.2329 4.562274 -7.867554      8.475171 
1 1 1 -15 4  28 o 72.01782 3.383354 255.2654       23.78362 227.7601       32.54398 286.7958       34.84392 67.79500 4.938042 76.15695 4.697098 -8.361954      6.815203 
1 1 1 -15 4  29 o 133.8260 3.885609 881.7757       50.84470 782.2000       80.57220 947.6681       65.54297 125.3264 6.591219 138.5143 4.841652 -13.18789      8.178371 
1 1 1 -15 4  30 o 95.89877 4.323686 454.3138       40.48134 448.7000       54.90595 461.0000       59.92072 94.91347 5.939747 96.07479 6.408429 -1.161324      8.737766 
1 1 1 -15 4  31 o 49.89759 5.902528 125.4083       28.27109 125.4083       28.27109 0.000000       0.000000 49.89759 5.902528 ?        ?        ?              ?        
1 1 1 -15 4  32 o 59.98325 4.389664 178.7616       25.59470 165.3616       31.80204 203.4000       43.12296 57.36995 5.740238 63.28995 7.082229 -5.920002      9.116375 
1 1 1 -15 4  33 o 22.83581 7.501287 25.46541       19.38118 23.71722       26.86515 27.36272       27.98755 23.77450 8.761333 24.87698 8.976602 -1.102484      12.54354 
1 1 1 -15 4  34 o 99.15046 3.395614 485.3654       32.90621 493.6035       46.76991 477.2897       46.30636 99.55427 4.813816 97.87938 4.848385 1.674889       6.832251 
1 1 1 -15 4  35 f 110.2195 3.412597 600.1201       36.77275 618.0782       52.48489 582.8046       51.53711 111.3454 4.827127 108.0924 4.883621 3.253044       6.866652 
1 1 1 -15 4  36 o 12.52547 5.924063 -21.36688      19.20282 -28.90734      26.30566 -12.76480      28.09649 14.61821 6.919730 17.23597 7.792935 -2.617764      10.42173 
1 1 1 -15 4  37 o 14.67380 6.607683 -8.702514      19.96426 -31.86675      27.15452 18.54870       29.45277 14.60792 6.948248 22.94805 8.998228 -8.340132      11.36865 
1 1 1 -15 4  38 o 43.61590 5.351216 96.84033       22.36751 94.67209       30.83348 99.24883       32.49689 42.27656 7.736027 43.21397 7.976435 -0.9374046     11.11169 
1 1 1 -15 4  39 o 28.90773 8.513452 44.87135       25.71063 39.64205       29.93145 59.59000       50.21578 27.73593 9.328275 33.64703 12.03846 -5.911104      15.22962 
1 1 1 -15 4  40 o 55.89074 5.506096 159.2030       29.73167 147.7670       34.84778 189.8000       57.00029 53.26108 6.842214 58.41795 10.34705 -5.156872      12.40473 
1 1 1 -15 4  41 o 34.40387 7.137933 63.45301       23.24879 56.43420       31.86226 71.44485       33.99917 31.84010 9.502830 35.63032 9.553549 -3.790226      13.47494 
1 1 1 -15 4  42 o 67.03624 4.645834 227.4251       30.29595 192.3000       46.37989 253.5669       40.01186 59.62197 8.161230 70.12234 5.883634 -10.50037      10.06096 
1 1 1 -15 4  43 o 24.06423 8.155691 30.31394       22.87992 21.77915       31.97181 39.27290       32.75665 23.44981 9.318719 27.23843 9.725560 -3.788616      13.46941 
1 1 1 -15 4  44 o 20.04190 7.922206 14.97647       22.99230 16.24554       32.58653 13.71833       32.44596 22.44712 9.229519 21.97587 9.138709 0.4712524      12.98846 
1 1 1 -15 4  45 o 50.64299 5.347968 133.0679       26.11036 135.4945       36.93738 130.6445       36.91389 49.56028 7.877566 48.53096 8.052917 1.029312       11.26523 
1 1 1 -15 4  46 o 35.48817 7.319434 69.60445       24.58084 71.49416       34.85818 67.73534       34.66771 34.61206 9.830429 33.68710 9.876342 0.9249649      13.93483 
1 1 1 -15 4  47 o 31.00428 8.990774 56.20252       28.86906 35.29000       52.97206 65.03798       34.43167 28.03145 11.66855 32.88589 9.893355 -4.854446      15.29816 
1 1 1 -15 4  48 o 23.44827 8.885070 27.14252       28.02098 30.05000       52.65208 25.99365       33.09730 27.08829 11.47556 23.92388 9.489633 3.164415       14.89100 
1 1 1 -15 4  49 o 28.75044 8.193025 47.82982       24.17265 52.20295       35.17428 43.91613       33.27530 29.47209 10.10965 27.56867 9.806682 1.903419       14.08460 
1 1 1 -15 4  50 o 41.95979 7.073976 97.94914       28.02164 103.2346       36.84723 90.70000       43.15272 41.33539 9.329158 37.16727 11.05091 4.168121       14.46222 
1 1 1 -15 4  51 f 51.42342 5.833191 141.4697       28.84309 170.0419       38.47260 104.8000       43.58459 55.16914 7.303662 40.05040 10.85073 15.11874       13.07982 
1 1 1 -15 4  52 o 15.46374 7.170295 -14.46118      25.87881 28.48776       34.86730 -67.14000      38.61536 24.19357 9.692378 14.88839 7.346662 9.305178       12.16206 
1 1 1 -15 4  53 o 22.40023 8.848419 23.84021       28.66510 17.53078       34.74819 37.28000       50.71463 22.21054 9.361428 26.99505 11.33969 -4.784510      14.70459 
1 1 1 -15 4  54 o 41.41175 6.390547 94.17934       25.07147 82.44630       36.62428 104.5267       34.39359 35.88743 10.03611 41.85768 8.679600 -5.970245      13.26872 
1 1 1 -15 4  55 o 42.62524 7.220545 102.6857       29.05177 125.1000       51.35986 92.13971       35.22945 42.28105 11.90658 38.52049 9.422486 3.760555       15.18387 
1 1 1 -15 4  56 o 22.43060 8.341802 26.94020       24.45352 44.43000       35.52461 11.19004       33.71158 27.00136 10.05189 20.87072 9.018335 6.130638       13.50448 
1 1 1 -15 4  57 o 23.74263 8.515763 32.35716       25.14383 27.71062       37.23206 36.25312       34.09248 23.85994 9.843579 25.12435 9.729377 -1.264410      13.84041 
1 1 1 -15 4  58 o 33.33266 8.900416 69.90926       29.58514 74.64000       52.98624 67.76631       35.66185 31.45706 12.14342 31.71231 10.15688 -0.2552567     15.83114 
1 1 1 -15 4  59 o 17.50601 7.587047 5.613901       24.00325 5.168647       34.87553 6.014647       33.08653 19.83022 8.846039 19.59714 8.686342 0.2330894      12.39778 
1 1 1 -15 5  1  o 171.6767 3.721580 1444.033       62.53815 1426.256       88.48090 1461.779       88.40375 170.4375 5.310168 172.5562 5.240074 -2.118683      7.460312 
1 1 1 -15 5  2  o 400.0892 7.586075 7870.112       297.0847 8103.244       429.2240 7655.720       411.6116 404.8674 10.84066 393.5735 10.69445 11.29391       15.22797 
1 1 1 -15 5  3  o 127.2224 4.477280 794.3993       55.66812 0.000000       0.000000 794.3993       55.66812 ?        ?        127.2224 4.477280 ?              ?        
1 1 1 -15 5  4  o 161.9376 3.606376 1284.792       57.16430 1276.270       81.11133 1293.203       80.57639 161.2294 5.146213 162.3032 5.078194 -1.073822      7.229908 
1 1 1 -15 5  5  o 257.9015 5.105291 3262.328       128.8786 3280.416       183.3614 3244.667       181.1817 258.2284 7.261548 256.8250 7.214420 1.403442       10.23611 
1 1 1 -15 5  6  o 158.2056 3.576890 1226.291       55.39030 1196.438       77.86679 1256.870       78.80914 156.0972 5.103110 160.0015 5.038346 -3.904251      7.171238 
1 1 1 -15 5  7  o 239.1984 4.803041 2805.875       112.4556 2845.471       160.8516 2768.016       157.2808 240.5358 6.838810 237.2468 6.779768 3.289032       9.629880 
1 1 1 -15 5  8  o 241.0775 4.832456 2850.329       114.0330 2909.120       163.6736 2794.873       158.9637 243.1946 6.882646 238.3785 6.819797 4.816132       9.689192 
1 1 1 -15 5  9  o 367.3893 7.015162 6635.748       252.2728 6625.958       356.6487 6645.550       356.8865 366.1499 9.960455 366.6941 9.952259 -0.5442505     14.08042 
1 1 1 -15 5  10 o 246.6082 4.937297 2983.281       119.1799 2974.612       168.6548 2991.928       168.4370 245.8623 7.015277 246.5831 6.985634 -0.7207642     9.900162 
1 1 1 -15 5  11 o 179.7969 3.902744 1584.496       68.68446 1564.097       96.73371 1605.236       97.54030 178.4145 5.545865 180.7512 5.519579 -2.336700      7.824473 
1 1 1 -15 5  12 o 182.3964 3.935879 1630.810       70.26907 1631.404       99.54965 1630.219       99.20219 182.1970 5.588641 182.1331 5.571050 0.6385803E-01  7.891103 
1 1 1 -15 5  13 o 142.8703 3.438460 1000.267       48.08527 968.0756       67.04622 1034.364       69.00163 140.3767 4.886930 145.1112 4.864820 -4.734512      6.895545 
1 1 1 -15 5  14 o 212.5757 4.401479 2216.398       91.58376 2177.517       128.2165 2256.900       130.8620 210.3823 6.233153 214.1833 6.248650 -3.800964      8.825974 
1 1 1 -15 5  15 o 243.1475 5.666042 2904.393       134.8515 2761.414       159.7410 3259.000       251.5670 236.7731 6.899875 256.3410 10.04549 -19.56789      12.18688 
1 1 1 -15 5  16 o 96.01836 3.683410 452.6254       34.55448 466.6275       41.64882 421.7000       61.89621 97.43270 4.378271 92.30363 6.900709 5.129074       8.172456 
1 1 1 -15 5  17 o 116.1826 3.809671 662.5531       43.26605 641.7912       51.76074 710.7000       78.82265 114.2651 4.637500 119.9743 6.739162 -5.709213      8.180631 
1 1 1 -15 5  18 o 151.6951 4.164716 1129.628       61.78057 1102.531       74.75765 1188.000       109.7215 149.7484 5.107675 155.0993 7.247334 -5.350861      8.866352 
1 1 1 -15 5  19 o 56.49467 5.107964 158.0261       27.94144 150.2000       51.55636 161.2807       33.24760 54.18382 10.09215 56.94658 6.057513 -2.762768      11.77051 
1 1 1 -15 5  20 o 104.6824 3.346274 537.7358       34.24391 496.4979       46.88412 584.8920       50.13563 100.4422 4.782476 109.0444 4.708270 -8.602249      6.711175 
1 1 1 -15 5  21 o 71.88242 4.113675 254.3694       28.82317 323.8000       44.95427 205.9024       37.55942 80.93703 5.711036 64.40488 6.027948 16.53215       8.303740 
1 1 1 -15 5  22 o 88.40385 4.977101 385.2629       42.89398 0.000000       0.000000 385.2629       42.89398 ?        ?        88.40385 4.977101 ?              ?        
1 1 1 -15 5  23 o 144.7146 3.987755 1028.589       56.43295 1063.000       95.93822 1010.383       69.78234 146.6485 6.701272 143.2844 4.983127 3.364044       8.350965 
1 1 1 -15 5  24 o 137.8611 3.445771 932.3278       46.49800 884.2045       64.35764 984.8803       67.25415 134.0065 4.914782 141.4479 4.864780 -7.441376      6.915285 
1 1 1 -15 5  25 o 170.4372 3.841709 1426.194       64.09071 1365.212       88.73883 1492.692       92.66444 166.3991 5.455619 174.0044 5.447309 -7.605301      7.709538 
1 1 1 -15 5  26 o 133.4318 4.016757 875.5101       52.40182 876.6000       95.39953 875.0391       62.70913 132.7742 7.369422 133.2578 4.815556 -0.4836578     8.803293 
1 1 1 -15 5  27 o 127.4724 3.936615 799.3812       49.05966 764.9000       86.27695 815.8580       59.64023 123.9571 7.141006 128.6313 4.744946 -4.674294      8.573708 
1 1 1 -15 5  28 o 108.3942 3.835143 578.3702       40.62646 557.8000       73.07648 587.5719       48.87574 105.7045 7.104068 109.1193 4.586219 -3.414810      8.455837 
1 1 1 -15 5  29 o 96.63708 3.239506 459.2743       30.59951 446.9727       42.63225 472.3457       43.94616 95.09930 4.593471 97.76482 4.605264 -2.665512      6.504493 
1 1 1 -15 5  30 o 87.37357 3.313888 375.8505       28.29021 368.0227       39.23515 384.3272       40.82926 86.20647 4.667149 88.08172 4.753257 -1.875244      6.661511 
1 1 1 -15 5  31 o 121.2589 4.537375 727.5519       53.75984 761.1000       75.52755 693.1000       76.53831 123.4208 6.272451 117.6032 6.676380 5.817558       9.160660 
1 1 1 -15 5  32 o 68.99135 4.992656 237.2150       33.48764 237.2150       33.48764 0.000000       0.000000 68.99135 4.992656 ?        ?        ?              ?        
1 1 1 -15 5  33 o 53.94520 4.700416 145.3534       24.57204 117.5073       29.82440 204.2000       43.35611 47.98966 6.517467 63.27725 7.123600 -15.28759      9.655209 
1 1 1 -15 5  34 o 17.23733 6.969056 7.121176       18.20485 26.98060       24.57621 -17.02547      27.09941 24.06690 8.439777 16.36445 7.496827 7.702442       11.28859 
1 1 1 -15 5  35 o 115.3303 3.418941 657.1618       38.55329 645.0234       54.14591 669.6439       54.90724 113.7074 4.876198 115.8717 4.851859 -2.164330      6.878797 
1 1 1 -15 5  36 o 65.90281 3.892162 215.8880       24.99556 211.8160       34.84427 220.2047       35.87645 64.76495 5.549937 66.02367 5.604319 -1.258713      7.887343 
1 1 1 -15 5  37 o 47.69947 4.968810 114.8984       22.85947 151.1089       32.20680 78.13693       32.45092 54.35821 6.161628 37.97381 8.888502 16.38440       10.81532 
1 1 1 -15 5  38 o 66.88172 4.753493 224.5565       30.91625 272.0594       37.55067 124.6000       54.47068 73.44903 5.257844 46.63756 11.89605 26.81147       13.00619 
1 1 1 -15 5  39 o 50.72913 5.824303 131.7891       28.39664 128.0550       33.46145 141.4000       53.68238 49.47321 7.114156 49.84379 11.26859 -0.3705826     13.32637 
1 1 1 -15 5  40 f 49.04763 5.113107 122.2917       24.18757 105.6192       33.33208 140.8358       35.15333 44.39318 7.963363 51.82491 7.117630 -7.431725      10.68063 
1 1 1 -15 5  41 o 74.58897 4.381567 279.6702       31.84882 278.2000       49.81824 280.6863       41.41820 72.88457 7.071850 74.02205 5.761767 -1.137474      9.121898 
1 1 1 -15 5  42 o 40.97813 6.137296 88.08181       23.86040 85.63497       32.89761 90.79761       34.65863 39.11975 8.804546 40.18842 9.031216 -1.068668      12.61281 
1 1 1 -15 5  43 o 16.18199 7.161537 -3.733813      22.40520 -5.963653      30.94563 -1.277118      32.48164 18.60652 8.314218 19.69472 8.673425 -1.088205      12.01476 
1 1 1 -15 5  44 o 33.24730 7.538412 61.16541       23.96519 52.47746       34.14818 69.59734       33.64128 30.22077 9.958502 34.50751 9.607149 -4.286749      13.83724 
1 1 1 -15 5  45 o 44.46242 5.993315 104.3596       25.41990 97.83489       36.04316 110.8167       35.85590 41.12495 9.185986 44.25986 8.586303 -3.134903      12.57406 
1 1 1 -15 5  46 o 17.71874 7.589944 3.680553       23.48487 23.80387       33.68998 -15.34132      32.75500 23.81448 9.531812 17.77571 8.179625 6.038773       12.56032 
1 1 1 -15 5  47 o 60.57482 4.609478 188.0241       27.12545 202.4482       38.63688 174.0044       38.09130 61.54052 6.512796 56.63766 7.021154 4.902851       9.576696 
1 1 1 -15 5  48 o 39.11854 6.729296 83.60343       24.83770 105.9700       36.43388 64.18346       33.94922 42.50898 9.034969 32.48904 9.834695 10.01994       13.35485 
1 1 1 -15 5  49 o 15.95367 7.350814 -13.25110      26.57559 7.271000       53.31078 -20.03738      30.65632 24.31886 10.88636 16.44006 7.683491 7.878801       13.32475 
1 1 1 -15 5  50 o 57.69312 4.768077 172.6490       26.68590 150.4831       39.07962 192.0153       36.52852 51.31001 8.045419 59.60151 6.359489 -8.291500      10.25533 
1 1 1 -15 5  51 o 44.84352 6.719171 110.8954       28.58607 130.8896       38.49322 86.31000       42.68449 47.14467 8.660576 36.00967 11.05301 11.13500       14.04189 
1 1 1 -15 5  52 o 52.56187 8.133856 158.9825       40.49755 158.9825       40.49755 0.000000       0.000000 52.56187 8.133856 ?        ?        ?              ?        
1 1 1 -15 5  53 o 32.20142 7.843048 60.55542       24.48829 65.97848       36.32108 56.03577       33.15802 32.01969 10.24981 29.89938 9.811065 2.120308       14.18857 
1 1 1 -15 5  54 o 31.17183 8.700652 58.92377       27.55424 70.28000       49.87538 53.93507       33.05696 31.92952 11.90572 29.33033 9.802456 2.599192       15.42188 
1 1 1 -15 5  55 o 32.14157 7.807973 60.60468       24.31837 76.16182       35.62490 47.03001       33.27769 34.38982 9.991912 27.62896 9.809184 6.760860       14.00209 
1 1 1 -15 5  56 o 21.81921 8.285743 24.46066       24.40009 34.58220       35.47265 15.37090       33.61604 25.06375 9.860838 21.49951 9.141108 3.564240       13.44604 
1 1 1 -15 5  57 o 42.91628 6.497104 102.4617       26.43988 106.0951       38.91405 99.34605       36.03497 40.57952 9.888856 39.69902 9.416576 0.8805046      13.65509 
1 1 1 -15 5  58 o 17.13345 7.511927 2.888521       24.11788 6.829366       35.38424 -0.5308934     32.96029 20.25141 8.979276 18.80007 8.475814 1.451345       12.34775 
1 1 1 -15 5  59 o 21.86387 8.855024 23.93870       29.44941 9.469563       35.72488 54.62000       52.02192 20.48654 9.055941 28.00846 11.60291 -7.521921      14.71861 
1 1 1 -15 6  1  o 130.0313 3.624329 829.0593       46.08484 729.1000       75.06183 889.5341       58.38414 121.6889 6.323452 134.6330 4.436399 -12.94402      7.724486 
1 1 1 -15 6  2  o 205.4600 4.883374 2070.141       98.20950 1800.000       156.4107 2245.963       126.1849 191.0337 8.385126 213.8103 6.035420 -22.77661      10.33134 
1 1 1 -15 6  3  o 202.2527 4.821730 2005.944       95.45603 1861.000       157.8185 2089.560       119.8682 194.2570 8.319203 206.2350 5.944137 -11.97797      10.22457 
1 1 1 -15 6  4  o 121.5048 3.116530 723.6179       37.03500 750.0980       53.76641 699.7112       51.08704 123.6154 4.450836 119.3918 4.378915 4.223671       6.243784 
1 1 1 -15 6  5  f 185.2493 3.942956 1681.813       71.49651 1675.723       101.4322 1687.827       100.7935 184.7003 5.617032 185.3735 5.561219 -0.6731873     7.904315 
1 1 1 -15 6  6  o 108.9971 3.065312 582.3850       32.67115 547.4379       45.86632 618.3806       46.54923 105.5762 4.448318 112.2366 4.244778 -6.660423      6.148633 
1 1 1 -15 6  7  o 59.23281 3.348436 172.4335       19.33474 163.5384       27.00164 181.7936       27.69859 57.54324 4.838687 60.70591 4.697978 -3.162666      6.744175 
1 1 1 -15 6  8  o 102.1403 3.050174 511.4826       30.46079 528.1910       43.82813 495.8708       42.36524 103.7064 4.327096 100.4785 4.317626 3.227875       6.112745 
1 1 1 -15 6  9  o 156.6596 3.564765 1202.585       54.66310 1229.298       78.43302 1177.354       76.22486 158.2116 5.071260 154.8332 5.036219 3.378387       7.147110 
1 1 1 -15 6  10 f 164.3463 3.684605 1323.658       59.27301 1314.962       84.17431 1332.212       83.47939 163.6081 5.263007 164.6878 5.185050 -1.079727      7.388098 
1 1 1 -15 6  11 o 277.8730 5.462093 3790.529       148.5634 3773.594       210.0420 3807.483       210.1587 276.7136 7.762446 277.9619 7.731751 -1.248291      10.95607 
1 1 1 -15 6  12 o 76.35365 3.218783 286.1465       24.00228 298.3836       33.52886 273.2834       34.37568 77.87560 4.416672 74.48588 4.739469 3.389725       6.478392 
1 1 1 -15 6  13 o 206.3463 4.305208 2088.177       86.95548 2072.438       122.6053 2104.107       123.3453 205.2628 6.109088 206.8282 6.099320 -1.565384      8.632650 
1 1 1 -15 6  14 o 122.5125 3.771919 736.4879       45.17845 721.3456       54.69653 769.0000       80.14712 121.1662 4.620285 124.8649 6.580779 -3.698738      8.040751 
1 1 1 -15 6  15 o 94.67445 3.666381 440.0398       33.91212 409.1043       40.11638 517.5000       63.47929 91.20583 4.507549 102.3849 6.365664 -11.17904      7.799979 
1 1 1 -15 6  16 f 78.45159 3.741609 302.4270       28.64922 278.0884       33.39312 370.3000       55.76453 75.14453 4.561459 86.49583 6.637239 -11.35130      8.053561 
1 1 1 -15 6  17 o 101.6199 3.689262 506.9554       36.63558 513.2168       44.61882 494.0000       64.18122 102.1731 4.472276 99.97159 6.595662 2.201530       7.968940 
1 1 1 -15 6  18 o 205.8143 6.200607 2085.740       124.7730 1875.000       167.7086 2347.000       186.7316 194.5181 8.831273 217.6866 8.781571 -23.16852      12.45421 
1 1 1 -15 6  19 o 130.5282 3.882199 836.3514       49.54565 932.8000       85.33993 787.3139       60.85106 137.5204 6.357045 126.5232 4.922905 10.99729       8.040337 
1 1 1 -15 6  20 o 158.1679 4.222905 1228.503       65.32014 1241.000       109.8261 1221.662       81.25368 158.4872 7.097550 157.5781 5.275380 0.9091187      8.843351 
1 1 1 -15 6  21 o 27.79616 6.916921 39.59922       18.74363 53.11000       24.15504 19.15207       29.71558 32.15145 7.763865 23.79603 9.117675 8.355413       11.97538 
1 1 1 -15 6  22 o 30.57441 5.906185 47.56501       17.03563 30.12352       21.32826 78.30146       28.31330 24.85148 7.842710 39.14554 7.663693 -14.29406      10.96541 
1 1 1 -15 6  23 o 157.0487 3.662589 1210.098       56.30265 1183.484       78.82422 1237.821       80.44855 155.0313 5.201749 158.5563 5.190561 -3.524918      7.348477 
1 1 1 -15 6  24 o 78.40879 3.279841 302.0681       25.11676 277.8754       34.17436 330.4873       37.03931 75.04099 4.675832 81.86669 4.641218 -6.825699      6.588195 
1 1 1 -15 6  25 o 310.3821 6.073938 4753.811       184.5327 4507.886       251.7910 5039.172       271.2289 300.9205 8.557037 318.0698 8.720016 -17.14923      12.21727 
1 1 1 -15 6  26 o 232.1214 5.519472 2657.143       125.4062 2556.000       213.7173 2710.256       154.8717 225.6880 9.697045 233.8875 6.771991 -8.199448      11.82762 
1 1 1 -15 6  27 o 107.1821 3.802554 565.2783       39.83046 500.6000       69.37428 597.0822       48.64742 100.1664 7.122169 110.0381 4.526248 -9.871719      8.438733 
1 1 1 -15 6  28 o 106.7819 3.818818 561.3953       39.85042 549.4000       72.06829 566.6782       47.82747 104.8799 7.061291 107.1462 4.570813 -2.266228      8.411550 
1 1 1 -15 6  29 o 68.34280 4.313705 231.0883       28.70966 192.8000       53.66751 246.4383       33.98071 61.16874 9.252214 70.46571 4.958265 -9.296970      10.49704 
1 1 1 -15 6  30 o 191.2015 4.167845 1802.617       78.00260 1784.407       109.6500 1821.274       110.9868 189.4288 5.920933 191.3718 5.932148 -1.942963      8.381397 
1 1 1 -15 6  31 o 125.9625 3.398868 781.4794       41.86824 776.5756       58.64212 786.5781       59.79602 125.1750 4.795012 125.9586 4.859077 -0.7835541     6.826622 
1 1 1 -15 6  32 o 51.65318 5.154940 133.7279       25.71545 140.5000       33.42092 123.9000       40.26110 52.56306 6.643950 48.64114 8.779177 3.921921       11.00981 
1 1 1 -15 6  33 o 129.3460 4.911038 832.2332       62.06443 832.2332       62.06443 0.000000       0.000000 129.3460 4.911038 ?        ?        ?              ?        
1 1 1 -15 6  34 o 48.20059 5.039294 116.9122       23.42452 98.83211       28.27203 156.5000       41.83479 43.76205 6.822549 54.82423 8.034109 -11.06218      10.54012 
1 1 1 -15 6  35 o 51.10841 4.426771 130.6643       21.92736 142.1416       30.31562 118.0719       31.75434 52.87608 5.961120 47.79108 6.995243 5.085007       9.190667 
1 1 1 -15 6  36 o 90.56888 3.480258 406.0624       30.79553 405.9211       43.23243 406.2081       43.87766 90.04453 4.923818 90.04601 4.997811 -0.1480103E-02 7.015846 
1 1 1 -15 6  37 o 25.43543 8.357355 32.85484       24.05667 27.30569       27.89049 48.98000       47.54389 24.54231 8.945988 31.70851 11.66041 -7.166204      14.69680 
1 1 1 -15 6  38 o 17.28802 7.506177 -1.453331      23.58164 -21.91167      27.12219 61.92000       47.73566 15.64532 7.283737 34.03341 11.77307 -18.38808      13.84406 
1 1 1 -15 6  39 o 42.45068 5.567092 92.39973       22.57540 89.99048       31.52577 94.93548       32.34277 40.88812 8.163074 42.02602 8.156596 -1.137901      11.53975 
1 1 1 -15 6  40 o 41.57207 6.359479 90.17964       25.05656 66.73000       37.79519 108.5678       33.46864 34.43675 10.36653 45.01057 7.883708 -10.57382      13.02374 
1 1 1 -15 6  41 o 25.15302 8.093152 33.41155       22.62372 39.74683       31.62556 26.77154       32.37724 27.57970 9.580449 24.80271 9.513757 2.776997       13.50172 
1 1 1 -15 6  42 o 41.88267 6.120804 92.03776       24.35181 111.3127       33.87904 71.43454       35.02697 45.17952 7.951197 35.20678 9.803451 9.972740       12.62257 
1 1 1 -15 6  43 o 95.18581 3.726177 453.9406       34.64991 450.0334       48.99979 457.8485       49.00497 93.61961 5.369658 94.47090 5.321020 -0.8512878     7.559530 
1 1 1 -15 6  44 o 35.19556 7.494751 68.39585       25.02770 58.29934       35.81228 78.03461       34.99102 31.54449 10.18538 36.46398 9.653440 -4.919497      14.03321 
1 1 1 -15 6  45 f 79.49341 4.058524 319.1766       31.47500 344.8479       45.73836 296.0844       43.37996 81.36391 5.780695 75.24176 5.938223 6.122154       8.287275 
1 1 1 -15 6  46 o 13.77971 6.501277 -21.24019      22.86545 5.167809       33.57528 -44.08142      31.22567 20.66836 8.965327 14.53275 7.048184 6.135609       11.40412 
1 1 1 -15 6  47 o 23.70247 8.270379 30.04885       23.58149 33.21563       33.62003 26.98207       33.08492 25.46512 9.712724 24.15982 9.517684 1.305298       13.59865 
1 1 1 -15 6  48 o 45.95603 5.678184 111.7091       24.99947 71.49885       35.19181 152.6720       35.51965 34.13760 9.934574 52.82735 7.044595 -18.68974      12.17876 
1 1 1 -15 6  49 f 27.93374 8.258337 45.35716       24.15427 56.77679       35.36126 35.36819       33.07212 30.39671 10.13793 25.59634 9.663147 4.800367       14.00550 
1 1 1 -15 6  50 o 22.38149 9.090977 21.16544       31.14374 56.07000       53.49047 3.265000       38.30604 30.07704 12.01995 20.98908 9.322494 9.087957       15.21145 
1 1 1 -15 6  51 o 34.58112 9.003054 72.67268       30.76772 78.25120       37.67945 61.51000       53.30021 34.86824 10.31605 30.69741 12.08429 4.170828       15.88870 
1 1 1 -15 6  52 o 24.99404 8.828054 35.72345       26.92444 77.22892       36.65691 -12.90000      39.67584 34.74145 10.14751 19.35100 8.939543 15.39044       13.52359 
1 1 1 -15 6  53 o 23.08830 9.184118 25.78133       31.08446 -17.28000      48.27979 56.27000       40.62477 20.65831 9.650807 29.63002 10.79738 -8.971704      14.48176 
1 1 1 -15 6  54 o 20.54500 8.025177 19.43150       23.35278 12.75869       34.43586 25.11326       31.77591 21.34253 9.167326 23.01081 9.240984 -1.668280      13.01674 
1 1 1 -15 6  55 o 26.66055 8.266799 42.34983       23.80509 49.61089       35.27171 36.27566       32.26043 28.13015 10.08646 25.20325 9.537305 2.926903       13.88153 
1 1 1 -15 6  56 o 57.38195 5.030477 173.2748       27.96919 168.6786       40.75068 177.3682       38.45765 53.95928 7.953734 56.14542 7.160533 -2.186138      10.70211 
1 1 1 -15 6  57 o 16.91821 7.494972 0.2126542      24.60110 -1.386725      36.56582 1.535292       33.25218 19.60302 8.874038 19.26178 8.611948 0.3412380      12.36585 
1 1 1 -15 6  58 o 36.89980 7.428444 79.79630       25.90099 13.54859       37.58653 139.7017       35.74208 21.48386 9.399587 48.75558 7.748403 -27.27171      12.18154 
1 1 1 -15 7  1  o 207.1913 6.033898 2109.466       122.2398 0.000000       0.000000 2109.466       122.2398 ?        ?        207.1913 6.033898 ?              ?        
1 1 1 -15 7  2  o 286.9163 5.594993 4040.029       157.1307 4211.306       228.8873 3887.360       216.0967 292.4063 8.004560 280.9573 7.865551 11.44897       11.22229 
1 1 1 -15 7  3  o 145.5662 3.395187 1038.106       48.37607 1000.641       68.39006 1075.624       68.43816 142.7527 4.901704 148.0272 4.729425 -5.274460      6.811326 
1 1 1 -15 7  4  f 48.17510 3.490083 114.3035       16.34594 119.0058       23.71436 110.0471       22.56197 49.00198 5.014797 47.10746 4.967782 1.894512       7.058828 
1 1 1 -15 7  5  o 125.0666 3.179163 766.7203       38.88734 726.7272       54.46812 808.2993       55.53749 121.6545 4.582314 128.3231 4.428190 -6.668610      6.372321 
1 1 1 -15 7  6  o 27.21733 5.629393 37.70365       14.50204 37.52560       20.18373 37.89365       20.85050 27.18269 7.392228 27.34121 7.544971 -0.1585236     10.56275 
1 1 1 -15 7  7  o 207.7151 4.303240 2115.295       87.49231 2077.833       123.1337 2153.494       124.3408 205.5934 6.125565 209.3138 6.075320 -3.720413      8.627401 
1 1 1 -15 7  8  o 81.10493 3.084108 322.6969       24.43943 337.1173       35.16381 309.2222       33.99115 82.80564 4.353698 79.29214 4.396765 3.513504       6.187587 
1 1 1 -15 7  9  o 78.10423 3.092908 299.3076       23.59871 342.8606       34.38873 260.5428       32.44340 83.51894 4.220216 72.74364 4.579676 10.77530       6.227652 
1 1 1 -15 7  10 o 136.5601 3.782421 914.7438       50.51048 974.6000       87.55402 884.8846       61.83869 140.6768 6.374959 134.2269 4.713995 6.449890       7.928546 
1 1 1 -15 7  11 o 99.71680 3.094337 487.6168       30.16590 481.1469       42.52031 494.1730       42.80315 98.95109 4.401063 100.2869 4.370885 -1.335846      6.202741 
1 1 1 -15 7  12 o 116.4272 3.188002 664.6643       36.29697 676.9177       51.39646 652.4725       51.26714 117.3895 4.481215 115.2403 4.553909 2.149246       6.389004 
1 1 1 -15 7  13 o 73.23777 3.769528 263.6358       26.93176 268.4299       32.48629 253.1000       48.15948 73.83453 4.516661 71.37677 6.982377 2.457756       8.315877 
1 1 1 -15 7  14 o 93.82157 3.641552 432.1380       33.37874 431.0927       40.36083 434.4000       59.37273 93.63995 4.415886 93.75166 6.510408 -0.1117096     7.866732 
1 1 1 -15 7  15 o 230.3460 5.429576 2606.321       122.4201 2517.155       146.5731 2812.000       222.6132 226.0731 6.630843 238.1622 9.568789 -12.08917      11.64173 
1 1 1 -15 7  16 o 87.66574 3.670969 377.4388       31.43075 371.1333       37.82717 391.5000       56.48788 86.85635 4.464323 88.95913 6.532777 -2.102776      7.912481 
1 1 1 -15 7  17 o 90.17255 4.010448 399.5848       35.30901 295.3000       61.98606 449.6763       42.96009 76.87699 8.372542 95.60922 4.604023 -18.73223      9.554920 
1 1 1 -15 7  18 o 70.45190 3.848130 244.1372       26.43604 263.1000       39.28552 228.4443       35.73817 72.95776 5.542641 67.97022 5.416419 4.987541       7.749740 
1 1 1 -15 7  19 o 213.1872 5.096573 2232.776       106.3520 2105.000       174.9348 2307.691       133.9490 206.0776 8.691916 216.4214 6.329944 -10.34377      10.75256 
1 1 1 -15 7  20 o 78.35351 3.707125 301.7772       28.35101 276.0000       41.46543 324.4063       38.85092 74.69106 5.715081 81.11555 4.916259 -6.424484      7.538684 
1 1 1 -15 7  21 o 186.2669 4.051626 1702.691       73.87054 1610.520       101.1695 1807.949       108.1133 180.8205 5.723253 191.5834 5.771790 -10.76285      8.128295 
1 1 1 -15 7  22 o 21.70374 6.722736 23.13848       15.74772 24.05463       20.21828 21.72545       25.10929 22.79402 7.666723 23.23028 8.485070 -0.4362640     11.43569 
1 1 1 -15 7  23 o 122.1745 3.313324 732.6282       39.58673 679.5154       54.31240 792.8234       57.82028 117.4811 4.732764 126.9237 4.661973 -9.442665      6.643270 
1 1 1 -15 7  24 o 161.7768 3.723054 1284.658       58.95517 1187.118       80.07661 1400.106       87.11816 155.1956 5.279011 168.5567 5.286811 -13.36108      7.471167 
1 1 1 -15 7  25 o 87.05782 3.119966 372.2562       26.54367 346.6392       35.78311 403.5984       39.58029 83.85729 4.374570 90.48679 4.482721 -6.629501      6.263517 
1 1 1 -15 7  26 o 80.09828 3.193900 315.3461       24.99074 332.1352       34.48648 296.7807       36.26504 82.06508 4.308321 77.48714 4.805010 4.577934       6.453662 
1 1 1 -15 7  27 o 158.9734 3.666810 1241.930       57.05835 1205.963       79.30241 1280.534       82.15874 156.2513 5.192307 161.0068 5.220087 -4.755569      7.362700 
1 1 1 -15 7  28 o 114.8015 3.875364 649.0915       43.48540 524.6000       73.76786 715.3910       53.83350 102.3114 7.416434 120.3819 4.576958 -18.07048      8.715047 
1 1 1 -15 7  29 o 88.33288 4.703325 386.2790       40.51960 0.000000       0.000000 386.2790       40.51960 ?        ?        88.33288 4.703325 ?              ?        
1 1 1 -15 7  30 o 114.2018 4.968544 646.6158       55.40740 634.5000       79.42821 658.1000       77.32972 112.3080 7.264301 114.5234 6.930807 -2.215363      10.04023 
1 1 1 -15 7  31 o 19.86626 7.009316 17.51976       16.96979 18.03703       22.05026 16.76834       26.57628 21.28675 7.920352 22.15085 8.586824 -0.8641052     11.68185 
1 1 1 -15 7  32 o 24.12710 7.026842 29.91220       17.59999 39.24554       22.79985 16.14993       27.68589 27.50700 7.993921 22.25750 8.725134 5.249500       11.83346 
1 1 1 -15 7  33 o 40.42989 5.699735 83.18554       21.93092 94.60000       31.15059 71.96767       30.88118 42.54237 7.766731 36.75311 8.716826 5.789257       11.67498 
1 1 1 -15 7  34 o 38.37234 7.320466 77.06038       26.49262 77.06038       26.49262 0.000000       0.000000 38.37234 7.320466 ?        ?        ?              ?        
1 1 1 -15 7  35 o 19.36632 7.543438 12.72491       20.58642 24.24199       25.08012 -11.06000      36.04202 23.36920 8.488511 20.04331 8.963328 3.325893       12.34488 
1 1 1 -15 7  36 o 54.13297 5.230074 148.0100       27.36780 167.1699       32.21581 98.33000       51.87568 57.35602 5.818743 41.65596 12.04393 15.70006       13.37587 
1 1 1 -15 7  37 o 48.00155 5.790234 117.7082       26.65662 130.4026       31.37565 84.77000       50.54017 50.28424 6.528601 38.75233 12.05014 11.53191       13.70506 
1 1 1 -15 7  38 o 14.66191 6.603889 -8.498247      19.95475 8.241936       27.26068 -27.82207      29.28891 20.23090 8.391747 15.75365 7.409513 4.477246       11.19475 
1 1 1 -15 7  39 o 43.89762 5.907899 99.31898       24.74132 79.65000       37.75836 114.1181       32.75223 37.69175 10.05070 46.46430 7.453288 -8.772556      12.51272 
1 1 1 -15 7  40 o 29.76816 7.600880 48.02292       22.22161 49.01852       31.33646 47.01585       31.51651 29.96915 9.512448 29.46973 9.558239 0.4994240      13.48505 
1 1 1 -15 7  41 o 18.20658 7.531242 7.276481       21.87286 17.90498       30.37071 -4.177090      31.52750 22.59001 9.047239 19.19892 8.496057 3.391090       12.41111 
1 1 1 -15 7  42 o 46.31768 5.546134 111.1470       24.64520 93.55597       34.27255 129.9836       35.46519 40.78232 8.840992 49.00795 7.642372 -8.225636      11.68627 
1 1 1 -15 7  43 o 20.36185 7.944470 16.39934       22.86402 11.13619       32.07656 21.83533       32.59900 21.47784 9.020008 23.50142 9.386401 -2.023571      13.01787 
1 1 1 -15 7  44 o 18.82573 7.774342 9.330198       23.25483 -21.78672      32.49250 42.00679       33.29685 17.05774 7.951664 27.66706 9.813069 -10.60931      12.63033 
1 1 1 -15 7  45 o 56.72033 4.820549 165.1605       26.51011 153.0055       37.58639 177.1928       37.39625 52.92541 7.462244 57.51142 6.772762 -4.586010      10.07747 
1 1 1 -15 7  46 o 25.34374 8.175090 35.64497       23.07447 41.73984       33.47562 30.12783       31.84954 27.39769 9.825996 24.73840 9.449138 2.659286       13.63218 
1 1 1 -15 7  47 o 19.41394 7.843406 13.15649       23.04086 44.68428       33.52328 -15.07203      31.72077 27.90311 9.851089 17.40103 8.022460 10.50208       12.70448 
1 1 1 -15 7  48 o 21.79204 8.124857 23.31611       23.22649 25.36047       33.71178 21.46880       32.04595 23.80953 9.533176 22.82754 9.240108 0.9819984      13.27633 
1 1 1 -15 7  49 o 28.77283 8.698483 48.93007       26.57010 30.40261       34.62109 75.48000       41.44428 24.71536 9.736259 34.14553 10.95074 -9.430174      14.65310 
1 1 1 -15 7  50 o 22.60426 9.561663 17.36534       36.46315 -19.31000      52.26654 52.14000       50.89419 21.40799 10.01419 29.37355 11.72937 -7.965561      15.42278 
1 1 1 -15 7  51 o 18.74541 8.050905 6.616416       26.55380 53.79000       53.70459 -8.647964      30.54932 29.56094 11.96319 17.57455 8.016409 11.98639       14.40072 
1 1 1 -15 7  52 o 50.22225 7.400318 142.2714       35.29002 0.000000       0.000000 142.2714       35.29002 ?        ?        50.22225 7.400318 ?              ?        
1 1 1 -15 7  53 o 34.11119 8.259143 69.09777       27.27892 83.76750       35.83774 48.89000       42.06188 36.33725 9.836947 28.19766 10.83660 8.139582       14.63548 
1 1 1 -15 7  54 o 44.24686 6.790140 108.8804       28.47041 99.79298       36.81579 122.4000       44.90494 40.04862 9.530255 43.30391 10.66541 -3.255291      14.30304 
1 1 1 -15 7  55 o 27.09918 8.231691 43.89057       23.75557 52.27444       35.41938 37.03572       32.02707 28.67223 10.12556 25.32134 9.520127 3.350889       13.89820 
1 1 1 -15 7  56 o 38.94642 6.973204 85.73315       25.60692 108.5112       38.42600 67.53734       34.34413 41.50461 9.642996 32.28562 9.915375 9.218990       13.83120 
1 1 1 -15 7  57 f 35.63526 7.652442 74.69354       25.89501 68.40152       37.93621 80.18287       35.43386 31.71321 10.49826 34.92828 9.908264 -3.215073      14.43562 
1 1 1 -15 7  58 o 18.38019 7.762190 10.36836       23.96584 3.600914       35.21686 16.20583       32.70770 19.70935 8.833604 21.04996 8.985485 -1.340609      12.60046 
1 1 1 -15 8  1  o 255.3007 7.161018 3207.490       178.7738 0.000000       0.000000 3207.490       178.7738 ?        ?        255.3007 7.161018 ?              ?        
1 1 1 -15 8  2  o 202.1540 4.192330 2003.302       82.95526 2078.081       120.7329 1936.427       114.1746 205.6302 6.004789 198.5089 5.882509 7.121368       8.406034 
1 1 1 -15 8  3  o 340.4718 6.544816 5695.972       218.1146 5652.009       308.3778 5739.982       308.5436 338.3399 9.320465 340.9863 9.252840 -2.646393      13.13340 
1 1 1 -15 8  4  o 181.5300 3.894722 1615.074       69.20399 1571.903       97.35809 1659.164       98.38850 178.8686 5.567508 183.7824 5.475435 -4.913849      7.808812 
1 1 1 -15 8  5  o 333.6278 6.416676 5468.932       209.5456 5449.406       296.3315 5488.462       296.3529 332.2475 9.120548 333.4470 9.088274 -1.199493      12.87560 
1 1 1 -15 8  6  o 40.21379 4.165732 80.12401       16.16011 51.40117       22.40010 111.2980       23.33634 31.69559 7.361425 47.35435 5.115728 -15.65876      8.964444 
1 1 1 -15 8  7  o 204.5698 4.251631 2051.810       85.13405 2087.678       122.3229 2018.114       118.5607 206.0702 6.070996 202.6178 5.984570 3.452393       8.524792 
1 1 1 -15 8  8  o 148.8090 3.491181 1085.116       50.85198 1100.408       73.52335 1071.092       70.40884 149.6704 5.025735 147.6769 4.877583 1.993484       7.003487 
1 1 1 -15 8  9  o 298.9742 5.819766 4390.363       170.3120 4364.701       240.3876 4416.227       241.3304 297.4464 8.264530 299.2030 8.248108 -1.756592      11.67620 
1 1 1 -15 8  10 o 52.42064 3.604589 135.3121       18.38284 129.2732       24.85783 142.6007       27.30926 51.07792 5.037416 53.64158 5.269106 -2.563663      7.289653 
1 1 1 -15 8  11 o 299.7596 5.842263 4414.575       171.4196 4507.307       246.2288 4327.361       238.7902 302.1818 8.332571 296.1097 8.246711 6.072144       11.72348 
1 1 1 -15 8  12 o 96.87617 3.559936 460.6128       33.69971 464.6718       41.45155 452.7000       57.87571 97.23389 4.366428 95.76240 6.207859 1.471489       7.589677 
1 1 1 -15 8  13 o 121.9003 3.781267 729.2025       45.06329 719.0219       54.99774 750.0000       78.60738 120.9621 4.653721 123.3048 6.536289 -2.342743      8.023727 
1 1 1 -15 8  14 o 157.3766 5.171605 1217.487       79.55758 1217.487       79.55758 0.000000       0.000000 157.3766 5.171605 ?        ?        ?              ?        
1 1 1 -15 8  15 o 105.6864 3.872186 548.4407       39.98956 509.2000       72.61430 565.5224       47.90916 101.3864 7.367321 107.2537 4.574024 -5.867271      8.671742 
1 1 1 -15 8  16 o 213.1608 4.435618 2229.599       92.54815 2100.619       126.4142 2378.577       135.8615 206.5429 6.260098 219.7821 6.321927 -13.23923      8.896943 
1 1 1 -15 8  17 o 151.0924 4.068789 1120.627       60.11996 1118.000       99.69942 1122.129       75.36359 150.5158 6.784568 151.0645 5.104077 -0.5486603     8.490110 
1 1 1 -15 8  18 o 141.3809 3.935399 981.2137       54.40804 884.0000       85.32585 1047.824       70.62988 133.8275 6.533463 145.9793 4.950166 -12.15176      8.196967 
1 1 1 -15 8  19 o 259.4794 5.967607 3313.189       151.5686 3366.000       262.6623 3286.826       185.5843 259.9333 10.34422 257.9792 7.356886 1.954132       12.69357 
1 1 1 -15 8  20 o 192.7560 4.732806 1825.116       89.29618 1882.000       153.6454 1796.102       109.7312 194.8934 8.071552 190.9388 5.878238 3.954590       9.985170 
1 1 1 -15 8  21 o 148.6432 4.023500 1085.146       58.48650 1161.000       100.6230 1046.444       71.87465 153.2820 6.722908 145.8199 5.043207 7.462097       8.404251 
1 1 1 -15 8  22 o 47.34216 3.999832 110.7981       18.36189 119.7034       24.01457 98.26365       28.49066 49.07969 5.071790 44.11398 6.817709 4.965717       8.497306 
1 1 1 -15 8  23 o 109.4112 3.693522 588.1672       39.49896 535.7061       46.67122 720.6000       74.15295 104.2992 4.582719 120.6921 6.298673 -16.39282      7.789390 
1 1 1 -15 8  24 o 137.1975 3.396277 923.6246       45.60952 854.9069       61.76339 1006.040       67.63960 131.7394 4.797721 142.9161 4.842183 -11.17668      6.816514 
1 1 1 -15 8  25 o 143.9621 4.103743 1019.423       57.76849 988.2000       101.7431 1034.278       70.17765 140.9437 7.400780 144.8420 4.957226 -3.898254      8.907617 
1 1 1 -15 8  26 o 150.6250 4.192667 1116.821       61.75482 1122.000       110.2594 1114.453       74.54404 150.0164 7.532906 150.2637 5.075472 -0.2472382     9.083231 
1 1 1 -15 8  27 o 90.96140 3.147870 406.7126       27.98499 370.2408       37.72844 451.3234       41.72635 86.58643 4.466663 95.62025 4.470521 -9.033821      6.319545 
1 1 1 -15 8  28 o 69.59713 3.292683 238.5384       22.36734 224.2272       29.81986 256.9478       33.82098 67.27843 4.555032 71.98988 4.827544 -4.711449      6.637281 
1 1 1 -15 8  29 f 158.7154 3.698017 1240.020       57.45053 1136.247       77.55508 1366.211       85.52267 151.4016 5.241179 166.0221 5.269381 -14.62045      7.432115 
1 1 1 -15 8  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 8  31 o 39.77189 6.691416 81.27947       25.12568 -16.86000      47.81263 118.7205       29.53212 22.90801 10.27802 48.33029 6.399788 -25.42228      12.10764 
1 1 1 -15 8  32 o 14.09297 6.643923 -25.25304      23.79584 -94.21000      47.96401 -2.738932      27.40651 16.87033 8.298127 18.59696 8.083120 -1.726631      11.58429 
1 1 1 -15 8  33 o 51.06877 4.235979 130.0671       20.98427 126.0016       27.98538 135.2888       31.71597 49.84047 5.847527 51.48458 6.433570 -1.644112      8.693929 
1 1 1 -15 8  34 o 32.01562 6.724632 53.64609       20.40200 62.00000       28.18879 44.45591       29.56604 34.04754 8.488249 29.23851 9.234773 4.809032       12.54318 
1 1 1 -15 8  35 o 85.76067 4.768040 367.6774       39.86771 367.6774       39.86771 0.000000       0.000000 85.76067 4.768040 ?        ?        ?              ?        
1 1 1 -15 8  36 o 36.86529 7.774388 72.34628       27.16909 72.34628       27.16909 0.000000       0.000000 36.86529 7.774388 ?        ?        ?              ?        
1 1 1 -15 8  37 o 10.73935 5.270215 -37.01556      18.99194 -23.98953      25.01432 -54.74392      29.18212 14.61289 6.864980 13.36449 6.553224 1.248400       9.490664 
1 1 1 -15 8  38 o 37.83547 6.698669 75.12152       23.90037 41.93000       35.58707 102.3937       32.25806 28.81396 10.15178 43.86171 7.799401 -15.04775      12.80193 
1 1 1 -15 8  39 o 17.69918 7.353652 5.694959       20.98181 14.04160       28.94338 -3.549453      30.46022 21.71527 8.784481 19.14157 8.415607 2.573700       12.16510 
1 1 1 -15 8  40 o 34.92517 6.856763 64.99983       22.60325 53.85551       31.41049 76.96865       32.55169 31.15282 9.466012 37.15933 9.037640 -6.006514      13.08756 
1 1 1 -15 8  41 o 65.28952 4.240569 214.6487       26.95367 230.6179       38.29363 198.9689       37.94525 66.82012 5.915874 61.77842 6.366050 5.041706       8.690463 
1 1 1 -15 8  42 o 15.37264 6.924230 -7.697716      21.93962 -20.66325      30.26078 6.670113       31.85521 16.57576 7.709042 20.74317 8.861430 -4.167404      11.74539 
1 1 1 -15 8  43 o 25.30527 8.278831 34.75600       23.61759 19.69720       33.14068 50.29611       33.66615 23.16660 9.389613 29.70381 9.891588 -6.537214      13.63849 
1 1 1 -15 8  44 o 17.97937 7.647200 4.771819       23.54107 5.043390       33.05971 4.492476       33.52946 20.60472 8.917075 20.63658 8.955327 -0.3186226E-01 12.63773 
1 1 1 -15 8  45 o 41.67817 6.316453 92.86913       24.96184 58.24151       35.12534 128.1997       35.48007 31.30393 10.08541 48.11844 7.799773 -16.81451      12.74959 
1 1 1 -15 8  46 o 15.77284 7.085278 -6.179193      22.79758 -9.380466      32.71108 -3.155678      31.78993 18.41999 8.360261 18.97866 8.457238 -0.5586720     11.89197 
1 1 1 -15 8  47 o 60.61332 5.492572 192.2018       32.23405 154.8639       38.63662 277.7000       58.46600 52.77225 7.707086 69.74072 8.757263 -16.96847      11.66571 
1 1 1 -15 8  48 o 25.77297 8.707446 37.59781       26.07950 20.33084       34.41112 60.90000       39.97506 23.00410 9.474156 31.30105 10.77604 -8.296953      14.34861 
1 1 1 -15 8  49 o 52.13601 8.269157 156.1339       40.79243 115.9000       58.42612 194.4000       56.97950 39.98284 13.01744 55.44944 10.88697 -15.46660      16.96997 
1 1 1 -15 8  50 o 36.49001 7.046549 74.75182       24.25714 113.9449       37.07095 45.40564       32.07780 43.66360 8.973943 27.51108 9.642598 16.15252       13.17237 
1 1 1 -15 8  51 o 39.63353 7.281936 88.65797       27.20913 103.8000       50.63993 82.51225       32.26171 38.46661 12.07725 36.91804 9.008583 1.548573       15.06700 
1 1 1 -15 8  52 o 37.15987 7.901321 80.34628       27.85407 34.46000       52.21770 98.59528       32.93031 26.68943 11.37187 40.75891 8.528400 -14.06948      14.21453 
1 1 1 -15 8  53 o 19.74774 8.160527 13.64400       25.64561 55.52000       48.91533 -2.230088      30.11666 29.44189 11.58066 18.22038 8.167397 11.22151       14.17103 
1 1 1 -15 8  54 o 42.76070 6.157733 99.75072       25.03137 112.5692       37.61202 89.55947       33.53684 42.90039 9.230829 38.23612 9.094009 4.664265       12.95798 
1 1 1 -15 8  55 o 65.45550 6.112241 232.4633       38.70813 312.9000       62.19172 181.6000       49.45468 72.16284 8.999733 54.05973 9.702555 18.10312       13.23385 
1 1 1 -15 8  56 o 28.71897 8.915287 51.16821       27.67740 72.12039       37.25507 25.36000       41.34754 32.86740 10.36435 23.98492 10.16545 8.882484       14.51744 
1 1 1 -15 8  57 o 26.14418 8.483391 41.74960       24.82526 44.12660       36.77401 39.75930       33.65006 26.56904 10.15216 25.61946 9.730007 0.9495792      14.06198 
1 1 1 -15 8  58 o 16.55434 7.357806 0.1444080      23.90284 -23.37402      35.28876 20.08229       32.49165 16.80153 7.971211 21.61931 9.078724 -4.817781      12.08153 
1 1 1 -15 9  1  o 252.6830 5.021702 3132.512       124.2033 3078.511       174.6450 3187.774       176.6725 250.0824 7.141870 254.4938 7.099211 -4.411423      10.07001 
1 1 1 -15 9  2  o 61.24448 3.643509 184.4590       21.74331 253.2000       49.12190 167.7087       24.24817 71.40177 7.123416 58.33049 4.276675 13.07128       8.308610 
1 1 1 -15 9  3  o 208.6160 6.168938 2139.774       125.8308 2478.000       196.3335 1904.000       163.9229 223.9551 8.974449 196.3538 8.549409 27.60123       12.39488 
1 1 1 -15 9  4  o 118.5388 3.127959 688.8447       36.26168 729.4359       53.70560 654.8353       49.15902 121.8768 4.509639 115.4811 4.356778 6.395691       6.270435 
1 1 1 -15 9  5  f 244.8972 4.906371 2942.404       117.6117 2853.330       163.9932 3036.738       168.7655 240.7654 6.965982 248.3926 6.948095 -7.627258      9.838747 
1 1 1 -15 9  6  o 58.23997 3.575747 166.8473       20.28595 179.4000       32.17774 158.5675       26.13352 60.19908 5.522310 56.65639 4.756272 3.542683       7.288211 
1 1 1 -15 9  7  o 204.6787 4.260788 2054.277       85.36282 1965.250       118.4286 2150.547       123.1525 199.9070 6.059321 209.1332 6.022357 -9.226181      8.543077 
1 1 1 -15 9  8  o 91.71741 2.995157 412.5398       26.85312 380.6507       37.74104 445.2356       38.21549 87.98946 4.395969 95.20398 4.110576 -7.214523      6.018420 
1 1 1 -15 9  9  o 67.18153 3.255319 221.6686       21.34298 227.4290       30.27321 215.9760       30.09464 67.93605 4.579275 66.18555 4.675453 1.750496       6.544435 
1 1 1 -15 9  10 o 18.29842 6.456250 14.34191       14.39751 28.90655       18.60155 -7.420398      22.73798 24.13934 7.273913 16.33087 7.221591 7.808472       10.24994 
1 1 1 -15 9  11 o 15.13220 6.278101 2.651387       15.26206 14.76167       17.62004 -33.73000      30.54004 19.37785 7.103110 16.00347 7.539116 3.374386       10.35821 
1 1 1 -15 9  12 o 58.69554 3.863478 169.6444       22.07334 167.2625       26.31411 175.3000       40.54789 58.19899 4.658059 59.24596 7.135524 -1.046967      8.521339 
1 1 1 -15 9  13 o 100.0537 4.434601 492.1052       43.32253 492.1052       43.32253 0.000000       0.000000 100.0537 4.434601 ?        ?        ?              ?        
1 1 1 -15 9  14 o 277.8585 6.358511 3798.298       172.9360 3547.000       289.0042 3938.470       215.8441 266.8780 11.08746 282.4591 7.814403 -15.58112      13.56454 
1 1 1 -15 9  15 o 173.6815 3.852714 1479.254       65.49777 1411.001       90.50224 1554.317       94.91061 169.3708 5.466176 177.7736 5.460803 -8.402786      7.726541 
1 1 1 -15 9  16 o 106.9631 3.575673 561.5519       37.38412 570.8000       59.23872 555.4313       48.19272 107.6135 5.643560 106.2731 4.644101 1.340408       7.308724 
1 1 1 -15 9  17 o 189.8546 4.672765 1769.640       86.83629 1790.000       148.0430 1758.961       107.2179 190.2122 7.969049 189.0326 5.801478 1.179642       9.857123 
1 1 1 -15 9  18 o 53.73376 3.871871 142.3605       20.22798 125.1893       25.78978 169.8120       32.60842 50.18942 5.331089 58.47669 5.772122 -8.287266      7.857348 
1 1 1 -15 9  19 o 93.16433 3.202454 425.9973       29.16034 413.4407       39.71396 440.6866       42.95428 91.65844 4.439746 94.61241 4.652496 -2.953972      6.430946 
1 1 1 -15 9  20 o 111.8098 3.240371 613.4456       35.42603 585.4013       48.48508 645.5643       51.88778 109.0811 4.551008 114.5473 4.637381 -5.466240      6.497459 
1 1 1 -15 9  21 o 88.89146 3.204487 387.9447       27.83643 359.2213       38.38239 419.8157       40.43075 85.38451 4.609565 92.33990 4.486606 -6.955391      6.432551 
1 1 1 -15 9  22 o 145.1613 3.523566 1033.847       50.06559 991.1573       69.83205 1078.998       71.81652 141.8613 5.037031 148.0347 4.963283 -6.173477      7.071482 
1 1 1 -15 9  23 o 116.1755 3.860606 663.4206       43.84021 793.5000       84.82130 616.0049       51.21080 126.4997 6.876147 111.8252 4.689001 14.67445       8.322747 
1 1 1 -15 9  24 o 185.2212 4.704326 1689.074       85.22021 1646.000       148.1066 1710.394       104.1973 181.6840 8.350538 186.1214 5.726254 -4.437393      10.12529 
1 1 1 -15 9  25 o 130.1090 3.962546 832.8007       50.40591 881.5000       92.70634 812.3615       60.05928 133.1015 7.141895 128.3479 4.789029 4.753586       8.598923 
1 1 1 -15 9  26 f 207.0743 5.075554 2115.246       102.8764 2006.000       175.3505 2172.586       127.0374 199.7961 8.989334 209.3663 6.205808 -9.570190      10.92338 
1 1 1 -15 9  27 o 150.3411 4.209959 1113.887       61.89192 963.6000       103.7972 1196.801       77.09715 138.7002 7.675363 155.6011 5.068732 -16.90088      9.198002 
1 1 1 -15 9  28 o 103.1331 3.154000 523.1024       31.80207 459.5740       42.59625 603.1091       47.80249 96.40819 4.526532 110.4929 4.428846 -14.08474      6.332785 
1 1 1 -15 9  29 o 146.8317 3.541743 1061.158       50.90295 1027.754       70.53798 1097.456       73.53052 144.0104 5.011703 148.8030 5.055694 -4.792603      7.118793 
1 1 1 -15 9  30 o 54.12794 3.733928 145.0848       19.66185 145.9811       26.00677 143.8889       30.03922 54.05441 4.970914 53.45743 5.835479 0.5969772      7.665690 
1 1 1 -15 9  31 o 91.31453 4.075034 412.7371       36.33138 372.0000       66.32578 430.2003       43.42597 85.29478 8.039079 93.03381 4.784801 -7.739029      9.355271 
1 1 1 -15 9  32 o 78.23223 4.231997 303.8483       32.28624 302.1000       60.63026 304.5403       38.14431 76.53403 8.222138 78.09850 5.016299 -1.564468      9.631553 
1 1 1 -15 9  33 o 21.19857 8.218198 15.81876       24.34464 -35.93000      49.19458 32.60148       28.01551 21.19655 9.848249 26.04047 9.018635 -4.843922      13.35379 
1 1 1 -15 9  34 o 54.67223 4.647123 149.7490       24.63350 140.2365       28.85694 175.3000       47.29388 52.58846 5.696877 57.67921 8.642655 -5.090759      10.35132 
1 1 1 -15 9  35 o 101.5442 3.920687 511.9193       38.89618 543.4634       47.51006 447.8000       67.73613 104.3256 4.664317 93.21802 7.486495 11.10758       8.820627 
1 1 1 -15 9  36 o 19.32476 7.948645 8.053454       24.18104 8.053454       24.18104 0.000000       0.000000 19.32476 7.948645 ?        ?        ?              ?        
1 1 1 -15 9  37 o 24.29574 8.356110 28.98852       24.03502 32.70000       29.64586 21.87000       41.05679 26.04130 9.257138 25.90773 10.46893 0.1335716      13.97473 
1 1 1 -15 9  38 o 17.26693 7.409948 0.8832979      22.46013 -1.027938      27.00396 5.173000       40.45609 18.47232 8.026291 23.13154 9.936095 -4.659225      12.77291 
1 1 1 -15 9  39 o 33.96818 6.907822 61.41069       22.18470 71.58531       29.77100 48.70605       33.26714 36.11102 8.554854 30.02172 9.825823 6.089298       13.02814 
1 1 1 -15 9  40 o 57.63702 4.554987 167.8798       25.48897 201.6711       35.81406 133.1954       36.28423 62.55383 5.919582 49.86130 7.680676 12.69253       9.697125 
1 1 1 -15 9  41 o 41.24083 5.930747 88.93523       23.25341 74.34582       32.02184 105.2116       33.82256 36.23347 9.054848 43.75912 8.197605 -7.525650      12.21438 
1 1 1 -15 9  42 o 42.53252 5.981104 95.10139       24.21359 89.89299       33.65263 100.6921       34.86597 39.79285 8.866821 42.26991 8.716475 -2.477055      12.43372 
1 1 1 -15 9  43 o 31.39909 7.818933 55.14668       23.93877 88.22282       33.91203 22.29391       33.79733 39.19515 9.025764 23.71988 9.528777 15.47527       13.12486 
1 1 1 -15 9  44 o 36.83242 7.220594 74.51473       25.10115 92.31709       35.91722 57.51919       35.09388 39.74327 9.384036 31.21947 10.08290 8.523800       13.77407 
1 1 1 -15 9  45 o 24.91657 8.345963 33.96895       23.96153 59.91069       35.43879 12.12150       32.52219 31.65354 10.12372 21.51005 9.060865 10.14349       13.58635 
1 1 1 -15 9  46 o 18.50821 7.697947 8.824279       23.02733 25.51630       34.41022 -4.713520      30.98896 24.08525 9.635538 18.50654 8.291076 5.578703       12.71163 
1 1 1 -15 9  47 o 46.36672 6.380030 115.7863       28.18895 134.7867       36.87178 89.06000       43.73035 48.90601 7.977109 37.21531 11.13895 11.69071       13.70075 
1 1 1 -15 9  48 f 37.96286 10.01945 89.23048       37.76863 55.48000       55.07180 119.2000       51.89544 30.41924 12.18292 42.07653 12.00915 -11.65729      17.10682 
1 1 1 -15 9  49 o 18.93147 7.776858 11.84524       23.10854 -32.91066      35.04295 46.28289       30.73918 16.35962 7.812531 27.78164 9.452744 -11.42201      12.26336 
1 1 1 -15 9  50 o 24.63493 8.628680 34.50927       25.68374 76.95000       48.13904 17.62081       30.36694 33.44557 11.80510 21.50666 8.882969 11.93890       14.77388 
1 1 1 -15 9  51 o 15.55876 7.014456 -5.635268      22.57395 14.80686       35.18561 -19.93557      29.42894 21.90568 9.334242 15.93501 7.473416 5.970670       11.95743 
1 1 1 -15 9  52 o 70.11539 4.191990 252.2217       28.63864 270.0066       42.78188 237.7812       38.55018 70.62093 6.253568 66.51610 5.984907 4.104836       8.655994 
1 1 1 -15 9  53 o 16.60144 7.283338 0.8343197      22.70506 11.19517       34.70576 -6.918149      30.02092 21.15069 9.144853 17.56808 7.987549 3.582613       12.14205 
1 1 1 -15 9  54 o 27.45531 8.698666 45.53070       26.21453 63.59000       48.70436 38.16511       31.10435 30.66086 11.69131 25.58849 9.427716 5.072365       15.01894 
1 1 1 -15 9  55 o 29.39241 8.179070 51.86779       24.38971 64.66068       36.86576 41.91006       32.52511 31.31155 10.34845 26.35351 9.652144 4.958040       14.15112 
1 1 1 -15 9  56 o 19.76439 8.297119 13.14057       27.12446 -22.26698      36.73645 55.58000       40.21925 17.46309 8.239549 28.96423 10.71175 -11.50114      13.51414 
1 1 1 -15 9  57 o 26.00416 8.910279 41.89778       27.32152 73.08827       36.84270 3.787000       40.72530 32.73533 10.30470 20.83375 9.404433 11.90158       13.95099 
1 1 1 -15 9  58 o 20.76507 8.705946 17.45819       29.80389 7.119156       36.34034 38.70000       52.08886 20.33447 9.053045 26.05137 11.23325 -5.716900      14.42718 
1 1 1 -15 10 1  o 242.3766 5.600940 2884.596       132.8794 2609.000       216.8772 3050.232       168.1337 229.5646 9.673357 248.9314 6.906991 -19.36682      11.88614 
1 1 1 -15 10 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 10 3  f 346.8020 6.659865 5914.000       226.0753 5835.871       318.1846 5993.654       321.2754 343.5543 9.470918 348.1842 9.435452 -4.629883      13.36885 
1 1 1 -15 10 4  o 212.3572 4.375883 2211.590       90.95759 2107.232       126.0474 2324.974       131.3855 206.9757 6.228776 217.4239 6.179807 -10.44818      8.774261 
1 1 1 -15 10 5  o 160.9111 3.629188 1269.030       57.16126 1207.847       80.13717 1332.401       81.55801 156.7770 5.229423 164.6908 5.065330 -7.913849      7.280414 
1 1 1 -15 10 6  o 240.5990 4.839279 2840.465       113.9674 2851.829       162.6817 2829.513       159.7079 240.6582 6.913249 239.7350 6.812859 0.9232330      9.706084 
1 1 1 -15 10 7  o 125.3870 3.243776 770.8779       39.77817 716.2927       56.01223 826.4191       56.50061 120.7322 4.748992 129.7247 4.456252 -8.992432      6.512381 
1 1 1 -15 10 8  o 166.3702 3.729918 1356.815       60.74088 1294.868       85.24003 1420.720       86.57672 162.3010 5.372981 170.0355 5.207958 -7.734573      7.482763 
1 1 1 -15 10 9  o 48.62141 5.907814 117.8646       27.54015 70.12000       50.56582 138.0000       32.83788 37.88256 12.09039 52.57288 6.520982 -14.69032      13.73684 
1 1 1 -15 10 10 o 144.3951 3.995904 1023.171       56.42299 993.5492       68.99105 1083.000       98.04862 142.1835 4.964828 148.1938 6.777296 -6.010269      8.401265 
1 1 1 -15 10 11 o 164.0918 5.327995 1323.818       85.46352 1323.818       85.46352 0.000000       0.000000 164.0918 5.327995 ?        ?        ?              ?        
1 1 1 -15 10 12 o 87.56157 3.962969 376.7489       33.87765 372.8000       65.25674 378.2058       39.63751 86.60387 7.780925 87.66639 4.635680 -1.062523      9.057170 
1 1 1 -15 10 13 o 120.4364 3.245871 711.3856       38.22956 648.2037       52.15519 784.7493       56.20071 114.8288 4.649856 126.3747 4.550772 -11.54585      6.506203 
1 1 1 -15 10 14 o 19.09653 6.549598 16.36950       14.76311 17.37557       17.96833 14.27943       25.89846 20.25891 7.206357 21.70648 8.459201 -1.447565      11.11259 
1 1 1 -15 10 15 o 278.0886 6.316665 3805.715       171.9401 3916.000       301.4454 3752.532       209.3316 280.3199 11.00763 275.6451 7.766250 4.674774       13.47154 
1 1 1 -15 10 16 f 209.6109 5.008481 2158.148       102.7605 2131.000       173.9321 2172.705       127.3660 207.3889 8.586740 210.0237 6.202332 -2.634796      10.59250 
1 1 1 -15 10 17 o 68.53297 3.343640 230.8022       22.36210 226.3582       29.86539 236.4731       33.73690 67.75253 4.529373 69.19924 5.014809 -1.446709      6.757480 
1 1 1 -15 10 18 o 105.5065 3.214357 546.2109       33.15682 510.9781       45.29749 586.8771       48.66507 101.9081 4.552573 109.2275 4.561799 -7.319420      6.444837 
1 1 1 -15 10 19 o 95.44589 3.214686 447.1410       29.99037 445.9077       41.62157 448.4727       43.25092 95.18489 4.479860 95.43908 4.643746 -0.2541885     6.452404 
1 1 1 -15 10 20 o 75.48755 3.221255 279.9119       23.74690 272.6741       32.55611 288.1410       34.71405 74.37312 4.493042 76.44031 4.661725 -2.067192      6.474497 
1 1 1 -15 10 21 o 125.1095 3.320242 768.2577       40.62396 676.7529       54.69434 880.8546       60.67135 117.2315 4.776417 133.7931 4.639824 -16.56161      6.658988 
1 1 1 -15 10 22 o 115.2257 3.194010 651.7073       35.98926 651.7184       50.06121 651.6955       51.77504 115.0676 4.453104 115.0425 4.607179 0.2503204E-01  6.407514 
1 1 1 -15 10 23 o 236.0720 5.598334 2747.606       129.3629 2673.000       222.7278 2785.586       158.9150 230.8704 9.878821 237.1708 6.852562 -6.300369      12.02284 
1 1 1 -15 10 24 o 151.8974 3.564898 1132.979       53.00339 1056.588       72.06930 1222.976       78.22469 146.3601 5.038129 157.4651 5.081858 -11.10495      7.155978 
1 1 1 -15 10 25 o 41.51883 4.205764 85.66295       16.85663 79.19568       21.48515 96.01790       27.18640 39.64312 5.700582 43.54446 6.583759 -3.901340      8.708761 
1 1 1 -15 10 26 o 56.42444 3.435566 156.9987       18.88463 155.5991       24.96059 158.8722       28.87985 56.00519 4.593569 56.47388 5.285879 -0.4686928     7.002956 
1 1 1 -15 10 27 o 128.7275 3.958818 816.5982       49.82261 703.9000       85.58739 874.3630       61.27496 118.4734 7.417671 133.0183 4.713598 -14.54489      8.788621 
1 1 1 -15 10 28 o 135.4471 3.404126 902.9446       45.09591 945.8217       64.60061 862.1910       62.98073 138.2531 4.780900 131.9601 4.884373 6.292969       6.834772 
1 1 1 -15 10 29 o 81.40601 3.180678 326.4188       25.29565 266.4088       33.43104 406.7902       38.68913 73.24362 4.687697 90.64521 4.373420 -17.40159      6.411030 
1 1 1 -15 10 30 o 41.04727 4.446158 84.28770       17.57898 71.76500       22.50882 103.8690       28.14648 37.39305 6.378365 45.10503 6.567953 -7.711971      9.155411 
1 1 1 -15 10 31 o 33.22555 5.608216 56.48622       17.59049 36.41080       22.53806 87.77403       28.13662 26.58489 8.005745 41.14164 7.251772 -14.55675      10.80186 
1 1 1 -15 10 32 o 73.68779 4.373575 270.1658       31.40367 303.4000       61.28992 258.3347       36.56864 76.54437 8.313677 71.79475 5.239747 4.749619       9.827114 
1 1 1 -15 10 33 o 27.28725 9.789510 34.76069       33.23037 30.04000       52.18721 37.98000       43.09658 29.56043 11.85253 29.41477 11.04680 0.1456642      16.20229 
1 1 1 -15 10 34 o 36.52213 7.751606 70.76830       26.85277 72.29000       53.88955 70.26567       30.97173 36.67574 12.51524 36.08639 8.839437 0.5893517      15.32211 
1 1 1 -15 10 35 o 26.90093 6.913888 38.25858       18.30343 47.84349       23.71497 24.13670       28.78557 29.91481 7.959986 23.99457 9.024606 5.920242       12.03349 
1 1 1 -15 10 36 o 41.50017 5.520077 88.04703       21.86781 100.2000       30.46557 75.13100       31.40743 43.63948 7.396053 37.19527 8.770299 6.444210       11.47256 
1 1 1 -15 10 37 o 77.21129 4.801631 299.6103       36.10947 343.5000       47.82269 241.4000       55.07479 82.11022 5.991420 67.38281 8.541872 14.72741       10.43363 
1 1 1 -15 10 38 o 49.47272 5.479711 125.0026       26.09127 142.9244       31.82743 88.28000       45.55926 52.59886 6.307512 39.20607 11.27205 13.39280       12.91680 
1 1 1 -15 10 39 o 56.59877 5.072236 162.8410       27.80279 166.5743       33.84961 155.1000       48.74200 56.74271 6.195009 52.70314 9.809346 4.039577       11.60178 
1 1 1 -15 10 40 o 14.34253 6.591653 -13.04641      21.18016 -53.18890      28.50969 36.39817       31.64096 13.10687 6.437113 26.70657 9.555905 -13.59970      11.52179 
1 1 1 -15 10 41 f 15.53535 6.941183 -5.887691      21.56290 -24.29060      29.02870 16.76640       32.20754 15.78737 7.409972 22.58253 9.217841 -6.795163      11.82693 
1 1 1 -15 10 42 o 20.66243 7.893417 18.26015       22.22746 13.41453       30.87315 23.47486       32.02737 21.58158 8.939306 23.69701 9.355370 -2.115427      12.93963 
1 1 1 -15 10 43 o 16.32931 7.210319 -2.783818      22.58741 10.75321       31.53843 -17.03921      32.36444 21.17597 8.921602 17.53021 8.089688 3.645758       12.04317 
1 1 1 -15 10 44 o 14.36852 6.666236 -15.20400      22.41632 -45.88554      32.05717 14.15257       31.35735 14.66731 7.119969 21.63922 8.990171 -6.971907      11.46809 
1 1 1 -15 10 45 o 53.53490 5.058274 148.2608       26.19180 160.4789       38.49232 137.7264       35.74199 54.09125 7.469254 50.01390 7.534700 4.077347       10.60950 
1 1 1 -15 10 46 o 54.92027 5.571039 158.2808       29.53460 165.8853       38.14647 146.9000       46.66629 55.00183 7.262827 49.46338 9.983114 5.538456       12.34549 
1 1 1 -15 10 47 f 33.07380 10.28829 68.04111       36.83775 39.14000       53.09288 94.87000       51.15408 28.13733 11.69469 37.44517 12.17965 -9.307844      16.88519 
1 1 1 -15 10 48 o 26.51241 8.121563 40.58778       23.06015 29.07181       34.54679 49.84237       30.96963 24.44446 9.695500 28.79866 9.483418 -4.354195      13.56237 
1 1 1 -15 10 49 o 31.99963 8.230701 60.33842       25.92574 94.94000       46.94545 45.15479       31.09807 37.33461 11.61440 27.47881 9.502594 9.855801       15.00645 
1 1 1 -15 10 50 o 21.01879 8.023974 21.40161       22.95850 29.25097       35.48268 15.74895       30.11103 24.33329 9.767521 21.11006 8.793230 3.223225       13.14250 
1 1 1 -15 10 51 o 14.26517 6.640175 -14.50103      22.52742 24.17387       34.50745 -43.22562      29.73892 23.26479 9.524095 13.87664 6.763566 9.388145       11.68136 
1 1 1 -15 10 52 o 26.10049 8.157451 40.10432       23.12960 -9.552062      34.99574 78.61994       30.82095 18.53168 8.500703 36.00047 8.817593 -17.46879      12.24793 
1 1 1 -15 10 53 o 41.83555 6.063199 95.28799       24.10584 104.1805       36.29007 88.26595       32.24833 41.20449 9.227697 38.18204 8.808026 3.022453       12.75663 
1 1 1 -15 10 54 o 22.44248 8.139832 27.53747       23.05057 11.16363       34.38646 40.89930       31.06313 20.98157 9.087183 26.12516 9.452923 -5.143591      13.11238 
1 1 1 -15 10 55 o 21.76476 8.574750 22.94489       26.85574 -10.51000      49.97018 36.53248       31.84582 21.34003 9.918548 25.15448 9.485397 -3.814453      13.72408 
1 1 1 -15 10 56 o 29.33625 8.959415 54.03076       28.09091 -0.9484000     51.49814 77.31844       33.51627 22.22121 10.23649 34.62035 9.570673 -12.39914      14.01369 
1 1 1 -15 10 57 o 29.90174 10.37535 61.36702       37.08635 61.36702       37.08635 0.000000       0.000000 29.90174 10.37535 ?        ?        ?              ?        
1 1 1 -15 10 58 o 31.28203 9.881936 66.88985       33.85381 134.3000       56.52269 29.18000       42.27538 40.50964 12.76509 23.92249 10.21370 16.58715       16.34831 
1 1 1 -15 11 1  o 202.3792 6.032753 2014.480       119.3721 2119.000       176.3027 1926.000       162.2114 207.0161 8.720117 197.4169 8.413717 9.599197       12.11739 
1 1 1 -15 11 2  o 209.6834 6.195144 2162.983       127.0121 2450.000       195.9447 1955.000       166.7993 222.5460 9.013782 198.8580 8.589551 23.68803       12.45105 
1 1 1 -15 11 3  o 148.4690 3.452536 1080.274       50.17416 1051.212       71.61064 1108.300       70.32090 146.2642 5.009273 150.2132 4.788785 -3.948975      6.930027 
1 1 1 -15 11 4  o 62.75647 3.145789 193.4502       19.26227 210.3348       29.89263 181.4610       25.18918 65.30602 4.707923 60.67902 4.268238 4.626995       6.354715 
1 1 1 -15 11 5  o 209.9201 4.349702 2161.385       89.37576 2031.674       122.9893 2306.535       130.1034 203.2038 6.190648 216.5335 6.144643 -13.32974      8.722428 
1 1 1 -15 11 6  f 87.42021 3.014636 374.8679       25.75743 334.6222       36.92466 413.0127       35.94801 82.45827 4.592990 91.68935 4.015170 -9.231079      6.100586 
1 1 1 -15 11 7  o 7.773512 3.890142 -34.92366      12.45358 -44.55830      17.46736 -24.96312      17.76033 9.527272 4.742459 11.54519 5.526510 -2.017920      7.282392 
1 1 1 -15 11 8  o 62.48083 3.718491 192.0553       22.63866 193.7276       29.11930 189.5000       35.99435 62.64740 4.784870 61.79972 6.026829 0.8476868      7.695301 
1 1 1 -15 11 9  o 133.4525 3.828969 873.9273       49.96495 851.8864       61.65429 916.1000       85.28334 131.6585 4.792181 136.3189 6.409432 -4.660400      8.002863 
1 1 1 -15 11 10 o 62.22252 4.702861 191.0901       28.43078 191.0901       28.43078 0.000000       0.000000 62.22252 4.702861 ?        ?        ?              ?        
1 1 1 -15 11 11 o 21.14833 7.858360 16.93117       21.69272 8.406000       49.62024 18.94550       24.11973 27.09153 11.28661 22.32037 8.287742 4.771166       14.00265 
1 1 1 -15 11 12 o 99.80244 3.172959 488.6265       30.95706 479.4248       43.89580 497.7316       43.66490 98.73389 4.554303 100.6166 4.444568 -1.882744      6.363636 
1 1 1 -15 11 13 o 147.3540 3.968817 1065.731       57.19178 1067.000       95.81593 1065.029       71.28288 147.0576 6.673862 147.1876 4.954813 -0.1299896     8.312076 
1 1 1 -15 11 14 o 148.6985 3.986573 1085.343       57.97231 1058.000       95.87447 1101.102       72.78593 146.4174 6.707475 149.6530 4.975768 -3.235535      8.351556 
1 1 1 -15 11 15 o 108.8054 3.551201 581.0851       37.77024 548.9000       58.85118 603.6270       49.25193 105.4972 5.720521 110.7962 4.551114 -5.298950      7.310061 
1 1 1 -15 11 16 o 68.60687 3.337205 231.3002       22.34354 214.6616       30.32472 251.0610       33.04766 65.94654 4.729242 71.34155 4.759741 -5.395004      6.709759 
1 1 1 -15 11 17 o 11.40333 5.225390 -9.420088      13.17693 -10.56845      15.50784 -6.437922      24.99062 12.45487 5.692725 17.36799 7.629704 -4.913119      9.519427 
1 1 1 -15 11 18 o 211.7540 5.054997 2204.124       104.7753 2268.000       181.5182 2172.208       128.3081 213.7209 8.695106 209.8822 6.252546 3.838715       10.70977 
1 1 1 -15 11 19 o 64.52219 3.303846 204.6805       20.79634 191.2946       27.91954 221.3634       31.16895 62.23094 4.616358 66.94663 4.788111 -4.715691      6.651073 
1 1 1 -15 11 20 o 114.8664 3.583961 648.0063       40.24674 655.2000       64.92253 643.5162       51.29159 115.1840 5.776775 114.3394 4.592281 0.8446045      7.379714 
1 1 1 -15 11 21 o 75.24597 3.192520 278.1997       23.46038 310.5358       32.01803 240.7127       34.47391 79.40562 4.133663 69.75822 5.083704 9.647400       6.552192 
1 1 1 -15 11 22 o 186.2945 4.038511 1704.966       73.64233 1679.342       103.1318 1731.622       105.1907 184.4537 5.719051 187.2985 5.744475 -2.844788      8.105957 
1 1 1 -15 11 23 o 173.3990 3.850786 1477.132       65.35852 1374.387       88.76487 1598.796       96.59225 166.8580 5.442132 179.9652 5.489789 -13.10715      7.730110 
1 1 1 -15 11 24 o 141.0493 3.458935 977.0617       47.75507 966.2175       66.98193 988.2722       68.10378 139.9377 4.897637 141.5216 4.923845 -1.583847      6.944861 
1 1 1 -15 11 25 o 52.56512 3.554801 136.3935       18.18265 150.5354       23.92626 117.0621       27.97389 55.10453 4.474359 48.25848 6.055003 6.846050       7.528808 
1 1 1 -15 11 26 o 67.24419 4.209846 223.5962       27.57038 214.6000       54.85131 226.6374       31.89182 64.73581 8.890995 67.58874 4.852874 -2.852928      10.12917 
1 1 1 -15 11 27 o 135.4097 4.059822 904.3409       53.74924 778.9000       93.05405 967.1471       65.84410 124.4148 7.678533 139.8191 4.818297 -15.40432      9.065090 
1 1 1 -15 11 28 o 90.59873 3.148840 404.0660       27.88164 376.2782       38.01435 436.4184       41.01791 87.16408 4.470509 93.88673 4.476264 -6.722656      6.326325 
1 1 1 -15 11 29 o 50.46562 3.836281 126.3171       18.80815 147.1581       25.26892 100.4281       28.16333 54.30070 4.803671 44.31607 6.701651 9.984638       8.245446 
1 1 1 -15 11 30 o 53.47756 3.731313 141.7685       19.40915 146.7578       25.76115 135.2177       29.51819 54.16758 4.912044 51.71613 5.938842 2.451443       7.707011 
1 1 1 -15 11 31 o 106.4605 3.257307 559.0873       33.90334 593.9073       48.15051 524.8511       47.74518 109.3393 4.508697 102.6860 4.763182 6.653366       6.558677 
1 1 1 -15 11 32 o 18.60311 7.042771 13.09250       17.59612 13.64268       19.61082 10.82000       39.85619 19.34628 7.408400 24.20212 10.10161 -4.855843      12.52705 
1 1 1 -15 11 33 o 20.98925 8.250203 14.56937       24.81115 28.70000       52.17017 10.43919       28.20501 29.28271 11.81233 21.06622 8.615721 8.216494       14.62059 
1 1 1 -15 11 34 o 62.79251 4.819223 197.8657       29.39402 196.7000       59.68351 198.2390       33.77407 59.96666 10.55328 62.59499 5.570488 -2.628334      11.93323 
1 1 1 -15 11 35 o 68.67989 5.403563 238.3465       36.03350 0.000000       0.000000 238.3465       36.03350 ?        ?        68.67989 5.403563 ?              ?        
1 1 1 -15 11 36 o 53.09738 5.673530 143.7145       29.03072 167.2000       62.31309 137.2039       32.80881 53.93514 12.10154 51.48375 6.666889 2.451393       13.81646 
1 1 1 -15 11 37 o 16.00562 6.813023 1.543452       18.71071 -2.615087      24.52515 7.334658       28.94182 17.37130 7.596678 20.49255 8.584558 -3.121250      11.46317 
1 1 1 -15 11 38 o 17.97386 7.350986 7.732582       20.53209 21.47000       27.85015 -8.623876      30.38922 22.96786 8.820125 18.36187 8.219537 4.605991       12.05634 
1 1 1 -15 11 39 o 16.60989 7.227656 -1.117982      21.96458 -13.74964      25.17947 39.09000       44.92339 15.81412 7.237828 28.91503 11.17624 -13.10091      13.31519 
1 1 1 -15 11 40 o 47.32780 5.725578 116.1745       25.98561 100.1268       30.77898 156.0000       48.48728 43.00018 7.590098 52.40114 9.813805 -9.400955      12.40646 
1 1 1 -15 11 41 o 42.75666 6.372600 96.93643       25.85679 82.93737       30.64901 131.5000       48.15888 38.45747 8.379409 46.99496 10.70880 -8.537498      13.59753 
1 1 1 -15 11 42 o 19.79533 7.750149 15.24227       21.82097 15.35227       28.93504 15.09720       33.22731 21.46021 8.745567 22.33596 9.264796 -0.8757572     12.74054 
1 1 1 -15 11 43 o 62.61678 4.413335 199.5126       26.87651 190.0175       37.25550 209.8168       38.81043 59.82486 6.464686 62.94641 6.387334 -3.121552      9.087914 
1 1 1 -15 11 44 o 24.07865 8.183661 31.20568       23.03863 43.96420       32.95021 19.00261       32.22498 27.90631 9.773455 22.64955 9.229705 5.256752       13.44276 
1 1 1 -15 11 45 o 18.81881 8.016834 6.181980       25.94281 10.94178       33.34554 -1.117000      41.29280 21.41532 9.104746 21.48478 9.601984 -0.6945801E-01 13.23233 
1 1 1 -15 11 46 o 33.26926 10.44738 68.77128       37.89237 102.4000       55.56676 39.54000       51.80644 38.59153 12.70269 28.20627 11.62152 10.38526       17.21680 
1 1 1 -15 11 47 o 15.08573 6.907199 -10.55621      22.96183 -20.89316      33.91603 -1.808774      31.19963 17.30162 8.084685 18.83875 8.387656 -1.537130      11.64967 
1 1 1 -15 11 48 o 19.88922 8.136110 14.07815       25.15900 -26.41000      44.44054 33.17521       30.52099 19.27527 9.084739 24.76394 9.297187 -5.488668      12.99885 
1 1 1 -15 11 49 o 39.06253 7.155922 85.82842       26.35303 114.1000       47.20712 73.02939       31.76297 41.26210 11.33959 34.49948 9.226778 6.762623       14.61915 
1 1 1 -15 11 50 o 34.92889 7.228345 69.23458       23.89807 69.92103       36.19175 68.70389       31.82227 33.02556 10.18507 33.31238 9.369097 -0.2868156     13.83892 
1 1 1 -15 11 51 o 32.05038 7.623302 59.67806       23.56542 114.5290       36.49876 20.46700       30.85960 43.69869 8.837086 22.01514 9.008893 21.68355       12.61960 
1 1 1 -15 11 52 o 16.63263 7.264158 1.674696       22.36139 -15.60067      33.79205 15.13259       29.82562 17.54349 8.154803 20.83962 8.721241 -3.296135      11.93989 
1 1 1 -15 11 53 o 29.44022 7.865935 51.13731       23.09866 47.52258       34.38813 54.10903       31.17989 27.72279 9.957022 29.39527 9.504883 -1.672480      13.76536 
1 1 1 -15 11 54 o 28.50459 8.075709 48.60868       23.55401 28.89624       34.97129 64.97547       31.86569 23.91616 9.662754 31.96936 9.494071 -8.053207      13.54645 
1 1 1 -15 11 55 o 38.02977 7.105498 82.49587       25.47758 59.77007       38.38883 100.3852       34.05984 29.98352 10.54550 40.53742 8.833979 -10.55389      13.75670 
1 1 1 -15 11 56 f 33.71929 9.217190 72.55001       31.28551 91.88919       37.99522 31.83000       55.13329 37.11972 10.16203 25.81346 11.33638 11.30626       15.22433 
1 1 1 -15 11 57 o 15.70616 7.257987 -10.40823      26.18291 9.561000       47.30470 -19.22790      31.43763 22.26019 10.08349 16.19165 7.634313 6.068539       12.64751 
1 1 1 -15 12 1  o 155.7039 5.122564 1191.542       77.96535 1378.000       122.6185 1065.000       101.0145 167.0651 7.517580 146.9112 7.045147 20.15385       10.30282 
1 1 1 -15 12 2  f 201.2399 6.025721 1992.441       118.5604 2082.000       174.7153 1916.000       161.4132 205.1349 8.721222 196.8511 8.396409 8.283783       12.10617 
1 1 1 -15 12 3  o 101.4456 3.057637 504.6924       30.32699 465.3355       44.24753 539.5609       41.64808 97.27045 4.660874 104.8149 4.067154 -7.544456      6.185910 
1 1 1 -15 12 4  o 192.4960 4.081483 1817.186       76.90348 1749.439       107.9804 1886.920       109.5525 188.5820 5.856866 195.8814 5.719900 -7.299347      8.186583 
1 1 1 -15 12 5  o 104.0965 3.061355 531.4007       31.15904 503.7647       45.44790 555.9126       42.80210 101.2205 4.599124 106.3875 4.118026 -5.166969      6.173336 
1 1 1 -15 12 6  o 52.40546 3.585099 135.2510       18.27932 102.0950       27.38835 161.8829       24.54628 45.12034 6.379083 57.27464 4.412407 -12.15429      7.756419 
1 1 1 -15 12 7  o 66.98892 4.033218 220.8689       26.32357 178.3000       36.69499 266.0000       37.78315 59.87434 6.358332 73.40438 5.294163 -13.53004      8.273848 
1 1 1 -15 12 8  o 264.0567 6.077873 3428.659       157.0923 3464.007       194.8417 3363.000       265.5531 264.9786 7.519764 260.1176 10.45107 4.861084       12.87523 
1 1 1 -15 12 9  o 146.8994 7.640810 1067.000       109.4890 1067.000       109.4890 0.000000       0.000000 146.8994 7.640810 ?        ?        ?              ?        
1 1 1 -15 12 10 o 90.23792 3.156116 399.5396       27.83423 363.5096       39.73832 434.2419       38.99917 85.92408 4.743256 93.98638 4.250202 -8.062302      6.368885 
1 1 1 -15 12 11 o 47.38990 3.961324 110.9119       18.20727 120.5128       25.11302 100.2729       26.43581 49.24830 5.292520 44.72749 6.205176 4.520813       8.155671 
1 1 1 -15 12 12 o 30.19508 5.866740 46.35793       16.71464 52.02000       22.89202 39.89252       24.46217 31.84728 7.472954 28.19128 8.304637 3.656000       11.17193 
1 1 1 -15 12 13 o 144.2850 3.920314 1021.879       55.31535 1036.000       93.62914 1014.307       68.55939 144.8871 6.619482 143.6324 4.883605 1.254700       8.226004 
1 1 1 -15 12 14 o 120.9612 3.636444 718.1548       43.00668 657.1000       68.05631 758.7451       55.49055 115.4004 6.046060 124.2340 4.571026 -8.833549      7.579519 
1 1 1 -15 12 15 o 163.6763 4.210241 1315.656       67.39666 1308.000       113.7887 1319.793       83.64774 162.6710 7.163895 163.7821 5.224412 -1.111145      8.866559 
1 1 1 -15 12 16 o 77.85665 3.247298 297.7010       24.69276 311.1722       34.34011 283.2784       35.53205 79.48531 4.431301 75.78241 4.815012 3.702896       6.543758 
1 1 1 -15 12 17 o 30.28553 5.565161 46.53785       15.88978 55.28448       19.72506 30.37013       26.81774 32.94901 6.346230 25.80883 8.828194 7.140181       10.87252 
1 1 1 -15 12 18 o 14.97435 6.011187 5.138059       13.43998 2.553717       16.52204 10.19322       23.10766 15.64351 6.514654 19.89355 7.916811 -4.250035      10.25264 
1 1 1 -15 12 19 o 198.1459 4.798161 1930.319       93.06065 1983.000       161.1262 1903.949       113.9966 199.7777 8.257531 196.4633 5.934751 3.314377       10.16898 
1 1 1 -15 12 20 o 175.1475 3.887233 1506.193       66.64241 1445.107       92.47388 1572.198       96.12535 171.1915 5.525863 178.5728 5.505994 -7.381271      7.800713 
1 1 1 -15 12 21 o 104.4290 3.167651 535.4557       32.34167 560.7710       45.62656 509.8914       45.85032 106.7169 4.377246 101.7165 4.617198 5.000427       6.362296 
1 1 1 -15 12 22 o 279.5219 5.539620 3853.868       151.5661 3781.237       211.7612 3930.157       217.0295 275.6882 7.855340 281.0444 7.897111 -5.356201      11.13870 
1 1 1 -15 12 23 o 132.6116 3.372258 864.0349       43.73770 892.1165       62.31817 836.7739       61.40092 134.4972 4.741055 130.2355 4.824926 4.261642       6.764430 
1 1 1 -15 12 24 f 85.74391 3.157181 361.4464       26.45250 370.0747       36.95270 352.3778       37.88365 86.58510 4.374274 84.44545 4.600582 2.139648       6.348199 
1 1 1 -15 12 25 o 121.1696 3.238082 721.7758       38.37058 673.3276       52.51421 777.2666       56.20167 116.7615 4.603869 125.4677 4.583969 -8.706207      6.496798 
1 1 1 -15 12 26 o 144.9631 3.490196 1033.543       49.52373 1002.241       69.02210 1066.756       71.09830 142.3108 4.962599 146.8276 4.954133 -4.516830      7.012191 
1 1 1 -15 12 27 o 147.9716 4.217551 1081.181       61.02412 1110.000       112.6254 1069.203       72.60572 148.3693 7.782288 146.8642 5.058216 1.505051       9.281678 
1 1 1 -15 12 28 o 96.17876 3.184468 455.5680       29.93801 492.2644       42.78860 420.3752       41.90279 99.70448 4.395170 92.05248 4.665733 7.651993       6.409881 
1 1 1 -15 12 29 o 62.79427 3.421585 194.8223       20.95124 158.1714       27.42010 246.2369       32.47660 56.23294 5.034859 70.33145 4.745310 -14.09851      6.918654 
1 1 1 -15 12 30 o 105.9378 3.262542 553.4863       33.79056 634.3484       49.49870 482.9161       46.24154 113.0436 4.482327 98.50033 4.810651 14.54323       6.575227 
1 1 1 -15 12 31 o 47.22901 4.564725 111.7661       20.83960 120.2472       24.04902 86.20000       41.75471 48.86682 5.102909 39.70484 10.56090 9.161983       11.72912 
1 1 1 -15 12 32 o 23.78767 6.741158 29.43993       16.41018 23.51494       20.14537 41.12547       28.29149 22.24637 7.650183 28.23701 9.046901 -5.990639      11.84786 
1 1 1 -15 12 33 o 138.5159 3.556147 949.4877       48.17550 1005.810       69.78802 898.2156       66.58562 141.7876 5.036477 133.9501 5.087699 7.837494       7.158965 
1 1 1 -15 12 34 o 16.15747 6.755498 3.453078       17.87061 -4.871000      23.30858 15.32444       27.83544 16.62980 7.334540 21.85872 8.692241 -5.228920      11.37324 
1 1 1 -15 12 35 o 42.63456 6.867523 94.90872       27.68609 67.20000       60.45287 102.2630       31.14423 35.83132 13.15317 44.04411 7.492123 -8.212791      15.13730 
1 1 1 -15 12 36 o 32.04259 8.463717 55.83596       26.93659 -38.56000      59.25486 80.42414       30.24200 23.02779 10.73582 38.57970 8.257697 -15.55190      13.54428 
1 1 1 -15 12 37 o 40.66384 7.266587 87.70308       27.86154 115.9000       61.98761 80.56450       31.18960 43.85695 13.29200 38.43340 8.515052 5.423550       15.78554 
1 1 1 -15 12 38 o 38.79937 5.703773 78.02043       21.01571 60.41639       28.16795 100.1228       31.56225 33.05393 8.618677 43.14127 7.759534 -10.08734      11.59707 
1 1 1 -15 12 39 o 54.89281 4.781927 153.1090       25.43740 164.4000       36.02368 141.8802       35.92435 55.93667 6.713366 51.59048 7.319189 4.346195       9.931757 
1 1 1 -15 12 40 o 46.97936 6.769905 117.3863       30.23383 117.3863       30.23383 0.000000       0.000000 46.97936 6.769905 ?        ?        ?              ?        
1 1 1 -15 12 41 o 58.98388 4.974391 178.3438       28.45223 159.1598       33.90694 224.0000       52.30810 54.87783 6.434322 63.47155 8.643837 -8.593723      10.77573 
1 1 1 -15 12 42 o 29.52720 8.296312 49.42811       24.96492 63.57678       30.06225 17.99000       44.81174 33.12887 9.026770 24.86560 10.56251 8.263275       13.89421 
1 1 1 -15 12 43 o 20.55528 7.855423 18.52517       22.01937 9.754148       29.81320 29.05219       32.66153 20.52201 8.661625 24.68455 9.532718 -4.162539      12.88008 
1 1 1 -15 12 44 o 55.56668 5.445477 160.9735       29.23819 173.2976       36.52857 139.0000       48.77585 56.81494 6.696983 47.65881 10.71663 9.156132       12.63708 
1 1 1 -15 12 45 o 24.97151 9.969337 28.98016       36.75820 -51.56000      55.23585 93.00000       49.24613 20.00190 9.619385 37.52488 11.92654 -17.52298      15.32237 
1 1 1 -15 12 46 o 27.03711 8.173309 42.05814       23.45903 23.28497       32.74152 61.86216       33.62842 23.24249 9.364150 31.81619 9.818758 -8.573700      13.56817 
1 1 1 -15 12 47 o 57.27361 5.272950 171.8411       29.22910 275.0000       51.03035 121.4726       35.65785 70.30785 7.532391 45.99410 8.222210 24.31376       11.15086 
1 1 1 -15 12 48 o 28.80490 8.430183 49.26776       25.27761 63.16000       43.17982 42.02480       31.17834 31.13862 11.16066 26.71355 9.493668 4.425076       14.65230 
1 1 1 -15 12 49 o 24.03805 8.123598 32.87238       22.69944 61.15256       34.01819 10.17394       30.47671 31.07798 9.916494 20.21014 8.651469 10.86783       13.15997 
1 1 1 -15 12 50 o 27.58831 8.049697 44.76565       23.07793 40.80577       34.88419 47.84755       30.77493 26.48897 9.940655 28.02172 9.458896 -1.532755      13.72178 
1 1 1 -15 12 51 o 43.88599 5.884488 104.0235       24.64145 97.76595       36.76118 109.1291       33.20592 39.58986 9.589036 43.22733 8.146593 -3.637470      12.58239 
1 1 1 -15 12 52 o 21.54985 7.984368 24.20123       22.36405 28.28804       33.57932 20.94341       29.98079 23.78053 9.516850 21.91907 8.913527 1.861467       13.03923 
1 1 1 -15 12 53 o 41.13417 6.114315 92.47369       23.87062 102.9627       35.52649 83.84087       32.23005 41.01053 9.089155 36.95578 8.995804 4.054752       12.78817 
1 1 1 -15 12 54 o 21.23727 8.133140 22.69110       23.63660 39.20500       35.83184 9.969468       31.44965 25.86966 9.986182 20.17827 8.714801 5.691391       13.25412 
1 1 1 -15 12 55 o 17.41630 7.938147 -6.376247      29.88253 -14.09935      36.04451 10.60000       53.43973 18.06846 8.406747 23.59426 10.69960 -5.525801      13.60716 
1 1 1 -15 12 56 o 23.56302 8.387941 32.63000       24.34798 31.72575       36.63788 33.34521       32.58401 24.15964 9.842772 24.15258 9.466271 0.7059097E-02  13.65615 
1 1 1 -15 12 57 o 21.06265 8.485159 21.47830       26.88065 63.22000       52.70335 6.801807       31.25102 29.24939 11.84606 19.29890 8.502995 9.950485       14.58184 
1 1 1 -15 13 1  o 225.6187 6.570827 2507.091       144.9568 2710.000       217.8980 2346.000       194.1507 233.7732 9.542586 217.6009 9.135644 16.17229       13.21064 
1 1 1 -15 13 2  o 141.4534 3.425712 980.7377       47.43188 878.3501       66.42653 1087.248       67.75069 133.6500 5.086979 148.7698 4.658308 -15.11984      6.897623 
1 1 1 -15 13 3  o 205.1577 6.139420 2071.702       123.1494 2121.000       179.6475 2028.000       169.1458 206.9462 8.889377 202.4385 8.555434 4.507751       12.33760 
1 1 1 -15 13 4  o 70.22292 3.165973 242.1434       21.70570 205.6231       33.21521 269.3634       28.67567 64.48550 5.309204 74.00638 3.973134 -9.520882      6.631248 
1 1 1 -15 13 5  o 20.37017 6.551627 19.86523       14.82711 2.289351       24.13487 30.52001       18.79137 18.62088 7.822393 24.69769 7.279520 -6.076807      10.68556 
1 1 1 -15 13 6  o 159.3835 5.026968 1248.633       78.32716 1305.000       115.0914 1200.000       106.9039 162.5720 7.250783 155.9247 7.022446 6.647293       10.09399 
1 1 1 -15 13 7  o 40.54977 6.896926 83.19944       26.39552 83.19944       26.39552 0.000000       0.000000 40.54977 6.896926 ?        ?        ?              ?        
1 1 1 -15 13 8  o 63.64093 4.990129 200.0983       30.83683 123.6000       56.96944 231.8000       36.67393 48.82882 12.00516 68.46001 5.519612 -19.63119      13.21325 
1 1 1 -15 13 9  o 217.5387 5.150212 2324.537       109.6649 2415.000       194.1094 2282.125       132.9087 220.7280 9.003168 215.2566 6.314813 5.471420       10.99699 
1 1 1 -15 13 10 o 124.3118 3.319965 758.0195       40.36110 697.1533       56.99225 819.2586       57.16658 119.0506 4.901261 129.1169 4.530294 -10.06633      6.674273 
1 1 1 -15 13 11 o 131.4224 3.747103 847.7059       48.15347 833.5000       80.78144 855.5360       59.97343 129.9678 6.369339 131.9279 4.651534 -1.960114      7.887031 
1 1 1 -15 13 12 o 31.78396 5.751255 51.20023       17.23423 41.73000       24.62074 60.29847       24.13235 28.74199 8.293425 34.31197 7.402954 -5.569983      11.11686 
1 1 1 -15 13 13 o 84.76550 3.410263 352.8547       28.23747 288.3000       42.98509 401.8596       37.45189 76.33597 5.796165 90.38966 4.244863 -14.05369      7.184315 
1 1 1 -15 13 14 o 98.19831 3.450165 473.4288       33.11119 534.6000       56.06702 440.6688       41.03046 104.1131 5.521430 94.63490 4.441834 9.478195       7.086330 
1 1 1 -15 13 15 o 154.5159 4.078547 1172.605       61.63183 1313.000       110.5491 1109.289       74.23978 162.9796 6.945645 150.1400 5.058885 12.83961       8.592689 
1 1 1 -15 13 16 o 113.9140 3.214612 636.7409       35.80779 630.3480       51.80273 642.5903       49.55196 113.1744 4.686397 114.3024 4.437364 -1.128036      6.453876 
1 1 1 -15 13 17 o 75.02107 3.166899 276.4566       23.20308 288.5888       33.43627 265.1872       32.22545 76.51555 4.484041 73.33338 4.511264 3.182167       6.360671 
1 1 1 -15 13 18 o 16.04269 6.192050 8.231370       13.77533 15.36186       17.79105 -2.442817      21.76753 19.56690 7.143043 16.77574 7.247792 2.791161       10.17613 
1 1 1 -15 13 19 o 37.04079 4.646717 68.50414       16.47763 92.34049       21.61595 35.43998       25.45851 42.99677 5.244474 26.93567 8.576859 16.06109       10.05321 
1 1 1 -15 13 20 o 127.1310 3.325547 793.5945       41.34737 784.5865       58.23404 802.7526       58.71697 126.1976 4.722658 127.6549 4.707217 -1.457314      6.667937 
1 1 1 -15 13 21 o 47.55844 4.141776 112.0141       19.08847 79.90000       25.36152 153.9792       28.99154 39.63493 6.780761 55.62880 5.391868 -15.99387      8.663196 
1 1 1 -15 13 22 o 238.4662 4.864084 2802.041       113.5361 2822.094       161.6086 2782.499       159.5400 238.3920 6.933111 236.7324 6.892365 1.659592       9.776131 
1 1 1 -15 13 23 o 52.33708 3.581801 135.2285       18.23859 129.4044       23.47368 144.1005       28.97199 51.02077 4.755076 53.71350 5.592258 -2.692726      7.340579 
1 1 1 -15 13 24 o 111.4492 3.184902 610.5856       34.70832 594.8581       48.25415 627.4448       49.96024 109.7619 4.500897 112.7251 4.537180 -2.963203      6.390937 
1 1 1 -15 13 25 o 46.23952 3.737504 105.9003       16.77209 82.18188       21.10169 146.5890       27.63828 40.38134 5.479916 54.17938 5.278444 -13.79805      7.608643 
1 1 1 -15 13 26 o 141.0713 4.130973 982.3161       56.98087 895.0000       101.3076 1022.721       68.91497 133.2001 7.804375 143.6970 4.906788 -10.49681      9.218721 
1 1 1 -15 13 27 o 124.7301 3.325099 766.1812       40.55968 731.9216       56.51183 802.5777       58.24765 121.5098 4.760617 127.2736 4.683551 -5.763855      6.678257 
1 1 1 -15 13 28 o 75.90361 3.184955 284.0495       23.61053 247.8823       31.26797 332.0274       36.01327 70.62174 4.547467 81.78310 4.516294 -11.16136      6.409085 
1 1 1 -15 13 29 o 73.76389 3.306724 268.6298       23.81455 267.0178       32.26884 270.5579       35.29150 73.26616 4.521627 73.64254 4.924226 -0.3763809     6.685291 
1 1 1 -15 13 30 o 98.55716 3.738735 480.6972       36.00235 495.8133       44.20084 450.9000       62.05812 99.83935 4.534798 94.26942 6.770545 5.569923       8.148907 
1 1 1 -15 13 31 o 49.79098 3.954060 123.4955       19.11267 131.8539       24.68897 110.9949       30.19298 51.20127 4.989465 46.36844 6.859050 4.832832       8.481824 
1 1 1 -15 13 32 o 25.72806 6.522198 34.76872       16.44458 49.42254       20.15453 5.583864       28.44304 30.62891 6.889906 20.21536 8.492041 10.41355       10.93552 
1 1 1 -15 13 33 o 123.7859 4.627587 764.9579       55.97148 822.0000       77.04302 701.2000       81.45212 127.3414 6.199614 116.9236 7.151154 10.41777       9.464365 
1 1 1 -15 13 34 o 28.23141 6.593106 42.10479       17.88757 31.67236       22.30296 60.91509       29.94798 24.87738 8.038350 33.45442 8.964637 -8.577044      12.04076 
1 1 1 -15 13 35 o 33.68864 5.877029 58.93319       18.67528 28.97660       23.79235 107.0113       30.14149 24.23441 8.314564 45.20694 7.040889 -20.97253      10.89523 
1 1 1 -15 13 36 o 24.23140 8.671847 27.93415       26.05853 47.70000       60.55220 23.44148       28.86851 32.52205 12.85609 23.67092 9.006985 8.851133       15.69729 
1 1 1 -15 13 37 o 18.72682 7.999177 2.868783       25.95244 23.19000       60.56903 -1.701023      28.72266 29.07916 12.31305 18.83204 8.228604 10.24712       14.80950 
1 1 1 -15 13 38 o 13.00144 6.357318 -47.08661      26.88657 -65.71000      64.31634 -43.14291      29.59673 21.83222 10.46833 14.28457 6.912075 7.547653       12.54443 
1 1 1 -15 13 39 o 27.49990 9.191114 41.00468       29.06222 -4.626000      63.46084 53.11411       32.69182 26.03463 11.74702 30.66616 9.713835 -4.631529      15.24307 
1 1 1 -15 13 40 o 26.05274 7.839862 37.34143       21.61939 47.30000       28.73238 24.34521       32.82326 28.94642 9.098448 24.01875 9.474463 4.927670       13.13572 
1 1 1 -15 13 41 o 32.21204 7.906370 58.18280       24.74059 36.95046       28.36520 125.7000       50.58179 26.15019 9.073782 45.06898 11.44615 -18.91879      14.60643 
1 1 1 -15 13 42 o 27.79135 8.348162 43.70364       24.52973 62.73438       29.73805 3.190000       43.38956 32.85338 8.988724 22.60444 9.986731 10.24894       13.43622 
1 1 1 -15 13 43 o 20.45050 8.108585 16.30624       24.15558 8.159432       29.36104 33.37000       42.49276 20.10020 8.544470 26.64281 10.69086 -6.542610      13.68585 
1 1 1 -15 13 44 f 30.67378 12.54478 51.69000       59.79401 51.69000       59.79401 0.000000       0.000000 30.67378 12.54478 ?        ?        ?              ?        
1 1 1 -15 13 45 o 15.98804 7.068058 -2.253390      21.76707 -28.75581      29.96409 27.35923       31.67355 15.37737 7.309844 23.94383 9.348091 -8.566467      11.86679 
1 1 1 -15 13 46 o 21.56270 8.254627 21.83827       24.34184 39.73000       38.86721 10.29171       31.22364 26.97326 10.40364 20.66364 8.798613 6.309622       13.62539 
1 1 1 -15 13 47 o 40.62926 6.754019 91.07079       25.91745 135.8000       42.74114 65.05964       32.59344 47.36022 9.549932 32.45047 9.593005 14.90974       13.53613 
1 1 1 -15 13 48 o 20.10329 7.885597 17.76290       22.62631 -24.18308      32.63344 56.59578       31.39912 16.44430 7.760967 30.24644 9.511892 -13.80214      12.27635 
1 1 1 -15 13 49 o 34.01669 7.217284 65.83840       23.28590 102.7817       35.41729 37.70976       30.90453 41.23685 9.025632 25.60561 9.403610 15.63124       13.03418 
1 1 1 -15 13 50 o 21.80561 8.041430 24.95962       22.63836 63.46826       33.74807 -6.544709      30.52495 31.56265 9.851937 17.75177 8.064496 13.81088       12.73172 
1 1 1 -15 13 51 o 46.07721 5.503793 113.4378       24.33270 117.1318       36.10533 110.3638       32.93591 44.30967 8.635121 43.51144 8.028933 0.7982292      11.79106 
1 1 1 -15 13 52 o 39.30119 6.363199 85.20296       23.64241 131.4938       35.32985 47.66148       31.81632 47.71672 7.835997 27.75208 9.610977 19.96463       12.40055 
1 1 1 -15 13 53 o 19.44825 7.799042 15.76080       22.59889 -19.37458      33.48684 45.14542       30.62400 16.98366 7.967395 27.05749 9.425815 -10.07383      12.34202 
1 1 1 -15 13 54 o 32.33984 7.931302 62.15781       24.91205 90.23370       36.78293 38.36642       33.86019 37.37144 9.899328 25.58044 9.749611 11.79100       13.89430 
1 1 1 -15 13 55 o 42.27297 6.433179 99.65687       25.78075 147.4573       38.69826 61.51287       34.56913 49.77446 8.230276 30.43512 10.01925 19.33934       12.96622 
1 1 1 -15 13 56 o 26.02739 8.940011 42.56208       27.50867 137.7000       53.11332 7.686571       32.15784 42.64008 12.14247 19.63893 8.640159 23.00115       14.90275 
1 1 1 -15 14 1  o 157.9547 5.212385 1226.871       80.47856 1257.000       119.6772 1202.000       108.7357 159.4450 7.690893 156.0203 7.138999 3.424698       10.49358 
1 1 1 -15 14 2  o 228.2412 6.649957 2566.945       148.4075 2733.000       221.1963 2431.000       200.1396 234.6445 9.651378 221.4051 9.255464 13.23944       13.37209 
1 1 1 -15 14 3  o 220.0130 6.479324 2384.590       139.3834 2324.000       197.2647 2445.000       196.9713 216.4396 9.333153 222.0918 9.079900 -5.652161      13.02123 
1 1 1 -15 14 4  o 112.6479 3.699861 622.8753       40.74039 587.8174       51.68480 680.4000       66.20591 109.3115 4.842504 117.5004 5.774086 -8.188904      7.535908 
1 1 1 -15 14 5  o 102.6780 4.736787 518.6650       47.47835 518.6650       47.47835 0.000000       0.000000 102.6780 4.736787 ?        ?        ?              ?        
1 1 1 -15 14 6  o 134.9198 7.388470 900.3000       97.20206 900.3000       97.20206 0.000000       0.000000 134.9198 7.388470 ?        ?        ?              ?        
1 1 1 -15 14 7  o 124.7957 3.716169 764.3691       45.34374 698.5000       76.22245 800.4473       56.41107 118.9262 6.573426 127.6242 4.522851 -8.697945      7.979105 
1 1 1 -15 14 8  o 70.74684 3.313087 245.8785       22.87906 195.1906       33.95680 288.0197       30.96194 62.76762 5.585209 76.50753 4.149986 -13.73991      6.958228 
1 1 1 -15 14 9  o 93.35735 3.158983 427.6681       28.82545 402.8560       42.65577 448.5222       39.10585 90.44325 4.835899 95.51617 4.192935 -5.072914      6.400517 
1 1 1 -15 14 10 o 51.18147 4.088410 129.3406       20.31189 169.8000       34.20964 107.3110       25.24309 58.43079 6.069704 46.37196 5.679804 12.05883       8.312730 
1 1 1 -15 14 11 o 108.1156 3.520737 573.7872       37.20905 565.4000       62.96725 578.2874       46.12358 107.0115 6.035904 108.4539 4.353666 -1.442413      7.442214 
1 1 1 -15 14 12 o 130.7627 3.765090 839.4560       48.14077 900.1000       84.30646 810.1151       58.64135 135.0192 6.397292 128.3460 4.675648 6.673141       7.923826 
1 1 1 -15 14 13 o 22.33856 6.548574 25.01936       15.24207 23.62809       21.08739 26.54142       22.05633 22.84504 7.827986 23.88908 8.007371 -1.044037      11.19801 
1 1 1 -15 14 14 o 56.03708 3.601543 154.6633       19.65010 140.8151       27.86957 168.3533       27.71000 53.23175 5.424478 58.32566 4.898905 -5.093910      7.309188 
1 1 1 -15 14 15 o 143.0146 3.475661 1003.206       48.65460 941.1548       68.38149 1066.831       69.24258 138.2600 5.061385 147.2547 4.810399 -8.994690      6.982661 
1 1 1 -15 14 16 o 78.60376 3.186035 303.4810       24.46241 266.6559       35.13847 338.1132       34.07613 73.47885 4.913801 82.86785 4.214894 -9.389000      6.473853 
1 1 1 -15 14 17 o 76.61516 3.220221 288.4039       24.09557 299.7143       35.02231 278.2381       33.20299 77.94923 4.610744 75.10411 4.537723 2.845123       6.469150 
1 1 1 -15 14 18 o 178.5317 4.586218 1568.252       80.07861 1391.000       134.9119 1664.671       99.50272 167.1249 8.272843 183.7199 5.539478 -16.59502      9.956191 
1 1 1 -15 14 19 o 51.53483 3.650767 131.0440       18.29662 126.1583       24.93499 136.7431       26.93074 50.35688 5.130336 52.41641 5.322711 -2.059532      7.392672 
1 1 1 -15 14 20 o 121.0128 3.295409 719.2746       38.99799 728.6185       56.08216 710.5262       54.26567 121.5690 4.721959 120.0656 4.626086 1.503426       6.610414 
1 1 1 -15 14 21 o 88.02042 3.151433 380.7617       27.10793 436.8254       39.04965 328.6149       37.66086 94.13229 4.249065 81.53965 4.739044 12.59264       6.364990 
1 1 1 -15 14 22 f 16.83685 6.297215 10.60813       13.97444 19.25757       17.32785 -5.483279      23.63458 20.60035 7.094646 16.92027 7.426836 3.680086       10.27092 
1 1 1 -15 14 23 o 44.80424 3.923987 99.53104       17.03536 70.17835       21.52558 148.7277       27.86753 37.14758 6.133843 54.60729 5.279411 -17.45972      8.092973 
1 1 1 -15 14 24 o 70.49021 3.259989 244.7353       22.43229 231.6391       30.39139 260.4100       33.24894 68.36247 4.567997 72.47298 4.712562 -4.110504      6.563142 
1 1 1 -15 14 25 o 111.2061 3.896029 610.1210       42.34339 614.7000       81.44054 608.4246       49.57030 110.4096 7.581791 110.8833 4.577032 -0.4736786     8.856228 
1 1 1 -15 14 26 o 47.21255 3.814418 110.5837       17.47759 107.6234       23.09394 114.5521       26.73878 46.30693 5.183880 47.63411 5.858014 -1.327179      7.822336 
1 1 1 -15 14 27 o 72.33778 4.236754 259.4982       29.86753 184.3000       61.59808 282.6119       34.15063 58.58144 11.14958 75.40241 4.649699 -16.82097      12.08027 
1 1 1 -15 14 28 o 154.0840 4.410664 1176.721       66.45393 1028.000       114.4800 1252.302       81.61158 141.7702 8.285822 158.5388 5.266391 -16.76860      9.817827 
1 1 1 -15 14 29 o 94.47659 3.754577 441.7414       34.65180 480.6421       43.13976 371.0000       58.17491 98.32230 4.494378 85.37424 7.023554 12.94805       8.338449 
1 1 1 -15 14 30 o 128.6660 3.986325 820.5281       50.14394 767.8377       60.01251 942.4000       91.27000 124.0384 4.952832 136.2480 6.865840 -12.20960      8.465832 
1 1 1 -15 14 31 o 29.07674 6.694021 44.46519       18.65742 49.64272       21.23948 26.97000       39.04293 30.63923 7.204050 26.63746 10.38479 4.001766       12.63892 
1 1 1 -15 14 32 o 51.14516 4.259311 130.8799       21.12972 133.5000       28.60050 127.7312       31.35264 51.18842 5.810854 49.77808 6.596974 1.410339       8.791251 
1 1 1 -15 14 33 o 18.65863 6.781769 15.04443       16.01204 9.518521       19.36136 27.00259       28.48172 18.11713 7.234496 24.54711 9.025361 -6.429972      11.56698 
1 1 1 -15 14 34 o 66.39841 3.707891 219.2922       24.00283 235.8830       32.51646 199.4276       35.58031 68.47645 4.883324 62.54862 5.880450 5.927830       7.643726 
1 1 1 -15 14 35 o 72.85946 3.619748 264.0109       25.73407 312.6090       36.27312 214.7624       36.51503 78.86979 4.720191 64.86710 5.812515 14.00269       7.487692 
1 1 1 -15 14 36 o 42.90075 4.698227 93.31831       19.40672 90.10600       25.07190 98.11958       30.65185 41.56148 6.365353 42.89230 7.577865 -1.330818      9.896553 
1 1 1 -15 14 37 o 26.65161 7.017134 38.24337       18.55400 47.76425       23.50100 22.48933       30.23041 29.55504 7.950823 23.54588 9.149675 6.009159       12.12156 
1 1 1 -15 14 38 o 43.31200 7.339313 100.8523       30.00512 9.376000       65.87498 124.7987       33.70442 27.84245 12.30289 48.25997 7.368190 -20.41752      14.34055 
1 1 1 -15 14 39 o 36.79176 8.477453 76.09866       29.90189 15.30000       65.77822 91.93523       33.57112 28.06418 12.35164 40.37481 8.747975 -12.31063      15.13572 
1 1 1 -15 14 40 o 38.84921 7.925228 83.83995       29.11498 168.7000       64.33991 61.98832       32.64907 51.17698 12.86102 32.61383 9.590673 18.56315       16.04328 
1 1 1 -15 14 41 o 26.47298 9.642582 37.28601       32.39450 0.000000       0.000000 37.28601       32.39450 ?        ?        26.47298 9.642582 ?              ?        
1 1 1 -15 14 42 o 37.12934 8.423353 78.75629       29.90780 78.75629       29.90780 0.000000       0.000000 37.12934 8.423353 ?        ?        ?              ?        
1 1 1 -15 14 43 o 25.81291 10.17482 32.13479       37.83078 28.19000       59.71151 34.78000       48.89631 27.86577 12.02145 27.50262 11.30668 0.3631477      16.50322 
1 1 1 -15 14 44 o 22.03620 8.237181 23.74292       23.90395 10.60842       28.21560 57.14000       44.99216 20.11714 8.454844 30.66262 11.33139 -10.54549      14.13807 
1 1 1 -15 14 45 o 45.89178 6.858675 115.3332       29.86550 145.9000       40.35532 78.32000       44.40721 50.38844 8.483107 34.66016 11.35291 15.72828       14.17221 
1 1 1 -15 14 46 o 35.86196 8.343958 75.18104       28.73664 101.5000       38.88494 43.51000       42.65581 40.56009 9.885793 27.75139 10.84437 12.80870       14.67410 
1 1 1 -15 14 47 o 16.76747 7.223337 3.436675       21.49940 -16.05415      30.86646 21.80337       29.96314 16.79341 7.801936 22.24219 8.959126 -5.448780      11.88007 
1 1 1 -15 14 48 o 55.82117 4.710693 162.0776       25.49889 194.7207       37.66638 134.4621       34.64460 59.64132 6.560293 48.69891 7.508989 10.94241       9.971076 
1 1 1 -15 14 49 o 36.11031 6.835313 72.98075       23.27545 78.45998       33.95138 68.12215       31.97075 35.42682 9.567765 33.07788 9.421059 2.348942       13.42753 
1 1 1 -15 14 50 o 33.44886 7.275911 64.09982       23.14237 46.00743       33.23608 81.12719       32.24302 27.42207 9.795877 36.33025 9.090068 -8.908184      13.36370 
1 1 1 -15 14 51 o 33.29482 7.328710 63.78767       23.23574 66.37473       33.27183 61.32476       32.46367 32.25039 9.730419 31.07247 9.656973 1.177923       13.70905 
1 1 1 -15 14 52 o 21.34755 7.901706 23.80863       21.89378 36.47261       31.84480 12.45702       30.14965 25.19312 9.488456 20.38044 8.660834 4.812672       12.84682 
1 1 1 -15 14 53 o 18.13477 7.598473 9.619221       22.68211 66.21690       33.04186 -40.82069      31.19265 32.04221 9.703001 14.40872 7.001107 17.63349       11.96510 
1 1 1 -15 14 54 o 28.52308 8.298415 49.58983       24.55761 56.76796       35.40839 42.93684       34.08860 29.36567 10.14050 26.38592 9.841956 2.979748       14.13131 
1 1 1 -15 14 55 o 30.48007 8.722627 58.37971       27.34222 84.27000       49.49726 47.01005       32.80096 33.27514 11.94648 27.05744 9.723725 6.217699       15.40354 
1 1 1 -15 14 56 o 26.21145 8.269433 42.64189       23.71399 47.30476       35.04750 38.70453       32.20573 26.79082 9.982088 25.00023 9.513224 1.790583       13.78925 
1 1 1 -15 15 1  o 117.2562 4.733357 676.1455       54.21481 711.6000       84.96868 651.8000       70.40978 119.9120 7.273394 114.9099 6.283843 5.002083       9.611917 
1 1 1 -15 15 2  f 170.6082 5.464164 1432.108       91.13168 1632.000       142.5669 1294.000       118.5031 181.5936 8.040630 161.7797 7.503852 19.81390       10.99816 
1 1 1 -15 15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 15 5  o 111.6523 4.623081 613.0848       50.41558 509.2000       77.01064 691.0000       66.69382 101.2483 7.831476 118.3926 5.772526 -17.14431      9.729033 
1 1 1 -15 15 6  o 30.85887 5.599135 48.25930       16.28981 -8.953506      27.13849 80.48301       20.36699 17.79537 7.878366 40.12209 5.316796 -22.32672      9.504576 
1 1 1 -15 15 7  o 177.0683 4.446093 1540.055       76.99844 1522.000       133.5338 1549.049       94.24400 175.3673 7.798731 177.4265 5.433016 -2.059204      9.504623 
1 1 1 -15 15 8  f 8.663476 4.299304 -33.73656      13.92584 -43.56556      23.90305 -28.68622      17.13399 12.43910 6.063082 10.80781 5.236748 1.631292       8.011522 
1 1 1 -15 15 9  o 75.56155 3.488099 280.5718       25.72898 234.8000       43.47182 305.2498       31.92003 68.72485 6.541095 78.75721 4.155336 -10.03236      7.749371 
1 1 1 -15 15 10 o 15.63800 6.384795 4.341973       15.45704 20.19000       25.62945 -4.717531      19.37778 22.98696 8.541678 15.36089 6.734120 7.626068       10.87698 
1 1 1 -15 15 11 o 124.3313 3.303496 758.4996       40.16758 688.2844       57.16149 826.9927       56.45615 118.2385 4.949940 129.6944 4.453781 -11.45583      6.658684 
1 1 1 -15 15 12 o 80.59698 3.152225 318.9570       24.82012 289.0650       36.74142 344.0486       33.66227 76.53267 4.930830 83.61807 4.125532 -7.085403      6.429082 
1 1 1 -15 15 13 o 66.35742 3.314121 216.4690       21.45791 206.0811       32.34771 224.6321       28.67524 64.53104 5.164232 67.49204 4.363978 -2.961006      6.761183 
1 1 1 -15 15 14 o 71.08080 3.254558 248.2966       22.58378 206.3339       32.96364 285.4160       31.00304 64.54729 5.263002 76.12481 4.176756 -11.57751      6.718965 
1 1 1 -15 15 15 o 31.06017 5.444461 48.87132       15.94945 63.08146       23.60035 36.92503       21.63893 35.10276 7.112612 26.99781 7.770380 8.104946       10.53414 
1 1 1 -15 15 16 o 112.4072 3.192369 620.2540       35.08920 611.6102       50.78327 628.1510       48.53994 111.4304 4.666306 112.9698 4.398062 -1.539406      6.412282 
1 1 1 -15 15 17 o 59.91838 3.435959 176.7637       20.06733 167.4398       28.73010 185.6459       28.04140 58.09687 5.103997 61.25379 4.713141 -3.156914      6.947265 
1 1 1 -15 15 18 o 55.87391 3.534301 153.8734       19.23037 135.5541       27.07817 172.5146       27.31507 52.16945 5.379754 59.01447 4.769251 -6.845024      7.189402 
1 1 1 -15 15 19 o 148.3951 3.551994 1081.450       51.59385 1080.115       74.11649 1082.706       71.86501 147.9424 5.125930 148.1584 4.962476 -0.2160034     7.134517 
1 1 1 -15 15 20 o 186.6843 4.746556 1718.317       86.66431 1529.000       145.4297 1822.568       107.9197 174.6532 8.532704 191.9391 5.750706 -17.28590      10.28969 
1 1 1 -15 15 21 o 24.96734 6.802631 31.97811       17.07351 13.60000       23.45867 52.67832       24.89662 20.69601 8.055013 31.86210 7.996463 -11.16609      11.35018 
1 1 1 -15 15 22 o 153.3279 3.620168 1156.110       54.33207 1188.797       78.61236 1126.218       75.17702 155.0064 5.188568 150.8956 5.097136 4.110825       7.273379 
1 1 1 -15 15 23 o 122.9056 3.300418 743.1031       39.66922 707.5054       55.26618 780.9354       56.97429 119.5995 4.730217 125.6866 4.639055 -6.087074      6.625389 
1 1 1 -15 15 24 o 62.05333 3.382623 189.9889       20.46819 167.7080       27.67604 216.8883       30.40945 58.01812 4.919766 66.06994 4.733536 -8.051819      6.827186 
1 1 1 -15 15 25 o 96.50021 3.906978 459.9861       36.82787 500.6000       75.55227 447.3284       42.17810 99.33633 7.833572 95.00556 4.548783 4.330772       9.058492 
1 1 1 -15 15 26 o 104.8753 3.883323 543.5253       39.79534 586.6000       80.12355 529.4197       45.85051 107.4948 7.665236 103.3199 4.544834 4.174980       8.911305 
1 1 1 -15 15 27 o 31.17920 6.085819 50.22578       17.90648 27.43034       20.65831 119.1000       35.90866 23.61932 7.743721 47.85456 7.944474 -24.23524      11.09414 
1 1 1 -15 15 28 o 161.7070 4.405579 1297.600       69.66796 1344.061       87.47250 1217.000       115.2113 163.9797 5.457336 154.4834 7.642891 9.496292       9.391289 
1 1 1 -15 15 29 o 69.51063 3.441623 239.1122       23.34362 250.3045       32.28288 226.8471       33.79472 70.79462 4.685065 67.23117 5.175171 3.563454       6.980847 
1 1 1 -15 15 30 o 48.38551 4.064291 116.8654       19.07117 135.5489       25.59789 93.55711       28.59110 51.85675 5.109339 42.35850 7.150061 9.498253       8.787988 
1 1 1 -15 15 31 o 63.17158 3.834541 198.4657       23.59887 229.0000       34.35267 171.1795       32.47417 67.42381 5.246511 58.04956 5.792471 9.374256       7.815279 
1 1 1 -15 15 32 f 41.76254 4.616199 88.01369       18.55566 72.17191       23.51706 114.1444       30.20347 37.13563 6.716918 46.89808 6.775741 -9.762451      9.540841 
1 1 1 -15 15 33 o 21.66967 6.960565 23.71294       16.73960 19.60151       20.63175 31.63345       28.63629 21.09216 7.693378 25.64044 9.099816 -4.548281      11.91615 
1 1 1 -15 15 34 o 28.53817 6.290736 42.98507       17.09851 36.64938       21.10354 55.09155       29.17207 26.25970 7.707567 31.74465 8.985211 -5.484949      11.83810 
1 1 1 -15 15 35 o 24.73825 6.957036 32.48823       17.54702 53.03675       22.31562 -0.7953612     28.40101 31.40596 7.384279 18.91609 8.225080 12.48987       11.05348 
1 1 1 -15 15 36 o 11.25255 5.354599 -19.37424      16.16211 -5.358774      19.76132 -47.68937      28.08804 15.02861 6.684263 13.41105 6.544651 1.617567       9.354776 
1 1 1 -15 15 37 o 52.79140 4.353118 140.7927       22.29444 172.9303       29.94581 100.8292       33.39339 58.11366 5.323511 42.87950 8.255717 15.23416       9.823271 
1 1 1 -15 15 38 o 30.78392 6.628114 51.08953       19.38066 60.05908       24.58293 36.35887       31.50353 32.97528 7.748358 26.49900 9.528674 6.476276       12.28139 
1 1 1 -15 15 39 o 25.37809 7.335682 35.31712       19.24682 37.43686       24.35650 31.79270       31.40635 26.10394 8.397204 25.29805 9.444704 0.8058872      12.63786 
1 1 1 -15 15 40 o 28.29724 9.074462 45.40440       28.45939 87.85000       60.99419 33.59201       32.17667 36.70307 13.25072 25.68050 9.565280 11.02257       16.34247 
1 1 1 -15 15 41 o 13.65182 6.747950 -65.09634      33.06778 -107.1000      57.52828 -44.37000      40.41096 17.67788 8.766788 17.21320 8.265165 0.4646759      12.04863 
1 1 1 -15 15 42 o 17.76866 8.565873 -50.17000      44.42187 0.000000       0.000000 -50.17000      44.42187 ?        ?        17.76866 8.565873 ?              ?        
1 1 1 -15 15 43 o 27.30190 10.20245 41.06725       36.66536 18.95000       59.88500 54.33000       46.37344 26.72390 11.77266 30.29988 11.44171 -3.575975      16.41671 
1 1 1 -15 15 44 o 30.21306 7.738091 52.14995       22.98248 21.77000       32.73053 81.69648       32.27845 22.99285 9.326894 37.16386 8.975335 -14.17101      12.94402 
1 1 1 -15 15 45 o 40.95741 6.565717 91.52209       25.43312 160.7000       39.31672 41.74537       33.35083 53.52646 7.727641 26.99047 9.790787 26.53600       12.47301 
1 1 1 -15 15 46 o 28.03415 8.413305 46.38969       24.92261 45.02856       30.72115 49.01000       42.62490 27.47635 9.447252 28.55477 10.92527 -1.078417      14.44341 
1 1 1 -15 15 47 o 20.35243 8.105972 17.59365       24.24424 27.29339       31.23690 2.898000       38.44877 23.46151 9.246370 20.85864 9.297566 2.602863       13.11259 
1 1 1 -15 15 48 o 14.75009 6.874135 -15.42048      24.25783 -9.862696      31.48378 -23.54000      38.05411 17.62142 8.075610 17.87811 8.420202 -0.2566853     11.66685 
1 1 1 -15 15 49 o 27.89363 8.576288 46.89376       25.68504 54.72477       32.59738 34.07000       41.71397 29.47388 9.730523 25.59687 10.47429 3.877018       14.29664 
1 1 1 -15 15 50 o 35.59446 7.687994 73.70225       26.00128 65.88065       32.89320 86.73000       42.45153 32.16586 9.668243 35.67863 11.03554 -3.512772      14.67168 
1 1 1 -15 15 51 o 40.40054 6.102733 89.27444       23.38171 94.85938       33.85827 84.18285       32.32822 39.37912 8.983332 36.99492 9.012056 2.384193       12.72468 
1 1 1 -15 15 52 o 31.57841 7.572363 58.44017       23.10331 51.60397       32.40187 65.51007       32.95107 28.51208 9.704966 31.89225 9.696326 -3.380169      13.71879 
1 1 1 -15 15 53 o 23.35210 8.931075 29.68030       28.47675 26.33657       33.86647 37.75000       52.61176 23.25971 9.468025 26.65526 11.38766 -3.395555      14.80953 
1 1 1 -15 15 54 o 36.59658 7.967894 79.97776       27.73119 69.87000       48.82979 84.78981       33.69169 30.97665 11.73101 36.39452 9.394001 -5.417873      15.02877 
1 1 1 -15 15 55 o 29.84825 8.019005 54.55322       23.92521 57.25591       35.15468 52.22133       32.65422 29.05856 10.10047 28.09682 9.736382 0.9617329      14.02914 
1 1 1 -15 15 56 o 17.30684 7.442007 6.890352       22.74071 8.618026       33.75687 5.454830       30.77061 19.90720 8.801262 18.89374 8.375576 1.013460       12.14959 
1 1 1 -15 16 1  o 71.17261 4.357232 249.5761       30.20949 169.9000       47.04077 305.5000       39.41026 57.99035 8.542957 78.67793 5.145647 -20.68758      9.972953 
1 1 1 -15 16 2  o 129.0992 4.994177 820.1016       62.99033 820.1016       62.99033 0.000000       0.000000 129.0992 4.994177 ?        ?        ?              ?        
1 1 1 -15 16 3  o 41.54072 6.495588 87.01569       25.54737 88.10000       54.47746 86.71000       28.92516 41.63340 12.42578 41.29773 7.428663 0.3356743      14.47705 
1 1 1 -15 16 4  o 59.93188 4.032123 177.0375       23.51598 158.3502       33.78491 194.6000       32.75235 56.37065 6.226639 62.68323 5.390377 -6.312576      8.235726 
1 1 1 -15 16 5  o 131.8775 4.552719 855.0426       58.68081 0.000000       0.000000 855.0426       58.68081 ?        ?        131.8775 4.552719 ?              ?        
1 1 1 -15 16 6  o 254.3316 5.861504 3183.698       145.9203 3350.000       262.8177 3109.587       175.4468 259.1370 10.38243 250.9099 7.150963 8.227112       12.60679 
1 1 1 -15 16 7  o 133.3704 3.781271 873.3529       49.31338 877.9000       86.51277 871.1644       60.01853 133.2719 6.652895 133.0988 4.613838 0.1731567      8.096203 
1 1 1 -15 16 8  o 118.2217 3.618281 686.2079       41.82097 721.4000       73.98902 669.6858       50.69628 120.8384 6.276934 116.6931 4.446517 4.145248       7.692296 
1 1 1 -15 16 9  o 187.8383 4.623441 1733.306       85.00719 1770.000       149.3747 1715.729       103.3802 188.9189 8.096623 186.6238 5.665880 2.295120       9.882182 
1 1 1 -15 16 10 o 61.28631 3.371281 184.7520       20.14598 183.1469       32.59759 185.7440       25.62574 60.75844 5.542109 61.35567 4.294038 -0.5972328     7.010973 
1 1 1 -15 16 11 o 142.3907 3.861123 995.7602       53.76508 1016.000       94.65436 986.1195       65.32672 143.3188 6.766424 141.5771 4.720623 1.741669       8.250381 
1 1 1 -15 16 12 o 47.73175 3.714190 112.4761       17.21663 120.0387       27.93776 107.8456       21.86097 49.00410 5.945928 46.58446 4.865941 2.419640       7.683192 
1 1 1 -15 16 13 o 48.81006 3.730482 117.6097       17.68794 124.0801       27.95617 113.2906       22.84099 49.84330 5.840793 47.73874 4.960303 2.104561       7.662863 
1 1 1 -15 16 14 o 64.43423 3.374363 204.2468       21.20794 181.1085       31.88972 222.5958       28.39813 60.39753 5.452847 67.16527 4.342832 -6.767738      6.970920 
1 1 1 -15 16 15 o 82.02384 3.119619 330.4797       25.00089 324.6123       36.98722 335.4156       33.92423 81.10567 4.678876 82.51170 4.214335 -1.406036      6.297023 
1 1 1 -15 16 16 o 87.85049 3.135748 379.1011       26.92120 362.4571       39.31147 393.8003       36.94344 85.69949 4.704396 89.40716 4.233447 -3.707664      6.328777 
1 1 1 -15 16 17 f 56.48115 3.540912 157.2520       19.47755 166.5918       28.98177 149.5587       26.30342 57.91513 5.166615 54.88528 4.949212 3.029842       7.154622 
1 1 1 -15 16 18 o 64.39643 3.362294 204.1641       21.12013 200.2717       30.92893 207.5648       28.90994 63.54690 5.012952 64.76819 4.589886 -1.221287      6.796818 
1 1 1 -15 16 19 o 116.7281 3.800583 670.5753       43.36632 644.9000       82.12452 680.5029       51.06668 113.5805 7.427665 117.4695 4.449303 -3.889030      8.658319 
1 1 1 -15 16 20 o 23.21631 6.603374 27.44941       15.71730 23.04078       21.93474 32.10163       22.53255 22.73651 7.973322 25.48572 8.063433 -2.749212      11.33988 
1 1 1 -15 16 21 o 114.4056 3.261035 643.6783       36.48092 690.9829       54.05782 604.1182       49.43516 118.2407 4.679979 110.5708 4.577511 7.669907       6.546435 
1 1 1 -15 16 22 f 25.14157 7.328379 32.27408       19.13585 28.75000       24.24216 38.10000       31.16954 24.70675 8.394730 28.17937 9.519333 -3.472614      12.69209 
1 1 1 -15 16 23 o 95.45922 3.223038 448.6341       30.07227 460.8370       44.10250 438.0300       41.11204 96.43493 4.686243 94.06364 4.478060 2.371284       6.481813 
1 1 1 -15 16 24 o 84.89323 3.229311 355.0999       26.78531 352.7046       38.37956 357.3745       37.39972 84.29816 4.669559 84.89385 4.517020 -0.5956879     6.496788 
1 1 1 -15 16 25 o 41.56929 4.377194 86.39082       17.54344 72.51610       23.62294 103.4533       26.19650 37.50355 6.680042 45.13002 6.085146 -7.626465      9.036147 
1 1 1 -15 16 26 o 59.38469 4.059057 175.1291       23.45238 151.8904       28.36856 225.3000       41.68285 54.98485 5.338030 66.70893 6.464558 -11.72408      8.383619 
1 1 1 -15 16 27 o 188.5347 6.064035 1785.070       111.7619 1670.000       157.7617 1901.000       158.3505 179.6246 9.001516 192.3059 8.432917 -12.68127      12.33456 
1 1 1 -15 16 28 f 123.1715 3.374582 749.3294       40.64685 659.2879       55.11695 856.6847       60.18323 114.9400 4.910317 131.1537 4.695590 -16.21366      6.794099 
1 1 1 -15 16 29 o 99.80427 4.644276 496.8734       45.24607 0.000000       0.000000 496.8734       45.24607 ?        ?        99.80427 4.644276 ?              ?        
1 1 1 -15 16 30 o 82.57388 3.577977 337.9727       28.85058 291.0000       42.57927 377.8428       39.22820 75.83134 5.779999 86.95595 4.625494 -11.12461      7.402944 
1 1 1 -15 16 31 o 44.67481 4.332142 100.2277       18.70649 92.88586       24.70046 110.1023       28.64576 42.45744 6.120039 46.14379 6.523981 -3.686344      8.945233 
1 1 1 -15 16 32 o 40.09732 4.852617 81.54672       18.65871 68.49567       24.33828 100.1529       29.05996 35.97422 7.163657 43.74274 7.024832 -7.768528      10.03326 
1 1 1 -15 16 33 o 73.21291 3.556253 266.3484       25.40887 320.7971       36.78147 216.6461       35.14174 79.91843 4.722987 65.29202 5.551244 14.62640       7.288547 
1 1 1 -15 16 34 o 11.92701 5.542656 -12.87574      15.59525 2.658042       18.99930 -44.95752      27.30413 16.33295 6.905110 13.38669 6.514892 2.946267       9.493385 
1 1 1 -15 16 35 o 66.66518 3.739437 221.8260       24.30341 259.4780       33.77398 181.3927       34.99918 71.65858 4.843586 59.28655 6.118890 12.37204       7.803919 
1 1 1 -15 16 36 o 51.40830 4.308331 133.4035       21.48024 158.7900       29.16515 103.3080       31.75513 55.64482 5.423421 43.74265 7.697525 11.90216       9.416230 
1 1 1 -15 16 37 f 13.04787 5.958519 -9.410547      16.94111 -18.84100      20.65281 9.986072       29.61937 13.30213 6.245612 20.80689 8.698113 -7.504762      10.70817 
1 1 1 -15 16 38 o 40.03667 5.292120 83.27563       20.23190 94.23230       26.00835 66.48486       32.19650 42.03081 6.533946 33.85180 9.388832 8.179012       11.43865 
1 1 1 -15 16 39 o 18.56650 7.217127 13.43677       18.81364 21.74226       23.81300 -0.3580353     30.68945 21.77228 8.203997 19.21841 8.448377 2.553871       11.77627 
1 1 1 -15 16 40 o 22.45476 7.901626 25.92672       21.55477 37.50380       24.99396 -7.672000      42.57914 25.98028 8.517644 21.14201 9.572818 4.838266       12.81363 
1 1 1 -15 16 41 o 20.44360 7.881941 18.05817       22.30245 34.46800       25.39586 -37.26000      46.62779 25.09542 8.590783 19.25690 9.143848 5.838511       12.54637 
1 1 1 -15 16 42 o 18.44128 7.320496 12.52380       19.71011 18.16810       25.21117 3.650409       31.61060 21.01674 8.299379 19.86249 8.656437 1.154243       11.99223 
1 1 1 -15 16 43 o 21.98173 9.040196 17.54713       31.27249 0.000000       0.000000 17.54713       31.27249 ?        ?        21.98173 9.040196 ?              ?        
1 1 1 -15 16 44 o 22.66504 10.06369 5.765000       44.60388 0.000000       0.000000 5.765000       44.60388 ?        ?        22.66504 10.06369 ?              ?        
1 1 1 -15 16 45 f 26.31523 8.928204 40.26141       27.42018 72.48000       56.70673 30.42936       31.32589 32.67831 12.57628 24.27270 9.345760 8.405611       15.66863 
1 1 1 -15 16 46 o 20.65960 8.373055 17.14095       26.35159 33.04000       57.02798 12.82455       29.71413 27.04791 11.70855 20.51854 8.653002 6.529375       14.55900 
1 1 1 -15 16 47 o 27.91415 7.656960 45.48868       21.54714 26.75575       30.18103 64.96252       30.77209 23.13553 9.097649 32.34748 9.252448 -9.211943      12.97594 
1 1 1 -15 16 48 o 35.58307 7.522247 72.82374       25.37904 58.76935       31.57854 98.46000       42.64944 30.64747 9.524336 38.50478 10.85246 -7.857306      14.43915 
1 1 1 -15 16 49 o 41.29400 6.710925 94.95998       26.19488 97.72388       32.47194 89.81000       44.32518 40.51420 8.461722 36.09538 11.29434 4.418823       14.11251 
1 1 1 -15 16 50 o 23.21558 8.455747 29.91021       24.91048 2.293731       31.11718 79.19000       41.56718 19.02223 8.428087 34.09068 10.97022 -15.06845      13.83396 
1 1 1 -15 16 51 o 19.82545 8.053991 15.70714       24.44835 -2.687743      30.04342 51.77000       42.06598 18.04676 8.117959 28.45852 10.86201 -10.41175      13.56041 
1 1 1 -15 16 52 o 46.17544 7.933537 124.7718       34.56606 124.7718       34.56606 0.000000       0.000000 46.17544 7.933537 ?        ?        ?              ?        
1 1 1 -15 16 53 f 46.10690 6.250387 117.3833       27.48267 130.6000       46.39215 110.2372       34.11264 43.88672 10.85935 42.75521 8.450858 1.131508       13.76017 
1 1 1 -15 16 54 o 31.40507 7.651752 58.91648       23.30212 122.9996       34.39957 4.576091       31.67689 45.42993 8.029398 19.16875 8.497728 26.26118       11.69113 
1 1 1 -15 16 55 o 18.54175 7.589602 13.80309       21.90953 6.956841       32.19305 19.70999       29.90305 19.43266 8.593057 21.06641 8.767942 -1.633751      12.27670 
1 1 1 -15 17 1  o 171.3391 8.234655 1457.000       137.7003 1457.000       137.7003 0.000000       0.000000 171.3391 8.234655 ?        ?        ?              ?        
1 1 1 -15 17 2  f 133.2183 4.867903 873.3162       63.36964 838.5000       97.47823 898.8000       83.39680 130.0003 7.694923 134.8990 6.333570 -4.898758      9.966241 
1 1 1 -15 17 3  o 19.69889 6.618920 17.91526       15.06973 -37.89070      25.94435 46.33006       18.51291 13.78477 6.619885 30.08840 6.477766 -16.30363      9.261983 
1 1 1 -15 17 4  o 117.3599 3.245410 675.8549       37.24591 619.1345       54.36651 726.0223       51.12970 112.1220 4.966074 121.5227 4.305229 -9.400696      6.572434 
1 1 1 -15 17 5  f 149.5213 4.012077 1098.083       58.66591 949.1000       96.72362 1184.788       73.78808 138.4462 7.161831 155.1884 4.863595 -16.74216      8.657157 
1 1 1 -15 17 6  o 81.49497 3.479796 326.3382       27.69427 327.3000       49.24662 325.8933       33.49195 81.25964 6.239222 81.36327 4.219806 -0.1036377     7.532241 
1 1 1 -15 17 7  o 162.3640 4.193646 1295.209       66.59232 1284.000       116.1149 1300.703       81.28915 161.0061 7.387516 162.5551 5.115246 -1.549042      8.985607 
1 1 1 -15 17 8  o 24.35238 6.238190 30.34767       14.93457 34.35000       29.69376 28.99240       17.27910 27.30143 9.290591 23.98706 6.955656 3.314377       11.60587 
1 1 1 -15 17 9  o 113.8914 3.515774 636.9713       39.14695 687.2000       71.37793 615.3634       46.81608 117.8918 6.207362 111.8493 4.284096 6.042526       7.542202 
1 1 1 -15 17 10 o 63.56370 3.329852 198.7272       20.64539 172.1611       32.66576 216.3972       26.64084 58.83841 5.744963 66.25248 4.128604 -7.414066      7.074601 
1 1 1 -15 17 11 o 43.83820 3.968171 95.13199       16.84322 84.52061       27.85619 101.2473       21.14675 40.74025 7.251231 45.11324 4.865748 -4.372986      8.732459 
1 1 1 -15 17 12 o 99.93376 3.168731 490.3370       30.95670 450.7303       46.30996 522.3322       41.62293 95.58004 4.966993 103.0321 4.135587 -7.452072      6.463289 
1 1 1 -15 17 13 o 66.87860 3.224281 219.9355       21.04481 224.1885       32.66394 216.9172       27.51719 67.30535 4.993646 66.30006 4.262764 1.005295       6.565642 
1 1 1 -15 17 14 o 133.2466 3.363717 871.8998       43.83635 862.4123       63.67012 880.4500       60.44357 132.2619 4.926681 133.6971 4.625692 -1.435150      6.757900 
1 1 1 -15 17 15 o 130.4361 3.338386 835.6383       42.58764 840.9517       62.37219 830.9976       58.29078 130.5858 4.888279 129.8674 4.592803 0.7184906      6.707392 
1 1 1 -15 17 16 o 80.15024 3.178452 315.7915       24.88655 308.2010       37.10705 321.9968       33.55082 78.95209 4.824643 80.79532 4.257417 -1.843231      6.434498 
1 1 1 -15 17 17 o 48.98810 3.818861 118.6824       18.16721 111.4826       27.34413 124.3719       24.30770 47.08606 6.074250 49.96929 5.038482 -2.883224      7.891946 
1 1 1 -15 17 18 o 116.4248 3.266183 666.2482       37.18459 664.3561       54.81903 667.8606       50.60704 115.9623 4.840209 116.3521 4.451765 -0.3898087     6.576157 
1 1 1 -15 17 19 o 60.43797 3.425425 180.0972       20.18129 167.9900       29.59072 190.6264       27.59500 58.06652 5.263343 62.01039 4.578609 -3.943863      6.976134 
1 1 1 -15 17 20 o 15.55216 6.301486 5.147963       14.92105 18.00782       21.07013 -7.788872      21.13310 21.10202 7.762053 15.48421 6.898059 5.617807       10.38425 
1 1 1 -15 17 21 o 88.83454 3.180287 388.4314       27.60915 391.2103       40.36634 385.9887       37.84591 88.86501 4.656939 88.32752 4.391173 0.5374908      6.400741 
1 1 1 -15 17 22 o 22.61545 6.722737 25.94804       15.97139 41.69073       22.05662 8.594659       23.15749 28.32026 7.738329 19.37323 7.850122 8.947027       11.02298 
1 1 1 -15 17 23 o 29.64803 5.851086 45.25494       16.37687 54.72525       22.75760 35.08318       23.58537 32.36770 7.351197 26.34310 8.238049 6.024595       11.04108 
1 1 1 -15 17 24 o 65.77985 4.331817 214.9360       27.73609 220.6000       60.45952 213.4263       31.21455 64.75565 9.848422 65.41052 4.911184 -0.6548767     11.00505 
1 1 1 -15 17 25 o 145.8638 5.251866 1060.655       74.86139 969.3000       108.3839 1144.000       103.5232 137.7261 8.075176 150.4035 7.051547 -12.67735      10.72067 
1 1 1 -15 17 26 o 63.74250 4.079441 201.9472       25.31923 182.5093       31.02602 240.7000       43.80785 60.25761 5.314685 68.81419 6.584005 -8.556583      8.461383 
1 1 1 -15 17 27 o 83.86510 4.055229 349.2497       33.19050 292.3000       67.73906 367.2413       38.07403 74.31253 9.531812 85.84566 4.547327 -11.53313      10.56095 
1 1 1 -15 17 28 o 123.5012 3.789560 755.7560       45.75642 731.9000       74.50638 770.2015       57.97772 120.2074 6.354798 124.2304 4.776802 -4.022980      7.949924 
1 1 1 -15 17 29 o 69.55901 3.784023 240.3995       25.66699 264.1000       39.80819 223.5362       33.57885 72.26082 5.673589 66.62693 5.189752 5.633888       7.689157 
1 1 1 -15 17 30 f 69.50250 3.561187 239.7595       24.14633 239.2242       34.10604 240.2974       34.19025 68.92798 5.091029 69.08282 5.092005 -0.1548462     7.200492 
1 1 1 -15 17 31 o 31.45018 6.004183 51.59575       17.80947 48.88386       23.63055 55.16151       27.09651 30.15839 7.908939 31.90563 8.517168 -1.747246      11.62297 
1 1 1 -15 17 32 o 42.36753 4.797702 90.98141       19.54656 91.24816       26.28747 90.65154       29.23248 41.79688 6.647776 41.32083 7.503834 0.4760513      10.02499 
1 1 1 -15 17 33 o 84.12360 3.423201 351.3627       28.12861 369.1375       40.45985 334.7345       39.13305 85.62226 4.847401 81.48337 4.929521 4.138893       6.913571 
1 1 1 -15 17 34 o 10.76376 5.182368 -23.26401      16.13734 -50.99088      20.45857 22.39487       26.25351 10.23198 5.099562 22.81464 8.610327 -12.58266      10.00716 
1 1 1 -15 17 35 o 22.67641 7.060610 26.97378       17.34522 20.76240       22.47921 36.11371       27.26833 21.56366 8.002028 26.25078 8.903478 -4.687122      11.97098 
1 1 1 -15 17 36 f 25.69158 6.985899 35.78218       18.02709 50.30925       23.26188 13.94001       28.52355 30.18348 7.813282 21.28431 8.679668 8.899172       11.67836 
1 1 1 -15 17 37 o 57.00634 4.193308 164.3926       23.23466 187.7605       31.35123 135.9193       34.60703 60.33882 5.364102 50.21590 7.250425 10.12292       9.018994 
1 1 1 -15 17 38 o 44.32726 5.073094 101.5187       21.61549 111.6350       29.02557 88.92284       32.38791 45.66999 6.691421 39.59729 8.602776 6.072701       10.89876 
1 1 1 -15 17 39 o 45.10229 5.584376 106.5171       24.12736 89.78059       28.09017 153.6000       47.11447 40.40609 7.373963 51.25630 9.746877 -10.85021      12.22199 
1 1 1 -15 17 40 o 10.56332 5.211316 -39.24833      19.39347 -32.56849      21.53371 -67.93000      44.62085 12.04412 5.843994 16.67464 8.161107 -4.630522      10.03773 
1 1 1 -15 17 41 o 38.13099 5.779423 77.19967       20.89562 71.90597       26.54802 85.81870       33.87520 35.68324 7.817474 38.17167 9.179445 -2.488426      12.05716 
1 1 1 -15 17 42 o 31.62053 7.125032 55.88607       21.52246 41.18000       28.84605 74.35313       32.32487 26.82285 9.156436 35.26513 9.251140 -8.442274      13.01629 
1 1 1 -15 17 43 f 35.02227 7.048798 68.33987       23.32643 88.15000       33.49599 49.68630       32.50350 38.49989 9.043313 28.82262 9.720909 9.677273       13.27696 
1 1 1 -15 17 44 o 27.02504 8.054417 42.27709       22.90213 53.24000       33.38203 32.52867       31.47870 29.54225 9.850057 24.78402 9.411282 4.758232       13.62336 
1 1 1 -15 17 45 o 12.87962 6.168509 -25.43366      22.18979 -44.96513      25.90681 28.36000       42.99442 12.49459 6.136374 25.08262 10.48212 -12.58803      12.14619 
1 1 1 -15 17 46 o 27.22052 8.758204 44.44583       26.49477 99.20000       56.83987 29.24653       29.94720 36.44727 12.83083 23.64734 9.129125 12.79994       15.74710 
1 1 1 -15 17 47 o 23.30691 8.681453 29.33333       26.50556 18.74000       54.62180 32.59607       30.31382 25.06636 11.13291 24.37949 9.240634 0.6868706      14.46827 
1 1 1 -15 17 48 o 42.60995 7.018665 102.1810       28.25497 100.6000       54.94964 102.7493       32.94380 36.61133 12.63293 41.61936 8.376994 -5.008030      15.15800 
1 1 1 -15 17 49 o 22.69711 8.539370 27.54647       25.77783 40.04000       50.67062 23.18396       29.94205 27.00434 11.33863 22.26989 8.960990 4.734447       14.45212 
1 1 1 -15 17 50 o 46.63155 5.385357 116.0457       24.12994 141.8936       36.11570 95.20336       32.43073 49.65532 7.678086 39.76318 8.584187 9.892143       11.51700 
1 1 1 -15 17 51 o 17.06281 7.536921 0.7799228      24.70129 8.324122       29.71282 -16.10000      44.44496 19.50946 8.448357 19.73781 9.233445 -0.2283516     12.51524 
1 1 1 -15 17 52 o 26.56997 9.235954 43.49844       29.39451 58.44000       41.68467 28.72000       41.45650 29.49071 10.90539 24.42552 10.25593 5.065195       14.97036 
1 1 1 -15 17 53 o 40.39855 7.494421 95.21829       28.54446 122.3668       37.51284 57.88000       43.99309 44.48040 8.926608 29.00048 11.09838 15.47992       14.24283 
1 1 1 -15 17 54 o 30.96880 8.602926 60.54726       27.00837 63.48068       34.82487 56.12000       42.78296 30.45805 10.05758 28.34887 10.92015 2.109184       14.84603 
1 1 1 -15 17 55 o 18.49588 7.974110 9.172873       26.24017 33.47706       34.48751 -24.24000      40.43694 23.90581 9.617881 17.73632 8.448323 6.169483       12.80148 
1 1 1 -15 18 1  o 119.6874 6.051051 707.8000       70.66010 0.000000       0.000000 707.8000       70.66010 ?        ?        119.6874 6.051051 ?              ?        
1 1 1 -15 18 2  o 144.6952 5.070624 1031.015       71.70508 942.5000       106.2685 1105.000       97.15569 137.7201 7.916532 149.4756 6.657065 -11.75548      10.34350 
1 1 1 -15 18 3  o 54.61456 3.557656 146.9566       18.91509 70.06995       32.46670 186.4629       23.27268 36.82495 9.068263 61.51245 3.885094 -24.68750      9.865462 
1 1 1 -15 18 4  o 67.95666 3.275629 227.0199       21.72461 157.8671       35.16484 269.7049       27.62749 56.19271 6.513782 74.02929 3.825669 -17.83658      7.554144 
1 1 1 -15 18 5  o 129.2685 3.717559 820.7798       46.99000 701.3000       78.73793 886.8732       58.56199 118.9652 6.789928 134.2721 4.461979 -15.30691      8.124800 
1 1 1 -15 18 6  o 58.04847 3.559512 165.9609       20.12770 177.7000       38.86360 161.6579       23.52914 59.60193 6.782061 57.21255 4.231489 2.389381       7.993863 
1 1 1 -15 18 7  o 41.29607 4.147069 84.59872       16.53650 59.27644       28.34682 97.66176       20.35986 33.89187 8.547509 44.31292 4.768929 -10.42104      9.787880 
1 1 1 -15 18 8  o 77.58064 3.150454 295.6795       23.87418 290.6923       38.79517 298.7194       30.28863 76.67271 5.200054 77.89154 3.985930 -1.218826      6.551961 
1 1 1 -15 18 9  o 69.62704 3.186769 238.2945       21.66116 243.0243       35.31085 235.4407       27.42822 70.06977 5.185126 69.11301 4.072497 0.9567566      6.593237 
1 1 1 -15 18 10 o 81.41248 3.156130 325.6137       25.10317 320.5175       40.02850 328.9173       32.22848 80.52539 5.104714 81.72684 4.041271 -1.201454      6.510758 
1 1 1 -15 18 11 o 60.40928 3.343361 179.6250       19.69228 197.3881       32.69084 169.5086       24.67054 63.06911 5.345764 58.56121 4.334632 4.507900       6.882313 
1 1 1 -15 18 12 f 61.83980 3.331549 188.2253       20.09158 180.1525       31.84320 193.5647       25.89720 60.20241 5.463192 62.60371 4.251387 -2.401302      6.922482 
1 1 1 -15 18 13 o 69.50893 3.205024 237.6088       21.74741 239.6230       34.02298 236.2173       28.27856 69.55926 5.031017 69.18530 4.195497 0.3739624      6.550827 
1 1 1 -15 18 14 o 123.1020 3.274298 744.4623       39.41883 768.4095       59.09689 725.2678       52.90839 124.7904 4.847347 121.3072 4.463472 3.483131       6.589336 
1 1 1 -15 18 15 o 105.5645 3.158156 547.5558       32.59636 536.2515       48.27228 557.0306       44.19371 104.2095 4.744883 106.3048 4.255789 -2.095314      6.373825 
1 1 1 -15 18 16 o 154.2592 3.609612 1169.609       54.50266 1180.533       79.50448 1159.923       74.86168 154.5188 5.264277 153.2395 4.997627 1.279282       7.258711 
1 1 1 -15 18 17 o 130.0106 3.367917 831.1237       42.82332 806.4446       62.13988 853.4453       59.09726 127.7103 4.980486 131.4822 4.598999 -3.771965      6.779088 
1 1 1 -15 18 18 o 16.13192 6.270556 8.168382       14.20185 28.20106       21.40965 -7.572752      18.97833 24.11830 7.881854 14.58987 6.515800 9.528430       10.22640 
1 1 1 -15 18 19 o 68.20516 3.335882 229.2800       22.20316 225.6096       33.30467 232.2162       29.78872 67.34259 5.090223 68.45226 4.470339 -1.109673      6.774533 
1 1 1 -15 18 20 o 62.45156 3.439226 192.4975       20.94258 201.3990       31.50542 185.4503       28.03243 63.56931 5.106191 61.06480 4.726673 2.504513       6.958062 
1 1 1 -15 18 21 o 104.0991 3.203571 533.5911       32.60397 582.7396       49.03583 494.6452       43.65054 108.4403 4.630388 99.93456 4.473734 8.505760       6.438540 
1 1 1 -15 18 22 o 57.66070 3.616751 164.5159       20.31009 167.4331       29.58199 161.9147       27.93437 57.81853 5.285413 56.90263 5.068326 0.9159050      7.322809 
1 1 1 -15 18 23 o 88.68435 3.899214 389.1011       33.76505 512.4000       75.22475 357.9924       37.78523 100.3068 7.721056 84.88776 4.564263 15.41905       8.969237 
1 1 1 -15 18 24 o 116.7339 4.933907 678.5865       56.24885 707.6000       89.86889 659.9000       72.12277 117.6856 7.846348 114.4098 6.466582 3.275864       10.16769 
1 1 1 -15 18 25 o 49.42305 3.991635 121.6673       19.14603 85.10416       26.26520 163.1254       27.96813 40.51767 6.867643 56.99937 5.065584 -16.48170      8.533737 
1 1 1 -15 18 26 f 79.56426 3.307192 312.9282       25.70016 284.2549       36.42643 341.3481       36.26514 75.35168 4.966446 82.76382 4.493394 -7.412132      6.697475 
1 1 1 -15 18 27 o 43.56630 4.728415 95.62257       19.84084 54.00000       28.89213 132.7689       27.29437 31.71549 8.929932 51.17495 5.536993 -19.45946      10.50723 
1 1 1 -15 18 28 o 64.40296 3.878576 206.3690       24.33700 154.4000       36.10238 249.6555       32.94882 54.66898 6.900062 70.56445 4.798876 -15.89547      8.404764 
1 1 1 -15 18 29 o 38.06807 5.132218 73.84813       18.63700 52.74499       25.50050 98.04423       27.30535 31.29639 8.220024 43.45164 6.629619 -12.15525      10.56033 
1 1 1 -15 18 30 o 16.29409 6.625333 6.215984       16.56153 11.46986       21.99651 -0.6605141     25.16504 19.37264 7.719318 17.96676 7.777650 1.405884       10.95809 
1 1 1 -15 18 31 o 51.73085 4.056731 133.9659       20.37729 139.6736       28.79491 128.2399       28.84082 52.26698 5.721754 49.94434 6.020818 2.322632       8.305944 
1 1 1 -15 18 32 o 16.65627 6.717313 7.381539       16.86651 17.13706       22.57940 -4.933720      25.36933 20.80804 7.954033 17.25907 7.630216 3.548977       11.02211 
1 1 1 -15 18 33 o 55.21163 4.017663 152.7911       21.56394 152.2448       30.07651 153.3690       30.93359 54.46271 5.727476 54.59777 5.880918 -0.1350632     8.209090 
1 1 1 -15 18 34 o 69.97610 3.653974 244.4758       24.94101 277.4334       36.56037 215.7866       34.11075 73.88905 5.086063 64.96368 5.413475 8.925369       7.427903 
1 1 1 -15 18 35 o 61.01041 3.896164 186.9007       23.14579 209.1720       33.23422 165.9237       32.25397 63.85349 5.366967 56.54348 5.915078 7.310009       7.987020 
1 1 1 -15 18 36 f 69.14372 3.715792 239.8167       25.05603 227.4619       34.85725 253.0253       36.04156 66.44085 5.406529 70.17050 5.286253 -3.729652      7.561417 
1 1 1 -15 18 37 o 83.15573 3.562634 346.4203       28.93090 368.3014       40.91253 324.5351       40.91641 84.84990 4.947513 79.38273 5.296104 5.467171       7.247524 
1 1 1 -15 18 38 f 14.26895 6.392596 -5.481602      18.42208 -3.898093      24.02632 -7.740623      28.69705 16.60825 7.379562 17.53930 7.907936 -0.9310589     10.81635 
1 1 1 -15 18 39 o 18.04995 7.355375 9.806664       20.46574 10.98009       22.97090 5.290000       45.06708 18.99669 7.773012 23.08748 10.19002 -4.090792      12.81625 
1 1 1 -15 18 40 o 18.44929 7.214361 13.35332       18.88907 16.79429       23.86694 7.584841       30.90201 20.44476 8.074599 20.31782 8.704895 0.1269398      11.87326 
1 1 1 -15 18 41 o 16.57640 7.083660 3.435293       20.36752 16.08000       26.96721 -13.35591      31.07582 20.88260 8.467791 17.38587 7.988147 3.496735       11.64105 
1 1 1 -15 18 42 o 58.29818 4.640063 175.0775       26.25968 216.5000       38.98382 140.6702       35.52966 63.53823 6.353314 50.31790 7.437589 13.22034       9.781734 
1 1 1 -15 18 43 o 44.17618 5.220928 102.5234       22.14001 103.4612       29.49730 101.3135       33.50575 43.09342 7.250162 41.72174 8.493551 1.371674       11.16715 
1 1 1 -15 18 44 o 17.82767 7.241428 10.77476       19.76093 14.25826       26.04888 6.052358       30.32933 20.07005 8.252003 19.59838 8.510934 0.4716644      11.85460 
1 1 1 -15 18 45 o 19.48486 7.641085 16.50297       21.24035 5.351000       30.96724 26.41054       29.18840 19.55438 8.544153 22.98988 8.974383 -3.435499      12.39121 
1 1 1 -15 18 46 o 32.25787 7.934561 61.28100       24.87744 84.21374       29.63174 6.515000       45.79148 37.73199 8.253302 22.47479 10.07300 15.25720       13.02237 
1 1 1 -15 18 47 o 19.23699 7.563509 16.06059       20.85774 23.78535       29.31552 8.141211       29.68251 22.36630 8.911727 19.61521 8.469000 2.751091       12.29402 
1 1 1 -15 18 48 o 49.92042 4.999612 131.2576       24.10144 135.7111       35.11663 127.2916       33.13849 48.63815 7.626703 47.27843 7.403630 1.359711       10.62922 
1 1 1 -15 18 49 o 15.08585 6.801602 -5.035933      21.22789 -0.1720573     31.34450 -9.156938      28.85172 18.70348 8.361875 16.87944 7.733747 1.824039       11.38999 
1 1 1 -15 18 50 o 40.27916 9.112799 100.2396       35.08576 133.0000       53.03344 74.74000       46.78873 42.95004 12.10043 32.43986 11.61880 10.51019       16.77548 
1 1 1 -15 18 51 f 17.46373 7.713480 1.444782       25.86787 17.12000       52.15398 -3.669591      29.79043 24.13037 10.78727 17.75517 8.026361 6.375204       13.44573 
1 1 1 -15 18 52 o 20.85092 8.444811 19.61204       26.78424 2.025000       53.45338 25.50813       30.95002 22.65437 10.43349 22.57455 9.101071 0.7981682E-01  13.84512 
1 1 1 -15 18 53 o 23.95980 8.596928 34.31311       25.62808 31.40000       52.01666 35.24692       29.45062 25.23198 11.04811 24.29686 9.130404 0.9351158      14.33265 
1 1 1 -15 18 54 o 16.22624 7.322776 -2.851636      24.67393 -20.97000      48.48158 3.481694       28.66378 19.56257 9.298995 18.16564 8.066588 1.396931       12.31021 
1 1 1 -15 19 1  o 50.53184 4.226703 126.3302       20.71476 134.9433       33.31260 120.9000       26.45048 51.83097 6.724544 49.22294 5.588650 2.608032       8.743712 
1 1 1 -15 19 2  o 60.83851 3.809015 182.4364       22.56903 155.7000       61.13440 186.6552       24.28444 54.58015 11.78835 61.51193 4.055952 -6.931786      12.46659 
1 1 1 -15 19 3  o 109.9361 4.160169 594.6339       44.68616 0.000000       0.000000 594.6339       44.68616 ?        ?        109.9361 4.160169 ?              ?        
1 1 1 -15 19 4  o 56.91293 5.085194 160.7000       28.03043 0.000000       0.000000 160.7000       28.03043 ?        ?        56.91293 5.085194 ?              ?        
1 1 1 -15 19 5  o 143.1249 3.914221 1006.831       54.78464 991.7000       97.09277 1013.898       66.35706 141.3752 7.038421 143.4865 4.731120 -2.111313      8.480735 
1 1 1 -15 19 6  o 46.77841 4.027153 108.2883       18.26020 81.36000       34.97339 118.3803       21.41020 39.61108 9.197173 48.85766 4.528477 -9.246586      10.25159 
1 1 1 -15 19 7  o 130.2908 3.381353 833.6578       43.08671 786.4169       63.26930 874.5148       58.83921 126.2600 5.130105 133.2711 4.517029 -7.011047      6.835315 
1 1 1 -15 19 8  f 176.0084 4.426558 1524.483       76.20106 1623.000       138.8395 1482.014       91.15770 180.5549 7.874869 173.3116 5.380044 7.243317       9.537212 
1 1 1 -15 19 9  o 12.55968 5.449554 -1.910781      12.41251 2.118179       25.11145 -3.213457      14.27886 18.86314 7.954761 13.23608 5.792194 5.627067       9.840108 
1 1 1 -15 19 10 o 64.31020 3.292853 203.5278       20.65904 203.5779       34.17619 203.4989       25.93352 64.00433 5.508709 64.20245 4.148921 -0.1981201     6.896334 
1 1 1 -15 19 11 o 24.18695 5.999829 30.05639       14.13553 20.93915       25.09727 34.29242       17.10701 22.94542 8.465992 25.82984 6.707463 -2.884428      10.80107 
1 1 1 -15 19 12 o 39.22629 4.163958 76.53464       15.74390 67.44388       26.14386 81.70720       19.72071 36.15216 7.628221 40.38956 5.101858 -4.237400      9.177075 
1 1 1 -15 19 13 o 106.1488 3.171900 553.7017       32.91949 542.8400       49.59358 562.2571       44.01454 104.8167 4.846921 106.8003 4.218640 -1.983604      6.425696 
1 1 1 -15 19 14 o 60.18943 3.299860 178.4803       19.36677 196.6757       31.61081 167.5464       24.50423 62.90234 5.179942 58.16829 4.334932 4.734051       6.754512 
1 1 1 -15 19 15 o 85.55777 3.116845 359.9797       26.05881 340.0463       39.45962 375.3966       34.70245 82.85971 4.886929 87.22694 4.075733 -4.367226      6.363464 
1 1 1 -15 19 16 o 103.8715 3.142132 530.5482       31.91003 539.6721       48.04257 523.3454       42.68604 104.4559 4.710925 102.9628 4.244547 1.493080       6.341056 
1 1 1 -15 19 17 o 107.1967 3.195529 565.2910       33.49232 585.9557       50.70905 549.3008       44.60627 108.8000 4.773187 105.4416 4.331149 3.358414       6.445321 
1 1 1 -15 19 18 f 124.2413 3.302977 759.7407       40.13214 790.3351       60.03930 735.0306       53.95744 126.3065 4.865380 121.8994 4.530015 4.407051       6.647778 
1 1 1 -15 19 19 o 50.86428 4.800053 129.1480       23.61558 133.6012       28.45846 119.3000       42.32017 51.52990 5.739464 47.60018 9.416683 3.929722       11.02794 
1 1 1 -15 19 20 o 118.2919 3.287417 689.2987       38.02723 756.2309       57.87096 638.4371       50.44735 123.4607 4.797922 113.5022 4.549975 9.958572       6.612287 
1 1 1 -15 19 21 o 94.71472 3.212820 442.1460       29.74274 427.9533       43.80077 454.2898       40.51616 92.76768 4.840428 95.73503 4.334903 -2.967354      6.497779 
1 1 1 -15 19 22 o 112.3678 3.291536 622.6229       36.16417 647.7747       53.15784 600.9517       49.34270 114.1513 4.768013 110.0032 4.592697 4.148132       6.620182 
1 1 1 -15 19 23 o 75.34692 3.818774 281.2848       28.07225 284.7971       35.58828 275.5000       45.67248 75.54013 4.838520 73.76373 6.388577 1.776405       8.014062 
1 1 1 -15 19 24 o 68.03028 4.275049 230.4287       28.32359 254.3000       64.83496 224.7986       31.48706 69.10239 9.865094 67.03301 4.831259 2.069382       10.98459 
1 1 1 -15 19 25 o 54.12930 3.837188 145.7419       20.19888 131.4255       28.63406 159.9221       28.49748 50.83635 5.861630 56.34053 5.227090 -5.504177      7.853736 
1 1 1 -15 19 26 o 109.2581 4.564183 595.2950       48.70410 0.000000       0.000000 595.2950       48.70410 ?        ?        109.2581 4.564183 ?              ?        
1 1 1 -15 19 27 o 77.67588 4.156356 300.6296       31.48625 283.2000       67.72247 305.4362       35.56374 72.56926 9.782923 78.11449 4.672605 -5.545227      10.84153 
1 1 1 -15 19 28 o 28.47458 6.490839 42.77727       17.68752 27.21422       24.60712 59.41377       25.44161 23.92293 8.440504 33.25344 7.928483 -9.330507      11.58028 
1 1 1 -15 19 29 o 58.82256 3.739871 172.3275       21.42160 173.7775       30.74548 170.9597       29.86322 58.51823 5.429569 58.08233 5.311475 0.4359055      7.595525 
1 1 1 -15 19 30 o 47.10029 4.330064 111.5711       19.73969 118.5066       27.78245 104.5006       28.05177 47.96484 6.052002 44.79141 6.595455 3.173431       8.951355 
1 1 1 -15 19 31 o 22.05992 7.075663 24.87466       17.30224 9.033426       23.58933 43.32102       25.45519 19.22415 7.872768 28.34171 8.502065 -9.117561      11.58730 
1 1 1 -15 19 32 o 40.80619 5.026585 85.08160       19.65347 84.65211       27.46768 85.53216       28.13265 39.81804 7.317070 39.96495 7.466065 -0.1469154     10.45379 
1 1 1 -15 19 33 f 39.39913 5.313924 80.03799       19.97112 86.97575       28.28483 73.14069       28.20222 40.18456 7.465736 36.49791 8.105254 3.686642       11.01964 
1 1 1 -15 19 34 o 23.27538 7.251749 28.76705       18.29387 50.01863       25.41337 5.911112       26.35520 29.96899 8.352458 19.21192 8.127978 10.75707       11.65451 
1 1 1 -15 19 35 o 21.85143 7.289723 24.70680       18.28297 22.56967       24.71222 27.29112       27.17494 22.23620 8.362067 23.76880 8.802303 -1.532597      12.14104 
1 1 1 -15 19 36 o 24.02800 7.397860 31.40331       19.10346 5.886081       25.62777 63.31225       28.65829 18.82685 7.992188 33.23618 8.706706 -14.40933      11.81871 
1 1 1 -15 19 37 o 23.82856 8.572866 29.18457       25.50418 62.80000       55.51905 20.19341       28.71312 32.48725 12.45896 22.27566 8.837852 10.21159       15.27525 
1 1 1 -15 19 38 o 62.97751 4.487372 202.4550       27.48079 202.7433       32.97956 201.8000       49.70564 62.42006 5.452449 59.62318 8.779505 2.796883       10.33484 
1 1 1 -15 19 39 o 26.32737 7.376396 38.81086       19.76489 19.46193       25.25853 69.37040       31.74336 21.32863 8.341860 34.20733 9.256981 -12.87870      12.46107 
1 1 1 -15 19 40 o 13.68906 6.334555 -12.87370      20.04516 -10.66000      27.19245 -15.50827      29.66492 16.54664 7.553521 16.71502 7.724669 -0.1683731     10.80399 
1 1 1 -15 19 41 o 22.49401 7.584264 27.35212       19.78534 39.95469       25.85574 9.545863       30.73363 26.38518 8.663948 20.44626 8.718418 5.938923       12.29125 
1 1 1 -15 19 42 o 43.92457 5.220526 101.4086       22.00687 94.37023       29.60993 110.0944       32.89319 40.79552 7.697274 43.95398 7.937453 -3.158463      11.05673 
1 1 1 -15 19 43 o 23.65246 7.677904 31.48777       20.33368 19.39184       27.32301 46.50230       30.44140 21.37016 8.573561 27.82699 9.407465 -6.456829      12.72817 
1 1 1 -15 19 44 o 27.49332 7.387704 43.64925       20.30414 53.19914       28.18279 33.34324       29.27724 29.52221 8.965639 24.49760 9.124251 5.024612       12.79198 
1 1 1 -15 19 45 o 46.54437 5.041042 114.2012       22.60028 115.1743       31.85103 113.2145       32.07337 44.91351 7.509983 44.40233 7.656031 0.5111732      10.72449 
1 1 1 -15 19 46 o 40.20837 6.316490 88.83508       24.04116 96.12000       37.67523 83.83115       31.22471 38.91492 9.875925 37.25885 8.717454 1.656078       13.17300 
1 1 1 -15 19 47 o 31.00854 8.323997 57.94489       25.79247 65.80759       31.44573 41.78000       45.08810 32.29809 9.388546 26.91412 10.93609 5.383976       14.41329 
1 1 1 -15 19 48 f 29.91292 7.400430 52.12912       21.54789 38.45115       30.54764 65.67477       30.39952 25.49914 9.351698 32.36609 9.176098 -6.866947      13.10172 
1 1 1 -15 19 49 o 48.79762 5.733879 128.4917       26.86557 131.9075       33.10260 121.9000       45.98423 48.19210 7.241153 42.47046 10.98108 5.721642       13.15365 
1 1 1 -15 19 50 o 21.62272 7.821644 25.54604       21.26528 24.78293       30.55215 26.26314       29.61694 22.49581 9.051850 22.67643 8.982574 -0.1806202     12.75236 
1 1 1 -15 19 51 o 27.93993 7.805230 46.69801       22.16446 61.43167       31.74451 32.68291       30.96075 30.81752 9.544766 24.07972 9.285963 6.737801       13.31659 
1 1 1 -15 19 52 o 54.80170 4.681789 158.0174       24.87347 174.4949       36.16108 143.2200       34.26801 55.57981 6.787533 49.88105 7.228991 5.698761       9.916094 
1 1 1 -15 19 53 o 40.14314 6.028356 89.72431       22.95625 90.44023       33.77409 89.10955       31.29727 37.29031 9.288043 37.65749 8.670218 -0.3671761     12.70592 
1 1 1 -15 19 54 o 29.80981 8.411523 56.63277       25.60631 49.82484       31.99163 68.77000       42.71579 27.15509 9.620041 30.17365 11.05973 -3.018564      14.65820 
1 1 1 -15 20 1  o 79.45057 3.700819 310.6951       28.70161 304.1169       40.25069 317.5000       40.93846 78.37313 5.277637 80.09102 5.251017 -1.717888      7.444906 
1 1 1 -15 20 2  f 75.61259 3.452135 281.2546       25.48243 188.1000       48.42229 316.9345       29.96779 60.91462 8.339896 80.22987 3.827070 -19.31525      9.176074 
1 1 1 -15 20 3  o 136.4224 4.585083 916.8763       61.13948 0.000000       0.000000 916.8763       61.13948 ?        ?        136.4224 4.585083 ?              ?        
1 1 1 -15 20 4  o 100.8250 4.090386 500.5373       40.28431 0.000000       0.000000 500.5373       40.28431 ?        ?        100.8250 4.090386 ?              ?        
1 1 1 -15 20 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 20 6  o 60.13987 4.825241 179.2703       28.16637 178.7797       35.53127 180.1000       46.20582 59.82177 6.155759 59.60262 8.131852 0.2191467      10.19904 
1 1 1 -15 20 7  o 74.16797 3.216939 270.5179       23.29869 244.7259       37.52315 286.7007       29.72234 70.20112 5.504706 76.26136 3.995674 -6.060242      6.802000 
1 1 1 -15 20 8  o 86.07963 3.140631 364.1786       26.41769 350.3984       41.42392 373.6252       34.29748 84.14887 5.052444 87.07197 4.035155 -2.923096      6.466040 
1 1 1 -15 20 9  f 96.36113 3.440767 456.6752       32.40154 527.6000       61.20343 429.0561       38.19279 103.0663 6.093904 93.28583 4.193448 9.780457       7.397343 
1 1 1 -15 20 10 o 43.16570 3.868143 92.35321       16.17052 84.81520       28.06873 96.09790       19.78345 40.69109 7.316152 43.91524 4.674090 -3.224155      8.681773 
1 1 1 -15 20 11 o 120.5162 3.267424 713.8990       38.50846 692.5223       57.36696 731.4314       51.95301 118.3639 4.962506 121.7840 4.365333 -3.420135      6.609281 
1 1 1 -15 20 12 o 68.08802 3.202556 228.2083       21.28408 230.7176       34.44236 226.6581       27.07183 68.14304 5.203096 67.73061 4.102682 0.4124222      6.626025 
1 1 1 -15 20 13 o 100.3366 3.143739 495.0215       30.83725 462.9131       46.45857 520.3084       41.22918 96.69370 4.924863 102.7022 4.109570 -6.008514      6.414268 
1 1 1 -15 20 14 o 80.82118 3.069961 321.3553       24.24231 338.9462       38.32456 309.6221       31.29990 82.71262 4.753706 79.17634 4.052176 3.536278       6.246427 
1 1 1 -15 20 15 o 82.07985 3.113261 331.5588       24.96722 344.3712       38.92358 322.6018       32.54452 83.34167 4.791581 80.79160 4.129031 2.550072       6.325199 
1 1 1 -15 20 16 o 59.83152 3.369649 176.6666       19.65451 184.4171       30.87067 171.3833       25.48781 60.78485 5.239623 58.74174 4.466291 2.043114       6.884868 
1 1 1 -15 20 17 o 102.5223 3.172047 517.4510       31.79373 525.6602       48.12342 511.0925       42.35347 102.9494 4.788705 101.6489 4.266254 1.300484       6.413472 
1 1 1 -15 20 18 o 79.12337 3.189365 308.5387       24.65042 313.9687       37.92933 304.5681       32.43407 79.44619 4.901347 78.40285 4.242129 1.043335       6.482195 
1 1 1 -15 20 19 o 76.81003 3.221689 290.9487       24.16810 305.9999       37.19324 279.9490       31.79566 78.39971 4.870725 75.10789 4.343426 3.291817       6.526049 
1 1 1 -15 20 20 o 147.9415 3.585626 1079.500       51.92318 1102.317       76.46759 1059.978       70.72867 148.7487 5.260198 146.0053 4.956220 2.743408       7.227295 
1 1 1 -15 20 21 o 26.66001 6.872068 37.19393       18.04659 36.10241       23.76741 38.68000       27.73236 26.55120 8.264683 27.64835 8.965961 -1.097158      12.19399 
1 1 1 -15 20 22 o 97.42168 3.731203 469.7988       35.51462 469.8621       45.49195 469.7000       56.82959 97.07059 4.802765 96.53588 6.044559 0.5347061      7.720313 
1 1 1 -15 20 23 o 58.37945 3.679134 169.1697       20.91691 176.2654       30.59390 162.9416       28.66243 59.14730 5.341895 56.89233 5.204579 2.254974       7.458115 
1 1 1 -15 20 24 o 59.06479 4.606154 174.6531       26.41971 140.2000       62.01065 182.2940       29.20276 49.47855 12.73075 60.23270 4.998162 -10.75415      13.67675 
1 1 1 -15 20 25 o 59.03131 3.996562 173.6269       22.95659 196.3000       36.94994 159.3731       29.29700 62.05813 6.164275 56.13150 5.398752 5.926628       8.194194 
1 1 1 -15 20 26 o 118.2703 4.043861 695.5424       46.74541 565.1000       88.44188 746.1088       55.06546 103.5665 8.807815 122.2117 4.611476 -18.64520      9.941998 
1 1 1 -15 20 27 o 45.32541 4.454841 103.3839       19.50914 112.4049       28.10223 94.99174       27.10498 46.66693 6.313954 42.69705 6.706329 3.969883       9.210911 
1 1 1 -15 20 28 o 70.20434 3.477144 244.6997       23.81986 270.8651       35.48817 223.2469       32.13380 73.33851 4.973036 66.55259 4.968627 6.785919       7.029818 
1 1 1 -15 20 29 f 88.28452 3.321628 386.4670       28.65277 395.1047       42.55482 379.3035       38.75366 88.58482 4.927172 86.96090 4.568869 1.623917       6.719493 
1 1 1 -15 20 30 o 39.03391 5.023834 77.83206       18.75021 92.50591       26.84818 63.86095       26.19740 41.95572 6.767822 34.29850 7.957502 7.657223       10.44630 
1 1 1 -15 20 31 o 97.51916 3.369307 472.3714       32.11322 515.2270       48.59814 439.1549       42.78512 101.0168 4.929845 93.37818 4.696100 7.638618       6.808578 
1 1 1 -15 20 32 o 15.91340 6.677275 3.628377       17.55431 -5.331811      24.31466 13.38328       25.37004 16.71060 7.424454 20.49145 8.247418 -3.780844      11.09696 
1 1 1 -15 20 33 o 39.75380 5.142644 81.51026       19.54269 79.71613       27.61638 83.30991       27.65875 38.20033 7.652676 39.15339 7.489818 -0.9530640     10.70798 
1 1 1 -15 20 34 o 23.60915 7.251253 30.01380       18.36751 57.39975       25.67683 1.315163       26.28501 31.97594 8.173578 18.29196 7.933521 13.68398       11.39070 
1 1 1 -15 20 35 o 31.25706 7.452402 54.24998       22.47818 55.17699       26.45037 51.84000       42.64781 31.12355 8.461679 30.21741 11.05493 0.9061432      13.92162 
1 1 1 -15 20 36 o 13.29667 6.347333 -26.45711      23.08360 0.2552000      53.15427 -32.66587      25.62624 24.12149 10.82856 13.62739 6.553307 10.49410       12.65715 
1 1 1 -15 20 37 o 26.76300 7.544310 40.13786       20.60910 36.19266       23.77326 52.07000       41.34406 25.51390 8.303384 29.90053 10.89306 -4.386633      13.69690 
1 1 1 -15 20 38 o 22.84491 7.289289 28.39871       18.38092 39.36908       23.60075 11.48497       29.30454 26.37062 8.239849 20.58748 8.632179 5.783142       11.93355 
1 1 1 -15 20 39 o 17.87816 7.274526 10.00251       19.98271 8.669000       27.30271 11.54090       29.32521 19.55676 8.273282 20.54736 8.626567 -0.9906044     11.95261 
1 1 1 -15 20 40 o 16.37829 6.917120 4.825737       19.03319 -30.85333      24.75187 56.44532       29.77203 13.36875 6.431901 30.69562 9.191656 -17.32688      11.21855 
1 1 1 -15 20 41 f 23.16611 7.477830 29.81422       19.30410 24.54781       25.18460 37.31575       30.05748 22.25505 8.425565 25.73296 9.300334 -3.477909      12.54936 
1 1 1 -15 20 42 o 39.15451 5.687153 82.09795       21.15935 85.54486       28.16451 77.63152       32.06024 38.67344 7.710826 35.76640 9.128336 2.907043       11.94920 
1 1 1 -15 20 43 o 21.96892 7.489597 26.53163       19.29857 30.67392       25.91194 21.37187       28.91972 23.60434 8.619946 21.90538 8.809347 1.698959       12.32510 
1 1 1 -15 20 44 o 23.43157 7.526161 31.31027       19.57071 58.66351       26.99249 0.9943447      28.41672 31.10704 8.584786 18.21145 8.062210 12.89559       11.77700 
1 1 1 -15 20 45 o 42.19665 5.321522 94.79515       21.49179 102.2386       29.57254 86.46312       31.28792 42.35544 7.402334 37.91490 8.625701 4.440540       11.36650 
1 1 1 -15 20 46 o 17.36637 7.166565 9.437419       19.74202 5.834824       27.21699 13.43752       28.67924 18.60280 8.070614 20.22465 8.513443 -1.621849      11.73088 
1 1 1 -15 20 47 o 44.64704 5.765893 107.8508       24.61019 185.9000       39.78271 59.46670       31.32286 57.29736 7.255832 30.56931 9.483370 26.72805       11.94075 
1 1 1 -15 20 48 f 27.91758 8.161380 46.90183       23.70283 1.114995       28.42106 151.5000       42.95681 18.12598 8.041584 49.72518 9.163233 -31.59920      12.19147 
1 1 1 -15 20 49 o 41.34335 5.577092 92.38352       21.99430 85.71866       30.62209 99.48569       31.61073 37.54044 8.528268 40.84691 8.191552 -3.306465      11.82510 
1 1 1 -15 20 50 o 21.84321 7.778449 26.50067       20.93988 22.26537       29.17305 31.00173       30.07443 21.79810 8.818805 23.66939 9.145594 -1.871296      12.70485 
1 1 1 -15 20 51 o 27.06149 7.610977 43.82710       20.99994 73.60714       29.88538 14.78083       29.51490 34.19427 8.858362 20.34302 8.603723 13.85125       12.34887 
1 1 1 -15 20 52 o 24.51095 7.740919 36.22889       20.77470 60.05807       30.36705 15.26472       28.48308 30.19764 9.332440 20.09673 8.473312 10.10091       12.60522 
1 1 1 -15 20 53 o 36.73568 6.276675 76.29044       21.75960 88.17007       31.49977 65.44764       30.09380 37.23624 8.785341 31.50017 9.192516 5.736071       12.71552 
1 1 1 -15 21 1  o 57.85483 5.011666 166.3013       28.10138 112.1000       42.33331 209.0000       37.57377 46.38695 9.638665 64.71883 5.999567 -18.33189      11.35335 
1 1 1 -15 21 2  f 47.28056 3.953883 110.6962       18.13098 111.7000       40.78168 110.4490       20.24143 46.37631 9.307708 47.15611 4.437435 -0.7797928     10.31137 
1 1 1 -15 21 3  o 48.60777 3.763430 116.8364       17.76651 96.66965       32.49731 125.4337       21.21820 43.37025 7.947872 50.29077 4.353189 -6.920517      9.061950 
1 1 1 -15 21 4  o 117.4223 3.740200 678.5008       42.93361 619.0000       84.94886 698.9135       49.75605 111.1081 7.861750 119.0784 4.275748 -7.970337      8.949253 
1 1 1 -15 21 5  o 89.20692 3.622293 391.7686       31.56343 295.5000       66.37758 419.8961       35.87942 76.19534 9.078264 92.30373 3.980540 -16.10839      9.912597 
1 1 1 -15 21 6  o 95.12518 4.088257 446.1306       37.97738 0.000000       0.000000 446.1306       37.97738 ?        ?        95.12518 4.088257 ?              ?        
1 1 1 -15 21 7  o 55.44103 3.952266 151.9870       21.30719 153.2998       33.55514 151.1000       27.58141 55.24780 6.318450 55.07709 5.176800 0.1707039      8.168357 
1 1 1 -15 21 8  o 104.4859 3.214922 536.7474       32.84107 529.1001       50.70940 542.2721       43.10121 103.3994 5.025353 104.8536 4.208071 -1.454147      6.554543 
1 1 1 -15 21 9  o 70.80470 3.227251 246.7986       22.30785 220.6413       36.36843 262.5763       28.24550 66.52776 5.637942 72.93047 3.971698 -6.402718      6.896432 
1 1 1 -15 21 10 o 42.61881 3.989292 90.20463       16.44851 116.3617       30.54685 79.52345       19.52008 47.91217 6.696127 39.79103 5.131079 8.121136       8.436000 
1 1 1 -15 21 11 o 61.12683 3.337951 184.2312       19.89605 184.8972       33.54846 183.8699       24.71060 60.81077 5.702732 60.94115 4.167622 -0.1303787     7.063301 
1 1 1 -15 21 12 f 52.23821 3.498440 134.8370       17.78517 122.0322       29.28845 142.3168       22.38489 49.16048 6.226009 53.54596 4.307234 -4.385483      7.570697 
1 1 1 -15 21 13 o 84.04729 3.122494 347.7133       25.64341 315.7177       39.44674 371.1310       33.74718 79.69795 5.083083 86.68099 3.988162 -6.983040      6.460895 
1 1 1 -15 21 14 o 85.61603 3.117192 360.8822       26.07950 349.5059       40.60401 368.8710       34.02580 83.87106 4.968219 86.38828 4.035049 -2.517220      6.400377 
1 1 1 -15 21 15 o 84.82585 3.163584 354.4213       26.22118 364.8761       41.65455 347.5594       33.74637 85.66697 4.989147 83.81149 4.126239 1.855484       6.474368 
1 1 1 -15 21 16 o 96.19799 3.187162 455.8766       29.96928 441.0704       45.73603 467.0177       39.67350 94.17923 4.979008 97.14079 4.182263 -2.961563      6.502449 
1 1 1 -15 21 17 o 48.34543 3.802192 116.0319       17.84797 121.8371       29.39587 112.6423       22.46214 48.97260 6.276453 47.40466 4.911972 1.567936       7.970026 
1 1 1 -15 21 18 o 39.79230 4.324784 79.26121       16.57432 86.09780       26.63930 74.94326       21.17102 40.84206 6.909769 38.33273 5.825537 2.509327       9.037798 
1 1 1 -15 21 19 o 15.24343 6.202806 4.898439       14.52946 -4.388318      23.46512 10.67295       18.50326 16.88142 7.405263 18.25716 7.139990 -1.375732      10.28676 
1 1 1 -15 21 20 o 19.46294 7.066321 16.18291       17.37740 16.44878       24.20223 15.90000       24.96627 21.31729 8.212888 21.38913 8.314022 -0.7183456E-01 11.68651 
1 1 1 -15 21 21 o 28.76974 6.718643 43.48134       18.57565 30.90513       25.32774 58.12000       27.32575 25.17334 8.580173 32.96815 8.434449 -7.794813      12.03160 
1 1 1 -15 21 22 o 100.5444 3.288143 499.5099       32.31694 496.6153       47.99079 501.9116       43.71412 99.66181 4.934870 100.3871 4.459880 -0.7252655     6.651577 
1 1 1 -15 21 23 o 126.8428 3.819382 797.7424       47.36638 720.7000       77.59184 843.5073       59.80222 118.9720 6.689876 130.0001 4.707442 -11.02810      8.180125 
1 1 1 -15 21 24 o 16.19121 6.691692 4.628103       17.24743 0.1117000      26.02709 8.164260       23.03005 18.43618 7.944963 18.99962 7.779627 -0.5634403     11.11958 
1 1 1 -15 21 25 o 61.04493 3.742129 185.4257       22.25269 164.7704       32.75729 203.1258       30.32355 56.80116 5.981432 63.53468 4.914163 -6.733524      7.741222 
1 1 1 -15 21 26 o 59.66052 3.733103 177.2455       21.69108 133.4914       31.17569 218.3017       30.19925 50.86160 6.403729 65.91434 4.711767 -15.05275      7.950377 
1 1 1 -15 21 27 o 66.47996 3.575227 219.7253       23.17929 211.4060       33.87835 227.0472       31.78283 64.56100 5.410724 67.14111 4.869216 -2.580109      7.279094 
1 1 1 -15 21 28 o 44.49554 4.447720 99.90839       19.11204 77.20471       27.62124 120.7627       26.47236 37.91882 7.704939 48.52975 5.680206 -10.61093      9.572399 
1 1 1 -15 21 29 o 41.71090 4.808041 88.46271       19.27139 26.81277       27.12598 151.2891       27.38357 24.05564 8.814018 54.53613 5.192372 -30.48049      10.22974 
1 1 1 -15 21 30 o 42.43756 4.774981 91.67328       19.49100 98.66302       28.21718 85.29487       26.95500 43.19358 6.906585 39.99707 7.147346 3.196514       9.939088 
1 1 1 -15 21 31 o 40.46854 5.056714 84.07468       19.59457 94.67751       27.79104 73.59328       27.63147 42.15720 6.978789 36.64492 7.933755 5.512280       10.56636 
1 1 1 -15 21 32 o 26.95005 6.935797 39.48420       18.40277 56.24482       25.83775 22.22754       26.21729 31.73914 8.243886 22.51550 8.579587 9.223642       11.89836 
1 1 1 -15 21 33 o 37.58064 5.351763 73.58064       19.13075 78.86438       26.81286 68.10165       27.30374 37.91653 7.490295 34.85278 8.149889 3.063751       11.06911 
1 1 1 -15 21 34 o 53.98114 4.883219 149.6436       25.52328 147.8630       30.61681 153.7000       46.21155 53.03594 6.003137 51.60442 9.498559 1.431526       11.23656 
1 1 1 -15 21 35 o 29.91697 6.437627 48.64359       18.29242 33.99103       24.50494 67.08399       27.49047 24.99436 8.440505 34.32318 8.278967 -9.328821      11.82300 
1 1 1 -15 21 36 o 20.09508 7.403309 19.07426       19.18002 25.66431       22.42526 1.119000       37.01595 22.43575 8.042807 20.85431 9.218335 1.581436       12.23374 
1 1 1 -15 21 37 o 21.41157 7.236099 24.13249       18.01056 29.97763       23.40812 15.65133       28.19661 23.66003 8.240926 21.10056 8.620287 2.559467       11.92569 
1 1 1 -15 21 38 o 19.92817 7.465391 18.43879       19.65630 38.28000       27.48926 -2.320141      28.11781 26.06563 8.937397 17.98258 7.987116 8.083054       11.98629 
1 1 1 -15 21 39 o 48.03895 4.694624 119.3727       21.79357 131.4813       29.50073 104.8253       32.33547 49.47157 6.230004 42.91312 7.992090 6.558453       10.13343 
1 1 1 -15 21 40 o 27.06802 7.102629 41.44141       19.05071 28.40973       24.59669 60.97967       30.11754 23.13278 8.405769 31.73726 9.177125 -8.604479      12.44494 
1 1 1 -15 21 41 o 47.12604 4.716168 115.4166       21.46291 116.8864       28.44289 113.4729       32.70842 46.31047 6.449368 44.64513 7.766677 1.665348       10.09533 
1 1 1 -15 21 42 o 16.17741 6.790191 5.863251       18.16187 12.20636       23.21467 -4.144499      29.15948 18.93717 7.788600 17.72951 7.984512 1.207659       11.15413 
1 1 1 -15 21 43 o 34.93157 5.887663 66.47972       19.41605 84.61869       25.98307 43.54369       29.21752 38.65281 7.130195 26.82941 9.213575 11.82340       11.65031 
1 1 1 -15 21 44 o 25.65687 7.232250 37.99699       18.93976 47.48530       25.12329 25.50512       28.82674 28.06283 8.452793 22.62550 8.892975 5.437334       12.26926 
1 1 1 -15 21 45 o 22.91516 7.403460 29.92278       18.91934 37.44934       25.36155 20.47873       28.40903 25.16507 8.585719 21.48826 8.699268 3.676804       12.22260 
1 1 1 -15 21 46 o 22.46180 7.519535 28.55030       19.45139 23.58571       26.19978 34.64753       29.03502 21.77934 8.502331 24.53807 9.096468 -2.758734      12.45132 
1 1 1 -15 21 47 o 20.87738 7.810397 22.50790       21.50005 24.93138       25.68179 16.83000       39.30965 21.99227 8.463528 22.50316 9.731073 -0.5108910     12.89671 
1 1 1 -15 21 48 o 18.87638 7.439909 15.61508       20.22508 23.30000       28.32022 7.615840       28.89356 21.93355 8.752561 19.19357 8.321250 2.739986       12.07686 
1 1 1 -15 21 49 o 23.33958 7.966962 31.65371       21.83825 19.56000       25.59613 64.01000       41.86721 20.68825 8.298816 30.39175 10.97742 -9.703495      13.76133 
1 1 1 -15 21 50 f 39.35152 5.572408 84.21151       20.86427 79.44970       28.72112 89.53232       30.36014 36.09997 8.301544 38.37888 8.321974 -2.278912      11.75461 
1 1 1 -15 21 51 o 35.39243 6.046249 69.85423       20.19442 52.99592       27.89998 88.40569       29.26751 28.71844 8.956775 38.18382 8.082944 -9.465382      12.06473 
1 1 1 -15 21 52 o 36.31972 5.928473 73.68459       20.34978 95.63201       28.72290 51.56509       28.83529 39.96695 7.620166 27.95285 9.147896 12.01410       11.90592 
1 1 1 -15 22 1  o 55.77626 5.166609 155.0480       27.88672 78.52000       42.91063 211.0000       36.69123 38.64143 10.88378 64.99819 5.828889 -26.35676      12.34636 
1 1 1 -15 22 2  o 73.10842 4.057490 263.9938       28.92173 261.7359       39.17061 266.7000       42.88420 72.50442 5.561838 73.08023 6.049168 -0.5758133     8.217449 
1 1 1 -15 22 3  o 108.1741 3.216277 575.4413       34.01734 516.5970       51.45684 621.1223       45.33765 102.0979 5.165755 112.2173 4.134624 -10.11945      6.616656 
1 1 1 -15 22 4  f 58.61948 3.407192 169.4876       19.46565 161.7930       34.75479 173.0046       23.49690 56.71649 6.370355 59.12759 4.084999 -2.411095      7.567605 
1 1 1 -15 22 5  o 72.61027 3.343287 259.7045       23.69795 194.3380       39.65952 296.0042       29.55436 62.14938 6.621178 77.44060 3.911608 -15.29121      7.690298 
1 1 1 -15 22 6  o 38.54236 4.920319 74.56261       18.13986 -41.67000      53.67127 89.55227       19.27409 22.24791 10.31949 42.32950 4.732743 -20.08159      11.35301 
1 1 1 -15 22 7  o 102.7441 4.155867 521.1732       41.70878 0.000000       0.000000 521.1732       41.70878 ?        ?        102.7441 4.155867 ?              ?        
1 1 1 -15 22 8  o 141.7428 3.977003 990.6817       55.12310 993.1000       99.79012 989.6198       66.12771 140.6951 7.270730 141.4313 4.783626 -0.7361755     8.703251 
1 1 1 -15 22 9  o 15.47254 6.187964 6.009889       14.18697 -5.885080      27.27887 10.42000       16.61000 18.14927 7.972189 17.64621 6.802432 0.5030594      10.47993 
1 1 1 -15 22 10 o 94.24107 3.142681 437.1377       28.94935 405.9239       44.51106 460.0208       38.11110 90.40231 5.050240 96.50231 4.043626 -6.099998      6.469608 
1 1 1 -15 22 11 o 61.20753 3.378372 184.9174       20.16187 149.0289       33.52716 205.2482       25.23455 54.28425 6.434828 64.38428 4.024265 -10.10003      7.589581 
1 1 1 -15 22 12 o 77.32737 3.156551 294.6051       23.84176 306.8020       39.26697 287.4830       30.00582 78.49079 5.139228 76.22413 4.036058 2.266663       6.534633 
1 1 1 -15 22 13 o 43.97667 3.934291 96.17162       16.75667 60.59591       29.28617 113.4870       20.43160 33.87315 8.766034 47.70786 4.425739 -13.83471      9.819904 
1 1 1 -15 22 14 o 123.7337 3.336382 754.5269       40.37136 774.8130       61.81565 739.4387       53.31117 124.8245 5.069874 122.1543 4.466168 2.670204       6.756499 
1 1 1 -15 22 15 o 116.0834 3.268153 664.1761       37.09765 705.7955       57.79105 635.0057       48.38200 119.1250 4.967129 113.1876 4.375195 5.937386       6.619267 
1 1 1 -15 22 16 o 49.76707 3.689496 122.8928       17.84496 124.4809       29.77920 122.0031       22.29038 49.46135 6.293238 49.38470 4.666595 0.7665253E-01  7.834664 
1 1 1 -15 22 17 o 64.84277 3.352543 207.8554       21.20630 227.0016       34.70413 196.4461       26.78970 67.27884 5.312922 62.80828 4.385118 4.470554       6.888860 
1 1 1 -15 22 18 o 55.69427 3.644966 153.8768       19.76137 136.0912       31.45136 165.4783       25.40157 51.64264 6.355844 57.55541 4.545756 -5.912777      7.814132 
1 1 1 -15 22 19 o 30.43656 6.165172 48.20700       17.73703 70.74726       26.89589 30.86000       23.59493 36.56667 7.755140 24.92380 8.280391 11.64287       11.34491 
1 1 1 -15 22 20 o 49.47475 4.009048 122.0816       19.24852 55.75044       29.32895 172.2695       25.51157 32.22281 8.969999 58.70359 4.473519 -26.48079      10.02363 
1 1 1 -15 22 21 o 63.00523 3.821565 197.3394       23.45725 179.6000       39.91494 206.6984       28.99204 59.00285 7.050636 64.25484 4.640908 -5.251995      8.440942 
1 1 1 -15 22 22 o 73.59885 3.667873 268.8772       26.34031 236.8000       43.39776 287.5864       33.14333 67.98621 6.604516 75.86378 4.483283 -7.877571      7.982447 
1 1 1 -15 22 23 o 107.4482 3.659832 572.6810       38.43547 592.0000       66.55563 563.0143       47.07951 107.8317 6.333574 106.1551 4.541398 1.676567       7.793488 
1 1 1 -15 22 24 o 58.94498 4.713837 174.7477       26.97093 165.2000       62.73424 176.9126       29.87260 53.48813 12.24690 59.13578 5.214146 -5.647648      13.31067 
1 1 1 -15 22 25 o 73.41987 4.217505 269.3740       30.18173 270.5000       67.57104 269.0934       33.73389 70.32542 10.10607 73.18642 4.734416 -2.860992      11.16008 
1 1 1 -15 22 26 o 75.39123 4.156582 284.0763       30.55480 229.1000       66.59422 298.7357       34.38808 63.81833 11.06132 77.15035 4.574225 -13.33202      11.96981 
1 1 1 -15 22 27 o 52.75328 4.042702 139.4656       20.71599 108.8202       30.02319 167.3148       28.62077 45.49486 6.963170 57.41072 5.147679 -11.91586      8.659349 
1 1 1 -15 22 28 o 79.17815 3.381218 311.5010       26.14470 302.6590       38.63369 318.9717       35.51167 77.29135 5.135698 79.63172 4.575207 -2.340370      6.878075 
1 1 1 -15 22 29 o 33.93307 5.799391 60.21886       18.57102 22.07236       26.55661 96.72591       25.97967 22.71308 8.639684 42.95501 6.371789 -20.24193      10.73517 
1 1 1 -15 22 30 o 40.23677 5.158543 83.36365       19.85007 82.48502       27.96538 84.25583       28.18034 38.96279 7.605768 39.40014 7.582238 -0.4373512     10.73956 
1 1 1 -15 22 31 o 39.06493 5.195771 78.94721       19.37532 74.46053       27.41902 83.42202       27.38270 36.72978 7.863750 39.16060 7.415087 -2.430820      10.80843 
1 1 1 -15 22 32 f 23.38713 7.186835 29.50371       18.03968 37.30749       25.33222 21.47444       25.69558 26.09933 8.576087 22.10009 8.475847 3.999243       12.05775 
1 1 1 -15 22 33 o 27.25411 6.936533 40.89257       18.54852 67.89285       26.49511 14.94049       25.97573 34.75416 7.960033 20.64721 8.332853 14.10695       11.52383 
1 1 1 -15 22 34 o 41.27835 4.958061 88.26991       19.63225 72.95349       26.62978 106.5058       29.05715 36.08337 7.769672 44.32228 6.924026 -8.238903      10.40721 
1 1 1 -15 22 35 o 52.23843 4.646663 140.1317       23.51183 156.8484       29.21485 109.4000       39.61158 54.77341 5.524549 42.91348 9.663477 11.85993       11.13119 
1 1 1 -15 22 36 o 34.13245 5.893951 62.40676       18.97991 48.57840       25.38638 79.93295       28.57980 28.98433 8.438624 37.48613 8.030768 -8.501799      11.64919 
1 1 1 -15 22 37 f 41.79530 5.327894 91.75805       21.30178 104.6000       31.43246 80.85039       28.96868 43.16885 7.722296 37.58792 8.111844 5.580933       11.19982 
1 1 1 -15 22 38 o 16.03005 6.727363 5.137640       17.82333 1.274582       23.06256 10.86650       28.08509 16.97100 7.395148 20.03193 8.428120 -3.060928      11.21256 
1 1 1 -15 22 39 o 26.94860 7.064350 41.05796       18.85799 47.12137       24.37771 32.02253       29.75834 28.36418 8.272484 24.48340 9.182719 3.880781       12.35946 
1 1 1 -15 22 40 o 18.63544 7.110963 15.52531       18.02590 4.004350       22.92907 34.16759       29.16699 17.33724 7.464124 24.84433 9.133522 -7.507090      11.79552 
1 1 1 -15 22 41 o 17.96817 7.023521 13.46546       17.89727 20.81488       22.89887 1.928281       28.69044 20.82483 7.997601 18.47556 8.143442 2.349272       11.41391 
1 1 1 -15 22 42 o 39.91684 5.206102 84.65916       19.85688 96.98763       26.68176 69.35453       29.72838 41.70611 6.767718 33.63756 8.894561 8.068554       11.17655 
1 1 1 -15 22 43 o 21.07292 7.190443 24.29282       17.78836 12.77772       23.08038 41.14001       27.91726 18.93533 7.774592 26.16404 9.005447 -7.228714      11.89716 
1 1 1 -15 22 44 o 20.21913 7.197218 21.59988       17.92570 14.14588       23.28593 32.44263       28.08461 19.24766 7.844922 24.01374 8.937945 -4.766087      11.89242 
1 1 1 -15 22 45 o 28.71172 6.878006 47.20124       19.07563 55.30973       25.10333 36.12147       29.34449 30.26321 8.249884 24.88812 9.159287 5.375090       12.32693 
1 1 1 -15 22 46 o 30.45908 7.244231 53.84740       21.28143 53.62291       25.30366 54.39000       39.33933 29.68974 8.356094 28.81125 10.60469 0.8784943      13.50125 
1 1 1 -15 22 47 o 24.69201 7.649767 35.80212       20.38913 42.27000       29.28962 29.72112       28.40013 26.25948 9.213243 23.30471 8.917537 2.954763       12.82210 
1 1 1 -15 22 48 o 28.14870 7.028062 46.02216       19.30374 45.31630       25.92109 46.90106       28.92439 27.08458 8.657745 27.31154 9.169878 -0.2269688     12.61123 
1 1 1 -15 22 49 o 17.00520 7.090550 8.602581       19.60779 10.39000       28.29119 6.950363       27.20018 19.39494 8.319654 18.58565 8.065617 0.8092937      11.58753 
1 1 1 -15 22 50 o 17.57809 7.268815 10.69447       20.36572 5.609477       24.90811 20.95000       35.37323 17.71147 7.701983 22.12487 9.390818 -4.413406      12.14529 
1 1 1 -15 22 51 o 26.11556 7.913333 42.10445       21.97227 49.39838       25.79500 22.82000       41.94291 27.78651 8.603626 22.91417 9.979080 4.872341       13.17590 
1 1 1 -15 22 52 o 29.46036 8.554112 56.11895       26.11762 56.11895       26.11762 0.000000       0.000000 29.46036 8.554112 ?        ?        ?              ?        
1 1 1 -15 23 1  f 97.14436 3.164300 464.4643       30.04842 482.4398       49.69952 454.1076       37.72425 98.55280 5.170096 95.88702 4.028311 2.665771       6.554173 
1 1 1 -15 23 2  o 86.48189 3.936169 369.3932       33.23265 395.8804       45.56836 339.3000       48.57137 89.22807 5.240490 82.35671 6.067857 6.871361       8.017582 
1 1 1 -15 23 3  o 168.6672 5.574949 1413.849       91.91376 1389.000       135.5482 1435.000       125.0562 165.5933 8.390005 168.8379 7.586470 -3.244583      11.31135 
1 1 1 -15 23 4  o 62.83330 3.476916 194.9019       21.30069 212.4782       37.89167 186.7815       25.75542 65.07612 6.016720 61.36197 4.315605 3.714149       7.404415 
1 1 1 -15 23 5  o 20.77053 6.260455 21.71243       13.77790 -12.62517      30.82211 30.28724       15.40243 18.39081 8.251681 24.20964 6.402575 -5.818834      10.44429 
1 1 1 -15 23 6  o 36.67033 4.511056 67.43343       15.85113 26.16008       31.89127 80.97527       18.26736 25.46717 9.515436 40.18877 4.734450 -14.72160      10.62820 
1 1 1 -15 23 7  o 27.90332 6.046206 40.24518       16.03578 -10.24000      53.97562 45.13260       16.79405 25.23271 11.14366 29.59031 6.003771 -4.357599      12.65806 
1 1 1 -15 23 8  o 11.93102 5.364278 -6.186037      13.10018 21.55000       52.95245 -7.994276      13.52047 28.94546 11.81773 11.80183 5.363716 17.14363       12.97799 
1 1 1 -15 23 9  o 56.48543 4.246248 158.5081       23.30542 0.000000       0.000000 158.5081       23.30542 ?        ?        56.48543 4.246248 ?              ?        
1 1 1 -15 23 10 o 71.04300 3.716684 249.5577       25.75550 231.8327       37.68095 265.1000       35.28459 67.98922 5.714923 72.94026 4.971823 -4.951042      7.574918 
1 1 1 -15 23 11 o 95.50161 3.231899 449.5560       30.16814 498.5819       48.54747 418.7148       38.50524 100.1061 4.970040 91.91338 4.291762 8.192741       6.566622 
1 1 1 -15 23 12 o 12.94862 5.581158 -0.9821053     12.84828 -30.52743      27.28614 7.434921       14.56388 14.89739 7.050586 15.98887 6.309797 -1.091477      9.461728 
1 1 1 -15 23 13 o 76.68609 3.207685 290.1432       24.02451 287.1283       39.92164 291.8551       30.08128 75.72507 5.421831 76.73768 4.018812 -1.012611      6.748859 
1 1 1 -15 23 14 o 23.55484 6.087457 28.84327       14.13603 57.25937       28.62630 19.67935       16.25637 32.81141 8.752189 20.35459 6.874692 12.45682       11.12934 
1 1 1 -15 23 15 o 55.15340 3.584123 150.8103       19.24433 135.5270       33.00052 158.6858       23.68933 51.43592 6.714791 56.42001 4.322483 -4.984081      7.985755 
1 1 1 -15 23 16 o 56.01809 3.577858 155.6377       19.51558 161.3832       33.80918 152.7668       23.89907 56.30949 6.238577 55.29664 4.453088 1.012848       7.664845 
1 1 1 -15 23 17 o 20.19729 6.936420 19.19390       16.55997 32.99775       27.21715 11.08000       20.86689 25.97178 8.893421 19.04883 7.541641 6.922958       11.66059 
1 1 1 -15 23 18 o 30.88790 6.142447 49.66696       17.91707 45.16644       28.02004 52.78000       23.30395 29.27243 8.949693 31.51176 7.636193 -2.239328      11.76471 
1 1 1 -15 23 19 o 55.10088 3.729145 150.9898       19.99438 190.0643       33.80302 129.9619       24.79747 61.24247 5.704534 50.75309 5.058896 10.48937       7.624574 
1 1 1 -15 23 20 o 39.23232 4.757410 77.87588       17.89641 78.34113       29.00281 77.58980       22.74241 38.31865 7.991660 38.73100 6.208576 -0.4123459     10.11993 
1 1 1 -15 23 21 o 20.35426 7.151889 19.20506       17.65382 21.44000       30.42946 18.07119       21.67427 23.69956 9.187954 20.94075 7.840367 2.758806       12.07849 
1 1 1 -15 23 22 o 66.55228 3.623644 220.1447       23.51653 215.7205       37.09480 223.1176       30.40795 65.07109 5.887605 66.66028 4.690237 -1.589188      7.527431 
1 1 1 -15 23 23 o 38.69173 5.143598 76.41304       18.99800 81.64511       29.06464 72.51006       25.10307 39.04396 7.877108 36.98995 7.192324 2.054008       10.66669 
1 1 1 -15 23 24 f 87.00215 4.044107 377.5233       34.34544 321.2000       72.92805 393.5758       38.93334 76.72602 9.944285 88.63948 4.502077 -11.91346      10.91593 
1 1 1 -15 23 25 o 104.9760 3.352740 546.5865       34.40638 509.7924       50.12448 579.3689       47.31310 100.4964 5.112368 107.5114 4.505932 -7.014923      6.814670 
1 1 1 -15 23 26 o 39.97436 5.053731 81.67463       19.33307 88.90105       29.36230 76.14406       25.68700 40.71134 7.649093 37.78630 7.207952 2.925037       10.51015 
1 1 1 -15 23 27 o 76.05234 4.201201 290.0392       31.15313 153.3000       63.53907 333.3130       35.74433 50.17808 12.87418 81.40070 4.503694 -31.22263      13.63920 
1 1 1 -15 23 28 o 54.46811 4.111087 149.2891       21.75641 82.43050       30.52393 218.3318       31.01847 38.66764 8.312106 65.58848 4.866217 -26.92083      9.631780 
1 1 1 -15 23 29 f 37.13836 5.491627 71.75880       19.36206 62.56150       27.37422 80.96667       27.38996 33.46777 8.376720 38.58257 7.522959 -5.114799      11.25897 
1 1 1 -15 23 30 o 48.31547 4.507982 118.8304       21.07332 111.8849       30.31234 125.3272       29.31693 45.67304 7.003427 48.77946 6.286079 -3.106419      9.410780 
1 1 1 -15 23 31 o 41.73140 6.007191 92.02436       23.83208 103.9245       28.77815 66.05000       42.51671 43.88811 6.928634 33.09707 11.11766 10.79103       13.09993 
1 1 1 -15 23 32 o 49.19127 5.345353 125.7356       25.32442 130.6000       57.68613 124.5743       28.18568 44.62803 12.63629 48.57067 6.060017 -3.942646      14.01426 
1 1 1 -15 23 33 o 26.37613 7.354301 38.78960       19.69768 48.92110       24.14724 18.64000       34.05368 29.30165 8.132498 22.90308 9.427886 6.398577       12.45081 
1 1 1 -15 23 34 o 15.59794 6.694580 1.909391       18.33721 -0.3836281     22.36154 6.617000       32.04041 16.56500 7.248729 20.43613 8.811040 -3.871132      11.40958 
1 1 1 -15 23 35 o 24.10713 6.905688 32.16871       17.12951 39.16759       23.51283 24.25293       25.00561 26.26496 8.227101 22.34576 8.409777 3.919205       11.76476 
1 1 1 -15 23 36 o 25.64055 7.149650 36.85839       18.61603 21.51000       26.05935 52.85403       26.60315 21.82209 8.490768 30.03802 8.606422 -8.215937      12.08982 
1 1 1 -15 23 37 o 46.38871 4.583128 111.1895       20.53877 118.5789       28.53068 103.2407       29.59073 46.80989 6.393791 43.04295 7.282882 3.766941       9.691281 
1 1 1 -15 23 38 o 15.30568 6.567085 2.332546       17.63511 -22.81632      22.76246 40.09212       27.89160 13.41782 6.376282 26.28052 9.002826 -12.86270      11.03213 
1 1 1 -15 23 39 o 25.28603 7.191884 36.34435       18.64390 43.53198       24.29377 26.04566       29.07991 27.21862 8.335602 23.01900 8.965716 4.199614       12.24199 
1 1 1 -15 23 40 o 36.40150 5.650255 71.39952       19.47993 74.91208       25.61707 66.58354       29.99578 36.12374 7.490880 32.92597 9.035248 3.197769       11.73665 
1 1 1 -15 23 41 o 29.44189 6.694289 48.98071       18.85402 54.42755       24.76027 41.46430       29.08631 30.18395 8.178768 26.29723 9.184479 3.886724       12.29825 
1 1 1 -15 23 42 o 14.33858 6.316113 -1.054443      17.23442 10.62634       22.53486 -17.51353      26.74987 18.34225 7.620901 15.25334 7.144545 3.088901       10.44618 
1 1 1 -15 23 43 o 12.65214 5.842739 -9.934291      16.92583 -2.301086      21.78172 -21.56866      26.89120 15.71307 7.001368 14.84511 7.017938 0.8679552      9.913153 
1 1 1 -15 23 44 o 18.21071 7.278074 13.31684       19.61218 6.532104       22.28941 36.58000       41.27305 17.41914 7.426087 25.69670 10.45511 -8.277555      12.82405 
1 1 1 -15 23 45 o 31.97542 7.115387 58.95963       21.69611 66.11421       24.58819 33.80000       46.10908 33.52172 7.661397 25.57624 10.78208 7.945478       13.22688 
1 1 1 -15 23 46 o 48.16359 5.702111 125.4600       26.36113 118.8000       32.31821 138.7000       45.56717 45.32645 7.549760 46.02385 10.36496 -0.6973991     12.82307 
1 1 1 -15 23 47 o 20.13000 7.541085 20.82960       20.05704 19.67425       22.99813 24.50000       40.99144 20.27371 7.950816 23.58503 10.06316 -3.311316      12.82508 
1 1 1 -15 23 48 o 33.68379 6.715674 64.62722       21.36477 51.40384       24.55711 105.8000       43.33222 28.95483 8.260098 39.00521 10.91968 -10.05039      13.69192 
1 1 1 -15 23 49 o 34.21119 6.594103 66.73369       21.28100 54.60110       24.40744 105.2000       43.45961 29.76744 8.142917 38.42714 10.99701 -8.659698      13.68361 
1 1 1 -15 23 50 o 33.04453 11.28202 82.74000       43.79354 0.000000       0.000000 82.74000       43.79354 ?        ?        33.04453 11.28202 ?              ?        
1 1 1 -15 23 51 o 24.04387 10.58805 28.70000       48.39722 28.70000       48.39722 0.000000       0.000000 24.04387 10.58805 ?        ?        ?              ?        
1 1 1 -15 24 1  o 78.85784 4.447511 308.5935       34.19041 425.1000       70.00713 272.1000       39.18095 91.33635 7.908399 73.76868 5.465024 17.56767       9.612973 
1 1 1 -15 24 2  o 66.05335 4.537827 216.9361       29.16100 169.5000       52.33065 238.3000       35.11900 56.68862 9.784429 69.07048 5.233442 -12.38186      11.09612 
1 1 1 -15 24 3  o 141.8713 5.155240 1000.862       71.47053 986.6000       107.9316 1012.000       95.37773 139.3565 7.945457 141.7844 6.893117 -2.427933      10.51881 
1 1 1 -15 24 4  o 68.86354 4.397332 235.5318       29.48558 190.2337       39.13614 295.0000       44.84156 61.26283 6.632044 76.63771 6.026114 -15.37488      8.960918 
1 1 1 -15 24 5  o 74.14563 4.262486 272.7196       30.80496 274.2443       41.76245 270.9000       45.62263 73.92969 5.817981 73.27822 6.425579 0.6514664      8.668158 
1 1 1 -15 24 6  o 33.50045 4.872114 56.79422       15.50833 56.16415       32.61611 56.97829       17.62859 32.64989 9.581668 33.39134 5.591075 -0.7414436     11.09362 
1 1 1 -15 24 7  o 27.58243 5.761137 39.32246       15.05168 3.847887       31.48676 49.83006       17.13646 20.99263 8.882851 31.11587 5.840888 -10.12324      10.63113 
1 1 1 -15 24 8  o 23.54853 6.358606 28.74089       14.99714 42.06000       54.55331 27.65201       15.59813 32.08548 12.33853 23.15990 6.575282 8.925587       13.98119 
1 1 1 -15 24 9  o 82.17843 3.718468 334.0238       29.83331 258.1000       67.57439 352.4050       33.24909 69.81286 10.18893 84.33488 4.039530 -14.52202      10.96047 
1 1 1 -15 24 10 o 50.75053 4.279853 128.4129       21.06264 44.44000       57.20298 141.5834       22.65426 32.73572 12.62258 53.28367 4.382294 -20.54795      13.36166 
1 1 1 -15 24 11 f 74.28761 3.491848 272.8937       25.31983 238.0000       49.98423 284.9380       29.36630 68.03622 7.637327 75.79972 3.971856 -7.763504      8.608391 
1 1 1 -15 24 12 o 34.53863 5.111482 60.65752       16.75951 78.68764       30.62586 52.95000       20.02379 38.48658 8.368692 31.85034 6.638367 6.636248       10.68190 
1 1 1 -15 24 13 o 28.42170 5.515668 41.71927       14.79098 44.15551       29.91674 40.93111       17.01615 29.19243 9.297796 27.97521 6.358809 1.217224       11.26426 
1 1 1 -15 24 14 o 83.11578 3.245270 341.3555       26.35149 296.4809       41.93697 370.6336       33.87416 76.70966 5.624321 86.39626 4.016590 -9.686600      6.911294 
1 1 1 -15 24 15 o 119.3056 3.337628 703.3501       38.93838 732.7603       60.38458 682.4161       50.94528 121.0054 5.109679 117.0789 4.453604 3.926506       6.778156 
1 1 1 -15 24 16 o 54.10276 4.118075 146.0646       21.64437 142.8003       33.95017 148.3000       28.09414 52.65910 6.741003 54.15929 5.370163 -1.500191      8.618571 
1 1 1 -15 24 17 o 55.23140 4.179292 152.3623       22.42642 174.2142       34.39391 136.2000       29.57931 58.44781 6.101600 51.66064 5.958593 6.787163       8.528444 
1 1 1 -15 24 18 o 124.1537 3.950386 765.7108       47.94598 654.6000       91.35145 807.9555       56.32794 111.8993 8.401650 127.2414 4.529839 -15.34203      9.545008 
1 1 1 -15 24 19 o 43.89836 4.633941 97.20744       19.61142 118.1000       38.22208 89.74177       22.84824 46.90286 8.643865 41.83088 5.730687 5.071983       10.37098 
1 1 1 -15 24 20 o 20.44810 7.100918 19.75732       17.37318 19.02000       32.99227 20.04022       20.43606 23.72461 9.453701 21.16473 7.666016 2.559879       12.17129 
1 1 1 -15 24 21 o 62.59019 3.657470 194.9583       22.30985 215.1752       36.21324 182.5914       28.32306 64.99950 5.751101 60.18753 4.848588 4.811970       7.522232 
1 1 1 -15 24 22 f 80.72555 3.410319 323.3534       26.88640 312.0248       42.15829 331.1197       34.90633 78.43097 5.526867 81.32404 4.401499 -2.893066      7.065370 
1 1 1 -15 24 23 o 26.83993 6.927456 38.47377       18.32248 46.55945       28.42205 32.72399       23.96750 29.33645 9.021991 25.21658 8.344409 4.119873       12.28924 
1 1 1 -15 24 24 o 49.47279 4.307965 123.2100       20.65364 123.2077       31.28442 123.2118       27.49788 48.51721 6.771825 48.90939 5.860362 -0.3921814     8.955526 
1 1 1 -15 24 25 f 52.51920 4.128220 138.5568       21.05156 164.5900       32.64876 120.0315       27.54140 56.50606 5.994226 48.18227 5.967150 8.323788       8.457991 
1 1 1 -15 24 26 o 69.76276 3.618331 242.8803       24.62360 251.2932       37.76371 236.6581       32.47719 70.06524 5.551726 68.32057 4.888782 1.744667       7.397422 
1 1 1 -15 24 27 o 38.87438 5.329201 78.15324       19.74512 39.61245       27.54959 118.8616       28.31371 27.10012 8.945394 47.66684 6.216362 -20.56672      10.89326 
1 1 1 -15 24 28 o 32.51217 6.165987 56.25151       18.90472 75.04454       26.85009 37.77645       26.62198 36.97350 7.670720 26.43393 8.795912 10.53957       11.67082 
1 1 1 -15 24 29 o 33.90062 5.899896 60.89099       18.86682 72.70078       27.00216 49.62563       26.37241 36.17322 7.851914 29.61499 8.594778 6.558229       11.64142 
1 1 1 -15 24 30 o 19.66523 7.594388 15.95370       20.72957 17.88606       24.77258 11.44000       37.86108 21.01865 8.249192 22.62489 9.662889 -1.606237      12.70514 
1 1 1 -15 24 31 o 36.35288 5.524904 69.59167       19.04140 70.85188       27.73602 68.46823       26.18782 35.33047 8.181520 34.89225 7.857320 0.4382172      11.34349 
1 1 1 -15 24 32 o 19.26969 7.355692 16.02074       19.29258 29.71615       24.53714 -6.155000      31.22305 23.75522 8.424102 18.41597 8.280611 5.339249       11.81245 
1 1 1 -15 24 33 o 32.55214 6.054476 57.10029       18.58150 71.39644       25.89294 41.92046       26.68121 35.61477 7.655472 27.07702 8.795445 8.537748       11.66045 
1 1 1 -15 24 34 o 36.31903 5.296523 69.47757       18.27514 49.73646       25.64148 89.85796       26.05334 29.25964 8.469871 40.53792 6.806945 -11.27828      10.86615 
1 1 1 -15 24 35 o 17.80730 6.957917 12.53284       17.55886 10.06000       25.89231 14.63838       23.89207 19.40168 8.123105 19.85500 7.999251 -0.4533215     11.40056 
1 1 1 -15 24 36 o 23.36328 7.162143 30.42726       17.92949 46.22712       24.72980 12.91884       26.03259 28.11430 8.367342 19.91050 8.224256 8.203794       11.73247 
1 1 1 -15 24 37 o 12.95081 5.941592 -9.114094      17.10543 -16.53775      22.94176 0.1793051      25.66876 14.21358 6.644182 17.49153 7.706473 -3.277947      10.17521 
1 1 1 -15 24 38 o 16.13005 6.750207 5.890081       17.86719 23.98104       23.17532 -20.61926      28.05397 21.72932 8.113037 15.44763 7.261211 6.281697       10.88791 
1 1 1 -15 24 39 o 55.08204 4.745197 158.1731       25.33496 179.7245       30.13334 106.2000       46.79484 58.27223 5.342376 39.29858 11.46139 18.97365       12.64533 
1 1 1 -15 24 40 o 15.93166 6.873786 2.847593       19.52687 3.826638       22.50740 -0.1321000     39.26537 17.03427 7.364732 20.47784 9.239920 -3.443571      11.81590 
1 1 1 -15 24 41 o 15.72814 6.824723 2.058205       19.46970 17.65035       22.44948 -45.26000      39.10816 19.85750 7.834731 16.25934 7.886079 3.598158       11.11635 
1 1 1 -15 24 42 o 26.48778 7.603091 41.21631       20.74374 43.96088       24.04153 33.22000       41.03651 27.03914 8.294391 25.20503 10.35971 1.834114       13.27104 
1 1 1 -15 24 43 o 58.04776 5.390913 179.7313       30.28046 179.7313       30.28046 0.000000       0.000000 58.04776 5.390913 ?        ?        ?              ?        
1 1 1 -15 24 44 o 20.08862 7.388697 20.92925       19.09129 24.26241       21.54876 8.765000       41.16579 21.30237 7.847320 21.66948 9.642120 -0.3671055     12.43185 
1 1 1 -15 24 45 o 16.77064 7.199354 4.991518       21.21476 4.840000       24.97627 5.384000       40.19811 17.76977 7.720068 21.07579 9.442495 -3.306023      12.19673 
1 1 1 -15 24 46 o 37.02623 6.970942 78.53136       24.33753 105.1000       52.09953 71.11539       27.52536 36.93035 12.30531 34.13421 8.316041 2.796135       14.85184 
1 1 1 -15 24 47 o 23.48893 9.304240 29.99051       31.77551 86.55000       51.16503 -5.520000      40.54142 33.58456 12.13466 19.80710 9.109161 13.77745       15.17323 
1 1 1 -15 24 48 o 25.84203 7.254138 39.62507       19.09605 39.90983       21.54115 38.58000       41.26692 25.65089 7.847972 25.43013 10.41341 0.2207527      13.03955 
1 1 1 -15 24 49 o 13.73047 6.125142 -2.181721      16.72170 -4.662656      18.38785 9.677000       40.20149 13.91242 6.295928 21.08287 9.444489 -7.170450      11.35064 
1 1 1 -15 24 50 o 16.64251 6.694786 11.11563       16.70760 11.16204       18.34565 10.89000       40.45006 17.04874 6.957719 21.11142 9.464209 -4.062687      11.74654 
1 1 1 -15 25 1  o 55.80705 3.463817 154.1835       18.82800 158.3000       59.24838 153.7211       19.85732 53.71489 11.60800 55.68543 3.663463 -1.970543      12.17238 
1 1 1 -15 25 2  o 85.77959 3.595613 363.7615       30.12305 389.3000       70.44274 358.0464       33.32357 86.87684 8.387914 84.99641 4.016754 1.880432       9.300076 
1 1 1 -15 25 3  o 51.11907 3.716132 129.7087       18.46734 138.1132       35.50883 126.5926       21.62150 51.80986 7.195911 50.34885 4.432430 1.461010       8.451484 
1 1 1 -15 25 4  o 29.79122 7.772429 46.81536       22.89927 25.18819       31.80293 70.10000       32.99910 25.04652 9.471369 36.15474 9.278798 -11.10822      13.25907 
1 1 1 -15 25 5  o 129.1611 4.151083 826.7843       52.41249 816.0795       66.97388 843.7000       84.19019 127.7881 5.366319 129.2091 6.679422 -1.420944      8.568084 
1 1 1 -15 25 6  o 100.5533 4.046612 501.1942       39.74717 494.8783       51.84410 510.2000       61.90714 99.44956 5.345510 100.5472 6.322203 -1.097672      8.279174 
1 1 1 -15 25 7  o 86.02975 3.278985 365.4731       27.56123 316.1967       44.26788 396.6654       35.22024 79.27191 5.744063 89.42973 4.033885 -10.15782      7.019009 
1 1 1 -15 25 8  o 48.82447 3.873132 118.6464       18.35842 103.6923       35.77517 123.9920       21.38947 44.21515 8.575689 49.79254 4.434999 -5.577385      9.654619 
1 1 1 -15 25 9  o 59.23014 3.892307 174.3620       22.44102 140.0000       59.92755 179.9664       24.20197 49.81629 12.35146 60.11936 4.137969 -10.30307      13.02618 
1 1 1 -15 25 10 o 47.24270 4.246615 111.6033       19.42806 124.0000       57.35876 109.9968       20.64859 46.79412 12.34616 46.82214 4.563230 -0.2802277E-01 13.16247 
1 1 1 -15 25 11 o 30.36711 5.688554 47.68189       16.28756 3.792000       54.73803 51.94533       17.06031 26.48837 11.46869 31.72404 5.703713 -5.235664      12.80872 
1 1 1 -15 25 12 o 56.19633 3.576615 156.7723       19.57162 154.3869       35.70902 157.7966       23.39922 54.77435 6.806727 56.20901 4.285239 -1.434669      8.043309 
1 1 1 -15 25 13 o 48.60712 4.096516 118.0442       19.30916 90.43000       40.12206 126.3678       22.02790 40.52922 10.13972 50.19125 4.532516 -9.662022      11.10665 
1 1 1 -15 25 14 o 58.49959 4.072820 170.6706       23.17573 134.5527       35.77081 196.8000       30.42515 50.78682 7.414223 62.55010 5.011225 -11.76329      8.948915 
1 1 1 -15 25 15 o 129.2268 4.019856 829.8267       50.78563 840.5807       67.19513 815.5000       77.55779 129.3335 5.319223 126.7447 6.271050 2.588890       8.223151 
1 1 1 -15 25 16 o 94.57219 3.334144 442.7805       30.81584 437.1229       49.04618 446.4708       39.61063 93.10708 5.404895 94.61462 4.288226 -1.507538      6.899404 
1 1 1 -15 25 17 o 50.22886 3.960827 126.0764       19.31608 112.5546       34.19038 132.4156       23.41001 46.07339 7.863353 51.26732 4.717905 -5.193928      9.170112 
1 1 1 -15 25 18 o 49.05951 4.300256 120.8290       20.44157 158.4000       42.62231 109.6056       23.29555 54.59215 8.231982 46.43063 5.215902 8.161526       9.745316 
1 1 1 -15 25 19 o 26.68772 6.813242 37.86911       17.85680 1.375000       36.12521 49.66906       20.54183 21.52439 9.318202 30.53022 7.020609 -9.005827      11.66695 
1 1 1 -15 25 20 f 62.07332 3.711952 191.9692       22.45046 178.3472       36.87140 199.9949       28.30158 58.75140 6.521301 63.06198 4.616971 -4.310574      7.990230 
1 1 1 -15 25 21 o 52.19978 4.129542 136.6733       20.92795 135.1539       34.16870 137.5855       26.47501 50.76033 7.068458 51.98288 5.276201 -1.222546      8.820510 
1 1 1 -15 25 22 o 40.91136 5.725355 86.46047       22.30041 114.0316       32.44440 61.77000       30.70272 46.35440 7.399228 33.36161 9.135607 12.99279       11.75618 
1 1 1 -15 25 23 o 55.41355 4.087426 154.0833       22.01429 174.9130       34.90913 140.3306       28.36548 58.15367 6.229725 52.29171 5.630427 5.861954       8.397095 
1 1 1 -15 25 24 o 41.45525 5.126205 88.12169       20.35814 89.13236       31.75061 87.41609       26.52931 40.31380 8.322153 40.55939 6.931117 -0.2455902     10.83045 
1 1 1 -15 25 25 o 49.53560 4.450942 124.2997       21.35135 141.5981       33.34256 112.2756       27.79862 51.83253 6.730685 46.28567 6.299094 5.546864       9.218497 
1 1 1 -15 25 26 o 47.17242 5.682693 115.5315       25.71115 80.70545       31.73997 182.0000       43.84931 37.86907 8.740087 57.93130 7.941739 -20.06223      11.80933 
1 1 1 -15 25 27 o 33.32109 6.430628 59.54768       20.21411 17.60286       29.42584 97.02908       27.81618 22.08115 8.883982 42.49634 6.925399 -20.41518      11.26438 
1 1 1 -15 25 28 o 54.14054 5.066258 150.9913       26.53644 132.8048       32.21201 189.4000       46.81206 49.78591 6.786561 58.30864 8.447775 -8.522732      10.83616 
1 1 1 -15 25 29 o 16.55927 7.251068 -0.8746920     22.40908 -24.79000      52.73801 4.394631       24.75501 21.70096 10.12091 18.24148 7.802681 3.459480       12.77946 
1 1 1 -15 25 30 o 9.502439 4.723628 -39.93871      17.09093 -54.63385      23.77663 -24.22861      24.58402 11.16664 5.554309 14.07854 6.671694 -2.911903      8.681120 
1 1 1 -15 25 31 o 12.13300 5.780551 -21.38924      18.95214 -18.78833      24.38145 -25.36000      30.12542 14.59022 6.829738 15.80640 7.458953 -1.216180      10.11342 
1 1 1 -15 25 32 o 15.92889 6.606328 5.827782       16.89135 7.760942       24.21381 3.995284       23.57496 18.58694 7.823265 17.69575 7.592755 0.8911839      10.90199 
1 1 1 -15 25 33 o 58.41379 4.125090 173.7949       23.43435 189.1000       37.44107 163.9374       30.04775 59.24131 6.566967 55.84106 5.571627 3.400257       8.612090 
1 1 1 -15 25 34 o 39.50925 5.318539 82.31548       20.04632 71.08000       31.20597 90.20947       26.15715 34.43059 9.116972 40.49664 6.842316 -6.066051      11.39897 
1 1 1 -15 25 35 o 24.67327 7.066181 34.25412       17.93703 53.26793       26.01994 17.03640       24.76049 30.03767 8.480356 20.46868 8.178660 9.568993       11.78164 
1 1 1 -15 25 36 o 11.65933 5.535833 -17.91001      17.08398 -32.28647      23.28293 -1.141800      25.14519 12.62856 6.115521 17.10907 7.578571 -4.480512      9.738293 
1 1 1 -15 25 37 o 12.54781 5.946458 -19.03765      19.53239 -7.543840      22.47905 -54.46000      39.46252 15.22676 6.918628 15.86592 7.745863 -0.6391554     10.38585 
1 1 1 -15 25 38 o 30.41533 7.260483 53.29229       21.31504 68.59605       24.91546 11.52000       41.16365 34.38229 7.605217 22.27853 9.789327 12.10375       12.39638 
1 1 1 -15 25 39 o 31.96422 7.007534 58.33673       21.31900 65.08656       24.75197 38.94000       41.95926 33.31150 7.739279 26.25372 10.59241 7.057787       13.11852 
1 1 1 -15 25 40 o 20.04856 7.454682 20.37321       19.52744 15.29596       22.33276 36.86000       40.24354 19.27555 7.744977 25.69962 10.37190 -6.424070      12.94453 
1 1 1 -15 25 41 o 21.43384 7.632777 25.01235       20.16298 34.27621       23.36822 -1.980000      39.88873 24.23226 8.241899 20.28251 9.216003 3.949755       12.36380 
1 1 1 -15 25 42 o 22.33541 8.824642 25.12281       28.51662 53.42000       50.30003 11.72000       34.61740 28.58794 11.57475 20.96234 9.098056 7.625605       14.72241 
1 1 1 -15 25 43 o 46.97755 5.755475 119.7308       25.91314 78.50000       53.68174 132.2572       29.58878 32.28210 12.28263 48.92096 6.327151 -16.63886      13.81650 
1 1 1 -15 25 44 o 28.33606 7.631599 47.71882       21.63678 66.34000       25.19597 -4.580000      42.22536 33.37254 7.846180 20.31319 9.325179 13.05935       12.18694 
1 1 1 -15 25 45 o 24.28769 7.521972 34.81139       19.71550 44.96820       22.41506 0.9919000E-01  41.43835 27.26725 7.926738 20.55987 9.362011 6.707380       12.26705 
1 1 1 -15 25 46 o 17.89891 7.009943 14.10561       17.85666 16.68767       19.92745 3.583000       40.22810 18.98250 7.413743 20.71694 9.349726 -1.734436      11.93235 
1 1 1 -15 25 47 o 21.14692 6.926984 25.50683       16.53200 29.42867       18.07655 5.455000       40.87410 22.46749 7.234728 20.87253 9.421802 1.594954       11.87904 
1 1 1 -15 25 48 o 37.29983 4.855183 74.54163       17.30604 76.50514       18.89229 64.30000       43.14713 37.50058 5.293923 29.51063 11.05945 7.989943       12.26120 
1 1 1 -15 25 49 o 15.82364 7.467815 -17.80013      30.21049 42.82000       46.96760 -60.58000      39.45569 25.69279 10.85922 14.93442 7.379912 10.75837       13.12957 
1 1 1 -15 26 1  o 107.8204 3.253963 574.1666       34.30224 500.7000       80.06671 590.6823       37.96262 98.17019 8.413368 109.2662 3.554204 -11.09600      9.133298 
1 1 1 -15 26 2  o 82.74974 3.226284 338.3567       26.08210 218.8000       66.29530 360.2506       28.36992 63.19198 11.12412 85.34355 3.402928 -22.15157      11.63297 
1 1 1 -15 26 3  o 92.84656 3.189606 425.7643       28.94434 331.6000       71.88418 443.9852       31.62097 79.12894 9.468694 94.75220 3.414998 -15.62327      10.06570 
1 1 1 -15 26 4  o 90.73587 3.673407 407.8920       32.55783 341.5000       71.39808 425.3219       36.58276 80.43759 9.235547 92.53750 4.048600 -12.09991      10.08397 
1 1 1 -15 26 5  o 69.81188 3.295690 241.1193       22.45712 220.5000       64.03331 244.0111       23.98025 63.66055 10.65216 70.18173 3.501850 -6.521183      11.21301 
1 1 1 -15 26 6  o 62.40514 4.688240 195.0141       28.42822 174.8252       37.38297 222.7000       43.77707 58.39310 6.659317 65.88623 6.889797 -7.493130      9.582056 
1 1 1 -15 26 7  o 15.81994 7.082417 -8.288388      22.56900 -23.36707      31.03155 8.644000       32.88371 16.93053 7.850885 21.99199 9.177087 -5.061459      12.07706 
1 1 1 -15 26 8  f 67.83913 3.438854 228.0130       22.76048 218.6556       39.82996 232.5502       27.73493 65.50243 6.289407 68.31933 4.167235 -2.816895      7.544699 
1 1 1 -15 26 9  o 86.34855 3.531102 369.3677       29.78203 447.4000       63.03086 346.9393       33.79210 93.49513 6.936862 83.48933 4.148013 10.00580       8.082455 
1 1 1 -15 26 10 o 89.52628 3.667461 397.4881       32.07021 367.0000       71.07635 405.2819       35.93628 83.44063 8.836583 90.26166 4.077995 -6.821030      9.732176 
1 1 1 -15 26 11 o 66.88864 3.808270 222.4733       24.83065 197.7000       63.53316 226.9395       26.97627 59.55912 11.31150 67.47378 4.103923 -7.914658      12.03296 
1 1 1 -15 26 12 o 20.69087 6.675868 21.40398       15.38667 8.750000       56.46722 22.41889       15.99182 27.18744 11.70924 21.13902 6.804569 6.048414       13.54284 
1 1 1 -15 26 13 o 50.41227 4.513871 127.7174       22.03819 99.00958       37.07756 143.4000       27.40442 42.63111 9.158611 53.17514 5.337175 -10.54403      10.60026 
1 1 1 -15 26 14 o 31.99751 6.014903 53.38669       18.14730 39.42683       34.12769 58.89000       21.42784 28.16024 9.939708 33.40803 6.784575 -5.247795      12.03446 
1 1 1 -15 26 15 o 62.88653 3.695022 196.8320       22.64451 154.2137       39.41799 217.8248       27.66504 54.13770 7.651603 65.97299 4.307652 -11.83529      8.780826 
1 1 1 -15 26 16 o 83.00343 3.908943 343.2107       31.66941 285.0327       43.70998 407.5000       45.94843 74.71412 6.027974 89.84288 5.247780 -15.12876      7.992225 
1 1 1 -15 26 17 o 48.95878 4.286596 120.4283       20.33529 149.2000       43.69394 112.4733       22.97516 52.57451 8.801466 47.05938 5.067549 5.515125       10.15607 
1 1 1 -15 26 18 o 25.86368 6.677796 35.57492       17.02163 29.47587       31.83971 38.01558       20.14148 25.50751 9.512273 26.66154 7.437726 -1.154030      12.07490 
1 1 1 -15 26 19 o 43.27737 4.703774 94.97628       19.60555 102.5697       34.87534 91.46781       23.70602 43.42702 8.508948 42.04049 5.924944 1.386539       10.36857 
1 1 1 -15 26 20 o 16.89707 6.821981 7.679585       17.41749 66.59717       31.44459 -18.39854      20.92000 34.58971 9.148338 13.55781 6.339935 21.03190       11.13045 
1 1 1 -15 26 21 o 21.56689 7.274759 23.19889       18.20344 -31.46367      31.23240 51.32084       22.40181 15.93788 7.543085 30.76918 7.505949 -14.83130      10.64131 
1 1 1 -15 26 22 o 23.98771 7.198440 30.59635       18.24517 44.49626       31.31913 23.45580       22.44758 28.69051 9.540195 22.28621 8.039559 6.404308       12.47597 
1 1 1 -15 26 23 o 38.99440 5.561279 78.95641       20.62598 42.31796       32.79597 102.9313       26.52956 28.13850 9.757138 44.28529 6.297483 -16.14679      11.61293 
1 1 1 -15 26 24 o 80.27276 3.562468 321.9113       27.92172 271.6933       41.86916 362.1321       37.47053 72.41290 5.959774 84.62051 4.540473 -12.20762      7.492317 
1 1 1 -15 26 25 o 17.48276 7.184502 7.649888       19.73208 -18.07860      29.01444 29.78888       26.91448 16.44978 7.615234 24.34460 8.800375 -7.894815      11.63780 
1 1 1 -15 26 26 o 71.76027 3.715775 258.6298       26.01105 237.3823       38.67698 276.1752       35.14634 67.43487 5.919519 73.46867 4.915613 -6.033806      7.694410 
1 1 1 -15 26 27 o 68.31516 4.572955 238.0632       30.40268 228.0940       38.07594 255.6000       50.50040 65.94199 5.963445 68.38869 7.676407 -2.446701      9.720592 
1 1 1 -15 26 28 o 33.16179 6.210934 59.22262       19.41980 38.96887       27.99540 78.00769       26.96127 26.46110 9.020686 37.40618 7.622602 -10.94508      11.81003 
1 1 1 -15 26 29 o 30.18428 6.758361 50.19417       19.46972 46.43810       27.98077 53.71975       27.10863 28.33736 8.988008 30.40383 8.680290 -2.066475      12.49527 
1 1 1 -15 26 30 o 14.91398 6.695432 -5.657747      20.32388 -3.702809      25.89787 -8.792000      32.79174 17.13347 7.634278 18.44428 8.370999 -1.310806      11.32942 
1 1 1 -15 26 31 o 18.43802 6.979620 14.98194       17.28102 0.2109191      24.96418 28.57233       23.94573 17.42360 7.640765 23.25088 8.313794 -5.827276      11.29161 
1 1 1 -15 26 32 o 19.66677 7.233159 18.57884       18.29559 -9.056000      28.71974 37.45307       23.73486 17.17240 7.809557 25.66576 8.292315 -8.493357      11.39086 
1 1 1 -15 26 33 o 26.77093 6.970272 40.34407       18.44130 34.92628       27.48639 44.77932       24.86942 25.02440 8.911734 27.67362 8.425773 -2.649216      12.26428 
1 1 1 -15 26 34 o 13.41488 6.063142 -6.100986      16.98991 -3.436581      24.95481 -8.403087      23.19617 16.72377 7.470023 15.40796 7.011565 1.315815       10.24516 
1 1 1 -15 26 35 o 21.85349 7.851840 25.24214       21.38638 25.00459       25.05424 25.88000       41.05468 22.23496 8.406945 24.52392 10.24537 -2.288961      13.25309 
1 1 1 -15 26 36 o 14.48285 6.565520 -6.712653      20.10138 -12.05186      23.34112 8.616000       39.54896 14.86936 6.864721 21.73418 9.571131 -6.864820      11.77841 
1 1 1 -15 26 37 o 18.19173 7.332971 12.55843       20.08918 -1.599104      23.32060 53.29000       39.55592 16.33511 7.263576 28.79529 10.62774 -12.46017      12.87278 
1 1 1 -15 26 38 f 25.57694 7.654350 38.40755       20.65071 56.09468       24.21190 -8.804000      39.55709 30.66100 7.988504 19.49740 8.978051 11.16360       12.01755 
1 1 1 -15 26 39 o 43.09705 6.346455 102.6420       25.97155 38.34000       53.93304 122.0548       29.63376 26.81538 11.49457 46.79216 6.657676 -19.97679      13.28344 
1 1 1 -15 26 40 o 15.63831 7.013014 -3.408553      22.23129 -36.38000      48.84829 5.204627       24.96675 18.99208 9.110878 17.86689 7.740654 1.125193       11.95516 
1 1 1 -15 26 41 o 24.99845 7.119148 36.29449       18.25714 53.07719       21.89450 -2.009000      33.07677 30.04169 7.475738 18.75548 8.470016 11.28621       11.29725 
1 1 1 -15 26 42 o 27.12416 7.254765 43.11430       19.63584 42.26968       22.30787 46.02000       41.37645 26.52030 7.959915 27.06847 10.64976 -0.5481720     13.29578 
1 1 1 -15 26 43 o 15.74168 6.776529 3.483714       18.89565 -5.054000      21.39853 33.71000       40.26294 15.05304 6.803917 24.92830 10.25544 -9.875265      12.30721 
1 1 1 -15 26 44 o 22.39827 6.997069 28.89924       17.01943 31.30153       18.70732 17.36000       41.00039 23.16285 7.349482 22.51123 9.833825 0.6516190      12.27677 
1 1 1 -15 26 45 o 23.92800 9.330646 32.61884       31.52471 28.93000       49.83323 35.08000       40.70460 24.88692 10.85711 25.00555 10.30189 -0.1186314     14.96682 
1 1 1 -15 26 46 o 17.28402 7.947094 -7.678164      30.83422 -12.11000      49.46134 -4.861000      39.43485 20.54339 9.651783 19.46675 8.964020 1.076643       13.17234 
1 1 1 -15 26 47 o 29.53737 9.697134 59.43708       32.39072 82.79000       50.99154 43.64000       41.93879 31.99031 12.01568 25.93662 10.54416 6.053696       15.98611 
1 1 1 -15 26 48 o 15.69772 7.423084 -18.60012      30.12517 24.59000       46.65658 -49.48000      39.45105 23.30874 10.32407 15.57430 7.633225 7.734432       12.83950 
1 1 1 -15 27 1  o 47.72253 3.909129 113.6860       18.10048 67.76000       58.85243 118.4841       19.02251 35.98638 13.01276 48.69692 4.026765 -12.71054      13.62156 
1 1 1 -15 27 2  o 74.50427 3.820452 275.8661       27.76831 397.4000       71.05035 253.9558       30.16771 87.07830 8.441626 71.31696 4.342165 15.76134       9.492915 
1 1 1 -15 27 3  o 46.80462 3.939870 109.4243       17.88256 48.37000       57.25207 116.0248       18.82438 32.72266 12.62523 48.18330 4.028161 -15.46064      13.25226 
1 1 1 -15 27 4  o 59.99986 3.466335 178.6496       20.27095 193.2000       61.49391 176.8757       21.47106 59.00436 11.05343 59.64418 3.695881 -0.6398163     11.65495 
1 1 1 -15 27 5  o 53.71479 3.752958 143.6641       19.60799 78.13000       58.42974 151.9809       20.81503 37.68529 13.02576 55.22410 3.875324 -17.53881      13.59002 
1 1 1 -15 27 6  o 114.8649 4.011676 655.9555       45.03519 557.5000       84.97377 694.4127       53.10726 103.1137 8.494295 117.8949 4.610953 -14.78121      9.665089 
1 1 1 -15 27 7  o 65.85332 4.424369 217.0168       28.35357 159.6000       62.54856 231.8665       31.80949 52.62608 12.35527 67.94341 4.814209 -15.31732      13.26007 
1 1 1 -15 27 8  o 69.83893 4.236884 243.6039       28.82720 178.8000       62.12600 261.3850       32.54263 56.16234 11.68218 72.21365 4.628278 -16.05132      12.56560 
1 1 1 -15 27 9  o 61.80277 4.567534 191.6569       27.43571 156.9000       61.34480 200.3473       30.67446 52.13402 12.23314 63.03954 5.012402 -10.90552      13.22020 
1 1 1 -15 27 10 o 43.24407 4.665270 94.48003       19.43523 38.83000       57.37042 101.6946       20.65666 31.09805 12.44142 44.84835 4.779050 -13.75030      13.32773 
1 1 1 -15 27 11 o 19.12954 6.702246 16.96622       15.49636 -65.35000      55.67343 23.87929       16.13395 20.28791 9.730947 21.63692 6.820234 -1.349001      11.88305 
1 1 1 -15 27 12 o 58.88422 4.724626 174.6085       27.00322 149.2000       61.81761 180.6000       30.01863 50.39148 12.57411 59.72266 5.186433 -9.331177      13.60174 
1 1 1 -15 27 13 o 92.08840 4.662241 425.4666       41.88808 314.3000       73.01644 480.0000       51.14044 75.75459 10.09834 97.43412 5.383173 -21.67953      11.44355 
1 1 1 -15 27 14 o 23.44258 6.653874 28.94616       15.97524 27.08883       34.41518 29.45629       18.03614 25.47252 9.798870 23.72090 7.165722 1.751625       12.13942 
1 1 1 -15 27 15 o 26.24771 6.668343 36.65909       17.16365 30.52000       41.26988 37.94299       18.87326 27.23141 10.65926 26.64787 7.105813 0.5835457      12.81064 
1 1 1 -15 27 16 o 32.98954 5.916110 56.84934       18.40192 72.35000       43.95733 53.55558       20.26294 35.65577 11.25999 31.73760 6.731539 3.918169       13.11873 
1 1 1 -15 27 17 o 52.11573 4.190971 136.4889       21.19900 93.69212       37.52536 156.5490       25.69132 40.91116 9.546062 55.63202 4.763779 -14.72087      10.66869 
1 1 1 -15 27 18 o 54.95975 4.617110 152.6256       24.60884 147.8585       37.90154 156.1000       32.35678 52.75034 7.556013 54.95070 6.119395 -2.200363      9.723186 
1 1 1 -15 27 19 o 81.63723 3.472972 331.6723       27.68869 304.6527       44.35802 348.9208       35.44119 77.02238 5.929285 83.34350 4.359563 -6.321114      7.359498 
1 1 1 -15 27 20 o 26.01068 7.057318 36.50555       18.42117 29.03047       33.03038 39.88017       22.19310 25.31711 9.634145 27.07702 7.891988 -1.759912      12.45392 
1 1 1 -15 27 21 o 33.85165 6.128115 60.59651       19.55811 49.20873       33.83595 66.31048       23.96776 29.78726 9.916427 34.98875 7.237272 -5.201487      12.27655 
1 1 1 -15 27 22 o 19.28748 7.213538 16.08939       18.33692 -3.986165      31.45301 26.42591       22.56918 19.07739 8.461881 22.96899 8.085184 -3.891602      11.70357 
1 1 1 -15 27 23 o 44.86971 4.938445 103.4654       21.33130 99.78677       33.90242 105.8760       27.44473 42.20969 8.499967 44.66975 6.464542 -2.460064      10.67894 
1 1 1 -15 27 24 o 32.67839 6.797244 58.09830       21.03281 56.35971       31.97691 59.42404       27.92325 31.14878 9.567801 32.23810 8.664061 -1.089317      12.90770 
1 1 1 -15 27 25 f 59.52976 4.983670 182.4152       28.77326 139.6025       35.52961 264.0000       49.04654 50.56037 7.398082 69.86004 7.279193 -19.29967      10.37874 
1 1 1 -15 27 26 o 31.30278 8.037593 55.67536       24.75266 -43.71000      54.27251 81.77814       27.81391 20.51620 9.776672 38.29050 7.688380 -17.77430      12.43762 
1 1 1 -15 27 27 o 36.13801 6.119109 70.06648       20.87341 44.06601       30.28052 93.60792       28.81305 27.74057 9.382555 41.10844 7.434222 -13.36787      11.97080 
1 1 1 -15 27 28 o 33.57359 7.252859 62.94054       23.13742 17.45456       29.43418 136.5000       37.43109 21.66648 8.824033 49.24114 8.043441 -27.57466      11.93987 
1 1 1 -15 27 29 o 17.14900 7.172698 6.582170       20.15716 2.025353       26.26672 13.11000       31.43833 18.11522 7.892977 21.24968 8.927354 -3.134455      11.91624 
1 1 1 -15 27 30 o 21.76467 7.244272 25.45413       18.05767 4.371305       25.71620 45.96065       25.36229 18.32255 7.896696 28.10028 8.499189 -9.777731      11.60147 
1 1 1 -15 27 31 o 13.00049 6.013568 -11.58812      18.03909 2.664000       27.97184 -21.73608      23.60318 18.61074 8.126359 13.88508 6.567324 4.725661       10.44832 
1 1 1 -15 27 32 o 40.95736 4.968580 87.87558       19.51226 83.53536       28.58837 91.66068       26.69757 38.10632 7.923215 40.63669 6.962268 -2.530376      10.54754 
1 1 1 -15 27 33 o 14.24609 6.556781 -10.94806      21.06216 -23.83725      24.66390 23.77000       40.47872 13.97172 6.638858 24.14401 10.13578 -10.17229      12.11646 
1 1 1 -15 27 34 o 22.27119 7.873428 26.81926       21.42016 19.49175       25.04676 46.77000       41.32882 20.93269 8.270374 27.95962 10.74262 -7.026932      13.55739 
1 1 1 -15 27 35 f 12.67002 5.963988 -16.25273      19.04370 -16.25671      21.82194 -16.24000      39.00143 13.75492 6.445999 18.75353 8.731985 -4.998605      10.85350 
1 1 1 -15 27 36 o 10.94663 5.258026 -20.57802      16.38733 -34.06804      22.24556 -4.571197      24.23202 11.98934 5.845019 16.13297 7.270934 -4.143623      9.329026 
1 1 1 -15 27 37 o 24.28051 8.204352 34.54559       23.15296 58.11000       51.83226 28.67171       25.87823 29.37505 11.80045 22.87878 8.566832 6.496267       14.58222 
1 1 1 -15 27 38 o 15.53768 6.593776 4.534680       17.43450 12.78814       24.50200 -3.929729      24.81315 19.16904 7.953951 16.36633 7.368474 2.802710       10.84250 
1 1 1 -15 27 39 o 17.82917 6.848360 14.43004       16.79271 20.80903       22.70065 6.720424       24.95622 20.55732 7.945012 18.09460 7.788603 2.462723       11.12590 
1 1 1 -15 27 40 o 27.26038 7.050526 43.17196       18.95279 29.72163       24.07993 65.07000       30.72497 22.91816 8.318561 31.91739 9.281034 -8.999233      12.46339 
1 1 1 -15 27 41 o 24.29747 9.331577 33.92529       31.17565 65.65000       49.65310 13.28000       40.05511 30.25308 11.73446 21.95499 9.651567 8.298086       15.19376 
1 1 1 -15 27 42 o 39.13770 11.22521 108.4000       45.23362 0.000000       0.000000 108.4000       45.23362 ?        ?        39.13770 11.22521 ?              ?        
1 1 1 -15 27 43 o 15.25977 7.277349 -25.84904      30.18947 -38.84000      46.36834 -16.29000      39.77481 18.10299 8.733154 18.52925 8.689531 -0.4262581     12.31974 
1 1 1 -15 27 44 o 24.00516 9.354147 33.14115       31.66588 -12.42000      49.85092 63.96000       41.00002 20.71797 9.719833 30.12085 10.86532 -9.402878      14.57842 
1 1 1 -15 27 45 o 21.21637 8.950055 18.81653       31.80515 31.96000       51.43558 10.68000       40.46955 25.04745 10.97626 21.35396 9.527214 3.693497       14.53431 
1 1 1 -15 27 46 o 22.10838 9.105876 24.91665       31.79072 8.601000       49.14060 36.66000       41.69022 22.10445 10.11471 24.79120 10.33822 -2.686745      14.46327 
1 1 1 -15 27 47 o 14.71843 7.067932 -27.10684      29.56739 -22.88000      45.70018 -30.15000      38.77682 18.65966 8.913884 16.74408 8.054452 1.915585       12.01381 
1 1 1 -15 28 1  o 58.47463 3.553133 170.0474       20.24094 222.6000       63.02782 164.0043       21.37305 63.46347 10.51398 57.34864 3.829419 6.114834       11.18964 
1 1 1 -15 28 2  o 16.66694 6.302502 10.64808       14.08195 -15.23000      53.95579 12.53964       14.58754 23.94054 10.81414 17.43269 6.450381 6.507845       12.59179 
1 1 1 -15 28 3  o 49.28727 3.833265 121.3302       18.34780 74.17000       57.67483 126.6404       19.35322 36.65805 12.92306 50.32677 3.960586 -13.66872      13.51635 
1 1 1 -15 28 4  o 11.18596 5.149780 -9.345160      13.00530 2.411000       52.49264 -10.11397      13.42381 25.49764 11.13293 11.27625 5.205915 14.22139       12.28998 
1 1 1 -15 28 5  o 27.63423 5.951389 40.08976       15.62181 8.796000       54.59027 42.88099       16.30362 26.64508 11.49460 28.58260 6.017989 -1.937527      12.97467 
1 1 1 -15 28 6  o 48.18113 3.888256 116.0933       18.18178 82.64000       57.70430 119.7805       19.15760 38.06089 12.95136 48.90456 4.038033 -10.84367      13.56626 
1 1 1 -15 28 7  o 37.49888 4.537876 71.24486       16.31782 25.17000       56.33044 75.46539       17.04882 28.94138 12.03885 38.58936 4.604301 -9.647976      12.88928 
1 1 1 -15 28 8  o 16.17686 7.082716 -2.848072      21.37459 -30.99000      56.97464 1.761536       23.05880 23.09362 10.68404 17.63652 7.536929 5.457104       13.07493 
1 1 1 -15 28 9  o 49.57919 5.288656 125.1412       25.26978 73.51000       59.95652 136.2939       27.86566 36.46334 13.14103 51.64543 5.601885 -15.18209      14.28523 
1 1 1 -15 28 10 o 19.90130 8.330346 6.909808       27.22073 14.76000       55.97240 4.478000       31.15289 27.50048 11.74716 20.60110 8.780852 6.899378       14.66626 
1 1 1 -15 28 11 o 44.38382 4.581649 99.58992       19.61882 14.24000       57.93596 110.6446       20.85068 27.74856 11.90439 46.79557 4.611952 -19.04702      12.76654 
1 1 1 -15 28 12 o 71.21903 3.433221 252.0915       23.86288 139.7000       63.26905 270.7311       25.76579 48.05927 13.09554 73.76232 3.579324 -25.70306      13.57588 
1 1 1 -15 28 13 o 93.92872 4.277455 441.8162       39.22372 0.000000       0.000000 441.8162       39.22372 ?        ?        93.92872 4.277455 ?              ?        
1 1 1 -15 28 14 o 49.87737 4.876365 126.2889       23.50328 0.000000       0.000000 126.2889       23.50328 ?        ?        49.87737 4.876365 ?              ?        
1 1 1 -15 28 15 o 57.56010 4.660132 167.4544       26.03151 0.000000       0.000000 167.4544       26.03151 ?        ?        57.56010 4.660132 ?              ?        
1 1 1 -15 28 16 o 23.60298 7.297726 29.33818       18.56647 5.571000       55.82906 32.29358       19.68700 26.08245 11.43247 24.64576 7.495182 1.436689       13.67038 
1 1 1 -15 28 17 o 18.46575 6.806035 14.78342       16.21310 -1.861657      30.54638 21.31176       19.13013 19.25623 8.447977 21.07899 7.441680 -1.822758      11.25819 
1 1 1 -15 28 18 o 26.74788 7.124287 38.81178       18.98515 33.24000       40.25053 40.40607       21.53066 27.09631 10.54972 27.19983 7.726120 -0.1035213     13.07629 
1 1 1 -15 28 19 o 49.71999 5.029117 126.5907       24.13920 106.3534       36.13503 142.9000       32.43921 43.64278 8.763523 52.12026 6.499381 -8.477482      10.91060 
1 1 1 -15 28 20 o 46.14022 4.799617 108.9375       21.36024 88.02505       34.90401 121.4587       27.00818 39.22931 9.242741 48.26498 5.835166 -9.035675      10.93057 
1 1 1 -15 28 21 o 30.70643 6.762519 51.24852       19.77510 101.0398       33.83458 25.41531       24.37100 42.47480 8.435619 22.85854 8.357805 19.61626       11.87487 
1 1 1 -15 28 22 o 32.76878 6.485759 58.00277       20.06645 45.26243       33.24216 65.30660       25.16948 28.39376 9.824437 34.23523 7.698326 -5.841469      12.48134 
1 1 1 -15 28 23 o 36.75523 6.355635 72.62704       22.03863 88.71901       33.58841 60.46186       29.20413 39.14605 8.959944 32.24278 8.941633 6.903267       12.65833 
1 1 1 -15 28 24 o 56.18681 5.220303 163.6792       28.38182 159.8518       35.75376 170.2000       46.66826 54.45168 6.860102 54.44714 9.076016 0.4535675E-02  11.37695 
1 1 1 -15 28 25 o 43.58300 5.126269 98.89088       21.45108 63.78296       30.25742 134.3678       30.41601 32.89701 9.093193 50.14643 6.337955 -17.24942      11.08403 
1 1 1 -15 28 26 o 16.81102 7.079289 5.371739       19.84305 5.950264       29.01632 4.863500       27.19662 19.52866 8.402000 18.87394 8.127446 0.6547203      11.68970 
1 1 1 -15 28 27 o 26.36973 8.214935 39.67889       23.47692 27.78318       29.79758 59.15000       38.12249 23.76750 9.124290 31.03113 10.52737 -7.263628      13.93119 
1 1 1 -15 28 28 o 27.42754 7.143246 42.34490       19.36432 30.46860       28.76859 52.18316       26.18406 24.18055 9.037000 29.83774 8.534958 -5.657188      12.43032 
1 1 1 -15 28 29 o 30.65760 6.521577 51.86565       18.96808 22.30176       28.12268 76.53929       25.69168 22.25357 8.772417 36.89716 7.371735 -14.64359      11.45852 
1 1 1 -15 28 30 o 27.60949 7.363158 43.50298       20.26347 42.53000       33.33798 44.07304       25.51832 27.02654 9.791015 27.39238 8.569395 -0.3658485     13.01148 
1 1 1 -15 28 31 o 23.08831 7.276986 29.81838       18.36774 3.552513       27.40933 51.22805       24.74615 18.50195 8.062131 29.48285 8.251302 -10.98090      11.53611 
1 1 1 -15 28 32 o 55.88483 4.954563 163.2430       26.82170 131.4366       31.77373 242.1000       50.03008 48.73763 6.849074 65.02953 8.030272 -16.29191      10.55439 
1 1 1 -15 28 33 o 53.14661 5.006215 148.2159       25.73624 120.4233       30.36532 219.1000       48.49400 46.52758 6.874181 61.43002 8.275219 -14.90245      10.75796 
1 1 1 -15 28 34 o 14.28759 6.539947 -8.762989      20.56603 -6.247538      24.10645 -15.49000      39.42178 15.87010 7.192610 18.85322 8.778576 -2.983120      11.34888 
1 1 1 -15 28 35 o 24.49553 7.990288 35.16318       22.00774 7.787000       48.95941 42.09553       24.63713 22.86737 10.31793 26.42962 8.439764 -3.562246      13.33002 
1 1 1 -15 28 36 o 14.11157 6.537085 -11.77695      21.43295 -30.86000      48.75280 -7.205180      23.86260 19.33048 9.226762 15.57415 7.096636 3.756336       11.64025 
1 1 1 -15 28 37 o 39.62675 8.898330 96.64429       33.66777 129.9000       54.54040 76.17000       42.79466 41.69899 12.42998 32.95464 11.15405 8.744343       16.70081 
1 1 1 -15 28 38 o 20.74548 8.775257 15.31599       30.71115 12.44000       49.21589 17.15000       39.30185 23.16113 10.40674 22.37966 9.703757 0.7814713      14.22895 
1 1 1 -15 28 39 o 23.70381 10.54009 17.93000       49.10468 17.93000       49.10468 0.000000       0.000000 23.70381 10.54009 ?        ?        ?              ?        
1 1 1 -15 28 40 f 30.01126 9.578691 58.72234       31.73834 23.16000       49.14291 84.17000       41.57092 24.26651 10.67832 34.54362 10.95527 -10.27711      15.29851 
1 1 1 -15 28 41 o 31.09091 10.98022 68.29000       41.65130 0.000000       0.000000 68.29000       41.65130 ?        ?        31.09091 10.98022 ?              ?        
1 1 1 -15 28 42 o 38.09171 9.110081 92.20798       33.50857 102.5000       51.89779 84.85000       43.88115 36.09104 12.28244 33.99960 11.29215 2.091446       16.68445 
1 1 1 -15 28 43 o 21.59716 9.014809 20.44304       31.74394 44.69000       50.82510 4.935000       40.64695 26.79911 11.31003 20.83531 9.401156 5.963802       14.70709 
1 1 1 -15 28 44 o 30.25538 9.699489 61.91040       32.51661 50.69000       51.43529 69.38000       41.96679 27.29459 11.43979 30.72580 11.00394 -3.431210      15.87311 
1 1 1 -15 28 45 o 23.56129 9.310696 32.96499       31.74980 69.12000       50.08498 8.675000       41.05224 29.64848 11.70095 20.97272 9.456917 8.675764       15.04478 
1 1 1 -15 28 46 o 17.80791 8.080687 -0.5250273     30.53947 -23.86000      47.31387 16.14000       39.98414 18.82957 9.015266 21.50048 9.538455 -2.670912      13.12468 
1 1 1 -15 29 1  o 97.60016 3.256744 472.1409       31.06931 404.5000       74.43233 486.4131       34.19038 86.89671 8.875391 98.95537 3.535549 -12.05866      9.553674 
1 1 1 -15 29 2  o 48.60226 3.885073 118.2352       18.32878 134.6000       57.86031 116.4098       19.32396 47.74471 12.30391 48.15115 4.140151 -0.4064369     12.98179 
1 1 1 -15 29 3  o 47.02847 3.903132 110.7754       17.80549 72.61000       57.50877 114.8218       18.72562 36.08358 12.88611 47.84800 4.035809 -11.76443      13.50332 
1 1 1 -15 29 4  o 41.47325 4.214954 86.66182       16.87323 141.2000       59.31757 81.86034       17.60031 48.84287 12.39012 40.20031 4.552913 8.642559       13.20016 
1 1 1 -15 29 5  o 60.11420 3.526031 179.9104       20.65657 146.5000       62.82167 183.9606       21.87280 49.41096 12.86495 60.73872 3.696526 -11.32777      13.38549 
1 1 1 -15 29 6  o 29.20087 5.687827 44.59863       15.67255 67.85000       57.87539 42.75864       16.28086 35.21133 12.87878 28.48402 6.027704 6.727310       14.21957 
1 1 1 -15 29 7  o 27.39824 5.907208 39.55482       15.37524 12.15000       57.32961 41.67871       15.95992 27.28475 11.77506 28.11878 5.982652 -0.8340321     13.20773 
1 1 1 -15 29 8  o 36.00809 4.762441 66.17159       16.37440 67.73000       58.56479 66.03944       17.05457 35.12002 12.93695 35.90208 4.987557 -0.7820663     13.86508 
1 1 1 -15 29 9  o 34.03263 8.557737 63.86572       28.47468 103.7000       57.37824 50.85000       32.79842 41.44125 12.83183 30.45750 9.739082 10.98376       16.10917 
1 1 1 -15 29 10 o 21.92038 8.706411 16.83806       27.89439 -7.834000      55.41790 25.21000       32.28200 24.65800 11.06407 24.54128 9.477228 0.1167259      14.56817 
1 1 1 -15 29 11 o 27.96591 8.135763 42.50598       23.60509 11.61000       56.24858 49.11020       26.00587 26.87265 11.63047 29.90111 8.490440 -3.028465      14.39984 
1 1 1 -15 29 12 o 14.48827 6.067009 2.803621       14.44742 4.231000       57.56170 2.707656       14.92518 26.24589 11.55281 14.66767 6.155924 11.57823       13.09056 
1 1 1 -15 29 13 o 19.41710 6.729183 18.12021       15.59814 0.000000       0.000000 18.12021       15.59814 ?        ?        19.41710 6.729183 ?              ?        
1 1 1 -15 29 14 o 36.00211 5.853957 67.81690       19.92122 32.90000       56.87578 72.69955       21.26851 29.36833 12.14603 37.22717 6.043838 -7.858841      13.56665 
1 1 1 -15 29 15 o 23.69096 7.261063 29.90898       18.42941 4.105000       54.55357 33.23321       19.58055 25.40981 11.21332 24.84510 7.457556 0.5647068      13.46677 
1 1 1 -15 29 16 o 19.54579 6.892220 18.27302       16.40571 -31.37000      54.36377 23.24693       17.20797 21.93735 10.24587 21.31278 7.071119 0.6245670      12.44904 
1 1 1 -15 29 17 o 10.16786 4.921916 -23.24626      15.04273 -91.48000      55.43596 -17.82267      15.62914 18.20548 8.948161 11.14183 5.291497 7.063650       10.39565 
1 1 1 -15 29 18 o 21.20414 7.173268 22.96754       17.69930 71.25000       56.31332 17.67517       18.64412 34.35365 12.68038 19.74818 7.294984 14.60547       14.62904 
1 1 1 -15 29 19 o 46.80150 4.601963 112.0148       20.80950 118.8000       59.96408 111.0857       22.18845 42.38379 13.11679 46.44822 4.956873 -4.064426      14.02215 
1 1 1 -15 29 20 o 46.65707 4.982344 112.3980       22.40225 0.000000       0.000000 112.3980       22.40225 ?        ?        46.65707 4.982344 ?              ?        
1 1 1 -15 29 21 o 16.81963 7.159551 3.766972       20.66264 0.3688000      54.74701 4.331434       22.31285 24.29967 10.94222 17.46040 7.436390 6.839270       13.22997 
1 1 1 -15 29 22 o 72.48828 6.061855 276.9026       42.61753 218.9000       65.10126 320.4000       56.37646 59.11420 11.66541 76.46503 7.634253 -17.35083      13.94144 
1 1 1 -15 29 23 o 57.85900 4.184763 170.3759       23.53983 180.7000       60.05844 168.5020       25.58713 53.14672 11.84748 57.31201 4.599692 -4.165287      12.70905 
1 1 1 -15 29 24 o 19.20643 7.362722 15.98153       19.38365 56.57000       53.16512 9.759034       20.81651 30.79779 12.08552 18.04914 7.394048 12.74865       14.16798 
1 1 1 -15 29 25 o 20.97380 7.863608 21.00731       21.81867 55.18000       52.08337 13.73382       24.02874 30.43797 11.95664 19.70927 7.992728 10.72871       14.38211 
1 1 1 -15 29 26 o 34.01289 7.999578 66.62188       26.18329 66.59000       53.56203 66.63189       30.01387 32.12492 12.25784 33.41526 8.983477 -1.290337      15.19729 
1 1 1 -15 29 27 o 20.53037 7.633535 20.42457       20.47531 4.046000       51.05600 23.56358       22.35144 23.56252 10.59227 21.65621 7.989611 1.906309       13.26763 
1 1 1 -15 29 28 o 35.61730 6.916967 70.63853       23.24527 0.000000       0.000000 70.63853       23.24527 ?        ?        35.61730 6.916967 ?              ?        
1 1 1 -15 29 29 o 19.64522 7.636583 16.98310       21.06437 0.000000       0.000000 16.98310       21.06437 ?        ?        19.64522 7.636583 ?              ?        
1 1 1 -15 29 30 o 47.00419 4.755389 115.1968       21.57843 68.38000       55.01356 123.7093       23.45830 31.68153 12.33397 48.56684 5.006227 -16.88531      13.31124 
1 1 1 -15 29 31 o 35.53210 7.556026 72.60118       25.47027 9.282000       51.62099 92.97692       29.28300 23.76077 10.66856 40.21064 7.720530 -16.44987      13.16908 
1 1 1 -15 29 32 o 36.31044 7.319886 75.51620       25.11666 66.13000       52.50210 78.30185       28.60192 30.95081 12.04925 36.29967 8.239068 -5.348862      14.59680 
1 1 1 -15 29 33 o 23.55165 7.268648 31.94985       18.42865 21.96000       49.61908 33.54834       19.84837 24.48858 10.75453 24.03139 7.563305 0.4571896      13.14776 
1 1 1 -15 29 34 o 21.39876 7.821541 24.65721       21.34130 10.64000       49.17468 27.90995       23.68839 23.09180 10.38674 22.47210 8.236162 0.6197014      13.25590 
1 1 1 -15 29 35 o 23.79108 9.289395 31.08874       31.27961 21.27000       49.67442 37.54000       40.26497 24.25481 10.70203 25.62860 10.36341 -1.373795      14.89744 
1 1 1 -15 29 36 o 23.30109 9.203431 28.72270       31.00885 28.38000       49.77953 28.94000       39.63893 25.11694 10.90558 24.21031 10.08713 0.9066334      14.85537 
1 1 1 -15 29 37 o 14.85754 7.140681 -31.23044      30.32307 -19.01000      47.16581 -39.84000      39.58900 19.84054 9.353610 16.61972 8.030379 3.220823       12.32790 
1 1 1 -15 29 38 o 21.90429 10.00260 3.274000       47.73550 3.274000       47.73550 0.000000       0.000000 21.90429 10.00260 ?        ?        ?              ?        
1 1 1 -15 29 39 o 15.64988 7.412068 -22.24708      30.25944 -18.79000      48.70717 -24.42000      38.61539 20.07563 9.476849 17.57972 8.339845 2.495911       12.62393 
1 1 1 -15 29 40 o 30.87480 11.05352 68.00000       42.34193 0.000000       0.000000 68.00000       42.34193 ?        ?        30.87480 11.05352 ?              ?        
1 1 1 -15 29 41 o 26.70075 9.537376 45.97068       31.50442 6.068000       48.36049 75.39000       41.52465 22.08529 10.07860 32.28281 10.98660 -10.19752      14.90918 
1 1 1 -15 29 42 o 16.14382 7.579584 -17.04835      30.41272 16.95000       49.25996 -37.99000      38.66078 23.28633 10.44129 16.40418 7.928538 6.882153       13.11038 
1 1 1 -15 29 43 o 17.70724 8.062857 -3.305501      30.73320 -7.731000      50.26300 -0.6630000     38.83961 20.87324 9.782203 19.68153 9.000837 1.191710       13.29310 
1 1 1 -15 29 44 o 30.79033 9.742910 65.68004       32.89550 89.48000       51.77607 49.57000       42.59800 32.66724 12.14020 26.67175 10.70354 5.995497       16.18488 
1 1 1 -15 29 45 o 37.14889 9.144657 91.59451       33.02514 138.2000       51.34126 58.70000       43.13299 41.61442 11.96643 27.88454 10.90240 13.72988       16.18820 
1 1 1 -15 30 1  o 54.08899 3.723513 146.3028       19.59341 179.0000       63.89469 142.9090       20.58516 54.84295 12.21575 53.37804 3.968291 1.464909       12.84414 
1 1 1 -15 30 2  o 51.06534 3.839545 130.6557       19.05109 168.1000       61.90759 126.7388       20.02275 53.12684 12.16721 50.20501 4.110417 2.921837       12.84276 
1 1 1 -15 30 3  o 59.56263 3.553056 176.9658       20.62072 207.5000       63.01220 173.3036       21.82230 60.04270 11.13135 58.85864 3.808216 1.184063       11.76476 
1 1 1 -15 30 4  o 33.98274 5.068927 59.48202       16.34600 111.7000       58.17426 55.00594       17.03218 42.72082 12.86137 32.49640 5.553989 10.22442       14.00934 
1 1 1 -15 30 5  o 50.76226 3.880234 129.2161       19.13379 111.8000       59.98481 131.1889       20.18838 42.59277 13.10820 51.08937 4.070695 -8.496605      13.72573 
1 1 1 -15 30 6  o 20.63630 6.609165 21.78435       15.10011 38.04000       55.63469 20.49163       15.68904 30.08493 12.17589 20.25596 6.752722 9.828974       13.92306 
1 1 1 -15 30 7  o 33.91268 5.199553 59.43299       16.71011 75.90000       58.77003 57.98465       17.42949 36.13655 13.01201 33.37816 5.528107 2.758389       14.13763 
1 1 1 -15 30 8  o 34.24349 5.633706 61.13298       18.22722 106.9000       57.59586 56.03918       19.21479 41.66472 12.84843 32.53348 6.261143 9.131241       14.29280 
1 1 1 -15 30 9  o 27.89014 6.368877 41.59448       17.00380 0.000000       0.000000 41.59448       17.00380 ?        ?        27.89014 6.368877 ?              ?        
1 1 1 -15 30 10 o 56.87530 4.991546 164.9229       27.50694 119.4000       60.57578 176.7479       30.87355 43.52294 13.12886 58.67856 5.437108 -15.15562      14.21018 
1 1 1 -15 30 11 o 27.36819 8.635447 40.98413       25.85891 0.000000       0.000000 40.98413       25.85891 ?        ?        27.36819 8.635447 ?              ?        
1 1 1 -15 30 12 o 27.33128 8.869505 40.82861       27.13609 0.000000       0.000000 40.82861       27.13609 ?        ?        27.33128 8.869505 ?              ?        
1 1 1 -15 30 13 o 84.15322 3.433472 353.4156       28.22263 242.3000       67.52912 376.9313       31.06584 64.03227 11.18083 86.79630 3.664833 -22.76402      11.76614 
1 1 1 -15 30 14 o 45.14047 4.540910 103.9263       19.79158 98.82000       57.52104 104.6120       21.07860 39.26316 12.92416 45.16725 4.843281 -5.904091      13.80185 
1 1 1 -15 30 15 o 19.10050 7.259837 15.34792       18.74221 -18.48000      54.40356 19.90336       19.96433 22.79952 10.50953 20.62813 7.560968 2.171387       12.94675 
1 1 1 -15 30 16 o 29.06037 7.134169 46.56518       20.14095 -14.88000      54.46002 56.30089       21.67793 23.04399 10.58305 32.01596 7.103245 -8.971975      12.74587 
1 1 1 -15 30 17 o 44.98629 4.519280 103.6233       19.63083 20.80000       56.27761 115.0970       20.94649 26.85583 11.62832 47.40899 4.570405 -20.55316      12.49426 
1 1 1 -15 30 18 o 26.25543 7.004985 38.17748       18.33523 -24.02000      54.32458 46.17356       19.47820 22.00403 10.26549 28.88703 6.969510 -6.882999      12.40784 
1 1 1 -15 30 19 o 26.02520 7.302883 37.78032       19.35728 15.25000       53.40604 41.18787       20.76958 25.58185 11.19816 27.07502 7.552708 -1.493162      13.50712 
1 1 1 -15 30 20 o 41.79114 6.576843 94.47330       26.01540 97.69000       55.05875 93.54873       29.51836 38.02478 12.64942 40.92601 7.649820 -2.901230      14.78268 
1 1 1 -15 30 21 f 59.91500 4.321367 183.2799       25.17302 0.000000       0.000000 183.2799       25.17302 ?        ?        59.91500 4.321367 ?              ?        
1 1 1 -15 30 22 o 17.34062 7.347829 5.440417       21.59516 0.000000       0.000000 5.440417       21.59516 ?        ?        17.34062 7.347829 ?              ?        
1 1 1 -15 30 23 o 19.66226 7.858875 14.83026       22.86925 -18.10000      52.06635 22.70200       25.45628 21.74070 10.11145 21.96211 8.432888 -0.2214069     13.16644 
1 1 1 -15 30 24 o 29.50114 8.067327 50.47932       23.96110 76.28000       52.58466 43.71849       26.91804 33.69950 12.28374 27.35542 8.830254 6.344082       15.12824 
1 1 1 -15 30 25 o 43.23383 6.639910 102.1798       27.20209 134.5000       54.74990 91.58646       31.34456 44.46856 12.20845 39.73941 8.325156 4.729149       14.77682 
1 1 1 -15 30 26 o 29.81061 7.556775 51.01321       22.07612 15.70000       52.34289 58.65390       24.34756 24.85376 10.97517 31.82967 7.861733 -6.975910      13.50041 
1 1 1 -15 30 27 o 26.11286 8.051839 39.62512       22.62003 0.000000       0.000000 39.62512       22.62003 ?        ?        26.11286 8.051839 ?              ?        
1 1 1 -15 30 28 o 44.35454 5.136928 103.7215       21.89037 70.42000       54.24844 110.1986       23.92467 31.99802 12.30424 45.51490 5.480289 -13.51688      13.46952 
1 1 1 -15 30 29 o 17.59934 7.101903 11.06426       18.86558 58.55000       51.46583 3.693140       20.27701 30.02907 11.85804 16.39331 7.037924 13.63576       13.78933 
1 1 1 -15 30 30 o 19.06382 7.913258 11.97728       24.26471 -12.88000      50.95642 19.26660       27.59407 21.39372 9.967895 21.17960 8.573847 0.2141266      13.14799 
1 1 1 -15 30 31 o 25.76250 8.514231 39.77078       24.95539 15.00000       50.59135 47.73610       28.68851 23.85506 10.64705 27.74638 9.127021 -3.891315      14.02363 
1 1 1 -15 30 32 o 29.66185 6.863665 50.42402       19.53248 23.19000       50.79113 55.15068       21.15970 24.67867 10.85794 30.87849 7.142905 -6.199820      12.99676 
1 1 1 -15 30 33 o 16.34062 7.024969 4.331141       20.25489 -30.26000      50.94412 10.82592       22.07466 19.72080 9.418228 18.15106 7.542178 1.569736       12.06596 
1 1 1 -15 30 34 o 35.50783 9.393639 80.53609       33.14793 31.24000       52.50774 113.2000       42.74163 25.64991 11.16800 41.03989 10.57438 -15.38998      15.37991 
1 1 1 -15 30 35 o 21.45925 8.907471 19.65179       30.74437 -3.684000      48.88636 34.92000       39.54307 21.46060 9.917281 25.01525 10.21265 -3.554653      14.23554 
1 1 1 -15 30 36 o 16.02174 7.944234 -78.35000      47.16930 -78.35000      47.16930 0.000000       0.000000 16.02174 7.944234 ?        ?        ?              ?        
1 1 1 -15 30 37 o 23.13390 9.218168 28.64684       31.36828 9.574000       49.28959 41.63000       40.66658 22.70236 10.28741 26.07851 10.46061 -3.376144      14.67158 
1 1 1 -15 30 38 o 24.43517 10.19411 31.63000       40.56139 0.000000       0.000000 31.63000       40.56139 ?        ?        24.43517 10.19411 ?              ?        
1 1 1 -15 30 39 o 17.40658 7.958535 -6.032453      30.34120 -35.98000      47.48539 14.63000       39.44303 18.46439 8.889911 21.81959 9.585274 -3.355202      13.07318 
1 1 1 -15 30 40 o 35.31703 9.447639 81.80501       33.29698 46.91000       51.18811 107.4000       43.83944 26.95690 11.36206 38.70572 11.03470 -11.74882      15.83859 
1 1 1 -15 30 41 o 14.29353 6.923551 -34.88924      29.89028 -16.95000      48.39901 -45.95000      38.00380 19.92052 9.416632 15.63365 7.625656 4.286873       12.11708 
1 1 1 -15 30 42 o 22.08121 9.067741 25.00588       31.40347 4.885000       50.14390 37.99000       40.28107 21.87590 10.08591 24.92580 10.25643 -3.049900      14.38471 
1 1 1 -15 30 43 o 14.52988 7.014042 -30.89183      30.02954 -85.97000      47.34846 6.171000       38.84055 15.35641 7.669809 20.21508 9.149017 -4.858670      11.93861 
1 1 1 -15 30 44 o 18.14018 8.176049 2.242909       30.64573 27.31000       48.30725 -14.64000      39.64460 23.52535 10.45784 18.12494 8.554149 5.400410       13.51073 
1 1 1 -15 31 1  o 53.25013 3.835724 142.4263       19.85887 135.4000       62.72414 143.2090       20.93587 46.07100 13.21995 53.32245 4.041296 -7.251453      13.82386 
1 1 1 -15 31 2  o 21.40506 6.762066 23.91249       15.85180 78.44000       57.69618 19.46038       16.48624 36.05794 12.90366 19.95653 6.917994 16.10141       14.64114 
1 1 1 -15 31 3  o 25.33571 6.437677 34.54847       15.99496 0.5445000      58.47167 37.29879       16.62924 25.65353 11.44824 26.30919 6.496619 -0.6556644     13.16314 
1 1 1 -15 31 4  o 27.04250 6.250720 39.22014       16.21424 18.75000       58.40188 40.92974       16.87774 27.57679 11.89278 27.59747 6.376161 -0.2067566E-01 13.49421 
1 1 1 -15 31 5  o 18.76920 6.661326 16.58529       15.34528 74.02000       57.45386 12.17338       15.92376 35.21652 12.83939 17.52787 6.684659 17.68865       14.47531 
1 1 1 -15 31 6  o 14.12082 6.172310 -1.765491      16.17390 39.07000       55.43253 -5.565461      16.90970 29.69020 12.10282 13.70053 6.132252 15.98966       13.56771 
1 1 1 -15 31 7  o 22.27921 7.156950 26.06650       17.69724 9.751000       55.67058 27.90062       18.66548 26.02545 11.41161 22.96795 7.347313 3.057501       13.57232 
1 1 1 -15 31 8  f 32.26511 5.612196 54.76743       17.08117 72.98000       57.26505 52.98876       17.89583 34.82552 12.79871 31.57395 6.009986 3.251564       14.13955 
1 1 1 -15 31 9  o 45.23331 6.236500 107.9545       26.87844 97.06000       60.87877 110.5924       29.95621 38.74345 13.29981 45.40435 6.962096 -6.660900      15.01185 
1 1 1 -15 31 10 o 118.3744 3.816078 702.9692       44.15842 0.000000       0.000000 702.9692       44.15842 ?        ?        118.3744 3.816078 ?              ?        
1 1 1 -15 31 11 o 24.11172 8.421512 30.32394       24.45469 48.78000       58.02174 26.33718       26.96693 30.85633 12.45360 23.43273 8.751070 7.423597       15.22082 
1 1 1 -15 31 12 o 43.69490 6.566333 102.1199       27.21631 62.27000       58.83276 112.9698       30.69862 32.72792 12.75107 45.68738 7.094655 -12.95946      14.59191 
1 1 1 -15 31 13 o 24.58822 8.588717 32.12558       25.43574 40.65000       54.73178 29.77732       28.72634 29.19042 11.97730 24.36853 9.045298 4.821894       15.00910 
1 1 1 -15 31 14 o 19.87621 7.063766 19.41014       17.26067 -0.5797000     53.70473 21.71292       18.22777 24.04284 10.83110 20.74666 7.268950 3.296175       13.04417 
1 1 1 -15 31 15 o 39.09164 5.881068 81.17398       21.80680 67.05000       55.01933 83.80624       23.75209 32.85016 12.44963 39.47889 6.362781 -6.628731      13.98135 
1 1 1 -15 31 16 o 19.23220 7.434221 15.43318       19.87824 83.20000       52.72858 4.206383       21.46176 35.57262 12.36978 17.12904 7.294154 18.44358       14.36023 
1 1 1 -15 31 17 o 16.93374 7.152771 5.080520       20.35705 -23.37000      49.90532 10.75943       22.29637 21.03356 9.821443 18.70731 7.656717 2.326246       12.45336 
1 1 1 -15 31 18 o 17.34155 7.044341 9.295533       18.70107 -2.538000      49.99911 11.22027       20.16467 22.93175 10.37927 18.21440 7.345099 4.717352       12.71534 
1 1 1 -15 31 19 o 20.20049 8.791797 5.134303       32.51335 -37.88000      49.66278 37.40000       43.01254 19.71247 9.381994 27.00770 10.78352 -7.295231      14.29357 
1 1 1 -15 31 20 o 32.44749 6.661077 58.06770       20.44669 29.39000       50.00033 63.82631       22.40573 26.49641 11.20187 33.87827 6.988704 -7.381859      13.20317 
1 1 1 -15 31 21 o 29.71585 7.397847 50.15485       21.43386 8.262000       50.50977 59.35543       23.67079 23.94094 10.66495 32.25561 7.619393 -8.314672      13.10711 
1 1 1 -15 31 22 o 25.59764 7.759639 37.35968       21.12401 54.98000       51.88679 33.85899       23.12740 30.12538 11.90320 24.54382 8.199041 5.581558       14.45373 
1 1 1 -15 31 23 f 32.39452 7.858538 60.61660       24.66048 24.66000       54.24518 69.98373       27.68695 26.15218 11.36938 34.58938 8.286479 -8.437195      14.06871 
1 1 1 -15 31 24 o 51.71585 5.496381 141.5304       27.39753 0.000000       0.000000 141.5304       27.39753 ?        ?        51.71585 5.496381 ?              ?        
1 1 1 -15 31 25 o 29.09338 8.592829 50.64083       26.16099 1.190000       54.60315 65.37416       29.80446 23.50552 10.72006 32.76575 9.012395 -9.260231      14.00511 
1 1 1 -15 31 26 o 50.81924 5.300394 136.5305       25.97878 0.000000       0.000000 136.5305       25.97878 ?        ?        50.81924 5.300394 ?              ?        
1 1 1 -15 31 27 o 43.44995 5.183549 99.91543       21.61136 73.86000       54.30545 104.8184       23.55710 32.32936 12.34097 44.27439 5.557954 -11.94503      13.53478 
1 1 1 -15 31 28 o 15.34283 6.708549 0.5120606      19.11931 -65.83000      49.97569 11.88681       20.69356 17.51434 8.585559 18.19572 7.403139 -0.6813831     11.33659 
1 1 1 -15 31 29 o 46.06844 4.828008 111.6217       21.44795 26.38000       54.45523 127.2731       23.33407 25.51803 11.23442 49.15730 4.915341 -23.63927      12.26266 
1 1 1 -15 31 30 o 35.64039 7.530147 74.18937       25.44536 27.03000       53.27676 88.12585       28.96213 25.30634 11.12775 38.60019 7.930841 -13.29384      13.66474 
1 1 1 -15 31 31 o 14.37424 6.380427 -1.828298      17.91501 19.37000       50.34042 -4.902359      19.17002 24.04596 10.68324 14.29703 6.453134 9.748925       12.48097 
1 1 1 -15 31 32 o 19.07177 7.537934 16.21435       20.81387 42.06000       51.47771 11.16333       22.75699 26.81497 11.35274 18.36018 7.645821 8.454790       13.68734 
1 1 1 -15 31 33 o 26.08164 9.504603 42.09076       31.47943 20.60000       50.45313 55.79000       40.28196 24.16641 10.71826 28.81115 10.70800 -4.644741      15.15066 
1 1 1 -15 31 34 o 31.48870 9.588340 65.16592       32.20460 58.64000       51.41254 69.38000       41.31416 28.91575 11.70402 31.27572 10.94451 -2.359972      16.02393 
1 1 1 -15 31 35 o 22.38038 10.16054 7.954000       48.35634 7.954000       48.35634 0.000000       0.000000 22.38038 10.16054 ?        ?        ?              ?        
1 1 1 -15 31 36 o 30.70520 9.559694 62.10267       31.79751 81.04000       49.97355 49.22000       41.21771 32.50934 11.95469 27.33728 10.66652 5.172062       16.02152 
1 1 1 -15 31 37 o 22.61416 9.781066 20.08000       39.73075 0.000000       0.000000 20.08000       39.73075 ?        ?        22.61416 9.781066 ?              ?        
1 1 1 -15 31 38 o 19.60218 8.534272 9.791904       30.65827 17.07000       47.61568 4.638000       40.06907 23.05535 10.30693 20.60899 9.313279 2.446354       13.89136 
1 1 1 -15 31 39 o 20.18978 8.720200 12.70629       31.49167 -60.80000      49.12424 63.99000       41.03206 17.17896 8.439570 29.84786 10.85517 -12.66890      13.74994 
1 1 1 -15 31 40 o 14.92117 7.171819 -29.34876      30.60172 -23.78000      49.34043 -32.83000      39.01134 19.45159 9.283914 16.75186 8.063445 2.699730       12.29676 
1 1 1 -15 31 41 o 21.47170 8.985227 21.90412       31.65569 10.95000       49.82243 29.32000       40.99376 22.28468 10.19245 23.53923 10.05409 -1.254547      14.31680 
1 1 1 -15 31 42 o 38.50068 9.057175 97.47752       33.55788 165.9000       53.09724 51.97000       43.30262 46.67517 11.65738 26.76999 10.77475 19.90519       15.87418 
1 1 1 -15 31 43 o 27.01699 9.628486 51.06568       32.09125 23.48000       48.98301 71.81000       42.47693 23.08300 10.37600 30.17316 11.03371 -7.090160      15.14609 
1 1 1 -15 32 1  o 28.79095 6.148089 44.60588       16.79921 38.68000       57.92445 45.15008       17.55365 29.43993 12.22388 28.88438 6.379231 0.5555496      13.78832 
1 1 1 -15 32 2  o 46.17973 4.386728 108.6900       19.59105 32.43000       60.89687 117.4938       20.69102 28.97788 12.31139 47.99878 4.454818 -19.02090      13.09258 
1 1 1 -15 32 3  o 79.57224 3.438221 316.7709       26.71625 269.6000       69.79346 324.8695       28.91884 67.16395 10.99648 80.45715 3.681821 -13.29321      11.59648 
1 1 1 -15 32 4  f 19.20463 6.775426 17.90410       15.85597 -20.88000      57.57860 21.08659       16.49369 23.09911 10.70538 20.36642 6.924303 2.732685       12.74955 
1 1 1 -15 32 5  o 20.90391 7.275760 21.99947       18.24444 -1.837000      59.67323 24.45738       19.16201 25.12201 11.35788 21.78866 7.462184 3.333349       13.58991 
1 1 1 -15 32 6  o 25.02097 7.221467 34.45470       18.66533 13.18000       57.15074 36.99495       19.74826 26.18422 11.51909 25.85175 7.417748 0.3324699      13.70082 
1 1 1 -15 32 7  o 56.00250 3.882335 158.3944       21.14997 170.8000       60.81050 156.6873       22.55833 51.75296 12.20407 55.56354 4.178343 -3.810581      12.89953 
1 1 1 -15 32 8  o 25.38727 6.828495 35.46715       17.33627 0.000000       0.000000 35.46715       17.33627 ?        ?        25.38727 6.828495 ?              ?        
1 1 1 -15 32 9  o 31.86787 6.131707 54.70061       18.43248 0.000000       0.000000 54.70061       18.43248 ?        ?        31.86787 6.131707 ?              ?        
1 1 1 -15 32 10 o 26.82468 6.560038 39.53310       17.07908 -30.41000      55.70861 46.78910       17.94313 21.70905 10.21312 29.27073 6.438035 -7.561682      12.07295 
1 1 1 -15 32 11 o 56.15831 3.979438 159.8932       21.73301 32.62000       57.98768 180.6921       23.44164 28.14015 11.98663 59.68545 4.036223 -31.54531      12.64794 
1 1 1 -15 32 12 o 51.37134 5.708733 138.8996       28.22141 144.2000       57.52774 137.2198       32.38623 46.66632 12.38862 50.39135 6.734403 -3.725021      14.10071 
1 1 1 -15 32 13 f 11.75972 5.791991 -45.16390      23.62372 -41.75000      49.39692 -46.17625      26.89931 19.46393 9.289644 12.86965 6.306679 6.594274       11.22816 
1 1 1 -15 32 14 o 49.84599 4.600198 127.8432       22.19160 24.33000       53.55909 149.2971       24.38308 26.46018 11.39995 53.85416 4.671715 -27.39398      12.32005 
1 1 1 -15 32 15 o 14.10896 6.298978 -4.275438      17.72109 -24.84000      48.44032 -1.097941      19.04101 20.49708 9.605044 15.21183 6.671872 5.285245       11.69490 
1 1 1 -15 32 16 f 44.42723 5.607399 104.4598       23.84254 89.97000       53.18752 108.1037       26.67259 36.25940 12.43184 44.81365 6.250463 -8.554253      13.91470 
1 1 1 -15 32 17 o 52.27129 7.803943 153.5206       38.70745 102.7000       54.77872 204.2000       54.70258 38.41347 12.61067 58.21591 9.957375 -19.80244      16.06793 
1 1 1 -15 32 18 o 22.83734 7.520017 28.65524       19.47357 19.46000       48.33043 30.43741       21.27718 24.89389 10.77744 23.47747 7.864603 1.416418       13.34186 
1 1 1 -15 32 19 o 18.11051 7.351099 11.02196       20.34719 37.54000       45.88440 4.530956       22.70127 27.04127 11.01567 17.42236 7.462600 9.618908       13.30546 
1 1 1 -15 32 20 o 16.73044 7.083943 5.205221       20.04666 -23.99000      48.94307 11.09050       21.97450 20.46861 9.611739 18.53148 7.594882 1.937138       12.25021 
1 1 1 -15 32 21 o 16.58248 7.345326 -1.626115      23.62132 -35.94000      49.75677 8.357364       26.83850 19.64637 9.361870 19.18334 8.162471 0.4630222      12.42057 
1 1 1 -15 32 22 o 52.12841 5.450477 143.9077       27.40036 158.9000       57.94473 139.5898       31.09677 47.90348 12.29634 50.61621 6.420802 -2.712730      13.87179 
1 1 1 -15 32 23 o 36.16861 6.644056 72.63466       22.65531 20.45000       54.15061 83.70708       24.94325 25.33834 11.17723 38.76687 6.822366 -13.42853      13.09485 
1 1 1 -15 32 24 o 21.22402 8.064196 22.38286       23.12054 0.000000       0.000000 22.38286       23.12054 ?        ?        21.22402 8.064196 ?              ?        
1 1 1 -15 32 25 o 32.27640 7.154627 59.52742       22.00976 95.74000       59.29628 53.74093       23.70311 35.44169 13.02396 30.17278 7.925104 5.268908       15.24568 
1 1 1 -15 32 26 o 19.51015 7.764459 16.23609       22.22748 0.000000       0.000000 16.23609       22.22748 ?        ?        19.51015 7.764459 ?              ?        
1 1 1 -15 32 27 o 21.13124 8.803183 17.37878       30.18485 -0.1392000     48.38565 28.54000       38.62162 21.94206 10.03901 24.15036 10.00038 -2.208300      14.17002 
1 1 1 -15 32 28 o 21.69441 7.404744 26.45215       18.86473 50.57000       47.08715 21.84090       20.58934 27.97123 11.24358 20.51083 7.649212 7.460400       13.59884 
1 1 1 -15 32 29 o 28.78762 8.324165 50.84772       24.77928 6.887000       49.53411 65.52059       28.61735 22.59773 10.26878 32.35460 8.803600 -9.756868      13.52594 
1 1 1 -15 32 30 o 25.48307 8.506866 39.55470       24.89727 20.49000       50.34869 45.72546       28.64457 24.06892 10.68931 26.95855 9.125543 -2.889626      14.05478 
1 1 1 -15 32 31 o 17.73769 7.281662 11.09635       20.24217 -9.709000      49.28519 15.31809       22.20111 20.98764 9.786819 19.12033 7.708259 1.867313       12.45789 
1 1 1 -15 32 32 o 14.24232 6.881100 -33.45314      29.05359 -19.74000      47.37437 -41.72000      36.78284 19.71578 9.318821 15.73239 7.634601 3.983391       12.04689 
1 1 1 -15 32 33 o 23.51563 9.236260 30.86671       31.07610 17.82000       48.60101 39.89000       40.41821 23.45065 10.45306 25.73199 10.39103 -2.281347      14.73906 
1 1 1 -15 32 34 o 23.89788 10.58976 21.95000       49.14269 21.95000       49.14269 0.000000       0.000000 23.89788 10.58976 ?        ?        ?              ?        
1 1 1 -15 32 35 o 14.84007 7.113882 -28.34549      29.66033 14.08000       46.40908 -57.64000      38.56405 22.67545 10.15349 15.08264 7.423094 7.592807       12.57758 
1 1 1 -15 32 36 o 24.47276 10.19332 33.04000       40.45967 0.000000       0.000000 33.04000       40.45967 ?        ?        24.47276 10.19332 ?              ?        
1 1 1 -15 32 37 o 19.91462 8.598212 12.17918       30.59476 21.25000       47.64410 5.814000       39.91087 23.44490 10.40599 20.65903 9.319177 2.785872       13.96895 
1 1 1 -15 32 38 o 19.19286 8.457409 7.100471       30.92656 -23.82000      49.44552 26.97000       39.63672 19.53993 9.317121 23.35774 9.928402 -3.817804      13.61550 
1 1 1 -15 32 39 o 17.64512 8.051378 -3.430089      30.85065 51.66000       50.04406 -37.20000      39.18147 27.09030 11.31410 16.41072 7.943779 10.67957       13.82435 
1 1 1 -15 32 40 o 17.32764 7.952386 -4.913822      30.67897 -18.34000      47.56577 4.650000       40.14524 19.33199 9.195478 20.23382 9.214021 -0.9018288     13.01749 
1 1 1 -15 32 41 o 15.88527 7.469684 -14.65399      29.73612 -10.96000      46.23454 -17.26000      38.83353 19.51153 9.217390 17.68328 8.381484 1.828257       12.45831 
1 1 1 -15 32 42 o 18.01084 8.185697 1.093248       31.49111 -7.965000      47.35131 8.277000       42.16825 19.77222 9.336770 20.55902 9.393209 -0.7867985     13.24416 
1 1 1 -15 33 1  o 38.76093 5.019492 78.30950       18.59733 2.100000       55.82549 87.82283       19.72396 24.47216 11.03206 41.08316 5.008211 -16.61100      12.11563 
1 1 1 -15 33 2  o 58.90209 3.872683 175.6009       22.20409 131.5000       60.08566 182.5758       23.89555 43.70125 13.05132 59.94841 4.096861 -16.24715      13.67922 
1 1 1 -15 33 3  o 22.55685 7.356571 27.50095       18.65568 117.7000       55.52321 16.02206       19.80722 41.75497 12.56363 19.34819 7.436182 22.40678       14.59937 
1 1 1 -15 33 4  o 15.42529 6.552997 3.030574       17.25057 14.77000       55.52563 1.776427       18.14865 25.70732 11.33000 15.48614 6.653543 10.22118       13.13920 
1 1 1 -15 33 5  o 21.31405 6.927279 24.25135       16.54940 37.48000       56.10330 22.99057       17.32009 28.44717 11.93686 20.96260 7.095982 7.484570       13.88674 
1 1 1 -15 33 6  o 39.73777 4.961495 82.18118       18.87913 57.38000       57.32450 85.19846       19.99459 31.22697 12.45536 40.36533 5.179784 -9.138355      13.48948 
1 1 1 -15 33 7  o 20.56153 7.119527 21.74186       17.45858 0.000000       0.000000 21.74186       17.45858 ?        ?        20.56153 7.119527 ?              ?        
1 1 1 -15 33 8  o 52.78807 4.317077 142.4923       22.11186 0.000000       0.000000 142.4923       22.11186 ?        ?        52.78807 4.317077 ?              ?        
1 1 1 -15 33 9  o 28.92890 6.480314 46.02435       17.89346 73.52000       53.69323 42.58924       18.97831 33.51772 12.38009 27.60055 7.011982 5.917168       14.22795 
1 1 1 -15 33 10 o 30.96552 6.203327 52.20510       18.14636 -45.54000      52.64407 65.38492       19.33110 19.79281 9.485267 34.91827 5.863465 -15.12547      11.15126 
1 1 1 -15 33 11 o 43.69591 4.688200 98.83464       19.73861 61.86000       54.48765 104.4198       21.17700 31.47224 12.26851 44.81102 4.908279 -13.33878      13.21391 
1 1 1 -15 33 12 o 37.36342 5.597713 74.30076       19.84262 38.35000       54.36541 79.82597       21.31293 28.02323 11.75420 38.63241 5.816424 -10.60918      13.11457 
1 1 1 -15 33 13 o 38.12687 7.536827 82.02098       27.12982 -6.526000      53.40024 112.8275       31.49761 22.93851 10.51419 44.95867 7.415770 -22.02016      12.86630 
1 1 1 -15 33 14 o 22.85207 8.509319 26.74558       25.46097 -28.03000      48.81905 47.21133       29.84074 20.17505 9.512786 28.19015 9.310139 -8.015097      13.31059 
1 1 1 -15 33 15 o 30.98543 9.885036 59.37398       33.80400 12.50000       48.57305 103.4000       47.07433 24.00219 10.58697 39.38779 11.49788 -15.38560      15.62962 
1 1 1 -15 33 16 o 40.96340 5.243007 88.47489       20.54110 47.89000       48.20679 97.47838       22.70552 28.74602 11.43637 42.84901 5.543354 -14.10299      12.70903 
1 1 1 -15 33 17 o 27.07471 8.122317 42.67026       23.23169 -23.89000      46.97575 64.21983       26.72917 20.03947 9.412227 33.06602 8.278157 -13.02655      12.53467 
1 1 1 -15 33 18 o 83.75465 5.004553 365.0620       40.84090 0.000000       0.000000 365.0620       40.84090 ?        ?        83.75465 5.004553 ?              ?        
1 1 1 -15 33 19 o 20.43102 7.655346 20.45030       20.67155 42.33000       49.06296 15.72801       22.79341 27.67477 11.34604 19.66418 7.850458 8.010592       13.79718 
1 1 1 -15 33 20 o 38.65448 7.011217 83.87367       25.55107 77.68000       50.70820 85.98139       29.58083 33.29334 12.07331 38.32291 8.137523 -5.029568      14.55967 
1 1 1 -15 33 21 o 50.03838 4.893180 131.1138       23.66031 116.6000       55.14083 134.3891       26.19429 39.87112 12.61385 50.31287 5.403469 -10.44176      13.72249 
1 1 1 -15 33 22 o 25.28934 7.725865 37.26967       20.88608 57.60000       52.47545 33.44276       22.76713 29.68441 11.89103 24.10246 8.135720 5.581953       14.40786 
1 1 1 -15 33 23 o 16.56739 7.294152 0.3827337      22.95764 0.000000       0.000000 0.3827337      22.95764 ?        ?        16.56739 7.294152 ?              ?        
1 1 1 -15 33 24 o 30.41219 7.505927 54.13266       22.20610 -42.73000      53.57816 74.22262       24.40052 19.52510 9.411294 36.00209 7.176104 -16.47699      11.83507 
1 1 1 -15 33 25 o 50.35921 4.862795 133.6051       23.67237 178.3000       58.10705 124.7110       25.92093 50.15929 11.99689 48.08965 5.612090 2.069649       13.24466 
1 1 1 -15 33 26 o 37.53554 6.003551 77.64781       21.31458 -0.9791000     52.55064 93.12987       23.31882 22.30285 10.29788 41.19903 5.955040 -18.89618      11.89575 
1 1 1 -15 33 27 o 34.67782 6.251962 67.20811       20.44088 52.28000       51.49414 70.00037       22.27069 28.11526 11.58548 35.07135 6.732187 -6.956091      13.39946 
1 1 1 -15 33 28 o 30.14885 9.243513 58.60411       29.86332 0.000000       0.000000 58.60411       29.86332 ?        ?        30.14885 9.243513 ?              ?        
1 1 1 -15 33 29 o 25.59488 9.685043 40.10228       33.26671 -23.61000      51.26376 86.45000       43.72331 20.16147 9.577479 34.59005 11.26100 -14.42858      14.78304 
1 1 1 -15 33 30 o 15.18647 6.730033 -0.7572878     19.85204 -10.14000      48.96262 1.088606       21.71720 20.75778 9.704323 16.10023 7.091193 4.657551       12.01910 
1 1 1 -15 33 31 o 28.01113 9.620312 51.40037       31.85432 -49.26000      50.05795 119.9000       41.29409 18.12153 8.819656 42.51763 10.07715 -24.39610      13.39162 
1 1 1 -15 33 32 o 29.64878 11.77155 65.26000       50.97399 65.26000       50.97399 0.000000       0.000000 29.64878 11.77155 ?        ?        ?              ?        
1 1 1 -15 33 33 o 16.48428 7.687667 -13.89388      30.42352 -31.94000      46.91518 -0.7978000     39.96613 18.60121 8.924793 20.02404 9.147212 -1.422829      12.77981 
1 1 1 -15 33 34 o 25.86897 10.45964 41.72000       41.01193 0.000000       0.000000 41.72000       41.01193 ?        ?        25.86897 10.45964 ?              ?        
1 1 1 -15 33 35 o 26.22218 10.48051 44.85000       40.67075 0.000000       0.000000 44.85000       40.67075 ?        ?        26.22218 10.48051 ?              ?        
1 1 1 -15 33 36 o 16.15135 7.581852 -16.21427      30.40904 1.974000       48.45760 -28.03000      39.05680 21.49287 9.911310 17.16864 8.212191 4.324226       12.87145 
1 1 1 -15 33 37 o 16.90291 7.828166 -9.485029      30.70585 14.90000       49.47745 -24.76000      39.15939 22.73311 10.30360 17.38068 8.288654 5.352428       13.22369 
1 1 1 -15 33 38 o 30.72168 9.669306 65.31688       32.44053 45.38000       51.05098 78.82000       42.01385 26.08620 11.18264 32.09763 11.04754 -6.011429      15.71940 
1 1 1 -15 33 39 o 18.47739 8.250240 5.075852       30.41006 -12.97000      47.01122 18.06000       39.87673 19.53980 9.249750 21.64638 9.568217 -2.106573      13.30822 
1 1 1 -15 33 40 o 39.14365 8.996957 101.5316       33.74860 38.28000       50.19868 153.7000       45.58906 24.64052 10.81934 46.66659 10.26038 -22.02607      14.91085 
1 1 1 -15 34 1  o 42.99177 4.809317 96.06006       19.89197 57.90000       55.33996 101.7221       21.31669 30.79790 12.25311 44.13989 5.023067 -13.34199      13.24273 
1 1 1 -15 34 2  o 35.99363 6.383774 70.62218       21.66753 67.99000       54.11567 71.12473       23.64564 32.31786 12.32356 35.76888 7.004416 -3.451012      14.17504 
1 1 1 -15 34 3  o 17.79984 7.104802 11.47599       18.66552 -42.51000      52.66715 19.23083       19.96115 19.91998 9.530411 20.12488 7.526337 -0.2048969     12.14391 
1 1 1 -15 34 4  o 31.55809 6.216204 54.37554       18.51836 71.97000       55.84428 52.20176       19.62902 32.88210 12.52361 30.65278 6.727209 2.229317       14.21605 
1 1 1 -15 34 5  o 59.12041 4.936676 181.4665       28.30737 0.000000       0.000000 181.4665       28.30737 ?        ?        59.12041 4.936676 ?              ?        
1 1 1 -15 34 6  o 64.34564 4.115931 211.1152       25.78756 0.000000       0.000000 211.1152       25.78756 ?        ?        64.34564 4.115931 ?              ?        
1 1 1 -15 34 7  o 23.22499 7.031208 29.99547       17.35203 32.31000       54.23667 29.73155       18.31464 27.16583 11.58270 23.14004 7.262777 4.025797       13.67139 
1 1 1 -15 34 8  o 25.71000 6.829905 37.04586       17.47736 32.58000       53.26302 37.58472       18.50177 27.06696 11.50725 25.80958 7.101463 1.257381       13.52211 
1 1 1 -15 34 9  o 18.30974 6.957917 14.85262       17.21367 42.96000       52.32260 11.44117       18.22839 28.32032 11.67498 17.64061 7.027781 10.67971       13.62699 
1 1 1 -15 34 10 o 14.80913 6.374136 1.586740       16.71346 -1.862000      50.70361 2.007148       17.70288 22.78378 10.36737 15.26590 6.565288 7.517881       12.27132 
1 1 1 -15 34 11 o 30.10126 6.528298 50.26601       18.68008 27.48000       51.25560 53.75609       20.05973 26.08883 11.19479 31.01292 6.796202 -4.924088      13.09624 
1 1 1 -15 34 12 o 26.65838 7.322632 40.54284       19.69102 -47.90000      50.11778 56.68766       21.41298 18.89492 9.106225 31.70258 7.079557 -12.80766      11.53445 
1 1 1 -15 34 13 o 19.22040 8.604080 -1.809174      33.30161 -26.56000      48.37844 20.48000       45.90965 20.07699 9.467531 24.48394 10.55157 -4.406950      14.17638 
1 1 1 -15 34 14 o 27.54928 8.740478 45.10772       26.45922 69.48000       50.54640 35.90869       31.05368 32.11290 11.98328 25.33393 9.404402 6.778965       15.23292 
1 1 1 -15 34 15 o 50.59517 5.881289 137.2974       28.58427 98.88000       53.07803 152.9904       33.92371 37.14111 12.42127 52.76214 6.720976 -15.62104      14.12301 
1 1 1 -15 34 16 f 18.28977 7.220949 13.59356       19.08115 -15.38000      46.80936 19.36743       20.89609 20.55757 9.570034 20.14062 7.663172 0.4169540      12.26009 
1 1 1 -15 34 17 o 27.11333 8.137727 43.42941       23.31584 47.56000       47.95739 42.15085       26.68145 28.21391 11.34496 26.58971 8.804382 1.624201       14.36055 
1 1 1 -15 34 18 o 30.73114 8.880659 57.84156       28.21122 60.60000       48.48859 56.43000       34.68633 30.22494 11.63005 29.77280 10.04202 0.4521332      15.36555 
1 1 1 -15 34 19 o 27.65417 8.321775 45.88698       24.35895 32.09000       48.58448 50.51976       28.15310 25.83703 10.98752 28.64132 9.006777 -2.804293      14.20731 
1 1 1 -15 34 20 o 13.22714 6.229908 -17.30987      20.83461 1.968000       47.33950 -21.94098      23.20259 22.14338 10.05302 13.56750 6.444597 8.575888       11.94136 
1 1 1 -15 34 21 o 24.19481 8.308460 34.07972       23.75892 0.000000       0.000000 34.07972       23.75892 ?        ?        24.19481 8.308460 ?              ?        
1 1 1 -15 34 22 o 28.54840 8.323442 49.60909       24.68260 0.000000       0.000000 49.60909       24.68260 ?        ?        28.54840 8.323442 ?              ?        
1 1 1 -15 34 23 f 30.36047 7.575214 54.64453       22.43737 5.809000       51.61628 66.02248       24.91442 22.78306 10.40288 33.30039 7.783937 -10.51733      12.99267 
1 1 1 -15 34 24 o 31.70593 7.309784 58.87332       22.22135 83.04000       53.35080 53.80079       24.44246 32.80400 12.29696 29.69770 8.158777 3.106308       14.75740 
1 1 1 -15 34 25 o 58.86986 4.388273 180.6216       25.10484 107.6000       57.98676 197.4658       27.85025 36.14635 12.93602 61.31713 4.675503 -25.17078      13.75503 
1 1 1 -15 34 26 o 18.96441 7.483126 16.31422       20.48160 -44.45000      50.58791 28.22760       22.39960 18.55490 8.992307 22.28358 8.031962 -3.728683      12.05711 
1 1 1 -15 34 27 o 29.15122 7.257822 50.04147       20.62902 8.564000       51.54300 57.95273       22.51056 22.88577 10.42891 31.28852 7.456378 -8.402746      12.82028 
1 1 1 -15 34 28 o 38.77652 7.363973 87.98389       26.92852 29.44000       51.30858 110.2405       31.63580 24.92926 10.94246 43.10898 7.783664 -18.17972      13.42843 
1 1 1 -15 34 29 o 21.49515 7.438975 26.29952       19.05940 -47.13000      48.45919 39.73711       20.73010 17.90767 8.706956 25.68473 7.664896 -7.777063      11.60007 
1 1 1 -15 34 30 o 15.71949 7.647304 -43.43000      37.52392 0.000000       0.000000 -43.43000      37.52392 ?        ?        15.71949 7.647304 ?              ?        
1 1 1 -15 34 31 o 31.96367 11.98172 80.09000       50.65001 80.09000       50.65001 0.000000       0.000000 31.96367 11.98172 ?        ?        ?              ?        
1 1 1 -15 34 32 o 17.72761 8.062381 -3.471523      30.61328 -47.93000      47.20018 28.81000       40.22012 17.54478 8.544624 23.75417 10.04484 -6.209385      13.18747 
1 1 1 -15 34 33 o 24.69549 10.30541 35.33000       41.46798 0.000000       0.000000 35.33000       41.46798 ?        ?        24.69549 10.30541 ?              ?        
1 1 1 -15 34 34 o 14.79875 7.108703 -28.65785      29.96218 -25.89000      46.94722 -30.56000      38.91888 18.87413 9.021345 16.90251 8.114721 1.971619       12.13398 
1 1 1 -15 34 35 o 31.34608 9.624771 66.77007       32.36264 64.86000       51.45692 68.02000       41.62588 29.06264 11.72855 30.28420 10.94477 -1.221556      16.04204 
1 1 1 -15 34 36 o 19.19494 8.439576 8.875666       30.63815 14.55000       49.16898 5.274000       39.17287 22.49762 10.22626 20.19880 9.160159 2.298817       13.72898 
1 1 1 -15 34 37 o 16.25758 7.597365 -12.23914      29.95922 -18.13000      46.95365 -8.194000      38.90874 19.16037 9.120156 18.61236 8.684685 0.5480042      12.59369 
1 1 1 -15 34 38 o 16.35624 7.630242 -10.51409      30.00696 7.205000       46.47651 -23.18000      39.29443 21.06510 9.711370 17.22317 8.237964 3.841938       12.73479 
1 1 1 -15 34 39 o 15.78518 7.446691 -15.28157      29.98508 -26.11000      46.28289 -7.449000      39.36317 18.20489 8.767924 18.52413 8.673406 -0.3192348     12.33306 
1 1 1 -15 35 1  o 21.41348 7.948278 23.08961       22.18079 47.84000       50.35098 17.13000       24.70734 28.73887 11.60043 20.42512 8.166978 8.313757       14.18695 
1 1 1 -15 35 2  o 34.97008 6.112411 66.55643       20.16131 26.60000       50.17224 74.25096       22.01716 25.80327 11.07411 36.84842 6.332464 -11.04515      12.75680 
1 1 1 -15 35 3  o 17.68673 6.938725 12.47851       17.52101 -41.25000      48.97815 20.36326       18.76264 19.08878 9.148190 20.15468 7.338867 -1.065901      11.72810 
1 1 1 -15 35 4  o 53.47726 4.560986 147.8348       23.64684 0.000000       0.000000 147.8348       23.64684 ?        ?        53.47726 4.560986 ?              ?        
1 1 1 -15 35 5  o 28.74597 6.935153 46.65083       19.28732 0.000000       0.000000 46.65083       19.28732 ?        ?        28.74597 6.935153 ?              ?        
1 1 1 -15 35 6  o 47.44535 4.564379 116.6027       20.93610 44.98000       51.80547 130.5835       22.88844 28.34007 11.64320 50.13678 4.719457 -21.79671      12.56333 
1 1 1 -15 35 7  o 43.81433 4.802299 100.1744       20.25841 26.83000       49.74978 114.7536       22.18067 25.71351 11.03134 46.86008 4.908514 -21.14658      12.07411 
1 1 1 -15 35 8  o 39.86715 5.173790 83.96916       19.71398 49.54000       49.69778 90.39834       21.47590 28.82284 11.56309 41.22102 5.456516 -12.39817      12.78588 
1 1 1 -15 35 9  o 25.82975 7.134868 38.02729       18.63524 26.60000       48.62648 39.99450       20.17561 25.48147 10.91844 26.35640 7.476528 -0.8749256     13.23295 
1 1 1 -15 35 10 o 44.47352 4.839540 103.4490       20.72806 30.84000       49.72966 118.7162       22.80337 26.10008 11.10842 47.59139 4.968221 -21.49131      12.16882 
1 1 1 -15 35 11 o 21.13548 8.963100 13.85217       32.17706 34.31000       47.94317 -2.916000      43.40501 26.31573 11.03807 21.11224 9.601089 5.203495       14.62942 
1 1 1 -15 35 12 f 32.42536 6.662123 58.90856       20.43709 66.91000       51.01334 57.37882       22.30531 31.29276 11.95718 31.57563 7.354336 -0.2828732     14.03782 
1 1 1 -15 35 13 o 37.34435 5.955845 75.87289       21.04004 -7.991000      50.69664 93.32330       23.12568 21.85553 10.09959 41.55464 5.846978 -19.69911      11.67000 
1 1 1 -15 35 14 o 40.81697 5.432337 89.05116       21.16532 49.02000       50.54374 97.56343       23.30725 28.40164 11.56458 42.54549 5.743231 -14.14385      12.91218 
1 1 1 -15 35 15 o 18.09276 7.816014 5.499900       25.30943 18.46000       48.61569 0.6814377      29.64330 24.13033 10.61955 18.43714 8.194281 5.693192       13.41346 
1 1 1 -15 35 16 o 24.76572 8.654470 35.86764       25.82834 -19.76000      49.00467 57.26429       30.39241 20.39897 9.591200 30.16998 9.338456 -9.771015      13.38648 
1 1 1 -15 35 17 o 28.20325 8.171517 47.73667       23.85687 7.657000       49.64080 59.77395       27.20451 23.01386 10.38625 31.27040 8.613977 -8.256538      13.49351 
1 1 1 -15 35 18 o 28.54893 8.233880 49.33209       24.27375 25.39000       48.13551 57.49678       28.10957 24.69874 10.72399 30.38583 8.889058 -5.687092      13.92908 
1 1 1 -15 35 19 o 17.16203 7.254085 7.310390       20.96094 -8.068000      47.17150 11.09396       23.39781 20.89437 9.685716 18.54186 7.739511 2.352510       12.39811 
1 1 1 -15 35 20 o 19.18484 7.940924 13.56876       24.33834 0.000000       0.000000 13.56876       24.33834 ?        ?        19.18484 7.940924 ?              ?        
1 1 1 -15 35 21 o 35.80090 6.876359 73.36384       23.22114 -32.59000      49.30096 103.5709       26.32397 19.15642 9.179987 43.03078 6.448148 -23.87436      11.21832 
1 1 1 -15 35 22 o 15.17593 6.868213 -4.980976      21.88730 -4.494000      49.81086 -5.097499      24.36558 21.42232 9.938237 15.93662 7.226103 5.485701       12.28760 
1 1 1 -15 35 23 o 51.82234 5.078036 143.2918       25.42811 109.8000       57.61473 151.3937       28.33732 36.34642 12.90666 52.85450 5.560548 -16.50808      14.05352 
1 1 1 -15 35 24 o 13.87669 6.466746 -12.96440      21.46313 -49.21000      50.50833 -4.976985      23.71039 18.21515 8.863871 15.73352 7.131734 2.481631       11.37672 
1 1 1 -15 35 25 o 24.39755 7.917884 35.70096       21.62536 37.37000       49.55006 35.30825       24.03523 25.82595 11.04282 24.22938 8.355227 1.596567       13.84751 
1 1 1 -15 35 26 o 28.18678 7.438959 47.56583       20.81994 78.26000       48.73759 40.71424       23.02672 31.87438 11.79101 25.73392 8.152548 6.140455       14.33499 
1 1 1 -15 35 27 o 22.65984 8.390442 29.55847       24.68983 -27.84000      47.55779 50.73651       28.88779 19.00154 9.081585 27.98428 9.156102 -8.982733      12.89610 
1 1 1 -15 35 28 f 25.14537 8.404478 39.13824       24.30040 28.96000       48.41329 42.56618       28.09605 24.44871 10.68292 25.88576 9.027708 -1.437046      13.98658 
1 1 1 -15 35 29 o 23.88714 8.379755 34.55539       24.22933 33.02000       49.08628 35.05000       27.85989 24.98476 10.83890 24.05991 8.912099 0.9248486      14.03236 
1 1 1 -15 35 30 o 19.81721 9.328605 -14.23000      46.59903 -14.23000      46.59903 0.000000       0.000000 19.81721 9.328605 ?        ?        ?              ?        
1 1 1 -15 35 31 o 18.18548 8.170684 1.155340       30.33426 -17.73000      47.63274 14.04000       39.34410 19.62971 9.297743 21.47979 9.498897 -1.850080      13.29199 
1 1 1 -15 35 32 o 21.05872 9.421822 10.49000       39.87341 0.000000       0.000000 10.49000       39.87341 ?        ?        21.05872 9.421822 ?              ?        
1 1 1 -15 35 33 o 21.95251 10.10093 6.193000       49.93790 6.193000       49.93790 0.000000       0.000000 21.95251 10.10093 ?        ?        ?              ?        
1 1 1 -15 35 34 o 20.46774 8.846683 15.44136       32.45845 -42.41000      49.73263 58.37000       42.84086 18.08682 8.800091 28.05640 10.89500 -9.969587      14.00509 
1 1 1 -15 35 35 o 14.79986 7.125203 -28.66555      30.49479 -49.09000      48.99502 -15.75000      38.96128 17.45951 8.546618 17.91583 8.462910 -0.4563198     12.02770 
1 1 1 -15 35 36 o 20.93975 8.821691 21.31289       30.83381 -29.72000      47.37037 58.83000       40.61593 18.24775 8.808936 27.78154 10.65584 -9.533792      13.82549 
1 1 1 -15 35 37 o 16.44176 7.668756 -9.787378      30.28866 -34.86000      46.43733 8.777000       39.95835 17.64346 8.565775 20.27744 9.217757 -2.633986      12.58330 
1 1 1 -15 36 1  o 41.45708 5.547894 92.08519       21.94837 52.63000       49.64989 101.6682       24.46907 28.95990 11.57808 43.33745 5.923140 -14.37756      13.00521 
1 1 1 -15 36 2  o 51.76915 4.881376 140.3607       24.44343 40.59000       51.55466 169.2924       27.76222 27.32293 11.45246 56.76225 5.049405 -29.43933      12.51620 
1 1 1 -15 36 3  o 18.82747 7.294957 15.75476       19.17410 0.000000       0.000000 15.75476       19.17410 ?        ?        18.82747 7.294957 ?              ?        
1 1 1 -15 36 4  o 30.48163 6.614952 52.20226       19.16856 16.45000       50.07534 58.34054       20.74893 24.19334 10.70676 32.15535 6.804825 -7.962017      12.68623 
1 1 1 -15 36 5  o 60.19621 3.985005 185.4965       23.34816 132.5000       54.31594 197.5087       25.85917 42.99986 12.29035 61.90559 4.294165 -18.90573      13.01893 
1 1 1 -15 36 6  o 25.62049 7.289957 37.87096       19.15199 -6.139000      48.18723 46.12725       20.87129 21.55541 9.919695 28.17150 7.454331 -6.616085      12.40836 
1 1 1 -15 36 7  o 43.10816 4.998186 97.99329       20.69966 -19.63000      50.33212 121.9374       22.70901 20.74389 9.742952 48.21312 4.879098 -27.46923      10.89636 
1 1 1 -15 36 8  o 35.39107 5.876816 68.24075       19.64459 50.55000       49.86417 71.49091       21.37310 28.54043 11.53567 35.98113 6.297879 -7.440699      13.14287 
1 1 1 -15 36 9  o 25.88122 9.561204 39.64827       32.02813 62.39000       47.62473 20.87000       43.27613 30.34874 11.56372 23.74041 10.23790 6.608334       15.44455 
1 1 1 -15 36 10 o 47.51000 4.879827 118.6962       22.37096 -5.949000      49.04810 151.4372       25.13796 21.59640 9.963516 53.74734 4.829674 -32.15094      11.07237 
1 1 1 -15 36 11 f 43.86807 5.162755 102.2193       21.74453 57.16000       49.15460 113.1824       24.24592 29.34904 11.58897 45.94949 5.499908 -16.60045      12.82783 
1 1 1 -15 36 12 f 33.07706 6.785515 61.94813       21.23180 13.08000       48.05141 73.80361       23.66752 23.34200 10.39990 36.06205 6.957039 -12.72005      12.51233 
1 1 1 -15 36 13 o 22.18591 7.610852 27.60982       19.93525 6.227000       46.85501 32.33615       22.02853 22.38556 10.09776 23.65794 8.002616 -1.272387      12.88436 
1 1 1 -15 36 14 o 14.12052 6.410278 -6.324722      19.24433 -4.615000      47.78365 -6.655725      21.02481 21.35627 9.846099 14.71311 6.687534 6.643158       11.90247 
1 1 1 -15 36 15 o 23.90701 9.454643 31.10487       32.76238 33.86000       47.93729 28.69000       44.87970 25.61835 10.90499 24.66034 10.52602 0.9580116      15.15638 
1 1 1 -15 36 16 o 35.11661 9.766748 80.81630       34.78761 53.13000       49.94706 106.9000       48.47995 28.27935 11.50307 38.07822 11.79569 -9.798870      16.47602 
1 1 1 -15 36 17 o 20.99159 7.767176 23.73080       21.15126 4.967000       47.92344 28.27012       23.57126 22.06254 10.05465 22.39485 8.214477 -0.3323135     12.98359 
1 1 1 -15 36 18 o 21.17077 8.601624 20.77699       27.89031 0.000000       0.000000 20.77699       27.89031 ?        ?        21.17077 8.601624 ?              ?        
1 1 1 -15 36 19 o 36.97626 9.092078 86.99531       32.67354 0.000000       0.000000 86.99531       32.67354 ?        ?        36.97626 9.092078 ?              ?        
1 1 1 -15 36 20 o 14.23375 6.608274 -11.77367      22.08642 -40.29000      46.96443 -3.675997      25.02662 18.04973 8.727457 16.28662 7.360137 1.763103       11.41666 
1 1 1 -15 36 21 f 53.39059 5.001150 151.7967       25.83190 78.40000       52.20890 175.5893       29.72537 31.67775 12.09840 57.09172 5.382750 -25.41397      13.24180 
1 1 1 -15 36 22 o 33.73467 7.388790 67.15394       23.72130 -2.423000      48.77465 88.70967       27.14832 21.35645 9.882103 38.90845 7.398735 -17.55199      12.34493 
1 1 1 -15 36 23 o 19.50409 7.742697 17.76203       22.05002 3.077000       49.28841 21.43644       24.65479 21.85123 10.04728 20.73309 8.201042 1.118139       12.96939 
1 1 1 -15 36 24 o 44.13356 5.561171 106.2882       23.49153 138.5000       52.93470 98.38844       26.21430 42.50880 12.12759 41.54871 6.671527 0.9600868      13.84152 
1 1 1 -15 36 25 o 34.13326 6.782404 67.26202       21.86168 133.3000       51.33443 52.63176       24.16228 41.90387 11.93890 29.10495 8.156210 12.79892       14.45895 
1 1 1 -15 36 26 o 22.64200 7.632547 30.29289       20.03807 7.657000       48.19930 35.02262       22.03230 22.03013 10.05663 24.02072 8.002087 -1.990589      12.85182 
1 1 1 -15 36 27 o 20.57928 8.154182 21.24687       24.41267 -14.39000      47.99933 33.68208       28.35385 20.00366 9.432159 23.70309 8.947572 -3.699432      13.00095 
1 1 1 -15 36 28 o 17.29798 7.480590 6.163088       23.23250 -37.51000      46.76942 20.47000       26.76875 18.05697 8.725683 20.72329 8.424276 -2.666319      12.12873 
1 1 1 -15 36 29 o 26.52417 9.508567 46.62140       31.34397 96.46000       48.58082 11.08000       41.02506 34.74836 11.88221 21.29214 9.539297 13.45622       15.23762 
1 1 1 -15 36 30 o 23.99241 10.09591 32.41000       40.30945 0.000000       0.000000 32.41000       40.30945 ?        ?        23.99241 10.09591 ?              ?        
1 1 1 -15 36 31 o 14.56880 7.034250 -31.74908      30.24002 -25.98000      50.22367 -35.03000      37.87504 19.34133 9.267773 16.26243 7.856980 3.078894       12.15005 
1 1 1 -15 36 32 f 24.56723 9.440472 38.83231       31.91985 15.52000       50.83138 54.01000       41.01495 22.68060 10.34359 27.30402 10.64406 -4.623421      14.84203 
1 1 1 -15 36 33 o 15.53492 7.380455 -20.38202      30.45769 4.209000       49.13263 -35.73000      38.81568 21.29750 9.876883 16.27044 7.883203 5.027060       12.63716 
1 1 1 -15 36 34 f 16.14743 7.824364 -34.45000      38.26234 0.000000       0.000000 -34.45000      38.26234 ?        ?        16.14743 7.824364 ?              ?        
1 1 1 -15 36 35 o 16.85224 8.243526 -43.55000      45.34146 -43.55000      45.34146 0.000000       0.000000 16.85224 8.243526 ?        ?        ?              ?        
1 1 1 -15 36 36 o 19.83114 9.310102 -1.933000      45.87058 -1.933000      45.87058 0.000000       0.000000 19.83114 9.310102 ?        ?        ?              ?        
1 1 1 -15 37 1  f 47.16951 4.981650 117.5192       22.65364 0.000000       0.000000 117.5192       22.65364 ?        ?        47.16951 4.981650 ?              ?        
1 1 1 -15 37 2  o 30.04905 7.090837 52.06113       20.51757 0.000000       0.000000 52.06113       20.51757 ?        ?        30.04905 7.090837 ?              ?        
1 1 1 -15 37 3  o 18.01318 7.154070 13.24307       18.83292 -10.77000      44.30864 18.53778       20.80584 20.22750 9.380254 19.75254 7.613580 0.4749508      12.08121 
1 1 1 -15 37 4  o 19.98771 7.190700 20.94417       17.94303 9.029000       44.39981 23.26995       19.61621 22.30409 9.963212 20.86932 7.517138 1.434774       12.48090 
1 1 1 -15 37 5  o 26.71598 7.087798 41.32256       18.83780 8.913000       46.11832 47.81281       20.63799 22.53698 10.10426 28.62184 7.333964 -6.084858      12.48531 
1 1 1 -15 37 6  o 32.07661 6.720467 58.35725       20.42394 -45.21000      47.87683 81.39754       22.58178 18.20190 8.803651 38.37834 6.224294 -20.17644      10.78175 
1 1 1 -15 37 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -15 37 8  o 15.82266 6.729740 4.788275       18.23065 -54.11000      46.17634 15.66402       19.84256 17.21850 8.400236 18.78562 7.379836 -1.567120      11.18150 
1 1 1 -15 37 9  o 17.17935 7.105443 9.363631       19.46620 5.903000       45.78534 10.12721       21.50683 22.00384 9.948405 17.86890 7.436360 4.134939       12.42056 
1 1 1 -15 37 10 o 41.55244 5.506747 93.33426       21.84657 34.10000       49.23276 107.8575       24.37811 25.65748 10.98992 44.54289 5.723445 -18.88542      12.39097 
1 1 1 -15 37 11 o 19.27476 7.440788 17.78421       19.89406 -5.132000      47.32423 22.70318       21.92548 21.05334 9.739112 20.84065 7.867919 0.2126942      12.52016 
1 1 1 -15 37 12 o 29.20709 7.352559 50.43641       21.00241 71.13000       47.98862 45.53365       23.35825 31.02234 11.65557 27.28194 8.135012 3.740402       14.21375 
1 1 1 -15 37 13 o 29.58580 7.339257 51.80718       21.15098 -0.4091000     48.59245 64.01270       23.49330 21.56603 9.937864 32.88437 7.469465 -11.31835      12.43198 
1 1 1 -15 37 14 o 25.33103 8.343306 39.24749       23.97033 -38.13000      47.29073 66.00063       27.80712 18.30775 8.828854 32.46677 8.610443 -14.15902      12.33241 
1 1 1 -15 37 15 o 16.61977 7.183911 4.577723       21.40619 1.658000       46.50368 5.362700       24.11266 21.40188 9.810569 17.48648 7.591300 3.915401       12.40464 
1 1 1 -15 37 16 o 19.17395 8.082723 12.64204       25.90982 -32.98000      47.11654 32.41859       31.02139 18.55906 8.914833 23.70609 9.252482 -5.147030      12.84845 
1 1 1 -15 37 17 o 23.61066 9.319978 31.81025       31.78149 0.000000       0.000000 31.81025       31.78149 ?        ?        23.61066 9.319978 ?              ?        
1 1 1 -15 37 18 o 29.95720 7.622341 54.04578       22.40203 53.52000       50.52774 54.17442       24.99269 27.86016 11.47788 29.48991 8.306252 -1.629753      14.16812 
1 1 1 -15 37 19 o 36.99541 7.748843 81.86143       27.15979 47.39000       48.26054 97.83955       32.85681 26.97369 11.17503 39.59841 8.713849 -12.62471      14.17083 
1 1 1 -15 37 20 o 27.43834 7.925579 46.24913       22.47414 1.523000       46.03189 60.24710       25.75198 21.17992 9.727994 31.07388 8.306784 -9.893953      12.79205 
1 1 1 -15 37 21 o 24.49762 8.103357 36.73678       22.60342 86.90000       45.88010 20.65898       25.97437 33.63841 11.54587 20.67399 8.336546 12.96443       14.24096 
1 1 1 -15 37 22 o 15.15610 6.873745 -4.854282      22.06240 -27.87000      44.83213 2.500698       25.34357 18.40159 8.800992 17.23668 7.623048 1.164911       11.64338 
1 1 1 -15 37 23 o 45.99192 5.492504 115.3690       24.23806 85.45000       49.91592 124.6000       27.72619 32.64822 11.95737 47.23341 6.142356 -14.58519      13.44274 
1 1 1 -15 37 24 o 27.51662 7.855355 46.62919       22.20179 92.70000       49.94013 35.28082       24.78584 33.95403 12.02030 23.99533 8.470653 9.958702       14.70509 
1 1 1 -15 37 25 o 26.69181 7.707831 43.62807       21.25889 42.59000       48.34464 43.87692       23.67026 25.97185 10.99908 26.44875 8.250109 -0.4769058     13.74933 
1 1 1 -15 37 26 o 46.45145 5.015874 115.8550       22.44493 14.78000       50.38234 140.8815       25.07013 22.87183 10.37873 51.21458 5.067353 -28.34275      11.54973 
1 1 1 -15 37 27 o 23.17434 10.32423 21.84000       47.34311 21.84000       47.34311 0.000000       0.000000 23.17434 10.32423 ?        ?        ?              ?        
1 1 1 -15 37 28 o 19.02771 8.386843 7.829445       30.43141 48.87000       48.82012 -18.25000      38.91718 26.57371 11.14191 17.82045 8.429909 8.753260       13.97160 
1 1 1 -15 37 29 o 20.18930 9.193724 3.832000       39.96818 0.000000       0.000000 3.832000       39.96818 ?        ?        20.18930 9.193724 ?              ?        
1 1 1 -15 37 30 o 29.36421 9.690731 60.44905       32.33231 32.64000       50.76382 79.43000       41.93920 24.36936 10.78261 32.00227 11.03677 -7.632912      15.42968 
1 1 1 -15 37 31 o 23.26480 9.232807 33.32645       31.34485 60.70000       50.68128 16.37000       39.88866 27.70011 11.46170 21.38485 9.504848 6.315258       14.89002 
1 1 1 -15 37 32 o 16.80167 7.766139 -6.369427      30.00439 -14.05000      47.54165 -1.285000      38.68106 19.34465 9.199121 19.06874 8.815376 0.2759113      12.74106 
1 1 1 -15 37 33 o 15.74476 7.414828 -13.96131      29.49831 -4.569000      45.36818 -20.84000      38.82560 19.62586 9.227942 17.16942 8.205845 2.456434       12.34872 
1 1 1 -15 37 34 o 18.75298 8.295525 9.876250       30.02872 -4.672000      46.41375 20.35000       39.38151 19.66703 9.273932 21.36931 9.474023 -1.702274      13.25756 
1 1 1 -15 38 1  f 23.99755 9.484654 32.70284       32.95225 0.000000       0.000000 32.70284       32.95225 ?        ?        23.99755 9.484654 ?              ?        
1 1 1 -15 38 2  o 10.62298 5.182422 -27.76944      17.57250 -64.49000      44.60045 -21.02164      19.11901 16.12355 7.944582 11.99225 5.738759 4.131305       9.800497 
1 1 1 -15 38 3  o 18.96566 7.145616 17.99949       18.06403 32.49000       45.59271 15.30124       19.67411 24.90169 10.61858 18.53732 7.328032 6.364367       12.90171 
1 1 1 -15 38 4  o 16.82472 7.083298 7.709978       19.85768 -40.63000      43.65380 20.32259       22.29828 17.37868 8.405713 20.21089 7.856902 -2.832212      11.50595 
1 1 1 -15 38 5  o 18.01675 8.138565 -1.687519      30.56245 -0.2162000     43.96827 -3.063000      42.51218 20.82208 9.542771 20.28667 9.329063 0.5354023      13.34526 
1 1 1 -15 38 6  o 42.52783 5.291741 97.55029       21.55300 37.75000       47.66817 112.9172       24.16408 25.69345 10.90325 45.60501 5.525744 -19.91156      12.22353 
1 1 1 -15 38 7  f 25.74764 7.368114 39.46725       19.51003 38.23000       45.59922 39.74450       21.58558 25.64012 10.76043 25.61070 7.859905 0.2941513E-01  13.32535 
1 1 1 -15 38 8  o 27.89348 7.188473 45.96815       19.74953 20.51000       47.13916 51.38818       21.75050 23.48815 10.39172 29.28623 7.542015 -5.798075      12.84017 
1 1 1 -15 38 9  o 17.11840 7.143402 9.091178       19.92434 -106.2000      45.99740 35.71946       22.10583 14.44205 7.261776 24.33519 8.012105 -9.893143      10.81329 
1 1 1 -15 38 10 o 33.04543 6.783133 62.99466       21.20490 -46.88000      47.46840 90.38702       23.70121 17.68773 8.603992 40.18956 6.226130 -22.50183      10.62042 
1 1 1 -15 38 11 o 22.84113 7.703518 30.79425       20.41242 5.562000       47.70602 36.44908       22.58422 21.84427 9.984429 24.47368 8.100086 -2.629410      12.85691 
1 1 1 -15 38 12 o 36.97423 7.325628 80.49296       25.57478 12.46000       49.08336 105.8466       29.96364 22.67827 10.27225 42.35948 7.501158 -19.68121      12.71953 
1 1 1 -15 38 13 o 19.36715 7.901373 16.00943       23.65031 37.93000       48.00961 8.985431       27.17656 25.55474 10.89670 18.74753 8.099030 6.807211       13.57691 
1 1 1 -15 38 14 o 24.49115 7.784690 36.23684       20.98060 42.04000       47.89124 34.85856       23.33948 26.12187 10.99896 23.99442 8.234958 2.127453       13.74015 
1 1 1 -15 38 15 o 45.18940 6.201647 113.9445       26.70872 0.000000       0.000000 113.9445       26.70872 ?        ?        45.18940 6.201647 ?              ?        
1 1 1 -15 38 16 o 38.58736 8.936413 94.66341       33.08835 0.000000       0.000000 94.66341       33.08835 ?        ?        38.58736 8.936413 ?              ?        
1 1 1 -15 38 17 o 27.70408 8.736720 49.29731       26.47232 23.45000       47.02827 61.28597       32.02851 23.54359 10.39956 30.09750 9.624110 -6.553911      14.16949 
1 1 1 -15 38 18 o 14.87912 6.765182 -5.424135      21.53755 -33.59000      44.34702 3.269806       24.63833 17.84309 8.590866 17.15031 7.553400 0.6927834      11.43927 
1 1 1 -15 38 19 o 29.98157 8.623842 57.52611       26.66117 21.47000       47.11023 74.51543       32.33804 23.29618 10.34333 33.40795 9.461665 -10.11176      14.01812 
1 1 1 -15 38 20 o 34.04295 8.161977 71.93619       26.84474 70.07000       47.70907 72.80076       32.47304 30.09380 11.54732 32.86787 9.536735 -2.774071      14.97631 
1 1 1 -15 38 21 o 24.10203 8.210351 35.72765       23.19093 -3.673000      45.50058 49.55515       26.95486 20.43962 9.487904 27.64750 8.827737 -7.207878      12.95952 
1 1 1 -15 38 22 o 26.05854 8.138391 42.46830       23.02605 53.80000       45.77968 38.63071       26.64124 27.47938 11.07218 24.76243 8.778198 2.716957       14.12976 
1 1 1 -15 38 23 o 18.01843 7.529542 11.48746       22.18270 -51.65000      43.83878 33.21702       25.71819 16.48889 8.074195 23.39930 8.580832 -6.910412      11.78233 
1 1 1 -15 38 24 o 25.24026 7.947179 39.60217       21.91205 15.64000       45.52962 46.82534       24.99742 22.27686 10.00942 27.02137 8.485551 -4.744511      13.12224 
1 1 1 -15 38 25 o 18.75823 7.860934 13.43848       24.28190 23.12000       48.18414 10.14287       28.11256 23.29315 10.39383 18.90800 8.202676 4.385147       13.24068 
1 1 1 -15 38 26 o 34.12726 7.966452 72.20354       26.12515 18.90000       50.53221 91.64839       30.52056 23.04712 10.43268 38.15184 8.400538 -15.10471      13.39440 
1 1 1 -15 38 27 o 23.90002 10.09340 33.11000       40.52345 0.000000       0.000000 33.11000       40.52345 ?        ?        23.90002 10.09340 ?              ?        
1 1 1 -15 38 28 o 42.01370 10.87982 130.1000       45.09299 0.000000       0.000000 130.1000       45.09299 ?        ?        42.01370 10.87982 ?              ?        
1 1 1 -15 38 29 f 15.27149 7.280950 -21.65968      30.17659 -26.80000      48.71914 -18.46000      38.43778 18.66895 8.992515 17.45692 8.292872 1.212025       12.23262 
1 1 1 -15 38 30 o 19.09070 8.400483 10.76581       30.41120 10.82000       48.21386 10.73000       39.19066 21.46089 9.892894 20.38739 9.212121 1.073502       13.51786 
1 1 1 -15 38 31 o 18.97953 8.381508 10.74743       30.52963 7.369000       47.71022 13.09000       39.72830 20.89056 9.703505 20.55808 9.283500 0.3324757      13.42912 
1 1 1 -15 38 32 o 15.89856 7.484479 -12.93209      30.00538 2.155000       45.94754 -24.15000      39.62009 20.13444 9.408942 16.96058 8.154221 3.173857       12.45068 
1 1 1 -15 39 1  o 20.87458 7.491581 24.44981       19.46269 10.44000       46.57778 27.41340       21.42254 22.10399 10.00993 21.83696 7.856904 0.2670307      12.72515 
1 1 1 -15 39 2  o 44.49566 7.015397 114.4413       29.54359 93.26000       48.83443 126.6687       37.10365 34.37449 11.90695 45.04893 8.729745 -10.67444      14.76428 
1 1 1 -15 39 3  o 17.01671 7.627848 -0.4770123     26.26903 -34.93000      44.60379 17.81916       32.50412 17.83512 8.594267 21.10018 8.980604 -3.265055      12.43031 
1 1 1 -15 39 4  o 13.22211 6.059845 -7.449667      17.73160 -57.24000      43.85249 2.281939       19.38715 16.24831 7.980661 15.51485 6.770136 0.7334547      10.46545 
1 1 1 -15 39 5  o 32.33701 7.191828 61.74205       22.17551 -1.428000      46.53491 80.30167       25.22364 20.92538 9.672029 36.98194 7.227271 -16.05656      12.07401 
1 1 1 -15 39 6  f 48.72712 5.222578 127.9744       24.52117 51.98000       48.16022 154.5700       28.49069 27.43004 11.24292 53.28856 5.543049 -25.85853      12.53510 
1 1 1 -15 39 7  o 24.73147 7.497118 36.79118       19.71882 36.96000       44.71046 36.75041       21.97106 25.17578 10.61550 24.54644 7.982016 0.6293392      13.28162 
1 1 1 -15 39 8  o 14.81585 6.548355 -0.2378266     18.67348 -31.55000      43.85048 6.698243       20.63833 17.94606 8.615143 16.75249 7.143936 1.193573       11.19180 
1 1 1 -15 39 9  f 22.69470 7.724728 30.41565       20.52807 42.31000       45.74672 27.41671       22.97064 26.00523 10.83583 21.94604 8.098996 4.059189       13.52808 
1 1 1 -15 39 10 o 22.45125 7.736894 29.61757       20.60818 -12.96000      46.50326 40.02268       22.98879 19.90125 9.352801 25.45351 8.155116 -5.552259      12.40890 
1 1 1 -15 39 11 o 13.55276 6.395120 -16.87363      22.13935 -43.32000      44.95203 -8.404230      25.43857 17.31524 8.411338 15.67378 7.210959 1.641463       11.07919 
1 1 1 -15 39 12 o 40.21466 5.931701 89.99416       22.64887 44.16000       48.07055 103.0721       25.67759 26.17063 11.01952 42.73568 6.329529 -16.56505      12.70798 
1 1 1 -15 39 13 o 34.09981 6.934926 67.96124       22.35811 12.81000       47.65394 83.52820       25.31764 22.35270 10.12349 37.74363 7.113739 -15.39093      12.37297 
1 1 1 -15 39 14 o 32.52610 7.787838 64.58385       24.46576 0.000000       0.000000 64.58385       24.46576 ?        ?        32.52610 7.787838 ?              ?        
1 1 1 -15 39 15 o 39.80809 6.085504 88.83487       22.96045 20.73000       48.67545 108.3253       26.03944 23.29318 10.41657 43.87834 6.238404 -20.58516      12.14177 
1 1 1 -15 39 16 f 13.57028 6.344420 -12.99696      20.93126 27.24000       45.49096 -23.80331      23.57502 23.70435 10.35662 13.24676 6.348019 10.45759       12.14731 
1 1 1 -15 39 17 o 17.70682 7.762975 5.394283       25.75433 59.03000       46.21593 -18.76379      31.01671 28.24249 11.21015 15.97861 7.548762 12.26389       13.51485 
1 1 1 -15 39 18 o 23.01034 8.077805 31.95992       22.51729 40.43000       45.21265 29.16607       25.96673 25.41883 10.69401 22.41686 8.539332 3.001968       13.68511 
1 1 1 -15 39 19 o 22.36899 8.490982 29.12981       25.61736 -0.3372000     44.27864 43.95538       31.40739 20.48256 9.455732 25.83550 9.481174 -5.352932      13.39043 
1 1 1 -15 39 20 o 22.28120 8.467579 28.82749       25.49459 34.73000       44.38652 25.92149       31.14447 24.53780 10.47070 22.13982 9.054031 2.397980       13.84237 
1 1 1 -15 39 21 o 24.45870 8.178862 37.42244       23.01284 61.22000       44.25881 28.60456       26.94112 28.49996 11.07199 22.26308 8.641358 6.236881       14.04500 
1 1 1 -15 39 22 o 24.05083 8.171494 36.14764       22.96996 42.35000       46.25500 34.11745       26.46360 25.46848 10.77105 23.46465 8.686945 2.003834       13.83758 
1 1 1 -15 39 23 o 14.80343 6.795629 -7.102322      22.42221 9.725000       44.41451 -12.85786      25.97530 21.34580 9.709175 15.13857 7.074362 6.207234       12.01310 
1 1 1 -15 39 24 o 39.50023 7.245600 92.81413       26.98227 86.78000       49.56076 95.35610       32.16742 32.22223 11.89546 38.48884 8.738680 -6.266613      14.76030 
1 1 1 -15 39 25 o 24.03490 7.829230 36.11134       21.13317 -17.55000      47.89249 49.08627       23.54991 19.28396 9.187954 27.66051 8.148324 -8.376545      12.28062 
1 1 1 -15 39 26 o 31.47754 11.06756 78.94000       42.28152 0.000000       0.000000 78.94000       42.28152 ?        ?        31.47754 11.06756 ?              ?        
1 1 1 -15 39 27 o 24.89321 9.439892 42.36918       31.64436 29.65000       50.13852 50.79000       40.79616 23.54954 10.54857 26.18377 10.48600 -2.634226      14.87375 
1 1 1 -15 39 28 o 18.97282 8.382038 10.35921       30.56393 -12.94000      47.45929 26.87000       39.95164 19.23859 9.160705 22.35723 9.737888 -3.118639      13.36955 
1 1 1 -15 39 29 o 36.67910 9.240393 93.38797       33.15455 36.25000       49.52254 139.8000       44.63297 23.80527 10.58505 43.10262 10.64330 -19.29734      15.01077 
1 1 1 -15 39 30 o 19.14515 9.107162 -9.543000      46.67081 -9.543000      46.67081 0.000000       0.000000 19.14515 9.107162 ?        ?        ?              ?        
1 1 1 -15 40 1  o 23.03399 7.599476 31.85376       19.88389 -13.28000      44.86976 42.88299       22.18072 19.44701 9.154194 26.27570 7.948439 -6.828690      12.12340 
1 1 1 -15 40 2  o 19.24029 7.622403 17.74646       21.32912 -29.99000      43.37085 32.97458       24.49605 17.83860 8.564689 23.31432 8.399952 -5.475723      11.99638 
1 1 1 -15 40 3  o 19.66443 8.254399 15.35410       26.84204 13.49000       43.81163 16.47430       33.96268 21.90950 9.833624 20.96803 9.056093 0.9414673      13.36836 
1 1 1 -15 40 4  o 19.21150 8.141069 13.21585       26.51211 -26.21000      42.43668 38.45502       33.95380 17.93240 8.572802 24.72811 9.671627 -6.795712      12.92414 
1 1 1 -15 40 5  o 34.15931 6.498485 67.00941       20.93467 7.513000       44.42280 83.99494       23.73560 21.32575 9.703961 38.27092 6.572871 -16.94518      11.72047 
1 1 1 -15 40 6  o 13.99914 6.472701 -9.651217      20.86545 -29.68000      42.24340 -3.187922      23.99709 17.62588 8.459961 15.92056 7.199737 1.705318       11.10888 
1 1 1 -15 40 7  o 19.85766 7.767200 19.98042       21.89986 -24.77000      43.36408 35.30158       25.37332 18.22927 8.701348 23.91265 8.557157 -5.683378      12.20403 
1 1 1 -15 40 8  o 25.46011 7.576257 39.55577       20.27593 5.692000       45.06143 48.15259       22.70420 21.23735 9.705777 27.82596 7.943762 -6.588610      12.54215 
1 1 1 -15 40 9  o 21.99118 8.194870 27.98953       23.62254 15.90000       44.84957 32.63105       27.78968 22.28274 9.979254 23.29931 8.843772 -1.016565      13.33408 
1 1 1 -15 40 10 o 19.12659 7.818947 15.96844       23.21662 28.99000       45.16322 11.29146       27.06676 23.84214 10.36949 18.95011 8.133386 4.892025       13.17871 
1 1 1 -15 40 11 o 24.95186 7.788478 38.40369       21.09165 46.12000       46.06392 36.35682       23.72474 26.17859 10.88788 24.17103 8.302404 2.007559       13.69218 
1 1 1 -15 40 12 o 23.50679 8.418777 33.94501       24.56460 0.000000       0.000000 33.94501       24.56460 ?        ?        23.50679 8.418777 ?              ?        
1 1 1 -15 40 13 o 35.49287 7.556639 76.02110       25.44707 0.000000       0.000000 76.02110       25.44707 ?        ?        35.49287 7.556639 ?              ?        
1 1 1 -15 40 14 o 21.49528 7.796487 26.79508       21.14717 -18.94000      45.26889 39.56161       23.91726 18.96938 9.007984 25.03966 8.337264 -6.070288      12.27411 
1 1 1 -15 40 15 o 20.22669 7.750729 21.92887       21.47468 -35.71000      45.04373 38.88337       24.42976 17.68462 8.549997 24.80829 8.427176 -7.123669      12.00499 
1 1 1 -15 40 16 o 20.62428 7.759133 23.57274       21.28188 11.50000       45.23456 27.00470       24.11786 21.74405 9.853954 21.71335 8.239511 0.3069687E-01  12.84484 
1 1 1 -15 40 17 o 23.98243 8.654183 36.10555       26.01350 15.98000       44.99573 46.20931       31.88153 22.15538 9.953052 26.19306 9.562057 -4.037680      13.80203 
1 1 1 -15 40 18 o 21.47190 8.060905 26.68755       22.94316 32.87000       43.78266 24.34717       26.93797 24.00774 10.32483 21.26708 8.519526 2.740660       13.38598 
1 1 1 -15 40 19 o 21.48312 8.413362 25.95408       25.72156 10.04000       43.84160 34.30700       31.76249 21.25657 9.659880 23.57892 9.314153 -2.322348      13.41889 
1 1 1 -15 40 20 o 27.02560 8.794521 48.29202       26.66911 37.78000       46.07513 53.58827       32.70450 24.73141 10.61318 27.66666 9.733253 -2.935249      14.40055 
1 1 1 -15 40 21 o 20.05541 7.946289 20.84506       23.18285 73.25000       47.36284 4.333841       26.58528 30.01707 11.50852 17.58022 7.789645 12.43686       13.89693 
1 1 1 -15 40 22 o 14.79156 6.966589 -15.37559      26.05073 -71.63000      45.83441 11.46858       31.66200 15.58294 7.744426 19.53905 8.585539 -3.956111      11.56234 
1 1 1 -15 40 23 o 17.11510 7.378143 7.837871       22.46052 2.852000       47.16541 9.300138       25.54268 20.72394 9.633548 18.03753 7.821942 2.686409       12.40919 
1 1 1 -15 40 24 o 18.24222 7.761718 12.20041       24.26614 0.000000       0.000000 12.20041       24.26614 ?        ?        18.24222 7.761718 ?              ?        
1 1 1 -15 40 25 o 24.66943 10.47299 42.69000       44.01089 0.000000       0.000000 42.69000       44.01089 ?        ?        24.66943 10.47299 ?              ?        
1 1 1 -15 40 26 o 20.34954 8.734221 19.61970       31.21477 17.29000       45.44819 21.70000       42.94666 21.51026 9.798549 21.77165 9.756680 -0.2613907     13.82767 
1 1 1 -15 40 27 o 21.35179 8.865867 26.19392       30.47239 43.56000       47.31988 13.89000       39.83037 24.53911 10.64385 20.52447 9.279294 4.014641       14.12079 
1 1 1 -15 41 1  o 21.85980 7.568525 28.28324       19.72994 0.8624000      44.44018 35.01490       22.01895 20.54230 9.479617 23.81588 8.000775 -3.273581      12.40466 
1 1 1 -15 41 2  o 18.10945 7.261792 14.59255       19.59157 -22.36000      44.31254 23.57073       21.84231 18.50012 8.821018 20.66635 7.841418 -2.166231      11.80247 
1 1 1 -15 41 3  o 21.43127 7.890190 26.52272       21.77953 0.000000       0.000000 26.52272       21.77953 ?        ?        21.43127 7.890190 ?              ?        
1 1 1 -15 41 4  o 18.86705 8.119146 11.05174       27.10697 34.10000       43.93563 -3.113756      34.44401 24.32525 10.39969 18.38530 8.433510 5.939947       13.38946 
1 1 1 -15 41 5  o 22.13571 9.176938 25.50517       32.57631 48.52000       43.53861 -3.766000      49.10106 26.42718 10.74346 20.78743 9.718133 5.639750       14.48669 
1 1 1 -15 41 6  o 22.55201 7.730851 30.62139       20.56785 23.74000       44.09065 32.53538       23.25296 22.98594 10.11468 23.08162 8.199157 -0.9568787E-01 13.02048 
1 1 1 -15 41 7  o 21.25117 7.902583 25.85896       21.94544 6.940000       43.46236 32.33302       25.42453 20.99028 9.569552 23.04478 8.517740 -2.054504      12.81125 
1 1 1 -15 41 8  o 27.91760 8.684976 50.90836       26.25038 4.428000       44.69782 75.38000       32.43270 20.89721 9.593662 33.26186 9.493927 -12.36466      13.49715 
1 1 1 -15 41 9  o 16.01190 7.010934 3.124030       20.94642 -14.34000      43.74580 8.319075       23.85936 19.01870 8.978922 17.69159 7.615331 1.327114       11.77346 
1 1 1 -15 41 10 o 28.00357 7.644531 48.42682       21.53702 -3.428000      45.13459 63.71487       24.50704 20.20173 9.401986 32.05127 7.870201 -11.84954      12.26122 
1 1 1 -15 41 11 o 21.56950 8.153233 26.77118       23.56132 0.000000       0.000000 26.77118       23.56132 ?        ?        21.56950 8.153233 ?              ?        
1 1 1 -15 41 12 o 33.51043 7.094894 66.85232       22.54600 48.02000       46.37350 72.68169       25.80056 26.22459 10.91712 34.28697 7.856423 -8.062382      13.45017 
1 1 1 -15 41 13 o 27.83030 7.748171 48.37738       21.88173 98.39000       46.05783 33.79818       24.86741 34.98192 11.56707 23.30087 8.454059 11.68105       14.32719 
1 1 1 -15 41 14 o 13.58299 6.356756 -12.67063      21.10065 -26.11000      43.70578 -8.586069      24.09473 17.96394 8.617738 15.07530 6.965076 2.888633       11.08051 
1 1 1 -15 41 15 o 21.09694 7.949225 25.60085       22.35649 -18.39000      45.92845 39.26078       25.59322 18.92800 9.012511 24.65249 8.614983 -5.724487      12.46769 
1 1 1 -15 41 16 o 31.57281 7.505494 61.14158       22.85287 70.30000       47.88710 58.44072       26.00517 29.37954 11.48735 29.94854 8.485754 -0.5690022     14.28171 
1 1 1 -15 41 17 o 16.59757 7.498177 -1.097246      25.94896 2.896000       45.20332 -3.059920      31.69067 20.63650 9.536432 17.67952 8.102184 2.956985       12.51355 
1 1 1 -15 41 18 o 28.08571 8.900965 53.21057       27.44628 8.570000       47.83531 75.11901       33.51116 21.40971 9.863777 32.53576 9.753901 -11.12605      13.87201 
1 1 1 -15 41 19 o 27.71211 9.006832 52.53058       27.97694 0.6585000      48.88376 77.79690       34.11683 20.72014 9.689916 32.90779 9.836104 -12.18765      13.80737 
1 1 1 -15 41 20 o 24.69761 9.744061 41.82268       34.72362 22.29000       48.51964 62.33000       49.71542 22.63750 10.23742 27.55159 11.37145 -4.914085      15.30081 
1 1 1 -15 41 21 o 21.90617 8.295447 29.51734       24.41616 84.93000       50.19797 12.34501       27.94450 30.75752 11.83371 18.86281 8.180623 11.89470       14.38608 
1 1 1 -15 41 22 o 19.57047 7.825788 20.41901       22.68767 -40.30000      46.63093 39.24992       25.96853 17.18617 8.396819 24.19370 8.657032 -7.007526      12.06030 
1 1 1 -15 41 23 o 28.64710 8.532438 55.84857       25.70760 0.000000       0.000000 55.84857       25.70760 ?        ?        28.64710 8.532438 ?              ?        
1 1 1 -15 41 24 o 13.87745 6.779605 -36.24953      30.37774 -11.85000      43.72223 -59.02000      42.23744 18.52445 8.812717 15.19035 7.529450 3.334103       11.59123 
1 1 1 -15 41 25 o 20.50167 9.471554 11.06000       44.54625 11.06000       44.54625 0.000000       0.000000 20.50167 9.471554 ?        ?        ?              ?        
1 1 1 -15 42 1  o 25.92406 7.539590 41.64250       20.27497 28.15000       44.23722 45.23042       22.81200 23.31989 10.20024 26.64738 8.060728 -3.327490      13.00078 
1 1 1 -15 42 2  o 24.86226 7.548903 38.27061       19.98110 -2.834000      43.28750 49.39986       22.52425 19.82827 9.221211 27.98658 7.886304 -8.158304      12.13361 
1 1 1 -15 42 3  o 38.21849 5.796310 81.87820       21.00413 65.62000       45.70744 86.23057       23.64903 28.78916 11.23261 38.65337 6.479682 -9.864202      12.96756 
1 1 1 -15 42 4  f 45.30397 5.129392 111.6909       22.34646 76.71000       47.52752 121.6188       25.31974 30.47355 11.56591 46.82006 5.638208 -16.34651      12.86700 
1 1 1 -15 42 5  o 15.41715 6.783504 2.058483       19.82705 10.93000       44.43982 -0.1463046     22.15423 21.31854 9.702682 15.71559 7.027722 5.602946       11.98044 
1 1 1 -15 42 6  o 18.04913 8.755964 -36.17000      48.27678 0.000000       0.000000 -36.17000      48.27678 ?        ?        18.04913 8.755964 ?              ?        
1 1 1 -15 42 7  o 16.73604 7.309196 5.185772       22.63871 3.092000       43.10464 5.983306       26.60320 20.32247 9.363040 17.78641 7.840580 2.536057       12.21234 
1 1 1 -15 42 8  o 17.22034 7.437890 7.543781       22.91230 -0.1541000     44.12039 10.38641       26.81106 20.14647 9.348757 18.53606 8.026034 1.610409       12.32138 
1 1 1 -15 42 9  o 36.40574 8.576887 85.74731       30.05782 0.000000       0.000000 85.74731       30.05782 ?        ?        36.40574 8.576887 ?              ?        
1 1 1 -15 42 10 o 28.01162 8.507608 51.56071       25.37604 0.000000       0.000000 51.56071       25.37604 ?        ?        28.01162 8.507608 ?              ?        
1 1 1 -15 42 11 o 18.38560 7.514322 14.88424       21.43680 41.64000       46.07261 7.491491       24.21793 25.05983 10.67980 17.50357 7.603213 7.556259       13.10980 
1 1 1 -15 42 12 o 19.54814 7.770137 19.49764       22.23384 -7.167000      45.21940 27.99936       25.53349 19.65791 9.233514 21.81652 8.427648 -2.158613      12.50132 
1 1 1 -15 42 13 o 15.76907 7.021555 0.9448927      21.86925 -19.37000      45.06306 7.203454       25.01213 18.59199 8.873293 17.58982 7.682418 1.002167       11.73690 
1 1 1 -15 42 14 o 23.64943 8.193921 35.76372       23.12704 54.85000       48.75141 30.22118       26.27128 26.59957 11.14216 22.23849 8.559634 4.361086       14.05045 
1 1 1 -15 42 15 o 23.63859 8.234613 35.92489       23.37271 22.21000       48.54193 40.06416       26.66752 22.60411 10.22934 24.53907 8.773669 -1.934956      13.47653 
1 1 1 -15 42 16 o 19.17033 7.843147 17.78562       23.38390 -2.886000      48.16990 24.15900       26.74688 20.18313 9.495780 20.87781 8.444985 -0.6946812     12.70778 
1 1 1 -15 42 17 o 12.76859 6.155726 -24.37727      22.94714 -68.57000      46.46505 -10.12207      26.38990 15.67090 7.789711 15.34810 7.158503 0.3227949      10.57940 
1 1 1 -15 42 18 o 17.27335 7.745552 3.636807       27.11148 3.699000       46.67963 3.605148       33.30456 20.37513 9.508953 18.45210 8.398664 1.923021       12.68691 
1 1 1 -15 42 19 o 24.74958 9.728154 44.34755       34.49642 31.34000       47.04153 59.48000       50.73858 23.04962 10.27852 26.46644 11.24080 -3.416817      15.23166 
1 1 1 -15 42 20 o 14.90340 6.995830 -11.62851      25.88660 -30.07000      44.48672 -2.187413      31.83051 17.27859 8.387542 17.35195 8.012858 -0.7336235E-01 11.59986 
1 1 1 -15 42 21 o 19.78771 8.242460 20.30836       26.45732 0.000000       0.000000 20.30836       26.45732 ?        ?        19.78771 8.242460 ?              ?        
1 1 1 -15 42 22 o 18.96024 9.042357 -8.760000      46.61633 -8.760000      46.61633 0.000000       0.000000 18.96024 9.042357 ?        ?        ?              ?        
1 1 1 -15 43 1  o 17.44486 7.244725 11.81937       20.35182 -76.29000      46.55768 32.63274       22.62828 15.45800 7.702380 22.84187 8.090800 -7.383867      11.17084 
1 1 1 -15 43 2  o 25.40859 7.681663 40.69754       20.72104 135.2000       49.58797 20.70560       22.80774 40.97866 11.75305 19.83429 7.874340 21.14437       14.14706 
1 1 1 -15 43 3  o 31.90029 7.106220 61.54939       21.62037 25.77000       49.24913 70.09097       24.06308 23.13707 10.40190 33.76117 7.478746 -10.62409      12.81137 
1 1 1 -15 43 4  o 17.62060 7.272808 12.73158       20.33668 -25.97000      47.64262 21.35452       22.48842 18.47182 8.896307 19.92467 7.847593 -1.452850      11.86292 
1 1 1 -15 43 5  o 32.58058 8.111451 68.06690       25.76738 29.02000       49.21115 82.81590       30.24485 23.40973 10.47085 35.31250 8.785892 -11.90277      13.66860 
1 1 1 -15 43 6  o 35.28373 6.893295 74.28776       22.95307 19.30000       50.13154 88.87244       25.81823 22.43913 10.24825 38.44065 7.123935 -16.00152      12.48107 
1 1 1 -15 43 7  o 26.03469 9.205408 47.11314       29.28164 30.70000       50.86462 55.24870       35.81079 23.59496 10.59243 27.21950 10.10007 -3.624542      14.63594 
1 1 1 -15 43 8  o 30.53262 8.124422 60.43187       24.70481 0.000000       0.000000 60.43187       24.70481 ?        ?        30.53262 8.124422 ?              ?        
1 1 1 -15 43 9  o 19.35489 8.326627 14.83725       28.49404 0.000000       0.000000 14.83725       28.49404 ?        ?        19.35489 8.326627 ?              ?        
1 1 1 -15 43 10 o 25.35030 9.277814 44.88375       30.04268 40.16000       49.77932 47.59000       37.67817 24.46372 10.75680 25.50799 10.12279 -1.044271      14.77091 
1 1 1 -15 43 11 o 28.38680 8.663466 54.84035       26.27168 0.2426000      49.60945 76.11966       30.97103 20.49270 9.639933 32.99944 9.229307 -12.50674      13.34573 
1 1 1 -15 43 12 o 43.79989 5.968940 109.6413       24.92517 77.22000       50.89741 119.8695       28.58774 29.13541 11.69722 45.03656 6.687745 -15.90115      13.47409 
1 1 1 -15 43 13 o 23.95206 8.171524 37.80383       22.97353 -5.405000      45.83209 52.30339       26.54978 19.43017 9.178423 27.48664 8.759480 -8.056463      12.68747 
1 1 1 -15 43 14 o 26.00244 8.266572 45.43467       23.65754 32.18000       46.24110 50.13412       27.53386 23.06364 10.24336 26.65541 8.946716 -3.591774      13.60038 
1 1 1 -15 43 15 f 24.19861 8.270973 39.34335       23.53822 11.93000       46.07022 49.02718       27.38186 20.82809 9.625842 26.29594 8.921960 -5.467850      13.12472 
1 1 1 -15 43 16 o 28.29239 8.244077 54.15450       24.22029 23.73000       47.00497 65.15228       28.26082 21.94672 9.984766 30.33544 8.923498 -8.388720      13.39120 
1 1 1 -15 43 17 o 24.97274 9.003616 44.50748       28.14913 15.15000       45.90561 62.19794       35.63493 21.02611 9.678252 27.96638 10.12392 -6.940269      14.00579 
1 1 1 -15 43 18 o 19.22552 8.671041 11.15558       34.53536 -30.42000      45.57060 67.25000       52.93287 17.27482 8.409258 26.68764 11.41246 -9.412811      14.17603 
1 1 1 -15 44 1  o 19.53363 7.599174 21.45671       20.87130 1.820000       45.34717 26.73449       23.50938 19.92472 9.322767 20.99796 8.093265 -1.073248      12.34564 
1 1 1 -15 44 2  o 12.82910 6.042789 -13.01525      19.60704 -22.70000      44.64952 -10.70149      21.82385 17.87620 8.610176 13.86637 6.481357 4.009827       10.77697 
1 1 1 -15 44 3  o 21.46597 8.086020 28.75288       23.12897 8.710000       46.00905 35.53082       26.75545 20.60276 9.555754 23.08814 8.696913 -2.485388      12.92086 
1 1 1 -15 44 4  o 22.88757 8.292328 34.40187       23.91386 21.36000       46.05458 39.21631       27.98180 21.83143 9.913075 23.88371 8.915270 -2.052277      13.33233 
1 1 1 -15 44 5  o 16.44739 7.140015 6.999143       21.32983 14.14000       44.79678 4.905549       24.25592 20.96164 9.616220 16.75103 7.430432 4.210609       12.15249 
1 1 1 -15 44 6  o 20.98237 8.229375 26.69880       24.63948 0.000000       0.000000 26.69880       24.63948 ?        ?        20.98237 8.229375 ?              ?        
1 1 1 -15 44 7  o 19.60251 7.971769 20.76125       23.98125 0.000000       0.000000 20.76125       23.98125 ?        ?        19.60251 7.971769 ?              ?        
1 1 1 -15 44 8  o 17.40897 7.779395 5.736439       27.09516 3.644000       44.79208 6.943937       34.02657 19.85857 9.283250 18.75976 8.519297 1.098816       12.59989 
1 1 1 -15 44 9  o 16.93033 7.287267 9.376999       21.84576 21.42000       44.60338 5.576392       25.05687 21.51826 9.764856 16.94659 7.532669 4.571669       12.33262 
1 1 1 -15 44 10 o 19.49103 8.127796 19.80491       25.76752 -17.27000      46.31178 36.42849       31.01085 18.29624 8.801402 22.96479 9.160625 -4.668552      12.70361 
1 1 1 -15 44 11 o 22.55880 9.065968 34.28588       30.60698 0.000000       0.000000 34.28588       30.60698 ?        ?        22.55880 9.065968 ?              ?        
1 1 1 -15 44 12 o 28.26124 8.923453 57.21547       27.60810 0.000000       0.000000 57.21547       27.60810 ?        ?        28.26124 8.923453 ?              ?        
1 1 1 -15 44 13 o 19.90911 8.835482 17.17545       34.33695 57.55000       45.91824 -34.04000      51.71683 25.71967 10.79618 17.90415 8.767738 7.815516       13.90794 
1 1 1 -15 45 1  o 20.91224 9.103226 24.60024       34.87093 6.205000       45.01593 52.20000       55.13993 19.79671 9.271206 24.61505 11.04121 -4.818340      14.41748 
1 1 1 -15 45 2  o 21.05035 9.099727 25.83139       34.35105 66.87000       44.76087 -32.97000      53.57917 27.06204 10.93255 18.13429 8.889511 8.927748       14.09056 
1 1 1 -15 45 3  o 14.01649 6.899542 -42.33664      33.36263 -12.16000      43.58041 -85.06000      51.85476 18.09414 8.660230 15.49601 7.780643 2.598121       11.64208 
1 1 1 -15 45 4  o 25.75024 10.91379 60.14000       47.66039 60.14000       47.66039 0.000000       0.000000 25.75024 10.91379 ?        ?        ?              ?        
1 1 1 -14 0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  2  o 138.8631 4.690701 947.5037       63.59236 947.5037       63.59236 947.5037       63.59236 138.8631 4.690701 138.8631 4.690701 0.000000       0.000000 
1 1 1 -14 0  3  o 405.2715 10.89718 8081.107       431.5746 8081.107       431.5746 8081.107       431.5746 405.2715 10.89718 405.2715 10.89718 -0.000000      0.000000 
1 1 1 -14 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  5  o 399.2345 10.72979 7842.483       418.6159 7842.483       418.6159 7842.483       418.6159 399.2345 10.72979 399.2345 10.72979 0.000000       0.000000 
1 1 1 -14 0  6  o 253.9951 7.153191 3169.506       177.5218 3169.506       177.5218 3169.506       177.5218 253.9951 7.153191 253.9951 7.153191 0.000000       0.000000 
1 1 1 -14 0  7  o 54.12128 5.124410 147.2794       26.55381 147.2794       26.55381 147.2794       26.55381 54.12128 5.124410 54.12128 5.124410 -0.000000      0.000000 
1 1 1 -14 0  8  o 47.97850 5.727296 117.4982       25.88583 117.4982       25.88583 117.4982       25.88583 47.97850 5.727296 47.97850 5.727296 0.000000       0.000000 
1 1 1 -14 0  9  o 8.089743 5.795362 -34.39685      21.40216 -34.39685      21.40216 -34.39685      21.40216 8.089743 5.795362 8.089743 5.795362 0.000000       0.000000 
1 1 1 -14 0  10 o 81.37859 4.443646 327.2231       35.15328 327.2231       35.15328 327.2231       35.15328 81.37859 4.443646 81.37859 4.443646 0.000000       0.000000 
1 1 1 -14 0  11 f 96.06907 4.463334 454.9407       41.76393 454.9407       41.76393 454.9407       41.76393 96.06907 4.463334 96.06907 4.463334 0.000000       0.000000 
1 1 1 -14 0  12 o 24.84935 10.27701 42.53755       24.82125 42.53755       24.82125 42.53755       24.82125 24.84935 10.27701 24.84935 10.27701 -0.000000      0.000000 
1 1 1 -14 0  13 o 338.2314 9.223925 5631.117       304.8633 5631.117       304.8633 5631.117       304.8633 338.2314 9.223925 338.2314 9.223925 0.000000       0.000000 
1 1 1 -14 0  14 o 43.24396 6.821889 98.24864       26.72941 98.24864       26.72941 98.24864       26.72941 43.24396 6.821889 43.24396 6.821889 -0.000000      0.000000 
1 1 1 -14 0  15 o 155.4802 5.100956 1188.327       77.44109 1188.327       77.44109 1188.327       77.44109 155.4802 5.100956 155.4802 5.100956 0.000000       0.000000 
1 1 1 -14 0  16 o 9.000978 6.395157 -32.95612      24.07471 -32.95612      24.07471 -32.95612      24.07471 9.000978 6.395157 9.000978 6.395157 0.000000       0.000000 
1 1 1 -14 0  17 o 62.42131 5.243650 194.9653       31.49910 194.9653       31.49910 194.9653       31.49910 62.42131 5.243650 62.42131 5.243650 -0.000000      0.000000 
1 1 1 -14 0  18 o 191.7224 5.836100 1807.281       109.2922 1807.281       109.2922 1807.281       109.2922 191.7224 5.836100 191.7224 5.836100 -0.000000      0.000000 
1 1 1 -14 0  19 o 97.41401 4.651735 468.1691       44.12354 468.1691       44.12354 468.1691       44.12354 97.41401 4.651735 97.41401 4.651735 0.000000       0.000000 
1 1 1 -14 0  20 o 62.09558 5.515183 193.4710       32.88541 193.4710       32.88541 193.4710       32.88541 62.09558 5.515183 62.09558 5.515183 0.000000       0.000000 
1 1 1 -14 0  21 o 276.8579 7.779833 3774.505       210.4541 3774.505       210.4541 3774.505       210.4541 276.8579 7.779833 276.8579 7.779833 -0.000000      0.000000 
1 1 1 -14 0  22 o 132.2108 4.931458 860.4070       63.61694 860.4070       63.61694 860.4070       63.61694 132.2108 4.931458 132.2108 4.931458 0.000000       0.000000 
1 1 1 -14 0  23 o 131.8146 4.945264 855.4019       63.60150 855.4019       63.60150 855.4019       63.60150 131.8146 4.945264 131.8146 4.945264 -0.000000      0.000000 
1 1 1 -14 0  24 f 26.65512 14.20600 50.79000       50.31272 50.79000       50.31272 50.79000       50.31272 26.65512 14.20600 26.65512 14.20600 0.000000       0.000000 
1 1 1 -14 0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 0  26 o 97.61420 7.517061 476.9000       70.81835 476.9000       70.81835 476.9000       70.81835 97.61420 7.517061 97.61420 7.517061 -0.000000      0.000000 
1 1 1 -14 0  27 o 123.1178 4.782261 746.8912       57.43372 746.8912       57.43372 746.8912       57.43372 123.1178 4.782261 123.1178 4.782261 0.000000       0.000000 
1 1 1 -14 0  28 o 107.7954 6.377436 577.2000       66.74609 577.2000       66.74609 577.2000       66.74609 107.7954 6.377436 107.7954 6.377436 -0.000000      0.000000 
1 1 1 -14 0  29 o 79.15944 6.475966 314.4000       49.37957 314.4000       49.37957 314.4000       49.37957 79.15944 6.475966 79.15944 6.475966 0.000000       0.000000 
1 1 1 -14 0  30 o 57.76498 7.404856 172.4000       39.98539 172.4000       39.98539 172.4000       39.98539 57.76498 7.404856 57.76498 7.404856 -0.000000      0.000000 
1 1 1 -14 0  31 o 31.01781 10.15509 60.71182       27.32504 60.71182       27.32504 60.71182       27.32504 31.01781 10.15509 31.01781 10.15509 0.000000       0.000000 
1 1 1 -14 0  32 o 58.31834 5.682681 172.1730       31.68347 172.1730       31.68347 172.1730       31.68347 58.31834 5.682681 58.31834 5.682681 0.000000       0.000000 
1 1 1 -14 0  33 o 16.40470 9.680500 15.57069       26.59167 15.57069       26.59167 15.57069       26.59167 16.40470 9.680500 16.40470 9.680500 0.000000       0.000000 
1 1 1 -14 0  34 o 63.60307 5.697771 204.3195       34.78627 204.3195       34.78627 204.3195       34.78627 63.60307 5.697771 63.60307 5.697771 -0.000000      0.000000 
1 1 1 -14 0  35 o 50.14773 6.964697 131.5949       32.30510 131.5949       32.30510 131.5949       32.30510 50.14773 6.964697 50.14773 6.964697 0.000000       0.000000 
1 1 1 -14 0  36 o 58.33553 6.228534 174.2236       34.54441 174.2236       34.54441 174.2236       34.54441 58.33553 6.228534 58.33553 6.228534 -0.000000      0.000000 
1 1 1 -14 0  37 o 13.53728 8.889383 -3.597642      29.63235 -3.597642      29.63235 -3.597642      29.63235 13.53728 8.889383 13.53728 8.889383 0.000000       0.000000 
1 1 1 -14 0  38 o 72.82181 5.584552 267.2540       39.25441 267.2540       39.25441 267.2540       39.25441 72.82181 5.584552 72.82181 5.584552 -0.000000      0.000000 
1 1 1 -14 0  39 o 11.19096 7.776593 -25.05939      30.03405 -25.05939      30.03405 -25.05939      30.03405 11.19096 7.776593 11.19096 7.776593 0.000000       0.000000 
1 1 1 -14 0  40 o 12.10706 8.266575 -16.86494      30.56091 -16.86494      30.56091 -16.86494      30.56091 12.10706 8.266575 12.10706 8.266575 0.000000       0.000000 
1 1 1 -14 0  41 o 21.58677 11.41842 35.54046       32.30029 35.54046       32.30029 35.54046       32.30029 21.58677 11.41842 21.58677 11.41842 -0.000000      0.000000 
1 1 1 -14 0  42 o 9.948850 7.090281 -41.65081      30.43660 -41.65081      30.43660 -41.65081      30.43660 9.948850 7.090281 9.948850 7.090281 -0.000000      0.000000 
1 1 1 -14 0  43 o 12.61165 8.519152 -11.73314      30.71979 -11.73314      30.71979 -11.73314      30.71979 12.61165 8.519152 12.61165 8.519152 -0.000000      0.000000 
1 1 1 -14 0  44 o 17.21086 10.46749 16.89773       32.97910 16.89773       32.97910 16.89773       32.97910 17.21086 10.46749 17.21086 10.46749 0.000000       0.000000 
1 1 1 -14 0  45 o 17.91997 11.92286 -4.717000      56.17942 -4.717000      56.17942 -4.717000      56.17942 17.91997 11.92286 17.91997 11.92286 0.000000       0.000000 
1 1 1 -14 0  46 o 70.95739 6.044679 259.1079       41.25502 259.1079       41.25502 259.1079       41.25502 70.95739 6.044679 70.95739 6.044679 -0.000000      0.000000 
1 1 1 -14 0  47 o 57.62003 9.590993 186.5000       49.59258 186.5000       49.59258 186.5000       49.59258 57.62003 9.590993 57.62003 9.590993 0.000000       0.000000 
1 1 1 -14 0  48 o 72.81989 8.290008 284.9000       57.11308 284.9000       57.11308 284.9000       57.11308 72.81989 8.290008 72.81989 8.290008 0.000000       0.000000 
1 1 1 -14 0  49 o 18.47872 10.91510 24.37240       33.86557 24.37240       33.86557 24.37240       33.86557 18.47872 10.91510 18.47872 10.91510 0.000000       0.000000 
1 1 1 -14 0  50 f 29.52869 12.13508 66.07038       34.66257 66.07038       34.66257 66.07038       34.66257 29.52869 12.13508 29.52869 12.13508 -0.000000      0.000000 
1 1 1 -14 0  51 o 68.67181 6.215731 246.0942       40.95418 246.0942       40.95418 246.0942       40.95418 68.67181 6.215731 68.67181 6.215731 0.000000       0.000000 
1 1 1 -14 0  52 o 32.42541 11.75294 75.39284       34.25364 75.39284       34.25364 75.39284       34.25364 32.42541 11.75294 32.42541 11.75294 0.000000       0.000000 
1 1 1 -14 0  53 o 59.23663 6.752874 186.9194       37.84074 186.9194       37.84074 186.9194       37.84074 59.23663 6.752874 59.23663 6.752874 -0.000000      0.000000 
1 1 1 -14 0  54 o 52.01495 7.628001 148.9085       36.39524 148.9085       36.39524 148.9085       36.39524 52.01495 7.628001 52.01495 7.628001 -0.000000      0.000000 
1 1 1 -14 0  55 o 17.95013 11.49626 14.87000       45.49255 14.87000       45.49255 14.87000       45.49255 17.95013 11.49626 17.95013 11.49626 0.000000       0.000000 
1 1 1 -14 0  56 o 32.47889 11.98465 77.14732       35.27658 77.14732       35.27658 77.14732       35.27658 32.47889 11.98465 32.47889 11.98465 0.000000       0.000000 
1 1 1 -14 0  57 o 14.51488 9.539821 1.440006       34.24286 1.440006       34.24286 1.440006       34.24286 14.51488 9.539821 14.51488 9.539821 0.000000       0.000000 
1 1 1 -14 0  58 o 12.46477 8.940148 -66.26000      51.56479 -66.26000      51.56479 -66.26000      51.56479 12.46477 8.940148 12.46477 8.940148 -0.000000      0.000000 
1 1 1 -14 0  59 o 22.34477 13.03306 45.87000       47.25654 45.87000       47.25654 45.87000       47.25654 22.34477 13.03306 22.34477 13.03306 0.000000       0.000000 
1 1 1 -14 0  60 o 25.03207 13.80669 61.81000       49.15589 61.81000       49.15589 61.81000       49.15589 25.03207 13.80669 25.03207 13.80669 -0.000000      0.000000 
1 1 1 -14 1  1  o 291.9337 5.669077 4178.087       161.9954 4184.360       229.3893 4171.846       228.8040 291.7946 8.039032 291.3589 8.030517 0.4357605      11.36289 
1 1 1 -14 1  2  o 422.8602 7.979884 8780.701       330.2932 8881.287       471.0916 8683.450       463.2180 424.3992 11.35049 419.6598 11.28694 4.739349       16.00715 
1 1 1 -14 1  3  o 193.2533 4.052606 1829.412       76.65974 1890.989       110.6378 1772.549       106.3177 196.3064 5.764124 190.0577 5.721484 6.248749       8.121608 
1 1 1 -14 1  4  o 276.3246 5.406897 3742.895       146.2426 3765.867       207.7194 3720.317       205.9286 276.8426 7.672856 275.1647 7.653141 1.677856       10.83713 
1 1 1 -14 1  5  o 296.5365 5.753926 4311.582       167.0124 4360.667       238.1527 4264.082       234.2774 297.8282 8.177011 294.5157 8.134518 3.312439       11.53403 
1 1 1 -14 1  6  f 134.3793 3.284870 884.3238       43.20727 878.1830       61.03805 890.4913       61.17078 133.7884 4.668118 134.7254 4.645564 -0.9370117     6.585787 
1 1 1 -14 1  7  o 123.6255 3.187196 748.9354       38.53547 727.4573       53.80011 771.5643       55.22251 121.7592 4.521998 125.4021 4.506212 -3.642937      6.383918 
1 1 1 -14 1  8  o 133.3039 3.292984 870.2776       42.96737 863.1656       60.39262 877.5680       61.14443 132.6314 4.659145 133.7333 4.678217 -1.101898      6.602526 
1 1 1 -14 1  9  o 132.6975 3.304997 862.4138       42.92795 870.7024       60.96432 854.2626       60.45743 133.2033 4.683072 131.9378 4.688839 1.265503       6.626943 
1 1 1 -14 1  10 o 221.5849 4.520977 2406.454       98.05701 2366.140       137.2824 2448.444       140.1078 219.4715 6.397265 223.2564 6.418051 -3.784958      9.061810 
1 1 1 -14 1  11 o 278.8286 5.466362 3813.411       149.1908 3824.042       211.4249 3802.867       210.5529 278.7982 7.755005 278.0266 7.744476 0.7716064      10.95979 
1 1 1 -14 1  12 o 229.6472 4.656024 2585.476       104.6605 2633.582       149.7384 2539.526       146.3444 231.4791 6.615473 227.3092 6.584318 4.169937       9.333688 
1 1 1 -14 1  13 o 89.22777 3.150408 390.4586       27.47205 400.6231       38.98753 380.4349       38.71656 90.29379 4.424724 87.97660 4.511031 2.317184       6.318828 
1 1 1 -14 1  14 o 179.9855 3.910081 1587.559       68.88578 1603.329       97.90413 1572.099       96.94142 180.6716 5.542666 178.9018 5.542590 1.769882       7.838459 
1 1 1 -14 1  15 o 280.6638 5.511801 3865.941       151.4210 3875.948       214.4593 3855.993       213.8254 280.5265 7.817870 279.8036 7.814936 0.7229614      11.05406 
1 1 1 -14 1  16 o 161.9040 3.681247 1284.589       58.33896 1306.582       83.24060 1263.357       81.78613 163.0925 5.221014 160.3697 5.217102 2.722809       7.380863 
1 1 1 -14 1  17 o 70.76073 3.454689 245.9399       23.85574 277.0910       34.15553 216.2698       33.33371 75.01450 4.674913 66.18150 5.187074 8.833000       6.982875 
1 1 1 -14 1  18 o 66.40845 3.616221 216.7817       23.41762 237.8326       33.17961 195.8877       33.05577 69.44672 4.912761 62.93385 5.418790 6.512871       7.314267 
1 1 1 -14 1  19 o 80.52293 3.376994 318.3055       26.55773 337.4437       37.27187 298.5676       37.85143 82.80618 4.616736 77.83554 4.994546 4.970642       6.801452 
1 1 1 -14 1  20 o 191.8340 4.125076 1804.750       77.45756 1832.386       110.2467 1777.809       108.8497 193.0115 5.842200 190.1104 5.856438 2.901077       8.272193 
1 1 1 -14 1  21 o 194.4149 4.178193 1853.924       79.51046 1836.187       111.9687 1871.966       112.9270 193.1778 5.928534 195.0538 5.921620 -1.875946      8.379326 
1 1 1 -14 1  22 o 193.4348 4.177861 1835.458       79.10336 1779.334       109.8958 1895.803       113.9526 190.1452 5.911767 196.2706 5.938305 -6.125412      8.379288 
1 1 1 -14 1  23 o 289.6713 6.614954 4132.040       187.5592 4209.372       231.9621 3986.000       318.7667 291.8025 8.129150 282.5103 11.55179 9.292114       14.12540 
1 1 1 -14 1  24 o 91.23074 4.931062 410.0401       43.87032 410.0401       43.87032 0.000000       0.000000 91.23074 4.931062 ?        ?        ?              ?        
1 1 1 -14 1  25 o 153.9716 4.335693 1164.742       65.27889 1274.000       119.4982 1118.269       77.93510 160.4039 7.632873 150.7236 5.290780 9.680313       9.287254 
1 1 1 -14 1  26 o 171.1410 5.463324 1442.666       91.40302 0.000000       0.000000 1442.666       91.40302 ?        ?        171.1410 5.463324 ?              ?        
1 1 1 -14 1  27 o 140.2727 7.233195 975.6000       98.97836 0.000000       0.000000 975.6000       98.97836 ?        ?        140.2727 7.233195 ?              ?        
1 1 1 -14 1  28 o 111.5612 3.746797 611.7324       40.85666 650.7000       70.11405 591.6975       50.27430 114.6310 6.272706 109.5823 4.697961 5.048767       7.836943 
1 1 1 -14 1  29 o 126.4324 4.621671 787.7057       57.09949 749.9000       78.66721 829.8000       83.00940 122.9294 6.561575 129.3249 6.579125 -6.395561      9.291886 
1 1 1 -14 1  30 o 95.41678 3.735809 448.1126       34.82375 443.4909       43.27874 456.6000       58.64908 94.77026 4.679956 95.82693 6.287428 -1.056671      7.837968 
1 1 1 -14 1  31 o 61.73431 4.265428 188.5752       25.61635 188.0269       32.33107 189.5000       41.98615 61.43708 5.432212 61.29688 7.130765 0.1401978      8.964191 
1 1 1 -14 1  32 o 97.81871 3.354451 470.9672       32.07056 477.2688       45.30342 464.6371       45.40600 98.19889 4.727109 96.87003 4.803685 1.328865       6.739507 
1 1 1 -14 1  33 o 80.01757 3.513120 315.7447       27.44889 331.2867       38.95997 300.4264       38.67873 81.68161 4.895369 77.71876 5.112802 3.962852       7.078515 
1 1 1 -14 1  34 f 65.13963 3.959069 210.1175       25.12401 211.0805       35.59658 209.1615       35.46522 64.89861 5.660170 64.59924 5.666107 0.2993698      8.008888 
1 1 1 -14 1  35 o 21.23709 7.746205 19.08877       20.91602 27.74797       29.34662 10.14889       29.81845 25.20437 9.178174 21.61625 8.851786 3.588121       12.75120 
1 1 1 -14 1  36 o 53.04834 4.544014 140.6208       23.36784 147.8416       32.80524 133.1832       33.29441 53.89608 6.339518 50.95499 6.848673 2.941090       9.332406 
1 1 1 -14 1  37 o 144.3135 3.693597 1030.153       52.13213 1028.587       73.65485 1031.725       73.79729 143.4312 5.255164 143.6489 5.257329 -0.2176666     7.433455 
1 1 1 -14 1  38 o 33.56103 7.055028 59.28599       22.43916 36.23756       31.69922 82.43514       31.76841 27.33587 9.585203 39.23532 8.516887 -11.89945      12.82238 
1 1 1 -14 1  39 o 59.76754 4.428178 178.7113       25.72176 180.5526       36.17310 176.8280       36.58248 59.42277 6.315713 58.73930 6.469672 0.6834755      9.041288 
1 1 1 -14 1  40 o 42.49700 5.917266 92.83478       23.94752 108.0985       34.49026 78.62675       33.27618 45.05613 8.119133 37.95007 9.079874 7.106060       12.18049 
1 1 1 -14 1  41 o 104.5052 3.617480 542.2030       36.94835 594.7679       54.02045 495.9961       50.64814 108.7130 5.090709 99.17728 5.235840 9.535721       7.302694 
1 1 1 -14 1  42 o 41.78365 6.161187 90.78615       24.44334 102.1669       35.70018 80.74261       33.53733 43.21187 8.740983 38.16161 9.105700 5.050262       12.62215 
1 1 1 -14 1  43 o 46.33939 5.704193 110.9334       25.32787 128.0043       36.22446 94.60592       35.42689 48.75920 7.856913 41.18899 9.036046 7.570217       11.97419 
1 1 1 -14 1  44 o 56.14956 6.024399 164.0308       32.59341 163.6056       38.06223 165.2000       63.11076 55.40486 7.187675 51.57067 12.60945 3.834187       14.51416 
1 1 1 -14 1  45 o 17.90166 7.621523 3.963051       23.42262 1.380746       34.09375 6.271271       32.23365 20.50281 8.961693 20.76661 8.893682 -0.2638035     12.62575 
1 1 1 -14 1  46 o 39.75066 8.891525 90.26178       33.72855 0.000000       0.000000 90.26178       33.72855 ?        ?        39.75066 8.891525 ?              ?        
1 1 1 -14 1  47 o 20.55797 8.352189 14.08860       26.29455 42.44000       45.13072 -0.4814639     32.35308 28.64782 11.16608 19.62860 8.649808 9.019224       14.12447 
1 1 1 -14 1  48 o 30.73440 8.845657 54.67632       28.04241 90.69658       35.55162 -4.639000      45.62149 39.31588 9.371289 22.12679 9.974031 17.18909       13.68585 
1 1 1 -14 1  49 o 37.60812 7.836220 79.67149       27.90936 61.26981       34.90316 112.3000       46.47663 31.87283 10.02933 42.24677 11.09781 -10.37393      14.95823 
1 1 1 -14 1  50 o 27.50631 8.303133 43.44184       24.22263 72.04456       34.68982 16.22655       33.83801 34.41525 9.817295 22.29058 9.306062 12.12467       13.52709 
1 1 1 -14 1  51 o 49.92564 5.393340 131.1844       25.93864 107.4869       36.87737 154.3883       36.49124 42.49060 9.138270 52.80067 7.252000 -10.31007      11.66617 
1 1 1 -14 1  52 f 55.14172 4.946231 158.3942       26.41360 131.1406       37.45881 185.3463       37.25099 47.62709 8.338804 58.32858 6.642781 -10.70149      10.66125 
1 1 1 -14 1  53 f 55.38397 4.904732 159.6167       26.31462 172.7782       38.06239 147.5659       36.42085 55.89419 7.118296 51.32507 7.468543 4.569118       10.31743 
1 1 1 -14 1  54 o 31.61309 7.748182 57.89506       23.78626 91.93652       35.11729 29.03814       32.33269 38.79349 9.357166 24.01637 9.424684 14.77712       13.28086 
1 1 1 -14 1  55 o 24.08664 9.750789 27.53580       35.69028 68.52000       50.69830 -12.73000      50.25200 31.84499 11.97682 21.51719 9.982215 10.32780       15.59131 
1 1 1 -14 1  56 o 20.98362 8.493320 18.20014       27.07385 33.29000       46.83619 10.62757       33.17880 26.09861 10.92594 20.83495 8.974451 5.263660       14.13920 
1 1 1 -14 1  57 o 17.43222 7.863782 -4.682777      28.42046 -16.05342      34.00932 21.64000       51.74536 17.57409 8.173085 25.04332 10.99084 -7.469225      13.69664 
1 1 1 -14 1  58 o 39.31778 6.999815 87.44634       25.95138 43.31197       36.68755 131.6445       36.71405 26.74604 10.15925 47.28767 8.230739 -20.54163      13.07499 
1 1 1 -14 1  59 o 20.71635 8.962735 12.03745       33.37936 0.000000       0.000000 12.03745       33.37936 ?        ?        20.71635 8.962735 ?              ?        
1 1 1 -14 1  60 o 39.48976 7.742797 92.50829       28.85861 84.78433       36.04489 106.3000       48.16514 35.58405 9.958273 37.65287 11.77217 -2.068821      15.41918 
1 1 1 -14 2  1  o 246.0518 5.650445 2968.045       136.0866 2698.000       221.3055 3132.250       172.5707 234.0082 9.682649 252.5567 6.987463 -18.54843      11.94062 
1 1 1 -14 2  2  o 214.2413 4.377313 2248.693       91.79457 2275.545       131.0356 2222.818       128.6320 215.3140 6.223963 212.8069 6.181837 2.507065       8.772276 
1 1 1 -14 2  3  o 267.0020 7.466635 3502.346       194.9482 3872.000       294.4929 3214.000       260.0966 280.1891 10.75784 255.2973 10.43032 24.89174       14.98408 
1 1 1 -14 2  4  o 195.2077 4.084309 1866.691       78.04079 1937.608       112.9166 1801.836       107.9814 198.7025 5.811862 191.6126 5.763854 7.089890       8.185337 
1 1 1 -14 2  5  o 259.0519 5.117723 3289.248       129.7687 3263.091       182.5871 3315.948       184.4686 257.7265 7.244958 259.8049 7.260975 -2.078430      10.25725 
1 1 1 -14 2  6  o 302.1198 5.852562 4476.169       173.0738 4467.862       244.5780 4484.501       244.9492 301.4214 8.297560 301.9831 8.294661 -0.5617065     11.73247 
1 1 1 -14 2  7  o 73.61636 3.142545 265.8738       22.59237 256.9299       31.49989 275.3483       32.42087 72.27314 4.474669 74.83062 4.446329 -2.557480      6.308130 
1 1 1 -14 2  8  o 299.9159 5.821246 4411.792       170.8920 4415.434       241.7602 4408.155       241.5954 299.6010 8.251811 299.3535 8.253016 0.2474670      11.67068 
1 1 1 -14 2  9  o 220.4313 4.495986 2381.300       97.00731 2366.315       136.6872 2396.507       137.6965 219.4949 6.368785 220.8911 6.375186 -1.396210      9.011350 
1 1 1 -14 2  10 o 206.5767 4.281348 2091.246       86.57011 2068.614       121.6535 2114.465       123.2187 205.2327 6.062452 207.4953 6.073370 -2.262680      8.581326 
1 1 1 -14 2  11 o 113.4680 3.152262 631.0779       34.97688 613.8787       48.98789 648.9636       49.95585 111.8218 4.484746 114.9808 4.447076 -3.158951      6.315809 
1 1 1 -14 2  12 o 61.45874 3.507104 185.6427       21.01028 188.2028       29.50622 183.0095       29.92424 61.75741 4.921798 60.87858 5.067634 0.8788338      7.064347 
1 1 1 -14 2  13 o 222.6439 4.553136 2430.279       99.22651 2389.472       138.8938 2472.815       141.8064 220.4812 6.442750 224.2931 6.465877 -3.811905      9.127792 
1 1 1 -14 2  14 o 138.6286 3.404356 941.5095       46.19488 958.4030       65.77864 925.0698       64.88929 139.7129 4.817174 137.2570 4.837398 2.455902       6.826828 
1 1 1 -14 2  15 o 307.3020 5.969288 4636.975       179.5536 4506.023       249.1375 4778.505       259.0042 302.3246 8.427201 311.3165 8.507575 -8.991882      11.97483 
1 1 1 -14 2  16 o 94.26631 3.203583 435.8407       29.51666 439.3441       41.42701 432.2285       42.06604 94.54701 4.489230 93.76682 4.597293 0.7801971      6.425597 
1 1 1 -14 2  17 o 206.8029 4.327061 2097.210       87.59026 2039.733       121.7219 2158.933       126.1388 203.6600 6.112920 209.5243 6.157144 -5.864304      8.676301 
1 1 1 -14 2  18 o 138.3400 3.451567 937.8698       46.73800 969.7964       67.07335 907.7357       65.16307 140.4982 4.884657 135.9205 4.905952 4.577698       6.923023 
1 1 1 -14 2  19 o 70.51289 3.493459 244.2795       24.03677 217.3857       32.95299 274.8588       35.13840 66.35107 5.113303 74.68453 4.832623 -8.333466      7.035632 
1 1 1 -14 2  20 o 124.2729 3.357963 757.4236       40.80942 692.8967       55.53123 833.1924       60.17448 118.7252 4.788286 130.2154 4.728961 -11.49015      6.729841 
1 1 1 -14 2  21 o 54.20861 4.326797 145.0710       22.76795 150.1610       30.92937 139.0502       33.63843 54.96728 5.837748 52.74258 6.664318 2.224701       8.859595 
1 1 1 -14 2  22 o 59.95780 5.606684 178.1995       32.52312 178.1995       32.52312 0.000000       0.000000 59.95780 5.606684 ?        ?        ?              ?        
1 1 1 -14 2  23 o 186.4852 5.937283 1712.285       108.2392 1915.000       162.0512 1549.000       145.4393 196.6371 8.439034 176.8165 8.427612 19.82059       11.92652 
1 1 1 -14 2  24 o 134.7929 3.519594 891.5359       46.39745 896.5236       65.45556 886.4992       65.77744 134.9973 4.961979 134.2320 5.015094 0.7652893      7.054956 
1 1 1 -14 2  25 o 126.3352 3.449381 783.2422       42.61528 864.8270       61.99853 710.1747       58.67308 132.5962 4.784721 120.1107 5.001523 12.48553       6.921618 
1 1 1 -14 2  26 o 111.6801 4.622863 613.8524       50.42584 0.000000       0.000000 613.8524       50.42584 ?        ?        111.6801 4.622863 ?              ?        
1 1 1 -14 2  27 o 94.26256 4.606150 437.7660       42.37079 0.000000       0.000000 437.7660       42.37079 ?        ?        94.26256 4.606150 ?              ?        
1 1 1 -14 2  28 o 138.9850 7.209599 959.1000       97.74583 0.000000       0.000000 959.1000       97.74583 ?        ?        138.9850 7.209599 ?              ?        
1 1 1 -14 2  29 o 102.1026 3.285750 512.1873       32.79530 510.9948       45.93068 513.4276       46.84185 101.7917 4.621880 102.0205 4.703386 -0.2287445     6.594210 
1 1 1 -14 2  30 o 54.63849 4.089141 147.6530       21.71078 131.0371       30.10880 165.6501       31.33528 51.09954 6.142654 57.63750 5.625739 -6.537968      8.329535 
1 1 1 -14 2  31 o 94.96999 3.750537 444.2811       34.79615 423.3449       42.72889 485.5000       59.95432 92.52348 4.733794 98.73790 6.235251 -6.214417      7.828612 
1 1 1 -14 2  32 o 61.25718 4.319366 185.9456       25.73297 191.3371       32.64647 177.1000       41.81643 61.92278 5.441445 59.07115 7.393607 2.851627       9.180127 
1 1 1 -14 2  33 o 91.43959 3.407363 411.9907       30.44378 440.6897       43.84299 385.2685       42.30614 94.27567 4.766569 88.09324 4.925925 6.182426       6.854554 
1 1 1 -14 2  34 o 77.72942 3.560679 298.2834       27.01900 283.3448       37.88374 313.7490       38.54615 75.39119 5.164847 79.39841 4.984943 -4.007225      7.178113 
1 1 1 -14 2  35 o 93.97945 3.457179 435.9560       31.74828 401.1936       44.17007 473.1111       45.66493 89.71490 5.050266 97.53069 4.798112 -7.815788      6.966137 
1 1 1 -14 2  36 o 25.52374 7.625266 33.65516       20.50757 27.29237       28.77815 40.21993       29.23134 24.90931 9.086089 28.17954 9.209795 -3.270233      12.93744 
1 1 1 -14 2  37 o 52.14025 4.652241 136.1968       23.49418 131.0079       32.77117 141.6839       33.69987 50.47533 6.806238 52.55903 6.702807 -2.083694      9.552617 
1 1 1 -14 2  38 o 56.69122 4.424686 160.7068       24.35865 127.0104       34.04359 196.0546       34.86786 49.44714 7.248957 62.20542 5.793116 -12.75828      9.279417 
1 1 1 -14 2  39 o 47.53292 5.172759 114.3745       23.67930 118.2506       33.22367 110.3727       33.75791 47.56590 7.374421 45.74778 7.819459 1.818119       10.74830 
1 1 1 -14 2  40 o 15.99910 7.069659 -4.958376      21.75261 -14.46886      30.98324 4.286226       30.54708 17.90721 8.131052 20.50627 8.716146 -2.599062      11.91995 
1 1 1 -14 2  41 o 46.47495 5.508160 110.3272       24.57054 131.9814       35.31305 90.00548       34.20922 50.09846 7.425666 40.62509 8.853523 9.473370       11.55532 
1 1 1 -14 2  42 o 89.46016 3.759300 398.7558       32.84535 438.3366       47.60797 362.8036       45.37324 93.03177 5.249376 84.46174 5.518467 8.570030       7.616392 
1 1 1 -14 2  43 o 35.63157 8.500441 70.34981       29.23127 60.84924       33.96924 97.46000       57.38221 32.80422 9.817080 39.91922 12.89317 -7.115002      16.20521 
1 1 1 -14 2  44 o 17.75907 7.599353 2.807954       23.49861 16.37068       33.21249 -10.78677      33.25165 22.77019 9.335151 18.71750 8.468818 4.052689       12.60420 
1 1 1 -14 2  45 o 39.32801 7.572605 84.65616       28.09340 143.7000       47.31145 52.49924       34.91534 49.76387 10.05917 30.35857 10.07237 19.40531       14.23515 
1 1 1 -14 2  46 o 18.34858 7.926117 2.395824       26.02487 16.25000       44.68285 -4.716741      32.01575 24.69802 10.52128 19.00112 8.475929 5.696903       13.51069 
1 1 1 -14 2  47 o 49.58312 6.364149 130.5272       30.17599 181.1000       55.94683 109.7783       35.83550 54.92801 10.79091 44.02847 8.623875 10.89953       13.81358 
1 1 1 -14 2  48 f 50.42566 5.414967 132.4809       26.30898 108.8194       36.44392 158.2321       38.01908 43.53706 8.853723 53.82122 7.413473 -10.28416      11.54764 
1 1 1 -14 2  49 f 25.87637 8.800867 37.31076       26.64536 26.30847       33.91269 55.06000       43.07354 24.17974 9.601085 30.41902 11.11292 -6.239281      14.68598 
1 1 1 -14 2  50 o 53.97308 5.670831 153.4084       29.51221 146.8145       37.87452 163.6000       47.08675 51.26468 7.792887 52.68484 9.479267 -1.420166      12.27133 
1 1 1 -14 2  51 o 54.48485 5.022404 154.6510       26.48388 143.3793       37.85972 165.4520       37.06078 50.27913 7.957347 54.82193 7.070943 -4.542793      10.64507 
1 1 1 -14 2  52 o 39.73260 6.564111 86.63377       24.63806 97.99718       35.51522 76.09118       34.20847 40.32765 9.201098 35.05930 9.660065 5.268353       13.34080 
1 1 1 -14 2  53 o 51.23565 5.162043 137.6240       25.53556 163.7822       36.96053 113.7354       35.32072 54.40834 7.110059 44.17240 8.477265 10.23594       11.06422 
1 1 1 -14 2  54 o 52.87041 5.890340 149.6583       29.96605 133.6000       54.45985 156.6314       35.88723 43.84729 12.22950 53.13703 7.075484 -9.289734      14.12881 
1 1 1 -14 2  55 o 16.77994 7.328765 1.407698       22.76276 18.50789       32.70455 -14.65984      31.70169 22.07699 9.177431 17.17798 7.955046 4.899002       12.14529 
1 1 1 -14 2  56 o 37.87089 8.116701 84.00453       29.18336 73.74271       35.19172 106.6000       52.22025 34.01606 9.944608 38.54097 12.28506 -4.524906      15.80563 
1 1 1 -14 2  57 o 14.92087 7.098467 -26.05571      28.36876 -44.88000      33.88152 18.09000       51.88572 14.97408 7.280577 24.65751 10.90604 -9.683428      13.11291 
1 1 1 -14 2  58 o 30.97426 8.897144 59.39312       28.39635 101.8000       48.60703 37.42107       34.98776 37.64217 11.83430 25.50641 9.861991 12.13576       15.40486 
1 1 1 -14 2  59 o 17.76432 7.634676 6.511200       23.90940 1.971297       34.33588 10.78472       33.31331 19.49301 8.730603 20.50692 8.912510 -1.013918      12.47623 
1 1 1 -14 3  1  o 163.8222 3.614399 1314.422       57.95824 1299.997       81.78576 1328.974       82.14608 162.7802 5.139423 164.5889 5.105116 -1.808624      7.244024 
1 1 1 -14 3  2  o 309.6690 8.479698 4715.432       256.7883 0.000000       0.000000 4715.432       256.7883 ?        ?        309.6690 8.479698 ?              ?        
1 1 1 -14 3  3  o 197.1889 4.112286 1904.817       79.37286 1927.182       113.3885 1883.328       111.1455 198.1611 5.852215 195.8961 5.802818 2.264999       8.241427 
1 1 1 -14 3  4  o 130.6145 4.572254 836.9645       58.36571 0.000000       0.000000 836.9645       58.36571 ?        ?        130.6145 4.572254 ?              ?        
1 1 1 -14 3  5  o 243.7265 4.866540 2911.275       116.0992 2914.347       164.4113 2908.221       163.9678 243.5877 6.902531 243.3328 6.891110 0.2549133      9.753580 
1 1 1 -14 3  6  o 192.3504 4.054624 1812.565       76.33961 1865.937       109.9964 1762.969       106.0336 194.9779 5.769856 189.5216 5.722376 5.456345       8.126305 
1 1 1 -14 3  7  o 338.9766 6.498314 5638.555       215.6138 5701.014       307.4406 5578.099       302.4682 340.2654 9.239304 336.5857 9.189342 3.679718       13.03107 
1 1 1 -14 3  8  o 92.49888 3.030455 419.4465       27.40085 419.5510       38.54793 419.3397       38.95660 92.43409 4.272074 92.40738 4.318882 0.2671051E-01  6.074813 
1 1 1 -14 3  9  o 80.52988 3.117503 318.0763       24.52726 311.3301       34.26914 325.1617       35.12007 79.58197 4.416609 81.33497 4.428054 -1.752998      6.254127 
1 1 1 -14 3  10 o 176.0176 3.830956 1517.938       66.00388 1525.911       93.61983 1510.059       93.06977 176.3008 5.431572 175.3822 5.428003 0.9186707      7.678880 
1 1 1 -14 3  11 o 188.7470 4.018384 1745.736       74.23995 1728.281       104.3511 1763.626       105.6431 187.5979 5.689384 189.5068 5.701698 -1.908920      8.054715 
1 1 1 -14 3  12 o 36.93793 5.048469 68.15067       17.77602 75.08075       24.40164 60.31460       25.94769 38.54589 6.711167 34.33883 7.886292 4.207058       10.35535 
1 1 1 -14 3  13 o 157.2021 3.597108 1210.802       55.35004 1240.948       79.21686 1182.046       77.36940 158.9774 5.097271 155.1542 5.101411 3.823151       7.211558 
1 1 1 -14 3  14 o 156.0564 3.601287 1193.283       55.01049 1191.555       77.67889 1195.022       77.91482 155.7696 5.101530 155.9954 5.109619 -0.2257996     7.220375 
1 1 1 -14 3  15 o 21.15266 7.086943 20.63163       17.27732 14.60773       22.94201 28.52422       26.26047 20.94021 8.014401 25.29652 8.732991 -4.356306      11.85309 
1 1 1 -14 3  16 o 130.6437 3.350838 836.8127       42.81437 826.8190       60.03506 847.1558       61.07568 129.7451 4.735186 131.3307 4.758985 -1.585693      6.713414 
1 1 1 -14 3  17 o 148.2114 3.545670 1076.515       51.43826 1034.131       71.44194 1122.137       74.12141 145.0791 5.038506 151.1358 5.017329 -6.056641      7.110565 
1 1 1 -14 3  18 o 236.7840 4.800639 2751.087       111.2648 2654.465       153.8077 2857.158       161.1535 232.1945 6.774615 240.8895 6.841568 -8.695053      9.628211 
1 1 1 -14 3  19 o 135.5511 3.450670 901.0922       45.74665 891.4913       64.16585 911.0168       65.23856 134.6894 4.875074 136.1551 4.903135 -1.465698      6.914267 
1 1 1 -14 3  20 o 115.8015 3.333208 657.7413       37.74250 671.7140       53.38801 643.7813       53.36392 116.9036 4.675051 114.4325 4.774712 2.471069       6.682363 
1 1 1 -14 3  21 o 109.6469 4.681634 591.1165       50.13021 591.1165       50.13021 0.000000       0.000000 109.6469 4.681634 ?        ?        ?              ?        
1 1 1 -14 3  22 o 166.4708 5.569503 1363.483       90.62518 1529.000       135.6350 1230.000       121.8044 175.8388 7.900625 157.6703 7.917697 18.16844       11.18525 
1 1 1 -14 3  23 o 149.4492 3.641090 1095.211       53.26369 1077.583       74.35950 1113.786       76.33167 148.0125 5.140336 150.4740 5.190245 -2.461441      7.304909 
1 1 1 -14 3  24 o 105.1340 3.353047 542.4646       34.46145 525.8181       47.69457 560.6486       49.84844 103.3636 4.726569 106.7320 4.783611 -3.368355      6.724833 
1 1 1 -14 3  25 o 328.6259 7.368881 5333.407       237.0334 5297.000       406.8878 5352.108       291.6281 324.3109 12.84300 328.3153 9.083425 -4.004395      15.73059 
1 1 1 -14 3  26 o 164.5972 4.298217 1331.419       69.19029 1246.000       113.9069 1381.365       87.10037 158.5908 7.357849 167.4758 5.320015 -8.884995      9.079676 
1 1 1 -14 3  27 o 111.5149 3.885636 611.2487       42.34841 638.8000       78.45846 599.9222       50.30568 113.4414 7.101433 110.3700 4.667037 3.071434       8.497740 
1 1 1 -14 3  28 o 136.0672 4.053216 910.3889       53.92313 892.9000       95.45299 918.5862       65.34973 134.0477 7.302424 136.5320 4.897871 -2.484314      8.792869 
1 1 1 -14 3  29 o 172.9153 5.557584 1477.015       93.94229 0.000000       0.000000 1477.015       93.94229 ?        ?        172.9153 5.557584 ?              ?        
1 1 1 -14 3  30 o 62.12399 3.778978 190.4042       22.87077 207.1132       31.45849 171.6715       33.30909 64.61404 5.013180 58.63002 5.883553 5.984020       7.729693 
1 1 1 -14 3  31 o 69.04169 3.613457 235.0203       24.33471 234.5009       33.94587 235.5694       34.90303 68.71902 5.082631 68.84958 5.217967 -0.1305542     7.284251 
1 1 1 -14 3  32 o 31.76247 7.031175 52.29223       21.28180 50.35675       26.73507 55.64000       35.16126 31.10665 8.527639 32.88066 10.02015 -1.774012      13.15766 
1 1 1 -14 3  33 o 46.55771 5.235540 108.7663       23.44633 74.93652       29.13832 170.9000       39.48918 37.86377 8.106560 57.99926 7.103984 -20.13549      10.77882 
1 1 1 -14 3  34 o 99.42664 3.403906 487.3831       33.07849 488.8482       46.96485 485.9409       46.59740 99.20389 4.851287 98.91492 4.827332 0.2889633      6.843838 
1 1 1 -14 3  35 o 42.90518 5.252814 92.91212       21.60053 92.96597       30.37861 92.85706       30.71977 42.25016 7.626262 42.19530 7.722342 0.5485916E-01  10.85332 
1 1 1 -14 3  36 o 20.55954 7.578211 17.54619       20.10121 -2.374644      28.06665 38.52517       28.80242 18.82895 8.181959 27.68872 9.146822 -8.859774      12.27228 
1 1 1 -14 3  37 o 99.27488 3.475004 487.2632       33.71558 485.5117       47.39122 489.0582       47.97621 98.59607 4.926176 98.93874 4.969884 -0.3426666     6.997639 
1 1 1 -14 3  38 o 29.09753 7.559938 44.94879       21.72419 13.06251       29.97655 80.21960       31.52736 22.02114 8.928388 38.66842 8.556350 -16.64728      12.36637 
1 1 1 -14 3  39 o 24.46848 7.878350 30.48216       21.43622 4.856781       30.13223 56.74023       30.50195 20.53569 8.689602 32.38209 9.195213 -11.84640      12.65153 
1 1 1 -14 3  40 o 58.33319 4.483966 170.6652       25.40629 185.7099       36.21688 156.0882       35.64967 60.20845 6.235516 54.92632 6.774224 5.282131       9.207158 
1 1 1 -14 3  41 o 31.52897 7.609338 53.43904       23.21301 63.96151       32.76949 42.84090       32.88713 34.04129 9.483524 28.74703 9.777492 5.294268       13.62118 
1 1 1 -14 3  42 o 116.1084 4.320247 675.0585       49.01403 676.1772       59.12381 672.6000       87.64418 115.5929 5.239083 112.8767 7.984063 2.716209       9.549516 
1 1 1 -14 3  43 o 27.32285 8.273849 40.59925       24.02526 15.77889       32.88588 69.01003       35.18414 22.75041 9.303720 34.77757 9.875899 -12.02716      13.56807 
1 1 1 -14 3  44 o 15.78726 7.227987 -13.13040      25.13932 -23.46000      39.45039 -6.067961      32.62024 19.03294 8.834826 19.12991 8.542974 -0.9696960E-01 12.28969 
1 1 1 -14 3  45 o 58.36692 5.418808 175.7963       30.60475 168.9000       50.11428 179.8981       38.64906 54.24083 9.799636 58.13050 6.928708 -3.889671      12.00166 
1 1 1 -14 3  46 f 33.25485 7.693071 61.53666       24.54358 44.23224       34.16664 79.98708       35.27986 28.26761 9.948138 36.92573 9.654054 -8.658125      13.86240 
1 1 1 -14 3  47 o 40.39815 6.476291 87.44515       24.74414 96.68598       35.05828 78.27231       34.92907 41.00537 8.983546 36.41200 9.647317 4.593369       13.18237 
1 1 1 -14 3  48 o 35.52139 8.607157 72.67245       29.60885 140.3000       55.28909 45.47862       35.06008 46.72283 12.02063 28.33924 10.06774 18.38358       15.67976 
1 1 1 -14 3  49 o 26.56257 8.247604 40.01333       23.68562 18.47520       33.65822 61.14248       33.33713 22.70588 9.362523 31.89820 9.763797 -9.192326      13.52733 
1 1 1 -14 3  50 o 25.19337 8.718716 35.23589       26.18106 29.39804       33.93530 43.82000       41.15030 24.63376 9.658871 28.01736 10.73089 -3.383598      14.43765 
1 1 1 -14 3  51 o 61.54245 5.093332 197.4105       30.40743 191.6876       38.73528 206.6000       49.08477 59.27167 6.799542 59.77879 8.638939 -0.5071182     10.99386 
1 1 1 -14 3  52 o 47.20256 5.479376 117.9955       24.84660 108.2812       35.37256 127.4568       34.90882 42.84241 8.731626 47.36274 7.801330 -4.520332      11.70906 
1 1 1 -14 3  53 o 27.25364 8.752135 43.78993       26.46684 58.21548       34.01034 21.64000       42.14354 30.61553 9.929149 24.15614 10.25147 6.459389       14.27167 
1 1 1 -14 3  54 o 36.01700 7.060331 72.89377       24.00060 76.22879       34.53485 69.77833       33.37862 34.91194 9.739154 33.44514 9.658257 1.466797       13.71616 
1 1 1 -14 3  55 o 46.27805 6.851535 118.6189       30.09980 119.5245       36.22675 116.6000       54.09127 45.09676 8.519002 40.35455 12.45263 4.742214       15.08779 
1 1 1 -14 3  56 o 37.25882 6.929889 77.91926       24.34334 71.23997       34.84583 84.28656       34.02230 33.41742 9.929093 36.86917 9.400165 -3.451752      13.67297 
1 1 1 -14 3  57 f 16.22795 7.433846 -9.776236      26.64067 -13.21000      44.88641 -7.908872      33.10122 20.32210 9.430017 18.25326 8.333081 2.068846       12.58433 
1 1 1 -14 3  58 o 17.80178 7.995948 -2.415926      29.02704 8.368146       34.78405 -27.15000      52.67888 20.60800 9.028710 20.45254 9.713741 0.1554585      13.26176 
1 1 1 -14 3  59 o 20.99624 8.158714 22.06214       24.03631 50.09716       34.84649 -3.383585      33.19831 27.81468 10.01898 18.55390 8.421535 9.260775       13.08825 
1 1 1 -14 4  1  o 265.9051 7.404443 3473.970       192.5317 0.000000       0.000000 3473.970       192.5317 ?        ?        265.9051 7.404443 ?              ?        
1 1 1 -14 4  2  o 421.4615 7.956620 8725.185       328.2410 8862.832       469.5304 8593.610       459.0526 423.8344 11.32794 417.3669 11.24693 6.467529       15.96295 
1 1 1 -14 4  3  o 279.6154 6.323409 3835.396       173.0687 4310.000       324.9805 3647.506       204.4768 295.4570 11.25776 272.4236 7.675848 23.03345       13.62556 
1 1 1 -14 4  4  f 79.76848 3.005610 312.0232       23.42570 315.4975       33.39285 308.6566       32.87120 80.13280 4.272773 79.25827 4.252632 0.8745346      6.028389 
1 1 1 -14 4  5  o 287.4830 5.600776 4052.568       157.6038 4164.428       227.1266 3948.690       218.8733 291.0295 7.980588 283.3987 7.897913 7.630798       11.22795 
1 1 1 -14 4  6  o 38.46591 4.596921 73.54130       16.96585 86.53873       23.28421 58.83043       24.77148 41.59606 5.882766 33.94130 7.640934 7.654762       9.643174 
1 1 1 -14 4  7  o 128.0765 3.235926 803.8765       40.53463 825.3628       58.20564 783.6436       56.48245 129.6922 4.592309 126.3691 4.573867 3.323090       6.481478 
1 1 1 -14 4  8  o 113.3349 3.122764 629.5394       34.60948 655.4155       49.71140 605.1993       48.21337 115.5629 4.402775 111.0379 4.444969 4.525017       6.256371 
1 1 1 -14 4  9  o 206.9674 4.289057 2099.205       86.89004 2115.128       123.6985 2083.696       122.0796 207.5222 6.096277 205.9772 6.061645 1.544968       8.596985 
1 1 1 -14 4  10 o 216.2275 4.435474 2291.636       93.87656 2293.736       132.8676 2289.544       132.6557 216.0733 6.288894 215.8761 6.284597 0.1971588      8.890801 
1 1 1 -14 4  11 o 107.2489 3.126171 563.8566       32.78295 595.8069       47.21436 534.1135       45.55437 110.1637 4.387316 104.2881 4.473011 5.875587       6.265490 
1 1 1 -14 4  12 o 213.5903 4.400855 2236.377       92.00784 2292.215       132.1281 2183.811       128.1983 215.9716 6.256773 210.8038 6.219749 5.167877       8.822271 
1 1 1 -14 4  13 o 202.3223 4.236134 2006.526       83.89184 1885.081       114.5206 2147.168       123.2407 195.8614 5.980503 209.0390 6.029408 -13.17758      8.492360 
1 1 1 -14 4  14 o 81.38132 3.174272 324.9257       25.23721 327.3878       35.04738 322.2740       36.37102 81.59814 4.404349 80.93831 4.609934 0.6598282      6.375718 
1 1 1 -14 4  15 o 224.3072 4.586636 2467.439       100.7033 2427.073       140.9936 2509.476       143.8822 222.1449 6.491168 225.8837 6.514332 -3.738800      9.196292 
1 1 1 -14 4  16 o 75.47656 3.329871 279.6653       24.54005 274.2929       33.76171 285.6828       35.73177 74.63688 4.644319 76.15951 4.817877 -1.522629      6.691908 
1 1 1 -14 4  17 o 122.1611 3.313970 731.7722       39.59008 668.1017       53.75879 807.2242       58.52158 116.6025 4.719911 128.1920 4.671708 -11.58952      6.640965 
1 1 1 -14 4  18 o 45.51864 4.611473 102.6842       20.26320 95.75588       27.47004 110.9536       30.01127 43.63476 6.640805 47.02763 6.709698 -3.392868      9.440356 
1 1 1 -14 4  19 o 150.3188 3.603582 1107.580       53.02174 1060.571       73.23289 1159.372       76.86717 146.8925 5.101055 153.5877 5.120186 -6.695190      7.227521 
1 1 1 -14 4  20 o 107.3100 4.670938 566.1769       48.94510 566.1769       48.94510 0.000000       0.000000 107.3100 4.670938 ?        ?        ?              ?        
1 1 1 -14 4  21 o 75.30747 5.605139 280.2142       41.02089 195.5000       56.53502 374.4000       59.61180 62.13039 9.605797 86.90047 7.069166 -24.77007      11.92663 
1 1 1 -14 4  22 o 170.0613 4.465267 1420.292       74.26483 1631.000       134.8974 1328.658       88.95947 181.6742 7.602647 164.3265 5.538592 17.34770       9.406181 
1 1 1 -14 4  23 o 216.7952 4.524399 2307.233       96.01005 2272.284       134.2654 2343.803       137.3444 214.7296 6.395142 218.0748 6.441328 -3.345154      9.076814 
1 1 1 -14 4  24 o 167.3064 4.390543 1375.104       71.83919 1569.000       129.6569 1289.210       86.29651 178.1073 7.453646 161.8261 5.455819 16.28125       9.237034 
1 1 1 -14 4  25 o 252.3614 5.849228 3135.178       144.4866 3284.000       255.7024 3065.372       175.1244 256.5669 10.20222 249.0643 7.190912 7.502640       12.48177 
1 1 1 -14 4  26 o 87.13184 3.299743 372.8659       28.09168 373.6751       40.22404 372.0954       39.24916 87.06528 4.737770 86.89438 4.631312 0.1709061      6.625369 
1 1 1 -14 4  27 o 74.84953 3.408711 275.4341       24.90830 276.8759       35.36831 274.0153       35.08472 74.87323 4.852065 74.48576 4.838324 0.3874664      6.852146 
1 1 1 -14 4  28 o 63.62490 4.505652 200.0689       27.87871 134.8000       51.66093 226.8862       33.11439 50.88403 10.71165 67.69808 5.033299 -16.81405      11.83526 
1 1 1 -14 4  29 o 163.0820 4.397169 1309.570       70.12760 1314.000       124.3031 1307.502       84.93507 162.2901 7.848258 162.7195 5.339861 -0.4293976     9.492590 
1 1 1 -14 4  30 o 69.33144 5.093174 238.4357       34.32285 0.000000       0.000000 238.4357       34.32285 ?        ?        69.33144 5.093174 ?              ?        
1 1 1 -14 4  31 o 131.7791 4.050654 855.8552       52.18697 868.1075       63.80769 831.1000       90.69836 132.4995 4.928446 128.8862 7.218143 3.613327       8.740204 
1 1 1 -14 4  32 o 65.14845 3.741939 209.6431       23.76163 190.5163       33.00611 230.2215       34.23565 61.75441 5.518439 68.00582 5.182138 -6.251415      7.570186 
1 1 1 -14 4  33 o 111.9108 4.511071 620.0261       49.31365 621.9000       68.41817 618.0000       71.14159 111.4810 6.295536 111.0193 6.576107 0.4617310      9.103787 
1 1 1 -14 4  34 o 50.01133 5.051036 125.3281       24.38757 146.5294       30.98645 90.82000       39.53231 53.88105 5.975646 41.20090 9.921706 12.68015       11.58225 
1 1 1 -14 4  35 o 25.33862 7.479659 33.13430       19.82649 31.78602       27.44560 34.60580       28.67239 25.83104 8.927398 26.72530 9.128698 -0.8942547     12.76838 
1 1 1 -14 4  36 o 110.0284 3.413787 597.8541       36.72160 589.0516       51.50213 606.9568       52.37320 108.7194 4.851849 110.3591 4.860281 -1.639618      6.867516 
1 1 1 -14 4  37 o 22.07270 7.730327 22.62610       20.61376 -9.705125      28.15168 60.00036       30.26771 17.69814 7.917609 33.40958 9.038471 -15.71144      12.01593 
1 1 1 -14 4  38 f 76.65006 3.741411 291.5402       27.98596 287.8882       39.09177 295.3798       40.08308 75.64381 5.313456 76.60002 5.380181 -0.9562073     7.561690 
1 1 1 -14 4  39 o 69.21210 3.995600 238.5072       26.95382 236.1896       37.80505 240.9034       38.43980 68.27505 5.709160 68.94112 5.748620 -0.6660690     8.101922 
1 1 1 -14 4  40 o 71.85049 3.960616 257.2416       27.74696 260.6283       38.94830 253.7514       39.53861 71.69698 5.594101 70.66325 5.766481 1.033730       8.034070 
1 1 1 -14 4  41 o 66.04798 5.058982 220.3667       32.45717 222.1955       38.53321 215.9000       60.21933 65.89248 6.041560 62.57117 10.18208 3.321308       11.83956 
1 1 1 -14 4  42 o 19.09259 7.787946 9.487382       22.97111 24.25007       31.96560 -6.277490      33.03279 24.31671 9.419806 19.45334 8.647761 4.863377       12.78736 
1 1 1 -14 4  43 o 33.30428 8.131411 61.20223       26.27351 76.92000       40.39745 49.68004       34.58803 36.35294 10.66224 30.03423 10.02668 6.318708       14.63617 
1 1 1 -14 4  44 o 21.35381 8.395039 17.62860       25.69402 24.10000       39.28932 12.79277       33.96341 25.19793 10.21971 22.28231 9.314465 2.915617       13.82757 
1 1 1 -14 4  45 o 42.33248 6.221356 94.71904       25.01050 89.43478       35.33915 100.0219       35.40131 39.43291 9.306518 42.02621 8.884144 -2.593296      12.86621 
1 1 1 -14 4  46 o 33.53049 7.646507 62.49413       24.53808 76.62556       34.45418 47.94853       34.95543 36.15832 9.582164 29.12847 10.07464 7.029854       13.90382 
1 1 1 -14 4  47 o 72.75055 4.097847 267.5861       29.06290 257.6093       40.82334 277.8391       41.38471 70.11218 6.006327 72.95446 5.844220 -2.842278      8.380386 
1 1 1 -14 4  48 o 83.56165 6.094114 367.4889       49.50258 339.9000       68.80157 397.1000       71.27856 76.89795 9.331384 83.79723 8.822273 -6.899277      12.84162 
1 1 1 -14 4  49 o 41.63466 7.443283 96.23301       29.22024 92.69000       55.30258 97.60522       34.41668 37.02380 12.67713 40.97883 8.840282 -3.955036      15.45510 
1 1 1 -14 4  50 f 40.47961 7.475748 91.63013       28.52992 75.68000       53.24917 98.05239       33.78894 33.81425 12.35561 41.04989 8.680905 -7.235641      15.10031 
1 1 1 -14 4  51 o 65.61600 4.791484 222.7730       30.56203 236.0973       39.15545 202.0000       48.89004 66.48570 6.084060 58.99282 8.729920 7.492882       10.64083 
1 1 1 -14 4  52 o 75.10069 4.511523 290.2611       33.01158 272.7726       41.78603 319.3000       53.84478 71.44189 6.031769 75.83526 7.345688 -4.393364      9.504807 
1 1 1 -14 4  53 o 53.84292 5.016955 151.4727       26.13654 136.3927       37.58664 165.5912       36.36873 48.67079 8.179499 54.81644 6.932959 -6.145649      10.72241 
1 1 1 -14 4  54 o 32.42249 8.897676 63.68930       29.08820 53.42854       34.99389 86.63000       52.32454 29.30452 10.08258 34.97523 12.31081 -5.670712      15.91271 
1 1 1 -14 4  55 o 39.25441 6.653119 85.27043       24.65148 124.0095       35.83088 50.45371       33.96854 46.19982 8.224928 28.59870 9.929299 17.60112       12.89342 
1 1 1 -14 4  56 o 34.36044 8.516304 70.82137       28.49745 88.36000       49.70944 62.23556       34.78017 35.24437 12.02020 31.19296 10.03446 4.051411       15.65808 
1 1 1 -14 4  57 o 37.07022 7.359417 78.52769       25.76166 72.70367       37.47166 83.74767       35.47523 33.33107 10.37771 36.35698 9.763292 -3.025909      14.24847 
1 1 1 -14 4  58 o 57.30830 5.778946 177.0383       31.97468 204.0000       56.00161 163.9977       38.94707 56.07881 10.59030 53.36374 7.676920 2.715076       13.08012 
1 1 1 -14 4  59 o 19.58809 7.977706 15.79342       24.05927 64.89984       35.30925 -26.76601      32.87132 31.10266 10.11920 15.97655 7.612062 15.12610       12.66261 
1 1 1 -14 5  1  o 289.0752 6.510935 4100.229       184.2300 4803.000       356.1829 3843.545       215.2613 311.7717 11.69231 279.6062 7.873094 32.16550       14.09595 
1 1 1 -14 5  2  o 401.3155 7.597656 7909.840       298.4501 8065.539       428.0782 7762.583       416.3121 404.3778 10.82481 396.7319 10.73037 7.645905       15.24196 
1 1 1 -14 5  3  o 288.5369 5.618781 4082.455       158.6900 4160.584       227.5526 4008.482       221.4164 290.8869 7.999518 285.5279 7.930048 5.359070       11.26401 
1 1 1 -14 5  4  o 135.9584 3.287495 905.2789       43.74992 888.6757       61.87282 921.8808       61.87064 134.5763 4.704285 137.0768 4.617798 -2.500519      6.591991 
1 1 1 -14 5  5  o 86.03064 3.001601 362.8788       25.23751 357.8073       35.66991 367.9624       35.71259 85.34659 4.283514 86.55627 4.227976 -1.209679      6.018661 
1 1 1 -14 5  6  o 440.6444 8.312193 9546.472       358.5172 9688.659       512.6524 9410.366       501.5691 442.7198 11.84071 436.3423 11.75420 6.377472       16.68423 
1 1 1 -14 5  7  o 268.0349 5.279408 3522.847       138.5105 3614.448       199.5103 3437.616       192.4475 271.1257 7.525035 264.4186 7.442969 6.707092       10.58414 
1 1 1 -14 5  8  o 133.2820 3.307996 870.0847       43.15615 865.3171       61.19466 874.8020       60.87064 132.7791 4.715935 133.5098 4.665051 -0.7306976     6.633456 
1 1 1 -14 5  9  o 151.2735 3.519115 1121.004       52.10775 1090.488       73.27195 1152.230       74.11833 149.0434 5.029693 153.2165 4.948617 -4.173141      7.055963 
1 1 1 -14 5  10 o 72.40062 3.189810 257.2470       22.54997 252.0080       31.39730 262.8286       32.40765 71.55932 4.505363 73.08124 4.553004 -1.521919      6.405321 
1 1 1 -14 5  11 o 318.6822 6.153726 4986.025       191.9562 5060.278       274.2715 4914.733       268.7470 320.4162 8.753203 315.7840 8.702852 4.632233       12.34335 
1 1 1 -14 5  12 o 105.7897 3.116833 548.6595       32.23959 585.0142       46.39589 514.7148       44.83166 109.1561 4.351074 102.3657 4.485176 6.790321       6.248891 
1 1 1 -14 5  13 o 45.67258 4.170186 103.0986       18.43760 124.1488       24.94200 77.73718       27.37722 50.04141 5.166268 39.11989 7.421097 10.92152       9.042290 
1 1 1 -14 5  14 o 310.1964 6.014492 4725.291       182.6173 4722.786       258.2133 4727.796       258.3064 309.4671 8.532430 309.6317 8.530955 -0.1646118     12.06564 
1 1 1 -14 5  15 o 68.77633 3.383641 232.3266       22.70881 249.3725       31.36387 213.5437       32.92303 71.16557 4.525949 65.76714 5.155462 5.398430       6.860248 
1 1 1 -14 5  16 o 205.9736 4.312087 2080.438       86.93711 1995.327       120.0188 2174.396       126.1019 201.4277 6.094300 210.2734 6.133316 -8.845734      8.646275 
1 1 1 -14 5  17 o 119.1099 3.283461 695.6994       38.24471 658.0336       52.60345 737.9330       55.70182 115.7217 4.653502 122.5568 4.651732 -6.835152      6.579794 
1 1 1 -14 5  18 o 41.40477 5.812122 85.85993       22.90775 95.36504       25.99397 52.81000       48.47068 43.60377 6.270445 34.24726 11.86255 9.356514       13.41784 
1 1 1 -14 5  19 o 131.5014 5.047677 850.1841       64.85162 898.3000       93.03123 804.7000       90.45126 134.8879 7.070805 127.6142 7.271274 7.273674       10.14237 
1 1 1 -14 5  20 o 69.45394 4.247190 237.5049       28.73580 230.9965       33.99348 253.8000       53.78812 68.39862 5.114438 71.31648 7.834152 -2.917862      9.355823 
1 1 1 -14 5  21 o 157.6707 3.697998 1218.889       57.07210 1140.994       77.90493 1309.119       83.84645 152.3226 5.232868 163.1683 5.256660 -10.84564      7.417235 
1 1 1 -14 5  22 o 98.93864 3.362282 480.3963       32.51433 473.2751       44.79132 488.3287       47.27343 98.07528 4.679319 99.60531 4.863436 -1.530029      6.749002 
1 1 1 -14 5  23 o 155.6419 5.248269 1191.897       79.84122 0.000000       0.000000 1191.897       79.84122 ?        ?        155.6419 5.248269 ?              ?        
1 1 1 -14 5  24 o 132.3854 3.920030 860.6379       50.74078 901.9000       84.51453 837.3821       63.44854 135.1502 6.406881 130.4478 4.978249 4.702469       8.113636 
1 1 1 -14 5  25 o 95.75990 3.278192 450.1758       30.68198 394.4962       42.31712 511.8884       44.55075 89.46313 4.850574 101.9911 4.473469 -12.52794      6.598484 
1 1 1 -14 5  26 o 93.48801 3.244763 429.1495       29.64737 419.6731       41.64112 438.8913       42.22032 92.29254 4.624186 94.39262 4.583289 -2.100082      6.510732 
1 1 1 -14 5  27 o 148.6926 3.595265 1085.150       52.32707 1101.283       74.96130 1069.817       73.07796 149.4877 5.130616 147.3453 5.074492 2.142441       7.216210 
1 1 1 -14 5  28 o 221.0163 4.584416 2403.288       99.17784 2496.642       143.4194 2317.734       137.2980 224.5715 6.531438 216.3846 6.489676 8.186920       9.207365 
1 1 1 -14 5  29 o 148.2951 4.206502 1082.653       60.99792 1018.000       105.7169 1114.919       74.68380 142.8479 7.587962 150.2881 5.084184 -7.440231      9.133789 
1 1 1 -14 5  30 o 121.7390 3.961940 729.8665       47.14821 669.2000       82.46043 759.3324       57.46869 115.6911 7.319329 124.0091 4.743216 -8.317986      8.721850 
1 1 1 -14 5  31 o 34.76677 8.273611 63.06127       27.74625 0.000000       0.000000 63.06127       27.74625 ?        ?        34.76677 8.273611 ?              ?        
1 1 1 -14 5  32 o 28.69474 7.745891 42.76215       22.25896 38.68847       26.09941 53.63000       42.62937 27.70687 8.666211 33.00976 11.13259 -5.302887      14.10808 
1 1 1 -14 5  33 o 60.66908 3.898896 182.2531       23.03086 174.6086       32.17081 190.2898       32.98557 59.00287 5.638870 61.64592 5.525082 -2.643047      7.894516 
1 1 1 -14 5  34 o 62.61366 4.340852 194.8324       26.43950 179.6733       32.57483 224.1000       45.26242 59.80221 5.631200 66.38466 7.074557 -6.582447      9.042111 
1 1 1 -14 5  35 o 65.24413 4.231635 211.6221       26.87860 202.0882       33.31516 229.4000       45.49313 63.43595 5.417168 67.05624 7.035726 -3.620289      8.879592 
1 1 1 -14 5  36 f 82.91991 3.516265 340.0580       28.47473 327.5956       40.01888 352.8374       40.52459 80.92558 5.077703 84.04154 4.948168 -3.115959      7.089953 
1 1 1 -14 5  37 o 39.86901 5.724411 81.26588       21.69960 81.64040       29.74689 80.83993       31.72420 39.23613 8.016611 38.86069 8.570771 0.3754463      11.73559 
1 1 1 -14 5  38 o 16.42682 7.036371 0.4295484      20.18318 10.66190       27.28866 -11.92779      29.98865 20.80480 8.487597 17.96766 8.094021 2.837143       11.72828 
1 1 1 -14 5  39 f 13.56065 6.333948 -18.55287      20.78173 -50.09742      28.22084 18.81931       30.71723 13.37738 6.535130 23.25614 9.167994 -9.878759      11.25878 
1 1 1 -14 5  40 o 74.30933 4.534687 276.6666       32.82647 260.4187       38.27066 321.9000       63.85536 71.69755 5.495131 78.01668 8.499123 -6.319130      10.12085 
1 1 1 -14 5  41 o 29.16262 7.997386 45.94659       23.50911 49.46785       31.49149 41.51385       35.33290 30.23307 9.528345 28.61600 10.11252 1.617073       13.89433 
1 1 1 -14 5  42 o 82.57246 4.270845 341.9536       34.40147 330.7000       53.69777 349.7878       44.80331 79.63559 6.958621 82.83008 5.558236 -3.194489      8.905974 
1 1 1 -14 5  43 o 27.90815 8.537004 42.67719       25.49124 -17.27000      37.52261 94.05783       34.73829 19.25341 8.820765 41.02867 8.906034 -21.77526      12.53488 
1 1 1 -14 5  44 o 48.63496 5.391882 122.1887       25.23746 114.9568       34.91782 130.0988       36.51828 45.72345 8.098293 48.81635 7.913249 -3.092892      11.32263 
1 1 1 -14 5  45 o 28.50426 8.084166 45.39865       23.59075 66.17031       33.28573 24.43462       33.43951 33.70965 9.616742 24.13429 9.549541 9.575361       13.55269 
1 1 1 -14 5  46 o 67.90611 4.323586 233.8145       28.58891 232.1428       40.96326 235.4021       39.91863 66.32976 6.388202 66.96534 6.158965 -0.6355820     8.873668 
1 1 1 -14 5  47 o 56.69001 4.825134 164.9114       26.52034 135.2317       37.65477 194.1249       37.35786 49.31804 8.079778 60.51855 6.403500 -11.20051      10.30959 
1 1 1 -14 5  48 o 25.32745 9.078223 34.44679       28.56988 111.7000       54.98156 5.871984       33.43878 40.90388 12.54253 20.68995 8.960983 20.21393       15.41474 
1 1 1 -14 5  49 o 34.28527 7.315760 65.65401       23.80277 43.29905       34.34084 86.32523       33.02227 27.61160 9.946002 38.36341 8.957335 -10.75181      13.38495 
1 1 1 -14 5  50 o 53.66712 5.840739 152.6802       30.18750 168.6000       58.17601 146.8142       35.31383 50.77292 11.91247 51.64719 7.179244 -0.8742676     13.90858 
1 1 1 -14 5  51 o 29.73302 9.511318 53.65868       31.27983 39.55000       52.22770 61.55000       39.06003 27.84991 11.58909 31.22063 10.65497 -3.370718      15.74279 
1 1 1 -14 5  52 o 27.14236 8.831391 43.46965       26.89364 -33.24000      50.71574 73.47890       31.72088 20.04488 9.523260 34.76588 9.185400 -14.72101      13.23118 
1 1 1 -14 5  53 o 42.46836 9.333741 109.4010       37.73911 109.4010       37.73911 0.000000       0.000000 42.46836 9.333741 ?        ?        ?              ?        
1 1 1 -14 5  54 o 51.52966 5.264352 139.9976       26.18001 169.8568       38.57623 114.5031       35.64547 55.05904 7.340615 44.08595 8.569095 10.97309       11.28335 
1 1 1 -14 5  55 o 29.99674 8.865432 54.56620       27.83972 98.33000       49.86022 34.74195       33.55792 37.38798 12.01327 25.18760 9.679467 12.20038       15.42759 
1 1 1 -14 5  56 o 57.31671 4.975939 172.1591       27.64026 157.9023       39.12752 186.3602       39.05106 52.43025 7.866668 57.82437 7.044694 -5.394119      10.55993 
1 1 1 -14 5  57 o 37.25441 7.343836 79.32932       25.82736 52.73405       37.04747 104.4766       36.02480 28.83683 10.33755 41.33598 9.146062 -12.49915      13.80273 
1 1 1 -14 5  58 o 36.16564 7.495899 75.97514       25.66304 102.3559       38.01540 53.88692       34.78535 39.97668 9.793593 28.87691 10.04669 11.09977       14.03034 
1 1 1 -14 5  59 o 34.44456 10.24436 80.36298       37.07935 103.9000       53.00104 57.80000       51.89277 36.45612 12.41221 28.87276 11.73220 7.583363       17.07944 
1 1 1 -14 6  1  o 329.0776 7.302752 5318.199       235.2292 4891.000       384.9553 5572.762       297.1613 314.2942 12.53834 336.4370 9.031819 -22.14282      15.45263 
1 1 1 -14 6  2  o 271.1217 5.321849 3604.141       141.2320 3721.383       204.3812 3496.992       195.3866 275.1310 7.596457 266.7172 7.491486 8.413757       10.66905 
1 1 1 -14 6  3  o 404.5018 7.658003 8038.705       303.2090 8167.042       433.8059 7916.123       423.9680 406.7744 10.90505 400.4973 10.82495 6.277130       15.36553 
1 1 1 -14 6  4  o 157.0856 3.547978 1208.690       54.55363 1155.143       75.87912 1265.983       78.48796 153.4169 5.059846 160.6216 4.998294 -7.204651      7.112312 
1 1 1 -14 6  5  o 230.5508 4.652050 2605.279       104.9826 2637.677       150.0113 2574.181       146.9711 231.7101 6.620917 228.9091 6.566162 2.801056       9.324753 
1 1 1 -14 6  6  o 40.19432 4.184711 80.02100       16.22326 85.24195       22.35433 74.21130       23.58109 41.30253 5.679642 38.35616 6.513641 2.946373       8.642097 
1 1 1 -14 6  7  o 312.8307 6.054644 4802.416       185.3977 4809.557       263.3139 4795.395       261.0841 312.5179 8.616033 312.0706 8.555223 0.4473267      12.14199 
1 1 1 -14 6  8  o 259.0141 5.134251 3290.002       130.1687 3297.003       184.7408 3283.100       183.4389 258.9231 7.296576 258.3824 7.260276 0.5407715      10.29328 
1 1 1 -14 6  9  o 135.2336 3.313953 895.8286       43.86693 897.0456       62.18467 894.6232       61.89078 135.1840 4.706682 135.0025 4.690707 0.1815338      6.644967 
1 1 1 -14 6  10 f 253.3656 5.040446 3148.374       125.0037 3101.259       175.2535 3197.169       178.3510 251.0972 7.137720 254.9505 7.153901 -3.853333      10.10571 
1 1 1 -14 6  11 o 156.2548 3.577392 1196.248       54.71498 1214.747       78.16722 1178.477       76.61350 157.2886 5.083842 154.9227 5.059025 2.365906       7.172111 
1 1 1 -14 6  12 o 23.79571 6.513640 28.69449       15.61150 37.41544       20.09712 15.42489       24.79024 27.14350 7.374173 21.68093 8.322624 5.462568       11.11955 
1 1 1 -14 6  13 o 165.7551 3.704536 1346.371       60.10448 1333.082       84.53297 1359.959       85.47602 164.7461 5.248791 166.3996 5.254488 -1.653534      7.426940 
1 1 1 -14 6  14 o 84.16845 3.154586 347.5427       25.94350 345.8902       35.90347 349.3482       37.52986 83.87443 4.388479 84.27782 4.566492 -0.4033966     6.333372 
1 1 1 -14 6  15 o 134.3325 3.352938 884.1951       44.08724 828.1813       60.31883 948.4393       64.59850 129.8447 4.753968 138.9640 4.756140 -9.119278      6.724662 
1 1 1 -14 6  16 o 80.90426 3.252592 321.2313       25.70520 301.1770       34.95785 344.8393       37.92892 78.22341 4.585754 83.71385 4.647019 -5.490440      6.528701 
1 1 1 -14 6  17 f 177.0966 5.515949 1541.791       95.50076 1541.791       95.50076 0.000000       0.000000 177.0966 5.515949 ?        ?        ?              ?        
1 1 1 -14 6  18 o 192.8339 5.939555 1829.269       111.9761 1719.000       153.9906 1953.000       163.1197 186.4296 8.460703 198.7512 8.403720 -12.32161      11.92502 
1 1 1 -14 6  19 o 47.16912 5.123156 110.5211       23.27437 94.26714       26.89453 159.0000       46.44735 43.29288 6.551193 56.08345 8.746206 -12.79057      10.92768 
1 1 1 -14 6  20 f 132.5846 3.432629 862.2170       44.51030 807.3105       60.71649 926.0048       65.44306 128.1479 4.849233 137.2543 4.878909 -9.106369      6.878867 
1 1 1 -14 6  21 o 54.17577 4.111757 144.7992       21.64130 140.5440       28.78880 150.3281       32.81596 53.18168 5.615056 54.93270 6.211931 -1.751022      8.373586 
1 1 1 -14 6  22 o 158.0397 4.251203 1226.501       65.70367 1369.000       116.1252 1159.403       79.68500 166.4783 7.142896 153.5068 5.311259 12.97153       8.901148 
1 1 1 -14 6  23 o 167.5484 4.365406 1378.986       71.53211 1505.000       125.5894 1318.475       87.02820 174.4577 7.371169 163.6607 5.440180 10.79695       9.161315 
1 1 1 -14 6  24 o 124.1889 3.335365 756.7664       40.50782 698.2117       55.73993 822.3039       58.96985 119.1175 4.790395 129.3027 4.666906 -10.18521      6.687892 
1 1 1 -14 6  25 o 111.5175 3.252679 610.3616       35.46712 581.4760       49.12763 641.8045       51.25624 108.6855 4.628534 114.1987 4.594803 -5.513222      6.521927 
1 1 1 -14 6  26 o 266.2110 5.311443 3488.525       138.4028 3342.408       190.4890 3651.911       201.4313 259.7280 7.500669 271.4575 7.588312 -11.72949      10.66970 
1 1 1 -14 6  27 o 87.79899 3.253951 378.7092       27.91609 350.5630       38.64243 409.4329       40.37305 84.29027 4.702249 91.13682 4.540054 -6.846550      6.536302 
1 1 1 -14 6  28 o 69.66962 3.426833 238.8623       23.29743 217.0031       32.01340 263.4731       33.96856 66.18818 4.977819 72.99826 4.780293 -6.810081      6.901440 
1 1 1 -14 6  29 o 45.51151 4.413616 102.9068       19.41519 89.23479       26.49833 118.7540       28.52836 41.92112 6.681849 48.61338 6.131471 -6.692253      9.068740 
1 1 1 -14 6  30 o 40.52692 5.107985 82.35893       19.81363 88.76445       27.65670 75.60473       28.39948 41.68862 7.027232 38.22837 7.852536 3.460251       10.53776 
1 1 1 -14 6  31 o 105.1288 3.965878 545.1037       40.73687 436.8000       70.82104 598.6563       49.80016 93.01303 7.852067 110.0266 4.634473 -17.01361      9.117746 
1 1 1 -14 6  32 o 50.90889 6.337029 131.0551       30.89636 0.000000       0.000000 131.0551       30.89636 ?        ?        50.90889 6.337029 ?              ?        
1 1 1 -14 6  33 o 49.78234 5.045426 124.1019       24.24639 113.7810       28.27210 152.8000       47.14412 47.35352 6.252186 54.02458 9.247478 -6.671059      11.16269 
1 1 1 -14 6  34 o 111.7898 3.337955 616.1919       36.48396 607.0215       50.85409 625.9178       52.37160 110.5482 4.710472 112.2350 4.778111 -1.686714      6.709612 
1 1 1 -14 6  35 o 26.73095 7.692418 37.26439       21.20840 38.89194       26.09867 34.10000       36.39121 27.53922 8.673524 27.73475 10.20111 -0.1955299     13.39002 
1 1 1 -14 6  36 o 50.34686 5.079206 127.5955       24.68894 125.5803       30.82736 131.2000       41.22875 49.50777 6.519771 49.77301 8.783512 -0.2652321     10.93881 
1 1 1 -14 6  37 o 54.43866 4.420996 148.2254       23.35516 146.9986       32.50497 149.5347       33.57961 53.62416 6.313599 54.03095 6.478332 -0.4067917     9.046011 
1 1 1 -14 6  38 f 15.65428 6.882142 -3.981069      20.36896 -25.32936      27.24223 23.08518       30.67433 15.33375 7.191102 24.15757 9.261732 -8.823823      11.72568 
1 1 1 -14 6  39 o 68.95187 4.717124 238.4815       31.64504 238.5927       37.37553 238.2000       59.47136 68.62495 5.613154 66.63226 9.377440 1.992691       10.92904 
1 1 1 -14 6  40 o 19.82800 7.722415 13.96348       21.57298 30.00238       30.23063 -2.679662      30.79481 25.45435 9.308241 19.43372 8.505211 6.020626       12.60880 
1 1 1 -14 6  41 o 48.59375 5.623481 121.0310       26.25495 141.9000       40.80152 106.2834       34.29943 51.35340 8.407792 44.40841 8.192443 6.944992       11.73913 
1 1 1 -14 6  42 o 61.22234 4.920073 190.1124       29.23603 208.0000       45.57056 177.6000       38.11356 62.61008 7.590755 58.23986 6.814478 4.370220       10.20082 
1 1 1 -14 6  43 o 15.29765 6.925350 -9.365761      22.27265 -49.26350      30.53889 35.97147       32.55418 14.07683 6.859538 26.64100 9.671835 -12.56417      11.85739 
1 1 1 -14 6  44 o 25.24080 8.231405 34.29490       23.35670 49.03161       32.59957 18.75071       33.48079 29.51684 9.730237 23.16674 9.419992 6.350101       13.54303 
1 1 1 -14 6  45 o 22.64854 8.157009 25.38599       23.09703 40.04815       32.74244 10.86326       32.58638 27.27692 9.725192 21.51730 9.067188 5.759628       13.29636 
1 1 1 -14 6  46 o 51.03777 5.238452 134.7900       25.79879 117.1922       36.81764 151.7659       36.16122 45.58743 8.565366 53.01583 7.150511 -7.428402      11.15775 
1 1 1 -14 6  47 o 23.02423 8.201448 27.16315       23.28091 -4.757574      34.17068 54.81675       31.80484 19.47783 8.717748 30.60664 9.565690 -11.12881      12.94224 
1 1 1 -14 6  48 o 29.19340 8.091726 48.64088       23.92316 36.65544       34.39154 59.87744       33.29977 26.31993 9.871677 31.65302 9.771054 -5.333097      13.88969 
1 1 1 -14 6  49 o 21.46915 8.054662 22.01939       22.89976 30.87477       33.08326 13.87392       31.72946 24.88436 9.598265 21.49138 8.994731 3.392986       13.15416 
1 1 1 -14 6  50 o 23.62628 8.564711 29.63609       25.51532 16.46916       34.04026 46.52000       38.54668 22.24417 9.313618 28.25559 10.47986 -6.011417      14.02037 
1 1 1 -14 6  51 o 30.96328 8.584491 56.85403       26.92179 105.8000       53.07000 39.89357       31.23988 38.92304 12.38209 26.37757 9.488251 12.54547       15.59945 
1 1 1 -14 6  52 o 28.39853 10.23280 48.80062       36.35334 73.81000       51.47786 23.92000       51.34518 32.95737 12.13092 25.62295 11.10075 7.334429       16.44341 
1 1 1 -14 6  53 o 35.88299 7.210252 72.76888       24.44508 75.41226       36.29502 70.57430       33.07063 34.42606 10.10889 33.68314 9.577879 0.7429237      13.92571 
1 1 1 -14 6  54 f 25.60137 9.426056 37.41096       31.08458 77.40000       48.79067 10.09000       40.32870 33.47522 11.87822 22.14045 9.710296 11.33476       15.34216 
1 1 1 -14 6  55 o 41.65666 7.055869 97.17619       27.74418 108.3482       36.47064 81.83000       42.74432 42.37281 9.067229 34.91320 11.11310 7.459602       14.34279 
1 1 1 -14 6  56 o 24.41763 8.318187 34.34082       23.80415 27.64835       35.07447 40.05558       32.41132 23.87219 9.665459 26.10515 9.622762 -2.232960      13.63886 
1 1 1 -14 6  57 o 20.02654 8.060762 16.69379       24.23618 13.19536       36.15617 19.54839       32.66012 21.62319 9.341526 22.04148 9.167640 -0.4182949     13.08853 
1 1 1 -14 6  58 o 21.30131 8.223389 22.84046       24.29953 24.16642       35.93895 21.72380       32.98075 23.09685 9.612543 22.29434 9.237408 0.8025112      13.33157 
1 1 1 -14 6  59 o 22.45162 8.312920 28.25040       24.23515 -4.394707      35.56657 56.54549       33.11223 18.89537 8.630647 29.26784 9.811107 -10.37247      13.06698 
1 1 1 -14 7  1  o 138.8940 4.612304 946.5894       62.61884 0.000000       0.000000 946.5894       62.61884 ?        ?        138.8940 4.612304 ?              ?        
1 1 1 -14 7  2  o 82.66533 3.225759 335.1953       26.05116 273.0000       41.73803 374.8885       33.34346 74.37743 5.778334 87.38744 3.908009 -13.01002      6.975792 
1 1 1 -14 7  3  o 193.3714 4.060768 1832.174       76.86109 1776.705       107.3628 1890.490       110.0843 190.2217 5.772849 196.2276 5.737542 -6.005829      8.139114 
1 1 1 -14 7  4  o 113.1431 4.540938 628.4515       50.18763 655.2000       74.56740 606.3000       67.85812 115.3329 6.633236 110.9700 6.272807 4.362839       9.129508 
1 1 1 -14 7  5  o 181.5178 3.892927 1614.355       69.16744 1549.031       96.06526 1684.673       99.66933 177.6210 5.532172 185.2448 5.502892 -7.623825      7.802995 
1 1 1 -14 7  6  o 167.8816 3.707931 1380.813       60.93139 1341.572       85.46308 1421.380       86.89476 165.3060 5.288629 170.1631 5.223197 -4.857193      7.433127 
1 1 1 -14 7  7  o 101.1395 3.054493 501.4525       30.20426 480.6186       42.85302 522.0208       42.57884 98.92219 4.436988 103.1192 4.227368 -4.196968      6.128417 
1 1 1 -14 7  8  o 99.32248 3.405785 483.8255       33.06192 492.4000       54.26229 478.7627       41.69529 100.0255 5.564112 98.73670 4.324709 1.288834       7.047159 
1 1 1 -14 7  9  o 65.27512 3.264425 209.2385       20.79123 227.4533       29.31587 190.8050       29.49139 67.97278 4.430315 62.18650 4.884159 5.786274       6.594141 
1 1 1 -14 7  10 f 136.7892 3.350829 916.6467       44.86525 910.1018       63.47202 923.1822       63.42610 136.1490 4.770161 137.1285 4.732442 -0.9794922     6.719408 
1 1 1 -14 7  11 o 203.4448 4.246273 2028.954       84.55918 2033.822       120.0609 2024.163       119.1142 203.4323 6.036094 202.9529 6.002599 0.4794159      8.512674 
1 1 1 -14 7  12 o 109.8025 3.164180 591.1053       33.97241 585.6870       48.03773 596.5266       48.05077 109.1988 4.503929 110.2099 4.463476 -1.011047      6.340977 
1 1 1 -14 7  13 o 161.1718 3.658211 1272.988       57.71172 1239.591       80.65291 1308.029       82.61588 158.8537 5.193985 163.1862 5.178739 -4.332520      7.334631 
1 1 1 -14 7  14 o 72.65269 3.227823 259.1207       22.89718 256.3430       31.02858 262.4419       33.92837 72.16540 4.413763 72.98698 4.775327 -0.8215866     6.502696 
1 1 1 -14 7  15 o 115.4186 3.225819 653.2125       36.40792 636.5008       50.41816 671.4228       52.63018 113.8249 4.534335 116.9033 4.608435 -3.078491      6.465127 
1 1 1 -14 7  16 o 231.2001 6.675284 2631.506       150.9069 2631.506       150.9069 0.000000       0.000000 231.2001 6.675284 ?        ?        ?              ?        
1 1 1 -14 7  17 o 18.60410 8.221236 -9.280443      29.42048 5.410000       44.65279 -20.55000      39.10971 25.42629 10.65796 20.41979 9.216934 5.006504       14.09056 
1 1 1 -14 7  18 f 71.95280 3.888654 254.5876       27.28578 254.6965       32.03945 254.3000       52.05801 71.90265 4.576077 71.44283 7.558781 0.4598236      8.836043 
1 1 1 -14 7  19 o 152.2899 4.119112 1138.356       61.34541 1211.000       105.2380 1100.968       75.49936 156.6789 6.878846 149.6418 5.162202 7.037079       8.600399 
1 1 1 -14 7  20 o 107.7923 3.698955 570.3620       38.96986 619.4000       64.00604 541.4760       49.12447 112.0923 5.853917 104.9151 4.796273 7.177185       7.567864 
1 1 1 -14 7  21 o 210.8878 5.070601 2184.538       104.6688 2207.000       179.2566 2172.918       128.9307 211.0535 8.695761 210.0308 6.278484 1.022675       10.72547 
1 1 1 -14 7  22 o 34.31137 5.973645 59.58482       19.33396 65.50000       25.07237 50.90775       30.36671 35.78632 7.402098 31.73005 9.226826 4.056274       11.82901 
1 1 1 -14 7  23 o 239.9768 4.877734 2829.417       114.5760 2732.615       158.2161 2936.165       166.1443 235.2891 6.877155 243.8750 6.967184 -8.585861      9.789633 
1 1 1 -14 7  24 o 104.8739 3.199502 539.7544       32.80558 473.7327       44.25371 620.2964       48.87848 98.09261 4.622004 112.2961 4.455636 -14.20351      6.419938 
1 1 1 -14 7  25 o 252.8031 5.087933 3143.597       125.9012 2924.578       170.1030 3408.938       187.2291 243.1397 7.155211 262.4636 7.294903 -19.32387      10.21825 
1 1 1 -14 7  26 o 51.83792 3.982532 132.7339       20.05275 120.5993       26.99879 147.6641       29.94764 49.14279 5.719543 54.44631 5.703935 -5.303516      8.077626 
1 1 1 -14 7  27 o 121.0221 3.268901 719.1968       38.68786 701.2684       53.84880 738.3239       55.61998 119.3052 4.619895 122.4159 4.650259 -3.110741      6.555025 
1 1 1 -14 7  28 o 181.3663 3.975126 1617.001       70.56894 1577.326       98.27714 1659.233       101.3950 178.6460 5.627233 183.2195 5.660567 -4.573425      7.981715 
1 1 1 -14 7  29 o 79.38933 3.262658 310.0240       25.29959 293.4786       34.44693 329.4013       37.27866 77.04555 4.588476 81.62325 4.685641 -4.577705      6.558151 
1 1 1 -14 7  30 o 122.2080 3.341216 734.4878       39.93031 746.9478       56.35008 721.9211       56.59065 122.9533 4.690783 120.8476 4.793613 2.105751       6.706874 
1 1 1 -14 7  31 o 81.83231 3.359703 329.8600       26.85390 311.4767       36.88344 350.5979       39.17431 79.25237 4.776763 84.09824 4.778583 -4.845879      6.756650 
1 1 1 -14 7  32 o 54.73338 6.781868 151.9978       35.55684 207.4000       55.03387 112.3000       46.58542 63.25475 9.154400 45.82522 10.59718 17.42953       14.00369 
1 1 1 -14 7  33 o 146.1611 5.158844 1061.916       73.69008 0.000000       0.000000 1061.916       73.69008 ?        ?        146.1611 5.158844 ?              ?        
1 1 1 -14 7  34 o 113.2666 3.958292 634.7523       43.81754 619.0787       52.46398 670.9000       79.67445 111.5684 4.815459 115.0895 7.107241 -3.521111      8.584959 
1 1 1 -14 7  35 o 47.61834 4.566332 113.5543       21.02323 114.5618       28.63067 112.3755       30.96956 47.34638 6.336833 46.67554 6.993693 0.6708412      9.437542 
1 1 1 -14 7  36 o 71.66035 4.191814 255.4684       29.27431 244.3109       36.04185 277.1000       50.18434 69.72714 5.320979 73.58608 7.053588 -3.858940      8.835492 
1 1 1 -14 7  37 o 16.07104 7.093130 -5.026161      21.83610 -36.71941      26.46774 62.52000       38.63971 13.88700 6.673477 34.00614 10.53016 -20.11914      12.46674 
1 1 1 -14 7  38 o 23.83681 8.872851 24.41770       27.67817 24.41770       27.67817 0.000000       0.000000 23.83681 8.872851 ?        ?        ?              ?        
1 1 1 -14 7  39 o 46.19322 5.148862 108.2711       22.88538 111.7296       31.84343 104.5763       32.91266 46.15358 7.290495 44.38858 7.862813 1.764999       10.72265 
1 1 1 -14 7  40 o 62.34625 4.623434 195.3889       28.01428 196.3000       44.21952 194.7781       36.20724 61.19744 7.541339 61.66672 6.077340 -0.4692764     9.685342 
1 1 1 -14 7  41 o 17.01822 7.426913 -1.906793      23.33627 22.83000       36.14618 -19.58636      30.55811 24.86852 9.899947 17.01593 7.855335 7.852589       12.63785 
1 1 1 -14 7  42 o 33.37491 7.326780 60.27248       23.27784 84.20322       32.75924 35.86666       33.08282 38.90535 8.808057 26.81630 9.747927 12.08906       13.13788 
1 1 1 -14 7  43 o 29.75254 7.869874 48.93740       23.26838 44.47562       32.26258 53.77402       33.59050 28.51846 9.684425 30.81220 9.856346 -2.293743      13.81795 
1 1 1 -14 7  44 o 65.94843 4.376881 220.1578       28.09383 229.5133       40.18152 211.2107       39.29467 66.21297 6.274663 63.40313 6.420030 2.809841       8.977093 
1 1 1 -14 7  45 o 32.53424 7.879519 59.24714       24.82353 70.59399       35.05299 47.83169       35.15880 34.58422 9.869547 29.12078 10.10225 5.463436       14.12315 
1 1 1 -14 7  46 o 12.60993 6.081295 -30.78286      22.44101 -15.50923      32.49150 -44.71476      31.03157 17.72290 8.152166 14.45438 7.013934 3.268524       10.75421 
1 1 1 -14 7  47 o 49.47255 5.322665 127.2899       25.37005 153.7393       36.80003 103.3330       35.02323 53.15770 7.262235 42.50387 8.711185 10.65382       11.34129 
1 1 1 -14 7  48 o 23.09337 8.203336 27.81112       23.27667 2.540935       33.53893 51.29337       32.33068 20.19771 8.856830 29.52648 9.687848 -9.328764      13.12623 
1 1 1 -14 7  49 o 14.49735 6.693889 -13.09953      22.20477 12.61154       32.30007 -36.13826      30.57544 21.38441 9.020102 14.90868 7.166571 6.475725       11.52050 
1 1 1 -14 7  50 o 31.98457 8.566378 60.36382       27.35480 64.62000       52.48651 58.77660       32.05209 31.70540 12.12521 31.05544 9.586198 0.6499634      15.45691 
1 1 1 -14 7  51 o 36.09608 8.539864 76.96841       29.69847 75.37503       36.03920 80.34000       52.42423 34.60832 10.04823 34.10438 12.28827 0.5039368      15.87352 
1 1 1 -14 7  52 o 22.48957 8.204756 26.56614       23.46742 9.173897       35.82260 39.64156       31.06040 21.29843 9.249417 26.24354 9.458278 -4.945107      13.22916 
1 1 1 -14 7  53 o 24.22075 9.305613 30.90791       31.01044 0.000000       0.000000 30.90791       31.01044 ?        ?        24.22075 9.305613 ?              ?        
1 1 1 -14 7  54 o 34.93651 7.305819 69.45818       24.17873 108.5153       36.27185 38.22409       32.43649 42.48247 9.002844 25.84444 9.608166 16.63803       13.16693 
1 1 1 -14 7  55 o 18.96058 8.039391 8.962694       25.87916 40.08528       34.29261 -32.21000      39.44276 26.29830 9.858739 17.49217 8.335335 8.806126       12.91017 
1 1 1 -14 7  56 o 18.64781 8.011258 6.969079       26.30693 -5.814964      34.96336 23.65000       39.93825 18.93634 8.613694 23.80874 10.03570 -4.872402      13.22539 
1 1 1 -14 7  57 o 27.08451 8.461782 44.23513       24.89007 23.17988       37.13631 61.40763       33.53785 23.23268 9.727757 30.87736 9.845548 -7.644688      13.84067 
1 1 1 -14 7  58 o 28.20739 8.330398 48.55410       24.58835 84.61726       37.52288 21.41462       32.55106 35.62503 10.22570 22.12638 9.173252 13.49865       13.73730 
1 1 1 -14 7  59 o 20.09871 8.034475 18.44824       23.90612 32.70692       35.83130 7.009301       32.09342 24.30328 9.794446 19.63502 8.635215 4.668259       13.05749 
1 1 1 -14 8  1  o 207.8136 4.283382 2116.530       87.12988 2131.604       124.8767 2102.231       121.6280 208.3122 6.131027 206.8853 6.012550 1.426865       8.587214 
1 1 1 -14 8  2  f 74.72537 2.950347 273.8883       21.53738 234.2854       30.79066 311.8272       30.13679 68.98211 4.586164 79.68213 3.875558 -10.70002      6.004403 
1 1 1 -14 8  3  o 250.7210 7.103722 3090.846       174.1586 3397.000       262.7695 2851.000       232.5794 262.2064 10.25804 240.2552 9.911190 21.95119       14.26390 
1 1 1 -14 8  4  o 147.2700 3.415757 1062.427       49.23879 1050.019       70.00608 1074.573       69.26812 146.2561 4.896981 147.9677 4.788867 -1.711578      6.849355 
1 1 1 -14 8  5  o 93.46717 2.966408 428.2859       27.10479 439.7485       39.34148 417.9288       37.39637 94.62691 4.258375 92.25265 4.152015 2.374268       5.947519 
1 1 1 -14 8  6  o 130.5594 3.237733 834.9554       41.37666 795.5876       57.89943 876.0443       59.15152 127.3019 4.654414 133.6024 4.529747 -6.300545      6.494781 
1 1 1 -14 8  7  o 115.6827 3.500281 656.2264       39.58929 683.3000       67.25387 641.8705       48.97334 117.8471 5.848591 114.3457 4.383678 3.501350       7.309080 
1 1 1 -14 8  8  o 112.1370 3.121862 616.4138       34.23307 591.4798       48.42048 641.3320       48.40528 109.7455 4.517160 114.2992 4.334418 -4.553741      6.260345 
1 1 1 -14 8  9  o 115.0649 3.159642 649.0381       35.55296 662.8030       51.06002 636.0838       49.53366 116.1834 4.498338 113.8176 4.454762 2.365822       6.330873 
1 1 1 -14 8  10 o 189.3374 4.034989 1757.084       74.77994 1786.679       107.2190 1729.053       104.3490 190.6939 5.750758 187.5985 5.689250 3.095398       8.089425 
1 1 1 -14 8  11 o 138.0875 3.822761 935.2177       51.62018 1064.000       91.88496 875.8292       62.39755 147.0252 6.400121 133.5454 4.781167 13.47980       7.988811 
1 1 1 -14 8  12 o 92.81063 3.089139 422.4353       28.02437 441.8529       39.77170 403.2873       39.49463 94.83376 4.295701 90.57681 4.468456 4.256950       6.198398 
1 1 1 -14 8  13 o 149.3498 3.519720 1093.063       51.45397 1099.665       73.05003 1086.562       72.48705 149.6198 4.994986 148.7257 4.986348 0.8941345      7.057871 
1 1 1 -14 8  14 o 126.2715 3.806952 782.2765       46.99944 762.5748       56.72869 825.4000       83.92812 124.5926 4.659833 129.3880 6.649151 -4.795448      8.119437 
1 1 1 -14 8  15 o 116.9650 4.853495 672.4914       55.44625 657.5000       80.53593 686.0000       76.44925 115.3530 7.168133 117.9126 6.650756 -2.559624      9.778276 
1 1 1 -14 8  16 o 217.8311 5.204231 2329.688       110.9642 2227.349       132.4196 2571.000       203.3389 212.7315 6.366537 227.9058 9.133545 -15.17436      11.13348 
1 1 1 -14 8  17 o 130.2063 3.868252 831.9816       49.24601 777.6513       58.26299 967.9000       92.15334 125.7923 4.740347 140.0822 6.740594 -14.28994      8.240541 
1 1 1 -14 8  18 o 13.40395 5.959863 -6.002963      15.69815 -3.173828      19.22922 -11.65595      27.18154 15.60533 6.776856 17.42154 7.787920 -1.816214      10.32364 
1 1 1 -14 8  19 o 126.2559 3.368680 781.8753       41.59386 709.6094       56.17509 869.5748       61.88360 120.1363 4.786671 133.0120 4.760796 -12.87569      6.751103 
1 1 1 -14 8  20 o 136.4996 3.897599 914.5558       52.02235 890.7000       84.37903 929.1840       66.07438 134.3660 6.434321 137.4696 4.918365 -3.103531      8.098815 
1 1 1 -14 8  21 o 124.2530 3.783493 757.9040       45.96209 732.9000       73.18338 774.1903       59.06349 121.8768 6.154505 125.4643 4.818375 -3.587532      7.816308 
1 1 1 -14 8  22 o 67.26403 3.489476 222.4581       22.89612 228.8228       30.50287 214.2439       34.65267 68.10794 4.602510 65.78741 5.429603 2.320526       7.117843 
1 1 1 -14 8  23 o 91.38503 3.164746 409.9012       28.26599 364.1213       38.23276 465.0880       41.97744 85.98458 4.558938 97.22283 4.422626 -11.23825      6.351656 
1 1 1 -14 8  24 o 88.32053 3.178981 382.9860       27.43765 340.9553       37.07300 433.8911       40.79953 83.17889 4.570999 93.87768 4.452728 -10.69878      6.381286 
1 1 1 -14 8  25 o 159.4631 3.679227 1247.976       57.42791 1159.066       78.21014 1351.996       84.59589 153.3754 5.217157 165.6612 5.223544 -12.28586      7.382692 
1 1 1 -14 8  26 o 153.3701 4.237547 1156.840       63.55432 1126.000       111.9880 1171.491       77.18839 150.4928 7.627250 154.1669 5.122217 -3.674179      9.187603 
1 1 1 -14 8  27 o 118.4478 3.263122 689.0720       37.79658 670.6898       52.51205 708.8326       54.44523 116.6508 4.608083 119.9198 4.647137 -3.268990      6.544487 
1 1 1 -14 8  28 o 136.1384 3.424913 910.8117       45.60278 913.3778       64.18384 908.1957       64.80479 136.0547 4.827193 135.6536 4.888552 0.4010773      6.870206 
1 1 1 -14 8  29 o 115.2539 3.259837 652.9919       36.73849 615.9623       50.36183 695.1120       53.71199 111.6860 4.616724 118.6524 4.633662 -6.966362      6.541022 
1 1 1 -14 8  30 o 55.00937 3.837692 149.6693       20.53434 128.1084       27.11452 178.6653       31.44398 50.55948 5.571141 59.83641 5.427643 -9.276932      7.777977 
1 1 1 -14 8  31 o 109.0232 3.252341 585.0051       34.66854 564.5114       47.70708 607.9384       50.46668 106.8010 4.574125 110.8162 4.663018 -4.015121      6.531949 
1 1 1 -14 8  32 o 79.24563 3.346031 309.6465       25.89602 306.9295       35.56155 312.7139       37.78445 78.62745 4.641265 79.30558 4.891270 -0.6781311     6.742838 
1 1 1 -14 8  33 o 53.35079 5.256981 142.8153       27.09632 77.73000       51.91243 167.1874       31.76707 38.26499 12.25434 57.64419 5.704829 -19.37920      13.51717 
1 1 1 -14 8  34 o 32.84712 7.963438 57.08692       25.33518 104.7000       52.11584 42.35274       28.99143 43.50893 11.89756 28.74020 9.152780 14.76873       15.01084 
1 1 1 -14 8  35 o 108.6835 5.214395 590.5947       55.31017 516.9000       79.44921 659.9000       77.04689 100.1204 8.178200 113.9857 6.938421 -13.86525      10.72495 
1 1 1 -14 8  36 o 30.91704 6.980878 50.35281       20.62420 38.95994       27.02870 66.23144       31.90912 27.52832 8.844950 35.00847 9.195139 -7.480146      12.75867 
1 1 1 -14 8  37 o 14.51166 6.857517 -27.28155      25.62730 -27.28155      25.62730 0.000000       0.000000 14.51166 6.857517 ?        ?        ?              ?        
1 1 1 -14 8  38 o 54.49436 5.071863 149.8757       26.74303 155.1577       32.90616 139.6000       45.89706 55.04745 6.215659 50.69222 9.601320 4.355232       11.43765 
1 1 1 -14 8  39 o 22.93643 8.648161 22.00133       26.47069 55.32000       35.13102 -21.76000      40.26171 31.93151 10.06393 19.86123 9.113285 12.07027       13.57699 
1 1 1 -14 8  40 o 33.63427 7.615295 60.81968       24.48602 61.79000       37.73587 60.11402       32.18070 33.40736 10.41623 33.01220 9.467990 0.3951530      14.07624 
1 1 1 -14 8  41 o 79.23557 3.872923 313.4988       29.94661 329.4265       42.84718 298.2883       41.87148 80.44337 5.474204 76.44254 5.635613 4.000832       7.856656 
1 1 1 -14 8  42 o 26.52120 8.044782 38.12024       22.69997 7.177899       31.41093 71.94637       32.84206 20.88671 8.856599 35.64785 9.311891 -14.76114      12.85110 
1 1 1 -14 8  43 o 41.00449 6.219551 88.72854       24.18062 80.14822       33.76936 97.75719       34.64039 37.41528 9.268990 41.71314 8.763158 -4.297863      12.75567 
1 1 1 -14 8  44 o 19.74739 7.892034 13.51779       23.06006 -7.584591      32.13640 35.91690       33.10906 18.70720 8.407097 26.44717 9.729758 -7.739964      12.85875 
1 1 1 -14 8  45 o 41.09451 6.473215 90.23545       25.17762 80.22254       35.21876 100.7018       36.00741 36.95955 9.637245 41.91304 9.042641 -4.953487      13.21536 
1 1 1 -14 8  46 o 64.01981 4.489174 208.7643       27.95282 226.4321       40.51282 192.7108       38.61776 65.39805 6.411089 60.10505 6.676537 5.292999       9.256252 
1 1 1 -14 8  47 o 22.69231 8.188482 26.12026       23.28901 -5.669703      33.22179 56.83800       32.65673 19.05373 8.556578 30.98653 9.694223 -11.93280      12.93031 
1 1 1 -14 8  48 o 17.49751 7.462171 4.513166       22.52080 12.27423       32.89592 -2.333113      30.89647 21.49467 9.086604 18.79671 8.359207 2.697962       12.34677 
1 1 1 -14 8  49 f 19.45692 8.181808 9.471499       26.44519 2.066000       51.71923 12.09308       30.77208 23.63346 10.63937 20.92509 8.814034 2.708370       13.81606 
1 1 1 -14 8  50 o 40.06856 7.821475 91.58515       29.57466 97.88761       35.60091 77.55000       53.12693 40.37365 9.212626 33.71936 12.33818 6.654289       15.39815 
1 1 1 -14 8  51 o 48.53161 5.435300 124.5846       25.37687 200.7053       38.60675 66.67454       33.67356 60.70683 6.603381 32.69556 9.771837 28.01126       11.79379 
1 1 1 -14 8  52 o 21.64251 8.382429 22.11997       25.30944 25.93000       46.29825 20.49612       30.22549 25.26198 10.73379 22.10720 8.964614 3.154783       13.98494 
1 1 1 -14 8  53 o 17.25669 7.426620 4.137186       22.68272 -41.68725      34.24428 39.95939       30.27719 15.38345 7.441681 26.18351 9.350090 -10.80006      11.95001 
1 1 1 -14 8  54 o 26.64995 8.811437 42.12977       26.72711 26.28000       49.16013 48.78053       31.84468 25.45009 10.94277 28.23617 9.620975 -2.786085      14.57077 
1 1 1 -14 8  55 o 34.19013 8.219925 69.21075       27.16870 2.878000       48.78365 99.03507       32.71113 22.64233 10.24991 40.91840 8.447210 -18.27608      13.28217 
1 1 1 -14 8  56 o 44.50667 6.793653 110.2486       28.65972 118.7294       37.96318 99.01000       43.70193 44.23586 9.072319 38.29556 11.04902 5.940304       14.29643 
1 1 1 -14 8  57 o 26.92745 8.931087 44.30795       27.45181 62.53210       37.08988 22.23000       40.82359 30.74948 10.38411 23.52394 10.03997 7.225546       14.44406 
1 1 1 -14 8  58 o 31.60040 7.980749 60.09970       24.68768 69.57554       36.82035 52.36061       33.27547 32.07018 10.32530 28.40598 9.829326 3.664202       14.25579 
1 1 1 -14 8  59 o 15.18194 6.973387 -8.753522      23.65701 -6.590467      35.38065 -10.50255      31.81486 18.53715 8.519456 17.26396 7.985876 1.273188       11.67713 
1 1 1 -14 9  1  o 227.5135 5.299303 2539.143       118.0136 2373.000       196.8926 2632.298       147.4315 219.2510 9.194894 231.4231 6.514930 -12.17212      11.26900 
1 1 1 -14 9  2  o 238.3956 4.780454 2786.679       111.5510 2827.416       160.0838 2748.228       155.5288 239.8025 6.826996 236.4337 6.727240 3.368820       9.584552 
1 1 1 -14 9  3  o 169.7012 3.716140 1411.050       61.72815 1409.525       88.23452 1412.512       86.38833 169.4244 5.327169 169.6163 5.209506 -0.1919098     7.451018 
1 1 1 -14 9  4  o 61.47428 3.569373 185.7731       21.38552 174.2351       27.41703 203.7000       34.17478 59.42141 4.753410 64.20087 5.490909 -4.779457      7.262575 
1 1 1 -14 9  5  o 155.7957 3.537482 1189.188       53.94559 1154.322       75.88968 1224.799       76.69791 153.3262 5.063563 157.9520 4.966981 -4.625763      7.092994 
1 1 1 -14 9  6  o 252.5115 5.027699 3127.434       124.2672 3139.705       177.0466 3115.519       174.4627 252.6216 7.167209 251.6601 7.089492 0.9615173      10.08116 
1 1 1 -14 9  7  o 163.6631 3.652419 1312.470       58.51100 1273.539       82.05845 1352.735       83.45328 161.0355 5.212762 165.9796 5.142886 -4.944061      7.322716 
1 1 1 -14 9  8  o 76.12257 3.074098 284.3024       22.85826 270.6771       32.37680 297.8433       32.27636 74.16633 4.480757 77.83170 4.252802 -3.665375      6.177662 
1 1 1 -14 9  9  o 71.71208 3.075270 252.3704       21.53631 249.5211       30.04256 255.3826       30.88898 71.20985 4.330606 72.03810 4.401626 -0.8282471     6.174824 
1 1 1 -14 9  10 o 165.3727 3.706056 1340.227       59.99042 1305.080       84.40143 1376.112       85.28397 162.9922 5.297293 167.3834 5.211686 -4.391220      7.431217 
1 1 1 -14 9  11 o 291.8564 5.700966 4182.489       162.8636 4088.840       227.2030 4281.466       233.5770 287.9890 8.067892 294.6897 8.105345 -6.700714      11.43624 
1 1 1 -14 9  12 o 181.9928 3.946586 1623.665       70.30430 1586.285       98.58900 1662.340       100.2832 179.6484 5.613479 183.9138 5.577119 -4.265320      7.912990 
1 1 1 -14 9  13 o 119.5985 3.784915 701.8406       44.25283 692.0370       53.73640 722.5000       78.00719 118.6835 4.634552 121.0355 6.609476 -2.352028      8.072437 
1 1 1 -14 9  14 o 109.8654 4.756763 593.3663       51.03266 600.6000       77.00055 587.7000       68.14946 110.2260 7.175811 109.1417 6.407374 1.084251       9.620120 
1 1 1 -14 9  15 o 90.07231 3.570025 398.2807       31.41287 372.6611       37.35037 460.2000       58.06610 87.05128 4.397670 96.55795 6.176055 -9.506668      7.581765 
1 1 1 -14 9  16 o 25.09731 6.317605 32.18352       15.50654 10.00526       18.71827 80.69859       27.68474 18.40122 7.185706 39.85233 7.368436 -21.45111      10.29214 
1 1 1 -14 9  17 o 25.13366 6.479202 32.25174       16.04120 32.21850       19.75878 32.31603       27.47425 25.36553 7.461417 26.47685 8.937266 -1.111326      11.64249 
1 1 1 -14 9  18 o 134.7026 3.419062 889.9684       45.04411 831.9470       61.45500 957.3259       66.21495 130.0906 4.834610 139.5594 4.854590 -9.468842      6.851314 
1 1 1 -14 9  19 f 128.4531 3.779192 809.8320       47.46540 795.0000       76.22318 819.2264       60.66270 126.9735 6.151228 129.0841 4.809532 -2.110634      7.808278 
1 1 1 -14 9  20 o 143.6430 3.978137 1012.935       55.87943 1001.000       91.63460 1020.000       70.50588 142.4119 6.591534 144.0143 5.009278 -1.602432      8.278961 
1 1 1 -14 9  21 o 99.29467 3.566472 484.1221       34.60709 504.0000       54.12682 470.3774       45.00863 101.0922 5.490625 97.75179 4.717903 3.340424       7.239170 
1 1 1 -14 9  22 o 113.9582 3.910120 637.9323       43.55100 634.6000       82.00538 639.2413       51.39823 113.1130 7.448125 113.9925 4.615990 -0.8794861     8.762529 
1 1 1 -14 9  23 o 100.5565 3.168033 496.2685       31.14326 428.7865       41.76933 580.7459       46.73412 93.31175 4.587205 108.6523 4.403414 -15.34055      6.358656 
1 1 1 -14 9  24 o 75.37447 3.217811 279.1277       23.68594 240.5991       31.30258 330.7372       36.22871 69.81771 4.606185 81.91463 4.536118 -12.09692      6.464774 
1 1 1 -14 9  25 o 175.9102 3.893512 1519.509       67.04075 1586.228       96.74707 1457.878       92.98470 179.3477 5.517632 171.9281 5.532536 7.419571       7.813656 
1 1 1 -14 9  26 o 157.3045 3.630887 1214.981       55.90620 1118.528       75.56560 1331.618       83.09649 150.6019 5.133609 164.3282 5.172562 -13.72624      7.287615 
1 1 1 -14 9  27 o 137.0848 3.408732 922.7421       45.73917 876.2801       62.85783 975.0283       66.68127 133.2843 4.826051 140.5969 4.852587 -7.312653      6.843856 
1 1 1 -14 9  28 o 125.4326 3.289420 773.1994       40.35162 711.1205       54.76721 846.9163       59.68044 120.0339 4.670247 131.0119 4.661305 -10.97800      6.598406 
1 1 1 -14 9  29 o 74.15518 3.257739 270.6987       23.58864 219.0696       31.04958 341.1696       36.27549 66.45189 4.806031 83.06709 4.478026 -16.61520      6.568915 
1 1 1 -14 9  30 o 126.4967 3.356454 787.4210       41.52237 794.3091       58.42213 780.3898       59.02551 126.7135 4.718538 125.5703 4.811172 1.143272       6.738842 
1 1 1 -14 9  31 o 47.47828 4.225153 112.1246       19.43068 88.70927       25.18739 146.5430       30.53716 41.72115 6.369212 53.97143 5.875123 -12.25028      8.665098 
1 1 1 -14 9  32 o 42.44989 5.161780 90.70669       21.00745 77.03000       29.23399 105.3099       30.20800 38.34599 8.045708 45.29601 7.041961 -6.950024      10.69218 
1 1 1 -14 9  33 o 119.5283 3.357468 704.5904       39.24265 687.8944       54.54975 722.4993       56.49639 117.6560 4.746406 120.5641 4.796938 -2.908150      6.748258 
1 1 1 -14 9  34 o 41.42256 6.684528 88.51654       26.18035 71.35000       51.89715 94.37646       30.32128 36.73160 12.28228 42.52118 7.562261 -5.789581      14.42367 
1 1 1 -14 9  35 o 46.79694 8.013155 114.9744       35.38587 111.0000       54.89489 117.8000       46.28566 44.42614 12.23562 46.41594 10.44122 -1.989799      16.08506 
1 1 1 -14 9  36 o 50.74537 10.39853 141.0000       49.91305 0.000000       0.000000 141.0000       49.91305 ?        ?        50.74537 10.39853 ?              ?        
1 1 1 -14 9  37 o 81.47643 3.582164 329.1492       28.49842 316.8416       38.79417 343.5767       42.00245 79.44415 5.014408 82.65527 5.218194 -3.211121      7.236977 
1 1 1 -14 9  38 o 28.30666 7.932173 42.77085       22.85362 36.97000       32.20984 48.65168       32.43109 27.42150 9.658334 30.25640 9.685395 -2.834902      13.67810 
1 1 1 -14 9  39 o 32.47652 8.513563 57.37978       27.38860 37.79000       35.95249 84.47000       42.27859 27.96910 10.16265 38.66123 10.77248 -10.69213      14.80966 
1 1 1 -14 9  40 o 29.62663 8.253078 47.69579       24.81866 81.16798       30.97587 -12.32000      41.47765 38.57811 8.438448 21.10144 9.511194 17.47667       12.71496 
1 1 1 -14 9  41 o 47.05501 5.312766 113.4641       24.04256 130.7371       33.80965 95.79377       34.19627 49.70123 7.155662 41.69657 8.661970 8.004654       11.23536 
1 1 1 -14 9  42 o 80.38597 3.798565 323.3876       29.80408 316.3377       42.13155 330.4494       42.16715 78.55431 5.514409 80.37425 5.391007 -1.819939      7.711787 
1 1 1 -14 9  43 o 14.00278 6.545376 -18.27517      22.26074 -27.20623      31.03494 -8.811004      31.94777 16.12545 7.597621 18.52729 8.349458 -2.401842      11.28881 
1 1 1 -14 9  44 o 16.84584 7.367587 -0.9784942     23.07306 -10.96946      32.43726 9.253806       32.82669 18.33046 8.321825 21.30683 9.045156 -2.976366      12.29096 
1 1 1 -14 9  45 o 14.47542 6.743526 -17.24792      23.30895 -33.30842      32.83344 -0.9297213     33.09580 16.01310 7.623334 19.77045 8.728900 -3.757349      11.58917 
1 1 1 -14 9  46 o 25.89810 8.285480 37.26254       23.73610 4.952815       34.32450 66.87263       32.85924 20.85429 9.055262 33.64459 9.540631 -12.79030      13.15376 
1 1 1 -14 9  47 f 25.24240 8.364473 35.32385       24.08055 35.14468       35.08034 35.48350       33.11467 26.06636 9.926379 25.94390 9.695693 0.1224632      13.87586 
1 1 1 -14 9  48 f 35.06853 8.373526 71.11100       28.34517 86.79000       55.16356 65.48614       33.04068 35.84378 12.63836 32.92859 9.638453 2.915192       15.89427 
1 1 1 -14 9  49 o 56.61411 5.780366 169.6188       31.58316 180.0359       38.16928 147.0000       56.24388 57.43522 6.929228 46.91154 12.15213 10.52369       13.98887 
1 1 1 -14 9  50 o 40.17266 6.403505 87.98395       24.33528 108.1080       36.17069 71.34193       32.89292 42.69368 8.942349 34.09131 9.502815 8.602367       13.04872 
1 1 1 -14 9  51 o 31.08129 8.468361 57.40067       26.45881 111.6000       48.55553 34.50980       31.55534 40.62697 11.62302 25.09443 9.446544 15.53254       14.97771 
1 1 1 -14 9  52 o 27.35125 8.100359 43.82087       23.22234 37.68845       35.19545 48.54902       30.90412 25.97454 9.930180 28.28298 9.478298 -2.308439      13.72758 
1 1 1 -14 9  53 o 22.97247 8.177010 28.87147       23.13835 23.47728       34.62524 33.22392       31.10261 23.20995 9.525330 24.67752 9.358590 -1.467566      13.35347 
1 1 1 -14 9  54 o 30.24638 7.909284 53.68119       23.67702 36.44024       35.17294 67.96770       32.01776 25.61422 9.892241 33.04307 9.433494 -7.428852      13.66921 
1 1 1 -14 9  55 o 30.11949 8.681823 55.11163       26.99401 100.6000       50.49074 36.90575       31.94238 37.43675 12.09444 25.38985 9.515589 12.04691       15.38902 
1 1 1 -14 9  56 o 21.96264 8.628840 23.29676       27.12998 22.60000       50.03091 23.58698       32.28961 24.87186 10.86404 22.74450 9.249937 2.127361       14.26845 
1 1 1 -14 9  57 o 33.14120 7.825939 64.98786       24.97828 66.44965       37.58564 63.83159       33.42800 31.50691 10.45034 31.36324 9.807430 0.1436691      14.33162 
1 1 1 -14 9  58 o 24.00609 8.825451 33.79781       27.23271 18.56481       36.06308 54.01000       41.54098 22.04104 9.422544 28.35402 10.80081 -6.312979      14.33324 
1 1 1 -14 10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 10 2  f 156.3853 3.533105 1198.239       54.08274 1156.387       76.59291 1239.855       76.37665 153.4543 5.106327 158.9210 4.915815 -5.466766      7.088005 
1 1 1 -14 10 3  f 165.4460 3.670259 1341.235       59.43730 1289.210       83.51378 1394.636       84.61102 162.0180 5.273119 168.5340 5.134996 -6.515991      7.360297 
1 1 1 -14 10 4  o 249.3003 4.966228 3048.430       121.1869 3061.607       172.6469 3035.632       170.1486 249.4573 7.077756 248.4094 7.004676 1.047928       9.957917 
1 1 1 -14 10 5  o 27.96114 5.382185 39.65770       14.19603 7.972497       20.43873 69.19059       19.73235 18.51865 7.420125 37.13528 5.602753 -18.61663      9.297800 
1 1 1 -14 10 6  o 199.8909 4.184550 1958.675       81.87437 1959.809       116.7581 1957.578       114.8414 199.6926 5.980099 199.5920 5.884691 0.1006470      8.389945 
1 1 1 -14 10 7  o 151.0317 3.972262 1118.804       58.67255 1134.000       100.9233 1111.047       72.11049 151.7377 6.812407 150.4212 4.904151 1.316406       8.394021 
1 1 1 -14 10 8  o 279.8895 5.494142 3845.149       150.5195 3802.717       212.0988 3888.201       213.6429 277.8222 7.807211 280.9372 7.776622 -3.114990      11.01945 
1 1 1 -14 10 9  o 160.2978 3.626332 1259.221       56.89855 1223.825       80.11491 1295.245       80.82317 157.8353 5.192715 162.3919 5.090989 -4.556595      7.272032 
1 1 1 -14 10 10 o 129.8954 3.271953 827.2233       41.56821 818.2148       58.90080 836.1620       58.67252 129.0687 4.669933 130.4851 4.600953 -1.416412      6.555688 
1 1 1 -14 10 11 o 21.24312 6.516747 22.17914       14.84049 44.71434       18.88216 -14.23550      24.00263 29.57422 6.680938 15.79562 7.166101 13.77860       9.797344 
1 1 1 -14 10 12 o 177.2477 5.465621 1544.121       94.71246 1629.000       135.0639 1462.000       132.8508 181.7024 7.610887 172.0632 7.909212 9.639191       10.97639 
1 1 1 -14 10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 10 14 o 83.94354 3.520710 345.9803       28.86413 328.7542       34.61417 385.3000       52.29552 81.75300 4.341139 88.32677 6.085957 -6.573769      7.475585 
1 1 1 -14 10 15 o 212.1083 4.414716 2207.149       91.65720 2160.262       128.1727 2256.219       131.1234 209.4986 6.257420 214.1037 6.263494 -4.605133      8.853624 
1 1 1 -14 10 16 o 137.3438 3.866616 925.6849       51.92947 970.6000       87.15151 900.9598       64.66178 140.3222 6.361701 135.3862 4.887426 4.936035       8.022355 
1 1 1 -14 10 17 o 141.0100 3.914123 975.8569       53.97224 994.0000       89.52503 965.4974       67.64819 141.9783 6.458852 140.1434 4.939205 1.834915       8.130960 
1 1 1 -14 10 18 o 172.0414 4.381690 1453.348       73.72710 1412.000       121.6908 1477.327       92.67155 169.0661 7.371234 173.2977 5.470056 -4.231628      9.179139 
1 1 1 -14 10 19 o 107.1494 3.619279 563.6064       37.90481 595.9000       60.47654 542.7122       48.64547 109.9471 5.638320 105.0263 4.744178 4.920815       7.368710 
1 1 1 -14 10 20 o 20.71523 6.503341 20.89325       14.68382 20.73787       17.31365 21.29136       27.71448 21.16424 7.094437 23.77539 8.873031 -2.611151      11.36053 
1 1 1 -14 10 21 o 85.49478 3.228314 358.8535       26.96750 357.3095       36.44471 360.7220       40.09116 85.19770 4.384943 85.55517 4.806690 -0.3574677     6.506304 
1 1 1 -14 10 22 o 75.80492 3.228718 282.2633       23.90220 247.5559       31.88942 326.7607       36.10790 70.83797 4.624396 81.43572 4.547888 -10.59775      6.486010 
1 1 1 -14 10 23 o 53.33503 3.754800 140.2877       19.47697 141.3834       25.74096 138.8201       29.78964 53.39025 4.983124 52.76346 5.867107 0.6267967      7.697692 
1 1 1 -14 10 24 o 130.3495 3.979040 835.1414       50.70898 828.0000       91.46088 838.3109       60.93160 129.1472 7.264375 130.4734 4.779131 -1.326141      8.695472 
1 1 1 -14 10 25 o 125.3728 3.947025 772.8854       48.37690 776.5000       87.96160 771.3180       57.92396 124.9863 7.220667 125.1169 4.738290 -0.1306152     8.636518 
1 1 1 -14 10 26 o 266.9802 6.198266 3524.744       161.9778 3247.000       268.5729 3683.523       203.0659 253.3554 10.85510 272.1042 7.631758 -18.74886      13.26940 
1 1 1 -14 10 27 o 69.18737 3.231970 235.5324       21.82723 231.8069       29.53098 240.0184       32.40562 68.47604 4.429651 69.62618 4.783977 -1.150139      6.519834 
1 1 1 -14 10 28 o 132.4237 3.881190 863.4916       50.25370 800.3293       59.42869 1022.000       94.14407 127.2829 4.778502 143.2234 6.734273 -15.94047      8.257391 
1 1 1 -14 10 29 o 88.85977 4.474373 390.5126       38.79215 390.5126       38.79215 0.000000       0.000000 88.85977 4.474373 ?        ?        ?              ?        
1 1 1 -14 10 30 o 88.58968 3.196735 386.3807       27.67473 364.4264       37.68990 412.0661       40.76690 85.78081 4.504570 91.21172 4.580820 -5.430916      6.424567 
1 1 1 -14 10 31 o 52.04986 3.882622 134.3445       19.63862 113.3124       25.72389 163.7296       30.40598 47.41010 5.654514 57.14366 5.504080 -9.733559      7.891035 
1 1 1 -14 10 32 o 32.32884 5.882949 53.69828       17.93062 51.67170       22.84870 56.94706       28.92938 31.37819 7.534474 32.81254 8.818914 -1.434347      11.59921 
1 1 1 -14 10 33 o 36.96705 5.080217 69.21684       17.89681 68.73926       23.05033 69.94172       28.39807 36.40998 6.715044 36.34443 8.180584 0.6555176E-01  10.58366 
1 1 1 -14 10 34 o 50.60623 4.811032 128.4908       23.54502 137.2407       27.63210 105.3000       44.98509 52.12600 5.498426 43.85670 10.59817 8.269306       11.93960 
1 1 1 -14 10 35 o 50.65185 7.502969 133.4639       36.07595 128.8000       55.38929 136.9000       47.54303 47.87202 11.87759 50.23721 10.01996 -2.365189      15.53952 
1 1 1 -14 10 36 o 24.82544 8.737298 29.27898       26.35590 42.14000       53.35870 25.12863       30.31166 31.38370 12.16681 24.54882 9.254738 6.834875       15.28664 
1 1 1 -14 10 37 o 28.78391 9.459463 43.02643       30.81926 0.000000       0.000000 43.02643       30.81926 ?        ?        28.78391 9.459463 ?              ?        
1 1 1 -14 10 38 o 16.08013 7.061762 -3.618071      21.39349 -26.15000      28.96008 23.44835       31.74066 15.81909 7.417324 24.33525 9.397492 -8.516159      11.97203 
1 1 1 -14 10 39 o 25.78250 7.754494 35.15521       21.15517 28.38548       28.26886 43.77250       31.89393 24.72064 9.007152 28.86840 9.628067 -4.147757      13.18440 
1 1 1 -14 10 40 o 30.94070 7.987144 52.20840       24.35415 81.60118       29.42063 -11.78000      43.40924 38.78626 8.014594 21.58529 9.729637 17.20097       12.60554 
1 1 1 -14 10 41 o 33.93472 7.652101 62.79375       24.80894 57.19972       30.67117 73.38000       42.19283 31.91951 9.270363 35.50086 11.00545 -3.581347      14.38956 
1 1 1 -14 10 42 o 29.17095 8.322902 47.37112       24.93026 48.92385       30.70962 44.37000       42.69416 29.54159 9.421452 29.24790 10.99277 0.2936897      14.47773 
1 1 1 -14 10 43 o 52.98120 4.939467 143.8066       25.32066 155.1992       35.60196 132.1453       36.01932 53.96494 6.897395 49.24391 7.726749 4.721027       10.35745 
1 1 1 -14 10 44 o 36.55359 6.887926 72.49945       23.74099 66.36966       33.07323 79.01574       34.09998 33.65463 9.581063 36.79833 9.426191 -3.143700      13.44061 
1 1 1 -14 10 45 f 38.77541 6.678145 81.20304       24.43200 64.50384       35.21261 96.70544       33.92735 32.89555 10.02801 41.16024 8.694006 -8.264687      13.27203 
1 1 1 -14 10 46 o 20.36173 8.038195 16.33663       23.64259 14.55903       35.11252 17.81104       31.97819 22.45566 9.434347 22.39213 9.167810 0.6352615E-01  13.15506 
1 1 1 -14 10 47 o 27.93891 9.020827 44.98692       28.09136 44.55000       54.69495 45.14347       32.73940 29.35735 12.00119 28.04155 9.747305 1.315804       15.46087 
1 1 1 -14 10 48 o 31.39530 9.225426 58.69149       30.21921 37.93696       35.75367 110.6000       56.54361 26.53346 10.04046 40.04691 12.78552 -13.51344      16.25670 
1 1 1 -14 10 49 o 26.79340 8.163740 41.45276       23.34095 50.31388       34.63803 34.08240       31.59026 28.90601 10.02719 25.17914 9.457464 3.726877       13.78362 
1 1 1 -14 10 50 o 28.79493 8.555202 49.12925       25.87028 66.46000       46.85755 41.53013       31.02790 31.82559 11.59632 26.69176 9.472263 5.133829       14.97326 
1 1 1 -14 10 51 o 31.40353 7.775542 57.12767       23.77334 66.28339       36.22385 50.20052       31.50835 32.30890 10.22399 28.72249 9.569460 3.586411       14.00373 
1 1 1 -14 10 52 o 55.60902 4.802544 160.9962       25.88511 187.7020       39.00710 139.9820       34.60172 58.23280 6.982436 49.96302 7.289950 8.269783       10.09444 
1 1 1 -14 10 53 o 28.87353 8.061209 49.17511       23.64970 120.8941       36.14264 -4.524984      31.27450 45.37152 8.449054 18.26114 8.242393 27.11039       11.80354 
1 1 1 -14 10 54 o 26.52192 8.173914 41.39105       23.31460 60.72808       34.77012 25.59424       31.42649 30.88967 10.04106 23.10945 9.220653 7.780220       13.63243 
1 1 1 -14 10 55 o 31.07596 7.873707 56.89528       23.97492 100.4110       35.98144 22.14900       32.15212 40.33879 9.302703 22.46645 9.194835 17.87234       13.07996 
1 1 1 -14 10 56 o 25.26235 8.465032 37.70422       24.64984 12.77249       37.15181 57.31082       32.94616 21.70396 9.422537 29.95603 9.776682 -8.252068      13.57821 
1 1 1 -14 10 57 o 22.55922 8.706206 26.94125       27.23034 -67.62000      50.70981 65.25631       32.27901 17.41273 8.558462 31.78121 9.583111 -14.36848      12.84847 
1 1 1 -14 10 58 o 25.25587 9.882954 38.36312       35.46842 39.35000       48.92596 37.27000       51.49220 26.11399 11.06240 25.99886 11.18927 0.1151218      15.73456 
1 1 1 -14 11 1  o 297.1474 6.683773 4339.422       194.4016 4041.000       322.3778 4509.951       243.6957 285.3407 11.56635 302.4932 8.238167 -17.15253      14.20027 
1 1 1 -14 11 2  o 75.91238 3.420352 282.9147       25.34970 349.8000       55.56673 265.3359       28.48678 84.08752 6.809349 73.46935 3.976053 10.61817       7.885191 
1 1 1 -14 11 3  o 156.2093 4.105818 1196.959       62.72435 1210.000       113.7556 1191.262       75.18707 156.6542 7.439907 155.7578 4.937832 0.8963928      8.929412 
1 1 1 -14 11 4  o 252.3064 5.026283 3123.047       124.1313 3076.433       175.0853 3170.157       176.0149 250.0059 7.162109 253.8025 7.092072 -3.796646      10.07935 
1 1 1 -14 11 5  o 58.39532 3.261565 167.5825       18.56869 149.9654       27.84009 181.6997       24.92179 55.03606 5.230744 60.73309 4.218472 -5.697037      6.719835 
1 1 1 -14 11 6  o 126.4314 3.244547 783.6552       40.11958 767.8550       57.61361 798.5295       55.90048 125.0305 4.716088 127.5286 4.485166 -2.498032      6.508318 
1 1 1 -14 11 7  o 116.3787 3.161180 664.0253       35.97714 606.6698       50.41884 723.5253       51.35272 111.1180 4.645807 121.3949 4.328650 -10.27685      6.349862 
1 1 1 -14 11 8  o 43.20872 3.888385 92.25530       16.26977 95.62104       22.80746 88.76795       23.21583 43.80136 5.436272 42.12531 5.782799 1.676048       7.936865 
1 1 1 -14 11 9  f 125.2359 3.636239 769.3372       44.52740 859.1000       78.51747 726.7837       54.06122 132.0878 6.089299 121.6409 4.548473 10.44695       7.600538 
1 1 1 -14 11 10 o 62.44078 3.950706 191.9045       24.02243 186.1362       28.16545 207.3000       46.01400 61.41510 4.721492 64.46806 7.427473 -3.052959      8.801127 
1 1 1 -14 11 11 o 79.45966 4.691730 310.8564       36.32859 341.2000       60.67545 293.9000       45.35710 82.88833 7.561662 77.09650 6.059071 5.791832       9.689740 
1 1 1 -14 11 12 o 113.3215 3.636603 630.1142       40.28577 627.9929       50.08894 634.0000       67.79329 113.0495 4.535752 113.4035 6.130156 -0.3539429     7.625737 
1 1 1 -14 11 13 o 50.38001 4.050776 125.2665       19.80750 128.6158       23.83970 117.8000       35.59434 50.96437 4.836798 48.28502 7.796712 2.679356       9.175148 
1 1 1 -14 11 14 o 69.20592 3.227101 235.2157       21.80041 239.9753       29.55035 229.5317       32.29271 69.80723 4.346262 68.21022 4.868708 1.597008       6.526432 
1 1 1 -14 11 15 o 199.6589 4.821471 1956.828       94.22678 1822.000       153.6658 2038.073       119.2845 191.9463 8.197710 203.5088 5.994713 -11.56247      10.15574 
1 1 1 -14 11 16 o 285.7019 6.464021 4017.099       180.7682 3973.000       308.7299 4040.105       222.9900 282.3625 11.19249 285.9985 7.973326 -3.635925      13.74211 
1 1 1 -14 11 17 o 71.08617 3.598533 248.3889       24.95755 247.2000       35.83858 249.5084       34.77600 70.74699 5.211900 71.10037 5.029367 -0.3533783     7.242820 
1 1 1 -14 11 18 o 49.73724 3.901891 122.0815       18.84407 110.2832       23.69422 142.3879       31.08488 47.08993 5.228565 53.46066 6.046300 -6.370728      7.993474 
1 1 1 -14 11 19 o ?        ?        -53.30272      10.97415 -50.92239      12.08325 -64.51245      26.22183 ?        ?        11.80721 5.866224 ?              ?        
1 1 1 -14 11 20 o 159.9611 3.691517 1255.108       57.79967 1175.950       78.75797 1347.509       85.09105 154.5756 5.212776 165.4709 5.260272 -10.89528      7.405639 
1 1 1 -14 11 21 o 153.0456 3.608222 1148.967       54.05305 1094.423       74.95967 1208.051       78.01708 149.1063 5.143709 156.6727 5.094104 -7.566422      7.239312 
1 1 1 -14 11 22 o 164.5106 3.752239 1328.141       60.42136 1254.503       83.03024 1411.029       88.09162 159.5788 5.323083 169.2517 5.323973 -9.672943      7.528605 
1 1 1 -14 11 23 o 166.0442 4.417834 1355.826       71.73868 1347.000       127.2370 1359.940       86.86142 164.6358 7.918774 166.1115 5.349185 -1.475662      9.556190 
1 1 1 -14 11 24 o 181.4757 3.960141 1617.682       70.34532 1554.513       97.02799 1687.676       102.1350 177.4911 5.591860 184.9288 5.649023 -7.437637      7.948607 
1 1 1 -14 11 25 o 91.34515 3.127646 409.8847       27.92339 407.3238       38.42011 412.7520       40.65377 90.90445 4.330297 91.47521 4.554695 -0.5707626     6.284642 
1 1 1 -14 11 26 o 184.7924 4.008560 1679.227       72.50678 1603.210       99.92524 1763.756       105.3715 180.0455 5.677143 188.8433 5.707083 -8.797806      8.049891 
1 1 1 -14 11 27 o 193.7133 4.864120 1852.220       92.15655 1824.000       162.1640 1865.682       111.9999 190.4541 8.721921 194.0282 5.904083 -3.574051      10.53234 
1 1 1 -14 11 28 o 45.54770 3.908253 102.8634       17.25603 95.39751       22.27220 114.0753       27.29380 43.60065 5.329364 47.59451 5.991143 -3.993851      8.018474 
1 1 1 -14 11 29 o 104.0609 3.172034 532.7895       32.27187 453.2675       42.89155 636.5465       48.99334 95.68880 4.592765 113.4777 4.419280 -17.78886      6.373659 
1 1 1 -14 11 30 o 51.06193 3.764824 129.1803       18.68458 126.4451       24.67299 132.8581       28.60994 50.26299 5.084819 51.37041 5.790583 -1.107430      7.706246 
1 1 1 -14 11 31 o 74.00405 3.373558 270.2547       24.37284 261.7858       32.99237 280.4291       36.16209 72.55896 4.670126 75.03647 4.951181 -2.477509      6.806193 
1 1 1 -14 11 32 o 59.48744 3.670765 175.2899       21.27001 168.1863       28.15198 184.7388       32.46833 57.96441 5.010985 60.62662 5.532187 -2.662205      7.464252 
1 1 1 -14 11 33 o 133.3464 4.007234 880.6941       52.24431 912.8464       64.59882 819.9000       88.82787 135.3733 4.883120 127.0043 7.174544 8.369019       8.678648 
1 1 1 -14 11 34 o 50.99430 4.665265 130.3687       23.02879 123.0640       26.68203 151.7000       45.59587 49.26407 5.634511 53.45588 9.035811 -4.191814      10.64864 
1 1 1 -14 11 35 f 42.01820 4.759795 89.05988       19.23197 87.19370       24.68398 91.94275       30.67957 41.10991 6.337680 41.73309 7.797024 -0.6231880     10.04787 
1 1 1 -14 11 36 f 52.37661 4.574161 137.7075       23.21559 134.3000       32.28023 141.3582       33.41266 51.03634 6.617402 52.35807 6.670882 -1.321728      9.396312 
1 1 1 -14 11 37 o 84.13508 5.149679 356.2126       42.20637 0.000000       0.000000 356.2126       42.20637 ?        ?        84.13508 5.149679 ?              ?        
1 1 1 -14 11 38 o 43.05565 8.209991 99.51821       33.33778 0.000000       0.000000 99.51821       33.33778 ?        ?        43.05565 8.209991 ?              ?        
1 1 1 -14 11 39 o 22.30799 9.505757 6.591530       36.49114 -58.88000      58.96983 47.22000       46.45355 21.36813 10.18498 30.84529 11.49229 -9.477161      15.35599 
1 1 1 -14 11 40 o 22.82361 7.846503 25.95342       21.19213 48.67812       28.59888 -1.720343      31.55979 29.74958 9.030941 19.62287 8.598515 10.12671       12.46966 
1 1 1 -14 11 41 o 26.42520 7.906265 37.95794       22.03443 11.72207       29.14955 72.93490       33.65699 21.07123 8.703102 35.76936 9.466741 -14.69814      12.85936 
1 1 1 -14 11 42 o 76.99900 4.371284 299.6945       32.81049 313.3128       40.75219 274.6000       55.31947 78.11641 5.362222 71.03559 8.100621 7.080818       9.714602 
1 1 1 -14 11 43 o 12.57940 6.112015 -37.00488      23.76710 -37.55471      29.22024 -35.93000      40.85549 14.50422 6.980796 18.15155 8.601521 -3.647326      11.07780 
1 1 1 -14 11 44 o 18.59801 7.620762 9.798043       22.11943 29.22418       31.44581 -9.227539      31.11993 24.66431 9.396754 18.11116 8.193825 6.553158       12.46747 
1 1 1 -14 11 45 o 18.88501 7.774594 10.00475       23.16025 9.600995       33.67551 10.36712       31.90337 21.40769 9.127198 21.13055 8.941328 0.2771435      12.77705 
1 1 1 -14 11 46 o 46.19122 5.739462 112.4250       25.39191 117.4647       37.65092 108.2206       34.38945 45.18962 8.828711 43.67447 8.348576 1.515152       12.15092 
1 1 1 -14 11 47 o 21.77796 8.727053 19.12297       28.27595 -5.697037      33.28766 83.44000       53.58526 18.96154 8.535906 35.37701 12.45774 -16.41548      15.10155 
1 1 1 -14 11 48 o 17.35147 7.479366 3.171965       23.07702 3.155836       33.15548 3.187122       32.13988 20.04941 8.798501 19.81074 8.679107 0.2386665      12.35882 
1 1 1 -14 11 49 f 34.99617 7.891828 70.62251       26.38666 95.89000       46.23605 58.41825       32.13330 37.86461 11.48043 30.84284 9.611213 7.021772       14.97250 
1 1 1 -14 11 50 o 21.65655 8.051844 23.80202       22.78027 5.084484       34.66134 38.03461       30.22478 20.43977 8.982100 25.78244 9.325096 -5.342670      12.94742 
1 1 1 -14 11 51 o 21.62632 8.011354 23.80930       22.51377 37.21546       34.25950 13.61924       29.86877 25.85410 9.818048 20.76203 8.710745 5.092070       13.12521 
1 1 1 -14 11 52 o 48.29859 5.346759 123.4430       24.85453 125.9694       37.59663 121.4817       33.12559 46.21911 8.627616 46.26361 7.577127 -0.4450226E-01 11.48254 
1 1 1 -14 11 53 o 31.69185 7.692582 58.37496       23.61932 33.99701       35.15912 78.42503       31.88580 25.13684 9.838771 35.81891 9.082930 -10.68207      13.39033 
1 1 1 -14 11 54 o 44.95112 5.733712 108.5195       24.65451 133.9602       36.35423 86.85462       33.54807 48.15213 7.993330 37.60933 9.192017 10.54280       12.18140 
1 1 1 -14 11 55 o 36.29811 7.200517 75.10123       24.67961 80.17722       36.72314 70.92047       33.32786 35.14364 10.12505 33.40397 9.652282 1.739666       13.98868 
1 1 1 -14 11 56 o 18.12419 7.689808 8.223103       23.70378 -14.78426      35.97650 25.87253       31.51018 18.06350 8.402535 22.92263 9.203406 -4.859138      12.46215 
1 1 1 -14 11 57 o 35.32607 8.879077 77.88053       30.66293 115.5697       37.81028 5.474000       52.40715 42.92028 9.271347 22.87432 10.45887 20.04596       13.97662 
1 1 1 -14 11 58 o 27.97596 8.342026 48.38817       24.56211 34.34113       37.06649 59.38511       32.79630 24.62105 9.947840 29.92798 9.753547 -5.306929      13.93166 
1 1 1 -14 12 1  o 231.9768 4.699735 2639.635       106.7146 2656.491       153.2961 2623.787       148.6459 232.3423 6.747718 230.9370 6.582585 1.405319       9.426671 
1 1 1 -14 12 2  o 88.25784 2.991571 382.0131       25.80659 346.6057       38.25057 411.5952       34.96270 83.93179 4.674381 91.55099 3.910544 -7.619202      6.094440 
1 1 1 -14 12 3  o 99.78360 4.075448 488.9447       39.72152 429.4000       56.41152 547.5000       55.94085 93.27797 6.213926 105.4680 5.437142 -12.19001      8.256839 
1 1 1 -14 12 4  o 173.1480 5.512585 1473.425       93.30937 1298.000       126.1968 1685.000       138.5910 162.1222 7.976920 184.8237 7.677468 -22.70149      11.07135 
1 1 1 -14 12 5  o 196.7357 4.156604 1897.750       80.04388 1736.413       108.5796 2089.797       118.4633 187.9196 5.910311 206.1792 5.875922 -18.25960      8.334161 
1 1 1 -14 12 6  o 57.53838 3.312562 162.7559       18.57754 153.6304       27.66532 170.2502       25.07106 55.71465 5.130521 58.75620 4.391014 -3.041557      6.753018 
1 1 1 -14 12 7  o 71.36302 3.174695 250.0106       22.12040 220.8846       32.43775 275.3291       30.24334 66.90514 4.989107 74.81992 4.145792 -7.914780      6.486815 
1 1 1 -14 12 8  o 51.70114 3.588120 131.6369       18.04556 123.4508       26.04682 139.1929       25.02442 49.85046 5.425436 53.03771 4.874773 -3.187248      7.293749 
1 1 1 -14 12 9  o 20.54774 7.123163 18.66334       17.47868 27.01485       19.76645 -11.28000      37.42797 23.67817 7.559449 21.03174 9.284341 2.646431       11.97265 
1 1 1 -14 12 10 o 141.5546 4.945972 984.6851       68.42489 872.8000       97.56156 1093.000       95.99234 132.8907 7.531113 148.9163 6.601901 -16.02559      10.01513 
1 1 1 -14 12 11 o 78.16854 3.531109 300.1062       26.94800 285.7217       33.80045 325.2000       44.64352 76.17669 4.553875 81.16380 5.654765 -4.987114      7.260451 
1 1 1 -14 12 12 o 277.6794 6.321547 3792.349       171.8198 3814.434       211.9388 3750.000       293.4807 278.0238 7.795629 274.5703 10.94184 3.453552       13.43487 
1 1 1 -14 12 13 o 197.6777 4.188412 1916.741       81.04256 1838.113       112.4745 2001.643       116.8751 193.2701 5.952524 201.6967 5.926364 -8.426529      8.399663 
1 1 1 -14 12 14 o 18.85637 6.483358 15.89886       14.46859 15.55610       18.00200 16.52425       24.31670 19.72001 7.187364 21.77718 8.271153 -2.057173      10.95765 
1 1 1 -14 12 15 o 232.2169 5.424326 2649.635       123.2951 2771.000       217.3928 2592.085       149.7005 236.3557 9.415487 229.3526 6.675374 7.003036       11.54175 
1 1 1 -14 12 16 o 192.6793 4.705367 1822.655       88.74316 1734.000       146.3321 1874.229       111.6096 187.2163 8.003739 195.1339 5.849964 -7.917633      9.913724 
1 1 1 -14 12 17 o 227.0519 5.326711 2533.688       118.3833 2480.000       199.8081 2562.729       146.9539 223.5401 9.151042 228.0022 6.591620 -4.462097      11.27790 
1 1 1 -14 12 18 o 53.53482 3.659586 141.2133       19.06140 139.2506       24.48979 144.2299       30.36019 53.03424 4.768474 53.82851 5.856473 -0.7942734     7.552260 
1 1 1 -14 12 19 f 181.8054 4.542132 1623.218       80.83005 1798.000       144.6306 1543.832       97.47326 190.5637 7.770081 177.0535 5.631545 13.51018       9.596272 
1 1 1 -14 12 20 o 173.1322 4.373765 1472.869       74.06133 1419.000       122.1222 1504.207       93.14488 169.3091 7.386770 174.7739 5.451395 -5.464767      9.180527 
1 1 1 -14 12 21 o 138.7879 3.445172 944.8759       46.80247 870.0393       63.79234 1032.118       68.87711 132.9321 4.911109 144.8084 4.866226 -11.87625      6.913693 
1 1 1 -14 12 22 o 71.59173 3.171081 251.8598       22.16651 241.9105       29.30054 265.1743       33.89541 70.04059 4.294500 73.28412 4.750854 -3.243530      6.404166 
1 1 1 -14 12 23 o 148.5121 4.190192 1084.654       60.85102 1116.000       111.2079 1071.258       72.70020 149.8266 7.607889 147.4322 5.045189 2.394424       9.128741 
1 1 1 -14 12 24 o 131.3341 3.332434 847.1186       42.80497 803.0850       58.69304 897.1501       62.56285 127.6506 4.705453 134.9212 4.744678 -7.270584      6.682309 
1 1 1 -14 12 25 o 131.1759 3.992982 846.8178       51.20962 854.5000       94.49615 843.6236       60.93277 130.8955 7.405566 130.7744 4.768147 0.1211395      8.807817 
1 1 1 -14 12 26 o 126.8211 3.951854 791.9104       48.99686 843.7000       93.52753 772.3206       57.52195 129.9508 7.383205 125.0837 4.706543 4.867111       8.755756 
1 1 1 -14 12 27 o 222.9160 5.390106 2458.339       117.6101 2355.000       202.4836 2510.953       144.4808 215.4748 9.624640 224.6086 6.578785 -9.133835      11.65822 
1 1 1 -14 12 28 o 116.9221 3.237261 672.5488       37.01370 647.2324       51.28005 700.0836       53.47977 114.3991 4.588828 118.9820 4.600669 -4.582954      6.497962 
1 1 1 -14 12 29 o 80.81924 3.169817 321.6903       25.02720 307.7595       34.29668 337.5581       36.60342 78.80263 4.464630 82.52161 4.549160 -3.718979      6.373993 
1 1 1 -14 12 30 o 83.97303 3.254851 347.5663       26.70262 327.9993       36.59896 369.8374       39.04615 81.27798 4.619355 86.31634 4.638496 -5.038353      6.546303 
1 1 1 -14 12 31 o 99.89983 3.250809 492.0321       31.74562 477.5636       43.71124 508.1815       46.18064 98.06969 4.566105 101.1354 4.677657 -3.065704      6.536803 
1 1 1 -14 12 32 o 72.18382 5.731337 262.1864       40.16285 207.7000       61.45807 302.8000       53.06044 62.21937 10.46218 77.05676 7.115147 -14.83739      12.65237 
1 1 1 -14 12 33 o 32.02908 6.192460 53.22864       18.71159 55.02123       21.23033 46.99000       39.60600 32.39826 6.905871 30.77505 10.71944 1.623211       12.75137 
1 1 1 -14 12 34 o 49.80938 4.157080 123.9058       20.08312 124.8161       26.13649 122.5935       31.38099 49.63593 5.470135 48.76231 6.755980 0.8736191      8.692850 
1 1 1 -14 12 35 o 20.10656 7.221558 17.97169       18.08888 2.665000       23.17583 41.83155       28.93535 17.95328 7.609912 28.37677 9.154738 -10.42350      11.90462 
1 1 1 -14 12 36 o 107.7217 3.792893 576.0028       39.93023 663.1000       65.88000 525.4265       50.20245 114.4698 5.899621 102.3331 5.027290 12.13671       7.751075 
1 1 1 -14 12 37 o 19.25436 7.237421 14.91612       18.50736 17.47100       24.08113 11.22959       28.92682 21.33087 8.199015 21.25413 8.712661 0.7674599E-01  11.96387 
1 1 1 -14 12 38 o 39.19735 5.834505 79.37773       21.70419 61.90554       29.20774 100.9228       32.43382 33.60991 8.782549 43.44395 7.918829 -9.834034      11.82544 
1 1 1 -14 12 39 o 22.66362 9.053591 17.67110       30.33437 0.000000       0.000000 17.67110       30.33437 ?        ?        22.66362 9.053591 ?              ?        
1 1 1 -14 12 40 o 20.73268 9.195174 -4.272350      37.13136 -21.04000      61.11864 5.537000       46.74743 24.37855 11.20162 24.20162 10.53751 0.1769257      15.37906 
1 1 1 -14 12 41 o 20.66607 7.616473 19.45047       20.30356 23.84493       26.08651 12.69778       32.33710 22.87325 8.593608 21.92299 9.120590 0.9502525      12.53137 
1 1 1 -14 12 42 o 15.52423 6.842919 -2.917811      20.26064 -12.17384      26.62032 9.826002       31.23565 16.38736 7.478063 21.08048 8.879871 -4.693121      11.60920 
1 1 1 -14 12 43 o 15.33685 6.992871 -10.71619      23.21603 -3.778301      28.45152 -24.54000      40.16110 18.08961 8.034532 18.94791 8.835303 -0.8582916     11.94221 
1 1 1 -14 12 44 o 52.93983 5.539871 146.0439       28.28250 187.4525       35.53873 74.52000       46.70697 59.61494 6.179859 34.58065 11.65285 25.03429       13.19013 
1 1 1 -14 12 45 o 21.83221 8.518712 20.48891       26.29019 4.620855       33.09486 47.63000       43.28251 20.47042 8.890059 29.22563 11.04985 -8.755207      14.18211 
1 1 1 -14 12 46 o 35.80552 8.047389 72.97267       27.51554 66.76225       33.04279 87.02000       49.69506 33.35846 9.602317 36.44258 12.01364 -3.084126      15.37960 
1 1 1 -14 12 47 o 22.55963 8.122892 26.32931       22.90249 58.03423       32.77936 -3.909149      32.01229 31.01525 9.713758 18.82554 8.430962 12.18971       12.86228 
1 1 1 -14 12 48 o 63.86092 4.869233 211.1492       30.20752 247.1000       51.99685 192.8345       37.11271 65.96881 8.231116 59.81666 6.439956 6.152149       10.45104 
1 1 1 -14 12 49 o 29.59209 8.481775 51.86253       25.83356 66.14000       45.16273 44.91914       31.49489 31.81772 11.41284 27.50070 9.560195 4.317022       14.88793 
1 1 1 -14 12 50 o 56.55635 4.661172 165.7538       25.57489 196.6987       38.36015 140.9928       34.31388 60.00433 6.642267 50.30028 7.172282 9.704052       9.775548 
1 1 1 -14 12 51 o 59.89495 4.532391 185.4142       26.37476 169.7250       39.19210 198.4009       35.65709 54.89421 7.489089 60.71962 6.081187 -5.825405      9.647139 
1 1 1 -14 12 52 o 33.04294 7.519661 62.91594       23.77227 65.33833       36.14980 61.07022       31.55485 31.87734 10.22777 31.29826 9.483087 0.5790844      13.94763 
1 1 1 -14 12 53 o 49.85200 5.201269 131.1711       25.00746 157.6563       37.08251 109.0792       33.86753 52.89823 7.360927 43.09669 8.329904 9.801537       11.11623 
1 1 1 -14 12 54 o 24.49665 8.191102 34.78644       23.08182 -25.54856      33.76668 87.70661       31.62382 16.52716 7.828236 38.15320 8.666028 -21.62604      11.67824 
1 1 1 -14 12 55 o 19.61444 7.953486 15.15898       23.79065 -13.41182      36.23029 36.81727       31.54444 18.34855 8.499620 25.27737 9.459688 -6.928820      12.71728 
1 1 1 -14 12 56 o 22.82026 9.037005 26.58611       29.96911 76.04031       37.40374 -62.09000      50.08605 33.70204 10.34711 17.61906 8.628185 16.08298       13.47250 
1 1 1 -14 12 57 o 18.80357 7.782731 12.85976       23.37673 13.44714       35.33326 12.40250       31.17518 21.14920 9.185305 20.26935 8.714665 0.8798504      12.66156 
1 1 1 -14 13 1  o 166.8248 5.197089 1367.446       84.76114 1334.000       120.6887 1400.000       119.0684 164.4151 7.519169 168.4920 7.236439 -4.076859      10.43571 
1 1 1 -14 13 2  o 224.2939 5.269958 2469.715       115.6993 2222.000       189.1567 2617.790       146.2472 211.9046 9.141086 230.6484 6.484287 -18.74377      11.20738 
1 1 1 -14 13 3  o 69.41515 3.130908 236.5582       21.21834 223.3731       33.17114 245.6892       27.60448 67.27216 5.074968 70.67642 4.006649 -3.404259      6.465952 
1 1 1 -14 13 4  o 178.1404 4.486805 1557.600       78.17361 1531.885       96.39646 1607.000       133.6067 176.5225 5.586012 180.4670 7.580406 -3.944473      9.416267 
1 1 1 -14 13 5  o 55.46459 3.449978 151.3442       18.63729 127.3147       28.77870 168.7017       24.45920 50.56079 5.927426 58.49262 4.302136 -7.931828      7.324121 
1 1 1 -14 13 6  o 117.5373 3.560164 677.7402       40.91204 599.0000       68.17958 722.0461       51.14308 110.1929 6.347996 121.2557 4.315904 -11.06283      7.676203 
1 1 1 -14 13 7  o 58.89137 4.291217 171.0027       24.56676 170.1605       29.77074 172.8000       43.49303 58.63826 5.242064 58.71510 7.757294 -0.7684326E-01 9.362416 
1 1 1 -14 13 8  o 69.70549 3.876066 238.9586       26.34212 177.9000       55.46017 256.7463       29.93423 59.16862 9.927250 72.22684 4.252944 -13.05821      10.79990 
1 1 1 -14 13 9  f 56.67495 3.914564 158.2432       21.58263 150.7375       29.04317 167.5000       32.25355 55.13123 5.453319 58.10476 5.746158 -2.973534      7.921933 
1 1 1 -14 13 10 o 103.2454 3.598460 523.1691       36.31023 484.1239       45.14533 594.7000       61.10484 99.21523 4.661701 109.8644 5.701656 -10.64912      7.364804 
1 1 1 -14 13 11 o 96.73725 3.529176 459.3351       33.36143 453.1544       42.30526 469.5000       54.25315 95.99396 4.515054 97.57691 5.705194 -1.582954      7.275641 
1 1 1 -14 13 12 o 72.92380 3.267179 261.1487       23.26184 228.6971       32.45853 295.4161       33.35418 68.07664 4.903933 77.46876 4.416935 -9.392113      6.599839 
1 1 1 -14 13 13 o 61.59986 3.468717 186.5968       20.83036 192.0792       29.03708 180.7841       29.89897 62.36893 4.793137 60.45948 5.099766 1.909451       6.998698 
1 1 1 -14 13 14 o 31.59383 5.721970 50.57358       17.04382 58.71000       23.13259 40.91161       25.20812 33.88126 7.197590 28.55694 8.435019 5.324322       11.08850 
1 1 1 -14 13 15 o 147.3871 3.981016 1066.360       57.38013 1156.000       100.0640 1022.442       70.03972 153.0492 6.695648 144.1957 4.969762 8.853546       8.338479 
1 1 1 -14 13 16 o 45.61254 4.119684 102.9108       18.19501 86.12295       23.83946 126.3355       28.16017 41.40340 6.061960 50.34765 5.821228 -8.944244      8.404407 
1 1 1 -14 13 17 o 153.1292 4.073138 1151.491       60.99686 1193.000       103.8916 1129.655       75.35130 155.3929 6.847164 151.5257 5.087619 3.867157       8.530388 
1 1 1 -14 13 18 o 105.2191 3.573860 543.6185       36.75423 666.7000       62.49708 478.5434       45.44339 116.2907 5.506094 98.58665 4.722929 17.70406       7.254179 
1 1 1 -14 13 19 o 165.3617 3.767668 1341.678       60.98370 1266.681       84.67662 1422.496       87.90171 160.3697 5.402009 169.9793 5.289613 -9.609604      7.560536 
1 1 1 -14 13 20 o 105.1994 3.154690 543.1680       32.44781 559.7164       45.88309 526.6124       45.89318 106.6496 4.404766 103.4238 4.544469 3.225861       6.328835 
1 1 1 -14 13 21 o 46.02748 3.808680 104.7048       17.00576 101.2164       21.52720 110.4951       27.73506 45.09258 4.959020 46.93179 6.188113 -1.839211      7.929982 
1 1 1 -14 13 22 o 155.2823 3.633341 1183.696       55.22482 1190.056       78.38366 1177.428       77.81878 155.3751 5.161085 154.5498 5.151304 0.8253632      7.291963 
1 1 1 -14 13 23 o 144.2514 3.479624 1021.551       49.13133 970.7049       67.56236 1078.617       71.57558 140.3133 4.926906 147.9107 4.950754 -7.597473      6.984581 
1 1 1 -14 13 24 o 140.0695 4.099040 965.6750       56.13899 932.3000       100.7916 980.6855       67.59456 136.6965 7.562342 140.9829 4.905704 -4.286392      9.014152 
1 1 1 -14 13 25 o 75.85688 4.065601 283.9143       30.07714 241.0000       60.24386 298.1625       34.71290 68.69073 9.190401 77.65833 4.587070 -8.967598      10.27155 
1 1 1 -14 13 26 o 70.15831 4.200021 243.3052       28.71072 252.1000       59.29313 240.6116       32.81420 70.27808 8.812673 69.65399 4.843095 0.6240921      10.05578 
1 1 1 -14 13 27 o 57.09347 3.436188 160.8865       19.11415 143.3604       25.03523 185.3810       29.59672 53.65451 4.818186 61.03125 4.998073 -7.376740      6.942309 
1 1 1 -14 13 28 o 85.98592 3.174956 364.0396       26.67625 378.3615       37.44194 349.2750       38.01645 87.42677 4.389339 83.93274 4.645486 3.494034       6.391153 
1 1 1 -14 13 29 o 68.12727 3.292265 228.9634       21.88943 191.8863       28.82450 279.4756       33.64397 62.06870 4.781243 75.01620 4.604083 -12.94751      6.637609 
1 1 1 -14 13 30 o 86.31425 3.216560 367.3086       27.12814 360.4123       37.04625 375.2825       39.83537 85.21249 4.457047 86.88948 4.701278 -1.676987      6.478216 
1 1 1 -14 13 31 o 36.79302 5.284210 68.75709       18.48523 61.04078       20.77701 98.06000       40.48867 34.33984 6.417179 42.63603 9.893262 -8.296196      11.79224 
1 1 1 -14 13 32 o 20.92508 7.087231 20.88555       17.27753 26.10826       19.18550 -1.524000      39.74130 22.93037 7.459052 22.40388 9.735730 0.5264854      12.26466 
1 1 1 -14 13 33 o 13.37187 5.909876 -4.176368      15.20796 0.8856760E-02  18.34869 -13.36077      27.18136 15.64038 6.704434 16.83777 7.633723 -1.197386      10.15988 
1 1 1 -14 13 34 o 51.58496 4.369738 133.2137       21.85664 132.1000       29.75936 134.5179       32.20522 50.83741 6.102277 51.13198 6.587592 -0.2945671     8.979651 
1 1 1 -14 13 35 o 73.25127 3.553241 266.1745       25.40087 283.2914       34.73438 246.4979       37.24099 75.18771 4.743796 69.83474 5.492249 5.352966       7.257300 
1 1 1 -14 13 36 o 24.54669 7.124492 31.65258       18.12054 30.50906       23.01466 33.51766       29.39217 24.59657 8.178123 26.21202 9.226732 -1.615456      12.32941 
1 1 1 -14 13 37 o 60.36990 3.930865 181.9357       23.10184 189.9303       31.49118 172.6197       33.99406 61.20331 5.309099 58.01525 6.076278 3.188057       8.068934 
1 1 1 -14 13 38 o 12.53473 5.845251 -15.15829      17.58250 -25.73886      22.02571 3.427785       29.19237 13.14777 6.254877 19.82786 8.477018 -6.680086      10.53486 
1 1 1 -14 13 39 o 35.94400 6.167075 67.86049       20.91667 75.10184       27.44315 57.82262       32.31058 37.18402 7.789850 32.12317 9.565142 5.060848       12.33587 
1 1 1 -14 13 40 o 75.27335 5.655663 291.2443       41.36599 0.000000       0.000000 291.2443       41.36599 ?        ?        75.27335 5.655663 ?              ?        
1 1 1 -14 13 41 o 43.09203 9.527708 106.8141       39.11865 133.4000       63.04435 90.17000       49.88281 45.18890 13.33734 38.12132 11.98911 7.067589       17.93386 
1 1 1 -14 13 42 o 34.50776 8.617873 67.74165       29.01973 31.25000       62.61002 77.72624       32.75006 29.16477 12.44015 36.72055 9.146163 -7.555780      15.44052 
1 1 1 -14 13 43 o 28.93137 7.606024 46.74142       21.81986 61.53902       29.22258 28.09596       32.80269 32.64956 8.901316 24.60769 9.539656 8.041872       13.04755 
1 1 1 -14 13 44 o 23.58350 8.979906 26.45024       28.70755 147.4000       61.85658 -6.752224      32.40922 47.00625 13.00470 18.73628 8.429538 28.26997       15.49772 
1 1 1 -14 13 45 o 26.38265 9.398814 38.28344       30.57573 38.28344       30.57573 0.000000       0.000000 26.38265 9.398814 ?        ?        ?              ?        
1 1 1 -14 13 46 o 31.10894 8.430916 56.18490       26.30770 60.61407       31.76375 46.51000       46.94552 31.80550 9.487080 28.94871 11.35760 2.856785       14.79864 
1 1 1 -14 13 47 o 39.60097 8.241716 90.07548       30.90619 90.36000       42.31076 89.75000       45.25339 37.64664 10.87476 37.11444 11.37865 0.5322075      15.73957 
1 1 1 -14 13 48 o 24.35722 8.503181 33.07129       24.92957 27.25000       40.87529 36.51912       31.45752 24.86546 10.29148 25.60983 9.473003 -0.7443752     13.98757 
1 1 1 -14 13 49 o 28.85769 7.836455 48.47400       22.70169 22.52884       33.39019 70.77662       30.95770 22.94207 9.377580 34.10292 9.103836 -11.16086      13.06977 
1 1 1 -14 13 50 o 31.55985 7.590682 57.38543       23.16092 68.65676       34.79697 48.42005       31.03402 32.99171 9.950248 28.26087 9.498487 4.730837       13.75604 
1 1 1 -14 13 51 o 46.89021 5.407129 116.7061       24.36337 103.8796       36.68185 126.8306       32.58998 41.22320 9.311424 47.53363 7.232218 -6.310429      11.79015 
1 1 1 -14 13 52 f 18.86720 7.697162 12.72977       22.44276 -16.31125      33.02541 37.64852       30.59183 17.30693 8.050585 25.54805 9.360283 -8.241117      12.34613 
1 1 1 -14 13 53 o 18.77971 7.648261 12.74783       22.11248 10.11134       32.63148 14.98649       30.06898 20.59991 8.886864 20.89470 8.751379 -0.2947960     12.47249 
1 1 1 -14 13 54 o 56.70388 4.747973 167.8651       26.11110 193.9681       38.79113 146.2399       35.30756 59.09958 6.831275 50.83205 7.305789 8.267532       10.00204 
1 1 1 -14 13 55 o 28.49668 9.326716 50.86805       29.97333 51.57998       36.56596 49.41000       52.32912 28.38835 10.25823 28.25872 11.66524 0.1296310      15.53413 
1 1 1 -14 13 56 o 39.88562 6.572465 89.21737       24.76668 132.1797       37.51948 56.04118       32.97055 46.86737 8.491178 29.33213 9.789366 17.53524       12.95885 
1 1 1 -14 13 57 o 28.37647 8.826902 51.06904       27.11603 67.91000       51.04899 44.44977       32.00434 30.19015 11.84390 26.40227 9.589136 3.787886       15.23908 
1 1 1 -14 14 1  o 199.5362 4.811647 1953.958       93.97702 1783.000       156.4238 2050.515       117.5579 189.8845 8.437095 204.1837 5.888141 -14.29922      10.28858 
1 1 1 -14 14 2  o 35.96772 4.382982 64.39299       15.11255 75.83327       26.94018 59.13984       18.25543 38.60146 7.399218 34.25230 5.641191 4.349155       9.304379 
1 1 1 -14 14 3  o 124.2129 3.253690 756.5828       39.52527 700.5081       56.77895 809.3045       55.05524 119.3699 4.869664 128.3707 4.387988 -9.000809      6.555004 
1 1 1 -14 14 4  o 176.9372 3.874050 1534.978       67.09507 1482.167       95.03571 1587.459       94.73850 173.6064 5.599941 179.7041 5.392050 -6.097687      7.773902 
1 1 1 -14 14 5  o 123.7979 3.253182 751.5577       39.38686 699.5562       56.59652 800.3948       54.84750 119.2867 4.857367 127.6576 4.395947 -8.370918      6.551211 
1 1 1 -14 14 6  o 44.78173 6.797714 100.9076       28.86187 100.9076       28.86187 0.000000       0.000000 44.78173 6.797714 ?        ?        ?              ?        
1 1 1 -14 14 7  o 228.8217 6.584931 2578.545       147.3339 0.000000       0.000000 2578.545       147.3339 ?        ?        228.8217 6.584931 ?              ?        
1 1 1 -14 14 8  o 111.0661 3.692691 605.4385       40.08912 546.6459       49.80682 713.6000       67.55598 105.4182 4.839798 120.3618 5.750785 -14.94358      7.516328 
1 1 1 -14 14 9  o 270.8087 7.562448 3618.615       200.2654 3672.000       287.0674 3568.000       279.5194 271.6531 10.81763 267.8268 10.68376 3.826263       15.20407 
1 1 1 -14 14 10 o 47.45568 3.931517 111.1961       18.09852 119.6333       27.12561 104.4264       24.29760 49.00021 5.765787 45.77029 5.535765 3.229916       7.993059 
1 1 1 -14 14 11 o 97.93660 3.166932 470.5506       30.31926 431.5693       43.33007 507.9461       42.43961 93.64353 4.742658 101.6611 4.274450 -8.017609      6.384648 
1 1 1 -14 14 12 o 87.82081 3.202462 378.4970       27.48273 364.5882       40.11069 390.8046       37.73124 86.04267 4.781358 89.13889 4.337439 -3.096214      6.455599 
1 1 1 -14 14 13 o 164.5340 4.230523 1329.197       68.07621 1312.000       115.2815 1338.404       84.35487 162.9582 7.245432 164.9630 5.230781 -2.004822      8.936295 
1 1 1 -14 14 14 o 84.27081 3.462068 348.7695       28.49661 331.0000       44.77986 360.8630       36.94223 81.85461 5.623152 85.62971 4.422484 -3.775101      7.153894 
1 1 1 -14 14 15 o 44.57087 4.154576 98.32795       17.91649 97.82650       24.35751 98.91911       26.44671 44.22614 5.763608 44.39271 6.259876 -0.1665688     8.509126 
1 1 1 -14 14 16 f 58.79859 3.563903 170.1783       20.41526 164.2924       28.23128 176.6302       29.55744 57.59811 5.058779 59.73145 5.104293 -2.133339      7.186450 
1 1 1 -14 14 17 o 127.1505 3.692105 793.7636       45.90271 827.4000       77.83759 775.8282       56.83809 129.4581 6.160300 125.5900 4.631514 3.868118       7.707153 
1 1 1 -14 14 18 o 62.48487 3.430931 192.0735       20.90370 218.4738       30.27712 168.0271       28.89581 66.51614 4.680177 58.23134 5.121712 8.284801       6.938011 
1 1 1 -14 14 19 o 66.61569 3.282283 218.1751       21.33632 216.8729       29.42146 219.6196       30.98765 66.27567 4.563128 66.66776 4.780340 -0.3920898     6.608614 
1 1 1 -14 14 20 f 226.8541 4.663963 2530.416       103.5638 2555.545       148.0115 2506.313       144.9589 227.3356 6.658710 225.1590 6.584399 2.176682       9.364439 
1 1 1 -14 14 21 o 149.3658 3.551692 1095.115       51.92694 1111.529       74.11060 1079.286       72.77907 150.1721 5.048969 147.9791 5.031901 2.193039       7.128262 
1 1 1 -14 14 22 o 157.5969 5.388035 1226.078       82.99368 1316.000       124.4232 1154.000       111.3960 162.5096 7.845144 152.2749 7.496733 10.23463       10.85114 
1 1 1 -14 14 23 o 114.5409 3.886966 645.6422       43.51588 679.1000       84.25659 633.4711       50.81813 116.6423 7.418186 113.3317 4.590509 3.310646       8.723661 
1 1 1 -14 14 24 o 157.4957 3.666361 1219.230       56.52103 1212.816       79.67348 1225.729       80.19468 156.6556 5.203130 157.4865 5.209478 -0.8308411     7.362827 
1 1 1 -14 14 25 o 27.00288 5.748402 37.45797       14.72721 35.05366       18.40256 41.74063       24.56065 26.08907 7.043217 28.54270 8.297427 -2.453629      10.88367 
1 1 1 -14 14 26 o 110.2265 3.926562 599.1584       42.29707 493.5000       77.79065 643.5067       50.39803 98.77711 8.117277 114.0993 4.521525 -15.32223      9.291630 
1 1 1 -14 14 27 o 59.90889 4.575510 178.3498       26.62801 149.1000       57.86892 186.2064       29.99175 52.69040 11.54052 61.12107 5.058335 -8.430664      12.60041 
1 1 1 -14 14 28 o 106.5342 3.978244 560.7645       41.41170 399.2000       75.14011 631.2464       49.62922 88.17148 8.824843 112.8932 4.500228 -24.72171      9.906054 
1 1 1 -14 14 29 f 87.16737 3.276295 374.6502       27.90420 406.5782       39.75670 343.6502       39.17473 90.51748 4.501283 83.10973 4.836470 7.407753       6.607040 
1 1 1 -14 14 30 o 37.91832 5.327384 72.95998       19.22828 83.43078       22.16302 41.09000       38.66607 40.48372 5.754892 29.56905 10.56549 10.91467       12.03114 
1 1 1 -14 14 31 o 100.1840 3.743211 496.7474       36.64244 522.3227       45.11901 447.2000       62.80003 102.4792 4.509019 93.80424 6.887626 8.674957       8.232293 
1 1 1 -14 14 32 o 18.90645 6.634643 16.23126       15.18928 1.322171       18.24877 49.85421       27.40475 15.88177 6.743146 30.60561 8.724207 -14.72384      11.02641 
1 1 1 -14 14 33 o 91.42898 3.646424 414.2343       32.56756 484.1000       51.40174 367.3781       42.09490 98.15839 5.370342 85.60633 5.046007 12.55206       7.369040 
1 1 1 -14 14 34 o 86.78520 3.436247 373.0261       29.13244 419.2851       41.43352 327.7976       40.96939 91.58038 4.637233 80.71863 5.213248 10.86176       6.977241 
1 1 1 -14 14 35 f 23.19013 6.972781 27.90436       17.10676 54.35037       21.25909 -20.67578      28.81336 32.03928 6.976987 16.41036 7.594117 15.62892       10.31256 
1 1 1 -14 14 36 o 12.58630 5.786103 -11.14297      16.33528 -8.219279      20.25425 -16.58368      27.62983 14.82153 6.666451 16.45091 7.548847 -1.629382      10.07108 
1 1 1 -14 14 37 o 20.82319 7.215452 20.77630       17.93364 25.17589       23.06149 14.04526       28.52477 23.00968 8.166160 21.61460 8.728983 1.395079       11.95330 
1 1 1 -14 14 38 o 33.15060 6.314536 58.02050       19.74185 51.18099       25.12267 69.06255       31.92110 30.55610 8.220760 35.15102 9.179561 -4.594917      12.32255 
1 1 1 -14 14 39 f 63.91338 4.012499 205.0687       24.97560 216.3944       33.83878 191.5161       37.01639 65.03255 5.363552 60.64212 6.329169 4.390430       8.296147 
1 1 1 -14 14 40 o 25.58056 7.463875 35.66726       19.84114 26.90301       24.99486 50.59863       32.62446 23.41949 8.478704 29.94137 9.725828 -6.521887      12.90272 
1 1 1 -14 14 41 o 42.60804 5.880188 95.27274       23.87073 134.4000       33.84583 56.54760       33.67146 50.01238 7.114292 31.27155 9.852219 18.74084       12.15234 
1 1 1 -14 14 42 o 28.60725 10.35835 45.23181       37.30717 110.7000       60.79996 5.697000       47.24741 40.69495 13.28129 23.75985 10.46230 16.93510       16.90717 
1 1 1 -14 14 43 o 31.76641 8.955718 58.56384       29.03997 87.29000       61.71991 50.39624       32.91045 36.36713 13.29995 29.49331 9.778693 6.873825       16.50792 
1 1 1 -14 14 44 o 26.83046 10.11526 38.03497       36.21130 -2.339000      57.90112 63.97000       46.40659 24.55255 11.13540 32.32092 11.57183 -7.768370      16.05940 
1 1 1 -14 14 45 f 23.68445 7.947370 30.51256       21.72647 2.355112       28.89687 67.12911       32.95284 18.95184 8.267757 33.43020 9.578695 -14.47836      12.65335 
1 1 1 -14 14 46 o 16.47236 7.305073 -2.650668      23.43048 -6.687000      35.46278 0.4763874      31.21383 19.34150 8.749020 19.20815 8.479015 0.1333523      12.18356 
1 1 1 -14 14 47 o 21.75505 8.714078 19.89309       28.17924 32.76000       38.20408 4.540000       41.73214 25.57504 10.17896 21.96769 9.745278 3.607357       14.09190 
1 1 1 -14 14 48 o 49.21308 5.940363 129.8311       28.03717 141.7770       35.55879 110.2000       45.58383 50.27177 7.451573 40.97886 11.09448 9.292912       13.36464 
1 1 1 -14 14 49 o 35.32564 7.853893 72.31910       26.45392 88.86053       34.29863 48.03000       41.56196 38.13340 9.278482 28.22950 10.79131 9.903896       14.23175 
1 1 1 -14 14 50 o 17.91259 7.769254 3.878418       25.20959 -1.043768      32.91783 10.86000       39.20388 19.15266 8.565464 22.04521 9.623389 -2.892555      12.88320 
1 1 1 -14 14 51 o 35.92360 6.851860 72.31409       23.21424 82.08044       34.11649 63.89359       31.67867 36.30762 9.494082 31.99857 9.456917 4.309048       13.40041 
1 1 1 -14 14 52 o 19.82789 7.774041 17.42883       21.98220 35.19647       31.98929 1.532403       30.25796 25.06485 9.494363 18.79130 8.319087 6.273542       12.62340 
1 1 1 -14 14 53 o 29.71855 7.764579 51.92149       22.83148 34.00262       32.94753 68.47530       31.66768 24.80753 9.575920 33.05066 9.363966 -8.243137      13.39336 
1 1 1 -14 14 54 o 26.57862 8.337153 42.21302       24.13746 85.26754       35.23806 4.154856       33.13039 36.63600 9.682073 19.73722 8.722980 16.89878       13.03200 
1 1 1 -14 14 55 o 24.73970 8.287670 36.24002       23.62789 23.84390       35.72428 45.87928       31.50230 23.01997 9.582432 27.10681 9.551312 -4.086840      13.52962 
1 1 1 -14 14 56 o 23.41355 8.679680 31.52723       26.43540 44.84000       49.46999 26.20630       31.27528 26.99391 11.25955 22.70078 9.149898 4.293131       14.50856 
1 1 1 -14 14 57 o 16.81845 7.340134 3.634322       22.79683 13.67396       34.16440 -4.423548      30.60729 20.84452 9.042678 17.65029 8.040563 3.194227       12.10044 
1 1 1 -14 15 1  o 73.03767 4.129623 262.4749       29.40294 225.7000       45.72611 288.4000       38.39271 67.33700 7.041494 76.46274 5.159925 -9.125740      8.729690 
1 1 1 -14 15 2  o 321.9959 6.243934 5099.555       196.7953 5168.104       282.3142 5034.761       274.4728 323.1972 8.932553 319.0493 8.797313 4.147919       12.53727 
1 1 1 -14 15 3  o 149.3356 3.541474 1093.204       51.76707 998.5251       72.78309 1190.135       73.64390 142.4929 5.227183 155.6327 4.840141 -13.13976      7.123932 
1 1 1 -14 15 4  o 74.25739 5.026674 271.9785       36.32114 271.9785       36.32114 0.000000       0.000000 74.25739 5.026674 ?        ?        ?              ?        
1 1 1 -14 15 5  o 82.57241 3.696981 334.9526       29.80477 214.8000       60.30873 373.7818       34.28411 65.15569 9.756050 87.20740 4.027240 -22.05170      10.55458 
1 1 1 -14 15 6  o 125.1588 4.419457 769.5734       54.05730 768.4000       79.13344 770.6000       74.01965 124.7884 6.500996 125.0332 6.066152 -0.2448730     8.891633 
1 1 1 -14 15 7  o 122.9939 3.768964 742.4573       45.32096 689.5367       56.24773 840.4000       76.52060 118.4115 4.863289 130.5907 6.002373 -12.17918      7.725286 
1 1 1 -14 15 8  o 155.5056 4.170813 1187.134       63.42794 1145.270       78.30690 1267.000       108.1573 152.5995 5.250349 160.2341 6.912218 -7.634674      8.680145 
1 1 1 -14 15 9  o 163.6654 4.231548 1315.062       67.73263 1401.000       121.7872 1276.577       81.49971 168.3991 7.406606 161.1262 5.174248 7.272888       9.034968 
1 1 1 -14 15 10 o 40.83082 4.434473 82.77484       17.43868 92.97059       27.53158 75.94351       22.53586 42.93413 6.775690 38.82360 6.133724 4.110531       9.139614 
1 1 1 -14 15 11 o 37.39517 5.152305 69.98425       18.35850 90.84000       30.39994 58.01209       23.03275 42.27195 7.627664 33.66906 7.206476 8.602890       10.49355 
1 1 1 -14 15 12 o 170.6932 4.335062 1430.922       72.37128 1425.000       124.3967 1433.952       88.97951 169.7540 7.505121 170.7227 5.331201 -0.9687805     9.205896 
1 1 1 -14 15 13 o 50.79855 4.102375 127.4449       20.22487 125.1000       31.09635 129.1640       26.62577 49.97950 6.511041 50.97214 5.419565 -0.9926453     8.471442 
1 1 1 -14 15 14 o 181.0970 4.497943 1610.453       79.73178 1598.000       136.5470 1616.895       98.21421 179.6363 7.784197 181.2190 5.543389 -1.582657      9.556301 
1 1 1 -14 15 15 o 29.89715 5.843731 45.50111       16.48794 60.19157       22.84140 29.51871       23.82461 34.31022 7.037616 25.05798 8.320459 9.252245       10.89762 
1 1 1 -14 15 16 o 106.0044 3.183931 551.4399       32.99904 542.6879       47.84171 559.3827       45.57607 104.9958 4.666755 106.6387 4.375617 -1.642899      6.397236 
1 1 1 -14 15 17 o 155.4423 4.106441 1187.202       62.42526 1362.000       114.1005 1112.529       74.57661 165.8838 7.043149 150.3133 5.076009 15.57045       8.681694 
1 1 1 -14 15 18 o 145.1144 3.943404 1034.663       55.96096 1183.000       101.2293 969.3797       67.15546 154.6195 6.704543 140.3079 4.897331 14.31158       8.302695 
1 1 1 -14 15 19 f 107.8010 3.828948 571.3074       40.33837 508.0000       75.55540 596.5468       47.70649 100.9384 7.705448 110.0762 4.436789 -9.137764      8.891514 
1 1 1 -14 15 20 o 50.95106 3.770673 128.1777       18.67195 121.7589       25.45467 135.6547       27.47293 49.42632 5.346425 52.18216 5.459392 -2.755836      7.641284 
1 1 1 -14 15 21 o 103.8691 3.208165 529.9645       32.57828 543.9786       46.89524 516.8922       45.29186 105.0377 4.572134 102.3912 4.530310 2.646492       6.436468 
1 1 1 -14 15 22 o 150.6432 3.583310 1114.873       52.83723 1163.808       76.69732 1070.671       72.89393 153.5300 5.110772 147.2634 5.064506 6.266571       7.195082 
1 1 1 -14 15 23 o 168.5799 3.818204 1397.495       63.00444 1397.056       89.43754 1397.928       88.76969 168.0573 5.444146 168.1237 5.401240 -0.6642151E-01 7.668907 
1 1 1 -14 15 24 o 192.5664 4.156369 1826.397       78.34310 1965.140       115.9951 1710.021       106.2349 198.9962 5.961819 185.6651 5.852934 13.33115       8.354647 
1 1 1 -14 15 25 o 94.28560 3.884870 438.5288       35.77641 486.2000       72.68553 423.2870       41.09975 98.22176 7.619769 92.49313 4.553661 5.728630       8.876751 
1 1 1 -14 15 26 o 84.64299 4.002834 354.0016       33.06988 278.1000       66.66561 378.7748       38.08619 73.33332 9.511245 87.46146 4.463578 -14.12814      10.50654 
1 1 1 -14 15 27 o 56.10859 3.550549 155.6849       19.39983 144.9909       25.65825 169.9574       29.64192 53.87843 4.919476 58.29043 5.251454 -4.412003      7.195764 
1 1 1 -14 15 28 f 71.16504 3.352384 249.9775       23.28650 198.2724       30.57596 321.3878       35.93301 63.01657 4.997907 80.43389 4.582995 -17.41732      6.781071 
1 1 1 -14 15 29 o 105.6473 3.754890 551.8076       38.76777 562.6040       47.85744 531.2000       66.11867 106.4085 4.605711 102.5710 6.620938 3.837486       8.065321 
1 1 1 -14 15 30 f 78.97948 3.358161 308.2443       25.90178 322.7938       35.82075 292.3003       37.49811 80.50211 4.564618 76.44571 5.039403 4.056396       6.799362 
1 1 1 -14 15 31 o 40.35023 4.603351 81.94977       17.85650 82.33944       22.76740 81.32696       28.78314 40.07606 5.987227 39.26947 7.763439 0.8065872      9.803972 
1 1 1 -14 15 32 o 33.29507 5.736841 57.16123       18.02167 59.14000       23.16262 54.12587       28.68768 33.45022 7.281389 31.74717 8.883850 1.703051       11.48658 
1 1 1 -14 15 33 o 43.39735 4.543127 94.79703       19.01288 104.6444       24.34959 79.41452       30.43308 45.30579 5.610542 38.47850 8.322662 6.827293       10.03718 
1 1 1 -14 15 34 o 106.0383 3.408142 556.7558       35.32828 573.0978       50.39140 540.9595       49.54287 106.9673 4.825241 103.8889 4.885669 3.078346       6.866783 
1 1 1 -14 15 35 o 53.01242 4.151917 140.7129       21.37254 157.7302       28.66104 119.3970       32.07732 55.75863 5.315629 47.77938 7.072154 7.979244       8.847105 
1 1 1 -14 15 36 o 17.47373 6.777249 10.73863       16.56179 10.79602       20.47419 10.63000       28.16960 18.70799 7.449739 20.87520 8.582014 -2.167208      11.36440 
1 1 1 -14 15 37 o 21.37669 7.062387 23.01822       17.17071 26.06677       21.18131 17.17475       29.32527 22.89529 7.845393 22.34032 8.909294 0.5549660      11.87121 
1 1 1 -14 15 38 o 17.57284 6.939639 10.24867       17.62742 8.622164       21.53774 13.54873       30.67840 18.39827 7.527211 21.84293 8.965355 -3.444658      11.70626 
1 1 1 -14 15 39 o 14.25997 6.343313 -4.680121      17.80334 -6.091503      21.65758 -1.738810      31.26498 15.55811 6.953522 19.36826 8.520285 -3.810157      10.99758 
1 1 1 -14 15 40 o 36.06426 6.013925 68.84144       20.48241 73.56844       25.96860 61.05962       33.31934 36.60573 7.499944 32.42623 9.727070 4.179497       12.28271 
1 1 1 -14 15 41 o 32.31705 6.783289 56.81199       20.77254 36.57914       26.70945 87.78236       33.04530 25.95066 8.811650 39.21110 8.823677 -13.26044      12.47006 
1 1 1 -14 15 42 o 29.76015 9.711355 51.31793       32.50793 0.000000       0.000000 51.31793       32.50793 ?        ?        29.76015 9.711355 ?              ?        
1 1 1 -14 15 43 o 32.87508 7.687689 60.69098       24.29397 47.73109       28.27599 97.23000       47.47834 28.79038 9.022572 39.06617 11.58559 -10.27579      14.68444 
1 1 1 -14 15 44 o 18.97105 8.186192 4.321763       27.70211 -29.43000      58.30397 14.16290       31.48273 22.23137 10.45556 21.54871 8.984817 0.6826649      13.78571 
1 1 1 -14 15 45 o 24.84680 9.385635 31.91813       31.21019 0.000000       0.000000 31.91813       31.21019 ?        ?        24.84680 9.385635 ?              ?        
1 1 1 -14 15 46 o 29.17960 9.692056 50.96442       32.32621 0.000000       0.000000 50.96442       32.32621 ?        ?        29.17960 9.692056 ?              ?        
1 1 1 -14 15 47 o 35.91279 8.047017 74.81224       27.58466 80.86000       53.78802 72.65402       32.13183 34.11095 12.42505 34.49988 9.303734 -0.3889351     15.52228 
1 1 1 -14 15 48 o 23.28705 7.996770 30.15572       22.00975 47.26494       31.94473 14.69371       30.36806 27.93924 9.632473 21.01400 8.797618 6.925243       13.04541 
1 1 1 -14 15 49 o 30.54089 8.411734 55.51222       25.94430 52.76794       33.27081 59.77000       41.44199 29.20612 9.834944 30.48359 10.93282 -1.277472      14.70553 
1 1 1 -14 15 50 o 27.71653 8.472239 45.86568       25.11181 31.36743       31.63836 70.55000       41.28257 24.27398 9.380061 32.54527 10.95526 -8.271284      14.42232 
1 1 1 -14 15 51 o 22.88158 8.419836 28.25114       24.79642 35.43733       31.49338 16.53000       40.22116 25.07765 9.437904 22.86784 9.865821 2.209810       13.65315 
1 1 1 -14 15 52 f 49.63459 5.773714 132.3577       27.52785 145.8589       34.49988 108.7000       45.66858 51.03144 7.098659 40.06773 11.20768 10.96371       13.26661 
1 1 1 -14 15 53 o 42.70856 6.895470 102.3545       27.84440 137.6097       35.09198 42.43000       45.75077 49.03808 7.552960 27.05693 11.00799 21.98115       13.35002 
1 1 1 -14 15 54 o 25.85445 8.065395 39.70287       22.62171 55.57080       34.97379 28.28873       29.66224 29.31970 10.07998 23.20918 9.050686 6.110521       13.54699 
1 1 1 -14 15 55 o 31.35888 8.297705 60.02922       25.86120 127.1000       49.89740 35.39534       30.23972 42.08199 11.69446 24.59267 9.249703 17.48932       14.91032 
1 1 1 -14 15 56 o 39.44568 6.300568 87.13258       23.50875 93.73514       35.81395 82.13383       31.16213 37.81326 9.646440 36.06174 8.886518 1.751526       13.11579 
1 1 1 -14 16 1  o 149.2566 4.942553 1095.102       72.10936 998.3000       101.1848 1195.000       102.7902 142.1240 7.297904 155.6316 6.763726 -13.50757      9.950246 
1 1 1 -14 16 2  o 108.0566 4.346680 573.8406       45.88047 497.8000       66.06024 644.7000       63.76991 100.3169 6.767195 114.3783 5.714040 -14.06144      8.856929 
1 1 1 -14 16 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 16 4  o 126.4948 4.461863 786.2202       55.15874 0.000000       0.000000 786.2202       55.15874 ?        ?        126.4948 4.461863 ?              ?        
1 1 1 -14 16 5  o 139.6542 3.992886 957.4042       54.52567 909.5334       67.80714 1045.000       91.72375 135.9836 5.103333 145.5632 6.453645 -9.579575      8.227608 
1 1 1 -14 16 6  o 156.0699 4.981245 1197.476       75.99882 1198.000       110.1088 1197.000       105.0283 155.7162 7.243921 155.7175 6.907883 -0.1266479E-02 10.00966 
1 1 1 -14 16 7  o 191.4400 5.727410 1803.713       107.2034 1795.000       153.5422 1812.000       149.7461 190.4063 8.257987 191.3718 8.011855 -0.9655762     11.50583 
1 1 1 -14 16 8  o 133.7790 3.800232 878.4518       49.71230 902.2000       88.18467 867.3893       60.18734 135.1689 6.685902 132.8387 4.635969 2.330231       8.135939 
1 1 1 -14 16 9  o 70.12650 3.367828 241.6431       23.04979 231.3239       35.84507 248.9185       30.09766 68.39053 5.398351 71.08418 4.346450 -2.693649      6.930644 
1 1 1 -14 16 10 o 118.5564 3.639979 689.9594       42.19056 736.6000       74.92919 668.3071       51.05296 122.1486 6.288116 116.5890 4.481947 5.559593       7.721933 
1 1 1 -14 16 11 o 112.1910 3.557957 617.8851       39.02254 617.0000       66.61882 618.3474       48.14712 111.7819 6.111883 112.1440 4.394703 -0.3621750     7.527850 
1 1 1 -14 16 12 o 103.3777 3.186782 524.4156       32.20821 480.5370       46.95607 563.4033       44.26182 98.77492 4.871704 107.0503 4.232453 -8.275345      6.453461 
1 1 1 -14 16 13 o 65.83241 3.360641 213.0676       21.58384 188.3309       32.69633 232.1725       28.73435 61.63598 5.476446 68.63422 4.298737 -6.998238      6.962083 
1 1 1 -14 16 14 o 114.4383 3.235670 642.6467       36.20809 609.0195       52.48066 673.1943       50.01987 111.2175 4.832340 117.0021 4.375306 -5.784576      6.518804 
1 1 1 -14 16 15 o 141.3828 3.475307 980.5435       48.09454 963.1596       69.48040 996.5353       66.64037 139.8501 5.084129 142.3046 4.791065 -2.454437      6.985891 
1 1 1 -14 16 16 o 107.5245 3.221457 567.5284       33.86694 525.4443       48.86044 606.4434       46.98478 103.2587 4.847731 111.0221 4.331873 -7.763405      6.501201 
1 1 1 -14 16 17 o 26.88673 6.043184 37.05592       15.51602 62.37221       22.75366 15.05159       21.21316 34.92617 6.900526 20.46654 7.736296 14.45963       10.36666 
1 1 1 -14 16 18 o 225.7202 4.652807 2506.023       102.7996 2572.720       149.2415 2445.806       141.8047 228.0025 6.694441 222.3656 6.522083 5.636902       9.346289 
1 1 1 -14 16 19 o 100.9863 3.173966 500.8693       31.33513 552.2751       47.27393 460.5840       41.84940 105.8532 4.573382 96.67126 4.434492 9.181915       6.370286 
1 1 1 -14 16 20 o 51.55926 3.798525 131.3237       19.03567 158.8499       26.99096 104.0830       26.85059 56.57182 4.923282 45.47059 6.193619 11.10123       7.911993 
1 1 1 -14 16 21 o 92.14697 3.153341 417.3120       28.39996 438.1628       40.69120 397.5087       39.65603 94.23558 4.423777 89.72950 4.529756 4.506081       6.331547 
1 1 1 -14 16 22 o 46.28876 4.039080 106.2275       18.11744 107.0019       24.83102 105.3458       26.49358 46.18694 5.607209 45.72831 6.068690 0.4586296      8.262553 
1 1 1 -14 16 23 o 70.10954 3.338134 242.1176       22.84219 256.0746       32.34538 228.2322       32.26226 71.90002 4.620425 67.81101 4.893496 4.089012       6.730129 
1 1 1 -14 16 24 o 83.97229 3.207294 347.1011       26.31370 345.8227       37.11959 348.3924       37.30751 83.57347 4.554841 83.88300 4.560924 -0.3095322     6.445820 
1 1 1 -14 16 25 o 91.90874 3.174809 415.8558       28.51859 394.4736       39.87683 438.2415       40.80183 89.22709 4.581145 94.09236 4.442704 -4.865273      6.381575 
1 1 1 -14 16 26 o 135.2871 4.115772 904.4630       54.43880 842.4000       100.3475 930.3464       64.80394 128.8467 7.995993 136.9592 4.841586 -8.112518      9.347559 
1 1 1 -14 16 27 o 68.82247 4.466058 235.3864       29.92328 196.1000       62.41922 247.1091       34.09668 60.51912 10.93961 70.39431 4.980599 -9.875195      12.02004 
1 1 1 -14 16 28 o 105.7072 3.791727 552.5448       39.16914 600.2897       49.70315 474.3000       63.62793 109.9116 4.630290 96.83817 6.755021 13.07342       8.189621 
1 1 1 -14 16 29 o 12.53435 5.678405 -8.043543      15.00596 4.004546       18.57989 -30.64541      25.44815 16.62953 6.915491 14.13255 6.723347 2.496984       9.645072 
1 1 1 -14 16 30 o 77.74190 3.397381 298.9131       25.79026 253.7176       35.08375 352.0501       38.04138 71.14592 5.071150 84.01248 4.644075 -12.86656      6.876337 
1 1 1 -14 16 31 o 65.44247 3.794820 212.7408       24.20417 214.8000       35.19374 210.8927       33.34109 65.21342 5.566607 64.70327 5.311089 0.5101471      7.693814 
1 1 1 -14 16 32 o 35.24778 5.556654 63.81215       18.53705 63.42366       24.04307 64.38154       29.10774 34.61111 7.325600 34.52306 8.636198 0.8804703E-01  11.32468 
1 1 1 -14 16 33 o 13.35395 5.925332 -4.627316      15.43615 -12.66508      18.67925 12.68289       27.41214 13.46176 6.188109 21.18550 8.556565 -7.723740      10.55971 
1 1 1 -14 16 34 o 16.98847 6.633919 9.623383       15.95371 19.70631       19.65502 -9.848005      27.31359 20.89680 7.524888 17.26105 7.754447 3.635742       10.80534 
1 1 1 -14 16 35 o 78.56202 3.492923 306.5424       26.79296 336.5619       38.00981 276.8955       37.77323 81.82043 4.766641 73.97684 5.250659 7.843582       7.091564 
1 1 1 -14 16 36 o 84.24243 3.452632 352.6804       28.40966 367.2474       39.94728 337.7729       40.41140 85.37016 4.799848 81.72261 5.076982 3.647552       6.986722 
1 1 1 -14 16 37 o 67.92726 3.746536 230.5643       24.81389 265.0254       34.27641 192.6157       35.96904 72.34160 4.868978 61.02657 6.103279 11.31503       7.807494 
1 1 1 -14 16 38 o 17.60182 6.987976 10.14028       17.96194 26.15442       21.88495 -22.91163      31.44068 22.85183 7.967732 16.77833 7.821576 6.073507       11.16521 
1 1 1 -14 16 39 o 35.89804 5.935371 68.05643       20.12751 79.68322       25.43601 48.58262       32.91884 38.38825 7.028228 29.36504 9.781249 9.023212       12.04445 
1 1 1 -14 16 40 o 41.62411 5.989878 91.37133       23.70269 70.10824       27.53552 152.2000       46.57300 35.33971 8.129590 51.40498 9.609198 -16.06527      12.58677 
1 1 1 -14 16 41 o 26.19182 9.019141 37.51763       28.00329 37.87000       58.02923 37.41066       31.97247 29.18456 12.18566 26.46176 9.588121 2.722801       15.50556 
1 1 1 -14 16 42 o 15.31679 6.849524 -5.242271      21.04612 -2.760943      23.57310 -14.99000      46.72253 16.61754 7.350465 21.28393 9.784909 -4.666391      12.23821 
1 1 1 -14 16 43 o 36.20179 6.578836 71.14793       22.45387 73.81000       30.36376 67.93537       33.35587 35.64185 8.765329 33.70554 9.630537 1.936310       13.02222 
1 1 1 -14 16 44 o 34.53004 7.895288 67.83462       26.10287 83.21000       31.82508 36.23000       45.62803 37.76125 8.777459 27.20804 11.02119 10.55321       14.08937 
1 1 1 -14 16 45 o 44.99711 5.823456 107.6461       25.04813 144.8000       37.40546 77.44153       33.72635 50.84232 7.761921 35.79554 9.477806 15.04678       12.25056 
1 1 1 -14 16 46 o 17.13332 7.192519 6.574021       20.38269 15.85230       27.23545 -5.238763      30.73103 20.73168 8.471136 18.17568 8.190145 2.555994       11.78298 
1 1 1 -14 16 47 o 31.61183 8.549008 59.59067       27.08417 22.54000       55.65965 71.08539       31.00212 25.89361 11.38035 34.18961 9.102848 -8.296000      14.57306 
1 1 1 -14 16 48 o 23.37005 8.632632 29.40025       26.10800 -27.24000      52.97801 47.56816       30.00444 20.80412 9.839608 28.00061 9.338512 -7.196493      13.56561 
1 1 1 -14 16 49 o 39.07574 7.398473 86.84008       27.26211 117.8000       53.01372 75.70920       31.78726 40.66764 12.28523 35.12553 9.154084 5.542114       15.32071 
1 1 1 -14 16 50 o 21.37048 8.448011 20.99669       26.14744 32.83000       49.93546 16.52657       30.69132 26.23791 11.14791 21.28284 8.872348 4.955065       14.24761 
1 1 1 -14 16 51 o 66.35164 4.157547 226.0087       26.86623 284.9480       40.16936 178.3042       36.13865 73.12550 5.655962 56.93061 6.607747 16.19488       8.697829 
1 1 1 -14 16 52 o 13.56601 6.358048 -15.86885      21.23872 7.961756       30.14468 -39.35913      29.92865 19.66074 8.511705 14.18682 6.885048 5.473922       10.94774 
1 1 1 -14 16 53 o 24.02384 8.635512 32.98349       25.87174 8.956993       31.79336 80.08000       44.51286 20.12560 8.727064 33.83732 11.37572 -13.71172      14.33767 
1 1 1 -14 16 54 o 43.52341 7.932866 111.3603       32.55075 80.53000       46.06760 142.1000       45.99991 33.41317 11.56520 46.63525 10.34769 -13.22208      15.51865 
1 1 1 -14 16 55 o 39.28309 7.653868 90.90397       28.37187 71.26447       36.49659 120.9000       45.10442 32.33485 10.26611 41.79216 10.91064 -9.457310      14.98116 
1 1 1 -14 16 56 o 41.30832 7.204940 99.05512       28.07343 85.97789       36.95500 116.9000       43.16901 35.53627 10.13134 41.13235 10.64194 -5.596077      14.69336 
1 1 1 -14 17 1  o 64.04274 4.534111 202.3404       28.23913 184.2340       37.09367 227.3000       43.55144 60.85397 6.319270 67.60611 6.667995 -6.752136      9.186693 
1 1 1 -14 17 2  o 249.6268 5.797816 3064.911       141.6648 3188.000       256.2192 3010.715       170.0158 253.0133 10.36772 247.0220 7.038668 5.991272       12.53126 
1 1 1 -14 17 3  o 123.5367 3.322207 748.6763       40.13604 725.9772       59.73242 767.3605       54.19291 121.4609 5.035123 124.9552 4.437845 -3.494270      6.711701 
1 1 1 -14 17 4  o 193.2674 4.817704 1834.463       91.13916 1755.833       111.0167 1997.000       159.6132 188.8024 6.014910 200.8414 8.135969 -12.03900      10.11796 
1 1 1 -14 17 5  o 68.86839 3.891243 233.3950       26.12426 169.3418       35.98177 304.8000       37.99060 58.29551 6.411537 78.61451 4.962367 -20.31900      8.107582 
1 1 1 -14 17 6  o 98.99399 3.202241 480.8804       30.98827 422.3751       45.77959 530.3574       42.09941 92.57707 5.071357 103.8779 4.148786 -11.30087      6.552182 
1 1 1 -14 17 7  o 76.04400 3.252587 284.0027       24.15437 282.4084       37.75496 285.1075       31.42772 75.63367 5.130155 76.10003 4.235833 -0.4663620     6.652876 
1 1 1 -14 17 8  o 150.3949 4.027963 1110.697       59.24251 1162.000       105.5321 1087.090       71.58652 153.3097 7.051366 148.6634 4.926305 4.646317       8.601759 
1 1 1 -14 17 9  o 195.3549 4.751656 1874.839       90.86059 1945.000       161.5750 1842.391       109.8804 198.0285 8.354434 193.3909 5.811271 4.637650       10.17681 
1 1 1 -14 17 10 o 154.9549 4.095563 1179.316       62.06465 1258.000       111.0834 1143.606       74.83481 159.4780 7.134159 152.4524 5.021761 7.025604       8.724351 
1 1 1 -14 17 11 o 82.85099 3.165238 337.0231       25.62187 310.0296       39.67210 356.3395       33.55968 79.24396 5.142384 85.11236 4.039804 -5.868401      6.539429 
1 1 1 -14 17 12 o 109.2570 3.196935 585.8014       34.15245 523.2314       49.74465 641.5912       46.97223 103.0512 4.946031 114.2357 4.208003 -11.18450      6.493883 
1 1 1 -14 17 13 o 127.6079 3.678993 799.6901       45.90491 852.0000       81.93011 775.7544       55.42104 131.2726 6.395468 125.5724 4.516293 5.700165       7.829362 
1 1 1 -14 17 14 o 177.1070 3.932328 1539.957       68.16975 1477.164       96.64435 1602.137       96.17056 173.0658 5.712872 180.3056 5.455399 -7.239792      7.899258 
1 1 1 -14 17 15 o 114.4419 3.222563 642.9134       36.06285 615.1589       52.22911 668.2020       49.85486 111.7382 4.786432 116.5264 4.378752 -4.788124      6.487172 
1 1 1 -14 17 16 o 133.0829 3.381315 869.6194       44.01109 875.7502       64.25303 864.2006       60.40701 133.3089 4.932623 132.4736 4.665848 0.8353119      6.789765 
1 1 1 -14 17 17 o 59.71233 3.474940 175.6073       20.22260 155.8193       29.73035 192.6461       27.58783 55.95450 5.499207 62.41867 4.546582 -6.464172      7.135312 
1 1 1 -14 17 18 o 149.7180 3.567986 1100.767       52.28817 1067.751       74.38851 1133.010       73.51256 147.0926 5.174709 151.5764 4.961459 -4.483795      7.168939 
1 1 1 -14 17 19 o 65.81594 3.328990 213.2277       21.37653 194.3174       31.23561 229.8867       29.31743 62.56266 5.146142 68.20116 4.415382 -5.638493      6.780735 
1 1 1 -14 17 20 o 116.2212 3.267448 663.8414       37.13378 703.4265       55.28406 631.3004       50.12444 119.3671 4.741045 113.1141 4.536370 6.252968       6.561719 
1 1 1 -14 17 21 o 65.01209 3.395537 208.2539       21.53281 228.0060       31.50847 190.9455       29.49513 67.81880 4.777034 62.01200 4.899010 5.806797       6.842540 
1 1 1 -14 17 22 o 35.37983 5.042404 63.07405       16.96861 46.28112       23.01796 83.06325       25.11316 29.85240 7.794591 40.36217 6.583241 -10.50977      10.20268 
1 1 1 -14 17 23 o 66.04428 3.392475 215.1017       21.85750 188.0131       30.29245 244.5224       31.56942 61.43303 5.083087 70.21079 4.619296 -8.777763      6.868454 
1 1 1 -14 17 24 o 119.8258 3.953396 708.7288       46.30543 668.9000       87.61902 724.1639       54.54486 114.9859 7.831542 120.9394 4.616130 -5.953430      9.090749 
1 1 1 -14 17 25 o 130.3110 3.391449 836.6941       43.22186 807.7043       60.98069 865.9598       61.27021 127.5687 4.892690 132.1498 4.744409 -4.581039      6.815265 
1 1 1 -14 17 26 o 129.0248 3.914029 822.6764       49.37431 773.9401       59.77812 927.3000       87.58514 124.7980 4.903142 135.8007 6.608884 -11.00278      8.229104 
1 1 1 -14 17 27 o 77.83768 4.656206 301.6703       35.31333 301.6703       35.31333 0.000000       0.000000 77.83768 4.656206 ?        ?        ?              ?        
1 1 1 -14 17 28 o 41.78584 4.698099 87.82577       18.88322 103.4811       25.52266 68.89174       28.06830 45.06785 5.929352 36.01932 8.151897 9.048527       10.08021 
1 1 1 -14 17 29 o 83.72633 3.388814 346.6123       27.71518 305.7468       38.63522 389.9359       39.78023 78.12566 5.079778 88.43798 4.611318 -10.31232      6.860641 
1 1 1 -14 17 30 o 66.18616 3.857173 217.6951       24.88035 228.6000       37.78721 209.3493       33.05747 67.20062 5.801425 64.47309 5.284567 2.727531       7.847495 
1 1 1 -14 17 31 o 16.60559 6.599501 7.991704       16.03672 3.801279       20.44207 14.69777       25.86008 17.20804 7.212070 21.23440 8.399181 -4.026354      11.07069 
1 1 1 -14 17 32 o 40.96875 4.742956 84.88748       18.66896 41.56375       23.75879 154.8094       30.18340 27.95628 8.170539 55.16630 5.670340 -27.21001      9.945374 
1 1 1 -14 17 33 o 74.78854 3.504469 277.6224       25.58315 276.7210       35.68225 278.5759       36.69927 74.15835 4.943943 74.35415 5.072886 -0.1958008     7.083554 
1 1 1 -14 17 34 o 35.85472 5.579662 66.34785       18.94537 53.72371       25.14199 82.93371       28.81827 31.47645 8.110102 39.35617 7.756731 -7.879728      11.22233 
1 1 1 -14 17 35 o 45.32368 4.567600 103.8779       19.98763 87.81152       26.44691 125.2779       30.52274 40.81125 6.863833 49.05979 6.517169 -8.248539      9.464972 
1 1 1 -14 17 36 o 27.19498 6.972301 39.82836       18.64544 43.68307       24.18463 34.17974       29.27620 28.29344 8.236178 26.02335 9.204262 2.270088       12.35124 
1 1 1 -14 17 37 o 37.71734 5.620323 74.07434       20.11691 72.50474       26.18527 76.33503       31.42549 36.47725 7.581531 36.86761 8.825627 -0.3903656     11.63492 
1 1 1 -14 17 38 o 47.57519 4.765590 115.7402       21.89391 138.0517       28.60190 84.16647       34.02470 51.50745 5.772255 38.34225 9.186406 13.16521       10.84938 
1 1 1 -14 17 39 o 35.20452 6.693238 66.87450       22.22158 65.04690       25.55563 72.54000       44.99507 34.18776 7.808535 34.54682 11.43322 -0.3590584     13.84528 
1 1 1 -14 17 40 o 49.70377 6.413533 131.3233       30.47618 66.30000       60.08489 153.8465       35.36268 33.29377 12.90991 53.52158 6.911279 -20.22781      14.64348 
1 1 1 -14 17 41 o 25.77985 7.764524 37.00392       21.19913 39.18604       23.61347 27.94000       48.12589 26.44040 8.239078 26.59901 11.10100 -0.1586075     13.82442 
1 1 1 -14 17 42 o 13.11182 6.052852 -11.66872      18.14153 -19.43191      22.12679 4.252179       31.68708 13.69546 6.441066 20.03469 8.699889 -6.339231      10.82476 
1 1 1 -14 17 43 o 37.29068 6.262034 75.01264       22.04778 66.88000       29.84272 84.78638       32.71544 33.69524 8.912508 38.01067 8.943348 -4.315430      12.62602 
1 1 1 -14 17 44 o 30.68984 7.489978 53.41721       22.29892 56.58000       31.58609 50.27464       31.48503 30.64541 9.525762 29.05626 9.561703 1.589153       13.49690 
1 1 1 -14 17 45 o 15.04278 6.855434 -8.960576      22.27764 -20.25605      26.03398 21.93000       43.05279 14.90656 7.003119 24.46471 10.37106 -9.558150      12.51409 
1 1 1 -14 17 46 o 15.12081 6.699011 -2.245100      19.65554 19.90033       26.49129 -29.36738      29.31732 21.32129 8.479369 14.97544 7.149957 6.345850       11.09151 
1 1 1 -14 17 47 f 13.82502 6.353858 -10.06295      19.68006 -17.19631      26.82813 -1.752415      28.95727 15.41823 7.199959 18.04388 8.054118 -2.625650      10.80316 
1 1 1 -14 17 48 o 25.57175 7.668745 37.75103       20.71221 15.06019       28.67181 62.51530       29.95316 20.71204 8.600058 31.93206 9.126854 -11.22002      12.54035 
1 1 1 -14 17 49 o 17.61643 7.323332 8.891641       20.82557 16.25154       29.21319 1.286266       29.69637 20.96176 8.690297 18.61815 8.242023 2.343611       11.97715 
1 1 1 -14 17 50 o 40.35966 6.164731 89.04953       23.58258 82.77124       34.27245 94.69514       32.49973 36.32805 9.523712 39.78238 8.597333 -3.454327      12.83025 
1 1 1 -14 17 51 o 30.78715 8.459261 57.21090       26.27393 141.5000       50.89106 26.57970       30.67876 45.70385 11.41140 23.10075 9.144867 22.60310       14.62356 
1 1 1 -14 17 52 o 34.34124 8.269219 70.71361       27.46202 60.96000       52.70428 74.34866       32.17499 29.97714 11.94750 34.37087 9.327523 -4.393728      15.15736 
1 1 1 -14 17 53 o 33.56322 9.109644 70.61084       30.68682 0.000000       0.000000 70.61084       30.68682 ?        ?        33.56322 9.109644 ?              ?        
1 1 1 -14 17 54 o 19.16524 8.017389 12.53210       25.19087 62.78000       51.40653 -3.347122      28.89841 29.72801 11.81543 17.50068 7.908874 12.22733       14.21811 
1 1 1 -14 17 55 o 26.32363 8.598391 43.33104       25.48075 20.79000       50.09789 51.19717       29.59465 23.80156 10.61093 28.07243 9.271687 -4.270870      14.09099 
1 1 1 -14 18 1  o 122.9292 3.717740 741.9508       44.68286 744.8000       83.03265 740.7894       53.01351 122.6810 6.942913 122.7520 4.419376 -0.7106781E-01 8.230123 
1 1 1 -14 18 2  o 132.3475 4.823933 861.7009       62.38729 968.8000       102.7699 799.2000       78.50842 139.8382 7.536003 127.2108 6.324848 12.62739       9.838448 
1 1 1 -14 18 3  o 164.5181 5.227850 1332.055       84.07975 1230.000       117.2733 1440.000       120.6104 157.5852 7.625504 170.6335 7.237715 -13.04836      10.51346 
1 1 1 -14 18 4  o 210.3604 6.176342 2181.515       127.0372 2206.000       183.5473 2159.000       176.0055 210.7158 8.919244 208.5509 8.640715 2.164871       12.41833 
1 1 1 -14 18 5  o 73.88081 3.300247 268.1667       23.80602 223.1367       37.01853 299.9216       31.08663 67.10081 5.689777 78.06618 4.082407 -10.96536      7.002829 
1 1 1 -14 18 6  o 105.5955 3.191473 547.1695       32.94912 517.7130       48.99025 571.4995       44.52355 102.5237 4.895937 107.8134 4.227207 -5.289635      6.468344 
1 1 1 -14 18 7  o 80.71284 3.430758 320.0585       27.04252 300.1000       47.47008 329.6476       32.90366 77.79016 6.287865 81.84678 4.120363 -4.056618      7.517622 
1 1 1 -14 18 8  o 189.3544 4.667020 1761.592       86.50102 1882.000       156.5880 1708.712       103.7716 194.7599 8.232530 186.2287 5.699502 8.531174       10.01293 
1 1 1 -14 18 9  f 205.6311 4.943362 2078.721       99.49872 2168.000       177.8145 2038.024       120.0535 208.8458 8.717483 203.2972 6.039752 5.548645       10.60533 
1 1 1 -14 18 10 o 138.2253 3.446395 937.2184       46.62930 905.7357       68.38226 964.5792       63.74886 135.5957 5.161608 140.0205 4.657786 -4.424789      6.952494 
1 1 1 -14 18 11 o 144.4278 3.520231 1023.424       49.76547 983.4374       72.28017 1059.464       68.62037 141.2708 5.236158 146.7180 4.784589 -5.447205      7.092929 
1 1 1 -14 18 12 o 157.1427 3.678960 1211.954       56.58813 1127.997       80.17825 1295.283       79.87801 151.2576 5.424214 162.1790 5.037944 -10.92146      7.402904 
1 1 1 -14 18 13 o 96.69715 3.172363 459.1153       29.98572 444.5478       45.68993 470.1369       39.74193 94.92777 4.934171 97.73812 4.163657 -2.810349      6.456166 
1 1 1 -14 18 14 o 60.89394 3.319433 182.4755       19.71055 200.7096       31.26683 170.4504       25.39129 63.65427 5.059832 58.71457 4.451234 4.939701       6.739094 
1 1 1 -14 18 15 o 50.98452 3.638670 128.2766       18.03944 124.7605       27.50271 130.9315       23.89852 49.96960 5.726258 51.35617 4.810117 -1.386570      7.478453 
1 1 1 -14 18 16 o 62.61635 3.301507 192.9723       20.16364 177.9152       30.29000 204.9544       27.02061 59.85551 5.222219 64.41293 4.310452 -4.557419      6.771378 
1 1 1 -14 18 17 f 137.9643 3.419434 934.6985       46.17716 919.8456       66.78702 948.3019       63.91626 136.5120 5.006696 138.6762 4.715582 -2.164200      6.877770 
1 1 1 -14 18 18 o 91.71054 3.187344 413.4364       28.56892 385.4957       42.40588 436.6573       38.65872 88.28251 4.926873 94.10439 4.207567 -5.821884      6.479020 
1 1 1 -14 18 19 o 43.64789 4.121221 94.59495       17.39894 84.68938       25.49299 103.2324       23.80526 40.80123 6.609138 45.38043 5.469328 -4.579205      8.578710 
1 1 1 -14 18 20 f 67.11546 3.344441 221.9203       21.90190 227.6069       32.54175 217.2112       29.61293 67.71107 4.943998 66.20261 4.598412 1.508461       6.751926 
1 1 1 -14 18 21 o 82.16871 3.187830 332.3119       25.59076 329.2357       37.03765 335.1220       35.39951 81.52594 4.660739 82.30506 4.410148 -0.7791214     6.416533 
1 1 1 -14 18 22 o 77.84895 3.216913 298.5025       24.46029 285.4894       34.84983 311.1375       34.33996 75.85145 4.717211 79.25701 4.444255 -3.405563      6.481009 
1 1 1 -14 18 23 o 120.0428 3.297768 709.6010       38.71246 715.0603       55.98788 704.5999       53.58642 120.1039 4.771952 119.2749 4.598474 0.8289795      6.627027 
1 1 1 -14 18 24 o 63.74709 3.505560 200.8065       21.78958 188.6218       30.54406 213.4334       31.09352 61.43835 5.125691 65.43753 4.889767 -3.999184      7.083963 
1 1 1 -14 18 25 o 90.95770 4.901273 411.8134       43.47579 375.3000       70.51987 434.2000       55.21775 85.36443 8.554890 92.98242 6.100666 -7.617996      10.50734 
1 1 1 -14 18 26 o 107.9094 4.962699 580.2739       52.27800 460.5000       77.55894 680.0000       70.77096 94.47098 8.477436 116.2397 6.242959 -21.76875      10.52813 
1 1 1 -14 18 27 o 92.99722 3.267812 427.0303       29.70009 404.5678       42.06274 449.3641       41.94207 90.05943 4.788795 95.02235 4.522370 -4.962929      6.586682 
1 1 1 -14 18 28 o 70.25891 4.935605 247.2335       33.72688 0.000000       0.000000 247.2335       33.72688 ?        ?        70.25891 4.935605 ?              ?        
1 1 1 -14 18 29 o 53.24521 4.283573 141.7090       22.13683 140.6000       32.75311 142.6416       30.03555 52.32605 6.537032 52.93679 5.896554 -0.6107445     8.803530 
1 1 1 -14 18 30 f 34.49397 5.503091 61.12800       17.95651 52.74687       24.12111 71.54616       26.89314 31.39739 7.865920 36.66984 7.736177 -5.272449      11.03273 
1 1 1 -14 18 31 o 22.12608 7.017460 24.87097       17.05685 38.54811       22.39553 5.978636       26.32125 26.98621 7.945158 19.56182 8.190132 7.424389       11.41069 
1 1 1 -14 18 32 o 17.45046 6.835169 10.04909       16.97914 4.308186       22.16879 18.19547       26.40791 17.86589 7.500605 22.05414 8.556757 -4.188255      11.37880 
1 1 1 -14 18 33 o 22.67700 7.118419 26.50054       17.59322 38.90935       23.48469 10.63009       26.55916 27.03298 8.178999 20.44262 8.360611 6.590363       11.69598 
1 1 1 -14 18 34 o 34.26942 5.830080 61.13505       18.85666 37.15974       25.31389 91.02428       28.26404 26.55953 8.562196 41.41907 7.234666 -14.85954      11.20944 
1 1 1 -14 18 35 o 40.37598 5.267136 83.79887       20.32054 85.95835       28.31916 81.50689       29.17510 39.97952 7.512379 38.70346 7.966843 1.276062       10.95018 
1 1 1 -14 18 36 o 52.85920 4.318054 141.1678       22.14713 155.5227       29.85540 123.6026       33.02550 54.91562 5.633994 48.10735 7.237462 6.808266       9.171845 
1 1 1 -14 18 37 o 34.92144 6.002327 64.48331       19.77788 68.28912       25.62259 58.87304       31.10936 35.22268 7.651193 32.05941 9.343678 3.163261       12.07663 
1 1 1 -14 18 38 o 21.64350 7.802986 22.79841       21.14207 25.67519       24.25846 13.71000       43.11757 22.89314 8.343436 24.11356 10.30563 -1.220428      13.25968 
1 1 1 -14 18 39 o 46.22799 4.733723 109.6992       21.11758 96.37803       27.12318 130.2042       33.65113 42.29569 6.780473 48.99298 7.234478 -6.697296      9.915265 
1 1 1 -14 18 40 o 19.11230 7.476446 14.30370       20.29274 27.54955       22.50599 -43.28000      46.92540 23.02926 8.076445 18.94571 9.045606 4.083551       12.12650 
1 1 1 -14 18 41 o 23.87198 7.417815 31.27396       19.15531 44.88666       23.97235 7.231095       31.85895 28.08110 8.207223 20.54049 8.820157 7.540602       12.04797 
1 1 1 -14 18 42 o 41.85709 5.679713 92.63354       22.67044 109.3000       31.62982 75.02663       32.50999 44.34799 7.557163 35.53759 9.255630 8.810402       11.94895 
1 1 1 -14 18 43 o 29.43019 7.126610 48.57664       20.30875 41.81614       26.75411 57.76885       31.19688 26.94380 8.811221 31.01544 9.435704 -4.071640      12.91008 
1 1 1 -14 18 44 f 19.85998 7.543331 18.02141       20.22605 14.42264       27.56280 22.22041       29.77276 20.58731 8.479019 22.52831 8.979411 -1.941000      12.35004 
1 1 1 -14 18 45 o 20.54582 7.906498 19.51766       22.41178 33.26000       33.83336 8.772757       29.91686 25.06439 9.696082 19.97742 8.562157 5.086971       12.93540 
1 1 1 -14 18 46 o 29.01745 8.220801 49.80138       24.40829 53.38356       29.33990 41.75000       43.98653 29.56349 9.179416 27.24257 10.89565 2.320919       14.24700 
1 1 1 -14 18 47 o 14.93141 6.664644 -3.463851      19.82641 -4.186749      27.98978 -2.735870      28.08802 17.42073 7.836036 17.65310 7.902236 -0.2323704     11.12874 
1 1 1 -14 18 48 o 22.18406 7.766508 26.95829       20.80598 12.51764       30.11106 40.15239       28.78210 20.46983 8.675254 26.04393 9.133421 -5.574100      12.59680 
1 1 1 -14 18 49 o 17.11193 7.241740 6.464070       20.93177 12.97700       30.13224 0.3902361      29.09878 20.51766 8.686139 18.30119 8.127131 2.216465       11.89535 
1 1 1 -14 18 50 o 24.20844 7.902164 33.85601       21.52312 27.43292       30.76738 40.01144       30.11952 23.26957 9.174801 25.96020 9.319228 -2.690628      13.07765 
1 1 1 -14 18 51 o 18.91859 7.904110 11.28859       24.43728 2.251531       31.07289 25.94000       39.56470 18.97373 8.413532 23.95196 10.03566 -4.978228      13.09588 
1 1 1 -14 18 52 o 41.64960 6.509311 96.34531       25.66904 110.1000       45.07201 89.74247       31.22818 40.11621 11.10191 38.60708 8.494709 1.509136       13.97900 
1 1 1 -14 18 53 o 62.99028 4.332241 205.7847       26.54847 218.8510       40.05433 195.5466       35.45534 62.69904 6.626680 59.73748 6.151409 2.961567       9.041721 
1 1 1 -14 18 54 o 25.52291 7.972664 39.44572       22.09668 41.78028       33.49360 37.64655       29.40328 25.85145 9.732164 24.88026 9.166378 0.9711914      13.36928 
1 1 1 -14 18 55 o 39.27670 6.239083 86.52246       23.18503 135.2988       35.47615 50.15756       30.63184 47.60329 7.889771 27.63635 9.435574 19.96694       12.29953 
1 1 1 -14 19 1  o 156.9332 4.307473 1210.302       66.10477 1159.588       82.06735 1304.000       111.5497 153.4127 5.473934 162.3519 7.036180 -8.939240      8.914695 
1 1 1 -14 19 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 19 3  o 106.1394 3.729457 553.4426       38.68594 513.2437       50.25692 611.9000       60.60501 102.0434 5.047249 111.3596 5.577757 -9.316200      7.522373 
1 1 1 -14 19 4  o 97.73181 3.670752 469.2974       35.05296 428.2325       46.45311 523.6000       53.41818 93.17529 5.112999 103.0270 5.314991 -9.851669      7.375086 
1 1 1 -14 19 5  o 65.15366 3.355527 208.7505       21.32752 161.8057       35.69205 234.8212       26.59831 56.90492 6.525832 69.05293 3.951691 -12.14800      7.629046 
1 1 1 -14 19 6  f 135.1779 3.824538 897.5740       50.55383 898.5000       89.98409 897.1469       61.10943 134.7099 6.846782 135.0314 4.630311 -0.3215027     8.265482 
1 1 1 -14 19 7  o 95.06767 3.429606 443.9408       31.86186 472.0000       58.73748 432.2422       37.92667 97.64135 6.177424 93.72598 4.144323 3.915367       7.438816 
1 1 1 -14 19 8  o 83.96477 3.240307 346.2962       26.58113 318.1535       42.06712 365.0006       34.29510 80.21042 5.389316 86.11645 4.080155 -5.906029      6.759614 
1 1 1 -14 19 9  f 101.6542 3.193143 507.3259       31.73299 479.2314       48.71296 528.0370       41.82490 98.55923 5.066417 103.6026 4.132667 -5.043365      6.538158 
1 1 1 -14 19 10 o 11.47204 5.178476 -6.617287      12.34786 -19.48437      24.62484 -2.295227      14.27180 15.28435 7.054405 13.44643 5.838821 1.837920       9.157317 
1 1 1 -14 19 11 o 33.24438 4.866830 55.51487       15.36789 56.02932       26.90075 55.26563       18.72410 32.94469 8.336574 32.96436 6.024913 -0.1966858E-01 10.28582 
1 1 1 -14 19 12 o 88.21857 3.196183 382.3178       27.55367 352.2707       43.04848 403.1703       35.86207 84.40359 5.236424 90.49380 4.058981 -6.090218      6.625366 
1 1 1 -14 19 13 o 91.41811 3.109863 410.4902       27.78733 397.8330       41.99533 420.3474       37.06019 89.77230 4.796584 92.38803 4.108406 -2.615730      6.315553 
1 1 1 -14 19 14 o 94.24328 3.127486 436.3127       28.81045 439.0684       44.26534 434.2874       37.94845 94.30194 4.811437 93.89272 4.139277 0.4092178      6.346931 
1 1 1 -14 19 15 o 88.76614 3.111055 387.1891       26.98916 420.0878       42.08681 364.2107       35.17363 92.23714 4.676853 85.94487 4.193766 6.292267       6.281769 
1 1 1 -14 19 16 f 81.54381 3.092754 326.8695       24.64080 333.8203       37.56467 321.6200       32.64553 82.17493 4.689655 80.74365 4.144428 1.431282       6.258526 
1 1 1 -14 19 17 o 90.10055 3.138432 399.1020       27.63648 405.9978       41.94910 393.8137       36.73552 90.61716 4.745943 89.34011 4.212679 1.277054       6.345915 
1 1 1 -14 19 18 o 58.13796 3.457975 166.7279       19.58941 200.5451       30.52476 143.0477       25.54330 63.54119 4.946793 53.60594 4.923011 9.935246       6.979026 
1 1 1 -14 19 19 o 109.5322 3.218275 590.1013       34.46671 617.4597       51.60944 568.0757       46.30709 111.7256 4.729922 107.2291 4.421413 4.496452       6.474647 
1 1 1 -14 19 20 f 59.99226 3.449045 177.6399       20.16815 175.6243       29.76783 179.3502       27.42067 59.33776 5.176971 60.06631 4.701239 -0.7285500     6.993044 
1 1 1 -14 19 21 o 73.34492 4.015823 266.0838       28.72041 315.6000       65.84294 254.4488       31.91683 78.46055 8.720520 71.60474 4.577752 6.855804       9.849025 
1 1 1 -14 19 22 o 65.39445 3.424248 211.1431       21.84221 255.1306       32.85589 176.3079       29.23866 71.63696 4.711810 59.41375 5.076222 12.22321       6.925979 
1 1 1 -14 19 23 o 142.1685 5.271681 1006.002       73.23288 965.1000       107.0360 1042.000       100.4147 137.7747 7.970988 143.6879 7.162131 -5.913147      10.71601 
1 1 1 -14 19 24 o 50.78035 6.357063 131.1987       30.90748 165.7000       58.91876 118.1000       36.30355 55.22186 11.28185 47.58956 8.082269 7.632305       13.87815 
1 1 1 -14 19 25 o 103.9170 4.870401 538.1659       49.40234 488.0000       77.63667 572.3000       64.04085 97.33720 8.225500 106.6008 6.163767 -9.263641      10.27866 
1 1 1 -14 19 26 o 96.52707 3.957814 461.9944       37.31544 343.6000       71.15945 506.8996       43.82437 80.92822 9.143011 100.9478 4.446098 -20.01962      10.16673 
1 1 1 -14 19 27 o 86.55753 4.585141 373.6885       38.70898 0.000000       0.000000 373.6885       38.70898 ?        ?        86.55753 4.585141 ?              ?        
1 1 1 -14 19 28 o 67.81840 3.793416 228.4940       25.08129 279.9000       40.81402 197.3012       31.79289 74.44186 5.643303 62.57438 5.238755 11.86747       7.700092 
1 1 1 -14 19 29 f 40.38410 4.722456 82.42697       18.31536 53.26137       24.75317 117.7131       27.22685 31.51487 8.008946 47.97455 5.923720 -16.45968      9.961610 
1 1 1 -14 19 30 o 40.10675 4.801590 81.48650       18.47571 81.29318       25.31927 81.70667       27.02086 39.41727 6.808433 39.34921 7.283663 0.6806183E-01  9.970282 
1 1 1 -14 19 31 o 58.47440 3.791188 170.4053       21.58241 157.8536       30.10029 183.6860       30.96222 55.68009 5.598784 60.21483 5.307449 -4.534744      7.714622 
1 1 1 -14 19 32 f 54.55154 4.125796 149.0702       21.86701 150.9679       30.52384 147.0694       31.34160 54.28948 5.835548 53.46931 6.097227 0.8201637      8.439775 
1 1 1 -14 19 33 o 55.47221 4.122856 154.2904       22.22612 180.9241       31.63385 128.3243       31.23490 59.56810 5.487020 49.63199 6.592294 9.936108       8.577046 
1 1 1 -14 19 34 o 33.62270 6.035456 59.38369       19.13328 50.20074       25.86936 70.47329       28.42841 30.19686 8.431150 35.79982 8.277974 -5.602962      11.81563 
1 1 1 -14 19 35 o 32.52202 6.229912 56.12024       19.11016 69.70988       25.63569 39.12341       28.66982 35.77383 7.558188 27.05758 9.129655 8.716249       11.85229 
1 1 1 -14 19 36 o 26.85443 7.212953 39.44774       19.35997 34.89600       25.38331 45.77800       29.93438 25.56198 8.590315 28.66136 9.316684 -3.099379      12.67257 
1 1 1 -14 19 37 o 58.92818 4.769778 177.4164       27.27737 181.7617       32.42667 166.9000       50.44624 59.14627 5.670410 53.60203 9.982034 5.544243       11.48018 
1 1 1 -14 19 38 o 41.30939 5.240907 88.70892       20.71518 79.18504       26.92825 102.5154       32.42218 37.86960 7.529788 42.91928 8.012223 -5.049675      10.99516 
1 1 1 -14 19 39 o 63.89621 4.535980 208.3031       28.18510 203.9263       32.89102 220.4000       54.68132 62.68376 5.413636 61.98707 9.298738 0.6966858      10.75983 
1 1 1 -14 19 40 o 13.22616 6.121080 -12.58664      18.72516 -12.49847      23.94301 -12.72551      30.04735 15.27097 7.014697 17.24937 7.899166 -1.978397      10.56422 
1 1 1 -14 19 41 f 22.64767 7.818809 27.13408       21.05033 29.82000       29.29476 24.26665       30.26845 24.25806 9.108245 23.20708 9.115335 1.050978       12.88602 
1 1 1 -14 19 42 o 16.15331 6.884144 3.434507       19.14357 22.49673       25.52446 -21.07541      28.94281 21.97371 8.442422 15.83727 7.422410 6.136441       11.24129 
1 1 1 -14 19 43 o 40.66063 5.472489 87.44413       21.22789 113.7124       29.13009 57.69806       30.99850 45.64693 6.720577 30.91444 9.405792 14.73249       11.56006 
1 1 1 -14 19 44 o 19.71265 7.470251 18.06062       19.80869 32.62941       26.85453 0.6735084      29.33726 24.35378 8.792332 18.59576 8.213933 5.758020       12.03220 
1 1 1 -14 19 45 o 45.63446 5.030621 109.3293       22.09850 121.2416       30.55527 96.26500       31.99867 46.79072 6.876419 40.51880 8.346019 6.271919       10.81393 
1 1 1 -14 19 46 o 14.73776 6.678940 -6.696129      20.78174 3.733000       30.68056 -15.53790      28.24938 19.23931 8.452707 16.03263 7.453723 3.206675       11.26970 
1 1 1 -14 19 47 o 51.40584 7.249656 148.3859       35.46676 152.5000       55.81696 145.6000       45.93108 46.88301 12.08617 48.19059 10.06261 -1.307579      15.72678 
1 1 1 -14 19 48 o 15.17894 6.752865 -2.561330      20.18227 -33.68706      28.05181 30.83939       29.05889 14.09581 6.798196 23.85468 9.046043 -9.758870      11.31576 
1 1 1 -14 19 49 o 32.56343 6.948346 60.19816       21.47197 66.56391       30.12700 53.62637       30.61069 32.78074 9.078387 29.29303 9.412893 3.487705       13.07745 
1 1 1 -14 19 50 o 38.42060 6.805764 82.85709       24.65782 87.44302       30.52802 74.25000       41.82281 38.26965 8.382140 32.98425 11.02584 5.285397       13.85025 
1 1 1 -14 19 51 o 51.08192 5.173866 138.4003       25.51318 121.2000       41.21235 149.0883       32.48685 43.58838 9.887419 51.89059 6.541099 -8.302212      11.85525 
1 1 1 -14 19 52 o 34.33450 6.702117 66.76125       21.71551 98.92098       32.14345 39.75927       29.45331 40.54312 8.376940 25.61429 9.213040 14.92883       12.45204 
1 1 1 -14 19 53 f 31.45534 7.118824 57.61840       21.40539 55.49999       31.49403 59.43715       29.18163 29.16398 9.561274 30.48470 9.093344 -1.320717      13.19496 
1 1 1 -14 19 54 o 23.49592 7.822803 32.99087       21.05671 15.54993       31.08648 47.77727       28.62317 20.57520 8.770703 27.20013 9.121893 -6.624928      12.65441 
1 1 1 -14 20 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 20 2  o 104.6081 3.788296 537.8884       38.72557 490.5255       50.73507 604.0000       59.94150 99.69166 5.217440 110.5929 5.555038 -10.90120      7.621032 
1 1 1 -14 20 3  o 98.80001 4.600416 480.9267       44.36764 430.0000       78.09273 505.2000       53.91412 92.59455 8.718887 101.1322 5.466687 -8.537666      10.29095 
1 1 1 -14 20 4  o 148.8572 4.025593 1089.058       58.60126 1041.000       103.5295 1111.715       71.08513 144.8252 7.327013 150.2583 4.839502 -5.433182      8.780997 
1 1 1 -14 20 5  o 129.8014 4.555902 829.3547       57.79446 784.0000       84.12257 869.9000       79.53745 125.7361 6.861121 132.6322 6.143243 -6.896080      9.209475 
1 1 1 -14 20 6  o 153.0033 4.088199 1150.830       61.17159 1100.000       106.5255 1175.838       74.71937 148.8491 7.333992 154.4994 4.947210 -5.650284      8.846600 
1 1 1 -14 20 7  o 22.19941 6.257874 24.98693       14.17990 -2.721361      28.83618 33.82387       16.28485 19.33861 8.348471 25.67163 6.480896 -6.333023      10.56877 
1 1 1 -14 20 8  o 34.00299 4.762834 57.97889       15.41803 31.56718       29.40599 67.99245       18.10639 26.51005 9.236381 36.80453 5.168227 -10.29448      10.58401 
1 1 1 -14 20 9  o 190.5928 4.129272 1785.287       77.03467 1773.173       111.4573 1796.367       106.5924 189.4075 6.019453 190.7352 5.715832 -1.327744      8.300876 
1 1 1 -14 20 10 o 106.4219 3.491659 556.6169       36.32292 574.9000       65.94608 548.6547       43.51931 107.6605 6.285203 105.5553 4.220579 2.105133       7.570803 
1 1 1 -14 20 11 o 147.3094 3.566790 1065.669       51.42973 1005.482       74.40866 1120.723       71.16496 142.6903 5.336897 150.7768 4.828206 -8.086472      7.196808 
1 1 1 -14 20 12 o 123.1416 3.283548 744.9505       39.54274 764.5179       59.61809 729.5808       52.83761 124.4630 4.903229 121.6726 4.444004 2.790405       6.617464 
1 1 1 -14 20 13 o 103.3246 3.126423 524.5220       31.58332 523.4500       47.95341 525.3433       41.97281 102.9555 4.771407 103.2521 4.161534 -0.2966461     6.331247 
1 1 1 -14 20 14 o 11.56059 5.211407 -6.408187      12.45669 -17.55518      22.39270 -1.412955      14.99013 14.56907 6.725275 13.97479 6.025985 0.5942822      9.030051 
1 1 1 -14 20 15 o 56.14674 3.373729 155.4389       18.45581 177.5302       30.40953 142.5570       23.22152 59.72190 5.255549 53.60574 4.466149 6.116158       6.896904 
1 1 1 -14 20 16 o 75.33631 3.161041 279.2843       23.25812 275.1162       35.57325 282.3964       30.73791 74.48657 4.906417 75.60496 4.169682 -1.118385      6.438880 
1 1 1 -14 20 17 o 73.01602 3.224744 262.5152       22.99042 284.6458       35.87016 247.0855       29.95121 75.75309 4.863255 70.65479 4.351902 5.098297       6.526124 
1 1 1 -14 20 18 o 125.4718 3.338240 774.7801       40.96227 778.7092       60.47012 771.4483       55.68418 125.3797 4.936931 124.9024 4.562314 0.4773483      6.722201 
1 1 1 -14 20 19 o 21.57969 6.523220 23.44811       14.94327 49.90905       22.96904 4.028979       19.67682 30.91500 7.636000 17.15092 7.123190 13.76408       10.44262 
1 1 1 -14 20 20 o 26.53589 6.197729 36.50697       15.80530 54.99562       23.70053 21.69938       21.21034 32.42305 7.600872 22.08937 7.832342 10.33367       10.91416 
1 1 1 -14 20 21 o 116.5912 3.292872 669.7936       37.54151 678.3582       55.32633 662.4854       51.10769 116.8787 4.846561 115.6080 4.525137 1.270699       6.630688 
1 1 1 -14 20 22 o 97.51956 3.212420 468.7796       30.62225 472.4178       44.75999 465.5785       41.98582 97.50216 4.703841 96.87222 4.439697 0.6299362      6.468155 
1 1 1 -14 20 23 o 85.23063 3.757540 359.4556       31.27065 336.0229       39.33467 399.7000       51.54871 82.07820 4.918564 89.17198 5.939723 -7.093781      7.711847 
1 1 1 -14 20 24 o 45.24103 4.304370 102.3668       18.83171 92.75816       26.14748 112.7222       27.14463 42.45982 6.497724 47.03312 6.035133 -4.573303      8.868103 
1 1 1 -14 20 25 o 86.04440 3.987891 367.4324       33.49572 275.8000       67.59393 397.2581       38.56363 71.97219 9.853229 89.33491 4.423883 -17.36272      10.80078 
1 1 1 -14 20 26 o 22.60969 7.130153 25.89107       17.63165 12.65000       25.46598 38.08245       24.43574 20.73546 8.291298 27.05902 8.373117 -6.323566      11.78366 
1 1 1 -14 20 27 o 49.33261 4.150779 121.6782       19.85760 62.05830       27.48847 186.7491       28.71760 33.97400 8.330901 60.97930 4.851229 -27.00530      9.640453 
1 1 1 -14 20 28 o 77.41348 3.347158 296.8114       25.30297 317.0918       37.09259 279.1605       34.60444 79.53561 4.786674 74.61894 4.762658 4.916664       6.752419 
1 1 1 -14 20 29 o 69.62199 3.446701 240.4733       23.41553 239.0249       33.46501 241.8625       32.77490 68.90458 4.995697 69.36653 4.857795 -0.4619522     6.968153 
1 1 1 -14 20 30 o 64.69389 4.228648 209.3621       26.63079 178.7006       32.00268 278.4000       48.02129 59.26532 5.582458 73.48592 6.751506 -14.22060      8.760518 
1 1 1 -14 20 31 o 44.99227 4.621192 102.3293       20.06259 125.1814       28.56938 80.09559       28.18020 49.29082 6.048065 38.65289 7.718668 10.63794       9.805964 
1 1 1 -14 20 32 o 84.53081 3.469611 355.1072       28.64692 343.9309       41.11178 365.6551       39.93937 82.45487 5.119069 85.18886 4.809275 -2.733986      7.023816 
1 1 1 -14 20 33 o 30.79018 6.357937 50.35831       18.52677 43.38333       25.42778 58.25101       27.04892 28.20375 8.505763 32.45960 8.436834 -4.255848      11.98032 
1 1 1 -14 20 34 o 54.82895 4.073765 151.3261       21.70691 161.9839       30.69484 140.6636       30.70156 56.02878 5.675086 51.94065 6.158450 4.088127       8.374551 
1 1 1 -14 20 35 o 44.29920 4.839997 100.5591       20.64578 114.4102       28.54265 85.35966       29.89967 46.52776 6.439684 39.27994 8.047403 7.247826       10.30681 
1 1 1 -14 20 36 o 18.14768 7.807108 2.872869       25.04833 -6.577000      55.95661 5.240952       28.01155 24.16468 10.95445 19.41322 8.301876 4.751457       13.74486 
1 1 1 -14 20 37 o 12.64154 5.843618 -11.67266      16.99203 -14.63183      21.04291 -6.127342      28.80611 13.93765 6.463731 17.83334 7.991282 -3.895690      10.27815 
1 1 1 -14 20 38 o 38.86538 6.124388 80.52861       22.52835 84.26991       25.71804 68.19000       46.70464 39.34681 6.930706 33.23448 11.63614 6.112328       13.54380 
1 1 1 -14 20 39 o 21.87071 7.348784 25.23229       18.57642 29.47735       23.57460 18.27904       30.17146 23.60910 8.266989 22.08021 8.955528 1.528893       12.18789 
1 1 1 -14 20 40 o 19.02848 7.395266 14.81626       19.75086 1.100000       26.54540 31.82615       29.56120 18.10464 7.910679 24.73940 9.177139 -6.634766      12.11605 
1 1 1 -14 20 41 o 24.21869 7.437036 32.68738       19.32190 37.54748       25.27231 25.84953       29.97657 25.77033 8.569904 23.38510 9.104427 2.385229       12.50335 
1 1 1 -14 20 42 o 29.00150 6.981080 47.16838       19.57774 65.81231       25.84532 22.06765       29.98860 33.81982 7.943472 22.52255 9.000299 11.29727       12.00434 
1 1 1 -14 20 43 o 22.70225 7.374256 28.50257       18.75545 17.30943       24.45154 44.50095       29.23265 20.44516 8.141327 27.42256 9.218710 -6.977400      12.29902 
1 1 1 -14 20 44 f 23.06859 7.408884 29.89516       18.96585 11.82307       24.92397 54.75394       29.23162 19.30131 8.016642 29.92887 9.139343 -10.62757      12.15706 
1 1 1 -14 20 45 o 18.95754 7.258622 16.40415       18.82430 16.50194       25.11820 16.27886       28.43184 20.23989 8.184953 20.83280 8.599046 -0.5929089     11.87169 
1 1 1 -14 20 46 o 27.77637 7.162984 44.21577       19.60100 35.12977       26.54595 55.10800       29.06501 24.76648 8.764120 29.95741 9.106336 -5.190929      12.63864 
1 1 1 -14 20 47 o 33.17295 7.159635 62.85806       22.56522 87.22000       34.48420 44.61486       29.84109 37.38644 9.426790 27.08689 9.311041 10.29956       13.24990 
1 1 1 -14 20 48 o 48.80910 5.571749 127.5460       26.14317 134.7328       31.91929 112.9000       45.56647 49.18775 6.812296 40.83420 11.10798 8.353550       13.03052 
1 1 1 -14 20 49 o 44.14139 5.811297 105.3657       24.49945 135.2474       30.45265 50.54000       41.24907 49.58273 6.425606 28.26984 10.76421 21.31288       12.53621 
1 1 1 -14 20 50 o 37.86290 6.334948 79.49237       22.64935 96.32000       35.17445 67.57317       29.60325 39.24237 9.300294 32.95733 8.948275 6.285034       12.90609 
1 1 1 -14 20 51 o 16.51485 6.981855 6.163897       19.42325 10.14649       27.64643 2.282128       27.29422 19.36075 8.262646 17.99262 7.936196 1.368132       11.45664 
1 1 1 -14 20 52 o 28.08060 7.294695 46.41539       20.22844 57.69776       29.38003 36.24652       27.89255 30.03848 9.160495 24.62733 8.950890 5.411154       12.80754 
1 1 1 -14 20 53 o 20.31696 7.499303 22.17477       19.69654 -8.442963      28.20625 51.31399       27.51679 16.52290 7.598509 28.30626 8.904822 -11.78336      11.70612 
1 1 1 -14 20 54 o 12.95283 6.200018 -22.76620      22.34700 -20.14250      27.21245 -28.20000      39.16174 14.81634 7.020730 17.14751 8.207777 -2.331177      10.80085 
1 1 1 -14 21 1  o 83.24859 4.793082 342.2229       38.89180 340.2000       64.12516 343.4000       48.91529 82.33852 8.059555 83.17416 6.049637 -0.8356323     10.07743 
1 1 1 -14 21 2  o 71.38137 3.736094 250.9161       26.01324 127.2000       59.73788 279.8647       28.89686 49.11481 12.42022 75.37363 3.930320 -26.25882      13.02725 
1 1 1 -14 21 3  o 110.0086 4.215166 595.7911       45.30472 0.000000       0.000000 595.7911       45.30472 ?        ?        110.0086 4.215166 ?              ?        
1 1 1 -14 21 4  o 91.72441 3.465184 413.6056       31.05531 490.5000       62.20000 388.0722       35.84243 99.38771 6.428167 88.75825 4.136937 10.62946       7.644317 
1 1 1 -14 21 5  o 68.92460 3.605671 233.9161       24.24117 130.5000       46.16669 273.2824       28.48373 50.21994 9.743323 74.47499 3.921147 -24.25505      10.50275 
1 1 1 -14 21 6  o 101.8806 3.552192 510.3091       35.36954 434.5000       63.15044 544.9597       42.69436 93.37576 6.959379 105.2007 4.154325 -11.82491      8.105022 
1 1 1 -14 21 7  o 128.7671 3.937144 815.6897       49.56578 776.2188       63.36817 877.9000       79.55433 125.3741 5.174778 133.1145 6.122047 -7.740425      8.016095 
1 1 1 -14 21 8  o 81.17262 3.242030 323.9485       25.70741 284.5487       40.88129 349.7185       33.06239 75.72076 5.554381 84.24403 4.021096 -8.523270      6.857140 
1 1 1 -14 21 9  o 101.0994 3.209156 502.2628       31.71723 487.7436       48.94420 512.7742       41.64465 99.32874 5.050658 102.0106 4.179541 -2.681808      6.555739 
1 1 1 -14 21 10 o 55.14727 3.493052 149.9955       18.75849 175.0949       32.89488 137.9001       22.83534 59.24237 5.744720 52.73382 4.465924 6.508553       7.276420 
1 1 1 -14 21 11 o 90.73126 3.108247 404.6243       27.56366 448.8764       44.85680 377.7788       34.93797 95.29090 4.824877 87.52703 4.089323 7.763870       6.324713 
1 1 1 -14 21 12 o 85.74444 3.116303 361.4782       26.11133 353.2293       41.12267 367.0506       33.79917 84.45471 4.996853 86.27444 4.013371 -1.819725      6.409032 
1 1 1 -14 21 13 f 23.67966 5.863628 28.87111       13.51864 43.30651       25.30546 23.10615       15.99183 29.05349 8.415380 21.64215 6.785745 7.411335       10.81041 
1 1 1 -14 21 14 o 112.3892 3.213562 621.1631       35.31598 633.6163       53.80113 611.7346       46.81345 113.1633 4.868517 111.3211 4.304337 1.842247       6.498444 
1 1 1 -14 21 15 o 53.87264 3.487020 143.3394       18.28898 171.4165       30.92434 128.2365       22.68062 58.57997 5.455911 50.76214 4.615063 7.817825       7.146032 
1 1 1 -14 21 16 o 44.68529 3.998347 99.18746       17.30383 78.08691       28.45323 111.5717       21.79813 38.78206 7.766438 47.27406 4.776185 -8.491997      9.117537 
1 1 1 -14 21 17 o 15.20069 6.120261 5.399154       13.97653 26.20713       23.15648 -6.525016      17.52958 23.76645 8.200829 14.09200 6.279866 9.674445       10.32910 
1 1 1 -14 21 18 o 69.07146 3.290365 235.3067       22.18188 272.2833       35.30775 211.1962       28.51081 73.97935 4.903558 65.20542 4.494534 8.773926       6.651745 
1 1 1 -14 21 19 o 30.41568 5.479702 47.36333       15.71406 40.12014       24.88046 52.16996       20.26812 27.91420 8.412688 31.68476 6.742426 -3.770559      10.78117 
1 1 1 -14 21 20 o 95.45946 3.213786 449.1704       29.98627 496.1220       46.30759 415.2665       39.35068 99.91809 4.748389 91.49337 4.406922 8.424721       6.478284 
1 1 1 -14 21 21 o 31.97310 5.611227 52.43656       16.92078 53.08663       25.09024 51.89426       22.91642 31.68929 8.068694 31.39610 7.550009 0.2931862      11.05018 
1 1 1 -14 21 22 o 102.6245 3.781736 521.2230       37.92321 511.8006       48.40408 536.2000       61.02593 101.3127 4.895524 103.1999 6.068059 -1.887154      7.796634 
1 1 1 -14 21 23 o 69.99451 3.445579 242.4516       23.53400 202.1488       33.55736 281.4586       33.01350 63.35228 5.464891 75.14218 4.509249 -11.78991      7.085080 
1 1 1 -14 21 24 o 73.48545 4.130703 268.6178       29.59237 216.6000       63.91299 282.8123       33.38667 63.09809 10.73215 75.27950 4.552233 -12.18140      11.65769 
1 1 1 -14 21 25 o 103.2726 4.531912 531.7962       45.69978 0.000000       0.000000 531.7962       45.69978 ?        ?        103.2726 4.531912 ?              ?        
1 1 1 -14 21 26 o 82.53223 5.503842 343.6575       44.20861 258.7000       70.94020 397.6000       56.52715 68.59521 10.93220 88.24017 6.592263 -19.64496      12.76600 
1 1 1 -14 21 27 o 35.96888 5.160416 66.09594       17.64878 45.21453       24.38947 89.04897       25.57070 29.05767 8.212664 41.40107 6.525783 -12.34340      10.48969 
1 1 1 -14 21 28 o 123.3109 3.441318 753.2860       41.49612 810.9678       62.08792 706.7203       55.78547 127.1033 5.000256 118.7528 4.809174 8.350525       6.937630 
1 1 1 -14 21 29 o 59.48722 4.874316 178.5312       28.13335 46.88000       61.86093 212.8608       31.58915 32.64969 12.96628 64.93521 5.008625 -32.28552      13.90002 
1 1 1 -14 21 30 o 32.84914 5.882286 56.27950       18.21910 53.04034       25.50005 59.65725       26.03983 31.21368 8.230304 33.12640 8.099552 -1.912720      11.54732 
1 1 1 -14 21 31 o 34.30769 5.669844 61.16150       18.37558 39.11827       25.49686 84.98509       26.50652 27.08142 8.578591 40.04005 7.018941 -12.95864      11.08412 
1 1 1 -14 21 32 f 34.79262 5.770936 63.21047       18.96519 53.97505       26.25131 73.29321       27.42910 31.25069 8.401539 36.65928 7.878718 -5.408596      11.51781 
1 1 1 -14 21 33 o 46.15291 4.630578 108.4062       20.63668 95.23787       29.60927 120.8454       28.77783 41.97594 7.480795 48.02579 6.271454 -6.049847      9.761835 
1 1 1 -14 21 34 o 71.40361 4.331495 257.7076       30.13121 250.4086       36.66165 272.9000       52.89231 69.76765 5.410748 71.12782 7.720783 -1.360161      9.427973 
1 1 1 -14 21 35 o 43.09820 6.416477 98.86086       26.24425 120.4000       57.01766 93.07092       29.56191 43.09488 12.67449 41.14345 7.621089 1.951431       14.78931 
1 1 1 -14 21 36 o 67.98659 3.697294 232.3176       24.51184 226.7233       33.95251 238.4073       35.42427 66.26999 5.277752 67.90111 5.373669 -1.631119      7.531998 
1 1 1 -14 21 37 o 22.45842 7.628903 26.54462       20.02069 22.48084       22.95959 39.44000       40.89935 21.72230 8.082092 27.57629 10.66255 -5.853996      13.37947 
1 1 1 -14 21 38 o 25.88325 7.045488 37.18521       18.32452 43.67964       23.55098 27.22111       29.17141 27.71166 8.144545 23.72240 9.047503 3.989264       12.17337 
1 1 1 -14 21 39 o 26.25990 7.282843 38.60008       19.37312 45.40000       26.09610 30.25129       28.91582 28.05742 8.647875 24.30135 9.064495 3.756069       12.52800 
1 1 1 -14 21 40 o 26.83306 7.069962 40.36464       18.82573 48.80144       24.43163 28.03425       29.53601 29.03790 8.224097 23.77296 9.094764 5.264944       12.26175 
1 1 1 -14 21 41 o 26.74663 7.010920 40.23228       18.57465 57.17964       24.11128 15.49150       29.13237 31.51642 7.846425 21.09121 8.704887 10.42521       11.71928 
1 1 1 -14 21 42 o 22.96839 7.190494 29.36430       17.96347 19.07845       23.15530 44.91179       28.46822 20.60283 8.007249 27.53800 9.093456 -6.935175      12.11639 
1 1 1 -14 21 43 o 18.55965 7.045143 15.71313       17.63614 27.50202       22.61590 -2.579811      28.17209 22.56122 8.078203 17.71780 7.923871 4.843420       11.31570 
1 1 1 -14 21 44 o 48.27481 4.463670 120.7614       20.85327 143.2680       28.12784 93.29355       31.07369 51.79299 5.639246 39.83925 8.240574 11.95374       9.985397 
1 1 1 -14 21 45 o 36.97450 5.495366 73.27924       19.28477 75.89525       25.64337 69.87366       29.25835 36.39676 7.449056 33.95968 8.748309 2.437084       11.49005 
1 1 1 -14 21 46 o 28.69657 6.894831 46.94123       19.12465 63.43789       25.58521 26.05264       28.79026 32.71368 8.046618 22.74592 8.903104 9.967764       12.00055 
1 1 1 -14 21 47 o 20.40920 7.339714 21.85717       18.69249 32.10141       24.52680 7.661817       28.87182 23.75229 8.422400 19.31260 8.345493 4.439692       11.85682 
1 1 1 -14 21 48 o 26.99409 7.533479 42.65483       20.65902 68.62000       29.95253 19.09452       28.53175 33.28577 8.985435 21.25250 8.675539 12.03327       12.49012 
1 1 1 -14 21 49 o 49.99543 5.584149 134.3126       26.86098 167.9000       35.87883 91.48000       40.51699 54.79758 6.837512 36.81968 10.64351 17.97790       12.65053 
1 1 1 -14 21 50 o 29.24383 6.818662 48.92099       19.15726 41.81496       26.47404 56.73206       27.75634 26.22604 8.772432 30.21652 8.831222 -3.990479      12.44773 
1 1 1 -14 21 51 o 29.51027 6.833765 50.14453       19.35060 103.1491       27.13125 -4.733975      27.60669 42.78272 6.698429 16.96596 7.692388 25.81676       10.20009 
1 1 1 -14 21 52 o 20.39239 7.283834 22.79780       18.37513 10.92344       25.51986 35.58188       26.47940 18.80783 7.979371 24.27690 8.735097 -5.469074      11.83099 
1 1 1 -14 21 53 o 32.33431 7.423748 62.33245       22.99883 66.28879       27.17689 52.35000       43.16894 32.49051 8.462698 27.55322 10.86648 4.937286       13.77307 
1 1 1 -14 22 1  o 67.18707 3.347585 222.2174       21.94591 164.9095       37.55488 251.9358       27.04403 57.25731 6.835710 71.48155 3.879736 -14.22425      7.859980 
1 1 1 -14 22 2  o 104.5805 4.117118 538.8444       42.06305 0.000000       0.000000 538.8444       42.06305 ?        ?        104.5805 4.117118 ?              ?        
1 1 1 -14 22 3  o 133.7921 4.585137 882.7118       59.95793 0.000000       0.000000 882.7118       59.95793 ?        ?        133.7921 4.585137 ?              ?        
1 1 1 -14 22 4  o 81.61559 3.664750 328.0124       29.20213 272.7000       69.60497 339.8279       32.17027 72.90493 10.01853 83.03192 3.969750 -10.12699      10.77635 
1 1 1 -14 22 5  o 187.0202 4.101535 1720.900       75.08295 1608.647       105.5238 1836.004       106.8553 180.1826 5.991505 192.6283 5.673400 -12.44569      8.251400 
1 1 1 -14 22 6  o 30.30992 5.218363 46.61306       14.92346 10.79191       29.97072 58.42254       17.20849 22.01879 8.927488 33.99454 5.348086 -11.97576      10.40683 
1 1 1 -14 22 7  o 34.72560 4.989076 60.68581       16.47180 6.909000       36.90881 74.06027       18.40648 23.29584 9.721955 38.42462 5.013338 -15.12878      10.93846 
1 1 1 -14 22 8  o 70.14820 3.785085 242.6969       25.89327 217.5174       38.15170 264.2000       35.25663 66.00813 5.969321 73.00323 4.963442 -6.995110      7.763282 
1 1 1 -14 22 9  o 11.62361 5.206573 -5.436528      12.21480 -33.14200      27.39404 1.438836       13.64650 14.76330 7.009703 14.00851 5.883244 0.7547932      9.151420 
1 1 1 -14 22 10 o 49.91707 3.726811 123.2498       18.07786 89.34010       32.10253 138.9966       21.87626 41.53051 8.188223 52.94645 4.256992 -11.41594      9.228704 
1 1 1 -14 22 11 o 117.8989 3.289417 683.7040       37.92365 684.0940       57.86376 683.4103       50.21098 117.5385 5.041166 117.6501 4.367722 -0.1115494     6.670109 
1 1 1 -14 22 12 o 68.39127 3.257473 230.4315       21.74390 230.9429       36.04747 230.1390       27.26206 68.06684 5.456102 68.21687 4.101771 -0.1500244     6.825949 
1 1 1 -14 22 13 o 108.4602 3.217708 578.8429       34.12264 604.4202       53.61768 561.4322       44.23734 110.4243 4.973399 106.6015 4.248054 3.822784       6.540692 
1 1 1 -14 22 14 o 181.8834 4.012504 1631.175       71.43560 1709.953       106.7374 1567.261       96.14173 185.3411 5.891020 177.6066 5.537037 7.734512       8.084732 
1 1 1 -14 22 15 o 82.29755 3.113857 333.5248       25.03847 373.7148       41.26525 310.1061       31.49975 86.74503 4.879644 79.17501 4.078296 7.570023       6.359514 
1 1 1 -14 22 16 o 37.60523 4.436990 70.86084       16.01804 112.6094       28.69904 51.97080       19.30471 47.06462 6.394972 31.69938 6.441571 15.36524       9.076866 
1 1 1 -14 22 17 o 90.95895 3.199544 407.7282       28.44218 419.8359       44.40379 399.3044       37.03752 91.86282 4.956618 89.78286 4.226325 2.079964       6.513823 
1 1 1 -14 22 18 o 100.3763 3.212598 496.6041       31.52349 512.0573       48.49601 485.2971       41.48292 101.4587 4.897733 98.95202 4.293120 2.506706       6.512962 
1 1 1 -14 22 19 o 16.02470 6.376408 7.029488       14.98847 -8.199733      25.13230 15.43611       18.67257 16.90013 7.526059 19.62033 7.290782 -2.720205      10.47841 
1 1 1 -14 22 20 o 70.14398 3.849354 243.9528       26.32791 291.4074       37.13644 196.0000       37.33090 76.35820 4.996091 62.18063 6.216742 14.17757       7.975513 
1 1 1 -14 22 21 o 48.71165 4.532045 118.8530       21.36104 109.1235       29.11259 130.2000       31.43958 46.04926 6.651308 50.41609 6.523702 -4.366829      9.316576 
1 1 1 -14 22 22 o 34.63145 5.466276 61.39774       17.91571 40.17409       26.66051 78.87347       24.19224 27.84426 8.765953 39.02184 6.566709 -11.17758      10.95279 
1 1 1 -14 22 23 o 84.41966 3.607569 353.1133       29.74144 331.2000       49.14491 365.7766       37.35940 80.76096 6.265839 85.64407 4.472018 -4.883110      7.698031 
1 1 1 -14 22 24 o 74.03623 3.704688 272.1079       26.76209 312.1000       45.45396 250.8888       33.10919 78.45100 5.963944 70.73904 4.810326 7.711952       7.662106 
1 1 1 -14 22 25 o 106.3379 3.957653 562.0325       41.12193 533.6000       81.76404 571.6594       47.57695 100.9907 8.345758 106.9816 4.553819 -5.990921      9.507311 
1 1 1 -14 22 26 o 89.84683 5.307456 407.0092       46.46825 326.2000       71.78275 465.3000       60.96624 77.83281 9.627209 95.35679 6.571975 -17.52398      11.65650 
1 1 1 -14 22 27 o 77.74883 3.420993 299.8393       25.97095 252.7442       36.47299 348.2774       36.98938 70.69756 5.309398 83.38885 4.548944 -12.69130      6.991610 
1 1 1 -14 22 28 o 59.13144 3.842645 174.5142       22.12057 185.7165       32.80974 165.1785       29.95169 60.35932 5.617811 56.96994 5.437045 3.389381       7.818008 
1 1 1 -14 22 29 o 27.40669 6.709326 40.05827       17.85128 47.57905       25.17198 32.44897       25.31971 29.58208 8.337314 25.26785 8.579350 4.314238       11.96311 
1 1 1 -14 22 30 o 59.45956 3.798244 176.7345       21.99045 199.8113       32.37219 156.9615       29.96545 62.62137 5.331993 55.33421 5.609931 7.287163       7.739604 
1 1 1 -14 22 31 o 26.61560 6.996067 38.23969       18.46250 17.86239       26.58217 57.23059       25.66197 21.74701 8.542134 32.21214 8.137506 -10.46514      11.79776 
1 1 1 -14 22 32 o 18.38532 7.088879 13.04447       18.04111 -30.52100      25.85964 54.35604       25.18182 14.04269 6.707496 31.27077 8.146727 -17.22808      10.55271 
1 1 1 -14 22 33 o 46.18040 5.563488 110.8499       24.64240 113.0651       29.74248 106.0000       44.00809 46.00617 6.810153 42.11406 10.66606 3.892109       12.65477 
1 1 1 -14 22 34 o 73.89371 3.502733 273.4300       25.26287 292.7968       37.18246 256.8242       34.43024 75.56021 5.056449 70.78271 5.001638 4.777496       7.112247 
1 1 1 -14 22 35 o 12.89814 5.922225 -10.14108      17.04112 5.286510       22.41320 -31.27872      26.23513 17.72917 7.497848 13.99090 6.702481 3.738274       10.05689 
1 1 1 -14 22 36 o 20.78682 7.405179 21.47084       18.98017 18.14537       22.53839 29.58000       35.19533 20.54703 7.923075 25.09044 9.836965 -4.543402      12.63095 
1 1 1 -14 22 37 o 24.96834 6.955828 34.50068       17.62911 47.19912       22.74204 15.38150       27.90545 28.83544 7.848844 21.02918 8.581529 7.806259       11.62957 
1 1 1 -14 22 38 o 27.89923 7.020284 43.39169       19.15296 57.93000       26.03088 26.23058       28.28165 31.67558 8.298051 23.30203 8.903261 8.373552       12.17069 
1 1 1 -14 22 39 o 25.05004 7.101500 35.11385       18.20808 35.77453       23.61374 34.14497       28.59587 25.20179 8.280032 25.04653 9.068763 0.1552639      12.28012 
1 1 1 -14 22 40 o 22.49849 7.653880 27.42483       20.15289 21.70464       22.97257 46.53000       41.98363 21.26806 8.048144 28.33013 10.84192 -7.062065      13.50258 
1 1 1 -14 22 41 o 41.58798 5.609004 92.09024       22.25126 91.31526       25.83026 94.32000       43.81407 40.73367 6.711996 37.89010 11.10147 2.843567       12.97280 
1 1 1 -14 22 42 o 32.69782 6.690547 59.72194       20.69119 49.32874       23.70390 92.99000       42.40909 28.93820 8.067192 37.47673 10.90566 -8.538528      13.56514 
1 1 1 -14 22 43 o 19.90256 7.389038 19.62404       19.17122 2.816888       21.72096 78.87000       40.78132 16.66540 7.220053 34.37058 10.84447 -17.70518      13.02811 
1 1 1 -14 22 44 o 21.33162 7.513730 24.47054       19.49392 22.67979       22.23066 30.43000       40.55443 21.15971 7.936629 24.94207 10.28003 -3.782360      12.98727 
1 1 1 -14 22 45 o 21.71999 7.534455 25.89193       19.55684 26.15751       22.46258 25.06000       39.75622 22.04898 8.029737 23.92752 10.04491 -1.878538      12.85989 
1 1 1 -14 22 46 o 16.30467 6.933571 5.028376       19.34602 14.57889       21.95753 -28.11000      40.90116 19.07716 7.674631 18.04264 8.566315 1.034519       11.50138 
1 1 1 -14 22 47 o 37.69449 6.232896 78.34728       22.19413 86.77907       25.75746 54.04000       43.73321 39.18387 6.971191 28.85212 11.05954 10.33176       13.07329 
1 1 1 -14 22 48 f 14.61168 6.666333 -7.771001      21.14018 -23.30000      24.80543 33.44000       40.40933 13.95006 6.636921 25.13743 10.30036 -11.18737      12.25342 
1 1 1 -14 22 49 o 38.00181 6.761343 81.50696       24.22844 80.71000       29.16973 83.28000       43.50856 36.57599 8.334061 34.33289 11.23696 2.243103       13.99021 
1 1 1 -14 22 50 o 29.91696 8.252700 54.75452       24.95076 54.75452       24.95076 0.000000       0.000000 29.91696 8.252700 ?        ?        ?              ?        
1 1 1 -14 22 51 o 24.04784 9.408948 33.33112       32.14408 39.92000       50.93412 28.97000       41.43834 26.21636 11.20251 24.06167 10.18634 2.154684       15.14126 
1 1 1 -14 22 52 o 31.45808 9.710686 67.13024       32.88977 70.50000       49.78186 64.52000       43.81390 30.19641 11.73932 29.57821 11.13191 0.6182003      16.17810 
1 1 1 -14 23 1  o 166.8655 5.407393 1378.689       88.20374 1465.000       133.0415 1311.000       117.8190 170.8646 7.976804 161.8699 7.456089 8.994766       10.91891 
1 1 1 -14 23 2  o 46.86712 4.105338 108.9780       18.64319 61.59000       43.48277 119.6511       20.63615 34.92983 11.21825 49.08797 4.339492 -14.15814      12.02831 
1 1 1 -14 23 3  o 101.8450 3.251905 510.1431       32.37626 469.4706       51.36649 536.9518       41.70305 97.26774 5.416558 104.3420 4.091146 -7.074265      6.787973 
1 1 1 -14 23 4  f 111.1985 3.702750 608.9526       40.24607 575.5000       82.01595 619.5628       46.18963 106.9218 7.892194 112.0608 4.218525 -5.139023      8.948893 
1 1 1 -14 23 5  o 144.2699 4.091635 1026.017       57.72183 906.1000       104.9334 1078.046       69.11871 134.1936 8.025354 147.6913 4.787498 -13.49776      9.344862 
1 1 1 -14 23 6  o 20.58411 6.386302 21.00080       14.20442 1.055175       31.48354 26.09846       15.91642 20.69953 8.825210 22.70674 6.701358 -2.007202      11.08118 
1 1 1 -14 23 7  o 43.80968 3.998703 95.31110       16.95845 70.84852       31.97084 104.8887       20.00465 36.74457 8.968874 45.88952 4.511879 -9.144947      10.03981 
1 1 1 -14 23 8  o 94.61608 3.187927 440.4848       29.48213 445.6500       47.43871 437.2344       37.63205 94.76999 5.133101 94.10281 4.095343 0.6671829      6.566625 
1 1 1 -14 23 9  o 86.18868 3.421726 365.9784       28.80963 382.8000       55.73065 359.8438       33.65535 87.39264 6.562922 85.35094 4.039932 2.041695       7.706686 
1 1 1 -14 23 10 o 71.81844 3.718934 254.6876       26.05427 241.9899       38.71388 265.2000       35.22529 69.57343 5.735728 73.04300 4.956208 -3.469574      7.580407 
1 1 1 -14 23 11 o 123.3338 3.341457 748.9431       40.30175 758.8864       61.56840 741.4883       53.31002 123.6619 5.097390 122.4333 4.455826 1.228630       6.770359 
1 1 1 -14 23 12 o 68.45190 3.300185 231.0879       22.04695 257.0587       38.14322 218.0582       27.01721 71.74312 5.472946 66.33401 4.182292 5.409103       6.888012 
1 1 1 -14 23 13 o 71.95172 3.235760 255.2618       22.73061 248.5195       38.24966 258.9429       28.26255 70.47662 5.590448 72.32777 4.007756 -1.851151      6.878606 
1 1 1 -14 23 14 o 79.77854 3.193222 313.7369       24.88531 343.1906       41.80934 297.5773       30.96842 82.97517 5.173508 77.51316 4.096206 5.462006       6.598794 
1 1 1 -14 23 15 o 88.26209 3.146919 383.9207       27.14379 378.9483       42.88769 387.2436       35.05906 87.21582 5.045322 88.44113 4.060694 -1.225311      6.476458 
1 1 1 -14 23 16 o 30.78965 5.328312 48.47710       15.47723 38.69387       28.94677 52.39360       18.31505 27.83374 9.168604 31.85958 6.095025 -4.025843      11.00966 
1 1 1 -14 23 17 o 54.19337 3.720492 145.6941       19.61597 144.3474       33.19289 146.4169       24.31649 53.21859 6.507195 54.12971 4.633968 -0.9111252     7.988569 
1 1 1 -14 23 18 o 104.1774 3.280060 535.6562       33.40565 521.3027       51.32228 546.2077       44.00322 102.1444 5.149780 104.8864 4.295153 -2.742065      6.705861 
1 1 1 -14 23 19 o 29.45354 6.457853 45.36963       18.10377 66.56802       28.51200 31.05000       23.43376 35.30803 8.376892 24.97079 8.250493 10.33724       11.75768 
1 1 1 -14 23 20 o 69.53935 3.905283 240.1835       26.47530 241.8144       37.14841 238.5000       37.74210 69.27441 5.524223 68.74683 5.658821 0.5275803      7.908179 
1 1 1 -14 23 21 o 75.94436 3.356757 285.4047       24.89128 297.7914       38.62549 276.6072       32.55182 77.01349 5.153565 74.44092 4.488275 2.572571       6.834021 
1 1 1 -14 23 22 o 73.18176 3.697649 265.8431       26.40129 208.2000       43.20261 300.2006       33.35390 63.53304 7.066540 77.55297 4.412018 -14.01993      8.330780 
1 1 1 -14 23 23 o 31.56957 6.428881 52.26373       19.19022 0.9850000      29.69772 89.02551       25.14506 19.74073 8.496739 41.45926 6.402161 -21.71853      10.63871 
1 1 1 -14 23 24 o 96.90546 3.978801 467.2514       37.66015 374.2000       75.17937 498.4240       43.51342 83.65459 9.340466 99.88194 4.461981 -16.22734      10.35150 
1 1 1 -14 23 25 o 45.25154 4.558677 103.2273       19.91705 105.3010       29.21340 101.4262       27.22548 44.91645 6.862000 44.21121 6.483849 0.7052422      9.440727 
1 1 1 -14 23 26 o 51.00419 4.998252 131.7554       24.63339 107.4288       29.75044 184.8000       43.93121 45.29708 6.929895 59.21840 7.765936 -13.92132      10.40832 
1 1 1 -14 23 27 o 39.18621 5.156111 78.54038       19.29767 36.09278       27.57643 119.2751       27.01431 26.49486 8.953853 48.15824 5.850710 -21.66338      10.69590 
1 1 1 -14 23 28 o 96.66422 4.545109 469.1643       42.88431 0.000000       0.000000 469.1643       42.88431 ?        ?        96.66422 4.545109 ?              ?        
1 1 1 -14 23 29 o 60.49371 4.079439 183.6479       24.01430 208.3000       39.25441 168.9038       30.35776 63.33310 6.420782 57.44027 5.465197 5.892834       8.431774 
1 1 1 -14 23 30 o 52.81160 4.216344 140.6561       21.61487 148.5492       32.66008 134.5047       28.83256 53.30307 6.386786 50.93264 5.891891 2.370434       8.689385 
1 1 1 -14 23 31 o 37.73311 5.449183 74.05473       19.54380 99.86636       29.59273 54.08791       26.02746 43.03388 7.285017 31.08728 8.369151 11.94660       11.09568 
1 1 1 -14 23 32 o 43.57237 4.913010 97.66383       20.58901 127.5478       30.79453 73.50645       27.68723 48.98879 6.588916 36.30712 8.006371 12.68167       10.36898 
1 1 1 -14 23 33 o 24.03903 7.002483 31.50659       17.47674 -3.698775      24.16656 70.10511       25.30438 16.72667 7.418334 35.61075 7.496997 -18.88409      10.54688 
1 1 1 -14 23 34 o 66.31844 4.029761 222.3694       26.03546 241.5012       33.88565 194.8000       40.67719 68.48135 5.091619 60.12695 7.044991 8.354404       8.692324 
1 1 1 -14 23 35 o 32.04162 6.551470 55.93060       19.85354 75.82674       24.39026 16.86000       34.17882 37.22802 6.948807 22.62214 9.391143 14.60588       11.68244 
1 1 1 -14 23 36 o 20.41866 6.985546 21.46539       16.79125 -9.507346      21.75210 67.13628       26.41382 14.86899 6.775404 34.34509 8.005564 -19.47610      10.48786 
1 1 1 -14 23 37 o 16.59666 7.096993 3.316839       20.46860 19.06000       23.39060 -48.15000      42.29209 20.82771 8.060704 17.29451 8.342465 3.533201       11.60050 
1 1 1 -14 23 38 o 22.20975 7.609365 26.36983       19.92582 24.56382       22.56269 32.77000       42.47437 21.99726 8.041939 26.14639 10.61798 -4.149134      13.31970 
1 1 1 -14 23 39 o 38.26271 6.068777 79.01482       21.97138 90.31827       25.42409 45.67000       43.66706 40.61489 6.623236 28.23369 10.98953 12.38119       12.83109 
1 1 1 -14 23 40 o 25.50569 7.405829 37.04268       19.57632 44.39288       22.25960 11.95000       41.12833 27.68587 7.853014 22.68322 9.880056 5.002651       12.62083 
1 1 1 -14 23 41 o 39.58626 5.680414 84.13145       21.38078 73.68038       24.53672 117.1000       43.57990 36.07111 7.201798 42.68220 10.50365 -6.611092      12.73549 
1 1 1 -14 23 42 o 16.37643 6.840947 6.609556       18.30120 4.650272       20.64457 13.80000       39.54896 16.68312 7.130534 22.38626 9.720239 -5.703136      12.05519 
1 1 1 -14 23 43 o 14.86646 6.514563 -0.1937673     18.11739 -0.5578443E-01 20.24055 -0.7499000     40.63488 15.63635 6.867794 20.72346 9.370583 -5.087107      11.61785 
1 1 1 -14 23 44 o 18.66366 7.187594 15.76002       18.53126 21.06308       20.99582 -2.934000      39.42040 20.51103 7.708889 20.18772 9.168533 0.3233109      11.97869 
1 1 1 -14 23 45 o 21.49683 8.740680 20.10632       28.82488 16.77000       49.77245 21.79000       35.35785 24.04212 10.65534 22.77639 9.511110 1.265728       14.28277 
1 1 1 -14 23 46 o 28.23555 7.993926 47.57273       23.08750 131.6000       50.86250 25.76644       25.91066 43.31571 11.71591 22.25871 8.517621 21.05700       14.48491 
1 1 1 -14 23 47 o 22.16689 8.387788 25.96960       24.95159 0.000000       0.000000 25.96960       24.95159 ?        ?        22.16689 8.387788 ?              ?        
1 1 1 -14 23 48 o 37.74525 5.820187 77.83176       20.81294 89.96999       23.86932 39.33000       42.51111 40.32317 6.249644 26.08489 10.61162 14.23828       12.31521 
1 1 1 -14 23 49 o 23.47242 7.183701 31.96935       18.04709 26.08109       20.02921 57.38000       41.60810 21.62005 7.616120 29.07615 10.86781 -7.456097      13.27082 
1 1 1 -14 23 50 o 46.33136 5.337124 115.6340       23.76235 123.2000       27.95472 95.93000       45.11256 47.10728 6.214029 36.13247 11.40653 10.97481       12.98935 
1 1 1 -14 23 51 o 23.32955 7.624711 32.51217       20.03528 32.51217       20.03528 0.000000       0.000000 23.32955 7.624711 ?        ?        ?              ?        
1 1 1 -14 24 1  o 23.60354 7.840728 26.77532       21.15598 0.000000       0.000000 26.77532       21.15598 ?        ?        23.60354 7.840728 ?              ?        
1 1 1 -14 24 2  o 84.19199 4.902515 351.8338       40.22657 343.2000       68.39474 356.4000       49.73921 81.95258 8.656843 84.43001 6.058888 -2.477425      10.56651 
1 1 1 -14 24 3  o 32.95479 5.046898 54.96159       15.76225 46.94644       33.77288 57.19364       17.82236 30.58953 9.892312 33.50648 5.633841 -2.916954      11.38411 
1 1 1 -14 24 4  o 77.05626 3.278862 292.5640       24.67422 239.4268       41.20937 322.2601       30.80681 69.08039 6.158978 80.76798 3.908339 -11.68759      7.294390 
1 1 1 -14 24 5  o 61.26623 3.838319 185.6874       22.90239 244.0000       62.59902 176.6759       24.60849 68.56651 9.589003 59.68411 4.239913 8.882397       10.48455 
1 1 1 -14 24 6  o 68.67619 3.778372 233.0988       25.30116 151.0000       61.91169 249.5589       27.72170 52.73235 12.23215 71.02498 4.003727 -18.29263      12.87072 
1 1 1 -14 24 7  o 29.19015 5.471597 43.63583       15.05927 19.17367       34.26355 49.49258       16.76538 24.57141 9.683917 31.08169 5.721406 -6.510279      11.24779 
1 1 1 -14 24 8  o 26.17483 5.872502 35.42466       14.67471 38.12676       31.36215 34.66722       16.60457 28.10599 9.548274 25.84328 6.555179 2.262709       11.58188 
1 1 1 -14 24 9  o 65.81847 3.317390 213.7703       21.30336 202.6261       37.59540 219.0410       25.85484 63.44555 6.130047 66.50650 3.990002 -3.060955      7.314205 
1 1 1 -14 24 10 o 55.45141 3.552305 152.1279       19.17957 143.5882       35.29565 155.7061       22.84709 53.05404 6.964702 55.98390 4.199901 -2.929855      8.133034 
1 1 1 -14 24 11 o 59.49046 3.669514 175.1754       21.26392 191.3000       45.95022 170.7813       23.98682 61.00885 7.878395 58.63291 4.207478 2.375935       8.931516 
1 1 1 -14 24 12 o 28.22367 5.663140 41.06812       15.10051 63.12313       29.80228 33.45000       17.51539 34.49248 8.799855 25.37016 6.880824 9.122322       11.17064 
1 1 1 -14 24 13 f 31.56954 5.045838 50.70669       15.06746 55.05746       30.32803 49.28088       17.36171 32.26404 9.171389 30.90632 5.954990 1.357721       10.93509 
1 1 1 -14 24 14 o 33.87562 4.722807 58.01578       15.23491 47.66210       30.41290 61.48427       17.60276 30.25406 9.337686 34.74453 5.347127 -4.490479      10.76030 
1 1 1 -14 24 15 o 61.30547 3.458220 186.0126       20.66777 211.6559       36.52823 173.9378       25.06579 64.77503 5.823317 59.07814 4.365431 5.696888       7.277912 
1 1 1 -14 24 16 o 46.47744 4.000753 107.7105       18.02383 120.6257       33.44442 102.4242       21.39688 48.23895 7.311974 45.09745 4.927295 3.141502       8.817210 
1 1 1 -14 24 17 o 32.04633 5.441039 52.71398       16.45764 39.30202       30.31969 58.31625       19.59570 27.96610 9.388438 33.54226 6.196672 -5.576155      11.24907 
1 1 1 -14 24 18 o 32.18031 6.086088 53.73536       18.46848 73.22415       31.22576 43.25000       22.90404 36.89087 8.775742 28.57448 7.916478 8.316383       11.81881 
1 1 1 -14 24 19 o 21.59135 6.834834 23.50399       16.18737 17.50007       28.79194 26.27888       19.57387 22.60073 8.886284 22.96897 7.538133 -0.3682423     11.65287 
1 1 1 -14 24 20 o 64.37989 3.564412 205.6903       22.37411 220.5005       36.39390 196.6917       28.36830 65.97819 5.690933 62.64476 4.659763 3.333424       7.355278 
1 1 1 -14 24 21 o 45.92239 4.672022 106.2708       20.70870 92.69000       37.19212 112.3731       24.93088 41.16365 9.433102 46.97394 5.527890 -5.810287      10.93348 
1 1 1 -14 24 22 o 48.81872 4.256566 119.4951       20.13686 104.4289       31.95934 129.4143       25.93177 44.45766 7.618168 50.48967 5.327369 -6.032017      9.296093 
1 1 1 -14 24 23 o 52.66069 4.117202 138.7785       21.05384 125.9425       32.10497 148.4638       27.88769 49.20149 6.851990 54.08485 5.337309 -4.883362      8.685428 
1 1 1 -14 24 24 o 64.60952 3.736333 207.8778       23.52837 240.9860       37.06302 185.5286       30.45115 68.89494 5.542747 60.53806 5.188883 8.356880       7.592533 
1 1 1 -14 24 25 o 81.85921 3.477854 332.8484       27.80317 324.9561       41.12807 339.4906       37.73052 80.12160 5.273559 82.17387 4.710600 -2.052277      7.071081 
1 1 1 -14 24 26 o 94.69958 3.401826 445.2416       31.48185 395.3859       45.82874 489.7908       43.32114 88.32121 5.325855 98.81476 4.490643 -10.49355      6.966391 
1 1 1 -14 24 27 o 60.85500 3.833926 185.1683       22.72131 164.1164       33.38828 203.3267       31.00904 56.33955 6.154429 63.30200 5.046290 -6.962452      7.958772 
1 1 1 -14 24 28 o 73.55297 4.282443 272.0550       30.69839 166.6000       64.08156 303.4640       34.97250 52.21217 12.66917 77.52334 4.629894 -25.31116      13.48866 
1 1 1 -14 24 29 o 38.77064 5.511773 78.07843       20.32844 54.76885       30.32283 97.10655       27.39684 31.14647 9.264273 42.73745 6.774877 -11.59098      11.47718 
1 1 1 -14 24 30 o 23.59699 8.139757 28.70419       22.81221 9.375566       27.92609 67.47000       39.54887 20.20557 8.446218 33.81616 10.68063 -13.61059      13.61670 
1 1 1 -14 24 31 o 38.44140 6.553687 79.28355       23.77625 66.10000       55.36924 82.26414       26.32713 33.28664 12.51696 38.84501 7.188783 -5.558369      14.43443 
1 1 1 -14 24 32 o 50.12106 4.167696 127.5056       20.26184 125.6891       29.62024 129.1030       27.77756 48.63802 6.374971 49.61348 5.831089 -0.9754677     8.639552 
1 1 1 -14 24 33 o 22.69238 7.359703 27.64264       18.68556 25.24096       23.72056 31.57000       30.33312 22.55004 8.245440 24.90997 9.285468 -2.359928      12.41802 
1 1 1 -14 24 34 o 21.30591 7.587050 22.86263       19.92201 28.08548       22.85334 6.331000       40.65871 23.14654 8.136887 22.31727 9.769904 0.8292713      12.71456 
1 1 1 -14 24 35 o 27.89688 7.392557 43.74802       20.50758 46.04179       23.61412 36.71000       41.36393 28.37632 8.101542 26.92801 10.63161 1.448313       13.36660 
1 1 1 -14 24 36 o 17.16295 7.262965 5.264900       21.05287 -2.454000      24.44817 27.41000       41.41022 16.85166 7.468247 25.29002 10.40200 -8.438358      12.80532 
1 1 1 -14 24 37 o 46.96504 5.278563 115.6872       23.84630 90.83256       27.37851 193.8000       48.53637 40.43690 7.180134 57.81819 8.858001 -17.38129      11.40257 
1 1 1 -14 24 38 o 18.03191 7.203059 11.97570       19.20042 12.74870       21.68967 9.176000       41.27813 18.84080 7.610632 22.40514 9.825226 -3.564335      12.42806 
1 1 1 -14 24 39 o 43.33096 5.428335 99.49805       22.51966 115.3558       26.05937 52.73000       44.75252 46.41031 5.867349 29.31246 11.19969 17.09785       12.64353 
1 1 1 -14 24 40 o 28.16091 8.141024 46.88414       23.70351 22.97000       49.39404 54.03905       27.01775 25.02224 10.86387 29.90559 8.705172 -4.883347      13.92134 
1 1 1 -14 24 41 f 19.19211 7.839958 13.45607       23.32039 28.52000       49.94659 9.256618       26.37138 25.63845 11.02693 19.07419 8.102646 6.564260       13.68379 
1 1 1 -14 24 42 o 13.63107 6.428956 -18.68329      22.32483 -30.09000      48.57433 -15.62855      25.13704 19.56783 9.303320 14.98138 6.987144 4.586449       11.63494 
1 1 1 -14 24 43 o 22.24621 6.815037 27.86732       16.23725 20.72209       20.98014 38.53948       25.64051 20.40947 7.698355 25.49903 8.633762 -5.089565      11.56748 
1 1 1 -14 24 44 o 21.91224 7.193802 26.91892       17.82587 32.29534       21.25975 14.19000       32.71205 23.67676 7.859773 21.11125 8.998087 2.565506       11.94745 
1 1 1 -14 24 45 o 21.27727 7.377268 24.85472       18.74831 32.66330       21.13005 -4.043000      40.64867 23.75507 7.833844 20.21703 9.231412 3.538044       12.10736 
1 1 1 -14 24 46 o 12.73421 5.941649 -12.89067      18.20888 -25.54000      20.51334 34.11000       39.54163 12.12908 5.840534 25.14946 10.23309 -13.02038      11.78253 
1 1 1 -14 24 47 o 22.63430 7.102522 29.36607       17.51625 27.24607       19.40763 38.68000       40.67911 21.97245 7.510273 25.83747 10.42776 -3.865019      12.85077 
1 1 1 -14 24 48 o 46.44325 4.573451 113.0309       20.52142 115.5862       23.13503 103.6000       44.44597 46.55948 5.163086 38.37023 11.16415 8.189251       12.30023 
1 1 1 -14 24 49 o 14.87471 7.154129 -31.19626      30.56519 -6.241000      49.79826 -46.28000      38.71575 21.22696 9.878006 15.87906 7.734561 5.347907       12.54585 
1 1 1 -14 24 50 o 31.43983 9.651357 66.63843       32.54399 40.18000       49.62791 86.60000       43.10636 25.86200 11.05469 34.11086 11.18610 -8.248859      15.72688 
1 1 1 -14 24 51 o 16.88081 8.115682 -31.06000      39.24128 0.000000       0.000000 -31.06000      39.24128 ?        ?        16.88081 8.115682 ?              ?        
1 1 1 -14 25 1  o 31.50499 5.188463 50.52542       15.44366 39.13000       53.34335 51.56795       16.13465 31.58409 12.18645 31.79428 5.375904 -0.2101955     13.31953 
1 1 1 -14 25 2  o 87.89433 3.924427 382.0152       33.67804 372.5000       70.37218 384.8419       38.35552 85.17753 8.556301 88.08755 4.462977 -2.910019      9.650309 
1 1 1 -14 25 3  o 83.97638 3.981115 348.9122       32.63095 336.1000       68.54945 352.6660       37.10448 80.74106 8.816799 84.29858 4.513214 -3.557518      9.904799 
1 1 1 -14 25 4  o 99.13037 3.614292 485.0752       35.01133 524.3000       76.84486 474.8000       39.33065 101.5276 7.792138 97.95061 4.111351 3.576996       8.810256 
1 1 1 -14 25 5  o 40.28229 4.678771 81.43539       18.10530 102.7000       55.00624 78.85168       19.17371 43.30869 12.36483 39.54408 5.070072 3.764610       13.36393 
1 1 1 -14 25 6  o 41.55388 4.506734 86.46059       18.03759 92.86000       54.97220 85.68848       19.09477 41.32657 12.51562 41.30053 4.813498 0.2604294E-01  13.40934 
1 1 1 -14 25 7  o 17.16781 6.320494 11.87523       13.97572 82.43000       53.33801 6.674187       14.48168 39.21235 12.40599 15.73972 6.266151 23.47263       13.89868 
1 1 1 -14 25 8  o 93.33939 3.707664 430.5618       33.80700 296.9000       70.39867 470.6251       38.54201 75.23744 9.791307 97.50268 4.047220 -22.26524      10.59480 
1 1 1 -14 25 9  o 52.29436 3.761604 135.6867       19.12594 129.1124       37.02408 138.0797       22.33717 49.89288 7.839466 52.63094 4.375451 -2.738060      8.977850 
1 1 1 -14 25 10 o 69.13098 3.349779 236.1190       22.59959 222.0259       39.52255 242.9658       27.54762 66.28696 6.161865 69.98055 4.038772 -3.693588      7.367514 
1 1 1 -14 25 11 o 11.71875 5.242076 -5.072287      12.33684 7.393893       30.61391 -7.489215      13.47982 21.28280 8.865861 11.84945 5.373613 9.433348       10.36722 
1 1 1 -14 25 12 o 48.39478 3.985597 116.6493       18.71264 143.8000       43.55713 110.5040       20.72243 52.19537 8.840770 46.96552 4.565238 5.229855       9.949905 
1 1 1 -14 25 13 o 40.88622 4.389487 83.87998       17.29223 40.85942       33.96603 98.93147       20.09077 28.78390 9.932163 44.36664 4.697576 -15.58274      10.98704 
1 1 1 -14 25 14 o 59.43155 3.914829 175.6149       22.64701 182.5914       36.37793 171.2000       28.93884 59.88119 6.300724 58.35399 5.118230 1.527203       8.117599 
1 1 1 -14 25 15 o 66.82610 3.341481 221.0098       21.78769 231.7853       37.58082 215.5542       26.74025 67.73081 5.722053 65.78979 4.173934 1.941017       7.082627 
1 1 1 -14 25 16 o 42.77652 4.646965 92.13953       19.14496 97.02404       32.86237 89.63000       23.55510 42.76876 8.147353 41.82424 5.918942 0.9445152      10.07041 
1 1 1 -14 25 17 o 66.82274 3.965795 222.1905       25.82278 184.1980       37.96489 254.9000       35.22652 59.94166 6.578612 71.22319 5.086397 -11.28153      8.315622 
1 1 1 -14 25 18 o 67.68682 3.503023 227.2538       23.12987 236.6102       39.38372 222.3274       28.57753 68.22938 5.956778 66.69045 4.402413 1.538925       7.407054 
1 1 1 -14 25 19 o 38.33505 4.983865 74.71062       18.25887 68.95062       32.86272 77.28279       21.96047 35.48398 9.337033 38.69342 5.991791 -3.209442      11.09422 
1 1 1 -14 25 20 o 33.88048 5.902092 59.56466       18.86226 71.48000       37.10316 55.41199       21.90390 35.89720 10.12390 32.29360 7.121212 3.603600       12.37760 
1 1 1 -14 25 21 o 47.21629 4.389466 112.0908       20.05429 122.3167       33.67505 106.4713       24.96372 48.25191 7.362797 45.58781 5.720000 2.664101       9.323582 
1 1 1 -14 25 22 o 42.09701 4.827627 89.87065       19.53308 74.52702       32.53715 98.51637       24.42396 36.81644 9.085189 43.76069 5.848256 -6.944256      10.80476 
1 1 1 -14 25 23 o 74.95036 3.575957 279.3572       26.15879 288.7784       41.05337 272.9174       33.94130 75.35126 5.606286 73.64292 4.733664 1.708344       7.337439 
1 1 1 -14 25 24 o 94.22334 3.457179 440.9723       31.83095 358.8470       45.54924 519.3597       44.50061 83.99379 5.571725 101.7686 4.478275 -17.77478      7.148361 
1 1 1 -14 25 25 o 59.54285 4.018160 177.6005       23.28157 136.5395       34.37996 212.3788       31.64059 50.92126 7.089617 64.72812 5.033503 -13.80685      8.694758 
1 1 1 -14 25 26 o 66.34087 3.756633 220.0013       24.29449 214.3214       36.64313 224.4563       32.45248 64.51968 5.866292 66.47005 5.025098 -1.950371      7.724312 
1 1 1 -14 25 27 o 35.83155 6.074794 67.59624       20.54578 64.16466       32.45857 69.89037       26.53930 33.58418 9.468193 35.71157 7.810301 -2.127399      12.27385 
1 1 1 -14 25 28 f 55.21836 4.248724 154.1258       22.78759 135.4743       34.88583 168.0065       30.09529 50.22666 7.310297 57.09594 5.451110 -6.869282      9.118938 
1 1 1 -14 25 29 o 22.10018 8.185543 22.97961       23.50169 32.14320       28.86048 4.942000       40.49117 25.10331 9.107621 22.43002 9.785947 2.673292       13.36838 
1 1 1 -14 25 30 o 22.74846 7.232647 27.73011       18.10949 39.70809       27.20235 18.19593       24.26925 26.75909 8.890901 21.00585 8.188049 5.753239       12.08686 
1 1 1 -14 25 31 o 14.72612 6.345490 0.6881537      16.59918 -5.459524      24.59752 5.828847       22.49296 16.55501 7.403960 17.84484 7.527144 -1.289824      10.55824 
1 1 1 -14 25 32 o 18.62742 7.782057 8.274920       23.68658 8.274920       23.68658 0.000000       0.000000 18.62742 7.782057 ?        ?        ?              ?        
1 1 1 -14 25 33 o 34.28922 6.819983 64.52194       22.08419 61.06256       25.61493 74.54000       43.58994 32.70082 8.055968 34.36034 11.24755 -1.659519      13.83496 
1 1 1 -14 25 34 o 50.15451 5.612762 132.3163       27.08254 120.9000       33.23009 154.9000       46.73751 46.68053 7.528665 51.10416 9.698023 -4.423630      12.27731 
1 1 1 -14 25 35 o 59.49379 5.144020 184.0686       29.66178 165.3000       36.65050 219.7000       50.49882 55.05848 6.955573 62.05751 8.539619 -6.999031      11.01386 
1 1 1 -14 25 36 o 23.29150 7.239732 30.11754       18.24501 37.43336       24.79634 21.48108       26.94163 25.63398 8.487649 21.89478 8.599842 3.739201       12.08294 
1 1 1 -14 25 37 o 18.04208 7.645606 6.875192       23.38374 -14.50000      50.79139 12.62440       26.34142 21.62877 10.03455 19.88677 8.249028 1.742001       12.98995 
1 1 1 -14 25 38 o 25.29669 8.388209 36.88966       24.21629 68.07000       51.70243 28.12706       27.40862 31.86203 12.07004 23.26583 8.793898 8.596201       14.93381 
1 1 1 -14 25 39 o 20.40044 7.032080 22.19916       17.02489 16.59601       22.69920 29.40415       25.74016 19.78043 7.854734 23.26793 8.575708 -3.487501      11.62926 
1 1 1 -14 25 40 o 34.76936 5.457367 64.98151       17.96221 70.67009       24.09830 57.87010       26.94406 35.17088 7.241356 30.88162 8.597912 4.289261       11.24106 
1 1 1 -14 25 41 o 13.53571 6.009830 -2.522446      15.90494 14.16126       20.95097 -25.21587      24.43475 18.77670 7.516268 13.65820 6.522812 5.118505       9.951952 
1 1 1 -14 25 42 o 15.43939 6.338362 6.878181       15.33796 0.2136035      19.91175 16.60286       24.05254 15.53889 6.818796 19.94346 8.029169 -4.404574      10.53392 
1 1 1 -14 25 43 f 36.08527 6.460832 72.54937       21.98244 72.54937       21.98244 0.000000       0.000000 36.08527 6.460832 ?        ?        ?              ?        
1 1 1 -14 25 44 o 21.46020 6.800834 25.83232       16.02281 19.31296       17.42875 61.42000       40.72053 19.42140 7.072989 30.19544 10.83630 -10.77405      12.94035 
1 1 1 -14 25 45 o 32.25574 5.949799 57.34179       18.09328 59.52000       20.04655 47.77000       42.02295 32.52504 6.523918 27.55899 10.76524 4.966045       12.58777 
1 1 1 -14 25 46 o 24.78304 9.405883 35.98388       31.43240 11.92000       49.05135 52.75000       40.94345 23.10580 10.38499 28.27688 10.73430 -5.171087      14.93563 
1 1 1 -14 25 47 o 25.60622 9.560397 39.84006       32.18156 76.67000       52.80667 18.08000       40.58994 31.90581 12.17186 22.67343 9.846112 9.232380       15.65567 
1 1 1 -14 25 48 o 25.18959 9.501067 38.87705       31.95573 51.02000       51.98131 31.50000       40.51600 27.72183 11.55083 24.36648 10.17864 3.355350       15.39566 
1 1 1 -14 25 49 o 15.52272 7.354346 -21.00095      29.83861 14.32000       46.49215 -45.74000      38.90945 22.52432 10.11813 15.85024 7.727924 6.674080       12.73174 
1 1 1 -14 25 50 o 21.48596 8.905327 22.16495       30.66578 16.17000       47.53007 26.44000       40.13715 22.68358 10.20663 23.17976 9.925670 -0.4961796     14.23707 
1 1 1 -14 26 1  o 72.48874 3.272838 259.4680       23.16219 294.5000       65.07005 254.3852       24.78559 75.16438 9.024547 71.71936 3.541621 3.445023       9.694613 
1 1 1 -14 26 2  o 69.87789 3.308638 241.2049       22.56628 208.1000       63.27439 246.0293       24.15466 62.19639 10.78406 70.53427 3.509626 -8.337879      11.34078 
1 1 1 -14 26 3  o 28.46761 7.606528 42.59840       21.59945 17.07000       53.72277 47.52067       23.59008 28.19748 11.74537 30.00861 7.917744 -1.811125      14.16490 
1 1 1 -14 26 4  o 35.84113 6.514265 66.47465       22.01198 110.6000       55.48946 58.23433       23.97940 44.57442 12.31156 33.25229 7.541456 11.32213       14.43773 
1 1 1 -14 26 5  o 75.24911 3.257705 279.6175       23.93808 252.0000       65.61208 283.8581       25.71031 68.89693 10.02290 75.77219 3.475758 -6.875267      10.60846 
1 1 1 -14 26 6  o 67.70901 3.378947 226.6774       22.32336 126.9000       61.22634 241.9750       23.97364 47.44168 12.86373 69.93342 3.513472 -22.49174      13.33492 
1 1 1 -14 26 7  o 71.16806 4.216052 251.8224       29.23795 226.7000       63.70601 258.5261       32.90851 65.03167 10.35494 71.97812 4.696561 -6.946449      11.37025 
1 1 1 -14 26 8  o 136.4101 4.038534 922.2136       53.86393 777.3000       98.28374 984.4240       64.39598 122.8204 8.222691 140.6382 4.684418 -17.81776      9.463425 
1 1 1 -14 26 9  o 35.18748 5.117606 62.98740       17.11005 56.35000       55.82201 63.67564       17.97525 34.20319 12.62492 35.31814 5.368401 -1.114952      13.71890 
1 1 1 -14 26 10 o 81.12004 3.252977 325.1801       25.77708 338.9980       43.86127 317.8895       31.85966 82.11185 5.488709 79.98325 4.082962 2.128609       6.840797 
1 1 1 -14 26 11 o 83.16309 3.298067 341.8922       26.79380 298.3127       44.53643 366.6129       33.54315 76.79361 5.971853 85.92293 3.999278 -9.129318      7.187298 
1 1 1 -14 26 12 o 34.87172 4.691635 61.58680       15.60823 82.56553       33.21218 55.64012       17.68256 39.15665 8.871524 32.85453 5.705368 6.302120       10.54776 
1 1 1 -14 26 13 o 27.87958 5.704014 40.39782       15.04072 31.20023       32.25915 42.95262       17.00180 26.24409 9.612514 28.64495 6.240656 -2.400858      11.46064 
1 1 1 -14 26 14 o 46.47051 4.220747 108.1339       18.98953 84.84000       42.45349 113.9603       21.23199 39.06905 10.76007 47.61354 4.613429 -8.544498      11.70738 
1 1 1 -14 26 15 o 94.37140 3.747766 441.9745       34.55051 455.2516       48.95686 428.8000       48.76730 95.14144 5.277676 92.25816 5.424231 2.883278       7.568100 
1 1 1 -14 26 16 o 25.73647 6.782940 34.99480       17.32508 9.250144       32.58597 45.14000       20.45584 21.92250 9.140796 29.12773 7.212985 -7.205227      11.64394 
1 1 1 -14 26 17 o 63.11008 3.529618 197.8194       21.71695 202.7575       38.38265 195.4942       26.33821 62.90699 6.318962 62.50690 4.331583 0.4000931      7.661063 
1 1 1 -14 26 18 o 34.66271 5.628558 62.03211       18.44254 92.82000       42.42009 54.85638       20.47928 40.62126 10.56915 32.22969 6.710030 8.391575       12.51925 
1 1 1 -14 26 19 o 86.36004 3.664213 370.5919       30.90378 364.0000       59.50497 373.0265       36.16327 83.72823 7.334642 86.40398 4.289311 -2.675751      8.496774 
1 1 1 -14 26 20 o 13.41576 6.252305 -17.01016      20.06787 -16.80000      38.24699 -17.09000      23.57342 19.77792 9.001413 14.85504 6.872473 4.922880       11.32503 
1 1 1 -14 26 21 o 50.90757 4.303758 130.2805       21.24478 116.8261       35.79052 137.6001       26.39857 46.65174 8.133338 51.99796 5.258871 -5.346218      9.685396 
1 1 1 -14 26 22 o 83.80413 3.457752 348.9970       28.30295 312.7997       44.39861 373.7761       36.73455 78.23937 5.839580 86.35266 4.360140 -8.113289      7.287765 
1 1 1 -14 26 23 o 38.29387 5.894250 76.23422       21.38595 34.58641       32.69351 107.3835       28.27415 26.62224 9.688476 45.29575 6.568563 -18.67351      11.70524 
1 1 1 -14 26 24 f 87.32426 3.526529 379.7677       30.08114 384.7850       45.93512 376.0005       39.80309 86.88472 5.428384 86.29747 4.730166 0.5872498      7.200126 
1 1 1 -14 26 25 o 45.30993 4.968867 104.9986       21.67616 53.94512       31.96564 148.4590       29.49288 30.97883 9.575113 53.62345 5.706510 -22.64462      11.14662 
1 1 1 -14 26 26 o 71.83760 4.368517 260.6259       30.57273 243.5000       63.55558 265.7819       34.87255 65.13023 10.31237 72.22623 4.962840 -7.096008      11.44442 
1 1 1 -14 26 27 o 74.54118 4.553773 281.8918       33.06713 223.4790       40.81940 393.4000       56.39832 65.16018 6.486014 86.38078 6.723168 -21.22060      9.341807 
1 1 1 -14 26 28 o 72.57619 4.311229 266.9654       30.48879 183.0000       60.91992 295.0246       35.21653 54.31167 11.79764 76.02728 4.756111 -21.71561      12.72026 
1 1 1 -14 26 29 o 30.11111 6.703851 49.53335       19.25074 16.29678       28.48796 77.46520       26.11578 21.46828 8.704007 37.49367 7.378920 -16.02540      11.41088 
1 1 1 -14 26 30 o 44.90645 4.673942 103.7072       20.24435 111.6252       29.73567 96.86655       27.63885 45.38479 6.911542 42.21649 6.928699 3.168297       9.786535 
1 1 1 -14 26 31 o 36.35043 7.938581 74.76432       27.45309 74.76432       27.45309 0.000000       0.000000 36.35043 7.938581 ?        ?        ?              ?        
1 1 1 -14 26 32 o 33.04577 6.981416 60.46766       21.87354 41.03318       25.35038 117.1000       43.27433 26.80946 8.561061 43.77404 10.27668 -16.96458      13.37542 
1 1 1 -14 26 33 o 34.85327 7.167194 67.59547       23.63414 37.80000       28.02875 140.9000       43.96367 25.96939 9.019319 48.74194 9.556498 -22.77255      13.14058 
1 1 1 -14 26 34 o 29.56845 6.487171 48.19428       18.25832 44.94933       25.91086 51.39468       25.73240 27.76789 8.627063 29.63707 8.455686 -1.869179      12.07994 
1 1 1 -14 26 35 o 16.42484 7.186069 0.2716444      21.96767 22.02000       50.23214 -4.871370      24.42740 25.43208 10.99893 16.38193 7.348495 9.050150       13.22788 
1 1 1 -14 26 36 o 20.11575 7.958014 17.00152       23.21833 36.05000       51.05381 12.03448       26.07035 27.16782 11.39268 19.69292 8.190758 7.474897       14.03145 
1 1 1 -14 26 37 o 16.49667 6.546590 10.00025       15.75848 17.86131       20.22366 -2.149997      25.14267 19.67002 7.525534 16.92133 7.532045 2.748692       10.64732 
1 1 1 -14 26 38 o 20.20348 6.861419 21.91729       16.19497 15.96331       21.56105 29.62498       24.53175 19.37463 7.667503 23.18330 8.398871 -3.808672      11.37241 
1 1 1 -14 26 39 o 21.01622 6.797649 24.41301       15.94695 11.37905       21.28918 41.07571       24.07096 18.22316 7.472800 26.26102 8.337276 -8.037867      11.19611 
1 1 1 -14 26 40 o 38.24048 4.738095 76.87445       17.35599 61.90563       23.20771 95.87062       26.14396 32.68501 7.423738 41.47616 6.665493 -8.791149      9.977008 
1 1 1 -14 26 41 o 24.63220 7.265494 35.10643       18.71337 41.58492       21.09152 11.14000       40.56695 26.56875 7.678979 21.99928 9.690485 4.569466       12.36415 
1 1 1 -14 26 42 o 37.21240 12.44893 104.5000       53.31415 104.5000       53.31415 0.000000       0.000000 37.21240 12.44893 ?        ?        ?              ?        
1 1 1 -14 26 43 o 26.70590 9.593965 44.11431       31.92813 34.71000       49.93003 50.62000       41.52840 26.02341 11.10500 28.05622 10.77139 -2.032814      15.47074 
1 1 1 -14 26 44 o 24.06413 10.13019 27.02000       40.60965 0.000000       0.000000 27.02000       40.60965 ?        ?        24.06413 10.13019 ?              ?        
1 1 1 -14 26 45 o 25.42311 9.462676 39.10671       31.47927 33.45000       48.93537 43.10000       41.11558 25.56147 10.95290 26.51284 10.55724 -0.9513760     15.21254 
1 1 1 -14 26 46 o 22.44556 9.121534 24.54908       31.37170 26.39000       51.60619 23.47000       39.51051 24.90241 10.95095 23.25703 9.900047 1.645378       14.76260 
1 1 1 -14 26 47 o 31.17703 9.707684 64.78928       32.78861 72.96000       52.98996 59.72000       41.73852 30.83608 12.07596 29.17733 10.88899 1.658754       16.26035 
1 1 1 -14 26 48 o 25.00703 9.439669 39.19585       31.55818 52.05000       49.51104 30.40000       40.95617 27.43011 11.33727 23.95889 10.13411 3.471222       15.20638 
1 1 1 -14 26 49 o 23.04451 9.158326 30.48724       30.88286 72.52000       47.91765 0.6226000      40.39059 30.41732 11.59697 20.00315 9.159534 10.41418       14.77791 
1 1 1 -14 27 1  o 104.6356 3.221619 540.6631       32.95657 620.5000       83.66579 526.0002       35.85548 109.7665 7.838618 103.1044 3.558142 6.662125       8.608386 
1 1 1 -14 27 2  o 40.21215 4.333161 81.17970       16.78673 77.02000       56.08809 81.58896       17.59318 37.74322 12.76951 40.26491 4.543099 -2.521694      13.55360 
1 1 1 -14 27 3  o 26.60644 5.886466 36.90591       14.92367 2.055000       54.71265 39.70726       15.51187 26.29971 11.42604 27.60914 5.917767 -1.309433      12.86757 
1 1 1 -14 27 4  o 119.2872 4.001932 705.9544       46.66105 642.2000       88.78310 730.2848       54.84663 111.3841 8.200810 121.0486 4.637544 -9.664528      9.421258 
1 1 1 -14 27 5  o 87.76247 3.992076 382.4856       34.20387 361.6000       70.42198 388.9337       39.12920 83.06593 8.794643 88.31404 4.541781 -5.248108      9.898158 
1 1 1 -14 27 6  o 19.94870 7.701256 14.26945       21.31185 17.81000       53.44868 13.60012       23.23916 27.95938 11.68599 20.32517 7.985960 7.634211       14.15408 
1 1 1 -14 27 7  o 60.14640 3.472658 179.3613       20.35764 150.0000       61.67841 182.9510       21.56623 51.34053 12.41169 60.70751 3.646126 -9.366978      12.93616 
1 1 1 -14 27 8  o 21.16236 6.203468 23.06509       13.67819 -15.09000      56.53661 25.43726       14.09698 24.78819 11.14452 22.13065 6.239918 2.657532       12.77250 
1 1 1 -14 27 9  o 45.39771 4.441663 103.4723       19.48495 144.8000       57.87310 98.18866       20.69306 50.58980 11.88948 44.09840 4.875283 6.491398       12.85022 
1 1 1 -14 27 10 o 20.71915 6.646916 21.46584       15.26839 26.15000       55.08664 21.07604       15.89098 29.24983 12.01045 20.67540 6.792404 8.574427       13.79810 
1 1 1 -14 27 11 o 16.27750 6.091354 10.36790       13.07938 -25.82000      53.69731 12.65031       13.48554 23.03105 10.55167 17.18451 6.226954 5.846535       12.25205 
1 1 1 -14 27 12 o 78.48342 3.215173 304.8012       24.64723 213.4000       65.69831 319.7725       26.58928 61.88062 11.26133 80.34252 3.388686 -18.46191      11.76013 
1 1 1 -14 27 13 o 57.02113 3.533017 161.5833       19.62227 71.58000       59.51751 172.5592       20.78433 36.50161 13.10060 58.91048 3.621947 -22.40887      13.59206 
1 1 1 -14 27 14 o 31.57752 6.688291 52.62827       20.02868 30.10000       56.02007 55.93000       21.44621 29.73260 12.14909 32.49756 6.952310 -2.764957      13.99768 
1 1 1 -14 27 15 o 121.1106 3.844747 729.0880       45.52035 913.1000       95.09894 674.3967       51.84558 132.9154 7.338086 116.1051 4.570920 16.81027       8.645277 
1 1 1 -14 27 16 o 69.61147 3.679179 241.0516       24.98004 241.9000       50.56804 240.7777       28.73024 67.91262 7.745404 69.38528 4.250646 -1.472664      8.835115 
1 1 1 -14 27 17 o 80.98103 4.260746 327.8485       33.65460 380.1000       59.86126 303.7000       40.69508 85.59303 7.212017 77.43874 5.402689 8.154282       9.011229 
1 1 1 -14 27 18 o 48.14025 4.514065 116.8575       21.02260 140.1000       45.48589 110.5441       23.70648 50.44438 9.561937 46.55402 5.296465 3.890362       10.93084 
1 1 1 -14 27 19 o 52.92329 4.098820 140.4667       21.06764 150.4268       37.55157 135.8916       25.45035 53.41188 7.379605 51.71232 5.094049 1.699562       8.967045 
1 1 1 -14 27 20 o 26.57276 6.960350 37.82615       18.31624 24.06641       34.01363 43.44576       21.73705 24.68325 9.672464 28.34258 7.656139 -3.659325      12.33584 
1 1 1 -14 27 21 o 45.35205 4.680695 104.3370       20.48030 125.5052       36.38261 94.51795       24.77911 48.31931 7.970127 42.61792 6.114946 5.701397       10.04567 
1 1 1 -14 27 22 o 30.09150 7.078742 48.90973       20.49891 34.10228       34.08202 57.30243       25.65879 26.56102 9.853724 32.25706 8.130456 -5.696035      12.77498 
1 1 1 -14 27 23 o 36.61253 6.241477 70.74826       21.56634 80.09167       33.82692 64.34959       27.99335 37.60376 9.254025 33.99090 8.449929 3.612854       12.53149 
1 1 1 -14 27 24 o 37.94859 5.941625 75.64611       21.34662 39.57432       33.00876 101.5763       27.98646 27.40761 9.765431 43.68829 6.762820 -16.28068      11.87853 
1 1 1 -14 27 25 o 45.83097 5.193574 108.3770       22.88849 97.02533       37.26229 115.2553       29.00550 41.03703 9.469023 46.61303 6.536613 -5.576004      11.50607 
1 1 1 -14 27 26 f 74.36488 4.700876 281.9063       34.04275 230.2979       42.68526 372.1000       56.42941 65.83063 6.718440 83.56681 6.961854 -17.73618      9.674959 
1 1 1 -14 27 27 o 49.30816 4.673666 124.6462       22.28779 74.61467       33.89308 162.7645       29.58392 35.56262 9.540062 55.95229 5.471569 -20.38967      10.99777 
1 1 1 -14 27 28 o 49.65247 4.480690 126.0724       21.54263 51.76155       31.90450 188.3434       29.20581 29.78358 9.613353 60.47440 4.977949 -30.69081      10.82573 
1 1 1 -14 27 29 o 42.37497 5.822823 95.05759       23.51385 76.95367       30.40432 122.0000       37.09087 36.46730 8.649408 46.30366 8.496639 -9.836353      12.12457 
1 1 1 -14 27 30 o 17.62649 7.738889 -0.2273712     25.67797 -0.2273712     25.67797 0.000000       0.000000 17.62649 7.738889 ?        ?        ?              ?        
1 1 1 -14 27 31 o 41.52551 6.036054 92.17394       23.81644 73.47246       27.78319 144.0000       46.25068 35.81470 8.113919 48.89981 10.00047 -13.08511      12.87809 
1 1 1 -14 27 32 o 20.98310 7.319852 22.82120       18.47188 32.71000       29.00886 16.07697       23.95659 24.74590 9.106789 20.19635 8.053141 4.549545       12.15675 
1 1 1 -14 27 33 o 15.86703 6.924441 0.2889364      20.28494 -22.57000      50.55787 4.674781       22.14560 20.97521 9.823834 17.29876 7.389213 3.676449       12.29261 
1 1 1 -14 27 34 o 54.28720 4.875416 153.2370       25.63126 173.7000       55.55698 147.7038       28.88948 51.88182 11.26365 52.74645 5.685206 -0.8646240     12.61711 
1 1 1 -14 27 35 o 24.87107 6.718322 34.70450       16.73806 22.38579       22.29395 50.61931       25.33991 21.24067 7.951862 29.24691 8.405858 -8.006241      11.57111 
1 1 1 -14 27 36 o 19.66063 7.782932 16.37705       22.22104 -11.14000      47.78915 23.96755       25.09942 21.14394 9.783063 21.92621 8.384998 -0.7822781     12.88474 
1 1 1 -14 27 37 o 17.95803 8.107251 -4.148974      30.27545 -8.053000      47.53814 -1.485000      39.26909 21.23326 9.800612 20.34440 9.204249 0.8888607      13.44508 
1 1 1 -14 27 38 o 16.61817 7.719074 -14.55499      30.19247 -16.87000      49.02036 -13.14000      38.32450 20.63728 9.668055 18.81912 8.726004 1.818157       13.02361 
1 1 1 -14 27 39 o 42.24805 8.483230 106.6328       33.86137 121.1000       53.69393 97.08000       43.63140 40.54915 12.38738 37.62688 11.09286 2.922268       16.62825 
1 1 1 -14 27 40 o 15.74931 7.423391 -20.83294      29.68177 -32.58000      47.66013 -13.39000      37.93697 19.05999 9.104551 18.64330 8.657302 0.4166889      12.56351 
1 1 1 -14 27 41 o 33.69066 12.27687 85.22000       52.52024 85.22000       52.52024 0.000000       0.000000 33.69066 12.27687 ?        ?        ?              ?        
1 1 1 -14 27 42 o 16.81421 7.773993 -11.91852      30.09433 -30.70000      47.33294 0.8254000      38.98972 19.07835 9.102263 20.35296 9.193282 -1.274616      12.93706 
1 1 1 -14 27 43 o 26.48204 10.57555 42.21000       41.37687 0.000000       0.000000 42.21000       41.37687 ?        ?        26.48204 10.57555 ?              ?        
1 1 1 -14 27 44 o 25.46848 9.494967 39.47129       31.71945 46.93000       49.91753 34.42000       41.07925 27.36104 11.35302 25.04525 10.33682 2.315786       15.35385 
1 1 1 -14 27 45 o 31.50991 9.661309 65.22123       32.62337 89.90000       53.41647 50.54000       41.19976 33.91275 12.37759 27.72788 10.70687 6.184862       16.36587 
1 1 1 -14 27 46 o 16.46865 7.677050 -13.81939      30.28695 7.757000       50.21067 -26.16000      37.97299 22.49032 10.26579 17.18972 8.187658 5.300608       13.13104 
1 1 1 -14 27 47 o 25.03118 9.399365 39.49076       31.19882 66.16000       49.47972 21.89000       40.19645 29.48214 11.63167 22.64816 9.816904 6.833981       15.22062 
1 1 1 -14 27 48 o 16.61802 7.711167 -10.24061      30.01365 9.494000       46.61007 -24.22000      39.22922 21.79144 9.925228 17.40948 8.300623 4.381950       12.93872 
1 1 1 -14 28 1  o 22.79812 6.415863 27.10894       14.91791 82.88000       56.63659 22.95120       15.46399 38.54576 12.82957 21.27951 6.672927 17.26625       14.46119 
1 1 1 -14 28 2  o 73.87589 3.299247 270.1774       23.79724 220.6000       65.71928 277.6590       25.52976 63.20659 11.02305 74.84222 3.494576 -11.63562      11.56373 
1 1 1 -14 28 3  o 35.05700 4.851989 62.47964       16.20364 32.54000       57.04612 65.10720       16.89972 30.39793 12.31964 35.77017 4.960017 -5.372240      13.28064 
1 1 1 -14 28 4  o 32.69494 5.065310 54.67422       15.68646 21.19000       56.36276 57.48560       16.33171 28.74800 12.00684 33.52135 5.141213 -4.773352      13.06126 
1 1 1 -14 28 5  o 24.91122 6.101242 32.59290       14.75695 128.7000       56.04493 25.43344       15.29673 47.39957 12.05404 22.17069 6.576399 25.22888       13.73131 
1 1 1 -14 28 6  o 56.14602 4.840049 158.6750       26.34018 84.42000       58.92085 177.2212       29.44641 38.75918 13.08809 59.26123 5.126771 -20.50205      14.05638 
1 1 1 -14 28 7  o 59.38303 4.729287 177.2037       27.26239 164.9000       62.76244 180.0650       30.26691 53.59285 12.23440 59.69121 5.233145 -6.098362      13.30663 
1 1 1 -14 28 8  o 42.61984 4.149383 91.14925       17.09128 27.54000       57.97437 97.20384       17.88620 29.72959 12.27596 44.01112 4.202911 -14.28153      12.97550 
1 1 1 -14 28 9  o 38.90057 4.353923 76.28789       16.29435 -11.12000      55.91211 84.40047       17.03374 24.83871 11.13169 40.94986 4.314389 -16.11115      11.93853 
1 1 1 -14 28 10 o 49.81324 4.280773 124.4639       20.67022 141.8000       57.77217 121.9189       22.13553 49.58884 12.02726 49.19002 4.652632 0.3988152      12.89582 
1 1 1 -14 28 11 o 33.17043 5.614268 56.91832       17.57885 -49.09000      54.92597 69.01585       18.55480 21.25043 10.04115 36.69044 5.321642 -15.44002      11.36418 
1 1 1 -14 28 12 o 21.67612 6.603159 24.25259       15.27123 -106.0000      54.04374 35.55532       15.92003 17.55621 8.668361 25.93388 6.328260 -8.377670      10.73254 
1 1 1 -14 28 13 o 60.24549 3.870854 181.0867       22.70563 146.6000       59.82555 186.8903       24.54187 50.09235 12.29438 61.12864 4.125801 -11.03629      12.96819 
1 1 1 -14 28 14 o 27.75589 5.816588 40.38656       15.29620 53.39000       54.93975 39.29388       15.92591 32.84654 12.44237 27.30015 6.112299 5.546385       13.86264 
1 1 1 -14 28 15 o 56.94412 3.680029 161.6816       20.40209 81.41000       64.09007 170.7333       21.52168 37.83067 13.59245 58.49358 3.779133 -20.66291      14.10803 
1 1 1 -14 28 16 o 44.32964 4.444096 99.23882       19.02363 0.000000       0.000000 99.23882       19.02363 ?        ?        44.32964 4.444096 ?              ?        
1 1 1 -14 28 17 o 52.95369 3.885724 140.3597       20.00046 15.69000       61.46715 155.1221       21.15148 28.35212 12.21380 55.67585 3.905998 -27.32373      12.82317 
1 1 1 -14 28 18 o 39.55996 4.970177 79.97420       18.82198 0.000000       0.000000 79.97420       18.82198 ?        ?        39.55996 4.970177 ?              ?        
1 1 1 -14 28 19 o 34.19579 6.155128 61.52490       19.84479 56.23000       58.89553 62.20304       21.07733 33.10147 12.79613 34.25200 6.524901 -1.150524      14.36368 
1 1 1 -14 28 20 o 70.18819 3.527670 245.7319       24.15815 197.9000       64.83621 253.4431       26.03274 57.69656 11.87657 71.19758 3.748707 -13.50102      12.45415 
1 1 1 -14 28 21 o 42.37596 4.797441 91.79069       19.54958 53.08000       58.89754 96.58367       20.72454 32.21072 12.69592 43.41636 4.965923 -11.20564      13.63257 
1 1 1 -14 28 22 o 29.93792 6.690073 48.44242       19.11043 41.00000       57.74368 49.35785       20.25167 30.18145 12.33378 30.11442 7.003189 0.6702805E-01  14.18333 
1 1 1 -14 28 23 o 50.75027 4.409192 130.8716       21.68584 143.7000       60.33856 128.9688       23.23859 47.41319 12.73331 50.21482 4.785744 -2.801632      13.60296 
1 1 1 -14 28 24 o 65.37195 6.308238 225.1234       39.86430 159.8000       61.48431 272.5000       52.36143 49.86489 12.59527 70.81343 7.676873 -20.94854      14.75043 
1 1 1 -14 28 25 o 33.06410 7.743921 61.29539       24.61961 61.87000       52.84435 61.13610       27.82370 32.25032 12.20591 32.61877 8.595372 -0.3684502     14.92865 
1 1 1 -14 28 26 o 41.75031 6.403097 93.44702       25.33349 34.12000       53.50541 110.5900       28.76167 28.04550 11.70487 45.31189 6.685365 -17.26639      13.47954 
1 1 1 -14 28 27 o 36.51772 6.158498 71.56194       21.23103 44.46000       53.78308 76.56482       23.10766 29.33823 11.93557 37.61342 6.512063 -8.275190      13.59650 
1 1 1 -14 28 28 f 30.02048 7.766712 51.20869       22.99413 7.657000       54.26349 60.74056       25.38601 24.77733 11.04478 32.60354 8.012664 -7.826212      13.64514 
1 1 1 -14 28 29 o 32.31871 8.431720 60.79114       26.94913 39.15000       54.41198 67.82522       31.02116 28.36763 11.81869 33.73418 9.160431 -5.366552      14.95309 
1 1 1 -14 28 30 o 40.69259 7.384016 92.30198       28.32845 65.27000       56.20504 101.5076       32.79925 32.11185 12.47656 42.10614 8.253346 -9.994286      14.95936 
1 1 1 -14 28 31 o 33.70794 6.793961 62.93008       21.64098 0.000000       0.000000 62.93008       21.64098 ?        ?        33.70794 6.793961 ?              ?        
1 1 1 -14 28 32 o 30.32555 7.524084 52.59776       22.22683 6.771000       52.76783 62.48240       24.50699 24.02717 10.78743 32.99273 7.725498 -8.965557      13.26846 
1 1 1 -14 28 33 o 21.72241 7.725438 24.97915       20.64918 59.33000       50.16552 17.97174       22.65767 30.46518 11.80085 20.19872 7.900490 10.26645       14.20133 
1 1 1 -14 28 34 o 21.11729 7.164859 24.06028       17.65866 -3.852000      48.13242 28.40156       18.98230 21.97109 10.03729 22.59741 7.423731 -0.6263199     12.48435 
1 1 1 -14 28 35 o 27.40940 9.600178 45.85218       31.79258 9.697000       48.27676 73.54000       42.24713 23.22673 10.38126 32.98660 11.08237 -9.759872      15.18517 
1 1 1 -14 28 36 o 17.94995 8.117244 -4.486903      30.50027 -10.77000      47.91066 -0.2054000     39.54972 21.01151 9.747369 20.51527 9.263535 0.4962330      13.44709 
1 1 1 -14 28 37 o 32.11959 9.623441 66.22030       32.62797 55.51000       51.52562 73.39000       42.15733 29.07237 11.73499 32.59397 11.07031 -3.521603      16.13263 
1 1 1 -14 28 38 o 30.94633 9.541361 61.04807       31.76403 69.79000       50.59251 55.36000       40.80986 31.38328 11.92791 29.08545 10.78396 2.297827       16.08008 
1 1 1 -14 28 39 o 15.82520 7.447018 -19.79513      29.65389 -18.75000      47.55684 -20.46000      37.93093 20.07692 9.442488 17.91926 8.429326 2.157660       12.65757 
1 1 1 -14 28 40 o 18.73028 8.979534 -35.09000      47.28087 -35.09000      47.28087 0.000000       0.000000 18.73028 8.979534 ?        ?        ?              ?        
1 1 1 -14 28 41 o 42.82531 8.351363 109.9895       33.74982 58.89000       52.62089 145.7000       43.98941 29.30851 11.84877 47.94953 9.705994 -18.64102      15.31665 
1 1 1 -14 28 42 o 16.89392 8.118073 -35.30000      39.15588 0.000000       0.000000 -35.30000      39.15588 ?        ?        16.89392 8.118073 ?              ?        
1 1 1 -14 28 43 o 27.51048 9.635532 48.73701       32.02715 26.84000       49.37702 64.64000       42.07961 24.66854 10.78364 30.32242 10.99791 -5.653889      15.40263 
1 1 1 -14 28 44 o 24.48222 9.432026 35.11066       31.92027 -6.612000      50.87442 62.20000       40.99329 21.43149 9.976886 29.86982 10.85196 -8.438328      14.74121 
1 1 1 -14 28 45 o 21.68320 9.054489 21.12325       32.04370 -45.58000      52.36202 61.06000       40.51625 18.69294 9.080035 29.37556 10.77056 -10.68262      14.08730 
1 1 1 -14 28 46 o 37.99158 9.016177 92.90998       33.02227 66.52000       51.78093 111.0000       42.87160 29.33885 11.79159 39.38451 10.79946 -10.04567      15.98968 
1 1 1 -14 28 47 o 28.69648 9.574254 56.36320       31.53790 63.88000       48.71604 50.94000       41.37934 28.78103 11.48134 26.92127 10.63214 1.859766       15.64812 
1 1 1 -14 29 1  o 102.6736 3.279377 521.9807       32.91539 548.6000       82.77661 516.9811       35.87349 102.1085 8.355075 102.0605 3.596573 0.4796600E-01  9.096296 
1 1 1 -14 29 2  f 52.67318 3.783301 138.4040       19.37601 36.38000       59.76773 150.3858       20.48220 31.03595 12.59842 54.90250 3.835467 -23.86656      13.16932 
1 1 1 -14 29 3  o 82.37833 3.271919 336.2078       26.33037 280.4000       67.36578 346.2708       28.60593 71.81136 9.842553 83.52905 3.506545 -11.71769      10.44853 
1 1 1 -14 29 4  f 21.83159 6.382994 24.80810       14.49768 17.85000       55.14434 25.32474       15.02628 27.86694 11.77177 22.06315 6.511234 5.803785       13.45254 
1 1 1 -14 29 5  o 45.54656 4.039769 103.9804       17.82359 69.72000       56.76822 107.7271       18.77288 35.79507 12.80064 46.32661 4.185028 -10.53154      13.46740 
1 1 1 -14 29 6  o 24.95390 6.162738 32.86531       14.96249 15.51000       54.09902 34.30286       15.56984 27.35306 11.61181 25.47565 6.283601 1.877407       13.20295 
1 1 1 -14 29 7  o 14.81448 6.701961 -9.662029      20.81587 -66.28000      53.30698 0.5245116      22.61103 19.61382 9.437146 17.25836 7.420954 2.355459       12.00543 
1 1 1 -14 29 8  o 15.45202 6.882582 -6.264182      21.02943 -30.13000      54.64547 -2.115280      22.78413 22.65521 10.47493 16.83773 7.343503 5.817486       12.79262 
1 1 1 -14 29 9  o 41.35397 4.296655 86.18539       17.13894 -7.209000      57.24219 95.38240       17.96301 25.34930 11.31885 43.53279 4.270462 -18.18349      12.09765 
1 1 1 -14 29 10 o 60.29445 4.806504 183.3860       28.13230 92.02000       61.23396 207.8299       31.67276 39.62511 13.34247 64.09666 5.090060 -24.47155      14.28041 
1 1 1 -14 29 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 29 12 o 85.61321 3.905115 365.6355       32.63891 239.2000       67.78549 403.7963       37.24014 65.00719 11.04789 89.82494 4.247566 -24.81776      11.83629 
1 1 1 -14 29 13 o 39.49126 4.466118 79.01361       16.96123 -9.620000      55.46637 88.15665       17.81459 24.56860 11.04277 41.75068 4.426553 -17.18207      11.89694 
1 1 1 -14 29 14 o 46.55989 4.283844 109.2608       19.30454 0.000000       0.000000 109.2608       19.30454 ?        ?        46.55989 4.283844 ?              ?        
1 1 1 -14 29 15 o 39.37707 4.880943 79.15857       18.41031 0.000000       0.000000 79.15857       18.41031 ?        ?        39.37707 4.880943 ?              ?        
1 1 1 -14 29 16 o 46.74017 4.196332 110.1166       18.99433 116.2000       59.93962 109.4375       20.02646 43.41707 13.05149 46.51041 4.453265 -3.093346      13.79033 
1 1 1 -14 29 17 o 38.40154 4.924791 75.59877       18.08596 53.23000       57.81858 78.02488       19.04152 32.35520 12.63069 38.95338 5.117686 -6.598183      13.62810 
1 1 1 -14 29 18 o 23.20465 6.906646 28.68944       16.84874 8.058000       57.57323 30.62189       17.62015 26.38710 11.58652 23.91221 7.049277 2.474886       13.56244 
1 1 1 -14 29 19 o 29.35900 6.500310 46.36237       18.18661 128.1000       58.60765 37.65294       19.13102 45.08290 12.72713 26.29059 7.216220 18.79231       14.63058 
1 1 1 -14 29 20 o 16.61003 6.913781 5.427413       18.59542 0.000000       0.000000 5.427413       18.59542 ?        ?        16.61003 6.913781 ?              ?        
1 1 1 -14 29 21 o 43.64764 5.771731 99.76965       24.05509 97.45000       57.82339 100.2551       26.45276 38.79541 12.96446 43.43407 6.414845 -4.638660      14.46469 
1 1 1 -14 29 22 o 44.80951 4.928460 103.5467       21.26014 145.2000       57.11901 96.84812       22.90595 47.71135 12.18813 43.02215 5.569992 4.689194       13.40057 
1 1 1 -14 29 23 o 90.69998 5.306510 424.7370       46.90522 397.4000       73.63924 443.4000       60.84499 83.61585 9.146376 91.10090 6.874038 -7.485046      11.44153 
1 1 1 -14 29 24 o 34.63413 6.814388 65.58084       22.27815 -1.352000      53.11499 79.86964       24.54118 23.83924 10.75254 38.32076 6.791260 -14.48153      12.71764 
1 1 1 -14 29 25 o 48.57171 4.908071 121.9764       23.01480 87.59000       54.80822 129.3377       25.35889 36.27385 12.61149 49.82470 5.279974 -13.55084      13.67215 
1 1 1 -14 29 26 o 21.25695 7.619196 22.78842       20.12448 1.564000       50.97838 26.70663       21.90342 23.57425 10.59198 22.59325 7.964015 0.9810066      13.25200 
1 1 1 -14 29 27 o 30.25530 7.631687 52.02483       22.59502 44.29000       52.57606 53.77702       25.02374 28.92113 11.78778 30.49826 8.204277 -1.577137      14.36182 
1 1 1 -14 29 28 o 57.49229 5.335118 172.8188       29.68089 117.2000       57.79562 192.7415       34.59068 40.91397 12.91010 60.29063 5.938426 -19.37666      14.21040 
1 1 1 -14 29 29 o 58.47075 5.986347 181.9664       33.77840 0.000000       0.000000 181.9664       33.77840 ?        ?        58.47075 5.986347 ?              ?        
1 1 1 -14 29 30 o 61.36018 4.259380 192.8069       25.42349 0.000000       0.000000 192.8069       25.42349 ?        ?        61.36018 4.259380 ?              ?        
1 1 1 -14 29 31 o 18.32039 7.430549 11.67940       20.77082 -30.37000      51.03896 20.02577       22.73897 20.30944 9.621099 20.72013 7.966482 -0.4106865     12.49121 
1 1 1 -14 29 32 o 31.15978 7.077222 54.98058       21.09197 31.56000       49.57809 60.15621       23.30626 26.28145 11.13473 32.37621 7.501436 -6.094759      13.42586 
1 1 1 -14 29 33 o 37.21696 9.121706 84.79966       32.96682 20.05000       49.47662 136.5000       44.21076 24.62814 10.77957 46.68877 9.976858 -22.06063      14.68798 
1 1 1 -14 29 34 o 49.62286 7.358033 139.8409       34.65855 87.58000       51.93607 181.8000       46.53646 34.53219 12.25493 54.96383 8.958122 -20.43164      15.17997 
1 1 1 -14 29 35 o 22.26657 9.088765 22.37611       31.31142 -67.24000      47.45146 91.49000       41.67150 16.83578 8.275690 36.69674 10.84665 -19.86096      13.64320 
1 1 1 -14 29 36 o 20.40224 8.717209 12.35570       30.83580 -9.516000      47.50595 28.28000       40.53563 20.92101 9.705636 24.32243 10.17218 -3.401424      14.05961 
1 1 1 -14 29 37 o 16.17426 7.573010 -17.74120      30.00647 -19.41000      48.26768 -16.69000      38.30870 20.21162 9.508012 18.40666 8.598174 1.804968       12.81916 
1 1 1 -14 29 38 o 24.85265 10.84622 26.10000       49.77340 26.10000       49.77340 0.000000       0.000000 24.85265 10.84622 ?        ?        ?              ?        
1 1 1 -14 29 39 o 29.28955 9.707061 55.70449       32.43097 53.44000       50.25981 57.32000       42.45128 28.43487 11.54913 29.10396 10.95657 -0.6690960     15.91945 
1 1 1 -14 29 40 o 25.58771 10.36745 37.65000       40.38727 0.000000       0.000000 37.65000       40.38727 ?        ?        25.58771 10.36745 ?              ?        
1 1 1 -14 29 41 o 14.65144 7.056645 -32.47494      29.98316 19.13000       47.38205 -66.94000      38.72200 23.62740 10.43750 14.67086 7.260786 8.956540       12.71457 
1 1 1 -14 29 42 o 26.51858 9.543490 44.61387       31.60902 48.09000       50.00122 42.30000       40.79457 27.37692 11.36133 26.19230 10.48702 1.184624       15.46148 
1 1 1 -14 29 43 o 15.73921 7.445296 -21.25661      30.35538 -20.14000      50.20587 -21.90000      38.11021 20.15152 9.545099 17.63438 8.341937 2.517141       12.67663 
1 1 1 -14 29 44 o 27.92489 9.669050 51.93194       32.20133 23.03000       51.54658 70.43000       41.23818 24.05586 10.74117 31.09525 10.93039 -7.039391      15.32469 
1 1 1 -14 29 45 o 24.39249 9.335493 37.02082       31.12848 35.57000       48.45978 38.04000       40.61620 24.97912 10.80309 24.91935 10.28098 0.5976868E-01  14.91326 
1 1 1 -14 29 46 o 17.96125 8.079825 1.407363       29.76531 23.99000       47.24102 -13.46000      38.33089 23.31833 10.35517 18.11053 8.504952 5.207806       13.40014 
1 1 1 -14 30 1  o 71.80013 3.375910 256.0208       23.65944 194.6000       65.48122 265.2433       25.37360 57.94389 11.94249 73.02553 3.560509 -15.08163      12.46196 
1 1 1 -14 30 2  o 27.54878 5.846526 39.88264       15.27699 0.9976000      54.90154 43.14619       15.90516 25.65876 11.28896 28.67294 5.865028 -3.014177      12.72160 
1 1 1 -14 30 3  o 28.04051 5.759003 41.22915       15.27720 77.25000       54.08529 38.10599       15.92573 36.77196 12.53817 26.83476 6.189347 9.937201       13.98262 
1 1 1 -14 30 4  o 58.49635 3.604151 170.5196       20.53638 171.8000       60.06285 170.3501       21.85347 54.53654 11.60810 58.39551 3.844657 -3.858974      12.22822 
1 1 1 -14 30 5  o 37.14215 4.739440 70.25510       16.83860 94.38000       55.65758 67.82448       17.66651 39.92969 12.67778 36.37344 5.102142 3.556248       13.66595 
1 1 1 -14 30 6  o 47.30168 4.052738 112.3317       18.58361 150.0000       59.52839 108.2643       19.56122 50.38184 12.20192 46.33849 4.364072 4.043354       12.95886 
1 1 1 -14 30 7  o 82.78883 4.137079 342.9266       33.41901 286.6000       68.85790 360.2823       38.22245 71.96569 10.04872 84.63119 4.631701 -12.66550      11.06479 
1 1 1 -14 30 8  o 30.38694 7.797885 50.18648       23.30759 -1.604000      56.64329 60.74279       25.57287 25.59641 11.35440 33.39896 7.939599 -7.802559      13.85495 
1 1 1 -14 30 9  o 26.41227 9.256921 35.32671       29.56278 4.429000       56.09221 47.21000       34.78625 26.11230 11.45208 29.68263 10.05631 -3.570337      15.24072 
1 1 1 -14 30 10 o 79.32152 3.830229 314.1174       29.65080 228.2000       66.26862 335.6232       33.15468 63.13914 11.12918 81.85847 4.151407 -18.71933      11.87825 
1 1 1 -14 30 11 o 84.14991 3.299246 351.7346       27.12265 323.1000       69.69295 356.8456       29.44388 76.72214 9.481874 84.65771 3.561175 -7.935577      10.12857 
1 1 1 -14 30 12 o 33.63758 5.810936 59.17031       18.44111 39.30000       58.44403 61.36739       19.43391 30.61309 12.44654 34.19318 6.026623 -3.580097      13.82883 
1 1 1 -14 30 13 o 48.05972 4.977994 117.8555       23.07889 0.000000       0.000000 117.8555       23.07889 ?        ?        48.05972 4.977994 ?              ?        
1 1 1 -14 30 14 o 92.33784 3.650483 425.6067       32.92908 0.000000       0.000000 425.6067       32.92908 ?        ?        92.33784 3.650483 ?              ?        
1 1 1 -14 30 15 o 16.27508 6.533084 7.720696       15.87437 28.00000       53.63392 5.773622       16.61897 28.11226 11.72477 16.03963 6.592661 12.07263       13.45115 
1 1 1 -14 30 16 o 73.79700 3.544436 272.1492       25.52822 172.9000       62.78721 291.8055       27.94202 52.92987 12.34634 76.32746 3.751487 -23.39759      12.90372 
1 1 1 -14 30 17 o 46.92485 4.406001 111.9424       20.00060 88.31000       57.93338 115.1402       21.31086 37.40493 12.96823 47.49967 4.642787 -10.09475      13.77426 
1 1 1 -14 30 18 o 46.49925 4.383090 110.0310       19.71418 75.24000       57.65825 114.6367       20.97853 34.98346 12.84495 47.38858 4.579670 -12.40512      13.63694 
1 1 1 -14 30 19 o 69.98605 3.674650 245.9787       25.08473 188.6000       62.85223 256.8499       27.35806 54.92530 12.02491 71.39014 3.930247 -16.46484      12.65090 
1 1 1 -14 30 20 o 31.21843 6.887660 53.51207       20.48152 38.38000       53.20539 56.14456       22.19169 28.67721 11.79249 31.81410 7.283750 -3.136894      13.86058 
1 1 1 -14 30 21 o 39.11945 9.008155 88.88950       33.78039 116.9000       56.48101 73.29000       42.14996 41.88158 12.68674 34.37732 11.04538 7.504269       16.82123 
1 1 1 -14 30 22 o 32.45818 7.208080 58.52833       22.30447 0.000000       0.000000 58.52833       22.30447 ?        ?        32.45818 7.208080 ?              ?        
1 1 1 -14 30 23 o 23.40700 8.595619 27.97896       25.82117 42.28000       52.43155 23.39998       29.66835 28.81279 11.76102 22.93359 9.019499 5.879202       14.82137 
1 1 1 -14 30 24 o 38.14236 6.343275 78.61535       22.85104 27.49000       53.25700 90.15144       25.29811 26.82392 11.45843 40.76961 6.562030 -13.94569      13.20439 
1 1 1 -14 30 25 o 18.55460 7.761158 8.615101       23.60284 0.9546000      50.48687 10.75766       26.70033 23.30503 10.49990 19.75597 8.258561 3.549057       13.35859 
1 1 1 -14 30 26 f 16.17325 7.122295 -1.277704      21.90053 -57.73000      50.10787 12.05277       24.34938 18.42224 8.933091 19.41367 7.979788 -0.9914322     11.97819 
1 1 1 -14 30 27 o 27.19250 8.667397 43.05833       25.99351 -19.95000      51.75474 64.31380       30.05983 21.45699 10.01342 32.74442 9.068235 -11.28743      13.50931 
1 1 1 -14 30 28 o 44.77628 7.438379 112.5623       31.45772 0.000000       0.000000 112.5623       31.45772 ?        ?        44.77628 7.438379 ?              ?        
1 1 1 -14 30 29 f 24.93719 7.410601 35.38456       19.40935 -28.11000      51.55133 45.87197       20.95104 20.58742 9.727849 28.27132 7.462848 -7.683895      12.26072 
1 1 1 -14 30 30 o 26.39713 7.619734 40.25999       20.77952 51.55000       50.76959 37.98812       22.77448 29.13611 11.68768 25.58767 8.107964 3.548441       14.22466 
1 1 1 -14 30 31 o 23.24903 7.678778 30.49866       20.29922 -3.877000      48.14523 37.93071       22.38628 21.87482 10.01043 25.51543 8.032567 -3.640604      12.83475 
1 1 1 -14 30 32 o 32.44027 9.533873 66.58044       32.27173 54.63000       49.23836 75.58000       42.72897 29.15167 11.57094 33.23801 11.14517 -4.086336      16.06554 
1 1 1 -14 30 33 o 26.18903 9.470068 41.40859       31.16968 76.80000       50.37289 19.45000       39.67804 32.60843 12.00044 22.99197 9.857474 9.616457       15.52998 
1 1 1 -14 30 34 o 28.01073 9.592348 49.64738       31.66335 61.64000       49.69213 41.45000       41.08355 29.90294 11.69896 26.44106 10.54504 3.461884       15.75004 
1 1 1 -14 30 35 f 15.75058 7.426151 -20.89038      29.74293 -2.233000      47.23281 -33.15000      38.28751 21.53738 9.878073 16.92462 8.104989 4.612761       12.77761 
1 1 1 -14 30 36 o 24.71314 9.324265 35.58262       30.78292 3.643000       49.17730 56.16000       39.47252 22.33442 10.18117 29.04030 10.63364 -6.705879      14.72177 
1 1 1 -14 30 37 o 22.86976 10.29654 10.21000       48.45285 10.21000       48.45285 0.000000       0.000000 22.86976 10.29654 ?        ?        ?              ?        
1 1 1 -14 30 38 o 18.48716 8.253211 1.077349       30.41847 -15.68000      47.80252 12.48000       39.43220 20.25654 9.508017 21.75476 9.569440 -1.498217      13.48987 
1 1 1 -14 30 39 o 30.89539 10.96792 66.91000       41.60329 0.000000       0.000000 66.91000       41.60329 ?        ?        30.89539 10.96792 ?              ?        
1 1 1 -14 30 40 o 21.54551 8.911482 20.60614       30.62038 16.75000       48.01181 23.25000       39.75491 23.31288 10.39072 23.15120 9.895011 0.1616840      14.34846 
1 1 1 -14 30 41 o 17.48156 7.972184 -5.341379      30.19123 -24.87000      48.96875 6.634000       38.34668 19.57822 9.317564 20.67828 9.246506 -1.100063      13.12688 
1 1 1 -14 30 42 o 24.68416 9.446853 36.93152       31.87495 30.10000       52.17309 41.00000       40.26282 24.99726 11.00114 25.75340 10.38119 -0.7561398     15.12595 
1 1 1 -14 30 43 o 18.40646 8.245008 2.090813       30.63317 -25.24000      49.94715 18.57000       38.78397 19.49510 9.314594 22.04609 9.598555 -2.550982      13.37512 
1 1 1 -14 30 44 o 16.52626 7.644709 -9.022223      29.15567 -3.350000      45.68467 -12.92000      37.87061 20.39052 9.479431 18.10800 8.487822 2.282528       12.72410 
1 1 1 -14 30 45 o 23.07947 9.133187 31.63946       30.59036 23.59000       47.36417 37.40000       40.06804 23.21586 10.33564 24.54934 10.17759 -1.333477      14.50547 
1 1 1 -14 31 1  o 87.88246 3.284972 383.5789       28.20817 357.0000       71.60704 388.4610       30.68973 80.89116 9.207444 88.33023 3.556859 -7.439072      9.870576 
1 1 1 -14 31 2  o 38.65955 4.654903 76.10317       17.26061 59.26000       57.08817 77.79781       18.10812 33.46841 12.68209 39.03209 4.843508 -5.563675      13.57552 
1 1 1 -14 31 3  o 51.59574 3.844160 133.3882       19.27477 243.3000       62.68505 121.9111       20.25613 66.01859 10.01433 49.18604 4.248969 16.83255       10.87845 
1 1 1 -14 31 4  o 36.85771 4.772321 69.42075       16.81348 87.88000       57.34912 67.68492       17.58626 38.29849 12.91234 36.28311 5.091729 2.015385       13.88000 
1 1 1 -14 31 5  o 42.07424 4.347897 89.58971       17.64847 117.9000       58.02629 86.70392       18.52614 43.87878 12.75312 41.28182 4.666511 2.596962       13.58007 
1 1 1 -14 31 6  o 12.83374 5.667152 -3.268299      13.95556 -38.94000      54.84171 -0.7984478     14.43060 21.66088 10.17251 13.60662 5.889934 8.054255       11.75463 
1 1 1 -14 31 7  o 46.56084 4.170249 109.3363       18.80488 70.56000       58.11169 113.8717       19.87422 35.14600 12.89689 47.47182 4.324512 -12.32583      13.60262 
1 1 1 -14 31 8  o 17.22290 7.890850 -15.50452      30.03251 -72.71000      56.28490 7.265000       35.50994 19.61211 9.500027 21.92357 9.360560 -2.311453      13.33681 
1 1 1 -14 31 9  o 32.67943 9.462842 60.57591       32.00138 -10.16000      56.84187 93.40000       38.72084 24.43472 11.06243 40.31957 9.887939 -15.88484      14.83741 
1 1 1 -14 31 10 o 36.32137 7.329442 71.52262       25.15837 -7.936000      56.58312 91.10168       28.08744 24.53768 11.07999 41.15391 7.236657 -16.61624      13.23387 
1 1 1 -14 31 11 o 67.40001 3.768558 227.6122       24.76330 0.000000       0.000000 227.6122       24.76330 ?        ?        67.40001 3.768558 ?              ?        
1 1 1 -14 31 12 o 87.11858 3.701638 379.7906       31.49343 0.000000       0.000000 379.7906       31.49343 ?        ?        87.11858 3.701638 ?              ?        
1 1 1 -14 31 13 o 33.39414 6.242545 59.45451       19.65504 53.75000       54.94470 60.29162       21.04783 31.65093 12.32507 33.45895 6.660958 -1.808018      14.00984 
1 1 1 -14 31 14 o 65.36042 6.604882 225.6795       41.67659 170.3000       61.79049 271.9000       56.45008 52.15206 12.30458 70.30882 8.366446 -18.15675      14.87952 
1 1 1 -14 31 15 o 85.81798 3.494710 368.4460       29.29451 274.8000       67.24869 390.3781       32.54463 68.64156 10.32879 88.17784 3.779394 -19.53629      10.99853 
1 1 1 -14 31 16 o 31.17569 6.185831 52.25418       18.20996 67.86000       54.01030 50.25266       19.34250 33.38217 12.40061 30.35215 6.690974 3.030020       14.09057 
1 1 1 -14 31 17 o 86.45867 3.445656 374.4473       29.10155 242.9000       64.63335 407.8973       32.59218 63.57725 10.77009 90.08347 3.704158 -26.50623      11.38928 
1 1 1 -14 31 18 f 15.56804 6.604784 3.095565       17.48434 28.64000       48.79683 -0.6670268     18.72781 26.70667 11.16439 15.25386 6.655173 11.45281       12.99750 
1 1 1 -14 31 19 o 27.66218 9.504216 43.52801       31.09104 60.81000       50.91202 33.25000       39.26250 31.73777 11.98769 26.19384 10.35294 5.543934       15.83944 
1 1 1 -14 31 20 o 36.12224 6.176604 70.18488       21.05470 43.32000       51.28076 75.63179       23.09070 28.88352 11.68972 37.32318 6.559816 -8.439667      13.40450 
1 1 1 -14 31 21 o 36.58006 6.130311 72.00732       21.17402 118.8000       52.14404 62.76817       23.17031 42.38020 12.01875 33.51003 7.273200 8.870171       14.04813 
1 1 1 -14 31 22 o 22.69192 7.898213 27.36854       21.49970 5.334000       49.99815 32.36721       23.81383 23.71161 10.58363 24.28309 8.318720 -0.5714836     13.46159 
1 1 1 -14 31 23 o 40.59576 5.877175 88.04105       22.67506 22.08000       55.45515 101.2831       24.84711 26.24958 11.45235 43.51673 5.992197 -17.26715      12.92527 
1 1 1 -14 31 24 o 51.02897 6.328474 140.1651       30.93281 0.000000       0.000000 140.1651       30.93281 ?        ?        51.02897 6.328474 ?              ?        
1 1 1 -14 31 25 o 35.23613 7.386859 70.08488       24.66159 3.607000       52.47970 88.92592       27.93863 23.71515 10.69308 39.76221 7.452154 -16.04706      13.03367 
1 1 1 -14 31 26 o 55.15413 6.927303 167.3824       36.57513 141.5000       59.50313 183.1000       46.36924 44.49063 12.90956 55.99363 8.746139 -11.50300      15.59332 
1 1 1 -14 31 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 31 28 o 21.05108 8.176578 20.74761       24.13381 48.66000       50.36796 12.42968       27.49562 28.62578 11.58528 19.98265 8.368894 8.643137       14.29186 
1 1 1 -14 31 29 o 17.09171 7.203061 6.655351       20.56835 40.27000       49.49977 -0.3598067     22.61297 27.28661 11.31229 16.39849 7.228731 10.88812       13.42470 
1 1 1 -14 31 30 o 30.38330 7.021793 52.73581       20.46399 74.65000       51.07632 48.54538       22.33502 32.41769 12.05589 28.72213 7.761616 3.695553       14.33831 
1 1 1 -14 31 31 o 23.17463 9.183096 27.51393       30.96400 27.52000       49.40402 27.51000       39.73719 25.16206 10.89501 24.15049 10.08378 1.011568       14.84533 
1 1 1 -14 31 32 o 25.67440 9.506402 39.52666       31.69388 30.28000       51.09347 45.31000       40.40755 25.56426 11.07442 27.07738 10.56230 -1.513121      15.30375 
1 1 1 -14 31 33 o 27.09988 9.581129 46.04174       31.72008 81.42000       51.53189 24.46000       40.24863 33.01436 12.13978 23.62956 10.02277 9.384802       15.74262 
1 1 1 -14 31 34 o 13.87309 6.746230 -39.24443      29.11908 -89.55000      48.20956 -10.35000      36.53694 15.80517 7.869294 18.59502 8.586157 -2.789845      11.64680 
1 1 1 -14 31 35 o 18.97179 8.347732 5.051052       30.02688 -34.76000      47.65113 31.27000       38.67043 18.75601 8.997869 24.39675 10.04511 -5.640741      13.48577 
1 1 1 -14 31 36 o 17.51731 8.535501 -51.96000      47.26322 -51.96000      47.26322 0.000000       0.000000 17.51731 8.535501 ?        ?        ?              ?        
1 1 1 -14 31 37 o 21.81768 8.928320 22.01305       30.31103 27.95000       48.01693 18.08000       39.08209 24.72315 10.72283 22.41197 9.697254 2.311182       14.45738 
1 1 1 -14 31 38 o 22.30760 9.682355 17.44000       39.21018 0.000000       0.000000 17.44000       39.21018 ?        ?        22.30760 9.682355 ?              ?        
1 1 1 -14 31 39 o 33.52213 9.451328 73.50346       32.34194 36.27000       49.72710 100.8000       42.57750 25.68286 11.02369 37.76357 10.90912 -12.08071      15.50905 
1 1 1 -14 31 40 o 40.37595 8.777384 101.5241       33.69746 109.4000       54.02908 96.51000       43.10954 36.93091 12.53261 36.63833 11.08059 0.2925797      16.72860 
1 1 1 -14 31 41 o 17.39357 7.954217 -5.447187      30.32870 -23.23000      50.15287 4.805000       38.08061 19.73092 9.401292 20.24316 9.119831 -0.5122433     13.09792 
1 1 1 -14 31 42 o 23.03578 9.231044 29.98639       31.63596 29.15000       50.69094 30.52000       40.48892 24.41099 10.78917 23.80759 10.07341 0.6034012      14.76076 
1 1 1 -14 31 43 o 15.91611 7.477755 -15.28539      29.68853 23.44000       46.31313 -42.30000      38.68171 23.12296 10.26154 15.85861 7.726067 7.264343       12.84490 
1 1 1 -14 31 44 o 29.83735 9.588121 62.30294       31.76079 89.61000       49.40622 43.07000       41.46360 32.52471 11.89873 25.28563 10.40534 7.239082       15.80667 
1 1 1 -14 32 1  o 48.61911 4.167987 119.4632       19.64415 76.31000       59.46506 124.7494       20.81258 35.65211 13.05214 49.63017 4.327475 -13.97806      13.75083 
1 1 1 -14 32 2  o 69.30819 3.525532 240.0226       23.83891 153.8000       64.40268 253.7119       25.66165 49.14399 13.13611 71.19060 3.695258 -22.04660      13.64597 
1 1 1 -14 32 3  o 47.04158 4.181964 111.9341       19.05561 62.24000       58.94989 117.7326       20.13669 33.38292 12.82903 48.20432 4.313252 -14.82140      13.53470 
1 1 1 -14 32 4  o 31.97069 5.690324 53.80326       17.15439 67.72000       59.14190 52.52486       17.92498 34.19832 12.91958 31.44914 6.042486 2.749180       14.26279 
1 1 1 -14 32 5  o 21.95795 6.701156 25.55186       15.71844 41.90000       58.83350 24.29525       16.31136 30.39323 12.43841 21.55032 6.865621 8.842909       14.20742 
1 1 1 -14 32 6  o 44.64975 4.810744 102.0932       20.69366 77.76000       58.75743 105.5388       22.11028 35.68559 12.98818 45.29449 5.074152 -9.608898      13.94417 
1 1 1 -14 32 7  o 57.44904 4.348330 167.1966       24.27027 101.9000       59.62335 180.1649       26.57131 39.75259 13.16135 59.53067 4.595564 -19.77808      13.94060 
1 1 1 -14 32 8  o 30.40944 5.920000 49.20098       16.98713 10.85000       54.36667 53.35019       17.88246 25.79652 11.29512 31.66937 5.988067 -5.872852      12.78424 
1 1 1 -14 32 9  o 63.73892 3.637625 203.7818       22.60069 176.9000       61.59070 207.9648       24.29553 53.36326 12.07441 64.28548 3.879116 -10.92223      12.68223 
1 1 1 -14 32 10 o 60.02180 5.832452 187.8350       33.83471 0.000000       0.000000 187.8350       33.83471 ?        ?        60.02180 5.832452 ?              ?        
1 1 1 -14 32 11 o 50.07584 6.746195 134.1568       32.22651 0.000000       0.000000 134.1568       32.22651 ?        ?        50.07584 6.746195 ?              ?        
1 1 1 -14 32 12 o 34.53422 5.404068 62.63983       17.66889 42.53000       54.58982 64.99306       18.67410 29.46602 12.01083 35.09356 5.626382 -5.627537      13.26334 
1 1 1 -14 32 13 o 43.67001 4.587569 97.91903       19.31729 88.10000       55.91260 99.24993       20.58486 36.60709 12.73729 43.83667 4.880013 -7.229584      13.64012 
1 1 1 -14 32 14 o 22.97639 7.412937 28.52748       18.97201 21.83000       51.49754 29.57923       20.40736 26.17066 11.22538 23.39733 7.697903 2.773325       13.61128 
1 1 1 -14 32 15 o 43.65107 5.511086 99.97176       23.02330 51.08000       50.88009 112.5603       25.81771 30.16694 11.82742 46.16628 5.844030 -15.99933      13.19244 
1 1 1 -14 32 16 f 40.67985 5.177151 86.40506       20.14828 39.90000       51.08815 94.97061       21.92542 28.40549 11.60382 42.57062 5.381833 -14.16513      12.79112 
1 1 1 -14 32 17 o 48.91503 5.833826 126.5194       27.38211 127.0000       52.46423 126.3395       32.10115 44.13317 11.88260 48.11210 7.023497 -3.978931      13.80311 
1 1 1 -14 32 18 o 19.46671 7.247854 17.60907       18.47051 25.33000       48.02069 16.26846       20.00991 25.86338 10.95806 19.42369 7.471825 6.439690       13.26300 
1 1 1 -14 32 19 o 13.17896 6.116652 -13.05556      18.89977 -41.25000      45.21230 -7.085563      20.80471 18.47089 8.835241 14.83837 6.707682 3.632513       11.09299 
1 1 1 -14 32 20 o 20.32914 7.556766 19.79052       20.06310 28.08000       47.73369 18.01185       22.11104 26.06446 10.97817 20.25253 7.837390 5.811930       13.48869 
1 1 1 -14 32 21 o 22.03586 7.653512 25.78417       20.18274 68.42000       48.56648 16.88402       22.18952 32.47394 11.80987 19.97123 7.816411 12.50271       14.16225 
1 1 1 -14 32 22 o 22.69408 7.913305 27.68299       21.58720 43.37000       51.48685 24.33717       23.77814 28.42094 11.63412 22.04906 8.220758 6.371881       14.24548 
1 1 1 -14 32 23 o 28.38864 8.338435 47.25270       24.69203 42.36000       52.11742 48.66881       28.03858 28.20156 11.64163 28.57729 8.988686 -0.3757305     14.70796 
1 1 1 -14 32 24 o 25.11522 7.786803 36.15308       21.12159 16.76000       52.06940 39.97263       23.10816 24.83785 10.95823 26.22627 8.146975 -1.388416      13.65489 
1 1 1 -14 32 25 o 41.35143 6.125842 92.74677       24.04605 0.000000       0.000000 92.74677       24.04605 ?        ?        41.35143 6.125842 ?              ?        
1 1 1 -14 32 26 o 33.28719 6.873977 62.32611       21.65501 0.000000       0.000000 62.32611       21.65501 ?        ?        33.28719 6.873977 ?              ?        
1 1 1 -14 32 27 f 22.53278 9.007864 23.71978       30.05078 37.57000       50.83508 16.28000       37.25763 26.96486 11.34166 22.38754 9.574165 4.577324       14.84243 
1 1 1 -14 32 28 o 51.20206 4.330328 135.6075       21.49944 71.55000       50.50361 149.7854       23.75986 31.86310 11.96013 53.66918 4.566170 -21.80608      12.80213 
1 1 1 -14 32 29 o 23.54665 7.696754 32.04785       20.41534 -4.509000      47.25323 40.43755       22.63708 21.34643 9.823366 26.04368 8.059088 -4.697252      12.70620 
1 1 1 -14 32 30 o 35.62653 9.354749 80.41314       33.03275 40.60000       51.09631 109.0000       43.29717 26.85618 11.33745 40.12212 10.79121 -13.26594      15.65209 
1 1 1 -14 32 31 o 32.24713 9.630596 67.59004       32.71656 8.403000       51.55340 107.5000       42.33355 23.09540 10.48748 39.84613 10.64991 -16.75074      14.94683 
1 1 1 -14 32 32 o 27.89275 9.638736 49.56179       31.99320 -24.74000      49.96362 101.2000       41.65238 19.99797 9.486893 38.62471 10.66602 -18.62674      14.27463 
1 1 1 -14 32 33 o 19.18204 8.402747 6.391663       30.11829 -33.68000      48.22284 32.02000       38.56509 18.93164 9.074073 24.49094 10.05203 -5.559298      13.54186 
1 1 1 -14 32 34 o 19.00605 8.373981 4.997828       30.31001 10.89000       48.38795 1.193000       38.88365 22.83117 10.28349 20.25380 9.161531 2.577370       13.77258 
1 1 1 -14 32 35 o 22.29354 10.10167 7.553000       47.51896 7.553000       47.51896 0.000000       0.000000 22.29354 10.10167 ?        ?        ?              ?        
1 1 1 -14 32 36 o 20.60883 8.734879 15.28699       30.53059 -33.99000      48.29443 48.09000       39.40322 18.84363 9.044753 27.20226 10.47956 -8.358633      13.84301 
1 1 1 -14 32 37 o 36.24972 10.99801 93.65000       42.42233 0.000000       0.000000 93.65000       42.42233 ?        ?        36.24972 10.99801 ?              ?        
1 1 1 -14 32 38 o 24.71611 9.308562 37.17507       30.64831 90.50000       49.49176 4.006000       39.03322 34.09593 11.97523 20.41340 9.211548 13.68253       15.10823 
1 1 1 -14 32 39 o 17.03565 7.843511 -8.490888      30.17813 24.12000       50.42453 -26.69000      37.66914 24.17214 10.71831 17.05517 8.132306 7.116972       13.45424 
1 1 1 -14 32 40 o 27.25233 9.585625 49.46502       31.71883 103.5000       52.27560 17.98000       39.90374 35.54157 12.31891 22.07884 9.671804 13.46273       15.66203 
1 1 1 -14 32 41 o 19.29458 8.410026 10.24459       29.84486 -19.40000      47.15145 30.06000       38.54995 19.27876 9.165932 23.45938 9.872453 -4.180618      13.47144 
1 1 1 -14 32 42 o 20.25295 8.599457 17.31336       29.68128 -32.45000      45.52010 54.12000       39.14817 17.86837 8.628109 27.27215 10.46126 -9.403782      13.56032 
1 1 1 -14 33 1  o 64.94318 3.630095 211.8361       22.98402 192.4000       63.04427 214.8154       24.68278 55.47814 11.96201 65.28136 3.880275 -9.803226      12.57562 
1 1 1 -14 33 2  o 21.91799 6.894510 25.63693       16.49544 44.93000       55.14576 23.74104       17.28693 29.90049 12.11465 21.33541 7.087602 8.565081       14.03562 
1 1 1 -14 33 3  o 51.89447 4.111069 136.5391       20.71198 113.5000       59.68756 139.6931       22.08423 41.17146 13.13525 52.38852 4.345724 -11.21706      13.83546 
1 1 1 -14 33 4  o 36.30910 5.208834 68.81593       17.98294 85.85000       57.77715 66.98875       18.92286 36.32519 12.92220 35.64444 5.608716 0.6807518      14.08691 
1 1 1 -14 33 5  f 21.73091 7.138201 24.92391       17.55041 13.36000       56.01945 26.18245       18.48078 25.97509 11.41658 22.22719 7.326135 3.747902       13.56505 
1 1 1 -14 33 6  o 18.29946 6.938858 14.23632       17.09686 25.98000       55.27196 12.99380       17.97857 27.27678 11.66308 18.17920 7.058327 9.097582       13.63259 
1 1 1 -14 33 7  o 35.48614 5.654973 66.63582       18.98376 90.38000       57.58423 63.74059       20.10786 36.86767 12.91963 34.44493 6.191542 2.422741       14.32662 
1 1 1 -14 33 8  o 57.41812 4.202710 167.5846       23.45665 0.000000       0.000000 167.5846       23.45665 ?        ?        57.41812 4.202710 ?              ?        
1 1 1 -14 33 9  o 27.60860 6.653891 41.92441       17.76880 0.000000       0.000000 41.92441       17.76880 ?        ?        27.60860 6.653891 ?              ?        
1 1 1 -14 33 10 f 15.38720 6.423349 4.574619       16.11880 0.9563000      51.92887 4.960412       16.95635 23.78720 10.68875 15.78336 6.588377 8.003831       12.55611 
1 1 1 -14 33 11 o 42.12838 6.781914 96.39336       27.01702 25.70000       52.00593 122.5242       31.61840 26.61640 11.34502 47.42943 7.022520 -20.81303      13.34261 
1 1 1 -14 33 12 o 13.77180 6.543432 -24.57990      23.95215 59.26000       48.33200 -51.87379      27.57669 31.25862 11.70704 12.69109 6.252090 18.56753       13.27190 
1 1 1 -14 33 13 o 52.74773 4.257339 142.0158       21.79444 66.25000       53.46432 157.1152       23.86755 32.44680 12.27798 55.39927 4.438575 -22.95247      13.05564 
1 1 1 -14 33 14 o 32.38601 8.359380 60.85629       26.67892 15.26000       48.94026 80.13522       31.82313 24.70317 10.76847 36.90360 8.911384 -12.20043      13.97758 
1 1 1 -14 33 15 f 49.00245 7.788457 134.7111       36.10859 92.07000       50.53223 179.2000       51.61552 36.99227 12.11020 54.50406 10.04487 -17.51180      15.73393 
1 1 1 -14 33 16 f 51.55660 5.038019 138.2823       25.10030 113.2000       50.77431 146.3944       28.87539 41.20403 11.91603 52.63898 5.694780 -11.43495      13.20690 
1 1 1 -14 33 17 o 21.67394 7.495434 24.85475       19.34836 80.44000       47.59004 13.84742       21.17763 34.81186 11.76249 19.02434 7.576331 15.78752       13.99131 
1 1 1 -14 33 18 o 31.32254 6.866844 54.69120       20.47159 12.75000       46.93399 64.54535       22.74974 23.87922 10.47405 33.98149 7.070044 -10.10227      12.63690 
1 1 1 -14 33 19 o 33.86981 8.165017 66.70776       26.75058 19.36000       47.64495 88.50442       32.32675 24.74994 10.70793 38.73938 8.734426 -13.98944      13.81847 
1 1 1 -14 33 20 o 16.44030 7.072911 2.950257       20.56040 27.78000       46.46452 -3.095214      22.92717 25.62856 10.81489 16.14505 7.189148 9.483519       12.98637 
1 1 1 -14 33 21 o 18.80707 7.893045 9.483518       24.53629 36.67000       50.08324 0.8977508      28.14528 27.08985 11.31656 18.28126 8.061431 8.808582       13.89429 
1 1 1 -14 33 22 o 20.40547 8.167826 17.22893       24.73940 -24.49000      50.18604 30.62112       28.43427 20.54021 9.672671 23.91687 8.974877 -3.376657      13.19504 
1 1 1 -14 33 23 o 59.24249 4.311174 180.6214       24.82863 234.9000       58.85918 168.8723       27.38428 61.54357 10.12229 56.81833 4.973982 4.725246       11.27836 
1 1 1 -14 33 24 o 17.05905 7.361598 3.802826       22.40504 0.000000       0.000000 3.802826       22.40504 ?        ?        17.05905 7.361598 ?              ?        
1 1 1 -14 33 25 o 27.12453 7.550063 42.86214       20.77949 48.11000       52.73337 41.89751       22.60877 28.39338 11.71447 26.64865 8.016810 1.744728       14.19500 
1 1 1 -14 33 26 o 33.85447 7.774063 67.29168       25.21710 90.90000       51.14894 59.71076       28.98445 35.15600 12.18543 30.99824 9.014486 4.157766       15.15736 
1 1 1 -14 33 27 o 29.29240 8.331364 52.21635       25.01981 44.51000       50.53005 54.71939       28.79782 27.34842 11.39130 29.51681 9.082156 -2.168394      14.56871 
1 1 1 -14 33 28 o 31.86237 7.637118 59.91037       23.50817 0.000000       0.000000 59.91037       23.50817 ?        ?        31.86237 7.637118 ?              ?        
1 1 1 -14 33 29 o 21.05318 8.022110 22.90267       22.92046 40.27000       47.91720 17.75000       26.10003 26.41144 11.05372 20.38240 8.306179 6.029047       13.82669 
1 1 1 -14 33 30 o 20.10065 8.647622 11.27403       30.73441 70.55000       50.73920 -23.08000      38.62719 31.08577 11.91332 17.78331 8.408184 13.30246       14.58166 
1 1 1 -14 33 31 o 25.35736 9.444968 38.96064       31.37240 9.349000       48.98017 59.56000       40.85225 22.75051 10.28747 29.48227 10.81424 -6.731756      14.92581 
1 1 1 -14 33 32 o 17.52458 7.978873 -5.229626      30.08665 -51.18000      47.16829 26.29000       39.06575 17.51328 8.532062 23.56482 9.928770 -6.051538      13.09109 
1 1 1 -14 33 33 o 22.91430 10.30694 12.81000       48.42252 12.81000       48.42252 0.000000       0.000000 22.91430 10.30694 ?        ?        ?              ?        
1 1 1 -14 33 34 f 14.42399 6.960917 -33.00391      29.52450 -62.66000      46.58852 -13.10000      38.16728 16.67629 8.197850 18.49383 8.620111 -1.817535      11.89584 
1 1 1 -14 33 35 o 29.61478 10.87576 61.55000       41.33796 0.000000       0.000000 61.55000       41.33796 ?        ?        29.61478 10.87576 ?              ?        
1 1 1 -14 33 36 o 20.16154 8.670225 12.98094       30.87096 -8.232000      48.87665 27.06000       39.81876 20.79643 9.713670 23.52122 9.972634 -2.724791      13.92152 
1 1 1 -14 33 37 o 17.68971 8.045944 -3.704736      30.49806 6.986000       48.77040 -10.57000      39.08239 22.15910 10.11570 18.81797 8.754924 3.341131       13.37820 
1 1 1 -14 33 38 o 29.08189 9.659427 57.12555       32.10895 70.15000       52.57973 49.38000       40.54755 29.96462 11.93639 26.97822 10.56398 2.986401       15.93973 
1 1 1 -14 33 39 o 25.62651 9.417253 42.79157       31.00218 64.72000       49.84885 28.96000       39.59015 28.99969 11.59881 23.44751 9.942784 5.552181       15.27715 
1 1 1 -14 33 40 o 18.38690 8.185450 4.876179       29.70391 27.91000       46.52801 -10.97000      38.59169 23.62749 10.39397 18.34837 8.590105 5.279116       13.48423 
1 1 1 -14 33 41 o 18.40928 8.181866 5.877118       29.55320 6.526000       46.67827 5.443000       38.18001 21.18218 9.753451 19.87890 9.026251 1.303272       13.28921 
1 1 1 -14 34 1  o 20.03016 6.991290 20.28344       16.85214 -7.495000      51.80588 23.57069       17.82139 22.85516 10.43051 21.21720 7.197807 1.637964       12.67296 
1 1 1 -14 34 2  o 18.66050 6.876238 16.11513       16.54770 -66.03000      51.94423 25.39318       17.45721 18.44895 8.980201 21.78085 7.117184 -3.331894      11.45855 
1 1 1 -14 34 3  o 52.93188 4.051044 142.4051       20.82945 122.2000       57.10719 145.5056       22.37060 42.37543 12.73962 53.37463 4.318757 -10.99920      13.45175 
1 1 1 -14 34 4  o 37.57136 5.900522 75.33485       20.98535 59.31000       55.43524 78.01543       22.67268 31.42680 12.33830 38.02927 6.312061 -6.602472      13.85914 
1 1 1 -14 34 5  o 50.00132 4.287899 127.7642       20.78370 193.1000       58.71809 118.4061       22.22234 55.67463 11.16370 47.86447 4.808250 7.810158       12.15514 
1 1 1 -14 34 6  o 25.76344 6.679691 36.72375       16.98354 13.68000       52.40920 39.42757       17.95228 25.09237 11.03511 26.63854 6.847660 -1.546171      12.98707 
1 1 1 -14 34 7  o 24.01056 7.311149 31.99166       18.72424 0.000000       0.000000 31.99166       18.72424 ?        ?        24.01056 7.311149 ?              ?        
1 1 1 -14 34 8  o 22.33890 7.171832 27.13768       17.77280 0.000000       0.000000 27.13768       17.77280 ?        ?        22.33890 7.171832 ?              ?        
1 1 1 -14 34 9  o 50.03675 4.228762 127.9751       20.51763 117.4000       55.03834 129.6819       22.11151 41.44589 12.51704 50.20641 4.548689 -8.760521      13.31791 
1 1 1 -14 34 10 o 32.87230 5.988072 58.35204       18.55777 36.74000       50.97087 61.65469       19.92533 27.60032 11.46396 33.66331 6.277917 -6.062983      13.07037 
1 1 1 -14 34 11 o 48.35465 4.455522 120.2356       20.85140 -15.90000      52.01945 146.2958       22.75985 21.91700 10.16374 53.40706 4.392550 -31.49006      11.07231 
1 1 1 -14 34 12 o 17.05666 7.616471 -3.732845      25.92274 -33.65000      48.75149 8.060287       30.60852 19.77514 9.378246 20.15668 8.650171 -0.3815422     12.75841 
1 1 1 -14 34 13 o 28.57300 8.894686 48.25307       27.52846 8.390000       50.11486 65.47903       32.94373 23.88626 10.63297 32.70371 9.638312 -8.817444      14.35121 
1 1 1 -14 34 14 o 22.89066 7.956605 28.35991       21.81502 36.43000       49.18081 26.38318       24.34058 27.20569 11.27700 22.61903 8.338821 4.586666       14.02522 
1 1 1 -14 34 15 o 64.63132 5.219229 218.2935       32.73775 0.000000       0.000000 218.2935       32.73775 ?        ?        64.63132 5.219229 ?              ?        
1 1 1 -14 34 16 o 47.38519 5.514870 118.8375       25.10160 44.73000       50.09093 143.6881       29.00653 28.38730 11.52975 51.94942 5.803411 -23.56212      12.90793 
1 1 1 -14 34 17 o 20.85472 7.477589 22.40619       19.38518 -20.05000      45.35020 31.89803       21.44292 20.02430 9.354226 23.83862 7.892871 -3.814322      12.23924 
1 1 1 -14 34 18 o 16.69369 7.004385 6.331947       19.31507 24.06000       46.46380 2.628401       21.23700 24.95542 10.68252 16.54609 7.153769 8.409327       12.85662 
1 1 1 -14 34 19 o 23.66751 7.928156 31.59139       21.62246 43.70000       47.90519 28.49343       24.23112 27.78891 11.27955 22.97940 8.344081 4.809511       14.03040 
1 1 1 -14 34 20 o 23.33059 8.409124 29.89569       24.55246 9.267000       48.30216 37.08267       28.51045 23.29259 10.39919 25.35928 9.071213 -2.066683      13.79964 
1 1 1 -14 34 21 o 57.05196 4.545866 168.7654       25.17616 101.7000       53.23737 188.0842       28.57310 37.27615 12.43938 59.97046 4.910551 -22.69432      13.37355 
1 1 1 -14 34 22 o 29.35055 8.202206 51.36934       24.47173 0.000000       0.000000 51.36934       24.47173 ?        ?        29.35055 8.202206 ?              ?        
1 1 1 -14 34 23 o 37.34962 7.005015 79.00995       24.66899 0.000000       0.000000 79.00995       24.66899 ?        ?        37.34962 7.005015 ?              ?        
1 1 1 -14 34 24 o 56.93513 4.411913 168.2085       24.39572 89.49000       54.71594 187.7399       27.25468 34.30688 12.52634 59.95499 4.681270 -25.64811      13.37249 
1 1 1 -14 34 25 o 22.66112 7.688269 29.36955       20.33289 60.14000       50.24070 23.34249       22.23521 29.52016 11.69743 21.12499 7.934531 8.395176       14.13459 
1 1 1 -14 34 26 o 29.48208 8.388128 53.33751       25.35768 20.47000       51.39058 63.91528       29.15395 24.30847 10.79732 31.86252 8.969941 -7.554050      14.03716 
1 1 1 -14 34 27 o 21.55438 7.418464 26.14757       18.94473 -13.40000      49.93845 32.79586       20.47529 20.77898 9.742042 23.63833 7.706838 -2.859356      12.42187 
1 1 1 -14 34 28 o 38.09589 6.199570 80.55165       22.32360 -24.14000      51.31876 104.9852       24.79212 20.19789 9.591272 43.77544 5.939022 -23.57755      11.28116 
1 1 1 -14 34 29 o 27.45715 9.680132 48.49247       32.36116 -46.04000      51.54397 110.0000       41.57684 18.70127 9.066466 40.39980 10.43949 -21.69853      13.82692 
1 1 1 -14 34 30 o 33.53079 11.08765 80.85000       42.31885 0.000000       0.000000 80.85000       42.31885 ?        ?        33.53079 11.08765 ?              ?        
1 1 1 -14 34 31 o 24.21425 10.65308 24.44000       48.88705 24.44000       48.88705 0.000000       0.000000 24.21425 10.65308 ?        ?        ?              ?        
1 1 1 -14 34 32 o 25.16956 10.87285 32.47000       48.97491 32.47000       48.97491 0.000000       0.000000 25.16956 10.87285 ?        ?        ?              ?        
1 1 1 -14 34 33 o 26.45104 9.542609 44.73909       31.62627 35.41000       48.64400 51.57000       41.62450 25.47711 10.91857 27.68548 10.74247 -2.208370      15.31717 
1 1 1 -14 34 34 f 27.76425 10.79678 52.82000       42.11808 0.000000       0.000000 52.82000       42.11808 ?        ?        27.76425 10.79678 ?              ?        
1 1 1 -14 34 35 o 43.51006 8.283168 115.5451       33.98886 86.13000       52.62310 136.6000       44.52135 32.66421 12.21933 44.89947 10.34334 -12.23526      16.00927 
1 1 1 -14 34 36 o 22.29233 9.092993 25.48214       31.31422 26.07000       50.29526 25.11000       40.01643 24.23543 10.72758 23.14926 9.911629 1.086166       14.60553 
1 1 1 -14 34 37 f 20.96622 8.844419 19.00403       31.05816 60.06000       51.06945 -5.093000      39.12504 28.29811 11.58571 19.18365 8.867553 9.114462       14.58979 
1 1 1 -14 34 38 o 21.69053 8.950134 24.09976       30.78728 33.04000       48.87823 18.22000       39.63884 24.46138 10.71019 21.81341 9.594885 2.647974       14.37950 
1 1 1 -14 34 39 o 24.05140 9.278686 37.18339       30.92099 33.37000       47.24881 40.04000       40.89409 24.12125 10.54645 24.76342 10.27554 -0.6421700     14.72461 
1 1 1 -14 34 40 o 22.18972 9.061123 28.35038       31.13690 -5.854000      47.79551 53.57000       41.04076 20.06957 9.447462 26.77463 10.58407 -6.705065      14.18721 
1 1 1 -14 35 1  o 16.40725 6.736675 7.420920       17.32947 -85.52000      49.14283 20.61950       18.51912 16.60777 8.212182 20.28606 7.304308 -3.678288      10.99058 
1 1 1 -14 35 2  o 41.93233 5.648812 93.39008       22.59610 87.13000       52.44698 94.81693       25.03918 35.69250 12.34070 41.86954 6.305084 -6.177044      13.85810 
1 1 1 -14 35 3  o 28.68109 7.170260 46.41871       20.07390 23.01000       50.35210 50.84233       21.88860 25.64118 11.05029 29.87822 7.497444 -4.237045      13.35367 
1 1 1 -14 35 4  f 42.93110 4.806692 95.82239       19.85240 82.27000       53.01527 98.03271       21.41019 34.73561 12.37597 43.24083 5.160203 -8.505226      13.40866 
1 1 1 -14 35 5  o 38.82373 5.155124 79.24173       19.10667 87.53000       53.73682 78.04226       20.44252 35.60661 12.48036 38.28299 5.622785 -2.676380      13.68850 
1 1 1 -14 35 6  o 21.40154 7.273235 24.43271       18.19767 0.000000       0.000000 24.43271       18.19767 ?        ?        21.40154 7.273235 ?              ?        
1 1 1 -14 35 7  o 58.14868 4.033982 172.3309       22.81809 87.06000       55.72076 189.5117       25.01143 35.29215 12.67471 60.87563 4.223672 -25.58348      13.35993 
1 1 1 -14 35 8  o 38.68543 5.187613 78.87020       19.14894 40.36000       49.81384 85.54762       20.74276 27.75992 11.41235 40.19173 5.409833 -12.43181      12.62965 
1 1 1 -14 35 9  o 24.19585 6.962576 32.81284       17.37525 32.28000       48.41947 32.89159       18.61510 26.50102 11.10274 24.18034 7.274403 2.320673       13.27357 
1 1 1 -14 35 10 o 32.80224 6.146633 58.66251       19.01047 65.28000       49.70857 57.52883       20.57453 31.65556 11.86909 32.15466 6.752301 -0.4990959     13.65536 
1 1 1 -14 35 11 o 33.04785 6.248184 59.74898       19.47142 16.53000       49.10439 67.81248       21.21021 24.51237 10.73367 35.17410 6.396036 -10.66172      12.49483 
1 1 1 -14 35 12 o 19.94227 8.734104 4.639182       32.52676 -12.17000      47.93832 18.98000       44.27887 21.25650 9.822145 24.08509 10.37091 -2.828590      14.28392 
1 1 1 -14 35 13 o 60.81946 5.298931 194.3760       31.23085 111.2000       55.04067 233.8710       37.92763 39.40563 12.61801 66.20404 5.915064 -26.79841      13.93564 
1 1 1 -14 35 14 o 60.23230 5.331560 191.0981       31.10899 77.63000       55.29720 243.6389       37.62832 33.25293 12.50784 67.69099 5.732940 -34.43807      13.75909 
1 1 1 -14 35 15 o 40.26426 5.459664 86.43903       20.96362 27.77000       50.55537 98.62190       23.03762 25.78513 11.09202 42.94712 5.614520 -17.16199      12.43205 
1 1 1 -14 35 16 o 22.34408 8.086896 26.73892       22.73593 23.42000       48.99416 27.64979       25.66691 25.04370 10.84673 22.87628 8.538673 2.167416       13.80436 
1 1 1 -14 35 17 o 52.61714 5.329151 146.5978       27.06874 50.22000       52.06205 182.3040       31.68871 28.75068 11.72561 58.49472 5.602954 -29.74405      12.99550 
1 1 1 -14 35 18 o 29.79530 8.356217 53.33061       25.35132 53.81000       48.63396 53.15176       29.70650 29.07832 11.51315 29.27641 9.257957 -0.1980858     14.77371 
1 1 1 -14 35 19 o 24.39030 8.511248 34.24613       24.97544 114.5000       47.35806 3.325954       29.39557 40.86104 11.40709 18.80093 8.266489 22.06012       14.08746 
1 1 1 -14 35 20 o 17.10798 7.289653 5.947296       21.45831 -25.67000      45.02272 15.24041       24.40900 19.12496 9.052970 19.71487 8.033176 -0.5899029     12.10323 
1 1 1 -14 35 21 o 21.39631 8.312915 22.74104       24.95055 0.000000       0.000000 22.74104       24.95055 ?        ?        21.39631 8.312915 ?              ?        
1 1 1 -14 35 22 o 15.31606 6.881927 -3.778206      21.52375 3.250000       46.10746 -5.736536      24.33840 21.80506 9.908047 15.91880 7.219632 5.886255       12.25938 
1 1 1 -14 35 23 o 19.59172 7.648934 17.96350       21.20566 34.04000       49.21318 14.29801       23.49911 25.69960 10.99739 19.19502 7.858910 6.504572       13.51685 
1 1 1 -14 35 24 o 33.37820 6.871546 63.89477       21.70188 64.56000       52.57021 63.75812       23.82691 29.91154 11.92868 32.83662 7.568402 -2.925081      14.12707 
1 1 1 -14 35 25 o 18.49580 7.370793 14.59515       20.05740 -46.32000      49.90140 26.33263       21.90472 18.36164 8.906281 21.78281 7.929911 -3.421177      11.92499 
1 1 1 -14 35 26 o 20.12120 8.117810 17.88881       24.64312 48.14000       49.26208 7.791878       28.46008 27.47994 11.32844 19.01256 8.250595 8.467379       14.01449 
1 1 1 -14 35 27 o 20.43587 7.627753 21.99944       20.48261 -46.81000      47.18361 37.97732       22.73667 17.74998 8.621385 25.06132 8.117646 -7.311346      11.84164 
1 1 1 -14 35 28 o 23.97984 9.217026 33.42511       30.43191 -4.785000      48.24757 58.67000       39.21688 21.11311 9.790039 29.16484 10.61152 -8.051729      14.43777 
1 1 1 -14 35 29 o 23.43729 9.169149 30.98012       30.52398 36.12000       49.13539 27.75000       38.95180 25.58789 10.96996 23.61558 9.930126 1.972317       14.79687 
1 1 1 -14 35 30 o 20.43623 8.845004 12.61653       32.53371 -41.16000      47.79955 59.03000       44.40679 18.16874 8.789771 28.90223 11.12751 -10.73348      14.18033 
1 1 1 -14 35 31 o 20.16160 9.478127 -13.99000      47.82346 -13.99000      47.82346 0.000000       0.000000 20.16160 9.478127 ?        ?        ?              ?        
1 1 1 -14 35 32 o 34.82931 11.29778 90.10000       44.03139 0.000000       0.000000 90.10000       44.03139 ?        ?        34.82931 11.29778 ?              ?        
1 1 1 -14 35 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -14 35 34 o 18.46902 8.307126 1.126657       31.45161 49.64000       50.06097 -30.51000      40.42630 27.10813 11.31837 17.28917 8.292479 9.818960       14.03106 
1 1 1 -14 35 35 o 20.60283 8.803911 16.52954       31.45865 -46.60000      50.72773 55.98000       40.10099 18.11987 8.832144 27.98639 10.62346 -9.866528      13.81538 
1 1 1 -14 35 36 o 27.67216 9.703250 52.82174       32.48489 26.37000       51.21254 70.63000       42.02038 23.88159 10.68180 30.41816 10.99606 -6.536570      15.33017 
1 1 1 -14 35 37 o 22.95161 9.108819 31.68723       30.50962 61.57000       47.74249 11.06000       39.66570 28.04084 11.30400 20.76394 9.335057 7.276909       14.66028 
1 1 1 -14 35 38 o 20.19080 8.613653 17.41684       30.02517 -10.79000      45.69997 38.84000       39.82726 19.39199 9.161833 24.41619 10.13683 -5.024191      13.66362 
1 1 1 -14 36 1  o 31.85396 7.025968 57.16189       21.31739 32.13000       48.61819 63.11973       23.71898 26.35590 11.08892 33.24719 7.471017 -6.891294      13.37087 
1 1 1 -14 36 2  o 67.34978 4.288447 232.5605       28.12424 198.5000       56.16113 243.9611       32.49194 56.25327 10.58800 68.53816 4.875075 -12.28489      11.65642 
1 1 1 -14 36 3  o 33.66870 5.813873 61.25036       18.46767 46.45000       48.09667 63.80976       20.00083 28.37649 11.37829 34.16454 6.209555 -5.788054      12.96241 
1 1 1 -14 36 4  f 25.19702 7.329017 36.16491       19.15724 0.000000       0.000000 36.16491       19.15724 ?        ?        25.19702 7.329017 ?              ?        
1 1 1 -14 36 5  o 25.93750 7.245593 38.35564       19.10036 0.000000       0.000000 38.35564       19.10036 ?        ?        25.93750 7.245593 ?              ?        
1 1 1 -14 36 6  o 40.26261 5.047133 85.28603       19.45497 24.46000       48.90208 96.72334       21.20532 25.31159 10.89896 42.84313 5.160376 -17.53154      12.05889 
1 1 1 -14 36 7  o 40.34716 5.221889 86.08582       20.13954 32.90000       49.65059 96.55990       22.03356 26.45260 11.17195 42.65649 5.397731 -16.20389      12.40757 
1 1 1 -14 36 8  o 26.94605 6.922195 41.16232       18.35341 46.95000       48.80488 40.20902       19.80734 28.33297 11.42649 26.45673 7.373995 1.876238       13.59928 
1 1 1 -14 36 9  o 23.86116 7.337626 32.36510       18.80058 -28.32000      46.69828 44.10386       20.53860 19.45903 9.213703 27.63921 7.431698 -8.180182      11.83733 
1 1 1 -14 36 10 o 29.71893 7.461232 51.04308       21.66980 26.78000       47.25308 57.50461       24.38513 25.23864 10.78756 31.28488 7.948473 -6.046246      13.39961 
1 1 1 -14 36 11 o 29.48036 6.795373 49.07644       19.20690 68.84000       47.48051 45.20962       21.00197 31.82268 11.66089 27.92086 7.518394 3.901819       13.87453 
1 1 1 -14 36 12 o 39.18629 7.324204 87.30260       27.06051 76.05000       48.97831 92.24676       32.46562 32.98837 11.87865 39.22572 8.685101 -6.237354      14.71507 
1 1 1 -14 36 13 o 33.50499 8.129374 66.56711       26.38596 76.98000       48.79740 62.26456       31.36706 33.05107 11.86224 31.49148 9.435755 1.559595       15.15738 
1 1 1 -14 36 14 o 26.02590 8.703768 40.40876       26.06139 -3.509000      47.73609 59.05712       31.10621 21.68842 9.941097 30.63300 9.441567 -8.944572      13.71017 
1 1 1 -14 36 15 o 36.86501 7.914967 79.64499       27.70708 53.07000       49.14558 92.02729       33.54661 28.89008 11.52951 38.77155 9.011343 -9.881475      14.63332 
1 1 1 -14 36 16 o 41.22601 8.882886 103.3494       34.78670 56.76000       50.01698 147.0000       48.41382 29.38221 11.66219 47.36215 10.69677 -17.97994      15.82490 
1 1 1 -14 36 17 o 27.31158 9.120600 46.10921       28.61890 37.68000       48.33338 50.66000       35.51377 26.36819 11.07294 28.16400 10.11828 -1.795815      14.99965 
1 1 1 -14 36 18 f 23.52662 7.943701 32.10433       21.70513 31.37000       47.18124 32.30146       24.44547 25.31055 10.79772 23.65781 8.406474 1.652739       13.68428 
1 1 1 -14 36 19 o 38.48513 6.384955 82.67847       23.20977 18.29000       48.83136 101.4701       26.38010 23.74605 10.53751 42.58363 6.537464 -18.83758      12.40071 
1 1 1 -14 36 20 o 21.70790 8.348469 24.66825       24.97648 0.000000       0.000000 24.66825       24.97648 ?        ?        21.70790 8.348469 ?              ?        
1 1 1 -14 36 21 o 32.16241 7.420120 60.92658       22.88424 39.45000       47.59393 67.38485       26.09919 26.14554 10.98420 33.35498 8.080161 -7.209438      13.63604 
1 1 1 -14 36 22 o 29.71720 7.772657 53.19102       22.86271 36.60000       48.38527 57.96007       25.94134 25.72561 10.95341 30.57742 8.407103 -4.851812      13.80785 
1 1 1 -14 36 23 o 28.34797 7.736857 48.34438       22.06318 19.01000       47.92093 56.23522       24.85411 23.55575 10.44671 30.28796 8.188860 -6.732208      13.27370 
1 1 1 -14 36 24 o 15.06872 6.742647 -2.674466      20.42735 26.37000       49.05555 -8.767242      22.46798 24.53253 10.73576 14.81959 6.802868 9.712945       12.70967 
1 1 1 -14 36 25 o 16.66186 7.369127 1.150058       23.68565 7.878000       47.92146 -1.024841      27.24636 22.23175 10.10159 17.28693 7.757184 4.944818       12.73641 
1 1 1 -14 36 26 o 28.28867 9.446597 52.28996       30.70135 95.42000       48.52964 23.51000       39.64261 35.27479 11.87801 23.05853 9.868833 12.21625       15.44283 
1 1 1 -14 36 27 o 13.04710 6.072003 -11.65064      18.82277 16.42000       46.45018 -17.16565      20.58895 22.88784 10.20956 12.99857 6.143723 9.889275       11.91555 
1 1 1 -14 36 28 o 26.42030 9.438638 44.87276       30.85667 60.34000       48.66010 34.47000       39.90624 28.90312 11.49290 24.65861 10.18377 4.244511       15.35565 
1 1 1 -14 36 29 f 20.19627 9.433369 -9.622000      46.09702 -9.622000      46.09702 0.000000       0.000000 20.19627 9.433369 ?        ?        ?              ?        
1 1 1 -14 36 30 o 33.40390 9.443385 73.87209       32.24296 53.27000       48.64133 90.02000       43.06335 27.67974 11.31674 34.90545 11.15933 -7.225708      15.89337 
1 1 1 -14 36 31 o 25.98140 10.42281 43.79000       40.37782 0.000000       0.000000 43.79000       40.37782 ?        ?        25.98140 10.42281 ?              ?        
1 1 1 -14 36 32 o 20.74844 8.855795 16.58460       31.76407 1.825000       51.18283 25.83000       40.50883 21.81357 10.10393 23.20902 9.955515 -1.395452      14.18456 
1 1 1 -14 36 33 o 29.70801 9.762843 60.98223       32.82791 39.54000       52.23488 74.98000       42.20414 25.57177 11.13639 31.45166 11.05751 -5.879883      15.69356 
1 1 1 -14 36 34 f 21.77471 9.625285 17.29000       40.35728 0.000000       0.000000 17.29000       40.35728 ?        ?        21.77471 9.625285 ?              ?        
1 1 1 -14 36 35 o 23.35881 10.41525 25.92000       48.28757 25.92000       48.28757 0.000000       0.000000 23.35881 10.41525 ?        ?        ?              ?        
1 1 1 -14 36 36 o 13.89543 6.773759 -36.50740      29.86067 -44.96000      44.96735 -29.84000      39.93744 16.79683 8.214939 16.81365 8.109612 -0.1682281E-01 11.54344 
1 1 1 -14 36 37 o 25.00391 10.80163 43.85000       48.33834 43.85000       48.33834 0.000000       0.000000 25.00391 10.80163 ?        ?        ?              ?        
1 1 1 -14 37 1  o 42.27149 5.617253 95.87249       22.66747 41.93000       48.39663 111.0312       25.65549 27.32061 11.24209 45.31597 5.925757 -17.99535      12.70824 
1 1 1 -14 37 2  o 48.65534 4.960667 124.3422       23.29514 49.18000       50.18749 144.9825       26.29990 28.46575 11.54848 52.40093 5.195892 -23.93518      12.66352 
1 1 1 -14 37 3  o 37.50446 6.013500 76.69336       21.33003 0.000000       0.000000 76.69336       21.33003 ?        ?        37.50446 6.013500 ?              ?        
1 1 1 -14 37 4  o 21.67829 7.538089 25.65704       19.58138 0.000000       0.000000 25.65704       19.58138 ?        ?        21.67829 7.538089 ?              ?        
1 1 1 -14 37 5  o 55.03247 4.119332 155.6573       22.02872 101.2000       51.86101 167.6458       24.33296 37.24324 12.27243 56.93353 4.400502 -19.69029      13.03752 
1 1 1 -14 37 6  f 31.07806 6.242698 53.58263       18.33037 -9.246000      47.35822 64.65384       19.87989 21.07892 9.748010 34.26736 6.153011 -13.18845      11.52750 
1 1 1 -14 37 7  o 12.39521 6.074119 -41.16727      24.95012 -75.73000      44.61245 -25.43677      30.09701 15.77848 7.806171 15.46807 7.345214 0.3104105      10.71860 
1 1 1 -14 37 8  o 24.19588 7.307179 33.71791       18.75711 91.42000       47.60138 23.11153       20.40833 35.79030 11.75585 20.97323 7.651362 14.81707       14.02652 
1 1 1 -14 37 9  o 17.59020 7.054811 11.71099       18.49404 -5.174000      45.11361 15.12177       20.27609 21.01659 9.644665 18.84872 7.442997 2.167870       12.18268 
1 1 1 -14 37 10 o 47.12922 4.958745 117.0050       22.53303 38.82000       48.06351 139.0302       25.51020 26.66044 11.10767 51.26782 5.153325 -24.60737      12.24488 
1 1 1 -14 37 11 o 45.27541 5.043239 108.4004       21.97108 53.86000       48.34668 122.5959       24.66518 28.85208 11.46128 47.96301 5.344464 -19.11093      12.64611 
1 1 1 -14 37 12 o 21.03847 7.489932 23.94048       19.41410 -0.8478000     44.99129 29.61208       21.52079 21.31626 9.725177 22.83709 7.904672 -1.520823      12.53247 
1 1 1 -14 37 13 o 26.05851 7.524674 39.97592       20.26092 -5.179000      45.60075 51.08267       22.61585 20.93977 9.641251 29.30743 7.761821 -8.367661      12.37738 
1 1 1 -14 37 14 o 33.78110 8.169735 68.85545       26.71536 110.6000       47.77976 49.86896       32.22304 39.21060 11.62077 27.93375 9.672298 11.27685       15.11938 
1 1 1 -14 37 15 f 24.60373 9.526509 35.06504       32.68236 -3.643000      45.20887 77.44000       47.30180 20.87878 9.608288 32.42997 11.67409 -11.55120      15.11964 
1 1 1 -14 37 16 o 28.39162 8.163790 49.26241       23.89626 11.27000       46.56207 62.84720       27.84264 22.58534 10.13723 31.69569 8.707829 -9.110357      13.36375 
1 1 1 -14 37 17 o 37.85083 7.126573 82.61007       25.43501 2.200000       47.70692 114.5439       30.06432 21.79613 9.970778 44.72340 7.105042 -22.92727      12.24329 
1 1 1 -14 37 18 o 26.31489 8.547379 42.87661       25.19761 0.000000       0.000000 42.87661       25.19761 ?        ?        26.31489 8.547379 ?              ?        
1 1 1 -14 37 19 o 25.37004 8.121482 39.15757       22.80315 -17.87000      49.16838 54.78481       25.73858 20.14433 9.513011 29.63746 8.456997 -9.493128      12.72864 
1 1 1 -14 37 20 o 24.12658 8.101517 34.84409       22.57712 -17.34000      46.10106 51.30851       25.89495 19.66266 9.262884 28.62144 8.572701 -8.958780      12.62110 
1 1 1 -14 37 21 o 15.65364 6.989923 -1.800039      21.83288 42.44000       45.23153 -15.23865      24.92934 26.33779 10.85611 14.77423 6.912689 11.56356       12.87013 
1 1 1 -14 37 22 o 50.21373 5.021479 134.4762       24.35016 45.41000       50.02253 162.1352       27.87582 26.79970 11.26011 54.97126 5.244144 -28.17156      12.42140 
1 1 1 -14 37 23 o 25.76312 7.915349 40.44283       21.88372 79.06000       47.78672 30.19519       24.61666 32.14525 11.71105 22.82445 8.390882 9.320797       14.40679 
1 1 1 -14 37 24 o 21.69192 7.793226 26.73123       21.06783 9.308000       49.27159 30.62942       23.30578 22.45287 10.21801 22.86260 8.198783 -0.4097309     13.10068 
1 1 1 -14 37 25 o 32.82626 7.960395 65.76984       25.31091 68.85000       50.50307 64.73666       29.24948 30.06822 11.78506 31.64001 9.011083 -1.571796      14.83534 
1 1 1 -14 37 26 o 13.25882 6.233726 -15.23985      20.69619 -60.47000      46.18344 -3.874265      23.15092 16.58949 8.156559 15.66074 7.077964 0.9287500      10.79940 
1 1 1 -14 37 27 o 45.63932 8.078885 125.7745       34.77032 127.3000       52.71801 124.6000       46.25816 40.27137 12.26873 41.64600 11.13337 -1.374630      16.56725 
1 1 1 -14 37 28 o 26.48887 11.06093 46.04000       47.81672 46.04000       47.81672 0.000000       0.000000 26.48887 11.06093 ?        ?        ?              ?        
1 1 1 -14 37 29 o 20.63941 8.767807 16.98931       30.88043 -18.34000      48.67350 40.79000       39.95027 19.72230 9.358297 25.39091 10.30263 -5.668612      13.91840 
1 1 1 -14 37 30 o 34.32748 11.09953 88.18000       42.51979 0.000000       0.000000 88.18000       42.51979 ?        ?        34.32748 11.09953 ?              ?        
1 1 1 -14 37 31 o 17.77830 8.067409 -1.274012      30.44100 7.076000       49.30368 -6.418000      38.69775 21.82890 10.04133 18.89160 8.762646 2.937300       13.32712 
1 1 1 -14 37 32 o 25.27437 9.459846 42.21279       31.54769 74.07000       50.98618 22.45000       40.15805 29.98160 11.81398 22.36887 9.752669 7.612736       15.31942 
1 1 1 -14 37 33 o 18.95831 8.357970 8.904432       30.23685 47.46000       47.97163 -16.51000      38.94764 25.92449 10.96675 17.79121 8.421166 8.133274       13.82699 
1 1 1 -14 37 34 o 20.06483 8.617142 16.75324       30.41740 7.751000       46.91858 23.28000       39.95016 21.10214 9.738823 22.08505 9.675900 -0.9829178     13.72835 
1 1 1 -14 37 35 o 15.23599 7.245655 -19.36653      29.50155 -66.12000      45.24594 15.21000       38.91019 15.62149 7.751798 20.85937 9.321778 -5.237885      12.12378 
1 1 1 -14 38 1  o 33.03075 6.239607 60.72374       19.43439 -37.37000      48.51422 79.47414       21.21064 18.84754 9.051502 38.13871 5.869681 -19.29117      10.78809 
1 1 1 -14 38 2  o 39.37278 6.442200 86.32275       23.96987 0.000000       0.000000 86.32275       23.96987 ?        ?        39.37278 6.442200 ?              ?        
1 1 1 -14 38 3  o 40.94947 5.565461 90.56143       21.73092 75.96000       47.19850 94.48932       24.47993 32.45055 11.66388 41.36548 6.239903 -8.914928      13.22809 
1 1 1 -14 38 4  o 20.04794 7.191113 21.26945       17.93020 -25.65000      42.99372 31.14799       19.72764 18.58226 8.810930 23.22176 7.564400 -4.639498      11.61261 
1 1 1 -14 38 5  o 29.54280 9.468274 55.91325       30.98649 47.14000       43.81715 64.69000       43.82589 27.41048 10.90384 30.51862 11.19983 -3.108143      15.63105 
1 1 1 -14 38 6  o 14.38753 6.265324 0.7822341      16.53115 -38.55000      41.83514 8.060096       17.99570 17.29804 8.332382 16.48603 6.826457 0.8120060      10.77168 
1 1 1 -14 38 7  o 21.48680 7.393512 25.80949       18.81716 19.17000       44.58038 27.24886       20.75685 23.37464 10.23158 22.03215 7.753904 1.342491       12.83776 
1 1 1 -14 38 8  o 13.90321 6.249490 -4.110676      17.76855 -6.197000      44.12421 -3.706871      19.41208 20.46496 9.444616 14.58175 6.545122 5.883209       11.49084 
1 1 1 -14 38 9  o 20.34216 7.327923 22.22987       18.64161 -39.60000      43.82360 35.88944       20.59811 17.59220 8.487585 24.60219 7.699437 -7.009985      11.45951 
1 1 1 -14 38 10 o 13.70103 6.265526 -7.585215      18.81741 -43.52000      43.49369 0.6901909      20.87197 17.21776 8.342793 15.80306 6.956388 1.414701       10.86248 
1 1 1 -14 38 11 o 23.32955 7.516092 31.89615       19.50828 49.13000       45.26326 27.96450       21.61932 27.44030 11.02593 22.18805 7.903382 5.252256       13.56593 
1 1 1 -14 38 12 o 28.25118 7.225276 46.97849       20.05706 26.03000       46.23541 51.83452       22.26070 24.21308 10.51168 29.41800 7.657473 -5.204926      13.00509 
1 1 1 -14 38 13 o 36.24010 6.286232 73.59356       21.49100 15.88000       48.12170 87.97227       24.01939 23.17723 10.36147 39.58368 6.418916 -16.40645      12.18863 
1 1 1 -14 38 14 o 36.76881 7.183911 78.64395       24.92763 61.42000       48.56425 84.80521       29.04593 29.21851 11.52483 37.35784 8.171195 -8.139326      14.12764 
1 1 1 -14 38 15 o 16.85177 7.546523 -1.035323      25.64367 27.53000       45.99134 -13.92255      30.89130 24.22262 10.50003 16.62102 7.749808 7.601597       13.05029 
1 1 1 -14 38 16 o 22.09002 7.904943 27.86821       21.65290 -36.70000      47.96347 44.39580       24.26643 18.50184 8.914665 26.75806 8.354393 -8.256218      12.21749 
1 1 1 -14 38 17 o 20.64083 8.673498 16.71948       29.68613 0.000000       0.000000 16.71948       29.68613 ?        ?        20.64083 8.673498 ?              ?        
1 1 1 -14 38 18 o 17.14340 7.566107 2.178374       24.84278 -14.53000      46.03162 9.044915       29.50925 19.84025 9.318185 19.32382 8.393364 0.5164261      12.54102 
1 1 1 -14 38 19 o 29.14975 7.911153 52.01913       23.14451 -23.06000      47.52212 75.36499       26.49971 19.33187 9.194237 35.31692 7.867347 -15.98504      12.10079 
1 1 1 -14 38 20 o 27.85320 7.907510 47.56285       22.55951 65.17000       46.55722 42.16035       25.78935 29.68687 11.40302 25.91472 8.658067 3.772156       14.31750 
1 1 1 -14 38 21 o 23.86954 8.051284 34.39823       22.29700 26.27000       46.70870 36.79710       25.37481 23.97834 10.48493 24.47909 8.576444 -0.5007534     13.54582 
1 1 1 -14 38 22 o 18.12181 7.522766 11.84520       21.93122 -35.13000      45.14000 26.35982       25.09169 17.93939 8.644828 21.84449 8.376204 -3.905098      12.03719 
1 1 1 -14 38 23 f 46.49857 5.347730 117.1011       23.89706 67.23000       48.80045 132.8322       27.40813 29.79177 11.61141 49.13938 5.810553 -19.34761      12.98412 
1 1 1 -14 38 24 o 22.56478 7.795824 30.04932       20.92820 23.38000       44.92518 31.89778       23.65127 23.36912 10.24896 23.12524 8.263239 0.2438812      13.16519 
1 1 1 -14 38 25 o 27.79133 9.545553 51.56595       31.36134 33.11000       48.23621 65.08000       41.27602 24.81286 10.75457 29.85443 10.88291 -5.041565      15.30028 
1 1 1 -14 38 26 o 40.21625 7.058543 94.45712       26.77279 110.6000       50.74379 88.23000       31.51637 36.99888 12.13686 37.14545 8.803469 -0.1465683     14.99348 
1 1 1 -14 38 27 o 19.55762 8.528719 10.66972       30.72431 23.87000       48.88528 2.051000       39.50100 23.59386 10.50233 19.98855 9.116768 3.605312       13.90735 
1 1 1 -14 38 28 o 25.04425 10.30794 39.10000       40.70096 0.000000       0.000000 39.10000       40.70096 ?        ?        25.04425 10.30794 ?              ?        
1 1 1 -14 38 29 o 32.43351 11.11218 81.26000       42.49305 0.000000       0.000000 81.26000       42.49305 ?        ?        32.43351 11.11218 ?              ?        
1 1 1 -14 38 30 o 37.46803 9.197488 93.39039       33.47781 81.94000       52.98309 101.0000       43.19250 30.84936 12.07694 36.30434 11.11394 -5.454981      16.41256 
1 1 1 -14 38 31 o 26.27478 9.472770 47.78994       31.15884 41.73000       48.26611 52.12000       40.79948 25.07469 10.81266 26.61784 10.54317 -1.543154      15.10205 
1 1 1 -14 38 32 o 22.38318 9.014368 30.19681       30.32813 5.514000       46.29054 48.76000       40.14406 20.75461 9.611849 25.82113 10.38080 -5.066515      14.14739 
1 1 1 -14 38 33 o 15.73088 7.409423 -14.25453      29.47550 -23.72000      45.38754 -7.351000      38.76155 18.17046 8.733749 18.37621 8.605028 -0.2057514     12.26070 
1 1 1 -14 39 1  o 43.94896 8.546932 118.1384       35.44336 0.000000       0.000000 118.1384       35.44336 ?        ?        43.94896 8.546932 ?              ?        
1 1 1 -14 39 2  o 14.95310 6.497601 1.842151       17.69955 -48.58000      43.75718 11.70589       19.35350 16.89277 8.227084 17.60493 7.160668 -0.7121525     10.90688 
1 1 1 -14 39 3  o 19.40196 7.518741 18.19310       20.37096 -0.9714000     43.50198 23.57591       23.05497 20.71113 9.491967 21.12212 8.046277 -0.4109879     12.44347 
1 1 1 -14 39 4  o 31.07755 6.987027 56.14484       20.73636 -34.06000      45.18029 80.21778       23.33988 18.17583 8.730487 37.63872 6.574281 -19.46289      10.92898 
1 1 1 -14 39 5  o 26.04546 7.100622 39.92113       18.59560 10.24000       44.40182 46.23439       20.47799 22.01842 9.889690 27.87366 7.387602 -5.855244      12.34434 
1 1 1 -14 39 6  o 20.29024 7.249215 22.51265       18.20206 49.93000       44.25714 16.93080       19.96914 27.37620 10.93583 18.98396 7.419408 8.392246       13.21514 
1 1 1 -14 39 7  f 23.94320 7.512209 34.06297       19.59595 -72.49000      43.84523 60.65971       21.90553 15.49140 7.677398 32.18312 7.140519 -16.69173      10.48472 
1 1 1 -14 39 8  o 44.80901 5.051746 107.4262       21.77137 60.01000       47.47338 120.0545       24.49960 28.91000 11.39728 47.10698 5.411507 -18.19698      12.61675 
1 1 1 -14 39 9  o 12.09236 5.725857 -16.36333      18.03816 -6.882000      43.55081 -18.32668      19.81797 20.02543 9.291082 12.56054 5.963331 7.464887       11.04018 
1 1 1 -14 39 10 o 24.23907 7.571409 35.11114       19.92860 127.4000       47.21236 15.10279       21.98298 42.16128 11.23703 18.89610 7.651483 23.26518       13.59470 
1 1 1 -14 39 11 o 12.67048 5.941711 -13.71272      18.59313 -50.83000      44.10874 -5.692347      20.50378 16.75988 8.183792 14.55134 6.610133 2.208546       10.51990 
1 1 1 -14 39 12 o 15.75102 7.020987 -1.147665      21.92586 18.82000       45.88994 -7.054416      24.95906 23.12294 10.24049 15.78774 7.218324 7.335200       12.52884 
1 1 1 -14 39 13 o 17.85402 7.613404 8.426990       23.43851 39.02000       46.22661 -2.159668      27.19320 25.73562 10.81944 17.08906 7.702063 8.646561       13.28089 
1 1 1 -14 39 14 o 18.19066 7.364864 13.50040       20.36386 13.34000       45.78348 13.53996       22.73673 22.43194 10.06153 18.69447 7.700391 3.737471       12.67006 
1 1 1 -14 39 15 o 19.07487 8.384187 7.156734       30.21583 0.000000       0.000000 7.156734       30.21583 ?        ?        19.07487 8.384187 ?              ?        
1 1 1 -14 39 16 o 14.31030 6.765099 -18.72855      24.98824 -43.57000      45.81079 -8.206815      29.81418 17.50319 8.500020 16.91486 7.790855 0.5883293      11.53030 
1 1 1 -14 39 17 o 18.37397 7.875833 9.258885       25.31830 45.49000       46.19127 -6.300852      30.27054 26.48036 10.94821 17.26580 7.914814 9.214567       13.50954 
1 1 1 -14 39 18 o 27.93986 8.623391 49.83073       25.93797 -17.92000      46.48512 80.46148       31.25617 19.45196 9.205102 35.30552 9.014434 -15.85356      12.88386 
1 1 1 -14 39 19 f 42.02615 6.080393 98.61233       24.28649 68.76000       48.79763 108.4416       28.00078 29.93209 11.62656 43.45526 6.806229 -13.52317      13.47226 
1 1 1 -14 39 20 o 18.91781 7.669522 15.50190       22.11725 8.680000       44.66612 17.71792       25.45732 21.61210 9.793237 19.96360 8.177405 1.648499       12.75843 
1 1 1 -14 39 21 o 19.83309 7.807762 19.45141       22.25126 50.74000       45.12975 9.402229       25.57614 27.11253 10.96868 18.40112 7.902145 8.711405       13.51872 
1 1 1 -14 39 22 o 48.77515 5.146099 128.1704       24.19884 76.37000       48.73082 145.1249       27.87918 31.12066 11.73394 51.48267 5.623745 -20.36201      13.01199 
1 1 1 -14 39 23 o 30.12403 7.645198 55.45686       22.57709 17.81000       46.36090 67.16060       25.84936 22.66231 10.14786 32.85479 8.092064 -10.19248      12.97924 
1 1 1 -14 39 24 o 14.79386 6.689938 -3.864994      20.71650 -26.41000      45.77931 1.940768       23.23131 18.51218 8.864528 16.48257 7.293573 2.029608       11.47938 
1 1 1 -14 39 25 o 18.83003 8.992819 -23.70000      46.44589 -23.70000      46.44589 0.000000       0.000000 18.83003 8.992819 ?        ?        ?              ?        
1 1 1 -14 39 26 o 35.52464 9.428291 84.94208       33.32503 55.47000       52.52417 104.8000       43.11424 27.36144 11.51967 37.44831 11.02341 -10.08686      15.94423 
1 1 1 -14 39 27 o 24.11638 10.11580 35.30000       40.26776 0.000000       0.000000 35.30000       40.26776 ?        ?        24.11638 10.11580 ?              ?        
1 1 1 -14 39 28 f 37.26448 9.250411 93.39231       33.58379 93.57000       52.59673 93.27000       43.63743 32.51223 12.20510 34.27603 11.25558 -1.763805      16.60279 
1 1 1 -14 39 29 o 19.27743 8.451569 11.51660       30.52601 11.92000       47.86269 11.24000       39.63304 21.61802 9.925655 20.57801 9.284285 1.040012       13.59105 
1 1 1 -14 39 30 o 15.39731 7.291592 -16.82541      29.26736 -38.57000      45.12540 -1.037000      38.45162 17.10230 8.334825 18.91760 8.760811 -1.815300      12.09219 
1 1 1 -14 39 31 o 19.48402 8.483765 14.26415       30.30353 2.765000       46.19568 22.95000       40.14901 20.32086 9.475627 21.81424 9.623429 -1.493385      13.50548 
1 1 1 -14 40 1  o 14.92902 6.710274 -3.226321      20.48267 -32.01000      43.46816 4.988908       23.22244 17.88468 8.583537 17.14953 7.447398 0.7351494      11.36402 
1 1 1 -14 40 2  o 14.54094 6.904996 -21.60638      26.59832 -13.20000      43.06720 -26.79002      33.81892 19.34021 9.060922 16.08656 7.680134 3.253653       11.87791 
1 1 1 -14 40 3  o 15.97237 6.806614 5.427916       18.71280 -50.72000      44.13271 17.73521       20.66213 16.75360 8.181870 19.26216 7.541508 -2.508556      11.12732 
1 1 1 -14 40 4  o 22.51548 7.344483 29.67103       18.59398 31.42000       44.25353 29.29606       20.49047 24.48861 10.45251 22.40343 7.714996 2.085175       12.99139 
1 1 1 -14 40 5  o 27.24902 7.481706 44.62321       20.56078 -41.86000      43.68333 69.23494       23.30349 17.22717 8.350571 34.38657 7.156643 -17.15940      10.99771 
1 1 1 -14 40 6  o 14.69626 6.486304 -0.2132157     18.25937 -30.74000      42.64049 6.641394       20.20566 17.79749 8.531063 16.64683 7.082755 1.150661       11.08803 
1 1 1 -14 40 7  o 18.16016 7.250868 14.25962       19.44692 41.93000       44.30192 7.655257       21.64364 25.94523 10.72399 17.22055 7.328781 8.724678       12.98903 
1 1 1 -14 40 8  o 16.94711 7.041709 9.384475       19.24150 8.032000       43.54406 9.712643       21.44925 21.44639 9.698583 17.56486 7.376279 3.881536       12.18491 
1 1 1 -14 40 9  o 17.51087 7.107771 12.10566       19.02268 -1.084000      43.38731 15.24446       21.16545 20.43967 9.408580 18.69558 7.530091 1.744093       12.05088 
1 1 1 -14 40 10 o 26.11616 7.569349 41.39872       20.46721 44.53000       45.54952 40.60655       22.91035 26.22269 10.85959 25.59010 8.134922 0.6325951      13.56863 
1 1 1 -14 40 11 o 23.00888 8.158018 31.58012       23.01069 55.82000       45.36917 23.18515       26.69963 27.97239 11.10567 21.26842 8.494670 6.703968       13.98197 
1 1 1 -14 40 12 f 30.75920 7.105427 55.88407       20.96226 63.71000       47.20100 53.96134       23.39606 29.20975 11.40947 29.59953 7.919956 -0.3897800     13.88890 
1 1 1 -14 40 13 o 15.25780 6.825757 -1.746585      20.92171 -102.9000      48.68682 21.16278       23.17009 15.04317 7.551327 20.36455 7.982255 -5.321374      10.98813 
1 1 1 -14 40 14 o 32.93504 7.813536 66.23100       24.80692 0.000000       0.000000 66.23100       24.80692 ?        ?        32.93504 7.813536 ?              ?        
1 1 1 -14 40 15 o 20.46006 8.351270 19.62595       26.43569 -45.17000      46.51062 50.54824       32.13025 17.46298 8.499656 27.41572 9.647221 -9.952738      12.85741 
1 1 1 -14 40 16 o 21.21857 8.425035 23.48817       26.11276 51.34000       46.06813 10.30327       31.69657 27.15449 11.04669 19.72914 8.631807 7.425354       14.01918 
1 1 1 -14 40 17 o 20.32509 7.836801 21.73659       22.04884 -78.24000      44.47411 54.31729       25.38857 15.20463 7.568328 29.23045 8.417895 -14.02582      11.31992 
1 1 1 -14 40 18 o 42.64501 6.764888 104.6573       27.29646 50.51000       48.01648 130.5114       33.17926 26.98093 11.15948 46.96613 7.466999 -19.98519      13.42721 
1 1 1 -14 40 19 o 33.76386 7.306555 67.98022       23.44520 42.00000       45.63277 77.29777       27.32788 25.66869 10.76788 35.36988 8.072024 -9.701195      13.45752 
1 1 1 -14 40 20 o 20.47103 7.924131 22.40504       22.60782 15.50000       45.69411 24.64323       26.01509 22.24208 10.00780 21.34058 8.429604 0.9014969      13.08489 
1 1 1 -14 40 21 o 48.62337 5.331661 128.8194       24.95978 121.4000       50.70229 131.1926       28.67503 38.79408 12.07046 48.22805 6.218934 -9.433968      13.57834 
1 1 1 -14 40 22 o 19.71913 7.757236 19.68119       21.95016 49.50000       47.27309 11.48523       24.78385 26.58332 11.04081 18.48758 7.854274 8.095741       13.54950 
1 1 1 -14 40 23 o 29.83723 8.330724 56.95148       25.25678 65.87000       49.43420 53.80104       29.38098 28.87374 11.54978 28.22645 9.233846 0.6472950      14.78720 
1 1 1 -14 40 24 o 15.44640 7.381238 -23.90365      31.38917 3.558000       47.91449 -44.55000      41.54561 21.08284 9.769126 16.26081 7.940606 4.822031       12.58924 
1 1 1 -14 40 25 o 26.59799 10.73704 52.12000       43.13842 0.000000       0.000000 52.12000       43.13842 ?        ?        26.59799 10.73704 ?              ?        
1 1 1 -14 40 26 o 27.79501 10.98250 60.99000       44.17080 0.000000       0.000000 60.99000       44.17080 ?        ?        27.79501 10.98250 ?              ?        
1 1 1 -14 40 27 f 26.97336 9.561225 52.21803       31.60556 66.56000       49.28456 42.20000       41.19056 28.04930 11.42018 24.66833 10.28068 3.380974       15.36597 
1 1 1 -14 40 28 o 22.37516 9.010299 31.06950       30.29769 63.29000       47.06055 8.261000       39.59490 27.49987 11.17324 19.99701 9.123302 7.502857       14.42484 
1 1 1 -14 40 29 o 18.74064 8.948447 -14.26000      45.94314 -14.26000      45.94314 0.000000       0.000000 18.74064 8.948447 ?        ?        ?              ?        
1 1 1 -14 41 1  o 37.11987 5.917902 76.82601       20.78065 82.68000       46.88420 75.39479       23.18218 32.47509 11.63074 36.07507 6.814780 -3.599972      13.48018 
1 1 1 -14 41 2  o 17.05903 7.209605 8.394198       20.70022 0.000000       0.000000 8.394198       20.70022 ?        ?        17.05903 7.209605 ?              ?        
1 1 1 -14 41 3  o 18.91411 8.089724 11.23514       26.60584 17.79000       43.92250 7.435968       33.43875 22.47656 9.982902 19.63490 8.716175 2.841661       13.25255 
1 1 1 -14 41 4  o 15.75416 7.006353 -0.1000103     21.70685 -51.86000      42.97753 17.62584       25.15058 16.31060 7.988479 19.85012 8.129121 -3.539520      11.39730 
1 1 1 -14 41 5  o 30.57252 6.857166 54.79145       20.01338 18.15000       44.82763 63.91288       22.36612 22.59350 10.05703 32.85373 7.157924 -10.26023      12.34422 
1 1 1 -14 41 6  o 38.95191 6.468251 86.49721       23.79701 7.364000       45.48258 116.3254       27.92412 21.48350 9.792494 45.23951 6.491769 -23.75601      11.74887 
1 1 1 -14 41 7  o 36.31932 6.294089 74.86801       21.56532 43.31000       45.73632 83.88998       24.45441 25.87732 10.81249 38.05309 6.815713 -12.17577      12.78139 
1 1 1 -14 41 8  o 20.36844 7.549493 22.81832       19.99766 59.28000       45.54355 14.10950       22.25812 28.33148 11.16506 18.58032 7.632492 9.751162       13.52455 
1 1 1 -14 41 9  o 25.81101 8.176455 41.74879       23.16228 51.05000       46.16420 38.61954       26.77658 27.01507 11.03250 24.73568 8.797275 2.279385       14.11057 
1 1 1 -14 41 10 o 31.62905 7.954139 61.88071       24.59778 31.16000       46.26749 73.98492       29.04215 24.26309 10.52447 33.97345 8.697247 -9.710361      13.65308 
1 1 1 -14 41 11 o 21.40531 7.741606 26.35833       20.83110 20.86000       45.34008 27.82949       23.45295 22.91379 10.16178 21.94552 8.167824 0.9682655      13.03745 
1 1 1 -14 41 12 o 30.94431 7.903057 59.23307       24.01966 0.000000       0.000000 59.23307       24.01966 ?        ?        30.94431 7.903057 ?              ?        
1 1 1 -14 41 13 o 17.73591 7.386784 11.22101       21.24499 3.022000       45.43359 13.51545       24.03450 20.99010 9.649522 18.78326 7.842476 2.206842       12.43454 
1 1 1 -14 41 14 o 38.27486 6.323997 83.22965       22.86584 35.87000       46.98751 97.92529       26.17414 24.84591 10.69080 41.21968 6.718453 -16.37377      12.62659 
1 1 1 -14 41 15 o 16.91686 7.255880 6.987272       21.51466 -18.79000      46.16520 14.13915       24.31680 19.13546 9.089697 18.92489 7.894003 0.2105675      12.03901 
1 1 1 -14 41 16 o 21.58775 8.538420 25.69781       26.72306 29.98000       47.38236 23.70037       32.36086 23.97629 10.52007 21.77338 9.096187 2.202904       13.90728 
1 1 1 -14 41 17 o 20.74083 8.024123 23.50461       23.17243 94.98000       47.77436 1.515995       26.49815 34.13148 11.77920 17.18993 7.686533 16.94155       14.06529 
1 1 1 -14 41 18 o 29.81109 8.667439 58.09684       26.79819 23.83000       47.52474 74.07164       32.44893 23.22187 10.34480 32.85643 9.533128 -9.634562      14.06753 
1 1 1 -14 41 19 o 30.24601 8.796129 60.20103       27.59672 19.27000       48.39234 79.92729       33.59484 22.81434 10.27923 34.08148 9.640828 -11.26713      14.09284 
1 1 1 -14 41 20 o 22.77212 8.220391 31.79206       23.47359 -31.03000      48.54051 50.96782       26.81788 18.49376 8.925065 27.71777 8.800189 -9.224012      12.53396 
1 1 1 -14 41 21 o 27.43485 8.854686 50.44667       27.06780 29.14000       50.47421 59.04769       32.06908 23.77334 10.62098 28.88738 9.654884 -5.114042      14.35347 
1 1 1 -14 41 22 o 27.55190 8.695093 50.66942       26.21618 52.45000       48.73772 49.94447       31.09843 26.43089 11.11043 26.73969 9.483641 -0.3087978     14.60757 
1 1 1 -14 41 23 o 18.41342 7.837714 12.52400       24.76100 -7.772000      46.71019 20.45627       29.20149 19.67449 9.285378 20.50628 8.608772 -0.8317871     12.66212 
1 1 1 -14 41 24 o 17.74029 8.486644 -20.58000      41.73807 0.000000       0.000000 -20.58000      41.73807 ?        ?        17.74029 8.486644 ?              ?        
1 1 1 -14 41 25 o 28.02703 9.652514 57.99105       32.07486 87.43000       47.36682 33.06000       43.58964 31.32461 11.61732 23.21841 10.14123 8.106195       15.42098 
1 1 1 -14 41 26 o 21.07397 8.863664 24.05254       31.04695 -10.95000      45.41641 54.76000       42.53877 18.96538 9.010851 26.30981 10.64727 -7.344437      13.94847 
1 1 1 -14 42 1  o 28.02603 7.232731 47.32232       19.97452 40.68000       45.77405 48.88465       22.19967 25.37183 10.72180 28.07881 7.799358 -2.706985      13.25846 
1 1 1 -14 42 2  o 49.02834 4.876125 128.7414       23.09081 67.00000       49.50222 145.9114       26.10482 29.20634 11.59892 51.91162 5.207737 -22.70528      12.71438 
1 1 1 -14 42 3  o 18.18961 7.214008 15.20685       19.12432 28.82000       44.77947 12.16996       21.15019 23.73777 10.32471 17.89016 7.403575 5.847612       12.70482 
1 1 1 -14 42 4  o 15.39047 7.190526 -13.19454      26.81163 -8.324000      44.40348 -15.98927      33.63555 19.71357 9.224389 16.86300 7.934092 2.850574       12.16714 
1 1 1 -14 42 5  o 23.32585 9.463971 31.53210       33.70790 0.000000       0.000000 31.53210       33.70790 ?        ?        23.32585 9.463971 ?              ?        
1 1 1 -14 42 6  o 24.58386 7.752024 37.22556       20.84177 -32.75000      45.85742 55.44283       23.39796 18.04322 8.699472 29.86359 7.888244 -11.82037      11.74331 
1 1 1 -14 42 7  o 47.01719 6.731100 127.3680       30.09498 30.48000       48.12267 189.6000       38.56749 24.15753 10.60070 57.04969 7.056869 -32.89215      12.73476 
1 1 1 -14 42 8  o 20.32858 8.915761 12.78903       33.99994 3.576000       45.01948 25.02000       51.87162 20.88989 9.604183 23.80931 10.69206 -2.919418      14.37221 
1 1 1 -14 42 9  o 15.89499 6.913707 3.841001       20.08039 11.47000       44.18653 1.855379       22.54262 21.54700 9.754444 16.23276 7.183763 5.314240       12.11427 
1 1 1 -14 42 10 o 22.87087 8.390068 31.90135       24.59089 0.000000       0.000000 31.90135       24.59089 ?        ?        22.87087 8.390068 ?              ?        
1 1 1 -14 42 11 f 34.18543 7.706425 71.75977       25.16858 0.000000       0.000000 71.75977       25.16858 ?        ?        34.18543 7.706425 ?              ?        
1 1 1 -14 42 12 o 25.49428 7.816706 40.64994       21.35536 -33.57000      46.40102 60.59576       24.05433 17.97638 8.687840 31.15124 7.883432 -13.17486      11.73146 
1 1 1 -14 42 13 o 18.35686 7.523262 14.34416       21.56182 -8.087000      46.34084 20.54216       24.35925 19.88169 9.341359 20.14726 8.090989 -0.2655697     12.35820 
1 1 1 -14 42 14 o 14.80416 6.732560 -4.661699      21.34478 26.61000       46.50336 -13.00832      24.02504 23.38622 10.33519 14.51707 6.790347 8.869153       12.36628 
1 1 1 -14 42 15 o 19.15612 7.761158 17.15963       22.63229 0.2334000      48.08373 21.97675       25.65142 20.84332 9.701834 20.60477 8.293029 0.2385445      12.76322 
1 1 1 -14 42 16 o 16.44635 7.485234 -3.000628      26.44871 44.19000       47.34739 -24.40549      31.88779 25.47471 10.84056 15.50413 7.417178 9.970581       13.13515 
1 1 1 -14 42 17 o 20.85738 8.505474 22.89649       27.38978 5.751000       47.89444 31.22890       33.38839 21.13238 9.783359 22.88947 9.369183 -1.757097      13.54606 
1 1 1 -14 42 18 o 15.70024 7.254731 -7.612402      26.15254 35.51000       47.40523 -26.47878      31.35588 24.16410 10.56457 15.12153 7.265932 9.042562       12.82201 
1 1 1 -14 42 19 o 17.42582 7.749043 4.527039       26.54622 49.27000       47.50288 -15.79129      32.01117 25.79004 10.91161 16.22330 7.665703 9.566740       13.33515 
1 1 1 -14 42 20 o 21.67624 8.587644 28.01285       27.07362 15.89000       46.00262 34.43667       33.48705 21.62565 9.853826 23.20188 9.425832 -1.576227      13.63614 
1 1 1 -14 42 21 o 24.88806 8.103240 40.61891       22.63972 40.03000       45.96964 40.80749       26.01320 24.24538 10.50377 24.59046 8.678102 -0.3450851     13.62492 
1 1 1 -14 42 22 o 32.35516 11.46131 91.73000       45.40918 0.000000       0.000000 91.73000       45.40918 ?        ?        32.35516 11.46131 ?              ?        
1 1 1 -14 42 23 o 20.70426 8.842895 21.78027       31.70978 14.47000       47.86057 27.50000       42.33491 21.39316 9.859840 22.35741 9.871677 -0.9642487     13.95229 
1 1 1 -14 43 1  o 14.47283 6.459950 -1.152813      18.62720 13.16000       43.93650 -4.289113      20.56703 21.53724 9.740683 14.58995 6.624776 6.947295       11.78001 
1 1 1 -14 43 2  o 19.40086 7.426410 20.00704       19.70118 -12.93000      44.93639 27.84454       21.92020 19.20333 9.076385 21.66390 7.925573 -2.460575      12.04971 
1 1 1 -14 43 3  o 13.00562 6.068233 -11.30090      18.99231 4.932000       44.72461 -14.87213      20.97769 20.77936 9.560408 13.25750 6.246381 7.521857       11.42010 
1 1 1 -14 43 4  o 13.15319 6.115925 -10.33712      19.02961 4.830000       44.98236 -13.64324      21.00148 20.79821 9.575922 13.41806 6.299431 7.380158       11.46216 
1 1 1 -14 43 5  o 14.24074 6.809863 -23.15322      26.81784 -56.64000      45.48907 -5.314312      33.20126 16.34006 8.045860 17.74619 8.190870 -1.406130      11.48156 
1 1 1 -14 43 6  o 21.34476 9.197578 20.15459       34.87496 36.10000       46.92831 0.4855000      52.12059 24.47656 10.60829 21.32143 9.982282 3.155136       14.56646 
1 1 1 -14 43 7  o 20.62581 8.055203 23.25815       23.52419 -0.4624000E-01 48.15021 30.56464       26.96085 20.77724 9.683624 22.53921 8.672320 -1.761972      12.99930 
1 1 1 -14 43 8  o 18.38241 7.860517 11.20272       25.10918 0.000000       0.000000 11.20272       25.10918 ?        ?        18.38241 7.860517 ?              ?        
1 1 1 -14 43 9  o 33.98357 7.731413 71.41418       25.13629 0.000000       0.000000 71.41418       25.13629 ?        ?        33.98357 7.731413 ?              ?        
1 1 1 -14 43 10 o 48.20742 6.175691 132.0757       28.47264 83.84000       52.77001 151.8855       33.81763 30.84361 12.05909 50.79308 6.986851 -19.94948      13.93692 
1 1 1 -14 43 11 o 28.80157 7.872418 52.64602       22.82331 2.278000       49.47744 66.26062       25.72363 20.97320 9.788632 32.16238 8.159528 -11.18918      12.74344 
1 1 1 -14 43 12 o 33.49176 7.362767 68.57270       23.47812 32.92000       48.66140 79.39037       26.80435 23.88865 10.56405 35.57156 7.903585 -11.68291      13.19340 
1 1 1 -14 43 13 o 32.24617 7.491613 64.30023       23.19353 85.57000       48.69437 58.05877       26.37792 31.37272 11.75062 29.50824 8.604899 1.864485       14.56439 
1 1 1 -14 43 14 o 17.30288 7.369662 9.802560       21.91610 6.294000       46.91546 10.78191       24.78683 20.86886 9.668852 18.07074 7.770030 2.798120       12.40403 
1 1 1 -14 43 15 o 27.44257 8.228344 49.56484       23.84686 56.71000       47.48630 47.15523       27.57626 26.65555 11.06780 26.17210 8.952180 0.4834499      14.23509 
1 1 1 -14 43 16 f 37.09836 8.074756 88.05643       28.48747 103.9000       50.06960 80.47272       34.64083 33.87104 12.03147 33.01672 9.921255 0.8543205      15.59447 
1 1 1 -14 43 17 o 22.97723 8.686278 34.60192       26.74448 16.30000       45.26145 44.42001       33.15076 21.39532 9.758592 24.90632 9.607703 -3.511005      13.69445 
1 1 1 -14 43 18 o 25.03444 9.639246 45.74274       33.32470 4.764000       45.59220 92.75000       48.83079 20.20520 9.418975 31.68402 11.78697 -11.47882      15.08806 
1 1 1 -14 43 19 o 30.07860 8.820559 62.88245       27.64901 68.68000       46.83776 59.78162       34.25411 27.95668 11.22206 27.88730 9.946685 0.6937599E-01  14.99570 
1 1 1 -14 43 20 o 19.81801 9.262159 3.445000       44.54667 3.445000       44.54667 0.000000       0.000000 19.81801 9.262159 ?        ?        ?              ?        
1 1 1 -14 44 1  o 21.94476 7.622987 29.60186       20.02242 -5.398000      46.03959 37.76558       22.23526 19.72466 9.281122 24.23310 8.037865 -4.508444      12.27789 
1 1 1 -14 44 2  o 21.79671 7.717556 29.12880       20.58696 -37.56000      46.52948 45.36171       22.95619 17.46170 8.499560 26.40330 8.106057 -8.941601      11.74524 
1 1 1 -14 44 3  o 11.46068 5.544468 -23.61510      19.01812 26.59000       45.79869 -34.07615      20.90580 22.83914 10.16594 11.19702 5.501761 11.64212       11.55922 
1 1 1 -14 44 4  o 22.11748 7.691511 30.26156       20.38680 22.68000       47.82927 31.94481       22.53658 22.54629 10.18327 22.54919 8.065166 -0.2895355E-02 12.99022 
1 1 1 -14 44 5  o 12.78831 6.099611 -18.80163      21.22488 -68.51000      44.50426 -4.166691      24.14806 15.33594 7.623269 15.54006 7.103187 -0.2041197     10.41967 
1 1 1 -14 44 6  o 18.66882 8.118477 11.44190       27.67612 32.84000       46.01156 -0.6891656     34.64407 23.51175 10.33984 18.29989 8.417684 5.211857       13.33303 
1 1 1 -14 44 7  o 28.20632 10.14680 60.48237       35.72764 0.000000       0.000000 60.48237       35.72764 ?        ?        28.20632 10.14680 ?              ?        
1 1 1 -14 44 8  o 29.90031 8.143083 58.42250       24.47139 0.000000       0.000000 58.42250       24.47139 ?        ?        29.90031 8.143083 ?              ?        
1 1 1 -14 44 9  o 33.24725 7.950747 70.85699       25.52457 8.813000       48.05470 95.24058       30.12553 21.03118 9.758394 38.39537 8.261020 -17.36420      12.78557 
1 1 1 -14 44 10 o 37.29432 6.696619 82.72149       23.54745 61.92000       48.93986 88.98786       26.86109 27.03924 11.23227 37.85955 7.513620 -10.82031      13.51364 
1 1 1 -14 44 11 o 27.47282 8.563656 51.52239       25.50833 0.000000       0.000000 51.52239       25.50833 ?        ?        27.47282 8.563656 ?              ?        
1 1 1 -14 44 12 o 17.01917 7.363099 8.540209       22.52727 -20.02000      45.62528 17.74728       25.90512 18.21879 8.756879 19.30305 8.106284 -1.084267      11.93293 
1 1 1 -14 44 13 o 18.66232 7.974672 14.59552       25.81139 33.36000       45.07317 5.439401       31.48514 23.04580 10.18032 18.21789 8.241972 4.827909       13.09844 
1 1 1 -14 44 14 o 21.51435 8.009555 29.23440       22.55584 11.02000       45.49350 35.17130       25.97299 20.66466 9.555638 22.93995 8.583983 -2.275288      12.84504 
1 1 1 -14 44 15 o 22.43570 8.215392 32.83504       23.56083 31.40000       45.95247 33.34684       27.44243 22.82744 10.17046 22.50635 8.725355 0.3210888      13.40038 
1 1 1 -14 44 16 o 21.12602 9.660422 18.23000       44.72511 18.23000       44.72511 0.000000       0.000000 21.12602 9.660422 ?        ?        ?              ?        
1 1 1 -14 45 1  o 17.48563 7.222453 13.61627       20.07609 9.565000       43.07245 14.74069       22.69172 20.22043 9.331627 18.16133 7.604193 2.059109       12.03757 
1 1 1 -14 45 2  o 27.35792 7.648127 48.58853       21.27303 -32.05000      44.30967 72.74273       24.25066 17.06993 8.305583 33.91758 7.503565 -16.84765      11.19313 
1 1 1 -14 45 3  o 23.09273 8.190268 35.46525       23.19452 -24.90000      44.42648 58.08493       27.19516 17.55473 8.488174 28.68227 8.825897 -11.12754      12.24523 
1 1 1 -14 45 4  o 28.42025 8.084820 54.00686       23.55874 39.49000       45.70634 59.25899       27.49210 23.64994 10.35583 28.90915 8.869976 -5.259201      13.63524 
1 1 1 -14 45 5  o 17.66059 7.346518 13.78645       20.97737 39.78000       45.31361 6.696228       23.66605 23.68550 10.34265 16.84355 7.411151 6.841949       12.72382 
1 1 1 -14 45 6  o 25.19908 8.502750 43.86478       24.86767 0.000000       0.000000 43.86478       24.86767 ?        ?        25.19908 8.502750 ?              ?        
1 1 1 -14 45 7  o 16.79752 7.631241 1.108716       27.33604 -39.08000      44.12790 26.13462       34.82219 16.58966 8.118754 21.42991 9.211930 -4.840246      12.27900 
1 1 1 -14 45 8  o 18.31289 8.030375 11.22719       27.57215 13.02000       44.91953 10.14338       34.92568 20.72185 9.551036 19.26027 8.700231 1.461578       12.91961 
1 1 1 -14 45 9  o 22.50912 10.08819 30.72000       45.92726 30.72000       45.92726 0.000000       0.000000 22.50912 10.08819 ?        ?        ?              ?        
1 1 1 -13 0  1  o 590.1569 15.61762 17161.32       900.7423 17161.32       900.7423 17161.32       900.7423 590.1569 15.61762 590.1569 15.61762 0.000000       0.000000 
1 1 1 -13 0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 0  3  o 438.6115 11.71437 9460.866       502.1163 9460.866       502.1163 9460.866       502.1163 438.6115 11.71437 438.6115 11.71437 0.000000       0.000000 
1 1 1 -13 0  4  o 329.9722 8.983909 5349.310       289.6813 5349.310       289.6813 5349.310       289.6813 329.9722 8.983909 329.9722 8.983909 0.000000       0.000000 
1 1 1 -13 0  5  o 128.1333 4.590292 806.9671       57.40382 806.9671       57.40382 806.9671       57.40382 128.1333 4.590292 128.1333 4.590292 0.000000       0.000000 
1 1 1 -13 0  6  o 54.50690 5.284507 149.5464       27.54525 149.5464       27.54525 149.5464       27.54525 54.50690 5.284507 54.50690 5.284507 0.000000       0.000000 
1 1 1 -13 0  7  o 304.9129 8.375381 4567.709       249.5429 4567.709       249.5429 4567.709       249.5429 304.9129 8.375381 304.9129 8.375381 0.000000       0.000000 
1 1 1 -13 0  8  o 161.1420 5.147710 1275.538       81.00713 1275.538       81.00713 1275.538       81.00713 161.1420 5.147710 161.1420 5.147710 0.000000       0.000000 
1 1 1 -13 0  9  o 115.3019 4.529970 653.9965       50.94598 653.9965       50.94598 653.9965       50.94598 115.3019 4.529970 115.3019 4.529970 0.000000       0.000000 
1 1 1 -13 0  10 o 113.8963 4.539435 638.2548       50.42480 638.2548       50.42480 638.2548       50.42480 113.8963 4.539435 113.8963 4.539435 0.000000       0.000000 
1 1 1 -13 0  11 o 121.8077 4.615990 729.7125       54.85615 729.7125       54.85615 729.7125       54.85615 121.8077 4.615990 121.8077 4.615990 0.000000       0.000000 
1 1 1 -13 0  12 o 120.8253 4.584830 718.0244       54.04593 718.0244       54.04593 718.0244       54.04593 120.8253 4.584830 120.8253 4.584830 0.000000       0.000000 
1 1 1 -13 0  13 o 168.6517 5.328737 1397.535       87.76828 1397.535       87.76828 1397.535       87.76828 168.6517 5.328737 168.6517 5.328737 0.000000       0.000000 
1 1 1 -13 0  14 o 369.6587 10.00724 6726.441       361.4941 6726.441       361.4941 6726.441       361.4941 369.6587 10.00724 369.6587 10.00724 0.000000       0.000000 
1 1 1 -13 0  15 o 207.5876 6.135521 2117.607       124.4226 2117.607       124.4226 2117.607       124.4226 207.5876 6.135521 207.5876 6.135521 0.000000       0.000000 
1 1 1 -13 0  16 o 88.74888 4.588170 388.8929       39.61283 388.8929       39.61283 388.8929       39.61283 88.74888 4.588170 88.74888 4.588170 0.000000       0.000000 
1 1 1 -13 0  17 o 200.1499 6.013912 1968.978       117.5790 1968.978       117.5790 1968.978       117.5790 200.1499 6.013912 200.1499 6.013912 0.000000       0.000000 
1 1 1 -13 0  18 o 58.12394 5.610749 170.1491       31.19359 170.1491       31.19359 170.1491       31.19359 58.12394 5.610749 58.12394 5.610749 0.000000       0.000000 
1 1 1 -13 0  19 o 156.6389 5.173223 1206.344       79.12091 1206.344       79.12091 1206.344       79.12091 156.6389 5.173223 156.6389 5.173223 0.000000       0.000000 
1 1 1 -13 0  20 o 199.1317 6.003526 1949.686       116.7772 1949.686       116.7772 1949.686       116.7772 199.1317 6.003526 199.1317 6.003526 0.000000       0.000000 
1 1 1 -13 0  21 o 54.59418 6.136947 151.6071       31.73096 151.6071       31.73096 151.6071       31.73096 54.59418 6.136947 54.59418 6.136947 0.000000       0.000000 
1 1 1 -13 0  22 o 52.62212 6.593716 142.0975       32.52093 142.0975       32.52093 142.0975       32.52093 52.62212 6.593716 52.62212 6.593716 0.000000       0.000000 
1 1 1 -13 0  23 o 56.72699 6.093432 163.2123       32.84941 163.2123       32.84941 163.2123       32.84941 56.72699 6.093432 56.72699 6.093432 0.000000       0.000000 
1 1 1 -13 0  24 o 68.10451 5.456618 231.7758       35.82158 231.7758       35.82158 231.7758       35.82158 68.10451 5.456618 68.10451 5.456618 0.000000       0.000000 
1 1 1 -13 0  25 o 232.9272 9.579494 2686.000       217.5666 2686.000       217.5666 2686.000       217.5666 232.9272 9.579494 232.9272 9.579494 0.000000       0.000000 
1 1 1 -13 0  26 o 297.6459 11.91884 4404.000       345.9804 4404.000       345.9804 4404.000       345.9804 297.6459 11.91884 297.6459 11.91884 0.000000       0.000000 
1 1 1 -13 0  27 o 129.8316 7.424379 836.8000       93.63946 836.8000       93.63946 836.8000       93.63946 129.8316 7.424379 129.8316 7.424379 0.000000       0.000000 
1 1 1 -13 0  28 o 204.4406 8.855146 2072.000       176.4439 2072.000       176.4439 2072.000       176.4439 204.4406 8.855146 204.4406 8.855146 0.000000       0.000000 
1 1 1 -13 0  29 o 120.7990 4.809875 719.2991       56.66737 719.2991       56.66737 719.2991       56.66737 120.7990 4.809875 120.7990 4.809875 0.000000       0.000000 
1 1 1 -13 0  30 o 15.20033 9.393627 8.508182       27.54486 8.508182       27.54486 8.508182       27.54486 15.20033 9.393627 15.20033 9.393627 0.000000       0.000000 
1 1 1 -13 0  31 o 133.1502 6.810117 880.1000       88.22427 880.1000       88.22427 880.1000       88.22427 133.1502 6.810117 133.1502 6.810117 0.000000       0.000000 
1 1 1 -13 0  32 o 83.42012 6.443362 348.9000       51.87150 348.9000       51.87150 348.9000       51.87150 83.42012 6.443362 83.42012 6.443362 0.000000       0.000000 
1 1 1 -13 0  33 o 8.912624 6.385058 -41.21885      25.98751 -41.21885      25.98751 -41.21885      25.98751 8.912624 6.385058 8.912624 6.385058 0.000000       0.000000 
1 1 1 -13 0  34 f 95.64918 4.857622 453.5265       45.20996 453.5265       45.20996 453.5265       45.20996 95.64918 4.857622 95.64918 4.857622 0.000000       0.000000 
1 1 1 -13 0  35 o 172.3528 5.629967 1470.037       94.74979 1470.037       94.74979 1470.037       94.74979 172.3528 5.629967 172.3528 5.629967 0.000000       0.000000 
1 1 1 -13 0  36 o 78.08157 5.179017 304.5758       39.17692 304.5758       39.17692 304.5758       39.17692 78.08157 5.179017 78.08157 5.179017 0.000000       0.000000 
1 1 1 -13 0  37 o 182.4404 5.849188 1652.172       104.2101 1652.172       104.2101 1652.172       104.2101 182.4404 5.849188 182.4404 5.849188 0.000000       0.000000 
1 1 1 -13 0  38 o 106.5074 4.974069 563.6660       51.59734 563.6660       51.59734 563.6660       51.59734 106.5074 4.974069 106.5074 4.974069 0.000000       0.000000 
1 1 1 -13 0  39 o 7.702875 5.651005 -74.25179      28.07777 -74.25179      28.07777 -74.25179      28.07777 7.702875 5.651005 7.702875 5.651005 0.000000       0.000000 
1 1 1 -13 0  40 o 47.89441 7.991701 123.7544       34.33286 123.7544       34.33286 123.7544       34.33286 47.89441 7.991701 47.89441 7.991701 0.000000       0.000000 
1 1 1 -13 0  41 o 72.45103 5.838240 265.7679       40.76521 265.7679       40.76521 265.7679       40.76521 72.45103 5.838240 72.45103 5.838240 0.000000       0.000000 
1 1 1 -13 0  42 o 11.84962 8.187829 -23.23088      32.11596 -23.23088      32.11596 -23.23088      32.11596 11.84962 8.187829 11.84962 8.187829 0.000000       0.000000 
1 1 1 -13 0  43 o 20.77860 11.32574 32.66236       32.66211 32.66236       32.66211 32.66236       32.66211 20.77860 11.32574 20.77860 11.32574 0.000000       0.000000 
1 1 1 -13 0  44 o 66.43298 6.144914 226.5057       39.12918 226.5057       39.12918 226.5057       39.12918 66.43298 6.144914 66.43298 6.144914 0.000000       0.000000 
1 1 1 -13 0  45 o 48.65614 8.462092 130.8533       36.65301 130.8533       36.65301 130.8533       36.65301 48.65614 8.462092 48.65614 8.462092 0.000000       0.000000 
1 1 1 -13 0  46 f 62.46276 11.42943 224.7000       62.96785 224.7000       62.96785 224.7000       62.96785 62.46276 11.42943 62.46276 11.42943 0.000000       0.000000 
1 1 1 -13 0  47 o 26.37749 12.19747 54.73557       34.71886 54.73557       34.71886 54.73557       34.71886 26.37749 12.19747 26.37749 12.19747 0.000000       0.000000 
1 1 1 -13 0  48 o 21.85022 11.72086 38.51074       34.44608 38.51074       34.44608 38.51074       34.44608 21.85022 11.72086 21.85022 11.72086 0.000000       0.000000 
1 1 1 -13 0  49 o 44.07411 13.01877 128.1000       48.82826 128.1000       48.82826 128.1000       48.82826 44.07411 13.01877 44.07411 13.01877 0.000000       0.000000 
1 1 1 -13 0  50 o 10.04548 7.163592 -41.21367      31.25241 -41.21367      31.25241 -41.21367      31.25241 10.04548 7.163592 10.04548 7.163592 0.000000       0.000000 
1 1 1 -13 0  51 o 10.82139 7.623501 -31.95488      31.85447 -31.95488      31.85447 -31.95488      31.85447 10.82139 7.623501 10.82139 7.623501 0.000000       0.000000 
1 1 1 -13 0  52 o 29.43249 11.91773 65.33798       33.56996 65.33798       33.56996 65.33798       33.56996 29.43249 11.91773 29.43249 11.91773 0.000000       0.000000 
1 1 1 -13 0  53 o 104.9815 5.258674 560.2595       53.72664 560.2595       53.72664 560.2595       53.72664 104.9815 5.258674 104.9815 5.258674 0.000000       0.000000 
1 1 1 -13 0  54 o 24.98452 11.94310 51.53511       33.50927 51.53511       33.50927 51.53511       33.50927 24.98452 11.94310 24.98452 11.94310 0.000000       0.000000 
1 1 1 -13 0  55 o 18.32355 10.83325 24.99569       33.41343 24.99569       33.41343 24.99569       33.41343 18.32355 10.83325 18.32355 10.83325 0.000000       0.000000 
1 1 1 -13 0  56 o 13.59748 9.514078 -34.82000      47.13068 -34.82000      47.13068 -34.82000      47.13068 13.59748 9.514078 13.59748 9.514078 0.000000       0.000000 
1 1 1 -13 0  57 o 12.78255 8.666967 -10.47936      32.38912 -10.47936      32.38912 -10.47936      32.38912 12.78255 8.666967 12.78255 8.666967 0.000000       0.000000 
1 1 1 -13 0  58 o 27.09623 12.26894 60.15206       35.05807 60.15206       35.05807 60.15206       35.05807 27.09623 12.26894 27.09623 12.26894 0.000000       0.000000 
1 1 1 -13 0  59 o 11.78273 8.467861 -65.37000      47.26442 -65.37000      47.26442 -65.37000      47.26442 11.78273 8.467861 11.78273 8.467861 0.000000       0.000000 
1 1 1 -13 0  60 o 17.74517 11.34577 17.06000       44.07843 17.06000       44.07843 17.06000       44.07843 17.74517 11.34577 17.74517 11.34577 0.000000       0.000000 
1 1 1 -13 1  1  o 380.4976 7.215477 7099.988       268.7343 7252.255       385.8806 6956.591       374.4716 384.0222 10.27497 376.1236 10.18079 7.898560       14.46457 
1 1 1 -13 1  2  o 439.7344 8.273248 9488.954       356.1006 9561.689       506.2990 9417.748       500.9482 440.6649 11.74843 437.3412 11.71271 3.323700       16.58955 
1 1 1 -13 1  3  o 300.9656 8.252566 4448.423       242.8857 4260.000       333.5923 4661.000       354.3295 294.0184 11.61423 307.5338 11.79271 -13.51535      16.55169 
1 1 1 -13 1  4  o 373.6416 7.096421 6846.596       259.5379 6820.389       366.1411 6873.063       367.9496 372.4091 10.05355 373.8434 10.06439 -1.434357      14.22554 
1 1 1 -13 1  5  o 278.7625 5.447366 3807.904       148.6371 3800.424       210.0211 3815.409       210.3885 278.2079 7.719823 278.7565 7.718077 -0.5485840     10.91624 
1 1 1 -13 1  6  o 28.20444 6.263735 40.53859       16.84231 26.15190       23.41060 55.97387       24.24875 24.13402 8.248531 33.11773 7.636456 -8.983709      11.24072 
1 1 1 -13 1  7  o 97.35835 3.060478 464.5553       29.12922 450.6487       40.72153 479.1280       41.68526 95.81773 4.353193 98.80711 4.320552 -2.989388      6.133307 
1 1 1 -13 1  8  o 227.7016 4.611335 2540.116       102.7777 2605.145       147.6684 2479.016       143.1368 230.3849 6.554945 224.7382 6.513685 5.646774       9.240963 
1 1 1 -13 1  9  o 157.0887 3.589197 1208.512       55.18850 1207.662       77.95377 1209.366       78.14322 156.8999 5.082551 157.0100 5.091342 -0.1101532     7.194031 
1 1 1 -13 1  10 o 42.62113 4.606105 90.04195       18.91117 81.37157       26.42830 99.13996       27.07220 40.14882 6.978113 44.50731 6.397837 -4.358482      9.467120 
1 1 1 -13 1  11 o 129.1219 3.298999 817.0162       41.66127 825.8640       59.27407 808.3779       58.56815 129.7367 4.675268 128.3545 4.669482 1.382202       6.607737 
1 1 1 -13 1  12 o 61.10014 3.595849 183.4872       21.41044 195.8938       30.19908 170.9485       30.35943 63.02677 4.934420 58.80931 5.331900 4.217464       7.264823 
1 1 1 -13 1  13 o 151.1687 3.525835 1119.338       52.17109 1080.898       72.44075 1160.760       75.19863 148.4047 4.993996 153.7947 5.001962 -5.390015      7.068213 
1 1 1 -13 1  14 o 204.9049 4.273585 2057.570       85.71382 2057.238       121.1672 2057.902       121.2682 204.6635 6.055028 204.6961 6.059117 -0.3256226E-01 8.565995 
1 1 1 -13 1  15 o 57.08921 3.808205 160.3968       21.15875 157.8169       29.41366 163.1635       30.45975 56.46724 5.386853 57.41251 5.486847 -0.9452782     7.689192 
1 1 1 -13 1  16 o 48.90970 4.281617 118.1467       20.29138 135.3515       28.43235 100.2878       28.96783 52.21738 5.652808 44.67323 6.842197 7.544155       8.875240 
1 1 1 -13 1  17 o 72.89401 3.419941 260.8892       24.33348 252.5430       33.93092 269.7267       34.91569 71.59515 4.870792 74.00397 4.846812 -2.408821      6.871404 
1 1 1 -13 1  18 o 226.4414 4.628548 2514.538       102.5904 2481.947       143.7784 2548.341       146.4274 224.6504 6.545511 227.6323 6.578672 -2.981888      9.280229 
1 1 1 -13 1  19 o 97.21589 3.243730 463.5455       30.82334 500.2240       44.13604 428.6250       43.06524 100.8976 4.480130 93.35989 4.727990 7.537704       6.513483 
1 1 1 -13 1  20 o 194.6898 4.163311 1858.514       79.33929 1792.717       109.8973 1930.138       114.6595 190.9466 5.886919 198.1317 5.918846 -7.185104      8.347967 
1 1 1 -13 1  21 o 86.52466 3.381542 367.4309       28.58406 379.3655       40.57431 355.6717       40.27529 87.80427 4.738505 84.99747 4.861176 2.806801       6.788554 
1 1 1 -13 1  22 o 176.7481 3.924764 1531.716       67.90073 1545.515       96.41625 1518.138       95.64072 177.2932 5.562750 175.7136 5.567749 1.579605       7.870452 
1 1 1 -13 1  23 o 147.5335 4.969782 1069.742       71.66611 1055.000       100.4909 1085.000       102.2340 146.2036 7.042739 148.2686 7.064655 -2.064957      9.975446 
1 1 1 -13 1  24 o 182.7798 5.636879 1643.477       100.7288 1672.000       143.8027 1616.000       141.1389 183.8840 8.008656 180.7755 7.996072 3.108459       11.31705 
1 1 1 -13 1  25 o 253.7165 7.322626 3177.186       181.6633 3261.000       261.4940 3099.000       252.5603 255.9314 10.46040 249.5222 10.36325 6.409164       14.72470 
1 1 1 -13 1  26 o 123.8048 4.805263 753.9619       58.12133 729.3000       77.16416 786.3000       88.36082 121.5019 6.512020 126.0479 7.191574 -4.545952      9.701811 
1 1 1 -13 1  27 o 193.3367 4.869701 1837.861       92.08247 1761.507       110.0615 2016.000       168.1120 189.0585 5.954906 201.5462 8.540898 -12.48769      10.41191 
1 1 1 -13 1  28 o 181.1662 4.651377 1613.923       82.41485 1635.000       145.3335 1603.932       100.0585 181.4491 8.204071 180.3969 5.673602 1.052231       9.974795 
1 1 1 -13 1  29 o 166.2740 4.476690 1359.819       72.79346 1262.000       125.9350 1408.901       89.20551 159.2746 8.104450 169.0616 5.397558 -9.786987      9.737338 
1 1 1 -13 1  30 o 115.7403 4.559536 659.9509       51.55385 596.1000       69.90253 736.1000       76.33811 109.6002 6.545737 121.8619 6.422488 -12.26171      9.170334 
1 1 1 -13 1  31 o 142.3692 4.070387 997.4675       56.66462 1028.000       97.10770 981.7036       69.77573 143.7948 6.919599 141.0270 5.062922 2.767776       8.574032 
1 1 1 -13 1  32 o 69.78906 4.723950 241.2019       32.07983 241.4000       45.15697 241.0000       45.58147 69.40221 6.731747 69.32658 6.804683 0.7563019E-01  9.571840 
1 1 1 -13 1  33 o 100.7795 3.821995 500.5930       37.63405 461.5409       46.08200 578.8000       65.21269 96.54344 4.892382 107.7766 6.207870 -11.23321      7.903990 
1 1 1 -13 1  34 o 83.18704 3.486657 341.1005       28.32743 347.0111       40.48449 335.4309       39.65059 83.60258 4.969663 82.19531 4.951247 1.407272       7.015155 
1 1 1 -13 1  35 o 55.25114 4.375694 151.7627       23.47124 142.4553       33.10021 161.1756       33.28728 53.01413 6.515587 56.54575 6.111095 -3.531616      8.932993 
1 1 1 -13 1  36 o 41.92519 5.467379 88.91170       21.90277 93.04836       30.82282 84.69219       31.12987 42.27485 7.733664 40.15559 8.197649 2.119259       11.26992 
1 1 1 -13 1  37 o 175.5396 4.024518 1524.115       69.15048 1529.730       98.12563 1518.576       97.46481 174.8255 5.741972 174.1985 5.723838 0.6270142      8.107562 
1 1 1 -13 1  38 o 113.6152 3.495490 637.8669       38.82700 632.6456       54.83118 643.1182       54.98851 112.5925 4.987593 113.5343 4.960070 -0.9417877     7.034087 
1 1 1 -13 1  39 o 59.12457 4.306756 174.4509       24.75347 176.1866       34.69434 172.6514       35.32763 58.85524 6.111227 58.18667 6.303299 0.6685715      8.779447 
1 1 1 -13 1  40 o 51.39744 4.894337 133.0081       24.32615 114.3982       33.46442 153.8612       35.42388 46.72068 7.576898 54.65971 6.765265 -7.939026      10.15767 
1 1 1 -13 1  41 o 56.97676 4.688320 163.1148       25.91584 143.3622       36.44360 183.3224       36.86102 52.42740 7.299270 59.78524 6.398317 -7.357841      9.706586 
1 1 1 -13 1  42 o 84.58549 3.813668 355.9058       31.49390 362.1807       44.78083 349.7645       44.30124 84.63365 5.434304 83.14541 5.473863 1.488243       7.713290 
1 1 1 -13 1  43 o 51.26892 5.109856 133.6293       25.30189 139.5130       36.03066 127.9051       35.53897 51.40982 7.370681 49.05407 7.651144 2.355759       10.62389 
1 1 1 -13 1  44 o 23.13467 8.259168 25.86492       23.62261 54.67562       33.33031 -3.213926      33.48505 31.29478 9.794135 19.92774 8.789988 11.36704       13.16013 
1 1 1 -13 1  45 o 30.06294 9.116788 50.73836       29.15537 33.07109       34.06427 99.13000       56.37668 26.15173 9.821233 39.80918 12.77255 -13.65746      16.11194 
1 1 1 -13 1  46 o 34.47750 7.393144 65.04921       24.20122 64.28752       34.23982 65.80964       34.21159 33.29830 9.829369 33.68321 9.793189 -0.3849106     13.87527 
1 1 1 -13 1  47 o 21.04798 8.615226 13.82262       28.23017 -62.97000      57.92876 37.73983       32.32881 20.26800 9.773524 26.73924 9.647826 -6.471235      13.73326 
1 1 1 -13 1  48 o 64.40981 6.366764 218.8749       39.61545 0.000000       0.000000 218.8749       39.61545 ?        ?        64.40981 6.366764 ?              ?        
1 1 1 -13 1  49 o 23.60000 8.353294 29.01205       24.11672 29.74528       33.67214 28.23975       34.55749 24.95876 9.668131 24.78733 9.738642 0.1714306      13.72275 
1 1 1 -13 1  50 o 64.85255 4.984684 216.9137       31.39991 237.3349       39.26754 180.7000       52.29144 67.06577 6.046594 55.11905 10.06289 11.94671       11.73980 
1 1 1 -13 1  51 o 56.51933 4.749100 164.5969       26.03052 166.6125       36.83580 162.5863       36.78967 55.34777 6.952298 54.59415 7.048862 0.7536163      9.900551 
1 1 1 -13 1  52 o 71.20615 4.158422 258.3798       28.85746 239.7773       40.56070 277.4479       41.06520 66.94179 6.262866 72.43293 5.841551 -5.491142      8.564299 
1 1 1 -13 1  53 o 28.91099 8.036709 48.56071       23.56145 46.72137       32.85364 50.50855       33.80875 28.03051 9.763036 28.90791 9.911617 -0.8773975     13.91248 
1 1 1 -13 1  54 o 48.09800 5.422796 122.1595       25.08583 139.8546       35.47471 104.4604       35.47872 49.95758 7.484733 41.95926 8.913779 7.998325       11.63945 
1 1 1 -13 1  55 o 22.55040 8.824645 24.21603       28.27992 88.83000       52.54492 -2.132583      33.55416 35.55515 12.34912 19.24200 8.623468 16.31315       15.06204 
1 1 1 -13 1  56 o 55.46620 5.623574 163.2777       30.10993 161.6000       49.67453 164.2521       37.85723 50.86116 10.33089 54.24213 7.316683 -3.380970      12.65943 
1 1 1 -13 1  57 o 16.10728 7.188265 -3.094036      23.05385 -7.458883      32.47427 1.340750       32.73341 18.21618 8.292072 19.42062 8.622256 -1.204443      11.96251 
1 1 1 -13 1  58 o 30.46286 9.100057 57.04535       29.20833 75.52805       34.93759 14.14000       53.23116 34.48117 9.857547 24.46018 10.91893 10.02099       14.71034 
1 1 1 -13 1  59 o 32.71353 7.788271 62.98177       24.57829 45.93567       35.38628 78.87047       34.16385 27.26678 10.05404 35.18098 9.637987 -7.914200      13.92747 
1 1 1 -13 1  60 o 30.57741 9.980376 61.80368       34.33294 0.000000       0.000000 61.80368       34.33294 ?        ?        30.57741 9.980376 ?              ?        
1 1 1 -13 2  1  o 645.7317 12.06047 20524.80       762.2940 20762.37       1091.502 20298.59       1065.077 647.3019 17.24242 640.1307 17.01341 7.171204       24.22307 
1 1 1 -13 2  2  o 350.1932 6.680540 6012.643       228.9948 6115.458       327.6488 5914.465       320.1755 352.7278 9.498569 346.8882 9.438352 5.839600       13.39049 
1 1 1 -13 2  3  f 257.7107 5.886752 3255.002       148.4959 3658.000       278.1905 3094.418       175.6068 272.5907 10.44550 251.0882 7.152396 21.50250       12.65959 
1 1 1 -13 2  4  o 214.2195 6.212774 2251.404       130.1343 0.000000       0.000000 2251.404       130.1343 ?        ?        214.2195 6.212774 ?              ?        
1 1 1 -13 2  5  o 380.8452 7.225764 7114.530       269.3633 7173.413       383.2013 7057.018       378.7130 381.8480 10.26181 378.7422 10.22487 3.105713       14.48630 
1 1 1 -13 2  6  o 257.7983 5.098195 3256.419       128.6479 3268.626       182.5497 3244.375       181.3277 258.0288 7.234953 257.0714 7.213293 0.9573669      10.21646 
1 1 1 -13 2  7  o 104.3614 3.102701 533.7469       31.65948 513.4325       44.13037 555.2897       45.44510 102.2825 4.418303 106.3804 4.373675 -4.097839      6.216947 
1 1 1 -13 2  8  o 33.44600 5.784388 56.40624       18.25184 40.67003       25.14384 73.93379       26.53641 28.56547 8.420790 38.17480 7.368540 -9.609324      11.18951 
1 1 1 -13 2  9  o 208.8225 4.322649 2136.245       88.35547 2152.415       125.5737 2120.390       124.3424 209.4196 6.132580 207.8559 6.118199 1.563705       8.662615 
1 1 1 -13 2  10 o 213.6521 4.398293 2236.411       91.98084 2233.971       129.9489 2238.861       130.2126 213.3312 6.229849 213.5642 6.235677 -0.2329407     8.814459 
1 1 1 -13 2  11 o 38.84570 4.982063 75.16725       18.50786 71.18388       25.37013 79.69883       27.05962 37.45811 7.180669 39.68147 7.233129 -2.223351      10.19216 
1 1 1 -13 2  12 o 117.4592 3.211331 676.1706       36.88677 660.9523       51.62045 692.0494       52.72876 116.0462 4.553323 118.7494 4.544774 -2.703262      6.433329 
1 1 1 -13 2  13 o 297.4809 5.792609 4340.954       168.6706 4377.982       239.8213 4304.709       237.2718 298.2906 8.221599 295.7856 8.203182 2.505035       11.61408 
1 1 1 -13 2  14 o 104.0875 3.198164 531.1394       32.54541 537.5609       45.79369 524.5859       46.26222 104.6307 4.481750 103.3499 4.584504 1.280777       6.411221 
1 1 1 -13 2  15 o 137.9632 3.402721 932.3942       45.95110 903.4008       63.91311 963.4168       66.11198 135.6537 4.821065 140.0921 4.828475 -4.438354      6.823257 
1 1 1 -13 2  16 o 137.6628 3.399873 928.3854       45.81266 919.2850       64.29682 937.7698       65.29243 136.8366 4.807911 138.2048 4.833956 -1.368225      6.817854 
1 1 1 -13 2  17 o 83.25111 3.254694 340.0349       26.47091 355.5455       37.20467 324.1333       37.67073 85.04024 4.485442 81.16109 4.762806 3.879150       6.542439 
1 1 1 -13 2  18 o 114.4190 3.261950 641.8915       36.49541 620.6543       50.68913 664.7495       52.58783 112.4050 4.616879 116.3349 4.627390 -3.929977      6.536689 
1 1 1 -13 2  19 o 48.66585 4.356801 117.0591       20.53450 135.9421       28.52239 96.73991       29.58721 52.31620 5.659869 43.78872 7.149433 8.527477       9.118580 
1 1 1 -13 2  20 o 193.3251 4.143171 1832.555       78.40206 1790.335       109.2382 1877.407       112.5924 190.8205 5.855409 195.4041 5.893401 -4.583572      8.307707 
1 1 1 -13 2  21 o 118.7564 3.371607 691.6700       39.15257 689.6450       55.21281 693.7183       55.52874 118.4581 4.771539 118.8066 4.784760 -0.3485031     6.757330 
1 1 1 -13 2  22 o 247.8472 4.999810 3015.365       121.2952 2948.319       168.8932 3086.781       174.3097 244.6143 7.061205 250.2824 7.122411 -5.668030      10.02942 
1 1 1 -13 2  23 o 176.8780 4.622947 1536.309       79.96990 1696.000       146.2489 1468.196       95.51396 185.2262 8.085962 172.7652 5.655746 12.46091       9.867637 
1 1 1 -13 2  24 o 117.6128 3.993174 679.2112       45.90383 688.3877       55.80032 660.0000       80.73756 118.3169 4.828329 115.5131 7.176093 2.803810       8.649224 
1 1 1 -13 2  25 o 255.3445 5.946273 3207.298       148.6201 3152.822       179.7523 3325.000       264.2189 252.7467 7.273354 258.4135 10.46748 -5.666840      12.74637 
1 1 1 -13 2  26 o 168.2968 4.460437 1391.476       73.41357 1346.674       87.87463 1495.000       133.5791 165.4109 5.434795 173.7646 7.874103 -8.353714      9.567575 
1 1 1 -13 2  27 o 121.2335 3.384097 721.2878       40.11868 661.7999       55.73775 785.2385       57.79068 115.9419 4.922573 126.3442 4.681100 -10.40225      6.792969 
1 1 1 -13 2  28 o 127.2337 4.784379 796.8546       59.47846 854.0000       84.22277 740.0000       84.00813 131.3961 6.569322 122.1873 7.054061 9.208809       9.639283 
1 1 1 -13 2  29 o 105.3629 4.705883 546.9763       48.41030 0.000000       0.000000 546.9763       48.41030 ?        ?        105.3629 4.705883 ?              ?        
1 1 1 -13 2  30 o 98.41299 5.126414 478.3624       49.21216 423.2000       69.44775 534.0000       69.74622 91.98586 7.786204 103.6197 6.916168 -11.63386      10.41433 
1 1 1 -13 2  31 o 64.76362 3.798232 206.8265       23.97221 193.2268       33.76013 220.6571       34.04533 62.31059 5.594730 66.67944 5.258801 -4.368847      7.678281 
1 1 1 -13 2  32 o 46.68623 4.639438 108.4767       20.92096 125.0625       29.57725 91.86956       29.59617 49.86375 6.192968 42.35379 7.408663 7.509964       9.656145 
1 1 1 -13 2  33 o 20.52505 7.723433 15.81578       21.08893 0.8757221      26.66477 40.77000       34.46145 19.09327 8.130484 29.29814 10.00791 -10.20486      12.89430 
1 1 1 -13 2  34 o 79.83827 4.011225 314.9970       31.24646 326.8337       39.38760 294.9000       51.32286 81.11826 4.984678 76.50852 6.928244 4.609734       8.535079 
1 1 1 -13 2  35 o 19.75538 7.504034 14.31065       20.01656 9.103440       28.43187 19.42787       28.18512 21.09006 8.640743 23.14822 8.877173 -2.058167      12.38817 
1 1 1 -13 2  36 o 11.57138 5.609200 -32.32121      19.71387 -35.08941      28.15095 -29.65723      27.61600 14.76591 7.037791 15.11765 7.136242 -0.3517361     10.02280 
1 1 1 -13 2  37 o 63.76516 4.025823 201.8954       24.99895 183.3739       35.17293 220.8029       35.53761 60.20789 6.050202 66.28754 5.527351 -6.079651      8.194910 
1 1 1 -13 2  38 o 17.35327 7.254083 3.892016       20.59994 -2.709251      28.96867 10.64495       29.29957 19.05107 8.295033 21.46273 8.779997 -2.411661      12.07874 
1 1 1 -13 2  39 o 41.32349 5.872701 87.39999       23.08619 103.0247       32.38573 71.25710       32.91841 44.28407 7.753726 36.27717 9.244900 8.006893       12.06600 
1 1 1 -13 2  40 o 61.06603 4.388083 186.3824       26.05408 218.8236       37.48549 156.0642       36.23821 65.66785 5.894465 55.00458 6.880838 10.66327       9.060390 
1 1 1 -13 2  41 o 33.56270 7.351662 59.90607       23.48200 62.26218       33.20287 57.54836       33.21425 33.73440 9.598518 32.52784 9.700973 1.206566       13.64699 
1 1 1 -13 2  42 o 35.41335 7.117782 66.48486       23.81606 61.96678       33.70027 70.99262       33.66175 33.54475 9.709992 35.86130 9.456308 -2.316555      13.55381 
1 1 1 -13 2  43 o 36.83232 7.003069 72.06269       24.32529 62.42616       33.92703 82.25737       34.89573 33.44783 9.760298 38.42380 9.364903 -4.975971      13.52645 
1 1 1 -13 2  44 o 22.31370 8.790043 18.69849       28.21846 8.681579       32.92431 46.42000       54.77197 21.57006 9.103073 31.16356 12.25541 -9.593502      15.26633 
1 1 1 -13 2  45 o 30.35259 7.994911 51.05247       24.07843 73.21107       33.56932 27.57184       34.55621 35.74894 9.451161 25.11241 9.775670 10.63653       13.59736 
1 1 1 -13 2  46 o 25.85447 8.267943 36.33217       23.63766 14.65855       33.42760 58.00866       33.42981 22.44495 9.299790 31.74574 9.788441 -9.300781      13.50184 
1 1 1 -13 2  47 o 25.60147 8.779205 35.10129       26.52494 28.30000       43.47974 39.13292       33.47584 26.33513 10.72496 27.14208 9.814222 -0.8069458     14.53767 
1 1 1 -13 2  48 o 79.99738 6.100418 334.9070       47.40824 347.3000       65.76541 321.5000       68.40310 78.99214 8.646756 75.05186 9.525527 3.940285       12.86476 
1 1 1 -13 2  49 o 78.29988 4.779277 313.7864       36.45490 268.4000       63.41973 336.1831       44.55062 67.88281 9.830416 80.32189 5.703586 -12.43908      11.36521 
1 1 1 -13 2  50 o 32.69452 7.547333 60.04343       23.66409 62.50853       33.32066 57.53482       33.61341 32.29568 9.736127 31.03714 9.852048 1.258535       13.85117 
1 1 1 -13 2  51 o 62.44535 5.030159 201.9333       30.48601 224.4602       38.62255 164.7000       49.65417 65.00370 6.142976 52.32885 10.05946 12.67485       11.78681 
1 1 1 -13 2  52 o 80.18818 3.924766 326.0989       30.71207 336.6599       44.05346 316.1122       42.83885 79.99538 5.662719 77.48203 5.688108 2.513351       8.026267 
1 1 1 -13 2  53 o 51.31540 5.217467 137.9979       25.84277 142.3600       36.78389 133.7463       36.31500 50.27429 7.721399 48.55226 7.913677 1.722027       11.05650 
1 1 1 -13 2  54 o 49.79910 6.038074 133.0941       28.83192 110.3089       36.96273 168.5000       46.07605 43.01050 9.066010 53.32371 9.157522 -10.31321      12.88615 
1 1 1 -13 2  55 o 44.06443 5.926544 104.3225       24.91454 102.0422       35.54308 106.5252       34.93377 41.26566 9.049276 42.49348 8.692143 -1.227829      12.54762 
1 1 1 -13 2  56 o 26.06748 8.258133 39.50767       23.62708 59.09259       33.68774 20.54722       33.14632 30.78005 9.873104 22.57055 9.297296 8.209497       13.56163 
1 1 1 -13 2  57 o 19.65116 8.744205 1.150470       33.85729 -24.06000      46.09739 30.68000       49.89008 19.70044 9.275065 26.09081 11.11612 -6.390373      14.47740 
1 1 1 -13 2  58 o 35.24998 7.519616 71.49003       25.15381 53.21735       36.72786 87.63223       34.52040 29.04363 10.30577 37.60070 9.404293 -8.557072      13.95169 
1 1 1 -13 2  59 o 13.76931 6.620695 -29.84908      26.13633 18.98000       46.18918 -52.84761      31.69940 23.82583 10.42216 13.71258 6.745123 10.11325       12.41443 
1 1 1 -13 2  60 o 34.50791 7.532092 69.83585       24.72552 80.03085       35.63984 60.37581       34.33119 34.83453 9.955335 30.23859 9.986073 4.595940       14.10072 
1 1 1 -13 3  1  o 203.3284 4.837630 2025.304       96.28020 1839.000       157.3447 2136.814       121.7303 193.3906 8.331640 208.7140 5.964675 -15.32339      10.24664 
1 1 1 -13 3  2  o 499.6060 9.363564 12260.43       457.9045 12649.67       662.9678 11905.35       633.2065 506.3462 13.38813 491.2743 13.17976 15.07193       18.78691 
1 1 1 -13 3  3  o 173.2597 3.759323 1470.041       63.75486 1434.131       89.23717 1507.481       91.11824 170.9958 5.338098 175.3198 5.315818 -4.324005      7.533473 
1 1 1 -13 3  4  f 334.1714 6.403291 5474.976       209.4492 5381.518       292.9205 5572.748       299.6044 330.8930 9.052411 336.7177 9.098593 -5.824738      12.83474 
1 1 1 -13 3  5  o 109.6929 3.079154 589.6008       33.02831 602.0212       47.14738 577.6318       46.28279 110.7771 4.356615 108.5058 4.366650 2.271278       6.168283 
1 1 1 -13 3  6  o 281.5767 5.502152 3885.779       151.6476 3828.301       212.5250 3945.401       216.4531 279.1832 7.784644 283.4209 7.809800 -4.237671      11.02695 
1 1 1 -13 3  7  o 113.9827 3.147102 636.6370       35.07842 674.0010       50.63878 602.1665       48.63842 117.2140 4.421572 110.7777 4.494936 6.436287       6.305137 
1 1 1 -13 3  8  o 106.6969 3.149945 557.9250       32.86135 535.7430       46.07713 580.8860       46.87919 104.4750 4.516418 108.8024 4.410998 -4.327400      6.313076 
1 1 1 -13 3  9  o 499.3575 9.366815 12261.10       457.8358 12614.64       660.6912 11934.51       635.0263 505.1118 13.37480 491.3559 13.21551 13.75583       18.80252 
1 1 1 -13 3  10 o 8.623951 4.322172 -45.13516      15.64502 -39.37569      20.64883 -52.89764      23.97202 11.42712 5.584039 11.74379 5.793734 -0.3166685     8.046666 
1 1 1 -13 3  11 o 156.8159 3.592734 1204.467       55.14695 1222.101       78.49770 1187.282       77.49116 157.8163 5.088231 155.5488 5.096427 2.267487       7.201643 
1 1 1 -13 3  12 o 381.6534 7.259184 7153.173       271.1834 7104.193       381.6903 7203.100       385.3586 379.5570 10.28320 382.1843 10.31057 -2.627258      14.56201 
1 1 1 -13 3  13 o 94.71383 3.147780 439.8272       29.14205 426.6627       40.26770 454.3048       42.22835 93.20086 4.426635 96.17369 4.498280 -2.972832      6.311071 
1 1 1 -13 3  14 o 20.07996 7.044278 17.41806       17.12193 28.62595       23.03277 3.574632       25.59800 24.74256 8.179782 19.42550 8.100784 5.317059       11.51223 
1 1 1 -13 3  15 o 254.7915 5.078123 3183.808       126.6469 3122.628       176.7601 3248.346       181.5472 251.9711 7.174137 256.9884 7.224387 -5.017319      10.18136 
1 1 1 -13 3  16 o 357.7188 6.849844 6287.603       239.8439 6085.043       331.5288 6510.032       347.4091 351.0937 9.656163 363.1150 9.783330 -12.02127      13.74609 
1 1 1 -13 3  17 o 178.9952 3.925029 1570.214       68.76865 1528.717       95.71310 1614.494       98.87089 176.4061 5.549990 181.2890 5.578378 -4.882858      7.868970 
1 1 1 -13 3  18 o 71.68958 3.466826 252.4079       24.25521 252.2967       33.70819 252.5273       34.92842 71.55540 4.841179 71.57027 5.017651 -0.1486206E-01 6.972363 
1 1 1 -13 3  19 o 106.3143 3.238708 554.2806       33.66378 531.2451       46.45393 579.7560       48.85209 103.9740 4.575690 108.6235 4.605107 -4.649529      6.491838 
1 1 1 -13 3  20 f 117.6843 3.318210 679.1723       38.18517 656.3922       52.96810 703.8220       55.09889 115.5757 4.691864 119.6830 4.712526 -4.107353      6.649925 
1 1 1 -13 3  21 o 24.86034 7.834173 30.04259       21.28905 34.88213       25.86608 19.88000       37.48265 26.92980 8.652629 25.93929 10.15696 0.9905148      13.34286 
1 1 1 -13 3  22 o 208.3562 5.089562 2131.299       103.7990 2089.000       178.4445 2152.930       127.6093 205.4351 8.895142 209.1553 6.240120 -3.720276      10.86566 
1 1 1 -13 3  23 o 192.5996 4.814345 1820.781       90.76091 1851.116       111.7527 1762.000       155.5624 193.9681 5.892854 188.7105 8.443131 5.257614       10.29622 
1 1 1 -13 3  24 o 73.94396 4.247675 269.1273       30.61463 268.4575       36.55683 270.7000       56.01849 73.75962 5.094718 73.65154 7.893381 0.1080856      9.394765 
1 1 1 -13 3  25 o 293.2846 5.771838 4230.309       165.6951 4231.375       234.0697 4229.239       234.5875 292.4929 8.183722 292.4113 8.204156 0.8154297E-01  11.58799 
1 1 1 -13 3  26 o 274.9964 5.460371 3718.470       146.9790 3722.112       207.8797 3714.830       207.8398 274.3761 7.748091 274.1051 7.754289 0.2709656      10.96184 
1 1 1 -13 3  27 o 163.4727 4.283367 1312.966       68.47977 1190.000       110.6052 1389.404       87.20393 155.0416 7.308790 167.9941 5.309841 -12.95258      9.033981 
1 1 1 -13 3  28 o 65.15862 4.044314 209.2426       25.66710 190.9000       40.23163 221.8331       33.33171 61.82282 6.758296 66.96133 5.124358 -5.138504      8.481369 
1 1 1 -13 3  29 o 144.9846 4.077867 1033.342       57.81354 1017.000       97.18557 1042.292       71.92384 143.2302 6.952809 145.4388 5.059977 -2.208572      8.599123 
1 1 1 -13 3  30 o 81.28962 5.243772 326.9898       41.50133 293.0000       58.81329 360.7000       58.57095 76.36154 7.986519 85.02034 7.102909 -8.658798      10.68811 
1 1 1 -13 3  31 o 22.79243 9.192085 12.31188       31.58408 28.03000       46.44401 -1.211000      43.07885 29.07207 11.32854 23.84321 10.24762 5.228851       15.27578 
1 1 1 -13 3  32 o 79.59198 4.633581 313.3562       35.94267 304.2000       50.05841 323.1000       51.63967 77.98658 6.620195 80.38844 6.621368 -2.401855      9.363199 
1 1 1 -13 3  33 o 151.8308 3.683911 1134.357       54.74888 1127.665       77.30097 1141.092       77.55287 150.8772 5.242221 151.7788 5.227926 -0.9015808     7.403519 
1 1 1 -13 3  34 o 34.56555 6.901669 61.75456       22.53279 63.34831       28.42591 59.06000       36.96132 34.74256 8.442816 33.74307 10.27153 0.9994888      13.29607 
1 1 1 -13 3  35 o 27.93343 7.930983 40.49548       22.69265 35.83039       28.76052 48.19000       36.93667 27.17073 9.144024 31.10235 10.36101 -3.931614      13.81896 
1 1 1 -13 3  36 o 73.68404 3.689184 268.5408       26.52322 266.2965       37.33086 270.8285       37.69074 72.98090 5.261107 73.60071 5.266551 -0.6198120     7.444180 
1 1 1 -13 3  37 o 58.53462 4.218072 170.5197       24.00550 174.7989       33.74920 166.1377       34.15219 58.79667 5.945763 57.22890 6.195407 1.567776       8.586919 
1 1 1 -13 3  38 o 23.66216 7.815625 27.66491       21.02910 0.1341635      29.13308 57.61406       30.38573 19.55301 8.415757 32.80296 9.129681 -13.24994      12.41676 
1 1 1 -13 3  39 o 81.54340 3.678071 329.5784       29.28166 336.9391       41.53461 322.3051       41.28754 81.93904 5.205521 80.09838 5.295817 1.840660       7.425842 
1 1 1 -13 3  40 o 34.39804 6.959977 62.24118       22.62846 51.13575       32.02884 73.30875       31.97419 30.96766 9.586770 36.77723 8.964753 -5.809572      13.12528 
1 1 1 -13 3  41 o 22.71069 8.027577 24.20456       22.26643 -21.36135      31.37520 70.44048       31.60504 17.20822 7.949632 35.92738 9.005597 -18.71915      12.01239 
1 1 1 -13 3  42 o 53.56198 4.977195 145.0617       25.79585 167.8499       36.55332 122.4534       36.40879 56.95377 6.683939 47.94983 8.041797 9.003941       10.45684 
1 1 1 -13 3  43 f 33.66988 8.639746 62.43587       28.61321 45.98564       33.49049 106.9000       55.06054 29.36514 9.867232 42.32460 12.45697 -12.95946      15.89146 
1 1 1 -13 3  44 o 35.08350 7.329469 66.47547       24.35717 71.33331       33.61998 61.10890       35.33658 35.49054 9.493038 32.83636 10.05260 2.654179       13.82651 
1 1 1 -13 3  45 o 53.15910 5.139658 144.8503       26.41032 124.4233       37.32122 165.3402       37.37852 47.55572 8.320540 55.80668 6.996057 -8.250957      10.87089 
1 1 1 -13 3  46 o 32.01126 8.543223 57.84983       27.26679 94.91000       45.10064 36.50034       34.23125 39.56676 11.16282 26.75343 9.884372 12.81333       14.91004 
1 1 1 -13 3  47 o 67.70554 4.340591 232.2311       28.61446 234.0776       40.24040 230.3424       40.69740 66.80434 6.225583 66.16918 6.361851 0.6351624      8.901181 
1 1 1 -13 3  48 o 34.04454 7.481600 64.17982       24.24974 69.72332       34.35065 58.67254       34.23824 34.37075 9.757501 31.61823 9.931140 2.752529       13.92251 
1 1 1 -13 3  49 o 72.27972 4.871572 268.0419       34.26476 326.2000       63.19960 243.8294       40.77824 76.24162 8.619675 67.96870 6.197433 8.272919       10.61635 
1 1 1 -13 3  50 o 54.36559 5.602656 154.8672       29.38783 176.1000       54.70939 146.2560       34.84121 53.66454 10.78969 51.86202 7.045390 1.802521       12.88623 
1 1 1 -13 3  51 o 38.95893 6.458573 82.30015       23.76705 82.43293       34.80238 82.18410       32.53539 36.99308 9.547123 37.31232 9.010858 -0.3192406     13.12795 
1 1 1 -13 3  52 o 42.32909 6.663340 97.89026       26.69650 106.4408       34.04137 84.23000       43.02686 42.92865 8.402210 36.02370 11.10449 6.904949       13.92505 
1 1 1 -13 3  53 o 78.07475 4.466331 312.7944       33.99007 316.3836       43.11394 306.9000       55.25119 77.38396 5.732653 74.04537 7.737267 3.338593       9.629569 
1 1 1 -13 3  54 o 18.04667 7.622839 7.335623       23.12048 -8.467623      33.96964 20.97464       31.55799 18.58200 8.467204 22.44709 9.138746 -3.865097      12.45834 
1 1 1 -13 3  55 o 16.82371 7.354216 1.069226       22.96415 -2.244496      33.18360 4.114714       31.81221 19.13123 8.574628 19.68219 8.628438 -0.5509548     12.16446 
1 1 1 -13 3  56 o 30.91886 8.921309 57.76927       28.49023 70.32938       34.34365 30.05000       51.02003 33.49634 9.832708 26.28185 11.22071 7.214493       14.91934 
1 1 1 -13 3  57 o 27.15669 8.233653 43.50284       23.78224 24.06130       34.06821 61.98207       33.21437 23.22124 9.479680 31.38964 9.769974 -8.168398      13.61311 
1 1 1 -13 3  58 o 58.24205 7.035434 188.9688       39.29650 177.6000       53.48936 202.3000       57.92226 52.43919 10.78128 55.79202 10.99753 -3.352833      15.40070 
1 1 1 -13 3  59 o 24.51452 8.343642 35.14000       23.94927 25.95841       34.28523 43.88927       33.46832 23.30863 9.511919 26.77640 9.793651 -3.467770      13.65255 
1 1 1 -13 3  60 o 23.44734 8.313893 31.78407       23.89868 41.18640       34.49826 23.10837       33.13841 25.99286 9.856499 22.47259 9.280463 3.520269       13.53800 
1 1 1 -13 4  1  o 574.0658 10.71473 16208.90       602.0729 16839.93       875.0397 15641.60       829.6888 583.4270 15.33599 562.3692 15.08620 21.05780       21.51246 
1 1 1 -13 4  2  o 253.6115 7.108106 3157.245       176.2790 0.000000       0.000000 3157.245       176.2790 ?        ?        253.6115 7.108106 ?              ?        
1 1 1 -13 4  3  o 346.9002 6.628772 5901.049       225.0836 6081.878       325.3197 5734.994       311.7465 351.6962 9.458690 341.5330 9.334049 10.16318       13.28876 
1 1 1 -13 4  4  o 192.4158 4.693335 1813.807       88.39517 2002.000       164.0936 1736.870       104.9194 201.7657 8.326692 188.1600 5.703268 13.60570       10.09262 
1 1 1 -13 4  5  o 62.71342 5.186408 194.0396       31.55269 236.9000       50.22764 166.1000       40.55318 69.07343 7.551829 57.72327 7.343417 11.35015       10.53356 
1 1 1 -13 4  6  o 157.7190 3.583094 1218.187       55.31570 1215.528       78.55307 1220.802       77.90737 157.4141 5.104909 157.7594 5.051699 -0.3452606     7.181905 
1 1 1 -13 4  7  o 340.8975 6.529561 5699.746       217.8783 5742.488       309.9382 5657.988       306.3461 341.6768 9.275887 339.1590 9.236496 2.517731       13.09026 
1 1 1 -13 4  8  o 148.9168 3.484658 1086.030       50.79373 1102.877       72.55420 1069.837       71.13325 149.9371 4.950430 147.6733 4.928029 2.263840       6.985144 
1 1 1 -13 4  9  o 181.5051 3.912710 1613.700       69.51406 1592.982       97.87726 1634.787       98.74392 180.1732 5.556546 182.5262 5.533254 -2.353088      7.841691 
1 1 1 -13 4  10 o 100.2709 3.114427 492.8243       30.53041 506.4659       43.18139 479.1888       43.17164 101.5777 4.353119 98.79065 4.476166 2.787003       6.243854 
1 1 1 -13 4  11 o 76.32999 3.244621 285.8489       24.18653 315.9915       34.19554 255.6732       34.21432 80.18556 4.373350 72.05950 4.879545 8.126060       6.552567 
1 1 1 -13 4  12 o 227.7023 4.626030 2541.198       103.1056 2541.008       145.7682 2541.387       145.8585 227.4350 6.554695 227.4515 6.558287 -0.1654053E-01 9.272278 
1 1 1 -13 4  13 o 149.3539 3.497869 1092.685       51.13596 1111.767       72.71700 1074.017       71.92387 150.5052 4.942739 147.9224 4.974519 2.582809       7.012597 
1 1 1 -13 4  14 o 109.4313 3.160167 587.0270       33.81449 581.3754       47.25462 592.9579       48.40805 108.8169 4.445877 109.8922 4.509914 -1.075363      6.332862 
1 1 1 -13 4  15 o 80.84621 3.228298 320.6698       25.49560 312.4618       34.97506 329.9774       37.24430 79.70967 4.501004 81.90611 4.664839 -2.196442      6.482265 
1 1 1 -13 4  16 o 56.61555 3.808146 157.7779       20.98079 155.9151       28.56569 159.9599       30.91614 56.13091 5.260492 56.81545 5.633303 -0.6845398     7.707586 
1 1 1 -13 4  17 o 189.2580 4.061318 1755.676       75.23631 1725.536       105.1735 1787.265       107.6709 187.3976 5.740483 190.7187 5.774301 -3.321136      8.142217 
1 1 1 -13 4  18 o 199.4003 4.220785 1949.380       82.38067 1875.664       113.7747 2030.619       119.4393 195.3328 5.957615 203.2404 6.010468 -7.907669      8.462796 
1 1 1 -13 4  19 o 206.5114 4.329142 2091.300       87.50887 2056.787       122.2679 2127.547       125.3003 204.5107 6.114743 207.9944 6.161311 -3.483658      8.680544 
1 1 1 -13 4  20 o 113.4052 3.753097 631.0932       41.60355 632.4908       50.95969 628.3000       72.04266 113.4558 4.598271 112.8486 6.550254 0.6072464      8.003119 
1 1 1 -13 4  21 o 41.03230 6.528041 84.82893       25.34148 39.26000       46.11821 104.5393       30.33090 31.32235 11.48995 45.56472 7.026248 -14.24237      13.46801 
1 1 1 -13 4  22 o 158.9715 4.306847 1240.554       66.95524 1200.031       80.16902 1334.000       121.7406 156.2373 5.249681 164.3477 7.588208 -8.110458      9.227138 
1 1 1 -13 4  23 o 159.7757 4.314297 1253.277       67.41077 1272.948       82.58364 1214.000       116.6949 160.9061 5.250459 156.7311 7.629520 4.174973       9.261582 
1 1 1 -13 4  24 o 128.8888 3.446527 814.9415       43.44234 849.2745       61.74574 781.2872       61.13236 131.4340 4.807569 126.0368 4.964986 5.397148       6.911136 
1 1 1 -13 4  25 o 239.2498 4.872202 2811.451       114.0993 2898.618       163.9901 2729.657       158.8541 242.3952 6.918820 235.2220 6.906928 7.173248       9.776284 
1 1 1 -13 4  26 o 173.1094 4.452273 1472.243       75.37860 1565.000       132.5344 1427.892       91.64436 177.8339 7.631672 170.3078 5.504729 7.526154       9.409807 
1 1 1 -13 4  27 o 62.26508 4.096839 191.1313       24.83019 168.1000       38.79875 207.1075       32.31429 57.94591 6.980989 64.69659 5.145132 -6.750683      8.672173 
1 1 1 -13 4  28 f 95.51260 3.313498 447.9887       30.93110 413.9368       43.07643 484.2336       44.44187 91.62914 4.819809 99.15597 4.591428 -7.526825      6.656709 
1 1 1 -13 4  29 o 155.6110 3.674861 1188.729       55.97416 1115.294       76.76288 1272.109       81.79541 150.4056 5.222043 160.6463 5.208664 -10.24078      7.375630 
1 1 1 -13 4  30 o 32.40079 6.841490 53.92649       21.01578 45.78000       31.87793 60.18891       27.94960 30.37737 9.588322 34.08962 8.425173 -3.712244      12.76399 
1 1 1 -13 4  31 f 23.00727 9.116583 14.97373       30.51648 14.33000       44.40187 15.55000       42.01096 26.41284 10.80714 26.03413 10.56449 0.3787117      15.11300 
1 1 1 -13 4  32 o 42.30840 8.831131 93.16150       35.38868 99.78000       51.07457 87.05000       49.07933 43.36486 11.74504 40.67177 11.70126 2.693089       16.57906 
1 1 1 -13 4  33 o 107.1277 3.376435 564.8539       35.36095 571.3165       50.06207 558.4193       49.95399 107.4389 4.772284 106.2055 4.817805 1.233337       6.781293 
1 1 1 -13 4  34 o 35.36546 6.074710 63.94486       20.27121 61.10927       28.48527 66.85433       28.85392 34.10106 8.550570 35.68499 8.400874 -1.583931      11.98695 
1 1 1 -13 4  35 o 112.3095 3.851978 622.9128       42.28276 638.3962       52.99821 595.8000       70.13199 113.4237 4.784402 108.8871 6.611269 4.536636       8.160845 
1 1 1 -13 4  36 o 59.21825 4.643518 174.9297       26.70078 184.7458       33.56040 158.0000       44.07397 60.57644 5.728042 55.07177 8.445110 5.504662       10.20443 
1 1 1 -13 4  37 o 61.67841 4.102942 189.1053       24.62966 190.2542       34.59467 187.9244       35.07347 61.39130 5.826758 60.97088 5.952656 0.4204254      8.329780 
1 1 1 -13 4  38 o 52.64125 4.679102 138.8622       23.85892 123.9108       33.42661 154.3909       34.06569 48.92347 7.194932 54.97846 6.452901 -6.054989      9.664728 
1 1 1 -13 4  39 o 25.06771 7.830757 32.31136       21.31687 61.29589       30.10045 3.148381       30.19297 33.70432 8.967606 20.31673 8.651582 13.38759       12.46065 
1 1 1 -13 4  40 o 75.67735 3.845003 284.5653       28.38855 276.4212       40.25826 292.6204       40.03761 73.96410 5.602341 76.19360 5.403439 -2.229500      7.783532 
1 1 1 -13 4  41 o 21.08508 7.933310 18.15189       22.24932 33.84859       31.70311 2.917510       31.23275 26.61621 9.560299 20.47606 8.761544 6.140152       12.96780 
1 1 1 -13 4  42 o 108.8165 4.314484 591.5546       45.86361 586.2200       54.95305 603.8000       83.25787 107.8162 5.222705 107.3512 7.980493 0.4649277      9.537553 
1 1 1 -13 4  43 o 27.85520 8.152959 41.97720       23.64154 43.25531       32.45758 40.53279       34.50460 28.61129 9.713677 28.16568 9.989500 0.4456100      13.93361 
1 1 1 -13 4  44 o 22.58199 8.220895 23.95671       23.54183 20.16372       32.48600 28.15158       34.16366 23.46106 9.370173 25.31703 9.756742 -1.855967      13.52753 
1 1 1 -13 4  45 o 19.60988 8.117180 9.496898       25.43215 59.89000       40.72724 -22.71332      32.56089 32.25272 10.88139 17.12060 7.973958 15.13212       13.49032 
1 1 1 -13 4  46 o 45.05353 5.920094 106.3202       25.47631 97.05761       35.86790 115.7510       36.19218 41.26212 9.123353 45.62313 8.414374 -4.361012      12.41117 
1 1 1 -13 4  47 o 72.64507 4.137599 266.4749       29.29956 272.7236       41.42448 260.2192       41.44720 72.36794 5.899092 70.56470 6.059303 1.803238       8.456621 
1 1 1 -13 4  48 o 78.54429 3.920115 310.7711       30.04311 336.7899       42.68426 285.2270       42.29319 80.73613 5.432871 73.92992 5.893200 6.806213       8.015354 
1 1 1 -13 4  49 o 32.37819 7.660201 58.85418       23.89544 58.30833       33.66464 59.40845       33.92335 31.35167 9.847627 31.61193 9.879026 -0.2602615     13.94887 
1 1 1 -13 4  50 o 33.11844 8.258658 62.97245       26.67970 3.493000       48.52271 88.74661       31.94139 23.43490 10.44543 39.28152 8.550517 -15.84661      13.49883 
1 1 1 -13 4  51 o 26.02985 8.741027 38.40329       26.28213 93.70000       49.07113 16.16031       31.12239 37.55347 11.90171 21.71273 8.982777 15.84075       14.91110 
1 1 1 -13 4  52 o 62.89935 4.855598 204.7955       29.66349 220.0396       38.35295 182.1000       46.79697 64.15382 6.184139 55.99047 8.831158 8.163349       10.78114 
1 1 1 -13 4  53 o 18.45349 8.252138 -2.870710      30.54725 45.03000       50.53550 -30.45000      38.34574 28.52726 11.58293 17.52814 8.314006 10.99912       14.25788 
1 1 1 -13 4  54 o 38.60417 6.727320 82.30376       24.49692 93.06631       35.54446 72.56685       33.80844 39.09454 9.403856 34.21735 9.668739 4.877190       13.48766 
1 1 1 -13 4  55 o 21.31569 8.668509 18.13959       28.35656 9.065132       33.55104 40.83000       53.05384 20.79631 8.991530 27.89372 11.64948 -7.097412      14.71591 
1 1 1 -13 4  56 o 29.82717 7.930028 51.93521       23.54917 55.31392       33.78247 48.74152       32.84445 29.84610 9.907787 28.32043 9.767039 1.525673       13.91256 
1 1 1 -13 4  57 o 24.14234 8.780386 32.40987       26.84612 64.87000       46.40405 16.08004       32.91331 31.21651 11.51282 21.66688 9.120386 9.549627       14.68763 
1 1 1 -13 4  58 o 40.66957 7.410733 94.33705       28.41444 159.7000       50.42065 63.91805       34.39657 49.69373 10.68365 31.57733 9.958961 18.11640       14.60552 
1 1 1 -13 4  59 o 17.68893 7.576280 6.323379       23.39532 -5.459804      33.53562 17.49513       32.65395 18.51796 8.428294 21.59782 9.087441 -3.079855      12.39426 
1 1 1 -13 4  60 o 16.37734 7.275976 -0.7187299     23.34855 31.55208       33.48473 -31.25761      32.57380 24.04441 9.542580 15.53139 7.447875 8.513024       12.10503 
1 1 1 -13 5  1  f 115.7338 4.288850 656.9909       48.50152 0.000000       0.000000 656.9909       48.50152 ?        ?        115.7338 4.288850 ?              ?        
1 1 1 -13 5  2  o 319.2214 6.146517 4996.001       192.0558 5133.825       277.1645 4868.701       266.3726 323.1837 8.769677 314.7396 8.654550 8.444092       12.32106 
1 1 1 -13 5  3  o 164.5015 3.643367 1325.220       58.66500 1344.338       84.11385 1307.112       81.86168 165.5490 5.197243 163.2433 5.129539 2.305664       7.302294 
1 1 1 -13 5  4  o 451.7112 8.496100 10020.81       375.6528 10253.25       540.0652 9802.949       522.8591 455.9494 12.11178 445.8517 11.99175 10.09775       17.04399 
1 1 1 -13 5  5  o 211.4929 4.348380 2191.154       90.01801 2219.392       128.7184 2164.123       125.9365 212.6600 6.190293 209.9984 6.133311 2.661591       8.714197 
1 1 1 -13 5  6  o 80.02190 3.565574 314.2210       27.85816 313.8187       34.30563 315.0000       47.73693 79.91546 4.402605 79.91436 6.149992 0.1098633E-02  7.563421 
1 1 1 -13 5  7  o 311.1555 6.014076 4747.504       183.1692 4887.694       264.4229 4618.175       253.9738 315.2885 8.576069 306.4827 8.474103 8.805786       12.05651 
1 1 1 -13 5  8  o 215.2631 4.412600 2270.309       92.97591 2280.258       131.9489 2260.499       131.0315 215.5260 6.261243 214.5910 6.244821 0.9349670      8.843130 
1 1 1 -13 5  9  o 315.6921 6.095262 4888.166       188.3486 4972.062       269.6280 4808.212       263.2179 317.9204 8.672537 312.6459 8.609345 5.274536       12.22022 
1 1 1 -13 5  10 o 183.7715 3.949605 1654.447       71.04572 1678.361       101.3761 1631.367       99.59517 184.9195 5.607236 182.3116 5.587668 2.607849       7.916005 
1 1 1 -13 5  11 o 193.1133 4.091572 1827.185       77.34078 1763.693       107.4165 1895.532       111.4476 189.5346 5.796782 196.4969 5.800754 -6.962280      8.200697 
1 1 1 -13 5  12 o 106.6713 3.129525 557.7578       32.64093 574.0202       46.28799 541.6724       46.03553 108.1373 4.382148 105.0331 4.488104 3.104187       6.272663 
1 1 1 -13 5  13 o 90.44772 3.090979 401.1360       27.32507 393.7117       37.69587 409.3567       39.66634 89.52483 4.314440 91.27947 4.453027 -1.754639      6.200310 
1 1 1 -13 5  14 o 71.82246 3.243128 253.1904       22.74095 252.2269       30.93678 254.3230       33.54210 71.59548 4.436311 71.86102 4.796051 -0.2655334     6.533220 
1 1 1 -13 5  15 o 61.12672 3.502747 183.6573       20.87007 177.0071       28.25817 191.6376       30.95538 59.88328 4.862756 62.29726 5.121650 -2.413975      7.062414 
1 1 1 -13 5  16 o 96.31215 3.161855 454.8752       29.76736 448.9088       41.16430 461.4151       43.09698 95.58829 4.411460 96.90118 4.556481 -1.312897      6.342122 
1 1 1 -13 5  17 o 68.92331 3.455211 233.3400       23.23591 235.2529       31.36250 231.0123       34.59603 69.10332 4.663983 68.41898 5.204928 0.6843414      6.988850 
1 1 1 -13 5  18 o 98.54526 3.232704 476.2954       31.14008 451.6399       42.42696 505.0890       45.84935 95.85628 4.534696 101.3726 4.632931 -5.516350      6.482863 
1 1 1 -13 5  19 o 107.2860 3.735682 564.8593       39.17023 568.8898       48.07571 556.9000       67.55859 107.5960 4.575259 106.2301 6.528746 1.365936       7.972297 
1 1 1 -13 5  20 o 155.2208 4.269493 1182.497       64.80668 978.3000       104.3837 1310.574       82.66911 140.7204 7.606527 163.3115 5.178088 -22.59108      9.201731 
1 1 1 -13 5  21 o 147.9624 4.137859 1074.485       59.86964 1042.843       71.75243 1147.000       108.6225 145.6662 5.039953 152.4346 7.301204 -6.768387      8.871793 
1 1 1 -13 5  22 o 183.7975 4.668048 1658.869       83.91306 1754.490       105.3599 1493.000       138.7648 188.8695 5.705653 173.7475 8.182315 15.12206       9.975207 
1 1 1 -13 5  23 o 94.99027 3.347474 442.8051       31.07586 437.5226       43.00122 448.5800       44.96000 94.29957 4.673260 95.46993 4.826862 -1.170364      6.718479 
1 1 1 -13 5  24 f 192.1240 4.151910 1810.930       78.07927 1793.804       109.5874 1828.587       111.2734 190.8914 5.871983 192.7286 5.905433 -1.837234      8.327924 
1 1 1 -13 5  25 o 121.1921 3.805257 721.1383       45.08436 711.3000       72.87379 727.2388       57.38434 120.0393 6.223390 121.5854 4.831382 -1.546028      7.878632 
1 1 1 -13 5  26 o 195.9945 4.810698 1887.208       92.29075 1698.000       147.5953 2008.683       118.2627 185.0745 8.167529 201.9055 5.990652 -16.83095      10.12899 
1 1 1 -13 5  27 o 118.7028 3.320387 691.5482       38.54154 658.6066       53.80347 726.2681       55.23671 115.6648 4.762478 121.4860 4.653710 -5.821198      6.658694 
1 1 1 -13 5  28 o 96.96156 3.281919 461.6730       31.10335 394.6084       42.70333 537.4532       45.39339 89.44029 4.896459 104.4860 4.448598 -15.04575      6.615537 
1 1 1 -13 5  29 o 61.34425 3.742619 185.4583       22.36578 200.8030       31.46830 169.7942       31.79419 63.66080 5.092474 58.41953 5.629753 5.241276       7.591272 
1 1 1 -13 5  30 o 87.63102 3.698360 377.9000       31.65160 394.0000       51.28207 367.9927       40.22819 89.10882 5.912923 86.31330 4.780199 2.795517       7.603484 
1 1 1 -13 5  31 o 38.38589 5.775137 74.43935       21.02736 72.80000       32.13291 75.66711       27.80810 37.37761 8.909346 38.31424 7.682546 -0.9366302     11.76427 
1 1 1 -13 5  32 o 17.79749 8.200380 -24.28919      33.07362 -38.39000      47.83070 -11.37000      45.78281 20.97891 9.734654 23.20326 10.25455 -2.224348      14.13928 
1 1 1 -13 5  33 o 30.68075 8.018622 49.04903       24.34464 55.99000       47.93362 46.63629       28.26085 34.08776 11.79718 30.10985 8.940721 3.977917       14.80236 
1 1 1 -13 5  34 o 62.31865 3.864755 192.1709       23.45869 160.7566       32.13171 228.0273       34.32833 56.54583 5.891642 67.61585 5.227346 -11.07002      7.876331 
1 1 1 -13 5  35 o 69.18832 3.676753 236.6839       24.81083 245.4673       34.97652 227.7878       35.20018 70.13280 5.130555 67.48270 5.373349 2.650101       7.429366 
1 1 1 -13 5  36 o 64.40754 4.397428 206.4342       27.55680 216.4497       34.68804 189.3000       45.37056 65.67535 5.444884 60.58238 7.834314 5.092976       9.540610 
1 1 1 -13 5  37 o 78.64818 4.089694 307.0306       31.37554 288.6743       38.88097 341.3000       53.12477 75.90349 5.265870 82.00628 6.675961 -6.102791      8.502814 
1 1 1 -13 5  38 o 45.90087 5.100930 106.3615       22.53140 108.8652       31.04548 103.5751       32.75133 45.79710 7.159835 44.41410 7.819037 1.382992       10.60191 
1 1 1 -13 5  39 o 43.29424 5.574298 95.49930       23.07495 117.0556       32.27261 72.95271       33.00556 47.44611 7.172752 36.66078 9.210593 10.78533       11.67405 
1 1 1 -13 5  40 o 65.25946 4.186286 212.4653       26.60003 190.4803       37.39962 234.9717       37.84050 61.01915 6.354735 68.09489 5.730344 -7.075733      8.556839 
1 1 1 -13 5  41 o 19.34407 8.161384 4.705877       26.45285 3.484995       31.25169 7.791000       49.67902 20.56116 8.780200 25.63750 11.01152 -5.076345      14.08352 
1 1 1 -13 5  42 f 20.17455 7.916637 14.17225       22.81237 3.823486       31.35586 25.80948       33.25057 20.56039 8.787745 25.00253 9.628111 -4.442135      13.03553 
1 1 1 -13 5  43 f 16.06637 7.281651 -10.92354      24.70786 -25.04000      37.79985 -0.3928466     32.64793 18.63466 8.649291 20.15768 8.791004 -1.523020      12.33256 
1 1 1 -13 5  44 o 32.29346 8.243313 57.78643       26.14195 60.15000       40.29782 56.06899       34.35083 32.52008 10.82187 31.52020 9.953830 0.9998779      14.70345 
1 1 1 -13 5  45 o 35.26069 7.169806 67.46378       23.90206 57.31144       33.74951 77.68027       33.85596 31.63470 9.848700 36.80878 9.373085 -5.174076      13.59601 
1 1 1 -13 5  46 o 17.35835 7.480195 1.746435       23.06935 -50.11700      33.00037 51.31536       32.26212 14.74280 7.172023 30.01336 9.665259 -15.27057      12.03558 
1 1 1 -13 5  47 o 21.57385 8.106791 21.26914       23.21681 29.00213       33.28842 13.94485       32.39680 24.92869 9.624629 21.95889 9.131725 2.969807       13.26732 
1 1 1 -13 5  48 o 55.60657 4.824059 158.6045       25.99747 204.8568       37.31724 114.9879       36.23844 62.36281 6.195154 45.15194 8.511583 17.21087       10.52744 
1 1 1 -13 5  49 o 24.95880 8.148084 34.29063       22.88325 49.00485       32.36794 19.58759       32.35565 29.08427 9.699333 22.78031 9.261288 6.303961       13.41076 
1 1 1 -13 5  50 o 44.92028 5.558269 106.0446       23.91837 82.98052       33.78492 129.2203       33.86660 37.47062 9.264335 48.47632 7.369049 -11.00570      11.83768 
1 1 1 -13 5  51 o 46.40390 5.521087 113.5000       24.58643 80.54318       36.17483 141.7934       33.51791 36.21629 9.915972 50.97409 6.894289 -14.75780      12.07716 
1 1 1 -13 5  52 f 41.17149 7.213931 94.46101       28.01294 98.17000       53.42398 93.05455       32.89827 37.54753 12.45930 39.79909 8.689131 -2.251560      15.18997 
1 1 1 -13 5  53 o 27.92081 8.137838 45.31583       23.59746 21.94620       34.57941 65.68402       32.28255 23.17670 9.516157 32.76826 9.508983 -9.591558      13.45281 
1 1 1 -13 5  54 o 53.53902 7.459960 160.4810       38.03403 160.4810       38.03403 0.000000       0.000000 53.53902 7.459960 ?        ?        ?              ?        
1 1 1 -13 5  55 o 51.23185 5.923885 140.6137       29.15995 163.2307       37.78335 107.3000       45.85582 54.07007 7.327397 40.23780 11.22163 13.83227       13.40208 
1 1 1 -13 5  56 o 19.07611 8.101378 8.631735       26.35153 -36.48000      45.75448 31.02214       32.23442 18.70082 8.929605 24.39627 9.456945 -5.695442      13.00660 
1 1 1 -13 5  57 o 36.85276 7.186952 76.85956       24.99360 85.52325       36.12257 68.90257       34.61798 36.81438 9.836827 32.92161 9.923639 3.892769       13.97289 
1 1 1 -13 5  58 o 41.91697 6.428894 96.83194       25.53704 110.8648       38.09500 85.37964       34.41447 42.33125 9.435054 36.93652 9.473745 5.394730       13.37057 
1 1 1 -13 5  59 o 17.24224 7.710339 -1.674155      26.66639 -29.12000      47.64021 10.84860       32.17995 19.31073 9.190274 20.42053 8.817401 -1.109802      12.73608 
1 1 1 -13 5  60 o 17.01850 7.428443 3.188003       23.35546 0.9686690      33.98034 5.175237       32.15445 19.27760 8.655685 19.45549 8.596229 -0.1778946     12.19902 
1 1 1 -13 6  1  o 225.7575 6.459055 2501.542       142.5840 0.000000       0.000000 2501.542       142.5840 ?        ?        225.7575 6.459055 ?              ?        
1 1 1 -13 6  2  o 296.3618 8.164923 4316.023       236.6283 0.000000       0.000000 4316.023       236.6283 ?        ?        296.3618 8.164923 ?              ?        
1 1 1 -13 6  3  o 249.5903 4.960661 3052.599       121.1919 3130.650       174.5837 2980.007       168.3676 252.5015 7.070682 246.3562 6.989209 6.145355       9.942011 
1 1 1 -13 6  4  o 83.23260 3.952246 340.0846       32.10711 323.7000       43.86124 359.0000       47.12707 81.07278 5.560805 85.38876 5.670628 -4.315979      7.942202 
1 1 1 -13 6  5  o 265.0264 5.222806 3442.542       135.4875 3454.486       192.3980 3430.792       190.8282 265.1891 7.419347 264.2819 7.384054 0.9071350      10.46761 
1 1 1 -13 6  6  o 308.4142 5.967275 4664.305       180.1427 4750.675       258.3685 4582.597       251.2990 310.8322 8.499928 305.2938 8.417464 5.538452       11.96255 
1 1 1 -13 6  7  o 81.02534 3.133111 321.9635       24.80182 326.2244       35.31950 317.8187       34.83565 81.47691 4.445517 80.41742 4.442819 1.059494       6.285002 
1 1 1 -13 6  8  o 17.79372 6.582724 12.01156       15.19099 7.727508       19.83599 18.08785       23.62358 18.25771 7.311827 22.02424 8.197412 -3.766533      10.98455 
1 1 1 -13 6  9  o 264.0142 5.218309 3417.187       134.8538 3480.683       193.3162 3357.000       188.2105 266.1214 7.428606 261.3563 7.364408 4.765167       10.46034 
1 1 1 -13 6  10 o 81.23943 3.122031 323.6904       24.78000 317.9842       34.57318 329.7186       35.53504 80.43350 4.408183 81.90533 4.449098 -1.471832      6.263110 
1 1 1 -13 6  11 o 65.80521 3.280180 212.6183       21.06168 220.5442       28.99520 203.7650       30.64462 66.93507 4.450823 64.28427 4.907249 2.650803       6.625022 
1 1 1 -13 6  12 o 49.79085 3.810671 122.1729       18.43082 157.6633       24.86300 78.88005       27.46035 56.53408 4.530908 39.43356 7.385674 17.10051       8.664716 
1 1 1 -13 6  13 o 142.8611 3.426675 999.7931       47.91740 1002.428       67.73306 997.1531       67.79784 142.9006 4.849424 142.5221 4.867043 0.3784943      6.870591 
1 1 1 -13 6  14 o 202.1110 4.234818 2002.198       83.77820 1909.449       115.2828 2106.000       121.9595 197.1378 5.981236 207.0387 6.024487 -9.900879      8.489383 
1 1 1 -13 6  15 o 164.3389 3.696605 1323.361       59.46338 1307.790       83.35213 1339.498       84.85586 163.1886 5.224935 165.1537 5.255821 -1.965134      7.411046 
1 1 1 -13 6  16 o 193.4261 4.122187 1833.971       78.04572 1714.323       106.2262 1974.317       115.0474 186.7744 5.817522 200.4432 5.870128 -13.66878      8.264500 
1 1 1 -13 6  17 o 105.5559 3.656760 546.6880       37.72496 556.3619       45.99381 526.8000       65.94689 106.4251 4.424841 103.3228 6.554452 3.102264       7.908228 
1 1 1 -13 6  18 o 101.6102 3.876228 506.8308       38.48181 501.4000       69.62551 509.2195       46.17546 100.7038 7.109132 101.7827 4.647060 -1.078941      8.493228 
1 1 1 -13 6  19 o 126.6870 3.337057 787.0045       41.34507 741.1515       56.45550 840.0436       60.71849 122.8194 4.704756 130.7631 4.751737 -7.943741      6.686832 
1 1 1 -13 6  20 o 130.6590 3.911777 837.7493       49.97242 824.2343       60.29518 867.4000       89.30813 129.5161 4.764239 132.5847 6.905431 -3.068634      8.389455 
1 1 1 -13 6  21 o 37.42773 6.411228 70.81856       22.64328 82.10412       26.55960 40.79000       43.32384 40.26994 6.991529 31.11639 11.17604 9.153553       13.18276 
1 1 1 -13 6  22 o 66.11250 3.734023 214.9752       24.06566 244.1419       32.84908 181.1848       35.35711 70.36397 4.798141 60.40458 6.061837 9.959385       7.730978 
1 1 1 -13 6  23 o 146.2448 4.071785 1049.902       58.23025 897.3000       90.35403 1158.308       76.15464 134.8004 6.870445 153.4901 5.075835 -18.68973      8.542079 
1 1 1 -13 6  24 o 107.5036 3.696519 567.4175       38.83967 534.3000       60.12307 591.1365       50.88155 104.0508 5.927752 109.6183 4.753405 -5.567459      7.598229 
1 1 1 -13 6  25 o 181.2386 4.579283 1613.937       81.17206 1682.000       140.3230 1579.708       99.51133 184.3436 7.794278 179.1149 5.683091 5.228699       9.646154 
1 1 1 -13 6  26 o 218.3327 4.538033 2341.341       96.98236 2221.303       133.1506 2476.983       141.5411 212.1896 6.418188 224.0677 6.460273 -11.87805      9.106495 
1 1 1 -13 6  27 f 115.9090 3.299129 659.4296       37.39215 621.9808       52.11390 699.1658       53.68193 112.3903 4.747860 119.1916 4.609947 -6.801247      6.617688 
1 1 1 -13 6  28 o 79.28297 3.365446 308.9390       26.05792 277.9601       36.21455 342.1973       37.52320 75.00175 4.960811 83.29997 4.620121 -8.298225      6.779024 
1 1 1 -13 6  29 o 166.1333 3.792298 1355.609       61.66877 1280.029       84.64929 1441.092       90.02428 161.0592 5.377009 170.8994 5.388352 -9.840164      7.612264 
1 1 1 -13 6  30 o 61.46938 3.656614 186.2803       21.90166 175.3478       30.28367 198.2691       31.71301 59.39444 5.263461 63.20089 5.171530 -3.806446      7.378939 
1 1 1 -13 6  31 o 73.01157 3.423736 262.4731       24.39984 254.2446       33.89404 271.3245       35.15358 71.63438 4.862701 74.00877 4.879895 -2.374382      6.889066 
1 1 1 -13 6  32 o 68.33231 4.014523 230.7239       26.73307 238.6000       41.80885 225.2766       34.76954 69.03246 6.255233 67.27416 5.323493 1.758293       8.213861 
1 1 1 -13 6  33 o 32.11449 9.610270 53.33787       32.55361 33.04000       48.16336 70.41000       44.17083 29.94669 11.57298 36.72324 11.23851 -6.776546      16.13190 
1 1 1 -13 6  34 o 19.88792 7.989811 10.13171       23.76319 -48.50000      48.07475 29.08896       27.33622 20.04181 9.446903 25.25600 8.897512 -5.214199      12.97728 
1 1 1 -13 6  35 o 34.04830 7.853039 60.95196       25.63831 13.24000       50.87241 77.19607       29.68360 27.25570 11.39702 38.31733 8.164340 -11.06163      14.01958 
1 1 1 -13 6  36 o 75.83991 3.612215 284.5164       26.73791 289.9745       37.65366 278.9649       37.97460 76.17490 5.078989 74.66229 5.229261 1.512611       7.289808 
1 1 1 -13 6  37 o 34.34364 7.104740 61.81335       23.09525 84.17638       28.81253 21.62000       38.62719 40.05718 7.626924 25.71865 10.23548 14.33853       12.76460 
1 1 1 -13 6  38 o 74.43946 4.209923 275.7775       30.54990 299.5864       38.00504 232.3000       51.35746 77.31996 5.049237 66.84234 8.008824 10.47762       9.467632 
1 1 1 -13 6  39 o 14.55652 6.729648 -16.78552      22.54552 -16.96975      27.40808 -16.40000      39.64814 16.40814 7.525241 20.40266 9.237815 -3.994522      11.91497 
1 1 1 -13 6  40 o 35.01051 7.878956 65.58718       26.34648 52.32704       30.63007 103.3000       51.65572 31.16963 9.320726 42.54141 11.92699 -11.37177      15.13701 
1 1 1 -13 6  41 o 24.44730 8.027139 30.39303       22.19471 10.12874       30.51358 53.15903       32.34229 21.47647 8.890635 31.32141 9.622581 -9.844944      13.10105 
1 1 1 -13 6  42 o 64.40031 4.804083 209.2107       30.06522 192.0000       46.38390 221.6808       39.48234 60.08043 8.092916 65.65889 6.217387 -5.578461      10.20545 
1 1 1 -13 6  43 o 63.59148 4.835079 204.7512       29.87041 162.2000       45.51042 236.9542       39.59159 54.47694 8.837317 67.82980 6.025802 -13.35287      10.69619 
1 1 1 -13 6  44 o 17.50442 7.446931 3.299491       22.33325 4.831016       30.91684 1.628253       32.29627 20.32579 8.707620 20.19851 8.776969 0.1272774      12.36357 
1 1 1 -13 6  45 o 23.16200 8.137544 27.02337       22.85469 -28.59922      32.20251 83.47514       32.44165 16.38402 7.725509 38.45776 8.807998 -22.07374      11.71599 
1 1 1 -13 6  46 o 31.70704 7.684542 55.85960       23.59756 75.90359       34.33231 37.91127       32.48799 36.08978 9.565761 26.79608 9.671124 9.293699       13.60274 
1 1 1 -13 6  47 o 50.60038 5.929605 134.3328       28.81232 160.9000       48.89431 120.1998       35.66188 52.60580 9.857632 46.51935 8.127505 6.086449       12.77612 
1 1 1 -13 6  48 o 19.69097 7.889346 13.70797       23.10387 -7.310411      32.99110 33.93677       32.36548 18.85664 8.492449 25.72740 9.591236 -6.870760      12.81068 
1 1 1 -13 6  49 o 54.51395 4.867510 153.0531       25.69996 162.6747       36.47501 143.5671       36.21685 54.86494 6.947475 51.15262 7.452200 3.712318       10.18836 
1 1 1 -13 6  50 f 57.68832 4.583827 170.6495       25.67079 184.0400       37.60807 158.9676       35.12678 58.47890 6.690439 54.26185 6.759769 4.217052       9.510860 
1 1 1 -13 6  51 o 43.45180 6.819771 103.4472       28.05165 89.25000       53.07699 108.9497       33.04362 36.10117 12.41748 43.77335 8.007056 -7.672180      14.77521 
1 1 1 -13 6  52 o 36.34630 6.999367 73.57748       23.99813 69.06371       36.12307 77.14352       32.10764 33.17589 10.16523 35.79232 9.135149 -2.616432      13.66685 
1 1 1 -13 6  53 o 52.69800 8.173088 158.5696       40.79406 120.7000       55.96549 201.5000       59.58775 41.43480 12.64450 56.18787 11.22746 -14.75307      16.90974 
1 1 1 -13 6  54 o 41.32731 6.483631 93.38914       25.36556 118.2732       37.29200 71.96390       34.60334 44.75271 8.826887 33.94657 9.843069 10.80614       13.22119 
1 1 1 -13 6  55 o 60.40492 6.266325 196.9044       36.51264 230.8000       56.03923 171.9000       48.13152 61.93713 9.550057 53.31770 9.574427 8.619431       13.52306 
1 1 1 -13 6  56 o 30.77581 8.644181 56.84724       27.10726 21.22906       34.83802 111.5000       43.15427 22.90093 9.491811 41.62305 10.57319 -18.72211      14.20869 
1 1 1 -13 6  57 o 37.97030 7.049905 81.07865       25.23756 67.42561       37.32633 92.57653       34.25387 32.26356 10.39677 38.98568 9.136671 -6.722126      13.84094 
1 1 1 -13 6  58 o 26.14494 8.351868 40.62149       24.12494 60.24023       36.45438 25.33401       32.17970 30.45178 10.29473 23.02784 9.281420 7.423939       13.86096 
1 1 1 -13 6  59 o 19.85467 7.951382 17.10228       23.45782 2.734265       34.22232 29.83590       32.21713 19.64796 8.763896 23.68887 9.373350 -4.040916      12.83221 
1 1 1 -13 6  60 o 22.09595 8.826522 24.56674       28.83085 13.76663       34.99858 47.37000       50.85514 21.15398 9.164765 27.38693 11.41923 -6.232952      14.64212 
1 1 1 -13 7  1  o 301.5519 8.312294 4470.206       245.1177 4978.000       373.2106 4085.000       325.0548 317.4766 12.03158 287.6520 11.56831 29.82462       16.69085 
1 1 1 -13 7  2  o 313.0185 6.040098 4804.717       185.0633 4884.840       265.0746 4728.528       258.4876 315.1849 8.600082 310.1102 8.523727 5.074707       12.10848 
1 1 1 -13 7  3  o 280.6242 5.485548 3860.446       150.6785 3969.979       217.4517 3759.278       208.9838 284.2307 7.823461 276.5934 7.726631 7.637238       10.99579 
1 1 1 -13 7  4  o 156.3997 4.123506 1199.107       63.07100 1293.000       116.7899 1160.451       74.93816 162.1295 7.378649 153.7975 4.984498 8.331985       8.904475 
1 1 1 -13 7  5  o 278.4643 5.454256 3801.445       148.6659 3714.391       207.5068 3893.251       213.0952 274.9178 7.718863 281.4606 7.742167 -6.542816      10.93261 
1 1 1 -13 7  6  o 161.0809 3.620249 1270.862       57.08064 1245.975       80.37659 1296.183       81.07638 159.3498 5.159943 162.5365 5.102411 -3.186752      7.256694 
1 1 1 -13 7  7  o 305.6601 5.922615 4582.299       177.1979 4717.950       255.8866 4457.315       245.6198 309.6951 8.449147 301.0320 8.343797 8.663147       11.87464 
1 1 1 -13 7  8  o 217.6862 4.472455 2322.166       95.29786 2279.721       134.0267 2365.568       135.5289 215.4536 6.362202 219.4817 6.315082 -4.028107      8.964254 
1 1 1 -13 7  9  o 301.7144 5.862129 4465.521       173.1241 4554.828       248.6190 4381.451       241.2177 304.2413 8.356442 298.4078 8.266305 5.833496       11.75423 
1 1 1 -13 7  10 o 316.9387 6.127250 4929.289       190.0847 4943.332       269.8882 4915.465       267.7651 316.8421 8.710580 315.9569 8.666231 0.8851929      12.28730 
1 1 1 -13 7  11 o 104.8806 3.093628 539.2074       31.72447 534.4114       44.42397 544.1987       45.31979 104.3307 4.359704 105.2798 4.407563 -0.9490356     6.199486 
1 1 1 -13 7  12 o 192.9340 4.083136 1824.186       77.10965 1832.413       109.3260 1816.041       108.7751 193.1534 5.789025 192.2882 5.785819 0.8652039      8.184650 
1 1 1 -13 7  13 o 160.2840 3.636787 1258.737       57.05770 1188.630       78.43595 1337.532       83.15414 155.5850 5.157530 165.0533 5.153306 -9.468262      7.290863 
1 1 1 -13 7  14 o 9.233647 4.521720 -27.07572      13.75429 -19.94997      16.59710 -42.69928      24.57575 11.60173 5.493198 12.81117 6.222436 -1.209438      8.300237 
1 1 1 -13 7  15 o 19.74159 6.748704 17.52692       15.67130 -2.979878      19.65211 53.34257       25.97148 15.83955 6.864917 32.29704 8.201485 -16.45749      10.69539 
1 1 1 -13 7  16 o 149.0840 4.092568 1090.376       59.66532 1051.780       71.86528 1176.000       107.0406 146.3301 5.024862 154.4702 7.098390 -8.140167      8.696918 
1 1 1 -13 7  17 o 149.8811 4.176537 1102.274       61.21329 940.7000       101.1411 1195.668       76.89596 138.0355 7.514004 156.0167 5.041930 -17.98117      9.048830 
1 1 1 -13 7  18 o 180.2997 4.521908 1595.545       79.74071 1583.000       134.1885 1602.393       99.14486 179.1091 7.671826 180.5467 5.616983 -1.437607      9.508282 
1 1 1 -13 7  19 o 59.51939 4.213954 174.5949       24.39144 169.5688       28.60084 188.0000       46.70889 58.56250 5.038384 61.25102 7.980342 -2.688515      9.437753 
1 1 1 -13 7  20 o 58.92430 4.287966 171.1972       24.56233 155.9283       28.65428 213.5000       47.69474 56.10595 5.279703 65.39333 7.592236 -9.287380      9.247557 
1 1 1 -13 7  21 o 38.01363 5.308634 72.33078       19.21483 85.06490       24.89772 53.57607       30.21554 41.10612 6.395895 32.47372 9.128195 8.632393       11.14592 
1 1 1 -13 7  22 o 131.3539 3.421632 846.3019       43.95541 900.7135       62.91159 794.4073       61.43924 135.3765 4.755061 127.1037 4.947797 8.272858       6.862310 
1 1 1 -13 7  23 o 188.1194 4.682760 1737.357       86.22669 1779.000       148.1414 1716.020       106.0406 189.6351 7.998855 186.7162 5.809150 2.918915       9.885742 
1 1 1 -13 7  24 o 90.57645 3.678303 403.0144       32.54353 443.5000       51.05630 375.3097       42.23530 94.81278 5.525381 87.26542 4.965042 7.547363       7.428423 
1 1 1 -13 7  25 o 64.52367 3.557446 204.7948       22.38101 184.9432       30.39643 228.3009       33.07615 61.12976 5.127197 67.97858 5.006031 -6.848824      7.165786 
1 1 1 -13 7  26 o 125.7579 3.356969 776.1544       41.28574 726.0782       57.01645 831.3519       59.86108 121.4516 4.805613 129.9848 4.712650 -8.533165      6.730749 
1 1 1 -13 7  27 o 147.5162 3.564073 1067.749       51.46269 1025.761       71.60528 1112.608       74.01289 144.3088 5.077187 150.3082 5.037704 -5.999359      7.152362 
1 1 1 -13 7  28 o 135.1023 3.877298 897.1030       51.22106 815.7000       81.74727 949.7188       65.72208 128.3163 6.530038 138.8484 4.843169 -10.53218      8.130049 
1 1 1 -13 7  29 o 94.41023 3.219772 437.9258       29.71081 423.2925       41.24665 453.7065       42.83310 92.63531 4.562936 95.91115 4.575710 -3.275833      6.462005 
1 1 1 -13 7  30 o 99.41727 3.255443 485.7813       31.63677 449.7144       43.51478 526.2213       46.07742 95.43390 4.672508 103.2696 4.569684 -7.835724      6.535621 
1 1 1 -13 7  31 o 39.39776 5.053032 77.86581       19.03824 78.05898       25.34713 77.61578       28.83762 39.06490 6.880029 38.73706 7.874154 0.3278351      10.45644 
1 1 1 -13 7  32 o 97.11018 5.154961 467.8012       48.82449 524.0000       73.58466 423.6000       65.25911 102.0848 7.414651 91.76250 7.326373 10.32227       10.42367 
1 1 1 -13 7  33 o 13.90634 6.215026 -6.968506      17.29970 -25.79673      22.59887 19.68303       26.88704 13.57459 6.422141 22.92900 8.699947 -9.354407      10.81356 
1 1 1 -13 7  34 o 94.14094 5.266415 441.3597       48.33538 388.6000       69.06804 492.0000       67.66660 87.24702 8.183122 98.75513 7.046466 -11.50810      10.79890 
1 1 1 -13 7  35 o 99.02313 4.048114 485.4204       39.15426 483.9000       72.48904 486.0467       46.52498 97.45826 7.660376 98.85231 4.822874 -1.394051      9.052153 
1 1 1 -13 7  36 o 14.12975 6.644098 -23.81010      23.52476 -43.23000      48.61517 -17.87246      26.88160 20.46194 9.599363 16.18021 7.432484 4.281731       12.14041 
1 1 1 -13 7  37 o 53.97067 4.492579 145.6051       23.51837 149.1442       32.69067 141.8083       33.86013 54.09760 6.290821 52.58363 6.732850 1.513966       9.214429 
1 1 1 -13 7  38 f 53.83793 5.035891 145.9010       26.23022 153.5254       32.59896 131.9000       44.17561 54.86655 6.177236 49.49922 9.462340 5.367332       11.30018 
1 1 1 -13 7  39 o 98.46844 4.947277 485.5893       47.53090 485.5893       47.53090 0.000000       0.000000 98.46844 4.947277 ?        ?        ?              ?        
1 1 1 -13 7  40 o 25.36503 8.340427 32.75578       23.95757 40.93511       30.05463 18.50000       39.67784 28.14874 9.345185 25.11641 10.23907 3.032330       13.86258 
1 1 1 -13 7  41 o 23.32184 8.320212 25.53787       23.96897 47.02000       37.64673 10.89354       31.08303 30.14381 10.45377 21.74274 8.984423 8.401068       13.78409 
1 1 1 -13 7  42 o 14.40650 6.738999 -20.64282      23.66843 -50.58000      35.78416 2.639651       31.55731 15.79660 7.633170 20.36688 8.762397 -4.570283      11.62088 
1 1 1 -13 7  43 o 12.34690 5.955202 -30.95708      21.53659 -34.90276      29.31108 -26.32759      31.74955 14.91917 7.130229 16.59054 7.774974 -1.671370      10.54943 
1 1 1 -13 7  44 o 60.38509 4.471185 184.6001       26.24017 172.0499       36.31566 198.3106       37.95714 57.18090 6.609945 61.56603 6.391528 -4.385124      9.194727 
1 1 1 -13 7  45 o 16.91194 7.309063 0.8559739      22.15169 37.11151       31.60974 -34.13174      31.05214 26.63818 9.548870 15.46510 7.376747 11.17308       12.06637 
1 1 1 -13 7  46 o 28.08513 8.075285 44.06305       23.38146 28.71351       34.10012 57.68280       32.12128 25.04095 9.721273 31.56350 9.568736 -6.522551      13.64052 
1 1 1 -13 7  47 o 49.92149 5.352665 129.2491       25.74762 144.1729       37.71676 116.2247       35.23507 51.27032 7.757822 45.67565 8.181535 5.594677       11.27481 
1 1 1 -13 7  48 o 102.3091 3.699220 525.8122       36.98412 513.6365       52.44211 537.8599       52.16586 99.68598 5.394621 102.1739 5.233466 -2.487930      7.516057 
1 1 1 -13 7  49 o 43.66619 5.798959 100.7943       24.17357 102.3425       34.61844 99.32111       33.77052 42.19992 8.671056 41.62369 8.574301 0.5762329      12.19450 
1 1 1 -13 7  50 o 47.67467 6.176724 121.4394       28.14701 114.0941       35.53944 133.8000       46.10262 44.64952 8.440995 46.80081 10.33989 -2.151287      13.34780 
1 1 1 -13 7  51 o 30.78977 7.684890 54.29347       23.08617 54.69215       34.50765 53.97045       31.06121 29.94608 10.01536 29.91274 9.467649 0.3334427E-01  13.78201 
1 1 1 -13 7  52 o 51.57738 6.410357 144.0629       31.66657 160.4342       38.62513 110.5000       55.30437 53.48180 7.591347 39.48944 12.64854 13.99236       14.75175 
1 1 1 -13 7  53 o 47.57780 5.621840 120.1134       25.67607 142.6385       37.82840 100.8710       34.96347 50.06801 7.987001 41.23271 8.922478 8.835300       11.97509 
1 1 1 -13 7  54 o 75.67576 5.779203 303.9158       42.48477 0.000000       0.000000 303.9158       42.48477 ?        ?        75.67576 5.779203 ?              ?        
1 1 1 -13 7  55 o 17.88733 7.832283 1.967566       26.14308 -18.23000      47.43487 10.77912       31.33102 20.54964 9.588799 20.57361 8.788587 -0.2397728E-01 13.00709 
1 1 1 -13 7  56 o 21.59245 8.477778 21.70717       26.17346 -16.64110      34.19987 75.92000       40.66330 17.62047 8.195093 33.87802 10.84526 -16.25755      13.59335 
1 1 1 -13 7  57 f 45.69708 6.693432 115.3366       29.05194 132.7638       38.66084 92.73000       44.03261 47.38646 8.653880 37.05217 11.19706 10.33429       14.15146 
1 1 1 -13 7  58 o 16.92207 7.409290 1.781136       23.39319 26.06635       35.33309 -17.17228      31.21436 23.51678 9.633463 16.63381 7.767163 6.882975       12.37467 
1 1 1 -13 7  59 o 27.21364 8.272168 44.98194       23.98413 17.09435       35.03168 69.58703       32.90546 21.79236 9.300718 32.76070 9.626753 -10.96834      13.38573 
1 1 1 -13 8  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 8  3  o 502.8069 9.451265 12438.63       465.1547 12432.06       659.4377 12445.14       656.2301 501.1461 13.45539 501.4406 13.38193 -0.2944946     18.97692 
1 1 1 -13 8  4  o 226.4130 5.315266 2513.161       117.7965 2622.000       211.1362 2463.971       141.9413 230.6622 9.370981 224.0004 6.480529 6.661865       11.39353 
1 1 1 -13 8  5  o 161.9305 3.623755 1284.364       57.43727 1243.223       80.54369 1326.934       81.93122 159.1647 5.176742 164.4482 5.096107 -5.283478      7.264225 
1 1 1 -13 8  6  o 15.80271 6.226329 6.791356       14.16079 -8.771279      19.07386 25.90369       21.13752 14.52880 6.507178 23.60435 7.837191 -9.075558      10.18651 
1 1 1 -13 8  7  o 221.7397 4.523006 2409.658       98.16956 2390.348       138.6738 2429.057       138.9922 220.6033 6.428947 222.3884 6.391795 -1.785110      9.065672 
1 1 1 -13 8  8  o 175.6015 3.827635 1510.691       65.79076 1553.738       95.08444 1471.153       91.12613 177.9082 5.466671 173.1189 5.384192 4.789291       7.672940 
1 1 1 -13 8  9  o 61.97611 3.339823 188.6835       20.18583 185.1728       27.80622 192.5950       29.35050 61.28508 4.670512 62.49218 4.835858 -1.207100      6.723035 
1 1 1 -13 8  10 o 130.8188 3.296525 838.7896       42.17805 840.3099       60.01518 837.3058       59.28900 130.8391 4.693768 130.6087 4.645022 0.2303925      6.603611 
1 1 1 -13 8  11 o 90.51673 3.080801 401.7603       27.25620 422.2757       38.53159 381.2139       38.56059 92.72327 4.256790 88.07137 4.487834 4.651901       6.185541 
1 1 1 -13 8  12 o 237.0716 4.783282 2755.923       110.9971 2739.036       156.6711 2772.941       157.2779 236.0187 6.788718 237.4788 6.772991 -1.460052      9.589582 
1 1 1 -13 8  13 o 60.61808 3.402861 180.5851       20.10970 188.5653       26.85769 170.4026       30.33812 61.85749 4.465846 58.69292 5.339139 3.164566       6.960617 
1 1 1 -13 8  14 o 86.98975 3.164679 371.1785       26.90169 345.6913       36.47095 401.5944       39.84159 83.84978 4.459681 90.38837 4.517484 -6.538582      6.347945 
1 1 1 -13 8  15 o 185.4979 5.774010 1691.134       104.7113 1587.000       144.8853 1805.000       151.5047 179.2892 8.278235 191.2635 8.111008 -11.97429      11.58955 
1 1 1 -13 8  16 o 129.1057 3.319548 817.2330       41.91506 738.1870       56.49546 914.0183       62.51412 122.5826 4.717262 136.4248 4.688396 -13.84229      6.650836 
1 1 1 -13 8  17 o 219.5865 4.531918 2365.111       97.40784 2277.690       134.5914 2461.264       141.1537 215.1597 6.397835 223.6591 6.454372 -8.499451      9.087971 
1 1 1 -13 8  18 o 135.4922 3.924917 900.7913       51.99878 870.8767       62.45194 968.4000       93.88713 133.1358 4.800167 140.1271 6.865970 -6.991318      8.377538 
1 1 1 -13 8  19 o 104.5875 3.686695 536.8707       37.68283 521.1930       44.95776 573.9000       69.09346 102.9776 4.470866 107.8150 6.578454 -4.837334      7.953911 
1 1 1 -13 8  20 o 102.9605 3.266687 520.0261       32.88020 516.2826       45.30964 524.1905       47.78859 102.4792 4.528164 103.2406 4.741642 -0.7613297     6.556481 
1 1 1 -13 8  21 o 159.3019 3.708121 1244.192       57.82038 1185.254       79.75499 1309.487       83.94667 155.2566 5.255672 163.1984 5.261984 -7.941803      7.437107 
1 1 1 -13 8  22 o 117.5601 3.784714 678.4178       43.49436 738.6000       72.05505 643.9195       54.55433 122.3955 6.032997 114.4134 4.882540 7.982079       7.761201 
1 1 1 -13 8  23 o 86.19281 3.625881 364.9452       30.52248 374.1000       45.53638 357.4764       41.12979 87.07981 5.368481 85.16697 4.955173 1.912842       7.305773 
1 1 1 -13 8  24 o 205.7852 4.336309 2078.734       87.34552 2000.284       120.3704 2165.984       126.9419 201.4786 6.110642 209.6458 6.192825 -8.167221      8.700059 
1 1 1 -13 8  25 o 178.5018 3.943532 1563.627       68.90239 1469.983       94.34135 1670.684       100.8715 172.7513 5.586580 184.1754 5.601906 -11.42412      7.911462 
1 1 1 -13 8  26 o 230.6843 4.729222 2615.611       106.7859 2487.948       146.5278 2760.217       155.9482 224.4113 6.678092 236.3590 6.747561 -11.94765      9.493499 
1 1 1 -13 8  27 o 205.0645 4.338114 2066.353       87.07583 1913.753       117.8848 2249.585       129.1759 196.8622 6.125171 213.4325 6.189758 -16.57036      8.708089 
1 1 1 -13 8  28 o 205.3901 4.333301 2074.044       87.11732 2078.179       123.2296 2069.912       123.1753 205.0331 6.147177 204.6213 6.156884 0.4117889      8.700287 
1 1 1 -13 8  29 f 82.56099 3.228301 335.0846       26.03858 324.9941       35.75502 346.4791       37.99521 81.13260 4.520180 83.75813 4.652706 -2.625534      6.486887 
1 1 1 -13 8  30 o 70.99024 3.378265 248.1079       23.40726 237.3542       31.97543 260.5242       34.35864 69.22985 4.747374 72.52383 4.868240 -3.293976      6.799803 
1 1 1 -13 8  31 o 76.60503 3.848710 289.5114       28.76638 262.8779       34.31324 352.5000       52.76898 72.81372 4.841910 83.97529 6.469635 -11.16157      8.080858 
1 1 1 -13 8  32 o 52.48892 4.094914 136.6174       20.87231 136.9123       28.01562 136.2496       31.29107 52.26125 5.561984 51.96631 6.278801 0.2949448      8.388027 
1 1 1 -13 8  33 o 88.86209 3.342245 389.1278       29.01926 384.8065       39.95230 393.9537       42.22042 88.08514 4.650228 89.07478 4.860831 -0.9896469     6.726983 
1 1 1 -13 8  34 o 86.93548 3.377305 372.7818       28.68445 343.0257       39.05220 407.6446       42.27056 83.04924 4.824781 90.56882 4.785165 -7.519585      6.795316 
1 1 1 -13 8  35 o 15.95446 6.949227 -2.784529      20.34673 3.106000       27.71831 -9.667142      29.96169 19.67312 8.329885 18.40112 8.204479 1.271997       11.69190 
1 1 1 -13 8  36 f 58.26668 5.166019 170.4729       29.15834 213.7000       56.91276 155.0882       33.95297 63.59283 9.428264 55.17637 6.405542 8.416462       11.39838 
1 1 1 -13 8  37 f 80.70089 4.395514 324.3354       34.59008 247.5000       63.17929 357.2250       41.33556 68.15808 9.747244 84.48711 5.021000 -16.32903      10.96445 
1 1 1 -13 8  38 o 18.28884 7.690915 3.969745       23.36846 -13.44666      27.08574 54.68000       46.21782 16.76358 7.608089 32.79063 11.56773 -16.02705      13.84541 
1 1 1 -13 8  39 o 14.30391 6.525586 -11.77226      20.25363 -0.8707430     26.92386 -25.98302      30.73990 18.57711 8.043356 16.51087 7.709146 2.066240       11.14121 
1 1 1 -13 8  40 o 39.57431 7.569843 83.13931       28.25476 89.43000       38.15398 75.50000       42.04536 40.20846 9.787735 36.73569 10.90462 3.472767       14.65301 
1 1 1 -13 8  41 o 43.93356 7.077858 101.4841       29.40324 68.44000       39.95964 140.5000       43.42055 34.97631 10.68657 50.86133 9.053613 -15.88502      14.00609 
1 1 1 -13 8  42 o 90.95110 3.680892 412.0049       32.70160 434.9129       46.53002 389.6458       45.96918 92.68909 5.148828 87.57999 5.388445 5.109100       7.452903 
1 1 1 -13 8  43 o 23.21711 8.004530 27.12293       22.05950 25.93896       30.53983 28.41455       31.89818 24.25637 9.255792 25.00544 9.478776 -0.7490692     13.24828 
1 1 1 -13 8  44 o 52.31409 5.016776 140.1027       25.37469 118.1235       35.74713 162.4248       36.02494 46.36566 8.175247 55.40524 6.784102 -9.039585      10.62350 
1 1 1 -13 8  45 o 28.12869 8.093481 44.04073       23.47915 57.23703       34.23561 32.32254       32.26133 31.48004 9.936599 25.60415 9.569704 5.875895       13.79548 
1 1 1 -13 8  46 o 24.34919 8.268612 31.48216       23.51888 57.18710       34.16632 8.332753       32.42350 31.33463 9.931086 21.04615 8.963934 10.28848       13.37829 
1 1 1 -13 8  47 o 56.01586 4.885126 161.0556       26.51739 154.1058       38.22486 167.5031       36.81724 53.13741 7.562411 55.91418 6.871346 -2.776768      10.21790 
1 1 1 -13 8  48 o 62.52805 4.525181 199.6465       27.50861 192.6581       39.42509 206.2767       38.40122 59.86140 6.851834 62.31779 6.385661 -2.456394      9.366125 
1 1 1 -13 8  49 o 17.09106 7.616574 -3.941901      25.78835 -6.596381      32.54158 0.5396000      42.28249 18.69047 8.424515 21.87379 9.750071 -3.183329      12.88551 
1 1 1 -13 8  50 o 29.88966 7.788442 51.03846       23.01260 41.85040       33.38374 59.35761       31.76597 27.16598 9.803686 31.41173 9.514186 -4.245756      13.66133 
1 1 1 -13 8  51 o 31.66562 8.966434 59.95856       29.04436 58.72342       35.29365 62.55000       51.12215 30.84570 10.12212 31.37010 11.97404 -0.5243988     15.67912 
1 1 1 -13 8  52 o 12.25796 5.949350 -32.76145      22.35656 21.84077       33.52926 -76.46940      29.99846 22.95643 9.391868 11.91955 5.975453 11.03688       11.13163 
1 1 1 -13 8  53 o 30.70343 8.550153 56.03606       26.64242 73.64000       48.09813 48.24389       32.00017 33.09981 11.78861 28.28434 9.644295 4.815468       15.23102 
1 1 1 -13 8  54 o 38.90361 6.741528 83.77393       24.74197 64.93044       36.27507 100.1659       33.83327 31.96286 10.24451 41.15088 8.673489 -9.188023      13.42309 
1 1 1 -13 8  55 o 22.43344 8.595567 25.08274       26.40976 11.91000       47.96934 30.81219       31.63607 23.66046 10.47466 24.28443 9.380894 -0.6239681     14.06129 
1 1 1 -13 8  56 o 43.59330 6.837497 105.5806       28.21699 134.8000       52.20594 93.52180       33.53783 44.31627 11.81861 39.38054 8.909520 4.935730       14.80064 
1 1 1 -13 8  57 o 30.16328 8.115726 53.94380       24.48361 63.61949       37.30409 46.62185       32.45104 31.31112 10.41193 27.62638 9.697350 3.684744       14.22838 
1 1 1 -13 8  58 o 18.13659 7.935329 3.686024       26.79003 18.18474       35.63913 -15.15000      40.62160 22.21321 9.427088 19.10924 8.902272 3.103977       12.96613 
1 1 1 -13 8  59 o 34.92455 8.304068 74.12194       27.96980 42.19436       36.08080 122.2000       44.27581 26.18797 10.04365 42.55038 10.65524 -16.36241      14.64272 
1 1 1 -13 9  1  f 238.2777 6.761672 2789.113       157.5449 2554.000       211.2099 3084.000       236.5399 227.5846 9.502147 250.0887 9.681109 -22.50412      13.56520 
1 1 1 -13 9  2  o 296.4312 8.206840 4322.579       237.8965 4967.000       369.8980 3868.000       310.6719 316.8923 11.94655 279.7344 11.36988 37.15790       16.49225 
1 1 1 -13 9  3  f 163.7085 5.248150 1315.365       83.98894 1283.000       119.4614 1347.000       118.1067 161.4304 7.581430 165.4500 7.310977 -4.019577      10.53226 
1 1 1 -13 9  4  o 214.8819 4.401136 2262.759       92.57015 2262.532       131.5704 2262.981       130.2672 214.6376 6.269196 214.6663 6.206134 -0.2870178E-01 8.821503 
1 1 1 -13 9  5  o 206.4138 4.276813 2087.841       86.41022 2012.175       120.1996 2168.768       124.3090 202.4199 6.073447 210.1583 6.049255 -7.738419      8.572062 
1 1 1 -13 9  6  o 192.2035 4.068509 1810.114       76.54250 1721.932       105.7695 1907.073       110.9081 187.2638 5.777238 197.0855 5.755299 -9.821732      8.154751 
1 1 1 -13 9  7  o 191.2462 4.055121 1792.188       75.91068 1729.381       105.9251 1858.502       108.8422 187.6615 5.773436 194.5532 5.721696 -6.891663      8.128368 
1 1 1 -13 9  8  o 37.20297 4.354807 68.75966       15.55842 60.66515       21.18867 78.23012       22.91892 34.59376 6.495971 39.46185 6.132539 -4.868095      8.933402 
1 1 1 -13 9  9  o 180.3418 3.890112 1593.636       68.66961 1549.570       96.00673 1639.794       98.25944 177.6372 5.528286 182.7435 5.499466 -5.106293      7.797825 
1 1 1 -13 9  10 o 127.3481 3.249823 794.9145       40.47653 780.9666       57.03214 809.0701       57.45513 126.1261 4.627487 128.3825 4.579448 -2.256332      6.510375 
1 1 1 -13 9  11 o 98.87662 3.079217 479.3290       29.76531 496.5624       42.44784 462.6577       41.74985 100.5553 4.322749 97.04841 4.406510 3.506874       6.172802 
1 1 1 -13 9  12 o 64.10961 3.304901 201.8792       20.66900 203.5326       28.11039 199.9332       30.49587 64.27420 4.496473 63.65705 4.932738 0.6171455      6.674592 
1 1 1 -13 9  13 o 163.7743 4.304833 1315.859       68.94958 1278.826       83.20951 1397.000       123.1678 161.3540 5.275593 168.3503 7.493187 -6.996338      9.164046 
1 1 1 -13 9  14 o 183.4225 4.638813 1651.095       83.21797 1660.000       147.5081 1646.938       100.7888 183.3785 8.238953 183.0727 5.631179 0.3057861      9.979505 
1 1 1 -13 9  15 o 211.4427 4.386758 2192.424       90.79095 2091.952       124.8966 2305.008       132.2110 206.2460 6.193716 216.4943 6.245526 -10.24828      8.795949 
1 1 1 -13 9  16 o 228.3668 5.387352 2560.360       120.4244 2482.310       144.9849 2734.000       216.2525 224.5876 6.602407 235.0470 9.418472 -10.45935      11.50215 
1 1 1 -13 9  17 o 97.03520 3.612718 462.1393       34.25394 445.5749       41.06915 500.0000       62.09017 95.20953 4.418911 100.6516 6.334376 -5.442085      7.723413 
1 1 1 -13 9  18 o 83.90057 3.620718 345.6847       29.66487 329.8372       34.91697 386.8000       56.24154 81.88603 4.372178 88.43990 6.543190 -6.553864      7.869515 
1 1 1 -13 9  19 o 103.4740 3.650854 525.5164       36.91906 617.4000       60.71429 471.6087       46.50477 111.9685 5.557101 97.90177 4.868164 14.06668       7.387854 
1 1 1 -13 9  20 o 118.3260 3.722562 687.1212       43.06134 705.8000       69.61053 675.5426       54.80613 119.6705 5.961441 117.2179 4.786782 2.452591       7.645394 
1 1 1 -13 9  21 o 41.10308 5.139192 84.25899       20.22582 91.00000       27.00453 75.64569       30.52522 42.48216 6.717251 38.40372 8.358320 4.078438       10.72301 
1 1 1 -13 9  22 o 84.05264 3.640321 347.0736       29.87901 339.9000       44.37704 353.0224       40.41142 82.97604 5.494810 84.64301 4.898534 -1.666969      7.361289 
1 1 1 -13 9  23 o 72.72919 3.342791 259.8743       23.73347 243.1989       31.14074 282.9830       36.65870 70.23250 4.554418 75.73242 4.972771 -5.499924      6.743232 
1 1 1 -13 9  24 o 153.2523 3.607310 1151.939       54.11241 1068.837       73.88367 1248.094       79.47485 147.3705 5.129731 159.2674 5.104554 -11.89699      7.236754 
1 1 1 -13 9  25 o 245.6015 4.963688 2965.660       119.3278 2863.817       165.0406 3077.217       172.7321 240.7031 7.012391 249.4935 7.080225 -8.790329      9.965100 
1 1 1 -13 9  26 o 300.1376 6.841023 4450.982       200.9776 4245.000       340.0333 4561.576       249.1563 290.0400 12.00320 302.9992 8.408999 -12.95914      14.65565 
1 1 1 -13 9  27 o 115.1259 3.251038 650.7594       36.59875 665.5075       51.72801 635.9766       51.78893 116.2456 4.554959 113.6154 4.666797 2.630180       6.521245 
1 1 1 -13 9  28 o 131.9117 3.390823 854.7655       43.74561 801.6540       60.16058 914.3558       63.72438 127.5011 4.829226 136.1893 4.787762 -8.688179      6.800301 
1 1 1 -13 9  29 o 114.1622 3.622964 641.0050       40.43361 546.8000       61.60269 712.3071       53.59371 104.9634 6.021183 120.1807 4.564181 -15.21735      7.555554 
1 1 1 -13 9  30 o 65.97402 3.443305 214.4784       22.15893 189.8027       29.55030 246.1795       33.49379 61.82266 4.923895 70.46460 4.886362 -8.641941      6.936950 
1 1 1 -13 9  31 o 32.01933 5.764391 52.34341       17.40211 42.41304       22.49686 67.13737       27.45879 28.62172 7.812919 35.89946 8.017053 -7.277748      11.19441 
1 1 1 -13 9  32 o 76.91006 3.354466 291.5381       25.19226 312.5435       35.04661 269.0806       36.23771 79.41415 4.527359 73.54805 5.064574 5.866096       6.793150 
1 1 1 -13 9  33 o 85.05430 3.383787 356.6995       28.11499 340.8595       38.38652 375.0296       41.29365 82.84082 4.753962 86.87421 4.875648 -4.033386      6.809706 
1 1 1 -13 9  34 o 20.78049 7.201344 19.87707       17.86377 27.02244       22.80886 8.540173       28.73018 23.84829 8.142051 21.00827 8.655000 2.840015       11.88284 
1 1 1 -13 9  35 o 21.28142 7.351744 21.10803       18.61164 25.00189       24.15126 15.41422       29.20458 23.47894 8.354410 22.41878 8.907184 1.060156       12.21205 
1 1 1 -13 9  36 o 21.60334 7.817462 20.42261       21.24499 -2.259000      29.53090 44.75526       30.58683 19.30233 8.390120 29.41796 9.404824 -10.11563      12.60336 
1 1 1 -13 9  37 o 80.81794 5.718610 329.4069       44.94598 303.6000       66.76138 350.8000       60.78460 75.84194 9.179696 82.49518 7.613485 -6.653236      11.92610 
1 1 1 -13 9  38 o 34.97205 8.329808 65.69942       28.10485 74.09000       56.59564 62.95303       32.37942 37.03932 12.81886 34.04125 9.405559 2.998070       15.89930 
1 1 1 -13 9  39 o 22.60199 8.090658 23.45780       22.68411 29.45000       32.95929 18.06486       31.26784 25.88612 9.673157 23.21882 9.219233 2.667297       13.36279 
1 1 1 -13 9  40 o 18.46071 7.664622 6.251775       22.77104 -15.42000      33.63298 24.59361       30.94137 18.60772 8.457959 24.40318 9.315314 -5.795458      12.58222 
1 1 1 -13 9  41 o 92.39018 4.101822 426.3176       37.00197 421.6177       45.93789 435.0000       62.43737 91.34874 5.158586 91.59162 7.017835 -0.2428818     8.709824 
1 1 1 -13 9  42 o 41.62821 6.541771 91.09801       25.77744 82.04800       31.90880 108.1000       43.73565 38.53313 8.670247 43.40541 10.42523 -4.872280      13.55944 
1 1 1 -13 9  43 o 26.81443 8.474478 39.03789       24.89455 60.31129       31.07371 0.9160000      41.59698 32.63014 9.286108 22.41386 9.845017 10.21628       13.53352 
1 1 1 -13 9  44 o 16.72770 7.279768 -0.4939618     22.28791 -12.34047      31.39979 11.53549       31.64132 17.94319 8.162325 21.53401 8.995214 -3.590820      12.14650 
1 1 1 -13 9  45 o 51.11769 5.155918 134.5943       25.44569 115.4939       36.06641 153.5246       35.90540 45.51441 8.405131 53.55106 7.018696 -8.036652      10.95027 
1 1 1 -13 9  46 o 22.06368 8.177297 23.10960       23.46120 32.13820       33.55646 14.47596       32.81428 25.56992 9.715231 22.11485 9.192962 3.455063       13.37521 
1 1 1 -13 9  47 o 25.34379 8.331140 35.23352       23.90489 13.94360       33.90157 56.28657       33.71245 22.18514 9.292155 30.96066 9.871035 -8.775522      13.55660 
1 1 1 -13 9  48 o 36.83031 7.991507 76.59689       27.98023 71.46317       35.66866 84.81000       45.11530 34.41938 9.997334 36.59473 11.38600 -2.175358      15.15215 
1 1 1 -13 9  49 o 40.43813 6.359042 88.03379       24.34033 114.9491       35.16290 63.27210       33.72683 45.01024 8.286426 32.40326 9.801089 12.60698       12.83457 
1 1 1 -13 9  50 o 55.65598 5.687276 163.4923       30.54785 153.5189       36.87740 185.3000       54.53094 52.68821 7.350368 54.89037 10.53236 -2.202160      12.84362 
1 1 1 -13 9  51 o 18.12142 7.602106 8.029515       22.74610 1.747217       33.48517 13.41206       30.99468 19.82933 8.766353 21.06749 8.858287 -1.238165      12.46267 
1 1 1 -13 9  52 o 61.60788 5.116625 198.0703       30.57683 193.6000       53.48866 200.2402       37.26622 56.29874 10.07637 60.96296 6.337540 -4.664215      11.90368 
1 1 1 -13 9  53 o 24.95100 8.201322 35.63455       23.16590 78.32056       34.88156 1.949765       30.98632 35.45544 9.748905 19.16654 8.454887 16.28890       12.90451 
1 1 1 -13 9  54 o 21.41630 8.039317 22.88095       22.81936 29.13753       34.15610 17.83703       30.66788 24.24328 9.632513 21.64857 8.932785 2.594707       13.13697 
1 1 1 -13 9  55 f 32.02117 7.625515 59.17949       23.55670 26.06866       34.71396 87.44075       32.07118 23.72432 9.612001 38.26046 8.753798 -14.53614      13.00075 
1 1 1 -13 9  56 o 38.00782 6.804008 80.62354       24.38350 76.43834       36.69634 83.93219       32.62801 34.44042 10.17829 37.08826 9.065356 -2.647839      13.63005 
1 1 1 -13 9  57 o 21.91461 8.617743 23.12046       27.08142 -43.28000      51.42219 48.60578       31.85738 19.20942 9.249244 28.00562 9.620692 -8.796200      13.34564 
1 1 1 -13 9  58 o 28.57755 8.929642 50.66951       27.71741 67.36000       51.58189 43.89382       32.86542 30.84093 11.96083 26.69934 9.714303 4.141592       15.40874 
1 1 1 -13 9  59 o 23.46062 8.766970 31.31837       27.07352 40.38231       35.11854 18.04000       42.50600 25.79507 9.904784 22.91372 10.01114 2.881351       14.08288 
1 1 1 -13 10 1  o 246.7213 6.971177 2991.853       168.1835 2791.000       228.5658 3229.000       248.3600 237.7818 9.841610 255.7679 9.939325 -17.98605      13.98740 
1 1 1 -13 10 2  o 163.3373 5.212608 1309.588       83.23200 1479.000       127.5639 1184.000       109.8320 173.3228 7.537121 155.0773 7.255714 18.24554       10.46201 
1 1 1 -13 10 3  o 134.1908 3.260936 881.9781       42.83228 853.3749       60.93218 909.9185       60.22205 131.8564 4.728714 136.1763 4.524297 -4.319916      6.544464 
1 1 1 -13 10 4  f 201.3852 5.972881 1991.845       117.6081 2216.000       180.3511 1826.000       155.1298 212.0174 8.708964 192.4989 8.252219 19.51852       11.99772 
1 1 1 -13 10 5  o 20.29179 6.603283 19.47619       15.03500 -7.270778      20.06525 53.72000       22.70378 15.23294 6.757531 32.42676 7.326307 -17.19382      9.966895 
1 1 1 -13 10 6  o 143.6673 3.407884 1011.075       47.92355 981.2812       67.74223 1040.926       67.80607 141.3821 4.902488 145.6326 4.763083 -4.250549      6.835302 
1 1 1 -13 10 7  o 184.9227 3.950714 1675.709       71.51088 1705.322       102.7901 1647.933       99.55101 186.3441 5.641957 183.1882 5.558333 3.155853       7.920022 
1 1 1 -13 10 8  o 150.3844 3.494584 1107.947       51.44043 1109.348       73.57656 1106.607       71.94633 150.3170 5.007626 150.1409 4.902144 0.1761169      7.007662 
1 1 1 -13 10 9  o 149.7154 3.484281 1098.135       51.06061 1058.707       71.48907 1139.196       72.95444 146.8406 4.981000 152.3341 4.899067 -5.493561      6.986503 
1 1 1 -13 10 10 o 37.71450 4.325500 70.63873       15.67938 53.47623       20.77979 93.32829       23.89263 32.39154 6.772229 43.22346 5.792987 -10.83192      8.911890 
1 1 1 -13 10 11 o 120.0116 3.204312 706.0486       37.60758 665.9379       52.36494 748.7747       54.04515 116.4464 4.603256 123.4981 4.478268 -7.051704      6.422215 
1 1 1 -13 10 12 f 98.18688 3.672132 473.0876       35.22995 468.0608       42.34000 484.4000       63.51550 97.60247 4.443493 99.06712 6.587462 -1.464653      7.946023 
1 1 1 -13 10 13 o 119.3335 3.829215 698.6852       44.66998 754.2000       85.10289 677.5735       52.48083 123.6320 7.061833 117.4519 4.573675 6.180084       8.413560 
1 1 1 -13 10 14 o 135.2578 3.364710 896.4241       44.54674 839.8725       61.20011 960.1488       64.96560 130.7556 4.789831 139.8204 4.753775 -9.064835      6.748397 
1 1 1 -13 10 15 o 163.9643 5.110939 1320.768       81.92673 1330.000       114.2606 1311.000       117.5324 164.2442 7.124171 163.0201 7.384814 1.224152       10.26106 
1 1 1 -13 10 16 o 108.1740 3.611216 574.1756       38.18328 551.5040       46.00107 624.4000       68.46735 105.9427 4.445874 112.5331 6.240236 -6.590393      7.662006 
1 1 1 -13 10 17 o 75.76080 3.250479 281.7749       24.04842 268.1797       31.50203 300.7640       37.23044 73.81186 4.379890 78.13042 4.892800 -4.318565      6.566805 
1 1 1 -13 10 18 o 279.4238 5.511114 3835.500       150.7332 3711.301       208.6165 3971.165       218.0331 274.2488 7.779233 283.6711 7.859951 -9.422272      11.05872 
1 1 1 -13 10 19 o 50.87663 3.971579 127.7048       19.62164 112.7485       24.88433 152.2899       31.90423 47.60163 5.438158 55.33785 5.985199 -7.736214      8.086789 
1 1 1 -13 10 20 o 65.34369 3.738806 210.0442       23.81366 180.2000       32.28317 245.6659       35.26989 60.30518 5.530622 70.53827 5.143611 -10.23309      7.552782 
1 1 1 -13 10 21 o 18.23572 6.945476 11.37415       17.17628 7.306000       21.36921 18.80030       28.87168 18.66817 7.549425 23.51828 8.993246 -4.850113      11.74190 
1 1 1 -13 10 22 o 75.86945 3.298424 282.7207       24.43660 294.8824       32.47686 266.8503       37.09985 77.39259 4.304101 73.50666 5.189673 3.885925       6.742254 
1 1 1 -13 10 23 o 178.3321 4.618670 1562.899       80.55399 1497.000       140.6230 1595.084       98.27615 173.7305 8.293350 179.9894 5.584970 -6.258865      9.998577 
1 1 1 -13 10 24 o 114.1323 3.971910 640.1036       44.30492 517.1000       79.78646 694.9410       53.27323 101.8851 8.066182 118.8481 4.588037 -16.96302      9.279729 
1 1 1 -13 10 25 o 142.5559 3.476062 996.9759       48.50414 894.8159       65.14594 1124.053       72.65762 134.8007 4.945679 151.1093 4.918842 -16.30859      6.975296 
1 1 1 -13 10 26 o 117.6059 3.259776 679.0195       37.48900 654.5981       51.89427 705.6758       54.21687 115.2904 4.607823 119.7063 4.635890 -4.415871      6.536323 
1 1 1 -13 10 27 o 119.8560 3.243752 705.4320       38.02019 661.6848       52.04027 755.5155       55.68157 115.8790 4.597178 123.8339 4.601736 -7.954933      6.504615 
1 1 1 -13 10 28 o 106.3644 3.860255 556.7821       40.12337 578.4000       76.62370 548.6150       47.09656 107.6514 7.315176 105.4622 4.573195 2.189201       8.627046 
1 1 1 -13 10 29 o 111.9469 3.198890 615.8964       35.01645 575.9991       47.84735 661.9078       51.38293 108.0283 4.535039 115.8161 4.541363 -7.787788      6.417987 
1 1 1 -13 10 30 o 146.0928 3.542356 1049.524       50.65556 1017.708       70.32878 1083.823       73.02271 143.4356 5.016943 148.0173 5.047487 -4.581650      7.116659 
1 1 1 -13 10 31 o 14.18206 6.104531 -1.083148      15.33093 -5.357959      19.28277 6.262113       25.27636 15.10598 6.666435 19.60999 8.102389 -4.504009      10.49238 
1 1 1 -13 10 32 o 40.67489 4.670854 82.87904       18.25933 92.89637       24.10724 69.39880       27.96535 42.81823 5.909303 36.40449 8.060909 6.413746       9.994905 
1 1 1 -13 10 33 o 22.20219 7.065268 24.44634       17.27781 41.09398       22.17124 -1.297878      27.57107 28.07590 7.792783 18.92428 8.166412 9.151619       11.28795 
1 1 1 -13 10 34 o 58.86491 3.812024 171.8456       21.84623 201.8072       29.37831 134.7839       32.67435 63.58944 4.754344 51.37121 6.654206 12.21823       8.178157 
1 1 1 -13 10 35 o 29.93918 6.535705 46.80848       18.61444 54.48756       23.72671 34.51619       30.01920 32.11035 7.657046 26.82934 9.333138 5.281010       12.07219 
1 1 1 -13 10 36 o 14.29298 6.492948 -10.78438      19.78489 -6.496596      22.33356 -26.42000      42.64804 16.04487 7.122853 20.26197 9.327251 -4.217100      11.73596 
1 1 1 -13 10 37 o 90.24915 3.864304 404.2000       34.05761 401.0000       51.65049 406.6615       45.30115 89.05179 5.959817 90.04070 5.161640 -0.9889069     7.884285 
1 1 1 -13 10 38 o 18.57786 8.825708 -46.85000      43.54418 0.000000       0.000000 -46.85000      43.54418 ?        ?        18.57786 8.825708 ?              ?        
1 1 1 -13 10 39 o 32.49728 9.645578 57.58306       32.89801 0.000000       0.000000 57.58306       32.89801 ?        ?        32.49728 9.645578 ?              ?        
1 1 1 -13 10 40 o 16.77934 7.608209 -12.39255      27.01049 25.27000       55.19868 -24.24989      30.97187 28.81326 11.94553 16.70010 7.777722 12.11316       14.25442 
1 1 1 -13 10 41 o 30.43925 7.383584 49.98534       21.77112 51.57568       29.93441 48.19948       31.72125 30.63924 9.226251 29.80455 9.582586 0.8346882      13.30224 
1 1 1 -13 10 42 o 19.82730 7.993865 12.04436       23.87873 1.060851       29.79675 31.76000       39.92120 19.48849 8.449703 26.90981 10.49808 -7.421328      13.47617 
1 1 1 -13 10 43 o 64.49451 4.869968 211.8008       30.51646 207.1776       37.91844 220.3000       51.41289 63.01957 6.228442 63.39928 8.498654 -0.3797112     10.53663 
1 1 1 -13 10 44 o 18.82539 7.966469 5.813077       25.32882 11.26809       32.08302 -3.212000      41.26699 21.54845 9.033426 21.64869 9.642113 -0.1002445     13.21261 
1 1 1 -13 10 45 o 24.86546 8.235092 33.31569       23.34223 16.58648       32.90144 50.26939       33.12146 22.55146 9.273382 29.67408 9.808924 -7.122627      13.49854 
1 1 1 -13 10 46 o 30.38169 8.021707 52.02961       24.20295 -15.10082      34.29084 118.6713       34.16578 18.31326 8.405746 46.39618 7.799645 -28.08293      11.46695 
1 1 1 -13 10 47 o 33.67322 8.484381 65.03902       27.94841 81.98660       35.79712 38.58000       44.72818 37.11787 9.734446 27.82821 11.03384 9.289665       14.71411 
1 1 1 -13 10 48 o 52.31045 5.182755 142.1062       26.18872 108.7012       36.71277 176.7158       37.36882 43.30610 8.956688 57.26057 6.799884 -13.95448      11.24547 
1 1 1 -13 10 49 o 61.80122 5.381631 199.2492       32.23063 177.3771       38.34523 251.9000       59.49331 57.09474 7.008163 65.55320 9.552601 -8.458458      11.84764 
1 1 1 -13 10 50 o 15.77430 7.047614 -4.152804      22.22647 18.78429       32.37969 -24.59060      30.56473 22.30044 9.187908 15.91428 7.510859 6.386152       11.86721 
1 1 1 -13 10 51 o 57.32531 5.363820 172.7452       29.74776 263.4000       54.13295 133.5249       35.60589 67.83652 8.326986 48.59916 7.744619 19.23735       11.37180 
1 1 1 -13 10 52 o 57.93083 4.756158 173.8255       26.73218 196.1911       39.56922 155.0470       36.25752 59.85069 6.879272 52.89680 7.188492 6.953884       9.949815 
1 1 1 -13 10 53 o 36.32141 7.001322 73.81844       23.98897 74.90699       35.72277 72.92437       32.37484 34.47017 10.00282 34.47786 9.356400 -0.7694244E-02 13.69666 
1 1 1 -13 10 54 o 26.46677 8.158987 40.89370       23.22775 47.63126       34.89769 35.53473       31.12336 28.03915 10.03531 25.24360 9.406466 2.795547       13.75460 
1 1 1 -13 10 55 o 25.43428 8.151300 37.54546       22.96607 40.74942       34.52811 35.00330       30.75602 26.49362 9.900590 25.04522 9.347186 1.448399       13.61586 
1 1 1 -13 10 56 o 26.20677 8.276044 40.45004       23.74655 88.03490       36.52417 5.607189       31.25379 37.29830 9.857210 19.64244 8.583094 17.65586       13.07035 
1 1 1 -13 10 57 o 25.45269 8.336924 38.28902       23.94702 6.433287       36.22910 63.00595       31.91251 20.68500 9.132719 31.52403 9.533541 -10.83903      13.20208 
1 1 1 -13 10 58 o 18.42012 7.953887 6.776692       26.18722 -3.606000      48.01472 11.17281       31.24310 21.47976 9.891060 20.23615 8.712547 1.243603       13.18111 
1 1 1 -13 10 59 o 17.48885 8.120878 -12.49783      33.37605 -30.77000      45.97550 7.861000       48.52973 18.64487 8.916037 22.46547 10.19108 -3.820593      13.54082 
1 1 1 -13 11 1  o 464.1420 8.769011 10607.76       398.3894 11326.99       591.3678 10010.12       539.0719 477.8903 12.65335 449.4129 12.26595 28.47742       17.62274 
1 1 1 -13 11 2  o 131.3210 3.245095 844.7141       41.71266 833.2050       60.44776 855.1766       57.63400 130.2750 4.748322 132.0071 4.466850 -1.732101      6.519150 
1 1 1 -13 11 3  o 288.2474 5.626335 4076.726       158.7439 4126.227       227.1591 4029.480       221.9280 289.5028 8.023985 286.1054 7.932301 3.397430       11.28298 
1 1 1 -13 11 4  o 109.3742 3.076824 586.3859       32.90728 533.3320       46.52858 639.4825       46.54728 104.2019 4.572955 114.1510 4.172918 -9.949112      6.190732 
1 1 1 -13 11 5  o 231.3806 4.682877 2624.936       106.0586 2528.032       147.5401 2728.553       152.5650 226.7634 6.654278 235.5975 6.622302 -8.834106      9.387987 
1 1 1 -13 11 6  o 94.65175 3.037104 439.2550       28.10166 425.1849       41.00670 451.7137       38.58708 93.01849 4.517310 95.91463 4.119690 -2.896149      6.113749 
1 1 1 -13 11 7  o 170.2390 4.290092 1421.527       71.43082 1584.000       130.1496 1351.490       85.45073 179.3265 7.430778 165.8950 5.268989 13.43146       9.109264 
1 1 1 -13 11 8  f 277.4802 5.455116 3778.147       148.1638 3807.522       211.6563 3749.920       207.4768 278.0728 7.783841 275.9804 7.687912 2.092438       10.94039 
1 1 1 -13 11 9  o 271.8110 5.357453 3625.255       142.5383 3616.001       201.8825 3634.454       201.2782 270.9996 7.618244 271.6998 7.575746 -0.7001953     10.74382 
1 1 1 -13 11 10 o 68.07494 3.756269 227.7924       24.93236 220.4586       29.18524 247.6000       47.96407 66.90375 4.482493 70.61967 7.032159 -3.715927      8.339305 
1 1 1 -13 11 11 o 63.23179 4.235075 196.8984       26.06102 199.7000       53.59564 196.0309       29.82430 63.02020 8.938997 63.02840 4.872032 -0.8193970E-02 10.18049 
1 1 1 -13 11 12 o 164.3513 3.695188 1323.825       59.44508 1285.090       83.21458 1364.190       84.94830 161.7278 5.263654 166.6418 5.214339 -4.914017      7.409142 
1 1 1 -13 11 13 o 226.5890 4.628160 2518.498       102.6487 2434.859       142.7510 2608.049       147.7103 222.4441 6.563379 230.2262 6.561347 -7.782150      9.280583 
1 1 1 -13 11 14 o 170.2776 4.351582 1422.936       72.46944 1382.362       87.90768 1509.000       128.0300 167.7108 5.361893 174.8901 7.496333 -7.179337      9.216557 
1 1 1 -13 11 15 o 158.6663 4.203370 1235.461       65.22375 1205.221       79.44243 1298.000       114.2471 156.5988 5.189892 162.2126 7.213434 -5.613815      8.886428 
1 1 1 -13 11 16 f 21.81295 6.369283 23.81819       14.44366 28.63346       17.31576 12.80527       26.18682 23.90071 6.972427 21.47889 8.465699 2.421820       10.96735 
1 1 1 -13 11 17 o 205.5501 4.318853 2072.587       86.89450 1961.452       119.1092 2199.033       127.0495 199.6424 6.102340 211.3900 6.146727 -11.74756      8.661455 
1 1 1 -13 11 18 o 71.08707 3.605608 248.3654       25.00660 256.5000       35.82364 240.6347       34.92290 72.09477 5.109552 69.81375 5.146677 2.281021       7.252297 
1 1 1 -13 11 19 o 103.2435 3.558001 523.1836       35.90255 503.5000       54.60453 538.1730       47.65067 101.0702 5.540691 104.6068 4.665490 -3.536598      7.243346 
1 1 1 -13 11 20 o 176.6047 3.924985 1529.804       67.84947 1392.476       91.20327 1700.001       101.5331 168.2174 5.546609 185.8775 5.586858 -17.66019      7.872602 
1 1 1 -13 11 21 o 103.3364 3.667413 524.3527       37.03652 561.0273       45.20818 449.5000       64.58597 106.8253 4.332501 95.23003 6.977227 11.59526       8.212933 
1 1 1 -13 11 22 o 107.1617 3.236884 563.4883       33.91367 538.7653       46.22674 592.3043       49.90671 104.6509 4.523462 109.7203 4.657521 -5.069405      6.492628 
1 1 1 -13 11 23 o 84.13075 3.174138 347.5164       26.09199 303.6830       34.82736 403.5931       39.39213 78.49746 4.552249 90.54195 4.458524 -12.04449      6.371923 
1 1 1 -13 11 24 o 168.9691 4.466368 1403.680       73.80521 1292.000       126.1903 1461.746       90.99113 161.2826 8.018558 172.2509 5.403422 -10.96831      9.669242 
1 1 1 -13 11 25 o 270.5758 6.256155 3613.153       165.6924 3473.000       282.7738 3686.433       204.4716 262.7740 11.01832 272.6321 7.669757 -9.858063      13.42492 
1 1 1 -13 11 26 o 150.1642 3.563867 1106.973       52.38345 1102.956       73.74451 1111.065       74.42293 149.5792 5.043987 150.1227 5.071988 -0.5435028     7.153102 
1 1 1 -13 11 27 o 127.6844 3.308817 800.8533       41.31909 791.1459       57.87611 810.9443       59.00838 126.6754 4.675700 128.2461 4.708702 -1.570702      6.635815 
1 1 1 -13 11 28 o 126.2564 3.319696 783.3804       40.99030 770.7731       57.55283 796.3591       58.39441 124.9747 4.713217 127.0368 4.704204 -2.062172      6.659125 
1 1 1 -13 11 29 o 97.62884 3.161413 468.6484       30.17120 455.9255       41.82864 482.4471       43.56111 96.07226 4.460221 98.82161 4.515334 -2.749352      6.346796 
1 1 1 -13 11 30 o 58.37798 3.548323 168.2707       20.18007 153.2449       26.83901 187.8142       30.60901 55.45292 4.998244 61.40484 5.139720 -5.951923      7.169322 
1 1 1 -13 11 31 o 46.28241 7.603228 110.2494       33.24950 56.56000       52.45923 146.3000       42.98667 34.59241 12.31239 53.16975 8.549454 -18.57734      14.98960 
1 1 1 -13 11 32 o 15.68925 6.374174 5.196943       15.31491 13.37220       19.05483 -9.720426      25.73951 19.21241 7.315918 16.95221 7.578292 2.260199       10.53343 
1 1 1 -13 11 33 o 41.97149 4.677537 88.37634       18.89047 66.25974       24.00481 124.3517       30.61552 35.67129 7.124527 49.39951 6.488287 -13.72822      9.636222 
1 1 1 -13 11 34 o 68.92934 3.530807 235.0713       23.74296 239.0813       31.61104 229.8809       35.96375 69.23293 4.692384 67.65105 5.477874 1.581886       7.212875 
1 1 1 -13 11 35 o 20.28203 7.442136 17.30750       19.34993 19.65140       21.83698 8.740000       41.74933 21.52404 7.904610 24.34069 10.26037 -2.816652      12.95214 
1 1 1 -13 11 36 o 84.23426 3.453276 351.1114       28.41217 407.7655       39.81450 292.3229       40.55756 90.44453 4.511553 76.20280 5.473911 14.24173       7.093505 
1 1 1 -13 11 37 o 33.62629 6.752568 59.33521       21.45292 83.23000       29.13951 31.05670       31.69998 39.62367 7.790947 26.09369 9.533386 13.52998       12.31196 
1 1 1 -13 11 38 o 15.52534 6.848369 -4.510745      20.32759 -2.186000      27.30512 -7.401026      30.44573 18.46544 8.046497 18.70175 8.308596 -0.2363071     11.56628 
1 1 1 -13 11 39 o 106.6332 4.102101 566.5349       42.73603 564.2968       51.63878 571.4000       76.13422 105.9725 4.992282 104.9852 7.457303 0.9873047      8.974088 
1 1 1 -13 11 40 o 90.96841 4.422535 414.5621       39.26130 428.1000       76.72713 409.7600       45.69710 89.42582 8.882869 90.04012 5.207185 -0.6143036     10.29661 
1 1 1 -13 11 41 o 24.38248 8.864049 28.31842       27.35624 73.58000       55.09936 13.51142       31.51485 35.80745 12.63052 22.11547 9.083026 13.69198       15.55736 
1 1 1 -13 11 42 o 20.80671 7.842282 18.58439       21.76274 32.01203       29.60142 2.789259       32.10513 25.42425 9.223828 20.34576 8.796187 5.078491       12.74566 
1 1 1 -13 11 43 o 60.45002 4.328346 184.8207       25.44139 197.9989       35.64823 171.1410       36.32031 61.69955 5.977479 56.93827 6.641435 4.761280       8.935263 
1 1 1 -13 11 44 o 71.39166 4.578319 258.8828       31.82472 255.7575       39.45818 264.7000       53.83297 70.19927 5.794009 69.65573 8.043163 0.5435410      9.912770 
1 1 1 -13 11 45 o 31.32666 8.399407 55.71639       26.28104 71.44167       33.44197 30.32000       42.49901 34.93704 9.521176 26.43149 10.66167 8.505550       14.29420 
1 1 1 -13 11 46 o 52.40696 5.811064 143.9052       29.30884 155.3949       37.47189 125.8000       47.03838 53.47486 7.353462 45.54252 10.72945 7.932339       13.00747 
1 1 1 -13 11 47 f 56.30183 4.787333 162.9347       26.13293 133.4137       36.67505 193.3831       37.24665 48.94876 7.925355 60.27605 6.411257 -11.32730      10.19389 
1 1 1 -13 11 48 o 29.45054 8.864393 50.60981       27.63681 28.47120       32.98163 102.8000       50.63972 24.43068 9.538879 39.46992 12.02445 -15.03924      15.34854 
1 1 1 -13 11 49 o 44.88095 5.624017 106.4853       24.16573 158.6181       35.28930 60.45134       33.16093 54.01360 6.826962 31.55192 9.752532 22.46168       11.90459 
1 1 1 -13 11 50 o 13.60511 6.494433 -26.12239      24.16325 -67.97000      43.82940 -7.849807      28.96211 16.26608 7.987209 17.35109 7.871750 -1.085012      11.21428 
1 1 1 -13 11 51 o 55.67459 4.894661 161.2174       26.40261 160.5610       38.95674 161.7750       35.90726 53.39529 7.673896 54.24358 6.920183 -0.8482895     10.33332 
1 1 1 -13 11 52 o 63.50993 4.394557 207.3408       27.15042 236.7343       40.24612 182.7917       36.78049 66.28773 6.277555 57.91523 6.606105 8.372509       9.113086 
1 1 1 -13 11 53 o 47.06653 5.543578 117.7487       25.05000 163.8138       38.16417 82.88034       33.20366 54.04847 7.408596 36.86378 9.225014 17.18469       11.83166 
1 1 1 -13 11 54 o 46.27258 5.535668 113.9175       24.57574 133.7576       36.81846 97.97511       33.00422 48.16258 8.096964 40.71945 8.553105 7.443130       11.77779 
1 1 1 -13 11 55 o 18.20107 7.591594 9.513808       22.48727 12.72630       33.67454 6.928278       30.21035 21.23283 9.091752 19.61261 8.505811 1.620216       12.45025 
1 1 1 -13 11 56 o 39.62110 6.625719 87.05659       24.78938 119.3680       38.12510 63.39081       32.62820 44.41994 9.075474 31.69966 9.650916 12.72027       13.24781 
1 1 1 -13 11 57 o 22.02979 8.172856 25.93036       23.44639 28.67221       35.91533 23.89398       30.95193 23.96775 9.752463 22.50645 9.091480 1.461302       13.33288 
1 1 1 -13 11 58 o 30.25233 9.152583 58.25668       29.40893 76.18079       36.33286 24.20000       50.08203 33.71150 10.16750 24.55535 10.79353 9.156157       14.82830 
1 1 1 -13 12 1  o 435.2281 8.240708 9324.881       351.0652 9797.430       515.2102 8915.302       479.6565 444.5898 11.84967 424.2177 11.56220 20.37213       16.55594 
1 1 1 -13 12 2  o 171.4974 5.406165 1444.489       90.63798 1554.000       136.0084 1357.000       121.5669 177.5496 7.845369 165.9441 7.503645 11.60555       10.85608 
1 1 1 -13 12 3  o 104.0149 3.053092 530.3866       31.05070 477.9861       44.65838 579.4261       43.20244 98.62489 4.639050 108.6539 4.069347 -10.02903      6.170929 
1 1 1 -13 12 4  o 131.3522 3.278773 845.2038       42.15556 773.2225       59.21849 919.1555       60.02359 125.4728 4.830740 136.8486 4.487072 -11.37578      6.593169 
1 1 1 -13 12 5  o 129.1600 3.260189 817.7480       41.18410 776.5421       58.48126 858.2897       58.00787 125.7468 4.759905 132.2332 4.488180 -6.486336      6.542205 
1 1 1 -13 12 6  o 125.1461 3.229601 767.7324       39.52841 680.7522       54.62418 863.3529       57.27308 117.7231 4.750179 132.6272 4.417925 -14.90411      6.487084 
1 1 1 -13 12 7  o 60.77265 3.305272 181.4720       19.58772 164.0717       28.85031 196.3521       26.67932 57.59879 5.172197 63.13669 4.343512 -5.537907      6.754089 
1 1 1 -13 12 8  o 138.2662 3.364846 936.6510       45.53942 892.7897       64.01993 981.5765       64.79194 134.8242 4.859057 141.3943 4.687958 -6.570114      6.751842 
1 1 1 -13 12 9  o 144.2477 4.032363 1020.773       56.87853 999.1496       68.90931 1067.000       100.7535 142.6246 4.943499 147.1311 7.016211 -4.506531      8.582855 
1 1 1 -13 12 10 o 19.25384 7.315552 12.77394       19.02689 14.30000       46.85057 12.47253       20.82126 27.31617 11.12977 19.74874 7.615270 7.567432       13.48570 
1 1 1 -13 12 11 o 184.6562 3.979614 1671.598       71.93018 1668.762       102.3855 1674.361       101.0764 184.2526 5.683794 184.5732 5.601157 -0.3206329     7.979879 
1 1 1 -13 12 12 o 51.14056 3.627666 128.8251       18.04142 113.0634       24.25252 148.3550       26.99628 47.70285 5.282471 54.74470 5.096515 -7.041843      7.340229 
1 1 1 -13 12 13 o 80.17968 3.513152 315.6760       27.50502 309.0297       34.27386 327.7000       46.09967 79.25082 4.435983 81.46612 5.819481 -2.215302      7.317398 
1 1 1 -13 12 14 f 164.9200 4.272137 1334.875       68.90630 1288.404       83.51083 1434.000       121.9667 161.9020 5.276731 170.4835 7.326008 -8.581482      9.028526 
1 1 1 -13 12 15 o 105.8846 3.163948 549.8626       32.75526 551.7449       45.99966 547.9265       46.65312 105.9579 4.445092 105.5821 4.524727 0.3758163      6.342870 
1 1 1 -13 12 16 o 90.15507 3.168553 398.7826       27.91783 387.5208       38.31769 411.5251       40.75884 88.76535 4.424055 91.46557 4.567031 -2.700218      6.358462 
1 1 1 -13 12 17 o 21.93134 6.626018 23.82574       15.42084 19.91000       18.87214 31.69331       26.75069 21.26423 7.399943 26.18692 8.818765 -4.922691      11.51216 
1 1 1 -13 12 18 o 40.16708 4.710550 80.27708       18.16882 83.70000       23.15192 74.78948       29.31435 40.83192 5.969052 38.21320 8.089614 2.618717       10.05343 
1 1 1 -13 12 19 o 81.41494 3.246960 325.4091       25.82351 296.0257       34.45201 363.0844       39.01141 77.52383 4.560324 85.87309 4.658624 -8.349266      6.519151 
1 1 1 -13 12 20 o 47.13451 4.027655 109.7924       18.40432 129.1234       23.19239 76.91660       30.24515 51.06504 4.692395 38.72281 8.233333 12.34223       9.476621 
1 1 1 -13 12 21 o 107.2982 3.278957 564.9641       34.39731 536.6471       47.08175 597.3815       50.37538 104.4330 4.617251 110.1871 4.681362 -5.754044      6.575269 
1 1 1 -13 12 22 o 158.0083 3.667805 1224.796       56.72734 1107.762       76.30901 1369.366       84.81219 150.0011 5.205155 166.7946 5.201170 -16.79352      7.358384 
1 1 1 -13 12 23 o 165.0178 4.405136 1338.635       71.08990 1324.000       125.9349 1345.480       86.12415 163.3149 7.901412 165.2703 5.330801 -1.955338      9.531514 
1 1 1 -13 12 24 o 146.0021 3.498182 1045.966       49.99281 996.9398       68.70670 1101.127       72.87862 142.2722 4.941202 149.5216 4.986525 -7.249374      7.020036 
1 1 1 -13 12 25 o 156.0734 3.629155 1195.867       55.44222 1204.923       78.46111 1186.836       78.35329 156.3381 5.134201 155.1519 5.166543 1.186172       7.283762 
1 1 1 -13 12 26 o 183.3761 4.703113 1656.614       84.34820 1713.000       153.6932 1632.312       100.9013 185.1069 8.505264 181.7523 5.678633 3.354675       10.22675 
1 1 1 -13 12 27 f 146.0773 4.185513 1050.728       59.78462 914.7000       103.0059 1119.828       73.41557 135.2520 7.813846 150.6177 4.986606 -15.36569      9.269435 
1 1 1 -13 12 28 o 166.9994 3.778495 1371.706       61.76464 1288.687       84.48888 1467.000       90.51941 161.3782 5.356122 172.1851 5.377402 -10.80692      7.589763 
1 1 1 -13 12 29 o 88.78085 3.630873 388.4272       31.48613 342.1642       36.83224 514.0000       60.68195 83.15092 4.542633 101.5437 6.133809 -18.39275      7.632767 
1 1 1 -13 12 30 o 104.9491 3.215377 542.0747       32.99168 515.4317       45.52491 571.5438       47.87857 102.0440 4.569394 107.4671 4.561928 -5.423172      6.456821 
1 1 1 -13 12 31 o 32.46494 5.216177 53.55429       16.01443 32.24499       19.80021 93.86092       27.23161 25.12566 7.489315 42.82560 6.717010 -17.69994      10.06022 
1 1 1 -13 12 32 o 50.56744 3.922673 126.9858       19.26424 120.3846       25.06572 136.5113       30.11022 48.92748 5.319368 51.94863 6.033642 -3.021149      8.043663 
1 1 1 -13 12 33 o 26.37653 6.567410 36.34483       16.89019 55.06309       20.98770 1.939246       28.45422 32.48524 6.818108 19.69541 8.393271 12.78983       10.81358 
1 1 1 -13 12 34 o 47.97753 4.687690 115.4293       21.73367 116.7505       25.12327 111.5000       43.32594 48.05829 5.436069 45.37636 10.02252 2.681931       11.40183 
1 1 1 -13 12 35 o 67.05103 3.631517 222.8940       23.74520 253.0267       32.32848 187.5936       34.99090 71.16383 4.666840 60.82155 5.953656 10.34227       7.564748 
1 1 1 -13 12 36 o 42.85584 5.069434 92.98583       20.85426 56.56000       27.61430 141.3351       31.81443 32.43544 8.570487 52.53985 6.312553 -20.10441      10.64432 
1 1 1 -13 12 37 o 46.93076 4.920283 111.2058       22.26674 126.7000       30.67125 93.93948       32.37786 49.60499 6.470951 41.97986 8.173635 7.625126       10.42504 
1 1 1 -13 12 38 o 52.38770 4.405567 137.7279       22.38198 166.8158       30.24536 102.5161       33.27721 57.33185 5.455267 43.84769 8.049994 13.48416       9.724317 
1 1 1 -13 12 39 o 63.31012 4.301394 200.7625       26.49732 212.1000       38.74136 190.7972       36.32133 64.29346 6.234197 60.98108 6.169787 3.312386       8.771060 
1 1 1 -13 12 40 o 19.33322 7.743361 11.47152       22.24888 8.064741       25.42470 22.61000       45.97238 19.53677 8.104067 26.62350 10.95625 -7.086725      13.62774 
1 1 1 -13 12 41 o 23.13804 7.832449 27.20809       21.10184 18.48135       28.22836 38.26165       31.76953 22.25558 8.784031 27.20860 9.591346 -4.953020      13.00589 
1 1 1 -13 12 42 o 71.05313 4.969688 257.2141       34.34565 309.2000       68.06145 239.4532       39.78241 74.22942 9.591376 67.90785 6.048234 6.321564       11.33912 
1 1 1 -13 12 43 o 71.89160 4.840420 263.3239       33.86325 199.7000       63.57411 288.5260       40.01185 57.40237 11.71181 74.84542 5.499975 -17.44305      12.93894 
1 1 1 -13 12 44 o 58.64410 4.482935 174.9284       25.53810 193.6151       35.85619 155.6893       36.38222 60.76168 6.111691 53.83079 7.075990 6.930897       9.349996 
1 1 1 -13 12 45 o 55.35741 5.425900 159.0070       29.02321 167.5456       36.39833 144.1000       48.09303 55.97851 6.780912 49.26650 10.30475 6.712009       12.33567 
1 1 1 -13 12 46 o 36.71254 7.766776 75.34539       27.03761 101.6884       34.33709 32.36000       43.86226 42.26361 8.593323 26.74155 10.81537 15.52206       13.81367 
1 1 1 -13 12 47 o 30.74837 9.719279 56.13935       32.74397 56.13935       32.74397 0.000000       0.000000 30.74837 9.719279 ?        ?        ?              ?        
1 1 1 -13 12 48 o 22.80162 8.434430 26.09283       24.93818 11.36013       31.09954 52.63000       41.73882 20.94050 8.842810 29.81808 10.93201 -8.877577      14.06073 
1 1 1 -13 12 49 o 42.55248 6.618346 98.76144       26.67067 54.60000       45.53136 121.8291       32.90722 29.97525 11.33328 46.74546 7.441127 -16.77022      13.55779 
1 1 1 -13 12 50 o 37.67356 6.737564 78.36700       23.93328 89.41344       35.66393 69.31638       32.28177 38.22544 9.557788 33.65556 9.426125 4.569878       13.42398 
1 1 1 -13 12 51 o 29.00457 7.981015 48.95528       23.36791 48.93746       34.54692 48.97032       31.72728 28.46999 10.00465 28.49946 9.604121 -0.2946281E-01 13.86839 
1 1 1 -13 12 52 o 17.90581 7.562680 7.343855       22.75375 54.71458       34.67774 -28.46942      30.15212 29.65468 10.04066 15.31713 7.295783 14.33756       12.41142 
1 1 1 -13 12 53 o 23.85789 8.198853 31.99203       23.13745 24.20406       34.67622 38.24183       31.06363 23.38122 9.556700 25.81675 9.436426 -2.435522      13.43044 
1 1 1 -13 12 54 o 41.63537 5.986322 93.72990       23.69609 104.2608       35.02755 84.84366       32.17637 41.76922 8.843227 37.51479 8.897923 4.254429       12.54495 
1 1 1 -13 12 55 o 35.93068 7.002479 72.83449       23.74226 84.09724       35.53278 63.75035       31.91162 36.48061 9.760021 31.88171 9.508974 4.598902       13.62639 
1 1 1 -13 12 56 o 19.27511 7.844833 14.10362       23.24541 42.84892       35.86527 -6.718313      30.52468 26.72640 10.06882 17.68410 8.045758 9.042301       12.88858 
1 1 1 -13 12 57 o 30.93222 9.132133 60.23644       29.55295 70.95730       36.91437 41.10000       49.31867 32.60018 10.32158 26.84899 11.22391 5.751184       15.24832 
1 1 1 -13 12 58 o 30.96648 7.900648 57.75544       24.02205 50.94784       36.40197 63.00697       31.97211 27.87903 10.21115 31.05405 9.572206 -3.175013      13.99624 
1 1 1 -13 13 1  o 285.4824 5.593909 4000.387       156.3151 4193.495       229.4160 3833.050       213.5605 291.7299 8.041757 278.9504 7.829201 12.77951       11.22347 
1 1 1 -13 13 2  o 92.05711 3.022616 415.5558       27.19928 398.1956       40.93006 429.2849       36.39862 89.98911 4.662618 93.50163 3.986183 -3.512512      6.134302 
1 1 1 -13 13 3  o 137.9643 4.627618 934.4863       62.40441 826.9000       85.36063 1058.000       91.46118 129.5305 6.755895 146.6094 6.388701 -17.07887      9.298259 
1 1 1 -13 13 4  o 78.94963 3.458300 305.9872       26.66025 295.9108       35.28082 319.4000       40.70478 77.53685 4.670273 80.51481 5.192606 -2.977959      6.983882 
1 1 1 -13 13 5  f 200.6483 4.206522 1973.769       82.61617 1957.810       117.6991 1989.267       115.9933 199.5639 6.032313 201.1820 5.896668 -1.618057      8.435609 
1 1 1 -13 13 6  o 31.53719 5.175671 50.07654       15.42328 26.23348       24.32398 66.10840       19.94554 24.29659 8.404034 36.24159 5.819468 -11.94500      10.22223 
1 1 1 -13 13 7  o 177.9030 4.540728 1553.244       79.00594 1498.315       95.29545 1674.000       141.2952 174.6030 5.583066 184.1984 7.854772 -9.595352      9.636807 
1 1 1 -13 13 8  o 100.0387 4.252433 491.6016       41.54513 0.000000       0.000000 491.6016       41.54513 ?        ?        100.0387 4.252433 ?              ?        
1 1 1 -13 13 9  o 245.5119 4.930231 2957.679       118.4802 3062.852       172.2416 2863.220       163.2338 249.3999 7.062739 241.1578 6.922328 8.242126       9.889435 
1 1 1 -13 13 10 o 50.98855 3.641854 128.0720       18.05645 105.0397       25.32055 151.9040       25.75639 45.88764 5.764166 55.43633 4.793674 -9.548687      7.496994 
1 1 1 -13 13 11 o 117.5642 3.591880 678.0572       41.28510 694.4000       69.09120 668.9811       51.48825 118.7272 5.964297 116.6926 4.516264 2.034660       7.481276 
1 1 1 -13 13 12 o 69.66861 3.549801 238.5116       24.12756 240.7771       30.61786 234.8000       39.19062 69.91453 4.497917 68.87965 5.868633 1.034882       7.394059 
1 1 1 -13 13 13 o 66.87271 3.604576 219.8389       23.50722 212.9949       29.34340 232.1000       39.27555 65.72807 4.589772 68.46926 5.918356 -2.741196      7.489522 
1 1 1 -13 13 14 o 54.87843 3.567842 148.2473       19.06132 149.2725       25.55774 146.9623       28.61395 54.94104 4.800644 54.42960 5.443731 0.5114441      7.258126 
1 1 1 -13 13 15 o 190.8570 4.090269 1786.573       76.41280 1686.455       104.9237 1899.644       111.5043 185.1434 5.796884 196.5070 5.803413 -11.36356      8.202651 
1 1 1 -13 13 16 o 68.64516 3.591278 231.6400       24.04651 210.4000       33.98502 252.9348       34.02883 65.22490 5.370682 71.61240 4.883817 -6.387505      7.259193 
1 1 1 -13 13 17 o 67.56232 3.682667 224.4815       24.26209 240.6000       34.93600 209.4657       33.71986 69.79911 5.149749 65.07661 5.340588 4.722504       7.419016 
1 1 1 -13 13 18 o 68.87343 3.391329 233.1076       22.79241 216.9959       30.71800 252.8434       33.99761 66.30729 4.764645 71.58733 4.881032 -5.280045      6.821020 
1 1 1 -13 13 19 o 21.37274 6.383063 22.74347       14.37199 29.28312       17.01508 6.460804       26.84848 24.08454 6.877250 20.35303 8.374012 3.731504       10.83608 
1 1 1 -13 13 20 o 41.33321 4.347400 84.78887       17.32573 97.66603       21.36471 60.05299       29.61084 44.30164 5.014958 34.17363 8.799519 10.12800       10.12824 
1 1 1 -13 13 21 o 242.9399 4.927365 2900.950       117.1709 2801.703       162.7083 3007.861       168.8730 238.1326 6.988029 246.7417 6.999232 -8.609116      9.890490 
1 1 1 -13 13 22 o 145.3847 3.503608 1036.911       49.85863 1023.677       69.76855 1050.724       71.27715 144.2005 4.950297 146.0881 4.991923 -1.887558      7.030273 
1 1 1 -13 13 23 o 253.0049 5.916542 3155.983       146.5221 3376.000       268.2086 3062.388       174.9329 259.3875 10.58598 248.6884 7.193935 10.69913       12.79905 
1 1 1 -13 13 24 o 146.1671 3.501512 1048.632       50.09699 975.4279       68.09003 1135.027       73.97039 140.6857 4.952281 151.7653 4.986195 -11.07956      7.027604 
1 1 1 -13 13 25 o 134.4890 3.406003 888.5093       44.80108 941.6752       64.72157 839.5984       62.07769 138.2091 4.791413 130.4783 4.869153 7.730728       6.831273 
1 1 1 -13 13 26 o 73.34476 3.197695 264.5793       22.90169 268.6493       31.28833 259.8823       33.61214 73.75438 4.353356 72.47150 4.764732 1.282875       6.454021 
1 1 1 -13 13 27 o 107.7309 3.893976 571.6733       40.99441 539.6000       77.46326 584.1503       48.31453 103.6981 7.686306 108.7757 4.547775 -5.077599      8.930932 
1 1 1 -13 13 28 o 210.6821 4.427819 2188.894       91.31114 2095.333       125.9698 2292.481       132.5480 205.2577 6.277282 214.6849 6.314483 -9.427200      8.903761 
1 1 1 -13 13 29 o 63.59761 3.390274 199.5075       21.02857 228.2074       28.55530 165.5017       31.08300 67.87310 4.320593 57.49760 5.593512 10.37550       7.067878 
1 1 1 -13 13 30 o 123.9014 3.343514 756.0424       40.51245 797.1261       58.22529 717.4878       56.40461 126.8438 4.697719 120.2996 4.799729 6.544197       6.716097 
1 1 1 -13 13 31 o 109.5201 3.263590 591.0010       34.94709 600.8939       49.01905 580.7755       49.83637 110.0844 4.559045 108.1729 4.718106 1.911530       6.560900 
1 1 1 -13 13 32 o 81.95829 3.771193 332.3610       30.17256 351.2542       36.58770 292.2000       53.34397 84.08011 4.461626 75.70290 7.288902 8.377213       8.546005 
1 1 1 -13 13 33 o 75.98630 3.810696 286.0975       28.25254 289.0555       33.77156 279.2000       51.57001 76.18147 4.549656 73.90400 7.220930 2.277466       8.534705 
1 1 1 -13 13 34 o 25.74422 6.644188 34.74010       16.85547 30.02425       20.73826 43.91887       28.93237 24.34319 7.739826 29.05338 9.129778 -4.710190      11.96903 
1 1 1 -13 13 35 o 80.76412 3.723511 323.4856       29.35669 333.6000       43.37960 314.9395       39.87474 81.40671 5.475867 79.20675 5.171434 2.199959       7.531855 
1 1 1 -13 13 36 o 86.54957 3.679636 371.5557       31.10168 359.4000       46.16061 381.6618       42.08957 84.37517 5.621273 87.25620 4.948297 -2.881027      7.488948 
1 1 1 -13 13 37 o 18.75430 7.111149 13.58248       17.95616 16.12036       22.75453 9.393606       29.23347 20.71434 7.967927 21.04077 8.705454 -0.3264332     11.80139 
1 1 1 -13 13 38 o 18.44736 7.171674 11.91927       18.57914 2.836281       24.10374 25.21539       29.16303 18.21899 7.743175 24.18424 9.086217 -5.965248      11.93801 
1 1 1 -13 13 39 o 52.56573 4.390052 139.0192       22.38197 163.6070       30.13793 108.7810       33.42197 56.63271 5.506183 45.09875 7.856510 11.53396       9.593894 
1 1 1 -13 13 40 o 71.82571 4.077075 258.4919       28.54616 265.2000       41.87199 252.6667       39.01950 71.79321 6.013665 70.22533 5.726175 1.567879       8.303810 
1 1 1 -13 13 41 o 48.82608 5.477082 122.8750       25.72552 123.9567       29.78733 119.7000       51.03161 48.60091 6.418272 44.62168 11.58364 3.979237       13.24292 
1 1 1 -13 13 42 o 30.71355 7.117389 51.50371       20.97808 32.49323       27.07276 80.07129       33.18736 25.08448 8.853019 37.44622 9.136559 -12.36174      12.72213 
1 1 1 -13 13 43 o 37.16014 8.301871 77.51899       29.43445 111.8000       61.17064 67.19000       33.57726 41.21931 13.31189 33.94267 9.650725 7.276634       16.44210 
1 1 1 -13 13 44 o 27.35973 10.04731 39.86454       35.27958 40.35000       60.15343 39.61000       43.55750 29.86000 12.43242 28.08988 10.96367 1.770126       16.57610 
1 1 1 -13 13 45 o 21.21650 8.614908 15.61499       27.95646 13.99000       56.14450 16.15073       32.23714 26.10482 11.45285 22.22040 9.162583 3.884426       14.66699 
1 1 1 -13 13 46 o 28.90730 8.452204 47.94813       25.42023 43.37854       29.89069 59.89000       48.32074 27.60751 9.322012 31.54621 11.72725 -3.938694      14.98093 
1 1 1 -13 13 47 o 28.45128 8.548182 46.76887       25.71728 55.02306       31.10588 28.94000       45.71587 30.43601 9.451847 26.15751 10.86014 4.278500       14.39722 
1 1 1 -13 13 48 o 84.74576 5.038409 371.5911       41.60570 427.9000       60.47903 321.0000       57.32618 88.76723 7.017640 75.93474 7.824590 12.83250       10.51054 
1 1 1 -13 13 49 o 49.03342 5.922951 128.4546       27.85203 118.2665       35.70025 144.3000       44.52224 45.23653 8.370843 48.89607 9.645224 -3.659542      12.77111 
1 1 1 -13 13 50 o 27.12568 8.592299 43.27622       25.57862 46.05978       33.69378 39.49000       39.29631 27.76821 9.869135 26.69887 10.41565 1.069336       14.34871 
1 1 1 -13 13 51 o 37.62529 6.764032 78.37263       23.99533 139.4616       36.18006 30.40130       32.06112 49.67736 7.688692 24.32571 9.430970 25.35165       12.16796 
1 1 1 -13 13 52 o 36.65337 6.920619 75.06334       23.91945 81.33160       35.81253 70.01501       32.13923 35.98153 9.872021 33.69170 9.394011 2.289829       13.62733 
1 1 1 -13 13 53 o 60.84077 4.451411 190.9375       26.32586 228.5328       39.00014 159.4679       35.68159 65.08633 6.196345 53.66085 6.956881 11.42548       9.316270 
1 1 1 -13 13 54 o 41.11948 6.031328 91.75172       23.55415 134.3493       35.01318 56.53764       31.83446 48.59462 7.610633 30.09521 9.591827 18.49941       12.24438 
1 1 1 -13 13 55 o 40.69341 6.299122 90.81186       24.28060 123.3210       36.81257 65.77888       32.30350 45.63727 8.555053 32.33424 9.548068 13.30303       12.82008 
1 1 1 -13 13 56 o 30.19003 9.206563 57.10479       29.67645 51.16010       36.82368 68.12000       50.12550 28.33797 10.28673 31.16688 11.86632 -2.828917      15.70434 
1 1 1 -13 13 57 o 20.21500 7.921460 19.37693       22.81321 21.95622       34.74259 17.42185       30.24788 22.49816 9.413836 21.05610 8.795198 1.442062       12.88316 
1 1 1 -13 13 58 o 29.81476 8.733798 56.04869       27.12030 54.32000       52.82064 56.66756       31.60415 28.25462 11.69705 29.38163 9.574576 -1.127014      15.11600 
1 1 1 -13 14 1  o 392.4333 7.477777 7580.920       287.2398 7783.085       415.1242 7395.219       397.8622 396.2911 10.71164 386.3644 10.53015 9.926697       15.02076 
1 1 1 -13 14 2  o 189.3119 4.042530 1756.995       74.90958 1744.872       107.3334 1768.506       104.5960 188.3962 5.827456 189.6958 5.639407 -1.299591      8.109386 
1 1 1 -13 14 3  o 156.1633 4.983746 1197.847       76.08250 1119.000       106.1949 1281.000       109.0559 150.6272 7.223732 161.2331 6.926326 -10.60590      10.00781 
1 1 1 -13 14 4  o 92.29679 4.305130 418.6372       38.78653 542.9000       71.19992 366.2000       46.25179 104.8244 6.978969 86.18827 5.511322 18.63617       8.892732 
1 1 1 -13 14 5  o 80.96169 3.360637 321.7393       26.57432 286.6000       45.71346 339.6755       32.65973 76.12064 6.188638 83.14051 4.025186 -7.019867      7.382504 
1 1 1 -13 14 6  o 224.0343 6.490637 2469.686       142.1837 2609.000       207.7797 2347.000       194.9859 229.6401 9.262776 217.8102 9.166224 11.82990       13.03145 
1 1 1 -13 14 7  o 103.2074 3.636006 522.7180       36.67435 485.5000       70.34055 536.6124       42.97829 99.04329 7.307070 104.5245 4.209341 -5.481201      8.432782 
1 1 1 -13 14 8  o 55.73745 3.473444 152.8408       18.85601 109.8714       28.39802 186.7237       25.21730 46.85248 6.356023 61.56299 4.210121 -14.71051      7.623920 
1 1 1 -13 14 9  o 113.6514 3.565637 633.7052       39.61691 686.6000       70.02711 608.8069       48.04462 118.0383 6.081404 111.3203 4.418017 6.717941       7.516805 
1 1 1 -13 14 10 o 57.93163 3.738127 165.2030       21.08393 169.4072       28.60210 160.2000       31.20156 58.53141 5.041401 56.82402 5.685969 1.707394       7.599077 
1 1 1 -13 14 11 f 99.30389 3.564290 483.9841       34.58920 458.3776       43.63120 527.3000       56.74733 96.54218 4.630650 103.4497 5.625315 -6.907562      7.286089 
1 1 1 -13 14 12 f 107.3932 3.569823 565.9710       37.47363 549.4233       47.16505 594.3000       61.71178 105.7186 4.568661 109.8204 5.761034 -4.101761      7.352698 
1 1 1 -13 14 13 o 241.0889 4.875541 2853.283       115.0552 2805.129       161.8345 2902.496       163.6052 238.5780 6.937388 242.6970 6.893928 -4.119034      9.780265 
1 1 1 -13 14 14 f 101.0419 3.161869 500.8076       31.23321 487.3988       44.27879 514.0858       44.06287 99.55528 4.555940 102.2648 4.412284 -2.709511      6.342305 
1 1 1 -13 14 15 o 144.5707 3.944363 1025.831       55.76444 989.9000       91.83126 1046.820       70.18707 141.6417 6.642084 145.9284 4.920766 -4.286652      8.266270 
1 1 1 -13 14 16 o 107.7550 3.544059 569.8929       37.32960 541.8000       59.07006 588.5721       48.16689 104.8101 5.780201 109.4134 4.507157 -4.603310      7.329747 
1 1 1 -13 14 17 o 69.07877 3.432865 234.5302       23.13901 222.0758       31.96161 248.2472       33.54261 67.06353 4.902833 70.92992 4.860648 -3.866394      6.903888 
1 1 1 -13 14 18 o 114.9663 3.620457 648.8631       40.69101 720.0000       68.37392 609.8514       50.63381 120.8301 5.797998 111.3393 4.656351 9.490883       7.436288 
1 1 1 -13 14 19 o 55.76019 3.710962 153.1873       20.13902 156.1815       26.42352 149.0374       31.10825 56.17393 4.853173 54.71362 5.901899 1.460316       7.641054 
1 1 1 -13 14 20 o 21.86450 6.474004 23.90358       14.83479 33.63425       18.87305 8.171700       23.99722 25.73499 7.207201 19.74201 7.994224 5.992975       10.76343 
1 1 1 -13 14 21 o 78.03607 3.176272 299.1145       24.21089 327.6440       33.47511 267.8223       35.05848 81.57228 4.206711 73.64292 4.891299 7.929359       6.451451 
1 1 1 -13 14 22 o 62.69823 4.546310 194.2410       27.71152 243.7000       59.72636 180.6730       31.28246 69.41946 9.001536 60.34212 5.351762 9.077339       10.47230 
1 1 1 -13 14 23 o 206.7704 4.349017 2101.782       88.02086 2008.494       121.4113 2205.137       127.7945 201.5878 6.160254 211.2251 6.187693 -9.637299      8.731339 
1 1 1 -13 14 24 o 119.1872 3.252868 697.7109       37.91368 628.8364       51.04895 782.4342       56.61863 112.9382 4.627651 126.0043 4.598296 -13.06605      6.523762 
1 1 1 -13 14 25 o 129.8303 3.349196 828.2571       42.52654 801.3513       58.85329 857.6550       61.51841 127.4499 4.725826 131.8463 4.774727 -4.396416      6.717995 
1 1 1 -13 14 26 o 112.0672 3.198178 617.2725       35.04637 605.2536       48.86649 630.0018       50.29028 110.7362 4.517810 112.9728 4.557177 -2.236603      6.417046 
1 1 1 -13 14 27 f 123.6269 3.989917 753.3196       48.21853 727.6000       90.23100 763.6002       57.04728 120.3441 7.700332 124.2999 4.697212 -3.955803      9.019917 
1 1 1 -13 14 28 o 151.8955 3.599517 1135.533       53.51743 1173.428       76.98970 1100.103       74.44461 153.8884 5.118295 148.9997 5.111934 4.888641       7.233866 
1 1 1 -13 14 29 o 68.15968 3.316981 229.1216       22.06331 207.4066       29.29211 257.5957       33.54249 64.59391 4.664313 71.99373 4.787055 -7.399818      6.683690 
1 1 1 -13 14 30 o 44.95299 4.054593 100.5632       17.64914 89.79438       22.01125 119.9524       29.53533 42.16219 5.461754 48.59407 6.362088 -6.431881      8.384922 
1 1 1 -13 14 31 f 46.97976 4.579108 110.3921       20.79013 108.0502       23.70377 118.2000       43.28191 46.29887 5.327465 47.04808 9.720238 -0.7492065     11.08444 
1 1 1 -13 14 32 o 16.82452 6.620566 8.592799       15.99302 18.69092       17.76093 -34.69000      36.77080 20.34048 7.171348 17.74099 8.330991 2.599491       10.99244 
1 1 1 -13 14 33 o 40.05826 4.684999 80.82538       18.02338 92.19665       22.78052 61.79559       29.46973 42.57675 5.601969 33.95557 8.796555 8.621185       10.42887 
1 1 1 -13 14 34 o 56.26549 4.196221 157.9425       22.94394 189.2000       31.67715 123.4476       33.27722 61.26961 5.335102 48.77629 7.184987 12.49332       8.949154 
1 1 1 -13 14 35 o 74.69320 3.879876 277.2809       28.26922 344.2000       42.81102 225.5427       37.64315 82.70907 5.316210 66.69196 5.824816 16.01711       7.886100 
1 1 1 -13 14 36 o 37.27794 5.302145 71.00634       18.80193 72.87008       23.90654 67.98421       30.44252 37.30360 6.797633 35.38917 8.820086 1.914433       11.13561 
1 1 1 -13 14 37 o 49.77106 4.399833 124.4452       21.21426 125.5369       28.01072 122.9768       32.48764 49.49442 5.897665 48.52913 7.044948 0.9652824      9.187696 
1 1 1 -13 14 38 o 82.65541 3.509059 339.3087       28.32559 368.0871       39.63332 309.2615       40.49752 85.58450 4.749695 78.16196 5.325106 7.422546       7.135570 
1 1 1 -13 14 39 o 69.27048 3.780879 239.5217       25.53863 263.7311       34.77914 211.1923       37.62233 72.20331 4.950989 64.04493 6.074032 8.158379       7.836208 
1 1 1 -13 14 40 o 36.36354 5.969230 69.30054       20.51010 52.33979       26.10914 96.63446       33.14522 30.73306 8.428025 41.92654 8.369862 -11.19349      11.87797 
1 1 1 -13 14 41 o 47.13525 5.268857 114.5054       23.89373 133.7000       32.42689 91.70367       35.34276 50.20039 6.771753 40.14533 9.192604 10.05506       11.41756 
1 1 1 -13 14 42 f 85.73967 4.226694 370.8833       35.36293 381.0725       42.40045 347.6000       64.09456 86.37439 5.036952 79.66386 8.343262 6.710526       9.745814 
1 1 1 -13 14 43 o 33.00747 7.614653 60.54278       24.10100 57.48732       28.75950 67.75000       44.17001 31.63391 8.910272 33.47861 11.33187 -1.844702      14.41541 
1 1 1 -13 14 44 o 29.75425 7.464577 49.32133       21.70079 62.52813       29.00387 32.52578       32.70803 32.92225 8.822274 25.48372 9.612200 7.438526       13.04710 
1 1 1 -13 14 45 o 19.58982 8.027130 11.73665       24.54117 25.74942       28.86616 -24.80000      46.61132 23.43965 8.985084 20.36327 9.502948 3.076378       13.07814 
1 1 1 -13 14 46 o 50.74391 6.251085 137.2117       30.39333 132.3000       56.48352 139.2135       36.05865 44.63494 12.45666 50.20874 7.572367 -5.573803      14.57769 
1 1 1 -13 14 47 f 31.58584 9.536428 59.81925       31.95060 0.000000       0.000000 59.81925       31.95060 ?        ?        31.58584 9.536428 ?              ?        
1 1 1 -13 14 48 o 24.01231 8.704539 30.95195       26.35514 58.57000       50.75546 20.75632       30.83850 30.75125 11.88129 22.40818 9.066528 8.343073       14.94546 
1 1 1 -13 14 49 o 17.72245 7.468842 7.058110       22.11408 21.66455       31.83026 -6.570161      30.74598 22.63938 9.192507 17.98277 8.139237 4.656610       12.27800 
1 1 1 -13 14 50 o 45.05808 6.457549 110.6714       27.66734 133.9926       36.05925 77.29000       43.14132 48.53110 7.859409 34.17832 11.18962 14.35278       13.67399 
1 1 1 -13 14 51 o 26.21362 8.598351 40.26734       25.46853 60.16652       34.07203 15.07000       38.34050 30.95198 9.929358 22.52110 9.673329 8.430878       13.86238 
1 1 1 -13 14 52 f 42.00842 6.809598 97.90581       27.04259 103.2826       35.41858 90.39000       41.87513 41.43391 8.991871 36.99473 10.85686 4.439182       14.09699 
1 1 1 -13 14 53 o 15.45658 7.080829 -9.957609      24.17441 -9.352817      31.53160 -10.82000      37.65258 17.73153 8.109396 19.09086 8.779347 -1.359327      11.95154 
1 1 1 -13 14 54 o 29.06656 7.830315 49.67132       22.77475 60.72041       33.63708 40.31853       30.94749 30.89262 9.861166 26.11815 9.437364 4.774467       13.64941 
1 1 1 -13 14 55 o 22.77651 8.860966 26.36749       28.37835 13.12106       35.04678 51.59000       48.36071 21.45075 9.231492 28.69099 11.44139 -7.240242      14.70122 
1 1 1 -13 14 56 o 17.45490 7.451807 6.482310       22.50021 29.84790       34.31534 -11.13925      29.80040 23.92429 9.604761 16.85076 7.771302 7.073524       12.35494 
1 1 1 -13 14 57 o 19.22291 7.994022 13.39428       24.82747 37.55000       49.35102 5.209188       28.72750 26.00531 11.06699 18.65465 8.188066 7.350664       13.76673 
1 1 1 -13 15 1  o 64.40759 4.214251 204.2977       26.42236 135.2000       41.47438 251.5000       34.27913 51.69027 8.491811 71.41844 4.933904 -19.72817      9.821113 
1 1 1 -13 15 2  o 181.6607 3.943696 1617.944       70.12465 1582.968       100.0762 1651.683       98.29040 179.4243 5.705526 183.3133 5.484025 -3.889069      7.913758 
1 1 1 -13 15 3  o 127.9455 3.286522 802.6871       41.12521 746.6655       59.13649 855.1548       57.23001 123.2500 4.911713 131.9635 4.436922 -8.713486      6.619003 
1 1 1 -13 15 4  o 166.8556 4.387160 1366.516       71.59018 1330.180       87.32322 1441.000       125.0249 164.4935 5.430883 170.8796 7.493030 -6.386032      9.254188 
1 1 1 -13 15 5  o 68.52289 3.737068 230.8508       24.97042 185.3000       56.34080 241.9854       27.85568 60.43866 9.863491 70.13140 4.075399 -9.692741      10.67227 
1 1 1 -13 15 6  o 119.9402 3.245524 705.4365       38.06768 670.4767       55.51315 736.4686       52.30190 116.7827 4.867031 122.4557 4.370480 -5.673035      6.541336 
1 1 1 -13 15 7  o 151.3780 4.023185 1124.457       59.55986 1114.000       103.3721 1129.653       72.87125 150.2644 7.047787 151.6297 4.916321 -1.365311      8.593108 
1 1 1 -13 15 8  o 67.92957 3.251694 226.6413       21.55816 202.9341       32.54493 245.1770       28.77724 64.07565 5.234583 70.58070 4.184178 -6.505058      6.701359 
1 1 1 -13 15 9  o 169.2292 4.357975 1405.816       72.12815 1379.307       89.16611 1456.000       122.6836 167.4839 5.446261 171.7634 7.313829 -4.279526      9.118874 
1 1 1 -13 15 10 o 65.12086 3.787833 208.6213       24.04023 175.9741       32.12040 250.2000       36.24876 59.59024 5.571391 71.18641 5.238933 -11.59617      7.647667 
1 1 1 -13 15 11 o 180.6756 4.511897 1601.818       79.79301 1623.000       138.3538 1591.260       97.67381 181.2278 7.817766 179.8733 5.554256 1.354477       9.589954 
1 1 1 -13 15 12 o 100.4202 3.515451 494.9419       34.50150 560.3000       59.60669 462.0125       42.30946 106.6144 5.732881 96.93037 4.471395 9.684074       7.270440 
1 1 1 -13 15 13 o 174.4670 4.405265 1494.586       75.16990 1588.000       133.3422 1451.070       91.00973 179.2672 7.616427 171.7622 5.419982 7.505020       9.348058 
1 1 1 -13 15 14 o 155.0382 4.115245 1180.036       62.39595 1315.000       112.4213 1119.953       75.00975 163.1950 7.054440 150.9128 5.085179 12.28224       8.696216 
1 1 1 -13 15 15 o 79.37019 3.545855 309.4997       27.47811 313.6000       43.35518 306.7468       35.52416 79.66977 5.595146 78.90987 4.619445 0.7598953      7.255682 
1 1 1 -13 15 16 o 12.67291 5.717955 -8.009405      15.03481 4.148678       19.32500 -26.65316      23.93060 17.17952 7.090064 14.13879 6.664660 3.040730       9.730709 
1 1 1 -13 15 17 f 233.2291 5.469450 2675.231       124.8627 3106.000       235.9825 2507.738       147.1486 249.8393 9.667924 225.4451 6.675562 24.39427       11.74870 
1 1 1 -13 15 18 o 88.72758 3.162293 386.4435       27.42028 368.4659       39.05284 403.9240       38.50916 86.48683 4.630013 90.59634 4.355330 -4.109512      6.356565 
1 1 1 -13 15 19 o 185.6806 4.597463 1694.039       83.55857 1890.000       151.5685 1608.478       100.1527 195.2071 7.949072 180.6581 5.670704 14.54900       9.764458 
1 1 1 -13 15 20 o 200.9541 4.266302 1983.601       83.91790 2023.645       120.9391 1946.418       116.5388 202.4956 6.108603 198.6196 6.001238 3.876038       8.563287 
1 1 1 -13 15 21 o 82.33009 3.736217 333.4256       30.03057 336.8799       35.59808 324.9000       55.92590 82.67384 4.414993 80.72253 7.151956 1.951302       8.404918 
1 1 1 -13 15 22 o 199.8881 4.255559 1963.984       83.26255 2066.390       121.7057 1873.884       114.1584 204.4818 6.087430 194.7439 5.995915 9.737869       8.544460 
1 1 1 -13 15 23 o 174.1971 3.889493 1491.177       66.31932 1528.509       95.56137 1456.490       92.11302 175.9065 5.556989 171.7282 5.486951 4.178299       7.809402 
1 1 1 -13 15 24 o 98.78620 3.955336 480.6119       38.16866 415.4000       72.64761 505.4766       44.85899 90.84921 8.259671 101.2143 4.539499 -10.36511      9.424925 
1 1 1 -13 15 25 o 120.3120 3.252704 711.4766       38.27023 662.2938       52.58603 766.8581       55.80156 115.8147 4.648186 124.6510 4.581247 -8.836273      6.526367 
1 1 1 -13 15 26 o 89.66352 3.105860 395.3837       27.21746 350.3640       36.57976 451.2197       40.73770 84.17638 4.455473 95.57397 4.366157 -11.39758      6.238155 
1 1 1 -13 15 27 o 94.15404 3.931605 437.5094       36.15416 387.3000       70.40430 455.4919       42.13397 87.29362 8.340992 95.95048 4.498729 -8.656860      9.476851 
1 1 1 -13 15 28 o 170.5105 3.865447 1433.212       64.51447 1474.245       93.11451 1395.329       89.46913 172.2026 5.531400 167.5580 5.462388 4.644623       7.773935 
1 1 1 -13 15 29 o 119.6173 3.314294 704.9093       38.76791 700.6118       54.35924 709.3577       55.30519 118.8635 4.681324 119.5866 4.734087 -0.7230835     6.657806 
1 1 1 -13 15 30 o 100.7428 3.765259 501.6207       37.06383 517.5159       45.78499 471.4000       63.13108 102.0866 4.593695 96.62791 6.716547 5.458702       8.137201 
1 1 1 -13 15 31 o 77.84016 3.898659 300.3020       29.61014 335.1976       36.27260 230.6000       51.26443 82.07243 4.532785 66.80563 7.998446 15.26680       9.193546 
1 1 1 -13 15 32 o 58.53047 3.734179 170.0228       21.28200 198.7170       28.53377 134.0472       31.94966 63.06400 4.655258 51.17830 6.526106 11.88570       8.016326 
1 1 1 -13 15 33 o 16.92822 6.688234 8.610708       16.38039 9.795000       20.31366 6.409010       27.69731 18.55877 7.410468 20.15662 8.417609 -1.597847      11.21478 
1 1 1 -13 15 34 o 65.55919 3.676876 213.3927       23.50039 252.9607       32.02767 167.2428       34.58905 71.11185 4.626378 57.20483 6.280476 13.90702       7.800497 
1 1 1 -13 15 35 f 54.42319 4.106439 147.9340       21.71399 176.1925       28.63525 109.7000       33.30825 59.15020 4.992390 45.60894 7.737201 13.54126       9.208053 
1 1 1 -13 15 36 o 29.28029 6.301498 45.10282       17.52481 36.74146       21.71904 60.70406       29.66755 26.36414 7.840245 33.35988 8.915108 -6.995735      11.87218 
1 1 1 -13 15 37 o 59.91958 3.922833 179.2313       22.88126 201.7440       30.64447 150.8662       34.39776 63.21416 4.993098 53.95228 6.654351 9.261887       8.319341 
1 1 1 -13 15 38 o 87.66537 3.522032 382.1355       30.16078 432.1044       42.35614 330.7370       42.95781 92.67869 4.684257 80.64667 5.474335 12.03202       7.204902 
1 1 1 -13 15 39 o 42.19316 5.221273 91.41253       21.10407 109.1196       27.02310 63.72786       33.78946 45.74377 6.194298 33.55090 9.726117 12.19287       11.53112 
1 1 1 -13 15 40 o 47.73660 4.722179 116.1342       21.77602 108.7230       27.77693 127.9527       35.07677 45.42617 6.426237 48.69329 7.608197 -3.267113      9.958976 
1 1 1 -13 15 41 o 16.68698 6.988427 4.878484       19.17194 16.86279       23.97955 -16.35491      31.91864 20.75952 8.125384 17.58606 8.085848 3.173460       11.46311 
1 1 1 -13 15 42 o 57.29674 5.380491 169.6829       29.82264 179.1000       37.59544 153.7000       48.97835 58.02904 6.744373 51.27805 10.11760 6.750988       12.15946 
1 1 1 -13 15 43 o 91.74595 4.168134 425.3102       37.33352 448.6999       45.15766 374.8000       66.36029 93.64746 4.943909 82.34797 8.348045 11.29949       9.702169 
1 1 1 -13 15 44 o 36.86998 7.155592 74.59720       24.89247 91.88179       28.88538 24.72000       49.06814 40.80971 7.507737 26.33452 11.11333 14.47519       13.41164 
1 1 1 -13 15 45 o 33.15081 6.841603 60.38011       21.46379 54.87144       28.04986 68.16239       33.33967 30.67951 8.852045 33.75088 9.623234 -3.071367      13.07537 
1 1 1 -13 15 46 o 25.98606 8.210200 38.22213       23.36769 58.98000       34.90020 21.35422       31.46061 31.19514 10.05328 22.78051 9.178754 8.414627       13.61316 
1 1 1 -13 15 47 o 28.92564 7.541667 47.59764       21.56903 52.10918       30.14163 42.86293       30.87812 29.56057 9.322626 27.23517 9.466226 2.325405       13.28611 
1 1 1 -13 15 48 o 13.17081 6.363486 -32.92905      24.84899 21.83000       49.81818 -51.06495      28.67011 25.27627 10.94252 13.02801 6.409634 12.24827       12.68157 
1 1 1 -13 15 49 o 33.76657 8.495746 67.65900       28.05201 82.89000       54.68658 62.22021       32.67893 34.29161 12.52264 31.65572 9.662562 2.635883       15.81713 
1 1 1 -13 15 50 o 41.38057 7.077324 95.49479       27.63679 113.4000       54.61283 89.33108       32.04249 39.93495 12.54260 38.84934 8.648693 1.085606       15.23537 
1 1 1 -13 15 51 o 37.51453 7.655656 80.69212       27.15901 60.81000       52.25711 88.04980       31.78956 30.60443 11.99012 38.47006 8.652524 -7.865629      14.78611 
1 1 1 -13 15 52 o 23.96624 7.925343 32.65739       21.62169 56.75447       31.19883 10.38816       29.99222 30.25663 9.476755 20.16053 8.605072 10.09610       12.80063 
1 1 1 -13 15 53 o 24.25979 8.451331 33.49585       24.61927 31.16848       31.33468 37.25000       39.79688 24.20413 9.339769 26.07648 10.38555 -1.872351      13.96750 
1 1 1 -13 15 54 f 31.05688 9.875615 61.60352       33.76192 61.60352       33.76192 0.000000       0.000000 31.05688 9.875615 ?        ?        ?              ?        
1 1 1 -13 15 55 o 27.03425 8.767363 44.49462       26.51717 51.63471       34.69856 34.47000       41.11436 28.46647 10.02468 25.41753 10.39957 3.048939       14.44456 
1 1 1 -13 15 56 o 15.36418 7.286205 -23.29929      29.42379 -76.26000      45.37159 15.14000       38.65403 15.78756 7.821652 22.03803 9.588913 -6.250474      12.37439 
1 1 1 -13 15 57 o 18.53737 7.551802 13.43927       21.56589 -3.689710      32.59331 26.77816       28.76224 18.31290 8.324836 22.52435 8.873929 -4.211445      12.16756 
1 1 1 -13 16 1  o 132.4389 3.344277 860.1472       43.31881 810.0679       62.94403 905.2097       59.70808 128.3602 5.019445 135.7584 4.499463 -7.398117      6.740920 
1 1 1 -13 16 2  o 50.82854 4.639859 127.8199       22.83013 119.4000       39.96021 131.9000       27.81698 48.44438 8.748990 51.51496 5.606950 -3.070580      10.39147 
1 1 1 -13 16 3  o 172.4208 5.539633 1461.922       93.37120 1347.000       130.0976 1584.000       134.0864 165.0499 8.077346 179.1006 7.666324 -14.05067      11.13625 
1 1 1 -13 16 4  o 171.5009 5.400167 1446.073       90.53955 1637.000       143.2274 1319.000       116.8470 181.9882 8.060379 163.4675 7.321218 18.52066       10.88898 
1 1 1 -13 16 5  o 82.08443 4.407192 331.5010       35.28042 310.6000       63.34521 340.9000       42.47875 78.89832 8.327880 83.15372 5.245691 -4.255402      9.842299 
1 1 1 -13 16 6  o 145.3200 3.938523 1036.316       55.97119 1079.000       100.4663 1017.105       67.39976 147.8701 6.960726 143.8728 4.792697 3.997314       8.451134 
1 1 1 -13 16 7  o 91.63654 3.462879 412.1862       31.00488 438.5000       55.75414 400.4056       37.30515 94.24126 6.076460 90.24899 4.234801 3.992279       7.406545 
1 1 1 -13 16 8  o 24.76466 6.593977 31.24021       16.26716 10.09675       25.34079 46.06000       21.21550 20.62583 8.262945 29.98198 7.298731 -9.356144      11.02487 
1 1 1 -13 16 9  o 94.82630 3.574220 441.4456       33.11603 417.8439       43.22104 475.0000       51.53441 92.13480 4.809184 98.18345 5.382915 -6.048645      7.218312 
1 1 1 -13 16 10 o 180.9437 3.970215 1605.759       70.31754 1522.525       98.32928 1692.877       100.5976 175.9008 5.718555 185.5195 5.545997 -9.618652      7.966176 
1 1 1 -13 16 11 o 99.83470 3.170832 488.9667       30.94638 459.8592       45.07634 514.9169       42.56145 96.66391 4.778884 102.3562 4.257409 -5.692253      6.400255 
1 1 1 -13 16 12 o 77.36415 3.542229 294.0610       26.75276 284.7000       44.63486 299.3093       33.42121 75.83326 6.063718 77.97230 4.396821 -2.139038      7.490041 
1 1 1 -13 16 13 o 163.6729 4.233395 1315.454       67.76523 1331.000       117.7521 1307.755       82.86198 164.0918 7.349863 163.0553 5.198398 1.036499       9.002435 
1 1 1 -13 16 14 f 181.4150 4.514455 1615.853       80.16501 1779.000       145.6259 1544.919       96.02390 189.5846 7.864542 177.1603 5.544235 12.42426       9.622348 
1 1 1 -13 16 15 o 38.79277 4.667408 74.96752       17.36720 68.45429       24.56619 81.47517       24.55568 36.63749 7.106722 40.16929 6.464608 -3.531803      9.607115 
1 1 1 -13 16 16 o 122.1788 3.310678 732.4664       39.55658 701.6308       56.14949 762.8492       55.73571 119.4045 4.814047 124.5443 4.579769 -5.139885      6.644496 
1 1 1 -13 16 17 o 147.2206 3.559062 1063.185       51.28737 1012.897       72.90495 1112.454       72.16334 143.4176 5.201977 150.3589 4.909802 -6.941315      7.153092 
1 1 1 -13 16 18 o 126.0667 3.354049 780.0654       41.35139 758.0739       59.68193 800.3701       57.34731 124.0681 4.924247 127.5372 4.601318 -3.469101      6.739461 
1 1 1 -13 16 19 o 64.43233 4.232663 204.8090       26.54679 141.4000       57.96986 221.6352       29.86200 52.03925 11.66921 66.99389 4.581410 -14.95464      12.53634 
1 1 1 -13 16 20 o 117.0822 3.270332 673.0453       37.44238 697.5637       54.63678 651.3348       51.41317 118.9976 4.699978 115.0003 4.576541 3.997269       6.560071 
1 1 1 -13 16 21 o 32.84144 5.282180 54.46518       16.40444 62.55502       21.76796 43.83201       24.95625 35.00679 6.594572 29.29633 8.316873 5.710463       10.61408 
1 1 1 -13 16 22 o 157.3379 3.673014 1216.100       56.56689 1279.565       82.83361 1160.638       77.43437 160.9907 5.263610 153.3432 5.166346 7.647461       7.375413 
1 1 1 -13 16 23 o 19.76110 6.692560 18.03045       15.40681 15.64107       19.86990 21.63280       24.39755 20.18488 7.516983 22.93431 8.365965 -2.749437      11.24697 
1 1 1 -13 16 24 o 120.5812 3.926362 716.1313       46.28034 772.2000       90.28837 696.1497       53.89976 124.2119 7.460515 118.7344 4.646687 5.477493       8.789253 
1 1 1 -13 16 25 o 117.4254 3.921318 679.6030       45.00811 687.4000       86.56027 676.7139       52.69105 116.9806 7.600748 117.0191 4.609187 -0.3845215E-01 8.889092 
1 1 1 -13 16 26 o 149.7871 3.597736 1104.259       52.74848 1138.035       76.51824 1073.673       72.81472 151.5246 5.166678 147.2104 5.060819 4.314194       7.232319 
1 1 1 -13 16 27 o 81.82007 4.063752 331.0634       32.44382 263.4000       65.06420 353.4552       37.42911 71.24345 9.572185 84.44058 4.545228 -13.19714      10.59650 
1 1 1 -13 16 28 o 104.4916 4.008571 539.7300       40.92332 404.1000       75.38138 596.4074       48.72938 88.66789 8.801491 109.6944 4.548242 -21.02647      9.907207 
1 1 1 -13 16 29 o 67.78075 3.879194 227.5939       25.62930 217.3200       30.93080 250.1000       45.77972 66.01042 4.820326 70.24064 6.741188 -4.230217      8.287289 
1 1 1 -13 16 30 o 63.38020 3.582372 198.9080       22.13395 160.0218       28.38288 259.2572       35.35854 56.44667 5.195265 72.00146 5.049037 -15.55478      7.244553 
1 1 1 -13 16 31 o 66.58398 3.524978 219.5144       22.89192 210.5980       30.94087 230.2981       34.02685 64.86125 4.909969 67.76299 5.169076 -2.901733      7.129316 
1 1 1 -13 16 32 f 79.43559 3.662588 312.6880       28.40136 344.4000       42.86790 287.8777       37.91733 82.82073 5.316017 75.75420 5.144090 7.066528       7.397411 
1 1 1 -13 16 33 o 72.18340 3.505462 258.2108       24.69382 273.3890       33.94416 241.1476       35.99027 73.91417 4.716314 69.17799 5.356804 4.736183       7.137154 
1 1 1 -13 16 34 f 86.98609 3.461782 374.8334       29.41627 400.5157       41.57421 349.0851       41.62762 89.44582 4.765717 83.34087 5.127730 6.104950       7.000405 
1 1 1 -13 16 35 o 56.53965 3.937006 159.4952       21.65229 180.2732       28.73377 132.1944       32.93663 59.80577 4.952811 50.46182 6.844511 9.343945       8.448530 
1 1 1 -13 16 36 o 33.82352 5.710035 59.27744       18.23210 68.87025       23.01750 43.12335       29.86937 36.16586 6.750302 28.58326 9.307653 7.582600       11.49778 
1 1 1 -13 16 37 o 35.00944 5.696592 63.58650       18.85067 65.45716       23.42155 60.14622       31.76252 35.04847 7.071333 32.93196 9.393880 2.116508       11.75792 
1 1 1 -13 16 38 o 47.81154 4.710615 116.0119       21.75929 124.2616       28.28235 104.0460       34.06190 48.96369 6.028242 43.70322 8.265190 5.260471       10.23001 
1 1 1 -13 16 39 o 40.32766 5.395492 84.10647       20.76417 93.42017       26.25877 68.56451       33.92080 42.01105 6.603256 34.61769 9.650378 7.393360       11.69328 
1 1 1 -13 16 40 f 31.11242 6.738588 52.37653       19.92658 74.59059       25.24707 15.67732       32.45079 37.05396 7.220596 22.40957 9.211773 14.64439       11.70443 
1 1 1 -13 16 41 o 20.08961 7.607358 17.44775       20.53330 20.21731       26.75356 13.47787       32.03064 22.05015 8.596408 21.85476 9.083492 0.1953907      12.50632 
1 1 1 -13 16 42 o 65.50990 3.997831 216.5883       25.51319 235.5957       34.42011 193.4114       38.00836 67.61440 5.241669 60.39437 6.533386 7.220024       8.376170 
1 1 1 -13 16 43 o 46.80176 6.009445 115.6620       26.89525 115.6000       32.37430 115.8000       48.31786 45.92842 7.456851 43.09279 11.31331 2.835625       13.54975 
1 1 1 -13 16 44 o 45.95136 5.644303 110.9114       24.85455 127.7098       29.02505 64.73000       48.12518 49.02749 6.185623 32.45895 11.76305 16.56854       13.29027 
1 1 1 -13 16 45 o 19.37593 7.652309 14.62189       21.43540 -7.802000      29.44657 39.89822       31.26341 17.64648 7.978308 26.72609 9.505735 -9.079605      12.41017 
1 1 1 -13 16 46 o 24.33631 7.659056 32.99274       20.35424 34.70134       27.86386 31.03784       29.80453 25.17599 8.971968 24.49679 9.189404 0.6791973      12.84295 
1 1 1 -13 16 47 o 45.13285 5.140790 106.7470       22.30624 130.1850       31.37042 82.77753       31.72414 48.80424 6.747138 37.37294 8.815889 11.43131       11.10152 
1 1 1 -13 16 48 o 30.62539 7.259404 53.32489       21.42762 84.47981       30.25187 21.95750       30.35484 37.98210 8.363723 22.41976 9.022110 15.56234       12.30245 
1 1 1 -13 16 49 o 32.09600 7.130092 58.25536       21.81796 54.37059       30.58940 62.27817       31.12815 29.82742 9.389585 31.84613 9.364546 -2.018709      13.26119 
1 1 1 -13 16 50 f 36.58698 6.480183 73.82747       22.35776 70.99052       31.36442 76.75829       31.87915 34.01157 9.200520 35.45243 9.131136 -1.440853      12.96253 
1 1 1 -13 16 51 f 37.77129 7.563393 81.72938       26.98705 88.67000       54.53503 79.47855       31.05621 34.97932 12.54195 36.28461 8.829263 -1.305286      15.33807 
1 1 1 -13 16 52 o 46.57407 6.216550 117.9888       27.63291 93.25000       52.93894 127.2533       32.39651 35.90322 12.39915 47.64541 7.168478 -11.74219      14.32222 
1 1 1 -13 16 53 o 30.29845 9.642104 57.96329       32.17889 126.5000       49.88360 9.117000       42.11259 42.85221 11.60776 22.15419 9.810790 20.69802       15.19841 
1 1 1 -13 16 54 o 17.50120 7.653763 2.574045       24.89712 3.202000       49.57835 2.362283       28.79063 22.65452 10.28623 18.49106 8.153664 4.163460       13.12588 
1 1 1 -13 16 55 o 27.81746 9.281711 48.49963       29.63995 0.000000       0.000000 48.49963       29.63995 ?        ?        27.81746 9.281711 ?              ?        
1 1 1 -13 16 56 o 23.27028 8.806505 30.69070       27.50713 64.41647       35.14832 -22.61000      44.18655 30.91814 10.09862 18.92526 8.961420 11.99288       13.50145 
1 1 1 -13 17 1  o 69.43917 4.284598 237.4444       28.98015 192.5457       37.00059 308.7000       46.61239 62.27129 6.150597 79.00012 6.074529 -16.72883      8.644637 
1 1 1 -13 17 2  f 87.54574 4.952480 377.4943       42.26580 329.7000       66.55271 409.8000       54.71638 81.26499 8.491933 91.07277 6.174445 -9.807777      10.49937 
1 1 1 -13 17 3  o 81.12101 3.212845 323.0047       25.46065 252.7154       39.24232 374.1025       33.45887 71.48812 5.654095 87.25317 3.927703 -15.76505      6.884449 
1 1 1 -13 17 4  o 246.2836 5.702945 2981.343       137.4805 3158.000       249.4984 2904.316       164.7484 252.1192 10.13074 242.7341 6.941135 9.385117       12.28052 
1 1 1 -13 17 5  o 36.08083 6.005975 65.71447       20.46593 83.18000       51.30963 62.41000       22.31819 40.54315 12.04906 35.02066 6.755502 5.522491       13.81364 
1 1 1 -13 17 6  o 194.6414 5.803987 1864.193       110.4542 1898.000       160.8119 1834.000       151.9743 195.8242 8.409282 192.5712 8.080508 3.252960       11.66236 
1 1 1 -13 17 7  o 33.19957 5.445189 55.56311       17.08214 42.63721       28.26604 63.00000       21.44028 29.33540 8.992692 35.23449 6.454432 -5.899088      11.06925 
1 1 1 -13 17 8  o 20.30996 6.793740 19.10188       15.87807 42.13820       26.90343 6.789000       19.66893 29.06009 8.745791 17.93268 7.246136 11.12741       11.35761 
1 1 1 -13 17 9  o 139.8615 3.879629 960.1511       53.06093 1067.000       97.39600 915.0528       63.27558 147.0160 6.786464 136.4351 4.745321 10.58090       8.280951 
1 1 1 -13 17 10 o 117.6329 3.633354 679.1881       41.78514 619.8000       70.29087 711.6444       51.96349 112.0117 6.438176 120.3314 4.419279 -8.319740      7.808978 
1 1 1 -13 17 11 o 171.0442 4.346888 1436.885       72.71783 1478.000       127.8830 1417.238       88.40052 172.8620 7.576408 169.7201 5.327870 3.141922       9.262190 
1 1 1 -13 17 12 o 95.97855 3.482515 452.3044       32.66276 467.3000       55.48812 444.3534       40.40459 97.27618 5.854664 95.04301 4.354717 2.233170       7.296619 
1 1 1 -13 17 13 o 131.1294 3.404077 843.7129       43.65543 779.2704       62.36048 905.6455       61.13400 125.8172 5.074053 135.7175 4.608622 -9.900337      6.854590 
1 1 1 -13 17 14 o 233.8306 4.779785 2686.322       109.3997 2614.365       153.9566 2759.712       155.4837 230.1131 6.842795 236.4638 6.724426 -6.350632      9.593839 
1 1 1 -13 17 15 o 64.57430 3.355452 205.0391       21.13609 226.2647       32.27200 189.0959       27.96946 67.67252 4.905299 61.86591 4.652865 5.806614       6.761000 
1 1 1 -13 17 16 o 53.22757 3.689398 139.6848       19.10304 162.1982       28.88083 122.1738       25.47089 57.18515 5.217042 49.54606 5.336084 7.639091       7.462662 
1 1 1 -13 17 17 o 75.90462 3.201939 283.0658       23.73618 298.8286       35.33608 270.1054       32.04132 77.83009 4.659698 74.00900 4.443491 3.821098       6.438742 
1 1 1 -13 17 18 o 165.1884 3.757333 1339.607       60.75270 1325.986       86.70620 1352.744       85.14953 163.9881 5.409116 165.6700 5.257536 -1.681961      7.543223 
1 1 1 -13 17 19 o 70.62095 3.265274 245.2243       22.51035 245.0097       32.76225 245.4161       30.98125 70.40343 4.782549 70.50014 4.513251 -0.9671783E-01 6.575881 
1 1 1 -13 17 20 o 58.01674 3.550620 165.8892       20.06683 174.6523       28.64250 157.4415       28.12222 59.34156 4.976931 56.29119 5.161301 3.050373       7.169997 
1 1 1 -13 17 21 o 76.95991 3.792018 291.7769       28.47750 263.0204       33.36103 369.0000       54.66942 72.92745 4.698501 86.06027 6.538804 -13.13282      8.051824 
1 1 1 -13 17 22 o 77.09006 3.226209 292.3199       24.29048 282.9919       34.11060 301.9167       34.59844 75.64548 4.628973 78.15758 4.542077 -2.512100      6.485203 
1 1 1 -13 17 23 o 100.0144 3.854610 492.8710       37.66478 579.2000       77.26991 465.9665       43.13647 107.5051 7.387945 97.11238 4.550649 10.39271       8.676989 
1 1 1 -13 17 24 o 156.7410 3.675461 1208.865       56.38983 1230.907       81.42222 1188.548       78.17159 157.6275 5.284686 154.9317 5.161896 2.695816       7.387360 
1 1 1 -13 17 25 o 120.6529 3.959306 718.1702       46.69543 624.4000       85.71383 757.7455       55.68412 111.1482 7.930584 123.7638 4.604575 -12.61559      9.170403 
1 1 1 -13 17 26 o 82.91416 3.204944 338.6652       25.96192 335.5857       36.89795 341.6845       36.53612 82.25243 4.601315 83.01959 4.513067 -0.7671585     6.445143 
1 1 1 -13 17 27 o 113.9572 3.290268 639.8112       36.66271 572.0265       50.20751 717.2462       53.66257 107.3436 4.790511 120.2984 4.565564 -12.95477      6.617656 
1 1 1 -13 17 28 o 73.34917 3.794886 266.2873       27.15320 233.5964       32.62331 340.0000       48.98753 68.42442 4.903424 82.20902 6.131962 -13.78461      7.851403 
1 1 1 -13 17 29 o 92.56163 3.254054 422.8163       29.43648 371.9750       40.24438 481.3134       43.16816 86.39204 4.777710 98.40284 4.493632 -12.01080      6.558906 
1 1 1 -13 17 30 o 144.4699 3.606252 1031.070       50.99642 1057.731       73.87827 1006.804       70.48125 145.5132 5.195242 142.0270 5.078039 3.486176       7.264779 
1 1 1 -13 17 31 o 64.60136 3.823973 207.2651       24.07218 215.2000       35.14880 200.2556       33.03577 65.31513 5.550337 63.03954 5.405981 2.275593       7.747959 
1 1 1 -13 17 32 f 50.06701 4.111902 125.2142       19.97377 114.9447       26.32499 139.1472       30.66305 47.48351 5.783083 52.18824 6.118609 -4.704727      8.419110 
1 1 1 -13 17 33 o 86.51355 3.359750 370.5235       28.39690 359.9349       39.25527 382.1470       41.12877 84.78658 4.749018 87.33760 4.829839 -2.551025      6.773516 
1 1 1 -13 17 34 o 19.12450 6.858185 16.30586       16.30729 4.846578       20.34713 36.88516       27.26716 17.36317 7.230071 26.82660 8.901113 -9.463434      11.46751 
1 1 1 -13 17 35 o 15.17111 6.419894 1.838770       16.44827 12.14916       20.45035 -17.05073      27.68046 19.05468 7.490052 16.40751 7.538813 2.647171       10.62707 
1 1 1 -13 17 36 o 37.80925 5.521950 73.66505       19.83323 109.8055       25.90464 22.47156       30.83104 46.17200 5.863909 23.81812 9.244390 22.35388       10.94734 
1 1 1 -13 17 37 o 66.45319 3.811537 220.6844       24.68861 227.8954       32.73770 211.1755       37.59376 67.03000 5.026286 63.99778 6.074007 3.032223       7.883978 
1 1 1 -13 17 38 o 35.68632 5.785652 66.60944       19.51829 63.54001       24.22211 72.29284       32.96001 34.17977 7.450713 35.69529 9.330710 -1.515522      11.94049 
1 1 1 -13 17 39 o 12.97354 5.958099 -10.66015      17.26064 -11.69663      20.81324 -8.377174      30.88944 14.33043 6.566883 18.28623 8.228079 -3.955801      10.52736 
1 1 1 -13 17 40 o 48.81745 6.564853 126.5106       30.57500 6.486000       59.57484 169.4290       35.62453 26.14856 11.61938 56.59807 6.551280 -30.44951      13.33901 
1 1 1 -13 17 41 o 49.83018 4.522859 126.7547       21.82025 130.4332       27.73254 120.7766       35.35393 49.92054 5.782308 46.67770 8.027233 3.242836       9.893005 
1 1 1 -13 17 42 o 19.48941 7.514977 15.74963       20.27588 10.57349       22.66302 36.51000       45.38708 18.87737 7.722066 27.61014 11.05924 -8.732763      13.48841 
1 1 1 -13 17 43 o 31.16054 6.697273 53.13439       19.81880 54.21746       25.27231 51.40440       31.94028 30.81243 8.225538 29.67727 9.622027 1.135155       12.65871 
1 1 1 -13 17 44 f 19.57861 7.538839 16.36561       20.38457 5.211000       27.11277 30.86967       30.91658 18.95631 8.138242 24.69192 9.338187 -5.735611      12.38680 
1 1 1 -13 17 45 o 14.45789 6.715043 -15.10369      22.84121 -20.12529      27.93025 -4.964000      39.68864 15.62253 7.311975 20.56921 9.284592 -4.946687      11.81815 
1 1 1 -13 17 46 o 35.06795 6.423955 67.19578       21.23819 106.8008       30.48204 29.83022       29.60770 43.75446 7.379558 24.08812 9.131874 19.66634       11.74091 
1 1 1 -13 17 47 o 15.71062 6.900701 -0.6515738     20.43691 0.9121619      29.22810 -2.147452      28.58689 18.60194 8.208429 17.98157 8.015944 0.6203766      11.47317 
1 1 1 -13 17 48 o 18.33914 7.451432 11.68098       20.93110 26.22537       29.80540 -2.471254      29.40083 23.13542 9.057779 18.10513 8.096123 5.030291       12.14869 
1 1 1 -13 17 49 o 68.19913 4.033763 237.4100       26.80719 258.4373       38.77479 218.1572       37.10266 69.74072 5.730620 63.79521 6.012610 5.945507       8.306111 
1 1 1 -13 17 50 o 58.97558 4.427827 179.4403       25.37385 200.1771       37.65866 162.1984       34.33877 60.63839 6.443221 54.42331 6.579444 6.215080       9.208919 
1 1 1 -13 17 51 o 34.05969 6.913564 65.30413       22.26052 83.90417       33.16231 50.04963       30.03218 36.97652 9.199874 28.56658 9.335028 8.409945       13.10650 
1 1 1 -13 17 52 o 19.82169 8.081294 14.98442       24.71920 34.67616       31.60698 -16.03000      39.66640 24.91268 9.437289 18.94608 8.816408 5.966593       12.91478 
1 1 1 -13 17 53 f 24.01783 7.991024 33.22197       21.97284 16.68998       33.28433 45.99191       29.25310 21.68666 9.152517 27.41872 9.221965 -5.732063      12.99281 
1 1 1 -13 17 54 o 29.45899 8.205367 52.35536       24.53418 32.26000       44.23719 61.28222       29.48417 25.29374 10.60571 31.27331 9.091106 -5.979565      13.96887 
1 1 1 -13 17 55 o 31.47570 7.410660 58.18858       22.45099 95.33836       34.35623 30.50097       29.65993 38.94011 9.166788 23.47495 9.079152 15.46516       12.90198 
1 1 1 -13 17 56 o 25.43914 7.933859 39.07083       21.89132 48.44826       34.37149 32.67075       28.39549 27.28559 9.933378 23.72956 8.954897 3.556030       13.37394 
1 1 1 -13 18 1  o 105.7391 3.310926 548.5889       34.22598 546.9414       54.43773 549.6659       44.01300 105.3729 5.294912 105.7555 4.260512 -0.3825760     6.796179 
1 1 1 -13 18 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 18 3  o 111.7883 3.838315 613.6093       41.93709 540.3654       53.11081 734.9000       68.34570 104.7469 5.196292 122.1197 5.733681 -17.37283      7.737994 
1 1 1 -13 18 4  o 51.26802 4.815660 130.1937       23.88326 62.18000       42.77562 161.0000       28.78842 35.45885 11.09516 57.00829 5.216864 -21.54944      12.26044 
1 1 1 -13 18 5  o 144.6547 4.865032 1028.788       68.78693 935.6000       97.53675 1121.000       97.02410 137.5454 7.270447 150.7245 6.592364 -13.17908      9.814207 
1 1 1 -13 18 6  o 349.8313 7.805160 6043.794       267.2679 6119.510       331.4305 5903.000       451.9540 351.0551 9.654359 342.4344 13.51026 8.620728       16.60523 
1 1 1 -13 18 7  o 71.16760 5.533091 250.5127       38.24133 250.5127       38.24133 0.000000       0.000000 71.16760 5.533091 ?        ?        ?              ?        
1 1 1 -13 18 8  o 63.48092 3.403994 198.1448       21.07401 199.9831       34.36393 197.0367       26.67996 63.52842 5.582952 63.21085 4.338392 0.3175735      7.070431 
1 1 1 -13 18 9  o 102.9848 3.190894 520.4112       32.12680 510.6129       48.16603 528.2641       43.11993 101.8370 4.845928 103.6557 4.258972 -1.818695      6.451500 
1 1 1 -13 18 10 o 86.89699 3.422127 370.8441       29.05073 400.8000       51.70878 357.0281       35.11666 90.04780 5.899062 85.18191 4.224906 4.865891       7.255947 
1 1 1 -13 18 11 o 76.13570 3.470152 284.8567       25.79288 312.7000       44.80245 271.0537       31.54477 79.50119 5.797183 74.17427 4.364063 5.326920       7.256196 
1 1 1 -13 18 12 o 84.25449 3.142829 348.5037       25.87368 302.2146       39.13820 384.4381       34.48393 78.23576 5.139263 88.41688 3.994833 -10.18111      6.509280 
1 1 1 -13 18 13 o 128.8014 3.344731 814.1438       42.13281 793.6519       61.82971 831.9081       57.56788 126.9571 4.985157 130.0534 4.529138 -3.096306      6.735346 
1 1 1 -13 18 14 o 158.3427 3.675407 1230.307       56.96521 1177.314       81.30594 1281.402       79.83613 154.5711 5.382090 161.3294 5.061945 -6.758331      7.388517 
1 1 1 -13 18 15 o 146.8723 3.965529 1059.903       56.95735 1129.000       101.1563 1027.827       68.92108 151.0051 6.861694 144.4846 4.880317 6.520523       8.420235 
1 1 1 -13 18 16 o 76.57759 3.228281 288.1577       24.14371 256.3927       35.90002 314.3888       32.62340 71.99413 5.127952 79.88768 4.186601 -7.893555      6.619933 
1 1 1 -13 18 17 o 110.8218 3.199057 603.0102       34.66558 584.3380       50.31921 619.8771       47.82491 108.8819 4.732718 112.2086 4.362648 -3.326721      6.436716 
1 1 1 -13 18 18 o 21.96731 6.495658 24.22347       14.94242 60.94081       22.41289 -5.153891      20.04789 34.48845 6.880557 15.53895 6.829688 18.94950       9.694674 
1 1 1 -13 18 19 o 79.24651 3.199664 308.7298       24.76834 354.5386       37.72922 274.0366       32.83416 84.74523 4.565228 74.48044 4.525134 10.26479       6.427919 
1 1 1 -13 18 20 f 65.49494 3.374084 211.2218       21.55776 230.6101       32.09410 195.2823       29.09990 68.23256 4.836726 62.77195 4.771842 5.460613       6.794439 
1 1 1 -13 18 21 o 89.43090 3.143933 393.2078       27.47837 438.7742       40.90978 355.7516       37.09085 94.26991 4.446039 84.85625 4.481457 9.413658       6.312743 
1 1 1 -13 18 22 o 63.34556 3.437425 197.8266       21.23369 206.9831       30.48029 189.1931       29.59713 64.56979 4.858257 61.70103 4.941905 2.868752       6.930013 
1 1 1 -13 18 23 o 113.7630 5.008104 641.2146       55.63074 647.1000       84.43462 636.7000       73.95108 113.3724 7.653491 112.8111 6.727656 0.5613556      10.19006 
1 1 1 -13 18 24 o 95.71296 3.203100 450.9598       29.96644 453.0710       43.38251 449.0334       41.44196 95.63251 4.648424 95.25078 4.457297 0.3817291      6.440135 
1 1 1 -13 18 25 o 115.0693 3.915385 653.8223       44.03593 635.1000       83.99143 660.9196       51.71333 111.9936 7.708911 115.5043 4.583119 -3.510704      8.968405 
1 1 1 -13 18 26 o 161.4027 3.763526 1284.959       59.45822 1204.187       82.32899 1373.016       85.96186 155.5114 5.416865 166.1307 5.293028 -10.61937      7.573545 
1 1 1 -13 18 27 o 45.74843 5.879721 106.1975       25.72124 106.1975       25.72124 0.000000       0.000000 45.74843 5.879721 ?        ?        ?              ?        
1 1 1 -13 18 28 o 115.9722 3.336908 663.7818       37.84012 625.0877       53.04195 703.8846       53.99892 112.0180 4.849036 118.9650 4.646173 -6.947037      6.715659 
1 1 1 -13 18 29 o 90.00716 3.318646 400.2001       29.18771 400.9001       41.93114 399.5420       40.65379 89.63612 4.796581 89.53352 4.654823 0.1026001      6.683904 
1 1 1 -13 18 30 o 73.72237 3.655124 269.4141       26.29367 232.4000       39.13247 299.8786       35.50183 67.73380 5.963179 77.47388 4.703706 -9.740089      7.595021 
1 1 1 -13 18 31 o 33.76567 5.647892 58.70874       18.00797 80.66415       23.59659 28.08735       27.86705 39.49903 6.315853 24.77707 8.955019 14.72195       10.95821 
1 1 1 -13 18 32 o 29.40897 6.392009 45.43971       17.87380 23.84110       22.82670 79.66916       28.73626 22.74443 8.118952 38.68105 7.858114 -15.93662      11.29900 
1 1 1 -13 18 33 o 52.73633 4.117192 139.0873       21.08453 137.4453       28.16677 141.1802       31.79851 51.94643 5.629428 52.39207 6.328702 -0.4456406     8.470119 
1 1 1 -13 18 34 o 21.90450 7.169331 24.11339       17.71061 16.55757       22.96612 35.19972       27.81894 20.81570 8.005412 26.37108 8.992167 -5.555374      12.03934 
1 1 1 -13 18 35 o 61.76396 3.848329 190.4196       23.14997 199.9333       32.29293 180.3614       33.20408 62.75317 5.307044 59.37955 5.786098 3.373627       7.851346 
1 1 1 -13 18 36 o 12.70319 5.863525 -12.14268      17.01717 -5.240039      21.21418 -24.60017      28.49926 15.62907 6.939950 15.71140 7.364028 -0.8233452E-01 10.11888 
1 1 1 -13 18 37 o 50.04536 4.558006 126.9867       22.08299 148.2445       29.20117 98.58899       33.75066 53.62698 5.647714 42.29097 8.449006 11.33601       10.16279 
1 1 1 -13 18 38 o 14.73301 6.616513 -6.766903      19.86690 -8.578292      22.27069 0.2915000      43.96236 15.37969 6.947359 22.73870 10.04895 -7.359000      12.21668 
1 1 1 -13 18 39 o 56.36329 5.726231 165.0525       31.15352 64.23000       63.03234 197.6424       35.83658 33.57523 13.16412 61.53492 6.026957 -27.95969      14.47820 
1 1 1 -13 18 40 o 19.95308 7.354960 18.33266       18.93462 17.92557       23.39101 19.10645       32.24868 20.78294 8.056025 22.83589 9.259901 -2.052944      12.27376 
1 1 1 -13 18 41 o 19.09017 7.557237 13.43747       20.95131 10.10622       23.68740 25.41000       44.90629 19.06851 7.857631 25.88449 10.75659 -6.815985      13.32091 
1 1 1 -13 18 42 o 24.98650 7.506985 34.53653       19.83412 39.89198       26.15304 27.28645       30.42955 26.66697 8.711119 23.99494 9.218252 2.672024       12.68305 
1 1 1 -13 18 43 o 18.43351 7.451015 11.25079       20.80472 13.52000       28.93778 8.822975       29.93205 20.88061 8.652277 20.28326 8.624900 0.5973511      12.21682 
1 1 1 -13 18 44 o 33.66271 6.614997 62.11104       21.01873 80.58332       28.74750 40.89381       30.80947 37.57579 8.057827 26.84779 9.446898 10.72800       12.41662 
1 1 1 -13 18 45 o 21.45481 7.886478 22.99013       21.74503 33.79000       33.78378 15.35109       28.41309 25.39500 9.723929 20.96055 8.618268 4.434456       12.99343 
1 1 1 -13 18 46 o 39.86917 6.544792 87.13818       24.65562 138.9276       30.97891 -2.354000      40.72286 50.61985 6.394730 20.84740 9.407968 29.77245       11.37552 
1 1 1 -13 18 47 o 17.98807 7.298981 11.13418       20.05200 3.002446       27.61112 20.20915       29.16856 18.44606 8.063711 21.83225 8.823337 -3.386183      11.95302 
1 1 1 -13 18 48 o 25.31603 7.723216 36.82626       20.88130 26.15855       29.13148 48.09931       29.94661 23.03593 8.973277 28.21274 9.327011 -5.176805      12.94267 
1 1 1 -13 18 49 o 25.29135 7.764207 36.98110       21.06119 34.67812       30.41803 39.10189       29.18997 24.91655 9.296374 25.87863 9.187064 -0.9620838     13.06999 
1 1 1 -13 18 50 o 18.47432 7.447878 12.77762       20.72673 -15.84308      30.28560 37.99272       28.42669 16.59756 7.716811 25.54521 9.066408 -8.947649      11.90584 
1 1 1 -13 18 51 o 54.97122 5.261878 159.5963       27.96757 192.5002       35.92849 109.0000       44.55280 59.54127 6.258183 40.45974 10.97437 19.08153       12.63336 
1 1 1 -13 18 52 o 27.86098 7.627257 45.48660       21.40458 32.03930       31.24407 57.37955       29.38290 24.24033 9.333482 30.38191 9.139102 -6.141582      13.06281 
1 1 1 -13 18 53 o 24.14976 8.242939 33.79666       23.37734 58.00000       41.90868 22.86367       28.16668 29.62196 10.93810 21.94012 8.737520 7.681841       13.99951 
1 1 1 -13 18 54 o 17.08839 7.240070 6.951207       20.96213 31.20320       32.42556 -10.46133      27.47545 23.91915 9.422522 16.23331 7.477699 7.685835       12.02913 
1 1 1 -13 18 55 o 31.76125 7.221240 59.11826       21.94013 98.35275       33.83993 30.66528       28.81769 39.61494 8.939979 23.30251 8.965994 16.31243       12.66145 
1 1 1 -13 19 1  o 137.4085 4.905280 928.7755       65.86979 1086.000       108.9130 838.1000       82.71122 148.1072 7.537502 130.2631 6.507503 17.84418       9.957988 
1 1 1 -13 19 2  o 247.3003 7.088006 3019.586       171.3984 2850.000       236.5594 3207.000       248.6825 239.1575 10.12825 253.7608 10.03162 -14.60324      14.25535 
1 1 1 -13 19 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 19 4  o 288.6714 6.607464 4107.413       186.7002 3921.107       223.3918 4539.000       340.0071 281.4288 8.117955 301.0649 11.55924 -19.63608      14.12506 
1 1 1 -13 19 5  o 103.5647 4.225512 527.3397       42.74490 485.2000       63.62806 562.0000       57.70576 98.99825 6.603976 106.7480 5.541695 -7.749763      8.621073 
1 1 1 -13 19 6  o 156.7008 3.688593 1204.488       56.57679 1162.518       81.47241 1243.577       78.62675 153.6501 5.425673 158.9855 5.058942 -5.335419      7.418276 
1 1 1 -13 19 7  o 97.33620 3.522169 465.2619       33.50226 528.9000       62.44559 439.5413       39.69941 103.4395 6.195900 94.52355 4.302073 8.915909       7.543011 
1 1 1 -13 19 8  o 177.7688 4.466532 1552.888       77.65832 1718.000       144.0568 1485.249       92.20299 186.1968 7.922262 173.6835 5.430180 12.51331       9.604639 
1 1 1 -13 19 9  o 116.1197 3.593230 662.0454       40.79191 680.7000       72.55969 653.4252       49.32445 117.3516 6.340393 115.2702 4.379550 2.081329       7.705909 
1 1 1 -13 19 10 o 127.7707 3.434393 801.2953       42.91344 769.8113       64.18903 826.7400       57.70501 124.9895 5.258387 129.6444 4.554374 -4.654953      6.956504 
1 1 1 -13 19 11 o 82.99610 3.128714 338.2393       25.37182 337.7383       39.76014 338.5834       32.95318 82.73270 4.932197 82.94390 4.071324 -0.2112045     6.395486 
1 1 1 -13 19 12 o 70.78316 3.220971 246.2244       22.25786 228.5700       35.19054 257.9966       28.73598 67.94032 5.334415 72.37167 4.072934 -4.431351      6.711540 
1 1 1 -13 19 13 o 72.07207 3.206694 255.2708       22.56534 239.2843       35.31966 266.2967       29.33235 69.53041 5.227908 73.52209 4.092036 -3.991676      6.638959 
1 1 1 -13 19 14 o 47.86916 3.741060 113.1753       17.38986 120.9076       29.23385 108.9409       21.63364 49.11202 6.220569 46.82060 4.787819 2.291420       7.849757 
1 1 1 -13 19 15 o 41.34050 4.933342 85.29633       19.56938 -2.070000      54.45525 98.25237       20.97026 26.73333 11.50604 44.41424 4.905274 -17.68091      12.50803 
1 1 1 -13 19 16 o 91.71354 3.100744 413.1373       27.79589 426.3859       41.74897 402.5887       37.25280 92.97735 4.601653 90.39535 4.221900 2.582001       6.244970 
1 1 1 -13 19 17 o 45.10181 3.945366 100.7378       17.24237 112.2462       26.80008 92.60970       22.52269 47.30482 5.917007 42.98411 5.477359 4.320705       8.063029 
1 1 1 -13 19 18 o 93.90089 3.166863 433.3237       29.06587 463.2575       44.50892 411.0667       38.37951 96.85653 4.708855 91.29276 4.307082 5.563774       6.381557 
1 1 1 -13 19 19 o 51.61175 3.710295 131.6187       18.61896 144.4351       28.00611 121.4674       24.92480 53.80982 5.389694 49.32864 5.242282 4.481174       7.518665 
1 1 1 -13 19 20 o 91.38676 3.140602 410.6662       28.05153 438.7848       41.94992 387.9238       37.72697 94.22612 4.561902 88.62147 4.362581 5.604652       6.312136 
1 1 1 -13 19 21 o 90.43541 3.198416 402.3863       28.26801 414.1305       41.95315 392.6208       38.25616 91.47108 4.701475 89.12047 4.399080 2.350609       6.438616 
1 1 1 -13 19 22 o 57.58731 4.427749 164.6372       24.76687 153.4000       33.49062 178.2000       36.79316 55.16486 6.316065 59.48045 6.421208 -4.315586      9.006919 
1 1 1 -13 19 23 o 110.8172 4.987383 609.3787       53.95999 615.2000       82.35734 605.0000       71.42656 110.3244 7.674332 109.8253 6.675863 0.4990921      10.17165 
1 1 1 -13 19 24 o 96.93322 3.198980 462.8308       30.31064 418.2086       42.33080 509.7820       43.42146 91.78310 4.727739 101.4555 4.382765 -9.672394      6.446716 
1 1 1 -13 19 25 o 89.69296 4.906744 400.2872       42.91415 320.8000       68.63827 451.3000       54.98664 78.68269 9.078384 94.89587 5.949694 -16.21319      10.85430 
1 1 1 -13 19 26 o 99.39325 3.704869 488.3601       35.98117 527.6293       46.47419 429.6000       56.84959 103.0363 4.619778 92.32439 6.329066 10.71194       7.835779 
1 1 1 -13 19 27 o 113.3607 3.975065 636.6078       44.03931 502.5000       80.54967 693.7871       52.59644 98.61219 8.425658 118.1264 4.557415 -19.51423      9.579235 
1 1 1 -13 19 28 o 89.57408 4.626571 399.9218       40.42719 0.000000       0.000000 399.9218       40.42719 ?        ?        89.57408 4.626571 ?              ?        
1 1 1 -13 19 29 o 61.47318 3.895055 187.8999       23.31667 157.5000       33.94196 215.0657       32.08577 55.51564 6.360927 65.44736 5.047547 -9.931717      8.120291 
1 1 1 -13 19 30 o 56.68674 3.857643 159.9624       21.27719 118.0588       28.21920 215.1729       32.39141 47.99837 6.147299 65.40192 5.100093 -17.40355      7.987505 
1 1 1 -13 19 31 o 32.19984 6.081969 53.99409       18.46684 62.33721       23.87319 41.56446       29.13904 34.27540 7.337201 28.26889 9.192297 6.006512       11.76150 
1 1 1 -13 19 32 o 57.52365 3.945775 165.0773       22.08242 154.0399       30.20052 177.7581       32.37085 54.99517 5.692472 59.12657 5.662371 -4.131397      8.029114 
1 1 1 -13 19 33 o 15.73878 6.578112 3.437015       16.93546 12.26013       22.04047 -9.281078      26.46190 19.53863 7.745956 17.02385 7.641470 2.514780       10.88080 
1 1 1 -13 19 34 o 30.51700 6.367270 49.18177       18.40359 57.12148       24.53282 38.96348       27.83134 32.49413 7.810266 27.27616 8.990465 5.217968       11.90919 
1 1 1 -13 19 35 o 36.82933 5.619209 70.31419       19.61652 77.46674       26.58075 61.75927       29.06997 37.98196 7.415823 33.37287 8.781808 4.609093       11.49411 
1 1 1 -13 19 36 o 37.72087 5.820950 74.27381       20.80146 76.67644       27.93462 71.28333       31.16524 37.45648 7.869778 35.62366 8.950183 1.832821       11.91802 
1 1 1 -13 19 37 o 47.30264 5.560440 115.9215       25.25435 105.1424       29.55318 145.1000       48.62335 44.29924 7.051719 50.01164 10.27658 -5.712406      12.46334 
1 1 1 -13 19 38 o 33.40038 8.530421 63.17171       27.98429 102.0000       58.28831 51.54107       31.90136 39.72081 13.00660 30.05431 9.604426 9.666504       16.16838 
1 1 1 -13 19 39 o 27.52539 7.207364 41.81258       19.64382 66.20995       25.40333 5.526339       30.98063 34.49842 7.716429 20.21961 8.690275 14.27881       11.62171 
1 1 1 -13 19 40 o 14.07006 6.464323 -11.64929      20.34691 -32.09031      23.11916 58.58000       42.85286 12.74701 6.153625 31.45274 11.13475 -18.70573      12.72202 
1 1 1 -13 19 41 o 66.29315 3.811673 221.5850       24.62951 231.1391       33.90688 210.9129       35.83590 66.86851 5.221736 63.44373 5.835974 3.424774       7.831036 
1 1 1 -13 19 42 o 19.05628 7.398276 14.84464       19.75087 27.91000       27.19709 0.2651972      28.72977 23.59725 8.793118 18.61876 8.179836 4.978485       12.00952 
1 1 1 -13 19 43 o 40.10757 5.451674 84.76518       20.84885 103.4229       28.31837 62.68233       30.80819 43.51795 6.876191 32.42509 9.252458 11.09286       11.52779 
1 1 1 -13 19 44 f 50.66842 4.427364 131.7851       21.73745 134.6566       30.12988 128.6681       31.39173 50.08631 6.283638 48.60605 6.782547 1.480259       9.245920 
1 1 1 -13 19 45 o 18.41440 7.186712 13.97832       18.71477 10.36261       25.66944 18.08091       27.34313 19.30903 8.086450 21.18352 8.549343 -1.874487      11.76783 
1 1 1 -13 19 46 o 23.70263 7.858179 31.57893       21.25290 53.59000       31.27341 12.68984       28.97078 29.56910 9.515435 20.41197 8.572287 9.157131       12.80733 
1 1 1 -13 19 47 o 31.69331 7.633738 58.04196       23.39829 69.73576       28.01976 31.10000       42.53054 34.28844 8.412842 25.46049 10.51395 8.827950       13.46548 
1 1 1 -13 19 48 o 52.31915 4.549387 141.8662       23.06665 167.4658       33.25143 118.1195       32.02545 55.59433 6.216765 45.70051 7.413020 9.893822       9.674763 
1 1 1 -13 19 49 o 52.17009 4.556177 141.2053       23.03313 145.0089       33.30235 137.7172       31.89101 51.16835 6.818745 49.95707 6.689762 1.211285       9.552392 
1 1 1 -13 19 50 o 36.65968 6.945819 75.63271       24.01193 97.97180       30.40820 38.63000       39.13583 41.15480 7.834654 26.21066 10.34350 14.94414       12.97574 
1 1 1 -13 19 51 o 34.94414 6.409578 67.77657       21.11584 111.3124       29.72409 23.42152       30.00246 44.46930 7.064779 22.36657 8.980393 22.10272       11.42622 
1 1 1 -13 19 52 o 14.43417 6.600675 -8.566455      20.88311 -1.458000      33.49692 -13.08584      26.70897 19.06746 8.574917 15.77775 7.304928 3.289711       11.26460 
1 1 1 -13 19 53 o 21.27447 7.577884 24.68611       19.87517 37.04250       29.72833 14.69933       26.72622 25.03876 9.218263 19.98155 8.300491 5.057207       12.40462 
1 1 1 -13 19 54 o 25.36099 7.588567 38.25138       20.29846 61.55641       30.18102 19.00310       27.42868 30.92144 9.253477 20.79620 8.499748 10.12524       12.56473 
1 1 1 -13 19 55 o 29.35209 8.354877 53.64465       25.15145 41.00591       31.12905 77.41000       42.68608 25.58383 9.430510 32.54843 11.13780 -6.964598      14.59401 
1 1 1 -13 20 1  o 95.62371 3.838794 449.3946       35.85775 437.9423       48.34418 463.4000       53.46222 94.22089 5.262839 96.86990 5.663046 -2.649010      7.730948 
1 1 1 -13 20 2  o 350.5392 7.869846 6079.729       270.0281 5732.742       318.4310 6968.000       509.4842 339.3664 9.595696 370.6495 14.06858 -31.28314      17.02945 
1 1 1 -13 20 3  o 127.7113 3.970694 801.2518       49.57627 762.0461       63.63387 861.8000       79.07952 124.3697 5.238916 132.1169 6.131764 -7.747269      8.065034 
1 1 1 -13 20 4  o 142.2423 4.817590 995.5054       66.97884 959.4000       98.12807 1027.000       91.64835 139.1727 7.228097 144.1642 6.511535 -4.991592      9.728591 
1 1 1 -13 20 5  o 165.6733 5.235586 1351.445       84.79663 1299.000       121.6569 1401.000       118.2565 161.8567 7.701004 168.2407 7.197677 -6.384003      10.54097 
1 1 1 -13 20 6  o 120.2103 3.324074 709.2440       39.07521 680.6074       59.02244 731.5891       52.13723 117.5217 5.143348 121.9650 4.374317 -4.443344      6.751939 
1 1 1 -13 20 7  o 161.3219 4.206730 1278.925       66.37025 1349.000       120.9044 1248.700       79.40391 164.9571 7.507663 159.2493 5.100569 5.707779       9.076387 
1 1 1 -13 20 8  o 108.6606 3.517589 579.8842       37.36375 628.3000       69.75073 560.4006       44.24763 112.6775 6.349891 106.7318 4.243815 5.945686       7.637479 
1 1 1 -13 20 9  o 30.53559 5.091809 47.09270       14.68334 36.51589       28.57439 50.88766       17.11601 27.66317 9.109298 31.66061 5.734087 -3.997444      10.76378 
1 1 1 -13 20 10 o 184.5163 4.050880 1672.083       73.16280 1663.779       106.6299 1679.470       100.5714 183.5968 5.941275 184.5549 5.573663 -0.9580078     8.146440 
1 1 1 -13 20 11 o 39.67411 4.101706 78.13789       15.69918 84.80032       28.48803 75.23212       18.81376 40.76794 7.411946 38.77183 5.079424 1.996117       8.985404 
1 1 1 -13 20 12 o 101.9413 3.198079 510.3079       31.87190 515.3113       49.53558 506.7733       41.63442 102.2003 4.966622 101.4641 4.201212 0.7362366      6.505192 
1 1 1 -13 20 13 o 68.22057 3.227088 228.8654       21.48817 229.7465       34.33155 228.2979       27.55240 68.09640 5.189754 68.02898 4.157557 0.6741333E-01  6.649724 
1 1 1 -13 20 14 o 36.49088 4.396627 66.43204       15.38793 57.73611       25.79695 71.23521       19.17232 33.41239 7.994876 37.64267 5.354220 -4.230278      9.622148 
1 1 1 -13 20 15 o 18.64818 6.263806 16.14174       13.49616 11.67124       23.19201 18.43085       16.59558 20.19554 7.964750 20.18092 6.943396 0.1462173E-01  10.56636 
1 1 1 -13 20 16 o 143.8467 3.492838 1016.443       49.17957 1052.760       73.12545 986.4517       66.45317 145.9958 5.125024 141.3952 4.808472 4.600616       7.027608 
1 1 1 -13 20 17 o 120.7399 3.286165 716.5033       38.80094 712.2856       57.53557 720.0216       52.54854 120.0724 4.905716 120.8236 4.450875 -0.7512054     6.623922 
1 1 1 -13 20 18 o 89.89982 3.148024 397.4203       27.65874 385.2092       41.43918 407.2309       37.14321 88.22569 4.816820 90.84021 4.188568 -2.614517      6.383248 
1 1 1 -13 20 19 o 46.64107 3.905486 107.8332       17.66638 128.3290       27.06189 92.61182       23.32138 50.61145 5.553771 42.86989 5.698727 7.741554       7.957377 
1 1 1 -13 20 20 o 76.95596 3.180462 291.5840       23.90571 298.9839       35.87931 285.6763       32.05806 77.64735 4.743386 75.97725 4.328606 1.670097       6.421569 
1 1 1 -13 20 21 f 71.97457 3.255737 255.2944       22.87751 250.0241       33.56968 259.8646       31.26092 70.92464 4.864992 72.40622 4.432057 -1.481575      6.581131 
1 1 1 -13 20 22 o 144.9259 3.541025 1034.491       50.23208 1026.584       72.55370 1041.770       69.61515 143.7703 5.164045 144.9306 4.914351 -1.160248      7.128689 
1 1 1 -13 20 23 o 43.65924 4.272878 95.09261       18.02656 110.3317       25.88492 80.74188       25.11913 46.71814 5.783929 39.62323 6.716249 7.094910       8.863512 
1 1 1 -13 20 24 o 76.57204 5.000146 292.4520       37.27151 281.4000       64.08968 298.1000       45.81573 73.54595 9.096435 76.95103 6.133387 -3.405083      10.97103 
1 1 1 -13 20 25 o 68.28600 5.161283 233.4867       34.24272 231.2000       61.79515 234.5000       41.13594 66.05771 9.858368 68.08385 6.242038 -2.026138      11.66835 
1 1 1 -13 20 26 o 109.0944 4.584810 592.2157       48.84959 0.000000       0.000000 592.2157       48.84959 ?        ?        109.0944 4.584810 ?              ?        
1 1 1 -13 20 27 o 157.6565 5.266763 1243.423       81.16181 0.000000       0.000000 1243.423       81.16181 ?        ?        157.6565 5.266763 ?              ?        
1 1 1 -13 20 28 o 21.13865 7.098870 21.65967       17.33459 28.28000       23.99736 14.43585       25.06727 24.21406 8.348697 21.00568 8.281658 3.208378       11.75953 
1 1 1 -13 20 29 o 77.09084 3.392142 294.2964       25.53398 283.0773       35.99459 305.6612       36.22753 75.12027 4.922356 78.13171 4.759600 -3.011436      6.847144 
1 1 1 -13 20 30 o 46.17001 4.364096 107.0303       19.48839 99.10396       26.37451 116.5624       28.92292 43.80435 6.334964 47.55468 6.373951 -3.750324      8.986603 
1 1 1 -13 20 31 o 56.81023 3.863637 160.9336       21.35685 159.8292       29.33487 162.1792       31.15338 56.12288 5.406800 56.42007 5.720079 -0.2971878     7.871009 
1 1 1 -13 20 32 o 26.44640 6.829408 37.19473       17.80127 28.21130       23.98172 48.21835       26.56572 24.01717 8.342718 29.84448 8.615761 -5.827316      11.99301 
1 1 1 -13 20 33 o 60.35866 3.862513 181.9356       22.70026 194.5085       31.97843 169.1648       32.22906 61.87196 5.332254 57.47298 5.808625 4.398987       7.884989 
1 1 1 -13 20 34 o 16.18822 6.758506 4.180525       17.84780 -3.597496      23.70373 14.36305       27.12126 16.82586 7.409697 21.21169 8.530804 -4.385830      11.29948 
1 1 1 -13 20 35 o 31.63694 6.524593 53.45764       19.53354 43.92513       26.45314 64.88789       28.96687 28.28779 8.704683 34.08284 8.665087 -5.795044      12.28231 
1 1 1 -13 20 36 o 16.11248 7.054782 -1.820352      21.20799 4.328220       24.44889 -20.51000      42.62580 18.32743 7.794176 20.15287 9.294242 -1.825438      12.12980 
1 1 1 -13 20 37 o 28.79130 6.852234 45.22328       19.03035 44.65511       24.26523 46.13113       30.67298 28.25921 8.256625 28.66672 9.437789 -0.4075069     12.53969 
1 1 1 -13 20 38 o 39.30243 5.381360 80.56420       20.15918 108.2402       26.32923 41.35256       31.33965 45.28517 6.094424 27.42439 9.536430 17.86077       11.31749 
1 1 1 -13 20 39 o 47.88187 5.087780 118.5344       23.48084 130.7117       27.46983 85.50000       45.24422 49.96546 5.719640 36.97559 11.38509 12.98986       12.74106 
1 1 1 -13 20 40 o 10.83681 5.212772 -22.15735      16.24033 -5.425362      20.33590 -51.61678      26.98372 15.01929 6.723518 12.54179 6.179688 2.477500       9.132045 
1 1 1 -13 20 41 o 66.07710 4.035510 221.2199       25.97644 259.4000       39.47384 192.0567       34.49913 70.34881 5.783561 60.38633 5.912324 9.962479       8.270741 
1 1 1 -13 20 42 o 21.22452 7.288983 23.50947       18.28613 10.32289       23.64501 43.13245       28.84403 18.95006 7.833796 27.38042 9.156645 -8.430361      12.05042 
1 1 1 -13 20 43 o 16.49859 6.769951 7.484036       17.48711 10.96799       23.03328 2.743341       26.86834 18.87381 7.759856 18.38077 7.996101 0.4930420      11.14240 
1 1 1 -13 20 44 o 16.94445 6.816409 9.700888       17.32060 17.31189       23.16293 0.4696706E-01  26.08702 20.21870 7.964103 17.64108 7.770813 2.577625       11.12710 
1 1 1 -13 20 45 o 37.19249 5.552008 73.92006       19.59410 89.39513       26.39513 54.92445       29.24381 40.05600 6.985991 30.06972 9.133041 9.986275       11.49854 
1 1 1 -13 20 46 f 38.77003 5.478089 80.22643       20.21034 85.64578       26.93376 73.24285       30.57468 38.87369 7.347547 34.74900 8.938437 4.124695       11.57074 
1 1 1 -13 20 47 o 31.19301 7.098990 55.27349       21.18608 67.64000       31.67259 45.25964       28.50104 33.05211 9.364800 27.44499 9.100077 5.607121       13.05798 
1 1 1 -13 20 48 o 15.21220 6.815805 -4.096207      20.94724 -16.17241      25.52696 20.80000       36.65225 15.09011 7.038942 22.99625 9.648799 -7.906138      11.94345 
1 1 1 -13 20 49 o 24.48761 7.910583 34.62187       21.60038 31.44751       26.78175 40.53000       36.53722 23.82609 8.753286 26.40118 10.11162 -2.575083      13.37404 
1 1 1 -13 20 50 o 25.96093 7.328346 38.95342       19.43220 40.53507       26.66802 37.16296       28.37379 26.08816 8.805160 25.25655 9.047701 0.8316154      12.62504 
1 1 1 -13 20 51 o 47.72002 5.126009 120.5397       23.56849 147.7000       37.69732 103.1107       30.19814 50.48483 7.886354 42.31495 7.568755 8.169884       10.93072 
1 1 1 -13 20 52 o 18.24720 7.108928 14.67270       18.28598 19.84729       26.94414 10.25436       24.89752 21.05301 8.490263 18.76704 7.917868 2.285971       11.60936 
1 1 1 -13 20 53 o 35.49139 5.991984 69.57579       20.07576 58.28230       29.00474 79.96210       27.81542 30.28695 9.073172 36.56823 7.994468 -6.281288      12.09272 
1 1 1 -13 20 54 o 15.28280 6.899375 -4.115918      21.92500 18.09472       26.58018 -51.40000      38.78242 20.36267 8.350019 15.52225 7.599479 4.840417       11.29048 
1 1 1 -13 21 1  o 99.10910 3.811238 482.8795       36.90419 421.7612       48.00393 571.2000       57.70608 92.41006 5.329636 107.5598 5.499325 -15.14971      7.658172 
1 1 1 -13 21 2  o 101.7712 3.781193 509.1009       37.60142 482.0973       50.04734 544.1000       56.97690 98.84019 5.191184 104.9580 5.565861 -6.117844      7.610992 
1 1 1 -13 21 3  f 24.51537 6.568485 30.69794       16.07921 31.45202       30.58804 30.41000       18.90141 26.72874 9.412233 24.62336 7.311911 2.105375       11.91865 
1 1 1 -13 21 4  o 94.33470 3.179176 436.9538       29.31375 434.5244       46.56311 438.5487       37.72873 93.83353 5.088688 94.40622 4.092590 -0.5726852     6.530241 
1 1 1 -13 21 5  o 82.76164 3.472896 336.6783       28.07119 264.1000       52.45775 365.8007       33.22915 72.65370 7.483335 86.22018 3.947826 -13.56648      8.460830 
1 1 1 -13 21 6  o 128.7361 3.809077 814.3896       47.94556 770.4000       84.31278 835.4135       58.28748 124.6211 6.939271 130.2726 4.578166 -5.651497      8.313428 
1 1 1 -13 21 7  o 43.60772 4.798029 94.66106       20.14212 17.47000       38.47656 123.8000       23.64011 25.60456 10.20712 49.92419 4.900709 -24.31964      11.32265 
1 1 1 -13 21 8  o 77.46784 3.343226 295.0145       25.29123 246.1752       41.57690 323.7014       31.86468 70.36348 6.096790 81.07578 4.027858 -10.71230      7.307153 
1 1 1 -13 21 9  o 141.5877 3.516037 984.0490       48.72876 962.7613       72.39200 1001.685       65.89152 139.6855 5.304234 142.6034 4.727093 -2.917816      7.104949 
1 1 1 -13 21 10 o 121.1191 3.363182 720.5475       39.83352 674.5617       59.73064 757.3796       53.45633 116.8859 5.233976 124.0203 4.410545 -7.134354      6.844517 
1 1 1 -13 21 11 o 204.3885 4.342134 2054.657       86.86919 2099.409       127.5767 2015.972       118.6154 205.9344 6.336555 201.9129 6.008333 4.021515       8.732239 
1 1 1 -13 21 12 o 164.8147 3.749630 1334.663       60.49097 1382.364       90.10525 1295.526       81.61745 167.2664 5.510975 162.0187 5.153049 5.247711       7.544850 
1 1 1 -13 21 13 o 98.08109 3.137733 472.6656       30.08488 496.4558       47.48633 456.7139       38.88427 100.2520 4.853575 96.26993 4.136103 3.982040       6.376876 
1 1 1 -13 21 14 o 50.20345 3.605395 124.4858       17.59912 116.2024       29.67920 128.9780       21.85634 47.99435 6.483305 50.99108 4.422715 -2.996723      7.848163 
1 1 1 -13 21 15 o 30.16534 5.186267 46.17607       14.76142 46.48188       25.82455 46.02767       17.99012 30.03559 8.437506 29.91609 6.340779 0.1194992      10.55448 
1 1 1 -13 21 16 o 22.41419 6.220684 25.67562       14.12879 25.57913       24.14440 25.72588       17.42350 23.87017 8.365716 22.76317 7.074763 1.107000       10.95616 
1 1 1 -13 21 17 o 103.7561 3.172899 529.4397       32.18587 558.1111       49.23202 508.0388       42.53435 106.2159 4.747345 101.4297 4.293900 4.786171       6.401161 
1 1 1 -13 21 18 o 115.0826 3.252548 651.6210       36.60190 710.9471       56.42816 608.5298       48.09140 119.8385 4.820370 110.9551 4.437014 8.883461       6.551569 
1 1 1 -13 21 19 o 26.45021 5.972108 36.14661       15.09468 35.32415       24.00192 36.68473       19.41461 26.51251 8.313326 26.62101 7.254388 -0.1084995     11.03347 
1 1 1 -13 21 20 o 38.44242 4.573701 74.07678       16.87313 93.13694       26.28605 60.71945       22.00503 42.72445 6.489345 34.26064 6.801757 8.463818       9.400825 
1 1 1 -13 21 21 o 60.32999 3.503347 179.9045       20.59920 191.7865       31.26803 170.7932       27.38078 61.93906 5.205508 58.51662 4.823141 3.422440       7.096478 
1 1 1 -13 21 22 o 74.73094 4.163247 276.8999       30.33324 276.6000       42.89061 277.2000       42.90475 74.19395 5.955912 74.27641 5.951058 -0.8246613E-01 8.419499 
1 1 1 -13 21 23 o 34.45121 5.915904 60.93996       19.23107 47.01779       24.66188 82.54000       30.71850 29.87494 8.190469 39.56631 8.201324 -9.691372      11.59075 
1 1 1 -13 21 24 o 71.81535 3.440424 255.0601       24.11407 228.4166       34.05289 281.8593       34.15222 67.49734 5.194118 75.18378 4.663715 -7.686447      6.980623 
1 1 1 -13 21 25 o 63.26389 3.602473 198.3673       22.21591 220.5985       32.61536 179.1252       30.34358 66.33382 5.061424 59.68099 5.247651 6.652832       7.290806 
1 1 1 -13 21 26 o 94.62740 3.590872 443.2801       33.19972 438.9000       54.05553 445.9330       42.06929 93.23890 5.954043 94.58376 4.557455 -1.344864      7.498067 
1 1 1 -13 21 27 f 65.28464 3.646176 211.5477       23.20737 157.0286       32.13529 270.9755       33.55080 55.51667 6.009296 73.59615 4.681649 -18.07948      7.617708 
1 1 1 -13 21 28 o 80.09461 4.713693 321.1867       36.79142 0.000000       0.000000 321.1867       36.79142 ?        ?        80.09461 4.713693 ?              ?        
1 1 1 -13 21 29 o 72.88705 3.443595 263.4294       24.49846 264.6276       35.22291 262.3066       34.09665 72.53879 4.991189 72.27330 4.847823 0.2654877      6.957971 
1 1 1 -13 21 30 o 105.6146 3.328592 552.4094       34.36752 646.0771       53.09095 484.8480       45.08946 113.5246 4.788515 98.36295 4.696711 15.16161       6.707382 
1 1 1 -13 21 31 o 87.40454 3.350592 378.8393       28.61256 406.2797       42.54568 356.1808       38.66121 89.88345 4.853821 84.21047 4.709085 5.672974       6.762770 
1 1 1 -13 21 32 o 66.17331 3.642083 218.1316       23.49962 229.1635       34.31215 208.3855       32.25055 67.20536 5.257827 64.10060 5.184268 3.104759       7.383860 
1 1 1 -13 21 33 o 42.33255 4.897159 91.40732       19.91822 81.03851       28.10309 101.8734       28.23460 38.72780 7.684842 43.95903 6.779585 -5.231232      10.24790 
1 1 1 -13 21 34 o 86.58868 3.472305 373.6072       29.36997 378.8660       42.40451 368.7584       40.71765 86.35456 5.038616 85.27692 4.898649 1.077644       7.027404 
1 1 1 -13 21 35 o 21.66385 7.438295 23.65083       19.04269 41.07938       25.96060 3.350703       28.01776 27.32579 8.656285 19.20563 8.259508 8.120159       11.96456 
1 1 1 -13 21 36 o 20.28111 7.434986 19.08211       19.30581 18.73554       21.82258 20.33000       41.40960 20.69939 7.841574 24.79573 10.31881 -4.096340      12.96025 
1 1 1 -13 21 37 o 32.07966 6.893412 56.18723       21.00048 53.29494       23.76609 66.49000       44.85538 30.83673 7.853579 33.19290 11.41538 -2.356167      13.85603 
1 1 1 -13 21 38 o 29.60380 7.815722 49.30054       22.97704 49.30054       22.97704 0.000000       0.000000 29.60380 7.815722 ?        ?        ?              ?        
1 1 1 -13 21 39 o 17.59824 7.070272 10.11790       18.60909 13.15367       20.69053 -2.734000      42.57164 18.91124 7.502507 21.67163 9.712758 -2.760389      12.27295 
1 1 1 -13 21 40 f 52.41595 5.336263 143.1485       26.99697 153.5000       32.35002 119.4000       48.99926 53.69485 6.273180 43.36626 11.39651 10.32859       13.00896 
1 1 1 -13 21 41 o 16.40494 6.922593 4.702353       19.03746 -0.3577842     21.28588 24.93000       42.55819 16.17205 7.074615 25.09801 10.45409 -8.925968      12.62292 
1 1 1 -13 21 42 o 22.11474 7.527701 26.17360       19.49429 39.58286       22.06928 -21.44000      41.58639 26.33837 7.919938 19.23256 8.975555 7.105803       11.97021 
1 1 1 -13 21 43 o 22.25579 7.480082 26.92155       19.24607 31.39439       21.77338 10.94000       41.15698 23.75913 7.955732 22.63044 9.869860 1.128685       12.67706 
1 1 1 -13 21 44 o 45.28641 5.213037 108.0887       22.68706 125.7528       26.64621 61.54000       43.25566 48.54644 5.717023 30.85079 11.15597 17.69565       12.53555 
1 1 1 -13 21 45 o 24.89258 7.518416 35.56435       19.85647 34.70044       22.59879 38.49000       41.58749 24.58083 8.101324 26.48652 10.59399 -1.905693      13.33657 
1 1 1 -13 21 46 o 44.36542 5.311644 104.2383       22.60848 92.94379       26.21750 137.0000       44.65215 40.92647 6.781864 46.84441 10.04001 -5.917938      12.11592 
1 1 1 -13 21 47 o 16.84116 7.071122 6.757296       19.70586 6.811911       22.64636 6.587000       39.98947 17.69228 7.511837 21.53588 9.547426 -3.843603      12.14829 
1 1 1 -13 21 48 o 29.14742 9.009965 52.15000       28.30277 52.15000       28.30277 0.000000       0.000000 29.14742 9.009965 ?        ?        ?              ?        
1 1 1 -13 21 49 o 39.69463 7.020853 88.79536       26.28118 88.79536       26.28118 0.000000       0.000000 39.69463 7.020853 ?        ?        ?              ?        
1 1 1 -13 21 50 o 42.76776 6.230223 100.4465       25.31511 102.5000       30.82262 96.19000       44.37562 41.99592 7.784778 37.26740 11.23592 4.728523       13.66926 
1 1 1 -13 21 51 o 90.46294 4.023392 419.4052       35.53705 438.2885       43.38446 380.9000       61.95189 91.54561 4.859021 81.21948 7.892089 10.32613       9.267964 
1 1 1 -13 21 52 o 38.87055 6.274624 83.95128       23.06061 81.25721       27.26062 90.73000       43.24199 37.10313 7.756253 35.80209 11.14833 1.301048       13.58104 
1 1 1 -13 21 53 o 18.97722 8.385386 5.155853       30.60063 -46.45000      46.67119 44.07000       40.52781 17.62258 8.562947 26.37655 10.48853 -8.753965      13.54006 
1 1 1 -13 22 1  o 154.7881 5.177072 1181.572       78.32788 1288.000       123.0155 1109.000       101.5813 160.8413 7.837281 149.4931 6.961143 11.34814       10.48239 
1 1 1 -13 22 2  o 99.26617 3.817233 484.6883       37.02082 456.8631       49.72275 519.3000       55.45591 96.14289 5.304176 102.4749 5.549421 -6.331978      7.676611 
1 1 1 -13 22 3  o 93.13525 3.225666 426.1256       29.36186 382.7914       46.62784 454.5998       37.79688 87.95238 5.442827 96.10164 4.027007 -8.149261      6.770610 
1 1 1 -13 22 4  o 69.62508 3.647220 238.6880       24.76948 181.0000       50.68644 256.7865       28.39030 59.59457 8.966771 72.17642 4.034599 -12.58185      9.832648 
1 1 1 -13 22 5  o 59.88047 3.751982 176.8012       21.88084 146.6000       45.70020 185.7837       24.92324 53.48301 9.052238 61.33553 4.176231 -7.852516      9.969149 
1 1 1 -13 22 6  o 56.51623 3.887311 157.6731       21.37349 55.88000       42.71452 191.6729       24.68623 33.85058 11.13695 62.31511 4.069468 -28.46453      11.85716 
1 1 1 -13 22 7  f 33.11795 5.139214 55.31068       16.12001 9.607000       36.57416 66.32957       17.95841 23.71294 9.766870 36.32270 5.199178 -12.60976      11.06450 
1 1 1 -13 22 8  f 54.87435 4.064600 148.8539       21.67700 96.34746       33.02485 188.6000       28.73308 43.30905 8.087684 61.69619 4.795560 -18.38714      9.402554 
1 1 1 -13 22 9  o 107.5753 3.248397 568.6304       34.16567 517.1269       51.24041 609.8566       45.84386 102.2731 5.134953 111.2612 4.217139 -8.988136      6.644697 
1 1 1 -13 22 10 o 34.69592 4.554051 60.28386       15.09314 62.07519       29.55386 59.65181       17.55507 34.55482 8.734714 34.35658 5.397995 0.1982460      10.26808 
1 1 1 -13 22 11 o 81.21788 3.166142 324.3532       25.12208 337.5420       40.97092 316.4070       31.80203 82.55306 5.095158 80.09232 4.069900 2.460739       6.521098 
1 1 1 -13 22 12 o 87.85505 3.106376 379.4429       26.67122 410.0912       43.89817 361.5093       33.57971 91.03552 4.944961 85.62152 4.017915 5.414001       6.371521 
1 1 1 -13 22 13 o 104.3869 3.171451 535.6983       32.36728 550.9598       50.16228 524.8115       42.36719 105.5467 4.868530 103.1441 4.205238 2.402550       6.433242 
1 1 1 -13 22 14 o 107.1581 3.179640 564.6470       33.31412 603.4336       52.54309 538.5731       43.08019 110.4350 4.872738 104.4635 4.221845 5.971519       6.447291 
1 1 1 -13 22 15 o 20.26781 6.305347 20.33552       13.83608 16.67149       26.11521 21.76536       16.31389 22.09366 8.526198 21.19789 6.876932 0.8957653      10.95391 
1 1 1 -13 22 16 o 112.1392 3.232001 618.7734       35.43902 644.2063       54.69066 600.3647       46.52935 114.0251 4.911637 110.2234 4.321048 3.801651       6.541838 
1 1 1 -13 22 17 o 54.50270 3.614982 146.9029       19.17649 157.8178       31.79468 140.6622       24.04157 56.04050 5.883888 53.14137 4.669363 2.899128       7.511530 
1 1 1 -13 22 18 o 48.37227 3.830944 116.0683       17.99079 138.7908       29.69699 102.8939       22.61262 52.48698 5.881386 45.26009 5.198488 7.226887       7.849522 
1 1 1 -13 22 19 o 47.29059 3.931170 111.1082       18.03273 123.5320       29.29943 103.5326       22.87937 49.36775 6.199680 45.36867 5.248769 3.999081       8.123153 
1 1 1 -13 22 20 o 83.14090 3.238494 340.8536       26.30466 324.9032       39.79367 353.2320       35.05591 80.73248 5.061159 84.41206 4.256517 -3.679588      6.613113 
1 1 1 -13 22 21 o 46.48553 4.135494 107.7035       18.62082 117.5005       28.66134 100.5480       24.49450 48.04453 6.242041 44.52182 5.755202 3.522705       8.490314 
1 1 1 -13 22 22 o 64.87301 3.969144 208.9370       25.08322 222.2225       33.59446 192.2000       37.70667 66.58158 5.195861 61.52564 6.352407 5.055943       8.206708 
1 1 1 -13 22 23 o 95.53924 3.263354 450.6933       30.47293 505.5970       46.42433 409.1290       40.39290 100.7218 4.722008 90.63628 4.567714 10.08548       6.569732 
1 1 1 -13 22 24 o 66.62635 3.567012 219.9855       23.17773 220.3327       33.57789 219.6695       32.03316 66.21382 5.223088 66.19156 4.980678 0.2226257E-01  7.217187 
1 1 1 -13 22 25 o 84.95806 4.609092 360.3578       38.18534 0.000000       0.000000 360.3578       38.18534 ?        ?        84.95806 4.609092 ?              ?        
1 1 1 -13 22 26 o 42.67162 4.723185 91.87235       19.39799 69.73606       27.04260 115.3344       27.84060 36.16239 7.864362 47.42206 6.141926 -11.25967      9.978550 
1 1 1 -13 22 27 o 57.14946 3.908651 162.7998       21.73316 181.9161       31.37181 145.1597       30.13608 59.94891 5.404244 53.33723 5.869206 6.611683       7.978310 
1 1 1 -13 22 28 o 59.30330 3.805315 175.1719       21.97242 166.0773       31.90768 183.3741       30.30185 57.08719 5.790190 60.24004 5.189528 -3.152847      7.775443 
1 1 1 -13 22 29 o 60.35292 4.723317 183.3372       27.68093 23.02000       61.39391 224.2434       31.01200 29.53132 12.44501 66.76112 4.777273 -37.22979      13.33044 
1 1 1 -13 22 30 o 58.99911 3.780259 173.6524       21.71612 156.6093       31.71084 188.7040       29.80056 55.23991 5.958914 61.07898 5.029069 -5.839073      7.797448 
1 1 1 -13 22 31 o 18.38697 7.030176 12.96724       17.64149 7.255263       24.49503 19.12302       25.42883 19.10612 7.942460 21.90347 8.423717 -2.797350      11.57764 
1 1 1 -13 22 32 o 26.28310 7.851469 37.21836       21.74303 18.74986       25.78073 82.72000       40.46624 21.80757 8.456343 37.83592 10.53778 -16.02835      13.51127 
1 1 1 -13 22 33 o 43.37850 5.807168 97.88537       24.03843 99.18039       28.76928 94.89000       43.75389 43.08646 7.066271 40.07190 10.87821 3.014561       12.97180 
1 1 1 -13 22 34 o 31.07216 9.819781 55.24660       33.42607 54.56000       54.94540 55.65000       42.11591 31.83755 12.34538 31.30863 11.04269 0.5289154      16.56350 
1 1 1 -13 22 35 o 31.31566 6.709093 53.22047       19.94612 50.13165       22.66923 63.81000       41.97390 30.01336 7.684243 32.77710 11.04666 -2.763746      13.45646 
1 1 1 -13 22 36 o 24.69910 7.421576 33.42057       19.38447 22.59852       21.50971 80.21000       44.72535 21.60017 7.858881 36.01017 11.35610 -14.41000      13.81025 
1 1 1 -13 22 37 o 22.43125 7.754680 26.11415       20.70920 26.11415       20.70920 0.000000       0.000000 22.43125 7.754680 ?        ?        ?              ?        
1 1 1 -13 22 38 f 16.81825 6.872284 7.824468       17.92543 7.731881       19.78379 8.249000       42.36329 17.38133 7.173580 22.95017 10.01131 -5.568840      12.31611 
1 1 1 -13 22 39 o 28.24150 7.629516 45.02684       21.58499 46.09000       24.72461 41.62000       44.25954 28.35455 8.348096 28.08289 11.02491 0.2716618      13.82893 
1 1 1 -13 22 40 f 58.08451 4.510137 172.9889       25.44146 180.7153       29.45648 150.3000       50.47786 58.97131 5.154869 49.22399 10.77608 9.747322       11.94557 
1 1 1 -13 22 41 o 19.99133 7.231721 19.76114       18.17867 23.59763       20.23708 3.728000       41.37039 21.41688 7.644613 21.86768 9.701822 -0.4508038     12.35174 
1 1 1 -13 22 42 o 12.05432 5.642044 -13.72196      16.63114 2.337629       18.33457 -88.30000      39.51018 15.57673 6.689925 14.06298 7.021094 1.513751       9.697982 
1 1 1 -13 22 43 o 18.65040 6.823184 16.87285       16.24648 6.403434       20.99313 32.50609       25.65314 17.21064 7.266386 24.15436 8.608609 -6.943718      11.26537 
1 1 1 -13 22 44 o 26.42892 8.284222 41.08424       23.83626 67.67000       50.33556 33.39910       27.06302 31.60518 11.92361 24.39774 8.823939 7.207441       14.83356 
1 1 1 -13 22 45 f 25.15831 8.182709 36.67845       23.08914 -11.18000      49.71532 49.84001       26.07142 21.50985 9.961425 28.82450 8.594378 -7.314642      13.15649 
1 1 1 -13 22 46 o 25.56890 8.083972 38.30044       22.65113 98.64000       51.57709 23.88178       25.21264 36.90838 12.24187 21.85853 8.392609 15.04985       14.84248 
1 1 1 -13 22 47 o 25.78218 8.932153 39.38048       27.48178 -15.90000      51.51605 61.37000       32.49110 21.26474 9.945506 31.11444 9.659601 -9.849709      13.86438 
1 1 1 -13 22 48 o 26.61842 7.999761 41.88049       22.52093 18.42000       48.81807 48.22318       25.38336 24.20380 10.64712 28.26676 8.492450 -4.062956      13.61921 
1 1 1 -13 22 49 o 36.78414 6.309551 74.90304       21.90024 73.30000       25.37736 79.58000       43.34686 35.53697 7.529933 33.82494 11.22284 1.712029       13.51488 
1 1 1 -13 22 50 o 37.26301 6.609606 77.70158       23.22518 77.70158       23.22518 0.000000       0.000000 37.26301 6.609606 ?        ?        ?              ?        
1 1 1 -13 22 51 o 24.60330 7.285496 35.36055       18.78627 36.23262       21.02051 31.90000       41.87357 24.74391 7.782862 24.82614 10.35749 -0.8222198E-01 12.95571 
1 1 1 -13 22 52 o 22.20866 9.089247 23.89043       31.41756 -45.27000      48.39793 74.26000       41.30305 18.07338 8.767546 32.21976 10.95737 -14.14638      14.03331 
1 1 1 -13 22 53 o 28.08130 9.694928 52.41597       32.36443 90.85000       50.36923 25.39000       42.23748 33.90983 12.06513 23.49940 10.12397 10.41044       15.74999 
1 1 1 -13 23 1  o 213.5889 6.434391 2262.376       134.3683 2131.000       187.8567 2400.000       192.2712 205.7932 9.350302 218.6346 9.003667 -12.84142      12.98053 
1 1 1 -13 23 2  o 121.3491 4.698339 726.5420       55.70137 840.3000       94.46101 665.9000       68.96807 129.7437 7.469641 115.8421 6.103946 13.90160       9.646435 
1 1 1 -13 23 3  o 124.6302 4.437959 765.6894       54.05289 0.000000       0.000000 765.6894       54.05289 ?        ?        124.6302 4.437959 ?              ?        
1 1 1 -13 23 4  o 149.3358 4.082878 1097.860       59.62508 1047.000       106.6359 1120.994       71.91812 144.8117 7.549110 150.7141 4.881481 -5.902405      8.989879 
1 1 1 -13 23 5  o 87.35159 3.229482 375.1644       27.56523 373.4058       45.84443 376.1602       34.49792 86.78408 5.423969 87.35349 4.045642 -0.5694046     6.766584 
1 1 1 -13 23 6  o 66.59869 3.480671 218.5039       22.61127 185.4077       38.69265 235.6678       27.86426 60.78318 6.609688 69.08108 4.139798 -8.297897      7.799097 
1 1 1 -13 23 7  o 154.8406 3.669031 1178.584       55.60868 1179.374       82.55212 1177.928       75.24053 154.3836 5.471520 154.4324 4.983978 -0.4881287E-01 7.401187 
1 1 1 -13 23 8  o 17.44253 6.139163 13.27406       13.01204 9.332030       29.38831 14.23528       14.51202 21.55625 8.802802 18.21216 6.476492 3.344090       10.92860 
1 1 1 -13 23 9  o 40.66568 4.316478 82.36372       16.91949 72.16000       38.46285 84.81192       18.84023 37.12536 10.24856 41.19668 4.759585 -4.071320      11.29985 
1 1 1 -13 23 10 o 92.99626 3.569585 425.8778       32.43264 439.7664       45.24602 411.2000       46.51360 94.24461 4.921815 91.05279 5.241064 3.191818       7.189785 
1 1 1 -13 23 11 o 10.15587 4.742351 -11.17890      11.63701 1.207650       27.13552 -13.97029      12.88168 19.31336 8.212281 10.41961 4.904809 8.893748       9.565496 
1 1 1 -13 23 12 o 39.44183 4.162546 77.50847       15.82814 65.04141       30.70186 82.02153       18.47218 35.21859 8.902881 40.48140 4.752217 -5.262817      10.09182 
1 1 1 -13 23 13 o 21.25783 6.179544 22.94272       13.62294 -7.700245      28.62848 31.91245       15.48897 18.35403 8.110317 24.84822 6.346437 -6.494196      10.29828 
1 1 1 -13 23 14 o 75.90021 3.220857 283.7946       23.87439 288.5505       39.49239 281.0554       29.97106 76.10699 5.335096 75.38448 4.076928 0.7225113      6.714506 
1 1 1 -13 23 15 o 84.22896 3.175736 349.4137       26.13566 392.7446       43.28273 324.5480       32.78808 88.90632 4.993728 80.98965 4.149833 7.916664       6.492952 
1 1 1 -13 23 16 o 100.0243 3.224732 492.8057       31.53099 482.7445       49.03542 499.8985       41.17149 98.52415 5.102029 100.5212 4.193607 -1.997040      6.604320 
1 1 1 -13 23 17 o 81.91227 3.235189 330.7827       25.88808 314.9173       40.92586 341.3655       33.42507 79.43501 5.293771 83.02714 4.125805 -3.592133      6.711653 
1 1 1 -13 23 18 o 96.93533 3.184608 463.0935       30.17549 518.4021       48.11848 427.2444       38.73956 102.1156 4.827754 92.84284 4.274318 9.272758       6.448023 
1 1 1 -13 23 19 o 38.54211 4.696866 74.75163       17.35394 83.23721       29.60779 70.31083       21.41883 39.83863 7.871936 37.01203 6.126295 2.826603       9.974912 
1 1 1 -13 23 20 o 93.13547 3.700238 429.1472       33.66555 485.0970       46.92397 369.8000       48.32762 98.64722 4.874734 85.76813 5.790504 12.87909       7.569212 
1 1 1 -13 23 21 o 12.74690 5.959737 -17.25975      18.47338 -19.64000      30.56620 -15.89000      23.18733 17.25645 7.926363 14.98091 6.889385 2.275539       10.50195 
1 1 1 -13 23 22 o 54.34635 3.883971 146.9276       20.52486 153.8340       31.72301 141.9548       26.91826 55.02145 5.986701 53.05941 5.251789 1.962036       7.963785 
1 1 1 -13 23 23 o 94.65546 3.351685 442.9909       31.00481 395.3128       44.87341 486.5449       42.88875 88.77841 5.186459 98.83044 4.444872 -10.05203      6.830538 
1 1 1 -13 23 24 o 98.30974 3.675508 479.1078       35.30651 582.7000       63.06268 431.8126       42.61062 107.3092 6.028075 92.94698 4.698806 14.36225       7.643066 
1 1 1 -13 23 25 f 92.45382 3.357545 423.1050       30.33410 368.6575       42.84978 477.8029       42.94818 85.64079 5.135245 97.82547 4.497282 -12.18468      6.826147 
1 1 1 -13 23 26 o 37.77969 6.388970 74.27821       22.78485 57.26315       27.28306 113.5000       41.42284 32.52714 8.482665 45.52206 9.599092 -12.99493      12.81008 
1 1 1 -13 23 27 o 105.4650 4.024306 553.7872       41.46752 397.3000       78.96964 613.3643       48.72593 85.95073 9.547409 110.7655 4.503561 -24.81475      10.55628 
1 1 1 -13 23 28 o 56.94152 4.723633 163.4327       26.09089 158.6000       61.24926 164.5041       28.83822 52.14356 12.21562 56.94385 5.232315 -4.800285      13.28904 
1 1 1 -13 23 29 o 75.39775 4.178273 284.3837       30.71566 271.8275       38.24459 307.2000       51.55418 73.19261 5.375721 76.96500 6.916983 -3.772392      8.760310 
1 1 1 -13 23 30 o 42.45121 5.800521 93.22969       23.47281 74.63316       28.52886 132.2000       41.29860 36.99800 8.102582 49.10684 8.920320 -12.10883      12.05089 
1 1 1 -13 23 31 o 28.78279 7.744594 45.25650       22.29501 41.86839       26.83331 52.81000       40.06540 27.77135 8.800968 31.03556 10.78316 -3.264219      13.91882 
1 1 1 -13 23 32 o 38.31635 6.354329 77.67228       22.99747 65.68339       27.20379 107.7000       43.05278 34.39262 8.197404 42.97738 10.35695 -8.584759      13.20848 
1 1 1 -13 23 33 o 20.56574 7.424234 20.06584       19.14712 11.35434       21.61236 51.85000       41.28203 18.89355 7.609406 30.43651 10.91221 -11.54296      13.30336 
1 1 1 -13 23 34 o 67.57929 4.179877 230.8661       27.51393 223.3549       32.46825 250.0000       51.82130 65.97861 5.066231 67.62766 7.982109 -1.649048      9.454140 
1 1 1 -13 23 35 o 25.09570 7.197654 34.63075       18.59764 43.90723       21.61194 8.159000       36.50848 28.03687 7.659532 21.87758 9.418684 6.159286       12.14002 
1 1 1 -13 23 36 o 18.72440 6.996114 15.57335       17.23966 13.83296       19.89930 20.81000       34.51756 18.89569 7.400114 23.42712 9.550194 -4.531435      12.08172 
1 1 1 -13 23 37 o 18.70632 7.760134 9.171386       23.31478 4.681000       50.89496 10.36397       26.22872 24.05953 10.71242 19.70634 8.207526 4.353188       13.49517 
1 1 1 -13 23 38 o 22.59648 8.617656 24.14987       26.46454 0.000000       0.000000 24.14987       26.46454 ?        ?        22.59648 8.617656 ?              ?        
1 1 1 -13 23 39 o 26.10405 8.277581 38.74267       23.73357 9.154000       50.30259 47.21557       26.91805 24.18970 10.71679 28.45242 8.785358 -4.262720      13.85757 
1 1 1 -13 23 40 o 21.73141 8.075718 23.45242       22.91027 51.54000       47.53370 14.95313       26.14783 29.52938 11.47365 20.39019 8.312118 9.139194       14.16813 
1 1 1 -13 23 41 o 20.42082 7.802331 19.32240       21.71964 -26.59000      46.23876 32.32072       24.60281 19.70689 9.281559 24.15904 8.446361 -4.452150      12.54944 
1 1 1 -13 23 42 o 36.88510 4.813186 71.33289       16.96346 73.69801       22.08764 67.93175       26.48714 36.62469 6.393747 34.07226 8.067530 2.552433       10.29393 
1 1 1 -13 23 43 o 32.85070 5.415555 57.87769       16.80754 66.85990       21.91284 45.04164       26.19525 34.60861 6.710826 27.43822 8.695740 7.170397       10.98413 
1 1 1 -13 23 44 o 13.88617 5.957044 1.608195       14.50645 18.53820       18.64909 -24.33038      23.08353 19.53151 7.280692 13.31379 6.353247 6.217723       9.662930 
1 1 1 -13 23 45 o 21.92392 6.484817 26.82455       14.89072 27.04182       19.35854 26.50971       23.30315 22.09081 7.501716 22.26400 8.167436 -0.1731930     11.08976 
1 1 1 -13 23 46 o 26.62867 6.356642 39.75766       16.33828 53.56356       19.91085 11.30000       28.58624 30.76165 6.794239 19.89155 8.442402 10.87010       10.83678 
1 1 1 -13 23 47 f 24.66030 6.927704 34.74619       17.40910 40.92120       19.28646 7.580000       40.45277 26.61013 7.221673 21.62463 9.593823 4.985500       12.00808 
1 1 1 -13 23 48 f 14.87733 6.442133 1.584064       17.27484 -8.329000      19.16056 44.64000       39.93198 13.80806 6.317463 27.08185 10.51804 -13.27380      12.26945 
1 1 1 -13 23 49 f 25.22377 9.531841 37.08774       32.19753 18.73000       51.37772 48.96000       41.31730 24.34015 10.80454 27.82743 10.72827 -3.487282      15.22609 
1 1 1 -13 23 50 o 22.82350 9.846861 19.40000       40.06806 0.000000       0.000000 19.40000       40.06806 ?        ?        22.82350 9.846861 ?              ?        
1 1 1 -13 23 51 o 20.64672 9.681852 -12.62000      49.36271 -12.62000      49.36271 0.000000       0.000000 20.64672 9.681852 ?        ?        ?              ?        
1 1 1 -13 23 52 o 21.85239 9.019497 22.84682       31.27830 51.23000       48.22238 2.233000       41.09579 27.44031 11.24900 20.49595 9.329148 6.944357       14.61414 
1 1 1 -13 24 1  f 153.1418 3.625804 1153.330       54.35059 1178.000       120.1340 1146.982       60.94436 153.1411 8.042535 152.5676 4.084659 0.5734100      9.020355 
1 1 1 -13 24 2  o 109.6788 4.379575 593.8224       46.92310 0.000000       0.000000 593.8224       46.92310 ?        ?        109.6788 4.379575 ?              ?        
1 1 1 -13 24 3  o 67.15689 4.121623 222.9421       26.96298 0.000000       0.000000 222.9421       26.96298 ?        ?        67.15689 4.121623 ?              ?        
1 1 1 -13 24 4  o 38.54170 4.962312 74.54944       18.28672 42.75000       54.77960 78.53754       19.39957 32.78623 12.42315 39.54211 5.133205 -6.755882      13.44189 
1 1 1 -13 24 5  o 92.62936 3.657606 422.7400       33.09766 373.8000       70.76722 436.4425       37.44551 85.80892 8.538649 94.04562 4.077445 -8.236702      9.462245 
1 1 1 -13 24 6  o 141.1113 3.526804 979.3334       48.71352 965.1459       73.05796 990.6903       65.36487 139.5402 5.358828 141.5760 4.723424 -2.035782      7.143373 
1 1 1 -13 24 7  o 26.86938 5.671579 37.10938       14.44733 53.79258       32.08639 32.86697       16.18031 32.25953 9.513298 25.22817 6.509120 7.031351       11.52699 
1 1 1 -13 24 8  o 36.73280 4.465367 67.54157       15.72585 77.08856       32.50503 64.62415       17.96870 38.33539 8.842740 35.75672 5.293678 2.578671       10.30617 
1 1 1 -13 24 9  o 97.73734 3.267279 470.2157       31.21348 434.0323       48.89024 495.1122       40.55427 93.43713 5.368195 100.1208 4.147129 -6.683640      6.783524 
1 1 1 -13 24 10 o 13.45030 5.635564 1.574257       12.47647 10.43000       37.19797 0.4517199      13.24364 23.80232 9.831325 13.53596 5.745700 10.26636       11.38719 
1 1 1 -13 24 11 o 92.50218 3.264367 421.4054       29.51045 400.3702       47.81672 434.3464       37.50504 89.65193 5.475070 93.74660 4.097113 -4.094666      6.838328 
1 1 1 -13 24 12 o 89.92638 3.687737 399.1016       32.39149 385.4292       45.87083 412.7000       45.74641 87.96425 5.352848 91.09132 5.151665 -3.127068      7.429174 
1 1 1 -13 24 13 o 57.51962 3.455050 163.5072       19.36288 202.7061       36.00521 147.5579       22.96669 63.53642 5.855254 54.47367 4.343246 9.062744       7.290253 
1 1 1 -13 24 14 o 28.02640 5.539825 40.40070       14.65850 5.886892       29.66807 51.54723       16.86020 20.83522 8.707269 31.72787 5.635388 -10.89266      10.37179 
1 1 1 -13 24 15 o 84.08303 3.217603 348.5682       26.43291 322.4066       42.42236 365.1711       33.79515 80.31409 5.428198 85.88797 4.031153 -5.573875      6.761326 
1 1 1 -13 24 16 o 69.06741 3.343885 235.5944       22.53919 219.0771       37.02320 245.3208       28.41068 65.99689 5.789775 70.31358 4.146374 -4.316681      7.121370 
1 1 1 -13 24 17 o 74.91656 3.290660 277.1367       24.07167 303.5721       40.13305 262.2825       30.08386 77.88110 5.296089 72.66138 4.248371 5.219719       6.789492 
1 1 1 -13 24 18 o 89.10729 3.268424 392.0137       28.45911 358.2253       43.89464 416.5172       37.38020 84.56089 5.330293 91.60324 4.179944 -7.042351      6.773770 
1 1 1 -13 24 19 o 35.11909 5.695395 63.25809       18.90819 70.90334       30.39158 58.43000       24.15158 36.39009 8.658458 33.23654 7.590803 3.153553       11.51474 
1 1 1 -13 24 20 o 37.04162 5.661935 70.24976       19.87786 59.80213       31.32885 77.29000       25.71753 33.33468 9.267521 38.45808 7.093063 -5.123394      11.67041 
1 1 1 -13 24 21 o 20.27646 6.991417 19.31356       16.82900 23.84918       28.81443 16.96544       20.73254 23.99977 9.028578 20.48976 7.668837 3.510014       11.84594 
1 1 1 -13 24 22 o 37.00662 5.984107 70.65089       20.93684 56.25000       35.27929 78.48026       26.01291 32.36016 10.06862 38.67154 7.134919 -6.311378      12.34035 
1 1 1 -13 24 23 o 125.3469 3.868256 779.9399       47.40400 754.3000       80.68964 793.4533       58.57881 121.4875 6.812766 125.9758 4.759142 -4.488388      8.310429 
1 1 1 -13 24 24 o 53.78124 4.214504 144.7533       22.00914 86.21690       31.40517 201.2509       30.85341 40.06502 8.281934 63.19361 5.029434 -23.12860      9.689460 
1 1 1 -13 24 25 o 97.00481 3.380973 466.1833       32.05359 409.4930       45.91709 520.0671       44.76607 90.14615 5.226212 101.9967 4.494949 -11.85051      6.893320 
1 1 1 -13 24 26 o 124.8421 3.466676 772.7886       42.32141 859.6370       65.41482 710.2667       55.50235 130.6846 5.123752 118.9904 4.775032 11.69418       7.003839 
1 1 1 -13 24 27 o 112.9863 4.008829 636.4352       44.26503 536.0000       84.57687 674.3246       51.94785 100.3273 8.698301 115.9800 4.584951 -15.65273      9.832712 
1 1 1 -13 24 28 o 56.93121 4.913934 164.1142       27.11555 111.2771       33.14683 271.0000       47.14465 45.66086 7.689296 72.29019 6.740329 -26.62933      10.22533 
1 1 1 -13 24 29 o 73.36393 4.315077 270.4754       30.85002 226.0649       37.69220 360.6000       53.69458 66.31084 5.867612 83.32677 6.638074 -17.01593      8.859622 
1 1 1 -13 24 30 f 26.77406 8.090393 38.97150       22.98889 33.23782       28.23400 50.25000       39.59871 25.56804 9.039340 30.38043 10.70827 -4.812387      14.01344 
1 1 1 -13 24 31 o 49.78301 7.439866 133.3747       35.14324 106.0000       56.54919 150.6000       44.85742 41.00801 12.74556 51.80538 9.182254 -10.79737      15.70869 
1 1 1 -13 24 32 o 51.87410 4.056135 136.0048       20.43171 108.0383       28.43236 165.8677       29.38057 45.00054 6.655354 56.67821 5.359535 -11.67767      8.545077 
1 1 1 -13 24 33 o 33.03909 5.380324 57.26367       16.80156 58.45853       22.72240 55.82231       24.95639 32.56358 7.308629 31.49482 8.062064 1.068766       10.88177 
1 1 1 -13 24 34 o 30.34591 8.570045 52.73089       26.56898 81.40000       49.99904 41.45000       31.36362 35.80746 12.05649 27.34080 9.538033 8.466658       15.37313 
1 1 1 -13 24 35 o 15.96303 7.080931 -3.487648      22.02806 5.129000       47.60782 -5.834908      24.84791 23.58140 10.43761 16.55685 7.420415 7.024546       12.80649 
1 1 1 -13 24 36 f 26.48492 8.099030 39.56041       22.94516 32.98000       52.16594 41.13889       25.54937 27.62496 11.54547 26.93173 8.593996 0.6932297      14.39287 
1 1 1 -13 24 37 o 50.49442 4.417752 130.5590       21.61518 136.4000       31.14446 125.1309       30.02333 50.40764 6.460496 48.21099 6.529906 2.196648       9.185733 
1 1 1 -13 24 38 o 34.30463 5.313547 62.18718       17.26552 69.59604       22.61918 51.84401       26.72564 35.59004 6.739646 29.74727 8.657665 5.842770       10.97169 
1 1 1 -13 24 39 o 29.46747 5.949803 47.15880       16.56947 37.99887       21.41230 60.83087       26.15980 25.81762 7.809474 32.30732 8.245742 -6.489704      11.35694 
1 1 1 -13 24 40 o 38.11156 4.612020 75.50410       16.85541 77.06888       22.55303 73.52419       25.36896 37.57731 6.358123 36.02439 7.440907 1.552925       9.787381 
1 1 1 -13 24 41 o 16.96535 6.421825 12.65457       14.62884 3.893529       18.89473 25.76495       23.11376 16.02118 6.833895 22.16105 8.133433 -6.139866      10.62332 
1 1 1 -13 24 42 o 35.55656 4.904559 66.65898       16.61553 91.78413       22.82136 38.31676       24.23842 41.26244 5.811174 25.58619 8.387887 15.67625       10.20423 
1 1 1 -13 24 43 o 11.71023 5.335972 -6.473529      13.49087 -24.32460      17.53078 19.45084       21.12628 11.06456 5.345620 20.18602 7.699308 -9.121464      9.373099 
1 1 1 -13 24 44 f 34.97360 5.511429 65.84418       18.24346 80.32350       20.33670 6.171000       41.28534 38.67910 5.528623 21.64424 9.641931 17.03486       11.11452 
1 1 1 -13 24 45 o 47.33736 4.630416 116.8989       21.18100 116.8989       21.18100 0.000000       0.000000 47.33736 4.630416 ?        ?        ?              ?        
1 1 1 -13 24 46 o 20.61760 8.764406 13.04853       30.89197 -12.95000      48.31263 31.03000       40.17898 20.87648 9.719837 24.85976 10.23781 -3.983282      14.11694 
1 1 1 -13 24 47 o 28.19610 10.78005 50.56000       41.47900 0.000000       0.000000 50.56000       41.47900 ?        ?        28.19610 10.78005 ?              ?        
1 1 1 -13 24 48 o 23.71858 9.273249 30.34720       31.20447 65.63000       50.19473 8.122000       39.83817 30.54693 11.81194 21.42327 9.511685 9.123657       15.16556 
1 1 1 -13 24 49 o 19.59632 8.583446 7.071630       31.42127 -52.02000      51.42748 42.27000       39.69114 18.39551 8.949946 26.36752 10.41314 -7.972010      13.73080 
1 1 1 -13 24 50 o 29.57382 9.694358 57.69482       32.37732 18.53000       50.40256 85.21000       42.24649 23.76579 10.61582 34.48804 11.05578 -10.72225      15.32729 
1 1 1 -13 24 51 o 26.88423 10.67116 48.30000       41.87919 0.000000       0.000000 48.30000       41.87919 ?        ?        26.88423 10.67116 ?              ?        
1 1 1 -13 25 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 25 2  o 135.9834 4.786569 915.5632       63.61194 0.000000       0.000000 915.5632       63.61194 ?        ?        135.9834 4.786569 ?              ?        
1 1 1 -13 25 3  o 88.30211 3.211496 383.9207       27.71154 309.5000       68.99182 398.2369       30.25981 77.51786 9.276611 89.89506 3.445314 -12.37720      9.895742 
1 1 1 -13 25 4  o 150.2619 4.170731 1114.827       61.28398 1021.000       110.9551 1156.016       73.51506 142.1210 8.008359 152.7519 4.923240 -10.63092      9.400643 
1 1 1 -13 25 5  o 37.87276 4.923004 72.15108       17.81854 76.45000       53.60512 71.61708       18.89284 38.38595 12.46674 37.65691 5.269690 0.7290459      13.53474 
1 1 1 -13 25 6  o 79.67664 3.153908 312.6722       24.54864 274.0000       64.18909 319.2975       26.56839 72.84263 9.208012 80.48015 3.380168 -7.637520      9.808824 
1 1 1 -13 25 7  o 76.99719 3.166615 292.0780       23.81489 325.4000       65.72820 287.0425       25.55103 79.70052 8.559237 76.28569 3.430613 3.414833       9.221151 
1 1 1 -13 25 8  o 84.20274 3.186923 349.2877       26.21920 246.1000       66.03264 368.6012       28.56773 68.51427 10.15307 86.46732 3.381861 -17.95305      10.70149 
1 1 1 -13 25 9  o 52.45023 3.698421 136.2681       18.86585 135.6457       35.64984 136.5102       22.23442 51.46737 7.279471 52.37236 4.377277 -0.9049835     8.494190 
1 1 1 -13 25 10 o 97.77589 3.258152 471.1182       31.13883 438.0165       49.79714 492.3723       39.90246 93.69264 5.453484 99.76299 4.094946 -6.070343      6.819756 
1 1 1 -13 25 11 o 47.24033 3.933394 110.9165       18.02319 53.29227       33.80368 133.8038       21.30384 31.99711 9.838929 51.85767 4.233814 -19.86056      10.71119 
1 1 1 -13 25 12 o 23.68794 6.087873 29.10885       14.19157 58.32000       39.28920 24.72577       15.21908 33.48628 10.65398 22.03986 6.565159 11.44642       12.51434 
1 1 1 -13 25 13 o 65.07117 3.780889 209.7389       23.97807 204.8168       37.64192 213.1000       31.10560 63.69058 6.112925 65.32979 4.900012 -1.639206      7.834409 
1 1 1 -13 25 14 o 99.90605 3.283123 492.4293       32.06232 504.9005       50.70200 484.1190       41.38845 100.5766 5.167500 98.77953 4.290848 1.797020       6.716728 
1 1 1 -13 25 15 o 51.40683 3.754476 131.2613       18.76167 136.2852       35.24463 129.2747       22.16280 51.41960 7.199616 50.85216 4.498916 0.5674438      8.489683 
1 1 1 -13 25 16 o 68.22348 3.445093 230.3284       22.93153 223.9334       39.46662 233.5877       28.17565 66.48109 6.134055 68.51825 4.221583 -2.037155      7.446368 
1 1 1 -13 25 17 o 122.1531 3.380813 737.1169       40.38445 761.3271       62.13960 719.4143       53.13597 123.3909 5.156291 120.2363 4.522951 3.154587       6.858893 
1 1 1 -13 25 18 o 79.45244 3.800533 313.1456       29.47114 313.5068       42.14366 312.8000       41.22837 78.92995 5.489069 78.88621 5.371397 0.4373932E-01  7.679960 
1 1 1 -13 25 19 o 58.87273 3.683171 172.1621       21.11840 202.4508       36.33912 156.7159       25.95041 63.15245 5.948728 55.87076 4.791408 7.281696       7.638387 
1 1 1 -13 25 20 o 71.04461 3.468746 250.1664       24.04889 231.5983       39.06041 261.5019       30.51919 67.51913 5.971726 72.39063 4.326839 -4.871498      7.374486 
1 1 1 -13 25 21 o 22.28073 7.202251 24.97605       17.90349 38.61000       33.93871 19.71904       21.07433 28.04693 9.911033 21.25953 7.772179 6.787397       12.59505 
1 1 1 -13 25 22 o 107.4681 3.431315 572.0816       36.04867 533.7497       53.59339 603.7540       48.71598 102.9300 5.337638 109.9181 4.537648 -6.988098      7.005757 
1 1 1 -13 25 23 o 62.48675 4.585871 195.9781       27.85356 185.6715       35.79391 211.8000       44.34856 60.21473 6.159654 63.84275 7.223537 -3.628014      9.493198 
1 1 1 -13 25 24 o 105.8975 3.439823 556.0371       35.60832 496.7740       51.51496 610.2590       49.27521 99.19232 5.325300 110.4059 4.569512 -11.21355      7.017069 
1 1 1 -13 25 25 o 105.5109 4.021012 555.1091       41.45180 447.7000       80.15413 594.3226       48.43100 91.33025 9.086540 108.8969 4.553665 -17.56666      10.16371 
1 1 1 -13 25 26 o 82.07220 3.524085 334.8584       28.24461 297.2202       43.09196 363.2075       37.39824 76.29504 5.814023 85.06805 4.507454 -8.773018      7.356630 
1 1 1 -13 25 27 o 88.10394 5.323421 394.3116       45.69424 307.5000       70.17899 458.2000       60.20452 74.55357 9.858202 94.11114 6.576941 -19.55756      11.85075 
1 1 1 -13 25 28 o 51.28180 5.514504 135.2109       27.24617 122.6896       34.52010 155.9000       44.37283 47.80396 7.634033 53.27239 8.817799 -5.468433      11.66328 
1 1 1 -13 25 29 o 49.29794 5.600751 125.6680       26.54747 98.00847       32.68389 179.3000       45.51175 42.19426 8.209161 57.29264 8.361942 -15.09838      11.71804 
1 1 1 -13 25 30 o 14.27373 6.921960 -44.20190      30.10026 -30.47000      49.79239 -52.11000      37.78622 20.89912 9.775549 16.06953 7.783979 4.829594       12.49607 
1 1 1 -13 25 31 o 24.86334 6.778703 33.69674       16.94717 37.73316       24.35957 29.91047       23.59267 26.17464 8.395594 23.91875 8.276567 2.255888       11.78930 
1 1 1 -13 25 32 o 26.60949 7.712489 39.38504       21.24842 -64.92000      52.12129 60.17553       23.26992 18.76709 9.102778 32.96719 7.393869 -14.20010      11.72731 
1 1 1 -13 25 33 o 48.73327 6.175264 125.9197       28.79653 217.6000       57.45276 95.16000       33.27850 60.93184 9.978028 40.83679 8.597713 20.09505       13.17125 
1 1 1 -13 25 34 o 43.86065 5.696005 101.3077       23.87705 41.57000       52.64291 116.7801       26.79135 28.91469 11.79147 46.98218 5.959703 -18.06749      13.21199 
1 1 1 -13 25 35 o 25.82396 6.931909 36.98229       17.88741 29.28000       25.51302 44.42867       25.08562 23.71870 8.568992 27.84648 8.459058 -4.127775      12.04090 
1 1 1 -13 25 36 o 15.31501 6.444192 3.938535       16.42177 8.088000       22.04487 -1.234818      24.61487 18.05113 7.521825 17.11358 7.543019 0.9375534      10.65246 
1 1 1 -13 25 37 o 23.43579 6.651361 30.34211       15.96388 19.96173       20.81388 45.17286       24.87872 20.51742 7.682906 27.91343 8.412380 -7.396017      11.39277 
1 1 1 -13 25 38 o 32.01699 5.271242 54.41860       15.94521 62.40586       20.95432 43.43166       24.57611 33.65193 6.597394 27.32435 8.386884 6.327579       10.67077 
1 1 1 -13 25 39 o 18.36064 6.272288 17.28425       13.53632 20.29063       17.56202 12.88411       21.24643 19.96868 7.122141 18.73152 7.544514 1.237158       10.37519 
1 1 1 -13 25 40 o 18.22325 6.230315 17.12608       13.35631 22.43591       17.15425 8.951687       21.28430 20.52297 7.059366 17.79150 7.400446 2.731470       10.22748 
1 1 1 -13 25 41 o 12.90128 5.487132 1.803819       12.11953 9.878991       15.53786 -10.74197      19.36709 16.35868 6.497771 13.57748 6.262862 2.781202       9.024658 
1 1 1 -13 25 42 o 25.16476 9.488206 35.75829       31.86266 -18.10000      49.53860 73.76000       41.61204 20.78306 9.730763 33.12120 10.99618 -12.33814      14.68345 
1 1 1 -13 25 43 o 43.02544 8.449592 109.9067       34.31461 178.5000       55.43609 67.30000       43.69085 51.78596 11.25821 31.47741 11.23286 20.30856       15.90360 
1 1 1 -13 25 44 o 21.85223 10.08939 -6.186000      50.43634 -6.186000      50.43634 0.000000       0.000000 21.85223 10.08939 ?        ?        ?              ?        
1 1 1 -13 25 45 o 33.08458 9.453829 69.31848       32.14183 98.78000       50.75305 49.59000       41.53187 36.72444 12.14232 28.06200 10.77229 8.662439       16.23201 
1 1 1 -13 25 46 o 27.35190 10.62044 46.09000       40.70601 0.000000       0.000000 46.09000       40.70601 ?        ?        27.35190 10.62044 ?              ?        
1 1 1 -13 25 47 o 32.80601 9.637362 69.53012       32.98196 21.64000       51.55941 102.7000       42.90984 24.58660 10.87332 38.76573 10.87126 -14.17913      15.37574 
1 1 1 -13 25 48 o 43.19951 8.451422 112.5584       34.45626 87.02000       55.05763 129.0000       44.17661 33.48666 12.50447 44.16656 10.39301 -10.67989      16.25966 
1 1 1 -13 25 49 o 45.88786 7.987426 125.2349       34.57402 139.4000       55.03540 116.0000       44.43729 42.68330 12.42428 40.80795 10.91327 1.875343       16.53669 
1 1 1 -13 25 50 o 37.06161 9.134743 88.47137       32.92241 82.51000       50.10674 93.00000       43.67230 32.33660 11.95666 35.44391 11.22727 -3.107311      16.40163 
1 1 1 -13 26 1  o 47.55666 5.242936 113.6573       24.00120 23.78000       55.29228 134.5242       26.64210 29.62531 12.08330 51.76217 5.334668 -22.13686      13.20851 
1 1 1 -13 26 2  o 120.1459 4.887510 716.9485       57.35818 716.6000       88.59982 717.2000       75.25706 118.8679 7.655570 119.5205 6.456751 -0.6526108     10.01486 
1 1 1 -13 26 3  o 66.01930 3.367058 215.2080       21.68658 140.7000       59.45391 226.6429       23.29134 50.65081 12.14846 67.72665 3.525547 -17.07584      12.64968 
1 1 1 -13 26 4  o 75.12990 3.259276 278.4153       23.91144 194.3000       62.51750 292.8289       25.87915 60.21579 11.01250 77.01965 3.441442 -16.80385      11.53771 
1 1 1 -13 26 5  o 56.95861 3.959892 160.9498       21.93998 134.1000       57.15915 165.5892       23.76000 49.46569 11.94198 57.72239 4.234764 -8.256699      12.67060 
1 1 1 -13 26 6  o 96.25116 3.695693 457.6465       34.75365 335.4000       71.02556 496.1293       39.85013 80.39836 9.190205 100.1233 4.074710 -19.72493      10.05302 
1 1 1 -13 26 7  o 23.14018 7.947536 25.19390       21.73980 15.74000       54.58228 26.97643       23.70086 28.32269 11.82143 23.98746 8.295759 4.335238       14.44181 
1 1 1 -13 26 8  o 35.61385 4.540860 63.82290       15.46983 32.67000       55.98444 66.39822       16.09656 30.88892 12.31276 36.31620 4.633601 -5.427280      13.15577 
1 1 1 -13 26 9  o 37.03603 4.389918 68.85446       15.60516 108.5000       56.02450 65.51983       16.24819 44.25544 12.42598 36.04493 4.718444 8.210506       13.29167 
1 1 1 -13 26 10 o 117.5209 3.321746 681.3215       38.17262 506.0000       83.03239 728.3067       42.98438 98.97295 8.657959 121.4191 3.620787 -22.44613      9.384580 
1 1 1 -13 26 11 o 31.20390 4.947864 49.56764       14.60871 -29.48000      55.72092 55.40215       15.13825 23.47031 10.75132 33.05704 4.820294 -9.586737      11.78245 
1 1 1 -13 26 12 o 30.51317 4.945375 47.47512       14.26526 105.8000       55.73678 43.38673       14.75677 43.46639 12.45850 29.03771 5.390257 14.42869       13.57458 
1 1 1 -13 26 13 o 34.03996 5.060204 58.95844       16.34814 100.2000       54.79452 54.92860       17.12824 42.28635 12.42179 32.71007 5.547668 9.576275       13.60432 
1 1 1 -13 26 14 o 70.12003 4.171286 244.6430       28.50041 0.000000       0.000000 244.6430       28.50041 ?        ?        70.12003 4.171286 ?              ?        
1 1 1 -13 26 15 o 53.49060 4.007129 142.5598       20.82807 167.2807       34.91271 128.9000       25.95213 57.25304 6.335761 50.49879 5.330667 6.754246       8.279968 
1 1 1 -13 26 16 o 21.98578 6.756331 24.66872       15.94310 43.32581       31.58543 18.29000       18.46850 29.02045 9.578186 20.30895 7.296609 8.711504       12.04085 
1 1 1 -13 26 17 o 10.37434 4.968991 -19.67860      14.40444 -2.601194      30.90001 -24.42000      16.28174 19.59064 8.547920 10.75292 5.184283 8.837718       9.997186 
1 1 1 -13 26 18 o 75.57214 3.367642 282.8631       24.84858 291.7037       41.73487 278.0081       30.92790 75.94137 5.655140 74.65820 4.249758 1.283165       7.073970 
1 1 1 -13 26 19 o 20.14980 6.802290 19.61789       15.91574 31.20202       31.12589 15.51678       18.51998 25.96222 9.452588 19.46119 7.255255 6.501036       11.91596 
1 1 1 -13 26 20 o 22.63354 7.181533 26.13749       17.86210 4.723000       38.02174 32.20210       20.23391 22.56823 9.662116 24.84418 7.607061 -2.275942      12.29731 
1 1 1 -13 26 21 o 56.55672 4.126978 159.9672       22.68941 127.1701       36.14994 181.2854       29.14511 49.03744 7.791712 59.93151 5.014175 -10.89407      9.265676 
1 1 1 -13 26 22 o 47.42839 4.711083 113.6257       21.58202 87.41169       34.41165 130.6224       27.70901 39.93843 9.016810 50.53717 5.700869 -10.59874      10.66784 
1 1 1 -13 26 23 f 80.74466 3.599235 324.1833       28.37509 251.1146       42.16629 384.6562       38.36010 69.93323 6.224916 87.59336 4.489037 -17.66013      7.674700 
1 1 1 -13 26 24 o 141.9451 4.267931 1007.219       59.23116 936.2000       109.1966 1036.826       70.50462 132.8623 8.440191 143.4360 5.029512 -10.57368      9.825111 
1 1 1 -13 26 25 o 67.74710 3.940740 229.5421       26.01932 164.1551       40.38459 275.9484       34.02185 55.60249 7.620467 73.96484 4.723916 -18.36236      8.965874 
1 1 1 -13 26 26 o 39.59986 5.668021 81.34746       21.34426 47.91378       35.25999 100.6846       26.81550 29.71420 10.12377 43.79568 6.448092 -14.08149      12.00286 
1 1 1 -13 26 27 o 38.51227 7.287642 80.02627       26.46625 49.08987       34.02770 127.4000       42.10818 29.78612 9.945156 47.57714 9.375504 -17.79102      13.66771 
1 1 1 -13 26 28 o 51.88109 7.375575 144.6395       36.40113 144.6395       36.40113 0.000000       0.000000 51.88109 7.375575 ?        ?        ?              ?        
1 1 1 -13 26 29 o 29.76856 6.723272 48.19416       19.12600 13.97519       27.83365 78.80602       26.32580 20.98067 8.567163 37.96360 7.350121 -16.98293      11.28807 
1 1 1 -13 26 30 o 47.02303 5.222414 114.4996       23.63251 81.66000       54.20098 122.2082       26.26013 35.87995 12.53715 48.37643 5.652099 -12.49649      13.75233 
1 1 1 -13 26 31 o 53.49100 4.750555 146.7338       24.61475 90.77000       54.41345 161.1323       27.60019 37.33550 12.57749 55.88037 5.102221 -18.54487      13.57298 
1 1 1 -13 26 32 o 48.66959 5.771763 124.6046       26.96150 127.8000       55.12716 123.6000       30.91065 44.19582 12.29585 47.85828 6.788774 -3.662457      14.04548 
1 1 1 -13 26 33 o 41.22340 4.691230 87.72029       18.59302 91.34430       27.89892 84.82459       24.93845 40.69772 7.270253 39.52508 6.684046 1.172634       9.875883 
1 1 1 -13 26 34 o 11.66425 5.496025 -15.58207      16.24466 -2.960000      23.35866 -27.40447      22.60662 16.44784 7.294053 12.95865 6.211632 3.489190       9.580584 
1 1 1 -13 26 35 o 17.18893 6.618025 12.02711       15.70793 29.97604       21.52662 -8.414001      22.97254 23.44528 7.910972 15.42472 7.002897 8.020555       10.56523 
1 1 1 -13 26 36 o 10.54003 5.031897 -17.42061      14.51447 -17.59119      19.06080 -17.18519      22.39248 12.60921 5.944989 13.98977 6.547556 -1.380563      8.843833 
1 1 1 -13 26 37 f 20.05765 8.629550 7.816606       30.60899 16.86000       48.06486 1.647000       39.70001 24.48928 10.67353 21.17964 9.443691 3.309635       14.25158 
1 1 1 -13 26 38 o 23.16257 9.159770 25.59624       30.74920 51.17000       48.01848 7.820000       40.03420 29.10745 11.46640 21.89016 9.635124 7.217289       14.97711 
1 1 1 -13 26 39 f 17.67488 8.040675 -7.326210      30.47560 13.22000       48.43641 -20.79000      39.20936 23.72783 10.51394 18.42616 8.636821 5.301672       13.60653 
1 1 1 -13 26 40 o 31.06006 9.676949 61.02463       32.57614 86.25000       51.54633 44.25000       42.03446 34.56636 12.21439 27.32620 10.73928 7.240160       16.26417 
1 1 1 -13 26 41 o 17.30112 7.962426 -11.30286      31.05480 75.91000       49.46797 -68.03000      39.89599 32.84908 11.92296 15.08709 7.448970 17.76199       14.05859 
1 1 1 -13 26 42 o 17.56007 8.021710 -8.020034      30.73699 8.626000       49.50900 -18.46000      39.20833 23.16014 10.41935 18.52445 8.667977 4.635689       13.55348 
1 1 1 -13 26 43 o 43.59333 12.47506 139.1000       55.92791 139.1000       55.92791 0.000000       0.000000 43.59333 12.47506 ?        ?        ?              ?        
1 1 1 -13 26 44 o 18.82533 8.341339 2.254728       30.48434 -39.61000      48.38038 29.82000       39.25783 18.75076 9.013816 24.50534 10.10863 -5.754580      13.54376 
1 1 1 -13 26 45 o 20.35849 9.227405 -0.9724000     39.68266 0.000000       0.000000 -0.9724000     39.68266 ?        ?        20.35849 9.227405 ?              ?        
1 1 1 -13 26 46 o 28.89702 9.665175 53.69312       32.13665 31.23000       50.03214 69.47000       41.92997 25.51725 11.00614 31.60698 11.02816 -6.089725      15.58060 
1 1 1 -13 26 47 o 28.55016 9.710462 52.73334       32.43775 52.90000       52.43248 52.63000       41.28723 28.36170 11.68915 28.23052 10.76439 0.1311798      15.89051 
1 1 1 -13 26 48 o 31.91352 9.641948 67.30619       32.65363 120.4000       53.11104 35.04000       41.40347 39.39224 12.36849 25.01525 10.35601 14.37700       16.13153 
1 1 1 -13 26 49 o 24.97337 9.425797 38.82708       31.46330 56.91000       48.63261 25.81000       41.26200 28.22277 11.39767 23.38624 10.03986 4.836529       15.18900 
1 1 1 -13 26 50 o 18.64203 8.283232 4.910228       30.27087 -13.05000      47.66536 17.05000       39.18792 19.93916 9.400993 21.76933 9.558999 -1.830179      13.40720 
1 1 1 -13 27 1  o 100.3617 4.351430 500.0197       42.64547 0.000000       0.000000 500.0197       42.64547 ?        ?        100.3617 4.351430 ?              ?        
1 1 1 -13 27 2  o 95.22588 3.910456 449.0228       36.37170 501.6000       76.05837 433.4345       41.41399 98.92614 7.920831 93.36477 4.545325 5.561371       9.132335 
1 1 1 -13 27 3  o 94.39392 3.930166 441.3079       36.23348 373.7000       72.85321 463.5272       41.76527 84.77423 8.912842 96.59190 4.429205 -11.81767      9.952719 
1 1 1 -13 27 4  o 62.68142 3.377046 194.3174       20.64313 204.2000       63.50693 193.1498       21.82851 61.42959 10.96406 62.45078 3.585995 -1.021191      11.53560 
1 1 1 -13 27 5  o 45.41680 3.911656 102.7394       17.22008 140.1000       58.99308 99.25952       18.00419 50.12130 12.15199 44.58116 4.174423 5.540142       12.84900 
1 1 1 -13 27 6  o 83.99015 3.688603 349.1910       30.25075 307.9000       69.33140 358.9002       33.61974 76.48647 9.462190 85.05407 4.049883 -8.567604      10.29245 
1 1 1 -13 27 7  o 46.09918 4.406960 106.3759       19.64381 145.6000       58.45339 101.3821       20.85683 51.11551 11.90541 44.89526 4.821620 6.220257       12.84471 
1 1 1 -13 27 8  o 53.79522 4.158362 144.2561       21.72651 17.08000       58.34594 164.7295       23.41010 28.91071 12.15482 57.49919 4.188161 -28.58848      12.85614 
1 1 1 -13 27 9  o 58.37551 3.407943 168.7925       19.38815 153.6000       59.96141 170.5664       20.48878 52.39684 11.95604 58.64508 3.586411 -6.248238      12.48236 
1 1 1 -13 27 10 o 32.72004 4.864202 54.43873       15.10553 74.55000       55.58530 52.83508       15.69623 37.30129 12.71100 32.15123 5.162276 5.150066       13.71928 
1 1 1 -13 27 11 o 67.75532 3.356728 227.2032       22.19277 152.0000       61.89498 238.2978       23.77351 51.80539 12.37603 69.35744 3.513265 -17.55205      12.86503 
1 1 1 -13 27 12 o 57.13780 3.476955 161.9190       19.35388 59.06000       58.84010 174.3974       20.49425 34.77946 12.93869 59.29050 3.547573 -24.51104      13.41622 
1 1 1 -13 27 13 o 16.30731 6.001204 10.87346       12.59721 -92.03000      53.81678 16.83853       12.95718 18.37075 8.985195 18.61051 6.134384 -0.2397594     10.87954 
1 1 1 -13 27 14 o 48.70103 3.785346 118.1871       17.90311 51.01000       57.46424 125.4086       18.84083 33.22736 12.69211 50.15600 3.867551 -16.92864      13.26829 
1 1 1 -13 27 15 o 75.69554 3.741431 284.5867       27.63544 177.9000       64.96498 308.1577       30.53605 55.85714 12.22254 78.70146 3.976799 -22.84432      12.85322 
1 1 1 -13 27 16 o 37.60286 5.296684 72.25453       18.95588 0.000000       0.000000 72.25453       18.95588 ?        ?        37.60286 5.296684 ?              ?        
1 1 1 -13 27 17 o 35.29891 5.152522 63.72358       17.27810 87.90000       54.40811 61.01200       18.22130 39.23869 12.54329 34.39370 5.605321 4.844982       13.73876 
1 1 1 -13 27 18 o 60.35937 3.711878 181.3611       21.82423 0.000000       0.000000 181.3611       21.82423 ?        ?        60.35937 3.711878 ?              ?        
1 1 1 -13 27 19 o 27.25118 6.320630 39.21574       16.53215 0.000000       0.000000 39.21574       16.53215 ?        ?        27.25118 6.320630 ?              ?        
1 1 1 -13 27 20 o 63.01845 3.651121 197.7175       22.42521 271.4000       65.21716 187.8374       23.88143 70.60268 9.692568 61.31366 4.001066 9.289013       10.48591 
1 1 1 -13 27 21 o 55.12327 3.964699 152.0229       21.24911 205.6000       63.55255 145.2795       22.54673 60.15927 11.20473 53.77089 4.320137 6.388386       12.00873 
1 1 1 -13 27 22 o 50.55015 4.281642 128.5286       20.98643 187.7000       63.67959 121.3188       22.22824 56.83774 11.83136 48.96829 4.694943 7.869453       12.72885 
1 1 1 -13 27 23 o 70.30681 4.370967 248.3833       29.93146 313.9000       67.88895 232.5752       33.34751 75.79797 9.348146 67.72160 5.067462 8.076370       10.63330 
1 1 1 -13 27 24 o 70.94791 4.389363 253.4491       30.33301 212.2000       64.82893 265.0107       34.32170 60.34035 11.39379 72.31924 4.877036 -11.97889      12.39371 
1 1 1 -13 27 25 o 34.97453 7.262976 66.23411       24.05008 50.40000       55.36226 69.91731       26.70114 31.58061 12.35042 35.69849 7.855009 -4.117880      14.63674 
1 1 1 -13 27 26 o 71.19221 5.961872 262.8148       41.16405 178.4000       62.01549 329.3000       55.03685 54.08488 12.02555 78.74393 7.220840 -24.65905      14.02691 
1 1 1 -13 27 27 o 83.17440 5.485530 356.3955       44.41024 275.6000       65.93127 423.5000       60.08604 69.24901 10.01754 89.40858 6.919568 -20.15958      12.17504 
1 1 1 -13 27 28 o 40.33702 8.795351 92.80240       33.74551 76.04000       53.76214 103.7000       43.34849 34.90009 12.45975 41.40799 10.63881 -6.507893      16.38383 
1 1 1 -13 27 29 o 42.51176 5.650834 94.83083       22.93225 76.26000       52.36585 99.23737       25.50828 34.78689 12.30937 43.21419 6.208447 -8.427299      13.78642 
1 1 1 -13 27 30 o 43.74360 5.392860 99.96046       22.60254 44.05000       51.53901 113.2742       25.15010 29.25987 11.76256 46.46458 5.645534 -17.20471      13.04722 
1 1 1 -13 27 31 o 14.69551 6.647691 -7.584146      20.47601 -12.87000      48.24813 -6.423000      22.61343 21.73109 9.973125 15.66980 7.046334 6.061283       12.21123 
1 1 1 -13 27 32 o 30.86573 6.098495 51.49667       17.77126 42.95000       49.85143 52.74091       19.02090 28.70551 11.55836 31.07902 6.463470 -2.373508      13.24281 
1 1 1 -13 27 33 o 28.43851 6.944867 45.05373       19.16219 0.000000       0.000000 45.05373       19.16219 ?        ?        28.43851 6.944867 ?              ?        
1 1 1 -13 27 34 o 17.88082 8.136784 -9.168826      31.23760 -37.32000      48.23950 11.16000       40.99310 19.40168 9.237607 22.74695 9.886312 -3.345268      13.53043 
1 1 1 -13 27 35 f 29.03413 9.551780 50.71304       31.42054 25.18000       46.85978 71.57000       42.35206 25.41829 10.79938 33.25414 11.09496 -7.835852      15.48305 
1 1 1 -13 27 36 o 26.46175 9.411872 40.38898       30.64915 36.25000       46.83119 43.49000       40.53603 26.88507 11.06040 27.59238 10.62932 -0.7073040     15.33998 
1 1 1 -13 27 37 o 16.14703 7.541000 -18.12775      29.44117 4.609000       45.22523 -34.85000      38.78502 22.36851 10.01906 17.15587 8.199965 5.212641       12.94686 
1 1 1 -13 27 38 o 26.16323 9.495323 40.31174       31.37339 67.00000       49.19758 22.02000       40.72968 31.38461 11.79939 23.73308 10.07523 7.651531       15.51566 
1 1 1 -13 27 39 o 26.05172 9.574012 40.14779       32.04357 41.88000       50.62611 38.99000       41.38947 27.36542 11.40055 26.33039 10.55608 1.035034       15.53716 
1 1 1 -13 27 40 o 26.53836 9.646280 42.23063       32.39577 35.60000       51.29568 46.63000       41.78290 26.60185 11.30048 27.68312 10.75696 -1.081266      15.60170 
1 1 1 -13 27 41 o 19.01847 8.389724 3.436813       30.51186 -22.80000      48.94841 20.11000       39.02046 20.13495 9.503468 23.02128 9.820305 -2.886335      13.66581 
1 1 1 -13 27 42 o 33.37400 12.39946 82.98000       54.00416 82.98000       54.00416 0.000000       0.000000 33.37400 12.39946 ?        ?        ?              ?        
1 1 1 -13 27 43 o 33.64853 9.445601 71.98244       32.37642 63.15000       51.40470 77.79000       41.68299 30.22395 11.87670 33.58160 10.99914 -3.357645      16.18756 
1 1 1 -13 27 44 o 22.14899 9.676022 13.87000       39.69896 0.000000       0.000000 13.87000       39.69896 ?        ?        22.14899 9.676022 ?              ?        
1 1 1 -13 27 45 o 37.84034 9.056182 89.41827       33.09541 111.1000       52.27020 74.91000       42.75777 38.32613 12.29876 32.57763 11.14716 5.748508       16.59875 
1 1 1 -13 27 46 o 39.52370 9.034975 97.55695       34.18938 66.61000       54.12778 118.1000       44.10053 30.25600 12.09139 41.64929 10.74618 -11.39329      16.17659 
1 1 1 -13 27 47 o 21.31760 8.899412 19.36145       30.94308 39.50000       50.49682 7.253000       39.15562 26.15522 11.16474 20.88500 9.340905 5.270214       14.55692 
1 1 1 -13 27 48 o 32.27341 9.489474 69.44442       31.96524 90.92000       49.22911 53.79000       42.03083 33.89881 11.94035 27.78955 10.79147 6.109257       16.09434 
1 1 1 -13 27 49 o 24.65729 9.395011 38.30735       31.43612 10.20000       48.76028 58.30000       41.12363 22.17147 10.11879 28.37825 10.76134 -6.206778      14.77147 
1 1 1 -13 28 1  o 63.71955 3.454368 201.1318       21.46449 234.8000       63.76134 196.8287       22.79493 66.06090 10.18783 62.97297 3.714593 3.087925       10.84390 
1 1 1 -13 28 2  f 90.13211 3.210090 401.2879       28.27541 355.4000       71.66573 409.7481       30.77172 82.22269 9.054288 91.01077 3.460547 -8.788071      9.693066 
1 1 1 -13 28 3  o 58.34500 4.735598 170.5838       26.81255 128.6000       61.74297 180.3413       29.76569 47.37347 12.94812 59.88284 5.127470 -12.50936      13.92640 
1 1 1 -13 28 4  o 81.32094 4.051744 328.6275       32.14997 263.0000       67.56955 347.8329       36.55273 69.96356 10.16383 83.52759 4.487256 -13.56403      11.11030 
1 1 1 -13 28 5  o 45.09340 4.079205 101.6260       17.81053 14.05000       57.82607 110.8046       18.72062 28.31154 12.01136 47.09567 4.101882 -18.78413      12.69245 
1 1 1 -13 28 6  o 43.19754 4.104219 93.36549       17.14562 38.98000       56.22087 98.94235       18.00326 31.37086 12.39191 44.46069 4.186100 -13.08984      13.07987 
1 1 1 -13 28 7  o 71.14822 3.275070 250.4439       22.74701 199.0000       61.99337 258.4477       24.45258 60.19386 10.92391 72.23149 3.468670 -12.03763      11.46140 
1 1 1 -13 28 8  o 36.79366 5.126394 68.91478       17.96188 77.48000       56.87221 67.96576       18.93083 37.69134 12.85703 36.43823 5.476984 1.253113       13.97500 
1 1 1 -13 28 9  o 70.66848 3.818851 248.1332       26.31772 203.1000       62.78193 257.7335       28.98756 60.71732 10.96721 71.93468 4.134283 -11.21737      11.72058 
1 1 1 -13 28 10 o 75.82553 3.265142 284.5178       24.17713 204.0000       63.48694 298.1755       26.14736 60.70399 11.09332 77.57760 3.452028 -16.87361      11.61801 
1 1 1 -13 28 11 o 53.44103 3.666320 142.0951       19.06216 22.51000       56.87793 157.2264       20.23224 28.99723 12.08247 56.21910 3.697183 -27.22188      12.63547 
1 1 1 -13 28 12 o 61.90682 3.443447 190.1723       20.78373 66.01000       58.81600 207.8886       22.21709 35.59003 12.98838 64.71475 3.520596 -29.12473      13.45706 
1 1 1 -13 28 13 o 15.15047 5.999522 6.742579       13.20826 -2.297000      54.05809 7.316498       13.62110 25.40725 11.18922 15.48628 6.105028 9.920965       12.74638 
1 1 1 -13 28 14 o 15.03007 6.102148 5.214418       14.02433 16.72000       55.00975 4.414621       14.50358 27.78421 11.74812 15.01130 6.163185 12.77291       13.26662 
1 1 1 -13 28 15 o 15.93909 6.183420 8.644039       13.78897 23.61000       53.34241 7.572375       14.27413 28.35256 11.74770 15.79638 6.242694 12.55618       13.30337 
1 1 1 -13 28 16 o 12.78061 5.612151 -2.769092      13.50860 4.363000       53.26337 -3.259382      13.96520 25.87673 11.25765 12.90114 5.684151 12.97558       12.61127 
1 1 1 -13 28 17 o 35.50819 5.128542 64.58454       17.30910 0.000000       0.000000 64.58454       17.30910 ?        ?        35.50819 5.128542 ?              ?        
1 1 1 -13 28 18 o 55.31514 3.909009 152.9653       21.02861 0.000000       0.000000 152.9653       21.02861 ?        ?        55.31514 3.909009 ?              ?        
1 1 1 -13 28 19 o 37.71116 5.491228 73.29936       19.67474 128.4000       58.58276 66.29435       20.88797 46.35588 12.58870 35.58072 6.224124 10.77516       14.04332 
1 1 1 -13 28 20 o 44.25428 4.792800 99.46191       20.43015 24.48000       58.52914 109.8655       21.80145 28.92811 12.16871 46.51134 4.860391 -17.58323      13.10347 
1 1 1 -13 28 21 o 70.91778 3.599211 250.7062       24.90269 222.4000       65.49380 255.4902       26.92496 62.21289 11.16535 71.49511 3.861779 -9.282215      11.81433 
1 1 1 -13 28 22 o 20.05349 7.271547 18.37899       18.39368 110.4000       56.40865 7.430493       19.45716 42.37205 12.64360 17.46296 7.150619 24.90909       14.52556 
1 1 1 -13 28 23 f 70.16054 3.877867 246.7341       26.52770 173.9000       65.12965 261.2204       29.04624 53.04160 12.71077 72.08176 4.134127 -19.04015      13.36618 
1 1 1 -13 28 24 o 32.56826 6.892579 57.39609       21.28648 58.35000       55.22791 57.22966       23.06884 32.52040 12.43760 32.29793 7.449003 0.2224731      14.49764 
1 1 1 -13 28 25 f 70.79302 4.415926 253.9080       30.44741 230.6000       62.70343 261.0993       34.82915 62.75350 10.58431 71.44630 5.012112 -8.692806      11.71106 
1 1 1 -13 28 26 o 69.62002 4.707082 247.3107       31.88830 129.5000       60.00939 293.6673       37.64283 44.30204 12.99554 75.61531 5.116002 -31.31327      13.96630 
1 1 1 -13 28 27 o 72.34836 4.520593 266.4164       31.85332 211.4000       61.99979 286.1459       37.12806 59.06678 11.13181 74.59185 5.116141 -15.52507      12.25121 
1 1 1 -13 28 28 o 17.97081 7.035695 12.24411       17.98297 3.510000       50.30977 13.52350       19.25507 23.89698 10.64469 18.64173 7.285578 5.255251       12.89919 
1 1 1 -13 28 29 o 33.55247 7.664463 63.32695       24.61853 61.00000       53.56870 63.95000       27.71914 31.83793 12.23097 33.28907 8.483477 -1.451139      14.88509 
1 1 1 -13 28 30 o 33.01882 6.801188 59.97170       21.24918 -6.517000      53.23885 72.57070       23.17516 23.20359 10.58349 36.43452 6.746766 -13.23093      12.55106 
1 1 1 -13 28 31 o 22.11333 7.183594 26.38395       17.79792 -22.99000      52.33696 32.84038       18.92586 21.51683 10.05065 24.30719 7.339797 -2.790354      12.44540 
1 1 1 -13 28 32 o 38.56609 11.54786 97.55000       46.99289 0.000000       0.000000 97.55000       46.99289 ?        ?        38.56609 11.54786 ?              ?        
1 1 1 -13 28 33 o 21.84468 9.132465 15.77181       32.65413 29.85000       49.02814 4.548000       43.77661 26.36662 11.11687 22.38308 9.952397 3.983541       14.92096 
1 1 1 -13 28 34 o 66.58968 5.992865 236.5390       38.64394 198.4000       57.08591 268.8000       52.50285 56.16869 10.77497 68.98936 7.918256 -12.82067      13.37157 
1 1 1 -13 28 35 o 29.67683 9.471667 53.86552       31.03326 84.61000       47.39401 30.79000       41.05969 35.22019 11.73649 25.35474 10.38542 9.865456       15.67170 
1 1 1 -13 28 36 o 20.02196 8.602051 9.206247       30.33298 15.98000       46.37899 4.143000       40.09786 23.78349 10.42256 21.30606 9.496069 2.477423       14.09983 
1 1 1 -13 28 37 o 14.05894 6.829531 -40.16082      29.63556 -45.48000      47.03945 -36.66000      38.16148 18.19101 8.780698 16.75324 8.041047 1.437765       11.90626 
1 1 1 -13 28 38 o 34.49615 9.409687 74.88781       32.64584 76.84000       51.42511 73.57000       42.25135 32.69017 12.10828 32.80334 11.08311 -0.1131744     16.41480 
1 1 1 -13 28 39 o 28.60590 9.649419 51.28901       32.02717 30.91000       50.47875 65.02000       41.43505 25.87682 11.10682 31.14017 10.95562 -5.263359      15.60086 
1 1 1 -13 28 40 o 25.74414 9.548951 39.41681       32.00368 85.02000       50.60242 9.015000       41.31649 34.01917 12.09417 21.84774 9.694098 12.17143       15.49982 
1 1 1 -13 28 41 o 16.39261 7.746808 -22.97808      32.71376 -3.422000      49.60470 -38.03000      43.51889 21.83704 10.05483 17.78786 8.550424 4.049181       13.19884 
1 1 1 -13 28 42 o 23.57922 9.987720 23.95000       39.87560 0.000000       0.000000 23.95000       39.87560 ?        ?        23.57922 9.987720 ?              ?        
1 1 1 -13 28 43 o 27.92307 9.634988 49.51098       31.96383 85.32000       51.18535 26.62000       40.92434 33.76788 12.14537 24.03845 10.14708 9.729429       15.82635 
1 1 1 -13 28 44 o 17.48231 7.978758 -6.473281      30.31709 -2.460000      48.40964 -9.063000      38.88734 21.56099 9.929620 19.17517 8.855456 2.385818       13.30475 
1 1 1 -13 28 45 o 22.01476 9.062324 22.30488       31.46453 -40.75000      51.37618 60.15000       39.80223 19.00801 9.175427 29.60655 10.70201 -10.59854      14.09686 
1 1 1 -13 28 46 o 36.07330 9.320704 84.19077       33.14482 64.99000       52.88705 96.61000       42.53410 29.60648 11.91069 36.76159 10.98139 -7.155106      16.20048 
1 1 1 -13 28 47 o 22.20088 9.048417 25.44581       30.97787 5.121000       47.64483 40.33000       40.77229 21.67743 9.934392 25.44447 10.37687 -3.767040      14.36564 
1 1 1 -13 28 48 o 26.52222 9.550092 46.97198       31.65789 59.86000       49.49704 38.05000       41.18288 28.23897 11.46425 24.89016 10.31849 3.348806       15.42402 
1 1 1 -13 29 1  o 46.04210 4.789698 106.9403       21.27072 216.5000       61.27849 91.93113       22.68097 63.00453 10.29137 42.41543 5.599662 20.58910       11.71617 
1 1 1 -13 29 2  o 31.47772 5.370499 51.02282       15.95394 77.99000       57.38003 48.76343       16.60883 37.62444 12.91210 30.65611 5.746041 6.968327       14.13292 
1 1 1 -13 29 3  o 24.02333 6.273520 30.30827       14.90942 51.27000       55.71926 28.69167       15.47366 32.96909 12.52072 23.40970 6.514923 9.559381       14.11427 
1 1 1 -13 29 4  o 35.19522 4.912711 63.05502       16.46380 27.39000       56.00988 66.42803       17.22475 29.47581 12.10777 36.11447 5.007185 -6.638662      13.10229 
1 1 1 -13 29 5  o 88.53713 4.019227 390.0740       34.74083 325.6000       69.22903 411.7754       40.16422 78.16730 9.225628 90.76913 4.534952 -12.60184      10.27998 
1 1 1 -13 29 6  o 44.92463 5.730086 103.2445       24.62445 141.4000       57.27481 94.59233       27.27384 49.72499 11.92204 42.61494 6.764227 7.110054       13.70729 
1 1 1 -13 29 7  o 44.07360 4.137756 97.39445       17.64170 42.67000       55.84423 103.4613       18.59390 31.56562 12.38644 45.41240 4.231728 -13.84678      13.08937 
1 1 1 -13 29 8  o 76.40990 3.304488 289.2173       24.65654 248.2000       64.87471 296.1426       26.65687 67.48264 10.13429 77.25451 3.534527 -9.771866      10.73297 
1 1 1 -13 29 9  o 26.19773 6.326289 36.21269       16.03776 28.06000       53.37186 37.02190       16.81486 29.01774 11.85790 26.45847 6.532362 2.559273       13.53815 
1 1 1 -13 29 10 o 20.81656 6.730382 21.74102       15.63387 -70.64000      53.56010 30.34517       16.34571 19.44106 9.380486 24.00728 6.701460 -4.566216      11.52836 
1 1 1 -13 29 11 o 64.64558 3.430116 207.4922       21.62702 183.8000       61.79087 210.7998       23.08733 56.92127 11.48681 65.10267 3.637467 -8.181400      12.04898 
1 1 1 -13 29 12 o 52.73479 6.671162 144.1498       33.66610 96.25000       58.55723 167.8000       41.14629 40.59483 13.01648 56.49146 7.636570 -15.89663      15.09125 
1 1 1 -13 29 13 o 29.05794 5.892554 44.21056       16.18589 29.04000       53.58593 45.73365       16.97897 29.05174 11.87789 29.51434 6.079679 -0.4625988     13.34342 
1 1 1 -13 29 14 o 33.05197 4.975063 55.99112       15.59683 3.325000       54.91555 60.61216       16.26670 25.98582 11.36563 34.41508 4.972888 -8.429256      12.40593 
1 1 1 -13 29 15 o 51.43579 3.907565 132.3871       19.52612 49.27000       62.14364 141.4919       20.56781 32.80864 13.00664 53.16261 3.981453 -20.35397      13.60237 
1 1 1 -13 29 16 o 41.56717 4.626245 87.60092       18.50429 0.000000       0.000000 87.60092       18.50429 ?        ?        41.56717 4.626245 ?              ?        
1 1 1 -13 29 17 o 51.48573 3.950230 132.8320       19.75539 126.2000       59.22002 133.6625       20.95579 45.72387 12.75273 51.57370 4.187148 -5.849827      13.42253 
1 1 1 -13 29 18 o 20.01239 6.817833 19.56722       15.99149 -22.72000      55.45362 23.40282       16.70099 23.24781 10.67758 21.43077 6.958466 1.817043       12.74484 
1 1 1 -13 29 19 o 56.93518 4.311219 163.3344       23.84774 0.000000       0.000000 163.3344       23.84774 ?        ?        56.93518 4.311219 ?              ?        
1 1 1 -13 29 20 o 56.23941 4.168863 159.2803       22.78587 113.2000       64.47206 165.8576       24.35782 42.18837 13.66983 57.31408 4.374872 -15.12572      14.35283 
1 1 1 -13 29 21 o 34.27070 6.975167 63.37972       22.60161 42.07000       55.93612 67.53772       24.70845 30.28173 12.22558 35.21734 7.403154 -4.935616      14.29236 
1 1 1 -13 29 22 o 44.37310 5.146693 101.4647       21.93982 152.1000       58.41928 93.15020       23.67268 49.57985 12.13722 42.16880 5.896168 7.411057       13.49359 
1 1 1 -13 29 23 o 43.74053 8.518738 107.2873       35.16048 91.59000       56.69126 117.1000       44.82264 37.82295 12.83764 44.35339 10.49002 -6.530441      16.57846 
1 1 1 -13 29 24 o 72.44917 3.818412 264.1288       26.98275 236.0000       62.21375 270.6458       29.94582 63.30525 10.40106 73.13050 4.201099 -9.825249      11.21745 
1 1 1 -13 29 25 o 54.77625 4.469028 153.0051       23.75331 69.40000       55.01859 172.1586       26.33400 33.58878 12.50842 58.01408 4.677038 -24.42530      13.35423 
1 1 1 -13 29 26 o 18.88000 7.909651 8.193396       24.57283 -15.10000      50.00959 15.60727       28.21366 21.95525 10.10436 21.20987 8.638742 0.7453766      13.29383 
1 1 1 -13 29 27 o 73.09879 3.621988 268.8604       25.83501 250.5000       62.15246 272.6954       28.40527 65.00202 10.09587 73.42046 3.967270 -8.418434      10.84739 
1 1 1 -13 29 28 o 42.81921 6.693195 99.44287       27.13518 116.8000       56.05233 94.13000       31.01127 41.52970 12.65051 40.78270 8.054384 0.7470016      14.99695 
1 1 1 -13 29 29 o 54.69281 4.624836 153.7809       24.52712 136.2000       57.77276 157.6464       27.08961 44.84990 12.62739 55.11277 5.078707 -10.26287      13.61045 
1 1 1 -13 29 30 o 83.51978 3.646766 351.6548       29.74099 0.000000       0.000000 351.6548       29.74099 ?        ?        83.51978 3.646766 ?              ?        
1 1 1 -13 29 31 o 20.14291 9.175733 -7.935000      39.85496 0.000000       0.000000 -7.935000      39.85496 ?        ?        20.14291 9.175733 ?              ?        
1 1 1 -13 29 32 o 27.62256 9.646046 45.10848       32.08261 93.61000       49.10366 8.982000       42.37883 37.06204 11.92303 22.57542 9.925834 14.48662       15.51389 
1 1 1 -13 29 33 o 22.04091 8.972884 19.86206       30.42086 7.959000       45.57099 29.43000       40.85718 22.92923 10.17709 25.16020 10.33872 -2.230978      14.50732 
1 1 1 -13 29 34 o 31.57026 9.467226 61.84878       31.56680 14.20000       47.16875 100.5000       42.48250 23.75002 10.45595 39.20541 10.75033 -15.45539      14.99655 
1 1 1 -13 29 35 o 31.40308 9.595822 62.24803       32.21769 56.37000       48.73811 66.81000       42.93670 29.52234 11.57546 31.52197 11.14691 -1.999636      16.07000 
1 1 1 -13 29 36 o 25.43155 9.420946 37.63882       31.13326 11.95000       48.17640 56.06000       40.79633 23.35738 10.40966 29.36618 10.80094 -6.008797      15.00071 
1 1 1 -13 29 37 o 24.97503 9.438328 35.65857       31.56981 -4.308000      49.20584 63.62000       41.15740 21.79828 10.02874 30.78343 10.91088 -8.985153      14.81968 
1 1 1 -13 29 38 o 25.73737 9.509137 39.15538       31.68181 -6.818000      49.76812 70.48000       41.08099 21.65803 10.00774 32.21457 10.92824 -10.55654      14.81827 
1 1 1 -13 29 39 o 20.38361 9.569594 -17.84000      48.46604 -17.84000      48.46604 0.000000       0.000000 20.38361 9.569594 ?        ?        ?              ?        
1 1 1 -13 29 40 o 13.87578 6.772401 -43.25313      30.10735 -24.41000      48.79107 -54.84000      38.26017 19.86480 9.409394 15.35021 7.522099 4.514584       12.04652 
1 1 1 -13 29 41 o 20.69985 9.273125 4.065000       38.75835 0.000000       0.000000 4.065000       38.75835 ?        ?        20.69985 9.273125 ?              ?        
1 1 1 -13 29 42 o 35.79227 9.106700 80.61971       31.97742 63.53000       49.64238 92.74000       41.80632 30.00177 11.70601 36.58103 10.87727 -6.579260      15.97954 
1 1 1 -13 29 43 o 16.62034 7.708516 -12.63239      29.93793 -35.72000      48.93395 1.179000       37.84770 18.91816 9.086760 20.06175 9.060078 -1.143589      12.83177 
1 1 1 -13 29 44 o 16.98582 7.856864 -10.96920      30.79018 34.51000       50.78083 -37.41000      38.71958 25.64003 11.07378 16.53979 7.979383 9.100243       13.64914 
1 1 1 -13 29 45 o 23.65293 9.286214 32.06036       31.40161 10.70000       49.99220 45.98000       40.35636 22.70452 10.31685 26.58873 10.50018 -3.884207      14.72044 
1 1 1 -13 29 46 o 13.74571 6.697290 -38.19006      29.08425 -3.340000      45.34922 -62.54000      37.90678 20.47458 9.493079 14.52346 7.187139 5.951113       11.90687 
1 1 1 -13 29 47 o 36.41528 9.184461 87.38914       32.72759 78.30000       50.04685 94.18000       43.25915 30.98163 11.84212 35.17940 11.17774 -4.197765      16.28428 
1 1 1 -13 30 1  o 53.45227 3.716015 142.4284       19.32134 184.8000       62.52743 137.9554       20.31558 56.97677 11.60618 52.53165 3.980581 4.445118       12.26982 
1 1 1 -13 30 2  o 76.24691 3.287395 288.1381       24.47703 315.2000       67.44093 284.0325       26.26820 76.66799 9.168310 75.61935 3.558863 1.048645       9.834806 
1 1 1 -13 30 3  o 39.88028 4.842075 80.75291       18.51468 114.7000       56.14923 76.61160       19.61153 44.26071 12.44419 38.68664 5.319678 5.574070       13.53354 
1 1 1 -13 30 4  o 51.88095 3.753273 134.2770       18.93121 130.7000       57.38597 134.7138       20.05385 47.31529 12.28406 51.90565 3.977389 -4.590363      12.91192 
1 1 1 -13 30 5  o 19.49728 6.519141 18.55754       14.62065 15.66000       53.48997 18.79149       15.19946 27.27882 11.56184 19.68702 6.647461 7.591801       13.33660 
1 1 1 -13 30 6  o 60.75350 4.579941 185.4988       27.03508 183.7000       59.85445 185.9598       30.30227 57.07310 11.11402 60.61966 5.155750 -3.546562      12.25166 
1 1 1 -13 30 7  o 32.59302 7.433759 56.92307       23.18891 39.13000       54.57117 60.84383       25.61670 30.64288 12.17542 33.56649 7.924622 -2.923615      14.52724 
1 1 1 -13 30 8  o 41.21805 4.432419 85.76609       17.60206 6.453000       56.73754 94.21268       18.51564 26.72776 11.62354 43.21851 4.439934 -16.49076      12.44266 
1 1 1 -13 30 9  o 24.32657 6.307909 31.29827       15.14438 31.09000       55.08896 31.31529       15.75126 29.48875 12.04837 24.32366 6.494027 5.165096       13.68706 
1 1 1 -13 30 10 o 28.09364 6.346804 41.79702       17.03992 35.83000       55.81873 42.41024       17.89409 30.19796 12.20524 28.24360 6.593181 1.954369       13.87220 
1 1 1 -13 30 11 o 17.09042 6.740888 9.378412       16.61388 33.56000       54.27182 6.878000       17.45170 29.60053 12.00908 16.72928 6.801512 12.87125       13.80140 
1 1 1 -13 30 12 o 52.79737 3.800133 139.3624       19.50753 134.7000       59.71749 139.9194       20.63981 47.40550 12.63931 52.83725 4.020991 -5.431747      13.26350 
1 1 1 -13 30 13 o 53.96124 3.805429 145.6066       19.97090 124.9000       59.62431 148.2232       21.19519 45.43079 12.84108 54.38301 4.009894 -8.952217      13.45261 
1 1 1 -13 30 14 o 70.99207 3.690747 251.3200       25.55857 0.000000       0.000000 251.3200       25.55857 ?        ?        70.99207 3.690747 ?              ?        
1 1 1 -13 30 15 o 33.38992 5.643260 58.08631       17.78730 0.000000       0.000000 58.08631       17.78730 ?        ?        33.38992 5.643260 ?              ?        
1 1 1 -13 30 16 o 49.53343 4.173015 123.6293       20.04474 10.96000       56.66939 139.7416       21.43011 26.72940 11.62048 52.67588 4.190820 -25.94649      12.35308 
1 1 1 -13 30 17 f 99.67307 3.409199 494.5452       33.21212 320.1000       71.36314 542.7752       37.52347 75.57236 9.883924 104.2805 3.681930 -28.70816      10.54744 
1 1 1 -13 30 18 o 16.42488 6.630236 7.542781       16.44913 11.93000       52.16575 7.058401       17.33341 25.83265 11.19035 16.60879 6.768746 9.223856       13.07822 
1 1 1 -13 30 19 o 39.47396 5.462342 81.00954       20.54053 117.2000       56.53306 75.50527       22.04729 43.05819 12.60880 37.78872 6.173516 5.269463       14.03903 
1 1 1 -13 30 20 o 57.86583 4.087772 169.0309       23.00440 146.8000       59.12220 172.9970       24.97233 48.23476 12.44104 58.40407 4.400643 -10.16931      13.19641 
1 1 1 -13 30 21 o 34.83769 9.165465 70.29609       31.66947 0.000000       0.000000 70.29609       31.66947 ?        ?        34.83769 9.165465 ?              ?        
1 1 1 -13 30 22 o 19.48813 7.507011 15.73584       20.21856 15.97000       53.25401 15.69640       21.85495 25.90929 11.26440 19.85930 7.761742 6.049994       13.67960 
1 1 1 -13 30 23 o 65.28114 4.680703 217.9064       29.71072 207.8000       60.24199 221.1548       34.15331 58.65722 10.89324 65.31911 5.389705 -6.661884      12.15367 
1 1 1 -13 30 24 o 41.39508 5.521116 89.98183       21.81350 108.9000       54.36773 86.35211       23.81436 40.52744 12.48060 40.16260 6.261899 0.3648453      13.96341 
1 1 1 -13 30 25 o 31.18033 8.177176 55.80014       25.26015 56.91000       52.54958 55.46663       28.80654 31.04758 12.06375 30.74580 8.999755 0.3017807      15.05090 
1 1 1 -13 30 26 o 37.12513 7.559686 77.21195       26.53663 51.35000       53.51091 85.64638       30.55901 30.16164 12.03277 38.65965 8.322157 -8.498013      14.63030 
1 1 1 -13 30 27 o 39.62264 8.498449 90.64532       31.97171 147.4000       54.40744 60.71000       39.51387 47.73862 11.72911 31.39990 10.71668 16.33872       15.88770 
1 1 1 -13 30 28 o 33.70889 6.914376 62.96998       22.04811 0.8493000      51.34351 77.01535       24.41373 23.42279 10.56757 37.35894 6.931404 -13.93615      12.63795 
1 1 1 -13 30 29 f 33.01075 6.320318 59.54625       19.67860 0.000000       0.000000 59.54625       19.67860 ?        ?        33.01075 6.320318 ?              ?        
1 1 1 -13 30 30 o 24.33840 9.376295 30.34820       31.54341 -6.558000      50.09764 54.59000       40.60225 22.27542 10.20038 29.75401 10.80149 -7.478592      14.85665 
1 1 1 -13 30 31 o 28.33243 9.536494 48.50916       31.28231 52.67000       48.33435 45.51000       41.03597 29.38851 11.52610 27.87436 10.70586 1.514153       15.73107 
1 1 1 -13 30 32 o 20.13412 8.582538 10.26553       29.76605 -31.55000      45.52542 41.49000       39.33986 19.01602 9.031096 26.95171 10.44742 -7.935688      13.80976 
1 1 1 -13 30 33 o 40.11411 8.614307 96.03151       32.81360 55.72000       48.92120 129.0000       44.24173 29.50683 11.58886 45.00731 10.26997 -15.50047      15.48464 
1 1 1 -13 30 34 o 38.00351 8.971063 88.33003       32.83189 58.10000       50.47532 110.5000       43.22572 29.70686 11.73945 40.89705 10.68298 -11.19019      15.87264 
1 1 1 -13 30 35 o 23.61038 9.226659 29.52334       30.87991 38.40000       47.55170 23.05000       40.60742 26.50709 11.04644 23.64053 10.04895 2.866560       14.93336 
1 1 1 -13 30 36 o 24.14511 9.329228 31.89269       31.29384 -17.56000      48.61177 66.89000       40.89439 20.49728 9.610545 31.44345 10.89583 -10.94616      14.52865 
1 1 1 -13 30 37 o 16.47613 7.665223 -14.81751      29.95620 -31.10000      47.83112 -4.309000      38.42561 19.20009 9.157488 19.71028 8.990604 -0.5101929     12.83318 
1 1 1 -13 30 38 o 23.80440 10.62040 15.54000       50.28846 15.54000       50.28846 0.000000       0.000000 23.80440 10.62040 ?        ?        ?              ?        
1 1 1 -13 30 39 o 19.29059 8.458266 5.915538       30.58193 12.90000       49.03048 1.468000       39.12546 23.29440 10.43305 20.44561 9.224587 2.848787       13.92629 
1 1 1 -13 30 40 o 23.35980 9.904541 23.59000       39.27916 0.000000       0.000000 23.59000       39.27916 ?        ?        23.35980 9.904541 ?              ?        
1 1 1 -13 30 41 o 28.37816 9.538678 51.93514       31.29717 26.87000       48.22018 70.18000       41.13998 24.63389 10.71425 31.61216 10.92979 -6.978273      15.30541 
1 1 1 -13 30 42 f 31.55651 9.578138 65.09041       32.17110 83.37000       51.82464 53.63000       41.03487 32.97513 12.16575 28.30554 10.74602 4.669596       16.23214 
1 1 1 -13 30 43 o 17.75859 8.073871 -3.965214      30.66983 -55.55000      50.62792 25.94000       38.54808 17.85675 8.729771 23.31913 9.846002 -5.462383      13.15875 
1 1 1 -13 30 44 o 21.69002 8.978066 22.16063       31.11204 35.93000       49.77221 13.33000       39.85893 25.39655 10.96591 21.58131 9.551496 3.815241       14.54243 
1 1 1 -13 30 45 o 31.40056 9.482127 66.65486       31.58583 51.57000       48.33207 77.90000       41.72987 27.09678 11.20067 32.19294 11.01245 -5.096151      15.70761 
1 1 1 -13 30 46 o 17.76512 8.104031 -2.379159      31.22938 81.63000       48.49297 -61.91000      40.82127 31.56817 11.74569 15.14088 7.486435 16.42729       13.92867 
1 1 1 -13 31 1  o 36.01435 4.897398 66.28278       16.81734 87.27000       57.00306 64.28191       17.60076 38.58501 12.87171 35.34986 5.245575 3.235142       13.89954 
1 1 1 -13 31 2  o 31.72506 5.425008 52.17691       16.24152 26.56000       55.96325 54.53298       16.97199 28.87290 12.00406 32.41053 5.549282 -3.537626      13.22467 
1 1 1 -13 31 3  o 25.21930 6.371616 33.78112       15.73166 55.23000       56.54224 31.98143       16.37836 33.06812 12.59991 24.53263 6.653768 8.535480       14.24887 
1 1 1 -13 31 4  o 37.54412 4.756143 71.80365       17.08683 15.95000       56.49230 77.42789       17.92649 27.59739 11.79542 38.99421 4.797678 -11.39682      12.73380 
1 1 1 -13 31 5  o 38.57402 4.599058 75.56644       17.02319 -13.94000      55.17595 84.98270       17.89623 24.09821 10.90568 40.95370 4.540596 -16.85549      11.81316 
1 1 1 -13 31 6  o 10.86409 5.085292 -12.70644      13.51454 9.966000       53.26075 -14.26668      13.97182 26.27521 11.34450 10.86454 5.112350 15.41067       12.44322 
1 1 1 -13 31 7  o 103.1773 4.034542 531.7458       40.66742 570.6000       82.37550 519.2244       46.76342 103.7233 8.179795 101.5790 4.716104 2.144348       9.441964 
1 1 1 -13 31 8  o 42.60791 6.370101 94.85614       25.75275 89.37000       59.74495 96.10807       28.54026 38.76384 13.17856 42.58392 7.096718 -3.820072      14.96790 
1 1 1 -13 31 9  o 16.08611 6.482767 6.962200       15.69703 -8.777000      54.64232 8.377877       16.38777 24.41860 10.96911 16.71199 6.661645 7.706606       12.83351 
1 1 1 -13 31 10 o 52.59257 4.295571 139.2966       21.92074 81.12000       58.80733 148.6845       23.62328 37.20126 13.05464 54.27848 4.486409 -17.07722      13.80403 
1 1 1 -13 31 11 o 21.92781 6.897867 24.96183       16.51135 -12.09000      54.91610 28.64418       17.31240 24.04761 10.88165 23.28161 7.017747 0.7660007      12.94833 
1 1 1 -13 31 12 f 69.04237 3.930798 238.7808       26.45480 224.4000       63.61930 241.7874       29.08903 62.56566 10.77724 69.31787 4.308540 -6.752213      11.60657 
1 1 1 -13 31 13 o 30.65214 5.942855 49.63986       17.18671 0.000000       0.000000 49.63986       17.18671 ?        ?        30.65214 5.942855 ?              ?        
1 1 1 -13 31 14 o 62.35098 3.680799 194.5623       22.36429 115.0000       59.74140 207.5293       24.11799 42.67491 13.07203 64.33696 3.847358 -21.66205      13.62645 
1 1 1 -13 31 15 o 43.45445 4.576636 96.22644       19.17450 69.51000       53.19266 100.2165       20.55652 34.37715 12.37910 44.26062 4.822807 -9.883469      13.28539 
1 1 1 -13 31 16 o 64.84709 3.707886 210.8380       23.43738 90.77000       57.67901 234.5835       25.65047 37.92393 12.94765 68.34941 3.849579 -30.42548      13.50781 
1 1 1 -13 31 17 o 70.83669 3.569695 251.2322       24.67138 105.7000       57.16748 284.5407       27.34936 40.50030 12.84736 75.32461 3.720921 -34.82431      13.37534 
1 1 1 -13 31 18 o 20.02451 6.966272 19.89390       16.72428 54.62000       49.91106 15.50171       17.75044 31.16658 11.84690 18.88607 7.090230 12.28051       13.80653 
1 1 1 -13 31 19 o 16.65772 6.981719 5.183350       19.15833 15.52000       48.24778 3.248441       20.87457 25.06074 10.80865 16.83032 7.181145 8.230412       12.97674 
1 1 1 -13 31 20 o 19.25496 7.345413 15.82254       19.23085 78.43000       51.14349 5.512846       20.75393 35.09810 12.18372 17.23066 7.247037 17.86745       14.17613 
1 1 1 -13 31 21 o 22.88305 7.717984 27.85268       20.48916 9.340000       48.72476 31.82941       22.58284 24.24706 10.65254 24.21845 8.102151 0.2860832E-01  13.38362 
1 1 1 -13 31 22 o 51.63896 4.584653 136.7851       22.93282 69.37000       52.24657 152.8731       25.52290 33.17912 12.21968 54.47315 4.836995 -21.29403      13.14219 
1 1 1 -13 31 23 o 23.62105 8.074496 30.11650       22.43333 0.000000       0.000000 30.11650       22.43333 ?        ?        23.62105 8.074496 ?              ?        
1 1 1 -13 31 24 o 35.33136 6.455119 67.88416       21.50158 40.17000       53.77153 73.15894       23.45869 28.52230 11.80431 36.51149 6.814565 -7.989187      13.63012 
1 1 1 -13 31 25 o 30.11608 9.486678 54.19637       31.22041 56.42000       51.82874 52.93000       39.11291 30.68531 11.96437 29.70933 10.62514 0.9759846      16.00124 
1 1 1 -13 31 26 o 53.58014 5.386535 150.5006       27.86717 145.9000       55.05791 152.0851       32.31165 47.02487 11.94131 53.21508 6.326952 -6.190212      13.51389 
1 1 1 -13 31 27 o 53.67905 4.967345 149.8678       25.80372 105.0000       55.69710 162.1299       29.11698 38.60311 12.71811 55.53895 5.425120 -16.93584      13.82687 
1 1 1 -13 31 28 o 83.27776 4.587227 356.8066       37.24815 0.000000       0.000000 356.8066       37.24815 ?        ?        83.27776 4.587227 ?              ?        
1 1 1 -13 31 29 o 58.03920 6.520469 183.2404       36.40307 125.5000       52.84086 235.4000       50.22232 42.63475 12.10143 64.10138 8.191203 -21.46663      14.61303 
1 1 1 -13 31 30 o 22.21123 9.011709 21.03683       30.56313 12.82000       46.85983 27.12000       40.31938 23.59682 10.40377 24.62325 10.20896 -1.026434      14.57605 
1 1 1 -13 31 31 o 19.33364 8.468684 4.589531       30.58903 -77.21000      47.48775 62.60000       39.99073 16.43640 8.117342 30.92654 10.77144 -14.49014      13.48759 
1 1 1 -13 31 32 o 17.51660 7.969937 -6.740902      29.95662 -14.83000      47.50596 -1.401000      38.59799 20.57681 9.599656 20.18769 9.130092 0.3891201      13.24809 
1 1 1 -13 31 33 o 27.43662 9.636206 46.76925       32.04619 50.93000       50.74976 44.01000       41.32793 28.46696 11.58926 27.03475 10.64138 1.432205       15.73372 
1 1 1 -13 31 34 o 18.86337 8.380894 1.872296       30.98253 36.63000       49.67999 -20.25000      39.63429 26.34499 11.15321 18.38291 8.637739 7.962084       14.10690 
1 1 1 -13 31 35 o 31.04288 9.522868 61.48598       31.69014 62.20000       50.42931 61.02000       40.73888 30.11012 11.78384 30.17270 10.83744 -0.6257629E-01 16.00965 
1 1 1 -13 31 36 o 25.51579 9.484680 38.99655       31.60603 13.48000       49.58361 56.46000       41.01967 23.43346 10.49380 29.09019 10.80677 -5.656733      15.06341 
1 1 1 -13 31 37 o 19.89010 9.433356 -24.58000      49.34111 -24.58000      49.34111 0.000000       0.000000 19.89010 9.433356 ?        ?        ?              ?        
1 1 1 -13 31 38 o 28.36018 9.563416 51.50560       31.45884 4.945000       48.69880 84.85000       41.21169 22.36287 10.16979 34.93729 10.88416 -12.57442      14.89596 
1 1 1 -13 31 39 o 45.84318 10.13286 136.8000       44.25763 0.000000       0.000000 136.8000       44.25763 ?        ?        45.84318 10.13286 ?              ?        
1 1 1 -13 31 40 o 20.56801 8.685014 15.47489       29.99673 17.59000       47.38054 14.06000       38.75205 23.36797 10.37421 21.77568 9.535312 1.592291       14.09065 
1 1 1 -13 31 41 o 19.88170 8.622806 10.11827       31.04929 75.59000       51.77564 -26.65000      38.80031 31.56723 12.05008 17.42879 8.294426 14.13843       14.62880 
1 1 1 -13 31 42 o 19.94751 8.633598 11.42776       30.99795 -63.06000      50.57017 56.26000       39.23260 17.37841 8.542602 28.53386 10.57461 -11.15545      13.59406 
1 1 1 -13 31 43 o 17.52440 7.972651 -3.390015      29.96720 -20.00000      46.96707 8.015000       38.91856 19.36767 9.190825 20.70407 9.282320 -1.336395      13.06265 
1 1 1 -13 31 44 o 41.87527 8.307308 108.9784       32.84805 114.7000       50.21882 104.7000       43.42627 37.66636 12.05177 37.44436 11.07397 0.2219925      16.36698 
1 1 1 -13 32 1  o 18.03009 6.728775 13.56269       15.93792 -4.390000      56.01550 15.14408       16.62506 25.00921 11.17986 18.69333 6.891604 6.315876       13.13330 
1 1 1 -13 32 2  o 31.88015 5.594397 53.07356       16.82101 61.22000       57.04477 52.29777       17.60374 33.66004 12.69460 31.53110 5.921120 2.128942       14.00759 
1 1 1 -13 32 3  o 83.15701 3.372078 343.9730       27.39056 334.5000       70.16798 345.6760       29.75089 77.96539 9.382938 83.24395 3.660194 -5.278557      10.07157 
1 1 1 -13 32 4  o 22.22719 6.674442 26.02025       15.68183 38.38000       56.04200 24.97026       16.33436 30.09429 12.20557 21.89427 6.857054 8.200012       13.99982 
1 1 1 -13 32 5  o 36.64865 4.970537 68.99268       17.37148 42.00000       58.33344 71.61942       18.19710 30.81829 12.46951 37.29923 5.119104 -6.480940      13.47939 
1 1 1 -13 32 6  o 28.52218 5.947456 43.09653       16.06574 101.7000       56.44339 37.93010       16.75896 40.61226 12.75047 26.58804 6.495894 14.02421       14.30983 
1 1 1 -13 32 7  o 44.41338 4.377588 99.96917       18.78357 54.20000       57.11936 105.5188       19.88978 32.33875 12.57402 45.59094 4.516316 -13.25220      13.36051 
1 1 1 -13 32 8  o 33.01809 9.725847 62.23468       33.55222 34.40000       55.42000 78.34000       42.15588 29.26442 12.03483 36.45405 10.94248 -7.189625      16.26577 
1 1 1 -13 32 9  o 30.66277 9.762597 52.98655       32.98501 44.96000       54.59809 57.60000       41.39288 30.60439 12.17247 31.88177 10.96588 -1.277372      16.38352 
1 1 1 -13 32 10 o 31.37060 5.684483 51.79194       16.81247 -2.320000      53.17433 57.80222       17.72158 24.37646 10.89513 33.19225 5.657234 -8.815786      12.27633 
1 1 1 -13 32 11 o 58.34937 4.090760 171.6338       23.21593 0.000000       0.000000 171.6338       23.21593 ?        ?        58.34937 4.090760 ?              ?        
1 1 1 -13 32 12 o 77.90763 4.340250 306.7170       32.96712 0.000000       0.000000 306.7170       32.96712 ?        ?        77.90763 4.340250 ?              ?        
1 1 1 -13 32 13 o 47.47030 4.677803 115.1703       21.45340 127.7000       54.89677 112.9118       23.30682 45.06918 12.16377 46.77956 5.176544 -1.710381      13.21945 
1 1 1 -13 32 14 o 17.47591 6.686706 12.20818       15.96746 -25.77000      49.97031 16.52691       16.85090 21.20714 9.877614 18.99424 6.948952 2.212894       12.07705 
1 1 1 -13 32 15 o 83.69405 3.452451 350.5610       28.22247 246.9000       63.06658 376.5182       31.55878 64.89106 10.27057 86.58192 3.732571 -21.69086      10.92779 
1 1 1 -13 32 16 o 17.38719 6.866556 10.75597       17.25862 -41.32000      48.19075 18.41783       18.48469 19.40704 9.238119 19.83080 7.274294 -0.4237671     11.75832 
1 1 1 -13 32 17 o 20.52734 7.176508 21.20205       17.76112 -5.216000      46.47611 25.72005       19.21996 22.22831 10.03906 22.12412 7.475106 0.1041851      12.51638 
1 1 1 -13 32 18 o 35.57175 9.233663 74.48633       32.42782 13.44000       46.72752 131.2000       45.03881 24.38361 10.57671 46.81499 10.12384 -22.43139      14.64100 
1 1 1 -13 32 19 o 22.65128 7.564732 27.45676       19.68758 28.13000       45.83899 27.30449       21.80074 26.15989 10.86910 22.80314 7.952283 3.356752       13.46760 
1 1 1 -13 32 20 o 54.83887 4.276218 153.4385       22.77246 142.0000       53.35133 155.9867       25.18165 47.03358 11.64972 55.05439 4.718349 -8.020809      12.56896 
1 1 1 -13 32 21 o 33.82575 6.728514 62.84747       21.49360 11.16000       49.30236 74.97615       23.88261 24.31516 10.69783 36.95089 6.855491 -12.63573      12.70595 
1 1 1 -13 32 22 o 21.07253 7.643053 22.21614       20.32293 32.69000       49.16733 20.05793       22.31877 26.93938 11.23002 20.82824 7.920941 6.111141       13.74244 
1 1 1 -13 32 23 o 11.94649 5.731126 -24.14921      19.33195 -40.84000      48.73811 -21.03294      21.05945 19.27588 9.207472 13.01663 6.170362 6.259250       11.08381 
1 1 1 -13 32 24 o 25.29428 8.078489 36.30059       22.57233 40.87000       50.58067 35.16429       25.22326 28.07113 11.51566 25.03707 8.561793 3.034067       14.34973 
1 1 1 -13 32 25 o 52.36491 6.375503 148.1785       32.00569 0.000000       0.000000 148.1785       32.00569 ?        ?        52.36491 6.375503 ?              ?        
1 1 1 -13 32 26 o 28.79624 9.175284 49.81518       29.13117 0.000000       0.000000 49.81518       29.13117 ?        ?        28.79624 9.175284 ?              ?        
1 1 1 -13 32 27 o 41.43265 8.235853 99.92000       32.22406 0.000000       0.000000 99.92000       32.22406 ?        ?        41.43265 8.235853 ?              ?        
1 1 1 -13 32 28 o 48.05809 4.191578 118.6979       19.52033 57.38000       50.98980 129.2278       21.13002 30.04660 11.82211 50.06474 4.355126 -20.01814      12.59878 
1 1 1 -13 32 29 o 38.94897 8.758122 91.25719       32.57697 100.3000       49.32317 84.26000       43.38715 37.65879 11.93188 35.19889 11.19547 2.459900       16.36179 
1 1 1 -13 32 30 o 18.84578 8.332417 2.515790       30.25989 67.67000       47.86175 -40.87000      39.05630 31.25501 11.66119 16.59618 8.008430 14.65883       14.14632 
1 1 1 -13 32 31 o 40.95745 8.612025 101.0025       33.42873 84.43000       52.92881 112.0000       43.11653 33.76833 12.32157 41.08893 10.63789 -7.320602      16.27838 
1 1 1 -13 32 32 o 20.36342 8.716617 12.12448       30.93442 22.60000       49.93367 5.600000       39.40748 24.55343 10.78562 21.03454 9.391909 3.518896       14.30166 
1 1 1 -13 32 33 o 24.50268 9.367683 33.96561       31.32152 65.40000       50.12554 13.83000       40.11796 30.56897 11.80827 22.22796 9.718378 8.341009       15.29321 
1 1 1 -13 32 34 o 19.31908 8.440339 6.684319       30.21148 -17.30000      49.31898 21.09000       38.22235 20.48322 9.628026 22.87199 9.736774 -2.388767      13.69320 
1 1 1 -13 32 35 o 15.14127 7.269126 -31.50920      31.22946 -22.42000      48.99245 -37.73000      40.53117 19.99831 9.459613 17.06099 8.213964 2.937325       12.52811 
1 1 1 -13 32 36 o 21.12564 9.028072 15.14111       33.08599 20.38000       50.27941 11.14000       43.94003 24.15373 10.70689 22.29566 9.938648 1.858070       14.60870 
1 1 1 -13 32 37 o 14.27394 6.899776 -34.55793      29.30081 -18.46000      46.83590 -44.91000      37.55844 19.84813 9.345984 15.76927 7.666805 4.078867       12.08831 
1 1 1 -13 32 38 o 25.74195 10.35077 39.43000       39.91953 0.000000       0.000000 39.43000       39.91953 ?        ?        25.74195 10.35077 ?              ?        
1 1 1 -13 32 39 o 26.92039 9.535901 46.44070       31.43376 30.02000       50.14502 57.07000       40.34448 25.01694 10.90280 28.83678 10.71654 -3.819839      15.28775 
1 1 1 -13 32 40 o 24.86761 9.425181 37.47038       31.53580 61.92000       51.53006 22.83000       39.87500 29.24873 11.76034 23.01868 9.875655 6.230055       15.35689 
1 1 1 -13 32 41 o 32.80047 9.462189 71.35709       32.05279 88.78000       52.02894 60.70000       40.69154 33.18573 12.19896 29.18677 10.77798 3.998953       16.27819 
1 1 1 -13 32 42 o 33.78942 9.331538 75.92625       31.88024 112.1000       49.78942 50.79000       41.50406 37.54375 11.99883 27.04377 10.65817 10.49998       16.04894 
1 1 1 -13 32 43 o 25.43111 9.379221 42.62699       30.79835 11.08000       46.60744 67.08000       41.03387 21.81880 9.932747 29.80852 10.85324 -7.989721      14.71232 
1 1 1 -13 33 1  f 28.02201 6.295819 42.20611       16.84622 49.19000       56.18954 41.51635       17.65854 31.11839 12.35779 27.69367 6.606935 3.424715       14.01308 
1 1 1 -13 33 2  o 33.65261 5.514095 59.31485       17.53499 20.69000       55.48525 63.60053       18.48222 27.23012 11.66530 34.83361 5.611212 -7.603489      12.94469 
1 1 1 -13 33 3  o 21.76907 6.811021 25.00266       16.11992 -11.31000      54.21833 28.52381       16.88340 23.55784 10.72002 23.06705 6.925150 0.4907875      12.76231 
1 1 1 -13 33 4  o 43.04861 4.558450 94.59941       18.91652 67.44000       57.33338 97.91714       20.03864 33.90024 12.73930 43.72536 4.758646 -9.825127      13.59906 
1 1 1 -13 33 5  o 15.45548 6.364848 5.275934       15.52939 -37.73000      53.69609 9.201360       16.22265 21.14864 9.973312 16.73618 6.642091 4.412458       11.98267 
1 1 1 -13 33 6  o 21.12958 6.779346 23.33777       15.88253 47.71000       53.62234 20.99398       16.62868 30.52363 12.08799 20.41369 6.952379 10.10994       13.94471 
1 1 1 -13 33 7  o 41.32662 5.087015 88.25056       20.14408 91.15000       55.80251 87.81611       21.60061 37.81189 12.73701 41.03799 5.517049 -3.226097      13.88054 
1 1 1 -13 33 8  o 71.67664 3.558178 257.3379       24.88581 177.8000       60.83225 273.3243       27.27228 53.61343 11.90229 73.76176 3.790030 -20.14834      12.49115 
1 1 1 -13 33 9  o 31.88557 8.417278 57.76051       26.65187 65.37000       53.03489 55.18953       30.82719 33.08720 12.28868 30.89186 9.375854 2.195335       15.45698 
1 1 1 -13 33 10 f 15.68678 7.369970 -23.62625      28.83814 0.000000       0.000000 -23.62625      28.83814 ?        ?        15.68678 7.369970 ?              ?        
1 1 1 -13 33 11 o 25.19779 6.965286 34.92854       17.75284 0.000000       0.000000 34.92854       17.75284 ?        ?        25.19779 6.965286 ?              ?        
1 1 1 -13 33 12 o 14.85423 6.356088 1.610810       16.43762 -25.27000      48.74612 5.059578       17.46027 20.80035 9.710622 16.02098 6.686409 4.779369       11.79001 
1 1 1 -13 33 13 o 55.21008 4.472918 155.7035       23.96533 64.39000       52.83504 179.3570       26.89073 32.49681 12.22561 59.16252 4.681683 -26.66571      13.09136 
1 1 1 -13 33 14 o 48.93468 4.358236 122.2802       20.65715 56.59000       50.53745 135.4570       22.63433 31.09542 11.89646 51.43118 4.542745 -20.33576      12.73430 
1 1 1 -13 33 15 o 25.95580 6.958595 37.34591       18.03921 8.032000       46.55229 42.52542       19.56811 23.62987 10.39579 27.61304 7.175353 -3.983166      12.63163 
1 1 1 -13 33 16 o 43.83623 8.257109 109.0693       34.13025 85.27000       49.89387 130.0000       46.79038 36.06739 12.04257 45.96859 10.61354 -9.901196      16.05212 
1 1 1 -13 33 17 f 54.57030 4.149535 151.6786       21.99853 102.2000       51.00072 162.9884       24.38347 39.18269 12.09176 56.41474 4.451723 -17.23205      12.88520 
1 1 1 -13 33 18 o 38.23975 5.831488 77.96708       21.13771 21.46000       47.88933 91.63963       23.55657 25.32904 10.84386 41.42664 5.982418 -16.09760      12.38462 
1 1 1 -13 33 19 o 45.82647 5.152578 109.6989       22.71251 77.26000       48.28906 118.9138       25.73707 34.30599 11.84235 47.43758 5.653965 -13.13159      13.12282 
1 1 1 -13 33 20 o 51.88572 4.732858 139.0986       23.77250 80.69000       49.54504 156.5673       27.09521 34.81690 11.99637 54.83809 5.106512 -20.02119      13.03799 
1 1 1 -13 33 21 o 32.60204 7.811261 60.93270       24.60022 34.63000       49.80385 69.42096       28.29254 27.12953 11.30535 34.45088 8.454292 -7.321352      14.11687 
1 1 1 -13 33 22 o 23.26121 8.244991 29.16272       23.50241 61.93000       50.24161 19.98383       26.59123 31.20683 11.88040 21.47897 8.510379 9.727856       14.61405 
1 1 1 -13 33 23 o 21.84796 8.096713 24.26502       23.00027 29.04000       50.21168 22.99706       25.87444 26.16669 11.15028 21.95233 8.482759 4.214367       14.01021 
1 1 1 -13 33 24 o 45.11501 5.105659 106.8902       22.15070 34.88000       52.25910 122.6609       24.45628 27.05594 11.44591 48.26096 5.262265 -21.20501      12.59763 
1 1 1 -13 33 25 o 27.63898 9.049099 45.89748       28.21444 0.000000       0.000000 45.89748       28.21444 ?        ?        27.63898 9.049099 ?              ?        
1 1 1 -13 33 26 o 28.38627 7.666694 46.84605       21.79916 -23.58000      49.11762 64.12063       24.32621 20.34599 9.577476 33.32197 7.623875 -12.97598      12.24138 
1 1 1 -13 33 27 f 44.22889 6.085575 106.3808       25.64830 0.000000       0.000000 106.3808       25.64830 ?        ?        44.22889 6.085575 ?              ?        
1 1 1 -13 33 28 o 18.68089 8.349169 -0.1525526     31.22339 -24.61000      44.77440 23.00000       43.56359 19.16427 9.058551 24.02011 10.31410 -4.855846      13.72727 
1 1 1 -13 33 29 o 29.56564 11.45397 58.66000       47.26451 58.66000       47.26451 0.000000       0.000000 29.56564 11.45397 ?        ?        ?              ?        
1 1 1 -13 33 30 o 16.59809 7.700616 -13.40837      29.91230 16.43000       47.52004 -32.99000      38.49583 23.51975 10.41827 16.96973 8.126701 6.550026       13.21301 
1 1 1 -13 33 31 o 20.91087 8.814161 15.66075       30.80715 19.36000       49.29498 13.29000       39.46291 24.08158 10.64176 22.00150 9.628579 2.080078       14.35119 
1 1 1 -13 33 32 o 22.47889 9.059110 24.64963       30.65273 -3.113000      49.09167 42.39000       39.24269 21.68530 9.991367 26.44507 10.38147 -4.759769      14.40842 
1 1 1 -13 33 33 o 23.21610 9.156221 28.70133       30.65039 23.44000       49.65492 31.94000       38.95808 24.44847 10.74695 24.56359 10.09478 -0.1151180     14.74455 
1 1 1 -13 33 34 o 19.21247 9.197904 -32.34000      49.23028 -32.34000      49.23028 0.000000       0.000000 19.21247 9.197904 ?        ?        ?              ?        
1 1 1 -13 33 35 o 23.79984 9.254471 31.74676       30.94275 40.04000       49.01032 26.25000       39.90056 26.37932 11.11813 23.69772 10.01212 2.681595       14.96180 
1 1 1 -13 33 36 o 17.84669 8.396487 -19.26000      37.66171 0.000000       0.000000 -19.26000      37.66171 ?        ?        17.84669 8.396487 ?              ?        
1 1 1 -13 33 37 o 24.25381 9.298254 34.58575       30.91589 25.53000       48.01248 41.00000       40.40774 24.25359 10.61717 25.89371 10.41314 -1.640121      14.87138 
1 1 1 -13 33 38 o 20.07909 8.618937 12.55110       30.40145 33.31000       48.98121 -0.4574000     38.77403 25.26672 10.89394 19.91245 9.062867 5.354271       14.17087 
1 1 1 -13 33 39 o 25.09122 9.377915 39.25295       30.98104 20.62000       50.68095 50.37000       39.14701 23.73554 10.62064 27.31147 10.46495 -3.575935      14.91017 
1 1 1 -13 33 40 o 14.07789 6.816646 -33.49651      28.90788 -8.356000      46.82450 -48.98000      36.74688 20.26866 9.480354 15.06820 7.381396 5.200460       12.01508 
1 1 1 -13 33 41 o 19.34963 8.435759 10.53155       30.04097 24.64000       46.91346 0.7255000      39.11154 23.39202 10.35714 19.70256 9.018680 3.689459       13.73342 
1 1 1 -13 33 42 o 23.61572 9.170857 34.40060       30.35530 66.97000       47.08734 11.24000       39.70765 29.16713 11.39488 20.90928 9.375010 8.257854       14.75582 
1 1 1 -13 34 1  o 28.16484 6.395265 43.19904       17.22692 21.68000       53.13330 45.72683       18.21063 26.45317 11.37525 28.92024 6.581553 -2.467068      13.14204 
1 1 1 -13 34 2  o 39.74806 4.969669 81.93314       18.91389 47.50000       53.19695 86.91577       20.23613 29.92542 11.97762 40.86043 5.175555 -10.93501      13.04798 
1 1 1 -13 34 3  o 34.20100 5.620134 61.90019       18.16152 33.57000       52.88875 65.68739       19.33738 27.92583 11.64472 35.16108 5.822190 -7.235247      13.01912 
1 1 1 -13 34 4  o 28.48231 6.349353 44.12947       17.24952 60.64000       52.31863 42.11584       18.27114 31.89886 12.12831 27.65258 6.798784 4.246281       13.90394 
1 1 1 -13 34 5  o 17.75005 6.970117 11.74004       17.69412 29.22000       51.68693 9.419597       18.83197 27.17426 11.43340 17.49134 7.082180 9.682917       13.44916 
1 1 1 -13 34 6  o 18.91832 7.029697 16.22195       17.35892 89.09000       51.66505 6.949159       18.43035 36.94964 12.25219 16.77310 6.923331 20.17654       14.07298 
1 1 1 -13 34 7  f 32.48126 5.762640 56.23513       17.65057 -20.37000      50.96133 66.67731       18.81514 21.62551 10.03932 35.50723 5.598859 -13.88172      11.49501 
1 1 1 -13 34 8  o 41.26262 5.177588 88.74162       20.45256 0.000000       0.000000 88.74162       20.45256 ?        ?        41.26262 5.177588 ?              ?        
1 1 1 -13 34 9  o 33.64758 6.245771 61.09512       19.81341 0.000000       0.000000 61.09512       19.81341 ?        ?        33.64758 6.245771 ?              ?        
1 1 1 -13 34 10 o 13.35426 6.434184 -32.55986      24.97991 -3.057000      46.87089 -44.26425      29.52199 22.40922 10.10476 13.92667 6.776924 8.482551       12.16688 
1 1 1 -13 34 11 o 17.10305 7.589921 -2.898592      25.33606 -4.451000      46.60775 -2.247431      30.18558 22.17591 10.03070 18.62659 8.274238 3.549326       13.00300 
1 1 1 -13 34 12 o 17.20094 6.774376 10.92617       16.75714 -3.817000      46.59980 13.11574       17.95841 22.19605 10.03579 18.12113 7.049165 4.074921       12.26408 
1 1 1 -13 34 13 f 16.92166 7.017013 7.065835       19.05274 95.31000       48.08920 -9.365131      20.75086 38.07004 11.74034 14.47584 6.604475 23.59420       13.47051 
1 1 1 -13 34 14 o 63.81157 6.398733 217.9964       39.42812 157.5000       56.20821 276.6000       55.32191 49.25816 11.81077 70.08598 8.220216 -20.82782      14.38979 
1 1 1 -13 34 15 o 27.53835 7.043520 42.50340       19.05963 11.33000       47.25853 48.55888       20.82871 23.89586 10.49487 29.34659 7.285000 -5.450731      12.77551 
1 1 1 -13 34 16 o 26.11731 7.266267 38.48584       19.25166 19.76000       45.66801 42.53279       21.23027 24.63787 10.56949 27.30452 7.643069 -2.666643      13.04341 
1 1 1 -13 34 17 o 16.04398 6.809688 3.967227       18.59986 -82.70000      44.61581 22.19821       20.46286 15.68446 7.768028 21.03882 7.663665 -5.354367      10.91210 
1 1 1 -13 34 18 o 63.60172 4.924851 209.7344       30.42102 154.3000       53.17273 236.7080       37.09102 48.95085 11.32282 66.95391 5.714173 -18.00306      12.68298 
1 1 1 -13 34 19 o 41.77566 5.556890 92.65863       22.15974 27.85000       47.36891 110.8155       25.07246 25.79824 10.90473 45.62037 5.741656 -19.82213      12.32395 
1 1 1 -13 34 20 o 17.41408 7.288244 7.442814       20.83194 23.23000       45.36337 3.223771       23.45092 24.80036 10.58409 17.36236 7.512054 7.438005       12.97898 
1 1 1 -13 34 21 o 37.49129 9.075743 84.89984       32.94487 45.78000       48.86503 117.5000       44.60766 28.30451 11.42695 42.76759 10.68684 -14.46309      15.64557 
1 1 1 -13 34 22 o 39.89253 5.813435 85.67478       22.03313 8.859000       49.13370 105.0099       24.65061 23.44709 10.47685 44.20835 5.839268 -20.76126      11.99422 
1 1 1 -13 34 23 o 48.11898 4.823298 120.9432       22.41187 89.88000       51.56849 128.1767       24.88489 35.48398 12.23835 49.27674 5.239493 -13.79277      13.31276 
1 1 1 -13 34 24 o 45.23951 7.213703 115.2456       30.87150 0.000000       0.000000 115.2456       30.87150 ?        ?        45.23951 7.213703 ?              ?        
1 1 1 -13 34 25 o 54.59307 5.260361 157.8178       27.76226 125.3000       54.52290 169.1996       32.25706 41.38448 12.44945 55.93773 5.984207 -14.55324      13.81302 
1 1 1 -13 34 26 o 21.82180 7.659616 26.30866       20.24577 20.98000       48.64529 27.42504       22.26580 24.29206 10.65897 22.28988 8.011276 2.002190       13.33395 
1 1 1 -13 34 27 o 39.09933 5.813014 83.22080       21.57145 72.22000       52.50552 85.45470       23.66052 31.56495 12.11335 39.24338 6.378414 -7.678431      13.69005 
1 1 1 -13 34 28 o 19.50607 8.482768 7.953721       30.21707 -46.30000      47.81824 44.02000       38.98787 18.06528 8.752094 26.71389 10.38797 -8.648609      13.58341 
1 1 1 -13 34 29 o 32.63244 11.05479 74.57000       42.03695 0.000000       0.000000 74.57000       42.03695 ?        ?        32.63244 11.05479 ?              ?        
1 1 1 -13 34 30 o 26.69208 9.706779 44.44166       32.80879 41.36000       51.54863 46.54000       42.53660 26.86961 11.36750 27.24527 10.77362 -0.3756618     15.66177 
1 1 1 -13 34 31 o 28.24314 11.58951 52.78000       51.25002 52.78000       51.25002 0.000000       0.000000 28.24314 11.58951 ?        ?        ?              ?        
1 1 1 -13 34 32 o 23.38488 9.254661 29.57957       31.41141 -25.94000      51.09997 63.30000       39.82393 19.98590 9.513448 30.26120 10.73200 -10.27529      14.34160 
1 1 1 -13 34 33 o 15.67807 7.798827 -84.18000      46.90752 -84.18000      46.90752 0.000000       0.000000 15.67807 7.798827 ?        ?        ?              ?        
1 1 1 -13 34 34 o 19.72378 8.498463 10.69090       29.77047 -11.75000      45.92143 26.96000       39.10004 20.17521 9.420852 23.64744 9.946591 -3.472231      13.69990 
1 1 1 -13 34 35 o 25.39883 10.31069 38.24000       40.03472 0.000000       0.000000 38.24000       40.03472 ?        ?        25.39883 10.31069 ?              ?        
1 1 1 -13 34 36 o 20.95358 8.787182 18.04442       30.37436 -14.47000      47.78412 40.09000       39.34653 20.13096 9.467007 25.60372 10.28279 -5.472757      13.97712 
1 1 1 -13 34 37 o 38.42093 9.095955 94.16086       33.67424 53.42000       53.86420 120.3000       43.14503 27.89368 11.69988 41.86182 10.53828 -13.96815      15.74619 
1 1 1 -13 34 38 o 13.69954 6.694802 -41.34798      29.69081 -56.70000      48.53973 -32.17000      37.53081 17.21880 8.444922 16.48254 7.927453 0.7362518      11.58280 
1 1 1 -13 34 39 o 22.78813 9.116993 29.47818       30.80755 54.98000       47.88691 11.47000       40.24075 27.51237 11.23613 21.15045 9.463828 6.361917       14.69063 
1 1 1 -13 34 40 o 15.75401 7.397941 -14.69406      28.99580 3.840000       44.93265 -27.92000      37.95683 20.77689 9.567741 16.70206 8.017262 4.074825       12.48271 
1 1 1 -13 34 41 o 17.81944 8.610803 -31.93000      45.54278 -31.93000      45.54278 0.000000       0.000000 17.81944 8.610803 ?        ?        ?              ?        
1 1 1 -13 35 1  f 16.20067 6.636909 7.081486       16.77197 2.011000       47.18591 7.814735       17.94374 22.92782 10.25437 16.76147 6.865538 6.166351       12.34049 
1 1 1 -13 35 2  o 55.09775 3.979976 154.1183       21.31982 143.0000       53.41454 156.2252       23.25231 47.13571 11.64582 55.29406 4.330699 -8.158348      12.42498 
1 1 1 -13 35 3  o 19.45133 6.921318 18.69389       16.57625 -31.19000      47.64453 25.56363       17.68085 19.86050 9.374571 21.82942 7.164363 -1.968920      11.79876 
1 1 1 -13 35 4  f 41.09022 5.372216 88.74297       21.09022 75.09000       50.11948 91.68072       23.24878 33.96335 12.04011 41.49810 5.888716 -7.534748      13.40303 
1 1 1 -13 35 5  o 15.71764 6.704000 2.909324       18.18126 8.179000       47.79959 2.017963       19.65889 23.69538 10.47473 16.05373 6.911460 7.641649       12.54943 
1 1 1 -13 35 6  o 63.97958 3.769068 206.9512       23.49922 172.9000       57.07982 213.9004       25.78581 52.07696 11.50493 64.87092 4.081610 -12.79396      12.20749 
1 1 1 -13 35 7  f 63.45213 4.120844 204.9190       25.45558 0.000000       0.000000 204.9190       25.45558 ?        ?        63.45213 4.120844 ?              ?        
1 1 1 -13 35 8  o 18.92672 7.164332 15.98304       18.20737 0.000000       0.000000 15.98304       18.20737 ?        ?        18.92672 7.164332 ?              ?        
1 1 1 -13 35 9  o 29.06105 6.556919 46.61534       18.20673 -72.12000      49.77147 64.95840       19.56259 17.51060 8.580470 34.74668 5.966715 -17.23608      10.45113 
1 1 1 -13 35 10 f 13.73619 6.085907 -2.895248      16.22450 -35.37000      48.29931 1.235270       17.22544 19.57615 9.298570 14.98061 6.459685 4.595544       11.32214 
1 1 1 -13 35 11 o 18.65015 7.992679 5.802915       26.06586 20.89000       48.30719 -0.3939634     30.95962 25.14412 10.82971 18.96562 8.404672 6.178495       13.70844 
1 1 1 -13 35 12 o 18.94903 8.478168 -2.847372      32.28866 -12.69000      46.68127 6.181000       44.70869 21.11521 9.733850 22.73745 10.08679 -1.622232      14.01753 
1 1 1 -13 35 13 o 27.91618 6.906368 43.68470       18.76694 0.3976000      48.19912 51.41983       20.37483 22.70055 10.24055 30.27643 7.013059 -7.575880      12.41177 
1 1 1 -13 35 14 o 33.87406 6.897178 63.85060       22.09077 67.58000       48.91686 62.89517       24.75929 32.19231 11.82939 33.10636 7.774038 -0.9140472     14.15522 
1 1 1 -13 35 15 o 18.91088 7.475357 14.29077       20.47227 4.313000       46.73426 16.66010       22.77360 22.78444 10.19662 19.97933 7.888512 2.805109       12.89185 
1 1 1 -13 35 16 o 52.11271 4.474945 140.0299       22.60561 132.0000       52.17294 141.8858       25.08228 44.28252 11.81726 52.15321 4.973527 -7.870693      12.82121 
1 1 1 -13 35 17 o 43.02893 5.302742 97.90607       21.86211 10.65000       48.09419 120.6319       24.54455 23.56269 10.45682 47.79074 5.337979 -24.22805      11.74049 
1 1 1 -13 35 18 o 60.73049 4.142186 188.8206       24.47569 142.0000       51.47688 202.4973       27.82176 46.26598 11.43364 62.60416 4.571715 -16.33819      12.31376 
1 1 1 -13 35 19 o 51.12260 5.465508 138.6717       26.92569 76.32000       48.25984 166.8538       32.44500 33.27089 11.81266 55.64785 6.054000 -22.37696      13.27365 
1 1 1 -13 35 20 o 43.42152 6.288893 103.0119       25.95189 37.95000       46.32726 132.7660       31.32899 26.69219 10.99293 49.04627 6.700845 -22.35409      12.87423 
1 1 1 -13 35 21 o 34.16265 6.745142 65.38927       21.75451 47.08000       45.12317 70.93366       24.83083 27.99712 11.08830 35.15049 7.448716 -7.153372      13.35791 
1 1 1 -13 35 22 o 19.20722 7.845240 13.69372       23.34858 0.000000       0.000000 13.69372       23.34858 ?        ?        19.20722 7.845240 ?              ?        
1 1 1 -13 35 23 o 20.11983 7.567702 20.19910       20.24229 9.372000       49.62231 22.36043       22.17084 23.16391 10.42529 20.96137 7.912191 2.202543       13.08776 
1 1 1 -13 35 24 o 45.98403 6.081250 115.7826       26.70164 77.37000       53.01950 128.8360       30.90733 32.29572 12.22544 47.95509 6.772795 -15.65937      13.97612 
1 1 1 -13 35 25 o 21.35390 8.007017 24.01521       22.62308 43.69000       50.42496 19.05693       25.31372 27.15989 11.35114 20.58118 8.253922 6.578709       14.03480 
1 1 1 -13 35 26 o 34.36860 6.580379 66.71083       21.33108 4.664000       50.68165 80.06815       23.51531 22.57559 10.30819 37.70326 6.612860 -15.12767      12.24699 
1 1 1 -13 35 27 o 22.60798 9.065289 25.60687       30.52990 66.97000       49.38186 0.1530000E-01  38.84268 30.57864 11.74427 20.17549 9.138375 10.40315       14.88079 
1 1 1 -13 35 28 o 18.17925 8.147628 -0.4362368     29.95769 -20.60000      47.68644 12.71000       38.50435 19.84653 9.371221 21.65620 9.493296 -1.809669      13.33951 
1 1 1 -13 35 29 o 22.57719 9.050918 26.04484       30.42608 20.03000       48.79990 29.87000       38.91629 23.82965 10.55648 24.10992 10.01586 -0.2802792     14.55186 
1 1 1 -13 35 30 o 18.68131 8.312353 2.595986       30.59288 30.12000       49.35297 -14.58000      38.98686 25.03736 10.86497 18.56036 8.671275 6.477007       13.90103 
1 1 1 -13 35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 35 32 o 32.99232 11.42013 80.22000       44.91944 0.000000       0.000000 80.22000       44.91944 ?        ?        32.99232 11.42013 ?              ?        
1 1 1 -13 35 33 o 22.69215 10.21143 12.42000       47.58729 12.42000       47.58729 0.000000       0.000000 22.69215 10.21143 ?        ?        ?              ?        
1 1 1 -13 35 34 o 19.81319 9.060502 -1.613000      39.34846 0.000000       0.000000 -1.613000      39.34846 ?        ?        19.81319 9.060502 ?              ?        
1 1 1 -13 35 35 o 20.24120 8.683849 13.55584       30.83015 8.723000       49.34676 16.65000       39.48471 22.42121 10.21221 22.02164 9.634464 0.3995647      14.03967 
1 1 1 -13 35 36 o 25.48179 9.451278 41.59472       31.35176 0.5459000E-01  50.60566 67.47000       39.93996 21.58695 10.01551 30.46056 10.75275 -8.873611      14.69463 
1 1 1 -13 35 37 o 34.75855 9.435037 80.89770       32.91623 7.089000       51.58223 131.6000       42.75238 22.17592 10.22614 43.90118 10.15158 -21.72525      14.40933 
1 1 1 -13 35 38 o 19.33142 8.418348 11.11639       29.84574 -9.250000      45.60821 26.37000       39.47046 19.72483 9.267522 22.83357 9.811300 -3.108742      13.49624 
1 1 1 -13 35 39 o 32.83609 9.418665 73.96724       31.84435 73.95000       48.82173 73.98000       42.01118 29.93866 11.62934 30.78150 11.01140 -0.8428440     16.01539 
1 1 1 -13 36 1  o 62.24109 3.892441 196.7482       23.59532 152.6000       53.91263 207.2081       26.24206 48.37011 11.54727 63.66996 4.234797 -15.29984      12.29930 
1 1 1 -13 36 2  o 43.95480 5.504689 102.2266       23.16555 26.45000       51.61983 121.3364       25.92252 26.16135 11.23034 47.84373 5.643850 -21.68238      12.56876 
1 1 1 -13 36 3  o 27.25143 7.238524 42.07227       19.63266 -1.033000      47.58441 50.91528       21.55260 22.41644 10.13778 29.92045 7.400619 -7.504015      12.55165 
1 1 1 -13 36 4  o 37.55801 5.211433 74.36862       18.64318 82.04000       49.46157 73.09827       20.12770 34.85540 11.98718 36.95330 5.751694 -2.097908      13.29565 
1 1 1 -13 36 5  o 32.02221 6.099683 55.77745       18.42102 75.29000       49.35427 52.61922       19.85592 33.59433 11.94398 30.74120 6.781098 2.853130       13.73470 
1 1 1 -13 36 6  o 41.71732 5.232606 91.56652       20.89806 0.000000       0.000000 91.56652       20.89806 ?        ?        41.71732 5.232606 ?              ?        
1 1 1 -13 36 7  o 31.10406 6.140188 52.80269       18.03027 14.79000       49.43242 58.63593       19.36434 24.43638 10.73286 32.75109 6.268732 -8.314707      12.42945 
1 1 1 -13 36 8  o 29.48817 6.492097 48.12523       18.23039 20.26000       47.95310 52.83301       19.71032 24.87364 10.75196 30.81240 6.724560 -5.938765      12.68165 
1 1 1 -13 36 9  o 37.10780 5.497661 73.28784       19.36549 51.26000       48.81253 77.40260       21.09681 29.32777 11.55847 37.94929 5.868649 -8.621521      12.96300 
1 1 1 -13 36 10 o 26.78136 9.591154 41.69871       31.88225 16.58000       47.28961 62.63000       43.16831 24.25462 10.57892 31.23088 11.16318 -6.976263      15.37953 
1 1 1 -13 36 11 o 38.08071 5.470210 77.17284       19.80541 77.25000       48.17455 77.15715       21.72642 33.77275 11.81832 37.72955 6.090374 -3.956795      13.29531 
1 1 1 -13 36 12 o 36.15109 7.824438 75.38226       26.88261 23.13000       47.50216 100.0021       32.60642 24.99037 10.75102 41.38768 8.337255 -16.39731      13.60494 
1 1 1 -13 36 13 o 40.96413 5.222286 88.73246       20.46426 87.17000       49.03492 89.06200       22.51913 35.38969 11.93973 40.68969 5.819613 -5.299992      13.28251 
1 1 1 -13 36 14 o 24.08156 7.227355 32.89353       18.39133 73.94000       46.28805 25.19898       20.04115 33.02200 11.58246 21.68273 7.620019 11.33926       13.86427 
1 1 1 -13 36 15 o 47.69026 5.331938 120.4267       24.46432 67.50000       47.45417 139.5854       28.55085 31.65292 11.64780 51.02190 5.820848 -19.36899      13.02127 
1 1 1 -13 36 16 f 44.91322 5.077306 106.3423       21.93009 10.77000       46.43334 133.7811       24.87979 23.11039 10.26435 50.40018 5.113944 -27.28979      11.46775 
1 1 1 -13 36 17 o 44.65600 5.206549 105.5555       22.33166 97.94000       47.74972 107.6875       25.26499 37.40419 11.72524 44.62967 5.930100 -7.225479      13.13953 
1 1 1 -13 36 18 o 11.67000 5.719217 -37.60900      22.13388 -31.01000      42.50749 -40.06380      25.92590 18.23961 8.680676 12.84127 6.271186 5.398338       10.70896 
1 1 1 -13 36 19 o 53.51178 4.661404 149.3765       24.17246 80.34000       48.44974 172.2562       27.89186 33.50470 11.84159 57.20214 5.032747 -23.69745      12.86669 
1 1 1 -13 36 20 o 18.99718 7.582770 15.06832       21.26154 1.371000       43.94769 19.25390       24.29383 21.39590 9.702780 20.52292 8.133526 0.8729725      12.66089 
1 1 1 -13 36 21 o 30.41727 8.221534 56.12930       25.05702 0.000000       0.000000 56.12930       25.05702 ?        ?        30.41727 8.221534 ?              ?        
1 1 1 -13 36 22 o 31.39714 7.266523 57.36830       21.88939 27.36000       46.76781 65.78613       24.77002 24.70539 10.64839 33.33983 7.739488 -8.634445      13.16388 
1 1 1 -13 36 23 o 18.48921 7.461823 13.71547       20.82878 2.418000       46.54989 16.54358       23.29037 21.72416 9.903936 19.62292 7.900648 2.101233       12.66918 
1 1 1 -13 36 24 o 29.96306 8.326138 55.10011       25.29409 73.51000       51.67937 49.30066       29.00580 31.41085 12.02688 27.89621 9.177406 3.514641       15.12847 
1 1 1 -13 36 25 o 18.11046 7.464012 11.46748       21.37807 15.94000       50.53221 10.49249       23.59344 23.67816 10.59926 18.42767 7.737247 5.250492       13.12285 
1 1 1 -13 36 26 o 30.57642 6.968142 54.14288       20.38893 57.04000       49.29668 53.54502       22.39408 28.75893 11.52356 29.96561 7.619109 -1.206684      13.81460 
1 1 1 -13 36 27 o 26.21020 9.409007 43.16246       30.70267 99.30000       49.69011 8.495000       39.04850 36.07641 12.01732 21.08245 9.385287 14.99396       15.24794 
1 1 1 -13 36 28 o 16.84676 7.763832 -9.508078      29.66644 -26.46000      47.85081 1.076000       37.80997 19.27471 9.183660 19.93472 9.024014 -0.6600189     12.87526 
1 1 1 -13 36 29 o 24.89994 9.366288 37.58119       31.00866 34.57000       48.38457 39.68000       40.39469 25.41059 10.88973 25.67587 10.38096 -0.2652798     15.04495 
1 1 1 -13 36 30 o 30.77004 11.76075 71.01000       49.36002 71.01000       49.36002 0.000000       0.000000 30.77004 11.76075 ?        ?        ?              ?        
1 1 1 -13 36 31 o 14.89663 7.117222 -26.14446      29.15545 10.48000       45.13967 -52.36000      38.19022 22.11447 9.948941 15.31996 7.508918 6.794505       12.46456 
1 1 1 -13 36 32 o 35.48444 11.12380 92.26000       42.97640 0.000000       0.000000 92.26000       42.97640 ?        ?        35.48444 11.12380 ?              ?        
1 1 1 -13 36 33 o 20.93230 9.390507 7.859000       39.89923 0.000000       0.000000 7.859000       39.89923 ?        ?        20.93230 9.390507 ?              ?        
1 1 1 -13 36 34 o 28.16399 10.78142 56.50000       41.52426 0.000000       0.000000 56.50000       41.52426 ?        ?        28.16399 10.78142 ?              ?        
1 1 1 -13 36 35 o 28.16596 11.58612 59.71000       51.38189 59.71000       51.38189 0.000000       0.000000 28.16596 11.58612 ?        ?        ?              ?        
1 1 1 -13 36 36 o 21.19737 8.842803 21.76548       30.51802 16.71000       47.45798 25.33000       39.85005 22.44478 10.13996 22.72808 9.812936 -0.2832985     14.11072 
1 1 1 -13 36 37 o 29.00685 9.567397 59.17979       31.51606 24.31000       47.75764 86.08000       41.94653 23.05257 10.31279 33.14115 11.04135 -10.08858      15.10845 
1 1 1 -13 37 1  o 53.48074 4.931388 149.2905       25.52451 116.2000       51.10825 160.2866       29.46179 40.99465 11.98417 54.98419 5.550015 -13.98954      13.20693 
1 1 1 -13 37 2  o 51.42730 5.011131 138.4142       24.90569 107.1000       51.06806 148.1866       28.52841 39.12819 12.10402 52.80859 5.604555 -13.68040      13.33860 
1 1 1 -13 37 3  o 11.99351 5.590455 -12.13555      16.05534 25.75000       44.74519 -17.73412      17.20077 24.94743 10.57420 11.72682 5.564060 13.22061       11.94874 
1 1 1 -13 37 4  o 18.99994 7.161347 16.86110       18.14764 0.000000       0.000000 16.86110       18.14764 ?        ?        18.99994 7.161347 ?              ?        
1 1 1 -13 37 5  o 15.25531 6.599360 1.536800       18.09288 0.000000       0.000000 1.536800       18.09288 ?        ?        15.25531 6.599360 ?              ?        
1 1 1 -13 37 6  o 22.50039 7.013690 28.28603       17.11025 41.88000       45.85002 26.08660       18.44256 27.35489 11.05977 21.81307 7.322193 5.541819       13.26398 
1 1 1 -13 37 7  f 20.19441 7.002784 21.50540       16.89348 13.42000       45.13514 22.82262       18.21766 23.32356 10.24953 20.75986 7.267421 2.563705       12.56457 
1 1 1 -13 37 8  o 29.31774 9.536327 53.12232       31.35965 106.5000       47.10087 10.62000       42.02961 39.54974 11.48852 22.47676 9.883568 17.07298       15.15490 
1 1 1 -13 37 9  o 12.62618 5.845153 -10.90628      17.09394 -47.71000      42.72985 -3.894097      18.65144 17.11814 8.288481 14.41748 6.447669 2.700657       10.50102 
1 1 1 -13 37 10 o 27.87310 6.922925 44.18455       18.80232 50.44000       44.10026 42.79483       20.78624 28.55084 11.06308 27.14718 7.549393 1.403664       13.39347 
1 1 1 -13 37 11 o 30.15164 6.751040 51.31283       19.42759 17.10000       43.11082 60.03128       21.76262 23.35295 10.14418 32.49705 7.045175 -9.144100      12.35066 
1 1 1 -13 37 12 o 17.28301 7.532431 2.743651       23.93574 -21.85000      41.04753 15.41490       29.46356 18.68870 8.784240 20.81931 8.687165 -2.130610      12.35434 
1 1 1 -13 37 13 o 27.19015 8.547013 44.35859       25.35470 6.418000       43.12964 64.39507       31.34256 22.00790 9.826056 32.05668 9.388681 -10.04878      13.59039 
1 1 1 -13 37 14 o 23.39820 7.514571 31.26849       19.51088 -13.66000      42.35326 43.37155       21.98232 19.69444 9.146071 27.12548 7.839335 -7.431036      12.04599 
1 1 1 -13 37 15 o 19.90300 7.700218 18.62539       21.33990 -1.881000      43.66010 25.06209       24.46084 21.05403 9.595794 21.93403 8.303708 -0.8800011     12.68979 
1 1 1 -13 37 16 o 25.49323 8.829476 38.90217       26.85275 22.70000       44.68554 48.06000       33.59517 24.02202 10.38149 27.63291 9.851136 -3.610893      14.31154 
1 1 1 -13 37 17 o 17.19346 7.440304 4.460082       23.01327 5.980000       43.86895 3.882995       27.03137 21.78999 9.805013 18.15087 7.955510 3.639114       12.62650 
1 1 1 -13 37 18 o 31.86596 7.160351 58.88131       21.78814 -19.14000      46.45951 80.87877       24.66916 19.76269 9.306556 37.66482 6.947211 -17.90213      11.61360 
1 1 1 -13 37 19 o 27.32503 8.516504 45.89320       25.22906 0.000000       0.000000 45.89320       25.22906 ?        ?        27.32503 8.516504 ?              ?        
1 1 1 -13 37 20 o 30.44251 8.401140 57.14734       25.85042 0.000000       0.000000 57.14734       25.85042 ?        ?        30.44251 8.401140 ?              ?        
1 1 1 -13 37 21 o 25.89831 7.971382 40.46111       22.18225 3.951000       46.49847 51.21816       25.23938 21.79743 9.922283 28.77997 8.424061 -6.982546      13.01601 
1 1 1 -13 37 22 o 24.77734 7.915438 36.63819       21.66926 24.52000       46.87081 39.93242       24.43772 24.18804 10.54121 25.61688 8.423609 -1.428839      13.49349 
1 1 1 -13 37 23 o 19.56652 7.606062 18.28805       20.89649 -21.63000      46.40115 28.44344       23.40412 19.45037 9.202102 22.45672 8.193542 -3.006346      12.32123 
1 1 1 -13 37 24 o 18.81235 7.790513 13.03745       23.44071 -31.95000      46.69669 28.19218       27.10283 18.64015 8.933023 22.61262 8.696535 -3.972473      12.46710 
1 1 1 -13 37 25 o 25.51306 7.862110 39.26544       21.57052 68.46000       50.71150 32.81649       23.83417 30.35064 11.83448 23.56940 8.307652 6.781235       14.45932 
1 1 1 -13 37 26 o 17.01702 7.824116 -8.275385      29.88451 9.629000       48.74180 -19.06000      37.82894 22.51792 10.21426 17.79947 8.386891 4.718445       13.21632 
1 1 1 -13 37 27 o 22.31503 9.026580 25.29651       30.55872 -11.92000      48.32196 50.10000       39.44874 20.45391 9.587534 27.42056 10.50559 -6.966656      14.22281 
1 1 1 -13 37 28 o 24.88047 9.405326 37.82371       31.35468 72.18000       48.00388 12.26000       41.40808 30.96034 11.65204 21.77681 9.681322 9.183529       15.14919 
1 1 1 -13 37 29 o 24.83817 10.71861 32.10000       47.49865 32.10000       47.49865 0.000000       0.000000 24.83817 10.71861 ?        ?        ?              ?        
1 1 1 -13 37 30 o 32.67152 9.348038 70.47787       31.40647 106.7000       49.05638 45.32000       40.88327 37.02713 11.91780 26.33938 10.51438 10.68775       15.89296 
1 1 1 -13 37 31 o 22.27739 9.679359 19.56000       39.27063 0.000000       0.000000 19.56000       39.27063 ?        ?        22.27739 9.679359 ?              ?        
1 1 1 -13 37 32 o 19.73193 8.559836 11.63550       30.61201 26.06000       49.51812 2.713000       38.94547 23.97881 10.62764 20.02273 9.101268 3.956081       13.99213 
1 1 1 -13 37 33 o 27.17553 9.613794 50.09435       31.94075 66.64000       51.85685 39.98000       40.54462 29.07181 11.75907 25.11647 10.30756 3.955336       15.63718 
1 1 1 -13 37 34 o 19.92191 8.582471 14.43651       30.35266 -8.331000      47.72554 29.90000       39.33207 20.10538 9.456921 23.30456 9.897383 -3.199175      13.68910 
1 1 1 -13 37 35 o 20.77954 8.773664 20.28604       30.60843 29.80000       47.37704 13.47000       40.10085 23.61952 10.43535 21.01511 9.421977 2.604412       14.05952 
1 1 1 -13 37 36 o 17.96162 8.495322 -14.54000      39.49359 0.000000       0.000000 -14.54000      39.49359 ?        ?        17.96162 8.495322 ?              ?        
1 1 1 -13 38 1  o 43.54978 6.164007 103.5942       25.54222 92.70000       45.83847 108.5000       30.76029 36.44657 11.49692 43.57210 7.481754 -7.125534      13.71699 
1 1 1 -13 38 2  o 47.87407 4.531746 119.1992       20.98318 92.62000       47.09697 125.7818       23.43792 36.22968 11.67884 48.90633 4.964800 -12.67665      12.69033 
1 1 1 -13 38 3  f 30.34833 6.952123 52.47986       20.20731 0.000000       0.000000 52.47986       20.20731 ?        ?        30.34833 6.952123 ?              ?        
1 1 1 -13 38 4  o 40.23303 5.576908 86.99503       21.37270 0.000000       0.000000 86.99503       21.37270 ?        ?        40.23303 5.576908 ?              ?        
1 1 1 -13 38 5  o 28.58058 6.652125 46.16248       18.25950 -25.25000      40.96883 63.86431       20.39744 18.33902 8.667443 33.92040 6.377440 -15.58138      10.76087 
1 1 1 -13 38 6  o 23.12037 7.244160 30.40087       18.22871 10.85000       40.92139 35.24078       20.36037 22.13161 9.741353 24.65479 7.645388 -2.523176      12.38329 
1 1 1 -13 38 7  o 23.08234 6.944161 30.24036       16.96322 64.95000       43.39130 23.97867       18.42991 30.99183 11.17793 21.03526 7.313177 9.956575       13.35772 
1 1 1 -13 38 8  o 21.83368 7.329261 26.55692       18.47817 21.31000       42.47968 27.78141       20.52136 23.67751 10.17625 22.32082 7.719290 1.356689       12.77276 
1 1 1 -13 38 9  o 19.87783 7.270824 20.28213       18.44677 31.46000       43.02901 17.76519       20.41827 25.10785 10.48903 19.50871 7.536292 5.599140       12.91571 
1 1 1 -13 38 10 o 16.86411 6.838641 9.913815       17.58974 -11.37000      41.30651 14.62820       19.44044 19.57890 9.071642 18.50030 7.293399 1.078600       11.63995 
1 1 1 -13 38 11 o 17.18504 6.995260 10.30259       18.48659 -46.62000      41.64555 24.27181       20.63063 16.73067 8.120105 21.23872 7.701070 -4.508051      11.19118 
1 1 1 -13 38 12 o 27.85028 7.086366 45.01949       19.36212 56.42000       44.50142 42.35739       21.50422 28.99395 11.14544 26.67473 7.766768 2.319221       13.58468 
1 1 1 -13 38 13 o 15.37839 7.075974 -9.904222      24.50612 -25.42000      42.90247 -2.390139      29.85613 18.51780 8.786540 17.89392 8.067096 0.6238861      11.92817 
1 1 1 -13 38 14 o 25.85466 8.715521 40.91562       26.12785 29.88000       46.66789 45.95407       31.53321 24.90001 10.68330 26.96064 9.550895 -2.060638      14.33013 
1 1 1 -13 38 15 o 43.75402 5.867077 104.6468       24.49459 82.54000       48.89507 112.0536       28.30210 33.21758 11.87975 44.63628 6.683056 -11.41870      13.63055 
1 1 1 -13 38 16 o 31.92003 8.094686 61.91360       25.32382 29.31000       46.75546 75.44860       30.12510 24.73137 10.65317 34.68284 8.846835 -9.951471      13.84762 
1 1 1 -13 38 17 o 19.39751 8.101909 13.59010       25.66488 -18.08000      47.30112 26.80383       30.55339 19.85467 9.362334 22.68882 9.078615 -2.834148      13.04126 
1 1 1 -13 38 18 o 33.47277 8.052049 67.87901       26.05874 0.000000       0.000000 67.87901       26.05874 ?        ?        33.47277 8.052049 ?              ?        
1 1 1 -13 38 19 o 26.03398 8.065579 41.10967       22.66588 30.10000       48.39781 44.20281       25.65301 24.95208 10.79380 26.69825 8.620450 -1.746172      13.81369 
1 1 1 -13 38 20 o 42.29813 5.846941 98.11622       23.56112 56.84000       48.50839 110.8605       26.95414 28.63816 11.44598 44.57959 6.356947 -15.94143      13.09279 
1 1 1 -13 38 21 o 36.44569 6.588386 75.44029       22.63857 6.534000       47.68894 95.48581       25.72153 22.06909 10.04694 41.06041 6.625272 -18.99132      12.03475 
1 1 1 -13 38 22 o 15.57256 6.907615 -0.5247484     20.96210 3.931000       46.18423 -1.680824      23.52483 21.59156 9.851729 16.16557 7.234457 5.425991       12.22268 
1 1 1 -13 38 23 o 54.00570 5.478247 157.8003       28.55904 153.1000       55.18676 159.5195       33.37566 45.00465 12.21695 53.26812 6.538082 -8.263474      13.85642 
1 1 1 -13 38 24 o 15.73764 7.440061 -20.46222      30.22694 5.580000       46.20211 -39.95000      39.96723 21.69557 9.881617 16.56262 8.018682 5.132952       12.72579 
1 1 1 -13 38 25 o 32.74113 6.933872 62.26931       21.52899 29.21000       48.02739 70.58282       24.08431 24.52721 10.68002 34.59634 7.339727 -10.06912      12.95895 
1 1 1 -13 38 26 o 32.54271 9.404497 69.80859       31.63701 32.31000       47.87421 98.88000       42.15287 24.87885 10.74863 37.19355 10.88667 -12.31470      15.29878 
1 1 1 -13 38 27 o 25.03797 10.70474 35.24000       46.55358 35.24000       46.55358 0.000000       0.000000 25.03797 10.70474 ?        ?        ?              ?        
1 1 1 -13 38 28 o 40.03612 8.670484 100.6467       32.99290 73.66000       49.97227 121.5000       43.92796 30.65180 11.80342 41.52312 10.73103 -10.87132      15.95229 
1 1 1 -13 38 29 o 16.52929 7.953577 -32.56000      37.87922 0.000000       0.000000 -32.56000      37.87922 ?        ?        16.52929 7.953577 ?              ?        
1 1 1 -13 38 30 o 11.65182 5.852125 -72.65388      29.44085 -33.22000      49.76223 -93.89000      36.51763 18.77168 9.053592 12.60466 6.354873 6.167016       11.06128 
1 1 1 -13 38 31 o 29.40627 9.603649 59.62820       31.78772 56.16000       50.52771 61.90000       40.89437 27.50025 11.41748 28.85880 10.77668 -1.358549      15.70018 
1 1 1 -13 38 32 o 22.70200 9.035457 30.39512       30.10250 -11.03000      47.02766 59.15000       39.18116 19.72600 9.311872 28.22777 10.54703 -8.501764      14.06950 
1 1 1 -13 38 33 o 19.92362 8.541112 16.02753       29.78296 25.06000       46.10260 9.558000       39.01742 22.92415 10.20195 20.36990 9.199150 2.554255       13.73696 
1 1 1 -13 38 34 o 22.42800 9.042735 29.97798       30.55728 -29.66000      45.99463 77.10000       40.88439 17.96821 8.675494 31.22282 10.89007 -13.25461      13.92328 
1 1 1 -13 39 1  o 35.59073 5.763816 69.28813       19.39338 64.83000       44.73295 70.32000       21.52105 30.40819 11.28741 35.41286 6.446036 -5.004671      12.99834 
1 1 1 -13 39 2  o 56.26896 5.097563 167.9507       27.77187 0.000000       0.000000 167.9507       27.77187 ?        ?        56.26896 5.097563 ?              ?        
1 1 1 -13 39 3  o 26.78965 9.469836 45.02410       30.98639 39.95000       44.19537 49.93000       43.45670 26.18311 10.75523 27.76328 10.91691 -1.580172      15.32494 
1 1 1 -13 39 4  o 33.39421 6.060125 61.86522       19.07952 29.28000       44.08892 69.37370       21.16388 24.59957 10.46425 35.19257 6.378625 -10.59300      12.25510 
1 1 1 -13 39 5  o 18.08719 6.975750 14.98612       17.47315 -34.17000      41.63948 25.49192       19.25002 17.52240 8.407405 21.38195 7.471534 -3.859549      11.24759 
1 1 1 -13 39 6  o 19.89923 7.105858 21.17607       17.48699 -13.95000      41.62840 28.70263       19.26962 19.21084 8.970258 22.36117 7.484295 -3.150326      11.68247 
1 1 1 -13 39 7  o 25.17098 6.915824 36.79079       17.56139 47.84000       43.23280 34.60737       19.21836 27.28565 10.83846 24.26110 7.410859 3.024555       13.12985 
1 1 1 -13 39 8  o 14.20218 6.341042 -2.746281      17.96188 8.887000       42.14096 -5.328964      19.85587 21.68087 9.694114 14.45270 6.541228 7.228166       11.69459 
1 1 1 -13 39 9  o 13.15191 6.032551 -8.135242      17.62027 17.85000       43.41717 -13.25899      19.27934 22.93759 10.06712 13.05522 6.098802 9.882368       11.77040 
1 1 1 -13 39 10 o 25.71833 7.185695 38.85957       18.78401 17.75000       45.33233 43.23529       20.63923 23.13331 10.21468 26.93614 7.534468 -3.802824      12.69283 
1 1 1 -13 39 11 o 14.72246 6.512846 -0.8588924     18.51106 -30.25000      43.93454 5.484797       20.41122 18.23598 8.719249 16.54905 7.082085 1.686928       11.23304 
1 1 1 -13 39 12 o 30.43966 6.878020 53.64492       20.00871 52.16000       47.49630 53.96530       22.06188 27.85223 11.25811 30.09730 7.512713 -2.245064      13.53462 
1 1 1 -13 39 13 o 25.44032 7.877962 39.08099       21.62657 59.26000       47.05856 33.67802       24.35033 28.96484 11.36907 23.79772 8.396344 5.167120       14.13345 
1 1 1 -13 39 14 o 41.30970 9.229521 108.2831       36.37791 124.5000       50.95087 91.42000       51.95613 40.73397 11.98153 34.10461 12.24018 6.629364       17.12831 
1 1 1 -13 39 15 o 16.70680 7.087073 6.687731       20.12702 12.32000       47.06874 5.427427       22.26530 22.66776 10.18177 17.04862 7.347718 5.619146       12.55617 
1 1 1 -13 39 16 f 20.06655 8.466857 14.45687       28.47368 0.000000       0.000000 14.45687       28.47368 ?        ?        20.06655 8.466857 ?              ?        
1 1 1 -13 39 17 o 22.25479 8.820104 26.18448       28.56902 0.000000       0.000000 26.18448       28.56902 ?        ?        22.25479 8.820104 ?              ?        
1 1 1 -13 39 18 o 19.51066 7.731084 17.80463       21.94584 43.25000       48.08942 11.11147       24.66385 26.38444 11.06010 18.62949 7.871295 7.754944       13.57509 
1 1 1 -13 39 19 o 39.77034 6.334291 88.81625       23.83198 50.36000       51.88705 99.09808       26.82939 27.48006 11.50183 41.64104 6.818129 -14.16099      13.37083 
1 1 1 -13 39 20 o 27.81950 7.949794 47.51915       22.72767 34.68000       49.89144 50.88121       25.53057 25.29436 10.95046 28.40265 8.513330 -3.108290      13.87045 
1 1 1 -13 39 21 o 15.19614 6.851061 -3.659216      21.53532 11.14000       47.64003 -7.459981      24.14283 22.40038 10.13583 15.45615 7.078976 6.944229       12.36313 
1 1 1 -13 39 22 o 28.36962 7.631161 48.73725       21.65059 24.53000       46.86938 55.30390       24.41115 23.78681 10.44913 29.88227 8.130935 -6.095457      13.23995 
1 1 1 -13 39 23 o 34.70557 7.643950 72.22420       25.26404 18.93000       46.30057 94.81924       30.14762 23.05676 10.24458 39.51547 8.067554 -16.45870      13.03982 
1 1 1 -13 39 24 o 23.43295 8.283957 33.02794       23.71203 -18.86000      44.92579 53.06448       27.91733 19.11378 9.046354 28.58852 8.966010 -9.474741      12.73679 
1 1 1 -13 39 25 o 25.38984 9.563880 41.39907       32.35559 84.30000       46.76496 2.005000       44.81286 32.81199 11.63038 20.90342 9.600012 11.90856       15.08065 
1 1 1 -13 39 26 f 24.87794 10.87052 33.51000       50.12896 33.51000       50.12896 0.000000       0.000000 24.87794 10.87052 ?        ?        ?              ?        
1 1 1 -13 39 27 o 20.58113 8.754395 16.78024       30.85488 18.88000       49.89429 15.48000       39.26258 23.20986 10.44921 21.59165 9.521272 1.618208       14.13650 
1 1 1 -13 39 28 o 22.23526 9.745919 20.45000       40.56957 0.000000       0.000000 20.45000       40.56957 ?        ?        22.23526 9.745919 ?              ?        
1 1 1 -13 39 29 o 24.00093 9.316674 36.30149       31.31851 10.03000       48.99705 54.45000       40.72378 21.91384 10.05449 27.34107 10.62094 -5.427233      14.62523 
1 1 1 -13 39 30 o 25.23480 9.392645 42.83398       31.01514 30.14000       48.51110 51.61000       40.33582 23.78174 10.53074 26.63367 10.50384 -2.851923      14.87371 
1 1 1 -13 39 31 o 18.15268 8.120597 4.914517       29.61015 -62.09000      45.34110 54.74000       39.09901 15.89857 7.866323 27.01540 10.43071 -11.11682      13.06441 
1 1 1 -13 39 32 o 20.09868 8.584797 17.65794       29.88918 -26.36000      45.97575 49.88000       39.33604 18.13562 8.735629 26.04546 10.34084 -7.909836      13.53677 
1 1 1 -13 40 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 40 2  o 22.98089 7.259497 30.91275       18.26998 59.54000       45.33388 25.36161       19.96292 28.96505 11.21861 21.27538 7.592815 7.689672       13.54652 
1 1 1 -13 40 3  o 17.76948 7.100074 13.15334       18.66020 13.24000       44.75378 13.13510       20.52990 22.37056 9.997182 18.17685 7.381818 4.193714       12.42718 
1 1 1 -13 40 4  o 16.35438 6.899908 6.808574       18.90691 72.62000       45.08143 -7.237761      20.82709 31.33097 11.38059 14.44337 6.599927 16.88759       13.15587 
1 1 1 -13 40 5  o 30.74447 6.638240 54.25429       19.39116 -27.34000      45.06225 72.79716       21.48184 18.61798 8.882244 35.96740 6.332991 -17.34942      10.90876 
1 1 1 -13 40 6  o 42.85165 5.027847 98.15471       20.68833 56.29000       46.80212 108.3216       23.06401 28.40416 11.27885 44.78268 5.368482 -16.37852      12.49132 
1 1 1 -13 40 7  o 53.57976 4.329237 149.7628       22.51164 90.91000       49.87115 164.8232       25.22811 34.18558 12.01989 55.96451 4.647274 -21.77893      12.88701 
1 1 1 -13 40 8  o 41.83024 5.302695 94.40321       21.22450 45.11000       46.46297 107.4016       23.85936 26.70080 11.00403 44.40868 5.614136 -17.70788      12.35343 
1 1 1 -13 40 9  o 20.36181 7.393851 22.44018       19.02667 -7.335000      44.55222 29.08207       21.04206 20.24085 9.393188 22.42463 7.813170 -2.183775      12.21792 
1 1 1 -13 40 10 o 17.99523 7.124407 14.03506       18.62162 -32.64000      44.00723 24.21529       20.55231 18.02064 8.645588 21.00974 7.676187 -2.989096      11.56158 
1 1 1 -13 40 11 o 21.56278 7.608081 26.34054       19.99298 31.89000       46.82443 25.10325       22.10972 24.86538 10.68534 21.37706 7.935388 3.488323       13.30965 
1 1 1 -13 40 12 o 21.07067 7.971782 23.91070       22.53594 13.99000       47.25138 26.83182       25.63999 22.69964 10.19836 22.07507 8.466566 0.6245747      13.25478 
1 1 1 -13 40 13 o 13.42683 6.240697 -11.46608      19.78366 -25.04000      46.66947 -8.492490      21.84340 19.01735 9.063430 14.57540 6.696984 4.441942       11.26922 
1 1 1 -13 40 14 o 16.76488 7.565183 -2.598778      26.32769 5.027000       49.35555 -5.631665      31.12592 22.01742 10.09800 17.58635 8.048298 4.431065       12.91297 
1 1 1 -13 40 15 o 20.65121 8.171136 21.24570       24.48215 0.000000       0.000000 21.24570       24.48215 ?        ?        20.65121 8.171136 ?              ?        
1 1 1 -13 40 16 o 30.81418 8.297214 59.30610       25.57898 -1.858000      49.83429 81.18415       29.80467 21.39814 9.931684 35.97004 8.584847 -14.57190      13.12776 
1 1 1 -13 40 17 o 47.61402 6.131846 126.2658       27.91528 35.49000       52.04512 162.9284       33.07556 25.42585 11.09378 53.86686 6.397883 -28.44101      12.80644 
1 1 1 -13 40 18 o 22.31575 8.019970 28.96220       22.31367 -28.60000      46.98813 45.72271       25.35497 18.76193 8.983230 26.88677 8.559184 -8.124842      12.40798 
1 1 1 -13 40 19 o 19.33850 7.739939 17.19509       22.21288 -11.38000      45.49692 26.13818       25.45259 19.84481 9.302356 21.80787 8.416957 -1.963064      12.54508 
1 1 1 -13 40 20 o 49.23701 5.035624 129.8923       23.92753 88.37000       48.25100 143.4331       27.55418 33.50452 11.81944 51.26907 5.580633 -17.76455      13.07068 
1 1 1 -13 40 21 o 16.96083 7.246134 7.085552       21.30298 -37.34000      43.82666 20.82900       24.37641 17.45835 8.438922 20.44335 8.132673 -2.985004      11.71989 
1 1 1 -13 40 22 o 15.19631 6.779596 -1.125432      20.49026 56.35000       44.24447 -16.81818      23.11891 27.91152 11.00310 13.86073 6.538805 14.05079       12.79938 
1 1 1 -13 40 23 o 24.30786 8.353851 36.73291       24.02062 55.13000       47.45490 30.39555       27.85228 27.60024 11.21777 22.81043 8.804562 4.789808       14.26039 
1 1 1 -13 40 24 o 25.56657 10.92194 40.51000       48.39151 40.51000       48.39151 0.000000       0.000000 25.56657 10.92194 ?        ?        ?              ?        
1 1 1 -13 40 25 o 20.13976 8.736773 13.81725       31.89074 -39.11000      47.58574 56.97000       42.96764 17.91288 8.690619 27.82078 10.88031 -9.907894      13.92508 
1 1 1 -13 40 26 o 64.29182 8.750177 261.7000       53.63763 0.000000       0.000000 261.7000       53.63763 ?        ?        64.29182 8.750177 ?              ?        
1 1 1 -13 40 27 o 17.18065 7.909892 -5.321735      30.68593 -4.365000      50.43683 -5.884000      38.66537 20.68633 9.727573 18.73919 8.714823 1.947147       13.06039 
1 1 1 -13 40 28 o 18.84660 8.310788 9.140144       29.91391 8.372000       46.21580 9.694000       39.24349 21.13320 9.721486 20.38263 9.213353 0.7505684      13.39377 
1 1 1 -13 40 29 o 25.99454 9.413019 47.56517       30.80917 35.03000       47.07117 56.96000       40.75061 23.88309 10.48213 27.12774 10.59979 -3.244640      14.90740 
1 1 1 -13 40 30 o 13.59048 6.635176 -36.18608      28.96312 -2.940000      45.14623 -59.44000      37.75716 19.70363 9.245818 14.32341 7.103081 5.380225       11.65928 
1 1 1 -13 41 1  o 17.38729 7.140961 11.00384       19.47848 -69.86000      48.76743 26.35297       21.24686 16.60948 8.207100 21.56174 7.815656 -4.952257      11.33318 
1 1 1 -13 41 2  o 19.52488 8.664028 6.411906       33.00838 0.000000       0.000000 6.411906       33.00838 ?        ?        19.52488 8.664028 ?              ?        
1 1 1 -13 41 3  o 26.86024 7.753663 44.00957       21.51608 10.79000       47.46618 52.60058       24.13845 22.29183 10.09897 29.09521 8.151722 -6.803375      12.97843 
1 1 1 -13 41 4  o 40.45123 5.992091 90.95428       23.00906 111.3000       49.94977 85.47424       25.92322 37.75787 12.01271 38.23063 7.191289 -0.4727631     14.00070 
1 1 1 -13 41 5  o 23.67520 7.827651 33.71104       21.09223 13.01000       46.53070 39.06472       23.66299 22.39420 10.08566 25.13179 8.290194 -2.737591      13.05556 
1 1 1 -13 41 6  o 23.36006 7.421084 32.45083       19.06866 4.288000       46.33526 38.19308       20.92254 21.45899 9.820259 25.07069 7.746153 -3.611700      12.50761 
1 1 1 -13 41 7  o 43.80223 5.147335 103.2929       21.64841 111.7000       50.04676 101.3577       24.01102 37.80027 12.02415 42.81362 5.885125 -5.013348      13.38712 
1 1 1 -13 41 8  o 23.68024 7.648845 33.59968       20.19503 57.16000       47.66083 28.44394       22.29545 28.25141 11.32714 22.17987 8.010798 6.071539       13.87361 
1 1 1 -13 41 9  o 14.16423 6.433431 -5.512354      19.41430 10.33000       46.50320 -8.856389      21.36527 22.10433 10.00681 14.34189 6.601934 7.762444       11.98840 
1 1 1 -13 41 10 f 26.65320 8.154191 44.20476       23.25537 14.99000       48.62159 52.87046       26.48072 22.81346 10.28897 28.73686 8.683031 -5.923409      13.46321 
1 1 1 -13 41 11 o 37.94040 7.088151 84.03819       25.35563 17.42000       48.98413 108.4210       29.63475 23.07957 10.37515 42.99418 7.302793 -19.91461      12.68757 
1 1 1 -13 41 12 o 43.12885 5.437708 101.3403       22.44646 99.30000       50.81332 101.8349       25.01999 35.06576 12.14584 42.63808 6.174417 -7.572315      13.62515 
1 1 1 -13 41 13 o 24.20156 8.323143 35.95224       23.84562 0.000000       0.000000 35.95224       23.84562 ?        ?        24.20156 8.323143 ?              ?        
1 1 1 -13 41 14 o 23.31018 8.381553 32.67026       24.37454 0.000000       0.000000 32.67026       24.37454 ?        ?        23.31018 8.381553 ?              ?        
1 1 1 -13 41 15 o 25.77278 8.885332 42.42599       27.18128 66.88000       47.90266 30.81353       33.01009 29.62449 11.51599 23.33470 9.402063 6.289797       14.86664 
1 1 1 -13 41 16 o 24.59647 7.963887 37.11457       21.88480 0.2077000      45.81248 48.02699       24.91096 20.88817 9.634086 27.51495 8.443538 -6.626778      12.81050 
1 1 1 -13 41 17 o 16.64838 7.428410 0.3361919      24.60840 -9.299000      45.22898 4.387903       29.32958 19.89106 9.308185 18.39102 8.163589 1.500046       12.38089 
1 1 1 -13 41 18 f 37.91069 6.547687 82.42187       23.41897 37.94000       47.16564 96.97665       26.97970 25.14199 10.76265 40.75751 7.015799 -15.61552      12.84742 
1 1 1 -13 41 19 o 36.04803 6.821106 75.64606       23.18689 79.51000       46.91895 74.39745       26.67141 31.62261 11.59105 34.68288 8.016951 -3.060270      14.09340 
1 1 1 -13 41 20 o 20.04257 7.814301 20.80929       22.10818 41.27000       46.42402 14.80803       25.14222 25.49810 10.78749 19.21670 8.022138 6.281395       13.44338 
1 1 1 -13 41 21 o 37.38012 6.480199 80.07101       22.85132 36.05000       50.10641 91.63116       25.67704 24.98132 10.89276 39.70536 6.854457 -14.72404      12.86996 
1 1 1 -13 41 22 o 19.06398 7.855944 15.71915       23.67794 42.51000       48.55057 7.358415       27.12209 25.53304 10.92454 18.21674 7.977027 7.316301       13.52696 
1 1 1 -13 41 23 o 24.48891 10.69085 35.22000       48.39039 35.22000       48.39039 0.000000       0.000000 24.48891 10.69085 ?        ?        ?              ?        
1 1 1 -13 41 24 o 15.05299 7.211735 -24.92697      30.38361 -11.35000      45.45811 -35.89000      40.84842 19.35676 9.142884 16.64397 8.069571 2.712786       12.19468 
1 1 1 -13 41 25 o 19.01098 8.907300 -7.023000      41.63150 0.000000       0.000000 -7.023000      41.63150 ?        ?        19.01098 8.907300 ?              ?        
1 1 1 -13 41 26 o 23.44077 9.298910 35.66860       31.78322 8.056000       46.38837 60.10000       43.63446 20.94701 9.673074 27.46363 10.89528 -6.516617      14.56968 
1 1 1 -13 41 27 f 20.47228 8.745377 19.60220       31.02419 33.20000       45.84048 8.110000       42.14212 23.53856 10.33714 20.38944 9.343751 3.149120       13.93421 
1 1 1 -13 42 1  o 20.50657 7.476786 23.35286       19.48358 5.092000       45.79749 27.38826       21.52901 21.34492 9.766191 21.77408 7.870870 -0.4291687     12.54309 
1 1 1 -13 42 2  o 19.48305 7.334095 19.89152       19.02028 9.546000       45.20744 22.11674       20.96627 21.72339 9.847145 20.31404 7.688325 1.409351       12.49306 
1 1 1 -13 42 3  o 19.37251 8.199848 13.53531       26.84466 -42.77000      46.33935 41.97551       32.93378 17.58314 8.541169 25.49854 9.639191 -7.915401      12.87888 
1 1 1 -13 42 4  o 22.96989 7.898040 31.62522       21.47169 0.000000       0.000000 31.62522       21.47169 ?        ?        22.96989 7.898040 ?              ?        
1 1 1 -13 42 5  o 30.29858 7.389749 55.16410       21.71669 -39.61000      45.38463 83.30807       24.73186 17.60103 8.527010 37.86201 6.928642 -20.26098      10.98708 
1 1 1 -13 42 6  o 45.96879 6.276974 118.8897       27.50657 51.76000       47.90880 151.9000       33.59564 27.21125 11.18995 51.41995 6.844756 -24.20870      13.11738 
1 1 1 -13 42 7  o 27.85127 7.391132 46.84317       20.48095 4.254000       45.62987 57.58820       22.91941 21.21595 9.722585 30.76160 7.645143 -9.545652      12.36838 
1 1 1 -13 42 8  o 23.08194 7.678645 31.99678       20.28867 11.71000       44.05642 37.45708       22.85657 21.77548 9.809822 24.60152 8.149019 -2.826044      12.75301 
1 1 1 -13 42 9  o 45.52011 5.912283 115.0534       25.72119 85.28000       48.93732 126.4176       30.23408 32.58197 11.85403 46.90877 6.781268 -14.32680      13.65663 
1 1 1 -13 42 10 f 26.58601 7.506948 42.99232       20.38791 73.05000       45.69942 35.52328       22.78061 30.75487 11.41008 24.04137 8.138047 6.713491       14.01491 
1 1 1 -13 42 11 o 20.45820 7.698906 22.78034       20.95614 -36.71000      45.62216 38.68914       23.59235 17.80873 8.608717 24.89584 8.280198 -7.087111      11.94453 
1 1 1 -13 42 12 o 19.98119 7.945447 19.74610       23.25742 0.000000       0.000000 19.74610       23.25742 ?        ?        19.98119 7.945447 ?              ?        
1 1 1 -13 42 13 o 31.06940 7.288578 57.97633       21.78081 78.69000       46.86771 52.27040       24.59849 31.43556 11.57426 28.66580 8.295184 2.769768       14.23986 
1 1 1 -13 42 14 o 16.26661 7.076781 4.250404       21.04775 40.72000       44.58379 -6.208751      23.87590 25.29737 10.62972 15.40925 7.050816 9.888124       12.75559 
1 1 1 -13 42 15 o 16.32609 7.422262 -3.688907      25.91556 46.14000       45.61213 -27.44297      31.49260 26.08015 10.83959 15.23992 7.312084 10.84023       13.07530 
1 1 1 -13 42 16 o 14.49873 6.690564 -8.825174      22.13538 -90.82000      46.50550 15.19190       25.16930 14.98500 7.501733 19.25668 8.031699 -4.271681      10.99019 
1 1 1 -13 42 17 o 22.45353 8.608010 29.61317       26.49611 -32.13000      47.60846 57.31902       31.89153 18.37646 8.861110 28.81105 9.628097 -10.43459      13.08509 
1 1 1 -13 42 18 o 23.55401 8.678493 34.62151       26.35749 36.03000       48.84826 34.04300       31.30585 24.70187 10.76327 23.54383 9.263373 1.158033       14.20063 
1 1 1 -13 42 19 o 28.19442 8.044865 50.56034       23.29160 12.90000       48.68994 61.73557       26.52317 22.04656 10.08067 30.79777 8.513856 -8.751205      13.19491 
1 1 1 -13 42 20 o 33.56564 7.238925 68.00804       23.08335 -18.72000      49.15845 92.54058       26.14506 19.36956 9.250814 39.53062 7.013777 -20.16107      11.60908 
1 1 1 -13 42 21 o 19.47389 8.043288 17.63420       24.89697 -19.60000      46.31391 32.76741       29.52610 18.76958 8.968349 22.97067 9.008730 -4.201082      12.71175 
1 1 1 -13 42 22 o 16.67363 7.751154 -8.232038      30.54008 -17.70000      45.14035 -0.2401000     41.47274 18.62900 8.888176 19.55671 9.071230 -0.9277058     12.69988 
1 1 1 -13 42 23 o 20.07481 9.237494 5.671000       41.77402 0.000000       0.000000 5.671000       41.77402 ?        ?        20.07481 9.237494 ?              ?        
1 1 1 -13 42 24 o 24.62755 9.466507 42.30549       32.10287 -5.949000      46.74818 85.37000       44.16270 19.63261 9.272737 31.73162 11.29661 -12.09901      14.61496 
1 1 1 -13 42 25 o 23.02366 10.13935 32.00000       44.38795 32.00000       44.38795 0.000000       0.000000 23.02366 10.13935 ?        ?        ?              ?        
1 1 1 -13 43 1  o 12.86248 5.972215 -10.13454      18.04599 -3.947000      41.89353 -11.54422      19.99628 19.67396 9.122684 13.39516 6.242181 6.278801       11.05388 
1 1 1 -13 43 2  o 27.34288 7.256740 45.22414       19.74201 52.87000       44.41631 43.34174       22.03865 27.10745 10.91178 26.33255 7.913596 0.7749004      13.47931 
1 1 1 -13 43 3  o 16.38462 6.879494 8.104764       18.65253 13.07000       42.85233 6.944134       20.71817 21.59129 9.705258 16.68403 7.137382 4.907265       12.04717 
1 1 1 -13 43 4  o 22.60270 8.715777 30.12730       27.27398 54.11000       44.65074 15.85321       34.44719 27.26861 10.95310 20.81359 9.054168 6.455015       14.21085 
1 1 1 -13 43 5  o 25.38300 7.540682 39.58706       20.09927 -23.99000      45.25202 55.21211       22.43357 18.51618 8.852082 29.96610 7.629373 -11.44992      11.68617 
1 1 1 -13 43 6  o 37.16835 6.550996 79.66996       22.96292 -8.985000      46.04795 109.0133       26.49192 19.84602 9.320561 43.74693 6.373969 -23.90091      11.29160 
1 1 1 -13 43 7  o 49.38919 7.914066 148.5000       36.96785 0.000000       0.000000 148.5000       36.96785 ?        ?        49.38919 7.914066 ?              ?        
1 1 1 -13 43 8  o 41.05562 6.587743 97.10043       25.57863 21.80000       47.66195 127.5609       30.31384 23.02412 10.30109 46.91537 6.799075 -23.89125      12.34260 
1 1 1 -13 43 9  o 23.08346 8.163904 32.71056       23.03174 56.12000       46.24141 24.98713       26.56078 27.45969 11.10517 21.39189 8.495986 6.067802       13.98237 
1 1 1 -13 43 10 o 27.59541 8.207514 48.58023       23.80024 0.000000       0.000000 48.58023       23.80024 ?        ?        27.59541 8.207514 ?              ?        
1 1 1 -13 43 11 o 18.97553 7.868891 15.02835       23.96040 0.000000       0.000000 15.02835       23.96040 ?        ?        18.97553 7.868891 ?              ?        
1 1 1 -13 43 12 o 20.16809 7.747948 21.94930       21.49646 -79.58000      47.02121 48.77563       24.17012 15.55164 7.747688 27.58316 8.286997 -12.03152      11.34465 
1 1 1 -13 43 13 o 22.81848 7.971237 31.91183       21.91012 -0.6244000     46.55345 41.16941       24.83232 20.55770 9.561215 25.26197 8.496619 -4.704275      12.79099 
1 1 1 -13 43 14 o 23.38116 8.007815 34.11110       22.06673 -27.37000      46.23243 52.24966       25.11177 18.28997 8.797226 28.30236 8.433762 -10.01239      12.18686 
1 1 1 -13 43 15 o 25.27985 8.970713 42.54348       27.82874 33.01000       47.68731 47.46672       34.26910 24.01299 10.54447 26.04159 9.835302 -2.028601      14.41940 
1 1 1 -13 43 16 o 13.47331 6.402689 -18.43733      22.95205 -33.51000      45.52563 -13.30064      26.57681 17.66467 8.553642 15.15472 7.105734 2.509947       11.12008 
1 1 1 -13 43 17 o 22.39691 8.637174 30.80835       26.78593 64.54000       46.80923 14.38484       32.66223 28.13711 11.24439 20.01093 8.758526 8.126184       14.25300 
1 1 1 -13 43 18 o 33.56023 7.296414 68.92580       23.28351 13.09000       47.25943 86.82281       26.75608 21.53613 9.878744 37.53534 7.544379 -15.99921      12.43009 
1 1 1 -13 43 19 o 30.48096 8.580355 62.33524       26.67754 34.81000       45.72481 76.54011       32.84771 23.68011 10.36376 32.61716 9.627259 -8.937052      14.14537 
1 1 1 -13 43 20 o 13.14487 6.363902 -27.63585      25.17109 -37.95000      42.66094 -22.12756      31.17612 16.58004 8.085544 15.29850 7.322879 1.281542       10.90874 
1 1 1 -13 43 21 o 22.93787 9.121785 34.21622       30.65584 45.72000       43.78038 23.15000       42.93967 24.93208 10.50817 21.97479 9.808300 2.957287       14.37444 
1 1 1 -13 44 1  o 15.51669 6.724406 4.023254       18.85254 -25.44000      42.67694 11.16682       21.01409 17.81471 8.538093 17.53491 7.328084 0.2797985      11.25166 
1 1 1 -13 44 2  o 16.56511 6.941929 8.934000       18.93653 26.03000       43.03127 4.828113       21.08824 22.94785 10.04831 16.29467 7.086347 6.653181       12.29572 
1 1 1 -13 44 3  f 17.84971 7.225642 13.93051       19.59759 -47.54000      44.70001 28.55774       21.80496 16.70026 8.172528 21.83972 7.917466 -5.139460      11.37877 
1 1 1 -13 44 4  o 20.98178 7.570956 25.76670       19.90860 70.71000       46.22220 15.52994       22.05968 29.54192 11.35816 18.65212 7.622917 10.88980       13.67906 
1 1 1 -13 44 5  o 18.12939 8.000470 6.671842       27.77050 25.39000       46.50730 -3.700482      34.62004 23.06976 10.25789 18.17278 8.379272 4.896975       13.24524 
1 1 1 -13 44 6  o 20.35113 7.801850 23.07712       21.76536 48.00000       44.83622 15.39322       24.89548 25.89643 10.75374 19.07018 7.973409 6.826250       13.38724 
1 1 1 -13 44 7  o 21.47530 8.019949 27.33471       22.64902 83.03000       46.42929 9.942331       25.94551 31.54534 11.53560 18.25600 7.900103 13.28934       13.98148 
1 1 1 -13 44 8  o 23.01892 8.133747 33.20451       22.85774 63.00000       47.97525 24.45457       25.99827 27.96144 11.31024 21.02044 8.386780 6.941000       14.08047 
1 1 1 -13 44 9  o 20.12781 7.912485 21.92877       22.82368 0.000000       0.000000 21.92877       22.82368 ?        ?        20.12781 7.912485 ?              ?        
1 1 1 -13 44 10 o 16.30119 7.264645 1.777606       23.46089 0.000000       0.000000 1.777606       23.46089 ?        ?        16.30119 7.264645 ?              ?        
1 1 1 -13 44 11 o 15.83626 6.986445 2.783029       21.16219 -24.79000      45.13555 10.55226       23.95882 18.10608 8.704524 17.88867 7.664511 0.2174168      11.59799 
1 1 1 -13 44 12 o 27.55852 8.563211 50.88699       25.52774 15.66000       45.66968 66.89491       30.78631 21.63535 9.842647 30.79848 9.374156 -9.163130      13.59237 
1 1 1 -13 44 13 o 25.52430 8.176510 42.73528       23.11024 11.12000       45.23685 53.90060       26.88310 21.04733 9.658422 28.07130 8.797582 -7.023975      13.06455 
1 1 1 -13 44 14 o 12.76158 6.196397 -29.17528      24.31954 -57.45000      41.87698 -14.78687      29.87325 15.31459 7.574202 15.71659 7.419939 -0.4020004     10.60302 
1 1 1 -13 44 15 o 12.88257 6.187510 -22.05377      22.68450 -41.47000      41.85819 -13.98010      26.99189 16.19745 7.922659 15.02369 7.080655 1.173766       10.62564 
1 1 1 -13 44 16 o 37.08813 7.804913 87.29121       27.43566 107.9000       46.37643 76.19542       34.02907 35.29311 11.60417 31.87472 9.883928 3.418388       15.24299 
1 1 1 -13 44 17 o 15.36746 7.131053 -7.754326      25.67007 15.60000       42.08415 -21.59217      32.39434 20.95592 9.499907 15.60552 7.468426 5.350396       12.08411 
1 1 1 -13 44 18 f 23.66193 10.19966 39.01000       42.91757 39.01000       42.91757 0.000000       0.000000 23.66193 10.19966 ?        ?        ?              ?        
1 1 1 -13 45 1  o 37.50407 5.920732 80.34201       21.01466 36.54000       42.97134 94.11053       24.09215 23.74146 10.21973 40.24860 6.323594 -16.50714      12.01793 
1 1 1 -13 45 2  o 26.33286 7.455709 43.77158       20.08264 -5.323000      42.56781 57.82736       22.77676 19.08204 8.961661 30.17509 7.690151 -11.09305      11.80889 
1 1 1 -13 45 3  o 21.24794 7.653333 27.57704       20.33331 5.523000       42.51634 34.11708       23.15273 20.08408 9.269589 23.01135 8.180725 -2.927275      12.36323 
1 1 1 -13 45 4  f 23.30091 8.084368 35.09163       22.51628 7.634000       42.93381 45.50864       26.44474 20.33161 9.358998 25.76726 8.767609 -5.435656      12.82427 
1 1 1 -13 45 5  o 18.24530 7.535141 14.99147       21.84776 30.90000       42.81546 9.390847       25.40409 22.93284 10.03287 17.83253 7.766154 5.100309       12.68746 
1 1 1 -13 45 6  f 18.88872 8.078430 14.51626       26.52904 24.81000       41.70335 7.519179       34.38291 22.06320 9.767120 19.09791 8.629109 2.965284       13.03296 
1 1 1 -13 45 7  o 19.82568 8.035968 21.05326       24.27563 0.000000       0.000000 21.05326       24.27563 ?        ?        19.82568 8.035968 ?              ?        
1 1 1 -13 45 8  o 25.53005 8.916018 45.53918       27.41055 0.000000       0.000000 45.53918       27.41055 ?        ?        25.53005 8.916018 ?              ?        
1 1 1 -13 45 9  o 33.47507 7.582819 70.80551       24.26794 27.25000       44.76405 88.93507       28.88028 22.40236 10.00577 36.94263 8.200658 -14.54027      12.93701 
1 1 1 -13 45 10 o 19.38808 7.736678 20.47791       22.12733 -29.20000      42.76709 38.63763       25.85727 17.06813 8.270885 23.84735 8.625096 -6.779221      11.94989 
1 1 1 -13 45 11 o 18.83600 7.820992 16.97033       23.71201 -28.15000      43.14815 36.49266       28.38193 17.21817 8.335010 23.25276 8.910419 -6.034590      12.20115 
1 1 1 -13 45 12 o 35.32301 7.355616 77.70115       24.60469 66.52000       44.60931 82.58990       29.49724 27.74579 11.01339 34.89894 8.672937 -7.153154      14.01836 
1 1 1 -13 45 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -13 46 1  o 21.99336 9.786176 27.75000       42.40434 27.75000       42.40434 0.000000       0.000000 21.99336 9.786176 ?        ?        ?              ?        
1 1 1 -12 0  1  o 200.8782 5.898900 1981.057       115.7607 1981.057       115.7607 1981.057       115.7607 200.8782 5.898900 200.8782 5.898900 0.000000       0.000000 
1 1 1 -12 0  2  o 540.3674 14.33280 14366.73       756.8946 14366.73       756.8946 14366.73       756.8946 540.3674 14.33280 540.3674 14.33280 0.000000       0.000000 
1 1 1 -12 0  3  o 133.8200 4.588780 879.8097       59.94651 879.8097       59.94651 879.8097       59.94651 133.8200 4.588780 133.8200 4.588780 0.000000       0.000000 
1 1 1 -12 0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 0  5  o 124.4946 4.507700 761.7670       54.76667 761.7670       54.76667 761.7670       54.76667 124.4946 4.507700 124.4946 4.507700 0.000000       0.000000 
1 1 1 -12 0  6  o 38.17715 7.586569 79.27134       25.18244 79.27134       25.18244 79.27134       25.18244 38.17715 7.586569 38.17715 7.586569 0.000000       0.000000 
1 1 1 -12 0  7  o 205.6998 6.047727 2077.495       121.5294 2077.495       121.5294 2077.495       121.5294 205.6998 6.047727 205.6998 6.047727 0.000000       0.000000 
1 1 1 -12 0  8  o 299.7387 8.248664 4412.415       241.5952 4412.415       241.5952 4412.415       241.5952 299.7387 8.248664 299.7387 8.248664 0.000000       0.000000 
1 1 1 -12 0  9  o 139.7348 4.827521 959.4627       65.85017 959.4627       65.85017 959.4627       65.85017 139.7348 4.827521 139.7348 4.827521 0.000000       0.000000 
1 1 1 -12 0  10 o 460.2499 12.27849 10421.54       552.2625 10421.54       552.2625 10421.54       552.2625 460.2499 12.27849 460.2499 12.27849 0.000000       0.000000 
1 1 1 -12 0  11 o 384.7893 10.37196 7279.577       390.0104 7279.577       390.0104 7279.577       390.0104 384.7893 10.37196 384.7893 10.37196 0.000000       0.000000 
1 1 1 -12 0  12 o 256.5962 7.240358 3234.136       181.5238 3234.136       181.5238 3234.136       181.5238 256.5962 7.240358 256.5962 7.240358 0.000000       0.000000 
1 1 1 -12 0  13 o 360.8327 9.776458 6402.104       344.7246 6402.104       344.7246 6402.104       344.7246 360.8327 9.776458 360.8327 9.776458 0.000000       0.000000 
1 1 1 -12 0  14 o 189.8521 5.759036 1770.559       106.7985 1770.559       106.7985 1770.559       106.7985 189.8521 5.759036 189.8521 5.759036 0.000000       0.000000 
1 1 1 -12 0  15 o 36.91059 8.869006 77.27250       27.78759 77.27250       27.78759 77.27250       27.78759 36.91059 8.869006 36.91059 8.869006 0.000000       0.000000 
1 1 1 -12 0  16 o 187.3774 5.727001 1725.082       104.8167 1725.082       104.8167 1725.082       104.8167 187.3774 5.727001 187.3774 5.727001 0.000000       0.000000 
1 1 1 -12 0  17 o 175.4535 5.496749 1512.739       94.19049 1512.739       94.19049 1512.739       94.19049 175.4535 5.496749 175.4535 5.496749 0.000000       0.000000 
1 1 1 -12 0  18 o 129.7912 4.757548 828.5177       60.25689 828.5177       60.25689 828.5177       60.25689 129.7912 4.757548 129.7912 4.757548 0.000000       0.000000 
1 1 1 -12 0  19 o 142.6676 4.970768 1000.826       69.22401 1000.826       69.22401 1000.826       69.22401 142.6676 4.970768 142.6676 4.970768 0.000000       0.000000 
1 1 1 -12 0  20 o 205.5481 6.128242 2076.863       123.0497 2076.863       123.0497 2076.863       123.0497 205.5481 6.128242 205.5481 6.128242 0.000000       0.000000 
1 1 1 -12 0  21 o 312.1448 8.620711 4797.062       262.9395 4797.062       262.9395 4797.062       262.9395 312.1448 8.620711 312.1448 8.620711 0.000000       0.000000 
1 1 1 -12 0  22 o 73.35782 5.100226 267.5276       36.20833 267.5276       36.20833 267.5276       36.20833 73.35782 5.100226 73.35782 5.100226 0.000000       0.000000 
1 1 1 -12 0  23 o 116.3911 4.752071 667.1461       53.93327 667.1461       53.93327 667.1461       53.93327 116.3911 4.752071 116.3911 4.752071 0.000000       0.000000 
1 1 1 -12 0  24 o 197.9451 6.005116 1926.995       116.1091 1926.995       116.1091 1926.995       116.1091 197.9451 6.005116 197.9451 6.005116 0.000000       0.000000 
1 1 1 -12 0  25 o 240.5928 9.816534 2864.000       230.3016 2864.000       230.3016 2864.000       230.3016 240.5928 9.816534 240.5928 9.816534 0.000000       0.000000 
1 1 1 -12 0  26 o 63.67509 9.680100 212.8000       56.20574 212.8000       56.20574 212.8000       56.20574 63.67509 9.680100 63.67509 9.680100 0.000000       0.000000 
1 1 1 -12 0  27 o 216.3784 6.421670 2304.440       135.7379 2304.440       135.7379 2304.440       135.7379 216.3784 6.421670 216.3784 6.421670 0.000000       0.000000 
1 1 1 -12 0  28 o 30.08919 11.01767 59.46847       29.93508 59.46847       29.93508 59.46847       29.93508 30.08919 11.01767 30.08919 11.01767 0.000000       0.000000 
1 1 1 -12 0  29 o 57.86182 9.914174 178.8000       51.20708 178.8000       51.20708 178.8000       51.20708 57.86182 9.914174 57.86182 9.914174 0.000000       0.000000 
1 1 1 -12 0  30 o 101.1572 7.144920 510.8000       69.91987 510.8000       69.91987 510.8000       69.91987 101.1572 7.144920 101.1572 7.144920 0.000000       0.000000 
1 1 1 -12 0  31 o 167.2688 5.475701 1378.517       89.43434 1378.517       89.43434 1378.517       89.43434 167.2688 5.475701 167.2688 5.475701 0.000000       0.000000 
1 1 1 -12 0  32 o 84.65270 6.475742 358.8000       52.91769 358.8000       52.91769 358.8000       52.91769 84.65270 6.475742 84.65270 6.475742 0.000000       0.000000 
1 1 1 -12 0  33 o 14.88961 9.636036 -0.6272000     33.05691 -0.6272000     33.05691 -0.6272000     33.05691 14.88961 9.636036 14.88961 9.636036 0.000000       0.000000 
1 1 1 -12 0  34 o 126.8774 4.959429 795.0926       61.37755 795.0926       61.37755 795.0926       61.37755 126.8774 4.959429 126.8774 4.959429 0.000000       0.000000 
1 1 1 -12 0  35 o 18.45487 10.38067 23.02549       28.44561 23.02549       28.44561 23.02549       28.44561 18.45487 10.38067 18.45487 10.38067 0.000000       0.000000 
1 1 1 -12 0  36 f 28.94026 11.16081 57.01690       29.96368 57.01690       29.96368 57.01690       29.96368 28.94026 11.16081 28.94026 11.16081 0.000000       0.000000 
1 1 1 -12 0  37 o 54.95605 6.567998 155.7292       33.99886 155.7292       33.99886 155.7292       33.99886 54.95605 6.567998 54.95605 6.567998 0.000000       0.000000 
1 1 1 -12 0  38 o 7.351699 5.411378 -79.79038      27.46119 -79.79038      27.46119 -79.79038      27.46119 7.351699 5.411378 7.351699 5.411378 0.000000       0.000000 
1 1 1 -12 0  39 o 90.52053 5.110596 408.4853       44.94926 408.4853       44.94926 408.4853       44.94926 90.52053 5.110596 90.52053 5.110596 0.000000       0.000000 
1 1 1 -12 0  40 o 101.3745 5.092918 511.7360       50.24363 511.7360       50.24363 511.7360       50.24363 101.3745 5.092918 101.3745 5.092918 0.000000       0.000000 
1 1 1 -12 0  41 o 87.75625 5.278617 385.2504       44.96297 385.2504       44.96297 385.2504       44.96297 87.75625 5.278617 87.75625 5.278617 0.000000       0.000000 
1 1 1 -12 0  42 o 47.94633 8.531237 125.6893       36.26154 125.6893       36.26154 125.6893       36.26154 47.94633 8.531237 47.94633 8.531237 0.000000       0.000000 
1 1 1 -12 0  43 o 15.07238 9.688114 3.047790       32.67739 3.047790       32.67739 3.047790       32.67739 15.07238 9.688114 15.07238 9.688114 0.000000       0.000000 
1 1 1 -12 0  44 o 36.52525 11.22447 84.92741       35.08632 84.92741       35.08632 84.92741       35.08632 36.52525 11.22447 36.52525 11.22447 0.000000       0.000000 
1 1 1 -12 0  45 o 34.04148 11.81724 78.17076       35.53635 78.17076       35.53635 78.17076       35.53635 34.04148 11.81724 34.04148 11.81724 0.000000       0.000000 
1 1 1 -12 0  46 o 20.55121 11.55614 32.02673       35.23811 32.02673       35.23811 32.02673       35.23811 20.55121 11.55614 20.55121 11.55614 0.000000       0.000000 
1 1 1 -12 0  47 o 21.42615 13.20166 28.24000       54.01865 28.24000       54.01865 28.24000       54.01865 21.42615 13.20166 21.42615 13.20166 0.000000       0.000000 
1 1 1 -12 0  48 o 67.20705 10.35840 252.9000       63.33189 252.9000       63.33189 252.9000       63.33189 67.20705 10.35840 67.20705 10.35840 0.000000       0.000000 
1 1 1 -12 0  49 o 81.71195 5.578019 339.7991       44.12896 339.7991       44.12896 339.7991       44.12896 81.71195 5.578019 81.71195 5.578019 0.000000       0.000000 
1 1 1 -12 0  50 o 82.80688 7.577405 360.7000       60.17318 360.7000       60.17318 360.7000       60.17318 82.80688 7.577405 82.80688 7.577405 0.000000       0.000000 
1 1 1 -12 0  51 o 16.86560 10.25341 17.24296       31.61672 17.24296       31.61672 17.24296       31.61672 16.86560 10.25341 16.86560 10.25341 0.000000       0.000000 
1 1 1 -12 0  52 o 42.15569 9.768801 106.2365       35.06644 106.2365       35.06644 106.2365       35.06644 42.15569 9.768801 42.15569 9.768801 0.000000       0.000000 
1 1 1 -12 0  53 o 68.86996 6.061201 246.4318       40.09920 246.4318       40.09920 246.4318       40.09920 68.86996 6.061201 68.86996 6.061201 0.000000       0.000000 
1 1 1 -12 0  54 o 53.62408 7.433624 156.2503       36.88036 156.2503       36.88036 156.2503       36.88036 53.62408 7.433624 53.62408 7.433624 0.000000       0.000000 
1 1 1 -12 0  55 o 61.06517 6.716949 197.8300       38.91241 197.8300       38.91241 197.8300       38.91241 61.06517 6.716949 61.06517 6.716949 0.000000       0.000000 
1 1 1 -12 0  56 o 26.90434 14.54119 66.93000       53.39178 66.93000       53.39178 66.93000       53.39178 26.90434 14.54119 26.90434 14.54119 0.000000       0.000000 
1 1 1 -12 0  57 o 26.54832 12.02398 56.84432       33.67261 56.84432       33.67261 56.84432       33.67261 26.54832 12.02398 26.54832 12.02398 0.000000       0.000000 
1 1 1 -12 0  58 o 20.53304 11.29449 35.21794       32.79672 35.21794       32.79672 35.21794       32.79672 20.53304 11.29449 20.53304 11.29449 0.000000       0.000000 
1 1 1 -12 0  59 o 24.08916 11.92167 49.28334       33.79866 49.28334       33.79866 49.28334       33.79866 24.08916 11.92167 24.08916 11.92167 0.000000       0.000000 
1 1 1 -12 0  60 o 37.19590 15.10088 114.8000       53.85576 114.8000       53.85576 114.8000       53.85576 37.19590 15.10088 37.19590 15.10088 0.000000       0.000000 
1 1 1 -12 0  61 o 17.56385 11.26101 15.85000       43.79710 15.85000       43.79710 15.85000       43.79710 17.56385 11.26101 17.56385 11.26101 0.000000       0.000000 
1 1 1 -12 1  1  o 466.3960 8.748365 10671.51       399.3815 10689.87       565.8483 10653.29       563.7789 466.0695 12.41452 465.2757 12.39022 0.7938232      17.53961 
1 1 1 -12 1  2  f 250.5468 5.740203 3075.417       140.7740 3436.000       261.7708 2928.706       166.9743 264.3458 10.13556 244.3373 6.988760 20.00850       12.31148 
1 1 1 -12 1  3  o 312.6557 6.020392 4789.698       184.2457 4830.488       262.1434 4749.878       259.0104 313.6859 8.545599 311.0590 8.514848 2.626892       12.06358 
1 1 1 -12 1  4  o 571.0572 10.64440 16018.24       594.9864 15860.98       835.5781 16179.99       847.4226 567.0194 15.06843 572.6783 15.13087 -5.658875      21.35417 
1 1 1 -12 1  5  o 242.8530 4.846265 2888.664       115.2012 2841.410       161.2830 2937.886       164.6059 240.6689 6.853378 244.7217 6.878564 -4.052811      9.709966 
1 1 1 -12 1  6  o 62.13756 3.469808 189.6313       21.02023 167.1965       29.10128 214.1053       30.39510 58.19490 5.162328 65.94714 4.740328 -7.752239      7.008590 
1 1 1 -12 1  7  o 433.8749 8.169211 9234.433       346.9372 9249.097       491.1856 9219.832       490.1028 433.5607 11.58454 432.8752 11.57733 0.6855164      16.37792 
1 1 1 -12 1  8  o 345.4810 6.604044 5850.752       223.3265 5889.881       317.2634 5812.321       314.4186 346.2316 9.370148 343.9460 9.347914 2.285675       13.23568 
1 1 1 -12 1  9  o 256.4345 5.088270 3221.537       127.7182 3157.106       178.2664 3289.487       183.0711 253.6301 7.187878 258.8928 7.231349 -5.262726      10.19598 
1 1 1 -12 1  10 o 36.14417 5.703858 65.58244       19.51115 69.73080       27.52450 61.39257       27.66189 37.00307 7.843205 34.67670 8.266802 2.326374       11.39543 
1 1 1 -12 1  11 o 537.4574 10.05109 14201.65       528.7661 14337.22       752.9158 14069.71       742.7638 538.5849 14.29454 533.5549 14.23487 5.030029       20.17338 
1 1 1 -12 1  12 o 285.5477 5.582596 3996.606       156.0347 4038.928       222.2054 3955.437       219.1589 286.7271 7.924947 283.7494 7.898427 2.977722       11.18883 
1 1 1 -12 1  13 o 33.14802 6.133781 55.60073       19.16896 54.16209       26.85981 57.09403       27.36528 32.59324 8.374685 33.44338 8.378035 -0.8501396     11.84596 
1 1 1 -12 1  14 o 432.2486 8.161084 9179.042       345.2929 9103.271       485.5029 9256.596       491.1824 429.4886 11.55923 433.0811 11.59734 -3.592468      16.37419 
1 1 1 -12 1  15 o 285.2430 5.585189 3989.869       155.9406 3936.401       218.5225 4045.351       222.6006 282.9395 7.898080 286.8248 7.936357 -3.885284      11.19667 
1 1 1 -12 1  16 o 102.1432 3.193909 511.4741       31.89363 512.1285       44.87823 510.8063       45.33405 102.1243 4.500580 101.9881 4.552654 0.1361237      6.401709 
1 1 1 -12 1  17 o 195.3719 4.148582 1870.525       79.33559 1837.024       110.9560 1905.568       113.4815 193.4009 5.867983 196.9764 5.892416 -3.575470      8.315876 
1 1 1 -12 1  18 o 47.90715 4.444817 113.4666       20.60532 100.4607       28.65136 127.4000       29.65521 44.72890 6.754380 50.58035 6.113712 -5.851448      9.110386 
1 1 1 -12 1  19 o 129.2012 3.361476 818.3197       42.47504 806.4812       59.53581 830.5919       60.61633 128.1568 4.754269 130.0596 4.769546 -1.902802      6.734363 
1 1 1 -12 1  20 o 175.1380 3.880743 1503.295       66.52752 1484.720       93.44344 1522.388       94.73817 173.8441 5.498309 176.0369 5.504896 -2.192825      7.780442 
1 1 1 -12 1  21 o 174.8385 3.889885 1498.325       66.57023 1522.678       94.92487 1474.757       93.38311 176.0339 5.515866 173.2392 5.514033 2.794693       7.799316 
1 1 1 -12 1  22 o 227.8273 4.669997 2546.219       104.1426 2527.516       146.4695 2565.343       148.1040 226.6307 6.609772 228.3171 6.634113 -1.686432      9.364857 
1 1 1 -12 1  23 o 270.9516 5.377413 3604.689       142.6170 3597.119       201.2962 3612.318       202.0879 270.1212 7.620879 270.6881 7.634823 -0.5669250     10.78742 
1 1 1 -12 1  24 o 111.6268 4.557820 612.3473       49.69553 612.0000       70.00742 612.7000       70.55598 111.3667 6.449777 111.4238 6.497374 -0.5715179E-01 9.155080 
1 1 1 -12 1  25 o 107.0203 3.960980 562.4082       41.42144 628.9000       76.48037 534.8088       49.27374 112.8059 6.960369 104.2707 4.840990 8.535233       8.478320 
1 1 1 -12 1  26 o 205.0352 4.372762 2062.804       87.75877 1976.229       121.5675 2157.020       126.8183 200.3292 6.207137 209.3023 6.196980 -8.973160      8.771038 
1 1 1 -12 1  27 o 226.6503 5.431965 2525.156       120.5090 2538.302       147.7223 2499.000       208.3629 226.8954 6.658621 224.2711 9.513240 2.624268       11.61202 
1 1 1 -12 1  28 o 279.1667 6.413041 3839.344       175.2402 3819.917       213.8987 3879.000       305.6100 277.8911 7.871634 278.5129 11.23331 -0.6217651     13.71678 
1 1 1 -12 1  29 f 96.16992 3.949171 454.6759       37.09595 441.1324       44.54991 485.3000       66.99041 94.61897 4.826133 98.90792 6.964024 -4.288956      8.472850 
1 1 1 -12 1  30 o 40.91351 6.552189 84.65309       25.35456 82.61000       47.84111 85.45107       29.89876 40.07286 11.56002 40.88146 7.755380 -0.8086052     13.92049 
1 1 1 -12 1  31 o 77.68439 4.987791 298.2874       37.72658 0.000000       0.000000 298.2874       37.72658 ?        ?        77.68439 4.987791 ?              ?        
1 1 1 -12 1  32 o 29.24039 7.614721 44.07730       22.00615 63.56000       34.94380 31.27204       28.32955 35.06204 9.802377 26.20561 9.069384 8.856428       13.35441 
1 1 1 -12 1  33 o 114.9496 3.447957 649.7393       38.75111 624.7101       53.71337 676.9063       55.96035 112.4426 4.891991 117.0535 4.894963 -4.610863      6.920422 
1 1 1 -12 1  34 o 36.15141 6.668099 67.00581       22.72664 78.26216       29.12446 49.48000       36.34112 38.86119 7.925497 31.56082 10.26584 7.300373       12.96923 
1 1 1 -12 1  35 o 83.02471 3.528744 339.7998       28.61161 329.6054       40.10391 350.3676       40.83176 81.45913 5.054586 84.01067 4.987889 -2.551537      7.101259 
1 1 1 -12 1  36 o 103.1359 3.459309 524.2678       34.87308 486.6208       48.30648 565.2419       50.39581 98.97817 5.002304 106.7429 4.835917 -7.764679      6.957667 
1 1 1 -12 1  37 o 77.72968 3.646277 298.6042       27.66500 316.6526       39.64414 281.4724       38.62422 79.68273 5.109795 75.05618 5.291261 4.626556       7.355776 
1 1 1 -12 1  38 o 90.56134 3.517305 405.1756       31.11949 411.3875       44.52937 399.2455       43.50763 90.81411 5.029053 89.47385 4.987527 1.340263       7.082853 
1 1 1 -12 1  39 o 123.1885 3.537938 749.8798       42.61636 769.2592       61.03886 731.4485       59.52684 124.1675 5.032608 121.0721 5.033975 3.095436       7.118149 
1 1 1 -12 1  40 o 107.8845 3.529489 575.7181       37.22136 598.4778       53.22561 553.9350       52.07127 109.4296 4.982193 105.2313 5.070218 4.198212       7.108400 
1 1 1 -12 1  41 o 43.72426 5.750042 97.62067       24.01347 101.3798       33.90306 93.83609       34.01759 43.69435 8.228798 41.86446 8.589661 1.829891       11.89518 
1 1 1 -12 1  42 o 78.37804 3.899858 305.5387       29.82519 339.7278       42.78858 273.2303       41.59510 82.08942 5.354405 73.37649 5.839476 8.712929       7.922698 
1 1 1 -12 1  43 o 69.76534 4.155317 243.1129       28.24737 264.8593       40.36251 222.2378       39.54563 72.17471 5.761086 65.87704 6.205907 6.297668       8.467786 
1 1 1 -12 1  44 o 57.36804 4.752871 166.2485       26.44968 186.0838       37.75412 147.1292       37.06635 59.91518 6.543826 52.80859 7.371409 7.106583       9.856943 
1 1 1 -12 1  45 o 54.92213 4.977299 153.4693       26.46739 122.9071       36.82066 186.1437       38.07179 47.57638 8.202844 59.69783 6.626878 -12.12145      10.54524 
1 1 1 -12 1  46 o 43.84404 7.299788 103.3525       30.22660 103.0848       35.93546 104.0000       55.88988 42.93485 8.845285 40.81751 12.66856 2.117336       15.45094 
1 1 1 -12 1  47 f 44.40117 7.260092 106.3054       30.46371 66.92789       35.87033 208.2000       57.70146 33.87619 10.07612 60.15687 10.16083 -26.28068      14.30981 
1 1 1 -12 1  48 o 35.24440 8.684317 70.59277       29.76216 81.11000       57.04980 66.66013       34.88557 36.02193 12.83782 33.72738 9.912537 2.294556       16.21937 
1 1 1 -12 1  49 o 37.21798 9.452331 80.79350       34.49452 0.000000       0.000000 80.79350       34.49452 ?        ?        37.21798 9.452331 ?              ?        
1 1 1 -12 1  50 o 43.42290 5.985220 99.70569       24.76338 125.5026       35.04815 73.98943       34.99334 47.67442 7.778545 35.26867 9.790532 12.40574       12.50441 
1 1 1 -12 1  51 o 44.31788 6.538826 105.5633       27.51409 76.87045       34.37722 156.7000       45.89339 35.93032 9.594276 51.96080 9.367914 -16.03048      13.40925 
1 1 1 -12 1  52 o 31.82911 7.700028 57.52732       23.72612 62.64702       33.95956 52.64520       33.16224 32.13136 9.858171 29.71397 9.814667 2.417383       13.91083 
1 1 1 -12 1  53 o 66.21617 4.310627 224.1024       27.78712 208.5348       39.14074 239.9210       39.45499 62.20495 6.525342 67.16325 6.066906 -4.958305      8.909963 
1 1 1 -12 1  54 o 19.27492 7.805566 13.14320       22.87957 23.66034       32.18321 2.396331       32.53281 23.19984 9.305831 19.75740 8.691401 3.442434       12.73338 
1 1 1 -12 1  55 o 24.32738 8.709846 32.42622       26.29030 26.10015       33.02048 43.38000       43.45089 23.69996 9.453152 27.81721 10.92279 -4.117256      14.44540 
1 1 1 -12 1  56 o 54.74602 5.044239 156.3759       26.72680 148.5013       37.37678 164.6152       38.23256 51.36641 7.668387 54.37041 7.373853 -3.004002      10.63851 
1 1 1 -12 1  57 o 21.57548 8.535314 20.67190       26.70865 11.29038       32.41449 40.51000       47.13599 20.94286 8.942594 27.48362 11.17643 -6.540754      14.31372 
1 1 1 -12 1  58 o 21.51736 8.063129 23.22211       22.93355 51.26327       32.52507 -4.503562      32.34159 28.90983 9.724042 18.59992 8.389800 10.30991       12.84312 
1 1 1 -12 1  59 o 30.24326 8.879352 55.78527       28.00464 44.13135       33.63507 82.12000       50.56161 27.08388 9.831311 34.02411 12.08997 -6.940224      15.58275 
1 1 1 -12 1  60 o 24.25142 8.789711 33.75851       26.87191 42.56000       45.71764 29.11265       33.21534 27.00855 10.99814 23.76929 9.480938 3.239260       14.52058 
1 1 1 -12 1  61 o 13.80125 6.774133 -49.31269      31.42599 0.000000       0.000000 -49.31269      31.42599 ?        ?        13.80125 6.774133 ?              ?        
1 1 1 -12 2  1  f 596.7523 11.12159 17497.02       649.6317 17635.04       925.4845 17362.98       912.0977 597.6995 15.83298 593.1025 15.72493 4.596985       22.31494 
1 1 1 -12 2  2  f 605.9957 11.27915 18045.57       669.0398 18190.68       951.6703 17903.78       940.7544 606.9731 16.03213 602.1833 15.97442 4.789856       22.63209 
1 1 1 -12 2  3  o 566.8130 10.56783 15780.14       586.3161 16004.66       837.8842 15564.71       820.7342 569.5941 15.04155 561.7352 14.93999 7.858826       21.20027 
1 1 1 -12 2  4  o 287.2292 5.586833 4041.798       157.0726 4101.925       224.4156 3984.055       219.9211 289.1001 7.937977 284.9175 7.893329 4.182587       11.19447 
1 1 1 -12 2  5  o 360.7770 6.867149 6380.178       242.5055 6474.413       346.5819 6289.787       339.4387 363.0123 9.762763 357.8040 9.700874 5.208313       13.76294 
1 1 1 -12 2  6  o 226.4957 4.587252 2512.508       101.6995 2534.930       144.8401 2490.703       142.8306 227.3284 6.515941 225.3376 6.482359 1.990845       9.191217 
1 1 1 -12 2  7  o 113.4316 3.150337 630.4209       34.94431 649.1531       49.78487 612.2299       49.06052 115.0441 4.429338 111.7156 4.495728 3.328484       6.311149 
1 1 1 -12 2  8  o 313.9608 6.057257 4830.778       186.1477 4848.492       263.9607 4813.254       262.5502 314.2040 8.590710 313.0611 8.576032 1.142853       12.13872 
1 1 1 -12 2  9  o 198.2997 4.170599 1925.830       80.95181 1914.099       114.2721 1937.648       114.6954 197.5380 5.916612 198.7517 5.902150 -1.213654      8.357133 
1 1 1 -12 2  10 o 207.4890 4.309826 2108.671       87.53081 2086.427       122.9851 2131.504       124.6053 206.2204 6.099472 208.4369 6.113996 -2.216476      8.636232 
1 1 1 -12 2  11 o 188.7866 4.035859 1745.596       74.57846 1743.562       105.3531 1747.639       105.5871 188.5195 5.715928 188.7395 5.721944 -0.2200470     8.087798 
1 1 1 -12 2  12 o 250.9566 5.006933 3086.114       122.9919 3108.591       174.6666 3064.008       173.2161 251.6120 7.099157 249.8006 7.091338 1.811340       10.03420 
1 1 1 -12 2  13 o 65.49600 3.600480 210.7243       22.99363 224.5151       32.25613 196.4765       32.78615 67.50892 4.915076 63.08553 5.360216 4.423389       7.272543 
1 1 1 -12 2  14 o 332.6930 6.398611 5430.000       208.3702 5405.896       293.7138 5454.423       295.6557 331.4348 9.062079 332.9163 9.081358 -1.481476      12.82936 
1 1 1 -12 2  15 o 315.8769 6.108747 4894.951       188.8758 4872.440       266.2101 4917.769       268.0204 314.6557 8.651574 316.1133 8.670202 -1.457550      12.24835 
1 1 1 -12 2  16 o 182.0256 3.951712 1623.365       70.40832 1594.191       98.42148 1653.945       100.7647 180.1982 5.586737 183.5445 5.615283 -3.346359      7.921051 
1 1 1 -12 2  17 o 243.7106 4.900614 2912.189       116.9045 2905.125       164.9005 2919.327       165.7587 243.0941 6.937223 243.6851 6.956419 -0.5909576     9.824298 
1 1 1 -12 2  18 o 138.9047 3.433283 945.2050       46.68020 893.0179       64.06151 1004.284       68.16055 134.8638 4.860786 143.0278 4.875755 -8.164032      6.884782 
1 1 1 -12 2  19 o 203.6092 4.280031 2032.165       85.30028 2045.065       120.9725 2019.410       120.2959 204.0024 6.064957 202.7170 6.069373 1.285385       8.580268 
1 1 1 -12 2  20 o 56.92453 3.953902 159.5853       21.89394 152.4410       30.23459 167.4618       31.74609 55.44244 5.650165 58.13656 5.649892 -2.694122      7.990347 
1 1 1 -12 2  21 o 192.4586 4.127971 1815.911       77.76427 1761.632       107.8957 1874.586       112.1800 189.3107 5.829623 195.2845 5.875375 -5.973816      8.276747 
1 1 1 -12 2  22 o 333.5094 6.443227 5467.873       210.3380 5433.708       296.1081 5502.669       298.8362 331.6046 9.131396 333.6945 9.157748 -2.089966      12.93239 
1 1 1 -12 2  23 o 112.6357 4.595692 623.4191       50.56155 568.7000       69.27441 685.8000       73.96555 107.3290 6.626316 117.9271 6.432164 -10.59801      9.234760 
1 1 1 -12 2  24 o 240.6873 5.662045 2846.039       133.3929 2767.000       228.1806 2887.074       164.4134 236.2006 9.891311 242.0858 6.945616 -5.885178      12.08634 
1 1 1 -12 2  25 f 315.0527 6.136266 4880.944       189.2316 4832.343       265.8967 4930.821       269.3648 312.6170 8.697940 315.7794 8.723023 -3.162384      12.31849 
1 1 1 -12 2  26 o 132.7967 4.086706 865.8672       53.05788 851.5079       64.20254 896.8000       94.23083 131.5852 4.993763 134.7055 7.172490 -3.120316      8.739696 
1 1 1 -12 2  27 o 266.6704 6.164965 3500.152       160.9206 3456.246       195.2963 3593.000       284.0028 264.5145 7.550626 268.3995 10.83248 -3.885071      13.20434 
1 1 1 -12 2  28 o 121.7021 4.678374 728.5313       55.62753 733.9000       76.47855 722.5000       81.05960 121.8806 6.433387 120.8459 6.881211 1.034653       9.420166 
1 1 1 -12 2  29 o 89.01929 3.410634 389.2232       29.66343 363.8709       40.83235 417.5557       43.16566 85.90263 4.876172 92.04948 4.807494 -6.146858      6.847558 
1 1 1 -12 2  30 o 72.48647 4.104571 258.8647       29.00366 240.0000       47.33047 270.2083       36.70208 69.32143 7.074428 73.93217 5.102977 -4.610741      8.722838 
1 1 1 -12 2  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 2  32 o 21.10642 9.050363 -0.8884864     33.45535 -59.72000      48.11900 54.16000       46.54620 19.38276 9.227886 33.89584 11.62954 -14.51307      14.84588 
1 1 1 -12 2  33 o 100.7341 3.377449 499.0322       33.25500 516.4933       47.65072 482.4527       46.43230 102.2398 4.774683 98.79755 4.815908 3.442238       6.781634 
1 1 1 -12 2  34 o 157.7379 3.768079 1224.363       58.17848 1216.495       81.96803 1232.351       82.58909 156.7106 5.351526 157.7277 5.357216 -1.017136      7.572225 
1 1 1 -12 2  35 o 63.80278 4.437156 201.9110       27.53823 175.3117       34.24399 250.6000       46.33022 59.09127 6.003712 70.53322 6.794633 -11.44195      9.067060 
1 1 1 -12 2  36 o 44.15081 5.842142 98.62614       24.62840 108.2269       31.42086 83.33000       39.66031 45.91446 7.230224 39.51060 10.18904 6.403854       12.49371 
1 1 1 -12 2  37 o 52.62286 4.517194 138.1075       23.04258 120.4360       32.39499 156.2045       32.78273 48.45414 7.035823 55.57598 6.127923 -7.121849      9.330286 
1 1 1 -12 2  38 o ?        ?        -72.61093      19.28979 -94.31603      27.51052 -51.61876      27.05495 10.58294 5.356719 12.90319 6.323483 -2.320245      8.287393 
1 1 1 -12 2  39 o 36.39784 6.444308 68.56182       22.11916 67.49472       31.31386 69.62448       31.24869 35.45934 9.006178 36.03028 8.910753 -0.5709381     12.66936 
1 1 1 -12 2  40 o 52.96401 4.762830 140.7762       24.42833 147.0662       34.37796 134.3610       34.71832 53.51461 6.710105 50.95390 7.158165 2.560715       9.811464 
1 1 1 -12 2  41 o 58.37536 4.472330 170.4906       25.36003 200.0174       35.96994 141.3074       35.75998 62.76422 5.925045 52.19852 7.189720 10.56570       9.316557 
1 1 1 -12 2  42 o 79.17049 3.830639 311.5779       29.59716 325.9162       41.86475 297.2506       41.84867 80.39407 5.350532 76.64660 5.617057 3.747475       7.757546 
1 1 1 -12 2  43 o 19.24353 7.735866 10.61323       22.29175 -1.267228      30.76725 23.74120       32.34229 19.63675 8.549372 24.48035 9.477340 -4.843607      12.76369 
1 1 1 -12 2  44 o 32.99105 7.565505 58.76799       23.90928 47.49572       33.62866 70.29063       34.00005 29.74395 9.885556 35.43796 9.576272 -5.694012      13.76333 
1 1 1 -12 2  45 o 30.29876 8.887867 50.89807       28.06887 39.60294       32.99218 80.50000       53.41034 27.64532 9.771599 36.84437 12.46098 -9.199051      15.83541 
1 1 1 -12 2  46 o 16.63101 7.534953 -10.44668      26.42919 -21.11237      31.09667 17.30000       50.15622 16.85657 7.831176 26.14889 11.14346 -9.292320      13.61998 
1 1 1 -12 2  47 o 48.52480 6.599528 124.7256       30.53443 178.4000       60.01997 105.9831       35.46716 54.31628 11.63921 43.53793 8.627548 10.77834       14.48813 
1 1 1 -12 2  48 o 56.30202 5.476575 164.0399       29.80046 122.7000       48.63606 188.8895       37.70792 44.96771 11.11419 59.77838 6.551601 -14.81067      12.90150 
1 1 1 -12 2  49 o 69.23544 4.915066 245.3679       33.09262 200.6000       57.62349 267.3988       40.42334 58.31694 10.48002 71.67791 5.811369 -13.36097      11.98344 
1 1 1 -12 2  50 o 32.27029 8.716696 60.03299       28.17719 83.94000       51.15704 49.62149       33.75975 36.20238 12.19533 29.33388 9.906977 6.868502       15.71223 
1 1 1 -12 2  51 o 48.76310 5.271710 123.7151       24.76265 83.38557       34.80828 165.0395       35.23497 37.51645 9.477296 55.50718 6.615149 -17.99073      11.55765 
1 1 1 -12 2  52 o 55.23761 5.462543 159.8188       29.14862 154.4512       36.84331 168.8000       47.65800 52.99133 7.296582 53.57974 9.431475 -0.5884056     11.92446 
1 1 1 -12 2  53 o 55.36959 4.851181 158.7683       26.02674 143.2875       36.34553 175.0618       37.28727 50.69011 7.555712 56.67770 6.860600 -5.987591      10.20571 
1 1 1 -12 2  54 o 34.56091 8.023459 68.76947       26.61966 60.78848       33.88233 81.64000       43.02718 31.49040 9.877748 35.49307 11.13092 -4.002672      14.88178 
1 1 1 -12 2  55 o 29.85695 7.866684 51.51427       23.30782 56.51416       33.22610 46.67011       32.70456 30.36961 9.811126 28.02636 9.742112 2.343246       13.82631 
1 1 1 -12 2  56 o 49.82055 5.304438 130.5291       25.47020 131.0685       35.71697 129.9710       36.33150 48.05529 7.865069 47.68101 8.072251 0.3742828      11.27034 
1 1 1 -12 2  57 o 48.12671 6.189546 125.0296       28.48326 126.8000       47.76241 124.0525       35.48333 44.17062 11.07014 46.48743 8.091771 -2.316811      13.71221 
1 1 1 -12 2  58 o 24.78889 8.894214 34.56553       27.43102 33.65400       32.91048 36.64000       49.64774 24.99635 9.590832 26.98907 11.27032 -1.992718      14.79879 
1 1 1 -12 2  59 o 17.44406 7.705585 0.2881714      25.82133 8.372000       43.66500 -4.058841      32.01993 22.39740 9.950335 18.47586 8.339610 3.921539       12.98300 
1 1 1 -12 2  60 o 19.32837 8.155306 11.16758       26.41634 -1.819000      44.34195 18.31236       32.88985 21.16732 9.656274 21.79583 9.142320 -0.6285038     13.29758 
1 1 1 -12 2  61 f 21.56877 9.049621 18.64929       32.24020 -43.50000      47.21565 72.94000       44.12967 18.08898 8.747489 31.97589 11.30132 -13.88690      14.29120 
1 1 1 -12 3  1  o 467.3928 8.768845 10718.13       401.1720 10912.77       575.1781 10533.75       559.8193 470.8537 12.49090 462.6237 12.37382 8.229980       17.58221 
1 1 1 -12 3  2  o 392.0798 10.52270 7556.030       403.4737 0.000000       0.000000 7556.030       403.4737 ?        ?        392.0798 10.52270 ?              ?        
1 1 1 -12 3  3  o 365.1342 8.039529 6538.842       287.3355 7721.000       559.5980 6115.572       334.8474 395.5739 14.47690 352.8160 9.705217 42.75787       17.42905 
1 1 1 -12 3  4  o 369.6192 7.021298 6697.256       254.0260 6773.316       362.1489 6623.585       356.4139 371.2705 9.974339 367.1479 9.926724 4.122528       14.07222 
1 1 1 -12 3  5  o 40.39552 4.482762 80.89847       17.42689 45.54337       23.67022 122.7454       25.75184 29.94779 7.944999 49.76757 5.371332 -19.81978      9.590319 
1 1 1 -12 3  6  o 175.7895 3.814835 1513.153       65.64095 1503.249       92.53165 1523.186       93.13188 175.0853 5.405740 176.2436 5.404960 -1.158340      7.644319 
1 1 1 -12 3  7  o 515.1252 9.635037 13030.60       485.8166 13214.37       693.9544 12853.96       680.3447 517.6771 13.70718 510.5867 13.62516 7.090454       19.32697 
1 1 1 -12 3  8  o 267.9033 5.277006 3516.378       138.3795 3537.218       196.6186 3495.925       194.7907 268.4471 7.490042 266.8771 7.464099 1.570038       10.57419 
1 1 1 -12 3  9  o 178.3079 3.886482 1556.990       67.83183 1536.677       95.22383 1577.917       96.64943 177.0009 5.502904 179.3619 5.511612 -2.361008      7.788442 
1 1 1 -12 3  10 o 343.1111 6.569777 5772.583       220.6437 5811.389       313.5523 5734.519       310.5442 343.8068 9.325898 341.5283 9.298111 2.278473       13.16918 
1 1 1 -12 3  11 f 337.3148 6.473776 5579.655       213.7466 5520.035       300.1133 5641.031       304.5012 335.0521 9.159554 338.7011 9.193226 -3.649017      12.97740 
1 1 1 -12 3  12 o 393.6264 7.466377 7604.632       287.6738 7579.834       405.8681 7629.667       407.8032 392.2839 10.57974 393.5685 10.59545 -1.284576      14.97312 
1 1 1 -12 3  13 o 326.0356 6.283519 5213.748       200.5276 5319.825       287.4293 5113.156       279.8983 328.8510 8.937757 322.4063 8.877775 6.444702       12.59756 
1 1 1 -12 3  14 f 296.5630 5.776227 4313.011       167.6747 4280.257       235.9433 4346.431       238.3303 295.0265 8.178237 297.2966 8.197809 -2.270142      11.57962 
1 1 1 -12 3  15 o 172.7300 3.819067 1461.600       64.57009 1445.570       90.63390 1478.122       92.01353 171.6134 5.402248 173.5348 5.423662 -1.921387      7.655089 
1 1 1 -12 3  16 o 290.0303 5.669062 4126.352       160.9388 4006.541       223.1171 4256.303       232.3683 285.3529 7.996002 294.1030 8.079472 -8.750092      11.36723 
1 1 1 -12 3  17 o 294.2926 5.747252 4249.612       165.5563 4171.510       231.1745 4331.843       237.2060 291.0928 8.121325 296.6263 8.177572 -5.533539      11.52513 
1 1 1 -12 3  18 o 149.3482 3.541271 1092.763       51.76847 1069.980       72.24404 1116.809       74.21925 147.6225 5.006940 150.8193 5.034573 -3.196808      7.100449 
1 1 1 -12 3  19 o 61.58101 3.788868 186.5316       22.72766 191.8622       31.23639 180.5349       33.13070 62.32638 5.166533 60.38657 5.671497 1.939812       7.671958 
1 1 1 -12 3  20 o 100.9709 3.257196 499.9896       32.14976 463.3560       43.92978 542.2389       47.17694 97.09138 4.635842 105.0518 4.599107 -7.960472      6.530147 
1 1 1 -12 3  21 o 165.0429 4.335076 1336.589       69.97188 1314.932       85.03554 1382.000       123.1353 163.5919 5.317526 167.3914 7.534560 -3.799438      9.222022 
1 1 1 -12 3  22 o 153.4926 5.188858 1157.729       77.84679 0.000000       0.000000 1157.729       77.84679 ?        ?        153.4926 5.188858 ?              ?        
1 1 1 -12 3  23 o 105.7439 3.751624 548.8182       38.76968 521.7000       63.68148 564.7888       48.87022 102.8147 6.358906 107.1905 4.669010 -4.375854      7.888938 
1 1 1 -12 3  24 o 212.8829 4.449734 2223.271       92.72160 2180.070       129.6753 2268.465       132.6309 210.4598 6.301898 214.6846 6.318447 -4.224838      8.923940 
1 1 1 -12 3  25 o 182.2947 4.653833 1631.965       82.97283 1609.847       100.6083 1679.000       146.7109 180.9014 5.688867 184.2589 8.154638 -3.357468      9.942904 
1 1 1 -12 3  26 o 162.3408 4.382631 1294.207       69.57792 1269.241       84.18992 1348.000       123.5788 160.6308 5.362092 165.1141 7.667274 -4.483292      9.356234 
1 1 1 -12 3  27 o 134.7350 3.525629 890.7320       46.45686 917.4411       66.22630 864.8554       65.18591 136.5721 4.962323 132.5855 5.031996 3.986526       7.067223 
1 1 1 -12 3  28 o 118.2704 3.392270 686.4570       39.23050 641.8985       55.10681 732.2443       55.86149 114.1863 4.942134 122.0063 4.686325 -7.819939      6.810751 
1 1 1 -12 3  29 o 178.1393 4.547240 1560.067       79.22434 1492.000       131.8093 1598.566       99.12840 173.4569 7.783155 180.1118 5.629677 -6.654831      9.605767 
1 1 1 -12 3  30 o 136.8071 4.967594 921.9583       66.41090 1054.000       95.98456 800.7000       91.98167 145.9028 6.739168 126.9597 7.434191 18.94308       10.03412 
1 1 1 -12 3  31 o 103.8241 3.789818 530.1161       38.44973 505.7000       62.84056 544.7267       48.61118 100.9494 6.392431 105.1058 4.737189 -4.156403      7.956390 
1 1 1 -12 3  32 o 54.57346 7.183362 150.3128       37.44127 162.4000       54.48784 139.5000       51.53535 55.94801 10.33013 51.70844 10.54005 4.239578       14.75819 
1 1 1 -12 3  33 o 30.83447 8.253517 49.23624       25.40234 -7.225000      49.35320 69.58478       29.62830 24.68378 10.78587 36.56717 8.447675 -11.88339      13.70030 
1 1 1 -12 3  34 o 89.50970 3.438415 394.5058       30.06950 401.7216       42.81855 387.4848       42.23681 90.05259 4.875873 88.43289 4.898592 1.619698       6.911609 
1 1 1 -12 3  35 o 114.4693 3.461663 645.3403       38.74188 656.6242       55.24665 634.4225       54.34312 115.1019 4.914940 113.1346 4.919061 1.967293       6.953690 
1 1 1 -12 3  36 o 79.32060 4.052322 311.3016       31.35845 308.1573       39.44764 316.7000       51.68777 78.65617 5.152040 79.26585 6.725286 -0.6096802     8.471893 
1 1 1 -12 3  37 o 20.03892 7.862977 12.72853       22.50309 10.66812       28.74538 15.99000       36.16579 21.41368 8.720510 24.32350 9.826729 -2.909824      13.13819 
1 1 1 -12 3  38 o 69.23125 3.866939 237.5873       26.10036 250.6646       37.02943 224.6752       36.79465 70.70256 5.391295 66.82683 5.678800 3.875732       7.830379 
1 1 1 -12 3  39 o 22.98677 7.864949 25.25558       21.28514 17.83824       29.91063 32.86556       30.29655 23.03232 9.056884 26.43559 9.362042 -3.403263      13.02594 
1 1 1 -12 3  40 o 44.73204 5.388731 101.5042       23.11982 96.52036       32.24459 106.7774       33.16767 42.74212 8.001162 45.08497 7.797923 -2.342854      11.17256 
1 1 1 -12 3  41 o 56.05231 4.600429 157.4844       25.01859 170.7216       35.16045 143.9089       35.60703 57.79406 6.318155 52.72089 7.078670 5.073170       9.488237 
1 1 1 -12 3  42 o 88.14618 3.706819 385.7362       31.91101 387.8743       44.76995 383.5280       45.49680 87.77689 5.234526 87.22605 5.354593 0.5508423      7.488119 
1 1 1 -12 3  43 o 15.93022 7.089593 -6.351571      22.26521 -6.452079      30.84958 -6.242293      32.16727 18.88710 8.378744 19.32293 8.564812 -0.4358273     11.98163 
1 1 1 -12 3  44 o 21.40153 8.511447 15.53786       26.69262 14.66589       31.25107 17.89000       51.32681 22.32497 9.092265 26.91267 11.36223 -4.587694      14.55231 
1 1 1 -12 3  45 o 20.01193 7.964451 13.50451       23.38811 49.11031       31.46784 -30.43862      34.95843 29.81793 9.540003 17.17525 8.083372 12.64267       12.50410 
1 1 1 -12 3  46 o 31.27443 7.705791 53.85479       23.43370 53.20113       32.42583 54.56940       33.90408 30.69248 9.668062 31.03400 9.899561 -0.3415260     13.83737 
1 1 1 -12 3  47 o 57.40254 5.335999 169.6474       29.63817 174.2000       48.50026 166.9340       37.44280 55.62399 9.231378 55.98427 6.984247 -0.3602791     11.57575 
1 1 1 -12 3  48 o 59.62804 4.590977 181.0126       26.58933 162.8723       36.93129 200.5354       38.31275 55.16983 6.995989 61.66608 6.442250 -6.496258      9.510334 
1 1 1 -12 3  49 o 31.70714 7.750412 56.18018       23.84821 45.08625       32.96207 68.36637       34.54663 28.37343 9.784547 34.03622 9.824828 -5.662794      13.86595 
1 1 1 -12 3  50 o 28.13032 8.844001 45.06804       27.14625 11.00000       48.52098 60.59043       32.75180 24.49774 10.69977 32.03658 9.651480 -7.538841      14.40959 
1 1 1 -12 3  51 o 18.66110 7.950791 5.766102       25.52354 15.16000       47.87400 2.035666       30.16870 24.76608 10.72426 19.30834 8.435032 5.457733       13.64403 
1 1 1 -12 3  52 o 47.96824 5.298082 120.4063       24.46188 137.5093       34.63272 103.3790       34.55605 49.93824 7.300849 42.24717 8.647899 7.691074       11.31762 
1 1 1 -12 3  53 o 48.79308 5.790737 126.4174       27.11789 132.0957       34.19890 116.8000       44.50724 48.75016 7.398986 43.10237 10.61945 5.647789       12.94287 
1 1 1 -12 3  54 f 39.20237 7.834471 87.36401       29.01067 71.21000       54.93740 93.61052       34.16225 32.86874 12.44408 39.76621 8.988621 -6.897465      15.35091 
1 1 1 -12 3  55 o 18.14073 7.593008 8.307734       22.61348 19.06249       32.51025 -1.773253      31.47543 22.33362 9.204488 18.85013 8.406633 3.483492       12.46572 
1 1 1 -12 3  56 o 29.94918 7.897521 52.00941       23.47840 85.76515       34.13737 21.71042       32.34225 37.60378 9.321505 22.73907 9.253848 14.86471       13.13484 
1 1 1 -12 3  57 o 16.55313 7.531019 -8.380963      26.74187 -11.77260      32.44535 -1.196000      47.22370 17.77151 8.164208 22.18441 10.05939 -4.412901      12.95553 
1 1 1 -12 3  58 o 41.62662 7.251098 97.36978       28.47171 93.46000       48.16017 99.47046       35.30132 36.81927 11.80435 40.61516 9.105181 -3.795887      14.90795 
1 1 1 -12 3  59 o 29.47512 8.803535 52.84681       27.33761 114.2000       48.60317 24.45413       33.06352 40.68481 11.62523 23.07102 9.368482 17.61379       14.93032 
1 1 1 -12 3  60 o 17.23069 7.477045 3.817109       23.37166 -13.39626      34.04094 19.16691       32.14548 17.74027 8.225121 21.80394 9.084099 -4.063673      12.25453 
1 1 1 -12 4  1  o 433.9674 8.167617 9237.509       346.9435 9536.383       501.9137 8964.031       480.1161 440.2738 11.65688 426.8776 11.50092 13.39621       16.37541 
1 1 1 -12 4  2  o 386.4745 7.323677 7323.138       277.0488 7372.238       394.2840 7275.254       389.3745 387.2757 10.41063 384.7278 10.34909 2.547821       14.67940 
1 1 1 -12 4  3  o 235.5970 4.723591 2718.588       108.9302 2735.738       154.9718 2701.841       153.1456 236.1534 6.711086 234.6877 6.673431 1.465683       9.464320 
1 1 1 -12 4  4  o 376.0740 7.139447 6934.000       262.8113 7180.205       380.8011 6710.068       363.1682 382.2117 10.18768 369.4991 10.05060 12.71265       14.31095 
1 1 1 -12 4  5  o 328.8851 7.318248 5303.750       235.5904 5083.000       395.4932 5425.166       293.3088 321.1310 12.60652 332.3441 9.024706 -11.21313      15.50386 
1 1 1 -12 4  6  o 408.8846 7.724437 8200.116       309.1533 8273.377       440.1857 8128.804       434.2914 410.1098 10.97539 406.5179 10.92419 3.591980       15.48538 
1 1 1 -12 4  7  o 262.7099 5.185690 3381.223       133.3489 3384.377       188.9230 3378.091       188.2464 262.5941 7.357360 262.3519 7.337750 0.2421570      10.39102 
1 1 1 -12 4  8  o 292.2197 5.682605 4184.659       162.5411 4193.564       230.3051 4175.821       229.4330 292.2284 8.059161 291.6107 8.045657 0.6176758      11.38783 
1 1 1 -12 4  9  o 357.6667 6.824872 6273.400       238.9347 6350.893       340.9863 6198.646       334.9052 359.3730 9.702481 355.0461 9.645695 4.326904       13.68129 
1 1 1 -12 4  10 o 354.0139 6.762593 6146.568       234.3364 6172.018       332.4170 6121.427       330.3957 354.2399 9.595767 352.7875 9.576720 1.452393       13.55700 
1 1 1 -12 4  11 o 235.9160 4.756936 2726.944       109.8477 2712.245       154.9229 2741.807       155.7769 235.0512 6.740553 236.3297 6.740969 -1.278488      9.532876 
1 1 1 -12 4  12 o 142.5440 3.442097 995.0557       48.02620 1028.066       68.73626 963.5696       67.13081 144.7628 4.857786 140.1400 4.901428 4.622757       6.900875 
1 1 1 -12 4  13 o 159.3411 3.636787 1243.545       56.72205 1245.609       80.14970 1241.474       80.28466 159.3301 5.145978 159.0637 5.163343 0.2663574      7.289802 
1 1 1 -12 4  14 o 387.5593 7.366304 7376.102       279.4435 7230.496       389.6000 7530.378       401.0335 382.9318 10.40385 390.7725 10.49407 -7.840698      14.77719 
1 1 1 -12 4  15 o 242.1578 4.871802 2874.596       115.4767 2767.965       159.5220 2991.989       167.3786 237.3353 6.874006 246.7514 6.936897 -9.416107      9.765884 
1 1 1 -12 4  16 o 85.87680 3.261785 361.7391       27.36826 358.6609       38.23576 364.9731       39.19106 85.41644 4.590079 86.16079 4.664374 -0.7443466     6.544097 
1 1 1 -12 4  17 o 17.99161 6.991818 9.804711       17.65370 7.921406       23.52979 12.23009       26.70224 19.59346 7.922509 21.54101 8.530298 -1.947548      11.64183 
1 1 1 -12 4  18 o 52.79303 4.083162 137.4101       20.93597 144.0789       28.40975 129.4844       30.97175 53.91648 5.458298 50.96077 6.346150 2.955704       8.370582 
1 1 1 -12 4  19 o 143.3901 3.479153 1007.375       48.83136 958.6749       66.99476 1062.572       71.32435 139.7199 4.906262 147.0998 4.960681 -7.379837      6.977088 
1 1 1 -12 4  20 o 74.93357 3.883502 275.9495       28.38715 260.1779       34.22804 310.7000       50.80711 72.66843 4.839631 79.23565 6.611040 -6.567223      8.193160 
1 1 1 -12 4  21 o 189.3296 4.772302 1759.618       88.37032 1712.000       152.2716 1783.801       108.5138 186.1660 8.377735 190.4874 5.826711 -4.321396      10.20475 
1 1 1 -12 4  22 o 25.81701 7.316456 33.64787       19.33035 42.62154       25.75400 22.06963       29.25370 29.12852 8.504888 24.37239 9.112030 4.756132       12.46444 
1 1 1 -12 4  23 o 74.52787 3.524956 272.8391       25.64166 265.4267       35.35438 281.0654       37.24501 73.37342 4.951640 75.50069 5.069147 -2.127274      7.086254 
1 1 1 -12 4  24 o 189.6613 4.754725 1766.452       88.19985 1760.839       107.5185 1778.000       154.2221 189.2019 5.812555 189.6221 8.329372 -0.4201965     10.15698 
1 1 1 -12 4  25 o 285.8739 8.046376 4036.625       224.9307 4064.000       320.3293 4010.000       315.9167 285.4933 11.48635 283.6252 11.40270 1.868073       16.18511 
1 1 1 -12 4  26 o 283.7509 5.601956 3958.083       155.5905 4015.063       221.9273 3903.004       218.1966 285.0327 7.962245 281.0315 7.940032 4.001190       11.24462 
1 1 1 -12 4  27 o 132.5701 3.475904 862.3160       45.06556 833.0791       62.68687 893.5881       64.83190 130.1341 4.930211 134.7848 4.922340 -4.650726      6.966807 
1 1 1 -12 4  28 o 97.40324 3.652899 466.0369       34.76538 476.7000       57.39464 459.8572       43.69301 98.21062 5.999063 96.64618 4.632200 1.564445       7.579316 
1 1 1 -12 4  29 o 174.0695 4.480821 1489.597       76.28257 1612.000       135.8260 1433.201       92.19603 180.3049 7.713897 170.5400 5.530373 9.764923       9.491535 
1 1 1 -12 4  30 o 172.0276 5.412850 1458.984       91.03104 1458.000       127.7133 1460.000       129.7864 171.3544 7.633543 171.4328 7.754522 -0.7843018E-01 10.88134 
1 1 1 -12 4  31 o 60.24124 4.694838 179.6650       27.46503 163.6588       32.49480 219.7000       51.39131 57.28400 5.878596 65.97784 8.129366 -8.693836      10.03217 
1 1 1 -12 4  32 o 30.85889 6.750764 49.01953       19.82254 29.00704       27.72894 69.93547       28.34793 25.51204 8.963373 36.75874 8.097746 -11.24669      12.07955 
1 1 1 -12 4  33 o 21.44560 8.194113 16.19744       23.95608 -68.11000      46.86405 46.02064       27.87302 18.35499 8.835796 30.00470 8.871492 -11.64971      12.52097 
1 1 1 -12 4  34 o 171.8332 4.601519 1458.395       77.32563 1382.000       132.9517 1497.446       95.05653 165.6147 8.227172 173.7416 5.596789 -8.126846      9.950397 
1 1 1 -12 4  35 o 89.64600 3.447654 396.0559       30.19607 389.0804       42.64079 403.0728       42.76688 88.52937 4.940349 90.13080 4.865654 -1.601425      6.934093 
1 1 1 -12 4  36 o 84.75378 3.494221 354.4034       28.92566 334.0033       40.20611 376.2908       41.64599 81.91672 5.038718 87.00113 4.910305 -5.084412      7.035607 
1 1 1 -12 4  37 o 85.50648 3.970786 362.0209       33.14318 361.7054       41.19176 362.6000       55.81467 85.19384 4.961112 84.64308 6.793762 0.5507584      8.412362 
1 1 1 -12 4  38 o 12.22993 5.947492 -38.56284      22.63971 -22.13610      28.40918 -67.15000      37.47732 16.22220 7.518754 15.37822 7.516538 0.8439798      10.63156 
1 1 1 -12 4  39 o 53.38799 4.646901 142.7257       24.04191 108.3252       33.20382 180.6374       34.85720 45.50734 7.730459 59.67389 6.051199 -14.16655      9.817180 
1 1 1 -12 4  40 o 126.9598 3.594341 797.6422       44.62257 760.8211       61.86843 837.5638       64.42059 123.2870 5.138053 129.3880 5.096532 -6.101021      7.237004 
1 1 1 -12 4  41 o 21.87114 7.992292 20.89654       22.28128 73.98232       31.82329 -30.15218      31.20674 36.96300 8.902369 16.24280 7.642281 20.72020       11.73272 
1 1 1 -12 4  42 o 36.52850 6.955429 70.23438       23.96116 88.78362       33.97238 51.87218       33.80066 40.46355 8.826392 31.11252 9.879866 9.351028       13.24828 
1 1 1 -12 4  43 o 75.58025 4.782052 287.3107       35.19625 259.1551       41.41654 360.5000       66.77509 71.21763 5.996945 82.51540 8.383753 -11.29778      10.30780 
1 1 1 -12 4  44 o 34.56979 7.308414 64.19595       23.95555 45.56772       33.10618 84.66925       34.70702 29.19982 9.810444 38.97793 9.238735 -9.778107      13.47587 
1 1 1 -12 4  45 o 25.18522 8.236381 33.51418       23.37704 -24.04245      31.91524 100.1401       34.33778 16.85374 7.864580 42.60039 8.532500 -25.74665      11.60410 
1 1 1 -12 4  46 o 49.94635 5.915256 129.7987       28.35830 143.5000       47.00494 121.9578       35.55851 50.06604 9.942364 47.30584 7.961777 2.760204       12.73737 
1 1 1 -12 4  47 o 47.80896 5.487661 118.4748       25.21544 113.0808       35.47298 123.9841       35.85004 45.14053 8.335310 47.53205 7.988500 -2.391525      11.54528 
1 1 1 -12 4  48 o 41.57944 6.199055 91.54890       24.45974 61.74014       34.19420 122.7837       35.00254 32.49355 9.877210 47.29383 7.835268 -14.80028      12.60756 
1 1 1 -12 4  49 o 49.52781 5.240787 126.9541       25.02194 121.8057       35.06942 132.2929       35.71206 46.95892 7.910491 49.13066 7.677060 -2.171734      11.02330 
1 1 1 -12 4  50 o 65.31983 4.245312 216.5867       26.99614 213.1218       38.10117 220.0797       38.25592 63.52793 6.206346 64.62774 6.120394 -1.099808      8.716534 
1 1 1 -12 4  51 o 71.99117 4.030733 262.3879       28.28992 235.0224       39.73753 290.5114       40.28405 66.66309 6.159512 74.67268 5.551150 -8.009590      8.291854 
1 1 1 -12 4  52 o 49.21484 6.321085 130.1008       29.74820 73.87000       53.95485 154.6604       35.65770 33.50910 12.40419 53.18738 7.020444 -19.67828      14.25309 
1 1 1 -12 4  53 o 16.75098 7.566694 -6.837832      26.41733 -6.412000      49.82517 -7.004348      31.15720 22.33664 10.20732 18.11299 8.196294 4.223648       13.09078 
1 1 1 -12 4  54 o 43.46196 6.831675 103.6074       28.10530 109.6357       37.09184 95.48000       43.06813 43.04001 9.089892 38.54692 10.91984 4.493092       14.20806 
1 1 1 -12 4  55 o 37.01062 7.844982 78.44609       27.53641 108.6640       35.93615 35.47000       42.85612 42.94268 8.844039 26.44629 10.69252 16.49639       13.87613 
1 1 1 -12 4  56 o 39.51342 7.830609 89.28117       29.21545 105.2904       35.40379 55.11000       51.72429 42.17845 8.857739 29.99818 11.87459 12.18027       14.81436 
1 1 1 -12 4  57 o 25.68147 8.236502 38.16874       23.44558 40.27409       34.03473 36.26738       32.34397 26.47986 9.842484 25.52741 9.573539 0.9524517      13.73052 
1 1 1 -12 4  58 o 34.32100 8.270020 69.38129       27.45273 56.65000       47.90163 75.60810       33.50013 29.92764 11.54793 34.92625 9.534063 -4.998619      14.97508 
1 1 1 -12 4  59 o 24.09535 8.950130 32.17255       28.13417 14.14867       33.69332 73.68000       51.13082 21.41243 9.129427 32.39810 12.05968 -10.98567      15.12555 
1 1 1 -12 4  60 o 17.09400 7.417090 3.724163       22.99430 -5.621798      33.17073 12.36991       31.90394 18.39593 8.376465 20.61498 8.838799 -2.219049      12.17742 
1 1 1 -12 5  1  f 688.3234 12.81181 23320.52       863.1954 24030.17       1249.313 22672.28       1194.047 696.4092 18.34336 676.5667 18.04648 19.84259       25.73236 
1 1 1 -12 5  2  o 516.7393 11.18923 13125.63       565.9496 11630.00       898.5550 14109.10       728.6390 484.0632 19.00119 534.9299 13.92768 -50.86676      23.55898 
1 1 1 -12 5  3  o 566.4869 10.57226 15767.88       586.2244 16386.91       852.5065 15212.59       807.4224 576.1158 15.13066 555.1573 14.87202 20.95856       21.21588 
1 1 1 -12 5  4  o 252.8050 5.014590 3130.704       124.0873 3214.720       178.8964 3052.802       172.2634 255.9556 7.147531 249.4291 7.062802 6.526535       10.04840 
1 1 1 -12 5  5  f 121.2489 3.169632 720.2616       37.58549 674.4299       52.02315 770.3064       54.36175 117.2571 4.541226 125.3323 4.438235 -8.075233      6.349855 
1 1 1 -12 5  6  o 247.1674 4.925237 2992.718       119.1583 2999.788       169.0540 2985.737       167.9818 247.2432 6.992481 246.6657 6.964375 0.5775146      9.869007 
1 1 1 -12 5  7  o 207.7879 4.302504 2114.673       87.50800 2087.796       123.3485 2141.907       124.1655 206.2940 6.115344 208.9556 6.077183 -2.661606      8.621461 
1 1 1 -12 5  8  o 245.2566 4.903344 2946.909       117.7116 2930.596       166.2717 2963.300       166.6678 244.3505 6.958911 245.7134 6.936675 -1.362946      9.825676 
1 1 1 -12 5  9  o 117.7688 3.201367 679.6122       36.86965 690.7988       52.36799 668.6171       51.91803 118.6646 4.516812 116.7389 4.552289 1.925751       6.412872 
1 1 1 -12 5  10 o 117.2240 3.219196 673.3726       36.90276 681.2964       52.50122 665.6348       51.88107 117.8382 4.560344 116.4739 4.559464 1.364296       6.448678 
1 1 1 -12 5  11 o 260.7507 5.163839 3332.197       131.7967 3379.666       188.1202 3286.436       184.7040 262.3147 7.333868 258.6725 7.302217 3.642212       10.34930 
1 1 1 -12 5  12 o 110.1500 3.160733 594.6270       34.04312 626.0907       48.48644 564.0360       47.80919 112.9586 4.393632 107.1939 4.567003 5.764694       6.337312 
1 1 1 -12 5  13 o 166.1122 3.712705 1351.579       60.36679 1308.329       83.68676 1398.497       87.16233 163.2813 5.242970 168.8165 5.281318 -5.535141      7.441845 
1 1 1 -12 5  14 o 165.3742 3.708711 1339.693       60.03396 1314.717       83.86961 1365.936       85.97107 163.6680 5.241976 166.8263 5.271413 -3.158264      7.434118 
1 1 1 -12 5  15 o 127.9568 3.300153 802.4717       41.29913 795.5446       57.81845 809.6876       59.01140 127.3124 4.647496 128.4362 4.701926 -1.123871      6.611152 
1 1 1 -12 5  16 o 68.38196 3.451597 229.6468       23.02827 239.6083       31.84165 218.7230       33.34406 69.75417 4.690850 66.58475 5.156232 3.169418       6.970711 
1 1 1 -12 5  17 f 29.30313 6.535909 43.83410       18.26942 25.84947       24.32020 67.12768       27.67798 24.20632 8.401783 36.23726 8.015927 -12.03094      11.61228 
1 1 1 -12 5  18 o 167.5218 3.774687 1375.170       61.89540 1330.000       85.58675 1424.697       89.61905 164.5618 5.320376 170.3186 5.382420 -5.756790      7.568147 
1 1 1 -12 5  19 f 268.9161 6.157489 3551.859       162.0790 3366.125       191.4359 4022.000       304.5727 261.4630 7.487805 284.8676 10.94335 -23.40460      13.25987 
1 1 1 -12 5  20 o 112.2806 3.876738 618.6660       42.54275 589.6000       73.91602 633.0640       52.02333 109.2772 6.946352 113.5110 4.692362 -4.233795      8.382725 
1 1 1 -12 5  21 o 191.5947 4.750432 1800.903       89.08873 2001.000       160.9179 1712.466       106.9796 201.3195 8.183110 186.6226 5.863673 14.69696       10.06707 
1 1 1 -12 5  22 o 238.4117 4.837757 2789.162       112.8958 2710.794       156.6446 2873.866       162.8540 234.6354 6.827753 241.5813 6.894032 -6.945969      9.702880 
1 1 1 -12 5  23 o 125.6318 3.902897 774.5938       47.93644 802.2919       59.26801 722.2000       81.51448 127.7771 4.746973 120.9402 6.914670 6.836876       8.387277 
1 1 1 -12 5  24 o 91.26861 3.870723 409.1686       34.50107 454.3655       42.53148 322.2000       58.99795 96.12421 4.533115 80.50368 7.576191 15.62052       8.828806 
1 1 1 -12 5  25 o 248.0022 5.010620 3020.280       121.6335 2980.581       170.5377 3061.385       173.5329 245.8528 7.094037 249.1581 7.122728 -3.305359      10.05279 
1 1 1 -12 5  26 o 195.1507 4.193500 1868.699       80.10375 1891.533       113.9430 1846.387       112.6359 195.9951 5.946190 193.6392 5.949674 2.355896       8.411647 
1 1 1 -12 5  27 o 139.1693 3.968499 951.0104       54.00479 978.8000       91.57349 936.1913       66.87144 140.7752 6.664573 137.9528 4.960341 2.822403       8.307919 
1 1 1 -12 5  28 o 149.4273 4.083008 1096.828       59.66358 1108.000       101.4899 1090.929       73.75432 149.6679 6.946629 148.8764 5.068614 0.7915497      8.599216 
1 1 1 -12 5  29 o 103.4961 3.677233 526.2910       37.19294 575.2000       62.76172 499.8183       46.17414 107.8701 5.967372 100.7301 4.696024 7.140015       7.593561 
1 1 1 -12 5  30 o 109.5357 3.347459 589.2308       35.84817 550.0370       49.47858 632.5378       52.01003 105.6316 4.797916 113.3076 4.699650 -7.676071      6.716153 
1 1 1 -12 5  31 o 91.04147 4.393440 408.6518       39.03609 398.7000       52.74916 420.7000       58.04009 89.62849 6.048026 91.98437 6.487881 -2.355873      8.869679 
1 1 1 -12 5  32 o 113.6309 3.953416 635.7001       43.90489 675.7818       54.05564 558.0000       75.26261 117.0151 4.729210 105.6756 7.321358 11.33949       8.715946 
1 1 1 -12 5  33 o 99.78312 3.368235 489.8193       32.85055 499.6675       46.50405 480.0102       46.41147 100.5303 4.739274 98.50976 4.827972 2.020584       6.765356 
1 1 1 -12 5  34 o 109.7644 3.993210 594.3333       42.83173 577.3000       77.63271 601.7872       51.35529 107.1389 7.449114 110.2674 4.769361 -3.128494      8.845118 
1 1 1 -12 5  35 o 44.54856 6.127456 100.6087       26.01193 115.9000       51.10935 95.26325       30.21839 46.38633 11.35071 42.98341 7.452279 3.402912       13.57848 
1 1 1 -12 5  36 o 9.900761 4.934201 -49.01517      19.14164 -42.86749      26.58268 -55.63565      27.58592 13.46496 6.523883 12.83287 6.308416 0.6320944      9.075085 
1 1 1 -12 5  37 o 77.19099 3.689322 294.7467       27.79460 278.5232       38.72635 311.9821       39.91562 74.59650 5.339040 79.01749 5.189479 -4.420998      7.445539 
1 1 1 -12 5  38 o 69.72331 4.367953 241.9208       29.66025 224.1452       36.60524 275.9000       50.61027 66.72655 5.657806 73.51331 7.122553 -6.786766      9.096237 
1 1 1 -12 5  39 o 53.49246 5.285578 144.2676       27.31390 134.4456       33.48441 163.8000       47.21939 51.11092 6.866584 55.61905 8.979171 -4.508125      11.30378 
1 1 1 -12 5  40 o 112.8284 3.558047 630.0322       39.24578 611.0640       54.49113 650.4761       56.57111 110.4940 5.051630 113.9928 5.082820 -3.498802      7.166173 
1 1 1 -12 5  41 o 19.59115 7.768177 11.94751       22.17085 16.21017       31.11833 7.553058       31.59575 22.85910 9.156928 21.40930 8.969122 1.449800       12.81774 
1 1 1 -12 5  42 o 132.1716 4.309333 870.9134       55.67668 846.7019       66.47732 927.8000       101.8986 129.7496 5.245144 133.6689 7.822286 -3.919373      9.418052 
1 1 1 -12 5  43 o 57.39494 4.771044 166.2134       26.56147 140.7250       36.65483 194.3960       38.54347 51.66404 7.464456 61.34072 6.519145 -9.676678      9.910466 
1 1 1 -12 5  44 o 32.79169 7.516998 58.22166       23.61098 31.17126       32.86619 87.07143       33.94171 25.87193 9.661164 39.61620 8.963131 -13.74427      13.17861 
1 1 1 -12 5  45 o 18.11146 7.808024 1.531758       25.15629 -14.63000      39.50776 12.55281       32.62492 20.07224 9.140493 22.06465 9.168767 -1.992409      12.94662 
1 1 1 -12 5  46 o 24.64374 8.184572 32.10826       23.05248 18.85545       33.31142 44.28807       31.93444 23.22624 9.413775 28.43420 9.635267 -5.207966      13.47062 
1 1 1 -12 5  47 o 34.07525 7.353738 63.64820       23.80717 74.28695       34.31218 53.77200       33.05960 35.75557 9.601969 30.63971 9.775683 5.115864       13.70262 
1 1 1 -12 5  48 o 46.88298 5.450337 114.1518       24.54609 104.8460       34.89217 123.2692       34.53737 43.18290 8.557451 47.47105 7.696127 -4.288151      11.50914 
1 1 1 -12 5  49 o 34.98751 7.106607 67.07460       23.50633 54.62602       33.08744 79.76001       33.40071 30.61593 9.781068 37.01620 9.246201 -6.400270      13.45963 
1 1 1 -12 5  50 o 27.89867 7.958888 43.97684       22.79866 2.238635       31.80960 88.06519       32.69288 19.79803 8.654905 39.10182 8.759643 -19.30379      12.31417 
1 1 1 -12 5  51 o 33.62466 7.228248 62.87120       23.08201 37.60530       33.00413 87.06046       32.29327 26.36257 9.711630 38.76842 8.721682 -12.40584      13.05310 
1 1 1 -12 5  52 o 28.48787 8.048261 46.76033       23.42778 41.22323       34.11845 51.70028       32.22623 27.01556 9.887168 29.40005 9.673534 -2.384497      13.83233 
1 1 1 -12 5  53 o 22.29506 8.640373 23.37062       26.90324 96.80000       51.67057 -3.939400      31.51152 37.57408 12.24235 18.60013 8.344697 18.97395       14.81584 
1 1 1 -12 5  54 o 28.67080 8.048614 47.63646       23.50729 45.30809       33.95041 49.78073       32.58054 27.78450 9.903310 28.80886 9.732410 -1.024359      13.88508 
1 1 1 -12 5  55 o 24.68182 9.656443 30.87215       33.85575 30.87215       33.85575 0.000000       0.000000 24.68182 9.656443 ?        ?        ?              ?        
1 1 1 -12 5  56 o 27.34977 8.751998 44.07058       26.48310 53.51113       34.00128 29.51000       42.22659 29.52221 9.942326 25.35776 10.47439 4.164450       14.44170 
1 1 1 -12 5  57 o 37.29810 7.881760 80.32217       27.87271 102.2000       47.64098 68.93624       34.36868 38.73810 11.63364 33.12027 9.865814 5.617832       15.25371 
1 1 1 -12 5  58 o 29.02279 8.098493 49.55432       23.87592 56.45822       34.60506 43.28190       32.98451 30.02159 10.02928 27.02465 9.745915 2.996944       13.98461 
1 1 1 -12 5  59 o 33.96700 8.374658 69.06835       27.66498 98.16000       48.23444 54.80677       33.77201 37.26258 11.79860 29.41655 9.908755 7.846031       15.40748 
1 1 1 -12 5  60 f 22.60843 8.236323 28.37453       23.63616 -1.763838      33.78911 57.25328       33.07548 18.98700 8.568933 29.74797 9.800754 -10.76096      13.01850 
1 1 1 -12 6  1  f 518.7155 13.80870 13271.06       700.4899 12150.00       928.7805 14750.00       1066.779 494.5057 19.22488 544.5721 20.04724 -50.06635      27.77567 
1 1 1 -12 6  2  o 188.8319 5.619253 1748.733       103.7473 1605.000       139.7869 1925.000       154.8008 180.7073 7.922117 197.9265 8.006825 -17.21922      11.26362 
1 1 1 -12 6  3  o 545.0594 10.19001 14597.41       543.6567 15071.05       787.3699 14165.86       751.5720 552.5100 14.57175 535.7211 14.34553 16.78888       20.44823 
1 1 1 -12 6  4  o 156.7749 5.149096 1205.436       78.90860 1117.000       109.4928 1301.000       113.8201 150.7285 7.444402 162.7233 7.163559 -11.99474      10.33130 
1 1 1 -12 6  5  o 66.47192 3.223206 216.8465       20.90913 213.4290       29.61875 220.2416       29.52145 65.84710 4.624817 66.90208 4.534883 -1.054977      6.477198 
1 1 1 -12 6  6  o 201.4620 4.200236 1987.850       82.82722 1901.394       114.5295 2082.648       119.9276 196.8695 5.950197 206.0474 5.952525 -9.177917      8.416495 
1 1 1 -12 6  7  o 21.63420 6.683606 22.85383       15.57681 7.762514       20.69417 42.58164       23.66050 18.58445 7.459532 29.02988 8.047481 -10.44543      10.97299 
1 1 1 -12 6  8  o 185.7108 3.971159 1689.151       72.18729 1700.682       102.6708 1677.878       101.5155 186.1894 5.640098 184.9378 5.614406 1.251617       7.958157 
1 1 1 -12 6  9  o ?        ?        -80.40562      13.67788 -61.90862      17.09280 -113.3379      22.80728 8.240622 4.176765 ?        ?        ?              ?        
1 1 1 -12 6  10 o 318.3819 6.142557 4970.788       191.4273 4961.695       270.6279 4979.893       270.8103 317.6579 8.711982 318.2421 8.701803 -0.5841675     12.31341 
1 1 1 -12 6  11 o 242.9722 4.869102 2893.075       115.8008 2972.167       166.6234 2819.183       161.0528 246.0092 6.926454 239.5953 6.874371 6.413849       9.758726 
1 1 1 -12 6  12 f 66.11958 3.356444 214.6562       21.65173 225.3400       29.72318 202.5779       31.60360 67.66390 4.513594 64.08718 5.079529 3.576721       6.795156 
1 1 1 -12 6  13 o 214.0792 4.410211 2245.796       92.41447 2219.322       129.6631 2273.129       131.7495 212.5894 6.237900 215.1504 6.262720 -2.560989      8.839291 
1 1 1 -12 6  14 o 177.3875 4.433135 1542.120       76.97332 1625.000       134.7359 1501.965       93.78435 181.6947 7.592644 174.9138 5.484500 6.780838       9.366323 
1 1 1 -12 6  15 f 117.4800 3.225319 676.5052       37.05370 641.9890       51.13506 714.6669       53.76771 114.3501 4.577775 120.6604 4.560715 -6.310272      6.461900 
1 1 1 -12 6  16 o 159.9101 3.657640 1252.836       57.25099 1165.221       78.09678 1354.619       84.17466 154.0470 5.186726 166.1089 5.183394 -12.06181      7.332783 
1 1 1 -12 6  17 o 15.13013 6.620616 -4.386945      18.65273 1.677644       21.55480 -22.47000      37.22024 17.55184 7.384035 19.61100 8.907549 -2.059162      11.57015 
1 1 1 -12 6  18 o 131.4186 3.984942 847.2518       51.20156 754.9000       86.82870 896.4849       63.39701 123.6985 7.202367 135.1163 4.801154 -11.41781      8.655932 
1 1 1 -12 6  19 o 52.97427 4.096951 138.3865       21.07881 123.8345       28.16349 156.9199       31.78361 49.87564 5.881880 56.22827 5.860801 -6.352631      8.303343 
1 1 1 -12 6  20 o 192.8841 4.127255 1824.043       77.92271 1701.128       105.6812 1970.481       115.3515 186.0213 5.811144 200.2085 5.892603 -14.18719      8.276000 
1 1 1 -12 6  21 o 156.6235 3.651808 1202.332       55.98492 1147.895       76.99566 1263.400       81.54972 152.8400 5.154002 160.3477 5.202702 -7.507645      7.323377 
1 1 1 -12 6  22 f 92.79189 4.443592 423.3221       40.24264 420.3000       53.10015 427.4000       61.68271 92.29830 5.908574 92.95425 6.826970 -0.6559525     9.028774 
1 1 1 -12 6  23 o 203.6323 6.063073 2040.230       120.7151 1926.000       162.9952 2179.000       179.6517 197.3464 8.457608 209.8513 8.765382 -12.50485      12.18044 
1 1 1 -12 6  24 o 282.3274 5.570489 3916.643       153.9404 3892.787       216.7618 3940.918       218.6597 280.7953 7.894377 282.5208 7.914805 -1.725494      11.17879 
1 1 1 -12 6  25 o 246.7701 4.982759 2990.591       120.3562 2910.781       167.2899 3076.225       173.2873 242.9390 7.042468 249.7387 7.096025 -6.799713      9.997496 
1 1 1 -12 6  26 o 161.4874 4.274721 1280.711       67.51038 1253.000       111.7523 1296.635       84.71593 159.2282 7.188724 162.3332 5.338788 -3.104980      8.954350 
1 1 1 -12 6  27 o 251.4573 5.829801 3111.837       143.4908 3188.000       250.2535 3074.533       175.1408 252.9136 10.12934 249.4885 7.179307 3.425156       12.41555 
1 1 1 -12 6  28 o 185.1363 4.065248 1682.572       73.66899 1657.229       103.9268 1708.167       104.4424 183.3606 5.797778 186.1735 5.738148 -2.812820      8.157241 
1 1 1 -12 6  29 o 68.62659 3.634062 231.7649       24.32428 212.9728       34.25659 250.8743       34.54467 65.55377 5.386224 71.24223 4.985249 -5.688461      7.339218 
1 1 1 -12 6  30 o 119.6318 3.912819 703.7260       45.75703 710.4410       55.83894 690.0000       79.83355 120.0676 4.760657 117.8653 6.950650 2.202263       8.424689 
1 1 1 -12 6  31 o 40.88631 5.051576 83.61492       19.78721 80.12661       26.81634 87.78423       29.31730 39.59396 7.183820 41.41957 7.507600 -1.825615      10.39093 
1 1 1 -12 6  32 o 59.66387 4.674483 176.4939       27.08147 203.6717       32.38551 113.3000       49.38350 64.02489 5.212748 46.32957 11.04604 17.69532       12.21425 
1 1 1 -12 6  33 o 67.06588 4.262330 222.5109       27.83569 228.1814       33.02522 208.6000       51.72665 67.78132 5.013190 63.91655 8.476673 3.864769       9.848150 
1 1 1 -12 6  34 o 47.12381 4.749115 110.8193       21.60732 106.9658       29.44776 115.3137       31.80266 45.83654 6.766690 47.55246 7.045405 -1.715912      9.768615 
1 1 1 -12 6  35 o 31.85685 7.987064 53.17461       24.85624 20.77000       49.17475 64.29517       28.80728 28.11697 11.42239 34.95658 8.502005 -6.839603      14.23921 
1 1 1 -12 6  36 o 62.45747 4.799140 194.4965       29.11480 256.3000       57.24799 172.9342       33.81436 70.50940 8.463799 58.56727 5.982414 11.94213       10.36461 
1 1 1 -12 6  37 o 30.93498 8.282933 50.58174       25.57895 75.03000       51.49627 42.57402       29.47176 37.54608 12.22088 28.86041 9.232351 8.685667       15.31621 
1 1 1 -12 6  38 o 66.15433 3.975134 217.3001       25.62172 193.3516       35.46472 243.4470       37.05685 61.83762 5.931847 69.60013 5.483683 -7.762505      8.078217 
1 1 1 -12 6  39 o 21.05868 8.185520 15.52995       24.20036 5.915266       29.60083 34.91000       42.02559 20.64922 8.668024 28.65278 10.87564 -8.003557      13.90734 
1 1 1 -12 6  40 o 13.69942 6.521509 -28.99472      24.02166 -18.45852      29.33728 -50.43000      41.84489 16.91913 7.769200 17.83750 8.523449 -0.9183712     11.53298 
1 1 1 -12 6  41 o 35.94152 8.022027 69.20224       27.50592 93.61376       32.39547 6.144000       52.06643 41.87479 8.197155 26.03431 11.22840 15.84048       13.90217 
1 1 1 -12 6  42 o 26.42009 8.265238 36.56192       23.73899 13.35369       32.79077 62.12163       34.41189 22.64347 9.278600 33.62388 9.834880 -10.98041      13.52099 
1 1 1 -12 6  43 o 38.36363 6.680819 77.42854       24.17633 58.75832       33.83315 96.90891       34.55942 32.57655 9.808486 42.14933 8.666286 -9.572781      13.08858 
1 1 1 -12 6  44 o 63.97505 4.822737 207.2028       29.97787 186.1000       47.76181 220.9202       38.50756 58.57330 8.585360 65.44394 6.080893 -6.870640      10.52073 
1 1 1 -12 6  45 o 24.85971 8.131013 32.74781       22.78239 16.40619       31.80539 49.96838       32.64952 22.53005 9.173759 29.93099 9.730088 -7.400940      13.37283 
1 1 1 -12 6  46 o 32.31295 7.510393 57.35085       23.30166 63.92953       34.28392 51.70268       31.76689 33.26309 9.840023 30.23909 9.575047 3.023998       13.72981 
1 1 1 -12 6  47 o 30.18917 7.960652 50.88055       23.85555 24.02802       35.16108 73.78390       32.47275 24.37924 9.744497 35.80617 9.212400 -11.42693      13.40983 
1 1 1 -12 6  48 o 50.24360 5.133720 130.1749       24.89308 101.8947       35.15956 158.5989       35.24887 42.39815 8.761943 54.55748 6.744059 -12.15933      11.05685 
1 1 1 -12 6  49 o 29.69048 7.834500 49.61330       23.09534 53.90042       32.22907 45.08797       33.11233 30.39633 9.646852 28.27130 9.804036 2.125029       13.75430 
1 1 1 -12 6  50 o 51.99139 4.847467 139.2438       24.38477 144.0735       34.88913 134.6315       34.09513 51.48606 7.112808 49.67292 7.223957 1.813148       10.13793 
1 1 1 -12 6  51 f 37.02901 7.667872 77.04727       26.87672 83.29549       34.28762 67.09000       43.28418 37.41013 9.381548 32.74755 11.21528 4.662582       14.62176 
1 1 1 -12 6  52 o 27.33905 8.034272 42.92017       22.91849 52.32592       33.35676 34.50972       31.54255 29.51875 9.846421 25.37141 9.466539 4.147348       13.65897 
1 1 1 -12 6  53 o 57.68593 4.721026 171.8938       26.42410 184.7158       37.94839 159.8257       36.81597 58.25412 6.781857 53.84664 7.162558 4.407475       9.863865 
1 1 1 -12 6  54 o 66.68729 6.898340 242.8829       44.37980 227.3000       61.42585 259.9000       64.19043 60.30742 10.80252 64.99730 10.44312 -4.689884      15.02508 
1 1 1 -12 6  55 o 24.97948 8.847068 35.01401       27.05565 29.21000       51.95802 37.17325       31.69124 26.42222 11.30311 25.76995 9.512443 0.6522694      14.77318 
1 1 1 -12 6  56 f 54.56448 6.649243 162.4055       34.78060 177.9000       51.70494 149.6000       47.00471 53.68846 10.21192 49.24537 10.09092 4.443092       14.35653 
1 1 1 -12 6  57 o 30.00178 8.698735 54.02962       27.02594 32.89289       33.81430 91.41000       44.96798 24.91488 9.678188 36.83056 11.35204 -11.91568      14.91764 
1 1 1 -12 6  58 o 20.92906 8.040075 20.90900       23.14759 10.23782       33.56450 30.58754       31.96530 20.88331 9.011094 24.20769 9.408080 -3.324379      13.02735 
1 1 1 -12 6  59 o 14.40077 6.697205 -13.94786      22.83453 -6.648952      33.46199 -20.30894      31.23837 18.44189 8.403492 16.32755 7.670871 2.114336       11.37809 
1 1 1 -12 6  60 o 38.81155 7.801306 88.49165       28.60803 75.16000       50.99783 94.61326       34.55748 32.01412 12.01815 38.86983 9.222574 -6.855705      15.14899 
1 1 1 -12 7  1  o 295.2725 8.137900 4281.739       234.9781 3824.000       307.8163 4921.000       363.7655 278.5732 11.31228 315.9855 11.78174 -37.41229      16.33331 
1 1 1 -12 7  2  o 173.4669 3.770416 1473.544       64.01947 1448.742       90.60801 1498.269       90.46657 171.8641 5.392784 174.7868 5.293881 -2.922668      7.556937 
1 1 1 -12 7  3  o 428.7885 8.082739 9022.908       339.2406 9268.369       489.1935 8795.511       470.8495 433.8205 11.53054 422.6328 11.39224 11.18771       16.20914 
1 1 1 -12 7  4  o 215.4263 5.112526 2273.835       107.8054 2273.000       188.5440 2274.240       131.4045 214.9509 8.981010 215.2965 6.242032 -0.3456116     10.93716 
1 1 1 -12 7  5  o 343.7736 6.579537 5794.966       221.3982 5833.182       314.6990 5757.515       311.5337 344.4463 9.342625 342.2090 9.309173 2.237366       13.18883 
1 1 1 -12 7  6  o 148.3741 3.461464 1078.032       50.27177 1088.681       71.75092 1067.764       70.45679 148.9819 4.927034 147.5450 4.885302 1.436935       6.938433 
1 1 1 -12 7  7  o 170.7160 3.767126 1427.314       62.94927 1450.682       90.40785 1405.325       87.70126 171.9636 5.377711 169.2571 5.300152 2.706543       7.550589 
1 1 1 -12 7  8  o 391.9639 7.437067 7540.003       285.3343 7836.855       414.7668 7273.289       393.1478 398.8906 10.63240 384.3093 10.46099 14.58130       14.91578 
1 1 1 -12 7  9  o 330.3029 6.352921 5350.909       205.3961 5529.610       297.3883 5187.912       284.0204 335.2814 9.070001 324.7723 8.942890 10.50906       12.73735 
1 1 1 -12 7  10 f 65.54357 3.329236 210.9223       21.28904 208.4311       29.13540 213.7760       31.18332 65.05862 4.604957 65.86799 4.871085 -0.8093643     6.703216 
1 1 1 -12 7  11 o 164.5035 3.675276 1325.495       59.17952 1390.706       85.79339 1266.303       81.73872 168.3524 5.212568 160.6393 5.205275 7.713165       7.366529 
1 1 1 -12 7  12 o 118.1054 3.204468 683.6306       37.01096 659.1393       51.53958 709.7075       53.18184 115.8851 4.552532 120.2567 4.526095 -4.371620      6.419586 
1 1 1 -12 7  13 o 79.64578 3.136657 311.1496       24.40541 312.4594       33.46811 309.6620       35.66550 79.73540 4.304142 79.35198 4.611687 0.3834229      6.308193 
1 1 1 -12 7  14 o 84.29440 3.171398 348.5072       26.12044 328.3552       35.60595 371.9898       38.43593 81.72718 4.467915 86.99839 4.529164 -5.271210      6.362043 
1 1 1 -12 7  15 o 90.07803 3.108664 397.8902       27.36828 387.6788       37.69080 409.2792       39.80486 88.82900 4.348063 91.26617 4.469334 -2.437172      6.235431 
1 1 1 -12 7  16 o 151.7722 4.094880 1129.755       60.77746 1112.368       73.60854 1167.000       107.7363 150.5198 5.003019 153.9221 7.170508 -3.402298      8.743363 
1 1 1 -12 7  17 o 125.9504 3.914734 778.1827       48.20370 698.2000       82.54449 819.5743       59.38071 118.9637 7.121309 129.1949 4.703478 -10.23122      8.534386 
1 1 1 -12 7  18 o 66.72757 3.461525 218.7493       22.53159 194.7405       30.05598 249.5527       34.04437 62.81525 4.927741 71.15656 4.918179 -8.341301      6.962120 
1 1 1 -12 7  19 o 218.2466 4.503840 2335.951       96.21366 2260.539       133.2483 2418.098       139.0718 214.3837 6.356874 221.7255 6.414666 -7.341812      9.030935 
1 1 1 -12 7  20 o 163.8986 3.731249 1316.671       59.85986 1226.893       81.33975 1422.736       88.41088 158.0081 5.266530 170.1592 5.314678 -12.15105      7.482121 
1 1 1 -12 7  21 o 142.8783 4.039913 1001.738       56.44278 974.6485       68.13237 1061.000       100.7735 140.8381 4.949974 146.6618 7.040338 -5.823685      8.606311 
1 1 1 -12 7  22 o 193.2374 4.778951 1832.453       90.39199 1813.614       109.8320 1872.000       159.1303 192.0244 5.850231 194.5928 8.374085 -2.568451      10.21521 
1 1 1 -12 7  23 o 152.0755 3.618273 1133.707       53.86007 1100.399       74.54098 1170.095       77.90993 149.6194 5.097246 154.2811 5.166385 -4.661728      7.257648 
1 1 1 -12 7  24 o 235.3105 5.580899 2721.170       128.5440 2877.000       232.2550 2652.359       154.3375 240.7022 9.878768 231.9857 6.804149 8.716522       11.99527 
1 1 1 -12 7  25 o 190.5597 4.713466 1782.938       87.91796 1657.000       142.6871 1860.012       111.6246 182.9882 7.985502 194.3750 5.873701 -11.38687      9.913053 
1 1 1 -12 7  26 o 209.4427 5.040360 2155.322       103.3316 2060.000       171.6937 2209.455       129.3878 203.8144 8.625738 211.7434 6.249609 -7.929062      10.65181 
1 1 1 -12 7  27 o 217.6318 4.527253 2326.279       96.44135 2167.543       130.9717 2514.291       142.5386 209.6121 6.390908 225.7522 6.457148 -16.14015      9.085068 
1 1 1 -12 7  28 o 234.3752 4.808120 2700.403       110.3045 2459.843       147.5759 3004.923       166.0395 223.1087 6.765419 246.5702 6.886367 -23.46147      9.653649 
1 1 1 -12 7  29 o 112.0996 3.334756 617.0458       36.55033 549.4745       49.93509 695.0270       53.64390 105.5792 4.844851 118.8038 4.621819 -13.22463      6.695805 
1 1 1 -12 7  30 o 146.3331 3.571792 1051.385       51.16053 967.8326       69.55744 1149.856       75.51273 140.0775 5.081468 152.7034 5.059005 -12.62590      7.170415 
1 1 1 -12 7  31 f 153.7762 3.651772 1161.798       54.96663 1135.848       76.81170 1189.034       78.69147 151.6671 5.181648 155.1797 5.187969 -3.512619      7.332428 
1 1 1 -12 7  32 f 67.47247 3.571131 224.3948       23.50116 229.9062       32.76030 218.5515       33.73233 68.07958 4.949961 66.31419 5.239312 1.765396       7.207808 
1 1 1 -12 7  33 o 55.90464 3.995693 154.6960       21.72067 138.0692       29.70397 173.8033       31.84278 52.43937 5.888592 58.97523 5.582594 -6.535862      8.114240 
1 1 1 -12 7  34 o 108.2294 4.664536 580.0046       49.29910 636.8000       67.36224 514.5000       72.34283 112.9520 6.115598 101.0411 7.365192 11.91095       9.573222 
1 1 1 -12 7  35 o 119.8689 3.447301 708.0864       40.40551 720.4620       57.29968 695.8459       56.98564 120.5032 4.867908 118.4035 4.927709 2.099693       6.926676 
1 1 1 -12 7  36 o 16.85501 7.013617 3.877341       19.12795 -13.91730      26.25305 24.01278       27.92645 16.50620 7.490864 24.05295 8.920288 -7.546747      11.64837 
1 1 1 -12 7  37 o 88.34126 4.206749 387.2201       36.27161 389.6000       67.94960 386.2717       42.89404 87.06032 8.065392 87.98640 5.001120 -0.9260788     9.490088 
1 1 1 -12 7  38 o 62.63610 4.994022 196.6306       30.36495 224.0000       59.37309 186.9364       35.33572 64.95779 9.629088 60.73935 6.022665 4.218433       11.35746 
1 1 1 -12 7  39 o 18.09374 7.361246 7.608342       20.45869 4.590303       27.64824 11.26068       30.41521 19.81176 8.350416 21.82527 8.938942 -2.013508      12.23250 
1 1 1 -12 7  40 o 90.64441 5.029971 411.8213       44.45354 411.8213       44.45354 0.000000       0.000000 90.64441 5.029971 ?        ?        ?              ?        
1 1 1 -12 7  41 o 114.4221 4.077088 651.3517       45.59021 696.0309       57.56873 576.2000       74.66259 117.8055 5.003859 105.7583 7.256418 12.04726       8.814431 
1 1 1 -12 7  42 o 63.26089 6.233252 205.1956       38.09636 205.1956       38.09636 0.000000       0.000000 63.26089 6.233252 ?        ?        ?              ?        
1 1 1 -12 7  43 f 23.55733 8.531169 26.00363       25.30759 31.48000       39.31870 22.13006       33.06808 27.01366 10.45192 24.15535 9.515464 2.858311       14.13459 
1 1 1 -12 7  44 o 45.74451 5.520633 107.7763       24.21989 114.6632       33.93929 100.6294       34.57372 46.13752 7.792475 42.77140 8.557241 3.366119       11.57364 
1 1 1 -12 7  45 o 23.15113 8.087640 26.93786       22.55478 19.04000       31.91930 34.81395       31.87528 23.01901 9.255723 26.27033 9.565562 -3.251326      13.31046 
1 1 1 -12 7  46 o 27.31025 8.061940 41.19828       23.03324 65.28558       34.10680 21.00203       31.23074 33.56101 9.784078 23.16699 9.208865 10.39403       13.43620 
1 1 1 -12 7  47 o 66.91391 4.301603 226.5892       28.02505 241.0598       41.34398 214.2880       38.11897 67.78257 6.303682 63.97558 6.163441 3.806992       8.816145 
1 1 1 -12 7  48 o 35.66083 7.106952 69.44954       23.93615 64.48816       34.64528 73.98056       33.10864 33.08378 9.917439 35.64154 9.368754 -2.557766      13.64292 
1 1 1 -12 7  49 f 45.16448 5.670018 107.0186       24.51515 123.1236       35.04522 91.58580       34.30591 47.12814 7.874642 39.78991 9.017460 7.338226       11.97182 
1 1 1 -12 7  50 o 60.56421 6.192271 194.2620       36.19286 155.4000       50.74495 234.5000       51.63554 50.61543 10.58348 64.70520 8.346992 -14.08977      13.47896 
1 1 1 -12 7  51 o 58.11922 4.644645 173.5794       26.20307 170.5472       37.69180 176.4156       36.45272 55.95130 7.037575 57.23366 6.629321 -1.282364      9.668265 
1 1 1 -12 7  52 o 53.78314 4.937428 150.0753       25.70302 158.4666       37.62078 142.7296       35.19905 53.51217 7.378577 50.82727 7.282867 2.684891       10.36743 
1 1 1 -12 7  53 f 33.85228 8.862019 68.18015       29.70317 72.20864       35.32083 58.45000       54.89325 34.12954 9.958637 30.82765 12.22338 3.301886       15.76659 
1 1 1 -12 7  54 o 28.33874 8.129326 46.79453       23.72168 79.88200       35.26962 19.46312       32.05532 35.93668 9.771381 22.30250 9.160290 13.63418       13.39369 
1 1 1 -12 7  55 o 28.03901 9.730794 47.07598       32.62226 0.000000       0.000000 47.07598       32.62226 ?        ?        28.03901 9.730794 ?              ?        
1 1 1 -12 7  56 o 34.26322 8.229301 68.73508       27.25184 81.74000       49.95849 63.22609       32.51554 34.51233 12.03802 31.99090 9.611887 2.521429       15.40462 
1 1 1 -12 7  57 o 34.73399 7.421474 68.83433       24.46595 68.81201       36.23559 68.85302       33.16775 32.82475 10.20274 33.21674 9.638279 -0.3919907     14.03540 
1 1 1 -12 7  58 f 36.52109 7.874560 77.57103       27.32055 89.63187       35.80386 60.76000       42.27057 37.86176 9.637737 30.48579 11.02763 7.375961       14.64563 
1 1 1 -12 7  59 o 16.23746 7.209350 -1.352668      22.88717 -7.596095      33.67210 4.008832       31.20340 18.34847 8.387225 19.27752 8.494928 -0.9290485     11.93773 
1 1 1 -12 7  60 o 29.04835 8.165170 51.04283       24.17663 51.87389       35.69243 50.33825       32.86424 28.32929 10.14779 28.08686 9.765705 0.2424297      14.08356 
1 1 1 -12 8  1  o 166.7630 5.163314 1364.005       84.18041 1238.000       113.6776 1517.000       125.2618 158.6834 7.338629 175.6945 7.299639 -17.01111      10.35085 
1 1 1 -12 8  2  o 185.8913 4.578084 1692.820       83.30077 1883.000       156.3989 1617.504       98.42284 195.6801 8.183525 181.5841 5.543970 14.09601       9.884619 
1 1 1 -12 8  3  o 414.1904 9.064911 8428.101       367.5106 7738.000       597.5236 8848.011       466.0981 395.1432 15.47873 423.8029 11.24582 -28.65973      19.13268 
1 1 1 -12 8  4  o 72.97786 3.059593 261.2235       21.80703 249.9470       31.28752 271.8770       30.41076 71.28759 4.506919 74.38414 4.193758 -3.096550      6.156291 
1 1 1 -12 8  5  o 477.6884 8.975118 11211.48       419.6537 11353.79       599.7720 11074.99       587.3820 479.5820 12.78807 473.6873 12.67983 5.894653       18.00868 
1 1 1 -12 8  6  o 118.6156 3.195503 689.4417       37.06735 674.7581       53.08807 703.4098       51.77874 117.2638 4.634286 119.7449 4.425231 -2.481094      6.407751 
1 1 1 -12 8  7  o 194.8761 4.110897 1860.276       78.41539 1846.554       110.9567 1873.968       110.8356 193.9804 5.850406 195.4207 5.800743 -1.440338      8.238681 
1 1 1 -12 8  8  f 208.5490 4.318323 2130.765       88.15147 2157.689       126.0114 2104.961       123.3608 209.6634 6.146815 207.0889 6.092375 2.574493       8.654500 
1 1 1 -12 8  9  o 169.4088 3.757938 1405.729       62.31489 1394.594       88.25107 1416.801       88.00257 168.5813 5.354950 169.9244 5.297419 -1.343018      7.532472 
1 1 1 -12 8  10 o 364.4967 6.956121 6521.512       248.1801 6748.810       359.6474 6314.879       342.9098 370.0950 9.936893 358.0251 9.794188 12.06995       13.95235 
1 1 1 -12 8  11 o 201.0948 4.213308 1981.442       82.93354 1981.126       117.5250 1981.754       117.0480 200.8719 5.983965 200.9066 5.958592 -0.3460693E-01 8.444683 
1 1 1 -12 8  12 o 124.2148 3.248769 756.2043       39.46621 748.8603       55.62181 763.6505       56.00748 123.5208 4.608517 124.7373 4.595009 -1.216530      6.507883 
1 1 1 -12 8  13 o 258.1492 5.129004 3267.910       129.6015 3244.626       182.5820 3291.555       183.9946 256.8725 7.268938 258.7244 7.272647 -1.851837      10.28245 
1 1 1 -12 8  14 o 227.7744 4.632961 2543.462       103.2927 2501.963       144.6610 2586.628       147.5374 225.6220 6.557299 229.4079 6.577127 -3.785904      9.287452 
1 1 1 -12 8  15 o 181.7228 4.559762 1620.012       81.04285 1605.155       98.57384 1651.000       142.3638 180.7815 5.577265 183.0153 7.966132 -2.233856      9.724461 
1 1 1 -12 8  16 o 201.8574 4.939667 1998.456       97.59972 1758.000       159.2204 2143.192       123.5292 188.7158 8.642485 208.8412 6.049300 -20.12540      10.54924 
1 1 1 -12 8  17 o 102.6519 3.172444 516.6950       31.83798 490.5801       43.65995 546.3539       46.52820 99.92540 4.475117 105.4598 4.517838 -5.534378      6.359052 
1 1 1 -12 8  18 f 186.3383 4.019147 1702.094       73.30646 1590.784       99.59398 1833.698       108.2935 179.9110 5.662527 193.1621 5.733969 -13.25108      8.058698 
1 1 1 -12 8  19 o 221.3624 4.551959 2403.469       98.62984 2346.995       137.2479 2463.779       141.8323 218.4149 6.426727 223.7775 6.482021 -5.362640      9.127947 
1 1 1 -12 8  20 o 158.9096 4.229505 1239.215       65.72938 1190.052       78.65786 1353.000       119.6640 155.6186 5.171040 165.6018 7.401005 -9.983200      9.028540 
1 1 1 -12 8  21 o 378.4959 8.370704 7068.755       310.1197 7029.089       378.3229 7150.000       541.4468 376.5235 10.27473 377.2251 14.69198 -0.7015991     17.92831 
1 1 1 -12 8  22 o 108.6941 3.271776 579.4930       34.76970 593.3987       48.21707 564.4286       50.18554 109.8853 4.492328 107.1333 4.797901 2.752045       6.572737 
1 1 1 -12 8  23 o 67.34263 3.633255 222.9745       23.86058 236.7044       32.13832 206.1113       35.61709 69.28021 4.768312 64.51132 5.699033 4.768890       7.430732 
1 1 1 -12 8  24 o 183.3984 4.606165 1652.052       82.62232 1538.000       134.1817 1721.703       104.8584 176.3577 7.792311 187.0444 5.734101 -10.68677      9.674710 
1 1 1 -12 8  25 o 96.95478 3.648084 461.6358       34.55930 465.3000       53.45138 459.0038       45.30190 97.10931 5.647678 96.55605 4.808385 0.5532532      7.417334 
1 1 1 -12 8  26 o 66.05766 3.522799 214.5977       22.69572 179.3701       30.69104 257.1086       33.71481 60.17698 5.263376 72.18746 4.798720 -12.01049      7.122559 
1 1 1 -12 8  27 o 135.7997 3.446894 905.0899       45.78062 865.0735       63.56551 948.2166       65.98967 132.5696 4.907063 138.8091 4.864337 -6.239487      6.909490 
1 1 1 -12 8  28 o 191.2384 4.145086 1796.161       77.59164 1762.498       108.8405 1830.948       110.6440 189.0123 5.890126 192.6552 5.874197 -3.642883      8.318640 
1 1 1 -12 8  29 o 113.5796 3.283805 633.4661       36.46931 639.3504       51.32414 627.4652       51.83038 113.9229 4.612147 112.8427 4.702814 1.080223       6.586984 
1 1 1 -12 8  30 o 54.48906 3.903316 146.6458       20.68058 151.7108       28.30635 140.8470       30.28759 55.21897 5.302163 53.07374 5.931439 2.145229       7.955809 
1 1 1 -12 8  31 o 58.82756 3.775925 170.8122       21.62774 189.9764       29.79218 149.4594       31.44738 61.87298 4.960739 54.64425 5.976775 7.228729       7.767288 
1 1 1 -12 8  32 o 123.6360 3.389601 751.7871       40.98169 725.8738       56.90905 779.7007       59.06475 121.1846 4.807178 125.6026 4.813136 -4.417969      6.802591 
1 1 1 -12 8  33 o 40.74444 4.949247 83.24725       19.33416 100.1957       25.82058 61.61655       29.17003 44.51025 6.085725 34.29315 8.682878 10.21711       10.60323 
1 1 1 -12 8  34 o 14.42244 6.388757 -5.582039      17.87121 27.89083       23.35016 -52.91692      27.76733 24.26873 8.238930 13.12129 6.425327 11.14745       10.44820 
1 1 1 -12 8  35 o 59.58525 4.308081 176.4065       24.95665 167.4000       36.83666 184.0479       33.93029 57.43298 6.676911 60.50913 5.799671 -3.076153      8.844055 
1 1 1 -12 8  36 o 35.64703 6.155484 65.34318       20.70169 65.84318       27.53805 64.69342       31.39236 35.29381 8.137712 34.82862 9.107068 0.4651947      12.21315 
1 1 1 -12 8  37 o 60.50397 4.069285 181.9709       23.95936 155.9029       33.06343 210.7963       34.76810 55.40063 6.203553 64.73329 5.540373 -9.332657      8.317439 
1 1 1 -12 8  38 o 78.15481 4.460369 304.3273       33.98018 201.7000       61.77167 348.8576       40.68980 60.93423 10.74948 83.50942 5.000781 -22.57519      11.85577 
1 1 1 -12 8  39 o 58.72737 6.940901 177.4952       39.12891 194.2000       59.15397 164.5000       52.17420 59.71777 10.50313 55.09539 10.04461 4.622375       14.53306 
1 1 1 -12 8  40 o 35.51693 6.658531 65.95447       22.29811 83.67514       30.60268 45.89880       32.55651 39.58496 8.169135 29.67099 9.720857 9.913975       12.69763 
1 1 1 -12 8  41 o 27.66639 7.845213 40.77800       22.21865 47.87942       31.07400 33.34940       31.78178 29.97203 9.467460 26.51604 9.566045 3.455986       13.45890 
1 1 1 -12 8  42 o 66.94436 5.259241 226.9716       34.18569 247.3000       47.27957 204.7000       49.48773 68.97014 7.104893 61.99713 8.368414 6.973007       10.97770 
1 1 1 -12 8  43 o 34.23683 7.701587 63.51901       25.18270 62.20022       30.93471 66.11000       43.36008 33.42537 9.176877 34.19291 11.21930 -0.7675362     14.49440 
1 1 1 -12 8  44 o 17.77491 7.431487 5.653984       21.62481 -1.757224      29.86031 13.82775       31.35891 19.04524 8.354075 22.02650 9.055013 -2.981255      12.32006 
1 1 1 -12 8  45 o 46.42937 5.363570 111.2104       23.92784 102.6216       34.08421 119.5564       33.59915 43.06318 8.387836 47.05030 7.550940 -3.987114      11.28594 
1 1 1 -12 8  46 o 25.45706 8.184284 35.12629       23.13935 35.13018       33.10750 35.12257       32.35348 26.32488 9.721714 26.24019 9.624034 0.8469772E-01  13.67968 
1 1 1 -12 8  47 o 17.46432 7.489209 2.770770       22.91220 13.19514       33.59153 -6.298288      31.33184 22.11832 9.255857 18.61016 8.337209 3.508163       12.45712 
1 1 1 -12 8  48 o 44.69258 5.852650 104.9833       24.98859 93.17031       35.93505 116.0440       34.77205 40.05249 9.338769 45.70752 8.066873 -5.655029      12.34046 
1 1 1 -12 8  49 o 82.84860 5.546349 356.2953       44.71875 423.7000       68.64525 306.6000       58.94175 87.65672 8.091822 74.34557 8.237626 13.31116       11.54712 
1 1 1 -12 8  50 o 44.78555 5.758698 105.8020       24.66102 122.5908       35.24810 89.70408       34.51534 46.82064 7.976860 39.11701 9.174212 7.703636       12.15716 
1 1 1 -12 8  51 o 42.10865 6.178650 95.20682       24.70949 100.4761       35.38903 90.19422       34.51631 41.35990 8.997948 38.97841 9.196384 2.381489       12.86610 
1 1 1 -12 8  52 f 74.63631 4.999487 288.7796       36.31365 287.8873       43.60089 290.8000       65.61011 73.52068 6.113982 69.63348 9.905033 3.887207       11.64004 
1 1 1 -12 8  53 f 39.17971 6.685165 84.18545       24.71850 110.8188       36.51997 61.66851       33.57936 43.41823 8.892561 31.68982 9.817039 11.72841       13.24583 
1 1 1 -12 8  54 o 51.76250 5.830006 142.7237       29.02550 161.2000       52.13924 134.4264       34.94022 50.40297 10.88697 48.95648 7.532454 1.446484       13.23873 
1 1 1 -12 8  55 o 51.11217 5.225138 137.1593       25.77395 159.7717       38.22820 118.3143       34.89865 53.38706 7.523856 45.34155 8.163500 8.045509       11.10185 
1 1 1 -12 8  56 o 17.96091 7.555584 7.757725       22.56541 8.362907       33.51145 7.255692       30.52221 20.69540 8.967010 19.86849 8.583189 0.8269157      12.41283 
1 1 1 -12 8  57 o 30.28477 8.670294 55.12228       27.00975 31.42000       48.43777 65.81786       32.53802 26.10310 11.03001 32.49990 9.578919 -6.396801      14.60879 
1 1 1 -12 8  58 f 23.54305 8.316660 31.07394       23.89605 31.59954       35.49340 30.63819       32.31764 24.64943 9.810991 24.15182 9.438786 0.4976082      13.61419 
1 1 1 -12 8  59 o 28.90180 8.733446 51.31624       26.78848 45.84586       34.72265 59.36000       42.10497 27.19501 9.970846 29.82005 10.97196 -2.625036      14.82571 
1 1 1 -12 8  60 o 39.29023 7.636129 90.28727       28.30907 82.18313       36.82258 102.0000       44.26797 35.13454 10.14373 38.12603 11.15558 -2.991497      15.07788 
1 1 1 -12 9  1  o 472.1196 8.871141 10952.15       409.9565 11428.35       597.9885 10529.87       563.1139 481.1117 12.70929 461.8759 12.46700 19.23581       17.80315 
1 1 1 -12 9  2  o 548.7592 10.28371 14817.09       552.3798 15897.89       822.8133 13930.35       745.2928 566.5960 14.84896 530.5532 14.36454 36.04279       20.65990 
1 1 1 -12 9  3  o 282.1439 5.513020 3902.073       152.2532 3985.178       218.9612 3824.278       211.8519 284.7957 7.862185 278.9963 7.765157 5.799377       11.05041 
1 1 1 -12 9  4  o 153.5822 3.524266 1155.156       52.98045 1188.600       76.86423 1124.886       73.12677 155.6546 5.051633 151.4288 4.940187 4.225769       7.065723 
1 1 1 -12 9  5  f 41.21402 4.123819 84.03790       16.41289 74.27220       23.74439 92.97334       22.71262 38.37856 6.555965 43.20466 5.494837 -4.826107      8.554175 
1 1 1 -12 9  6  o 156.2057 3.560940 1195.021       54.44622 1145.713       76.05213 1246.862       77.98128 152.8087 5.091715 159.4252 5.003398 -6.616547      7.138596 
1 1 1 -12 9  7  o 202.3934 4.219523 2006.849       83.59223 2002.994       118.6767 2010.644       117.7632 202.0037 6.008730 202.3952 5.950794 -0.3914642     8.456759 
1 1 1 -12 9  8  o 136.1113 3.336369 907.3127       44.45028 874.2078       62.40688 941.4016       63.32760 133.4723 4.784518 138.5211 4.677290 -5.048767      6.690939 
1 1 1 -12 9  9  o 154.8768 3.561895 1174.898       53.99749 1144.703       76.14753 1205.438       76.58228 152.7241 5.100960 156.7361 4.998143 -4.012009      7.141514 
1 1 1 -12 9  10 o 64.62912 3.263396 205.0916       20.57768 202.7869       28.25902 207.6930       30.02354 64.16647 4.528362 64.92091 4.757704 -0.7544479     6.568243 
1 1 1 -12 9  11 o 30.33022 5.365911 46.45367       15.34760 63.47498       19.90132 21.47542       24.10829 35.49319 5.937949 23.00706 8.327312 12.48613       10.22758 
1 1 1 -12 9  12 o 210.2677 4.350124 2166.932       89.53245 2119.682       125.0486 2216.632       128.2481 207.7227 6.156985 212.4218 6.174570 -4.699066      8.719734 
1 1 1 -12 9  13 o 83.04662 3.570827 338.5034       28.95883 323.7300       34.00460 377.5000       55.24723 81.15738 4.295890 87.43858 6.501602 -6.281197      7.792656 
1 1 1 -12 9  14 o 51.99429 6.588873 134.8899       32.78118 117.5000       48.97956 149.0000       44.11957 47.83994 10.72526 54.36162 8.575423 -6.521679      13.73205 
1 1 1 -12 9  15 o 190.6022 4.077736 1780.600       76.07697 1684.470       104.4241 1889.336       111.0605 185.1615 5.768649 196.1054 5.792150 -10.94394      8.174736 
1 1 1 -12 9  16 o 161.1965 3.684291 1273.328       58.13208 1212.393       80.38514 1340.131       84.16759 157.1041 5.234665 165.1844 5.212110 -8.080246      7.387003 
1 1 1 -12 9  17 o 181.1403 3.939482 1608.345       69.84902 1526.971       95.76652 1700.838       102.1003 176.2767 5.557193 186.0439 5.613094 -9.767227      7.898685 
1 1 1 -12 9  18 o 168.0992 3.785099 1385.038       62.28009 1294.386       84.78613 1491.272       91.78421 162.2966 5.344435 174.2098 5.389045 -11.91315      7.589782 
1 1 1 -12 9  19 o 57.81286 4.091427 164.6960       23.00334 179.2435       27.26907 128.8000       42.83509 60.26717 4.658710 50.33064 9.026446 9.936539       10.15777 
1 1 1 -12 9  20 o 145.9565 4.044634 1045.382       57.72844 993.4178       68.80016 1169.000       106.1152 142.1846 4.951013 153.9477 7.060835 -11.76315      8.623683 
1 1 1 -12 9  21 o 87.63299 3.252955 376.8456       27.85464 378.1622       37.58076 375.2404       41.49414 87.69082 4.392280 87.30171 4.875129 0.3891068      6.561936 
1 1 1 -12 9  22 o 108.3488 3.311273 575.8807       35.07644 593.3071       49.25072 557.9429       49.96820 109.8616 4.590057 106.5084 4.805336 3.353287       6.645289 
1 1 1 -12 9  23 o 103.9267 3.648703 530.2101       37.05933 476.3000       56.24568 571.5690       49.26495 98.24763 5.875563 107.8066 4.679743 -9.559021      7.511474 
1 1 1 -12 9  24 o 138.2622 3.491563 937.8698       47.21523 883.2075       64.78327 999.8020       68.95681 134.0031 4.947528 142.5851 4.948295 -8.582031      6.997403 
1 1 1 -12 9  25 o 194.7988 4.166189 1862.220       79.43858 1750.693       108.4804 1991.179       116.6502 188.5302 5.885677 201.0639 5.933630 -12.53365      8.357581 
1 1 1 -12 9  26 o 237.0763 4.828501 2762.021       112.0487 2694.482       156.1504 2833.711       160.8768 233.5843 6.836925 239.5382 6.868486 -5.953903      9.691215 
1 1 1 -12 9  27 o 183.7442 4.034224 1657.577       72.55709 1546.633       99.05698 1786.006       106.5777 177.1163 5.721245 190.3413 5.726926 -13.22499      8.095080 
1 1 1 -12 9  28 o 207.0245 4.360648 2106.312       88.36473 1973.513       120.2847 2262.007       130.2415 199.8892 6.155065 213.9920 6.224544 -14.10275      8.753843 
1 1 1 -12 9  29 o 97.14715 3.199805 463.5793       30.38553 424.2166       41.26801 510.1866       44.90528 92.74797 4.559699 101.7393 4.520521 -8.991287      6.420745 
1 1 1 -12 9  30 o 114.1610 3.800280 641.1996       42.40665 622.6693       51.31760 681.1000       75.30303 112.3455 4.676868 117.0565 6.598922 -4.710922      8.088193 
1 1 1 -12 9  31 o 152.7867 3.609653 1147.495       53.98302 1129.018       75.32753 1167.004       77.40174 151.1393 5.099087 153.6475 5.153879 -2.508148      7.250045 
1 1 1 -12 9  32 o 49.14277 4.214334 119.8692       20.07638 122.1943       26.69757 116.8431       30.45698 49.35562 5.626603 48.01417 6.659601 1.341450       8.718310 
1 1 1 -12 9  33 o 91.52506 3.286356 412.4798       29.39377 406.2913       40.72301 419.2107       42.47015 90.56934 4.608744 91.97184 4.733541 -1.402496      6.606583 
1 1 1 -12 9  34 o 58.90799 3.866961 171.8334       22.17390 219.8500       30.44430 117.5817       32.36063 66.49150 4.708163 47.92938 7.113245 18.56212       8.530243 
1 1 1 -12 9  35 o 58.73531 4.015374 171.1879       22.94624 174.6275       30.95878 166.9949       34.18186 58.99759 5.421542 57.47483 6.172524 1.522758       8.215423 
1 1 1 -12 9  36 o 26.84635 7.659230 37.58038       21.11347 37.13000       28.74299 38.10820       31.11588 27.36205 9.140409 27.89725 9.510151 -0.5351982     13.19053 
1 1 1 -12 9  37 o 15.95804 7.023456 -4.653177      21.26827 -9.273033      24.48538 9.544000       42.92334 16.45766 7.371770 24.76201 10.41884 -8.304350      12.76304 
1 1 1 -12 9  38 o 102.9318 3.991732 525.6793       40.14146 509.9227       48.12682 561.7000       72.76636 101.0357 4.880820 104.8742 7.130935 -3.838562      8.641334 
1 1 1 -12 9  39 o 67.29533 4.963376 227.3080       32.46395 224.1000       62.05727 228.5167       38.09189 64.37212 10.18764 67.15182 5.853648 -2.779701      11.74960 
1 1 1 -12 9  40 o 79.52692 4.699940 316.7250       36.42268 238.1000       69.20155 346.8514       42.83599 65.52263 11.19148 82.98325 5.301385 -17.46062      12.38361 
1 1 1 -12 9  41 o 33.69918 9.501737 62.33342       32.68698 0.000000       0.000000 62.33342       32.68698 ?        ?        33.69918 9.501737 ?              ?        
1 1 1 -12 9  42 o 21.05732 7.831543 19.05291       21.55404 16.68680       29.69139 21.68897       31.33935 22.39892 8.954011 23.75889 9.292025 -1.359964      12.90411 
1 1 1 -12 9  43 o 74.41019 4.426154 278.5218       32.09212 285.3495       39.72827 265.7000       54.44234 74.79652 5.464098 70.55202 8.026053 4.244507       9.709475 
1 1 1 -12 9  44 o 20.74831 8.203701 15.64748       24.66150 16.41970       30.65160 14.23000       41.52805 22.28375 9.030729 24.19890 10.21858 -1.915148      13.63721 
1 1 1 -12 9  45 o 17.51169 7.695412 -2.157500      25.44238 -16.03428      31.96052 21.85000       42.03808 17.67283 8.113014 25.30931 10.45235 -7.636482      13.23150 
1 1 1 -12 9  46 o 51.79053 5.167933 138.0917       25.84893 130.0559       36.84116 145.8834       36.27718 48.64173 8.016856 52.01514 7.328055 -3.373413      10.86142 
1 1 1 -12 9  47 o 94.43999 3.744476 447.4735       34.54550 448.5677       49.35807 446.4229       48.36646 93.31138 5.427451 93.17374 5.325460 0.1376343      7.603798 
1 1 1 -12 9  48 o 23.47516 8.734615 26.93885       26.81713 -2.334748      33.70501 77.44000       44.26975 19.71321 8.750879 35.34602 11.31606 -15.63281      14.30493 
1 1 1 -12 9  49 f 67.74096 4.978101 236.2074       32.77763 274.1000       60.10130 220.1657       39.10508 69.30499 9.077578 64.47016 6.276163 4.834831       11.03597 
1 1 1 -12 9  50 o 33.07462 7.641549 61.69211       24.24162 120.0480       34.91253 7.364387       33.68601 46.23051 8.004958 20.91856 9.026854 25.31195       12.06497 
1 1 1 -12 9  51 o 28.31924 9.197526 47.24395       29.17705 47.28616       34.59721 47.14000       54.29419 28.33640 10.00732 29.30601 11.96592 -0.9696178     15.59903 
1 1 1 -12 9  52 o 38.05368 6.865392 80.03635       24.63153 96.08728       36.49921 66.61312       33.37813 39.82542 9.497064 32.91685 9.701789 6.908569       13.57641 
1 1 1 -12 9  53 o 45.56064 6.535557 112.8496       28.31254 172.7000       51.63503 87.11933       33.85581 52.98681 10.32693 38.12074 9.182931 14.86607       13.81925 
1 1 1 -12 9  54 o 28.67218 8.016498 47.82801       23.37011 32.49286       34.95261 60.22651       31.42826 25.09459 9.813466 31.38227 9.454476 -6.287672      13.62686 
1 1 1 -12 9  55 o 21.55839 8.022242 23.36680       22.62233 24.41511       33.94940 22.52957       30.33969 23.42423 9.500035 22.53498 9.036667 0.8892441      13.11152 
1 1 1 -12 9  56 o 35.69354 7.108021 71.72928       23.96087 53.10448       35.81742 86.81601       32.23637 29.24360 10.19337 38.08669 8.820718 -8.843092      13.47998 
1 1 1 -12 9  57 o 29.23820 8.101545 50.35249       23.98549 86.58398       36.41557 22.58959       31.87693 37.11643 9.858105 22.67589 9.202216 14.44054       13.48566 
1 1 1 -12 9  58 o 27.15597 8.768056 44.45701       26.53912 34.06000       47.32553 49.22642       32.05338 26.08555 10.95573 28.17010 9.651119 -2.084551      14.60042 
1 1 1 -12 9  59 f 17.03990 7.578473 -0.6257767     25.39930 2.345000       46.21788 -1.911197      30.40168 21.83626 9.921313 18.17674 8.172179 3.659523       12.85368 
1 1 1 -12 10 1  o 278.2861 5.449379 3796.503       148.4379 3763.434       209.5459 3829.811       210.3019 276.7293 7.743635 279.1668 7.703508 -2.437531      10.92282 
1 1 1 -12 10 2  o 268.4358 5.290496 3532.191       139.0090 3543.490       197.7233 3521.148       195.4730 268.5428 7.529515 267.7029 7.467098 0.8398132      10.60430 
1 1 1 -12 10 3  o 212.7093 4.375509 2216.794       91.10062 2220.192       129.8470 2213.500       127.8478 212.6605 6.244668 212.3486 6.157387 0.3119202      8.769794 
1 1 1 -12 10 4  o 333.3340 9.140285 5468.548       297.9445 4937.000       393.7021 6181.000       455.8002 315.8596 12.76034 353.3443 13.20184 -37.48465      18.36069 
1 1 1 -12 10 5  o 260.8315 5.164482 3334.968       131.8539 3257.946       184.5060 3415.357       188.4973 257.4901 7.328001 263.6444 7.311386 -6.154297      10.35162 
1 1 1 -12 10 6  o 85.05759 3.325730 354.8642       27.63557 296.3000       43.52766 394.4130       35.76971 77.51463 5.778449 89.63196 4.087814 -12.11732      7.078184 
1 1 1 -12 10 7  o 251.8779 5.021931 3110.021       123.8132 3039.710       173.7440 3182.569       176.4847 248.7058 7.144438 254.4953 7.091609 -5.789490      10.06647 
1 1 1 -12 10 8  o 189.9001 4.032800 1766.863       74.96148 1765.472       106.5072 1768.228       105.5227 189.6321 5.744629 189.7861 5.686766 -0.1540222     8.083321 
1 1 1 -12 10 9  o 146.3293 3.447622 1048.826       49.38067 984.4555       68.24225 1119.577       71.54436 141.6203 4.930428 151.0451 4.845347 -9.424759      6.912778 
1 1 1 -12 10 10 o 190.2683 4.043918 1773.933       75.31388 1811.085       108.2625 1739.092       104.8398 192.0441 5.765846 188.1924 5.697945 3.851730       8.106266 
1 1 1 -12 10 11 f 225.1922 4.589494 2485.978       101.1636 2540.345       145.3183 2434.855       140.9171 227.3562 6.536697 222.5904 6.474597 4.765762       9.200479 
1 1 1 -12 10 12 o 128.0992 3.819981 804.7667       47.84410 781.3594       57.34173 858.4000       86.79863 126.1570 4.651548 132.0220 6.739063 -5.865013      8.188521 
1 1 1 -12 10 13 o 132.5459 3.965768 861.7410       51.39385 716.6000       87.84319 937.2794       63.37194 120.4883 7.485264 138.1787 4.692238 -17.69045      8.834380 
1 1 1 -12 10 14 o 117.9762 3.207282 682.3105       37.00281 634.7385       50.66222 736.7061       54.17387 113.6869 4.561947 122.4953 4.525970 -8.808334      6.426178 
1 1 1 -12 10 15 o 85.27411 3.062251 356.6597       25.51870 332.3202       34.41087 386.4024       38.03905 82.21957 4.290616 88.66553 4.396686 -6.445969      6.143308 
1 1 1 -12 10 16 o 135.3315 3.358783 897.3574       44.49251 855.7396       61.42618 943.2907       64.53252 131.9954 4.762126 138.5913 4.764119 -6.595963      6.736073 
1 1 1 -12 10 17 o 135.3078 3.873826 898.1757       51.25330 892.1603       62.86547 910.1000       88.51131 134.7700 4.773083 135.8863 6.674950 -1.116257      8.205930 
1 1 1 -12 10 18 o 51.97206 4.177264 133.2995       21.07161 124.9486       24.45127 157.4000       41.53822 50.20662 5.043725 55.99866 7.788684 -5.792046      9.279158 
1 1 1 -12 10 19 o 158.9280 3.678223 1238.096       57.21959 1170.709       77.96484 1316.767       84.24049 154.3398 5.168060 163.6822 5.264757 -9.342407      7.377433 
1 1 1 -12 10 20 o 51.05786 3.903560 128.5621       19.36084 116.6192       24.44026 148.6835       31.72347 48.45520 5.236054 54.67174 6.027990 -6.216537      7.984543 
1 1 1 -12 10 21 o 71.88177 3.720229 253.9941       26.08642 215.5000       36.32003 295.0111       37.49137 65.98230 5.678769 77.36033 4.977572 -11.37803      7.551466 
1 1 1 -12 10 22 o 261.5844 6.004875 3365.061       153.7524 3306.000       260.4965 3396.636       190.4677 257.8650 10.34154 262.3732 7.423904 -4.508270      12.73035 
1 1 1 -12 10 23 o 128.5251 3.373621 810.3323       42.40477 779.4910       58.28225 845.0226       61.81209 125.9101 4.737454 131.0919 4.825397 -5.181839      6.762243 
1 1 1 -12 10 24 o 270.1356 5.368191 3587.348       141.9436 3596.617       200.9550 3578.118       200.5229 269.7731 7.617788 269.0768 7.621128 0.6963196      10.77554 
1 1 1 -12 10 25 o 208.8877 5.116733 2144.971       104.6193 2051.000       180.6703 2192.376       128.3226 203.0957 9.111442 210.8707 6.223809 -7.774979      11.03423 
1 1 1 -12 10 26 o 198.1734 4.948881 1930.869       95.99723 1783.000       163.5077 2008.650       118.5874 189.2906 8.849258 201.8197 6.009698 -12.52917      10.69700 
1 1 1 -12 10 27 o 141.3667 3.463491 980.5217       47.92559 942.3348       66.27112 1022.388       69.39049 138.3279 4.902250 144.0862 4.927320 -5.758301      6.950578 
1 1 1 -12 10 28 o 187.6989 4.062382 1731.006       74.63605 1692.334       104.1200 1771.881       107.0433 185.1404 5.752466 189.4378 5.779563 -4.297440      8.154399 
1 1 1 -12 10 29 o 137.2144 3.439565 925.0233       46.16012 937.5760       65.40726 912.5674       65.15401 137.8806 4.853942 136.0167 4.901777 1.863876       6.898418 
1 1 1 -12 10 30 o 29.98145 5.964235 46.01466       16.88695 45.68982       21.62128 46.52278       27.04124 29.72290 7.447606 30.12802 8.690985 -0.4051151     11.44553 
1 1 1 -12 10 31 o 66.57095 3.463032 218.4231       22.48804 206.9997       30.20926 232.6209       33.67865 64.58797 4.812998 68.44119 5.063106 -3.853226      6.985699 
1 1 1 -12 10 32 o 86.49493 3.264745 368.3055       27.59090 383.4918       38.06741 351.4991       40.04664 88.04829 4.431232 84.18930 4.880550 3.858986       6.592085 
1 1 1 -12 10 33 o 78.36419 3.329871 302.6823       25.48357 292.5028       34.46516 314.9599       37.85070 76.78428 4.606845 79.62299 4.880006 -2.838707      6.710997 
1 1 1 -12 10 34 o 49.78337 4.168534 123.2684       20.12666 110.6308       26.09506 141.8251       31.62118 46.77636 5.825228 52.93927 6.220885 -6.162910      8.522482 
1 1 1 -12 10 35 o 51.49587 4.230565 132.0790       21.13654 124.3730       27.55825 143.0886       32.93966 49.58323 5.786874 53.02143 6.481490 -3.438206      8.688936 
1 1 1 -12 10 36 o 23.82380 7.444803 28.76320       19.26559 17.99022       24.76006 45.29304       30.67031 21.84360 8.334311 29.61813 9.411957 -7.774530      12.57162 
1 1 1 -12 10 37 o 44.73940 6.381940 102.7430       27.15663 85.84000       33.18690 137.0000       47.24530 40.07267 8.709985 50.36776 9.936062 -10.29508      13.21322 
1 1 1 -12 10 38 o 19.68925 7.800204 11.98916       22.33562 16.72984       25.86077 -1.931000      44.31422 21.73105 8.457505 23.41728 10.22669 -1.686232      13.27082 
1 1 1 -12 10 39 o 57.93972 4.718946 168.4546       26.53101 158.6000       38.95506 176.9804       36.23361 55.23590 7.390306 58.80751 6.397666 -3.571602      9.774803 
1 1 1 -12 10 40 o 40.33224 6.530729 84.61818       24.90136 90.06000       37.00326 80.11402       33.66470 40.49788 9.499806 38.30035 9.112666 2.197529       13.16385 
1 1 1 -12 10 41 o 107.1702 4.267554 573.4279       44.67760 583.4000       82.62505 569.3074       53.11186 105.4844 8.063462 106.3262 5.118259 -0.8417892     9.550707 
1 1 1 -12 10 42 o 48.36451 6.342711 121.5403       29.30379 76.58000       55.82823 138.6380       34.42772 36.55290 12.72711 51.37892 7.029843 -14.82602      14.53953 
1 1 1 -12 10 43 o 53.34408 4.662092 144.2133       24.09857 130.9511       33.31724 158.7646       34.89880 49.74719 7.038536 55.08190 6.604377 -5.334705      9.651879 
1 1 1 -12 10 44 o 52.73199 4.957126 142.0742       25.28638 139.0080       35.12321 145.3734       36.43344 50.98678 7.241085 52.09414 7.348971 -1.107357      10.31701 
1 1 1 -12 10 45 o 23.26676 8.610811 25.76660       25.99790 23.50693       32.14476 30.04000       44.20530 23.81352 9.381413 26.86238 10.85997 -3.048864      14.35095 
1 1 1 -12 10 46 o 57.22073 5.484126 169.4574       30.34064 155.1903       37.17948 197.9000       52.49530 53.67363 7.262990 59.02038 9.401973 -5.346748      11.88058 
1 1 1 -12 10 47 o 24.65033 8.739958 31.68645       26.41061 35.00895       32.92417 25.69000       44.23126 26.11224 9.685336 25.94637 10.71908 0.1658630      14.44661 
1 1 1 -12 10 48 o 57.37868 5.642144 171.8992       31.27904 117.9000       57.12325 195.0234       37.38117 42.11505 12.75892 60.62291 6.395841 -18.50786      14.27224 
1 1 1 -12 10 49 o 68.47348 4.167774 237.9906       27.80168 253.5215       39.70132 223.0460       38.94462 69.46690 5.894361 64.89413 6.206603 4.572777       8.559522 
1 1 1 -12 10 50 o 76.80586 4.703979 302.8141       35.19476 310.5961       41.81281 283.9000       65.18618 77.06935 5.580499 69.21573 9.903451 7.853622       11.36751 
1 1 1 -12 10 51 o 31.28510 7.745081 56.01893       23.59000 33.04060       34.05670 77.21183       32.70683 25.26994 9.740703 35.84967 9.256868 -10.57973      13.43767 
1 1 1 -12 10 52 o 30.82356 8.501181 55.99172       26.47867 71.05000       46.50734 48.76941       32.20860 32.91935 11.60470 28.54539 9.676508 4.373960       15.10973 
1 1 1 -12 10 53 o 24.81389 8.174681 34.93446       23.01077 9.022137       34.17822 56.41783       31.12056 20.99590 9.076500 30.43165 9.454658 -9.435745      13.10624 
1 1 1 -12 10 54 o 16.81370 7.318346 1.686573       22.53220 -16.60245      33.90105 16.15916       30.15720 17.63780 8.188143 21.31180 8.831980 -3.673996      12.04365 
1 1 1 -12 10 55 o 22.01964 8.070645 25.12637       22.74620 58.09187       34.07567 -1.367915      30.54856 30.54942 9.940987 18.59413 8.287882 11.95528       12.94265 
1 1 1 -12 10 56 o 40.04604 6.349927 87.75229       24.06101 104.2984       36.10812 74.53734       32.26936 41.54467 9.129114 34.80914 9.295750 6.735531       13.02888 
1 1 1 -12 10 57 o 37.11412 6.925264 77.18659       24.23319 36.36600       35.59164 112.4643       33.08708 25.64237 9.937981 44.15027 7.948569 -18.50790      12.72569 
1 1 1 -12 10 58 o 15.75337 7.063624 -3.731274      22.54468 11.99541       34.11893 -15.91915      30.03592 21.07189 9.088795 16.44138 7.657922 4.630510       11.88486 
1 1 1 -12 10 59 o 19.55247 7.902423 15.93568       23.39899 11.42458       34.90326 19.61809       31.53486 20.92799 9.108798 21.66423 9.009330 -0.7362347     12.81164 
1 1 1 -12 11 1  f 272.1370 5.350777 3631.140       142.5314 3668.873       203.8091 3595.021       199.4030 273.1853 7.629314 270.4337 7.540302 2.751617       10.72672 
1 1 1 -12 11 2  o 104.9652 4.127901 540.6422       42.32854 471.3000       58.82441 615.1000       60.95564 97.81919 6.175176 111.8572 5.584954 -14.03803      8.326134 
1 1 1 -12 11 3  o 283.7893 7.853746 3960.339       217.9522 3975.000       309.9532 3946.000       306.5372 283.6252 11.18659 282.6072 11.10298 1.017944       15.76122 
1 1 1 -12 11 4  o 150.9306 3.492659 1115.787       51.59882 1033.358       71.40937 1205.845       74.64137 145.0988 5.035516 156.7686 4.870140 -11.66983      7.005332 
1 1 1 -12 11 5  o 206.8065 4.287992 2095.779       86.80093 1946.634       118.2116 2270.280       127.8661 199.0957 6.072957 215.0235 6.081348 -15.92783      8.594393 
1 1 1 -12 11 6  o 25.74200 5.813461 33.80123       14.30073 37.70609       21.50630 30.70606       19.14721 27.34021 7.706694 24.83529 7.355396 2.504925       10.65340 
1 1 1 -12 11 7  o 75.51025 3.113287 279.7230       22.96143 246.0430       32.68966 312.5221       32.25934 70.68697 4.752211 79.75330 4.146624 -9.066330      6.306980 
1 1 1 -12 11 8  o 276.0431 5.431087 3737.586       146.7472 3609.850       203.9597 3874.679       211.2986 270.8750 7.700346 280.6431 7.699218 -9.768066      10.88914 
1 1 1 -12 11 9  o 116.4498 3.172105 664.6860       36.12334 645.6078       51.26110 683.5060       50.91293 114.6694 4.576223 118.0050 4.415586 -3.335533      6.359184 
1 1 1 -12 11 10 o 171.0232 4.400168 1434.675       73.59860 1394.429       88.64153 1524.000       132.0571 168.5121 5.380925 175.8764 7.689510 -7.364288      9.385250 
1 1 1 -12 11 11 o 109.9816 3.746833 593.3751       40.27689 589.0000       75.45388 595.1184       47.63036 109.2457 7.094576 110.0924 4.429020 -0.8467255     8.363565 
1 1 1 -12 11 12 o 98.90294 3.059582 479.5828       29.58386 468.8623       41.40051 490.7686       42.28944 97.70172 4.339928 99.96309 4.332299 -2.261368      6.132193 
1 1 1 -12 11 13 o 102.8183 3.092879 518.3082       31.09178 506.9229       43.38306 530.3315       44.58228 101.5908 4.372983 103.9125 4.393081 -2.321701      6.198560 
1 1 1 -12 11 14 o 222.7931 4.560362 2434.186       99.45055 2332.250       137.3408 2546.555       144.1983 217.7650 6.450365 227.5533 6.480569 -9.788315      9.143577 
1 1 1 -12 11 15 o 73.27309 3.152959 263.5145       22.56064 267.9132       30.64370 258.3084       33.33738 73.79734 4.260340 72.41376 4.729190 1.383583       6.365198 
1 1 1 -12 11 16 o 142.8553 3.973438 1001.229       55.50692 973.8838       67.76183 1057.000       96.77225 140.7965 4.924432 146.4489 6.769164 -5.652359      8.370879 
1 1 1 -12 11 17 o 98.01458 3.564719 471.4565       34.14273 463.5010       41.50817 488.1000       60.03788 97.11533 4.377818 99.46327 6.197546 -2.347946      7.587810 
1 1 1 -12 11 18 o 184.0886 3.996572 1661.623       72.01463 1573.728       98.57462 1762.229       105.4620 178.9026 5.636172 189.3147 5.697706 -10.41208      8.014380 
1 1 1 -12 11 19 o 98.61952 3.169239 477.0620       30.55342 458.1043       41.23951 500.1299       45.49076 96.53851 4.375595 100.8540 4.620397 -4.315475      6.363482 
1 1 1 -12 11 20 o 57.95124 3.967224 165.4537       22.36805 162.3000       30.25342 169.2564       33.22081 57.22153 5.467849 58.38781 5.893324 -1.166271      8.039193 
1 1 1 -12 11 21 o 106.1412 3.578103 552.9379       37.12119 522.6000       56.62485 575.8024       49.15801 102.9640 5.639973 108.2120 4.651878 -5.247932      7.310900 
1 1 1 -12 11 22 o 146.7802 3.529054 1056.294       50.70279 978.4611       68.54636 1150.329       75.34385 141.0588 4.972305 152.9510 5.039444 -11.89218      7.079535 
1 1 1 -12 11 23 o 150.9254 3.588735 1117.020       53.01636 1091.719       73.44191 1144.551       76.61140 148.9785 5.043602 152.5303 5.138680 -3.551773      7.200274 
1 1 1 -12 11 24 o 156.1082 3.623029 1195.269       55.36098 1111.318       75.45462 1293.152       81.47615 150.2760 5.137229 162.1171 5.140968 -11.84103      7.267784 
1 1 1 -12 11 25 o 66.83617 3.352451 219.6222       21.86208 190.7743       28.64536 259.8663       33.83359 62.12723 4.746424 72.55965 4.790529 -10.43242      6.743716 
1 1 1 -12 11 26 o 113.5708 3.191962 633.0601       35.44865 591.0075       48.17539 682.7130       52.34807 109.5742 4.501282 117.7752 4.549443 -8.200943      6.399920 
1 1 1 -12 11 27 o 86.01162 3.157036 363.3760       26.53416 348.3490       36.06495 381.1091       39.17800 84.06774 4.398077 87.91847 4.568231 -3.850731      6.341279 
1 1 1 -12 11 28 o 77.80547 3.171103 297.5471       24.09993 270.6315       32.29681 331.3639       36.20130 74.03429 4.477705 81.94014 4.531223 -7.905846      6.370387 
1 1 1 -12 11 29 o 56.57412 3.563201 157.8511       19.63147 140.9202       25.69409 181.5967       30.42876 53.23486 4.989086 60.45450 5.192456 -7.219643      7.200873 
1 1 1 -12 11 30 o 99.96400 3.209278 491.3103       31.36130 478.9453       43.48820 504.7083       45.26850 98.47380 4.523829 101.0801 4.587305 -2.606308      6.442701 
1 1 1 -12 11 31 o 79.07145 3.278530 307.8330       25.31990 282.0086       33.79150 340.8942       38.23412 75.45412 4.597102 82.95734 4.728161 -7.503220      6.594608 
1 1 1 -12 11 32 o 81.09161 3.261224 323.9055       25.83307 323.5692       35.00446 324.3078       38.28213 80.82909 4.441420 80.82758 4.861184 0.1502991E-02  6.584628 
1 1 1 -12 11 33 o 75.99309 3.385752 284.8429       25.12139 300.0069       34.41945 267.5569       36.74886 77.75658 4.542090 73.26826 5.157092 4.488319       6.872131 
1 1 1 -12 11 34 o 32.17204 6.058892 53.33440       18.38015 55.92589       23.54058 49.28740       29.41769 32.64840 7.521213 30.70963 9.122639 1.938774       11.82333 
1 1 1 -12 11 35 o 49.73213 4.260082 123.3416       20.53817 117.8507       26.72658 131.2603       32.09570 48.22812 5.776339 50.67447 6.629526 -2.446346      8.792992 
1 1 1 -12 11 36 o 38.57473 6.144465 76.46110       22.42270 71.29857       25.87253 92.04000       44.94446 36.85308 7.429155 40.91535 10.99020 -4.062267      13.26563 
1 1 1 -12 11 37 o 19.60162 7.241067 15.89916       18.36978 16.46671       23.27820 14.96231       29.90788 21.03269 8.067097 22.40723 8.976675 -1.374542      12.06892 
1 1 1 -12 11 38 o 22.75520 7.738109 25.09787       20.59863 57.96000       27.86127 -14.52035      30.59148 32.82166 8.578286 17.83854 8.091806 14.98312       11.79255 
1 1 1 -12 11 39 o 51.37854 5.803702 134.6151       28.67695 139.0000       35.29662 126.1000       49.18669 51.69296 7.168498 47.52931 10.81660 4.163651       12.97637 
1 1 1 -12 11 40 o 94.22262 3.538533 440.3701       32.57709 405.6532       44.10181 482.0629       48.32987 89.81198 5.036856 97.91643 5.059754 -8.104446      7.139400 
1 1 1 -12 11 41 o 54.98331 4.587042 152.3315       24.46237 168.2000       33.23721 133.5764       36.13410 57.22184 6.024403 50.23305 7.584981 6.988792       9.686350 
1 1 1 -12 11 42 o 35.29448 8.315570 68.46043       28.25281 57.29000       54.49049 72.56753       33.04100 32.99684 12.41525 35.96852 9.312443 -2.971676      15.51966 
1 1 1 -12 11 43 o 47.63134 6.585979 119.4970       29.88498 44.39000       58.04024 146.5935       34.86147 30.97599 12.47193 52.63855 6.934563 -21.66256      14.27015 
1 1 1 -12 11 44 o 41.21224 7.478105 92.15710       29.05579 82.32000       57.27186 95.56656       33.71714 36.61879 12.88046 41.36692 8.607594 -4.748131      15.49184 
1 1 1 -12 11 45 o 22.88501 8.139966 26.21848       22.92530 25.96513       32.08451 26.48276       32.76884 24.23498 9.423668 24.44808 9.518808 -0.2131023     13.39452 
1 1 1 -12 11 46 o 59.22302 5.237868 180.8407       30.05075 182.7415       37.44260 177.4000       50.37493 58.66059 6.637464 55.54795 9.612743 3.112640       11.68164 
1 1 1 -12 11 47 o 29.78815 10.01646 51.20895       34.51078 95.95000       53.49757 19.32000       45.16491 38.49723 12.45039 25.10312 10.63120 13.39410       16.37176 
1 1 1 -12 11 48 o 54.26267 5.462493 153.3932       28.61899 179.7269       36.00414 108.2000       47.16644 58.11812 6.436768 41.48732 11.30780 16.63080       13.01147 
1 1 1 -12 11 49 o 57.31308 5.370205 171.0508       29.77577 170.5048       35.69534 172.3000       53.98894 56.38929 6.591281 53.12014 10.75280 3.269157       12.61220 
1 1 1 -12 11 50 o 17.14941 7.364367 3.457520       22.21205 40.50189       31.58854 -32.77282      31.23954 26.74614 9.550489 15.39016 7.356886 11.35598       12.05552 
1 1 1 -12 11 51 o 47.61914 6.160252 121.8213       28.04135 147.2000       49.21217 109.6199       34.12270 48.47147 10.66271 43.63824 8.291643 4.833225       13.50721 
1 1 1 -12 11 52 o 41.71586 6.150201 93.83114       24.36037 108.3368       35.94446 81.50884       33.12905 42.91294 8.851288 36.79852 9.218025 6.114418       12.77957 
1 1 1 -12 11 53 o 18.55864 7.644312 10.74996       22.40628 -3.686770      33.41631 22.54255       30.20153 19.04142 8.563784 22.53884 9.023617 -3.497417      12.44042 
1 1 1 -12 11 54 o 58.19848 4.666393 175.2720       26.36013 199.3013       39.37264 155.7514       35.48710 60.34542 6.782987 53.11387 6.995768 7.231548       9.744212 
1 1 1 -12 11 55 o 18.80572 7.693986 11.95663       22.50298 31.59671       33.40057 -4.368379      30.45151 24.66484 9.608159 18.14581 8.166823 6.519024       12.61006 
1 1 1 -12 11 56 o 19.82638 7.867968 16.53293       22.76195 25.28049       34.22583 9.595604       30.47943 23.47162 9.531517 20.14278 8.637836 3.328835       12.86320 
1 1 1 -12 11 57 o 26.56186 8.116733 41.64560       23.05092 41.12812       34.32881 42.07050       31.10669 26.41346 9.871704 26.52777 9.476826 -0.1143169     13.68433 
1 1 1 -12 11 58 o 26.28539 8.171711 41.24738       23.24367 76.67601       34.89769 12.99839       31.16168 34.42550 9.855217 20.60788 8.782864 13.81762       13.20091 
1 1 1 -12 11 59 o 12.78905 6.168822 -28.52900      23.11745 -4.988491      33.64178 -49.58932      31.82024 18.50939 8.431074 13.90810 6.824530 4.601291       10.84699 
1 1 1 -12 12 1  o 174.9145 5.364242 1501.878       91.73322 1385.000       125.7104 1635.000       134.1624 167.6934 7.678980 182.2493 7.536970 -14.55597      10.75977 
1 1 1 -12 12 2  o 62.01246 4.139571 189.2766       24.98310 140.1000       37.55935 228.3000       33.45812 52.88211 7.463359 68.04910 5.059310 -15.16699      9.016560 
1 1 1 -12 12 3  f 456.7220 8.622957 10264.73       385.4911 10683.48       562.4370 9893.736       529.3958 464.4468 12.38281 447.0547 12.10915 17.39209       17.31951 
1 1 1 -12 12 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 12 5  o 36.17706 5.005700 65.39026       17.25131 69.67444       25.04085 61.52000       23.80046 37.03604 7.166572 34.74562 7.233564 2.290417       10.18254 
1 1 1 -12 12 6  o 232.0955 4.695786 2640.929       106.6796 2705.836       154.2364 2581.399       147.7104 234.6235 6.722911 229.1798 6.591433 5.443634       9.415122 
1 1 1 -12 12 7  o 183.5049 3.957581 1650.124       71.08594 1596.044       100.0561 1705.242       101.0122 180.2646 5.677649 186.3503 5.543966 -6.085648      7.935443 
1 1 1 -12 12 8  o 169.5635 3.761789 1408.789       62.43570 1400.739       89.27998 1416.494       87.34660 168.8879 5.407662 169.8515 5.260103 -0.9636078     7.543971 
1 1 1 -12 12 9  o 158.2874 4.215258 1228.929       65.25143 1218.729       79.49136 1250.000       114.2504 157.5418 5.161839 159.2848 7.347653 -1.742935      8.979566 
1 1 1 -12 12 10 o 92.01360 3.703824 415.5281       33.29049 314.2000       61.81587 456.9213       39.50933 79.49979 8.054826 96.45865 4.194612 -16.95886      9.081574 
1 1 1 -12 12 11 f 46.54265 3.750220 106.8385       16.94043 118.4729       23.72063 94.72778       24.20137 48.88882 5.028528 43.54525 5.823855 5.343571       7.694373 
1 1 1 -12 12 12 o 228.8154 4.654680 2567.670       104.2512 2512.929       146.0516 2624.532       148.8554 226.0323 6.608398 231.0043 6.589953 -4.972015      9.332652 
1 1 1 -12 12 13 o 137.2281 3.374107 922.6904       45.32192 882.6075       63.41701 964.5342       64.79494 134.0471 4.841234 140.1493 4.730062 -6.102188      6.768384 
1 1 1 -12 12 14 o 91.74523 3.099900 412.8286       27.79797 402.1997       38.99998 423.8048       39.63218 90.45441 4.418189 92.86179 4.372462 -2.407379      6.216013 
1 1 1 -12 12 15 o 124.6739 3.695190 762.5211       45.04422 746.5189       55.32090 794.0000       77.59087 123.2780 4.592586 126.9483 6.263550 -3.670280      7.766846 
1 1 1 -12 12 16 f 124.1625 3.732161 756.3620       45.30685 715.9274       54.67274 845.0000       80.94769 120.7127 4.635745 130.9513 6.334005 -10.23856      7.849188 
1 1 1 -12 12 17 o 97.12894 3.162205 462.7435       30.02380 414.6723       40.31025 522.6378       44.99514 91.82988 4.498303 103.1219 4.468280 -11.29202      6.340368 
1 1 1 -12 12 18 o 52.66470 3.672597 136.6228       18.81348 136.9438       23.89445 136.0992       30.51676 52.62014 4.688197 52.26939 6.077869 0.3507423      7.675916 
1 1 1 -12 12 19 o 120.1395 3.669816 708.2556       43.10493 685.9000       67.88986 723.3546       55.79389 117.9791 5.897565 121.3126 4.707601 -3.333473      7.546044 
1 1 1 -12 12 20 o 143.6938 3.954977 1013.416       55.57441 925.9000       87.06371 1073.594       72.19594 137.0042 6.510910 147.7784 4.998287 -10.77422      8.208217 
1 1 1 -12 12 21 o 111.1621 3.991391 606.9243       43.35925 535.3000       78.84330 637.9777       51.91464 103.8441 7.814017 113.9012 4.666334 -10.05713      9.101294 
1 1 1 -12 12 22 o 27.25139 5.892448 37.94110       15.25932 25.49715       18.04843 69.13129       28.57388 22.88919 7.213352 36.68792 8.166920 -13.79873      10.89638 
1 1 1 -12 12 23 o 180.7396 5.799206 1609.148       102.4627 1586.000       147.0383 1631.000       142.8602 178.7938 8.425488 181.4201 8.065043 -2.626282      11.66335 
1 1 1 -12 12 24 o 117.8192 3.976154 682.0902       45.78917 598.5000       83.44743 718.1012       54.77127 109.7079 7.822168 120.8070 4.640481 -11.09903      9.095075 
1 1 1 -12 12 25 o 140.2567 4.095411 966.7980       56.16450 991.6000       103.5928 956.4725       66.84091 141.3566 7.513982 139.3786 4.907024 1.978058       8.974342 
1 1 1 -12 12 26 o 121.6385 3.948388 727.4016       46.94846 688.8000       85.79906 743.8992       56.09082 117.6730 7.487869 122.9020 4.671084 -5.229027      8.825373 
1 1 1 -12 12 27 o 184.2730 4.728984 1672.399       85.22693 1470.000       142.5302 1785.043       106.3305 171.5369 8.515360 190.1069 5.720687 -18.57007      10.25854 
1 1 1 -12 12 28 o 107.3743 3.175921 566.3909       33.34256 526.1755       45.52811 612.9097       48.96640 103.2874 4.514151 111.4938 4.496068 -8.206383      6.371201 
1 1 1 -12 12 29 o 199.9998 4.988122 1973.843       97.65010 1749.000       161.9778 2102.217       122.3922 186.4055 8.903233 205.9054 6.079325 -19.49991      10.78080 
1 1 1 -12 12 30 o 108.4315 3.202961 578.1877       33.95761 576.1755       47.20644 580.3455       48.88412 107.9972 4.475325 108.3551 4.619661 -0.3578796     6.431936 
1 1 1 -12 12 31 o 82.18044 3.200219 332.5038       25.69351 322.7379       34.77390 344.2456       38.12975 80.74541 4.416581 83.34040 4.693107 -2.594994      6.444489 
1 1 1 -12 12 32 o 28.78552 5.985253 42.74220       16.31353 21.85741       20.18428 82.08484       27.70321 21.92844 7.651490 39.83334 7.376817 -17.90490      10.62839 
1 1 1 -12 12 33 o 12.16518 5.624570 -12.56277      15.75385 -2.914560      19.16922 -32.63841      27.65132 15.47260 6.742160 14.83365 7.042942 0.6389523      9.749859 
1 1 1 -12 12 34 o 46.72810 4.325591 109.0196       19.56019 111.4335       25.04016 105.2409       31.32938 46.95224 5.556000 45.08408 7.352580 1.868160       9.215724 
1 1 1 -12 12 35 o 54.54917 4.443275 148.5410       23.51922 135.1295       27.04924 190.1000       47.61563 51.76040 5.419122 60.44317 8.264358 -8.682770      9.882636 
1 1 1 -12 12 36 o 13.28903 6.019171 -8.813618      16.85157 9.841166       20.84808 -43.97396      28.62183 18.75838 7.501556 14.06877 6.805151 4.689610       10.12835 
1 1 1 -12 12 37 o 56.16671 4.394999 157.7299       23.97034 157.4000       33.75869 158.0653       34.04144 55.49081 6.328220 55.59367 6.370646 -0.1028595     8.979505 
1 1 1 -12 12 38 o 25.74076 7.539100 34.75791       20.20967 6.312000       26.96476 71.21651       30.52718 19.86532 8.301456 36.30653 8.703241 -16.44122      12.02749 
1 1 1 -12 12 39 o 118.5118 3.897162 697.9426       45.14662 744.0000       74.55669 671.2773       56.72972 120.8922 6.322578 115.6462 5.023544 5.246017       8.075333 
1 1 1 -12 12 40 o 46.09853 5.824241 109.1123       25.69491 106.0599       29.86979 117.8000       50.39151 44.98224 7.012582 45.33334 11.37593 -0.3511009     13.36368 
1 1 1 -12 12 41 o 28.99430 7.459897 45.39042       21.29293 21.92066       28.31208 75.95160       32.30743 23.14265 8.891504 37.01947 9.003695 -13.87682      12.65407 
1 1 1 -12 12 42 o 42.43532 5.630527 93.14885       22.81085 98.01118       30.73808 87.18872       34.03158 42.64233 7.645115 39.50958 9.001371 3.132748       11.80985 
1 1 1 -12 12 43 o 15.13509 6.775218 -6.319747      20.64872 -36.90643      27.49513 33.24557       31.27137 14.02826 6.756760 25.82762 9.463516 -11.79936      11.62807 
1 1 1 -12 12 44 o 35.83287 8.289649 71.81220       28.49722 55.71000       55.69970 77.52154       33.16676 32.04820 12.42907 36.77928 9.228956 -4.731079      15.48081 
1 1 1 -12 12 45 o 48.04782 8.172427 127.7026       37.06046 213.2000       60.88510 77.38000       46.71068 60.07538 10.74865 35.51704 11.64421 24.55834       15.84680 
1 1 1 -12 12 46 o 33.29813 8.612859 63.35114       28.28129 37.58000       53.66695 73.25955       33.27684 28.83616 11.84916 35.40785 9.432568 -6.571686      15.14516 
1 1 1 -12 12 47 o 19.80099 7.778930 15.38112       22.04724 6.798167       31.10030 24.05208       31.25933 20.35479 8.726995 23.48614 9.251653 -3.131355      12.71824 
1 1 1 -12 12 48 o 39.46591 8.711018 89.86952       32.74870 89.86952       32.74870 0.000000       0.000000 39.46591 8.711018 ?        ?        ?              ?        
1 1 1 -12 12 49 o 16.46849 7.344911 -4.134396      24.03065 -29.17268      29.91906 41.38000       40.33853 15.34725 7.298047 27.60901 10.61179 -12.26176      12.87911 
1 1 1 -12 12 50 o 28.25506 9.289833 47.20325       29.72254 80.32000       43.82656 19.00000       40.44485 35.10871 11.26122 23.71993 10.05354 11.38878       15.09598 
1 1 1 -12 12 51 o 26.53996 8.195995 40.73507       23.42664 25.17530       34.12090 54.61048       32.22120 23.66732 9.550848 29.93402 9.660865 -6.266699      13.58495 
1 1 1 -12 12 52 o 43.25005 5.936986 100.2400       24.47127 104.2466       36.60657 97.00282       32.90397 41.74256 9.206959 40.76585 8.520853 0.9767113      12.54484 
1 1 1 -12 12 53 o 31.04477 7.750404 55.65997       23.47735 63.08178       35.61125 49.95433       31.22370 31.68028 10.14998 28.73334 9.524738 2.946949       13.91915 
1 1 1 -12 12 54 o 44.98393 5.602566 107.7060       24.13578 158.5113       36.29677 67.43513       32.31538 53.46591 7.111828 33.05289 9.490339 20.41302       11.85937 
1 1 1 -12 12 55 o 28.71424 7.961267 48.30276       23.15420 82.03807       34.16607 19.64947       31.48763 36.41663 9.490369 22.08401 9.075573 14.33262       13.13138 
1 1 1 -12 12 56 f 28.48991 8.065226 47.81652       23.50224 78.15010       35.55203 24.27082       31.32264 35.12021 9.911845 22.87899 9.179390 12.24122       13.50947 
1 1 1 -12 12 57 o 20.08456 7.900690 18.09033       22.76874 63.43522       34.61578 -16.48783      30.22810 31.37533 10.00232 16.45380 7.669950 14.92153       12.60454 
1 1 1 -12 12 58 o 45.67456 6.952017 117.7513       30.10155 136.6263       37.50665 83.59000       50.45823 47.99162 8.283586 33.58608 12.06142 14.40553       14.63201 
1 1 1 -12 12 59 o 25.78067 9.617138 40.99450       32.55059 27.47000       52.25467 49.57000       41.60968 25.01700 11.00979 27.54531 10.72584 -2.528303      15.37072 
1 1 1 -12 13 1  f 144.7671 3.410942 1026.654       48.33375 1004.433       69.62312 1047.326       67.15231 143.0297 4.980630 146.0803 4.702504 -3.050644      6.849834 
1 1 1 -12 13 2  o 133.4990 3.296684 873.0018       43.07860 845.4118       62.24343 898.3678       59.68195 131.2158 4.854567 135.2977 4.512889 -4.081879      6.628197 
1 1 1 -12 13 3  o 142.5172 4.726416 996.9586       65.84218 879.5000       89.87887 1133.000       96.72768 133.6190 6.895325 151.7489 6.527333 -18.12994      9.494819 
1 1 1 -12 13 4  o 172.1854 5.297486 1455.730       89.17754 1316.000       120.9788 1622.000       131.9689 163.4190 7.583789 181.4836 7.444761 -18.06462      10.62724 
1 1 1 -12 13 5  o 104.8317 3.072975 538.7360       31.49843 523.0835       46.26097 552.2645       43.00774 103.1901 4.591550 106.0700 4.150371 -2.879837      6.189339 
1 1 1 -12 13 6  o 166.3560 3.707872 1356.005       60.37673 1340.092       86.44125 1371.163       84.36768 165.1864 5.353209 167.1124 5.163959 -1.925934      7.437965 
1 1 1 -12 13 7  o 329.4435 7.369517 5336.851       237.6436 5394.464       293.8798 5228.000       403.9491 330.6904 9.087697 324.3107 12.74988 6.379700       15.65713 
1 1 1 -12 13 8  f 96.76427 3.629667 459.4344       34.31765 468.4000       68.00820 456.3717       39.74954 97.34466 7.188155 96.39681 4.222973 0.9478455      8.336850 
1 1 1 -12 13 9  f 70.97243 3.167974 247.2393       21.95238 202.5025       31.26956 290.7156       30.82589 64.05467 5.027554 76.90302 4.110043 -12.84834      6.493747 
1 1 1 -12 13 10 o 73.75921 3.406135 267.1234       24.52507 284.3000       40.12724 256.8813       30.98596 75.91685 5.435993 72.24811 4.402494 3.668739       6.995140 
1 1 1 -12 13 11 o 165.8299 3.717813 1347.724       60.34713 1274.638       83.83274 1426.328       86.93948 161.0670 5.324738 170.4042 5.218464 -9.337189      7.455549 
1 1 1 -12 13 12 o 80.11703 3.076540 314.9112       24.08162 309.0583       34.21518 320.6567       33.90012 79.26311 4.427627 80.75230 4.304394 -1.489189      6.175086 
1 1 1 -12 13 13 o 302.6562 5.899537 4499.799       174.7728 4556.294       249.9493 4445.751       244.4736 303.8536 8.412004 300.1667 8.328817 3.686951       11.83769 
1 1 1 -12 13 14 o 178.7311 4.488092 1567.903       78.45570 1552.542       96.41950 1598.000       134.9665 177.7185 5.549560 179.9474 7.680229 -2.228882      9.475417 
1 1 1 -12 13 15 o 108.9422 3.616530 582.3690       38.51163 528.8792       46.53702 698.6000       68.59997 103.7266 4.594954 119.0914 5.903275 -15.36478      7.480793 
1 1 1 -12 13 16 o 146.8868 3.536233 1057.524       50.84285 960.2947       68.95739 1173.340       75.26070 139.7732 5.048526 154.5282 4.982214 -14.75496      7.092959 
1 1 1 -12 13 17 o 99.78320 3.917486 488.9673       38.18796 388.4000       69.75338 532.0110       45.63436 88.35503 8.157491 104.0350 4.491907 -15.67999      9.312458 
1 1 1 -12 13 18 o 103.8542 3.517040 529.3062       35.70101 480.8000       53.79998 567.4723       47.72235 98.76273 5.588023 107.4421 4.548042 -8.679382      7.204907 
1 1 1 -12 13 19 o 104.1792 3.521449 532.6729       35.85782 490.5000       54.22522 565.4456       47.80132 99.74716 5.576051 107.2398 4.564280 -7.492592      7.205900 
1 1 1 -12 13 20 o 45.40322 4.209998 102.0105       18.49695 114.5023       23.47426 81.55179       30.04132 48.01613 5.071092 39.94805 7.962352 8.068081       9.440076 
1 1 1 -12 13 21 o 270.3660 5.378484 3593.525       142.3371 3556.818       200.4707 3630.843       202.1297 268.2673 7.642222 271.0523 7.626105 -2.784943      10.79634 
1 1 1 -12 13 22 o 75.25514 4.068849 278.7264       29.86041 270.8000       36.37705 295.1000       52.28289 74.06136 5.048166 77.03159 7.010743 -2.970238      8.639126 
1 1 1 -12 13 23 o 154.0804 3.617698 1164.663       54.56145 1067.701       73.88194 1280.981       80.92062 147.2626 5.133391 161.3181 5.131244 -14.05551      7.258193 
1 1 1 -12 13 24 o 120.5195 3.267474 712.8928       38.51012 712.7277       53.88483 713.0652       55.05717 120.3409 4.582912 120.3547 4.682458 -0.1385498E-01 6.551984 
1 1 1 -12 13 25 o 171.3985 4.515408 1445.202       75.68881 1414.000       134.2601 1459.738       91.63880 168.5574 8.161798 172.0579 5.448115 -3.500549      9.813099 
1 1 1 -12 13 26 o 80.81570 4.041889 321.7361       31.87173 298.1000       64.12260 329.4914       36.73020 76.86947 8.673460 81.70711 4.611301 -4.837639      9.823085 
1 1 1 -12 13 27 o 158.4225 3.642880 1232.931       56.48952 1117.789       76.00538 1375.028       84.43430 150.4722 5.168052 166.9069 5.174440 -16.43465      7.313248 
1 1 1 -12 13 28 f 115.6195 3.938339 658.2648       44.50571 525.3000       78.58621 721.0464       54.00007 102.2874 7.910495 120.8874 4.571834 -18.60000      9.136607 
1 1 1 -12 13 29 o 51.31042 4.083378 130.4490       20.33933 120.9959       23.12886 162.7000       42.72079 49.27467 4.858539 56.48977 7.945428 -7.215096      9.313175 
1 1 1 -12 13 30 o 85.31632 3.169487 358.2381       26.42237 307.9875       35.10823 423.8799       40.12627 78.85247 4.568259 92.57524 4.441158 -13.72277      6.371254 
1 1 1 -12 13 31 o 56.18048 3.623037 156.0768       19.81722 152.9970       25.92084 160.4092       30.74391 55.39985 4.828257 56.55556 5.628264 -1.155708      7.415485 
1 1 1 -12 13 32 o 42.96507 4.330757 92.14600       17.96490 82.17710       22.62945 109.1371       29.54343 40.19500 5.929554 46.21995 6.727487 -6.024952      8.967647 
1 1 1 -12 13 33 o 31.23821 5.870637 50.26046       17.29169 43.53530       21.13366 63.88134       30.07642 28.80633 7.442463 34.66013 8.838959 -5.853796      11.55498 
1 1 1 -12 13 34 o 49.40319 4.676849 122.2271       22.34667 134.2236       26.04056 88.71000       43.52674 51.65188 5.222261 40.30855 10.81031 11.34333       12.00561 
1 1 1 -12 13 35 o 18.44785 6.990049 12.81620       17.34254 22.57623       21.48057 -5.456123      29.39118 22.25140 7.882823 18.76344 8.257370 3.487965       11.41591 
1 1 1 -12 13 36 o 31.39171 6.644479 51.64796       19.77920 54.15000       26.29679 48.38847       30.01448 31.81826 8.342698 30.24679 9.265624 1.571472       12.46805 
1 1 1 -12 13 37 o 37.75261 5.733363 73.16129       20.52142 86.94000       27.71711 56.44436       30.52966 40.73043 7.216331 32.34064 9.204700 8.389782       11.69624 
1 1 1 -12 13 38 o 25.85292 7.163553 35.31698       18.75292 20.14507       24.01915 59.00444       30.01212 22.01638 8.251424 32.95189 9.035847 -10.93551      12.23652 
1 1 1 -12 13 39 o 41.59746 5.226909 88.19705       20.81355 98.73312       27.46318 73.97915       31.90283 43.54609 6.653955 36.77992 8.948191 6.766171       11.15102 
1 1 1 -12 13 40 f 24.81598 7.712930 32.33342       20.70847 31.11000       27.63870 33.89929       31.26845 25.22483 8.941125 26.38131 9.492210 -1.156473      13.04016 
1 1 1 -12 13 41 o 62.28031 4.629746 195.8798       28.02184 190.9277       32.92223 208.9000       53.38326 61.06765 5.568931 61.77267 9.101248 -0.7050171     10.66985 
1 1 1 -12 13 42 o 36.32914 6.202859 69.64926       21.26612 64.42480       27.72368 77.11793       33.14760 34.02531 8.380272 36.89492 9.208353 -2.869602      12.45081 
1 1 1 -12 13 43 f 107.1288 3.555640 572.9560       37.23300 582.3761       52.17143 563.1780       53.15311 106.9904 4.995540 105.0548 5.185023 1.935616       7.199992 
1 1 1 -12 13 44 o 35.84444 7.430946 70.47955       25.21513 82.18595       30.48822 45.14000       44.85593 38.27450 8.371543 29.35983 11.21389 8.914663       13.99407 
1 1 1 -12 13 45 o 16.69206 7.598468 -11.12695      27.27082 31.72000       54.80605 -25.22655      31.43924 28.21917 11.81673 16.38706 7.697777 11.83211       14.10287 
1 1 1 -12 13 46 f 44.56452 6.851116 107.0518       28.92986 85.37000       54.08786 115.7402       34.23912 36.44629 12.53521 45.68451 7.945125 -9.238213      14.84104 
1 1 1 -12 13 47 o 50.41036 7.731692 140.3604       36.93503 163.6000       54.94390 121.2000       49.88921 51.44593 11.22708 43.79658 11.49470 7.649345       16.06784 
1 1 1 -12 13 48 o 49.02502 6.010028 127.4387       28.23778 124.1000       50.68552 128.9414       34.00365 44.00555 11.60357 48.39448 7.414167 -4.388927      13.76999 
1 1 1 -12 13 49 o 51.66162 5.681871 140.8522       28.25822 131.8000       47.14087 145.9294       35.30432 45.99584 10.67663 51.51942 7.196968 -5.523575      12.87582 
1 1 1 -12 13 50 o 50.67792 5.876697 136.7023       28.61152 104.2113       36.05014 192.0000       47.03035 41.93807 9.047974 57.75542 8.579426 -15.81735      12.46886 
1 1 1 -12 13 51 o 30.50208 8.504084 54.93626       26.33932 49.47012       34.12654 62.99000       41.42387 28.65773 9.952221 31.45078 10.96219 -2.793056      14.80596 
1 1 1 -12 13 52 o 46.32153 6.372700 116.5309       28.12938 130.3774       37.39285 98.48000       42.69407 47.46373 8.353528 38.97223 10.81262 8.491501       13.66361 
1 1 1 -12 13 53 o 26.61727 8.154738 41.28102       23.24798 26.88571       35.26112 52.35010       30.92014 24.00358 9.701050 29.28950 9.464749 -5.285925      13.55330 
1 1 1 -12 13 54 o 28.40770 7.886750 47.02197       22.70619 52.21323       33.14350 42.43050       31.17009 29.13590 9.816126 26.83635 9.496799 2.299547       13.65817 
1 1 1 -12 13 55 o 30.31332 7.733578 53.51982       23.01772 46.99616       33.90928 59.09433       31.34560 27.79196 9.898235 30.83681 9.473051 -3.044847      13.70087 
1 1 1 -12 13 56 o 22.19087 8.095572 26.25095       22.84678 19.87174       34.75588 31.10490       30.31743 22.54346 9.422988 24.07698 9.213488 -1.533518      13.17881 
1 1 1 -12 13 57 o 26.16586 9.003129 41.28247       27.90216 60.83836       34.65228 5.226000       47.05271 30.62271 10.02864 22.38310 10.10578 8.239613       14.23729 
1 1 1 -12 13 58 o 33.92717 8.331105 70.09348       27.46083 128.3000       54.23445 50.02591       31.84468 41.16449 12.42382 27.94330 9.618049 13.22119       15.71172 
1 1 1 -12 14 1  o 347.6393 6.676306 5937.964       227.1806 6193.401       331.8168 5712.573       311.6907 354.1782 9.580085 340.2070 9.368888 13.97116       13.39978 
1 1 1 -12 14 2  o 115.4311 4.336246 654.1122       48.90689 553.9000       68.18481 760.3000       70.18826 105.9767 6.605964 124.3220 5.783650 -18.34538      8.780055 
1 1 1 -12 14 3  o 121.0822 3.690150 719.0591       43.68410 717.6420       55.81267 721.3000       70.18544 120.8802 4.726168 121.0660 5.940825 -0.1858292     7.591446 
1 1 1 -12 14 4  o 230.2498 4.675580 2599.725       105.3758 2531.025       147.8010 2670.746       150.2777 226.8614 6.663178 233.0556 6.594251 -6.194260      9.374545 
1 1 1 -12 14 5  o 302.5644 5.889707 4494.528       174.4286 4545.173       249.7496 4446.300       243.7195 303.6528 8.410848 300.3582 8.297762 3.294647       11.81504 
1 1 1 -12 14 6  o 64.97917 4.102385 207.7897       25.95938 184.1054       31.30775 259.9000       46.43899 61.02610 5.293497 72.42619 6.623852 -11.40010      8.479182 
1 1 1 -12 14 7  o 137.2443 3.923995 923.9704       52.66024 839.7000       93.89223 962.6439       63.60611 130.4400 7.383970 140.0260 4.647143 -9.585999      8.724617 
1 1 1 -12 14 8  o 65.70555 3.265081 212.0339       20.93339 195.9719       31.35466 224.9507       28.11772 62.99007 5.129757 67.60120 4.271156 -4.611126      6.675117 
1 1 1 -12 14 9  o 75.56698 3.122230 280.2265       23.04447 249.0286       33.40508 308.5543       31.83144 71.08533 4.829618 79.22651 4.118825 -8.141174      6.347435 
1 1 1 -12 14 10 o 185.1514 3.996130 1680.561       72.42237 1643.060       102.6050 1717.793       102.2374 182.8229 5.740769 186.9592 5.593009 -4.136230      8.014873 
1 1 1 -12 14 11 o 139.7724 3.404505 957.3304       46.57809 912.9876       65.54250 1002.575       66.20525 136.3163 4.920190 142.8754 4.740569 -6.559113      6.832368 
1 1 1 -12 14 12 o 104.8873 3.548698 539.7899       36.38081 521.7979       45.95461 570.0000       59.54781 103.0354 4.567907 107.5787 5.675081 -4.543350      7.285076 
1 1 1 -12 14 13 o 179.3562 4.523296 1579.072       79.34708 1540.112       97.17801 1657.000       137.4386 176.9853 5.616617 183.2252 7.680356 -6.239944      9.514949 
1 1 1 -12 14 14 o 159.3361 4.220568 1246.009       65.76711 1224.428       81.25596 1287.000       111.9855 157.8259 5.267199 161.5287 7.100160 -3.702835      8.840569 
1 1 1 -12 14 15 o 275.5379 5.447643 3729.159       146.9252 3658.563       205.8600 3802.458       209.7622 272.3119 7.731056 277.6208 7.726657 -5.308868      10.93025 
1 1 1 -12 14 16 o 146.6720 3.546362 1054.533       50.91391 1004.791       71.29028 1106.315       72.73783 142.9596 5.102792 150.0352 4.959733 -7.075546      7.115999 
1 1 1 -12 14 17 o 73.03587 3.530153 262.1003       25.16216 251.4000       36.58105 271.7092       34.66551 71.34815 5.275334 74.24441 4.795755 -2.896255      7.129405 
1 1 1 -12 14 18 o 63.07273 3.778359 195.7774       23.21965 216.3000       33.25294 176.2492       32.43733 66.15731 5.176248 59.61857 5.624987 6.538742       7.644215 
1 1 1 -12 14 19 o 199.6719 4.256459 1956.450       83.19010 1874.665       115.5002 2044.617       119.9215 195.0956 6.055572 203.7628 6.019245 -8.667206      8.538223 
1 1 1 -12 14 20 o 96.24982 3.272647 454.6772       30.78741 432.2897       42.36412 479.7351       44.81950 93.71226 4.632805 98.73071 4.650836 -5.018448      6.564538 
1 1 1 -12 14 21 o 81.81696 3.276470 328.7200       26.18644 332.8749       35.53060 323.7796       38.74418 82.21944 4.431283 81.02850 4.907990 1.190941       6.612461 
1 1 1 -12 14 22 o 212.7273 6.424689 2233.456       133.6237 2400.000       199.5207 2098.000       179.9378 219.5246 9.306472 205.3496 8.973713 14.17499       12.92818 
1 1 1 -12 14 23 o 218.9749 5.295737 2359.837       113.5081 2337.000       199.4703 2370.773       138.0366 216.4151 9.439093 219.0977 6.443510 -2.682617      11.42870 
1 1 1 -12 14 24 o 197.8690 4.929982 1926.406       95.48369 1906.000       168.2753 1936.096       115.9592 195.4904 8.816737 198.0273 5.989262 -2.536896      10.65862 
1 1 1 -12 14 25 o 135.8100 4.085254 907.2308       54.24541 900.7000       100.7760 909.8950       64.36578 134.4696 7.688480 135.8711 4.847503 -1.401489      9.089060 
1 1 1 -12 14 26 o 135.3600 4.055438 901.6609       53.67155 880.8000       98.10841 910.5706       64.11674 132.8806 7.574271 135.8727 4.828630 -2.992096      8.982497 
1 1 1 -12 14 27 o 61.66219 3.737686 187.5882       22.45348 164.8931       25.43936 267.6000       47.76588 57.68102 4.542381 73.12003 6.749983 -15.43901      8.136062 
1 1 1 -12 14 28 o 188.9099 4.090143 1757.184       75.63093 1686.120       104.5959 1835.051       109.4883 184.4000 5.802142 192.3706 5.821340 -7.970642      8.219054 
1 1 1 -12 14 29 o 151.2586 3.591658 1125.735       53.17668 1175.959       76.79021 1079.459       73.71066 154.0986 5.097993 147.6299 5.108631 6.468628       7.217177 
1 1 1 -12 14 30 o 90.14652 3.171199 400.0786       27.93841 413.0588       38.68586 385.9290       40.39104 91.36637 4.338123 88.22509 4.694104 3.141281       6.391708 
1 1 1 -12 14 31 o 65.38930 3.375512 211.0539       21.53179 217.6297       28.49256 202.2986       32.87700 66.20432 4.422178 63.61029 5.329241 2.594021       6.925061 
1 1 1 -12 14 32 o 71.23624 3.807030 251.1814       26.44924 266.3202       31.67299 216.3000       48.07730 73.21170 4.440680 64.94132 7.713852 8.270378       8.900739 
1 1 1 -12 14 33 o 83.45048 3.757769 344.6759       30.61608 354.8618       36.98493 322.5000       54.57166 84.47745 4.488897 79.58897 7.078776 4.888474       8.382080 
1 1 1 -12 14 34 o 28.86049 6.212097 43.40127       17.02875 36.17025       20.99177 57.31748       29.12123 26.33840 7.675048 32.74966 8.868064 -6.411255      11.72813 
1 1 1 -12 14 35 o 61.97463 4.091488 191.2150       24.68113 217.4000       34.82743 164.7974       34.98184 65.67910 5.466888 56.80635 6.402690 8.872746       8.419105 
1 1 1 -12 14 36 o 67.25870 3.904487 224.9451       25.59455 234.2000       36.58338 216.0719       35.82098 68.10093 5.535834 65.35147 5.655449 2.749458       7.913885 
1 1 1 -12 14 37 o 53.74288 4.107947 144.2652       21.44609 137.2819       27.93431 154.2901       33.46924 51.97828 5.577614 54.85082 6.351073 -2.872543      8.452568 
1 1 1 -12 14 38 o 29.42684 6.703223 45.83564       18.87503 52.95731       24.19315 34.75812       30.17331 31.37820 7.886985 26.60344 9.349839 4.774759       12.23209 
1 1 1 -12 14 39 o 13.32138 6.092854 -10.80192      17.80357 -5.808455      22.48576 -19.19221      29.14708 16.09095 7.144988 16.64055 7.678396 -0.5495968     10.48850 
1 1 1 -12 14 40 o 34.59462 6.250470 62.90683       20.38667 47.43133       26.07161 87.25961       32.70543 29.46227 8.544202 39.85488 8.633745 -10.39262      12.14681 
1 1 1 -12 14 41 o 84.46052 3.950311 357.1039       32.56765 399.3000       49.46905 324.8254       43.26678 88.23566 5.759214 79.66007 5.584283 8.575584       8.022017 
1 1 1 -12 14 42 o 70.45541 4.363139 250.6883       29.94219 252.6203       35.36747 245.8000       56.25841 70.28982 5.176821 66.73161 8.829347 3.558212       10.23508 
1 1 1 -12 14 43 o 47.01609 5.668315 115.0065       25.56021 104.4993       30.22268 141.4000       47.90041 43.97387 7.275744 49.20781 10.27696 -5.233936      12.59176 
1 1 1 -12 14 44 o 22.59602 8.832630 21.46921       28.30499 -23.88000      58.70263 35.20642       32.30890 23.17247 10.76344 26.15136 9.613071 -2.978886      14.43131 
1 1 1 -12 14 45 o 25.77620 7.787470 36.73561       21.30095 42.42794       28.29670 29.29184       32.35843 27.52375 9.065001 24.81124 9.512521 2.712507       13.14010 
1 1 1 -12 14 46 o 49.76382 5.634949 129.6265       26.96551 118.9401       31.89625 156.4000       50.48652 46.71809 7.206564 51.06357 10.45314 -4.345482      12.69657 
1 1 1 -12 14 47 o 26.91452 7.742220 40.82610       21.48787 31.72902       29.55389 51.02852       31.29792 24.76736 9.178144 29.49986 9.521506 -4.732491      13.22488 
1 1 1 -12 14 48 o 24.25072 9.348243 28.81160       31.36864 0.000000       0.000000 28.81160       31.36864 ?        ?        24.25072 9.348243 ?              ?        
1 1 1 -12 14 49 o 24.75882 8.846747 33.70879       27.10931 119.4000       51.35666 0.6087943      31.91850 42.21807 11.91227 19.33466 8.552715 22.88341       14.66462 
1 1 1 -12 14 50 o 35.86091 8.292069 75.04861       28.52539 141.4000       55.92433 51.71503       33.16397 45.48168 12.27793 29.17555 9.819115 16.30613       15.72141 
1 1 1 -12 14 51 o 31.85946 8.618881 60.20475       27.52316 118.8000       56.53989 42.00751       31.50841 40.93908 12.74775 26.89314 9.545168 14.04595       15.92531 
1 1 1 -12 14 52 f 41.90726 6.908028 97.29382       27.35024 86.49044       35.44146 113.2000       43.00456 37.45353 9.618094 42.23772 10.45772 -4.784191      14.20815 
1 1 1 -12 14 53 o 24.49515 8.553283 33.81342       25.22505 46.77636       32.74421 14.89000       39.56242 27.87227 9.744191 22.74187 9.797875 5.130404       13.81838 
1 1 1 -12 14 54 o 15.90180 7.211721 -7.214424      24.28306 -26.67849      31.34536 22.00000       38.40211 15.83591 7.512959 23.55683 9.879733 -7.720923      12.41184 
1 1 1 -12 14 55 o 24.99109 8.678599 36.02086       25.95075 54.75011       34.52301 11.69000       39.34842 29.50896 10.01798 22.12691 9.650404 7.382048       13.91008 
1 1 1 -12 14 56 o 19.47986 8.114840 12.50568       25.64717 -10.69168      33.23061 46.68000       40.33379 17.91663 8.242403 27.61887 10.61230 -9.702238      13.43719 
1 1 1 -12 14 57 o 19.93931 8.089140 16.41861       24.62289 8.249000       49.14188 19.15721       28.45215 22.88431 10.33029 21.16095 8.653798 1.723364       13.47602 
1 1 1 -12 14 58 o 35.08713 6.978554 70.60583       23.12350 90.93024       35.38936 55.46410       30.54580 37.55944 9.593030 29.36798 9.399526 8.191463       13.43046 
1 1 1 -12 15 1  o 370.2901 7.078076 6743.602       256.5450 7030.498       374.5180 6489.975       352.1344 376.9754 10.15897 362.2669 9.939952 14.70856       14.21293 
1 1 1 -12 15 2  o 348.3291 6.692552 5964.451       228.1853 5952.353       323.2917 5976.462       322.1170 347.0665 9.525472 347.7882 9.471028 -0.7216797     13.43261 
1 1 1 -12 15 3  o 35.11362 5.813673 62.14214       19.28311 2.448000       32.62914 94.18000       23.90405 21.54072 9.074878 43.41931 5.766951 -21.87859      10.75226 
1 1 1 -12 15 4  o 104.5055 4.698584 536.7717       47.94027 536.7717       47.94027 0.000000       0.000000 104.5055 4.698584 ?        ?        ?              ?        
1 1 1 -12 15 5  o 121.0472 3.758739 718.8325       44.48121 634.8000       81.15788 754.9141       53.18021 113.3419 7.355048 123.9980 4.388484 -10.65601      8.564784 
1 1 1 -12 15 6  o 67.16100 3.520690 221.6432       23.06385 235.4000       41.72488 215.5906       27.67639 68.93417 6.251697 66.16897 4.296386 2.765198       7.585687 
1 1 1 -12 15 7  o 210.0397 4.367935 2163.470       89.80154 2156.059       128.2928 2170.590       125.7427 209.3650 6.267311 210.0941 6.121051 -0.7290955     8.760506 
1 1 1 -12 15 8  o 13.80739 5.806475 1.046739       13.32029 2.158465       22.34918 0.4342554      16.58860 17.94356 7.532000 15.20108 6.440559 2.742477       9.910188 
1 1 1 -12 15 9  o 71.80017 3.121618 253.0537       21.88630 269.3004       33.77325 241.2911       28.73692 73.94135 4.690548 70.02084 4.212302 3.920517       6.304342 
1 1 1 -12 15 10 o 105.7092 3.161981 547.9978       32.68060 530.3836       47.66606 563.6223       44.89317 103.8665 4.700612 107.1173 4.290361 -3.250793      6.364193 
1 1 1 -12 15 11 o 145.0375 4.013898 1032.235       56.92921 1028.813       71.86427 1038.000       93.28201 144.6822 5.082374 145.1216 6.584036 -0.4393921     8.317454 
1 1 1 -12 15 12 o 79.94340 3.569945 313.8772       27.86464 326.4863       37.02168 297.4000       42.32096 81.43832 4.663810 77.60775 5.608986 3.830574       7.294645 
1 1 1 -12 15 13 o 89.64545 3.176966 394.2863       27.83299 359.3828       39.48075 428.7724       39.24390 85.44444 4.739145 93.39557 4.304365 -7.951126      6.402113 
1 1 1 -12 15 14 o 67.98912 3.402855 227.1271       22.57389 220.2154       32.01847 233.9580       31.83097 66.79654 4.931898 68.88026 4.750252 -2.083717      6.847519 
1 1 1 -12 15 15 o 256.7884 5.900426 3241.763       148.3081 3434.000       265.4636 3154.538       178.8167 262.8799 10.33686 252.9245 7.230311 9.955399       12.61460 
1 1 1 -12 15 16 o 196.7840 4.788169 1901.112       92.22859 2056.000       165.1403 1830.902       111.1839 203.8471 8.293731 192.8728 5.896241 10.97435       10.17603 
1 1 1 -12 15 17 o 87.33903 3.236254 374.4011       27.61885 352.2019       38.58454 397.7267       39.55130 84.57088 4.679317 89.90473 4.508793 -5.333855      6.498094 
1 1 1 -12 15 18 o 166.0320 3.785201 1352.101       61.51583 1319.665       86.87910 1384.713       87.11443 163.7511 5.427822 167.7620 5.311752 -4.010971      7.594469 
1 1 1 -12 15 19 o 68.53876 3.501801 230.9520       23.41489 245.5212       32.03398 214.2385       34.31040 70.55349 4.664769 65.79491 5.374328 4.758583       7.116423 
1 1 1 -12 15 20 o 81.90230 4.177692 330.1242       33.38118 347.2000       43.36813 305.3000       52.29000 83.85988 5.310639 78.37041 6.886435 5.489464       8.696314 
1 1 1 -12 15 21 o 77.24235 3.197839 293.0580       24.12560 332.3410       34.21486 254.2133       34.02343 82.15578 4.269362 71.74922 4.873489 10.40656       6.479070 
1 1 1 -12 15 22 o 158.9653 5.429351 1245.548       84.35649 1276.000       123.6054 1219.000       115.4118 160.2707 7.903488 156.7449 7.544449 3.525772       10.92629 
1 1 1 -12 15 23 o 115.4725 3.229780 654.6062       36.46959 639.4200       51.01756 670.4756       52.15275 113.9446 4.583603 116.6845 4.575099 -2.739883      6.476182 
1 1 1 -12 15 24 o 131.2074 3.373539 845.4963       43.29023 847.0486       61.25090 843.9470       61.19242 131.0977 4.781227 130.8563 4.785518 0.2413788      6.764710 
1 1 1 -12 15 25 f 97.49749 3.908888 467.9728       37.22817 390.7000       70.43051 497.9336       43.85545 88.13931 8.259896 100.4858 4.469934 -12.34648      9.391815 
1 1 1 -12 15 26 o 165.1481 4.426375 1344.070       71.48852 1314.000       127.6967 1357.796       86.27554 161.9963 8.078687 165.7356 5.325124 -3.739258      9.675853 
1 1 1 -12 15 27 o 169.6372 3.829294 1415.852       63.58373 1371.157       88.74194 1463.003       91.14828 166.4000 5.455780 171.9000 5.423882 -5.500000      7.693116 
1 1 1 -12 15 28 o 91.95829 3.982370 417.3330       35.76086 267.1000       67.31925 476.3928       42.20874 71.87783 9.825290 98.17288 4.403637 -26.29505      10.76700 
1 1 1 -12 15 29 o 92.63828 3.173588 422.4550       28.73462 470.3557       41.02189 376.3113       40.26252 97.52252 4.308019 87.10998 4.739867 10.41254       6.405105 
1 1 1 -12 15 30 o 39.66492 4.426173 78.70804       16.89215 85.46228       21.11497 66.69979       28.15411 41.15228 5.369887 35.62434 8.238321 5.527943       9.833902 
1 1 1 -12 15 31 o 89.34155 3.680202 394.3629       32.11446 425.9405       39.81898 335.6000       54.31911 92.67013 4.402382 81.43296 6.878972 11.23717       8.167081 
1 1 1 -12 15 32 o 60.88297 6.175311 187.6733       36.29261 213.1000       64.51205 175.9000       43.89797 62.90309 10.87068 58.31506 7.893006 4.588024       13.43396 
1 1 1 -12 15 33 o 44.16897 4.280667 97.57806       18.27521 102.2769       23.03240 89.59188       30.02695 44.97026 5.336391 41.33870 7.704127 3.631565       9.371800 
1 1 1 -12 15 34 o 58.32950 4.095740 169.4493       23.23580 206.8000       32.14435 128.5747       33.62650 64.15737 5.162147 49.86708 7.088518 14.29029       8.768970 
1 1 1 -12 15 35 f 36.57166 5.341254 68.29359       18.55626 62.54000       23.38085 78.08535       30.50152 34.44355 7.168521 38.18456 8.390266 -3.741009      11.03559 
1 1 1 -12 15 36 o 50.99137 4.096000 129.9021       20.27202 151.2103       25.97685 96.71296       32.41990 54.81205 4.893173 42.66576 8.058202 12.14629       9.427501 
1 1 1 -12 15 37 o 30.09517 6.328052 47.58860       18.04881 45.20172       22.28082 52.14433       30.78184 29.05909 7.707858 31.06347 9.356366 -2.004372      12.12240 
1 1 1 -12 15 38 o 34.13052 5.921594 60.54701       19.06585 78.92419       24.22134 30.61325       30.91288 38.83569 6.608244 25.68629 9.409540 13.14940       11.49819 
1 1 1 -12 15 39 o 45.88655 4.853733 106.9091       21.47049 100.2351       27.47910 117.3694       34.40192 43.75071 6.623702 46.87704 7.769399 -3.126331      10.20965 
1 1 1 -12 15 40 o 38.59337 5.767631 77.44448       21.12057 97.46415       27.21894 47.15076       33.48259 42.98529 6.686426 29.46170 9.865680 13.52359       11.91805 
1 1 1 -12 15 41 o 15.84079 6.810730 0.8640664      19.04172 7.443686       23.69264 -11.13913      32.00085 18.73187 7.801075 18.32508 8.297982 0.4067879      11.38917 
1 1 1 -12 15 42 o 48.08693 6.012123 120.9698       27.68171 126.7000       33.94800 109.6000       47.81968 48.47173 7.388434 42.51963 11.29837 5.952095       13.49971 
1 1 1 -12 15 43 o 41.76027 6.121131 92.14999       24.27823 80.81400       27.96908 126.8000       48.89904 38.25020 7.736424 45.75515 11.04499 -7.504948      13.48496 
1 1 1 -12 15 44 o 32.58171 6.743027 57.73106       20.79552 51.47611       26.81941 67.16174       32.93132 30.03621 8.652436 33.84309 9.535396 -3.806877      12.87589 
1 1 1 -12 15 45 o 103.3979 4.949962 547.3998       49.95244 547.3998       49.95244 0.000000       0.000000 103.3979 4.949962 ?        ?        ?              ?        
1 1 1 -12 15 46 o 22.44469 7.630708 26.57304       20.03065 28.08629       27.04622 24.73467       29.81030 23.67334 8.778753 23.32670 9.079865 0.3466434      12.62974 
1 1 1 -12 15 47 o 20.62383 7.897652 18.95710       22.28661 -0.5946000     34.66991 32.72579       29.09423 20.01810 8.881340 24.90420 9.127660 -4.886091      12.73548 
1 1 1 -12 15 48 o 42.37265 5.569011 94.95432       22.53919 87.05415       31.86856 102.8611       31.88190 38.62489 8.645272 42.60548 7.936867 -3.980591      11.73604 
1 1 1 -12 15 49 o 23.57366 8.017989 30.61828       22.11577 -9.065714      31.65805 68.44480       30.90827 17.96600 8.181686 33.71555 9.138862 -15.74955      12.26616 
1 1 1 -12 15 50 o 34.58698 6.934544 66.73254       22.65868 37.80706       33.34527 91.54627       30.88446 26.02577 9.728766 39.75960 8.207948 -13.73383      12.72868 
1 1 1 -12 15 51 o 17.49625 7.668512 1.209202       25.11564 -98.27000      50.91216 33.20459       28.87348 16.29107 8.107234 24.61219 9.080658 -8.321123      12.17315 
1 1 1 -12 15 52 o 41.10604 7.048351 94.31844       27.33927 65.94000       53.10253 104.5532       31.89046 31.49265 12.15686 42.65661 7.929599 -11.16395      14.51440 
1 1 1 -12 15 53 o 49.73644 5.758365 132.1693       27.51637 180.9000       51.90963 113.1256       32.45061 53.94812 10.20395 44.55043 7.721228 9.397690       12.79601 
1 1 1 -12 15 54 o 20.92866 8.254210 19.75946       24.90925 21.26000       46.75756 19.16485       29.43367 24.47826 10.59905 21.58366 8.811264 2.894592       13.78326 
1 1 1 -12 15 55 f 24.03728 8.811070 32.09585       27.11236 41.08255       35.67587 19.81000       41.71354 26.51258 10.03022 23.56948 10.10615 2.943098       14.23866 
1 1 1 -12 15 56 o 48.12090 6.478415 127.8582       29.74020 104.0715       39.41596 159.3000       45.31668 40.18524 10.04808 50.78545 9.464291 -10.60021      13.80350 
1 1 1 -12 15 57 o 17.79000 7.822181 2.995850       26.32200 -16.36378      35.19168 27.58000       39.65692 17.60199 8.228406 23.94891 10.04173 -6.346918      12.98241 
1 1 1 -12 16 1  o 94.08952 3.124326 434.2025       28.73433 394.6204       43.51696 464.8011       38.26141 89.53752 4.985000 97.28522 4.026685 -7.747704      6.408152 
1 1 1 -12 16 2  o 203.6061 4.270044 2032.887       85.09995 2062.331       123.2839 2006.089       117.6151 204.7664 6.157937 201.9851 5.955417 2.781311       8.566631 
1 1 1 -12 16 3  o 193.7138 5.912397 1845.220       111.9752 1797.000       158.7215 1893.000       157.9946 190.6779 8.525675 195.7719 8.263493 -5.093918      11.87318 
1 1 1 -12 16 4  o 168.5033 5.343876 1395.374       88.02816 1374.000       129.0005 1414.000       120.4229 166.7934 7.924101 169.3273 7.282700 -2.533859      10.76239 
1 1 1 -12 16 5  o 29.21102 6.915625 43.66628       19.46528 54.40000       50.12340 41.76000       21.12317 34.78903 12.06241 28.59948 7.466609 6.189547       14.18633 
1 1 1 -12 16 6  o 126.4387 3.313196 783.9177       40.96935 694.4637       57.65088 875.1852       58.23233 118.8526 4.966487 133.5009 4.462564 -14.64838      6.676861 
1 1 1 -12 16 7  o 151.5043 4.028051 1126.255       59.68162 1221.000       108.6855 1085.353       71.41151 157.3436 7.075038 148.6321 4.915268 8.711548       8.614872 
1 1 1 -12 16 8  o 106.2412 3.142939 553.5299       32.64808 518.7748       47.63999 584.3069       44.83068 102.7118 4.751420 109.0722 4.206977 -6.360413      6.346231 
1 1 1 -12 16 9  o 57.96846 3.350643 165.2265       18.93091 162.2169       29.46757 167.3416       24.70293 57.23146 5.321168 58.24616 4.364604 -1.014702      6.882194 
1 1 1 -12 16 10 o 111.5705 3.656598 610.8617       39.87914 573.4865       50.57484 672.3000       64.84280 107.9926 4.796443 116.8384 5.686910 -8.845810      7.439544 
1 1 1 -12 16 11 o 363.7650 8.079217 6528.608       287.6712 6876.317       366.1723 5968.000       464.9508 372.3759 10.05531 344.8944 13.80042 27.48148       17.07515 
1 1 1 -12 16 12 o 171.7984 3.848981 1447.213       64.72488 1375.408       90.61834 1521.999       92.47964 167.2225 5.543907 175.9429 5.376232 -8.720413      7.722614 
1 1 1 -12 16 13 o 85.06269 3.199106 355.0946       26.58884 333.8069       38.75124 374.0323       36.54985 82.32130 4.830363 87.21149 4.294805 -4.890198      6.463572 
1 1 1 -12 16 14 o 78.00803 3.547404 298.9434       27.01581 333.6000       45.27470 279.7802       33.66633 82.18984 5.662306 75.36264 4.585575 6.827202       7.286234 
1 1 1 -12 16 15 o 78.74529 3.560095 304.6398       27.36955 333.9000       45.33300 287.8567       34.33305 82.21859 5.667658 76.43923 4.610130 5.779358       7.305864 
1 1 1 -12 16 16 o 182.3734 4.002421 1631.692       71.44809 1580.136       100.6676 1684.025       101.4223 179.1511 5.748128 184.9786 5.607998 -5.827423      8.030605 
1 1 1 -12 16 17 o 227.2686 4.684174 2536.623       104.2026 2503.048       147.7694 2569.833       146.9635 225.2537 6.709509 228.2748 6.584141 -3.021118      9.400449 
1 1 1 -12 16 18 o 177.0792 3.937967 1538.567       68.25677 1500.969       96.21978 1576.653       96.84255 174.5799 5.638114 178.9516 5.535376 -4.371658      7.901184 
1 1 1 -12 16 19 o 100.1573 3.231290 492.3775       31.63704 455.7084       45.18199 527.6508       44.31371 96.17753 4.814694 103.5641 4.381320 -7.386551      6.509781 
1 1 1 -12 16 20 o 108.0827 3.207189 573.3563       33.89271 580.4784       48.80165 566.7203       47.10635 108.5901 4.601757 107.3076 4.494748 1.282478       6.432646 
1 1 1 -12 16 21 o 181.5252 3.976095 1618.002       70.64799 1608.077       99.98630 1627.898       99.83656 180.5756 5.663861 181.6967 5.620291 -1.121109      7.979160 
1 1 1 -12 16 22 o 139.8265 3.466572 959.5142       47.44561 1000.379       68.98820 922.8399       65.35552 142.4844 4.954072 136.8570 4.886598 5.627411       6.958568 
1 1 1 -12 16 23 o 207.2281 4.369772 2112.007       88.63671 2234.854       130.2603 2006.078       120.9584 212.5332 6.268357 201.3951 6.143120 11.13808       8.776687 
1 1 1 -12 16 24 o 201.6422 4.998470 2004.228       98.65628 1953.000       172.4058 2029.170       120.2992 197.3143 8.949922 202.4601 6.077275 -5.145721      10.81824 
1 1 1 -12 16 25 f 139.6785 3.468410 958.5494       47.42049 942.7982       67.06655 974.2969       67.05885 138.1591 4.967382 140.4721 4.884512 -2.312927      6.966588 
1 1 1 -12 16 26 o 117.7269 3.953132 682.9330       45.48903 576.4000       83.48373 727.9189       54.24979 106.9919 8.030179 121.4093 4.573167 -14.41736      9.241084 
1 1 1 -12 16 27 o 104.7321 3.911867 540.9655       40.03189 471.1000       75.61834 568.1701       47.18648 96.50655 8.079128 107.2040 4.506820 -10.69746      9.251148 
1 1 1 -12 16 28 o 104.2429 5.095586 539.4558       51.83571 488.2000       77.47255 581.0000       69.74796 98.07462 8.143610 107.6655 6.650802 -9.590866      10.51435 
1 1 1 -12 16 29 o 142.8679 3.532476 1005.358       49.39922 1012.370       70.33866 998.5335       69.39302 142.8098 5.039775 141.8427 5.005921 0.9671326      7.103420 
1 1 1 -12 16 30 o 86.89504 3.718835 373.1526       31.55750 326.5727       37.25371 491.5000       59.38131 81.03705 4.716948 98.95741 6.161054 -17.92036      7.759393 
1 1 1 -12 16 31 f 47.30462 4.562782 111.9789       20.86522 119.7017       24.78128 93.17000       38.67398 48.74824 5.277547 41.62279 9.676562 7.125446       11.02218 
1 1 1 -12 16 32 o 69.96442 3.455555 242.1382       23.59150 299.9119       33.09784 182.4722       33.63549 77.64691 4.372476 60.10357 5.788826 17.54334       7.254589 
1 1 1 -12 16 33 o 70.78772 3.780244 248.5772       26.09794 301.2000       38.33547 203.1223       35.62907 77.53857 5.078953 63.37305 5.808252 14.16551       7.715670 
1 1 1 -12 16 34 o 67.26017 3.633653 224.4147       23.83374 238.6613       31.72560 205.9579       36.11052 69.05572 4.721992 63.74368 5.852764 5.312035       7.520110 
1 1 1 -12 16 35 o 41.64751 4.742234 87.58284       18.98810 112.0592       23.78395 44.56150       31.53207 47.02086 5.257463 29.26283 9.565468 17.75803       10.91509 
1 1 1 -12 16 36 o 15.77529 6.466046 5.086782       15.93010 11.11680       18.84694 -9.998403      29.80964 18.35196 7.197445 18.11540 8.122586 0.2365589      10.85263 
1 1 1 -12 16 37 o 20.33918 7.145650 19.29617       17.62263 48.45697       21.63011 -38.27426      30.39196 30.08442 7.397790 15.10747 7.231108 14.97695       10.34486 
1 1 1 -12 16 38 o 23.13216 7.179472 27.84515       17.95002 32.04705       21.73976 18.84420       31.81820 24.79771 7.928979 23.28747 9.282495 1.510235       12.20792 
1 1 1 -12 16 39 o 81.77175 3.617203 333.2104       28.88060 355.6099       38.82065 305.4475       43.21918 83.94770 4.743714 77.23083 5.758599 6.716866       7.460851 
1 1 1 -12 16 40 o 50.92260 4.494107 131.4090       22.17097 156.6536       28.71532 94.14664       34.88710 55.24132 5.378626 40.99140 8.946723 14.24992       10.43904 
1 1 1 -12 16 41 o 25.53463 7.814398 35.47302       21.35549 27.40688       24.15190 64.38000       45.72140 23.43167 8.352717 33.17014 11.51949 -9.738466      14.22907 
1 1 1 -12 16 42 o 51.51123 4.462779 134.9477       22.27983 128.7817       29.00723 143.8186       34.79292 49.51349 6.114974 51.81011 7.042910 -2.296619      9.327137 
1 1 1 -12 16 43 o 84.62484 3.615069 358.8985       29.87576 349.1066       40.63299 370.4215       44.07842 82.54622 5.053141 84.82058 5.336112 -2.274361      7.349035 
1 1 1 -12 16 44 o 14.53920 6.602190 -8.818763      20.43135 -30.88155      23.47786 60.03000       41.47404 13.00914 6.260243 31.77089 10.97458 -18.76174      12.63455 
1 1 1 -12 16 45 o 38.22987 5.715159 77.28062       20.73098 91.20712       27.88517 60.07222       30.99720 40.73421 7.259968 31.93032 9.332690 8.803900       11.82397 
1 1 1 -12 16 46 o 40.43644 6.025660 87.23190       23.12256 73.77000       34.65182 98.03732       31.04514 34.96845 9.755896 41.77118 7.881855 -6.802734      12.54198 
1 1 1 -12 16 47 o 29.77504 7.221590 49.78090       20.82823 27.95921       28.54836 74.61495       30.45515 23.66239 8.967815 35.64997 8.785189 -11.98758      12.55393 
1 1 1 -12 16 48 o 16.71460 7.184238 3.194969       21.17533 6.312381       30.80504 0.4024127      29.15584 19.88339 8.606268 18.56854 8.195788 1.314844       11.88439 
1 1 1 -12 16 49 o 60.23216 5.209199 189.9261       30.41025 235.9000       63.51818 176.2544       34.63805 60.99372 11.04571 57.17518 6.293223 3.818542       12.71269 
1 1 1 -12 16 50 o 49.33154 5.006134 127.0860       23.83878 110.3590       35.47339 140.8609       32.19133 43.38343 8.657123 50.81915 6.629394 -7.435715      10.90388 
1 1 1 -12 16 51 o 46.42077 5.340524 113.8297       23.82462 128.7974       35.88146 102.0277       31.86178 47.39537 8.020202 42.07722 8.028850 5.318146       11.34839 
1 1 1 -12 16 52 o 25.34578 7.918954 37.04871       21.79879 62.23217       32.34982 16.10284       29.50281 31.63531 9.605255 21.10576 8.740114 10.52955       12.98655 
1 1 1 -12 16 53 o 43.33034 5.619099 100.3151       23.27153 108.3574       33.77584 93.04692       32.10921 43.06271 8.314151 39.65583 8.525785 3.406879       11.90857 
1 1 1 -12 16 54 o 19.90454 8.214296 14.04728       25.93773 14.94781       33.35637 12.67000       41.25177 21.50835 9.123745 22.53492 9.853618 -1.026569      13.42894 
1 1 1 -12 16 55 o 42.43495 6.497139 99.59244       26.12919 79.39000       51.00127 106.7823       30.42552 33.19788 12.09792 43.21070 7.463262 -10.01283      14.21478 
1 1 1 -12 16 56 o 24.72801 8.512265 36.20992       24.94349 26.00000       47.12744 40.18309       29.39892 24.64161 10.65533 25.76984 9.212227 -1.128231      14.08550 
1 1 1 -12 16 57 o 25.85477 8.482317 40.75399       24.78527 51.36000       46.01606 36.41956       29.41706 27.96316 11.15745 24.74208 9.159057 3.221081       14.43527 
1 1 1 -12 17 1  o 270.5929 6.220896 3599.815       164.7690 3670.379       205.2735 3472.000       276.2683 272.7989 7.695172 264.3694 10.69822 8.429535       13.17830 
1 1 1 -12 17 2  o 156.0381 4.186494 1194.933       63.88440 1009.000       108.2150 1294.396       79.14815 142.8712 7.767354 162.3145 4.987614 -19.44328      9.230823 
1 1 1 -12 17 3  o 173.3724 3.852602 1473.662       65.37930 1352.162       90.54701 1606.003       94.50022 165.8184 5.586706 180.7650 5.346750 -14.94658      7.732983 
1 1 1 -12 17 4  o 79.82827 3.203955 312.7636       24.98424 295.4634       39.52323 324.2780       32.24381 77.39592 5.248127 81.21803 4.068863 -3.822105      6.640669 
1 1 1 -12 17 5  o 63.44841 3.371203 197.8466       20.86172 158.7066       34.00195 221.4749       26.41862 56.47269 6.255991 67.08369 4.042094 -10.61100      7.448218 
1 1 1 -12 17 6  o 74.94896 3.480449 275.9165       25.46359 284.5000       48.00707 272.5563       30.03706 75.76991 6.536805 74.43418 4.138970 1.335724       7.736982 
1 1 1 -12 17 7  o 49.07475 4.314716 119.0438       20.51525 59.96025       30.42569 168.3000       27.78034 34.21341 8.975268 58.35027 4.909435 -24.13685      10.23025 
1 1 1 -12 17 8  o 122.1604 3.692574 732.2723       44.10290 820.7000       81.27115 695.3624       52.50657 129.0000 6.456889 118.9606 4.517459 10.03944       7.880283 
1 1 1 -12 17 9  o 190.5606 4.730820 1782.297       88.24207 1733.650       108.3733 1878.000       152.0038 187.7013 5.905946 194.9389 7.983063 -7.237595      9.930231 
1 1 1 -12 17 10 o 51.48190 4.147107 130.8403       20.72137 89.62390       29.88552 169.0000       28.75599 42.01313 7.544499 58.44762 5.076687 -16.43449      9.093527 
1 1 1 -12 17 11 o 89.05361 3.143289 389.1256       27.35649 340.4885       39.68239 433.1753       37.76466 83.13326 4.898304 93.88325 4.119551 -10.74998      6.400319 
1 1 1 -12 17 12 o 234.5315 4.780886 2700.518       109.7528 2648.101       154.9275 2753.325       155.5020 231.7647 6.836752 236.3552 6.728322 -4.590500      9.592262 
1 1 1 -12 17 13 o 233.4023 5.455166 2677.547       124.6291 2772.000       220.6708 2633.309       151.0206 236.2592 9.561985 231.1258 6.682480 5.133453       11.66564 
1 1 1 -12 17 14 o 181.9772 4.529993 1625.716       80.69017 1826.000       148.9026 1542.450       96.00903 192.0934 7.936333 177.0345 5.547333 15.05893       9.682887 
1 1 1 -12 17 15 f 78.01689 3.295307 298.9279       25.10797 268.9312       36.65619 325.4401       34.46141 73.80221 5.105720 81.30893 4.345793 -7.506721      6.704796 
1 1 1 -12 17 16 o 60.18169 3.561571 178.2415       20.88651 196.8602       30.47485 161.7484       28.68252 63.10178 4.974133 57.13199 5.185412 5.969791       7.185437 
1 1 1 -12 17 17 o 122.3993 3.327581 735.1686       39.83003 688.5919       56.32611 781.7522       56.33023 118.2728 4.875857 126.0747 4.572222 -7.801872      6.684249 
1 1 1 -12 17 18 o 161.9130 3.737831 1286.402       59.23899 1244.507       84.19482 1327.475       83.36452 158.9350 5.419953 164.1972 5.193449 -5.262192      7.506518 
1 1 1 -12 17 19 o 41.66487 5.348065 86.82307       21.30851 64.85096       24.20141 162.6000       44.94417 35.59346 7.194201 56.66477 8.353433 -21.07131      11.02435 
1 1 1 -12 17 20 o 42.34760 4.269218 88.99809       17.45502 87.22731       23.89269 91.02495       25.56204 41.63073 6.039462 42.48822 6.340135 -0.8574944     8.756278 
1 1 1 -12 17 21 o 96.45223 4.106580 457.9532       38.68155 433.8000       52.47312 486.7000       57.24589 93.60525 5.754864 99.13515 5.926490 -5.529900      8.260857 
1 1 1 -12 17 22 o 91.08463 3.174596 407.6212       28.26020 371.4519       39.38673 445.9992       40.57152 86.74552 4.655762 95.12058 4.369201 -8.375061      6.384829 
1 1 1 -12 17 23 o 157.0329 4.310465 1214.401       66.19269 1191.000       118.9652 1224.895       79.66270 154.3867 7.898589 157.4954 5.174531 -3.108704      9.442641 
1 1 1 -12 17 24 o 208.6245 4.389355 2143.738       89.63387 2008.006       122.5080 2300.106       131.4911 201.1733 6.228901 215.3135 6.245653 -14.14021      8.820850 
1 1 1 -12 17 25 o 109.7604 3.885611 593.6581       41.67978 488.1000       77.46691 636.6646       49.44669 98.35600 8.118781 113.5508 4.457438 -15.19479      9.261930 
1 1 1 -12 17 26 o 37.96716 4.661504 72.22975       16.96056 62.23646       22.74595 84.74370       25.45347 34.72583 6.934751 40.74812 6.607776 -6.022289      9.578803 
1 1 1 -12 17 27 o 76.69811 3.285905 289.8818       24.61151 276.2429       34.68101 303.7190       34.93222 74.58349 4.775631 78.26287 4.580009 -3.679382      6.616882 
1 1 1 -12 17 28 o 149.7267 3.608400 1104.566       52.88348 1025.636       72.75245 1192.995       77.00572 143.6788 5.181559 155.0155 5.081935 -11.33667      7.257728 
1 1 1 -12 17 29 o 83.74860 3.758389 346.7489       30.73106 313.8221       36.83113 422.2000       55.75366 79.42060 4.759625 91.65065 6.252306 -12.23005      7.857821 
1 1 1 -12 17 30 o 64.38934 3.737227 205.4191       23.45304 236.1338       32.24454 170.9169       34.17479 68.78304 4.819766 58.10238 6.099900 10.68065       7.774248 
1 1 1 -12 17 31 o 56.72329 3.778950 159.7195       20.86195 172.3975       28.08602 144.1151       31.15924 58.65787 4.937470 53.26317 6.085689 5.394699       7.836723 
1 1 1 -12 17 32 o 94.47971 3.605870 441.7711       33.28564 489.6000       52.76078 410.1490       42.90040 98.76688 5.478969 90.62082 4.854168 8.146065       7.319976 
1 1 1 -12 17 33 o 102.1221 3.362576 515.6337       33.56647 505.5551       46.77621 526.3333       48.19594 100.6065 4.763522 102.6369 4.810729 -2.030434      6.770101 
1 1 1 -12 17 34 o 80.52267 3.450734 321.1636       27.13486 341.2875       37.43018 298.8725       39.39408 82.61626 4.647341 77.06612 5.253708 5.550140       7.014216 
1 1 1 -12 17 35 o 44.14279 4.616384 98.23264       19.65198 114.1233       25.18792 73.50977       31.41743 47.32798 5.541937 36.77235 8.838413 10.55564       10.43219 
1 1 1 -12 17 36 o 49.98017 4.339684 125.4257       21.02037 158.7253       27.53097 78.87797       32.54996 56.02354 5.075486 37.98944 8.908793 18.03410       10.25315 
1 1 1 -12 17 37 o 44.61266 4.651403 100.7009       20.01380 90.02256       25.06705 119.4767       33.23928 41.56695 6.363135 47.55666 7.379626 -5.989716      9.744146 
1 1 1 -12 17 38 o 54.61201 4.233556 149.9879       22.45418 168.1007       29.18875 123.7301       35.14409 57.43347 5.250116 48.08577 7.728535 9.347702       9.343124 
1 1 1 -12 17 39 f 30.36685 6.710712 49.53053       19.41504 44.76250       24.20831 58.12587       32.50327 28.53570 8.220542 32.07216 9.604057 -3.536455      12.64180 
1 1 1 -12 17 40 o 32.44228 7.431497 57.70866       23.09092 48.12741       26.40625 88.84000       47.59863 29.32740 8.625403 38.16308 11.66400 -8.835678      14.50677 
1 1 1 -12 17 41 f 25.44883 7.388484 35.39396       19.48573 28.61949       24.97117 45.94166       31.15876 23.80451 8.492380 28.67376 9.515161 -4.869251      12.75378 
1 1 1 -12 17 42 o 30.35234 6.917194 50.38434       20.09158 47.28496       25.64839 55.30680       32.32316 28.93209 8.498468 30.90434 9.640984 -1.972256      12.85195 
1 1 1 -12 17 43 o 55.03997 4.991849 155.8558       26.60124 175.0453       31.96166 112.6000       47.98665 57.93120 5.710694 42.58176 11.31955 15.34944       12.67849 
1 1 1 -12 17 44 f 21.44468 7.533062 23.31816       19.58487 35.49316       26.70256 9.143669       28.81193 25.52995 8.806520 20.17294 8.514647 5.357008       12.24965 
1 1 1 -12 17 45 o 22.96565 8.392736 26.67752       24.57049 23.84000       32.71331 30.35000       37.21647 23.56103 9.405303 25.40871 10.06788 -1.847681      13.77759 
1 1 1 -12 17 46 o 23.15687 7.682016 29.10741       20.30987 28.30773       28.16568 29.97361       29.31368 23.74585 8.927794 24.26105 9.110803 -0.5152016     12.75587 
1 1 1 -12 17 47 o 20.04703 7.610428 18.46354       20.58097 39.84661       28.95234 -3.379233      29.26189 26.39517 9.166741 18.08291 8.082232 8.312262       12.22095 
1 1 1 -12 17 48 o 15.68219 6.877901 -0.5100719     20.23339 -11.69783      29.29786 9.691300       27.97652 16.93570 7.772068 19.73890 8.363649 -2.803205      11.41734 
1 1 1 -12 17 49 o 43.72983 5.381473 101.0989       22.54959 125.3814       33.26644 80.45729       30.67127 47.29328 7.431008 36.86051 8.650473 10.43277       11.40397 
1 1 1 -12 17 50 o 20.29147 7.716054 19.47748       21.17780 42.08923       31.19916 0.1565109      28.83967 26.75365 9.497955 18.34039 8.120504 8.413263       12.49615 
1 1 1 -12 17 51 o 18.85287 7.539130 13.83834       21.05684 23.87294       31.23733 5.481064       28.50731 22.83533 9.165156 19.05012 8.262219 3.785212       12.33954 
1 1 1 -12 17 52 o 34.66723 6.749065 67.03972       22.07766 51.25829       32.37811 80.75336       30.18246 28.84826 9.702040 36.86164 8.533756 -8.013390      12.92109 
1 1 1 -12 17 53 o 28.57532 8.533578 49.06338       25.68811 62.22235       32.46503 27.03000       42.00929 31.43697 9.637627 24.63245 10.33225 6.804520       14.12937 
1 1 1 -12 17 54 o 42.27823 5.618869 95.88521       22.67746 152.2466       35.89090 58.43179       29.25764 52.03152 7.243215 30.77765 9.086364 21.25388       11.62008 
1 1 1 -12 17 55 f 17.84515 7.601702 7.234690       23.32370 10.06000       43.27206 6.077760       27.69032 22.28683 9.903092 18.73142 8.133354 3.555405       12.81494 
1 1 1 -12 17 56 f 35.83658 6.694407 72.77583       22.61923 66.10419       34.12339 78.00491       30.20981 31.58478 9.913603 35.45018 8.757901 -3.865406      13.22801 
1 1 1 -12 18 1  o 92.53712 4.546477 421.1944       41.05496 316.2000       65.42287 489.4000       52.72984 79.56962 8.533071 99.66682 5.425508 -20.09720      10.11185 
1 1 1 -12 18 2  o 66.66078 4.514802 219.0335       29.28501 131.0000       48.98420 268.0000       36.53270 50.51562 10.25721 73.70390 5.095261 -23.18827      11.45304 
1 1 1 -12 18 3  o 114.0852 3.284924 638.3979       36.64448 541.8941       53.40508 724.2579       50.37391 104.9146 5.216808 121.4357 4.244448 -16.52112      6.725357 
1 1 1 -12 18 4  o 165.6635 3.781449 1345.634       61.31848 1230.422       85.74834 1466.206       87.72012 158.1499 5.547839 172.7086 5.194850 -14.55872      7.600328 
1 1 1 -12 18 5  o 194.1980 4.164725 1849.868       79.16576 1783.068       112.0257 1916.505       111.8890 190.3333 6.020650 197.3735 5.797800 -7.040176      8.358392 
1 1 1 -12 18 6  o 282.6256 5.574161 3925.198       154.2046 3816.964       215.9568 4037.793       220.2635 278.0116 7.944074 285.9685 7.876474 -7.956879      11.18692 
1 1 1 -12 18 7  o 129.7716 4.541342 827.4609       57.59703 822.7000       85.59747 831.4000       77.86020 129.0826 6.798623 129.8694 6.142354 -0.7868500     9.162411 
1 1 1 -12 18 8  o 204.3141 4.990358 2049.930       99.80132 1970.979       121.5837 2213.000       174.7369 200.0602 6.216356 211.4547 8.459377 -11.39444      10.49782 
1 1 1 -12 18 9  o 154.2547 4.195548 1168.244       63.28924 1104.728       77.96184 1291.000       108.3834 149.8530 5.323547 161.7433 6.861483 -11.89032      8.684475 
1 1 1 -12 18 10 o 78.77110 3.261568 304.6563       25.09337 289.3539       39.02878 315.4396       32.76273 76.56413 5.239366 80.07269 4.194756 -3.508560      6.711701 
1 1 1 -12 18 11 o 83.56215 3.240369 342.7830       26.45370 313.2235       40.46386 364.8470       34.95924 79.67083 5.217447 86.13123 4.158920 -6.460396      6.672209 
1 1 1 -12 18 12 o 120.4595 3.640225 712.2611       42.87232 738.5000       74.70820 699.3772       52.35030 122.3127 6.260916 119.2719 4.492123 3.040794       7.705728 
1 1 1 -12 18 13 o 116.1207 3.601380 661.9282       40.88458 736.5000       72.83144 627.6165       49.40302 122.1583 6.110413 112.9736 4.476422 9.184784       7.574662 
1 1 1 -12 18 14 f 68.65903 3.338777 231.6786       22.37110 219.2447       33.86683 241.3039       29.79743 66.57787 5.239009 69.97224 4.372429 -3.394371      6.823882 
1 1 1 -12 18 15 o 180.5504 3.976740 1599.801       70.28003 1638.703       103.1111 1566.047       96.04649 182.3637 5.783759 178.3273 5.509075 4.036453       7.987601 
1 1 1 -12 18 16 o 142.6525 3.507365 998.2328       48.97411 954.9227       70.20789 1039.280       68.34921 139.2438 5.160071 145.3306 4.811377 -6.086777      7.055188 
1 1 1 -12 18 17 o 32.32752 5.294040 52.74989       16.17264 49.69429       24.54609 55.09390       21.49879 31.08726 8.015264 32.79203 6.915944 -1.704769      10.58654 
1 1 1 -12 18 18 o 33.84838 5.018279 57.57577       16.12363 76.30876       23.86961 41.85515       21.86637 38.79911 6.515920 28.57744 7.661203 10.22167       10.05740 
1 1 1 -12 18 19 o 76.71338 3.213653 289.2057       24.07760 317.2226       36.06675 266.6808       32.33916 80.18148 4.614932 73.50787 4.516380 6.673607       6.457189 
1 1 1 -12 18 20 o 59.83104 3.504606 176.3393       20.43460 174.4131       29.48664 178.1191       28.34493 59.28237 5.132017 59.95388 4.872006 -0.6715126     7.076301 
1 1 1 -12 18 21 o 88.43111 3.122584 384.2474       26.98630 375.3913       38.76298 392.5768       37.59269 87.20881 4.556799 89.22594 4.317147 -2.017136      6.277115 
1 1 1 -12 18 22 o 91.38338 4.083057 411.6096       36.43013 409.6000       50.44618 413.8000       52.66542 90.85638 5.701135 91.27275 5.926976 -0.4163742     8.223867 
1 1 1 -12 18 23 o 91.44868 3.853593 412.1118       34.41716 424.0000       70.76052 408.4278       39.39051 91.75601 7.957209 90.93663 4.438749 0.8193817      9.111513 
1 1 1 -12 18 24 o 128.7640 3.974228 817.1760       50.03030 843.1000       95.23686 807.2950       58.79681 129.6288 7.538332 127.8021 4.708176 1.826729       8.887821 
1 1 1 -12 18 25 o 103.0650 3.172746 522.6227       31.96944 467.3450       44.46506 581.7752       45.99709 97.14893 4.689856 108.5032 4.339691 -11.35423      6.389653 
1 1 1 -12 18 26 o 102.0291 3.897701 513.9222       38.85432 444.3000       74.02257 540.3993       45.64841 93.47124 8.172710 104.4861 4.473704 -11.01486      9.317039 
1 1 1 -12 18 27 o 97.38640 3.262862 467.2782       31.05915 456.5070       44.05450 477.9230       43.79520 95.91106 4.706996 98.17861 4.569792 -2.267555      6.560398 
1 1 1 -12 18 28 o 101.0298 3.742006 504.3211       36.94106 478.0533       45.23715 556.9000       64.00140 98.08279 4.725807 105.3052 6.237103 -7.222443      7.825261 
1 1 1 -12 18 29 f 91.71902 3.287785 415.1531       29.46903 346.0311       39.63789 500.5721       44.06356 83.29994 4.882792 100.3734 4.496336 -17.07342      6.637672 
1 1 1 -12 18 30 o 71.00709 3.480566 249.4420       24.11752 200.6758       32.34312 310.5180       36.19575 63.21261 5.275285 78.90824 4.707690 -15.69563      7.070430 
1 1 1 -12 18 31 o 16.83457 6.721143 7.782498       16.70812 -5.119000      21.64008 26.82535       26.29085 16.00445 7.062588 24.26775 8.707386 -8.263302      11.21154 
1 1 1 -12 18 32 o 46.33451 4.395384 107.6330       19.69621 83.73719       25.57151 142.4882       30.88374 40.13936 6.747631 52.85140 6.080571 -12.71204      9.083164 
1 1 1 -12 18 33 o 89.95036 3.385970 400.4733       29.75886 417.3836       41.68343 382.8947       42.49919 91.37316 4.676116 87.37910 4.989719 3.994057       6.838374 
1 1 1 -12 18 34 o 124.3725 3.474556 766.0439       42.25751 818.5076       61.97955 720.4724       57.76507 127.7898 4.964469 119.8998 4.932520 7.890015       6.998265 
1 1 1 -12 18 35 o 71.20199 3.620417 251.9680       25.14949 265.7854       34.83691 236.9289       36.34446 72.66823 4.926791 68.36826 5.476740 4.299973       7.366679 
1 1 1 -12 18 36 o 41.94126 5.038358 89.59084       20.27047 78.43560       26.64327 104.9220       31.23461 38.38133 7.359581 44.50436 7.432038 -6.123035      10.45938 
1 1 1 -12 18 37 o 40.63434 5.443425 84.99347       21.10657 80.28777       27.68903 91.52013       32.60927 38.62634 7.594304 40.92028 8.422271 -2.293941      11.34055 
1 1 1 -12 18 38 o 22.31789 7.626012 25.01113       20.01009 3.564177       25.69258 58.07722       31.90190 18.66443 7.965397 32.09825 9.491157 -13.43382      12.39071 
1 1 1 -12 18 39 o 14.99842 7.069457 -24.90043      26.91876 -5.416000      58.32619 -30.17390      30.34367 24.98063 11.26749 15.63237 7.409243 9.348265       13.48530 
1 1 1 -12 18 40 o 29.96570 6.832962 48.82434       19.59589 32.93058       25.12057 73.52916       31.31893 24.96889 8.544189 35.90222 8.945107 -10.93333      12.37005 
1 1 1 -12 18 41 o 43.09631 5.042696 95.91446       20.87031 97.75466       27.34246 93.34576       32.30435 42.66216 6.773834 40.75831 8.377451 1.903843       10.77342 
1 1 1 -12 18 42 o 12.23534 5.819033 -21.27226      19.03401 -6.500130      21.96002 -65.89000      38.16497 15.48777 6.955834 15.14464 7.439898 0.3431292      10.18507 
1 1 1 -12 18 43 o 28.75951 6.784289 45.42763       18.78690 52.59152       24.83297 35.84022       28.72795 30.41350 8.169212 25.78053 9.117738 4.632969       12.24211 
1 1 1 -12 18 44 o 21.36819 7.621314 22.99307       20.11006 7.726000       28.62011 37.88161       28.26308 19.81182 8.429433 26.14392 9.058192 -6.332106      12.37361 
1 1 1 -12 18 45 o 27.09986 7.366294 41.30084       20.04781 40.65699       27.71113 42.00789       29.03925 26.73291 8.975498 27.11206 9.188115 -0.3791561     12.84449 
1 1 1 -12 18 46 o 20.15814 7.876124 17.28895       22.49817 -3.569546      27.40355 60.42000       39.40582 17.54638 7.833354 31.19347 10.70048 -13.64709      13.26128 
1 1 1 -12 18 47 o 54.37959 4.368051 151.8869       23.05495 193.3320       33.37626 114.0646       31.88415 60.42372 5.710942 45.08638 7.487267 15.33734       9.416689 
1 1 1 -12 18 48 o 30.88409 6.960712 53.66734       20.53711 65.14114       29.31547 42.60913       28.77966 32.89318 8.893618 26.89907 9.146586 5.994108       12.75760 
1 1 1 -12 18 49 o 34.97794 6.403037 67.20302       21.11470 64.20184       30.48553 69.97016       29.27277 32.45839 9.184590 34.22078 8.716408 -1.762394      12.66225 
1 1 1 -12 18 50 o 20.04478 7.597714 19.04770       20.49301 31.63115       30.16473 8.261656       27.92740 24.30682 9.216779 19.38166 8.288914 4.925165       12.39577 
1 1 1 -12 18 51 o 42.17149 5.510071 94.79241       22.20134 114.7893       32.60332 77.50268       30.31616 44.85455 7.703333 35.95316 8.707845 8.901398       11.62617 
1 1 1 -12 18 52 o 37.74969 7.169460 80.54088       25.52301 110.4689       32.17560 29.75000       41.91605 43.86770 7.778105 25.07884 10.40449 18.78886       12.99047 
1 1 1 -12 18 53 f 35.98713 6.361276 71.50023       21.58830 87.64070       32.53511 58.80383       28.85589 37.99213 8.904952 30.92719 8.994659 7.064943       12.65710 
1 1 1 -12 18 54 o 36.18015 6.999772 74.28262       23.89270 112.5000       43.21026 57.45209       28.67512 41.21122 10.63922 30.42109 8.999167 10.79013       13.93477 
1 1 1 -12 18 55 o 15.05614 6.714411 -2.435199      20.07742 -5.354856      30.35638 -0.1649315     26.76841 17.66633 8.032153 17.44419 7.767829 0.2221432      11.17384 
1 1 1 -12 18 56 f 34.71674 7.810730 71.86022       25.89815 60.29152       32.40024 92.33000       43.09852 30.29606 9.678970 36.01191 11.11600 -5.715849      14.73933 
1 1 1 -12 19 1  o 263.7479 6.075094 3421.917       156.8369 3438.000       275.4244 3414.200       190.7910 262.7451 10.73190 263.0200 7.418173 -0.2748413     13.04618 
1 1 1 -12 19 2  o 110.6577 4.496157 601.9584       48.59862 559.7000       74.27063 633.6000       64.26721 106.3232 7.178539 113.3687 5.810875 -7.045425      9.235675 
1 1 1 -12 19 3  o 53.16150 5.044851 140.0408       25.93718 110.6000       57.38341 147.6000       29.07694 46.24976 12.41614 54.52537 5.524229 -8.275604      13.58962 
1 1 1 -12 19 4  o 139.5018 3.521332 954.7039       48.04473 892.9417       70.22092 1009.063       65.87786 134.7003 5.336445 143.2895 4.703356 -8.589157      7.113311 
1 1 1 -12 19 5  f 109.4453 3.323895 587.6945       35.56698 480.7350       52.34926 679.3997       48.47274 98.75404 5.436611 117.5975 4.217908 -18.84348      6.880951 
1 1 1 -12 19 6  o 215.4699 5.194988 2281.104       109.5664 2309.256       137.4320 2232.000       181.5031 216.4630 6.493657 212.2040 8.757061 4.259018       10.90200 
1 1 1 -12 19 7  o 267.0839 6.166624 3510.842       161.2135 3387.313       194.7249 3780.000       287.4347 261.8539 7.605302 275.3972 10.68312 -13.54327      13.11372 
1 1 1 -12 19 8  o 136.5705 3.452173 915.0599       46.11131 912.7310       68.04712 917.0373       62.70272 136.1987 5.113313 136.5768 4.697321 -0.3780518     6.943399 
1 1 1 -12 19 9  o 108.8901 3.575299 582.0852       38.05554 604.9000       68.22332 571.7799       45.85172 110.6507 6.325364 107.8408 4.352709 2.809929       7.678300 
1 1 1 -12 19 10 o 26.09838 6.193140 34.88301       15.58166 26.11000       29.49541 38.27907       18.35136 25.30339 9.203321 27.33470 6.868213 -2.031313      11.48362 
1 1 1 -12 19 11 o 51.24719 3.842318 129.5631       19.13357 135.6000       33.86784 126.7331       23.18865 52.00610 6.817121 50.57479 4.739411 1.431305       8.302719 
1 1 1 -12 19 12 o 84.59669 3.137581 351.3185       25.93591 312.9930       39.21070 381.1290       34.58169 79.63972 5.056113 88.03466 4.023798 -8.394936      6.461829 
1 1 1 -12 19 13 o 86.19756 3.181176 364.7889       26.79435 370.1367       42.33026 361.2137       34.61063 86.62651 5.013644 85.67941 4.139172 0.9470978      6.501490 
1 1 1 -12 19 14 o 76.16408 3.201760 284.9600       23.81636 284.9333       37.01728 284.9789       31.11042 75.95831 5.006699 76.06614 4.194623 -0.1078262     6.531607 
1 1 1 -12 19 15 o 86.95387 3.156767 371.2673       26.82355 382.1191       41.67036 363.5893       35.05105 88.02199 4.855293 85.94164 4.179220 2.080353       6.406228 
1 1 1 -12 19 16 o 88.37318 3.125292 383.4934       26.99187 389.3943       40.53591 378.7928       36.17908 88.87054 4.676350 87.70852 4.226586 1.162018       6.303355 
1 1 1 -12 19 17 o 49.57148 3.735831 121.3265       17.99358 135.1236       27.74723 111.3138       23.63750 52.07681 5.527715 47.26641 5.194595 4.810402       7.585476 
1 1 1 -12 19 18 f 50.01484 3.742257 123.5304       18.18773 126.9440       27.44335 120.8567       24.28749 50.42127 5.658042 49.27522 5.109641 1.146049       7.623770 
1 1 1 -12 19 19 o 97.09735 3.144584 463.1417       29.84720 454.3925       43.73925 470.7661       40.83127 95.95856 4.670764 97.74010 4.278260 -1.781540      6.334000 
1 1 1 -12 19 20 o 86.83318 3.100195 370.5453       26.30774 402.3143       39.63949 345.5370       35.16978 90.28318 4.499724 83.68433 4.308079 6.598854       6.229531 
1 1 1 -12 19 21 o 50.87551 3.720436 127.9215       18.39907 123.2349       26.35093 132.3799       25.70164 49.63635 5.516712 51.53188 5.164950 -1.895531      7.557170 
1 1 1 -12 19 22 o 137.1322 3.937259 926.3298       52.79464 969.5237       67.35294 857.5000       85.02246 140.0436 4.921105 131.1502 6.644710 8.893402       8.268581 
1 1 1 -12 19 23 o 95.02842 3.170472 444.2573       29.44932 390.0342       41.00262 502.0318       42.32405 88.74388 4.737439 100.8125 4.298975 -12.06860      6.397227 
1 1 1 -12 19 24 o 132.4816 3.398793 864.0043       44.03801 882.6123       63.96260 847.2341       60.72199 133.4848 4.903734 130.8272 4.749668 2.657608       6.826855 
1 1 1 -12 19 25 o 114.9245 3.949400 652.1682       44.36128 619.2000       84.07216 664.8890       52.22308 110.5597 7.819158 115.8551 4.614352 -5.295410      9.079178 
1 1 1 -12 19 26 o 211.9610 5.245631 2231.571       108.8329 2079.000       185.7685 2311.302       134.2923 201.0962 9.464162 214.8626 6.392446 -13.76645      11.42076 
1 1 1 -12 19 27 o 105.8183 3.759813 553.3605       38.88145 488.3448       46.50285 704.4000       70.87867 99.09193 4.808766 118.4888 6.132141 -19.39686      7.792778 
1 1 1 -12 19 28 o 76.82210 3.358887 291.5534       25.19630 244.8901       34.62018 344.1065       36.74015 69.95879 5.090526 83.16442 4.530439 -13.20564      6.814568 
1 1 1 -12 19 29 o 105.3256 3.322303 547.7332       34.20863 501.9612       47.86034 595.5417       48.91348 100.3094 4.889203 109.4049 4.577688 -9.095505      6.697726 
1 1 1 -12 19 30 o 39.26182 5.242561 78.29397       19.64438 66.18000       26.42384 93.26206       29.37216 35.31246 7.848255 42.24326 7.371485 -6.930798      10.76726 
1 1 1 -12 19 31 o 74.45744 3.469273 274.5874       25.21490 281.5296       34.73912 266.8576       36.65659 75.00764 4.756083 72.87296 5.172632 2.134682       7.026837 
1 1 1 -12 19 32 o 24.22838 6.951838 30.70856       17.34551 30.30622       22.27347 31.32857       27.64968 24.51044 8.041016 25.50954 8.951488 -0.9990997     12.03275 
1 1 1 -12 19 33 o 43.67500 4.659930 96.23589       19.61397 60.40760       25.52189 147.9252       30.65492 33.55400 7.902100 53.82193 5.916256 -20.26793      9.871437 
1 1 1 -12 19 34 o 54.43064 4.074481 148.1731       21.55058 189.8636       30.13780 104.5508       30.82816 61.31345 5.066880 44.55553 7.322882 16.75792       8.904936 
1 1 1 -12 19 35 o 25.58027 7.103920 34.81176       18.41928 24.59948       23.64271 50.58142       29.37968 22.96498 8.255101 30.47798 9.131913 -7.512993      12.31010 
1 1 1 -12 19 36 o 46.25579 4.745297 108.5585       21.18073 124.2696       28.54163 89.30069       31.59937 48.99470 6.081986 40.49625 8.252208 8.498447       10.25132 
1 1 1 -12 19 37 o 37.92327 6.643846 76.30332       23.76384 74.56815       27.77755 81.04000       45.89436 36.92654 7.922457 37.03131 11.47774 -0.1047668     13.94646 
1 1 1 -12 19 38 o 30.57822 10.26485 52.68844       36.24463 28.66000       57.81090 68.25000       46.52363 28.66324 12.07764 34.04218 11.62823 -5.378937      16.76559 
1 1 1 -12 19 39 o 34.37448 6.043710 62.62237       19.59313 55.13874       25.21443 74.02833       31.12855 31.39214 8.138862 36.07792 8.876502 -4.685787      12.04298 
1 1 1 -12 19 40 o 19.71758 7.247926 17.85299       18.36632 17.93807       23.83501 17.72862       28.81592 20.90654 8.124306 21.91818 8.800796 -1.011642      11.97741 
1 1 1 -12 19 41 o 37.49711 5.994931 74.59605       21.26255 82.69793       25.31104 55.17000       39.19305 39.07801 6.867683 30.75502 10.66627 8.322985       12.68599 
1 1 1 -12 19 42 o 19.26951 7.073606 17.19573       17.48393 39.53024       22.67812 -15.53235      27.45232 26.57594 8.036595 16.12930 7.445819 10.44664       10.95569 
1 1 1 -12 19 43 o 62.22348 4.129958 196.5459       25.01159 204.5000       38.30959 190.6366       33.02032 61.96087 6.409019 60.34597 5.656111 1.614899       8.547930 
1 1 1 -12 19 44 o 23.56540 7.295806 30.61131       18.54954 49.76469       25.37670 8.635349       27.18231 29.33047 8.406332 19.54163 8.260376 9.788841       11.78559 
1 1 1 -12 19 45 o 15.52643 6.656081 2.266230       18.08747 -2.207103      24.16401 7.966399       27.27704 16.77389 7.429713 19.38141 8.237163 -2.607523      11.09286 
1 1 1 -12 19 46 o 38.41691 5.496067 78.43454       20.07897 67.71946       27.44283 90.77921       29.45580 34.00860 8.314666 39.88902 7.823824 -5.880424      11.41691 
1 1 1 -12 19 47 o 24.53839 7.850774 34.24407       21.31060 20.64120       26.33143 60.07000       36.28165 21.48547 8.482614 30.89214 10.26812 -9.406672      13.31875 
1 1 1 -12 19 48 o 11.82884 5.640629 -20.31116      18.12834 -12.83086      25.13407 -28.42212      26.17213 15.45240 7.130185 14.04811 6.720353 1.404297       9.798096 
1 1 1 -12 19 49 o 33.23744 6.426751 61.03072       20.15223 83.96207       29.13992 40.00988       27.89964 37.97090 8.088154 26.13894 9.002375 11.83196       12.10211 
1 1 1 -12 19 50 o 30.70033 6.890065 53.18795       20.19524 43.62635       29.10757 62.06290       28.04295 27.01551 9.198342 32.07623 8.709357 -5.060717      12.66738 
1 1 1 -12 19 51 o 38.68109 6.466517 82.42393       23.61999 94.51791       29.82556 62.08000       38.68312 40.50313 7.806079 30.96502 10.60252 9.538107       13.16618 
1 1 1 -12 19 52 o 20.54637 7.472071 21.82928       19.44135 31.35382       27.59829 12.44705       27.39132 23.84833 8.863321 19.87509 8.340346 3.973238       12.17045 
1 1 1 -12 19 53 o 23.72427 7.833572 32.31165       21.12635 22.80000       34.39184 38.07595       26.77322 22.85842 9.448473 25.40139 8.815392 -2.542971      12.92226 
1 1 1 -12 19 54 o 31.05514 6.722727 54.81276       19.84196 33.09259       28.92932 74.10712       27.26603 24.11597 9.052023 35.23279 8.078840 -11.11682      12.13288 
1 1 1 -12 19 55 o 20.48339 7.417005 22.61586       19.12814 42.98831       28.68311 6.299253       25.66962 26.23757 9.123324 18.10609 7.846556 8.131483       12.03343 
1 1 1 -12 20 1  o 130.2464 3.827718 832.8612       48.74615 925.0000       94.02185 798.9902       57.00607 136.7710 7.046856 127.4814 4.575865 9.289589       8.402185 
1 1 1 -12 20 2  o 272.3358 6.291949 3652.374       167.7244 3645.750       207.0998 3665.000       285.9232 271.5306 7.800186 270.9795 10.80134 0.5511169      13.32336 
1 1 1 -12 20 3  f 118.5274 3.977272 690.0553       46.07809 622.5417       58.84129 797.1000       74.09161 112.4019 5.363612 127.1239 5.971053 -14.72202      8.026320 
1 1 1 -12 20 4  o 191.6208 4.194886 1802.119       78.68087 1728.222       112.1655 1873.707       110.3986 187.2547 6.127817 195.0578 5.788617 -7.803131      8.429605 
1 1 1 -12 20 5  o 186.1315 5.962727 1707.021       108.4951 1707.021       108.4951 0.000000       0.000000 186.1315 5.962727 ?        ?        ?              ?        
1 1 1 -12 20 6  o 212.6806 5.187669 2223.498       107.9957 2137.134       131.6730 2401.000       188.7692 208.1582 6.470308 219.9411 8.786043 -11.78294      10.91144 
1 1 1 -12 20 7  f 164.8580 3.812772 1333.334       61.52578 1243.760       87.62894 1420.424       86.40517 158.8991 5.642999 169.9032 5.201683 -11.00409      7.674695 
1 1 1 -12 20 8  o 54.37541 3.571463 145.6357       18.90358 103.1663       33.05084 166.2833       23.04512 45.06209 7.773945 58.06567 4.080631 -13.00358      8.779851 
1 1 1 -12 20 9  o 36.41345 4.572233 66.13985       15.93821 97.25000       34.22166 57.52264       18.01081 43.61262 8.319960 33.74107 5.653205 9.871555       10.05885 
1 1 1 -12 20 10 o 129.0708 3.730889 818.0623       47.08585 748.1000       80.36434 854.6336       58.10344 122.9572 6.702682 131.8262 4.509554 -8.869049      8.078491 
1 1 1 -12 20 11 o 141.6898 3.487568 984.8153       48.36904 975.5742       71.58009 992.5808       65.61661 140.7301 5.205329 142.0331 4.726322 -1.303040      7.030902 
1 1 1 -12 20 12 o 127.7096 3.386236 800.5831       42.29254 805.1122       64.20488 797.1116       56.21055 127.8254 5.141999 127.2858 4.518781 0.5395813      6.845403 
1 1 1 -12 20 13 o 53.39653 3.629666 140.5619       18.85804 130.1118       31.75525 146.2551       23.43861 50.93443 6.518608 54.37620 4.442374 -3.441772      7.888406 
1 1 1 -12 20 14 f 109.9248 3.252400 593.2639       34.95651 594.0145       53.19436 592.6933       46.37603 109.7636 4.963937 109.7382 4.325946 0.2540588E-01  6.584412 
1 1 1 -12 20 15 o 212.1267 4.431403 2212.334       92.01165 2265.705       133.8170 2164.474       126.7210 214.0506 6.394049 209.2767 6.192976 4.773834       8.901506 
1 1 1 -12 20 16 o 80.39606 3.156125 317.6072       24.78852 329.1691       38.39532 309.3436       32.45995 81.63313 4.826678 79.21815 4.201192 2.414978       6.398972 
1 1 1 -12 20 17 o 154.0281 3.611486 1165.255       54.44929 1268.160       82.53825 1085.967       72.45013 160.2805 5.268159 148.3729 4.995719 11.90752       7.260214 
1 1 1 -12 20 18 o 71.97498 3.261781 254.8513       22.91988 253.9533       35.21297 255.5114       30.19074 71.58921 5.057706 71.93072 4.307719 -0.3415070     6.643556 
1 1 1 -12 20 19 o 88.31085 3.136485 383.3674       27.06907 374.5282       40.35727 390.5962       36.49617 87.03679 4.755165 88.98658 4.201892 -1.949791      6.345667 
1 1 1 -12 20 20 o 31.03743 6.311883 49.49004       18.52188 82.64000       27.34543 21.39000       25.17658 40.14124 7.225323 23.01814 8.481711 17.12310       11.14202 
1 1 1 -12 20 21 f 29.33298 5.770245 44.09451       15.97700 51.17359       23.10370 37.60643       22.11828 31.37233 7.603881 27.10298 7.872665 4.269350       10.94522 
1 1 1 -12 20 22 o 84.56686 3.163486 352.0037       26.14003 330.8257       37.55549 371.9056       36.40646 81.69350 4.716610 86.72233 4.302287 -5.028824      6.384049 
1 1 1 -12 20 23 o 61.98272 5.642207 192.3535       33.85668 238.0000       60.16472 171.2000       40.95705 67.80794 9.310284 57.97228 7.385184 9.835655       11.88370 
1 1 1 -12 20 24 o 114.5947 3.905702 648.5114       43.74562 643.1000       83.70587 650.5447       51.31022 112.7063 7.632574 114.5810 4.584190 -1.874748      8.903425 
1 1 1 -12 20 25 o 108.6259 4.820622 586.1641       51.12807 696.0000       86.65090 527.5000       63.32676 117.1362 7.598459 102.4774 6.344358 14.65879       9.898862 
1 1 1 -12 20 26 o 25.92134 8.134295 34.13979       22.97480 34.13979       22.97480 0.000000       0.000000 25.92134 8.134295 ?        ?        ?              ?        
1 1 1 -12 20 27 o 105.5805 3.836226 551.7577       39.57962 501.5816       46.95041 675.0000       73.58189 100.3404 4.794191 115.5970 6.529611 -15.25663      8.100623 
1 1 1 -12 20 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 20 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 20 30 o 71.31599 4.043759 253.0812       28.11222 252.1317       34.37049 255.0000       48.86229 70.88039 4.985776 70.36142 7.195912 0.5189743      8.754376 
1 1 1 -12 20 31 o 90.21135 3.910779 404.3951       34.45068 346.9283       40.54965 553.5000       65.31678 83.13806 5.006079 104.2814 6.430266 -21.14338      8.149180 
1 1 1 -12 20 32 f 44.92639 5.205248 102.5207       22.46711 96.92822       26.47810 116.9000       42.45740 43.25305 6.451056 46.17169 9.703213 -2.918644      11.65197 
1 1 1 -12 20 33 o 24.04150 7.582352 29.87342       19.93857 21.18054       22.99163 56.24000       40.04193 21.99260 8.105058 32.31725 10.78825 -10.32465      13.49364 
1 1 1 -12 20 34 o 68.44791 4.183180 234.4336       27.89292 247.3707       33.79728 206.8000       49.39479 70.00971 4.964130 62.30853 8.305596 7.701183       9.676028 
1 1 1 -12 20 35 o 25.27374 7.733374 33.94519       20.91596 28.79690       24.15755 49.36000       41.80139 24.06668 8.372464 30.64540 10.98140 -6.578720      13.80903 
1 1 1 -12 20 36 o 35.75703 6.624857 67.98918       22.33331 59.71494       25.60998 94.26000       45.63332 32.94096 8.019119 39.91256 11.21741 -6.971600      13.78900 
1 1 1 -12 20 37 o 19.92692 8.842012 -3.869791      34.37444 8.238000       55.11026 -11.58000      43.97776 25.85982 11.34607 21.42996 9.713402 4.429857       14.93598 
1 1 1 -12 20 38 o 45.26948 5.138975 105.6342       22.36886 106.2239       25.40523 103.6000       47.18380 45.04483 5.903963 41.19794 11.34265 3.846882       12.78720 
1 1 1 -12 20 39 o 35.88202 6.145393 68.51013       20.80813 86.30093       23.50850 4.142000       44.71598 40.36351 6.143742 23.16405 10.18985 17.19946       11.89868 
1 1 1 -12 20 40 o 13.49560 6.212835 -11.63894      18.92610 -11.63894      18.92610 0.000000       0.000000 13.49560 6.212835 ?        ?        ?              ?        
1 1 1 -12 20 41 o 16.66638 6.896471 6.480962       18.34967 6.779536       20.27353 5.128000       43.15651 17.35504 7.221046 22.79346 10.01927 -5.438427      12.35028 
1 1 1 -12 20 42 o 27.89992 7.841434 44.02541       22.29889 40.78000       25.64021 54.10000       45.17522 26.84050 8.613879 30.39938 11.33171 -3.558878      14.23399 
1 1 1 -12 20 43 o 29.58057 7.148973 48.89023       20.46734 35.31482       23.14180 97.65000       43.85828 25.15239 8.192830 39.30394 10.97938 -14.15155      13.69924 
1 1 1 -12 20 44 o 27.05601 7.376941 41.30196       20.06975 42.85255       22.83616 36.04000       42.06764 27.36304 8.013984 26.73574 10.66793 0.6273003      13.34274 
1 1 1 -12 20 45 o 12.53150 5.882109 -15.58170      18.29616 -11.92901      20.58365 -29.33000      39.93378 13.97503 6.449932 18.03534 8.533864 -4.060307      10.69712 
1 1 1 -12 20 46 o 33.15799 6.866093 61.43591       21.55045 52.93670       24.82602 87.42000       43.40816 30.01410 8.213275 36.35132 11.14417 -6.337215      13.84378 
1 1 1 -12 20 47 f 38.76596 6.275802 81.93152       23.00024 92.92753       26.99049 52.77000       43.95399 40.84909 7.002150 29.25885 11.11846 11.59024       13.13964 
1 1 1 -12 20 48 o 27.43066 8.609984 44.73538       25.73895 44.73538       25.73895 0.000000       0.000000 27.43066 8.609984 ?        ?        ?              ?        
1 1 1 -12 20 49 o 14.12488 6.485851 -9.984236      20.44308 -25.00121      23.86718 31.38000       39.61159 13.53555 6.459379 25.12392 10.23487 -11.58837      12.10274 
1 1 1 -12 20 50 o 20.44626 8.155422 17.84892       24.57686 17.84892       24.57686 0.000000       0.000000 20.44626 8.155422 ?        ?        ?              ?        
1 1 1 -12 20 51 o 40.41631 6.090058 89.07357       23.34509 76.22671       27.53690 121.9000       44.01779 36.02119 8.016483 43.38352 10.48347 -7.362331      13.19724 
1 1 1 -12 20 52 o 20.82009 8.084273 20.58640       23.58620 16.01000       28.93977 29.64000       40.70466 20.81494 8.641240 24.78175 10.26461 -3.966818      13.41765 
1 1 1 -12 20 53 o 37.51604 6.485526 78.47097       22.95469 59.34074       26.85200 130.4000       44.24066 31.14086 8.549970 44.79021 10.30538 -13.64935      13.39040 
1 1 1 -12 20 54 o 21.29207 7.796372 24.60538       21.21845 16.45298       24.88320 46.33000       40.61996 19.88761 8.108100 27.03668 10.57736 -7.149069      13.32748 
1 1 1 -12 20 55 o 19.38196 7.737165 16.90356       22.13850 17.23954       26.46252 16.12000       40.41223 20.20730 8.313780 22.17690 9.723485 -1.969608      12.79317 
1 1 1 -12 21 1  o 93.69168 4.304837 431.8999       39.37329 469.5000       64.71334 409.8000       49.61287 97.31519 6.837221 91.08941 5.591368 6.225777       8.832382 
1 1 1 -12 21 2  o 233.3406 4.795790 2675.472       109.5360 2637.327       156.0581 2712.513       153.7815 231.0739 6.907436 234.4077 6.709236 -3.333786      9.629461 
1 1 1 -12 21 3  o 152.0201 4.241045 1135.508       63.04572 1151.119       81.32903 1112.000       99.79947 152.8685 5.443964 149.9699 6.816397 2.898636       8.723532 
1 1 1 -12 21 4  o 43.84107 4.606558 95.45322       19.47309 91.87261       33.81377 97.23000       23.81955 42.32932 8.457113 44.09292 5.648540 -1.763596      10.16999 
1 1 1 -12 21 5  o 141.6323 4.827548 987.0674       66.82822 901.5000       95.85292 1068.000       93.22077 134.8752 7.287576 147.0163 6.494026 -12.14111      9.761206 
1 1 1 -12 21 6  o 71.71992 3.788753 253.1167       26.50323 225.9988       39.08474 276.2000       36.06017 67.46935 5.980138 74.78985 4.953740 -7.320496      7.765410 
1 1 1 -12 21 7  o 83.91961 3.294121 345.9173       27.00628 322.8055       43.44103 360.4764       34.47872 80.79193 5.526486 85.58371 4.127969 -4.791779      6.897984 
1 1 1 -12 21 8  o 129.2407 3.776576 820.4647       47.72411 989.4000       93.53601 761.0083       55.49038 141.3870 6.778445 124.3594 4.566370 17.02763       8.173068 
1 1 1 -12 21 9  o 151.6606 4.065037 1130.273       60.29088 1210.000       110.8248 1096.759       71.85421 156.2388 7.266628 149.2516 4.925179 6.987152       8.778456 
1 1 1 -12 21 10 o 194.3660 4.193941 1855.763       79.79005 1934.339       118.5173 1790.626       107.9078 197.9326 6.124646 190.5193 5.793119 7.413208       8.430392 
1 1 1 -12 21 11 o 80.79440 3.212391 320.7025       25.35416 325.0299       41.94355 318.2109       31.82725 81.07179 5.314847 80.38776 4.057980 0.6840286      6.686913 
1 1 1 -12 21 12 o 78.23330 3.194880 300.7456       24.41394 322.2648       40.63863 288.5932       30.53911 80.73537 5.169600 76.53433 4.091430 4.201035       6.592766 
1 1 1 -12 21 13 f 105.5786 3.180573 547.3810       32.83161 583.5520       51.38641 522.4302       42.67857 108.7788 4.838224 103.0059 4.242011 5.772835       6.434521 
1 1 1 -12 21 14 o 42.88584 3.966920 91.14416       16.46360 62.96559       27.88765 106.2187       20.39736 34.87392 8.291755 46.24009 4.566136 -11.36617      9.465875 
1 1 1 -12 21 15 o 60.15844 3.402468 178.2587       19.95367 174.1162       32.51087 180.7622       25.27389 59.11252 5.688964 60.46684 4.298225 -1.354321      7.130151 
1 1 1 -12 21 16 o 75.50822 3.191772 280.3908       23.53703 314.4059       37.97264 259.1683       29.99392 79.71723 4.889982 72.45084 4.248087 7.266396       6.477512 
1 1 1 -12 21 17 o 95.57543 3.135715 448.9639       29.29549 452.3906       44.38621 446.3190       38.99546 95.67825 4.754350 95.13381 4.198012 0.5444412      6.342488 
1 1 1 -12 21 18 o 49.86296 3.700097 122.9361       17.93046 153.5119       28.72895 103.4260       22.94880 55.47432 5.357381 45.45514 5.254505 10.01918       7.504089 
1 1 1 -12 21 19 o 60.78212 3.351644 182.1397       19.86349 177.3148       30.74815 185.5953       26.02207 59.63717 5.323299 61.20301 4.372534 -1.565842      6.888873 
1 1 1 -12 21 20 o 67.11809 3.315401 222.0329       21.71379 244.7724       33.62469 205.7668       28.43860 70.19267 4.925218 64.40437 4.540239 5.788307       6.698622 
1 1 1 -12 21 21 o 27.44809 6.078930 38.92650       15.90127 50.10151       23.99920 30.18152       21.23011 30.96874 7.894575 24.64784 7.830414 6.320896       11.11934 
1 1 1 -12 21 22 o 76.32553 3.337975 287.2532       24.87756 288.9946       36.27018 285.7061       34.18656 76.23473 4.886335 75.86009 4.625998 0.3746414      6.728754 
1 1 1 -12 21 23 o 78.98885 3.301289 307.6886       25.46813 273.2226       35.68763 343.4586       36.35644 74.06747 4.950910 83.20338 4.480631 -9.135910      6.677392 
1 1 1 -12 21 24 o 73.01067 3.884314 263.9553       27.65929 259.9598       34.90322 270.7000       45.34843 72.18781 4.969973 73.22691 6.390788 -1.039101      8.095851 
1 1 1 -12 21 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 21 26 o 33.30499 7.822761 58.74054       25.06524 58.74054       25.06524 0.000000       0.000000 33.30499 7.822761 ?        ?        ?              ?        
1 1 1 -12 21 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 21 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 21 29 o 29.06592 7.232375 44.81337       20.49334 37.26701       24.27193 63.55000       38.24561 26.76413 8.355195 34.18062 10.45706 -7.416485      13.38505 
1 1 1 -12 21 30 o 81.77940 4.380934 333.8478       34.94049 289.0000       44.91330 402.6000       55.60929 75.35521 6.142366 88.85471 6.437477 -13.49950      8.897740 
1 1 1 -12 21 31 o 59.67949 4.396324 178.4255       25.50127 184.1470       31.15070 166.8000       44.40378 60.31246 5.331453 56.06192 8.345878 4.250538       9.903437 
1 1 1 -12 21 32 o 50.98428 4.858461 131.3614       23.95328 146.3485       29.24255 100.8000       41.75834 53.54620 5.665119 42.44189 10.18238 11.10431       11.65223 
1 1 1 -12 21 33 o 36.37430 5.582318 68.32787       19.24158 60.33063       25.88175 78.20976       28.77026 33.33730 8.027961 38.06327 7.977619 -4.725964      11.31771 
1 1 1 -12 21 34 o 17.98235 7.059200 11.02057       18.14459 16.23252       23.83564 3.838371       27.98049 20.82168 8.115056 19.48225 8.313397 1.339432       11.61752 
1 1 1 -12 21 35 o 15.13692 6.673892 -3.456213      19.28360 -13.98094      22.00168 31.42000       40.05116 14.54502 6.696926 26.81691 10.49961 -12.27189      12.45354 
1 1 1 -12 21 36 o 12.01045 5.560522 -11.49788      15.47399 -2.766688      18.62753 -30.93827      27.79527 14.95324 6.577397 14.69047 6.999415 0.2627630      9.604894 
1 1 1 -12 21 37 o 26.63843 6.525707 38.44318       16.87885 18.90531       20.48690 79.73062       29.78150 20.49453 7.632702 37.75296 8.286906 -17.25843      11.26636 
1 1 1 -12 21 38 o 83.58657 3.389971 349.1031       27.67813 376.6481       38.71377 320.3025       39.58640 86.08576 4.611217 79.00768 5.146842 7.078079       6.910377 
1 1 1 -12 21 39 o 22.55287 7.101446 27.27872       17.49623 30.17464       20.43293 19.32000       33.87337 23.67380 7.697495 23.13174 9.448966 0.5420513      12.18747 
1 1 1 -12 21 40 o 54.86115 5.143257 155.5846       27.29704 145.1000       55.85051 158.8753       31.28877 47.72355 11.97658 54.98858 5.905558 -7.265030      13.35343 
1 1 1 -12 21 41 f 59.90430 5.566684 187.3857       32.26732 0.000000       0.000000 187.3857       32.26732 ?        ?        59.90430 5.566684 ?              ?        
1 1 1 -12 21 42 o 43.89012 6.012440 102.5738       25.15173 125.3000       52.72344 95.87802       28.61807 43.74208 11.96890 41.65762 7.283474 2.084465       14.01084 
1 1 1 -12 21 43 o 33.06402 7.475566 61.63298       23.62412 72.91000       47.12231 57.84710       27.30314 33.59392 11.69299 31.42911 8.618453 2.164808       14.52597 
1 1 1 -12 21 44 o 20.01698 7.779093 17.48156       21.85351 -16.04000      46.14981 27.17095       24.81167 20.66136 9.578582 22.88305 8.422074 -2.221695      12.75463 
1 1 1 -12 21 45 o 15.94361 7.035859 -1.321194      21.47746 0.8684000      48.53391 -1.854394      23.95016 22.65759 10.24345 16.65832 7.386692 5.999271       12.62899 
1 1 1 -12 21 46 o 15.11003 6.848646 -7.078632      21.86090 -58.81000      48.88420 5.853055       24.44101 17.88030 8.705265 18.08376 7.744530 -0.2034569     11.65158 
1 1 1 -12 21 47 o 20.44845 7.868731 19.50527       22.19759 34.21000       51.06844 16.07991       24.64775 26.72728 11.31119 20.12840 8.119332 6.598886       13.92360 
1 1 1 -12 21 48 o 23.93118 7.886126 32.57311       21.41440 39.92000       51.47135 31.03521       23.54928 27.42867 11.46624 23.57497 8.261994 3.853699       14.13277 
1 1 1 -12 21 49 o 18.20805 7.845790 5.536326       25.37597 0.5728000      49.89664 7.268000       29.47198 22.60631 10.28581 19.50370 8.429936 3.102606       13.29893 
1 1 1 -12 21 50 o 37.03099 4.933404 72.34799       17.43762 102.3791       24.42642 41.13743       24.90148 43.53297 5.882803 26.33252 8.492442 17.20046       10.33097 
1 1 1 -12 21 51 o 34.51859 6.695166 66.84593       21.80500 73.33000       25.38547 48.60000       42.58381 35.62776 7.516088 28.00653 10.86596 7.621237       13.21214 
1 1 1 -12 21 52 o 26.23326 5.852608 38.09843       14.64607 43.91078       15.68501 -1.467000      40.92295 28.19979 5.873421 20.54781 9.335830 7.651979       11.02972 
1 1 1 -12 21 53 o 18.09633 6.311700 17.06601       13.73373 8.484027       14.58998 83.81000       40.68806 15.55985 6.257236 34.75350 10.81288 -19.19365      12.49286 
1 1 1 -12 21 54 o 23.92219 9.272518 32.90708       30.98775 19.39000       46.73755 43.51000       41.39399 23.41284 10.35340 26.36910 10.56175 -2.956261      14.78998 
1 1 1 -12 22 1  o 59.92972 3.917122 177.0758       22.85224 264.8000       59.88682 162.1252       24.72299 72.52316 8.603662 57.26924 4.445134 15.25393       9.684122 
1 1 1 -12 22 2  o 92.10408 3.761298 417.0772       33.83827 363.5032       44.46478 490.8000       52.16024 85.76942 5.322586 99.70424 5.364408 -13.93481      7.556904 
1 1 1 -12 22 3  o 71.06242 3.860664 248.6375       26.75310 251.2186       39.74897 246.5000       36.17260 71.17323 5.754655 70.57199 5.274655 0.6012421      7.806282 
1 1 1 -12 22 4  o 45.54784 4.616487 103.0204       20.29797 87.98096       34.06456 111.3000       25.27507 41.32114 8.697794 47.21248 5.576779 -5.891338      10.33209 
1 1 1 -12 22 5  o 175.4504 4.525954 1514.154       77.66188 1459.000       140.2618 1538.539       93.26273 171.1753 8.396911 176.6715 5.399399 -5.496201      9.983067 
1 1 1 -12 22 6  o 75.51585 3.537879 280.4674       26.07825 301.3000       53.42889 273.9523       29.87911 77.72238 7.101395 74.56740 4.109557 3.154984       8.204771 
1 1 1 -12 22 7  o 23.97886 6.261047 29.42989       14.85153 -11.59000      37.45680 37.08157       16.17751 20.89858 9.253779 26.87659 6.265464 -5.978010      11.17535 
1 1 1 -12 22 8  o 52.71282 4.256802 137.4386       21.77705 67.60625       35.01222 181.5000       27.81128 36.15341 9.695290 60.55949 4.729200 -24.40608      10.78721 
1 1 1 -12 22 9  o 77.26830 3.289959 293.4861       24.82578 255.7808       39.81032 317.4794       31.75700 71.79034 5.712380 80.28187 4.054375 -8.491524      7.004944 
1 1 1 -12 22 10 o 107.6422 3.194080 569.0217       33.61660 571.7504       51.56442 567.0046       44.33295 107.6510 4.906472 107.3130 4.228817 0.3379211      6.477373 
1 1 1 -12 22 11 o 67.79251 3.254432 226.0706       21.53242 260.4465       36.70132 208.0276       26.58949 72.50741 5.205869 64.91016 4.207630 7.597244       6.693671 
1 1 1 -12 22 12 o 67.13750 3.273780 221.7844       21.44913 234.2811       36.02312 214.9204       26.69762 68.70091 5.400271 65.97916 4.154994 2.721748       6.813729 
1 1 1 -12 22 13 o 129.0915 3.341459 818.8365       42.18661 893.4929       65.67799 766.4007       55.04282 134.5275 4.996407 124.6804 4.517674 9.847130       6.735983 
1 1 1 -12 22 14 o 101.1440 3.170019 502.7448       31.34525 545.3993       49.98639 475.1024       40.23996 105.0630 4.873949 98.16749 4.197467 6.895470       6.432271 
1 1 1 -12 22 15 o 69.10414 3.255669 235.0633       21.95977 235.4395       36.10394 234.8424       27.66566 68.81544 5.403278 68.95320 4.117781 -0.1377563     6.793491 
1 1 1 -12 22 16 o 12.91375 5.563980 -1.131094      12.75978 11.96464       25.29194 -5.602210      14.77833 20.84738 8.287055 12.96344 5.772174 7.883940       10.09917 
1 1 1 -12 22 17 o 60.11391 3.425295 178.2409       20.07142 189.7877       33.03872 171.4864       25.26898 61.66452 5.532444 58.80635 4.422326 2.858170       7.082718 
1 1 1 -12 22 18 o 14.84725 6.079629 3.942065       14.06543 -14.25012      25.04433 12.32404       16.99966 16.07309 7.303003 18.32942 6.926158 -2.256334      10.06506 
1 1 1 -12 22 19 o 112.8310 3.216671 626.5375       35.48935 669.0411       54.38129 595.0072       46.83822 116.2110 4.791023 109.6945 4.370988 6.516541       6.485325 
1 1 1 -12 22 20 o 103.1282 3.207920 523.6862       32.34288 532.1674       49.01020 517.1432       43.04724 103.5605 4.848343 102.2318 4.311508 1.328697       6.488107 
1 1 1 -12 22 21 o 95.31855 3.237823 447.6712       30.16518 445.7367       44.99049 449.2511       40.65780 94.71245 4.869313 95.22408 4.373733 -0.5116348     6.545208 
1 1 1 -12 22 22 o 49.13449 4.223138 120.2286       20.11399 121.4055       29.56945 119.2151       27.44066 48.86271 6.331127 48.53278 5.897230 0.3299370      8.652196 
1 1 1 -12 22 23 o 25.19830 7.492814 32.71042       19.83754 35.09206       25.41898 29.00000       31.72723 26.44427 8.584500 25.88958 9.524567 0.5546932      12.82229 
1 1 1 -12 22 24 o 110.7656 5.174658 612.8323       55.94880 722.0000       87.90629 538.5000       72.53736 118.8985 7.592987 102.8130 7.254458 16.08557       10.50146 
1 1 1 -12 22 25 o 57.34431 4.709010 164.5811       26.19911 140.2204       31.68864 217.2000       46.57247 52.43008 6.300823 64.93920 7.462290 -12.50912      9.766582 
1 1 1 -12 22 26 o 54.29676 5.430189 148.9323       28.47315 168.4000       37.46120 122.3000       43.81559 57.28123 6.814775 47.54634 9.742433 9.734890       11.88933 
1 1 1 -12 22 27 o 65.26392 4.380821 212.6803       27.82352 219.0214       34.72033 201.3000       46.51355 65.88834 5.431755 62.16670 7.816274 3.721642       9.518304 
1 1 1 -12 22 28 o 111.4387 3.968741 616.9409       43.22162 642.4033       54.64656 574.4000       70.63440 113.2590 4.941173 105.9808 6.845611 7.278229       8.442606 
1 1 1 -12 22 29 o 94.00091 3.343406 437.4152       30.71391 367.8389       42.72922 511.7935       44.17913 85.52818 5.127530 101.2458 4.468949 -15.71762      6.801696 
1 1 1 -12 22 30 o 61.59749 3.773269 188.9576       22.64113 198.2619       33.08102 180.7586       31.05383 62.52452 5.460052 59.71552 5.370074 2.809006       7.658320 
1 1 1 -12 22 31 o 35.50542 5.541437 65.02206       18.62979 54.97789       25.72301 76.10269       27.01763 31.82989 8.204365 37.74202 7.576870 -5.912136      11.16784 
1 1 1 -12 22 32 o 28.50934 6.593692 43.24932       18.03353 54.84317       25.63370 31.88848       25.37480 31.71363 8.198168 25.12117 8.587555 6.592463       11.87249 
1 1 1 -12 22 33 o 26.73217 8.153393 38.45089       23.27396 27.89000       53.19124 40.95155       25.88317 28.41775 11.74880 27.55533 8.631915 0.8624134      14.57890 
1 1 1 -12 22 34 o 41.83656 6.697452 92.72478       26.50179 70.76000       55.92685 99.08514       30.09524 34.96754 12.67951 42.91899 7.432871 -7.951458      14.69754 
1 1 1 -12 22 35 o 36.99819 7.407703 74.56332       25.89039 44.74000       54.78121 83.14065       29.37852 30.42668 12.16262 38.81931 7.997950 -8.392630      14.55667 
1 1 1 -12 22 36 o 22.73891 8.326508 24.95075       24.20256 -15.60000      51.73340 36.31275       27.38413 22.58705 10.35149 26.02215 8.920359 -3.435101      13.66477 
1 1 1 -12 22 37 o 17.67030 7.601067 2.539185       23.73965 27.94000       49.92067 -4.883759      26.98638 27.09950 11.30771 17.48188 7.791067 9.617620       13.73190 
1 1 1 -12 22 38 o 28.13189 8.854115 44.88341       27.20123 60.83000       49.92208 38.15000       32.43966 32.07035 11.92039 26.68217 9.659321 5.388182       15.34269 
1 1 1 -12 22 39 o 51.22377 4.005962 132.9507       19.92594 145.3234       27.31808 118.8842       29.12800 52.88397 5.350945 47.15469 6.482069 5.729286       8.405346 
1 1 1 -12 22 40 o 21.93940 6.768917 25.98336       15.98327 41.22000       20.59194 2.891512       25.35023 27.11044 7.504522 18.09791 7.820286 9.012526       10.83858 
1 1 1 -12 22 41 o 41.25954 4.313328 87.27747       17.16274 91.00376       22.20961 81.75369       27.04087 41.51718 5.608522 38.27199 7.486550 3.245193       9.354355 
1 1 1 -12 22 42 o 42.00282 4.242301 90.42419       17.20280 103.6104       22.58645 72.20724       26.54764 44.45592 5.294442 35.63375 7.825877 8.822170       9.448569 
1 1 1 -12 22 43 o 37.58341 4.536203 73.21358       16.35049 84.52384       21.60257 58.04460       25.01771 39.81140 5.706562 31.62730 8.059228 8.184097       9.875019 
1 1 1 -12 22 44 o 13.84487 5.896463 2.082628       14.02830 -11.61005      17.73404 24.97608       22.93079 12.83329 5.945410 22.00936 8.097237 -9.176068      10.04555 
1 1 1 -12 22 45 o 50.18988 3.871432 128.4995       18.87238 170.4530       26.32840 84.16227       27.06604 57.29000 4.737351 38.47743 7.455710 18.81256       8.833466 
1 1 1 -12 22 46 o 22.54292 6.216438 28.13256       14.15981 26.15912       18.70718 30.77994       21.66733 21.88243 7.374720 23.45586 7.936723 -1.573431      10.83412 
1 1 1 -12 22 47 o 25.08074 5.997218 34.75381       14.52365 28.04235       19.02628 44.12535       22.48283 22.45297 7.434838 27.43919 7.927500 -4.986221      10.86840 
1 1 1 -12 22 48 o 24.91473 7.541228 35.76263       19.96207 35.76263       19.96207 0.000000       0.000000 24.91473 7.541228 ?        ?        ?              ?        
1 1 1 -12 22 49 o 22.22449 9.064392 21.41271       31.11367 -21.59000      47.47017 53.80000       41.19649 20.09687 9.446239 29.08004 10.82485 -8.983171      14.36693 
1 1 1 -12 22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 22 51 o 38.24660 9.262178 91.18599       34.30206 45.24000       53.33361 123.6000       44.79644 27.76414 11.64360 43.22704 10.65611 -15.46290      15.78374 
1 1 1 -12 22 52 o 44.45263 8.020589 116.7199       33.61497 111.8000       50.99642 120.5000       44.70079 38.73491 12.11364 42.17560 10.78644 -3.440689      16.21997 
1 1 1 -12 22 53 o 23.05471 9.105831 28.90581       30.35379 56.40000       46.13759 7.924000       40.30472 28.53673 11.24019 21.17332 9.472901 7.363405       14.69958 
1 1 1 -12 23 1  o 64.05439 3.961298 202.3398       24.71511 264.0000       60.26404 189.8720       27.09888 72.28786 8.691116 61.97181 4.497975 10.31605       9.786076 
1 1 1 -12 23 2  o 67.77840 3.822572 226.3520       25.25745 322.4000       62.16745 207.3636       27.64158 80.14586 8.032727 64.79251 4.384266 15.35335       9.151311 
1 1 1 -12 23 3  o 46.12249 3.966418 105.2824       17.73303 149.2000       56.05454 100.3984       18.69308 53.48146 11.07272 44.98720 4.297237 8.494255       11.87734 
1 1 1 -12 23 4  o 131.3637 3.368936 847.5253       43.28285 916.5000       99.95873 831.6085       48.01787 135.6688 7.557082 130.0650 3.775689 5.603806       8.447799 
1 1 1 -12 23 5  o 115.4002 3.679777 654.6942       41.51247 613.2000       76.27769 672.1560       49.48222 111.0087 7.056485 116.8299 4.334535 -5.821251      8.281435 
1 1 1 -12 23 6  o 227.9878 5.404770 2563.574       120.6132 2731.000       220.5368 2492.125       144.0686 233.1596 9.684297 224.2850 6.569480 8.874557       11.70229 
1 1 1 -12 23 7  o 95.21403 3.246387 445.4797       30.21147 395.1104       47.12881 480.6172       39.36311 89.33305 5.415176 98.78958 4.079505 -9.456528      6.779860 
1 1 1 -12 23 8  o 68.14878 3.371204 228.5814       22.41812 199.2023       38.81393 243.2884       27.46192 63.12706 6.368510 70.23232 4.011416 -7.105251      7.526578 
1 1 1 -12 23 9  o 76.05114 3.310851 284.5139       24.58724 276.5211       41.89458 288.7133       30.36694 74.58231 5.783905 76.51272 4.069358 -1.930412      7.072003 
1 1 1 -12 23 10 o 103.4383 3.649913 526.4386       36.89684 543.0710       50.69256 507.7000       53.80657 104.8300 4.954309 101.2472 5.449405 3.582726       7.364862 
1 1 1 -12 23 11 o 110.4745 3.247130 599.8403       35.07489 626.0289       54.75072 581.6108       45.67930 112.5448 4.982372 108.6071 4.305429 3.937660       6.584888 
1 1 1 -12 23 12 o 84.29759 3.213915 349.5021       26.47034 357.2032       43.27621 344.8986       33.45930 84.88132 5.234177 83.61037 4.100884 1.270943       6.649350 
1 1 1 -12 23 13 o 14.86339 5.851459 6.279784       12.49795 -8.897141      28.33455 9.945792       13.92583 18.11757 8.034049 16.59265 6.269023 1.524923       10.19051 
1 1 1 -12 23 14 o 35.70941 4.494821 63.86005       15.36362 74.05540       29.71665 60.14077       17.94851 37.70601 8.278878 34.44019 5.509872 3.265823       9.944774 
1 1 1 -12 23 15 o 40.32266 4.107396 80.93929       15.98537 80.39639       29.57920 81.16327       18.99873 39.35581 7.952369 40.23136 4.927246 -0.8755493     9.355102 
1 1 1 -12 23 16 o 43.20975 4.037313 92.81863       16.87810 111.3223       31.63131 85.45331       19.95650 46.66866 7.152059 41.25786 5.046578 5.410801       8.753280 
1 1 1 -12 23 17 o 89.64044 3.159547 395.5998       27.67932 410.7784       43.74376 385.4644       35.74533 90.96531 4.931295 88.29436 4.147589 2.670944       6.443614 
1 1 1 -12 23 18 o 31.38204 5.368181 50.21577       15.89749 63.09798       29.20238 44.79001       18.95193 34.59576 8.647861 29.35045 6.739275 5.245312       10.96373 
1 1 1 -12 23 19 o 25.59061 6.316164 34.01132       15.72383 35.09596       27.99253 33.51133       19.00550 26.85588 9.020994 25.47592 7.266368 1.379961       11.58354 
1 1 1 -12 23 20 o 76.94368 3.291091 292.0922       24.72947 326.3393       39.90068 270.7324       31.51137 80.90663 5.063760 73.84064 4.379461 7.065994       6.694874 
1 1 1 -12 23 21 o 58.60483 3.782562 170.2889       21.58241 184.0335       33.65621 160.6894       28.12689 60.43740 5.758755 56.61255 5.131459 3.824852       7.713309 
1 1 1 -12 23 22 o 70.17564 4.538270 245.3900       31.00615 228.3000       44.44049 261.6000       43.28114 66.90411 6.884234 71.92134 6.208742 -5.017235      9.270445 
1 1 1 -12 23 23 o 104.7512 3.343118 541.8890       34.23421 565.8009       51.23529 522.6028       46.01355 106.4843 4.928983 102.4578 4.599844 4.026421       6.741917 
1 1 1 -12 23 24 o 106.9138 4.006890 567.0627       41.85796 497.0401       49.97731 731.6000       76.61003 99.64870 5.141216 120.1536 6.538561 -20.50493      8.317744 
1 1 1 -12 23 25 o 32.69641 8.072216 57.14862       25.67722 70.14000       33.55040 38.78000       39.89408 35.92309 9.425423 28.99242 10.67786 6.930670       14.24272 
1 1 1 -12 23 26 o 91.05487 3.995249 412.0795       35.52178 365.9809       43.05818 510.3000       62.85105 85.35356 5.178163 100.1586 6.445096 -14.80504      8.267565 
1 1 1 -12 23 27 o 45.06665 5.691568 103.7674       24.54801 56.82927       29.89159 201.0000       43.02213 32.37464 9.071568 62.29441 7.187266 -29.91977      11.57368 
1 1 1 -12 23 28 o 86.42126 3.354913 369.9315       28.32581 368.6797       42.05134 370.9712       38.32497 85.63928 5.038763 86.10969 4.563278 -0.4704056     6.797988 
1 1 1 -12 23 29 o 64.48062 3.655479 206.8718       22.97721 163.4945       33.47386 245.5204       31.59668 56.42881 6.160303 69.92510 4.642680 -13.49629      7.713871 
1 1 1 -12 23 30 o 40.87544 6.196391 86.76273       24.01544 74.37000       54.49868 89.74906       26.75297 36.39094 12.57988 41.33573 6.851937 -4.944790      14.32489 
1 1 1 -12 23 31 f 14.02396 6.498836 -15.85887      21.21146 13.67000       50.97071 -22.04382      23.32734 26.30561 11.22262 14.09515 6.624171 12.21046       13.03176 
1 1 1 -12 23 32 o 39.14356 8.856343 85.14687       33.13729 91.01000       55.34279 81.87000       41.37376 38.87135 12.67025 37.57354 10.72249 1.297810       16.59841 
1 1 1 -12 23 33 o 25.19209 8.258628 33.64719       23.49715 40.14000       53.71858 32.11100       26.12939 29.88169 12.01004 25.01684 8.707191 4.864853       14.83429 
1 1 1 -12 23 34 o 31.24806 5.977132 51.84870       17.61600 56.26354       22.78002 45.28117       27.78420 32.00843 7.416291 28.48909 8.945993 3.519339       11.62033 
1 1 1 -12 23 35 o 16.60849 6.561075 9.324456       15.76162 5.563711       20.09535 15.33675       25.40847 17.12443 7.162004 20.71134 8.281837 -3.586916      10.94911 
1 1 1 -12 23 36 f 47.30389 4.751835 114.7680       21.70441 115.5084       26.62107 113.3000       37.48438 46.87683 5.934564 44.62325 8.894207 2.253590       10.69233 
1 1 1 -12 23 37 o 52.02817 4.016619 137.0583       20.29701 148.0891       27.84179 124.5463       29.65229 53.39517 5.401274 48.35777 6.423189 5.037403       8.392325 
1 1 1 -12 23 38 o 14.10180 6.068242 0.6377184      15.14089 16.68880       19.70987 -22.47102      23.64938 19.58222 7.444430 13.93893 6.587081 5.643297       9.940280 
1 1 1 -12 23 39 o 29.72784 6.055089 47.71662       17.02023 79.83000       23.61580 13.00670       24.55197 38.42804 6.510592 19.79902 8.060710 18.62902       10.36160 
1 1 1 -12 23 40 o 36.77466 4.665031 70.06226       16.41494 91.56718       22.12513 43.73212       24.48181 41.66189 5.564530 27.60478 8.350578 14.05711       10.03475 
1 1 1 -12 23 41 o 15.54535 6.061717 8.989816       13.30488 -1.804809      17.02311 25.93512       21.32848 14.28928 6.286467 22.24402 7.857220 -7.954734      10.06258 
1 1 1 -12 23 42 o 20.61599 6.159343 23.07420       13.38029 30.01247       17.45961 13.20047       20.82811 23.22845 7.057292 18.75514 7.498737 4.473310       10.29740 
1 1 1 -12 23 43 o 25.97635 5.594359 36.63715       13.80366 41.41278       18.21080 30.18779       21.16273 27.10361 6.859494 23.29302 7.843792 3.810587       10.42006 
1 1 1 -12 23 44 o 16.78936 5.967556 13.72796       12.31946 13.74337       15.69495 13.70322       19.88347 17.55720 6.650379 18.53640 7.354432 -0.9791946     9.915402 
1 1 1 -12 23 45 o 21.49607 6.404225 25.50293       14.48116 19.65370       15.45405 67.62000       41.46887 19.42343 6.699623 32.08574 10.97789 -12.66231      12.86076 
1 1 1 -12 23 46 o 26.46605 9.620499 41.38260       32.22341 23.12000       51.67819 53.00000       41.21740 25.27993 11.04188 29.00693 10.82172 -3.726999      15.46068 
1 1 1 -12 23 47 o 30.12473 11.91579 59.58000       52.04800 59.58000       52.04800 0.000000       0.000000 30.12473 11.91579 ?        ?        ?              ?        
1 1 1 -12 23 48 o 40.71889 8.623220 99.09007       33.29805 83.98000       51.15399 110.2000       43.86336 34.20084 12.15979 40.81637 10.80942 -6.615528      16.26973 
1 1 1 -12 23 49 o 33.28705 11.19056 76.36000       43.07557 0.000000       0.000000 76.36000       43.07557 ?        ?        33.28705 11.19056 ?              ?        
1 1 1 -12 23 50 o 25.38278 10.40750 33.91000       41.28753 0.000000       0.000000 33.91000       41.28753 ?        ?        25.38278 10.40750 ?              ?        
1 1 1 -12 23 51 o 28.86190 11.72708 55.62000       51.84391 55.62000       51.84391 0.000000       0.000000 28.86190 11.72708 ?        ?        ?              ?        
1 1 1 -12 23 52 o 25.26048 9.378725 39.04071       30.88678 12.28000       46.21639 60.64000       41.52092 22.57648 10.11902 29.49770 10.88824 -6.921227      14.86433 
1 1 1 -12 23 53 o 20.91811 8.760731 18.37970       30.13091 2.485000       45.46325 30.83000       40.23688 21.23283 9.720767 24.08306 10.10752 -2.850224      14.02339 
1 1 1 -12 24 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 2  o 73.83639 3.707129 268.6053       26.70686 213.5000       60.26089 282.0743       29.79250 64.42360 9.870152 75.62331 4.039464 -11.19971      10.66476 
1 1 1 -12 24 3  o 111.6854 3.888169 614.0519       42.44091 619.0000       83.48640 612.3276       49.28421 111.1936 7.718518 111.4128 4.528690 -0.2192230     8.948997 
1 1 1 -12 24 4  o 44.88258 4.155646 99.95515       18.04943 0.000000       0.000000 99.95515       18.04943 ?        ?        44.88258 4.155646 ?              ?        
1 1 1 -12 24 5  o 38.85164 4.617099 75.39799       17.21540 0.000000       0.000000 75.39799       17.21540 ?        ?        38.85164 4.617099 ?              ?        
1 1 1 -12 24 6  o 64.61179 4.321667 206.4509       27.17471 189.2000       59.43364 211.0105       30.55571 60.34554 10.43963 65.24344 4.818646 -4.897903      11.49805 
1 1 1 -12 24 7  o 164.5665 3.749723 1331.662       60.40137 1452.000       135.0278 1301.558       67.53502 170.1952 8.128807 162.5336 4.248663 7.661606       9.172167 
1 1 1 -12 24 8  o 47.25838 4.207115 110.8268       19.25797 53.01000       56.12676 118.5417       20.50261 34.75393 12.68724 48.86862 4.331005 -14.11469      13.40610 
1 1 1 -12 24 9  o 42.57781 3.989511 90.00233       16.43317 52.78061       30.89689 104.6856       19.40563 31.99280 9.308121 45.88742 4.373261 -13.89462      10.28429 
1 1 1 -12 24 10 o 61.64205 3.682012 187.5754       22.11489 200.9000       45.83585 183.5325       25.24799 62.96177 7.590376 60.88218 4.263680 2.079594       8.705905 
1 1 1 -12 24 11 o 94.22990 3.640290 437.4836       33.51299 463.7571       47.85622 412.2000       46.94594 96.72339 5.072491 91.12255 5.286088 5.600838       7.326179 
1 1 1 -12 24 12 f 29.60533 5.232777 44.63348       14.60931 59.80238       31.42405 40.45084       16.50101 33.80034 9.236855 27.99333 6.186983 5.807011       11.11747 
1 1 1 -12 24 13 o 157.8086 3.688350 1226.160       56.97298 1241.209       84.33331 1213.526       77.27282 158.1217 5.456985 156.5052 5.050808 1.616516       7.435681 
1 1 1 -12 24 14 o 58.15163 3.475188 167.0171       19.69068 144.0644       34.42379 178.1793       24.00576 53.29471 6.750026 59.96360 4.114928 -6.668892      7.905408 
1 1 1 -12 24 15 o 43.81133 3.952544 95.41644       16.76790 103.2430       32.11686 92.48369       19.66009 44.72338 7.608785 42.97783 4.752734 1.745548       8.971181 
1 1 1 -12 24 16 o 65.60883 3.311486 212.4167       21.19752 258.9450       37.04044 189.7575       25.84880 72.02345 5.290998 61.82209 4.298368 10.20136       6.816937 
1 1 1 -12 24 17 o 62.35762 3.403975 192.0885       20.69818 194.9193       35.96314 190.6864       25.31037 62.22600 5.977905 61.97990 4.196719 0.2460938      7.303957 
1 1 1 -12 24 18 o 66.19263 3.384684 216.4454       21.85695 255.4513       36.92809 195.4127       27.11690 71.46116 5.317463 62.66892 4.449542 8.792240       6.933529 
1 1 1 -12 24 19 o 37.54343 4.727814 71.01785       16.98961 99.13983       30.69953 58.60252       20.39802 43.69551 7.444377 33.63884 6.429288 10.05667       9.836387 
1 1 1 -12 24 20 o 123.7598 3.895593 758.1835       47.13225 810.8950       62.80022 690.2000       71.31978 127.5117 5.041525 117.0350 6.248347 10.47668       8.028625 
1 1 1 -12 24 21 o 108.3359 3.798686 581.1003       40.21976 626.6256       53.73390 523.1000       60.65085 112.0768 4.910001 101.8472 6.112016 10.22962       7.839952 
1 1 1 -12 24 22 o 46.45214 4.525835 108.2186       20.31772 103.5738       30.92734 111.7452       26.94893 44.58146 7.342731 46.78819 6.023988 -2.206738      9.497584 
1 1 1 -12 24 23 o 27.77108 8.793976 39.99932       26.79531 30.84000       36.94025 50.17000       38.92629 26.98355 10.20685 31.26271 10.63734 -4.279165      14.74222 
1 1 1 -12 24 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 24 25 o 90.46600 5.271399 411.8010       46.47635 383.0000       72.49345 431.9000       60.55960 85.18049 8.822224 91.84427 6.784241 -6.663780      11.12913 
1 1 1 -12 24 26 f 79.63837 4.216989 316.3699       32.75520 323.6041       41.55459 304.5000       53.22922 80.09959 5.330411 76.78014 7.165375 3.319443       8.930614 
1 1 1 -12 24 27 o 43.29772 4.860023 94.96633       20.24211 89.06013       31.55708 99.09532       26.38545 40.71318 8.202561 43.74069 6.347965 -3.027512      10.37201 
1 1 1 -12 24 28 o 81.69457 4.020618 332.9014       32.05207 316.4000       68.58626 337.5121       36.25448 76.58588 9.342298 82.05231 4.531631 -5.466423      10.38336 
1 1 1 -12 24 29 o 59.15739 4.578894 176.1948       26.30778 182.4000       59.41310 174.6814       29.34095 56.64976 11.11181 58.68226 5.160633 -2.032505      12.25172 
1 1 1 -12 24 30 o 56.54890 4.717881 161.7550       25.87651 177.0000       57.57013 157.8952       28.96761 55.56030 10.97533 55.59298 5.390958 -0.3267670E-01 12.22785 
1 1 1 -12 24 31 o 57.01254 4.882571 165.1728       26.98533 148.9316       33.18102 196.9000       46.37630 53.37499 6.483884 60.51164 8.027653 -7.136650      10.31911 
1 1 1 -12 24 32 o 15.33747 6.490314 2.524434       16.81120 -1.210211      22.97967 6.824607       24.65824 16.87816 7.367790 18.89807 7.920715 -2.019911      10.81767 
1 1 1 -12 24 33 o 46.40380 4.409321 109.5290       19.78736 127.3697       28.01552 91.76961       27.95169 49.36399 5.915736 41.17418 7.197374 8.189816       9.316551 
1 1 1 -12 24 34 o 35.75101 5.274892 66.61964       17.90516 54.29250       24.38820 81.03310       26.37136 31.13339 7.969872 38.55400 7.254219 -7.420614      10.77695 
1 1 1 -12 24 35 o 16.98738 6.884560 8.422081       17.81466 17.74023       22.08234 -8.946000      30.14784 20.43380 7.852104 17.85813 8.073493 2.575676       11.26219 
1 1 1 -12 24 36 o 34.55896 5.285370 62.59751       17.31169 73.75257       23.52668 49.42581       25.56499 36.85552 6.771007 29.42773 8.438490 7.427788       10.81918 
1 1 1 -12 24 37 o 19.66269 6.774546 19.49770       15.80007 31.53000       21.70734 5.940717       23.04166 24.07604 7.940156 17.99581 7.606016 6.080231       10.99534 
1 1 1 -12 24 38 o 21.46013 6.516748 24.85127       14.89000 21.51000       20.63582 28.48042       21.50644 21.01079 7.689357 23.10274 7.905699 -2.091948      11.02843 
1 1 1 -12 24 39 o 39.81728 3.951595 80.79541       15.19806 78.57185       20.48245 83.51937       22.67028 38.52073 5.595834 39.48968 6.058063 -0.9689484     8.247029 
1 1 1 -12 24 40 o 17.47701 5.838113 15.54800       11.72590 25.15200       15.27567 1.770978       18.29581 21.50551 6.614246 15.49150 6.668459 6.014012       9.392369 
1 1 1 -12 24 41 o 46.41069 3.404727 108.7361       15.35938 142.2727       21.07467 70.74156       22.43167 52.76598 4.112844 35.83636 6.639304 16.92962       7.809983 
1 1 1 -12 24 42 o 30.26255 9.696174 56.71655       32.49783 28.50000       50.02456 77.32000       42.74657 25.96591 11.09893 34.12400 11.13622 -8.158092      15.72265 
1 1 1 -12 24 43 o 23.08582 9.289591 24.70154       32.17934 85.92000       52.07728 -13.11000      40.92788 34.75992 12.27764 19.60067 9.063576 15.15925       15.26070 
1 1 1 -12 24 44 o 21.34935 8.963024 15.38238       31.65598 -9.216000      50.79815 31.00000       40.47641 21.91178 10.11995 25.19566 10.31481 -3.283878      14.45021 
1 1 1 -12 24 45 o 16.21288 7.624570 -21.22972      30.99698 -53.06000      50.54070 -2.038000      39.24442 18.46750 8.958922 20.35717 9.206534 -1.889671      12.84611 
1 1 1 -12 24 46 o 22.44078 10.27191 -1.607000      50.73385 -1.607000      50.73385 0.000000       0.000000 22.44078 10.27191 ?        ?        ?              ?        
1 1 1 -12 24 47 o 47.38244 7.634073 128.4927       34.20341 128.9000       52.89483 128.2000       44.83909 42.61714 12.11135 44.53774 10.46411 -1.920601      16.00570 
1 1 1 -12 24 48 o 36.73616 11.11791 92.75000       43.38980 0.000000       0.000000 92.75000       43.38980 ?        ?        36.73616 11.11791 ?              ?        
1 1 1 -12 24 49 o 26.09890 9.583871 40.83828       32.09951 41.30000       50.73073 40.53000       41.45285 27.12852 11.36507 26.45679 10.57861 0.6717262      15.52649 
1 1 1 -12 24 50 o 27.68311 9.707426 48.73579       32.51304 25.27000       51.43690 64.35000       41.95824 24.91692 10.94597 30.54891 10.99520 -5.631989      15.51479 
1 1 1 -12 24 51 o 36.32260 11.26346 95.23000       44.19075 0.000000       0.000000 95.23000       44.19075 ?        ?        36.32260 11.26346 ?              ?        
1 1 1 -12 24 52 o 29.67172 11.47458 64.36000       47.37163 64.36000       47.37163 0.000000       0.000000 29.67172 11.47458 ?        ?        ?              ?        
1 1 1 -12 25 1  o 103.9903 3.190693 531.7789       32.43921 543.1000       77.00015 529.3361       35.76826 103.9485 7.620714 103.6960 3.529092 0.2525482      8.398200 
1 1 1 -12 25 2  o 46.37898 4.745608 107.2499       21.24024 0.000000       0.000000 107.2499       21.24024 ?        ?        46.37898 4.745608 ?              ?        
1 1 1 -12 25 3  o 54.22926 4.381430 145.9082       23.05924 0.000000       0.000000 145.9082       23.05924 ?        ?        54.22926 4.381430 ?              ?        
1 1 1 -12 25 4  o 91.71655 3.194719 413.8176       28.63669 415.9000       76.90247 413.4823       30.85579 90.44781 8.797340 91.64089 3.446002 -1.193085      9.448181 
1 1 1 -12 25 5  o 84.27767 3.200248 349.5197       26.35194 291.5000       67.48994 359.9564       28.62409 75.37239 9.348125 85.49454 3.427427 -10.12215      9.956640 
1 1 1 -12 25 6  o 26.43450 5.638075 35.92496       14.14307 56.08000       54.82590 34.48813       14.63852 34.95901 12.57036 25.86044 5.912181 9.098570       13.89129 
1 1 1 -12 25 7  o 93.31866 3.191276 428.5031       29.10714 458.0000       74.94758 423.2639       31.58652 95.11873 8.127606 92.69732 3.487414 2.421410       8.844210 
1 1 1 -12 25 8  o 73.79969 3.235168 268.2650       23.31315 229.4000       65.03735 273.9952       24.97269 66.26369 10.36677 74.55574 3.431185 -8.292046      10.91984 
1 1 1 -12 25 9  o 164.7718 3.785747 1337.268       61.05773 1343.000       131.9374 1335.706       68.87706 162.9696 8.298260 164.4750 4.281913 -1.505417      9.337874 
1 1 1 -12 25 10 o 64.07664 4.447401 203.7348       27.72099 165.7000       60.78619 213.7221       31.14862 55.59725 11.54770 65.54363 4.890392 -9.946384      12.54055 
1 1 1 -12 25 11 f 37.53279 4.166372 70.35336       15.04890 34.80000       54.18104 73.32545       15.66529 31.18654 12.21160 38.31173 4.248686 -7.125189      12.92960 
1 1 1 -12 25 12 o 63.49587 3.431567 199.0642       21.24846 0.000000       0.000000 199.0642       21.24846 ?        ?        63.49587 3.431567 ?              ?        
1 1 1 -12 25 13 o 31.92579 5.969730 52.38872       17.96964 -46.62000      51.16439 66.32000       19.19228 21.01267 9.854571 36.10512 5.612918 -15.09245      11.34096 
1 1 1 -12 25 14 o 76.10155 3.736881 286.3097       27.75102 190.3000       60.78620 311.5893       31.19124 59.69702 10.80017 79.33438 4.029860 -19.63736      11.52751 
1 1 1 -12 25 15 o 74.32878 3.235819 272.5476       23.48582 258.6223       38.69616 280.6687       29.55097 71.84922 5.545117 75.26859 4.025636 -3.419373      6.852304 
1 1 1 -12 25 16 o 12.08106 5.404125 -5.395094      13.11121 -3.111544      28.86468 -5.988730      14.71708 19.01841 8.280481 12.79796 5.725111 6.220452       10.06694 
1 1 1 -12 25 17 o 51.44691 3.772208 131.4408       18.86390 110.7196       34.01916 140.6410       22.66810 46.07490 7.822602 53.09119 4.401533 -7.016293      8.975890 
1 1 1 -12 25 18 o 32.30686 5.464005 53.49955       16.66332 29.70632       31.36715 62.85424       19.66812 25.90133 9.480019 34.94817 5.963346 -9.046837      11.19965 
1 1 1 -12 25 19 o 25.70505 6.872113 34.62223       17.62398 17.93736       30.92189 42.65000       21.44876 23.28321 9.192342 28.42380 7.573237 -5.140593      11.91021 
1 1 1 -12 25 20 o 78.53439 3.901459 306.1282       29.89725 312.2124       41.87140 299.8000       42.70307 78.79086 5.463025 77.11086 5.697917 1.680000       7.893726 
1 1 1 -12 25 21 o 53.44837 4.080755 142.4862       21.18777 148.0361       34.25364 139.0468       26.96532 53.67631 6.662511 52.45189 5.325928 1.224415       8.529629 
1 1 1 -12 25 22 o 76.40118 3.847513 289.9972       28.68047 299.8000       51.37841 285.5598       34.56758 76.43137 6.943259 75.53773 4.698447 0.8936386      8.383570 
1 1 1 -12 25 23 o 52.30264 6.464809 140.7278       32.39295 97.87000       46.27703 181.9000       45.35789 41.70261 11.12986 58.81399 8.093266 -17.11138      13.76135 
1 1 1 -12 25 24 o 79.06769 4.419832 312.4406       34.07053 283.7352       43.26534 359.3000       55.27863 74.69968 5.966750 83.65572 6.809649 -8.956039      9.053917 
1 1 1 -12 25 25 o 67.58266 4.769417 229.5215       31.34791 165.5239       39.15369 343.8000       52.32069 56.33849 7.269304 81.87827 6.583733 -25.53978      9.807565 
1 1 1 -12 25 26 o 104.0672 3.458567 537.1707       35.18134 452.8754       50.87478 614.4260       48.70404 94.56763 5.520089 110.8041 4.499949 -16.23642      7.121863 
1 1 1 -12 25 27 o 78.97748 4.566070 313.1221       35.14766 0.000000       0.000000 313.1221       35.14766 ?        ?        78.97748 4.566070 ?              ?        
1 1 1 -12 25 28 o 35.03101 6.918730 65.29336       22.88184 38.66000       56.34737 70.55261       25.03935 30.50567 12.28655 36.30124 7.300143 -5.795570      14.29165 
1 1 1 -12 25 29 o 66.36884 4.453133 221.9134       28.76176 126.7000       59.51649 250.9244       32.85262 45.45041 12.82355 70.43468 4.793725 -24.98428      13.69026 
1 1 1 -12 25 30 o 27.12017 7.721495 40.13556       21.47989 -0.3724000E-01 51.69522 48.51867       23.61495 24.46431 10.84994 29.67302 7.964605 -5.208708      13.45943 
1 1 1 -12 25 31 o 42.59962 4.632651 92.65249       19.00634 122.1622       29.19815 70.95430       25.03712 48.18233 6.345069 36.10301 7.335400 12.07932       9.698866 
1 1 1 -12 25 32 o 17.53942 6.815073 11.55386       16.77050 -25.04019      24.51746 43.73107       22.99029 14.05632 6.661601 28.01657 7.992182 -13.96025      10.40442 
1 1 1 -12 25 33 o 12.75631 5.837372 -9.269182      16.36929 -17.55017      22.97418 -0.7302504     23.32924 14.32705 6.681248 16.95595 7.412224 -2.628892      9.978985 
1 1 1 -12 25 34 o 24.42285 7.193492 32.71626       18.35520 26.58958       22.93573 43.63000       30.61165 22.85112 8.140352 27.83944 9.433601 -4.988317      12.46026 
1 1 1 -12 25 35 o 14.03650 6.039498 0.6157389      14.99475 -4.229028      20.05877 6.752291       22.57512 15.12067 6.729238 18.03507 7.570167 -2.914402      10.12868 
1 1 1 -12 25 36 o 14.29255 6.008837 3.039576       14.25871 7.750000       20.03464 -1.795339      20.29766 17.45178 7.212360 15.61854 6.868130 1.833237       9.959385 
1 1 1 -12 25 37 o 38.34952 9.390079 87.43085       34.96104 35.75000       54.93997 122.6000       45.32152 28.14331 11.81111 44.64075 10.54175 -16.49744      15.83132 
1 1 1 -12 25 38 o 22.62718 9.192647 20.38898       31.85182 54.84000       48.80942 -5.164000      42.03619 30.33286 11.66927 21.05393 9.524357 9.278923       15.06271 
1 1 1 -12 25 39 o 34.43996 9.424882 71.78993       32.68988 39.89000       48.75685 97.84000       44.06007 27.82245 11.34721 38.97317 11.04633 -11.15071      15.83605 
1 1 1 -12 25 40 o 19.52144 8.501611 4.808366       30.44292 -36.56000      45.98675 37.08000       40.61711 18.84697 8.986320 26.46805 10.50812 -7.621080      13.82659 
1 1 1 -12 25 41 o 22.67837 9.152776 22.88791       31.33975 8.995000       48.93298 32.55000       40.80754 23.47156 10.47381 25.53631 10.39370 -2.064753      14.75567 
1 1 1 -12 25 42 o 23.16889 9.286214 25.39212       32.02178 59.68000       51.58537 3.897000       40.84380 30.28061 11.89798 21.42242 9.563560 8.858191       15.26511 
1 1 1 -12 25 43 o 15.19632 7.282767 -32.32552      31.04067 -44.40000      50.55715 -25.02000      39.32545 19.09027 9.186587 18.09324 8.533230 0.9970360      12.53832 
1 1 1 -12 25 44 f 17.48176 8.016274 -9.915478      31.08377 -29.95000      50.31916 2.447000       39.52725 19.97722 9.489631 20.91308 9.366953 -0.9358597     13.33390 
1 1 1 -12 25 45 o 34.61018 12.41234 87.87000       53.41696 87.87000       53.41696 0.000000       0.000000 34.61018 12.41234 ?        ?        ?              ?        
1 1 1 -12 25 46 o 36.67191 9.237909 83.39965       33.13845 84.38000       52.25134 82.74000       42.86113 34.04460 12.26783 34.77026 11.13486 -0.7256546     16.56758 
1 1 1 -12 25 47 o 28.91072 10.77969 54.25000       40.88643 0.000000       0.000000 54.25000       40.88643 ?        ?        28.91072 10.77969 ?              ?        
1 1 1 -12 25 48 o 30.76639 9.653839 60.65374       32.36098 127.4000       52.03639 18.56000       41.32401 42.10756 12.02786 23.08431 9.979825 19.02325       15.62902 
1 1 1 -12 25 49 o 23.24877 9.251571 28.21388       31.55474 19.15000       50.36674 34.07000       40.48480 24.09728 10.69716 25.08283 10.29753 -0.9855537     14.84818 
1 1 1 -12 25 50 o 28.40418 9.554025 52.48757       31.39766 -1.311000      47.25201 95.02000       42.01409 21.34363 9.822499 36.74429 10.89891 -15.40065      14.67201 
1 1 1 -12 25 51 o 29.91603 9.503726 59.33853       31.27332 66.32000       46.76359 53.69000       42.06319 29.94838 11.44711 27.92935 10.80937 2.019033       15.74417 
1 1 1 -12 26 1  o 33.86885 5.201985 58.11212       16.69492 0.000000       0.000000 58.11212       16.69492 ?        ?        33.86885 5.201985 ?              ?        
1 1 1 -12 26 2  o 87.72672 4.246986 380.7012       36.36024 0.000000       0.000000 380.7012       36.36024 ?        ?        87.72672 4.246986 ?              ?        
1 1 1 -12 26 3  o 71.56193 3.678836 252.8884       25.68258 315.0000       66.38056 241.9541       27.85161 78.36743 8.805835 69.91991 4.087343 8.447517       9.708198 
1 1 1 -12 26 4  o 26.78893 6.274288 37.18132       16.16159 109.8000       55.54044 30.46360       16.89259 44.99746 12.27312 24.33155 6.820167 20.66590       14.04080 
1 1 1 -12 26 5  o 25.79266 6.096638 34.44595       15.14711 0.000000       0.000000 34.44595       15.14711 ?        ?        25.79266 6.096638 ?              ?        
1 1 1 -12 26 6  o 98.12359 3.170765 474.0580       30.41397 459.7000       74.47527 476.9318       33.31894 95.07940 8.078812 98.36362 3.466009 -3.284218      8.790928 
1 1 1 -12 26 7  o 16.01766 6.055354 9.351519       12.99715 -14.44000      51.82612 10.94825       13.42621 24.23746 10.79966 16.70271 6.186829 7.534748       12.44626 
1 1 1 -12 26 8  o 82.59907 3.221589 336.2293       25.99668 267.3000       66.16698 348.8120       28.27007 71.61035 9.687989 84.09206 3.441791 -12.48171      10.28120 
1 1 1 -12 26 9  o 142.6535 3.530718 1002.683       49.30053 859.4000       102.4279 1045.885       56.24412 130.0046 8.089291 145.5187 3.952341 -15.51408      9.003201 
1 1 1 -12 26 10 o 80.00439 3.431704 315.8820       26.81136 0.000000       0.000000 315.8820       26.81136 ?        ?        80.00439 3.431704 ?              ?        
1 1 1 -12 26 11 o 53.77837 3.574941 143.1999       18.71156 103.3000       58.84517 147.6880       19.73590 43.37415 12.90679 54.59327 3.715416 -11.21912      13.43092 
1 1 1 -12 26 12 o 72.34342 3.264472 258.2965       23.05674 250.6000       64.55356 259.4219       24.68499 69.00827 9.834796 72.45790 3.490764 -3.449631      10.43593 
1 1 1 -12 26 13 o 23.01346 6.026445 27.47852       13.73320 -59.86000      53.68953 33.59297       14.20579 20.55527 9.775107 25.43657 5.830510 -4.881298      11.38190 
1 1 1 -12 26 14 o 50.59326 3.829394 127.1994       18.82314 0.000000       0.000000 127.1994       18.82314 ?        ?        50.59326 3.829394 ?              ?        
1 1 1 -12 26 15 o 80.93864 3.645314 324.2592       28.80587 266.7000       68.18731 336.7631       31.78105 70.74520 10.13616 82.40720 3.951520 -11.66200      10.87916 
1 1 1 -12 26 16 o 37.84550 4.354089 71.96429       15.83583 15.50000       56.26797 76.82133       16.50287 28.33229 11.92548 39.10997 4.386377 -10.77768      12.70659 
1 1 1 -12 26 17 o 57.04729 3.533838 161.3819       19.63589 106.5000       59.76308 168.0235       20.79010 43.34741 13.03264 58.18441 3.669112 -14.83701      13.53928 
1 1 1 -12 26 18 o 60.43488 3.826087 181.5253       22.51716 177.4000       59.66130 182.2106       24.31544 56.72086 11.14360 60.47277 4.132703 -3.751907      11.88525 
1 1 1 -12 26 19 o 19.63529 6.733870 18.18473       15.60543 -24.66000      52.75101 22.29398       16.33666 22.98417 10.50304 21.18394 6.882436 1.800228       12.55714 
1 1 1 -12 26 20 o 35.14315 5.305094 63.19545       17.68123 96.74000       55.68284 59.43395       18.64623 41.18731 12.62092 33.91309 5.827100 7.274216       13.90118 
1 1 1 -12 26 21 o 73.66784 3.751069 269.6577       26.95921 0.000000       0.000000 269.6577       26.95921 ?        ?        73.66784 3.751069 ?              ?        
1 1 1 -12 26 22 o 30.97339 7.498847 51.26888       22.48904 49.41000       55.60369 51.63243       24.59004 32.56656 12.47372 30.98214 8.039922 1.584423       14.84028 
1 1 1 -12 26 23 o 55.40691 6.794973 158.9654       36.08115 161.3000       60.85797 157.7000       44.80490 52.98756 12.01191 54.25845 8.732604 -1.270882      14.85074 
1 1 1 -12 26 24 o 88.43427 5.411423 395.6537       46.61803 352.7000       73.70148 424.3000       60.18804 80.81272 9.498449 90.73221 6.827157 -9.919487      11.69746 
1 1 1 -12 26 25 o 80.73964 5.535818 330.9926       43.48495 293.2000       69.33218 355.5000       55.83150 73.14095 9.941396 82.84650 6.948891 -9.705551      12.12924 
1 1 1 -12 26 26 o 66.52451 4.368820 222.1837       28.29058 181.4000       62.21247 232.8159       31.76491 55.92747 11.73909 67.92570 4.808656 -11.99823      12.68580 
1 1 1 -12 26 27 o 61.37719 4.492828 189.9405       26.80488 119.9000       59.44509 207.8163       30.03129 44.22472 12.92365 64.07361 4.823803 -19.84888      13.79456 
1 1 1 -12 26 28 o 50.66238 7.284872 136.6606       35.08809 97.91000       56.28006 161.3000       44.87775 39.92963 12.75651 54.20177 8.757313 -14.27214      15.47317 
1 1 1 -12 26 29 f 41.39782 5.794723 89.39299       22.83872 79.10000       54.26465 91.60875       25.17723 36.16774 12.55026 41.65627 6.377432 -5.488529      14.07767 
1 1 1 -12 26 30 o 33.82603 6.732614 61.74939       21.50745 69.33000       52.99722 60.25477       23.53236 34.06999 12.34451 33.09790 7.444626 0.9720917      14.41560 
1 1 1 -12 26 31 o 40.60514 4.828254 84.87070       18.81477 43.40000       52.66700 90.93746       20.14402 29.66165 11.90216 41.97575 5.001001 -12.31409      12.91013 
1 1 1 -12 26 32 o 10.67492 5.129555 -21.21090      15.63172 21.62000       48.73920 -26.12173      16.50354 25.99426 11.02774 10.53040 5.111049 15.46385       12.15458 
1 1 1 -12 26 33 f 23.61788 10.54585 1.581000       49.69191 1.581000       49.69191 0.000000       0.000000 23.61788 10.54585 ?        ?        ?              ?        
1 1 1 -12 26 34 o 25.35193 9.559686 32.80043       32.34628 -10.76000      49.13810 66.11000       42.96915 22.14667 10.12664 32.75510 11.17550 -10.60843      15.08113 
1 1 1 -12 26 35 o 38.26974 11.34555 93.32000       45.53751 0.000000       0.000000 93.32000       45.53751 ?        ?        38.26974 11.34555 ?              ?        
1 1 1 -12 26 36 o 55.18156 6.959728 165.6838       36.75727 126.0000       54.23405 199.4000       49.99016 43.46121 12.23390 58.77700 8.972964 -15.31578      15.17176 
1 1 1 -12 26 37 o 48.35373 7.643688 130.6509       34.97650 131.4000       53.73142 130.1000       46.07505 44.42456 12.05282 45.80655 10.50096 -1.381989      15.98564 
1 1 1 -12 26 38 o 37.97547 8.893349 85.34210       32.47312 70.97000       49.98167 95.84000       42.71710 32.88975 11.97778 38.68377 10.84630 -5.794014      16.15888 
1 1 1 -12 26 39 o 25.02442 9.421912 33.98652       31.39417 63.94000       49.56610 13.92000       40.56927 31.34913 11.83099 22.84624 9.882595 8.502890       15.41551 
1 1 1 -12 26 40 o 35.70451 9.374604 78.58293       33.17455 138.3000       52.59233 39.12000       42.75313 45.12045 11.78251 26.73795 10.72545 18.38250       15.93307 
1 1 1 -12 26 41 o 20.24382 8.743468 8.950001       31.65946 -14.21000      50.75565 23.70000       40.50523 21.37713 9.956165 23.97491 10.10627 -2.597788      14.18668 
1 1 1 -12 26 42 o 25.16977 9.560654 35.26210       32.49186 33.40000       51.93079 36.46000       41.65180 26.56967 11.33132 26.11382 10.54727 0.4558468      15.48043 
1 1 1 -12 26 43 o 23.13703 9.314974 25.58654       32.37333 -7.482000      51.50732 47.18000       41.62196 22.00059 10.17136 27.79391 10.75373 -5.793322      14.80200 
1 1 1 -12 26 44 o 24.43671 10.87457 16.61000       52.37575 16.61000       52.37575 0.000000       0.000000 24.43671 10.87457 ?        ?        ?              ?        
1 1 1 -12 26 45 o 19.06772 8.837958 -13.12000      39.25863 0.000000       0.000000 -13.12000      39.25863 ?        ?        19.06772 8.837958 ?              ?        
1 1 1 -12 26 46 o 18.37289 8.228958 -0.9894428     30.50384 -41.89000      47.75500 27.20000       39.64583 18.46163 8.895287 24.12918 10.07333 -5.667549      13.43868 
1 1 1 -12 26 47 o 41.98110 8.573708 106.1292       34.03887 79.28000       52.81915 125.2000       44.51544 32.76097 12.24479 43.56405 10.55227 -10.80308      16.16432 
1 1 1 -12 26 48 o 26.54302 9.606441 43.88713       32.08276 54.21000       51.28548 37.25000       41.12296 28.58010 11.64468 25.60972 10.42998 2.970381       15.63275 
1 1 1 -12 26 49 o 25.50342 9.421008 40.08828       31.09486 3.568000       46.23436 70.25000       42.01707 21.66135 9.873381 31.37321 11.03273 -9.711864      14.80556 
1 1 1 -12 26 50 o 17.16575 7.864234 -6.405691      29.82477 41.96000       45.05834 -44.12000      39.78868 25.99180 10.78571 16.19518 7.877810 9.796619       13.35633 
1 1 1 -12 27 1  o 60.76603 5.137603 184.6497       30.27211 0.000000       0.000000 184.6497       30.27211 ?        ?        60.76603 5.137603 ?              ?        
1 1 1 -12 27 2  o 73.95339 3.282582 269.8171       23.70262 253.5000       62.66593 272.5413       25.60484 69.70754 9.425578 74.28005 3.531745 -4.572510      10.06552 
1 1 1 -12 27 3  o 57.18139 3.516051 161.7447       19.58442 172.8000       58.75994 160.3631       20.77212 56.70371 10.98359 56.89400 3.750920 -0.1902885     11.60641 
1 1 1 -12 27 4  o 46.02280 4.380504 105.7177       19.49577 126.8000       56.53749 102.8726       20.76967 48.04537 12.04589 45.31540 4.753151 2.729969       12.94974 
1 1 1 -12 27 5  f 80.22643 3.699163 318.1721       28.97055 235.8000       65.22228 338.4185       32.33548 66.73824 10.31664 82.67420 4.007734 -15.93596      11.06774 
1 1 1 -12 27 6  o 42.15287 4.123548 88.65112       16.79655 51.81000       55.32261 92.39194       17.62869 33.79510 12.55105 43.01783 4.241771 -9.222721      13.24845 
1 1 1 -12 27 7  o 11.28005 5.103680 -6.496393      12.07609 -4.679000      51.49821 -6.602143      12.42246 25.09152 10.98960 11.45440 5.180062 13.63712       12.14925 
1 1 1 -12 27 8  o 19.39759 6.290253 18.36722       13.64993 -22.68000      52.25517 21.37315       14.14090 23.32804 10.57946 20.62549 6.367433 2.702549       12.34784 
1 1 1 -12 27 9  o 38.86836 4.274721 75.67925       15.99520 70.82000       55.11150 76.12622       16.71467 36.93627 12.65497 38.94389 4.465505 -2.007614      13.41973 
1 1 1 -12 27 10 o 48.12944 5.544409 117.1340       25.64322 -3.393000      58.54922 145.7416       28.52460 26.70523 11.70650 53.76354 5.497642 -27.05831      12.93315 
1 1 1 -12 27 11 o 26.25508 5.697127 35.77737       14.21964 -117.2000      55.42181 46.55732       14.71213 17.58998 8.702065 30.16016 5.169443 -12.57019      10.12171 
1 1 1 -12 27 12 o 44.43110 3.833110 98.34720       16.50751 85.52000       57.53277 99.49793       17.23205 39.51597 12.92098 44.66099 3.983645 -5.145023      13.52113 
1 1 1 -12 27 13 o 66.49879 3.277315 218.6725       21.26660 224.7000       63.67063 217.9156       22.56237 64.56835 10.42962 66.33840 3.486913 -1.770050      10.99707 
1 1 1 -12 27 14 o 114.4414 3.286136 646.8159       36.77264 557.1000       82.67762 668.9404       41.05720 103.7648 8.206921 116.2750 3.611799 -12.51025      8.966529 
1 1 1 -12 27 15 o 27.27641 5.687839 38.65965       14.69339 -8.332000      57.64046 41.92545       15.19540 25.76238 11.43953 28.43720 5.658187 -2.674826      12.76237 
1 1 1 -12 27 16 o 39.52522 4.812991 78.99333       18.23722 35.39000       63.56079 82.90507       19.03770 31.88442 12.97382 40.48098 4.904503 -8.596558      13.86990 
1 1 1 -12 27 17 o 37.33467 4.894493 70.73056       17.45620 75.13000       54.15118 70.22037       18.44062 37.07513 12.54706 37.10878 5.220996 -0.3365326E-01 13.58998 
1 1 1 -12 27 18 o 26.79396 5.977593 37.59654       15.27853 7.560000       52.57770 40.36683       15.96756 26.31911 11.31659 27.76531 6.046953 -1.446198      12.83085 
1 1 1 -12 27 19 o 47.81034 4.399025 114.7868       20.35597 0.000000       0.000000 114.7868       20.35597 ?        ?        47.81034 4.399025 ?              ?        
1 1 1 -12 27 20 o 64.96548 3.925466 210.3237       24.84558 0.000000       0.000000 210.3237       24.84558 ?        ?        64.96548 3.925466 ?              ?        
1 1 1 -12 27 21 o 52.95717 5.704315 143.1246       29.10303 0.000000       0.000000 143.1246       29.10303 ?        ?        52.95717 5.704315 ?              ?        
1 1 1 -12 27 22 o 35.33043 6.947746 66.09592       23.17034 205.5000       61.12408 42.70287       25.03906 60.68066 10.68085 28.21614 8.424786 32.46452       13.60359 
1 1 1 -12 27 23 o 25.27660 8.558574 32.43328       25.19587 35.16000       57.24990 31.77826       28.05941 30.31142 12.32064 25.46591 9.010597 4.845510       15.26398 
1 1 1 -12 27 24 o 46.92572 6.005854 113.7608       26.95467 109.2000       58.95924 114.9659       30.30736 42.59469 12.97429 46.83817 6.809968 -4.243473      14.65291 
1 1 1 -12 27 25 o 17.65719 7.155009 8.383922       19.23869 -31.62000      54.10228 14.17467       20.58409 22.15435 10.30499 19.48064 7.555567 2.673710       12.77808 
1 1 1 -12 27 26 o 57.93846 4.030047 168.5876       22.71264 204.6000       58.43494 162.1788       24.65090 60.03465 10.31572 56.65097 4.481980 3.383675       11.24732 
1 1 1 -12 27 27 o 43.48400 5.795386 98.43156       24.05350 2.183000       52.97303 123.4304       26.99711 24.87802 11.01086 48.77864 5.765647 -23.90063      12.42907 
1 1 1 -12 27 28 o 43.56164 8.484676 105.7251       34.87677 44.14000       54.29042 149.0000       45.50963 30.19753 12.09549 51.23997 9.420831 -21.04244      15.33143 
1 1 1 -12 27 29 o 33.05350 5.771845 57.79229       17.99492 69.21000       50.82084 56.15558       19.24151 33.83300 12.11010 32.35395 6.302508 1.479053       13.65197 
1 1 1 -12 27 30 f 56.28350 3.727993 159.4078       20.42246 144.1000       54.74219 161.8827       22.01159 48.06275 11.73883 56.60498 3.998474 -8.542236      12.40113 
1 1 1 -12 27 31 o 25.86762 11.01852 21.11000       48.99823 21.11000       48.99823 0.000000       0.000000 25.86762 11.01852 ?        ?        ?              ?        
1 1 1 -12 27 32 o 26.10307 10.97173 25.25000       47.52229 25.25000       47.52229 0.000000       0.000000 26.10307 10.97173 ?        ?        ?              ?        
1 1 1 -12 27 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 27 34 o 23.58829 10.13443 14.43000       42.10397 0.000000       0.000000 14.43000       42.10397 ?        ?        23.58829 10.13443 ?              ?        
1 1 1 -12 27 35 o 25.78457 9.535382 36.09406       31.86985 -14.63000      47.59919 77.31000       42.90671 21.23467 9.803273 34.72370 11.14287 -13.48903      14.84142 
1 1 1 -12 27 36 o 33.02047 9.448506 66.17218       32.08414 59.66000       47.61003 71.59000       43.42577 30.91708 11.61089 33.29765 11.23610 -2.380569      16.15743 
1 1 1 -12 27 37 o 18.23307 8.156979 -3.267293      29.88017 -30.99000      44.99690 18.60000       39.96339 19.10697 9.046206 23.51732 9.981672 -4.410351      13.47099 
1 1 1 -12 27 38 o 23.04910 9.189811 24.73924       31.19380 -33.76000      48.58716 65.76000       40.68631 19.53731 9.293297 31.84566 10.87437 -12.30835      14.30445 
1 1 1 -12 27 39 o 16.54698 7.719882 -17.72286      30.72669 -70.08000      48.70169 16.90000       39.60386 17.13254 8.414041 22.92671 9.839211 -5.794163      12.94628 
1 1 1 -12 27 40 o 16.07734 7.574826 -22.06492      30.84664 -19.74000      50.59925 -23.44000      38.91393 20.84789 9.784509 18.07830 8.514584 2.769588       12.97053 
1 1 1 -12 27 41 o 16.36226 7.678862 -20.27931      31.15720 -15.34000      50.68250 -23.28000      39.50351 21.25327 9.915298 18.24881 8.589924 3.004456       13.11869 
1 1 1 -12 27 42 o 20.45872 8.873199 9.285219       32.87976 -41.81000      51.30362 44.90000       42.83246 19.27319 9.269375 27.39755 10.81816 -8.124359      14.24619 
1 1 1 -12 27 43 o 21.42966 9.032823 16.28870       32.35456 -4.228000      51.47273 29.69000       41.60033 22.20379 10.23046 24.80704 10.33456 -2.603249      14.54185 
1 1 1 -12 27 44 o 26.18752 10.48182 38.96000       40.74098 0.000000       0.000000 38.96000       40.74098 ?        ?        26.18752 10.48182 ?              ?        
1 1 1 -12 27 45 o 19.27262 8.467027 5.041188       30.78196 1.106000       48.66859 7.665000       39.74041 22.14507 10.10771 21.39426 9.499339 0.7508087      13.87095 
1 1 1 -12 27 46 f 26.01830 9.557172 40.98481       31.92480 4.708000       50.27901 65.49000       41.32388 22.69205 10.32495 30.94991 10.93638 -8.257858      15.04025 
1 1 1 -12 27 47 o 18.82877 8.363974 2.724817       30.84315 -8.208000      50.22263 9.345000       39.08125 21.32468 9.922306 21.31668 9.444931 0.7999420E-02  13.69886 
1 1 1 -12 27 48 o 19.95903 8.565076 12.06428       30.00745 49.89000       45.96985 -16.02000      39.61057 27.52380 11.09337 18.52239 8.681599 9.001410       14.08662 
1 1 1 -12 27 49 o 22.54609 9.071620 27.15677       30.68408 32.95000       46.62246 22.73000       40.75474 24.77962 10.65557 22.89986 9.905476 1.879757       14.54852 
1 1 1 -12 28 1  o 50.87314 5.059517 130.0864       24.86080 211.9000       59.96098 113.1025       27.31967 63.02862 10.05683 47.12481 6.063026 15.90382       11.74309 
1 1 1 -12 28 2  f 41.64569 5.986022 88.60402       23.70114 96.68000       57.67508 86.96309       25.99775 41.73132 12.85520 41.04075 6.702782 0.6905708      14.49770 
1 1 1 -12 28 3  f 21.83623 6.567954 24.32404       15.17613 40.44000       54.40691 22.96432       15.80338 31.59827 12.27583 21.40924 6.750206 10.18903       14.00932 
1 1 1 -12 28 4  o 85.79976 3.213081 363.4068       26.93680 387.1000       70.80357 359.3972       29.12703 86.42016 8.479197 85.25678 3.497714 1.163376       9.172283 
1 1 1 -12 28 5  o 57.43159 4.005142 164.0445       22.37406 184.1000       60.07049 160.8141       24.10876 58.14093 10.95716 56.77393 4.371950 1.366993       11.79718 
1 1 1 -12 28 6  o 53.59494 4.063852 143.0509       21.16016 160.5000       58.78563 140.4535       22.68044 53.90481 11.49259 53.02223 4.409942 0.8825760      12.30964 
1 1 1 -12 28 7  o 51.89713 3.704638 133.8049       18.69518 131.3000       57.93166 134.0961       19.75196 48.30583 12.23943 51.90873 3.916326 -3.602894      12.85073 
1 1 1 -12 28 8  o 52.47445 3.699046 136.7987       18.87783 113.3000       57.79190 139.6055       19.97348 44.74385 12.64061 52.97380 3.878890 -8.229950      13.22236 
1 1 1 -12 28 9  o 99.78461 4.006124 494.0300       39.04905 454.4000       76.22887 508.1292       45.46773 93.54945 8.414588 100.9785 4.612286 -7.429100      9.595753 
1 1 1 -12 28 10 o 75.45316 3.304098 281.5278       24.34346 210.9000       65.40485 292.8853       26.22783 61.98610 11.19150 76.91682 3.492766 -14.93072      11.72387 
1 1 1 -12 28 11 o 98.83054 3.240111 482.5562       31.30183 419.3000       74.51578 496.1100       34.49269 89.60595 8.601325 100.1246 3.524992 -10.51865      9.295609 
1 1 1 -12 28 12 o 85.22106 3.211553 358.9445       26.74179 324.7000       68.19589 365.1670       29.07005 78.45042 9.046367 85.88920 3.464921 -7.438774      9.687230 
1 1 1 -12 28 13 o 71.53646 3.337184 253.3565       23.30319 146.2000       62.71653 270.5201       25.10017 50.39355 12.71647 73.88827 3.480304 -23.49471      13.18413 
1 1 1 -12 28 14 o 35.76418 4.567396 64.71218       15.62468 -0.3981000     54.87617 70.45628       16.29933 25.89220 11.34218 37.34418 4.553045 -11.45198      12.22192 
1 1 1 -12 28 15 o 104.8220 3.727585 545.1469       38.18514 513.7000       78.74850 554.8140       43.66164 99.22560 8.180580 105.5413 4.235008 -6.315674      9.211796 
1 1 1 -12 28 16 o 13.56330 5.823385 -0.2524648     13.88436 -25.69000      51.40442 1.749354       14.42033 22.43205 10.29458 14.29908 6.028958 8.132977       11.93008 
1 1 1 -12 28 17 o 51.16788 3.970423 130.8120       19.73018 0.000000       0.000000 130.8120       19.73018 ?        ?        51.16788 3.970423 ?              ?        
1 1 1 -12 28 18 o 15.25909 6.415146 2.514312       16.25204 0.000000       0.000000 2.514312       16.25204 ?        ?        15.25909 6.415146 ?              ?        
1 1 1 -12 28 19 o 30.62570 7.162611 50.08176       21.08647 0.000000       0.000000 50.08176       21.08647 ?        ?        30.62570 7.162611 ?              ?        
1 1 1 -12 28 20 o 42.94507 4.779282 93.51842       19.75015 53.71000       57.58356 98.82570       21.02552 33.09734 12.68961 44.10412 4.956026 -11.00679      13.62309 
1 1 1 -12 28 21 o 19.30172 7.290409 15.00466       18.83006 67.84000       56.35782 8.365282       19.97816 35.19233 12.73284 17.95193 7.285085 17.24040       14.66962 
1 1 1 -12 28 22 o 29.30742 6.906416 45.98444       19.48547 109.1000       57.10542 37.66751       20.72959 42.62069 12.72232 26.49635 7.598903 16.12433       14.81893 
1 1 1 -12 28 23 o 38.12870 7.390609 78.11560       26.58680 101.2000       57.66071 71.88260       29.96191 40.77825 12.89860 36.04034 8.611252 4.737907       15.50895 
1 1 1 -12 28 24 o 42.61172 6.776723 96.16568       27.31991 54.14000       57.28873 108.5362       31.08181 32.46081 12.60069 45.06540 7.295413 -12.60460      14.56023 
1 1 1 -12 28 25 o 61.41710 6.404755 197.2056       37.93818 173.8000       59.32562 213.4000       49.34733 53.94221 11.58201 62.66140 8.245473 -8.719181      14.21727 
1 1 1 -12 28 26 o 72.89339 4.264029 268.1575       30.29102 172.7000       60.96947 299.4414       34.90344 53.08659 12.01451 76.81628 4.664016 -23.72969      12.88804 
1 1 1 -12 28 27 o 33.80286 6.943161 62.19178       22.20364 53.60000       52.43416 64.06905       24.50960 31.23043 12.07355 34.03722 7.553896 -2.806784      14.24191 
1 1 1 -12 28 28 o 41.94095 4.775136 90.46386       19.25464 100.2000       52.95226 88.98039       20.66954 39.50250 12.34227 41.40309 5.215748 -1.900589      13.39909 
1 1 1 -12 28 29 o 37.34695 6.836318 75.74487       24.07034 79.55000       54.39552 74.81836       26.84128 35.32177 12.54109 36.63843 7.728014 -1.316666      14.73096 
1 1 1 -12 28 30 o 24.37945 10.77078 7.783000       50.46824 7.783000       50.46824 0.000000       0.000000 24.37945 10.77078 ?        ?        ?              ?        
1 1 1 -12 28 31 o 35.08749 9.570060 73.50603       33.77002 21.59000       49.24299 119.6000       46.39976 25.75500 11.01041 43.93100 10.85431 -18.17600      15.46109 
1 1 1 -12 28 32 o 41.50922 8.746610 99.57329       34.41478 61.00000       50.79706 132.3000       46.78929 31.65367 11.97006 46.49405 10.52689 -14.84039      15.94044 
1 1 1 -12 28 33 o 22.48347 9.977162 3.970000       43.77531 0.000000       0.000000 3.970000       43.77531 ?        ?        22.48347 9.977162 ?              ?        
1 1 1 -12 28 34 o 34.34803 9.629399 71.79228       33.67181 -13.26000      49.15274 147.0000       46.22064 21.63127 9.977646 49.35241 9.912535 -27.72115      14.06456 
1 1 1 -12 28 35 o 17.36802 7.908414 -9.109341      29.56736 -30.43000      44.42887 7.840000       39.61333 19.02663 9.002454 21.96823 9.629586 -2.941601      13.18230 
1 1 1 -12 28 36 o 47.15878 7.669855 125.6577       34.18882 106.1000       51.01793 141.6000       46.06165 39.20315 12.09305 47.81773 10.15512 -8.614578      15.79140 
1 1 1 -12 28 37 o 15.69194 7.405920 -23.07652      29.71659 -15.45000      45.87582 -28.59000      39.00617 20.43257 9.499067 17.72261 8.400118 2.709955       12.68047 
1 1 1 -12 28 38 o 22.84629 9.190333 24.19180       31.48477 25.13000       50.11433 23.58000       40.46863 25.34601 10.97386 23.96694 10.10224 1.379070       14.91579 
1 1 1 -12 28 39 o 18.98679 8.432390 1.212408       31.33324 55.80000       50.99291 -31.90000      39.71533 29.48460 11.75169 17.52437 8.354421 11.96023       14.41869 
1 1 1 -12 28 40 o 30.18192 9.705123 57.44385       32.53701 98.47000       52.30669 31.55000       41.55518 36.78260 12.33113 25.22265 10.40193 11.55995       16.13248 
1 1 1 -12 28 41 o 18.96360 9.112003 -40.21000      49.31174 -40.21000      49.31174 0.000000       0.000000 18.96360 9.112003 ?        ?        ?              ?        
1 1 1 -12 28 42 o 32.77590 9.703012 68.85332       33.32588 59.36000       52.67339 75.19000       43.03412 29.78192 11.91909 32.99884 11.18509 -3.216925      16.34537 
1 1 1 -12 28 43 o 22.88758 9.859046 18.27000       40.04540 0.000000       0.000000 18.27000       40.04540 ?        ?        22.88758 9.859046 ?              ?        
1 1 1 -12 28 44 o 22.93620 9.146601 26.55497       30.90718 33.74000       47.87356 21.42000       40.47161 25.75081 10.92712 23.28554 9.968863 2.465265       14.79122 
1 1 1 -12 28 45 o 43.37436 8.278947 112.1015       33.86729 83.67000       52.62645 132.2000       44.24717 33.36093 12.26789 45.04586 10.26470 -11.68494      15.99578 
1 1 1 -12 28 46 o 25.08909 9.470646 37.63198       31.76564 61.80000       51.78277 23.05000       40.22286 29.56109 11.82223 23.28181 9.952014 6.279272       15.45340 
1 1 1 -12 28 47 o 17.03733 7.824742 -8.042012      29.77473 28.95000       45.10974 -36.60000      39.63512 24.40229 10.48713 16.78392 8.091168 7.618366       13.24563 
1 1 1 -12 28 48 o 18.46341 8.182304 4.415717       29.34474 5.210000       43.84056 3.771000       39.49781 21.17028 9.635918 20.32612 9.210001 0.8441639      13.32948 
1 1 1 -12 29 1  o 106.4100 3.280541 559.4385       34.12833 477.7000       78.76025 578.3340       37.86816 95.77207 8.489450 108.0957 3.583939 -12.32360      9.214954 
1 1 1 -12 29 2  o 64.93752 3.466278 208.9370       21.95275 203.3000       62.02180 209.7444       23.47226 61.00680 10.78045 65.00700 3.704160 -4.000198      11.39908 
1 1 1 -12 29 3  o 25.62194 8.010998 33.81881       22.30430 -31.21000      55.44758 46.37265       24.36229 23.07161 10.62590 29.52341 8.158939 -6.451792      13.39694 
1 1 1 -12 29 4  o 29.92153 7.684396 47.60196       22.62209 57.84000       56.31311 45.63181       24.70300 34.33354 12.67904 29.29740 8.260051 5.036139       15.13230 
1 1 1 -12 29 5  o 16.46355 6.220181 10.22529       13.70960 6.608000       52.59595 10.48897       14.20050 26.33461 11.32084 16.71388 6.327002 9.620726       12.96890 
1 1 1 -12 29 6  o 46.05493 4.037111 105.9755       18.01537 86.23000       56.61105 108.2005       19.00328 39.31768 12.81453 46.49559 4.221488 -7.177917      13.49196 
1 1 1 -12 29 7  o 67.31267 3.768250 225.0585       24.72894 190.0000       60.82909 231.9997       27.06648 58.71065 10.98873 68.26348 4.069234 -9.552834      11.71797 
1 1 1 -12 29 8  o 18.50983 6.527728 15.51097       14.71672 28.90000       53.07932 14.39601       15.31723 29.31631 11.88275 18.29351 6.635314 11.02280       13.60982 
1 1 1 -12 29 9  o 109.6173 3.287849 594.1548       35.23756 497.9000       79.48720 617.6982       39.31150 97.60059 8.401992 111.6562 3.601631 -14.05559      9.141400 
1 1 1 -12 29 10 o 13.07825 5.605116 -0.1518789     12.82042 -19.83000      51.38860 1.154180       13.23904 23.04184 10.46613 13.61302 5.760063 9.428815       11.94647 
1 1 1 -12 29 11 o 76.49895 3.345950 289.8627       24.99363 193.9000       62.63394 308.0374       27.25788 58.92431 11.27002 78.80894 3.542600 -19.88463      11.81370 
1 1 1 -12 29 12 o 29.30109 5.443974 44.45153       15.03909 34.47000       53.38964 45.31179       15.67377 30.01671 12.00432 29.54204 5.625746 0.4746685      13.25717 
1 1 1 -12 29 13 o 34.63760 4.865579 61.12888       16.04220 11.57000       52.91214 66.14554       16.83457 26.76745 11.42743 36.04593 4.897926 -9.278484      12.43285 
1 1 1 -12 29 14 o 56.32280 3.912490 158.2886       21.43559 116.6000       57.50938 165.0148       23.10022 44.66273 12.60691 57.44880 4.135663 -12.78607      13.26792 
1 1 1 -12 29 15 o 30.53325 5.407661 48.22366       15.57032 37.45000       53.45700 49.22239       16.27602 30.33410 12.05122 30.79931 5.605280 -0.4652138     13.29101 
1 1 1 -12 29 16 o 31.21037 5.323180 50.30405       15.67919 22.73000       53.58685 52.88572       16.39676 28.19800 11.73683 31.98768 5.430844 -3.789686      12.93241 
1 1 1 -12 29 17 o 32.77636 5.613826 55.71635       17.36303 0.000000       0.000000 55.71635       17.36303 ?        ?        32.77636 5.613826 ?              ?        
1 1 1 -12 29 18 f 28.63456 6.377504 43.43626       17.41645 77.60000       57.34621 39.96487       18.27990 36.93256 12.89641 27.35888 6.843868 9.573685       14.59986 
1 1 1 -12 29 19 o 66.51653 3.923117 221.0598       25.42929 0.000000       0.000000 221.0598       25.42929 ?        ?        66.51653 3.923117 ?              ?        
1 1 1 -12 29 20 o 58.23779 4.726323 171.4745       26.71093 141.7000       60.58377 178.6588       29.75949 48.44910 12.64324 59.26445 5.182173 -10.81536      13.66406 
1 1 1 -12 29 21 o 45.12169 4.985518 103.9533       21.65245 149.0000       57.45263 96.49586       23.37611 49.98364 11.91248 43.19673 5.664991 6.786907       13.19088 
1 1 1 -12 29 22 o 66.16432 3.771245 219.0811       24.32274 217.4000       61.37913 219.3943       26.49150 61.61738 10.55637 66.07314 4.116595 -4.455753      11.33063 
1 1 1 -12 29 23 f 34.46807 8.044850 65.80431       26.64500 84.55000       55.03332 60.06463       30.45217 37.13291 12.64784 32.52600 9.171247 4.606911       15.62305 
1 1 1 -12 29 24 o 43.05259 6.667564 98.73965       27.19018 119.9000       55.84950 92.16617       31.12831 43.58087 12.46465 40.82756 8.075409 2.753304       14.85192 
1 1 1 -12 29 25 o 49.78493 4.551515 126.4427       21.93482 97.51000       55.32233 131.8395       23.89314 38.90972 12.66688 50.69552 4.875042 -11.78580      13.57262 
1 1 1 -12 29 26 o 98.56276 3.949157 489.0666       38.02274 379.5000       70.97417 533.1705       45.02974 82.21021 8.965092 102.4958 4.499318 -20.28558      10.03079 
1 1 1 -12 29 27 o 32.75165 6.745885 58.46269       20.90580 7.183000       50.86265 68.88705       22.93248 24.49944 10.81878 35.57821 6.833387 -11.07878      12.79614 
1 1 1 -12 29 28 o 44.55193 4.281029 101.3196       18.43948 84.21000       54.77817 103.5061       19.58230 35.89789 12.59931 44.93263 4.513481 -9.034737      13.38335 
1 1 1 -12 29 29 o 35.12170 12.52810 80.49000       54.34196 80.49000       54.34196 0.000000       0.000000 35.12170 12.52810 ?        ?        ?              ?        
1 1 1 -12 29 30 o 50.38648 7.474802 139.9702       35.74952 139.4000       54.53276 140.4000       47.34140 46.35204 11.94480 48.09337 10.36258 -1.741329      15.81333 
1 1 1 -12 29 31 o 33.02928 11.30608 69.00000       43.98660 0.000000       0.000000 69.00000       43.98660 ?        ?        33.02928 11.30608 ?              ?        
1 1 1 -12 29 32 o 28.56013 11.06000 46.41000       44.05574 0.000000       0.000000 46.41000       44.05574 ?        ?        28.56013 11.06000 ?              ?        
1 1 1 -12 29 33 o 19.47906 8.540377 2.960181       31.17424 -9.153000      46.19465 13.09000       42.24384 21.35374 9.784552 23.15956 10.05105 -1.805820      14.02716 
1 1 1 -12 29 34 o 64.23606 5.990431 219.9104       37.23120 164.9000       53.59927 271.2000       51.75488 50.81209 11.08893 69.58176 7.729133 -18.76968      13.51680 
1 1 1 -12 29 35 o 34.68406 9.266197 73.61967       32.05624 42.58000       47.50512 99.57000       43.43636 27.70886 11.23774 38.94923 10.94312 -11.24037      15.68563 
1 1 1 -12 29 36 o 23.51875 9.187588 28.20375       30.61005 33.52000       46.87047 24.25000       40.42046 26.10033 10.92852 24.05071 10.11450 2.049620       14.89079 
1 1 1 -12 29 37 o 22.40000 9.147212 21.98379       31.73229 -40.10000      49.58696 65.04000       41.29489 19.08913 9.163218 31.26783 10.94194 -12.17870      14.27203 
1 1 1 -12 29 38 o 19.88486 8.639916 7.571465       31.28984 40.80000       50.72367 -12.84000      39.75504 27.25609 11.38754 19.24711 8.911541 8.008978       14.46000 
1 1 1 -12 29 39 o 24.37919 9.373947 32.63070       31.48494 12.47000       50.80663 45.20000       40.11650 23.77403 10.63612 27.30873 10.55976 -3.534698      14.98785 
1 1 1 -12 29 40 o 25.79680 11.15500 29.91000       51.65242 29.91000       51.65242 0.000000       0.000000 25.79680 11.15500 ?        ?        ?              ?        
1 1 1 -12 29 41 o 21.56465 8.960002 18.61519       31.15124 18.28000       49.84597 18.83000       39.90347 24.16585 10.68900 22.93094 9.859216 1.234915       14.54163 
1 1 1 -12 29 42 o 38.67054 10.97856 102.1000       43.48515 0.000000       0.000000 102.1000       43.48515 ?        ?        38.67054 10.97856 ?              ?        
1 1 1 -12 29 43 o 20.68575 8.729102 15.02103       30.27034 -13.16000      47.19245 34.72000       39.45626 20.46799 9.555183 25.15361 10.22677 -4.685621      13.99601 
1 1 1 -12 29 44 o 24.61751 9.397422 34.93188       31.48985 20.29000       50.31483 44.36000       40.37479 24.24018 10.72968 26.82626 10.53044 -2.586075      15.03384 
1 1 1 -12 29 45 o 18.42870 8.237605 0.9852846      30.40582 -3.402000      49.43497 3.655000       38.56282 21.53194 9.958194 20.44680 9.197423 1.085136       13.55574 
1 1 1 -12 29 46 o 23.23066 9.164397 29.97710       30.71245 -6.046000      46.62404 57.59000       40.82023 20.67608 9.599952 28.77318 10.76243 -8.097103      14.42182 
1 1 1 -12 29 47 o 30.61424 9.474168 62.90583       31.28390 44.39000       46.44735 78.28000       42.32384 26.20193 10.91820 32.36152 11.08996 -6.159580      15.56259 
1 1 1 -12 30 1  o 39.43642 4.597122 78.56599       17.41318 121.7000       57.11522 74.14580       18.28364 45.88686 12.41682 38.18380 5.012847 7.703064       13.39052 
1 1 1 -12 30 2  o 76.93168 3.343846 293.1596       25.11998 211.9000       65.34024 307.2529       27.21127 61.66158 11.23979 78.70590 3.541188 -17.04432      11.78444 
1 1 1 -12 30 3  o 39.61150 4.506905 79.16986       17.16415 76.61000       57.50235 79.42025       17.98402 37.31777 12.92084 39.61510 4.731312 -2.297329      13.75984 
1 1 1 -12 30 4  o 43.30819 5.926055 96.33051       24.46310 128.6000       57.10464 89.07737       27.07313 47.22232 12.25089 41.26258 6.949810 5.959736       14.08490 
1 1 1 -12 30 5  o 46.43200 5.572606 109.9584       24.82144 85.40000       55.52372 116.0921       27.74856 38.83683 12.69303 47.54128 6.103624 -8.704449      14.08429 
1 1 1 -12 30 6  o 84.20610 3.763415 352.3253       30.94092 206.0000       64.63638 395.8224       35.24091 60.65623 11.30241 89.15843 4.048678 -28.50220      12.00568 
1 1 1 -12 30 7  o 18.16926 6.320035 15.29980       13.76507 -45.94000      51.56740 19.99813       14.28334 20.71519 9.770347 19.99531 6.430301 0.7198830      11.69651 
1 1 1 -12 30 8  o 53.97453 4.062306 145.6347       21.30437 180.3000       57.60134 140.1411       22.93042 56.93187 10.72990 52.82214 4.477092 4.109730       11.62648 
1 1 1 -12 30 9  o 39.26770 5.094326 78.56331       19.11964 83.84000       54.28037 77.81589       20.42892 38.38240 12.55045 38.94963 5.512263 -0.5672264     13.70762 
1 1 1 -12 30 10 f 52.73828 3.806487 138.7606       19.51752 13.43000       56.88747 155.4815       20.77873 27.67265 11.83232 55.83528 3.825035 -28.16263      12.43522 
1 1 1 -12 30 11 o 18.05625 6.331125 14.98928       13.82946 29.24000       52.58977 13.93060       14.33396 28.97725 11.79731 17.81841 6.424824 11.15885       13.43335 
1 1 1 -12 30 12 o 47.13012 4.307676 111.6531       19.65280 91.97000       55.63177 114.4598       21.00729 39.77802 12.68007 47.64909 4.559671 -7.871067      13.47497 
1 1 1 -12 30 13 o 63.43762 3.838540 200.7378       23.72369 217.5000       60.12717 197.6472       25.81831 62.78551 10.12832 62.82158 4.223216 -0.3606796E-01 10.97353 
1 1 1 -12 30 14 o 25.49504 6.054302 34.34332       14.88240 11.40000       52.68246 36.33303       15.51431 26.45012 11.34967 26.20972 6.153289 0.2404041      12.91039 
1 1 1 -12 30 15 o 27.51994 6.143062 40.03473       16.12816 0.000000       0.000000 40.03473       16.12816 ?        ?        27.51994 6.143062 ?              ?        
1 1 1 -12 30 16 o 28.49835 6.280122 43.02781       17.04521 0.000000       0.000000 43.02781       17.04521 ?        ?        28.49835 6.280122 ?              ?        
1 1 1 -12 30 17 o 28.88873 6.136604 44.14614       16.81635 2.706000       51.68296 49.05282       17.78407 25.05285 10.98994 30.47582 6.173532 -5.422968      12.60521 
1 1 1 -12 30 18 f 50.45115 4.237772 128.2593       20.73414 158.3000       56.72938 123.6276       22.27527 51.94554 11.46466 49.37647 4.664167 2.569065       12.37711 
1 1 1 -12 30 19 o 51.47455 4.321830 133.7872       21.57453 107.3000       57.50036 138.1271       23.27498 41.64827 12.83679 52.20250 4.602110 -10.55423      13.63681 
1 1 1 -12 30 20 o 76.33948 3.640137 291.2163       27.12190 184.6000       62.15408 316.2925       30.14317 55.49483 11.80546 79.45129 3.887786 -23.95646      12.42915 
1 1 1 -12 30 21 o 30.35151 7.416422 50.57669       21.84296 0.000000       0.000000 50.57669       21.84296 ?        ?        30.35151 7.416422 ?              ?        
1 1 1 -12 30 22 f 27.05176 8.805387 40.30733       26.73411 46.84000       53.47026 38.13000       30.86949 30.40785 12.06167 26.75416 9.452443 3.653698       15.32425 
1 1 1 -12 30 23 o 36.67655 7.700703 74.59413       26.76378 35.19000       53.45327 87.77760       30.91849 28.50767 11.78105 39.54447 8.254839 -11.03680      14.38526 
1 1 1 -12 30 24 o 59.10025 5.100722 179.9109       29.21867 184.9000       58.78120 178.2736       33.67340 55.04627 11.28867 58.29220 5.986597 -3.245926      12.77785 
1 1 1 -12 30 25 o 63.33551 6.304270 212.1106       38.56461 153.3000       57.73121 259.5000       51.82309 49.01780 12.10514 68.77565 7.837790 -19.75785      14.42101 
1 1 1 -12 30 26 o 68.39323 6.007035 246.0811       39.80610 208.9000       60.35818 274.7000       52.95432 58.60177 10.92430 70.68201 7.782610 -12.08024      13.41303 
1 1 1 -12 30 27 o 45.77962 4.383149 107.2656       19.40145 71.66000       53.05408 112.7622       20.84527 33.57314 12.32237 46.84269 4.605814 -13.26955      13.15501 
1 1 1 -12 30 28 o 35.42097 12.27902 82.67000       51.93855 82.67000       51.93855 0.000000       0.000000 35.42097 12.27902 ?        ?        ?              ?        
1 1 1 -12 30 29 o 23.26785 9.288584 23.54285       31.90748 -29.08000      48.48592 63.74000       42.37659 20.21478 9.515703 31.99837 11.09135 -11.78359      14.61392 
1 1 1 -12 30 30 o 63.71015 8.397813 230.8000       51.09581 0.000000       0.000000 230.8000       51.09581 ?        ?        63.71015 8.397813 ?              ?        
1 1 1 -12 30 31 o 37.04935 9.224782 82.41493       33.32415 36.43000       51.11856 116.4000       43.94555 27.47836 11.45238 43.09214 10.51338 -15.61378      15.54632 
1 1 1 -12 30 32 o 27.89973 9.457426 46.35092       30.76666 20.70000       46.79642 65.88000       40.83213 24.73939 10.65724 32.03578 10.89473 -7.296394      15.24047 
1 1 1 -12 30 33 o 36.20432 9.108850 79.33698       32.24751 40.73000       47.99865 111.1000       43.53685 27.52663 11.24647 41.61380 10.64631 -14.08717      15.48634 
1 1 1 -12 30 34 o 32.76070 9.338476 66.44842       31.39981 56.96000       47.80148 73.65000       41.64456 29.83480 11.52951 33.26255 10.99896 -3.427753      15.93445 
1 1 1 -12 30 35 o 37.90876 9.031340 87.68965       33.03222 76.96000       50.48784 95.72000       43.67786 33.03117 12.03692 37.64270 11.09909 -4.611530      16.37307 
1 1 1 -12 30 36 o 12.89604 6.380791 -56.92784      29.83592 27.80000       46.45850 -116.4000      38.92324 25.07353 10.70617 12.57774 6.367011 12.49578       12.45636 
1 1 1 -12 30 37 o 20.18954 8.684155 10.04245       30.98305 73.30000       49.33664 -31.15000      39.81276 32.29429 11.87781 17.57692 8.375332 14.71737       14.53370 
1 1 1 -12 30 38 o 17.41550 7.959988 -8.049735      30.31946 -39.26000      50.09586 9.991000       38.08731 19.12584 9.188456 21.45195 9.421588 -2.326115      13.16032 
1 1 1 -12 30 39 o 25.58194 11.07940 29.39000       51.11457 29.39000       51.11457 0.000000       0.000000 25.58194 11.07940 ?        ?        ?              ?        
1 1 1 -12 30 40 o 39.27731 8.808928 94.22424       33.02971 93.01000       51.91470 95.05000       42.81239 35.28173 12.27363 37.20081 10.99374 -1.919079      16.47739 
1 1 1 -12 30 41 o 27.68794 10.71522 48.42000       41.33154 0.000000       0.000000 48.42000       41.33154 ?        ?        27.68794 10.71522 ?              ?        
1 1 1 -12 30 42 o 33.08348 9.496302 70.55605       32.36059 81.83000       50.51670 62.71000       42.14269 33.08129 12.04259 30.17085 10.99682 2.910446       16.30810 
1 1 1 -12 30 43 o 26.99333 9.578028 45.87395       31.72375 41.90000       51.13827 48.36000       40.44728 26.86699 11.34207 27.48075 10.60939 -0.6137562     15.53067 
1 1 1 -12 30 44 o 21.37596 8.902703 19.52875       30.85898 55.04000       49.99749 -2.324000      39.22097 28.36094 11.51901 19.83695 9.061665 8.523989       14.65610 
1 1 1 -12 30 45 o 22.11420 8.962721 24.85177       30.19441 36.58000       46.03988 16.00000       39.99750 25.32245 10.72931 21.98681 9.655777 3.335644       14.43441 
1 1 1 -12 30 46 o 22.75315 9.049323 29.06347       30.17393 34.19000       46.02808 25.20000       39.95767 24.71440 10.60685 23.00756 9.878639 1.706841       14.49458 
1 1 1 -12 31 1  o 106.7201 3.337799 564.2330       34.82397 502.1000       80.03755 578.7420       38.67678 97.51443 8.469209 107.9507 3.665635 -10.43625      9.228455 
1 1 1 -12 31 2  o 64.08714 3.549033 204.1798       22.17624 185.3000       62.36837 206.9122       23.72678 57.05395 11.56437 64.44972 3.777634 -7.395771      12.16574 
1 1 1 -12 31 3  o 78.92297 3.334224 308.8330       25.69952 279.2000       66.47028 314.0412       27.86658 71.69542 9.722016 79.50549 3.590065 -7.810074      10.36369 
1 1 1 -12 31 4  o 58.06063 3.633353 167.8390       20.54533 139.0000       58.19795 171.9448       21.95919 48.82515 12.21024 58.71064 3.842257 -9.885490      12.80050 
1 1 1 -12 31 5  o 21.66545 8.070644 20.05746       22.90786 -3.392000      51.80656 25.75673       25.54041 24.65492 10.90164 23.62726 8.568376 1.027655       13.86589 
1 1 1 -12 31 6  o 68.12994 4.475921 232.8658       29.68346 199.1000       60.93616 243.3708       33.98872 59.59113 10.84635 69.43374 5.035226 -9.842613      11.95813 
1 1 1 -12 31 7  o 24.15735 6.308451 30.84858       15.07601 64.63000       52.67064 27.83392       15.73433 34.55403 12.33302 23.01979 6.626113 11.53424       14.00031 
1 1 1 -12 31 8  o 11.88273 5.373248 -6.616176      13.36250 -27.23000      52.42867 -5.184102      13.81886 22.34485 10.30607 12.40711 5.549148 9.937737       11.70505 
1 1 1 -12 31 9  o 29.37456 6.435300 45.71735       17.99041 71.76000       54.38116 42.51692       19.06382 35.79989 12.55444 28.19651 6.951970 7.603378       14.35075 
1 1 1 -12 31 10 o 21.36820 6.795671 23.33851       15.98643 -31.66000      52.55255 28.94689       16.78174 21.93538 10.18718 23.44146 6.871227 -1.506081      12.28789 
1 1 1 -12 31 11 o 22.64657 6.780948 26.86125       16.20365 156.5000       55.64487 14.84989       16.93768 52.17541 11.22861 18.74590 6.947958 33.42951       13.20439 
1 1 1 -12 31 12 o 36.95104 4.748715 69.60221       16.77890 1.505000       53.24683 77.10957       17.67961 25.28946 11.12233 38.92403 4.737808 -13.63456      12.08937 
1 1 1 -12 31 13 o 78.96962 3.368139 309.8881       25.97513 221.9000       63.17202 327.7910       28.49545 62.65191 10.68403 81.13731 3.596909 -18.48540      11.27325 
1 1 1 -12 31 14 o 24.80580 6.472614 32.83747       15.87922 0.000000       0.000000 32.83747       15.87922 ?        ?        24.80580 6.472614 ?              ?        
1 1 1 -12 31 15 o 22.11249 6.818194 25.60688       16.21976 0.000000       0.000000 25.60688       16.21976 ?        ?        22.11249 6.818194 ?              ?        
1 1 1 -12 31 16 o 53.02660 4.003750 141.3688       20.62750 142.8000       54.47771 141.1292       22.28690 48.96457 11.55422 52.85748 4.345970 -3.892910      12.34453 
1 1 1 -12 31 17 o 57.00582 3.962727 163.3502       21.97392 82.13000       53.40075 179.9061       24.10970 36.79524 12.45977 59.76377 4.147151 -22.96854      13.13182 
1 1 1 -12 31 18 o 68.45529 3.625266 234.5105       24.20482 197.5000       57.77029 242.3909       26.65748 58.34849 10.50117 69.46307 3.936773 -11.11457      11.21484 
1 1 1 -12 31 19 o 30.39326 6.729270 50.07012       19.49043 75.88000       50.23693 45.49682       21.14682 35.27952 12.08251 28.72206 7.457005 6.557457       14.19838 
1 1 1 -12 31 20 o 55.34151 6.996223 164.0655       37.05295 64.81000       56.34369 239.7000       49.18447 33.18077 12.59311 66.43932 7.705791 -33.25855      14.76366 
1 1 1 -12 31 21 o 28.05069 7.259305 43.57478       20.08369 31.80000       51.05703 45.73021       21.84470 27.67775 11.48293 28.61172 7.651630 -0.9339695     13.79873 
1 1 1 -12 31 22 f 32.38757 6.619176 56.98953       20.27470 129.1000       51.95346 44.03468       22.02072 45.32507 11.64790 28.03043 7.761014 17.29464       13.99668 
1 1 1 -12 31 23 o 55.60698 6.196657 163.6675       33.15578 0.000000       0.000000 163.6675       33.15578 ?        ?        55.60698 6.196657 ?              ?        
1 1 1 -12 31 24 o 26.81246 9.577514 39.77998       31.77035 -11.73000      52.28022 69.94000       40.00438 22.63460 10.38545 33.65791 10.75517 -11.02331      14.95096 
1 1 1 -12 31 25 o 47.34961 5.406722 117.2852       24.60997 5.566000       52.77506 148.3295       27.81992 24.37442 10.87692 53.30570 5.406523 -28.93129      12.14652 
1 1 1 -12 31 26 o 53.97028 5.500002 152.5923       28.64959 73.80000       53.24509 184.7000       33.98931 33.72145 12.34981 59.09619 5.957147 -25.37474      13.71151 
1 1 1 -12 31 27 o 34.84857 7.290814 67.82715       24.06924 30.20000       49.54495 79.45068       27.53707 26.71036 11.21338 37.50321 7.757548 -10.79285      13.63523 
1 1 1 -12 31 28 o 32.09127 9.746581 62.79623       33.30541 28.61000       49.93037 90.20000       44.70378 26.40810 11.18066 37.24343 11.28786 -10.83533      15.88783 
1 1 1 -12 31 29 o 59.80568 9.024354 208.9000       51.18540 0.000000       0.000000 208.9000       51.18540 ?        ?        59.80568 9.024354 ?              ?        
1 1 1 -12 31 30 o 43.19411 8.253632 107.8181       33.62417 31.19000       49.21441 174.9000       46.04698 26.39209 11.13334 54.59976 8.923956 -28.20767      14.26844 
1 1 1 -12 31 31 o 67.21195 5.867019 240.4282       38.21197 180.9000       56.08546 292.0000       52.20295 53.03408 11.15812 72.36860 7.477055 -19.33451      13.43168 
1 1 1 -12 31 32 o 32.93736 9.433882 67.32461       31.96988 44.42000       48.62083 84.77000       42.43276 27.92196 11.35243 35.64191 11.03461 -7.719950      15.83162 
1 1 1 -12 31 33 o 20.91211 8.806919 14.54554       30.71325 32.79000       47.70765 1.632000       40.13701 25.96826 10.95844 20.92177 9.399479 5.046484       14.43737 
1 1 1 -12 31 34 o 16.34985 7.637336 -17.33924      30.22427 -53.27000      48.39235 5.641000       38.70087 17.92422 8.711786 21.07713 9.365504 -3.152910      12.79093 
1 1 1 -12 31 35 o 26.49682 9.592594 42.44132       31.99341 -8.690000      50.48371 76.76000       41.35928 21.62867 10.02398 33.56839 10.95397 -11.93972      14.84822 
1 1 1 -12 31 36 o 13.97103 6.802667 -41.77623      29.87203 -89.44000      48.39583 -12.44000      37.96785 15.95117 7.932505 18.83561 8.716781 -2.884436      11.78588 
1 1 1 -12 31 37 o 25.46686 9.537841 38.18946       32.08037 -3.534000      51.29081 65.00000       41.11518 22.12147 10.19966 30.94655 10.91108 -8.825081      14.93602 
1 1 1 -12 31 38 o 20.62634 9.679630 -16.75000      49.50049 -16.75000      49.50049 0.000000       0.000000 20.62634 9.679630 ?        ?        ?              ?        
1 1 1 -12 31 39 o 37.29802 9.140701 86.90656       33.10664 65.57000       52.05383 101.4000       42.90188 30.46141 11.95704 38.49743 10.89634 -8.036022      16.17717 
1 1 1 -12 31 40 o 22.75661 9.786803 19.14000       39.33884 0.000000       0.000000 19.14000       39.33884 ?        ?        22.75661 9.786803 ?              ?        
1 1 1 -12 31 41 o 22.74743 9.138243 26.18340       31.08419 53.26000       49.14734 8.131000       40.13011 28.33713 11.45283 21.33087 9.503966 7.006260       14.88263 
1 1 1 -12 31 42 o 44.00986 8.210625 115.8654       34.06911 110.3000       53.76292 119.6000       44.04050 37.64111 12.49903 41.97045 10.69186 -4.329342      16.44815 
1 1 1 -12 31 43 o 22.58414 9.125958 26.24659       31.19893 -36.89000      48.48911 70.85000       40.75563 18.61045 8.966085 31.49785 10.87916 -12.88740      14.09776 
1 1 1 -12 31 44 o 27.71727 9.442846 50.74939       30.67624 56.23000       46.73294 46.60000       40.66314 28.10990 11.23465 26.55279 10.52294 1.557114       15.39317 
1 1 1 -12 31 45 f 21.54104 8.844094 23.08257       29.86559 10.62000       45.01712 32.88000       39.91441 21.76565 9.850324 24.08555 10.08497 -2.319897      14.09736 
1 1 1 -12 32 1  o 64.42272 3.601271 206.7803       22.61877 203.4000       63.39754 207.2734       24.21218 59.60342 11.27962 64.41611 3.857692 -4.812683      11.92105 
1 1 1 -12 32 2  o 21.88740 6.746254 24.85714       15.88108 39.84000       56.16977 23.55537       16.55662 30.66661 12.29633 21.49494 6.924105 9.171667       14.11180 
1 1 1 -12 32 3  o 18.41328 6.597854 15.30389       15.08950 105.6000       54.61657 7.841918       15.70062 42.07193 12.41300 16.33970 6.518085 25.73223       14.02027 
1 1 1 -12 32 4  f 54.88844 3.771532 150.5702       20.13989 185.5000       59.76139 146.0948       21.39122 56.93206 11.12305 53.96783 4.079648 2.964222       11.84761 
1 1 1 -12 32 5  o 41.16139 4.507054 85.83238       17.86234 146.3000       55.12587 78.73884       18.88102 50.14676 11.47911 39.23975 5.031416 10.90701       12.53336 
1 1 1 -12 32 6  o 15.17832 6.926157 -12.24366      22.83402 -18.26000      51.60469 -10.77896      25.46228 22.85801 10.42353 16.37225 7.408943 6.485760       12.78837 
1 1 1 -12 32 7  o 41.01130 6.737915 88.67244       26.10951 -9.194000      55.04450 117.0842       29.65828 24.46333 10.99764 47.31537 6.581733 -22.85204      12.81668 
1 1 1 -12 32 8  o 44.67459 4.256777 100.6848       18.38961 113.5000       57.33239 99.21516       19.41547 43.23602 12.70766 44.25233 4.546969 -1.016312      13.49665 
1 1 1 -12 32 9  o 43.12632 4.932118 94.91177       20.44606 87.83000       55.04669 96.04515       22.02147 38.31768 12.64452 43.24729 5.313688 -4.929604      13.71565 
1 1 1 -12 32 10 o 19.29628 7.063231 16.52966       17.41325 -32.10000      51.45267 22.82000       18.50523 21.43014 9.995336 21.44580 7.333506 -0.1566505E-01 12.39706 
1 1 1 -12 32 11 o 41.04573 5.039421 86.40351       19.82234 61.47000       52.40622 90.56627       21.41322 33.28090 12.24156 41.92231 5.339305 -8.641411      13.35530 
1 1 1 -12 32 12 o 44.01412 4.317961 98.10764       18.36359 100.9000       54.62486 97.75185       19.49842 40.48468 12.51755 43.83063 4.613931 -3.345943      13.34081 
1 1 1 -12 32 13 o 43.59168 4.635773 96.83408       19.47725 0.000000       0.000000 96.83408       19.47725 ?        ?        43.59168 4.635773 ?              ?        
1 1 1 -12 32 14 o 62.29402 5.109358 198.4744       30.88083 130.0000       56.83041 227.1638       36.78553 45.65883 12.39882 66.31587 5.722942 -20.65704      13.65587 
1 1 1 -12 32 15 o 54.16099 3.991509 147.8507       21.01203 109.0000       53.63841 154.8933       22.83723 41.66835 12.30328 55.33722 4.248686 -13.66887      13.01622 
1 1 1 -12 32 16 o 15.47054 6.464860 4.102999       16.35305 -67.32000      48.14408 13.41817       17.38678 17.78619 8.654857 18.24016 6.977952 -0.4539700     11.11748 
1 1 1 -12 32 17 o 60.73459 3.868024 185.8092       22.87541 192.3000       55.08162 184.4564       25.14653 57.37269 10.18119 60.31804 4.287108 -2.945351      11.04698 
1 1 1 -12 32 18 o 22.33119 9.150309 17.03203       31.88883 -26.69000      47.23078 53.66000       43.22962 20.42293 9.542335 30.53966 11.13675 -10.11673      14.66572 
1 1 1 -12 32 19 o 41.34007 5.367055 89.20895       21.20553 46.66000       49.26960 98.88282       23.49280 29.60337 11.62907 43.40580 5.664446 -13.80243      12.93527 
1 1 1 -12 32 20 o 68.24669 4.269381 236.5041       28.37734 0.000000       0.000000 236.5041       28.37734 ?        ?        68.24669 4.269381 ?              ?        
1 1 1 -12 32 21 o 77.86525 3.654207 304.9633       27.77345 197.3000       59.70417 334.6952       31.37486 56.59576 11.17415 81.39711 3.949707 -24.80135      11.85166 
1 1 1 -12 32 22 o 34.44090 6.432106 64.35851       20.88651 45.45000       49.38776 68.47691       23.04916 29.08844 11.57463 35.29646 6.918867 -6.208019      13.48491 
1 1 1 -12 32 23 o 69.22598 4.627392 245.6320       31.17529 213.1000       58.32986 258.6408       36.88552 59.42978 10.40618 70.48657 5.386991 -11.05679      11.71786 
1 1 1 -12 32 24 o 27.55056 7.271888 42.65755       19.89379 -19.42000      48.93774 54.94682       21.77408 21.12808 9.818506 31.31899 7.246603 -10.19092      12.20313 
1 1 1 -12 32 25 o 53.59251 7.011916 156.9000       35.90162 0.000000       0.000000 156.9000       35.90162 ?        ?        53.59251 7.011916 ?              ?        
1 1 1 -12 32 26 o 40.56734 5.551708 87.20232       21.46724 85.55000       50.65234 87.56409       23.70110 35.59937 12.13382 40.28287 6.210261 -4.683495      13.63074 
1 1 1 -12 32 27 o 31.85206 6.116088 55.24258       18.37551 0.000000       0.000000 55.24258       18.37551 ?        ?        31.85206 6.116088 ?              ?        
1 1 1 -12 32 28 o 46.86438 10.47963 138.1000       46.86491 0.000000       0.000000 138.1000       46.86491 ?        ?        46.86438 10.47963 ?              ?        
1 1 1 -12 32 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -12 32 30 o 20.09430 8.617139 9.497433       30.33416 12.79000       46.94352 7.137000       39.74697 23.52883 10.39174 21.64607 9.561056 1.882757       14.12098 
1 1 1 -12 32 31 o 38.00650 8.902415 87.80588       32.53403 74.51000       50.76979 97.07000       42.37883 32.51109 12.03291 38.13102 10.84222 -5.619930      16.19706 
1 1 1 -12 32 32 o 21.04929 8.851542 15.33366       30.95248 -16.52000      49.76566 35.43000       39.52834 20.87757 9.767893 25.58185 10.29520 -4.704279      14.19165 
1 1 1 -12 32 33 o 20.76163 8.822551 13.70949       31.28442 -40.98000      50.39499 48.00000       39.90455 19.06372 9.173309 27.70559 10.57815 -8.641861      14.00167 
1 1 1 -12 32 34 o 24.23105 9.355918 32.17060       31.45716 44.44000       50.65779 24.47000       40.13257 27.58474 11.44058 23.82009 10.05134 3.764650       15.22879 
1 1 1 -12 32 35 o 22.07848 9.038668 21.81131       31.08047 16.30000       50.09731 25.26000       39.62911 23.89701 10.63484 23.76374 10.00564 0.1332626      14.60180 
1 1 1 -12 32 36 o 23.22733 10.47652 9.814000       50.42273 9.814000       50.42273 0.000000       0.000000 23.22733 10.47652 ?        ?        ?              ?        
1 1 1 -12 32 37 o 27.58912 9.632302 48.08514       31.99026 81.19000       50.76495 26.28000       41.20004 33.07944 12.06756 24.02249 10.16278 9.056955       15.77682 
1 1 1 -12 32 38 o 23.09040 9.854664 21.59000       39.32858 0.000000       0.000000 21.59000       39.32858 ?        ?        23.09040 9.854664 ?              ?        
1 1 1 -12 32 39 o 24.31149 9.344825 33.94843       31.28243 16.95000       49.24298 45.45000       40.50592 23.62912 10.52793 26.89962 10.55103 -3.270500      14.90509 
1 1 1 -12 32 40 o 18.06662 8.133000 -1.472357      30.21897 -23.16000      47.59029 13.18000       39.11703 19.57304 9.277567 21.75690 9.552044 -2.183855      13.31596 
1 1 1 -12 32 41 o 20.83196 8.812583 16.33087       30.97730 -49.70000      49.11786 59.94000       39.91669 17.94753 8.735305 29.42039 10.70559 -11.47286      13.81721 
1 1 1 -12 32 42 o 15.57833 7.363087 -20.14557      29.57360 -2.143000      47.34990 -31.66000      37.86806 21.09226 9.751703 16.68556 8.008958 4.406706       12.61900 
1 1 1 -12 32 43 o 22.80056 9.026446 29.30084       29.89063 38.61000       44.93103 21.91000       40.03484 25.28961 10.65136 22.58720 9.793788 2.702404       14.46961 
1 1 1 -12 32 44 o 22.48225 8.973721 28.19813       29.77680 36.88000       44.43210 21.12000       40.11893 24.88306 10.54159 22.38257 9.753448 2.500494       14.36158 
1 1 1 -12 33 1  o 45.80109 4.420701 106.3030       19.57261 20.84000       56.30280 118.0506       20.87453 27.72273 11.81010 48.26819 4.468978 -20.54546      12.62736 
1 1 1 -12 33 2  o 57.19746 3.780771 163.9203       21.04848 218.4000       60.15523 156.3197       22.46882 61.97815 10.27553 55.71776 4.149636 6.260391       11.08179 
1 1 1 -12 33 3  o 37.76530 4.847146 73.10720       17.50520 64.64000       54.08436 74.09801       18.50107 33.83189 12.43740 37.93015 5.113296 -4.098263      13.44748 
1 1 1 -12 33 4  f 39.26410 4.760228 78.83685       17.92169 108.1000       54.47865 75.28571       18.97798 41.90445 12.40604 38.19748 5.211638 3.706970       13.45626 
1 1 1 -12 33 5  o 24.10730 6.644463 31.18003       16.18146 -72.70000      51.77882 42.42334       17.03465 18.51355 9.001245 28.15545 6.334762 -9.641907      11.00689 
1 1 1 -12 33 6  o 17.45676 6.598529 12.32196       15.43230 -64.69000      51.57748 19.89431       16.17322 18.94286 9.156079 20.06314 6.855996 -1.120285      11.43846 
1 1 1 -12 33 7  o 46.49114 6.234305 113.3423       27.65591 125.4000       56.01118 109.4550       31.80303 44.99749 12.34612 45.04548 7.474808 -0.4798508E-01 14.43258 
1 1 1 -12 33 8  o 24.57695 9.538257 26.36196       32.82064 37.09000       51.16263 18.86000       42.78388 28.97606 11.69449 25.03502 10.45890 3.941044       15.68915 
1 1 1 -12 33 9  o 42.94822 5.031811 94.85235       20.75258 164.1000       53.83955 82.76866       22.49047 52.83499 10.77612 39.69592 5.973175 13.13907       12.32086 
1 1 1 -12 33 10 o 26.65267 6.386090 38.32144       16.44193 -13.81000      49.66884 44.73712       17.42431 22.39220 10.21688 28.84408 6.344340 -6.451887      12.02644 
1 1 1 -12 33 11 o 54.27082 4.763165 150.3752       25.04640 0.000000       0.000000 150.3752       25.04640 ?        ?        54.27082 4.763165 ?              ?        
1 1 1 -12 33 12 o 54.45024 4.209513 150.1471       22.26151 0.000000       0.000000 150.1471       22.26151 ?        ?        54.45024 4.209513 ?              ?        
1 1 1 -12 33 13 o 20.67461 6.711546 22.27930       15.53721 -8.260000      47.86749 25.87575       16.42662 22.37985 10.13993 22.02855 6.873000 0.3512993      12.24975 
1 1 1 -12 33 14 o 29.46880 6.353131 47.02824       17.78540 29.35000       49.29939 49.67332       19.06960 27.07298 11.26214 30.19023 6.634534 -3.117247      13.07107 
1 1 1 -12 33 15 o 51.21548 4.259524 133.4191       21.16036 81.93000       51.99973 143.6375       23.16511 35.78357 12.29146 53.03591 4.504879 -17.25234      13.09098 
1 1 1 -12 33 16 o 28.67214 8.598463 46.93441       26.03879 50.82000       46.62135 45.17283       31.39119 30.06705 11.44487 28.19435 9.552969 1.872700       14.90786 
1 1 1 -12 33 17 o 27.41121 7.085198 41.69876       19.14756 38.41000       46.99482 42.35339       20.96681 27.95329 11.23388 27.48484 7.558696 0.4684429      13.54008 
1 1 1 -12 33 18 o 21.45229 7.498373 23.61374       19.38943 37.64000       46.12122 20.60258       21.36957 27.65179 11.12331 20.90854 7.793730 6.743256       13.58198 
1 1 1 -12 33 19 o 66.43161 3.950633 223.4617       25.57300 188.0000       54.57963 233.4366       28.94708 55.82163 10.37066 67.63636 4.396205 -11.81473      11.26398 
1 1 1 -12 33 20 o 18.86986 7.442092 13.76892       20.24851 71.35000       44.91028 -0.9226605     22.68507 33.51954 11.42537 16.55544 7.271112 16.96410       13.54283 
1 1 1 -12 33 21 o 52.19650 4.475870 139.8104       22.64729 141.4000       51.71060 139.4331       25.19183 47.06384 11.35631 51.81575 5.030189 -4.751911      12.42049 
1 1 1 -12 33 22 o 38.65455 5.662470 79.36199       20.78941 52.24000       48.33454 85.51847       23.02836 29.84447 11.57716 39.91855 6.085816 -10.07408      13.07929 
1 1 1 -12 33 23 o 36.72836 8.980934 80.03057       32.01357 69.13000       49.73890 87.74000       41.82949 32.65738 11.94008 37.05905 10.84414 -4.401676      16.12950 
1 1 1 -12 33 24 o 15.35370 7.180765 -18.76027      26.85294 22.65000       47.56750 -38.13000      32.53255 25.18609 10.79553 15.26441 7.351532 9.921686       13.06095 
1 1 1 -12 33 25 o 63.16770 4.423948 204.9181       27.18047 177.0000       56.05146 213.5013       31.07907 52.50153 11.24580 64.07539 4.994739 -11.57385      12.30510 
1 1 1 -12 33 26 o 18.79527 7.114277 16.13512       17.95340 0.000000       0.000000 16.13512       17.95340 ?        ?        18.79527 7.114277 ?              ?        
1 1 1 -12 33 27 o 52.79902 9.448112 167.9000       47.03605 0.000000       0.000000 167.9000       47.03605 ?        ?        52.79902 9.448112 ?              ?        
1 1 1 -12 33 28 o 36.78017 11.97281 95.30000       49.42618 95.30000       49.42618 0.000000       0.000000 36.78017 11.97281 ?        ?        ?              ?        
1 1 1 -12 33 29 o 20.66300 8.706198 13.95439       30.03782 16.58000       44.08937 11.68000       41.03471 23.38306 10.20644 22.29241 9.785386 1.090652       14.13949 
1 1 1 -12 33 30 o 21.44752 8.876117 18.31634       30.40207 -37.20000      46.36811 60.18000       40.26500 18.55742 8.895543 30.17639 10.78182 -11.61897      13.97778 
1 1 1 -12 33 31 o 30.81195 9.657588 60.88386       32.39498 63.67000       50.92447 58.99000       41.98550 30.34884 11.85195 29.73367 10.95360 0.6151752      16.13846 
1 1 1 -12 33 32 o 30.70867 9.656125 60.43156       32.35949 89.02000       52.12097 42.50000       41.27872 34.59586 12.27681 26.73735 10.60031 7.858513       16.21995 
1 1 1 -12 33 33 o 39.56543 8.801731 95.62910       33.20730 115.8000       53.22094 82.77000       42.49377 39.37090 12.38399 34.50570 11.09070 4.865196       16.62428 
1 1 1 -12 33 34 o 20.77617 8.791246 14.84240       30.84062 -3.337000      50.14864 25.90000       39.11107 21.87152 10.08479 23.74524 9.965391 -1.873728      14.17787 
1 1 1 -12 33 35 o 23.99343 10.67946 17.96000       50.53937 17.96000       50.53937 0.000000       0.000000 23.99343 10.67946 ?        ?        ?              ?        
1 1 1 -12 33 36 o 19.43088 8.470015 7.480963       30.27657 -2.225000      47.33755 14.20000       39.38583 21.45086 9.857049 22.03560 9.631892 -0.5847454     13.78168 
1 1 1 -12 33 37 o 27.51538 10.65625 48.62000       40.90029 0.000000       0.000000 48.62000       40.90029 ?        ?        27.51538 10.65625 ?              ?        
1 1 1 -12 33 38 o 25.10421 9.362029 38.09705       30.84211 52.11000       48.11024 28.32000       40.18615 28.00585 11.32689 23.98638 10.08615 4.019466       15.16670 
1 1 1 -12 33 39 o 39.47294 8.723856 96.27036       32.80825 91.01000       52.36314 99.67000       42.09535 34.17547 12.28527 37.83857 10.82125 -3.663097      16.37154 
1 1 1 -12 33 40 o 29.60616 9.592439 58.16879       31.74730 88.91000       51.05626 38.79000       40.53701 33.58163 12.12334 25.42630 10.35536 8.155331       15.94393 
1 1 1 -12 33 41 o 22.47934 9.013337 27.17315       30.17969 32.46000       46.55154 23.34000       39.63819 24.67679 10.62979 22.83478 9.822241 1.842005       14.47304 
1 1 1 -12 33 42 f 12.38675 6.139588 -52.49732      28.07503 -58.62000      41.90285 -47.51000      37.81869 15.63222 7.702118 15.36849 7.520042 0.2637281      10.76446 
1 1 1 -12 33 43 f 30.31158 9.480494 63.16698       31.23483 38.83000       45.72989 84.45000       42.76450 24.96087 10.63889 33.00130 11.15020 -8.040428      15.41146 
1 1 1 -12 34 1  o 43.02628 4.625334 94.70995       19.17420 176.3000       55.30146 83.56130       20.44227 54.57024 10.73580 40.09819 5.341031 14.47206       11.99100 
1 1 1 -12 34 2  o 15.88962 6.467547 6.616437       15.80141 2.781000       50.35504 7.035367       16.64201 24.16076 10.71222 16.29415 6.635427 7.866606       12.60081 
1 1 1 -12 34 3  f 25.19656 6.706216 34.53584       16.82999 26.26000       50.77113 35.55749       17.83859 27.09237 11.36107 25.51664 6.953825 1.575726       13.32027 
1 1 1 -12 34 4  o 23.03270 6.826506 28.59614       16.48778 -39.84000      50.45366 36.77838       17.44560 20.19723 9.567301 25.96187 6.789298 -5.764643      11.73149 
1 1 1 -12 34 5  o 62.93918 3.758043 199.1251       23.04660 132.1000       57.77230 211.8100       25.13301 45.31859 12.57957 64.81643 3.980643 -19.49784      13.19436 
1 1 1 -12 34 6  o 28.68579 6.307682 44.44566       17.22794 50.79000       51.71743 43.65378       18.27150 30.65461 11.95177 28.28641 6.702512 2.368195       13.70286 
1 1 1 -12 34 7  o 35.60122 5.790624 67.00579       19.48603 104.1000       52.70771 61.13317       20.97186 40.25204 12.26847 33.61192 6.610032 6.640129       13.93585 
1 1 1 -12 34 8  o 31.14496 8.598737 55.55601       27.07414 145.5000       53.53559 24.64735       31.38316 48.43888 11.46968 23.68499 9.288060 24.75389       14.75878 
1 1 1 -12 34 9  o 37.04924 7.914353 76.93254       27.82930 117.5000       53.60921 61.96773       32.56013 42.62115 12.21909 32.42698 9.588628 10.19418       15.53216 
1 1 1 -12 34 10 o 17.53684 6.807637 11.88306       16.72174 0.000000       0.000000 11.88306       16.72174 ?        ?        17.53684 6.807637 ?              ?        
1 1 1 -12 34 11 o 33.09521 5.583396 57.97512       17.44421 9.107000       49.87990 64.78491       18.62001 24.46212 10.76147 35.00595 5.624633 -10.54383      12.14272 
1 1 1 -12 34 12 o 34.18748 6.125871 62.68351       19.74645 71.95000       49.04466 60.89076       21.57219 33.85845 11.91864 33.34726 6.838591 0.5111847      13.74119 
1 1 1 -12 34 13 o 27.41285 6.593588 41.25186       17.47515 14.95000       47.64330 45.34046       18.78436 24.71114 10.69943 28.68031 6.795979 -3.969170      12.67530 
1 1 1 -12 34 14 o 37.97549 7.725373 80.85248       27.73778 3.409000       49.38594 116.5402       33.52514 23.59894 10.52697 45.75215 7.763256 -22.15321      13.07996 
1 1 1 -12 34 15 o 15.16594 6.548824 0.9051298      17.75297 -33.49000      45.20700 7.176589       19.30374 19.17207 9.074143 17.06209 7.068069 2.109976       11.50207 
1 1 1 -12 34 16 o 46.97213 4.766452 113.9601       21.61191 63.26000       48.39578 126.5893       24.15412 31.90617 11.75903 49.36265 5.071077 -17.45648      12.80588 
1 1 1 -12 34 17 o 60.14065 5.092570 187.6120       29.69704 150.9000       51.39340 206.0146       36.38666 49.15826 10.96044 62.34467 6.038115 -13.18641      12.51360 
1 1 1 -12 34 18 o 46.69748 4.866204 113.1008       21.91688 57.03000       46.94164 128.7310       24.78410 30.60015 11.52112 49.67112 5.173288 -19.07096      12.62930 
1 1 1 -12 34 19 o 43.19813 5.325029 98.03352       22.04006 13.29000       45.17114 124.5121       25.24963 23.78733 10.35771 48.70807 5.385857 -24.92074      11.67432 
1 1 1 -12 34 20 o 46.11862 5.104139 111.0991       22.65601 89.74000       46.99835 117.5651       25.85894 36.80192 11.64565 47.08355 5.728701 -10.28162      12.97842 
1 1 1 -12 34 21 o 55.93250 4.319042 160.3327       23.46297 107.0000       48.92325 176.2636       26.73861 40.00239 11.73379 58.41107 4.716761 -18.40868      12.64633 
1 1 1 -12 34 22 f 15.23471 6.902627 -7.281837      22.18231 -8.211000      46.62405 -7.009977      25.21949 21.43491 9.824795 16.29563 7.373975 5.139284       12.28422 
1 1 1 -12 34 23 o 16.94272 7.426567 0.6091208      23.56055 -41.34000      46.03952 15.49271       27.42352 18.46222 8.853624 20.64754 8.475757 -2.185328      12.25664 
1 1 1 -12 34 24 o 27.64876 8.061605 44.77854       23.15353 35.75000       49.56074 47.29918       26.18689 26.84030 11.23803 28.16408 8.659708 -1.323780      14.18746 
1 1 1 -12 34 25 o 53.81826 5.226802 152.4249       27.18781 0.000000       0.000000 152.4249       27.18781 ?        ?        53.81826 5.226802 ?              ?        
1 1 1 -12 34 26 o 38.27539 4.882584 77.08440       17.87671 43.10000       50.32141 81.99277       19.12416 27.67099 11.43256 39.38136 5.079354 -11.71037      12.51013 
1 1 1 -12 34 27 o 36.25329 9.139415 81.34854       32.41793 72.33000       50.66570 87.60000       42.18293 31.98853 11.98512 35.88865 10.98263 -3.900126      16.25612 
1 1 1 -12 34 28 o 15.48885 7.341516 -24.11250      29.79724 -78.23000      47.29008 11.52000       38.37288 16.23433 8.032659 21.72036 9.500363 -5.486032      12.44108 
1 1 1 -12 34 29 o 46.40183 10.35830 140.0000       45.85413 0.000000       0.000000 140.0000       45.85413 ?        ?        46.40183 10.35830 ?              ?        
1 1 1 -12 34 30 o 19.29345 9.222039 -33.12000      49.06703 -33.12000      49.06703 0.000000       0.000000 19.29345 9.222039 ?        ?        ?              ?        
1 1 1 -12 34 31 o 14.02736 6.847545 -44.24628      30.81680 -21.14000      48.65049 -59.73000      39.82537 20.12724 9.492109 15.45626 7.594390 4.670978       12.15627 
1 1 1 -12 34 32 o 31.88326 9.632175 65.95646       32.58823 33.01000       53.02007 85.96000       41.31325 25.94164 11.25936 35.20649 10.88609 -9.264856      15.66142 
1 1 1 -12 34 33 o 19.63284 8.604638 7.008424       31.61916 31.09000       50.50467 -8.515000      40.54925 25.46035 11.01994 19.59015 9.045537 5.870192       14.25696 
1 1 1 -12 34 34 o 30.20848 11.86776 65.28000       51.31667 65.28000       51.31667 0.000000       0.000000 30.20848 11.86776 ?        ?        ?              ?        
1 1 1 -12 34 35 o 23.38604 9.143845 29.80295       30.34132 23.52000       47.38218 34.17000       39.50277 24.18206 10.56743 24.93718 10.19728 -0.7551212     14.68520 
1 1 1 -12 34 36 o 37.41103 10.90133 98.15000       42.34977 0.000000       0.000000 98.15000       42.34977 ?        ?        37.41103 10.90133 ?              ?        
1 1 1 -12 34 37 o 46.00160 7.849825 125.1310       34.07852 110.3000       52.40255 136.0000       44.86030 37.61614 12.33331 45.12665 10.37340 -7.510506      16.11577 
1 1 1 -12 34 38 o 24.33315 9.329502 35.12727       31.12590 44.27000       49.63078 29.20000       39.96140 26.68459 11.21410 23.93046 10.05999 2.754128       15.06517 
1 1 1 -12 34 39 o 17.34064 7.921301 -5.206990      29.97019 -75.77000      47.34935 41.96000       38.71191 16.02579 7.948527 25.75422 10.24766 -9.728432      12.96895 
1 1 1 -12 34 40 o 27.63668 9.411626 51.04956       30.47327 15.88000       45.42890 79.82000       41.08866 22.40233 10.03735 32.75749 10.92820 -10.35515      14.83826 
1 1 1 -12 34 41 o 26.00949 9.272785 44.89956       29.76660 49.11000       43.81327 41.29000       40.56659 26.49511 10.77499 25.22125 10.32591 1.273857       14.92397 
1 1 1 -12 35 1  o 20.36602 6.977033 21.18125       16.75168 18.90000       49.27262 21.47939       17.81274 25.50779 10.96126 20.61218 7.188223 4.895613       13.10800 
1 1 1 -12 35 2  o 45.61205 4.475284 106.5507       19.72357 80.39000       51.18250 111.1131       21.37437 35.35138 12.19247 46.45003 4.768767 -11.09866      13.09188 
1 1 1 -12 35 3  o 35.84711 5.455083 67.64315       18.53802 80.49000       49.58007 65.55524       19.98776 35.44143 12.00574 35.00718 6.051990 0.4342537      13.44486 
1 1 1 -12 35 4  o 27.87529 6.550214 42.56081       17.56763 15.43000       48.86069 46.58880       18.82661 24.99196 10.82811 29.11146 6.740041 -4.119501      12.75445 
1 1 1 -12 35 5  o 71.54607 4.127398 259.4679       28.78201 210.4000       58.69127 275.0046       33.02586 59.19885 10.51385 73.34491 4.623743 -14.14606      11.48565 
1 1 1 -12 35 6  o 41.60627 9.040906 100.6767       35.76504 105.0000       52.48956 96.93000       48.86368 39.89849 12.25883 38.68990 11.81662 1.208591       17.02679 
1 1 1 -12 35 7  f 54.56650 4.089355 151.2202       21.68286 66.76000       52.24141 168.7980       23.83260 32.74746 12.18990 57.57911 4.258781 -24.83165      12.91243 
1 1 1 -12 35 8  o 12.69862 5.817460 -9.113323      16.31829 0.000000       0.000000 -9.113323      16.31829 ?        ?        12.69862 5.817460 ?              ?        
1 1 1 -12 35 9  o 48.82452 7.553825 131.8880       34.93581 0.000000       0.000000 131.8880       34.93581 ?        ?        48.82452 7.553825 ?              ?        
1 1 1 -12 35 10 o 24.29477 8.759583 31.27762       26.64428 9.902000       48.35176 40.59897       31.92952 24.06286 10.59024 26.90804 9.602608 -2.845179      14.29557 
1 1 1 -12 35 11 o 14.59906 6.276951 1.216301       16.17444 -49.90000      47.09305 8.052541       17.22209 18.33125 8.832704 16.58345 6.751258 1.747799       11.11738 
1 1 1 -12 35 12 o 36.37394 9.379316 79.16058       33.60920 40.66000       49.41552 112.3000       45.84609 28.19170 11.45122 42.12443 11.00125 -13.93272      15.87948 
1 1 1 -12 35 13 o 25.79528 7.381226 37.42622       19.58020 23.43000       47.99187 40.22121       21.44632 25.57295 10.89927 26.61285 7.758463 -1.039902      13.37863 
1 1 1 -12 35 14 o 18.14688 7.067796 13.27590       18.07084 -40.12000      46.45503 22.79627       19.61579 18.82276 8.990538 21.12446 7.527865 -2.301708      11.72598 
1 1 1 -12 35 15 o 22.66269 7.382348 28.05420       18.78947 -37.89000      45.52879 41.59116       20.62806 18.76838 8.946791 27.06889 7.517984 -8.300503      11.68611 
1 1 1 -12 35 16 o 43.83911 5.159662 100.6346       21.71710 7.295000       47.31419 125.5479       24.44415 23.36593 10.37047 49.01022 5.173417 -25.64429      11.58926 
1 1 1 -12 35 17 o 16.45261 6.910160 5.552466       18.82816 -33.79000      42.87907 14.94991       20.95654 18.40967 8.749317 19.22142 7.574065 -0.8117542     11.57225 
1 1 1 -12 35 18 o 24.99251 7.592561 35.43167       20.20916 46.95000       43.17028 32.19912       22.86981 28.40375 10.96203 24.04320 8.153839 4.360550       13.66204 
1 1 1 -12 35 19 o 37.10439 6.132211 74.72865       21.49415 55.80000       45.37325 80.20545       24.40642 29.91453 11.31285 38.05793 6.801315 -8.143400      13.19994 
1 1 1 -12 35 20 o 30.37575 7.990442 53.84998       24.07205 8.497000       44.98804 72.04391       28.49426 22.86742 10.13272 34.93923 8.429520 -12.07181      13.18063 
1 1 1 -12 35 21 o 15.13011 6.879724 -7.847973      22.27732 -3.803000      42.12628 -9.418312      26.24774 20.86239 9.476140 16.22268 7.411543 4.639717       12.03030 
1 1 1 -12 35 22 f 16.06616 6.932611 2.537618       19.86696 -51.00000      42.44932 17.55351       22.48106 16.85963 8.186270 20.01895 7.857933 -3.159319      11.34734 
1 1 1 -12 35 23 o 42.75084 7.596369 104.4542       30.62289 0.000000       0.000000 104.4542       30.62289 ?        ?        42.75084 7.596369 ?              ?        
1 1 1 -12 35 24 f 25.92677 8.120615 39.64321       22.90849 11.00000       49.61125 47.40571       25.82678 23.49991 10.51210 28.00766 8.597828 -4.507750      13.58039 
1 1 1 -12 35 25 o 48.17751 4.998775 122.4729       23.23076 74.89000       52.10511 134.2779       25.95295 32.18108 12.13347 50.19646 5.365211 -18.01538      13.26675 
1 1 1 -12 35 26 o 23.15009 9.200624 27.20576       31.16988 -31.32000      50.35955 63.55000       39.68497 19.70883 9.399096 30.76276 10.72917 -11.05393      14.26388 
1 1 1 -12 35 27 o 26.61941 9.651381 43.82135       32.40252 6.194000       52.38412 67.14000       41.23818 23.09142 10.51916 31.24179 10.93431 -8.150372      15.17273 
1 1 1 -12 35 28 o 31.79939 9.584592 65.15037       32.29384 69.82000       52.45393 62.30000       40.98146 31.10508 12.06200 30.28573 10.87069 0.8193512      16.23772 
1 1 1 -12 35 29 o 24.62975 9.425190 34.70507       31.72706 -44.28000      50.48845 86.25000       40.78613 18.76846 9.068634 35.47090 10.78837 -16.70244      14.09359 
1 1 1 -12 35 30 o 24.92407 9.380157 36.73994       31.10925 64.70000       50.49959 19.64000       39.49263 30.13520 11.79252 22.76310 9.797945 7.372101       15.33177 
1 1 1 -12 35 31 o 23.60185 9.983308 25.39000       39.74771 0.000000       0.000000 25.39000       39.74771 ?        ?        23.60185 9.983308 ?              ?        
1 1 1 -12 35 32 o 20.73044 9.677492 -11.19000      48.40405 -11.19000      48.40405 0.000000       0.000000 20.73044 9.677492 ?        ?        ?              ?        
1 1 1 -12 35 33 o 20.60807 8.951352 11.53587       33.56452 -25.62000      47.59368 48.30000       47.34212 19.38416 9.213977 27.47167 11.18992 -8.087513      14.49523 
1 1 1 -12 35 34 o 18.87233 8.724534 -9.065000      37.88731 0.000000       0.000000 -9.065000      37.88731 ?        ?        18.87233 8.724534 ?              ?        
1 1 1 -12 35 35 o 19.07689 8.389861 6.167261       30.29646 1.390000       48.23463 9.280000       38.93506 21.68253 9.958542 21.10134 9.384001 0.5811844      13.68328 
1 1 1 -12 35 36 o 16.25800 7.579177 -14.08234      29.52465 -58.47000      47.29083 14.27000       37.79552 17.02877 8.348402 21.55593 9.428528 -4.527161      12.59337 
1 1 1 -12 35 37 o 19.76380 8.546506 11.44904       30.32195 58.28000       49.11664 -17.39000      38.54362 28.43809 11.46504 18.01763 8.482285 10.42047       14.26171 
1 1 1 -12 35 38 o 20.21824 8.593445 15.54943       29.69145 27.85000       45.61594 6.507000       39.11077 23.88309 10.40387 20.49790 9.237793 3.385191       13.91321 
1 1 1 -12 35 39 o 16.74482 7.699387 -6.501179      28.94477 -16.80000      43.70378 1.546000       38.63199 18.83529 8.916898 19.68915 8.993854 -0.8538589     12.66493 
1 1 1 -12 35 40 o 17.22360 7.843564 -2.529693      29.09508 -40.37000      43.25040 28.75000       39.32277 16.93099 8.230624 23.13074 9.862369 -6.199753      12.84560 
1 1 1 -12 36 1  o 26.16522 6.904929 38.15493       17.93883 -19.15000      47.58065 47.65015       19.36809 20.83860 9.683105 29.27236 6.877133 -8.433765      11.87676 
1 1 1 -12 36 2  o 68.28846 3.720684 235.4824       24.77608 133.6000       55.52740 260.8084       27.68477 44.65862 12.30836 71.73260 3.958266 -27.07398      12.92917 
1 1 1 -12 36 3  o 14.20753 6.207721 -0.9004881     16.34571 -2.598000      46.62655 -0.6626382     17.45333 22.26467 10.05540 14.69938 6.418776 7.565288       11.92945 
1 1 1 -12 36 4  o 44.81481 5.301886 105.2607       22.80734 105.3000       50.90647 105.2508       25.51096 39.70467 12.04798 44.40024 6.025301 -4.695564      13.47064 
1 1 1 -12 36 5  o 50.08862 4.367312 128.5768       21.19821 46.83000       51.33750 145.3797       23.27510 29.17183 11.73523 53.20262 4.511943 -24.03078      12.57272 
1 1 1 -12 36 6  o 56.36672 4.029203 161.5936       22.08383 118.4000       53.68105 170.3929       24.22909 41.85503 12.29489 57.72789 4.319216 -15.87286      13.03150 
1 1 1 -12 36 7  o 25.88246 7.153767 37.60538       18.72776 0.000000       0.000000 37.60538       18.72776 ?        ?        25.88246 7.153767 ?              ?        
1 1 1 -12 36 8  o 15.19123 6.516166 2.000495       17.35372 0.000000       0.000000 2.000495       17.35372 ?        ?        15.19123 6.516166 ?              ?        
1 1 1 -12 36 9  o 22.34124 7.148430 27.30262       17.66791 44.33000       45.43388 24.26899       19.17731 28.24768 11.14556 21.48430 7.460527 6.763382       13.41205 
1 1 1 -12 36 10 o 18.48042 7.944439 5.066466       25.90127 17.38000       45.20856 -0.9504461     31.60212 24.25387 10.46168 19.05687 8.465722 5.196993       13.45791 
1 1 1 -12 36 11 o 17.35060 7.660030 -0.9163811     25.48298 3.476000       44.70161 -3.031021      31.01639 22.43574 10.01121 18.60068 8.316806 3.835056       13.01513 
1 1 1 -12 36 12 o 33.89763 5.804456 61.76321       18.56691 56.59000       45.92917 62.77375       20.29951 30.29008 11.39796 33.89573 6.351677 -3.605652      13.04827 
1 1 1 -12 36 13 o 25.84529 7.441636 37.95596       19.84295 20.24000       44.92427 42.25005       22.11742 24.47862 10.49177 27.08513 7.873976 -2.606514      13.11781 
1 1 1 -12 36 14 o 25.95213 7.645466 38.52429       20.73247 -8.089000      44.52807 51.42650       23.42670 21.04378 9.628968 29.78182 7.905435 -8.738035      12.45845 
1 1 1 -12 36 15 o 22.93649 7.324684 29.31570       18.55679 38.86000       44.40801 27.29654       20.42559 26.97346 10.89201 22.39745 7.703167 4.576014       13.34072 
1 1 1 -12 36 16 o 19.79063 7.424032 18.69145       19.45308 4.681000       44.79910 21.94705       21.59528 22.37329 10.00005 21.01702 7.834660 1.356264       12.70366 
1 1 1 -12 36 17 o 40.43591 5.501409 87.11916       21.21027 71.82000       47.42813 90.94384       23.71374 32.62034 11.69620 40.96109 6.100391 -8.340755      13.19151 
1 1 1 -12 36 18 o 22.80202 7.763197 28.87377       20.73323 22.77000       44.11564 30.60415       23.48896 24.37986 10.42196 23.45911 8.249063 0.9207516      13.29151 
1 1 1 -12 36 19 o 59.75718 6.411999 194.3550       36.91917 197.9000       52.17472 190.8000       52.24856 56.87810 9.720405 55.54041 9.977490 1.337688       13.92970 
1 1 1 -12 36 20 o 40.39231 5.836167 88.15819       22.40629 103.2000       45.98785 83.47600       25.65768 38.86577 11.36972 38.47520 7.073451 0.3905678      13.39045 
1 1 1 -12 36 21 o 29.71395 7.282383 50.98714       21.01302 32.99000       44.66053 56.10402       23.81357 25.64145 10.69705 30.84002 7.865171 -5.198563      13.27734 
1 1 1 -12 36 22 o 63.38311 5.795135 216.2265       35.55630 0.000000       0.000000 216.2265       35.55630 ?        ?        63.38311 5.795135 ?              ?        
1 1 1 -12 36 23 o 26.69787 9.483732 43.88332       31.10988 56.70000       46.70286 33.66000       41.71112 29.18399 11.36350 25.26511 10.42064 3.918875       15.41813 
1 1 1 -12 36 24 o 49.51795 5.225204 130.5403       24.94489 108.7000       54.87432 136.2291       28.00580 37.53305 12.63058 50.12784 5.815515 -12.59479      13.90510 
1 1 1 -12 36 25 o 28.73535 6.132414 46.16242       16.72301 4.516000       51.87211 50.99300       17.66626 22.79255 10.41536 30.20967 6.182832 -7.417116      12.11227 
1 1 1 -12 36 26 o 32.05460 9.552651 66.26147       32.21580 59.85000       51.66598 70.34000       41.20766 29.51564 11.80725 31.86520 10.94200 -2.349556      16.09778 
1 1 1 -12 36 27 o 28.90461 9.547186 53.71933       31.37936 66.05000       50.13940 45.78000       40.23255 30.40618 11.79235 27.02316 10.53990 3.383022       15.81611 
1 1 1 -12 36 28 o 18.82694 8.305366 4.343529       29.90251 13.23000       48.32794 -1.169000      38.06353 23.08840 10.34809 19.83498 9.008735 3.253416       13.72007 
1 1 1 -12 36 29 o 22.43366 9.089439 24.79709       31.04345 -0.7577000     49.61276 41.24000       39.79665 21.83283 10.05389 26.08115 10.38614 -4.248316      14.45519 
1 1 1 -12 36 30 o 23.24476 9.180630 29.19461       30.85371 18.86000       48.90024 36.03000       39.76907 23.71431 10.53298 25.17296 10.25507 -1.458656      14.70068 
1 1 1 -12 36 31 o 35.26472 12.12638 95.65000       50.61651 95.65000       50.61651 0.000000       0.000000 35.26472 12.12638 ?        ?        ?              ?        
1 1 1 -12 36 32 o 23.31728 9.136799 30.05069       30.34948 26.77000       46.64030 32.46000       39.96911 24.33444 10.56104 24.53921 10.16846 -0.2047691     14.66059 
1 1 1 -12 36 33 o 22.54734 9.713054 20.58000       38.87257 0.000000       0.000000 20.58000       38.87257 ?        ?        22.54734 9.713054 ?              ?        
1 1 1 -12 36 34 o 13.67180 6.704068 -46.14433      30.54648 -58.03000      48.61381 -38.39000      39.26631 17.29839 8.477232 16.53644 7.991959 0.7619438      11.65053 
1 1 1 -12 36 35 o 19.59089 9.299255 -20.40000      48.14523 -20.40000      48.14523 0.000000       0.000000 19.59089 9.299255 ?        ?        ?              ?        
1 1 1 -12 36 36 o 33.94507 9.234558 75.93233       31.49133 65.93000       48.03826 83.47000       41.70182 29.41156 11.50383 33.49638 11.00331 -4.084818      15.91889 
1 1 1 -12 36 37 o 17.26078 7.851703 -2.716246      29.05313 -46.35000      43.00133 33.93000       39.40808 16.57217 8.089584 24.06427 10.04442 -7.492100      12.89696 
1 1 1 -12 36 38 o 34.78642 9.044342 80.24367       31.07833 26.36000       44.99568 129.4000       42.97659 23.23696 10.22181 42.83453 10.36372 -19.59756      14.55651 
1 1 1 -12 37 1  o 65.11266 3.852700 215.1144       24.44507 128.9000       51.29482 240.4480       27.80560 44.09922 11.69416 68.65469 4.157151 -24.55547      12.41109 
1 1 1 -12 37 2  o 33.94037 5.965419 62.25440       19.09519 47.05000       45.21872 65.55415       21.06561 28.56677 11.16470 34.58062 6.461022 -6.013844      12.89944 
1 1 1 -12 37 3  o 25.49994 7.399480 36.85915       19.54837 75.59000       45.74031 28.20404       21.62255 33.83593 11.53052 22.83244 7.922274 11.00349       13.98983 
1 1 1 -12 37 4  o 28.40073 6.502719 44.70351       17.68663 60.38000       44.89832 41.82404       19.24255 30.89413 11.33630 27.19658 7.139235 3.697552       13.39703 
1 1 1 -12 37 5  f 49.70263 4.266480 126.7399       20.55593 128.2000       49.51641 126.4358       22.59489 44.25515 11.37064 49.38527 4.732013 -5.130127      12.31598 
1 1 1 -12 37 6  o 48.90731 4.733507 124.0552       22.37723 0.000000       0.000000 124.0552       22.37723 ?        ?        48.90731 4.733507 ?              ?        
1 1 1 -12 37 7  o 12.69008 5.800410 -8.115664      16.10171 -45.65000      43.56836 -2.178067      17.32855 17.60993 8.487806 14.28534 6.311264 3.324594       10.57709 
1 1 1 -12 37 8  o 26.78123 8.672852 41.97907       25.95401 55.98000       44.86637 34.93763       31.81804 29.95632 11.26683 25.27279 9.491740 4.683537       14.73210 
1 1 1 -12 37 9  o 27.65149 6.831054 43.02615       18.37945 -18.33000      45.45427 55.01859       20.09553 20.18146 9.406844 31.39412 6.740932 -11.21267      11.57276 
1 1 1 -12 37 10 o 26.88185 6.904906 40.83786       18.26329 -21.31000      44.72673 53.27344       20.00723 19.72771 9.239695 30.81907 6.813556 -11.09135      11.48027 
1 1 1 -12 37 11 o 34.43721 8.023342 69.15330       26.54123 41.70000       45.32376 83.48062       32.74245 27.39941 11.02500 37.12005 9.086173 -9.720634      14.28668 
1 1 1 -12 37 12 o 20.74456 7.404727 22.37511       18.98700 52.24000       43.11848 15.19122       21.14769 29.05884 11.01929 19.20062 7.595223 9.858213       13.38328 
1 1 1 -12 37 13 o 23.74278 7.192657 31.92124       18.15392 23.55000       43.23316 33.71325       20.00284 24.38850 10.36789 24.29700 7.584891 0.9149551E-01  12.84615 
1 1 1 -12 37 14 o 22.40119 7.797756 27.55335       20.95653 10.87000       42.71663 32.84151       24.04959 22.57739 9.944577 24.06565 8.354801 -1.488255      12.98835 
1 1 1 -12 37 15 o 24.81005 7.403535 35.32994       19.34082 11.68000       42.75470 41.41474       21.68662 22.67409 9.969466 26.62920 7.812584 -3.955111      12.66597 
1 1 1 -12 37 16 o 50.43699 4.716673 132.6056       23.01573 104.2000       47.99845 141.0870       26.22766 38.69668 11.68965 51.66207 5.259862 -12.96539      12.81851 
1 1 1 -12 37 17 o 17.58921 7.283259 9.377151       20.48472 -24.68000      43.32565 19.18250       23.24730 18.91487 8.931657 20.42072 7.998127 -1.505844      11.98935 
1 1 1 -12 37 18 o 26.09101 8.451402 40.69340       24.64463 18.99000       44.93328 50.03127       29.47326 23.68353 10.32120 28.36921 9.246266 -4.685677      13.85715 
1 1 1 -12 37 19 o 49.31319 5.023308 128.5398       23.90889 94.00000       51.35427 138.0982       27.01532 35.49168 12.21406 50.74342 5.528353 -15.25174      13.40693 
1 1 1 -12 37 20 o 25.07247 8.386641 37.44394       24.19670 0.000000       0.000000 37.44394       24.19670 ?        ?        25.07247 8.386641 ?              ?        
1 1 1 -12 37 21 f 23.94373 8.234199 33.53858       23.33864 0.000000       0.000000 33.53858       23.33864 ?        ?        23.94373 8.234199 ?              ?        
1 1 1 -12 37 22 o 41.28199 6.748069 96.15013       26.32639 147.5000       52.86809 79.21853       30.35799 45.45028 11.78594 35.77922 8.743670 9.671066       14.67516 
1 1 1 -12 37 23 o 22.01757 9.049929 21.97011       31.31738 6.827000       48.72412 32.63000       40.88020 22.53338 10.21776 24.84351 10.28814 -2.310137      14.49994 
1 1 1 -12 37 24 o 27.86187 7.851404 46.53680       22.32498 28.18000       49.59087 51.20270       25.00176 25.02976 10.87616 28.91363 8.361706 -3.883869      13.71893 
1 1 1 -12 37 25 o 30.09295 9.502982 58.87605       31.30964 29.64000       50.51814 77.11000       39.89591 25.14694 10.95161 33.23659 10.75200 -8.089647      15.34742 
1 1 1 -12 37 26 o 19.23541 8.392667 7.405320       29.78580 0.6056000      48.65922 11.48000       37.66746 21.80219 10.00936 21.28902 9.359119 0.5131683      13.70330 
1 1 1 -12 37 27 o 48.71553 7.506583 137.9735       34.64639 115.6000       54.23386 153.4000       45.03361 38.31929 12.54600 48.88310 9.753812 -10.56381      15.89147 
1 1 1 -12 37 28 f 27.14100 9.536079 47.23931       31.38580 90.28000       49.80588 18.89000       40.42149 34.31808 12.01620 22.62653 9.825704 11.69155       15.52204 
1 1 1 -12 37 29 o 21.00670 9.682877 -2.723000      46.17754 -2.723000      46.17754 0.000000       0.000000 21.00670 9.682877 ?        ?        ?              ?        
1 1 1 -12 37 30 o 22.44310 9.067483 25.66404       30.79478 26.34000       45.65979 25.10000       41.70870 24.10944 10.45649 23.54766 10.10135 0.5617809      14.53875 
1 1 1 -12 37 31 o 21.55427 8.894056 21.56130       30.40337 -34.37000      48.04832 58.91000       39.26345 18.63950 8.966109 29.05349 10.61067 -10.41398      13.89163 
1 1 1 -12 37 32 o 31.35914 10.94102 71.18000       41.26961 0.000000       0.000000 71.18000       41.26961 ?        ?        31.35914 10.94102 ?              ?        
1 1 1 -12 37 33 f 26.60484 9.512810 46.35943       31.35048 57.05000       50.57951 39.69000       39.95018 28.14316 11.52702 25.34083 10.29514 2.802326       15.45516 
1 1 1 -12 37 34 o 24.68937 9.342804 38.31161       30.95795 9.759000       47.71416 59.07000       40.68377 22.04238 10.04052 28.60684 10.73527 -6.564461      14.69891 
1 1 1 -12 37 35 o 23.29770 9.917549 28.86000       39.65165 0.000000       0.000000 28.86000       39.65165 ?        ?        23.29770 9.917549 ?              ?        
1 1 1 -12 37 36 o 18.93538 8.813939 -6.042000      39.68862 0.000000       0.000000 -6.042000      39.68862 ?        ?        18.93538 8.813939 ?              ?        
1 1 1 -12 37 37 o 24.89373 10.52182 41.25000       44.09662 41.25000       44.09662 0.000000       0.000000 24.89373 10.52182 ?        ?        ?              ?        
1 1 1 -12 38 1  o 48.65980 5.132926 124.5319       24.07997 97.93000       46.33888 134.3727       28.18416 37.92154 11.49225 50.05189 5.863827 -12.13035      12.90179 
1 1 1 -12 38 2  o 42.51467 5.679241 96.78665       23.04328 88.53000       46.07986 99.53993       26.60938 35.96275 11.54825 42.50751 6.610062 -6.544765      13.30620 
1 1 1 -12 38 3  o 54.62303 4.098667 152.8817       21.75433 150.2000       49.05700 153.5381       24.27129 48.47324 10.63246 54.42939 4.598667 -5.956150      11.58434 
1 1 1 -12 38 4  o 34.82553 6.101746 66.24718       20.04206 0.000000       0.000000 66.24718       20.04206 ?        ?        34.82553 6.101746 ?              ?        
1 1 1 -12 38 5  o 29.80521 6.690788 49.88643       19.04001 0.000000       0.000000 49.88643       19.04001 ?        ?        29.80521 6.690788 ?              ?        
1 1 1 -12 38 6  o 17.33372 7.828214 -5.298490      28.25688 -2.242000      40.37088 -8.234000      39.56385 20.60138 9.325320 19.77264 9.058222 0.8287430      13.00050 
1 1 1 -12 38 7  o 28.33158 6.488778 44.93631       17.60659 -5.414000      42.55408 55.33582       19.33956 20.66858 9.440532 31.52015 6.484813 -10.85157      11.45323 
1 1 1 -12 38 8  o 50.37705 4.259596 130.8385       20.80760 116.2000       47.85795 134.2507       23.10575 41.27256 11.44673 50.75648 4.704269 -9.483925      12.37570 
1 1 1 -12 38 9  o 20.65863 7.191079 22.78149       17.82245 -0.3369000     42.18177 27.80544       19.66386 21.11563 9.547656 22.36535 7.560922 -1.249714      12.17889 
1 1 1 -12 38 10 o 15.96436 6.678361 5.954891       17.47898 -41.30000      41.68378 16.03647       19.25343 17.28186 8.322745 18.93328 7.317050 -1.651423      11.08185 
1 1 1 -12 38 11 o 30.50916 6.377206 51.83386       18.43022 23.27000       42.15656 58.58333       20.49234 24.04397 10.23030 32.29175 6.702919 -8.247780      12.23062 
1 1 1 -12 38 12 o 18.84859 7.961804 9.741863       25.22361 -8.806000      41.63068 20.50028       31.70594 20.01898 9.215373 22.06857 9.092039 -2.049595      12.94559 
1 1 1 -12 38 13 o 11.52157 5.523303 -21.38899      17.88347 12.42000       41.58488 -29.06040      19.80875 22.37395 9.834999 11.50901 5.589156 10.86494       11.31220 
1 1 1 -12 38 14 o 28.87478 9.627077 52.91954       31.88784 65.08000       46.12870 41.79000       44.13010 30.71510 11.45042 26.75511 10.83839 3.959990       15.76650 
1 1 1 -12 38 15 f 47.91590 5.503323 123.2722       25.34333 74.68000       48.24520 141.7911       29.78361 32.17765 11.76025 50.93214 6.095072 -18.75449      13.24588 
1 1 1 -12 38 16 o 18.66075 7.764098 11.61097       23.43651 -32.78000      44.89403 28.24073       27.47795 18.40841 8.805016 22.86545 8.766017 -4.457035      12.42463 
1 1 1 -12 38 17 o 42.66692 7.104734 103.7731       28.62897 103.1000       51.32066 104.0772       34.49501 36.99614 12.20911 41.19510 8.820686 -4.198952      15.06210 
1 1 1 -12 38 18 o 15.72202 6.969941 -0.8029706     21.31199 35.04000       48.97062 -9.177749      23.67120 25.79045 11.00146 15.20546 6.980978 10.58499       13.02943 
1 1 1 -12 38 19 o 39.65972 6.914383 89.59901       25.86630 0.000000       0.000000 89.59901       25.86630 ?        ?        39.65972 6.914383 ?              ?        
1 1 1 -12 38 20 o 28.72447 7.761822 49.42469       22.33694 28.34000       49.84160 54.72377       24.98668 24.98450 10.87949 29.90719 8.261993 -4.922688      13.66103 
1 1 1 -12 38 21 o 25.87146 7.752094 39.93415       21.17157 23.66000       47.83858 43.89801       23.60955 24.24416 10.60585 26.86462 8.215509 -2.620466      13.41561 
1 1 1 -12 38 22 o 50.04003 5.574426 135.4340       26.84082 100.6000       51.48632 148.4340       31.45304 36.08213 12.23426 51.70870 6.347296 -15.62657      13.78279 
1 1 1 -12 38 23 o 14.97885 6.886649 -9.228662      23.14803 6.337000       46.51546 -14.35231      26.68721 21.99082 9.976395 15.44301 7.201420 6.547809       12.30402 
1 1 1 -12 38 24 o 50.19679 5.069730 134.2594       24.56860 121.3000       53.81455 137.6717       27.61442 39.44252 12.45906 50.30367 5.709137 -10.86116      13.70483 
1 1 1 -12 38 25 o 20.15894 8.620960 13.17879       30.20735 22.23000       47.69423 7.116000       39.03454 23.83366 10.50257 20.85893 9.328049 2.974724       14.04694 
1 1 1 -12 38 26 o 33.14520 9.314033 71.31905       31.46351 36.31000       48.70648 96.39000       41.21752 25.63682 10.95483 37.10965 10.73747 -11.47284      15.33954 
1 1 1 -12 38 27 o 26.36324 9.425157 44.23046       30.77433 -9.591000      46.77473 85.31000       40.86451 20.41754 9.525396 34.63087 10.84571 -14.21333      14.43477 
1 1 1 -12 38 28 o 24.55575 10.61870 30.02000       46.80819 30.02000       46.80819 0.000000       0.000000 24.55575 10.61870 ?        ?        ?              ?        
1 1 1 -12 38 29 o 30.99812 9.388667 63.53041       30.93361 97.99000       48.57380 40.02000       40.12150 35.50834 11.88267 25.49960 10.33273 10.00873       15.74685 
1 1 1 -12 38 30 f 18.86611 8.714293 -7.027000      37.68201 0.000000       0.000000 -7.027000      37.68201 ?        ?        18.86611 8.714293 ?              ?        
1 1 1 -12 38 31 o 26.37485 9.499393 45.66087       31.32495 17.65000       49.58080 64.27000       40.41227 23.13028 10.41460 29.72809 10.77847 -6.597816      14.98797 
1 1 1 -12 38 32 o 17.29198 7.877696 -3.484131      29.38419 5.671000       45.68906 -9.942000      38.37290 21.30761 9.751194 18.53357 8.640190 2.774042       13.02838 
1 1 1 -12 38 33 o 17.50880 7.907604 -0.1786282     28.83629 0.5660000      44.34004 -0.7244000     37.96049 20.45363 9.449446 19.28736 8.849610 1.166273       12.94634 
1 1 1 -12 38 34 o 25.64805 9.263655 44.27971       29.81487 33.35000       44.35330 53.29000       40.27089 23.96206 10.34916 26.97503 10.53806 -3.012974      14.77010 
1 1 1 -12 38 35 o 20.99911 8.708806 22.47343       29.35201 5.372000       43.70869 36.52000       39.61290 20.58073 9.462515 24.06896 10.06020 -3.488232      13.81111 
1 1 1 -12 39 1  o 35.26271 7.142685 70.98774       23.80769 34.33000       43.48433 86.68000       28.45069 25.65624 10.61644 38.54879 7.808053 -12.89255      13.17856 
1 1 1 -12 39 2  o 30.37139 6.400829 51.61431       18.42757 73.36000       43.27397 46.79761       20.36644 32.61056 11.21245 28.40351 7.289506 4.207050       13.37370 
1 1 1 -12 39 3  o 12.77064 5.955289 -12.90549      18.25107 0.000000       0.000000 -12.90549      18.25107 ?        ?        12.77064 5.955289 ?              ?        
1 1 1 -12 39 4  o 30.53261 7.550233 54.54947       22.43680 0.000000       0.000000 54.54947       22.43680 ?        ?        30.53261 7.550233 ?              ?        
1 1 1 -12 39 5  o 22.09489 6.991800 27.53361       16.94072 36.02000       41.05842 25.79249       18.59754 25.66338 10.43297 21.57480 7.352365 4.088583       12.76339 
1 1 1 -12 39 6  o 15.68418 6.529490 6.279852       16.58966 -6.485000      39.65715 8.987502       18.26459 19.76311 9.059466 16.83814 6.915087 2.924969       11.39703 
1 1 1 -12 39 7  o 45.68962 4.521699 108.9133       19.95714 105.7000       45.18892 109.6920       22.24397 39.04881 11.22593 45.49317 5.081989 -6.444363      12.32266 
1 1 1 -12 39 8  o 18.43582 6.967201 16.14264       17.20293 13.45000       43.15863 16.65126       18.75743 22.61122 9.976204 18.87455 7.240963 3.736671       12.32705 
1 1 1 -12 39 9  o 40.12428 5.348351 86.40519       20.48285 42.69000       47.08335 96.60974       22.74826 26.88385 11.07813 42.25655 5.640561 -15.37270      12.43145 
1 1 1 -12 39 10 f 12.61649 5.865619 -11.48050      17.49513 -10.00000      43.92781 -11.75961      19.07308 20.11819 9.333116 13.21629 6.137632 6.901899       11.17039 
1 1 1 -12 39 11 o 13.35370 6.074939 -6.507884      17.39658 -4.086000      44.54150 -6.943831      18.89756 20.77863 9.553040 13.86894 6.317968 6.909686       11.45327 
1 1 1 -12 39 12 o 20.96401 8.379369 20.53857       25.99942 16.65000       48.17018 22.13707       30.88437 23.51240 10.44806 21.98804 9.006843 1.524357       13.79439 
1 1 1 -12 39 13 o 21.00874 8.382137 20.88317       25.96957 -27.24000      47.73498 41.11443       30.95074 19.32466 9.197612 25.86189 9.424462 -6.537233      13.16877 
1 1 1 -12 39 14 o 34.73655 7.158294 69.88137       23.52913 40.06000       50.06250 78.33646       26.65680 26.42061 11.19113 36.37952 7.724873 -9.958918      13.59834 
1 1 1 -12 39 15 f 53.47382 6.419421 159.0513       32.92936 94.07000       54.14223 197.2000       41.48407 34.49849 12.48029 58.48269 7.413135 -23.98420      14.51593 
1 1 1 -12 39 16 o 29.54769 7.524663 51.85592       21.81834 131.3000       50.87422 33.95065       24.15224 42.43161 11.81465 23.94951 8.368969 18.48210       14.47845 
1 1 1 -12 39 17 o 28.84602 8.263090 51.03097       24.52553 0.000000       0.000000 51.03097       24.52553 ?        ?        28.84602 8.263090 ?              ?        
1 1 1 -12 39 18 o 33.91288 7.869875 68.84904       25.61870 0.000000       0.000000 68.84904       25.61870 ?        ?        33.91288 7.869875 ?              ?        
1 1 1 -12 39 19 o 25.80178 7.930255 40.29632       21.96363 68.08000       50.14789 33.70174       24.43156 30.32435 11.78426 23.82016 8.409800 6.504192       14.47734 
1 1 1 -12 39 20 o 13.15303 6.200998 -16.57980      20.73184 -9.889000      47.83858 -18.12697      23.00430 20.60006 9.618003 13.78773 6.509893 6.812329       11.61399 
1 1 1 -12 39 21 o 30.65651 7.280903 55.40785       21.52150 94.56000       50.01991 46.51333       23.84110 34.92543 12.05287 27.46525 8.225547 7.460178       14.59216 
1 1 1 -12 39 22 o 25.08272 8.378760 38.51453       24.15242 5.970000       47.91977 49.59737       27.96412 22.03330 10.04631 27.84670 9.001169 -5.813398      13.48886 
1 1 1 -12 39 23 o 29.33632 8.046533 52.76444       23.79638 55.59000       47.37158 51.81079       27.52066 28.28208 11.30857 28.49368 8.897056 -0.2116013     14.38893 
1 1 1 -12 39 24 o 32.58089 9.418907 69.72871       31.72877 32.49000       46.15299 103.1000       43.69070 24.85908 10.64413 37.87490 11.08274 -13.01582      15.36635 
1 1 1 -12 39 25 o 42.45378 8.220548 109.3799       32.92596 66.26000       47.96724 147.8000       45.27774 29.89713 11.55059 47.25329 10.09574 -17.35616      15.34080 
1 1 1 -12 39 26 o 21.14054 9.712748 1.489000       45.93395 1.489000       45.93395 0.000000       0.000000 21.14054 9.712748 ?        ?        ?              ?        
1 1 1 -12 39 27 o 16.99110 8.298385 -50.32000      45.41961 -50.32000      45.41961 0.000000       0.000000 16.99110 8.298385 ?        ?        ?              ?        
1 1 1 -12 39 28 o 31.73502 9.494534 67.33096       31.77703 38.01000       49.60337 87.74000       41.38409 25.55415 10.98981 34.66859 10.92244 -9.114441      15.49437 
1 1 1 -12 39 29 o 16.25037 7.833115 -33.10000      37.12352 0.000000       0.000000 -33.10000      37.12352 ?        ?        16.25037 7.833115 ?              ?        
1 1 1 -12 39 30 o 17.89404 8.031601 1.666916       29.22810 -15.59000      44.84602 14.41000       38.53715 19.16168 9.059864 21.23215 9.394627 -2.070469      13.05144 
1 1 1 -12 39 31 o 20.82649 8.708188 20.44713       29.69763 -18.69000      45.16775 50.25000       39.41513 18.84328 8.962352 26.60427 10.41605 -7.760998      13.74110 
1 1 1 -12 39 32 o 26.13723 9.283259 46.66286       29.80760 48.99000       44.70375 44.80000       39.99657 26.06155 10.77233 25.42422 10.31136 0.6373234      14.91198 
1 1 1 -12 39 33 o 18.24092 8.095795 6.359756       28.83407 8.353000       42.92612 4.721000       38.92231 20.73376 9.474640 19.78319 9.033293 0.9505672      13.09081 
1 1 1 -12 40 1  o 26.94867 9.485099 45.88504       31.06074 13.35000       46.16736 72.79000       41.98319 22.82217 10.17947 32.08764 11.04353 -9.265476      15.01936 
1 1 1 -12 40 2  o 35.86061 7.088093 74.05386       23.99787 0.000000       0.000000 74.05386       23.99787 ?        ?        35.86061 7.088093 ?              ?        
1 1 1 -12 40 3  o 32.94860 6.393893 61.06705       19.87699 -30.63000      47.99579 80.05001       21.83773 19.10546 9.129081 38.06431 6.064466 -18.95885      10.95983 
1 1 1 -12 40 4  o 11.86484 5.580803 -13.95882      16.62009 1.744000       44.56534 -16.49563      17.91235 21.30942 9.705452 12.07763 5.715018 9.231789       11.26309 
1 1 1 -12 40 5  o 16.70554 6.735284 10.32198       16.95164 46.10000       45.69662 4.612862       18.25410 27.08208 11.00768 15.75233 6.718064 11.32975       12.89579 
1 1 1 -12 40 6  o 40.80147 5.145229 89.12267       20.09281 17.75000       48.21194 104.1251       22.10390 23.50142 10.44734 44.08142 5.224241 -20.58000      11.68074 
1 1 1 -12 40 7  o 37.52039 5.513484 76.48047       19.64535 55.53000       48.02755 80.69019       21.52880 28.50434 11.39024 38.26350 5.940732 -9.759163      12.84640 
1 1 1 -12 40 8  o 30.47209 6.452949 52.71260       18.64714 50.96000       46.55903 53.04744       20.35060 27.75150 11.17158 30.20502 7.017515 -2.453512      13.19279 
1 1 1 -12 40 9  o 16.50890 7.438512 -3.132234      25.34381 -37.09000      44.72868 12.92506       30.75762 17.89942 8.620462 20.24498 8.679327 -2.345554      12.23287 
1 1 1 -12 40 10 o 46.89435 4.685250 115.8923       21.21839 74.11000       49.59859 125.2520       23.47499 31.42766 11.84052 48.52017 5.015040 -17.09251      12.85879 
1 1 1 -12 40 11 o 21.81455 7.404928 27.13830       18.86205 23.14000       47.19286 27.89844       20.57705 23.95269 10.50468 22.11200 7.724902 1.840689       13.03927 
1 1 1 -12 40 12 o 49.24181 4.831875 128.1991       22.98974 48.65000       52.65977 146.9309       25.55353 27.57155 11.56678 52.58554 5.025599 -25.01399      12.61139 
1 1 1 -12 40 13 o 25.35544 9.750862 38.95679       34.07154 51.84000       48.99268 26.89000       47.41492 27.92392 11.37987 24.45135 10.62975 3.472572       15.57219 
1 1 1 -12 40 14 o 41.00628 5.863578 92.39743       22.86606 53.17000       51.58785 101.9886       25.50875 28.06684 11.58381 42.78386 6.277848 -14.71702      13.17559 
1 1 1 -12 40 15 o 30.01138 8.161300 55.45480       24.60225 0.2820000      50.50978 72.61568       28.16973 21.86411 10.09553 34.21502 8.459535 -12.35091      13.17131 
1 1 1 -12 40 16 o 42.25875 7.602527 105.2162       30.29097 0.000000       0.000000 105.2162       30.29097 ?        ?        42.25875 7.602527 ?              ?        
1 1 1 -12 40 17 o 20.60897 7.773283 22.42904       21.39002 -27.01000      48.99656 34.07005       23.77529 19.38458 9.251816 23.86224 8.305679 -4.477659      12.43304 
1 1 1 -12 40 18 o 28.29078 7.806024 48.67814       22.31987 66.58000       49.78674 44.17519       24.96970 29.87035 11.70306 26.59002 8.497132 3.280331       14.46246 
1 1 1 -12 40 19 o 25.23508 7.989940 38.79372       22.12011 64.44000       48.58778 32.08846       24.84406 29.55907 11.56712 23.31188 8.451220 6.247192       14.32555 
1 1 1 -12 40 20 o 39.14007 6.013641 85.08218       22.30318 62.21000       48.66454 91.16370       25.09373 29.18235 11.52858 40.04533 6.633933 -10.86298      13.30103 
1 1 1 -12 40 21 o 30.76864 7.214795 55.91063       21.34978 96.90000       46.93145 45.21448       23.97409 35.67775 11.67022 26.96076 8.285040 8.716993       14.31209 
1 1 1 -12 40 22 o 18.25898 7.665102 11.05232       23.14934 36.08000       43.71917 1.301415       27.28879 25.07935 10.53139 17.57574 7.833638 7.503609       13.12539 
1 1 1 -12 40 23 o 22.01211 8.035728 27.88102       22.51575 -10.50000      44.49700 41.09031       26.10431 19.74237 9.236641 25.52817 8.710516 -5.785795      12.69601 
1 1 1 -12 40 24 o 21.69349 8.939617 22.97568       30.66137 24.53000       45.37918 21.67000       41.59143 23.51031 10.30604 22.76180 9.924570 0.7485104      14.30774 
1 1 1 -12 40 25 o 21.78654 9.893856 8.798000       45.89280 8.798000       45.89280 0.000000       0.000000 21.78654 9.893856 ?        ?        ?              ?        
1 1 1 -12 40 26 o 14.77962 7.110282 -29.47840      30.23823 3.059000       45.64777 -54.92000      40.36457 21.07345 9.682117 15.52882 7.633144 5.544636       12.32916 
1 1 1 -12 40 27 f 30.96033 10.94947 72.57000       41.43002 0.000000       0.000000 72.57000       41.43002 ?        ?        30.96033 10.94947 ?              ?        
1 1 1 -12 40 28 o 14.02604 6.811412 -34.64924      29.41702 -80.09000      45.28149 -1.467000      38.69464 15.17154 7.565435 19.30474 8.885818 -4.133196      11.67020 
1 1 1 -12 40 29 o 21.99933 8.860519 27.40423       29.30440 25.77000       44.06593 28.70000       39.23826 22.97554 10.11091 22.98517 9.827442 -0.9635925E-02 14.09997 
1 1 1 -12 40 30 o 32.41488 9.356141 72.94299       31.33024 17.41000       45.43193 123.3000       43.26290 21.93690 9.914821 40.76602 10.70648 -18.82912      14.59220 
1 1 1 -12 40 31 o 21.26701 8.765085 24.62490       29.48121 -32.67000      43.49941 73.30000       40.09395 17.25436 8.356433 30.43187 10.77064 -13.17751      13.63219 
1 1 1 -12 41 1  o 14.23720 6.943521 -42.49787      31.47713 0.000000       0.000000 -42.49787      31.47713 ?        ?        14.23720 6.943521 ?              ?        
1 1 1 -12 41 2  f 20.49537 7.292852 23.00500       18.40366 -18.48000      45.86489 30.96624       20.09209 19.53765 9.214758 23.00525 7.641009 -3.467598      11.97066 
1 1 1 -12 41 3  o 23.60750 8.116494 32.99482       22.67572 -18.25000      46.02610 49.42000       26.05759 19.58557 9.235396 28.07466 8.639405 -8.489086      12.64642 
1 1 1 -12 41 4  o 34.25228 6.656498 66.86750       21.51306 66.24000       49.19466 67.01588       23.92165 30.06770 11.67529 33.70023 7.450186 -3.632530      13.84982 
1 1 1 -12 41 5  o 23.36223 7.224209 31.92660       18.19360 24.72000       46.06259 33.25868       19.80381 23.97621 10.44940 23.72667 7.565676 0.2495365      12.90075 
1 1 1 -12 41 6  o 22.81837 7.296395 30.33726       18.40914 34.84000       45.69956 29.46506       20.11324 25.26231 10.69606 22.53611 7.646620 2.726200       13.14825 
1 1 1 -12 41 7  o 33.46059 6.198213 62.81631       19.55307 32.84000       46.95038 69.10638       21.50691 25.03374 10.72765 34.89231 6.537276 -9.858574      12.56258 
1 1 1 -12 41 8  o 39.15145 5.552700 83.60773       20.68311 55.27000       48.92176 89.77528       22.82317 28.19387 11.41512 40.28270 5.968623 -12.08883      12.88136 
1 1 1 -12 41 9  o 55.93973 4.409650 163.6903       23.95007 89.69000       51.25676 184.3594       27.08912 33.64759 12.14713 59.11014 4.721161 -25.46255      13.03235 
1 1 1 -12 41 10 o 22.67690 7.555491 30.16457       19.64154 27.04000       46.16735 30.85510       21.70371 24.11183 10.48549 22.89579 7.937512 1.216042       13.15103 
1 1 1 -12 41 11 f 32.76234 7.574656 64.14132       23.80542 -35.94000      48.13921 96.53770       27.38866 18.54754 8.935247 40.83292 7.110810 -22.28538      11.41938 
1 1 1 -12 41 12 o 39.95220 6.759927 91.15878       25.49371 57.54000       50.97791 102.3706       29.43943 28.45794 11.60414 41.74012 7.480356 -13.28218      13.80622 
1 1 1 -12 41 13 o 22.11464 8.565026 26.77051       26.42348 55.07000       48.45517 14.79338       31.52297 28.03667 11.35726 20.53681 8.795175 7.499859       14.36462 
1 1 1 -12 41 14 o 19.97874 8.661666 11.58269       31.30599 0.000000       0.000000 11.58269       31.30599 ?        ?        19.97874 8.661666 ?              ?        
1 1 1 -12 41 15 o 32.77410 8.864250 68.76680       29.11662 0.000000       0.000000 68.76680       29.11662 ?        ?        32.77410 8.864250 ?              ?        
1 1 1 -12 41 16 o 25.12861 8.508739 39.15819       24.90332 24.70000       47.93681 44.50257       29.14480 23.91060 10.53315 26.32770 9.193805 -2.417105      13.98117 
1 1 1 -12 41 17 o 28.15305 7.768844 48.35968       22.10645 130.5000       48.29275 26.58497       24.86451 42.28055 11.40763 21.89460 8.352333 20.38595       14.13844 
1 1 1 -12 41 18 o 18.26700 7.515746 12.79903       21.62704 34.53000       45.31652 6.389749       24.61056 24.90113 10.60131 17.71001 7.678915 7.191114       13.09020 
1 1 1 -12 41 19 o 30.89169 7.345001 56.95939       21.88261 26.86000       45.56721 65.98152       24.94757 23.85544 10.39497 32.89763 7.855987 -9.042192      13.02965 
1 1 1 -12 41 20 o 42.63441 5.500334 99.40615       22.41955 60.08000       46.80397 111.1165       25.54033 28.52991 11.29496 44.68590 5.989871 -16.15599      12.78494 
1 1 1 -12 41 21 o 55.27468 4.445874 160.7117       23.85139 61.59000       49.36538 190.8979       27.24217 28.63481 11.51165 60.05381 4.671127 -31.41899      12.42327 
1 1 1 -12 41 22 o 24.84798 9.467224 38.96726       31.92027 44.13000       46.86612 34.50000       43.59530 26.09056 10.92647 24.59327 10.43133 1.497288       15.10630 
1 1 1 -12 41 23 o 23.11573 10.20123 22.85000       45.15308 22.85000       45.15308 0.000000       0.000000 23.11573 10.20123 ?        ?        ?              ?        
1 1 1 -12 41 24 o 21.23787 8.908399 21.22022       31.22892 -3.091000      43.28206 47.62000       45.10292 19.96824 9.263796 26.27418 10.83636 -6.305946      14.25639 
1 1 1 -12 41 25 o 35.86964 9.101188 85.23217       32.00076 48.31000       45.98573 119.9000       44.55976 26.23959 10.89300 40.17541 11.00750 -13.93582      15.48621 
1 1 1 -12 41 26 o 23.23601 10.08165 28.89000       42.47914 0.000000       0.000000 28.89000       42.47914 ?        ?        23.23601 10.08165 ?              ?        
1 1 1 -12 41 27 o 23.63238 9.133568 35.95229       30.00087 46.00000       42.98576 26.41000       41.89069 25.49081 10.55238 22.70350 9.928429 2.787313       14.48884 
1 1 1 -12 41 28 o 22.36043 8.968778 30.10485       29.89287 14.80000       43.89653 43.34000       40.82066 21.43005 9.709848 24.96065 10.30329 -3.530598      14.15765 
1 1 1 -12 42 1  o 17.55547 7.782876 2.405203       26.57440 26.37000       46.37984 -9.307723      32.42463 23.96429 10.46402 17.45541 8.070068 6.508879       13.21445 
1 1 1 -12 42 2  o 17.19376 7.678642 0.3874549      26.35625 -7.226000      45.99805 4.108831       32.15884 20.35267 9.478708 19.05200 8.496985 1.300671       12.72968 
1 1 1 -12 42 3  o 56.07087 4.370317 164.5192       23.79661 69.37000       52.80107 188.7716       26.65738 29.97902 11.95509 59.89147 4.582014 -29.91246      12.80308 
1 1 1 -12 42 4  o 19.59862 7.760523 18.29209       22.09892 0.000000       0.000000 18.29209       22.09892 ?        ?        19.59862 7.760523 ?              ?        
1 1 1 -12 42 5  o 39.29995 7.231768 90.38059       26.79429 7.563000       47.89828 128.1000       32.32519 22.01203 10.03947 46.87031 7.282197 -24.85828      12.40248 
1 1 1 -12 42 6  o 48.55795 4.852366 125.5159       22.75469 49.13000       49.70041 145.7738       25.59478 27.05455 11.28537 52.16304 5.076983 -25.10849      12.37478 
1 1 1 -12 42 7  o 53.05460 4.455758 147.8420       22.92574 110.0000       51.34468 157.2652       25.62164 37.12550 12.21010 54.37981 4.864857 -17.25430      13.14357 
1 1 1 -12 42 8  o 20.39091 7.442149 22.80437       19.31058 41.81000       45.64217 18.66057       21.31200 25.90443 10.81091 19.54708 7.657378 6.357353       13.24806 
1 1 1 -12 42 9  o 12.60874 5.932273 -14.58435      18.80134 26.97000       45.21819 -23.26997      20.67309 23.87024 10.37882 12.30383 5.908834 11.56642       11.94296 
1 1 1 -12 42 10 o 17.87532 7.431131 11.21544       21.44392 14.70000       45.33865 10.21130       24.33829 22.41862 10.03730 18.32231 7.783679 4.096308       12.70170 
1 1 1 -12 42 11 o 21.71476 7.693107 27.17141       20.45929 -1.037000      45.48551 34.32598       22.90739 20.78365 9.590801 23.78879 8.158571 -3.005136      12.59149 
1 1 1 -12 42 12 o 20.39975 7.664360 22.36758       20.75002 -35.64000      45.69541 37.43595       23.28967 17.98621 8.675008 24.65327 8.227594 -6.667057      11.95613 
1 1 1 -12 42 13 o 24.43386 8.232353 36.68086       23.31127 0.000000       0.000000 36.68086       23.31127 ?        ?        24.43386 8.232353 ?              ?        
1 1 1 -12 42 14 o 31.62340 8.624577 63.75761       27.42817 44.72000       46.02203 74.24442       34.15713 26.25494 10.89816 32.95801 9.839726 -6.703068      14.68298 
1 1 1 -12 42 15 o 15.96638 7.162389 -1.548229      23.20840 12.23000       44.12546 -6.817489      27.28773 21.86229 9.835926 16.36436 7.506474 5.497936       12.37306 
1 1 1 -12 42 16 o 11.30257 5.602314 -45.87306      23.38056 -79.84000      44.79161 -33.15206      27.41126 15.18303 7.563681 13.62480 6.606861 1.558229       10.04290 
1 1 1 -12 42 17 o 28.07917 7.805431 48.71750       22.22495 114.0000       48.69791 31.54277       24.97795 38.13577 11.82362 22.94581 8.449376 15.18996       14.53238 
1 1 1 -12 42 18 o 21.49891 7.897326 26.51200       21.79891 -3.321000      44.19435 36.10396       25.05948 20.20396 9.368929 24.10781 8.516663 -3.903851      12.66137 
1 1 1 -12 42 19 o 15.94026 7.026331 1.758970       21.36153 -39.59000      43.34067 15.02679       24.55065 17.12817 8.306155 19.17828 7.960168 -2.050112      11.50463 
1 1 1 -12 42 20 o 35.93507 6.563981 74.53445       22.23780 91.19000       47.10630 69.75825       25.22558 33.62228 11.69171 33.67204 7.805972 -0.4975891E-01 14.05807 
1 1 1 -12 42 21 o 20.15797 7.988291 20.99069       23.43232 -2.851000      44.23324 30.29143       27.62733 20.06424 9.327705 22.59515 8.756095 -2.530909      12.79356 
1 1 1 -12 42 22 o 19.94417 9.204958 0.4055000      41.92456 0.4055000      41.92456 0.000000       0.000000 19.94417 9.204958 ?        ?        ?              ?        
1 1 1 -12 42 23 o 27.42251 9.552616 52.77929       31.45332 18.58000       44.44235 87.10000       44.52118 22.08027 9.907698 32.73809 11.36741 -10.65782      15.07914 
1 1 1 -12 42 24 o 19.47970 9.065839 -2.288000      41.96296 0.000000       0.000000 -2.288000      41.96296 ?        ?        19.47970 9.065839 ?              ?        
1 1 1 -12 42 25 o 17.74274 8.020654 2.291043       29.74713 -19.98000      41.73014 25.30000       42.41583 17.81415 8.512146 22.40704 9.887885 -4.592890      13.04710 
1 1 1 -12 42 26 o 24.07238 9.183792 39.18679       30.06278 24.83000       42.31394 53.82000       42.71934 22.25003 9.844654 26.34571 10.66693 -4.095682      14.51553 
1 1 1 -12 43 1  o 18.66656 7.220027 16.99612       18.75782 12.71000       41.68946 18.08409       21.00403 21.62474 9.657410 19.30997 7.590659 2.314762       12.28347 
1 1 1 -12 43 2  o 16.79761 6.950438 9.574652       18.63674 14.88000       42.36758 8.301793       20.75233 21.97035 9.778566 17.06072 7.214903 4.909622       12.15217 
1 1 1 -12 43 3  o 16.17668 7.377180 -5.351241      25.85346 -7.441000      41.47542 -4.023246      33.06290 19.43365 9.033768 18.12437 8.294681 1.309278       12.26420 
1 1 1 -12 43 4  o 24.62256 7.278501 36.34490       18.76355 89.73000       43.69580 24.27535       20.77663 34.45860 11.26007 20.87819 7.702933 13.58042       13.64274 
1 1 1 -12 43 5  o 16.64759 7.056255 7.365107       19.92519 -4.508000      42.30735 10.74926       22.58700 19.85642 9.193481 17.98705 7.562449 1.869370       11.90423 
1 1 1 -12 43 6  o 17.65434 7.492610 9.167814       22.51463 0.000000       0.000000 9.167814       22.51463 ?        ?        17.65434 7.492610 ?              ?        
1 1 1 -12 43 7  o 16.52427 7.030020 6.838905       19.90301 0.000000       0.000000 6.838905       19.90301 ?        ?        16.52427 7.030020 ?              ?        
1 1 1 -12 43 8  f 29.65719 7.734989 53.95594       22.68398 -13.21000      43.27756 79.39874       26.63610 19.17790 9.015905 36.18385 7.753776 -17.00595      11.89149 
1 1 1 -12 43 9  o 49.28987 5.475286 132.7300       25.97103 111.8000       48.06864 141.3586       30.86357 37.81702 11.75061 49.89843 6.471346 -12.08141      13.41474 
1 1 1 -12 43 10 o 15.49079 6.748604 2.876232       19.19693 -53.98000      42.26904 17.65096       21.54732 15.97450 7.843974 19.21811 7.645883 -3.243608      10.95388 
1 1 1 -12 43 11 o 25.61037 8.369534 41.58015       24.14098 0.000000       0.000000 41.58015       24.14098 ?        ?        25.61037 8.369534 ?              ?        
1 1 1 -12 43 12 o 38.09843 7.249197 86.03088       26.04614 0.000000       0.000000 86.03088       26.04614 ?        ?        38.09843 7.249197 ?              ?        
1 1 1 -12 43 13 o 33.25885 6.928602 65.03790       21.82266 45.22000       45.22206 71.05385       24.91572 26.00230 10.79899 34.19140 7.637681 -8.189102      13.22696 
1 1 1 -12 43 14 f 20.74356 8.378204 21.62143       26.28172 16.41000       43.09313 24.70787       33.16337 22.06428 9.838507 22.10081 9.218767 -0.3653145E-01 13.48265 
1 1 1 -12 43 15 o 13.37356 6.303121 -15.58735      21.39197 -42.27000      42.75910 -6.679348      24.70611 16.77448 8.161180 15.58493 7.146577 1.189550       10.84797 
1 1 1 -12 43 16 o 16.11762 7.546987 -13.40577      29.80882 0.000000       0.000000 -13.40577      29.80882 ?        ?        16.11762 7.546987 ?              ?        
1 1 1 -12 43 17 o 27.78592 7.787769 48.34787       22.02682 60.18000       43.15050 44.17822       25.61561 28.12050 10.93027 26.00572 8.627290 2.114782       13.92484 
1 1 1 -12 43 18 o 24.46842 7.983053 37.76281       21.96735 -34.11000      42.80320 63.46271       25.59526 17.19036 8.316749 31.50925 8.215547 -14.31890      11.69032 
1 1 1 -12 43 19 o 19.09360 7.607135 18.14398       21.35907 55.62000       43.38256 6.153180       24.53932 27.08815 10.82507 17.32431 7.586935 9.763840       13.21906 
1 1 1 -12 43 20 o 19.12990 8.386528 11.12509       30.05507 -14.69000      42.10622 37.94000       42.91386 18.40052 8.723221 24.25180 10.32036 -5.851280      13.51312 
1 1 1 -12 43 21 o 19.72008 8.554111 15.00398       30.56679 76.64000       43.01465 -47.87000      43.44448 30.50299 11.11120 16.24485 7.971772 14.25813       13.67508 
1 1 1 -12 43 22 o 16.41590 7.646383 -8.643990      29.95056 -76.91000      42.45218 59.01000       42.26145 14.48255 7.237784 27.24641 10.74974 -12.76387      12.95926 
1 1 1 -12 43 23 o 17.46884 8.370120 -21.15000      40.95454 0.000000       0.000000 -21.15000      40.95454 ?        ?        17.46884 8.370120 ?              ?        
1 1 1 -12 44 1  o 29.55682 6.938698 51.86470       19.72848 77.14000       42.36673 44.86655       22.29298 31.64429 11.08236 26.74960 7.940260 4.894695       13.63328 
1 1 1 -12 44 2  o 21.56812 7.425606 27.40837       18.98174 -1.393000      40.77056 35.37907       21.44808 19.71517 9.091432 23.93360 7.892570 -4.218428      12.03938 
1 1 1 -12 44 3  o 13.46840 6.153069 -6.256697      18.08943 -70.01000      40.24310 9.886731       20.25060 14.58320 7.249102 17.16750 7.185493 -2.584302      10.20690 
1 1 1 -12 44 4  o 19.35762 8.174298 14.47239       26.57461 14.28000       41.68458 14.60413       34.49291 21.57390 9.644225 20.64195 9.018437 0.9319477      13.20391 
1 1 1 -12 44 5  o 24.30685 7.458364 36.02431       19.43755 59.17000       42.44808 29.88334       21.86459 28.21844 10.87539 22.33820 7.949015 5.880245       13.47074 
1 1 1 -12 44 6  o 15.79613 6.878040 3.522110       19.91838 11.35000       41.78860 1.220851       22.65782 21.24734 9.564506 16.16859 7.176265 5.078753       11.95736 
1 1 1 -12 44 7  o 24.35290 8.265964 37.22405       23.50354 23.91000       42.85910 42.95000       28.10682 22.86975 10.02078 25.61647 9.022258 -2.746719      13.48396 
1 1 1 -12 44 8  o 14.36187 6.476995 -3.318305      19.26547 18.72000       42.22664 -9.111576      21.65008 22.13971 9.813209 14.28672 6.601286 7.852993       11.82692 
1 1 1 -12 44 9  o 28.08239 8.088127 50.04268       23.43719 0.000000       0.000000 50.04268       23.43719 ?        ?        28.08239 8.088127 ?              ?        
1 1 1 -12 44 10 o 38.90648 7.476322 91.39614       27.43757 0.000000       0.000000 91.39614       27.43757 ?        ?        38.90648 7.476322 ?              ?        
1 1 1 -12 44 11 o 21.06900 8.511733 23.65748       27.13353 -7.351000      42.51350 44.97000       35.24553 19.27706 9.022017 25.60415 9.898664 -6.327087      13.39329 
1 1 1 -12 44 12 f 17.75192 7.417496 11.80677       21.52450 4.222000       42.53825 14.41713       24.95502 20.36136 9.351852 18.92389 7.952218 1.437469       12.27579 
1 1 1 -12 44 13 o 17.91408 7.392099 13.16491       21.00229 -15.47000      41.83710 22.81224       24.28384 18.38392 8.709461 20.53675 8.134130 -2.152824      11.91716 
1 1 1 -12 44 14 o 43.16323 5.722880 104.2818       23.58359 97.15000       44.99106 106.9838       27.69311 34.53337 11.43286 42.61057 6.873527 -8.077206      13.34000 
1 1 1 -12 44 15 o 20.56022 8.240701 22.93563       25.21735 20.15000       41.07314 24.62095       31.94757 21.77568 9.663631 21.52945 9.019151 0.2462273      13.21858 
1 1 1 -12 44 16 o 19.77088 8.086202 19.63094       24.84555 41.65000       42.17938 7.931493       30.74563 24.63846 10.34513 18.71892 8.330841 5.919540       13.28249 
1 1 1 -12 44 17 o 12.51943 6.105752 -32.19699      24.33941 -97.22000      40.68937 4.032695       30.37244 13.23504 6.677072 18.05396 8.138142 -4.818924      10.52676 
1 1 1 -12 44 18 o 21.67219 7.894948 29.12539       21.71716 19.19000       42.62000 32.60976       25.23962 21.52640 9.677266 22.56635 8.458274 -1.039951      12.85270 
1 1 1 -12 44 19 o 26.08362 10.68826 52.97000       43.51111 52.97000       43.51111 0.000000       0.000000 26.08362 10.68826 ?        ?        ?              ?        
1 1 1 -12 45 1  f 27.21911 7.359220 45.77634       20.07300 17.33000       41.39934 54.51923       22.95132 21.55334 9.624756 29.35958 7.839197 -7.806242      12.41326 
1 1 1 -12 45 2  o 27.43001 7.307519 46.35032       19.97164 -31.47000      41.69658 69.51895       22.75119 17.07034 8.246457 34.03949 7.060098 -16.96915      10.85583 
1 1 1 -12 45 3  o 26.12411 7.382642 42.30324       19.70993 25.72000       42.10835 46.95594       22.30417 22.63641 9.925182 27.12772 7.913119 -4.491308      12.69357 
1 1 1 -12 45 4  o 20.96135 7.515152 26.02931       19.57996 -23.45000      42.02642 39.74677       22.12826 17.70860 8.483386 24.92470 8.002553 -7.216103      11.66228 
1 1 1 -12 45 5  o 16.17373 7.447156 -5.933169      27.21152 -14.49000      41.23374 0.6685732      36.21809 18.26980 8.652752 18.85086 8.647402 -0.5810566     12.23306 
1 1 1 -12 45 6  o 18.99017 7.572742 18.09806       21.18519 -6.290000      40.70642 27.15754       24.80995 18.88734 8.835910 21.46500 8.303203 -2.577662      12.12504 
1 1 1 -12 45 7  o 24.36115 7.833658 37.73307       21.19838 51.75000       41.88443 32.90615       24.57881 26.28205 10.59034 22.82878 8.385783 3.453262       13.50839 
1 1 1 -12 45 8  o 23.51417 8.662098 35.89713       26.25582 0.000000       0.000000 35.89713       26.25582 ?        ?        23.51417 8.662098 ?              ?        
1 1 1 -12 45 9  o 23.51499 8.654016 36.06729       26.19631 0.000000       0.000000 36.06729       26.19631 ?        ?        23.51499 8.654016 ?              ?        
1 1 1 -12 45 10 o 19.22105 7.525715 19.74046       20.57638 -50.85000      42.33712 41.57110       23.54407 15.81275 7.781510 25.12474 8.268472 -9.311989      11.35427 
1 1 1 -12 45 11 o 22.04007 7.920552 30.37827       21.76362 27.35000       43.37941 31.39690       25.15910 22.58902 9.982486 22.30468 8.426487 0.2843399      13.06353 
1 1 1 -12 45 12 o 22.53509 7.901232 32.29530       21.53923 -47.51000      43.90633 57.58842       24.71795 16.24027 7.978487 29.50253 8.242886 -13.26226      11.47177 
1 1 1 -12 45 13 o 20.08167 8.227362 21.51733       25.77560 0.000000       0.000000 21.51733       25.77560 ?        ?        20.08167 8.227362 ?              ?        
1 1 1 -12 45 14 f 15.83823 7.025658 2.672800       21.68617 -17.22000      41.97448 9.916235       25.32851 17.92018 8.555734 17.88181 7.771478 0.3836632E-01  11.55839 
1 1 1 -12 45 15 o 18.67920 8.341388 9.113873       31.09590 -16.00000      41.95392 39.73000       46.32238 17.91378 8.552942 23.92958 10.45302 -6.015799      13.50624 
1 1 1 -12 46 1  o 21.69449 7.858628 29.58373       21.47654 4.232000       41.99816 38.56057       24.99127 19.72805 9.143017 23.94205 8.500578 -4.213997      12.48417 
1 1 1 -12 46 2  o 20.75090 7.771315 26.08420       21.29704 51.53000       44.19318 18.38729       24.30554 25.58570 10.65478 19.23024 7.945354 6.355459       13.29108 
1 1 1 -12 46 3  o 20.95884 7.748331 26.88428       21.04067 27.11000       42.15756 26.80940       24.28106 22.25684 9.838053 21.05604 8.195029 1.200806       12.80413 
1 1 1 -12 46 4  o 30.16963 8.466279 61.44941       26.01530 27.89000       43.53457 80.09000       32.44569 22.44372 9.955137 33.33102 9.489996 -10.88730      13.75372 
1 1 1 -12 46 5  o 20.69907 7.881679 25.72550       22.11530 16.90000       42.64544 28.97205       25.86507 21.12204 9.570365 21.61941 8.445546 -0.4973698     12.76398 
1 1 1 -12 46 6  o 28.11964 9.739191 59.35470       32.67120 58.37000       44.73755 60.48000       47.82492 26.61897 10.86450 26.74551 11.10635 -0.1265392     15.53668 
1 1 1 -12 46 7  o 18.91254 7.980896 16.20882       25.30388 0.000000       0.000000 16.20882       25.30388 ?        ?        18.91254 7.980896 ?              ?        
1 1 1 -12 46 8  o 18.04386 8.605206 -14.04000      42.21495 -14.04000      42.21495 0.000000       0.000000 18.04386 8.605206 ?        ?        ?              ?        
1 1 1 -11 0  1  o 165.7979 7.246889 1354.000       117.0954 1354.000       117.0954 1354.000       117.0954 165.7979 7.246889 165.7979 7.246889 0.000000       0.000000 
1 1 1 -11 0  2  o 374.1956 14.30754 6902.000       522.3040 6902.000       522.3040 6902.000       522.3040 374.1956 14.30754 374.1956 14.30754 0.000000       0.000000 
1 1 1 -11 0  3  o 306.0902 11.89344 4615.000       355.1149 4615.000       355.1149 4615.000       355.1149 306.0902 11.89344 306.0902 11.89344 0.000000       0.000000 
1 1 1 -11 0  4  o 502.6514 13.33686 12422.06       655.1415 12422.06       655.1415 12422.06       655.1415 502.6514 13.33686 502.6514 13.33686 0.000000       0.000000 
1 1 1 -11 0  5  o 879.5389 23.17093 38224.47       1991.696 38224.47       1991.696 38224.47       1991.696 879.5389 23.17093 879.5389 23.17093 0.000000       0.000000 
1 1 1 -11 0  6  o 247.8055 6.985278 3014.616       169.1297 3014.616       169.1297 3014.616       169.1297 247.8055 6.985278 247.8055 6.985278 0.000000       0.000000 
1 1 1 -11 0  7  o 430.2715 11.49520 9097.530       483.3525 9097.530       483.3525 9097.530       483.3525 430.2715 11.49520 430.2715 11.49520 0.000000       0.000000 
1 1 1 -11 0  8  o 589.9076 15.59175 17128.94       898.8736 17128.94       898.8736 17128.94       898.8736 589.9076 15.59175 589.9076 15.59175 0.000000       0.000000 
1 1 1 -11 0  9  o 834.1399 21.98576 34379.57       1792.273 34379.57       1792.273 34379.57       1792.273 834.1399 21.98576 834.1399 21.98576 0.000000       0.000000 
1 1 1 -11 0  10 o 115.3793 4.597621 654.8475       51.73623 654.8475       51.73623 654.8475       51.73623 115.3793 4.597621 115.3793 4.597621 0.000000       0.000000 
1 1 1 -11 0  11 o 261.4249 7.346976 3355.818       187.6659 3355.818       187.6659 3355.818       187.6659 261.4249 7.346976 261.4249 7.346976 0.000000       0.000000 
1 1 1 -11 0  12 o 8.122467 5.883645 -50.45394      25.06541 -50.45394      25.06541 -50.45394      25.06541 8.122467 5.883645 8.122467 5.883645 0.000000       0.000000 
1 1 1 -11 0  13 o 716.2097 18.92423 25342.58       1324.582 25342.58       1324.582 25342.58       1324.582 716.2097 18.92423 716.2097 18.92423 0.000000       0.000000 
1 1 1 -11 0  14 o 309.5190 8.514372 4707.043       257.5150 4707.043       257.5150 4707.043       257.5150 309.5190 8.514372 309.5190 8.514372 0.000000       0.000000 
1 1 1 -11 0  15 o 157.4653 5.173109 1218.254       79.53870 1218.254       79.53870 1218.254       79.53870 157.4653 5.173109 157.4653 5.173109 0.000000       0.000000 
1 1 1 -11 0  16 o 26.26373 10.91984 47.59187       27.98899 47.59187       27.98899 47.59187       27.98899 26.26373 10.91984 26.26373 10.91984 0.000000       0.000000 
1 1 1 -11 0  17 o 226.4151 6.567989 2518.570       145.2834 2518.570       145.2834 2518.570       145.2834 226.4151 6.567989 226.4151 6.567989 0.000000       0.000000 
1 1 1 -11 0  18 o 54.09261 5.979832 148.5419       30.67494 148.5419       30.67494 148.5419       30.67494 54.09261 5.979832 54.09261 5.979832 0.000000       0.000000 
1 1 1 -11 0  19 f 129.4005 4.769282 823.5276       60.22163 823.5276       60.22163 823.5276       60.22163 129.4005 4.769282 129.4005 4.769282 0.000000       0.000000 
1 1 1 -11 0  20 o 26.18545 10.62688 46.88108       26.67388 46.88108       26.67388 46.88108       26.67388 26.18545 10.62688 26.18545 10.62688 0.000000       0.000000 
1 1 1 -11 0  21 o 29.61589 10.33597 56.30203       27.09392 56.30203       27.09392 56.30203       27.09392 29.61589 10.33597 29.61589 10.33597 0.000000       0.000000 
1 1 1 -11 0  22 o 268.7322 7.569546 3552.339       198.7540 3552.339       198.7540 3552.339       198.7540 268.7322 7.569546 268.7322 7.569546 0.000000       0.000000 
1 1 1 -11 0  23 o 296.3128 8.232062 4321.761       238.3453 4321.761       238.3453 4321.761       238.3453 296.3128 8.232062 296.3128 8.232062 0.000000       0.000000 
1 1 1 -11 0  24 o 19.23423 10.45847 25.63272       27.78291 25.63272       27.78291 25.63272       27.78291 19.23423 10.45847 19.23423 10.45847 0.000000       0.000000 
1 1 1 -11 0  25 o 22.72868 12.13039 36.56000       36.72927 36.56000       36.72927 36.56000       36.72927 22.72868 12.13039 22.72868 12.13039 0.000000       0.000000 
1 1 1 -11 0  26 o 32.93107 14.47252 76.96000       48.78217 76.96000       48.78217 76.96000       48.78217 32.93107 14.47252 32.93107 14.47252 0.000000       0.000000 
1 1 1 -11 0  27 o 154.1926 5.268650 1169.759       79.30796 1169.759       79.30796 1169.759       79.30796 154.1926 5.268650 154.1926 5.268650 0.000000       0.000000 
1 1 1 -11 0  28 o 224.2007 6.595508 2474.115       144.4574 2474.115       144.4574 2474.115       144.4574 224.2007 6.595508 224.2007 6.595508 0.000000       0.000000 
1 1 1 -11 0  29 o 61.71130 5.673354 191.5098       33.56824 191.5098       33.56824 191.5098       33.56824 61.71130 5.673354 61.71130 5.673354 0.000000       0.000000 
1 1 1 -11 0  30 o 24.41722 13.39612 41.44000       46.00792 41.44000       46.00792 41.44000       46.00792 24.41722 13.39612 24.41722 13.39612 0.000000       0.000000 
1 1 1 -11 0  31 o 31.39113 14.46856 71.50000       48.83102 71.50000       48.83102 71.50000       48.83102 31.39113 14.46856 31.39113 14.46856 0.000000       0.000000 
1 1 1 -11 0  32 o 56.34988 6.089209 161.4027       32.59455 161.4027       32.59455 161.4027       32.59455 56.34988 6.089209 56.34988 6.089209 0.000000       0.000000 
1 1 1 -11 0  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 0  34 o 13.63007 9.093923 -10.33000      33.07464 -10.33000      33.07464 -10.33000      33.07464 13.63007 9.093923 13.63007 9.093923 0.000000       0.000000 
1 1 1 -11 0  35 f 12.82618 8.735945 -18.80000      33.68209 -18.80000      33.68209 -18.80000      33.68209 12.82618 8.735945 12.82618 8.735945 0.000000       0.000000 
1 1 1 -11 0  36 o 167.5905 5.519698 1388.161       90.32356 1388.161       90.32356 1388.161       90.32356 167.5905 5.519698 167.5905 5.519698 0.000000       0.000000 
1 1 1 -11 0  37 o 72.31573 5.488828 262.2026       38.32502 262.2026       38.32502 262.2026       38.32502 72.31573 5.488828 72.31573 5.488828 0.000000       0.000000 
1 1 1 -11 0  38 o 11.41936 7.861474 -20.35646      28.95525 -20.35646      28.95525 -20.35646      28.95525 11.41936 7.861474 11.41936 7.861474 0.000000       0.000000 
1 1 1 -11 0  39 o 64.21459 5.837842 208.8829       35.96079 208.8829       35.96079 208.8829       35.96079 64.21459 5.837842 64.21459 5.837842 0.000000       0.000000 
1 1 1 -11 0  40 o 54.50217 6.681554 153.9272       34.21270 153.9272       34.21270 153.9272       34.21270 54.50217 6.681554 54.50217 6.681554 0.000000       0.000000 
1 1 1 -11 0  41 o 51.63839 7.228339 140.3062       34.48496 140.3062       34.48496 140.3062       34.48496 51.63839 7.228339 51.63839 7.228339 0.000000       0.000000 
1 1 1 -11 0  42 o 10.90195 7.632513 -29.73708      30.46122 -29.73708      30.46122 -29.73708      30.46122 10.90195 7.632513 10.90195 7.632513 0.000000       0.000000 
1 1 1 -11 0  43 o 71.87598 5.954362 261.9384       41.20677 261.9384       41.20677 261.9384       41.20677 71.87598 5.954362 71.87598 5.954362 0.000000       0.000000 
1 1 1 -11 0  44 o 110.1835 5.164602 606.0677       55.42080 606.0677       55.42080 606.0677       55.42080 110.1835 5.164602 110.1835 5.164602 0.000000       0.000000 
1 1 1 -11 0  45 o 107.5887 5.233503 579.4254       54.81581 579.4254       54.81581 579.4254       54.81581 107.5887 5.233503 107.5887 5.233503 0.000000       0.000000 
1 1 1 -11 0  46 o 86.91033 5.584719 381.7064       47.05360 381.7064       47.05360 381.7064       47.05360 86.91033 5.584719 86.91033 5.584719 0.000000       0.000000 
1 1 1 -11 0  47 o 70.00632 6.193059 251.7657       41.63872 251.7657       41.63872 251.7657       41.63872 70.00632 6.193059 70.00632 6.193059 0.000000       0.000000 
1 1 1 -11 0  48 o 33.98568 15.34190 93.72000       54.81120 93.72000       54.81120 93.72000       54.81120 33.98568 15.34190 33.98568 15.34190 0.000000       0.000000 
1 1 1 -11 0  49 o 51.68468 12.93208 166.0000       56.59598 166.0000       56.59598 166.0000       56.59598 51.68468 12.93208 51.68468 12.93208 0.000000       0.000000 
1 1 1 -11 0  50 o 19.48507 11.03539 28.84976       32.43568 28.84976       32.43568 28.84976       32.43568 19.48507 11.03539 19.48507 11.03539 0.000000       0.000000 
1 1 1 -11 0  51 o 20.81314 12.18169 32.73000       41.52016 32.73000       41.52016 32.73000       41.52016 20.81314 12.18169 20.81314 12.18169 0.000000       0.000000 
1 1 1 -11 0  52 o 14.20577 9.282225 0.7980241      31.72134 0.7980241      31.72134 0.7980241      31.72134 14.20577 9.282225 14.20577 9.282225 0.000000       0.000000 
1 1 1 -11 0  53 o 45.49269 8.932643 118.8755       35.40266 118.8755       35.40266 118.8755       35.40266 45.49269 8.932643 45.49269 8.932643 0.000000       0.000000 
1 1 1 -11 0  54 o 13.29274 8.874507 -5.466755      31.58513 -5.466755      31.58513 -5.466755      31.58513 13.29274 8.874507 13.29274 8.874507 0.000000       0.000000 
1 1 1 -11 0  55 o 53.74929 7.442403 156.9474       37.01629 156.9474       37.01629 156.9474       37.01629 53.74929 7.442403 53.74929 7.442403 0.000000       0.000000 
1 1 1 -11 0  56 o 36.26786 13.91050 100.0000       46.65558 100.0000       46.65558 100.0000       46.65558 36.26786 13.91050 36.26786 13.91050 0.000000       0.000000 
1 1 1 -11 0  57 o 61.28173 6.513571 198.2786       37.96157 198.2786       37.96157 198.2786       37.96157 61.28173 6.513571 61.28173 6.513571 0.000000       0.000000 
1 1 1 -11 0  58 o 16.72488 10.24336 17.33246       32.07420 17.33246       32.07420 17.33246       32.07420 16.72488 10.24336 16.72488 10.24336 0.000000       0.000000 
1 1 1 -11 0  59 o 11.09546 7.779450 -27.91831      31.98801 -27.91831      31.98801 -27.91831      31.98801 11.09546 7.779450 11.09546 7.779450 0.000000       0.000000 
1 1 1 -11 0  60 o 11.79174 8.179312 -21.41119      32.83731 -21.41119      32.83731 -21.41119      32.83731 11.79174 8.179312 11.79174 8.179312 0.000000       0.000000 
1 1 1 -11 0  61 o 12.22494 8.707071 -50.91000      45.63802 -50.91000      45.63802 -50.91000      45.63802 12.22494 8.707071 12.22494 8.707071 0.000000       0.000000 
1 1 1 -11 1  1  o 451.0132 12.01090 10001.66       529.7661 10260.00       762.8348 9761.000       736.2757 455.7196 17.13170 444.5273 16.95245 11.19232       24.10147 
1 1 1 -11 1  2  o 509.0578 13.50361 12755.06       672.2637 12230.00       922.3828 13350.00       981.8503 497.0802 18.99232 519.2634 19.35137 -22.18320      27.11428 
1 1 1 -11 1  3  o 350.3671 9.466691 6027.151       324.3617 5674.000       439.8829 6448.000       480.1971 339.4113 13.26605 361.8000 13.58366 -22.38870      18.98694 
1 1 1 -11 1  4  o 368.9616 8.091262 6674.690       292.2158 6645.017       356.9358 6735.000       508.8634 367.8390 9.922544 369.6769 14.08861 -1.837921      17.23212 
1 1 1 -11 1  5  o 349.5313 6.664381 5986.766       228.0090 6016.980       323.7713 5957.039       321.1515 350.0633 9.457659 348.3176 9.428183 1.745758       13.35432 
1 1 1 -11 1  6  o 352.9713 6.725600 6105.446       232.3681 6096.179       328.1823 6114.762       329.0558 352.3465 9.524399 352.8821 9.535245 -0.5356445     13.47721 
1 1 1 -11 1  7  o 565.9670 10.54899 15728.04       584.3974 15760.58       827.5483 15695.67       825.3815 565.4271 14.96554 564.2631 14.95719 1.164063       21.15857 
1 1 1 -11 1  8  f 128.4335 3.253321 808.0717       40.86595 836.1890       58.46412 781.2092       57.14483 130.5900 4.580852 126.2156 4.633354 4.374451       6.515533 
1 1 1 -11 1  9  o 172.7047 3.787432 1460.426       64.02584 1486.077       91.41615 1435.729       89.70065 174.0927 5.371009 171.1159 5.362107 2.976837       7.589461 
1 1 1 -11 1  10 o 337.3133 6.463496 5576.162       213.4063 5557.813       301.1680 5594.666       302.4401 336.4038 9.154731 337.5170 9.163036 -1.113190      12.95262 
1 1 1 -11 1  11 o 302.8265 5.873155 4493.481       174.0891 4556.780       248.5221 4432.495       243.9402 304.6537 8.341829 300.4717 8.302140 4.182007       11.76910 
1 1 1 -11 1  12 o 284.7702 5.570138 3973.497       155.2625 3937.032       218.1854 4010.906       220.9902 283.1862 7.878975 285.8297 7.906365 -2.643433      11.16194 
1 1 1 -11 1  13 f 114.6142 3.262065 643.7187       36.55907 638.3671       51.47134 649.1674       51.93645 114.0642 4.619652 115.0265 4.622251 -0.9622650     6.535012 
1 1 1 -11 1  14 o 265.3062 5.248269 3449.208       136.2918 3462.219       193.1785 3436.314       192.3158 265.5336 7.439800 264.5382 7.434489 0.9954224      10.51771 
1 1 1 -11 1  15 o 343.5070 6.589934 5787.606       221.5761 5791.322       313.3947 5783.893       313.3171 343.1134 9.340109 342.8923 9.343832 0.2210388      13.21154 
1 1 1 -11 1  16 o 186.5193 4.025220 1704.179       73.48854 1687.911       103.3033 1720.846       104.5651 185.4562 5.697472 187.2572 5.711497 -1.801041      8.067366 
1 1 1 -11 1  17 o 223.1346 4.569904 2439.896       99.81140 2435.871       140.9620 2443.943       141.3481 222.7124 6.473101 223.0806 6.480109 -0.3682098     9.159304 
1 1 1 -11 1  18 o 143.2071 3.472868 1004.535       48.68096 1018.175       69.17524 991.1522       68.51999 144.0330 4.913814 142.1050 4.933567 1.928040       6.963164 
1 1 1 -11 1  19 o 180.6380 3.943352 1598.829       69.72377 1562.697       97.32465 1636.926       99.93579 178.3942 5.580466 182.5841 5.598419 -4.189880      7.904675 
1 1 1 -11 1  20 o 299.2886 5.835608 4395.885       170.9553 4440.203       243.3730 4352.718       240.1930 300.2636 8.288559 297.2946 8.262061 2.969025       11.70307 
1 1 1 -11 1  21 o 127.8518 3.357672 801.3333       41.98317 790.9713       58.75831 812.1406       60.00775 126.9168 4.738132 128.6030 4.775348 -1.686142      6.727098 
1 1 1 -11 1  22 o 67.04602 4.144269 221.1950       27.06445 184.3000       43.87241 243.8612       34.38724 60.74444 7.540508 70.32592 5.028648 -9.581478      9.063475 
1 1 1 -11 1  23 o 201.6922 4.266297 1994.608       84.22606 2037.219       120.5993 1954.033       117.6815 203.5550 6.059554 199.3554 6.037746 4.199615       8.554097 
1 1 1 -11 1  24 o 306.4301 6.901236 4619.156       206.9972 4602.395       253.1154 4653.000       359.6788 305.3626 8.476505 305.7327 12.04251 -0.3701172     14.72661 
1 1 1 -11 1  25 o 272.6510 6.263330 3654.485       167.1547 3822.000       298.8753 3578.237       201.6391 277.3267 11.03214 269.3899 7.654695 7.936798       13.42767 
1 1 1 -11 1  26 o 236.9630 4.836553 2755.849       112.1819 2623.844       154.0625 2904.834       163.6714 230.7983 6.827093 242.8375 6.892715 -12.03920      9.701480 
1 1 1 -11 1  27 o 235.6009 5.589200 2727.704       128.8940 2717.279       157.3099 2749.000       224.8385 234.8128 6.851612 235.3400 9.781746 -0.5272217     11.94266 
1 1 1 -11 1  28 f 140.2957 3.567034 965.6903       48.94469 963.2811       69.16293 968.1072       69.27370 139.9463 5.057318 140.2975 5.052681 -0.3512115     7.148850 
1 1 1 -11 1  29 o 237.3174 5.632998 2769.948       130.8505 2718.258       158.4026 2881.000       232.1784 234.7052 6.902486 240.6127 9.879198 -5.907547      12.05167 
1 1 1 -11 1  30 o 202.2511 5.007814 2010.808       99.13919 1983.624       120.0830 2069.000       175.6940 200.5698 6.123768 204.0351 8.818048 -3.465286      10.73585 
1 1 1 -11 1  31 o 180.6593 4.030018 1602.522       71.26456 1650.948       102.7342 1557.607       98.93951 182.9756 5.743197 177.7341 5.694475 5.241547       8.087729 
1 1 1 -11 1  32 o 70.72614 4.534298 246.9796       31.22500 240.1000       57.91719 249.7986       37.07458 68.90037 8.787460 71.00533 5.374224 -2.104958      10.30057 
1 1 1 -11 1  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 1  34 o 93.39025 3.838844 429.5887       35.01720 420.3000       57.99329 434.9184       43.92939 91.83037 6.493745 93.80152 4.800493 -1.971153      8.075485 
1 1 1 -11 1  35 o 55.78819 4.814559 154.7661       26.03387 152.3008       33.04485 158.8000       42.27053 55.04361 6.243398 55.77652 7.968719 -0.7329063     10.12327 
1 1 1 -11 1  36 o 34.69591 7.216067 62.38071       23.70712 42.59172       29.97249 95.45000       38.74570 29.14811 9.308974 42.53785 9.541170 -13.38974      13.33008 
1 1 1 -11 1  37 o 61.03554 4.164193 184.7305       24.72924 181.3633       34.97155 188.0981       34.97331 60.04708 6.031600 61.19379 5.912340 -1.146709      8.446061 
1 1 1 -11 1  38 o 41.68977 5.576004 88.04433       22.18401 77.55178       31.33828 98.58342       31.40769 38.29425 8.574383 43.57041 7.642985 -5.276157      11.48631 
1 1 1 -11 1  39 o 37.88061 6.253031 73.73265       22.37710 88.58893       31.89408 59.32978       31.40360 41.00672 8.232330 33.37746 9.278255 7.629253       12.40392 
1 1 1 -11 1  40 o 27.59973 7.776697 39.99954       21.90337 26.64859       30.67488 53.88798       31.28624 25.09018 9.340561 31.84613 9.394598 -6.755949      13.24781 
1 1 1 -11 1  41 o 14.40225 6.626036 -14.86191      21.47969 -25.82015      29.95544 -3.264548      30.81661 16.30611 7.612421 19.51996 8.526352 -3.213854      11.43012 
1 1 1 -11 1  42 f 26.03186 8.071680 35.12636       22.69476 9.203558       31.52601 63.00974       32.69646 21.71626 9.017574 34.07888 9.465095 -12.36263      13.07305 
1 1 1 -11 1  43 o 93.39352 3.689879 432.8100       33.66507 454.0976       48.19052 412.5188       47.04918 95.03226 5.200472 90.50115 5.334853 4.531113       7.450206 
1 1 1 -11 1  44 o 68.45078 4.254894 234.4022       28.36748 241.2465       39.97741 227.4610       40.25942 68.72253 6.003256 66.60101 6.248599 2.121521       8.665107 
1 1 1 -11 1  45 o 27.70136 8.257237 41.39848       24.06864 53.51645       34.24985 29.57551       33.83041 31.20053 9.949609 25.75498 9.761932 5.445549       13.93880 
1 1 1 -11 1  46 o 29.67259 8.162764 48.45829       24.44783 51.17509       34.31388 45.65736       34.84105 30.40478 9.980805 29.14544 10.05918 1.259336       14.17052 
1 1 1 -11 1  47 f 38.53653 8.106123 81.84517       29.60614 46.19817       35.14297 169.0000       54.95063 29.13651 10.10039 53.83073 10.80474 -24.69422      14.79055 
1 1 1 -11 1  48 o 36.38359 8.550563 74.45505       29.93291 70.70263       35.87686 83.05000       54.29756 34.80524 10.00156 36.66095 12.56116 -1.855705      16.05659 
1 1 1 -11 1  49 o 23.19543 8.833626 24.40352       27.78283 8.967000       51.21903 30.83895       33.07087 25.05723 10.96755 25.37977 9.644281 -0.3225327     14.60477 
1 1 1 -11 1  50 o 65.53345 6.167302 225.3884       39.09566 0.000000       0.000000 225.3884       39.09566 ?        ?        65.53345 6.167302 ?              ?        
1 1 1 -11 1  51 o 48.49789 5.289217 122.1572       24.70203 100.0513       34.48240 145.4601       35.40370 41.86597 8.698971 51.79422 7.175840 -9.928249      11.27674 
1 1 1 -11 1  52 o 27.71713 8.648122 43.88600       26.00732 38.81577       32.81501 52.45000       42.64784 26.68084 9.706958 30.00790 11.04223 -3.327063      14.70224 
1 1 1 -11 1  53 o 25.56317 8.196575 36.83462       23.21985 45.97249       32.94441 27.81406       32.73226 28.12605 9.777711 24.20576 9.487584 3.920286       13.62417 
1 1 1 -11 1  54 o 49.78594 5.245374 129.6076       25.17801 168.3394       36.21828 93.38430       35.02581 55.67423 6.786155 39.61991 9.207424 16.05432       11.43803 
1 1 1 -11 1  55 o 53.74298 5.604642 152.3187       29.05052 137.0020       36.47224 178.9000       48.04718 49.35499 7.809181 55.19186 9.218711 -5.836872      12.08172 
1 1 1 -11 1  56 o 31.14389 7.763396 55.70985       23.58211 36.31554       32.92706 76.13397       33.78996 25.77521 9.660910 35.31742 9.547895 -9.542206      13.58291 
1 1 1 -11 1  57 o 22.30887 8.622577 23.67938       26.73908 40.61057       32.38714 -12.57000      47.38919 26.64646 9.650790 21.22691 9.793237 5.419554       13.74937 
1 1 1 -11 1  58 o 16.17638 7.136469 -1.145086      22.08060 -1.663932      31.50989 -0.6444838     30.95098 18.81978 8.400953 18.81847 8.367870 0.1308441E-02  11.85737 
1 1 1 -11 1  59 o 27.28759 8.177769 43.61766       23.55905 32.15956       32.90478 55.66924       33.74621 24.71056 9.561316 29.93728 9.901202 -5.226723      13.76418 
1 1 1 -11 1  60 o 21.11412 8.499211 19.14689       26.94681 -10.15276      32.52013 83.34000       48.13546 17.84934 8.190231 34.43811 11.82605 -16.58876      14.38525 
1 1 1 -11 1  61 o 27.15737 8.850245 45.06691       27.00303 99.90000       48.35758 20.22225       32.55066 37.25692 11.81573 22.06199 9.162198 15.19492       14.95183 
1 1 1 -11 2  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2  2  f 446.4486 9.685162 9780.181       423.2379 9840.863       520.6805 9662.000       726.6312 447.3795 11.90076 442.2775 16.81530 5.102020       20.60055 
1 1 1 -11 2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 2  4  f 440.3879 9.562383 9516.174       412.1997 9482.708       503.7280 9584.000       717.1261 439.1743 11.72848 440.4985 16.66205 -1.324188      20.37600 
1 1 1 -11 2  5  o 615.7952 13.24842 18651.44       798.5581 18054.97       954.7892 20040.00       1456.788 604.9317 16.13924 634.5194 23.49611 -29.58771      28.50513 
1 1 1 -11 2  6  o 482.9983 9.046618 11444.47       427.6988 11540.62       608.5952 11350.65       601.1878 484.2727 12.85039 480.2778 12.79967 3.994934       18.13737 
1 1 1 -11 2  7  o 666.7516 12.38911 21856.38       808.5565 22370.89       1162.857 21374.81       1125.025 672.7514 17.67428 657.6599 17.49203 15.09149       24.86667 
1 1 1 -11 2  8  o 344.0955 6.576955 5802.405       221.5185 5910.883       317.3518 5699.329       309.3503 346.9378 9.353615 340.6766 9.285542 6.261230       13.17996 
1 1 1 -11 2  9  f 455.1240 8.548702 10161.09       380.8344 10399.58       547.3644 9937.321       530.2076 459.7296 12.17448 449.4106 12.06395 10.31900       17.13933 
1 1 1 -11 2  10 o 216.0991 4.436524 2286.998       93.84305 2292.521       132.8390 2281.497       132.5896 216.1980 6.283893 215.6769 6.287287 0.5211487      8.889167 
1 1 1 -11 2  11 o 182.8078 3.947936 1636.457       70.64330 1653.442       100.4955 1619.867       99.32419 183.6179 5.598001 181.7429 5.589952 1.875046       7.911080 
1 1 1 -11 2  12 o 359.5959 6.860897 6340.046       241.4915 6278.355       339.2088 6403.448       343.8802 357.3883 9.705607 360.9277 9.742674 -3.539459      13.75204 
1 1 1 -11 2  13 o 638.3706 11.90044 20064.56       743.6048 20221.87       1057.476 19910.69       1045.852 638.6984 16.92980 633.7885 16.87354 4.909851       23.90260 
1 1 1 -11 2  14 o 197.3530 4.176832 1907.734       80.68578 1899.475       113.7551 1916.096       114.4620 196.7565 5.913282 197.6154 5.924138 -0.8588257     8.370323 
1 1 1 -11 2  15 o 416.5303 7.879649 8518.278       321.2622 8349.231       448.0220 8697.199       460.9192 411.5785 11.13113 420.0499 11.22036 -8.471375      15.80502 
1 1 1 -11 2  16 o 185.2514 4.000789 1681.097       72.54598 1684.317       102.6005 1677.878       102.5905 185.2583 5.664690 184.9026 5.675083 0.3556824      8.018435 
1 1 1 -11 2  17 o 209.5240 4.360857 2151.115       89.43590 2116.555       125.1719 2187.160       127.8330 207.6192 6.166156 211.0536 6.194613 -3.434341      8.740407 
1 1 1 -11 2  18 o 153.8600 3.592924 1159.628       54.11031 1127.166       75.33525 1194.222       77.76987 151.5380 5.086117 155.9840 5.100460 -4.446045      7.203005 
1 1 1 -11 2  19 o 137.1356 3.425946 921.2216       45.98719 891.5034       63.90760 953.1348       66.22575 134.7581 4.852896 139.3433 4.862961 -4.585159      6.870152 
1 1 1 -11 2  20 o 156.4670 3.635050 1199.467       55.67233 1178.960       77.67672 1221.129       79.83266 154.9571 5.128282 157.7019 5.178772 -2.744858      7.288275 
1 1 1 -11 2  21 o 116.0269 3.285594 660.0131       37.27703 679.7327       52.91828 640.5898       52.51937 117.6513 4.604071 114.1992 4.708503 3.452126       6.585399 
1 1 1 -11 2  22 o 177.0169 3.910556 1535.820       67.75780 1487.290       93.88235 1588.584       97.89135 173.9849 5.519709 179.8116 5.568575 -5.826782      7.840677 
1 1 1 -11 2  23 o 127.9586 3.871525 803.3002       48.43486 789.5848       59.11912 831.3000       84.46962 126.7796 4.772526 129.8644 6.667459 -3.084793      8.199513 
1 1 1 -11 2  24 o 182.9948 4.650357 1643.800       83.22987 1812.000       153.3079 1573.509       99.10659 191.5481 8.195689 178.9067 5.666538 12.64140       9.963883 
1 1 1 -11 2  25 o 216.1304 4.499076 2291.469       95.17994 2249.690       133.0542 2335.254       136.2108 213.8102 6.364697 217.8361 6.395079 -4.025879      9.022549 
1 1 1 -11 2  26 o 205.6941 4.352002 2075.470       87.62280 2068.652       123.7155 2082.334       124.1202 205.0270 6.171653 205.7046 6.171398 -0.6775360     8.727856 
1 1 1 -11 2  27 o 324.2713 6.301594 5173.225       200.0162 5031.285       277.7053 5326.227       288.3247 318.8441 8.906873 328.0302 8.988172 -9.186127      12.65384 
1 1 1 -11 2  28 o 129.0674 4.865567 819.2274       61.35895 891.2000       86.05615 744.8000       87.51146 134.3673 6.562931 122.6739 7.321275 11.69338       9.832250 
1 1 1 -11 2  29 o 146.7991 4.253449 1058.571       61.05380 1046.551       74.57755 1083.000       106.3145 145.8249 5.233292 147.9473 7.364554 -2.122391      9.034600 
1 1 1 -11 2  30 o 151.9660 3.678175 1132.956       54.71230 1085.968       76.09295 1183.249       78.72385 148.5064 5.242941 155.0315 5.195100 -6.525162      7.380888 
1 1 1 -11 2  31 o 167.4532 4.433909 1378.758       72.61130 1528.000       130.1342 1311.288       87.49831 175.5154 7.592738 163.0987 5.488606 12.41669       9.368803 
1 1 1 -11 2  32 f 114.6076 3.887943 645.8674       43.55221 640.1000       73.22484 649.0244       54.17661 113.5915 6.614379 114.7413 4.834596 -1.149757      8.192883 
1 1 1 -11 2  33 o 145.2874 5.116837 1041.771       72.65363 0.000000       0.000000 1041.771       72.65363 ?        ?        145.2874 5.116837 ?              ?        
1 1 1 -11 2  34 o 96.18641 4.015145 455.9562       37.71943 395.5000       66.63271 484.4645       45.75654 88.71241 7.751339 99.02119 4.734551 -10.30878      9.082909 
1 1 1 -11 2  35 o 110.1946 3.402675 597.4825       36.65781 584.9908       51.56527 610.2461       52.12318 108.7339 4.857174 111.0733 4.805557 -2.339409      6.832680 
1 1 1 -11 2  36 o 26.75272 8.042991 36.46161       22.76200 25.63930       28.68283 54.87000       37.40847 24.73570 9.063386 32.80849 10.39079 -8.072794      13.78816 
1 1 1 -11 2  37 o 137.3978 4.108054 932.6068       55.18664 937.4146       68.48020 923.7000       93.20768 137.4066 5.100417 135.5207 7.050762 1.885910       8.702155 
1 1 1 -11 2  38 o 31.44980 7.310167 51.82823       22.07481 73.98479       31.09868 29.32689       31.33972 37.36184 8.671224 25.94497 9.479058 11.41687       12.84689 
1 1 1 -11 2  39 o 147.5301 3.722173 1075.415       53.70769 1074.237       76.06708 1076.586       75.84170 146.7347 5.304848 146.9068 5.282842 -0.1720886     7.486643 
1 1 1 -11 2  40 o 52.89804 4.741055 140.1997       24.28821 145.9601       34.09344 134.2635       34.60982 53.39764 6.667843 51.02534 7.123474 2.372299       9.757255 
1 1 1 -11 2  41 o 23.21684 7.987848 25.78329       21.96382 13.70883       30.42813 38.91822       31.73621 22.29616 9.011469 28.01096 9.603047 -5.714800      13.16910 
1 1 1 -11 2  42 o 72.38654 3.960069 260.5405       27.95177 236.2403       39.00382 286.1971       40.07758 68.26266 5.895086 75.35226 5.471008 -7.089607      8.042634 
1 1 1 -11 2  43 o 39.64531 6.327643 81.47234       23.73002 81.19869       33.41787 81.75067       33.70257 38.63074 9.004704 38.74799 9.050505 -0.1172447     12.76700 
1 1 1 -11 2  44 o 22.75790 8.214320 23.84288       23.43810 42.32948       33.36683 5.836659       32.93045 28.66371 9.846003 21.34659 9.060633 7.317118       13.38054 
1 1 1 -11 2  45 o 36.20961 7.047083 69.86301       24.07794 62.13504       34.27293 77.39431       33.83400 33.31670 9.833943 37.23375 9.309083 -3.917049      13.54125 
1 1 1 -11 2  46 o 37.82247 7.915846 78.14786       28.36359 87.51513       33.87530 56.18000       51.87647 39.56366 8.956650 32.37341 12.12786 7.190254       15.07669 
1 1 1 -11 2  47 o 19.46613 8.274370 5.384503       27.53092 -34.85788      32.71728 103.0000       50.95592 15.99273 7.612563 41.03456 11.95797 -25.04183      14.17548 
1 1 1 -11 2  48 o 19.89438 8.249786 9.878525       26.33556 44.19230       34.53262 -37.82000      40.71437 28.49454 10.00342 18.03266 8.557272 10.46189       13.16417 
1 1 1 -11 2  49 o 82.35004 4.374892 343.0164       35.13793 279.8000       56.88082 382.0276       44.68330 71.43651 8.288317 86.26180 5.317860 -14.82529      9.847631 
1 1 1 -11 2  50 f 71.49129 4.866912 261.3685       33.85442 218.4000       58.35881 283.1629       41.56266 61.25343 10.08413 73.76974 5.802655 -12.51632      11.63445 
1 1 1 -11 2  51 o 15.98041 7.356961 -14.26298      26.54135 25.00000       48.32831 -31.21911      31.75949 26.26413 11.05338 15.83578 7.527154 10.42835       13.37293 
1 1 1 -11 2  52 o 59.93653 4.579619 183.8705       26.66404 204.8454       38.01767 163.5639       37.40704 62.07531 6.346119 54.85073 7.136338 7.224583       9.549898 
1 1 1 -11 2  53 o 72.79926 4.567019 271.5084       32.37967 274.2842       40.51359 266.6000       53.87403 72.21852 5.779402 68.93906 8.140597 3.279457       9.983527 
1 1 1 -11 2  54 o 57.84448 4.693012 172.4435       26.34369 172.5752       36.91505 172.3067       37.60576 56.34035 6.833398 56.16996 6.990665 0.1703873      9.775722 
1 1 1 -11 2  55 o 22.65513 8.670078 24.88587       26.84807 67.94000       51.00189 8.381581       31.57746 32.37942 12.04606 20.43445 8.777964 11.94497       14.90504 
1 1 1 -11 2  56 o 23.44567 8.132312 29.99759       22.78340 17.57235       31.89513 42.94325       32.55622 21.99099 9.095350 27.20280 9.697635 -5.211815      13.29547 
1 1 1 -11 2  57 o 40.20102 6.356121 87.80640       24.18071 64.06355       33.67258 113.0872       34.74604 32.22103 9.803050 44.27964 8.322138 -12.05861      12.85915 
1 1 1 -11 2  58 o 43.92036 7.044626 107.1032       29.26165 133.0970       35.36734 50.70000       52.09790 48.51108 7.705641 29.29548 11.80887 19.21561       14.10057 
1 1 1 -11 2  59 o 22.52064 8.679056 25.06250       27.03333 23.18928       32.47495 29.29000       48.78601 22.91875 9.292759 25.91948 11.01597 -3.000729      14.41205 
1 1 1 -11 2  60 o 25.62902 8.757427 38.61301       26.38804 62.63000       45.92197 26.77319       32.24287 30.66815 11.42634 23.39089 9.337418 7.277254       14.75631 
1 1 1 -11 2  61 f 22.54579 8.161016 28.04292       23.15562 38.64465       33.16941 17.96456       32.34033 25.64031 9.677881 21.64523 9.071493 3.995085       13.26474 
1 1 1 -11 3  1  o 243.6854 6.853940 2912.380       163.3219 0.000000       0.000000 2912.380       163.3219 ?        ?        243.6854 6.853940 ?              ?        
1 1 1 -11 3  2  o 196.4690 4.715343 1890.320       90.68042 1897.094       111.3766 1877.000       156.1799 196.7046 5.790905 195.4829 8.180335 1.221634       10.02260 
1 1 1 -11 3  3  o 345.3798 7.615991 5847.649       257.4718 5849.992       315.7590 5843.000       444.7684 345.1797 9.354159 344.4266 13.21715 0.7531738      16.19238 
1 1 1 -11 3  4  o 175.2226 5.381184 1505.300       92.18477 1516.000       131.6297 1495.000       129.1437 175.6855 7.672915 174.4697 7.580270 1.215851       10.78583 
1 1 1 -11 3  5  o 111.8995 3.515502 613.6423       38.45763 587.2554       46.28225 672.5000       69.12280 109.4255 4.329599 117.0036 6.056148 -7.578018      7.444619 
1 1 1 -11 3  6  o 274.4840 6.207282 3691.506       166.7726 3690.257       204.3242 3694.000       288.6601 274.2535 7.618726 274.0534 10.78186 0.2001343      13.20202 
1 1 1 -11 3  7  o 327.1691 6.282638 5244.920       201.1965 5312.446       287.0775 5179.734       282.0587 328.9489 8.924131 324.8161 8.879804 4.132721       12.58932 
1 1 1 -11 3  8  o 234.2803 4.711701 2688.118       108.0488 2769.025       155.6488 2612.866       150.1097 237.6019 6.699208 230.8031 6.651415 6.798782       9.440376 
1 1 1 -11 3  9  o 122.7425 3.233733 738.0983       38.81744 750.9861       54.96053 725.2706       54.83200 123.7487 4.545091 121.6047 4.614942 2.143944       6.477309 
1 1 1 -11 3  10 o 89.77833 3.156158 395.0957       27.69238 410.5342       39.06572 379.5026       39.26090 91.45328 4.376759 87.90782 4.578528 3.545456       6.333951 
1 1 1 -11 3  11 o 298.4070 5.795382 4363.419       169.2768 4336.874       238.3338 4390.441       240.4675 297.2032 8.200517 299.0318 8.223283 -1.828583      11.61339 
1 1 1 -11 3  12 o 294.6578 5.736512 4254.839       165.4520 4203.976       232.1164 4307.373       235.8985 292.5878 8.112652 296.1627 8.145189 -3.574951      11.49605 
1 1 1 -11 3  13 o 289.4822 5.652075 4107.063       160.1533 4141.657       227.6837 4073.183       225.3169 290.3824 8.018098 287.9723 8.001253 2.410095       11.32740 
1 1 1 -11 3  14 o 127.2925 3.329986 793.9813       41.45513 767.3203       57.74426 822.3361       59.55025 125.0570 4.725814 129.4700 4.706863 -4.413017      6.669923 
1 1 1 -11 3  15 o 238.6140 4.810514 2789.962       112.3553 2782.550       158.5496 2797.439       159.2415 238.0543 6.811294 238.6896 6.822799 -0.6352844     9.640762 
1 1 1 -11 3  16 o 153.6175 3.578989 1155.799       53.81549 1142.321       75.50097 1169.718       76.72704 152.5786 5.062376 154.3978 5.083862 -1.819168      7.174489 
1 1 1 -11 3  17 o 376.8596 7.180761 6974.006       264.8843 6807.188       368.2864 7152.781       381.2562 371.5772 10.13529 380.8717 10.23590 -9.294495      14.40478 
1 1 1 -11 3  18 o 268.4097 5.309593 3533.014       139.4973 3497.708       195.8906 3569.338       198.6972 266.6929 7.511534 269.4067 7.542316 -2.713837      10.64470 
1 1 1 -11 3  19 o 146.1628 3.511839 1046.560       50.24326 1012.117       69.69774 1083.823       72.49413 143.5838 4.966625 148.5867 4.991530 -5.002853      7.041501 
1 1 1 -11 3  20 o 39.47657 5.254462 77.78342       19.79989 81.43614       26.90321 73.46690       29.24580 40.11810 7.111385 37.92497 8.122999 2.193130       10.79606 
1 1 1 -11 3  21 o 138.4615 3.487161 939.9005       47.22388 948.0015       66.03490 931.4207       67.56055 138.9450 4.862890 137.7079 5.020602 1.237122       6.989574 
1 1 1 -11 3  22 o 417.9957 9.190808 8621.063       376.0380 8460.000       642.9023 8704.819       463.6147 410.3922 16.03527 418.9987 11.31452 -8.606537      19.62519 
1 1 1 -11 3  23 o 114.9839 3.311298 648.3398       37.22966 613.1604       51.53736 686.7323       53.83945 111.7023 4.724281 118.2312 4.661375 -6.528984      6.636810 
1 1 1 -11 3  24 o 131.1517 3.412433 843.4711       43.76986 831.1614       61.38000 856.2069       62.43330 130.0630 4.829719 132.0096 4.839943 -1.946609      6.837488 
1 1 1 -11 3  25 o 314.6887 6.123826 4867.690       188.6298 4822.617       265.2087 4913.835       268.3444 312.4293 8.680625 315.3653 8.701371 -2.936035      12.29094 
1 1 1 -11 3  26 o 125.7290 3.417186 775.3364       42.01529 747.7228       58.67086 804.4039       60.19565 123.3287 4.869751 127.9308 4.815703 -4.602150      6.848758 
1 1 1 -11 3  27 f 212.7365 5.166178 2222.852       107.5765 2202.971       131.0117 2264.000       188.4816 211.5000 6.335537 213.7313 9.029715 -2.231308      11.03063 
1 1 1 -11 3  28 f 196.3502 4.906132 1893.500       94.29240 1940.536       116.9211 1806.000       159.4699 198.5074 6.024388 190.8921 8.556374 7.615311       10.46445 
1 1 1 -11 3  29 o 64.60604 4.243582 205.7463       26.68707 197.3000       42.25261 211.3520       34.42212 62.86928 6.983779 65.33786 5.431350 -2.468582      8.847188 
1 1 1 -11 3  30 o 169.4202 4.515801 1410.958       74.82020 1389.136       90.83611 1457.000       131.9464 167.9193 5.534077 171.4020 7.885708 -3.482697      9.633815 
1 1 1 -11 3  31 f 95.00292 3.864232 443.8113       35.85907 497.8000       60.87072 415.1169       44.37683 100.2625 6.233283 91.73241 4.960735 8.530136       7.966349 
1 1 1 -11 3  32 o 103.7790 3.804430 529.6508       38.58065 544.3000       64.50050 521.4899       48.14229 104.7686 6.319015 102.8292 4.796254 1.939331       7.933095 
1 1 1 -11 3  33 o 53.39331 4.526414 141.3127       23.43361 113.0606       32.42995 172.1825       33.89911 47.19648 7.251521 58.72630 5.980611 -11.52982      9.399589 
1 1 1 -11 3  34 o 21.66850 8.189064 17.29042       23.76620 -18.31000      46.25509 30.05999       27.70258 22.58244 10.12235 25.73199 8.964898 -3.149549      13.52151 
1 1 1 -11 3  35 o 61.29364 4.789660 186.6100       28.50798 229.3000       54.78244 170.7563       33.38438 67.00837 8.546548 58.38275 5.923793 8.625622       10.39879 
1 1 1 -11 3  36 o 68.83410 3.777715 234.0724       25.35542 212.8582       35.40481 256.4087       36.32901 65.25975 5.596547 71.76186 5.207369 -6.502113      7.644477 
1 1 1 -11 3  37 o 102.0117 3.917217 514.0668       39.04145 536.1541       49.05423 475.9000       64.48335 103.9336 4.835107 97.23008 6.818719 6.703522       8.359018 
1 1 1 -11 3  38 o 110.0471 3.965370 599.0111       42.64402 626.7996       53.62329 551.2000       70.33726 112.2681 4.891412 104.4339 6.919806 7.834236       8.474055 
1 1 1 -11 3  39 o 38.95376 6.079663 77.72581       22.42434 75.15688       31.07590 80.51671       32.39053 37.58674 8.629262 38.89936 8.722615 -1.312626      12.26981 
1 1 1 -11 3  40 o 35.90853 6.683372 67.03622       22.62664 66.66208       31.25985 67.44794       32.79299 35.22880 9.025623 35.38583 9.334691 -0.1570358     12.98454 
1 1 1 -11 3  41 o 18.28901 7.536217 6.460955       21.78839 5.218040       30.28964 7.793722       31.36539 20.71579 8.736302 21.46554 8.960462 -0.7497520     12.51451 
1 1 1 -11 3  42 o 54.84606 4.777395 151.1179       25.39170 179.2409       36.08338 123.5313       35.73768 59.22543 6.321972 48.49784 7.792188 10.72758       10.03422 
1 1 1 -11 3  43 o 110.9270 3.597431 609.9948       39.00869 609.4317       54.87678 610.5700       55.46110 110.1691 5.102746 110.2441 5.153834 -0.7507324E-01 7.252587 
1 1 1 -11 3  44 o 47.64567 5.365958 115.7472       24.59049 119.6609       34.60207 111.7537       34.95301 47.49746 7.706499 45.68451 8.113670 1.812954       11.19025 
1 1 1 -11 3  45 o 30.74190 8.708970 51.97660       27.39379 33.91704       32.37466 97.50000       51.40069 26.43661 9.638068 40.56015 12.06114 -14.12355      15.43903 
1 1 1 -11 3  46 o 28.66449 8.792373 45.22585       27.01560 67.29431       32.10071 -8.353000      50.01789 34.48419 9.299110 23.27514 10.47179 11.20904       14.00471 
1 1 1 -11 3  47 o 58.40911 4.561994 172.9462       25.87528 166.3786       37.01777 179.2208       36.18287 56.07854 6.888378 58.50293 6.424137 -2.424393      9.419091 
1 1 1 -11 3  48 o 31.32017 8.296680 54.98193       25.83655 20.61000       43.41298 73.83253       32.14995 25.31266 10.55221 35.94292 9.123789 -10.63025      13.94964 
1 1 1 -11 3  49 o 53.91792 4.873539 148.8122       25.44334 159.4018       35.59912 137.7541       36.37815 54.73694 6.789844 50.32832 7.622912 4.408619       10.20837 
1 1 1 -11 3  50 o 48.40685 5.308786 121.4961       24.74188 112.7547       34.16923 131.1314       35.87355 45.06076 8.042005 48.85408 7.761098 -3.793320      11.17625 
1 1 1 -11 3  51 o 47.92475 5.387079 119.6311       24.83372 78.52108       34.42700 164.2273       35.85701 36.44036 9.541286 55.34189 6.759438 -18.90153      11.69300 
1 1 1 -11 3  52 o 64.97718 5.098762 218.2030       32.16929 215.7000       58.64016 219.2806       38.47574 60.04108 10.35168 64.35226 6.184298 -4.311172      12.05831 
1 1 1 -11 3  53 o 35.15157 7.068754 68.50384       23.47779 70.31007       32.72940 66.58924       33.69695 34.19729 9.459178 33.13028 9.743587 1.067017       13.57990 
1 1 1 -11 3  54 o 18.96402 8.457986 -2.339914      31.86664 37.23000       51.98463 -26.16000      40.33333 27.79440 11.56372 18.50632 8.701324 9.288073       14.47179 
1 1 1 -11 3  55 o 24.65033 8.125491 34.11388       22.73351 63.41391       32.86558 7.233496       31.47930 32.22034 9.659527 20.22159 8.726138 11.99874       13.01737 
1 1 1 -11 3  56 o 23.83893 8.087183 31.46142       22.49757 10.49923       31.63931 52.89951       31.99644 20.74061 8.844999 29.56972 9.633675 -8.829117      13.07829 
1 1 1 -11 3  57 o 39.27676 6.528720 84.32840       24.21898 104.4119       34.07118 63.81569       34.43330 42.35393 8.513969 32.08473 9.941368 10.26920       13.08887 
1 1 1 -11 3  58 o 59.75180 6.771164 195.2508       38.90504 220.7000       52.75188 164.9000       57.60842 61.16593 9.086623 49.51782 12.01031 11.64811       15.06036 
1 1 1 -11 3  59 o 36.42199 7.876250 76.75614       27.26083 116.3000       46.83658 56.49632       33.52459 41.88540 11.20518 30.10321 9.864432 11.78219       14.92860 
1 1 1 -11 3  60 o 24.30514 8.226961 33.98652       23.28111 -4.581364      33.64391 69.42316       32.24927 18.78221 8.506327 33.27188 9.457275 -14.48966      12.71997 
1 1 1 -11 3  61 o 17.66154 7.512731 7.061432       22.72419 4.981014       32.53108 9.043975       31.75663 19.67114 8.670864 20.10569 8.720208 -0.4345436     12.29739 
1 1 1 -11 4  1  o 391.6254 10.51810 7535.233       402.8291 0.000000       0.000000 7535.233       402.8291 ?        ?        391.6254 10.51810 ?              ?        
1 1 1 -11 4  2  o 408.4468 8.927443 8183.459       356.9183 9732.000       699.5773 7638.542       414.9919 443.9909 16.12417 394.2651 10.76345 49.72583       19.38661 
1 1 1 -11 4  3  o 291.8620 6.543529 4174.141       186.9372 4199.339       229.9228 4125.000       321.0860 292.5402 8.037148 289.5607 11.35057 2.979462       13.90795 
1 1 1 -11 4  4  o 299.8722 8.243904 4413.011       241.7482 4193.000       330.8594 4665.000       354.0885 291.9005 11.60296 307.8923 11.77084 -15.99185      16.52819 
1 1 1 -11 4  5  o 218.2354 5.136505 2332.740       109.7234 2282.819       132.6299 2441.000       195.3153 215.7544 6.286936 222.8844 8.970955 -7.129929      10.95462 
1 1 1 -11 4  6  o 404.4666 8.834057 8025.400       349.7430 8065.593       430.1509 7947.000       600.7625 405.0906 10.85811 401.2510 15.32426 3.839600       18.78115 
1 1 1 -11 4  7  o 266.2856 6.051402 3474.288       157.7284 3533.513       195.2377 3363.000       267.6318 268.3651 7.439616 261.4817 10.47781 6.883484       12.85039 
1 1 1 -11 4  8  o 551.6562 10.29355 14944.74       555.8273 14943.31       786.0870 14946.18       786.0301 550.4965 14.60136 550.5502 14.59888 -0.5364990E-01 20.64769 
1 1 1 -11 4  9  o 382.3195 7.255456 7166.291       271.5172 7282.480       388.4815 7055.332       379.6380 384.9231 10.32006 378.8798 10.24615 6.043335       14.54260 
1 1 1 -11 4  10 o 249.2669 4.971252 3043.590       121.2932 3020.438       170.7693 3067.161       172.3102 248.1086 7.038836 250.0209 7.047938 -1.912308      9.960855 
1 1 1 -11 4  11 o 455.2914 8.560405 10173.60       381.4960 10199.81       540.5079 10147.58       538.5312 455.0727 12.14517 453.9084 12.13182 1.164246       17.16643 
1 1 1 -11 4  12 o 372.0550 7.080251 6788.979       257.8470 6720.897       362.1459 6858.978       367.2082 369.6618 10.01782 373.4358 10.05508 -3.773926      14.19371 
1 1 1 -11 4  13 o 538.4293 10.07223 14254.56       530.8361 14145.25       746.6758 14366.26       754.8217 534.9265 14.27316 539.0754 14.31770 -4.148926      20.21681 
1 1 1 -11 4  14 o 204.7816 4.276837 2054.268       85.72743 2015.708       119.8266 2094.697       122.6982 202.6680 6.047109 206.6017 6.073932 -3.933762      8.570891 
1 1 1 -11 4  15 o 153.2327 3.570038 1149.961       53.54642 1127.358       74.88965 1173.602       76.59117 151.5821 5.054467 154.6623 5.066107 -3.080185      7.156331 
1 1 1 -11 4  16 o 162.5650 3.684341 1294.461       58.62638 1225.807       80.51997 1371.918       85.52681 158.0446 5.212095 167.2066 5.232118 -9.162018      7.385187 
1 1 1 -11 4  17 o 133.9144 3.378394 878.8992       44.24833 885.9395       62.40817 871.7823       62.74638 134.3584 4.752861 133.2741 4.817835 1.084274       6.767661 
1 1 1 -11 4  18 o 219.8942 4.521796 2370.052       97.32648 2281.020       134.2541 2468.671       141.2966 215.4713 6.372492 224.1567 6.446519 -8.685364      9.064562 
1 1 1 -11 4  19 o 130.4726 3.349897 834.4208       42.74621 790.6533       58.52116 884.4830       62.58812 126.9039 4.719424 134.2283 4.771258 -7.324387      6.711026 
1 1 1 -11 4  20 o 41.40985 5.675470 85.71020       22.39983 83.98805       26.91594 89.59000       40.39980 40.77400 6.995831 41.78111 10.00994 -1.007103      12.21231 
1 1 1 -11 4  21 o 224.7130 5.353506 2477.876       117.7532 2385.000       199.9805 2527.168       145.6869 219.6809 9.321317 226.6914 6.572613 -7.010513      11.40553 
1 1 1 -11 4  22 o 295.3161 5.778784 4282.307       167.0436 4089.835       228.8285 4501.885       244.4113 288.0299 8.124569 302.1625 8.271479 -14.13260      11.59422 
1 1 1 -11 4  23 o 210.3881 4.398107 2170.705       90.57183 2114.208       125.9007 2231.306       130.3932 207.3313 6.210792 212.9921 6.261192 -5.660767      8.819097 
1 1 1 -11 4  24 o 151.1599 3.586311 1119.878       53.06287 1155.766       76.02767 1085.792       74.09413 153.3702 5.071331 148.6464 5.099961 4.723831       7.192218 
1 1 1 -11 4  25 o 193.1431 4.148849 1829.417       78.43554 1839.540       111.2153 1819.399       110.6361 193.3912 5.882025 192.3283 5.883808 1.062897       8.319701 
1 1 1 -11 4  26 o 185.0679 4.693386 1681.960       84.95187 1613.871       101.6170 1840.000       154.8157 181.1276 5.738839 192.9094 8.217724 -11.78181      10.02324 
1 1 1 -11 4  27 o 215.3274 5.203758 2277.619       109.6788 2239.070       132.8848 2360.000       194.2606 213.2071 6.374640 218.1718 9.116705 -4.964783      11.12431 
1 1 1 -11 4  28 o 166.0179 3.839521 1351.868       62.39335 1277.483       86.07936 1434.211       90.56660 161.1142 5.466236 170.7287 5.426341 -9.614532      7.702267 
1 1 1 -11 4  29 o 94.30145 3.393887 436.6180       31.27614 423.1392       44.69428 449.5522       43.78210 92.66468 4.945467 95.55228 4.695496 -2.887596      6.819481 
1 1 1 -11 4  30 o 179.6159 4.584594 1586.138       80.53723 1615.000       138.1509 1571.280       99.12313 180.4613 7.839725 178.5557 5.678682 1.905563       9.680326 
1 1 1 -11 4  31 o 26.05363 8.251599 33.20638       23.59106 5.386311       27.63737 107.9000       45.28551 20.36505 8.448648 45.56029 10.38626 -25.19524      13.38858 
1 1 1 -11 4  32 o 69.49317 3.668802 237.8002       24.86745 223.6317       34.57383 252.9861       35.79366 67.15735 5.302535 71.47900 5.150426 -4.321648      7.392142 
1 1 1 -11 4  33 o 44.24129 5.815061 98.33722       24.57281 108.9000       38.22982 90.90096       32.07675 45.92812 8.824478 42.02583 8.091297 3.902298       11.97249 
1 1 1 -11 4  34 o 113.1808 3.425308 630.0151       37.90343 616.2150       53.11392 644.3362       54.10697 111.6537 4.871643 114.1820 4.852219 -2.528305      6.875823 
1 1 1 -11 4  35 o 16.93493 7.459885 -6.116769      24.04212 25.53000       47.40272 -17.07701      27.89643 28.65958 11.36039 16.79623 7.661023 11.86335       13.70218 
1 1 1 -11 4  36 o 13.19291 6.329136 -33.15756      23.57810 -26.74000      47.67804 -35.23510      27.12739 21.93828 10.00988 14.40972 6.879271 7.528564       12.14586 
1 1 1 -11 4  37 o 115.3231 3.455090 655.5762       38.95757 659.5861       55.18385 651.5923       55.00523 115.2603 4.902516 114.5537 4.917009 0.7066116      6.943461 
1 1 1 -11 4  38 o 93.59630 3.965218 433.5866       36.24490 448.7151       45.27848 406.6000       60.47387 94.94473 4.888544 89.59723 6.949824 5.347496       8.496936 
1 1 1 -11 4  39 o 37.36459 7.076309 72.71109       24.93325 71.97250       30.89743 74.09000       42.21719 36.73790 8.723008 37.01660 10.91126 -0.2786942     13.96948 
1 1 1 -11 4  40 o 138.1639 3.660135 944.0618       49.45557 878.3632       67.25232 1021.427       72.97968 132.5689 5.192784 142.9543 5.224316 -10.38545      7.366035 
1 1 1 -11 4  41 o 35.53720 6.836094 66.02522       22.91595 66.40089       31.69018 65.61348       33.17702 35.05165 9.142699 34.80068 9.483126 0.2509766      13.17265 
1 1 1 -11 4  42 o 128.3610 3.636268 816.1725       45.64122 829.0991       64.89075 803.5166       64.20755 128.5941 5.165833 126.5755 5.193423 2.018639       7.325127 
1 1 1 -11 4  43 o 24.99772 8.189525 31.79209       23.10722 20.48959       32.24780 43.71931       33.12703 23.89305 9.401419 29.10454 9.813704 -5.211487      13.59027 
1 1 1 -11 4  44 o 75.43739 4.643624 285.9062       34.12244 268.6853       40.35527 329.1000       63.91228 72.63710 5.722088 78.73563 8.423654 -6.098526      10.18333 
1 1 1 -11 4  45 o 37.58997 6.806084 74.89776       24.12065 94.92425       33.20926 52.53613       35.09204 41.67934 8.430121 30.92170 10.08993 10.75764       13.14814 
1 1 1 -11 4  46 o 35.41142 7.023942 67.42169       23.48622 48.17419       32.83419 87.58757       33.60839 29.56056 9.766085 39.55904 8.895976 -9.998472      13.21041 
1 1 1 -11 4  47 f 30.05045 8.393904 50.33758       25.63535 57.68000       42.02299 45.98566       32.35246 31.87313 11.04514 28.89920 9.698016 2.973921       14.69852 
1 1 1 -11 4  48 o 49.37989 5.138086 125.3969       24.47188 110.2109       34.41666 140.9262       34.80351 44.68029 8.170478 51.30265 7.122555 -6.622356      10.83916 
1 1 1 -11 4  49 o 79.70278 3.830344 319.0269       29.79506 339.9926       42.46807 298.7032       41.81274 81.30598 5.366225 75.98130 5.662782 5.324684       7.801505 
1 1 1 -11 4  50 o 74.39339 3.947072 278.9723       28.63904 259.2122       39.60686 300.6248       41.46012 70.53838 5.787234 76.13425 5.602694 -5.595871      8.054953 
1 1 1 -11 4  51 f 46.21237 5.475564 111.5655       24.28742 116.2255       33.86990 106.6330       34.84609 45.75687 7.844438 43.34018 8.517913 2.416691       11.57973 
1 1 1 -11 4  52 o 14.61824 6.728543 -12.42019      22.18564 3.788885       31.54337 -28.28822      31.20976 19.89429 8.659081 15.87694 7.521951 4.017351       11.46994 
1 1 1 -11 4  53 o 57.67154 6.661192 179.4644       36.91248 184.0000       58.13039 176.4000       47.78212 53.97822 11.36221 55.00180 9.199951 -1.023582      14.61981 
1 1 1 -11 4  54 o 57.04377 4.744869 167.9274       26.25380 147.3475       37.51785 187.6746       36.75099 51.34289 7.702750 59.07473 6.460902 -7.731834      10.05364 
1 1 1 -11 4  55 o 17.29614 7.621963 -0.5682029     25.12102 -17.50571      32.67336 23.92000       39.28688 17.29032 8.030830 24.27474 10.07207 -6.984415      12.88180 
1 1 1 -11 4  56 f 23.09904 8.491741 27.84889       25.21189 16.85872       31.90580 46.12000       41.13864 21.85976 9.073977 28.20458 10.74729 -6.344824      14.06561 
1 1 1 -11 4  57 o 22.02370 8.630657 22.18151       27.08210 66.42155       32.63026 -75.76000      48.55077 32.91953 9.562155 16.94157 8.336223 15.97795       12.68572 
1 1 1 -11 4  58 o 33.41319 8.335217 65.73964       27.16937 112.2000       47.56067 43.23348       33.10224 41.04177 11.42183 27.12942 9.765928 13.91235       15.02769 
1 1 1 -11 4  59 o 38.70248 9.456487 92.21079       35.51400 106.5000       49.74731 77.36000       50.71546 39.14849 11.91632 33.38343 12.07861 5.765057       16.96737 
1 1 1 -11 4  60 o 14.53121 6.732547 -12.80771      22.74730 -32.03147      32.85357 4.894435       31.52654 15.69310 7.513251 19.53932 8.576995 -3.846217      11.40236 
1 1 1 -11 4  61 o 34.09121 7.462058 67.44123       24.20785 66.02946       35.26837 68.69888       33.28758 31.76236 10.09278 32.69353 9.702191 -0.9311733     13.99989 
1 1 1 -11 5  1  o 258.9939 5.102849 3285.397       129.3625 3407.741       187.6075 3174.500       178.6159 263.5677 7.278936 254.3889 7.180429 9.178711       10.22455 
1 1 1 -11 5  2  o 295.5871 5.736859 4280.254       165.9839 4265.701       235.0631 4294.726       234.4116 294.8262 8.153223 295.8333 8.102799 -1.007050      11.49480 
1 1 1 -11 5  3  f 267.0726 7.456467 3499.372       194.7347 3781.000       290.3108 3269.000       262.5674 277.2701 10.71698 257.8199 10.42593 19.45026       14.95171 
1 1 1 -11 5  4  o 194.0782 4.072290 1844.365       77.36092 1820.545       108.8650 1868.662       109.9528 192.6857 5.778615 195.2188 5.760412 -2.533157      8.159334 
1 1 1 -11 5  5  o 522.7822 11.30335 13428.19       578.4076 12871.13       686.5920 14790.00       1073.508 511.1672 13.73483 545.9865 20.12151 -34.81934      24.36228 
1 1 1 -11 5  6  o 236.5914 5.489044 2742.109       127.1165 2794.071       157.4954 2645.000       215.3067 238.6700 6.748388 231.9528 9.503254 6.717194       11.65558 
1 1 1 -11 5  7  o 338.0296 7.488988 5602.362       247.7902 5756.677       309.3293 5326.000       413.9571 342.3686 9.238853 328.7562 12.88895 13.61234       15.85816 
1 1 1 -11 5  8  o 219.2449 5.186848 2354.652       111.3113 2402.437       138.0896 2266.000       188.0876 221.3157 6.381106 214.7001 8.969729 6.615662       11.00793 
1 1 1 -11 5  9  o 392.4426 7.435218 7552.193       285.6118 7633.614       406.9806 7473.179       400.9197 394.0233 10.56178 389.8658 10.51557 4.157593       14.90398 
1 1 1 -11 5  10 o 98.29408 3.166566 473.5274       30.42672 452.3021       41.95185 497.0837       44.19553 95.99342 4.477147 100.6419 4.497714 -4.648499      6.346201 
1 1 1 -11 5  11 o 199.7255 4.193605 1953.693       81.98363 1913.589       114.6915 1995.594       117.2351 197.5045 5.939388 201.6954 5.944694 -4.190842      8.403316 
1 1 1 -11 5  12 o 181.7018 3.934821 1616.945       69.98264 1603.925       98.34811 1630.300       99.60466 180.8210 5.563240 182.3011 5.588526 -1.480087      7.885509 
1 1 1 -11 5  13 o 259.9749 5.156020 3312.068       131.2056 3258.538       183.5660 3367.980       187.6054 257.5978 7.287534 261.8867 7.325757 -4.288910      10.33319 
1 1 1 -11 5  14 o 456.7025 8.597939 10247.94       384.3563 10057.43       536.2887 10449.14       551.1394 451.4039 12.14849 460.0844 12.24910 -8.680481      17.25185 
1 1 1 -11 5  15 o 176.4332 3.866594 1524.803       66.77521 1479.813       92.83160 1573.041       96.12321 173.6500 5.468354 179.0396 5.491444 -5.389664      7.749765 
1 1 1 -11 5  16 f 246.0533 4.932958 2967.633       118.8072 2853.716       163.8160 3094.039       172.5625 241.0006 6.951621 250.9401 7.032318 -9.939499      9.888303 
1 1 1 -11 5  17 o 174.0119 3.852099 1483.499       65.61189 1418.490       90.52478 1555.445       95.23258 169.9811 5.447809 178.0035 5.472263 -8.022385      7.721676 
1 1 1 -11 5  18 o 151.9934 3.576761 1131.748       53.21338 1097.818       73.84941 1168.390       76.74419 149.5402 5.052507 154.2738 5.089111 -4.733551      7.171254 
1 1 1 -11 5  19 o 157.3282 4.208178 1214.014       64.74654 1147.786       76.92017 1375.000       119.9258 152.8905 5.147226 167.0887 7.350615 -14.19818      8.973599 
1 1 1 -11 5  20 o 174.4523 4.515284 1493.111       77.03762 1389.000       129.8341 1549.683       95.70589 167.8221 7.926149 177.6235 5.511347 -9.801407      9.653952 
1 1 1 -11 5  21 f 267.3291 5.302513 3506.939       138.7504 3404.210       192.1847 3618.780       200.5264 262.9343 7.474915 271.0808 7.564695 -8.146515      10.63480 
1 1 1 -11 5  22 o 137.4001 3.944327 926.1720       52.99274 899.3000       87.31788 941.8406       66.67578 135.0938 6.623500 138.4660 4.927328 -3.372253      8.255260 
1 1 1 -11 5  23 o 100.6471 4.694299 498.0167       46.11904 0.000000       0.000000 498.0167       46.11904 ?        ?        100.6471 4.694299 ?              ?        
1 1 1 -11 5  24 o 213.2599 4.446095 2230.846       92.80984 2140.313       127.8192 2331.805       134.9792 208.5641 6.268207 217.6888 6.341436 -9.124680      8.916514 
1 1 1 -11 5  25 o 213.8557 6.369556 2251.115       133.1840 2284.000       191.0095 2220.000       185.7997 214.7788 9.106343 211.7757 8.983598 3.003067       12.79181 
1 1 1 -11 5  26 o 276.3045 6.328013 3755.639       171.1440 3746.556       209.2352 3774.000       297.4923 275.5063 7.766591 275.3215 11.06151 0.1848145      13.51580 
1 1 1 -11 5  27 o 176.1951 3.939807 1522.707       67.94772 1468.954       94.17175 1581.081       98.13599 172.7788 5.575618 179.2541 5.599974 -6.475296      7.902356 
1 1 1 -11 5  28 o 77.98545 3.541538 298.8256       26.96354 286.2258       38.24175 311.2820       38.02358 76.14819 5.161142 79.45610 4.913025 -3.307915      7.125672 
1 1 1 -11 5  29 o 222.4830 5.300087 2434.234       115.4213 2643.000       208.3278 2341.770       138.6455 230.5187 9.251621 217.8557 6.509057 12.66302       11.31196 
1 1 1 -11 5  30 o 61.81788 3.907392 188.3185       23.52228 163.2439       32.67219 215.3011       33.89242 57.26316 5.914026 65.93962 5.295586 -8.676464      7.938446 
1 1 1 -11 5  31 o 81.53790 3.889639 327.2051       30.95429 363.4000       50.70799 305.7061       39.08070 85.60847 6.091155 78.64539 5.104289 6.963074       7.947071 
1 1 1 -11 5  32 o 141.8392 4.134235 989.8187       57.33686 948.8152       68.37109 1087.000       105.2577 138.6888 5.044860 147.8399 7.296251 -9.151093      8.870507 
1 1 1 -11 5  33 o 39.11699 5.620283 77.09761       20.90228 42.28679       28.46109 117.8585       30.79754 29.07499 9.043015 48.30756 6.692776 -19.23257      11.25031 
1 1 1 -11 5  34 f 17.71366 7.144794 7.185981       19.08460 8.440219       26.41319 5.815935       27.60568 20.46147 8.349277 20.33035 8.439859 0.1311226      11.87189 
1 1 1 -11 5  35 o 60.01701 3.989756 178.2164       23.30527 190.2420       32.75856 165.8924       33.16240 61.73140 5.478240 57.50088 5.979249 4.230522       8.109410 
1 1 1 -11 5  36 o 87.20140 4.118877 375.9579       35.05737 499.9000       69.97056 334.4164       40.50863 99.59937 7.226307 82.01324 5.070920 17.58613       8.828009 
1 1 1 -11 5  37 o 39.73480 7.124599 81.61674       26.69211 84.27000       52.70551 80.70149       30.95541 39.67262 12.30058 39.18693 8.327315 0.4856873      14.85424 
1 1 1 -11 5  38 o 17.36296 7.254647 3.740261       20.58836 31.36853       28.89907 -24.73479      29.33859 25.96934 9.148360 16.28366 7.579094 9.685671       11.88003 
1 1 1 -11 5  39 o 27.05800 7.732026 38.25945       21.49979 47.01228       29.76085 28.70519       31.09349 30.00686 9.232734 25.66195 9.430970 4.344913       13.19798 
1 1 1 -11 5  40 o 120.7975 4.058996 723.6887       47.92537 751.6870       59.62878 672.6000       80.54741 122.7114 4.974688 114.8362 7.202099 7.875290       8.753157 
1 1 1 -11 5  41 o 74.10239 4.444445 273.9162       32.08895 265.9183       39.51671 289.4000       54.98367 72.60666 5.603628 74.85365 7.610060 -2.246986      9.450590 
1 1 1 -11 5  42 o 73.13670 4.013221 266.2477       28.61982 249.4397       40.25187 283.4328       40.70095 70.09407 5.922122 74.88796 5.592863 -4.793892      8.145651 
1 1 1 -11 5  43 o 59.38233 5.543746 179.0045       31.85069 174.5345       37.97949 189.6000       58.47345 58.11152 6.805770 58.55766 10.59138 -0.4461403     12.58952 
1 1 1 -11 5  44 f 92.52058 3.724025 425.9152       33.65649 397.6674       46.81163 456.1427       48.42426 88.58394 5.424756 95.00832 5.227234 -6.424385      7.533389 
1 1 1 -11 5  45 o 37.39904 6.804207 74.22627       23.99100 54.21038       34.07181 93.90868       33.78679 31.26122 9.918498 41.31995 8.632471 -10.05873      13.14900 
1 1 1 -11 5  46 o 63.02137 4.939122 202.0772       30.22474 141.5000       48.84983 239.6522       38.47317 49.51045 10.41078 68.17284 5.821188 -18.66240      11.92772 
1 1 1 -11 5  47 o 30.73084 7.703317 52.09642       23.12465 82.94499       33.25970 23.22947       32.17372 38.26175 9.027517 23.83748 9.387235 14.42426       13.02368 
1 1 1 -11 5  48 o 41.67570 6.036286 91.37392       23.90791 101.3623       34.16538 81.78961       33.46721 42.59727 8.492163 37.80792 9.144287 4.789352       12.47938 
1 1 1 -11 5  49 o 20.85154 7.909610 19.03064       22.22035 3.306327       31.57769 34.45313       31.27315 20.07648 8.701624 25.89480 9.467685 -5.818323      12.85906 
1 1 1 -11 5  50 o 52.35751 4.983829 141.1250       25.23391 149.8977       36.12008 132.7616       35.26747 52.63666 7.199023 49.26487 7.554192 3.371796       10.43512 
1 1 1 -11 5  51 o 27.61330 8.028967 43.02864       22.99485 22.31902       32.48959 63.81504       32.54975 23.33654 9.353666 32.84180 9.553479 -9.505259      13.37012 
1 1 1 -11 5  52 o 41.94422 7.008206 96.29505       27.75857 82.92110       35.32024 117.9000       44.89214 37.18278 9.629022 43.72811 10.59982 -6.545330      14.32042 
1 1 1 -11 5  53 o 49.70543 5.193012 128.9080       24.89326 156.2995       36.05479 103.9565       34.41144 53.45887 7.062912 42.40613 8.585131 11.05273       11.11707 
1 1 1 -11 5  54 o 27.11511 8.868038 42.51391       27.09998 79.42000       52.44787 29.07186       31.65276 34.47474 12.30667 24.24427 9.378526 10.23047       15.47291 
1 1 1 -11 5  55 o 29.60489 8.007024 50.73179       23.75753 47.53435       34.47684 53.62286       32.78354 28.30881 9.990577 29.75011 9.755141 -1.441303      13.96332 
1 1 1 -11 5  56 o 24.06694 9.508749 27.87558       33.10931 27.87558       33.10931 0.000000       0.000000 24.06694 9.508749 ?        ?        ?              ?        
1 1 1 -11 5  57 o 15.61381 7.397595 -26.20052      30.19233 -37.39000      45.51841 -17.41000      40.34498 18.69780 8.922196 19.22361 8.927137 -0.5258064     12.62139 
1 1 1 -11 5  58 o 43.43377 6.052870 101.7397       25.03518 101.5714       35.89671 101.8992       34.93314 41.08400 9.160089 41.38166 8.889520 -0.2976608     12.76443 
1 1 1 -11 5  59 o 22.77134 8.153060 28.14498       23.03670 -5.550619      33.53986 58.23740       31.69591 18.72407 8.485250 30.60981 9.546656 -11.88574      12.77255 
1 1 1 -11 5  60 o 31.33905 8.903327 60.42912       28.58930 61.90743       34.80004 57.36000       50.14222 30.98085 10.04346 29.60173 11.69979 1.379124       15.41934 
1 1 1 -11 5  61 o 33.54443 7.528066 65.73708       24.10928 123.1864       35.36617 15.86046       32.95293 45.61215 8.223868 21.33977 9.060970 24.27238       12.23655 
1 1 1 -11 6  1  o 388.4016 7.361141 7395.366       279.8545 7569.279       402.9204 7233.267       388.9949 392.4666 10.49786 383.6697 10.36761 8.796875       14.75440 
1 1 1 -11 6  2  o 518.1498 13.77267 13225.71       697.9019 14370.00       1046.766 12310.00       936.3956 538.2341 19.90311 498.3322 19.23314 39.90182       27.67756 
1 1 1 -11 6  3  o 332.2549 6.367860 5409.611       207.0957 5500.732       296.5774 5322.900       289.3128 334.7040 9.060885 329.2542 8.985375 5.449768       12.76075 
1 1 1 -11 6  4  o 518.7261 9.695993 13208.00       492.3077 13228.12       697.2883 13187.99       695.1730 518.1666 13.76009 517.3848 13.73908 0.7818604      19.44485 
1 1 1 -11 6  5  o 265.8655 5.236128 3462.440       136.2632 3417.844       191.4382 3508.238       193.9978 263.9273 7.417695 267.3972 7.419140 -3.469910      10.49123 
1 1 1 -11 6  6  o 305.6962 6.840394 4580.616       204.6809 4674.076       254.1203 4408.000       345.3566 308.5628 8.421624 299.1956 11.81575 9.367249       14.50985 
1 1 1 -11 6  7  o 161.9866 4.226923 1285.860       66.96355 1280.937       81.61752 1296.000       117.1285 161.6246 5.165683 162.4110 7.387193 -0.7863464     9.014151 
1 1 1 -11 6  8  o 341.5149 7.561863 5719.791       252.7811 5747.293       310.7547 5666.000       434.5969 342.0329 9.290649 338.9632 13.12348 3.069672       16.07924 
1 1 1 -11 6  9  o 194.3583 4.761431 1850.357       90.58301 1893.725       112.3993 1770.000       152.9996 196.4930 5.850518 189.7495 8.257424 6.743561       10.11996 
1 1 1 -11 6  10 o 215.2236 4.426435 2268.841       93.25030 2274.782       132.0591 2262.933       131.6933 215.3275 6.272285 214.7656 6.271309 0.5619354      8.869660 
1 1 1 -11 6  11 f 420.3600 7.938169 8672.242       326.6239 8727.613       464.0862 8617.895       459.7760 420.9556 11.27320 418.3073 11.23928 2.648315       15.91874 
1 1 1 -11 6  12 o 377.1976 7.172958 6980.407       264.8338 7021.501       376.1290 6940.004       372.9543 377.7012 10.18307 375.5068 10.15618 2.194366       14.38204 
1 1 1 -11 6  13 f 262.4613 5.192805 3376.081       133.4055 3349.556       187.6208 3403.204       189.7245 261.1435 7.347292 263.2251 7.370850 -2.081635      10.40731 
1 1 1 -11 6  14 o 194.1613 4.109915 1846.778       78.10912 1838.673       110.0152 1855.017       110.9163 193.5559 5.813430 194.4130 5.835197 -0.8570709     8.236837 
1 1 1 -11 6  15 o 233.5022 4.725801 2672.136       108.0122 2608.532       150.3421 2739.987       155.2822 230.4528 6.671904 236.1864 6.723616 -5.733566      9.472133 
1 1 1 -11 6  16 f 216.4026 4.459847 2295.022       94.46887 2160.453       128.5814 2452.858       139.2543 209.7315 6.270414 223.4734 6.372655 -13.74191      8.940291 
1 1 1 -11 6  17 o 143.6032 3.490074 1010.174       49.05746 960.9440       67.28313 1066.050       71.68096 139.9121 4.920637 147.3693 4.976386 -7.457169      6.998363 
1 1 1 -11 6  18 o 149.0150 4.172469 1089.112       60.79974 1033.000       104.2085 1118.070       74.86230 144.7856 7.377443 150.9075 5.075331 -6.121994      8.954644 
1 1 1 -11 6  19 o 387.1694 7.376384 7369.944       279.5444 7193.970       388.5858 7558.699       402.4496 381.5175 10.41532 391.0362 10.52406 -9.518646      14.80658 
1 1 1 -11 6  20 o 105.8612 3.223831 549.4945       33.36636 494.1807       45.01824 616.9200       49.70317 100.2842 4.598403 112.0764 4.540082 -11.79213      6.462017 
1 1 1 -11 6  21 o 110.0265 3.252294 593.6071       34.98779 588.1325       48.74466 599.4250       50.25009 109.4165 4.561332 110.4549 4.658239 -1.038414      6.519582 
1 1 1 -11 6  22 o 86.73966 3.268158 369.1558       27.69807 355.6660       38.07565 384.3177       40.36665 85.03112 4.591741 88.39071 4.682329 -3.359589      6.558070 
1 1 1 -11 6  23 o 144.8275 4.008119 1029.146       56.76492 891.2000       89.16376 1123.161       73.60942 134.4317 6.798176 151.2018 4.980387 -16.77011      8.427304 
1 1 1 -11 6  24 o 77.13206 3.915427 292.4358       29.46438 279.1884       35.25907 323.1000       53.64413 75.27490 4.810533 80.74580 6.851926 -5.470894      8.371984 
1 1 1 -11 6  25 o 218.9543 5.243960 2354.238       112.3878 2359.888       137.7753 2343.000       194.2981 218.9371 6.436021 217.4973 9.147008 1.439758       11.18437 
1 1 1 -11 6  26 o 144.6307 3.581189 1025.509       50.69837 983.6120       70.27333 1070.986       73.21367 141.4325 5.084431 147.5895 5.075482 -6.156982      7.184146 
1 1 1 -11 6  27 f 128.9970 3.879748 816.9161       48.93228 796.7000       79.48356 829.2540       62.09388 127.0487 6.412203 129.8506 4.894143 -2.801895      8.066535 
1 1 1 -11 6  28 o 143.7266 4.018499 1014.364       56.47821 965.8000       92.30111 1043.429       71.40624 139.8126 6.764646 145.6390 5.016503 -5.826401      8.421742 
1 1 1 -11 6  29 o 295.5540 5.820899 4300.902       168.3965 4157.214       233.3215 4457.129       243.2884 289.5930 8.239526 299.8383 8.297472 -10.24527      11.69349 
1 1 1 -11 6  30 o 178.2074 3.966627 1559.192       69.19157 1590.632       98.90912 1529.061       96.82742 179.6210 5.632617 176.1087 5.624301 3.512268       7.959845 
1 1 1 -11 6  31 o 193.2712 4.179496 1835.582       79.06736 1822.538       111.1989 1848.920       112.4478 192.1030 5.920780 193.4826 5.944541 -1.379654      8.390066 
1 1 1 -11 6  32 o 61.46257 3.831891 186.3321       22.93846 199.0196       32.05178 173.0109       32.84244 63.32570 5.217133 58.91692 5.768792 4.408779       7.778010 
1 1 1 -11 6  33 o 23.11663 8.072217 23.94034       22.46747 39.96624       26.42396 -17.88000      42.68551 28.22080 8.702699 21.62559 9.706293 6.595211       13.03645 
1 1 1 -11 6  34 o 90.56531 3.356327 403.6584       29.70164 356.3687       40.48143 458.8008       43.71343 84.81484 4.896979 96.32362 4.650083 -11.50878      6.753049 
1 1 1 -11 6  35 o 97.69304 3.388130 469.9644       32.34983 441.8120       45.01468 500.0332       46.52166 94.40396 4.888092 100.4833 4.743324 -6.079330      6.811209 
1 1 1 -11 6  36 o 33.18399 6.595833 56.87669       20.66932 92.08208       29.44670 22.68502       29.01965 42.24620 7.390022 24.08556 9.060710 18.16064       11.69226 
1 1 1 -11 6  37 o 64.98318 4.754182 210.3961       30.03083 248.9000       59.63706 197.3158       34.75951 69.23516 9.013812 62.66685 5.730031 6.568310       10.68092 
1 1 1 -11 6  38 o 16.23813 7.340689 -12.09986      24.91915 14.31000       49.53786 -21.04653      28.83269 27.01694 11.26807 16.52405 7.629000 10.49289       13.60776 
1 1 1 -11 6  39 o 85.22065 3.595768 359.2596       29.92717 346.3690       41.65108 373.0175       43.02938 83.21464 5.138589 86.37684 5.112205 -3.162201      7.248430 
1 1 1 -11 6  40 o 59.55576 4.431207 177.1078       25.64653 150.7950       35.19129 206.9128       37.45369 54.19231 6.782354 63.87149 6.063375 -9.679180      9.097519 
1 1 1 -11 6  41 o 43.69658 6.427824 98.40805       26.67193 93.82288       32.77415 107.4000       45.89656 42.00058 8.266521 44.02160 10.74671 -2.021023      13.55829 
1 1 1 -11 6  42 o 85.75766 5.399400 370.6521       45.09357 370.6521       45.09357 0.000000       0.000000 85.75766 5.399400 ?        ?        ?              ?        
1 1 1 -11 6  43 o 37.91096 6.888433 75.57562       24.62054 62.77682       34.36525 89.07298       35.29060 33.76807 9.814371 40.33746 9.149193 -6.569382      13.41751 
1 1 1 -11 6  44 o 31.50108 7.826231 53.79982       24.02411 21.68945       33.64714 87.19387       34.31310 24.20979 9.579226 39.75317 9.025199 -15.54338      13.16115 
1 1 1 -11 6  45 o 100.8339 4.111465 509.1122       40.49463 519.1000       66.95535 503.3518       50.84857 99.81337 6.895533 99.56635 5.235873 0.2470245      8.658102 
1 1 1 -11 6  46 o 22.02711 7.990044 22.95197       22.21082 50.86398       31.67106 -4.061195      31.15694 30.14624 9.562432 19.04484 8.436023 11.10139       12.75173 
1 1 1 -11 6  47 o 31.32838 7.648842 54.13243       23.24791 54.76520       34.17330 53.58729       31.71875 30.99891 9.944073 30.71716 9.545372 0.2817478      13.78400 
1 1 1 -11 6  48 o 23.78110 8.179287 29.39038       23.02862 17.59673       33.35209 40.13593       31.83559 22.89400 9.366755 27.30343 9.603280 -4.409435      13.41488 
1 1 1 -11 6  49 o 31.33824 7.627392 54.58908       23.17266 18.04845       32.60395 91.88870       32.94083 22.75235 9.279217 40.31628 8.609177 -17.56393      12.65787 
1 1 1 -11 6  50 o 28.41208 7.877793 45.33090       22.67072 14.50042       31.64185 77.85185       32.49776 21.82544 9.045979 36.62929 9.103612 -14.80385      12.83376 
1 1 1 -11 6  51 o 42.69870 6.724323 98.44501       27.17557 86.81337       33.88867 119.4000       45.48602 38.59828 9.116190 44.24463 10.63499 -5.646355      14.00742 
1 1 1 -11 6  52 o 43.91589 5.838715 102.2771       24.47707 56.32631       34.71868 147.6872       34.51383 30.60497 10.03912 52.12270 6.936951 -21.51773      12.20267 
1 1 1 -11 6  53 o 55.46729 5.349391 160.9658       28.68353 178.4000       48.90486 151.8234       35.41452 55.00438 9.422153 52.65512 7.048075 2.349255       11.76658 
1 1 1 -11 6  54 o 27.38597 8.080620 43.09869       23.14446 32.34645       33.49899 52.91872       32.01390 25.11752 9.666195 29.70799 9.633199 -4.590467      13.64675 
1 1 1 -11 6  55 o 20.99128 9.183681 5.950936       35.87630 8.508000       50.45525 3.336000       51.02301 23.96428 10.66828 23.50572 10.57592 0.4585667      15.02206 
1 1 1 -11 6  56 o 20.43004 8.720901 9.771602       30.81010 0.000000       0.000000 9.771602       30.81010 ?        ?        20.43004 8.720901 ?              ?        
1 1 1 -11 6  57 o 48.87859 7.452873 133.6978       34.53097 129.5000       49.75031 137.6000       47.96685 44.42149 11.38915 46.56908 10.74188 -2.147587      15.65570 
1 1 1 -11 6  58 o 37.77952 7.726329 81.68630       27.60707 56.70722       34.42505 126.7000       46.21241 30.20633 10.00068 44.48113 10.73719 -14.27480      14.67313 
1 1 1 -11 6  59 o 23.25471 8.175570 29.98731       23.07148 56.71022       33.66665 6.325286       31.67991 30.04454 9.887447 19.87963 8.664882 10.16491       13.14693 
1 1 1 -11 6  60 f 19.47049 8.152762 12.10697       26.08584 10.02000       46.29631 13.07774       31.57528 22.83813 10.18966 20.75659 8.843430 2.081541       13.49205 
1 1 1 -11 6  61 o 17.31003 7.939164 -8.623093      30.50989 -1.877000      45.81202 -14.00000      40.89964 21.27366 9.746394 19.16463 8.929620 2.109030       13.21856 
1 1 1 -11 7  1  o 527.1382 9.852973 13642.30       508.3912 14068.58       735.7189 13252.73       703.3224 534.2578 14.08100 518.5795 13.86829 15.67828       19.76370 
1 1 1 -11 7  2  o 254.3904 5.037704 3169.830       125.4411 3196.766       179.0157 3143.845       175.8281 255.2608 7.171857 253.1434 7.103050 2.117340       10.09400 
1 1 1 -11 7  3  o 164.4406 3.643567 1323.987       58.64650 1303.192       82.88966 1344.831       82.98778 163.0246 5.201123 165.6157 5.125422 -2.591064      7.302166 
1 1 1 -11 7  4  o 435.6970 8.219180 9311.580       350.5252 9059.469       487.4808 9581.481       504.3864 429.1222 11.61636 441.3070 11.68688 -12.18481      16.47796 
1 1 1 -11 7  5  o 294.8326 5.729568 4259.062       165.3498 4407.205       239.6172 4124.392       228.4612 299.6316 8.177690 289.8637 8.059983 9.767853       11.48207 
1 1 1 -11 7  6  o 406.3266 7.680924 8097.091       305.4886 8193.949       435.8666 8003.574       428.2854 408.1734 10.91925 403.4119 10.85609 4.761536       15.39755 
1 1 1 -11 7  7  f 160.2403 3.639605 1257.279       57.08634 1240.390       80.51565 1274.352       80.95067 159.0366 5.179128 161.2040 5.136807 -2.167389      7.294529 
1 1 1 -11 7  8  o 186.1467 4.627681 1697.265       84.31892 1695.424       103.0239 1701.000       146.7458 185.9209 5.667755 186.0187 8.078667 -0.9771729E-01 9.868551 
1 1 1 -11 7  9  o 254.0260 5.845595 3162.647       145.3493 3228.630       180.2562 3040.000       245.7549 256.4689 7.187498 248.4951 10.12485 7.973785       12.41663 
1 1 1 -11 7  10 o 446.6151 8.413070 9793.058       367.7851 9645.173       514.4693 9947.631       525.9747 442.3762 11.89202 449.2425 11.97196 -6.866302      16.87448 
1 1 1 -11 7  11 o 68.37366 3.302213 229.4514       22.03506 197.1391       29.45681 270.5051       33.20299 63.25145 4.793519 74.16522 4.596319 -10.91377      6.641082 
1 1 1 -11 7  12 o 244.0519 4.889031 2918.610       116.7915 2891.328       164.2444 2946.514       166.1076 242.6605 6.921962 244.9657 6.934499 -2.305283      9.798002 
1 1 1 -11 7  13 o 94.11736 3.099834 434.2284       28.51816 423.0351       39.29242 446.6884       41.45603 92.82197 4.336646 95.37914 4.452752 -2.557167      6.215585 
1 1 1 -11 7  14 o 113.6132 3.203737 632.6292       35.59245 633.3851       49.94567 631.8492       50.73425 113.6028 4.500521 113.4593 4.577702 0.1435013      6.419505 
1 1 1 -11 7  15 o 70.36271 3.301688 243.0126       22.67628 222.3843       30.43547 268.7520       33.99762 67.19959 4.655869 73.89830 4.724859 -6.698708      6.633356 
1 1 1 -11 7  16 o 82.85361 3.660991 336.9491       29.61711 314.2333       34.99438 394.3000       55.60384 79.94496 4.490036 89.39973 6.396489 -9.454773      7.815081 
1 1 1 -11 7  17 o 62.81500 4.470377 194.3833       27.30652 133.6000       49.17197 221.4865       32.83485 51.15828 10.17785 67.01771 5.042386 -15.85943      11.35845 
1 1 1 -11 7  18 o 202.4160 4.249773 2008.227       84.20089 1963.959       117.2048 2055.442       121.0441 199.9362 5.995682 204.5365 6.052635 -4.600281      8.519542 
1 1 1 -11 7  19 o 137.5547 3.419952 926.9917       46.04702 888.4116       63.43967 969.9493       66.94202 134.5069 4.826302 140.5470 4.873360 -6.040100      6.858777 
1 1 1 -11 7  20 o 244.0471 4.916498 2921.642       117.4453 2803.137       161.5255 3054.565       171.0707 238.6773 6.921217 249.1407 7.021957 -10.46333      9.859571 
1 1 1 -11 7  21 f 157.6395 3.644324 1217.849       56.23261 1221.326       79.11121 1214.298       79.94518 157.6769 5.132665 157.2141 5.202274 0.4628143      7.308072 
1 1 1 -11 7  22 o 94.20318 3.208832 435.3020       29.54502 415.1145       40.32100 458.7081       43.41646 91.88778 4.496640 96.59290 4.605276 -4.705124      6.436485 
1 1 1 -11 7  23 o 194.6817 4.795303 1859.776       91.37923 1877.546       112.3262 1825.000       157.1328 195.3942 5.879733 192.1625 8.374057 3.231705       10.23211 
1 1 1 -11 7  24 o 97.26362 3.741403 464.4518       35.55335 439.0512       42.43255 524.3000       65.13325 94.48464 4.601929 103.0428 6.490689 -8.558205      7.956556 
1 1 1 -11 7  25 o 116.8958 3.340720 670.2631       38.18560 641.9764       52.74174 701.4261       55.35841 114.2709 4.725532 119.4513 4.744071 -5.180374      6.696033 
1 1 1 -11 7  26 o 182.1773 4.580947 1630.049       81.62276 1546.000       134.0193 1679.607       102.9107 176.8282 7.761919 184.7506 5.697546 -7.922363      9.628572 
1 1 1 -11 7  27 o 369.8751 8.209995 6763.082       297.2379 6383.000       492.7719 6980.467       372.6685 355.5667 14.18703 374.6420 10.17190 -19.07535      17.45678 
1 1 1 -11 7  28 o 128.8468 3.433703 814.6771       43.26683 759.9096       60.22516 873.0946       62.19969 124.2536 4.961774 133.2261 4.777452 -8.972511      6.887906 
1 1 1 -11 7  29 o 230.7631 4.743195 2617.156       107.1380 2627.902       152.1701 2606.592       150.8703 230.6471 6.747489 229.7189 6.716880 0.9282227      9.520771 
1 1 1 -11 7  30 o 62.22504 3.809074 190.7876       23.08898 220.9755       32.07122 158.3064       33.26710 66.84252 4.936646 56.32457 6.133011 10.51795       7.873011 
1 1 1 -11 7  31 o 122.3370 3.400848 735.1365       40.68458 722.8398       56.87254 748.0249       58.22464 121.0895 4.807887 123.1785 4.838508 -2.089005      6.821065 
1 1 1 -11 7  32 f 68.24746 3.581010 229.4116       23.83834 221.2616       32.65482 238.7101       34.88011 66.81218 5.030217 69.38625 5.172905 -2.574066      7.215402 
1 1 1 -11 7  33 o 133.6821 3.463774 878.7430       45.28590 876.0731       63.86806 881.4425       64.22126 133.1650 4.908300 133.5699 4.920474 -0.4048920     6.949997 
1 1 1 -11 7  34 o 92.35732 3.787969 420.5123       34.17129 436.0000       54.73247 410.6189       43.74438 93.53885 6.009670 91.03391 4.927592 2.504936       7.771570 
1 1 1 -11 7  35 o 35.95597 5.982864 65.93328       20.31689 80.76359       28.06195 49.59581       29.45338 39.50383 7.532091 30.95167 9.111181 8.552156       11.82142 
1 1 1 -11 7  36 o 83.23037 3.513112 341.7810       28.55632 347.5525       40.28307 335.9508       40.48718 83.60452 4.944592 82.16222 5.058830 1.442291       7.073948 
1 1 1 -11 7  37 o 25.33719 7.600102 32.94050       20.34138 1.305331       27.76701 69.58229       29.88357 19.40226 8.280513 36.23563 8.562152 -16.83337      11.91123 
1 1 1 -11 7  38 o 22.21280 7.749495 22.80938       20.70420 31.28699       29.00178 13.99825       29.56673 25.93068 9.161981 22.23947 8.919903 3.691214       12.78697 
1 1 1 -11 7  39 o 105.5263 4.146654 552.5634       42.74826 503.7000       75.44077 575.6730       51.88142 99.00832 7.848627 107.4046 4.948244 -8.396324      9.278257 
1 1 1 -11 7  40 o 33.16292 8.482923 58.94077       27.64379 67.13000       52.86036 55.85804       32.43214 35.74471 12.38770 32.28737 9.575475 3.457333       15.65711 
1 1 1 -11 7  41 o 33.58854 8.182024 60.46549       26.64801 49.80861       31.54182 87.04000       49.80861 30.62942 9.518808 39.41487 11.90835 -8.785450      15.24521 
1 1 1 -11 7  42 o 67.78923 4.762439 230.6266       31.39960 215.5024       38.47242 260.8000       54.34077 64.99500 6.119334 70.58670 8.006204 -5.591698      10.07698 
1 1 1 -11 7  43 o 27.94092 8.774769 41.43095       26.73012 53.28938       33.23517 19.71000       44.98043 31.31630 9.777050 26.23339 10.82079 5.082911       14.58356 
1 1 1 -11 7  44 o 55.71927 5.300490 158.1658       28.56084 153.5000       45.11398 161.2865       36.89626 53.01696 9.015880 55.51714 6.940917 -2.500179      11.37816 
1 1 1 -11 7  45 o 65.85079 4.229745 218.0730       27.11932 197.9634       37.73764 239.5487       38.99844 61.70934 6.337638 68.18885 5.900907 -6.479507      8.659466 
1 1 1 -11 7  46 f 70.41103 4.062015 249.1187       27.87668 268.8817       40.19304 230.7998       38.69669 72.25037 5.730251 66.75797 5.985401 5.492401       8.286181 
1 1 1 -11 7  47 o 68.07539 4.224579 233.8875       28.01138 247.5552       41.05119 221.9791       38.31804 68.90555 6.151077 65.28009 6.066164 3.625458       8.639103 
1 1 1 -11 7  48 o 41.05637 6.266681 89.32738       24.38724 89.23682       35.41539 89.40906       33.63128 39.34662 9.336777 39.65511 8.885128 -0.3084869     12.88879 
1 1 1 -11 7  49 o 35.13749 7.086828 67.42108       23.53205 59.74268       33.23162 75.14376       33.32728 31.97830 9.740550 35.92531 9.378489 -3.947008      13.52163 
1 1 1 -11 7  50 f 45.25338 6.400340 109.2481       27.56009 116.3000       34.21076 96.21000       46.51777 45.76721 7.923430 39.12071 11.43246 6.646496       13.90977 
1 1 1 -11 7  51 o 50.11567 6.074204 133.0099       29.18930 79.83000       51.92102 157.5845       35.29496 35.17607 12.27202 54.09185 6.817238 -18.91578      14.03842 
1 1 1 -11 7  52 o 48.34384 5.329797 122.3088       24.80268 146.0418       36.11358 101.1193       34.12354 51.44633 7.382758 41.81455 8.623690 9.631779       11.35223 
1 1 1 -11 7  53 o 62.94732 4.359608 202.7389       26.69559 219.8059       38.49429 186.9256       37.05344 64.16927 6.205986 58.87463 6.539968 5.294640       9.015844 
1 1 1 -11 7  54 o 34.41087 8.540137 69.29836       28.62915 62.28289       34.06526 86.17000       52.82770 31.89770 9.888873 35.63107 12.38191 -3.733372      15.84618 
1 1 1 -11 7  55 o 37.59610 6.794468 77.94200       24.08368 56.61440       35.07221 96.97249       33.12966 30.36440 10.09561 40.77087 8.573938 -10.40647      13.24514 
1 1 1 -11 7  56 o 50.11829 5.982488 134.3277       28.76954 142.6000       51.17736 130.5057       34.78645 46.91806 11.28272 48.17996 7.630180 -1.261902      13.62055 
1 1 1 -11 7  57 o 36.31450 8.016422 76.34703       27.73133 102.7000       49.47689 64.27621       33.48543 38.72379 11.90255 32.16230 9.773857 6.561489       15.40127 
1 1 1 -11 7  58 o 23.57220 8.143697 30.82165       22.83759 35.11344       33.40232 27.05430       31.29502 25.38735 9.681668 23.53860 9.261631 1.848751       13.39823 
1 1 1 -11 7  59 o 35.96452 8.061541 75.84040       27.67568 45.01721       35.55903 123.2000       44.07731 27.33424 10.07862 43.82451 10.42724 -16.49026      14.50193 
1 1 1 -11 7  60 o 50.25375 6.101509 137.6558       29.39900 141.3128       37.99511 132.2000       46.40860 49.03471 8.205935 44.69364 10.74191 4.341072       13.51762 
1 1 1 -11 8  1  o 390.6380 10.51660 7502.511       401.7546 6826.000       531.5378 8404.000       613.5881 371.7942 14.63439 412.4490 15.22462 -40.65475      21.11763 
1 1 1 -11 8  2  o 292.3368 8.083282 4195.333       231.0790 4481.000       342.2460 3956.000       313.2640 301.6537 11.61276 283.4506 11.31359 18.20309       16.21276 
1 1 1 -11 8  3  o 521.3066 9.748202 13345.31       497.4209 13418.04       706.7242 13273.91       700.2393 521.6502 13.85316 518.8538 13.80006 2.796448       19.55382 
1 1 1 -11 8  4  o 428.9852 8.088656 9028.042       339.6448 9530.806       499.1870 8594.667       463.4608 440.0663 11.59893 417.9320 11.33973 22.13431       16.22112 
1 1 1 -11 8  5  o 373.2600 7.113035 6831.604       259.8799 6444.514       352.2960 7293.703       384.9181 362.0680 9.950005 385.1555 10.21903 -23.08752      14.26293 
1 1 1 -11 8  6  o 257.2877 5.101116 3243.064       128.4667 3297.406       184.1398 3191.532       179.3149 259.1980 7.265047 255.0069 7.191046 4.191071       10.22214 
1 1 1 -11 8  7  o 377.4624 7.173816 6987.813       265.0514 7107.452       379.5534 6873.939       370.2965 380.1335 10.20996 373.8471 10.12861 6.286438       14.38165 
1 1 1 -11 8  8  o 165.4153 3.702948 1339.944       59.95559 1318.513       84.38631 1361.790       85.19954 163.9531 5.265137 166.6272 5.230260 -2.674133      7.421407 
1 1 1 -11 8  9  o 386.8861 8.491940 7349.937       321.5854 7349.905       393.7697 7350.000       557.2579 386.4237 10.42003 385.3139 14.80280 1.109863       18.10248 
1 1 1 -11 8  10 o 205.7707 4.969241 2074.762       100.0875 2108.092       123.5062 2011.000       170.8272 207.2646 6.094375 202.1529 8.653198 5.111710       10.58391 
1 1 1 -11 8  11 o 136.5765 3.379249 913.4565       45.17544 874.8774       62.58712 955.4179       65.27293 133.5351 4.796112 139.5546 4.785482 -6.019547      6.775215 
1 1 1 -11 8  12 o 374.8640 7.135610 6897.082       261.8249 6915.507       371.0157 6878.802       369.5414 374.6884 10.12545 373.6952 10.11204 0.9931946      14.31007 
1 1 1 -11 8  13 o 281.8660 5.521676 3895.546       152.3420 3880.496       214.9749 3910.729       215.9166 280.9506 7.824826 282.0431 7.828608 -1.092499      11.06865 
1 1 1 -11 8  14 o 291.7178 5.695139 4173.824       162.6198 4107.422       227.6703 4242.990       232.3598 288.9674 8.057038 293.6949 8.090445 -4.727478      11.41802 
1 1 1 -11 8  15 o 84.27538 3.589601 348.5488       29.54318 341.9636       34.89943 365.2000       55.49561 83.42480 4.288216 85.99287 6.644611 -2.568062      7.908201 
1 1 1 -11 8  16 o 188.9809 4.710021 1750.871       87.12586 1600.000       145.3843 1835.419       108.8339 180.1493 8.266806 193.3234 5.757816 -13.17410      10.07435 
1 1 1 -11 8  17 o 19.64185 6.792054 17.06023       15.88725 0.9695178      19.99934 44.58211       26.15574 16.78719 7.090197 29.75661 8.536263 -12.96942      11.09679 
1 1 1 -11 8  18 o 218.1504 4.488464 2333.164       95.84290 2245.406       132.1816 2430.451       139.1731 213.7324 6.325175 222.3609 6.400927 -8.628464      8.998873 
1 1 1 -11 8  19 o 153.0995 3.570442 1148.534       53.50593 1063.915       72.41611 1250.270       79.40327 147.1793 5.034101 159.5571 5.090637 -12.37782      7.159383 
1 1 1 -11 8  20 o 59.62557 3.599575 174.8533       20.91041 179.0847       28.14896 169.6434       31.23477 60.23082 4.814662 58.52931 5.517122 1.701508       7.322541 
1 1 1 -11 8  21 o 165.8268 4.315661 1349.372       69.99048 1310.356       84.29118 1436.000       125.5988 163.3025 5.280248 170.6175 7.539270 -7.314987      9.204434 
1 1 1 -11 8  22 o 119.1580 3.786744 696.7086       44.11068 700.5080       53.89595 689.0000       76.76896 119.4074 4.619967 118.1745 6.663753 1.232895       8.108619 
1 1 1 -11 8  23 o 51.26883 4.243860 129.7904       21.10649 132.6846       27.62657 125.7326       32.71181 51.68145 5.547924 50.09181 6.850954 1.589645       8.815613 
1 1 1 -11 8  24 o 116.1457 3.307709 661.6379       37.56593 658.8448       52.33182 664.6072       53.95797 115.7806 4.626999 116.2733 4.750999 -0.4927444     6.631826 
1 1 1 -11 8  25 o 163.2252 4.286214 1308.013       68.42130 1214.000       110.4788 1366.508       87.14514 156.7894 7.218104 166.6938 5.347857 -9.904480      8.983352 
1 1 1 -11 8  26 o 233.4867 5.481054 2679.789       125.2658 2558.000       207.9781 2749.122       156.9220 226.9795 9.381276 236.1152 6.796821 -9.135773      11.58469 
1 1 1 -11 8  27 o 134.7976 3.459034 891.5320       45.60205 836.4310       63.11743 951.7048       65.95841 130.3874 4.954482 139.1087 4.851486 -8.721329      6.934249 
1 1 1 -11 8  28 o 260.9032 5.227603 3347.525       133.5022 3274.968       186.3580 3424.015       191.3418 257.3359 7.406165 263.1199 7.436795 -5.783997      10.49558 
1 1 1 -11 8  29 o 231.2451 4.751285 2628.786       107.5449 2441.007       145.4948 2854.952       159.6754 222.2487 6.695722 240.3370 6.794339 -18.08826      9.539168 
1 1 1 -11 8  30 o 94.65988 3.639966 440.4987       33.66352 460.0000       53.90115 428.0280       43.10356 96.42299 5.736923 93.16280 4.742371 3.260185       7.443276 
1 1 1 -11 8  31 o 197.4476 4.223379 1917.009       81.62406 1852.066       112.9705 1987.943       118.0657 193.5318 5.970714 200.4938 6.022953 -6.961975      8.480884 
1 1 1 -11 8  32 o 51.40010 4.136947 130.8071       20.63808 116.2810       27.80794 148.6193       30.79312 48.11179 6.037478 54.51546 5.862724 -6.403679      8.415621 
1 1 1 -11 8  33 o 40.12792 5.260159 80.90654       20.16404 84.23682       27.30877 76.91441       29.89952 40.55127 7.140765 38.48685 8.188631 2.064419       10.86481 
1 1 1 -11 8  34 o 22.77617 7.380519 25.26135       18.79376 9.115443       25.60146 44.13054       27.67644 20.30307 8.244052 29.38789 8.876292 -9.084824      12.11416 
1 1 1 -11 8  35 o 176.8264 4.563962 1546.413       78.92822 1545.000       133.5558 1547.171       97.84216 174.9944 7.816816 176.3688 5.674971 -1.374435      9.659602 
1 1 1 -11 8  36 o 84.08305 3.506353 348.9174       28.79494 342.6703       39.24042 356.2059       42.38559 83.01064 4.850539 84.55662 5.145472 -1.545982      7.071323 
1 1 1 -11 8  37 o 38.25424 5.737051 74.58517       20.82034 115.1043       28.60197 28.91401       30.36595 47.53295 6.302620 25.64014 9.336308 21.89281       11.26453 
1 1 1 -11 8  38 o 13.65156 6.268286 -13.08602      19.09217 -16.09326      25.63725 -9.341725      28.60703 15.93854 7.297986 17.95854 8.011362 -2.019998      10.83709 
1 1 1 -11 8  39 o 11.58983 5.602409 -30.09265      19.31976 -43.04369      25.97476 -14.05599      28.90388 13.15443 6.390989 17.37258 7.874478 -4.218146      10.14160 
1 1 1 -11 8  40 o 45.94437 8.581426 112.3088       37.17325 86.19000       55.61562 133.4000       49.97709 39.37711 12.69097 49.22496 10.68003 -9.847858      16.58685 
1 1 1 -11 8  41 o 57.98006 5.608543 170.4437       31.43291 170.5000       59.68942 170.4221       36.97519 55.20559 11.42298 57.56454 6.686464 -2.358952      13.23606 
1 1 1 -11 8  42 o 24.44621 8.025802 30.28247       22.18759 9.276691       30.97676 52.41295       31.79522 21.48557 8.931659 31.17505 9.533965 -9.689484      13.06411 
1 1 1 -11 8  43 o 16.33192 7.503373 -16.68956      27.41187 28.41000       36.18214 -77.45000      41.99702 26.02736 10.03811 15.88265 7.802855 10.14471       12.71409 
1 1 1 -11 8  44 o 93.17731 4.152791 434.5971       37.78016 444.9343       46.29995 414.0000       65.35567 93.77714 5.062799 88.65964 7.604348 5.117500       9.135537 
1 1 1 -11 8  45 o 43.59464 6.551921 100.2720       27.09412 100.1069       33.21898 100.6000       46.82822 42.70877 8.244866 41.07861 11.29590 1.630165       13.98482 
1 1 1 -11 8  46 o 36.54239 6.877081 71.71619       23.69597 52.87603       33.74084 90.05194       33.28610 30.59828 9.886988 40.09209 8.729991 -9.493811      13.18959 
1 1 1 -11 8  47 o 43.71526 5.996942 100.2659       24.98512 103.8895       36.02707 96.90831       34.68000 42.92405 8.868299 41.44936 8.819018 1.474682       12.50687 
1 1 1 -11 8  48 o 44.17420 5.896473 102.3804       24.85954 104.4491       35.88320 100.4712       34.47262 42.95796 8.829094 42.23528 8.630404 0.7226830      12.34653 
1 1 1 -11 8  49 o 26.29847 8.844845 38.00920       26.90950 31.12064       33.62480 50.28000       44.87783 25.34480 9.701942 30.03303 11.27409 -4.688231      14.87389 
1 1 1 -11 8  50 o 41.40112 7.442626 94.46033       29.05224 81.81000       50.40174 100.7548       35.55277 35.73559 12.10482 41.79139 8.960255 -6.055801      15.06030 
1 1 1 -11 8  51 o 47.40167 5.576681 117.9401       25.38025 147.5459       35.98238 88.62636       35.80447 51.93358 7.277905 38.59043 9.534862 13.34315       11.99506 
1 1 1 -11 8  52 o 27.58436 8.132254 43.68007       23.44944 22.92074       33.62493 63.33547       32.71868 23.38294 9.464981 32.36057 9.622792 -8.977627      13.49755 
1 1 1 -11 8  53 o 46.06363 6.973131 116.5132       30.45824 106.9396       36.36847 139.0000       55.73817 42.60855 9.002539 45.44390 12.25306 -2.835346      15.20471 
1 1 1 -11 8  54 o 45.76763 5.696609 111.1585       24.96919 84.82653       36.55214 134.1966       34.18966 37.09835 9.887227 49.17883 7.325716 -12.08049      12.30542 
1 1 1 -11 8  55 o 45.98960 6.429647 114.7127       28.15372 111.7000       50.50987 116.0706       33.90991 40.64232 11.92283 45.15215 7.963542 -4.509827      14.33777 
1 1 1 -11 8  56 o 30.67524 7.781069 54.25735       23.39521 91.53943       34.45869 22.37653       31.86497 39.04063 9.173714 22.80963 9.220780 16.23100       13.00691 
1 1 1 -11 8  57 o 60.73039 4.565012 190.3643       26.93789 206.1557       39.45277 176.5728       36.87009 61.48571 6.661661 56.77767 6.767271 4.708038       9.495982 
1 1 1 -11 8  58 o 22.00774 8.493230 23.47399       25.91406 32.83000       47.07551 19.40623       31.04040 26.22949 10.96537 22.00033 9.022713 4.229160       14.20030 
1 1 1 -11 8  59 o 22.26316 8.547167 25.08525       26.14814 -1.247000      46.36886 37.36341       31.66278 21.76442 9.907721 25.48960 9.489676 -3.725182      13.71922 
1 1 1 -11 8  60 o 25.43513 8.784052 38.70354       26.56937 48.66014       34.71825 24.63000       41.27659 27.73842 9.999365 23.87309 10.13897 3.865322       14.24030 
1 1 1 -11 9  1  o 496.3566 13.21577 12148.36       641.5137 11780.00       888.2430 12550.00       927.5048 486.9603 18.66970 502.5580 18.88849 -15.59769      26.55810 
1 1 1 -11 9  2  o 240.0962 6.851182 2828.786       160.8469 2988.000       236.6125 2692.000       219.3148 246.4262 9.829168 233.9118 9.599163 12.51443       13.73887 
1 1 1 -11 9  3  o 294.7790 5.728887 4258.334       165.3000 4308.236       236.2614 4210.483       231.3549 296.1902 8.156984 292.8176 8.079616 3.372650       11.48114 
1 1 1 -11 9  4  o 112.5999 3.566200 621.4609       39.25563 596.6219       48.74458 667.3000       66.21819 110.2718 4.525635 116.5417 5.823282 -6.269875      7.375092 
1 1 1 -11 9  5  o 241.9116 4.843456 2866.959       114.6881 2957.631       165.9425 2784.042       158.6875 245.4841 6.912908 238.1750 6.813760 7.309052       9.706473 
1 1 1 -11 9  6  o 35.67099 4.738635 63.42883       16.13642 58.40962       22.78688 68.47762       22.85394 33.87848 7.099108 36.81789 6.583227 -2.939415      9.681746 
1 1 1 -11 9  7  o 150.5338 3.500050 1109.659       51.57206 1138.245       74.38892 1083.205       71.56107 152.3343 4.995651 148.6061 4.926455 3.728149       7.016159 
1 1 1 -11 9  8  o 215.2330 4.428832 2269.372       93.30487 2333.717       134.6079 2209.865       129.4493 218.0656 6.312983 212.2022 6.239004 5.863358       8.875749 
1 1 1 -11 9  9  o 206.5604 4.293157 2090.157       86.80205 2014.960       120.3925 2171.565       125.2657 202.6245 6.077044 210.3568 6.090134 -7.732346      8.603499 
1 1 1 -11 9  10 o 212.2580 4.388071 2207.273       91.16831 2111.949       125.6000 2313.427       132.5429 207.4253 6.193102 217.0973 6.243775 -9.671951      8.794272 
1 1 1 -11 9  11 o 141.9143 3.992424 987.3504       55.40353 992.8251       67.55199 976.1000       96.83689 142.2493 4.858697 140.8475 7.046393 1.401764       8.559123 
1 1 1 -11 9  12 o 345.9587 6.631454 5873.703       224.5635 5834.885       316.2149 5913.199       318.9645 344.2151 9.394042 346.5147 9.412759 -2.299652      13.29842 
1 1 1 -11 9  13 o 124.0971 3.778587 755.1203       45.84491 755.2221       55.43005 754.9000       81.56166 124.0514 4.572790 123.8241 6.754958 0.2273178      8.157198 
1 1 1 -11 9  14 o 359.8108 7.967092 6365.169       280.5952 6176.000       477.3698 6465.030       346.8376 352.5376 13.86087 362.0706 9.795482 -9.533020      16.97277 
1 1 1 -11 9  15 f 88.19090 3.120539 381.4099       26.89519 335.6703       36.15916 438.0508       40.23805 82.63141 4.487452 94.43742 4.364784 -11.80601      6.260077 
1 1 1 -11 9  16 o 286.9688 5.618714 4040.726       157.8258 3890.999       217.6505 4206.759       229.1954 281.1377 7.917119 292.3094 8.018021 -11.17172      11.26807 
1 1 1 -11 9  17 o 221.6218 4.547733 2408.091       98.65376 2268.702       134.5709 2570.042       145.0531 214.8299 6.406718 228.6519 6.487616 -13.82198      9.117850 
1 1 1 -11 9  18 o 110.8182 3.164093 602.0801       34.28637 548.8694       46.20633 667.2745       51.14547 105.7077 4.475821 116.5703 4.490824 -10.86267      6.340384 
1 1 1 -11 9  19 o 121.1496 3.234188 719.5759       38.31816 672.2495       52.17110 775.0097       56.46313 116.9911 4.564627 125.6242 4.599591 -8.633141      6.480128 
1 1 1 -11 9  20 o 111.7100 3.619732 612.2238       39.52763 577.6967       47.10524 694.4000       72.67120 108.4425 4.447194 118.7062 6.276665 -10.26374      7.692467 
1 1 1 -11 9  21 o 274.7382 6.263136 3710.109       168.4291 3692.490       205.6566 3746.000       293.5229 273.6822 7.684581 274.6460 10.94038 -0.9638672     13.36954 
1 1 1 -11 9  22 o 201.9514 4.269099 2000.249       84.38967 1939.651       116.8459 2066.324       122.0117 198.5728 6.018512 204.9479 6.088826 -6.375137      8.561325 
1 1 1 -11 9  23 o 175.6015 3.891586 1511.919       66.88996 1452.771       92.20771 1577.620       97.18153 171.8903 5.487397 179.1219 5.549489 -7.231613      7.804380 
1 1 1 -11 9  24 o 220.2222 6.477220 2388.490       139.4710 0.000000       0.000000 2388.490       139.4710 ?        ?        220.2222 6.477220 ?              ?        
1 1 1 -11 9  25 o 136.1652 3.900909 910.1106       51.93860 935.3000       86.04159 895.6699       65.14696 137.6973 6.401280 134.9590 4.939916 2.738312       8.085738 
1 1 1 -11 9  26 o 95.85724 3.277060 450.9564       30.70269 412.9776       41.64380 496.1852       45.44513 91.59227 4.660313 100.4206 4.635875 -8.828331      6.573420 
1 1 1 -11 9  27 o 141.8407 3.492829 986.6678       48.49361 913.5737       66.43904 1070.008       70.94294 136.2500 4.990163 147.4796 4.921300 -11.22951      7.008632 
1 1 1 -11 9  28 o 103.1194 3.247415 521.9655       32.73729 502.1125       45.56466 543.1492       47.06691 100.9827 4.621978 105.0409 4.588813 -4.058136      6.513055 
1 1 1 -11 9  29 o 123.6896 3.394017 751.1503       41.05281 687.9243       56.61313 821.2668       59.61824 118.1569 4.905660 129.1496 4.724027 -10.99262      6.810429 
1 1 1 -11 9  30 o 91.38294 3.616662 410.6524       32.28648 399.9000       50.35439 418.1590       42.07331 89.84843 5.755868 92.06883 4.684004 -2.220406      7.420910 
1 1 1 -11 9  31 o 154.2130 3.638496 1168.258       54.92234 1164.422       77.22709 1172.184       78.12451 153.5900 5.144150 154.0907 5.187095 -0.5006714     7.305356 
1 1 1 -11 9  32 f 110.8915 3.281567 604.5045       35.58013 607.8815       49.70598 600.9559       50.95300 110.9678 4.586087 110.3026 4.730298 0.6652679      6.588468 
1 1 1 -11 9  33 o 42.20694 4.881502 89.12541       19.79581 81.53790       26.33833 98.97638       30.01082 39.88871 7.001017 43.99040 7.219947 -4.101692      10.05693 
1 1 1 -11 9  34 o 109.2036 3.298402 586.9924       35.21669 583.4778       49.01003 590.7443       50.63768 108.5784 4.621999 109.2202 4.747920 -0.6417618     6.626131 
1 1 1 -11 9  35 o 52.67352 4.191837 137.8243       21.43425 156.1945       29.01253 115.7480       31.80474 55.84390 5.373942 47.57068 7.042903 8.273224       8.858993 
1 1 1 -11 9  36 o 66.19970 4.147750 217.4412       26.74157 204.8000       39.49861 228.1388       36.33565 63.63033 6.429911 67.45910 5.551927 -3.828766      8.495154 
1 1 1 -11 9  37 o 40.40869 6.196872 83.61024       23.72980 84.31502       28.12746 81.87000       44.19862 40.22791 7.416445 38.82145 11.08376 1.406460       13.33617 
1 1 1 -11 9  38 o 27.72840 7.289858 40.43789       20.04339 54.24587       27.32300 24.35019       29.49241 31.91881 8.566998 24.35039 9.139760 7.568415       12.52712 
1 1 1 -11 9  39 o 69.39992 4.455895 240.2426       30.10921 201.5317       35.20879 345.6000       58.08537 63.12986 5.761261 82.08548 7.305512 -18.95562      9.303905 
1 1 1 -11 9  40 o 13.07426 6.141134 -19.83221      20.00301 -7.662083      26.48977 -35.97850      30.51174 17.38215 7.734541 15.44268 7.350952 1.939475       10.67050 
1 1 1 -11 9  41 o 42.76435 8.291445 97.72090       33.45409 0.000000       0.000000 97.72090       33.45409 ?        ?        42.76435 8.291445 ?              ?        
1 1 1 -11 9  42 o 25.77053 9.467961 30.50947       31.33398 0.000000       0.000000 30.50947       31.33398 ?        ?        25.77053 9.467961 ?              ?        
1 1 1 -11 9  43 o 54.90168 5.698480 154.3046       30.17833 157.5000       58.58201 153.1503       35.20973 52.05346 11.77415 54.21033 6.783605 -2.156868      13.58853 
1 1 1 -11 9  44 o 43.74094 5.540373 98.60583       23.18969 91.18676       31.63068 107.2277       34.09853 40.88334 8.189862 44.44543 8.137738 -3.562092      11.54542 
1 1 1 -11 9  45 o 40.90791 6.730827 88.95851       26.01491 96.75376       31.82843 73.27000       45.15347 42.04501 8.026516 35.22626 11.44192 6.818745       13.97650 
1 1 1 -11 9  46 o 55.79986 5.503377 160.6525       29.66771 148.5880       36.20774 185.3000       51.75277 52.70480 7.207102 57.22982 9.576663 -4.525024      11.98561 
1 1 1 -11 9  47 o 13.17141 6.280326 -25.96146      22.46377 -26.68969      31.70908 -25.22774      31.82840 16.38001 7.705814 16.56777 7.770794 -0.1877556     10.94371 
1 1 1 -11 9  48 o 59.82446 5.299059 184.5688       30.70955 192.2519       38.13742 170.4000       51.79049 60.26464 6.571555 54.02524 10.16671 6.239403       12.10567 
1 1 1 -11 9  49 o 57.53094 5.526112 172.1100       30.73686 166.9000       54.77552 174.5044       37.13439 52.40411 11.02829 57.11725 6.773790 -4.713135      12.94246 
1 1 1 -11 9  50 o 32.55189 7.788326 59.71081       24.48283 68.33331       34.54086 51.00484       34.70763 33.78747 9.845013 29.58083 10.04470 4.206642       14.06486 
1 1 1 -11 9  51 f 82.81340 3.920508 346.7000       31.68942 324.9926       43.97026 370.1609       45.71167 78.75330 5.743546 84.22672 5.575999 -5.473419      8.005004 
1 1 1 -11 9  52 o 14.42454 6.888544 -29.27102      27.24644 -12.37290      32.83937 -66.60000      48.80886 17.97784 8.242185 17.62653 8.607364 0.3513088      11.91723 
1 1 1 -11 9  53 o 25.08842 8.213799 35.49674       23.24611 40.58244       34.90654 31.44383       31.16126 26.88667 9.972638 24.64696 9.362662 2.239714       13.67892 
1 1 1 -11 9  54 o 26.92983 8.737201 42.20517       26.33343 48.88000       47.41309 39.22768       31.66673 28.99948 11.40302 26.31602 9.541200 2.683462       14.86820 
1 1 1 -11 9  55 o 20.98740 7.996065 20.81277       22.77011 15.03733       33.58298 25.72702       30.97813 21.83713 9.203536 23.33397 9.204322 -1.496836      13.01632 
1 1 1 -11 9  56 o 26.83820 8.054572 41.69077       22.84239 38.86423       33.34143 44.19099       31.35777 26.26364 9.745576 27.38737 9.538238 -1.123734      13.63650 
1 1 1 -11 9  57 o 44.84650 5.810398 107.6974       24.90694 101.0435       36.23260 113.6585       34.29471 40.84518 9.274993 44.31902 8.207723 -3.473839      12.38516 
1 1 1 -11 9  58 o 37.56743 6.751027 78.50246       23.91245 103.7171       35.50447 57.56944       32.34985 41.50499 8.999146 30.37833 9.667702 11.12666       13.20792 
1 1 1 -11 9  59 o 31.59631 7.759610 58.55766       23.82055 30.49490       34.95197 82.89703       32.55075 24.31133 9.716108 36.67398 9.108892 -12.36264      13.31821 
1 1 1 -11 9  60 o 22.40352 8.541821 26.51712       25.99646 7.776000       47.01805 34.76892       31.19905 22.56658 10.15296 24.67055 9.369107 -2.103968      13.81531 
1 1 1 -11 10 1  o 410.4944 7.762452 8269.181       311.8978 8666.278       456.3167 7920.992       427.2927 419.4954 11.12286 401.0902 10.89380 18.40521       15.56897 
1 1 1 -11 10 2  o 221.2117 4.507897 2397.126       97.60866 2412.534       139.5329 2382.360       136.5930 221.7232 6.436047 220.3400 6.339875 1.383240       9.034197 
1 1 1 -11 10 3  o 230.9503 5.409657 2613.933       122.2910 2402.000       203.0561 2734.552       153.1882 220.8928 9.412933 236.0464 6.636710 -15.15366      11.51734 
1 1 1 -11 10 4  o 255.1884 5.065289 3190.934       126.5236 3133.216       177.5800 3250.442       180.3140 252.6154 7.189027 257.3039 7.166381 -4.688553      10.15082 
1 1 1 -11 10 5  o 136.2635 4.783437 910.8459       63.70182 933.4000       97.09323 893.8000       84.40866 137.7402 7.226766 134.8550 6.412982 2.885239       9.661909 
1 1 1 -11 10 6  o 206.7151 4.955540 2093.870       100.2696 2021.964       121.1790 2250.000       178.5625 202.9795 6.106087 213.8578 8.547412 -10.87834      10.50441 
1 1 1 -11 10 7  o 197.4449 4.153338 1909.656       80.26930 1895.467       113.6858 1923.762       113.3508 196.5314 5.916474 197.9997 5.855056 -1.468277      8.323842 
1 1 1 -11 10 8  o 455.4236 8.581319 10191.33       382.5391 10564.31       555.7795 9855.554       527.3252 462.5633 12.28598 446.8355 12.06764 15.72781       17.22131 
1 1 1 -11 10 9  o 233.8739 4.719882 2680.341       108.0486 2658.187       152.3715 2702.749       153.2397 232.6604 6.697722 234.6062 6.679872 -1.945755      9.459396 
1 1 1 -11 10 10 f 30.52644 5.383108 47.03635       15.49716 37.83454       20.50076 59.30562       23.67241 27.32447 7.458031 34.10815 7.310278 -6.783676      10.44329 
1 1 1 -11 10 11 o 168.5972 4.313764 1393.738       71.13052 1371.063       86.83021 1440.000       124.0243 167.1387 5.314223 171.0678 7.424508 -3.929062      9.130404 
1 1 1 -11 10 12 o 422.2889 9.248621 8779.109       382.2899 8633.236       462.6695 9093.000       678.6924 418.0075 11.31828 426.8637 16.27323 -8.856171      19.82224 
1 1 1 -11 10 13 o 117.4019 3.835000 676.0188       44.01125 573.0000       75.49080 729.0633       54.16963 107.7600 7.198262 121.8745 4.548829 -14.11447      8.515093 
1 1 1 -11 10 14 o 188.8313 4.050848 1747.356       74.87317 1648.483       102.7675 1859.214       109.3082 183.2039 5.737871 194.5715 5.745705 -11.36752      8.120115 
1 1 1 -11 10 15 o 191.6472 4.091898 1800.020       76.75974 1691.047       105.0739 1924.731       112.4060 185.5382 5.792789 197.9529 5.807525 -12.41473      8.202667 
1 1 1 -11 10 16 o 55.74367 3.508505 152.8409       19.04651 139.3805       24.67997 172.6639       29.95021 53.09774 4.800364 59.09750 5.231536 -5.999763      7.100174 
1 1 1 -11 10 17 o 284.7202 5.585673 3978.954       155.6682 3804.309       213.7782 4176.085       227.1237 277.8978 7.867002 291.1440 7.977337 -13.24612      11.20391 
1 1 1 -11 10 18 o 371.6165 7.101422 6792.378       258.3132 6668.800       360.7465 6922.414       370.0513 367.1783 10.04679 374.0728 10.11576 -6.894470      14.25716 
1 1 1 -11 10 19 o 88.75105 3.638247 386.6786       31.53916 366.2446       37.93790 432.4000       56.74864 86.29773 4.506874 93.60062 6.229442 -7.302895      7.688814 
1 1 1 -11 10 20 o 60.67336 3.893730 181.2041       23.00232 164.0813       26.80779 229.0000       44.78883 57.63148 4.795619 67.89280 6.832502 -10.26132      8.347517 
1 1 1 -11 10 21 f 179.9918 3.943583 1588.393       69.47840 1563.318       96.82396 1615.009       99.75623 178.3234 5.553900 181.2392 5.630003 -2.915802      7.908397 
1 1 1 -11 10 22 o 180.4946 3.952044 1597.423       69.82198 1497.771       94.85693 1715.262       103.1499 174.5264 5.559761 186.7666 5.648888 -12.24016      7.925962 
1 1 1 -11 10 23 o 48.37172 4.574419 115.8373       21.40147 99.65000       29.44136 133.9750       31.16460 44.45702 6.996639 51.81886 6.271698 -7.361847      9.396124 
1 1 1 -11 10 24 o 130.2830 4.853279 834.5523       61.78304 0.000000       0.000000 834.5523       61.78304 ?        ?        130.2830 4.853279 ?              ?        
1 1 1 -11 10 25 o 287.6284 6.576075 4075.012       185.1419 3965.000       317.8553 4131.502       227.7688 281.6216 11.55528 289.0428 8.058420 -7.421112      14.08768 
1 1 1 -11 10 26 o 275.1536 5.453042 3723.110       146.8656 3552.065       201.6603 3916.296       214.3157 268.0181 7.694844 281.3996 7.788290 -13.38150      10.94843 
1 1 1 -11 10 27 o 97.26726 3.227717 464.4059       30.68785 455.6206       42.91580 473.5984       43.89925 96.19790 4.570770 98.07973 4.585381 -1.881828      6.474385 
1 1 1 -11 10 28 o 119.9703 3.276798 706.4544       38.44350 677.5982       53.19518 738.0019       55.62052 117.3202 4.641421 122.4444 4.649215 -5.124115      6.569474 
1 1 1 -11 10 29 o 187.4438 4.069380 1726.121       74.66303 1692.755       104.4364 1761.002       106.7816 185.1810 5.768717 188.8767 5.782608 -3.695709      8.168026 
1 1 1 -11 10 30 o 67.35551 3.406372 223.2877       22.38511 220.5149       30.11596 226.7110       33.46248 66.77494 4.636419 67.63971 5.091551 -0.8647690     6.886238 
1 1 1 -11 10 31 o 143.6798 3.532898 1014.233       49.68590 991.9918       69.15513 1037.964       71.43317 141.7391 4.992374 144.9776 5.041435 -3.238480      7.095059 
1 1 1 -11 10 32 o 64.51796 3.633121 205.3279       22.85117 194.4717       30.43396 219.3579       34.59787 62.55915 5.011952 66.39468 5.369428 -3.835529      7.345095 
1 1 1 -11 10 33 o 74.24850 3.468970 271.7349       25.14156 286.7274       34.47217 254.6975       36.74793 76.06231 4.652382 71.53817 5.285262 4.524139       7.041212 
1 1 1 -11 10 34 f 24.19695 7.247930 29.73722       18.50962 48.48438       24.08281 2.679297       28.93255 30.46397 7.981934 20.10278 8.511029 10.36119       11.66829 
1 1 1 -11 10 35 o 39.28820 5.290938 77.99336       19.83030 73.64353       25.74743 84.33596       31.09073 37.67245 7.245450 40.12129 8.194125 -2.448841      10.93802 
1 1 1 -11 10 36 o 79.84428 3.516014 314.9779       27.41160 307.1662       37.22214 324.2346       40.51908 78.50710 4.867744 80.57697 5.164580 -2.069862      7.097029 
1 1 1 -11 10 37 o 48.59547 4.996107 118.6804       23.42661 116.0000       33.71024 121.1839       32.57916 47.27360 7.538097 48.49846 7.070831 -1.224861      10.33535 
1 1 1 -11 10 38 o 74.37034 4.228012 275.1025       30.65133 254.8324       36.40093 324.5000       56.82459 71.25576 5.255980 79.54623 7.382348 -8.290466      9.062251 
1 1 1 -11 10 39 o 17.84481 7.293503 6.937708       20.19612 -20.22169      26.27108 46.18107       31.57919 15.59732 7.229531 29.75802 9.560482 -14.16070      11.98620 
1 1 1 -11 10 40 o 88.74997 3.946903 391.3507       34.20134 354.6000       52.08518 419.2086       45.34772 83.44151 6.426619 91.41382 5.088084 -7.972313      8.196953 
1 1 1 -11 10 41 o 45.56988 5.657331 106.0959       24.69289 78.96000       35.83751 130.6231       34.07142 37.85987 9.644956 50.05297 7.157878 -12.19311      12.01085 
1 1 1 -11 10 42 o 19.89518 7.651735 14.95810       20.98232 12.69445       28.38598 17.68469       31.15374 21.34864 8.676305 22.99184 9.178278 -1.643192      12.63008 
1 1 1 -11 10 43 o 68.25833 4.873107 235.4805       32.34459 282.9000       61.26142 217.1529       38.08566 72.39777 8.827090 64.97761 6.057938 7.420158       10.70589 
1 1 1 -11 10 44 o 44.54913 6.806983 105.0052       28.74196 110.3000       54.48204 102.9633       33.83300 42.50119 12.35889 43.37186 8.271185 -0.8706627     14.87127 
1 1 1 -11 10 45 o 59.72741 4.451324 180.4707       25.83658 183.7707       36.03175 176.9785       37.06713 59.33064 6.300622 58.01281 6.647609 1.317837       9.159069 
1 1 1 -11 10 46 o 24.94735 8.796569 32.14205       26.72391 22.97098       32.88380 49.98000       45.86109 23.84147 9.458324 30.41142 11.40094 -6.569950      14.81355 
1 1 1 -11 10 47 o 54.95561 5.753621 157.2318       30.49172 131.2815       37.23051 210.1000       53.14036 48.79786 8.076865 61.03537 9.178730 -12.23751      12.22640 
1 1 1 -11 10 48 o 41.84336 8.955765 100.0405       35.57293 142.8000       53.99615 67.25000       47.28470 48.00768 11.61747 33.35677 11.70598 14.65091       16.49229 
1 1 1 -11 10 49 o 60.20938 4.533574 184.9491       26.52218 162.0943       37.45287 207.9390       37.56343 54.72706 7.163396 62.79388 6.191897 -8.066818      9.468571 
1 1 1 -11 10 50 o 16.97861 7.341153 1.709247       22.36642 -13.08488      31.36719 17.01155       31.90137 17.60753 8.066031 22.20753 9.131594 -4.599995      12.18388 
1 1 1 -11 10 51 o 24.17792 8.916712 30.48984       27.83535 21.62509       33.33659 50.90000       50.58376 23.12843 9.401438 29.82539 11.76269 -6.696960      15.05815 
1 1 1 -11 10 52 o 38.83055 6.708199 82.62008       24.57510 67.34516       36.13190 95.76908       33.52338 32.94038 10.17975 40.47667 8.719023 -7.536285      13.40331 
1 1 1 -11 10 53 o 25.21323 8.783993 35.47846       26.59575 -18.33000      47.32586 60.31565       32.15321 20.77512 9.654815 31.53071 9.576542 -10.75559      13.59873 
1 1 1 -11 10 54 o 41.39830 6.266083 92.74716       24.59803 74.40844       36.32701 108.2751       33.42735 34.49990 10.10865 43.44365 8.160415 -8.943745      12.99142 
1 1 1 -11 10 55 o 29.61811 7.878462 50.77214       23.23646 20.72083       34.13177 76.73141       31.72293 22.87541 9.429861 35.73641 9.058446 -12.86100      13.07584 
1 1 1 -11 10 56 o 31.97651 7.529480 58.48442       23.17445 61.51832       34.02886 55.86024       31.64778 31.45164 9.903749 30.21610 9.555738 1.235538       13.76214 
1 1 1 -11 10 57 o 27.30436 8.132143 43.61537       23.35247 25.62838       34.38136 59.02039       31.81814 23.64781 9.571337 30.90861 9.552925 -7.260796      13.52290 
1 1 1 -11 10 58 o 18.80952 7.722389 12.06300       22.76939 -7.937628      34.00475 28.31883       30.65648 18.51312 8.449549 23.55617 9.196767 -5.043045      12.48901 
1 1 1 -11 10 59 o 30.01192 7.932400 53.48748       23.65115 56.55985       35.44396 51.02140       31.75484 29.59727 10.14847 28.49428 9.608304 1.102983       13.97537 
1 1 1 -11 10 60 o 23.92433 9.022226 32.51112       28.81296 38.39663       34.96129 20.05000       50.87144 25.50295 9.858904 24.27338 10.76432 1.229576       14.59687 
1 1 1 -11 11 1  o 605.8375 11.32027 18080.51       671.3039 19223.02       992.1517 17115.82       911.6794 622.3214 16.30164 587.4145 15.87045 34.90692       22.75115 
1 1 1 -11 11 2  o 49.30638 4.176955 119.9405       19.96950 128.5171       28.10841 111.2000       28.37578 50.87952 5.744317 47.20427 6.298327 3.675251       8.524442 
1 1 1 -11 11 3  o 202.7297 4.225456 2013.322       83.84888 1977.757       118.3778 2049.131       118.7837 200.7448 6.031325 204.3461 5.944922 -3.601318      8.468706 
1 1 1 -11 11 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 11 5  o 154.0699 5.039412 1164.585       75.89603 1254.000       116.6763 1099.000       99.92629 159.6541 7.486999 149.5061 6.846507 10.14798       10.14543 
1 1 1 -11 11 6  o 54.66920 5.124825 147.7676       27.10410 139.5000       53.65632 150.6000       31.40554 52.26380 10.84419 55.10355 5.915134 -2.839748      12.35254 
1 1 1 -11 11 7  o 255.9453 5.890016 3212.542       147.5604 2867.000       240.3676 3421.524       186.9301 241.0896 10.20882 263.9041 7.243324 -22.81450      12.51742 
1 1 1 -11 11 8  o 230.9584 4.669541 2614.100       105.5636 2622.359       150.0899 2606.016       148.5017 231.0709 6.642796 230.3552 6.592865 0.7157135      9.359092 
1 1 1 -11 11 9  o 113.9651 3.129770 636.5321       34.88020 610.5327       49.05214 663.1248       49.60867 111.5273 4.502611 116.2487 4.367535 -4.721405      6.272867 
1 1 1 -11 11 10 o 213.7901 5.119784 2240.912       107.1385 2193.062       129.4432 2345.000       190.9129 211.3097 6.265182 218.1179 8.961145 -6.808212      10.93410 
1 1 1 -11 11 11 o 284.4610 7.958552 3981.388       221.3788 3768.000       302.6342 4227.000       324.6809 275.9980 11.22569 292.3118 11.36928 -16.31375      15.97738 
1 1 1 -11 11 12 o 80.52613 3.096858 318.0587       24.36431 320.0040       33.86607 315.9716       35.07858 80.69002 4.303406 80.16355 4.488453 0.5264664      6.218160 
1 1 1 -11 11 13 o 236.3949 4.778203 2739.951       110.5628 2523.013       148.4055 3010.549       165.7466 226.5469 6.699819 247.4626 6.849312 -20.91570      9.581265 
1 1 1 -11 11 14 o 163.3601 3.688627 1307.561       58.98165 1245.797       81.15941 1376.694       85.86462 159.2803 5.212616 167.4443 5.245339 -8.163986      7.394928 
1 1 1 -11 11 15 o 137.1913 3.393353 922.0793       45.56819 861.4119       62.49549 990.9464       66.58504 132.4453 4.828736 142.0703 4.795015 -9.624985      6.805062 
1 1 1 -11 11 16 o 201.5926 4.236872 1992.317       83.60384 1893.399       114.8380 2103.867       121.9496 196.2696 5.984583 206.8939 6.028231 -10.62434      8.494398 
1 1 1 -11 11 17 o 150.8946 3.538322 1115.742       52.26095 1027.858       70.88708 1220.385       77.35161 144.6533 5.014063 157.6338 5.019585 -12.98051      7.094862 
1 1 1 -11 11 18 o 144.0753 3.969823 1018.361       55.93103 988.1290       67.59515 1084.000       99.60081 141.8314 4.876219 148.2997 6.880210 -6.468231      8.432960 
1 1 1 -11 11 19 o 247.5464 5.743539 3009.952       139.1690 2879.951       165.8769 3319.000       255.7558 241.8271 7.015100 258.7737 10.11665 -16.94659      12.31090 
1 1 1 -11 11 20 o 69.19480 3.342989 235.1736       22.57500 229.3932       29.48769 243.3590       35.08987 68.24199 4.438597 70.22295 5.140624 -1.980965      6.791698 
1 1 1 -11 11 21 o 57.52973 3.614830 162.8710       20.25283 166.0257       26.12681 158.1213       32.05842 57.98475 4.642010 56.42017 5.891724 1.564579       7.500711 
1 1 1 -11 11 22 f 135.4977 3.863628 900.9732       51.19057 903.5000       83.46957 899.4499       64.80948 135.3839 6.316170 135.2719 4.902793 0.1119232      7.995710 
1 1 1 -11 11 23 o 223.9566 5.283416 2464.050       115.8204 2330.000       190.7015 2542.394       145.7881 216.8194 9.005257 227.1629 6.563478 -10.34343      11.14333 
1 1 1 -11 11 24 o 186.9462 4.046820 1714.580       74.05199 1581.786       99.91911 1876.399       110.2993 179.2588 5.701835 195.2407 5.777956 -15.98196      8.117616 
1 1 1 -11 11 25 o 260.5988 6.059858 3342.843       154.5756 3273.000       267.3841 3377.902       189.4394 256.1072 10.68965 261.4895 7.408799 -5.382324      13.00611 
1 1 1 -11 11 26 o 260.6710 5.211444 3341.428       132.9710 3210.895       183.4290 3485.995       193.0377 254.8232 7.361702 265.4964 7.435413 -10.67322      10.46327 
1 1 1 -11 11 27 o 146.1050 4.167826 1049.110       59.54383 997.5000       105.8439 1073.006       72.02114 141.7581 7.656437 147.6280 4.991258 -5.869949      9.139676 
1 1 1 -11 11 28 o 98.39940 3.182173 475.4205       30.60913 489.9818       42.91817 460.3464       43.66724 99.74915 4.406553 96.64814 4.629356 3.101013       6.391294 
1 1 1 -11 11 29 o 227.1017 5.461231 2543.324       121.3996 2179.000       194.8445 2774.498       155.2077 208.3802 9.578300 236.6543 6.707041 -28.27408      11.69308 
1 1 1 -11 11 30 o 182.3171 3.990561 1634.310       71.21435 1644.687       100.7783 1623.960       100.6464 182.3883 5.651818 181.2249 5.680820 1.163422       8.013412 
1 1 1 -11 11 31 o 126.2201 3.354668 783.2364       41.40942 764.1119       57.25891 804.2062       59.95780 124.3961 4.711029 127.5988 4.809176 -3.202766      6.732159 
1 1 1 -11 11 32 f 99.12607 3.270615 483.4385       31.69045 502.0102       44.37027 464.0994       45.27764 100.7780 4.509428 96.82781 4.792133 3.950211       6.580234 
1 1 1 -11 11 33 o 31.49276 6.042206 50.92298       17.94842 67.36544       22.87283 24.57309       28.95516 36.19100 6.703547 24.53943 9.086350 11.65156       11.29156 
1 1 1 -11 11 34 o 135.2191 3.477217 900.9083       45.98494 879.1862       63.48385 924.8875       66.70036 133.1449 4.879416 136.5213 4.999836 -3.376419      6.986205 
1 1 1 -11 11 35 o 67.38840 3.688004 224.6652       24.23394 239.0813       32.50791 206.6318       36.35838 69.26425 4.825004 64.08841 5.860672 5.175842       7.591320 
1 1 1 -11 11 36 o 17.09450 6.938729 6.587749       18.12851 3.439417       22.92327 11.84436       29.62030 18.12893 7.620102 21.84373 8.868309 -3.714798      11.69243 
1 1 1 -11 11 37 o 64.49719 4.360460 207.2111       27.36648 203.7073       32.41812 215.9000       51.05004 63.69951 5.245756 64.43295 8.285936 -0.7334366     9.806870 
1 1 1 -11 11 38 o 23.56868 7.810071 27.45326       20.99415 20.10000       28.81861 35.76862       30.64599 23.21316 8.957063 27.13287 9.430582 -3.919712      13.00634 
1 1 1 -11 11 39 o 64.25458 5.159040 207.6990       32.17488 186.2000       40.33770 245.3000       53.34594 60.13827 6.982213 68.57856 8.103404 -8.440289      10.69656 
1 1 1 -11 11 40 o 12.27824 5.914001 -30.59400      21.06713 -60.00000      29.32582 0.7652510      30.28412 13.05488 6.434380 19.88897 8.570568 -6.834088      10.71708 
1 1 1 -11 11 41 o 46.51386 5.128056 109.7753       22.96053 91.70409       30.77718 132.4557       34.47949 41.48438 7.867248 50.34886 7.201086 -8.864479      10.66533 
1 1 1 -11 11 42 o 41.20048 5.718103 87.49957       22.43930 75.44273       30.28626 102.1729       33.41133 37.15665 8.510637 43.56311 8.134617 -6.406460      11.77297 
1 1 1 -11 11 43 o 15.58665 6.885354 -4.096598      20.61848 4.783072       27.75056 -15.03935      30.80610 19.55751 8.310039 17.59312 8.034491 1.964390       11.55897 
1 1 1 -11 11 44 o 34.04346 7.008380 62.48872       22.57516 43.72717       30.72206 84.50956       33.28379 28.33189 9.449539 38.77147 8.951363 -10.43958      13.01617 
1 1 1 -11 11 45 o 54.35449 5.845856 153.4094       30.61377 198.5000       59.88071 137.4535       35.62083 58.19379 10.91326 50.56033 7.418112 7.633465       13.19575 
1 1 1 -11 11 46 o 19.34676 8.274246 4.781623       27.83023 68.52000       54.54141 -17.65532      32.35994 33.97218 12.48970 17.56115 8.098650 16.41103       14.88559 
1 1 1 -11 11 47 o 26.54601 8.946629 38.49778       27.53190 99.20000       52.20228 15.10637       32.40526 39.52872 12.23935 22.19742 9.173032 17.33130       15.29530 
1 1 1 -11 11 48 o 33.55167 8.144688 63.66473       26.47553 44.36757       32.39223 102.5000       45.95229 28.11391 9.699405 40.65461 11.19388 -12.54070      14.81153 
1 1 1 -11 11 49 o 15.66782 7.152347 -10.86073      24.38079 -16.77132      30.27585 0.4351000E-01  41.12243 16.85752 7.795211 21.69080 9.645196 -4.833284      12.40142 
1 1 1 -11 11 50 o 36.13976 9.324482 77.49203       33.20395 77.49203       33.20395 0.000000       0.000000 36.13976 9.324482 ?        ?        ?              ?        
1 1 1 -11 11 51 o 38.81055 6.496837 81.88914       23.80914 69.65009       34.54726 92.96095       32.85860 33.73590 9.850449 39.96716 8.650627 -6.231255      13.10972 
1 1 1 -11 11 52 o 53.24479 5.723435 150.0751       29.36130 155.1000       50.71844 147.5423       36.00877 49.80246 10.72175 51.59822 7.336113 -1.795757      12.99133 
1 1 1 -11 11 53 o 46.14330 5.617596 112.7700       24.85038 131.6872       36.52113 96.45992       33.91130 48.14779 8.032068 40.49422 8.806858 7.653564       11.91952 
1 1 1 -11 11 54 o 35.82162 7.000239 71.52760       23.66472 72.85841       35.17014 70.42661       31.98947 34.21480 9.924094 34.03496 9.327126 0.1798401      13.61921 
1 1 1 -11 11 55 o 22.13104 8.048739 25.46799       22.55834 16.17941       32.89951 33.70996       30.99063 21.86539 9.155709 24.96500 9.369332 -3.099604      13.10005 
1 1 1 -11 11 56 o 30.43630 7.787992 53.74480       23.29486 88.27647       34.37153 24.40845       31.68058 38.06372 9.304795 23.05780 9.238342 15.00593       13.11206 
1 1 1 -11 11 57 o 27.11538 8.065103 42.96665       22.98106 82.68930       34.20926 10.29689       31.02398 36.62724 9.471918 20.42502 8.735780 16.20222       12.88530 
1 1 1 -11 11 58 o 27.00585 8.116117 43.13270       23.18090 17.92167       34.66639 63.52276       31.17616 22.18088 9.349746 31.89347 9.369966 -9.712587      13.23684 
1 1 1 -11 11 59 o 30.61011 8.954297 58.36866       28.52420 60.59327       34.78232 53.80000       49.84552 30.45652 10.05119 28.76498 11.56628 1.691536       15.32335 
1 1 1 -11 12 1  o 344.9344 9.376474 5857.026       316.2855 5844.000       447.7474 5870.000       446.8444 343.5323 13.34092 344.3140 13.28345 -0.7816772     18.82631 
1 1 1 -11 12 2  o 134.4869 4.584495 887.3027       60.26181 822.4000       84.33896 955.0000       86.13558 129.2889 6.687118 139.3835 6.329944 -10.09459      9.207917 
1 1 1 -11 12 3  o 224.6744 6.464000 2478.647       142.0069 2219.000       188.5472 2819.000       215.8706 212.2194 9.097848 239.2189 9.236525 -26.99950      12.96473 
1 1 1 -11 12 4  o 399.7188 7.581777 7846.799       296.6414 8028.067       427.1720 7677.972       412.2543 403.4419 10.82701 394.5810 10.68372 8.860962       15.21072 
1 1 1 -11 12 5  o 178.7399 3.889509 1565.046       68.04911 1464.760       94.27958 1674.110       98.31945 172.7428 5.583189 184.7001 5.444280 -11.95728      7.798216 
1 1 1 -11 12 6  o 288.8436 5.652572 4091.582       159.8141 4154.231       229.9767 4033.075       222.2441 290.6236 8.092257 286.3782 7.936025 4.245422       11.33425 
1 1 1 -11 12 7  o 337.3622 6.480774 5585.756       214.0077 5673.539       306.7302 5502.491       298.7334 339.3904 9.241771 334.2551 9.139183 5.135315       12.99750 
1 1 1 -11 12 8  o 292.0683 5.710061 4184.338       163.2418 4247.297       234.7192 4125.356       227.1827 293.7984 8.169864 289.5747 8.022821 4.223694       11.45043 
1 1 1 -11 12 9  o 72.40585 5.239720 258.4291       36.88417 200.5000       52.64028 314.3000       51.69670 63.24336 8.736604 79.73082 6.685666 -16.48746      11.00120 
1 1 1 -11 12 10 o 274.6918 6.256928 3703.897       168.2337 3466.000       281.4735 3836.114       209.8390 264.7111 10.88647 279.2368 7.684583 -14.52573      13.32546 
1 1 1 -11 12 11 f 215.5586 4.433296 2277.630       93.54021 2269.503       132.5332 2285.697       132.0398 214.9110 6.307105 215.6833 6.260977 -0.7722931     8.887036 
1 1 1 -11 12 12 f 185.6698 3.987144 1689.378       72.46188 1629.432       100.9903 1752.989       104.0304 182.1366 5.671605 188.9271 5.631772 -6.790466      7.992743 
1 1 1 -11 12 13 o 209.8933 4.360368 2159.642       89.58346 2061.467       123.7529 2267.723       129.8469 204.8065 6.180203 214.8166 6.181724 -10.01009      8.741202 
1 1 1 -11 12 14 o 200.6062 5.940580 1977.551       116.5201 2007.000       163.2906 1947.000       166.3197 201.7112 8.288025 198.6131 8.575395 3.098114       11.92597 
1 1 1 -11 12 15 o 324.8916 7.270068 5192.298       231.1975 5122.158       280.4726 5341.000       408.3806 322.1623 8.902786 327.5519 12.76176 -5.389587      15.56027 
1 1 1 -11 12 16 o 124.4149 3.807759 759.3809       46.31660 758.2497       55.75476 761.9000       83.19990 124.2547 4.592093 124.2886 6.865556 -0.3388977E-01 8.259732 
1 1 1 -11 12 17 o 151.4975 4.076591 1126.071       60.39680 1074.381       72.43369 1244.000       109.4079 147.8821 5.011257 158.8573 7.053741 -10.97525      8.652627 
1 1 1 -11 12 18 o 146.3865 4.029243 1051.443       57.67896 981.5065       68.54974 1221.000       106.7367 141.3356 4.962749 157.3792 6.945944 -16.04358      8.536687 
1 1 1 -11 12 19 o 134.3660 3.377429 885.3213       44.38514 805.5014       59.43365 985.9719       66.73983 128.0362 4.750585 141.6650 4.820026 -13.62874      6.767622 
1 1 1 -11 12 20 o 31.07005 5.706876 48.91634       16.71649 39.17000       20.35606 69.10139       29.29462 27.71646 7.374634 36.70253 8.343890 -8.986069      11.13579 
1 1 1 -11 12 21 o 66.20129 4.197568 215.8273       27.06003 205.6000       32.82974 237.5000       47.79057 64.49162 5.245920 69.07306 7.172815 -4.581444      8.886448 
1 1 1 -11 12 22 o 263.5007 5.263969 3410.878       135.7692 3183.970       183.9339 3682.509       201.2451 254.0153 7.405586 273.1558 7.533966 -19.14046      10.56425 
1 1 1 -11 12 23 o 154.0207 5.330692 1167.238       80.24425 1086.000       113.3005 1249.000       113.6654 148.0915 7.844174 158.9598 7.324935 -10.86827      10.73246 
1 1 1 -11 12 24 o 239.3488 4.856137 2814.010       113.7702 2793.016       160.1380 2835.406       161.6634 237.9195 6.883590 239.7159 6.897005 -1.796341      9.744356 
1 1 1 -11 12 25 o 45.96387 4.015562 104.4692       17.88507 114.6612       23.27003 89.75839       27.95659 48.03981 5.022825 42.09330 7.033206 5.946507       8.642612 
1 1 1 -11 12 26 o 148.9367 3.528822 1088.198       51.44435 1074.461       72.16090 1102.396       73.36052 147.7349 4.997334 149.6420 5.015531 -1.907089      7.080176 
1 1 1 -11 12 27 o 31.10166 5.200669 48.88148       15.27390 43.98032       18.75849 58.52321       26.31031 29.26340 6.694438 33.68293 8.083315 -4.419531      10.49550 
1 1 1 -11 12 28 o 176.9897 3.908096 1538.837       67.70480 1431.730       91.89150 1666.029       100.1371 170.3168 5.519319 183.7229 5.574787 -13.40608      7.844815 
1 1 1 -11 12 29 o 157.6538 3.660518 1220.988       56.48759 1253.112       80.91270 1190.445       78.89648 159.3298 5.195106 155.2898 5.197815 4.040009       7.348905 
1 1 1 -11 12 30 o 115.3675 3.624300 654.8024       40.87662 631.7000       64.47178 670.3318       52.85902 112.8379 5.857304 116.5357 4.643274 -3.697823      7.474490 
1 1 1 -11 12 31 o 84.34671 3.795374 350.7670       31.25467 352.7719       37.49236 346.2000       56.58732 84.45232 4.552324 83.05910 7.026111 1.393211       8.371970 
1 1 1 -11 12 32 o 78.67000 3.229862 304.7558       24.81846 272.7666       32.85984 347.2382       37.86768 74.19135 4.546705 83.72163 4.639018 -9.530281      6.495615 
1 1 1 -11 12 33 f 75.51902 3.392654 281.2314       25.01450 307.1639       33.85488 250.0520       37.12212 78.73193 4.410663 70.78382 5.398603 7.948105       6.971289 
1 1 1 -11 12 34 o 74.67723 3.426079 275.2615       24.97659 281.3094       33.51542 267.7076       37.45676 75.24872 4.571866 73.22280 5.261169 2.025917       6.970068 
1 1 1 -11 12 35 o 60.07917 3.837584 178.9862       22.44975 172.8785       29.26891 187.7143       34.98880 58.73629 5.142719 60.99421 5.935475 -2.257919      7.853498 
1 1 1 -11 12 36 o 38.08769 6.075072 74.43472       21.88831 77.43031       25.25419 65.39000       43.88242 38.61524 6.936340 35.11567 11.26888 3.499577       13.23255 
1 1 1 -11 12 37 o 74.65202 3.615711 276.0251       26.34196 296.8046       36.35787 253.0650       38.21801 77.06044 4.844668 70.89761 5.551431 6.162827       7.368121 
1 1 1 -11 12 38 o 49.50026 4.930776 123.3949       23.57329 139.4000       33.51626 107.7265       33.16189 52.04435 6.737169 45.28398 7.760596 6.760368       10.27698 
1 1 1 -11 12 39 o 72.51082 4.037297 261.6917       28.54182 259.8000       42.24671 263.2801       38.71287 71.49457 6.094957 72.21416 5.518604 -0.7195892     8.222134 
1 1 1 -11 12 40 o 36.97348 6.795882 71.70812       23.68870 59.22976       27.37570 108.9000       47.26184 33.08973 8.429730 43.94631 11.01088 -10.85658      13.86722 
1 1 1 -11 12 41 o 76.02540 3.673303 287.4723       27.25428 261.8517       36.69639 318.9893       40.70060 71.95088 5.246577 79.43961 5.263978 -7.488724      7.432095 
1 1 1 -11 12 42 o 26.69746 7.693639 38.30912       21.20102 54.14465       28.24093 17.85959       32.09256 31.34964 8.829354 23.10605 9.284253 8.243582       12.81229 
1 1 1 -11 12 43 f 28.12803 7.562797 43.09455       21.27020 52.15944       28.67661 32.00816       31.71330 30.61366 8.984479 25.76935 9.515126 4.844307       13.08658 
1 1 1 -11 12 44 o 58.81670 4.388297 174.9178       25.08196 144.7333       33.92983 211.2866       37.24384 52.31449 6.785761 63.79998 6.035618 -11.48549      9.081589 
1 1 1 -11 12 45 o 13.10981 6.217497 -22.91645      21.43178 -27.70424      29.62233 -17.65740      31.04598 15.61892 7.378321 17.17807 7.925759 -1.559152      10.82854 
1 1 1 -11 12 46 o 71.16502 4.874847 258.5445       33.75226 317.0000       65.69066 237.5772       39.34260 75.21590 9.107825 67.48187 6.019328 7.734032       10.91718 
1 1 1 -11 12 47 o 39.18165 7.635855 84.68841       28.23221 35.18000       52.54713 104.7791       33.47398 28.41415 11.70544 43.34673 8.189453 -14.93258      14.28582 
1 1 1 -11 12 48 f 28.84823 8.656723 47.51698       26.38663 30.19000       47.69514 55.15931       31.67567 26.93074 11.12881 30.72077 9.537657 -3.790030      14.65665 
1 1 1 -11 12 49 o 69.93710 4.774055 250.7758       32.48548 244.8842       38.92350 264.3000       58.97240 68.31963 5.877574 68.01421 9.085167 0.3054199      10.82063 
1 1 1 -11 12 50 o 43.37822 6.550169 101.7686       26.94614 84.84177       34.01270 130.3000       44.15860 37.80052 9.265596 46.49344 10.00035 -8.692924      13.63298 
1 1 1 -11 12 51 o 18.50245 8.198215 -1.010053      29.44665 33.91000       44.10270 -29.10000      39.55516 26.51943 10.80096 18.04206 8.523932 8.477373       13.75929 
1 1 1 -11 12 52 o 67.42604 4.853112 235.0605       31.81552 268.2438       41.38324 187.1000       49.75163 71.06700 6.005240 56.28341 9.359236 14.78359       11.12017 
1 1 1 -11 12 53 o 45.30988 5.744480 109.3216       24.90530 123.1686       37.20144 98.07482       33.52724 46.02457 8.573154 40.89522 8.646407 5.129349       12.17618 
1 1 1 -11 12 54 o 58.31640 5.397424 178.8555       30.45990 146.0622       38.91878 230.7000       48.93484 50.52616 8.146283 63.79755 8.012528 -13.27139      11.42640 
1 1 1 -11 12 55 o 31.36310 7.668682 56.58356       23.34244 94.35130       34.01658 22.97274       32.08999 39.77513 8.953760 22.91293 9.256599 16.86220       12.87845 
1 1 1 -11 12 56 o 42.82238 6.006211 98.96133       24.48427 70.80003       35.31245 125.0345       33.97807 33.45513 10.00869 46.94712 7.657797 -13.49200      12.60221 
1 1 1 -11 12 57 o 41.25991 6.213909 92.81235       24.31768 116.4801       36.23555 73.41844       32.80114 44.33721 8.660242 34.35854 9.456245 9.978668       12.82265 
1 1 1 -11 12 58 f 45.04628 7.009389 113.9630       29.90127 105.7873       36.55288 130.5000       51.98604 41.45035 9.244692 43.04776 11.92683 -1.597404      15.09018 
1 1 1 -11 12 59 o 28.56074 8.108998 49.16383       23.72291 54.59150       35.54269 44.80333       31.85754 28.95985 10.15005 26.86006 9.591081 2.099789       13.96468 
1 1 1 -11 13 1  o 194.9202 5.803524 1865.314       110.6040 1784.000       154.4095 1951.000       158.5063 190.3043 8.309354 199.0517 8.152566 -8.747391      11.64086 
1 1 1 -11 13 2  o 280.3441 5.498154 3854.292       150.8741 3872.797       215.0867 3836.367       211.6901 280.6134 7.838349 279.3047 7.750613 1.308716       11.02324 
1 1 1 -11 13 3  o 423.5491 8.012650 8818.277       332.1897 9037.967       478.5103 8613.907       461.5243 427.6753 11.44093 417.5626 11.30229 10.11270       16.08218 
1 1 1 -11 13 4  o 193.0373 4.094949 1825.848       77.37415 1696.048       105.9227 1974.348       113.2962 185.8475 5.829933 200.5357 5.777906 -14.68823      8.208064 
1 1 1 -11 13 5  o 248.8281 4.975215 3035.568       121.1763 2964.854       170.1725 3108.307       172.5913 245.5896 7.086431 251.4760 7.018450 -5.886368      9.973773 
1 1 1 -11 13 6  o 245.2077 4.913315 2947.886       117.9275 2918.891       166.7731 2976.882       166.7762 243.6785 6.999270 246.0997 6.930257 -2.421204      9.849784 
1 1 1 -11 13 7  f 44.65547 4.215342 98.59205       18.20723 75.57000       30.51439 111.3198       22.68866 38.45915 8.346053 47.39039 4.964769 -8.931236      9.711103 
1 1 1 -11 13 8  o 57.42357 4.403871 162.5719       24.56428 149.4256       29.29576 193.7000       45.07931 54.91489 5.525167 62.32506 7.542658 -7.410168      9.349821 
1 1 1 -11 13 9  o 91.96273 3.068302 414.6771       27.58085 371.7368       39.27564 456.4547       38.74029 86.95504 4.631179 96.42125 4.114180 -9.466209      6.194699 
1 1 1 -11 13 10 o 104.8962 3.093146 539.4069       31.72429 526.5197       45.42830 551.6741       44.32201 103.5381 4.493195 106.0039 4.280409 -2.465836      6.205699 
1 1 1 -11 13 11 o 70.98811 3.112509 247.3091       21.57474 215.9943       30.19134 279.9874       30.84163 66.20551 4.689229 75.46374 4.191819 -9.258232      6.289691 
1 1 1 -11 13 12 o 65.45016 3.133646 210.3152       20.01720 180.1314       27.52910 244.1772       29.15829 60.42736 4.690993 70.44987 4.248134 -10.02251      6.328670 
1 1 1 -11 13 13 o 169.4704 3.769799 1407.496       62.53430 1315.050       85.81316 1512.182       91.31693 163.6106 5.365671 175.4628 5.323075 -11.85217      7.558145 
1 1 1 -11 13 14 o 223.5436 4.575211 2450.765       100.1105 2353.681       138.3624 2557.428       145.0279 218.7504 6.469048 228.0237 6.504433 -9.273270      9.173670 
1 1 1 -11 13 15 o 111.5140 3.727804 610.1559       40.63291 582.7722       47.70726 682.5000       77.54250 108.9170 4.484486 117.6209 6.763698 -8.703941      8.115309 
1 1 1 -11 13 16 o 155.8142 5.128828 1192.853       78.11584 1192.853       78.11584 0.000000       0.000000 155.8142 5.128828 ?        ?        ?              ?        
1 1 1 -11 13 17 o 156.0052 5.098855 1195.862       77.75604 1195.862       77.75604 0.000000       0.000000 156.0052 5.098855 ?        ?        ?              ?        
1 1 1 -11 13 18 o 130.1586 3.875504 831.3195       49.32001 769.7322       57.48970 1003.000       95.98540 125.1604 4.700992 142.5961 6.897332 -17.43578      8.347007 
1 1 1 -11 13 19 o 147.1936 3.999603 1063.207       57.57175 973.1000       90.29443 1124.932       74.73285 140.4848 6.584694 151.2903 5.053638 -10.80556      8.300448 
1 1 1 -11 13 20 o 109.9496 3.573443 593.2374       38.40692 543.0000       58.01585 632.4307       51.24358 104.9658 5.667694 113.4272 4.625171 -8.461433      7.315392 
1 1 1 -11 13 21 o 335.5453 6.495195 5542.024       213.3289 5321.818       293.1221 5790.008       311.0616 327.7694 9.145314 341.8216 9.305612 -14.05219      13.04727 
1 1 1 -11 13 22 o 133.4661 4.105206 874.7898       53.56678 887.8000       100.0397 869.5602       63.42540 133.8925 7.665286 132.9722 4.881280 0.9203186      9.087547 
1 1 1 -11 13 23 f 147.3740 5.272424 1068.891       75.93414 1008.000       108.6652 1127.000       106.1531 142.6320 7.813205 150.9743 7.204073 -8.342346      10.62755 
1 1 1 -11 13 24 o 261.7100 6.081002 3373.394       155.7764 3276.000       268.0137 3423.082       191.4321 255.9968 10.71959 263.1161 7.440421 -7.119278      13.04874 
1 1 1 -11 13 25 o 120.1764 3.917842 709.6208       46.02478 745.9000       87.03513 695.5375       54.22705 122.6320 7.283588 118.8780 4.669320 3.753937       8.651774 
1 1 1 -11 13 26 o 216.4910 4.490425 2303.516       95.15540 2343.652       135.8666 2264.875       133.3100 217.8109 6.379625 214.1196 6.367702 3.691284       9.013725 
1 1 1 -11 13 27 o 87.26820 3.082649 374.0317       26.29079 321.7686       34.69634 444.5009       40.28888 80.77876 4.404806 94.98968 4.344642 -14.21092      6.186941 
1 1 1 -11 13 28 o 149.6589 3.556340 1099.969       52.09692 1135.237       74.62995 1066.448       72.75804 151.6958 5.033096 147.0157 5.063606 4.680069       7.139479 
1 1 1 -11 13 29 o 119.3420 3.248923 699.8620       37.91707 698.5467       53.10736 701.2297       54.15361 118.9967 4.567947 119.2082 4.649955 -0.2115860     6.518299 
1 1 1 -11 13 30 o 135.8453 3.411758 907.5181       45.32996 956.1328       65.28983 862.2755       62.98478 139.1140 4.801977 132.0808 4.880195 7.033218       6.846552 
1 1 1 -11 13 31 o 62.52419 3.366222 192.7700       20.52546 174.4247       26.67677 219.3884       32.13372 59.25990 4.635901 66.43282 4.977849 -7.172920      6.802247 
1 1 1 -11 13 32 o 13.22502 5.768599 -2.553223      14.06315 15.32450       16.76413 -45.01732      25.83662 19.14268 6.941875 13.01245 6.333808 6.130230       9.397168 
1 1 1 -11 13 33 o 25.59678 7.129375 33.90742       18.52192 42.94019       20.80861 -0.5478000     40.64061 28.67512 7.372906 22.98629 9.917027 5.688833       12.35748 
1 1 1 -11 13 34 o 66.64623 3.551547 219.6523       23.08492 231.1040       30.48363 204.2545       35.34780 68.13290 4.597845 63.73030 5.727465 4.402599       7.344660 
1 1 1 -11 13 35 o 65.41973 4.038429 212.4850       25.73388 193.9194       29.87318 265.9000       50.67083 62.26105 4.942362 72.13462 7.275743 -9.873566      8.795645 
1 1 1 -11 13 36 o 40.15625 4.983333 81.48875       19.16740 93.91183       24.42426 61.57161       30.92574 42.87514 5.982495 33.87310 9.124313 9.002041       10.91070 
1 1 1 -11 13 37 o 53.26789 4.417273 141.9042       22.82477 131.1000       31.45695 153.9167       33.16927 50.55417 6.507812 54.91545 6.283722 -4.361279      9.046369 
1 1 1 -11 13 38 o 56.49890 4.363650 159.5949       23.94527 178.3000       33.82957 140.8142       33.89798 59.23527 5.913529 52.26361 6.786348 6.971657       9.001353 
1 1 1 -11 13 39 o 67.37246 3.804108 225.7611       24.98466 203.1868       33.43875 254.2915       37.59211 63.36922 5.443650 70.93425 5.456096 -7.565025      7.707289 
1 1 1 -11 13 40 o 49.55740 5.034345 124.3354       24.08211 109.1000       34.18291 139.3488       33.93295 45.26215 8.008534 51.79501 6.861740 -6.532864      10.54609 
1 1 1 -11 13 41 o 68.33602 4.448249 234.4861       29.59227 238.6535       35.39030 224.8000       53.95401 68.57709 5.313716 64.64755 8.750893 3.929535       10.23786 
1 1 1 -11 13 42 o 95.61500 3.538412 455.0515       33.05909 464.2185       46.44879 445.6406       47.06247 95.80146 4.970312 93.74969 5.148362 2.051765       7.156090 
1 1 1 -11 13 43 o 15.77205 6.891819 -1.708309      20.15009 -10.67133      26.17677 11.32628       31.56730 16.52745 7.492355 21.57232 8.995940 -5.044870      11.70736 
1 1 1 -11 13 44 o 48.78363 5.652041 123.4229       26.49013 130.2384       31.90574 108.3000       47.52674 49.55797 6.752813 42.37272 11.26572 7.185249       13.13457 
1 1 1 -11 13 45 o 28.21051 9.067945 44.42502       28.40667 2.883000       56.40726 58.54044       32.88048 25.30989 11.27286 31.83313 9.687471 -6.523235      14.86353 
1 1 1 -11 13 46 o 26.51724 7.945820 38.93916       22.24272 41.02394       30.55062 36.58754       32.44688 27.34591 9.420272 26.46314 9.648647 0.8827724      13.48473 
1 1 1 -11 13 47 o 40.17598 6.012085 85.49024       22.91704 62.28547       32.02676 109.8387       32.80648 32.60908 9.473705 44.57981 7.802294 -11.97073      12.27301 
1 1 1 -11 13 48 o 53.85826 5.586135 151.5621       29.02180 147.1095       35.14911 161.1000       51.44399 52.09676 7.075536 51.72908 10.51870 0.3676720      12.67700 
1 1 1 -11 13 49 o 61.23671 5.072323 193.9143       30.13109 193.7000       54.21290 194.0100       36.24481 57.07075 10.07284 60.46204 6.212600 -3.391289      11.83463 
1 1 1 -11 13 50 o 32.03448 9.457914 61.89915       31.69862 0.000000       0.000000 61.89915       31.69862 ?        ?        32.03448 9.457914 ?              ?        
1 1 1 -11 13 51 o 35.37015 7.047572 69.69750       23.54246 98.57330       34.36145 44.15033       32.32034 40.93090 8.835807 27.50253 9.675887 13.42837       13.10322 
1 1 1 -11 13 52 o 21.64791 8.445339 21.19641       25.83565 35.97992       33.97331 0.9219000      39.78545 25.81861 9.783336 21.16987 9.445631 4.648737       13.59903 
1 1 1 -11 13 53 o 37.71070 7.954823 81.70085       28.43784 102.3508       38.52239 56.97000       42.15733 40.85647 9.765687 30.22934 11.00165 10.62714       14.71071 
1 1 1 -11 13 54 o 47.03044 6.161000 119.2347       27.68065 117.0167       35.65408 122.6000       43.91796 44.89371 8.422981 44.23095 10.33168 0.6627617      13.33005 
1 1 1 -11 13 55 o 47.23571 6.014550 119.9815       27.17883 132.0147       34.70623 100.9000       43.70414 48.37932 7.577512 39.26688 10.95679 9.112438       13.32178 
1 1 1 -11 13 56 f 43.20935 5.890597 100.4394       24.26592 138.2213       36.08530 69.25077       32.78587 49.31927 7.728629 33.38466 9.550810 15.93461       12.28616 
1 1 1 -11 13 57 o 36.51306 7.012445 75.19502       24.15170 101.5118       35.51154 52.54603       32.94411 40.81918 9.118218 28.99086 9.786575 11.82833       13.37606 
1 1 1 -11 13 58 o 28.64466 7.892805 48.79591       22.83653 53.70389       34.63588 45.02153       30.37369 28.92768 10.02730 27.03317 9.389014 1.894506       13.73682 
1 1 1 -11 13 59 o 26.94986 8.686884 44.76289       26.05710 96.52000       52.10754 27.50466       30.08942 35.51688 12.29967 22.92879 9.062963 12.58809       15.27807 
1 1 1 -11 14 1  o 247.8653 7.016478 3020.557       170.0607 2953.000       238.8640 3090.000       242.1744 244.5013 10.00187 250.1384 9.910649 -5.637115      14.08042 
1 1 1 -11 14 2  o 98.81077 4.097787 479.2795       39.54726 449.9000       58.37649 504.2000       53.76432 95.52922 6.277823 101.2385 5.445570 -5.709290      8.310554 
1 1 1 -11 14 3  o 211.6796 4.374351 2196.239       90.63560 2242.135       131.2202 2154.365       125.3382 213.6201 6.282382 209.4145 6.121204 4.205597       8.771400 
1 1 1 -11 14 4  o 128.5691 3.274551 810.2085       41.17571 758.4517       58.66809 860.4520       57.80401 124.2800 4.831954 132.4156 4.466165 -8.135567      6.579849 
1 1 1 -11 14 5  o 111.4540 3.127767 608.9030       34.08839 531.7534       48.02077 687.2693       48.39798 104.0361 4.727979 118.3454 4.184596 -14.30935      6.313844 
1 1 1 -11 14 6  o 249.2304 5.782094 3048.292       141.0562 3079.107       174.3992 2990.000       239.8643 250.2107 7.128125 245.9793 9.983068 4.231400       12.26670 
1 1 1 -11 14 7  o 117.9226 3.712859 682.0181       42.80262 574.5000       76.33936 731.3169       51.69232 107.8664 7.272812 122.0688 4.333159 -14.20240      8.465817 
1 1 1 -11 14 8  o 72.56677 3.093805 258.3998       21.92498 245.1105       32.52485 269.4682       29.68288 70.54356 4.737807 74.03508 4.112178 -3.491524      6.273502 
1 1 1 -11 14 9  o 81.33101 3.076165 324.4644       24.44492 299.3339       36.00673 345.9499       33.29317 77.98635 4.739297 83.91668 4.065320 -5.930328      6.244019 
1 1 1 -11 14 10 o 98.71690 3.073751 477.8060       29.66449 454.8031       42.88042 498.9192       41.08124 96.20038 4.566861 100.8008 4.172664 -4.600410      6.186061 
1 1 1 -11 14 11 o 156.5678 3.598339 1201.201       55.14559 1174.791       78.17306 1227.361       77.80353 154.6501 5.171446 158.0910 5.034309 -3.440933      7.217210 
1 1 1 -11 14 12 o 49.67974 3.604590 121.5804       17.40914 132.2140       25.17264 111.8316       24.10267 51.66726 5.041515 47.44613 5.279184 4.221130       7.299771 
1 1 1 -11 14 13 o 102.7092 3.117859 517.2805       31.30898 475.0665       43.89721 560.9900       44.66803 98.31232 4.574197 106.8777 4.278406 -8.565384      6.263229 
1 1 1 -11 14 14 o 140.8587 3.933852 973.4202       54.18542 924.8513       65.98371 1074.000       94.95396 137.2012 4.921263 147.6493 6.586733 -10.44809      8.222158 
1 1 1 -11 14 15 o 98.40904 4.448946 475.9693       42.74387 475.9693       42.74387 0.000000       0.000000 98.40904 4.448946 ?        ?        ?              ?        
1 1 1 -11 14 16 o 182.8628 4.644744 1641.647       83.06950 1606.113       99.95292 1721.000       149.3671 180.7353 5.656938 186.6273 8.196603 -5.892029      9.959179 
1 1 1 -11 14 17 o 194.3537 4.812955 1853.785       91.56105 1779.067       109.0791 2032.000       168.4615 190.1802 5.866642 202.7154 8.508922 -12.53522      10.33534 
1 1 1 -11 14 18 o 88.27699 4.187037 383.0722       36.07621 370.2000       44.64279 407.3000       61.24643 86.66286 5.287913 90.69413 6.952148 -4.031273      8.734666 
1 1 1 -11 14 19 o 176.9865 5.452032 1540.432       94.33794 1492.000       127.5106 1599.000       140.2215 173.8038 7.512900 179.8344 7.985829 -6.030594      10.96436 
1 1 1 -11 14 20 o 112.9368 4.619792 627.1168       50.96199 627.1168       50.96199 0.000000       0.000000 112.9368 4.619792 ?        ?        ?              ?        
1 1 1 -11 14 21 o 219.5425 5.257558 2368.655       112.9819 2331.405       136.9589 2448.000       199.8864 217.4924 6.440487 222.0621 9.216112 -4.569672      11.24351 
1 1 1 -11 14 22 o 69.02947 3.765219 234.4166       25.34450 222.8414       29.15695 270.2000       51.26484 67.22710 4.456044 73.66191 7.201919 -6.434814      8.469000 
1 1 1 -11 14 23 o 103.5265 3.221241 525.9870       32.60261 513.0548       44.50206 540.9691       47.89925 102.1147 4.463090 104.8339 4.679690 -2.719131      6.466736 
1 1 1 -11 14 24 o 88.96376 3.903518 389.2037       33.90916 466.0000       68.96165 364.7151       38.94209 96.82011 7.331205 86.02705 4.641832 10.79307       8.677164 
1 1 1 -11 14 25 o 182.9689 4.688914 1647.040       83.90691 1455.000       139.8222 1755.117       104.8932 170.9747 8.380371 188.6506 5.686947 -17.67590      10.12778 
1 1 1 -11 14 26 o 249.1515 5.852025 3062.647       142.7171 2950.000       244.9447 3120.544       175.6035 242.2644 10.35320 250.8994 7.157666 -8.634995      12.58654 
1 1 1 -11 14 27 o 149.0598 4.200401 1093.453       61.22435 1030.000       108.2065 1123.333       74.25315 143.7220 7.720060 150.9036 5.034049 -7.181610      9.216342 
1 1 1 -11 14 28 o 114.7994 3.214648 647.5361       36.08704 594.9956       49.37442 707.7903       52.87476 109.8098 4.603828 119.8008 4.517114 -9.991005      6.449771 
1 1 1 -11 14 29 o 51.05801 3.606661 128.8001       17.90901 126.3674       23.05771 132.4992       28.43303 50.39941 4.729206 51.42527 5.746723 -1.025856      7.442460 
1 1 1 -11 14 30 o 34.97919 4.758316 61.50637       15.86980 76.09399       19.68127 34.39306       26.83193 38.86296 5.312757 26.65055 8.829345 12.21241       10.30450 
1 1 1 -11 14 31 o 114.0299 3.244235 639.9597       36.17393 670.4444       51.45002 610.1581       50.87024 116.4115 4.523877 111.0006 4.692596 5.410965       6.518123 
1 1 1 -11 14 32 o 60.76402 3.484803 182.4125       20.63982 171.5399       26.83217 198.1687       32.30095 58.68874 4.710360 62.97144 5.289248 -4.282700      7.082629 
1 1 1 -11 14 33 o 80.90058 3.306293 322.8874       26.12661 332.7994       34.99113 310.3989       39.27623 81.89112 4.381257 78.88028 5.114495 3.010841       6.734499 
1 1 1 -11 14 34 o 116.2651 3.866608 668.6815       43.94212 695.9515       54.18629 616.3000       75.09911 118.3210 4.687937 110.2854 6.992826 8.035599       8.418811 
1 1 1 -11 14 35 o 27.13036 6.456028 38.50359       16.89513 35.64564       20.66460 44.26563       29.34183 26.16220 7.612510 29.22273 9.195694 -3.060534      11.93780 
1 1 1 -11 14 36 o 28.50434 6.681913 42.68664       18.31676 56.17000       23.54199 22.00406       29.15724 32.56621 7.534955 23.70099 9.043858 8.865225       11.77144 
1 1 1 -11 14 37 o 40.77731 5.191213 84.41455       20.25109 88.49000       26.89229 79.07623       30.77816 41.22927 6.907843 38.42744 8.416184 2.801838       10.88809 
1 1 1 -11 14 38 o 30.31450 6.621014 48.37952       19.09495 66.13190       24.30607 19.75999       30.86155 35.36497 7.264820 23.49267 9.211173 11.87230       11.73130 
1 1 1 -11 14 39 o 23.32754 7.451132 27.78505       19.20223 27.21256       24.64407 28.66974       30.63550 23.91696 8.446088 25.27211 9.348353 -1.355152      12.59873 
1 1 1 -11 14 40 o 21.33570 7.434098 21.74077       19.04990 18.47979       24.29853 26.94209       30.68762 21.56547 8.249370 24.78114 9.318518 -3.215666      12.44536 
1 1 1 -11 14 41 o 72.98166 4.099208 266.7007       29.16559 283.7000       43.17069 252.4271       39.55840 74.35135 5.982359 70.20338 5.808653 4.147964       8.338409 
1 1 1 -11 14 42 o 42.50803 5.911846 94.08305       23.93327 84.02492       27.64235 124.2000       47.83233 39.47166 7.427064 46.14680 10.78439 -6.675140      13.09444 
1 1 1 -11 14 43 o 40.08366 6.419531 85.05729       24.33733 71.53743       28.28555 123.6000       47.75839 35.87692 8.229891 45.72768 10.83676 -9.850758      13.60759 
1 1 1 -11 14 44 o 42.06505 7.458489 96.20209       29.58559 149.1000       61.35193 80.17374       33.77173 48.44026 12.76310 37.36664 9.276544 11.07362       15.77818 
1 1 1 -11 14 45 o 50.99799 4.771643 133.0784       23.54263 153.4489       31.87753 108.6360       34.91850 54.06046 6.132401 44.09489 8.396813 9.965569       10.39773 
1 1 1 -11 14 46 f 32.97680 6.865110 59.26214       21.43818 65.04697       29.71036 52.97847       30.96485 33.61636 8.893226 30.29959 9.433743 3.316776       12.96476 
1 1 1 -11 14 47 o 37.12778 6.940520 75.19489       24.29590 84.30739       30.05798 58.02000       41.26559 38.63345 8.202415 31.24577 10.93778 7.387676       13.67168 
1 1 1 -11 14 48 o 19.49663 7.601081 15.42535       20.91735 23.44430       29.64727 7.477059       29.51637 23.01038 9.026335 20.00508 8.537565 3.005302       12.42436 
1 1 1 -11 14 49 o 17.16678 7.412273 2.478789       22.73973 -5.515000      38.00090 6.937983       28.38218 20.15005 9.091165 19.53882 8.356129 0.6112366      12.34804 
1 1 1 -11 14 50 o 52.66597 4.754952 143.3718       24.24846 120.9134       35.40429 163.2151       33.27929 46.07990 8.147398 55.17956 6.272751 -9.099667      10.28239 
1 1 1 -11 14 51 o 26.74869 8.721886 41.49748       26.22360 75.84000       54.17899 30.99043       29.96784 33.55124 12.42807 24.36038 9.198039 9.190861       15.46159 
1 1 1 -11 14 52 o 47.31821 6.152366 120.5178       27.82146 156.1000       57.18249 109.4825       31.84475 48.11177 12.14346 44.01435 7.670231 4.097420       14.36301 
1 1 1 -11 14 53 o 34.53433 7.915640 68.92532       26.18396 44.49000       51.82650 77.30013       30.34102 28.41536 11.65671 36.07985 8.694409 -7.664482      14.54207 
1 1 1 -11 14 54 o 15.02346 6.766026 -5.690839      20.94038 5.386822       30.75639 -15.26320      28.59044 19.64734 8.551003 16.26335 7.539515 3.383995       11.40017 
1 1 1 -11 14 55 o 27.22139 8.500826 43.80947       25.12317 47.51365       32.09645 37.95000       40.36829 27.99726 9.655199 26.39115 10.47643 1.606115       14.24705 
1 1 1 -11 14 56 f 27.25435 8.721397 44.25579       26.29827 50.55967       33.72794 34.48000       42.00119 28.62955 9.896449 25.89222 10.54236 2.737326       14.45963 
1 1 1 -11 14 57 o 25.59082 8.800998 38.75193       26.66233 51.40034       33.92884 18.33000       43.11212 28.57150 9.923290 23.43485 10.16226 5.136650       14.20364 
1 1 1 -11 14 58 o 27.29704 9.672689 46.87484       32.34443 10.44000       50.72436 71.84000       41.98801 23.27496 10.50201 32.12342 11.04460 -8.848455      15.24059 
1 1 1 -11 15 1  o 144.8852 4.813857 1030.508       68.17419 1060.000       101.1952 1006.000       92.25019 146.6905 7.068575 142.9556 6.610547 3.734909       9.678021 
1 1 1 -11 15 2  o 96.25851 3.048932 454.2886       28.69096 446.0704       43.65760 460.5361       38.06518 95.26498 4.696356 96.85509 4.023890 -1.590103      6.184453 
1 1 1 -11 15 3  o 146.2389 4.826844 1049.874       68.99807 918.2000       94.09840 1203.000       101.4746 136.4996 7.066847 156.3465 6.645910 -19.84689      9.700951 
1 1 1 -11 15 4  o 268.2274 5.310087 3529.723       139.4155 3322.504       190.6080 3768.120       204.4450 259.8135 7.502883 276.6912 7.555820 -16.87766      10.64818 
1 1 1 -11 15 5  f 57.06606 5.823381 161.4995       32.07273 161.4995       32.07273 0.000000       0.000000 57.06606 5.823381 ?        ?        ?              ?        
1 1 1 -11 15 6  o 141.2803 3.435804 977.9050       47.51339 868.2965       65.58586 1098.965       68.92673 132.9511 5.048961 149.6270 4.712086 -16.67593      6.906211 
1 1 1 -11 15 7  o 74.16299 3.173905 269.9255       22.98698 268.6772       35.21040 270.8528       30.34623 73.85057 4.898606 74.21466 4.194500 -0.3640900     6.449045 
1 1 1 -11 15 8  o 162.2050 3.674219 1289.315       58.33585 1250.400       83.03499 1327.242       81.97394 159.5383 5.324745 164.3978 5.100342 -4.859467      7.373358 
1 1 1 -11 15 9  o 130.5990 3.725928 836.5618       47.58130 935.2000       86.55548 793.8456       56.95980 137.8061 6.434586 127.1461 4.584275 10.66004       7.900599 
1 1 1 -11 15 10 o 93.09164 3.058073 424.9853       27.82755 412.4524       40.58535 436.1048       38.22850 91.59431 4.540992 94.22371 4.155183 -2.629395      6.155174 
1 1 1 -11 15 11 o 247.9120 4.977315 3015.679       120.7811 3106.451       175.4302 2933.877       166.5370 251.1750 7.142709 244.1270 6.976448 7.047989       9.984444 
1 1 1 -11 15 12 o 78.73746 3.183317 304.2424       24.48337 274.7143       35.74418 330.3408       33.60425 74.66299 4.918347 81.97169 4.202192 -7.308693      6.469046 
1 1 1 -11 15 13 o 310.3776 6.976768 4740.188       211.9585 4918.563       267.2932 4438.000       347.9030 315.5897 8.661034 298.5569 11.92889 17.03281       14.74150 
1 1 1 -11 15 14 o 214.7436 5.141423 2263.750       108.0711 2233.186       132.6803 2324.000       186.2872 213.0233 6.370322 216.7797 8.797544 -3.756363      10.86176 
1 1 1 -11 15 15 o 177.5042 3.915927 1544.834       68.03766 1479.149       94.60342 1615.208       97.92191 173.4389 5.579814 181.2561 5.525715 -7.817200      7.852888 
1 1 1 -11 15 16 o 146.2711 4.131273 1050.129       59.08991 1002.031       70.38188 1165.000       108.7681 142.7775 5.044031 153.6240 7.253786 -10.84650      8.835137 
1 1 1 -11 15 17 o 115.7925 4.449654 658.8113       50.33894 641.0000       65.66369 684.2000       78.39686 114.0413 5.902516 117.6944 6.834534 -3.653091      9.030535 
1 1 1 -11 15 18 o 68.47470 4.395250 231.0069       29.30357 242.1000       35.83041 208.6000       50.92337 70.00779 5.267397 64.48268 8.257283 5.525108       9.794293 
1 1 1 -11 15 19 o 79.30184 3.786336 309.1067       29.30571 274.3897       34.08142 407.6000       57.40505 74.61414 4.690218 90.75867 6.504972 -16.14452      8.019526 
1 1 1 -11 15 20 o 84.28107 5.422885 350.6202       44.49957 302.4000       68.80100 385.3000       58.34701 77.57866 9.241871 88.16068 6.814268 -10.58202      11.48244 
1 1 1 -11 15 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 15 22 o 200.6758 6.186817 1986.022       121.3806 1934.000       171.6949 2038.000       171.6213 197.2201 8.917126 202.5475 8.676522 -5.327316      12.44175 
1 1 1 -11 15 23 o 172.0244 4.485504 1454.840       75.46346 1513.444       94.06332 1349.000       126.4105 175.2622 5.489866 164.8723 7.855616 10.38991       9.583805 
1 1 1 -11 15 24 o 102.7188 3.632685 518.4680       36.46696 473.2567       42.32198 648.8000       71.85693 98.03488 4.421794 114.4613 6.439595 -16.42645      7.811572 
1 1 1 -11 15 25 o 149.8675 5.300142 1107.904       77.62774 1072.000       111.2282 1142.000       108.3911 146.7564 7.770741 151.6241 7.324971 -4.867676      10.67893 
1 1 1 -11 15 26 o 96.38306 3.118275 456.3170       29.37984 422.4682       39.68900 497.3503       43.69853 92.56582 4.392931 100.4415 4.455843 -7.875641      6.257186 
1 1 1 -11 15 27 o 145.6621 3.507249 1042.297       50.00570 1048.312       71.08437 1036.403       70.35867 145.7203 4.991020 144.8951 4.968220 0.8252869      7.042264 
1 1 1 -11 15 28 o 134.3626 3.383215 887.6422       44.45991 872.9816       62.23684 902.9206       63.53488 132.9401 4.790668 135.1986 4.808681 -2.258560      6.787776 
1 1 1 -11 15 29 o 94.37025 4.557908 440.4740       41.97791 0.000000       0.000000 440.4740       41.97791 ?        ?        94.37025 4.557908 ?              ?        
1 1 1 -11 15 30 o 101.8258 4.478541 513.0010       44.52837 513.0010       44.52837 0.000000       0.000000 101.8258 4.478541 ?        ?        ?              ?        
1 1 1 -11 15 31 f 66.77883 3.406415 220.0822       22.19246 221.1710       29.38552 218.6369       33.85709 66.73319 4.525452 66.17711 5.270305 0.5560837      6.946641 
1 1 1 -11 15 32 o 36.27097 5.230443 66.66260       18.03372 56.89653       20.23860 104.3000       39.73108 33.16802 6.466235 44.29301 9.452148 -11.12499      11.45231 
1 1 1 -11 15 33 o 47.74232 4.499284 113.9547       20.77790 127.6200       23.99016 72.93000       41.56673 50.44777 4.920787 36.79960 10.82145 13.64817       11.88772 
1 1 1 -11 15 34 o 43.33430 4.375877 94.02749       18.30707 101.0413       22.72405 81.05708       30.90188 44.71244 5.294837 39.09696 8.329982 5.615479       9.870354 
1 1 1 -11 15 35 o 58.63120 4.093696 171.1610       23.34606 193.9000       31.49219 143.4173       34.78557 62.10067 5.229384 52.79889 6.895426 9.301777       8.654095 
1 1 1 -11 15 36 o 50.26223 4.198907 126.2421       20.46923 128.9086       25.82065 121.7318       33.58082 50.49033 5.303685 48.35979 7.323100 2.130539       9.041950 
1 1 1 -11 15 37 o 38.00451 5.350892 73.72401       19.35487 96.11090       24.32939 35.13190       31.94357 43.31514 5.890847 27.04966 9.609838 16.26548       11.27169 
1 1 1 -11 15 38 o 39.74007 5.153605 80.42123       19.57517 75.13270       24.57125 89.60925       32.38700 37.83365 6.888738 40.82804 8.384995 -2.994385      10.85186 
1 1 1 -11 15 39 o 49.36591 4.444041 122.5839       21.24430 112.9552       26.97957 138.2961       34.46429 46.84432 6.023217 51.48187 7.022107 -4.637550      9.251439 
1 1 1 -11 15 40 o 18.69748 7.253887 12.68573       18.97725 26.80277       23.79757 -11.97159      31.45095 23.51718 8.300222 18.24496 8.247468 5.272224       11.70104 
1 1 1 -11 15 41 o 26.04521 7.337967 36.58029       19.50267 29.33850       24.63355 48.74348       31.92476 24.20251 8.452318 29.78169 9.616721 -5.579172      12.80324 
1 1 1 -11 15 42 o 30.47033 7.509552 50.91376       22.25119 52.82178       25.28796 44.37000       46.83117 30.81762 8.228607 29.72112 11.43127 1.096502       14.08488 
1 1 1 -11 15 43 o 40.81641 9.142224 94.69006       35.61610 124.0000       59.50718 78.33000       44.45845 44.03396 12.94758 36.07837 11.31455 7.955597       17.19473 
1 1 1 -11 15 44 o 23.05943 7.548230 28.10778       19.63183 20.66958       25.15708 39.69202       31.39495 21.85363 8.385234 27.14107 9.537361 -5.287439      12.69935 
1 1 1 -11 15 45 o 14.26099 6.453657 -7.925141      19.32060 7.602953       25.61277 -28.42682      29.43013 19.16264 8.054670 15.41429 7.303226 3.748358       10.87266 
1 1 1 -11 15 46 o 33.54860 7.220820 62.07335       23.00909 42.78026       28.29088 99.77000       39.54548 27.55966 9.063444 40.96275 9.960471 -13.40308      13.46689 
1 1 1 -11 15 47 o 43.06820 5.346626 96.90070       22.05563 110.4999       31.44965 83.73920       30.93936 44.80913 7.430566 38.25129 8.485520 6.557838       11.27907 
1 1 1 -11 15 48 o 24.56511 8.067275 33.29996       22.41680 56.11000       36.40123 19.36459       28.45196 30.58293 10.28717 21.91085 8.763033 8.672081       13.51357 
1 1 1 -11 15 49 o 21.93620 7.758947 25.11794       20.80394 36.52572       29.81511 14.29372       29.04252 25.68309 9.265369 20.91220 8.666874 4.770893       12.68707 
1 1 1 -11 15 50 o 44.20963 5.438263 103.1855       23.03802 101.8775       33.84471 104.3148       31.44845 41.82142 8.556384 42.92609 7.770657 -1.104668      11.55832 
1 1 1 -11 15 51 o 25.57225 8.027389 37.30780       22.37304 42.22429       34.69225 33.80714       29.27387 27.13891 9.963803 24.92801 9.152594 2.210903       13.52950 
1 1 1 -11 15 52 o 60.68979 4.429103 189.3090       26.12989 249.9667       41.12791 148.2523       33.83653 68.26012 6.223888 52.01817 6.808736 16.24195       9.224731 
1 1 1 -11 15 53 o 26.75423 7.955744 41.46419       22.36422 87.58677       34.23658 7.135165       29.53686 37.98700 9.286798 19.63757 8.463216 18.34944       12.56466 
1 1 1 -11 15 54 o 28.28542 8.385989 47.22975       24.87816 56.38000       45.64125 43.36190       29.67396 29.93859 11.34070 27.06709 9.285596 2.871496       14.65721 
1 1 1 -11 15 55 o 26.48802 8.552489 41.34812       25.25016 50.82000       46.87116 37.47532       29.97092 28.85382 11.34011 25.56528 9.280326 3.288542       14.65342 
1 1 1 -11 15 56 o 25.01372 9.329806 35.44212       30.63262 44.79000       46.27368 28.15000       40.86996 27.65142 11.13519 24.63509 10.25161 3.016336       15.13565 
1 1 1 -11 15 57 o 32.74099 9.071430 66.87970       30.07342 0.000000       0.000000 66.87970       30.07342 ?        ?        32.74099 9.071430 ?              ?        
1 1 1 -11 15 58 o 27.35241 8.122899 45.16281       23.32608 73.81744       36.35905 25.11954       30.40882 33.26788 10.19932 22.54211 9.044405 10.72577       13.63185 
1 1 1 -11 16 1  o 81.48440 4.160103 326.3318       33.07083 319.1000       52.46359 331.1000       42.60032 80.29623 6.737146 81.96842 5.338626 -1.672188      8.595933 
1 1 1 -11 16 2  o 49.46837 3.720350 120.5980       17.88231 101.7732       29.84869 131.1374       22.33404 44.96986 7.009502 51.52209 4.472888 -6.552227      8.315037 
1 1 1 -11 16 3  o 150.5765 4.149055 1112.332       61.09398 1093.511       75.15544 1149.000       104.9002 149.1985 5.153977 152.7003 7.037189 -3.501892      8.722701 
1 1 1 -11 16 4  o 81.36008 4.022272 325.2640       31.93306 0.000000       0.000000 325.2640       31.93306 ?        ?        81.36008 4.022272 ?              ?        
1 1 1 -11 16 5  f 182.0820 4.582630 1626.985       81.60992 1536.972       98.42618 1825.000       145.9852 176.8391 5.693674 192.3784 7.768561 -15.53934      9.631639 
1 1 1 -11 16 6  o 108.7764 3.151547 580.1512       33.52018 511.4567       47.98294 645.6313       46.84686 101.9953 4.819821 114.6798 4.180370 -12.68452      6.380139 
1 1 1 -11 16 7  o 160.8394 3.656890 1267.810       57.57190 1255.462       82.68046 1279.432       80.21350 159.8482 5.291611 161.3929 5.083923 -1.544647      7.338080 
1 1 1 -11 16 8  o 226.9306 4.634051 2525.992       102.9343 2479.720       145.1964 2572.745       145.9487 224.4868 6.615044 228.6785 6.526992 -4.191711      9.293031 
1 1 1 -11 16 9  o 150.9781 3.529931 1117.081       52.16587 1110.209       75.19592 1123.457       72.42921 150.3161 5.118192 151.2362 4.899201 -0.9201050     7.085059 
1 1 1 -11 16 10 o 32.99746 4.719194 54.49479       14.80889 40.46813       24.37033 62.70625       18.64638 28.38228 8.269372 35.30838 5.580458 -6.926100      9.976172 
1 1 1 -11 16 11 o 178.1226 3.903626 1555.462       68.06024 1538.036       97.01514 1572.350       95.50605 176.8726 5.610769 178.8577 5.461678 -1.985123      7.830112 
1 1 1 -11 16 12 o 96.56384 3.535619 457.6261       33.36202 442.1382       43.24311 480.4000       52.43702 94.81372 4.673908 98.75735 5.445612 -3.943634      7.176357 
1 1 1 -11 16 13 o 184.8242 4.619326 1676.087       83.56868 1675.034       104.0506 1678.000       140.2699 184.5465 5.767210 184.3380 7.791548 0.2084656      9.693757 
1 1 1 -11 16 14 o 62.59776 3.453765 192.6378       21.08004 188.9499       30.98357 195.8161       28.76343 61.82036 5.167510 62.99503 4.698590 -1.174671      6.984262 
1 1 1 -11 16 15 o 141.5630 3.484600 982.2904       48.28463 940.3746       68.20552 1024.401       68.36431 138.3027 5.046746 144.3823 4.844229 -6.079575      6.995441 
1 1 1 -11 16 16 o 87.15103 4.470367 373.6772       38.00742 420.3000       49.87481 309.1000       58.69777 92.31895 5.544857 78.79592 7.708992 13.52303       9.495998 
1 1 1 -11 16 17 o 264.2739 7.466919 3447.239       192.9596 3551.000       275.9768 3348.000       269.8969 267.0964 10.57689 259.3050 10.65632 7.791382       15.01425 
1 1 1 -11 16 18 o 44.01895 5.387737 96.64151       22.73076 96.73436       26.59776 96.39000       43.77467 43.87756 6.379698 43.18430 10.46648 0.6932602      12.25756 
1 1 1 -11 16 19 o 127.5352 4.608412 799.6982       57.43449 714.2000       73.92465 929.9000       91.22618 120.2692 6.301534 137.1822 6.815183 -16.91296      9.282028 
1 1 1 -11 16 20 o 127.8227 3.991237 802.5112       49.87575 784.3754       60.59745 840.6000       87.81799 126.2517 4.912930 130.3657 6.906630 -4.113998      8.475755 
1 1 1 -11 16 21 o 235.7850 5.571190 2736.162       128.5791 2779.396       158.8460 2654.000       218.9778 237.2059 6.848562 230.7113 9.718492 6.494659       11.88915 
1 1 1 -11 16 22 o 281.1608 7.983292 3920.275       219.4841 3969.000       314.4775 3874.000       306.4721 280.9642 11.45895 277.6782 11.29929 3.285980       16.09290 
1 1 1 -11 16 23 o 96.04217 4.969270 455.0397       46.55662 478.0000       70.29671 437.1000       62.13763 97.98409 7.383810 93.79566 6.814564 4.188423       10.04783 
1 1 1 -11 16 24 o 83.32841 5.206357 343.3601       42.25302 392.1000       66.22624 309.9000       54.87206 88.55215 7.717576 78.76778 7.196404 9.784370       10.55221 
1 1 1 -11 16 25 o 49.00107 4.413007 119.0792       20.93983 114.0771       23.83480 136.0000       43.83763 47.83216 5.173006 51.43751 9.036434 -3.605350      10.41235 
1 1 1 -11 16 26 o 131.8424 3.937023 855.5154       50.75077 807.2288       60.05849 976.1000       94.90896 127.8874 4.806335 140.0270 6.946195 -12.13965      8.446921 
1 1 1 -11 16 27 o 173.0270 4.515075 1476.684       76.40361 1481.478       93.42226 1467.000       132.7700 172.9749 5.524822 171.0728 7.950641 1.902176       9.681753 
1 1 1 -11 16 28 o 168.7704 5.673575 1413.476       93.59261 1275.000       129.4791 1565.000       135.4420 159.0052 8.348464 176.4940 7.859736 -17.48883      11.46614 
1 1 1 -11 16 29 o 88.59401 3.731899 387.2104       32.28990 366.1979       38.14848 440.3000       60.63775 85.98513 4.548785 93.70044 6.654733 -7.715309      8.060826 
1 1 1 -11 16 30 o 41.73114 4.758273 87.26942       19.08953 72.47166       21.89322 134.2000       38.98877 37.66754 6.149956 50.97621 8.083269 -13.30867      10.15683 
1 1 1 -11 16 31 o 104.5952 4.998253 544.1374       51.02436 552.0000       82.15515 539.2000       65.10263 103.9997 8.135119 103.5689 6.453969 0.4308167      10.38431 
1 1 1 -11 16 32 o 104.3626 3.774389 538.5520       38.49301 589.6530       48.53366 451.9000       63.20010 108.9550 4.560905 94.45285 6.883157 14.50219       8.257100 
1 1 1 -11 16 33 o 90.96352 3.303816 408.5109       29.36752 465.1031       41.85311 353.6230       41.21807 96.73872 4.431762 84.13492 5.027948 12.60381       6.702296 
1 1 1 -11 16 34 o 25.13048 6.679817 33.05983       16.71158 25.79000       20.32821 48.21593       29.35151 22.97759 7.687066 30.22551 9.143468 -7.247921      11.94546 
1 1 1 -11 16 35 o 145.9949 3.725357 1055.442       53.19329 1100.721       77.20387 1014.521       73.39399 148.1987 5.330850 142.3032 5.278286 5.895538       7.501884 
1 1 1 -11 16 36 o 8.433972 4.222803 -40.94679      14.76131 -36.23600      16.92631 -55.90900      30.16570 9.867221 4.868028 13.65362 6.688313 -3.786403      8.272318 
1 1 1 -11 16 37 o 29.54210 6.379107 45.88769       17.90558 51.21169       21.55901 34.04891       32.14867 31.02502 7.233128 26.74948 9.624863 4.275536       12.03977 
1 1 1 -11 16 38 o 24.33466 6.931281 31.18847       17.30483 31.64957       20.79230 30.14920       31.21535 24.68883 7.736975 25.65914 9.446115 -0.9703045     12.21024 
1 1 1 -11 16 39 o 67.81280 3.759141 229.2860       24.85443 231.6737       32.76372 226.0495       38.14595 67.70107 4.978976 66.43459 5.928301 1.266479       7.741767 
1 1 1 -11 16 40 o 11.05905 5.339387 -25.97016      17.41826 -15.38980      21.33831 -47.09888      30.15409 14.11160 6.532047 14.17420 6.886327 -0.6259060E-01 9.491530 
1 1 1 -11 16 41 o 18.65899 7.606797 9.521236       21.89999 4.296566       24.91409 27.28000       45.93270 18.51871 7.871472 26.92611 11.00152 -8.407398      13.52751 
1 1 1 -11 16 42 o 16.97381 7.594783 -6.662585      25.91392 102.4000       54.37746 -38.70935      29.47631 40.44506 12.48639 14.54772 7.004169 25.89734       14.31672 
1 1 1 -11 16 43 o 18.84761 7.348085 13.53519       19.54816 21.82358       25.51161 1.748388       30.42290 22.19844 8.462234 19.55544 8.507841 2.642998       11.99970 
1 1 1 -11 16 44 o 88.87834 4.096895 398.3712       35.54571 435.5479       44.26836 330.9000       59.63713 92.34930 4.914967 77.90244 7.931444 14.44686       9.330847 
1 1 1 -11 16 45 o 57.61620 4.731662 169.8485       26.44993 216.3609       34.15849 100.2000       41.79940 64.62901 5.450394 40.77885 10.43119 23.85017       11.76930 
1 1 1 -11 16 46 o 51.60938 4.478372 136.1075       22.39953 171.9558       32.44956 103.4780       30.95847 57.22293 5.876817 43.27918 7.584226 13.94374       9.594658 
1 1 1 -11 16 47 f 16.43194 7.164477 0.9815637E-01  21.67349 1.828000       35.40268 -0.9388113     27.41039 20.55873 9.054434 18.06402 7.960969 2.494709       12.05653 
1 1 1 -11 16 48 o 24.05548 7.800336 32.03949       20.99055 47.16235       30.93703 19.13877       28.57384 28.36443 9.482996 21.80203 8.760428 6.562403       12.91016 
1 1 1 -11 16 49 o 29.70893 7.448590 50.14561       21.61759 58.54650       33.07897 43.88319       28.56016 30.98499 9.765583 27.41571 9.110126 3.569281       13.35519 
1 1 1 -11 16 50 o 21.85507 7.908857 24.67373       21.74493 76.47811       33.33133 -13.71195      28.69155 35.43741 9.440217 16.52786 7.623447 18.90955       12.13403 
1 1 1 -11 16 51 o 22.46410 7.856787 27.16584       21.28925 20.71288       32.33374 32.10420       28.28578 22.54821 9.223656 24.36204 8.987873 -1.813837      12.87857 
1 1 1 -11 16 52 o 48.39552 5.029187 122.5472       23.47668 173.7435       35.57821 83.06376       31.24445 56.51115 6.553322 37.40117 8.699281 19.10999       10.89144 
1 1 1 -11 16 53 o 34.99727 6.588932 67.70257       21.74326 107.3317       32.58193 35.88354       29.19530 43.21731 7.996620 25.24878 9.160314 17.96853       12.15966 
1 1 1 -11 16 54 o 35.58846 6.622039 70.26133       22.21912 69.01197       32.35354 71.37656       30.56762 33.33600 9.471569 34.25465 9.001040 -0.9186516     13.06634 
1 1 1 -11 16 55 o 20.30997 8.177437 16.79248       24.95141 11.51740       32.63018 24.22000       38.71923 20.88426 8.946230 23.87918 9.960870 -2.994926      13.38858 
1 1 1 -11 16 56 o 44.27108 6.244142 107.3549       26.30765 184.8000       53.60854 82.78821       30.19328 53.53130 10.60615 37.14122 8.490718 16.39008       13.58613 
1 1 1 -11 16 57 o 31.02687 7.368167 56.23782       22.04213 65.51476       34.30096 49.71220       28.76834 31.57053 9.943549 28.15232 9.132089 3.418209       13.50071 
1 1 1 -11 17 1  o 92.42071 3.871835 419.4250       34.94856 385.5943       43.65554 479.8000       58.31930 88.49988 5.060631 98.63821 6.069729 -10.13834      7.902633 
1 1 1 -11 17 2  o 138.7877 4.990100 946.3917       67.67979 841.8000       94.61220 1056.000       96.85455 130.5625 7.433971 146.3825 6.778057 -15.82001      10.06012 
1 1 1 -11 17 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 17 4  o 165.6494 3.739482 1344.953       60.63277 1246.789       84.52515 1449.009       87.02486 159.2659 5.429907 171.7421 5.182719 -12.47614      7.506296 
1 1 1 -11 17 5  o 98.12810 3.648165 472.5944       34.97980 415.1119       44.99572 560.4000       55.61148 91.83443 5.024785 106.7088 5.341227 -14.87435      7.333291 
1 1 1 -11 17 6  o 191.5067 4.110531 1798.255       77.05275 1709.121       108.1631 1890.097       109.7933 186.4192 5.935208 196.0824 5.726596 -9.663147      8.247460 
1 1 1 -11 17 7  o 54.76527 3.512007 147.5901       18.72716 160.2198       31.56588 140.7304       23.26349 56.82428 5.754389 53.37594 4.494412 3.448341       7.301557 
1 1 1 -11 17 8  o 45.56693 3.867022 102.5207       17.08501 68.17555       28.54098 121.7008       21.32859 36.47269 8.194950 49.61412 4.438723 -13.14143      9.319842 
1 1 1 -11 17 9  o 229.6144 4.684453 2586.886       105.2844 2670.156       153.4014 2512.729       144.7632 232.8697 6.737004 225.9319 6.552899 6.937775       9.398282 
1 1 1 -11 17 10 o 79.53481 3.184993 310.4596       24.74530 271.9052       36.71642 342.5459       33.49525 74.25118 5.082503 83.47653 4.111982 -9.225349      6.537602 
1 1 1 -11 17 11 o 112.8653 3.633016 625.0830       40.08369 622.5898       51.81112 628.8000       63.26213 112.5388 4.713866 112.9801 5.739325 -0.4412689     7.427004 
1 1 1 -11 17 12 o 248.7920 5.762550 3041.836       140.3322 3091.709       175.0026 2952.000       234.8747 250.4471 7.146059 243.9366 9.857082 6.510529       12.17490 
1 1 1 -11 17 13 f 242.9789 4.910630 2898.302       116.7917 2906.798       166.7124 2890.115       163.6665 242.8480 7.020748 242.1759 6.911417 0.6721191      9.851832 
1 1 1 -11 17 14 o 238.1411 4.855140 2784.205       113.1729 2878.397       165.5618 2701.587       155.0555 241.6287 7.007521 234.1402 6.772695 7.488510       9.745500 
1 1 1 -11 17 15 o 164.7898 4.256668 1333.250       68.60293 1327.000       117.2884 1336.500       84.58016 163.8954 7.329633 164.8555 5.248227 -0.9601135     9.014844 
1 1 1 -11 17 16 o 131.2759 3.780474 845.8764       48.52717 836.4000       81.71080 851.0400       60.31617 130.1805 6.432420 131.5738 4.690874 -1.393280      7.961176 
1 1 1 -11 17 17 f 170.1075 4.518602 1421.641       75.17075 1434.816       93.12260 1397.000       127.3550 170.7233 5.580074 167.9977 7.765741 2.725616       9.562634 
1 1 1 -11 17 18 f 230.4073 5.491356 2610.740       123.8460 2574.608       150.6700 2686.000       217.4521 228.4306 6.745938 232.3766 9.580708 -3.945969      11.71741 
1 1 1 -11 17 19 o 117.3281 3.927919 676.2798       45.04620 674.0594       55.21272 680.7000       77.90215 117.0218 4.830598 117.2682 6.816148 -0.2463608     8.354313 
1 1 1 -11 17 20 o 109.4401 5.027437 590.1729       53.71153 577.2000       80.25047 600.7000       72.29071 107.7460 7.659154 110.1197 6.739010 -2.373657      10.20181 
1 1 1 -11 17 21 o 109.5370 3.780707 589.6176       40.47515 553.4612       47.94486 679.3000       75.50983 106.0113 4.631620 117.1114 6.614040 -11.10007      8.074492 
1 1 1 -11 17 22 o 154.0422 5.391161 1170.286       81.16303 1081.000       114.0194 1262.000       115.5599 147.3803 7.932984 159.4327 7.425368 -12.05240      10.86592 
1 1 1 -11 17 23 o 144.8698 5.227724 1035.483       74.00893 1025.000       107.2866 1045.000       102.2256 143.4715 7.667496 145.0069 7.224950 -1.535416      10.53520 
1 1 1 -11 17 24 o 115.0935 3.767441 651.5729       42.38557 635.6702       50.65620 688.7000       77.40026 113.5446 4.567167 117.6901 6.747148 -4.145432      8.147577 
1 1 1 -11 17 25 o 118.6964 4.979912 696.0927       57.72975 678.0000       84.68527 711.8000       78.90522 116.4570 7.468465 119.5568 6.770237 -3.099762      10.08038 
1 1 1 -11 17 26 o 190.8106 6.012860 1806.573       112.1624 1818.000       161.7941 1796.000       155.6287 189.9901 8.723406 189.0093 8.433254 0.9807739      12.13333 
1 1 1 -11 17 27 o 158.1345 4.293832 1233.862       66.40119 1192.797       79.83843 1326.000       119.5915 155.1621 5.264407 162.5835 7.535298 -7.421326      9.192100 
1 1 1 -11 17 28 o 116.0380 3.886169 664.2173       44.07729 635.6779       52.85299 729.4000       79.87556 113.2862 4.777074 120.6484 6.791145 -7.362114      8.303018 
1 1 1 -11 17 29 o 135.4781 4.061244 906.5171       53.79524 824.3501       62.87437 1131.000       103.9242 128.8855 4.993277 149.9759 7.099431 -21.09038      8.679559 
1 1 1 -11 17 30 o 95.19486 4.615987 449.8445       42.88326 449.8445       42.88326 0.000000       0.000000 95.19486 4.615987 ?        ?        ?              ?        
1 1 1 -11 17 31 o 29.58130 7.303282 45.96394       21.01806 45.96394       21.01806 0.000000       0.000000 29.58130 7.303282 ?        ?        ?              ?        
1 1 1 -11 17 32 o 57.67186 4.230077 165.6178       23.71301 146.3910       27.10694 228.3000       48.94396 53.96103 5.196264 66.60050 7.646377 -12.63948      9.244904 
1 1 1 -11 17 33 o 34.80924 6.190553 62.65209       20.31958 72.02000       23.24837 32.34000       41.81954 37.25574 6.617621 28.19048 10.81260 9.065260       12.67696 
1 1 1 -11 17 34 o 38.87773 5.654519 77.30036       20.88777 67.86451       23.87393 108.1000       43.13264 35.97726 7.031543 44.43948 10.14045 -8.462212      12.33982 
1 1 1 -11 17 35 o 74.07615 3.663012 272.2411       26.47731 285.3008       36.28956 257.3755       38.71738 75.42363 4.942739 71.38129 5.585802 4.042343       7.458677 
1 1 1 -11 17 36 o 34.07316 5.767917 60.00314       18.55136 56.98363       23.20461 65.35143       30.88253 32.71175 7.418443 34.63876 9.020717 -1.927010      11.67932 
1 1 1 -11 17 37 o 95.62552 3.476527 453.4008       32.48645 467.4223       45.29544 438.5482       46.61868 96.52924 4.809049 93.34014 5.122160 3.189095       7.025915 
1 1 1 -11 17 38 o 20.09343 7.221076 18.33022       18.08946 15.93746       22.35229 22.87196       30.79523 20.46139 7.890231 23.90449 9.249658 -3.443098      12.15779 
1 1 1 -11 17 39 o 34.73605 6.103690 63.29206       19.99591 54.31138       26.09171 76.07343       31.12694 31.43297 8.342643 37.08392 8.722333 -5.650944      12.06975 
1 1 1 -11 17 40 o 113.0599 4.081115 640.6216       45.09005 653.3281       54.93921 614.4000       78.92231 113.5499 4.954917 107.7381 7.531267 5.811798       9.015054 
1 1 1 -11 17 41 o 47.22906 4.731540 113.8256       21.57925 132.9072       29.02394 90.23927       32.26862 50.47873 5.990790 40.24608 8.460276 10.23265       10.36657 
1 1 1 -11 17 42 o 33.35120 6.357836 59.50434       19.99781 82.19052       26.87903 31.37871       29.92844 38.85611 7.336052 25.10996 9.248416 13.74616       11.80470 
1 1 1 -11 17 43 o 19.31410 7.285069 16.09153       18.78779 27.09465       24.69413 0.9684349      28.95050 23.31569 8.429409 18.98500 8.278940 4.330692       11.81507 
1 1 1 -11 17 44 o 53.72211 4.766771 147.8186       24.80599 182.0942       31.61516 92.92000       40.01139 59.23739 5.515858 39.38477 10.27327 19.85262       11.66039 
1 1 1 -11 17 45 o 44.38633 5.476228 103.0358       23.28837 127.1329       29.60651 63.93000       37.71595 48.86256 6.339499 32.55046 10.44730 16.31210       12.22028 
1 1 1 -11 17 46 o 30.73619 7.379668 52.89438       21.92093 72.91000       34.33990 39.12877       28.47818 34.85389 9.707436 26.46066 9.095922 8.393229       13.30301 
1 1 1 -11 17 47 o 44.12395 5.140317 101.5527       21.78564 87.10287       30.76998 116.0771       30.84927 38.96923 8.319954 46.02806 7.073236 -7.058830      10.92027 
1 1 1 -11 17 48 o 20.51362 7.557130 20.58915       19.98491 39.54886       29.11000 3.686221       27.48574 26.32309 9.188574 18.66520 8.103937 7.657887       12.25168 
1 1 1 -11 17 49 o 28.50093 7.366197 46.25629       20.69773 32.71114       30.05036 58.48207       28.54932 24.69864 9.235013 31.25690 8.902779 -6.558258      12.82751 
1 1 1 -11 17 50 o 42.25112 5.502749 94.58612       22.21729 94.31334       32.26749 94.83202       30.63594 40.22929 8.462981 40.70610 7.974292 -0.4768143     11.62804 
1 1 1 -11 17 51 o 45.37041 5.185150 108.2010       22.61413 119.6191       33.64304 98.78985       30.54358 45.91383 7.762312 41.63140 7.781393 4.282429       10.99107 
1 1 1 -11 17 52 o 33.66380 6.763058 63.11600       21.51069 64.86323       32.06650 61.68649       29.00482 32.42150 9.496754 31.96316 8.928646 0.4583435      13.03492 
1 1 1 -11 17 53 o 47.29737 5.041502 117.2955       22.98078 175.7235       34.01671 68.24020       31.16912 57.08047 6.187154 33.38041 9.230083 23.70006       11.11195 
1 1 1 -11 17 54 o 41.77103 6.487853 95.91343       25.66631 115.5019       33.12140 66.47000       40.60712 44.85903 7.827717 31.79955 10.86366 13.05949       13.39001 
1 1 1 -11 17 55 o 33.00685 7.625407 63.34146       24.14058 119.8000       45.11243 40.68723       28.57631 42.61154 10.80289 26.13328 9.105145 16.47826       14.12820 
1 1 1 -11 17 56 o 19.13143 7.476037 16.44527       20.27289 21.31585       31.51274 13.00619       26.47994 22.06920 9.075374 19.65721 8.221351 2.411997       12.24553 
1 1 1 -11 17 57 o 32.42085 8.226599 63.76355       26.14492 34.35582       32.81248 114.9000       43.26867 24.54878 9.534365 41.29454 10.63905 -16.74577      14.28613 
1 1 1 -11 18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 18 2  o 134.4497 3.420720 886.4645       44.98116 827.1432       65.04380 940.8387       62.27260 129.7050 5.133356 138.4049 4.603032 -8.699814      6.894871 
1 1 1 -11 18 3  o 279.4775 6.389978 3840.785       174.8045 3900.421       217.8607 3733.000       292.8885 281.1743 7.923742 274.0762 10.93952 7.098022       13.50773 
1 1 1 -11 18 4  o 82.30120 3.255211 332.4306       26.17183 287.8052       40.81652 363.5887       34.10596 76.35509 5.498059 86.01395 4.062413 -9.658859      6.836070 
1 1 1 -11 18 5  o 144.8251 4.094960 1029.354       57.99140 976.7735       72.32790 1124.000       97.03838 140.9475 5.251729 151.0209 6.580274 -10.07336      8.419065 
1 1 1 -11 18 6  f 19.38893 6.576479 17.10182       14.87739 -33.45000      36.06432 27.46871       16.33178 18.00386 8.387565 23.38417 6.756780 -5.380316      10.77058 
1 1 1 -11 18 7  o 224.2066 4.609197 2466.541       101.1533 2476.376       145.4023 2457.316       140.8127 224.2493 6.631490 223.4219 6.445613 0.8274689      9.247842 
1 1 1 -11 18 8  o 96.70383 3.177971 458.7419       30.04067 421.3641       45.13313 488.4727       40.25240 92.51183 5.002772 99.71425 4.133052 -7.202415      6.489211 
1 1 1 -11 18 9  o 147.4246 4.081077 1066.718       58.83463 1032.281       73.74947 1127.000       97.57466 144.8934 5.208482 151.1941 6.609163 -6.300690      8.414827 
1 1 1 -11 18 10 o 77.43613 3.597446 294.5841       27.19291 291.1983       38.09909 298.1000       38.82434 76.84208 5.094105 77.74711 5.130360 -0.9050293     7.229834 
1 1 1 -11 18 11 o 92.83891 3.199103 422.8931       29.02786 432.0152       44.29345 416.0258       38.43109 93.68515 4.846649 91.98914 4.279884 1.696014       6.465865 
1 1 1 -11 18 12 o 178.4895 3.937195 1562.473       68.78691 1555.159       99.01908 1569.294       95.62828 177.7777 5.697662 178.6212 5.475962 -0.8435059     7.902501 
1 1 1 -11 18 13 o 75.74451 3.483962 281.8594       25.76120 286.8000       45.16014 279.4762       31.36490 76.10995 6.113259 75.35075 4.270033 0.7592010      7.456884 
1 1 1 -11 18 14 o 43.39485 4.497221 93.41860       18.82584 117.1000       32.89602 81.88560       22.95678 48.21672 7.189536 40.36681 5.991585 7.849915       9.358873 
1 1 1 -11 18 15 o 62.85131 3.482641 194.2862       21.34165 175.9380       32.60055 208.0464       28.23193 59.54539 5.661363 64.94684 4.468183 -5.401447      7.212190 
1 1 1 -11 18 16 o 25.60076 6.478642 33.53872       16.24563 41.82849       23.69605 26.18666       22.31563 28.70044 8.089324 23.84169 8.054634 4.858749       11.41553 
1 1 1 -11 18 17 o 80.25194 4.005454 316.8437       31.36452 295.1150       37.64057 366.2000       56.72978 77.32872 4.999691 85.90005 6.802513 -8.571327      8.442221 
1 1 1 -11 18 18 o 88.36142 3.888898 383.9213       33.55293 381.6761       40.67842 388.7000       59.34623 88.00200 4.739919 88.46870 6.907990 -0.4667053     8.377778 
1 1 1 -11 18 19 o 121.2550 3.877614 722.4370       45.96336 718.0156       55.86609 731.7000       80.86226 120.7655 4.735237 121.5296 6.825052 -0.7641373     8.306852 
1 1 1 -11 18 20 o 130.7446 3.936963 840.1371       50.32643 807.6561       60.27530 914.9000       91.44661 128.0555 4.817371 135.8657 6.898827 -7.810287      8.414326 
1 1 1 -11 18 21 o 96.53348 3.800452 458.3180       35.84016 471.2765       43.89473 432.4000       62.07788 97.78059 4.599094 93.24008 6.849670 4.540504       8.250433 
1 1 1 -11 18 22 o 127.8721 3.907710 804.2080       48.85337 800.4305       59.40555 812.1000       85.86548 127.4176 4.771547 127.8418 6.887251 -0.4241409     8.378657 
1 1 1 -11 18 23 o 68.34593 3.915447 230.3759       26.08430 209.9615       30.58762 284.8000       49.94296 65.10184 4.834562 75.47636 6.834151 -10.37453      8.371297 
1 1 1 -11 18 24 o 156.2106 5.404688 1207.043       82.51497 1169.000       118.3737 1243.000       115.0834 152.7909 7.942276 157.7672 7.473541 -4.976257      10.90567 
1 1 1 -11 18 25 o 98.94086 5.020312 484.7319       48.46083 486.5000       73.93205 483.4000       64.16832 98.34334 7.742770 98.35978 6.705041 -0.1644135E-01 10.24246 
1 1 1 -11 18 26 o 185.8977 4.738844 1708.103       86.15855 1661.792       104.0695 1809.000       153.6121 182.9020 5.820388 189.4058 8.305832 -6.503769      10.14218 
1 1 1 -11 18 27 o 57.14447 4.358018 162.1267       24.19252 168.4680       28.50615 145.8000       45.74026 58.11612 5.061575 52.89166 9.166995 5.224457       10.47155 
1 1 1 -11 18 28 o 77.47414 3.922278 296.7947       29.64736 288.0689       35.22290 318.0000       54.90920 76.14181 4.749675 79.28655 7.152020 -3.144745      8.585500 
1 1 1 -11 18 29 o 102.0950 4.624426 517.3582       46.09349 517.3582       46.09349 0.000000       0.000000 102.0950 4.624426 ?        ?        ?              ?        
1 1 1 -11 18 30 o 22.75812 7.539410 25.24541       19.56461 4.909103       21.93719 104.3000       43.25223 18.08557 7.517123 43.91445 10.24987 -25.82888      12.71090 
1 1 1 -11 18 31 o 47.92861 4.922705 115.4269       22.76639 115.3669       26.41773 115.6000       44.87976 47.68598 5.777454 46.19144 10.19919 1.494541       11.72188 
1 1 1 -11 18 32 o 18.44089 7.304389 10.18262       19.58321 0.7790000      22.38689 40.83000       40.41505 17.36856 7.424465 29.58913 10.77143 -12.22057      13.08229 
1 1 1 -11 18 33 o 79.35975 3.964005 312.8351       30.69471 289.3222       36.32000 371.6000       57.41852 76.01195 4.907781 85.26675 6.939595 -9.254799      8.499664 
1 1 1 -11 18 34 o 103.8483 3.948587 535.5178       40.06411 531.0937       48.68443 544.8000       70.51855 103.0465 4.840230 103.1626 7.025449 -0.1161041     8.531399 
1 1 1 -11 18 35 o 84.62301 4.020789 356.3817       33.20947 365.5802       40.16368 336.5000       59.04770 85.40203 4.824236 80.54498 7.578657 4.857056       8.983835 
1 1 1 -11 18 36 o 46.59449 5.225884 110.3315       23.42396 106.6938       27.00005 121.4000       47.09793 45.46366 6.231042 46.55279 10.57722 -1.089127      12.27613 
1 1 1 -11 18 37 o 39.58652 6.065138 81.31685       22.75381 86.82022       26.06142 63.67000       46.66781 40.65660 6.787942 34.03825 11.64573 6.618359       13.47959 
1 1 1 -11 18 38 o 40.55201 6.121064 85.69635       23.54072 108.0097       27.27748 20.58000       46.59797 45.54408 6.286263 26.38186 10.95980 19.16222       12.63465 
1 1 1 -11 18 39 o 90.33828 4.056547 408.9653       35.77876 426.5412       43.03103 369.6000       64.39910 91.83512 4.803739 83.11736 8.014843 8.717766       9.344175 
1 1 1 -11 18 40 o 56.22743 4.598651 160.5417       25.08868 154.3876       28.78393 180.0000       51.18261 54.73955 5.444170 56.41211 9.613619 -1.672554      11.04811 
1 1 1 -11 18 41 o 26.72564 6.926519 38.93216       18.26655 43.96449       23.75952 31.65843       28.56480 28.12200 8.156853 25.02974 9.063676 3.092260       12.19362 
1 1 1 -11 18 42 o 39.47957 5.108464 80.70176       19.27864 94.44939       25.46950 62.25777       29.50081 42.16127 6.370108 32.95278 8.926776 9.208492       10.96657 
1 1 1 -11 18 43 o 15.98649 6.736562 3.878456       17.98738 -14.80373      21.71010 44.78000       32.12313 14.18802 6.574836 28.25772 9.662160 -14.06969      11.68699 
1 1 1 -11 18 44 o 57.26456 3.873675 165.5530       21.58500 200.5449       30.56373 130.7342       30.48800 62.40884 5.046274 49.53171 6.440777 12.87713       8.182205 
1 1 1 -11 18 45 o 16.21369 6.922733 2.902814       19.42274 5.795000       28.62547 0.4353371      26.44029 19.50429 8.367648 18.01593 7.882930 1.488361       11.49600 
1 1 1 -11 18 46 o 22.35641 7.918040 25.87312       21.67178 15.89185       27.48438 42.28000       35.23759 21.01261 8.538266 27.49736 10.05047 -6.484756      13.18765 
1 1 1 -11 18 47 o 17.15039 7.039121 8.394657       18.91120 13.74385       27.01083 3.251378       26.48585 20.36726 8.391583 18.34719 7.960588 2.020061       11.56675 
1 1 1 -11 18 48 o 28.84435 7.153617 47.01138       20.09806 52.43200       28.68678 41.78566       28.16628 29.60758 9.056197 26.80171 9.049124 2.805866       12.80240 
1 1 1 -11 18 49 o 19.09736 7.346085 15.99172       19.34171 22.20890       27.62033 10.00928       27.09388 22.10480 8.699862 19.59913 8.263835 2.505678       11.99911 
1 1 1 -11 18 50 o 17.66712 7.168361 10.45915       19.33952 21.46429       28.88282 1.514982       26.03825 22.08453 8.830267 17.81539 7.808248 4.269148       11.78738 
1 1 1 -11 18 51 o 33.14092 6.682823 61.09311       20.92942 109.9893       31.54232 22.63135       27.97505 44.06190 7.587202 22.14873 8.743699 21.91318       11.57661 
1 1 1 -11 18 52 f 31.40507 6.951934 55.55539       20.80514 55.84968       30.36326 55.29493       28.56484 30.19327 9.331989 30.20944 8.993220 -0.1617813E-01 12.96009 
1 1 1 -11 18 53 o 16.33363 7.193837 -0.2996864     22.34933 34.79534       29.32889 -48.90000      34.51377 24.86878 9.156049 14.89574 7.266024 9.973041       11.68881 
1 1 1 -11 18 54 o 19.98244 7.696770 18.54475       21.25234 28.07000       39.35703 14.62409       25.25013 24.50194 10.11571 19.88460 8.144441 4.617342       12.98690 
1 1 1 -11 18 55 o 18.74841 7.358253 15.23150       19.71065 22.60383       30.03381 9.653865       26.12358 22.15855 8.953950 19.00819 8.069149 3.150352       12.05340 
1 1 1 -11 18 56 o 18.52308 7.114477 15.98624       18.12242 4.188117       20.12068 66.69000       41.71154 16.28062 7.000449 30.97876 10.98370 -14.69814      13.02489 
1 1 1 -11 19 1  o 173.0939 3.911511 1469.157       66.27240 1348.038       92.81537 1595.135       94.65846 165.5259 5.737263 180.1310 5.374658 -14.60507      7.861497 
1 1 1 -11 19 2  o 81.68314 4.469553 328.3309       35.59956 272.9000       60.02985 358.4000       44.21318 73.87540 8.453642 85.25948 5.324467 -11.38409      9.990696 
1 1 1 -11 19 3  o 96.26895 3.779526 455.0840       35.54553 438.9941       48.53366 473.7000       52.20480 94.39872 5.273520 98.04790 5.461165 -3.649178      7.591728 
1 1 1 -11 19 4  o 199.2301 4.255926 1947.061       82.99564 1877.128       117.4926 2016.712       117.2549 195.2807 6.154424 202.4603 5.923141 -7.179504      8.541694 
1 1 1 -11 19 5  o 48.03907 4.987955 114.5099       23.11334 36.58000       44.72872 142.9000       26.99717 30.55435 11.29695 53.69421 5.201787 -23.13987      12.43703 
1 1 1 -11 19 6  o 150.8419 3.633961 1115.469       53.65478 970.5403       74.39004 1272.613       77.46178 140.4527 5.421189 160.9285 4.923334 -20.47581      7.323149 
1 1 1 -11 19 7  o 44.63568 4.254539 98.61929       18.36377 39.66477       33.90387 123.0961       21.84579 29.32354 9.927996 49.88183 4.523365 -20.55829      10.90990 
1 1 1 -11 19 8  o 171.4224 4.432800 1442.918       74.31689 1424.938       92.83534 1475.000       124.0059 170.1866 5.580453 172.8264 7.347136 -2.639801      9.226151 
1 1 1 -11 19 9  o 95.46205 3.686555 447.4956       34.38275 408.3743       45.88256 497.6000       51.92530 91.03466 5.170398 100.5020 5.297053 -9.467316      7.402147 
1 1 1 -11 19 10 o 53.74399 3.690462 142.2980       19.29624 140.1894       33.55789 143.3397       23.58538 52.95369 6.618410 53.85366 4.515810 -0.8999672     8.012234 
1 1 1 -11 19 11 o 106.6482 3.235851 558.0137       33.74004 575.3916       51.94981 545.3356       44.37237 108.1266 4.921362 105.3280 4.313028 2.798592       6.543853 
1 1 1 -11 19 12 o 43.81868 4.239188 95.10209       17.95546 102.3000       32.09485 91.82294       21.66272 44.92602 7.567087 42.90656 5.268481 2.019466       9.220504 
1 1 1 -11 19 13 o 168.9129 4.315949 1401.377       71.29999 1531.000       129.4963 1344.986       85.41247 175.9254 7.537551 165.3290 5.284748 10.59637       9.205609 
1 1 1 -11 19 14 o 139.2565 3.471605 950.9478       47.32080 933.0301       69.25128 966.6423       64.81247 137.6824 5.147646 140.2050 4.729454 -2.522614      6.990422 
1 1 1 -11 19 15 o 70.60228 3.310580 244.9521       22.81487 252.1105       35.97559 240.1365       29.50751 71.42222 5.181212 69.80045 4.340325 1.621765       6.758948 
1 1 1 -11 19 16 o 68.75415 3.256630 232.3221       21.85432 246.4913       33.84703 222.1915       28.61979 70.64071 4.925939 67.11911 4.380193 3.521599       6.591735 
1 1 1 -11 19 17 o 95.13965 3.210995 444.3923       29.85964 384.6003       43.21312 499.0262       41.30716 88.28927 5.021062 100.7169 4.199240 -12.42758      6.545585 
1 1 1 -11 19 18 o 91.46004 3.831638 411.3692       34.22623 418.8691       42.02734 396.6000       58.97697 92.18440 4.672907 89.33652 6.795442 2.847878       8.247066 
1 1 1 -11 19 19 o 130.5055 3.985130 837.3512       50.84734 814.1681       61.50657 887.4000       90.37174 128.5352 4.897658 133.7498 6.926526 -5.214554      8.483149 
1 1 1 -11 19 20 f 58.71888 4.279686 170.4092       24.42890 171.1573       29.29091 168.7000       44.27530 58.72087 5.148081 57.71370 8.056746 1.007172       9.561061 
1 1 1 -11 19 21 o 126.3268 3.884774 785.0482       47.97900 761.3666       58.01419 836.3000       85.34610 124.2412 4.779397 129.7314 6.744130 -5.490211      8.265950 
1 1 1 -11 19 22 o 70.38702 3.913919 244.3490       26.85945 223.0592       31.82127 297.1000       50.08947 67.09354 4.878745 77.10694 6.703161 -10.01340      8.290628 
1 1 1 -11 19 23 o 171.3796 4.494314 1448.414       75.32754 1480.905       93.41241 1388.000       127.3772 172.9594 5.524737 166.4828 7.838581 6.476654       9.589894 
1 1 1 -11 19 24 o 101.4042 5.023083 509.3469       49.70255 540.6000       77.38344 487.4000       64.84669 103.6644 7.680831 98.71342 6.751935 4.951019       10.22662 
1 1 1 -11 19 25 o 173.1237 4.608796 1481.217       78.03037 1350.000       133.7030 1548.995       96.09247 163.4469 8.385178 176.6534 5.564205 -13.20654      10.06338 
1 1 1 -11 19 26 o 129.3398 3.425391 823.8710       43.32773 854.7322       63.06376 796.2793       59.62968 131.3108 4.915190 126.7680 4.814340 4.542854       6.880187 
1 1 1 -11 19 27 o 136.6371 5.269909 928.2448       70.34982 881.0000       101.7579 971.5000       97.36664 131.8164 7.923225 138.8645 7.187757 -7.048111      10.69773 
1 1 1 -11 19 28 o 107.5339 3.763510 571.2704       39.55255 519.1783       47.53486 688.5000       71.30907 102.2178 4.764044 117.1349 6.241990 -14.91717      7.852296 
1 1 1 -11 19 29 o 80.19839 4.841658 320.6674       37.83019 0.000000       0.000000 320.6674       37.83019 ?        ?        80.19839 4.841658 ?              ?        
1 1 1 -11 19 30 o 73.77559 3.427035 269.1135       24.68023 289.2590       34.62693 248.3122       35.18603 76.16897 4.666802 70.41013 5.140813 5.758835       6.943127 
1 1 1 -11 19 31 o 40.14583 5.194170 81.71497       19.93299 78.39000       27.00054 85.69770       29.55077 38.65630 7.405371 40.34219 7.765260 -1.685890      10.73027 
1 1 1 -11 19 32 o 48.70456 4.242720 118.6203       20.02481 132.8544       26.79753 100.6212       30.13389 51.23450 5.425865 43.91497 7.264030 7.319527       9.066760 
1 1 1 -11 19 33 o 44.27642 4.592726 98.65258       19.61564 122.3491       26.02506 67.48399       29.84754 49.08432 5.511930 35.35053 8.688593 13.73379       10.28946 
1 1 1 -11 19 34 o 76.42082 3.530419 289.6579       26.33717 334.3656       37.45800 245.9464       37.03832 81.71058 4.703259 69.75076 5.468651 11.95982       7.212959 
1 1 1 -11 19 35 o 10.36946 5.036694 -26.88042      16.10629 -26.39073      19.90995 -27.80771      27.39779 12.20475 5.844690 15.07248 7.112818 -2.867731      9.206117 
1 1 1 -11 19 36 o 35.14961 6.466784 64.89228       21.42962 77.03400       24.67765 27.66000       43.21392 38.23169 6.845783 27.09755 10.81229 11.13414       12.79728 
1 1 1 -11 19 37 o 51.32190 4.931707 133.7416       24.46998 143.6081       28.77996 108.0000       46.48647 52.91006 5.644113 43.19629 10.97434 9.713768       12.34067 
1 1 1 -11 19 38 o 20.42193 7.609365 18.15328       20.36662 34.28806       23.04531 -39.40000      43.52473 25.40898 8.167524 18.82257 8.907234 6.586412       12.08500 
1 1 1 -11 19 39 o 32.57389 6.506558 56.82008       20.01919 40.40121       22.16257 129.6000       46.66103 27.12306 7.881139 47.15355 10.39033 -20.03049      13.04114 
1 1 1 -11 19 40 o 40.90319 5.578701 87.17800       21.75404 94.57743       24.69454 61.54000       45.96675 42.37531 6.131651 32.55475 11.53151 9.820553       13.06036 
1 1 1 -11 19 41 o 50.38396 4.851418 130.1441       23.63039 121.4032       26.94071 159.3000       49.20324 48.17026 5.832428 52.36612 9.963171 -4.195858      11.54478 
1 1 1 -11 19 42 o 39.93259 6.534534 85.48331       24.65901 85.48331       24.65901 0.000000       0.000000 39.93259 6.534534 ?        ?        ?              ?        
1 1 1 -11 19 43 o 24.69019 7.628057 33.48853       20.28986 43.52847       22.82818 -4.276000      44.27389 27.81937 7.972991 21.94368 9.864185 5.875685       12.68348 
1 1 1 -11 19 44 o 57.57715 5.261590 171.9672       29.32594 209.1000       36.64214 105.8000       48.91289 63.00344 6.014606 40.62656 11.67927 22.37688       13.13700 
1 1 1 -11 19 45 f 40.91565 5.909693 89.02495       22.98296 80.12701       26.65642 114.8000       45.36874 37.92960 7.445810 42.94022 10.80460 -5.010624      13.12172 
1 1 1 -11 19 46 o 23.86692 7.839409 31.47963       21.16795 17.44283       24.34209 75.02000       42.87161 20.59254 8.147789 34.21060 11.15170 -13.61806      13.81112 
1 1 1 -11 19 47 o 43.96698 6.897315 106.3577       28.70760 106.3577       28.70760 0.000000       0.000000 43.96698 6.897315 ?        ?        ?              ?        
1 1 1 -11 19 48 o 20.33881 7.751733 19.26734       21.40467 5.704265       24.96215 56.94000       41.60217 18.26147 7.823776 30.16827 10.93629 -11.90680      13.44670 
1 1 1 -11 19 49 o 33.02320 7.351231 61.93734       23.15090 62.44552       27.52967 60.71000       42.78308 32.43180 8.551605 30.83621 11.10222 1.595598       14.01389 
1 1 1 -11 19 50 o 34.04441 7.310326 65.78471       23.63282 66.23487       28.43845 64.78000       42.48616 33.29859 8.648785 31.55743 11.09442 1.741158       14.06725 
1 1 1 -11 19 51 o 31.40299 7.658542 56.99160       23.32658 42.07492       27.83035 92.22000       42.76900 26.69193 8.994988 37.36412 10.97398 -10.67218      14.18937 
1 1 1 -11 19 52 o 19.49274 8.149949 11.58155       26.00948 11.58155       26.00948 0.000000       0.000000 19.49274 8.149949 ?        ?        ?              ?        
1 1 1 -11 19 53 o 15.83356 7.211013 -8.115075      24.59660 16.35000       31.13839 -48.71000      40.11056 21.36331 8.923639 16.39517 7.960011 4.968138       11.95797 
1 1 1 -11 19 54 o 23.17453 8.085543 30.28306       22.53897 50.78603       27.01459 -16.68000      40.88540 28.81645 8.783234 19.07992 8.902753 9.736526       12.50617 
1 1 1 -11 19 55 o 29.53931 7.944060 52.26650       23.46558 55.83577       28.30953 44.43000       41.94728 29.87210 8.967204 26.95376 10.68591 2.918341       13.94989 
1 1 1 -11 19 56 o 14.88439 6.803544 -7.803612      22.15430 -8.140587      26.60242 -7.041000      40.01971 16.23114 7.432761 19.58189 9.021816 -3.350754      11.68927 
1 1 1 -11 20 1  o 255.2260 5.143875 3199.617       128.5054 3129.104       181.6323 3270.289       181.8361 251.8123 7.376976 257.4790 7.222062 -5.666656      10.32366 
1 1 1 -11 20 2  o 60.00767 5.030224 178.0741       29.27445 81.39000       54.74111 216.8000       34.64468 40.39291 12.53784 66.20792 5.392552 -25.81501      13.64833 
1 1 1 -11 20 3  o 133.3337 4.853987 874.0500       63.24399 779.5000       93.02871 955.3000       86.23785 125.4770 7.610153 139.1823 6.346760 -13.70535      9.909379 
1 1 1 -11 20 4  o 90.46195 3.876529 402.0759       34.24578 402.6797       49.01431 401.5000       47.86774 90.34276 5.569806 90.22580 5.445430 0.1169586      7.789444 
1 1 1 -11 20 5  o 208.7488 4.413946 2138.548       90.18977 2100.298       128.7745 2175.375       126.3552 206.4682 6.379574 210.1788 6.148438 -3.710617      8.860150 
1 1 1 -11 20 6  o 107.2071 3.332377 563.9424       34.92661 547.3905       54.07350 575.7911       45.75056 105.4183 5.256958 108.2346 4.327136 -2.816238      6.808797 
1 1 1 -11 20 7  o 104.0181 3.774499 531.3365       38.36663 481.5622       50.22181 601.1000       59.45708 98.86227 5.208230 110.4417 5.517495 -11.57938      7.587385 
1 1 1 -11 20 8  o 231.7842 5.501370 2641.323       124.8133 2596.436       153.4724 2729.000       214.4936 229.4219 6.841869 234.4113 9.367096 -4.989441      11.59973 
1 1 1 -11 20 9  o 142.0771 3.518845 989.8307       48.93621 981.7261       72.02790 996.7791       66.69218 141.2361 5.219109 142.3781 4.792310 -1.141968      7.085572 
1 1 1 -11 20 10 o 59.23260 3.489769 172.6363       20.14351 189.7835       34.80827 164.0024       24.69956 61.83697 5.819202 57.63169 4.412008 4.205276       7.302666 
1 1 1 -11 20 11 o 77.33690 3.485667 293.8867       26.31850 338.8000       49.18591 275.8686       31.15353 82.72964 6.117254 74.84685 4.270052 7.882790       7.460171 
1 1 1 -11 20 12 o 100.3198 3.482124 494.1479       34.14116 530.6000       61.55759 477.9536       41.02999 103.6225 6.095987 98.57999 4.262199 5.042519       7.438239 
1 1 1 -11 20 13 o 14.23682 5.890541 2.607683       13.38520 -22.64828      26.30624 11.43074       15.54843 15.58115 7.226304 17.68700 6.636767 -2.105845      9.811531 
1 1 1 -11 20 14 o 107.4833 3.230665 567.0258       33.95047 569.8400       52.47259 564.9994       44.52646 107.5363 4.998746 107.1786 4.252723 0.3577347      6.563011 
1 1 1 -11 20 15 o 151.4110 3.598842 1124.891       53.33674 1119.972       78.19036 1129.172       72.94193 150.7602 5.306866 151.4497 4.926983 -0.6894379     7.241407 
1 1 1 -11 20 16 o 63.52773 3.359155 198.5384       20.81389 210.7822       33.49358 190.8355       26.56628 65.22243 5.291780 62.16363 4.394366 3.058807       6.878473 
1 1 1 -11 20 17 o 32.88546 5.005964 54.42360       15.60605 44.10517       24.66519 61.31198       20.15285 29.38087 8.243211 34.74129 6.151401 -5.360422      10.28544 
1 1 1 -11 20 18 o 46.01480 5.130654 105.5695       22.71608 104.8348       27.11322 107.3000       41.60899 45.65437 6.229592 45.48103 9.645951 0.1733437      11.48269 
1 1 1 -11 20 19 o 84.96603 3.826413 355.4423       31.74150 357.8645       38.74693 350.5000       55.34631 85.13217 4.667693 83.83289 6.803199 1.299278       8.250507 
1 1 1 -11 20 20 o 70.90054 3.992445 247.9620       27.59539 232.4219       33.25858 282.3000       49.43850 68.48083 4.996047 75.13943 6.795261 -6.658600      8.434219 
1 1 1 -11 20 21 o 75.05140 3.928548 277.8202       28.75956 268.0647       34.68087 299.3000       51.46127 73.56931 4.842940 77.31224 6.871789 -3.742935      8.406876 
1 1 1 -11 20 22 o 128.3548 3.958763 811.6860       49.67735 807.5296       60.84051 820.0000       86.04816 127.8079 4.872197 128.1586 6.884695 -0.3506927     8.434295 
1 1 1 -11 20 23 o 38.11720 5.799869 73.64814       20.95798 68.14232       24.51270 88.61000       40.40850 36.33932 7.146191 40.92136 10.14029 -4.582039      12.40539 
1 1 1 -11 20 24 o 106.3793 3.962361 558.5040       41.18678 417.5000       75.17118 618.9923       49.23471 90.51121 8.587558 111.8652 4.505673 -21.35399      9.697795 
1 1 1 -11 20 25 o 104.0863 5.094749 538.2825       51.74892 441.3000       74.89117 626.9000       71.58853 93.04607 8.310311 111.8069 6.570326 -18.76088      10.59389 
1 1 1 -11 20 26 o 97.45705 3.294315 468.0850       31.38050 399.5633       42.68146 548.7040       46.29605 89.65307 4.882135 105.2161 4.505701 -15.56301      6.643537 
1 1 1 -11 20 27 o 131.2615 5.120578 857.7646       65.66422 719.5000       94.19077 988.5000       91.59028 118.6507 8.159892 140.0942 6.698585 -21.44351      10.55722 
1 1 1 -11 20 28 o 106.5071 3.853791 561.3509       40.11034 502.5812       47.26494 712.6000       75.82433 100.4556 4.820901 118.8272 6.544356 -18.37156      8.128325 
1 1 1 -11 20 29 o 129.4383 4.849088 834.7252       61.32826 0.000000       0.000000 834.7252       61.32826 ?        ?        129.4383 4.849088 ?              ?        
1 1 1 -11 20 30 o 31.53752 8.510468 53.11906       26.87542 0.000000       0.000000 53.11906       26.87542 ?        ?        31.53752 8.510468 ?              ?        
1 1 1 -11 20 31 o 105.0272 4.042822 547.7955       41.48402 466.2000       80.00681 577.7987       48.51513 94.37414 8.761024 107.6344 4.615622 -13.26028      9.902499 
1 1 1 -11 20 32 o 37.28562 7.176284 73.15396       25.24023 78.21000       58.13370 71.97945       28.01892 37.80248 12.99581 36.70656 8.022830 1.095917       15.27275 
1 1 1 -11 20 33 o 24.79878 8.419345 30.51094       24.38403 50.30000       57.12755 26.10244       26.96366 32.92814 12.63558 24.06625 8.792435 8.861889       15.39366 
1 1 1 -11 20 34 o 15.42218 7.067967 -14.62262      24.11978 -82.91000      54.27940 2.178938       26.92400 18.87296 9.185067 19.02579 8.137731 -0.1528339     12.27143 
1 1 1 -11 20 35 o 40.17188 6.987056 85.10144       26.47698 48.21000       56.82398 95.33193       29.92383 32.19303 12.53467 42.36074 7.490816 -10.16771      14.60240 
1 1 1 -11 20 36 o 42.55819 8.781428 99.53921       35.36690 112.7000       57.95524 91.73000       44.64319 43.15574 12.80065 39.76543 11.06572 3.390308       16.92060 
1 1 1 -11 20 37 o 15.43977 7.091881 -14.44734      24.46862 -7.218000      53.85911 -16.32750      27.46676 24.23719 10.88871 16.27425 7.489286 7.962942       13.21565 
1 1 1 -11 20 38 o 75.10809 4.417216 284.9459       32.33106 296.1000       64.82137 281.2521       37.30220 72.90301 9.294866 74.19627 5.168567 -1.293259      10.63525 
1 1 1 -11 20 39 o 19.02906 7.835584 9.443730       23.53170 -46.51000      51.80199 23.99216       26.41436 20.10818 9.573606 22.91063 8.638841 -2.802456      12.89510 
1 1 1 -11 20 40 o 20.68968 7.976934 17.88043       22.84351 27.69000       52.00945 15.53572       25.42743 27.41884 11.49843 20.73447 8.286999 6.684368       14.17350 
1 1 1 -11 20 41 o 36.07987 8.251932 73.48711       28.50778 81.32000       54.19086 70.49000       33.52098 35.80876 12.53431 34.64733 9.568725 1.161427       15.76926 
1 1 1 -11 20 42 o 21.31257 7.855099 21.62673       21.59615 57.29000       50.10761 13.49071       23.93311 31.42512 11.88744 19.84631 8.002456 11.57881       14.33006 
1 1 1 -11 20 43 o 24.02571 8.561566 30.33045       25.37269 0.000000       0.000000 30.33045       25.37269 ?        ?        24.02571 8.561566 ?              ?        
1 1 1 -11 20 44 o 24.18626 8.024297 32.11605       22.15990 75.39000       48.12732 20.47327       24.96358 34.22430 11.82212 21.48097 8.323565 12.74334       14.45836 
1 1 1 -11 20 45 o 16.28903 7.103132 0.3600059      21.31013 -8.930000      48.12032 2.626414       23.76783 21.89092 10.01404 17.48227 7.563290 4.408646       12.54928 
1 1 1 -11 20 46 o 45.78236 5.717997 111.4458       25.06695 109.0000       55.25381 112.0796       28.12813 39.36447 12.64616 45.39806 6.516463 -6.033585      14.22637 
1 1 1 -11 20 47 o 26.63826 7.999089 41.07219       22.52404 27.21000       53.58125 44.04760       24.82393 26.32923 11.37324 27.40980 8.431985 -1.080570      14.15800 
1 1 1 -11 20 48 o 16.36594 7.443786 -8.486580      26.10329 8.822000       52.96294 -14.04000      30.00003 24.22265 10.84648 16.84817 7.779804 7.374479       13.34809 
1 1 1 -11 20 49 o 29.60678 7.667459 50.68048       22.39488 97.01000       53.51428 40.84422       24.65788 36.90934 12.47314 26.43122 8.443647 10.47812       15.06235 
1 1 1 -11 20 50 o 19.68511 7.662984 17.10293       21.23393 -17.02000      48.95760 25.00920       23.56584 20.92650 9.756954 22.04123 8.190523 -1.114725      12.73903 
1 1 1 -11 20 51 f 30.18275 11.64147 58.59000       48.66601 58.59000       48.66601 0.000000       0.000000 30.18275 11.64147 ?        ?        ?              ?        
1 1 1 -11 20 52 o 25.57318 7.649382 37.91289       20.62785 19.84000       23.71548 94.08000       41.80798 20.71939 8.089005 37.67672 10.78722 -16.95733      13.48318 
1 1 1 -11 20 53 f 20.91482 7.414847 23.33255       19.00885 19.89340       21.43450 36.00000       41.13694 20.29596 7.751850 25.82091 10.46276 -5.524944      13.02154 
1 1 1 -11 20 54 o 27.36483 5.893857 41.46173       15.32010 39.94453       16.48888 51.04000       41.42975 26.59558 6.409780 28.19491 10.77511 -1.599333      12.53748 
1 1 1 -11 20 55 o 15.01049 6.072787 7.460560       13.83378 4.717546       14.71119 28.42000       40.66527 14.58424 6.115667 24.08844 10.13859 -9.504204      11.84028 
1 1 1 -11 21 1  o 191.6503 4.844867 1805.357       90.81326 1760.000       160.8676 1826.572       110.0209 188.3128 8.751285 192.5866 5.843131 -4.273758      10.52270 
1 1 1 -11 21 2  o 180.9206 5.795520 1612.033       102.5005 1497.000       144.6655 1728.000       145.2516 173.7004 8.534727 186.8112 7.961756 -13.11081      11.67181 
1 1 1 -11 21 3  o 124.7354 4.611861 765.0609       56.21131 840.2000       88.57838 714.4000       72.73290 130.3449 6.968008 120.2979 6.197739 10.04702       9.325508 
1 1 1 -11 21 4  o 61.85448 3.708953 188.3272       22.35266 122.3583       37.20715 225.5823       27.96083 49.13721 8.011673 67.66292 4.243117 -18.52571      9.065923 
1 1 1 -11 21 5  o 158.4958 5.149771 1235.962       79.78756 1119.000       111.4348 1359.000       114.2927 150.3286 7.597724 165.8302 7.057373 -15.50159      10.36976 
1 1 1 -11 21 6  o 210.7162 5.165176 2182.448       106.5343 2070.330       128.9088 2424.000       189.2134 204.8903 6.435671 221.0133 8.763735 -16.12300      10.87294 
1 1 1 -11 21 7  o 144.1771 3.602049 1019.511       50.83374 1049.601       76.14709 995.3217       68.27496 146.0080 5.337058 142.2431 4.911069 3.764908       7.252778 
1 1 1 -11 21 8  o 44.00063 4.041047 95.80692       17.21019 45.63486       32.83736 114.8076       20.20796 30.57141 9.741538 48.16513 4.332561 -17.59372      10.66155 
1 1 1 -11 21 9  o 62.32822 3.651578 191.2193       22.18018 193.8000       42.70106 190.2657       25.95650 62.25506 7.136260 62.10382 4.296421 0.1512337      8.329792 
1 1 1 -11 21 10 o 300.0644 6.782385 4443.602       199.2063 4730.000       361.7372 4318.943       238.6541 306.6080 12.07685 295.1173 8.269826 11.49069       14.63695 
1 1 1 -11 21 11 o 50.41870 3.746815 125.4251       18.35882 123.0210       33.43175 126.4631       21.96745 49.40835 7.117848 50.53984 4.487171 -1.131493      8.414183 
1 1 1 -11 21 12 o 109.2081 3.263433 585.4420       34.84561 604.5768       54.91920 572.5480       45.08237 110.7477 5.079740 107.8815 4.277750 2.866188       6.641002 
1 1 1 -11 21 13 f 142.2325 3.512068 992.6264       48.89541 988.4351       72.81087 996.0691       65.98853 141.6109 5.261981 142.2509 4.745866 -0.6400299     7.086020 
1 1 1 -11 21 14 o 63.91892 3.340348 200.9896       20.82656 191.5804       34.86860 206.2080       25.96739 62.07148 5.806384 64.65972 4.124376 -2.588238      7.122118 
1 1 1 -11 21 15 o 47.00584 3.771161 109.1895       17.20588 84.41656       29.14566 122.4411       21.31673 40.62136 7.609720 49.70971 4.427275 -9.088348      8.803897 
1 1 1 -11 21 16 o 63.31536 3.328424 197.2869       20.55540 214.7593       33.88710 187.1155       25.85523 65.79948 5.306426 61.53795 4.319831 4.261524       6.842448 
1 1 1 -11 21 17 o 21.36020 6.490248 22.70507       14.76617 10.71906       25.43000 28.80202       18.13699 20.68409 8.280472 23.95672 7.174284 -3.272623      10.95612 
1 1 1 -11 21 18 o 74.54175 3.222867 273.2878       23.45961 258.6822       35.74416 284.3400       31.09364 72.24904 5.086882 75.90836 4.201196 -3.659317      6.597456 
1 1 1 -11 21 19 o 70.06746 4.078982 242.3786       27.85431 252.5642       34.31396 222.7000       47.69520 71.38737 4.941187 66.46407 7.459920 4.923294       8.947946 
1 1 1 -11 21 20 o 36.61843 6.287065 68.35746       21.72338 47.26139       25.79590 119.8000       40.28202 30.23884 8.410407 48.09287 8.884245 -17.85403      12.23376 
1 1 1 -11 21 21 o 168.7285 4.496742 1405.459       74.20023 1455.303       92.97037 1318.000       123.1505 171.3109 5.551717 161.9950 7.789381 9.315872       9.565355 
1 1 1 -11 21 22 o 62.80635 4.273211 195.4614       26.11378 194.6441       31.38595 197.3000       47.07362 62.49530 5.177174 62.19718 7.910913 0.2981262      9.454400 
1 1 1 -11 21 23 o 10.71445 5.155662 -23.68723      15.91773 -25.05457      20.97219 -21.82919      24.44746 12.95152 6.144766 14.81448 6.903077 -1.862960      9.241786 
1 1 1 -11 21 24 o 136.4688 4.099996 920.2088       54.70539 860.7000       99.30259 946.1381       65.54889 130.3546 7.818594 138.1169 4.856109 -7.762375      9.203924 
1 1 1 -11 21 25 o 94.11720 3.724107 437.6138       34.24042 404.4636       42.17656 501.7000       58.64224 90.19724 4.794404 100.0524 6.015718 -9.855141      7.692541 
1 1 1 -11 21 26 o 79.37304 5.125810 314.6706       39.61077 269.0000       65.26817 341.3000       49.83842 71.59068 9.552211 82.28873 6.233911 -10.69806      11.40642 
1 1 1 -11 21 27 o 171.4369 4.593421 1460.051       77.01143 1330.000       133.9517 1524.260       94.12183 160.7134 8.545825 174.6008 5.514205 -13.88733      10.17043 
1 1 1 -11 21 28 o 183.5909 5.784757 1691.251       103.8245 0.000000       0.000000 1691.251       103.8245 ?        ?        183.5909 5.784757 ?              ?        
1 1 1 -11 21 29 o 109.4131 4.648736 596.7902       49.67293 0.000000       0.000000 596.7902       49.67293 ?        ?        109.4131 4.648736 ?              ?        
1 1 1 -11 21 30 o 42.67220 6.072487 93.48658       24.64898 113.5000       58.61197 89.18655       27.16824 44.48206 12.78404 41.37018 6.955716 3.111877       14.55382 
1 1 1 -11 21 31 o 34.33041 7.467257 62.58476       24.37680 80.49000       57.61581 58.68075       26.90339 38.15051 12.94197 33.02157 8.326503 5.128944       15.38913 
1 1 1 -11 21 32 o 46.13813 5.847986 109.0316       25.81783 59.16000       59.04293 120.8218       28.70788 34.46269 12.93265 48.47851 6.190943 -14.01582      14.33811 
1 1 1 -11 21 33 o 18.12196 6.973341 11.98637       17.43300 14.32654       22.89824 8.759786       26.88741 20.27723 7.939055 20.20975 8.354018 0.6748390E-01  11.52468 
1 1 1 -11 21 34 o 21.17184 7.067867 22.23751       17.18656 32.10162       22.12047 7.213919       27.29935 24.87464 8.002544 19.97771 8.350931 4.896921       11.56628 
1 1 1 -11 21 35 o 15.42770 6.643467 0.6310382E-01  18.17188 2.712283       20.51305 -9.596000      39.16905 16.85918 7.153339 20.73032 9.301701 -3.871134      11.73422 
1 1 1 -11 21 36 o 24.16749 8.414930 29.44318       24.40602 9.633000       51.09256 35.29985       27.78043 25.55030 11.07133 26.07529 8.983012 -0.5249882     14.25724 
1 1 1 -11 21 37 o 72.08057 3.414848 259.2242       24.02477 259.0041       32.64397 259.4841       35.48598 71.45019 4.693588 71.27955 5.120222 0.1706390      6.945965 
1 1 1 -11 21 38 o 53.79087 3.852063 145.5733       20.14761 165.5908       27.28939 121.5887       29.87141 56.89998 4.948948 47.92050 6.538755 8.979485       8.200452 
1 1 1 -11 21 39 o 12.76864 5.803405 -7.804976      15.83049 -10.26801      19.19082 -2.560000      28.00465 13.84478 6.329797 18.16870 8.025257 -4.323923      10.22111 
1 1 1 -11 21 40 o 44.97921 4.574771 103.5392       19.86132 107.3412       24.90043 96.89000       32.92945 45.25282 5.751282 41.48043 8.398685 3.772385       10.17915 
1 1 1 -11 21 41 o 45.68546 4.018525 105.8471       17.78717 114.7657       24.42036 95.76858       25.95989 46.94312 5.413686 42.29459 6.476505 4.648537       8.441155 
1 1 1 -11 21 42 o 11.88729 5.451245 -8.542434      14.37691 -23.42000      18.41797 14.66149       23.00152 11.68045 5.600995 19.80640 7.893187 -8.125944      9.678510 
1 1 1 -11 21 43 o 47.59081 3.900093 114.9222       18.00865 132.2706       24.03455 92.71434       27.19309 50.56894 4.917667 41.13133 7.005114 9.437603       8.558918 
1 1 1 -11 21 44 o 18.72839 6.386239 17.83051       14.03145 21.25333       17.86426 12.31814       22.67059 20.44267 7.193461 19.10088 7.757114 1.341789       10.57916 
1 1 1 -11 21 45 o 62.53450 3.399710 196.9154       20.73153 234.9005       29.55789 160.1348       29.08545 67.62690 4.490709 55.16018 5.458457 12.46672       7.068325 
1 1 1 -11 21 46 o 45.00507 3.970126 103.4822       17.31014 107.6032       23.25749 98.36417       25.91863 45.14066 5.368727 42.48333 6.434047 2.657333       8.379749 
1 1 1 -11 21 47 o 13.74095 5.775307 3.067754       13.16611 7.652905       17.42053 -3.040220      20.10634 16.44279 6.753144 15.17119 6.745336 1.271598       9.544868 
1 1 1 -11 21 48 o 11.38722 5.236750 -8.098527      13.39738 -13.62466      17.28860 0.2083154      21.19664 12.32987 5.764987 16.08700 7.048017 -3.757133      9.105472 
1 1 1 -11 21 49 o 42.93640 5.667459 98.62012       23.23773 98.62012       23.23773 0.000000       0.000000 42.93640 5.667459 ?        ?        ?              ?        
1 1 1 -11 21 50 o 17.21365 6.199781 14.31628       13.34291 14.31628       13.34291 0.000000       0.000000 17.21365 6.199781 ?        ?        ?              ?        
1 1 1 -11 21 51 o 28.13337 10.78228 48.58000       41.56334 0.000000       0.000000 48.58000       41.56334 ?        ?        28.13337 10.78228 ?              ?        
1 1 1 -11 21 52 o 23.80244 9.237098 29.76214       30.77935 7.859000       46.35027 47.04000       41.16650 22.73074 10.16492 27.80006 10.71105 -5.069313      14.76659 
1 1 1 -11 21 53 o 38.01183 8.874000 88.54960       32.41437 62.15000       48.10770 110.5000       43.86692 30.16481 11.59012 40.50963 10.84725 -10.34481      15.87431 
1 1 1 -11 21 54 o 17.19104 7.859202 -7.231197      29.57879 -7.157000      44.48422 -7.290000      39.60166 20.44529 9.452381 19.50055 8.980808 0.9447403      13.03850 
1 1 1 -11 21 55 o 18.80605 8.317959 4.495680       30.18222 -0.2311000     45.04130 8.348000       40.66206 21.03096 9.645945 21.26303 9.513790 -0.2320709     13.54830 
1 1 1 -11 22 1  o 182.3390 4.034410 1631.862       72.00552 1521.000       146.7472 1667.018       82.63754 174.9476 8.595821 184.2159 4.582939 -9.268280      9.741226 
1 1 1 -11 22 2  o 119.9960 3.990778 707.4778       46.80863 653.3000       89.25910 728.0290       54.97429 114.6155 8.006500 121.6473 4.625330 -7.031837      9.246498 
1 1 1 -11 22 3  o 112.3969 3.807662 620.5944       41.83033 522.2000       83.89314 653.1509       48.25701 102.3059 8.452963 115.2543 4.285030 -12.94838      9.477029 
1 1 1 -11 22 4  o 137.6060 5.170765 932.5305       69.52247 984.8000       108.1334 895.7000       90.76952 140.8465 7.874819 134.5252 6.916570 6.321320       10.48102 
1 1 1 -11 22 5  o 88.83264 4.624810 388.7765       40.07509 272.6000       71.63445 441.7000       48.34897 73.25024 10.27294 94.61692 5.240977 -21.36668      11.53261 
1 1 1 -11 22 6  o 214.9616 4.543031 2270.347       95.59009 2077.474       131.6702 2485.281       138.9967 205.0913 6.567415 224.4077 6.334252 -19.31639      9.124346 
1 1 1 -11 22 7  f 95.18665 3.549286 445.1253       33.01125 389.7000       60.61781 468.4926       39.35960 88.53669 7.052987 97.59218 4.129641 -9.055489      8.173038 
1 1 1 -11 22 8  o 57.27993 4.165998 161.9708       23.19790 166.3000       43.05528 160.2000       27.53663 57.42762 7.865972 56.85612 4.998814 0.5715065      9.319960 
1 1 1 -11 22 9  o 96.36064 4.109878 456.8325       38.67553 474.4000       62.80285 446.1000       49.08789 97.80219 6.598944 95.05450 5.296835 2.747688       8.461827 
1 1 1 -11 22 10 o 58.24398 3.632769 167.1346       20.60760 144.7960       37.10527 177.0982       24.78079 53.62367 7.255192 59.89013 4.254918 -6.266453      8.410834 
1 1 1 -11 22 11 o 137.2834 3.476456 925.4540       46.67793 960.8035       71.02378 898.5760       61.93148 139.5974 5.206934 135.0894 4.690762 4.507965       7.008238 
1 1 1 -11 22 12 o 216.5734 4.525196 2306.567       95.92876 2301.411       138.1585 2311.367       133.2994 215.6709 6.552152 216.2239 6.304960 -0.5530548     9.093031 
1 1 1 -11 22 13 o 27.68907 5.296022 39.02948       13.83085 69.52676       28.37307 29.52398       15.84030 36.69520 8.114980 24.04584 6.552679 12.64936       10.43027 
1 1 1 -11 22 14 o 81.67770 3.139220 327.8370       25.05083 345.1751       40.54461 317.1313       31.85957 83.56009 4.979690 80.21848 4.070815 3.341614       6.431861 
1 1 1 -11 22 15 o 74.73260 3.170547 274.6098       23.13996 298.9497       38.14741 260.4399       29.10641 77.71404 5.042084 72.65878 4.109304 5.055260       6.504537 
1 1 1 -11 22 16 f 83.53599 3.135898 343.0284       25.59588 347.0824       40.45824 340.3230       33.05089 83.75610 4.957139 83.07990 4.076704 0.6762009      6.418157 
1 1 1 -11 22 17 o 96.32632 3.151401 456.0899       29.67358 466.1220       45.75689 448.8085       38.98212 97.10020 4.829423 95.39563 4.184936 1.704567       6.390385 
1 1 1 -11 22 18 o 94.53394 3.151917 439.4276       29.12467 480.0280       45.98946 412.2414       37.63293 98.51612 4.783490 91.38850 4.218356 7.127617       6.377798 
1 1 1 -11 22 19 o 102.5541 3.895018 518.5440       39.02820 509.9865       48.16790 534.9000       66.59195 101.4949 4.862645 103.4561 6.610545 -1.961273      8.206377 
1 1 1 -11 22 20 o 99.21345 5.064377 488.2805       49.01891 448.9000       74.39167 518.5000       65.16702 94.11269 8.155940 101.7860 6.576035 -7.673294      10.47681 
1 1 1 -11 22 21 o 47.27893 5.212624 112.0721       23.72303 107.9812       28.96959 120.4000       41.33333 46.06442 6.614437 47.95455 9.139263 -1.890125      11.28171 
1 1 1 -11 22 22 o 119.3373 3.955110 703.2969       46.13606 653.2757       55.45203 815.8000       83.16158 114.7177 4.949986 127.5012 6.686872 -12.78347      8.319652 
1 1 1 -11 22 23 o 109.5941 3.350144 591.9865       35.89605 536.2157       50.64653 648.2809       50.88366 103.8486 4.997116 114.3554 4.554967 -10.50682      6.761574 
1 1 1 -11 22 24 o 70.28613 4.043702 244.9422       27.70243 268.2659       36.46293 213.1000       42.60442 73.29053 5.114837 64.75602 6.824005 8.534508       8.528107 
1 1 1 -11 22 25 o 99.05623 5.372147 490.7534       51.89286 514.8000       76.95438 470.7000       70.27480 100.2313 7.907766 96.01570 7.537803 4.215607       10.92480 
1 1 1 -11 22 26 o 76.83456 4.149876 293.2364       31.09447 213.1000       63.15917 318.8736       35.72374 62.86804 10.64297 80.00604 4.580860 -17.13800      11.58694 
1 1 1 -11 22 27 o 90.75784 4.569024 410.4086       40.45895 0.000000       0.000000 410.4086       40.45895 ?        ?        90.75784 4.569024 ?              ?        
1 1 1 -11 22 28 o 44.31242 5.835035 100.2657       24.69458 181.0000       62.68819 85.43630       26.86700 57.00627 11.62897 40.46723 7.038230 16.53904       13.59300 
1 1 1 -11 22 29 o 38.07911 6.733677 75.63254       24.18041 56.31000       58.55481 79.60506       26.54993 34.19010 12.86870 38.92082 7.235326 -4.730721      14.76324 
1 1 1 -11 22 30 o 74.31281 3.466545 273.7379       25.14596 258.1490       36.50489 287.8138       34.68814 71.57704 5.246854 75.80820 4.697835 -4.231155      7.042665 
1 1 1 -11 22 31 o 38.91962 5.007162 77.05332       18.63363 68.12001       26.29783 86.06052       26.40637 35.68222 7.751626 40.53197 6.903040 -4.849743      10.37977 
1 1 1 -11 22 32 o 50.73574 4.161248 129.0045       20.48397 124.4528       28.72401 133.7146       29.21977 49.17634 6.097933 51.05052 5.959473 -1.874180      8.526436 
1 1 1 -11 22 33 f 49.84111 4.214223 124.7894       20.36695 133.9373       27.96214 114.4516       29.72507 51.12880 5.683170 46.82190 6.674612 4.306900       8.766349 
1 1 1 -11 22 34 o 60.33813 4.390059 183.2612       25.75059 214.6980       31.04937 114.0000       46.08695 65.11407 4.907725 44.48251 10.71318 20.63155       11.78380 
1 1 1 -11 22 35 o 51.06664 3.989398 131.1067       19.78303 119.6575       26.08606 146.6053       30.35056 48.13747 5.643310 53.20353 5.928613 -5.066059      8.185072 
1 1 1 -11 22 36 f 11.75130 5.413205 -9.831508      14.39942 -20.29514      18.04615 8.504900       23.88914 11.97491 5.686800 18.97310 7.861570 -6.998186      9.702782 
1 1 1 -11 22 37 o 49.70517 3.897662 124.5041       18.81164 145.7104       25.78577 100.3762       27.50471 53.31980 4.998959 43.38777 6.691272 9.932030       8.352407 
1 1 1 -11 22 38 o 33.93135 5.389046 60.30003       17.30088 76.01102       21.44724 31.03000       29.27394 37.91720 5.976348 24.86096 9.148444 13.05624       10.92752 
1 1 1 -11 22 39 o 31.76084 5.294291 52.95498       15.88003 86.91005       21.14471 9.026867       24.05031 40.80212 5.428952 18.97669 7.877754 21.82542       9.567264 
1 1 1 -11 22 40 o 41.31413 4.053246 86.76329       16.18035 113.2554       22.39388 57.82601       23.40452 46.84731 4.958771 32.18743 7.558426 14.65987       9.039868 
1 1 1 -11 22 41 o 19.40759 6.348214 19.55290       13.88703 27.60000       18.73121 9.731396       20.69356 22.64839 7.370417 18.09009 7.386954 4.558296       10.43504 
1 1 1 -11 22 42 o 17.37170 6.009102 14.84490       12.43600 10.60385       15.88652 21.55640       19.98488 16.86844 6.610290 20.89768 7.579279 -4.029238      10.05691 
1 1 1 -11 22 43 o 30.69946 4.692553 49.17245       13.65384 72.48695       18.15299 18.79968       20.71940 37.19316 5.122179 20.23063 7.646042 16.96253       9.203188 
1 1 1 -11 22 44 o 13.03498 5.473463 2.567007       11.80859 0.9115936      14.90229 5.360417       19.35830 13.96456 6.014825 16.57631 6.987027 -2.611753      9.219364 
1 1 1 -11 22 45 o 16.10059 5.886069 11.88427       12.08695 18.25731       15.90038 3.160529       18.60312 19.07613 6.779682 15.82338 6.766083 3.252755       9.578307 
1 1 1 -11 22 46 o 21.24127 8.913151 14.61116       31.28023 27.70000       49.89900 6.138000       40.14800 25.91990 11.08227 21.72222 9.601272 4.197674       14.66292 
1 1 1 -11 22 47 o 19.17157 6.211903 19.58405       13.31359 18.16831       14.12888 30.80000       39.76796 18.73560 6.407907 25.14474 10.25066 -6.409142      12.08873 
1 1 1 -11 22 48 o 23.62037 9.331120 27.59775       31.88017 48.99000       51.95622 14.68000       40.37409 28.78062 11.72275 22.76543 9.853213 6.015194       15.31368 
1 1 1 -11 22 49 o 21.59155 9.964068 -9.141000      49.10292 -9.141000      49.10292 0.000000       0.000000 21.59155 9.964068 ?        ?        ?              ?        
1 1 1 -11 22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 22 51 o 19.58276 8.525763 6.467778       30.59676 -20.64000      45.90927 28.13000       41.03977 19.84428 9.315559 24.62711 10.26255 -4.782837      13.86000 
1 1 1 -11 22 52 o 25.22564 9.428815 37.05481       31.31938 8.784000       46.76935 60.04000       42.17124 22.70282 10.17722 29.96753 10.98822 -7.264708      14.97721 
1 1 1 -11 22 53 o 22.71694 9.048609 26.31029       30.21372 6.656000       45.26770 42.10000       40.57391 22.02957 9.932290 26.39694 10.49519 -4.367369      14.44989 
1 1 1 -11 22 54 o 18.23346 8.155757 0.5426012      29.85753 -5.902000      44.99009 5.615000       39.91403 20.56564 9.507298 20.91008 9.385464 -0.3444443     13.35948 
1 1 1 -11 23 1  o 129.5652 3.381938 824.1070       42.85376 877.8000       96.71253 810.9893       47.80278 132.9512 7.461575 128.4768 3.805407 4.474380       8.375931 
1 1 1 -11 23 2  o 120.1474 3.293286 708.6245       38.69371 849.9000       92.91795 678.9857       42.55946 130.8568 7.283059 117.5587 3.703199 13.29807       8.170472 
1 1 1 -11 23 3  o 109.0833 4.355424 585.6190       46.41102 0.000000       0.000000 585.6190       46.41102 ?        ?        109.0833 4.355424 ?              ?        
1 1 1 -11 23 4  o 195.9720 4.876787 1889.176       93.54789 2023.000       173.8613 1834.646       110.9826 201.4468 8.838832 192.8118 5.887406 8.634979       10.62010 
1 1 1 -11 23 5  o 125.3003 3.355600 770.8221       41.11852 719.6000       91.28786 783.8594       46.05501 120.2198 7.799763 126.3096 3.729153 -6.089767      8.645397 
1 1 1 -11 23 6  o 91.32325 3.148983 409.5529       28.10656 440.6000       72.76727 404.1087       30.47135 93.89086 7.993777 90.68386 3.439088 3.207001       8.702171 
1 1 1 -11 23 7  o 130.7920 3.789044 840.6713       48.45729 0.000000       0.000000 840.6713       48.45729 ?        ?        130.7920 3.789044 ?              ?        
1 1 1 -11 23 8  o 46.08802 4.111391 105.1917       18.35287 0.000000       0.000000 105.1917       18.35287 ?        ?        46.08802 4.111391 ?              ?        
1 1 1 -11 23 9  o 174.6608 4.546219 1501.611       77.65738 1450.613       96.37972 1596.000       131.1195 171.3719 5.753819 179.2013 7.491674 -7.829453      9.446249 
1 1 1 -11 23 10 o 144.1285 3.574243 1020.012       50.42434 1004.660       73.59694 1033.594       69.22525 142.6677 5.279314 144.7966 4.891295 -2.128876      7.196939 
1 1 1 -11 23 11 o 62.00771 3.355682 189.3019       20.29138 227.0261       35.98127 171.7095       24.57138 67.61533 5.483593 58.93131 4.289042 8.684025       6.961730 
1 1 1 -11 23 12 o 129.5862 3.397236 825.1409       43.05423 830.6980       64.87926 820.7679       57.55275 129.6946 5.120733 129.0354 4.563894 0.6592407      6.859376 
1 1 1 -11 23 13 o 115.7095 3.249367 657.8739       36.76578 687.2330       56.83494 636.7477       48.21198 117.9630 4.933136 113.6570 4.341622 4.306000       6.571568 
1 1 1 -11 23 14 o 74.82800 3.203116 275.4380       23.40653 278.6255       39.23013 273.6761       29.16687 74.91509 5.385826 74.47937 4.015656 0.4357224      6.718081 
1 1 1 -11 23 15 o 161.8598 3.717205 1288.349       58.89273 1375.327       89.40921 1221.692       78.27145 166.6781 5.487694 157.2079 5.093267 9.470230       7.487066 
1 1 1 -11 23 16 o 82.22186 3.149572 332.5734       25.30121 346.3582       41.60497 324.4838       31.87202 83.56622 5.110816 81.08124 4.028517 2.484978       6.507641 
1 1 1 -11 23 17 o 71.87669 3.243016 254.4317       22.75744 274.4721       38.57185 243.7304       28.18599 74.27427 5.341160 70.21000 4.119462 4.064270       6.745217 
1 1 1 -11 23 18 o 51.90382 3.739721 133.3272       18.87224 115.1667       32.10463 142.9160       23.32842 47.49699 7.125047 53.62112 4.485777 -6.124130      8.419531 
1 1 1 -11 23 19 o 35.05311 7.132561 63.67545       23.63889 72.90351       29.42174 46.87000       39.70436 37.30933 8.273436 31.20183 10.73959 6.107502       13.55686 
1 1 1 -11 23 20 f 114.8208 3.990618 651.2305       44.78227 604.6854       54.38967 749.2000       78.90875 110.3293 5.049782 122.2017 6.621661 -11.87248      8.327466 
1 1 1 -11 23 21 o 27.57297 9.113347 37.57598       28.59081 37.57598       28.59081 0.000000       0.000000 27.57297 9.113347 ?        ?        ?              ?        
1 1 1 -11 23 22 o 42.06867 6.481855 90.66613       25.83497 66.08128       31.72126 139.1000       44.52370 35.23318 9.125836 51.37180 9.191919 -16.13861      12.95269 
1 1 1 -11 23 23 o 80.75381 3.996601 323.2319       31.49261 315.3986       40.85612 334.7000       49.43457 79.39243 5.287546 81.44862 6.248417 -2.056190      8.185406 
1 1 1 -11 23 24 o 175.9048 4.668195 1538.260       80.30618 1348.000       136.0536 1639.989       99.48517 161.6480 8.629989 181.0026 5.622045 -19.35452      10.29971 
1 1 1 -11 23 25 o 79.42070 4.111059 313.3406       31.85026 219.6000       63.48148 344.8761       36.81995 63.79509 10.53337 83.19931 4.538423 -19.40422      11.46949 
1 1 1 -11 23 26 o 65.81905 4.928272 217.1876       31.52011 0.000000       0.000000 217.1876       31.52011 ?        ?        65.81905 4.928272 ?              ?        
1 1 1 -11 23 27 o 92.85368 5.377080 433.4108       48.66201 321.0000       73.74683 520.1000       64.76220 77.38791 9.966798 101.0971 6.580261 -23.70916      11.94307 
1 1 1 -11 23 28 o 70.78008 5.365770 252.6992       36.89791 252.6992       36.89791 0.000000       0.000000 70.78008 5.365770 ?        ?        ?              ?        
1 1 1 -11 23 29 o 68.85652 3.547820 235.3056       23.83121 240.6901       35.58606 230.9274       32.08936 69.05902 5.305079 67.79868 4.867811 1.260345       7.199962 
1 1 1 -11 23 30 o 65.38261 3.611477 212.5255       23.02306 200.3755       33.95506 222.8649       31.32303 62.80486 5.581453 66.55338 4.841361 -3.748520      7.388599 
1 1 1 -11 23 31 o 32.33305 5.980130 54.56317       18.22927 26.28238       26.16531 81.23766       25.41137 23.86497 8.669974 39.30680 6.853782 -15.44184      11.05182 
1 1 1 -11 23 32 o 52.23247 4.108773 136.8817       20.83774 121.7595       29.46149 152.0194       29.47654 48.41426 6.371414 54.50886 5.604388 -6.094597      8.485522 
1 1 1 -11 23 33 o 19.42332 7.842573 11.11802       23.02088 3.948000       51.46669 12.91136       25.73932 25.07573 10.98436 20.54490 8.293677 4.530830       13.76377 
1 1 1 -11 23 34 o 24.19741 6.977207 31.39165       17.43166 24.50237       23.11803 40.47047       26.53862 22.62354 8.159066 27.31354 8.763273 -4.690001      11.97353 
1 1 1 -11 23 35 o 13.26343 5.920050 -4.827557      15.64312 -5.686977      20.90255 -3.733404      23.58498 15.31582 6.839205 16.62068 7.352063 -1.304863      10.04129 
1 1 1 -11 23 36 o 18.15351 6.558780 15.12114       14.94707 3.113883       19.72981 31.29595       22.89921 16.49460 7.007708 24.31207 8.159052 -7.817471      10.75538 
1 1 1 -11 23 37 o 20.41723 6.653834 21.61923       15.26318 21.35304       19.02512 22.10000       25.56780 20.86456 7.415922 22.21112 8.470466 -1.346558      11.25809 
1 1 1 -11 23 38 o 13.07936 5.614197 0.4385056      12.89872 15.27262       17.03526 -19.49362      19.74670 18.62335 6.955286 12.76274 6.027584 5.860619       9.203682 
1 1 1 -11 23 39 o 69.04260 3.312447 238.4897       22.32048 264.0000       34.76409 220.5977       29.11400 71.68423 4.985583 65.76363 4.550894 5.920609       6.750309 
1 1 1 -11 23 40 o 34.50291 4.079208 60.87996       13.51035 54.51464       17.69239 69.78370       20.92487 31.90932 5.881146 36.06873 6.147086 -4.159412      8.507323 
1 1 1 -11 23 41 o 23.14304 5.104485 28.55504       11.25214 33.79028       14.12084 19.44855       18.62378 24.96251 5.877182 20.05680 7.310386 4.905706       9.379927 
1 1 1 -11 23 42 o 18.26567 8.175060 -4.130775      30.04725 -47.04000      46.99468 25.54000       39.07850 18.48688 8.886147 24.65969 10.11972 -6.172808      13.46745 
1 1 1 -11 23 43 o 24.42135 9.361287 30.64087       31.33376 84.99000       49.86933 -4.811000      40.27697 35.41143 12.04019 20.57088 9.312699 14.84055       15.22145 
1 1 1 -11 23 44 f 24.06242 9.406496 28.92133       32.10434 48.02000       50.46862 15.94000       41.60823 28.85483 11.62574 23.30953 10.04527 5.545305       15.36442 
1 1 1 -11 23 45 o 18.59452 8.348698 -3.256536      31.60975 -1.116000      50.99702 -4.592000      40.28096 22.80793 10.38573 20.44756 9.279245 2.360376       13.92723 
1 1 1 -11 23 46 o 23.23335 9.238482 25.71557       31.44258 83.53000       51.32107 -9.026000      39.78344 34.52157 12.18865 19.81765 9.080517 14.70393       15.19931 
1 1 1 -11 23 47 o 30.85866 9.762036 59.67224       33.02667 32.61000       52.17102 77.77000       42.66383 26.58002 11.34725 34.08564 11.12555 -7.505627      15.89145 
1 1 1 -11 23 48 o 23.78521 10.52707 13.44000       48.41902 13.44000       48.41902 0.000000       0.000000 23.78521 10.52707 ?        ?        ?              ?        
1 1 1 -11 23 49 o 24.23107 10.20690 24.83000       41.26839 0.000000       0.000000 24.83000       41.26839 ?        ?        24.23107 10.20690 ?              ?        
1 1 1 -11 23 50 o 18.41318 8.229692 -0.9722117     30.33788 23.89000       46.86979 -18.90000      39.80031 24.65886 10.64435 18.66046 8.732122 5.998402       13.76780 
1 1 1 -11 23 51 o 36.88271 12.12692 99.82000       50.64888 99.82000       50.64888 0.000000       0.000000 36.88271 12.12692 ?        ?        ?              ?        
1 1 1 -11 23 52 o 27.58784 9.566561 48.16883       31.52747 78.98000       47.87219 24.57000       41.89617 32.88124 11.75536 23.81802 10.16840 9.063227       15.54301 
1 1 1 -11 23 53 o 31.16129 9.519689 63.65998       31.71092 -7.921000      46.03416 128.3000       43.74537 20.50853 9.527925 43.79151 10.36722 -23.28299      14.08050 
1 1 1 -11 24 1  o 85.46677 3.728617 359.4310       31.11752 345.3000       65.57251 363.5382       35.35167 82.91259 8.186406 85.89032 4.217836 -2.977730      9.209093 
1 1 1 -11 24 2  o 104.4162 3.743752 536.1825       38.20127 528.4000       75.77438 538.8345       44.23393 102.8899 7.577056 104.5895 4.330137 -1.699554      8.727077 
1 1 1 -11 24 3  o 70.61275 3.851269 245.6815       26.51832 232.2000       60.79444 248.8493       29.46967 67.49783 9.461147 71.01503 4.259111 -3.517197      10.37561 
1 1 1 -11 24 4  o 127.1413 3.968589 795.1624       49.32836 961.4000       100.1342 741.8932       56.68342 138.9782 7.387417 122.6724 4.729523 16.30580       8.771677 
1 1 1 -11 24 5  o 106.8621 3.556684 561.3937       37.15091 0.000000       0.000000 561.3937       37.15091 ?        ?        106.8621 3.556684 ?              ?        
1 1 1 -11 24 6  o 54.32419 3.785845 145.6962       20.00488 0.000000       0.000000 145.6962       20.00488 ?        ?        54.32419 3.785845 ?              ?        
1 1 1 -11 24 7  o 43.50912 4.018254 93.85300       16.91967 175.7000       59.62699 86.68567       17.64495 58.08979 10.88655 41.74670 4.383399 16.34309       11.73589 
1 1 1 -11 24 8  o 61.40828 3.454992 185.7820       20.68355 147.6000       59.93632 190.9437       22.03733 52.86208 11.87430 62.23672 3.633279 -9.374649      12.41771 
1 1 1 -11 24 9  o 41.99479 4.006971 87.50846       16.27147 -39.98000      54.67352 99.89780       17.04377 22.78697 10.51514 44.90665 3.916623 -22.11967      11.22088 
1 1 1 -11 24 10 o 167.7928 4.321271 1386.933       70.91358 0.000000       0.000000 1386.933       70.91358 ?        ?        167.7928 4.321271 ?              ?        
1 1 1 -11 24 11 o 94.96050 3.583316 443.8363       33.24716 361.8000       68.89836 468.7376       37.95917 84.59621 8.432759 97.52744 3.984732 -12.93124      9.326818 
1 1 1 -11 24 12 o 72.78135 3.175284 260.6596       22.56642 173.9000       59.72122 275.1104       24.37342 57.53591 11.00522 74.75427 3.339427 -17.21836      11.50072 
1 1 1 -11 24 13 o 150.8170 4.135461 1121.163       60.99163 1255.000       120.2661 1074.824       70.76710 158.1668 7.792208 147.4502 4.910051 10.71660       9.210163 
1 1 1 -11 24 14 o 36.20269 4.375299 65.55019       15.19027 60.89276       29.76855 67.18987       17.66292 34.11463 8.842697 36.52712 5.077226 -2.412491      10.19664 
1 1 1 -11 24 15 o 87.02094 3.139804 372.6511       26.70054 352.0793       42.54865 386.0146       34.29333 84.18071 5.188990 88.42603 3.972222 -4.245316      6.534842 
1 1 1 -11 24 16 o 137.3057 3.456764 928.2648       46.42150 1019.339       72.41831 864.7386       60.48205 143.3620 5.169157 132.1881 4.681814 11.17387       6.974207 
1 1 1 -11 24 17 o 24.11172 6.040786 30.07484       14.22586 16.12412       29.70502 34.22664       16.20502 22.85223 9.013541 25.69289 6.453181 -2.840662      11.08546 
1 1 1 -11 24 18 f 96.04459 3.210283 454.3796       30.13781 478.1488       47.31613 438.1536       39.09389 98.10144 4.943443 94.08276 4.256168 4.018677       6.523235 
1 1 1 -11 24 19 o 84.60111 3.331574 352.9700       27.53479 381.2892       43.42196 333.9240       35.60993 87.50002 5.091849 82.03728 4.451266 5.462730       6.763186 
1 1 1 -11 24 20 o 41.00408 6.568913 86.33648       25.47519 114.3253       32.58019 42.30000       40.86652 47.08734 7.305326 30.18687 10.85293 16.90047       13.08258 
1 1 1 -11 24 21 o 124.2163 5.217200 769.7445       63.29277 769.7445       63.29277 0.000000       0.000000 124.2163 5.217200 ?        ?        ?              ?        
1 1 1 -11 24 22 o 52.52993 7.049735 141.8901       35.33389 141.8901       35.33389 0.000000       0.000000 52.52993 7.049735 ?        ?        ?              ?        
1 1 1 -11 24 23 o 53.59798 4.243896 143.2917       22.08323 130.1725       33.70396 153.1605       29.23207 50.23952 7.047289 55.08470 5.494764 -4.845173      8.936258 
1 1 1 -11 24 24 o 51.31033 5.726653 133.5892       28.27176 0.000000       0.000000 133.5892       28.27176 ?        ?        51.31033 5.726653 ?              ?        
1 1 1 -11 24 25 o 82.18970 4.616288 337.3794       36.98857 0.000000       0.000000 337.3794       36.98857 ?        ?        82.18970 4.616288 ?              ?        
1 1 1 -11 24 26 o 63.68609 4.517168 202.9588       27.97624 136.6000       62.76208 219.4133       31.25288 48.51931 12.96708 66.11626 4.863235 -17.59695      13.84905 
1 1 1 -11 24 27 o 70.17190 4.484646 246.2950       30.64211 199.7782       37.19185 344.6000       54.06681 62.56306 6.152803 81.97637 6.799186 -19.41331      9.169837 
1 1 1 -11 24 28 o 87.35704 3.992181 379.9046       34.04590 271.8000       69.23738 414.3797       39.09954 70.50481 10.33978 91.07966 4.398757 -20.57484      11.23655 
1 1 1 -11 24 29 o 61.65224 3.782823 189.3962       22.71826 163.7790       34.47557 209.0580       30.20355 56.39524 6.356014 64.43535 4.823822 -8.040112      7.979234 
1 1 1 -11 24 30 o 49.00808 4.318397 120.7606       20.50387 117.3233       31.22989 123.3647       27.18317 47.33181 6.947461 49.03786 5.773734 -1.706047      9.033449 
1 1 1 -11 24 31 o 15.10760 6.796090 -8.093611      21.05810 -16.74665      25.51328 10.40000       37.29864 15.58206 7.187779 22.99495 9.695848 -7.412888      12.06953 
1 1 1 -11 24 32 o 22.24116 8.014365 23.38130       22.29964 -91.11000      49.38205 52.70864       24.99305 16.96282 8.358404 30.94866 8.142207 -13.98584      11.66870 
1 1 1 -11 24 33 o 50.29840 4.113379 127.5682       20.07487 126.0222       28.25306 129.1445       28.52927 49.20224 5.989711 49.82553 5.968296 -0.6232872     8.455602 
1 1 1 -11 24 34 f 11.91314 5.501086 -10.58679      15.00042 -22.29568      20.08826 4.171020       22.55254 12.61753 5.994267 17.67242 7.499544 -5.054891      9.600750 
1 1 1 -11 24 35 o 29.24470 5.466981 45.11666       15.07429 59.09429       20.79986 29.65320       21.87746 33.07989 6.654550 23.71964 7.975080 9.360245       10.38677 
1 1 1 -11 24 36 o 37.66895 4.502897 72.77088       16.27432 65.33372       21.75576 82.22000       24.52259 34.77255 6.633909 39.10257 6.644519 -4.330013      9.389270 
1 1 1 -11 24 37 o 49.43839 7.501035 133.6543       35.16059 107.8000       52.69691 154.4000       47.20442 40.84531 12.22824 51.48260 9.723620 -10.63729      15.62302 
1 1 1 -11 24 38 o 23.57564 10.14163 12.67000       42.26363 0.000000       0.000000 12.67000       42.26363 ?        ?        23.57564 10.14163 ?              ?        
1 1 1 -11 24 39 o 38.43168 9.180202 86.81435       34.05897 67.14000       52.72836 100.9000       44.61517 32.79038 12.23857 40.07024 11.02857 -7.279854      16.47459 
1 1 1 -11 24 40 o 36.67739 9.209774 79.79483       33.01255 97.04000       50.35988 66.80000       43.71558 38.26323 12.04802 32.62282 11.26732 5.640408       16.49567 
1 1 1 -11 24 41 o 15.51669 7.338701 -25.69606      29.46717 -66.58000      46.82570 1.110000       37.91616 17.16830 8.393708 20.89288 9.277621 -3.724583      12.51114 
1 1 1 -11 24 42 o 42.65007 8.306685 105.0277       33.43055 144.5000       53.01459 78.97000       43.07423 46.91263 11.60887 34.76835 11.16533 12.14428       16.10685 
1 1 1 -11 24 43 f 30.06466 9.762164 55.65736       32.87043 6.264000       52.52701 87.45000       42.14167 23.85285 10.73151 36.56371 10.93259 -12.71085      15.31949 
1 1 1 -11 24 44 o 26.50534 9.638459 40.89031       32.34810 24.07000       51.70236 51.71000       41.46683 25.59044 11.11266 28.96679 10.84478 -3.376347      15.52741 
1 1 1 -11 24 45 o 34.40283 9.574043 73.57609       33.41734 65.97000       52.85876 78.64000       43.13001 31.44711 12.13167 34.30772 11.18538 -2.860609      16.50122 
1 1 1 -11 24 46 o 25.63231 9.658450 37.07621       33.00478 51.57000       53.51672 28.18000       41.92768 29.18351 11.89350 24.89925 10.37423 4.284258       15.78227 
1 1 1 -11 24 47 o 19.18417 8.519787 1.139977       31.98359 -39.94000      48.90571 31.84000       42.27794 19.02916 9.125386 25.43160 10.49044 -6.402439      13.90403 
1 1 1 -11 24 48 o 25.09754 10.31344 31.05000       40.66010 0.000000       0.000000 31.05000       40.66010 ?        ?        25.09754 10.31344 ?              ?        
1 1 1 -11 24 49 o 49.16351 7.351954 137.0171       34.29474 135.9000       51.61731 137.9000       45.88701 44.28920 11.72451 46.29357 10.38307 -2.004372      15.66117 
1 1 1 -11 24 50 o 35.17357 9.269536 77.48587       32.35735 83.73000       48.95002 72.64000       43.12237 34.04369 11.91306 32.44413 11.19128 1.599552       16.34521 
1 1 1 -11 24 51 o 31.07565 9.510323 62.18893       31.63050 83.08000       47.82055 45.94000       42.17418 33.67531 11.77548 27.16244 10.73177 6.512871       15.93214 
1 1 1 -11 24 52 o 17.69232 8.514597 -36.30000      43.45294 -36.30000      43.45294 0.000000       0.000000 17.69232 8.514597 ?        ?        ?              ?        
1 1 1 -11 25 1  o 108.7161 4.582323 583.2778       48.65311 716.2000       85.17380 518.9000       59.27552 119.7597 7.300580 102.2338 5.949153 17.52592       9.417584 
1 1 1 -11 25 2  o 116.9552 3.892518 673.3821       44.49908 788.8000       90.74900 636.8451       51.05894 125.6616 7.410807 113.6015 4.601307 12.06015       8.723079 
1 1 1 -11 25 3  o 97.01690 4.236855 464.1486       40.13736 0.000000       0.000000 464.1486       40.13736 ?        ?        97.01690 4.236855 ?              ?        
1 1 1 -11 25 4  o 50.67824 3.957628 127.0882       19.47634 0.000000       0.000000 127.0882       19.47634 ?        ?        50.67824 3.957628 ?              ?        
1 1 1 -11 25 5  o 43.35719 4.283822 93.44358       17.94288 0.000000       0.000000 93.44358       17.94288 ?        ?        43.35719 4.283822 ?              ?        
1 1 1 -11 25 6  o 59.97294 3.459926 177.3251       20.22465 127.2000       58.51271 184.1261       21.55307 48.82822 12.26145 61.09513 3.620327 -12.26691      12.78476 
1 1 1 -11 25 7  o 94.46207 3.185983 438.7534       29.41611 469.3000       74.08183 433.0356       32.05117 96.57027 7.906374 93.79900 3.497040 2.771278       8.645232 
1 1 1 -11 25 8  o 28.07157 5.402205 40.25700       14.30503 61.67000       54.22365 38.65520       14.83043 35.98728 12.54208 27.44609 5.706664 8.541185       13.77932 
1 1 1 -11 25 9  o 23.27345 5.961176 27.88154       13.63864 -36.55000      54.41779 32.20005       14.08829 22.92380 10.54654 24.99658 5.860428 -2.072779      12.06541 
1 1 1 -11 25 10 o 29.98052 4.917709 45.53443       13.93148 66.00000       54.81012 44.12091       14.40456 36.74952 12.61938 29.44938 5.186468 7.300135       13.64361 
1 1 1 -11 25 11 o 14.84549 5.808498 6.596666       12.25039 35.26000       52.78725 4.965073       12.59423 31.17604 12.09730 14.48697 5.817791 16.68908       13.42353 
1 1 1 -11 25 12 o 44.96746 3.939009 100.3785       17.16280 0.000000       0.000000 100.3785       17.16280 ?        ?        44.96746 3.939009 ?              ?        
1 1 1 -11 25 13 o 39.07989 4.346293 76.29443       16.34472 83.99000       53.13604 75.49020       17.17757 39.88031 12.34834 38.82156 4.610388 1.058754       13.18094 
1 1 1 -11 25 14 o 91.43343 3.086760 411.5009       27.58614 474.3000       71.64442 400.5698       29.89075 96.81868 7.621324 90.15568 3.393230 6.663002       8.342576 
1 1 1 -11 25 15 o 61.88454 3.303562 189.0080       19.93858 172.8000       58.15355 191.1672       21.22512 56.93009 10.83150 62.20640 3.499967 -5.276314      11.38293 
1 1 1 -11 25 16 f 99.48840 3.148207 487.4876       30.61927 514.6000       75.62995 482.1725       33.48637 100.6614 7.735092 98.87817 3.465240 1.783188       8.475821 
1 1 1 -11 25 17 o 73.44583 3.225072 266.0776       23.12878 167.7000       60.86423 282.6815       25.00452 55.58274 11.56407 75.67763 3.384112 -20.09489      12.04907 
1 1 1 -11 25 18 o 39.28259 4.502898 77.42065       17.00144 83.05000       55.11358 76.82862       17.87310 39.31724 12.63001 39.07162 4.772319 0.2456207      13.50156 
1 1 1 -11 25 19 o 51.88489 3.785344 133.6878       19.09212 156.0000       58.41676 131.0195       20.20150 53.30032 11.53256 51.30679 4.055521 1.993523       12.22486 
1 1 1 -11 25 20 o 128.0103 5.015365 817.2996       62.72093 846.1000       97.12836 796.7000       82.14423 128.5995 7.752143 125.4591 6.713562 3.140396       10.25513 
1 1 1 -11 25 21 o 37.71101 12.56227 76.57000       54.29886 76.57000       54.29886 0.000000       0.000000 37.71101 12.56227 ?        ?        ?              ?        
1 1 1 -11 25 22 o 44.94471 8.029767 106.4270       34.02897 84.18000       54.78705 120.4000       43.41976 39.05928 12.59675 47.17803 9.725828 -8.118748      15.91445 
1 1 1 -11 25 23 o 93.57572 4.560382 436.8221       41.64480 0.000000       0.000000 436.8221       41.64480 ?        ?        93.57572 4.560382 ?              ?        
1 1 1 -11 25 24 o 85.53974 4.594705 365.5761       38.32967 0.000000       0.000000 365.5761       38.32967 ?        ?        85.53974 4.594705 ?              ?        
1 1 1 -11 25 25 o 56.85234 4.739267 162.4236       26.13371 141.0000       60.77126 167.2844       28.94699 49.39653 12.54670 57.55385 5.194181 -8.157322      13.57937 
1 1 1 -11 25 26 o 59.89875 4.610005 180.0652       26.82093 171.0000       61.98862 182.1531       29.74980 54.79514 11.89909 60.07951 5.107206 -5.284370      12.94882 
1 1 1 -11 25 27 o 71.45526 4.208833 255.1435       29.30721 200.9000       64.28898 269.3732       32.92768 59.60846 11.43432 73.27689 4.614222 -13.66843      12.33024 
1 1 1 -11 25 28 o 80.07162 4.030162 319.8952       31.48537 285.3000       67.26642 329.6011       35.62936 72.38226 9.741302 81.08791 4.506689 -8.705643      10.73328 
1 1 1 -11 25 29 o 111.6149 3.917977 621.0134       42.73819 561.1000       81.79122 643.5159       50.12558 102.9944 8.180250 113.2762 4.529929 -10.28175      9.350762 
1 1 1 -11 25 30 f 24.44155 7.808242 31.33381       21.08628 2.506000       50.09212 37.54219       23.24623 24.66036 10.81857 26.46057 8.163138 -1.800211      13.55280 
1 1 1 -11 25 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 25 32 o 25.50848 9.388667 32.12792       30.83414 -0.9821000     49.51512 53.10000       39.40749 23.79805 10.58290 30.78801 10.69442 -6.989960      15.04555 
1 1 1 -11 25 33 o 53.41470 6.883326 152.0238       35.15289 83.53000       53.51780 204.0000       46.62027 36.61559 12.47246 61.17831 7.974869 -24.56272      14.80408 
1 1 1 -11 25 34 o 35.76894 9.111085 73.72873       31.98287 84.74000       50.57374 66.39000       41.28733 36.77739 12.11917 33.33190 10.94845 3.445492       16.33226 
1 1 1 -11 25 35 o 45.83186 11.70858 131.8000       52.71086 131.8000       52.71086 0.000000       0.000000 45.83186 11.70858 ?        ?        ?              ?        
1 1 1 -11 25 36 o 47.96976 7.387555 125.7896       33.57592 123.2000       52.34482 127.6000       43.76564 43.93409 11.88636 46.45863 9.925544 -2.524544      15.48554 
1 1 1 -11 25 37 o 51.44445 9.708396 155.1000       47.09504 0.000000       0.000000 155.1000       47.09504 ?        ?        51.44445 9.708396 ?              ?        
1 1 1 -11 25 38 o 28.94331 9.760905 49.02167       32.77152 79.78000       50.49649 26.64000       43.07507 34.99810 12.10864 25.51861 10.56357 9.479494       16.06886 
1 1 1 -11 25 39 o 26.00239 9.495070 37.00282       31.43959 12.59000       47.76121 55.67000       41.76435 24.21547 10.59519 30.35138 10.96378 -6.135908      15.24673 
1 1 1 -11 25 40 o 34.12648 9.335460 70.04012       32.07970 29.93000       49.16364 99.78000       42.33374 26.52814 11.15555 39.80152 10.65528 -13.27339      15.42664 
1 1 1 -11 25 41 o 29.69206 9.562422 53.52538       31.57890 54.90000       49.78521 52.60000       40.84791 29.98816 11.71644 29.36528 10.80654 0.6228771      15.93915 
1 1 1 -11 25 42 o 25.87070 9.555865 37.83486       31.99026 4.821000       51.01472 59.23000       41.06814 23.43808 10.55771 30.52346 10.89071 -7.085384      15.16815 
1 1 1 -11 25 43 o 27.00778 9.711563 43.22894       32.72442 -17.73000      51.99286 83.22000       42.11205 21.42085 10.00966 35.41429 10.99758 -13.99343      14.87078 
1 1 1 -11 25 44 o 19.61096 8.573285 4.944167       31.21374 6.766000       50.81191 3.840000       39.55749 23.49406 10.56375 21.23409 9.449927 2.259966       14.17371 
1 1 1 -11 25 45 o 26.07547 11.22343 29.31000       51.81773 29.31000       51.81773 0.000000       0.000000 26.07547 11.22343 ?        ?        ?              ?        
1 1 1 -11 25 46 o 19.39671 8.559805 3.122324       31.78989 43.89000       50.08633 -24.38000      41.13826 27.78195 11.43479 18.53262 8.736547 9.249331       14.39033 
1 1 1 -11 25 47 o 28.09952 10.73206 48.59000       41.08289 0.000000       0.000000 48.59000       41.08289 ?        ?        28.09952 10.73206 ?              ?        
1 1 1 -11 25 48 o 23.80402 9.201218 30.34705       30.45013 -6.484000      45.34347 60.60000       41.09524 20.95699 9.636364 30.24088 10.88189 -9.283899      14.53530 
1 1 1 -11 25 49 o 29.67202 9.513558 55.67044       31.28128 90.44000       47.71868 29.47000       41.42314 35.53197 11.77472 24.71228 10.30516 10.81969       15.64738 
1 1 1 -11 25 50 o 30.83853 9.530973 61.27242       31.67236 77.55000       48.34166 49.03000       41.92377 32.59260 11.79254 27.69810 10.77163 4.894499       15.97160 
1 1 1 -11 25 51 o 30.52774 9.546804 61.09555       31.67440 92.26000       47.12762 35.42000       42.77655 35.13000 11.70339 25.21574 10.49019 9.914255       15.71666 
1 1 1 -11 25 52 o 20.71035 9.345194 5.267000       40.16967 0.000000       0.000000 5.267000       40.16967 ?        ?        20.71035 9.345194 ?              ?        
1 1 1 -11 26 1  o 51.83075 4.146799 133.1959       20.86275 171.6000       56.70673 127.1840       22.43637 57.18302 10.51870 50.56656 4.582678 6.616463       11.47362 
1 1 1 -11 26 2  o 110.4465 4.890292 603.8116       52.73695 513.3000       78.81170 677.2000       70.96633 100.8275 8.052433 116.5744 6.242082 -15.74693      10.18849 
1 1 1 -11 26 3  o 35.30918 5.013906 62.82106       16.84223 0.000000       0.000000 62.82106       16.84223 ?        ?        35.30918 5.013906 ?              ?        
1 1 1 -11 26 4  o 38.03981 4.711494 72.51827       17.16828 0.000000       0.000000 72.51827       17.16828 ?        ?        38.03981 4.711494 ?              ?        
1 1 1 -11 26 5  o 118.5628 3.300689 691.6258       38.26805 631.6000       85.76556 706.5469       42.76063 111.9072 7.880149 119.7653 3.651863 -7.858170      8.685209 
1 1 1 -11 26 6  o 65.79417 3.354906 213.4213       21.53465 141.3000       60.12427 224.0349       23.06485 51.18962 12.17743 67.39174 3.508617 -16.20212      12.67282 
1 1 1 -11 26 7  o 73.91990 3.248868 269.1696       23.44971 301.9000       64.80357 264.2381       25.15434 76.80936 8.776801 73.19670 3.521202 3.612663       9.456801 
1 1 1 -11 26 8  o 38.73710 4.237919 74.89371       15.80698 14.87000       53.92779 80.53540       16.53316 28.35165 11.78524 40.18043 4.268993 -11.82878      12.53460 
1 1 1 -11 26 9  o 70.77619 3.294534 246.9242       22.76115 158.8000       61.48083 260.9209       24.50212 54.27007 11.90207 72.73375 3.451456 -18.46368      12.39241 
1 1 1 -11 26 10 o 88.55116 3.172612 386.1192       27.45459 342.3000       69.86324 394.1221       29.85660 81.66271 8.883130 89.42184 3.417358 -7.759125      9.517791 
1 1 1 -11 26 11 o 43.93451 3.848132 95.88551       16.38172 65.01000       56.39819 98.73052       17.11983 36.40904 12.78383 44.56623 3.965910 -8.157188      13.38487 
1 1 1 -11 26 12 o 23.65904 5.686563 28.95655       13.00535 12.38000       52.48475 30.04095       13.42400 27.56783 11.55522 24.09238 5.768829 3.475451       12.91520 
1 1 1 -11 26 13 o 68.98021 3.261581 234.7460       21.95974 220.2000       64.15191 236.6766       23.37168 64.46531 10.52981 69.22952 3.459959 -4.764206      11.08369 
1 1 1 -11 26 14 o 40.77557 4.075484 82.94102       16.04847 -42.38000      59.83113 92.65649       16.65894 23.50358 10.89974 43.13520 3.990802 -19.63162      11.60736 
1 1 1 -11 26 15 o 46.18916 4.124656 106.3076       18.45205 117.6000       54.49356 104.8452       19.61050 46.19189 11.95944 45.80551 4.429047 0.3863792      12.75323 
1 1 1 -11 26 16 o 114.1144 3.260219 642.2208       36.37878 637.6000       85.41666 643.2446       40.20772 111.6804 7.864026 114.1088 3.604367 -2.428459      8.650686 
1 1 1 -11 26 17 o 14.06836 5.939006 1.304695       14.02119 -96.80000      53.57057 8.519528       14.52762 18.16169 8.900016 16.26481 6.336456 1.896881       10.92524 
1 1 1 -11 26 18 o 99.52316 3.223133 488.8720       31.35707 489.2000       75.70172 488.8040       34.45160 97.47887 8.004390 99.42851 3.545586 -1.949646      8.754510 
1 1 1 -11 26 19 f 54.67649 4.152444 149.0201       22.05722 171.1000       57.15775 145.1566       23.90922 55.97246 10.82418 53.85336 4.579106 2.119102       11.75292 
1 1 1 -11 26 20 o 64.26304 4.796699 206.8293       29.95476 263.6000       60.80062 188.6328       34.42224 70.73465 8.983907 61.01975 5.834141 9.714901       10.71204 
1 1 1 -11 26 21 o 35.92058 7.630635 68.42467       26.00044 62.82000       56.09247 69.95841       29.34315 35.09956 12.70234 36.08765 8.455693 -0.9880943     15.25937 
1 1 1 -11 26 22 o 68.85274 5.339159 239.0310       35.70224 0.000000       0.000000 239.0310       35.70224 ?        ?        68.85274 5.339159 ?              ?        
1 1 1 -11 26 23 o 110.3807 3.411360 603.1375       36.81335 526.4000       84.17790 621.2847       40.93547 100.0521 8.681224 111.9019 3.742551 -11.84977      9.453588 
1 1 1 -11 26 24 o 62.96598 4.532068 198.7198       27.74556 224.3000       63.50156 192.6841       30.84564 63.88852 10.52028 61.78769 5.146882 2.100834       11.71182 
1 1 1 -11 26 25 o 71.35288 4.214150 254.3903       29.30147 276.9000       66.21465 248.9089       32.67492 71.48402 9.714357 70.37462 4.771644 1.109398       10.82300 
1 1 1 -11 26 26 o 70.71082 3.645504 248.7283       25.14670 195.1000       63.26961 258.7892       27.40419 58.57844 11.44503 72.04686 3.900481 -13.46842      12.09142 
1 1 1 -11 26 27 o 22.48386 7.302501 25.73856       18.39251 -27.06000      54.00935 32.66482       19.56173 22.70719 10.46855 24.86473 7.451797 -2.157545      12.84990 
1 1 1 -11 26 28 o 71.22342 5.784652 259.7587       39.98109 184.9000       61.51764 314.5000       52.60608 56.43149 11.52710 77.64391 6.996833 -21.21242      13.48443 
1 1 1 -11 26 29 o 70.61862 4.079805 250.1443       28.08097 126.3000       58.56334 287.1196       31.99953 45.34858 12.69419 75.55241 4.345351 -30.20383      13.41732 
1 1 1 -11 26 30 o 63.28962 6.089623 207.9082       37.25988 156.6000       55.46682 250.1000       50.29835 51.38389 11.33300 68.39138 7.644150 -17.00749      13.67004 
1 1 1 -11 26 31 o 32.18937 9.408862 59.45734       31.50459 53.40000       49.32932 63.63000       40.94217 31.24895 11.80059 32.94440 10.90627 -1.695452      16.06862 
1 1 1 -11 26 32 o 27.18581 9.451978 40.10722       30.78642 -7.511000      49.57952 69.99000       39.27591 22.91050 10.35593 34.27036 10.61725 -11.35986      14.83143 
1 1 1 -11 26 33 o 30.37053 9.640104 53.30599       32.18298 29.67000       49.37951 70.76000       42.43336 27.24663 11.29738 34.14846 11.09194 -6.901836      15.83230 
1 1 1 -11 26 34 o 26.78999 11.21396 27.34000       49.32866 27.34000       49.32866 0.000000       0.000000 26.78999 11.21396 ?        ?        ?              ?        
1 1 1 -11 26 35 o 45.79507 7.905786 116.6857       34.15754 62.17000       51.56864 159.3000       45.59344 32.15821 12.08248 52.62917 9.184444 -20.47096      15.17697 
1 1 1 -11 26 36 o 17.00447 8.163662 -42.96000      39.38950 0.000000       0.000000 -42.96000      39.38950 ?        ?        17.00447 8.163662 ?              ?        
1 1 1 -11 26 37 o 29.01582 9.675465 49.50637       32.20899 66.36000       49.69718 37.30000       42.29395 32.48083 11.92538 27.08296 10.73226 5.397871       16.04357 
1 1 1 -11 26 38 o 44.73538 7.940572 113.0142       33.49689 161.1000       52.45828 79.91000       43.52588 50.83782 10.87114 35.23409 11.21412 15.60373       15.61852 
1 1 1 -11 26 39 o 47.89842 7.602694 128.2637       34.45524 117.6000       54.41637 135.4000       44.51545 41.42555 12.43174 47.24072 9.942128 -5.815166      15.91835 
1 1 1 -11 26 40 o 30.44549 9.649389 56.87908       32.25547 23.10000       50.29436 80.48000       42.03972 25.47238 11.01104 35.07843 11.00268 -9.606058      15.56605 
1 1 1 -11 26 41 o 28.01690 9.737423 47.37950       32.67250 58.43000       52.55936 40.42000       41.71078 30.35629 11.98457 26.97861 10.66842 3.377674       16.04509 
1 1 1 -11 26 42 o 33.67461 9.594135 70.78780       33.15089 69.31000       53.30266 71.72000       42.33466 31.89460 12.21376 32.84598 11.09403 -0.9513798     16.50010 
1 1 1 -11 26 43 o 23.23347 9.283084 25.63489       31.89813 9.696000       51.52469 35.54000       40.61776 23.86373 10.69104 25.94471 10.43789 -2.080980      14.94149 
1 1 1 -11 26 44 o 29.99674 11.96794 58.09000       52.94004 58.09000       52.94004 0.000000       0.000000 29.99674 11.96794 ?        ?        ?              ?        
1 1 1 -11 26 45 o 30.91210 9.772062 60.53719       33.09978 77.72000       51.08066 48.10000       43.45809 33.12146 12.10158 28.07770 10.95339 5.043758       16.32253 
1 1 1 -11 26 46 o 33.87411 11.17891 78.25000       43.02524 0.000000       0.000000 78.25000       43.02524 ?        ?        33.87411 11.17891 ?              ?        
1 1 1 -11 26 47 o 35.28081 9.117705 77.25430       31.71264 82.93000       47.94537 72.84000       42.28328 34.05664 11.79801 32.61425 11.08670 1.442390       16.18975 
1 1 1 -11 26 48 o 18.30605 8.167656 -0.2298035     29.74618 -42.42000      45.04357 32.40000       39.61269 17.86558 8.615850 24.98114 10.21291 -7.115553      13.36175 
1 1 1 -11 26 49 f 20.91021 8.746373 16.71640       29.97499 -25.17000      45.02069 50.07000       40.17418 19.02180 9.018432 27.85373 10.61889 -8.831928      13.93172 
1 1 1 -11 26 50 o 16.08746 7.532717 -16.37425      29.69380 -23.29000      44.67237 -10.90000      39.74495 18.94231 8.981544 19.05810 8.853773 -0.1157856     12.61180 
1 1 1 -11 26 51 o 23.38589 9.169377 30.96010       30.58232 36.93000       46.21698 26.31000       40.78957 25.43357 10.76195 23.52130 10.03723 1.912271       14.71616 
1 1 1 -11 27 1  o 74.04696 3.308997 270.3099       23.92276 222.7000       62.45648 278.4958       25.89785 65.19426 10.11484 75.12431 3.531787 -9.930046      10.71371 
1 1 1 -11 27 2  o 93.48061 4.142168 432.1092       37.80730 0.000000       0.000000 432.1092       37.80730 ?        ?        93.48061 4.142168 ?              ?        
1 1 1 -11 27 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 27 4  o 37.36343 4.514078 69.99145       16.17480 149.8000       54.79586 62.37374       16.92916 52.90728 10.94238 35.12699 5.070232 17.78028       12.05997 
1 1 1 -11 27 5  o 61.48501 3.455759 186.7226       20.71417 124.3000       58.04124 195.8338       22.17441 47.69404 12.33968 62.94530 3.614199 -15.25126      12.85808 
1 1 1 -11 27 6  o 36.34216 4.552647 66.32217       15.84062 100.7000       53.49514 63.01810       16.58439 43.05557 12.16093 35.33341 4.929193 7.722164       13.12194 
1 1 1 -11 27 7  o 28.11807 5.415990 40.57379       14.36561 36.08000       51.39906 40.95457       14.96187 30.81116 11.94227 28.21407 5.615226 2.597088       13.19654 
1 1 1 -11 27 8  o 57.78304 3.451107 165.0448       19.43040 207.4000       59.58814 160.0055       20.55382 62.74265 10.04111 56.84602 3.714251 5.896637       10.70605 
1 1 1 -11 27 9  o 77.51247 3.244585 296.2883       24.56267 234.3000       64.36369 306.8549       26.57383 66.65576 10.18796 78.84602 3.451610 -12.19025      10.75677 
1 1 1 -11 27 10 o 100.8567 3.206608 501.2938       31.61581 411.2000       74.53706 521.0589       34.91199 89.39703 8.625069 102.7661 3.475713 -13.36907      9.299053 
1 1 1 -11 27 11 o 36.93829 4.396043 68.47411       15.58297 59.86000       55.04795 69.22453       16.24755 35.09911 12.59887 37.10639 4.569771 -2.007282      13.40203 
1 1 1 -11 27 12 o 74.68913 3.265770 275.3698       23.81761 191.4000       63.76963 288.9823       25.67570 59.35921 11.38951 76.48129 3.438531 -17.12209      11.89725 
1 1 1 -11 27 13 o 57.44230 3.477044 163.3641       19.45852 153.8000       59.88145 164.4932       20.57511 52.75222 11.88322 57.60403 3.668134 -4.851814      12.43648 
1 1 1 -11 27 14 o 64.26896 3.315547 204.2303       20.78701 207.6000       60.91385 203.7861       22.11451 62.18587 10.37246 64.15427 3.535312 -1.968399      10.95840 
1 1 1 -11 27 15 o 16.36244 6.129647 10.30297       13.25161 0.000000       0.000000 10.30297       13.25161 ?        ?        16.36244 6.129647 ?              ?        
1 1 1 -11 27 16 o 78.79503 3.582714 307.3860       27.56001 343.2000       67.74342 300.2828       30.16955 81.11510 8.666270 77.77405 3.976232 3.341057       9.534918 
1 1 1 -11 27 17 o 96.89279 3.650953 464.8789       34.56419 515.9000       75.99522 451.5718       38.81075 100.0519 7.822003 95.32536 4.169549 4.726570       8.863909 
1 1 1 -11 27 18 o 46.32921 4.494268 107.7177       20.12502 167.9000       56.43276 98.94870       21.54136 55.26458 10.81967 44.23518 5.066374 11.02940       11.94711 
1 1 1 -11 27 19 o 41.17035 4.554745 85.38426       18.04843 93.07000       55.87819 84.48904       19.07061 40.53829 12.68058 40.87122 4.862145 -0.3329277     13.58078 
1 1 1 -11 27 20 o 43.15382 6.586697 96.51001       26.94213 64.85000       58.70984 104.9560       30.32364 35.49514 12.97307 44.82941 7.150601 -9.334270      14.81323 
1 1 1 -11 27 21 o 87.22572 4.936331 381.8134       41.97385 0.000000       0.000000 381.8134       41.97385 ?        ?        87.22572 4.936331 ?              ?        
1 1 1 -11 27 22 o 32.08403 8.094119 55.46594       25.41364 9.311000       56.47930 67.18317       28.45724 27.19853 11.71222 35.24974 8.372653 -8.051208      14.39713 
1 1 1 -11 27 23 o 74.35117 4.190398 276.1156       30.37302 323.3000       67.48581 264.1302       34.01251 77.78087 9.031816 72.47830 4.821710 5.302567       10.23829 
1 1 1 -11 27 24 o 103.2441 4.001387 531.1776       40.36071 409.5000       78.06700 575.5652       47.15120 87.26442 9.281773 107.2245 4.502566 -19.96010      10.31622 
1 1 1 -11 27 25 o 105.3053 4.562668 556.0449       46.91845 0.000000       0.000000 556.0449       46.91845 ?        ?        105.3053 4.562668 ?              ?        
1 1 1 -11 27 26 o 34.53500 6.025563 62.41327       19.62826 17.04000       54.34053 69.22147       21.04941 27.28646 11.61262 36.37335 6.129924 -9.086889      13.13122 
1 1 1 -11 27 27 o 78.52773 5.529435 314.9705       42.23035 227.2000       62.16192 390.2000       57.54985 63.40763 10.37400 86.50400 6.852707 -23.09637      12.43300 
1 1 1 -11 27 28 o 29.03421 6.187258 44.90578       17.04568 2.004000       49.80878 50.59679       18.14106 24.31596 10.72327 30.84801 6.222912 -6.532045      12.39811 
1 1 1 -11 27 29 o 27.59959 9.497382 41.13557       31.05004 41.87000       48.62766 40.63000       40.34568 29.37762 11.54923 28.30534 10.67583 1.072287       15.72762 
1 1 1 -11 27 30 o 41.83358 8.393107 97.83842       33.17160 52.61000       51.13520 130.7000       43.58715 31.09254 11.94856 47.60571 9.683937 -16.51316      15.38008 
1 1 1 -11 27 31 o 48.02674 7.502324 125.6359       34.11554 109.1000       52.78302 137.5000       44.70926 41.39326 12.20026 48.70924 9.718169 -7.315975      15.59773 
1 1 1 -11 27 32 o 30.56797 11.70958 52.13000       49.00359 52.13000       49.00359 0.000000       0.000000 30.56797 11.70958 ?        ?        ?              ?        
1 1 1 -11 27 33 o 47.23156 7.866030 123.6567       35.08749 109.4000       51.62092 135.9000       47.83722 41.18874 12.04502 47.42765 10.57433 -6.238903      16.02807 
1 1 1 -11 27 34 o 25.69430 9.467200 34.74622       31.36612 20.84000       48.40767 44.81000       41.18038 25.61581 10.93283 28.54197 10.78113 -2.926157      15.35446 
1 1 1 -11 27 35 o 24.20096 10.22672 18.92000       41.64259 0.000000       0.000000 18.92000       41.64259 ?        ?        24.20096 10.22672 ?              ?        
1 1 1 -11 27 36 o 28.24338 9.554834 46.51006       31.40280 -9.556000      46.14042 94.89000       42.86119 21.48849 9.820832 38.75867 10.86359 -17.27018      14.64467 
1 1 1 -11 27 37 o 19.74015 8.495914 6.667771       29.68808 16.44000       45.73324 -0.4496000     39.02967 24.24902 10.49106 20.89234 9.336325 3.356680       14.04384 
1 1 1 -11 27 38 o 26.16717 9.428996 38.71348       30.86666 66.26000       50.73917 22.53000       38.89072 31.98680 11.99187 23.97011 9.989615 8.016691       15.60761 
1 1 1 -11 27 39 o 21.61356 8.965907 16.94935       31.12170 12.42000       50.68779 19.69000       39.42872 24.19680 10.73683 23.44631 9.931518 0.7504845      14.62582 
1 1 1 -11 27 40 o 36.45113 9.356244 81.64926       33.54886 93.22000       54.31105 74.51000       42.66129 35.98851 12.55156 33.45999 11.13470 2.528522       16.77865 
1 1 1 -11 27 41 o 22.30093 9.116010 21.01654       31.55557 23.21000       52.15609 19.75000       39.63228 25.40779 11.09537 23.33214 9.923063 2.075657       14.88538 
1 1 1 -11 27 42 o 39.37668 8.910550 93.52311       33.53951 66.92000       54.13105 110.1000       42.72989 31.38296 12.22984 41.23464 10.54606 -9.851677      16.14894 
1 1 1 -11 27 43 f 20.23336 9.587598 -28.02000      50.74865 -28.02000      50.74865 0.000000       0.000000 20.23336 9.587598 ?        ?        ?              ?        
1 1 1 -11 27 44 o 22.10908 9.085497 20.57487       31.55483 32.15000       48.99405 12.37000       41.24924 25.98854 11.04216 22.43292 9.830035 3.555620       14.78373 
1 1 1 -11 27 45 f 22.06978 9.724416 10.22000       40.87981 0.000000       0.000000 10.22000       40.87981 ?        ?        22.06978 9.724416 ?              ?        
1 1 1 -11 27 46 o 17.18974 7.858868 -8.274945      29.57948 -10.22000      44.32264 -6.713000      39.71848 20.34463 9.416153 19.78067 9.067125 0.5639629      13.07198 
1 1 1 -11 27 47 o 30.01236 9.503617 57.21154       31.29442 31.74000       47.00510 77.49000       41.94062 25.51756 10.82782 33.53599 11.03571 -8.018431      15.46055 
1 1 1 -11 27 48 o 19.91391 8.552395 10.96100       29.96248 66.12000       45.66430 -30.74000      39.70469 30.62043 11.39702 17.39818 8.310539 13.22226       14.10522 
1 1 1 -11 27 49 o 28.94427 9.543408 54.78403       31.35916 40.76000       46.80173 66.21000       42.24467 26.19735 10.94133 30.51340 11.02606 -4.316057      15.53341 
1 1 1 -11 27 50 o 19.61396 8.491824 10.43414       30.00664 26.63000       45.08713 -2.443000      40.20318 23.99471 10.39879 19.89912 9.121742 4.095594       13.83260 
1 1 1 -11 28 1  o 108.9447 4.591144 589.1137       48.84934 0.000000       0.000000 589.1137       48.84934 ?        ?        108.9447 4.591144 ?              ?        
1 1 1 -11 28 2  o 74.45822 3.316096 273.6320       24.10766 217.9000       63.25406 283.1031       26.07575 64.01368 10.45567 75.69658 3.528998 -11.68290      11.03516 
1 1 1 -11 28 3  o 83.87244 3.242976 346.9563       26.57358 303.6000       65.96822 355.3544       29.03337 76.49059 8.981841 84.82849 3.504173 -8.337898      9.641198 
1 1 1 -11 28 4  o 24.53016 6.640012 31.24761       16.32982 18.22000       52.20993 32.66024       17.19240 28.15087 11.63934 25.06750 6.824766 3.083370       13.49265 
1 1 1 -11 28 5  o 29.81966 6.002733 45.99112       16.91394 41.32000       54.81984 46.48257       17.78145 31.98231 12.35027 29.92630 6.271263 2.056007       13.85128 
1 1 1 -11 28 6  o 30.44103 5.275490 47.39839       15.14982 56.68000       55.26557 46.64425       15.75327 34.51487 12.59114 30.13115 5.545609 4.383715       13.75829 
1 1 1 -11 28 7  o 34.16851 4.823923 59.08025       15.68532 91.16000       54.89931 56.22879       16.36759 40.78902 12.53792 33.23053 5.202572 7.558498       13.57447 
1 1 1 -11 28 8  o 22.77804 6.091608 26.91761       13.84518 6.840000       52.39917 28.42453       14.35535 26.59234 11.36281 23.38726 6.179255 3.205074       12.93432 
1 1 1 -11 28 9  o 36.18563 4.584326 65.99486       15.87359 34.71000       53.94986 68.95988       16.60877 30.67527 12.13218 36.97635 4.694562 -6.301079      13.00879 
1 1 1 -11 28 10 o 55.22651 3.530710 151.1824       18.98608 112.3000       57.79473 155.8862       20.10171 44.69061 12.64619 56.05130 3.684306 -11.36069      13.17195 
1 1 1 -11 28 11 o 85.15306 3.239427 358.0812       26.95144 306.7000       67.68124 367.7643       29.38147 76.38422 9.239864 86.23722 3.487944 -9.853004      9.876277 
1 1 1 -11 28 12 o 30.08062 5.140038 46.33920       14.59101 37.38000       54.03763 47.04377       15.15388 30.96880 12.17475 30.27330 5.307358 0.6954975      13.28128 
1 1 1 -11 28 13 o 59.07140 3.412828 172.8570       19.64920 172.5000       58.00300 172.9033       20.88403 56.09552 10.95686 59.03249 3.631822 -2.936970      11.54309 
1 1 1 -11 28 14 o 88.52003 3.188785 387.0666       27.58435 366.8000       70.11003 390.7784       30.00423 83.74706 8.678355 88.87270 3.455703 -5.125648      9.341078 
1 1 1 -11 28 15 o 72.97517 3.248834 263.3896       23.14828 221.6000       62.37278 270.0649       24.92864 63.96254 10.31304 73.84476 3.458446 -9.882221      10.87748 
1 1 1 -11 28 16 o 50.40843 4.117661 126.9545       20.14015 112.1000       56.50318 129.1165       21.55601 44.23309 12.49976 50.77112 4.380354 -6.538029      13.24506 
1 1 1 -11 28 17 o 24.75926 7.067445 32.15424       17.97231 0.000000       0.000000 32.15424       17.97231 ?        ?        24.75926 7.067445 ?              ?        
1 1 1 -11 28 18 o 20.71875 7.079333 20.57899       17.24400 -32.10000      53.20964 26.76089       18.22773 22.31370 10.32384 22.90811 7.252951 -0.5944099     12.61693 
1 1 1 -11 28 19 o 58.01035 4.176315 168.2084       23.55529 0.000000       0.000000 168.2084       23.55529 ?        ?        58.01035 4.176315 ?              ?        
1 1 1 -11 28 20 f 23.71461 8.912042 23.91691       28.05954 0.000000       0.000000 23.91691       28.05954 ?        ?        23.71461 8.912042 ?              ?        
1 1 1 -11 28 21 o 75.74268 4.404730 287.2324       32.51534 279.2000       65.32526 289.8779       37.48930 71.83306 9.525290 75.81240 5.081313 -3.979340      10.79587 
1 1 1 -11 28 22 o 47.76468 5.909211 117.3358       27.03893 117.5000       58.49875 117.2912       30.49153 44.47082 12.76884 47.41269 6.761543 -2.941875      14.44859 
1 1 1 -11 28 23 o 103.9830 3.408247 536.5294       34.64274 544.3000       81.91719 534.8370       38.22957 101.3756 8.328734 103.6584 3.774109 -2.282799      9.143944 
1 1 1 -11 28 24 o 29.64675 7.821373 47.78971       23.02101 28.84000       55.64635 51.70264       25.28636 29.00363 12.00637 30.73282 8.238365 -1.729197      14.56103 
1 1 1 -11 28 25 o 64.92534 6.248983 218.2722       39.22278 146.7000       60.55609 270.0000       51.48111 49.14101 12.54742 71.46291 7.469916 -22.32190      14.60265 
1 1 1 -11 28 26 o 48.47388 5.595783 121.3275       26.06382 118.1000       54.46068 122.2863       29.68397 43.92826 12.22126 48.27103 6.443219 -4.342773      13.81572 
1 1 1 -11 28 27 o 88.03545 3.278503 385.8626       28.20201 336.6000       65.54468 397.0548       31.24185 78.33665 8.694280 89.15614 3.587294 -10.81950      9.405273 
1 1 1 -11 28 28 o 35.72119 9.152818 73.36395       32.14460 29.89000       49.08854 106.0000       42.53186 27.41188 11.30524 42.29751 10.35715 -14.88563      15.33229 
1 1 1 -11 28 29 o 61.30342 6.145771 197.0731       36.38118 140.3000       55.04879 241.1000       48.47702 47.43092 11.88308 66.77938 7.548470 -19.34846      14.07789 
1 1 1 -11 28 30 o 39.20755 8.715595 87.71135       32.58162 71.60000       51.76733 98.28000       41.92756 34.06539 12.21891 40.33293 10.51431 -6.267536      16.11994 
1 1 1 -11 28 31 o 23.58401 10.46358 3.754000       48.12533 3.754000       48.12533 0.000000       0.000000 23.58401 10.46358 ?        ?        ?              ?        
1 1 1 -11 28 32 o 41.73775 8.580930 99.54404       33.88470 61.91000       49.75377 132.1000       46.27548 31.99137 11.89851 46.77813 10.37806 -14.78675      15.78856 
1 1 1 -11 28 33 o 41.42276 11.36606 108.9000       47.46977 0.000000       0.000000 108.9000       47.46977 ?        ?        41.42276 11.36606 ?              ?        
1 1 1 -11 28 34 o 41.00872 11.19677 107.1000       46.19803 0.000000       0.000000 107.1000       46.19803 ?        ?        41.00872 11.19677 ?              ?        
1 1 1 -11 28 35 o 58.31169 6.343340 182.0535       35.62310 167.3000       52.66142 194.5000       48.36918 52.03671 10.69663 58.16463 8.768008 -6.127926      13.83098 
1 1 1 -11 28 36 o 19.93099 8.525775 8.154002       29.55842 80.68000       46.29749 -41.75000      38.40416 34.98331 11.59823 16.67023 8.018093 18.31308       14.09996 
1 1 1 -11 28 37 o 26.63592 9.436589 41.04707       30.78344 27.95000       46.98138 50.90000       40.74942 25.74142 10.86933 29.01223 10.77238 -3.270807      15.30316 
1 1 1 -11 28 38 o 16.16311 7.556085 -18.69369      29.68084 -19.90000      47.86387 -17.94000      37.83335 20.47023 9.577999 18.44784 8.593201 2.022392       12.86784 
1 1 1 -11 28 39 o 30.36206 9.792120 57.81416       33.10644 22.97000       52.97765 80.14000       42.40642 25.47171 11.15147 34.58331 11.07571 -9.111599      15.71708 
1 1 1 -11 28 40 o 22.48262 9.141041 22.16397       31.52408 -25.93000      51.36244 51.23000       39.92944 20.55722 9.712503 28.67916 10.66065 -8.121943      14.42159 
1 1 1 -11 28 41 o 29.70134 9.672728 55.31486       32.25803 72.98000       52.93560 44.88000       40.68483 32.24636 12.21371 27.42463 10.62622 4.821732       16.18923 
1 1 1 -11 28 42 o 21.12239 9.879907 -16.60000      50.85953 -16.60000      50.85953 0.000000       0.000000 21.12239 9.879907 ?        ?        ?              ?        
1 1 1 -11 28 43 o 34.46593 9.470840 74.71424       32.93192 66.43000       50.84748 80.70000       43.22178 31.07071 11.92136 34.29706 11.19829 -3.226353      16.35605 
1 1 1 -11 28 44 o 29.03469 10.94283 54.41000       42.37141 0.000000       0.000000 54.41000       42.37141 ?        ?        29.03469 10.94283 ?              ?        
1 1 1 -11 28 45 o 14.52443 6.990092 -32.55289      29.28757 6.716000       44.56784 -62.40000      38.85513 22.10533 9.920094 15.07041 7.423657 7.034925       12.39028 
1 1 1 -11 28 46 o 29.77003 9.490854 56.38760       31.16599 21.62000       47.03038 83.61000       41.61544 24.16709 10.54515 34.85365 10.94912 -10.68656      15.20142 
1 1 1 -11 28 47 o 28.84145 9.501089 53.51117       31.08409 26.86000       46.28889 75.40000       41.94979 24.50964 10.57906 32.69941 11.04349 -8.189766      15.29298 
1 1 1 -11 28 48 o 25.15080 9.348070 38.77102       30.70068 44.31000       45.85210 34.27000       41.33330 26.62200 10.94732 24.86597 10.32541 1.756025       15.04852 
1 1 1 -11 28 49 o 16.60522 7.659031 -9.334086      28.95866 -12.52000      43.64283 -6.828000      38.70739 19.51721 9.136563 19.12429 8.833017 0.3929195      12.70823 
1 1 1 -11 29 1  o 61.64988 4.617950 189.8831       27.66434 172.7000       62.03875 194.1479       30.90736 55.85921 11.72094 62.19807 5.122020 -6.338863      12.79123 
1 1 1 -11 29 2  o 49.29747 5.415349 122.8204       25.70133 98.98000       58.35949 128.5568       28.62691 42.05505 12.92699 50.29527 5.928667 -8.240211      14.22167 
1 1 1 -11 29 3  o 94.36038 3.255654 439.6393       30.02500 403.9000       72.87282 446.9470       32.95196 88.18240 8.549780 95.06422 3.547484 -6.881813      9.256532 
1 1 1 -11 29 4  o 25.74537 6.166699 34.63074       15.33551 3.842000       54.21703 37.30826       15.98843 26.49189 11.44200 26.71872 6.228799 -0.2268238     13.02756 
1 1 1 -11 29 5  o 114.9280 3.833609 654.1640       43.06569 558.2000       83.48368 688.9606       50.27079 103.9186 8.275646 117.7418 4.369513 -13.82314      9.358363 
1 1 1 -11 29 6  o 25.34480 6.458637 33.63365       16.06675 58.78000       54.33253 31.22401       16.81894 34.46950 12.49768 24.46295 6.786286 10.00655       14.22131 
1 1 1 -11 29 7  o 18.51388 6.351243 15.98485       13.88266 29.35000       52.66497 14.98679       14.39168 29.51780 11.88193 18.28479 6.454634 11.23301       13.52193 
1 1 1 -11 29 8  o 49.51499 3.888482 122.1086       18.69506 43.38000       54.75469 132.4977       19.89035 31.92597 12.33907 51.57178 3.970806 -19.64581      12.96225 
1 1 1 -11 29 9  o 33.97759 4.853511 58.63774       15.68376 43.64000       53.91969 60.02393       16.39255 31.81565 12.25835 34.34079 5.025487 -2.525148      13.24850 
1 1 1 -11 29 10 o 21.63058 6.202351 24.19322       13.81142 36.26000       52.70862 23.30361       14.31148 30.45932 12.00891 21.31968 6.370180 9.139643       13.59386 
1 1 1 -11 29 11 o 67.37726 3.355883 224.7810       22.06263 209.4000       59.77071 227.2072       23.73905 62.21041 10.16647 67.68299 3.596160 -5.472576      10.78376 
1 1 1 -11 29 12 o 82.95264 3.240022 340.2851       26.25719 274.4000       63.93908 353.6499       28.79745 71.81047 9.315803 84.49918 3.489239 -12.68871      9.947812 
1 1 1 -11 29 13 o 43.12775 4.073997 93.13359       16.99441 28.86000       53.85780 100.2407       17.90937 29.39895 11.94995 44.74141 4.136253 -15.34246      12.64555 
1 1 1 -11 29 14 f 24.53538 5.914631 31.55107       14.03724 24.98000       52.94654 32.04787       14.55821 28.65965 11.77221 24.71025 6.064851 3.949406       13.24263 
1 1 1 -11 29 15 o 27.36099 5.862980 39.14854       15.22971 48.87000       53.17720 38.27992       15.89555 32.24091 12.23466 26.99028 6.153814 5.250622       13.69512 
1 1 1 -11 29 16 o 64.16300 3.425031 204.2797       21.43280 197.8000       59.43710 205.2481       22.97877 59.89059 10.52277 64.25085 3.669027 -4.360260      11.14407 
1 1 1 -11 29 17 o 27.99419 6.087940 41.15154       16.20562 38.26000       51.43631 41.47020       17.07525 30.23190 11.88019 28.04143 6.366909 2.190470       13.47874 
1 1 1 -11 29 18 o 54.77996 4.094516 150.1358       21.79602 0.000000       0.000000 150.1358       21.79602 ?        ?        54.77996 4.094516 ?              ?        
1 1 1 -11 29 19 o 50.87374 4.575705 130.4352       22.54227 0.000000       0.000000 130.4352       22.54227 ?        ?        50.87374 4.575705 ?              ?        
1 1 1 -11 29 20 o 35.40437 6.655335 66.11804       22.21745 16.18000       54.26752 76.17381       24.35183 27.34497 11.61996 38.01153 6.794401 -10.66656      13.46059 
1 1 1 -11 29 21 o 39.41143 7.230866 82.61244       26.86687 80.99000       56.32784 83.09026       30.56812 37.42835 12.79469 39.10172 8.246672 -1.673367      15.22208 
1 1 1 -11 29 22 o 60.32908 4.986238 184.6618       29.18191 183.7000       60.09119 184.9586       33.38258 56.38184 11.28258 60.03261 5.751272 -3.650768      12.66388 
1 1 1 -11 29 23 o 37.10082 6.864092 73.36005       24.00928 58.70000       54.08538 76.95797       26.79400 33.03033 12.38142 37.73891 7.517579 -4.708576      14.48494 
1 1 1 -11 29 24 o 51.72917 5.208351 137.1188       26.01332 104.4000       55.42486 146.3624       29.45963 41.07260 12.59275 53.20714 5.747661 -12.13454      13.84243 
1 1 1 -11 29 25 o 48.00071 5.832238 119.9089       26.84079 43.48000       53.83524 145.1919       30.96367 30.19299 12.06120 52.72816 6.112447 -22.53517      13.52163 
1 1 1 -11 29 26 o 32.00532 5.972395 54.43716       18.02213 81.71000       49.54454 50.27814       19.34755 36.35860 11.99586 30.46118 6.673823 5.897419       13.72736 
1 1 1 -11 29 27 f 86.82436 5.255104 387.3446       44.45197 366.7000       65.77561 404.7000       60.30872 81.60954 8.351789 87.04503 7.141042 -5.435486      10.98849 
1 1 1 -11 29 28 o 67.21748 5.893286 235.9663       38.38259 128.6000       57.60360 321.7000       51.47441 44.44215 12.64192 77.74053 6.834013 -33.29838      14.37087 
1 1 1 -11 29 29 o 37.62357 9.206363 82.63774       33.62284 82.17000       53.66478 82.94000       43.13974 35.72442 12.47552 36.52777 11.09232 -0.8033524     16.69366 
1 1 1 -11 29 30 o 24.92288 10.89544 12.61000       50.41228 12.61000       50.41228 0.000000       0.000000 24.92288 10.89544 ?        ?        ?              ?        
1 1 1 -11 29 31 o 40.90065 8.770487 96.52298       34.05856 98.65000       52.62575 94.99000       44.67672 38.61592 12.33526 38.79087 11.16533 -0.1749496     16.63801 
1 1 1 -11 29 32 o 45.51213 10.88214 128.9000       47.82138 0.000000       0.000000 128.9000       47.82138 ?        ?        45.51213 10.88214 ?              ?        
1 1 1 -11 29 33 o 23.37998 9.358864 23.90496       32.48195 -9.389000      47.80431 52.46000       44.27165 21.78902 9.972582 29.74362 11.19082 -7.954601      14.98956 
1 1 1 -11 29 34 o 60.83134 6.313432 198.3941       37.04628 153.0000       53.87872 239.1000       51.02072 48.65716 11.49643 64.99085 8.202608 -16.33369      14.12270 
1 1 1 -11 29 35 o 52.82748 6.819399 152.4194       34.44061 129.1000       52.11518 170.5000       45.88943 44.01918 11.83913 53.97170 9.003385 -9.952522      14.87367 
1 1 1 -11 29 36 o 56.70176 6.570070 175.0080       35.79063 118.7000       53.47485 220.7000       48.17085 41.22456 12.31261 62.19762 8.104927 -20.97306      14.74077 
1 1 1 -11 29 37 o 58.36940 6.601443 186.3599       37.05522 145.8000       56.69888 216.6000       48.95731 45.55729 12.38998 61.08706 8.410704 -15.52978      14.97503 
1 1 1 -11 29 38 o 24.64961 9.400614 33.28365       31.49177 50.33000       51.76841 23.27000       39.67759 28.80012 11.71240 23.79442 10.01476 5.005699       15.41025 
1 1 1 -11 29 39 o 26.24610 9.579978 40.45618       31.99937 19.78000       51.49820 53.46000       40.84063 24.86659 10.93720 29.08573 10.78729 -4.219133      15.36189 
1 1 1 -11 29 40 o 27.69278 9.626307 47.24611       31.93173 35.07000       51.15340 55.02000       40.87330 26.53029 11.27800 29.23548 10.80094 -2.705191      15.61581 
1 1 1 -11 29 41 o 27.89472 11.65651 44.87000       53.16269 44.87000       53.16269 0.000000       0.000000 27.89472 11.65651 ?        ?        ?              ?        
1 1 1 -11 29 42 o 32.08403 9.594273 65.40945       32.45418 15.43000       50.80669 99.86000       42.18162 24.08215 10.71399 38.66576 10.75505 -14.58361      15.18094 
1 1 1 -11 29 43 o 23.79958 10.12187 23.33000       41.23631 0.000000       0.000000 23.33000       41.23631 ?        ?        23.79958 10.12187 ?              ?        
1 1 1 -11 29 44 o 21.10926 8.811498 17.06996       30.32996 35.10000       45.89462 3.090000       40.41255 25.81210 10.81143 20.94245 9.418316 4.869656       14.33847 
1 1 1 -11 29 45 o 17.74745 8.017250 -3.671209      29.66173 -12.59000      45.56666 2.887000       39.07391 20.26184 9.435652 20.64421 9.274522 -0.3823681     13.23058 
1 1 1 -11 29 46 o 17.48195 7.914203 -3.806454      29.08735 -19.54000      43.58055 8.833000       39.06102 19.11258 9.004476 21.20692 9.416883 -2.094341      13.02913 
1 1 1 -11 29 47 o 22.37738 9.003750 25.80842       30.22671 -21.31000      44.84710 65.03000       40.91679 19.05654 9.024933 30.25000 10.86159 -11.19346      14.12174 
1 1 1 -11 29 48 o 20.88076 8.754300 18.28441       30.13509 -11.30000      44.64735 43.04000       40.84143 19.77025 9.250512 26.01846 10.46693 -6.248205      13.96885 
1 1 1 -11 30 1  o 76.69696 3.376408 291.1351       25.28562 205.4000       63.82414 307.0970       27.53902 61.08562 11.08232 78.72052 3.583395 -17.63490      11.64725 
1 1 1 -11 30 2  o 40.36067 6.506858 84.34952       24.83215 108.1000       57.35285 78.86993       27.54819 43.50059 12.68916 38.65716 7.551366 4.843430       14.76611 
1 1 1 -11 30 3  o 76.17155 5.318620 291.9319       39.40585 290.2000       65.81023 292.9000       49.20113 73.94569 9.297342 75.69644 6.709820 -1.750748      11.46570 
1 1 1 -11 30 4  o 97.85354 3.288939 473.3974       31.45726 429.5000       74.62115 482.8845       34.69038 90.64227 8.510101 98.73364 3.595536 -8.091370      9.238490 
1 1 1 -11 30 5  o 13.67377 5.849371 0.6628710E-01  13.91430 34.69000       52.49548 -2.550019      14.43043 30.08918 11.94608 13.32029 5.826098 16.76889       13.29106 
1 1 1 -11 30 6  o 17.72096 6.599511 12.60820       15.31565 63.56000       52.68747 7.905387       16.00686 34.88146 12.34671 16.57432 6.591311 18.30714       13.99595 
1 1 1 -11 30 7  o 22.89713 6.651005 27.25351       15.78635 33.76000       49.91845 26.53049       16.64036 29.50571 11.66994 22.69534 6.888579 6.810373       13.55138 
1 1 1 -11 30 8  o 43.81234 4.107558 96.14130       17.40974 97.63000       52.60896 95.95821       18.44924 41.38905 12.17512 43.70467 4.371243 -2.315617      12.93605 
1 1 1 -11 30 9  o 9.182467 4.435867 -18.82543      12.06382 3.462000       49.29107 -20.24553      12.44222 25.11443 10.87845 9.215675 4.464647 15.89875       11.75898 
1 1 1 -11 30 10 o 16.25526 6.202020 9.669630       13.71117 16.32000       50.23526 9.134328       14.25231 26.93837 11.29901 16.27830 6.294228 10.66007       12.93387 
1 1 1 -11 30 11 o 40.17706 4.437538 81.37566       17.16080 -10.63000      53.92720 91.74240       18.10180 24.48834 10.95663 42.69837 4.393806 -18.21003      11.80480 
1 1 1 -11 30 12 o 38.46927 4.532090 74.79693       16.73837 35.59000       53.00832 79.13922       17.64095 30.08004 11.98409 39.55358 4.644898 -9.473539      12.85277 
1 1 1 -11 30 13 o 38.72581 4.807596 76.10110       17.83246 19.31000       51.80322 83.73533       18.99326 27.53999 11.50726 40.62891 4.873050 -13.08893      12.49655 
1 1 1 -11 30 14 o 11.55467 5.265975 -7.794980      13.14627 7.326000       49.87080 -8.924178      13.62830 25.57441 11.00920 11.60228 5.315649 13.97213       12.22532 
1 1 1 -11 30 15 o 59.54696 3.515465 176.3291       20.39914 130.0000       56.25878 183.3423       21.88873 47.23744 12.11130 60.67141 3.703431 -13.43397      12.66487 
1 1 1 -11 30 16 o 32.26112 5.846677 54.24624       17.78305 0.000000       0.000000 54.24624       17.78305 ?        ?        32.26112 5.846677 ?              ?        
1 1 1 -11 30 17 o 62.51764 3.961041 195.3151       24.11456 0.000000       0.000000 195.3151       24.11456 ?        ?        62.51764 3.961041 ?              ?        
1 1 1 -11 30 18 o 62.06301 3.772234 192.2146       22.80772 108.8000       57.03624 208.0918       24.88386 42.65601 12.71022 64.52209 3.959126 -21.86607      13.31256 
1 1 1 -11 30 19 o 65.42667 3.771373 213.7295       24.05007 137.5000       60.29555 228.1520       26.22668 47.70721 12.69151 67.52792 3.985560 -19.82071      13.30260 
1 1 1 -11 30 20 o 81.77085 3.498612 332.9383       27.93802 302.3000       66.55361 339.4922       30.78146 74.15031 9.379115 82.43622 3.825168 -8.285912      10.12915 
1 1 1 -11 30 21 o 49.54184 6.796612 129.4636       32.09090 0.000000       0.000000 129.4636       32.09090 ?        ?        49.54184 6.796612 ?              ?        
1 1 1 -11 30 22 o 66.83659 9.495201 249.8000       60.37315 249.8000       60.37315 0.000000       0.000000 66.83659 9.495201 ?        ?        ?              ?        
1 1 1 -11 30 23 o 74.57510 4.170950 280.1998       30.32502 243.5000       60.79995 292.3528       34.98761 65.51553 9.780001 75.87009 4.734866 -10.35456      10.86588 
1 1 1 -11 30 24 o 48.24607 5.334500 120.4523       24.77169 85.18000       52.43311 130.5873       28.10619 36.84466 12.34594 49.98778 5.855051 -13.14312      13.66397 
1 1 1 -11 30 25 o 54.00620 4.100100 147.6108       21.51230 96.59000       53.74109 157.3462       23.47515 38.76007 12.47372 55.65764 4.343376 -16.89757      13.20828 
1 1 1 -11 30 26 o 71.38884 3.372535 254.9538       23.49976 241.7000       59.29278 257.4237       25.59590 64.80386 9.640641 71.59496 3.664620 -6.791100      10.31365 
1 1 1 -11 30 27 o 68.46987 5.963252 245.8672       39.56754 185.2000       58.72728 296.3000       53.54500 54.87750 11.30927 73.81231 7.515851 -18.93481      13.57894 
1 1 1 -11 30 28 o 33.99810 12.24788 73.20000       52.07749 73.20000       52.07749 0.000000       0.000000 33.99810 12.24788 ?        ?        ?              ?        
1 1 1 -11 30 29 o 27.09624 11.30391 31.19000       49.87134 31.19000       49.87134 0.000000       0.000000 27.09624 11.30391 ?        ?        ?              ?        
1 1 1 -11 30 30 o 67.23748 6.008056 238.6945       39.12516 201.9000       58.11318 269.2000       52.91419 57.54809 10.71068 69.65946 7.899745 -12.11137      13.30882 
1 1 1 -11 30 31 o 36.93166 11.16644 87.65000       43.78406 0.000000       0.000000 87.65000       43.78406 ?        ?        36.93166 11.16644 ?              ?        
1 1 1 -11 30 32 o 45.22849 7.807837 115.2444       33.31700 132.1000       51.24154 102.9000       43.85159 45.04914 11.56304 40.19173 10.88175 4.857407       15.87817 
1 1 1 -11 30 33 o 22.95632 9.072088 24.26000       30.14472 18.94000       46.38380 28.15000       39.66296 24.54936 10.59301 24.96174 10.21387 -0.4123783     14.71513 
1 1 1 -11 30 34 o 35.23386 9.119116 75.05442       31.69067 30.39000       48.34772 108.7000       41.96229 26.16559 11.03618 41.50297 10.36186 -15.33738      15.13821 
1 1 1 -11 30 35 o 24.33509 9.270839 31.67992       30.60770 18.71000       48.57581 40.22000       39.41688 24.50292 10.70385 26.70024 10.42716 -2.197319      14.94316 
1 1 1 -11 30 36 o 23.42210 9.232944 27.27651       31.15256 91.35000       49.82793 -13.84000      39.91552 35.94529 12.03519 19.27882 8.927371 16.66646       14.98479 
1 1 1 -11 30 37 o 17.99647 8.114287 -4.022454      30.21672 -32.20000      47.79408 14.74000       39.00024 19.30573 9.192753 22.40708 9.691113 -3.101347      13.35756 
1 1 1 -11 30 38 o 23.30713 9.237116 26.90984       31.33418 -7.399000      50.30484 48.66000       40.05326 21.86267 10.08779 28.09828 10.62830 -6.235615      14.65347 
1 1 1 -11 30 39 o 20.03504 8.673491 8.760173       31.29961 -2.405000      49.33799 16.28000       40.49046 22.05236 10.10739 22.76295 9.859744 -0.7105865     14.11998 
1 1 1 -11 30 40 o 22.08032 10.14027 -2.755000      49.99457 -2.755000      49.99457 0.000000       0.000000 22.08032 10.14027 ?        ?        ?              ?        
1 1 1 -11 30 41 o 16.29579 7.913906 -47.12000      39.71870 0.000000       0.000000 -47.12000      39.71870 ?        ?        16.29579 7.913906 ?              ?        
1 1 1 -11 30 42 o 19.73059 8.575631 7.867064       30.84643 -31.25000      48.18455 35.03000       40.15254 19.30224 9.202046 25.41506 10.32269 -6.112814      13.82880 
1 1 1 -11 30 43 o 16.45338 7.628013 -13.14622      29.27137 17.08000       44.86987 -35.54000      38.62127 23.26552 10.22185 16.80402 8.071651 6.461506       13.02451 
1 1 1 -11 30 44 o 25.52040 9.351271 39.30695       30.53436 50.09000       46.52806 31.15000       40.46766 27.91989 11.19258 24.62484 10.22026 3.295050       15.15676 
1 1 1 -11 30 45 o 20.54823 8.665482 15.56054       29.79967 -16.79000      45.13494 40.56000       39.67688 19.59959 9.212018 25.90059 10.35177 -6.301004      13.85714 
1 1 1 -11 30 46 o 16.52579 7.649812 -10.75652      29.26988 -23.32000      43.38924 -0.2648000     39.65066 18.55922 8.814878 20.01241 9.130095 -1.453190      12.69097 
1 1 1 -11 30 47 o 19.24941 8.400222 8.919420       29.85050 -4.513000      44.52034 19.89000       40.23426 20.31530 9.414616 22.42984 9.770850 -2.114534      13.56851 
1 1 1 -11 31 1  o 52.38655 3.881831 136.9328       19.76359 149.0000       57.50159 135.3163       21.04575 51.12263 11.73916 51.99854 4.169845 -0.8759079     12.45775 
1 1 1 -11 31 2  o 50.92459 3.953717 129.5325       19.55356 87.48000       56.60162 135.2312       20.83638 39.18718 12.81614 51.99259 4.128117 -12.80541      13.46458 
1 1 1 -11 31 3  o 49.73193 5.486948 125.8649       26.26642 164.1000       57.01466 115.5634       29.59404 54.05943 11.14530 47.23753 6.578706 6.821896       12.94206 
1 1 1 -11 31 4  o 53.56355 5.167818 145.2175       26.75859 219.1000       59.19609 126.2438       29.99838 63.49684 9.842688 49.49385 6.337352 14.00299       11.70643 
1 1 1 -11 31 5  f 58.61457 3.641015 170.9173       20.78665 112.1000       56.12292 180.2686       22.37816 43.90111 12.47518 60.15404 3.820349 -16.25293      13.04704 
1 1 1 -11 31 6  o 44.15883 4.202118 97.88974       17.94451 64.08000       52.54319 102.3538       19.09245 34.69545 12.32500 45.11555 4.378428 -10.42010      13.07961 
1 1 1 -11 31 7  o 53.70882 4.258165 144.5182       22.20281 71.56000       55.17257 158.6167       24.25336 36.16123 12.64807 56.22646 4.442900 -20.06522      13.40571 
1 1 1 -11 31 8  o 10.05948 4.813643 -18.04424      13.44852 -78.84000      49.13728 -13.12140      13.98241 17.80566 8.681996 11.07669 5.180833 6.728970       10.11030 
1 1 1 -11 31 9  o 10.38201 4.893856 -13.77297      12.90381 1.401000       50.73619 -14.82237      13.34255 25.02781 10.93608 10.46358 4.945631 14.56423       12.00238 
1 1 1 -11 31 10 o 53.23603 3.835547 141.4761       19.85263 188.9000       57.07663 134.9490       21.17479 58.40060 10.36426 51.88413 4.205467 6.516468       11.18499 
1 1 1 -11 31 11 o 27.14108 5.886723 38.69049       15.18792 2.449000       51.74198 42.10751       15.88779 25.28257 11.04575 28.32970 5.920498 -3.047129      12.53239 
1 1 1 -11 31 12 o 23.76945 6.509850 29.85498       15.58865 -1.335000      50.93000 33.07906       16.37453 24.63130 10.85357 24.96946 6.600595 -0.3381596     12.70307 
1 1 1 -11 31 13 o 42.29840 4.731877 90.74062       19.25600 -42.66000      52.43388 111.5368       20.70259 21.03140 9.898690 47.00069 4.557139 -25.96929      10.89732 
1 1 1 -11 31 14 o 15.15135 6.053855 6.441488       13.56585 21.70000       50.71581 5.265614       14.07887 27.38669 11.41013 15.02240 6.108468 12.36428       12.94235 
1 1 1 -11 31 15 o 34.52938 5.303632 61.48897       17.35306 0.000000       0.000000 61.48897       17.35306 ?        ?        34.52938 5.303632 ?              ?        
1 1 1 -11 31 16 o 23.46530 7.053704 29.05204       17.50778 0.000000       0.000000 29.05204       17.50778 ?        ?        23.46530 7.053704 ?              ?        
1 1 1 -11 31 17 o 33.25289 5.746062 57.80460       18.02657 86.16000       50.96949 53.75068       19.27215 38.03103 12.13864 31.81057 6.411185 6.220457       13.72771 
1 1 1 -11 31 18 o 65.29746 3.739820 213.2486       23.80307 186.3000       55.85503 219.2289       26.31195 57.16095 10.36445 66.07256 4.088446 -8.911610      11.14169 
1 1 1 -11 31 19 f 77.47156 3.547010 299.5697       26.82607 277.4000       60.42914 305.0110       29.93769 71.05243 8.882332 77.99983 3.933895 -6.947403      9.714492 
1 1 1 -11 31 20 o 63.42369 6.222433 209.8969       38.13274 240.8000       58.60001 187.2000       50.22027 65.53757 9.403886 57.86071 9.172890 7.676868       13.13678 
1 1 1 -11 31 21 o 84.94987 4.288999 364.3432       35.54819 293.3000       64.15826 395.8145       42.70207 72.27791 9.282662 88.09280 4.972435 -15.81489      10.53057 
1 1 1 -11 31 22 o 53.01245 5.529601 145.9349       28.27177 68.70000       53.28298 176.1996       33.35413 33.71975 12.35339 58.03955 5.955485 -24.31980      13.71401 
1 1 1 -11 31 23 o 26.94529 8.590228 40.50174       25.53174 0.000000       0.000000 40.50174       25.53174 ?        ?        26.94529 8.590228 ?              ?        
1 1 1 -11 31 24 o 55.44481 5.775680 160.8172       30.88616 91.30000       54.11717 194.4000       37.61378 37.49556 12.54231 60.54689 6.445681 -23.05132      14.10165 
1 1 1 -11 31 25 o 31.03254 6.273469 52.06387       18.39997 -1.841000      51.47564 59.96025       19.70162 23.54813 10.60646 33.36358 6.262806 -9.815456      12.31746 
1 1 1 -11 31 26 o 58.68217 3.633964 173.4030       20.77098 109.3000       55.75351 183.7340       22.38223 40.40366 12.67051 60.32805 3.809795 -19.92439      13.23089 
1 1 1 -11 31 27 f 29.82091 11.73692 49.76000       50.27122 49.76000       50.27122 0.000000       0.000000 29.82091 11.73692 ?        ?        ?              ?        
1 1 1 -11 31 28 o 17.82246 8.131267 -10.96235      31.45308 -39.87000      45.94706 14.53000       43.14757 18.83041 8.979542 23.77555 10.23760 -4.945137      13.61766 
1 1 1 -11 31 29 o 58.98878 9.012633 201.4000       50.39011 0.000000       0.000000 201.4000       50.39011 ?        ?        58.98878 9.012633 ?              ?        
1 1 1 -11 31 30 o 29.39972 10.88429 51.66000       41.54478 0.000000       0.000000 51.66000       41.54478 ?        ?        29.39972 10.88429 ?              ?        
1 1 1 -11 31 31 o 47.89193 7.334622 127.6725       33.29007 101.8000       50.75978 147.2000       44.09843 38.58801 12.08812 49.65827 9.416955 -11.07026      15.32324 
1 1 1 -11 31 32 o 15.24920 7.225961 -25.48022      28.82894 10.33000       46.30920 -48.14000      36.83763 23.39884 10.32838 15.70490 7.625679 7.693944       12.83847 
1 1 1 -11 31 33 o 21.78012 8.955890 18.56998       30.68572 -0.2694000     47.01622 32.55000       40.50125 22.17964 10.04928 25.52004 10.36665 -3.340399      14.43799 
1 1 1 -11 31 34 o 41.64454 8.519035 102.7187       33.55416 79.20000       52.46182 119.0000       43.64971 33.40625 12.25467 42.99099 10.47133 -9.584747      16.11911 
1 1 1 -11 31 35 o 18.60300 8.294267 -0.2764333     30.61894 12.55000       49.49742 -8.227000      38.96984 23.70293 10.55832 19.57641 8.976390 4.126522       13.85834 
1 1 1 -11 31 36 o 17.54079 7.996093 -7.673216      30.33494 -1.599000      48.60049 -11.55000      38.82678 22.07523 10.08528 19.18147 8.854872 2.893764       13.42094 
1 1 1 -11 31 37 o 33.38632 9.520310 70.44051       32.62860 54.00000       52.32620 80.90000       41.73660 29.12297 11.80042 34.50754 10.98101 -5.384567      16.11932 
1 1 1 -11 31 38 o 43.75269 12.44197 139.3000       55.80440 139.3000       55.80440 0.000000       0.000000 43.75269 12.44197 ?        ?        ?              ?        
1 1 1 -11 31 39 o 31.71772 9.683248 64.54678       32.81704 60.03000       51.57310 67.62000       42.54084 29.82529 11.84088 31.44426 11.09758 -1.618971      16.22845 
1 1 1 -11 31 40 o 28.94701 10.87390 54.81000       41.76384 0.000000       0.000000 54.81000       41.76384 ?        ?        28.94701 10.87390 ?              ?        
1 1 1 -11 31 41 o 16.13441 7.541041 -16.65551      29.53659 -7.511000      45.27724 -23.43000      38.97068 20.67223 9.549853 17.90025 8.458074 2.771980       12.75691 
1 1 1 -11 31 42 o 18.49879 8.191847 2.505212       29.35924 23.48000       44.80303 -13.28000      38.86725 24.00752 10.38520 18.79508 8.739707 5.212440       13.57332 
1 1 1 -11 31 43 o 23.10046 9.081033 28.62096       30.06276 26.38000       45.19065 30.40000       40.26476 24.28797 10.46788 24.37972 10.16277 -0.9174347E-01 14.58966 
1 1 1 -11 31 44 o 27.33298 9.429623 48.13388       30.61525 46.87000       46.11440 49.13000       40.93914 27.02088 11.02971 27.31485 10.63822 -0.2939682     15.32404 
1 1 1 -11 31 45 o 23.52184 9.134054 32.19499       30.11127 63.59000       45.35668 7.454000       40.26424 29.42295 11.26681 20.91839 9.404800 8.504559       14.67622 
1 1 1 -11 31 46 o 18.40627 8.234309 2.771024       30.44783 12.65000       45.38705 -5.313000      41.05724 22.07193 9.948920 19.54831 9.052856 2.523621       13.45122 
1 1 1 -11 32 1  o 71.98319 3.467953 257.3867       24.36302 271.5000       64.02108 254.9968       26.34518 70.75067 9.483150 71.55023 3.775055 -0.7995605     10.20692 
1 1 1 -11 32 2  o 51.07016 4.000549 130.5611       19.83880 129.9000       57.78724 130.6494       21.12256 46.96420 12.39273 51.00906 4.269650 -4.044865      13.10762 
1 1 1 -11 32 3  o 52.79627 3.932115 139.3928       20.17465 89.43000       55.39200 147.0342       21.66255 39.19514 12.66831 54.17731 4.115738 -14.98217      13.32012 
1 1 1 -11 32 4  o 18.09082 6.662642 13.84561       15.53204 -7.331000      51.46897 15.96734       16.29157 24.09224 10.74687 18.95812 6.847691 5.134117       12.74308 
1 1 1 -11 32 5  o 19.79699 7.957542 11.62413       23.58506 -7.091000      49.53766 17.10985       26.81982 23.67404 10.55293 21.83088 8.578680 1.843163       13.59993 
1 1 1 -11 32 6  o 56.98970 3.717628 162.0152       20.62488 176.0000       56.75197 159.8871       22.13861 55.86353 10.76918 56.52008 4.028071 -0.6565552     11.49785 
1 1 1 -11 32 7  o 49.23715 4.047532 121.5652       19.33487 132.6000       54.25551 119.9600       20.69348 47.72751 11.70451 48.81013 4.377736 -1.082623      12.49641 
1 1 1 -11 32 8  o 16.71899 6.457902 9.975176       14.99172 -8.771000      50.32734 11.80060       15.70468 23.61884 10.57485 17.49261 6.646290 6.126232       12.49002 
1 1 1 -11 32 9  o 56.73504 4.040637 161.2265       22.29234 191.8000       57.42072 155.8006       24.18970 58.51289 10.40703 55.62160 4.480938 2.891296       11.33072 
1 1 1 -11 32 10 o 28.91518 5.909580 43.96150       16.16051 18.34000       52.15431 46.68277       16.99706 27.13657 11.45494 29.77901 6.038072 -2.642433      12.94890 
1 1 1 -11 32 11 o 77.60217 3.920940 300.8069       29.68661 226.7000       61.81265 323.0249       33.84548 63.69675 10.26277 80.25035 4.324688 -16.55360      11.13676 
1 1 1 -11 32 12 o 47.02905 4.125247 111.2982       18.79776 38.72000       52.66599 121.8941       20.12321 29.91232 11.93603 49.20192 4.219080 -19.28959      12.65976 
1 1 1 -11 32 13 o 13.35801 5.724072 0.2488339      13.36630 -10.68000      49.83456 1.095980       13.87468 23.09188 10.41535 13.80233 5.870719 9.289550       11.95595 
1 1 1 -11 32 14 o 21.30515 6.717572 23.52728       15.65084 0.000000       0.000000 23.52728       15.65084 ?        ?        21.30515 6.717572 ?              ?        
1 1 1 -11 32 15 o 40.02184 4.734447 81.83064       18.18824 22.40000       50.61413 90.64308       19.49013 27.00229 11.33469 42.11826 4.813933 -15.11597      12.31459 
1 1 1 -11 32 16 o 42.39279 4.707658 91.77348       19.20554 78.82000       49.28318 94.09289       20.85422 36.19316 11.96514 42.78928 5.078020 -6.596119      12.99811 
1 1 1 -11 32 17 o 40.83186 4.830261 85.51679       18.93190 127.3000       48.77787 78.10620       20.54227 46.23571 10.94828 38.70557 5.583348 7.530132       12.28978 
1 1 1 -11 32 18 f 36.64246 7.797727 74.21399       27.10824 97.14000       47.88649 63.40236       32.88474 39.70065 11.59873 33.08249 9.596408 6.618153       15.05395 
1 1 1 -11 32 19 o 58.46267 4.001009 172.5215       22.75771 125.0000       50.83956 184.4301       25.44994 44.96327 11.50532 60.29529 4.341243 -15.33202      12.29711 
1 1 1 -11 32 20 o 20.76101 7.373420 21.22117       18.80439 40.04000       44.24043 17.07151       20.77444 28.20071 11.03694 19.98563 7.631990 8.215088       13.41870 
1 1 1 -11 32 21 o 17.60011 7.638832 1.206326       24.40376 63.12000       47.09184 -21.52492      28.53409 32.41465 11.65072 15.80609 7.395523 16.60856       13.79975 
1 1 1 -11 32 22 o 39.56546 7.144886 85.67297       26.65251 22.34000       49.60329 111.3791       31.60192 26.06511 11.09394 45.05342 7.424434 -18.98832      13.34907 
1 1 1 -11 32 23 o 40.34048 6.313727 87.26160       24.11363 22.64000       49.56121 107.3034       27.60079 25.97787 11.07408 44.69978 6.498467 -18.72190      12.83999 
1 1 1 -11 32 24 o 56.88264 4.696076 166.1348       25.91422 47.75000       54.01899 201.5235       29.53460 29.82740 12.02415 62.57986 4.859652 -32.75246      12.96905 
1 1 1 -11 32 25 o 51.60424 4.409596 136.2774       22.06037 0.000000       0.000000 136.2774       22.06037 ?        ?        51.60424 4.409596 ?              ?        
1 1 1 -11 32 26 o 38.27251 12.04625 97.10000       50.34978 97.10000       50.34978 0.000000       0.000000 38.27251 12.04625 ?        ?        ?              ?        
1 1 1 -11 32 27 o 30.40714 9.701736 55.66330       32.56118 83.38000       48.27550 32.53000       44.10368 35.53955 11.84519 26.36430 10.77710 9.175255       16.01419 
1 1 1 -11 32 28 o 46.62530 10.72772 136.5000       47.94069 0.000000       0.000000 136.5000       47.94069 ?        ?        46.62530 10.72772 ?              ?        
1 1 1 -11 32 29 o 17.05246 7.868260 -14.04382      30.60353 -43.59000      47.43875 7.018000       40.05258 18.68268 8.966653 21.92278 9.643847 -3.240101      13.16832 
1 1 1 -11 32 30 o 47.47960 7.648623 127.0789       34.33907 72.14000       51.38901 171.4000       46.15680 32.81499 12.11313 53.92195 9.066472 -21.10696      15.13039 
1 1 1 -11 32 31 o 19.31649 8.451192 4.144162       30.38337 -31.71000      48.08078 27.98000       39.20279 19.56367 9.288272 24.63466 10.12548 -5.070990      13.74035 
1 1 1 -11 32 32 o 24.65376 9.286090 33.66428       30.50234 51.24000       49.91573 23.19000       38.53391 28.86724 11.58583 23.62936 9.902518 5.237875       15.24111 
1 1 1 -11 32 33 o 33.39544 9.360517 69.61411       31.82090 53.88000       51.19468 79.52000       40.62097 29.21080 11.73001 34.48410 10.81531 -5.273300      15.95506 
1 1 1 -11 32 34 o 20.20912 8.689380 10.22513       30.99864 -53.12000      50.36287 48.86000       39.33178 18.34556 8.909843 27.98747 10.54414 -9.641916      13.80449 
1 1 1 -11 32 35 o 25.18256 9.435697 36.29640       31.40443 18.08000       50.04430 48.13000       40.33498 24.33386 10.73914 27.89826 10.63909 -3.564400      15.11686 
1 1 1 -11 32 36 o 25.78410 9.443369 39.57199       31.13300 45.17000       50.18620 36.07000       39.69399 27.62232 11.41528 25.58392 10.30946 2.038404       15.38160 
1 1 1 -11 32 37 o 23.95344 10.66724 15.79000       50.49140 15.79000       50.49140 0.000000       0.000000 23.95344 10.66724 ?        ?        ?              ?        
1 1 1 -11 32 38 o 27.56621 9.555191 47.48656       31.45114 45.07000       49.70650 49.10000       40.61531 27.50457 11.36302 27.85862 10.66320 -0.3540421     15.58275 
1 1 1 -11 32 39 o 20.30873 9.180808 -0.1905000E-02 38.97752 0.000000       0.000000 -0.1905000E-02 38.97752 ?        ?        20.30873 9.180808 ?              ?        
1 1 1 -11 32 40 o 18.91190 8.303316 5.060597       29.56072 11.80000       44.37917 -0.3143000     39.63269 22.49063 10.00920 20.30729 9.211107 2.183336       13.60252 
1 1 1 -11 32 41 o 27.86674 9.422961 49.27919       30.54182 27.68000       46.39334 65.80000       40.57445 24.67142 10.61943 30.89241 10.84342 -6.220993      15.17735 
1 1 1 -11 32 42 o 28.45607 9.448278 52.41928       30.72119 96.44000       47.38134 20.49000       40.35276 35.95928 11.72369 22.85068 9.870289 13.10859       15.32539 
1 1 1 -11 32 43 o 37.75591 8.831493 89.65679       32.05366 39.38000       46.46694 135.3000       44.27397 25.81602 10.85004 44.92137 10.29055 -19.10534      14.95389 
1 1 1 -11 32 44 o 24.26068 9.245739 36.06194       30.44895 13.21000       44.71527 55.82000       41.57829 22.10481 9.926838 28.05939 10.77652 -5.954580      14.65181 
1 1 1 -11 32 45 o 27.67525 11.15667 56.03000       46.50631 56.03000       46.50631 0.000000       0.000000 27.67525 11.15667 ?        ?        ?              ?        
1 1 1 -11 33 1  o 57.67101 3.830639 166.3287       21.50138 95.29000       57.60545 177.8277       23.17634 39.84151 12.92233 59.58375 3.996965 -19.74223      13.52635 
1 1 1 -11 33 2  o 65.00320 3.584339 210.6016       22.71777 192.1000       60.12361 213.6831       24.53677 57.95479 11.00089 65.38802 3.850702 -7.433235      11.65536 
1 1 1 -11 33 3  f 31.15716 5.801482 50.84930       17.04217 36.81000       52.16459 52.52681       18.03160 29.59898 11.85612 31.59750 6.050350 -1.998514      13.31068 
1 1 1 -11 33 4  o 14.11013 6.064474 0.2765361E-01  15.08733 39.37000       50.72383 -3.790823      15.80254 29.77900 11.76820 13.61694 6.020957 16.16206       13.21902 
1 1 1 -11 33 5  o 20.15623 6.813043 20.03461       15.96618 9.180000       50.74918 21.22702       16.82030 25.57238 11.05750 20.69812 6.992912 4.874262       13.08316 
1 1 1 -11 33 6  o 34.62776 7.819155 65.36313       25.87360 91.08000       54.00200 57.70060       29.47725 38.95105 12.50099 32.17911 9.005478 6.771938       15.40693 
1 1 1 -11 33 7  o 55.88693 3.901063 156.5771       21.20626 98.32000       56.42843 166.1580       22.88369 40.16156 12.76691 57.51176 4.091748 -17.35020      13.40658 
1 1 1 -11 33 8  o 21.46958 6.598564 24.07551       15.20660 24.62000       51.38164 24.02324       15.91977 27.53332 11.47906 21.51292 6.773963 6.020395       13.32874 
1 1 1 -11 33 9  o 49.32761 5.042698 124.3047       24.00557 112.7000       53.72125 127.2000       26.83365 43.01144 12.19964 49.65851 5.619135 -6.647064      13.43152 
1 1 1 -11 33 10 o 33.75102 6.401896 60.54423       20.37597 34.84000       50.51104 65.54000       22.26820 28.74714 11.61346 35.01091 6.742530 -6.263775      13.42886 
1 1 1 -11 33 11 o 19.62968 6.646520 19.11308       15.19551 50.13000       48.07943 15.67105       16.01647 30.85932 11.65087 18.64901 6.782054 12.21032       13.48106 
1 1 1 -11 33 12 f 67.77653 3.933549 230.6755       25.98363 0.000000       0.000000 230.6755       25.98363 ?        ?        67.77653 3.933549 ?              ?        
1 1 1 -11 33 13 o 51.81888 4.242095 135.8504       21.32849 0.000000       0.000000 135.8504       21.32849 ?        ?        51.81888 4.242095 ?              ?        
1 1 1 -11 33 14 o 62.38123 3.691980 195.1870       22.44259 155.6000       53.81284 203.5220       24.69247 50.98825 11.09803 63.57633 3.988008 -12.58808      11.79282 
1 1 1 -11 33 15 o 24.99402 6.612112 33.94265       16.42376 26.14000       46.36474 35.06220       17.56254 26.42584 10.95117 25.34599 6.896703 1.079847       12.94190 
1 1 1 -11 33 16 o 22.26899 6.945137 26.52557       16.77510 74.34000       45.12955 18.85999       18.06982 34.76606 11.44792 19.92891 7.209914 14.83714       13.52914 
1 1 1 -11 33 17 o 55.97761 4.519848 159.8147       24.55492 114.3000       50.31446 174.0441       28.13262 42.56480 11.71051 58.18008 4.988121 -15.61528      12.72860 
1 1 1 -11 33 18 o 37.97553 5.636960 75.91750       20.31853 85.17000       47.32661 73.82670       22.49742 36.72940 11.69388 37.06182 6.434843 -0.3324280     13.34744 
1 1 1 -11 33 19 o 54.82607 4.260686 152.8715       22.68572 70.82000       49.43469 174.7605       25.53300 33.69583 11.95637 58.51989 4.491848 -24.82406      12.77229 
1 1 1 -11 33 20 o 67.42498 3.827688 229.3902       25.15800 171.5000       53.42879 245.8821       28.51725 53.23144 10.62658 69.59953 4.205584 -16.36808      11.42853 
1 1 1 -11 33 21 o 28.79142 8.547996 47.72259       25.83413 53.81000       45.74773 44.87244       31.30307 30.32610 11.38310 27.97568 9.538677 2.350414       14.85131 
1 1 1 -11 33 22 o 52.12500 4.426324 139.0635       22.37035 158.7000       51.65623 134.5308       24.81832 50.84856 10.71704 50.93478 5.044141 -0.8622360E-01 11.84476 
1 1 1 -11 33 23 o 23.37983 7.996707 29.45785       22.00386 45.24000       47.18567 25.07217       24.87399 28.77954 11.35747 22.53712 8.407004 6.242420       14.13046 
1 1 1 -11 33 24 o 18.08131 7.749810 4.689457       24.51116 29.69000       47.64063 -4.311000      28.58479 26.39368 11.03228 17.82500 7.976038 8.568682       13.61354 
1 1 1 -11 33 25 o 65.05020 3.898673 214.5933       24.71008 178.5000       55.84812 223.3789       27.55385 53.25642 11.07492 66.13885 4.279142 -12.88243      11.87287 
1 1 1 -11 33 26 o 36.31332 9.345699 79.70887       33.41240 39.92000       50.09238 111.6000       44.84622 27.84939 11.44614 41.79569 10.86344 -13.94630      15.78064 
1 1 1 -11 33 27 o 31.49983 11.16192 63.70000       43.07075 0.000000       0.000000 63.70000       43.07075 ?        ?        31.49983 11.16192 ?              ?        
1 1 1 -11 33 28 o 37.29456 12.35050 97.50000       52.50212 97.50000       52.50212 0.000000       0.000000 37.29456 12.35050 ?        ?        ?              ?        
1 1 1 -11 33 29 o 38.60529 8.887123 89.46911       32.88684 23.01000       48.01464 148.2000       45.13668 24.97992 10.77821 49.19210 9.718886 -24.21218      14.51298 
1 1 1 -11 33 30 o 22.39954 9.049545 22.58481       30.67178 -31.51000      46.58786 63.97000       40.74905 19.14094 9.103424 31.16396 10.87187 -12.02302      14.17991 
1 1 1 -11 33 31 o 28.13396 9.587399 48.98412       31.62296 -10.52000      49.09055 91.19000       41.34385 21.32603 9.884061 36.98412 10.76941 -15.65810      14.61762 
1 1 1 -11 33 32 o 27.60130 9.613785 47.22359       31.85693 20.04000       51.62555 63.94000       40.48394 24.66100 10.89445 30.92063 10.83299 -6.259630      15.36368 
1 1 1 -11 33 33 o 24.22597 9.312222 32.10205       31.06515 20.28000       50.00973 39.53000       39.64079 24.52770 10.78341 26.26155 10.39544 -1.733854      14.97822 
1 1 1 -11 33 34 o 24.11632 9.267220 32.04458       30.75906 53.95000       50.03863 18.74000       38.99692 28.88467 11.59758 22.79739 9.773245 6.087278       15.16642 
1 1 1 -11 33 35 o 24.55274 9.384246 34.00891       31.42673 61.60000       51.36406 17.50000       39.73142 30.01123 11.84777 22.70076 9.799717 7.310474       15.37544 
1 1 1 -11 33 36 o 29.02628 11.72541 55.76000       51.48550 55.76000       51.48550 0.000000       0.000000 29.02628 11.72541 ?        ?        ?              ?        
1 1 1 -11 33 37 o 23.13192 9.131536 27.83873       30.51092 -15.48000      47.35722 58.58000       39.89415 20.33033 9.517281 29.60181 10.71243 -9.271475      14.32951 
1 1 1 -11 33 38 o 25.62320 10.32780 37.48000       39.84586 0.000000       0.000000 37.48000       39.84586 ?        ?        25.62320 10.32780 ?              ?        
1 1 1 -11 33 39 f 29.64862 9.414138 56.58725       30.68970 74.32000       46.50794 42.91000       40.84497 31.98221 11.56740 26.48241 10.52986 5.499804       15.64233 
1 1 1 -11 33 40 o 36.24676 8.897326 82.06879       31.32934 151.5000       48.57954 32.63000       40.99302 47.52646 10.70113 24.78011 10.28569 22.74635       14.84283 
1 1 1 -11 33 41 o 20.72419 8.688210 17.13010       29.67946 58.84000       45.36613 -14.08000      39.24278 28.91090 11.21574 18.59399 8.691148 10.31691       14.18904 
1 1 1 -11 33 42 o 19.21195 8.373374 8.868426       29.58052 -37.24000      43.87254 47.30000       40.05408 17.55132 8.473909 26.70217 10.48649 -9.150850      13.48235 
1 1 1 -11 33 43 o 26.08508 9.310969 44.55198       30.02117 47.88000       44.53456 41.78000       40.64430 26.55005 10.83852 25.51728 10.37775 1.032772       15.00571 
1 1 1 -11 34 1  o 74.40938 3.488120 276.3476       25.33465 169.7000       59.38323 300.0781       28.01184 53.10275 11.73726 77.44904 3.705794 -24.34628      12.30837 
1 1 1 -11 34 2  o 40.59597 4.834180 84.44662       18.83242 81.31000       53.03054 84.89927       20.14552 36.57728 12.41622 40.56997 5.191866 -3.992683      13.45801 
1 1 1 -11 34 3  o 64.23634 3.737468 206.7400       23.39832 80.89000       55.81423 233.5731       25.77232 36.44842 12.72327 68.23217 3.874779 -31.78375      13.30021 
1 1 1 -11 34 4  o 49.84454 4.191157 125.5630       20.25910 99.60000       52.47506 130.1106       21.96181 40.09445 12.24549 50.63387 4.477286 -10.53942      13.03833 
1 1 1 -11 34 5  o 17.12221 6.619965 10.96895       15.76464 64.25000       49.40947 4.930195       16.63403 33.28453 11.93757 15.81411 6.557011 17.47042       13.61984 
1 1 1 -11 34 6  o 34.84847 5.325762 63.21767       17.59074 13.61000       49.32564 70.44615       18.82877 25.41389 10.94457 36.79879 5.386880 -11.38490      12.19844 
1 1 1 -11 34 7  f 50.39430 5.942704 132.5650       28.75070 143.3000       54.23202 128.3685       33.90778 48.54664 11.57623 48.82447 7.320435 -0.2778320     13.69664 
1 1 1 -11 34 8  f 13.20342 5.952701 -6.589689      16.25820 21.54000       48.28725 -10.18636      17.26634 26.19588 11.03803 13.04461 5.978986 13.15127       12.55334 
1 1 1 -11 34 9  o 15.41793 6.288305 5.958382       14.97414 39.98000       47.36300 2.180082       15.78374 28.73569 11.36670 14.79396 6.275829 13.94173       12.98414 
1 1 1 -11 34 10 o 30.56827 6.258770 50.19402       18.09600 48.05000       47.13116 50.56473       19.59811 29.96356 11.48227 30.49277 6.745164 -0.5292130     13.31690 
1 1 1 -11 34 11 o 19.27408 7.070284 17.05515       17.46261 0.000000       0.000000 17.05515       17.46261 ?        ?        19.27408 7.070284 ?              ?        
1 1 1 -11 34 12 o 25.89194 6.543981 36.56650       16.58996 23.00000       47.56125 38.44579       17.70176 25.98590 10.95244 26.47976 6.796000 -0.4938564     12.88959 
1 1 1 -11 34 13 o 23.77226 6.801287 30.82318       16.62552 35.21000       45.47003 30.14619       17.86235 27.45536 11.04443 23.53697 7.135577 3.918385       13.14899 
1 1 1 -11 34 14 o 47.28603 4.344749 114.0113       19.88500 97.17000       49.00304 117.3312       21.75683 39.04437 11.81492 47.80969 4.710260 -8.765320      12.71924 
1 1 1 -11 34 15 o 36.13585 6.512927 70.54958       22.18946 124.0000       47.59641 55.70648       25.08193 44.87076 10.93774 31.29876 8.118858 13.57200       13.62167 
1 1 1 -11 34 16 o 59.10326 5.152605 180.7226       29.51111 170.6000       51.79419 185.5886       35.91034 53.44459 10.27395 59.12999 6.301457 -5.685406      12.05249 
1 1 1 -11 34 17 o 25.60600 7.235685 36.48750       18.93378 5.715000       44.75964 43.19387       20.89533 23.02543 10.15923 27.72003 7.514315 -4.694605      12.63625 
1 1 1 -11 34 18 o 45.81044 4.844085 108.4925       21.39251 125.0000       48.28440 104.4607       23.86236 44.63811 11.09808 44.55655 5.594370 0.8156204E-01  12.42837 
1 1 1 -11 34 19 o 24.27224 7.405906 32.68367       19.19977 5.104000       44.34679 39.04579       21.29947 22.78445 10.07987 26.30174 7.749532 -3.517292      12.71452 
1 1 1 -11 34 20 o 34.43518 6.379005 64.42465       20.70953 87.25000       45.61706 58.49895       23.24279 36.70718 11.45354 32.20088 7.512344 4.506298       13.69740 
1 1 1 -11 34 21 o 34.68986 7.903643 68.63996       26.23637 44.20000       43.34806 82.76869       32.95877 28.24344 10.96161 37.37766 9.095970 -9.134212      14.24407 
1 1 1 -11 34 22 o 23.55182 7.622607 30.65613       20.05052 37.03000       45.72878 29.13909       22.30939 27.17073 11.02339 23.23473 8.047899 3.936003       13.64858 
1 1 1 -11 34 23 o 46.22910 6.812716 117.0986       29.90463 64.15000       49.61993 147.3000       37.47506 31.62208 11.85809 51.20399 7.716558 -19.58191      14.14778 
1 1 1 -11 34 24 o 33.64235 5.915584 61.12938       18.76926 21.24000       47.17819 68.63004       20.45795 24.91461 10.71632 35.59495 6.090554 -10.68033      12.32616 
1 1 1 -11 34 25 o 33.60753 11.01086 73.96000       41.77050 0.000000       0.000000 73.96000       41.77050 ?        ?        33.60753 11.01086 ?              ?        
1 1 1 -11 34 26 o 27.65813 10.69695 44.28000       41.17153 0.000000       0.000000 44.28000       41.17153 ?        ?        27.65813 10.69695 ?              ?        
1 1 1 -11 34 27 o 21.83546 8.995726 18.85162       31.03652 -14.05000      48.53711 41.61000       40.36788 21.05620 9.782759 26.96482 10.54588 -5.908623      14.38464 
1 1 1 -11 34 28 o 39.35150 8.764381 93.26363       32.89281 71.87000       50.90379 108.6000       43.09920 32.09174 12.01542 40.64132 10.69219 -8.549587      16.08394 
1 1 1 -11 34 29 o 30.07822 10.89038 59.54000       41.23728 0.000000       0.000000 59.54000       41.23728 ?        ?        30.07822 10.89038 ?              ?        
1 1 1 -11 34 30 o 32.48899 12.03817 75.96000       50.83969 75.96000       50.83969 0.000000       0.000000 32.48899 12.03817 ?        ?        ?              ?        
1 1 1 -11 34 31 o 42.51872 8.554036 108.2925       34.36615 91.56000       54.11739 119.6000       44.48762 34.92417 12.49716 42.47329 10.70588 -7.549114      16.45584 
1 1 1 -11 34 32 o 26.98252 9.607868 44.84607       31.94733 46.65000       51.25554 43.70000       40.85407 27.86150 11.52728 26.94857 10.58846 0.9129219      15.65227 
1 1 1 -11 34 33 o 16.15158 7.568003 -18.00590      30.06054 -15.09000      48.79055 -19.79000      38.16449 20.64805 9.664142 18.06391 8.484136 2.584143       12.85987 
1 1 1 -11 34 34 o 19.32001 9.198831 -28.94000      47.83818 -28.94000      47.83818 0.000000       0.000000 19.32001 9.198831 ?        ?        ?              ?        
1 1 1 -11 34 35 o 15.06799 7.190931 -27.14171      29.58475 -49.40000      46.01716 -11.46000      38.62520 17.50994 8.506952 18.94288 8.775324 -1.432945      12.22189 
1 1 1 -11 34 36 o 23.61512 9.956479 25.20000       39.32534 0.000000       0.000000 25.20000       39.32534 ?        ?        23.61512 9.956479 ?              ?        
1 1 1 -11 34 37 o 25.35813 9.381433 38.97863       30.85453 15.26000       46.90545 57.07000       40.96513 23.12857 10.29181 29.00928 10.79520 -5.880709      14.91502 
1 1 1 -11 34 38 o 36.06084 8.909062 81.37245       31.26087 101.8000       47.31711 65.55000       41.64347 37.23070 11.67217 30.60679 10.96146 6.623905       16.01228 
1 1 1 -11 34 39 o 15.52617 7.316987 -19.06394      28.81513 -82.16000      43.62727 29.76000       38.37720 14.99471 7.469038 23.92408 9.943089 -8.929367      12.43590 
1 1 1 -11 34 40 o 21.15047 8.732891 20.30106       29.33612 36.11000       43.90065 7.546000       39.43308 25.12523 10.55210 20.84773 9.345354 4.277494       14.09547 
1 1 1 -11 34 41 f 32.38722 9.340879 69.78613       31.23947 11.96000       45.14854 122.9000       43.26987 21.98812 9.915898 41.96201 10.54795 -19.97390      14.47702 
1 1 1 -11 34 42 o 15.86839 7.422215 -13.91234      28.70089 -38.16000      42.76383 5.962000       38.71579 17.11625 8.288573 20.29727 9.165201 -3.181021      12.35724 
1 1 1 -11 35 1  o 41.22432 4.822208 87.58744       19.09111 32.86000       49.68926 97.06524       20.67825 27.65638 11.38689 43.36062 4.961268 -15.70424      12.42076 
1 1 1 -11 35 2  o 16.90939 6.655314 10.12628       16.16421 -12.48000      47.34644 13.10881       17.19749 21.78067 9.952083 18.04007 6.930140 3.740606       12.12727 
1 1 1 -11 35 3  o 40.27201 4.778734 83.58851       18.47068 66.47000       48.34632 86.51419       19.98684 33.06347 11.81424 40.83531 5.112072 -7.771843      12.87282 
1 1 1 -11 35 4  o 25.61265 6.690372 35.90828       16.95356 54.22000       47.61009 33.24915       18.14281 30.81468 11.60265 24.61661 7.124167 6.198071       13.61526 
1 1 1 -11 35 5  o 43.56741 4.559677 97.27856       19.15709 138.8000       50.30787 90.23655       20.71802 47.64838 11.00797 41.67059 5.191690 5.977791       12.17083 
1 1 1 -11 35 6  o 21.90811 7.100361 25.46866       17.39365 31.96000       47.03313 24.44022       18.72087 27.12015 11.11265 21.70376 7.377036 5.416384       13.33835 
1 1 1 -11 35 7  o 40.04840 5.496356 84.07105       20.97821 -39.82000      48.16124 113.0814       23.30528 19.51511 9.274081 46.69257 5.186583 -27.17747      10.62588 
1 1 1 -11 35 8  o 19.10530 8.015593 8.220818       25.29135 10.45000       45.32132 7.212664       30.47847 23.86058 10.38245 20.26969 8.663720 3.590891       13.52240 
1 1 1 -11 35 9  o 17.50639 6.669429 12.63855       15.84068 -72.99000      49.38885 22.45723       16.72423 17.58379 8.601844 20.80631 6.972608 -3.222527      11.07289 
1 1 1 -11 35 10 o 38.65850 5.456113 78.46629       20.07255 0.000000       0.000000 78.46629       20.07255 ?        ?        38.65850 5.456113 ?              ?        
1 1 1 -11 35 11 o 85.39521 3.870686 367.7682       32.26986 309.0000       63.01802 388.6554       37.56933 73.78672 8.905184 87.41326 4.405061 -13.62654      9.935133 
1 1 1 -11 35 12 o 12.14132 5.599634 -10.13999      15.47473 14.83000       45.60125 -13.38970      16.45092 24.32095 10.49891 12.09091 5.643499 12.23003       11.91957 
1 1 1 -11 35 13 o 31.90736 9.647565 60.90644       32.68272 113.7000       48.23326 16.09000       44.44008 42.21589 11.40508 24.24214 10.41351 17.97375       15.44400 
1 1 1 -11 35 14 o 41.81565 7.184592 96.26404       28.34737 124.8000       50.64651 83.24627       34.20751 44.06198 11.58991 37.41970 9.363029 6.642281       14.89941 
1 1 1 -11 35 15 o 50.27029 4.514267 129.7069       21.97660 71.94000       50.72322 143.0568       24.38412 33.44536 12.08246 52.66531 4.782253 -19.21996      12.99445 
1 1 1 -11 35 16 o 24.07771 7.315325 32.20715       18.75968 49.67000       45.23014 28.57893       20.61660 29.33102 11.24619 22.98746 7.741926 6.343561       13.65336 
1 1 1 -11 35 17 o 65.52105 3.837591 217.2699       24.50419 144.1000       50.89046 239.3547       27.95873 47.79379 11.09252 68.56915 4.185586 -20.77537      11.85594 
1 1 1 -11 35 18 o 16.72687 6.967086 6.499364       18.90161 -37.07000      41.09441 18.19017       21.28699 17.77864 8.481915 20.15406 7.718318 -2.375420      11.46801 
1 1 1 -11 35 19 o 44.19515 5.017314 101.8927       21.32096 80.00000       45.41329 108.0826       24.14770 34.94272 11.48274 45.21656 5.573813 -10.27384      12.76404 
1 1 1 -11 35 20 o 20.79600 7.570310 21.71270       19.96279 -10.62000      41.78777 31.27340       22.72338 20.26193 9.292411 23.79146 8.126682 -3.529528      12.34471 
1 1 1 -11 35 21 o 42.96722 7.937962 105.3848       32.15558 116.1000       47.28966 96.17000       43.85413 42.12398 11.25487 38.37907 11.06676 3.744907       15.78434 
1 1 1 -11 35 22 o 17.14560 7.725397 -5.460469      27.33645 11.53000       44.21981 -15.97000      34.77810 23.13217 10.15591 17.93747 8.315562 5.194704       13.12597 
1 1 1 -11 35 23 o 52.90283 5.058904 146.4818       25.87768 56.01000       50.80369 178.1790       30.07110 29.94107 11.79442 58.17502 5.340416 -28.23395      12.94713 
1 1 1 -11 35 24 o 34.84774 5.896477 65.81345       19.39622 0.000000       0.000000 65.81345       19.39622 ?        ?        34.84774 5.896477 ?              ?        
1 1 1 -11 35 25 o 34.04380 9.478089 72.40761       32.74342 20.66000       50.51639 109.9000       42.99904 24.83829 10.88136 41.06839 10.61872 -16.23010      15.20399 
1 1 1 -11 35 26 o 37.53859 9.163162 87.00684       33.36966 73.67000       52.39224 96.11000       43.28493 32.17521 12.15896 37.62946 11.03674 -5.454243      16.42102 
1 1 1 -11 35 27 o 33.02409 9.575829 69.29675       32.74951 17.85000       51.59971 104.0000       42.37927 24.42677 10.83625 39.54488 10.69364 -15.11810      15.22426 
1 1 1 -11 35 28 o 29.64398 9.662256 56.13717       32.18471 53.62000       51.60052 57.74000       41.17581 28.82065 11.70351 29.51290 10.85171 -0.6922474     15.96031 
1 1 1 -11 35 29 o 30.16367 9.691945 58.32228       32.45296 27.09000       51.27854 79.19000       41.91518 25.31860 11.02994 33.88662 11.02525 -8.568016      15.59538 
1 1 1 -11 35 30 o 23.66431 9.285866 29.71701       31.38532 35.64000       50.09552 25.89000       40.26786 26.26160 11.16216 23.97390 10.08957 2.287699       15.04637 
1 1 1 -11 35 31 o 21.37677 9.447605 9.350000       38.86349 0.000000       0.000000 9.350000       38.86349 ?        ?        21.37677 9.447605 ?              ?        
1 1 1 -11 35 32 f 20.69605 9.701344 -15.05000      49.48267 -15.05000      49.48267 0.000000       0.000000 20.69605 9.701344 ?        ?        ?              ?        
1 1 1 -11 35 33 o 27.44068 11.32448 46.32000       49.29862 46.32000       49.29862 0.000000       0.000000 27.44068 11.32448 ?        ?        ?              ?        
1 1 1 -11 35 34 o 23.21912 9.130121 28.75007       30.39571 31.42000       46.31429 26.73000       40.28555 25.15118 10.71289 23.90705 10.07831 1.244127       14.70844 
1 1 1 -11 35 35 o 22.10720 9.661897 15.20000       39.62004 0.000000       0.000000 15.20000       39.62004 ?        ?        22.10720 9.661897 ?              ?        
1 1 1 -11 35 36 o 27.27774 9.418999 47.53287       30.54885 95.60000       46.68913 11.55000       40.39611 35.94580 11.63167 21.69947 9.609126 14.24634       15.08745 
1 1 1 -11 35 37 o 19.41309 8.396270 9.509107       29.27516 2.791000       44.05856 14.82000       39.17334 21.23523 9.663286 21.89937 9.588299 -0.6641407     13.61303 
1 1 1 -11 35 38 o 21.17050 8.741571 20.25792       29.39631 -14.90000      44.16196 48.23000       39.39119 19.41407 9.120850 26.98508 10.45591 -7.571005      13.87501 
1 1 1 -11 35 39 o 25.30958 9.294040 40.76813       30.18742 48.75000       45.06260 34.27000       40.65911 26.84596 10.92387 24.46630 10.20668 2.379667       14.95016 
1 1 1 -11 35 40 o 38.82927 8.662349 95.86420       32.08568 74.15000       46.68690 115.3000       44.16968 30.64188 11.49983 39.61157 11.00087 -8.969685      15.91431 
1 1 1 -11 35 41 o 26.57981 10.89876 50.57000       45.27950 50.57000       45.27950 0.000000       0.000000 26.57981 10.89876 ?        ?        ?              ?        
1 1 1 -11 36 1  o 25.09598 6.908116 34.82428       17.50372 39.17000       47.68438 34.14753       18.81733 28.02594 11.29743 24.81149 7.276914 3.214447       13.43821 
1 1 1 -11 36 2  o 24.45129 6.966151 33.01418       17.47734 41.49000       46.41016 31.61355       18.86623 28.26797 11.22934 23.95537 7.347455 4.312597       13.41951 
1 1 1 -11 36 3  o 31.93246 5.929548 54.71539       17.85149 112.6000       47.47783 45.18467       19.26514 42.15422 11.28364 28.53729 6.960144 13.61693       13.25761 
1 1 1 -11 36 4  o 25.42542 6.757514 35.70229       17.10372 0.7774000      46.86743 41.06822       18.37071 22.82546 10.21334 27.21714 6.890268 -4.391674      12.32023 
1 1 1 -11 36 5  o 15.06937 6.469548 1.541125       17.13422 -7.645000      46.11570 3.012354       18.45538 21.76450 9.897179 15.87151 6.761504 5.892988       11.98633 
1 1 1 -11 36 6  o 32.96603 6.267953 58.84758       19.48646 68.77000       48.47165 56.93480       21.28198 32.98956 11.82470 32.07048 6.978329 0.9190712      13.73028 
1 1 1 -11 36 7  o 28.19858 6.394030 43.55764       17.24051 35.62000       47.76213 44.74684       18.48692 27.36699 11.20436 28.44576 6.742992 -1.078762      13.07691 
1 1 1 -11 36 8  o 16.40486 6.706271 7.478933       17.07897 0.000000       0.000000 7.478933       17.07897 ?        ?        16.40486 6.706271 ?              ?        
1 1 1 -11 36 9  o 25.31551 9.446152 33.77903       31.40760 0.000000       0.000000 33.77903       31.40760 ?        ?        25.31551 9.446152 ?              ?        
1 1 1 -11 36 10 o 11.12095 5.261055 -15.67910      15.16239 27.24000       45.92122 -20.93069      16.06326 25.87232 10.82407 10.86786 5.216427 15.00446       12.01548 
1 1 1 -11 36 11 o 21.44572 8.915092 14.87288       30.86194 -37.44000      45.94279 57.89000       41.66138 18.94783 9.019684 30.75138 10.96941 -11.80355      14.20150 
1 1 1 -11 36 12 o 28.63227 6.924209 45.74522       19.19113 -6.176000      46.61843 56.33956       21.05825 21.85313 9.942747 31.82627 6.954541 -9.973139      12.13358 
1 1 1 -11 36 13 o 45.79535 4.605330 108.2091       20.36375 36.08000       46.63515 125.2023       22.63579 27.13723 11.08626 49.20549 4.759097 -22.06826      12.06458 
1 1 1 -11 36 14 o 18.57302 7.050483 15.20597       17.66328 20.72000       44.05597 14.14987       19.28076 24.56817 10.45595 18.66609 7.291790 5.902079       12.74744 
1 1 1 -11 36 15 o 45.82917 4.904126 109.2473       21.65773 48.69000       47.55394 125.0954       24.32718 29.06531 11.42266 48.92193 5.157742 -19.85662      12.53313 
1 1 1 -11 36 16 o 39.76887 5.316708 83.45763       20.17825 43.65000       45.66768 93.11468       22.49302 28.05479 11.14094 41.86016 5.632394 -13.80537      12.48376 
1 1 1 -11 36 17 o 27.79650 7.186822 43.82721       19.69701 17.59000       44.18829 50.33308       22.00398 23.95913 10.33880 29.62513 7.563147 -5.666004      12.80984 
1 1 1 -11 36 18 o 38.09624 5.861588 78.02872       21.15807 78.51000       46.47440 77.90289       23.76357 34.21701 11.62330 37.56717 6.708630 -3.350155      13.42039 
1 1 1 -11 36 19 o 19.31120 7.429253 16.66854       19.78385 -12.86000      43.50951 24.36493       22.21297 20.27231 9.363851 21.74152 7.974375 -1.469206      12.29928 
1 1 1 -11 36 20 o 20.51450 8.024761 18.84735       23.37790 47.51000       46.10915 8.929895       27.12246 28.35379 11.21536 19.30652 8.209875 9.047270       13.89915 
1 1 1 -11 36 21 o 28.93459 8.379808 49.74715       25.09353 108.6000       47.99544 27.60767       29.43743 39.91951 11.59745 23.34023 9.040148 16.57928       14.70459 
1 1 1 -11 36 22 o 26.72957 8.245554 42.23147       23.71848 -34.66000      47.62622 67.59160       27.35160 19.12303 9.125473 33.68710 8.339772 -14.56407      12.36228 
1 1 1 -11 36 23 o 41.51490 7.076770 97.18652       27.72676 0.000000       0.000000 97.18652       27.72676 ?        ?        41.51490 7.076770 ?              ?        
1 1 1 -11 36 24 o 41.75121 4.510662 90.93629       18.14153 24.19000       51.81866 100.2600       19.36721 25.10778 11.00948 43.81551 4.583516 -18.70774      11.92549 
1 1 1 -11 36 25 o 20.24391 8.703042 10.84256       31.08742 -21.84000      49.65557 31.91000       39.86721 20.30590 9.580419 24.88138 10.21718 -4.575480      14.00625 
1 1 1 -11 36 26 o 39.29906 8.938835 95.10073       33.60640 63.75000       53.29112 115.8000       43.30206 30.20251 12.02156 41.70887 10.58927 -11.50636      16.02032 
1 1 1 -11 36 27 o 35.75873 9.263087 80.37174       32.67993 64.22000       52.73759 90.44000       41.63780 30.33518 11.99590 36.36771 10.86539 -6.032528      16.18513 
1 1 1 -11 36 28 o 33.23561 9.488956 70.70373       32.39453 50.31000       51.18589 84.33000       41.83989 28.20066 11.57828 34.88548 10.98130 -6.684813      15.95761 
1 1 1 -11 36 29 o 26.05192 9.479096 41.59938       31.29359 6.726000       49.15879 65.36000       40.57730 22.62945 10.26208 30.83388 10.84214 -8.204426      14.92857 
1 1 1 -11 36 30 o 24.13977 9.344671 32.84508       31.44108 20.72000       50.56086 40.49000       40.14750 24.25871 10.74597 26.08881 10.41767 -1.830107      14.96676 
1 1 1 -11 36 31 o 22.78579 9.152714 26.24028       31.17931 17.76000       48.09070 32.39000       40.95279 23.61562 10.46966 24.79986 10.28610 -1.184246      14.67711 
1 1 1 -11 36 32 o 19.03440 9.027858 -24.64000      45.19856 -24.64000      45.19856 0.000000       0.000000 19.03440 9.027858 ?        ?        ?              ?        
1 1 1 -11 36 33 o 35.44870 11.09306 89.38000       42.75832 0.000000       0.000000 89.38000       42.75832 ?        ?        35.44870 11.09306 ?              ?        
1 1 1 -11 36 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -11 36 35 o 33.24627 9.419669 71.95673       32.04507 77.41000       46.12774 66.87000       44.55055 32.30267 11.54025 30.46279 11.27237 1.839876       16.13207 
1 1 1 -11 36 36 o 18.35930 8.136528 3.725047       29.02048 -0.5670000     43.67906 7.117000       38.82987 20.65857 9.483956 20.70603 9.278346 -0.4746246E-01 13.26775 
1 1 1 -11 36 37 o 19.02110 8.263018 9.182911       28.60801 -21.08000      42.57725 34.09000       38.62635 18.46914 8.760458 24.32764 10.03033 -5.858507      13.31740 
1 1 1 -11 36 38 o 13.64256 6.630483 -34.99673      28.02428 -37.68000      41.76915 -32.80000      37.79310 16.92291 8.194150 16.40156 7.905354 0.5213451      11.38590 
1 1 1 -11 36 39 o 18.68451 8.220756 7.459324       29.11571 21.01000       43.25994 -3.762000      39.36656 22.57808 9.973593 19.24974 8.896964 3.328342       13.36520 
1 1 1 -11 37 1  f 42.77082 4.749324 94.84528       19.54835 41.32000       46.14838 106.5498       21.58011 27.87215 11.15588 45.25159 4.952878 -17.37944      12.20593 
1 1 1 -11 37 2  o 22.08811 6.969137 26.61920       16.84235 49.58000       43.99989 22.67738       18.23083 29.12035 11.11028 20.90090 7.273147 8.219454       13.27920 
1 1 1 -11 37 3  o 63.10770 3.816089 201.7016       23.46242 147.8000       52.53593 215.1307       26.22277 48.00295 11.35919 64.98796 4.143885 -16.98501      12.09145 
1 1 1 -11 37 4  o 31.86876 6.689277 56.08833       20.20051 49.02000       45.91421 57.78493       22.49459 29.11388 11.28637 32.02083 7.334875 -2.906950      13.46041 
1 1 1 -11 37 5  o 39.98498 4.878409 83.26679       18.69848 34.57000       45.89956 92.95643       20.47444 26.80345 10.97983 42.18178 5.059705 -15.37833      12.08955 
1 1 1 -11 37 6  o 29.53614 6.220521 47.67533       17.41494 34.87000       44.94066 49.93800       18.89098 26.73524 10.89774 30.06712 6.600192 -3.331882      12.74061 
1 1 1 -11 37 7  o 18.42360 7.045296 14.66304       17.71931 0.000000       0.000000 14.66304       17.71931 ?        ?        18.42360 7.045296 ?              ?        
1 1 1 -11 37 8  o 26.80031 6.907363 40.20805       18.23400 24.24000       45.44216 43.27241       19.90687 25.20360 10.66831 27.66851 7.260608 -2.464905      12.90462 
1 1 1 -11 37 9  o 29.42646 9.550395 52.06585       31.46190 25.93000       44.52016 78.14000       44.46758 25.28895 10.62391 34.56469 11.36276 -9.275736      15.55570 
1 1 1 -11 37 10 o 48.34113 6.240260 125.7948       28.83928 41.76000       47.45638 175.0006       36.31391 27.89500 11.26125 56.77010 6.661612 -28.87510      13.08406 
1 1 1 -11 37 11 o 42.38791 4.843999 93.60023       19.73754 81.90000       45.74313 96.27694       21.87907 35.11385 11.52359 42.72226 5.348916 -7.608402      12.70449 
1 1 1 -11 37 12 o 32.78359 6.440866 59.14936       19.93083 26.60000       43.70002 67.69827       22.39576 25.13063 10.53947 34.92339 6.796176 -9.792751      12.54067 
1 1 1 -11 37 13 o 58.34541 4.413551 175.1048       25.01890 96.31000       47.83658 204.7737       29.35360 37.64263 11.72631 62.83867 4.808839 -25.19604      12.67404 
1 1 1 -11 37 14 o 54.31649 4.207905 151.2275       22.19759 73.39000       47.67523 172.7718       25.08216 33.06324 11.74069 57.91849 4.458560 -24.85525      12.55877 
1 1 1 -11 37 15 o 32.06676 6.562787 57.07967       19.90463 67.97000       45.83679 54.54879       22.09680 32.01516 11.49599 30.86484 7.408352 1.150314       13.67631 
1 1 1 -11 37 16 o 20.63632 7.442604 21.94778       19.23639 65.91000       45.38025 12.31807       21.23897 31.52490 11.42293 18.53648 7.515419 12.98841       13.67351 
1 1 1 -11 37 17 o 22.47004 7.668089 27.81627       20.23026 -27.11000      45.05059 41.68988       22.64150 19.24187 9.092590 26.70275 8.020251 -7.460886      12.12434 
1 1 1 -11 37 18 o 25.20916 8.344476 36.91337       23.96736 44.45000       47.24888 34.30225       27.81099 27.77433 11.22798 24.65021 8.940883 3.124119       14.35294 
1 1 1 -11 37 19 o 38.94062 6.784844 84.70071       24.92180 48.73000       48.42342 97.66170       29.06698 28.33036 11.39710 41.36940 7.452236 -13.03904      13.61726 
1 1 1 -11 37 20 o 47.96762 4.855590 120.7456       22.48433 156.0000       52.76054 112.9221       24.85422 48.04669 11.39266 45.83612 5.659793 2.210567       12.72109 
1 1 1 -11 37 21 o 31.74938 8.911959 62.51875       28.82235 0.000000       0.000000 62.51875       28.82235 ?        ?        31.74938 8.911959 ?              ?        
1 1 1 -11 37 22 o 40.11474 6.742453 90.25845       25.53633 58.06000       51.36738 100.8281       29.43075 29.46275 11.77747 41.87660 7.453212 -12.41385      13.93769 
1 1 1 -11 37 23 o 22.15469 7.937616 27.21893       21.83922 -12.28000      46.88894 38.16156       24.67963 20.51802 9.560521 25.26188 8.470214 -4.743856      12.77294 
1 1 1 -11 37 24 o 37.21566 9.228723 87.01278       33.45200 77.05000       51.59104 94.24000       43.94099 32.30645 12.09616 36.64008 11.20850 -4.333633      16.49084 
1 1 1 -11 37 25 o 40.30140 8.761777 99.14964       33.57570 121.6000       54.01160 85.01000       42.86418 40.22636 12.44868 34.85585 11.13243 5.370510       16.70032 
1 1 1 -11 37 26 o 30.64814 9.539811 60.72272       31.66729 102.1000       51.44522 35.48000       40.18206 36.71612 12.22764 25.26770 10.30272 11.44842       15.98941 
1 1 1 -11 37 27 o 36.98505 9.017318 85.55239       32.34505 76.25000       50.74043 91.92000       41.98025 32.03607 11.99580 36.33738 10.92244 -4.301304      16.22341 
1 1 1 -11 37 28 o 23.61337 9.201429 30.86234       30.64023 62.60000       49.00407 10.49000       39.26133 29.75612 11.62463 21.46176 9.490006 8.294353       15.00641 
1 1 1 -11 37 29 o 19.01084 8.384354 4.785308       30.45560 47.50000       48.35531 -23.30000      39.20985 27.41388 11.25424 17.85889 8.452091 9.554996       14.07465 
1 1 1 -11 37 30 o 26.63895 11.06621 42.65000       47.50483 42.65000       47.50483 0.000000       0.000000 26.63895 11.06621 ?        ?        ?              ?        
1 1 1 -11 37 31 o 26.41661 9.313014 43.91499       29.95296 19.28000       43.82530 65.51000       41.03226 23.12602 10.13308 30.53963 10.88710 -7.413609      14.87307 
1 1 1 -11 37 32 o 21.13266 9.369729 10.08000       38.52554 0.000000       0.000000 10.08000       38.52554 ?        ?        21.13266 9.369729 ?              ?        
1 1 1 -11 37 33 o 16.83778 7.729765 -8.009390      29.01346 -49.23000      44.49120 22.49000       38.27035 16.99897 8.282594 22.78688 9.723037 -5.787909      12.77258 
1 1 1 -11 37 34 o 15.22339 7.208987 -20.73483      28.60343 -78.32000      42.80073 25.74000       38.45074 14.92006 7.426336 23.13023 9.803041 -8.210172      12.29838 
1 1 1 -11 37 35 o 18.84049 8.721876 -7.216000      38.05812 0.000000       0.000000 -7.216000      38.05812 ?        ?        18.84049 8.721876 ?              ?        
1 1 1 -11 37 36 o 19.97998 8.624358 13.51477       30.76658 24.63000       44.47269 3.312000       42.60821 23.24146 10.19497 20.58899 9.420204 2.652462       13.88084 
1 1 1 -11 37 37 o 15.87119 7.782553 -50.34000      41.16494 -50.34000      41.16494 0.000000       0.000000 15.87119 7.782553 ?        ?        ?              ?        
1 1 1 -11 38 1  o 49.59940 4.406695 126.7204       21.17171 137.6000       46.28057 123.8410       23.80908 46.90867 10.35682 48.64043 5.075386 -1.731754      11.53357 
1 1 1 -11 38 2  o 12.16467 5.738380 -16.58421      17.80095 0.3287000      40.96518 -20.52116      19.76448 21.20661 9.514220 12.50197 5.941205 8.704640       11.21688 
1 1 1 -11 38 3  o 21.70000 7.428592 25.34854       18.98939 -17.70000      41.80588 36.53935       21.31518 19.47013 9.057150 25.26324 7.820691 -5.793116      11.96642 
1 1 1 -11 38 4  o 13.27581 5.950972 -4.487110      15.98887 -16.15000      40.31363 -2.310076      17.41732 19.26772 8.939387 14.27799 6.316803 4.989738       10.94599 
1 1 1 -11 38 5  o 33.02176 6.333134 59.92073       19.72583 0.000000       0.000000 59.92073       19.72583 ?        ?        33.02176 6.333134 ?              ?        
1 1 1 -11 38 6  o 27.52998 9.588311 45.23168       31.68806 0.000000       0.000000 45.23168       31.68806 ?        ?        27.52998 9.588311 ?              ?        
1 1 1 -11 38 7  o 18.78970 7.003150 16.63495       17.25315 -7.356000      42.89585 21.26507       18.84463 20.69623 9.462725 20.42389 7.366370 0.2723408      11.99194 
1 1 1 -11 38 8  o 43.75689 4.716001 99.66333       19.88024 121.8000       47.53404 94.97035       21.88633 43.02492 11.18490 42.31704 5.407231 0.7078743      12.42337 
1 1 1 -11 38 9  f 29.62751 6.271841 48.46696       17.62089 49.73000       45.18360 48.24041       19.13605 28.70218 11.17679 29.28816 6.805155 -0.5859814     13.08552 
1 1 1 -11 38 10 o 36.46308 7.759626 76.68275       26.84375 96.54000       46.16812 66.54115       32.99407 37.67004 11.48232 32.62112 9.653921 5.048920       15.00139 
1 1 1 -11 38 11 o 24.83403 8.683290 35.31195       26.00286 32.46000       44.40384 36.80038       32.07852 25.78418 10.70398 25.50142 9.540271 0.2827663      14.33848 
1 1 1 -11 38 12 o 56.48983 4.099448 163.5457       22.51317 39.91000       48.09642 198.2352       25.47650 27.16755 11.19602 62.14034 4.213431 -34.97279      11.96261 
1 1 1 -11 38 13 o 36.72776 6.481431 74.50894       22.44933 36.80000       45.96508 86.32152       25.72635 26.53709 10.94158 39.27589 6.945895 -12.73880      12.96008 
1 1 1 -11 38 14 o 39.61892 5.452904 83.87596       20.58613 20.93000       46.63350 99.11148       22.94260 24.35774 10.56577 43.03250 5.577888 -18.67476      11.94773 
1 1 1 -11 38 15 o 33.27487 6.559124 61.85584       20.60350 35.51000       46.74082 68.20962       22.95389 26.21763 10.94083 34.69840 7.000087 -8.480774      12.98857 
1 1 1 -11 38 16 o 13.91150 6.349811 -7.893655      19.20883 -50.20000      45.05678 1.503630       21.23531 17.37101 8.434426 16.21701 7.080839 1.153997       11.01262 
1 1 1 -11 38 17 o 34.18847 7.607922 68.28211       24.80353 46.61000       48.26424 76.05999       28.91381 27.68322 11.29000 35.47780 8.447905 -7.794579      14.10075 
1 1 1 -11 38 18 o 27.93847 7.601419 46.04184       21.33620 54.42000       48.43248 44.02434       23.76669 28.80967 11.46265 27.03251 8.238109 1.777157       14.11590 
1 1 1 -11 38 19 o 16.52503 7.057992 5.098007       20.20105 -43.73000      48.27335 15.46399       22.24223 18.37776 8.876816 19.26206 7.732822 -0.8843002     11.77261 
1 1 1 -11 38 20 o 25.53672 8.145727 39.06049       22.95527 0.000000       0.000000 39.06049       22.95527 ?        ?        25.53672 8.145727 ?              ?        
1 1 1 -11 38 21 o 24.11188 8.334105 34.16068       23.91912 12.72000       47.83018 41.31078       27.62097 23.07851 10.32278 25.99420 8.957108 -2.915691      13.66710 
1 1 1 -11 38 22 o 39.22339 6.719870 86.65620       24.87190 37.15000       49.95981 102.9690       28.67838 26.25720 11.15315 42.46908 7.152735 -16.21187      13.24970 
1 1 1 -11 38 23 o 32.82188 7.233786 62.55229       22.61260 101.2000       49.79229 52.51047       25.38087 36.81038 12.01939 29.24251 8.415152 7.567869       14.67244 
1 1 1 -11 38 24 o 27.07015 9.573497 46.54362       31.67150 29.42000       49.02417 58.81000       41.49260 25.02042 10.84330 29.30909 10.87250 -4.288677      15.35541 
1 1 1 -11 38 25 o 29.84574 9.674975 58.24760       32.29358 13.34000       49.16696 92.32000       42.82672 23.19485 10.41338 36.13659 11.06757 -12.94174      15.19637 
1 1 1 -11 38 26 o 29.06862 9.606773 55.13361       31.77086 53.68000       50.75747 56.07000       40.73837 28.26962 11.55938 28.73830 10.75117 -0.4686832     15.78629 
1 1 1 -11 38 27 o 22.60518 9.024017 26.41868       30.11564 23.03000       47.35431 28.72000       39.02412 24.00604 10.52551 23.92544 9.991580 0.8059311E-01  14.51269 
1 1 1 -11 38 28 o 16.50772 7.619748 -10.45036      28.73946 -39.67000      43.70507 11.81000       38.14701 17.52061 8.458749 21.36826 9.405351 -3.847651      12.64955 
1 1 1 -11 38 29 o 18.93696 8.924445 -18.55000      42.86784 -18.55000      42.86784 0.000000       0.000000 18.93696 8.924445 ?        ?        ?              ?        
1 1 1 -11 38 30 o 19.14349 8.338726 8.238136       29.30031 5.219000       43.62185 10.72000       39.55047 21.31432 9.666168 21.32178 9.471351 -0.7461548E-02 13.53297 
1 1 1 -11 38 31 o 40.35089 10.84557 114.1000       43.75210 0.000000       0.000000 114.1000       43.75210 ?        ?        40.35089 10.84557 ?              ?        
1 1 1 -11 38 32 o 19.32749 8.352319 10.49196       28.92177 39.27000       43.80348 -11.75000      38.50920 25.47641 10.60835 18.52566 8.642821 6.950748       13.68340 
1 1 1 -11 38 33 o 23.80918 9.105137 34.23429       29.59597 -18.56000      43.55542 79.52000       40.33939 18.82195 8.907962 32.91168 10.82263 -14.08973      14.01717 
1 1 1 -11 38 34 o 23.42922 9.025601 33.22985       29.22695 4.235000       43.28833 57.52000       39.62101 20.74942 9.494165 28.18487 10.59049 -7.435446      14.22314 
1 1 1 -11 38 35 o 18.77381 8.214835 9.131577       28.71593 -11.58000      42.64749 26.31000       38.83994 18.97888 8.930976 22.70093 9.743113 -3.722046      13.21706 
1 1 1 -11 38 36 o 20.81874 8.674568 21.29459       29.31702 -6.840000      43.19696 45.32000       39.91796 19.39026 9.081212 25.54504 10.32259 -6.154781      13.74861 
1 1 1 -11 39 1  o 22.32914 7.581002 27.59958       19.76980 20.34000       42.94410 29.55188       22.27002 23.82483 10.23553 23.05268 8.037539 0.7721558      13.01415 
1 1 1 -11 39 2  o 32.68691 6.903319 60.28163       21.39335 53.16000       44.74612 62.39190       24.35761 29.05300 11.17400 32.74853 7.724680 -3.695528      13.58415 
1 1 1 -11 39 3  o 44.70102 4.664773 104.1647       20.11050 23.83000       46.81273 122.3459       22.27023 24.77906 10.66656 48.41726 4.760638 -23.63820      11.68072 
1 1 1 -11 39 4  o 34.87201 10.64038 80.20000       39.63237 0.000000       0.000000 80.20000       39.63237 ?        ?        34.87201 10.64038 ?              ?        
1 1 1 -11 39 5  o 30.53460 6.698898 52.40310       19.47021 0.000000       0.000000 52.40310       19.47021 ?        ?        30.53460 6.698898 ?              ?        
1 1 1 -11 39 6  o 14.59582 6.269754 2.004632       16.10920 -17.31000      40.33364 5.670455       17.57155 18.99260 8.855517 15.93626 6.683299 3.056343       11.09444 
1 1 1 -11 39 7  o 16.72639 6.751871 9.622707       17.05798 -40.84000      41.87368 19.66309       18.67803 17.36029 8.355728 19.82744 7.305598 -2.467155      11.09910 
1 1 1 -11 39 8  o 50.39504 4.306474 131.1915       21.03962 156.5000       49.82119 125.6983       23.21088 49.16656 10.66016 48.94163 4.911460 0.2249374      11.73718 
1 1 1 -11 39 9  o 40.77635 4.953892 87.72814       19.36732 132.7000       48.31353 79.11777       21.14022 44.47810 11.12625 38.17657 5.842843 6.301529       12.56711 
1 1 1 -11 39 10 o 29.58338 6.704583 49.55028       18.96415 42.95000       46.53481 50.86474       20.76684 27.18957 11.08693 29.68695 7.217588 -2.497387      13.22927 
1 1 1 -11 39 11 o 39.48154 7.558380 90.05941       28.14633 82.11000       48.72169 94.04127       34.48241 33.74384 11.87925 38.94598 9.193962 -5.202145      15.02150 
1 1 1 -11 39 12 o 21.10314 7.425100 24.23482       19.03293 33.72000       46.11225 22.28705       20.89595 25.65916 10.79778 20.75196 7.712383 4.907200       13.26925 
1 1 1 -11 39 13 o 24.26652 7.777261 34.47865       20.90663 -13.68000      46.29660 46.81509       23.43187 20.29001 9.469440 27.87848 8.104567 -7.588467      12.46412 
1 1 1 -11 39 14 o 12.30855 5.908131 -24.10227      20.60944 -2.969000      46.05883 -29.39283      23.04521 21.23702 9.745585 12.69224 6.131261 8.544785       11.51385 
1 1 1 -11 39 15 o 22.77127 8.122061 29.30937       22.83969 35.77000       47.85733 27.40387       25.99051 25.93783 10.96213 22.54141 8.553489 3.396414       13.90433 
1 1 1 -11 39 16 o 28.49714 8.081807 49.16138       23.57748 91.02000       49.54922 36.90950       26.80685 34.86308 11.99749 24.85162 8.805862 10.01147       14.88230 
1 1 1 -11 39 17 o 24.57332 7.823374 35.77215       21.18258 36.10000       48.88603 35.69637       23.50364 25.92099 11.02233 24.49254 8.266267 1.428450       13.77762 
1 1 1 -11 39 18 o 41.78946 6.389795 97.20811       25.30822 0.000000       0.000000 97.20811       25.30822 ?        ?        41.78946 6.389795 ?              ?        
1 1 1 -11 39 19 o 21.31206 7.749240 24.66471       20.90922 9.189000       51.04593 27.78480       22.92029 23.09420 10.46661 22.32623 8.114034 0.7679768      13.24339 
1 1 1 -11 39 20 o 43.11954 5.411549 100.1556       22.33858 78.20000       52.85790 104.9296       24.64786 32.08716 12.19284 43.78404 5.901299 -11.69688      13.54587 
1 1 1 -11 39 21 o 31.27872 7.895017 58.96165       24.16990 66.00000       48.91249 56.68779       27.80134 30.18778 11.66358 29.95548 8.860886 0.2322979      14.64768 
1 1 1 -11 39 22 o 24.77151 8.226869 36.88501       23.29139 6.536000       46.97255 46.77964       26.82080 22.13217 10.03447 27.34381 8.813211 -5.211645      13.35527 
1 1 1 -11 39 23 o 39.02340 4.788427 80.78038       17.90752 26.66000       49.19683 89.04619       19.22646 24.56139 10.74973 40.92251 4.896995 -16.36112      11.81259 
1 1 1 -11 39 24 o 15.03023 7.182693 -26.95632      29.73037 -92.03000      44.88258 23.92000       39.68560 14.84244 7.421328 23.22412 9.905144 -8.381679      12.37691 
1 1 1 -11 39 25 o 15.33976 7.259029 -21.19705      28.90607 -22.33000      42.83858 -20.25000      39.16648 18.62869 8.821780 18.03203 8.507898 0.5966625      12.25594 
1 1 1 -11 39 26 o 45.49210 7.492372 120.7893       32.20228 112.1000       47.12668 128.4000       44.10514 39.13586 11.52622 43.60982 10.46588 -4.473957      15.56883 
1 1 1 -11 39 27 o 18.31528 8.700805 -23.78000      42.31652 -23.78000      42.31652 0.000000       0.000000 18.31528 8.700805 ?        ?        ?              ?        
1 1 1 -11 39 28 f 18.43295 8.139271 4.593759       28.78314 5.456000       42.40332 3.857000       39.19657 21.08607 9.549706 20.38039 9.210520 0.7056770      13.26765 
1 1 1 -11 39 29 o 21.35500 9.443598 12.35000       38.88626 0.000000       0.000000 12.35000       38.88626 ?        ?        21.35500 9.443598 ?              ?        
1 1 1 -11 39 30 o 35.93068 11.08301 95.34000       42.85222 0.000000       0.000000 95.34000       42.85222 ?        ?        35.93068 11.08301 ?              ?        
1 1 1 -11 39 31 o 18.98862 8.267205 9.307901       28.76995 15.97000       43.16343 3.982000       38.59285 22.11503 9.854774 20.06486 9.096505 2.050173       13.41130 
1 1 1 -11 39 32 o 22.10222 8.872129 27.06186       29.27603 33.15000       43.86077 22.17000       39.31617 24.16415 10.36211 22.29798 9.686668 1.866165       14.18467 
1 1 1 -11 39 33 o 25.06369 9.236046 41.65928       29.85476 10.89000       43.66940 68.66000       40.90780 21.25922 9.653136 29.85246 10.84136 -8.593246      14.51614 
1 1 1 -11 39 34 o 21.99254 8.868203 27.67529       29.39288 82.59000       44.13869 -16.08000      39.39947 31.91047 11.30021 17.87358 8.463030 14.03689       14.11799 
1 1 1 -11 40 1  o 35.69762 6.360028 70.98293       21.40816 71.90000       46.17294 70.73180       24.16223 31.81485 11.52306 34.98721 7.292168 -3.172356      13.63659 
1 1 1 -11 40 2  o 14.33256 6.392018 -2.816348      18.19784 -23.71000      43.24443 1.679773       20.06052 18.81602 8.896485 15.80976 6.892970 3.006268       11.25435 
1 1 1 -11 40 3  o 17.58890 7.091507 11.68967       18.79239 0.000000       0.000000 11.68967       18.79239 ?        ?        17.58890 7.091507 ?              ?        
1 1 1 -11 40 4  o 20.10670 7.051658 21.73177       17.15702 59.61000       46.46063 15.75076       18.46195 29.53937 11.37955 18.55077 7.166186 10.98861       13.44799 
1 1 1 -11 40 5  o 11.92919 5.571865 -12.02508      16.08108 -33.19000      43.84439 -8.735322      17.28573 18.15681 8.689203 12.95680 5.954823 5.200018       10.53386 
1 1 1 -11 40 6  o 23.66721 6.949336 32.25414       17.15281 30.12000       45.33547 32.61069       18.53033 24.92938 10.60809 23.71098 7.283469 1.218403       12.86781 
1 1 1 -11 40 7  o 48.78784 4.432731 124.0268       20.93760 166.5000       49.59968 114.8171       23.09631 50.53866 10.37432 46.43154 5.169420 4.107121       11.59092 
1 1 1 -11 40 8  f 15.80910 6.581872 6.644351       16.85829 32.46000       45.12748 2.457334       18.17406 25.22619 10.65230 15.31762 6.620214 9.908570       12.54188 
1 1 1 -11 40 9  o 19.25161 6.996703 19.11220       17.04256 -40.83000      45.10744 29.09376       18.40691 17.85017 8.611786 22.53285 7.304360 -4.682686      11.29232 
1 1 1 -11 40 10 o 15.31636 6.604608 2.818766       18.00779 -30.62000      44.77615 9.270860       19.66853 18.49133 8.830685 17.20395 7.131383 1.287378       11.35067 
1 1 1 -11 40 11 o 59.70531 4.085353 183.9763       23.73143 130.5000       54.32747 196.5865       26.38150 41.46941 12.41620 61.46284 4.414514 -19.99343      13.17763 
1 1 1 -11 40 12 o 18.62949 7.952675 9.212932       25.62317 38.39000       47.16105 -3.006960      30.52083 26.03439 10.93561 17.93967 8.115569 8.094717       13.61800 
1 1 1 -11 40 13 o 18.09586 7.156040 14.00452       18.76750 -28.11000      47.15894 21.92949       20.45724 19.12188 9.112576 20.47212 7.626624 -1.350233      11.88295 
1 1 1 -11 40 14 o 37.42033 8.034023 83.77127       28.54743 53.27000       50.35204 98.22000       34.65556 28.31314 11.53735 39.55491 9.135175 -11.24177      14.71604 
1 1 1 -11 40 15 o 23.59792 8.218864 32.56474       23.28280 18.12000       47.69813 37.08305       26.67685 23.56079 10.43704 24.84399 8.786246 -1.283207      13.64295 
1 1 1 -11 40 16 o 20.67134 7.670211 22.63661       20.65273 4.088000       49.10082 26.62362       22.76441 22.20312 10.14118 21.94144 8.068562 0.2616806      12.95937 
1 1 1 -11 40 17 o 21.89042 8.067553 26.59016       22.77953 0.000000       0.000000 26.59016       22.77953 ?        ?        21.89042 8.067553 ?              ?        
1 1 1 -11 40 18 o 35.93233 6.544388 73.03192       22.16988 18.24000       49.55575 86.74207       24.78888 23.63985 10.54515 39.08904 6.721060 -15.44920      12.50491 
1 1 1 -11 40 19 o 19.36003 7.563806 17.72535       20.74819 -35.42000      48.25946 29.77621       22.98047 18.70904 8.996022 22.73135 8.142591 -4.022310      12.13385 
1 1 1 -11 40 20 o 22.11821 7.708375 28.06388       20.48208 21.32000       47.90211 29.57269       22.65776 23.73084 10.48839 22.63660 8.087914 1.094238       13.24465 
1 1 1 -11 40 21 o 21.84243 8.004290 26.68106       22.37218 11.87000       45.51873 31.39848       25.68914 22.37170 10.03362 23.25145 8.567626 -0.8797455     13.19385 
1 1 1 -11 40 22 o 14.09066 6.547456 -12.07435      21.75340 -63.19000      41.92558 6.756017       25.44671 15.57505 7.679731 18.06300 7.820181 -2.487944      10.96054 
1 1 1 -11 40 23 o 21.25245 8.752275 20.45514       29.36492 21.74000       42.48654 19.28000       40.63205 23.13874 10.06061 22.59205 9.830568 0.5466900      14.06613 
1 1 1 -11 40 24 o 23.03851 9.015488 29.79910       29.51585 33.79000       42.06892 25.93000       41.42204 24.67579 10.34429 23.49379 10.07218 1.182001       14.43791 
1 1 1 -11 40 25 o 25.53061 9.274651 41.26988       29.94183 27.22000       42.29145 55.39000       42.39704 23.69885 10.16903 28.12992 10.86154 -4.431070      14.87892 
1 1 1 -11 40 26 f 23.86841 10.21478 28.38000       42.46553 28.38000       42.46553 0.000000       0.000000 23.86841 10.21478 ?        ?        ?              ?        
1 1 1 -11 40 27 o 42.63741 7.911740 109.5337       31.80398 124.0000       47.55780 97.83000       42.77643 40.96256 11.42954 36.56432 11.03328 4.398243       15.88608 
1 1 1 -11 40 28 o 22.23130 9.635150 20.91000       38.71309 0.000000       0.000000 20.91000       38.71309 ?        ?        22.23130 9.635150 ?              ?        
1 1 1 -11 40 29 o 27.09327 9.338675 49.26937       30.02517 19.37000       44.13456 75.03000       40.96623 22.50784 10.00130 31.52700 10.90638 -9.019163      14.79781 
1 1 1 -11 40 30 o 33.46925 9.146600 74.97819       30.81251 47.93000       45.37184 98.13000       41.97684 26.16886 10.83794 36.07584 10.93904 -9.906973      15.39882 
1 1 1 -11 40 31 o 22.54266 8.920377 30.43290       29.18026 67.31000       43.86448 1.158000       39.08249 29.10586 11.09597 19.48440 8.954529 9.621464       14.25848 
1 1 1 -11 40 32 o 17.05286 7.760101 -1.440802      28.41330 1.958000       41.85837 -4.345000      38.69300 19.90655 9.191190 18.77244 8.726091 1.134109       12.67370 
1 1 1 -11 41 1  o 15.88850 6.832473 3.951576       19.17004 0.000000       0.000000 3.951576       19.17004 ?        ?        15.88850 6.832473 ?              ?        
1 1 1 -11 41 2  o 43.29602 7.404612 108.8000       30.25330 0.000000       0.000000 108.8000       30.25330 ?        ?        43.29602 7.404612 ?              ?        
1 1 1 -11 41 3  o 15.19368 6.539408 3.058107       17.59015 -33.20000      45.19552 9.530875       19.09580 18.31065 8.778602 17.07004 7.046684 1.240606       11.25698 
1 1 1 -11 41 4  o 53.16892 4.201386 146.6400       21.68777 173.2000       51.92139 141.0264       23.86988 50.70719 10.79249 51.72132 4.768573 -1.014133      11.79903 
1 1 1 -11 41 5  o 27.38246 6.849008 43.43204       18.30884 31.41000       46.35188 45.65450       19.92945 24.96831 10.67840 27.85553 7.242764 -2.887226      12.90294 
1 1 1 -11 41 6  o 18.46493 7.028268 16.35293       17.58115 13.97000       45.10378 16.77986       19.09122 22.67168 10.09013 18.85793 7.286637 3.813744       12.44612 
1 1 1 -11 41 7  o 32.12703 6.279232 57.96629       19.03806 65.40000       47.37178 56.53438       20.79095 30.17260 11.52414 31.26448 6.971615 -1.091883      13.46882 
1 1 1 -11 41 8  o 18.86835 7.083652 17.65300       17.71762 34.71000       45.88400 14.66408       19.20734 25.40752 10.73566 18.34282 7.243884 7.064705       12.95100 
1 1 1 -11 41 9  o 16.57717 6.759838 9.465236       17.30010 23.88000       44.99885 6.965100       18.74043 23.88243 10.36913 16.40289 6.891957 7.479536       12.45062 
1 1 1 -11 41 10 o 20.85030 7.391424 23.91516       18.88864 18.26000       45.34844 25.10222       20.77671 23.21443 10.23492 21.35232 7.730245 1.862110       12.82615 
1 1 1 -11 41 11 o 22.50532 7.445488 29.34508       19.08207 9.556000       46.16796 33.42218       20.95580 22.25899 10.03361 23.75636 7.799864 -1.497368      12.70871 
1 1 1 -11 41 12 o 31.55058 10.02183 67.37701       34.77687 33.83000       48.72931 102.2000       49.64739 25.32629 10.89219 36.49855 12.00672 -11.17226      16.21115 
1 1 1 -11 41 13 o 39.23728 9.708240 100.7753       37.07999 40.33000       50.86983 169.3000       54.16299 26.26510 11.20861 48.83564 11.51880 -22.57054      16.07220 
1 1 1 -11 41 14 o 27.62870 9.730584 49.91180       32.69308 59.77000       50.83831 42.96000       42.69144 28.96519 11.66894 26.28883 10.65634 2.676361       15.80258 
1 1 1 -11 41 15 o 30.16885 8.926167 58.20345       28.20970 0.000000       0.000000 58.20345       28.20970 ?        ?        30.16885 8.926167 ?              ?        
1 1 1 -11 41 16 o 22.78851 7.777805 30.42536       20.81343 -0.8955000     48.80434 37.38816       23.01090 21.48252 9.920864 24.79592 8.174978 -3.313402      12.85511 
1 1 1 -11 41 17 o 44.29311 5.274985 105.7083       22.42104 72.13000       48.79883 114.6935       25.24326 30.90198 11.72165 45.76651 5.762424 -14.86453      13.06149 
1 1 1 -11 41 18 o 30.87918 7.249943 56.27324       21.53613 -56.35000      45.27536 89.20731       24.48334 16.69001 8.179481 39.71647 6.524212 -23.02646      10.46276 
1 1 1 -11 41 19 o 39.98931 5.808083 88.03989       22.07006 99.85000       47.47694 84.78429       24.92708 36.25681 11.72916 38.40909 6.883094 -2.152287      13.59964 
1 1 1 -11 41 20 o 28.21307 7.154048 47.04356       19.78143 76.21000       42.84865 39.14367       22.30005 32.18048 11.15304 25.32128 8.023009 6.859200       13.73896 
1 1 1 -11 41 21 o 55.73843 4.822498 164.8729       26.05216 132.6000       47.20018 179.0125       31.24220 43.07757 11.11882 57.29289 5.644239 -14.21532      12.46938 
1 1 1 -11 41 22 o 28.84417 9.341664 55.10738       30.11092 19.32000       42.31127 91.83000       42.86058 22.59203 9.926037 35.25486 11.11670 -12.66283      14.90326 
1 1 1 -11 41 23 o 21.43343 8.768678 22.35778       29.22684 -19.67000      41.55737 63.49000       41.11222 18.39779 8.705440 29.60055 10.85007 -11.20276      13.91074 
1 1 1 -11 41 24 o 20.03302 9.232452 -2.584000      41.95527 -2.584000      41.95527 0.000000       0.000000 20.03302 9.232452 ?        ?        ?              ?        
1 1 1 -11 41 25 o 21.97544 8.912605 25.55354       29.88129 78.16000       42.81591 -24.40000      41.72235 32.03027 11.14606 17.92093 8.548876 14.10934       14.04699 
1 1 1 -11 41 26 o 49.84934 10.06670 168.1000       47.42564 0.000000       0.000000 168.1000       47.42564 ?        ?        49.84934 10.06670 ?              ?        
1 1 1 -11 41 27 o 25.78198 10.55251 45.41000       42.35168 0.000000       0.000000 45.41000       42.35168 ?        ?        25.78198 10.55251 ?              ?        
1 1 1 -11 41 28 o 13.40512 6.535756 -35.90384      27.82960 -55.40000      41.96589 -20.60000      37.18109 15.65816 7.713553 17.06534 8.120907 -1.407188      11.20036 
1 1 1 -11 41 29 o 16.80497 7.687353 -3.452173      28.35581 -1.954000      43.01019 -4.604000      37.71238 19.74209 9.184682 18.60909 8.638059 1.132999       12.60851 
1 1 1 -11 42 1  o 22.59781 9.271925 25.57700       32.79761 0.000000       0.000000 25.57700       32.79761 ?        ?        22.59781 9.271925 ?              ?        
1 1 1 -11 42 2  o 35.44754 5.900654 69.61826       19.75412 123.6000       46.37600 57.65295       21.83393 41.68285 11.14948 31.25906 7.273179 10.42379       13.31202 
1 1 1 -11 42 3  o 12.63085 6.030466 -21.23885      20.85407 0.000000       0.000000 -21.23885      20.85407 ?        ?        12.63085 6.030466 ?              ?        
1 1 1 -11 42 4  o 34.49129 6.585585 67.79457       21.42293 72.68000       45.83004 66.42863       24.23345 31.23816 11.45483 33.36966 7.590969 -2.131496      13.74176 
1 1 1 -11 42 5  o 17.24019 7.118612 10.11823       19.49385 8.736000       43.07430 10.47424       21.86065 21.61311 9.721429 17.89280 7.475692 3.720312       12.26345 
1 1 1 -11 42 6  f 41.88731 5.140586 94.20650       20.63525 56.57000       46.46613 103.4526       23.03090 28.42781 11.25425 43.63641 5.515037 -15.20860      12.53291 
1 1 1 -11 42 7  o 46.66631 4.753415 115.2699       21.40999 90.98000       47.14579 121.5806       24.03082 34.60382 11.70740 47.55497 5.249856 -12.95115      12.83059 
1 1 1 -11 42 8  o 14.98392 6.498220 2.231791       17.63154 -0.4576000     43.21804 2.768782       19.31173 20.64167 9.460432 15.63978 6.791602 5.001893       11.64584 
1 1 1 -11 42 9  o 23.43744 7.406992 32.47111       19.01801 -3.741000      44.02199 40.78030       21.08735 20.42393 9.428530 25.95634 7.726965 -5.532410      12.19029 
1 1 1 -11 42 10 o 22.48407 7.541973 29.56540       19.56661 89.24000       45.68436 16.15945       21.65318 34.37963 11.52411 19.06600 7.638089 15.31363       13.82554 
1 1 1 -11 42 11 o 13.05947 6.174763 -17.37052      20.83303 -49.05000      43.83611 -8.127802      23.67789 16.80039 8.193696 15.23219 6.989074 1.568202       10.76958 
1 1 1 -11 42 12 o 31.32348 6.987965 57.27986       20.88035 8.335000       45.49417 70.34163       23.50191 21.85350 9.895013 34.67366 7.161826 -12.82016      12.21487 
1 1 1 -11 42 13 o 16.64347 7.506831 -2.680825      25.88754 -17.47000      42.83051 5.831830       32.49479 18.92047 8.917866 19.38778 8.600144 -0.4673080     12.38914 
1 1 1 -11 42 14 o 38.26968 8.023084 88.75919       29.09179 0.000000       0.000000 88.75919       29.09179 ?        ?        38.26968 8.023084 ?              ?        
1 1 1 -11 42 15 o 24.86393 8.282350 37.95921       23.60272 15.73000       42.80743 47.66890       28.29177 22.29860 9.882214 27.19912 9.067999 -4.900517      13.41219 
1 1 1 -11 42 16 o 19.87304 7.588703 20.30091       20.53893 -5.961000      42.70572 28.20325       23.42613 19.91263 9.225486 22.19813 8.181201 -2.285498      12.33052 
1 1 1 -11 42 17 o 41.30056 5.649974 93.67679       22.24250 43.24000       46.00370 109.0643       25.40990 26.08624 10.86764 44.29472 6.015988 -18.20848      12.42166 
1 1 1 -11 42 18 o 34.15098 6.745956 67.45143       21.75010 26.11000       44.58781 80.36046       24.91553 23.62095 10.28787 37.02847 7.133007 -13.40751      12.51879 
1 1 1 -11 42 19 o 38.12694 5.964264 81.09487       21.52952 24.57000       43.63351 99.28504       24.75248 23.31203 10.16487 42.04850 6.199785 -18.73647      11.90638 
1 1 1 -11 42 20 o 43.79373 5.185347 103.6125       21.79702 87.79000       45.51212 108.3219       24.82988 33.73473 11.50161 44.21756 5.882662 -10.48284      12.91870 
1 1 1 -11 42 21 o 20.76273 8.675571 19.08703       29.44537 4.316000       41.52208 34.03000       41.76305 20.59410 9.375216 24.38121 10.26889 -3.787117      13.90485 
1 1 1 -11 42 22 o 18.11860 8.119214 2.459522       29.73683 -7.187000      41.68045 12.46000       42.43824 19.35580 9.017277 21.51895 9.666687 -2.163145      13.21954 
1 1 1 -11 42 23 o 27.06456 10.85806 52.88000       43.82360 52.88000       43.82360 0.000000       0.000000 27.06456 10.85806 ?        ?        ?              ?        
1 1 1 -11 42 24 o 18.50204 8.160110 7.206397       28.84958 55.26000       41.09484 -39.49000      40.51036 27.39330 10.66136 16.39495 7.969032 10.99836       13.31052 
1 1 1 -11 42 25 o 25.71242 10.52913 46.54000       42.18970 0.000000       0.000000 46.54000       42.18970 ?        ?        25.71242 10.52913 ?              ?        
1 1 1 -11 42 26 o 23.44065 9.076649 35.31554       29.66976 20.60000       42.24479 49.64000       41.67966 21.95066 9.767427 25.99658 10.53242 -4.045919      14.36435 
1 1 1 -11 42 27 o 32.59186 9.259022 73.55786       30.91964 67.12000       44.45617 79.59000       43.03252 28.68653 11.10982 31.19234 11.14603 -2.505812      15.73729 
1 1 1 -11 43 1  o 24.84735 7.383981 36.93472       19.27007 22.75000       43.43362 40.41115       21.50218 23.21226 10.13110 25.73518 7.834434 -2.522928      12.80694 
1 1 1 -11 43 2  o 16.68869 7.496992 -1.528014      25.52694 -37.70000      41.18697 21.03312       32.52776 16.94991 8.190146 21.67239 9.091285 -4.722481      12.23642 
1 1 1 -11 43 3  o 26.67048 7.171297 42.26657       19.12439 48.13000       43.32621 40.84771       21.31306 26.86968 10.79061 25.89125 7.782518 0.9784317      13.30432 
1 1 1 -11 43 4  o 32.39055 6.964652 61.22387       21.42454 15.50000       44.22894 75.24198       24.48949 22.40938 9.981454 35.78048 7.241271 -13.37110      12.33148 
1 1 1 -11 43 5  o 42.27206 5.607665 97.81597       22.63107 92.05000       45.63754 99.69621       26.06105 34.79567 11.51452 41.89797 6.570556 -7.102306      13.25731 
1 1 1 -11 43 6  o 13.89330 6.360910 -7.378306      19.47011 0.000000       0.000000 -7.378306      19.47011 ?        ?        13.89330 6.360910 ?              ?        
1 1 1 -11 43 7  o 21.46003 7.328792 26.50872       18.48021 41.44000       42.18353 22.96244       20.55798 25.73467 10.53216 20.56190 7.648226 5.172775       13.01621 
1 1 1 -11 43 8  o 17.98572 7.251698 13.44423       19.65157 -12.96000      40.44761 21.60289       22.48359 18.79562 8.797791 20.43246 7.904191 -1.636841      11.82698 
1 1 1 -11 43 9  o 22.39428 7.917096 29.34650       21.65851 -10.56000      41.44832 44.33585       25.40250 19.20926 8.963343 26.48670 8.580430 -7.277439      12.40828 
1 1 1 -11 43 10 o 21.86452 7.922797 27.43686       21.83102 53.78000       41.36715 17.26800       25.70147 27.78063 10.72823 19.94295 8.197952 7.837683       13.50190 
1 1 1 -11 43 11 o 30.45992 6.971282 54.48531       20.33444 66.98000       44.03101 51.09803       22.92565 29.99168 11.18579 28.80728 7.896552 1.184399       13.69224 
1 1 1 -11 43 12 f 59.24470 5.026938 187.8796       28.87643 0.000000       0.000000 187.8796       28.87643 ?        ?        59.24470 5.026938 ?              ?        
1 1 1 -11 43 13 o 18.29607 7.881204 8.942371       25.58981 0.6945000      42.85829 13.51178       31.90026 20.44122 9.387954 20.23389 8.757951 0.2073250      12.83882 
1 1 1 -11 43 14 o 33.54791 7.020323 66.14270       22.31166 22.32000       44.12838 81.19296       25.86070 23.01266 10.12299 36.92332 7.413196 -13.91066      12.54713 
1 1 1 -11 43 15 o 32.81302 7.753328 65.70528       24.50456 17.33000       43.17820 88.68848       29.76172 22.29015 9.899154 37.79157 8.275361 -15.50142      12.90251 
1 1 1 -11 43 16 o 18.61911 7.524484 15.14050       21.21212 -20.88000      41.54069 27.84560       24.67106 18.20046 8.638865 22.05057 8.341242 -3.850115      12.00859 
1 1 1 -11 43 17 o 14.41653 6.575867 -6.017314      20.55592 -31.45000      40.92292 2.565178       23.77263 17.20395 8.275326 16.74373 7.395022 0.4602184      11.09808 
1 1 1 -11 43 18 o 40.57446 5.746733 91.47585       22.18544 66.31000       44.32952 99.88537       25.62552 29.36572 11.16426 41.78719 6.474293 -12.42147      12.90570 
1 1 1 -11 43 19 o 26.43410 7.640073 43.25519       20.87832 36.79000       42.63001 45.29528       23.94690 24.53916 10.35730 26.60069 8.298283 -2.061529      13.27160 
1 1 1 -11 43 20 o 17.20428 7.883628 -4.123951      29.99422 -15.58000      41.81572 8.017000       43.04756 18.47349 8.738641 20.91394 9.530519 -2.440451      12.93038 
1 1 1 -11 43 21 o 22.17611 9.815473 21.02000       42.10023 21.02000       42.10023 0.000000       0.000000 22.17611 9.815473 ?        ?        ?              ?        
1 1 1 -11 43 22 o 16.75471 7.723403 -5.692747      29.38526 -10.96000      42.07411 -0.6767000     41.05855 18.75147 8.838381 19.53956 9.050265 -0.7880898     12.65007 
1 1 1 -11 43 23 o 29.75473 11.14911 73.05000       43.84589 0.000000       0.000000 73.05000       43.84589 ?        ?        29.75473 11.14911 ?              ?        
1 1 1 -11 43 24 o 23.90822 9.233452 37.92237       30.64431 17.19000       44.42634 56.74000       42.32516 21.68218 9.801631 27.01749 10.72662 -5.335310      14.53039 
1 1 1 -11 44 1  o 17.59541 7.084255 13.00311       18.72555 35.03000       41.23449 7.280346       21.01778 24.44863 10.24460 16.88127 7.204391 7.567362       12.52418 
1 1 1 -11 44 2  o 23.12732 7.476776 32.12032       19.29399 14.69000       42.22643 36.71950       21.69061 21.82779 9.735666 24.41868 7.930203 -2.590895      12.55672 
1 1 1 -11 44 3  f 18.91758 8.085616 11.58522       26.54563 5.730000       41.24891 15.72446       34.68175 20.66536 9.382818 20.94111 9.097533 -0.2757492     13.06914 
1 1 1 -11 44 4  o 17.42277 7.001568 12.73711       18.25414 47.15000       41.47888 4.471426       20.32852 26.35778 10.56733 16.14315 6.989314 10.21462       12.66961 
1 1 1 -11 44 5  o 27.17847 7.475521 44.97311       20.50623 50.54000       43.18518 43.35249       23.30068 26.90154 10.78347 26.24756 8.185156 0.6539783      13.53809 
1 1 1 -11 44 6  o 23.02070 7.698051 31.95066       20.38666 26.45000       42.12455 33.63306       23.29666 23.27487 10.06913 23.45510 8.217740 -0.1802330     12.99687 
1 1 1 -11 44 7  o 42.01991 5.393296 96.47770       21.67190 48.39000       45.34436 110.7142       24.67223 26.54366 10.89774 44.72232 5.770443 -18.17867      12.33121 
1 1 1 -11 44 8  o 20.04795 7.628033 21.46320       20.70510 -13.29000      42.78320 32.09224       23.66044 19.02657 8.950850 23.02765 8.260575 -4.001083      12.18010 
1 1 1 -11 44 9  o 23.78729 8.039890 34.74982       22.23407 0.000000       0.000000 34.74982       22.23407 ?        ?        23.78729 8.039890 ?              ?        
1 1 1 -11 44 10 f 14.63078 6.545143 -1.920492      19.23598 -39.59000      42.66800 7.688769       21.55025 16.98141 8.236506 17.08310 7.292933 -0.1016827     11.00122 
1 1 1 -11 44 11 o 30.17397 8.628578 58.84080       26.76550 0.000000       0.000000 58.84080       26.76550 ?        ?        30.17397 8.628578 ?              ?        
1 1 1 -11 44 12 o 42.00030 5.604487 97.37128       22.46609 36.83000       45.40411 116.9991       25.85266 24.77242 10.58097 45.81109 5.902400 -21.03867      12.11591 
1 1 1 -11 44 13 o 19.13386 7.547356 18.09947       20.82818 -12.22000      41.84316 28.08627       24.01468 18.83153 8.856874 21.90502 8.241987 -3.073492      12.09854 
1 1 1 -11 44 14 o 19.05097 7.978181 14.65155       24.98574 18.53000       41.22371 12.39943       31.41329 21.92661 9.708518 19.76304 8.620964 2.163568       12.98370 
1 1 1 -11 44 15 f 33.55766 7.777150 69.69193       25.04575 55.06000       43.59533 76.90054       30.59954 27.21591 10.85978 33.97227 9.042899 -6.756353      14.13183 
1 1 1 -11 44 16 o 27.59052 8.516209 49.95617       25.29664 76.64000       43.27009 36.10046       31.18015 30.98917 11.16421 23.80304 9.280201 7.186138       14.51763 
1 1 1 -11 44 17 o 27.34590 7.680270 46.97876       21.39965 74.70000       43.09707 37.90725       24.65366 30.48797 11.11939 24.23372 8.456265 6.254248       13.96958 
1 1 1 -11 44 18 o 26.28465 7.667277 43.60868       20.93973 48.73000       43.06117 42.02260       23.96387 25.83670 10.61500 25.35284 8.341780 0.4838638      13.50050 
1 1 1 -11 44 19 o 22.20680 9.870494 23.12000       43.02019 23.12000       43.02019 0.000000       0.000000 22.20680 9.870494 ?        ?        ?              ?        
1 1 1 -11 44 20 o 26.36535 9.628981 49.96319       32.33435 27.48000       42.75929 79.99000       49.41470 22.67960 9.971010 30.08248 11.69569 -7.402878      15.36913 
1 1 1 -11 44 21 o 23.02257 10.03864 31.45000       42.55637 31.45000       42.55637 0.000000       0.000000 23.02257 10.03864 ?        ?        ?              ?        
1 1 1 -11 45 1  o 23.39788 7.728416 33.68187       20.56240 13.75000       38.53148 41.61833       24.31394 20.99106 9.335082 25.44657 8.403857 -4.455505      12.56060 
1 1 1 -11 45 2  o 40.77087 5.933590 93.38028       22.98524 113.8000       44.14045 85.78329       26.92357 38.87828 11.06878 37.58294 7.580589 1.295334       13.41578 
1 1 1 -11 45 3  o 20.14597 7.543187 22.54942       20.06287 -15.92000      41.34386 34.39876       22.94564 18.36240 8.687016 23.49331 8.160527 -5.130905      11.91883 
1 1 1 -11 45 4  f 31.39132 9.678907 69.03168       32.68609 53.23000       44.99968 86.68000       47.55643 26.89973 10.92717 32.37247 11.69862 -5.472733      16.00815 
1 1 1 -11 45 5  o 17.77291 7.223791 13.45094       19.67950 56.39000       42.86878 1.985830       22.15154 27.46316 10.82935 16.09163 7.121246 11.37153       12.96098 
1 1 1 -11 45 6  o 25.48475 8.232594 41.59642       23.39477 57.88000       42.58994 34.56000       27.99678 27.70570 10.83324 23.47431 8.884355 4.231396       14.01038 
1 1 1 -11 45 7  o 15.06472 6.811045 -3.008893      21.46055 35.88000       39.80956 -18.94000      25.47989 24.09699 10.07948 14.26259 6.768605 9.834396       12.14125 
1 1 1 -11 45 8  o 19.47657 7.279290 20.78313       18.66626 5.754000       40.90946 24.73481       20.97721 20.29678 9.265212 20.75586 7.724766 -0.4590797     12.06301 
1 1 1 -11 45 9  o 24.43713 8.214095 38.14606       23.20855 0.000000       0.000000 38.14606       23.20855 ?        ?        24.43713 8.214095 ?              ?        
1 1 1 -11 45 10 o 36.38427 6.282917 76.17838       21.56726 -12.84000      44.82538 102.9932       24.60208 19.08325 9.033191 42.59581 6.072366 -23.51255      10.88449 
1 1 1 -11 45 11 o 23.33207 7.651580 33.89585       20.16904 -29.03000      42.12941 52.60623       22.97271 17.32164 8.348253 28.74327 7.914863 -11.42163      11.50384 
1 1 1 -11 45 12 f 24.04779 8.337320 37.39100       23.94532 0.000000       0.000000 37.39100       23.94532 ?        ?        24.04779 8.337320 ?              ?        
1 1 1 -11 45 13 f 17.99660 7.407670 14.00536       21.02133 9.985000       42.73803 15.28842       24.14381 20.73613 9.467392 18.80228 7.856083 1.933847       12.30242 
1 1 1 -11 45 14 o 23.34887 9.223955 35.50509       31.15239 33.97000       42.88569 37.22000       45.32795 23.49978 10.16305 24.01876 10.41779 -0.5189800     14.55397 
1 1 1 -11 45 15 o 18.70146 7.851502 15.12287       24.29202 54.56000       42.48150 -4.037674      29.61087 26.42209 10.65891 16.84846 7.761708 9.573627       13.18546 
1 1 1 -11 45 16 o 27.82207 8.497641 52.01446       25.26924 26.85000       42.56605 65.70908       31.40108 22.50338 9.918914 30.19608 9.514385 -7.692692      13.74439 
1 1 1 -11 45 17 f 19.72368 9.106380 4.753000       41.08327 4.753000       41.08327 0.000000       0.000000 19.72368 9.106380 ?        ?        ?              ?        
1 1 1 -11 46 1  o 28.71026 7.604796 52.03788       21.70800 78.85000       39.54359 40.47235       25.97129 31.54424 10.72154 24.60961 8.672302 6.934626       13.78986 
1 1 1 -11 46 2  o 18.29386 7.370711 16.04251       20.28621 -23.39000      37.53033 32.31908       24.11218 16.70514 8.006420 22.59025 8.304515 -5.885109      11.53550 
1 1 1 -11 46 3  o 40.42905 5.605297 91.72068       21.58592 71.23000       41.62787 99.25677       25.24520 29.56919 10.90444 41.25606 6.463614 -11.68687      12.67616 
1 1 1 -11 46 4  o 16.59861 6.931732 10.00824       18.78201 -13.13000      37.63927 17.67997       21.67317 17.58399 8.309750 18.86528 7.612290 -1.281292      11.26938 
1 1 1 -11 46 5  o 30.24198 9.723866 67.05644       32.66313 84.15000       40.81976 36.63000       54.46027 32.27926 10.89374 24.19203 10.90189 8.087225       15.41184 
1 1 1 -11 46 6  o 17.01079 7.025921 11.72280       18.99689 -9.557000      38.01959 18.80323       21.93076 17.94403 8.440413 19.12477 7.678219 -1.180744      11.41033 
1 1 1 -11 46 7  o 23.05479 7.785375 33.89371       20.84855 68.63000       39.58746 20.56173       24.52525 29.17470 10.65445 19.79569 8.057454 9.379009       13.35814 
1 1 1 -11 46 8  o 19.71480 7.794276 21.36602       22.25929 0.000000       0.000000 21.36602       22.25929 ?        ?        19.71480 7.794276 ?              ?        
1 1 1 -11 46 9  o 21.01850 7.610250 26.87581       20.13742 5.881000       39.86257 34.06944       23.33369 19.72557 9.057302 22.95607 8.207031 -3.230503      12.22252 
1 1 1 -11 46 10 o 28.71913 7.332868 51.53546       20.68245 27.53000       41.39012 59.52428       23.87718 22.41953 9.834835 30.34167 7.946761 -7.922150      12.64417 
1 1 1 -11 46 11 o 17.55145 8.022222 0.5552982      30.79660 16.29000       40.14021 -21.96000      48.01636 20.80890 9.369964 18.47323 8.905572 2.335678       12.92693 
1 1 1 -10 0  1  o 57.39695 4.022703 163.6289       22.34065 163.6289       22.34065 163.6289       22.34065 57.39695 4.022703 57.39695 4.022703 0.000000       0.000000 
1 1 1 -10 0  2  o 809.0040 21.29047 32280.65       1683.301 32280.65       1683.301 32280.65       1683.301 809.0040 21.29047 809.0040 21.29047 0.000000       0.000000 
1 1 1 -10 0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 0  4  o 324.2270 8.817937 5161.327       279.3802 5161.327       279.3802 5161.327       279.3802 324.2270 8.817937 324.2270 8.817937 0.000000       0.000000 
1 1 1 -10 0  5  o 193.6517 5.745545 1840.961       108.6906 1840.961       108.6906 1840.961       108.6906 193.6517 5.745545 193.6517 5.745545 0.000000       0.000000 
1 1 1 -10 0  6  o 294.7000 11.49149 4277.000       330.3374 4277.000       330.3374 4277.000       330.3374 294.7000 11.49149 294.7000 11.49149 0.000000       0.000000 
1 1 1 -10 0  7  o 52.54107 7.199418 142.6000       35.05499 142.6000       35.05499 142.6000       35.05499 52.54107 7.199418 52.54107 7.199418 0.000000       0.000000 
1 1 1 -10 0  8  o 152.6959 6.983334 1149.000       103.8762 1149.000       103.8762 1149.000       103.8762 152.6959 6.983334 152.6959 6.983334 0.000000       0.000000 
1 1 1 -10 0  9  o 11.08785 7.667479 -23.08000      28.30077 -23.08000      28.30077 -23.08000      28.30077 11.08785 7.667479 11.08785 7.667479 0.000000       0.000000 
1 1 1 -10 0  10 o 112.3132 6.192141 623.3000       67.59712 623.3000       67.59712 623.3000       67.59712 112.3132 6.192141 112.3132 6.192141 0.000000       0.000000 
1 1 1 -10 0  11 o 35.60968 8.660382 72.07709       26.15516 72.07709       26.15516 72.07709       26.15516 35.60968 8.660382 35.60968 8.660382 0.000000       0.000000 
1 1 1 -10 0  12 o 250.6695 7.088383 3084.988       173.6077 3084.988       173.6077 3084.988       173.6077 250.6695 7.088383 250.6695 7.088383 0.000000       0.000000 
1 1 1 -10 0  13 o 566.8801 15.00714 15818.53       831.3942 15818.53       831.3942 15818.53       831.3942 566.8801 15.00714 566.8801 15.00714 0.000000       0.000000 
1 1 1 -10 0  14 o 280.3144 7.803888 3858.763       213.7474 3858.763       213.7474 3858.763       213.7474 280.3144 7.803888 280.3144 7.803888 0.000000       0.000000 
1 1 1 -10 0  15 f 150.3916 5.066983 1111.275       74.39765 1111.275       74.39765 1111.275       74.39765 150.3916 5.066983 150.3916 5.066983 0.000000       0.000000 
1 1 1 -10 0  16 o 342.2002 9.322998 5755.059       311.7545 5755.059       311.7545 5755.059       311.7545 342.2002 9.322998 342.2002 9.322998 0.000000       0.000000 
1 1 1 -10 0  17 o 90.10938 4.731847 400.8887       41.47127 400.8887       41.47127 400.8887       41.47127 90.10938 4.731847 90.10938 4.731847 0.000000       0.000000 
1 1 1 -10 0  18 o 8.441103 6.091541 -47.70626      25.64488 -47.70626      25.64488 -47.70626      25.64488 8.441103 6.091541 8.441103 6.091541 0.000000       0.000000 
1 1 1 -10 0  19 o 90.81547 4.687497 407.1363       41.41361 407.1363       41.41361 407.1363       41.41361 90.81547 4.687497 90.81547 4.687497 0.000000       0.000000 
1 1 1 -10 0  20 o 102.6805 4.620383 519.5161       46.22318 519.5161       46.22318 519.5161       46.22318 102.6805 4.620383 102.6805 4.620383 0.000000       0.000000 
1 1 1 -10 0  21 o 224.0529 6.524332 2467.071       142.8099 2467.071       142.8099 2467.071       142.8099 224.0529 6.524332 224.0529 6.524332 0.000000       0.000000 
1 1 1 -10 0  22 o 127.5689 4.743423 800.4952       59.04402 800.4952       59.04402 800.4952       59.04402 127.5689 4.743423 127.5689 4.743423 0.000000       0.000000 
1 1 1 -10 0  23 o 136.2387 4.873709 912.8570       64.80403 912.8570       64.80403 912.8570       64.80403 136.2387 4.873709 136.2387 4.873709 0.000000       0.000000 
1 1 1 -10 0  24 o 228.1653 6.636660 2559.770       147.9356 2559.770       147.9356 2559.770       147.9356 228.1653 6.636660 228.1653 6.636660 0.000000       0.000000 
1 1 1 -10 0  25 o 248.9095 10.07403 3063.000       244.5275 3063.000       244.5275 3063.000       244.5275 248.9095 10.07403 248.9095 10.07403 0.000000       0.000000 
1 1 1 -10 0  26 o 235.7826 9.762279 2749.000       224.4240 2749.000       224.4240 2749.000       224.4240 235.7826 9.762279 235.7826 9.762279 0.000000       0.000000 
1 1 1 -10 0  27 o 257.9183 7.342491 3273.787       185.0270 3273.787       185.0270 3273.787       185.0270 257.9183 7.342491 257.9183 7.342491 0.000000       0.000000 
1 1 1 -10 0  28 o 131.5358 5.000266 851.7704       64.16727 851.7704       64.16727 851.7704       64.16727 131.5358 5.000266 131.5358 5.000266 0.000000       0.000000 
1 1 1 -10 0  29 o 38.37570 9.443986 84.24239       30.71445 84.24239       30.71445 84.24239       30.71445 38.37570 9.443986 38.37570 9.443986 0.000000       0.000000 
1 1 1 -10 0  30 o 46.54845 7.374837 114.0941       31.08050 114.0941       31.08050 114.0941       31.08050 46.54845 7.374837 46.54845 7.374837 0.000000       0.000000 
1 1 1 -10 0  31 o 119.1064 4.826181 699.1078       56.05547 699.1078       56.05547 699.1078       56.05547 119.1064 4.826181 119.1064 4.826181 0.000000       0.000000 
1 1 1 -10 0  32 o 123.5807 7.289834 759.1000       87.47205 759.1000       87.47205 759.1000       87.47205 123.5807 7.289834 123.5807 7.289834 0.000000       0.000000 
1 1 1 -10 0  33 o 15.75243 10.53637 -15.28000      44.89021 -15.28000      44.89021 -15.28000      44.89021 15.75243 10.53637 15.75243 10.53637 0.000000       0.000000 
1 1 1 -10 0  34 o 27.42207 11.02945 51.64030       28.81149 51.64030       28.81149 51.64030       28.81149 27.42207 11.02945 27.42207 11.02945 0.000000       0.000000 
1 1 1 -10 0  35 o 44.55632 10.39462 112.9000       39.41228 112.9000       39.41228 112.9000       39.41228 44.55632 10.39462 44.55632 10.39462 0.000000       0.000000 
1 1 1 -10 0  36 o 120.1837 6.711159 719.5000       78.38239 719.5000       78.38239 719.5000       78.38239 120.1837 6.711159 120.1837 6.711159 0.000000       0.000000 
1 1 1 -10 0  37 o 13.03382 8.637615 -6.811422      29.00374 -6.811422      29.00374 -6.811422      29.00374 13.03382 8.637615 13.03382 8.637615 0.000000       0.000000 
1 1 1 -10 0  38 o 14.30678 9.230457 0.5640713      30.02456 0.5640713      30.02456 0.5640713      30.02456 14.30678 9.230457 14.30678 9.230457 0.000000       0.000000 
1 1 1 -10 0  39 o 121.1762 4.988492 727.5074       58.94036 727.5074       58.94036 727.5074       58.94036 121.1762 4.988492 121.1762 4.988492 0.000000       0.000000 
1 1 1 -10 0  40 o 114.2252 4.982005 647.2706       55.46046 647.2706       55.46046 647.2706       55.46046 114.2252 4.982005 114.2252 4.982005 0.000000       0.000000 
1 1 1 -10 0  41 o 10.03743 7.126712 -38.72771      29.71726 -38.72771      29.71726 -38.72771      29.71726 10.03743 7.126712 10.03743 7.126712 0.000000       0.000000 
1 1 1 -10 0  42 o 68.67681 5.954197 239.0253       39.30466 239.0253       39.30466 239.0253       39.30466 68.67681 5.954197 68.67681 5.954197 0.000000       0.000000 
1 1 1 -10 0  43 o 74.01469 5.727641 276.4881       40.90859 276.4881       40.90859 276.4881       40.90859 74.01469 5.727641 74.01469 5.727641 0.000000       0.000000 
1 1 1 -10 0  44 o 87.10068 5.371362 380.3131       45.39099 380.3131       45.39099 380.3131       45.39099 87.10068 5.371362 87.10068 5.371362 0.000000       0.000000 
1 1 1 -10 0  45 o 83.37801 5.469862 349.8258       44.19403 349.8258       44.19403 349.8258       44.19403 83.37801 5.469862 83.37801 5.469862 0.000000       0.000000 
1 1 1 -10 0  46 f 17.98339 10.71926 20.02373       33.20741 20.02373       33.20741 20.02373       33.20741 17.98339 10.71926 17.98339 10.71926 0.000000       0.000000 
1 1 1 -10 0  47 o 79.56373 5.654931 321.0125       43.51928 321.0125       43.51928 321.0125       43.51928 79.56373 5.654931 79.56373 5.654931 0.000000       0.000000 
1 1 1 -10 0  48 o 24.12258 11.93042 46.10899       33.83873 46.10899       33.83873 46.10899       33.83873 24.12258 11.93042 24.12258 11.93042 0.000000       0.000000 
1 1 1 -10 0  49 o 17.14407 11.38035 -4.410000      50.69178 -4.410000      50.69178 -4.410000      50.69178 17.14407 11.38035 17.14407 11.38035 0.000000       0.000000 
1 1 1 -10 0  50 o 22.31279 13.01869 37.93000       47.17778 37.93000       47.17778 37.93000       47.17778 22.31279 13.01869 22.31279 13.01869 0.000000       0.000000 
1 1 1 -10 0  51 o 37.74416 13.63380 101.8000       46.18325 101.8000       46.18325 101.8000       46.18325 37.74416 13.63380 37.74416 13.63380 0.000000       0.000000 
1 1 1 -10 0  52 o 42.05826 12.79566 117.2000       45.98171 117.2000       45.98171 117.2000       45.98171 42.05826 12.79566 42.05826 12.79566 0.000000       0.000000 
1 1 1 -10 0  53 o 58.48804 6.782331 181.0645       37.47000 181.0645       37.47000 181.0645       37.47000 58.48804 6.782331 58.48804 6.782331 0.000000       0.000000 
1 1 1 -10 0  54 o 77.59290 5.565958 308.3676       41.76381 308.3676       41.76381 308.3676       41.76381 77.59290 5.565958 77.59290 5.565958 0.000000       0.000000 
1 1 1 -10 0  55 o 19.40031 10.92827 29.64960       31.58442 29.64960       31.58442 29.64960       31.58442 19.40031 10.92827 19.40031 10.92827 0.000000       0.000000 
1 1 1 -10 0  56 o 33.55428 13.87985 88.58000       45.27302 88.58000       45.27302 88.58000       45.27302 33.55428 13.87985 33.55428 13.87985 0.000000       0.000000 
1 1 1 -10 0  57 o 33.74443 11.46844 78.54401       33.93977 78.54401       33.93977 78.54401       33.93977 33.74443 11.46844 33.74443 11.46844 0.000000       0.000000 
1 1 1 -10 0  58 f 14.38436 9.351347 3.025294       31.61955 3.025294       31.61955 3.025294       31.61955 14.38436 9.351347 14.38436 9.351347 0.000000       0.000000 
1 1 1 -10 0  59 o 39.10828 10.17311 95.09940       33.64870 95.09940       33.64870 95.09940       33.64870 39.10828 10.17311 39.10828 10.17311 0.000000       0.000000 
1 1 1 -10 0  60 o 50.29244 7.868594 140.5912       35.90765 140.5912       35.90765 140.5912       35.90765 50.29244 7.868594 50.29244 7.868594 0.000000       0.000000 
1 1 1 -10 0  61 o 14.75676 10.10544 -16.38000      46.41295 -16.38000      46.41295 -16.38000      46.41295 14.75676 10.10544 14.75676 10.10544 0.000000       0.000000 
1 1 1 -10 1  1  o 199.0073 4.726530 1939.364       92.06991 1706.000       147.5439 2088.186       117.8252 186.3732 8.107221 206.3890 5.838242 -20.01585      9.990601 
1 1 1 -10 1  2  o 383.0330 7.249225 7189.910       271.7903 7170.034       384.1263 7209.835       384.6134 382.1108 10.27953 383.1726 10.26396 -1.061829      14.52644 
1 1 1 -10 1  3  o 379.8728 7.201200 7071.648       267.7622 6653.750       363.2247 7569.061       396.2764 368.1089 10.09027 392.6010 10.32090 -24.49210      14.43379 
1 1 1 -10 1  4  o 445.7029 9.664811 9745.283       421.6431 9916.000       739.1125 9662.921       513.3745 448.1955 16.87771 443.3972 11.83924 4.798309       20.61613 
1 1 1 -10 1  5  o 296.5854 6.621603 4309.843       192.2291 4236.000       328.6594 4348.239       236.9941 293.4851 11.46277 297.7080 8.140454 -4.222870      14.05924 
1 1 1 -10 1  6  o 262.6811 5.958123 3380.116       153.1950 3429.000       267.2541 3356.193       186.9593 264.1282 10.35729 261.5878 7.308856 2.540405       12.67647 
1 1 1 -10 1  7  o 423.9431 11.31700 8831.917       469.1982 8950.000       669.5852 8718.000       657.6683 425.8924 16.09094 420.3449 16.01363 5.547516       22.70143 
1 1 1 -10 1  8  o 15.48718 6.793959 -5.196754      19.75289 11.91000       27.16834 -24.38000      28.77003 21.65662 8.595354 16.40882 7.591650 5.247793       11.46792 
1 1 1 -10 1  9  o 54.43933 4.913242 146.3201       25.89958 140.2000       36.25282 152.7000       37.01410 53.00598 7.171092 55.38449 6.982547 -2.378510      10.00902 
1 1 1 -10 1  10 o 165.8601 4.259456 1347.934       69.09438 1373.365       85.48034 1300.000       117.3556 167.3696 5.224150 162.6872 7.388889 4.682358       9.049168 
1 1 1 -10 1  11 o 123.4160 3.725943 746.4348       44.95896 742.7567       55.05221 753.8000       77.90250 123.0698 4.577988 123.8622 6.447688 -0.7924423     7.907633 
1 1 1 -10 1  12 o 67.64006 3.501687 224.6001       23.10502 204.8812       32.02908 245.9951       33.36258 64.47289 5.117240 70.70502 4.849998 -6.232132      7.050435 
1 1 1 -10 1  13 o 277.0529 5.437276 3760.328       147.4519 3774.343       209.0663 3746.456       207.9947 277.3256 7.709203 276.2995 7.698205 1.026154       10.89469 
1 1 1 -10 1  14 o 86.28852 3.308267 365.0831       27.89039 360.7879       39.26578 369.4566       39.62257 85.69668 4.699042 86.72410 4.685027 -1.027420      6.635546 
1 1 1 -10 1  15 o 205.2293 4.296717 2062.915       86.31421 2076.391       122.4009 2049.585       121.7353 205.7314 6.084927 204.3973 6.091438 1.334015       8.609992 
1 1 1 -10 1  16 o 186.3069 4.026862 1700.021       73.43478 1733.327       105.1526 1668.312       102.5994 187.9658 5.721909 184.4061 5.690934 3.559738       8.070128 
1 1 1 -10 1  17 o 137.4034 3.430592 924.5492       46.13949 935.3839       65.50777 913.8827       64.99741 138.0800 4.854360 136.4805 4.873229 1.599487       6.878457 
1 1 1 -10 1  18 o 288.7821 5.651087 4088.864       159.7381 4031.504       223.7797 4148.456       228.0896 286.3806 7.990898 290.5019 8.029102 -4.121277      11.32788 
1 1 1 -10 1  19 o 73.81268 3.436527 267.4253       24.76072 256.9783       34.62279 278.3619       35.42487 72.23920 4.925940 75.20580 4.837941 -2.966591      6.904387 
1 1 1 -10 1  20 o 94.42776 3.260015 437.2387       30.08664 468.2056       43.03201 407.6243       42.08176 97.63492 4.514999 91.06748 4.737181 6.567436       6.544166 
1 1 1 -10 1  21 o 37.76889 5.504709 71.43851       19.75229 88.78957       27.66708 53.40144       28.20871 41.96057 6.981415 32.39195 8.709473 9.568623       11.16222 
1 1 1 -10 1  22 f 222.4910 4.576909 2426.900       99.67607 2457.618       141.8393 2396.929       140.1032 223.6069 6.487307 220.8262 6.488774 2.780685       9.175475 
1 1 1 -10 1  23 o 82.49307 3.382626 333.9570       27.25558 373.8060       38.60363 294.3484       38.48706 87.19554 4.538634 77.29197 5.115934 9.903572       6.839005 
1 1 1 -10 1  24 o 260.3533 5.992057 3329.089       152.7022 3398.415       189.5739 3201.000       257.6848 262.7109 7.379464 254.2026 10.37807 8.508286       12.73424 
1 1 1 -10 1  25 o 191.6380 4.788085 1801.683       89.81520 1816.000       157.3341 1794.763       109.3907 191.7423 8.403393 191.0678 5.855978 0.6744690      10.24253 
1 1 1 -10 1  26 o 162.5761 3.763089 1295.596       59.88353 1300.633       84.87170 1290.603       84.50569 162.6764 5.337285 162.0476 5.334940 0.6288300      7.546403 
1 1 1 -10 1  27 f 244.2040 5.720671 2929.826       136.7433 3150.000       245.9816 2831.353       164.5045 252.0396 9.990540 239.7336 7.017953 12.30602       12.20912 
1 1 1 -10 1  28 o 350.8356 6.768557 6059.211       232.4373 5952.414       324.7601 6171.375       332.8201 346.5922 9.581965 352.8857 9.644435 -6.293427      13.59519 
1 1 1 -10 1  29 o 325.1883 7.346523 5214.747       233.8423 4945.000       390.9483 5365.018       291.7956 314.0562 12.74409 329.0716 9.067681 -15.01541      15.64080 
1 1 1 -10 1  30 o 95.91854 3.416939 451.6567       32.02961 478.8080       45.83158 425.7370       44.78013 98.62491 4.761646 92.96400 4.938847 5.660904       6.860429 
1 1 1 -10 1  31 o 151.0970 5.355178 1124.322       79.07673 1156.000       113.0743 1094.000       110.6285 152.7407 7.586903 148.5670 7.633027 4.173691       10.76217 
1 1 1 -10 1  32 o 81.70591 5.503326 330.1595       43.75666 310.9000       61.27541 350.2000       62.50546 78.79958 8.057624 83.75362 7.710940 -4.954041      11.15275 
1 1 1 -10 1  33 o 131.4174 4.065669 849.3254       52.23581 809.8000       90.56604 869.0286       63.94345 127.6414 7.279001 132.7857 4.928252 -5.144249      8.790422 
1 1 1 -10 1  34 o 54.16225 6.273842 146.9854       32.64666 0.000000       0.000000 146.9854       32.64666 ?        ?        54.16225 6.273842 ?              ?        
1 1 1 -10 1  35 o 47.11752 5.374640 111.0524       24.34504 128.7000       40.26020 100.8799       30.56659 50.04357 8.524303 44.47303 7.272882 5.570545       11.20529 
1 1 1 -10 1  36 o 96.41241 3.944152 458.3906       37.14283 448.5472       46.28281 476.2000       62.25470 95.15465 4.986569 97.63190 6.552335 -2.477257      8.234014 
1 1 1 -10 1  37 o 98.76669 3.928125 481.4371       37.89962 474.8426       47.13395 493.5000       63.74862 97.85036 4.937086 99.25300 6.599252 -1.402634      8.241659 
1 1 1 -10 1  38 o 61.22041 4.286547 186.0299       25.52449 209.6588       36.20002 162.6679       35.99501 64.65706 5.780797 56.66453 6.613935 7.992531       8.784176 
1 1 1 -10 1  39 o 61.27536 4.212700 186.5267       25.11319 192.4007       35.35239 180.5432       35.68071 61.80077 5.916264 59.76896 6.188321 2.031811       8.561396 
1 1 1 -10 1  40 o 46.13480 5.297852 107.3662       23.49041 110.3116       33.03804 104.3548       33.40591 46.08778 7.587362 44.68651 7.927610 1.401268       10.97338 
1 1 1 -10 1  41 o 39.32710 6.259454 79.55328       23.28861 104.3736       32.96972 54.83696       32.90054 44.64197 7.830514 32.13405 9.671711 12.50792       12.44423 
1 1 1 -10 1  42 o 13.66905 6.414294 -21.17242      21.73090 -4.553771      30.63388 -38.00598      30.83133 19.27211 8.457351 15.38778 7.342802 3.884334       11.20016 
1 1 1 -10 1  43 f 74.85081 3.957834 278.5612       28.89442 280.3463       40.96584 276.7939       40.76070 74.48873 5.660951 74.00920 5.669819 0.4795303      8.012066 
1 1 1 -10 1  44 o 111.8245 3.602464 619.8732       39.38000 627.5366       55.64116 612.1820       55.74245 111.8074 5.097571 110.3871 5.173343 1.420319       7.262831 
1 1 1 -10 1  45 o 54.16346 4.875605 148.2463       25.57247 140.6764       35.92356 156.0231       36.41124 51.77073 7.290732 54.72194 6.954679 -2.951210      10.07583 
1 1 1 -10 1  46 o 48.14037 5.530843 118.9171       25.58906 123.6693       36.56509 114.3558       35.82312 47.92453 8.081944 45.95218 8.268358 1.972355       11.56216 
1 1 1 -10 1  47 o 80.63747 3.928558 325.5864       30.91487 374.4196       44.65654 280.6443       42.84044 85.67718 5.351654 73.75445 5.985562 11.92273       8.029144 
1 1 1 -10 1  48 o 78.68061 4.747667 313.8514       36.39392 302.3028       43.59675 340.4000       66.10153 76.52436 5.865036 78.87289 8.706784 -2.348526      10.49794 
1 1 1 -10 1  49 o 99.61966 4.359014 500.6844       42.40206 485.8842       50.93393 534.1000       76.53278 97.38938 5.363764 99.57262 7.917531 -2.183235      9.563329 
1 1 1 -10 1  50 o 34.80798 9.525188 70.30746       33.39022 0.000000       0.000000 70.30746       33.39022 ?        ?        34.80798 9.525188 ?              ?        
1 1 1 -10 1  51 f 43.53063 8.434257 106.4144       34.63942 0.000000       0.000000 106.4144       34.63942 ?        ?        43.53063 8.434257 ?              ?        
1 1 1 -10 1  52 o 36.50708 6.961411 72.69482       23.96836 59.42244       33.48465 86.64067       34.32369 31.74650 9.797832 38.58641 9.214932 -6.839911      13.45037 
1 1 1 -10 1  53 f 43.17159 6.788587 101.1188       27.74098 104.7304       34.58198 94.60000       46.46094 42.78318 8.557053 38.43948 11.47581 4.343704       14.31493 
1 1 1 -10 1  54 o 56.15089 4.697951 162.2891       25.58444 110.8113       35.47083 218.1120       36.93745 43.89091 8.563973 64.24489 5.941118 -20.35398      10.42298 
1 1 1 -10 1  55 o 57.07808 4.663943 167.5765       25.83028 174.2300       36.38994 160.8200       36.67075 56.82415 6.669266 54.26879 7.071433 2.555363       9.720303 
1 1 1 -10 1  56 o 41.58976 7.376758 96.37513       28.93063 122.8000       52.89931 85.09869       34.55650 42.83094 12.09147 37.62146 9.409051 5.209484       15.32103 
1 1 1 -10 1  57 o 56.78733 5.464846 169.3400       30.00171 147.0000       48.68494 183.0179       38.09467 48.68938 10.52283 57.97900 6.844316 -9.289623      12.55287 
1 1 1 -10 1  58 o 17.45635 7.442056 5.085850       22.38594 -16.42377      31.39298 27.33889       31.93089 17.02816 7.896266 23.82578 9.361116 -6.797617      12.24669 
1 1 1 -10 1  59 o 26.41307 8.071706 40.26220       22.79549 46.39383       32.29175 34.17147       32.18389 27.92988 9.682000 25.19359 9.527715 2.736288       13.58376 
1 1 1 -10 1  60 o 29.41364 8.725546 51.93452       26.92734 71.88184       32.75500 10.35000       47.29347 34.07453 9.477199 23.37192 10.37094 10.70261       14.04897 
1 1 1 -10 1  61 o 17.07484 7.397887 3.434957       22.80695 31.37184       32.37323 -24.09379      32.13588 24.25129 9.455764 16.22042 7.669224 8.030869       12.17491 
1 1 1 -10 2  1  o 548.2068 10.21903 14747.14       548.3529 14986.26       785.1028 14519.38       766.2183 551.7007 14.55111 543.0607 14.42723 8.640076       20.49096 
1 1 1 -10 2  2  o 346.9328 6.607891 5897.202       224.3957 5777.660       312.9958 6023.624       321.8773 343.0849 9.328975 350.3096 9.395598 -7.224731      13.24036 
1 1 1 -10 2  3  o 415.2831 9.031485 8457.887       367.1214 8421.000       633.9321 8476.500       450.3210 413.2230 15.70156 415.3764 11.08568 -2.153473      19.22060 
1 1 1 -10 2  4  o 558.6330 12.03325 15329.50       657.9844 14100.00       1073.316 16069.77       832.8360 533.4919 20.59254 571.2104 14.90831 -37.71851      25.42263 
1 1 1 -10 2  5  o 627.7103 13.48580 19373.88       828.5947 20460.00       1492.504 18889.97       996.2228 641.4977 23.81049 618.9045 16.45933 22.59326       28.94563 
1 1 1 -10 2  6  o 699.0350 15.00110 24055.20       1026.427 24630.00       1807.913 23781.80       1246.864 702.6289 26.33386 693.8050 18.37630 8.823914       32.11169 
1 1 1 -10 2  7  f 275.0964 6.206798 3707.563       167.1316 3809.000       293.9621 3659.113       203.1626 278.3383 10.81032 273.1178 7.606952 5.220551       13.21850 
1 1 1 -10 2  8  o 197.1868 5.799541 1906.342       111.8164 1894.000       157.1394 1919.000       159.1441 196.3736 8.193151 197.6633 8.243522 -1.289719      11.62254 
1 1 1 -10 2  9  o 358.2638 7.879104 6292.558       276.3033 6345.073       340.3251 6191.000       473.2647 359.4695 9.681024 354.4925 13.66485 4.976959       16.74665 
1 1 1 -10 2  10 o 354.8461 7.812982 6173.245       271.3708 6193.652       333.1425 6133.000       467.8377 355.1468 9.592101 352.8113 13.57242 2.335510       16.61984 
1 1 1 -10 2  11 o 348.0382 7.680309 5938.729       261.6447 6026.105       323.6812 5774.000       444.4334 350.3051 9.448473 342.3250 13.28886 7.980103       16.30544 
1 1 1 -10 2  12 o 315.1615 7.024429 4868.714       216.6957 4890.489       266.2624 4826.000       372.9157 315.6246 8.626611 313.0554 12.19311 2.569153       14.93621 
1 1 1 -10 2  13 o 381.0233 7.239904 7117.748       270.0166 7026.529       378.3701 7212.413       385.4507 378.1058 10.23285 383.0692 10.28914 -4.963379      14.51129 
1 1 1 -10 2  14 o 92.90768 3.268337 423.1435       29.67616 447.7878       42.04725 398.6831       41.89004 95.51070 4.510326 90.09232 4.767222 5.418381       6.562732 
1 1 1 -10 2  15 o 187.6224 4.040910 1724.013       74.21133 1721.573       104.9472 1726.454       104.9541 187.3381 5.729932 187.6043 5.722139 -0.2662201     8.097839 
1 1 1 -10 2  16 o 337.9587 6.490983 5600.808       214.7239 5503.091       299.9808 5703.477       307.4893 334.5493 9.169316 340.5795 9.232219 -6.030212      13.01193 
1 1 1 -10 2  17 o 215.2509 4.447893 2269.909       93.71423 2271.278       132.5062 2268.539       132.5577 215.1141 6.299833 214.9837 6.306132 0.1304626      8.913765 
1 1 1 -10 2  18 o 107.5226 3.233799 566.6689       33.99578 540.5875       47.36464 594.3812       48.82313 104.9320 4.622822 110.0444 4.542408 -5.112366      6.481046 
1 1 1 -10 2  19 o 186.7795 4.026844 1709.188       73.62075 1696.372       103.6103 1722.258       104.6281 185.8934 5.700938 187.3064 5.713439 -1.413055      8.071188 
1 1 1 -10 2  20 o 109.3447 3.267224 586.1263       34.92976 600.3448       49.37366 571.8796       49.42264 110.5778 4.571501 107.9106 4.690230 2.667221       6.549572 
1 1 1 -10 2  21 o 178.2289 3.917732 1556.498       68.34695 1498.437       94.52628 1620.107       98.93902 174.6828 5.535344 181.6393 5.571413 -6.956467      7.853704 
1 1 1 -10 2  22 o 154.2929 5.056420 1168.848       76.26203 1136.000       105.3573 1205.000       110.5302 151.8687 7.107166 156.4043 7.239452 -4.535629      10.14502 
1 1 1 -10 2  23 o 292.3385 6.614631 4199.438       189.2770 4217.022       232.6336 4165.000       325.5610 292.5397 8.132105 289.7461 11.50198 2.793671       14.08640 
1 1 1 -10 2  24 o 63.40254 4.443731 198.0845       27.40324 245.2000       50.49301 178.4132       32.62610 70.20020 7.462513 60.02409 5.618363 10.17611       9.341043 
1 1 1 -10 2  25 o 118.8614 3.322817 692.7867       38.62131 633.7292       52.66811 761.4828       56.80359 113.5594 4.748734 124.5065 4.669258 -10.94705      6.659763 
1 1 1 -10 2  26 f 274.9827 5.447374 3712.953       146.6219 3645.892       204.9351 3783.276       209.8620 271.9331 7.707018 277.0024 7.747662 -5.069336      10.92815 
1 1 1 -10 2  27 o 246.8037 4.991590 2989.898       120.5860 2903.184       167.5920 3082.982       173.6372 242.7412 7.060985 250.1421 7.098870 -7.400879      10.01257 
1 1 1 -10 2  28 o 240.1913 5.640185 2835.105       132.6041 2784.000       225.7537 2862.026       163.8486 236.8607 9.758128 240.9748 6.953755 -4.114059      11.98231 
1 1 1 -10 2  29 o 210.2438 5.148516 2171.451       105.9526 2135.285       128.3023 2249.000       187.8734 208.1978 6.303077 212.9542 9.033592 -4.756409      11.01520 
1 1 1 -10 2  30 o 21.32237 8.217875 14.78560       24.23799 23.25308       28.92353 -5.185000      44.41909 24.51803 9.080842 23.86352 10.33174 0.6545086      13.75524 
1 1 1 -10 2  31 o 55.53148 5.165806 152.9232       27.75711 153.9151       32.95202 150.5000       51.50394 55.56004 6.162698 54.14043 10.08992 1.419605       11.82308 
1 1 1 -10 2  32 o 133.1838 3.526965 870.9065       45.93846 899.0122       65.59193 843.8474       64.35920 135.1063 4.968311 130.8789 5.033209 4.227417       7.072291 
1 1 1 -10 2  33 o 78.47300 4.756961 304.0985       36.36734 244.8000       49.14125 375.9000       54.07431 69.91965 7.287086 86.98856 6.395421 -17.06891      9.695517 
1 1 1 -10 2  34 o 53.85920 6.234756 145.3454       32.26259 0.000000       0.000000 145.3454       32.26259 ?        ?        53.85920 6.234756 ?              ?        
1 1 1 -10 2  35 o 67.63831 4.628777 226.5141       30.46068 226.2000       58.21265 226.6325       35.74485 66.49239 9.189567 67.50545 5.456096 -1.013062      10.68724 
1 1 1 -10 2  36 o 81.77228 3.559794 329.4760       28.42467 372.2808       41.09582 290.2157       39.35760 86.68748 4.862722 76.41455 5.294687 10.27293       7.188865 
1 1 1 -10 2  37 o 77.75195 3.646268 298.2764       27.67290 289.8699       38.86956 306.9169       39.40674 76.31878 5.234922 78.56049 5.153051 -2.241707      7.345634 
1 1 1 -10 2  38 o 21.66709 8.062876 18.73221       22.85234 12.87036       28.71392 28.86000       37.74269 21.90304 8.788482 27.14478 10.30580 -5.241735      13.54426 
1 1 1 -10 2  39 o 20.90689 7.730148 17.84506       20.94326 23.42992       29.11126 11.85348       30.15267 24.17331 9.078986 22.03443 8.946946 2.138876       12.74660 
1 1 1 -10 2  40 o 58.71930 4.336203 171.7049       24.74696 169.4748       34.96029 173.9446       35.03481 57.79537 6.280696 58.58533 6.203630 -0.7899551     8.827920 
1 1 1 -10 2  41 o 15.33850 6.891704 -9.073115      21.58232 -39.07701      29.91990 23.47368       31.16200 14.98697 7.173780 24.49287 9.348733 -9.505899      11.78397 
1 1 1 -10 2  42 o 24.88164 8.083512 31.19537       22.53623 15.29329       31.28466 48.34818       32.49168 22.82010 9.167585 30.39639 9.690613 -7.576283      13.33989 
1 1 1 -10 2  43 o 47.18416 5.380289 112.9590       24.40545 112.5886       34.27380 113.3401       34.76037 46.22501 7.855779 46.34514 7.948571 -0.1201363     11.17556 
1 1 1 -10 2  44 o 76.56520 3.950113 291.7614       29.50370 296.3448       41.49124 287.0735       41.96180 76.54177 5.576234 75.25677 5.739724 1.284996       8.002426 
1 1 1 -10 2  45 o 72.30922 3.980577 260.9283       28.06514 278.8071       39.98612 243.5692       39.40057 74.09015 5.554118 69.07034 5.883760 5.019806       8.091159 
1 1 1 -10 2  46 o 24.18489 8.109953 29.90603       22.62483 40.42110       32.24439 19.70841       31.75394 27.89144 9.674563 23.35546 9.285065 4.535978       13.40931 
1 1 1 -10 2  47 o 57.17970 5.584603 168.1419       30.85853 163.6502       37.17208 178.1000       55.34816 55.67331 6.973823 55.69796 10.53801 -0.2464676E-01 12.63661 
1 1 1 -10 2  48 f 62.02244 4.574414 194.9264       27.57552 252.0229       40.49054 145.5372       37.65861 69.75216 5.988377 51.97349 7.629450 17.77867       9.698926 
1 1 1 -10 2  49 o 43.93947 6.661114 102.6788       27.75174 78.96000       46.41879 115.8726       34.62027 36.10876 11.59021 45.98054 7.981533 -9.871784      14.07259 
1 1 1 -10 2  50 o 52.91794 5.644472 145.4380       28.78616 173.3000       47.74667 129.5276       36.08094 55.46361 9.110932 48.65387 7.842844 6.809742       12.02162 
1 1 1 -10 2  51 o 70.82413 4.849191 256.4196       33.41400 213.6000       57.32776 278.4511       41.12122 60.65417 10.00452 73.16726 5.788872 -12.51308      11.55861 
1 1 1 -10 2  52 o 41.75308 7.397947 95.68515       29.12809 61.71000       52.84303 110.5138       34.91068 32.26075 12.20669 44.31808 8.354009 -12.05733      14.79164 
1 1 1 -10 2  53 o 16.41442 7.199972 -0.9324875     22.17911 -11.60964      30.88040 10.44371       31.87526 17.60670 8.042020 21.02114 8.918055 -3.414440      12.00857 
1 1 1 -10 2  54 o 41.14814 6.803122 92.46323       26.44421 78.35624       32.36401 120.8000       45.86912 36.36976 9.111166 44.00190 10.74448 -7.632137      14.08748 
1 1 1 -10 2  55 o 19.42494 8.197827 8.783025       26.70188 -25.96000      47.80115 24.54135       32.19286 20.31266 9.525928 23.48970 9.345563 -3.177042      13.34477 
1 1 1 -10 2  56 o 28.84402 7.932541 47.81984       23.09199 69.55939       33.01074 26.98777       32.31441 33.86663 9.548583 23.90724 9.409867 9.959389       13.40601 
1 1 1 -10 2  57 o 20.84102 7.994659 19.89307       22.86412 -0.3245956E-01 32.02621 40.60539       32.65239 19.29364 8.549220 26.74931 9.689923 -7.455667      12.92222 
1 1 1 -10 2  58 o 25.13576 8.908875 35.27237       27.43924 21.12891       32.56022 69.93000       50.96935 22.73223 9.272245 32.58249 12.05705 -9.850256      15.21009 
1 1 1 -10 2  59 o 15.50113 7.167539 -13.88847      25.59051 12.57382       30.86046 -72.14000      45.78701 20.87738 8.812072 16.48154 8.107032 4.395844       11.97400 
1 1 1 -10 2  60 o 36.77348 6.949310 75.66216       24.09761 103.3844       34.28676 48.60129       33.87531 41.78233 8.667949 28.23536 9.908122 13.54697       13.16451 
1 1 1 -10 2  61 o 18.41700 7.932841 6.280846       25.92338 -5.248000      44.49977 12.20317       31.89414 20.96925 9.606506 20.72600 8.860800 0.2432537      13.06900 
1 1 1 -10 3  1  o 209.7253 4.942775 2154.008       101.4677 2410.000       189.3429 2050.872       120.1818 221.5196 8.749551 204.5244 6.009778 16.99516       10.61471 
1 1 1 -10 3  2  o 338.6778 7.463133 5621.664       247.4082 5507.000       422.5199 5681.493       305.2035 334.4860 12.92950 340.2295 9.172924 -5.743500      15.85290 
1 1 1 -10 3  3  o 281.4719 6.314983 3881.399       173.9856 3692.000       291.4123 3986.308       216.8831 274.0298 10.88601 285.0697 7.779910 -11.03995      13.38030 
1 1 1 -10 3  4  o 567.4446 15.02789 15861.15       833.9598 0.000000       0.000000 15861.15       833.9598 ?        ?        567.4446 15.02789 ?              ?        
1 1 1 -10 3  5  o 470.7936 10.19039 10876.96       469.5994 11530.00       847.2148 10587.35       564.2010 483.0313 17.95016 464.0143 12.43334 19.01697       21.83566 
1 1 1 -10 3  6  o 600.0700 12.90718 17700.39       758.1227 18790.00       1370.126 17219.57       910.1478 615.0164 22.79923 591.0281 15.74652 23.98828       27.70844 
1 1 1 -10 3  7  o 211.2339 4.988961 2185.212       103.1526 2312.000       184.1842 2127.270       124.5115 216.9554 8.690710 208.2904 6.113704 8.665070       10.62572 
1 1 1 -10 3  8  o 263.1980 5.180983 3392.818       133.4753 3386.851       188.3943 3398.833       189.1331 262.7679 7.331856 263.2314 7.347652 -0.4635315     10.37999 
1 1 1 -10 3  9  o 374.5965 8.215143 6880.594       301.2209 7031.297       374.3940 6604.000       507.2108 378.3578 10.11836 366.0353 14.18345 12.32242       17.42273 
1 1 1 -10 3  10 o 239.1661 5.536206 2801.967       129.6039 2800.458       158.5864 2805.000       224.8931 238.9522 6.787175 238.8866 9.637635 0.6553650E-01  11.78769 
1 1 1 -10 3  11 o 244.2511 5.639866 2922.600       134.8378 2958.994       166.3978 2853.000       230.1111 245.6095 6.928357 240.8951 9.779285 4.714401       11.98485 
1 1 1 -10 3  12 o 570.2252 12.29024 15990.77       685.9821 16109.87       844.6417 15760.00       1175.758 571.4440 15.11381 562.9653 21.37567 8.478638       26.17913 
1 1 1 -10 3  13 o 96.51945 3.717597 456.8319       35.05666 443.0208       42.41649 486.6000       62.27240 94.99809 4.575012 99.43394 6.432674 -4.435860      7.893671 
1 1 1 -10 3  14 o 157.4328 3.653024 1213.639       56.29296 1192.245       78.48611 1236.304       80.78416 155.9149 5.149860 158.7692 5.205246 -2.854324      7.322270 
1 1 1 -10 3  15 o 254.3056 5.067461 3168.608       126.1399 3088.000       175.3232 3255.112       181.6211 250.8116 7.148728 257.5072 7.212714 -6.695618      10.15517 
1 1 1 -10 3  16 o 94.63132 3.241884 439.0080       29.98449 407.4653       41.32684 474.0695       43.57107 91.07928 4.651004 98.26689 4.542146 -7.187614      6.500994 
1 1 1 -10 3  17 o 42.02610 4.996288 87.77090       20.15106 72.46294       27.47829 105.5823       29.64014 37.73902 7.699689 45.89791 6.803185 -8.158886      10.27466 
1 1 1 -10 3  18 o 270.2606 5.335609 3580.769       141.1474 3528.221       197.6148 3635.496       201.6722 267.9393 7.542394 271.9792 7.582773 -4.039917      10.69515 
1 1 1 -10 3  19 o 246.2640 4.943667 2972.915       119.1671 2917.111       166.3487 3031.741       170.7947 243.6466 6.982341 248.3843 7.032042 -4.737717      9.909727 
1 1 1 -10 3  20 o 123.1859 3.320021 743.8113       39.99556 745.0193       56.37043 742.5868       56.75608 123.1928 4.683294 122.9880 4.723363 0.2047729      6.651572 
1 1 1 -10 3  21 o 113.7834 3.295022 634.7001       36.65945 616.5602       50.62352 654.7018       53.15788 112.0512 4.625562 115.4635 4.713361 -3.412292      6.603908 
1 1 1 -10 3  22 o 133.0632 4.921661 869.5181       63.99218 0.000000       0.000000 869.5181       63.99218 ?        ?        133.0632 4.921661 ?              ?        
1 1 1 -10 3  23 o 156.6251 3.647953 1202.092       55.92639 1231.998       79.82229 1173.256       78.38112 158.3802 5.155801 154.5507 5.188603 3.829514       7.314635 
1 1 1 -10 3  24 o 156.2458 3.636199 1196.378       55.61117 1217.066       78.95773 1176.013       78.33807 157.4047 5.131587 154.7189 5.180077 2.685806       7.291528 
1 1 1 -10 3  25 o 153.8209 3.626708 1159.614       54.60522 1151.278       76.81616 1168.129       77.63726 153.0745 5.134030 154.1899 5.151315 -1.115402      7.272848 
1 1 1 -10 3  26 o 245.0194 4.952145 2946.290       118.7682 2892.507       166.1206 3002.528       169.8693 242.3382 7.010550 246.9021 7.036018 -4.563965      9.932441 
1 1 1 -10 3  27 o 77.63534 3.596346 296.0700       27.25496 270.2662       38.11315 323.0755       38.99049 73.99993 5.296867 80.98027 4.942498 -6.980339      7.244659 
1 1 1 -10 3  28 o 161.5721 3.793046 1280.048       59.98748 1274.140       84.84944 1285.953       84.82079 160.9549 5.393271 161.7041 5.366325 -0.7491913     7.608207 
1 1 1 -10 3  29 o 184.7928 5.743875 1680.757       103.7692 1808.000       150.0105 1564.000       143.6968 191.1581 8.035118 177.7062 8.283903 13.45186       11.54063 
1 1 1 -10 3  30 o 153.3662 5.177924 1157.384       77.61908 1296.000       113.1069 1034.000       106.7119 161.9147 7.154352 144.5002 7.571049 17.41449       10.41660 
1 1 1 -10 3  31 o 52.84999 4.448682 138.1450       22.80004 153.3465       32.11014 122.6871       32.37980 55.47815 6.008894 49.39630 6.883626 6.081856       9.137347 
1 1 1 -10 3  32 o 96.94929 3.853654 462.1395       36.49702 506.8000       61.67162 438.0680       45.27674 101.1639 6.258721 94.24673 4.925068 6.917130       7.964163 
1 1 1 -10 3  33 o 93.51672 3.831064 430.2515       34.99406 429.4000       57.97124 430.7396       43.89329 92.99104 6.408094 93.42913 4.815903 -0.4380875     8.016021 
1 1 1 -10 3  34 o 168.4496 3.864195 1394.614       63.71405 1357.253       88.82859 1434.202       91.43864 165.7356 5.483135 170.3717 5.490266 -4.636093      7.759368 
1 1 1 -10 3  35 o 31.70309 8.029277 52.17056       24.93897 23.79000       48.90031 62.14709       28.99285 28.80882 11.49950 34.54142 8.606782 -5.732599      14.36368 
1 1 1 -10 3  36 o 79.56907 4.230042 312.9091       32.82705 310.8000       61.11374 313.7644       38.91818 78.30104 8.090165 79.51939 5.025747 -1.218353      9.524122 
1 1 1 -10 3  37 o 48.72935 4.853995 118.5810       22.84480 105.0873       32.37010 131.9706       32.24510 45.18356 7.587788 51.02400 6.611590 -5.840439      10.06418 
1 1 1 -10 3  38 o 100.3525 3.476488 496.5792       34.09719 498.0281       48.07677 495.1127       48.36594 100.1257 4.920576 99.81786 4.965821 0.3078079      6.990811 
1 1 1 -10 3  39 o 19.11714 7.793453 7.990969       22.98752 4.193629       28.66762 14.83000       38.47239 20.19107 8.506217 24.67037 10.07284 -4.479303      13.18400 
1 1 1 -10 3  40 o 85.83203 4.095545 365.3294       34.30935 375.8159       42.81007 346.5000       57.36523 86.76169 5.062941 82.47865 7.176996 4.283043       8.783089 
1 1 1 -10 3  41 o 22.30714 8.003925 22.23314       22.21444 42.40539       30.71445 0.1066545      32.16784 28.82881 9.441668 20.48876 8.831098 8.340046       12.92801 
1 1 1 -10 3  42 o 63.85781 4.285354 203.2923       26.63087 181.6282       36.72359 227.3209       38.67568 59.67249 6.386516 66.99052 5.960354 -7.318027      8.735754 
1 1 1 -10 3  43 o 97.77956 3.620076 473.8069       34.58770 473.1095       48.56573 474.5247       49.27066 97.10452 5.127745 97.21788 5.196571 -0.1133575     7.300556 
1 1 1 -10 3  44 o 88.36699 3.691712 387.6799       31.86152 377.6198       44.53071 398.2320       45.60652 86.57122 5.280200 88.91827 5.263529 -2.347046      7.455552 
1 1 1 -10 3  45 o 42.02173 5.944067 91.23837       23.76737 71.98705       33.48958 110.7741       33.73605 36.01947 9.400426 45.56981 7.846349 -9.550331      12.24472 
1 1 1 -10 3  46 o 29.49835 8.807920 47.68753       27.36790 69.38120       33.23402 1.981000       48.23980 35.14341 9.455315 24.23542 10.62485 10.90799       14.22288 
1 1 1 -10 3  47 o 76.01383 3.970013 289.6135       29.43628 290.3675       41.81571 288.8727       41.44514 75.17023 5.726219 74.99908 5.688030 0.1711502      8.071137 
1 1 1 -10 3  48 o 86.30583 4.252622 375.0043       35.81490 327.0000       60.48389 400.9244       44.44444 77.83906 8.054699 88.68130 5.142162 -10.84225      9.556150 
1 1 1 -10 3  49 o 49.86588 5.874221 129.6482       28.12265 88.34000       47.70568 151.6489       34.81534 37.96412 11.69091 53.44322 6.809825 -15.47910      13.52964 
1 1 1 -10 3  50 o 56.52753 4.581173 162.6458       25.13091 134.9100       34.37448 194.4921       36.83379 50.04663 7.226066 60.86822 6.271980 -10.82158      9.568373 
1 1 1 -10 3  51 o 49.16397 5.232234 125.0503       24.79277 122.6231       34.05146 127.7886       36.16881 47.33006 7.607847 48.10331 7.959757 -0.7732506     11.01077 
1 1 1 -10 3  52 o 46.29082 5.561210 112.0383       24.69428 98.86465       33.95091 126.8367       35.98365 41.68002 8.606982 47.79795 7.971718 -6.117939      11.73151 
1 1 1 -10 3  53 o 30.13939 8.850492 53.00502       27.82070 64.17000       51.84824 48.49066       32.96878 32.21769 12.11298 28.83105 9.789853 3.386641       15.57452 
1 1 1 -10 3  54 o 41.59382 6.913711 94.78072       27.16017 107.6075       34.38461 73.50000       44.28930 43.33060 8.410433 33.89710 11.34657 9.433502       14.12374 
1 1 1 -10 3  55 o 40.02571 7.159146 88.55186       27.01856 89.34917       34.51459 87.29000       43.42048 38.80706 9.222883 36.93522 11.10958 1.871841       14.43899 
1 1 1 -10 3  56 o 21.64518 8.003299 23.23763       22.44971 50.11109       32.36072 -1.694774      31.17012 29.00570 9.698765 18.86957 8.393606 10.13613       12.82648 
1 1 1 -10 3  57 o 17.95260 7.552860 7.248808       22.55276 10.88902       31.87664 3.600458       31.91224 20.89869 8.894127 19.78032 8.657494 1.118372       12.41200 
1 1 1 -10 3  58 o 37.44101 9.497003 85.35378       34.85220 108.9000       46.93073 56.40000       52.04143 40.69927 11.35315 30.33686 11.94123 10.36241       16.47686 
1 1 1 -10 3  59 o 17.51841 7.483305 5.062490       22.71463 24.66263       32.26303 -14.20181      31.98543 23.29069 9.325865 17.41300 8.037947 5.877691       12.31180 
1 1 1 -10 3  60 o 20.05994 8.212406 14.74674       25.65822 68.91000       44.97947 -11.38006      31.23957 32.13697 11.40471 17.43571 8.010354 14.70127       13.93676 
1 1 1 -10 3  61 o 26.84535 8.177891 42.85088       23.42353 80.45979       33.47404 6.766921       32.78836 35.83310 9.420887 20.06360 8.778651 15.76950       12.87703 
1 1 1 -10 4  1  o 217.4377 5.070817 2315.438       107.9243 2330.000       187.5139 2308.224       131.9748 217.7979 8.813971 216.9737 6.220515 0.8241577      10.78800 
1 1 1 -10 4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 4  3  o 416.5962 11.13933 8527.255       453.8275 7934.000       609.5743 9265.000       679.7656 401.0790 15.55661 433.3583 16.05303 -32.27936      22.35415 
1 1 1 -10 4  4  o 432.5045 9.397507 9176.133       397.8410 9796.000       721.1146 8904.905       477.0042 445.4925 16.56589 425.6735 11.45868 19.81906       20.14274 
1 1 1 -10 4  5  o 373.8959 8.189274 6854.057       299.7108 7379.000       546.2295 6627.943       358.4946 386.9618 14.44655 367.3849 9.978322 19.57690       17.55761 
1 1 1 -10 4  6  o 506.4600 9.467204 12583.77       469.3244 12764.41       670.4221 12410.18       657.2244 509.2827 13.46059 502.1774 13.38251 7.105286       18.98102 
1 1 1 -10 4  7  o 324.6678 6.231092 5164.348       198.0202 5337.425       286.2997 5005.615       274.1792 329.7647 8.877808 319.3527 8.779503 10.41205       12.48580 
1 1 1 -10 4  8  o 354.3337 6.753151 6152.526       234.2206 6279.890       335.9406 6032.053       326.7275 357.6220 9.605620 350.4979 9.532297 7.124176       13.53265 
1 1 1 -10 4  9  o 317.2552 6.109393 4931.288       189.7200 4891.651       266.7973 4971.833       269.8377 315.6906 8.642161 318.2663 8.669827 -2.575775      12.24144 
1 1 1 -10 4  10 o 262.8308 5.993357 3384.507       154.1887 3439.280       190.6699 3281.000       262.1076 264.7748 7.364129 258.2961 10.38825 6.478668       12.73366 
1 1 1 -10 4  11 o 256.8174 5.880440 3231.436       147.8225 3260.525       181.9744 3175.000       253.4664 257.7996 7.218544 254.0849 10.21224 3.714661       12.50589 
1 1 1 -10 4  12 o 236.6541 5.509550 2743.740       127.6252 2763.011       156.8610 2706.000       219.5144 237.3275 6.759326 234.5878 9.580013 2.739700       11.72455 
1 1 1 -10 4  13 o 350.3949 7.740027 6021.924       265.4645 5958.363       322.6928 6155.000       466.9209 348.2248 9.476050 353.2046 13.53053 -4.979767      16.51880 
1 1 1 -10 4  14 o 262.9428 6.012279 3388.700       154.7414 3308.469       186.4949 3566.000       277.2365 259.6149 7.346289 269.1228 10.54472 -9.507904      12.85142 
1 1 1 -10 4  15 o 369.3504 8.133049 6696.409       294.0344 6602.528       356.5424 6896.000       519.8670 366.3492 9.952043 373.4072 14.24954 -7.057983      17.38081 
1 1 1 -10 4  16 o 261.6820 5.190986 3355.876       132.9627 3348.296       187.6504 3363.520       188.4274 261.1082 7.349454 261.6999 7.363192 -0.5917053     10.40342 
1 1 1 -10 4  17 o 181.7845 3.947714 1618.691       70.24394 1561.482       97.09370 1681.518       101.7497 178.3810 5.567604 185.1120 5.622064 -6.731049      7.912384 
1 1 1 -10 4  18 o 282.0652 5.534213 3901.188       152.7959 3805.271       212.4594 4003.946       219.9049 278.2074 7.809639 285.3715 7.880141 -7.164154      11.09446 
1 1 1 -10 4  19 o 126.0486 3.321329 778.7221       40.94281 788.6083       57.75663 768.7358       58.04824 126.7582 4.662947 125.1421 4.747530 1.616051       6.654480 
1 1 1 -10 4  20 f 24.57942 7.938893 28.80048       21.75585 45.47122       26.02143 -9.917000      39.65585 30.01201 8.483181 21.94633 9.626944 8.065681       12.83131 
1 1 1 -10 4  21 o 205.7393 5.005255 2075.806       100.7975 1952.000       169.2232 2143.887       125.4878 198.9162 8.712409 208.8899 6.143982 -9.973694      10.66089 
1 1 1 -10 4  22 o 114.1754 3.276765 639.1262       36.58260 626.5524       50.71957 652.7606       52.81525 112.9487 4.597235 115.2825 4.690267 -2.333809      6.567585 
1 1 1 -10 4  23 o 126.4979 3.341070 784.5221       41.33280 801.6733       58.47247 767.3932       58.43436 127.7671 4.683406 124.9923 4.784997 2.774765       6.695557 
1 1 1 -10 4  24 o 139.6133 3.454056 955.1168       47.20222 892.0085       64.57772 1027.512       69.16629 134.7507 4.904226 144.6376 4.892519 -9.886932      6.927350 
1 1 1 -10 4  25 o 181.3909 3.978588 1613.052       70.63998 1585.172       98.88528 1642.106       100.9467 179.5754 5.632691 182.7726 5.649324 -3.197144      7.977598 
1 1 1 -10 4  26 o 361.3838 6.936875 6426.812       245.3798 6335.205       343.6167 6522.139       350.5253 357.6867 9.823734 362.9064 9.876943 -5.219696      13.93053 
1 1 1 -10 4  27 o 292.9224 5.760858 4216.405       165.1756 3986.234       224.9467 4485.713       243.3210 284.1425 8.096180 301.3803 8.255963 -17.23776      11.56326 
1 1 1 -10 4  28 o 146.3343 4.213809 1051.370       60.29409 1026.706       73.29375 1103.000       106.0455 144.4865 5.190865 149.4232 7.272338 -4.936707      8.934875 
1 1 1 -10 4  29 o 163.3102 3.828578 1308.053       61.20079 1261.509       85.64195 1356.626       87.48961 160.1091 5.472719 166.0556 5.389797 -5.946487      7.681182 
1 1 1 -10 4  30 o 123.1734 3.874318 745.0837       46.65284 788.6000       79.92671 722.5962       57.45617 126.3393 6.484891 121.1792 4.853801 5.160141       8.100198 
1 1 1 -10 4  31 o 129.2009 4.862875 821.6813       61.38877 881.7000       86.26430 760.1000       87.38013 133.5225 6.621054 123.8197 7.241295 9.702782       9.811968 
1 1 1 -10 4  32 o 117.5714 4.644555 680.6622       53.34537 670.2000       73.97086 692.0000       77.00401 116.3188 6.523007 118.1660 6.684815 -1.847206      9.340041 
1 1 1 -10 4  33 o 84.94508 3.438648 354.7672       28.53209 365.6048       40.21910 343.7868       40.48314 86.05172 4.793874 83.40688 4.981374 2.644844       6.913415 
1 1 1 -10 4  34 f 63.34132 3.913808 197.9832       24.14718 202.6140       34.20868 193.3845       34.09017 63.82380 5.530323 62.32019 5.649813 1.503609       7.906001 
1 1 1 -10 4  35 o 78.67791 3.582388 304.9327       27.51634 328.4887       39.51092 282.7484       38.34332 81.42679 4.981117 75.47564 5.222312 5.951149       7.216929 
1 1 1 -10 4  36 o 33.37697 6.678612 57.39204       21.05692 72.82224       30.32903 43.03257       29.25780 37.32425 8.493345 29.23334 9.180232 8.090908       12.50654 
1 1 1 -10 4  37 o 59.77156 5.053720 178.1345       29.29051 139.5000       54.86211 193.5375       34.64069 51.00625 11.28758 62.15430 5.759393 -11.14805      12.67202 
1 1 1 -10 4  38 o 38.88482 6.123348 77.20313       22.53645 85.14446       31.92727 69.31717       31.81574 40.26984 8.373179 36.16214 9.019171 4.107704       12.30673 
1 1 1 -10 4  39 o 73.24059 3.815666 265.5499       27.26015 280.3696       38.09518 249.9979       39.02497 74.89520 5.229342 70.56232 5.698635 4.332870       7.734368 
1 1 1 -10 4  40 o 94.40270 4.050653 441.7206       37.34256 444.9664       45.81922 435.3000       64.44324 94.44951 4.973649 92.48396 7.174847 1.965546       8.730155 
1 1 1 -10 4  41 o 21.14951 8.245424 15.35112       24.61385 15.98882       30.41117 14.14000       41.91013 22.77500 9.076019 25.17760 10.42083 -2.402605      13.81911 
1 1 1 -10 4  42 o 81.92487 3.788359 332.8698       30.29673 321.5109       41.99126 345.2032       43.75525 79.97134 5.395954 82.86608 5.424270 -2.894737      7.651080 
1 1 1 -10 4  43 o 35.20199 7.064413 65.27055       23.49457 68.68584       32.53500 61.54871       33.96371 35.51209 9.264240 33.63427 9.751424 1.877819       13.45052 
1 1 1 -10 4  44 o 48.08933 5.343928 117.5635       24.73021 112.6540       34.55681 122.7172       35.40625 46.06375 7.951531 48.20105 7.768433 -2.137299      11.11645 
1 1 1 -10 4  45 o 59.83615 5.195198 181.6233       30.12664 151.7530       36.12043 249.9000       54.60963 53.87524 7.015984 68.53037 8.310669 -14.65513      10.87618 
1 1 1 -10 4  46 o 124.7473 3.634402 774.7901       44.33093 780.4780       62.80875 769.1439       62.57870 124.1236 5.181022 123.2016 5.200940 0.9220047      7.341169 
1 1 1 -10 4  47 o 53.01462 5.573846 144.7739       28.49174 130.9000       47.14951 152.7541       35.75913 47.61051 10.40838 53.75241 6.959673 -6.141899      12.52084 
1 1 1 -10 4  48 o 38.16211 7.401871 79.08229       26.65114 62.48000       44.33618 88.47547       33.34882 32.88006 11.34742 39.67340 8.816438 -6.793339      14.36989 
1 1 1 -10 4  49 o 43.58307 5.684044 99.03392       23.67110 91.43062       33.37415 106.7307       33.57878 40.28141 8.717890 43.98265 8.097991 -3.701241      11.89870 
1 1 1 -10 4  50 o 62.59482 4.258594 198.2632       25.93683 222.9818       36.35828 172.6492       37.01086 65.55749 5.723303 56.99284 6.766308 8.564644       8.862230 
1 1 1 -10 4  51 o 35.99457 6.824469 70.29373       23.16464 56.50980       32.05082 85.36842       33.51789 31.14948 9.580829 38.47270 9.052576 -7.323223      13.18110 
1 1 1 -10 4  52 o 45.42058 5.556206 107.9528       24.18856 115.6886       34.02207 100.0457       34.39659 45.63364 7.902848 41.86355 8.679254 3.770092       11.73816 
1 1 1 -10 4  53 o 44.76939 6.457783 107.8679       27.48185 103.8488       34.72962 114.6000       44.94780 42.46303 8.649786 42.95620 10.72382 -0.4931641     13.77749 
1 1 1 -10 4  54 o 32.72534 8.534754 62.50667       27.61830 52.85000       49.95140 66.75854       33.14546 30.06794 11.73935 33.20839 9.634800 -3.140448      15.18689 
1 1 1 -10 4  55 o 35.35930 7.094774 69.37975       23.70079 70.04259       33.75116 68.73492       33.28956 33.98885 9.679603 33.70787 9.617640 0.2809830      13.64528 
1 1 1 -10 4  56 o 22.07636 8.319553 23.79641       24.49015 25.81475       31.35740 20.64000       39.21374 23.52365 9.266237 23.81669 9.985818 -0.2930470     13.62276 
1 1 1 -10 4  57 o 29.82468 8.838403 52.69809       27.63983 58.78894       32.87817 38.02000       51.03919 31.04879 9.728989 27.70817 11.48694 3.340622       15.05334 
1 1 1 -10 4  58 o 49.50555 5.330446 128.8882       25.42338 141.9278       36.00849 115.9271       35.89994 50.34035 7.539456 44.65422 8.524283 5.686123       11.38011 
1 1 1 -10 4  59 o 28.87834 8.755192 49.54357       26.89098 69.77000       46.03086 39.06419       33.13274 32.56571 11.53915 26.28191 9.721900 6.283794       15.08865 
1 1 1 -10 4  60 o 16.37428 7.201984 -0.1081322     22.32979 6.914409       31.78896 -6.948232      31.37332 20.01486 8.702357 17.99825 8.176203 2.016619       11.94074 
1 1 1 -10 4  61 o 26.27877 8.138936 40.97363       23.08207 58.29827       33.11960 24.61157       32.18636 30.21469 9.798193 22.86772 9.258897 7.346962       13.48079 
1 1 1 -10 5  1  o 523.6916 13.88440 13499.73       711.0915 12890.00       972.5875 14200.00       1042.298 510.2914 19.50764 535.5015 19.91970 -25.21017      27.88086 
1 1 1 -10 5  2  o 175.2966 5.289849 1506.393       90.66213 1418.000       123.6958 1609.000       133.2700 169.9285 7.454882 181.0257 7.537673 -11.09720      10.60150 
1 1 1 -10 5  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 5  4  o 322.7460 7.145716 5104.954       225.7422 5261.000       398.9160 5031.442       273.7991 326.9479 12.48808 320.1865 8.744394 6.761444       15.24522 
1 1 1 -10 5  5  o 406.4906 7.673538 8099.727       305.3180 8320.066       440.2110 7895.485       423.8247 411.5002 10.93881 400.8739 10.81108 10.62622       15.37976 
1 1 1 -10 5  6  o 479.3465 8.987871 11270.41       421.7088 11709.63       613.7755 10877.67       580.3959 487.8634 12.86424 470.2470 12.62074 17.61636       18.02143 
1 1 1 -10 5  7  o 290.2997 5.645916 4128.165       160.4306 4173.977       228.9023 4083.934       224.9165 291.6635 8.025548 288.5030 7.972257 3.160583       11.31222 
1 1 1 -10 5  8  o 36.37142 4.825271 65.92146       16.75521 60.93657       22.71388 71.87189       24.81636 34.64846 6.939466 37.69629 6.982722 -3.047829      9.844522 
1 1 1 -10 5  9  f 536.1772 10.01068 14111.98       525.3856 14434.31       755.1844 13809.64       731.4010 541.2515 14.26680 529.4370 14.12613 11.81445       20.07708 
1 1 1 -10 5  10 o 263.2252 5.198369 3393.869       133.9370 3468.537       191.9539 3323.025       186.9753 265.8898 7.382604 260.2515 7.347164 5.638336       10.41555 
1 1 1 -10 5  11 o 270.8391 6.153916 3594.482       163.1433 3642.330       201.3369 3503.000       278.3941 272.4460 7.557121 266.8274 10.68075 5.618652       13.08390 
1 1 1 -10 5  12 o 507.0161 10.97064 12634.39       544.4524 12539.75       663.2167 12830.00       953.4509 504.4049 13.44490 508.3746 19.19504 -3.969696      23.43533 
1 1 1 -10 5  13 o 164.5040 4.301282 1326.285       69.20030 1303.076       83.81037 1376.000       122.6645 163.0005 5.259829 167.3261 7.508558 -4.325638      9.167564 
1 1 1 -10 5  14 o 476.6712 10.34678 11171.60       482.7590 11008.39       585.0063 11520.00       854.7262 472.4709 12.66108 481.4185 18.17098 -8.947510      22.14695 
1 1 1 -10 5  15 o 287.3553 6.491235 4049.318       182.5798 4071.885       224.2995 4005.000       314.3242 287.9004 7.967050 284.9839 11.29046 2.916412       13.81840 
1 1 1 -10 5  16 o 250.8467 5.788259 3084.989       142.1224 3019.565       171.5787 3228.000       253.6755 247.9651 7.076377 255.9337 10.14627 -7.968521      12.37020 
1 1 1 -10 5  17 o 133.8548 3.384901 878.0336       44.31366 871.0924       62.28699 885.1476       63.05808 133.2374 4.783772 134.3079 4.804335 -1.070480      6.779831 
1 1 1 -10 5  18 o 258.7365 5.148467 3281.995       130.3893 3203.737       181.3090 3365.824       187.6510 255.3141 7.262393 261.6874 7.333144 -6.373230      10.32072 
1 1 1 -10 5  19 o 75.63419 3.833232 280.9831       28.28597 278.4074       33.80227 287.0000       51.66405 75.22469 4.612885 76.12488 7.012299 -0.9001923     8.393512 
1 1 1 -10 5  20 f 90.59570 3.885955 402.8954       34.37958 301.8000       57.95641 457.7833       42.70452 77.97633 7.693461 96.53223 4.532205 -18.55590      8.929178 
1 1 1 -10 5  21 o 96.57563 3.209003 457.3612       30.29287 488.1698       42.97317 426.9299       42.70922 99.69518 4.414640 93.19582 4.697009 6.499359       6.446002 
1 1 1 -10 5  22 o 102.5182 3.679120 515.6672       36.85922 444.5000       57.98414 563.9254       47.74792 94.92599 6.275690 107.1446 4.563242 -12.21861      7.759347 
1 1 1 -10 5  23 o 78.54626 3.353888 302.8243       25.72643 311.9690       35.93962 293.2144       36.84250 79.62265 4.631369 77.15761 4.903624 2.465042       6.745006 
1 1 1 -10 5  24 o 223.9599 4.600157 2460.208       100.8438 2462.668       142.5264 2457.741       142.7030 223.7313 6.515161 223.5045 6.529901 0.2267609      9.224257 
1 1 1 -10 5  25 o 131.3678 3.415691 846.2618       43.88389 874.2047       62.78868 819.5774       61.35843 133.3930 4.816768 129.1476 4.862480 4.245361       6.844338 
1 1 1 -10 5  26 o 237.5783 5.582633 2772.429       129.8231 2676.135       155.4952 2994.000       235.8705 233.1105 6.822075 245.7715 9.824531 -12.66104      11.96086 
1 1 1 -10 5  27 o 243.7258 5.715861 2919.135       136.3607 2823.399       163.4859 3138.000       247.1915 239.3553 6.985477 251.4296 10.06444 -12.07431      12.25111 
1 1 1 -10 5  28 o 116.8271 3.426132 669.6385       39.13674 640.1385       54.61700 700.7719       56.10855 114.0725 4.902932 119.3731 4.811799 -5.300575      6.869654 
1 1 1 -10 5  29 o 163.4290 4.323360 1311.723       69.09955 1416.000       121.5029 1261.875       84.00751 169.2605 7.351256 160.1403 5.366921 9.120209       9.101912 
1 1 1 -10 5  30 o 249.2141 5.804659 3056.971       141.5975 3013.000       241.1364 3080.113       174.9337 245.8359 10.04214 249.6853 7.165123 -3.849365      12.33627 
1 1 1 -10 5  31 o 65.95104 4.299500 214.5208       27.60398 246.3000       44.25139 194.2775       35.31797 70.36532 6.498207 62.53519 5.837293 7.830132       8.735026 
1 1 1 -10 5  32 o 46.57687 5.706976 108.5001       25.47551 113.3047       30.18697 96.61000       47.48796 47.42972 6.687639 43.04414 11.17426 4.385578       13.02262 
1 1 1 -10 5  33 o 102.8186 4.016041 520.3459       40.34039 442.3000       69.57573 559.8699       49.51230 94.06212 7.622025 106.5379 4.759933 -12.47576      8.986224 
1 1 1 -10 5  34 o 63.68683 3.899480 200.1672       24.19221 188.5638       33.71441 212.4831       34.73429 61.51775 5.662467 65.36803 5.478951 -3.850273      7.879241 
1 1 1 -10 5  35 o 86.65865 3.458143 369.7065       29.27441 354.9655       40.77322 385.3905       42.05715 84.64996 4.942371 88.22574 4.889225 -3.575783      6.952090 
1 1 1 -10 5  36 o 101.2170 3.432048 504.4489       33.95350 493.9469       47.96670 514.9955       48.06846 99.83743 4.923592 101.9710 4.829625 -2.133537      6.896886 
1 1 1 -10 5  37 o 14.45580 6.542133 -10.51951      19.85688 2.898161       27.50040 -25.13522      28.70187 19.67525 8.312301 16.07293 7.486183 3.602312       11.18648 
1 1 1 -10 5  38 o 100.5443 4.114439 500.2396       40.40695 501.1000       72.73206 499.8555       48.59658 99.36742 7.533975 100.2552 4.967607 -0.8878098     9.024295 
1 1 1 -10 5  39 o 70.77712 4.660697 249.4918       32.10897 275.7000       60.21376 239.0782       37.95575 72.97303 8.594636 68.99065 5.670588 3.982376       10.29676 
1 1 1 -10 5  40 o 19.25686 7.587323 11.53746       21.02823 8.187617       28.92480 15.29263       30.62480 20.92337 8.658357 22.73584 9.091990 -1.812466      12.55513 
1 1 1 -10 5  41 o 113.5608 4.056108 639.7133       45.01385 617.4894       54.68806 686.4000       79.26461 111.1647 5.039068 116.1224 7.006195 -4.957687      8.630120 
1 1 1 -10 5  42 o 84.05695 4.249375 351.6426       34.84928 393.9372       43.69370 277.7000       57.77290 88.68087 5.054578 72.99243 8.229394 15.68844       9.657726 
1 1 1 -10 5  43 o 90.02009 3.701841 402.0383       32.54886 381.1249       45.17336 424.6190       46.93952 87.01390 5.329369 91.90273 5.239710 -4.888832      7.473736 
1 1 1 -10 5  44 o 79.75039 4.528227 318.5050       35.20295 312.7646       42.26913 331.5000       63.59708 78.59097 5.530008 79.30263 8.316581 -0.7116623     9.987317 
1 1 1 -10 5  45 o 43.56594 5.807886 97.87784       24.15047 113.4202       33.57587 81.21711       34.76289 46.12823 7.708035 38.20480 9.368745 7.923439       12.13207 
1 1 1 -10 5  46 o 14.80258 6.891016 -18.92737      24.27109 9.822000       38.70456 -37.55955      31.15873 23.12478 9.819457 15.31226 7.327144 7.812515       12.25189 
1 1 1 -10 5  47 o 20.15650 8.171616 12.27912       25.10759 -24.54000      40.23563 35.75926       32.13101 19.23073 8.925152 26.58533 9.614774 -7.354599      13.11877 
1 1 1 -10 5  48 o 76.38037 3.919880 292.8340       29.20827 284.9963       40.94154 300.9577       41.68186 74.34874 5.668533 76.45214 5.608989 -2.103401      7.974524 
1 1 1 -10 5  49 o 35.97260 6.786304 69.67490       23.01930 78.33241       32.10363 60.51369       33.02431 37.09553 8.946060 32.36818 9.677927 4.727345       13.17931 
1 1 1 -10 5  50 o 76.36887 3.846150 293.1184       28.65818 297.4962       40.33403 288.6549       40.72638 75.94183 5.462554 74.69509 5.611307 1.246735       7.831109 
1 1 1 -10 5  51 o 41.64579 5.998559 91.72691       23.74826 118.9993       33.52560 64.26003       33.64495 46.55432 7.620584 32.99888 9.744292 13.55544       12.37031 
1 1 1 -10 5  52 o 37.50931 7.416280 77.87576       26.26371 83.25314       32.86945 68.38000       43.67897 37.84512 9.004413 33.29189 11.26870 4.553230       14.42439 
1 1 1 -10 5  53 o 45.90688 5.479163 110.6448       24.13509 104.7681       34.09929 116.5442       34.16515 42.78038 8.443089 45.53598 7.954521 -2.755592      11.60001 
1 1 1 -10 5  54 o 36.44828 6.661079 72.69499       22.88902 42.13276       31.73948 105.8123       33.03959 27.15843 9.585660 43.13930 8.122423 -15.98087      12.56418 
1 1 1 -10 5  55 o 29.21909 8.781703 50.09274       27.13834 -1.493000      49.02348 72.88615       32.58698 22.79331 10.30083 34.82302 9.360068 -12.02970      13.91826 
1 1 1 -10 5  56 o 22.51410 8.751726 23.67251       27.66530 35.81799       32.98618 -5.132000      50.79897 25.73829 9.664863 22.67014 10.33939 3.068151       14.15318 
1 1 1 -10 5  57 o 30.90119 8.433188 55.99642       26.21426 54.54733       32.81998 58.55000       43.56765 29.98977 9.755907 30.66953 11.18080 -0.6797543     14.83873 
1 1 1 -10 5  58 o 74.01749 5.565507 288.4708       40.02697 306.7000       57.64658 271.5000       55.62111 73.50146 8.149334 68.80131 8.435467 4.700157       11.72897 
1 1 1 -10 5  59 o 21.37074 8.029841 22.50127       22.77719 16.70296       32.84150 27.87525       31.61701 21.91828 9.160598 23.78506 9.323999 -1.866783      13.07109 
1 1 1 -10 5  60 o 16.74079 7.598203 -7.097697      27.02037 -4.257864      32.61673 -13.31000      48.24146 18.63850 8.414632 21.04236 9.768312 -2.403856      12.89286 
1 1 1 -10 5  61 o 28.99067 7.997808 50.03177       23.43227 56.13218       33.89735 44.44879       32.42793 29.60773 9.926763 26.94948 9.670317 2.658243       13.85841 
1 1 1 -10 6  1  o 641.3934 16.99107 20305.24       1065.783 22990.00       1646.728 18370.00       1398.097 679.3051 24.80737 607.6678 23.54983 71.63727       34.20527 
1 1 1 -10 6  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 6  5  o 297.6214 6.671573 4340.543       194.3563 4078.782       228.1982 5032.000       370.8875 288.3103 8.094235 319.8046 11.86876 -31.49432      14.36608 
1 1 1 -10 6  6  o 216.8154 4.433244 2301.967       94.08447 2178.995       128.9853 2441.786       137.5371 210.7937 6.258316 223.1505 6.303056 -12.35680      8.882288 
1 1 1 -10 6  7  o 542.2417 10.12392 14433.04       537.3381 15109.43       785.3481 13837.70       736.7953 553.7490 14.50163 529.9870 14.21568 23.76196       20.30722 
1 1 1 -10 6  8  o 193.5750 4.085530 1834.816       77.41122 1837.408       109.8382 1832.258       109.1174 193.5757 5.803463 193.3058 5.773374 0.2698517      8.186088 
1 1 1 -10 6  9  o 261.8137 5.172543 3357.552       132.5570 3399.123       189.0910 3317.381       185.8781 263.2161 7.346443 260.0326 7.310134 3.183472       10.36380 
1 1 1 -10 6  10 o 328.7787 6.316321 5297.231       203.2704 5380.765       290.6711 5217.281       284.3681 331.0204 8.979292 325.9564 8.921209 5.064087       12.65763 
1 1 1 -10 6  11 o 409.7504 7.743901 8234.185       310.5885 8409.032       445.6961 8069.116       433.0537 413.4916 11.02182 405.0583 10.93239 8.433289       15.52411 
1 1 1 -10 6  12 f 454.9010 9.885573 10165.26       440.1746 10039.98       534.2730 10430.00       776.6365 451.5143 12.09977 458.7171 17.32799 -7.202789      21.13442 
1 1 1 -10 6  13 o 227.1563 5.343003 2528.399       118.8000 2506.110       144.4435 2575.000       208.8561 225.9918 6.536655 228.7699 9.346683 -2.778076      11.40563 
1 1 1 -10 6  14 o 138.4398 3.939588 939.4188       53.33056 931.7510       64.61766 955.8000       94.44751 137.8224 4.797201 139.4216 6.942606 -1.599228      8.438775 
1 1 1 -10 6  15 o 112.5246 3.690748 620.7783       40.59573 611.1893       48.80867 642.3000       73.12207 111.6045 4.477044 114.2476 6.566420 -2.643051      7.947440 
1 1 1 -10 6  16 o 86.23847 3.700640 364.9282       31.16537 337.4018       36.92511 433.1000       58.10981 82.85623 4.570632 93.75013 6.370282 -10.89390      7.840355 
1 1 1 -10 6  17 o 284.9659 6.451875 3984.582       179.9637 3896.414       216.9659 4179.000       322.1855 281.5080 7.881742 290.8379 11.33918 -9.329895      13.80938 
1 1 1 -10 6  18 o 204.3992 4.966677 2048.189       99.36907 1928.907       117.2649 2352.000       187.1460 198.1851 6.052013 218.4705 8.769296 -20.28543      10.65492 
1 1 1 -10 6  19 o 136.4384 4.010967 912.9488       53.50819 783.7000       88.74366 986.7781       67.07159 126.0925 7.220403 141.7880 4.839828 -15.69555      8.692420 
1 1 1 -10 6  20 o 147.3446 3.504935 1063.583       50.54990 1008.106       69.28785 1126.714       73.91277 143.2956 4.947320 151.4963 4.991194 -8.200745      7.027658 
1 1 1 -10 6  21 o 123.8214 3.295154 751.5916       39.90170 719.3378       54.84744 787.8552       58.15690 121.0341 4.638174 126.6700 4.698666 -5.635933      6.602281 
1 1 1 -10 6  22 o 228.7520 4.666733 2566.229       104.4923 2471.101       144.0376 2671.912       151.8179 224.1517 6.571987 233.0736 6.661462 -8.921844      9.357676 
1 1 1 -10 6  23 o 154.0504 4.215797 1164.401       63.50972 1347.000       119.7402 1092.925       74.91563 165.2776 7.420422 149.1503 5.139151 16.12733       9.026270 
1 1 1 -10 6  24 o 84.44788 3.288263 349.9528       27.12881 340.2442       37.83856 360.2221       38.91598 83.15259 4.667663 85.56676 4.664035 -2.414169      6.598507 
1 1 1 -10 6  25 o 107.2184 3.771045 564.2151       39.51488 543.3785       47.60123 610.4000       70.86853 105.1403 4.636734 111.2215 6.538504 -6.081230      8.015694 
1 1 1 -10 6  26 o 151.6745 4.184354 1129.112       62.06292 1092.305       74.72056 1211.000       111.4497 149.0728 5.128409 156.6393 7.288946 -7.566452      8.912313 
1 1 1 -10 6  27 o 168.9730 3.855843 1400.068       63.77386 1249.067       85.15622 1592.921       96.23657 159.3531 5.467557 179.9777 5.469144 -20.62460      7.733416 
1 1 1 -10 6  28 o 129.0834 3.908258 818.0035       49.32410 855.7000       82.50194 797.0349       61.53167 131.6883 6.419797 127.2979 4.947650 4.390404       8.105124 
1 1 1 -10 6  29 o 169.8442 4.400818 1417.011       73.10116 1360.000       121.3306 1449.500       91.59145 165.8101 7.495098 171.6128 5.459487 -5.802704      9.272675 
1 1 1 -10 6  30 o 228.4090 5.406114 2566.406       120.8661 2485.000       203.2173 2610.965       150.3495 223.4537 9.311497 229.9780 6.686068 -6.524292      11.46331 
1 1 1 -10 6  31 o 159.9969 3.737399 1256.348       58.53116 1254.776       82.62654 1257.932       82.92540 159.5865 5.296869 159.7848 5.309449 -0.1982574     7.499804 
1 1 1 -10 6  32 o 49.56636 4.475099 121.7709       21.47819 130.2751       30.01585 112.8474       30.74684 51.01266 6.134208 47.28913 6.841055 3.723526       9.188500 
1 1 1 -10 6  33 o 188.5799 5.798902 1757.967       106.9131 1711.000       146.8109 1811.000       156.0035 185.1583 8.120189 190.3773 8.392312 -5.218964      11.67769 
1 1 1 -10 6  34 f 78.30592 4.643836 303.2225       35.43423 297.3000       47.72191 310.5000       52.90037 77.18400 6.373366 78.75341 6.933223 -1.569412      9.417503 
1 1 1 -10 6  35 o 85.79894 3.437310 362.4609       28.80891 368.9447       40.96943 356.1191       40.51823 86.30505 4.869481 84.77983 4.903530 1.525223       6.910604 
1 1 1 -10 6  36 o 55.19075 4.349355 151.2187       23.30643 136.5024       32.81533 166.1980       33.10714 51.92544 6.605723 57.53363 5.965332 -5.608185      8.900604 
1 1 1 -10 6  37 o 11.72750 5.650424 -29.02152      19.26533 -21.00180      27.01702 -37.31813      27.47945 15.91796 7.361799 14.33027 6.863601 1.587691       10.06504 
1 1 1 -10 6  38 o 124.8664 3.496442 769.0764       42.69239 758.1099       59.78334 780.4890       60.98698 123.4874 4.956035 125.2890 4.982933 -1.801590      7.027937 
1 1 1 -10 6  39 o 122.8816 4.143255 747.9106       49.76377 751.7000       89.50265 746.2150       59.87123 121.5287 7.561492 122.4077 5.007502 -0.8789291     9.069246 
1 1 1 -10 6  40 o 67.89803 4.830694 230.4215       31.89533 147.9000       58.65960 265.0596       38.00428 51.59735 11.86290 72.67009 5.380998 -21.07274      13.02627 
1 1 1 -10 6  41 o 80.98238 3.750948 325.0909       29.65217 305.5254       41.14056 346.2432       42.77627 77.96178 5.425004 83.06931 5.288311 -5.107521      7.576074 
1 1 1 -10 6  42 o 92.84633 4.159898 428.7158       37.70938 415.9457       46.20126 454.2000       65.26684 91.04155 5.206219 94.14886 7.135378 -3.107307      8.832799 
1 1 1 -10 6  43 o 23.02460 9.244627 16.35531       31.79409 16.35531       31.79409 0.000000       0.000000 23.02460 9.244627 ?        ?        ?              ?        
1 1 1 -10 6  44 o 54.35518 4.920589 149.2708       25.89638 158.6714       36.26644 139.4912       36.99031 55.27547 6.849391 51.45776 7.569997 3.817711       10.20877 
1 1 1 -10 6  45 o 19.54681 8.034307 9.174223       24.68241 0.6847000      39.24409 14.73027       31.74794 22.09457 9.636929 22.45908 9.157731 -0.3645096     13.29415 
1 1 1 -10 6  46 o 16.30473 7.320264 -7.955622      24.29853 -20.34000      38.61909 0.1596271      31.26194 19.26824 8.871962 19.76273 8.610827 -0.4944897     12.36358 
1 1 1 -10 6  47 o 21.24647 8.001433 19.64832       22.64462 28.43916       31.88006 10.69655       32.17056 24.92261 9.469409 21.61195 9.051930 3.310652       13.09989 
1 1 1 -10 6  48 o 37.97838 6.676496 77.09192       23.91388 88.93935       33.90631 65.36529       33.73301 39.66204 8.947361 33.65366 9.706636 6.008381       13.20129 
1 1 1 -10 6  49 o 32.84560 7.330303 59.17408       22.96882 71.52135       32.33471 46.59796       32.63299 35.25621 9.254354 28.89510 9.740246 6.361109       13.43561 
1 1 1 -10 6  50 o 25.31393 8.067019 35.04340       22.51806 31.50643       31.61140 38.68705       32.08458 25.23253 9.464178 26.87499 9.621906 -1.642456      13.49636 
1 1 1 -10 6  51 o 60.99058 5.076398 191.6004       30.03121 188.3681       36.94080 197.9000       51.57109 59.59293 6.434859 58.82257 9.262867 0.7703629      11.27866 
1 1 1 -10 6  52 o 46.85372 6.514491 117.7207       29.06957 83.38000       52.79387 132.6626       34.82414 35.79557 12.38120 49.13852 7.475572 -13.34294      14.46300 
1 1 1 -10 6  53 o 24.45124 8.085153 33.01108       22.50258 3.272868       32.36201 60.84890       31.31091 19.96824 8.729514 31.93375 9.392449 -11.96550      12.82273 
1 1 1 -10 6  54 o 38.66895 6.434128 81.08309       23.49793 70.44518       33.32545 91.60137       33.13752 34.12138 9.584712 39.60461 8.778759 -5.483227      12.99744 
1 1 1 -10 6  55 o 36.37344 8.168734 76.19749       28.37028 81.88498       33.44994 61.62000       53.55208 36.98017 9.262013 31.44212 12.18901 5.538044       15.30871 
1 1 1 -10 6  56 o 22.60349 8.610569 24.96968       26.40205 44.48000       48.63234 16.81636       31.43837 28.46802 11.43236 21.81147 9.026378 6.656549       14.56621 
1 1 1 -10 6  57 o 28.02676 9.795727 46.35378       33.09024 0.000000       0.000000 46.35378       33.09024 ?        ?        28.02676 9.795727 ?              ?        
1 1 1 -10 6  58 o 55.86979 5.696810 165.5029       30.71865 122.3538       37.61535 251.9000       53.22654 45.69756 8.727594 66.27825 8.392335 -20.58069      12.10794 
1 1 1 -10 6  59 o 53.05994 5.823600 150.2774       29.74929 130.1238       37.49940 184.5000       48.86582 47.32700 8.402628 55.57514 9.312061 -8.248138      12.54267 
1 1 1 -10 6  60 o 25.46610 8.776795 37.84224       26.52054 26.10000       47.76081 43.07676       31.88851 25.19382 10.80849 26.83583 9.594240 -1.642012      14.45244 
1 1 1 -10 6  61 o 30.13240 8.044968 54.11592       24.17311 32.04018       34.18815 76.18595       34.18373 24.46389 9.663411 34.53034 9.710105 -10.06645      13.69918 
1 1 1 -10 7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 7  3  o 214.4590 5.084639 2252.598       106.7359 2254.409       130.8698 2249.000       184.4625 214.4148 6.242247 213.9489 8.827254 0.4659424      10.81139 
1 1 1 -10 7  4  o 274.6031 6.226593 3694.631       167.3640 3812.722       209.2607 3485.000       278.8085 278.7714 7.676207 266.1942 10.72237 12.57721       13.18686 
1 1 1 -10 7  5  o 464.8528 8.723305 10599.17       396.9197 10529.14       558.7603 10670.51       563.9340 462.6367 12.35002 465.7281 12.38155 -3.091461      17.48788 
1 1 1 -10 7  6  o 338.2181 6.480989 5605.500       214.5579 5783.622       310.6109 5442.947       296.7263 343.2028 9.254571 332.9506 9.113363 10.25214       12.98847 
1 1 1 -10 7  7  o 293.2799 5.703950 4213.802       163.7436 4340.304       236.4764 4097.282       226.9538 297.3863 8.131455 288.9442 8.032280 8.442078       11.42970 
1 1 1 -10 7  8  o 60.84983 3.429245 181.8579       20.34244 136.5445       27.38229 237.6696       30.38921 52.51936 5.403541 69.51975 4.489870 -17.00039      7.025466 
1 1 1 -10 7  9  o 112.9741 3.154042 625.3388       34.84396 635.1039       49.31596 615.6046       49.23773 113.7925 4.436089 112.0258 4.499437 1.766739       6.318530 
1 1 1 -10 7  10 o 198.7479 4.169209 1934.403       81.10778 1978.884       116.2704 1892.241       113.1987 200.8708 5.919982 196.4221 5.894357 4.448730       8.354018 
1 1 1 -10 7  11 o 387.1935 7.344433 7352.305       278.3508 7405.377       395.7509 7300.347       391.5773 388.0461 10.42860 385.2890 10.39254 2.757172       14.72279 
1 1 1 -10 7  12 o 275.3774 5.409950 3715.890       145.8236 3712.868       206.1650 3718.915       206.2865 274.9904 7.666818 275.2146 7.665074 -0.2242126     10.84128 
1 1 1 -10 7  13 o 144.1679 4.001138 1018.740       56.40767 1018.142       68.50600 1020.000       99.40285 144.0740 4.864746 144.0287 7.072513 0.4530334E-01  8.584066 
1 1 1 -10 7  14 o 16.53527 6.893354 2.531678       18.52741 -16.22894      20.88046 71.98000       40.17423 14.18249 6.527848 37.70565 10.49902 -23.52316      12.36293 
1 1 1 -10 7  15 o 147.5882 4.055264 1067.813       58.52820 1003.611       69.20966 1229.000       109.6622 143.0197 4.951312 158.0910 7.104843 -15.07137      8.659925 
1 1 1 -10 7  16 o 63.66632 4.078762 199.3903       25.28448 191.3524       29.67236 220.7000       48.31341 62.29135 4.906091 66.61761 7.541714 -4.326267      8.997066 
1 1 1 -10 7  17 o 298.6263 8.307337 4387.861       242.5906 3928.000       318.5274 5023.000       374.3411 281.8167 11.57174 318.6143 12.02475 -36.79758      16.68831 
1 1 1 -10 7  18 o 54.67959 4.439888 147.4991       23.55883 146.7246       27.74597 149.5000       44.59807 54.44553 5.272227 54.46127 8.655366 -0.1573181E-01 10.13468 
1 1 1 -10 7  19 o 202.2614 4.253088 2004.999       84.20221 1890.644       114.7886 2138.211       123.8916 196.1829 5.984660 208.6323 6.073184 -12.44939      8.526413 
1 1 1 -10 7  20 o 206.5650 4.317811 2091.531       87.30250 2029.753       120.9399 2158.750       126.1539 203.2458 6.085989 209.6009 6.155624 -6.355087      8.656268 
1 1 1 -10 7  21 o 113.8441 3.211909 635.4049       35.75572 676.6428       50.81107 594.9525       50.32489 117.3940 4.429821 110.0471 4.682652 7.346870       6.445972 
1 1 1 -10 7  22 o 192.9608 4.114647 1825.278       77.71553 1708.457       105.5189 1963.772       114.8910 186.4448 5.788955 199.8910 5.878392 -13.44617      8.250302 
1 1 1 -10 7  23 o 154.6469 3.607009 1172.046       54.60024 1143.641       75.99007 1202.361       78.50409 152.5748 5.095392 156.4425 5.133574 -3.867737      7.233022 
1 1 1 -10 7  24 o 214.8941 5.143075 2266.652       108.1816 2235.125       131.3943 2333.000       190.6102 213.1474 6.304749 217.1915 8.985374 -4.044052      10.97665 
1 1 1 -10 7  25 o 175.0994 4.490015 1505.018       76.89185 1440.761       91.99112 1654.000       140.0732 171.1900 5.496987 183.0218 7.837052 -11.83180      9.572682 
1 1 1 -10 7  26 o 124.7557 3.400416 763.3793       41.48523 764.6844       58.55878 762.0642       58.77978 124.7278 4.805470 124.5106 4.832153 0.2171783      6.814855 
1 1 1 -10 7  27 o 196.9599 4.221574 1903.173       81.38765 1937.927       116.3633 1869.889       113.8761 198.4179 5.998296 194.9046 5.976095 3.513229       8.467187 
1 1 1 -10 7  28 o 124.0366 3.835140 755.3014       46.50667 806.7000       78.13631 727.1033       57.87448 127.8698 6.261835 121.5804 4.873019 6.289352       7.934537 
1 1 1 -10 7  29 o 153.8515 4.158411 1162.595       62.56579 1167.000       105.1600 1160.181       77.84169 153.6413 7.011039 153.5399 5.186911 0.1014557      8.721164 
1 1 1 -10 7  30 o 193.6156 4.784200 1842.406       90.66840 1819.000       152.9472 1855.089       112.5835 191.4417 8.180901 193.9722 5.936640 -2.530457      10.10796 
1 1 1 -10 7  31 o 144.8741 3.553348 1029.944       50.38889 1067.776       72.28043 994.1747       70.28287 147.2316 5.022846 142.0533 5.062755 5.178284       7.131653 
1 1 1 -10 7  32 o 91.12937 3.342029 408.1048       29.76038 440.4405       42.51120 377.0267       41.67629 94.50579 4.609467 87.37715 4.892410 7.128639       6.721819 
1 1 1 -10 7  33 o 16.64979 6.854245 4.355375       18.00091 -1.953917      24.72803 11.46781       26.25477 17.96432 7.742908 21.08570 8.422965 -3.121376      11.44111 
1 1 1 -10 7  34 f 125.4193 3.856140 774.4528       47.28324 725.4000       76.85020 804.3328       59.97972 120.7060 6.528739 127.6088 4.810562 -6.902824      8.109620 
1 1 1 -10 7  35 o 79.66605 3.496041 312.7119       27.19551 299.1823       37.92781 327.0288       39.01578 77.64242 5.017462 81.20782 4.931605 -3.565407      7.035315 
1 1 1 -10 7  36 o 108.5148 3.355576 579.8152       35.59919 615.6902       51.48451 546.9499       49.27767 111.4964 4.728210 105.0560 4.804790 6.440353       6.741066 
1 1 1 -10 7  37 f 114.5398 3.417344 646.5685       38.27061 666.8546       54.41040 626.7056       53.83974 115.9341 4.805150 112.3510 4.907595 3.583107       6.868330 
1 1 1 -10 7  38 o 49.46555 4.699136 122.3796       22.47946 111.6081       30.99820 134.3278       32.64740 46.60145 7.012795 51.32032 6.655713 -4.718868      9.668392 
1 1 1 -10 7  39 o 12.26734 5.867179 -26.54633      19.92502 -39.71537      27.35836 -11.67127      29.07653 14.00535 6.744257 17.80579 7.999845 -3.800436      10.46339 
1 1 1 -10 7  40 o 53.23047 5.691544 143.4054       29.19522 101.4000       55.40892 159.5493       34.35038 42.56211 12.48810 55.94868 6.386688 -13.38658      14.02649 
1 1 1 -10 7  41 o 59.20119 5.468973 176.8890       31.33340 128.6000       57.82924 196.9569       37.27990 47.65446 12.31085 62.23486 6.202254 -14.58040      13.78496 
1 1 1 -10 7  42 o 77.65144 4.441442 300.9690       33.61742 290.2802       40.01786 326.6000       61.96842 75.89412 5.422637 79.16650 8.111493 -3.272377      9.757116 
1 1 1 -10 7  43 o 55.87104 4.772814 157.0248       25.85190 147.6051       35.61493 167.5153       37.58475 53.34432 6.988755 56.92069 6.885618 -3.576366      9.810934 
1 1 1 -10 7  44 o 27.00970 9.372546 36.80634       30.26405 10.44000       39.68782 73.44000       46.78131 23.70604 9.998938 36.07348 11.64063 -12.36744      15.34545 
1 1 1 -10 7  45 o 59.68645 6.060518 183.5977       34.91682 184.4000       46.90091 182.6000       52.29855 58.50285 8.433520 57.44036 9.643174 1.062492       12.81074 
1 1 1 -10 7  46 o 59.00819 4.491754 175.9889       25.74892 148.8611       36.08598 204.1274       36.75210 52.97759 7.140537 62.79465 6.054311 -9.817062      9.361729 
1 1 1 -10 7  47 o 58.89183 4.623395 175.9329       26.43800 234.7998       38.66275 124.2314       36.23335 67.36186 5.923990 47.73072 8.040889 19.63114       9.987470 
1 1 1 -10 7  48 o 50.90261 5.165668 133.1650       25.38185 121.1059       36.68892 144.2344       35.15116 46.83122 8.307964 51.95250 7.097771 -5.121281      10.92706 
1 1 1 -10 7  49 o 72.77220 4.007592 266.5984       28.43644 244.5935       40.06939 288.9265       40.36261 68.50032 6.037780 74.83205 5.549935 -6.331726      8.201011 
1 1 1 -10 7  50 o 44.61838 5.722101 104.2815       24.41600 80.24855       33.82149 130.4377       35.28379 37.14416 9.319088 48.82491 7.632644 -11.68074      12.04586 
1 1 1 -10 7  51 o 66.62567 4.959773 228.0193       32.11315 272.6000       58.48193 208.7743       38.42441 69.60429 8.778666 62.81591 6.335786 6.788376       10.82623 
1 1 1 -10 7  52 o 47.12998 5.497652 116.3227       24.88610 160.2061       35.89771 75.71823       34.53061 54.45418 6.888771 35.56424 9.667783 18.88993       11.87102 
1 1 1 -10 7  53 o 41.00176 6.134287 90.05816       23.86373 84.83623       33.90145 95.18686       33.59743 37.82008 9.238338 40.49722 8.732854 -2.677143      12.71258 
1 1 1 -10 7  54 o 42.59983 7.248549 100.4233       29.14341 116.0128       34.49566 61.55000       54.47217 45.24527 8.085843 31.57603 12.27871 13.66924       14.70196 
1 1 1 -10 7  55 f 45.08588 5.692313 107.7775       24.56205 140.3091       35.30050 77.24676       34.19772 50.29500 7.390777 35.63466 9.593143 14.66034       12.10999 
1 1 1 -10 7  56 o 22.81055 8.501722 26.42459       25.42695 39.81000       44.47434 19.92480       30.99155 27.40719 10.95779 22.28879 9.063033 5.118406       14.22011 
1 1 1 -10 7  57 o 51.21976 5.128641 137.0262       25.36712 125.0007       36.15900 148.6805       35.59664 46.74218 8.202171 51.87307 7.204927 -5.130890      10.91726 
1 1 1 -10 7  58 o 31.80077 8.725852 60.33492       27.97780 -10.11000      49.17075 94.06037       34.02208 21.72922 10.00720 39.72011 8.964226 -17.99088      13.43508 
1 1 1 -10 7  59 o 28.12276 8.049057 46.33311       23.28103 59.05651       33.82584 34.88113       32.09130 30.72647 9.896889 25.18217 9.516108 5.544300       13.72970 
1 1 1 -10 7  60 o 21.58213 8.457211 22.12563       26.00348 21.95539       33.10212 22.40000       42.02283 22.61699 9.301112 23.93172 10.19935 -1.314735      13.80353 
1 1 1 -10 7  61 f 26.84856 9.736650 44.14480       32.98005 51.05000       47.39071 37.66000       45.92546 28.41132 11.32732 26.30451 10.89988 2.106810       15.71991 
1 1 1 -10 8  1  o 793.8856 21.00254 31269.74       1630.626 31340.00       2310.302 31200.00       2301.827 789.2692 29.95895 787.5335 29.91492 1.735718       42.33723 
1 1 1 -10 8  2  o 568.5142 15.06706 15936.11       837.7086 16580.00       1219.042 15360.00       1153.104 577.6572 21.59772 556.1135 21.22249 21.54364       30.27962 
1 1 1 -10 8  3  o 663.2841 14.26406 21663.16       926.0808 22424.42       1162.347 20340.00       1532.407 673.5294 17.64604 638.4614 24.56656 35.06805       30.24729 
1 1 1 -10 8  4  o 792.5704 17.02991 31014.86       1321.163 31098.31       1621.441 30850.00       2278.923 791.5975 20.94461 782.9146 29.79218 8.682922       36.41772 
1 1 1 -10 8  5  o 199.4181 5.896629 1950.075       114.9734 1860.000       156.3963 2056.000       169.5987 194.5707 8.230476 204.5588 8.488734 -9.988113      11.82368 
1 1 1 -10 8  6  o 288.6151 5.630121 4080.855       159.0534 4035.771       223.5711 4127.057       226.3252 286.7614 7.972790 289.9881 7.981045 -3.226624      11.28107 
1 1 1 -10 8  7  o 532.4421 9.949589 13919.65       518.5418 14297.46       747.8856 13569.89       719.5903 538.5339 14.20022 524.6901 14.02380 13.84375       19.95779 
1 1 1 -10 8  8  o 329.6608 6.333146 5326.057       204.3586 5434.187       293.3295 5224.074       284.8696 332.6354 9.017411 326.1475 8.931718 6.487946       12.69210 
1 1 1 -10 8  9  f 430.7688 8.120774 9103.398       342.4112 9469.093       497.9405 8775.348       471.6163 438.6385 11.60770 422.2912 11.42009 16.34738       16.28365 
1 1 1 -10 8  10 o 255.6808 5.079892 3202.656       127.1331 3158.796       178.4938 3247.819       181.1218 253.6940 7.195246 257.2463 7.200171 -3.552368      10.17910 
1 1 1 -10 8  11 o 156.0385 3.583278 1192.275       54.72911 1153.821       76.04338 1233.598       78.82908 153.3761 5.072189 158.5946 5.084562 -5.218521      7.181913 
1 1 1 -10 8  12 o 106.8662 3.144501 559.6671       32.85685 529.5682       45.23548 593.2813       47.80404 103.8786 4.459226 109.9614 4.450576 -6.082840      6.300184 
1 1 1 -10 8  13 o 207.9510 4.313957 2118.368       87.80982 2066.843       122.2842 2173.220       126.1707 205.2218 6.094273 210.4378 6.131855 -5.216019      8.645219 
1 1 1 -10 8  14 f 376.4422 8.281720 6961.208       305.1582 6839.376       368.9576 7225.000       542.9077 372.6575 10.12425 381.7671 14.55518 -9.109558      17.73002 
1 1 1 -10 8  15 o 61.74255 4.042925 187.5513       24.29913 179.3063       28.18830 211.4000       47.94064 60.29556 4.816149 65.16491 7.662198 -4.869347      9.050114 
1 1 1 -10 8  16 o 202.2365 6.074758 2008.314       120.1163 1865.000       163.3577 2177.000       177.2293 194.5521 8.599475 210.2205 8.631352 -15.66841      12.18406 
1 1 1 -10 8  17 o 280.6544 6.370142 3866.165       174.9956 3742.033       209.4663 4153.000       318.4122 275.8100 7.766593 289.7795 11.24712 -13.96948      13.66813 
1 1 1 -10 8  18 o 201.5134 4.894644 1991.051       96.54530 1903.222       114.7403 2204.000       178.6638 196.8418 5.962016 211.4302 8.651304 -14.58838      10.50670 
1 1 1 -10 8  19 o 190.2131 4.697227 1773.948       87.45570 1714.600       104.5781 1912.000       159.4990 186.8355 5.725162 196.9288 8.293078 -10.09331      10.07733 
1 1 1 -10 8  20 o 105.3395 3.663435 544.3735       37.71589 507.0322       44.30242 642.7000       71.88991 101.5968 4.465845 114.2041 6.457331 -12.60731      7.851171 
1 1 1 -10 8  21 o 127.8226 3.834401 801.4729       47.92035 802.6656       57.97365 798.9000       85.14528 127.8497 4.640296 127.2964 6.858750 0.5533218      8.280991 
1 1 1 -10 8  22 o 216.4995 4.477075 2298.668       94.87623 2317.586       134.5804 2279.977       133.7737 217.0748 6.340625 215.3024 6.354643 1.772369       8.976915 
1 1 1 -10 8  23 f 151.9843 4.110785 1133.385       61.09854 1166.110       75.86909 1073.000       103.0596 154.0673 5.037703 147.4917 7.160018 6.575607       8.754673 
1 1 1 -10 8  24 f 169.0873 4.383339 1403.241       72.48628 1347.805       86.90289 1530.000       131.4102 165.5929 5.368594 176.0659 7.643344 -10.47296      9.340370 
1 1 1 -10 8  25 o 116.0661 3.942266 661.2891       44.72256 685.5000       82.39296 651.1765       53.24972 117.7717 7.181456 115.0972 4.736693 2.674454       8.602881 
1 1 1 -10 8  26 o 176.0098 3.926394 1519.207       67.64519 1417.638       92.36549 1636.706       99.34483 169.7634 5.566049 182.4215 5.570218 -12.65811      7.874530 
1 1 1 -10 8  27 o 142.4695 3.988312 996.4116       55.56352 981.0000       91.39334 1005.448       69.98211 140.9834 6.641447 142.9901 5.007786 -2.006668      8.317857 
1 1 1 -10 8  28 o 122.6767 3.383677 738.3965       40.59216 698.4141       56.73162 780.3381       58.10499 119.1436 4.874910 125.9685 4.720786 -6.824951      6.786057 
1 1 1 -10 8  29 o 217.6680 4.534972 2327.063       96.62187 2269.466       134.7704 2387.977       138.5979 214.4803 6.426743 220.0096 6.442835 -5.529236      9.100173 
1 1 1 -10 8  30 o 133.3665 3.484404 873.1573       45.44744 831.3969       63.45673 917.1360       65.12034 129.9251 4.999074 136.4888 4.882176 -6.563721      6.987587 
1 1 1 -10 8  31 o 112.2096 3.319939 618.2908       36.42409 676.5076       52.59078 564.6194       50.49594 117.2030 4.593105 107.0196 4.832913 10.18336       6.667358 
1 1 1 -10 8  32 o 64.78427 3.700075 206.8135       23.36558 218.1613       32.30645 194.3670       33.83431 66.36062 5.010639 62.51920 5.587729 3.841415       7.505280 
1 1 1 -10 8  33 o 87.59523 3.337688 377.3575       28.56519 377.5490       39.61140 377.1501       41.23187 87.41904 4.645905 87.33756 4.842046 0.8147430E-01  6.710428 
1 1 1 -10 8  34 o 71.07296 3.548002 248.9614       24.60476 253.0599       34.27492 244.6037       35.34239 71.42656 4.932714 70.16857 5.182301 1.257988       7.154573 
1 1 1 -10 8  35 o 108.2702 3.748157 577.7767       39.66227 631.1000       67.11892 549.1660       49.16447 112.5167 6.117279 105.3186 4.781611 7.198074       7.764335 
1 1 1 -10 8  36 o 24.26820 8.071790 28.40369       22.41963 15.68654       26.70211 58.79000       41.27525 21.97502 8.582085 33.92999 10.93283 -11.95497      13.89889 
1 1 1 -10 8  37 o 15.94781 6.845638 -0.5442399     19.17877 20.14137       25.96749 -25.36984      28.44761 22.74223 8.567614 15.91631 7.426446 6.825923       11.33826 
1 1 1 -10 8  38 o 30.22112 7.168513 47.88235       20.88296 27.63106       28.48329 71.42062       30.70796 24.99594 9.050832 36.66291 8.690305 -11.66698      12.54747 
1 1 1 -10 8  39 o 14.27414 6.486591 -11.00742      19.76691 -1.200107      27.24366 -21.90975      28.72433 18.75034 8.104653 16.35814 7.574298 2.392193       11.09303 
1 1 1 -10 8  40 o 13.34865 6.244164 -18.96511      20.32020 -36.58961      27.93528 0.8388095      29.61217 14.48120 6.931706 19.80954 8.504827 -5.328343      10.97181 
1 1 1 -10 8  41 o 15.89029 7.249172 -14.24518      24.99275 -14.53756      29.49104 -13.50000      47.08108 17.48410 7.936527 22.76562 10.20778 -5.281513      12.93009 
1 1 1 -10 8  42 o 83.68974 4.440349 349.6169       36.24419 382.9000       68.95712 336.9123       42.60369 85.55759 8.339805 81.79060 5.350926 3.766983       9.908822 
1 1 1 -10 8  43 o 22.36572 9.099449 13.83483       31.26197 0.000000       0.000000 13.83483       31.26197 ?        ?        22.36572 9.099449 ?              ?        
1 1 1 -10 8  44 o 52.11119 5.378921 138.4117       27.04292 133.6000       43.44650 141.4549       34.55231 49.32755 9.340167 52.01437 6.961131 -2.686817      11.64886 
1 1 1 -10 8  45 o 26.30583 8.598230 36.58688       25.47781 2.786419       30.62287 112.6000       45.92285 20.04889 8.628711 44.14317 10.73348 -24.09427      13.77179 
1 1 1 -10 8  46 o 35.62664 7.848454 69.58815       26.62908 67.07858       32.93016 74.33000       45.26556 34.32859 9.485311 35.51268 11.44968 -1.184093      14.86830 
1 1 1 -10 8  47 o 116.3438 3.639277 676.0471       41.39332 656.8221       58.23481 695.6792       58.84798 113.4454 5.258631 116.8494 5.157868 -3.404022      7.365922 
1 1 1 -10 8  48 o 32.76917 7.546746 59.16590       23.70664 60.00854       33.95100 58.36415       33.11706 32.21281 9.851979 31.82746 9.729482 0.3853569      13.84645 
1 1 1 -10 8  49 o 54.16380 4.805316 150.0298       25.21225 145.4344       35.64104 154.6326       35.66998 51.98881 7.196581 53.79567 6.935254 -1.806862      9.994425 
1 1 1 -10 8  50 o 31.36034 8.747213 56.38308       27.86031 47.73000       47.98948 60.78216       34.21700 29.82568 11.54509 32.14013 9.901772 -2.314457      15.20967 
1 1 1 -10 8  51 o 69.39240 4.219376 244.1261       28.52390 203.1531       38.97298 291.3927       41.85929 61.79597 6.542380 74.74494 5.765962 -12.94897      8.720611 
1 1 1 -10 8  52 o 39.01806 6.444623 82.21919       23.75474 70.72340       33.47493 93.88040       33.71490 34.34350 9.591459 40.23474 8.805847 -5.891239      13.02072 
1 1 1 -10 8  53 o 56.71725 4.765110 165.8947       26.20980 133.9828       35.61176 203.6104       38.71488 49.01595 7.674090 61.56474 6.523657 -12.54879      10.07223 
1 1 1 -10 8  54 o 45.89946 6.681447 114.3916       29.13766 137.8492       34.61776 57.39000       53.96357 50.01036 7.285862 30.92353 12.16353 19.08683       14.17869 
1 1 1 -10 8  55 o 22.42063 8.431112 24.87658       25.12149 45.86000       43.32588 14.24900       30.83376 28.40003 10.97611 21.26239 8.880565 7.137638       14.11876 
1 1 1 -10 8  56 o 56.32314 4.749102 163.9782       25.93839 157.2422       36.90071 170.5572       36.46797 53.34223 7.255243 55.95605 6.797482 -2.613823      9.942048 
1 1 1 -10 8  57 o 13.90402 6.503271 -16.61651      22.03206 -1.141154      31.56059 -31.32676      30.77052 18.96934 8.441518 15.31627 7.316070 3.653069       11.17068 
1 1 1 -10 8  58 o 29.68240 7.856019 51.04927       23.17770 52.15588       33.76505 50.06319       31.87313 29.22765 9.907555 28.77266 9.625499 0.4549942      13.81339 
1 1 1 -10 8  59 o 12.33075 6.034876 -40.23769      24.39347 -5.723000      44.78820 -54.79370      29.08591 21.17175 9.675990 12.86272 6.352499 8.309030       11.57493 
1 1 1 -10 8  60 o 17.27106 7.646954 -0.9939899E-01 25.57343 -27.85000      44.81185 13.30351       31.14269 18.98566 9.000184 20.75907 8.811255 -1.773401      12.59530 
1 1 1 -10 8  61 o 24.39883 9.452305 33.26560       32.18831 45.10000       49.50805 24.60000       42.36450 27.42793 11.33670 23.97036 10.22902 3.457579       15.26937 
1 1 1 -10 9  1  o 394.6522 10.60109 7655.292       409.1457 7394.000       565.1815 7943.000       593.0637 387.0357 14.94679 401.1253 15.13193 -14.08960      21.26927 
1 1 1 -10 9  2  o 108.6986 3.670608 579.1689       38.99822 570.5767       47.56070 596.8000       68.12981 107.8445 4.515500 110.1747 6.344385 -2.330177      7.787230 
1 1 1 -10 9  3  f 560.0154 12.10372 15421.33       663.4758 16225.85       842.7761 14110.00       1075.965 573.5168 15.02568 532.9006 20.66663 40.61627       25.55153 
1 1 1 -10 9  4  o 545.8196 11.80006 14647.12       630.4341 15266.32       795.2800 13600.00       1034.200 556.3751 14.61580 523.2731 20.22967 33.10193       24.95718 
1 1 1 -10 9  5  o 194.6034 4.775307 1854.853       90.96157 1769.233       108.3702 2059.000       167.3389 189.9338 5.836025 204.7012 8.369258 -14.76743      10.20312 
1 1 1 -10 9  6  o 278.1920 6.318376 3792.852       172.0506 3896.690       214.5964 3606.000       287.8678 281.7664 7.788321 270.6689 10.88769 11.09744       13.38655 
1 1 1 -10 9  7  o 247.3396 5.726305 2997.643       138.6355 3005.523       170.0038 2982.000       239.5312 247.4912 7.024770 246.1983 9.960205 1.292923       12.18824 
1 1 1 -10 9  8  o 303.5741 5.888259 4516.305       174.9677 4477.308       246.6707 4555.794       248.2199 301.9428 8.354187 304.5824 8.333626 -2.639557      11.80007 
1 1 1 -10 9  9  o 224.0400 4.564598 2458.660       100.1000 2432.211       141.0058 2485.531       142.1265 222.6416 6.477185 225.0725 6.457966 -2.430878      9.146543 
1 1 1 -10 9  10 o 451.3240 8.499596 10000.80       375.4853 10467.42       548.7278 9589.908       514.9162 460.8062 12.17624 441.1165 11.93648 19.68967       17.05111 
1 1 1 -10 9  11 o 183.9697 3.951314 1657.635       71.15316 1630.903       99.73077 1685.350       101.5453 182.3274 5.594808 185.3480 5.603569 -3.020584      7.918450 
1 1 1 -10 9  12 o 258.1947 5.125007 3267.009       129.5233 3222.444       181.9471 3312.796       184.4253 256.1534 7.264031 259.7227 7.261573 -3.569366      10.27115 
1 1 1 -10 9  13 o 329.6431 7.342797 5333.946       236.9254 5326.462       289.9020 5349.000       411.1372 329.0447 9.009464 328.8784 12.79601 0.1662598      15.64955 
1 1 1 -10 9  14 o 143.6980 5.074075 1013.413       71.25770 979.0000       100.6475 1048.000       100.9002 141.0196 7.316523 145.9432 7.084373 -4.923553      10.18429 
1 1 1 -10 9  15 o 322.7795 7.207808 5116.384       227.7274 5043.250       276.1012 5272.000       402.7516 320.0748 8.821144 326.2703 12.63500 -6.195496      15.40960 
1 1 1 -10 9  16 o 289.6512 6.547373 4118.622       185.6302 3988.996       222.2130 4418.000       337.7018 284.7359 7.980857 298.8127 11.56776 -14.07681      14.05372 
1 1 1 -10 9  17 o 148.8148 4.052464 1086.010       58.97486 1041.927       70.17551 1192.000       108.8136 145.6904 4.928037 155.5952 7.163869 -9.904831      8.695204 
1 1 1 -10 9  18 o 82.81135 3.598771 336.6115       29.10129 318.2224       33.98132 387.2000       56.36203 80.45849 4.330774 88.55331 6.548768 -8.094826      7.851240 
1 1 1 -10 9  19 o 80.45254 3.642819 317.7923       28.61248 291.8067       33.17815 393.2000       56.51892 77.02489 4.419178 89.23341 6.515739 -12.20852      7.872992 
1 1 1 -10 9  20 f 191.3296 4.720792 1795.357       88.41035 1701.438       104.4920 2032.000       165.8640 186.0766 5.743881 202.9252 8.368409 -16.84856      10.15000 
1 1 1 -10 9  21 o 259.0172 5.968161 3295.208       151.3127 3170.580       180.3949 3591.000       277.9127 253.7510 7.270401 269.1708 10.56864 -15.41985      12.82790 
1 1 1 -10 9  22 o 72.38842 4.337239 257.8842       30.59092 240.2000       38.61147 287.7000       50.13559 69.70529 5.709035 76.18724 6.794125 -6.481949      8.874301 
1 1 1 -10 9  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 9  24 o 175.4502 3.887003 1509.223       66.75363 1414.191       90.91602 1620.378       98.32668 169.6004 5.483763 181.5473 5.539669 -11.94693      7.794844 
1 1 1 -10 9  25 o 136.7209 3.908929 917.3429       52.25802 894.6000       85.62264 930.8438       65.97004 134.6865 6.514006 137.6170 4.905279 -2.930527      8.154387 
1 1 1 -10 9  26 o 178.1530 5.599310 1561.514       97.52012 0.000000       0.000000 1561.514       97.52012 ?        ?        178.1530 5.599310 ?              ?        
1 1 1 -10 9  27 o 189.5445 4.118790 1762.712       76.41647 1728.673       107.1911 1797.889       108.9693 187.3781 5.851486 191.0998 5.832384 -3.721680      8.261755 
1 1 1 -10 9  28 o 255.5471 5.135252 3210.005       128.4514 3093.000       177.6526 3338.190       185.9466 250.2025 7.261619 259.9199 7.316019 -9.717468      10.30802 
1 1 1 -10 9  29 o 163.8257 4.287573 1318.872       68.69519 1242.000       111.8027 1365.495       87.06950 158.3813 7.230853 166.5119 5.349072 -8.130630      8.994320 
1 1 1 -10 9  30 o 153.8194 4.152960 1162.999       62.47086 1241.000       107.6547 1123.398       76.70686 158.2864 6.965429 150.9904 5.197886 7.295975       8.691100 
1 1 1 -10 9  31 o 97.87659 3.258699 470.5859       31.17621 445.9655       42.73247 498.6034       45.58533 95.10179 4.604212 100.5638 4.643560 -5.461998      6.539222 
1 1 1 -10 9  32 o 182.3360 4.005309 1634.497       71.48494 1575.652       98.91283 1698.836       103.4282 178.5334 5.667315 185.3747 5.706894 -6.841293      8.042829 
1 1 1 -10 9  33 o 39.17610 5.342824 77.18245       19.95460 109.7649       27.02532 38.12592       29.58871 46.69930 6.054656 28.07583 9.270669 18.62347       11.07268 
1 1 1 -10 9  34 o 70.89590 3.546127 247.7997       24.53018 247.6138       33.54334 248.0133       35.96495 70.63969 4.881239 70.62347 5.239977 0.1622772E-01  7.161275 
1 1 1 -10 9  35 o 126.4162 3.419821 786.7970       42.27789 751.1030       58.28883 826.4202       61.41337 123.1450 4.845190 129.1740 4.865848 -6.029045      6.866756 
1 1 1 -10 9  36 o 56.04661 4.574508 156.3699       24.87764 193.2000       38.60858 130.2217       32.53143 61.85839 6.472131 50.58906 6.736936 11.26933       9.342097 
1 1 1 -10 9  37 o 25.19144 8.065836 31.77621       22.49094 28.90819       26.22565 39.75000       43.72876 24.93794 8.720353 30.12043 11.16384 -5.182493      14.16601 
1 1 1 -10 9  38 o 46.22180 4.899232 107.3029       21.82858 109.3067       29.67992 104.9419       32.21638 46.13817 6.773535 44.92903 7.596081 1.209141       10.17749 
1 1 1 -10 9  39 o 29.26485 7.192985 45.10487       20.45601 60.83057       27.95314 26.97354       30.01513 33.76893 8.472039 25.03824 9.254774 8.730684       12.54696 
1 1 1 -10 9  40 o 35.22286 7.435963 65.45406       24.83097 66.32439       29.04430 63.09000       47.86823 35.17862 8.525083 34.67685 11.79607 0.5017776      14.55418 
1 1 1 -10 9  41 o 27.07871 7.702630 38.68088       21.38479 62.40035       29.12509 10.93611       31.49962 34.02548 8.709178 22.01974 9.066186 12.00573       12.57162 
1 1 1 -10 9  42 o 37.83931 6.817220 74.95594       24.32115 82.42000       37.47715 69.52541       31.96690 38.65844 9.870999 35.71277 9.115245 2.945667       13.43593 
1 1 1 -10 9  43 o 22.11230 8.980634 13.90127       30.38833 0.000000       0.000000 13.90127       30.38833 ?        ?        22.11230 8.980634 ?              ?        
1 1 1 -10 9  44 o 19.20723 8.080443 5.676416       25.81225 94.51000       48.88926 -28.65724      30.39379 40.19397 11.71295 15.97075 7.522882 24.22322       13.92074 
1 1 1 -10 9  45 o 23.91655 7.884966 29.68119       21.40723 35.45605       29.23256 23.00285       31.43621 26.28936 9.205722 23.84230 9.311686 2.447062       13.09400 
1 1 1 -10 9  46 f 19.60919 8.090021 9.616708       25.14888 30.43444       31.32095 -28.16000      42.19201 25.27636 9.432800 19.38847 9.045784 5.887884       13.06920 
1 1 1 -10 9  47 o 57.35332 5.483704 169.6635       30.41054 171.2176       37.77176 166.8000       51.27207 56.77326 6.941183 53.80280 10.10677 2.970459       12.26078 
1 1 1 -10 9  48 o 34.28429 8.207545 65.85072       27.17714 61.66142       33.80987 73.50000       45.68593 32.59504 9.803114 34.88139 11.51973 -2.286343      15.12631 
1 1 1 -10 9  49 o 22.99786 8.636289 24.82758       26.33950 42.32000       46.40632 16.51419       31.99200 28.91311 11.30736 22.35146 9.162587 6.561651       14.55367 
1 1 1 -10 9  50 o 57.37305 4.712764 168.4540       26.23299 147.7624       36.40685 190.7976       37.83230 52.14366 7.335568 59.90912 6.558600 -7.765457      9.840010 
1 1 1 -10 9  51 o 36.54578 7.018815 73.19416       24.19531 76.56516       33.88903 69.68931       34.55536 35.95894 9.491074 34.13135 9.818041 1.827595       13.65556 
1 1 1 -10 9  52 f 52.92878 5.038623 145.2975       25.78963 146.1148       36.25866 144.4607       36.68925 51.48188 7.408366 51.06503 7.569027 0.4168434      10.59123 
1 1 1 -10 9  53 o 58.37692 5.573977 179.0675       31.46397 168.2118       37.67361 204.1000       57.20848 55.41951 7.108416 57.78588 10.50090 -2.366379      12.68063 
1 1 1 -10 9  54 o 18.80015 7.959800 7.510929       25.30765 73.09000       43.89048 -25.15255      30.97554 33.74506 11.29536 16.03872 7.567027 17.70634       13.59577 
1 1 1 -10 9  55 o 53.33588 4.984544 147.8687       25.72123 150.6034       37.51302 145.4423       35.33522 51.93282 7.604959 51.31519 7.235453 0.6176300      10.49701 
1 1 1 -10 9  56 o 43.03291 5.957190 99.17926       24.42053 100.8231       35.23167 97.65920       33.87969 41.27433 8.976797 40.78076 8.749588 0.4935646      12.53548 
1 1 1 -10 9  57 f 15.10579 6.875564 -8.485365      22.32037 -15.97163      32.24631 -1.599338      30.92657 17.28019 8.009578 18.70582 8.338248 -1.425631      11.56199 
1 1 1 -10 9  58 o 20.80994 7.939902 20.46037       22.47201 1.707857       33.07671 36.53609       30.62512 19.67205 8.704015 25.53770 9.363925 -5.865658      12.78448 
1 1 1 -10 9  59 o 20.93771 8.025334 21.06026       23.02747 32.57570       33.73624 11.01497       31.50922 24.76146 9.653316 20.57618 8.802214 4.185276       13.06390 
1 1 1 -10 9  60 o 16.76841 7.324442 2.031169       22.74071 -21.45201      33.05728 23.12770       31.33243 16.69352 7.857843 22.45976 9.120058 -5.766241      12.03832 
1 1 1 -10 10 1  o 303.7627 5.895172 4521.413       175.2820 4611.973       252.4633 4437.135       243.5492 306.4806 8.423666 300.6269 8.284512 5.853760       11.81488 
1 1 1 -10 10 2  o 182.0497 3.908909 1622.896       69.65492 1583.003       97.97626 1663.665       99.04633 179.6618 5.578087 184.1917 5.499825 -4.529861      7.833463 
1 1 1 -10 10 3  o 575.3594 15.27165 16348.25       859.3047 16980.00       1248.734 15780.00       1184.305 583.6315 21.89756 562.7693 21.53920 20.86212       30.71547 
1 1 1 -10 10 4  o 293.0916 8.136408 4217.639       233.1964 3837.000       310.3812 4711.000       353.3627 279.1075 11.38493 309.2613 11.69424 -30.15384      16.32090 
1 1 1 -10 10 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 10 6  o 262.7496 6.024002 3383.636       154.9292 3226.241       183.7968 3770.000       287.9666 256.3732 7.331710 276.7218 10.65134 -20.34854      12.93078 
1 1 1 -10 10 7  o 451.9102 9.846188 10035.23       435.5384 10174.85       539.1585 9773.000       738.9008 454.4119 12.13247 443.8788 17.03816 10.53302       20.91640 
1 1 1 -10 10 8  o 274.3806 6.251760 3690.878       167.9044 3720.848       206.8570 3633.000       287.4661 275.2653 7.684891 271.5411 10.83722 3.724182       13.28544 
1 1 1 -10 10 9  o 319.6424 6.173123 5009.256       193.1415 5048.729       275.3192 4971.008       271.0182 320.4902 8.784670 318.0229 8.714520 2.467316       12.37389 
1 1 1 -10 10 10 o 86.53181 3.069882 367.0924       25.96062 359.1336       36.47514 375.2631       36.95734 85.51055 4.372354 87.41730 4.332638 -1.906754      6.155423 
1 1 1 -10 10 11 o 149.7634 3.493030 1098.416       51.20523 1085.714       72.04193 1111.385       72.79419 148.7645 4.954343 150.5153 4.947666 -1.750824      7.001779 
1 1 1 -10 10 12 o 337.4547 7.498857 5591.024       247.6947 5550.409       301.7051 5675.000       433.8269 335.8356 9.186665 338.6265 13.11327 -2.790894      16.01102 
1 1 1 -10 10 13 o 74.97223 3.915334 276.0993       28.63306 243.0000       54.42270 288.7682       33.66979 69.85965 8.109296 76.63343 4.508572 -6.773781      9.278357 
1 1 1 -10 10 14 o 128.0260 3.269670 803.2750       40.94048 784.9286       56.88453 822.9904       58.96886 126.4692 4.602863 129.4989 4.659712 -3.029655      6.549753 
1 1 1 -10 10 15 o 257.8551 5.127149 3260.235       129.4070 3144.085       178.8324 3387.908       187.4930 252.8818 7.232172 262.5000 7.304186 -9.618210      10.27888 
1 1 1 -10 10 16 o 84.09960 3.150565 346.8985       25.88929 309.6624       34.32693 396.0199       39.42646 79.36047 4.436668 89.77194 4.501205 -10.41148      6.320195 
1 1 1 -10 10 17 o 178.5456 4.507787 1563.746       78.71750 1491.807       93.33436 1741.000       146.5062 174.2917 5.477700 187.9557 7.981492 -13.66406      9.680362 
1 1 1 -10 10 18 o 125.6749 3.797221 774.6595       46.65760 726.2956       54.85996 901.1000       88.70289 121.6205 4.616699 135.2606 6.720826 -13.64006      8.153736 
1 1 1 -10 10 19 o 283.9505 6.447589 3961.404       179.2034 3788.308       212.6165 4386.000       332.9977 277.3113 7.840780 297.3246 11.46353 -20.01331      13.88850 
1 1 1 -10 10 20 o 76.58080 3.648005 288.0504       27.26660 252.4279       31.21647 402.7000       56.00259 71.60754 4.476065 90.30553 6.376599 -18.69799      7.790775 
1 1 1 -10 10 21 o 166.7509 5.274716 1366.187       85.98586 1366.187       85.98586 0.000000       0.000000 166.7509 5.274716 ?        ?        ?              ?        
1 1 1 -10 10 22 o 234.9839 6.765381 2718.299       155.4477 2718.299       155.4477 0.000000       0.000000 234.9839 6.765381 ?        ?        ?              ?        
1 1 1 -10 10 23 o 135.4331 4.687714 901.0487       62.04929 916.8000       85.02269 883.1000       90.75993 136.3972 6.386025 133.7751 6.955151 2.622025       9.442216 
1 1 1 -10 10 24 o 93.80436 3.574582 431.9499       32.76115 396.3000       49.78186 459.1844       43.51121 89.62688 5.704085 96.62638 4.613769 -6.999496      7.336447 
1 1 1 -10 10 25 o 188.2210 5.789111 1743.218       106.5294 0.000000       0.000000 1743.218       106.5294 ?        ?        188.2210 5.789111 ?              ?        
1 1 1 -10 10 26 o 143.3410 3.507191 1007.372       49.20805 977.4537       68.48518 1039.304       70.75154 140.9835 4.970523 145.3797 4.979290 -4.396194      7.035583 
1 1 1 -10 10 27 o 213.0558 4.452394 2228.512       92.85241 2107.396       127.0567 2367.335       136.0282 206.7730 6.284954 219.1501 6.348028 -12.37712      8.932979 
1 1 1 -10 10 28 o 225.1420 4.642168 2490.198       102.3019 2321.973       138.7342 2690.687       151.4546 216.9043 6.541930 233.4785 6.633915 -16.57423      9.316957 
1 1 1 -10 10 29 o 196.5749 4.218400 1897.849       81.16746 1748.443       109.7277 2078.390       120.6202 188.2566 5.962214 205.2553 6.010180 -16.99867      8.465829 
1 1 1 -10 10 30 o 214.9430 4.483859 2271.494       94.33688 2226.338       131.6823 2319.105       135.2128 212.2179 6.346397 216.5848 6.384956 -4.366882      9.002467 
1 1 1 -10 10 31 o 200.4079 4.272386 1975.175       83.80915 2002.043       119.2701 1948.969       117.7918 201.1863 6.063492 198.4972 6.069670 2.689102       8.579443 
1 1 1 -10 10 32 f 224.5031 4.651751 2483.232       102.2221 2413.140       141.8115 2559.042       147.4831 220.4867 6.578228 227.0279 6.643917 -6.541260      9.349584 
1 1 1 -10 10 33 o 43.22788 4.669937 93.22172       19.44645 93.73401       25.45300 92.50336       30.14021 43.03814 6.222373 42.44571 7.530224 0.5924377      9.768428 
1 1 1 -10 10 34 o 75.48855 3.473422 280.8798       25.59642 263.3986       34.38488 302.6069       38.33386 72.84868 4.849755 78.06175 5.043930 -5.213074      6.997239 
1 1 1 -10 10 35 o 54.49436 4.066375 147.2685       21.53392 134.7784       28.37113 164.2426       33.07409 51.78542 5.690763 57.14752 6.002155 -5.362099      8.271073 
1 1 1 -10 10 36 o 12.36674 5.812388 -18.59604      17.96704 -35.86911      22.89976 9.064798       28.97870 12.61985 6.100099 21.21568 8.711288 -8.595831      10.63474 
1 1 1 -10 10 37 o 72.78882 4.048561 262.6950       28.73142 250.9000       43.11297 272.1186       38.53592 70.48007 6.316256 73.72887 5.376721 -3.248795      8.294830 
1 1 1 -10 10 38 f 26.37499 8.115138 35.76527       22.99209 25.14981       26.86471 64.83000       44.45246 24.03837 8.777219 35.04681 11.35036 -11.00843      14.34818 
1 1 1 -10 10 39 o 51.26236 5.329339 132.6086       26.35117 110.2816       31.21339 188.0000       49.16389 46.13313 7.142950 59.84649 8.642768 -13.71335      11.21246 
1 1 1 -10 10 40 o 12.06380 5.794145 -27.96903      19.88971 -19.04982      26.33535 -39.81145      30.34562 15.77085 7.284764 15.04217 7.206730 0.7286873      10.24718 
1 1 1 -10 10 41 o 50.39294 5.309338 128.5984       25.79575 53.81000       37.48753 195.8589       35.55087 31.87404 10.43039 62.07203 5.922972 -30.19799      11.99478 
1 1 1 -10 10 42 o 35.12210 7.200098 65.32064       23.92084 72.82000       35.53072 59.10357       32.35080 36.33888 9.776402 32.91996 9.508935 3.418922       13.63810 
1 1 1 -10 10 43 o 83.59483 3.571234 347.2502       29.15426 339.2359       40.27528 356.0724       42.25676 82.01186 5.041500 83.96741 5.166390 -1.955551      7.218608 
1 1 1 -10 10 44 o 29.32595 7.306233 46.44726       20.89487 58.46617       28.73613 32.96366       30.43676 32.49608 8.813395 25.94506 9.361254 6.551025       12.85725 
1 1 1 -10 10 45 o 32.81379 8.508343 59.96924       27.55378 48.25000       52.60400 64.40027       32.34605 31.07101 12.07079 33.69461 9.434942 -2.623600      15.32065 
1 1 1 -10 10 46 o 55.82523 5.815203 161.4382       31.31091 172.1000       59.44373 157.3443       36.83500 53.56916 11.66775 54.40185 7.085571 -0.8326950     13.65071 
1 1 1 -10 10 47 o 63.59798 4.402262 204.7526       27.23560 200.7718       37.87860 209.0135       39.18872 61.89378 6.341897 63.10136 6.434727 -1.207588      9.034676 
1 1 1 -10 10 48 o 44.57446 8.369318 110.6531       35.17528 166.1000       51.87187 63.45000       47.86061 53.31332 10.31305 32.84533 11.75263 20.46799       15.63596 
1 1 1 -10 10 49 o 20.07420 8.200601 12.51786       25.51643 -10.20060      30.90196 61.20000       45.23571 17.93116 8.133402 32.11952 11.43320 -14.18835      14.03104 
1 1 1 -10 10 50 o 65.13174 4.863198 217.6541       30.78042 214.1115       38.11132 224.3000       52.19949 63.70538 6.189771 63.13665 8.675689 0.5687256      10.65743 
1 1 1 -10 10 51 o 68.78140 4.166039 240.1028       27.91641 265.0877       39.87235 216.0783       39.09854 71.14349 5.775350 63.76063 6.349010 7.382866       8.582808 
1 1 1 -10 10 52 o 31.83097 8.918878 59.74857       28.89441 67.82238       34.71722 41.55000       52.12237 33.36126 9.910342 28.56733 11.70121 4.793934       15.33406 
1 1 1 -10 10 53 o 21.76932 8.449134 21.51553       25.75452 25.55000       44.55918 19.49164       31.56007 25.35962 10.63949 22.37979 9.128636 2.979830       14.01894 
1 1 1 -10 10 54 o 42.00416 5.976156 94.45797       23.87845 109.7813       35.10048 81.25725       32.57880 43.53954 8.541381 36.92552 9.078459 6.614014       12.46489 
1 1 1 -10 10 55 o 25.75607 8.146900 37.92274       23.00276 8.697102       33.46251 64.10586       31.67285 20.86499 9.000256 32.48770 9.416168 -11.62271      13.02570 
1 1 1 -10 10 56 o 18.17252 7.565350 8.855696       22.27061 13.92788       32.38921 4.307166       30.67173 21.45567 9.040383 19.54467 8.522272 1.911005       12.42408 
1 1 1 -10 10 57 o 49.91898 5.295166 131.1026       25.47914 133.0974       36.72053 129.2505       35.38258 48.23400 8.061996 47.69218 7.852473 0.5418205      11.25420 
1 1 1 -10 10 58 o 21.60567 8.074623 23.49687       22.96745 33.58340       33.38232 14.43077       31.64872 25.04643 9.646605 21.25209 8.944487 3.794342       13.15526 
1 1 1 -10 10 59 f 23.56691 8.204778 31.24384       23.20183 50.86350       33.95960 14.06830       31.77402 28.58437 9.927787 21.07436 8.920627 7.510015       13.34686 
1 1 1 -10 10 60 o 21.09565 8.018572 22.47962       22.86518 23.32559       33.29976 21.72493       31.45181 22.72466 9.335339 22.17873 9.087564 0.5459251      13.02814 
1 1 1 -10 11 1  o 218.0987 6.301791 2333.695       134.3902 2248.000       187.1141 2425.000       193.1421 213.7838 8.961690 222.0616 8.903869 -8.277863      12.63292 
1 1 1 -10 11 2  f 332.4671 9.045460 5431.831       294.0911 5449.000       417.9872 5415.000       413.8587 332.3004 12.87503 331.2791 12.78698 1.021301       18.14589 
1 1 1 -10 11 3  o 432.9152 8.165231 9197.866       346.0011 9633.497       506.0289 8815.373       474.1631 442.2517 11.69987 423.0977 11.45990 19.15408       16.37732 
1 1 1 -10 11 4  o 382.7909 8.412960 7193.009       315.2221 6977.622       378.0929 7684.000       570.8541 376.6008 10.26636 394.1209 14.82396 -17.52011      18.03186 
1 1 1 -10 11 5  o 95.72459 4.480138 449.8370       41.86149 449.8370       41.86149 0.000000       0.000000 95.72459 4.480138 ?        ?        ?              ?        
1 1 1 -10 11 6  o 551.9446 11.96289 15007.03       646.3055 15598.46       814.2685 14000.00       1062.519 561.5505 14.82698 529.3928 20.54366 32.15765       25.33537 
1 1 1 -10 11 7  o 393.5310 8.644979 7606.340       333.0038 7700.602       411.7085 7428.000       566.2971 395.4596 10.64576 387.2426 14.96834 8.217041       18.36800 
1 1 1 -10 11 8  o 153.6174 4.158166 1156.774       62.46674 1109.763       74.70992 1266.000       113.8780 150.4010 5.082129 160.4595 7.269382 -10.05859      8.869721 
1 1 1 -10 11 9  o 94.59195 3.647249 438.8656       33.70632 417.8077       39.81872 492.1000       63.31042 92.24230 4.423013 99.95285 6.506398 -7.710548      7.867417 
1 1 1 -10 11 10 o 127.0772 3.818887 791.6906       47.44796 778.0555       57.13221 822.0000       85.18063 125.9252 4.643084 129.2584 6.755945 -3.333221      8.197623 
1 1 1 -10 11 11 o 88.41906 3.614164 383.5565       31.21358 360.1735       36.47695 447.5000       60.32068 85.62669 4.366560 95.28166 6.506762 -9.654968      7.836121 
1 1 1 -10 11 12 f 84.12573 3.812539 347.3971       31.31260 265.0000       58.20400 380.9580       37.14613 72.96000 8.297307 88.06848 4.322305 -15.10848      9.355620 
1 1 1 -10 11 13 o 75.46557 3.094986 279.3756       22.81346 251.0161       30.82014 313.7467       33.92978 71.43151 4.429766 79.89632 4.355052 -8.464806      6.212029 
1 1 1 -10 11 14 o 105.7591 3.105313 548.2689       32.11136 529.0886       44.55784 568.9944       46.31792 103.8079 4.395128 107.6575 4.404704 -3.849640      6.222425 
1 1 1 -10 11 15 o 300.8833 5.852535 4442.513       172.3647 4368.698       240.9703 4519.849       246.6499 297.8652 8.272911 302.9666 8.325146 -5.101349      11.73666 
1 1 1 -10 11 16 o 170.7929 3.771193 1429.299       63.04561 1354.795       86.29428 1514.593       92.33150 166.1020 5.314473 175.6276 5.377283 -9.525543      7.560343 
1 1 1 -10 11 17 o 163.1656 3.689403 1304.518       58.92384 1227.624       80.58918 1392.846       86.37292 158.1047 5.214592 168.4157 5.245884 -10.31105      7.396707 
1 1 1 -10 11 18 o 198.1074 4.842859 1925.015       93.90932 1818.168       110.6599 2200.000       177.5266 192.3411 5.884685 211.1121 8.609071 -18.77095      10.42812 
1 1 1 -10 11 19 f 107.5858 3.730543 567.9426       39.22614 563.9946       46.70135 577.4000       72.28150 107.1512 4.462494 108.1508 6.863372 -0.9995499     8.186558 
1 1 1 -10 11 20 o 175.2940 5.451052 1509.994       93.41689 1509.994       93.41689 0.000000       0.000000 175.2940 5.451052 ?        ?        ?              ?        
1 1 1 -10 11 21 o 178.3193 4.546440 1560.775       79.29057 1530.672       95.40571 1628.000       142.5729 176.4664 5.530221 181.5652 8.042240 -5.098816      9.760173 
1 1 1 -10 11 22 o 117.5286 4.929216 679.1076       56.57993 760.2000       85.71902 616.5000       75.31835 124.0721 7.087735 111.7151 6.921830 12.35696       9.906953 
1 1 1 -10 11 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 11 25 o 181.1238 3.970155 1609.184       70.38647 1501.205       95.85916 1735.510       103.6836 174.6561 5.614463 187.7992 5.646821 -13.14308      7.962963 
1 1 1 -10 11 26 o 75.20029 3.272071 277.7406       24.02745 226.6940       31.21769 351.9306       37.63483 67.77934 4.735190 84.54297 4.564781 -16.76363      6.577177 
1 1 1 -10 11 27 o 201.0588 4.260129 1984.594       83.84016 1831.009       113.1551 2171.536       124.8400 192.7359 6.005312 209.8911 6.082917 -17.15526      8.547845 
1 1 1 -10 11 28 o 216.7866 5.255091 2312.168       111.5113 2117.000       186.5365 2420.700       139.1029 206.1023 9.270171 221.4391 6.424436 -15.33676      11.27872 
1 1 1 -10 11 29 o 141.1346 3.499583 977.4470       48.34550 889.8475       65.53814 1082.018       71.60582 134.3873 4.990968 148.2166 4.942572 -13.82932      7.024157 
1 1 1 -10 11 30 o 173.7760 3.893471 1483.581       66.22670 1470.968       93.15264 1496.473       94.17310 172.6183 5.520277 174.1064 5.532961 -1.488113      7.815825 
1 1 1 -10 11 31 o 208.2217 4.392300 2133.767       89.52085 2138.856       126.4914 2128.660       126.7121 207.7984 6.225909 207.2917 6.252110 0.5067444      8.823311 
1 1 1 -10 11 32 o 97.71922 3.258558 469.5378       31.12461 521.7075       44.12093 417.8574       43.91349 102.8192 4.394069 91.90104 4.899409 10.91812       6.581189 
1 1 1 -10 11 33 o 91.86372 3.755087 415.9844       33.69410 389.3074       39.81465 483.3000       63.24586 88.70356 4.601323 98.32185 6.610081 -9.618294      8.053903 
1 1 1 -10 11 34 o 61.81603 4.287139 189.4489       25.77958 153.4104       29.81874 296.1000       51.29661 55.33078 5.581979 76.67004 6.909338 -21.33925      8.882423 
1 1 1 -10 11 35 o 31.21657 6.500772 50.44455       19.21732 74.61489       24.83064 14.34323       30.34645 38.03180 6.925192 22.64103 9.051757 15.39077       11.39704 
1 1 1 -10 11 36 o 35.24318 5.866886 63.57536       19.52781 60.89257       25.24791 67.56972       30.80745 34.03595 7.752363 35.66234 8.863931 -1.626396      11.77575 
1 1 1 -10 11 37 o 15.67877 6.805151 -2.118461      19.36901 23.97206       24.77584 -43.12700      31.06163 23.34950 8.443111 15.06455 7.236789 8.284954       11.12013 
1 1 1 -10 11 38 o 46.98209 6.323451 112.8880       28.34221 85.18000       35.03045 165.4000       48.22502 39.82152 9.175790 55.91251 9.126166 -16.09099      12.94148 
1 1 1 -10 11 39 o 34.70385 7.357492 63.49739       24.21611 67.46696       28.86766 54.07000       44.48730 35.50545 8.432436 32.63136 11.36115 2.874084       14.14856 
1 1 1 -10 11 40 o 18.25502 7.514283 6.629975       21.63169 6.442000       30.29203 6.825581       30.90071 20.89992 8.770656 21.13908 8.863852 -0.2391624     12.46965 
1 1 1 -10 11 41 o 23.27217 8.053714 26.05869       22.33953 33.56000       32.14285 19.04968       31.07018 26.67363 9.620581 23.38224 9.219649 3.291391       13.32507 
1 1 1 -10 11 42 o 59.96329 4.149633 179.7865       24.20552 162.6902       32.50539 201.0674       36.26611 56.38235 5.980992 62.74047 5.977519 -6.358116      8.455945 
1 1 1 -10 11 43 o 13.14812 6.134386 -16.67643      19.40435 -33.80109      26.16971 4.236346       28.91970 13.94858 6.685376 19.88705 8.467853 -5.938470      10.78883 
1 1 1 -10 11 44 o 66.85857 3.953219 223.8635       25.75558 220.2735       35.80015 227.7152       37.08142 65.56062 5.633296 66.60740 5.743633 -1.046783      8.045082 
1 1 1 -10 11 45 o 19.28630 7.661761 12.63142       21.60630 -12.81052      29.79847 40.83530       31.37425 17.45493 7.944598 27.66967 9.545794 -10.21474      12.41929 
1 1 1 -10 11 46 o 52.46672 6.117358 143.8399       30.82752 152.9000       58.38105 140.3370       36.30099 49.89989 12.08286 51.04353 7.488149 -1.143631      14.21506 
1 1 1 -10 11 47 o 24.61914 8.962087 30.33832       27.97776 0.7218000      51.11058 43.00955       33.43129 24.14095 10.74272 28.09253 9.844110 -3.951574      14.57095 
1 1 1 -10 11 48 o 41.89219 7.053717 94.84762       27.89743 97.26000       50.00901 93.75773       33.61366 39.35119 11.94143 40.69735 8.701674 -1.346161      14.77555 
1 1 1 -10 11 49 f 47.55796 5.320938 117.4048       24.34546 116.6935       34.15391 118.1396       34.71223 45.93822 7.879081 46.16870 7.969125 -0.2304802     11.20655 
1 1 1 -10 11 50 o 38.07481 7.411044 80.08931       26.62593 65.58566       32.82282 108.0000       45.53260 33.29035 9.566452 41.76082 10.99140 -8.470467      14.57148 
1 1 1 -10 11 51 o 32.68885 9.681161 64.23132       33.17050 64.23132       33.17050 0.000000       0.000000 32.68885 9.681161 ?        ?        ?              ?        
1 1 1 -10 11 52 o 49.65762 7.191342 135.6231       33.93813 179.6000       50.72768 99.99000       45.66248 54.87226 9.804497 39.35193 11.27565 15.52033       14.94217 
1 1 1 -10 11 53 o 75.49815 4.012469 289.2396       29.54553 299.4156       43.21240 280.3062       40.48792 75.28770 5.911158 73.01200 5.710732 2.275703       8.219139 
1 1 1 -10 11 54 o 33.12759 7.357010 61.93155       23.23494 92.20312       34.24267 36.10173       31.63085 39.38312 9.070086 25.66387 9.497960 13.71926       13.13308 
1 1 1 -10 11 55 o 41.70716 6.172458 93.82919       24.43868 114.2574       35.83939 76.07522       33.41126 44.34429 8.567000 35.35419 9.466631 8.990105       12.76756 
1 1 1 -10 11 56 o 41.48232 6.100699 92.73889       24.03204 81.03592       34.99695 103.1815       33.05870 36.31400 9.672976 42.26484 8.287295 -5.950840      12.73757 
1 1 1 -10 11 57 o 35.44326 7.099079 70.51773       23.76940 88.99403       34.64265 54.08199       32.67370 38.25067 9.335893 29.67722 9.739204 8.573446       13.49115 
1 1 1 -10 11 58 o 50.86306 5.202163 136.2042       25.53518 92.62312       36.81969 176.5894       35.44397 38.51943 9.756399 56.92850 6.475686 -18.40907      11.70990 
1 1 1 -10 11 59 o 20.11177 7.971295 17.71355       23.33633 15.53648       33.70345 19.71849       32.34364 21.59439 9.166108 22.06336 9.145270 -0.4689655     12.94811 
1 1 1 -10 11 60 o 14.60756 6.933321 -23.24179      26.75407 16.98370       32.48819 -108.0000      47.15913 21.48075 9.052747 14.82106 7.438731 6.659688       11.71695 
1 1 1 -10 12 1  o 185.9877 5.618729 1697.020       102.1716 1556.000       139.5405 1860.000       150.0121 177.8551 8.036210 194.5024 7.895847 -16.64738      11.26610 
1 1 1 -10 12 2  o 212.6309 4.379190 2214.753       91.14363 2184.523       128.8442 2245.032       128.9490 210.9833 6.245810 213.8953 6.165440 -2.911926      8.776263 
1 1 1 -10 12 3  o 320.5515 6.187384 5038.183       194.1383 5085.725       277.2043 4992.418       271.9762 321.6359 8.813305 318.6835 8.727185 2.952423       12.40315 
1 1 1 -10 12 4  o 79.65139 3.607441 311.3360       28.05240 229.7000       55.59903 339.2152       32.49125 67.85473 8.561262 83.12387 4.005107 -15.26914      9.451777 
1 1 1 -10 12 5  o 32.51431 7.981084 53.97401       25.20915 53.97401       25.20915 0.000000       0.000000 32.51431 7.981084 ?        ?        ?              ?        
1 1 1 -10 12 6  f 151.9891 5.105945 1133.392       75.85386 1133.392       75.85386 0.000000       0.000000 151.9891 5.105945 ?        ?        ?              ?        
1 1 1 -10 12 7  o 106.7368 3.717930 558.6703       38.78447 549.7320       47.09871 577.5000       68.35991 105.8258 4.557539 108.3114 6.477532 -2.485611      7.920201 
1 1 1 -10 12 8  o 288.7060 6.530679 4089.241       184.5527 4086.368       225.9448 4095.000       319.8959 288.3177 8.013943 287.9812 11.37085 0.3364868      13.91113 
1 1 1 -10 12 9  o 162.4481 4.267747 1293.838       67.80213 1267.941       81.95677 1350.000       120.6931 160.7419 5.215848 165.6407 7.463216 -4.898849      9.105200 
1 1 1 -10 12 10 o 110.4004 4.777149 598.4907       51.50111 588.5000       73.95011 607.9000       71.76611 109.2698 6.950070 111.0979 6.629595 -1.828133      9.604947 
1 1 1 -10 12 11 o 83.02026 3.047915 337.9881       24.72608 319.7781       34.15052 358.0522       35.84705 80.66479 4.341202 85.37173 4.303642 -4.706940      6.112885 
1 1 1 -10 12 12 o 178.8132 3.887598 1566.563       68.04358 1545.255       96.12585 1587.961       96.33079 177.4075 5.542365 179.8511 5.478384 -2.443573      7.792978 
1 1 1 -10 12 13 o 229.8633 4.661185 2590.205       104.8751 2553.080       147.2556 2628.418       149.3991 227.9253 6.607418 231.2666 6.606542 -3.341309      9.343681 
1 1 1 -10 12 14 o 53.42836 3.432800 140.4142       17.85758 132.2976       23.54953 151.3963       27.39281 51.73453 4.701762 55.32631 5.116162 -3.591778      6.948502 
1 1 1 -10 12 15 o 213.7979 4.420102 2240.750       92.50004 2051.550       124.0837 2477.405       138.7753 204.3166 6.211689 224.5249 6.320826 -20.20834      8.862163 
1 1 1 -10 12 16 o 193.7710 4.109253 1840.382       77.93957 1727.804       106.2745 1971.398       114.6475 187.5226 5.796835 200.3101 5.853583 -12.78741      8.238188 
1 1 1 -10 12 17 o 161.6837 3.665279 1281.045       58.00689 1217.584       79.77620 1352.236       84.49532 157.4429 5.183661 165.9264 5.208938 -8.483551      7.348699 
1 1 1 -10 12 18 o 246.3592 5.696651 2980.055       137.3708 2977.577       168.3138 2985.000       237.7370 245.9558 6.998389 245.5642 9.911032 0.3916626      12.13285 
1 1 1 -10 12 19 o 97.30486 3.513272 464.5938       33.40713 463.0998       40.25377 467.9000       59.88092 97.09004 4.245972 97.37069 6.316905 -0.2806473     7.611279 
1 1 1 -10 12 20 o 230.8744 5.443204 2617.265       123.0089 2551.140       147.8454 2766.000       221.7336 227.6625 6.641632 236.3413 9.604869 -8.678818      11.67753 
1 1 1 -10 12 21 o 279.0601 6.367558 3829.194       173.9309 3663.192       206.3895 4236.000       323.0909 272.5315 7.744715 291.8246 11.33243 -19.29315      13.72605 
1 1 1 -10 12 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 12 23 o 214.9380 6.260144 2274.424       131.5651 2095.000       173.9909 2514.000       201.0515 205.7196 8.659986 225.2456 9.137918 -19.52605      12.58955 
1 1 1 -10 12 24 o 242.3881 5.671046 2888.489       134.5491 2817.457       162.0723 3046.000       241.3451 239.0229 6.934616 247.5437 9.980946 -8.520752      12.15353 
1 1 1 -10 12 25 o 75.24847 3.649787 278.3251       26.80243 241.0174       30.74344 396.5000       54.71621 69.92434 4.515923 89.52731 6.283782 -19.60297      7.738183 
1 1 1 -10 12 26 o 291.2423 6.627872 4181.907       188.9447 4069.093       227.0472 4436.000       340.7469 286.6597 8.099884 297.4360 11.72692 -10.77631      14.25233 
1 1 1 -10 12 27 o 167.7432 3.773443 1380.741       61.95681 1362.280       86.78383 1399.931       88.48113 166.3147 5.337830 168.5936 5.368554 -2.278870      7.570588 
1 1 1 -10 12 28 o 163.0815 4.408628 1307.857       70.30978 1182.000       120.1317 1373.430       86.71265 154.1833 7.987247 166.9442 5.313225 -12.76094      9.593042 
1 1 1 -10 12 29 o 135.7784 3.430039 905.4067       45.54998 874.5748       63.11361 938.9247       65.80548 133.2141 4.848325 138.0282 4.878332 -4.814148      6.877818 
1 1 1 -10 12 30 o 121.3250 3.287457 723.0814       39.00462 703.6661       53.87618 744.4655       56.54206 119.4684 4.615888 122.8697 4.710049 -3.401314      6.594769 
1 1 1 -10 12 31 o 73.78573 3.272089 267.8932       23.57340 282.9604       31.89861 249.7629       34.99125 75.68786 4.323643 70.96728 5.070680 4.720581       6.663759 
1 1 1 -10 12 32 f 86.09226 3.228089 364.6697       27.15476 383.2393       37.60293 344.4321       39.25561 88.06872 4.375786 83.39074 4.829922 4.677979       6.517335 
1 1 1 -10 12 33 o 42.13662 4.590648 88.68735       18.62810 95.62529       24.06227 78.30959       29.42884 43.52564 5.791471 38.79840 8.014507 4.727245       9.888046 
1 1 1 -10 12 34 o 115.7652 3.300416 659.8745       37.36023 628.8959       50.90662 696.0370       55.00131 112.6843 4.625182 118.5181 4.750761 -5.833832      6.630387 
1 1 1 -10 12 35 f 14.33474 6.306188 -4.158796      17.12834 17.53545       21.49499 -41.89665      28.35003 20.98717 7.817835 14.21936 6.851875 6.767815       10.39551 
1 1 1 -10 12 36 o 110.8752 3.342842 606.3711       36.23767 569.3218       49.09014 650.7343       53.71751 107.0243 4.697478 114.3929 4.808173 -7.368568      6.721966 
1 1 1 -10 12 37 o 113.5811 3.880758 638.5369       43.08148 608.9304       51.28706 709.5000       79.40176 110.6051 4.748309 118.3374 6.884643 -7.732246      8.363297 
1 1 1 -10 12 38 o 82.55185 3.487931 337.1182       28.12038 348.4496       38.75593 324.5205       40.86422 83.55109 4.758601 80.46293 5.216610 3.088158       7.060971 
1 1 1 -10 12 39 o 61.28536 4.397351 187.5537       26.20341 209.8000       38.75294 168.8157       35.56624 64.21169 6.244502 57.47174 6.432553 6.739944       8.965017 
1 1 1 -10 12 40 o 47.49271 6.266405 115.8794       28.42065 136.8000       35.79779 80.21000       46.74296 51.24222 7.347015 37.92857 11.55208 13.31365       13.69048 
1 1 1 -10 12 41 o 44.36119 5.314768 100.1308       22.61894 87.66634       30.35991 115.6805       33.90967 40.55107 7.933031 46.84538 7.659677 -6.294312      11.02740 
1 1 1 -10 12 42 o 28.28374 7.473620 42.94623       20.99808 40.81497       28.06751 45.65538       31.64482 27.81566 9.019958 29.29139 9.583032 -1.475725      13.16032 
1 1 1 -10 12 43 o 22.46144 7.669890 25.08816       20.24034 38.97840       27.66482 9.088986       29.69079 27.15471 8.964111 20.88975 8.718884 6.264956       12.50497 
1 1 1 -10 12 44 o 38.49358 5.969139 77.53749       21.76305 84.69083       29.88939 69.46584       31.75001 39.32518 8.036657 35.07767 9.152232 4.247509       12.17995 
1 1 1 -10 12 45 o 86.73980 3.673572 376.0656       31.11922 376.3271       43.37471 375.7881       44.67242 85.89211 5.183259 85.71677 5.351052 0.1753387      7.449828 
1 1 1 -10 12 46 o 37.96447 8.010324 79.78838       28.82958 53.34000       55.40865 89.60647       33.75915 31.67577 12.36489 39.79787 8.890632 -8.122101      15.22937 
1 1 1 -10 12 47 o 19.13549 7.611296 12.78654       21.34814 -32.18002      29.41806 62.80904       31.02787 15.07769 7.188636 33.02277 9.238478 -17.94508      11.70581 
1 1 1 -10 12 48 o 72.81316 4.624286 269.9397       32.78771 276.1000       58.69934 267.1461       39.52911 70.34827 8.710516 71.73969 5.675468 -1.391418      10.39635 
1 1 1 -10 12 49 o 57.25971 5.338057 169.9977       29.57372 216.7000       52.77063 148.6138       35.70806 61.78994 8.988406 52.37484 7.151893 9.415092       11.48656 
1 1 1 -10 12 50 o 19.80449 8.717181 0.8182821      32.77015 28.34000       45.74639 -28.19000      46.96562 26.24111 10.87656 20.09047 9.428274 6.150637       14.39416 
1 1 1 -10 12 51 o 37.65395 7.344330 79.02302       26.09630 54.34000       43.99574 92.42127       32.41422 30.13347 11.19239 39.98755 8.540992 -9.854074      14.07900 
1 1 1 -10 12 52 o 24.04934 9.209919 29.01462       30.30929 49.50000       44.40802 11.15000       41.47023 29.12388 11.14935 22.85455 9.938270 6.269331       14.93577 
1 1 1 -10 12 53 o 33.84822 8.085723 66.02360       26.42098 79.77415       33.99924 45.06000       41.97996 36.34585 9.464815 28.21605 10.83055 8.129801       14.38345 
1 1 1 -10 12 54 o 36.42114 7.672184 75.36629       26.48635 124.8055       34.88634 8.090000       40.69588 46.97985 7.864144 22.23760 9.753608 24.74224       12.52907 
1 1 1 -10 12 55 o 17.56937 7.413722 6.545369       21.83340 19.57891       32.18545 -4.565122      29.71632 22.37788 9.183703 18.00469 8.088443 4.373194       12.23778 
1 1 1 -10 12 56 f 18.26699 7.606205 9.221572       22.51831 -12.00567      32.39129 29.07654       31.32680 17.75562 8.157091 23.99945 9.317406 -6.243828      12.38354 
1 1 1 -10 12 57 o 51.45328 5.059423 138.4936       25.15201 182.2542       37.37668 102.2767       34.00284 57.72651 6.741622 41.69719 8.616196 16.02931       10.94021 
1 1 1 -10 12 58 o 26.93990 8.127837 42.72266       23.21506 51.13818       34.42640 35.70441       31.43875 28.69249 9.993966 25.19810 9.440989 3.494394       13.74815 
1 1 1 -10 12 59 o 23.48247 8.861113 30.14114       27.80288 46.61664       34.38712 -0.9611000     47.24680 27.41532 9.942185 21.79515 9.952188 5.620163       14.06745 
1 1 1 -10 13 1  o 486.9882 10.60799 11678.21       505.6590 11612.80       618.5532 11810.00       877.9604 484.6921 13.04969 486.3844 18.47478 -1.692322      22.61884 
1 1 1 -10 13 2  o 253.2225 7.129242 3149.449       176.5303 3115.000       249.4677 3184.000       249.8360 251.3699 10.15993 254.1606 10.06236 -2.790665      14.29948 
1 1 1 -10 13 3  o 428.7464 8.097697 9029.494       339.8351 9196.981       487.5619 8871.244       473.9269 431.7411 11.54756 424.0564 11.42820 7.684723       16.24653 
1 1 1 -10 13 4  o 254.9821 5.065865 3186.622       126.4357 3203.479       180.2684 3170.300       177.3806 255.3625 7.219255 254.0460 7.140334 1.316513       10.15392 
1 1 1 -10 13 5  o 67.08192 3.635652 221.0516       23.78307 192.8036       31.82126 256.8000       35.79742 62.49578 5.250381 72.20298 5.097902 -9.707199      7.318135 
1 1 1 -10 13 6  o 24.80753 7.579868 30.26197       20.10313 3.425774       23.75533 97.97000       37.73294 18.74682 7.809670 43.82966 9.093522 -25.08284      11.98679 
1 1 1 -10 13 7  o 165.6438 4.322589 1345.340       70.02517 1340.519       85.73775 1355.000       121.3586 165.2689 5.306866 165.9314 7.491302 -0.6625214     9.180546 
1 1 1 -10 13 8  o 234.4851 5.511702 2696.336       126.5048 2734.056       156.7990 2626.000       214.1137 235.9000 6.797706 230.7615 9.499581 5.138458       11.68122 
1 1 1 -10 13 9  o 83.17472 4.958004 340.3505       40.18178 330.5000       58.94780 348.9000       54.91728 81.68459 7.454680 84.03500 6.732685 -2.350410      10.04496 
1 1 1 -10 13 10 o 193.6085 4.777779 1837.566       90.54336 1785.543       109.0540 1953.000       162.4462 190.6806 5.849826 199.0865 8.354644 -8.405884      10.19905 
1 1 1 -10 13 11 o 76.11220 3.696914 284.4824       27.45990 254.6414       31.71263 373.9000       54.89556 71.93410 4.526881 87.02704 6.491067 -15.09294      7.913698 
1 1 1 -10 13 12 o 200.7219 4.886713 1975.537       96.01028 1886.120       114.0537 2193.000       177.8656 195.9477 5.953425 210.8861 8.634899 -14.93840      10.48831 
1 1 1 -10 13 13 o 101.5073 3.058468 505.1257       30.35371 473.1650       41.86842 540.5349       44.06934 98.15183 4.368896 104.9252 4.300034 -6.773338      6.130052 
1 1 1 -10 13 14 o 354.6181 6.798693 6179.210       235.9894 6035.433       329.0159 6331.551       338.6725 349.6407 9.622809 358.1059 9.670746 -8.465271      13.64265 
1 1 1 -10 13 15 o 72.49342 3.103937 257.9007       21.97411 236.3797       29.66515 284.0656       32.70960 69.29681 4.396142 75.98936 4.416640 -6.692558      6.231595 
1 1 1 -10 13 16 o 72.92467 3.156911 261.0096       22.48086 251.0140       30.03795 273.7378       33.89602 71.42178 4.316837 74.56351 4.667670 -3.141739      6.357848 
1 1 1 -10 13 17 o 86.67667 3.500775 368.7487       29.64000 362.3103       36.08582 382.1000       51.96459 85.85135 4.307975 87.98611 6.070967 -2.134758      7.444144 
1 1 1 -10 13 18 o 133.2596 3.845259 871.2041       50.10441 811.0090       59.80123 1013.000       91.78281 128.4849 4.763260 143.3914 6.556665 -14.90646      8.104228 
1 1 1 -10 13 19 o 183.5329 3.988387 1651.488       71.65019 1526.758       96.69473 1803.365       106.6998 176.2245 5.612865 191.5259 5.697876 -15.30144      7.998128 
1 1 1 -10 13 20 o 163.3415 3.734292 1307.906       59.70505 1229.866       81.86527 1396.579       87.26450 158.1759 5.294999 168.5670 5.295389 -10.39111      7.488535 
1 1 1 -10 13 21 f 45.21556 4.174319 101.1189       18.26634 68.56000       22.59615 162.5204       31.03053 36.79505 6.512174 57.24490 5.609862 -20.44985      8.595287 
1 1 1 -10 13 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 13 23 o 254.6733 7.332304 3200.936       182.5903 3100.000       255.0819 3307.000       261.4804 249.5453 10.46621 257.7895 10.38383 -8.244202      14.74331 
1 1 1 -10 13 24 o 111.9848 5.045652 617.3301       55.16526 575.0000       81.76340 652.7000       74.73977 107.6248 7.814645 114.9105 6.673573 -7.285774      10.27644 
1 1 1 -10 13 25 o 180.6200 4.587121 1603.234       81.03275 1510.866       95.54049 1840.000       152.9627 175.1623 5.579495 192.6785 8.128736 -17.51614      9.859366 
1 1 1 -10 13 26 o 270.7789 7.717971 3630.372       204.3530 3549.000       286.2050 3715.000       291.8760 266.1400 11.01032 272.3243 10.97225 -6.184357      15.54405 
1 1 1 -10 13 27 o 120.0244 3.755386 707.7629       44.06520 653.3307       51.44112 857.8000       85.40470 115.2034 4.570900 131.6323 6.650010 -16.42886      8.069434 
1 1 1 -10 13 28 o 194.7013 4.820425 1865.380       91.86720 1874.094       112.5661 1848.000       158.9714 194.8037 5.910262 192.5390 8.455799 2.264709       10.31658 
1 1 1 -10 13 29 o 57.40269 3.509557 162.3972       19.62502 171.1832       26.15094 151.0697       29.69323 58.80093 4.579657 55.05248 5.587605 3.748444       7.224583 
1 1 1 -10 13 30 o 87.81595 3.645550 379.6166       31.26779 346.3524       36.80478 465.9000       59.27597 83.74218 4.506678 96.77969 6.291417 -13.03751      7.738997 
1 1 1 -10 13 31 o 68.01096 3.398019 227.8774       22.54930 234.1159       30.35850 220.1999       33.67832 68.76350 4.535740 66.55457 5.211237 2.208931       6.908686 
1 1 1 -10 13 32 o 134.7888 3.418504 894.0137       45.06565 923.6425       63.90004 864.6937       63.56617 136.6527 4.784616 132.1741 4.921900 4.478653       6.864230 
1 1 1 -10 13 33 o 53.68517 3.813092 142.7141       19.90682 170.7518       26.28389 104.9942       30.48623 58.59837 4.619795 45.27798 7.113015 13.32038       8.481597 
1 1 1 -10 13 34 o 73.97176 3.391806 269.9902       24.49322 258.2048       32.46795 285.5549       37.31241 72.08274 4.626111 75.70839 5.064163 -3.625648      6.859056 
1 1 1 -10 13 35 o 10.55529 5.082083 -23.15415      15.52033 -24.94067      18.59912 -19.05751      28.16450 11.85345 5.669055 16.53697 7.600551 -4.683522      9.481908 
1 1 1 -10 13 36 o 86.38876 3.795195 369.4074       32.01374 358.9588       37.94810 395.2000       59.62228 84.93742 4.581367 88.21482 6.961335 -3.277397      8.333613 
1 1 1 -10 13 37 o 136.1745 3.547363 916.3913       47.24303 950.2549       67.16886 883.2385       66.46024 138.0269 4.979782 132.9958 5.114792 5.031113       7.138580 
1 1 1 -10 13 38 o 48.30183 4.791933 117.3029       22.35748 100.1000       30.59331 137.0210       32.75362 43.77078 7.404386 51.65553 6.630661 -7.884750      9.939346 
1 1 1 -10 13 39 o 55.45939 4.183796 153.5436       22.54433 131.4547       29.71067 183.5231       34.61283 50.71665 6.107680 60.08711 5.963657 -9.370457      8.536332 
1 1 1 -10 13 40 o 41.91436 5.307348 89.45779       21.28701 64.96758       28.15638 122.1314       32.52213 34.69677 8.384665 48.43280 7.068389 -13.73603      10.96653 
1 1 1 -10 13 41 o 43.96349 5.904873 99.43440       24.76831 96.49477       29.08085 107.2000       47.26588 42.81363 7.194239 43.40968 11.08606 -0.5960464     13.21582 
1 1 1 -10 13 42 f 54.43864 4.415373 149.1490       23.32599 138.7338       32.10591 160.7930       33.94688 51.67728 6.489922 55.75704 6.332065 -4.079754      9.067201 
1 1 1 -10 13 43 o 58.86673 4.202698 174.2480       24.05681 208.8492       33.55153 137.6380       34.51172 63.93367 5.412178 51.01781 7.103336 12.91586       8.930232 
1 1 1 -10 13 44 o 45.72523 5.189767 107.4172       22.81753 114.5804       30.64927 98.51069       34.17572 46.41283 6.960866 42.13061 8.579166 4.282227       11.04788 
1 1 1 -10 13 45 o 44.56372 7.061177 106.4225       29.77539 198.7000       59.01886 74.91624       34.48589 58.33741 10.73095 36.03064 9.604176 22.30677       14.40116 
1 1 1 -10 13 46 f 85.59601 3.660413 366.8419       30.59750 385.6338       42.78791 347.1760       43.77166 86.89050 5.052660 82.13140 5.476026 4.759102       7.450922 
1 1 1 -10 13 47 o 45.86825 5.222195 108.8055       23.02909 94.47952       31.97186 124.2522       33.19889 41.14071 8.227106 47.90387 7.311516 -6.763153      11.00652 
1 1 1 -10 13 48 o 51.28689 4.857808 135.1511       24.09600 175.5347       33.75719 93.20066       34.40585 57.78280 6.058426 40.25848 8.961646 17.52433       10.81738 
1 1 1 -10 13 49 o 29.00683 8.676524 48.27624       26.53942 34.67454       32.04476 77.98000       47.35505 25.77762 9.556249 35.11032 11.73236 -9.332705      15.13176 
1 1 1 -10 13 50 o 21.02652 7.860386 20.89791       21.76796 21.28743       31.70686 20.55063       29.93831 22.87220 9.214993 22.41841 8.981211 0.4537964      12.86772 
1 1 1 -10 13 51 o 14.60162 7.020719 -35.10818      29.38581 0.000000       0.000000 -35.10818      29.38581 ?        ?        14.60162 7.020719 ?              ?        
1 1 1 -10 13 52 o 21.17099 8.402576 18.73508       25.96324 26.41000       49.65155 15.84672       30.45939 26.07879 11.09953 21.48238 8.886947 4.596416       14.21891 
1 1 1 -10 13 53 o 37.48929 6.680593 77.21607       23.61577 94.73987       35.63599 63.49402       31.53438 39.70499 9.328629 32.34722 9.401462 7.357765       13.24428 
1 1 1 -10 13 54 o 27.14299 8.649266 43.00708       25.88630 35.11752       33.54625 54.62000       40.69945 25.54325 9.711717 29.79970 10.81494 -4.256449      14.53549 
1 1 1 -10 13 55 o 27.34794 8.570314 43.75870       25.51252 50.69367       32.64103 32.87000       40.90060 28.96277 9.741358 25.82334 10.44390 3.139433       14.28178 
1 1 1 -10 13 56 o 18.55180 7.898674 7.211242       25.15910 -17.07495      32.07314 46.06000       40.56489 17.07217 7.938766 27.96692 10.66838 -10.89475      13.29806 
1 1 1 -10 13 57 o 15.84852 6.997212 -1.225255      21.26609 13.82980       33.15635 -11.74701      27.71849 21.40341 9.088479 16.37731 7.531908 5.026094       11.80382 
1 1 1 -10 13 58 o 32.77045 8.356399 64.25708       26.88351 82.44479       35.58976 40.09000       41.02497 36.00972 9.825727 26.56518 10.55619 9.444548       14.42145 
1 1 1 -10 13 59 o 26.77595 8.599937 43.49407       25.55371 72.16000       51.29206 34.03011       29.47160 31.68092 12.01730 24.41686 9.142384 7.264057       15.09963 
1 1 1 -10 14 1  o 250.9747 5.014390 3087.699       123.1840 3109.576       176.6351 3066.985       171.8791 251.5483 7.181150 249.8389 7.035412 1.709427       10.05315 
1 1 1 -10 14 2  o 404.3408 7.669981 8031.849       303.5624 8356.292       442.0180 7742.228       417.6241 411.4673 10.98467 396.1110 10.78118 15.35626       15.39146 
1 1 1 -10 14 3  o 447.5754 8.447531 9849.803       370.0856 10102.77       533.3761 9614.949       513.9258 452.0414 12.06528 441.0402 11.91555 11.00125       16.95734 
1 1 1 -10 14 4  o 190.9316 4.066947 1786.115       76.00683 1639.037       103.7546 1956.460       111.6600 182.7055 5.809004 199.6404 5.719935 -16.93491      8.152434 
1 1 1 -10 14 5  o 130.4668 3.282321 834.1979       41.88345 795.5530       59.69549 871.6660       58.77943 127.3062 4.799149 133.2872 4.511876 -5.981087      6.587021 
1 1 1 -10 14 6  o 100.0362 3.711883 490.9152       36.28307 471.5039       44.27629 530.6000       63.30769 97.97065 4.630198 103.7929 6.260459 -5.822289      7.786661 
1 1 1 -10 14 7  o 76.77460 3.704414 289.4339       27.75619 232.9000       55.50884 308.2818       32.05077 68.28981 8.486822 79.20872 4.148353 -10.91891      9.446427 
1 1 1 -10 14 8  o 71.00140 4.589046 248.1397       31.72219 255.2000       41.31561 238.0000       49.51272 71.87433 5.925231 69.19982 7.425824 2.674507       9.500064 
1 1 1 -10 14 9  o 51.85325 4.513896 132.7931       22.68237 118.0672       26.60317 172.0000       43.40847 48.72761 5.684299 58.64451 7.751720 -9.916901      9.612514 
1 1 1 -10 14 10 o 72.92745 3.847728 261.3215       27.36920 243.1276       32.32401 307.4000       51.44125 70.26127 4.727574 78.82609 6.731431 -8.564819      8.225698 
1 1 1 -10 14 11 o 256.5417 5.937345 3230.447       149.0928 3271.412       184.3537 3153.000       253.4827 257.8667 7.311206 252.5096 10.27715 5.357132       12.61244 
1 1 1 -10 14 12 f 54.96278 4.333656 149.0023       23.12617 156.9643       26.98810 127.0000       44.86354 56.35782 4.942261 49.93098 9.526959 6.426842       10.73261 
1 1 1 -10 14 13 o 104.8582 3.112984 539.0707       31.91570 512.6653       44.76413 566.3711       45.51653 102.1563 4.487660 107.3961 4.338798 -5.239822      6.242136 
1 1 1 -10 14 14 o 145.1187 3.911658 1032.939       55.51293 1062.000       94.80424 1017.776       68.48089 146.8523 6.612358 143.9622 4.866757 2.890121       8.210274 
1 1 1 -10 14 15 o 98.63227 3.086487 477.0362       29.76150 423.0625       40.51217 540.3158       43.86582 92.77460 4.474377 104.8888 4.281589 -12.11416      6.192903 
1 1 1 -10 14 16 o 136.2768 3.845186 911.0407       51.24022 880.5024       62.45884 973.9000       89.61008 133.8857 4.773632 140.6010 6.529048 -6.715210      8.088017 
1 1 1 -10 14 17 o 197.8338 4.822180 1920.350       93.37922 1883.215       113.7720 1997.000       163.4571 195.6934 5.946441 201.0714 8.323143 -5.377975      10.22912 
1 1 1 -10 14 18 o 140.3872 3.464262 965.8835       47.60412 933.1331       66.24232 1000.861       68.45709 137.8041 4.918857 142.7249 4.907486 -4.920761      6.948279 
1 1 1 -10 14 19 o 88.84661 4.077599 387.9000       35.36650 468.6000       73.29703 363.4101       40.37776 97.20064 7.768517 85.91873 4.820513 11.28191       9.142604 
1 1 1 -10 14 20 o 50.82267 4.408552 127.6627       21.71435 110.3000       25.34349 175.6000       42.11097 47.05223 5.613334 59.24493 7.424267 -12.19270      9.307484 
1 1 1 -10 14 21 o 140.5413 3.465906 968.2156       47.67898 873.5639       64.29669 1083.850       71.06703 133.2962 4.936460 148.5003 4.895856 -15.20413      6.952556 
1 1 1 -10 14 22 o 189.5145 4.807908 1764.680       89.11566 1744.000       158.3282 1774.270       107.8156 187.5814 8.646338 189.8586 5.808394 -2.277237      10.41617 
1 1 1 -10 14 23 f 377.0331 7.231062 7012.048       266.8626 6990.869       376.5732 7033.415       378.2337 374.8399 10.27323 375.9712 10.28745 -1.131256      14.53860 
1 1 1 -10 14 24 o 130.5181 4.116130 836.8835       52.51978 748.9000       93.55360 877.3723       63.46391 122.8380 7.821374 133.5424 4.863258 -10.70438      9.210058 
1 1 1 -10 14 25 o 122.8395 4.522781 742.2503       54.28851 742.2503       54.28851 0.000000       0.000000 122.8395 4.522781 ?        ?        ?              ?        
1 1 1 -10 14 26 o 274.7261 6.306185 3723.623       169.5793 3623.848       203.6863 3949.000       306.1288 270.3828 7.704057 280.3197 11.17934 -9.936890      13.57683 
1 1 1 -10 14 27 o 163.5289 4.325673 1315.310       69.17877 1327.896       84.64842 1290.000       120.0425 164.1116 5.276405 161.1026 7.634195 3.008972       9.280161 
1 1 1 -10 14 28 o 116.0265 3.713265 661.9259       42.11721 607.4587       49.23571 810.5000       81.31757 111.0156 4.540540 127.8110 6.521507 -16.79539      7.946481 
1 1 1 -10 14 29 f 129.3342 3.860741 823.0621       48.82066 788.6152       58.19529 904.9000       89.69952 126.4302 4.710760 134.8687 6.816845 -8.438469      8.286172 
1 1 1 -10 14 30 o 78.63792 3.651785 304.6994       28.03213 298.4435       33.09028 320.6000       52.75458 77.71182 4.367758 80.02106 6.799515 -2.309235      8.081505 
1 1 1 -10 14 31 o 93.19220 3.203772 427.2913       29.18106 429.3829       40.23656 424.9705       42.38362 93.19934 4.423264 92.66134 4.688206 0.5380020      6.445505 
1 1 1 -10 14 32 o 68.51445 3.346460 231.4588       22.37476 242.4686       29.75522 217.1328       33.94188 69.94971 4.367607 65.98145 5.299969 3.968254       6.867726 
1 1 1 -10 14 33 o 69.10097 3.383615 235.6142       22.81649 224.7505       29.86603 250.8424       35.36004 67.25880 4.563539 70.93842 5.127022 -3.679619      6.863836 
1 1 1 -10 14 34 o 61.22605 4.052542 186.0174       24.15011 190.8308       28.12310 172.5000       47.12856 61.87715 4.677950 57.57386 8.628272 4.303291       9.814799 
1 1 1 -10 14 35 o 29.49769 6.703841 45.46487       18.91531 50.75929       21.33441 26.01000       40.89648 31.10771 7.155736 27.04914 10.60413 4.058577       12.79265 
1 1 1 -10 14 36 o 55.13768 3.959264 151.1710       21.22601 178.4743       27.61057 111.7186       33.18986 59.73458 4.761572 46.32470 7.581612 13.40988       8.952844 
1 1 1 -10 14 37 o 85.85583 3.732671 365.2447       31.29369 390.2000       46.89066 345.2039       42.02069 88.13860 5.462018 82.98313 5.199423 5.155472       7.541064 
1 1 1 -10 14 38 o 55.93134 3.959176 155.7940       21.53526 155.2457       28.02377 156.5847       33.65450 55.48226 5.221586 55.34874 6.325417 0.1335182      8.202186 
1 1 1 -10 14 39 f 55.20673 4.146740 152.2469       22.24434 145.0018       29.41302 161.9278       33.99956 53.38498 5.717740 56.23227 6.284381 -2.847290      8.496234 
1 1 1 -10 14 40 o 39.97746 5.342335 81.63254       20.38230 82.42473       26.43121 80.47033       32.01443 39.58549 7.081410 38.50945 8.699202 1.076035       11.21706 
1 1 1 -10 14 41 o 64.17359 3.847839 205.4792       24.05915 207.8550       32.60554 202.6395       35.64709 64.02592 5.248742 62.94909 5.852364 1.076828       7.861263 
1 1 1 -10 14 42 o 48.24969 5.219346 118.9448       24.25804 132.4643       29.64734 91.56000       42.19483 50.56771 6.113684 39.85340 10.62370 10.71431       12.25725 
1 1 1 -10 14 43 o 60.39302 4.041993 183.2970       23.75642 213.3231       33.39566 152.5369       33.80132 64.56864 5.331462 53.93408 6.535914 10.63456       8.434611 
1 1 1 -10 14 44 o 18.01889 7.807297 0.8133780      25.40370 69.70000       54.09159 -18.68008      28.77443 34.47024 12.47385 16.36348 7.578209 18.10676       14.59542 
1 1 1 -10 14 45 o 20.82754 7.613085 20.24006       20.21924 21.66455       27.25734 18.49724       30.14954 22.52835 8.706186 22.44405 9.005523 0.8429909E-01  12.52586 
1 1 1 -10 14 46 o 25.54958 7.751958 35.77179       21.07574 29.09159       29.22015 43.01555       30.42772 24.44986 9.113611 27.87412 9.405387 -3.424265      13.09653 
1 1 1 -10 14 47 o 31.57207 7.070315 54.72853       21.30541 84.63599       30.06296 24.55120       30.19829 38.85130 8.165123 23.52242 9.143624 15.32888       12.25867 
1 1 1 -10 14 48 o 32.37668 7.799638 58.95019       24.42319 61.21522       30.49712 54.90000       40.78116 32.36438 9.195926 30.60544 10.85961 1.758936       14.23011 
1 1 1 -10 14 49 o 23.49131 7.818159 29.78526       21.03215 50.07830       31.01781 12.51429       28.61515 29.30960 9.480393 20.68007 8.589580 8.629526       12.79292 
1 1 1 -10 14 50 o 22.83164 8.184762 27.18041       23.22389 22.51000       40.04676 29.54699       28.50697 24.32755 10.13767 24.02258 8.992183 0.3049793      13.55108 
1 1 1 -10 14 51 o 19.39310 7.651976 15.08962       21.41555 41.52544       31.93592 -6.511392      28.86822 26.94561 9.604928 17.55665 7.922188 9.388960       12.45053 
1 1 1 -10 14 52 o 24.89527 7.921029 34.90133       21.71743 46.28610       32.79638 26.01061       28.98223 28.07451 9.755957 23.22731 8.977129 4.847198       13.25774 
1 1 1 -10 14 53 o 23.77001 8.378046 30.77044       24.23962 -42.91000      48.01628 55.96923       28.08033 18.89033 9.054364 30.66031 8.859987 -11.76999      12.66811 
1 1 1 -10 14 54 o 35.61158 7.608775 72.16460       25.71710 69.80000       47.87093 73.12389       30.49059 32.57896 11.74200 35.00269 8.885270 -2.423733      14.72490 
1 1 1 -10 14 55 o 14.77864 6.853913 -14.25968      23.66227 4.097000       43.28487 -22.08349      28.25845 22.11168 9.859960 15.40828 7.256661 6.703403       12.24246 
1 1 1 -10 14 56 o 19.75784 7.988577 14.84743       23.92253 14.18000       44.49733 15.11877       28.37149 23.46054 10.24665 20.74059 8.578223 2.719944       13.36337 
1 1 1 -10 14 57 o 27.76320 9.010069 46.54131       28.00283 68.98042       36.00542 12.19000       44.54887 32.76522 10.16802 23.05060 10.15421 9.714615       14.36999 
1 1 1 -10 14 58 o 16.61043 7.528023 -6.010415      26.40593 14.25760       35.33667 -31.64000      39.73661 21.62107 9.286704 17.48686 8.342128 4.134207       12.48335 
1 1 1 -10 14 59 o 38.61171 7.869363 87.86550       28.73135 68.15392       37.55103 115.7000       44.62238 31.80304 10.44105 41.23666 10.89405 -9.433620      15.08959 
1 1 1 -10 15 1  o 70.66113 4.201459 245.5456       28.92822 229.4000       46.69749 255.6000       36.85070 67.96741 7.124957 72.00225 5.265093 -4.034836      8.859245 
1 1 1 -10 15 2  o 180.9876 5.512056 1608.265       97.53535 1599.000       140.0134 1617.000       135.9481 180.1542 7.959621 181.2082 7.682020 -1.054001      11.06205 
1 1 1 -10 15 3  o 160.9235 4.191551 1269.939       65.96757 1346.000       122.4051 1238.805       78.31356 165.3085 7.585024 158.8658 5.042556 6.442734       9.108236 
1 1 1 -10 15 4  o 127.5150 3.773225 797.3513       47.04380 757.9295       58.52966 869.3000       79.07134 124.2413 4.822021 132.9477 6.092392 -8.706406      7.769757 
1 1 1 -10 15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 15 6  o 66.37693 3.250976 216.3270       21.05785 178.2473       32.75285 243.1591       27.49341 60.01142 5.642011 70.32816 4.010489 -10.31674      6.922161 
1 1 1 -10 15 7  o 317.7427 6.152508 4956.242       191.3524 4817.688       266.7911 5103.030       274.6044 312.6692 8.725793 321.8022 8.725962 -9.132996      12.34025 
1 1 1 -10 15 8  o 108.7889 3.109811 580.1594       33.08103 555.5546       47.76200 602.8464       45.86303 106.3511 4.598988 110.8223 4.235741 -4.471283      6.252375 
1 1 1 -10 15 9  f 112.5709 3.764113 621.6346       41.41748 622.0474       50.63197 620.8000       72.00497 112.5435 4.605922 112.2281 6.583646 0.3154831      8.034856 
1 1 1 -10 15 10 o 94.46957 3.738091 437.9977       34.49768 430.8818       41.75534 453.3000       61.23153 93.63278 4.569740 95.83547 6.567126 -2.202690      8.000605 
1 1 1 -10 15 11 o 98.80033 3.721468 479.0281       35.92543 485.7821       43.67641 464.9000       63.16975 99.43425 4.499158 97.03548 6.691755 2.398766       8.063622 
1 1 1 -10 15 12 f 211.5992 5.114268 2196.844       105.9263 2198.271       129.8047 2194.000       183.2665 211.4408 6.278799 210.7403 8.904493 0.7005463      10.89556 
1 1 1 -10 15 13 o 151.6158 4.166433 1127.830       61.77364 1127.748       75.36961 1128.000       107.8219 151.5178 5.089124 151.2393 7.305034 0.2785187      8.902961 
1 1 1 -10 15 14 o 185.8478 4.007234 1693.248       72.89679 1786.678       106.6673 1611.373       99.85304 190.6554 5.722262 181.0630 5.640991 9.592331       8.035239 
1 1 1 -10 15 15 o 58.75576 3.815493 169.9332       21.82490 159.8447       27.62116 186.7000       35.60857 56.85312 5.014777 61.35448 6.006134 -4.501354      7.824426 
1 1 1 -10 15 16 o 81.90296 3.536268 329.3734       28.28306 312.2644       35.28945 360.1000       47.29221 79.65646 4.544894 85.43577 5.687529 -5.779305      7.280388 
1 1 1 -10 15 17 o 246.4607 4.967422 2981.380       119.8354 2898.898       167.1420 3068.629       171.9039 242.5757 7.046813 249.5825 7.043683 -7.006866      9.963486 
1 1 1 -10 15 18 o 195.1697 5.842029 1873.578       111.4790 1787.000       150.1260 1980.000       166.4440 190.1668 8.083635 200.0864 8.518031 -9.919525      11.74317 
1 1 1 -10 15 19 o 201.0422 4.866796 1984.073       95.77155 2034.000       165.0972 1958.751       117.5759 202.8015 8.334680 199.5055 6.027754 3.295959       10.28595 
1 1 1 -10 15 20 o 195.5628 4.185420 1876.182       80.11825 1784.916       110.4914 1977.373       116.3436 190.4288 5.934990 200.4416 5.936459 -10.01273      8.394382 
1 1 1 -10 15 21 f 110.1678 3.701426 595.8517       39.85776 615.4376       49.16530 558.3000       68.07736 111.8839 4.498538 106.2723 6.576726 5.611610       7.968071 
1 1 1 -10 15 22 o 107.9687 3.700607 572.3799       39.05120 584.6050       47.81812 547.9000       67.66599 109.0340 4.490082 105.2546 6.601089 3.779488       7.983434 
1 1 1 -10 15 23 o 152.6239 3.636520 1142.580       54.32688 1103.762       75.49516 1184.270       78.23785 149.7533 5.158046 155.1245 5.159826 -5.371201      7.295837 
1 1 1 -10 15 24 o 175.7220 4.589263 1518.100       78.86848 1471.000       137.8505 1541.020       96.16199 172.1166 8.206015 176.8574 5.561785 -4.740845      9.913230 
1 1 1 -10 15 25 o 240.9320 4.890224 2854.804       115.3266 2810.644       161.3766 2900.899       164.8724 238.3841 6.923369 242.1700 6.962618 -3.785934      9.818914 
1 1 1 -10 15 26 o 219.6089 5.312062 2375.642       114.1877 2225.000       193.4639 2456.177       141.4550 210.8963 9.395421 222.8551 6.491611 -11.95877      11.41994 
1 1 1 -10 15 27 o 124.3053 3.315706 758.9543       40.30730 766.7347       56.31114 750.7793       57.72126 124.7315 4.620225 123.3934 4.788092 1.338066       6.653744 
1 1 1 -10 15 28 o 185.4281 5.922564 1702.050       107.3579 1507.000       144.9599 1939.000       159.7728 173.3916 8.567633 196.8639 8.310138 -23.47235      11.93577 
1 1 1 -10 15 29 o 161.1190 4.314862 1279.511       67.98745 1320.359       84.39600 1204.000       114.7484 163.3859 5.284120 155.1486 7.578943 8.237274       9.239172 
1 1 1 -10 15 30 o 43.81213 4.487319 95.65403       18.97207 88.61022       21.27564 123.0000       41.92041 41.99905 5.292593 48.61177 9.145606 -6.612720      10.56663 
1 1 1 -10 15 31 o 53.91995 4.055579 144.1277       21.24780 144.5455       24.15791 142.7000       44.65430 53.89612 4.623905 52.38288 9.035296 1.513237       10.14973 
1 1 1 -10 15 32 o 25.96928 6.402492 34.99009       16.16999 33.83125       17.70935 40.80000       39.65286 25.55932 6.913183 29.87577 10.69666 -4.316450      12.73619 
1 1 1 -10 15 33 o 32.89466 6.205445 55.78506       19.24799 55.78506       19.24799 0.000000       0.000000 32.89466 6.205445 ?        ?        ?              ?        
1 1 1 -10 15 34 o 62.13161 3.962718 191.5567       23.97411 212.7239       28.19451 136.3000       45.55389 65.37856 4.431979 50.62961 9.542002 14.74895       10.52104 
1 1 1 -10 15 35 o 29.61827 6.050794 45.51669       16.94858 42.64765       20.44053 51.82899       30.31927 28.47012 7.300742 31.30249 9.251934 -2.832378      11.78555 
1 1 1 -10 15 36 o 17.07324 6.717354 8.984009       16.46172 9.702000       19.72599 7.336904       29.87721 18.36418 7.312509 20.99337 8.752952 -2.629190      11.40557 
1 1 1 -10 15 37 f 27.10425 6.552042 38.61493       17.18892 26.90222       20.72919 64.39432       30.75317 23.33876 7.761487 34.53182 9.006230 -11.19306      11.88919 
1 1 1 -10 15 38 o 74.89722 3.503604 278.0320       25.61425 300.5329       34.77116 251.3337       37.87567 77.52851 4.602678 70.53871 5.529805 6.989799       7.194678 
1 1 1 -10 15 39 o 80.05265 3.484821 317.7708       27.24085 338.5748       37.31740 294.0394       39.85661 82.22274 4.655769 76.31744 5.369717 5.905304       7.107042 
1 1 1 -10 15 40 o 121.3118 3.487043 729.9481       41.36335 735.0978       58.14576 724.6722       58.85391 120.9468 4.921817 120.0213 5.020775 0.9254990      7.030822 
1 1 1 -10 15 41 o 41.60459 5.137531 88.51318       20.47795 102.5826       27.56798 71.19334       30.58715 44.27804 6.558844 35.89820 8.778959 8.379841       10.95849 
1 1 1 -10 15 42 o 46.72856 4.711246 110.9976       21.25497 127.9721       29.03722 91.40407       31.19699 49.61260 6.108189 40.92313 8.075096 8.689472       10.12508 
1 1 1 -10 15 43 o 15.59283 7.432705 -34.62496      31.41599 9.521000       55.18670 -55.79000      38.21189 26.08698 11.40213 15.99486 7.766506 10.09212       13.79591 
1 1 1 -10 15 44 o 52.27392 4.547858 138.9065       23.03871 158.0586       31.90251 118.0321       33.30611 55.04897 6.018611 46.67311 7.547904 8.375858       9.653731 
1 1 1 -10 15 45 o 20.18991 7.573352 18.01175       20.24282 39.51341       27.98788 -5.574830      29.31343 26.88384 9.020144 18.15007 8.102374 8.733767       12.12483 
1 1 1 -10 15 46 o 49.13627 4.764782 123.6868       22.62935 131.6232       32.62677 116.3297       31.41318 49.54156 6.916450 46.39843 7.145779 3.143124       9.944819 
1 1 1 -10 15 47 o 26.50595 8.260764 39.23831       23.73697 26.81329       30.17456 59.41000       38.44709 23.92464 9.182537 31.60971 10.57160 -7.685066      14.00277 
1 1 1 -10 15 48 o 18.69438 7.523611 11.79188       21.11083 -9.400803      32.05339 28.02710       28.05499 18.26859 8.285298 23.80610 8.918666 -5.537512      12.17328 
1 1 1 -10 15 49 o 32.44523 7.742836 59.64928       24.24670 73.47000       43.39341 53.37538       29.23662 34.07899 11.22574 30.11993 9.128524 3.959055       14.46883 
1 1 1 -10 15 50 o 22.23852 7.905285 25.77073       21.61947 33.91932       33.16814 19.75127       28.50748 25.42973 9.659583 21.88681 8.765422 3.542927       13.04378 
1 1 1 -10 15 51 o 46.91051 5.259238 115.3613       23.73370 130.9425       36.44400 103.8866       31.27490 48.05171 8.031640 42.92131 7.728359 5.130398       11.14607 
1 1 1 -10 15 52 o 60.52583 4.870496 189.8661       28.61151 222.6000       58.31020 179.4857       32.83616 60.39948 10.22753 58.13587 5.849789 2.263607       11.78229 
1 1 1 -10 15 53 o 28.03869 7.712558 45.24139       21.82660 37.81587       33.97848 50.45793       28.47944 26.10153 9.807485 29.05383 9.047434 -2.952297      13.34327 
1 1 1 -10 15 54 o 35.49908 6.718973 69.70535       22.49199 135.9783       34.43624 20.39871       29.70300 49.37966 7.348166 22.06229 8.908272 27.31738       11.54785 
1 1 1 -10 15 55 o 40.92573 5.886457 90.10269       22.90321 121.6337       35.26520 67.10126       30.11999 45.93265 8.141698 33.27180 9.022833 12.66085       12.15314 
1 1 1 -10 15 56 o 21.56456 8.424575 21.68295       25.73792 52.23797       34.05292 -19.03000      39.30786 29.07805 9.948008 18.69621 8.725561 10.38185       13.23247 
1 1 1 -10 15 57 o 26.93998 8.322932 43.18348       24.15499 123.7000       47.70156 15.41801       28.01190 42.85519 11.23610 20.55307 8.514298 22.30212       14.09763 
1 1 1 -10 15 58 o 31.65454 9.040319 62.72087       29.39931 0.000000       0.000000 62.72087       29.39931 ?        ?        31.65454 9.040319 ?              ?        
1 1 1 -10 16 1  o 245.3521 6.991389 2960.448       167.7321 3212.000       252.2259 2761.000       224.5901 254.9061 10.12905 236.3977 9.726799 18.50838       14.04309 
1 1 1 -10 16 2  o 151.0312 3.529606 1117.530       52.17941 1091.083       75.23629 1142.041       72.42939 149.0566 5.164479 152.5312 4.857401 -3.474594      7.089865 
1 1 1 -10 16 3  o 330.4937 7.380554 5370.067       238.7583 5396.418       293.9737 5319.000       409.2439 330.7942 9.087743 327.1895 12.80312 3.604645       15.70054 
1 1 1 -10 16 4  o 190.9397 4.698301 1787.637       87.80984 1657.000       149.9198 1855.856       108.3378 183.2703 8.379368 194.3805 5.700204 -11.11018      10.13440 
1 1 1 -10 16 5  o 164.6519 3.703873 1328.374       59.69378 1322.493       86.02923 1333.835       82.89735 164.0943 5.363274 164.8204 5.144649 -0.7260132     7.431832 
1 1 1 -10 16 6  o 132.0115 3.342083 854.2809       43.15051 825.5886       62.53309 880.3616       59.61922 129.6492 4.936600 133.9214 4.554730 -4.272202      6.716814 
1 1 1 -10 16 7  o 123.1714 3.642825 744.0317       43.87096 767.2000       78.07408 733.3408       53.03579 124.8105 6.412210 122.2211 4.440576 2.589447       7.799689 
1 1 1 -10 16 8  f 107.1987 3.125775 563.3987       32.76342 554.2608       48.10557 571.3046       44.74562 106.2126 4.638330 107.8696 4.246140 -1.657082      6.288387 
1 1 1 -10 16 9  o 204.2385 4.273628 2045.089       85.43592 2001.967       120.6900 2088.404       120.9597 201.7970 6.117190 206.1284 6.001496 -4.331360      8.569596 
1 1 1 -10 16 10 o 191.6432 4.766473 1801.512       89.41222 1800.260       109.6182 1804.000       154.5540 191.3786 5.858613 191.1687 8.279193 0.2098083      10.14240 
1 1 1 -10 16 11 o 54.50118 4.547368 146.6862       24.03809 144.3436       28.40278 152.6000       45.12834 53.95399 5.452887 54.97742 8.673279 -1.023426      10.24499 
1 1 1 -10 16 12 o 80.72788 3.847396 320.1709       30.31412 307.1064       36.03501 351.8000       56.06866 78.98572 4.681905 84.30035 6.854009 -5.314629      8.300463 
1 1 1 -10 16 13 o 80.40493 4.750050 318.2772       37.21754 318.2772       37.21754 0.000000       0.000000 80.40493 4.750050 ?        ?        ?              ?        
1 1 1 -10 16 14 o 60.16894 5.124381 178.9798       29.89314 178.9798       29.89314 0.000000       0.000000 60.16894 5.124381 ?        ?        ?              ?        
1 1 1 -10 16 15 o 88.68763 3.210118 385.9119       27.82103 367.9203       39.47250 403.6727       39.21849 86.46830 4.681164 90.60773 4.435485 -4.139435      6.448785 
1 1 1 -10 16 16 o 52.13235 3.845720 133.9684       19.48602 118.3824       27.03023 150.8325       28.11665 48.74790 5.777007 55.17455 5.270135 -6.426655      7.819727 
1 1 1 -10 16 17 o 176.6653 4.458728 1532.232       77.04087 1624.000       135.1666 1488.074       93.76183 181.3486 7.631690 173.9563 5.513513 7.392303       9.414963 
1 1 1 -10 16 18 o 193.6237 4.734239 1840.205       89.72530 1826.000       152.3504 1847.749       111.0219 192.1633 8.117949 193.7820 5.859873 -1.618759      10.01195 
1 1 1 -10 16 19 o 116.3407 3.326485 663.9905       37.84229 635.2490       53.64811 692.4529       53.38700 113.6422 4.833944 118.6843 4.604270 -5.042046      6.675801 
1 1 1 -10 16 20 o 150.5580 4.147004 1113.067       61.05634 1116.783       75.42137 1106.000       104.0018 150.6790 5.121145 149.5982 7.122914 1.080795       8.772801 
1 1 1 -10 16 21 o 299.7433 5.877979 4420.972       172.4582 4338.296       241.2661 4507.348       246.6069 296.0105 8.335194 301.7174 8.358287 -5.706970      11.80408 
1 1 1 -10 16 22 o 138.2182 5.182189 940.6256       69.98663 981.4000       104.7085 907.7000       94.09251 140.7007 7.631468 135.4117 7.123984 5.288971       10.43985 
1 1 1 -10 16 23 o 115.3856 3.935433 654.2442       44.38274 608.0000       80.02105 674.7905       53.33878 110.6450 7.431772 117.0907 4.663198 -6.445709      8.773634 
1 1 1 -10 16 24 o 188.6061 4.078126 1746.961       75.28745 1722.519       105.7656 1772.067       107.1938 186.8686 5.789300 189.5409 5.784543 -2.672272      8.183944 
1 1 1 -10 16 25 f 192.5233 4.134108 1821.240       77.90609 1698.758       106.0950 1964.564       114.7670 185.4787 5.851109 199.4656 5.884611 -13.98691      8.298441 
1 1 1 -10 16 26 o 249.1174 5.867608 3065.020       143.0775 2770.000       235.7641 3237.017       180.0163 234.4206 10.30000 255.3259 7.210174 -20.90535      12.57285 
1 1 1 -10 16 27 o 136.8878 3.438449 920.8919       46.03515 940.1211       65.44347 902.0571       64.76883 138.0287 4.851394 135.1903 4.902686 2.838394       6.897271 
1 1 1 -10 16 28 o 234.7839 4.813889 2719.289       110.6294 2836.711       160.6239 2613.316       152.5921 238.7243 6.881146 229.1635 6.810241 9.560822       9.681403 
1 1 1 -10 16 29 o 51.08638 3.734628 129.1009       18.54590 124.8825       23.44761 136.1497       30.30968 50.05645 4.846099 52.03327 6.064610 -1.976818      7.763000 
1 1 1 -10 16 30 o 91.23407 3.253016 409.7957       29.00373 428.5480       40.11813 389.2623       41.98014 93.07156 4.416295 88.59127 4.859744 4.480286       6.566641 
1 1 1 -10 16 31 o 100.9620 4.221647 504.1205       41.62811 454.1000       51.65433 596.8000       70.31126 95.44655 5.552898 109.0665 6.617219 -13.61995      8.638418 
1 1 1 -10 16 32 o 51.84091 5.168199 134.7528       25.87609 134.7528       25.87609 0.000000       0.000000 51.84091 5.168199 ?        ?        ?              ?        
1 1 1 -10 16 33 o 59.31497 4.939090 175.9736       28.41594 175.9736       28.41594 0.000000       0.000000 59.31497 4.939090 ?        ?        ?              ?        
1 1 1 -10 16 34 o 35.88712 5.752848 65.94247       19.52571 57.40895       21.80990 100.4000       43.82601 33.13297 6.947260 42.91122 10.51725 -9.778252      12.60464 
1 1 1 -10 16 35 o 91.43565 4.358247 415.8259       38.89391 404.9000       48.73125 435.0000       64.55589 89.76933 5.573406 92.27206 7.204663 -2.502731      9.108788 
1 1 1 -10 16 36 o 39.53223 5.597017 79.81644       21.05285 84.97618       23.76197 60.98000       45.40127 40.64097 6.166647 34.03281 11.48883 6.608162       13.03920 
1 1 1 -10 16 37 o 96.70187 4.034914 464.7172       38.10835 479.4347       46.20312 433.4000       67.39783 97.90186 4.836382 91.64119 7.581391 6.260674       8.992668 
1 1 1 -10 16 38 o 91.34784 3.401114 413.2798       30.35754 424.7545       42.32395 401.1212       43.56712 92.11327 4.709794 89.38070 4.999693 2.732567       6.868703 
1 1 1 -10 16 39 o 32.23841 6.286060 54.49791       19.12335 58.90860       24.32556 47.36171       30.94166 33.12836 7.655332 29.76125 9.453035 3.367113       12.16405 
1 1 1 -10 16 40 o 31.75346 6.577436 53.44589       19.77046 60.92257       26.50623 44.07042       29.68178 33.42214 8.171705 28.69223 9.273410 4.729912       12.36013 
1 1 1 -10 16 41 o 50.16153 4.586473 127.3899       22.27043 180.5560       31.64516 75.22000       31.34724 59.38234 5.507062 36.77205 8.822273 22.61029       10.40001 
1 1 1 -10 16 42 o 14.77399 6.899714 -19.88615      24.64598 34.76000       53.44174 -34.64799      27.77609 29.03713 11.86572 14.35264 6.881281 14.68449       13.71668 
1 1 1 -10 16 43 o 11.45017 5.506589 -24.89997      18.09932 -14.05935      24.21691 -38.61796      27.24188 15.32638 7.045487 13.77307 6.656512 1.553310       9.692680 
1 1 1 -10 16 44 o 35.87235 6.946569 69.63548       23.50998 114.3341       28.89282 -17.95000      40.44447 46.41999 6.539886 19.77876 9.096904 26.64124       11.20374 
1 1 1 -10 16 45 o 46.33635 4.703323 109.9301       21.03683 124.5155       29.63224 95.10929       29.87033 48.48272 6.400299 41.63603 7.609660 6.846687       9.943377 
1 1 1 -10 16 46 o 19.93589 7.693563 16.49817       21.26379 13.35228       26.48800 22.20000       35.66027 20.45709 8.355932 23.95691 9.728977 -3.499819      12.82477 
1 1 1 -10 16 47 o 30.39432 6.986887 50.98533       20.35094 63.97696       29.51094 39.20470       28.10189 33.16637 8.904088 26.55053 9.038077 6.615839       12.68738 
1 1 1 -10 16 48 f 22.58345 7.975194 26.45462       21.97273 34.26000       36.92867 22.17679       27.33871 26.09168 10.11995 22.32649 8.693959 3.765188       13.34160 
1 1 1 -10 16 49 o 35.17890 6.613248 67.77337       21.93636 69.63574       32.47967 66.21133       29.74570 33.99187 9.430919 33.43770 8.922765 0.5541725      12.98299 
1 1 1 -10 16 50 o 25.73162 7.844530 37.67900       21.54740 23.18223       32.81325 48.66938       28.57064 23.20050 9.364771 28.67319 9.080750 -5.472694      13.04450 
1 1 1 -10 16 51 o 52.67910 4.655288 143.2115       23.75762 170.4135       36.66628 123.5272       31.19068 55.91914 6.841155 47.47052 6.915803 8.448612       9.727781 
1 1 1 -10 16 52 o 33.75499 6.680445 62.99102       21.29077 69.38244       32.59272 58.23360       28.11950 33.70027 9.483125 31.25552 8.812975 2.444752       12.94597 
1 1 1 -10 16 53 o 21.55190 7.741868 24.10692       20.79028 30.49645       31.34892 19.09023       27.77772 24.32621 9.353650 21.46778 8.633557 2.858427       12.72906 
1 1 1 -10 16 54 o 46.98472 5.049262 115.5673       22.85755 161.7465       34.55886 79.65562       30.47571 54.47855 6.616256 36.67576 8.633486 17.80279       10.87713 
1 1 1 -10 16 55 o 34.24792 7.731908 67.66686       25.30353 94.34917       33.82037 33.74000       38.13630 39.67562 8.925325 25.49345 10.16220 14.18217       13.52523 
1 1 1 -10 16 56 o 13.76385 6.363373 -11.65132      20.16028 -36.69987      32.65607 3.774354       25.62681 15.28114 7.361078 17.97060 7.813514 -2.689454      10.73483 
1 1 1 -10 16 57 o 20.64845 8.795646 12.90540       31.22431 66.82000       49.36489 -23.05000      40.31318 31.03144 11.78509 18.34262 8.647444 12.68882       14.61734 
1 1 1 -10 16 58 o 19.67031 7.351317 19.40648       19.03699 -1.273978      21.38478 98.38000       41.78933 15.71243 6.972890 38.05865 10.74795 -22.34622      12.81170 
1 1 1 -10 17 1  o 252.1369 5.865579 3121.325       144.7616 3077.295       176.7634 3211.000       252.2617 250.0419 7.229853 254.7300 10.13756 -4.688065      12.45154 
1 1 1 -10 17 2  o 229.5425 6.674420 2591.624       149.8033 2477.000       208.0627 2715.000       215.8602 223.8255 9.518557 234.3720 9.428615 -10.54645      13.39782 
1 1 1 -10 17 3  o 111.9262 4.446825 615.2212       48.62086 514.1000       70.56921 706.6000       67.08368 102.0033 7.112535 119.8348 5.735754 -17.83150      9.137124 
1 1 1 -10 17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 5  f 182.6535 3.969571 1635.300       70.97049 1597.601       101.0765 1671.959       99.67306 180.2958 5.734706 184.4752 5.526160 -4.179428      7.964000 
1 1 1 -10 17 6  o 159.5173 4.207364 1248.394       65.63640 1240.610       82.29552 1262.000       108.8088 158.9054 5.298331 160.0477 6.962234 -1.142319      8.749001 
1 1 1 -10 17 7  f 78.29664 3.160235 300.8175       24.16993 303.0530       37.86629 299.2804       31.39807 78.43806 4.957320 78.02374 4.125879 0.4143295      6.449644 
1 1 1 -10 17 8  o 135.3001 3.366252 896.9684       44.58112 869.4304       64.34437 922.3925       61.82549 133.0259 4.950242 137.0571 4.615085 -4.031204      6.767859 
1 1 1 -10 17 9  o 230.8376 4.695287 2613.973       106.0901 2616.146       151.5503 2611.885       148.5625 230.5555 6.722628 230.3918 6.594515 0.1636353      9.417078 
1 1 1 -10 17 10 o 88.45746 3.056779 383.7952       26.42723 389.8184       40.25951 379.2348       35.03107 89.02387 4.636122 87.85353 4.084872 1.170341       6.178981 
1 1 1 -10 17 11 o 113.1972 3.845334 628.8652       42.54465 626.1595       51.91210 634.4000       74.24830 112.8747 4.708913 113.3730 6.720841 -0.4983444     8.206312 
1 1 1 -10 17 12 o 121.6282 4.738582 726.9509       56.30634 726.9509       56.30634 0.000000       0.000000 121.6282 4.738582 ?        ?        ?              ?        
1 1 1 -10 17 13 o 127.3441 4.872997 797.0218       60.62882 797.0218       60.62882 0.000000       0.000000 127.3441 4.872997 ?        ?        ?              ?        
1 1 1 -10 17 14 o 342.1707 7.655086 5770.576       256.3888 5917.495       319.5315 5505.000       429.6056 345.7395 9.450746 331.6373 13.26102 14.10220       16.28408 
1 1 1 -10 17 15 o 218.4863 5.259881 2344.295       112.4880 2401.355       139.6801 2239.000       189.7467 220.8427 6.468649 212.6004 9.139435 8.242294       11.19699 
1 1 1 -10 17 16 o 74.14164 3.572826 270.0987       25.85235 278.4000       41.49093 264.8307       33.05274 75.05123 5.690331 73.31382 4.629550 1.737411       7.335708 
1 1 1 -10 17 17 o 25.15355 6.924218 32.12757       17.58505 40.14000       25.62611 24.99671       24.17529 28.37232 8.534945 23.90126 8.371477 4.471062       11.95520 
1 1 1 -10 17 18 o 98.73875 3.243901 478.3924       31.30917 450.6125       44.58477 505.4203       43.97718 95.67699 4.775820 101.3797 4.442484 -5.702721      6.522586 
1 1 1 -10 17 19 o 193.6130 4.177437 1839.509       79.16817 1733.086       109.2106 1957.370       114.9296 187.5786 5.955606 199.3708 5.895784 -11.79221      8.380304 
1 1 1 -10 17 20 o 127.0153 3.402497 791.6222       42.26380 755.7213       59.36547 828.5186       60.18298 123.9243 4.903763 129.7865 4.745367 -5.862183      6.823884 
1 1 1 -10 17 21 o 98.19738 3.948946 474.0012       37.87919 513.3000       73.64146 459.8629       44.17056 101.6433 7.453629 96.63267 4.683798 5.010635       8.803098 
1 1 1 -10 17 22 o 250.2968 7.259249 3099.946       177.6618 3042.000       250.0703 3159.000       252.4501 246.5410 10.38581 251.2986 10.28485 -4.757553      14.61654 
1 1 1 -10 17 23 o 57.48602 4.920204 163.7398       27.41949 140.9000       55.84863 170.9936       31.47391 51.99871 11.29649 58.65971 5.547470 -6.660999      12.58511 
1 1 1 -10 17 24 o 142.3845 4.143418 997.1208       57.68535 956.8000       103.9927 1015.042       69.32946 138.6367 7.693521 143.5104 4.942844 -4.873764      9.144505 
1 1 1 -10 17 25 o 124.5933 3.960214 763.7282       48.23560 808.1000       91.28500 746.5398       56.81517 127.3653 7.353470 123.0453 4.726081 4.319977       8.741245 
1 1 1 -10 17 26 o 100.7911 3.905983 500.2360       38.46234 503.7000       74.91911 498.9963       44.81963 100.2711 7.692002 100.5539 4.565597 -0.2827911     8.944919 
1 1 1 -10 17 27 o 163.1160 4.435643 1312.023       70.75484 1264.000       126.0662 1334.107       85.48932 158.6953 8.142972 164.2130 5.325653 -5.517700      9.729880 
1 1 1 -10 17 28 o 74.68165 4.219133 275.7414       30.71662 304.9000       63.57642 266.8623       35.08304 77.39618 8.533581 73.33278 4.915965 4.063400       9.848285 
1 1 1 -10 17 29 f 95.40145 4.005117 449.3874       37.31722 365.7000       70.85028 481.5172       43.90013 84.63932 8.674506 98.63241 4.559493 -13.99309      9.799798 
1 1 1 -10 17 30 o 62.69423 3.580860 194.2030       21.88322 198.2430       29.37829 189.1675       32.79851 63.11240 4.791406 61.47672 5.508845 1.635685       7.301023 
1 1 1 -10 17 31 o 57.75990 4.197317 165.7217       23.56844 180.0004       28.14383 132.2000       43.12243 60.07090 4.827044 50.14459 9.121547 9.926308       10.32003 
1 1 1 -10 17 32 o 71.74845 3.476147 254.4316       24.34012 262.2593       32.93800 245.0149       36.12682 72.56651 4.661849 69.94715 5.316412 2.619354       7.070862 
1 1 1 -10 17 33 o 42.55378 4.585626 90.87479       18.79924 109.7535       24.03659 61.13514       30.16852 46.61510 5.365692 33.82779 8.967301 12.78731       10.45003 
1 1 1 -10 17 34 o 21.76717 7.074022 23.45509       17.25814 13.64000       21.50843 41.19726       28.91779 19.88591 7.720416 28.34106 9.152721 -8.455156      11.97402 
1 1 1 -10 17 35 o 76.75949 4.030525 292.8448       30.17696 304.4265       36.04426 265.7000       55.18158 78.04036 4.740938 71.50352 8.022445 6.536842       9.318589 
1 1 1 -10 17 36 o 12.58850 5.844166 -14.25307      17.27095 -17.33326      18.88175 1.524000       42.73334 12.89800 6.028707 23.43619 10.14027 -10.53819      11.79705 
1 1 1 -10 17 37 o 8.723230 4.378201 -47.23282      16.33589 -48.13826      17.73394 -42.16000      41.97602 9.294519 4.649953 18.48306 8.746796 -9.188538      9.905983 
1 1 1 -10 17 38 o 51.96772 4.874334 136.3326       24.50508 146.5793       28.25138 105.2000       49.24442 53.70211 5.449943 42.88732 11.49689 10.81479       12.72322 
1 1 1 -10 17 39 o 36.28310 6.429911 69.09182       21.99989 79.77095       25.08091 33.46000       45.81359 38.89279 6.837695 28.40003 11.19626 10.49275       13.11908 
1 1 1 -10 17 40 o 58.50998 4.602738 172.9155       26.14832 183.9554       30.66509 143.5000       50.05516 60.07667 5.267994 50.12587 10.53696 9.950802       11.78046 
1 1 1 -10 17 41 o 24.37248 9.611010 24.00792       33.76679 61.51000       53.22894 -1.247000      43.68106 33.21842 12.31606 22.63370 10.00899 10.58472       15.87026 
1 1 1 -10 17 42 o 24.10604 7.151331 31.26846       18.08736 41.95927       24.04604 17.33738       27.44925 27.58662 8.260573 21.70519 8.631555 5.881430       11.94742 
1 1 1 -10 17 43 o 22.60391 7.296260 26.96153       18.37807 65.33004       24.94084 -18.62214      27.18494 34.41969 7.605697 15.77066 7.325112 18.64903       10.55954 
1 1 1 -10 17 44 o 28.60997 6.629955 44.49815       18.20303 23.38713       24.80028 69.15465       26.80202 22.40401 8.387033 35.19174 7.966844 -12.78773      11.56775 
1 1 1 -10 17 45 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 17 46 o 39.50951 5.359857 81.60662       20.19412 112.0304       28.67111 51.65499       28.44778 45.70549 6.599608 29.90701 8.991658 15.79848       11.15369 
1 1 1 -10 17 47 o 26.66761 7.701262 39.92741       21.22214 21.65000       34.24178 51.32684       27.04212 23.45231 9.530025 29.79327 8.719460 -6.340960      12.91706 
1 1 1 -10 17 48 o 52.46145 4.448242 141.0623       22.62691 172.1824       33.34866 114.5145       30.80147 56.93545 6.077850 45.66761 7.122947 11.26784       9.363581 
1 1 1 -10 17 49 f 21.88972 7.566990 25.36800       19.71874 65.52206       29.59908 -6.673463      26.44049 33.21549 8.917419 16.80575 7.582705 16.40973       11.70546 
1 1 1 -10 17 50 o 21.77801 7.650608 24.93285       20.20104 22.41835       29.46180 27.16397       27.75199 22.50573 8.944834 23.27020 8.836596 -0.7644653     12.57360 
1 1 1 -10 17 51 o 23.51212 7.617054 30.80994       20.01845 9.940839       29.55154 48.50743       27.21349 20.15793 8.570692 28.60062 8.833838 -8.442698      12.30827 
1 1 1 -10 17 52 o 21.74934 7.592658 25.17454       19.87645 12.67269       29.52989 35.53041       26.87621 20.59234 8.651731 25.10007 8.824007 -4.507730      12.35781 
1 1 1 -10 17 53 o 51.78135 4.478317 138.2678       22.47547 174.8139       33.86325 109.4929       30.04793 57.03391 6.163616 44.33586 7.168446 12.69805       9.453929 
1 1 1 -10 17 54 o 26.63254 7.937490 41.25044       22.24196 58.42381       29.50056 18.63000       33.85735 30.95372 9.120250 22.33183 9.314898 8.621889       13.03634 
1 1 1 -10 17 55 o 24.37637 8.494064 33.63228       24.86970 60.81031       30.98175 -15.61000      41.70288 31.37537 9.372150 19.54741 9.077032 11.82796       13.04721 
1 1 1 -10 17 56 o 44.22355 5.297328 103.9460       22.47495 117.1949       26.15129 66.51000       43.95906 46.58907 5.864222 31.35774 11.25829 15.23133       12.69402 
1 1 1 -10 17 57 o 24.12024 7.395273 33.79794       19.11483 22.61684       21.46888 76.56000       41.98521 20.88483 7.806446 33.17588 11.04628 -12.29105      13.52630 
1 1 1 -10 18 1  o 109.8870 4.498923 593.2034       48.28830 684.4000       79.83887 540.6000       60.63621 117.7562 6.957677 104.7412 5.938699 13.01503       9.147536 
1 1 1 -10 18 2  o 320.6992 6.223839 5053.870       195.3721 5058.059       277.9755 5049.781       274.6501 320.0450 8.881971 319.8148 8.781857 0.2302856      12.49041 
1 1 1 -10 18 3  o 101.2301 3.194091 502.5653       31.60964 470.7709       48.02726 526.8630       41.98508 97.81826 5.032969 103.5790 4.149513 -5.760712      6.522977 
1 1 1 -10 18 4  o 62.42685 4.368852 192.0466       26.52740 148.0000       45.78821 214.3000       32.54581 54.06025 8.967108 65.88685 5.085837 -11.82660      10.30897 
1 1 1 -10 18 5  o 235.1299 4.784641 2712.440       110.1193 2521.927       150.5936 2931.371       161.4354 226.3373 6.805152 244.0434 6.764641 -17.70605      9.595335 
1 1 1 -10 18 6  o 176.9684 3.909124 1535.282       67.71447 1404.615       93.44608 1679.761       98.26067 169.0235 5.656138 184.8861 5.435519 -15.86258      7.844537 
1 1 1 -10 18 7  o 292.8047 5.735997 4211.221       164.3967 4201.793       233.6853 4220.459       231.3169 291.8164 8.189269 292.4937 8.087264 -0.6772766     11.50947 
1 1 1 -10 18 8  o 104.6582 3.535673 537.4352       36.16826 570.4000       66.56106 523.6237       43.08393 107.5286 6.352276 103.2422 4.272592 4.286392       7.655486 
1 1 1 -10 18 9  o 23.90082 6.041001 29.16339       14.13728 63.48609       28.11378 17.54684       16.35562 35.18061 8.299334 19.90793 6.891082 15.27268       10.78730 
1 1 1 -10 18 10 o 136.9848 3.412880 919.6315       45.76145 928.9319       67.61078 911.7692       62.16463 137.4745 5.032933 136.2378 4.668546 1.236679       6.864819 
1 1 1 -10 18 11 o 169.1168 4.389056 1403.913       72.59336 1327.420       88.52048 1561.000       126.8544 164.2997 5.512089 177.8790 7.301276 -13.57938      9.148320 
1 1 1 -10 18 12 o 110.6630 4.807374 602.1734       51.94926 602.1734       51.94926 0.000000       0.000000 110.6630 4.807374 ?        ?        ?              ?        
1 1 1 -10 18 13 o 129.9215 4.008641 828.5650       50.91720 842.7961       62.89492 801.5000       86.73587 130.9365 4.916100 127.3934 6.982473 3.543022       8.539495 
1 1 1 -10 18 14 o 358.7430 8.010709 6351.660       281.2941 6572.054       353.1280 5969.000       465.3062 363.9735 9.921136 344.6794 13.81970 19.29413       17.01215 
1 1 1 -10 18 15 o 68.80446 4.806615 233.5483       32.16785 261.4000       42.17283 194.8000       49.74319 72.66209 5.982453 62.24813 8.376359 10.41396       10.29335 
1 1 1 -10 18 16 o 155.2460 4.119113 1183.280       62.53837 1385.000       116.4281 1101.478       74.14221 167.4612 7.119171 149.6568 5.068624 17.80437       8.739196 
1 1 1 -10 18 17 o 160.1492 3.726738 1257.892       58.41977 1231.750       83.60154 1282.839       81.66843 158.2009 5.406771 161.4898 5.173251 -3.288956      7.483027 
1 1 1 -10 18 18 o 75.44191 3.399075 279.6243       25.03587 279.5754       35.83541 279.6709       34.99179 75.28082 4.889652 75.30795 4.771534 -0.2713776E-01 6.832001 
1 1 1 -10 18 19 o 67.41582 3.947801 223.7922       25.93693 243.4512       32.49841 189.3000       43.04691 70.23253 4.755389 61.49123 7.293817 8.741295       8.707094 
1 1 1 -10 18 20 o 40.25833 5.758432 81.39616       22.04607 79.11000       27.63236 85.40000       36.56818 39.37279 7.442561 40.64836 9.381173 -1.275574      11.97490 
1 1 1 -10 18 21 o 44.58959 5.932753 99.68513       25.25186 136.4000       53.95808 89.38902       28.57407 51.21900 11.08490 41.93983 7.220970 9.279171       13.22942 
1 1 1 -10 18 22 o 142.4073 4.132133 997.1364       57.53780 993.8000       105.3787 998.5536       68.67899 141.3811 7.643159 142.3683 4.935849 -0.9871674     9.098378 
1 1 1 -10 18 23 o 104.2155 3.896092 534.3041       39.67369 527.5000       76.04167 536.8491       46.50494 102.8058 7.610593 104.3639 4.563453 -1.558144      8.873907 
1 1 1 -10 18 24 o 197.7620 4.933717 1927.147       95.50439 1939.000       170.2901 1921.708       115.3534 196.7026 8.867300 197.0797 5.986681 -0.3771515     10.69904 
1 1 1 -10 18 25 o 88.93958 3.944867 389.7864       34.25718 380.7000       68.91341 392.7687       39.48088 86.92262 8.196387 89.18243 4.537650 -2.259804      9.368620 
1 1 1 -10 18 26 o 179.4379 4.664394 1589.047       81.85538 1478.000       141.3375 1645.092       100.4087 171.4254 8.449212 182.2295 5.635972 -10.80417      10.15644 
1 1 1 -10 18 27 o 92.53124 4.003345 422.5168       36.17336 350.8000       70.59126 448.0548       42.12442 82.94637 8.830128 95.18243 4.534419 -12.23606      9.926333 
1 1 1 -10 18 28 o 79.63648 4.085838 313.5265       31.74280 274.4000       63.90462 326.3423       36.57383 73.01173 9.141804 81.13927 4.624183 -8.127548      10.24479 
1 1 1 -10 18 29 o 21.40643 8.063858 17.50888       23.00278 -33.63000      51.96108 29.97373       25.65347 22.38667 10.30172 25.20320 8.634053 -2.816525      13.44144 
1 1 1 -10 18 30 o 96.54515 5.043991 463.8890       47.50092 483.3000       77.68891 452.3000       60.02877 97.23134 8.240475 94.80725 6.508098 2.424088       10.50051 
1 1 1 -10 18 31 o 69.20430 4.566412 238.4559       30.75959 303.5000       66.29438 220.6116       34.72351 76.35867 9.045225 66.32732 5.394961 10.03136       10.53194 
1 1 1 -10 18 32 o 98.38621 4.096914 479.9291       39.36824 492.5000       79.85448 475.8928       45.24931 97.67850 8.434622 97.75724 4.743019 -0.7874298E-01 9.676728 
1 1 1 -10 18 33 o 39.34167 8.026100 81.87804       29.85942 0.000000       0.000000 81.87804       29.85942 ?        ?        39.34167 8.026100 ?              ?        
1 1 1 -10 18 34 o 59.53271 5.118677 178.2569       29.53839 189.5000       66.32175 175.4748       32.99120 58.16679 12.04538 58.83895 5.803808 -0.6721611     13.37069 
1 1 1 -10 18 35 o 25.54523 8.802097 31.86737       26.67316 -0.4423000     61.63247 39.31350       29.58751 27.32806 11.99423 27.80546 9.273402 -0.4773979     15.16105 
1 1 1 -10 18 36 o 17.36083 7.628860 -4.133839      25.00229 60.39000       57.83799 -18.96215      27.72675 34.62650 12.83819 16.24056 7.492095 18.38594       14.86441 
1 1 1 -10 18 37 o 86.58860 3.433585 371.6858       29.04376 396.0217       40.52542 345.9858       41.64563 88.90538 4.673272 82.87177 5.159604 6.033607       6.961392 
1 1 1 -10 18 38 o 27.61932 6.700719 40.62587       17.92799 38.30283       22.70856 44.46935       29.20942 26.79088 8.028775 28.81984 9.188133 -2.028961      12.20176 
1 1 1 -10 18 39 o 22.75762 7.668135 26.10510       20.22541 20.92355       22.84519 44.89000       43.49800 21.74872 8.067616 29.91098 11.12524 -8.162260      13.74254 
1 1 1 -10 18 40 o 67.35353 6.307909 235.7215       41.10262 232.2000       62.53462 238.4000       54.53819 63.90513 10.35097 66.13662 8.630342 -2.231487      13.47685 
1 1 1 -10 18 41 f 40.81168 5.380748 86.23516       20.97165 99.15052       23.86879 42.51000       43.91803 43.65474 5.723628 29.06772 11.09757 14.58703       12.48663 
1 1 1 -10 18 42 o 34.01752 6.385895 61.84696       20.48259 70.26457       23.34243 33.67000       42.70696 36.09953 6.856649 27.23985 10.78768 8.859676       12.78232 
1 1 1 -10 18 43 o 17.80672 7.321027 8.120661       20.50145 8.120661       20.50145 0.000000       0.000000 17.80672 7.321027 ?        ?        ?              ?        
1 1 1 -10 18 44 o 20.11025 7.739743 16.87238       21.47805 16.87238       21.47805 0.000000       0.000000 20.11025 7.739743 ?        ?        ?              ?        
1 1 1 -10 18 45 o 20.03970 7.818840 16.26194       22.14676 16.65000       25.75284 15.16000       43.39619 20.92572 8.347728 24.14529 10.32952 -3.219572      13.28095 
1 1 1 -10 18 46 f 26.43300 9.429221 38.36000       30.78377 38.36000       30.78377 0.000000       0.000000 26.43300 9.429221 ?        ?        ?              ?        
1 1 1 -10 18 47 o 34.90134 7.158284 67.59305       23.63319 79.95521       28.17933 38.28000       43.39244 37.58008 7.911290 27.35887 10.86138 10.22121       13.43719 
1 1 1 -10 18 48 o 43.40390 5.967413 100.6782       24.68217 110.7920       30.09554 79.90000       43.13697 44.82779 7.094695 35.16426 11.16064 9.663536       13.22477 
1 1 1 -10 18 49 o 28.04294 7.159309 44.43011       19.71672 36.80362       28.10751 51.81841       27.66507 25.55958 9.020625 29.53302 8.864349 -3.973444      12.64707 
1 1 1 -10 18 50 o 38.61016 5.534985 79.17569       20.32071 104.3500       30.25451 58.48463       27.42854 43.18467 7.424993 31.44249 8.644643 11.74217       11.39563 
1 1 1 -10 18 51 o 36.73668 5.899757 72.67445       20.49683 84.91946       30.14467 62.14524       27.95304 38.19946 8.299846 32.33535 8.659196 5.864109       11.99454 
1 1 1 -10 18 52 o 15.61140 6.712802 2.330117       18.50173 21.06934       28.03295 -12.13263      24.62739 21.88397 8.716228 15.38321 7.083730 6.500761       11.23173 
1 1 1 -10 18 53 o 42.88042 7.798477 105.0174       31.52679 105.0174       31.52679 0.000000       0.000000 42.88042 7.798477 ?        ?        ?              ?        
1 1 1 -10 18 54 o 22.73175 7.096640 28.89885       17.51025 30.39614       19.35283 22.14000       41.11758 23.25128 7.485650 23.94912 10.14313 -0.6978378     12.60627 
1 1 1 -10 18 55 o 28.42250 7.240242 46.48716       20.19597 51.04395       22.95570 30.88000       42.48376 29.47934 7.825755 25.22856 10.47137 4.250774       13.07257 
1 1 1 -10 18 56 o 38.96738 5.334961 81.28455       19.81509 75.95733       22.14293 102.7000       44.39642 37.02478 6.337675 38.65497 11.13150 -1.630196      12.80923 
1 1 1 -10 18 57 o 18.17933 6.940326 15.37010       17.17660 12.32066       18.89214 29.91000       41.25269 17.75361 7.126900 24.52693 10.26002 -6.773323      12.49242 
1 1 1 -10 19 1  o 175.0592 5.509156 1506.511       94.28342 1675.000       146.0060 1386.000       123.4806 184.1325 8.120888 167.5740 7.547480 16.55853       11.08663 
1 1 1 -10 19 2  o 289.7392 5.715109 4123.919       162.0832 4136.440       231.2617 4111.831       227.2319 289.5048 8.169137 288.6767 8.049623 0.8281250      11.46871 
1 1 1 -10 19 3  o 346.1515 7.732250 5904.473       261.9861 6032.596       327.0458 5675.000       437.6850 349.1240 9.579290 336.8700 13.29987 12.25400       16.39053 
1 1 1 -10 19 4  o 75.67316 4.477904 281.8851       33.01999 181.2000       55.74730 336.3000       40.98267 59.74840 9.876960 82.61516 5.092726 -22.86676      11.11261 
1 1 1 -10 19 5  o 183.8571 4.660590 1659.644       83.80639 1632.301       104.1015 1710.000       141.2752 182.1696 5.845714 186.1069 7.772379 -3.937378      9.725341 
1 1 1 -10 19 6  o 336.7508 6.507247 5577.859       214.4925 5769.891       312.0187 5405.803       295.3441 341.4708 9.343924 330.5937 9.135747 10.87711       13.06793 
1 1 1 -10 19 7  o 140.0558 3.489565 961.4173       47.83862 893.8098       68.75085 1024.876       66.60806 134.8202 5.219612 144.4407 4.717521 -9.620560      7.035578 
1 1 1 -10 19 8  o 98.86398 3.198956 479.4534       30.91579 458.9711       48.00159 493.9722       40.41402 96.55398 5.097067 100.2763 4.126259 -3.722275      6.557904 
1 1 1 -10 19 9  o 216.9411 4.500473 2309.133       95.56664 2346.042       138.1700 2275.282       132.3228 218.2816 6.473969 214.9972 6.294534 3.284424       9.029587 
1 1 1 -10 19 10 o 151.7287 4.903047 1131.295       72.72261 1157.000       108.0394 1110.000       98.33488 153.0833 7.230648 150.0258 6.713311 3.057434       9.866652 
1 1 1 -10 19 11 o 210.9675 5.089237 2185.625       105.0932 2184.870       130.7968 2187.000       176.5304 210.6390 6.351095 210.2068 8.597734 0.4322052      10.68913 
1 1 1 -10 19 12 o 149.3011 4.849632 1095.544       70.77850 1065.000       101.9148 1124.000       98.37106 146.8469 7.111468 150.9489 6.674310 -4.101929      9.752917 
1 1 1 -10 19 13 o 81.99487 4.676306 331.1149       37.37587 347.5000       51.05957 312.2000       54.85970 83.80174 6.270149 79.27033 7.146950 4.531410       9.507558 
1 1 1 -10 19 14 o 106.1093 4.572836 553.7568       47.38322 641.8000       68.19969 471.6000       65.88046 114.0366 6.132425 97.57516 6.943169 16.46146       9.263597 
1 1 1 -10 19 15 o 126.9425 5.171941 793.1982       64.12930 708.0000       94.23145 866.7000       87.52455 119.4073 8.110435 132.4394 6.774100 -13.03213      10.56729 
1 1 1 -10 19 16 o 170.2012 4.513617 1423.355       75.12943 1408.441       92.10874 1453.000       129.8624 169.1324 5.571356 171.3108 7.764668 -2.178391      9.556676 
1 1 1 -10 19 17 o 55.93945 4.830360 154.8930       26.18982 67.69000       60.42021 175.0682       29.06195 38.30464 13.24549 59.46877 5.040056 -21.16413      14.17198 
1 1 1 -10 19 18 o 22.71875 7.314672 24.82977       18.47866 54.18221       23.09215 -27.43000      30.81242 32.47216 7.426927 16.74480 7.784715 15.72737       10.75923 
1 1 1 -10 19 19 o 176.9713 3.914843 1537.434       67.81461 1509.160       95.83039 1565.796       95.97847 174.9716 5.602602 178.2491 5.507590 -3.277542      7.856379 
1 1 1 -10 19 20 o 186.9137 4.744464 1719.224       86.73279 1713.000       154.8761 1722.069       104.6887 185.4427 8.555400 186.8349 5.731247 -1.392227      10.29767 
1 1 1 -10 19 21 o 87.10203 3.946743 373.4326       33.56167 362.3000       66.09567 377.3001       38.95769 85.02991 8.036723 87.46906 4.566032 -2.439148      9.243244 
1 1 1 -10 19 22 o 114.5659 3.882201 645.6674       43.47221 649.4000       82.86757 644.2502       51.06270 114.1202 7.459385 114.3272 4.572196 -0.2070389     8.749137 
1 1 1 -10 19 23 o 131.3268 3.998066 848.7953       51.33382 897.3000       97.39709 830.1385       60.40481 134.1244 7.448020 129.7224 4.765288 4.402023       8.842000 
1 1 1 -10 19 24 o 144.2379 4.152797 1024.828       58.56981 1094.000       111.0791 998.1913       68.93068 147.8822 7.700320 142.1529 4.961546 5.729355       9.160342 
1 1 1 -10 19 25 o 237.8472 5.672198 2801.708       132.0553 2766.000       230.8812 2819.070       160.9880 233.1323 10.14192 237.8024 6.923628 -4.670029      12.27987 
1 1 1 -10 19 26 o 145.8291 4.195574 1049.251       59.82601 1004.000       108.5361 1069.000       71.70222 141.2138 7.883488 146.9509 4.992119 -5.737167      9.331165 
1 1 1 -10 19 27 o 118.5906 3.940942 694.0063       45.68281 740.9000       89.39925 677.4341       53.14537 121.2188 7.572380 116.9756 4.650831 4.243195       8.886573 
1 1 1 -10 19 28 o 126.5198 4.065393 790.8065       50.28092 688.5000       90.19019 836.9435       60.56645 116.4988 7.956947 129.9350 4.770209 -13.43620      9.277279 
1 1 1 -10 19 29 o 74.19251 3.795711 272.3065       27.47348 241.0696       33.31528 338.7000       48.57042 69.53590 4.926625 82.11482 6.086147 -12.57893      7.830250 
1 1 1 -10 19 30 o 142.7008 3.559276 1004.663       49.71579 1060.553       72.53812 955.1521       68.27303 145.9249 5.086220 138.4948 5.044703 7.430099       7.163705 
1 1 1 -10 19 31 o 53.50194 4.828621 143.4191       25.01522 140.9000       31.26608 147.9000       41.69903 52.63977 6.186038 53.20197 8.276423 -0.5622025     10.33278 
1 1 1 -10 19 32 o 106.1285 3.670403 557.3841       38.07129 573.2000       60.92916 547.2539       48.76255 106.7268 5.854804 104.7626 4.767751 1.964134       7.550508 
1 1 1 -10 19 33 o 21.74484 7.046797 23.52861       17.13244 35.81937       21.97672 4.486718       27.35447 26.22301 7.907330 19.69743 8.304283 6.525587       11.46678 
1 1 1 -10 19 34 o 90.90209 4.181452 411.1672       37.10585 380.1000       74.07272 421.5749       42.87299 84.87681 9.055562 91.81522 4.787022 -6.938408      10.24299 
1 1 1 -10 19 35 o 89.67883 4.221296 400.7911       36.95060 450.1000       76.80939 385.9436       42.14819 92.54915 8.576377 87.71301 4.929007 4.836136       9.891883 
1 1 1 -10 19 36 o 54.33050 5.454342 149.9692       28.61434 76.91000       60.88988 170.6767       32.41682 37.36906 13.26857 57.85802 5.802234 -20.48896      14.48174 
1 1 1 -10 19 37 o 16.88700 7.481764 -5.462051      24.51945 -59.10000      54.50729 8.145329       27.45401 20.34434 9.723126 20.19747 8.403345 0.1468773      12.85128 
1 1 1 -10 19 38 o 56.55890 6.972080 167.6909       37.78234 156.6000       57.73157 176.0000       49.96959 51.72109 11.68057 56.55129 9.354012 -4.830204      14.96440 
1 1 1 -10 19 39 o 37.84272 7.017612 76.63569       25.03738 61.41000       54.65820 80.67887       28.16621 33.41735 12.46292 38.52420 7.738379 -5.106853      14.66993 
1 1 1 -10 19 40 o 21.46488 8.118785 20.07652       23.37116 94.52000       55.40236 3.961384       25.77697 38.94917 12.67578 18.68196 7.975832 20.26721       14.97629 
1 1 1 -10 19 41 o 13.07868 6.210773 -23.48691      21.52142 -55.11000      52.95959 -17.23168      23.55397 19.77442 9.486275 14.64166 6.806740 5.132755       11.67566 
1 1 1 -10 19 42 o 24.42589 8.625795 30.82619       25.70392 36.20000       52.71469 29.15000       29.44102 28.71366 11.76506 24.48864 9.144039 4.225023       14.90067 
1 1 1 -10 19 43 o 45.69190 5.558358 108.8652       24.34864 139.1000       53.08855 100.8110       27.40048 47.42327 11.54642 43.38260 6.665534 4.040668       13.33226 
1 1 1 -10 19 44 o 11.90413 5.846128 -43.37436      23.50588 0.000000       0.000000 -43.37436      23.50588 ?        ?        11.90413 5.846128 ?              ?        
1 1 1 -10 19 45 o 24.75082 8.602517 33.03563       25.50040 0.000000       0.000000 33.03563       25.50040 ?        ?        24.75082 8.602517 ?              ?        
1 1 1 -10 19 46 o 25.83635 8.043310 37.52421       22.51036 -15.05000      50.56681 50.51761       25.13858 21.94148 10.12053 29.62659 8.325428 -7.685112      13.10488 
1 1 1 -10 19 47 o 25.86702 9.735033 36.04000       33.50766 0.000000       0.000000 36.04000       33.50766 ?        ?        25.86702 9.735033 ?              ?        
1 1 1 -10 19 48 o 54.35818 5.017167 153.8101       26.39393 195.5000       59.92179 143.7745       29.39956 55.15210 11.47395 51.97265 5.882386 3.179447       12.89395 
1 1 1 -10 19 49 o 21.24322 7.902180 22.22549       21.94658 140.0000       54.48396 -0.5850385     23.97788 45.71248 12.01950 16.92939 7.453965 28.78308       14.14319 
1 1 1 -10 19 50 o 22.60775 9.131573 22.02158       31.22238 14.52000       49.19868 27.08000       40.40029 24.29803 10.68856 24.77547 10.24072 -0.4774323     14.80263 
1 1 1 -10 19 51 o 37.43995 9.114506 84.59348       33.08389 93.44000       50.30345 77.85000       43.91908 36.71707 12.08615 34.23639 11.29426 2.480679       16.54192 
1 1 1 -10 19 52 o 30.97412 7.641451 55.29422       23.02231 55.29422       23.02231 0.000000       0.000000 30.97412 7.641451 ?        ?        ?              ?        
1 1 1 -10 19 53 o 19.78507 7.439467 18.76563       19.55877 26.27578       22.21463 -7.130000      41.25040 22.19858 7.999067 20.30422 9.281961 1.894354       12.25316 
1 1 1 -10 19 54 o 40.19762 6.031645 87.75008       23.00088 101.1000       27.08025 53.18000       43.57761 42.73217 6.693899 29.06044 11.06419 13.67173       12.93154 
1 1 1 -10 19 55 o 19.28531 7.085746 18.61429       17.55029 29.91134       19.48949 -29.83000      40.35888 22.94434 7.521413 17.78352 8.462145 5.160822       11.32164 
1 1 1 -10 19 56 o 19.87361 7.202492 20.69877       18.04283 21.72469       20.09888 16.44000       40.95050 20.42934 7.569221 22.58000 9.846512 -2.150658      12.41962 
1 1 1 -10 20 1  o 167.6942 3.829853 1378.804       62.86463 1325.000       128.7239 1395.656       72.03976 163.6872 8.058896 168.6136 4.368572 -4.926422      9.166800 
1 1 1 -10 20 2  f 119.8902 4.950596 706.8024       57.97117 624.7000       84.13885 781.0000       79.98594 112.3077 7.700466 125.8265 6.516546 -13.51884      10.08774 
1 1 1 -10 20 3  o 223.9664 5.333088 2463.668       116.9143 2272.000       197.2711 2567.439       145.1534 214.0710 9.437743 228.3473 6.500806 -14.27632      11.46000 
1 1 1 -10 20 4  o 174.7830 4.563739 1500.043       78.01077 1434.172       96.01339 1628.000       133.8178 170.7331 5.753456 181.5829 7.545359 -10.84982      9.488662 
1 1 1 -10 20 5  o 127.6339 3.424570 799.0317       42.74503 779.7104       64.44640 814.2079       57.11638 125.8932 5.241324 128.7347 4.539825 -2.841476      6.934082 
1 1 1 -10 20 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 20 7  o 146.2793 3.587290 1048.999       51.36359 1010.083       75.29182 1082.876       70.24834 143.2899 5.377710 148.4416 4.841229 -5.151688      7.235832 
1 1 1 -10 20 8  o 186.2881 4.719323 1704.578       85.98473 1631.190       105.3516 1851.000       148.8105 182.0416 5.920281 193.5175 7.872539 -11.47583      9.850208 
1 1 1 -10 20 9  o 63.62162 3.954972 199.2877       24.50764 181.8082       38.79068 210.9000       31.61713 60.40470 6.671745 65.34595 4.980601 -4.941254      8.325778 
1 1 1 -10 20 10 o 64.98454 3.419015 207.5914       21.67138 203.7600       37.41598 209.5257       26.58463 64.07947 6.036411 65.21626 4.186668 -1.136795      7.346186 
1 1 1 -10 20 11 o 161.7444 3.732185 1282.991       59.08791 1311.799       87.60529 1258.948       80.03301 163.2651 5.489703 159.9971 5.116933 3.268051       7.504654 
1 1 1 -10 20 12 o 125.2065 3.708871 769.5206       45.40418 776.6000       80.32283 766.1962       55.04170 125.3870 6.567453 124.8467 4.511524 0.5402985      7.967766 
1 1 1 -10 20 13 o 304.3782 6.865580 4567.745       204.5488 5106.000       383.0844 4353.085       241.9223 319.0232 12.29077 296.5085 8.343813 22.51468       14.85538 
1 1 1 -10 20 14 o 155.0449 4.327329 1181.006       65.60826 1219.554       82.57320 1115.000       108.0499 157.3964 5.367525 150.0963 7.377020 7.300110       9.123090 
1 1 1 -10 20 15 o 101.7067 3.937471 508.3896       39.12478 504.2437       48.51641 516.1000       66.16309 101.1724 4.913842 102.0831 6.657819 -0.9106522     8.274805 
1 1 1 -10 20 16 o 42.69024 5.779368 91.34747       23.53020 67.66467       28.28254 144.6000       42.41037 36.25691 8.166189 53.38998 8.391891 -17.13307      11.70942 
1 1 1 -10 20 17 o 49.87375 5.097475 123.6167       24.53515 113.8639       29.35887 146.2000       44.67524 47.61363 6.466403 53.57328 8.826591 -5.959652      10.94180 
1 1 1 -10 20 18 f 32.83312 5.583224 54.56020       17.30159 77.25123       25.65218 35.62334       23.43425 38.95475 6.984128 26.75257 8.185663 12.20218       10.76026 
1 1 1 -10 20 19 o 182.9949 4.002661 1644.993       71.69587 1645.012       102.7008 1644.975       100.1344 182.5476 5.754857 182.5845 5.609559 -0.3695679E-01 8.036512 
1 1 1 -10 20 20 o 49.11428 5.038599 120.0477       23.87970 130.4000       56.22778 117.7696       26.37661 49.79309 11.73072 48.53541 5.658048 1.257675       13.02395 
1 1 1 -10 20 21 o 97.00901 3.799269 463.1543       36.00624 599.8000       75.97060 423.5674       40.89054 109.7020 7.113328 92.65411 4.522367 17.04787       8.429190 
1 1 1 -10 20 22 o 81.24680 3.999300 325.4509       31.70734 301.0000       63.31137 333.6367       36.63243 77.11543 8.529958 82.17307 4.572418 -5.057632      9.678181 
1 1 1 -10 20 23 o 162.7325 4.385006 1305.710       69.78381 1356.000       128.8562 1284.840       83.01075 164.4242 8.030622 161.1615 5.269278 3.262695       9.605008 
1 1 1 -10 20 24 o 114.5043 3.920755 646.2839       43.87897 557.4000       80.11241 684.3760       52.44520 105.1927 7.836816 117.6877 4.561328 -12.49505      9.067602 
1 1 1 -10 20 25 o 85.11744 3.201814 356.6501       26.62846 304.2411       36.70037 414.9120       38.69545 78.30958 4.811172 91.60403 4.327816 -13.29446      6.471272 
1 1 1 -10 20 26 o 49.56690 3.863812 121.8241       18.59824 101.8516       24.92343 146.9195       27.93765 44.90250 5.806436 54.16863 5.338398 -9.266125      7.887534 
1 1 1 -10 20 27 o 31.70295 6.177351 51.80802       18.48009 26.13433       21.78948 117.6000       34.88102 23.46728 7.958919 47.72471 7.731153 -24.25743      11.09573 
1 1 1 -10 20 28 o 145.9669 4.126137 1054.018       58.89362 1089.968       74.37897 993.6000       96.42455 148.0025 5.142037 140.2900 7.044440 7.712448       8.721506 
1 1 1 -10 20 29 o 102.1322 3.228786 514.4601       32.23757 499.1247       45.57687 529.8143       45.60477 100.1803 4.660663 103.2679 4.522653 -3.087578      6.494318 
1 1 1 -10 20 30 f 65.94910 3.687486 215.5219       23.70896 168.8000       33.85218 260.5041       33.21595 57.69599 6.085828 72.25240 4.722532 -14.55642      7.703221 
1 1 1 -10 20 31 o 18.87741 7.241239 12.87571       18.75743 19.23000       22.18811 -3.040000      35.11559 21.47820 7.953804 20.86861 9.108822 0.6095848      12.09271 
1 1 1 -10 20 32 o 35.91172 5.227413 65.74713       17.83611 59.66049       23.17510 74.59047       27.93451 33.61884 7.255641 37.49244 7.863364 -3.873592      10.69938 
1 1 1 -10 20 33 o 12.53763 5.712638 -9.119151      15.45968 -15.66239      19.14283 3.151458       26.21458 13.24797 6.151147 19.06099 8.087033 -5.813013      10.16055 
1 1 1 -10 20 34 o 56.99395 3.817362 161.7773       21.17321 160.4966       28.14118 163.4482       32.14320 56.36864 5.157422 56.62818 5.884676 -0.2595406     7.824858 
1 1 1 -10 20 35 o 39.89892 4.846376 80.76856       18.53944 91.54116       24.08183 65.09418       29.04855 42.13821 6.008580 34.59680 8.611856 7.541409       10.50081 
1 1 1 -10 20 36 o 38.18591 4.968489 74.37824       18.13099 57.87198       23.18891 100.3416       29.08280 32.84763 7.391416 43.66497 7.044168 -10.81734      10.21045 
1 1 1 -10 20 37 o 53.08796 3.918836 141.1854       20.22028 164.4990       27.32533 112.9687       30.06171 56.95012 4.951056 46.35817 6.829310 10.59195       8.435191 
1 1 1 -10 20 38 o 40.33962 4.526033 82.74033       17.56343 100.9962       23.00150 57.21182       27.19992 44.28093 5.419645 32.09190 8.518177 12.18903       10.09613 
1 1 1 -10 20 39 o 11.39070 5.264427 -10.10748      13.78117 -4.560255      17.01769 -20.67653      23.48987 13.94538 6.202670 14.21966 6.671454 -0.2742805     9.109414 
1 1 1 -10 20 40 o 34.43325 4.921438 61.25794       16.11605 49.45575       21.47513 76.47406       24.38409 30.00068 7.367671 37.71101 6.858471 -7.710329      10.06584 
1 1 1 -10 20 41 o 17.91105 6.644741 13.99501       15.49820 14.64259       19.58448 12.91000       25.35028 19.13171 7.383437 20.18039 8.200089 -1.048672      11.03434 
1 1 1 -10 20 42 o 49.91946 3.790128 125.6082       18.38112 140.8903       25.28827 108.4903       26.76413 52.34385 4.996231 45.28622 6.200475 7.057629       7.962927 
1 1 1 -10 20 43 o 13.45020 5.860933 -1.076890      14.48587 -11.97000      18.62311 15.61034       23.04987 13.30844 6.139704 20.11712 7.938296 -6.808674      10.03556 
1 1 1 -10 20 44 o 76.33315 3.262773 291.3914       24.32222 331.3071       35.11963 254.6006       33.71687 80.66381 4.465427 70.38492 4.925051 10.27889       6.648019 
1 1 1 -10 20 45 o 13.74310 5.889918 1.019983       14.15573 5.784496       17.90807 -6.915371      23.11120 16.30299 6.785293 15.75952 7.101871 0.5434752      9.822259 
1 1 1 -10 20 46 o 57.33014 3.520334 165.6476       19.65956 189.9822       27.60344 140.5970       28.00658 60.75729 4.677485 51.64877 5.630878 9.108513       7.320222 
1 1 1 -10 20 47 o 40.98526 4.265148 86.31911       16.86071 101.6237       23.61242 70.39733       24.08385 43.76891 5.642632 35.47618 7.182265 8.292728       9.133687 
1 1 1 -10 20 48 o 27.86295 8.020953 44.99000       23.05489 44.99000       23.05489 0.000000       0.000000 27.86295 8.020953 ?        ?        ?              ?        
1 1 1 -10 20 49 f 62.71871 3.256414 197.7720       19.92292 184.4998       21.62645 272.2000       51.21317 60.35122 3.678413 69.74416 7.625983 -9.392944      8.466779 
1 1 1 -10 20 50 o 27.22674 5.814339 40.41717       15.02417 30.79400       16.04653 108.8000       42.77554 23.48823 6.669333 41.27348 10.54941 -17.78525      12.48079 
1 1 1 -10 20 51 o 22.88541 6.428798 29.08236       14.99228 29.08236       14.99228 0.000000       0.000000 22.88541 6.428798 ?        ?        ?              ?        
1 1 1 -10 20 52 o 11.93918 5.351929 -4.019008      12.93263 -3.560045      13.58433 -8.461000      42.26086 12.34926 5.514059 20.37307 9.343931 -8.023802      10.84960 
1 1 1 -10 20 53 o 13.98600 5.825176 4.066106       13.21247 -2.201670      13.92576 60.59000       41.81944 12.78902 5.653630 30.55353 10.97949 -17.76450      12.34960 
1 1 1 -10 20 54 o 17.40900 7.939992 -7.767598      29.95872 -1.597000      45.02477 -12.67000      40.13214 21.42624 9.757377 19.33017 8.951292 2.096073       13.24130 
1 1 1 -10 20 55 o 29.79565 9.541269 56.82874       31.47100 58.96000       47.33264 55.14000       42.13317 29.49326 11.45221 28.88603 10.90646 0.6072311      15.81468 
1 1 1 -10 20 56 f 25.02159 9.430882 37.44337       31.47258 -3.500000      47.01054 70.70000       42.36845 21.17520 9.763879 31.57537 11.08075 -10.40017      14.76876 
1 1 1 -10 21 1  o 84.11527 3.292695 347.3251       27.05782 322.3000       68.82906 351.8994       29.42702 80.23590 8.914169 84.64685 3.559588 -4.410950      9.598598 
1 1 1 -10 21 2  o 115.9190 3.288174 659.1475       37.27149 711.2000       89.16730 648.1275       41.02760 119.8266 7.642145 114.9142 3.652143 4.912399       8.469978 
1 1 1 -10 21 3  o 105.7262 3.254094 548.3914       33.63578 583.3000       82.63396 541.4590       36.82449 108.4324 7.838532 105.0277 3.587272 3.404655       8.620390 
1 1 1 -10 21 4  o 274.0934 5.450380 3692.224       146.2284 3707.000       296.6383 3687.481       168.0676 272.6263 11.13958 273.7322 6.272664 -1.105896      12.78423 
1 1 1 -10 21 5  o 73.07365 4.259496 262.8951       30.33460 0.000000       0.000000 262.8951       30.33460 ?        ?        73.07365 4.259496 ?              ?        
1 1 1 -10 21 6  o 100.0926 4.267520 492.5039       41.71439 460.9000       63.42205 516.6000       55.37873 96.49196 6.757672 102.3630 5.547790 -5.871025      8.743232 
1 1 1 -10 21 7  o 130.5233 3.979473 836.5171       50.78228 813.6454       65.45516 871.1000       80.48692 128.5737 5.211788 132.8899 6.204802 -4.316223      8.103228 
1 1 1 -10 21 8  o 59.90932 4.066837 176.9058       23.70693 188.4164       37.58438 169.3000       30.55122 61.54029 6.329530 58.43924 5.402061 3.101048       8.321371 
1 1 1 -10 21 9  o 296.1929 5.817932 4316.292       168.6745 4532.596       248.0306 4130.188       230.0648 302.5586 8.383173 288.8999 8.143859 13.65869       11.68760 
1 1 1 -10 21 10 o 189.3313 4.097453 1759.046       75.93508 1793.703       111.1146 1728.677       104.0136 190.8138 5.956450 187.3762 5.677677 3.437622       8.228931 
1 1 1 -10 21 11 f 71.50248 3.531142 251.3368       24.63752 279.0000       47.80617 241.3323       28.74949 74.95490 6.582740 69.99374 4.215826 4.961151       7.817011 
1 1 1 -10 21 12 o 71.11928 3.528963 248.6830       24.48962 293.6000       47.69285 232.5990       28.53943 76.92241 6.391935 68.70004 4.265100 8.222366       7.684263 
1 1 1 -10 21 13 o 115.2220 3.261321 651.5317       36.74498 702.5776       57.96413 617.2362       47.51134 119.4435 4.968669 112.0262 4.341046 7.417313       6.597906 
1 1 1 -10 21 14 o 190.9743 4.856047 1794.145       90.70090 1778.341       111.5368 1825.000       155.8448 189.8725 6.008929 191.6640 8.326890 -1.791519      10.26861 
1 1 1 -10 21 15 o 46.55518 5.587200 108.2468       24.95250 78.86317       30.36108 169.4000       43.79999 39.16816 8.183335 57.94850 7.929704 -18.78035      11.39505 
1 1 1 -10 21 16 o 55.04378 4.840144 150.1680       25.81261 138.5320       31.44678 174.2000       45.19283 52.62560 6.225213 58.72115 8.076346 -6.095543      10.19709 
1 1 1 -10 21 17 o 23.90282 8.009952 26.73754       22.07069 35.77702       26.69123 7.194000       39.24625 27.17469 8.794749 24.09370 10.03768 3.080990       13.34551 
1 1 1 -10 21 18 o 78.77913 3.289312 305.1046       25.30847 326.0580       38.80413 289.5933       33.38683 81.22774 4.903368 76.59872 4.472401 4.629013       6.636670 
1 1 1 -10 21 19 o 126.9862 3.330928 792.1932       41.36687 787.0809       60.15097 796.7808       56.98086 126.3038 4.874566 127.1394 4.586218 -0.8355560     6.692891 
1 1 1 -10 21 20 o 64.57919 4.104016 205.9690       25.80805 249.2000       59.14291 195.8009       28.68299 70.02042 8.824821 62.86919 4.694914 7.151230       9.995983 
1 1 1 -10 21 21 o 99.78400 3.836099 490.4431       37.39790 478.6000       74.03393 494.5005       43.33305 97.59146 7.815472 100.0892 4.434094 -2.497765      8.985700 
1 1 1 -10 21 22 o 120.7186 5.044963 721.2453       59.48125 676.8000       86.79683 760.6000       81.67499 116.0813 7.682193 123.4255 6.786604 -7.344200      10.25056 
1 1 1 -10 21 23 o 136.3242 4.070233 916.6015       54.25151 889.8000       99.65022 927.8915       64.67651 133.0074 7.686882 136.9467 4.832481 -3.939240      9.079704 
1 1 1 -10 21 24 o 132.5477 4.039715 867.0555       52.35062 809.1000       95.35781 892.0585       62.63325 126.6397 7.729537 134.2265 4.774772 -7.586800      9.085383 
1 1 1 -10 21 25 o 186.4653 4.780603 1722.238       87.18234 1586.000       149.3352 1792.680       107.3813 176.5338 8.668780 189.7165 5.789297 -13.18262      10.42419 
1 1 1 -10 21 26 o 76.03573 5.066783 288.1728       37.49480 263.3000       64.44643 300.9000       46.10017 71.06696 9.502486 77.38243 6.136521 -6.315468      11.31168 
1 1 1 -10 21 27 o 75.39629 4.884578 283.4120       35.85416 283.4120       35.85416 0.000000       0.000000 75.39629 4.884578 ?        ?        ?              ?        
1 1 1 -10 21 28 o 138.5812 4.142478 951.4282       56.12844 872.1920       66.24801 1153.000       105.6637 132.2529 5.127254 150.7773 7.180145 -18.52440      8.822881 
1 1 1 -10 21 29 o 69.64342 3.672212 240.2985       24.94460 178.2000       37.04730 291.7997       33.73840 59.13343 6.508019 76.53226 4.523926 -17.39883      7.925920 
1 1 1 -10 21 30 o 26.75999 6.541305 37.58094       16.98740 18.64015       22.64036 61.98018       25.69641 21.42273 8.014756 34.15612 7.850636 -12.73339      11.21913 
1 1 1 -10 21 31 o 48.90120 4.129074 119.4691       19.57965 95.34903       26.28509 149.5356       29.34683 42.99097 6.444713 54.31953 5.599639 -11.32856      8.537581 
1 1 1 -10 21 32 o 56.98132 3.778381 161.5284       20.95485 161.0103       28.72016 162.1181       30.64242 56.46598 5.256676 56.54187 5.610569 -0.7588959E-01 7.688376 
1 1 1 -10 21 33 o 62.47296 3.598354 193.9114       21.91093 196.5378       29.85803 190.8466       32.25395 62.49477 4.920696 61.39844 5.422526 1.096329       7.322366 
1 1 1 -10 21 34 o 80.90756 3.367955 324.4847       26.61405 326.1910       36.91674 322.6382       38.40313 80.64121 4.697257 80.10471 4.921574 0.5364990      6.803390 
1 1 1 -10 21 35 o 61.82657 4.130219 191.3392       24.85172 187.6118       28.87121 202.0000       48.82656 60.95197 4.879905 61.54938 8.317147 -0.5974083     9.643050 
1 1 1 -10 21 36 o 73.90697 4.229116 273.9124       30.46663 198.4000       58.96101 301.4190       35.58557 59.25375 10.55276 77.31333 4.724895 -18.05958      11.56224 
1 1 1 -10 21 37 o 24.97658 6.238979 33.30913       15.20721 50.69549       19.67482 7.508478       23.96745 30.74024 6.726158 18.89429 7.855605 11.84595       10.34175 
1 1 1 -10 21 38 o 87.91593 3.201921 384.4934       27.50796 407.0250       39.64291 363.5706       38.20139 89.74201 4.527607 84.74776 4.622663 4.994247       6.470567 
1 1 1 -10 21 39 o 62.69811 4.277499 198.6923       26.09406 207.9000       59.62208 196.5107       29.02108 59.70210 10.59040 62.09225 4.812504 -2.390152      11.63257 
1 1 1 -10 21 40 o 33.97338 5.012712 59.91087       16.16915 89.07574       20.47373 11.57000       26.35871 41.48870 5.152174 20.15389 8.295223 21.33481       9.765020 
1 1 1 -10 21 41 o 17.66142 6.156778 15.03584       13.06686 28.84592       16.85531 -5.765150      20.68620 23.09829 6.915901 15.14899 6.781409 7.949302       9.685927 
1 1 1 -10 21 42 o 10.52466 4.884625 -9.458749      12.05190 13.88000       15.56434 -44.40608      19.04579 17.83361 6.650637 10.02769 4.985017 7.805921       8.311521 
1 1 1 -10 21 43 o 22.93394 5.814552 28.38560       13.06868 36.88402       16.68269 14.88650       21.02564 25.93647 6.566093 19.41233 7.605416 6.524137       10.04768 
1 1 1 -10 21 44 o 7.665246 3.787343 -22.44480      10.37996 -13.34430      12.54417 -42.20833      18.48595 10.12253 4.787709 9.929148 4.931843 0.1933870      6.873517 
1 1 1 -10 21 45 o 26.35956 9.453267 38.84259       30.98376 6.114000       49.05837 60.56000       39.96258 23.64265 10.52267 31.31296 10.77459 -7.670309      15.06049 
1 1 1 -10 21 46 o 37.01404 9.179727 82.15500       33.09509 51.74000       52.19851 102.6000       42.79645 29.73241 11.87669 40.18377 10.69345 -10.45136      15.98142 
1 1 1 -10 21 47 o 29.12906 9.761514 51.48584       32.77859 103.7000       52.29644 17.70000       42.06737 38.64301 12.29134 23.66750 10.14857 14.97551       15.93959 
1 1 1 -10 21 48 o 30.35116 9.713293 56.49418       32.61972 14.32000       52.08564 83.71000       41.84132 24.71565 10.92961 35.86153 10.93103 -11.14587      15.45781 
1 1 1 -10 21 49 o 43.60479 4.606672 98.63480       19.36512 98.63480       19.36512 0.000000       0.000000 43.60479 4.606672 ?        ?        ?              ?        
1 1 1 -10 21 50 o 28.08549 11.33580 44.70000       48.07585 44.70000       48.07585 0.000000       0.000000 28.08549 11.33580 ?        ?        ?              ?        
1 1 1 -10 21 51 o 36.83215 9.078876 82.29890       32.51910 85.99000       47.96899 79.16000       44.23546 35.29788 11.80840 34.29868 11.33572 0.9992027      16.36878 
1 1 1 -10 21 52 o 40.66735 11.05352 110.0000       45.14256 0.000000       0.000000 110.0000       45.14256 ?        ?        40.66735 11.05352 ?              ?        
1 1 1 -10 21 53 f 26.53240 9.504385 42.27864       31.31010 68.28000       46.33542 20.43000       42.47441 31.57795 11.52763 23.66050 10.17237 7.917448       15.37411 
1 1 1 -10 21 54 o 16.95243 7.787559 -9.801970      29.51595 -43.42000      43.95753 17.80000       39.83064 17.51204 8.461610 22.73534 9.813282 -5.223305      12.95760 
1 1 1 -10 21 55 o 32.55893 9.378168 68.10556       31.50864 92.81000       47.79081 49.11000       41.90665 35.44791 11.78480 27.61094 10.76044 7.836966       15.95834 
1 1 1 -10 22 1  f 53.70744 3.959520 142.2815       20.66898 146.4000       62.92840 141.7834       21.88304 53.03447 12.35298 53.58595 4.205739 -0.5514870     13.04930 
1 1 1 -10 22 2  f 166.7733 4.433664 1366.396       72.31194 1473.000       138.0766 1326.108       84.88341 172.3836 8.206669 164.1624 5.289447 8.221191       9.763589 
1 1 1 -10 22 3  o 123.6228 4.558514 751.4223       55.06604 0.000000       0.000000 751.4223       55.06604 ?        ?        123.6228 4.558514 ?              ?        
1 1 1 -10 22 4  o 192.4894 4.834620 1821.270       91.01887 1686.000       158.8935 1887.334       111.0427 184.2593 8.835638 195.7663 5.801296 -11.50705      10.56994 
1 1 1 -10 22 5  o 99.38972 3.195132 484.7489       31.04358 641.6000       84.13945 460.0327       33.40003 113.7236 7.602288 96.79096 3.531298 16.93262       8.382414 
1 1 1 -10 22 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 22 7  o 106.7101 3.694744 559.2333       38.53367 544.4000       83.05042 563.3027       43.49929 104.5769 8.178345 107.0488 4.159311 -2.471870      9.175249 
1 1 1 -10 22 8  o 60.36600 5.667463 180.8866       33.09618 148.9000       62.96082 193.1000       38.90496 53.43836 12.29295 62.25906 6.478697 -8.820702      13.89569 
1 1 1 -10 22 9  o 41.59946 4.748490 86.12872       18.98934 34.20000       62.47592 91.41438       19.93236 33.32518 13.09395 42.86013 4.835464 -9.534954      13.95827 
1 1 1 -10 22 10 o 128.2024 3.751135 807.1884       47.02163 822.7000       85.38459 800.4365       56.33353 128.9258 6.789959 127.5649 4.518727 1.360924       8.156128 
1 1 1 -10 22 11 o 156.2926 3.699662 1198.676       56.59873 1162.898       82.71842 1230.172       77.61089 153.5985 5.510786 158.0783 5.022217 -4.479843      7.455966 
1 1 1 -10 22 12 o 95.64813 3.153164 449.1292       29.48053 459.0107       47.23800 442.8253       37.72993 96.46974 5.019851 94.87568 4.072277 1.594063       6.463926 
1 1 1 -10 22 13 o 54.50055 3.450585 146.3191       18.31321 125.4200       32.92159 155.6838       22.03747 49.90779 6.925546 56.15984 4.035852 -6.252056      8.015690 
1 1 1 -10 22 14 f 56.83947 3.495129 159.1477       19.35147 129.0933       34.20392 173.2970       23.46871 50.59497 7.101828 59.25625 4.070950 -8.661278      8.185878 
1 1 1 -10 22 15 o 106.4171 3.959295 557.1086       41.16970 564.9563       51.76491 543.6000       67.91559 107.0100 4.955478 104.6230 6.666550 2.387039       8.306602 
1 1 1 -10 22 16 o 124.1418 4.001648 758.2014       48.56188 795.0887       61.29253 696.0000       79.59193 126.9569 4.941689 118.3187 6.902390 8.638168       8.489009 
1 1 1 -10 22 17 o 165.2934 4.455993 1345.681       72.02942 1338.342       88.58614 1360.000       123.7356 164.5677 5.507153 165.1513 7.675313 -0.5835419     9.446648 
1 1 1 -10 22 18 f 56.54261 3.665292 157.7637       20.17642 171.5725       31.41159 148.0649       26.32509 58.68121 5.534060 54.57430 4.982969 4.106915       7.446865 
1 1 1 -10 22 19 o 100.1616 3.203374 493.1962       31.36581 487.5784       46.62303 497.8410       42.39387 99.31142 4.810484 100.4499 4.321800 -1.138458      6.466739 
1 1 1 -10 22 20 o 110.7061 3.814577 603.7434       41.27383 635.1000       82.74007 593.3559       47.62206 112.4978 7.557755 109.6203 4.447475 2.877495       8.769247 
1 1 1 -10 22 21 o 99.61208 5.093278 492.0035       49.49616 404.1000       72.45976 568.9000       67.77148 89.23336 8.394506 106.7046 6.519825 -17.47120      10.62901 
1 1 1 -10 22 22 o 94.56240 3.883418 441.3022       35.86855 364.4000       68.82442 469.9780       42.02728 84.58373 8.424755 97.47430 4.416361 -12.89056      9.512136 
1 1 1 -10 22 23 o 52.00326 4.130736 134.2752       20.85372 99.39064       30.36902 165.4007       28.68612 43.95128 7.316240 57.54200 5.147390 -13.59072      8.945557 
1 1 1 -10 22 24 o 135.5220 3.464449 905.1438       45.91916 884.2838       65.40414 925.4214       64.48463 133.4438 5.016194 136.5877 4.830840 -3.143921      6.964138 
1 1 1 -10 22 25 o 76.62251 3.845697 290.5186       28.75062 251.6564       36.04345 358.5000       47.67140 70.96272 5.225728 84.57758 5.793313 -13.61486      7.801968 
1 1 1 -10 22 26 o 91.38071 5.350068 417.5505       47.64486 400.4000       71.14064 431.5000       64.15894 88.15558 8.343749 92.13335 7.170759 -3.977776      11.00172 
1 1 1 -10 22 27 o 94.34029 3.258712 439.2551       30.04670 403.4976       43.02314 473.3012       41.98093 89.93536 4.905837 97.59927 4.405757 -7.663918      6.593780 
1 1 1 -10 22 28 f 66.58335 3.772560 219.9069       24.48655 155.8000       37.18650 268.9822       32.53599 55.02864 7.066759 73.44824 4.547912 -18.41960      8.403725 
1 1 1 -10 22 29 o 74.06681 3.399429 271.4791       24.57968 250.4214       35.48422 290.9032       34.08012 70.61671 5.169410 76.33878 4.581979 -5.722076      6.907773 
1 1 1 -10 22 30 o 43.41512 5.167738 95.53436       21.53028 91.29797       26.95548 103.0000       35.78343 41.91427 6.803259 43.87843 8.639163 -1.964157      10.99634 
1 1 1 -10 22 31 f 90.54708 3.256224 405.4815       28.81292 431.4517       42.21803 382.8386       39.42086 92.90607 4.657306 87.51814 4.618082 5.387939       6.558748 
1 1 1 -10 22 32 o 17.75180 7.097899 9.007941       18.66179 31.56099       22.49698 -40.75000      33.41587 24.85430 8.076607 15.94089 7.617063 8.913413       11.10186 
1 1 1 -10 22 33 o 42.86472 4.607587 92.80804       19.02897 89.27489       25.53710 97.21899       28.53359 41.40641 6.515893 43.05404 7.011823 -1.647621      9.571965 
1 1 1 -10 22 34 o 72.45657 4.479490 263.5659       31.61432 279.6000       40.00552 236.9000       51.59114 74.14491 5.552623 66.84822 8.046181 7.296684       9.776127 
1 1 1 -10 22 35 o 93.48477 3.902902 436.3816       35.63514 354.2000       67.79881 467.7507       41.88766 81.09474 8.675943 96.50943 4.446094 -15.41469      9.748833 
1 1 1 -10 22 36 f 59.75731 3.361245 177.9575       19.58138 178.6685       27.40871 177.2162       27.98478 59.34997 4.757866 59.05109 4.885260 0.2988815      6.819314 
1 1 1 -10 22 37 f 21.56384 6.074555 24.71742       13.36603 42.81163       17.78794 1.252428       20.25659 28.16807 6.572256 16.35034 7.027151 11.81773       9.621612 
1 1 1 -10 22 38 o 10.03857 4.677239 -9.663373      11.21950 -10.45747      14.62187 -8.526463      17.49559 11.74481 5.426149 13.42340 6.100993 -1.678592      8.164876 
1 1 1 -10 22 39 o 23.54820 5.801795 29.72383       13.28460 46.16908       16.78054 2.111000       21.74408 29.36819 6.039232 16.95856 7.284457 12.40962       9.462327 
1 1 1 -10 22 40 o 49.43102 3.258765 122.2891       15.67940 143.2204       21.56785 98.82756       22.83434 53.14536 4.179672 43.52731 5.480688 9.618046       6.892575 
1 1 1 -10 22 41 f 72.09899 4.017267 262.5214       28.23875 250.4000       32.93073 296.2000       54.89107 69.92462 4.841217 73.66956 7.727002 -3.744942      9.118330 
1 1 1 -10 22 42 o 49.58356 7.432331 134.8750       34.96177 162.6000       52.51193 112.8000       46.85673 51.72102 10.72478 42.46402 11.13742 9.256992       15.46167 
1 1 1 -10 22 43 o 19.33293 8.446126 2.405932       30.25086 33.38000       47.63401 -18.53000      39.16193 27.07887 11.14899 19.05912 8.831574 8.019753       14.22310 
1 1 1 -10 22 44 o 42.09151 8.323313 101.5051       33.07683 70.99000       50.52029 124.4000       43.76005 33.13508 12.04586 45.17322 10.14541 -12.03814      15.74903 
1 1 1 -10 22 45 o 20.04028 8.609972 7.862599       30.38921 -0.9352000     49.25483 13.27000       38.61500 22.74075 10.29640 22.53868 9.694753 0.2020741      14.14228 
1 1 1 -10 22 46 o 34.05204 9.481321 71.11085       32.76400 48.91000       51.59825 86.11000       42.41150 29.07921 11.74130 36.29706 10.99331 -7.217846      16.08449 
1 1 1 -10 22 47 o 23.19499 9.216142 24.92976       31.26754 10.92000       49.45357 34.26000       40.35793 23.95623 10.61901 25.96915 10.41943 -2.012918      14.87710 
1 1 1 -10 22 48 o 39.93637 8.832035 94.92419       33.60787 89.23000       52.37457 98.91000       43.81901 35.63783 12.33167 38.79932 11.02247 -3.161488      16.53980 
1 1 1 -10 22 49 o 34.29396 12.01137 81.39000       49.76818 81.39000       49.76818 0.000000       0.000000 34.29396 12.01137 ?        ?        ?              ?        
1 1 1 -10 22 50 o 21.40108 9.827708 -7.674000      46.94987 -7.674000      46.94987 0.000000       0.000000 21.40108 9.827708 ?        ?        ?              ?        
1 1 1 -10 22 51 o 19.86516 9.111491 -8.577000      40.19196 0.000000       0.000000 -8.577000      40.19196 ?        ?        19.86516 9.111491 ?              ?        
1 1 1 -10 22 52 o 40.30683 8.608139 97.09550       32.92950 119.7000       48.41708 77.64000       44.91820 41.83058 11.47929 33.56479 11.42665 8.265793       16.19698 
1 1 1 -10 22 53 o 21.92035 8.997715 20.83385       30.90283 23.24000       45.84426 18.83000       41.83657 24.28034 10.50420 23.19599 10.03483 1.084352       14.52708 
1 1 1 -10 22 54 o 16.15348 7.550519 -16.16062      29.61998 -41.74000      44.06606 4.922000       40.00566 17.53193 8.471427 20.93119 9.395480 -3.399256      12.65070 
1 1 1 -10 23 1  o 161.7656 3.730937 1283.973       59.07591 1363.000       129.0017 1263.002       66.45361 165.7333 7.975466 160.3245 4.238318 5.408783       9.031689 
1 1 1 -10 23 2  o 71.03533 4.270226 248.6735       29.55437 234.3000       61.06469 253.0703       33.77346 68.02386 9.423954 71.59225 4.848111 -3.568382      10.59788 
1 1 1 -10 23 3  o 226.7548 4.680616 2526.695       103.8881 2520.000       211.6775 2528.819       119.2360 224.7855 9.642984 226.7041 5.373310 -1.918610      11.03900 
1 1 1 -10 23 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 23 5  o 76.88626 4.501622 291.4142       33.73027 256.0000       64.22964 304.9000       39.63563 71.13085 9.459379 78.56109 5.183289 -7.430237      10.78640 
1 1 1 -10 23 6  o 125.5841 3.364590 774.1163       41.32201 744.7000       91.54406 781.6436       46.30814 122.4243 7.678011 126.1489 3.754492 -3.724602      8.546816 
1 1 1 -10 23 7  o 153.3976 3.624691 1154.638       54.42468 1198.000       118.8752 1143.138       61.21739 155.3180 7.844618 152.5213 4.104244 2.796722       8.853409 
1 1 1 -10 23 8  o 48.14964 4.024362 114.6269       18.79358 0.000000       0.000000 114.6269       18.79358 ?        ?        48.14964 4.024362 ?              ?        
1 1 1 -10 23 9  o 51.22402 4.298154 129.8145       21.35217 0.000000       0.000000 129.8145       21.35217 ?        ?        51.22402 4.298154 ?              ?        
1 1 1 -10 23 10 o 126.0590 3.331871 780.1649       41.07591 822.7000       94.58586 770.2787       45.60027 128.6352 7.545208 125.2081 3.724878 3.427170       8.414564 
1 1 1 -10 23 11 o 30.78331 4.924252 47.78352       14.33768 85.25000       54.37921 44.98436       14.86363 40.84738 12.46377 29.78457 5.292218 11.06281       13.54080 
1 1 1 -10 23 12 o 63.51699 3.271438 198.4849       20.27072 119.2000       57.80687 209.6010       21.64514 47.59716 12.31481 65.26266 3.400085 -17.66549      12.77556 
1 1 1 -10 23 13 o 23.22534 5.770381 27.67333       13.05990 85.15000       52.93015 23.94732       13.47657 40.66891 12.27336 21.71595 6.093344 18.95296       13.70271 
1 1 1 -10 23 14 o 103.0881 3.584266 522.5897       36.11220 584.7000       77.75537 505.5081       40.77673 108.2447 7.382868 101.3094 4.120631 6.935272       8.454960 
1 1 1 -10 23 15 o 121.9667 3.278649 730.8867       39.10644 776.9343       60.51748 697.8725       51.24227 125.4477 4.938114 118.9904 4.407186 6.457321       6.618780 
1 1 1 -10 23 16 o 152.5490 4.299411 1146.517       64.13442 1179.060       80.50822 1090.000       106.0983 154.4263 5.334151 147.7952 7.357144 6.631042       9.087395 
1 1 1 -10 23 17 o 72.71642 4.326438 261.3658       30.65501 255.8492       38.66671 270.7000       50.29694 71.71309 5.551693 73.41233 7.087508 -1.699242      9.003003 
1 1 1 -10 23 18 o 120.5784 4.003176 716.6180       47.18218 749.0221       59.41545 661.3000       77.63049 123.0519 4.942988 115.0133 6.927815 8.038658       8.510449 
1 1 1 -10 23 19 o 173.1340 3.899596 1476.199       66.08581 1491.495       96.15582 1462.506       90.97789 173.3395 5.674891 171.7517 5.418414 1.587799       7.846247 
1 1 1 -10 23 20 o 30.85130 7.692078 49.64021       23.14728 0.000000       0.000000 49.64021       23.14728 ?        ?        30.85130 7.692078 ?              ?        
1 1 1 -10 23 21 o 102.5691 3.807142 519.1976       38.15643 522.8000       75.94643 517.9813       44.13046 101.6430 7.690564 102.3020 4.417463 -0.6589737     8.868977 
1 1 1 -10 23 22 o 53.65805 4.779100 143.6669       24.83839 186.5000       56.31081 133.3200       27.67630 59.50899 10.02306 51.49166 5.580258 8.017334       11.47174 
1 1 1 -10 23 23 o 42.90128 4.880582 92.42181       20.13107 58.21459       29.92767 120.6899       27.20585 33.16908 8.993561 48.87123 5.800240 -15.70216      10.70173 
1 1 1 -10 23 24 o 78.86948 3.917126 308.0865       30.14544 309.0586       39.94281 306.8000       45.94971 78.63573 5.218875 78.06588 6.060781 0.5698471      7.998107 
1 1 1 -10 23 25 o 96.45263 3.946764 460.8148       37.18289 333.6000       69.82651 511.1653       43.92920 79.94924 9.083620 101.4368 4.435090 -21.48759      10.10852 
1 1 1 -10 23 26 o 107.7367 4.515992 577.3071       47.51807 0.000000       0.000000 577.3071       47.51807 ?        ?        107.7367 4.515992 ?              ?        
1 1 1 -10 23 27 o 72.41899 4.670537 261.9712       32.93090 0.000000       0.000000 261.9712       32.93090 ?        ?        72.41899 4.670537 ?              ?        
1 1 1 -10 23 28 o 147.6685 3.621790 1078.543       52.35007 1106.052       76.79150 1054.658       71.55405 148.5716 5.288891 145.2294 5.041183 3.342133       7.306565 
1 1 1 -10 23 29 o 77.43284 4.125916 298.5231       31.15883 186.2000       66.28210 330.3867       35.30280 57.32580 12.18807 81.36042 4.449861 -24.03462      12.97499 
1 1 1 -10 23 30 o 42.97170 4.565876 93.03248       18.91130 96.14469       28.01938 90.42855       25.62937 42.94608 6.899024 41.77142 6.477998 1.174660       9.463667 
1 1 1 -10 23 31 o 100.7541 3.274963 502.4824       32.25508 514.8344       47.33839 491.7780       44.06812 101.3437 4.785629 99.15524 4.552638 2.188469       6.605206 
1 1 1 -10 23 32 o 12.33455 5.703765 -12.31739      16.20983 -20.33237      21.92737 -2.659093      24.07054 13.78007 6.458993 17.21723 7.527697 -3.437159      9.918912 
1 1 1 -10 23 33 o 18.79963 7.078392 14.31171       17.71926 13.30751       20.16135 17.72000       37.14291 19.20061 7.469037 24.20209 9.891321 -5.001484      12.39455 
1 1 1 -10 23 34 o 26.33104 5.678570 36.53365       14.20482 40.46559       19.10348 31.67126       21.24386 27.40407 7.073812 24.54979 7.836775 2.854279       10.55717 
1 1 1 -10 23 35 o 59.02921 3.217001 173.4492       18.51739 193.5611       26.61126 154.5691       25.78345 61.91740 4.419895 55.13186 4.826474 6.785538       6.544488 
1 1 1 -10 23 36 o 22.05500 8.952968 16.18430       30.18414 -11.64000      48.71751 33.52000       38.45420 22.46152 10.19779 26.74466 10.33947 -4.283140      14.52238 
1 1 1 -10 23 37 o 58.83550 6.386744 182.0100       36.19180 223.6000       56.69171 153.4000       47.02018 62.83263 9.515326 51.78968 9.629797 11.04295       13.53789 
1 1 1 -10 23 38 o 48.76898 11.46659 146.0000       53.81035 146.0000       53.81035 0.000000       0.000000 48.76898 11.46659 ?        ?        ?              ?        
1 1 1 -10 23 39 f 18.19723 8.162537 -6.371478      30.13654 -17.57000      45.64722 2.281000       40.12400 20.91630 9.636126 21.87908 9.637491 -0.9627838     13.62851 
1 1 1 -10 23 40 o 22.40005 9.848377 4.177000       41.71664 0.000000       0.000000 4.177000       41.71664 ?        ?        22.40005 9.848377 ?              ?        
1 1 1 -10 23 41 o 23.07548 9.210947 22.27588       31.37345 -12.89000      45.84531 53.25000       43.02626 21.24842 9.740467 30.18793 11.09406 -8.939508      14.76329 
1 1 1 -10 23 42 o 15.90679 7.459596 -21.91444      29.31041 -6.692000      45.98568 -32.33000      38.03837 21.80147 9.901910 17.45563 8.279905 4.345846       12.90754 
1 1 1 -10 23 43 o 31.71761 9.422664 60.42289       31.38370 82.77000       49.53764 45.44000       40.56230 35.35105 12.00035 28.28012 10.69595 7.070934       16.07519 
1 1 1 -10 23 44 o 30.63355 9.552125 57.10060       31.73395 92.37000       51.32994 35.28000       40.37431 36.67563 12.21393 26.21774 10.45441 10.45790       16.07715 
1 1 1 -10 23 45 o 27.07044 9.642092 42.87616       32.17765 63.58000       51.59787 29.70000       41.16239 31.33551 12.01253 25.27956 10.38137 6.055950       15.87683 
1 1 1 -10 23 46 f 20.85543 8.834503 12.15819       31.20199 28.67000       50.68003 2.079000       39.59610 26.21558 11.18758 21.16179 9.433812 5.053793       14.63416 
1 1 1 -10 23 47 f 21.07058 8.820734 14.67136       30.52485 50.18000       48.68718 -8.326000      39.18201 28.94558 11.50055 19.78652 9.045662 9.159052       14.63170 
1 1 1 -10 23 48 o 27.62383 11.33569 41.73000       49.03152 41.73000       49.03152 0.000000       0.000000 27.62383 11.33569 ?        ?        ?              ?        
1 1 1 -10 23 49 o 40.14953 8.700686 95.90620       33.20398 56.82000       48.45804 130.5000       45.58828 29.90031 11.59383 45.24149 10.49782 -15.34118      15.64037 
1 1 1 -10 23 50 o 25.01401 10.38544 29.62000       41.80710 0.000000       0.000000 29.62000       41.80710 ?        ?        25.01401 10.38544 ?              ?        
1 1 1 -10 23 51 o 15.40849 7.653846 -83.83000      44.54542 -83.83000      44.54542 0.000000       0.000000 15.40849 7.653846 ?        ?        ?              ?        
1 1 1 -10 23 52 o 22.70825 9.081175 25.14508       30.55271 55.30000       45.92994 1.211000       40.91902 29.07902 11.28405 20.89225 9.429184 8.186768       14.70508 
1 1 1 -10 23 53 o 26.84980 9.550158 45.19238       31.55661 55.08000       46.13641 36.50000       43.25809 28.68534 11.25779 25.64023 10.59731 3.045105       15.46095 
1 1 1 -10 23 54 o 27.09698 9.526331 47.11608       31.32493 66.15000       46.57956 31.40000       42.32563 30.22589 11.45504 24.56550 10.34167 5.660389       15.43270 
1 1 1 -10 24 1  o 162.1273 4.334572 1292.599       68.72565 1211.000       122.9003 1329.725       82.89851 156.0005 8.076101 164.2780 5.161791 -8.277542      9.584753 
1 1 1 -10 24 2  o 49.10618 3.885818 119.1398       18.52562 116.9000       55.00117 119.4264       19.67528 47.24766 11.90087 49.13577 4.129044 -1.888111      12.59681 
1 1 1 -10 24 3  o 82.81561 3.721759 337.3581       30.09231 382.2000       66.39474 325.7652       33.75879 87.44416 7.840171 81.31361 4.256299 6.130547       8.921007 
1 1 1 -10 24 4  o 77.24368 3.731183 293.5977       28.12738 322.5000       64.78584 286.8844       31.22364 80.13301 8.383585 76.29832 4.196994 3.834694       9.375461 
1 1 1 -10 24 5  o 80.94369 3.246549 321.9408       25.67020 272.9000       63.71949 331.4421       28.04688 73.46871 9.051773 82.10533 3.497866 -8.636620      9.704105 
1 1 1 -10 24 6  o 84.86208 3.204540 353.7990       26.57080 371.7000       68.05825 350.5798       28.86123 86.11167 8.172263 84.44364 3.499320 1.668030       8.889945 
1 1 1 -10 24 7  o 65.70717 3.557897 212.5573       22.79761 0.000000       0.000000 212.5573       22.79761 ?        ?        65.70717 3.557897 ?              ?        
1 1 1 -10 24 8  o 38.77728 4.605753 75.00285       17.14063 0.000000       0.000000 75.00285       17.14063 ?        ?        38.77728 4.605753 ?              ?        
1 1 1 -10 24 9  f 194.9435 4.186827 1868.388       79.89140 1804.000       163.3029 1888.648       91.60185 189.8939 8.809717 195.8634 4.777986 -5.969498      10.02199 
1 1 1 -10 24 10 o 98.00048 3.489547 472.1887       33.42026 0.000000       0.000000 472.1887       33.42026 ?        ?        98.00048 3.489547 ?              ?        
1 1 1 -10 24 11 o 25.06957 5.874909 32.29601       14.16313 -16.54000      50.70631 36.42849       14.75020 24.04739 10.70067 26.64626 5.818724 -2.598869      12.18039 
1 1 1 -10 24 12 o 85.86797 3.117996 362.3859       26.16322 322.9000       65.62682 369.8475       28.52834 79.93820 8.518343 86.71849 3.367323 -6.780289      9.159750 
1 1 1 -10 24 13 o 116.5050 3.215454 666.9869       36.63343 724.9000       86.74999 654.4181       40.41365 120.4461 7.393812 115.3449 3.583858 5.101250       8.216599 
1 1 1 -10 24 14 o 50.79983 3.531837 127.4400       17.45244 84.39000       55.74332 132.1185       18.37631 40.42227 12.66835 51.71228 3.653961 -11.29001      13.18478 
1 1 1 -10 24 15 o 66.58662 3.172116 218.2816       20.61539 238.6000       61.66277 215.7247       21.87407 68.11872 9.506647 66.16701 3.388681 1.951714       10.09255 
1 1 1 -10 24 16 o 38.42514 6.391753 75.28755       23.19621 44.54000       53.57936 82.37988       25.73278 32.85610 12.32186 40.14200 6.791026 -7.285904      14.06933 
1 1 1 -10 24 17 o 79.00769 4.048980 308.4128       31.20832 320.1000       64.95744 304.9056       35.58425 79.25618 8.506103 78.43690 4.655748 0.8192825      9.696896 
1 1 1 -10 24 18 o 72.88921 4.109660 262.8242       29.20200 273.1000       61.97543 259.8917       33.10759 72.93439 8.862929 72.36142 4.699698 0.5729675      10.03188 
1 1 1 -10 24 19 o 36.59692 5.417495 67.86105       18.82117 62.73000       51.97420 68.63546       20.19159 35.61607 12.28629 36.71961 5.810987 -1.103539      13.59119 
1 1 1 -10 24 20 o 127.4082 5.128106 806.6307       63.82227 731.4000       91.43821 878.1000       89.12296 120.1112 7.819982 132.1375 6.914664 -12.02634      10.43862 
1 1 1 -10 24 21 o 69.33059 4.093344 238.2843       27.65492 228.1000       60.91408 240.9284       31.03799 65.93289 9.730728 69.60437 4.581123 -3.671478      10.75517 
1 1 1 -10 24 22 o 55.36224 5.742032 154.5829       30.66479 165.5000       57.76907 150.3000       36.18322 55.29176 11.06061 54.20340 6.981829 1.088364       13.07987 
1 1 1 -10 24 23 f 93.26524 4.831391 433.4498       43.95571 384.5000       70.90742 464.0000       56.01747 86.21589 8.513289 96.05212 5.987918 -9.836227      10.40823 
1 1 1 -10 24 24 o 120.8811 3.941498 723.6985       46.57416 732.0000       90.04116 720.6661       54.41976 119.5893 7.733525 120.3587 4.627886 -0.7694702     9.012477 
1 1 1 -10 24 25 o 82.14883 4.553222 336.3536       36.46902 0.000000       0.000000 336.3536       36.46902 ?        ?        82.14883 4.553222 ?              ?        
1 1 1 -10 24 26 o 47.52893 5.795307 115.0388       26.40448 0.000000       0.000000 115.0388       26.40448 ?        ?        47.52893 5.795307 ?              ?        
1 1 1 -10 24 27 o 92.95578 3.927800 429.1189       35.65760 358.4000       73.07315 451.2211       40.85146 82.26925 9.233493 95.14999 4.398140 -12.88074      10.22746 
1 1 1 -10 24 28 o 32.27013 7.204647 55.19904       22.18075 48.73000       56.30846 56.38720       24.13189 32.69244 12.54479 32.49675 7.704474 0.1956940      14.72178 
1 1 1 -10 24 29 o 94.09501 3.849208 440.0115       35.37744 447.7000       74.53072 437.7754       40.19413 92.39737 8.330161 93.63870 4.397603 -1.241333      9.419686 
1 1 1 -10 24 30 o 19.52324 8.445677 0.1455808      29.63305 -14.81000      49.11824 8.704000       37.15677 22.87639 10.32716 22.91444 9.670468 -0.3805161E-01 14.14808 
1 1 1 -10 24 31 o 32.47956 9.337168 58.02925       31.26241 -2.025000      49.54783 97.75000       40.29595 24.28243 10.70235 41.80159 9.985612 -17.51916      14.63737 
1 1 1 -10 24 32 f 80.35965 5.294668 327.6944       41.41489 310.1000       61.37850 342.4000       56.11393 76.19063 8.367711 80.99111 7.151675 -4.800484      11.00750 
1 1 1 -10 24 33 o 30.63560 9.517011 52.13762       31.53333 -17.99000      48.52459 103.4000       41.48745 22.05078 10.07536 42.52018 10.11585 -20.46941      14.27737 
1 1 1 -10 24 34 o 20.59973 8.722609 7.336957       30.39580 -17.53000      47.18157 24.98000       39.74183 21.63872 9.905152 25.55746 10.30970 -3.918747      14.29692 
1 1 1 -10 24 35 o 29.43677 9.549433 48.67523       31.45758 7.669000       48.90319 77.62000       41.08633 24.59304 10.74160 36.09629 10.79530 -11.50324      15.22894 
1 1 1 -10 24 36 o 31.19161 9.346283 55.80410       30.77456 80.95000       48.47778 38.83000       39.82928 36.26413 11.86085 27.75659 10.57529 8.507540       15.89077 
1 1 1 -10 24 37 o 31.36382 11.81185 55.88000       49.34806 55.88000       49.34806 0.000000       0.000000 31.36382 11.81185 ?        ?        ?              ?        
1 1 1 -10 24 38 o 51.75269 7.168742 144.9078       35.34067 96.82000       51.86058 186.6000       48.28886 38.78205 12.22820 57.47408 8.868605 -18.69203      15.10566 
1 1 1 -10 24 39 o 31.01326 11.15457 56.68000       43.17470 0.000000       0.000000 56.68000       43.17470 ?        ?        31.01326 11.15457 ?              ?        
1 1 1 -10 24 40 o 37.03518 9.238270 80.81471       33.37672 23.96000       49.00731 130.0000       45.58219 26.03958 11.05295 46.37302 10.30909 -20.33344      15.11440 
1 1 1 -10 24 41 o 26.00833 9.525228 36.75290       31.67475 -29.78000      48.80836 85.16000       41.63232 20.25234 9.537689 36.77037 10.83455 -16.51802      14.43451 
1 1 1 -10 24 42 o 21.52650 8.903255 15.78649       30.56216 0.4074000      47.77455 26.44000       39.76285 22.76905 10.24001 24.86204 10.20592 -2.092991      14.45747 
1 1 1 -10 24 43 o 17.26042 7.898522 -10.82169      29.97050 -4.391000      48.78486 -14.72000      37.98343 22.27410 10.14857 18.94465 8.750039 3.329453       13.39988 
1 1 1 -10 24 44 o 17.82586 8.112955 -8.409167      31.06909 14.84000       51.40500 -21.79000      38.99808 24.62274 10.87463 18.43313 8.631537 6.189610       13.88384 
1 1 1 -10 24 45 o 26.19271 9.548425 39.17514       31.77437 38.71000       51.01289 39.47000       40.61526 27.53517 11.45544 26.82599 10.55226 0.7091808      15.57490 
1 1 1 -10 24 46 o 31.36711 9.634433 61.17795       32.42430 57.73000       51.79472 63.40000       41.57971 30.17130 11.90156 31.25278 10.97638 -1.081486      16.19037 
1 1 1 -10 24 47 o 22.61165 10.20451 2.867000       47.91562 2.867000       47.91562 0.000000       0.000000 22.61165 10.20451 ?        ?        ?              ?        
1 1 1 -10 24 48 o 20.90992 8.752518 14.65748       30.04956 58.30000       45.35081 -19.50000      40.12112 30.08768 11.32507 18.80199 8.788208 11.28569       14.33492 
1 1 1 -10 24 49 o 19.11208 8.889757 -15.91000      40.26007 0.000000       0.000000 -15.91000      40.26007 ?        ?        19.11208 8.889757 ?              ?        
1 1 1 -10 24 50 o 27.63792 9.546211 46.75375       31.38050 65.51000       46.76444 31.39000       42.32445 31.14703 11.54475 25.28320 10.46908 5.863829       15.58470 
1 1 1 -10 24 51 f 28.80807 9.587454 52.39397       31.62872 65.42000       47.82795 42.27000       42.16490 30.78544 11.62094 26.78601 10.68282 3.999428       15.78508 
1 1 1 -10 24 52 o 24.77401 10.62054 28.53000       46.05109 28.53000       46.05109 0.000000       0.000000 24.77401 10.62054 ?        ?        ?              ?        
1 1 1 -10 24 53 o 22.04830 9.032880 22.76348       31.06904 21.63000       45.30266 23.77000       42.69015 23.64456 10.33274 23.62642 10.17838 0.1813316E-01  14.50396 
1 1 1 -10 25 1  o 85.01087 3.256826 355.2223       27.05025 319.5000       64.77397 362.7681       29.77048 79.61478 8.440322 85.87593 3.549321 -6.261147      9.156240 
1 1 1 -10 25 2  o 52.85348 4.420596 138.3873       22.66042 214.9000       56.51522 123.7298       24.73589 64.93932 9.143876 49.84266 5.143950 15.09667       10.49146 
1 1 1 -10 25 3  o 36.77718 5.419686 68.12354       18.92586 125.3000       52.90363 59.73220       20.26714 48.82387 11.29461 34.22866 6.280553 14.59521       12.92337 
1 1 1 -10 25 4  f 53.86697 3.696185 143.2136       19.37057 140.7000       56.20165 143.5525       20.63494 51.74367 11.40431 53.90040 3.938334 -2.156734      12.06519 
1 1 1 -10 25 5  o 128.0171 3.390018 805.2493       42.44182 746.3000       92.67684 820.8931       47.74240 122.2017 7.788502 129.1938 3.779403 -6.992134      8.657058 
1 1 1 -10 25 6  o 129.1638 3.786003 820.6050       47.81446 0.000000       0.000000 820.6050       47.81446 ?        ?        129.1638 3.786003 ?              ?        
1 1 1 -10 25 7  o 27.04581 5.970145 37.57424       15.38129 0.000000       0.000000 37.57424       15.38129 ?        ?        27.04581 5.970145 ?              ?        
1 1 1 -10 25 8  o 124.0543 3.326703 756.2852       40.35895 711.6000       89.24692 767.7724       45.25012 119.2678 7.685676 124.9322 3.704409 -5.664490      8.531837 
1 1 1 -10 25 9  o 81.49432 3.195498 326.5945       25.44072 252.2000       64.36298 340.3700       27.69615 70.15904 9.625800 83.17075 3.409292 -13.01170      10.21172 
1 1 1 -10 25 10 o 51.21239 3.548503 129.5123       17.67797 93.83000       56.40714 133.3987       18.61581 42.29280 12.64901 51.96098 3.684036 -9.668182      13.17458 
1 1 1 -10 25 11 o 61.26094 3.358218 184.9529       20.06016 107.8000       59.48597 194.8526       21.30832 44.99950 12.86201 62.86861 3.476185 -17.86911      13.32348 
1 1 1 -10 25 12 o 18.81076 6.014364 17.18589       12.50846 -35.58000      59.72662 19.60638       12.79214 24.36214 11.14904 19.83657 6.043607 4.525578       12.68173 
1 1 1 -10 25 13 o 60.06059 3.683733 178.1508       21.55210 128.1000       56.66924 186.6142       23.30316 48.87354 11.94781 61.44390 3.894670 -12.57036      12.56657 
1 1 1 -10 25 14 o 64.59444 3.200675 205.5838       20.17382 208.1000       58.29338 205.2414       21.50252 63.31844 9.715227 64.51025 3.417485 -1.191803      10.29878 
1 1 1 -10 25 15 o 95.28790 3.074495 446.7127       28.63841 484.0000       71.75065 439.6468       31.23426 97.94010 7.542495 94.47837 3.382939 3.461731       8.266409 
1 1 1 -10 25 16 f 78.27251 3.182678 301.7812       24.33332 253.3000       62.34180 310.4949       26.42976 69.96623 9.335778 79.35887 3.410408 -9.392639      9.939198 
1 1 1 -10 25 17 o 70.80997 4.198475 248.4385       28.96932 319.8000       63.25107 229.4954       32.58826 79.07650 8.295058 67.88526 4.938095 11.19124       9.653641 
1 1 1 -10 25 18 o 26.97758 7.875249 37.57938       22.08387 32.61000       50.53944 38.75214       24.55183 30.10539 11.79236 27.50089 8.371525 2.604509       14.46175 
1 1 1 -10 25 19 o 75.38805 4.410757 282.2151       32.40563 0.000000       0.000000 282.2151       32.40563 ?        ?        75.38805 4.410757 ?              ?        
1 1 1 -10 25 20 o 69.88688 4.467918 242.9679       30.40371 267.3000       63.21861 235.6467       34.67738 71.52246 9.246327 68.62464 5.201229 2.897820       10.60883 
1 1 1 -10 25 21 o 70.62045 4.853710 249.0594       33.34735 284.3000       63.60412 235.7000       39.16140 73.78327 8.992389 68.36144 5.910492 5.421829       10.76090 
1 1 1 -10 25 22 o 18.06763 7.742412 0.4584242      24.45542 -2.036000      50.64280 1.217000       27.92750 25.05497 10.93742 19.36626 8.285786 5.688713       13.72157 
1 1 1 -10 25 23 o 84.47530 3.453277 352.9251       28.49384 391.8000       68.86167 344.8940       31.29900 87.00320 8.182091 83.40309 3.844251 3.600105       9.040181 
1 1 1 -10 25 24 o 76.23174 3.836421 288.4275       28.53449 0.000000       0.000000 288.4275       28.53449 ?        ?        76.23174 3.836421 ?              ?        
1 1 1 -10 25 25 o 89.03041 3.700548 392.9928       32.17828 0.000000       0.000000 392.9928       32.17828 ?        ?        89.03041 3.700548 ?              ?        
1 1 1 -10 25 26 o 77.05376 3.447847 294.1661       25.93861 202.8000       65.14529 311.3799       28.27671 60.29110 11.45759 79.22091 3.656417 -18.92981      12.02687 
1 1 1 -10 25 27 o 83.64530 3.377258 346.5154       27.59422 272.5000       68.17007 361.0194       30.17701 70.88873 10.11068 85.30540 3.622288 -14.41667      10.73997 
1 1 1 -10 25 28 o 81.41921 5.516646 335.4584       43.70551 275.4000       66.55245 381.0000       57.95370 71.27336 9.798676 85.98917 6.944459 -14.71581      12.00998 
1 1 1 -10 25 29 f 50.90984 7.252089 135.8641       35.11794 71.51000       55.05896 180.0000       45.59695 36.00533 12.63198 58.20642 8.232642 -22.20109      15.07791 
1 1 1 -10 25 30 f 61.03175 6.078339 191.4201       35.82948 141.6000       54.76616 228.7000       47.37477 49.45083 11.52801 66.00043 7.464042 -16.54959      13.73342 
1 1 1 -10 25 31 o 17.63979 7.910785 -8.583172      28.28953 31.48000       44.93423 -34.89000      36.41153 27.74889 11.04081 17.26485 8.163178 10.48404       13.73088 
1 1 1 -10 25 32 o 32.98951 9.263883 61.33089       31.13687 52.76000       49.48035 66.95000       40.06388 31.61097 11.84400 34.08918 10.74773 -2.478210      15.99356 
1 1 1 -10 25 33 o 17.19345 7.877253 -14.93831      29.92776 -112.9000      47.22258 50.82000       38.68983 15.27354 7.633170 30.28737 10.59173 -15.01383      13.05565 
1 1 1 -10 25 34 f 31.45400 9.389763 56.66659       31.10579 27.23000       48.71505 76.93000       40.41808 27.06195 11.22099 35.91922 10.69875 -8.857275      15.50399 
1 1 1 -10 25 35 o 38.66083 8.842007 85.09254       32.73128 68.79000       50.21017 97.14000       43.16303 33.80661 12.04420 40.12630 10.76664 -6.319698      16.15498 
1 1 1 -10 25 36 o 33.77567 11.99489 69.61000       49.76308 69.61000       49.76308 0.000000       0.000000 33.77567 11.99489 ?        ?        ?              ?        
1 1 1 -10 25 37 o 16.33737 7.608375 -19.93479      29.63150 0.2403000      46.02245 -34.22000      38.72625 22.82657 10.17362 17.62455 8.358400 5.202024       13.16683 
1 1 1 -10 25 38 o 40.04717 11.03687 99.80000       44.64889 0.000000       0.000000 99.80000       44.64889 ?        ?        40.04717 11.03687 ?              ?        
1 1 1 -10 25 39 o 38.97064 8.965942 88.56103       33.48914 64.79000       49.12476 109.2000       45.77417 32.35183 11.86005 41.71655 11.03981 -9.364727      16.20303 
1 1 1 -10 25 40 o 15.52424 7.343906 -26.08521      29.53991 -12.24000      46.32898 -35.57000      38.34571 21.26473 9.764140 17.23363 8.213941 4.031101       12.75959 
1 1 1 -10 25 41 o 30.74925 9.489931 56.90903       31.41330 73.29000       50.01897 46.24000       40.36708 33.45155 12.00934 28.35778 10.68236 5.093767       16.07287 
1 1 1 -10 25 42 o 35.83466 9.243042 77.70800       32.63299 75.09000       51.80664 79.43000       42.01619 33.36115 12.18757 34.91636 11.00621 -1.555210      16.42174 
1 1 1 -10 25 43 f 47.35521 7.961603 128.1028       35.59601 80.60000       56.21386 159.9000       45.99158 33.92459 12.64160 51.57174 9.459365 -17.64715      15.78891 
1 1 1 -10 25 44 o 20.39564 8.721881 9.984500       30.91678 -0.8975000     49.79728 16.81000       39.43833 22.66514 10.29808 23.03367 9.850427 -0.3685284     14.25066 
1 1 1 -10 25 45 o 25.64625 9.524229 37.26116       31.85612 70.86000       52.61790 17.82000       40.02511 32.21795 12.18288 23.17484 9.917417 9.043108       15.70916 
1 1 1 -10 25 46 o 34.73760 12.15557 85.20000       50.96297 85.20000       50.96297 0.000000       0.000000 34.73760 12.15557 ?        ?        ?              ?        
1 1 1 -10 25 47 o 22.19460 8.996583 21.43723       30.42794 -1.171000      45.92325 39.13000       40.62536 21.79367 9.897113 26.51480 10.51480 -4.721127      14.44001 
1 1 1 -10 25 48 o 25.14099 10.42886 30.46000       42.10454 0.000000       0.000000 30.46000       42.10454 ?        ?        25.14099 10.42886 ?              ?        
1 1 1 -10 25 49 o 18.20910 8.139642 -1.365348      29.68884 -9.457000      44.29270 5.236000       40.00644 20.53533 9.471917 21.32137 9.495179 -0.7860470     13.41177 
1 1 1 -10 25 50 o 25.17817 9.340112 36.97093       30.62077 40.98000       45.79840 33.73000       41.17780 26.76821 10.96682 25.31522 10.38827 1.452988       15.10587 
1 1 1 -10 25 51 f 25.15995 9.403690 37.59435       31.15172 60.39000       46.51163 19.05000       41.95090 29.61372 11.39163 23.06098 10.01215 6.552744       15.16615 
1 1 1 -10 25 52 o 25.14406 9.395875 38.37849       31.09683 42.34000       46.77192 35.24000       41.63080 26.47601 10.98796 25.12497 10.39133 1.351036       15.12332 
1 1 1 -10 26 1  o 81.42769 3.767689 326.7408       29.94846 407.0000       67.11588 306.7872       33.46484 89.99259 7.692960 78.80455 4.355355 11.18804       8.840292 
1 1 1 -10 26 2  o 134.7108 5.112164 897.2449       67.28599 983.2000       102.4300 832.0000       89.24106 140.2236 7.489943 129.1061 7.088946 11.11751       10.31273 
1 1 1 -10 26 3  o 59.73426 3.524600 175.9755       20.51658 210.7000       58.23824 171.0553       21.92196 63.97598 9.595645 58.84983 3.826389 5.126148       10.33042 
1 1 1 -10 26 4  o 61.25797 3.734727 185.2191       22.28737 0.000000       0.000000 185.2191       22.28737 ?        ?        61.25797 3.734727 ?              ?        
1 1 1 -10 26 5  o 51.48298 3.990293 131.2202       19.95140 0.000000       0.000000 131.2202       19.95140 ?        ?        51.48298 3.990293 ?              ?        
1 1 1 -10 26 6  o 37.54956 4.536494 70.50944       16.33611 43.52000       55.06541 73.11406       17.10622 32.98842 12.46551 38.22293 4.668985 -5.234509      13.31122 
1 1 1 -10 26 7  o 66.68271 3.348746 219.0795       21.78761 210.0000       62.23928 220.3475       23.25930 63.51678 10.36817 66.84598 3.567724 -3.329197      10.96484 
1 1 1 -10 26 8  o 33.33949 4.988409 56.09619       15.77941 -47.76000      53.59953 65.95134       16.51111 21.73882 10.15985 36.24730 4.769255 -14.50849      11.22356 
1 1 1 -10 26 9  o 53.79927 3.609080 143.0284       18.89554 150.3000       59.13967 142.2017       19.94076 53.03310 11.70644 53.61111 3.825104 -0.5780106     12.31552 
1 1 1 -10 26 10 f 31.26233 7.659308 50.91076       23.25036 -24.84000      55.96872 66.70959       25.56021 24.34527 11.00387 35.85724 7.522923 -11.51197      13.32965 
1 1 1 -10 26 11 o 30.04904 4.891011 45.76849       13.89154 -21.20000      53.85291 50.54221       14.37813 24.14698 10.86478 31.63090 4.793993 -7.483915      11.87543 
1 1 1 -10 26 12 o 81.12312 3.130511 324.0076       24.81134 335.2000       65.51324 322.1334       26.80828 81.07262 8.376066 80.84547 3.395275 0.2271576      9.038052 
1 1 1 -10 26 13 o 36.20649 4.472287 65.73133       15.51317 0.000000       0.000000 65.73133       15.51317 ?        ?        36.20649 4.472287 ?              ?        
1 1 1 -10 26 14 o 60.33625 3.689359 180.0632       21.68474 123.4000       56.39028 189.8965       23.49108 47.58284 12.08598 61.93118 3.894865 -14.34834      12.69807 
1 1 1 -10 26 15 o 55.72779 3.513078 153.5878       19.06559 59.25000       53.36125 167.3932       20.41300 35.00792 12.42212 58.17271 3.602613 -23.16479      12.93398 
1 1 1 -10 26 16 o 72.88008 3.229354 261.9908       22.98005 227.7000       60.69289 267.7294       24.82857 65.88976 9.700531 73.63445 3.454433 -7.744690      10.29725 
1 1 1 -10 26 17 o 25.95846 8.160560 34.16146       23.11321 18.31000       53.06641 37.87260       25.67669 28.33751 11.72714 27.28074 8.604588 1.056774       14.54526 
1 1 1 -10 26 18 o 90.80599 4.013404 408.5508       35.58438 450.9000       71.97787 394.8521       40.93705 93.80242 7.913057 89.06139 4.712698 4.741035       9.210102 
1 1 1 -10 26 19 o 36.91710 7.461779 71.49735       26.03502 98.60000       54.67370 63.54942       29.60736 42.12633 12.41698 34.48991 8.755919 7.636414       15.19367 
1 1 1 -10 26 20 o 31.07713 6.688060 50.52253       19.74122 57.89000       53.96775 49.38441       21.21128 34.35930 12.45595 30.61843 7.199335 3.740866       14.38684 
1 1 1 -10 26 21 o 27.45708 7.546000 39.71651       20.90438 116.1000       54.14642 26.33728       22.66134 45.46645 11.99526 23.50760 8.112627 21.95885       14.48106 
1 1 1 -10 26 22 o 109.8449 3.925419 598.5122       42.13794 578.0000       81.87634 605.9028       49.14628 105.7750 7.966597 110.2643 4.563406 -4.489304      9.181031 
1 1 1 -10 26 23 o 120.6509 3.861575 722.0001       45.54509 0.000000       0.000000 722.0001       45.54509 ?        ?        120.6509 3.861575 ?              ?        
1 1 1 -10 26 24 o 48.12021 4.544307 116.3452       21.15081 52.08000       58.51319 126.0042       22.68467 33.45734 12.80064 50.05451 4.684440 -16.59717      13.63086 
1 1 1 -10 26 25 o 67.53522 3.612341 226.4838       23.79262 297.2000       65.76896 215.8355       25.52114 74.69031 9.189516 65.82230 3.979738 8.868004       10.01427 
1 1 1 -10 26 26 o 182.5648 4.086656 1657.456       73.02831 1574.000       150.1821 1683.300       83.57446 172.6662 8.916168 183.4945 4.656884 -10.82834      10.05906 
1 1 1 -10 26 27 o 76.60051 5.644508 297.8970       42.02454 206.4000       63.15581 370.6000       56.29711 60.65564 11.04417 84.79014 6.841236 -24.13450      12.99139 
1 1 1 -10 26 28 f 32.35212 9.448856 57.64904       31.78415 23.06000       51.52966 78.89000       40.38081 27.80930 11.53659 37.33804 10.57241 -9.528736      15.64829 
1 1 1 -10 26 29 o 21.23443 8.773759 10.99402       29.63961 -3.354000      47.97727 19.85000       37.69276 23.60910 10.46253 24.61563 10.00021 -1.006535      14.47303 
1 1 1 -10 26 30 f 70.33363 5.567962 253.0998       38.01982 266.3000       57.91074 243.1000       50.40380 70.12621 8.617689 67.57644 7.760818 2.549767       11.59719 
1 1 1 -10 26 31 o 33.24705 9.337553 62.69067       31.63166 -25.96000      47.61873 132.7000       42.31699 20.96452 9.722830 48.70114 9.214467 -27.73661      13.39551 
1 1 1 -10 26 32 o 48.72302 7.308632 127.7475       33.78198 92.16000       52.19604 153.4000       44.31535 38.47692 12.28414 52.35537 8.969957 -13.87845      15.21053 
1 1 1 -10 26 33 o 33.74329 9.149731 65.37773       30.97510 85.81000       50.63596 53.16000       39.15579 37.15931 12.11997 30.59406 10.65822 6.565254       16.13975 
1 1 1 -10 26 34 o 36.89803 12.18733 85.82000       51.13407 85.82000       51.13407 0.000000       0.000000 36.89803 12.18733 ?        ?        ?              ?        
1 1 1 -10 26 35 o 68.61250 5.865287 245.7551       39.01374 235.3000       58.36464 254.2000       52.45484 63.96167 9.619938 68.00336 8.035441 -4.041691      12.53441 
1 1 1 -10 26 36 o 45.60847 7.770159 115.0594       33.44584 106.3000       51.15398 121.6000       44.20287 40.65237 12.01799 45.07667 10.25073 -4.424305      15.79587 
1 1 1 -10 26 37 f 40.33971 10.96610 101.3000       44.42743 0.000000       0.000000 101.3000       44.42743 ?        ?        40.33971 10.96610 ?              ?        
1 1 1 -10 26 38 o 42.66578 8.302217 103.4987       33.42394 99.34000       50.67979 106.7000       44.46482 38.84171 12.06498 41.33131 10.85382 -2.489605      16.22865 
1 1 1 -10 26 39 o 58.14575 6.526550 181.7362       36.50518 199.7000       57.77721 169.8000       47.09678 56.98323 10.75278 53.89225 9.261805 3.090977       14.19166 
1 1 1 -10 26 40 o 28.36992 9.552459 47.62796       31.38704 72.28000       49.86297 31.45000       40.39370 33.19426 11.98119 25.68049 10.38155 7.513777       15.85325 
1 1 1 -10 26 41 o 43.42072 8.311173 109.1631       34.03744 135.4000       54.37677 92.26000       43.64565 44.54694 12.14125 37.47583 11.10666 7.071106       16.45502 
1 1 1 -10 26 42 o 17.60450 8.027763 -8.910555      30.60769 -0.6634000     49.91562 -13.88000      38.74703 22.68443 10.30821 19.11509 8.831879 3.569345       13.57428 
1 1 1 -10 26 43 o 18.52944 8.296165 -2.531665      30.97478 -24.37000      50.45144 10.68000       39.24122 20.64844 9.715747 22.11829 9.642101 -1.469845      13.68816 
1 1 1 -10 26 44 f 19.92442 8.613432 7.753724       30.78070 -45.61000      50.71280 38.88000       38.73095 19.06379 9.180668 26.38603 10.32682 -7.322241      13.81767 
1 1 1 -10 26 45 o 25.69188 10.93833 29.11000       48.24646 29.11000       48.24646 0.000000       0.000000 25.69188 10.93833 ?        ?        ?              ?        
1 1 1 -10 26 46 o 62.24820 6.122604 209.1490       36.82292 172.0000       54.19775 241.0000       50.18446 51.28013 11.11861 64.71449 8.099364 -13.43436      13.75585 
1 1 1 -10 26 47 o 34.08720 11.20579 79.14000       43.24754 0.000000       0.000000 79.14000       43.24754 ?        ?        34.08720 11.20579 ?              ?        
1 1 1 -10 26 48 o 32.19458 9.539052 65.52679       32.19799 13.34000       47.73215 109.1000       43.61547 23.48332 10.41973 40.51376 10.80167 -17.03044      15.00822 
1 1 1 -10 26 49 o 31.11695 9.571772 61.85254       31.98928 49.66000       47.47710 71.99000       43.29140 28.14067 11.29753 32.23600 11.20837 -4.095324      15.91420 
1 1 1 -10 26 50 o 34.50807 9.243944 75.50729       31.84963 68.16000       47.05367 81.72000       43.26839 30.94580 11.55904 33.95925 11.21061 -3.013445      16.10246 
1 1 1 -10 26 51 o 26.70584 9.516274 45.53316       31.34657 8.293000       45.75214 78.48000       43.03409 22.05180 9.959835 32.88437 11.18461 -10.83256      14.97644 
1 1 1 -10 27 1  o 130.4578 5.003088 843.0093       63.76886 825.5000       94.94315 857.4000       86.07344 128.0972 7.606371 130.9368 6.738518 -2.839630      10.16191 
1 1 1 -10 27 2  o 76.64143 3.662146 289.7724       27.39347 396.3000       65.32765 267.0451       30.17446 88.59534 7.606767 73.47138 4.213472 15.12396       8.695760 
1 1 1 -10 27 3  o 164.9973 4.323925 1344.032       69.77293 0.000000       0.000000 1344.032       69.77293 ?        ?        164.9973 4.323925 ?              ?        
1 1 1 -10 27 4  o 75.17222 3.562794 278.7078       26.14066 0.000000       0.000000 278.7078       26.14066 ?        ?        75.17222 3.562794 ?              ?        
1 1 1 -10 27 5  o 24.58938 6.175488 31.25282       14.84127 -23.02000      52.46711 35.97311       15.47322 23.60511 10.66315 26.37860 6.112489 -2.773483      12.29086 
1 1 1 -10 27 6  o 101.5712 3.227901 507.8029       32.05125 419.3000       73.37234 528.6736       35.63055 90.79039 8.349762 103.5843 3.519277 -12.79393      9.061117 
1 1 1 -10 27 7  o 42.99969 4.058497 91.97431       16.87985 134.0000       54.59969 87.53310       17.74937 49.93006 11.42038 41.87984 4.395252 8.050220       12.23697 
1 1 1 -10 27 8  o 113.6279 3.270984 635.6533       36.34271 589.8000       81.57623 647.0076       40.59373 107.9718 7.770723 114.5622 3.624585 -6.590340      8.574483 
1 1 1 -10 27 9  o 83.21009 3.193710 341.0737       25.96394 280.4000       64.74384 352.7013       28.34285 73.67596 9.176050 84.57684 3.430743 -10.90088      9.796423 
1 1 1 -10 27 10 o 67.47126 3.255877 224.5272       21.43924 286.2000       61.96086 216.1392       22.85073 74.61082 8.643905 66.14890 3.542075 8.461929       9.341487 
1 1 1 -10 27 11 o 50.65979 3.582825 127.0792       17.65162 138.3000       56.52925 125.8669       18.58069 50.45377 11.67771 50.38058 3.795756 0.7318497E-01  12.27912 
1 1 1 -10 27 12 o 65.53746 3.309470 212.0099       21.16150 148.8000       59.62499 221.1193       22.63502 52.21045 11.92892 66.90661 3.468092 -14.69616      12.42283 
1 1 1 -10 27 13 o 20.23347 5.993210 20.77242       12.71134 -19.02000      49.83413 23.54157       13.14619 23.15164 10.43121 21.40901 6.022094 1.742636       12.04474 
1 1 1 -10 27 14 o 98.86822 3.177471 481.8367       30.71003 496.5000       73.90588 478.7765       33.76287 98.67569 7.713023 98.47655 3.508284 0.1991348      8.473416 
1 1 1 -10 27 15 o 30.59876 5.127407 47.79867       14.81425 0.000000       0.000000 47.79867       14.81425 ?        ?        30.59876 5.127407 ?              ?        
1 1 1 -10 27 16 f 110.6564 3.710452 605.5870       40.13239 575.9000       80.39980 615.4385       46.31500 106.0392 7.800683 111.3714 4.256394 -5.332207      8.886368 
1 1 1 -10 27 17 f 80.75329 3.225275 322.0070       25.44243 281.2000       64.81898 329.4391       27.66247 73.13537 9.261971 81.62463 3.470209 -8.489265      9.890725 
1 1 1 -10 27 18 o 58.92184 5.315114 174.7776       30.32534 209.7000       60.12962 162.8651       35.11872 62.48045 10.18224 56.48484 6.468386 5.995609       12.06309 
1 1 1 -10 27 19 o 70.12038 5.855635 248.5622       39.82401 233.1000       62.03714 259.4000       51.93829 66.00024 9.908532 70.88961 7.603809 -4.889366      12.48987 
1 1 1 -10 27 20 o 62.22787 3.733158 192.3287       22.63425 220.6000       60.89751 187.7971       24.38085 63.97564 10.05618 61.40057 4.079816 2.575073       10.85227 
1 1 1 -10 27 21 f 47.32487 5.599669 113.9457       25.43734 0.000000       0.000000 113.9457       25.43734 ?        ?        47.32487 5.599669 ?              ?        
1 1 1 -10 27 22 o 24.51776 8.259475 29.85507       23.46515 0.000000       0.000000 29.85507       23.46515 ?        ?        24.51776 8.259475 ?              ?        
1 1 1 -10 27 23 o 68.30114 3.686237 231.7956       24.55304 185.4000       62.47554 240.2704       26.70151 57.42110 11.51667 69.46751 3.943074 -12.04641      12.17298 
1 1 1 -10 27 24 o 53.92924 4.150199 145.5100       21.73944 152.4000       59.45546 144.4467       23.35677 51.48796 12.01726 53.63167 4.490418 -2.143711      12.82881 
1 1 1 -10 27 25 o 51.29183 4.176347 131.8539       20.78641 156.1000       58.91208 128.4061       22.21519 52.08325 11.82667 50.50445 4.542280 1.578800       12.66895 
1 1 1 -10 27 26 o 113.0087 3.996515 636.3906       44.13828 553.4000       81.03891 671.3932       52.62952 102.5299 8.141699 115.7120 4.656209 -13.18212      9.379102 
1 1 1 -10 27 27 o 52.69068 6.953918 145.4765       34.99021 124.0000       53.91928 161.1000       45.98879 45.86853 11.90663 54.38848 8.949517 -8.519955      14.89502 
1 1 1 -10 27 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 27 29 o 52.59154 6.688638 145.4391       33.65391 183.1000       52.69709 119.5000       43.73396 57.04078 9.790812 45.68737 10.05287 11.35341       14.03282 
1 1 1 -10 27 30 o 24.91576 9.311414 29.65360       30.54168 -11.01000      46.75937 59.91000       40.33428 22.12929 10.02460 32.26946 10.82845 -10.14017      14.75628 
1 1 1 -10 27 31 o 54.12211 6.762206 155.5608       35.04408 131.6000       53.55747 173.5000       46.34162 46.16965 11.80614 55.79675 8.774435 -9.627102      14.70971 
1 1 1 -10 27 32 f 51.03550 6.942045 139.4665       33.78077 116.6000       52.14777 156.0000       44.34223 43.10743 11.94613 52.63984 8.924367 -9.532406      14.91155 
1 1 1 -10 27 33 o 29.76009 11.59552 47.13000       48.65518 47.13000       48.65518 0.000000       0.000000 29.76009 11.59552 ?        ?        ?              ?        
1 1 1 -10 27 34 o 35.61138 9.339059 74.32014       32.94890 49.42000       49.37543 94.31000       44.23997 30.07529 11.69156 39.00580 11.07334 -8.930511      16.10315 
1 1 1 -10 27 35 o 51.75242 9.535055 155.8000       46.52224 0.000000       0.000000 155.8000       46.52224 ?        ?        51.75242 9.535055 ?              ?        
1 1 1 -10 27 36 o 22.43325 9.795727 7.266000       40.64703 0.000000       0.000000 7.266000       40.64703 ?        ?        22.43325 9.795727 ?              ?        
1 1 1 -10 27 37 o 24.51552 9.288777 30.37079       30.62382 40.95000       46.01542 21.96000       41.02940 28.02988 11.16621 24.47463 10.23475 3.555252       15.14709 
1 1 1 -10 27 38 o 23.98681 9.205895 28.47045       30.32714 13.28000       48.09094 38.50000       39.07677 24.30055 10.63208 26.88134 10.41454 -2.580786      14.88300 
1 1 1 -10 27 39 f 68.98905 5.872032 252.1586       39.27640 212.0000       60.38885 281.6000       51.70675 58.07122 11.02719 71.24744 7.528030 -13.17622      13.35179 
1 1 1 -10 27 40 o 26.13701 9.493122 39.09527       31.36700 10.12000       51.17657 56.53000       39.69768 24.04362 10.72133 30.02502 10.70804 -5.981405      15.15286 
1 1 1 -10 27 41 o 73.55212 5.840678 288.0818       41.70482 311.0000       65.68127 272.6000       53.98354 71.87659 9.573574 69.01149 8.148560 2.865105       12.57189 
1 1 1 -10 27 42 o 35.95350 9.399883 79.48684       33.44659 120.7000       54.68110 54.85000       42.27774 41.22412 12.48198 29.57192 10.97397 11.65220       16.62011 
1 1 1 -10 27 43 o 23.48143 9.276528 27.29651       31.50912 15.45000       50.43570 34.88000       40.35316 24.30039 10.75011 25.77562 10.39189 -1.475227      14.95179 
1 1 1 -10 27 44 o 23.46958 10.39174 12.52000       47.23045 12.52000       47.23045 0.000000       0.000000 23.46958 10.39174 ?        ?        ?              ?        
1 1 1 -10 27 45 o 30.83812 9.558364 59.60682       31.82814 56.90000       48.73503 61.62000       42.02932 29.70751 11.59643 30.62547 11.00680 -0.9179649     15.98833 
1 1 1 -10 27 46 o 19.02393 8.855712 -15.98000      40.07558 0.000000       0.000000 -15.98000      40.07558 ?        ?        19.02393 8.855712 ?              ?        
1 1 1 -10 27 47 o 24.54169 9.299973 33.72669       30.70020 42.31000       45.45988 26.53000       41.62625 27.05931 10.98625 24.35125 10.25393 2.708057       15.02800 
1 1 1 -10 27 48 o 16.28446 7.593093 -15.89745      29.65790 -44.63000      43.99947 8.027000       40.14961 17.44314 8.437383 21.51354 9.550445 -4.070406      12.74364 
1 1 1 -10 27 49 o 27.86762 9.509833 49.41886       31.11518 48.37000       46.04994 50.30000       42.20772 27.60385 11.11097 27.85840 10.81528 -0.2545528     15.50561 
1 1 1 -10 27 50 o 20.69693 8.727731 16.36352       30.22677 4.310000       44.38344 26.79000       41.27936 21.40473 9.724139 23.76042 10.11695 -2.355690      14.03252 
1 1 1 -10 28 1  o 81.13873 3.285304 324.5468       26.03820 367.2000       66.62076 316.8564       28.28832 84.81935 8.123486 80.10862 3.616958 4.710732       8.892323 
1 1 1 -10 28 2  f 48.76711 4.724114 118.8174       22.26826 0.000000       0.000000 118.8174       22.26826 ?        ?        48.76711 4.724114 ?              ?        
1 1 1 -10 28 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 28 4  o 41.26359 4.361104 85.08426       17.34827 157.8000       53.69226 76.60803       18.33152 54.43317 10.45719 39.01916 4.908037 15.41401       11.55169 
1 1 1 -10 28 5  f 93.75923 3.246581 433.1946       29.75026 419.8000       70.77791 436.0691       32.78735 90.71912 8.054256 94.00320 3.569828 -3.284081      8.809922 
1 1 1 -10 28 6  o 105.8938 3.259672 552.5191       33.74686 580.1000       79.81386 546.5148       37.23939 106.9058 7.678442 105.2337 3.620671 1.672142       8.489272 
1 1 1 -10 28 7  o 92.48438 3.205199 421.5258       28.97161 411.1000       70.73915 423.6270       31.75719 89.66544 8.148793 92.65170 3.508065 -2.986259      8.871829 
1 1 1 -10 28 8  o 86.31650 3.233698 367.3492       27.27288 403.3000       68.88986 360.6674       29.69939 88.82450 8.009436 85.46029 3.558181 3.364212       8.764229 
1 1 1 -10 28 9  o 131.4429 3.405004 852.0086       43.77187 847.1000       96.37786 853.2842       49.13134 129.1059 7.660938 131.4120 3.823663 -2.306046      8.562147 
1 1 1 -10 28 10 o 18.39086 6.302265 15.65221       13.66842 -92.23000      49.91502 24.39752       14.21163 17.50278 8.579985 21.81220 6.303088 -4.309427      10.64636 
1 1 1 -10 28 11 f 65.36769 3.331795 211.1578       21.24774 170.9000       57.89247 217.4249       22.84181 56.18689 10.91992 66.29377 3.532829 -10.10688      11.47717 
1 1 1 -10 28 12 o 62.21031 3.374857 191.4183       20.47362 177.2000       58.35382 193.4142       21.86347 57.19455 10.81958 62.49197 3.589381 -5.297421      11.39943 
1 1 1 -10 28 13 o 18.81771 6.058331 17.39069       12.67625 23.14000       50.94666 17.01127       13.08785 28.42008 11.59610 18.74659 6.164563 9.673492       13.13283 
1 1 1 -10 28 14 o 19.79870 6.053672 19.79442       12.81975 88.97000       51.27016 15.18102       13.24034 40.11303 12.07359 18.08094 6.202577 22.03209       13.57364 
1 1 1 -10 28 15 o 112.6584 3.315959 626.7865       36.52632 477.8000       78.79579 667.5639       41.22297 95.95288 8.476640 116.1656 3.629850 -20.21275      9.221129 
1 1 1 -10 28 16 o 56.63812 3.587818 159.1764       19.78826 106.3000       57.16588 166.3748       21.09224 43.31953 12.67748 57.87496 3.743361 -14.55543      13.21859 
1 1 1 -10 28 17 o 45.10770 4.808766 102.5211       20.90499 0.000000       0.000000 102.5211       20.90499 ?        ?        45.10770 4.808766 ?              ?        
1 1 1 -10 28 18 o 20.12663 8.756302 -1.756186      32.22548 -2.332000      52.63842 -1.411000      40.75565 25.25268 11.08392 22.54336 9.826920 2.709312       14.81289 
1 1 1 -10 28 19 o 113.0422 4.088607 635.3184       45.16545 682.7000       85.95470 617.2463       53.08459 114.9646 7.682437 111.0455 4.895872 3.919029       9.109853 
1 1 1 -10 28 20 o 51.07803 4.575994 131.0800       22.63626 0.000000       0.000000 131.0800       22.63626 ?        ?        51.07803 4.575994 ?              ?        
1 1 1 -10 28 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 28 22 o 48.13211 5.295666 117.7697       24.53776 112.4000       56.59737 119.0126       27.22999 43.87213 12.54779 48.17812 5.896989 -4.305996      13.86439 
1 1 1 -10 28 23 o 59.69950 3.976079 178.0043       23.10200 186.5000       60.13635 176.5334       25.02203 57.53359 11.08042 59.33848 4.338013 -1.804893      11.89933 
1 1 1 -10 28 24 o 116.4273 3.391382 672.1242       38.60777 570.9000       83.74258 699.4465       43.50734 103.9860 8.296191 118.6005 3.752466 -14.61444      9.105371 
1 1 1 -10 28 25 o 62.35046 3.706746 193.9252       22.52030 141.2000       56.93715 203.7035       24.51980 48.97471 11.97813 63.82973 3.943791 -14.85501      12.61068 
1 1 1 -10 28 26 o 94.61208 5.149577 453.7220       47.50990 425.9000       70.72600 476.6000       64.13482 89.36788 8.175686 95.69308 6.893300 -6.325203      10.69390 
1 1 1 -10 28 27 o 69.72493 5.744815 249.9367       38.86008 171.3000       56.19571 322.0000       53.79573 54.31009 10.94950 78.24345 7.101416 -23.93336      13.05074 
1 1 1 -10 28 28 f 22.68578 9.054482 19.02706       30.31359 5.475000       47.00006 28.68000       39.66665 24.08232 10.52427 26.12915 10.38093 -2.046829      14.78256 
1 1 1 -10 28 29 o 24.67846 9.266053 29.18962       30.31859 6.882000       47.11129 44.96000       39.61133 24.09692 10.53356 28.96084 10.64443 -4.863920      14.97530 
1 1 1 -10 28 30 o 48.03762 7.309684 124.7458       33.28814 131.0000       52.34867 120.5000       43.13178 46.12194 11.60648 45.43689 9.972238 0.6850471      15.30215 
1 1 1 -10 28 31 o 61.99205 6.144334 201.8151       36.79350 192.2000       55.82438 209.2000       48.92356 57.15434 10.35995 61.44643 8.350064 -4.292084      13.30609 
1 1 1 -10 28 32 o 42.10183 11.79342 112.4000       50.52860 112.4000       50.52860 0.000000       0.000000 42.10183 11.79342 ?        ?        ?              ?        
1 1 1 -10 28 33 o 67.13615 5.825994 235.8813       37.90671 225.5000       55.27259 245.1000       52.08561 62.69006 9.288090 66.44868 8.180495 -3.758614      12.37696 
1 1 1 -10 28 34 o 35.66888 11.22583 79.98000       43.72594 0.000000       0.000000 79.98000       43.72594 ?        ?        35.66888 11.22583 ?              ?        
1 1 1 -10 28 35 f 22.14754 8.955005 19.14395       30.06157 0.9677000      44.39127 34.54000       40.85546 22.32015 9.966881 26.48740 10.53141 -4.167244      14.49998 
1 1 1 -10 28 36 o 20.54690 8.650717 11.21490       29.62039 9.996000       44.18203 12.21000       39.92049 23.27880 10.18779 22.80208 9.833107 0.4767208      14.15913 
1 1 1 -10 28 37 o 27.63656 9.412255 44.46579       30.47743 18.07000       47.20078 63.34000       39.91317 24.70707 10.67358 31.83853 10.77201 -7.131468      15.16449 
1 1 1 -10 28 38 o 36.42111 8.986828 79.32143       31.83855 51.15000       49.49297 99.21000       41.58539 29.40108 11.62275 39.51283 10.55294 -10.11175      15.69882 
1 1 1 -10 28 39 o 30.14331 9.653959 56.02063       32.21795 27.81000       51.72794 73.90000       41.18081 26.10741 11.22515 33.58972 10.92821 -7.482309      15.66620 
1 1 1 -10 28 40 f 25.41439 9.475866 36.35673       31.59370 72.55000       51.45903 14.46000       40.02555 32.49978 12.09817 22.68696 9.814922 9.812822       15.57878 
1 1 1 -10 28 41 o 24.75597 9.412285 33.22952       31.50934 61.00000       51.52502 16.64000       39.82387 30.63445 11.93362 22.97743 9.863835 7.657015       15.48246 
1 1 1 -10 28 42 o 15.37146 7.331748 -28.95917      30.66721 6.687000       49.71836 -50.85000      38.96202 23.19740 10.43829 15.95323 7.768098 7.244180       13.01158 
1 1 1 -10 28 43 o 33.15304 12.11059 77.77000       51.15276 77.77000       51.15276 0.000000       0.000000 33.15304 12.11059 ?        ?        ?              ?        
1 1 1 -10 28 44 o 44.83703 10.55849 130.1000       45.56780 0.000000       0.000000 130.1000       45.56780 ?        ?        44.83703 10.55849 ?              ?        
1 1 1 -10 28 45 o 25.00362 9.383461 35.58059       31.08352 35.87000       47.26266 35.36000       41.26310 26.28800 10.98829 25.72176 10.45811 0.5662327      15.16953 
1 1 1 -10 28 46 o 20.75717 8.744746 14.61211       30.29815 17.03000       45.39649 12.67000       40.68566 23.51123 10.30718 22.26936 9.760390 1.241869       14.19518 
1 1 1 -10 28 47 o 38.80820 8.758968 91.99300       32.48016 139.7000       48.61549 53.53000       43.65211 45.48790 11.03328 28.62255 11.02922 16.86535       15.60055 
1 1 1 -10 28 48 o 20.95935 8.799858 16.75870       30.51697 -64.83000      44.70887 87.93000       41.75718 16.23645 7.991282 35.45748 10.94109 -19.22103      13.54873 
1 1 1 -10 28 49 o 22.11429 8.963540 24.34219       30.20294 49.31000       44.94793 3.788000       40.78211 27.33314 10.98586 20.73906 9.381629 6.594084       14.44660 
1 1 1 -10 29 1  o 94.45441 3.575973 440.8015       33.00180 0.000000       0.000000 440.8015       33.00180 ?        ?        94.45441 3.575973 ?              ?        
1 1 1 -10 29 2  o 44.96024 4.197334 100.8811       18.25830 211.9000       58.15176 88.73985       19.23079 63.33718 9.687286 42.02248 4.758970 21.31470       10.79311 
1 1 1 -10 29 3  o 84.59802 3.666639 353.9418       30.29020 454.3000       70.40698 331.1481       33.55414 94.28703 7.695703 81.68719 4.210698 12.59985       8.772332 
1 1 1 -10 29 4  o 54.87282 4.215741 149.9162       22.46974 50.87000       55.70322 169.1649       24.55626 33.53774 12.56656 58.28054 4.335656 -24.74279      13.29347 
1 1 1 -10 29 5  f 59.87409 3.551780 177.5236       20.72218 209.7000       58.38316 172.8858       22.16534 62.88034 9.805385 59.02194 3.857816 3.858398       10.53700 
1 1 1 -10 29 6  o 33.35830 5.004366 56.54319       15.83674 208.0000       55.53809 43.13810       16.52272 62.81295 9.314880 28.82141 6.049880 33.99153       11.10712 
1 1 1 -10 29 7  o 30.50583 5.305538 47.69281       15.26739 47.26000       52.08177 47.73350       15.96893 32.38995 12.14814 30.45857 5.561090 1.931379       13.36050 
1 1 1 -10 29 8  o 16.00531 6.142009 8.925015       13.49858 55.71000       51.13349 5.420372       13.99504 33.71608 12.13763 15.14913 6.115529 18.56694       13.59124 
1 1 1 -10 29 9  o 60.63928 3.508311 182.1458       20.73482 112.4000       55.96536 193.2427       22.32347 44.74003 12.36692 62.43052 3.669251 -17.69049      12.89977 
1 1 1 -10 29 10 o 75.09558 3.328674 278.7686       24.40682 272.3000       62.00152 279.9547       26.55049 72.03609 8.988200 75.18789 3.618220 -3.151802      9.689131 
1 1 1 -10 29 11 o 51.55402 3.792808 132.1694       19.00548 75.39000       54.99653 139.8697       20.25327 37.47097 12.64473 53.01171 3.931142 -15.54074      13.24172 
1 1 1 -10 29 12 o 81.27071 3.256290 326.4179       25.85135 223.6000       62.52179 347.6210       28.39203 64.41574 10.25975 83.81882 3.468070 -19.40308      10.83005 
1 1 1 -10 29 13 o 49.62932 3.744496 122.5541       18.05604 125.2000       54.59381 122.2291       19.13276 47.15918 11.84451 49.51041 3.981522 -2.351238      12.49580 
1 1 1 -10 29 14 o 77.22295 3.251602 294.9128       24.52319 205.6000       61.90251 311.5390       26.70842 61.32304 10.70193 79.32292 3.448116 -17.99988      11.24370 
1 1 1 -10 29 15 o 26.03411 5.928473 35.45329       14.76807 67.12000       52.08963 32.68546       15.39996 35.51161 12.29757 24.94965 6.304413 10.56197       13.81941 
1 1 1 -10 29 16 o 27.28476 6.486535 39.21477       17.06815 48.80000       52.44922 38.07946       18.05067 32.25989 12.17121 26.84223 6.848765 5.417660       13.96581 
1 1 1 -10 29 17 o 23.85076 6.543944 29.85728       15.73605 18.13000       51.86466 31.04629       16.51453 27.50083 11.50415 24.30600 6.717661 3.194822       13.32188 
1 1 1 -10 29 18 o 39.27296 4.849700 78.21702       18.24731 73.55000       53.45166 78.83266       19.41357 36.56894 12.46460 39.33888 5.166455 -2.769939      13.49290 
1 1 1 -10 29 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 29 20 o 48.11677 5.162016 117.5736       23.93244 64.43000       55.83114 129.5368       26.48956 34.85597 12.66440 50.42778 5.453244 -15.57180      13.78858 
1 1 1 -10 29 21 o 77.12009 4.011793 296.7569       30.17982 323.4000       65.01564 289.4391       34.07323 77.90387 8.673023 75.93040 4.606159 1.973473       9.820287 
1 1 1 -10 29 22 o 64.45654 5.262710 210.7332       32.91465 285.0000       61.93285 181.5000       38.85635 72.85268 8.867427 59.07251 6.846659 13.78017       11.20304 
1 1 1 -10 29 23 o 69.76885 3.646988 242.5754       24.81942 220.1000       60.06695 247.2027       27.25486 62.89164 10.09923 70.31498 3.976154 -7.423336      10.85377 
1 1 1 -10 29 24 o 87.48930 5.293297 389.0460       45.11812 342.9000       66.54848 428.3000       61.37801 79.69102 8.671102 90.60265 6.974593 -10.91163      11.12803 
1 1 1 -10 29 25 f 51.76114 3.960679 134.6281       19.91445 104.4000       52.50216 139.7080       21.52284 41.43877 12.15548 52.64566 4.211778 -11.20690      12.86448 
1 1 1 -10 29 26 o 36.86510 9.063401 76.96538       32.47136 25.39000       48.88132 117.7000       43.44138 27.03710 11.22797 45.15313 10.08403 -18.11603      15.09155 
1 1 1 -10 29 27 o 60.23230 6.163272 189.7145       35.82506 200.9000       55.05518 181.5000       47.18015 59.27763 9.832972 57.17241 8.705160 2.105221       13.13268 
1 1 1 -10 29 28 o 35.77036 9.005902 73.41606       31.50708 25.06000       49.74939 105.8000       40.71244 26.77984 11.23913 42.47494 9.965235 -15.69510      15.02079 
1 1 1 -10 29 29 o 48.06791 7.294177 125.2736       33.24292 95.23000       52.48531 145.4000       42.95813 38.60860 12.31726 50.65094 8.994118 -12.04235      15.25152 
1 1 1 -10 29 30 o 32.28228 12.13012 61.95000       51.97848 61.95000       51.97848 0.000000       0.000000 32.28228 12.13012 ?        ?        ?              ?        
1 1 1 -10 29 31 o 45.03763 11.91520 129.6000       53.33114 129.6000       53.33114 0.000000       0.000000 45.03763 11.91520 ?        ?        ?              ?        
1 1 1 -10 29 32 o 45.15758 8.033997 114.1657       34.20983 72.79000       49.74232 151.3000       47.12383 33.94750 11.99847 50.62221 9.864965 -16.67471      15.53322 
1 1 1 -10 29 33 o 62.91628 8.766163 225.2000       52.52173 0.000000       0.000000 225.2000       52.52173 ?        ?        62.91628 8.766163 ?              ?        
1 1 1 -10 29 34 o 81.52261 5.451066 346.3809       43.24770 329.7000       61.78994 362.4000       60.55181 76.45881 8.394146 80.97709 7.733209 -4.518280      11.41333 
1 1 1 -10 29 35 o 31.93458 9.544990 61.76478       32.12752 6.612000       48.00749 106.5000       43.23646 23.44763 10.42419 41.13197 10.65452 -17.68434      14.90579 
1 1 1 -10 29 36 o 13.37975 6.538954 -45.20194      28.33811 -13.47000      45.13505 -65.85000      36.40871 20.73250 9.562397 14.45656 7.133593 6.275939       11.93011 
1 1 1 -10 29 37 o 18.20505 8.127335 -2.302078      29.49829 36.47000       46.79394 -27.87000      37.99949 26.85138 11.05225 17.61854 8.333062 9.232832       13.84169 
1 1 1 -10 29 38 o 25.92524 9.509918 38.43593       31.59260 10.48000       50.29929 56.65000       40.60022 23.85998 10.63491 29.92747 10.81000 -6.067492      15.16435 
1 1 1 -10 29 39 o 32.84321 9.571306 67.43533       32.64481 91.58000       52.71909 52.42000       41.57429 35.70628 12.37131 28.96589 10.85586 6.740389       16.45901 
1 1 1 -10 29 40 o 21.77902 9.001785 18.35420       31.21443 12.86000       49.84053 21.90000       40.03938 23.96177 10.63884 23.72619 10.02711 0.2355728      14.61943 
1 1 1 -10 29 41 o 16.75425 8.223397 -66.32000      46.30329 -66.32000      46.30329 0.000000       0.000000 16.75425 8.223397 ?        ?        ?              ?        
1 1 1 -10 29 42 o 33.38671 9.508087 70.10689       32.56572 103.7000       51.77715 48.12000       41.88851 37.83519 12.24957 27.99573 10.79979 9.839455       16.33057 
1 1 1 -10 29 43 f 46.33441 10.47381 138.4000       46.38215 0.000000       0.000000 138.4000       46.38215 ?        ?        46.33441 10.47381 ?              ?        
1 1 1 -10 29 44 o 19.83586 8.499399 10.06240       29.46657 -0.8249000     43.41676 19.36000       40.12202 21.16550 9.616321 23.10516 9.909358 -1.939659      13.80830 
1 1 1 -10 29 45 f 27.93622 9.533625 48.77977       31.27113 64.47000       47.03483 36.35000       41.86360 30.63354 11.53280 25.79133 10.51614 4.842209       15.60752 
1 1 1 -10 29 46 o 15.05667 7.177912 -26.45194      29.31546 -56.80000      43.91682 -2.061000      39.37129 16.58677 8.113523 20.10845 9.144400 -3.521677      12.22495 
1 1 1 -10 29 47 o 33.58031 9.415399 72.75365       32.18960 22.42000       47.11950 116.8000       44.07845 23.98350 10.50796 41.33003 10.78379 -17.34653      15.05680 
1 1 1 -10 29 48 f 21.79948 8.938313 22.69708       30.45363 24.30000       44.71203 21.31000       41.59282 23.68652 10.30950 22.95808 9.968387 0.7284412      14.34066 
1 1 1 -10 30 1  o 69.32188 4.413967 239.5463       29.79504 190.7000       60.99270 254.8561       34.14657 59.10007 10.94650 71.35707 4.918915 -12.25700      12.00090 
1 1 1 -10 30 2  o 70.40747 4.067094 246.4185       27.90981 290.3000       63.56887 235.9399       31.06394 74.39570 8.906301 68.72738 4.644930 5.668320       10.04478 
1 1 1 -10 30 3  o 39.65754 4.515497 79.11556       17.21636 189.6000       56.86726 67.96727       18.06409 59.31946 10.15917 36.55307 5.194877 22.76639       11.41032 
1 1 1 -10 30 4  o 73.13921 3.748747 265.2823       26.74800 294.4000       64.00798 259.1217       29.44195 74.89745 8.905077 72.16603 4.185965 2.731422       9.839852 
1 1 1 -10 30 5  o 95.76862 3.752058 454.4232       35.10410 408.5000       73.03555 468.2196       40.03132 88.56593 8.530231 97.05624 4.223878 -8.490311      9.518718 
1 1 1 -10 30 6  o 33.98682 5.063701 58.84051       16.33205 124.8000       53.95268 52.18668       17.13603 47.16225 11.73478 31.80159 5.715035 15.36065       13.05246 
1 1 1 -10 30 7  o 20.01771 6.411917 19.91679       14.21189 78.66000       50.63380 14.89317       14.80711 37.83130 12.10114 18.34688 6.540143 19.48442       13.75540 
1 1 1 -10 30 8  o 39.90133 4.394999 80.03555       16.88137 76.49000       51.32253 80.46569       17.87608 37.39112 12.20228 39.94517 4.659344 -2.554050      13.06159 
1 1 1 -10 30 9  o 64.34898 3.504236 205.2977       21.98869 182.1000       57.71353 209.2369       23.78245 57.68633 10.61205 64.90257 3.759685 -7.216240      11.25837 
1 1 1 -10 30 10 o 27.44782 5.706131 39.20019       14.82980 53.35000       51.02932 37.89492       15.49871 32.96166 12.08709 26.91209 6.033034 6.049570       13.50908 
1 1 1 -10 30 11 o 61.88157 3.552902 190.0567       21.42996 117.3000       56.57098 202.2466       23.15571 45.21894 12.40797 63.79826 3.724222 -18.57932      12.95483 
1 1 1 -10 30 12 o 33.68789 4.850616 57.77082       15.53433 -10.29000      51.44838 64.59822       16.29486 24.05113 10.73555 35.67448 4.787168 -11.62336      11.75453 
1 1 1 -10 30 13 o 71.40054 3.373676 252.6239       23.51154 172.5000       58.46879 268.0792       25.67921 55.58909 11.13403 73.50031 3.580096 -17.91121      11.69545 
1 1 1 -10 30 14 o 17.70356 6.400904 13.58367       14.23941 -58.91000      49.56407 20.10539       14.86613 19.26268 9.223844 20.13666 6.567010 -0.8739834     11.32276 
1 1 1 -10 30 15 f 77.38625 3.757607 297.6698       28.37797 270.4000       61.79449 304.9579       31.94578 71.17686 9.075772 78.18495 4.189604 -7.008095      9.996120 
1 1 1 -10 30 16 o 21.40446 6.582179 23.50423       15.12861 30.41000       49.51933 22.79332       15.88824 28.73273 11.53701 21.23258 6.777271 7.500143       13.38036 
1 1 1 -10 30 17 o 50.35456 4.228849 127.1789       20.65095 0.000000       0.000000 127.1789       20.65095 ?        ?        50.35456 4.228849 ?              ?        
1 1 1 -10 30 18 o 26.34840 7.514524 36.99795       20.32672 0.000000       0.000000 36.99795       20.32672 ?        ?        26.34840 7.514524 ?              ?        
1 1 1 -10 30 19 o 108.0140 4.114088 582.2817       43.41755 592.8000       80.44883 577.9591       51.57319 106.3893 7.779073 107.1614 4.929975 -0.7721024     9.209702 
1 1 1 -10 30 20 o 38.62408 7.293121 79.51588       26.56221 95.65000       53.66158 74.27974       30.57007 40.23668 12.40075 36.77430 8.640214 3.462379       15.11396 
1 1 1 -10 30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 30 22 o 29.62090 11.71981 39.50000       50.36314 39.50000       50.36314 0.000000       0.000000 29.62090 11.71981 ?        ?        ?              ?        
1 1 1 -10 30 23 o 41.49483 5.044081 88.35800       20.06686 57.03000       50.17373 94.32338       21.89420 32.30289 11.96093 42.77285 5.345836 -10.46996      13.10121 
1 1 1 -10 30 24 o 51.18549 4.107754 132.1766       20.40793 105.6000       51.90795 137.0356       22.19528 41.39888 12.07059 52.01022 4.401066 -10.61133      12.84790 
1 1 1 -10 30 25 o 67.70168 3.472949 229.1770       22.93772 184.8000       55.77378 238.2108       25.16435 56.19373 10.52668 68.90868 3.744905 -12.71495      11.17297 
1 1 1 -10 30 26 o 45.59058 7.807444 114.1836       33.58857 57.47000       51.17704 157.1000       44.51873 31.80748 12.01777 52.80958 8.930437 -21.00210      14.97262 
1 1 1 -10 30 27 o 52.69972 6.897398 148.8240       34.72638 109.7000       52.77436 178.7000       46.11714 41.43316 12.19588 56.54223 8.603586 -15.10907      14.92519 
1 1 1 -10 30 28 o 46.26978 7.722641 118.0407       33.74400 93.75000       52.90488 134.7000       43.81302 38.04384 12.38718 48.06323 9.648484 -10.01939      15.70145 
1 1 1 -10 30 29 o 49.02893 11.74185 151.6000       55.60582 151.6000       55.60582 0.000000       0.000000 49.02893 11.74185 ?        ?        ?              ?        
1 1 1 -10 30 30 o 53.38173 6.991916 154.2066       35.65647 153.7000       53.93327 154.6000       47.52432 49.63698 11.34841 51.20035 9.840240 -1.563366      15.02054 
1 1 1 -10 30 31 o 37.38326 9.044366 81.90144       32.73203 55.13000       49.10988 103.3000       43.90615 30.67113 11.72894 40.71033 10.83011 -10.03921      15.96432 
1 1 1 -10 30 32 o 26.06780 10.44389 32.74000       40.48655 0.000000       0.000000 32.74000       40.48655 ?        ?        26.06780 10.44389 ?              ?        
1 1 1 -10 30 33 o 22.59684 9.030727 21.84866       30.19422 17.53000       46.23578 25.06000       39.87006 24.51784 10.57773 24.65167 10.17986 -0.1338348     14.68053 
1 1 1 -10 30 34 o 23.78359 9.134304 28.16062       29.87164 14.81000       46.60458 37.47000       38.91690 24.14179 10.51629 26.56411 10.36462 -2.422323      14.76542 
1 1 1 -10 30 35 o 22.75204 9.038412 23.57031       30.06768 46.02000       47.84598 8.918000       38.65391 28.46279 11.37035 21.87609 9.552489 6.586699       14.85042 
1 1 1 -10 30 36 o 38.30482 8.817698 87.79868       32.37582 77.82000       50.69914 94.67000       42.07113 33.54222 12.08457 38.03774 10.79848 -4.495522      16.20630 
1 1 1 -10 30 37 o 18.40764 8.211600 -1.203694      30.05389 19.94000       47.56958 -15.25000      38.77216 24.46780 10.64188 18.89539 8.766699 5.572414       13.78784 
1 1 1 -10 30 38 o 36.51012 9.172338 81.71324       32.73300 64.50000       51.93128 93.06000       42.16320 31.01771 12.00896 37.45318 10.86680 -6.435472      16.19576 
1 1 1 -10 30 39 o 20.93055 8.801743 14.47510       30.60592 -10.03000      49.52150 29.62000       38.93128 21.52446 9.959012 24.70508 10.11523 -3.180614      14.19506 
1 1 1 -10 30 40 o 21.61005 9.932289 -5.824000      48.09791 -5.824000      48.09791 0.000000       0.000000 21.61005 9.932289 ?        ?        ?              ?        
1 1 1 -10 30 41 o 52.59622 7.011127 154.6553       35.19692 140.1000       52.66973 166.4000       47.31211 44.92131 11.82067 51.86424 9.675424 -6.942932      15.27553 
1 1 1 -10 30 42 o 43.22446 10.63711 122.5000       44.69431 0.000000       0.000000 122.5000       44.69431 ?        ?        43.22446 10.63711 ?              ?        
1 1 1 -10 30 43 o 22.45528 9.009364 24.17814       30.17295 54.31000       45.15727 -0.1246000     40.55481 28.87806 11.19350 20.65664 9.348810 8.221418       14.58406 
1 1 1 -10 30 44 o 37.53051 8.866612 86.42417       32.05096 122.5000       48.10727 57.63000       42.97886 42.05223 11.40266 29.44562 11.03728 12.60661       15.86954 
1 1 1 -10 30 45 o 24.94743 9.304733 36.76622       30.46764 65.82000       45.94960 13.97000       40.70163 30.57999 11.42258 22.21819 9.749420 8.361797       15.01754 
1 1 1 -10 30 46 o 18.96852 8.334980 5.666832       29.84204 13.60000       43.78179 -1.217000      40.78358 22.45035 9.969326 20.29120 9.258178 2.159153       13.60519 
1 1 1 -10 30 47 o 22.97220 9.111999 29.06070       30.51510 46.90000       45.31570 14.26000       41.27632 26.79929 10.93585 21.94910 9.716781 4.850189       14.62903 
1 1 1 -10 31 1  o 73.36379 3.376074 266.5631       24.17876 306.1000       63.79597 259.9313       26.12802 76.22407 8.706545 72.35717 3.701384 3.866898       9.460664 
1 1 1 -10 31 2  o 25.14515 8.279121 31.94279       23.60372 76.48000       53.09214 20.97143       26.35111 37.26924 12.42207 22.76509 8.618526 14.50415       15.11909 
1 1 1 -10 31 3  o 47.43677 7.886008 118.6615       35.33156 171.1000       57.60014 87.03000       44.73610 55.53962 10.98460 39.43338 11.11498 16.10624       15.62704 
1 1 1 -10 31 4  o 44.35813 4.353488 98.79091       18.65918 101.5000       55.25850 98.44226       19.82353 42.10021 12.50222 44.20095 4.651514 -2.100739      13.33950 
1 1 1 -10 31 5  o 64.53822 4.009932 207.5097       25.20633 115.9000       58.27872 228.5905       27.95647 44.77511 12.70884 67.67937 4.241396 -22.90426      13.39791 
1 1 1 -10 31 6  o 62.23438 3.929527 192.8967       23.81518 253.5000       59.08107 181.1392       26.02300 69.09927 8.944786 60.15199 4.451327 8.947289       9.991172 
1 1 1 -10 31 7  o 48.89582 3.982669 119.4398       18.89635 37.53000       53.06687 131.3338       20.22182 30.48147 12.03970 51.26669 4.062957 -20.78522      12.70677 
1 1 1 -10 31 8  o 15.93853 6.195385 8.488713       13.86339 28.31000       49.38328 6.792964       14.44424 28.48598 11.49194 15.65663 6.249773 12.82935       13.08145 
1 1 1 -10 31 9  o 20.71908 6.428968 21.85520       14.39436 42.41000       50.41848 20.03112       15.01947 30.82969 11.86014 20.13071 6.602984 10.69897       13.57433 
1 1 1 -10 31 10 o 63.92884 3.468588 202.8652       21.62350 270.8000       60.08124 192.7560       23.17658 71.41394 8.779634 62.21641 3.824211 9.197533       9.576354 
1 1 1 -10 31 11 o 60.92853 3.548527 184.4771       21.07131 139.8000       56.83590 191.5963       22.68814 49.34342 11.90545 62.04166 3.753579 -12.69824      12.48316 
1 1 1 -10 31 12 o 60.00579 3.609555 179.0850       21.10282 146.0000       56.39739 184.4714       22.75591 50.55253 11.63846 60.84104 3.840725 -10.28851      12.25581 
1 1 1 -10 31 13 o 36.00676 9.405050 71.58041       33.50387 40.20000       51.84675 94.08000       43.90151 30.50247 11.94508 40.74993 10.82445 -10.24746      16.11998 
1 1 1 -10 31 14 o 106.2681 3.791008 561.6711       39.37019 450.8000       74.46942 604.6804       46.38206 92.39392 8.323473 110.0084 4.315803 -17.61443      9.375839 
1 1 1 -10 31 15 o 17.05448 6.438071 11.34535       14.67990 -2.636000      48.36166 12.76432       15.40683 23.93073 10.55932 17.71723 6.614979 6.213501       12.46023 
1 1 1 -10 31 16 o 16.42864 6.522118 8.154899       15.64664 0.000000       0.000000 8.154899       15.64664 ?        ?        16.42864 6.522118 ?              ?        
1 1 1 -10 31 17 o 109.0887 3.763809 592.4949       40.12939 0.000000       0.000000 592.4949       40.12939 ?        ?        109.0887 3.763809 ?              ?        
1 1 1 -10 31 18 o 79.46158 3.462018 314.0771       26.86267 287.2000       59.92536 320.8362       30.05113 73.08280 8.537684 80.16560 3.840890 -7.082802      9.361864 
1 1 1 -10 31 19 o 36.60958 7.669096 72.69419       26.60024 76.34000       47.44542 71.02287       32.12383 36.13675 11.72804 35.57380 9.168026 0.5629501      14.88622 
1 1 1 -10 31 20 o 37.59719 7.367370 76.31493       26.14279 63.46000       49.28912 81.34689       30.83787 33.48242 11.93273 38.33923 8.445876 -4.856815      14.61927 
1 1 1 -10 31 21 o 38.83670 6.098382 79.29671       22.41963 55.81000       49.01985 85.50905       25.21092 31.90008 11.82060 40.10954 6.654588 -8.209461      13.56504 
1 1 1 -10 31 22 o 45.59814 5.203262 107.1311       22.80842 109.1000       51.84130 106.6585       25.39872 41.97290 12.01042 45.19102 5.881262 -3.218117      13.37308 
1 1 1 -10 31 23 o 51.20175 4.592402 133.6612       22.77186 0.000000       0.000000 133.6612       22.77186 ?        ?        51.20175 4.592402 ?              ?        
1 1 1 -10 31 24 o 51.54752 4.618132 135.6736       23.05468 87.64000       52.46090 147.1707       25.66593 37.18069 12.34677 53.53901 4.953728 -16.35831      13.30346 
1 1 1 -10 31 25 o 72.69247 5.642325 274.2879       39.83292 209.7000       60.09538 324.9000       53.19770 59.32196 10.74501 77.93903 7.049330 -18.61708      12.85100 
1 1 1 -10 31 26 o 35.33666 9.284039 73.11840       32.52298 23.86000       51.35657 106.1000       42.02345 26.56321 11.29649 41.99329 10.30256 -15.43008      15.28900 
1 1 1 -10 31 27 o 74.62325 5.656949 290.1346       41.01241 258.9000       61.53381 315.1000       55.01305 66.77774 9.697320 76.11142 7.480867 -9.333679      12.24751 
1 1 1 -10 31 28 o 31.30129 11.71867 58.53000       48.41880 58.53000       48.41880 0.000000       0.000000 31.30129 11.71867 ?        ?        ?              ?        
1 1 1 -10 31 29 o 53.18549 6.823759 152.8279       34.70665 92.49000       49.87003 209.5000       48.33137 37.59083 12.00797 61.09087 8.296742 -23.50004      14.59545 
1 1 1 -10 31 30 o 25.71334 10.41163 30.34000       40.70219 0.000000       0.000000 30.34000       40.70219 ?        ?        25.71334 10.41163 ?              ?        
1 1 1 -10 31 31 o 12.13323 6.039241 -63.75695      28.30643 -97.32000      46.21767 -43.61000      35.80815 15.40179 7.674343 15.84900 7.652896 -0.4472122     10.83801 
1 1 1 -10 31 32 o 38.26177 8.630377 85.78866       31.54984 123.4000       50.26613 61.34000       40.52692 43.27660 11.62186 31.26260 10.84604 12.01400       15.89667 
1 1 1 -10 31 33 o 27.40059 9.380489 44.13425       30.27959 52.78000       47.65388 38.28000       39.21324 29.60286 11.49205 26.61638 10.39852 2.986477       15.49827 
1 1 1 -10 31 34 o 21.98269 8.896162 20.39330       29.69720 29.56000       47.06640 14.33000       38.27885 25.81620 10.88889 22.45792 9.656143 3.358276       14.55366 
1 1 1 -10 31 35 o 16.64787 7.698828 -13.85602      29.53974 -23.74000      47.03455 -7.418000      37.96011 19.93527 9.380424 19.55170 8.925051 0.3835621      12.94793 
1 1 1 -10 31 36 o 19.77830 8.520436 8.459371       29.91433 42.74000       47.68260 -13.79000      38.41443 27.46893 11.21451 18.90678 8.756072 8.562143       14.22793 
1 1 1 -10 31 37 o 14.09858 6.830206 -37.95671      29.11939 -34.52000      47.05276 -40.09000      37.07135 19.02719 9.077147 16.23774 7.827172 2.789459       11.98579 
1 1 1 -10 31 38 o 27.02533 9.531262 44.37396       31.37556 53.19000       50.69403 38.90000       39.94578 29.02928 11.66718 26.24813 10.42088 2.781157       15.64346 
1 1 1 -10 31 39 o 31.61655 11.83778 69.48000       49.41042 69.48000       49.41042 0.000000       0.000000 31.61655 11.83778 ?        ?        ?              ?        
1 1 1 -10 31 40 o 19.60606 8.465411 8.286540       29.65987 6.078000       44.87310 10.00000       39.52487 22.19698 9.958185 21.77171 9.578651 0.4252701      13.81724 
1 1 1 -10 31 41 o 24.31966 10.19048 27.15000       40.79952 0.000000       0.000000 27.15000       40.79952 ?        ?        24.31966 10.19048 ?              ?        
1 1 1 -10 31 42 o 16.86878 7.755712 -10.09798      29.36101 -9.877000      43.68765 -10.28000      39.65075 20.19454 9.347308 19.34018 8.935312 0.8543644      12.93105 
1 1 1 -10 31 43 o 18.38893 8.168271 1.299692       29.41383 -47.17000      43.16681 43.31000       40.18766 17.06241 8.277835 26.75792 10.50529 -9.695505      13.37474 
1 1 1 -10 31 44 f 36.44278 9.069339 83.48691       32.22203 49.21000       47.20152 113.4000       44.09464 27.69270 11.21247 40.63511 10.87293 -12.94242      15.61858 
1 1 1 -10 31 45 o 22.31505 9.013303 25.09879       30.41867 20.01000       44.53231 29.55000       41.64927 23.22859 10.19518 24.20267 10.22750 -0.9740772     14.44104 
1 1 1 -10 31 46 o 26.59218 9.465860 45.99647       31.00760 40.44000       45.90247 50.66000       42.05272 25.77827 10.80582 27.29528 10.73722 -1.517015      15.23331 
1 1 1 -10 32 1  o 47.23319 4.199347 111.8774       19.21272 129.8000       56.28246 109.5134       20.44055 47.38622 12.09508 46.63491 4.535117 0.7513046      12.91736 
1 1 1 -10 32 2  o 69.29308 3.520760 238.4094       23.80164 226.6000       61.97184 240.4529       25.77879 64.33621 10.17917 69.50742 3.803500 -5.171204      10.86656 
1 1 1 -10 32 3  o 66.96358 4.613081 224.9928       30.05205 285.2000       63.16470 207.3768       34.16683 73.07923 9.021610 63.93912 5.513024 9.140110       10.57274 
1 1 1 -10 32 4  o 44.30124 6.222405 101.3799       26.23965 115.3000       55.24729 97.32523       29.81733 44.54102 12.27779 42.96025 7.355150 1.580772       14.31232 
1 1 1 -10 32 5  o 43.59434 4.324681 95.59526       18.21098 118.1000       52.97416 92.57925       19.39291 45.26851 11.82718 42.78799 4.708071 2.480518       12.72981 
1 1 1 -10 32 6  o 36.01416 4.993923 66.18835       17.13129 26.53000       50.12396 71.43365       18.22903 28.20498 11.50445 37.40239 5.112888 -9.197405      12.58943 
1 1 1 -10 32 7  o 65.71773 3.909163 215.3638       25.03259 182.0000       56.89114 223.3741       27.87613 57.19802 10.55008 66.80929 4.285343 -9.611267      11.38720 
1 1 1 -10 32 8  o 65.96291 3.519616 216.2615       22.64259 217.6000       57.89071 216.0197       24.60250 63.18589 9.667028 65.83207 3.834596 -2.646183      10.39979 
1 1 1 -10 32 9  f 40.98081 4.478653 84.85838       17.67315 84.81000       52.04910 84.86469       18.78945 38.35983 12.26898 40.89312 4.784497 -2.533295      13.16888 
1 1 1 -10 32 10 o 67.91637 4.663702 232.0266       30.81536 268.9000       59.79131 218.6899       35.95891 70.82130 8.815474 65.50783 5.663562 5.313469       10.47800 
1 1 1 -10 32 11 o 13.96562 5.895354 1.673822       13.81477 5.794000       47.93525 1.300613       14.42689 24.82163 10.73973 14.14970 6.001165 10.67193       12.30267 
1 1 1 -10 32 12 o 25.68055 6.453071 35.03645       16.19907 -22.15000      48.39543 42.25203       17.19069 21.81908 10.00416 28.23220 6.372392 -6.413118      11.86131 
1 1 1 -10 32 13 o 59.41955 3.651836 176.0555       21.13702 105.3000       53.45383 189.1694       23.01259 42.15536 12.23688 61.54152 3.839369 -19.38616      12.82505 
1 1 1 -10 32 14 o 14.77329 5.988505 5.312503       13.48239 -31.61000      46.73060 8.664982       14.08117 20.44663 9.532963 15.98905 6.235672 4.457585       11.39127 
1 1 1 -10 32 15 o 57.98890 4.069598 168.7561       22.95284 0.000000       0.000000 168.7561       22.95284 ?        ?        57.98890 4.069598 ?              ?        
1 1 1 -10 32 16 o 24.99235 6.574152 33.44487       16.29515 28.18000       45.55870 34.21721       17.44949 27.17855 11.01151 25.24343 6.876822 1.935122       12.98245 
1 1 1 -10 32 17 o 45.58906 4.537813 105.5179       19.98085 87.27000       47.36924 109.4674       22.03728 38.19950 11.62813 46.29151 4.939756 -8.092007      12.63387 
1 1 1 -10 32 18 o 53.02196 4.115636 141.7304       21.19274 68.30000       47.81764 159.6797       23.64145 34.15601 11.78467 56.21148 4.330129 -22.05547      12.55502 
1 1 1 -10 32 19 o 56.21344 6.593911 166.5539       35.59294 138.6000       49.53177 196.4000       51.18076 48.50014 10.71925 59.31449 9.105865 -10.81435      14.06481 
1 1 1 -10 32 20 o 29.22509 8.333575 47.91238       25.00129 70.20000       45.27133 38.13218       29.98923 34.18274 11.47206 26.68362 9.325500 7.499123       14.78422 
1 1 1 -10 32 21 o 28.62487 7.417679 45.37431       20.95098 64.04000       47.43000 40.84934       23.35280 32.80750 11.70408 27.08566 8.147515 5.721840       14.26070 
1 1 1 -10 32 22 o 23.93679 7.701451 30.89973       20.48695 50.74000       47.78033 26.43050       22.67731 30.36242 11.57930 22.83451 8.098459 7.527912       14.13030 
1 1 1 -10 32 23 o 26.65767 6.976939 39.13884       18.41340 61.69000       47.85263 35.21944       19.94946 32.16586 11.71903 25.26527 7.514215 6.900589       13.92118 
1 1 1 -10 32 24 o 63.81925 3.536455 204.5336       22.00516 189.9000       57.16860 207.0789       23.84217 56.03780 10.81421 64.08215 3.818355 -8.044357      11.46852 
1 1 1 -10 32 25 o 49.40079 9.670818 143.3000       45.08854 0.000000       0.000000 143.3000       45.08854 ?        ?        49.40079 9.670818 ?              ?        
1 1 1 -10 32 26 o 43.57898 11.72788 122.2000       51.12139 122.2000       51.12139 0.000000       0.000000 43.57898 11.72788 ?        ?        ?              ?        
1 1 1 -10 32 27 o 24.92787 10.53841 21.39000       44.25078 21.39000       44.25078 0.000000       0.000000 24.92787 10.53841 ?        ?        ?              ?        
1 1 1 -10 32 28 o 48.90049 7.299803 131.7287       33.87227 129.1000       49.18483 134.1000       46.71574 45.11200 11.19249 46.71358 10.47576 -1.601582      15.33015 
1 1 1 -10 32 29 o 30.54884 11.11668 57.24000       43.04177 0.000000       0.000000 57.24000       43.04177 ?        ?        30.54884 11.11668 ?              ?        
1 1 1 -10 32 30 o 20.81755 8.730372 12.95704       29.98413 2.451000       45.91287 20.77000       39.59341 22.52469 10.09153 23.82009 10.01357 -1.295397      14.21657 
1 1 1 -10 32 31 o 16.15985 7.520887 -17.33302      28.88097 -63.39000      46.06802 12.49000       37.07043 17.07701 8.344022 22.11807 9.506157 -5.041061      12.64870 
1 1 1 -10 32 32 o 34.19545 9.216588 71.30480       31.54313 116.3000       50.76611 43.01000       40.25725 41.21431 11.91388 27.37558 10.58025 13.83873       15.93368 
1 1 1 -10 32 33 o 26.23555 9.411873 40.39044       30.71576 58.47000       49.85627 29.33000       38.99528 30.09547 11.73447 24.72485 10.12346 5.370619       15.49781 
1 1 1 -10 32 34 o 20.86680 8.814616 13.80014       30.91831 -41.66000      48.95127 50.61000       39.88004 18.89333 9.078342 28.50099 10.64237 -9.607653      13.98843 
1 1 1 -10 32 35 o 16.36068 7.624390 -16.58123      29.83644 -18.85000      48.61194 -15.21000      37.79221 20.53831 9.623619 18.59145 8.635802 1.946861       12.93024 
1 1 1 -10 32 36 o 22.93213 9.112861 25.52830       30.57441 21.09000       48.83235 28.39000       39.21129 24.62547 10.74521 24.48728 10.10206 0.1381912      14.74826 
1 1 1 -10 32 37 o 18.44298 8.215533 0.4356416E-01  29.97060 -6.436000      47.40836 4.357000       38.68064 21.34569 9.828992 20.91075 9.322867 0.4349346      13.54714 
1 1 1 -10 32 38 o 25.17106 10.75366 28.64000       46.91718 28.64000       46.91718 0.000000       0.000000 25.17106 10.75366 ?        ?        ?              ?        
1 1 1 -10 32 39 o 24.73370 9.346315 34.77607       30.95572 16.18000       46.84599 49.19000       41.24327 23.58180 10.39948 27.97497 10.73584 -4.393177      14.94682 
1 1 1 -10 32 40 o 33.82959 11.24873 79.83000       43.54144 0.000000       0.000000 79.83000       43.54144 ?        ?        33.82959 11.24873 ?              ?        
1 1 1 -10 32 41 o 29.90339 9.420909 57.02605       30.78807 44.58000       45.17627 67.82000       42.07117 27.11750 10.97301 31.32872 11.03794 -4.211222      15.56416 
1 1 1 -10 32 42 o 22.14039 8.974236 23.09520       30.27552 84.46000       45.68992 -24.94000      40.42412 34.23957 11.52523 18.07500 8.562523 16.16457       14.35785 
1 1 1 -10 32 43 o 12.94191 6.373820 -48.77853      28.59217 5.065000       42.01818 -95.21000      39.01905 21.21482 9.566676 13.33652 6.703530 7.878305       11.68155 
1 1 1 -10 32 44 o 15.64248 7.357915 -17.88327      28.89432 6.446000       42.18214 -39.39000      39.65987 21.21778 9.575086 16.54817 8.005935 4.669603       12.48108 
1 1 1 -10 32 45 o 16.56462 7.687208 -11.24487      29.83953 -4.839000      44.61415 -16.43000      40.13871 20.30658 9.415410 18.41272 8.664477 1.893864       12.79543 
1 1 1 -10 33 1  o 25.18112 6.656917 33.71098       16.65458 91.13000       50.61444 26.73923       17.63671 39.51793 12.01790 22.73378 7.125922 16.78415       13.97171 
1 1 1 -10 33 2  o 16.40805 6.536179 7.937037       15.76605 54.85000       49.80688 2.712913       16.62072 32.50646 11.93791 15.41451 6.484411 17.09195       13.58534 
1 1 1 -10 33 3  o 56.33973 3.794923 158.5180       20.80573 152.8000       55.17932 159.4656       22.46378 51.61103 11.24160 56.41636 4.095806 -4.805332      11.96450 
1 1 1 -10 33 4  o 31.19036 8.073606 52.93437       24.83844 4.426000       49.06074 69.65337       28.80254 24.84591 10.80684 35.69994 8.385984 -10.85403      13.67891 
1 1 1 -10 33 5  o 39.35751 7.040093 82.05090       26.12569 126.0000       52.02028 67.22675       30.21222 46.57590 11.48414 34.91048 8.835230 11.66543       14.48954 
1 1 1 -10 33 6  o 36.37928 5.085832 67.83276       17.61596 38.36000       50.46751 71.92194       18.79834 29.77091 11.74670 37.41546 5.279452 -7.644548      12.87857 
1 1 1 -10 33 7  o 56.64318 3.785363 160.2903       20.86708 211.0000       56.69461 152.3443       22.44250 61.90829 9.672135 55.08747 4.193612 6.820827       10.54213 
1 1 1 -10 33 8  o 46.18973 4.550282 107.9025       20.30578 116.9000       51.37464 106.2366       22.10576 44.62719 11.64117 45.66750 5.028417 -1.040310      12.68077 
1 1 1 -10 33 9  o 36.75010 4.727462 68.89428       16.61217 64.24000       49.11674 69.49546       17.65247 33.95394 11.92942 36.81662 5.029790 -2.862682      12.94642 
1 1 1 -10 33 10 o 12.41338 5.571451 -5.603981      14.06340 -79.13000      46.29228 1.871828       14.76105 16.85922 8.264149 14.39531 6.086187 2.463911       10.26342 
1 1 1 -10 33 11 o 12.59067 5.644025 -5.468721      14.38319 -2.838000      45.94766 -5.754511      15.14431 23.07849 10.23251 12.90553 5.787814 10.17296       11.75598 
1 1 1 -10 33 12 o 17.17908 6.357778 12.47750       14.17293 -67.39000      43.52639 21.94989       14.98985 16.78181 8.180227 20.66225 6.581509 -3.880442      10.49916 
1 1 1 -10 33 13 o 29.27474 6.071741 45.49975       16.82736 0.000000       0.000000 45.49975       16.82736 ?        ?        29.27474 6.071741 ?              ?        
1 1 1 -10 33 14 o 56.80610 4.125166 162.5599       22.78102 0.000000       0.000000 162.5599       22.78102 ?        ?        56.80610 4.125166 ?              ?        
1 1 1 -10 33 15 o 16.53126 6.544669 8.930509       15.71400 -60.63000      43.74459 19.23649       16.83789 17.17717 8.333401 19.93168 6.986107 -2.754511      10.87434 
1 1 1 -10 33 16 o 32.11570 5.696891 54.35675       17.25284 30.71000       45.13283 58.40358       18.67086 27.10148 10.96730 33.21211 5.962406 -6.110628      12.48327 
1 1 1 -10 33 17 o 24.20811 9.404470 26.06271       31.93085 24.70000       45.03729 27.44000       45.27775 26.05036 10.79421 26.49450 10.88497 -0.4441490     15.32963 
1 1 1 -10 33 18 o 15.67747 6.584630 3.910989       17.09612 89.21000       43.52697 -11.64831      18.59009 38.16805 11.03133 13.36616 6.154766 24.80189       12.63215 
1 1 1 -10 33 19 o 22.95829 8.506737 25.49791       25.38678 34.15000       44.11477 21.21390       31.04194 27.21978 10.90304 22.98577 9.166470 4.234005       14.24432 
1 1 1 -10 33 20 o 30.45718 8.338379 52.80116       25.58126 39.59000       45.09181 59.07106       31.06404 28.13406 11.10266 31.80597 9.355476 -3.671911      14.51875 
1 1 1 -10 33 21 o 24.18727 7.756516 31.93865       20.79297 62.86000       44.35197 23.22792       23.54023 32.21526 11.33462 22.02229 8.185579 10.19296       13.98132 
1 1 1 -10 33 22 o 24.76901 7.629789 33.93811       20.31700 21.92000       46.23586 36.81400       22.61764 25.42826 10.76213 25.68768 8.072206 -0.2594223     13.45303 
1 1 1 -10 33 23 o 24.84044 6.959292 34.09867       17.59351 56.63000       46.54572 30.34300       19.00332 30.88371 11.50426 23.54708 7.399127 7.336632       13.67827 
1 1 1 -10 33 24 o 55.36459 3.663662 154.6224       19.74259 97.97000       49.99621 165.0883       21.48895 38.65041 11.97970 57.11963 3.866253 -18.46921      12.58813 
1 1 1 -10 33 25 o 33.40740 11.70800 71.20000       47.29058 71.20000       47.29058 0.000000       0.000000 33.40740 11.70800 ?        ?        ?              ?        
1 1 1 -10 33 26 o 39.45589 11.38365 100.9000       46.38934 0.000000       0.000000 100.9000       46.38934 ?        ?        39.45589 11.38365 ?              ?        
1 1 1 -10 33 27 o 75.90446 7.761313 320.8000       56.85366 0.000000       0.000000 320.8000       56.85366 ?        ?        75.90446 7.761313 ?              ?        
1 1 1 -10 33 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 33 29 o 19.32033 8.441916 3.712989       30.23079 -15.16000      47.78198 16.31000       39.03710 21.03961 9.751355 23.00044 9.817226 -1.960835      13.83716 
1 1 1 -10 33 30 o 22.46843 9.005519 22.55401       30.11537 35.44000       47.43018 13.85000       38.98124 26.67519 11.06733 22.50933 9.711865 4.165854       14.72434 
1 1 1 -10 33 31 o 16.91343 7.771248 -11.15165      29.41336 -10.56000      46.72452 -11.54000      37.85523 21.00015 9.701319 19.04582 8.774695 1.954329       13.08094 
1 1 1 -10 33 32 o 16.45918 7.640391 -15.03358      29.50838 -14.59000      48.75539 -15.29000      37.06859 20.97081 9.763930 18.43813 8.560524 2.532681       12.98526 
1 1 1 -10 33 33 o 32.66115 9.437106 67.05316       31.85932 42.03000       50.22601 83.90000       41.21135 27.38358 11.37742 35.30592 10.86492 -7.922335      15.73188 
1 1 1 -10 33 34 o 18.99961 8.344256 3.756344       29.87270 15.74000       48.63023 -3.506000      37.85734 23.93446 10.57357 19.85695 9.005094 4.077503       13.88856 
1 1 1 -10 33 35 o 23.04877 9.107968 26.79928       30.38164 19.55000       49.39760 31.21000       38.53124 24.33872 10.70817 24.72528 10.08611 -0.3865623     14.71036 
1 1 1 -10 33 36 o 21.62072 9.887364 -2.059000      46.86249 -2.059000      46.86249 0.000000       0.000000 21.62072 9.887364 ?        ?        ?              ?        
1 1 1 -10 33 37 o 40.41900 8.487597 97.97594       32.50901 82.68000       48.24198 110.7000       43.99969 33.87619 11.82853 40.54929 10.86623 -6.673096      16.06203 
1 1 1 -10 33 38 o 30.53874 11.11847 63.42000       43.06306 0.000000       0.000000 63.42000       43.06306 ?        ?        30.53874 11.11847 ?              ?        
1 1 1 -10 33 39 o 16.02190 7.508652 -17.82028      29.61447 -16.36000      43.33333 -19.10000      40.56587 19.46445 9.109354 18.63692 8.751282 0.8275242      12.63191 
1 1 1 -10 33 40 f 14.90804 7.117458 -27.00961      29.04463 -30.53000      42.85973 -24.02000      39.49668 18.14768 8.659141 17.93660 8.487110 0.2110786      12.12484 
1 1 1 -10 33 41 o 25.12977 9.345655 37.99261       30.69322 95.54000       45.65037 -9.485000      41.46445 36.27741 11.47715 19.61794 9.089465 16.65947       14.64047 
1 1 1 -10 33 42 o 27.49538 9.412893 48.75550       30.48914 38.61000       44.90893 57.43000       41.52582 25.74967 10.73328 28.82631 10.83982 -3.076635      15.25467 
1 1 1 -10 33 43 f 21.59848 8.884781 22.27793       30.21622 29.49000       44.70116 16.21000       41.00241 24.21408 10.42329 22.10226 9.738847 2.111826       14.26499 
1 1 1 -10 33 44 o 17.50407 7.964979 -3.381476      29.92815 -2.665000      43.81766 -4.008000      40.97481 20.32419 9.391052 19.70810 9.097461 0.6160946      13.07500 
1 1 1 -10 34 1  o 34.20480 5.466602 60.79647       17.68660 34.94000       48.92647 64.68325       18.96942 28.68683 11.48513 35.22043 5.696808 -6.533598      12.82037 
1 1 1 -10 34 2  o 18.92831 6.797256 16.39787       16.02497 30.37000       47.84264 14.63221       17.00739 27.83250 11.28135 18.62278 6.950690 9.209719       13.25070 
1 1 1 -10 34 3  o 33.59646 5.594879 58.86344       17.75209 -18.68000      47.81239 71.26231       19.11872 21.77559 9.969062 37.09887 5.425311 -15.32328      11.34972 
1 1 1 -10 34 4  o 15.84308 6.400477 6.702486       15.34241 24.43000       45.97324 4.480688       16.27547 26.62590 10.95670 15.62618 6.483129 10.99972       12.73107 
1 1 1 -10 34 5  o 28.91296 8.324966 46.02915       24.83323 108.6000       47.68044 22.73830       29.09021 42.80747 11.23846 23.30086 8.996970 19.50661       14.39612 
1 1 1 -10 34 6  o 44.45825 6.320003 103.6740       26.72887 96.69000       49.49240 106.5497       31.75859 40.03880 11.81720 44.47045 7.566728 -4.431648      14.03217 
1 1 1 -10 34 7  o 30.40342 5.768873 48.69589       16.54012 51.02000       47.54334 48.37587       17.64216 31.04102 11.61408 30.15968 6.183899 0.8813343      13.15779 
1 1 1 -10 34 8  o 56.03194 4.231590 158.3926       23.03688 127.8000       52.92304 165.5443       25.58828 45.97414 11.72531 57.13030 4.615065 -11.15616      12.60086 
1 1 1 -10 34 9  o 22.38178 7.206938 26.18860       17.93802 76.93000       45.85353 17.02000       19.49140 35.87351 11.51988 19.83898 7.433591 16.03453       13.71007 
1 1 1 -10 34 10 o 36.00875 5.058740 67.00780       17.33921 36.23000       46.00962 72.10256       18.71939 28.18530 11.18585 37.29243 5.275316 -9.107130      12.36739 
1 1 1 -10 34 11 o 17.64568 6.544000 13.42205       15.02941 51.38000       43.95911 8.397755       15.99319 30.57808 11.21763 16.46269 6.574737 14.11539       13.00240 
1 1 1 -10 34 12 o 79.74337 3.803493 319.0463       29.60259 0.000000       0.000000 319.0463       29.60259 ?        ?        79.74337 3.803493 ?              ?        
1 1 1 -10 34 13 o 21.08863 6.770205 23.27778       15.83805 -52.05000      47.48807 32.70540       16.79995 18.60729 8.941087 24.52738 6.774155 -5.920095      11.21750 
1 1 1 -10 34 14 o 83.85238 4.343760 356.0952       35.53076 346.9000       61.44508 360.7144       43.55017 79.67948 7.985856 83.68060 5.344845 -4.001114      9.609436 
1 1 1 -10 34 15 o 24.58528 9.407428 28.73703       31.60594 27.88000       45.15779 29.56000       44.25108 26.35996 10.85441 26.49189 10.80805 -0.1319370     15.31771 
1 1 1 -10 34 16 o 45.26926 4.616752 105.0158       20.17116 55.82000       47.07146 116.0817       22.32481 31.10555 11.57250 47.49846 4.870696 -16.39291      12.55574 
1 1 1 -10 34 17 o 48.18983 4.530828 118.8043       21.12097 81.73000       47.61182 127.8875       23.56669 35.96099 11.75399 49.83654 4.894138 -13.87554      12.73220 
1 1 1 -10 34 18 o 38.43167 5.349369 77.34675       19.57857 68.54000       46.11990 79.28272       21.62371 33.26403 11.56856 38.65454 5.901897 -5.390507      12.98707 
1 1 1 -10 34 19 o 44.57487 4.714493 102.3736       20.25850 70.68000       47.41633 109.4509       22.40650 33.53191 11.72559 45.93061 5.068023 -12.39870      12.77397 
1 1 1 -10 34 20 o 26.63590 8.663860 40.11680       25.88408 43.71000       44.45696 38.27408       31.83672 28.47967 11.08757 26.45322 9.570143 2.026451       14.64656 
1 1 1 -10 34 21 o 47.52671 5.263281 117.8672       24.07514 78.55000       46.16532 132.5543       28.21573 34.95871 11.58137 50.06630 5.868845 -15.10759      12.98350 
1 1 1 -10 34 22 o 54.75347 4.628553 154.0546       24.57422 166.1000       48.16787 149.8162       28.57240 53.03747 9.632998 53.44986 5.541584 -0.4123917     11.11323 
1 1 1 -10 34 23 o 48.33311 4.193743 119.3083       19.64434 127.8000       47.61112 117.5661       21.56556 45.11372 10.90387 47.73855 4.675015 -2.624825      11.86381 
1 1 1 -10 34 24 o 18.84735 8.886825 -28.33000      42.60704 -28.33000      42.60704 0.000000       0.000000 18.84735 8.886825 ?        ?        ?              ?        
1 1 1 -10 34 25 f 27.44587 9.469597 43.98509       30.87567 48.93000       46.54747 40.10000       41.25890 29.03696 11.33361 27.19599 10.65417 1.840979       15.55513 
1 1 1 -10 34 26 o 27.04572 10.59989 40.18000       40.85445 0.000000       0.000000 40.18000       40.85445 ?        ?        27.04572 10.59989 ?              ?        
1 1 1 -10 34 27 o 62.15099 6.426476 208.7202       38.53223 103.4000       57.68025 293.6000       51.78139 37.83158 12.94698 72.75537 7.372812 -34.92379      14.89908 
1 1 1 -10 34 28 o 30.33578 9.589573 56.91900       31.87530 -9.145000      49.75782 102.9000       41.51147 21.79382 10.04769 40.05747 10.47162 -18.26365      14.51244 
1 1 1 -10 34 29 o 53.37145 9.540189 173.8000       48.00991 0.000000       0.000000 173.8000       48.00991 ?        ?        53.37145 9.540189 ?              ?        
1 1 1 -10 34 30 o 20.20136 9.367292 -13.00000      44.17125 -13.00000      44.17125 0.000000       0.000000 20.20136 9.367292 ?        ?        ?              ?        
1 1 1 -10 34 31 o 17.49611 7.953324 -6.546907      29.74671 3.495000       46.84924 -13.33000      38.50422 22.24679 10.06030 18.88688 8.753614 3.359913       13.33549 
1 1 1 -10 34 32 o 20.07508 8.648033 9.545726       30.81525 -7.446000      50.09371 19.89000       39.08539 21.73630 10.04267 23.09188 9.838755 -1.355576      14.05903 
1 1 1 -10 34 33 o 18.89130 8.353064 2.634584       30.41460 -42.83000      49.02082 31.09000       38.78167 18.69453 9.008738 24.71551 10.10487 -6.020973      13.53757 
1 1 1 -10 34 34 o 19.07445 8.335907 5.451869       29.48732 -49.86000      46.39037 42.95000       38.19649 17.65442 8.568848 26.72190 10.31168 -9.067480      13.40731 
1 1 1 -10 34 35 o 32.04630 11.75016 73.30000       48.22198 73.30000       48.22198 0.000000       0.000000 32.04630 11.75016 ?        ?        ?              ?        
1 1 1 -10 34 36 o 26.35762 9.344950 42.43880       30.19328 46.58000       45.34387 39.14000       40.47006 27.50820 11.04178 26.05940 10.44134 1.448795       15.19679 
1 1 1 -10 34 37 o 16.41119 7.923800 -39.99000      38.37169 0.000000       0.000000 -39.99000      38.37169 ?        ?        16.41119 7.923800 ?              ?        
1 1 1 -10 34 38 o 17.04661 7.800340 -7.791459      29.22576 2.321000       42.99152 -16.48000      39.84996 21.18808 9.603808 18.67256 8.737713 2.515522       12.98387 
1 1 1 -10 34 39 o 33.32175 9.290617 70.89832       31.43609 32.44000       45.78437 105.2000       43.23941 25.22717 10.69468 39.06315 10.89780 -13.83597      15.26886 
1 1 1 -10 34 40 o 34.60330 9.086383 76.26269       31.16398 56.22000       45.51614 93.95000       42.75809 28.57598 11.19166 36.31591 11.04624 -7.739937      15.72491 
1 1 1 -10 34 41 o 34.61763 9.189305 77.49979       31.65324 115.3000       46.50778 44.88000       43.20351 39.74693 11.37658 26.46841 10.72336 13.27852       15.63384 
1 1 1 -10 34 42 o 37.24692 8.918624 88.91460       32.08506 94.29000       47.15345 84.28000       43.78392 34.72604 11.70842 33.32734 11.28222 1.398701       16.25963 
1 1 1 -10 34 43 o 19.91406 8.608217 13.22949       30.73819 -20.36000      43.43456 46.93000       43.50628 18.54092 8.810009 26.26889 10.71685 -7.727964      13.87325 
1 1 1 -10 35 1  o 42.26305 4.795771 91.59383       19.48892 14.20000       48.69850 106.3527       21.26614 25.30718 10.88642 45.55631 4.843214 -20.24913      11.91515 
1 1 1 -10 35 2  o 20.85468 6.992318 22.17866       16.81870 10.80000       46.30511 23.90792       18.05153 24.43642 10.56428 21.58096 7.244151 2.855457       12.80944 
1 1 1 -10 35 3  o 22.60662 6.867311 27.31028       16.53311 4.211000       45.35602 30.84988       17.75470 23.41471 10.28257 23.89383 7.084480 -0.4791164     12.48684 
1 1 1 -10 35 4  o 45.76442 4.303326 106.3843       19.05072 124.6000       49.42656 103.2060       20.64593 45.32967 11.20444 44.88402 4.772417 0.4456482      12.17848 
1 1 1 -10 35 5  o 19.29444 6.756769 18.08782       15.74831 11.24000       45.03879 19.04168       16.80938 24.19013 10.43815 19.80106 6.976992 4.389067       12.55522 
1 1 1 -10 35 6  o 42.20703 6.719127 95.42873       26.82930 73.91000       48.89602 104.6982       32.09175 34.75611 11.91965 43.63245 7.800448 -8.876347      14.24517 
1 1 1 -10 35 7  f 51.68791 7.338845 144.5622       36.08736 182.6000       52.75106 111.1000       49.47665 56.10506 9.970905 42.25240 11.60787 13.85266       15.30234 
1 1 1 -10 35 8  o 23.09216 6.976030 28.80986       17.09366 -1.942000      45.89370 33.76317       18.41895 22.64081 10.12042 24.82817 7.176017 -2.187357      12.40638 
1 1 1 -10 35 9  o 60.64328 4.114924 186.0777       24.28124 124.4000       52.40240 202.9407       27.40022 44.41105 11.83944 63.16490 4.460402 -18.75385      12.65178 
1 1 1 -10 35 10 o 17.24523 6.678603 11.42834       16.06496 -6.976000      47.99655 13.75034       17.04829 22.46939 10.16972 18.18118 6.920779 4.288208       12.30123 
1 1 1 -10 35 11 o 22.33627 7.119318 26.67226       17.53746 0.000000       0.000000 26.67226       17.53746 ?        ?        22.33627 7.119318 ?              ?        
1 1 1 -10 35 12 o 21.77385 6.916563 25.26961       16.56434 -3.435000      45.99550 29.54717       17.75571 22.38443 10.05890 23.31675 7.123437 -0.9323215     12.32578 
1 1 1 -10 35 13 o 21.92580 9.007766 16.15921       31.00647 22.73000       45.04034 10.24000       42.74887 25.44362 10.68715 23.34490 10.12133 2.098722       14.71926 
1 1 1 -10 35 14 o 54.24675 4.136753 149.4484       21.79976 86.55000       50.52551 163.8358       24.16471 36.55671 12.11613 56.68396 4.389451 -20.12725      12.88673 
1 1 1 -10 35 15 o 37.97166 7.553209 80.32399       27.08531 116.6000       49.46943 64.79386       32.36790 42.74918 11.55080 33.00362 9.504852 9.745567       14.95872 
1 1 1 -10 35 16 o 17.02532 6.937531 8.414502       18.20559 0.7861000      44.78733 9.924470       19.92610 22.44404 10.01746 17.89804 7.271030 4.546001       12.37810 
1 1 1 -10 35 17 o 59.19045 3.984598 177.6145       22.95115 124.7000       49.65010 191.9941       25.88246 44.27230 11.39166 61.35601 4.337611 -17.08372      12.18954 
1 1 1 -10 35 18 o 41.12141 5.124859 88.29358       20.18150 49.66000       45.51878 97.74604       22.51545 29.41814 11.28140 43.12030 5.456456 -13.70216      12.53168 
1 1 1 -10 35 19 o 46.37318 4.603298 110.7697       20.61946 83.31000       44.63414 118.2200       23.24897 35.96729 11.34477 47.68056 5.058541 -11.71327      12.42146 
1 1 1 -10 35 20 o 24.31594 8.379695 32.41687       24.17485 47.87000       40.83830 24.08048       29.99496 28.75048 10.76259 23.02703 9.065122 5.723454       14.07159 
1 1 1 -10 35 21 o 22.31026 7.930699 26.07671       21.75864 -2.966000      40.87021 37.56432       25.70415 20.98531 9.451618 25.73647 8.644397 -4.751165      12.80854 
1 1 1 -10 35 22 o 46.96366 6.285293 118.9327       28.16833 68.75000       46.82068 147.4000       35.26413 32.51690 11.62549 51.67712 7.163975 -19.16022      13.65557 
1 1 1 -10 35 23 o 21.49384 7.037822 25.03989       17.06604 47.46000       45.33181 21.33758       18.42131 28.59674 11.17801 20.44905 7.294209 8.147686       13.34741 
1 1 1 -10 35 24 f 23.65089 9.156491 28.07550       30.19017 55.43000       47.48789 9.520000       39.11153 29.89949 11.50822 21.99988 9.607659 7.899607       14.99154 
1 1 1 -10 35 25 o 41.00526 10.60377 107.8000       42.87429 0.000000       0.000000 107.8000       42.87429 ?        ?        41.00526 10.60377 ?              ?        
1 1 1 -10 35 26 o 42.97899 8.176811 107.4379       33.14252 130.8000       52.98256 92.42000       42.47980 43.42523 12.04410 37.34601 10.92811 6.079224       16.26296 
1 1 1 -10 35 27 o 46.11741 7.879163 122.7304       34.29090 33.14000       52.34091 190.1000       45.38818 26.45284 11.33108 57.02903 8.380731 -30.57620      14.09362 
1 1 1 -10 35 28 o 37.41732 9.060875 85.85147       32.82856 69.07000       52.62864 96.54000       42.00163 31.50479 12.11797 38.06340 10.78410 -6.558607      16.22165 
1 1 1 -10 35 29 f 23.47438 9.234709 28.54142       31.10846 -42.73000      48.73185 77.56000       40.41435 18.64738 8.985040 33.85770 10.80919 -15.21033      14.05594 
1 1 1 -10 35 30 o 21.48831 8.921011 18.14870       30.84511 23.72000       49.27943 14.56000       39.55084 24.83006 10.81502 22.36152 9.714891 2.468546       14.53767 
1 1 1 -10 35 31 o 35.54865 11.07922 86.94000       42.69732 0.000000       0.000000 86.94000       42.69732 ?        ?        35.54865 11.07922 ?              ?        
1 1 1 -10 35 32 o 33.18056 11.95557 80.11000       49.62414 80.11000       49.62414 0.000000       0.000000 33.18056 11.95557 ?        ?        ?              ?        
1 1 1 -10 35 33 o 14.13384 6.847204 -36.77763      29.26206 -91.90000      45.63507 1.712000       38.13350 15.14880 7.560487 20.33301 9.146171 -5.184205      11.86648 
1 1 1 -10 35 34 o 16.24803 7.966968 -59.62000      43.12343 -59.62000      43.12343 0.000000       0.000000 16.24803 7.966968 ?        ?        ?              ?        
1 1 1 -10 35 35 o 25.18545 9.264813 37.66293       30.01936 57.18000       44.24873 21.02000       40.86095 29.18464 11.13999 23.24203 9.984653 5.942616       14.95970 
1 1 1 -10 35 36 o 30.89080 11.01866 66.64000       42.03590 0.000000       0.000000 66.64000       42.03590 ?        ?        30.89080 11.01866 ?              ?        
1 1 1 -10 35 37 o 29.85303 9.407352 57.42913       30.69774 54.47000       44.97576 60.01000       42.00286 28.49801 11.13559 29.56134 10.94413 -1.063330      15.61330 
1 1 1 -10 35 38 o 25.74492 9.368389 41.12979       30.56803 34.21000       45.26778 46.93000       41.44426 25.22444 10.66107 27.01810 10.64974 -1.793659      15.06902 
1 1 1 -10 35 39 o 16.45553 7.617481 -10.97538      29.02569 -3.605000      43.06613 -17.11000      39.29027 20.30551 9.356537 18.28311 8.593772 2.022408       12.70424 
1 1 1 -10 35 40 o 21.12269 8.801702 19.96058       30.18508 5.143000       43.50933 33.71000       41.91177 21.10887 9.604651 24.50707 10.30248 -3.398195      14.08512 
1 1 1 -10 35 41 o 28.84649 9.489093 56.22261       31.00976 75.26000       45.64148 39.90000       42.26208 31.15030 11.42982 25.27460 10.46306 5.875694       15.49569 
1 1 1 -10 36 1  o 40.76982 4.898869 85.92612       19.15857 91.28000       50.28103 85.01681       20.72176 37.70593 12.05869 40.33459 5.382851 -2.628658      13.20557 
1 1 1 -10 36 2  o 40.70583 4.931400 85.72722       19.24849 144.6000       50.82145 75.86758       20.79794 48.67768 10.93405 37.88007 5.793022 10.79762       12.37386 
1 1 1 -10 36 3  o 21.69705 6.968193 25.02442       16.77680 -7.057000      45.76232 30.00567       18.03229 21.92931 9.927251 23.47329 7.180140 -1.543985      12.25172 
1 1 1 -10 36 4  o 43.64858 4.593620 97.79168       19.33212 132.1000       48.97537 91.45934       21.04069 46.37951 10.96252 41.90686 5.243899 4.472641       12.15217 
1 1 1 -10 36 5  o 57.85902 3.893124 169.1428       21.91998 93.66000       51.50492 185.8389       24.22322 37.96124 12.21096 60.55120 4.111367 -22.58996      12.88453 
1 1 1 -10 36 6  o 15.29237 6.532519 2.085942       17.30985 23.73000       46.12690 -1.461660      18.67464 25.71290 10.80870 15.09164 6.613595 10.62126       12.67153 
1 1 1 -10 36 7  o 37.89622 9.343098 84.49352       34.43413 90.36000       49.17583 78.85000       48.23230 37.44161 11.92010 35.19976 11.84151 2.241852       16.80209 
1 1 1 -10 36 8  o 22.06103 8.463758 22.13496       25.62829 5.322000       47.11921 29.19830       30.54085 23.47046 10.38644 24.37213 9.266469 -0.9016685     13.91925 
1 1 1 -10 36 9  o 34.97408 5.944438 65.33801       19.62238 0.000000       0.000000 65.33801       19.62238 ?        ?        34.97408 5.944438 ?              ?        
1 1 1 -10 36 10 o 22.89672 7.438431 28.37589       19.08295 0.000000       0.000000 28.37589       19.08295 ?        ?        22.89672 7.438431 ?              ?        
1 1 1 -10 36 11 o 15.40616 7.322717 -29.27262      30.05305 -23.21000      45.65036 -33.91000      39.92547 20.16401 9.408146 17.83969 8.468097 2.324320       12.65788 
1 1 1 -10 36 12 o 12.06773 5.581222 -10.67748      15.52941 -13.14000      46.32713 -10.36575      16.48307 21.23682 9.755971 12.56102 5.788161 8.675800       11.34380 
1 1 1 -10 36 13 o 50.24991 4.314457 129.0752       21.01588 20.50000       49.79656 152.6048       23.18150 25.55590 11.00111 54.63545 4.371150 -29.07955      11.83771 
1 1 1 -10 36 14 f 14.21122 6.252975 -1.928678      16.84752 -54.46000      44.12490 7.036406       18.22853 17.30219 8.388291 16.65747 6.881408 0.6447220      10.84976 
1 1 1 -10 36 15 o 54.32171 4.236476 150.6157       22.34800 123.4000       49.76732 157.4897       25.01156 43.73634 11.48150 55.31783 4.662596 -11.58149      12.39212 
1 1 1 -10 36 16 o 39.60360 5.265940 82.38919       19.90804 43.38000       45.00336 91.88016       22.19815 28.19910 11.10302 41.68610 5.580294 -13.48700      12.42645 
1 1 1 -10 36 17 o 31.38941 6.455986 54.05433       19.17334 62.34000       43.84671 52.09541       21.31971 31.51112 11.25199 30.41016 7.262594 1.100960       13.39226 
1 1 1 -10 36 18 o 29.45684 6.718181 48.23807       18.94010 46.81000       42.70299 48.58780       21.13239 28.46590 10.92419 29.25672 7.380957 -0.7908249     13.18395 
1 1 1 -10 36 19 o 63.59180 3.802224 205.0582       23.55902 170.9000       50.61172 214.5067       26.61870 52.82339 10.15739 64.78615 4.220550 -11.96276      10.99935 
1 1 1 -10 36 20 o 72.42345 4.443412 269.2650       31.34774 201.6000       53.28122 305.0869       38.76745 57.81488 9.762439 76.44778 5.211963 -18.63290      11.06661 
1 1 1 -10 36 21 o 19.85148 8.205583 13.09515       25.93897 27.69000       44.14678 5.400000       32.05590 25.25323 10.59219 19.93602 8.702331 5.317209       13.70858 
1 1 1 -10 36 22 o 41.00624 5.935731 90.55439       23.13272 115.3000       47.58573 82.89690       26.47103 41.64638 11.36075 38.33028 7.322328 3.316101       13.51603 
1 1 1 -10 36 23 o 27.86678 6.528306 43.44320       17.49330 0.000000       0.000000 43.44320       17.49330 ?        ?        27.86678 6.528306 ?              ?        
1 1 1 -10 36 24 o 45.82391 10.32009 133.8000       45.17294 0.000000       0.000000 133.8000       45.17294 ?        ?        45.82391 10.32009 ?              ?        
1 1 1 -10 36 25 o 22.09676 9.020691 21.31460       30.84931 21.67000       48.92238 21.08000       39.74776 24.59942 10.74406 23.35052 9.934432 1.248894       14.63311 
1 1 1 -10 36 26 o 24.83380 9.328844 35.10648       30.73878 51.08000       50.71375 25.83000       38.64710 28.59121 11.60539 23.88374 9.956313 4.707470       15.29095 
1 1 1 -10 36 27 o 42.18618 8.414137 106.1756       33.52550 95.09000       52.93543 113.6000       43.32113 35.62964 12.39376 41.36809 10.63904 -5.738453      16.33384 
1 1 1 -10 36 28 f 39.38443 8.770703 94.20187       32.94357 61.71000       51.57169 116.6000       42.81834 30.12414 11.87809 42.23864 10.42158 -12.11451      15.80185 
1 1 1 -10 36 29 o 45.40950 7.716903 119.4146       33.07397 129.7000       51.30339 112.1000       43.26463 42.73001 11.85187 40.98929 10.67829 1.740719       15.95283 
1 1 1 -10 36 30 o 25.44827 9.333166 38.61338       30.42686 52.37000       46.98845 28.68000       39.92857 28.43418 11.29788 24.29479 10.12325 4.139387       15.16979 
1 1 1 -10 36 31 o 30.13395 9.466766 58.14694       31.10971 24.29000       47.60128 83.39000       41.10227 24.45680 10.64116 34.74686 10.87651 -10.29006      15.21620 
1 1 1 -10 36 32 o 27.88485 11.18071 49.50000       46.43889 49.50000       46.43889 0.000000       0.000000 27.88485 11.18071 ?        ?        ?              ?        
1 1 1 -10 36 33 o 19.84489 9.102245 -5.511000      40.11124 0.000000       0.000000 -5.511000      40.11124 ?        ?        19.84489 9.102245 ?              ?        
1 1 1 -10 36 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -10 36 35 o 14.47733 6.968233 -31.38010      29.12443 -1.789000      43.35281 -55.72000      39.31842 20.71341 9.486526 15.46970 7.589833 5.243710       12.14906 
1 1 1 -10 36 36 o 27.04079 9.428606 46.53885       30.64595 3.121000       44.49310 85.73000       42.27198 21.38352 9.722982 34.67911 11.05299 -13.29559      14.72090 
1 1 1 -10 36 37 o 29.59383 9.368880 57.39507       30.41496 24.73000       44.20919 86.75000       41.90938 23.68881 10.28146 34.66944 11.00034 -10.98062      15.05709 
1 1 1 -10 36 38 o 18.64025 8.202272 6.041469       28.99304 9.997000       43.12498 2.779000       39.16515 21.60678 9.722136 20.17282 9.152691 1.433960       13.35259 
1 1 1 -10 36 39 o 12.93067 6.360094 -44.99638      28.16892 -63.51000      41.30540 -28.90000      38.51460 15.23415 7.532215 16.88587 8.097717 -1.651720      11.05926 
1 1 1 -10 36 40 o 17.90849 8.058457 1.376679       29.63260 -21.58000      43.65620 20.99000       40.35218 18.41882 8.774753 22.24468 9.735696 -3.825865      13.10649 
1 1 1 -10 37 1  o 26.99436 6.796587 40.38464       17.94426 14.30000       46.58991 44.92810       19.44434 24.30952 10.55274 28.39300 7.033179 -4.083475      12.68172 
1 1 1 -10 37 2  o 66.36427 3.736112 222.2749       24.17147 240.2000       55.57680 218.0933       26.84320 64.60555 9.035293 65.46902 4.211159 -0.8634796     9.968469 
1 1 1 -10 37 3  o 65.24445 3.753797 214.9342       23.87170 245.6000       56.21407 208.1875       26.36725 65.32600 9.032740 63.94187 4.236716 1.384129       9.976981 
1 1 1 -10 37 4  o 54.63726 4.068256 151.7693       21.60107 151.3000       52.57280 151.8646       23.69345 49.05891 11.19580 54.43748 4.486344 -5.378578      12.06123 
1 1 1 -10 37 5  o 59.00171 4.461249 178.1902       25.57392 127.7000       52.64259 193.7871       29.25849 44.17533 11.90662 61.25676 4.921054 -17.08143      12.88349 
1 1 1 -10 37 6  o 33.64401 5.748815 60.46519       18.25234 9.696000       46.87075 69.54041       19.81665 23.74095 10.43844 36.10341 5.804278 -12.36247      11.94365 
1 1 1 -10 37 7  o 61.94508 3.830959 194.1929       23.11481 164.8000       53.40015 200.9701       25.64150 51.44753 10.94099 62.81724 4.194243 -11.36971      11.71738 
1 1 1 -10 37 8  o 18.83484 8.372156 -1.749705      30.95469 0.000000       0.000000 -1.749705      30.95469 ?        ?        18.83484 8.372156 ?              ?        
1 1 1 -10 37 9  o 26.98139 9.555818 41.40524       31.56402 7.112000       45.42555 73.42000       43.89056 23.12494 10.21745 33.85225 11.29469 -10.72731      15.23044 
1 1 1 -10 37 10 f 18.92218 6.802876 17.41304       16.05669 22.72000       42.70631 16.53933       17.32809 24.71019 10.39448 18.90447 7.023662 5.805717       12.54500 
1 1 1 -10 37 11 o 32.25996 6.413745 56.91230       19.53926 18.74000       43.75570 66.42022       21.83751 24.28381 10.38009 34.78378 6.656274 -10.49998      12.33094 
1 1 1 -10 37 12 o 14.16481 6.254406 -2.331305      16.99429 53.17000       41.13884 -13.75131      18.66095 29.68444 10.85797 12.96579 6.038094 16.71865       12.42393 
1 1 1 -10 37 13 o 22.99426 6.984243 29.24514       17.10162 5.065000       41.47335 34.19890       18.77185 22.03473 9.748030 24.68052 7.276073 -2.645798      12.16410 
1 1 1 -10 37 14 f 39.16295 5.249689 80.83717       19.61765 27.74000       43.10122 94.71120       22.03207 25.32047 10.53153 42.32570 5.443874 -17.00522      11.85533 
1 1 1 -10 37 15 o 32.78502 6.117536 58.51514       18.90981 26.25000       43.70963 65.94447       20.97420 25.11133 10.53660 34.68808 6.413481 -9.576748      12.33501 
1 1 1 -10 37 16 o 45.24088 4.814477 106.5218       20.99287 48.09000       45.70826 122.1423       23.63286 28.66426 11.21849 48.32036 5.072182 -19.65610      12.31185 
1 1 1 -10 37 17 o 55.47505 4.227741 157.7986       22.78394 94.90000       49.29512 174.8854       25.69294 37.10482 11.94713 58.21352 4.545036 -21.10870      12.78246 
1 1 1 -10 37 18 o 24.25094 7.528254 33.39753       19.73528 -2.034000      45.95298 41.41051       21.85324 21.82332 9.906528 26.72206 7.843276 -4.898745      12.63552 
1 1 1 -10 37 19 o 41.01169 6.208595 91.44694       24.14455 57.82000       48.69547 102.4089       27.80282 30.14028 11.63970 43.00964 6.832379 -12.86936      13.49681 
1 1 1 -10 37 20 o 51.57034 6.640921 146.1781       32.74504 150.1000       51.99442 143.6000       42.15519 47.55310 11.33202 48.85315 9.151822 -1.300049      14.56608 
1 1 1 -10 37 21 o 26.14635 8.118308 40.22797       22.94885 29.12000       46.43239 43.81844       26.39850 25.38011 10.76525 27.02385 8.746428 -1.643736      13.87049 
1 1 1 -10 37 22 o 25.87233 8.619680 39.86576       25.56429 0.000000       0.000000 39.86576       25.56429 ?        ?        25.87233 8.619680 ?              ?        
1 1 1 -10 37 23 o 21.10910 8.874686 15.76242       31.10352 13.25000       46.67046 17.77000       41.71890 23.25027 10.31046 23.10739 10.00857 0.1428776      14.36931 
1 1 1 -10 37 24 o 44.51001 8.243828 117.1878       34.59402 149.2000       52.29568 92.28000       46.12919 46.51476 11.54130 36.03492 11.55276 10.47984       16.32997 
1 1 1 -10 37 25 o 26.92925 9.577362 44.81410       31.73585 39.77000       50.81329 48.04000       40.63601 26.83374 11.31583 27.65813 10.64562 -0.8243961     15.53631 
1 1 1 -10 37 26 o 37.62793 9.043601 87.56185       32.89439 49.94000       52.16308 112.4000       42.38409 28.31446 11.66330 41.29967 10.47156 -12.98521      15.67438 
1 1 1 -10 37 27 o 19.72206 8.455624 10.40197       29.19562 32.20000       45.48114 -4.876000      38.07637 25.30816 10.69079 19.54252 8.927662 5.765636       13.92825 
1 1 1 -10 37 28 o 23.48479 9.087111 30.04395       29.72202 45.51000       45.98850 18.95000       38.94957 27.25923 11.05635 22.68356 9.746586 4.575670       14.73902 
1 1 1 -10 37 29 o 16.14335 7.495718 -13.45151      28.42954 -53.36000      43.07489 17.35000       37.84230 16.57284 8.091341 22.24429 9.582998 -5.671455      12.54208 
1 1 1 -10 37 30 o 22.19594 8.952455 23.78598       29.96222 -33.47000      44.31511 72.00000       40.66568 18.21284 8.721301 32.20116 10.87316 -13.98832      13.93868 
1 1 1 -10 37 31 o 19.95081 9.206344 -7.496000      41.90967 -7.496000      41.90967 0.000000       0.000000 19.95081 9.206344 ?        ?        ?              ?        
1 1 1 -10 37 32 o 17.16806 7.785851 -4.558359      28.30180 -14.05000      42.09420 3.272000       38.23336 19.29307 9.012485 20.36650 9.159948 -1.073425      12.85027 
1 1 1 -10 37 33 o 18.74265 8.713757 -11.86000      38.60976 0.000000       0.000000 -11.86000      38.60976 ?        ?        18.74265 8.713757 ?              ?        
1 1 1 -10 37 34 o 17.70358 7.958951 -1.336708      28.83083 72.80000       43.00072 -61.88000      38.85904 31.79828 11.16280 14.95689 7.378453 16.84139       13.38095 
1 1 1 -10 37 35 o 17.57471 8.340068 -23.36000      38.67625 0.000000       0.000000 -23.36000      38.67625 ?        ?        17.57471 8.340068 ?              ?        
1 1 1 -10 37 36 o 24.08475 10.37572 29.20000       44.36066 29.20000       44.36066 0.000000       0.000000 24.08475 10.37572 ?        ?        ?              ?        
1 1 1 -10 37 37 o 15.25224 7.236283 -20.82453      29.08372 -18.79000      42.05215 -22.69000      40.26709 18.45630 8.740230 17.77419 8.456232 0.6821156      12.16139 
1 1 1 -10 37 38 o 16.09484 7.502778 -12.11909      28.92727 -19.20000      42.76412 -6.146000      39.27668 18.49130 8.773500 19.02312 8.825131 -0.5318146     12.44417 
1 1 1 -10 38 1  o 54.99060 3.986345 153.8648       21.31135 154.9000       46.37160 153.5876       23.99555 50.85479 9.668963 54.64295 4.526910 -3.788162      10.67622 
1 1 1 -10 38 2  o 17.44984 6.810187 12.00897       16.80497 -19.60000      39.33747 19.06540       18.58634 18.83985 8.771284 19.84822 7.292008 -1.008375      11.40652 
1 1 1 -10 38 3  o 50.33103 4.793218 131.2337       23.32920 132.7000       45.98989 130.7256       27.07069 46.25147 10.41047 49.70229 5.665416 -3.450817      11.85221 
1 1 1 -10 38 4  o 16.36334 6.827718 6.035149       18.19987 3.229000       40.03665 6.766058       20.43309 21.50853 9.543225 17.22588 7.214403 4.282648       11.96331 
1 1 1 -10 38 5  o 23.32343 7.019017 30.21932       17.32881 39.88000       42.01148 28.23869       19.02242 27.19986 10.72206 22.69579 7.430208 4.504070       13.04495 
1 1 1 -10 38 6  o 32.75922 6.360323 58.74203       19.65927 0.000000       0.000000 58.74203       19.65927 ?        ?        32.75922 6.360323 ?              ?        
1 1 1 -10 38 7  o 30.53202 11.17935 58.26000       43.62714 0.000000       0.000000 58.26000       43.62714 ?        ?        30.53202 11.17935 ?              ?        
1 1 1 -10 38 8  o 24.06958 6.889842 32.40458       17.05708 56.96000       41.78368 27.49420       18.68487 30.22346 10.95958 22.39802 7.365707 7.825441       13.20477 
1 1 1 -10 38 9  f 16.86528 7.497607 -2.377871      24.83321 28.68000       41.00112 -20.37201      31.20868 25.10686 10.34105 16.49883 7.724413 8.608030       12.90751 
1 1 1 -10 38 10 o 37.83717 5.203855 75.59874       18.76310 77.37000       44.66000 75.21907       20.67644 34.12157 11.39345 37.40144 5.838489 -3.279869      12.80229 
1 1 1 -10 38 11 o 33.21126 5.732914 59.40434       17.96323 29.29000       42.93311 65.79484       19.77757 25.39461 10.53224 34.83605 6.017658 -9.441439      12.13014 
1 1 1 -10 38 12 o 22.47670 7.332204 27.93382       18.53174 -23.47000      42.31652 40.13161       20.61354 19.03032 8.936677 26.42691 7.577167 -7.396587      11.71655 
1 1 1 -10 38 13 o 38.01017 5.312923 76.68845       19.22770 102.5000       45.69501 71.13500       21.19547 39.13508 11.30027 36.08089 6.226430 3.054192       12.90212 
1 1 1 -10 38 14 o 55.28030 4.212834 156.8671       22.62391 181.3000       50.57090 150.7536       25.29651 54.36120 9.867277 53.77946 4.857815 0.5817451      10.99825 
1 1 1 -10 38 15 o 43.32523 5.073807 98.75106       21.10986 53.31000       47.49959 109.9351       23.56491 29.31229 11.44666 45.54113 5.390752 -16.22884      12.65252 
1 1 1 -10 38 16 o 20.63772 7.427359 22.10156       19.14565 39.78000       45.18991 18.23415       21.13635 26.92229 10.94509 19.90012 7.672930 7.022165       13.36671 
1 1 1 -10 38 17 o 23.57164 7.644118 31.64630       20.15796 -13.64000      45.58058 42.65711       22.47534 20.42112 9.485116 26.92048 7.968049 -6.499361      12.38779 
1 1 1 -10 38 18 o 28.59152 7.907025 48.35717       22.87206 84.55000       47.53377 37.45279       26.09105 34.54387 11.75472 25.24843 8.705282 9.295435       14.62721 
1 1 1 -10 38 19 o 28.07392 7.214373 45.63783       19.93084 7.876000       47.94375 53.52715       21.91417 22.79976 10.25561 30.30940 7.442070 -7.509642      12.67130 
1 1 1 -10 38 20 o 47.11406 6.733178 123.7378       30.16904 0.000000       0.000000 123.7378       30.16904 ?        ?        47.11406 6.733178 ?              ?        
1 1 1 -10 38 21 o 23.03056 8.739762 28.78826       27.13610 0.000000       0.000000 28.78826       27.13610 ?        ?        23.03056 8.739762 ?              ?        
1 1 1 -10 38 22 o 21.38731 7.065616 25.57556       17.18646 -2.164000      47.26791 29.80148       18.44919 21.54213 9.880804 22.81531 7.305256 -1.273176      12.28809 
1 1 1 -10 38 23 o 37.97606 9.018827 89.28053       33.02326 50.16000       48.73184 122.5000       44.90626 28.15511 11.39529 42.80637 10.73733 -14.65126      15.65704 
1 1 1 -10 38 24 f 20.64421 8.768705 13.94372       30.87988 -37.79000      46.10855 56.02000       41.58276 18.33586 8.810557 29.05091 10.86326 -10.71506      13.98701 
1 1 1 -10 38 25 o 17.81535 8.042967 -3.024550      29.79865 11.32000       45.43758 -13.85000      39.47251 22.57482 10.08192 18.84613 8.778278 3.728693       13.36799 
1 1 1 -10 38 26 o 24.92080 9.317204 36.67923       30.58618 3.302000       46.36279 62.40000       40.69926 21.84801 9.930652 30.19822 10.83393 -8.350208      14.69666 
1 1 1 -10 38 27 o 44.97860 7.827276 118.7978       33.20961 36.73000       48.15999 193.2000       45.85567 25.94800 10.98302 56.71935 8.522839 -30.77135      13.90200 
1 1 1 -10 38 28 o 28.97374 9.424260 53.97078       30.62700 60.31000       46.40933 49.08000       40.76396 29.46548 11.36742 27.55107 10.64701 1.914408       15.57488 
1 1 1 -10 38 29 o 30.06135 11.37451 63.84000       45.88363 63.84000       45.88363 0.000000       0.000000 30.06135 11.37451 ?        ?        ?              ?        
1 1 1 -10 38 30 o 27.25094 9.446192 47.52720       30.73779 81.18000       44.27653 16.22000       42.70562 33.35312 11.34490 22.59563 9.948306 10.75749       15.08892 
1 1 1 -10 38 31 o 14.08639 6.793759 -31.55809      28.01784 -66.97000      41.98996 -3.139000      37.61628 15.40612 7.613044 19.41593 8.871248 -4.009816      11.69006 
1 1 1 -10 38 32 o 15.71494 7.649687 -45.10000      37.70211 0.000000       0.000000 -45.10000      37.70211 ?        ?        15.71494 7.649687 ?              ?        
1 1 1 -10 38 33 o 22.10404 8.900092 25.19059       29.55737 16.83000       43.50206 32.36000       40.28403 22.53815 9.976543 24.31846 10.15334 -1.780313      14.23453 
1 1 1 -10 38 34 o 20.51419 8.611003 17.41988       29.21089 20.67000       43.49707 14.75000       39.42355 22.86612 10.05471 21.61814 9.536538 1.247980       13.85795 
1 1 1 -10 38 35 o 19.91307 8.535066 14.07810       29.73098 7.610000       44.34380 19.36000       40.07189 21.30961 9.696117 22.13778 9.695036 -0.8281651     13.71162 
1 1 1 -10 38 36 o 16.48353 7.614312 -8.133966      28.77684 -15.35000      41.75690 -1.607000      39.71318 18.57101 8.769036 19.50338 8.986204 -0.9323750     12.55579 
1 1 1 -10 39 1  o 22.51045 7.183208 28.16110       17.84950 39.16000       41.81687 25.71062       19.73798 26.75495 10.64911 21.83960 7.569624 4.915344       13.06533 
1 1 1 -10 39 2  o 28.12383 7.160546 45.04787       19.76077 70.64000       42.69216 38.06987       22.29259 32.70689 11.13982 25.65960 8.006800 7.047291       13.71876 
1 1 1 -10 39 3  o 28.43491 7.100102 45.96552       19.70034 97.72000       44.10170 33.06383       22.01936 38.37463 11.10778 24.14933 7.998351 14.22530       13.68782 
1 1 1 -10 39 4  o 28.52438 8.408288 48.26262       25.06972 24.60000       42.30360 61.07090       31.12370 24.48751 10.32558 31.46539 9.392300 -6.977877      13.95826 
1 1 1 -10 39 5  o 13.29989 6.135851 -10.76352      18.60074 0.000000       0.000000 -10.76352      18.60074 ?        ?        13.29989 6.135851 ?              ?        
1 1 1 -10 39 6  o 21.11865 7.365381 23.77503       18.70176 0.000000       0.000000 23.77503       18.70176 ?        ?        21.11865 7.365381 ?              ?        
1 1 1 -10 39 7  o 40.41822 4.971858 85.89841       19.25591 108.8000       44.77898 80.70272       21.32865 40.56725 11.00163 38.68848 5.811622 1.878769       12.44230 
1 1 1 -10 39 8  o 16.15248 6.576206 8.077923       16.34175 55.15000       43.38464 0.2950293      17.64107 29.50848 11.08330 14.83521 6.466077 14.67326       12.83159 
1 1 1 -10 39 9  o 21.01904 6.913775 24.07781       16.46199 78.34000       44.91768 15.65866       17.69305 33.95269 11.42741 18.55257 7.053210 15.40012       13.42883 
1 1 1 -10 39 10 o 15.67205 7.206978 -11.24153      25.37137 -24.74000      43.59576 -4.328363      31.19900 19.09143 8.998056 18.26748 8.240021 0.8239460      12.20094 
1 1 1 -10 39 11 o 30.01922 6.530297 50.41054       18.64123 63.24000       45.41763 47.81142       20.44247 30.82627 11.38610 28.83861 7.250586 1.987661       13.49868 
1 1 1 -10 39 12 o 38.46517 5.807967 80.07852       21.18680 50.19000       46.15183 88.05918       23.84823 28.46931 11.23320 40.05190 6.290201 -11.58259      12.87444 
1 1 1 -10 39 13 o 22.59375 7.576194 28.68712       19.74473 30.47000       45.10073 28.26439       21.96112 25.32545 10.66924 22.59217 7.973550 2.733278       13.31954 
1 1 1 -10 39 14 f 34.56977 6.209401 66.01477       20.23907 41.49000       47.12874 71.56037       22.41081 26.97516 11.09626 35.73708 6.651380 -8.761921      12.93707 
1 1 1 -10 39 15 o 49.90238 4.700992 130.3311       22.69185 106.7000       51.26997 136.0880       25.30535 38.05199 12.17746 50.66047 5.175784 -12.60848      13.23175 
1 1 1 -10 39 16 o 46.89466 5.516958 117.9906       24.83989 82.76000       50.59666 129.1785       28.51248 33.56684 12.07504 48.61113 6.128197 -15.04428      13.54110 
1 1 1 -10 39 17 o 56.95058 4.995366 171.0556       27.56485 94.97000       53.13964 199.0650       32.24181 35.37693 12.40998 61.05251 5.452556 -25.67558      13.55500 
1 1 1 -10 39 18 o 23.09161 7.669883 30.72767       20.24420 -17.20000      48.10528 41.04232       22.31653 20.28771 9.527524 26.19616 7.982742 -5.908449      12.42972 
1 1 1 -10 39 19 o 43.22298 5.816980 101.6404       23.98620 0.000000       0.000000 101.6404       23.98620 ?        ?        43.22298 5.816980 ?              ?        
1 1 1 -10 39 20 o 45.55872 5.876060 112.9424       25.59417 24.03000       50.26855 144.0574       29.73719 24.71512 10.84025 51.38434 6.026797 -26.66923      12.40295 
1 1 1 -10 39 21 o 43.54716 6.033042 103.9146       25.02601 80.50000       47.93320 112.6890       29.34283 33.18474 11.77355 44.64293 6.940340 -11.45819      13.66693 
1 1 1 -10 39 22 o 22.20205 6.851687 28.13216       16.37531 -13.06000      43.60791 34.89415       17.66833 19.72527 9.200726 24.52350 7.009777 -4.798235      11.56678 
1 1 1 -10 39 23 o 33.29770 9.235385 70.70569       31.15226 54.65000       44.96941 85.52000       43.19598 28.55298 11.14124 34.66395 11.18565 -6.110970      15.78753 
1 1 1 -10 39 24 o 21.65622 8.868996 21.38679       29.93809 -34.63000      43.63714 71.20000       41.14996 17.91401 8.598291 31.80875 10.93392 -13.89475      13.90976 
1 1 1 -10 39 25 o 36.27076 9.047270 82.90712       32.01169 61.93000       46.31156 102.1000       44.29824 29.66758 11.37867 37.94460 11.17488 -8.277020      15.94842 
1 1 1 -10 39 26 o 39.11654 8.461559 93.33447       31.45439 88.29000       44.54732 98.35000       44.41941 34.86051 11.36782 37.04413 11.25697 -2.183620      15.99834 
1 1 1 -10 39 27 o 37.18822 8.815689 86.19827       31.59798 54.62000       46.00440 114.4000       43.47536 28.37326 11.20903 40.82773 10.73756 -12.45447      15.52216 
1 1 1 -10 39 28 o 16.20770 7.899476 -47.83000      40.55734 -47.83000      40.55734 0.000000       0.000000 16.20770 7.899476 ?        ?        ?              ?        
1 1 1 -10 39 29 o 19.30807 8.322318 10.11516       28.56892 -8.542000      42.21503 25.88000       38.80512 19.69186 9.140160 23.31849 9.863873 -3.626629      13.44762 
1 1 1 -10 39 30 o 26.48021 10.51672 44.87000       40.69759 0.000000       0.000000 44.87000       40.69759 ?        ?        26.48021 10.51672 ?              ?        
1 1 1 -10 39 31 o 37.18082 8.815297 87.60286       31.59130 65.19000       46.44522 106.9000       43.09620 29.61132 11.38535 38.62241 10.91732 -9.011089      15.77384 
1 1 1 -10 39 32 o 30.49263 9.375384 62.20269       30.69444 59.19000       45.69367 64.68000       41.43509 28.42805 11.18947 29.67478 10.89007 -1.246731      15.61403 
1 1 1 -10 39 33 o 18.06754 8.064680 3.134904       29.03328 23.66000       43.39341 -13.50000      39.06532 22.98179 10.07609 18.28529 8.586715 4.696501       13.23855 
1 1 1 -10 39 34 o 22.78529 8.977454 30.77763       29.43933 17.02000       43.28412 42.62000       40.15837 21.98888 9.828784 25.30611 10.30670 -3.317225      14.24195 
1 1 1 -10 40 1  o 14.71412 6.549727 -2.731561      19.01338 63.33000       41.78157 -19.98485      21.35238 30.80708 10.98566 13.11271 6.215095 17.69437       12.62189 
1 1 1 -10 40 2  o 48.01519 7.278028 130.4293       33.13474 98.77000       46.85542 162.1000       46.86379 37.54774 11.59042 51.09043 9.726294 -13.54269      15.13072 
1 1 1 -10 40 3  o 35.49438 5.582625 67.99014       18.75591 51.98000       45.64700 71.24220       20.57280 28.65107 11.21166 36.07601 6.039256 -7.424938      12.73476 
1 1 1 -10 40 4  o 32.28820 6.461955 58.20878       19.70939 0.000000       0.000000 58.20878       19.70939 ?        ?        32.28820 6.461955 ?              ?        
1 1 1 -10 40 5  o 30.34766 6.362264 51.42215       18.29410 45.17000       45.19309 52.64741       20.00655 27.47557 11.02522 30.41623 6.881279 -2.940657      12.99644 
1 1 1 -10 40 6  o 16.67366 6.721946 9.812107       16.88324 -8.219000      41.96500 13.29422       18.44154 20.10176 9.253051 17.97498 7.098197 2.126778       11.66205 
1 1 1 -10 40 7  o 33.62474 5.879713 61.87497       18.64753 40.71000       43.60980 66.61068       20.62853 26.60173 10.77501 34.64687 6.315334 -8.045135      12.48937 
1 1 1 -10 40 8  o 67.50253 3.745273 232.4120       24.64926 197.7000       53.12156 241.9366       27.82628 55.81748 10.09434 68.54913 4.166804 -12.73164      10.92053 
1 1 1 -10 40 9  o 19.75973 6.975128 20.67248       16.80624 34.91000       44.20177 18.26641       18.17092 25.64093 10.66500 19.22556 7.182745 6.415369       12.85823 
1 1 1 -10 40 10 o 36.99541 5.347074 73.53856       18.80185 48.71000       45.90998 78.54200       20.60943 27.82449 11.13033 38.02256 5.714126 -10.19807      12.51142 
1 1 1 -10 40 11 o 18.52913 7.936976 7.955046       25.68094 -29.37000      44.84672 26.16615       31.32554 18.70661 8.906716 22.90368 9.183068 -4.197073      12.79290 
1 1 1 -10 40 12 o 24.64693 7.504447 35.54622       19.72783 11.59000       44.73898 41.32861       21.98015 22.57867 10.04896 26.32459 7.901241 -3.745916      12.78324 
1 1 1 -10 40 13 o 30.26481 7.472123 53.87458       22.00090 33.35000       46.37683 59.83504       24.99215 25.45760 10.77672 31.51476 8.068192 -6.057156      13.46229 
1 1 1 -10 40 14 o 50.21537 4.585416 131.9808       22.28989 92.68000       49.35339 142.0515       24.98304 35.20184 11.97761 51.80743 4.988185 -16.60558      12.97479 
1 1 1 -10 40 15 o 16.68395 7.194598 4.354925       21.37031 10.56000       44.70399 2.516895       24.33039 22.37579 9.996120 17.19349 7.541404 5.182308       12.52179 
1 1 1 -10 40 16 o 37.86229 5.864815 78.46709       21.03309 43.27000       47.66415 86.97819       23.43856 26.92713 11.12606 39.62470 6.249993 -12.69757      12.76133 
1 1 1 -10 40 17 o 59.93009 4.678766 188.0181       27.22884 0.000000       0.000000 188.0181       27.22884 ?        ?        59.93009 4.678766 ?              ?        
1 1 1 -10 40 18 o 18.50685 7.622937 12.38051       22.28098 0.000000       0.000000 12.38051       22.28098 ?        ?        18.50685 7.622937 ?              ?        
1 1 1 -10 40 19 o 16.17811 6.883059 5.424112       19.08105 -51.91000      44.09196 18.63574       21.16563 16.82556 8.208518 19.70780 7.656591 -2.882238      11.22511 
1 1 1 -10 40 20 o 37.39178 6.635117 79.00180       23.39526 102.4000       47.39463 71.46360       26.90120 37.33161 11.67851 34.38301 8.123195 2.948597       14.22582 
1 1 1 -10 40 21 o 43.57230 5.987400 104.4525       24.86161 83.82000       47.43647 112.2663       29.19212 33.46941 11.72632 44.39260 6.945650 -10.92319      13.62897 
1 1 1 -10 40 22 o 28.26779 9.451209 51.64982       30.72992 16.67000       44.74034 82.89000       42.28120 22.92186 10.13334 34.03094 11.07336 -11.10909      15.01013 
1 1 1 -10 40 23 o 40.21608 8.418326 98.55678       32.07346 113.2000       46.40177 85.16000       44.38298 39.68832 11.36482 34.12845 11.35716 5.559868       16.06687 
1 1 1 -10 40 24 f 22.53546 8.937303 26.68268       29.35172 25.06000       41.41669 28.32000       41.60313 23.57563 10.08862 24.05693 10.19644 -0.4812984     14.34391 
1 1 1 -10 40 25 o 20.90920 8.693953 18.51844       29.35899 21.09000       41.61393 15.97000       41.42646 22.97073 9.972419 22.28368 9.805040 0.6870499      13.98528 
1 1 1 -10 40 26 o 23.22714 10.02063 23.56000       41.49168 23.56000       41.49168 0.000000       0.000000 23.22714 10.02063 ?        ?        ?              ?        
1 1 1 -10 40 27 o 20.49925 8.775047 14.48381       31.35243 10.57000       43.26952 18.81000       45.49198 21.82738 9.786573 23.06983 10.20751 -1.242453      14.14108 
1 1 1 -10 40 28 o 21.15837 8.749932 20.36016       29.51371 -25.37000      43.69141 58.74000       40.02638 18.41057 8.772916 28.86723 10.68419 -10.45667      13.82447 
1 1 1 -10 40 29 o 18.25382 8.561223 -14.25000      38.62536 0.000000       0.000000 -14.25000      38.62536 ?        ?        18.25382 8.561223 ?              ?        
1 1 1 -10 40 30 o 40.87535 8.348545 103.7958       32.27209 84.24000       47.10095 121.1000       44.30641 32.56456 11.65820 41.01218 10.86508 -8.447620      15.93623 
1 1 1 -10 40 31 o 19.68136 8.433560 14.00861       29.01410 11.36000       43.33815 16.16000       39.05896 21.43397 9.685952 21.45739 9.477819 -0.2341652E-01 13.55163 
1 1 1 -10 40 32 o 16.41909 7.585359 -7.679247      28.56955 -30.16000      42.58522 10.72000       38.52596 17.46189 8.410155 20.58027 9.230434 -3.118383      12.48726 
1 1 1 -10 41 1  o 30.56368 7.198826 54.33527       21.17897 -11.90000      42.84794 75.74928       24.36320 19.72571 9.173770 36.31645 7.108273 -16.59075      11.60541 
1 1 1 -10 41 2  o 28.14543 7.429632 46.67658       20.76493 0.000000       0.000000 46.67658       20.76493 ?        ?        28.14543 7.429632 ?              ?        
1 1 1 -10 41 3  o 22.90655 7.443280 30.27146       19.10725 0.000000       0.000000 30.27146       19.10725 ?        ?        22.90655 7.443280 ?              ?        
1 1 1 -10 41 4  o 20.48273 7.086110 22.97253       17.29350 6.424000       41.63503 26.42279       19.01100 21.40372 9.598029 21.68300 7.432520 -0.2792816     12.13938 
1 1 1 -10 41 5  o 47.48260 4.493581 117.8297       20.63646 81.80000       45.58294 127.1180       23.14409 33.55861 11.50875 49.05592 4.884802 -15.49731      12.50250 
1 1 1 -10 41 6  o 15.54264 6.512756 5.865747       16.66477 42.13000       41.91210 -0.9440714     18.16217 26.39608 10.60868 14.62727 6.461857 11.76881       12.42174 
1 1 1 -10 41 7  o 16.46919 6.641130 9.847923       16.48410 7.054000       41.48880 10.37164       17.96275 21.41085 9.592728 17.00132 6.904714 4.409531       11.81928 
1 1 1 -10 41 8  o 16.83389 6.717285 11.03243       16.68004 -16.41000      41.20827 16.40967       18.24118 18.92190 8.864388 18.63561 7.142814 0.2862854      11.38408 
1 1 1 -10 41 9  o 14.63564 6.312230 2.180406       16.45457 18.28000       40.88732 -0.9309077     17.97434 22.73207 9.876755 14.55836 6.430021 8.173707       11.78539 
1 1 1 -10 41 10 o 15.10549 6.443944 3.756604       16.80291 -17.83000      41.15602 8.074562       18.40689 18.79191 8.821099 16.58327 6.888637 2.208647       11.19219 
1 1 1 -10 41 11 o 14.87658 6.937199 -14.48754      24.76367 -46.19000      40.27164 4.788533       31.40235 16.36128 7.951029 19.24695 8.499994 -2.885664      11.63910 
1 1 1 -10 41 12 o 25.92104 7.461819 39.68245       19.95279 -4.675000      43.19328 51.71569       22.49697 20.45325 9.404874 29.43881 7.715298 -8.985561      12.16460 
1 1 1 -10 41 13 o 22.15147 8.472640 26.31992       25.62984 15.29000       44.24550 31.89000       31.44226 22.76994 10.07114 23.86822 9.315247 -1.098286      13.71866 
1 1 1 -10 41 14 o 36.07114 8.009432 78.19866       27.54245 77.30000       46.32533 78.69000       34.25410 32.36478 11.56466 34.59102 9.717588 -2.226238      15.10539 
1 1 1 -10 41 15 o 31.97194 6.890829 58.92615       20.92863 5.732000       46.01059 72.80341       23.50053 21.86846 9.921369 35.55183 7.002451 -13.68336      12.14364 
1 1 1 -10 41 16 o 19.15014 7.702782 15.66700       22.11518 0.000000       0.000000 15.66700       22.11518 ?        ?        19.15014 7.702782 ?              ?        
1 1 1 -10 41 17 o 25.84941 7.564875 39.90059       20.35513 3.735000       46.30854 48.56142       22.66173 21.67037 9.878957 28.30193 7.887132 -6.631563      12.64123 
1 1 1 -10 41 18 o 27.78049 7.393443 45.84526       20.45695 54.32000       45.69412 43.72089       22.87770 28.21190 11.16303 26.76273 8.067288 1.449175       13.77295 
1 1 1 -10 41 19 o 30.57444 6.783226 53.86950       19.76912 29.90000       44.88728 59.63762       22.01968 24.54343 10.50280 31.90461 7.220067 -7.361172      12.74512 
1 1 1 -10 41 20 o 33.70644 6.857188 65.39959       21.85289 76.35000       43.57558 61.72027       25.25875 32.32132 11.24468 31.78379 8.097347 0.5375252      13.85676 
1 1 1 -10 41 21 o 18.78586 7.675319 14.04530       22.35592 53.45000       41.25658 -2.334704      26.59966 28.05614 10.74499 16.94327 7.628598 11.11287       13.17765 
1 1 1 -10 41 22 o 35.44262 11.25090 92.27000       43.83593 0.000000       0.000000 92.27000       43.83593 ?        ?        35.44262 11.25090 ?              ?        
1 1 1 -10 41 23 o 21.41026 8.746684 21.93544       29.02904 -5.075000      40.80622 49.61000       41.30484 19.69008 9.085424 27.18152 10.65667 -7.491440      14.00391 
1 1 1 -10 41 24 o 28.67158 9.362389 54.11868       30.21117 34.53000       42.64238 73.86000       42.80819 24.78725 10.40431 31.63538 11.13519 -6.848125      15.23949 
1 1 1 -10 41 25 o 28.90770 10.98226 59.81000       42.87708 59.81000       42.87708 0.000000       0.000000 28.90770 10.98226 ?        ?        ?              ?        
1 1 1 -10 41 26 o 21.30852 8.736037 22.08522       29.08681 22.05000       41.26466 22.12000       41.00647 22.73874 9.900438 22.72004 9.881129 0.1870728E-01  13.98769 
1 1 1 -10 41 27 o 23.11748 10.01375 25.26000       41.76892 0.000000       0.000000 25.26000       41.76892 ?        ?        23.11748 10.01375 ?              ?        
1 1 1 -10 41 28 o 21.13855 8.721675 22.01436       29.23249 47.03000       43.88116 2.055000       39.19635 26.17990 10.73133 19.82878 9.058270 6.351118       14.04328 
1 1 1 -10 41 29 o 21.81880 8.881064 25.96829       29.79588 82.41000       44.88749 -18.49000      39.83838 32.02328 11.39013 17.84949 8.468714 14.17379       14.19346 
1 1 1 -10 41 30 o 19.64340 8.427595 14.57807       29.03882 4.363000       43.00375 23.14000       39.37053 20.45870 9.398885 22.21322 9.671100 -1.754519      13.48589 
1 1 1 -10 42 1  o 35.87269 6.525374 72.54299       22.06886 0.000000       0.000000 72.54299       22.06886 ?        ?        35.87269 6.525374 ?              ?        
1 1 1 -10 42 2  o 23.21011 8.011046 31.35917       22.09767 0.000000       0.000000 31.35917       22.09767 ?        ?        23.21011 8.011046 ?              ?        
1 1 1 -10 42 3  o 27.12813 8.037313 44.65354       22.85877 0.000000       0.000000 44.65354       22.85877 ?        ?        27.12813 8.037313 ?              ?        
1 1 1 -10 42 4  o 13.55687 6.235405 -9.005997      19.00368 -20.48000      41.60575 -5.981158      21.36225 18.58981 8.770390 14.86825 6.751337 3.721560       11.06798 
1 1 1 -10 42 5  o 30.98035 6.572792 54.68943       19.31353 11.34000       43.54068 65.30811       21.54957 22.12844 9.876803 33.80810 6.748486 -11.67965      11.96216 
1 1 1 -10 42 6  o 17.47496 6.909453 12.86430       17.49394 8.202000       41.33718 13.88149       19.30822 21.40637 9.584117 18.14001 7.230895 3.266363       12.00588 
1 1 1 -10 42 7  o 13.49476 6.077596 -4.271170      16.89621 19.32000       40.57950 -9.218852      18.58373 22.67239 9.845260 13.34408 6.147893 9.328305       11.60714 
1 1 1 -10 42 8  o 15.65080 6.633273 5.265697       17.60582 -13.61000      42.07977 9.271062       19.38398 19.23674 8.994272 17.05645 7.075754 2.180298       11.44392 
1 1 1 -10 42 9  o 18.75339 7.086421 17.35665       17.79556 -5.628000      41.81172 22.44127       19.66564 19.95239 9.202961 20.45115 7.502866 -0.4987564     11.87382 
1 1 1 -10 42 10 o 43.75398 4.985054 101.9985       20.96943 123.5000       46.99241 96.65263       23.43167 41.69014 11.25501 41.94956 5.866701 -0.2594223     12.69226 
1 1 1 -10 42 11 o 13.65793 6.208057 -6.069676      18.11925 -43.06000      42.45613 2.168053       20.03549 16.97391 8.228903 15.78295 6.884849 1.190968       10.72921 
1 1 1 -10 42 12 o 27.42377 9.793727 49.20481       33.21914 30.03000       45.34782 71.41000       48.79980 24.54481 10.53102 30.87147 11.71905 -6.326658      15.75559 
1 1 1 -10 42 13 o 21.00909 7.592227 24.38730       20.02992 3.861000       43.60460 29.87677       22.54978 21.19124 9.631581 22.69531 8.072969 -1.504070      12.56743 
1 1 1 -10 42 14 o 23.24079 8.640834 31.33502       26.23487 0.000000       0.000000 31.33502       26.23487 ?        ?        23.24079 8.640834 ?              ?        
1 1 1 -10 42 15 o 49.87039 5.434258 134.3788       26.09846 0.000000       0.000000 134.3788       26.09846 ?        ?        49.87039 5.434258 ?              ?        
1 1 1 -10 42 16 f 21.61393 7.595165 26.55222       19.91031 45.94000       43.94823 21.54532       22.33375 26.71323 10.81799 20.49126 7.890840 6.221973       13.39008 
1 1 1 -10 42 17 o 44.81374 5.053360 107.4063       21.78045 114.6000       47.45326 105.4863       24.51531 39.41159 11.55498 43.78737 5.867350 -4.375782      12.95930 
1 1 1 -10 42 18 o 41.22216 5.388055 92.12811       21.22060 49.49000       45.86676 103.7406       23.93650 27.23748 11.04383 43.47816 5.766543 -16.24068      12.45870 
1 1 1 -10 42 19 o 18.39628 7.149759 15.96012       18.46164 54.15000       42.10368 6.869792       20.54167 27.89991 10.81005 16.76887 7.138276 11.13103       12.95423 
1 1 1 -10 42 20 o 19.01458 7.571402 16.52595       21.14723 26.26000       41.47907 13.10720       24.58193 23.45036 10.06679 18.93497 7.920395 4.515388       12.80910 
1 1 1 -10 42 21 o 37.67278 8.665911 89.18054       31.28962 72.88000       43.59452 106.5000       44.93638 31.24491 11.21227 38.01167 11.27076 -6.766762      15.89796 
1 1 1 -10 42 22 o 30.42151 9.377090 61.53114       30.68211 47.68000       43.68964 75.01000       43.09851 26.72115 10.79875 31.67626 11.17090 -4.955111      15.53712 
1 1 1 -10 42 23 o 19.05450 8.927923 -11.68000      41.82910 -11.68000      41.82910 0.000000       0.000000 19.05450 8.927923 ?        ?        ?              ?        
1 1 1 -10 42 24 o 19.21247 8.407623 9.367435       30.08623 -7.589000      41.44912 28.25000       43.73997 19.30631 8.993548 23.62691 10.24081 -4.320602      13.62931 
1 1 1 -10 42 25 o 32.00819 9.343861 69.38853       31.08834 32.59000       44.58854 104.2000       43.36797 24.11533 10.39573 37.19763 11.08296 -13.08230      15.19550 
1 1 1 -10 42 26 o 23.62152 10.11489 31.55000       41.68248 0.000000       0.000000 31.55000       41.68248 ?        ?        23.62152 10.11489 ?              ?        
1 1 1 -10 42 27 o 32.04885 9.340462 70.94775       31.08816 72.55000       44.35074 69.40000       43.58973 29.93109 11.21355 29.44850 11.09898 0.4825821      15.77755 
1 1 1 -10 42 28 o 19.36220 8.375048 13.40378       29.13282 7.829000       41.79919 18.67000       40.62593 20.51172 9.364129 21.60886 9.599044 -1.097141      13.41002 
1 1 1 -10 43 1  f 18.46525 8.389319 -2.364807      33.04195 0.000000       0.000000 -2.364807      33.04195 ?        ?        18.46525 8.389319 ?              ?        
1 1 1 -10 43 2  o 13.88784 6.239322 -3.595202      17.68500 -6.371000      42.09971 -3.000422      19.48783 19.83824 9.180099 14.64197 6.566139 5.196266       11.28665 
1 1 1 -10 43 3  o 18.01272 7.221874 13.57232       19.37361 11.13000       43.10861 14.19044       21.68711 21.86387 9.788253 18.64061 7.580774 3.223265       12.38055 
1 1 1 -10 43 4  f 17.39089 7.144496 10.81814       19.50500 4.066000       43.11670 12.55546       21.87084 21.07906 9.579398 18.32067 7.549984 2.758389       12.19701 
1 1 1 -10 43 5  o 16.85762 7.111301 7.719023       20.07896 0.000000       0.000000 7.719023       20.07896 ?        ?        16.85762 7.111301 ?              ?        
1 1 1 -10 43 6  o 43.00326 5.053974 99.03599       20.86795 63.94000       44.89398 108.7090       23.56892 29.67365 11.24585 44.73541 5.497969 -15.06176      12.51786 
1 1 1 -10 43 7  o 24.93450 7.607911 37.32940       20.26150 63.28000       42.73855 29.80606       23.01184 29.68415 11.03022 22.65287 8.144054 7.031284       13.71099 
1 1 1 -10 43 8  f 21.42181 7.327319 26.19236       18.47429 -48.14000      41.54519 44.51368       20.62577 16.36757 7.981307 27.23234 7.500013 -10.86478      10.95224 
1 1 1 -10 43 9  o 20.05013 7.218008 21.85267       18.08311 -11.97000      41.89018 29.59890       20.04719 19.24850 8.991321 22.50349 7.634070 -3.254988      11.79504 
1 1 1 -10 43 10 f 33.56253 6.964962 65.43800       22.13101 70.93000       44.12954 63.59262       25.58034 30.97641 11.25864 32.15441 8.125452 -1.178001      13.88452 
1 1 1 -10 43 11 o 17.31353 7.271052 9.010927       20.84304 15.02000       41.97104 7.043882       24.01337 22.13507 9.798704 17.71934 7.633696 4.415735       12.42127 
1 1 1 -10 43 12 o 17.88430 7.770279 6.228225       25.30528 -18.93000      41.99590 20.57015       31.70812 18.62934 8.795829 21.52694 8.999386 -2.897593      12.58394 
1 1 1 -10 43 13 o 16.47461 7.326308 0.2262266      23.73092 0.000000       0.000000 0.2262266      23.73092 ?        ?        16.47461 7.326308 ?              ?        
1 1 1 -10 43 14 o 16.93122 7.340194 5.090787       22.48077 8.426000       43.46954 3.873082       26.26603 21.47682 9.703413 17.68284 7.792998 3.793974       12.44536 
1 1 1 -10 43 15 o 21.79724 7.683161 27.49524       20.38567 65.16000       43.05049 16.60855       23.14507 29.73949 11.06663 19.35740 7.846446 10.38209       13.56603 
1 1 1 -10 43 16 o 14.96372 6.639628 -0.6071934     19.38224 -32.87000      41.67228 8.298779       21.89460 17.35117 8.347321 17.36320 7.379649 -0.1203918E-01 11.14168 
1 1 1 -10 43 17 o 19.59481 7.476225 19.76367       19.92390 4.784000       42.72681 23.92599       22.52250 20.91642 9.517399 20.97182 7.961356 -0.5539322E-01 12.40823 
1 1 1 -10 43 18 o 36.70773 6.027401 75.40300       20.90578 24.33000       44.21302 90.11010       23.72565 23.36247 10.20863 39.99149 6.266694 -16.62902      11.97863 
1 1 1 -10 43 19 o 24.83007 7.522025 37.46572       19.85462 -23.31000      41.74496 55.23308       22.57098 18.02941 8.586788 30.07536 7.650290 -12.04596      11.50043 
1 1 1 -10 43 20 o 17.83753 8.011351 1.329664       29.13235 -9.312000      41.18133 11.99000       41.21744 19.07842 8.912875 21.31744 9.555294 -2.239017      13.06687 
1 1 1 -10 43 21 o 29.17460 9.461073 58.25058       30.87968 56.80000       43.67919 59.70000       43.66175 27.74119 10.93362 28.23626 10.98933 -0.4950695     15.50192 
1 1 1 -10 43 22 o 22.60095 9.894857 23.50000       41.71250 23.50000       41.71250 0.000000       0.000000 22.60095 9.894857 ?        ?        ?              ?        
1 1 1 -10 43 23 o 20.79161 8.684525 20.93750       29.49044 -5.585000      41.70578 47.46000       41.70578 19.27981 8.994563 25.91433 10.52231 -6.634525      13.84273 
1 1 1 -10 43 24 o 28.10492 10.88489 61.94000       42.67517 0.000000       0.000000 61.94000       42.67517 ?        ?        28.10492 10.88489 ?              ?        
1 1 1 -10 43 25 o 14.46784 6.962205 -26.87143      29.03853 -48.23000      41.60521 -6.584000      40.54854 15.93580 7.816247 18.87973 8.827922 -2.943930      11.79093 
1 1 1 -10 44 1  o 21.68727 7.463059 27.16508       19.17295 44.23000       40.44064 22.21723       21.77580 26.15189 10.45135 20.50376 7.817670 5.648125       13.05170 
1 1 1 -10 44 2  o 33.34190 8.436568 69.63671       27.55116 103.7000       43.04548 45.99877       35.85825 37.90038 10.97499 26.44566 10.04409 11.45473       14.87731 
1 1 1 -10 44 3  o 27.56439 7.161087 45.14275       19.49333 48.87000       42.70587 44.16178       21.90886 26.94538 10.74955 26.84077 7.846418 0.1046085      13.30861 
1 1 1 -10 44 4  o 27.85995 7.448238 46.73031       20.70283 57.42000       43.81970 43.65858       23.48977 28.36370 11.01752 26.48055 8.212011 1.883148       13.74129 
1 1 1 -10 44 5  o 25.66741 7.593358 39.94577       20.41543 52.83000       43.76764 36.36293       23.08008 27.54881 10.91739 24.36101 8.191348 3.187799       13.64872 
1 1 1 -10 44 6  o 25.05664 7.257197 37.56625       18.81993 24.87000       44.11968 40.39030       20.80800 23.43876 10.22072 25.74278 7.678579 -2.304014      12.78373 
1 1 1 -10 44 7  o 20.31157 7.273279 22.95490       18.33386 65.99000       45.28274 14.51729       20.05077 29.65097 11.28106 18.28496 7.341505 11.36601       13.45957 
1 1 1 -10 44 8  o 20.88751 7.687843 24.34041       20.67436 0.000000       0.000000 24.34041       20.67436 ?        ?        20.88751 7.687843 ?              ?        
1 1 1 -10 44 9  o 21.34242 7.623863 26.11134       20.13124 24.76000       43.37113 26.48243       22.72789 23.28677 10.14436 21.60539 8.040703 1.681377       12.94454 
1 1 1 -10 44 10 o 27.01271 7.767518 44.86538       21.63241 40.26000       43.21176 46.40553       24.98919 25.41822 10.55631 27.01115 8.484408 -1.592922      13.54330 
1 1 1 -10 44 11 o 14.77462 6.687956 -4.307885      20.76615 0.000000       0.000000 -4.307885      20.76615 ?        ?        14.77462 6.687956 ?              ?        
1 1 1 -10 44 12 o 11.74884 5.731802 -31.84291      21.49907 0.000000       0.000000 -31.84291      21.49907 ?        ?        11.74884 5.731802 ?              ?        
1 1 1 -10 44 13 f 13.29878 6.399556 -26.66420      24.53292 -2.360000      40.87504 -40.34908      30.67171 19.80043 9.120771 14.03182 6.845717 5.768613       11.40405 
1 1 1 -10 44 14 o 34.97455 7.332629 72.92390       24.29897 22.27000       42.91559 96.82534       29.47955 22.82740 10.01407 39.97729 7.813785 -17.14989      12.70185 
1 1 1 -10 44 15 o 15.14259 6.903546 -5.425065      22.61885 6.797000       40.21259 -11.08160      27.35678 20.54449 9.302554 15.78314 7.336810 4.761346       11.84763 
1 1 1 -10 44 16 o 34.16477 6.596647 67.65736       21.26128 9.160000       43.33069 86.20744       24.40059 21.20029 9.622134 38.56575 6.707273 -17.36545      11.72915 
1 1 1 -10 44 17 o 18.46946 7.386794 15.79415       20.21725 -21.14000      43.21533 26.14243       22.87483 18.32343 8.729598 21.34135 8.040952 -3.017916      11.86856 
1 1 1 -10 44 18 o 36.83860 6.072925 76.98012       21.13576 -1.434000      44.79149 99.44109       23.97246 20.20723 9.391526 42.00768 6.000422 -21.80046      11.14477 
1 1 1 -10 44 19 o 20.81237 8.772727 20.48934       30.51866 -15.88000      42.98693 57.45000       43.33498 18.56893 8.806251 27.46182 10.86952 -8.892885      13.98916 
1 1 1 -10 44 20 o 23.04170 10.00478 29.04000       41.89776 29.04000       41.89776 0.000000       0.000000 23.04170 10.00478 ?        ?        ?              ?        
1 1 1 -10 44 21 o 29.90788 9.391393 63.06247       30.61978 31.35000       41.88626 99.46000       44.87377 23.24418 10.04821 34.82706 11.41267 -11.58287      15.20577 
1 1 1 -10 44 22 o 22.14196 8.873912 29.44505       29.23901 22.06000       40.51751 37.47000       42.23643 21.87242 9.657501 24.03595 10.23389 -2.163528      14.07124 
1 1 1 -10 45 1  o 19.14867 7.301413 18.82586       18.99542 27.15000       37.83974 16.02146       21.96333 23.01154 9.737520 18.93598 7.655117 4.075565       12.38629 
1 1 1 -10 45 2  o 20.54054 7.374002 23.78651       18.85819 60.11000       38.36113 12.21087       21.65559 28.89285 10.49767 18.04118 7.481091 10.85167       12.89061 
1 1 1 -10 45 3  o 12.42544 6.073174 -35.98314      24.46285 -6.635000      35.81390 -61.65211      33.49389 18.34640 8.481771 13.39621 6.651319 4.950191       10.77870 
1 1 1 -10 45 4  o 33.11340 6.362594 62.73443       19.87344 20.70000       40.00759 76.50426       22.89834 22.29744 9.727732 36.39502 6.673560 -14.09759      11.79683 
1 1 1 -10 45 5  o 19.90193 7.400116 21.50266       19.24257 28.08000       38.51165 19.31424       22.21430 23.17782 9.816455 19.71628 7.789047 3.461540       12.53124 
1 1 1 -10 45 6  o 13.88311 6.284070 -4.385019      18.33087 42.76000       38.19625 -18.49245      20.89425 25.50351 10.16887 12.85858 6.110094 12.64493       11.86336 
1 1 1 -10 45 7  o 28.88369 7.470205 50.88871       21.27657 25.56000       38.94186 61.66742       25.40349 22.75621 9.761168 31.24470 8.203377 -8.488495      12.75052 
1 1 1 -10 45 8  o 11.43101 5.518041 -23.13632      18.58425 -21.52000      35.81267 -23.73198      21.74062 16.80601 7.989680 12.56940 6.042348 4.236610       10.01723 
1 1 1 -10 45 9  o 23.60571 7.253497 33.69754       18.37628 31.89000       38.59516 34.22743       20.89698 23.58702 9.899246 23.58554 7.791064 0.1482010E-02  12.59745 
1 1 1 -10 45 10 o 26.59962 8.033847 44.76794       22.67250 0.000000       0.000000 44.76794       22.67250 ?        ?        26.59962 8.033847 ?              ?        
1 1 1 -10 45 11 o 33.21773 7.347694 66.69917       23.25648 0.000000       0.000000 66.69917       23.25648 ?        ?        33.21773 7.347694 ?              ?        
1 1 1 -10 45 12 o 17.86118 7.210261 14.05173       19.45370 28.67000       37.68773 8.742066       22.71357 22.89470 9.704343 17.42955 7.465128 5.465151       12.24346 
1 1 1 -10 45 13 o 23.40296 8.999312 34.39732       29.02025 37.78000       38.73636 30.07000       43.81248 24.30844 10.03571 23.46231 10.20867 0.8461361      14.31546 
1 1 1 -10 45 14 o 17.94968 7.292365 14.21168       20.04435 5.255000       37.34741 17.83544       23.75561 19.62504 8.917392 19.36823 7.912443 0.2568073      11.92169 
1 1 1 -10 45 15 f 16.60992 7.295604 4.556526       22.84217 29.11000       37.53998 -9.878798      28.78398 22.72676 9.661292 16.10311 7.499110 6.623657       12.23018 
1 1 1 -10 45 16 o 24.32296 7.626975 37.28913       20.20217 10.35000       37.81533 48.04842       23.89835 20.15312 9.082864 27.06130 8.263658 -6.908180      12.27951 
1 1 1 -10 45 17 o 18.81212 7.753719 16.28694       23.07190 -27.21000      36.97897 44.01187       29.52301 16.30895 7.850339 25.26198 9.204725 -8.953032      12.09772 
1 1 1 -10 45 18 o 20.84063 8.693071 22.66566       29.48872 18.21000       38.71889 28.82000       45.50484 21.15758 9.386328 23.02006 10.19605 -1.862480      13.85866 
1 1 1 -10 46 1  o 22.48522 7.395076 30.83967       18.83400 65.16000       37.70703 19.43110       21.74013 29.36761 10.44007 19.44785 7.698393 9.919760       12.97152 
1 1 1 -10 46 2  o 28.51802 6.994122 49.07704       19.37231 15.35000       37.91610 60.99154       22.53578 20.93459 9.287896 31.52191 7.426724 -10.58731      11.89207 
1 1 1 -10 46 3  o 18.03476 7.151627 15.50722       18.79261 -5.709000      37.70731 22.51847       21.67650 18.50085 8.604727 20.18212 7.773324 -1.681271      11.59594 
1 1 1 -10 46 4  o 24.69500 8.677125 40.02803       25.98657 -1.799000      39.55060 71.80253       34.47180 19.19948 8.889176 31.41013 9.977838 -12.21065      13.36318 
1 1 1 -10 46 5  o 20.89310 7.369186 25.85577       18.75585 -6.515000      38.74311 35.76440       21.43506 18.57305 8.666287 23.80121 7.891815 -5.228161      11.72115 
1 1 1 -10 46 6  o 27.63280 8.170943 49.55677       23.64388 47.62000       40.34372 50.57000       29.18036 25.72296 10.38356 27.02639 9.209692 -1.303431      13.87936 
1 1 1 -10 46 7  o 20.44814 7.379134 24.45109       18.91312 1.047000       38.60069 31.84466       21.69583 19.27097 8.871998 22.60527 7.929593 -3.334299      11.89919 
1 1 1 -10 46 8  o 20.95440 7.418289 26.22342       19.02074 22.48000       41.46109 27.22127       21.40626 22.05208 9.751581 21.29634 7.825381 0.7557449      12.50320 
1 1 1 -10 46 9  o 22.08494 7.987426 30.21194       22.17504 0.000000       0.000000 30.21194       22.17504 ?        ?        22.08494 7.987426 ?              ?        
1 1 1 -10 46 10 o 13.05327 6.069911 -9.627659      18.74973 15.38000       37.35246 -18.05143      21.67883 20.62639 9.180923 13.01982 6.197241 7.606572       11.07678 
1 1 1 -10 46 11 o 17.12351 7.042100 12.15092       18.97591 -4.746000      38.42851 17.59959       21.82201 18.50480 8.633309 18.86099 7.628418 -0.3561954     11.52071 
1 1 1 -10 46 12 o 25.70987 7.700373 42.22015       20.89338 74.33000       40.37794 30.47907       24.41626 30.36742 10.80267 22.11242 8.312628 8.254997       13.63076 
1 1 1 -10 46 13 o 29.10019 8.394321 56.49364       25.22690 87.59000       41.24161 37.90266       31.88834 32.84508 10.94832 23.73114 9.345464 9.113937       14.39456 
1 1 1 -10 47 1  o 22.13037 7.509523 30.66256       19.39851 44.68000       40.84067 26.57882       22.04384 24.75015 10.26932 20.96196 7.894516 3.788185       12.95308 
1 1 1 -10 47 2  o 30.13225 7.692662 57.98296       22.76394 50.55000       41.71305 61.13552       27.16581 25.62973 10.47937 29.83445 8.741550 -4.204718      13.64668 
1 1 1 -10 47 3  o 25.34682 7.916140 42.02721       21.78557 3.933000       39.80726 58.31534       26.02965 19.44311 8.972204 29.29515 8.549362 -9.852036      12.39323 
1 1 1 -10 47 4  o 13.11386 6.455132 -42.68700      29.19952 -16.96000      36.34531 -89.52000      49.03767 16.85338 8.022607 15.12945 7.592391 1.723928       11.04566 
1 1 1 -10 47 5  o 16.31660 7.858199 -25.29000      37.16907 -25.29000      37.16907 0.000000       0.000000 16.31660 7.858199 ?        ?        ?              ?        
1 1 1 -9  0  1  o 706.6574 26.55781 24800.00       1831.094 24800.00       1831.094 24800.00       1831.094 706.6574 26.55781 706.6574 26.55781 0.000000       0.000000 
1 1 1 -9  0  2  o 557.0630 20.97446 15350.00       1139.985 15350.00       1139.985 15350.00       1139.985 557.0630 20.97446 557.0630 20.97446 0.000000       0.000000 
1 1 1 -9  0  3  o 165.3682 7.215117 1347.000       116.2817 1347.000       116.2817 1347.000       116.2817 165.3682 7.215117 165.3682 7.215117 0.000000       0.000000 
1 1 1 -9  0  4  o 124.3829 6.147117 763.1000       74.42197 763.1000       74.42197 763.1000       74.42197 124.3829 6.147117 124.3829 6.147117 0.000000       0.000000 
1 1 1 -9  0  5  o 179.7961 7.689570 1592.000       134.7637 1592.000       134.7637 1592.000       134.7637 179.7961 7.689570 179.7961 7.689570 0.000000       0.000000 
1 1 1 -9  0  6  o 506.7622 19.11704 12680.00       945.2000 12680.00       945.2000 12680.00       945.2000 506.7622 19.11704 506.7622 19.11704 0.000000       0.000000 
1 1 1 -9  0  7  o 366.6062 9.879738 6599.996       353.9467 6599.996       353.9467 6599.996       353.9467 366.6062 9.879738 366.6062 9.879738 0.000000       0.000000 
1 1 1 -9  0  8  o 576.0151 15.21964 16318.64       856.7592 16318.64       856.7592 16318.64       856.7592 576.0151 15.21964 576.0151 15.21964 0.000000       0.000000 
1 1 1 -9  0  9  o 277.8896 7.696242 3790.857       208.9794 3790.857       208.9794 3790.857       208.9794 277.8896 7.696242 277.8896 7.696242 0.000000       0.000000 
1 1 1 -9  0  10 o 787.4041 20.72418 30573.06       1594.780 30573.06       1594.780 30573.06       1594.780 787.4041 20.72418 787.4041 20.72418 0.000000       0.000000 
1 1 1 -9  0  11 o 265.4576 10.51885 3470.000       272.3421 3470.000       272.3421 3470.000       272.3421 265.4576 10.51885 265.4576 10.51885 0.000000       0.000000 
1 1 1 -9  0  12 o 681.5274 25.61205 23030.00       1703.088 23030.00       1703.088 23030.00       1703.088 681.5274 25.61205 681.5274 25.61205 0.000000       0.000000 
1 1 1 -9  0  13 o 161.2899 7.320572 1282.000       115.0298 1282.000       115.0298 1282.000       115.0298 161.2899 7.320572 161.2899 7.320572 0.000000       0.000000 
1 1 1 -9  0  14 o 495.8847 18.75268 12150.00       907.2684 12150.00       907.2684 12150.00       907.2684 495.8847 18.75268 495.8847 18.75268 0.000000       0.000000 
1 1 1 -9  0  15 o 309.5893 8.505853 4706.960       257.3168 4706.960       257.3168 4706.960       257.3168 309.5893 8.505853 309.5893 8.505853 0.000000       0.000000 
1 1 1 -9  0  16 f 154.9481 5.160340 1179.506       78.06867 1179.506       78.06867 1179.506       78.06867 154.9481 5.160340 154.9481 5.160340 0.000000       0.000000 
1 1 1 -9  0  17 o 87.89957 4.803487 381.6953       41.04449 381.6953       41.04449 381.6953       41.04449 87.89957 4.803487 87.89957 4.803487 0.000000       0.000000 
1 1 1 -9  0  18 o 145.5455 5.004740 1041.031       71.10818 1041.031       71.10818 1041.031       71.10818 145.5455 5.004740 145.5455 5.004740 0.000000       0.000000 
1 1 1 -9  0  19 o 118.6964 4.720612 693.1974       54.64814 693.1974       54.64814 693.1974       54.64814 118.6964 4.720612 118.6964 4.720612 0.000000       0.000000 
1 1 1 -9  0  20 o 85.02499 4.756156 357.3572       39.29768 357.3572       39.29768 357.3572       39.29768 85.02499 4.756156 85.02499 4.756156 0.000000       0.000000 
1 1 1 -9  0  21 o 45.74044 6.932317 109.3497       28.92907 109.3497       28.92907 109.3497       28.92907 45.74044 6.932317 45.74044 6.932317 0.000000       0.000000 
1 1 1 -9  0  22 o 73.60654 4.881571 268.8725       34.81061 268.8725       34.81061 268.8725       34.81061 73.60654 4.881571 73.60654 4.881571 0.000000       0.000000 
1 1 1 -9  0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  24 o 136.6237 4.860515 917.9562       64.81335 917.9562       64.81335 917.9562       64.81335 136.6237 4.860515 136.6237 4.860515 0.000000       0.000000 
1 1 1 -9  0  25 o 233.2034 6.771666 2674.149       154.2790 2674.149       154.2790 2674.149       154.2790 233.2034 6.771666 233.2034 6.771666 0.000000       0.000000 
1 1 1 -9  0  26 o 168.2689 7.821853 1399.000       128.1945 1399.000       128.1945 1399.000       128.1945 168.2689 7.821853 168.2689 7.821853 0.000000       0.000000 
1 1 1 -9  0  27 o 238.1167 6.883308 2789.007       160.1293 2789.007       160.1293 2789.007       160.1293 238.1167 6.883308 238.1167 6.883308 0.000000       0.000000 
1 1 1 -9  0  28 o 179.4026 5.663814 1582.801       99.23427 1582.801       99.23427 1582.801       99.23427 179.4026 5.663814 179.4026 5.663814 0.000000       0.000000 
1 1 1 -9  0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  0  31 o 107.8299 4.767479 573.3802       50.09480 573.3802       50.09480 573.3802       50.09480 107.8299 4.767479 107.8299 4.767479 0.000000       0.000000 
1 1 1 -9  0  32 o 59.21651 5.872275 177.1189       33.21293 177.1189       33.21293 177.1189       33.21293 59.21651 5.872275 59.21651 5.872275 0.000000       0.000000 
1 1 1 -9  0  33 o 80.94861 7.754036 331.3000       60.06189 331.3000       60.06189 331.3000       60.06189 80.94861 7.754036 80.94861 7.754036 0.000000       0.000000 
1 1 1 -9  0  34 o 91.83757 7.437904 423.5000       65.82047 423.5000       65.82047 423.5000       65.82047 91.83757 7.437904 91.83757 7.437904 0.000000       0.000000 
1 1 1 -9  0  35 o 51.74808 6.712357 138.2840       32.42406 138.2840       32.42406 138.2840       32.42406 51.74808 6.712357 51.74808 6.712357 0.000000       0.000000 
1 1 1 -9  0  36 f 17.46347 10.16362 18.54647       28.63677 18.54647       28.63677 18.54647       28.63677 17.46347 10.16362 17.46347 10.16362 0.000000       0.000000 
1 1 1 -9  0  37 o 90.98940 6.654485 415.1000       58.52271 415.1000       58.52271 415.1000       58.52271 90.98940 6.654485 90.98940 6.654485 0.000000       0.000000 
1 1 1 -9  0  38 o 10.44941 7.329398 -29.76783      28.47785 -29.76783      28.47785 -29.76783      28.47785 10.44941 7.329398 10.44941 7.329398 0.000000       0.000000 
1 1 1 -9  0  39 o 45.02775 8.346570 110.3419       33.07128 110.3419       33.07128 110.3419       33.07128 45.02775 8.346570 45.02775 8.346570 0.000000       0.000000 
1 1 1 -9  0  40 o 9.795540 6.978024 -41.13127      29.36182 -41.13127      29.36182 -41.13127      29.36182 9.795540 6.978024 9.795540 6.978024 0.000000       0.000000 
1 1 1 -9  0  41 o 60.51966 6.334527 187.3112       36.49641 187.3112       36.49641 187.3112       36.49641 60.51966 6.334527 60.51966 6.334527 0.000000       0.000000 
1 1 1 -9  0  42 o 46.90039 8.287586 119.4128       34.50108 119.4128       34.50108 119.4128       34.50108 46.90039 8.287586 46.90039 8.287586 0.000000       0.000000 
1 1 1 -9  0  43 o 13.29916 8.825654 -6.759060      30.45274 -6.759060      30.45274 -6.759060      30.45274 13.29916 8.825654 13.29916 8.825654 0.000000       0.000000 
1 1 1 -9  0  44 o 15.48217 9.748893 7.280527       31.13297 7.280527       31.13297 7.280527       31.13297 15.48217 9.748893 15.48217 9.748893 0.000000       0.000000 
1 1 1 -9  0  45 o 121.4135 5.120154 734.2698       60.60268 734.2698       60.60268 734.2698       60.60268 121.4135 5.120154 121.4135 5.120154 0.000000       0.000000 
1 1 1 -9  0  46 o 77.06838 5.650500 300.2968       42.08751 300.2968       42.08751 300.2968       42.08751 77.06838 5.650500 77.06838 5.650500 0.000000       0.000000 
1 1 1 -9  0  47 o 43.48220 9.347758 108.2648       34.92044 108.2648       34.92044 108.2648       34.92044 43.48220 9.347758 43.48220 9.347758 0.000000       0.000000 
1 1 1 -9  0  48 o 30.79553 11.88125 67.27930       33.95095 67.27930       33.95095 67.27930       33.95095 30.79553 11.88125 30.79553 11.88125 0.000000       0.000000 
1 1 1 -9  0  49 o 91.49126 5.320016 422.1544       47.27112 422.1544       47.27112 422.1544       47.27112 91.49126 5.320016 91.49126 5.320016 0.000000       0.000000 
1 1 1 -9  0  50 o 55.89882 11.19232 181.6000       54.32948 181.6000       54.32948 181.6000       54.32948 55.89882 11.19232 55.89882 11.19232 0.000000       0.000000 
1 1 1 -9  0  51 o 14.95147 9.638612 3.998767       32.65203 3.998767       32.65203 3.998767       32.65203 14.95147 9.638612 14.95147 9.638612 0.000000       0.000000 
1 1 1 -9  0  52 o 47.40543 12.07006 139.6000       48.41700 139.6000       48.41700 139.6000       48.41700 47.40543 12.07006 47.40543 12.07006 0.000000       0.000000 
1 1 1 -9  0  53 f 64.32938 9.010331 227.6000       53.54633 227.6000       53.54633 227.6000       53.54633 64.32938 9.010331 64.32938 9.010331 0.000000       0.000000 
1 1 1 -9  0  54 o 28.70172 11.91404 62.25312       33.32985 62.25312       33.32985 62.25312       33.32985 28.70172 11.91404 28.70172 11.91404 0.000000       0.000000 
1 1 1 -9  0  55 o 47.51648 8.365200 126.7269       35.30572 126.7269       35.30572 126.7269       35.30572 47.51648 8.365200 47.51648 8.365200 0.000000       0.000000 
1 1 1 -9  0  56 o 11.68831 8.275702 -42.18000      39.11253 -42.18000      39.11253 -42.18000      39.11253 11.68831 8.275702 11.68831 8.275702 0.000000       0.000000 
1 1 1 -9  0  57 o 17.52722 10.44229 21.27848       31.48474 21.27848       31.48474 21.27848       31.48474 17.52722 10.44229 17.52722 10.44229 0.000000       0.000000 
1 1 1 -9  0  58 o 14.32727 9.346662 1.902174       31.97841 1.902174       31.97841 1.902174       31.97841 14.32727 9.346662 14.32727 9.346662 0.000000       0.000000 
1 1 1 -9  0  59 o 38.03672 10.71393 92.51299       34.53074 92.51299       34.53074 92.51299       34.53074 38.03672 10.71393 38.03672 10.71393 0.000000       0.000000 
1 1 1 -9  0  60 o 32.62604 11.62516 75.56241       33.84320 75.56241       33.84320 75.56241       33.84320 32.62604 11.62516 32.62604 11.62516 0.000000       0.000000 
1 1 1 -9  0  61 o 19.40747 11.05053 30.61410       32.76315 30.61410       32.76315 30.61410       32.76315 19.40747 11.05053 19.40747 11.05053 0.000000       0.000000 
1 1 1 -9  0  62 o 18.14705 11.67056 15.54000       47.49878 15.54000       47.49878 15.54000       47.49878 18.14705 11.67056 18.14705 11.67056 0.000000       0.000000 
1 1 1 -9  1  1  f 257.7375 7.171082 3258.570       180.7367 3554.000       270.4014 3020.000       242.9907 268.8594 10.29391 247.8369 10.03730 21.02255       14.37748 
1 1 1 -9  1  2  o 675.8732 17.86191 22579.99       1180.643 23230.00       1704.130 21980.00       1637.241 682.0213 25.57223 663.5579 25.25346 18.46344       35.93990 
1 1 1 -9  1  3  o 399.6007 10.69974 7845.883       418.1332 8318.000       615.7989 7442.000       569.5632 410.6121 15.34850 388.4271 15.00874 22.18500       21.46716 
1 1 1 -9  1  4  o 362.5527 9.761070 6454.326       346.0824 6334.000       483.2643 6581.000       495.8471 358.5650 13.79499 365.4837 13.88558 -6.918701      19.57323 
1 1 1 -9  1  5  o 556.0747 14.71183 15229.97       800.0632 15250.00       1132.227 15210.00       1130.696 554.6629 20.89176 553.9343 20.89105 0.7286377      29.54490 
1 1 1 -9  1  6  o 195.1658 4.682095 1865.193       89.44380 1821.000       152.9943 1888.140       110.2467 192.5617 8.135394 196.2515 5.745320 -3.689743      9.959585 
1 1 1 -9  1  7  o 481.7898 10.41929 11390.94       491.3626 11700.00       867.5457 11244.98       596.2108 486.6001 18.24668 478.2062 12.74870 8.393921       22.25917 
1 1 1 -9  1  8  o 399.5239 8.717001 7826.648       340.8914 7751.000       586.6425 7865.214       418.8678 396.5564 15.14122 400.1751 10.70313 -3.618713      18.54221 
1 1 1 -9  1  9  o 165.3348 3.638739 1338.285       58.88726 1403.743       85.39664 1278.939       81.31178 169.2231 5.161584 161.5187 5.149675 7.704407       7.291166 
1 1 1 -9  1  10 f 324.6727 7.194732 5165.875       228.6476 5104.000       392.4542 5197.670       281.3251 322.0562 12.47306 325.4412 8.839590 -3.384979      15.28776 
1 1 1 -9  1  11 o 149.1233 3.978732 1089.575       58.02407 1086.000       99.40523 1091.423       71.46169 148.7134 6.847310 149.2063 4.899696 -0.4929047     8.419779 
1 1 1 -9  1  12 o 397.8427 8.694647 7762.366       338.5864 7612.000       577.8691 7840.973       417.8185 392.8804 15.05453 399.4995 10.69439 -6.619080      18.46642 
1 1 1 -9  1  13 o 493.6842 13.11567 11995.35       633.2294 12200.00       906.1229 11800.00       885.2839 496.4589 18.67983 488.2773 18.55671 8.181580       26.33035 
1 1 1 -9  1  14 o 160.6677 4.223330 1264.936       66.36105 1283.408       82.05048 1230.000       112.8384 161.7872 5.187912 158.2350 7.305020 3.552139       8.959785 
1 1 1 -9  1  15 o 299.4749 6.721194 4395.838       197.0212 4346.473       239.5667 4499.000       346.3195 297.5651 8.232958 302.2864 11.72672 -4.721313      14.32821 
1 1 1 -9  1  16 o 74.22125 3.511537 270.3337       25.43891 261.9851       35.80201 278.8466       36.15264 72.95646 5.044519 75.28735 4.932995 -2.330894      7.055608 
1 1 1 -9  1  17 o 162.3348 3.709341 1290.481       58.94061 1260.515       82.38332 1321.903       84.36108 160.3062 5.257392 164.1674 5.256650 -3.861206      7.434551 
1 1 1 -9  1  18 o 296.9219 5.789390 4321.651       168.2602 4256.437       235.5691 4389.578       240.4165 294.3276 8.184704 298.8931 8.225368 -4.565460      11.60371 
1 1 1 -9  1  19 o 182.9308 3.976331 1639.139       71.19927 1603.440       99.45663 1676.666       101.9724 180.7644 5.627869 184.8485 5.642471 -4.084122      7.969340 
1 1 1 -9  1  20 o 260.7730 5.184771 3333.547       132.3422 3342.653       187.5346 3324.515       186.7879 260.8125 7.353270 260.1047 7.343944 0.7077942      10.39250 
1 1 1 -9  1  21 o 218.9157 6.369405 2353.905       136.3390 2392.000       194.3616 2317.000       191.2998 220.2850 9.033198 216.7980 9.034534 3.486984       12.77582 
1 1 1 -9  1  22 o 202.9142 4.929267 2018.756       97.90414 2128.321       123.8212 1836.000       159.9174 208.1618 6.083504 192.9873 8.486412 15.17451       10.44166 
1 1 1 -9  1  23 o 148.1048 5.082658 1077.013       73.57363 1082.000       103.9163 1072.000       104.1819 148.2095 7.184507 147.5145 7.237342 0.6950684      10.19786 
1 1 1 -9  1  24 o 207.3802 5.006589 2109.486       101.6285 2103.686       124.6239 2121.000       175.5898 206.8860 6.160956 207.3077 8.672373 -0.4216614     10.63802 
1 1 1 -9  1  25 f 142.6435 4.071006 998.2079       56.78264 976.3000       98.88496 1008.986       69.35754 140.7078 7.203666 143.3304 4.951101 -2.622543      8.741064 
1 1 1 -9  1  26 o 238.2762 4.838915 2785.338       112.8587 2793.888       159.8760 2776.845       159.3379 238.2564 6.862546 237.5284 6.860451 0.7280273      9.703625 
1 1 1 -9  1  27 o 185.1707 4.673655 1683.157       84.64239 1668.000       144.5899 1691.060       104.4004 183.7921 8.056779 185.4615 5.757961 -1.669388      9.902818 
1 1 1 -9  1  28 o 124.2290 3.474620 756.9496       42.20945 751.8210       59.31370 762.2115       60.08004 123.6731 4.909501 124.5229 4.938979 -0.8497620     6.963958 
1 1 1 -9  1  29 o 117.0797 3.479388 672.4918       39.82983 676.2267       56.57081 668.8204       56.08807 117.2617 4.939737 116.6184 4.924657 0.6433258      6.975189 
1 1 1 -9  1  30 o 212.9963 4.488716 2226.572       93.58372 2257.160       133.4496 2196.974       131.2720 214.0566 6.376272 211.1850 6.357666 2.871643       9.004263 
1 1 1 -9  1  31 o 88.74903 3.436818 386.7655       29.79921 402.1915       42.33293 371.6141       41.95450 90.36391 4.803304 86.83248 4.956761 3.531425       6.902261 
1 1 1 -9  1  32 f 175.8076 4.582811 1519.309       78.79620 1520.920       96.09203 1516.000       137.6707 175.7138 5.594085 174.8209 8.067042 0.8928833      9.816871 
1 1 1 -9  1  33 o 28.65053 8.359156 41.52431       24.88705 18.53561       29.40298 99.60000       46.73382 23.54241 9.057030 43.74217 10.94323 -20.19976      14.20507 
1 1 1 -9  1  34 o 131.9820 4.070609 856.7306       52.52436 885.9000       93.98933 843.4844       63.33731 133.5172 7.218602 130.8017 4.955944 2.715515       8.756117 
1 1 1 -9  1  35 o 81.49299 5.081441 328.6430       40.33173 0.000000       0.000000 328.6430       40.33173 ?        ?        81.49299 5.081441 ?              ?        
1 1 1 -9  1  36 o 115.2750 3.912978 654.4528       44.08782 633.0000       73.69200 666.4119       55.02081 112.6822 6.711675 116.1303 4.851016 -3.448044      8.281240 
1 1 1 -9  1  37 o 24.59800 7.815680 29.90303       21.14966 15.56218       29.31497 45.47064       30.54310 22.71710 8.956044 30.00225 9.373611 -7.285151      12.96439 
1 1 1 -9  1  38 o 38.80821 6.804235 77.31847       24.90509 96.42243       31.46610 45.28000       40.74900 43.20286 7.724433 31.02751 10.86854 12.17535       13.33387 
1 1 1 -9  1  39 o 97.72640 3.532315 471.1054       33.73359 453.9004       47.10430 489.2192       48.33239 95.53012 5.055486 99.20583 4.993368 -3.675705      7.105748 
1 1 1 -9  1  40 o 166.8866 3.925717 1375.580       64.12784 1357.870       90.16512 1393.710       91.22508 164.9495 5.592551 167.1190 5.584608 -2.169540      7.903447 
1 1 1 -9  1  41 o 28.56438 7.862273 42.88701       22.67386 42.92329       31.97293 42.85030       32.15926 29.15677 9.637329 29.15752 9.666416 -0.7534027E-03 13.64983 
1 1 1 -9  1  42 o 39.41883 6.326052 80.02392       23.58315 99.10341       34.00230 62.33807       32.73692 43.28835 8.327038 34.05073 9.476078 9.237621       12.61490 
1 1 1 -9  1  43 o 58.76267 4.468688 172.5488       25.51050 168.3925       36.23375 176.6340       35.92286 57.37090 6.570723 58.86143 6.334559 -1.490536      9.126940 
1 1 1 -9  1  44 f 55.61401 4.654900 155.1860       25.10741 136.6438       34.85098 175.1937       36.20203 51.31229 7.131318 58.49233 6.428923 -7.180042      9.601393 
1 1 1 -9  1  45 o 60.54724 4.460003 183.7676       26.24683 199.1926       36.96985 168.0918       37.26922 62.41445 6.130420 57.00030 6.814726 5.414150       9.166381 
1 1 1 -9  1  46 o 51.62488 5.089888 135.3123       25.38593 154.0185       35.66562 116.1037       36.14137 54.35524 6.855703 46.45354 8.250644 7.901703       10.72725 
1 1 1 -9  1  47 o 30.85788 7.808041 51.98359       23.59891 35.41181       33.18466 68.93884       33.56641 26.79166 9.759352 34.95972 9.543609 -8.168062      13.65011 
1 1 1 -9  1  48 o 12.16602 5.900573 -34.14729      21.89035 -28.81538      30.59756 -39.73778      31.33071 15.92108 7.514318 15.14226 7.272547 0.7788191      10.45729 
1 1 1 -9  1  49 o 18.32841 8.004425 -0.6322618     27.14859 -35.74740      31.89360 91.75000       51.73098 15.63554 7.463017 38.63525 12.21695 -22.99971      14.31609 
1 1 1 -9  1  50 f 55.41992 4.827973 156.7168       25.92894 138.9941       36.04119 175.7305       37.33092 50.76403 7.477021 57.64054 6.743928 -6.876511      10.06908 
1 1 1 -9  1  51 o 36.69097 9.389453 77.98238       33.85767 0.000000       0.000000 77.98238       33.85767 ?        ?        36.69097 9.389453 ?              ?        
1 1 1 -9  1  52 o 41.23256 8.766475 96.83937       34.29070 0.000000       0.000000 96.83937       34.29070 ?        ?        41.23256 8.766475 ?              ?        
1 1 1 -9  1  53 o 38.75109 7.603402 83.33880       27.80967 76.54478       34.44911 96.05000       47.12030 35.93285 9.608505 38.93918 11.54029 -3.006332      15.01671 
1 1 1 -9  1  54 o 77.54627 4.411185 306.4428       33.34475 332.4351       41.84077 261.2000       55.20166 80.02379 5.372770 68.11106 8.461880 11.91273       10.02348 
1 1 1 -9  1  55 o 39.25600 6.427131 83.30383       23.84231 44.87898       33.14353 124.5138       34.32367 27.92780 9.800495 47.28857 7.678489 -19.36077      12.45026 
1 1 1 -9  1  56 o 39.13375 7.782793 86.46288       28.76243 40.05000       52.01380 106.9065       34.52058 28.28872 11.64902 43.11399 8.482286 -14.82527      14.41003 
1 1 1 -9  1  57 o 28.62148 8.637414 47.81426       26.21483 105.0000       44.06083 16.47881       32.61570 40.69240 10.86002 22.03985 9.163721 18.65255       14.20964 
1 1 1 -9  1  58 o 20.35875 7.940912 17.81466       22.83811 8.899091       31.92313 27.16161       32.68632 20.62749 8.842758 23.98756 9.456990 -3.360073      12.94716 
1 1 1 -9  1  59 o 18.92573 7.735808 11.83936       22.72179 8.647593       32.28012 14.97377       31.98879 20.59279 8.860915 21.56154 9.028260 -0.9687500     12.65011 
1 1 1 -9  1  60 o 24.19295 8.152783 32.88514       22.86280 46.43818       32.44997 19.52597       32.21704 27.88295 9.703413 22.30149 9.174126 5.581461       13.35368 
1 1 1 -9  1  61 o 26.71724 8.902593 42.41599       27.26974 27.91916       33.01865 73.52000       48.36497 23.79541 9.465493 32.74484 11.80235 -8.949430      15.12915 
1 1 1 -9  1  62 o 18.96417 8.076928 8.815123       26.32275 7.858000       44.55219 9.328414       32.62626 22.40049 9.995041 20.43105 8.850142 1.969435       13.35013 
1 1 1 -9  2  1  o 540.5681 14.31784 14394.93       756.9227 14800.00       1091.749 14020.00       1050.352 546.2900 20.45318 531.7604 20.21642 14.52954       28.75823 
1 1 1 -9  2  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  2  4  o 599.7701 15.84956 17734.98       929.6670 17720.00       1313.982 17750.00       1315.515 597.3035 22.51470 597.8067 22.52196 -0.5032349     31.84573 
1 1 1 -9  2  5  o 269.5852 6.083015 3560.258       160.5170 3525.000       276.5044 3578.180       197.1363 267.7835 10.56978 270.0954 7.463796 -2.311890      12.93942 
1 1 1 -9  2  6  o 319.1230 7.075377 4990.396       221.0110 4814.000       374.1047 5084.967       273.9225 312.8064 12.24195 321.9128 8.701253 -9.106323      15.01923 
1 1 1 -9  2  7  o 258.3170 5.877460 3268.534       148.6103 3219.000       255.2356 3293.940       182.7899 255.9302 10.20906 259.1632 7.212657 -3.232956      12.49989 
1 1 1 -9  2  8  o 342.4530 7.553931 5747.679       253.2097 6018.000       453.0688 5624.895       305.3475 349.6514 13.26205 338.5333 9.223413 11.11810       16.15405 
1 1 1 -9  2  9  o 94.07004 4.198863 434.1450       38.56500 0.000000       0.000000 434.1450       38.56500 ?        ?        94.07004 4.198863 ?              ?        
1 1 1 -9  2  10 o 68.92839 3.592101 233.2351       24.15192 221.9000       39.86963 239.8058       30.35542 67.02191 6.145770 69.83870 4.463890 -2.816788      7.595840 
1 1 1 -9  2  11 o 104.8834 3.512644 539.1610       36.01089 567.7000       62.08980 524.6951       44.20519 107.4885 5.924269 103.4229 4.376561 4.065567       7.365545 
1 1 1 -9  2  12 f 411.1318 7.766886 8286.301       312.5606 8459.289       448.6906 8123.220       435.6525 414.9015 11.05817 406.5857 10.95665 8.315796       15.56699 
1 1 1 -9  2  13 o 237.8073 4.783769 2769.585       111.3529 2778.591       157.7591 2760.642       157.1959 238.0180 6.778305 237.2475 6.776080 0.7704620      9.584397 
1 1 1 -9  2  14 o 115.0953 3.732586 649.2819       41.99511 657.9221       51.68734 632.5000       72.03475 115.8171 4.568335 113.4217 6.515852 2.395416       7.957764 
1 1 1 -9  2  15 o 46.50177 5.395158 107.3551       24.10202 117.8899       29.62952 86.75000       41.43803 48.63270 6.377846 41.22472 10.29952 7.407978       12.11433 
1 1 1 -9  2  16 o 122.4079 3.847616 734.4568       46.04344 733.0396       56.36312 737.3000       79.82993 122.2420 4.719382 122.4545 6.685521 -0.2125702     8.183444 
1 1 1 -9  2  17 o 140.6833 3.466227 969.1374       47.73158 925.3612       66.00111 1017.137       69.11155 137.3457 4.917353 144.0043 4.910262 -6.658615      6.949174 
1 1 1 -9  2  18 o 296.0163 5.771370 4295.408       167.2248 4264.363       235.3140 4327.083       237.6870 294.5957 8.168355 296.7527 8.190684 -2.156982      11.56760 
1 1 1 -9  2  19 o 253.6900 5.064140 3154.186       125.7521 3156.161       177.9147 3152.214       177.7661 253.4911 7.177619 253.3326 7.176116 0.1585236      10.14962 
1 1 1 -9  2  20 o 239.2652 4.832728 2805.810       113.1822 2826.950       160.7049 2785.005       159.4304 239.8945 6.850899 238.1071 6.847686 1.787415       9.686362 
1 1 1 -9  2  21 o 164.9204 3.743403 1332.429       60.42925 1356.846       86.18343 1308.815       84.75423 166.2600 5.302559 163.2870 5.309839 2.972961       7.504100 
1 1 1 -9  2  22 o 246.7257 5.730539 2986.570       138.3936 2728.000       224.7771 3144.428       175.6294 235.0511 9.791195 252.8974 7.101939 -17.84636      12.09566 
1 1 1 -9  2  23 o 118.7086 4.566792 691.8515       52.96498 605.6000       70.65435 802.5000       80.02548 110.8556 6.540478 127.6781 6.423966 -16.82253      9.167617 
1 1 1 -9  2  24 o 353.7174 7.855956 6157.218       271.9955 6172.000       471.7527 6149.857       332.8986 351.9091 13.72179 352.8852 9.646725 -0.9760437     16.77340 
1 1 1 -9  2  25 o 214.5690 4.456695 2257.587       93.60222 2184.167       129.7167 2337.346       135.2006 210.7572 6.294977 218.0211 6.342140 -7.263840      8.935854 
1 1 1 -9  2  26 o 152.4697 3.622313 1139.279       54.05996 1093.430       75.03421 1188.766       77.95403 149.1797 5.146290 155.5569 5.126685 -6.377243      7.264104 
1 1 1 -9  2  27 o 169.3354 3.848734 1405.643       63.79282 1314.765       87.32616 1509.636       93.41463 163.5454 5.462728 175.2609 5.451952 -11.71548      7.717848 
1 1 1 -9  2  28 o 311.6175 7.015530 4779.809       213.9876 4850.000       373.4391 4745.495       261.1063 311.8446 12.25807 309.9308 8.615248 1.913757       14.98275 
1 1 1 -9  2  29 o 198.3671 4.953687 1931.868       96.18435 2028.631       120.8971 1765.000       158.7627 203.0218 6.090575 188.8190 8.612744 14.20277       10.54867 
1 1 1 -9  2  30 o 195.0182 4.227902 1866.003       80.70611 1938.732       116.7665 1799.478       111.6750 198.4386 6.018498 191.1807 5.975018 7.257828       8.480752 
1 1 1 -9  2  31 o 177.1441 4.588369 1541.899       79.49239 1531.758       96.72639 1563.000       139.5248 176.3873 5.609498 177.6268 8.045732 -1.239532      9.808174 
1 1 1 -9  2  32 o 137.0655 4.074811 922.9840       54.60838 896.3382       65.70520 982.5000       98.19793 134.9425 4.983006 140.8715 7.144856 -5.929062      8.710874 
1 1 1 -9  2  33 o 112.0728 3.417114 616.7639       37.44193 624.4763       53.24168 609.2176       52.66482 112.5848 4.842642 111.1972 4.850278 1.387672       6.853931 
1 1 1 -9  2  34 o 113.5160 3.867497 633.6832       42.91002 617.9000       71.49879 642.5683       53.64508 111.5873 6.575171 114.1613 4.811489 -2.574074      8.147594 
1 1 1 -9  2  35 o 26.98119 8.307145 36.37392       24.08811 -11.14000      38.87921 65.97521       30.68756 21.33490 9.438344 35.62877 8.841488 -14.29387      12.93268 
1 1 1 -9  2  36 o 43.58096 6.582676 96.34795       27.20606 71.78000       51.60153 105.8065       32.01766 37.70393 12.23050 45.50939 7.444746 -7.805458      14.31814 
1 1 1 -9  2  37 o 46.09070 5.239478 106.4137       23.21877 118.7879       32.59684 93.66907       33.08113 48.29810 7.107403 42.49797 8.250099 5.800133       10.88941 
1 1 1 -9  2  38 o 97.65026 3.495173 469.8895       33.35395 449.0622       46.29373 492.3711       48.09715 95.12088 4.989550 99.62510 4.947723 -4.504219      7.026776 
1 1 1 -9  2  39 o 21.93489 8.298011 18.29480       24.41690 46.26834       30.32302 -33.29000      41.17747 30.01864 9.333747 19.34908 8.996767 10.66956       12.96382 
1 1 1 -9  2  40 o 76.49329 4.322467 290.4609       32.23224 330.3655       40.74191 223.7000       52.69762 81.36332 5.142018 65.78068 8.373957 15.58264       9.826674 
1 1 1 -9  2  41 o 56.21089 4.630215 157.8579       25.25011 160.3331       35.53278 155.3329       35.88796 56.07735 6.599661 55.11932 6.795510 0.9580383      9.472829 
1 1 1 -9  2  42 o 20.14917 7.850050 13.78169       22.29774 -13.41810      31.36642 41.56979       31.70382 18.30526 8.259119 28.71034 9.599815 -10.40509      12.66371 
1 1 1 -9  2  43 o 96.02248 3.608252 456.4616       33.85344 447.0827       47.80231 465.8985       47.95000 94.45621 5.190206 96.46889 5.096106 -2.012680      7.273825 
1 1 1 -9  2  44 o 30.06246 7.749288 48.21678       22.94758 39.93468       31.73105 57.29773       33.22612 28.15263 9.603565 32.56031 9.700783 -4.407684      13.65041 
1 1 1 -9  2  45 o 66.55949 4.187230 221.3225       27.14168 217.5970       37.83258 225.2735       38.96053 65.31092 5.984438 66.42828 6.058524 -1.117355      8.515821 
1 1 1 -9  2  46 o 45.40506 5.637989 105.8538       24.51923 98.15592       34.24727 113.9489       35.12006 42.48646 8.531731 46.07780 8.081292 -3.591343      11.75150 
1 1 1 -9  2  47 f 42.60965 6.000876 94.43896       24.33580 106.6713       34.21217 81.91071       34.62354 44.29494 8.192465 38.16957 9.343814 6.125378       12.42672 
1 1 1 -9  2  48 o 60.93889 5.324604 190.0439       31.44186 177.5299       38.06882 216.9000       55.76923 58.08481 6.825899 62.44973 9.415852 -4.364914      11.62975 
1 1 1 -9  2  49 o 45.77905 5.697949 108.8205       24.98132 87.86841       35.78312 128.7415       34.89158 39.21396 9.437149 48.87291 7.535585 -9.658955      12.07662 
1 1 1 -9  2  50 o 69.81221 4.711622 247.6565       32.00787 191.5000       52.01118 281.8887       40.60820 58.23828 9.447354 73.91373 5.655796 -15.67545      11.01093 
1 1 1 -9  2  51 o 54.55279 5.562783 154.3756       29.28882 159.1000       48.19400 151.6089       36.88092 52.56662 9.724576 53.01942 7.300146 -0.4528008     12.15975 
1 1 1 -9  2  52 o 54.66581 5.839131 156.3701       30.76101 108.1000       53.80795 179.8046       37.49168 40.90086 12.38146 58.07182 6.719577 -17.17096      14.08734 
1 1 1 -9  2  53 o 53.75907 5.932637 152.0746       30.69945 171.5000       55.25865 143.4024       36.92159 53.00270 11.01130 51.08156 7.616784 1.921139       13.38896 
1 1 1 -9  2  54 o 79.93978 4.351544 325.2729       33.92126 312.1625       41.70502 350.9000       58.30814 77.39206 5.542045 80.08290 7.526700 -2.690842      9.346950 
1 1 1 -9  2  55 o 59.65586 6.505900 190.7773       37.37485 217.2000       57.37482 171.3000       49.26032 60.32986 10.07065 53.80476 9.710649 6.525097       13.98981 
1 1 1 -9  2  56 o 17.00537 7.348690 2.311472       22.38800 -14.97159      31.94739 18.98927       31.38299 17.43810 8.043681 22.28849 9.098604 -4.850389      12.14436 
1 1 1 -9  2  57 o 32.51066 7.474925 59.72469       23.28929 74.83986       32.90663 44.55539       32.96550 35.27316 9.372313 27.72254 9.770411 7.550613       13.53888 
1 1 1 -9  2  58 o 13.02586 6.348696 -40.64531      26.19688 -40.54330      31.00233 -40.90000      48.98711 14.63539 7.080014 19.32286 9.230201 -4.687471      11.63285 
1 1 1 -9  2  59 o 15.13045 6.878349 -8.335347      22.25302 -16.49416      31.39204 -0.9442843E-01 31.54960 17.01890 7.893415 19.12396 8.479108 -2.105055      11.58453 
1 1 1 -9  2  60 o 13.87606 6.639151 -28.11916      25.56640 -22.38027      30.87451 -40.64000      45.60399 16.17723 7.608332 18.42469 8.829268 -2.247452      11.65516 
1 1 1 -9  2  61 o 23.03499 8.625407 28.02945       26.23345 56.58000       45.26413 13.58903       32.19117 29.74379 11.28757 21.12643 8.962405 8.617359       14.41297 
1 1 1 -9  2  62 o 26.24493 8.851005 41.23024       26.94645 75.59000       47.08774 24.49881       32.85863 32.85819 11.66811 22.97017 9.335023 9.888021       14.94280 
1 1 1 -9  3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  3  2  o 339.5197 9.180942 5658.485       304.8314 5664.000       431.6983 5653.000       430.4976 339.1751 13.02742 338.8488 13.00365 0.3262939      18.40675 
1 1 1 -9  3  3  o 391.5475 10.49115 7530.270       401.7189 7432.000       563.2641 7632.000       573.0961 388.2816 14.84773 393.4675 14.90728 -5.185883      21.04001 
1 1 1 -9  3  4  o 301.8946 6.722466 4465.716       198.6507 4550.000       348.9259 4425.296       241.6335 304.1445 11.74259 300.3265 8.227478 3.817963       14.33805 
1 1 1 -9  3  5  o 56.59884 3.616943 157.4713       19.93319 134.1000       36.04373 167.7684       23.92472 51.80207 7.311553 58.38395 4.214833 -6.581882      8.439409 
1 1 1 -9  3  6  o 674.2454 14.46918 22364.69       954.9221 22520.00       1663.023 22288.29       1166.375 672.5607 25.30672 671.9888 17.74804 0.5719604      30.90992 
1 1 1 -9  3  7  o 408.6921 8.905644 8190.668       356.2606 8311.000       623.8682 8132.440       433.9801 410.5719 15.55189 406.8932 10.90624 3.678711       18.99493 
1 1 1 -9  3  8  o 497.8602 13.21490 12192.24       643.4181 0.000000       0.000000 12192.24       643.4181 ?        ?        497.8602 13.21490 ?              ?        
1 1 1 -9  3  9  o 452.3520 12.04703 10058.63       532.9370 0.000000       0.000000 10058.63       532.9370 ?        ?        452.3520 12.04703 ?              ?        
1 1 1 -9  3  10 o 119.5084 4.450158 700.3238       51.96618 0.000000       0.000000 700.3238       51.96618 ?        ?        119.5084 4.450158 ?              ?        
1 1 1 -9  3  11 o 199.8304 4.167052 1955.252       81.50734 1997.097       116.6828 1915.376       113.9049 201.8232 5.912869 197.6483 5.894252 4.174896       8.348906 
1 1 1 -9  3  12 o 255.4507 5.062299 3195.972       126.5788 3240.987       180.5674 3152.478       177.4913 257.0498 7.183596 253.5147 7.159833 3.535110       10.14235 
1 1 1 -9  3  13 o 207.0197 4.299104 2098.635       87.11559 2100.073       123.1304 2097.195       123.2698 206.9447 6.085226 206.8020 6.096354 0.1426849      8.613681 
1 1 1 -9  3  14 f 332.7890 6.390805 5427.170       208.1760 5408.499       293.6743 5446.029       295.1418 331.8792 9.048680 333.0278 9.062497 -1.148651      12.80654 
1 1 1 -9  3  15 o 242.2537 5.625053 2875.365       133.3839 2887.695       163.6893 2851.000       230.1078 242.6079 6.900023 240.7615 9.784616 1.846436       11.97285 
1 1 1 -9  3  16 o 189.0781 4.687448 1751.187       86.75287 1729.752       105.4798 1796.000       152.5128 187.7892 5.745178 191.1414 8.170498 -3.352127      9.988198 
1 1 1 -9  3  17 o 278.1256 6.314054 3792.478       171.8919 3695.640       206.9364 4008.000       308.7175 274.3254 7.714292 285.1865 11.08034 -10.86105      13.50127 
1 1 1 -9  3  18 o 153.8919 3.605240 1159.811       54.30703 1192.909       77.76716 1128.308       75.87140 155.9388 5.101768 151.6519 5.118550 4.286942       7.226866 
1 1 1 -9  3  19 o 207.3736 4.331190 2106.872       87.91579 2071.942       123.0127 2143.342       125.6941 205.4492 6.123846 208.9594 6.152047 -3.510208      8.680389 
1 1 1 -9  3  20 o 270.3264 5.342922 3582.898       141.3753 3466.703       195.6683 3709.811       204.4932 265.5652 7.534983 274.7141 7.612209 -9.148834      10.71082 
1 1 1 -9  3  21 o 85.66806 3.313056 359.9952       27.72902 386.7769       39.28227 333.3969       39.14759 88.71823 4.538613 82.32310 4.880115 6.395126       6.664423 
1 1 1 -9  3  22 o 246.1361 5.718010 2972.401       137.7610 2892.348       165.7847 3151.000       247.6259 242.5506 6.990194 252.5763 10.03605 -10.02574      12.23050 
1 1 1 -9  3  23 o 163.3331 3.727525 1307.145       59.59376 1304.617       84.31654 1309.668       84.24012 162.9947 5.291867 163.3119 5.276736 -0.3171539     7.473139 
1 1 1 -9  3  24 o 82.33440 3.295017 332.6292       26.50130 334.2589       37.19513 330.9489       37.76845 82.43311 4.628346 82.01389 4.724737 0.4192276      6.613980 
1 1 1 -9  3  25 o 281.8234 5.546512 3898.870       153.0041 3811.888       213.1273 3991.373       219.7874 278.1373 7.836223 284.6001 7.897352 -6.462830      11.12540 
1 1 1 -9  3  26 o 214.7974 4.468123 2262.746       93.94212 2189.812       130.3596 2341.544       135.4978 210.9952 6.319079 218.1835 6.351357 -7.188248      8.959381 
1 1 1 -9  3  27 o 230.7324 4.730780 2611.967       106.8434 2591.191       150.5050 2633.075       151.7008 229.4301 6.709049 231.2786 6.708191 -1.848541      9.487422 
1 1 1 -9  3  28 o 209.2087 4.413125 2147.033       90.37165 2120.846       127.0462 2173.855       128.5771 207.5939 6.259465 210.1750 6.256916 -2.581055      8.850418 
1 1 1 -9  3  29 o 111.4925 3.862565 610.2753       42.08924 657.6000       71.08046 584.7228       52.23036 115.4474 6.314171 109.0245 4.906899 6.422913       7.996650 
1 1 1 -9  3  30 o 112.1333 4.003432 617.5567       43.87081 616.2494       53.63321 620.2000       76.26402 111.9154 4.907894 111.9713 6.993272 -0.5595398E-01 8.543610 
1 1 1 -9  3  31 o 158.1011 4.316373 1227.905       66.73497 1208.504       80.96980 1269.000       117.8428 156.7001 5.286518 160.1222 7.539922 -3.422073      9.208567 
1 1 1 -9  3  32 o 186.7065 4.742568 1714.115       86.60191 1628.491       103.5015 1914.000       158.1398 181.7623 5.825024 196.3835 8.245128 -14.62115      10.09520 
1 1 1 -9  3  33 o 141.0525 4.063083 977.9093       56.03894 948.5000       93.88544 994.1860       69.84561 138.3420 6.955584 142.0614 5.030869 -3.719406      8.584275 
1 1 1 -9  3  34 o 186.5492 4.724809 1713.748       86.20534 1647.000       144.3913 1750.717       107.4582 181.7792 8.135653 188.2474 5.838886 -6.468185      10.01406 
1 1 1 -9  3  35 o 79.77869 3.556153 313.2666       27.70006 302.3592       38.73420 324.6837       39.62871 78.14072 5.091935 80.99793 5.023104 -2.857208      7.152578 
1 1 1 -9  3  36 f 173.9387 3.959303 1488.828       67.40950 1464.328       94.44227 1514.273       96.24619 171.9380 5.619168 174.8442 5.631096 -2.906174      7.955142 
1 1 1 -9  3  37 o 20.67485 8.180395 12.34142       24.53740 -61.69000      47.12986 39.87033       28.73973 18.83908 9.013869 28.34081 9.121992 -9.501734      12.82422 
1 1 1 -9  3  38 o 36.12508 7.679313 67.96612       26.31695 61.70000       50.45336 70.30821       30.84556 35.34055 12.10835 36.55428 8.739424 -1.213737      14.93284 
1 1 1 -9  3  39 o 61.01020 4.237086 184.8184       25.14601 175.8589       34.93072 194.4559       36.22844 59.04179 6.133517 62.14402 6.031624 -3.102230      8.602355 
1 1 1 -9  3  40 o 20.99178 8.157224 14.97085       24.02808 32.90382       30.01314 -17.04000      40.09903 26.53127 9.324948 20.67533 9.332483 5.855944       13.19280 
1 1 1 -9  3  41 o 15.03205 6.932877 -17.25543      23.72120 -12.14186      29.52300 -26.57000      39.84553 17.88561 8.046246 19.50318 8.991528 -1.617565      12.06605 
1 1 1 -9  3  42 o 62.39141 4.309462 193.9946       26.15638 180.6846       36.20272 208.5301       37.83250 59.59419 6.301616 64.13780 6.099555 -4.543613      8.770116 
1 1 1 -9  3  43 o 66.84309 4.167439 222.4926       27.13102 207.0308       37.85539 238.8231       38.90422 63.83027 6.134352 68.70796 5.840020 -4.877693      8.469717 
1 1 1 -9  3  44 o 70.75782 4.030571 249.2559       27.80015 233.7544       38.64248 265.8862       40.02465 67.87038 5.874506 72.49310 5.686065 -4.622726      8.175645 
1 1 1 -9  3  45 o 111.1506 3.575495 612.8566       38.84981 567.6755       53.59837 662.8701       56.39188 106.1946 5.171910 114.8576 5.028101 -8.663040      7.213214 
1 1 1 -9  3  46 o 17.05573 7.380693 -0.4087296     22.64595 -25.03694      32.13743 23.88149       31.91615 16.94670 7.902630 24.29994 9.412734 -7.353241      12.29029 
1 1 1 -9  3  47 o 89.52158 4.350441 402.6316       38.00711 385.2090       45.96388 440.3000       67.58473 86.93649 5.428516 91.24374 7.637272 -4.307251      9.369990 
1 1 1 -9  3  48 o 72.76941 4.045791 265.7584       28.70420 207.3574       39.82506 328.8973       41.40900 62.97608 6.556513 80.28564 5.298901 -17.30956      8.430078 
1 1 1 -9  3  49 o 56.66625 5.308950 164.8890       29.10401 185.2000       50.76371 154.9439       35.52174 57.47802 9.343482 54.08704 6.863939 3.390976       11.59372 
1 1 1 -9  3  50 o 29.80842 8.503596 49.85497       26.02630 64.49000       43.47869 41.68260       32.49028 33.14342 11.24263 27.78022 9.706728 5.363203       14.85319 
1 1 1 -9  3  51 o 46.19723 5.521953 111.0198       24.47583 88.28784       33.17268 138.1818       36.26129 39.38966 8.823356 50.38581 7.587594 -10.99616      11.63715 
1 1 1 -9  3  52 o 19.01250 7.686303 11.66191       22.14346 0.9670336      30.07270 24.32763       32.72650 19.23772 8.412508 23.86479 9.445830 -4.627064      12.64887 
1 1 1 -9  3  53 o 32.75800 8.649965 61.93972       28.14080 33.41000       49.07303 75.91820       34.34978 27.47729 11.31491 35.75377 9.609751 -8.276470      14.84501 
1 1 1 -9  3  54 o 39.29070 8.970041 90.08352       33.73644 113.1000       51.53226 72.82000       44.62976 41.56321 12.00004 33.95203 11.39043 7.611179       16.54518 
1 1 1 -9  3  55 o 43.97261 5.892601 102.6816       24.72488 84.34415       34.74964 121.4836       35.18698 37.57185 9.457149 46.44587 8.030210 -8.874016      12.40653 
1 1 1 -9  3  56 o 29.29611 8.530672 50.00244       25.94149 33.29346       33.52952 74.92000       40.94540 25.36162 9.693189 34.39418 10.86813 -9.032564      14.56277 
1 1 1 -9  3  57 o 17.18133 7.379472 3.485874       22.31121 -8.851273      31.54223 15.83960       31.56342 18.03354 8.194573 21.72211 9.021715 -3.688568      12.18780 
1 1 1 -9  3  58 o 26.33928 8.218131 39.70805       23.48547 66.98740       33.02406 11.79376       33.40618 33.18308 9.614098 21.39649 9.105461 11.78660       13.24161 
1 1 1 -9  3  59 o 21.77455 8.633710 20.68176       27.38603 -1.643017      32.50028 75.35000       50.85822 19.14578 8.540186 33.54802 12.10132 -14.40223      14.81137 
1 1 1 -9  3  60 o 24.33187 8.206414 33.38063       23.16451 18.88918       33.11049 47.27360       32.41958 22.32508 9.253339 28.05630 9.702394 -5.731216      13.40749 
1 1 1 -9  3  61 f 33.00596 8.419146 65.00730       27.28268 54.25000       46.03028 70.83305       33.87407 29.31880 11.31822 33.50878 9.745424 -4.189980      14.93571 
1 1 1 -9  3  62 o 20.30784 7.979041 18.82921       23.19864 30.95734       33.05809 7.061505       32.56318 24.16598 9.515750 20.03275 8.757183 4.133232       12.93204 
1 1 1 -9  4  1  o 490.6936 13.02163 11843.82       624.8818 11940.00       889.2603 11750.00       878.2748 491.4217 18.52022 487.5124 18.43834 3.909302       26.13372 
1 1 1 -9  4  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  4  3  o 198.8574 4.739066 1936.446       92.24458 2061.000       166.6429 1881.420       110.7619 204.8642 8.327619 195.8996 5.782643 8.964584       10.13845 
1 1 1 -9  4  4  o 570.9535 12.30217 16014.63       687.5251 16930.00       1237.512 15605.95       826.8794 584.3463 21.67336 562.9045 15.02068 21.44171       26.36959 
1 1 1 -9  4  5  o 286.9807 6.436258 4034.853       180.7975 3893.000       306.5342 4110.525       223.8865 281.3831 11.15156 289.4760 7.908902 -8.092957      13.67143 
1 1 1 -9  4  6  o 466.7397 10.10583 10688.63       461.6927 10840.00       808.3898 10615.35       562.4485 468.4969 17.65981 464.6815 12.37679 3.815369       21.56511 
1 1 1 -9  4  7  o 381.0225 10.23477 7128.906       381.3654 0.000000       0.000000 7128.906       381.3654 ?        ?        381.0225 10.23477 ?              ?        
1 1 1 -9  4  8  o 773.8880 20.42815 29641.77       1546.085 0.000000       0.000000 29641.77       1546.085 ?        ?        773.8880 20.42815 ?              ?        
1 1 1 -9  4  9  o 273.7563 7.593197 3676.099       203.2709 0.000000       0.000000 3676.099       203.2709 ?        ?        273.7563 7.593197 ?              ?        
1 1 1 -9  4  10 o 453.7934 9.849792 10104.54       437.5135 10180.00       762.1739 10067.45       534.3143 453.9708 17.18322 452.5071 12.07406 1.463715       21.00110 
1 1 1 -9  4  11 o 154.4343 4.105429 1168.615       62.00448 1171.000       108.4761 1167.458       75.56589 154.4051 7.197188 154.3136 5.009463 0.9146118E-01  8.768936 
1 1 1 -9  4  12 o 599.0280 11.15252 17624.88       653.9229 17619.99       924.5790 17629.77       924.9944 597.6604 15.81850 597.8255 15.82123 -0.1651001     22.37267 
1 1 1 -9  4  13 o 456.6870 8.579210 10230.25       383.5060 10107.04       537.6892 10357.84       547.1535 453.2622 12.13015 458.8432 12.19337 -5.580963      17.19938 
1 1 1 -9  4  14 o 67.89230 3.495767 226.2763       23.15284 202.8365       31.77566 252.8050       33.80457 64.14820 5.102642 71.68035 4.846520 -7.532150      7.037450 
1 1 1 -9  4  15 o 366.0612 6.976137 6569.795       249.9625 6533.424       352.1196 6606.742       354.8975 364.5909 9.875937 366.6288 9.898462 -2.037903      13.98262 
1 1 1 -9  4  16 o 120.9786 3.821227 717.4421       45.19315 693.2395       54.36134 771.6000       81.31873 118.8699 4.681251 125.2719 6.655674 -6.401978      8.137082 
1 1 1 -9  4  17 o 240.3035 5.596503 2830.241       131.6385 2781.539       159.3260 2935.000       233.6726 238.0441 6.845013 244.1532 9.797650 -6.109100      11.95191 
1 1 1 -9  4  18 o 336.7102 7.476573 5564.662       246.4138 5514.941       299.8922 5668.000       432.3379 334.8383 9.158658 338.5782 13.06997 -3.739868      15.95948 
1 1 1 -9  4  19 o 318.0444 6.154532 4961.459       191.5972 4759.703       263.1366 5189.128       279.5239 311.0580 8.650784 324.7686 8.801147 -13.71060      12.34084 
1 1 1 -9  4  20 o 161.9102 4.267072 1285.412       67.56654 1268.929       82.10282 1320.000       118.9314 160.7923 5.223521 163.7651 7.438826 -2.972824      9.089626 
1 1 1 -9  4  21 o 125.5242 4.751715 773.4963       58.27725 0.000000       0.000000 773.4963       58.27725 ?        ?        125.5242 4.751715 ?              ?        
1 1 1 -9  4  22 o 232.8933 4.732858 2659.185       107.8914 2548.849       148.3354 2783.125       157.2143 227.7193 6.662019 237.9487 6.756822 -10.22940      9.488791 
1 1 1 -9  4  23 o 129.4782 3.348614 821.8136       42.40366 817.2929       59.37296 826.5201       60.58094 129.0191 4.709314 129.7402 4.778569 -0.7210999     6.709126 
1 1 1 -9  4  24 o 217.8463 4.495364 2326.962       95.85642 2299.506       134.6227 2355.196       136.5202 216.2615 6.366573 218.8648 6.379378 -2.603241      9.012753 
1 1 1 -9  4  25 o 321.7237 6.231452 5085.291       196.2359 5043.382       275.9784 5128.149       279.0867 319.6578 8.828759 322.3271 8.854167 -2.669312      12.50373 
1 1 1 -9  4  26 o 101.6380 3.270964 506.6723       32.49915 452.1669       44.59958 568.3795       47.45466 95.88672 4.766832 107.5556 4.517601 -11.66886      6.567450 
1 1 1 -9  4  27 o 74.71523 3.603730 274.2399       26.27756 270.7177       37.25475 277.7272       37.07011 74.08435 5.169909 75.05223 5.075940 -0.9678802     7.245214 
1 1 1 -9  4  28 o 257.4102 5.169545 3253.327       130.2520 3114.749       179.3789 3407.888       189.4408 251.3631 7.298333 262.9167 7.368475 -11.55356      10.37112 
1 1 1 -9  4  29 o 165.2115 4.446972 1340.332       71.84820 1354.787       88.29513 1312.000       123.6106 165.9630 5.442607 162.8941 7.774988 3.068878       9.490648 
1 1 1 -9  4  30 o 188.9577 5.800982 1757.557       107.1662 1760.000       149.8474 1755.000       153.3241 188.5664 8.137708 188.2442 8.341851 0.3221436      11.65370 
1 1 1 -9  4  31 o 238.9032 5.647956 2807.979       132.0747 2888.974       164.4883 2661.000       221.5807 241.9013 6.954113 231.1527 9.815589 10.74857       12.02936 
1 1 1 -9  4  32 o 86.01316 3.905828 363.8523       32.79816 421.0000       55.83773 333.7491       40.52614 92.21028 6.222906 82.23021 5.059476 9.980072       8.020153 
1 1 1 -9  4  33 o 168.0274 5.384753 1391.876       88.44862 1385.000       123.9880 1399.000       126.2121 167.0110 7.604476 167.8231 7.703768 -0.8120880     10.82479 
1 1 1 -9  4  34 o 147.3806 3.614057 1066.621       52.13644 1054.938       73.44730 1078.486       74.02016 146.2335 5.139235 147.8624 5.122034 -1.628922      7.255823 
1 1 1 -9  4  35 o 101.1496 3.372536 503.0143       33.34412 520.7005       47.55176 485.9052       46.76940 102.6890 4.743638 99.17436 4.832429 3.514595       6.771594 
1 1 1 -9  4  36 o 93.37326 3.450950 429.1052       31.48615 438.2006       44.97556 420.3630       44.09381 94.09322 4.900170 92.15183 4.906090 1.941391       6.934074 
1 1 1 -9  4  37 o 60.72617 4.052547 182.5119       23.95066 199.4061       33.87104 165.6169       33.87167 63.19484 5.531424 57.41350 6.121517 5.781338       8.250431 
1 1 1 -9  4  38 o 49.04873 5.886765 121.3165       27.69844 105.6000       52.98166 127.2277       32.49239 44.18935 11.95974 50.00464 6.815650 -5.815289      13.76548 
1 1 1 -9  4  39 o 54.97239 5.491158 151.8112       29.15215 183.4000       54.98750 139.4614       34.38167 58.95357 9.878139 52.27816 6.886225 6.675415       12.04150 
1 1 1 -9  4  40 f 58.47362 4.322036 170.1578       24.56258 133.2566       33.39530 213.6470       36.25398 51.02863 6.859564 65.17365 5.741642 -14.14502      8.945394 
1 1 1 -9  4  41 o 122.4233 4.104526 742.7580       49.11553 737.6994       60.03180 753.0000       85.41942 121.6157 5.053973 121.7093 7.202326 -0.9355164E-01 8.798644 
1 1 1 -9  4  42 o 63.08010 4.808143 199.1769       29.46398 201.4465       36.45266 194.9000       50.04095 63.06392 5.976625 60.93927 8.630424 2.124649       10.49782 
1 1 1 -9  4  43 o 62.38226 4.314302 194.1847       26.18149 192.6814       36.42945 195.7908       37.65331 61.54693 6.128354 61.98304 6.293326 -0.4361153     8.784229 
1 1 1 -9  4  44 o 129.4056 3.630624 829.6607       45.94213 811.8602       64.28284 848.2455       65.68380 127.2145 5.173197 130.0398 5.170619 -2.825264      7.314182 
1 1 1 -9  4  45 o 45.75428 5.541615 106.9912       24.31324 100.9554       34.25947 113.1156       34.51012 43.30658 8.385063 46.10611 7.932881 -2.799534      11.54296 
1 1 1 -9  4  46 o 57.93729 5.394848 171.0487       30.24293 191.7774       37.35289 131.6000       51.52931 60.92304 6.357214 47.74807 11.21713 13.17497       12.89334 
1 1 1 -9  4  47 o 20.69936 7.974268 16.99796       22.81518 20.19455       32.03477 13.70757       32.50137 23.40592 9.319195 22.31270 9.200290 1.093220       13.09552 
1 1 1 -9  4  48 o 50.07136 5.944207 130.2146       28.56549 141.9000       48.61904 124.0542       35.30101 49.64510 10.34137 47.90520 7.796158 1.739899       12.95083 
1 1 1 -9  4  49 o 45.30116 6.415333 108.2282       27.65196 87.01000       46.89028 119.5416       34.23922 37.90246 11.57544 46.93732 7.720661 -9.034863      13.91400 
1 1 1 -9  4  50 o 36.20832 6.716924 70.40231       22.92961 70.66947       31.36619 70.09565       33.60409 35.17912 9.055634 34.81168 9.567466 0.3674469      13.17349 
1 1 1 -9  4  51 o 23.61983 8.074196 29.21739       22.43168 33.43308       30.56665 24.29729       33.02179 25.56439 9.358017 23.99940 9.491744 1.564983       13.32913 
1 1 1 -9  4  52 o 57.21080 4.592667 167.0651       25.50283 200.2872       35.80709 132.8627       36.33153 61.81489 5.993034 49.11634 7.818898 12.69855       9.851478 
1 1 1 -9  4  53 o 18.45570 7.867030 5.311633       25.00959 4.707158       30.57843 6.533000       43.46594 19.85572 8.584411 22.96101 10.07522 -3.105293      13.23640 
1 1 1 -9  4  54 o 16.81475 7.311172 0.9064323      22.43895 -6.610829      31.25909 8.897971       32.23011 18.33435 8.261053 20.82884 8.906121 -2.494493      12.14759 
1 1 1 -9  4  55 o 29.96337 8.787169 52.45417       27.43954 66.89000       50.21500 46.30862       32.76372 32.57304 11.98261 28.25603 9.754580 4.317011       15.45105 
1 1 1 -9  4  56 f 27.96635 7.902202 44.75116       22.58330 41.98935       32.67795 47.27613       31.24540 27.16141 9.712086 28.37568 9.530727 -1.214266      13.60733 
1 1 1 -9  4  57 o 42.98978 6.677370 100.6776       27.18674 98.08808       34.53105 104.9000       44.09470 40.89836 8.880771 40.64709 10.87151 0.2512703      14.03773 
1 1 1 -9  4  58 o 50.95810 6.236499 139.2849       30.45957 150.1033       36.50694 114.5000       55.25702 52.06555 7.369104 40.69632 12.59092 11.36922       14.58887 
1 1 1 -9  4  59 o 15.57373 7.188806 -13.45721      25.58285 52.72000       43.53026 -48.37479      31.61980 29.50874 11.09795 14.18487 6.926984 15.32387       13.08234 
1 1 1 -9  4  60 o 30.83935 8.589827 56.65652       26.88715 48.29000       45.74820 61.07141       33.23241 28.59154 11.21351 31.35273 9.774840 -2.761196      14.87583 
1 1 1 -9  4  61 o 28.12169 8.104935 46.75787       23.52721 72.90264       33.45010 21.16106       33.09770 34.06540 9.614450 22.52430 9.285600 11.54111       13.36638 
1 1 1 -9  4  62 o 23.32344 9.212361 27.88530       31.06937 5.163000       44.81689 48.91000       43.11025 22.03154 9.912327 27.97434 10.91050 -5.942804      14.74087 
1 1 1 -9  5  1  o 264.8712 7.373826 3440.879       190.9901 3496.000       272.9499 3388.000       267.3392 266.6994 10.47611 262.5469 10.42350 4.152557       14.77831 
1 1 1 -9  5  2  o 319.6544 7.095306 5007.051       222.0026 5583.000       414.2408 4774.971       262.9538 336.8540 12.58547 311.9471 8.620029 24.90692       15.25447 
1 1 1 -9  5  3  o 407.6295 8.883507 8148.127       354.4511 8709.000       644.0471 7904.438       424.5257 420.2696 15.68361 401.1534 10.82142 19.11618       19.05462 
1 1 1 -9  5  4  o 304.1321 8.349081 4538.104       248.3111 4149.000       330.8475 5040.000       375.7531 290.4415 11.66130 320.1116 12.01341 -29.67010      16.74240 
1 1 1 -9  5  5  o 355.4290 7.819796 6192.164       272.0536 6275.000       477.0459 6152.238       331.1891 356.9821 13.67766 354.0194 9.566232 2.962646       16.69105 
1 1 1 -9  5  6  o 305.5126 8.347257 4579.470       249.3860 0.000000       0.000000 4579.470       249.3860 ?        ?        305.5126 8.347257 ?              ?        
1 1 1 -9  5  7  o 77.75141 4.202879 296.8612       31.86721 0.000000       0.000000 296.8612       31.86721 ?        ?        77.75141 4.202879 ?              ?        
1 1 1 -9  5  8  o 375.3795 10.09692 6919.565       370.6561 0.000000       0.000000 6919.565       370.6561 ?        ?        375.3795 10.09692 ?              ?        
1 1 1 -9  5  9  o 123.6565 3.693901 749.2982       44.66025 683.1000       76.30459 783.7913       55.08004 117.8865 6.639557 126.4381 4.457486 -8.551559      7.997056 
1 1 1 -9  5  10 o 286.3101 6.448270 4016.460       180.7117 3985.000       312.0801 4032.330       221.6537 284.6399 11.22319 286.6848 7.906403 -2.044952      13.72848 
1 1 1 -9  5  11 o 302.3798 6.769154 4480.727       200.3519 4515.000       349.4627 4463.946       244.5296 302.9036 11.80927 301.6016 8.290942 1.302032       14.42909 
1 1 1 -9  5  12 o 254.4157 5.843540 3171.079       145.5211 3075.000       248.0249 3221.516       179.7023 250.0704 10.15385 256.2650 7.171093 -6.194656      12.43082 
1 1 1 -9  5  13 o 110.9656 3.184933 603.3237       34.55775 619.1605       49.00981 587.6637       48.73543 112.3528 4.465382 109.4479 4.559143 2.904938       6.381647 
1 1 1 -9  5  14 o 325.9195 6.271947 5205.811       200.0870 5103.367       279.0854 5314.157       287.0125 322.3585 8.853259 328.9446 8.922224 -6.586090      12.56926 
1 1 1 -9  5  15 o 267.1669 5.276452 3497.129       137.9847 3417.415       192.2101 3581.895       198.2077 263.8583 7.449621 270.1327 7.503399 -6.274384      10.57345 
1 1 1 -9  5  16 o 401.5153 7.608390 7909.985       299.0206 7788.642       418.1216 8037.013       427.8026 397.7822 10.74853 404.0627 10.82630 -6.280426      15.25581 
1 1 1 -9  5  17 o 227.4807 5.357461 2536.130       119.2916 2512.753       145.0432 2585.000       209.7140 226.2570 6.556128 229.1442 9.369779 -2.887192      11.43571 
1 1 1 -9  5  18 o 114.8294 3.739218 646.5046       41.97208 604.9365       49.69115 750.0000       78.40785 111.0198 4.582547 123.4793 6.510230 -12.45950      7.961334 
1 1 1 -9  5  19 o 190.2209 4.701787 1773.292       87.54419 1713.266       104.9033 1911.000       158.8901 186.8238 5.743370 197.0206 8.257390 -10.19678      10.05837 
1 1 1 -9  5  20 o 230.7377 6.687547 2615.774       150.8806 2527.000       209.2050 2712.000       217.8097 226.3434 9.463619 234.4873 9.509411 -8.143875      13.41600 
1 1 1 -9  5  21 o 165.6633 3.733903 1344.558       60.54741 1280.407       83.08382 1417.212       88.41891 161.4952 5.262971 169.9066 5.323104 -8.411346      7.485606 
1 1 1 -9  5  22 o 235.1998 4.766620 2712.318       109.7372 2682.549       154.0395 2742.995       156.3703 233.5967 6.743946 236.2119 6.770089 -2.615234      9.555883 
1 1 1 -9  5  23 o 199.4190 4.898893 1950.425       95.62484 2371.000       186.9474 1801.394       111.2849 219.1966 8.730703 191.4618 5.945312 27.73480       10.56276 
1 1 1 -9  5  24 o 290.2794 5.686519 4136.563       161.5731 4083.760       226.4173 4191.354       230.6389 287.8703 8.043263 291.6298 8.087495 -3.759430      11.40621 
1 1 1 -9  5  25 o 74.43438 3.424373 272.0543       24.88260 262.2531       34.70594 282.4212       35.69347 72.95085 4.888564 75.72077 4.841147 -2.769920      6.880026 
1 1 1 -9  5  26 o 155.2409 3.647606 1181.170       55.42685 1101.512       75.94760 1271.944       81.07412 149.7157 5.190366 160.8988 5.154468 -11.18318      7.314946 
1 1 1 -9  5  27 o 242.4433 4.913491 2884.640       116.6022 2820.443       162.6437 2952.527       167.2536 239.3024 6.950955 244.8384 6.986088 -5.536072      9.855009 
1 1 1 -9  5  28 o 210.8049 5.133907 2182.001       105.9339 2164.005       129.1515 2219.000       185.1878 209.6679 6.300199 211.6973 8.957222 -2.029388      10.95100 
1 1 1 -9  5  29 o 71.69987 4.373088 253.1913       30.54516 262.3441       36.63015 232.3000       55.34089 72.90034 5.166856 68.04838 8.492867 4.851959       9.941086 
1 1 1 -9  5  30 o 80.47200 3.522789 318.1220       27.68115 289.1103       38.77751 348.2667       39.52737 76.52962 5.207617 84.07404 4.823433 -7.544418      7.098224 
1 1 1 -9  5  31 o 162.4187 4.312679 1296.034       68.50227 1185.000       111.2775 1363.788       86.92522 154.7240 7.368739 166.4442 5.342367 -11.72021      9.101604 
1 1 1 -9  5  32 o 223.3933 6.555648 2464.766       143.1931 2392.000       197.1570 2546.000       208.3145 219.1005 9.213679 225.9559 9.439463 -6.855423      13.19073 
1 1 1 -9  5  33 o 93.94635 3.369413 433.6183       30.93403 447.4222       43.98774 420.1122       43.51080 95.25617 4.732541 92.28080 4.833888 2.975372       6.764866 
1 1 1 -9  5  34 f 70.53799 3.684438 245.0480       25.35084 259.0721       36.26814 231.6503       35.44890 72.32233 5.157104 68.33671 5.342015 3.985619       7.425149 
1 1 1 -9  5  35 o 121.9889 3.427664 731.5866       40.88783 766.9699       58.83216 698.5286       56.86619 124.6339 4.831655 118.9204 4.895773 5.713501       6.878480 
1 1 1 -9  5  36 o 23.65294 7.627295 27.30249       20.08676 45.08665       28.16389 8.890827       28.65645 29.73521 8.948177 21.22635 8.683178 8.508865       12.46866 
1 1 1 -9  5  37 o 46.46124 4.879770 107.8695       21.86117 131.8827       30.97306 84.03130       30.85999 51.10146 6.327241 40.19190 8.123969 10.90956       10.29722 
1 1 1 -9  5  38 o 27.83662 7.675278 40.25547       21.58702 39.34280       30.18417 41.21103       30.88520 28.26933 9.364627 28.82103 9.469469 -0.5517063     13.31792 
1 1 1 -9  5  39 o 81.05961 4.377232 326.0322       34.60160 307.4000       63.00074 334.0803       41.40561 77.27248 8.467942 81.83044 5.196215 -4.557953      9.935124 
1 1 1 -9  5  40 o 79.47488 4.437551 313.9048       34.38360 305.4000       62.37862 317.6165       41.20917 76.89342 8.425627 79.68398 5.313804 -2.790550      9.961310 
1 1 1 -9  5  41 o 65.45811 4.136914 213.0162       26.37054 194.3580       36.54378 233.2883       38.09150 61.94177 6.106652 68.02769 5.775057 -6.085915      8.404908 
1 1 1 -9  5  42 o 39.48902 7.066051 81.30132       26.30954 72.27760       32.50271 98.45000       44.80664 36.61631 9.106574 42.25449 10.79528 -5.638176      14.12330 
1 1 1 -9  5  43 f 16.22395 7.317942 -10.77869      24.60435 -12.84386      30.45408 -6.897000      41.75200 18.01674 8.132686 22.12490 9.784663 -4.108158      12.72322 
1 1 1 -9  5  44 o 26.65931 8.136220 37.26922       23.17130 29.04377       32.66713 45.59825       32.87216 25.77090 9.630172 29.58541 9.771622 -3.814510      13.71950 
1 1 1 -9  5  45 o 23.78726 8.735537 25.55867       26.66897 43.24261       32.55971 -10.49000      46.48746 28.81908 9.729310 22.66854 10.15535 6.150541       14.06380 
1 1 1 -9  5  46 o 102.7152 3.598188 524.7627       36.12047 504.1326       50.46203 546.4388       51.72551 99.81845 5.182478 103.9870 5.097355 -4.168564      7.269188 
1 1 1 -9  5  47 o 56.97298 5.323575 166.0585       29.34411 154.6000       48.37403 172.7297       36.91080 52.40974 9.789519 57.41651 6.693019 -5.006771      11.85880 
1 1 1 -9  5  48 o 31.52260 7.657826 54.53250       23.39157 23.23945       32.91522 86.46279       33.24867 24.05308 9.487812 39.27019 8.861056 -15.21712      12.98218 
1 1 1 -9  5  49 o 77.18049 3.910506 298.9175       29.44619 257.2804       40.79066 344.2271       42.55155 70.43531 5.972752 81.98775 5.331160 -11.55244      8.005938 
1 1 1 -9  5  50 o 51.72461 4.867395 136.8577       24.35370 126.3302       33.47766 148.6911       35.49333 48.42504 7.288585 52.74507 7.051260 -4.320030      10.14119 
1 1 1 -9  5  51 o 45.68112 5.564494 108.7346       24.36829 105.2140       33.79087 112.5496       35.17470 43.43777 8.248982 44.92516 8.304811 -1.487389      11.70537 
1 1 1 -9  5  52 o 52.98223 5.503250 145.9936       28.12483 116.0612       34.31966 207.2000       49.07621 45.75882 7.950730 60.98503 8.447918 -15.22621      11.60092 
1 1 1 -9  5  53 o 45.76395 6.682713 112.9137       29.05243 167.2000       52.11566 88.43714       34.99436 52.68404 10.47503 38.75522 9.336248 13.92883       14.03181 
1 1 1 -9  5  54 o 53.59302 4.849404 148.2583       25.16415 161.4576       34.78828 133.7723       36.44442 54.77112 6.623325 48.91178 7.879899 5.859341       10.29375 
1 1 1 -9  5  55 o 20.83411 7.915120 19.89288       22.27202 9.304900       31.04686 31.11855       31.96814 20.59195 8.771066 24.82363 9.470365 -4.231672      12.90811 
1 1 1 -9  5  56 o 17.69473 7.788658 -0.3955114     26.16168 -2.806000      48.78988 0.5772484      30.99417 22.63943 10.24938 19.17759 8.458017 3.461842       13.28864 
1 1 1 -9  5  57 o 18.26132 7.958334 2.265412       26.71565 -3.818512      31.72752 17.09000       49.52626 18.73121 8.390697 24.92633 10.84971 -6.195118      13.71569 
1 1 1 -9  5  58 o 32.84647 8.306252 62.86532       26.71788 101.0566       34.13169 2.433000       42.93489 41.62848 8.658913 22.00319 9.815244 19.62529       13.08877 
1 1 1 -9  5  59 o 42.46103 8.205275 103.6907       32.86857 108.6000       47.83612 99.30000       45.23889 40.50846 11.51951 38.94175 11.24352 1.566711       16.09707 
1 1 1 -9  5  60 o 26.46116 8.979019 41.01035       27.73329 27.89342       33.31281 70.63000       50.05934 23.94581 9.513333 32.40110 11.95627 -8.455286      15.27926 
1 1 1 -9  5  61 o 22.68906 8.145864 28.10446       23.01314 14.35231       32.62202 41.72832       32.46951 21.26715 9.022147 26.50436 9.653782 -5.237207      13.21343 
1 1 1 -9  6  1  o 230.2163 4.615598 2595.247       104.0088 2594.620       147.6372 2595.865       146.5503 230.0328 6.563628 230.0914 6.513544 -0.5854797E-01 9.247025 
1 1 1 -9  6  2  o 509.2599 13.50974 12759.37       672.8355 13260.00       978.2959 12310.00       926.8530 517.7548 19.33765 498.9256 19.01360 18.82925       27.11940 
1 1 1 -9  6  3  o 189.1555 4.594781 1752.039       85.07267 1757.000       149.3668 1749.656       103.5007 189.1465 8.086355 188.9197 5.603247 0.2268066      9.837963 
1 1 1 -9  6  4  o 622.1473 16.44053 19085.38       1000.309 0.000000       0.000000 19085.38       1000.309 ?        ?        622.1473 16.44053 ?              ?        
1 1 1 -9  6  5  o 397.2529 10.64055 7751.167       413.3768 0.000000       0.000000 7751.167       413.3768 ?        ?        397.2529 10.64055 ?              ?        
1 1 1 -9  6  6  o 330.2308 8.967374 5352.159       289.5923 0.000000       0.000000 5352.159       289.5923 ?        ?        330.2308 8.967374 ?              ?        
1 1 1 -9  6  7  o 396.2750 10.62076 7713.690       411.5919 0.000000       0.000000 7713.690       411.5919 ?        ?        396.2750 10.62076 ?              ?        
1 1 1 -9  6  8  o 178.0535 4.444340 1552.413       77.45760 1455.000       130.8485 1604.963       96.10547 172.1072 7.787355 180.9371 5.432585 -8.829849      9.495046 
1 1 1 -9  6  9  o 187.7577 4.619728 1726.340       84.90250 1718.000       148.3818 1730.399       103.5243 187.0137 8.125284 187.8672 5.636070 -0.8535309     9.888657 
1 1 1 -9  6  10 o 244.2417 5.639216 2922.192       134.8170 3025.000       239.6017 2874.564       163.0824 248.0731 9.887234 242.0916 6.889107 5.981537       12.05061 
1 1 1 -9  6  11 o 182.8893 4.561334 1638.029       81.65569 1464.000       134.2152 1740.299       102.8882 172.6093 7.965329 188.4006 5.585431 -15.79129      9.728489 
1 1 1 -9  6  12 f 385.9145 8.464993 7305.205       319.7598 7503.000       564.7717 7211.888       387.9238 389.9268 14.82434 383.0905 10.35470 6.836304       18.08261 
1 1 1 -9  6  13 o 91.69754 3.802438 412.4283       34.05514 382.6000       61.11927 425.8583       41.01132 88.05217 7.152950 93.14027 4.511841 -5.088104      8.457033 
1 1 1 -9  6  14 o 93.08250 3.205530 424.7109       29.16256 408.8978       40.49843 441.7412       42.02827 91.25652 4.548193 94.85997 4.539568 -3.603447      6.426021 
1 1 1 -9  6  15 o 267.5016 5.280876 3506.211       138.2734 3487.705       194.7306 3525.032       196.3760 266.5344 7.471423 267.9555 7.494564 -1.421082      10.58256 
1 1 1 -9  6  16 f 268.6879 5.302697 3537.866       139.4604 3522.668       196.5276 3553.282       197.9336 267.8302 7.503882 268.9898 7.524965 -1.159637      10.62701 
1 1 1 -9  6  17 o 155.6200 3.607098 1186.040       54.94516 1165.612       76.93820 1207.302       78.49353 154.1377 5.106540 156.8721 5.118749 -2.734344      7.230376 
1 1 1 -9  6  18 o 400.7027 8.790979 7893.449       344.7988 7910.328       422.9418 7860.000       595.3797 400.5334 10.79772 397.7631 15.32061 2.770325       18.74331 
1 1 1 -9  6  19 o 279.6191 7.832217 3844.789       214.1558 3698.000       295.5756 4007.000       310.7153 273.5787 11.06054 284.7708 11.16874 -11.19202      15.71866 
1 1 1 -9  6  20 o 120.5732 3.748918 712.9077       44.19110 678.0270       52.45456 798.2000       82.02497 117.5261 4.568467 127.3395 6.603329 -9.813347      8.029622 
1 1 1 -9  6  21 o 230.7623 5.424134 2612.106       122.5184 2563.844       148.0451 2717.000       218.2549 228.3977 6.629117 234.6080 9.523984 -6.210342      11.60394 
1 1 1 -9  6  22 o 114.4755 3.683951 642.7495       41.22559 558.3000       65.16146 699.1123       53.23394 106.4472 6.281818 119.3277 4.566075 -12.88052      7.765970 
1 1 1 -9  6  23 o 287.9120 8.033982 4083.981       226.1893 4501.000       341.7784 3759.000       301.7146 301.1923 11.61473 275.3380 11.21849 25.85425       16.14795 
1 1 1 -9  6  24 f 187.9530 4.049942 1731.709       74.50825 1708.265       104.4690 1755.981       106.2958 186.4387 5.731410 189.0242 5.751725 -2.585541      8.119816 
1 1 1 -9  6  25 o 116.3305 3.304273 663.5995       37.58681 663.2405       53.15784 663.9586       53.15371 116.1854 4.683825 116.2487 4.680889 -0.6324768E-01 6.621853 
1 1 1 -9  6  26 o 133.4399 3.434463 873.1723       44.82185 821.3737       61.56199 931.6060       65.38603 129.2878 4.873343 137.7033 4.858647 -8.415543      6.881564 
1 1 1 -9  6  27 o 240.9278 5.652439 2851.546       133.2997 2816.809       162.1351 2924.000       234.1596 239.1311 6.934156 242.8453 9.871478 -3.714203      12.06352 
1 1 1 -9  6  28 o 248.1557 5.018580 3023.625       121.9021 3077.602       174.2142 2971.844       170.6329 249.8511 7.130837 245.5229 7.107581 4.328110       10.06810 
1 1 1 -9  6  29 o 255.9854 5.156214 3219.034       129.1970 3245.030       183.8789 3193.687       181.5672 256.4272 7.333443 254.3987 7.299037 2.028412       10.34675 
1 1 1 -9  6  30 o 167.6771 4.370088 1381.061       71.66381 1299.000       117.8269 1429.239       90.28238 162.0480 7.448306 170.4127 5.419353 -8.364655      9.211225 
1 1 1 -9  6  31 o 205.9048 5.011595 2084.149       101.0064 2100.000       173.4142 2076.010       124.2603 205.6219 8.635288 205.1724 6.194481 0.4494781      10.62731 
1 1 1 -9  6  32 o 47.74582 4.744836 113.1673       21.88183 99.28423       30.66875 127.5632       31.23005 44.23030 7.341116 50.43774 6.474904 -6.207443      9.788584 
1 1 1 -9  6  33 o 156.4079 4.248039 1203.310       64.97570 1209.000       110.3134 1200.287       80.40295 156.0355 7.242441 155.9999 5.273103 0.3564453E-01  8.958714 
1 1 1 -9  6  34 o 84.37350 3.374397 350.0674       27.81196 346.5017       38.99948 353.7574       39.67328 83.74268 4.777619 84.61226 4.810069 -0.8695755     6.779558 
1 1 1 -9  6  35 o 56.34919 4.146389 157.1128       22.70972 151.0503       31.64000 163.5547       32.61498 54.91825 5.982508 57.18554 5.911871 -2.267292      8.410745 
1 1 1 -9  6  36 o 42.05323 5.235463 88.77269       21.08529 74.65282       29.30125 103.9368       30.36541 37.88260 8.144400 45.12974 7.108953 -7.247135      10.81057 
1 1 1 -9  6  37 o 49.93242 4.549922 124.1415       21.99383 125.9799       30.92370 122.2596       31.28744 49.87420 6.488099 49.06942 6.687971 0.8047791      9.317960 
1 1 1 -9  6  38 o 64.81812 3.934232 208.0060       24.84350 202.2434       34.60704 214.1335       35.68580 63.53143 5.623060 65.38363 5.630766 -1.852203      7.957658 
1 1 1 -9  6  39 o 78.12898 3.692608 301.7976       28.15924 298.2578       39.07981 305.6201       40.61063 77.28722 5.196006 78.19688 5.337721 -0.9096680     7.449143 
1 1 1 -9  6  40 o 61.88366 5.104622 191.7968       30.64571 211.2000       57.35323 184.0432       36.25535 63.27301 9.558191 60.27490 6.235022 2.998108       11.41203 
1 1 1 -9  6  41 o 12.28447 6.051348 -53.39891      25.81905 -52.68000      48.48091 -53.68354      30.50485 19.62896 9.321456 13.98564 6.824038 5.643322       11.55236 
1 1 1 -9  6  42 o 43.35890 5.672472 95.73698       23.49772 118.0302       32.71746 71.98758       33.76908 47.69208 7.235368 36.46447 9.401052 11.22761       11.86298 
1 1 1 -9  6  43 o 40.78490 6.117149 85.63360       23.66824 95.01529       33.18852 75.92445       33.76276 42.21197 8.328337 37.35865 9.275747 4.853317       12.46598 
1 1 1 -9  6  44 o 38.20043 9.159833 79.66605       33.80676 79.66605       33.80676 0.000000       0.000000 38.20043 9.159833 ?        ?        ?              ?        
1 1 1 -9  6  45 o 78.22559 4.389506 306.4687       33.47535 301.8153       40.63251 316.3000       59.06036 77.17316 5.413331 77.56515 7.888632 -0.3919907     9.567375 
1 1 1 -9  6  46 o 40.91677 6.912942 88.57970       26.70135 45.09000       42.76416 116.3680       34.18361 29.90083 11.04774 46.60991 7.765712 -16.70908      13.50403 
1 1 1 -9  6  47 o 39.50462 6.357612 82.18818       23.74967 41.13980       32.89827 126.8639       34.32109 27.93950 9.767130 48.70678 7.434062 -20.76727      12.27445 
1 1 1 -9  6  48 f 41.25292 6.166435 89.39970       24.13680 111.9125       34.39453 67.55486       33.88046 45.25106 8.060810 34.31618 9.672931 10.93488       12.59136 
1 1 1 -9  6  49 o 39.29370 6.373885 81.87128       23.67587 81.77354       33.50606 81.96873       33.45947 37.87489 9.142756 37.93098 9.123821 -0.5609131E-01 12.91643 
1 1 1 -9  6  50 o 22.06546 7.998570 23.51388       22.25330 30.39920       31.03159 16.22437       31.92944 25.02822 9.379177 22.36246 9.158833 2.665758       13.10928 
1 1 1 -9  6  51 o 45.17554 5.619698 106.5427       24.31407 110.5059       34.17593 102.4808       34.59853 44.59810 8.128230 42.62159 8.590273 1.976509       11.82628 
1 1 1 -9  6  52 o 48.00542 6.288514 122.2917       28.83932 107.0000       50.94951 129.5009       34.98306 40.92479 11.96605 48.59462 7.603775 -7.669830      14.17758 
1 1 1 -9  6  53 o 27.78406 7.949658 43.78978       22.71299 25.76145       31.65516 62.91983       32.60806 23.77215 9.326439 32.47218 9.594054 -8.700033      13.38015 
1 1 1 -9  6  54 o 42.74075 5.806778 96.89123       23.66542 95.32407       32.98424 98.55382       33.97359 40.65901 8.559052 41.26920 8.685596 -0.6101875     12.19413 
1 1 1 -9  6  55 o 17.02829 7.290631 3.541177       21.64977 30.58503       30.31928 -24.59313      30.92450 24.50879 9.252316 16.11969 7.591571 8.389093       11.96818 
1 1 1 -9  6  56 o 54.93137 5.677466 159.0178       30.08738 161.0520       35.99395 154.3000       54.81590 54.38251 6.918211 48.92710 11.61973 5.455406       13.52330 
1 1 1 -9  6  57 o 33.71776 8.473841 66.42012       27.93027 39.72000       50.05290 78.49342       33.65779 27.95309 11.46001 36.06839 9.429316 -8.115295      14.84061 
1 1 1 -9  6  58 o 53.63442 7.588604 160.6791       38.72785 0.000000       0.000000 160.6791       38.72785 ?        ?        53.63442 7.588604 ?              ?        
1 1 1 -9  6  59 o 20.52735 8.371486 15.43827       26.53592 15.38949       32.27795 15.54000       46.60878 21.66863 9.070754 24.13251 10.51444 -2.463881      13.88640 
1 1 1 -9  6  60 o 24.24606 8.709282 32.64299       26.31043 56.15448       33.32957 -6.236000      42.85950 30.06319 9.834777 20.78172 9.485390 9.281469       13.66366 
1 1 1 -9  6  61 o 25.53112 8.293274 38.31693       23.72149 64.97147       33.83797 12.55912       33.26391 31.89236 9.850526 21.06565 9.028488 10.82672       13.36213 
1 1 1 -9  7  1  o 573.8925 10.70267 16166.13       601.2136 16818.69       875.2657 15583.20       827.2533 584.2712 15.31771 562.4544 15.03955 21.81683       21.46673 
1 1 1 -9  7  2  o 564.6639 14.95143 15704.88       825.6512 16190.00       1193.760 15260.00       1143.177 571.4337 21.38018 554.8536 21.08724 16.58002       30.02972 
1 1 1 -9  7  3  o 409.6327 10.95730 8243.553       438.9491 0.000000       0.000000 8243.553       438.9491 ?        ?        409.6327 10.95730 ?              ?        
1 1 1 -9  7  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  7  5  o 252.8768 7.084874 3136.222       175.1940 0.000000       0.000000 3136.222       175.1940 ?        ?        252.8768 7.084874 ?              ?        
1 1 1 -9  7  6  o 452.3623 9.824221 10040.78       435.0015 10200.00       763.3873 9964.226       529.3521 454.4137 17.19378 450.1878 12.02357 4.225830       20.98076 
1 1 1 -9  7  7  o 183.7524 4.549023 1653.433       81.81960 1675.000       144.7420 1643.305       99.18730 184.6638 8.026848 183.0803 5.541260 1.583588       9.753760 
1 1 1 -9  7  8  o 353.6477 7.795816 6131.300       269.8601 5925.000       457.8424 6241.126       334.0561 346.8014 13.51329 356.5197 9.581280 -9.718231      16.56532 
1 1 1 -9  7  9  o 506.6178 10.95228 12604.74       543.1141 12820.00       953.1229 12501.24       660.9114 508.7721 19.17331 503.9254 13.41087 4.846680       23.39802 
1 1 1 -9  7  10 o 297.4169 6.675885 4334.977       194.3483 4108.000       326.0358 4460.082       242.0537 288.9142 11.55225 301.4640 8.210594 -12.54980      14.17280 
1 1 1 -9  7  11 o 233.4547 5.453106 2669.850       124.6099 2742.000       221.0662 2636.250       150.8604 236.1654 9.583025 231.8330 6.654928 4.332458       11.66715 
1 1 1 -9  7  12 o 269.4008 6.140290 3556.509       161.9176 3336.000       270.3789 3679.808       202.1802 260.3723 10.63129 273.8388 7.550088 -13.46646      13.03949 
1 1 1 -9  7  13 o 329.1636 7.321768 5313.229       235.9033 5153.000       401.2903 5397.842       291.6126 323.2759 12.70650 331.4867 8.995714 -8.210785      15.56849 
1 1 1 -9  7  14 o 366.2864 8.075632 6583.870       289.5367 6393.000       492.4897 6684.686       357.9252 359.7054 14.01444 368.6964 9.926872 -8.990967      17.17403 
1 1 1 -9  7  15 o 64.61137 4.367027 205.4206       27.45630 205.0000       51.40732 205.5885       32.47631 64.07619 8.398341 64.56660 5.182173 -0.4904175     9.868488 
1 1 1 -9  7  16 o 199.3792 4.852467 1947.823       94.69971 1887.225       113.4582 2087.000       171.9449 196.1081 5.917405 205.9482 8.548110 -9.840134      10.39643 
1 1 1 -9  7  17 o 78.13180 3.983262 299.8065       30.36249 340.1000       57.14148 283.9544       35.84081 82.94308 7.106680 75.96677 4.845265 6.976311       8.601250 
1 1 1 -9  7  18 o 135.1026 3.367174 893.9464       44.52825 842.9128       60.97941 952.2433       65.17461 131.0572 4.761443 139.3062 4.786827 -8.248947      6.751670 
1 1 1 -9  7  19 o 117.1375 3.229909 672.5286       36.99795 640.2508       50.60310 709.6006       54.23111 114.2056 4.535739 120.2349 4.616569 -6.029289      6.471911 
1 1 1 -9  7  20 o 118.1986 3.745839 685.1595       43.28317 647.4349       51.13433 780.5000       81.29025 114.8371 4.558141 125.9054 6.619366 -11.06826      8.036956 
1 1 1 -9  7  21 o 85.58076 3.709203 359.5180       30.99777 336.4921       36.45689 419.6000       58.89021 82.72745 4.519354 92.20235 6.568227 -9.474907      7.972839 
1 1 1 -9  7  22 o 199.5083 4.860926 1952.098       94.92621 1873.609       113.0265 2140.000       174.8806 195.2694 5.920271 208.2558 8.597521 -12.98642      10.43873 
1 1 1 -9  7  23 o 125.3599 3.289087 770.4338       40.32412 785.3260       57.02347 755.5380       57.03038 126.4630 4.614374 124.0297 4.706118 2.433258       6.590902 
1 1 1 -9  7  24 o 269.7642 5.344935 3571.894       141.1344 3428.061       194.5377 3731.717       205.0667 263.7946 7.541847 275.2208 7.619487 -11.42615      10.72082 
1 1 1 -9  7  25 o 121.7592 3.818090 727.4180       45.44826 676.7382       54.21695 847.2000       83.35147 117.3550 4.729526 131.1113 6.515228 -13.75625      8.050876 
1 1 1 -9  7  26 o 277.1631 6.329864 3776.733       171.7260 3712.060       208.0464 3915.000       304.1999 274.3620 7.754717 280.6689 11.09468 -6.306915      13.53616 
1 1 1 -9  7  27 o 271.6457 5.397099 3624.286       143.5058 3545.141       200.0552 3708.180       205.9697 268.0832 7.631610 274.1689 7.682582 -6.085693      10.82883 
1 1 1 -9  7  28 o 148.5228 3.631845 1081.511       52.79910 1009.374       72.72178 1161.927       76.78197 143.2587 5.194658 153.7285 5.109782 -10.46986      7.286587 
1 1 1 -9  7  29 o 42.72484 5.640138 91.28277       23.01164 114.8000       33.61814 70.54964       31.56552 47.68683 7.445467 37.02756 8.833220 10.65927       11.55252 
1 1 1 -9  7  30 o 249.1119 5.793815 3053.927       141.2750 2881.000       233.7122 3153.498       177.3434 240.4760 9.950452 252.6701 7.177863 -12.19417      12.26920 
1 1 1 -9  7  31 o 196.8687 4.246896 1903.176       81.83794 1859.511       114.6010 1948.616       116.9061 194.1756 6.036920 198.7832 6.015214 -4.607559      8.522160 
1 1 1 -9  7  32 o 70.39558 3.686833 243.8974       25.31562 260.7288       35.48264 226.4467       36.12952 72.62225 5.022541 67.58223 5.509404 5.040024       7.455163 
1 1 1 -9  7  33 o 36.22813 9.269717 68.09867       33.00283 77.44000       49.90876 60.84000       43.99475 38.96589 11.95023 35.05299 11.28658 3.912899       16.43760 
1 1 1 -9  7  34 o 81.85110 4.592155 330.9552       36.64396 320.9000       48.92793 343.8000       55.29988 80.27006 6.277147 82.96269 6.871391 -2.692635      9.306911 
1 1 1 -9  7  35 o 84.11243 3.975784 348.9408       32.64061 346.0219       39.23693 355.5000       58.81741 83.60921 4.814766 84.17241 7.208201 -0.5631943     8.668341 
1 1 1 -9  7  36 o 122.2801 3.408449 735.8215       40.75632 714.5928       57.01507 758.0040       58.28208 120.1624 4.857478 123.7746 4.819790 -3.612206      6.842914 
1 1 1 -9  7  37 o 28.90273 7.186954 43.47871       20.24668 11.08159       27.82541 79.93094       29.51552 21.33487 8.619417 39.17679 7.968505 -17.84192      11.73846 
1 1 1 -9  7  38 o 123.1228 3.470166 747.3356       41.77935 733.2120       58.72231 761.8135       59.45434 121.4985 4.948067 123.8617 4.913634 -2.363251      6.973318 
1 1 1 -9  7  39 o 36.50239 6.373513 68.60246       21.94414 73.22541       30.44176 63.60160       31.66158 37.17673 8.544775 34.56189 9.197870 2.614834       12.55444 
1 1 1 -9  7  40 o 62.28281 4.156363 192.8654       25.19390 178.6642       34.75304 208.5956       36.57591 59.40966 6.061076 64.29781 5.876456 -4.888149      8.442120 
1 1 1 -9  7  41 o 20.01799 7.761979 13.92041       21.71987 13.70040       29.82079 14.16899       31.69816 22.17859 8.936301 22.75032 9.196683 -0.5717335     12.82328 
1 1 1 -9  7  42 o 89.59749 4.304965 399.4390       37.64429 433.1000       68.95291 385.1463       44.93109 91.66355 7.757886 87.62153 5.263036 4.042023       9.374665 
1 1 1 -9  7  43 o 16.43419 7.762063 -33.49580      32.75660 -18.37000      48.48214 -46.20000      44.43203 22.52014 10.20402 18.88982 8.956858 3.630318       13.57746 
1 1 1 -9  7  44 o 75.33185 3.882727 282.4616       28.53342 283.7439       39.76723 281.1010       40.96410 74.89698 5.461985 74.45568 5.663301 0.4412994      7.868052 
1 1 1 -9  7  45 o 77.72719 5.260496 305.8797       39.78688 323.9000       54.12817 284.7000       58.68155 78.95257 7.079135 73.17413 8.341701 5.778442       10.94066 
1 1 1 -9  7  46 o 19.90066 8.138894 10.51475       25.16892 5.091084       30.50072 22.09000       44.55832 20.38530 8.688649 26.16947 10.77968 -5.784174      13.84536 
1 1 1 -9  7  47 o 66.33272 4.156638 221.1763       26.85268 219.7431       37.73644 222.6465       38.21900 65.21456 5.978111 65.62485 6.016726 -0.4102859     8.481674 
1 1 1 -9  7  48 f 46.58506 5.460165 112.1518       24.42573 91.71022       34.08177 133.7391       35.02389 40.39109 8.864283 49.90174 7.393755 -9.510647      11.54310 
1 1 1 -9  7  49 o 24.36307 8.102225 31.41209       22.58920 47.57922       32.00041 15.35455       31.89176 29.17126 9.641445 22.24657 9.137057 6.924690       13.28320 
1 1 1 -9  7  50 f 79.80420 3.864340 319.9276       30.09639 342.9991       42.55438 296.8381       42.57108 81.68980 5.351408 75.66296 5.792146 6.026848       7.885843 
1 1 1 -9  7  51 o 39.31990 7.656332 85.41058       28.40705 54.29000       49.12506 101.0446       34.81885 31.01813 11.76191 42.18427 8.720813 -11.16613      14.64223 
1 1 1 -9  7  52 o 35.97136 6.962947 70.70998       23.63019 84.45146       33.20076 56.60264       33.63983 38.16258 9.029785 31.00087 9.857736 7.161709       13.36832 
1 1 1 -9  7  53 o 39.65289 6.191440 84.28363       23.24603 97.36599       32.95695 71.33083       32.79335 41.25026 8.446843 34.58595 9.429584 6.664310       12.65963 
1 1 1 -9  7  54 o 87.54218 3.715957 386.3855       31.76912 413.6109       45.10685 359.5869       44.75190 89.36453 5.178879 82.97679 5.541729 6.387741       7.584955 
1 1 1 -9  7  55 o 20.62840 8.370230 15.44853       26.36946 17.86247       31.33699 9.593000       48.80636 22.09220 9.063643 24.02766 10.60469 -1.935467      13.95023 
1 1 1 -9  7  56 o 39.74206 7.613597 88.81773       28.53947 5.371000       51.28280 126.2566       34.35015 23.87711 10.68378 47.52772 7.642795 -23.65061      13.13604 
1 1 1 -9  7  57 o 26.88884 8.728474 41.77269       26.27890 20.95000       44.48151 52.93686       32.57051 24.64995 10.49907 29.66235 9.723228 -5.012403      14.30984 
1 1 1 -9  7  58 o 26.24667 8.324136 39.69079       24.00045 66.94600       33.95343 12.47302       33.93011 32.93347 9.805025 21.52439 9.168801 11.40908       13.42406 
1 1 1 -9  7  59 o 30.36904 8.680019 54.79338       27.09218 33.89000       47.06432 65.15269       33.13210 26.59541 11.02854 32.50709 9.687563 -5.911680      14.67915 
1 1 1 -9  7  60 o 22.47716 8.182091 26.86575       23.31946 13.52105       33.25630 39.77400       32.70794 21.35992 9.087283 26.22789 9.666924 -4.867973      13.26756 
1 1 1 -9  7  61 o 14.85631 7.143000 -33.25558      30.41397 -54.53000      45.10642 -15.52000      41.18434 17.13225 8.345778 19.27584 8.974458 -2.143595      12.25532 
1 1 1 -9  8  1  o 251.4068 7.041948 3099.856       173.1203 2932.000       236.6795 3293.000       253.8830 244.2428 9.920588 258.8531 10.03918 -14.61032      14.11393 
1 1 1 -9  8  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  4  o 714.2947 18.89932 25229.27       1320.226 0.000000       0.000000 25229.27       1320.226 ?        ?        714.2947 18.89932 ?              ?        
1 1 1 -9  8  5  f 339.7802 7.533392 5659.097       250.5503 5217.000       411.2097 5920.134       315.9765 325.4937 12.93242 347.2631 9.304252 -21.76947      15.93163 
1 1 1 -9  8  6  o 497.1628 10.75370 12135.91       523.3144 12540.00       928.6657 11947.88       633.4698 503.3462 18.88239 492.7325 13.14609 10.61377       23.00792 
1 1 1 -9  8  7  o 69.84902 3.844603 239.6030       26.18423 274.5000       54.57920 229.1699       29.84275 74.44568 7.596331 68.26206 4.491308 6.183617       8.824743 
1 1 1 -9  8  8  o 210.5496 5.042803 2171.253       103.9280 2050.000       176.3789 2235.742       128.6295 204.2375 8.843731 213.5256 6.160822 -9.288147      10.77809 
1 1 1 -9  8  9  o 271.4997 6.174600 3611.775       164.0909 3604.000       285.4825 3615.611       200.5253 270.6706 10.79704 271.4609 7.554018 -0.7902832     13.17722 
1 1 1 -9  8  10 o 308.9084 6.909211 4677.338       208.9124 4479.000       352.9189 4784.330       259.2061 301.5924 11.97879 312.1854 8.490434 -10.59305      14.68261 
1 1 1 -9  8  11 o 259.1735 5.942000 3291.398       150.7403 3145.000       255.1643 3369.881       186.8259 252.8277 10.33249 262.0648 7.290283 -9.237091      12.64550 
1 1 1 -9  8  12 o 369.0338 8.124261 6681.513       293.4649 6435.000       496.4838 6813.891       363.8260 361.0090 14.07713 372.3052 9.992663 -11.29620      17.26322 
1 1 1 -9  8  13 o 369.1922 8.129761 6688.994       293.7896 6621.000       506.6296 6723.442       360.6132 366.0344 14.16718 369.7560 9.972795 -3.721588      17.32529 
1 1 1 -9  8  14 o 233.8543 5.485182 2680.140       125.5575 2568.000       213.6683 2739.287       155.1757 228.3937 9.578885 236.2456 6.717302 -7.851898      11.69945 
1 1 1 -9  8  15 o 343.3068 9.376718 5797.671       314.7984 5545.000       432.2654 6083.000       459.3527 334.8955 13.21259 350.7383 13.40470 -15.84280      18.82176 
1 1 1 -9  8  16 o 237.7929 5.561107 2772.111       129.4393 2597.000       216.7818 2869.133       161.3614 229.5664 9.669004 241.7190 6.826811 -12.15262      11.83617 
1 1 1 -9  8  17 o 102.9668 3.142056 519.6789       31.63069 527.7518       44.21240 511.2146       45.27150 103.6911 4.365856 102.0380 4.544098 1.653107       6.301550 
1 1 1 -9  8  18 o 235.5629 4.759015 2719.905       109.7312 2553.102       148.8683 2918.354       162.3769 227.9598 6.678917 243.7156 6.813357 -15.75578      9.540953 
1 1 1 -9  8  19 o 92.36902 3.130404 418.3498       28.26214 416.4731       38.86168 420.4565       41.17606 92.08327 4.323635 92.50504 4.561573 -0.4217606     6.285043 
1 1 1 -9  8  20 o 165.1100 3.715740 1335.656       60.05164 1277.989       82.54828 1400.481       87.52144 161.3358 5.234149 168.8918 5.300754 -7.556000      7.449450 
1 1 1 -9  8  21 o 163.7585 4.284409 1315.400       68.61639 1245.169       81.05584 1493.000       128.8965 159.2374 5.207358 174.0710 7.583185 -14.83362      9.198982 
1 1 1 -9  8  22 o 232.0780 5.451940 2643.244       123.8487 2548.093       147.7568 2868.000       227.0892 227.6164 6.638990 240.8515 9.652089 -13.23511      11.71491 
1 1 1 -9  8  23 o 214.6411 6.375740 2265.827       133.8036 2467.000       199.7202 2102.000       180.2309 223.4068 9.152500 206.2354 8.949422 17.17145       12.80080 
1 1 1 -9  8  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  8  25 o 181.7557 5.696734 1624.174       101.2240 1616.000       144.7377 1632.000       141.6180 180.8578 8.197260 181.7976 7.977797 -0.9397430     11.43854 
1 1 1 -9  8  26 o 244.6183 4.942793 2936.969       118.3498 2809.029       162.7745 3080.458       172.3822 238.7931 6.971456 250.0551 7.049922 -11.26199      9.914766 
1 1 1 -9  8  27 f 239.8583 4.878066 2824.265       114.5272 2690.377       157.3318 2975.178       167.0353 233.6527 6.886740 245.7029 6.952302 -12.05016      9.785789 
1 1 1 -9  8  28 o 142.5765 4.017444 997.9163       56.01065 1002.000       92.76105 995.5730       70.26598 142.4895 6.669347 142.2831 5.053310 0.2064209      8.367564 
1 1 1 -9  8  29 o 185.7510 4.080602 1692.958       74.19276 1657.051       104.0133 1730.151       105.8599 183.4422 5.800018 187.4533 5.776315 -4.011124      8.185721 
1 1 1 -9  8  30 o 197.0426 4.242998 1906.104       81.83504 1848.997       114.1439 1966.505       117.3888 193.6707 6.028534 199.7397 6.011050 -6.069061      8.513281 
1 1 1 -9  8  31 f 172.2787 3.894928 1456.918       65.68061 1433.759       92.12465 1480.859       93.66740 170.5592 5.525455 173.3404 5.527618 -2.781219      7.815703 
1 1 1 -9  8  32 o 63.42190 3.749290 198.1786       23.17141 185.4348       31.57129 213.0587       34.11498 61.12724 5.329808 65.54833 5.364001 -4.421093      7.561704 
1 1 1 -9  8  33 o 161.8158 3.753240 1286.326       59.44746 1311.464       84.84425 1262.083       83.31931 162.9948 5.325074 159.8919 5.331147 3.102936       7.535088 
1 1 1 -9  8  34 o 153.3071 3.655206 1155.156       54.85048 1119.818       76.21477 1193.124       79.00082 150.5369 5.180091 155.3854 5.201489 -4.848465      7.340902 
1 1 1 -9  8  35 o 100.0417 3.753633 493.0746       36.69173 446.1000       57.76585 524.8442       47.50576 94.58231 6.275057 103.0235 4.723467 -8.441193      7.854138 
1 1 1 -9  8  36 o 28.64541 7.874192 42.53840       22.75964 30.06989       26.74894 75.24000       43.31953 25.47198 8.812881 37.78576 11.02967 -12.31377      14.11809 
1 1 1 -9  8  37 o 35.80847 6.170636 65.64281       20.84763 39.43148       28.52977 95.67536       30.53865 28.10853 9.092246 43.04318 7.522013 -14.93465      11.80041 
1 1 1 -9  8  38 o 32.72873 6.693715 55.60494       20.71993 60.62898       28.43475 49.91720       30.25468 33.85329 8.573423 30.93391 9.266525 2.919378       12.62426 
1 1 1 -9  8  39 o 55.87706 4.335314 155.5016       23.52620 147.4013       32.55420 164.3567       34.03748 53.87762 6.291219 56.95461 6.205770 -3.076984      8.836912 
1 1 1 -9  8  40 f 94.78610 3.502988 444.0316       32.44455 497.0814       46.83666 395.0906       44.98630 99.87543 4.805040 88.87943 5.193609 10.99599       7.075449 
1 1 1 -9  8  41 o 62.63222 4.212034 195.3885       25.67221 208.9774       35.59351 180.6544       37.06305 64.32593 5.712334 59.51089 6.466496 4.815041       8.628228 
1 1 1 -9  8  42 o 61.98070 4.936438 192.8560       29.70132 186.2655       35.80375 207.4000       53.18820 60.49743 6.130790 62.60413 8.932758 -2.106709      10.83424 
1 1 1 -9  8  43 o 57.11299 5.489214 165.2596       30.30934 68.10000       54.19818 209.4724       36.56083 35.73859 12.53327 64.20494 5.882885 -28.46635      13.84526 
1 1 1 -9  8  44 o 26.56577 9.573032 33.85440       31.81730 0.000000       0.000000 33.85440       31.81730 ?        ?        26.56577 9.573032 ?              ?        
1 1 1 -9  8  45 o 38.94215 6.240965 79.17035       22.98591 57.62983       31.98061 102.1898       33.06023 32.25079 9.494141 43.55349 8.051407 -11.30270      12.44845 
1 1 1 -9  8  46 o 54.57745 5.406379 152.6207       28.50277 170.6246       35.19346 118.3000       48.59112 57.24510 6.389665 44.89816 11.11615 12.34694       12.82172 
1 1 1 -9  8  47 o 72.70342 4.565274 267.1477       32.32437 297.3234       40.67133 215.4000       53.26053 76.18710 5.490647 62.52261 8.958521 13.66449       10.50725 
1 1 1 -9  8  48 o 27.06605 8.099932 40.23647       23.12504 36.24480       33.51485 43.86381       31.94880 26.72695 9.796443 28.33793 9.637019 -1.610985      13.74200 
1 1 1 -9  8  49 o 40.94237 6.238309 88.59286       24.21148 45.50547       34.11852 132.3005       34.36320 28.74166 9.952680 49.57934 7.299074 -20.83768      12.34230 
1 1 1 -9  8  50 o 60.51062 5.364256 189.0466       31.44336 226.9000       54.21774 169.8630       38.59715 63.59042 8.958470 56.20950 7.178805 7.380913       11.47996 
1 1 1 -9  8  51 o 61.48657 4.544844 192.7101       27.15968 185.8093       37.66954 200.1811       39.19503 59.07975 6.628124 61.33779 6.633678 -2.258041      9.377511 
1 1 1 -9  8  52 o 23.33391 8.160908 28.53930       22.96924 18.13745       32.16662 39.36127       32.80976 22.49141 9.200031 26.86816 9.715969 -4.376747      13.38061 
1 1 1 -9  8  53 o 50.04018 5.073943 129.9386       24.50937 136.2704       34.47724 123.4697       34.84871 49.83947 7.282265 47.00845 7.850282 2.831013       10.70786 
1 1 1 -9  8  54 o 22.81219 8.610044 25.46995       26.25290 25.06554       30.93876 26.51000       49.61574 23.41403 9.209935 26.25077 11.13109 -2.836742      14.44728 
1 1 1 -9  8  55 o 25.30138 8.051989 36.10488       22.44048 32.34620       31.96052 39.75959       31.51543 24.98382 9.483994 26.57969 9.533812 -1.595869      13.44767 
1 1 1 -9  8  56 o 29.28538 8.585810 50.23195       26.19970 115.0000       45.07449 17.18443       32.19733 42.66693 10.78819 22.05589 9.131763 20.61105       14.13415 
1 1 1 -9  8  57 o 14.36104 6.654916 -13.91737      22.24094 9.039180       32.10569 -35.09877      30.83940 20.66691 8.863990 15.03477 7.219456 5.632146       11.43201 
1 1 1 -9  8  58 o 28.96934 8.008926 48.68725       23.46959 8.848107       33.35099 87.77108       33.03332 20.83153 8.985532 38.40771 8.952762 -17.57618      12.68431 
1 1 1 -9  8  59 o 21.68827 8.057269 23.75823       22.80249 23.49429       32.93553 24.00121       31.60104 23.11658 9.363719 23.01474 9.224808 0.1018391      13.14444 
1 1 1 -9  8  60 f 26.14815 8.841415 40.28954       26.88832 10.67000       46.11354 55.54762       33.09706 23.13329 10.25419 29.80440 9.803205 -6.671106      14.18631 
1 1 1 -9  8  61 o 17.64676 7.795660 0.8148249      26.43288 30.18000       45.54756 -14.09732      32.45778 25.33653 10.70047 17.33396 8.034949 8.002573       13.38135 
1 1 1 -9  9  1  o 260.7835 7.278489 3335.908       185.6105 3113.000       251.4029 3603.000       275.1933 251.6310 10.22836 270.7213 10.40443 -19.09033      14.59012 
1 1 1 -9  9  2  o 541.4375 11.67473 14402.16       618.7305 14520.00       1078.105 14344.29       755.5432 541.1728 20.38901 539.6457 14.31621 1.527100       24.91316 
1 1 1 -9  9  3  o 515.8267 11.13978 13067.83       562.4535 13170.00       979.7776 13017.61       686.9144 515.6445 19.44687 514.2043 13.65984 1.440247       23.76493 
1 1 1 -9  9  4  o 432.0816 8.150583 9154.447       344.7154 9235.338       491.4784 9076.124       483.6190 433.4127 11.59543 429.6722 11.50936 3.740417       16.33767 
1 1 1 -9  9  5  o 432.5997 9.424852 9182.680       399.0865 8559.000       658.6436 9544.496       501.6648 416.2971 16.19460 440.5897 11.64270 -24.29260      19.94536 
1 1 1 -9  9  6  f 444.5803 9.677510 9700.290       421.1338 9005.000       692.7872 10107.80       530.3776 426.8838 16.61169 453.3347 11.96299 -26.45087      20.47099 
1 1 1 -9  9  7  f 533.8551 11.52879 14005.02       602.4395 13990.00       1043.770 14012.53       737.7236 531.0101 20.11788 533.2692 14.14571 -2.259155      24.59329 
1 1 1 -9  9  8  o 166.7032 4.320424 1361.794       70.43854 1371.000       125.7224 1357.583       85.03889 167.0374 7.710203 166.3964 5.227652 0.6409912      9.315341 
1 1 1 -9  9  9  o 72.41474 3.921100 257.5258       27.68969 219.3000       54.97267 270.5213       32.05273 66.29659 8.679528 74.19056 4.434005 -7.893967      9.746518 
1 1 1 -9  9  10 o 496.2458 10.74848 12101.62       522.0956 11730.00       885.8340 12299.42       646.2750 486.2363 18.64680 499.5900 13.22756 -13.35364      22.86201 
1 1 1 -9  9  11 o 200.2347 4.876529 1964.047       95.57764 1857.000       162.8115 2020.336       118.0620 194.3278 8.580569 202.9517 5.949500 -8.623825      10.44139 
1 1 1 -9  9  12 o 250.0483 5.780064 3064.324       141.4695 3032.000       245.3687 3080.420       173.1454 248.1622 10.12254 250.5180 7.068061 -2.355728      12.34599 
1 1 1 -9  9  13 o 96.96312 3.852054 461.1772       36.48716 351.9000       62.82322 516.8015       44.82162 84.33351 7.695200 102.6157 4.473136 -18.28220      8.900846 
1 1 1 -9  9  14 o 254.1461 7.229856 3171.939       179.6709 2957.000       243.4617 3429.000       266.2510 244.9619 10.17589 263.7930 10.33148 -18.83102      14.50132 
1 1 1 -9  9  15 o 247.0848 5.733783 2993.304       138.6735 2924.000       238.0737 3028.892       170.6028 243.5576 10.00759 248.3388 7.025416 -4.781235      12.22736 
1 1 1 -9  9  16 o 198.9087 4.875998 1939.139       94.93436 1741.000       156.7760 2053.858       119.2922 188.0019 8.541757 204.5485 5.964493 -16.54657      10.41810 
1 1 1 -9  9  17 o 312.3371 7.005689 4790.108       214.1808 4411.000       352.1344 5012.712       269.8320 298.5257 12.07586 319.1241 8.646255 -20.59842      14.85207 
1 1 1 -9  9  18 o 294.1819 5.735549 4245.671       165.1570 4143.933       229.6159 4354.726       237.7301 290.1818 8.091887 297.4599 8.172617 -7.278137      11.50088 
1 1 1 -9  9  19 o 125.0327 3.250035 766.2532       39.74199 698.0650       53.50966 850.1396       59.35036 119.2434 4.593086 131.6082 4.614308 -12.36485      6.510628 
1 1 1 -9  9  20 o 33.76312 5.224104 57.22571       16.70777 40.87318       21.29037 83.44061       26.95658 28.33874 7.542787 40.63293 7.032154 -12.29419      10.31236 
1 1 1 -9  9  21 o 120.1076 3.666978 707.5391       43.06019 668.4000       68.44194 733.1814       55.39822 116.5181 6.021415 122.1890 4.640314 -5.670982      7.601970 
1 1 1 -9  9  22 o 385.9311 8.520252 7340.781       321.8611 7031.156       382.1126 8097.000       597.1696 376.9345 10.36649 401.9981 15.20375 -25.06357      18.40158 
1 1 1 -9  9  23 o 250.9913 7.132051 3101.768       175.0406 3101.768       175.0406 0.000000       0.000000 250.9913 7.132051 ?        ?        ?              ?        
1 1 1 -9  9  24 o 228.3835 6.610989 2567.015       147.6319 2567.015       147.6319 0.000000       0.000000 228.3835 6.610989 ?        ?        ?              ?        
1 1 1 -9  9  25 o 311.2499 7.009032 4767.992       213.5372 4637.667       256.4020 5063.000       385.7654 306.4297 8.556770 318.6136 12.39315 -12.18396      15.06016 
1 1 1 -9  9  26 o 170.0050 3.833874 1417.050       63.79778 1263.977       84.90526 1615.547       96.68568 160.3256 5.418137 181.2729 5.455286 -20.94733      7.688716 
1 1 1 -9  9  27 o 181.7509 4.565892 1622.271       81.16418 1456.000       129.6421 1729.453       104.0870 171.6180 7.737409 187.4887 5.678271 -15.87076      9.597409 
1 1 1 -9  9  28 o 231.4757 4.748319 2630.919       107.5850 2546.476       149.2708 2722.202       155.1985 227.2622 6.717664 234.9698 6.754921 -7.707565      9.526592 
1 1 1 -9  9  29 o 190.5100 4.131870 1781.275       77.04964 1798.539       109.6701 1764.448       108.2726 191.0697 5.870916 189.2526 5.851844 1.817154       8.289254 
1 1 1 -9  9  30 o 197.0217 4.225053 1906.034       81.48026 1857.410       113.6423 1957.475       116.8872 194.0810 5.989231 199.2423 6.000317 -5.161346      8.477895 
1 1 1 -9  9  31 o 57.71647 3.861721 164.2710       21.69106 135.4890       28.79188 202.0482       32.98560 52.12663 5.737703 63.84346 5.326893 -11.71684      7.829242 
1 1 1 -9  9  32 o 157.7584 3.682649 1222.148       56.86684 1260.536       81.36031 1185.482       79.51513 159.8658 5.206315 155.0187 5.247907 4.847122       7.392310 
1 1 1 -9  9  33 o 57.27781 3.896287 162.0047       21.71453 144.9853       29.37278 182.5165       32.24587 53.89254 5.652134 60.56085 5.499625 -6.668308      7.886221 
1 1 1 -9  9  34 o 118.3247 3.337535 688.3615       38.61653 704.7187       54.39911 671.7457       54.82744 119.4656 4.660975 116.5984 4.814313 2.867210       6.700918 
1 1 1 -9  9  35 o 89.11284 3.365622 390.9441       29.30424 393.0751       40.47153 388.5956       42.48679 89.11793 4.655723 88.54945 4.921228 0.5684738      6.774529 
1 1 1 -9  9  36 o 34.95317 6.803212 63.02661       22.43820 71.87000       33.48586 55.82009       30.22838 36.90416 9.280520 32.66545 9.111429 4.238705       13.00562 
1 1 1 -9  9  37 o 61.27833 4.682491 186.9280       27.87329 187.7979       33.31911 184.9000       50.87464 61.19536 5.625377 59.63655 8.994803 1.558807       10.60902 
1 1 1 -9  9  38 o 29.08560 7.204102 44.31378       20.40224 45.84040       28.27622 42.65589       29.46686 29.70089 8.972201 28.93315 9.229008 0.7677422      12.87148 
1 1 1 -9  9  39 o 12.56065 5.957566 -23.12912      19.68554 -37.32935      27.09371 -7.250012      28.65061 14.12720 6.779253 18.29482 8.097406 -4.167628      10.56060 
1 1 1 -9  9  40 o 59.10339 4.268827 174.0526       24.52963 155.9552       33.99138 193.7185       35.43384 55.31212 6.396011 61.88201 5.922057 -6.569889      8.716634 
1 1 1 -9  9  41 o 27.84619 8.367850 40.62151       24.64207 7.618109       29.07901 124.7000       46.41333 20.79918 8.650649 47.82413 10.22473 -27.02495      13.39324 
1 1 1 -9  9  42 o 49.90436 4.856831 125.4064       23.42476 122.4241       32.70628 128.5475       33.56565 48.55220 7.091209 49.77284 7.089857 -1.220646      10.02753 
1 1 1 -9  9  43 o 26.08350 8.266908 35.27583       23.67499 47.10000       37.41795 27.38215       30.57273 30.28328 10.42569 25.01777 9.322773 5.265514       13.98603 
1 1 1 -9  9  44 o 18.43197 7.500990 8.535048       21.25002 17.01026       29.62746 -0.4440527     30.49548 22.50282 8.961354 19.65170 8.534151 2.851112       12.37488 
1 1 1 -9  9  45 o 68.98517 4.716649 240.0858       31.65737 256.1000       58.53276 233.4645       37.63717 68.76362 8.905222 67.53849 5.747795 1.225128       10.59906 
1 1 1 -9  9  46 o 40.12192 7.405423 86.67570       28.01176 49.13000       51.02726 102.8706       33.51287 31.12651 11.94250 43.38804 8.191246 -12.26153      14.48171 
1 1 1 -9  9  47 o 76.19855 3.925797 291.1402       29.18194 317.5073       42.11390 266.7867       40.47392 78.69228 5.502145 71.92354 5.798177 6.768745       7.993276 
1 1 1 -9  9  48 o 18.16121 7.850478 1.504247       25.56467 25.63121       32.42678 -38.12000      41.55593 24.32696 9.469748 18.25447 8.657503 6.072481       12.83076 
1 1 1 -9  9  49 o 34.69636 8.010026 67.05093       26.65291 57.91500       32.81861 84.75000       45.67926 31.69331 9.684974 37.25765 11.43384 -5.564335      14.98437 
1 1 1 -9  9  50 o 74.06889 3.969869 276.4074       28.67667 230.0131       38.88825 331.7053       42.45609 66.29470 6.059789 80.17783 5.442029 -13.88313      8.144735 
1 1 1 -9  9  51 o 52.46968 4.964790 141.7341       25.19528 140.3254       34.86247 143.2743       36.45378 50.88419 7.200465 51.22693 7.491539 -0.3427353     10.39085 
1 1 1 -9  9  52 o 14.62260 6.701974 -11.18316      21.69149 -7.579600      30.10392 -15.07448      31.28283 17.92218 8.088288 17.33580 7.983179 0.5863876      11.36449 
1 1 1 -9  9  53 o 36.10276 7.880571 73.88399       27.06522 61.24464       31.92225 106.2000       51.04344 31.99015 9.503050 40.07272 12.04360 -8.082563      15.34132 
1 1 1 -9  9  54 o 27.08889 7.969205 41.79646       22.53866 71.77618       31.41356 9.990299       32.35630 34.79016 9.116540 20.97623 8.945045 13.81393       12.77205 
1 1 1 -9  9  55 o 23.58858 8.494896 29.48059       25.04957 56.66000       42.21085 14.70545       31.12216 30.43810 11.01853 21.43471 8.934934 9.003389       14.18595 
1 1 1 -9  9  56 o 39.40944 6.327044 84.09576       23.58085 114.8573       34.30179 56.53151       32.47025 44.92327 8.098670 30.55831 9.681009 14.36497       12.62182 
1 1 1 -9  9  57 f 36.40878 6.928750 73.41184       23.79078 76.91908       33.86795 69.99537       33.42686 35.56451 9.534738 33.84919 9.630730 1.715321       13.55220 
1 1 1 -9  9  58 o 21.95889 8.611481 22.00165       26.97836 33.85983       32.44558 -4.564000      48.56315 25.16308 9.554842 22.19781 10.11832 2.965269       13.91673 
1 1 1 -9  9  59 o 22.47819 8.071240 26.95983       22.59428 34.04325       32.39380 20.24916       31.52997 25.06630 9.540344 22.26070 9.107431 2.805603       13.18952 
1 1 1 -9  9  60 o 46.47020 5.553843 115.2750       24.76279 147.7773       35.95041 85.93275       34.15806 51.15966 7.393271 37.24861 9.376593 13.91106       11.94073 
1 1 1 -9  9  61 o 23.78052 8.229856 32.48706       23.32745 68.07237       33.71613 -0.1896568     32.30885 32.50727 9.792370 18.93125 8.474734 13.57602       12.95035 
1 1 1 -9  10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  10 2  o 189.0531 5.663758 1752.472       104.6899 1561.000       138.9356 2004.000       159.2405 178.2440 7.983551 201.9954 8.070137 -23.75145      11.35184 
1 1 1 -9  10 3  o 284.1641 7.898257 3962.510       219.4751 3723.000       298.3450 4245.000       324.0104 275.0728 11.10346 293.7278 11.29061 -18.65500      15.83555 
1 1 1 -9  10 4  o 333.0976 6.401824 5437.102       208.7284 5207.799       287.1681 5693.932       303.9164 325.6721 9.017116 340.5311 9.126048 -14.85901      12.82938 
1 1 1 -9  10 5  o 597.4299 11.13923 17536.40       651.4006 17899.58       936.2014 17195.58       906.9348 602.1687 15.89736 590.2587 15.71136 11.91003       22.35113 
1 1 1 -9  10 6  o 547.0555 10.24499 14696.36       548.5918 15639.54       813.7136 13910.44       742.7813 563.1205 14.77540 531.1885 14.29885 31.93207       20.56137 
1 1 1 -9  10 7  o 336.0021 7.451421 5535.634       245.0684 5401.000       419.1911 5605.543       302.0667 331.0197 12.96261 337.8361 9.143028 -6.816345      15.86267 
1 1 1 -9  10 8  o 334.9155 7.431253 5500.376       243.6147 5433.000       420.2551 5534.476       298.9717 331.9515 12.95887 335.6658 9.107900 -3.714294      15.83939 
1 1 1 -9  10 9  o 455.9784 9.911572 10213.35       442.3775 10510.00       783.2292 10074.38       536.0725 460.4704 17.40860 452.2937 12.11960 8.176727       21.21188 
1 1 1 -9  10 10 o 127.8370 3.877879 801.0374       48.46793 709.4000       85.17627 844.9174       58.94075 120.0463 7.283022 131.2556 4.594750 -11.20930      8.611279 
1 1 1 -9  10 11 o 189.8984 4.709373 1766.611       87.53676 1668.000       150.1251 1817.410       107.7500 184.1431 8.350707 192.4798 5.725441 -8.336716      10.12497 
1 1 1 -9  10 12 o 217.5777 6.428101 2323.428       136.7498 2216.000       188.7949 2442.000       198.3453 212.1784 9.111633 222.7535 9.116117 -10.57507      12.88897 
1 1 1 -9  10 13 o 92.66931 3.750070 421.2786       33.94561 403.4000       62.81297 428.6544       40.34452 90.38918 7.157879 93.43587 4.423844 -3.046684      8.414608 
1 1 1 -9  10 14 f 152.3170 4.163848 1137.410       62.02143 1053.000       107.1678 1179.918       76.05161 146.2605 7.510828 155.0803 5.016691 -8.819839      9.032150 
1 1 1 -9  10 15 o 307.7216 6.912074 4647.949       208.1961 4626.000       360.3579 4658.947       255.0750 305.8520 12.06060 307.7443 8.475893 -1.892273      14.74106 
1 1 1 -9  10 16 o 129.7937 3.904704 826.0746       49.55117 727.7000       84.54240 877.5529       61.15681 121.5227 7.138847 133.7258 4.679433 -12.20309      8.535820 
1 1 1 -9  10 17 o 161.5876 4.289252 1280.494       67.78156 1141.000       113.4287 1357.973       84.53494 152.1760 7.639444 166.3299 5.198683 -14.15388      9.240531 
1 1 1 -9  10 18 o 209.8965 5.066674 2160.474       104.0961 1913.000       169.8724 2309.282       131.7262 196.9171 8.835695 216.8083 6.213530 -19.89124      10.80173 
1 1 1 -9  10 19 o 229.5577 5.425799 2585.318       121.9163 2383.000       202.5683 2700.225       152.6613 219.6549 9.443654 234.3662 6.661444 -14.71133      11.55671 
1 1 1 -9  10 20 f 176.2257 3.860818 1521.939       66.59704 1466.263       91.83184 1583.705       96.72330 172.7737 5.436887 179.5577 5.509791 -6.783966      7.740642 
1 1 1 -9  10 21 o 84.67072 4.119335 352.2636       34.03779 326.8000       43.81967 391.0000       54.04670 81.41014 5.531868 89.00008 6.243621 -7.589935      8.341724 
1 1 1 -9  10 22 o 300.5131 6.766699 4440.394       199.0428 4445.123       244.0466 4431.000       343.9926 300.2064 8.313136 298.5653 11.79394 1.641083       14.42932 
1 1 1 -9  10 23 o 139.7854 3.957648 958.6861       54.09633 1012.228       67.56942 863.1000       90.28181 143.5550 4.815494 132.2685 6.998194 11.28653       8.494923 
1 1 1 -9  10 24 o 174.0623 5.625315 1489.662       95.71657 1624.000       143.1369 1381.000       128.7332 181.3144 8.085502 167.2102 7.887650 14.10419       11.29559 
1 1 1 -9  10 25 o 166.6570 4.390328 1363.428       71.55637 1322.732       86.14510 1454.000       128.5145 164.0257 5.372777 171.5865 7.671184 -7.560822      9.365564 
1 1 1 -9  10 26 o 208.4765 6.135717 2139.411       125.0708 2101.000       172.4845 2182.000       181.6228 206.0319 8.571544 209.8927 8.860224 -3.860825      12.32781 
1 1 1 -9  10 27 o 179.9724 3.969014 1588.766       69.91894 1508.116       95.84738 1680.498       102.2207 175.0629 5.600659 184.7968 5.657830 -9.733902      7.961057 
1 1 1 -9  10 28 o 173.8877 3.903554 1483.369       66.44086 1471.511       93.69032 1495.365       94.23519 172.8947 5.543299 174.2942 5.530623 -1.399475      7.830451 
1 1 1 -9  10 29 o 141.9108 3.522208 987.7593       48.92567 936.7405       67.60691 1043.858       70.89266 137.9537 5.015045 145.6432 4.980172 -7.689453      7.067729 
1 1 1 -9  10 30 o 113.6324 3.297105 633.8431       36.63378 615.4387       50.75727 653.8546       52.92678 111.8030 4.648223 115.2374 4.702066 -3.434456      6.611763 
1 1 1 -9  10 31 o 177.6285 3.936141 1549.733       68.43678 1559.152       96.90819 1540.363       96.66072 177.7623 5.576376 176.6819 5.596286 1.080490       7.900278 
1 1 1 -9  10 32 o 144.3394 3.516001 1023.015       49.67524 980.1875       68.50706 1070.500       72.13613 140.9674 4.972688 147.3176 5.009846 -6.350204      7.058766 
1 1 1 -9  10 33 f 105.7111 3.315529 549.3491       34.26434 552.7631       47.91632 545.7766       49.01661 105.8159 4.637483 105.1162 4.776432 0.6996841      6.657367 
1 1 1 -9  10 34 o 54.88352 4.020521 149.0824       21.44898 134.4081       28.70490 167.6337       32.27486 51.78115 5.760827 57.89320 5.772336 -6.112053      8.155181 
1 1 1 -9  10 35 f 31.26283 6.518922 50.44294       19.30148 53.46498       25.53027 46.41120       29.48843 31.99670 8.134931 30.12729 9.175349 1.869410       12.26231 
1 1 1 -9  10 36 o 79.51514 3.496483 311.8614       27.14716 314.3159       37.10561 309.0344       39.82191 79.55986 4.786882 78.78606 5.192717 0.7738037      7.062475 
1 1 1 -9  10 37 o 68.31557 4.166224 231.4729       27.72672 227.6000       42.10884 234.4372       36.84021 67.11207 6.491053 68.40713 5.549542 -1.295059      8.539975 
1 1 1 -9  10 38 o 105.7496 3.950597 553.3488       40.82099 572.0490       50.11985 516.5000       70.35567 107.2524 4.786211 100.9054 7.169961 6.347031       8.620682 
1 1 1 -9  10 39 o 30.79852 7.112835 49.83926       21.01007 43.58145       28.33897 57.47692       31.30783 28.98936 9.024738 32.82779 9.313921 -3.838434      12.96900 
1 1 1 -9  10 40 o 75.54742 4.255782 283.9541       31.34336 275.3435       37.39209 304.3000       57.47816 74.09680 5.188327 76.81570 7.750326 -2.718903      9.326644 
1 1 1 -9  10 41 o 18.96884 7.431005 11.78677       20.07087 14.06050       27.18968 9.064284       29.75208 21.50733 8.578205 21.23377 8.783541 0.2735558      12.27747 
1 1 1 -9  10 42 o 54.43821 4.910954 149.2043       25.88725 119.9000       39.92908 170.4537       34.00137 47.22722 8.965371 57.79576 6.102295 -10.56854      10.84509 
1 1 1 -9  10 43 o 23.33681 7.755448 27.27658       20.69775 39.71122       28.68361 13.76843       29.89611 27.67340 9.127341 22.00121 8.917825 5.672190       12.76072 
1 1 1 -9  10 44 o 56.48685 4.351922 160.3017       23.87678 155.9793       33.16167 164.9547       34.40644 54.96354 6.276267 56.51581 6.328144 -1.552269      8.912739 
1 1 1 -9  10 45 f 29.91724 7.372502 48.50183       21.44803 66.44138       29.58198 28.61990       31.14232 34.58754 8.736604 25.02062 9.391809 9.566919       12.82709 
1 1 1 -9  10 46 o 57.28955 5.475338 168.5184       30.33072 164.3000       56.57266 170.2201       35.93130 52.85201 11.27920 57.01691 6.557433 -4.164898      13.04685 
1 1 1 -9  10 47 o 51.78230 5.998839 139.7005       29.84387 94.68000       55.90082 157.6474       35.29457 38.95000 12.73643 54.62606 6.743925 -15.67606      14.41171 
1 1 1 -9  10 48 o 56.29521 7.009106 168.8834       37.78831 149.4000       54.59653 186.8000       52.35539 49.67675 11.46125 57.26863 9.684731 -7.591885      15.00514 
1 1 1 -9  10 49 o 37.59821 7.443755 77.42435       26.42493 43.21815       31.55660 157.7000       48.34257 27.98760 9.576399 52.31040 9.801441 -24.32280      13.70313 
1 1 1 -9  10 50 o 63.07190 4.927413 203.9255       30.17887 183.8618       36.74635 245.5000       52.89600 58.91596 6.478784 66.65285 8.286089 -7.736893      10.51827 
1 1 1 -9  10 51 o 20.05667 8.108471 13.71669       24.64281 6.064094       30.73554 27.49000       41.23400 20.16330 8.660800 25.65045 10.44499 -5.487154      13.56861 
1 1 1 -9  10 52 o 61.34924 5.145488 195.0257       30.61440 226.0367       37.26095 130.6000       53.70634 65.54139 5.870168 44.73590 12.01264 20.80549       13.37021 
1 1 1 -9  10 53 o 65.92007 4.273880 221.5338       27.42830 257.0793       39.19512 187.4225       38.39616 69.90687 5.779638 58.85955 6.788687 11.04731       8.915744 
1 1 1 -9  10 54 o 30.49669 8.440316 54.05030       26.05032 49.27000       45.05133 56.45148       31.92953 29.27392 11.22403 30.70002 9.582845 -1.426098      14.75838 
1 1 1 -9  10 55 o 57.81690 4.593066 171.8992       25.77996 179.4758       37.78395 165.2999       35.26317 57.45707 6.853218 55.27686 6.650817 2.180202       9.549867 
1 1 1 -9  10 56 o 48.38663 5.378250 123.0042       25.04268 131.6073       36.25346 115.1527       34.63347 48.24442 7.954031 44.89978 8.181699 3.344635       11.41082 
1 1 1 -9  10 57 o 25.35219 8.211590 36.61745       23.26608 38.87924       34.00064 34.62580       31.90560 26.37344 9.830836 25.31355 9.505269 1.059895       13.67463 
1 1 1 -9  10 58 o 22.93206 8.081820 28.33953       22.55536 23.23469       32.54508 33.05770       31.28823 23.07813 9.322482 24.88282 9.397780 -1.804684      13.23733 
1 1 1 -9  10 59 o 24.56589 8.191781 34.44588       23.08818 44.26107       33.75257 25.81447       31.65181 27.27418 9.855693 23.28177 9.265434 3.992407       13.52712 
1 1 1 -9  10 60 o 17.80890 7.529920 7.642963       22.59722 -1.859250      32.77940 16.24829       31.19409 18.89833 8.492071 21.27464 8.912267 -2.376308      12.31031 
1 1 1 -9  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  11 2  o 366.1432 8.061007 6575.256       288.8993 6519.135       352.0396 6691.000       505.5641 364.2478 9.883026 368.2836 14.05027 -4.035828      17.17802 
1 1 1 -9  11 3  o 355.3996 9.636263 6205.505       334.9121 6133.000       470.4642 6280.000       476.8754 352.6349 13.65579 356.8376 13.67833 -4.202728      19.32814 
1 1 1 -9  11 4  o 320.3336 6.179288 5028.626       193.7525 4890.378       268.9772 5177.723       279.3307 315.5762 8.716080 324.7119 8.796593 -9.135712      12.38346 
1 1 1 -9  11 5  o 297.0950 6.668197 4326.623       193.9143 4169.990       232.2632 4687.000       352.3049 291.4418 8.149840 308.5013 11.68804 -17.05948      14.24887 
1 1 1 -9  11 6  o 188.1781 4.025991 1734.097       74.15631 1617.339       101.5376 1867.563       108.5600 181.5878 5.719734 195.1450 5.689448 -13.55717      8.067538 
1 1 1 -9  11 7  f 180.6073 4.474646 1597.657       79.10434 1649.000       138.2206 1572.649       96.46391 183.1843 7.725993 179.0681 5.510076 4.116257       9.489568 
1 1 1 -9  11 8  o 275.3535 6.258177 3716.673       168.6726 3564.000       286.6011 3797.575       208.6301 268.9819 10.90813 278.1172 7.671101 -9.135376      13.33541 
1 1 1 -9  11 9  o 499.5476 10.82964 12275.78       529.5377 12130.00       910.5627 12350.28       650.9290 493.6711 18.87848 500.2396 13.30562 -6.568451      23.09624 
1 1 1 -9  11 10 f 281.0427 6.374011 3872.931       175.3441 3740.000       299.0558 3942.570       216.4541 275.4282 11.11554 283.3174 7.812702 -7.889160      13.58652 
1 1 1 -9  11 11 o 440.3453 11.82408 9562.626       509.1830 9236.000       703.0329 9923.000       738.4595 431.1285 16.69106 446.8069 16.91553 -15.67841      23.76398 
1 1 1 -9  11 12 o 78.31683 3.870561 301.1549       29.57928 315.5000       58.64729 296.2609       34.25534 79.80968 7.598938 77.62954 4.527768 2.180138       8.845594 
1 1 1 -9  11 13 o 238.2168 5.560576 2782.263       129.6577 2772.000       226.2388 2787.282       158.2186 237.1378 9.767664 238.2310 6.791985 -1.093109      11.89699 
1 1 1 -9  11 14 o 157.8082 4.228683 1221.054       65.26034 1028.000       107.1780 1334.802       82.26962 144.4691 7.606015 164.9332 5.102087 -20.46407      9.158753 
1 1 1 -9  11 15 o 123.2369 3.817953 744.7419       45.99951 623.9000       78.38604 808.2150       56.81000 112.4846 7.156443 128.3369 4.529480 -15.85229      8.469408 
1 1 1 -9  11 16 o 148.3568 4.111153 1079.353       59.64286 913.5000       98.52565 1175.285       74.93230 136.1451 7.421412 154.7463 4.953387 -18.60126      8.922634 
1 1 1 -9  11 17 o 131.3663 3.945288 846.3710       50.67297 737.3000       87.06890 902.2365       62.31320 122.2695 7.308448 135.5777 4.702660 -13.30820      8.690709 
1 1 1 -9  11 18 o 68.13631 4.209918 228.4108       27.94038 194.3000       51.98185 242.2697       33.13369 62.20956 8.780551 70.12217 4.857364 -7.912613      10.03454 
1 1 1 -9  11 19 o 122.1479 3.881663 731.9353       46.35093 666.6000       81.74024 762.9005       56.27282 116.2133 7.221463 124.6474 4.620206 -8.434158      8.572971 
1 1 1 -9  11 20 o 150.4855 4.170525 1111.010       61.37235 1041.000       106.2096 1146.105       75.19749 145.2643 7.494965 152.7619 5.035890 -7.497528      9.029655 
1 1 1 -9  11 21 o 185.3993 4.603836 1685.874       83.54763 1734.896       104.0693 1597.000       140.1245 187.8874 5.665200 179.8870 7.977921 8.000412       9.784769 
1 1 1 -9  11 22 o 103.8296 3.576254 528.9612       36.29166 519.6763       43.66643 549.7000       65.26028 102.8503 4.347270 105.5654 6.344982 -2.715111      7.691394 
1 1 1 -9  11 23 o 287.8493 5.648942 4069.714       159.1616 3906.484       219.0030 4252.438       231.7113 281.4120 7.958618 293.5853 8.070842 -12.17331      11.33482 
1 1 1 -9  11 24 o 115.2560 4.669253 652.8773       52.56747 0.000000       0.000000 652.8773       52.56747 ?        ?        115.2560 4.669253 ?              ?        
1 1 1 -9  11 25 o 86.91767 4.220051 371.4470       35.79581 336.4000       44.70010 434.1000       59.76597 82.55811 5.563991 93.69633 6.558070 -11.13823      8.600365 
1 1 1 -9  11 26 f 152.8388 4.161980 1146.875       62.20643 1099.630       74.36232 1257.000       113.5323 149.5376 5.087791 159.5054 7.291009 -9.967819      8.890694 
1 1 1 -9  11 27 o 149.2213 4.107489 1093.360       59.93771 1044.232       71.45398 1210.000       110.0999 145.7092 5.017435 156.4655 7.208258 -10.75635      8.782576 
1 1 1 -9  11 28 o 288.4196 6.577315 4101.079       185.6862 3923.259       220.5483 4534.000       344.1266 281.4922 8.012598 300.6818 11.71485 -19.18964      14.19293 
1 1 1 -9  11 29 o 81.49873 3.263512 326.2468       25.98144 328.2768       35.55670 323.9213       38.05724 81.62435 4.467396 81.03468 4.819772 0.5896683      6.571744 
1 1 1 -9  11 30 o 152.3395 3.606688 1139.013       53.78078 1120.686       75.02289 1158.388       77.13617 150.8138 5.089431 153.3207 5.147153 -2.506958      7.238473 
1 1 1 -9  11 31 o 75.83492 3.358411 282.8138       24.86741 294.1657       34.07615 269.8809       36.37165 77.19611 4.529616 73.84875 5.062307 3.347366       6.792965 
1 1 1 -9  11 32 o 121.3529 3.307703 723.5948       39.25343 701.7012       54.19981 747.7461       56.92592 119.2705 4.651487 123.1104 4.732805 -3.839905      6.635946 
1 1 1 -9  11 33 o 61.05086 5.095703 185.2958       30.17358 185.2958       30.17358 0.000000       0.000000 61.05086 5.095703 ?        ?        ?              ?        
1 1 1 -9  11 34 o 33.35418 6.691808 57.31213       21.08687 27.02850       24.11763 155.6000       43.44908 24.22795 8.368877 55.06362 8.320679 -30.83567      11.80135 
1 1 1 -9  11 35 o 164.6411 3.797693 1335.386       61.20182 1327.106       85.69563 1344.006       87.43549 163.5148 5.361459 164.5211 5.436969 -1.006348      7.635828 
1 1 1 -9  11 36 f 93.78744 3.349078 433.5611       30.69576 396.4195       41.21661 479.8165       45.99636 89.35712 4.729182 98.31233 4.794251 -8.955208      6.734241 
1 1 1 -9  11 37 o 28.94387 6.913616 43.79418       19.31740 27.22333       24.77198 69.50684       30.85758 24.23697 8.475227 36.17134 8.800538 -11.93437      12.21798 
1 1 1 -9  11 38 o 29.08923 7.766182 44.53849       22.52727 70.93000       31.66465 17.49113       32.05568 36.44156 8.944614 23.55085 9.339931 12.89071       12.93215 
1 1 1 -9  11 39 o 69.92010 4.377612 243.4520       29.80993 236.0570       35.72630 260.4000       54.08544 68.55013 5.367200 70.98924 7.918280 -2.439117      9.565877 
1 1 1 -9  11 40 o 44.46124 5.225732 100.0374       22.30862 76.09418       29.88482 130.1717       33.52663 37.77522 8.308674 50.20580 7.013398 -12.43058      10.87298 
1 1 1 -9  11 41 o 28.22408 7.911654 42.25865       22.73155 19.62000       34.06335 60.43474       30.52195 24.22283 9.621032 33.42702 9.090356 -9.204189      13.23627 
1 1 1 -9  11 42 o 36.20314 6.304718 68.15160       21.53043 46.86383       29.14383 93.72980       31.94600 29.66933 9.137893 41.94194 8.074450 -12.27261      12.19417 
1 1 1 -9  11 43 o 13.37383 6.197898 -14.91126      19.29642 -16.56665      26.13846 -12.92846      28.60681 15.90472 7.314389 17.25740 7.826894 -1.352687      10.71264 
1 1 1 -9  11 44 o 15.34377 6.744498 -3.265731      19.55482 -4.602171      26.71436 -1.723036      28.70185 17.73320 7.835307 18.82073 8.224600 -1.087530      11.35940 
1 1 1 -9  11 45 o 48.01775 4.940359 117.6043       22.88928 102.1934       31.44964 134.9620       33.37693 43.52476 7.661678 50.54607 6.928220 -7.021309      10.32964 
1 1 1 -9  11 46 o 30.35640 7.591997 50.53297       22.49849 54.97762       31.67387 46.00669       31.96344 31.20325 9.510517 28.94774 9.638161 2.255518       13.54046 
1 1 1 -9  11 47 o 31.92098 8.397349 57.10851       26.58530 33.97909       32.46412 104.2000       46.32255 26.08908 9.628180 41.62259 11.14738 -15.53351      14.72976 
1 1 1 -9  11 48 o 62.84052 5.110705 202.3871       31.16481 190.2000       54.56153 208.2886       37.96788 57.42773 10.07357 63.08104 6.230366 -5.653305      11.84459 
1 1 1 -9  11 49 o 25.63112 8.829312 35.25218       26.83773 84.27000       47.87463 12.78899       32.40889 36.77156 11.76729 21.77548 9.100429 14.99608       14.87572 
1 1 1 -9  11 50 o 47.48254 5.373582 117.2538       24.53649 78.76914       34.56956 156.3241       34.83158 36.56873 9.554251 54.06020 6.727635 -17.49147      11.68524 
1 1 1 -9  11 51 o 41.06137 8.518286 96.17972       33.11332 96.17972       33.11332 0.000000       0.000000 41.06137 8.518286 ?        ?        ?              ?        
1 1 1 -9  11 52 o 18.74455 7.915208 7.448068       24.91564 -4.896188      31.43714 28.30000       40.85862 18.59243 8.338544 25.44475 10.38374 -6.852322      13.31741 
1 1 1 -9  11 53 o 65.22793 5.836936 224.4169       36.87356 226.8000       53.76126 222.3000       50.67009 62.62987 9.030191 62.52994 8.498353 0.9992981E-01  12.40026 
1 1 1 -9  11 54 o 71.47901 4.033249 259.4611       28.10440 292.7522       41.79356 231.9798       37.97196 74.56060 5.771462 66.20947 5.921629 8.351128       8.268946 
1 1 1 -9  11 55 o 17.03086 7.326142 3.231086       22.05418 26.44661       32.61782 -16.32047      29.93343 23.80612 9.427747 16.64077 7.714511 7.165352       12.18179 
1 1 1 -9  11 56 o 29.44798 7.849733 49.90398       23.03690 59.64762       33.72993 41.38527       31.53854 31.20426 9.864672 26.85448 9.547877 4.349775       13.72857 
1 1 1 -9  11 57 o 33.69191 7.323119 64.17352       23.45972 70.62082       34.06193 58.35522       32.35775 33.78916 9.756315 30.85753 9.649133 2.931629       13.72193 
1 1 1 -9  11 58 o 20.07063 7.867244 17.39380       22.50768 20.55258       32.55305 14.50063       31.15434 22.53664 9.240998 21.22491 8.900018 1.311733       12.82990 
1 1 1 -9  11 59 o 31.48845 7.609534 57.40103       23.19069 65.90962       34.03589 50.02793       31.68351 32.27459 9.863019 28.53274 9.597418 3.741850       13.76189 
1 1 1 -9  11 60 o 37.25911 8.054357 81.88023       28.51689 62.95722       35.13668 118.4000       48.81233 31.13764 10.09173 41.20860 11.60857 -10.07096      15.38187 
1 1 1 -9  12 1  o 349.1601 7.723731 5980.202       263.9720 6049.993       326.2928 5848.000       449.0819 350.8581 9.509782 344.2469 13.35284 6.611176       16.39312 
1 1 1 -9  12 2  o 412.3842 9.017050 8349.145       363.9760 8179.221       439.7085 8719.000       648.7143 407.7030 11.02843 419.7680 15.81669 -12.06500      19.28196 
1 1 1 -9  12 3  o 683.2134 14.72264 23039.57       984.5735 23734.13       1231.651 21810.00       1638.748 691.6599 18.20819 658.7612 25.46222 32.89862       31.30277 
1 1 1 -9  12 4  o 227.9497 6.621982 2549.679       147.5953 2291.000       196.3152 2886.000       223.8468 215.7826 9.316566 242.2151 9.459742 -26.43251      13.27724 
1 1 1 -9  12 5  o 159.2817 3.622199 1242.354       56.47347 1219.239       80.33117 1264.942       79.40794 157.6610 5.212560 160.6022 5.057641 -2.941208      7.262954 
1 1 1 -9  12 6  o 498.3656 9.355153 12201.67       456.3574 12525.25       659.1439 11903.75       632.4568 503.7619 13.37930 491.1609 13.16718 12.60101       18.77179 
1 1 1 -9  12 7  o 301.2014 5.864240 4446.975       172.8920 4260.621       238.9925 4651.576       250.4201 294.4779 8.299627 307.6991 8.322153 -13.22119      11.75338 
1 1 1 -9  12 8  f 385.2514 7.321552 7282.292       276.0919 7423.748       396.5313 7149.190       384.6456 388.3281 10.44159 381.1000 10.32085 7.228027       14.68151 
1 1 1 -9  12 9  o 313.7571 8.651924 4839.659       265.4592 4609.000       363.9047 5102.000       388.0935 305.5042 12.19376 321.4139 12.35878 -15.90976      17.36166 
1 1 1 -9  12 10 o 83.43384 3.718141 341.6162       30.28879 255.4000       56.99384 375.5500       35.75603 71.63768 8.280171 87.45763 4.188995 -15.81995      9.279490 
1 1 1 -9  12 11 o 199.2507 4.854344 1945.617       94.67530 1815.000       160.7645 2014.969       117.1433 191.9851 8.576583 202.6195 5.912818 -10.63448      10.41725 
1 1 1 -9  12 12 o 288.6033 6.522887 4087.026       184.2669 4060.000       319.5701 4100.487       225.5353 286.6607 11.41197 288.7823 7.986472 -2.121643      13.92899 
1 1 1 -9  12 13 o 174.4648 4.448217 1492.581       75.90067 1336.000       126.6905 1580.247       94.79622 164.6985 7.881525 179.4371 5.403408 -14.73853      9.555902 
1 1 1 -9  12 14 o 126.7944 3.846035 788.3674       47.67790 651.9000       80.97890 860.7731       58.98532 114.9751 7.232152 132.4439 4.556730 -17.46877      8.547971 
1 1 1 -9  12 15 o 157.3056 4.213153 1213.543       64.81367 1150.000       112.4394 1245.163       79.31721 152.7783 7.542148 159.2687 5.094362 -6.490402      9.101457 
1 1 1 -9  12 16 o 229.3808 5.416723 2581.078       121.6186 2326.000       200.3129 2730.002       153.0578 217.0353 9.451808 235.6751 6.641538 -18.63985      11.55191 
1 1 1 -9  12 17 o 73.48627 3.955158 265.4057       28.34478 310.7000       56.05232 249.8437       32.85518 79.16623 7.316216 71.22510 4.739609 7.941132       8.717278 
1 1 1 -9  12 18 o 140.8870 4.064085 973.7106       55.98683 783.6000       92.33231 1084.253       70.40699 125.9899 7.521305 148.6053 4.846815 -22.61546      8.947718 
1 1 1 -9  12 19 o 306.0815 6.901265 4606.101       206.7626 4402.000       349.3667 4716.124       256.5072 297.6168 12.01744 309.2424 8.482126 -11.62561      14.70936 
1 1 1 -9  12 20 o 191.1901 5.879394 1796.961       109.8975 1863.000       162.2654 1741.000       149.3711 194.1980 8.557415 187.8022 8.145047 6.395767       11.81402 
1 1 1 -9  12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  12 22 o 254.6171 5.914790 3185.341       147.4121 3076.000       252.0888 3242.158       181.7200 248.9934 10.36598 256.5265 7.244351 -7.533127      12.64651 
1 1 1 -9  12 23 o 116.9431 3.619934 670.9794       41.38646 580.8000       62.23246 742.4888       55.41717 108.5591 5.878515 122.9306 4.613701 -14.37149      7.472829 
1 1 1 -9  12 24 o 249.2914 7.127065 3063.551       173.7314 0.000000       0.000000 3063.551       173.7314 ?        ?        249.2914 7.127065 ?              ?        
1 1 1 -9  12 25 o 208.7884 5.096600 2141.161       104.1581 2096.000       181.6666 2163.276       127.1287 205.5907 9.049630 209.5928 6.203536 -4.002121      10.97177 
1 1 1 -9  12 26 o 265.7639 5.293010 3471.035       137.6908 3365.097       190.7350 3586.323       198.9747 261.0399 7.472473 269.4652 7.551223 -8.425232      10.62350 
1 1 1 -9  12 27 o 211.0208 5.106027 2188.771       105.4665 2137.658       127.0604 2302.000       189.1137 208.2296 6.240967 215.2579 8.995301 -7.028351      10.94829 
1 1 1 -9  12 28 f 107.5853 3.677579 568.5447       38.67072 569.8600       46.51193 565.6000       69.59523 107.6225 4.424685 106.8594 6.687183 0.7630844      8.018495 
1 1 1 -9  12 29 o 172.0648 4.452093 1455.931       74.91993 1397.599       89.45229 1593.000       137.1218 168.3823 5.434479 179.1026 7.840651 -10.72026      9.539883 
1 1 1 -9  12 30 o 75.20716 3.729369 278.4281       27.36805 258.7188       32.13272 330.5000       52.22927 72.38335 4.558413 81.48745 6.604691 -9.104103      8.025028 
1 1 1 -9  12 31 o 78.69311 3.209379 304.4449       24.66901 292.8521       33.24324 318.6528       36.80207 77.01936 4.428246 80.30820 4.702302 -3.288834      6.459181 
1 1 1 -9  12 32 o 71.96606 3.330006 254.9302       23.39376 255.1695       31.30463 254.6275       35.20540 71.83524 4.474314 71.65799 5.051618 0.1772461      6.748209 
1 1 1 -9  12 33 o 69.05509 3.989866 235.5628       26.85389 212.3829       31.30722 300.1000       52.23877 65.39368 4.927299 77.29646 6.979537 -11.90277      8.543549 
1 1 1 -9  12 34 o 94.58305 3.813146 441.3141       35.22993 487.2372       43.51076 353.9000       60.03050 99.24146 4.490804 83.73589 7.400187 15.50557       8.656217 
1 1 1 -9  12 35 o 45.98772 4.426075 105.4410       19.67777 97.37487       25.45216 117.4263       31.02526 43.80823 6.100866 47.99776 6.793352 -4.189537      9.130728 
1 1 1 -9  12 36 o 28.60175 6.758363 42.66985       18.61864 47.62309       24.00693 35.19393       29.49335 30.11306 8.007050 27.05340 9.258007 3.059664       12.24024 
1 1 1 -9  12 37 f 26.32279 7.713624 35.89491       21.15137 30.20529       24.65200 51.77000       41.17832 24.99868 8.465690 32.12646 10.94056 -7.127779      13.83343 
1 1 1 -9  12 38 o 134.1473 4.076169 891.6099       53.46090 894.4554       65.25233 885.8000       93.23938 133.9575 4.985183 131.9876 7.244843 1.969925       8.794305 
1 1 1 -9  12 39 o 60.44248 4.404047 182.3109       25.87678 156.6000       37.40266 205.9157       35.83805 55.13646 7.094632 63.82203 5.800056 -8.685570      9.163757 
1 1 1 -9  12 40 o 40.57120 6.929235 85.68816       26.53023 78.51000       33.12064 98.54000       44.31747 38.13444 9.016066 42.20567 10.71125 -4.071228      14.00072 
1 1 1 -9  12 41 o 23.07649 7.677474 26.40423       20.28239 43.17666       27.55171 6.561405       29.96761 28.62401 8.896513 20.78242 8.722597 7.841589       12.45920 
1 1 1 -9  12 42 o 37.23155 6.104330 71.88985       21.47591 67.19183       29.06169 77.54186       31.87609 35.18756 8.527874 37.74485 8.791997 -2.557285      12.24842 
1 1 1 -9  12 43 o 16.39258 6.997964 1.415544       19.84135 -11.95888      26.92200 17.31705       29.35546 16.77063 7.600867 22.45765 8.927716 -5.687019      11.72507 
1 1 1 -9  12 44 o 30.49462 7.094127 50.08636       20.77498 62.33938       28.42934 36.04491       30.43345 33.55848 8.612350 26.63108 9.387520 6.927406       12.73963 
1 1 1 -9  12 45 o 26.30608 7.694293 37.56062       21.06258 38.32871       28.68784 36.66238       31.02298 26.87852 9.132093 26.68406 9.471314 0.1944580      13.15678 
1 1 1 -9  12 46 o 29.56724 8.243935 48.58841       24.75168 31.14817       30.34785 83.24000       42.77729 25.23787 9.309948 37.39547 10.97284 -12.15760      14.39022 
1 1 1 -9  12 47 o 60.18686 4.331498 183.2949       25.34730 179.6149       35.23870 187.2401       36.48686 58.56685 6.243114 59.75145 6.334921 -1.184601      8.894250 
1 1 1 -9  12 48 o 50.55824 4.960589 131.1713       24.23319 101.0065       32.97246 166.6042       35.73591 42.63849 8.198001 56.07022 6.640002 -13.43173      10.54973 
1 1 1 -9  12 49 o 26.74275 7.894989 39.78556       22.08848 38.03680       30.73858 41.65273       31.76223 26.58517 9.428633 27.50589 9.598266 -0.9207249     13.45458 
1 1 1 -9  12 50 o 40.80499 8.804440 95.42686       34.13241 111.1000       48.94598 80.59000       47.62227 41.99037 11.54924 35.74868 11.75926 6.241692       16.48227 
1 1 1 -9  12 51 o 28.01993 8.594313 45.03799       25.81251 69.09000       46.46461 34.30188       31.04346 33.18561 11.60712 25.49605 9.414121 7.689558       14.94493 
1 1 1 -9  12 52 o 42.57922 8.312846 103.5659       33.40235 0.000000       0.000000 103.5659       33.40235 ?        ?        42.57922 8.312846 ?              ?        
1 1 1 -9  12 53 o 21.04350 8.319140 18.43000       25.35687 41.81783       32.60215 -17.38000      40.34164 27.14455 9.701412 19.39217 8.978126 7.752380       13.21833 
1 1 1 -9  12 54 o 22.67771 8.487905 25.75495       25.39796 16.65934       32.90008 39.17000       39.95554 22.09069 9.195754 26.99205 10.51046 -4.901361      13.96537 
1 1 1 -9  12 55 o 49.66281 5.851362 131.1370       27.89892 147.7675       35.87799 105.7000       44.37184 51.67747 7.295565 40.63657 10.92200 11.04090       13.13451 
1 1 1 -9  12 56 f 36.57373 6.751407 73.72866       23.27944 84.63242       33.95861 64.06149       31.97506 37.48616 9.299821 32.44824 9.477264 5.037926       13.27800 
1 1 1 -9  12 57 o 26.20278 8.038445 39.60204       22.58015 73.05791       33.23228 10.91023       30.77536 34.49192 9.528061 20.56514 8.745188 13.92678       12.93299 
1 1 1 -9  12 58 o 57.21218 4.560615 169.1730       25.32858 212.9195       37.42634 132.2061       34.40422 62.90905 6.156696 48.43426 7.499087 14.47480       9.702640 
1 1 1 -9  12 59 f 31.22873 7.768941 57.04423       23.65048 82.12013       34.37967 34.51655       32.58604 36.20010 9.561796 24.96309 9.552131 11.23701       13.51559 
1 1 1 -9  12 60 o 14.57199 6.696348 -9.960204      21.84972 18.58039       32.72718 -32.91208      29.34851 21.85216 9.139639 14.53440 6.995521 7.317754       11.50957 
1 1 1 -9  13 1  o 405.1659 10.91913 8083.413       432.6442 9118.000       666.2414 7329.000       568.9216 428.8932 15.89748 384.6926 15.13844 44.20062       21.95228 
1 1 1 -9  13 2  o 260.5798 7.307521 3333.920       186.2036 3446.000       270.5135 3233.000       256.6930 264.4844 10.46988 256.2011 10.25665 8.283234       14.65664 
1 1 1 -9  13 3  o 496.7176 13.25308 12182.06       643.7901 12340.00       919.2117 12030.00       901.9473 497.6835 18.90368 491.4382 18.78479 6.245270       26.64990 
1 1 1 -9  13 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  13 5  o 169.8569 4.376341 1414.279       72.70074 1399.234       88.73420 1445.000       126.7994 168.8818 5.374712 171.4234 7.575564 -2.541550      9.288525 
1 1 1 -9  13 6  f 214.9936 4.428382 2264.414       93.19160 2160.026       129.1149 2377.936       134.6446 209.7801 6.295026 220.1204 6.255515 -10.34026      8.874617 
1 1 1 -9  13 7  o 164.7632 3.694656 1329.557       59.58549 1251.770       82.65755 1413.710       85.97343 159.7234 5.294297 169.7604 5.180004 -10.03696      7.406890 
1 1 1 -9  13 8  o 434.8800 9.525426 9301.889       405.4712 9649.443       510.3522 8707.000       667.6915 442.1910 11.80164 418.4347 16.33341 23.75626       20.15091 
1 1 1 -9  13 9  o 191.4246 4.725125 1795.697       88.53546 1593.000       147.0079 1911.059       110.9039 179.8564 8.373404 197.3335 5.747818 -17.47704      10.15634 
1 1 1 -9  13 10 o 128.2835 3.834939 806.8582       48.10028 680.4000       83.09065 870.5950       58.98935 117.4960 7.260213 133.2128 4.530580 -15.71684      8.557854 
1 1 1 -9  13 11 o 20.92327 7.209663 19.44833       17.89504 -52.80000      43.20320 34.41083       19.66093 18.62131 8.830297 26.12812 7.369897 -7.506813      11.50172 
1 1 1 -9  13 12 o 144.3318 4.011809 1021.461       56.62226 845.1000       93.76573 1122.684       71.03682 130.9568 7.344351 151.2599 4.804016 -20.30310      8.775993 
1 1 1 -9  13 13 o 142.2970 3.983162 992.9230       55.42458 947.7000       97.70010 1014.383       67.30237 138.7017 7.221130 143.7657 4.789337 -5.064056      8.665014 
1 1 1 -9  13 14 o 192.9453 4.762948 1825.190       89.95312 1614.000       148.5545 1947.453       113.0308 180.9111 8.412115 199.1342 5.805086 -18.22313      10.22070 
1 1 1 -9  13 15 o 142.0053 4.041033 989.0389       56.11271 844.2000       95.49225 1065.427       69.34855 130.8261 7.488337 147.3272 4.815397 -16.50107      8.902990 
1 1 1 -9  13 16 o 246.8689 5.742970 2991.220       138.7743 2748.000       230.3174 3129.850       173.8825 235.7307 10.00445 252.2456 7.049401 -16.51491      12.23859 
1 1 1 -9  13 17 o 10.62378 5.262647 -48.27729      20.51412 -34.79000      44.48804 -51.91949      23.11867 20.61199 9.502071 11.45782 5.659556 9.154171       11.05983 
1 1 1 -9  13 18 o 73.86208 4.164106 268.3014       29.98383 185.2000       56.28501 301.2285       35.42952 60.47436 9.847063 78.23367 4.647582 -17.75931      10.88874 
1 1 1 -9  13 19 o 222.0996 6.520351 2426.812       141.5972 2338.000       198.9402 2518.000       201.5832 217.3902 9.371253 225.6750 9.144606 -8.284775      13.09367 
1 1 1 -9  13 20 o 163.3944 4.380527 1310.263       69.99673 1264.000       123.1732 1332.329       85.06767 159.9804 7.890147 164.6619 5.284793 -4.681488      9.496497 
1 1 1 -9  13 21 f 173.7720 4.531725 1482.299       77.01561 1485.000       137.6817 1481.069       92.91134 173.3566 8.136600 173.5807 5.475259 -0.2240448     9.807280 
1 1 1 -9  13 22 o 191.5184 5.836435 1804.013       109.2842 0.000000       0.000000 1804.013       109.2842 ?        ?        191.5184 5.836435 ?              ?        
1 1 1 -9  13 23 o 152.8457 5.109241 1148.406       76.33173 0.000000       0.000000 1148.406       76.33173 ?        ?        152.8457 5.109241 ?              ?        
1 1 1 -9  13 24 o 200.0564 4.951106 1965.366       96.95289 1975.000       171.8878 1960.871       117.4130 199.6304 8.818304 199.5783 6.017179 0.5210876E-01  10.67562 
1 1 1 -9  13 25 o 86.29787 4.071127 366.1736       34.29216 323.7000       65.49183 382.2171       40.25100 80.48119 8.438899 88.10773 4.684031 -7.626541      9.651692 
1 1 1 -9  13 26 o 217.5626 4.507595 2324.246       95.99206 2166.424       129.8356 2514.521       142.5617 209.6151 6.335248 225.8106 6.456518 -16.19553      9.045551 
1 1 1 -9  13 27 o 134.2441 3.382658 884.3753       44.41335 826.2523       60.25674 953.5114       65.71793 129.5818 4.758759 139.2050 4.830383 -9.623184      6.780736 
1 1 1 -9  13 28 o 120.4348 3.292086 711.9651       38.77234 625.5470       51.43303 825.7171       59.00912 112.7101 4.672139 129.5218 4.662073 -16.81168      6.600288 
1 1 1 -9  13 29 f 83.86348 3.648736 345.9292       29.88003 326.5916       34.97305 398.2000       57.49919 81.38661 4.406533 89.50813 6.609482 -8.121521      7.943726 
1 1 1 -9  13 30 o 106.9273 3.650697 562.2228       38.15340 552.6143       45.86838 583.8000       68.73586 105.8894 4.435242 108.4134 6.507252 -2.524010      7.875005 
1 1 1 -9  13 31 o 186.6338 4.699091 1717.607       85.77583 1682.936       103.6389 1793.000       152.8279 184.3963 5.749041 189.2153 8.271623 -4.818970      10.07329 
1 1 1 -9  13 32 o 75.53019 3.764237 281.3302       27.74169 256.0465       32.52038 348.9000       53.16335 71.90141 4.645609 83.53603 6.554230 -11.63462      8.033655 
1 1 1 -9  13 33 o 99.50798 3.227158 487.2242       31.39132 501.0544       43.52217 472.2274       45.32048 100.6756 4.427345 97.65542 4.755538 3.020187       6.497425 
1 1 1 -9  13 34 o 28.05322 6.414446 40.78041       17.22923 55.28281       21.25691 13.00804       29.41620 32.66372 6.866879 22.16229 8.894341 10.50143       11.23670 
1 1 1 -9  13 35 o 97.70029 3.332376 470.5089       31.82145 473.5576       43.82374 467.1087       46.28141 97.70505 4.595203 96.94926 4.892852 0.7557831      6.712369 
1 1 1 -9  13 36 o 81.59574 3.809125 329.4164       30.33882 310.8169       35.83363 376.5000       57.01308 79.04176 4.652138 86.25587 6.807892 -7.214104      8.245592 
1 1 1 -9  13 37 o 36.30275 6.130361 67.77511       21.00878 60.19524       24.36272 89.76000       41.49131 33.81449 7.551661 40.64038 10.39104 -6.825893      12.84528 
1 1 1 -9  13 38 o 77.76796 3.476934 299.1678       26.39999 283.1124       35.30431 319.5341       39.76249 75.27976 4.816454 79.89328 5.111414 -4.613518      7.023161 
1 1 1 -9  13 39 o 71.03020 3.944057 250.6519       27.31392 234.7000       39.10639 265.8460       38.16618 68.08912 5.926636 72.69364 5.402465 -4.604523      8.019454 
1 1 1 -9  13 40 o 33.91078 6.182030 59.73354       19.76408 51.00462       26.29967 71.05936       29.95745 30.84498 8.458722 36.32158 8.566240 -5.476595      12.03871 
1 1 1 -9  13 41 o 12.45569 5.964163 -27.47592      20.71899 -45.81641      24.78036 15.13000       37.76915 12.41446 6.077252 24.17425 9.937675 -11.75979      11.64862 
1 1 1 -9  13 42 o 99.51533 3.411964 491.1033       33.18623 512.7482       47.37252 470.2445       46.50434 101.0448 4.803433 96.69128 4.929873 4.353493       6.883068 
1 1 1 -9  13 43 o 47.26725 4.826726 113.3947       22.01845 101.2317       30.95033 125.8585       31.33073 43.54714 7.533619 49.05616 6.699739 -5.509022      10.08176 
1 1 1 -9  13 44 o 66.68005 3.890509 222.7003       25.28238 223.8120       35.92865 221.6098       35.58323 66.04455 5.610793 65.73151 5.583297 0.3130417      7.915441 
1 1 1 -9  13 45 o 23.52312 8.363750 27.40341       24.20102 28.90551       29.77629 24.48000       41.53992 24.69885 9.201202 25.76691 10.48693 -1.068058      13.95127 
1 1 1 -9  13 46 o 16.72511 7.102489 3.181235       20.25175 25.92343       29.02712 -18.38784      28.26855 23.82403 9.039555 16.20352 7.506628 7.620512       11.75002 
1 1 1 -9  13 47 o 51.32730 4.607453 134.2240       22.90207 116.8880       32.17678 152.0238       32.60429 46.52359 7.306348 53.76236 6.316026 -7.238770      9.657893 
1 1 1 -9  13 48 o 55.83897 4.350061 158.2969       23.58855 184.3338       33.75322 133.4412       32.97874 59.43244 5.879046 49.87977 6.942560 9.552673       9.097380 
1 1 1 -9  13 49 o 28.93525 8.174812 47.35516       24.17009 59.13702       30.21791 26.43000       40.27096 31.88600 9.183990 25.38170 10.32724 6.504297       13.82019 
1 1 1 -9  13 50 o 31.10509 7.129581 53.59066       21.24189 29.57003       30.82131 75.32271       29.31631 24.51885 9.312048 36.29363 8.416121 -11.77478      12.55171 
1 1 1 -9  13 51 o 51.92930 5.329672 140.7896       26.70658 131.8000       46.13894 145.3191       32.75079 46.41690 10.41213 51.94067 6.589941 -5.523766      12.32233 
1 1 1 -9  13 52 o 62.76737 4.157660 200.6433       25.40005 237.3487       38.19830 171.5494       34.00794 67.02585 5.881875 56.66251 6.234563 10.36334       8.571244 
1 1 1 -9  13 53 o 71.50963 5.729350 268.9271       39.76767 242.2000       58.35665 292.1000       54.33810 64.08847 9.597533 72.50761 7.777635 -8.419144      12.35331 
1 1 1 -9  13 54 o 26.50633 8.396036 40.39455       24.42349 37.46000       47.91056 41.42491       28.38920 27.38773 11.21832 26.79857 9.084669 0.5891571      14.43544 
1 1 1 -9  13 55 o 31.12581 7.390845 54.92174       22.17996 87.22475       33.96744 30.91053       29.28521 38.15373 9.202601 24.28595 9.109267 13.86779       12.94862 
1 1 1 -9  13 56 o 21.54797 8.393136 21.28473       25.48514 21.98539       32.69595 20.20000       40.68161 22.86831 9.305105 23.81833 10.08854 -0.9500217     13.72456 
1 1 1 -9  13 57 o 39.24471 7.377192 86.71537       27.29855 98.44677       34.92399 68.29000       43.76803 40.61764 9.019175 32.35932 11.26878 8.258320       14.43367 
1 1 1 -9  13 58 o 22.03841 8.490541 23.83630       25.86592 34.03913       32.57833 6.436000       42.54483 24.98647 9.553497 22.08136 9.815211 2.905107       13.69700 
1 1 1 -9  13 59 o 26.92757 8.802269 43.80900       26.70106 62.58526       34.01623 13.67000       43.09690 31.20638 9.911518 22.82648 10.02377 8.379898       14.09660 
1 1 1 -9  14 1  o 220.3860 6.387360 2384.222       137.6427 2362.000       195.6473 2406.000       193.6799 219.0110 9.146579 221.0708 8.969116 -2.059845      12.81035 
1 1 1 -9  14 2  o 183.0640 5.549785 1644.349       99.33068 1792.000       149.9873 1529.000       132.5693 190.8529 8.046835 176.3065 7.700470 14.54637       11.13772 
1 1 1 -9  14 3  o 317.2455 7.102143 4939.172       220.5419 5212.680       281.0677 4501.000       355.7531 325.5507 8.828506 301.8357 12.06557 23.71500       14.95060 
1 1 1 -9  14 4  o 61.78455 4.282056 187.9103       25.73612 166.7244       31.53038 230.2000       44.54746 58.04552 5.619720 68.16399 6.765905 -10.11846      8.795382 
1 1 1 -9  14 5  o 235.8683 5.523125 2727.535       127.5148 2707.555       155.8474 2768.000       221.7924 234.8015 6.788102 237.0082 9.580163 -2.206665      11.74129 
1 1 1 -9  14 6  f 53.31612 4.641308 140.3486       23.98058 94.50028       28.46331 252.5000       44.51701 43.34350 6.943262 71.45381 6.433770 -28.11031      9.465848 
1 1 1 -9  14 7  o 269.8267 6.150506 3571.523       162.4434 3441.000       277.0687 3639.890       200.5228 264.0100 10.74408 272.1360 7.535112 -8.126007      13.12300 
1 1 1 -9  14 8  o 152.6234 3.523028 1140.943       52.63123 1120.917       75.00394 1160.370       73.87255 151.1285 5.077485 153.7813 4.913955 -2.652817      7.065961 
1 1 1 -9  14 9  o 193.8963 4.089766 1842.060       77.62009 1822.833       109.8475 1861.234       109.6954 192.6823 5.830988 194.7104 5.761974 -2.028046      8.197607 
1 1 1 -9  14 10 o 67.56647 3.124336 224.0598       20.60715 198.8143       30.08780 246.3656       28.28179 63.49653 4.878357 70.78970 4.099133 -7.293163      6.371912 
1 1 1 -9  14 11 o 205.5375 4.961658 2071.343       99.82150 1816.000       162.7212 2225.415       126.3991 191.8979 8.685505 212.8620 6.072726 -20.96411      10.59792 
1 1 1 -9  14 12 o 63.77002 3.974266 200.0397       24.68400 118.0000       48.93814 228.0334       28.58682 47.96148 10.69681 68.07436 4.312350 -20.11288      11.53335 
1 1 1 -9  14 13 o 126.4166 3.812572 783.7692       47.12289 701.9000       83.47084 822.0677       57.09073 119.2948 7.181624 129.4183 4.513662 -10.12349      8.482268 
1 1 1 -9  14 14 o 146.9434 4.065421 1059.046       58.41769 940.6000       99.96411 1120.474       71.98947 138.1140 7.421607 151.0782 4.874496 -12.96417      8.879243 
1 1 1 -9  14 15 o 181.8766 4.592290 1623.047       81.68926 1457.000       136.7648 1715.144       101.8544 171.8358 8.154465 186.8583 5.575030 -15.02249      9.878070 
1 1 1 -9  14 16 f 68.94654 4.147672 233.8692       27.86187 174.0000       54.80257 254.7379       32.35545 58.56847 9.912663 71.92490 4.620245 -13.35643      10.93652 
1 1 1 -9  14 17 f 267.5506 7.547906 3526.168       197.4715 3422.000       276.8839 3634.000       281.7124 262.6800 10.79171 270.7531 10.65061 -8.073151      15.16234 
1 1 1 -9  14 18 o 282.1009 7.907830 3923.369       218.1420 3829.000       306.6884 4020.000       310.3428 277.6299 11.30928 284.5339 11.16465 -6.903992      15.89180 
1 1 1 -9  14 19 o 91.51719 4.648397 411.9252       41.50375 0.000000       0.000000 411.9252       41.50375 ?        ?        91.51719 4.648397 ?              ?        
1 1 1 -9  14 20 o 184.0934 4.686103 1663.883       84.37290 1834.000       158.5693 1596.698       99.65044 192.6179 8.430814 180.2054 5.656445 12.41251       10.15254 
1 1 1 -9  14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  14 22 o 221.8588 6.491153 2423.962       140.8113 0.000000       0.000000 2423.962       140.8113 ?        ?        221.8588 6.491153 ?              ?        
1 1 1 -9  14 23 o 115.3779 3.965647 653.6932       44.71949 627.0000       84.15676 664.1963       52.78931 112.4715 7.690621 116.2300 4.649421 -3.758461      8.986811 
1 1 1 -9  14 24 o 242.1328 5.705119 2883.081       135.2149 2865.000       236.5991 2891.851       164.7743 239.9549 10.09598 242.1217 6.959859 -2.166794      12.26248 
1 1 1 -9  14 25 o 211.2990 5.157915 2194.547       106.6787 2079.000       182.4508 2254.569       131.4991 204.5268 9.136651 213.8547 6.288827 -9.327911      11.09179 
1 1 1 -9  14 26 o 259.9037 6.048984 3327.682       153.8867 3159.000       260.2473 3418.370       190.8212 251.3295 10.60262 262.8870 7.423120 -11.55751      12.94289 
1 1 1 -9  14 27 o 165.9016 4.444538 1353.327       72.10940 1277.000       125.4761 1390.965       88.11304 160.3069 8.022038 168.0168 5.364611 -7.709915      9.650500 
1 1 1 -9  14 28 o 174.7460 4.570619 1502.651       78.11161 1499.000       139.3321 1504.324       94.32895 173.4827 8.228647 174.6248 5.525606 -1.142090      9.911758 
1 1 1 -9  14 29 o 139.4189 3.430938 954.2582       46.82099 873.4607       62.99117 1054.008       69.99026 133.0953 4.843235 146.2096 4.897435 -13.11433      6.887800 
1 1 1 -9  14 30 o 133.7617 3.416524 879.3434       44.69584 885.7371       62.37258 872.5947       64.08094 133.9842 4.763494 132.9463 4.932875 1.037842       6.857414 
1 1 1 -9  14 31 o 67.40292 3.792107 224.1717       24.91785 216.4415       28.94482 246.3000       48.97208 66.11617 4.499376 69.93918 7.259002 -3.823013      8.540345 
1 1 1 -9  14 32 o 106.5626 3.664223 559.4234       38.16333 539.2082       45.47055 607.6000       70.19546 104.4524 4.457645 110.2915 6.531449 -5.839188      7.907618 
1 1 1 -9  14 33 o 24.65418 6.730456 31.34959       16.69411 22.97803       18.44857 69.19000       39.22270 21.95448 7.322628 36.23761 10.47119 -14.28313      12.77759 
1 1 1 -9  14 34 o 80.23498 3.748610 318.0531       29.35878 300.7921       34.35407 364.8000       56.53567 77.85360 4.527634 85.04588 6.849343 -7.192284      8.210540 
1 1 1 -9  14 35 o 19.17247 7.338374 13.15377       19.23580 13.15377       19.23580 0.000000       0.000000 19.17247 7.338374 ?        ?        ?              ?        
1 1 1 -9  14 36 o 60.40522 4.139728 181.3736       24.32871 191.9097       28.87640 155.6000       45.16375 61.98262 4.796866 54.46234 8.769766 7.520279       9.995935 
1 1 1 -9  14 37 o 69.33176 3.561644 237.9786       24.08968 209.5688       31.10300 280.5702       38.08295 64.69897 4.948887 74.82025 5.233013 -10.12128      7.202494 
1 1 1 -9  14 38 o 15.80037 6.669896 2.003668       17.68337 7.091000       21.99315 -7.299511      29.74117 18.50197 7.592151 18.58027 8.235569 -0.7829857E-01 11.20113 
1 1 1 -9  14 39 o 10.87550 5.235610 -24.17359      16.46036 -28.12046      20.38481 -16.77800      27.90401 12.26146 5.882989 16.62387 7.612537 -4.362409      9.620826 
1 1 1 -9  14 40 o 46.45838 4.632621 108.6517       20.78620 118.3595       27.80883 96.36093       31.29045 48.06202 6.044559 42.67013 7.778216 5.391888       9.850754 
1 1 1 -9  14 41 o 87.15461 3.456281 376.6968       29.42684 421.9808       41.95954 332.8667       41.28044 91.75615 4.687387 81.23362 5.219228 10.52253       7.015122 
1 1 1 -9  14 42 o 51.91896 5.066892 136.8643       25.42249 157.9708       31.80081 99.49000       42.31716 55.44901 5.952266 41.88815 10.37535 13.56086       11.96149 
1 1 1 -9  14 43 o 15.51762 6.767897 -1.740819      19.35317 -6.307227      26.82374 3.217104       27.95001 17.46046 7.775415 19.33661 8.281470 -1.876152      11.35957 
1 1 1 -9  14 44 o 26.79073 7.532113 39.07776       20.57087 37.27253       28.98041 40.91097       29.20409 26.61975 9.174791 27.55442 9.213597 -0.9346771     13.00258 
1 1 1 -9  14 45 o 36.07098 6.184458 68.83842       21.05010 50.88229       29.51291 87.43250       30.03258 30.06979 9.183373 39.87578 7.973276 -9.805996      12.16172 
1 1 1 -9  14 46 o 12.93644 6.060364 -16.94292      19.26124 -17.57225      26.75678 -16.26604      27.74934 15.76194 7.302437 16.26310 7.499859 -0.5011606     10.46773 
1 1 1 -9  14 47 o 18.59154 7.391531 11.93239       20.12420 -3.433519      28.60096 26.99888       28.32093 18.23487 8.079642 23.84548 8.955101 -5.610613      12.06128 
1 1 1 -9  14 48 o 42.59323 6.153233 96.15070       24.91099 115.3330       31.46245 63.92000       40.78282 46.10250 7.207948 32.66208 10.88725 13.44043       13.05706 
1 1 1 -9  14 49 o 25.20642 7.653831 35.14550       20.54004 41.45026       30.15259 29.68682       28.05655 27.24718 9.359750 24.24480 8.950185 3.002377       12.95032 
1 1 1 -9  14 50 f 17.16365 7.356997 3.309736       22.09215 27.52000       38.10605 -8.947574      27.11388 25.02378 10.09499 16.80626 7.621348 8.217510       12.64886 
1 1 1 -9  14 51 o 32.17672 6.986457 57.46040       21.37217 88.80963       31.41849 30.46063       29.15761 39.27496 8.425196 24.32888 9.096791 14.94607       12.39901 
1 1 1 -9  14 52 o 41.04556 5.836009 89.73721       22.78708 99.62181       34.63283 82.19130       30.25968 41.28318 8.837259 37.68514 8.416145 3.598042       12.20363 
1 1 1 -9  14 53 o 25.36719 7.901142 36.48748       21.71873 69.22741       34.47140 14.93558       27.96810 33.54675 9.851919 20.78441 8.548673 12.76234       13.04378 
1 1 1 -9  14 54 o 43.26093 5.650285 99.35609       23.35487 116.1269       35.78441 86.91157       30.82519 44.81916 8.467094 38.68835 8.382580 6.130817       11.91467 
1 1 1 -9  14 55 o 13.41482 6.384561 -23.90995      22.99652 -56.86000      43.15484 -10.84261      27.17659 16.79463 8.177261 16.42988 7.519553 0.3647480      11.10906 
1 1 1 -9  14 56 o 37.86723 7.107956 80.16949       25.37864 91.71000       48.71232 75.87003       29.73260 36.63755 11.88306 35.81548 8.591603 0.8220711      14.66365 
1 1 1 -9  14 57 o 20.59623 8.055921 18.96798       23.55783 68.45000       45.76021 1.124812       27.47896 32.12034 11.49201 18.12674 7.980444 13.99360       13.99120 
1 1 1 -9  14 58 o 51.64050 7.287772 149.9715       35.81469 213.3000       51.57893 91.01000       49.76880 59.67539 9.119200 35.78606 12.02858 23.88933       15.09458 
1 1 1 -9  14 59 o 19.84622 8.708947 6.148198       32.48073 39.65000       53.37874 -13.55000      40.93054 27.08710 11.51792 19.34320 8.985755 7.743902       14.60843 
1 1 1 -9  15 1  o 388.6955 7.395539 7419.747       281.3750 7555.016       403.3820 7291.559       392.6824 391.3919 10.53887 384.5290 10.44259 6.862885       14.83629 
1 1 1 -9  15 2  f 449.2892 8.477948 9924.388       372.8404 10096.88       534.4197 9760.823       520.4113 451.9608 12.09110 444.4128 11.97429 7.548004       17.01700 
1 1 1 -9  15 3  o 145.0910 3.982023 1032.108       56.49886 1094.296       73.17342 940.3000       88.90828 149.3261 5.013347 138.2619 6.588473 11.06415       8.278987 
1 1 1 -9  15 4  o 290.6813 5.677907 4144.061       161.5517 4136.722       229.3239 4151.291       227.6228 289.9987 8.086698 290.5227 8.012063 -0.5240479     11.38367 
1 1 1 -9  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  15 6  o 358.3263 9.755207 6329.898       341.8355 6299.000       482.6375 6361.000       484.2232 356.1337 13.87181 357.8933 13.84861 -1.759613      19.60130 
1 1 1 -9  15 7  o 271.0524 6.194280 3605.538       164.3426 3556.247       199.6899 3709.000       289.3066 268.9028 7.594334 273.9421 10.81053 -5.039307      13.21141 
1 1 1 -9  15 8  o 268.3571 6.151706 3534.399       161.5902 3503.368       197.1068 3598.000       282.1868 266.8823 7.552880 269.7917 10.70693 -2.909393      13.10284 
1 1 1 -9  15 9  o 166.6350 3.703053 1360.391       60.39935 1339.959       85.79227 1380.470       85.04774 165.2025 5.312395 167.6960 5.187481 -2.493469      7.425058 
1 1 1 -9  15 10 o 194.3374 4.102225 1850.823       78.03369 1818.390       110.0413 1883.631       110.6741 192.4073 5.849684 195.8399 5.779815 -3.432587      8.223446 
1 1 1 -9  15 11 o 134.5097 3.325614 886.2908       43.78564 845.2990       62.14132 926.7095       61.70546 131.2066 4.846916 137.4098 4.594208 -6.203186      6.678274 
1 1 1 -9  15 12 o 152.8036 4.122941 1145.210       61.60979 1056.000       107.0838 1189.351       75.32559 146.3516 7.500167 155.6492 4.950419 -9.297592      8.986609 
1 1 1 -9  15 13 o 237.8229 5.558084 2775.789       129.3853 2558.000       215.7806 2898.051       161.6733 227.4552 9.714303 242.7413 6.811107 -15.28615      11.86418 
1 1 1 -9  15 14 o 240.0788 5.609489 2829.275       131.8206 2575.000       218.0744 2975.679       165.4742 228.1414 9.788267 245.9332 6.880721 -17.79178      11.96472 
1 1 1 -9  15 15 o 150.3020 4.134267 1108.313       60.76546 1019.000       105.9609 1152.079       74.17421 143.6951 7.560112 153.1629 4.954100 -9.467850      9.038716 
1 1 1 -9  15 16 o 17.96301 7.600832 0.8955515      23.05365 -25.81000      49.75837 8.195000       26.01419 23.05355 10.40187 20.46406 8.309938 2.589491       13.31368 
1 1 1 -9  15 17 o 85.61713 4.764297 360.7352       39.76945 297.9000       64.53905 399.2000       50.49553 77.23088 8.687918 89.97124 5.764126 -12.74036      10.42617 
1 1 1 -9  15 18 o 186.7885 4.740998 1712.961       86.61139 1559.000       147.1534 1794.567       107.1340 177.5635 8.491237 191.0508 5.735406 -13.48730      10.24675 
1 1 1 -9  15 19 o 122.1658 4.006891 732.5747       47.84929 684.3000       89.04424 752.1741       56.73719 117.5796 7.780677 123.7241 4.693485 -6.144547      9.086679 
1 1 1 -9  15 20 f 161.7125 5.259070 1285.531       83.13441 0.000000       0.000000 1285.531       83.13441 ?        ?        161.7125 5.259070 ?              ?        
1 1 1 -9  15 21 o 129.4984 5.023225 824.6586       63.55194 753.0000       94.16584 884.6000       86.12369 123.3037 7.842737 133.9048 6.591083 -10.60109      10.24455 
1 1 1 -9  15 22 o 210.8472 6.382838 2190.207       131.5793 2181.000       188.2562 2199.000       183.9798 209.6623 9.195606 210.6039 8.945153 -0.9415894     12.82868 
1 1 1 -9  15 23 o 151.9004 5.246432 1135.208       77.88913 1163.000       116.8703 1113.000       104.4731 153.2658 7.816081 150.0717 7.132540 3.194138       10.58132 
1 1 1 -9  15 24 o 151.3701 4.274146 1125.636       63.26458 1072.000       112.2933 1150.577       76.57361 147.0600 7.829260 152.9140 5.123177 -5.853943      9.356509 
1 1 1 -9  15 25 o 142.5822 4.156581 998.8980       57.94873 1010.000       105.7868 994.1384       69.26552 142.7192 7.599965 142.1189 4.986924 0.6003723      9.090043 
1 1 1 -9  15 26 o 141.3081 4.143168 981.4580       57.24488 890.0000       100.5419 1025.328       69.63370 133.8432 7.706988 144.3061 4.937064 -10.46284      9.152719 
1 1 1 -9  15 27 o 166.2383 4.448101 1359.549       72.31385 1299.000       127.4852 1388.273       87.80671 161.5258 8.089022 167.7924 5.353098 -6.266586      9.699894 
1 1 1 -9  15 28 f 98.66297 3.941778 479.1018       37.99072 387.1000       69.48788 518.3263       45.37220 87.81133 8.178519 102.5380 4.531821 -14.72672      9.350164 
1 1 1 -9  15 29 o 33.55681 7.589923 58.22165       24.34442 72.49000       50.44720 53.89020       27.79499 37.87635 12.07486 32.26685 8.631931 5.609497       14.84293 
1 1 1 -9  15 30 o 172.3564 4.562012 1465.324       76.89675 1605.000       144.3755 1410.009       90.85618 178.8172 8.270962 168.7681 5.507313 10.04910       9.936766 
1 1 1 -9  15 31 o 66.88787 3.407625 220.5320       22.23678 236.6522       29.41555 199.0351       33.96871 69.14159 4.368754 63.15282 5.551601 5.988777       7.064438 
1 1 1 -9  15 32 o 86.53551 3.278775 368.7909       27.72208 407.5059       38.25396 325.9717       40.23057 90.76785 4.318027 80.98246 5.101186 9.785385       6.683372 
1 1 1 -9  15 33 o 110.8277 3.317827 605.0199       35.95166 642.6175       50.63332 566.7919       51.05596 113.9038 4.550584 106.8608 4.894139 7.042946       6.682844 
1 1 1 -9  15 34 o 88.54711 4.521072 389.2604       39.05549 389.2604       39.05549 0.000000       0.000000 88.54711 4.521072 ?        ?        ?              ?        
1 1 1 -9  15 35 o 38.34563 5.736918 74.96554       20.87210 75.52538       22.89440 72.21000       50.79279 38.33561 6.321416 36.97557 12.14345 1.360046       13.69028 
1 1 1 -9  15 36 o 43.41051 5.184273 95.19456       21.59377 81.37217       24.34450 146.2000       46.76463 39.73317 6.482854 52.38435 9.468737 -12.65117      11.47538 
1 1 1 -9  15 37 o 19.69917 7.523077 14.40969       20.18657 33.12000       22.99711 -48.41000      42.13866 25.51909 8.154561 18.13570 8.634530 7.383394       11.87653 
1 1 1 -9  15 38 o 80.08084 3.471680 317.4577       27.14823 301.4289       36.73314 336.7517       40.30124 77.60653 4.860034 81.97392 5.047163 -4.367393      7.006697 
1 1 1 -9  15 39 f 51.96580 4.292694 135.1601       21.64044 172.6792       30.06111 94.80177       31.17783 58.45922 5.311386 42.31931 7.814442 16.13992       9.448615 
1 1 1 -9  15 40 o 12.47941 5.865117 -18.22830      18.29134 -27.84121      24.43344 -5.972277      27.58874 13.94990 6.622509 17.94960 7.945207 -3.999706      10.34330 
1 1 1 -9  15 41 o 54.41839 4.332218 148.7099       22.88573 166.9988       32.62252 130.9866       32.11410 57.08286 5.924622 50.16503 6.708146 6.917835       8.949881 
1 1 1 -9  15 42 o 18.93922 7.366325 13.03283       19.60850 7.737271       27.50608 18.50488       27.96072 20.04469 8.380966 22.29129 8.759354 -2.246601      12.12299 
1 1 1 -9  15 43 o 19.01109 7.908879 7.677061       24.31440 -1.916000      33.10699 18.91000       35.82513 19.94191 8.770335 23.87040 9.729963 -3.928495      13.09927 
1 1 1 -9  15 44 o 30.40508 6.935046 50.06934       20.18115 78.90688       28.92650 22.72143       28.16948 37.83076 8.058628 23.03562 8.864248 14.79514       11.97983 
1 1 1 -9  15 45 o 21.41776 7.623344 22.32190       20.11087 30.19623       28.55229 14.56908       28.33112 24.70996 9.044548 21.30369 8.664252 3.406265       12.52490 
1 1 1 -9  15 46 o 22.06056 7.634719 24.67270       20.07565 19.30803       28.92777 29.65704       27.88352 22.31800 8.865607 24.42579 8.938401 -2.107788      12.58944 
1 1 1 -9  15 47 f 42.41903 6.089133 95.10874       24.55879 105.2560       31.46859 79.30000       39.27816 43.80745 7.615038 36.31595 10.47398 7.491505       12.94963 
1 1 1 -9  15 48 o 15.18686 6.749572 -4.077156      20.11102 -6.229755      30.12119 -2.345716      27.01434 18.18161 8.157607 17.81588 7.875172 0.3657303      11.33865 
1 1 1 -9  15 49 o 20.80210 7.967062 19.09660       22.68225 -8.392000      41.04004 31.18623       27.21686 20.67415 9.375809 24.44739 8.848009 -3.773233      12.89159 
1 1 1 -9  15 50 o 44.37541 5.312540 103.1319       22.61744 110.1901       33.79341 97.40480       30.44049 44.09264 8.129398 41.65413 7.751171 2.438511       11.23244 
1 1 1 -9  15 51 o 32.12935 7.116679 57.70488       21.79113 63.47720       33.20553 53.33851       28.87988 32.30264 9.715091 29.98788 9.069309 2.314764       13.29042 
1 1 1 -9  15 52 o 27.58933 7.733790 43.40525       21.72087 40.17215       34.42086 45.54461       27.99977 26.83067 9.911923 27.93223 9.005006 -1.101561      13.39165 
1 1 1 -9  15 53 o 27.44060 7.731374 43.08785       21.64951 79.02708       33.95062 18.45897       28.10513 36.09470 9.486781 21.49153 8.669783 14.60317       12.85162 
1 1 1 -9  15 54 o 16.46545 7.063493 3.181392       20.39547 -15.25821      31.67088 16.24700       26.65933 17.24009 7.972351 20.73054 8.414481 -3.490454      11.59146 
1 1 1 -9  15 55 o 30.79120 7.246614 53.69878       21.47489 39.09211       33.72318 63.66233       27.85222 26.34503 9.796382 32.78849 8.580451 -6.443457      13.02280 
1 1 1 -9  15 56 o 17.32923 7.654769 -0.5829849     25.48116 -12.23358      33.00024 16.62000       40.10005 17.88579 8.222943 23.14316 9.915773 -5.257372      12.88175 
1 1 1 -9  15 57 o 23.14891 8.037845 29.72215       22.25990 29.72215       22.25990 0.000000       0.000000 23.14891 8.037845 ?        ?        ?              ?        
1 1 1 -9  15 58 o 27.29069 7.939806 44.04813       22.48107 36.90278       26.59179 61.95000       42.09061 25.11049 8.780993 30.50819 11.00838 -5.397699      14.08155 
1 1 1 -9  15 59 o 25.01620 7.619706 36.73862       20.33596 45.77138       23.23542 7.170000       42.03934 27.59345 8.084363 21.67604 9.687861 5.917412       12.61791 
1 1 1 -9  16 1  o 187.0232 4.032669 1713.907       73.82343 1675.381       105.1725 1751.324       103.6484 184.6982 5.824739 188.8650 5.612899 -4.166809      8.089019 
1 1 1 -9  16 2  o 139.5722 3.405526 954.2161       46.52531 967.6624       68.50215 942.7025       63.38845 140.3947 4.992743 138.5963 4.679243 1.798462       6.842718 
1 1 1 -9  16 3  o 281.1850 7.862540 3890.417       216.1896 3624.000       292.9555 4209.000       320.3549 270.6577 11.08139 291.6746 11.24192 -21.01682      15.78537 
1 1 1 -9  16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 6  o 160.0532 4.260211 1256.399       66.68304 1297.233       83.39408 1184.000       111.0431 162.5469 5.248317 155.0407 7.337935 7.506149       9.021647 
1 1 1 -9  16 7  o 119.8299 3.838768 704.3065       44.96789 687.9644       54.71953 738.3000       78.91979 118.3618 4.732614 122.4325 6.609921 -4.070686      8.129496 
1 1 1 -9  16 8  o 225.8892 5.367719 2503.187       118.6838 2427.353       142.8759 2672.000       213.1711 222.2138 6.575969 232.6338 9.380820 -10.42006      11.45614 
1 1 1 -9  16 9  o 72.56770 4.604194 259.2223       32.53554 277.7000       43.81071 236.5000       48.58283 74.97328 6.020475 68.97938 7.306391 5.993904       9.467284 
1 1 1 -9  16 10 o 21.41270 6.119573 23.03969       13.46680 30.12936       23.14360 19.41042       16.55873 25.18873 8.192336 20.59054 6.938326 4.598190       10.73568 
1 1 1 -9  16 11 o 125.5982 3.256377 773.3146       39.99980 723.8979       56.37621 823.4103       56.76228 121.4005 4.753454 129.5124 4.484335 -8.111839      6.534874 
1 1 1 -9  16 12 o 262.4471 5.211588 3379.765       133.8808 3342.441       189.2360 3417.169       189.4361 260.5421 7.427851 263.4566 7.353134 -2.914551      10.45187 
1 1 1 -9  16 13 o 90.11520 3.721201 398.6602       32.75307 281.2000       61.91986 444.2933       38.59443 75.04953 8.583188 95.10746 4.155789 -20.05793      9.536336 
1 1 1 -9  16 14 o 120.7261 3.840896 715.1185       45.33013 583.5000       79.93355 777.5130       55.03563 108.6102 7.566177 125.8327 4.475446 -17.22254      8.790714 
1 1 1 -9  16 15 o 167.8141 5.380795 1383.946       88.27127 1327.000       128.3855 1435.000       121.5626 163.9067 8.026677 170.5942 7.296826 -6.687469      10.84764 
1 1 1 -9  16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 17 o 155.7686 4.298267 1190.931       65.47330 1025.000       111.5340 1278.175       80.87434 143.9822 7.944726 161.2811 5.129486 -17.29884      9.456759 
1 1 1 -9  16 18 o 238.5055 6.847200 2801.868       159.6864 0.000000       0.000000 2801.868       159.6864 ?        ?        238.5055 6.847200 ?              ?        
1 1 1 -9  16 19 o 80.33580 3.579956 316.9943       28.08023 318.3000       43.29202 316.0460       36.89383 80.30165 5.541774 80.10880 4.726082 0.1928558      7.283345 
1 1 1 -9  16 20 o 266.2334 5.301619 3482.047       138.1584 3347.905       190.8235 3629.829       200.2910 260.4627 7.492586 271.1984 7.552509 -10.73566      10.63857 
1 1 1 -9  16 21 o 106.7590 3.933662 559.8055       41.03594 621.4000       80.83394 538.4204       47.62986 111.9978 7.415325 104.6205 4.662821 7.377312       8.759506 
1 1 1 -9  16 22 o 181.7079 5.816461 1625.853       103.3187 1535.000       144.4571 1721.000       147.8308 175.9638 8.411407 186.4214 8.120938 -10.45758      11.69194 
1 1 1 -9  16 23 o 134.2446 4.072371 885.2587       53.45000 826.4000       96.92590 910.9792       64.07287 129.0807 7.706443 136.0834 4.817800 -7.002655      9.088480 
1 1 1 -9  16 24 o 148.5044 4.198306 1083.670       60.96543 1028.000       108.4884 1109.364       73.70373 143.9450 7.728151 150.1273 5.022681 -6.182281      9.216922 
1 1 1 -9  16 25 f 174.0431 4.554859 1489.736       77.52906 1520.000       140.8090 1476.570       92.87463 174.8402 8.251064 173.0813 5.488960 1.758865       9.910032 
1 1 1 -9  16 26 o 206.8719 5.103464 2107.007       103.3410 1862.000       171.2372 2247.357       129.6030 193.0308 9.088376 213.2571 6.215399 -20.22627      11.01044 
1 1 1 -9  16 27 o 139.0619 4.107819 951.4439       55.85336 912.1000       100.8317 968.8598       67.08585 135.2767 7.646088 140.1754 4.896890 -4.898712      9.079769 
1 1 1 -9  16 28 o 131.7150 4.047044 854.0132       52.11512 845.7000       95.07147 857.5844       62.31120 130.1633 7.493680 131.8275 4.837166 -1.664200      8.919271 
1 1 1 -9  16 29 o 214.7348 5.253838 2278.059       110.4296 2416.000       201.8144 2219.107       131.9330 218.6799 9.450691 211.3754 6.383968 7.304474       11.40485 
1 1 1 -9  16 30 o 109.8564 3.986082 595.0980       42.79147 647.9000       83.47008 576.2734       49.83902 113.5586 7.552308 107.9377 4.728738 5.620850       8.910573 
1 1 1 -9  16 31 f 36.02935 9.246664 68.40060       32.77081 137.2000       56.69988 33.89000       40.15744 50.50338 11.69961 28.66718 10.68428 21.83620       15.84408 
1 1 1 -9  16 32 o 50.64777 5.612226 128.9859       27.35649 200.7000       57.83377 108.3151       31.04980 61.90002 9.876916 45.96773 7.131751 15.93229       12.18258 
1 1 1 -9  16 33 o 19.19738 8.540399 -9.819345      32.27927 27.78000       56.76256 -27.79000      39.24224 30.41315 12.30231 19.28165 8.901479 11.13149       15.18497 
1 1 1 -9  16 34 o 95.13524 3.348303 446.6023       31.13112 475.1336       43.23573 415.8851       44.86135 97.80371 4.528577 91.32763 5.037903 6.476082       6.774103 
1 1 1 -9  16 35 o 62.36642 3.661762 192.7345       22.25523 213.0034       29.31880 165.1770       34.18620 65.34549 4.613442 57.03917 6.223969 8.306324       7.747363 
1 1 1 -9  16 36 f 13.82294 6.116658 -4.642607      16.33873 1.713000       19.56117 -19.30871      29.71486 16.49241 6.991036 16.99162 7.808570 -0.4992085     10.48086 
1 1 1 -9  16 37 o 25.94351 7.230976 35.34426       19.04642 35.97814       21.02243 32.44000       44.99860 26.22188 7.691725 28.65256 11.15490 -2.430679      13.54970 
1 1 1 -9  16 38 o 58.15438 4.443567 169.2367       25.10261 170.0181       28.99750 166.9000       50.14561 58.07110 5.154965 55.65739 9.548207 2.413712       10.85089 
1 1 1 -9  16 39 o 48.25311 4.993327 117.7181       23.24383 112.5435       26.66331 134.1000       47.44172 46.85965 5.946862 49.32781 10.16395 -2.468159      11.77586 
1 1 1 -9  16 40 o 48.50069 5.271652 119.6966       24.62442 128.9649       28.52655 92.60000       48.77624 50.11881 5.929616 40.08399 11.70466 10.03482       13.12095 
1 1 1 -9  16 41 o 68.54525 4.372724 235.9516       29.18537 246.3356       34.81447 211.4000       53.53231 69.71050 5.138286 62.37123 9.030999 7.339272       10.39042 
1 1 1 -9  16 42 o 63.80865 4.810537 206.3641       29.82422 283.3000       63.87091 184.9117       33.72689 71.71426 9.319144 59.90358 5.825464 11.81067       10.99011 
1 1 1 -9  16 43 o 26.83929 7.031684 39.06691       18.69095 72.99120       25.90639 2.236946       26.99307 36.64874 7.475307 18.78401 8.092926 17.86473       11.01706 
1 1 1 -9  16 44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  16 45 f 36.92458 5.621989 71.42171       19.67898 128.1917       28.15200 17.17467       27.51934 49.51565 5.926000 21.59288 8.624142 27.92278       10.46390 
1 1 1 -9  16 46 o 48.45815 5.076286 120.9759       23.72103 165.9357       30.66241 53.96000       37.43549 56.52781 5.615819 30.60817 10.43135 25.91964       11.84696 
1 1 1 -9  16 47 o 45.75803 4.901282 107.8636       21.61085 120.3408       31.48466 96.74851       29.71662 47.19276 7.030038 41.95665 7.511747 5.236118       10.28823 
1 1 1 -9  16 48 o 69.03399 5.322873 246.6995       35.69035 303.9000       50.99991 191.8000       49.96358 75.21061 7.008284 57.91246 9.114965 17.29815       11.49777 
1 1 1 -9  16 49 o 29.40581 7.342644 48.50703       21.06904 74.30399       31.97377 28.70926       28.01030 35.47059 9.149243 23.86170 8.917253 11.60889       12.77600 
1 1 1 -9  16 50 o 27.96257 7.580283 44.35777       21.26345 74.56705       32.89582 22.67741       27.86787 35.26211 9.371413 22.41020 8.762948 12.85191       12.83015 
1 1 1 -9  16 51 o 52.53791 4.534926 141.9528       23.09305 209.1241       36.32960 96.40997       29.91427 62.77715 5.984579 41.40137 7.663908 21.37578       9.723717 
1 1 1 -9  16 52 o 37.02203 6.202791 74.23277       21.68340 129.0142       34.27078 37.66314       28.00061 48.04669 7.534655 25.79938 9.011377 22.24731       11.74632 
1 1 1 -9  16 53 o 39.25983 5.827265 82.51361       21.71491 93.35032       34.11827 75.13489       28.15329 39.62805 9.001546 36.00869 8.175054 3.619358       12.15974 
1 1 1 -9  16 54 o 39.56082 7.112350 87.12126       26.52891 81.85521       32.85892 96.98000       44.95952 36.90654 9.143323 38.43017 11.24177 -1.523632      14.49061 
1 1 1 -9  16 55 o 68.43989 3.729534 237.4118       24.89005 238.3496       28.39402 234.3000       51.72184 68.21075 4.274214 63.67403 8.511608 4.536720       9.524514 
1 1 1 -9  16 56 o 41.32452 6.051373 92.34930       23.75229 92.34930       23.75229 0.000000       0.000000 41.32452 6.051373 ?        ?        ?              ?        
1 1 1 -9  16 57 o 22.56777 7.907895 28.06886       21.57346 22.22068       25.29580 43.67000       41.31579 21.50862 8.366395 27.24274 10.66475 -5.734118      13.55484 
1 1 1 -9  16 58 o 16.94138 7.036803 8.295012       19.20493 -1.638960      21.74771 43.48000       40.92896 15.79714 7.019938 26.87278 10.58613 -11.07564      12.70219 
1 1 1 -9  17 1  o 292.6013 8.145817 4216.286       233.0743 4022.000       320.9756 4433.000       338.9957 284.8853 11.53439 299.0877 11.60149 -14.20242      16.35961 
1 1 1 -9  17 2  o 287.7977 8.031187 4078.470       226.0208 3868.000       310.0988 4317.000       330.1237 279.4149 11.36190 295.1849 11.44723 -15.76999      16.12860 
1 1 1 -9  17 3  o 210.7289 6.220005 2182.217       128.1579 2024.000       176.4199 2359.000       186.4839 202.4968 8.922586 218.6812 8.729657 -16.18443      12.48277 
1 1 1 -9  17 4  o 146.8889 4.874104 1059.247       69.98232 978.7000       99.21612 1139.000       98.72558 140.9211 7.216869 152.1278 6.646059 -11.20673      9.810877 
1 1 1 -9  17 5  o 94.71877 3.562428 440.1802       32.96960 402.7712       42.84377 494.5000       51.62716 90.49713 4.854438 100.2611 5.279256 -9.763962      7.171897 
1 1 1 -9  17 6  o 138.5222 3.404704 940.0572       46.16415 870.8144       65.50153 1008.396       65.07252 133.1485 5.034913 143.3317 4.644328 -10.18315      6.849827 
1 1 1 -9  17 7  o 79.67907 4.940410 312.5856       38.34175 312.5856       38.34175 0.000000       0.000000 79.67907 4.940410 ?        ?        ?              ?        
1 1 1 -9  17 8  o 180.3497 4.592571 1596.010       81.00728 1567.423       98.43343 1656.000       142.5954 178.6084 5.637399 183.2376 7.969376 -4.629196      9.761722 
1 1 1 -9  17 9  o 135.0594 3.967022 894.8528       52.38716 881.7521       63.67365 922.3000       92.16425 133.9865 4.863102 136.7938 6.905527 -2.807297      8.446068 
1 1 1 -9  17 10 o 51.38428 4.860473 130.6712       24.15585 112.9256       28.86941 172.1000       44.11074 47.52269 6.366266 58.60407 7.889979 -11.08138      10.13810 
1 1 1 -9  17 11 o 178.5835 4.446388 1563.970       77.72395 1699.000       141.3581 1505.458       93.05227 185.5876 7.798923 175.0407 5.437619 10.54692       9.507414 
1 1 1 -9  17 12 o 141.7221 3.424417 984.2037       47.50403 955.0605       67.65264 1012.548       66.71880 139.4261 4.965102 143.5886 4.753582 -4.162491      6.873775 
1 1 1 -9  17 13 o 382.5555 7.312665 7203.909       273.8270 7501.675       399.0269 6938.875       376.4576 389.0661 10.48742 374.2654 10.28590 14.80069       14.68965 
1 1 1 -9  17 14 o 85.23649 4.499575 357.3588       37.40779 325.0000       66.40647 372.4000       45.27463 80.72498 8.533207 86.92921 5.346745 -6.204231      10.06992 
1 1 1 -9  17 15 o 158.3298 4.300497 1230.390       66.58632 1185.000       118.7965 1251.183       80.40374 154.8588 7.862948 159.5640 5.154723 -4.705246      9.401974 
1 1 1 -9  17 16 o 247.1850 5.772692 3002.201       139.6712 2953.000       243.3602 3026.368       170.5582 243.9207 10.21544 247.8420 7.037713 -3.921249      12.40502 
1 1 1 -9  17 17 o 158.6401 5.135884 1237.000       79.64556 0.000000       0.000000 1237.000       79.64556 ?        ?        158.6401 5.135884 ?              ?        
1 1 1 -9  17 18 o 143.3384 4.911911 1009.887       68.81405 0.000000       0.000000 1009.887       68.81405 ?        ?        143.3384 4.911911 ?              ?        
1 1 1 -9  17 19 o 207.5345 4.360273 2113.512       88.57481 2043.167       123.4605 2188.121       127.1483 203.6844 6.199687 210.7987 6.168845 -7.114243      8.745900 
1 1 1 -9  17 20 o 152.8552 3.625491 1145.723       54.24419 1086.772       75.43488 1208.846       78.05808 148.6297 5.193117 156.7798 5.093288 -8.150085      7.273930 
1 1 1 -9  17 21 o 238.5199 4.851888 2794.624       113.2770 2863.727       163.2026 2730.385       157.3531 240.8944 6.928603 235.2391 6.841024 5.655319       9.736794 
1 1 1 -9  17 22 o 120.1005 3.302032 707.7999       38.78109 685.3732       54.22232 731.2866       55.48911 118.0201 4.703123 121.9213 4.658238 -3.901123      6.619558 
1 1 1 -9  17 23 o 159.2456 4.326852 1246.395       67.38188 1275.000       122.9927 1234.128       80.54495 160.2889 7.863161 158.3095 5.204944 1.979401       9.429780 
1 1 1 -9  17 24 o 260.5286 6.058754 3347.317       154.5058 3272.000       266.9733 3385.246       189.4572 255.3242 10.70618 261.4071 7.411843 -6.082916      13.02143 
1 1 1 -9  17 25 o 145.7025 4.187080 1044.116       59.65322 902.2000       102.7994 1116.166       73.24701 134.5872 7.837251 150.4985 4.979086 -15.91135      9.285139 
1 1 1 -9  17 26 o 127.6090 3.357510 799.9067       41.90129 824.3101       60.09211 776.8136       58.45649 129.3048 4.755949 125.5171 4.766653 3.787682       6.733501 
1 1 1 -9  17 27 f 160.9925 4.407086 1276.862       69.38327 1112.000       117.4451 1365.249       85.99400 149.0684 8.079212 166.2369 5.291613 -17.16850      9.657889 
1 1 1 -9  17 28 o 190.8136 4.870589 1797.655       90.89539 1593.000       152.0135 1911.546       113.4011 177.8796 8.757637 196.3680 5.906558 -18.48833      10.56332 
1 1 1 -9  17 29 o 74.12411 4.382195 271.8593       31.65301 167.8000       62.66504 307.5033       36.67565 56.10687 11.78592 78.77138 4.779158 -22.66451      12.71803 
1 1 1 -9  17 30 o 77.26693 3.324072 294.1618       25.08148 291.0013       33.71891 298.0765       37.52706 76.63313 4.515227 77.46101 4.975745 -0.8278885     6.719026 
1 1 1 -9  17 31 o 155.2621 3.685252 1187.729       56.00655 1227.398       80.24751 1150.056       78.20251 157.2224 5.221723 152.1676 5.258301 5.054855       7.410541 
1 1 1 -9  17 32 o 70.55736 5.666873 249.5463       38.80854 229.4000       64.28316 261.1000       48.68093 65.87950 10.30630 71.73911 7.022459 -5.859604      12.47135 
1 1 1 -9  17 33 o 20.93967 8.360909 12.49380       25.85777 30.70000       56.61202 7.694235       29.06696 30.66821 12.32817 20.92331 8.670913 9.744902       15.07211 
1 1 1 -9  17 34 o 87.11965 4.303619 376.9879       36.58557 365.8000       75.48884 380.4225       41.82599 83.56903 9.390821 87.32344 4.913199 -3.754410      10.59844 
1 1 1 -9  17 35 f 86.21154 4.986609 371.5757       41.90054 0.000000       0.000000 371.5757       41.90054 ?        ?        86.21154 4.986609 ?              ?        
1 1 1 -9  17 36 o 85.27170 4.381341 362.1734       36.44682 322.8000       72.01266 375.7322       42.25891 77.93907 9.645098 86.62954 5.004940 -8.690468      10.86634 
1 1 1 -9  17 37 o 54.69575 5.481611 151.4876       28.95219 160.5000       62.70235 149.0455       32.64002 53.10652 12.30378 53.96463 6.297471 -0.8581123     13.82176 
1 1 1 -9  17 38 f 16.46364 7.371371 -8.527130      24.45511 -39.09000      56.72215 -1.548987      27.10351 22.55939 10.51292 18.50014 8.039701 4.059248       13.23474 
1 1 1 -9  17 39 o 21.96438 7.025293 24.51278       17.06564 47.34119       21.49546 -14.40833      28.06736 29.73071 7.412459 16.89078 7.696557 12.83993       10.68558 
1 1 1 -9  17 40 o 54.62483 3.983991 149.3971       21.15526 177.5468       29.08381 117.7688       30.82849 59.17936 5.069611 47.40963 6.840876 11.76973       8.514607 
1 1 1 -9  17 41 f 39.37780 9.522350 87.48243       36.29655 140.3000       56.51913 50.41000       47.35129 48.47903 11.98053 31.17514 11.60522 17.30389       16.67975 
1 1 1 -9  17 42 o 42.78841 5.293815 94.36163       21.69936 106.1788       24.56233 52.35000       46.31247 45.26308 5.667864 31.16238 11.49994 14.10070       12.82082 
1 1 1 -9  17 43 o 73.62245 4.085069 272.6463       29.32310 289.7202       35.23773 234.2000       52.87733 75.52074 4.791601 65.40984 8.456574 10.11089       9.719727 
1 1 1 -9  17 44 o 62.13437 4.338032 195.4038       26.21768 199.4319       31.05068 185.4000       48.93274 62.36928 5.131560 57.57509 8.975337 4.794189       10.33874 
1 1 1 -9  17 45 o 50.93417 6.797578 138.4000       33.04453 138.4000       33.04453 0.000000       0.000000 50.93417 6.797578 ?        ?        ?              ?        
1 1 1 -9  17 46 o 20.06551 7.691179 17.09359       21.15006 19.42433       24.22457 9.620000       43.37838 21.27972 8.211854 23.49305 10.19052 -2.213326      13.08745 
1 1 1 -9  17 47 o 39.69773 5.870214 83.42677       22.12314 172.7000       36.57956 31.93998       27.77959 56.79041 6.709907 24.73093 8.940601 32.05948       11.17843 
1 1 1 -9  17 48 o 25.05804 7.346718 34.88966       19.18287 21.09910       28.13793 46.86502       26.22078 22.24524 8.773047 28.53450 8.644239 -6.289263      12.31622 
1 1 1 -9  17 49 o 16.09438 6.821182 3.987608       18.61702 -1.889953      28.09776 8.587221       24.85614 18.03358 7.998415 18.89890 7.938756 -0.8653183     11.26936 
1 1 1 -9  17 50 o 47.81924 4.604033 117.9876       21.28394 173.9133       33.02038 78.23697       27.83869 57.18331 5.988072 37.01002 7.923665 20.17329       9.931841 
1 1 1 -9  17 51 o 29.95803 6.814237 49.90111       19.52946 55.73613       30.23593 45.72426       25.58154 30.50500 9.291021 28.02556 8.548072 2.479441       12.62508 
1 1 1 -9  17 52 o 51.76179 5.430411 140.9530       27.10449 162.8677       33.74359 101.1000       45.50452 54.96856 6.390485 39.33858 11.25113 15.62997       12.93932 
1 1 1 -9  17 53 o 32.41282 6.157522 57.25324       18.82161 75.89553       21.09271 -15.60000      41.69723 37.55548 5.934849 19.72242 9.129869 17.83306       10.88930 
1 1 1 -9  17 54 o 70.34057 4.473783 254.3299       30.64295 279.9406       37.94313 206.3000       51.96116 73.07916 5.341250 58.92391 9.318630 14.15525       10.74085 
1 1 1 -9  17 55 o 31.54768 7.145751 56.32722       21.55220 56.32722       21.55220 0.000000       0.000000 31.54768 7.145751 ?        ?        ?              ?        
1 1 1 -9  17 56 o 18.51388 7.338649 13.79456       19.78083 12.43588       22.49924 18.42000       41.51325 18.83870 7.698750 23.40516 10.05952 -4.566462      12.66746 
1 1 1 -9  17 57 o 18.37612 7.022420 15.42741       17.59668 13.02555       19.46635 26.16000       41.14937 18.16364 7.253744 24.23742 10.19987 -6.073776      12.51616 
1 1 1 -9  17 58 f 25.16687 7.197191 36.81334       18.62129 37.44717       20.78845 34.24000       41.88754 25.20202 7.709446 25.30354 10.44018 -0.1015148     12.97817 
1 1 1 -9  18 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  18 2  o 211.3811 5.113338 2192.197       105.7978 2242.426       133.1005 2106.000       174.3602 213.5493 6.374729 206.5349 8.643883 7.014496       10.74029 
1 1 1 -9  18 3  o 278.9414 5.501869 3819.014       150.2206 3763.768       211.6176 3875.131       213.2801 276.4010 7.829673 280.4760 7.776206 -4.074982      11.03509 
1 1 1 -9  18 4  o 112.4238 3.214312 619.6947       35.33512 604.8980       52.92222 631.5970       47.46486 110.9400 4.885511 113.4206 4.283069 -2.480606      6.497146 
1 1 1 -9  18 5  o 38.32602 4.923639 73.23573       18.04464 68.55728       31.05676 75.62000       22.17090 36.56536 8.786815 38.78447 6.036421 -2.219116      10.66051 
1 1 1 -9  18 6  o 228.7358 4.664872 2566.124       104.4432 2554.511       148.7678 2577.411       146.6646 227.8650 6.677191 228.9070 6.552503 -1.041977      9.355222 
1 1 1 -9  18 7  f 154.8509 3.614740 1175.095       54.78946 1102.890       77.48225 1247.307       77.48576 149.8132 5.292105 159.3678 4.973328 -9.554520      7.262256 
1 1 1 -9  18 8  o 246.6649 5.771147 2988.005       139.3400 3085.097       174.6544 2818.000       231.1098 250.3140 7.135619 238.5485 9.919371 11.76546       12.21929 
1 1 1 -9  18 9  o 87.33575 3.894811 374.6390       33.21167 359.1281       40.71115 405.5000       57.42479 85.41521 4.889792 90.59026 6.519678 -5.175056      8.149617 
1 1 1 -9  18 10 o 95.61086 4.560460 449.4106       42.55673 489.2000       60.36726 410.1000       60.00301 99.57833 6.224550 91.06532 6.780184 8.513008       9.204124 
1 1 1 -9  18 11 o 124.2663 3.942595 757.8149       47.89518 739.9477       58.32788 794.8000       83.91898 122.7033 4.866039 126.9354 6.778742 -4.232048      8.344440 
1 1 1 -9  18 12 o 200.3064 4.872904 1968.953       95.54082 2043.144       121.5471 1849.000       154.5527 203.8001 6.099904 193.4681 8.179790 10.33192       10.20381 
1 1 1 -9  18 13 o 130.0034 3.820035 829.2711       48.55756 827.5432       62.05476 832.0000       77.98450 129.7615 4.894433 129.9542 6.148156 -0.1927795     7.858454 
1 1 1 -9  18 14 o 199.9106 4.904267 1961.555       95.96575 1929.000       169.3841 1976.945       116.4601 197.4278 8.787143 200.4716 5.941521 -3.043808      10.60734 
1 1 1 -9  18 15 o 164.2803 4.383728 1324.922       70.42827 1139.000       119.6729 1423.433       87.11059 151.7282 8.087140 170.1721 5.235926 -18.44385      9.634145 
1 1 1 -9  18 16 f 157.8834 5.111591 1225.384       78.89072 0.000000       0.000000 1225.384       78.89072 ?        ?        157.8834 5.111591 ?              ?        
1 1 1 -9  18 17 o 85.67695 4.443706 361.1924       37.13889 0.000000       0.000000 361.1924       37.13889 ?        ?        85.67695 4.443706 ?              ?        
1 1 1 -9  18 18 o 36.59435 8.310246 68.80099       29.08555 60.49000       57.56558 71.65000       33.70411 36.78880 12.91559 37.30247 9.271110 -0.5136681     15.89862 
1 1 1 -9  18 19 o 279.7543 5.530642 3848.133       151.4462 3789.664       212.7594 3908.187       215.6240 276.8587 7.858942 281.1640 7.842517 -4.305298      11.10261 
1 1 1 -9  18 20 o 251.2417 5.060631 3102.423       124.4522 3055.262       174.9789 3150.703       177.0433 248.6866 7.195881 252.5529 7.169034 -3.866241      10.15755 
1 1 1 -9  18 21 o 79.32056 3.293211 309.0543       25.51326 295.0102       35.32709 324.3650       36.88575 77.34650 4.688189 81.11957 4.665115 -3.773064      6.613804 
1 1 1 -9  18 22 o 228.2821 5.454387 2565.328       121.8776 2599.000       216.8469 2549.780       147.3541 228.1413 9.732900 227.1801 6.633628 0.9611359      11.77855 
1 1 1 -9  18 23 o 220.7823 4.567507 2396.425       98.70741 2405.351       140.2519 2387.665       138.9440 220.5911 6.502629 219.7903 6.465427 0.8007660      9.169839 
1 1 1 -9  18 24 o 88.74669 3.927744 387.6609       34.03489 338.9000       65.78270 405.4847       39.77183 82.13100 8.296350 90.68957 4.494353 -8.558571      9.435498 
1 1 1 -9  18 25 o 111.2517 3.920384 609.0439       42.62479 496.1000       76.40878 660.0717       51.35886 99.53333 7.907708 115.7186 4.543081 -16.18530      9.119838 
1 1 1 -9  18 26 o 65.43021 3.384330 210.8233       21.60125 182.1797       28.80086 247.6554       32.65918 60.59348 4.897643 70.73338 4.744535 -10.13990      6.818909 
1 1 1 -9  18 27 o 144.9875 3.514585 1033.289       49.87819 971.7659       68.66487 1102.018       72.57420 140.2045 5.011474 149.3278 4.972116 -9.123291      7.059519 
1 1 1 -9  18 28 o 169.1320 3.839178 1408.248       63.55801 1460.600       92.03944 1360.528       87.87434 171.6401 5.485384 165.6729 5.426136 5.967239       7.715724 
1 1 1 -9  18 29 o 110.4499 3.241546 600.3790       35.00691 542.5724       47.45154 669.4138       51.85557 104.6841 4.642425 116.3213 4.563242 -11.63713      6.509630 
1 1 1 -9  18 30 o 33.54192 5.221989 57.07630       16.58685 60.64626       20.51060 50.32872       28.19812 34.34570 6.334293 31.04970 8.849195 3.296000       10.88262 
1 1 1 -9  18 31 o 54.57635 4.171972 148.0361       22.11809 149.9695       26.01952 143.0000       41.99453 54.77573 4.904797 52.42013 8.473363 2.355602       9.790552 
1 1 1 -9  18 32 o 99.66077 3.271456 489.8707       31.87004 518.5251       44.90837 460.7973       45.23550 102.1900 4.500691 96.22048 4.818254 5.969521       6.593314 
1 1 1 -9  18 33 o 81.03036 3.677092 324.9330       29.08876 358.3000       43.64348 298.2621       39.01928 84.60713 5.296516 77.19923 5.193916 7.407906       7.418211 
1 1 1 -9  18 34 o 100.2855 3.612049 497.5555       35.39875 460.3000       53.28414 526.9882       47.36057 95.67993 5.715508 102.8271 4.718045 -7.147141      7.411274 
1 1 1 -9  18 35 o 74.73020 3.436172 276.4326       25.06764 257.7662       33.53755 300.0631       37.73439 71.77053 4.801584 77.38569 5.008520 -5.615158      6.938334 
1 1 1 -9  18 36 o 121.1772 3.418445 726.2049       40.50620 777.8937       58.55680 678.7767       56.09152 124.7926 4.802791 116.4960 4.930183 8.296638       6.882842 
1 1 1 -9  18 37 o 45.53596 4.407545 104.1762       19.39992 103.3458       25.37270 105.3449       30.10039 44.89682 5.917509 44.91548 7.080771 -0.1866150E-01 9.227905 
1 1 1 -9  18 38 o 75.94278 4.433384 288.6249       32.81220 311.4000       68.56866 281.8606       37.36851 76.10685 9.404259 74.76340 5.137581 1.343445       10.71610 
1 1 1 -9  18 39 o 21.39315 9.139430 4.957376       33.88747 -34.97000      53.51798 31.68000       43.78283 21.90214 10.20832 27.79402 10.94900 -5.891874      14.96965 
1 1 1 -9  18 40 o 22.04500 8.189577 21.59340       23.55723 -12.72000      53.07629 30.01105       26.28839 23.64436 10.69863 24.63947 8.721282 -0.9951153     13.80295 
1 1 1 -9  18 41 o 32.65787 7.645274 58.42035       24.00527 94.94000       54.61183 49.67437       26.72561 39.29143 12.56744 29.88314 8.646091 9.408283       15.25436 
1 1 1 -9  18 42 o 19.40126 7.738002 12.69480       22.12370 50.42000       53.50404 4.914279       24.29825 31.24578 12.16379 18.40686 7.796643 12.83892       14.44803 
1 1 1 -9  18 43 o 12.29599 5.914515 -28.24436      20.90389 -41.02000      51.09112 -25.67568      22.90919 20.34274 9.633669 13.38688 6.371591 6.955865       11.55010 
1 1 1 -9  18 44 o 34.58824 8.122248 67.02441       27.02634 101.5000       51.01037 53.57000       31.86655 40.18634 12.03097 30.54537 9.579140 9.640970       15.37869 
1 1 1 -9  18 45 o 27.02851 8.020433 40.72904       22.74841 17.03000       49.58540 47.04673       25.60161 25.58751 10.99576 28.83859 8.495991 -3.251078      13.89563 
1 1 1 -9  18 46 o 44.26776 5.272409 101.9215       22.39719 140.3000       33.32618 70.30913       30.24616 51.08356 6.836441 34.87171 8.848260 16.21185       11.18162 
1 1 1 -9  18 47 o 31.19604 6.397045 52.83959       18.87750 68.62286       26.18489 35.75875       27.23999 34.89568 7.855980 25.59020 8.891284 9.305479       11.86471 
1 1 1 -9  18 48 o 34.37890 6.967001 65.33121       22.64069 79.77123       26.83480 29.66000       42.17678 37.74402 7.527593 25.78144 10.53896 11.96259       12.95123 
1 1 1 -9  18 49 o 29.57076 7.650964 49.88399       22.31268 70.40116       26.81219 3.672000       40.23934 35.03466 7.995484 21.66367 9.592009 13.37099       12.48737 
1 1 1 -9  18 50 o 17.75862 7.414675 7.729970       21.48393 3.838708       25.49164 17.27000       39.91420 18.16528 7.845708 23.42083 9.959446 -5.255548      12.67855 
1 1 1 -9  18 51 o 16.27895 7.159630 -0.7635458     22.06492 -0.2020431     26.40830 -2.062000      40.15853 17.71283 7.809826 20.85266 9.382393 -3.139833      12.20749 
1 1 1 -9  18 52 o 29.46361 7.981216 50.38945       23.58275 25.85408       28.14569 108.2000       43.20352 22.96877 8.854749 41.23680 10.63457 -18.26804      13.83838 
1 1 1 -9  18 53 o 42.90552 6.140975 99.33950       25.05574 117.7631       30.48201 60.96000       43.99530 46.19798 6.956459 30.94777 11.24248 15.25022       13.22065 
1 1 1 -9  18 54 o 43.54894 7.577073 107.4142       31.12633 107.4142       31.12633 0.000000       0.000000 43.54894 7.577073 ?        ?        ?              ?        
1 1 1 -9  18 55 o 38.62162 8.065312 86.76128       29.50455 107.0000       39.59742 61.50000       44.23878 41.37399 9.908522 30.73293 11.25671 10.64106       14.99641 
1 1 1 -9  18 56 o 34.79747 7.412432 69.60283       24.47360 72.40115       29.69752 63.68000       43.20518 34.50489 8.774390 30.88260 11.15189 3.622290       14.18994 
1 1 1 -9  18 57 o 19.89807 7.964862 17.13779       23.52557 3.834351       28.09534 48.35000       43.03428 18.44302 8.096254 27.71567 10.87408 -9.272648      13.55710 
1 1 1 -9  19 1  o 78.84481 3.716850 305.3596       28.60422 0.000000       0.000000 305.3596       28.60422 ?        ?        78.84481 3.716850 ?              ?        
1 1 1 -9  19 2  o 289.6968 6.597193 4126.196       187.0722 3572.000       296.4290 4493.004       241.1616 268.1254 11.32022 301.8240 8.170485 -33.69861      13.96081 
1 1 1 -9  19 3  o 215.3121 5.157632 2275.280       108.6989 2295.000       192.6581 2266.070       131.6551 215.4038 9.158410 214.6412 6.273133 0.7626190      11.10084 
1 1 1 -9  19 4  f 148.6333 4.962947 1085.240       72.10286 1040.000       104.7326 1126.000       99.41292 145.1665 7.395077 151.1685 6.735462 -6.001999      10.00268 
1 1 1 -9  19 5  o 247.3367 4.988775 3002.017       120.7783 2893.564       168.5386 3116.509       173.1680 242.3922 7.111224 251.5802 7.039016 -9.188019      10.00586 
1 1 1 -9  19 6  o 380.6937 7.280190 7133.976       271.2843 7071.201       382.3314 7197.626       384.9902 377.7717 10.34936 381.1455 10.32888 -3.373749      14.62173 
1 1 1 -9  19 7  o 53.16613 3.649668 139.1931       18.87783 142.9779       35.20838 137.6660       22.36426 53.47660 6.885946 52.80180 4.366118 0.6748047      8.153481 
1 1 1 -9  19 8  o 163.9861 3.732694 1318.167       59.91502 1331.759       87.83466 1306.338       81.93764 164.5933 5.459450 163.0542 5.140296 1.539139       7.498549 
1 1 1 -9  19 9  o 15.82154 7.148549 -12.88927      23.59471 -40.11315      30.41861 28.23000       37.38411 15.33358 7.310423 27.51665 10.29806 -12.18307      12.62902 
1 1 1 -9  19 10 o 143.1433 4.135685 1005.650       57.88542 1016.723       71.99279 985.4000       97.35696 143.8219 5.122144 141.3103 7.060980 2.511566       8.723176 
1 1 1 -9  19 11 o 205.4447 6.217170 2077.129       124.8803 2077.129       124.8803 0.000000       0.000000 205.4447 6.217170 ?        ?        ?              ?        
1 1 1 -9  19 12 o 225.0056 6.644840 2493.317       146.1868 2493.317       146.1868 0.000000       0.000000 225.0056 6.644840 ?        ?        ?              ?        
1 1 1 -9  19 13 o 80.52168 3.261114 318.2715       25.64990 277.1835       38.95313 349.7254       34.08184 74.93230 5.346004 84.33994 4.141078 -9.407639      6.762269 
1 1 1 -9  19 14 o 67.02318 3.418340 220.7591       22.35166 181.5453       34.68071 248.6209       29.23292 60.47831 5.934780 71.06589 4.221493 -10.58757      7.283036 
1 1 1 -9  19 15 o 103.3559 4.312088 525.0680       43.52854 0.000000       0.000000 525.0680       43.52854 ?        ?        103.3559 4.312088 ?              ?        
1 1 1 -9  19 16 o 200.8299 4.958529 1981.075       97.47369 1899.000       171.8199 2020.025       118.3637 195.6202 8.997423 202.5426 5.976832 -6.922470      10.80167 
1 1 1 -9  19 17 o 146.5993 4.195913 1055.491       60.14749 890.6000       106.0051 1133.783       73.04408 133.9879 8.120799 151.8458 4.920963 -17.85788      9.495433 
1 1 1 -9  19 18 o 124.9090 3.975470 766.3231       48.54392 703.8000       91.25116 791.0015       57.32929 119.0689 7.873698 126.8272 4.625792 -7.758347      9.131981 
1 1 1 -9  19 19 o 148.6018 3.581987 1083.193       52.10199 1055.688       74.25014 1109.874       73.12933 146.4311 5.188532 150.1812 4.981628 -3.750046      7.192877 
1 1 1 -9  19 20 o 65.46731 4.415257 211.4811       28.12803 215.6000       38.56607 206.8000       41.11415 65.87312 6.048705 64.40705 6.615508 1.466072       8.963915 
1 1 1 -9  19 21 o 64.88762 4.414175 207.8367       27.86917 210.7000       37.25837 204.2000       41.99053 65.11737 5.909784 63.93637 6.814507 1.181000       9.020147 
1 1 1 -9  19 22 o 174.6972 3.878637 1498.779       66.32408 1409.297       91.38728 1598.361       96.40671 169.0146 5.531473 180.0198 5.477550 -11.00519      7.784648 
1 1 1 -9  19 23 o 197.6790 4.922600 1924.386       95.24922 1738.000       160.2977 2026.111       118.4227 186.4012 8.810556 202.4524 5.982494 -16.05125      10.64970 
1 1 1 -9  19 24 o 98.14606 3.877534 474.1825       37.17741 359.3000       68.90522 521.3592       44.15594 84.43243 8.450972 102.8369 4.396809 -18.40442      9.526324 
1 1 1 -9  19 25 o 147.3163 4.194899 1069.020       60.42771 921.0000       103.5191 1145.527       74.42348 135.6304 7.830824 152.2966 4.999221 -16.66621      9.290534 
1 1 1 -9  19 26 o 189.1291 4.107472 1761.419       76.03950 1650.670       104.1191 1888.002       111.3132 182.4277 5.838392 195.1156 5.834942 -12.68791      8.254293 
1 1 1 -9  19 27 o 68.45494 3.310654 230.9045       22.11746 195.4032       29.83497 274.2188       32.95486 62.69350 4.900713 74.40325 4.546738 -11.70975      6.685044 
1 1 1 -9  19 28 o 77.37786 4.132124 296.1513       31.18304 222.2000       63.55193 319.6014       35.78724 65.12738 10.31224 80.29839 4.572078 -15.17101      11.28034 
1 1 1 -9  19 29 o 96.00150 3.224183 453.9351       30.25431 454.6884       42.27607 453.1443       43.31496 95.78899 4.521687 95.59376 4.643046 0.1952286      6.481013 
1 1 1 -9  19 30 o 89.16862 3.630654 392.6990       31.62234 417.0361       39.36164 348.4000       53.10509 91.70270 4.397974 83.10956 6.581683 8.593140       7.915853 
1 1 1 -9  19 31 o 70.33695 3.410822 244.4648       23.41273 237.4481       31.59389 253.0116       34.86908 69.01996 4.704640 71.16288 5.038462 -2.142921      6.893456 
1 1 1 -9  19 32 o 96.76092 3.574566 462.8227       33.79733 468.4000       52.13197 458.7791       44.38943 96.67875 5.532018 95.97645 4.739737 0.7023010      7.284801 
1 1 1 -9  19 33 o 47.20311 4.426090 111.5471       20.21163 135.5000       27.35053 82.72873       29.99995 51.77800 5.479576 39.54836 8.024351 12.22964       9.716788 
1 1 1 -9  19 34 o 58.26498 3.665020 168.5547       20.79622 167.9825       27.43558 169.3274       31.88370 57.84582 4.891271 57.81988 5.707969 0.2593613E-01  7.517010 
1 1 1 -9  19 35 o 42.91023 4.364409 92.43787       18.07645 91.23431       23.07483 94.34984       29.08342 42.25133 5.726749 42.46676 7.257131 -0.2154312     9.244544 
1 1 1 -9  19 36 o 54.80448 3.810445 149.6223       20.31350 158.5687       27.18666 138.3148       30.56433 56.07888 5.005354 51.96187 6.126964 4.117012       7.911590 
1 1 1 -9  19 37 o 17.36971 6.582135 11.54260       15.37834 0.6875973      19.12996 31.37189       25.85548 16.01981 6.855914 25.17874 8.666519 -9.158936      11.05044 
1 1 1 -9  19 38 o 21.84066 7.260191 23.86827       18.13840 17.88076       19.88051 53.61000       44.30859 20.36654 7.531266 31.87468 11.31857 -11.50814      13.59522 
1 1 1 -9  19 39 o 76.93321 4.186008 296.7141       31.40371 365.8000       67.64491 277.7339       35.45607 82.55696 8.491928 74.09134 4.916781 8.465622       9.812624 
1 1 1 -9  19 40 o 21.41753 6.545715 24.04059       14.99060 31.07338       19.07254 12.67444       24.24665 24.13794 7.384514 20.02081 8.061084 4.117132       10.93216 
1 1 1 -9  19 41 o 17.16093 6.520029 11.70486       15.11332 19.99291       20.03690 0.7662234      23.01896 20.78285 7.581492 17.23508 7.449750 3.547768       10.62910 
1 1 1 -9  19 42 o 18.25148 6.652368 15.04041       15.42196 21.48041       21.41569 8.103336       22.22682 21.39014 7.832486 18.36571 7.594016 3.024431       10.90949 
1 1 1 -9  19 43 o 25.69616 6.696740 35.94159       17.01171 47.51328       22.04331 18.90000       26.75059 29.25352 7.622639 21.75955 8.562456 7.493971       11.46387 
1 1 1 -9  19 44 o 40.39121 4.483069 83.47497       17.42611 93.63338       23.09850 70.05527       26.54862 42.25438 5.732486 35.44278 7.858770 6.811592       9.727366 
1 1 1 -9  19 45 o 26.71697 6.548654 38.99804       16.99052 29.80000       22.82011 50.43925       25.45107 23.72002 8.142749 29.75145 8.382831 -6.031437      11.68658 
1 1 1 -9  19 46 o 42.84179 4.343839 93.88121       17.96427 111.3144       24.72229 74.37894       26.14828 46.06535 5.597624 36.53148 7.561865 9.533867       9.408252 
1 1 1 -9  19 47 o 28.30310 7.702456 45.41735       21.90411 45.00000       24.99225 46.80000       45.48972 27.97867 8.431444 28.97011 11.23313 -0.9914360     14.04537 
1 1 1 -9  19 48 o 26.05982 5.968651 36.99270       14.89674 40.99239       16.00517 11.08000       40.73833 27.39848 6.122353 22.74414 9.870547 4.654337       11.61512 
1 1 1 -9  19 49 o 22.71584 6.401947 28.39708       14.84214 25.93348       15.91586 44.83000       41.10574 21.79075 6.759999 28.04503 10.72917 -6.254276      12.68119 
1 1 1 -9  19 50 o 33.64944 5.203624 59.87585       16.58667 52.11519       17.97119 104.5000       43.09356 30.90614 6.156878 40.51538 10.70688 -9.609241      12.35089 
1 1 1 -9  19 51 o 15.59174 6.260991 7.857807       14.58504 14.73432       15.63685 -38.16000      40.45090 17.92162 6.669496 17.42163 8.339733 0.4999943      10.67864 
1 1 1 -9  19 52 o 27.73670 5.915270 41.97425       15.56924 42.44811       16.78337 39.05000       41.69271 27.71548 6.326355 26.87860 10.65429 0.8368740      12.39099 
1 1 1 -9  19 53 o 19.01080 6.899613 17.77804       16.56508 17.77804       16.56508 0.000000       0.000000 19.01080 6.899613 ?        ?        ?              ?        
1 1 1 -9  19 54 o 48.13496 4.177573 118.9606       19.48827 128.7157       21.60135 76.29000       45.17830 49.91773 4.468199 33.67631 11.45977 16.24142       12.30004 
1 1 1 -9  19 55 o 26.86829 6.015536 39.87801       15.42581 38.22891       16.56354 50.66000       42.35249 26.08213 6.509051 28.54002 10.89752 -2.457888      12.69345 
1 1 1 -9  19 56 o 48.88158 3.838961 122.3658       18.22085 122.4133       19.78123 122.1000       46.80623 48.68657 4.191626 42.37398 11.13990 6.312592       11.90240 
1 1 1 -9  19 57 o 27.46195 5.776920 41.71783       15.03578 33.93996       15.99646 100.7000       44.05079 24.38310 6.559726 37.91119 11.13790 -13.52809      12.92605 
1 1 1 -9  20 1  o 244.3345 5.749341 2932.842       137.5020 2960.000       241.4484 2919.807       167.2775 244.2959 10.11913 243.4646 7.026677 0.8312683      12.31954 
1 1 1 -9  20 2  o 255.7153 5.128152 3209.970       128.3583 3460.000       272.6694 3138.789       145.4866 263.9938 10.57343 252.7442 5.880792 11.24965       12.09881 
1 1 1 -9  20 3  o 486.2177 10.64291 11721.69       506.5209 0.000000       0.000000 11721.69       506.5209 ?        ?        486.2177 10.64291 ?              ?        
1 1 1 -9  20 4  o 134.2961 3.961098 885.0592       52.01282 809.7000       93.59793 918.7278       62.56205 127.9896 7.504034 136.7569 4.680540 -8.767311      8.844092 
1 1 1 -9  20 5  o 99.66480 3.740258 487.6193       36.42322 615.9000       78.74694 452.7057       41.08187 111.6058 7.247626 95.96890 4.384928 15.63692       8.470873 
1 1 1 -9  20 6  o 94.34720 5.118406 438.2747       47.09129 362.7000       70.32786 499.7000       63.40340 85.30344 8.537357 100.5903 6.473846 -15.28683      10.71434 
1 1 1 -9  20 7  o 281.3947 5.556301 3889.740       153.0410 3943.106       220.1854 3839.863       212.8655 282.6565 7.966300 278.9761 7.802951 3.680450       11.15114 
1 1 1 -9  20 8  o 129.0522 3.402467 816.8109       42.94241 805.5440       64.73802 825.6634       57.38428 127.9807 5.178531 129.6453 4.528948 -1.664658      6.879576 
1 1 1 -9  20 9  o 208.9041 4.386024 2140.952       89.68588 2118.514       128.1025 2162.524       125.6043 207.4465 6.316139 209.6278 6.127959 -2.181366      8.800312 
1 1 1 -9  20 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  20 11 o 165.4234 5.539795 1346.185       89.57435 1346.185       89.57435 0.000000       0.000000 165.4234 5.539795 ?        ?        ?              ?        
1 1 1 -9  20 12 o 35.69295 7.666967 65.23320       25.98690 54.70150       32.71872 83.23000       42.77054 32.90355 9.580202 40.21756 10.68461 -7.314014      14.35065 
1 1 1 -9  20 13 o 138.5015 3.905664 941.6184       52.89586 1052.000       99.55071 898.1948       62.43941 145.9390 6.989256 135.1735 4.726392 10.76549       8.437326 
1 1 1 -9  20 14 o 135.4026 3.858946 900.0095       51.09269 855.6000       88.75357 922.0212       62.48473 131.5722 6.915813 136.9544 4.667958 -5.382217      8.343759 
1 1 1 -9  20 15 o 62.89561 3.778960 194.7264       23.15747 274.3000       46.08515 167.8471       26.78461 74.36134 6.393523 58.27155 4.736755 16.08979       7.957009 
1 1 1 -9  20 16 o 67.31844 4.047902 223.1826       26.54968 191.8000       62.80643 230.0106       29.29590 61.14395 10.89355 68.30553 4.405211 -7.161587      11.75055 
1 1 1 -9  20 17 o 105.7168 3.779252 549.0449       39.04423 553.8000       78.96824 547.5064       44.91882 105.5531 7.696083 105.5026 4.359084 0.5043030E-01  8.844847 
1 1 1 -9  20 18 o 93.15463 5.149063 428.1006       46.76772 432.6000       71.89529 424.8000       61.57631 93.13609 7.962667 92.51205 6.848568 0.6240387      10.50271 
1 1 1 -9  20 19 o 19.80359 6.817806 17.61440       16.00146 17.86856       23.35260 17.38945       21.96965 21.79373 8.142620 21.29820 7.909439 0.4955254      11.35172 
1 1 1 -9  20 20 o 101.0987 3.206316 501.8668       31.68900 489.6258       45.54356 513.3546       44.12034 99.67165 4.681275 102.1008 4.425233 -2.429100      6.441818 
1 1 1 -9  20 21 o 135.7929 4.029436 906.8549       53.49916 924.8000       100.4889 899.7567       63.20042 136.3074 7.561317 135.1257 4.785884 1.181747       8.948643 
1 1 1 -9  20 22 o 43.91484 4.403985 95.81974       18.67535 73.03739       26.11902 119.6498       26.71284 37.73360 7.335956 48.90917 5.685723 -11.17557      9.281363 
1 1 1 -9  20 23 o 69.30340 3.379583 236.4297       22.85664 200.7461       31.57048 275.7365       33.13456 63.59354 5.114906 74.69013 4.553870 -11.09660      6.848357 
1 1 1 -9  20 24 o 55.93165 3.674245 154.4642       20.00416 122.7757       27.47970 190.1878       29.17682 49.48026 5.782716 61.90429 4.853956 -12.42403      7.549881 
1 1 1 -9  20 25 o 152.5596 3.620956 1144.809       54.07158 1143.139       77.16302 1146.420       75.79290 151.9607 5.195303 152.2121 5.094311 -0.2514038     7.276206 
1 1 1 -9  20 26 o 154.4852 4.306743 1178.140       65.06059 996.0000       110.7964 1273.998       80.37774 140.4971 8.090818 160.3667 5.127125 -19.86955      9.578557 
1 1 1 -9  20 27 o 77.22781 4.090341 295.0132       30.80974 273.2000       63.48313 301.7340       35.23788 72.79900 9.107691 77.98847 4.637012 -5.189468      10.22017 
1 1 1 -9  20 28 o 94.36755 4.818592 442.2223       44.36177 394.1000       71.82633 471.9000       56.40601 87.74677 8.467760 97.12427 5.961963 -9.377502      10.35606 
1 1 1 -9  20 29 o 92.76807 3.585374 424.9768       32.49532 400.9791       39.68584 473.8000       56.60620 89.86762 4.526125 97.20679 5.978155 -7.339165      7.498276 
1 1 1 -9  20 30 o 124.8320 3.829891 770.5265       46.74170 786.1109       58.23270 742.3000       78.37017 125.7496 4.739495 121.2943 6.626082 4.455307       8.146643 
1 1 1 -9  20 31 o 89.20406 3.508359 393.3432       30.57364 395.5000       46.52767 391.7043       40.55947 88.86069 5.374406 88.67361 4.689630 0.1870804      7.132802 
1 1 1 -9  20 32 o 51.24995 3.820374 130.6419       19.02699 115.7767       24.34666 153.9657       30.49679 47.86993 5.283830 55.14159 5.733898 -7.271656      7.797207 
1 1 1 -9  20 33 o 72.65118 3.298957 261.0902       23.39865 279.7746       32.14802 240.0415       34.12147 74.90598 4.404047 69.15034 5.076500 5.755630       6.720602 
1 1 1 -9  20 34 o 36.35043 4.826036 67.00815       16.74757 76.11194       21.37529 52.53464       26.95179 38.48696 5.858643 31.28732 8.556073 7.199640       10.36967 
1 1 1 -9  20 35 o 28.59183 5.819452 42.62663       15.73209 42.77716       20.12291 42.38999       25.23070 28.36281 7.228257 28.25472 8.461841 0.1080952      11.12881 
1 1 1 -9  20 36 o 11.85039 5.407596 -8.426979      13.91926 -11.96347      17.16285 -1.630770      23.79232 12.85860 5.918413 17.31984 7.529634 -4.461244      9.577212 
1 1 1 -9  20 37 o 41.04106 5.066768 85.91322       19.92255 98.50562       22.35679 37.35000       43.90447 43.90166 5.310419 28.80643 11.07119 15.09522       12.27892 
1 1 1 -9  20 38 o 51.92919 3.637141 134.7331       18.37059 152.0968       24.98875 114.3124       27.09926 54.82627 4.701746 46.96389 6.034325 7.862377       7.649803 
1 1 1 -9  20 39 o 71.82510 3.245062 256.6006       22.75529 267.5714       31.71460 244.9602       32.66825 72.82957 4.470364 69.49851 4.832342 3.331062       6.582984 
1 1 1 -9  20 40 o 15.04725 5.988258 6.849821       13.22092 10.04847       16.85501 1.734481       21.31491 17.22029 6.790398 16.83325 7.221106 0.3870373      9.912309 
1 1 1 -9  20 41 o 41.17272 5.541519 88.22750       21.76636 93.50000       57.17544 87.33385       23.53881 38.42988 12.89236 40.71570 6.093369 -2.285820      14.25981 
1 1 1 -9  20 42 o 22.39310 6.235091 26.91734       14.16913 32.04856       17.16418 15.94000       25.10506 24.29227 6.897700 20.76827 8.256130 3.524000       10.75834 
1 1 1 -9  20 43 o 59.69268 3.324783 178.1722       19.34957 191.5523       26.45608 162.7825       28.37324 61.40376 4.431551 56.18165 5.219189 5.222111       6.846793 
1 1 1 -9  20 44 o 13.24099 5.826211 -2.309543      14.62713 -9.207000      15.61281 47.20000       41.82935 12.39043 5.681506 29.16929 10.89786 -16.77886      12.28995 
1 1 1 -9  20 45 o 33.57319 4.103368 57.68577       13.20473 51.88760       13.88678 112.4000       42.65855 31.63309 4.621294 43.12098 10.25688 -11.48789      11.24988 
1 1 1 -9  20 46 o 41.20008 3.622685 85.85409       14.46087 87.91383       15.31608 68.94000       43.88994 41.62806 3.800735 33.13915 11.29485 8.488903       11.91719 
1 1 1 -9  20 47 o 18.33280 5.811225 17.63465       11.69838 22.32190       12.23839 -31.99000      39.82121 20.33412 5.840952 17.86505 8.473413 2.469074       10.29152 
1 1 1 -9  20 48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  20 49 f 35.40899 9.256194 75.51155       32.43492 94.10000       49.90813 61.92000       42.67605 37.28510 12.02263 31.33877 11.11009 5.946325       16.37003 
1 1 1 -9  20 50 o 37.66977 9.126507 85.19477       33.29324 27.26000       51.04078 128.1000       43.92410 26.14654 11.19444 45.54812 10.11538 -19.40158      15.08762 
1 1 1 -9  20 51 o 33.66624 9.436799 69.42943       32.34097 81.47000       49.73820 60.61000       42.56833 34.55658 12.01405 30.86793 11.07922 3.688650       16.34278 
1 1 1 -9  20 52 o 20.56516 9.482587 -12.01000      44.34085 -12.01000      44.34085 0.000000       0.000000 20.56516 9.482587 ?        ?        ?              ?        
1 1 1 -9  20 53 o 39.80539 11.04811 104.7000       44.56440 0.000000       0.000000 104.7000       44.56440 ?        ?        39.80539 11.04811 ?              ?        
1 1 1 -9  20 54 o 52.08649 7.068785 151.3292       35.11003 167.8000       52.38922 137.9000       47.30525 50.95180 10.83807 46.19374 10.67617 4.758060       15.21329 
1 1 1 -9  20 55 o 29.74653 9.508792 55.79535       31.26751 60.62000       45.70251 51.55000       42.87105 30.09214 11.35967 28.48840 10.94239 1.603743       15.77270 
1 1 1 -9  20 56 o 22.38426 8.978075 24.44521       29.95397 18.95000       42.69891 29.77000       42.03160 23.21078 10.08889 24.63655 10.33455 -1.425762      14.44260 
1 1 1 -9  21 1  o 242.2833 5.728898 2884.689       135.8629 3058.000       245.6966 2808.354       163.0613 248.1805 10.13538 238.7189 6.985946 9.461639       12.30973 
1 1 1 -9  21 2  o 93.85220 3.378592 432.2596       30.98683 356.8000       69.85262 450.7467       34.57490 84.57804 8.555105 95.81586 3.693443 -11.23782      9.318335 
1 1 1 -9  21 3  o 69.67599 3.503423 238.5635       23.81696 314.6000       63.90064 226.2965       25.66636 79.40257 8.346399 67.82400 3.882332 11.57857       9.205155 
1 1 1 -9  21 4  o 92.86975 3.878000 423.6498       35.17479 442.5000       73.82226 418.1133       40.00838 94.36042 8.070055 92.20687 4.445935 2.153549       9.213693 
1 1 1 -9  21 5  f 143.6517 3.608099 1012.277       50.69341 857.3000       106.6612 1057.499       57.61680 131.5074 8.328889 146.7877 4.013851 -15.28029      9.245615 
1 1 1 -9  21 6  o 89.36068 3.770416 392.2336       32.90522 337.4000       68.95378 408.4029       37.44374 82.17764 8.704502 91.14741 4.208258 -8.969765      9.668391 
1 1 1 -9  21 7  o 107.8504 3.289136 570.6198       34.68182 569.6000       79.77195 570.8575       38.51202 107.1976 7.652880 107.8431 3.653637 -0.6454391     8.480309 
1 1 1 -9  21 8  o 193.6145 4.780280 1840.371       90.59357 1944.000       168.9117 1798.524       107.3379 198.0857 8.733112 191.1839 5.742326 6.901810       10.45187 
1 1 1 -9  21 9  o 56.03021 3.884663 154.7063       21.17310 82.16000       58.86650 165.4861       22.69173 40.84409 13.04609 57.94438 4.025866 -17.10030      13.65313 
1 1 1 -9  21 10 o 47.84710 3.933106 113.0483       18.25785 120.6262       36.76217 110.5671       21.03555 48.80773 7.969740 47.23587 4.608156 1.571861       9.206078 
1 1 1 -9  21 11 o 201.6190 5.010868 1996.995       98.88956 2133.911       126.6331 1783.000       158.3149 208.1123 6.223451 189.6431 8.550609 18.46918       10.57564 
1 1 1 -9  21 12 o 164.1334 5.331158 1325.622       85.53586 1419.000       124.8407 1243.000       117.4310 169.3697 7.549304 158.4873 7.591836 10.88248       10.70645 
1 1 1 -9  21 13 o 68.49705 5.050469 231.7958       33.62365 273.3000       46.52079 186.4000       48.65288 74.20454 6.469487 60.81936 8.396371 13.38519       10.59968 
1 1 1 -9  21 14 o 79.36506 3.315453 309.3845       25.69928 296.1775       40.77996 318.0848       33.09895 77.41331 5.415933 80.38676 4.221318 -2.973457      6.866722 
1 1 1 -9  21 15 o 65.92114 3.482959 213.7352       22.39420 210.6329       36.54579 215.6005       28.33773 65.15448 5.790684 66.11178 4.404165 -0.9572983     7.275211 
1 1 1 -9  21 16 f 130.2549 3.963758 833.6103       50.47797 728.0000       92.68011 878.1512       60.18847 121.0036 7.867616 133.6020 4.609409 -12.59835      9.118444 
1 1 1 -9  21 17 o 71.64559 3.917091 252.7533       27.36554 227.8000       61.80429 258.8385       30.52038 66.92790 9.718039 72.45818 4.322899 -5.530281      10.63615 
1 1 1 -9  21 18 o 118.3701 5.008661 690.7579       57.90115 766.2000       89.90997 637.3000       75.68444 124.1513 7.432645 113.3244 6.855080 10.82684       10.11120 
1 1 1 -9  21 19 o 42.99809 5.570237 92.64919       22.89346 71.01000       35.08132 108.7000       30.21370 36.99645 9.604290 46.38190 6.861805 -9.385452      11.80368 
1 1 1 -9  21 20 o 92.42043 3.222311 419.7006       29.10561 422.8062       43.36619 417.1550       39.26222 92.53882 4.804084 91.98582 4.373138 0.5530014      6.496427 
1 1 1 -9  21 21 o 123.8110 3.336779 753.2095       40.40144 738.9966       58.25788 766.3782       56.07703 122.3620 4.873842 124.6680 4.603311 -2.305962      6.704089 
1 1 1 -9  21 22 o 101.7876 3.834976 510.2148       38.14048 513.4000       74.43320 509.0807       44.41450 101.2122 7.568037 101.5604 4.478817 -0.3482208     8.794031 
1 1 1 -9  21 23 o 151.9179 3.623848 1134.911       53.88716 1105.482       76.37666 1164.081       76.04036 149.4635 5.228641 153.4282 5.070253 -3.964767      7.283279 
1 1 1 -9  21 24 f 147.8806 4.208986 1078.818       60.86292 931.8000       105.7777 1151.580       74.41524 136.0227 7.979732 152.5472 4.990411 -16.52454      9.411712 
1 1 1 -9  21 25 o 164.7652 4.434219 1341.296       71.44865 1216.000       124.0758 1403.456       87.39279 155.1073 8.201531 168.1980 5.314887 -13.09068      9.773083 
1 1 1 -9  21 26 o 107.6683 3.232298 570.7715       34.02619 570.3539       48.88263 571.1640       47.39256 107.2817 4.666192 107.3995 4.518280 -0.1177368     6.495245 
1 1 1 -9  21 27 o 38.52699 5.299989 75.06936       19.45788 76.71529       24.65297 72.35000       31.68802 38.58704 6.774114 36.95904 8.871995 1.628002       11.16248 
1 1 1 -9  21 28 o 117.5539 3.772168 682.8642       43.34826 639.0335       53.13371 770.1000       74.95977 113.3776 4.798659 123.8514 6.203054 -10.47386      7.842513 
1 1 1 -9  21 29 o 30.08610 5.811971 46.72339       16.49615 50.06679       21.77059 42.21568       25.27867 30.85651 7.319305 28.45257 8.457640 2.403940       11.18499 
1 1 1 -9  21 30 o 49.11138 4.167996 120.3073       19.84714 98.54000       27.68547 143.3209       28.46704 43.73998 6.677799 53.27565 5.539726 -9.535671      8.676496 
1 1 1 -9  21 31 o 46.21037 4.662278 107.2514       20.80036 122.5503       25.27169 75.12000       36.62418 49.24454 5.327616 37.15297 9.894776 12.09157       11.23789 
1 1 1 -9  21 32 o 16.00643 6.372712 7.177461       14.97928 1.936387       19.11790 15.51099       24.10707 16.33930 6.918093 20.99835 8.167578 -4.659046      10.70371 
1 1 1 -9  21 33 o 45.42712 4.116446 103.2471       18.10542 124.2760       24.42275 77.58909       26.97728 49.60246 5.102912 38.34288 7.456544 11.25957       9.035473 
1 1 1 -9  21 34 o 66.95081 3.293511 222.0890       21.51723 224.8872       29.89182 219.0797       30.99823 66.99203 4.586174 66.03401 4.829212 0.9580154      6.659901 
1 1 1 -9  21 35 o 43.70493 3.989390 95.69078       16.87848 118.7528       23.01474 68.85205       24.82780 48.45588 4.920524 36.00799 7.294512 12.44790       8.798946 
1 1 1 -9  21 36 o 54.78069 3.394743 149.2822       18.11347 171.7174       25.23862 125.4520       26.01149 58.44256 4.445293 49.55485 5.452563 8.887707       7.034989 
1 1 1 -9  21 37 o 68.29249 3.120563 231.4411       20.80477 237.3588       28.92412 225.0973       29.94732 68.73293 4.321080 66.80884 4.607718 1.924095       6.316866 
1 1 1 -9  21 38 o 45.83044 3.564044 105.1699       15.86274 127.1714       21.27395 77.62067       23.80550 50.14930 4.377723 38.25654 6.595305 11.89276       7.915965 
1 1 1 -9  21 39 o 10.84746 4.837829 -3.590527      10.42476 4.955998       12.77373 -20.63510      18.03914 14.30513 5.817840 11.93496 5.672955 2.370173       8.125865 
1 1 1 -9  21 40 o 10.46568 4.703432 -4.244155      10.05920 -3.641951      12.37528 -5.416891      17.26963 11.90038 5.291461 13.87151 6.203817 -1.971126      8.153950 
1 1 1 -9  21 41 o 25.66365 11.00155 16.83000       49.41137 16.83000       49.41137 0.000000       0.000000 25.66365 11.00155 ?        ?        ?              ?        
1 1 1 -9  21 42 f 68.58194 3.740921 236.3181       25.01767 266.3936       28.70888 141.4000       51.00169 72.66613 4.052300 48.30705 11.02943 24.35908       11.75029 
1 1 1 -9  21 43 o 31.11485 11.30758 56.76000       44.51220 0.000000       0.000000 56.76000       44.51220 ?        ?        31.11485 11.30758 ?              ?        
1 1 1 -9  21 44 o 64.71835 6.060206 220.7353       37.94374 208.6000       56.66432 230.6000       51.08884 59.39589 10.10820 64.23365 8.320975 -4.837761      13.09253 
1 1 1 -9  21 45 o 15.67272 7.392738 -25.00179      29.53574 -50.20000      47.40093 -9.009000      37.76280 18.45596 8.884874 19.75567 8.972857 -1.299715      12.62748 
1 1 1 -9  21 46 o 20.14960 8.622956 8.218458       30.25953 0.7290000      47.99366 13.16000       38.98432 22.82596 10.26471 22.70738 9.753789 0.1185780      14.15983 
1 1 1 -9  21 47 o 35.19360 9.304799 74.79082       32.53662 60.52000       50.24021 85.10000       42.70108 31.06315 11.86702 36.24494 11.04174 -5.181786      16.20945 
1 1 1 -9  21 48 o 46.09311 7.805659 119.9884       33.96136 125.5000       52.41429 116.0000       44.58682 43.24676 11.97352 42.84177 10.67231 0.4049835      16.03944 
1 1 1 -9  21 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  21 50 o 41.83772 8.466516 102.2332       33.48033 144.0000       52.36282 73.35000       43.54420 46.71926 11.52331 33.36256 11.25141 13.35671       16.10531 
1 1 1 -9  21 51 o 37.55344 11.82692 96.47000       48.52611 96.47000       48.52611 0.000000       0.000000 37.55344 11.82692 ?        ?        ?              ?        
1 1 1 -9  21 52 f 24.46765 10.26930 25.25000       41.53756 0.000000       0.000000 25.25000       41.53756 ?        ?        24.46765 10.26930 ?              ?        
1 1 1 -9  21 53 o 34.39606 9.449474 73.42641       32.78777 46.34000       48.74364 95.81000       44.31055 28.20618 11.40362 37.77246 11.19002 -9.566280      15.97683 
1 1 1 -9  21 54 o 17.92733 8.103216 -4.551887      30.35295 -27.32000      44.55834 15.16000       41.46003 18.96477 8.985702 22.78779 9.922793 -3.823025      13.38673 
1 1 1 -9  21 55 o 19.40742 8.395102 8.346405       29.27593 -2.776000      41.62891 19.23000       41.17958 20.47841 9.347437 23.05662 9.965099 -2.578207      13.66301 
1 1 1 -9  22 1  o 279.7581 5.549901 3847.102       151.9757 4307.000       330.8467 3724.109       171.0950 293.6846 11.53146 275.0638 6.354736 18.62076       13.16652 
1 1 1 -9  22 2  o 213.2766 4.464872 2232.508       93.20913 2298.000       195.3566 2213.204       106.0597 215.1763 9.297230 212.2603 5.104759 2.915909       10.60646 
1 1 1 -9  22 3  o 277.1439 5.495891 3775.392       149.0904 4058.000       316.9471 3695.090       168.9494 285.1035 11.38024 273.9955 6.299514 11.10800       13.00745 
1 1 1 -9  22 4  o 317.7476 6.188249 4968.703       192.4669 5021.000       391.2851 4952.011       221.0585 316.4130 12.65932 316.9285 7.125899 -0.5155334     14.52711 
1 1 1 -9  22 5  o 220.5412 4.576751 2387.781       98.79916 2404.000       203.9988 2382.811       112.9269 219.9765 9.496628 220.2064 5.239153 -0.2299500     10.84595 
1 1 1 -9  22 6  o 173.7811 4.429513 1483.344       75.28537 0.000000       0.000000 1483.344       75.28537 ?        ?        173.7811 4.429513 ?              ?        
1 1 1 -9  22 7  o 190.3621 4.775746 1780.808       88.91703 1701.000       156.9718 1818.515       107.8966 185.1694 8.684759 192.1939 5.741817 -7.024414      10.41122 
1 1 1 -9  22 8  o 195.7872 4.851057 1882.896       92.96658 1836.000       166.4915 1904.143       112.0645 192.3202 8.868121 196.6454 5.828510 -4.325195      10.61203 
1 1 1 -9  22 9  o 137.4762 3.475704 927.3298       46.73347 866.3000       102.4796 943.3541       52.51154 132.1528 7.959251 138.6172 3.873980 -6.464432      8.851972 
1 1 1 -9  22 10 o 65.53757 4.451690 211.8533       28.38808 143.3000       62.81454 229.4488       31.82338 52.43633 12.42908 68.17590 4.799469 -15.73957      13.32355 
1 1 1 -9  22 11 o 34.56722 4.833565 59.83974       15.90806 0.000000       0.000000 59.83974       15.90806 ?        ?        34.56722 4.833565 ?              ?        
1 1 1 -9  22 12 o 236.6973 6.840846 2767.357       158.3264 0.000000       0.000000 2767.357       158.3264 ?        ?        236.6973 6.840846 ?              ?        
1 1 1 -9  22 13 o 165.1732 4.418736 1341.083       71.37622 1413.000       133.0088 1311.997       84.58712 168.6962 8.078538 163.2141 5.301723 5.482178       9.662869 
1 1 1 -9  22 14 o 31.05355 9.567681 48.07404       31.94628 13.13000       54.54462 66.32000       39.41384 28.75977 11.89444 36.05510 10.51965 -7.295330      15.87894 
1 1 1 -9  22 15 o 20.85548 6.897824 20.47397       16.37842 -62.07000      52.99535 29.19067       17.22151 20.65589 9.790664 24.03999 6.936000 -3.384104      11.99855 
1 1 1 -9  22 16 o 83.10689 3.182083 339.2950       25.83757 372.3648       41.76311 318.7887       32.88681 86.84909 4.932997 80.43952 4.191281 6.409569       6.473121 
1 1 1 -9  22 17 o 117.4635 3.786995 678.3607       43.48466 733.3000       87.74825 660.4766       50.06450 121.3674 7.421844 115.8067 4.424760 5.560677       8.640734 
1 1 1 -9  22 18 o 88.66876 3.678362 386.8422       31.85570 440.4000       69.22208 372.4522       35.88091 93.84080 7.601114 86.92584 4.229743 6.914955       8.698716 
1 1 1 -9  22 19 o 67.18356 3.430854 222.2325       22.48698 232.1427       35.88726 215.8261       28.85385 68.37298 5.406250 66.06367 4.488713 2.309303       7.026811 
1 1 1 -9  22 20 o 202.0129 4.297291 2009.130       84.97282 2105.738       125.1826 1926.583       115.7145 206.0599 6.213565 197.1783 6.002449 8.881622       8.639316 
1 1 1 -9  22 21 o 50.48104 4.210760 126.3583       20.61699 157.8726       32.63896 105.4357       26.59436 56.12318 6.036164 45.72827 6.093026 10.39491       8.576726 
1 1 1 -9  22 22 o 150.7142 5.375313 1125.727       79.17136 1053.000       112.5350 1197.000       111.4040 144.6751 7.977595 154.5726 7.384478 -9.897568      10.87072 
1 1 1 -9  22 23 o 113.8816 3.909467 639.6506       43.51436 550.6000       80.84437 675.9725       51.63156 104.3633 7.974386 116.9238 4.519860 -12.56046      9.166240 
1 1 1 -9  22 24 o 83.51440 3.268261 343.6034       26.66521 310.4079       38.73802 373.4958       36.76027 79.00905 5.035240 86.86456 4.337163 -7.855515      6.645648 
1 1 1 -9  22 25 o 82.75940 3.262408 337.5633       26.37607 341.6226       38.90808 334.1115       35.87860 82.91792 4.814567 82.08057 4.482710 0.8373489      6.578354 
1 1 1 -9  22 26 f 53.50068 4.306908 142.4577       22.36396 123.2411       28.71206 172.1000       35.66010 49.31479 6.076494 58.31023 6.350344 -8.995441      8.789234 
1 1 1 -9  22 27 o 91.51263 3.214383 413.0441       28.74815 416.2881       41.56791 410.0698       39.80164 91.48692 4.657191 90.85065 4.489666 0.6362762      6.468890 
1 1 1 -9  22 28 o 158.1874 3.717911 1236.094       57.56747 1273.654       84.03030 1202.875       79.02540 159.6804 5.383933 155.2771 5.206761 4.403244       7.489799 
1 1 1 -9  22 29 o 52.25419 4.161482 136.1262       21.10937 148.2000       32.05019 126.8757       28.05370 53.96765 6.178482 49.98936 5.843436 3.978287       8.504081 
1 1 1 -9  22 30 o 44.82323 4.277173 100.5883       18.53848 109.5954       26.21236 91.57436       26.22239 46.35425 5.911424 42.10428 6.577704 4.249973       8.843705 
1 1 1 -9  22 31 o 127.8958 3.369961 808.6015       42.15110 862.4059       62.26347 763.0806       57.27037 131.3908 4.849624 123.6388 4.741051 7.752022       6.782065 
1 1 1 -9  22 32 o 84.71569 4.202675 357.4471       34.74065 302.7000       42.34912 470.1000       60.74845 77.40192 5.628128 96.06948 6.498405 -18.66756      8.596807 
1 1 1 -9  22 33 o 21.39232 6.147980 23.76285       13.55561 36.71287       18.15876 7.462511       20.37274 26.32568 6.947058 17.95813 7.330834 8.367550       10.09964 
1 1 1 -9  22 34 o 60.76921 3.926231 184.2366       23.22925 176.8669       26.46105 209.0000       48.50472 59.32905 4.592246 62.93551 8.058410 -3.606461      9.275057 
1 1 1 -9  22 35 o 19.94213 8.604038 1.560270       30.59406 -29.96000      47.36227 24.13000       40.07751 20.83014 9.672913 25.88274 10.38372 -5.052593      14.19108 
1 1 1 -9  22 36 o 21.52625 8.867358 12.12540       30.15266 40.98000       47.74947 -7.012000      38.88683 29.65228 11.50569 20.93374 9.339440 8.718534       14.81911 
1 1 1 -9  22 37 o 50.64479 7.257737 136.6532       34.95140 89.80000       53.34284 171.9000       46.26651 38.42684 12.43277 55.95295 8.732790 -17.52611      15.19326 
1 1 1 -9  22 38 o 20.28386 8.712421 4.612863       31.10191 -50.28000      49.19181 41.17000       40.14403 19.28881 9.223606 28.42065 10.66416 -9.131845      14.09961 
1 1 1 -9  22 39 o 44.61655 8.271479 110.2531       34.79330 80.29000       53.79583 131.8000       45.61927 36.08981 12.49738 47.60160 10.10376 -11.51179      16.07080 
1 1 1 -9  22 40 o 59.06346 10.10565 202.2000       56.32496 202.2000       56.32496 0.000000       0.000000 59.06346 10.10565 ?        ?        ?              ?        
1 1 1 -9  22 41 o 21.19069 8.834604 12.10276       30.43413 -16.11000      45.17439 35.55000       41.18275 20.99826 9.641756 27.15170 10.64211 -6.153440      14.36029 
1 1 1 -9  22 42 o 19.98883 9.214306 -17.48000      41.82629 0.000000       0.000000 -17.48000      41.82629 ?        ?        19.98883 9.214306 ?              ?        
1 1 1 -9  22 43 o 16.08189 7.547103 -23.16706      30.09411 -36.38000      45.59789 -12.97000      40.05739 19.12217 9.068950 19.94504 9.128697 -0.8228722     12.86775 
1 1 1 -9  22 44 o 42.68783 8.210954 103.1973       33.06310 89.60000       50.35780 113.5000       43.83452 36.97399 12.08838 43.01572 10.50336 -6.041729      16.01404 
1 1 1 -9  22 45 o 21.49610 8.872555 15.92795       30.26799 39.05000       47.30014 -0.1060000     39.38851 27.68112 11.21822 21.05441 9.395967 6.626713       14.63328 
1 1 1 -9  22 46 o 17.93395 8.048092 -4.547945      29.33398 25.42000       44.94863 -26.78000      38.71487 25.27565 10.64991 17.99589 8.481006 7.279760       13.61426 
1 1 1 -9  22 47 o 53.99069 6.721276 158.8288       34.75336 168.7000       52.44401 151.1000       46.40545 51.94156 10.67230 49.91324 9.848235 2.028320       14.52191 
1 1 1 -9  22 48 o 36.95526 9.124817 82.28133       32.80724 55.67000       50.51037 101.7000       43.14762 30.06393 11.78516 39.69530 10.81368 -9.631374      15.99455 
1 1 1 -9  22 49 o 24.99616 9.437099 33.84412       31.54393 39.05000       49.23738 30.22000       41.08175 27.41681 11.31631 25.30858 10.37981 2.108227       15.35576 
1 1 1 -9  22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  22 51 o 42.72697 10.89462 119.1000       45.69727 0.000000       0.000000 119.1000       45.69727 ?        ?        42.72697 10.89462 ?              ?        
1 1 1 -9  22 52 o 16.79968 7.767446 -13.80955      30.04605 -12.93000      45.30760 -14.50000      40.14274 20.54282 9.512188 19.29637 8.941502 1.246443       13.05497 
1 1 1 -9  22 53 o 13.36745 6.545758 -45.62952      28.81425 -70.05000      42.81962 -25.42000      38.95325 15.69172 7.741783 17.87629 8.449583 -2.184565      11.45996 
1 1 1 -9  22 54 o 23.20494 9.073524 28.31715       29.87777 41.73000       43.37780 16.21000       41.21240 26.65791 10.76481 22.70974 9.890901 3.948168       14.61886 
1 1 1 -9  22 55 o 26.25876 9.353372 42.71064       30.27976 22.66000       42.66460 63.06000       42.98125 23.57505 10.16594 30.14175 11.08636 -6.566698      15.04173 
1 1 1 -9  23 1  o 142.4503 3.538074 995.1154       49.33288 920.3000       104.3348 1016.658       55.98677 136.2361 7.857369 143.8913 3.978889 -7.655212      8.807372 
1 1 1 -9  23 2  o 135.4763 3.461580 900.5765       45.86569 952.6000       105.1231 888.3447       50.97327 138.6292 7.778257 134.5086 3.875604 4.120636       8.690316 
1 1 1 -9  23 3  o 102.6966 3.277743 517.5875       32.90643 490.3000       79.74716 523.1871       36.12532 99.20608 8.288077 103.2239 3.580827 -4.017845      9.028541 
1 1 1 -9  23 4  o 153.8540 3.642963 1161.014       54.86177 1174.000       118.9949 1157.509       61.82459 153.8921 7.926319 153.5206 4.117947 0.3715515      8.932191 
1 1 1 -9  23 5  o 117.0059 3.322721 671.8005       38.01611 567.0000       84.58530 698.3286       42.55646 106.7421 8.157472 119.2633 3.649755 -12.52125      8.936725 
1 1 1 -9  23 6  o 173.4730 5.580346 1482.164       94.63108 1347.000       134.9306 1613.000       132.7531 164.6997 8.397442 180.5141 7.529777 -15.81435      11.27894 
1 1 1 -9  23 7  o 34.57471 5.397960 60.19043       17.67146 51.94000       58.23309 61.02726       18.54602 35.34563 12.92000 34.77775 5.641181 0.5678787      14.09785 
1 1 1 -9  23 8  f 54.51345 5.544650 147.7361       29.17457 0.000000       0.000000 147.7361       29.17457 ?        ?        54.51345 5.544650 ?              ?        
1 1 1 -9  23 9  o 68.15484 4.005836 228.7982       26.60583 0.000000       0.000000 228.7982       26.60583 ?        ?        68.15484 4.005836 ?              ?        
1 1 1 -9  23 10 o 100.2285 3.468933 493.3864       33.98116 0.000000       0.000000 493.3864       33.98116 ?        ?        100.2285 3.468933 ?              ?        
1 1 1 -9  23 11 o 102.5236 3.194868 515.9867       32.02230 401.7000       75.24226 541.2657       35.38703 89.51293 8.697058 104.9816 3.448375 -15.46864      9.355753 
1 1 1 -9  23 12 o 27.08438 5.280457 37.34155       13.49586 -30.37000      52.43351 42.14568       13.96642 23.19370 10.54955 28.83923 5.135919 -5.645525      11.73331 
1 1 1 -9  23 13 o 44.10061 5.728748 97.45705       24.14536 102.4000       54.90458 96.27190       26.88461 44.30590 12.25002 43.68624 6.483532 0.6196594      13.85999 
1 1 1 -9  23 14 o 79.10076 4.036982 308.2079       31.15337 297.1000       64.64722 311.5676       35.55399 76.74164 8.763114 79.45730 4.590939 -2.715660      9.892870 
1 1 1 -9  23 15 f 110.5019 3.884827 600.6721       41.95382 560.4000       79.83018 616.0391       49.31276 105.9160 7.753883 111.8089 4.515139 -5.892899      8.972692 
1 1 1 -9  23 16 o 125.2795 3.292398 770.9771       40.33871 914.3000       97.82430 741.6135       44.27855 135.4571 7.406181 122.8110 3.687587 12.64612       8.273440 
1 1 1 -9  23 17 o 44.68331 3.942405 98.92048       17.06632 128.2000       55.27306 95.83495       17.94304 49.25695 11.64830 43.93513 4.224324 5.321823       12.39063 
1 1 1 -9  23 18 o 116.4381 3.767810 667.3045       42.88626 742.7000       86.70806 642.8868       49.34459 121.9244 7.298867 114.1631 4.424155 7.761246       8.535023 
1 1 1 -9  23 19 o 92.19964 5.116200 421.1819       45.99141 369.6000       67.86156 465.0000       62.54641 85.51464 8.207984 96.49275 6.663102 -10.97811      10.57203 
1 1 1 -9  23 20 o 120.5419 3.381218 714.8825       39.85550 645.2000       85.13064 734.4430       45.10382 113.2533 7.725688 122.1020 3.778394 -8.848724      8.600146 
1 1 1 -9  23 21 o 108.7063 3.329444 581.6212       35.38510 551.8000       78.22181 589.2938       39.67691 104.6059 7.693325 109.3469 3.712404 -4.741005      8.542201 
1 1 1 -9  23 22 o 65.30510 3.742587 210.7653       23.82334 140.8000       57.93180 225.0054       26.13552 51.06588 11.82331 67.44083 3.976803 -16.37496      12.47420 
1 1 1 -9  23 23 o 97.32936 3.853012 467.8120       36.63460 429.0000       71.55180 481.6011       42.64871 91.82024 8.042263 98.61458 4.429642 -6.794342      9.181488 
1 1 1 -9  23 24 o 82.43665 3.932166 336.1909       31.63767 397.0000       67.88888 319.3208       35.75794 88.21312 7.947608 80.18445 4.574905 8.028671       9.170290 
1 1 1 -9  23 25 f 97.30759 4.715175 470.7710       44.77711 413.0000       71.76402 507.6000       57.29896 89.67331 8.269003 100.6366 5.841917 -10.96333      10.12445 
1 1 1 -9  23 26 o 128.3615 4.021132 815.7453       50.46069 694.6000       90.68092 870.0845       60.73225 116.4620 8.003386 132.2973 4.697337 -15.83531      9.280041 
1 1 1 -9  23 27 o 88.96695 4.408759 393.5793       38.27333 0.000000       0.000000 393.5793       38.27333 ?        ?        88.96695 4.408759 ?              ?        
1 1 1 -9  23 28 o 40.43417 10.82925 90.11000       43.71598 0.000000       0.000000 90.11000       43.71598 ?        ?        40.43417 10.82925 ?              ?        
1 1 1 -9  23 29 o 113.1907 5.107495 641.2934       56.44228 635.9000       85.26532 645.5000       75.30270 111.0216 7.897760 112.5622 6.867256 -1.540688      10.46584 
1 1 1 -9  23 30 o 91.43982 5.274265 420.0686       47.00638 372.8000       71.36041 456.3000       62.47608 84.21941 8.785471 94.52203 6.798059 -10.30263      11.10847 
1 1 1 -9  23 31 o 85.66819 5.330562 369.5921       44.47763 291.6000       65.53342 436.2000       60.56205 73.97703 9.251976 92.33375 6.747492 -18.35672      11.45110 
1 1 1 -9  23 32 o 27.26430 9.514635 36.94712       31.21146 21.54000       50.00557 46.78000       39.94828 27.54693 11.39043 30.38390 10.75130 -2.836969      15.66309 
1 1 1 -9  23 33 o 63.87808 6.042297 208.7686       37.33081 184.5000       57.73898 226.2000       48.93428 57.51260 10.64859 65.61936 7.769136 -8.106762      13.18150 
1 1 1 -9  23 34 o 33.44376 9.246548 62.06395       31.28240 48.73000       49.53429 70.91000       40.34610 31.35470 11.82850 35.36384 10.72472 -4.009138      15.96662 
1 1 1 -9  23 35 o 79.95273 5.318416 325.2833       41.38527 296.8000       61.54026 348.8000       55.91808 74.09908 8.647123 81.63931 7.067091 -7.540230      11.16765 
1 1 1 -9  23 36 o 52.46214 6.975863 145.7740       34.93506 119.3000       53.70016 165.2000       46.00006 44.22013 12.07094 54.68023 8.900351 -10.46010      14.99746 
1 1 1 -9  23 37 o 52.18789 6.951268 144.8440       34.62688 136.5000       55.06999 150.3000       44.53139 47.19414 11.91991 51.77781 9.119500 -4.583672      15.00832 
1 1 1 -9  23 38 f 34.14352 9.382482 67.26311       32.31984 110.8000       49.41684 34.72000       42.72438 42.45710 11.57536 27.39153 10.80800 15.06558       15.83673 
1 1 1 -9  23 39 o 26.70726 11.10617 26.59000       47.91972 26.59000       47.91972 0.000000       0.000000 26.70726 11.10617 ?        ?        ?              ?        
1 1 1 -9  23 40 o 17.79211 8.053910 -9.504528      30.11547 -57.43000      44.71846 30.27000       40.73861 17.48911 8.470742 26.16841 10.47902 -8.679298      13.47454 
1 1 1 -9  23 41 o 41.24720 11.13787 105.6000       46.01324 0.000000       0.000000 105.6000       46.01324 ?        ?        41.24720 11.13787 ?              ?        
1 1 1 -9  23 42 o 16.31524 7.620562 -20.93729      30.08182 -51.66000      44.92746 4.029000       40.50037 17.81386 8.594350 22.03182 9.694502 -4.217964      12.95555 
1 1 1 -9  23 43 o 29.73965 9.526008 52.07598       31.36877 16.72000       48.33134 77.81000       41.23359 24.95754 10.79126 35.27019 10.87034 -10.31265      15.31717 
1 1 1 -9  23 44 o 20.33307 8.661030 9.234355       30.27421 13.11000       47.49492 6.582000       39.29081 24.17122 10.57096 21.88252 9.591208 2.288704       14.27363 
1 1 1 -9  23 45 o 16.36746 7.608800 -17.21537      29.42826 -4.344000      45.72017 -26.32000      38.45268 21.76912 9.881719 17.96807 8.463068 3.801056       13.01045 
1 1 1 -9  23 46 f 20.10839 8.594702 9.038485       29.99431 24.47000       46.16784 -2.232000      39.45541 25.19337 10.71217 20.65488 9.296093 4.538494       14.18337 
1 1 1 -9  23 47 o 22.62639 9.061080 22.70180       30.46118 47.69000       47.32550 5.027000       39.80200 28.66917 11.35529 21.57439 9.546734 7.094778       14.83519 
1 1 1 -9  23 48 f 41.19700 8.485464 99.38341       33.07777 163.0000       51.52697 54.79000       43.14046 50.75443 10.70902 29.67694 11.07137 21.07749       15.40319 
1 1 1 -9  23 49 o 22.68130 10.16889 4.513000       46.70923 4.513000       46.70923 0.000000       0.000000 22.68130 10.16889 ?        ?        ?              ?        
1 1 1 -9  23 50 o 23.87131 10.15704 21.02000       41.55647 0.000000       0.000000 21.02000       41.55647 ?        ?        23.87131 10.15704 ?              ?        
1 1 1 -9  23 51 o 25.34722 10.91541 25.72000       49.05941 25.72000       49.05941 0.000000       0.000000 25.34722 10.91541 ?        ?        ?              ?        
1 1 1 -9  23 52 o 21.96777 9.001689 20.42191       30.86263 4.834000       46.02283 33.16000       41.60366 22.31435 10.04174 25.44221 10.44128 -3.127867      14.48644 
1 1 1 -9  23 53 o 18.10773 8.123281 -1.651857      29.85634 22.02000       43.96019 -21.92000      40.67714 23.87411 10.30715 18.47445 8.702455 5.399664       13.48963 
1 1 1 -9  23 54 o 34.30589 9.187433 74.58454       31.46636 73.68000       44.61286 75.48000       44.38831 32.10207 11.36144 32.48005 11.34590 -0.3779831     16.05651 
1 1 1 -9  24 1  o 113.6032 3.297465 633.4658       36.62834 613.8000       81.54098 638.4371       40.99742 111.1391 7.540185 114.0080 3.678610 -2.868988      8.389670 
1 1 1 -9  24 2  o 51.31833 3.924758 130.0203       19.56519 56.18000       54.89034 140.7672       20.94061 35.55310 12.60048 53.39616 4.036469 -17.84306      13.23122 
1 1 1 -9  24 3  o 172.0257 3.867742 1452.516       65.12640 1562.000       140.5969 1422.606       73.48563 177.3407 8.121110 170.1140 4.416964 7.226761       9.244566 
1 1 1 -9  24 4  o 190.8046 4.782958 1790.889       89.25839 1935.000       166.2605 1732.535       105.7975 197.2209 8.633430 187.4500 5.773002 9.770935       10.38574 
1 1 1 -9  24 5  o 47.25216 4.487959 110.6897       20.50869 186.3000       56.53321 99.23115       22.00792 60.36678 9.911177 44.62195 5.132106 15.74482       11.16109 
1 1 1 -9  24 6  o 116.3973 3.965101 665.9639       45.10958 782.2000       89.11242 625.9166       52.30640 125.5398 7.283149 112.7310 4.750945 12.80882       8.695731 
1 1 1 -9  24 7  o 101.9401 3.870707 510.9119       38.55246 608.8000       78.55690 479.8567       44.24727 110.6857 7.291424 98.69567 4.592770 11.98999       8.617331 
1 1 1 -9  24 8  o 190.2817 4.704474 1780.506       87.62222 0.000000       0.000000 1780.506       87.62222 ?        ?        190.2817 4.704474 ?              ?        
1 1 1 -9  24 9  o 115.8377 4.612161 660.8800       52.19050 0.000000       0.000000 660.8800       52.19050 ?        ?        115.8377 4.612161 ?              ?        
1 1 1 -9  24 10 o 54.75516 3.738196 147.8909       19.91502 0.000000       0.000000 147.8909       19.91502 ?        ?        54.75516 3.738196 ?              ?        
1 1 1 -9  24 11 o 81.77476 3.533664 328.8917       28.21788 312.7000       64.84007 332.6747       31.34144 78.79058 8.544014 82.20000 3.906479 -3.409416      9.394720 
1 1 1 -9  24 12 o 63.67257 3.232368 199.4698       20.07965 187.1000       57.04088 201.2195       21.45281 60.30146 10.01507 63.92959 3.440958 -3.628128      10.58970 
1 1 1 -9  24 13 o 126.4644 3.296298 785.6268       40.76906 820.7000       92.62040 777.1981       45.40425 128.3160 7.405745 125.7245 3.693529 2.591461       8.275700 
1 1 1 -9  24 14 o 89.58596 3.884175 395.2624       33.97909 420.8000       68.60594 386.9618       39.11334 91.61687 7.722153 88.53859 4.528256 3.078278       8.951913 
1 1 1 -9  24 15 o 110.9620 3.868818 606.1670       41.95597 619.8000       80.60437 601.1006       49.13734 111.3309 7.439369 110.3706 4.558141 0.9603043      8.724727 
1 1 1 -9  24 16 o 93.61981 3.139825 430.8798       28.73191 403.0000       69.70325 436.5866       31.53569 89.42091 8.049642 94.19852 3.425910 -4.777618      8.748348 
1 1 1 -9  24 17 o 125.8930 3.292711 779.2979       40.54044 911.5000       96.66293 751.0807       44.65783 134.9485 7.345584 123.5159 3.697923 11.43255       8.223883 
1 1 1 -9  24 18 o 70.13923 3.880594 242.9504       26.53807 235.2000       60.38692 244.8055       29.54391 67.56587 9.383741 70.33356 4.312129 -2.767685      10.32710 
1 1 1 -9  24 19 o 98.46059 3.730263 477.9942       35.88575 524.2000       75.02956 464.2889       40.86271 101.9743 7.570849 96.91460 4.318409 5.059723       8.715871 
1 1 1 -9  24 20 o 143.0325 3.551302 1007.194       49.71970 1035.000       107.4966 999.6266       56.07862 143.2534 7.694497 142.3181 4.029662 0.9353333      8.685820 
1 1 1 -9  24 21 o 64.35959 3.644492 204.7228       22.86536 247.4000       59.43115 197.3080       24.77217 69.19604 8.986669 63.11017 4.031205 6.085865       9.849407 
1 1 1 -9  24 22 o 68.70454 3.558228 233.2292       23.84751 286.4000       61.30054 223.7473       25.88669 74.59238 8.550191 67.21472 3.952089 7.377663       9.419383 
1 1 1 -9  24 23 o 81.66432 3.827715 329.9590       30.51182 353.7000       66.81887 323.7045       34.29626 82.93505 8.344336 80.75652 4.354843 2.178528       9.412364 
1 1 1 -9  24 24 o 75.07871 3.909441 279.3510       28.63116 244.0000       62.45816 288.7558       32.21534 68.02615 9.650641 76.22748 4.335502 -8.201332      10.57977 
1 1 1 -9  24 25 o 82.27502 4.072433 335.8623       32.69462 365.4000       66.70200 326.5215       37.50963 84.13802 8.203222 80.91972 4.756658 3.218300       9.482544 
1 1 1 -9  24 26 o 131.7739 4.860211 865.5803       62.58152 0.000000       0.000000 865.5803       62.58152 ?        ?        131.7739 4.860211 ?              ?        
1 1 1 -9  24 27 o 80.48251 7.261727 332.4000       56.59210 0.000000       0.000000 332.4000       56.59210 ?        ?        80.48251 7.261727 ?              ?        
1 1 1 -9  24 28 f 131.2179 5.222243 862.9937       66.94039 841.9000       98.34986 881.2000       91.37094 127.6816 7.908172 131.2698 7.137960 -3.588226      10.65315 
1 1 1 -9  24 29 o 55.65051 6.754607 159.5332       36.04145 131.8000       57.48107 177.5000       46.26584 48.02073 12.20508 57.99895 8.393286 -9.978230      14.81254 
1 1 1 -9  24 30 o 49.54089 7.158811 127.9773       33.70899 153.7000       54.35343 111.9000       42.97104 52.45815 10.94013 45.02996 10.00865 7.428192       14.82766 
1 1 1 -9  24 31 o 31.37814 9.407773 53.47272       31.17386 35.35000       49.35720 65.50000       40.20893 29.45225 11.61807 34.42499 10.75497 -4.972746      15.83190 
1 1 1 -9  24 32 o 29.10334 9.483691 45.05822       31.00709 25.00000       47.74353 59.69000       40.77716 27.45958 11.21750 32.99643 10.88266 -5.536852      15.62897 
1 1 1 -9  24 33 o 25.42678 9.279106 30.80727       30.01883 34.41000       47.08467 28.34000       38.96479 28.61749 11.32905 26.34643 10.34408 2.271057       15.34103 
1 1 1 -9  24 34 o 19.20008 8.383842 -0.8267713     29.77365 -24.96000      46.33971 16.14000       38.85485 20.85169 9.642819 24.10689 10.01070 -3.255199      13.89958 
1 1 1 -9  24 35 o 75.19200 5.511047 290.0399       40.27958 198.3000       58.37794 373.4000       55.64792 58.63092 10.56057 84.38815 6.794301 -25.75723      12.55740 
1 1 1 -9  24 36 o 49.91928 7.102180 133.2268       33.72503 86.51000       52.71334 165.6000       43.88099 37.41741 12.37471 54.84909 8.443834 -17.43167      14.98105 
1 1 1 -9  24 37 o 33.32258 11.92876 65.74000       49.31164 65.74000       49.31164 0.000000       0.000000 33.32258 11.92876 ?        ?        ?              ?        
1 1 1 -9  24 38 o 30.74691 9.792764 54.68809       33.18684 38.55000       48.30051 69.12000       45.67594 28.49107 11.40984 33.79751 11.52231 -5.306446      16.21567 
1 1 1 -9  24 39 o 67.61177 5.875473 238.6254       38.49834 188.1000       55.58751 285.2000       53.36993 56.37710 10.45819 72.45956 7.639643 -16.08245      12.95137 
1 1 1 -9  24 40 o 28.17339 10.93399 41.30000       43.12857 0.000000       0.000000 41.30000       43.12857 ?        ?        28.17339 10.93399 ?              ?        
1 1 1 -9  24 41 o 31.70299 9.560109 59.59494       32.12353 79.57000       48.83554 44.36000       42.64933 35.23267 11.91537 28.52803 10.92507 6.704634       16.16581 
1 1 1 -9  24 42 o 30.29568 9.488876 54.33621       31.27878 18.16000       48.12266 80.80000       41.15894 25.07926 10.80546 35.91841 10.81922 -10.83915      15.29096 
1 1 1 -9  24 43 o 22.85938 9.132455 22.64239       30.86740 27.44000       48.92560 19.47000       39.78473 26.17912 11.07490 23.77320 10.01832 2.405928       14.93386 
1 1 1 -9  24 44 o 20.75631 8.759726 12.02005       30.48789 27.25000       48.20595 1.867000       39.35950 25.89575 10.97580 21.17652 9.425159 4.719227       14.46727 
1 1 1 -9  24 45 o 18.56883 8.277260 -1.754333      30.47655 43.07000       46.91508 -34.48000      40.08665 27.93220 11.22471 17.61131 8.395174 10.32089       14.01688 
1 1 1 -9  24 46 o 39.43538 8.768270 92.00691       32.97002 91.17000       51.19498 92.60000       43.09706 36.29871 12.19970 37.65809 11.00382 -1.359383      16.42914 
1 1 1 -9  24 47 o 42.25127 8.433767 104.2414       33.65680 139.8000       51.84512 78.34000       44.24829 45.90318 11.55001 34.28682 11.33759 11.61637       16.18467 
1 1 1 -9  24 48 o 22.40034 10.09747 2.043000       46.75948 2.043000       46.75948 0.000000       0.000000 22.40034 10.09747 ?        ?        ?              ?        
1 1 1 -9  24 49 o 29.14856 10.88647 52.84000       41.73484 0.000000       0.000000 52.84000       41.73484 ?        ?        29.14856 10.88647 ?              ?        
1 1 1 -9  24 50 o 20.05333 8.623618 9.172456       30.53947 -3.382000      45.64138 19.35000       41.09428 21.48939 9.800716 23.45155 10.04271 -1.962158      14.03247 
1 1 1 -9  24 51 o 38.57753 8.980031 90.67055       33.27206 71.88000       49.46241 106.2000       44.96592 32.12312 11.87921 39.64594 11.13245 -7.522820      16.28027 
1 1 1 -9  24 52 o 26.54920 10.98852 39.32000       46.60076 39.32000       46.60076 0.000000       0.000000 26.54920 10.98852 ?        ?        ?              ?        
1 1 1 -9  24 53 o 25.74219 9.324102 40.56705       30.23245 54.86000       43.16152 26.80000       42.36003 28.60147 10.98104 24.09234 10.25306 4.509125       15.02360 
1 1 1 -9  25 1  o 147.7162 5.228446 1076.002       75.47820 990.8000       108.1187 1157.000       105.4172 141.0653 7.861319 152.7125 7.071496 -11.64717      10.57385 
1 1 1 -9  25 2  o 199.2655 4.270081 1951.575       83.28647 1924.000       169.4103 1960.364       95.64290 196.3032 8.839383 199.5807 4.895848 -3.277527      10.10465 
1 1 1 -9  25 3  o 74.90608 3.788659 276.2317       27.68830 420.1000       65.51771 244.9505       30.55049 91.78267 7.354249 70.44276 4.453531 21.33990       8.597611 
1 1 1 -9  25 4  o 61.04356 4.010523 183.8521       23.83059 181.8000       56.31775 184.2997       26.30128 59.48115 10.02931 61.06410 4.430459 -1.582954      10.96431 
1 1 1 -9  25 5  o 55.23131 3.687012 150.4511       19.81855 153.6000       56.74578 150.0137       21.15041 54.30060 11.05262 55.11977 3.946284 -0.8191681     11.73600 
1 1 1 -9  25 6  o 51.20325 3.734566 129.4393       18.58863 168.9000       56.41019 124.6324       19.68830 57.13480 10.47255 50.20029 4.040894 6.934502       11.22511 
1 1 1 -9  25 7  o 138.1612 3.899826 938.6459       52.68692 0.000000       0.000000 938.6459       52.68692 ?        ?        138.1612 3.899826 ?              ?        
1 1 1 -9  25 8  o 73.09975 4.789186 264.2431       34.07888 0.000000       0.000000 264.2431       34.07888 ?        ?        73.09975 4.789186 ?              ?        
1 1 1 -9  25 9  o 31.97752 4.982271 51.56766       15.08679 14.27000       51.69312 55.04041       15.77352 28.11759 11.59929 33.05004 5.034666 -4.932447      12.64481 
1 1 1 -9  25 10 o 133.9919 3.421871 882.2614       44.84282 842.6000       97.05118 893.0273       50.56403 129.8858 7.667777 134.7373 3.837872 -4.851471      8.574617 
1 1 1 -9  25 11 o 14.39048 5.745252 5.131787       12.20821 0.000000       0.000000 5.131787       12.20821 ?        ?        14.39048 5.745252 ?              ?        
1 1 1 -9  25 12 o 59.26754 3.656768 173.3041       21.11060 185.6000       57.76004 171.4083       22.67967 59.82190 10.23165 58.90079 3.956727 0.9211044      10.97007 
1 1 1 -9  25 13 o 203.7979 4.974858 2050.048       99.23997 2129.000       181.5979 2016.430       118.4996 205.5066 9.049932 201.6425 6.010541 3.864029       10.86406 
1 1 1 -9  25 14 o 46.82688 3.656462 108.4887       16.62677 196.0000       54.62120 99.55177       17.45512 61.67991 9.339056 44.79115 4.024145 16.88876       10.16915 
1 1 1 -9  25 15 o 101.4282 3.911620 507.2685       38.76204 559.6000       75.87924 488.7903       45.08908 105.5579 7.390584 99.40818 4.646720 6.149712       8.729990 
1 1 1 -9  25 16 o 97.80876 3.928671 471.9873       37.53574 500.7000       74.20972 462.1159       43.51228 99.64792 7.667189 96.63183 4.613619 3.016090       8.948255 
1 1 1 -9  25 17 o 118.7031 3.298721 693.5086       38.29063 742.2000       87.90305 682.1059       42.53852 121.4365 7.430753 117.6372 3.698893 3.799324       8.300476 
1 1 1 -9  25 18 o 78.85375 3.725497 307.0282       28.67365 272.9000       62.49988 316.1264       32.27015 72.78886 8.961126 79.93421 4.138505 -7.145348      9.870613 
1 1 1 -9  25 19 o 24.18129 7.229089 29.78391       18.42719 58.38000       51.48428 25.58234       19.73455 34.70486 12.21190 22.96728 7.570589 11.73759       14.36817 
1 1 1 -9  25 20 o 21.63421 7.474129 21.64629       19.23659 41.21000       51.43718 18.46513       20.74169 31.60660 12.02370 21.04950 7.708167 10.55710       14.28234 
1 1 1 -9  25 21 o 42.89015 4.768424 92.33388       19.68082 55.48000       53.93171 97.99557       21.13857 34.23391 12.44583 44.15283 4.977808 -9.918922      13.40437 
1 1 1 -9  25 22 o 89.04025 3.776455 392.3070       32.83897 447.2000       70.42640 377.0560       37.12157 93.48486 7.766479 87.12829 4.366640 6.356575       8.909867 
1 1 1 -9  25 23 o 57.17746 3.948603 162.4527       21.96338 161.4000       56.27372 162.6419       23.85535 54.45024 10.93852 57.13193 4.297299 -2.681690      11.75237 
1 1 1 -9  25 24 o 72.41750 3.454819 259.4623       24.41860 241.4000       61.02098 262.9062       26.64499 67.52865 9.493538 72.82789 3.750395 -5.299240      10.20748 
1 1 1 -9  25 25 o 63.94128 3.840260 203.0826       23.92446 0.000000       0.000000 203.0826       23.92446 ?        ?        63.94128 3.840260 ?              ?        
1 1 1 -9  25 26 o 107.4371 5.182847 578.5239       54.34331 576.5000       82.13001 580.1000       72.47790 105.5538 8.008944 106.5711 6.986527 -1.017326      10.62802 
1 1 1 -9  25 27 o 24.19724 9.419852 21.80323       32.08757 54.67000       52.61782 2.344000       40.48714 33.32055 12.26452 22.96513 9.903029 10.35542       15.76352 
1 1 1 -9  25 28 o 94.26919 5.281008 447.0889       48.53479 361.5000       70.45191 524.4000       66.95837 82.72499 8.837336 101.2361 6.796522 -18.51115      11.14860 
1 1 1 -9  25 29 o 80.61229 5.394168 328.2617       42.31802 281.9000       63.40648 365.5000       56.82622 72.61676 9.121257 84.23500 6.953967 -11.61824      11.46974 
1 1 1 -9  25 30 o 97.06491 5.054556 474.1876       47.85779 488.1000       72.04453 463.2000       64.02523 96.78078 7.667733 94.78091 6.949501 1.999870       10.34841 
1 1 1 -9  25 31 o 43.62077 7.786058 101.7896       32.02452 43.94000       48.50285 146.5000       42.64043 30.47947 11.65609 52.04430 8.675554 -21.56483      14.53030 
1 1 1 -9  25 32 o 79.87808 5.228898 323.9113       40.65835 276.8000       59.96492 364.0000       55.31529 71.56470 8.741590 83.67453 6.812662 -12.10983      11.08277 
1 1 1 -9  25 33 o 23.18323 9.069031 21.41964       29.85904 -12.21000      47.16681 43.91000       38.57213 22.26692 10.07942 29.04680 10.53039 -6.779881      14.57683 
1 1 1 -9  25 34 o 69.64548 5.695042 250.1805       38.48491 251.3000       58.00262 249.3000       51.43847 67.33104 9.028194 67.99204 7.874414 -0.6610031     11.97976 
1 1 1 -9  25 35 o 23.07587 9.075355 21.68231       30.03665 -39.89000      47.48883 62.74000       38.77895 19.60497 9.285332 32.78476 10.59997 -13.17980      14.09173 
1 1 1 -9  25 36 o 30.45426 11.62453 50.18000       48.18143 50.18000       48.18143 0.000000       0.000000 30.45426 11.62453 ?        ?        ?              ?        
1 1 1 -9  25 37 o 21.17017 8.809103 12.29956       30.17446 -5.819000      46.24739 25.73000       39.81718 22.30548 10.04949 25.30382 10.27876 -2.998337      14.37516 
1 1 1 -9  25 38 o 24.48985 10.23907 19.83000       41.05169 0.000000       0.000000 19.83000       41.05169 ?        ?        24.48985 10.23907 ?              ?        
1 1 1 -9  25 39 o 43.87228 10.87581 118.4000       46.46957 0.000000       0.000000 118.4000       46.46957 ?        ?        43.87228 10.87581 ?              ?        
1 1 1 -9  25 40 o 31.29123 9.537991 58.06311       31.85639 6.065000       47.16047 101.7000       43.20273 23.52261 10.40113 40.51499 10.72683 -16.99237      14.94150 
1 1 1 -9  25 41 o 32.38063 9.376786 62.48484       31.42127 12.52000       48.31723 99.10000       41.36188 24.38235 10.66271 40.07301 10.44146 -15.69066      14.92372 
1 1 1 -9  25 42 o 21.99254 8.973117 18.52812       30.50395 38.24000       48.76723 5.859000       39.09643 27.63532 11.31878 21.71585 9.541273 5.919472       14.80373 
1 1 1 -9  25 43 o 16.20922 7.601881 -21.28080      30.44695 -91.66000      47.35370 28.32000       39.75357 15.86403 7.882034 24.98537 10.22477 -9.121346      12.91016 
1 1 1 -9  25 44 o 27.99158 9.609483 46.88389       31.78168 -4.769000      48.15380 86.75000       42.30436 22.03943 10.05743 36.41770 10.96853 -14.37827      14.88156 
1 1 1 -9  25 45 o 34.44278 9.343356 72.36609       32.29185 78.57000       49.78377 67.86000       42.42822 34.00914 12.00498 32.33793 11.10292 1.671215       16.35220 
1 1 1 -9  25 46 o 44.40665 8.205670 114.0888       34.35362 131.4000       52.58601 101.2000       45.37452 43.91388 11.92760 38.99021 11.26122 4.923668       16.40374 
1 1 1 -9  25 47 o 30.78524 9.852303 59.28319       33.56000 82.93000       48.94403 38.30000       46.10512 34.61772 11.92356 26.91337 11.01226 7.704346       16.23088 
1 1 1 -9  25 48 o 35.90824 11.21813 86.62000       43.74689 0.000000       0.000000 86.62000       43.74689 ?        ?        35.90824 11.21813 ?              ?        
1 1 1 -9  25 49 o 21.99358 8.981503 20.43976       30.59408 52.12000       45.97581 -4.737000      40.98596 28.89561 11.26800 20.42831 9.305461 8.467295       14.61367 
1 1 1 -9  25 50 o 47.01678 7.632386 126.3817       33.92183 104.1000       50.20397 145.1000       46.01474 38.20405 12.02935 47.93876 10.12427 -9.734711      15.72279 
1 1 1 -9  25 51 o 21.65130 8.933531 19.53702       30.67125 42.82000       45.94549 0.8208000      41.19387 27.03563 11.01938 20.87802 9.438187 6.157612       14.50883 
1 1 1 -9  25 52 o 20.98084 8.775275 17.16560       30.17012 -11.26000      44.14467 42.08000       41.32841 20.00893 9.307542 26.38966 10.55902 -6.380730      14.07562 
1 1 1 -9  26 1  o 132.2264 3.435402 859.2057       44.42567 801.3000       94.16814 875.7832       50.38513 126.6649 7.630626 133.4249 3.862039 -6.760010      8.552298 
1 1 1 -9  26 2  o 97.39011 4.358659 467.7083       41.44500 0.000000       0.000000 467.7083       41.44500 ?        ?        97.39011 4.358659 ?              ?        
1 1 1 -9  26 3  o 59.85308 4.134740 177.0415       24.07485 130.7000       55.72694 187.6752       26.69447 49.74329 11.65098 61.58546 4.458486 -11.84216      12.47492 
1 1 1 -9  26 4  o 50.03535 3.831710 123.7767       18.62340 184.0000       54.56507 115.8363       19.81313 59.79297 9.651651 48.33891 4.230034 11.45406       10.53791 
1 1 1 -9  26 5  o 217.9817 5.284997 2345.318       112.7641 2338.000       198.9126 2348.783       136.8855 215.4577 9.454805 217.6090 6.433561 -2.151230      11.43608 
1 1 1 -9  26 6  o 171.4204 5.355852 1452.416       89.75613 0.000000       0.000000 1452.416       89.75613 ?        ?        171.4204 5.355852 ?              ?        
1 1 1 -9  26 7  o 29.88370 5.331513 45.40327       15.02308 117.8000       56.51344 39.89821       15.58379 47.07320 12.17474 27.88234 5.894642 19.19086       13.52668 
1 1 1 -9  26 8  o 45.43510 5.686712 103.6629       24.73822 150.5000       54.84270 91.69856       27.71834 53.53123 10.83880 42.42687 6.912272 11.10436       12.85531 
1 1 1 -9  26 9  o 64.59295 3.366209 205.5551       21.20954 166.9000       57.84437 211.5592       22.79730 56.38697 10.87447 65.50549 3.568973 -9.118511      11.44516 
1 1 1 -9  26 10 o 20.10390 6.184197 20.06312       13.35316 42.04000       51.84374 18.50159       13.81942 32.23618 12.11405 19.57672 6.327634 12.65946       13.66708 
1 1 1 -9  26 11 o 94.05817 3.177167 435.1483       29.20915 365.1000       68.56386 450.6801       32.28541 84.86264 8.362702 95.68116 3.452919 -10.81852      9.047510 
1 1 1 -9  26 12 o 84.93129 3.148509 354.9312       26.12922 293.7000       63.88802 367.2305       28.63347 75.83689 8.767921 86.35516 3.394112 -10.51826      9.401938 
1 1 1 -9  26 13 o 51.97426 3.775085 133.6990       19.07439 0.000000       0.000000 133.6990       19.07439 ?        ?        51.97426 3.775085 ?              ?        
1 1 1 -9  26 14 o 107.6617 3.637637 571.3085       38.27918 538.2000       75.90990 582.5986       44.32793 103.2866 7.560793 108.6000 4.177844 -5.313377      8.638286 
1 1 1 -9  26 15 o 29.97658 7.796100 46.91821       23.08730 40.19000       47.59070 48.98899       26.40219 31.00213 11.61569 30.63844 8.503831 0.3636856      14.39581 
1 1 1 -9  26 16 f 17.92107 7.499829 3.589599       22.05637 77.68000       48.04801 -16.19154      24.82676 38.28011 11.72260 15.68356 7.181411 22.59654       13.74744 
1 1 1 -9  26 17 o 84.14320 3.253187 348.9845       26.74332 334.6000       65.06158 351.9090       29.33621 80.81063 8.345168 84.43713 3.557447 -3.626495      9.071784 
1 1 1 -9  26 18 o 106.0488 3.223983 554.2088       33.42720 603.0000       79.99112 543.8857       36.79387 108.9916 7.544509 104.9702 3.586259 4.021454       8.353495 
1 1 1 -9  26 19 o 76.83546 3.848735 292.2921       28.85367 261.4000       63.00544 300.4902       32.45722 70.69460 9.332874 77.80381 4.278379 -7.109215      10.26679 
1 1 1 -9  26 20 o 55.03582 5.069176 151.9706       27.00134 216.0000       59.12815 135.1000       30.35077 63.85113 9.770897 51.56569 6.133188 12.28544       11.53631 
1 1 1 -9  26 21 o 65.17265 4.042347 211.0067       25.66033 302.1000       62.29159 192.3896       28.16067 76.29015 8.485093 62.06354 4.669790 14.22661       9.685233 
1 1 1 -9  26 22 o 89.31802 3.306112 394.0916       28.85444 442.8000       70.79496 384.3882       31.59808 92.74830 7.872434 88.11474 3.671627 4.633560       8.686545 
1 1 1 -9  26 23 o 88.67973 3.316613 388.6927       28.73819 379.7000       69.80746 390.5278       31.53436 85.39221 8.462960 88.80156 3.635604 -3.409348      9.210826 
1 1 1 -9  26 24 o 72.50408 3.758477 260.9092       26.58248 0.000000       0.000000 260.9092       26.58248 ?        ?        72.50408 3.758477 ?              ?        
1 1 1 -9  26 25 o 21.42641 6.901195 22.98077       16.44757 5.196000       52.18750 24.94210       17.33079 26.00873 11.22953 22.21918 7.076711 3.789551       13.27337 
1 1 1 -9  26 26 o 58.17337 6.619148 173.9871       37.02102 141.6000       57.36769 197.1000       48.46285 49.87588 11.91464 61.16133 8.309914 -11.28545      14.52630 
1 1 1 -9  26 27 o 86.85674 5.331635 380.4569       45.10995 317.2000       66.96822 433.0000       61.03411 77.17622 9.035876 91.82703 6.839527 -14.65082      11.33253 
1 1 1 -9  26 28 o 28.24440 9.589663 41.07080       31.63415 42.59000       50.50515 40.09000       40.58063 30.73499 11.85809 29.03970 10.75610 1.695295       16.00962 
1 1 1 -9  26 29 o 88.19901 5.261162 393.2006       45.21405 314.1000       65.96306 463.3000       62.09661 76.50726 8.978978 94.82731 6.733840 -18.32005      11.22349 
1 1 1 -9  26 30 o 65.29373 5.929265 218.7818       37.48191 134.0000       55.28546 290.9000       50.98962 47.68825 11.88644 74.67236 7.059974 -26.98411      13.82500 
1 1 1 -9  26 31 o 44.12653 7.711392 104.8278       32.09548 108.9000       49.62737 101.9000       42.08032 42.83313 11.56740 42.12078 10.29484 0.7123489      15.48510 
1 1 1 -9  26 32 o 61.44632 6.050213 195.7927       35.91771 152.6000       54.20614 229.6000       47.95666 50.86499 11.19176 65.55663 7.615074 -14.69165      13.53680 
1 1 1 -9  26 33 o 56.49212 6.367080 167.4766       34.59489 173.9000       54.34430 163.1000       44.85825 54.61009 10.54846 54.20309 8.753118 0.4070015      13.70719 
1 1 1 -9  26 34 o 21.15578 8.796737 11.83853       30.05856 -29.13000      48.17803 37.95000       38.46268 20.61280 9.633180 27.46850 10.40942 -6.855701      14.18289 
1 1 1 -9  26 35 o 20.22255 9.420603 -25.37000      45.48357 -25.37000      45.48357 0.000000       0.000000 20.22255 9.420603 ?        ?        ?              ?        
1 1 1 -9  26 36 o 26.00787 9.253681 36.06946       29.62995 62.01000       45.63931 17.17000       38.95598 32.26826 11.48430 23.74807 9.954722 8.520195       15.19821 
1 1 1 -9  26 37 o 35.52208 11.09733 77.92000       42.80997 0.000000       0.000000 77.92000       42.80997 ?        ?        35.52208 11.09733 ?              ?        
1 1 1 -9  26 38 o 31.81733 9.547639 59.93454       32.09739 56.78000       48.24304 62.44000       42.99416 31.05771 11.68268 32.03509 11.16790 -0.9773769     16.16190 
1 1 1 -9  26 39 o 21.71921 8.986675 15.48567       31.15520 -12.19000      47.55272 36.30000       41.23894 21.61271 9.912193 26.88728 10.61553 -5.274567      14.52381 
1 1 1 -9  26 40 o 22.77431 9.102881 21.93583       30.68284 11.42000       47.82897 29.29000       39.99779 24.13063 10.57919 25.46531 10.31753 -1.334673      14.77737 
1 1 1 -9  26 41 o 50.65038 7.311294 141.9838       35.19996 121.7000       53.76542 157.2000       46.56739 42.33614 12.26753 51.29536 9.628173 -8.959229      15.59468 
1 1 1 -9  26 42 o 16.50277 7.667171 -16.74133      29.81323 -24.88000      46.59539 -11.10000      38.79330 19.94208 9.368865 19.50989 8.949656 0.4321861      12.95654 
1 1 1 -9  26 43 o 36.33241 9.103391 79.76891       32.30474 68.69000       49.46267 88.01000       42.66004 32.14570 11.88074 36.59396 11.01297 -4.448257      16.19993 
1 1 1 -9  26 44 o 21.40563 8.928885 15.62689       31.11101 12.01000       48.53228 18.15000       40.53501 23.87670 10.55481 23.42913 10.00211 0.4475689      14.54119 
1 1 1 -9  26 45 o 22.13572 9.157072 18.92808       32.33847 81.47000       48.35450 -31.68000      43.49719 34.42758 11.85180 18.57186 8.822307 15.85573       14.77492 
1 1 1 -9  26 46 o 27.58414 9.575545 45.85697       31.59065 18.25000       46.79168 68.98000       42.82345 24.20288 10.54022 32.26615 11.15140 -8.063269      15.34438 
1 1 1 -9  26 47 o 23.93472 10.14278 22.26000       41.15369 0.000000       0.000000 22.26000       41.15369 ?        ?        23.93472 10.14278 ?              ?        
1 1 1 -9  26 48 o 22.86368 9.110609 25.08031       30.64093 27.14000       45.56504 23.38000       41.39949 25.03391 10.64310 24.00685 10.17317 1.027065       14.72307 
1 1 1 -9  26 49 o 27.91697 9.560649 47.98390       31.45451 -14.55000      46.31943 101.5000       42.84969 20.46638 9.524964 39.07180 10.82930 -18.60542      14.42216 
1 1 1 -9  26 50 o 26.11198 9.437614 41.13694       30.95168 30.13000       46.04573 50.21000       41.80544 25.20798 10.70741 28.11346 10.80370 -2.905476      15.21080 
1 1 1 -9  26 51 o 16.30540 7.611183 -15.64096      29.93120 -62.97000      43.43156 27.17000       41.30656 16.05747 7.897910 24.05617 10.17642 -7.998697      12.88163 
1 1 1 -9  26 52 f 16.47884 7.607653 -10.35448      28.66509 -32.90000      40.72633 11.78000       40.35337 17.33614 8.317161 21.66774 9.599104 -4.331598      12.70110 
1 1 1 -9  27 1  o 93.49949 3.762419 430.7719       34.36330 569.1000       74.28004 393.1066       38.76036 106.6040 7.160089 89.18793 4.454018 17.41606       8.432387 
1 1 1 -9  27 2  o 104.8077 3.760932 541.1069       38.52037 660.7000       80.43886 505.5206       43.87877 114.8815 7.189395 101.1675 4.441881 13.71393       8.450900 
1 1 1 -9  27 3  o 105.2233 3.243433 544.5184       33.36599 562.3000       76.85677 540.3888       37.03837 105.8434 7.466343 104.7611 3.617409 1.082275       8.296501 
1 1 1 -9  27 4  o 105.5181 3.617617 548.2516       37.30893 0.000000       0.000000 548.2516       37.30893 ?        ?        105.5181 3.617617 ?              ?        
1 1 1 -9  27 5  o 99.73396 3.572217 489.8363       34.81651 0.000000       0.000000 489.8363       34.81651 ?        ?        99.73396 3.572217 ?              ?        
1 1 1 -9  27 6  o 57.31108 3.560148 162.1749       19.87298 306.5000       61.62603 145.4244       20.99457 77.69814 8.227905 54.19584 3.985502 23.50230       9.142355 
1 1 1 -9  27 7  o 64.25764 3.390158 203.5891       21.24769 196.8000       57.29227 204.6718       22.87928 61.52787 9.844760 64.39172 3.644879 -2.863850      10.49783 
1 1 1 -9  27 8  o 60.29900 3.477343 179.4440       20.43704 129.6000       55.27753 187.3360       21.99554 49.14676 11.66635 61.58700 3.665290 -12.44024      12.22858 
1 1 1 -9  27 9  o 91.34982 3.180573 410.7027       28.39593 472.0000       71.01341 399.0363       30.98055 96.73029 7.560195 89.98389 3.524184 6.746391       8.341249 
1 1 1 -9  27 10 o 79.30414 3.244941 309.7805       25.13568 226.8000       61.83776 326.2046       27.51096 66.00273 9.874609 81.34705 3.463000 -15.34431      10.46424 
1 1 1 -9  27 11 o 116.6655 3.282548 670.0584       37.44793 648.8000       84.74032 675.2175       41.74529 113.3228 7.684988 117.0336 3.648562 -3.710739      8.507117 
1 1 1 -9  27 12 o 25.56507 5.577762 33.70636       13.56428 -13.06000      49.28426 37.53920       14.10918 23.76265 10.56321 27.01625 5.522061 -3.253599      11.91950 
1 1 1 -9  27 13 o 20.92904 5.936728 22.39858       12.72123 19.38000       49.04227 22.61633       13.17209 27.83699 11.37005 21.05505 6.063282 6.781939       12.88571 
1 1 1 -9  27 14 o 73.56167 3.243574 266.8540       23.29767 192.3000       58.18541 281.0890       25.42474 60.30512 10.22191 75.46475 3.451097 -15.15963      10.78877 
1 1 1 -9  27 15 o 81.52863 3.493672 328.1801       27.81572 0.000000       0.000000 328.1801       27.81572 ?        ?        81.52863 3.493672 ?              ?        
1 1 1 -9  27 16 o 40.66639 7.949765 86.64943       30.50973 27.55000       50.41546 120.8000       38.32402 29.15114 11.66280 48.02355 8.461908 -18.87241      14.40919 
1 1 1 -9  27 17 f 47.27407 5.963548 113.5453       26.98240 125.7000       54.66571 109.6302       31.02513 47.68581 11.78124 46.09330 7.104494 1.592506       13.75760 
1 1 1 -9  27 18 o 80.74902 3.268319 321.9608       25.77921 312.8000       64.93327 323.6749       28.08762 77.55489 8.703670 80.89866 3.555736 -3.343765      9.401975 
1 1 1 -9  27 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  27 20 o 113.8384 4.622366 645.3621       51.39904 736.0000       87.37505 597.4000       63.55969 119.9478 7.479205 108.8841 5.986671 11.06366       9.580122 
1 1 1 -9  27 21 o 17.45218 6.850248 9.640082       17.08457 60.58000       51.06897 3.220627       18.12914 34.39490 12.15734 16.24389 6.798793 18.15101       13.92927 
1 1 1 -9  27 22 o 60.99344 4.083687 185.3609       24.23998 0.000000       0.000000 185.3609       24.23998 ?        ?        60.99344 4.083687 ?              ?        
1 1 1 -9  27 23 o 82.70911 3.659745 339.3142       29.55518 0.000000       0.000000 339.3142       29.55518 ?        ?        82.70911 3.659745 ?              ?        
1 1 1 -9  27 24 o 93.01981 3.257262 427.9912       29.61172 424.9000       72.06215 428.6193       32.48068 90.16599 8.256596 92.98791 3.575216 -2.821922      8.997418 
1 1 1 -9  27 25 o 54.43731 7.050592 153.9461       36.68729 134.5000       57.37064 167.4000       47.71963 48.29940 12.14823 55.82404 9.042163 -7.524639      15.14398 
1 1 1 -9  27 26 o 84.45520 5.456923 360.7706       44.86933 305.6000       66.60984 406.6000       60.70945 75.49100 9.204486 88.74447 7.046716 -13.25347      11.59219 
1 1 1 -9  27 27 o 56.18888 6.672302 163.6057       35.98149 123.7000       53.98645 195.5000       48.26408 46.14121 11.88190 60.58802 8.360890 -14.44681      14.52873 
1 1 1 -9  27 28 o 74.14674 5.575221 280.0258       40.16685 209.5000       58.63105 342.4000       55.13868 61.40206 10.10657 81.13931 7.011268 -19.73725      12.30044 
1 1 1 -9  27 29 o 64.64246 5.877165 214.7745       36.78095 142.9000       54.08846 276.6000       50.16506 49.42059 11.41178 72.62656 7.149252 -23.20597      13.46627 
1 1 1 -9  27 30 o 26.03879 9.336233 34.15823       30.21958 -8.157000      45.89355 66.55000       40.15325 22.39224 10.05628 33.97512 10.76586 -11.58288      14.73202 
1 1 1 -9  27 31 o 18.61688 8.255192 -4.200614      29.91342 1.203000       45.61761 -8.277000      39.62124 23.25030 10.25739 20.74410 9.327676 2.506197       13.86433 
1 1 1 -9  27 32 o 36.67630 8.980231 76.65699       31.97617 11.63000       49.56995 123.0000       41.84694 25.14774 10.90097 46.33779 9.544081 -21.19005      14.48864 
1 1 1 -9  27 33 o 34.94813 9.203684 70.44619       31.91361 17.20000       48.43446 111.3000       42.42545 25.54852 10.92083 43.47759 10.15385 -17.92907      14.91192 
1 1 1 -9  27 34 o 57.24965 10.24388 192.1000       55.29649 192.1000       55.29649 0.000000       0.000000 57.24965 10.24388 ?        ?        ?              ?        
1 1 1 -9  27 35 o 31.16522 9.463830 56.71675       31.40274 30.02000       46.58009 78.96000       42.51775 26.80215 11.02896 35.78375 11.04002 -8.981598      15.60513 
1 1 1 -9  27 36 o 31.67862 11.02878 60.14000       41.92208 0.000000       0.000000 60.14000       41.92208 ?        ?        31.67862 11.02878 ?              ?        
1 1 1 -9  27 37 o 40.63491 8.430890 94.28912       32.43351 89.78000       47.65512 98.18000       44.26779 37.30817 11.71625 39.54289 11.02479 -2.234715      16.08777 
1 1 1 -9  27 38 o 53.10501 6.907188 153.0604       35.05408 183.9000       54.95134 131.9000       45.51828 54.92207 10.60577 46.60126 10.25740 8.320816       14.75455 
1 1 1 -9  27 39 o 48.06419 7.509449 128.2053       34.17430 170.2000       54.56468 101.1000       43.83707 52.21762 11.02219 39.96290 10.90515 12.25473       15.50519 
1 1 1 -9  27 40 f 24.58383 9.371941 31.33385       31.29233 -3.148000      49.88844 53.70000       40.17910 22.64897 10.29730 29.67852 10.74917 -7.029549      14.88554 
1 1 1 -9  27 41 f 25.95735 9.518196 37.97055       31.64305 74.51000       49.48805 12.70000       41.15540 33.30629 11.94686 22.82535 9.913253 10.48094       15.52417 
1 1 1 -9  27 42 o 17.41448 7.935617 -8.755747      29.84311 -23.27000      46.06236 1.744000       39.17764 19.86807 9.328104 20.97423 9.364767 -1.106165      13.21788 
1 1 1 -9  27 43 o 23.12067 9.161798 25.25008       30.82082 60.15000       48.43772 1.507000       39.95214 30.63735 11.66480 21.10761 9.438311 9.529747       15.00497 
1 1 1 -9  27 44 o 18.88439 9.002783 -34.87000      46.11883 -34.87000      46.11883 0.000000       0.000000 18.88439 9.002783 ?        ?        ?              ?        
1 1 1 -9  27 45 f 25.13739 9.470716 35.15249       31.73188 54.15000       48.01377 20.42000       42.28201 29.39844 11.50025 23.82262 10.19387 5.575819       15.36785 
1 1 1 -9  27 46 o 22.18035 9.772997 9.373000       41.28791 0.000000       0.000000 9.373000       41.28791 ?        ?        22.18035 9.772997 ?              ?        
1 1 1 -9  27 47 o 21.53970 8.872177 18.60695       30.18220 19.82000       44.81495 17.60000       40.83085 23.93303 10.36972 23.07902 9.948504 0.8540077      14.37024 
1 1 1 -9  27 48 o 26.16999 9.443612 40.69052       30.97587 84.10000       46.77918 6.794000       41.33689 34.61300 11.66185 21.74102 9.668755 12.87198       15.14871 
1 1 1 -9  27 49 o 22.24728 9.043839 22.75136       30.85112 10.77000       46.51713 32.16000       41.22145 22.84454 10.20177 25.02234 10.34366 -2.177799      14.52816 
1 1 1 -9  27 50 f 30.69575 9.536121 61.09996       31.65970 75.58000       46.62360 48.71000       43.12765 32.22049 11.59119 27.53958 10.86122 4.680918       15.88464 
1 1 1 -9  27 51 o 20.85408 8.679126 17.91603       29.29813 24.26000       41.73166 11.75000       41.14226 23.50856 10.09468 21.80447 9.674337 1.704092       13.98197 
1 1 1 -9  28 1  o 68.45865 4.743719 232.8220       31.59070 229.2000       58.68171 234.3000       37.48624 66.57341 9.255186 68.46767 5.643519 -1.894264      10.84010 
1 1 1 -9  28 2  o 73.16428 3.341436 263.8794       23.86660 321.2000       60.20436 253.1916       25.99659 79.53719 7.834669 71.60171 3.722033 7.935478       8.673843 
1 1 1 -9  28 3  o 91.46548 3.578156 412.5095       31.97305 0.000000       0.000000 412.5095       31.97305 ?        ?        91.46548 3.578156 ?              ?        
1 1 1 -9  28 4  o 103.2550 3.666323 525.7650       36.99629 0.000000       0.000000 525.7650       36.99629 ?        ?        103.2550 3.666323 ?              ?        
1 1 1 -9  28 5  o 102.8796 3.242857 521.1434       32.61525 485.1000       72.64677 530.2424       36.50061 97.91657 7.640172 103.7022 3.601351 -5.785675      8.446417 
1 1 1 -9  28 6  o 109.4941 3.937330 591.9858       42.12996 716.2000       83.73653 549.8858       48.74948 119.2518 7.207358 105.3129 4.741301 13.93889       8.627047 
1 1 1 -9  28 7  o 99.12519 3.232270 483.9348       31.31965 439.7000       70.82469 494.6878       34.91951 93.04688 7.849507 100.1531 3.567729 -7.106216      8.622266 
1 1 1 -9  28 8  o 59.32299 3.498171 173.9179       20.22266 320.9000       59.28740 154.5655       21.51281 79.41571 7.724409 55.83388 3.962083 23.58183       8.681279 
1 1 1 -9  28 9  o 67.82846 3.385926 227.0891       22.40889 187.9000       56.73528 234.3328       24.39215 59.68666 10.06903 68.86097 3.631691 -9.174309      10.70395 
1 1 1 -9  28 10 o 61.35750 3.428013 186.0060       20.50625 270.8000       57.88688 173.8381       21.92826 72.61137 8.293134 59.24497 3.801404 13.36639       9.122869 
1 1 1 -9  28 11 o 46.21355 3.922876 106.1805       17.57764 62.23000       51.95758 111.8608       18.67904 35.31427 12.27907 47.41566 4.063786 -12.10139      12.93406 
1 1 1 -9  28 12 o 21.93277 8.269053 18.69700       24.19966 -30.57000      50.33245 33.51008       27.59896 22.11868 10.16398 26.33150 8.956946 -4.212814      13.54745 
1 1 1 -9  28 13 o 35.70750 4.573405 64.20750       15.61823 16.24000       51.72280 69.01997       16.38298 27.73891 11.53710 37.03123 4.620013 -9.292320      12.42776 
1 1 1 -9  28 14 o 120.5038 3.328246 716.4478       39.21989 720.4000       87.91748 715.4659       43.82190 118.8530 7.596935 120.2988 3.726040 -1.445801      8.461489 
1 1 1 -9  28 15 o 67.09044 3.360877 222.5490       22.00059 206.0000       57.79668 225.3533       23.79169 62.24236 9.811131 67.45917 3.616333 -5.216808      10.45639 
1 1 1 -9  28 16 o 79.85394 4.262702 316.9781       33.19793 329.3000       64.63711 312.5631       38.69102 79.66987 8.415640 79.05707 5.025945 0.6128006      9.802199 
1 1 1 -9  28 17 o 18.27056 8.126680 -8.333483      29.21482 0.000000       0.000000 -8.333483      29.21482 ?        ?        18.27056 8.126680 ?              ?        
1 1 1 -9  28 18 o 46.13404 4.594672 106.8539       20.47272 109.7000       54.28792 106.3820       22.10479 44.10238 12.17612 45.92639 4.997710 -1.824017      13.16188 
1 1 1 -9  28 19 o 39.50907 6.142940 80.40523       22.98473 99.93000       54.07582 76.10000       25.39267 42.02736 12.33852 38.12554 7.064428 3.901817       14.21778 
1 1 1 -9  28 20 f 56.85501 4.458606 161.7829       24.61434 96.24000       55.40154 177.9025       27.47495 41.17813 12.58345 59.54866 4.753089 -18.37053      13.45121 
1 1 1 -9  28 21 o 33.73677 6.190718 59.21225       19.69015 0.000000       0.000000 59.21225       19.69015 ?        ?        33.73677 6.190718 ?              ?        
1 1 1 -9  28 22 o 57.55839 3.953902 165.1733       22.14086 70.72000       58.64675 180.8732       23.91028 36.40190 13.01150 60.20827 4.081283 -23.80638      13.63657 
1 1 1 -9  28 23 o 56.54103 3.946035 159.5156       21.70183 74.95000       55.53693 174.7555       23.57637 36.84285 12.70080 59.14911 4.097464 -22.30626      13.34540 
1 1 1 -9  28 24 o 77.39426 3.309827 296.8944       25.01591 255.0000       62.35658 304.9302       27.30991 68.64982 9.536956 78.35630 3.570118 -9.706482      10.18328 
1 1 1 -9  28 25 o 80.16027 5.497415 325.7824       42.87328 318.7000       65.12383 331.2000       56.95741 77.27884 8.763964 79.74077 7.381076 -2.461929      11.45807 
1 1 1 -9  28 26 o 106.7662 5.165223 575.9531       53.81936 505.4000       77.49054 641.7000       74.80463 97.72254 8.176042 111.3657 6.896148 -13.64317      10.69600 
1 1 1 -9  28 27 o 82.47924 5.296628 345.6217       42.53522 305.4000       62.03941 381.3000       58.43044 75.33391 8.565294 85.47076 7.046724 -10.13686      11.09146 
1 1 1 -9  28 28 o 46.00696 7.614975 113.8028       33.09385 81.31000       49.42983 140.2000       44.55275 36.98272 11.96828 50.06096 9.438259 -13.07824      15.24206 
1 1 1 -9  28 29 f 26.83366 9.385567 37.84856       30.38052 68.87000       46.88739 15.40000       39.88589 34.26950 11.67429 24.02338 10.07166 10.24612       15.41841 
1 1 1 -9  28 30 o 32.86534 9.305595 61.97135       31.28410 75.78000       47.83370 51.65000       41.35488 35.37189 11.79090 30.44993 10.92125 4.921963       16.07168 
1 1 1 -9  28 31 o 26.20014 9.321963 36.14272       30.06874 13.94000       46.93414 51.60000       39.16087 24.89899 10.69879 30.23170 10.64949 -5.332708      15.09556 
1 1 1 -9  28 32 o 25.30871 10.79363 17.71000       47.11987 17.71000       47.11987 0.000000       0.000000 25.30871 10.79363 ?        ?        ?              ?        
1 1 1 -9  28 33 o 27.15492 11.07603 32.14000       46.45981 32.14000       46.45981 0.000000       0.000000 27.15492 11.07603 ?        ?        ?              ?        
1 1 1 -9  28 34 o 72.11478 5.650272 270.6240       39.56586 205.3000       55.36628 338.8000       56.56203 59.31382 9.884017 79.12543 7.388441 -19.81161      12.34029 
1 1 1 -9  28 35 o 29.20598 10.91319 48.02000       41.95020 0.000000       0.000000 48.02000       41.95020 ?        ?        29.20598 10.91319 ?              ?        
1 1 1 -9  28 36 o 32.13696 9.375607 61.36576       31.30855 43.51000       45.28909 77.71000       43.32981 28.46448 11.15906 35.05269 11.19245 -6.588205      15.80492 
1 1 1 -9  28 37 o 25.19203 9.315904 33.79387       30.41911 30.64000       46.86475 36.09000       39.98738 26.46074 10.99173 26.57626 10.46539 -0.1155205     15.17704 
1 1 1 -9  28 38 o 31.19194 9.410327 58.53193       31.11969 103.5000       48.77559 27.66000       40.41404 39.53420 11.74740 25.11120 10.29656 14.42301       15.62116 
1 1 1 -9  28 39 o 33.45733 9.344138 68.11850       31.77055 78.46000       50.97572 61.55000       40.62606 34.01760 12.13391 31.17926 10.85683 2.838339       16.28197 
1 1 1 -9  28 40 o 44.86065 8.026265 115.3914       33.95000 135.4000       52.92355 101.4000       44.25584 44.78220 11.87980 39.33736 11.04363 5.444839       16.22009 
1 1 1 -9  28 41 o 38.45527 8.853482 88.45345       32.63560 51.25000       49.43176 117.2000       43.45176 29.14491 11.58542 42.94013 10.44055 -13.79522      15.59574 
1 1 1 -9  28 42 o 22.21670 9.048076 20.70038       30.94765 45.33000       48.80771 4.140000       40.02163 28.17255 11.40350 21.38954 9.512992 6.783005       14.85048 
1 1 1 -9  28 43 o 53.62018 10.83022 184.1000       54.88285 184.1000       54.88285 0.000000       0.000000 53.62018 10.83022 ?        ?        ?              ?        
1 1 1 -9  28 44 o 17.19070 7.874187 -9.977674      29.88153 4.941000       45.96210 -20.90000      39.32714 22.44350 10.07278 18.45805 8.651133 3.985456       13.27792 
1 1 1 -9  28 45 o 29.99944 10.99789 58.24000       42.24245 0.000000       0.000000 58.24000       42.24245 ?        ?        29.99944 10.99789 ?              ?        
1 1 1 -9  28 46 o 20.82135 8.796818 14.04221       30.80160 108.3000       47.01060 -56.86000      40.77248 39.61043 11.46908 15.96638 7.811671 23.64404       13.87667 
1 1 1 -9  28 47 o 26.81937 9.468752 43.63641       30.97176 52.95000       45.85017 35.82000       42.00356 28.83532 11.25027 25.84732 10.53569 2.988007       15.41328 
1 1 1 -9  28 48 o 23.57528 9.180387 29.86936       30.48391 -1.809000      44.76173 57.27000       41.62995 21.18112 9.677559 29.34166 10.88938 -8.160534      14.56824 
1 1 1 -9  28 49 o 26.67108 9.404379 44.64242       30.54456 15.52000       44.33696 70.95000       42.13981 22.83420 10.09139 31.69759 11.05598 -8.863386      14.96900 
1 1 1 -9  28 50 o 29.66069 9.438028 57.34048       30.83192 85.74000       45.02237 32.26000       42.30978 34.12655 11.44032 24.69451 10.36441 9.432037       15.43703 
1 1 1 -9  29 1  o 34.45872 5.245700 60.28476       17.13574 2.184000       50.29816 67.91368       18.22606 25.71243 11.06230 36.61948 5.233476 -10.90705      12.23780 
1 1 1 -9  29 2  o 143.2420 4.865935 1018.708       68.12583 0.000000       0.000000 1018.708       68.12583 ?        ?        143.2420 4.865935 ?              ?        
1 1 1 -9  29 3  o 53.43823 4.529343 142.3634       23.46860 0.000000       0.000000 142.3634       23.46860 ?        ?        53.43823 4.529343 ?              ?        
1 1 1 -9  29 4  o 29.96745 5.605982 46.12450       15.83968 80.84000       49.82950 42.22233       16.70620 38.81527 11.94747 28.53605 6.161664 10.27921       13.44277 
1 1 1 -9  29 5  o 51.28441 3.834038 130.5354       19.10704 202.7000       54.67006 120.4941       20.39308 62.23809 9.255281 49.17512 4.279307 13.06297       10.19670 
1 1 1 -9  29 6  o 38.68213 4.506644 75.08385       16.74435 59.77000       51.21243 76.91688       17.71816 34.72287 12.18269 39.11090 4.723805 -4.388031      13.06646 
1 1 1 -9  29 7  o 59.07403 3.524553 172.6898       20.28747 259.5000       58.00842 160.5921       21.65499 70.80963 8.541725 56.88580 3.912926 13.92383       9.395321 
1 1 1 -9  29 8  o 13.21678 5.662735 -0.3357176     13.07790 21.19000       48.33970 -2.035669      13.58449 27.75937 11.30717 13.06564 5.684743 14.69373       12.65576 
1 1 1 -9  29 9  o 40.41911 4.255751 81.76141       16.58480 63.79000       51.91455 83.80397       17.50193 35.39068 12.27577 40.88595 4.444707 -5.495274      13.05565 
1 1 1 -9  29 10 o 65.11932 3.443986 209.7715       21.87412 220.6000       57.56189 207.9438       23.64815 64.70290 9.360429 64.77120 3.745982 -0.6829834E-01 10.08216 
1 1 1 -9  29 11 o 56.16010 3.583991 156.3511       19.59876 171.1000       56.02160 154.2943       20.92078 56.25481 10.56172 55.73148 3.858879 0.5233269      11.24460 
1 1 1 -9  29 12 o 104.5083 3.262143 539.0928       33.32941 480.4000       74.29865 553.8791       37.29210 96.66077 7.922249 105.8346 3.605100 -9.173859      8.703952 
1 1 1 -9  29 13 o 64.21950 3.426096 204.1398       21.45843 152.4000       56.70253 212.7884       23.18261 52.54256 11.35685 65.52511 3.628670 -12.98254      11.92247 
1 1 1 -9  29 14 o 49.28043 3.753078 120.7977       17.96758 199.3000       54.91974 111.3881       19.01394 61.19570 9.474491 47.22340 4.155824 13.97231       10.34586 
1 1 1 -9  29 15 o 59.71972 3.481457 176.7835       20.26272 204.2000       56.78245 172.7829       21.69079 61.77290 9.711062 58.97160 3.777601 2.801296       10.41993 
1 1 1 -9  29 16 o 33.38291 4.937047 56.74407       15.64646 30.54000       51.01035 59.46550       16.43887 29.29692 11.72792 34.15466 5.070876 -4.857744      12.77724 
1 1 1 -9  29 17 o 30.60618 9.787221 49.43017       33.12307 103.9000       50.95304 9.565000       43.59021 42.86812 11.78088 24.73039 10.45741 18.13773       15.75267 
1 1 1 -9  29 18 o 41.86981 4.669618 88.45081       18.81228 126.1000       53.18977 83.06788       20.11222 47.20652 11.59635 40.41308 5.205046 6.793446       12.71094 
1 1 1 -9  29 19 o 49.86720 5.017559 125.6216       24.15883 0.000000       0.000000 125.6216       24.15883 ?        ?        49.86720 5.017559 ?              ?        
1 1 1 -9  29 20 o 59.76344 6.064816 182.4000       34.98727 0.000000       0.000000 182.4000       34.98727 ?        ?        59.76344 6.064816 ?              ?        
1 1 1 -9  29 21 f 83.40015 3.415662 344.8571       27.82453 277.1000       62.84979 361.3746       31.03122 71.93851 9.131001 85.27356 3.726733 -13.33504      9.862238 
1 1 1 -9  29 22 o 121.0953 3.427305 726.8444       40.58347 612.0000       84.76730 760.9965       46.22557 108.0457 8.073580 123.7208 3.821681 -15.67512      8.932409 
1 1 1 -9  29 23 o 86.71432 3.324785 372.8554       28.16796 293.0000       65.03976 391.2915       31.25080 73.70792 9.215680 88.73452 3.605518 -15.02660      9.895884 
1 1 1 -9  29 24 o 51.02949 7.286190 137.3350       35.36168 82.65000       53.70112 179.2000       46.98671 37.69051 12.49106 57.66143 8.586497 -19.97092      15.15765 
1 1 1 -9  29 25 f 66.23808 5.925806 225.5164       38.01493 220.1000       57.58537 229.7000       50.61000 63.09118 9.629364 65.57558 8.053681 -2.484398      12.55334 
1 1 1 -9  29 26 o 70.17006 5.728625 252.8975       39.00460 176.1000       56.98327 320.6000       53.50277 55.14303 10.94355 78.12953 7.072610 -22.98650      13.03008 
1 1 1 -9  29 27 o 39.58565 8.684717 87.50101       32.72422 10.54000       48.40186 152.3000       44.41307 25.01662 10.80792 52.35073 8.991080 -27.33412      14.05883 
1 1 1 -9  29 28 o 41.86935 8.311331 97.39909       32.86019 60.79000       50.11984 125.0000       43.51881 32.57888 11.97354 46.52513 9.862713 -13.94625      15.51253 
1 1 1 -9  29 29 o 66.83430 5.783311 231.7751       37.46206 219.4000       56.97449 241.2000       49.72175 62.01252 9.704264 66.73343 7.756314 -4.720913      12.42309 
1 1 1 -9  29 30 o 68.49384 5.764543 243.8377       38.28927 192.8000       58.23617 282.7000       50.81726 56.87538 10.85664 72.59481 7.248335 -15.71943      13.05393 
1 1 1 -9  29 31 o 35.41196 12.27545 79.11000       51.90810 79.11000       51.90810 0.000000       0.000000 35.41196 12.27545 ?        ?        ?              ?        
1 1 1 -9  29 32 o 24.71353 9.356011 30.07591       31.05346 65.79000       45.90887 -0.4701000E-01 42.16240 32.82776 11.53332 21.95794 9.765044 10.86982       15.11203 
1 1 1 -9  29 33 o 26.79706 10.73123 33.79000       42.72510 0.000000       0.000000 33.79000       42.72510 ?        ?        26.79706 10.73123 ?              ?        
1 1 1 -9  29 34 o 26.43678 10.78524 31.43000       44.06283 0.000000       0.000000 31.43000       44.06283 ?        ?        26.43678 10.78524 ?              ?        
1 1 1 -9  29 35 o 27.93013 9.520185 45.06678       31.18141 54.01000       45.73655 37.30000       42.62232 30.21903 11.37343 27.11565 10.76465 3.103384       15.65991 
1 1 1 -9  29 36 o 32.73449 9.240680 64.09054       30.89664 39.35000       47.35391 82.43000       40.77036 27.74846 11.23219 36.10394 10.74320 -8.355480      15.54279 
1 1 1 -9  29 37 o 42.39856 8.196171 103.1619       32.78411 124.9000       50.91892 87.77000       42.84651 43.45715 11.70878 36.82796 11.02646 6.629196       16.08348 
1 1 1 -9  29 38 o 46.22462 7.748144 121.1938       33.81776 88.98000       51.69059 145.3000       44.71521 35.73724 12.25556 48.91343 9.682238 -13.17619      15.61872 
1 1 1 -9  29 39 o 29.58334 9.484068 53.65029       31.08828 67.63000       47.71720 43.34000       40.97900 31.88578 11.68895 27.42778 10.65430 4.457998       15.81600 
1 1 1 -9  29 40 f 34.49179 9.272152 72.96294       31.97536 90.91000       48.27033 58.93000       42.68330 36.27188 11.83367 30.32935 11.06521 5.942532       16.20107 
1 1 1 -9  29 41 o 21.44293 8.868802 17.35198       30.32662 51.68000       47.87012 -5.662000      39.19548 29.00499 11.44169 20.01493 9.110475 8.990057       14.62576 
1 1 1 -9  29 42 o 49.17943 11.38998 160.5000       53.74981 160.5000       53.74981 0.000000       0.000000 49.17943 11.38998 ?        ?        ?              ?        
1 1 1 -9  29 43 o 18.77599 8.295943 1.820122       29.94678 27.87000       46.27564 -16.95000      39.28106 25.25420 10.73085 18.80123 8.757230 6.452965       13.85064 
1 1 1 -9  29 44 o 20.66582 9.335433 -0.9992000     40.21536 0.000000       0.000000 -0.9992000     40.21536 ?        ?        20.66582 9.335433 ?              ?        
1 1 1 -9  29 45 o 54.72987 6.727112 165.9310       35.28066 172.0000       52.12459 160.8000       47.92796 51.49462 10.69146 50.49056 10.05127 1.004059       14.67431 
1 1 1 -9  29 46 o 32.57054 9.450539 67.02828       31.88857 80.38000       47.92431 56.42000       42.71791 33.60701 11.78557 29.37202 11.00496 4.234989       16.12479 
1 1 1 -9  29 47 o 19.76650 8.532470 9.499177       30.11626 39.24000       45.87274 -13.03000      39.92554 26.34285 10.90266 19.08243 8.868073 7.260427       14.05385 
1 1 1 -9  29 48 o 44.97989 7.962783 119.8115       33.77543 105.9000       48.90316 132.5000       46.70403 37.70285 11.87261 43.97548 10.90427 -6.272629      16.12024 
1 1 1 -9  29 49 o 19.40593 8.386929 9.758223       29.16686 0.4517000      41.38803 18.94000       41.10972 20.50417 9.344256 22.66971 9.875944 -2.165543      13.59593 
1 1 1 -9  30 1  o 71.20054 4.565499 252.6801       31.65069 0.000000       0.000000 252.6801       31.65069 ?        ?        71.20054 4.565499 ?              ?        
1 1 1 -9  30 2  o 124.0516 3.386733 759.7136       41.08498 814.1000       93.20596 746.5978       45.77170 126.2756 7.575642 122.8339 3.811521 3.441696       8.480451 
1 1 1 -9  30 3  o 81.27164 3.758238 327.1299       29.81619 273.6000       62.93732 342.6204       33.85654 72.23837 9.102573 83.06310 4.177579 -10.82473      10.01544 
1 1 1 -9  30 4  o 100.5377 3.684551 500.0716       36.19801 583.1000       77.03072 476.5411       41.00777 106.8785 7.409073 97.95374 4.287382 8.924782       8.560142 
1 1 1 -9  30 5  o 81.29116 3.333740 326.5051       26.47030 329.1000       64.43555 325.9783       29.03323 79.66150 8.389435 81.14566 3.664765 -1.484161      9.154950 
1 1 1 -9  30 6  o 20.26292 6.550323 20.24129       14.80892 20.73000       49.95911 20.19422       15.50578 27.85334 11.43751 20.36411 6.710536 7.489225       13.26077 
1 1 1 -9  30 7  o 53.43317 3.772637 141.8567       19.60474 216.0000       56.34378 131.6438       20.91142 63.93106 9.274285 51.37163 4.195164 12.55943       10.17899 
1 1 1 -9  30 8  o 54.95770 3.694479 149.9672       19.75866 203.2000       55.79261 142.3334       21.12794 61.81785 9.526114 53.45213 4.068754 8.365715       10.35865 
1 1 1 -9  30 9  o 28.20408 5.624581 41.18847       14.98286 85.73000       49.03352 36.60137       15.73547 39.34978 11.79903 26.45691 6.187267 12.89287       13.32289 
1 1 1 -9  30 10 o 53.30467 3.792534 141.2932       19.65871 145.1000       54.22458 140.7171       21.09378 51.23343 11.13166 53.12785 4.087667 -1.894413      11.85845 
1 1 1 -9  30 11 o 58.83107 3.602203 171.7525       20.64401 143.7000       55.83729 176.1942       22.21831 50.74298 11.50774 59.53609 3.832994 -8.793114      12.12930 
1 1 1 -9  30 12 o 96.56691 3.259137 460.8675       30.76199 417.9000       68.99093 471.5298       34.36746 89.82676 7.927858 97.57343 3.604598 -7.746666      8.708849 
1 1 1 -9  30 13 o 46.48868 3.875733 107.8204       17.47599 66.78000       50.97523 113.2865       18.60342 35.41007 12.16953 47.62460 4.028509 -12.21453      12.81899 
1 1 1 -9  30 14 o 16.65170 6.211158 10.97479       13.57669 0.6081000E-01  47.59662 11.94145       14.16519 24.37188 10.62191 17.15714 6.354872 7.214743       12.37777 
1 1 1 -9  30 15 o 75.66872 3.828321 284.5821       28.26296 231.2000       59.38819 300.2122       32.13532 65.61815 9.524342 77.58844 4.247557 -11.97029      10.42856 
1 1 1 -9  30 16 o 68.15884 3.876118 231.1845       25.75321 164.5000       56.02795 249.0475       28.99809 54.37436 10.90678 70.64703 4.212557 -16.27267      11.69203 
1 1 1 -9  30 17 o 67.57431 4.796516 229.3436       31.51967 120.3000       55.75000 280.5755       38.21336 45.64877 12.23080 74.58462 5.268211 -28.93585      13.31715 
1 1 1 -9  30 18 f 67.16090 5.663897 229.0852       36.88715 0.000000       0.000000 229.0852       36.88715 ?        ?        67.16090 5.663897 ?              ?        
1 1 1 -9  30 19 o 86.84210 3.638617 374.6955       30.86097 0.000000       0.000000 374.6955       30.86097 ?        ?        86.84210 3.638617 ?              ?        
1 1 1 -9  30 20 o 16.81198 7.190022 1.247385       21.01380 0.000000       0.000000 1.247385       21.01380 ?        ?        16.81198 7.190022 ?              ?        
1 1 1 -9  30 21 o 88.84087 4.489023 395.7309       38.91000 0.000000       0.000000 395.7309       38.91000 ?        ?        88.84087 4.489023 ?              ?        
1 1 1 -9  30 22 o 56.38680 4.708311 160.6876       25.74958 204.9000       55.69295 148.6669       29.03985 60.93594 9.659061 53.87587 5.587776 7.060066       11.15889 
1 1 1 -9  30 23 f 35.85791 5.571052 66.72050       18.91924 94.10000       50.43835 62.23755       20.40941 39.73897 11.97841 34.34688 6.302874 5.392090       13.53546 
1 1 1 -9  30 24 o 51.58554 7.021109 140.8561       34.53265 123.9000       52.60048 153.7000       45.77991 45.43616 11.74281 52.57254 9.233018 -7.136372      14.93795 
1 1 1 -9  30 25 o 57.16852 6.578840 171.6656       36.14357 173.3000       54.71070 170.4000       48.14578 54.67162 10.60635 55.23647 9.230303 -0.5648575     14.06034 
1 1 1 -9  30 26 o 59.73539 6.325122 187.1514       36.42220 140.6000       53.81438 226.5000       49.47619 48.05077 11.57906 64.54485 8.002497 -16.49408      14.07532 
1 1 1 -9  30 27 o 30.87741 9.468844 54.77053       31.33500 44.09000       47.98703 62.71000       41.37357 29.44069 11.50280 32.60970 10.96728 -3.169010      15.89326 
1 1 1 -9  30 28 o 33.43270 9.214746 64.69088       31.12177 59.83000       49.03403 67.97000       40.27348 32.07704 11.83381 33.67563 10.79444 -1.598591      16.01746 
1 1 1 -9  30 29 o 59.43554 6.370799 186.9092       36.48584 118.8000       55.76150 237.9000       48.24777 42.70721 12.52698 66.13136 7.591025 -23.42416      14.64749 
1 1 1 -9  30 30 o 35.30003 12.20991 79.20000       51.34330 79.20000       51.34330 0.000000       0.000000 35.30003 12.20991 ?        ?        ?              ?        
1 1 1 -9  30 31 f 41.38454 8.374785 97.11399       32.75887 81.94000       48.44287 109.9000       44.46799 35.83232 11.86335 42.31018 10.72488 -6.477859      15.99256 
1 1 1 -9  30 32 o 35.83555 11.06838 80.59000       42.72229 0.000000       0.000000 80.59000       42.72229 ?        ?        35.83555 11.06838 ?              ?        
1 1 1 -9  30 33 o 76.66247 5.611646 307.3242       41.81771 267.7000       60.06344 344.6000       58.25630 67.96475 9.269960 79.14201 7.614055 -11.17725      11.99608 
1 1 1 -9  30 34 o 46.85356 7.633082 122.5461       33.80250 106.6000       49.96882 136.0000       45.89810 40.09561 11.88423 47.20065 10.23019 -7.105038      15.68093 
1 1 1 -9  30 35 o 29.59397 9.508519 52.41454       31.23641 2.716000       47.83174 89.37000       41.24617 22.98272 10.29823 37.54015 10.70366 -14.55743      14.85335 
1 1 1 -9  30 36 o 28.69820 9.469666 49.47713       30.87436 73.98000       47.76281 31.89000       40.46494 33.34108 11.75969 25.60608 10.37650 7.735006       15.68318 
1 1 1 -9  30 37 o 40.95901 8.282101 97.68177       32.06179 72.06000       47.88638 118.5000       43.16475 32.74392 11.75111 43.34426 10.32250 -10.60034      15.64106 
1 1 1 -9  30 38 o 19.98136 8.545477 9.567863       29.68357 9.796000       45.21018 9.395000       39.35421 22.94013 10.16170 21.89106 9.596836 1.049072       13.97710 
1 1 1 -9  30 39 o 23.99192 9.231087 30.05360       30.54657 1.792000       46.35833 51.74000       40.60908 22.25178 10.04014 28.90963 10.75010 -6.657852      14.70949 
1 1 1 -9  30 40 o 19.68813 8.527011 7.268503       30.27782 6.139000       47.15228 8.061000       39.49640 22.74522 10.20574 21.66621 9.552053 1.079008       13.97852 
1 1 1 -9  30 41 o 33.83664 11.92187 80.57000       49.07949 80.57000       49.07949 0.000000       0.000000 33.83664 11.92187 ?        ?        ?              ?        
1 1 1 -9  30 42 o 19.15614 8.374752 4.804496       29.78716 -19.75000      45.40968 23.35000       39.46410 19.83868 9.297545 23.73591 9.988824 -3.897226      13.64628 
1 1 1 -9  30 43 o 26.32374 10.56999 38.60000       41.56697 0.000000       0.000000 38.60000       41.56697 ?        ?        26.32374 10.56999 ?              ?        
1 1 1 -9  30 44 o 22.31055 9.024467 22.93999       30.54326 -20.94000      44.86303 60.85000       41.69964 19.51196 9.175023 30.22054 10.94995 -10.70858      14.28575 
1 1 1 -9  30 45 o 27.75474 9.558500 48.07844       31.45304 -8.873000      46.12704 97.57000       43.00004 20.80031 9.619623 37.82520 10.97392 -17.02490      14.59329 
1 1 1 -9  30 46 o 52.10030 7.014648 153.4423       34.86470 195.0000       52.65574 121.0000       46.52390 55.13589 10.12993 41.82788 11.15780 13.30801       15.07024 
1 1 1 -9  30 47 o 30.86250 9.580435 62.53497       31.96161 158.2000       47.77324 -14.98000      43.00321 48.98755 10.29086 19.33321 9.056533 29.65434       13.70848 
1 1 1 -9  30 48 o 19.81524 8.517644 11.82241       29.76970 33.08000       43.02143 -7.708000      41.23668 24.74159 10.42167 19.58182 9.069852 5.159779       13.81569 
1 1 1 -9  31 1  o 72.51136 4.390000 262.1656       31.01255 311.0000       63.55665 246.9047       35.52937 77.11728 8.564071 70.09483 5.215779 7.022453       10.02735 
1 1 1 -9  31 2  o 79.36957 3.409288 311.7137       26.42470 344.5000       64.81131 305.1769       28.93928 81.37704 8.250490 78.43301 3.780624 2.944031       9.075445 
1 1 1 -9  31 3  o 40.17427 4.602127 81.31895       17.77098 107.2000       53.38531 78.09368       18.84578 43.55302 12.09367 39.25298 5.019676 4.300049       13.09404 
1 1 1 -9  31 4  o 41.40528 4.900370 86.64856       19.47602 168.4000       54.29328 74.57526       20.86466 55.60157 10.35690 38.13226 5.770207 17.46931       11.85583 
1 1 1 -9  31 5  o 70.64889 3.881784 248.0146       26.74057 223.8000       60.25945 253.9521       29.83950 64.54453 9.849549 71.37383 4.290980 -6.829300      10.74366 
1 1 1 -9  31 6  o 45.83996 4.213425 105.1924       18.69407 142.6000       53.84910 100.0664       19.93380 50.60811 11.17009 44.59473 4.634178 6.013386       12.09324 
1 1 1 -9  31 7  o 45.95401 4.125028 105.6353       18.35761 137.9000       52.61605 101.1633       19.58853 49.75986 11.08661 44.86490 4.522197 4.894958       11.97344 
1 1 1 -9  31 8  o 38.84410 4.591089 76.15788       17.11912 71.68000       49.59990 76.76344       18.23997 36.25408 12.00423 38.92078 4.895881 -2.666695      12.96423 
1 1 1 -9  31 9  o 19.93879 6.427585 19.76214       14.26550 17.01000       48.86087 20.01859       14.91536 26.85022 11.19408 20.13758 6.578563 6.712645       12.98403 
1 1 1 -9  31 10 f 100.3324 3.305221 497.9620       32.41565 496.4000       72.71835 498.3494       36.21262 97.95601 7.644644 100.2380 3.697141 -2.282013      8.491728 
1 1 1 -9  31 11 o 19.43968 6.293255 18.73383       13.66637 29.75000       47.19652 17.72562       14.27805 28.37319 11.30675 19.17483 6.442714 9.198357       13.01349 
1 1 1 -9  31 12 o 83.66679 3.302215 346.5541       26.99050 306.6000       61.93203 355.9218       29.98813 76.32297 8.430311 84.69293 3.625786 -8.369965      9.176953 
1 1 1 -9  31 13 o 31.22446 5.108357 50.04882       15.07348 7.484000       47.79731 54.74954       15.88402 25.24215 10.82061 32.68195 5.134408 -7.439800      11.97696 
1 1 1 -9  31 14 o 32.66662 5.566947 55.13253       17.16266 70.65000       48.11711 52.87055       18.37102 35.75092 11.82289 31.81423 6.121562 3.936689       13.31369 
1 1 1 -9  31 15 o 54.06046 3.809919 145.7831       20.03140 61.69000       50.46656 161.5096       21.82423 34.05540 12.08085 56.87730 3.944507 -22.82190      12.70850 
1 1 1 -9  31 16 o 25.80154 6.170650 35.14429       15.37370 18.87000       46.99765 37.09440       16.26874 26.48112 11.00435 26.47842 6.357520 0.2700806E-02  12.70881 
1 1 1 -9  31 17 o 56.14997 6.464921 162.9491       34.88419 0.000000       0.000000 162.9491       34.88419 ?        ?        56.14997 6.464921 ?              ?        
1 1 1 -9  31 18 o 28.57042 8.571749 44.02032       25.87296 84.12000       48.80789 28.34823       30.51286 38.16330 11.83776 25.02994 9.316300 13.13336       15.06406 
1 1 1 -9  31 19 o 16.69409 6.665737 8.186213       16.43548 -40.33000      44.86647 15.70565       17.66327 19.24001 9.086368 19.17870 7.097633 0.6130791E-01  11.52989 
1 1 1 -9  31 20 o 29.85322 7.169261 48.08145       20.68517 53.56000       48.88523 46.88661       22.82966 31.92576 11.80907 29.33663 7.811753 2.589130       14.15901 
1 1 1 -9  31 21 o 45.00605 7.954255 109.6990       33.75969 103.2000       50.90963 114.8000       45.10287 41.44741 11.91528 44.58423 10.50820 -3.136818      15.88698 
1 1 1 -9  31 22 o 78.95107 4.979728 316.7161       38.28704 0.000000       0.000000 316.7161       38.28704 ?        ?        78.95107 4.979728 ?              ?        
1 1 1 -9  31 23 o 40.59413 4.820893 84.45430       18.78201 30.84000       51.80787 92.56705       20.15299 28.15946 11.61392 42.47638 4.939153 -14.31692      12.62055 
1 1 1 -9  31 24 f 41.73455 11.84821 108.2000       50.64768 108.2000       50.64768 0.000000       0.000000 41.73455 11.84821 ?        ?        ?              ?        
1 1 1 -9  31 25 o 49.05278 7.390932 130.3655       34.38602 52.95000       51.81312 191.3000       45.96821 31.13150 12.01077 58.97794 8.182876 -27.84644      14.53334 
1 1 1 -9  31 26 o 59.93906 6.290972 189.2691       36.35974 113.9000       54.83713 248.4000       48.57192 42.06368 12.44516 67.82908 7.437659 -25.76540      14.49830 
1 1 1 -9  31 27 o 52.97347 6.825498 150.4777       34.56987 113.8000       52.79862 178.0000       45.73666 42.08245 12.14557 56.35699 8.559896 -14.27454      14.85889 
1 1 1 -9  31 28 o 27.23708 9.659435 40.92450       32.26160 79.76000       48.17604 9.349000       43.44019 35.50776 11.83294 23.38036 10.16920 12.12739       15.60228 
1 1 1 -9  31 29 o 39.80386 11.59162 101.0000       47.89569 101.0000       47.89569 0.000000       0.000000 39.80386 11.59162 ?        ?        ?              ?        
1 1 1 -9  31 30 o 43.12964 7.942091 104.2689       32.29364 81.22000       46.30260 126.1000       45.06282 35.66620 11.58673 45.63073 10.33042 -9.964523      15.52321 
1 1 1 -9  31 31 o 50.93548 9.568166 153.1000       45.95289 0.000000       0.000000 153.1000       45.95289 ?        ?        50.93548 9.568166 ?              ?        
1 1 1 -9  31 32 o 54.25286 6.650590 158.9928       34.57961 141.3000       52.55515 172.5000       45.91966 46.86556 11.53557 54.65385 8.888806 -7.788288      14.56298 
1 1 1 -9  31 33 o 30.95464 9.352758 57.59546       30.72365 65.93000       47.49901 51.60000       40.28610 32.12231 11.67975 29.36388 10.74418 2.758438       15.86991 
1 1 1 -9  31 34 o 20.93818 8.719489 14.26432       29.59757 38.86000       46.74053 -2.200000      38.24161 27.35188 11.12700 20.41373 9.172747 6.938143       14.42045 
1 1 1 -9  31 35 o 23.17055 9.104128 25.97516       30.20305 6.630000       46.95313 39.63000       39.44770 22.96147 10.25204 26.70166 10.43022 -3.740196      14.62511 
1 1 1 -9  31 36 o 27.56927 9.318636 45.63703       29.86919 87.74000       45.37430 13.44000       39.67907 35.96802 11.45000 22.51824 9.757083 13.44977       15.04337 
1 1 1 -9  31 37 o 17.32904 7.875537 -7.344414      29.14658 -14.70000      43.60129 -1.402000      39.18972 20.00851 9.287783 20.48525 9.238253 -0.4767380     13.09993 
1 1 1 -9  31 38 f 21.13238 8.793443 15.92201       30.06761 7.591000       45.50085 22.38000       40.06079 22.69922 10.11640 23.79241 10.04114 -1.093197      14.25363 
1 1 1 -9  31 39 o 21.26156 8.905491 15.94280       31.13978 85.99000       47.32545 -37.54000      41.35294 35.04853 11.72899 17.49184 8.388969 17.55669       14.42026 
1 1 1 -9  31 40 o 19.89027 8.598530 8.377377       30.67330 18.19000       45.81049 0.4031000      41.29696 23.84636 10.40630 20.99755 9.475043 2.848804       14.07365 
1 1 1 -9  31 41 o 24.93955 10.30451 30.49000       40.88335 0.000000       0.000000 30.49000       40.88335 ?        ?        24.93955 10.30451 ?              ?        
1 1 1 -9  31 42 o 31.85246 9.450569 64.05254       31.58607 80.40000       47.10771 50.70000       42.57441 33.71635 11.69373 28.34843 10.90039 5.367916       15.98630 
1 1 1 -9  31 43 o 26.09125 9.437507 40.98813       30.95862 74.56000       46.08129 13.37000       41.79593 32.52793 11.54354 22.48922 9.873631 10.03870       15.19020 
1 1 1 -9  31 44 o 23.87655 9.219654 31.36154       30.54901 13.71000       44.89642 46.58000       41.68748 22.89607 10.13506 27.36341 10.71243 -4.467348      14.74706 
1 1 1 -9  31 45 o 18.17070 8.132403 -0.9759341E-01 29.73301 -11.13000      44.00771 9.168000       40.33019 19.98033 9.293849 21.49601 9.555601 -1.515678      13.32986 
1 1 1 -9  31 46 o 25.05815 9.377099 38.35650       30.99510 40.75000       46.15184 36.39000       41.83307 26.10251 10.88061 25.21551 10.42149 0.8869934      15.06636 
1 1 1 -9  31 47 o 31.32506 9.505235 65.21687       31.68625 151.6000       45.86788 -13.64000      43.82420 47.76867 10.12463 19.43300 9.115841 28.33566       13.62376 
1 1 1 -9  32 1  o 45.63824 5.174550 105.6544       22.70827 122.9000       53.58638 101.8795       25.07067 46.41000 11.77820 44.57713 5.889730 1.832870       13.16871 
1 1 1 -9  32 2  o 57.51096 5.112379 166.9473       28.47967 195.4000       55.88031 156.9635       33.10130 59.99446 9.857791 55.35168 6.216874 4.642788       11.65442 
1 1 1 -9  32 3  o 107.2440 3.353766 569.2468       35.16233 636.7000       80.39799 553.2929       39.10011 111.0569 7.438842 105.5656 3.790136 5.491264       8.348742 
1 1 1 -9  32 4  o 33.71426 5.414917 58.44379       17.26460 121.9000       51.73480 50.49139       18.31449 46.33427 11.46916 31.05739 6.241300 15.27688       13.05739 
1 1 1 -9  32 5  o 33.06330 5.904298 56.73264       18.40704 25.79000       49.56885 61.68198       19.82458 28.12977 11.45302 34.44828 6.102718 -6.318510      12.97748 
1 1 1 -9  32 6  o 31.59730 5.955913 51.97767       17.74519 43.72000       47.92654 53.28957       19.10285 30.73996 11.62639 31.89232 6.342685 -1.152361      13.24397 
1 1 1 -9  32 7  o 27.66473 6.103425 40.17996       16.08340 23.09000       46.66963 42.48318       17.13293 27.18874 11.09679 28.41013 6.323757 -1.221390      12.77218 
1 1 1 -9  32 8  o 31.97366 5.323015 52.63890       16.07384 90.16000       47.99946 47.89977       17.05877 39.81030 11.60722 30.29185 5.965659 9.518448       13.05054 
1 1 1 -9  32 9  o 64.99055 3.427139 209.6206       21.72453 218.3000       55.01700 208.0173       23.64608 63.82545 9.060681 64.65204 3.752678 -0.8265915     9.807066 
1 1 1 -9  32 10 o 17.60827 6.282980 13.81955       13.66882 73.53000       46.74616 8.236945       14.29352 36.23187 11.63113 15.99925 6.269988 20.23262       13.21348 
1 1 1 -9  32 11 o 55.15293 3.696644 151.5863       19.84117 98.14000       51.73873 160.8015       21.48369 41.15454 12.06533 56.75790 3.890548 -15.60336      12.67708 
1 1 1 -9  32 12 o 67.19726 3.527607 224.4572       23.12141 148.2000       54.41854 241.2560       25.54149 51.01599 11.20484 69.59992 3.763131 -18.58393      11.81988 
1 1 1 -9  32 13 o 75.51554 3.767821 283.9841       27.76252 223.6000       58.18627 301.7827       31.59025 64.04180 9.575746 77.70338 4.168690 -13.66158      10.44380 
1 1 1 -9  32 14 o 22.91040 6.456304 27.63241       15.09582 2.342000       46.49115 30.61309       15.96064 24.08469 10.49727 24.04972 6.587245 0.3496361E-01  12.39292 
1 1 1 -9  32 15 o 31.96206 5.381706 52.88512       16.23932 6.596000       48.40834 58.75493       17.23823 24.97528 10.79939 33.71988 5.405315 -8.744595      12.07660 
1 1 1 -9  32 16 o 47.89519 4.366350 115.6851       20.24510 0.000000       0.000000 115.6851       20.24510 ?        ?        47.89519 4.366350 ?              ?        
1 1 1 -9  32 17 o 84.30760 4.364587 357.0354       35.89509 235.5000       58.99339 428.4816       45.23156 65.32640 9.504440 91.99056 5.042621 -26.66416      10.75929 
1 1 1 -9  32 18 o 43.42780 6.598193 99.34590       27.16654 67.47000       46.67169 115.6802       33.40969 34.27478 11.64788 46.41584 7.617624 -12.14106      13.91766 
1 1 1 -9  32 19 o 36.60891 8.993204 75.45565       31.98953 -3.547000      44.54356 159.6000       45.97022 22.56715 10.03643 53.62530 9.081717 -31.05815      13.53541 
1 1 1 -9  32 20 o 58.02574 4.317884 170.1114       24.34859 170.3000       50.23967 170.0535       27.83622 54.82341 9.717868 57.72355 4.975143 -2.900135      10.91737 
1 1 1 -9  32 21 o 18.47705 7.252935 12.38948       19.15314 -27.86000      45.30228 21.14987       21.13496 20.07854 9.369572 21.25840 7.781506 -1.179861      12.17952 
1 1 1 -9  32 22 o 70.63811 3.437773 249.4786       23.69826 251.6000       57.84359 249.0507       25.97860 66.98948 9.052999 70.42129 3.782703 -3.431808      9.811504 
1 1 1 -9  32 23 o 57.94168 3.616728 168.5087       20.40995 60.61000       51.65988 188.4658       22.21745 32.33336 12.10464 61.24355 3.723787 -28.91019      12.66448 
1 1 1 -9  32 24 o 88.00872 7.111044 414.3000       60.73711 0.000000       0.000000 414.3000       60.73711 ?        ?        88.00872 7.111044 ?              ?        
1 1 1 -9  32 25 o 86.76406 5.443760 389.4862       45.99926 346.7000       68.78542 424.1000       61.86850 78.12946 9.168727 88.82176 7.177210 -10.69230      11.64379 
1 1 1 -9  32 26 o 55.77825 10.70579 187.5000       56.32581 187.5000       56.32581 0.000000       0.000000 55.77825 10.70579 ?        ?        ?              ?        
1 1 1 -9  32 27 o 25.63538 10.78290 23.79000       45.95251 23.79000       45.95251 0.000000       0.000000 25.63538 10.78290 ?        ?        ?              ?        
1 1 1 -9  32 28 o 30.65145 9.547970 55.61230       31.71504 76.04000       45.26865 35.92000       44.44634 34.62864 11.46821 27.19233 10.92608 7.436304       15.83980 
1 1 1 -9  32 29 o 26.37356 9.455247 38.58073       30.99403 7.021000       44.24852 68.98000       43.42738 22.98365 10.12251 33.09004 11.23587 -10.10639      15.12316 
1 1 1 -9  32 30 o 26.24785 10.59119 33.10000       41.95470 0.000000       0.000000 33.10000       41.95470 ?        ?        26.24785 10.59119 ?              ?        
1 1 1 -9  32 31 o 38.14467 8.731839 85.47762       31.89663 76.40000       48.79652 92.25000       42.14766 33.97321 11.89394 37.99253 10.81585 -4.019325      16.07633 
1 1 1 -9  32 32 o 29.63330 9.454132 52.93048       30.92080 28.88000       48.51787 69.38000       40.12513 26.14038 11.04211 32.96836 10.79125 -6.827988      15.43954 
1 1 1 -9  32 33 o 21.30267 8.785995 16.67277       29.64993 54.27000       47.60278 -7.159000      37.89942 29.66798 11.49454 19.66934 8.955269 9.998642       14.57125 
1 1 1 -9  32 34 o 42.47873 8.176299 104.8322       32.76283 89.67000       49.21434 116.9000       43.90598 35.85896 11.96000 42.66360 10.56886 -6.804642      15.96065 
1 1 1 -9  32 35 o 23.54884 9.146899 28.47525       30.20203 4.858000       46.23035 46.06000       39.89153 22.47168 10.09244 27.69513 10.57587 -5.223454      14.61869 
1 1 1 -9  32 36 o 19.83259 8.517439 8.868663       29.71785 2.544000       45.23825 13.67000       39.41560 22.05626 9.938049 22.41627 9.718720 -0.3600082     13.90030 
1 1 1 -9  32 37 o 21.56524 8.840883 19.01870       29.78744 42.71000       46.03959 1.961000       39.06584 27.32169 11.06949 20.77599 9.308339 6.545696       14.46301 
1 1 1 -9  32 38 o 24.82055 10.65437 25.11000       46.45745 25.11000       46.45745 0.000000       0.000000 24.82055 10.65437 ?        ?        ?              ?        
1 1 1 -9  32 39 o 14.91422 7.134641 -29.52222      29.49747 -37.36000      44.70758 -23.48000      39.25391 18.21966 8.733947 18.10471 8.534607 0.1149483      12.21152 
1 1 1 -9  32 40 o 17.52814 8.346586 -30.39000      39.40676 0.000000       0.000000 -30.39000      39.40676 ?        ?        17.52814 8.346586 ?              ?        
1 1 1 -9  32 41 o 22.37034 8.985359 23.85965       30.04784 14.15000       44.42104 32.05000       40.79791 22.96482 10.12710 24.99816 10.30777 -2.033340      14.45020 
1 1 1 -9  32 42 o 21.88172 8.935380 21.23488       30.27881 -22.64000      44.69539 58.45000       41.16371 19.26651 9.089815 29.63609 10.85788 -10.36958      14.16045 
1 1 1 -9  32 43 f 20.41403 8.650488 13.92901       29.93289 20.18000       44.39336 8.718000       40.53258 23.51693 10.25363 21.53435 9.575688 1.982588       14.02964 
1 1 1 -9  32 44 o 14.27684 6.892885 -33.27832      29.02660 -52.19000      42.28132 -16.42000      39.92001 16.38993 8.005165 18.60506 8.718774 -2.215128      11.83637 
1 1 1 -9  32 45 o 17.21859 7.863423 -5.662060      29.50792 -57.05000      42.89040 40.52000       40.65988 16.12240 7.913525 25.69737 10.40584 -9.574974      13.07307 
1 1 1 -9  32 46 o 16.88281 7.754591 -7.140796      29.25383 -34.26000      39.88614 24.43000       43.03544 16.87140 8.129167 23.30373 10.12893 -6.432331      12.98764 
1 1 1 -9  33 1  o 46.00113 4.366248 106.4819       19.42458 74.52000       50.18905 112.1130       21.06633 36.39519 12.07617 47.13479 4.625558 -10.73960      12.93173 
1 1 1 -9  33 2  o 67.52509 3.524379 226.6048       23.21390 223.4000       56.67010 227.2510       25.44684 64.29002 9.273171 67.51743 3.866621 -3.227417      10.04701 
1 1 1 -9  33 3  o 43.41602 6.279475 97.72773       25.91158 153.2000       51.48172 78.90739       29.98671 52.40057 10.40422 38.18602 8.263009 14.21454       13.28628 
1 1 1 -9  33 4  o 22.23413 8.293793 21.25004       24.20831 32.60000       47.01145 17.15434       28.24037 28.54448 11.31384 22.20754 8.779388 6.336946       14.32064 
1 1 1 -9  33 5  o 57.35861 3.814258 164.1781       21.29318 160.9000       53.54642 164.7938       23.20697 53.57354 10.58666 57.36222 4.161498 -3.788689      11.37521 
1 1 1 -9  33 6  o 54.05782 4.206396 146.5385       22.08236 114.0000       51.33191 153.9276       24.46150 44.33230 11.67144 55.29751 4.559786 -10.96521      12.53053 
1 1 1 -9  33 7  o 23.70020 6.816473 29.60729       16.65772 72.37000       46.28654 23.24482       17.85398 35.79156 11.58139 21.60758 7.203584 14.18398       13.63892 
1 1 1 -9  33 8  o 16.05667 6.274323 8.551991       14.27895 63.02000       45.94490 2.728638       15.02288 33.84308 11.55578 14.76184 6.184459 19.08124       13.10663 
1 1 1 -9  33 9  o 23.17103 6.299681 28.34166       14.66062 96.96000       46.77572 20.86668       15.43851 40.96349 11.29952 20.42373 6.694200 20.53976       13.13360 
1 1 1 -9  33 10 o 73.07533 3.391978 265.2760       24.19600 285.4000       58.62581 261.1443       26.56396 73.20079 8.330163 72.37965 3.762387 0.8211365      9.140414 
1 1 1 -9  33 11 o 47.00670 4.425198 111.4983       20.12145 101.7000       50.60090 113.3387       21.92984 41.56338 11.85703 47.27065 4.806320 -5.707272      12.79413 
1 1 1 -9  33 12 o 25.45095 6.621562 34.58727       16.65069 58.66000       45.93329 30.94547       17.86583 32.73988 11.53359 24.14618 7.092931 8.593691       13.54007 
1 1 1 -9  33 13 o 23.86898 6.273274 30.31051       14.84596 50.22000       45.29375 27.91411       15.71405 30.99016 11.38368 22.95792 6.625993 8.032236       13.17164 
1 1 1 -9  33 14 o 106.0622 5.039307 569.8627       52.16672 0.000000       0.000000 569.8627       52.16672 ?        ?        106.0622 5.039307 ?              ?        
1 1 1 -9  33 15 o 103.4196 3.768393 534.2068       38.08363 0.000000       0.000000 534.2068       38.08363 ?        ?        103.4196 3.768393 ?              ?        
1 1 1 -9  33 16 o 11.09616 5.227899 -14.95718      14.69264 -19.06000      42.25830 -14.39301      15.67030 20.28044 9.317017 11.67070 5.467052 8.609740       10.80257 
1 1 1 -9  33 17 o 26.12381 9.545647 34.37560       31.78312 66.18000       45.35221 3.680000       44.55464 33.62793 11.48104 23.32081 10.21778 10.30712       15.36936 
1 1 1 -9  33 18 o 107.1045 4.132238 577.1858       43.23983 565.4000       74.71391 583.1213       53.02163 102.8899 7.469473 106.9128 5.081149 -4.022858      9.033887 
1 1 1 -9  33 19 o 25.68630 7.003212 36.08018       18.08813 66.45000       45.60062 30.40948       19.70462 33.33040 11.50786 23.78166 7.542481 9.548735       13.75936 
1 1 1 -9  33 20 o 60.96359 4.264058 188.3165       25.28441 178.1000       52.27480 191.4366       28.88843 55.32438 10.02207 61.15791 4.865842 -5.833527      11.14084 
1 1 1 -9  33 21 o 34.30411 6.407076 63.28171       20.72262 92.82000       46.24194 55.85903       23.18055 38.59167 11.43093 31.67456 7.578321 6.917103       13.71485 
1 1 1 -9  33 22 o 35.86845 5.240828 67.22428       17.85687 93.32000       46.89906 62.79971       19.31146 38.49363 11.53868 34.33804 5.961717 4.155594       12.98781 
1 1 1 -9  33 23 f 86.46785 3.137111 373.0630       26.50760 294.5000       62.19320 390.5027       29.30239 72.01962 9.019638 88.32395 3.395690 -16.30434      9.637665 
1 1 1 -9  33 24 o 43.81434 8.033910 107.5882       33.18545 43.52000       48.07560 165.9000       45.86502 28.84730 11.43884 53.80066 9.028940 -24.95336      14.57288 
1 1 1 -9  33 25 o 56.60427 6.491603 171.2154       35.31720 163.7000       51.47453 177.9000       48.54613 52.07206 10.46253 55.45242 9.270959 -3.380363      13.97910 
1 1 1 -9  33 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  33 27 o 24.51961 9.406672 30.01247       31.65591 20.71000       45.28773 38.90000       44.26618 24.88154 10.59562 27.47486 10.94967 -2.593319      15.23687 
1 1 1 -9  33 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  33 29 o 49.19013 7.787227 136.2125       36.24739 28.13000       55.05693 218.9000       48.15640 26.82462 11.55762 62.21515 8.099846 -35.39053      14.11333 
1 1 1 -9  33 30 o 23.25570 9.159103 25.40587       30.63181 15.80000       47.42884 32.28000       40.12202 24.30535 10.59787 25.69324 10.36088 -1.387890      14.82102 
1 1 1 -9  33 31 o 24.74760 9.261457 33.25037       30.23629 65.12000       47.83214 12.04000       39.02163 31.53831 11.67837 22.30155 9.669500 9.236755       15.16191 
1 1 1 -9  33 32 o 15.69231 7.382296 -21.22029      29.10254 -54.15000      46.33483 0.2343000      37.40017 17.55836 8.531810 20.32402 9.106646 -2.765659      12.47889 
1 1 1 -9  33 33 o 16.83637 7.711508 -9.938405      28.65491 -34.47000      44.62622 7.272000       37.37858 18.51247 8.833916 21.17046 9.314507 -2.657988      12.83737 
1 1 1 -9  33 34 o 36.08296 8.930643 79.25860       31.37049 65.88000       46.90038 90.09000       42.20009 31.25550 11.56581 36.68283 10.93348 -5.427330      15.91568 
1 1 1 -9  33 35 f 39.37698 8.522964 92.23542       31.89567 139.3000       49.46077 58.73000       41.73220 45.86213 11.13173 30.07102 10.94574 15.79110       15.61168 
1 1 1 -9  33 36 o 16.67801 7.704602 -12.64372      29.46961 57.88000       45.30216 -64.38000      38.80154 29.69674 11.28702 14.99842 7.394009 14.69831       13.49327 
1 1 1 -9  33 37 o 26.40167 11.00436 37.09000       47.20169 37.09000       47.20169 0.000000       0.000000 26.40167 11.00436 ?        ?        ?              ?        
1 1 1 -9  33 38 o 20.41606 8.653806 12.89887       29.97014 44.82000       44.83304 -12.89000      40.29723 27.39878 10.98574 19.30505 8.950089 8.093729       14.17006 
1 1 1 -9  33 39 o 25.83368 10.52234 36.43000       41.85994 0.000000       0.000000 36.43000       41.85994 ?        ?        25.83368 10.52234 ?              ?        
1 1 1 -9  33 40 o 33.93794 9.358157 73.03533       32.09000 107.3000       47.46136 44.18000       43.55420 38.84289 11.59929 27.04063 10.83278 11.80227       15.87112 
1 1 1 -9  33 41 o 20.54452 8.680607 14.26128       29.99739 9.289000       44.27661 18.48000       40.78374 22.28317 9.951934 22.91882 9.911333 -0.6356449     14.04548 
1 1 1 -9  33 42 o 15.96337 7.468343 -16.42363      29.08633 -21.44000      42.99356 -12.19000      39.49709 18.84852 8.899429 18.96700 8.816450 -0.1184788     12.52716 
1 1 1 -9  33 43 o 17.92315 8.041734 -0.3077292     29.27252 -8.157000      42.16803 6.993000       40.66790 19.76194 9.159683 21.11553 9.475999 -1.353588      13.17932 
1 1 1 -9  33 44 o 29.63748 9.452835 58.45321       30.91403 39.87000       44.12997 76.36000       43.31938 25.59336 10.65169 31.99022 11.20606 -6.396858      15.46073 
1 1 1 -9  34 1  o 21.76167 6.939422 24.31614       16.66080 -17.32000      47.93650 30.03673       17.76853 22.10809 10.06791 23.84074 7.091850 -1.732651      12.31491 
1 1 1 -9  34 2  o 33.07322 5.561374 56.82667       17.36558 48.04000       49.19842 58.07718       18.56021 31.10549 11.77625 33.32862 5.905459 -2.223127      13.17401 
1 1 1 -9  34 3  o 51.71966 4.126357 134.3653       20.71643 73.49000       52.11377 145.7906       22.57695 35.81763 12.30486 53.82082 4.321872 -18.00319      13.04179 
1 1 1 -9  34 4  o 41.29040 6.699011 89.80432       26.14781 76.26000       49.86209 94.94177       30.70901 36.28588 12.03666 42.00771 7.754038 -5.721832      14.31804 
1 1 1 -9  34 5  o 25.73536 8.502869 34.64354       24.88938 95.39000       48.45760 12.87445       29.00825 40.21051 11.64468 21.39230 8.741950 18.81821       14.56092 
1 1 1 -9  34 6  o 54.39240 3.930055 148.3029       20.78283 140.0000       52.09654 149.8743       22.66438 49.09905 11.10139 54.56322 4.277811 -5.464169      11.89709 
1 1 1 -9  34 7  o 51.04797 4.357278 131.4899       21.56413 136.8000       52.24721 130.3995       23.67467 48.35219 11.25142 50.66122 4.832706 -2.309029      12.24539 
1 1 1 -9  34 8  o 83.41308 3.741924 347.3616       30.47392 285.7000       61.53582 367.3975       35.07723 72.43136 8.864016 85.57232 4.200636 -13.14096      9.808981 
1 1 1 -9  34 9  o 30.15345 5.683686 47.73411       16.16029 29.38000       46.83795 50.21428       17.21757 27.52369 11.16005 30.86814 5.913650 -3.344452      12.63004 
1 1 1 -9  34 10 o 14.29385 6.109116 0.8601938      15.15270 -47.56000      44.42096 7.236300       16.11953 18.38192 8.783131 16.25823 6.563293 2.123697       10.96450 
1 1 1 -9  34 11 o 32.28868 5.463046 54.42590       16.65083 10.29000       45.66909 61.19243       17.88171 24.49252 10.53925 34.25861 5.520077 -9.766094      11.89736 
1 1 1 -9  34 12 o 75.42599 3.495102 283.9456       25.73385 208.1000       55.75775 304.4743       29.00815 60.72937 9.706621 77.96810 3.812551 -17.23873      10.42852 
1 1 1 -9  34 13 o 41.64759 4.855093 88.92951       19.42143 0.000000       0.000000 88.92951       19.42143 ?        ?        41.64759 4.855093 ?              ?        
1 1 1 -9  34 14 o 44.56484 4.407187 101.0163       18.97326 72.96000       48.48566 106.0894       20.61737 34.79586 11.87123 45.56890 4.689159 -10.77304      12.76379 
1 1 1 -9  34 15 o 41.74695 8.650579 98.19409       34.18616 98.66000       49.52388 97.77000       47.24934 39.77137 11.84192 39.81898 11.48876 -0.4761124E-01 16.49918 
1 1 1 -9  34 16 o 44.09877 4.591475 99.49203       19.52925 99.98000       49.13334 99.40047       21.28267 39.93773 11.77082 43.88466 5.046323 -3.946926      12.80694 
1 1 1 -9  34 17 o 56.24916 3.963129 159.7497       21.68062 96.99000       49.81462 174.4158       24.08098 39.15339 11.92570 58.66677 4.221722 -19.51338      12.65090 
1 1 1 -9  34 18 o 65.98017 4.707567 222.3643       30.20325 219.5000       53.95390 223.6715       36.44963 62.17946 9.137130 65.51826 5.741586 -3.338806      10.79134 
1 1 1 -9  34 19 o 70.87920 4.466920 255.6529       30.83322 175.6000       53.97978 294.4203       37.56432 54.17792 10.55855 75.64921 5.102858 -21.47129      11.72698 
1 1 1 -9  34 20 f 43.23899 5.309254 97.51295       21.99952 95.72000       46.90918 98.01849       24.90865 38.81857 11.51689 42.94723 6.096368 -4.128654      13.03090 
1 1 1 -9  34 21 o 25.23380 7.537290 35.37309       20.03848 60.27000       44.25147 28.95090       22.47484 31.59678 11.30140 23.37774 8.078657 8.219042       13.89195 
1 1 1 -9  34 22 o 36.92232 5.070568 71.16386       17.84184 79.60000       43.44262 69.45219       19.56833 35.49565 11.19183 36.17411 5.716172 -0.6784554     12.56709 
1 1 1 -9  34 23 o 30.29021 9.354644 54.15226       30.51787 48.12000       43.51682 59.99000       42.80944 29.13995 11.06543 31.37476 11.12700 -2.234814      15.69247 
1 1 1 -9  34 24 o 26.12948 10.67432 30.88000       43.23257 30.88000       43.23257 0.000000       0.000000 26.12948 10.67432 ?        ?        ?              ?        
1 1 1 -9  34 25 o 24.16435 10.41647 16.54000       44.76344 16.54000       44.76344 0.000000       0.000000 24.16435 10.41647 ?        ?        ?              ?        
1 1 1 -9  34 26 o 58.39201 6.454062 183.4572       36.27374 100.3000       52.20171 261.1000       50.44118 38.36837 12.28853 68.56936 7.645245 -30.20098      14.47266 
1 1 1 -9  34 27 o 23.73787 10.03708 19.86000       40.15221 0.000000       0.000000 19.86000       40.15221 ?        ?        23.73787 10.03708 ?              ?        
1 1 1 -9  34 28 o 36.66164 10.85414 86.92000       41.70098 0.000000       0.000000 86.92000       41.70098 ?        ?        36.66164 10.85414 ?              ?        
1 1 1 -9  34 29 o 33.49714 11.14003 74.13000       42.70358 0.000000       0.000000 74.13000       42.70358 ?        ?        33.49714 11.14003 ?              ?        
1 1 1 -9  34 30 o 33.57643 11.42242 76.64000       44.88383 76.64000       44.88383 0.000000       0.000000 33.57643 11.42242 ?        ?        ?              ?        
1 1 1 -9  34 31 o 31.97808 9.298213 63.42788       30.83952 -8.861000      45.25583 126.1000       42.13820 20.85453 9.602984 44.96970 9.846532 -24.11517      13.75396 
1 1 1 -9  34 32 f 33.38195 9.296112 69.42719       31.49395 29.06000       46.85321 102.7000       42.53729 25.37894 10.79124 39.39307 10.73922 -14.01413      15.22438 
1 1 1 -9  34 33 o 29.47683 9.410865 54.01060       30.63417 40.68000       46.63375 64.13000       40.63055 27.04567 11.07183 31.15543 10.85688 -4.109766      15.50668 
1 1 1 -9  34 34 o 23.43588 9.078526 28.92781       29.69117 53.79000       45.91537 11.06000       38.92459 28.93764 11.26737 21.80738 9.552661 7.130253       14.77183 
1 1 1 -9  34 35 o 22.21930 8.973237 22.68235       30.14366 57.97000       46.28828 -3.302000      39.72058 29.62212 11.37211 20.19627 9.184546 9.425848       14.61782 
1 1 1 -9  34 36 o 39.03360 11.83663 108.8000       49.14716 108.8000       49.14716 0.000000       0.000000 39.03360 11.83663 ?        ?        ?              ?        
1 1 1 -9  34 37 o 17.57690 7.965749 -5.186421      29.56280 -47.78000      43.71796 30.70000       40.12850 17.19266 8.338558 24.73993 10.21421 -7.547276      13.18566 
1 1 1 -9  34 38 o 37.26133 11.31423 97.54000       44.88425 0.000000       0.000000 97.54000       44.88425 ?        ?        37.26133 11.31423 ?              ?        
1 1 1 -9  34 39 o 18.44715 8.204727 1.357178       29.77401 -14.43000      43.40289 15.39000       40.92031 19.64651 9.168987 22.47973 9.822056 -2.833218      13.43663 
1 1 1 -9  34 40 o 22.47305 8.998893 25.26468       30.04180 -16.72000      43.67436 62.97000       41.38876 19.42786 9.109220 30.22933 10.91509 -10.80146      14.21678 
1 1 1 -9  34 41 o 17.94823 8.065856 -0.9469892     29.57893 70.63000       43.98681 -60.03000      39.96383 31.29298 11.25851 15.34326 7.552385 15.94972       13.55701 
1 1 1 -9  34 42 o 22.51876 8.978196 27.03101       29.77320 15.17000       42.61638 38.34000       41.61287 22.26218 9.863411 25.37156 10.43062 -3.109375      14.35565 
1 1 1 -9  34 43 o 17.51050 7.898295 -1.236506      28.66212 -16.01000      40.04617 14.28000       41.04085 18.42274 8.664609 21.80829 9.669949 -3.385551      12.98396 
1 1 1 -9  35 1  o 27.09671 6.708240 39.66291       17.69663 55.18000       48.15654 37.24028       19.02800 31.73375 11.72384 26.18301 7.200770 5.550737       13.75862 
1 1 1 -9  35 2  o 42.69706 4.592141 92.88498       18.89063 94.56000       49.02354 92.59290       20.47153 39.43714 11.79146 42.46854 5.021696 -3.031403      12.81623 
1 1 1 -9  35 3  o 20.56995 6.923972 21.29252       16.49042 52.52000       46.46619 16.79277       17.63855 31.11258 11.51229 19.35631 7.104925 11.75627       13.52822 
1 1 1 -9  35 4  o 52.24318 4.028742 137.5043       20.44277 175.1000       51.95613 130.6179       22.23634 55.41212 9.944530 50.72144 4.526351 4.690685       10.92619 
1 1 1 -9  35 5  o 27.90525 8.542800 43.03151       25.51946 15.94000       46.04534 55.04239       30.65889 25.20285 10.70638 31.15269 9.327329 -5.949844      14.19949 
1 1 1 -9  35 6  o 24.25293 8.600003 29.75878       25.57215 26.37000       46.77034 31.20384       30.54160 26.76533 11.03648 25.23845 9.334357 1.526873       14.45455 
1 1 1 -9  35 7  o 47.28921 4.268699 113.3136       19.54643 89.86000       49.79723 117.5853       21.25205 38.20374 11.97372 48.06028 4.572639 -9.856541      12.81714 
1 1 1 -9  35 8  o 15.53810 6.521595 3.657747       16.75244 41.87000       47.37222 -1.804000      17.90969 29.14966 11.41721 14.82588 6.487447 14.32378       13.13163 
1 1 1 -9  35 9  o 42.62189 5.460725 94.40958       22.25917 68.39000       49.51395 101.0000       24.91921 33.83567 11.96979 43.87218 5.956528 -10.03651      13.36997 
1 1 1 -9  35 10 o 10.50954 4.980201 -15.19193      13.69622 30.02000       46.24497 -19.53898      14.33954 27.00234 11.03650 10.24968 4.922030 16.75267       12.08431 
1 1 1 -9  35 11 o 38.16787 5.343258 75.95193       19.41614 0.000000       0.000000 75.95193       19.41614 ?        ?        38.16787 5.343258 ?              ?        
1 1 1 -9  35 12 o 39.20844 5.318266 80.09332       19.88487 0.000000       0.000000 80.09332       19.88487 ?        ?        39.20844 5.318266 ?              ?        
1 1 1 -9  35 13 o 20.82850 8.402786 15.21287       26.40236 26.54000       45.64500 9.517499       32.36641 26.23425 10.86827 21.17113 8.984289 5.063124       14.10095 
1 1 1 -9  35 14 o 49.73103 4.284321 125.8097       20.65215 95.71000       49.64626 132.1082       22.71036 38.76168 11.92449 50.81701 4.616031 -12.05532      12.78676 
1 1 1 -9  35 15 o 44.80748 4.641574 103.0396       20.06291 85.57000       49.43032 106.4851       21.95246 36.63620 11.97646 45.38044 5.026227 -8.744244      12.98840 
1 1 1 -9  35 16 o 45.45853 4.703454 106.2602       20.62656 52.67000       48.16037 118.2986       22.82603 30.42514 11.61989 47.87064 4.942389 -17.44550      12.62731 
1 1 1 -9  35 17 o 25.26991 6.905225 35.25358       17.56250 45.77000       44.34083 33.29679       19.12676 28.90660 11.12183 24.54818 7.371137 4.358416       13.34275 
1 1 1 -9  35 18 o 86.27330 4.164154 377.2710       35.06106 361.5000       61.75399 384.7728       42.59126 80.95730 7.893087 86.42957 5.056535 -5.472275      9.373867 
1 1 1 -9  35 19 o 40.89338 6.613849 90.56995       25.57034 122.8000       45.41245 75.60785       30.94147 44.72955 10.54537 35.98192 8.847939 8.747623       13.76557 
1 1 1 -9  35 20 o 34.49828 6.640717 65.01602       21.61057 78.86000       42.31140 60.12999       25.13650 35.33923 11.03136 32.46635 7.969733 2.872871       13.60910 
1 1 1 -9  35 21 o 31.32064 7.152658 54.75451       21.44542 62.00000       41.39759 52.09691       25.07183 31.68151 10.96346 30.04046 8.267194 1.641048       13.73113 
1 1 1 -9  35 22 o 18.38287 6.705999 15.94318       15.67648 11.20000       40.72252 16.76838       16.98548 22.78611 9.878800 18.90831 6.966768 3.877796       12.08828 
1 1 1 -9  35 23 o 29.80481 11.17198 53.57000       44.03442 53.57000       44.03442 0.000000       0.000000 29.80481 11.17198 ?        ?        ?              ?        
1 1 1 -9  35 24 o 28.03006 9.443592 46.46924       30.67556 79.73000       46.46342 20.77000       40.84183 34.69623 11.62184 24.00851 10.13577 10.68772       15.42080 
1 1 1 -9  35 25 o 39.50772 10.77465 100.3000       42.80873 0.000000       0.000000 100.3000       42.80873 ?        ?        39.50772 10.77465 ?              ?        
1 1 1 -9  35 26 o 32.46356 10.90500 68.12000       40.90572 0.000000       0.000000 68.12000       40.90572 ?        ?        32.46356 10.90500 ?              ?        
1 1 1 -9  35 27 o 29.13291 9.465935 51.95649       30.90295 30.60000       48.07959 66.99000       40.33909 25.99662 10.98729 32.06355 10.82940 -6.066929      15.42714 
1 1 1 -9  35 28 o 20.16026 8.594503 10.80518       29.85415 11.87000       46.71383 10.07000       38.81522 23.30875 10.32692 21.79614 9.543706 1.512608       14.06156 
1 1 1 -9  35 29 o 28.38634 9.390720 49.61819       30.35557 90.36000       46.38981 19.11000       40.14308 36.05093 11.58803 23.21845 9.933954 12.83249       15.26322 
1 1 1 -9  35 30 o 25.66757 10.31741 35.82000       39.64851 0.000000       0.000000 35.82000       39.64851 ?        ?        25.66757 10.31741 ?              ?        
1 1 1 -9  35 31 f 44.18560 10.47173 126.3000       44.59373 0.000000       0.000000 126.3000       44.59373 ?        ?        44.18560 10.47173 ?              ?        
1 1 1 -9  35 32 o 24.58705 10.59162 24.59000       46.22184 24.59000       46.22184 0.000000       0.000000 24.58705 10.59162 ?        ?        ?              ?        
1 1 1 -9  35 33 o 38.67512 8.742566 90.76149       32.31575 105.9000       50.28456 80.11000       42.17920 38.23801 12.03886 34.16036 11.05577 4.077644       16.34516 
1 1 1 -9  35 34 o 34.44690 11.85407 85.90000       48.37164 85.90000       48.37164 0.000000       0.000000 34.44690 11.85407 ?        ?        ?              ?        
1 1 1 -9  35 35 o 24.62224 9.257222 34.71914       30.28248 66.68000       44.61454 7.415000       41.23646 31.06125 11.31574 21.62664 9.635021 9.434618       14.86202 
1 1 1 -9  35 36 o 25.90101 10.47719 37.94000       41.17002 0.000000       0.000000 37.94000       41.17002 ?        ?        25.90101 10.47719 ?              ?        
1 1 1 -9  35 37 o 17.13500 7.843271 -7.970210      29.57942 -79.72000      42.67753 58.36000       41.03408 15.00783 7.461011 29.41781 10.83024 -14.40997      13.15145 
1 1 1 -9  35 38 o 15.35799 7.265808 -21.99634      28.92532 -36.73000      42.50695 -9.290000      39.47433 17.58380 8.451842 19.31207 8.919872 -1.728268      12.28812 
1 1 1 -9  35 39 o 24.22142 9.220744 34.20540       30.26381 57.40000       44.75263 14.66000       41.08161 28.85496 11.15445 22.19552 9.765273 6.659443       14.82505 
1 1 1 -9  35 40 o 26.21297 9.377958 43.68145       30.47238 -0.1571000     42.96316 88.06000       43.22696 20.65144 9.452758 34.72869 11.18816 -14.07726      14.64683 
1 1 1 -9  35 41 o 15.59885 7.344819 -17.64634      28.92113 -29.83000      41.36518 -5.995000      40.45143 17.53524 8.404604 19.44669 8.998801 -1.911444      12.31324 
1 1 1 -9  35 42 o 18.94231 8.271193 8.741670       28.97819 -16.32000      40.44435 35.18000       41.54033 18.36234 8.658197 24.51336 10.27784 -6.151024      13.43869 
1 1 1 -9  36 1  o 43.10817 4.798965 95.57737       19.90657 54.20000       50.10166 103.3339       21.69231 31.05623 11.85400 44.73252 5.041963 -13.67630      12.88172 
1 1 1 -9  36 2  o 49.36436 4.271414 123.8519       20.43625 128.6000       52.00216 122.9847       22.22435 45.38807 11.64776 49.00582 4.690308 -3.617756      12.55665 
1 1 1 -9  36 3  o 45.26427 4.551506 104.8007       19.89241 76.67000       49.91773 110.1113       21.68898 35.05893 12.04286 46.26983 4.861420 -11.21090      12.98707 
1 1 1 -9  36 4  o 26.63024 6.640546 38.73280       17.24954 46.32000       46.44267 37.51865       18.57852 29.45604 11.36945 26.10586 7.089183 3.350180       13.39854 
1 1 1 -9  36 5  o 25.06460 6.704764 34.33101       16.77009 50.65000       46.16440 31.85009       17.99975 30.16377 11.41016 24.14837 7.126357 6.015400       13.45276 
1 1 1 -9  36 6  o 37.76080 7.442286 78.59843       26.52918 49.85000       48.72038 90.71492       31.62948 30.16516 11.64444 40.10695 8.329511 -9.941790      14.31690 
1 1 1 -9  36 7  o 19.03312 8.465533 -3.445693      31.69875 15.44000       45.24634 -21.65000      44.42261 24.57972 10.53209 20.22811 9.384600 4.351610       14.10658 
1 1 1 -9  36 8  o 33.91198 5.911360 61.19445       18.90920 73.21000       48.14862 59.00330       20.56117 34.31474 11.82599 32.97962 6.599909 1.335121       13.54300 
1 1 1 -9  36 9  o 68.23499 3.954965 235.0670       26.30212 194.9000       55.82451 246.5278       29.81934 57.35355 10.32352 69.63482 4.397328 -12.28127      11.22103 
1 1 1 -9  36 10 o 38.66187 5.926132 79.27943       21.71255 0.000000       0.000000 79.27943       21.71255 ?        ?        38.66187 5.926132 ?              ?        
1 1 1 -9  36 11 o 56.23978 6.782358 169.8672       36.58328 0.000000       0.000000 169.8672       36.58328 ?        ?        56.23978 6.782358 ?              ?        
1 1 1 -9  36 12 o 40.11285 4.999713 83.56296       19.20569 62.77000       49.62119 87.22668       20.82910 32.12130 11.89467 40.83498 5.338868 -8.713680      13.03789 
1 1 1 -9  36 13 o 33.02159 5.934808 58.38723       18.47766 88.74000       47.77145 53.04729       20.03722 37.09573 11.74135 31.06119 6.781076 6.034546       13.55885 
1 1 1 -9  36 14 o 40.50011 5.041423 85.34582       19.55407 94.62000       48.01287 83.50166       21.41014 38.24848 11.71933 39.75627 5.661651 -1.507790      13.01526 
1 1 1 -9  36 15 f 38.86441 5.350757 79.31867       19.81547 -11.72000      47.01745 98.98139       21.85083 21.52946 9.867395 43.53973 5.231837 -22.01027      11.16860 
1 1 1 -9  36 16 o 22.14314 7.213396 26.39612       17.93919 8.923000       44.35564 29.81316       19.61501 23.25269 10.19124 23.34867 7.537900 -0.9598160E-01 12.67601 
1 1 1 -9  36 17 o 57.19968 3.879026 165.7425       21.58966 135.4000       48.34697 173.3003       24.12912 46.67635 10.79685 58.29504 4.258035 -11.61869      11.60616 
1 1 1 -9  36 18 o 26.56427 6.643025 39.06647       17.22663 59.75000       41.43864 34.74518       18.94087 31.14189 10.95610 24.92685 7.298023 6.215036       13.16424 
1 1 1 -9  36 19 o 22.80310 8.204235 27.16211       23.35824 11.12000       39.83279 35.56972       28.83675 22.57391 9.778598 25.41043 9.119015 -2.836512      13.37077 
1 1 1 -9  36 20 o 42.25772 5.807581 95.21359       23.38722 65.10000       43.80541 107.2191       27.65903 31.95192 11.26266 44.40339 6.561103 -12.45147      13.03440 
1 1 1 -9  36 21 o 21.49698 7.829755 23.48654       21.35865 22.17000       42.43963 23.93310       24.71699 24.43054 10.32395 22.08584 8.350259 2.344696       13.27821 
1 1 1 -9  36 22 o 56.38390 3.878408 161.6913       21.27459 150.6000       50.22981 164.1160       23.48513 48.70569 10.81750 56.58199 4.271974 -7.876293      11.63048 
1 1 1 -9  36 23 o 42.41056 8.105586 103.5238       32.42218 79.19000       48.42163 123.3000       43.65216 34.20642 11.85612 44.44684 10.24386 -10.24042      15.66857 
1 1 1 -9  36 24 o 37.43571 10.86099 91.97000       42.11946 0.000000       0.000000 91.97000       42.11946 ?        ?        37.43571 10.86099 ?              ?        
1 1 1 -9  36 25 o 27.64883 9.428546 46.32921       30.58459 22.77000       46.72524 63.99000       40.45538 24.69490 10.64370 31.28228 10.83733 -6.587381      15.19000 
1 1 1 -9  36 26 o 23.96837 9.208184 30.74682       30.36343 6.838000       47.35383 47.44000       39.56813 22.77654 10.22305 27.83086 10.55537 -5.054321      14.69444 
1 1 1 -9  36 27 o 35.98464 8.945944 79.27467       31.37527 31.29000       47.18733 117.3000       42.00594 25.66489 10.86775 42.80501 10.17576 -17.14013      14.88805 
1 1 1 -9  36 28 o 22.56178 8.965476 24.79547       29.59276 55.78000       45.82218 2.626000       38.75975 29.25247 11.29261 20.69606 9.272220 8.556408       14.61154 
1 1 1 -9  36 29 o 36.64185 8.862843 81.92986       31.43720 81.48000       47.51918 82.28000       41.92271 33.92231 11.74576 34.77723 10.99808 -0.8549156     16.09101 
1 1 1 -9  36 30 o 44.42545 7.815835 114.5871       32.74663 87.77000       49.08237 136.1000       43.96117 34.78965 11.94197 46.26424 9.999786 -11.47458      15.57583 
1 1 1 -9  36 31 o 20.75533 8.701325 15.38142       29.76944 26.10000       45.19984 7.170000       39.56191 24.58445 10.53024 21.33259 9.474628 3.251863       14.16526 
1 1 1 -9  36 32 o 24.45526 10.15746 29.47000       40.01410 0.000000       0.000000 29.47000       40.01410 ?        ?        24.45526 10.15746 ?              ?        
1 1 1 -9  36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -9  36 34 o 21.94976 9.787763 8.687000       42.65338 8.687000       42.65338 0.000000       0.000000 21.94976 9.787763 ?        ?        ?              ?        
1 1 1 -9  36 35 o 21.73943 9.646769 10.11000       40.92171 0.000000       0.000000 10.11000       40.92171 ?        ?        21.73943 9.646769 ?              ?        
1 1 1 -9  36 36 o 17.52657 7.941291 -4.241306      29.36312 -49.77000      42.64571 36.80000       40.48958 16.68387 8.124578 25.46930 10.35808 -8.785423      13.16429 
1 1 1 -9  36 37 o 17.61472 7.974438 -3.417731      29.53322 10.72000       43.40043 -15.61000      40.30384 22.05429 9.851117 18.74897 8.777956 3.305315       13.19458 
1 1 1 -9  36 38 o 23.11575 9.071120 29.59854       29.95190 0.9173000      43.51984 55.41000       41.28522 20.87057 9.538213 28.38666 10.77830 -7.516087      14.39268 
1 1 1 -9  36 39 o 21.16157 8.781575 20.25065       29.87029 10.25000       43.17752 29.43000       41.36657 21.65831 9.738144 23.89257 10.14874 -2.234262      14.06515 
1 1 1 -9  36 40 o 27.13062 9.339458 48.75531       30.02691 30.48000       42.35544 67.22000       42.57433 23.94363 10.22306 30.01812 11.03497 -6.074493      15.04266 
1 1 1 -9  37 1  o 15.24512 6.442923 3.266908       16.53140 1.284000       45.07585 3.575063       17.76957 22.60542 10.07218 15.77199 6.673402 6.833429       12.08234 
1 1 1 -9  37 2  o 51.35004 4.219985 134.2605       21.02385 173.3000       52.11123 126.6709       22.97675 53.84319 10.26220 49.59185 4.793054 4.251343       11.32635 
1 1 1 -9  37 3  o 18.99184 6.946573 16.87914       16.83799 -19.47000      45.22229 22.72950       18.14249 20.46726 9.486255 21.02914 7.258770 -0.5618801     11.94482 
1 1 1 -9  37 4  o 29.31001 6.258011 46.66606       17.40759 19.34000       45.80146 51.27977       18.81985 24.95294 10.64172 30.66335 6.473842 -5.710405      12.45620 
1 1 1 -9  37 5  o 53.56712 4.134738 145.9050       21.51198 104.6000       51.50371 154.6336       23.67610 39.87482 12.12232 55.00181 4.435296 -15.12698      12.90823 
1 1 1 -9  37 6  f 23.69545 7.335654 30.86075       18.75303 70.91000       46.29094 22.99755       20.51155 33.51692 11.59359 21.41182 7.690012 12.10510       13.91214 
1 1 1 -9  37 7  o 46.60576 6.364089 116.3307       28.27473 94.44000       50.18064 126.5137       34.22493 37.94514 12.03668 47.83136 7.561127 -9.886219      14.21451 
1 1 1 -9  37 8  o 44.47453 4.702601 102.0114       20.16210 63.15000       49.64480 109.6872       22.06361 32.01314 11.88950 45.99448 4.980128 -13.98134      12.89038 
1 1 1 -9  37 9  o 20.75262 9.364649 -5.365000      40.34188 0.000000       0.000000 -5.365000      40.34188 ?        ?        20.75262 9.364649 ?              ?        
1 1 1 -9  37 10 o 17.02776 6.781524 10.03470       16.96814 5.954000       43.80265 10.75517       18.40519 22.77766 10.04997 17.63207 7.049300 5.145592       12.27577 
1 1 1 -9  37 11 o 39.68732 4.821364 81.76021       18.34583 110.4000       47.12127 76.64339       19.91736 41.51398 11.29715 38.08941 5.501433 3.424568       12.56548 
1 1 1 -9  37 12 o 39.75008 5.052782 82.47354       19.21594 -18.79000      45.35989 104.6216       21.21354 20.42757 9.479189 44.90695 4.905771 -24.47938      10.67341 
1 1 1 -9  37 13 o 31.73952 6.112375 54.55143       18.30075 64.58000       43.24752 52.36393       20.19831 32.09989 11.20009 30.71573 6.888391 1.384165       13.14884 
1 1 1 -9  37 14 o 66.94702 3.692835 226.3190       24.10526 153.1000       50.58090 247.8350       27.41921 49.65548 10.72105 69.86503 4.026545 -20.20955      11.45225 
1 1 1 -9  37 15 o 29.72966 6.328538 48.42765       17.85066 42.96000       42.12998 49.62402       19.70705 27.84610 10.80675 29.84209 6.886478 -1.995989      12.81442 
1 1 1 -9  37 16 o 19.46437 7.110109 18.38638       17.63149 53.17000       42.44032 11.13074       19.38337 29.61320 10.99397 17.90798 7.208484 11.70522       13.14647 
1 1 1 -9  37 17 o 40.24133 4.995516 84.74097       19.25468 107.9000       46.27369 79.89151       21.17488 40.64652 11.24904 38.65174 5.773590 1.994774       12.64417 
1 1 1 -9  37 18 f 48.13539 4.416889 119.3199       20.57894 77.47000       48.14507 128.6751       22.76317 33.98141 11.81972 49.82645 4.723724 -15.84504      12.72869 
1 1 1 -9  37 19 o 32.32278 7.829726 60.44190       24.50737 16.15000       47.15718 76.83076       28.68534 24.15142 10.54842 36.25025 8.268004 -12.09883      13.40258 
1 1 1 -9  37 20 o 25.22193 8.797720 36.19126       26.68339 9.077000       46.58603 49.43000       32.55218 23.21642 10.29799 28.55591 9.727314 -5.339487      14.16577 
1 1 1 -9  37 21 o 25.09983 6.764615 35.49052       16.99294 -8.193000      43.70454 43.27061       18.44419 20.72387 9.503844 27.68441 6.845368 -6.960548      11.71248 
1 1 1 -9  37 22 o 37.84113 4.449050 74.43227       16.16477 52.70000       45.59204 77.55698       17.28786 29.04915 11.25069 38.51947 4.681147 -9.470318      12.18570 
1 1 1 -9  37 23 o 21.88510 9.596543 10.56000       39.37315 0.000000       0.000000 10.56000       39.37315 ?        ?        21.88510 9.596543 ?              ?        
1 1 1 -9  37 24 o 15.34486 7.226704 -20.64598      28.02402 -18.93000      41.07755 -22.14000      38.32896 18.94339 8.866658 18.01236 8.473220 0.9310284      12.26430 
1 1 1 -9  37 25 o 29.50012 9.378922 54.64531       30.45235 85.16000       46.94690 32.48000       40.01191 34.60901 11.68275 25.06355 10.25748 9.545454       15.54679 
1 1 1 -9  37 26 o 44.21804 7.883601 113.7641       32.87014 62.33000       49.11166 155.5000       44.23990 30.25894 11.68831 50.34034 9.321460 -20.08140      14.95013 
1 1 1 -9  37 27 o 35.96719 8.900335 79.39271       31.16221 89.35000       47.53804 71.89000       41.26480 35.37079 11.75343 32.51399 10.95294 2.856804       16.06580 
1 1 1 -9  37 28 o 32.74162 9.167814 67.35954       30.54086 76.26000       46.48563 60.60000       40.51081 32.72375 11.59593 30.06647 10.80610 2.657282       15.85047 
1 1 1 -9  37 29 o 34.98225 9.046474 76.21848       31.20527 37.81000       46.57676 107.5000       42.03389 26.26127 10.93740 40.19808 10.55138 -13.93681      15.19731 
1 1 1 -9  37 30 o 26.51645 9.419568 43.32930       30.69056 -1.357000      45.55751 80.46000       41.52784 21.32051 9.749567 34.05804 10.96552 -12.73752      14.67299 
1 1 1 -9  37 31 o 20.13532 8.635981 11.40069       30.47516 35.87000       43.54021 -12.10000      42.66974 25.66491 10.62195 19.72657 9.167541 5.938343       14.03102 
1 1 1 -9  37 32 o 22.27558 9.059408 23.31082       30.97383 41.95000       42.67858 2.568000       45.02258 26.53368 10.69079 21.60328 9.806283 4.930395       14.50710 
1 1 1 -9  37 33 o 22.55658 9.011110 25.82207       30.05131 -7.295000      44.02695 54.71000       41.11979 20.33918 9.403446 28.59373 10.77926 -8.254557      14.30445 
1 1 1 -9  37 34 o 17.36713 8.274130 -27.97000      38.82655 0.000000       0.000000 -27.97000      38.82655 ?        ?        17.36713 8.274130 ?              ?        
1 1 1 -9  37 35 o 32.02772 11.10853 73.40000       42.51098 0.000000       0.000000 73.40000       42.51098 ?        ?        32.02772 11.10853 ?              ?        
1 1 1 -9  37 36 o 20.33090 9.358397 -3.285000      42.92387 -3.285000      42.92387 0.000000       0.000000 20.33090 9.358397 ?        ?        ?              ?        
1 1 1 -9  37 37 o 23.97692 9.221564 34.33111       30.47490 4.142000       44.23681 61.60000       42.04287 21.15267 9.647758 29.23906 10.92530 -8.086391      14.57537 
1 1 1 -9  37 38 o 38.58499 8.497534 93.43411       31.22422 82.03000       44.09820 104.9000       44.21746 32.65680 11.31468 37.47586 11.19702 -4.819054      15.91839 
1 1 1 -9  37 39 o 26.02417 9.202378 44.75444       29.26282 49.07000       40.72958 40.15000       42.07074 26.54294 10.52754 25.11308 10.42162 1.429863       14.81348 
1 1 1 -9  38 1  o 38.86590 5.137094 79.09498       19.06498 18.40000       44.89936 92.44524       21.05758 24.48123 10.49080 42.01035 5.234109 -17.52911      11.72402 
1 1 1 -9  38 2  o 31.80388 6.068028 54.70509       18.20105 84.99000       43.96451 48.44090       19.99501 36.34328 11.22865 29.45225 7.033037 6.891035       13.24938 
1 1 1 -9  38 3  o 22.80359 7.003383 28.54888       17.13360 58.03000       42.71512 22.89613       18.70422 30.78290 11.09206 21.06182 7.364492 9.721083       13.31426 
1 1 1 -9  38 4  o 24.66296 7.301114 33.98469       18.86905 56.34000       42.95910 28.64081       21.00357 30.44310 11.10180 23.02107 7.813999 7.422029       13.57603 
1 1 1 -9  38 5  o 20.07595 7.285993 19.76133       18.47215 12.85000       42.11044 21.40810       20.55537 23.25107 10.06313 20.88761 7.669434 2.363461       12.65254 
1 1 1 -9  38 6  o 28.43815 6.451791 44.50094       17.54550 9.131000       42.22080 51.88417       19.29002 22.77567 9.963555 30.68032 6.618097 -7.904646      11.96126 
1 1 1 -9  38 7  o 22.56757 9.833556 9.707000       40.77615 0.000000       0.000000 9.707000       40.77615 ?        ?        22.56757 9.833556 ?              ?        
1 1 1 -9  38 8  o 25.89192 9.526808 36.83085       31.74406 0.000000       0.000000 36.83085       31.74406 ?        ?        25.89192 9.526808 ?              ?        
1 1 1 -9  38 9  o 39.50424 4.954460 81.47926       18.73759 73.26000       45.22152 83.18289       20.58812 33.59319 11.46459 39.67180 5.445393 -6.078609      12.69209 
1 1 1 -9  38 10 o 30.51760 6.596028 51.47469       19.12778 13.08000       43.67522 60.58670       21.27680 23.43254 10.19423 33.06422 6.801306 -9.631676      12.25480 
1 1 1 -9  38 11 o 22.63517 7.088395 28.28485       17.45556 32.20000       43.24149 27.52265       19.07916 26.01393 10.65687 22.45168 7.445546 3.562252       13.00020 
1 1 1 -9  38 12 f 53.98186 4.138161 148.9459       21.69889 89.55000       47.12383 164.9282       24.44456 36.51815 11.67345 56.63728 4.444931 -20.11913      12.49107 
1 1 1 -9  38 13 o 47.94310 4.473637 118.5176       20.75155 102.1000       47.10225 122.4716       23.11580 39.14454 11.52176 48.47799 4.940419 -9.333454      12.53630 
1 1 1 -9  38 14 o 27.45116 7.002447 42.55499       18.87301 45.36000       44.22260 41.93032       20.86894 28.09236 11.02280 27.02897 7.582005 1.063391       13.37867 
1 1 1 -9  38 15 o 49.38276 4.450697 125.8548       21.28281 78.59000       47.17115 137.9355       23.84811 34.05278 11.70652 51.51226 4.784425 -17.45948      12.64647 
1 1 1 -9  38 16 o 37.25044 5.677576 74.40896       20.04791 -37.74000      45.01669 102.1544       22.39091 18.46426 8.827740 43.96801 5.310124 -25.50376      10.30177 
1 1 1 -9  38 17 o 63.08055 3.869283 202.5138       23.77593 171.1000       52.82661 210.4937       26.62505 51.82560 10.76583 64.05009 4.271234 -12.22449      11.58217 
1 1 1 -9  38 18 o 57.88562 4.051330 171.4943       22.80993 126.3000       49.76921 183.5118       25.66401 43.18031 11.55023 59.63799 4.427973 -16.45768      12.36992 
1 1 1 -9  38 19 o 42.13145 7.250036 100.3453       28.82054 110.1000       47.46864 94.65000       36.27106 40.06242 11.50195 38.95575 9.579994 1.106678       14.96900 
1 1 1 -9  38 20 o 23.48323 8.048163 31.35596       22.29058 1.434000       44.18435 41.57135       25.81670 21.59112 9.766287 26.35633 8.657560 -4.765209      13.05120 
1 1 1 -9  38 21 o 34.66156 5.879336 65.54807       19.23516 0.000000       0.000000 65.54807       19.23516 ?        ?        34.66156 5.879336 ?              ?        
1 1 1 -9  38 22 o 22.86700 9.095600 26.01048       30.48658 27.89000       44.80436 24.39000       41.60253 24.81112 10.55134 23.96169 10.17785 0.8494377      14.66013 
1 1 1 -9  38 23 o 27.60180 9.384216 47.41282       30.29435 9.155000       43.46049 83.57000       42.25050 22.20790 9.892871 34.78865 11.04584 -12.58075      14.82833 
1 1 1 -9  38 24 o 44.89819 7.783834 116.9267       32.96888 77.71000       47.87480 152.3000       45.46830 32.97384 11.75933 49.26199 9.774655 -16.28815      15.29136 
1 1 1 -9  38 25 o 19.86073 8.477443 11.02786       29.11119 20.83000       43.62031 3.156000       39.09012 23.67066 10.24334 20.73383 9.298659 2.936831       13.83442 
1 1 1 -9  38 26 o 25.22873 9.235530 37.86625       29.77218 7.165000       45.33920 61.14000       39.47562 22.17697 9.974504 30.12750 10.68492 -7.950525      14.61706 
1 1 1 -9  38 27 o 41.54525 8.176641 102.6209       32.06633 75.69000       47.83473 124.6000       43.21381 32.35342 11.72712 43.64912 10.28443 -11.29570      15.59791 
1 1 1 -9  38 28 o 33.45415 9.124718 70.62603       30.69988 28.90000       45.64241 105.1000       41.48687 24.80133 10.60141 39.57669 10.52704 -14.77536      14.94017 
1 1 1 -9  38 29 o 20.49916 8.645733 14.74424       29.66923 -23.11000      43.75238 46.97000       40.36882 18.91917 8.946251 27.26276 10.57899 -8.343586      13.85462 
1 1 1 -9  38 30 f 29.47688 11.27286 59.70000       45.36646 59.70000       45.36646 0.000000       0.000000 29.47688 11.27286 ?        ?        ?              ?        
1 1 1 -9  38 31 o 33.84349 9.196185 73.13101       31.25161 54.74000       45.66712 89.33000       42.85928 28.45761 11.19075 35.42581 11.10909 -6.968201      15.76847 
1 1 1 -9  38 32 o 28.59156 10.83832 55.51000       41.70513 0.000000       0.000000 55.51000       41.70513 ?        ?        28.59156 10.83832 ?              ?        
1 1 1 -9  38 33 o 14.36281 6.905776 -30.03784      28.42874 -29.74000      41.98552 -30.29000      38.63211 17.87864 8.541645 17.07966 8.169033 0.7989750      11.81917 
1 1 1 -9  38 34 o 20.43842 8.622227 15.95547       29.51978 8.852000       43.45992 22.04000       40.22234 21.66360 9.752716 22.87317 9.867030 -1.209578      13.87349 
1 1 1 -9  38 35 f 22.85279 9.012815 29.21712       29.69743 11.73000       43.31414 44.73000       40.79591 21.82968 9.789300 26.22855 10.49205 -4.398876      14.34969 
1 1 1 -9  38 36 o 18.05530 8.033152 3.448987       28.56628 12.38000       40.51652 -5.379000      40.28215 21.34283 9.526790 19.35594 8.964894 1.986891       13.08163 
1 1 1 -9  38 37 o 25.70565 10.52562 43.46000       42.15789 0.000000       0.000000 43.46000       42.15789 ?        ?        25.70565 10.52562 ?              ?        
1 1 1 -9  39 1  o 51.56645 4.166526 136.1334       20.85146 160.5000       45.80046 129.7625       23.41927 51.85796 9.367610 49.95272 4.850694 1.905231       10.54900 
1 1 1 -9  39 2  o 26.35720 6.829486 39.00787       17.76104 8.698000       40.93747 46.03612       19.71299 22.26135 9.772706 28.53638 7.089133 -6.275030      12.07318 
1 1 1 -9  39 3  o 36.00345 6.132355 70.37049       20.83727 49.63000       42.47804 76.94281       23.91193 28.79136 10.93268 37.28097 6.803317 -8.489607      12.87667 
1 1 1 -9  39 4  o 19.96544 7.307620 19.66286       18.63856 -13.32000      40.83921 28.34032       20.94737 19.71528 9.094206 22.78150 7.802081 -3.066221      11.98236 
1 1 1 -9  39 5  o 28.28764 9.169299 47.80016       29.00633 19.55000       42.08673 73.36000       40.03260 23.89798 10.19670 33.71141 10.75753 -9.813427      14.82218 
1 1 1 -9  39 6  o 28.21304 7.027775 44.95716       19.33490 0.000000       0.000000 44.95716       19.33490 ?        ?        28.21304 7.027775 ?              ?        
1 1 1 -9  39 7  f 20.53071 7.031788 22.26844       17.01540 -43.16000      41.49057 35.49738       18.65644 17.25877 8.309547 25.03219 7.218237 -7.773422      11.00689 
1 1 1 -9  39 8  o 28.97718 6.271331 46.32763       17.27069 27.47000       43.33147 49.88911       18.83109 25.12176 10.51255 29.92866 6.605270 -4.806900      12.41545 
1 1 1 -9  39 9  o 33.69730 8.023144 66.21994       26.08137 61.06000       44.30225 68.95688       32.26530 30.76112 11.26515 33.43033 9.445212 -2.669209      14.70087 
1 1 1 -9  39 10 o 15.48262 6.386035 6.242964       15.66551 15.26000       43.10738 4.870939       16.81515 23.32877 10.13863 15.54669 6.530037 7.782077       12.05957 
1 1 1 -9  39 11 o 38.79037 5.270085 79.74377       19.49299 98.34000       45.66800 75.60085       21.55526 38.21553 11.36985 37.27718 6.119672 0.9383507      12.91216 
1 1 1 -9  39 12 o 36.66544 5.862425 72.63956       20.33135 93.46000       44.38000 67.10922       22.87272 37.33389 11.23215 34.54605 7.004158 2.787838       13.23705 
1 1 1 -9  39 13 o 51.81053 5.752565 143.5683       28.68216 95.99000       47.45884 170.9458       36.00064 37.25557 11.69102 55.74196 6.734491 -18.48639      13.49197 
1 1 1 -9  39 14 o 36.16723 5.781203 70.76553       19.77746 36.52000       43.94472 79.46367       22.14716 26.26846 10.75009 38.14388 6.140195 -11.87542      12.38009 
1 1 1 -9  39 15 o 19.57985 7.262032 18.93986       18.50937 -29.30000      42.78682 30.04574       20.52974 18.45007 8.760276 23.06925 7.725194 -4.619177      11.67994 
1 1 1 -9  39 16 o 45.07408 6.154820 110.9459       26.44632 101.2000       46.64092 115.5641       32.10657 38.04534 11.52961 44.88398 7.577464 -6.838634      13.79673 
1 1 1 -9  39 17 o 15.90334 6.952409 1.088859       20.52668 -22.67000      42.05095 8.521028       23.51911 18.75613 8.839157 18.16891 7.682051 0.5872269      11.71088 
1 1 1 -9  39 18 o 43.69745 5.922408 103.7536       24.68003 114.0000       46.50948 99.73756       29.11774 40.70861 11.28204 41.72931 7.399614 -1.020706      13.49217 
1 1 1 -9  39 19 o 48.95828 5.350275 127.8894       25.22254 78.99000       48.03025 146.5091       29.63812 33.09385 11.78095 51.95531 5.934234 -18.86147      13.19113 
1 1 1 -9  39 20 o 54.80204 5.860460 162.5813       30.94907 0.000000       0.000000 162.5813       30.94907 ?        ?        54.80204 5.860460 ?              ?        
1 1 1 -9  39 21 o 39.68996 4.760983 82.94746       18.12753 94.86000       46.11337 80.77010       19.71471 36.52045 11.53280 38.82621 5.327871 -2.305759      12.70400 
1 1 1 -9  39 22 o 17.47209 7.879797 -3.620623      28.51575 -10.84000      41.56610 2.798000       39.19316 19.67693 9.111150 20.68574 9.291289 -1.008814      13.01311 
1 1 1 -9  39 23 o 24.80530 9.145034 36.27357       29.27496 52.86000       42.86956 21.78000       40.07378 28.37010 10.93045 23.20709 9.927147 5.163010       14.76560 
1 1 1 -9  39 24 o 19.39319 8.349798 9.241749       28.69685 -2.394000      42.15593 19.29000       39.17480 20.56932 9.395600 22.73512 9.771817 -2.165798      13.55602 
1 1 1 -9  39 25 o 43.06456 7.985654 109.6572       32.42258 103.4000       48.01919 114.9000       43.95481 37.58609 11.75478 41.07042 10.79432 -3.484333      15.95907 
1 1 1 -9  39 26 o 23.02706 9.027907 28.24490       29.64376 4.970000       43.13791 49.07000       40.80455 21.48308 9.689963 27.59844 10.65579 -6.115356      14.40282 
1 1 1 -9  39 27 o 20.10224 8.554948 12.86670       29.49044 -47.49000      43.29251 65.12000       40.28162 16.96761 8.245262 30.69945 10.80193 -13.73184      13.58919 
1 1 1 -9  39 28 o 35.72503 9.144330 80.78801       32.10793 61.33000       45.85781 99.50000       44.97013 29.62807 11.33299 37.28214 11.32597 -7.654064      16.02230 
1 1 1 -9  39 29 o 21.22677 9.602832 4.550000       42.73557 4.550000       42.73557 0.000000       0.000000 21.22677 9.602832 ?        ?        ?              ?        
1 1 1 -9  39 30 o 32.59406 9.371716 69.01565       31.49158 43.46000       46.02069 91.52000       43.18599 26.56149 10.94957 35.67417 11.14613 -9.112675      15.62464 
1 1 1 -9  39 31 f 16.83823 8.091027 -33.57000      38.88763 0.000000       0.000000 -33.57000      38.88763 ?        ?        16.83823 8.091027 ?              ?        
1 1 1 -9  39 32 o 19.84315 8.503143 12.70860       29.49650 14.04000       43.24186 11.55000       40.33807 22.16652 9.871603 21.46284 9.547763 0.7036819      13.73347 
1 1 1 -9  39 33 o 38.37386 8.749412 93.11318       32.13210 134.8000       47.50256 57.95000       43.62764 43.27728 11.14616 28.38313 11.00212 14.89416       15.66153 
1 1 1 -9  39 34 o 16.93744 7.711994 -3.686393      28.11278 -10.58000      39.79830 3.179000       39.71678 18.72724 8.753110 20.12147 9.163580 -1.394222      12.67234 
1 1 1 -9  39 35 o 18.10179 8.004144 5.219566       27.92822 -16.04000      38.14272 29.79000       41.00539 17.82985 8.407455 23.53153 10.05328 -5.701681      13.10549 
1 1 1 -9  40 1  o 26.06769 7.016230 38.65590       18.29514 14.44000       41.59658 44.46384       20.37130 22.91406 9.958880 27.79858 7.368623 -4.884523      12.38854 
1 1 1 -9  40 2  o 17.10922 7.903661 -13.45225      31.01005 20.79000       39.40041 -69.19000      50.26831 23.46395 9.932967 17.52554 8.595080 5.938404       13.13542 
1 1 1 -9  40 3  f 21.52057 7.297367 25.21678       18.31764 38.20000       41.42989 22.06207       20.42218 26.43298 10.57345 20.81159 7.644041 5.621391       13.04719 
1 1 1 -9  40 4  o 29.28558 6.440001 47.78367       17.95727 22.98000       43.19948 52.96480       19.74389 24.27646 10.34355 30.69880 6.754336 -6.422337      12.35354 
1 1 1 -9  40 5  o 46.06264 5.089102 111.7374       22.56330 0.000000       0.000000 111.7374       22.56330 ?        ?        46.06264 5.089102 ?              ?        
1 1 1 -9  40 6  o 14.43340 6.303468 -0.7036269E-01 16.83675 9.243000       39.85209 -2.093885      18.57598 21.85483 9.616611 14.69920 6.512323 7.155627       11.61420 
1 1 1 -9  40 7  o 21.63052 7.050893 25.90912       17.13864 17.59000       39.59572 27.82704       19.01187 22.91415 9.836085 22.33838 7.433154 0.5757713      12.32884 
1 1 1 -9  40 8  o 28.72546 6.333539 46.01217       17.32835 94.67000       41.98747 36.02323       19.02405 37.67143 10.81816 25.01869 7.311006 12.65273       13.05693 
1 1 1 -9  40 9  o 14.76905 6.922485 -17.59896      25.18631 -29.95000      39.58400 -9.197318      32.64750 17.62726 8.385727 17.94890 8.224873 -0.3216400     11.74602 
1 1 1 -9  40 10 o 21.64125 8.449479 22.80597       25.87769 50.53000       42.44402 6.402998       32.64747 28.31727 10.88490 19.96155 8.746215 8.355721       13.96343 
1 1 1 -9  40 11 o 17.84375 6.732759 14.78570       16.05011 19.42000       41.56038 13.97338       17.40000 23.26886 10.03371 17.90679 6.946243 5.362068       12.20351 
1 1 1 -9  40 12 o 31.86146 6.623731 57.23998       19.98270 56.30000       43.29276 57.49446       22.52579 29.21051 11.04958 31.41508 7.440798 -2.204567      13.32136 
1 1 1 -9  40 13 o 20.67232 7.223045 23.09379       17.99068 9.989000       42.01070 26.03679       19.90858 22.08077 9.787532 21.72718 7.597839 0.3535881      12.39044 
1 1 1 -9  40 14 o 20.81971 7.287886 23.52884       18.32022 -9.863000      42.45541 31.16934       20.30831 19.95408 9.228465 23.27791 7.680161 -3.323833      12.00623 
1 1 1 -9  40 15 o 36.47422 5.815478 72.64700       20.06572 5.448000       44.29940 89.99313       22.50701 21.83670 9.837169 40.65846 5.821265 -18.82176      11.43053 
1 1 1 -9  40 16 o 36.45373 6.596689 74.66090       22.67196 12.68000       45.42309 95.22535       26.16413 22.79747 10.13717 41.16440 6.725513 -18.36693      12.16531 
1 1 1 -9  40 17 o 33.56239 6.330897 62.86937       20.03570 66.71000       45.07532 61.92372       22.36672 30.89435 11.35490 32.74779 7.176363 -1.853437      13.43257 
1 1 1 -9  40 18 o 62.03820 4.353212 199.4144       26.26697 0.000000       0.000000 199.4144       26.26697 ?        ?        62.03820 4.353212 ?              ?        
1 1 1 -9  40 19 o 22.27692 7.917071 27.79646       21.68282 64.03000       47.19174 18.10050       24.41216 30.24960 11.51460 20.22008 8.106805 10.02952       14.08212 
1 1 1 -9  40 20 o 21.86626 8.072367 26.09143       22.82325 -50.90000      44.73408 53.18500       26.53692 17.08044 8.318465 29.26125 8.657428 -12.18081      12.00616 
1 1 1 -9  40 21 o 23.34093 6.646026 31.15121       15.91241 14.17000       44.29655 33.66716       17.05051 22.72116 10.06191 24.15870 6.879830 -1.437540      12.18910 
1 1 1 -9  40 22 o 34.47118 9.121264 75.29632       31.24941 47.84000       45.53468 99.74000       42.96397 27.40561 11.04250 37.79709 10.97036 -10.39148      15.56552 
1 1 1 -9  40 23 o 20.89581 8.703115 17.54338       29.49276 12.79000       42.80319 21.84000       40.69477 22.28090 9.877664 23.16978 9.959126 -0.8888760     14.02685 
1 1 1 -9  40 24 o 19.28812 8.336496 8.964664       28.82045 4.254000       41.68128 13.28000       39.89398 21.08876 9.517357 21.89131 9.627556 -0.8025475     13.53772 
1 1 1 -9  40 25 o 31.50025 9.250762 63.76931       30.39311 71.50000       43.29799 56.26000       42.67352 31.61576 11.19244 28.75383 10.94850 2.861921       15.65695 
1 1 1 -9  40 26 o 32.08129 9.236259 66.42342       30.56904 68.25000       44.07291 64.73000       42.43585 30.77168 11.24121 30.21968 11.03187 0.5520058      15.75014 
1 1 1 -9  40 27 o 21.19247 9.576542 5.392000       42.36099 5.392000       42.36099 0.000000       0.000000 21.19247 9.576542 ?        ?        ?              ?        
1 1 1 -9  40 28 o 30.28807 9.370198 59.90605       30.60392 73.81000       45.20377 48.14000       41.58349 31.63112 11.40893 27.12042 10.67449 4.510702       15.62397 
1 1 1 -9  40 29 o 27.67753 10.77060 52.27000       41.93702 0.000000       0.000000 52.27000       41.93702 ?        ?        27.67753 10.77060 ?              ?        
1 1 1 -9  40 30 o 15.72016 7.387722 -16.84163      29.01268 -32.27000      42.55397 -3.441000      39.65907 17.61572 8.464424 19.58061 9.006637 -1.964891      12.35985 
1 1 1 -9  40 31 o 22.74056 8.968123 29.35728       29.40238 -4.287000      41.81810 62.25000       41.34838 19.77097 9.149101 29.16700 10.84718 -9.396032      14.19040 
1 1 1 -9  40 32 o 18.97734 8.231606 10.29271       28.30312 5.827000       39.23102 15.14000       40.87274 20.27552 9.183787 21.60680 9.611377 -1.331285      13.29363 
1 1 1 -9  40 33 o 21.81663 8.749613 26.17867       28.44623 40.50000       39.30101 10.42000       41.22608 24.99853 10.19059 21.02112 9.477993 3.977411       13.91691 
1 1 1 -9  41 1  o 33.52270 6.784701 63.69802       21.49759 92.35000       43.96333 54.69410       24.64502 36.33891 11.22871 30.12722 8.158149 6.211693       13.87945 
1 1 1 -9  41 2  o 19.88649 7.142006 20.72656       17.69219 12.42000       41.32557 22.59068       19.57700 22.22728 9.786182 20.66511 7.500591 1.562174       12.32997 
1 1 1 -9  41 3  f 28.03357 7.306354 45.83181       20.24904 0.000000       0.000000 45.83181       20.24904 ?        ?        28.03357 7.306354 ?              ?        
1 1 1 -9  41 4  o 23.06273 7.425754 30.51833       19.04402 0.000000       0.000000 30.51833       19.04402 ?        ?        23.06273 7.425754 ?              ?        
1 1 1 -9  41 5  o 11.65380 5.486529 -14.16298      16.12831 -42.50000      40.62898 -8.862287      17.57215 16.79143 8.118661 13.07390 6.006921 3.717531       10.09929 
1 1 1 -9  41 6  o 32.96882 6.000741 59.92317       18.65169 62.21000       43.37549 59.40440       20.65922 30.20512 11.13237 32.36652 6.740239 -2.161398      13.01386 
1 1 1 -9  41 7  f 39.73844 5.019872 83.86242       19.09095 122.1000       44.58880 75.27940       21.12520 42.74356 10.68672 36.99707 6.041806 5.746494       12.27637 
1 1 1 -9  41 8  o 17.71891 6.789565 14.23960       16.47847 15.62000       40.59028 13.96720       18.03120 22.45945 9.798368 17.98570 7.044064 4.473753       12.06759 
1 1 1 -9  41 9  o 40.00445 4.982116 84.97753       19.08711 65.52000       43.16940 89.70561       21.28016 30.71264 11.13942 40.80397 5.465337 -10.09133      12.40792 
1 1 1 -9  41 10 o 24.31872 8.499813 34.89312       24.91415 50.23000       41.38607 26.17607       31.20115 27.86056 10.73821 22.81168 9.158406 5.048882       14.11331 
1 1 1 -9  41 11 o 9.745217 4.795496 -30.30716      16.07463 -34.01000      39.22829 -29.55994      17.62205 17.03331 8.169476 10.50613 5.139220 6.527182       9.651524 
1 1 1 -9  41 12 o 25.55570 7.432101 38.38543       19.70141 -6.224000      42.06613 50.91967       22.29811 20.14232 9.268987 29.26965 7.686035 -9.127329      12.04115 
1 1 1 -9  41 13 o 54.90825 6.751137 168.6082       35.52155 182.7000       51.58420 155.9000       48.98652 53.15145 10.28694 48.59537 10.59777 4.556080       14.76936 
1 1 1 -9  41 14 o 56.53199 4.759645 167.7072       26.09313 105.6000       48.60854 192.8483       30.92671 38.02992 11.81636 60.16475 5.305836 -22.13483      12.95292 
1 1 1 -9  41 15 o 31.63819 6.643504 56.89761       19.91779 70.52000       46.03606 53.76035       22.09261 31.33940 11.48241 30.16962 7.510588 1.169777       13.72060 
1 1 1 -9  41 16 o 11.94505 5.690101 -19.01291      18.34874 -16.80000      44.06960 -19.47697      20.18117 19.45001 9.129376 12.62820 6.001855 6.821807       10.92556 
1 1 1 -9  41 17 o 48.44266 5.136260 125.0408       23.98396 0.000000       0.000000 125.0408       23.98396 ?        ?        48.44266 5.136260 ?              ?        
1 1 1 -9  41 18 o 55.03463 4.138154 156.7071       22.12872 120.4000       50.24587 165.4438       24.64779 40.39773 11.90253 56.27207 4.512651 -15.87434      12.72927 
1 1 1 -9  41 19 o 17.20708 7.252601 7.998616       20.85649 27.62000       43.97246 2.303128       23.69089 24.25570 10.38779 16.92042 7.431012 7.335289       12.77208 
1 1 1 -9  41 20 o 23.44442 8.114028 32.22401       22.67559 -38.64000      43.54393 58.59150       26.56129 17.57571 8.474846 30.70470 8.532127 -13.12899      12.02581 
1 1 1 -9  41 21 o 22.48652 7.496942 29.20838       19.33772 39.98000       42.90222 26.46198       21.66313 25.94224 10.61981 21.78483 7.892506 4.157402       13.23148 
1 1 1 -9  41 22 o 27.81862 9.383290 49.76114       30.28493 10.77000       42.79439 88.88000       42.86443 21.94498 9.793565 35.20714 11.11924 -13.26216      14.81727 
1 1 1 -9  41 23 o 17.15140 7.795622 -4.683150      28.56736 2.667000       40.92216 -11.67000      39.89800 20.65700 9.365768 18.97246 8.833203 1.684547       12.87413 
1 1 1 -9  41 24 o 23.97625 9.138780 33.84594       29.75150 78.71000       43.77617 -4.664000      40.55785 32.66933 11.27550 19.75459 9.094461 12.91474       14.48606 
1 1 1 -9  41 25 o 13.77767 6.697217 -37.03729      28.62195 19.84000       40.27557 -95.07000      40.68260 22.59407 9.809808 13.68770 6.875281 8.906368       11.97922 
1 1 1 -9  41 26 o 16.84427 8.131139 -37.31000      40.35250 -37.31000      40.35250 0.000000       0.000000 16.84427 8.131139 ?        ?        ?              ?        
1 1 1 -9  41 27 o 29.20427 9.385518 56.67408       30.43225 59.67000       43.88966 53.90000       42.23350 28.73046 11.06223 27.77557 10.80864 0.9548988      15.46608 
1 1 1 -9  41 28 o 20.13400 9.130610 3.673000       38.91845 0.000000       0.000000 3.673000       38.91845 ?        ?        20.13400 9.130610 ?              ?        
1 1 1 -9  41 29 o 21.56950 8.698318 24.54729       28.28003 30.72000       39.62626 18.14000       40.37217 23.62620 9.979562 21.96211 9.670916 1.664087       13.89670 
1 1 1 -9  41 30 o 32.12973 9.019229 68.72581       29.51951 45.15000       41.22274 93.54000       42.29155 25.74385 10.45821 35.00184 11.04342 -9.257996      15.20957 
1 1 1 -9  41 31 o 48.62028 7.020292 138.6204       32.44377 101.0000       45.14591 178.8000       46.65620 35.79898 11.42393 51.96560 9.523333 -16.16662      14.87280 
1 1 1 -9  42 1  o 26.95172 7.348140 42.72838       19.91392 35.86000       41.79157 44.74602       22.65078 25.40898 10.45024 27.24762 7.981722 -1.838636      13.14973 
1 1 1 -9  42 2  o 20.07861 7.796770 19.44309       21.93930 0.000000       0.000000 19.44309       21.93930 ?        ?        20.07861 7.796770 ?              ?        
1 1 1 -9  42 3  o 24.70127 7.506511 35.88217       19.75150 0.000000       0.000000 35.88217       19.75150 ?        ?        24.70127 7.506511 ?              ?        
1 1 1 -9  42 4  o 30.25181 7.153017 53.19728       20.84552 14.09000       43.55389 64.81752       23.74137 22.61294 9.997359 33.24844 7.476964 -10.63550      12.48408 
1 1 1 -9  42 5  o 27.98777 6.834979 45.10491       18.56020 -1.018000      43.05060 55.63493       20.57006 20.82858 9.506678 31.09785 6.934498 -10.26927      11.76708 
1 1 1 -9  42 6  o 21.57343 7.229945 26.21676       17.98147 -11.11000      41.96655 34.61048       19.90080 19.60998 9.105948 24.28046 7.563331 -4.670485      11.83733 
1 1 1 -9  42 7  o 30.17358 6.456577 51.48153       18.49310 19.54000       42.82910 58.80147       20.50289 23.18728 10.09117 32.12035 6.736678 -8.933071      12.13320 
1 1 1 -9  42 8  o 37.81201 5.253567 76.80260       18.91971 52.58000       43.76661 82.36939       20.98142 28.19751 10.99447 38.90034 5.677589 -10.70282      12.37390 
1 1 1 -9  42 9  o 19.97321 7.131739 21.36992       17.61428 12.36000       42.11270 23.28040       19.39205 22.10939 9.799856 20.72800 7.473049 1.381395       12.32411 
1 1 1 -9  42 10 f 21.57761 7.095392 26.45143       17.33872 42.93000       42.93705 23.24073       18.95274 26.45206 10.69982 20.65776 7.395278 5.794300       13.00678 
1 1 1 -9  42 11 o 19.28559 8.003813 13.75914       24.81669 -1.918000      42.60604 21.80900       30.53036 20.53898 9.405826 21.77563 8.941365 -1.236649      12.97758 
1 1 1 -9  42 12 o 16.75579 6.987597 8.182329       19.04668 21.80000       42.88861 4.836824       21.25796 23.36457 10.13382 16.68944 7.186122 6.675129       12.42315 
1 1 1 -9  42 13 o 37.62842 7.781298 84.00060       27.71305 5.275000       45.98511 128.9000       34.72797 21.83900 9.912204 46.74033 7.869997 -24.90132      12.65656 
1 1 1 -9  42 14 o 19.90786 7.395590 20.63360       19.21080 18.17000       44.44932 21.19949       21.30320 23.03950 10.14634 20.33741 7.737601 2.702089       12.76004 
1 1 1 -9  42 15 f 56.10025 4.728833 165.7377       25.72564 0.000000       0.000000 165.7377       25.72564 ?        ?        56.10025 4.728833 ?              ?        
1 1 1 -9  42 16 o 32.66014 7.983296 64.56654       25.30308 87.23000       49.58166 56.58555       29.42295 33.73992 11.97392 29.63643 9.190814 4.103487       15.09456 
1 1 1 -9  42 17 o 37.71976 5.650834 77.77831       20.22200 10.85000       46.43108 93.44533       22.46451 22.41631 10.08702 41.35903 5.700523 -18.94272      11.58637 
1 1 1 -9  42 18 o 28.17932 6.987507 46.35422       19.17791 41.18000       44.08084 47.56224       21.29931 26.09403 10.73238 28.19203 7.562687 -2.098005      13.12929 
1 1 1 -9  42 19 o 21.59596 7.848555 26.02711       21.44492 20.35000       43.94627 27.80150       24.56872 23.17269 10.15047 22.29680 8.347604 0.8758869      13.14209 
1 1 1 -9  42 20 o 26.24263 8.055763 42.22527       22.67306 -1.860000      42.48086 59.78577       26.81113 20.35974 9.349056 30.81260 8.575925 -10.45286      12.68666 
1 1 1 -9  42 21 f 29.04966 9.435112 55.67851       30.70373 50.35000       43.96834 60.75000       42.89481 27.33265 10.90621 29.16241 11.00598 -1.829756      15.49442 
1 1 1 -9  42 22 o 26.13742 9.396230 43.74422       30.63159 -1.094000      43.59932 87.45000       43.04522 20.58589 9.459676 34.47350 11.16962 -13.88761      14.63714 
1 1 1 -9  42 23 o 27.65429 9.394461 50.10989       30.35983 62.09000       42.92653 38.12000       42.94404 29.35767 11.02506 25.34161 10.52395 4.016060       15.24157 
1 1 1 -9  42 24 o 23.88375 10.03308 30.96000       39.70288 30.96000       39.70288 0.000000       0.000000 23.88375 10.03308 ?        ?        ?              ?        
1 1 1 -9  42 25 o 18.09401 7.987904 4.869581       27.70846 0.3641000      37.57480 10.24000       41.02326 19.49883 8.892755 21.19172 9.513182 -1.692894      13.02235 
1 1 1 -9  42 26 o 33.12019 11.25133 84.68000       43.54753 0.000000       0.000000 84.68000       43.54753 ?        ?        33.12019 11.25133 ?              ?        
1 1 1 -9  42 27 o 17.29163 7.802154 -0.1433342     27.99538 -6.598000      38.75669 6.899000       40.48257 18.78505 8.732400 20.49482 9.301384 -1.709766      12.75816 
1 1 1 -9  42 28 f 18.76042 8.156642 10.31446       27.92499 34.41000       38.73892 -15.75000      40.29058 23.81156 9.950318 18.12828 8.576075 5.683273       13.13613 
1 1 1 -9  42 29 o 29.10121 9.151373 58.17382       29.06433 34.07000       40.80713 82.99000       41.40574 23.73031 10.07985 32.47674 10.97164 -8.746435      14.89900 
1 1 1 -9  43 1  o 29.47813 7.453128 51.59527       21.51414 0.000000       0.000000 51.59527       21.51414 ?        ?        29.47813 7.453128 ?              ?        
1 1 1 -9  43 2  o 20.49382 7.489174 22.57454       19.56453 30.23000       39.55259 20.09468       22.51139 24.15333 10.07076 20.22982 7.885830 3.923506       12.79088 
1 1 1 -9  43 3  o 28.58794 7.134312 47.91930       19.89875 45.13000       40.64893 48.79838       22.81998 26.66278 10.53544 28.35713 7.919090 -1.694347      13.17981 
1 1 1 -9  43 4  o 20.58624 7.217793 23.39573       17.97414 21.96000       39.54189 23.76965       20.17942 22.91541 9.832889 20.88867 7.610188 2.026743       12.43385 
1 1 1 -9  43 5  o 47.60110 5.221082 121.4663       23.92799 0.000000       0.000000 121.4663       23.92799 ?        ?        47.60110 5.221082 ?              ?        
1 1 1 -9  43 6  o 19.85827 7.172695 21.10196       17.87462 15.07000       39.76090 22.62978       20.01068 21.97443 9.639465 20.53571 7.562565 1.438726       12.25201 
1 1 1 -9  43 7  o 22.95642 7.524241 30.85533       19.50447 33.31000       40.89719 30.13265       22.19065 24.67197 10.26001 22.77261 8.017009 1.899361       13.02076 
1 1 1 -9  43 8  o 11.91246 5.592554 -13.18865      16.55212 -37.23000      39.72566 -8.138115      18.20791 16.75179 8.081841 13.35246 6.127420 3.399332       10.14206 
1 1 1 -9  43 9  o 31.25441 6.351019 55.30141       18.76614 60.70000       42.61895 54.00295       20.90145 29.34215 10.99253 30.33885 7.155286 -0.9966984     13.11617 
1 1 1 -9  43 10 o 35.86669 5.646500 70.49403       19.16870 78.36000       44.63667 68.71539       21.22553 32.56086 11.37736 34.85135 6.459855 -2.290497      13.08335 
1 1 1 -9  43 11 o 22.61037 9.179223 26.07140       31.73227 64.19000       44.04161 -15.08000      45.76011 29.90050 11.18006 19.76470 9.285213 10.13579       14.53303 
1 1 1 -9  43 12 o 13.59881 6.276468 -9.716233      19.49338 -9.626000      42.85049 -9.739780      21.88953 19.70693 9.168085 14.45316 6.663715 5.253767       11.33397 
1 1 1 -9  43 13 o 21.86058 7.948900 26.93930       22.00076 47.54000       45.05303 20.48840       25.21117 27.01521 10.94845 20.65891 8.253399 6.356300       13.71084 
1 1 1 -9  43 14 o 33.24217 8.408126 68.55989       27.37309 0.000000       0.000000 68.55989       27.37309 ?        ?        33.24217 8.408126 ?              ?        
1 1 1 -9  43 15 o 46.62563 4.891079 115.6284       21.99024 72.89000       47.04066 127.5798       24.87564 31.13590 11.57161 48.66034 5.308671 -17.52444      12.73122 
1 1 1 -9  43 16 o 23.06340 7.488857 31.46014       19.34389 32.20000       43.20974 31.27470       21.63271 24.48938 10.38609 22.98435 7.926614 1.505028       13.06530 
1 1 1 -9  43 17 o 16.99874 6.989293 10.16234       18.68718 54.13000       41.96204 -0.7146466     20.87104 27.90380 10.79721 15.45712 6.872440 12.44668       12.79883 
1 1 1 -9  43 18 o 17.64401 7.086873 12.87409       18.69158 60.38000       41.45390 0.7508093      20.94120 29.04339 10.84925 15.72521 6.943127 13.31819       12.88073 
1 1 1 -9  43 19 o 18.84403 7.449161 16.39375       20.32960 5.462000       39.18733 20.41922       23.77988 20.50732 9.244007 20.34255 8.051798 0.1647701      12.25900 
1 1 1 -9  43 20 o 22.61217 8.836277 28.80680       28.32136 23.83000       38.28778 34.82000       42.08600 22.70906 9.708493 24.64193 10.33931 -1.932869      14.18295 
1 1 1 -9  43 21 o 26.99956 9.137586 47.89862       28.72016 57.51000       39.23216 36.80000       42.15839 28.36962 10.56299 24.81095 10.37495 3.558670       14.80596 
1 1 1 -9  43 22 o 19.98236 9.013107 5.466000       37.32246 5.466000       37.32246 0.000000       0.000000 19.98236 9.013107 ?        ?        ?              ?        
1 1 1 -9  43 23 o 26.83489 10.47791 50.83000       39.79576 50.83000       39.79576 0.000000       0.000000 26.83489 10.47791 ?        ?        ?              ?        
1 1 1 -9  43 24 o 26.66177 9.219785 48.00374       29.27449 71.11000       40.01308 21.39000       42.94278 30.56064 10.76480 22.43078 9.921421 8.129858       14.63952 
1 1 1 -9  43 25 o 25.75364 10.57045 46.89000       42.64638 0.000000       0.000000 46.89000       42.64638 ?        ?        25.75364 10.57045 ?              ?        
1 1 1 -9  43 26 o 36.76329 8.646249 87.88631       30.58818 53.87000       41.01838 130.5000       45.91023 26.91377 10.59910 41.57700 11.08084 -14.66324      15.33381 
1 1 1 -9  44 1  o 29.21105 8.716208 54.22802       26.80796 40.71000       42.11271 63.43813       34.76074 25.76834 10.53197 30.46742 10.04777 -4.699083      14.55610 
1 1 1 -9  44 2  o 17.30901 6.978045 11.81915       18.19410 -35.80000      39.94905 24.28109       20.43660 16.85804 8.125957 20.97497 7.655940 -4.116934      11.16443 
1 1 1 -9  44 3  o 38.54140 5.995172 82.45702       21.88197 63.50000       43.36731 88.93180       25.34486 29.67036 11.09411 39.40063 6.818483 -9.730270      13.02194 
1 1 1 -9  44 4  o 20.46398 7.529132 22.66220       19.82648 47.20000       41.35535 15.33929       22.59205 26.81425 10.61672 19.06554 7.743333 7.748709       13.14054 
1 1 1 -9  44 5  o 25.01813 7.246039 37.13992       18.76211 49.65000       42.09828 34.03923       20.95867 27.23535 10.73403 23.84898 7.798683 3.386372       13.26797 
1 1 1 -9  44 6  o 33.40899 6.103485 62.55293       19.22415 37.09000       42.63555 69.05074       21.53780 25.22290 10.48133 34.80941 6.561786 -9.586514      12.36590 
1 1 1 -9  44 7  o 12.70320 5.847183 -8.391955      16.75519 45.67000       41.62303 -18.84642      18.30369 26.53601 10.60365 11.89144 5.669747 14.64457       12.02429 
1 1 1 -9  44 8  o 31.02736 7.041030 56.38633       20.89212 0.000000       0.000000 56.38633       20.89212 ?        ?        31.02736 7.041030 ?              ?        
1 1 1 -9  44 9  o 31.15585 7.047018 56.94248       20.98590 92.00000       42.94014 45.94127       24.05432 35.39400 11.12246 27.13107 8.291672 8.262932       13.87303 
1 1 1 -9  44 10 o 20.01497 7.431759 21.43405       19.39475 -4.762000      40.43567 29.26145       22.10322 19.59071 9.041183 22.38777 7.989516 -2.797058      12.06546 
1 1 1 -9  44 11 f 21.96244 7.420934 28.12304       18.94240 49.83000       41.65163 22.46278       21.26919 27.07204 10.67470 20.49005 7.746209 6.581989       13.18912 
1 1 1 -9  44 12 o 17.37917 7.943224 -5.019037      30.18989 0.000000       0.000000 -5.019037      30.18989 ?        ?        17.37917 7.943224 ?              ?        
1 1 1 -9  44 13 o 30.04457 7.726382 55.02101       22.84892 19.04000       41.48605 70.68775       27.37503 22.42530 9.841530 33.62559 8.354331 -11.20028      12.90932 
1 1 1 -9  44 14 o 35.86215 6.916102 74.67278       23.39763 42.02000       41.26691 90.14278       28.40450 25.73775 10.46082 38.72251 7.764566 -12.98476      13.02756 
1 1 1 -9  44 15 o 20.24128 7.368412 22.50903       18.91222 -1.464000      37.17969 30.87717       21.96640 19.28749 8.815239 22.79541 7.980179 -3.507929      11.89082 
1 1 1 -9  44 16 o 17.41077 7.041635 12.29227       18.59330 43.22000       37.88173 2.476876       21.34075 25.72697 10.16899 16.08552 7.058936 9.641455       12.37889 
1 1 1 -9  44 17 o 17.02895 6.984294 10.82005       18.60082 1.007000       37.38260 14.04908       21.44389 19.47702 8.877870 18.38401 7.514842 1.093014       11.63140 
1 1 1 -9  44 18 o 29.48004 6.804659 51.16547       19.23750 56.42000       39.63513 49.54612       22.00303 27.94954 10.57253 28.31767 7.725366 -0.3681259     13.09426 
1 1 1 -9  44 19 o 24.94512 9.053918 40.38340       28.52503 10.36000       37.91524 79.54000       43.29985 20.54971 9.191295 31.91464 11.20172 -11.36493      14.48994 
1 1 1 -9  44 20 o 15.92806 7.380691 -9.191375      27.35127 -18.53000      36.56468 2.672000       41.21207 17.17123 8.137074 20.08931 9.218781 -2.918076      12.29625 
1 1 1 -9  44 21 o 23.99180 10.03527 35.69000       39.45992 35.69000       39.45992 0.000000       0.000000 23.99180 10.03527 ?        ?        ?              ?        
1 1 1 -9  44 22 o 17.08951 7.739983 -0.2766444     27.85788 -10.95000      37.74080 12.50000       41.29229 17.97014 8.439092 20.96532 9.466206 -2.995173      12.68177 
1 1 1 -9  44 23 o 28.92431 11.03876 67.18000       43.44347 0.000000       0.000000 67.18000       43.44347 ?        ?        28.92431 11.03876 ?              ?        
1 1 1 -9  45 1  o 16.73960 6.947185 9.274165       18.69681 -8.294000      39.20103 14.44732       21.27219 18.91809 8.790179 18.49670 7.513211 0.4213829      11.56355 
1 1 1 -9  45 2  o 21.58937 8.369588 25.54518       25.24957 33.79000       39.30232 19.75065       32.94860 24.24245 10.06769 21.39133 9.070690 2.851120       13.55123 
1 1 1 -9  45 3  o 31.01012 6.638741 55.70457       19.54295 70.78000       41.74105 51.47217       22.11679 30.83405 10.98194 29.03214 7.669533 1.801908       13.39495 
1 1 1 -9  45 4  o 16.71326 6.986013 8.697997       19.10337 60.59000       39.07538 -7.600008      21.89880 29.05281 10.58911 14.66066 6.724813 14.39214       12.54401 
1 1 1 -9  45 5  o 30.63276 7.092968 55.53780       20.84814 58.00000       40.57916 54.65483       24.30049 28.44994 10.71184 29.57369 8.139143 -1.123745      13.45322 
1 1 1 -9  45 6  o 24.35065 7.130294 35.32819       18.07918 33.08000       39.58620 35.92070       20.32239 24.15667 10.07382 24.33125 7.652458 -0.1745777     12.65077 
1 1 1 -9  45 7  o 20.71626 7.202685 24.40340       17.87734 -18.45000      39.10307 35.72749       20.10110 17.94512 8.477214 24.28558 7.606805 -6.340460      11.38976 
1 1 1 -9  45 8  o 15.35097 6.692273 2.419068       18.90530 -24.16000      38.37032 10.93991       21.72535 17.28466 8.232180 17.82630 7.450550 -0.5416317     11.10313 
1 1 1 -9  45 9  o 13.19606 6.012878 -5.956401      17.12951 -39.09000      37.58338 2.731073       19.24458 15.92215 7.724477 15.50648 6.756184 0.4156752      10.26224 
1 1 1 -9  45 10 o 12.42740 5.782517 -10.53907      17.05822 -43.08000      38.15811 -2.411705      19.06982 15.74479 7.671278 14.49076 6.497064 1.254030       10.05288 
1 1 1 -9  45 11 o 18.06133 7.390478 13.32511       20.76628 0.000000       0.000000 13.32511       20.76628 ?        ?        18.06133 7.390478 ?              ?        
1 1 1 -9  45 12 o 14.69204 6.843796 -11.88742      23.99829 -2.788000      38.22581 -17.80694      30.83139 19.14571 8.819569 15.96840 7.538569 3.177305       11.60236 
1 1 1 -9  45 13 o 21.30261 7.943422 26.04518       22.20217 71.74000       39.17172 4.417819       26.94889 30.99231 10.66732 17.73810 7.852012 13.25422       13.24559 
1 1 1 -9  45 14 o 16.51848 7.192240 4.840022       21.77763 20.68000       37.75406 -3.058540      26.66001 21.83205 9.488196 16.55519 7.527083 5.276854       12.11127 
1 1 1 -9  45 15 o 19.23908 7.367139 19.49544       19.39262 15.54000       37.72931 20.91562       22.60755 21.07573 9.311906 19.99192 7.870104 1.083807       12.19222 
1 1 1 -9  45 16 o 31.22938 6.704167 57.53083       19.88063 11.63000       39.41508 73.19316       23.02397 20.73362 9.314786 35.12852 6.942214 -14.39490      11.61721 
1 1 1 -9  45 17 o 21.46725 7.473262 27.66791       19.24886 75.66000       39.41449 12.63645       22.05828 31.28329 10.70254 17.98200 7.510923 13.30128       13.07510 
1 1 1 -9  45 18 o 18.16080 8.002943 7.705698       27.69469 -6.537000      37.10057 25.63000       41.62034 18.22046 8.494726 22.49110 9.864311 -4.270647      13.01787 
1 1 1 -9  45 19 o 22.90185 9.794167 29.83000       38.98994 29.83000       38.98994 0.000000       0.000000 22.90185 9.794167 ?        ?        ?              ?        
1 1 1 -9  45 20 o 16.33167 7.859380 -26.60000      37.01196 -26.60000      37.01196 0.000000       0.000000 16.33167 7.859380 ?        ?        ?              ?        
1 1 1 -9  46 1  o 30.86495 6.722258 55.99113       19.73250 33.98000       39.27548 63.42313       22.82195 23.90605 10.00646 32.36701 7.369269 -8.460966      12.42720 
1 1 1 -9  46 2  o 15.62832 6.691035 5.317775       18.23416 -51.08000      37.30029 23.02736       20.90188 14.92352 7.336023 20.37043 7.683907 -5.446918      10.62354 
1 1 1 -9  46 3  o 22.74071 8.518390 31.39110       25.59146 23.20000       39.43712 37.34929       33.63500 22.34260 9.703841 24.23526 9.581215 -1.892664      13.63687 
1 1 1 -9  46 4  o 46.28559 4.867917 115.2196       21.72465 105.0000       45.02273 118.3212       24.80319 36.68252 11.36799 46.27193 5.589374 -9.589413      12.66777 
1 1 1 -9  46 5  o 24.56738 7.639012 37.40022       20.31099 30.17000       39.37848 40.02096       23.70797 23.28199 9.896097 25.02630 8.299746 -1.744318      12.91582 
1 1 1 -9  46 6  f 26.19458 7.493256 42.40624       20.18199 58.28000       39.73787 36.88852       23.42850 27.96976 10.58486 24.13836 8.251641 3.831396       13.42120 
1 1 1 -9  46 7  o 13.41227 6.166164 -7.383564      18.55539 -14.05000      36.98339 -5.140927      21.45060 17.63322 8.303639 14.73566 6.719901 2.897559       10.68211 
1 1 1 -9  46 8  o 27.20296 7.023054 44.70137       18.82821 33.41000       38.20651 48.32305       21.63809 23.59660 9.872613 27.79130 7.692712 -4.194698      12.51584 
1 1 1 -9  46 9  o 53.23441 4.948763 153.1155       25.49137 0.000000       0.000000 153.1155       25.49137 ?        ?        53.23441 4.948763 ?              ?        
1 1 1 -9  46 10 o 12.97358 6.120124 -14.77083      20.25060 0.000000       0.000000 -14.77083      20.25060 ?        ?        12.97358 6.120124 ?              ?        
1 1 1 -9  46 11 o 26.65648 7.469837 44.29893       20.26704 30.94000       39.56577 49.05101       23.59804 23.12642 9.877585 27.49523 8.171307 -4.368814      12.81940 
1 1 1 -9  46 12 o 47.34203 4.881672 121.3974       22.29754 60.32000       42.70429 144.2900       26.14441 27.67821 10.84034 51.22642 5.290100 -23.54821      12.06226 
1 1 1 -9  46 13 o 18.18601 7.685755 12.75601       23.52403 -2.780000      38.86140 21.74124       29.55379 18.84660 8.755275 20.71160 8.675482 -1.865004      12.32554 
1 1 1 -9  46 14 o 22.70636 8.839476 32.34179       28.25547 0.000000       0.000000 32.34179       28.25547 ?        ?        22.70636 8.839476 ?              ?        
1 1 1 -9  46 15 o 12.38806 6.132857 -47.94748      27.70252 -32.34000      36.43971 -69.32000      42.64188 15.75970 7.636306 14.88294 7.408623 0.8767595      10.63959 
1 1 1 -9  47 1  o 13.86292 6.274150 -3.254659      18.26626 28.96000       37.70860 -13.13135      20.87947 22.49009 9.625306 13.32634 6.264154 9.163750       11.48417 
1 1 1 -9  47 2  o 21.27018 7.390838 27.50372       18.82215 30.94000       37.87471 26.37675       21.69014 22.79356 9.697507 20.99996 7.847157 1.793598       12.47476 
1 1 1 -9  47 3  o 40.81693 5.513278 93.11946       21.46434 38.86000       41.99257 112.3097       24.97323 24.11249 10.23302 44.50846 5.875636 -20.39597      11.79991 
1 1 1 -9  47 4  o 25.26418 8.648051 42.96593       25.73549 27.51000       39.18416 54.69070       34.12833 22.39321 9.699492 27.17600 9.897474 -4.782789      13.85785 
1 1 1 -9  47 5  o 29.25870 7.519934 53.74044       21.65275 13.40000       39.92780 70.54646       25.77136 20.68606 9.327185 33.17235 8.025089 -12.48629      12.30441 
1 1 1 -9  47 6  o 19.19730 7.726566 18.71628       22.26687 -1.234000      38.67301 28.61000       27.23412 18.92690 8.772378 21.80570 8.621234 -2.878798      12.29961 
1 1 1 -9  47 7  o 22.36603 7.416492 31.05623       18.93066 -28.76000      39.56419 48.81691       21.55870 16.67767 8.050866 27.67388 7.685584 -10.99621      11.13035 
1 1 1 -9  47 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  2  o 596.3367 15.77363 17537.08       919.2679 17537.08       919.2679 17537.08       919.2679 596.3367 15.77363 596.3367 15.77363 -0.000000      0.000000 
1 1 1 -8  0  3  f 124.8220 4.252026 765.4755       51.81413 765.4755       51.81413 765.4755       51.81413 124.8220 4.252026 124.8220 4.252026 0.000000       0.000000 
1 1 1 -8  0  4  o 478.8109 12.73141 11280.09       595.7338 11280.09       595.7338 11280.09       595.7338 478.8109 12.73141 478.8109 12.73141 0.000000       0.000000 
1 1 1 -8  0  5  o 241.4943 6.790032 2863.392       160.2167 2863.392       160.2167 2863.392       160.2167 241.4943 6.790032 241.4943 6.790032 -0.000000      0.000000 
1 1 1 -8  0  6  o 472.9872 12.57351 11000.57       581.1895 11000.57       581.1895 11000.57       581.1895 472.9872 12.57351 472.9872 12.57351 -0.000000      0.000000 
1 1 1 -8  0  7  o 38.24032 5.660958 76.14986       19.82700 76.14986       19.82700 76.14986       19.82700 38.24032 5.660958 38.24032 5.660958 0.000000       0.000000 
1 1 1 -8  0  8  o 782.7958 29.41524 30460.00       2246.625 30460.00       2246.625 30460.00       2246.625 782.7958 29.41524 782.7958 29.41524 -0.000000      0.000000 
1 1 1 -8  0  9  o 201.3885 8.398261 1997.000       164.8943 1997.000       164.8943 1997.000       164.8943 201.3885 8.398261 201.3885 8.398261 0.000000       0.000000 
1 1 1 -8  0  10 o 118.0564 6.276506 688.2000       72.05820 688.2000       72.05820 688.2000       72.05820 118.0564 6.276506 118.0564 6.276506 -0.000000      0.000000 
1 1 1 -8  0  11 o 126.9423 6.477094 795.2000       80.00021 795.2000       80.00021 795.2000       80.00021 126.9423 6.477094 126.9423 6.477094 0.000000       0.000000 
1 1 1 -8  0  12 o 75.80081 4.412263 284.1214       32.48113 284.1214       32.48113 284.1214       32.48113 75.80081 4.412263 75.80081 4.412263 0.000000       0.000000 
1 1 1 -8  0  13 o 94.02802 4.375095 435.6144       40.06790 435.6144       40.06790 435.6144       40.06790 94.02802 4.375095 94.02802 4.375095 0.000000       0.000000 
1 1 1 -8  0  14 o 214.0052 6.248222 2248.334       130.6315 2248.334       130.6315 2248.334       130.6315 214.0052 6.248222 214.0052 6.248222 -0.000000      0.000000 
1 1 1 -8  0  15 o 496.9688 18.78762 12200.00       910.9477 12200.00       910.9477 12200.00       910.9477 496.9688 18.78762 496.9688 18.78762 0.000000       0.000000 
1 1 1 -8  0  16 o 75.00498 6.972497 282.6000       50.11622 282.6000       50.11622 282.6000       50.11622 75.00498 6.972497 75.00498 6.972497 0.000000       0.000000 
1 1 1 -8  0  17 o 422.9629 11.33954 8793.706       468.7031 8793.706       468.7031 8793.706       468.7031 422.9629 11.33954 422.9629 11.33954 -0.000000      0.000000 
1 1 1 -8  0  18 o 435.3061 11.65378 9318.811       495.7509 9318.811       495.7509 9318.811       495.7509 435.3061 11.65378 435.3061 11.65378 -0.000000      0.000000 
1 1 1 -8  0  19 o 117.8309 4.692947 683.0721       53.93120 683.0721       53.93120 683.0721       53.93120 117.8309 4.692947 117.8309 4.692947 0.000000       0.000000 
1 1 1 -8  0  20 o 244.4167 6.977062 2934.503       166.6129 2934.503       166.6129 2934.503       166.6129 244.4167 6.977062 244.4167 6.977062 0.000000       0.000000 
1 1 1 -8  0  21 o 85.07130 4.718959 357.6816       39.01641 357.6816       39.01641 357.6816       39.01641 85.07130 4.718959 85.07130 4.718959 -0.000000      0.000000 
1 1 1 -8  0  22 o 318.8980 8.756876 5000.980       272.8765 5000.980       272.8765 5000.980       272.8765 318.8980 8.756876 318.8980 8.756876 -0.000000      0.000000 
1 1 1 -8  0  23 f 237.9982 6.831179 2783.726       158.8420 2783.726       158.8420 2783.726       158.8420 237.9982 6.831179 237.9982 6.831179 0.000000       0.000000 
1 1 1 -8  0  24 o 214.2631 6.311746 2256.195       132.1140 2256.195       132.1140 2256.195       132.1140 214.2631 6.311746 214.2631 6.311746 0.000000       0.000000 
1 1 1 -8  0  25 o 214.7238 6.340518 2266.361       133.0003 2266.361       133.0003 2266.361       133.0003 214.7238 6.340518 214.7238 6.340518 -0.000000      0.000000 
1 1 1 -8  0  26 o 201.2820 8.701982 2001.000       170.7160 2001.000       170.7160 2001.000       170.7160 201.2820 8.701982 201.2820 8.701982 -0.000000      0.000000 
1 1 1 -8  0  27 o 198.4133 6.014295 1935.534       116.5620 1935.534       116.5620 1935.534       116.5620 198.4133 6.014295 198.4133 6.014295 0.000000       0.000000 
1 1 1 -8  0  28 o 215.2937 6.380485 2279.432       134.1920 2279.432       134.1920 2279.432       134.1920 215.2937 6.380485 215.2937 6.380485 0.000000       0.000000 
1 1 1 -8  0  29 o 295.6458 8.243711 4304.551       238.1423 4304.551       238.1423 4304.551       238.1423 295.6458 8.243711 295.6458 8.243711 0.000000       0.000000 
1 1 1 -8  0  30 o 219.5795 6.476422 2372.141       138.9238 2372.141       138.9238 2372.141       138.9238 219.5795 6.476422 219.5795 6.476422 -0.000000      0.000000 
1 1 1 -8  0  31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  32 o 292.6160 8.190217 4222.657       234.1691 4222.657       234.1691 4222.657       234.1691 292.6160 8.190217 292.6160 8.190217 0.000000       0.000000 
1 1 1 -8  0  33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  0  34 o 13.79381 9.585004 -39.94000      45.61728 -39.94000      45.61728 -39.94000      45.61728 13.79381 9.585004 13.79381 9.585004 0.000000       0.000000 
1 1 1 -8  0  35 o 145.5438 7.456724 1052.000       105.5904 1052.000       105.5904 1052.000       105.5904 145.5438 7.456724 145.5438 7.456724 -0.000000      0.000000 
1 1 1 -8  0  36 o 54.94392 6.523037 154.7548       33.78035 154.7548       33.78035 154.7548       33.78035 54.94392 6.523037 54.94392 6.523037 -0.000000      0.000000 
1 1 1 -8  0  37 o 117.8693 4.916801 686.3860       56.50202 686.3860       56.50202 686.3860       56.50202 117.8693 4.916801 117.8693 4.916801 0.000000       0.000000 
1 1 1 -8  0  38 f 100.8642 6.696693 509.0000       65.43688 509.0000       65.43688 509.0000       65.43688 100.8642 6.696693 100.8642 6.696693 0.000000       0.000000 
1 1 1 -8  0  39 o 57.89475 6.483529 171.6622       35.56039 171.6622       35.56039 171.6622       35.56039 57.89475 6.483529 57.89475 6.483529 -0.000000      0.000000 
1 1 1 -8  0  40 o 11.55664 7.965956 -21.65637      29.95241 -21.65637      29.95241 -21.65637      29.95241 11.55664 7.965956 11.55664 7.965956 -0.000000      0.000000 
1 1 1 -8  0  41 o 13.22410 8.779263 -7.209171      30.18208 -7.209171      30.18208 -7.209171      30.18208 13.22410 8.779263 13.22410 8.779263 0.000000       0.000000 
1 1 1 -8  0  42 o 80.46261 5.372292 324.1124       41.87222 324.1124       41.87222 324.1124       41.87222 80.46261 5.372292 80.46261 5.372292 0.000000       0.000000 
1 1 1 -8  0  43 o 58.07732 6.585297 173.7996       36.19576 173.7996       36.19576 173.7996       36.19576 58.07732 6.585297 58.07732 6.585297 0.000000       0.000000 
1 1 1 -8  0  44 o 77.33389 5.446567 300.4387       40.75021 300.4387       40.75021 300.4387       40.75021 77.33389 5.446567 77.33389 5.446567 0.000000       0.000000 
1 1 1 -8  0  45 o 82.10291 5.355175 338.1558       42.61084 338.1558       42.61084 338.1558       42.61084 82.10291 5.355175 82.10291 5.355175 0.000000       0.000000 
1 1 1 -8  0  46 o 83.54472 5.435709 350.9030       44.01345 350.9030       44.01345 350.9030       44.01345 83.54472 5.435709 83.54472 5.435709 0.000000       0.000000 
1 1 1 -8  0  47 o 70.40808 5.994702 252.6951       40.59801 252.6951       40.59801 252.6951       40.59801 70.40808 5.994702 70.40808 5.994702 0.000000       0.000000 
1 1 1 -8  0  48 o 17.74070 10.61500 19.35601       32.80243 19.35601       32.80243 19.35601       32.80243 17.74070 10.61500 17.74070 10.61500 -0.000000      0.000000 
1 1 1 -8  0  49 o 38.78689 10.29382 91.55220       33.76474 91.55220       33.76474 91.55220       33.76474 38.78689 10.29382 38.78689 10.29382 0.000000       0.000000 
1 1 1 -8  0  50 o 21.59294 11.44646 36.80170       32.51682 36.80170       32.51682 36.80170       32.51682 21.59294 11.44646 21.59294 11.44646 0.000000       0.000000 
1 1 1 -8  0  51 o 13.89045 9.690861 -37.55000      47.90698 -37.55000      47.90698 -37.55000      47.90698 13.89045 9.690861 13.89045 9.690861 -0.000000      0.000000 
1 1 1 -8  0  52 o 63.15549 6.522658 207.8591       39.25066 207.8591       39.25066 207.8591       39.25066 63.15549 6.522658 63.15549 6.522658 -0.000000      0.000000 
1 1 1 -8  0  53 o 25.65803 13.56405 55.62000       45.55840 55.62000       45.55840 55.62000       45.55840 25.65803 13.56405 25.65803 13.56405 0.000000       0.000000 
1 1 1 -8  0  54 o 17.13057 10.35348 18.48235       31.83977 18.48235       31.83977 18.48235       31.83977 17.13057 10.35348 17.13057 10.35348 0.000000       0.000000 
1 1 1 -8  0  55 o 15.25738 9.688181 8.344494       31.48407 8.344494       31.48407 8.344494       31.48407 15.25738 9.688181 15.25738 9.688181 -0.000000      0.000000 
1 1 1 -8  0  56 o 26.40421 11.81628 54.66854       32.50663 54.66854       32.50663 54.66854       32.50663 26.40421 11.81628 26.40421 11.81628 -0.000000      0.000000 
1 1 1 -8  0  57 o 27.21434 14.24026 65.63000       49.81683 65.63000       49.81683 65.63000       49.81683 27.21434 14.24026 27.21434 14.24026 -0.000000      0.000000 
1 1 1 -8  0  58 o 37.86108 10.62536 91.02534       34.07946 91.02534       34.07946 91.02534       34.07946 37.86108 10.62536 37.86108 10.62536 -0.000000      0.000000 
1 1 1 -8  0  59 o 15.85026 9.982128 11.31987       32.65350 11.31987       32.65350 11.31987       32.65350 15.85026 9.982128 15.85026 9.982128 -0.000000      0.000000 
1 1 1 -8  0  60 o 21.30783 11.44331 37.72540       32.86903 37.72540       32.86903 37.72540       32.86903 21.30783 11.44331 21.30783 11.44331 0.000000       0.000000 
1 1 1 -8  0  61 o 14.13975 9.272044 1.029497       32.06971 1.029497       32.06971 1.029497       32.06971 14.13975 9.272044 14.13975 9.272044 -0.000000      0.000000 
1 1 1 -8  0  62 o 12.72201 9.016271 -46.88000      46.80968 -46.88000      46.80968 -46.88000      46.80968 12.72201 9.016271 12.72201 9.016271 -0.000000      0.000000 
1 1 1 -8  1  1  o 641.6088 11.95250 20276.30       750.6461 20208.22       1060.082 20344.78       1063.072 638.2485 16.98359 640.4076 16.97396 -2.159119      24.01161 
1 1 1 -8  1  2  o 392.4224 7.427262 7554.913       285.2914 7581.052       405.8427 7529.377       401.1248 392.4763 10.57387 391.1534 10.48620 1.322876       14.89185 
1 1 1 -8  1  3  o 243.1161 5.551619 2896.420       132.1112 3140.000       240.9601 2791.730       157.9708 252.6072 9.763640 238.5117 6.773309 14.09544       11.88303 
1 1 1 -8  1  4  o 477.3178 8.940829 11185.23       417.7262 11059.36       586.3462 11314.97       595.2627 473.7195 12.65657 479.1542 12.70312 -5.434753      17.93204 
1 1 1 -8  1  5  o 81.45441 2.681458 325.1526       21.35007 323.0309       30.17860 327.2785       30.20854 81.13219 3.810789 81.66628 3.789365 -0.5340805     5.374142 
1 1 1 -8  1  6  o 385.0567 7.281530 7268.920       274.4439 7323.319       390.1156 7215.619       386.1593 386.0231 10.33391 383.1765 10.30519 2.846649       14.59406 
1 1 1 -8  1  7  o 204.1957 4.828580 2042.042       96.50997 2008.247       116.9977 2114.000       170.7244 202.3786 5.912519 207.4482 8.425278 -5.069687      10.29287 
1 1 1 -8  1  8  o 119.8973 3.514327 704.3837       41.19921 728.3610       51.09041 659.8000       69.66704 121.8882 4.288931 115.8881 6.163779 6.000031       7.509135 
1 1 1 -8  1  9  o 205.2824 5.985311 2066.010       120.1381 2108.000       171.9896 2026.000       167.8865 207.1793 8.499092 203.1059 8.463298 4.073425       11.99425 
1 1 1 -8  1  10 o 582.8636 15.40985 16733.79       878.3960 16850.00       1248.806 16620.00       1235.775 582.9858 21.92327 579.0149 21.84354 3.970947       30.94785 
1 1 1 -8  1  11 o 272.6150 6.166676 3640.645       164.5535 3789.000       293.0222 3572.308       198.8738 277.6399 10.80294 269.8779 7.535799 7.761932       13.17163 
1 1 1 -8  1  12 o 109.0183 3.571841 582.4784       38.06372 583.6000       66.39694 581.9293       46.45527 108.9672 6.251331 108.9294 4.365803 0.3774261E-01  7.624918 
1 1 1 -8  1  13 o 346.4750 6.622710 5881.865       224.6021 5828.920       315.8602 5936.016       319.4408 344.5888 9.373269 347.7401 9.393498 -3.151276      13.27012 
1 1 1 -8  1  14 o 534.9277 11.53982 14055.07       604.2273 13470.00       1014.967 14376.25       752.0029 521.4524 19.92188 540.3147 14.23131 -18.86230      24.48288 
1 1 1 -8  1  15 o 179.9002 4.514136 1585.868       79.42722 1518.000       133.3507 1623.185       98.88092 175.7922 7.768971 181.9495 5.558596 -6.157303      9.552744 
1 1 1 -8  1  16 o 191.1372 4.709273 1789.228       88.10596 1791.365       108.1099 1785.000       152.0357 191.1306 5.785346 190.6059 8.167917 0.5247803      10.00925 
1 1 1 -8  1  17 o 347.2187 7.679518 5912.495       261.0017 5932.029       320.4543 5874.000       449.8477 347.4849 9.430301 345.1230 13.34149 2.361969       16.33787 
1 1 1 -8  1  18 o 276.5545 6.285717 3749.067       170.1539 3807.092       210.6067 3640.000       288.7444 278.4671 7.734157 271.8613 10.87269 6.605774       13.34288 
1 1 1 -8  1  19 o 359.3459 6.866919 6333.311       241.5354 6328.266       341.4090 6338.367       341.7565 358.6859 9.733211 358.9718 9.735343 -0.2859497     13.76635 
1 1 1 -8  1  20 o 98.75995 3.252815 478.1281       31.40172 465.6197       44.04552 491.0578       44.78110 97.37518 4.634422 100.0089 4.586778 -2.633728      6.520460 
1 1 1 -8  1  21 o 129.6488 3.359724 823.7448       42.60027 859.8112       61.18805 789.8173       59.34593 132.3738 4.729955 126.8601 4.787843 5.513733       6.730224 
1 1 1 -8  1  22 o 289.5185 8.031149 4123.036       227.3738 4058.000       318.0731 4191.000       325.1540 286.5030 11.36460 291.1501 11.43170 -4.647064      16.11949 
1 1 1 -8  1  23 o 215.2370 6.334980 2275.895       133.3201 2241.000       186.9559 2312.000       190.1713 213.1727 8.979976 216.5269 8.992351 -3.354111      12.70836 
1 1 1 -8  1  24 o 138.3810 3.951602 939.1145       53.47010 993.0091       67.33238 847.1000       87.97913 142.2280 4.843582 131.1379 6.878063 11.09015       8.412374 
1 1 1 -8  1  25 f 271.0079 6.205303 3606.674       164.6081 3737.000       292.0138 3545.974       199.2882 274.6929 10.88203 268.3870 7.593652 6.305878       13.26959 
1 1 1 -8  1  26 o 181.6063 3.979428 1616.563       70.73881 1567.972       98.46204 1668.399       101.6959 178.6324 5.638278 184.2689 5.644916 -5.636475      7.978425 
1 1 1 -8  1  27 o 174.9907 4.503765 1502.741       77.07896 1514.000       132.7132 1497.009       94.68567 175.1809 7.758895 174.5340 5.549455 0.6469116      9.539229 
1 1 1 -8  1  28 o 177.9144 4.594001 1553.728       79.93649 1567.424       98.30750 1527.000       137.3276 178.5662 5.631506 175.8521 7.999129 2.714081       9.782634 
1 1 1 -8  1  29 o 309.0320 6.033744 4693.709       182.5142 4690.692       257.9996 4696.732       258.2286 308.1600 8.561652 308.3578 8.563749 -0.1977539     12.10949 
1 1 1 -8  1  30 o 148.8929 3.660376 1086.843       53.34649 1139.069       77.04958 1038.757       73.93350 152.2109 5.179066 145.3428 5.205273 6.868103       7.342860 
1 1 1 -8  1  31 o 177.3859 3.965495 1543.346       68.85297 1494.066       96.17748 1595.154       98.61385 174.2455 5.646502 180.0572 5.602087 -5.811691      7.954016 
1 1 1 -8  1  32 o 165.5320 3.807122 1344.134       61.68578 1342.051       87.27791 1346.213       87.19588 165.1230 5.407250 165.3815 5.393667 -0.2584229     7.637408 
1 1 1 -8  1  33 o 59.88433 4.955101 177.4782       28.78528 197.2418       34.45432 131.8000       52.37993 63.05477 5.641938 50.42012 10.92929 12.63465       12.29963 
1 1 1 -8  1  34 o 85.63503 4.115094 361.0142       34.39256 358.4891       41.21995 366.8000       62.39473 85.22115 4.962918 85.74465 7.509945 -0.5235062     9.001657 
1 1 1 -8  1  35 o 79.76299 3.611101 313.0251       28.12027 266.4655       39.05408 363.1523       40.52269 73.31110 5.482096 85.75296 4.847469 -12.44186      7.317877 
1 1 1 -8  1  36 o 33.27455 9.078844 57.33067       30.38591 0.000000       0.000000 57.33067       30.38591 ?        ?        33.27455 9.078844 ?              ?        
1 1 1 -8  1  37 o 88.95592 3.981305 390.2305       34.57838 395.8000       58.02923 387.1642       43.05750 88.97791 6.712324 88.41347 4.995681 0.5644379      8.367324 
1 1 1 -8  1  38 o 45.68039 5.158535 104.5201       22.66246 97.33115       31.86069 111.8822       32.24182 43.44096 7.778551 46.78380 7.277238 -3.342834      10.65195 
1 1 1 -8  1  39 o 22.09726 8.354843 18.44810       24.74459 15.96824       30.90151 22.88000       41.31055 23.13625 9.171929 26.83305 10.61514 -3.696798      14.02874 
1 1 1 -8  1  40 o 94.06808 3.571618 436.7660       32.82645 424.4334       45.81756 449.7734       47.05435 92.32668 5.089580 95.05490 5.075708 -2.728226      7.187951 
1 1 1 -8  1  41 o 40.13411 6.073127 82.29250       23.11284 89.88410       32.51243 74.53611       32.86338 41.31749 8.327132 37.38314 9.073835 3.934345       12.31567 
1 1 1 -8  1  42 o 59.98238 4.388601 179.3013       25.58821 185.4238       36.63104 173.4669       35.75911 60.44862 6.282474 58.42331 6.355390 2.025311       8.936468 
1 1 1 -8  1  43 f 70.15359 4.002967 244.4594       27.37360 238.7992       39.11883 249.8900       38.31783 68.75787 5.868464 70.44182 5.603451 -1.683945      8.114034 
1 1 1 -8  1  44 o 19.59909 7.744726 12.06893       21.96731 36.17178       30.95759 -12.37603      31.17651 27.22338 9.477424 18.32845 8.254989 8.894936       12.56847 
1 1 1 -8  1  45 o 54.09725 4.801933 147.1914       25.16324 123.7298       34.83675 172.7864       36.38620 48.58645 7.571857 58.02459 6.519100 -9.438141      9.991581 
1 1 1 -8  1  46 o 110.0218 3.585492 600.7318       38.56144 552.5349       52.92352 655.2772       56.30130 104.7255 5.178923 114.1451 5.051636 -9.419609      7.234657 
1 1 1 -8  1  47 o 42.77708 6.071463 94.94749       24.70877 96.00529       34.72382 93.86250       35.16736 41.83863 8.760324 41.26198 8.964211 0.5766525      12.53397 
1 1 1 -8  1  48 o 32.17331 7.669327 56.47277       23.80956 37.04435       33.12242 77.24586       34.24948 27.08860 9.766623 36.96832 9.434729 -9.879715      13.57943 
1 1 1 -8  1  49 o 52.90874 4.959964 142.7856       25.38744 101.8296       34.98740 188.3296       36.89504 42.85579 8.639256 60.08253 6.370507 -17.22674      10.73406 
1 1 1 -8  1  50 o 46.67549 6.555056 115.1207       29.12406 102.1928       34.57529 146.7000       54.03846 42.87428 8.538911 49.47964 11.39317 -6.605370      14.23788 
1 1 1 -8  1  51 o 50.51649 5.250426 131.4191       25.58347 130.5323       35.57391 132.3691       36.81918 49.03953 7.661513 49.23781 7.907189 -0.1982841     11.01011 
1 1 1 -8  1  52 f 40.13647 9.139701 92.38524       35.10009 0.000000       0.000000 92.38524       35.10009 ?        ?        40.13647 9.139701 ?              ?        
1 1 1 -8  1  53 o 73.02925 4.103973 269.4162       29.21842 257.1345       41.48331 281.5076       41.16075 70.03290 6.112730 73.56364 5.762239 -3.530739      8.400527 
1 1 1 -8  1  54 o 23.81415 8.627114 29.25869       25.88289 34.08430       32.14999 20.37000       43.63383 25.61196 9.557067 24.80485 10.47446 0.8071079      14.17927 
1 1 1 -8  1  55 o 48.18297 5.292256 121.1224       24.54941 155.6689       34.89793 87.27895       34.54102 53.67999 6.793632 38.41785 9.288590 15.26214       11.50788 
1 1 1 -8  1  56 o 28.28697 8.865518 46.25576       27.29962 39.26000       49.44760 49.32303       32.74186 28.13880 11.44560 29.02135 9.756360 -0.8825531     15.03956 
1 1 1 -8  1  57 o 20.33358 8.184130 15.43524       24.98299 5.372000       41.42382 21.18819       31.32034 22.20994 9.787433 22.71836 9.156663 -0.5084209     13.40292 
1 1 1 -8  1  58 f 22.64131 8.158213 26.54659       23.10704 16.06083       32.52611 37.23091       32.83262 21.98138 9.146235 26.12907 9.675506 -4.147686      13.31424 
1 1 1 -8  1  59 o 34.06465 7.371085 65.34084       23.86277 85.77341       33.97780 45.45405       33.52094 37.84774 9.250953 27.88280 9.850132 9.964931       13.51315 
1 1 1 -8  1  60 o 37.14888 6.781491 76.05967       23.75075 80.72497       33.28675 71.22120       33.89887 36.61502 9.277878 34.07454 9.699691 2.540478       13.42248 
1 1 1 -8  1  61 o 15.37730 7.176051 -17.26196      26.57808 -17.63967      32.10921 -16.44000      47.36681 17.01378 7.922276 20.73086 9.642643 -3.717075      12.47970 
1 1 1 -8  1  62 o 15.99176 7.216304 -5.492308      23.95534 43.76702       33.15863 -59.27071      34.64625 26.97761 9.765846 14.21477 7.003690 12.76284       12.01763 
1 1 1 -8  2  1  o 326.7788 6.256436 5234.833       200.1185 5210.656       283.0639 5258.991       282.9566 325.6292 8.889172 327.1438 8.844505 -1.514587      12.53964 
1 1 1 -8  2  2  o 653.5690 12.17143 21033.37       778.6448 20992.05       1101.688 21074.61       1100.653 650.6838 17.31284 651.9875 17.26184 -1.303711      24.44802 
1 1 1 -8  2  3  o 135.8120 3.131828 903.0681       41.63342 918.2908       59.40317 888.3716       58.36758 136.8532 4.440416 134.6032 4.436125 2.250015       6.276663 
1 1 1 -8  2  4  o 711.2615 13.21940 24919.48       920.3379 25638.76       1328.406 24255.55       1276.268 718.8062 18.89686 699.2524 18.66338 19.55377       26.55961 
1 1 1 -8  2  5  o 129.1502 3.550425 817.2972       44.84039 802.8687       54.50871 847.5000       78.86384 127.9654 4.358140 131.3648 6.150352 -3.399384      7.537918 
1 1 1 -8  2  6  o 288.7580 6.457613 4086.043       182.5208 4203.100       227.7709 3876.000       305.1083 292.6599 7.958519 280.6653 11.12809 11.99457       13.68110 
1 1 1 -8  2  7  o 490.5313 10.60231 11813.53       509.0655 11830.41       624.1694 11780.00       879.7737 490.3201 13.01670 487.9393 18.45365 2.380737       22.58255 
1 1 1 -8  2  8  o 330.8047 7.308747 5363.147       236.6578 5317.335       288.1958 5458.000       414.6919 329.1541 8.953353 333.0075 12.74582 -3.853424      15.57621 
1 1 1 -8  2  9  o 344.2921 7.585445 5809.538       255.6315 5818.879       313.4859 5791.000       441.6349 344.3213 9.309934 343.0063 13.17843 1.314972       16.13524 
1 1 1 -8  2  10 o 681.2878 14.62205 22833.47       975.0905 23290.00       1713.008 22614.63       1185.981 683.9805 25.63177 676.9144 17.91512 7.066040       31.27202 
1 1 1 -8  2  11 o 83.51147 3.483170 342.0202       28.41008 341.7000       49.92525 342.1736       34.54948 83.29110 6.167479 83.48923 4.241605 -0.1981354     7.485253 
1 1 1 -8  2  12 f 131.5935 4.600854 848.9988       59.17122 0.000000       0.000000 848.9988       59.17122 ?        ?        131.5935 4.600854 ?              ?        
1 1 1 -8  2  13 o 227.2559 6.523709 2532.484       144.9660 0.000000       0.000000 2532.484       144.9660 ?        ?        227.2559 6.523709 ?              ?        
1 1 1 -8  2  14 o 361.3752 7.950572 6402.439       281.2309 6400.000       486.4854 6403.664       344.6562 360.4167 13.81540 361.1207 9.759459 -0.7040710     16.91486 
1 1 1 -8  2  15 o 159.3312 3.638256 1242.927       56.74143 1286.704       81.60192 1201.946       78.95265 161.9997 5.152674 156.5673 5.158851 5.432419       7.291350 
1 1 1 -8  2  16 o 196.7392 4.164185 1895.375       80.19125 1882.662       112.9070 1908.316       113.9148 195.9362 5.893779 197.2670 5.906209 -1.330780      8.343857 
1 1 1 -8  2  17 o 246.9653 5.716302 2988.486       138.1839 3019.393       170.3398 2929.000       236.3190 248.0672 7.022275 244.0124 9.914845 4.054794       12.14975 
1 1 1 -8  2  18 o 25.02946 8.126733 29.66201       22.77974 38.67256       27.81290 11.30000       39.70368 28.30946 8.958770 25.11833 10.24144 3.191132       13.60686 
1 1 1 -8  2  19 o 304.3633 6.830888 4543.571       203.5053 4499.559       247.6901 4635.000       356.9978 302.6077 8.370275 306.5087 11.92190 -3.901031      14.56685 
1 1 1 -8  2  20 o 86.37139 3.326231 365.8560       28.06829 380.5728       39.72830 351.1891       39.66091 88.01160 4.627887 84.52177 4.813791 3.489822       6.677568 
1 1 1 -8  2  21 o 453.5251 8.551953 10110.55       379.6408 10026.76       533.7109 10196.37       540.1331 450.4971 12.11441 454.2786 12.15802 -3.781555      17.16323 
1 1 1 -8  2  22 o 184.6284 3.998887 1670.098       72.26765 1703.364       103.1831 1638.067       101.2482 186.2715 5.665795 182.6626 5.669668 3.608932       8.015383 
1 1 1 -8  2  23 o 181.2092 4.561391 1610.554       80.84224 1595.206       98.61722 1642.000       141.1573 180.2446 5.596426 182.5772 7.917429 -2.332596      9.695652 
1 1 1 -8  2  24 o 231.0666 5.439508 2619.267       123.0277 2578.000       211.5849 2640.345       151.2184 228.4966 9.480763 231.7611 6.672833 -3.264542      11.59360 
1 1 1 -8  2  25 o 241.6005 4.876005 2862.770       115.3103 2820.223       161.5305 2906.982       164.6614 239.4482 6.899056 243.1014 6.926935 -3.653244      9.776472 
1 1 1 -8  2  26 o 151.5881 3.609505 1126.027       53.55733 1064.913       73.97906 1193.332       77.63623 147.2336 5.141178 155.8736 5.095300 -8.639969      7.238355 
1 1 1 -8  2  27 o 195.7218 4.193229 1878.161       80.33300 1854.340       112.9158 1902.576       114.3132 194.2109 5.946846 196.7235 5.943361 -2.512573      8.407647 
1 1 1 -8  2  28 f 322.6876 7.230420 5125.072       228.3768 5015.000       389.0711 5182.932       282.0854 317.1682 12.55718 323.9126 8.905511 -6.744385      15.39451 
1 1 1 -8  2  29 o 226.1770 5.404818 2512.204       119.6563 2490.572       145.7101 2557.000       209.6848 224.9126 6.625875 227.2002 9.449331 -2.287582      11.54089 
1 1 1 -8  2  30 o 139.4534 3.566537 953.9599       48.64357 1018.824       70.81161 896.0007       66.93661 143.9592 5.033007 134.9868 5.075051 8.972427       7.147538 
1 1 1 -8  2  31 o 72.08966 3.678357 255.4868       25.86992 224.2148       36.63078 286.6049       36.54057 67.30630 5.611119 76.23830 4.922932 -8.931992      7.464578 
1 1 1 -8  2  32 f 97.77013 3.953282 469.7666       37.75493 477.7645       45.88448 453.0000       66.43562 98.50812 4.772895 95.55460 7.154974 2.953514       8.600825 
1 1 1 -8  2  33 o 119.0233 3.991091 696.1263       46.43174 683.5001       56.06351 723.7000       82.84959 117.8214 4.871783 120.8569 7.033856 -3.035561      8.556250 
1 1 1 -8  2  34 o 201.4575 4.317463 1994.261       85.13700 1968.272       119.5739 2020.984       121.2474 199.6452 6.126118 202.3021 6.130094 -2.656906      8.666451 
1 1 1 -8  2  35 o 85.72753 4.685869 362.7463       39.17077 346.8000       55.21775 378.9000       55.57566 83.41846 6.822081 87.27582 6.553421 -3.857361      9.459816 
1 1 1 -8  2  36 o 77.58942 4.086349 296.9361       30.92505 257.6000       50.11148 321.1318       39.30160 71.63243 7.246517 80.54454 5.009834 -8.912109      8.809679 
1 1 1 -8  2  37 o 54.09179 5.287961 145.9719       27.64072 167.1000       52.55756 137.8940       32.49792 56.72530 9.821186 52.30511 6.486449 4.420197       11.76986 
1 1 1 -8  2  38 o 52.11179 5.808138 136.3792       29.12344 61.99000       53.67525 167.4169       34.67076 35.83363 12.47913 57.69845 6.238004 -21.86482      13.95139 
1 1 1 -8  2  39 o 10.41357 5.172553 -49.23259      20.33811 -55.43184      28.52343 -42.82111      29.00754 13.21379 6.479229 14.40958 6.940340 -1.195785      9.494668 
1 1 1 -8  2  40 o 85.68470 4.132795 363.5860       34.55977 364.9812       42.88071 361.0000       58.37983 85.57574 5.142968 84.41194 7.132341 1.163795       8.793202 
1 1 1 -8  2  41 o 77.81405 4.320791 300.6509       32.78075 318.4388       40.96941 269.0000       54.65009 79.81441 5.273669 72.40250 7.836103 7.411911       9.445428 
1 1 1 -8  2  42 o 16.64326 7.222146 -2.072649      21.80537 18.76928       31.19158 -21.99424      30.49513 23.56515 9.254099 16.97732 7.840966 6.587831       12.12927 
1 1 1 -8  2  43 o 19.91692 7.801610 13.04540       22.12086 8.599618       31.58554 17.32517       30.99019 21.70759 9.021059 23.17703 9.186044 -1.469444      12.87489 
1 1 1 -8  2  44 o 65.56631 4.217989 214.2738       26.92666 237.6302       38.23503 191.2923       37.92693 68.54519 5.751729 61.19971 6.427078 7.345482       8.624947 
1 1 1 -8  2  45 o 17.93064 7.511292 4.399085       22.15718 18.96554       30.71750 -11.40049      31.99128 23.29836 9.173130 18.66934 8.389252 4.629013       12.43084 
1 1 1 -8  2  46 o 70.75588 4.042721 249.8684       27.88247 268.3891       39.48464 231.4466       39.37912 72.70997 5.590790 67.28691 6.043314 5.423058       8.232774 
1 1 1 -8  2  47 f 76.94699 3.943819 295.7495       29.60490 241.9272       40.29535 358.8765       43.63964 68.62278 6.061272 84.10046 5.328629 -15.47768      8.070520 
1 1 1 -8  2  48 o 45.41480 5.766606 106.7560       25.05726 95.53040       34.96979 118.6013       35.92204 41.46022 8.884231 46.73015 8.149579 -5.269936      12.05592 
1 1 1 -8  2  49 o 45.28829 6.609206 108.2662       28.43512 96.42522       34.55548 133.1000       50.04325 41.60038 8.763339 47.57580 10.97038 -5.975426      14.04085 
1 1 1 -8  2  50 o 58.86318 4.561038 175.7559       26.07440 190.7325       36.91138 160.8386       36.83827 60.37881 6.339996 55.01735 6.998782 5.361462       9.443437 
1 1 1 -8  2  51 o 30.56109 8.883012 52.85298       28.15134 26.29000       49.18812 65.79180       34.32964 27.02638 11.24663 33.66195 9.816695 -6.635571      14.92830 
1 1 1 -8  2  52 o 24.22109 8.211143 31.04683       23.19222 9.977589       31.82698 54.90126       33.86535 21.19853 8.948384 30.82389 9.900266 -9.625359      13.34499 
1 1 1 -8  2  53 o 49.79530 6.290618 131.3028       29.97813 184.9000       54.92533 108.5621       35.77698 55.91840 10.41809 43.78804 8.654150 12.13036       13.54366 
1 1 1 -8  2  54 o 31.92282 7.700866 57.41906       23.78321 35.08272       33.30979 80.64822       33.96899 25.93295 9.717545 36.93762 9.379468 -11.00466      13.50574 
1 1 1 -8  2  55 o 46.31663 6.391754 115.0983       28.20596 136.3655       35.19262 76.90000       47.16477 49.72995 7.459653 34.60474 11.70974 15.12521       13.88396 
1 1 1 -8  2  56 o 54.40642 5.525675 154.9804       29.01894 159.3830       36.39799 147.3000       48.07439 54.13150 7.035747 49.34689 10.28673 4.784611       12.46269 
1 1 1 -8  2  57 o 17.75513 7.503694 6.117205       22.42294 4.492421       31.56872 7.771575       31.85485 19.92736 8.668147 20.50089 8.811613 -0.5735321     12.36047 
1 1 1 -8  2  58 o 32.96181 8.524782 63.41494       27.70821 45.00000       45.05833 74.61326       35.13713 28.48959 11.14187 34.95197 9.850181 -6.462372      14.87169 
1 1 1 -8  2  59 o 28.89706 8.075788 48.28482       23.72271 75.50691       34.15453 22.91123       32.97453 35.18712 9.635468 23.19464 9.378677 11.99248       13.44626 
1 1 1 -8  2  60 o 24.56894 8.831682 33.00700       27.06073 50.13838       32.59818 -4.967000      48.53337 28.90168 9.735030 22.21823 10.12284 6.683447       14.04431 
1 1 1 -8  2  61 o 37.98577 6.989900 80.55388       25.03212 64.72902       35.00733 97.11067       35.80775 32.05551 10.03829 39.97692 9.322946 -7.921410      13.69980 
1 1 1 -8  2  62 f 36.06963 8.064786 76.39461       27.75788 64.10000       47.21907 82.88679       34.31272 30.92486 11.57364 36.42463 9.519715 -5.499765      14.98579 
1 1 1 -8  3  1  o 477.8267 8.948830 11208.85       418.5457 11404.58       599.2936 11022.47       584.7984 481.0532 12.73863 472.9445 12.64386 8.108643       17.94825 
1 1 1 -8  3  2  o 331.3559 7.325786 5384.523       237.6048 6312.000       459.5931 5046.204       277.5783 357.7191 13.14815 320.5061 8.856447 37.21301       15.85278 
1 1 1 -8  3  3  o 235.9165 4.685678 2726.076       108.2024 2739.586       153.5033 2712.734       152.5439 236.3128 6.642862 235.1517 6.633990 1.161133       9.388154 
1 1 1 -8  3  4  o 456.7997 9.899094 10246.38       442.6163 10461.12       550.0727 9852.000       745.4606 461.0060 12.20082 446.1388 17.10226 14.86728       21.00827 
1 1 1 -8  3  5  f 162.3833 4.074489 1291.987       64.71092 1309.874       79.94547 1258.000       110.2016 163.4569 5.002600 160.0459 7.051872 3.410980       8.646092 
1 1 1 -8  3  6  o 256.5409 5.821881 3224.149       146.1929 3261.373       180.4271 3153.000       249.4459 257.8543 7.155519 253.2479 10.08308 4.606445       12.36406 
1 1 1 -8  3  7  o 282.8094 6.343927 3918.567       175.6136 4004.359       218.2477 3761.000       295.7723 285.7036 7.811518 276.5591 10.94769 9.144562       13.44885 
1 1 1 -8  3  8  o 308.8575 5.947806 4672.800       179.8130 4771.748       257.8927 4579.189       250.8420 311.8555 8.456301 305.4992 8.396456 6.356323       11.91677 
1 1 1 -8  3  9  o 268.5374 5.259758 3531.652       138.2537 3523.120       195.1722 3540.245       195.8703 268.0194 7.446748 268.6698 7.455271 -0.6504517     10.53732 
1 1 1 -8  3  10 o 335.2645 6.411956 5506.621       210.4187 5483.538       296.7999 5529.947       298.3602 334.2709 9.079488 335.6826 9.088782 -1.411621      12.84691 
1 1 1 -8  3  11 o 363.1147 9.791225 6473.053       347.6887 0.000000       0.000000 6473.053       347.6887 ?        ?        363.1147 9.791225 ?              ?        
1 1 1 -8  3  12 o 498.3207 13.22992 12216.29       644.7452 0.000000       0.000000 12216.29       644.7452 ?        ?        498.3207 13.22992 ?              ?        
1 1 1 -8  3  13 o 527.9604 14.00334 13722.54       723.0289 0.000000       0.000000 13722.54       723.0289 ?        ?        527.9604 14.00334 ?              ?        
1 1 1 -8  3  14 o 311.5362 6.957022 4756.421       212.1476 4726.000       366.4219 4771.760       260.1926 309.8812 12.10364 311.8160 8.532943 -1.934814      14.80909 
1 1 1 -8  3  15 o 233.9432 4.730804 2680.318       108.3307 2667.324       152.6606 2693.499       153.7507 233.2019 6.694813 234.3432 6.709744 -1.141235      9.478459 
1 1 1 -8  3  16 o 172.8529 3.827186 1462.970       64.75337 1473.604       91.78242 1452.431       91.36917 173.3545 5.415659 172.1024 5.430634 1.252090       7.669495 
1 1 1 -8  3  17 o 260.0306 5.166380 3312.465       131.4973 3266.581       184.1326 3360.223       187.8539 257.9948 7.298779 261.6653 7.341713 -3.670441      10.35244 
1 1 1 -8  3  18 o 229.8671 5.404931 2589.189       121.6111 2557.379       147.7519 2656.000       214.1300 228.2852 6.619237 232.3325 9.435517 -4.047318      11.52577 
1 1 1 -8  3  19 f 118.3523 3.805583 686.7159       44.02906 682.4742       53.71613 695.4000       76.85997 117.9349 4.662434 118.8928 6.630744 -0.9578934     8.105865 
1 1 1 -8  3  20 o 126.3524 3.848565 782.6948       47.54250 785.0483       58.25279 778.0000       82.27445 126.4881 4.713258 125.7513 6.708428 0.7367706      8.198647 
1 1 1 -8  3  21 o 82.87674 3.302935 336.9149       26.74042 354.9885       37.82116 318.8499       37.81216 84.99026 4.563044 80.51418 4.819985 4.476074       6.637290 
1 1 1 -8  3  22 o 237.5581 6.801000 2773.004       157.9798 2700.000       219.1392 2852.000       227.9559 233.9456 9.590046 240.4281 9.706285 -6.482544      13.64481 
1 1 1 -8  3  23 o 211.8071 5.091756 2199.884       105.5636 2092.000       178.1059 2258.307       131.0662 205.9576 8.855438 214.4054 6.251912 -8.447815      10.83998 
1 1 1 -8  3  24 o 235.3472 4.771909 2715.835       109.9278 2667.013       153.8963 2766.695       157.0752 232.9077 6.757681 237.2216 6.771605 -4.313950      9.566655 
1 1 1 -8  3  25 o 215.0996 4.456383 2268.455       93.82712 2227.616       131.2314 2311.164       134.2016 212.8724 6.305085 216.8273 6.329988 -3.954849      8.934363 
1 1 1 -8  3  26 o 164.2184 3.742894 1321.625       60.16382 1277.406       83.69688 1368.903       86.54350 161.2506 5.309998 166.9325 5.303208 -5.681885      7.504671 
1 1 1 -8  3  27 o 266.0383 5.293934 3473.914       137.8570 3404.040       192.5280 3547.432       197.4849 262.8649 7.490283 268.3402 7.526122 -5.475311      10.61823 
1 1 1 -8  3  28 o 253.7015 5.105882 3159.095       126.7944 3063.713       176.3738 3261.115       182.4070 249.3814 7.233072 257.2926 7.250054 -7.911194      10.24112 
1 1 1 -8  3  29 o 342.7794 7.643928 5790.327       256.4705 5763.000       441.8888 5804.208       314.9449 339.3519 13.32914 342.4609 9.404349 -3.109070      16.31281 
1 1 1 -8  3  30 o 156.2966 4.325209 1199.428       66.10662 1206.086       80.85157 1186.000       114.8193 156.6067 5.281944 154.9000 7.595975 1.706665       9.251906 
1 1 1 -8  3  31 o 153.3700 4.280547 1155.119       64.19792 1152.152       78.74277 1161.000       110.8662 153.0404 5.264358 153.2455 7.413023 -0.2050323     9.092105 
1 1 1 -8  3  32 o 184.5492 4.720754 1674.011       85.20657 1634.579       102.9049 1760.000       151.9621 182.1672 5.778426 188.4135 8.259874 -6.246384      10.08046 
1 1 1 -8  3  33 o 116.6658 3.419755 668.1621       39.00998 660.9656       55.04414 675.4240       55.29359 115.8553 4.864703 117.1223 4.833515 -1.267021      6.857711 
1 1 1 -8  3  34 o 164.7050 5.337618 1337.381       85.93829 1353.000       122.0043 1322.000       121.0713 165.0620 7.571464 163.1466 7.602435 1.915436       10.72959 
1 1 1 -8  3  35 o 175.6983 4.563575 1519.963       78.41715 1499.000       133.0501 1531.120       97.06828 173.4607 7.856641 176.0638 5.639773 -2.603134      9.671289 
1 1 1 -8  3  36 o 135.9670 3.571364 908.9757       47.48950 900.9965       66.86491 917.0974       67.45963 135.0532 5.067083 136.2563 5.066854 -1.203064      7.165776 
1 1 1 -8  3  37 o 104.3103 3.389947 535.3140       34.56601 550.6523       49.35159 520.5438       48.42892 105.5230 4.790512 102.5813 4.836768 2.941742       6.807593 
1 1 1 -8  3  38 o 120.1012 4.061130 711.7119       47.67328 741.3000       86.12841 698.6426       57.24183 121.5029 7.275236 118.7629 4.934849 2.740051       8.791006 
1 1 1 -8  3  39 o 67.98483 4.763965 229.8127       31.50135 202.4000       57.12904 241.7889       37.76071 62.25125 9.690972 69.53946 5.594748 -7.288212      11.19000 
1 1 1 -8  3  40 o 59.49947 4.337092 176.0079       25.08564 170.1616       35.26484 181.9967       35.69192 57.99363 6.314178 60.04335 6.160197 -2.049721      8.821387 
1 1 1 -8  3  41 o 88.02308 4.164676 384.1325       35.78085 388.4186       44.50670 376.3000       60.16558 88.20730 5.177602 86.02859 7.211246 2.178703       8.877480 
1 1 1 -8  3  42 o 73.31667 4.480698 267.6620       32.00189 264.4825       39.42839 273.8000       54.78370 72.53268 5.596789 72.92413 7.795710 -0.3914566     9.596725 
1 1 1 -8  3  43 o 101.0085 3.605584 504.7757       35.59118 485.4722       49.87022 524.8136       50.81000 98.48735 5.191479 102.4568 5.082296 -3.969437      7.265067 
1 1 1 -8  3  44 o 98.06741 3.582803 476.2465       34.33391 451.6861       47.85195 502.3063       49.29099 94.90199 5.170850 100.1500 5.044419 -5.247978      7.223839 
1 1 1 -8  3  45 o 37.12662 6.662275 72.01705       23.32148 90.13295       33.00528 53.95316       32.95787 40.94905 8.512469 31.65357 9.711713 9.295473       12.91431 
1 1 1 -8  3  46 o 21.89062 8.031895 21.22835       22.53771 -3.774818      31.65527 46.93189       32.09556 19.51031 8.578366 29.67279 9.647264 -10.16248      12.90961 
1 1 1 -8  3  47 o 24.71444 8.183147 31.52246       23.04908 12.54318       32.38731 50.99969       32.80943 22.19759 9.171546 30.51601 9.738889 -8.318419      13.37771 
1 1 1 -8  3  48 o 64.36777 4.994631 210.5180       31.22257 210.4774       38.18589 210.6000       54.23222 63.74031 6.198633 61.77615 9.253160 1.964157       11.13751 
1 1 1 -8  3  49 o 52.72992 4.885896 141.7186       24.93105 128.2798       36.14414 153.9156       34.43367 48.66914 7.854485 54.09743 6.642032 -5.428288      10.28638 
1 1 1 -8  3  50 o 51.72793 5.649859 138.5674       28.14219 68.52000       46.44691 179.1994       35.37492 34.07352 11.61909 58.53970 6.271224 -24.46618      13.20347 
1 1 1 -8  3  51 o 23.16867 8.134143 27.16899       22.83284 48.65742       31.62777 3.780099       32.99675 29.40209 9.577941 20.58387 8.908315 8.818224       13.08033 
1 1 1 -8  3  52 o 44.94779 5.706410 105.6073       24.54090 110.7865       33.81709 99.84539       35.66906 44.75739 8.013346 41.84108 8.978153 2.916306       12.03416 
1 1 1 -8  3  53 o 21.28004 8.004276 20.69534       22.64546 5.789979       31.36404 36.92800       32.73071 20.31596 8.737946 26.45295 9.683563 -6.136990      13.04312 
1 1 1 -8  3  54 o 45.55372 8.417704 117.6670       36.15163 46.52000       52.72364 180.8000       49.66555 29.61185 11.89944 55.78857 9.430791 -26.17671      15.18343 
1 1 1 -8  3  55 o 50.51945 6.297023 136.3306       30.46453 142.0000       54.33838 133.7317       36.79041 46.89559 11.83824 48.86642 7.965767 -1.970833      14.26875 
1 1 1 -8  3  56 f 34.94187 8.000652 69.56165       26.77284 75.43642       33.59087 59.33000       44.33005 35.49243 9.486860 31.18557 11.29137 4.306862       14.74773 
1 1 1 -8  3  57 o 25.58508 8.695123 36.65628       26.00830 71.58969       32.39722 -26.67000      43.61935 34.57421 9.349945 19.30820 9.069071 15.26601       13.02573 
1 1 1 -8  3  58 o 36.40270 7.071289 73.43236       24.28809 93.08861       34.57766 54.28859       34.12392 39.69756 9.094340 30.03477 9.957311 9.662792       13.48536 
1 1 1 -8  3  59 o 39.35443 7.905363 88.18948       29.39415 95.12449       34.93232 71.37000       54.40141 40.00589 9.123539 32.92793 12.40168 7.077961       15.39613 
1 1 1 -8  3  60 o 32.72048 7.710204 61.31115       24.28625 40.98726       33.33252 84.30937       35.45780 26.78772 9.777527 37.09328 9.668797 -10.30556      13.75084 
1 1 1 -8  3  61 o 36.33100 7.996593 76.58592       27.66507 115.7000       47.83308 56.92529       33.91256 41.63039 11.40403 30.23604 9.922096 11.39435       15.11621 
1 1 1 -8  3  62 o 25.59776 8.255664 38.39013       23.53219 20.16302       33.30145 56.56936       33.25768 22.35859 9.274737 29.95339 9.825635 -7.594805      13.51162 
1 1 1 -8  4  1  o 363.2597 9.791890 6484.043       347.8514 7143.000       525.7518 5971.000       463.9049 380.4765 14.14175 347.9192 13.64859 32.55731       19.65383 
1 1 1 -8  4  2  o 293.7415 5.676992 4227.419       163.2262 4269.227       232.8137 4187.002       228.9091 294.9182 8.072526 292.0684 8.014625 2.849854       11.37541 
1 1 1 -8  4  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  4  o 408.6429 10.93902 8208.261       437.1574 8849.000       651.6694 7684.000       589.4677 423.3321 15.75427 394.5451 15.29257 28.78705       21.95585 
1 1 1 -8  4  5  o 365.2717 8.008028 6541.901       286.3174 6691.721       356.3459 6269.000       480.9397 369.1244 9.871493 356.6666 13.80201 12.45776       16.96885 
1 1 1 -8  4  6  o 313.6402 6.956722 4820.572       213.5712 4860.251       263.1523 4744.000       365.5597 314.7097 8.550539 310.5093 12.05044 4.200409       14.77582 
1 1 1 -8  4  7  o 233.1772 4.661903 2662.485       106.4034 2687.872       151.4251 2637.725       149.5468 234.1279 6.614146 231.9332 6.594000 2.194748       9.339581 
1 1 1 -8  4  8  o 741.9409 13.75457 27065.66       998.9011 27465.67       1427.708 26682.08       1398.077 745.3932 19.58502 734.7238 19.45733 10.66949       27.60726 
1 1 1 -8  4  9  o 288.5156 5.600532 4077.037       158.1630 4080.905       223.8166 4073.179       223.5361 288.4335 7.935112 288.1604 7.932693 0.2731628      11.22023 
1 1 1 -8  4  10 o 227.8685 5.292793 2542.986       118.0526 2413.000       196.8678 2615.971       147.5179 221.6342 9.094003 230.9819 6.531259 -9.347610      11.19635 
1 1 1 -8  4  11 o 479.2832 10.36723 11272.99       486.3635 11340.00       845.3918 11239.84       594.6240 479.0549 18.06113 478.0841 12.71797 0.9708252      22.08962 
1 1 1 -8  4  12 o 193.2415 5.755903 1830.781       108.7516 0.000000       0.000000 1830.781       108.7516 ?        ?        193.2415 5.755903 ?              ?        
1 1 1 -8  4  13 o 105.9667 3.637913 550.4045       37.67761 603.7000       68.56322 527.3472       45.09732 110.8221 6.347150 103.6796 4.454154 7.142471       7.754082 
1 1 1 -8  4  14 o 124.9281 3.798888 764.8519       46.40001 734.1000       80.26386 780.2874       56.86480 122.2084 6.735903 126.1441 4.613203 -3.935692      8.164191 
1 1 1 -8  4  15 o 163.9350 4.304708 1316.939       69.01536 1283.000       119.3510 1333.988       84.59258 161.5924 7.566701 164.9436 5.246181 -3.351151      9.207464 
1 1 1 -8  4  16 o 279.7547 6.354491 3835.533       174.0061 3906.000       305.6690 3801.750       211.6462 281.7011 11.10731 278.3174 7.776603 3.383759       13.55905 
1 1 1 -8  4  17 o 81.39799 3.380318 324.9697       26.87394 316.0012       37.18596 334.7747       38.88170 80.17785 4.759673 82.52782 4.834424 -2.349976      6.784256 
1 1 1 -8  4  18 o 235.3285 4.764087 2713.052       109.7389 2647.000       152.7440 2783.518       157.7662 232.2345 6.726496 238.1480 6.774894 -5.913483      9.546986 
1 1 1 -8  4  19 o 129.7971 3.875880 825.8770       49.18751 808.1586       59.50572 864.1000       87.39973 128.3432 4.744910 132.5544 6.758426 -4.211197      8.257753 
1 1 1 -8  4  20 o 181.1819 4.557649 1609.486       80.76387 1583.422       97.90469 1665.000       142.8830 179.6275 5.575075 183.9485 7.954371 -4.321045      9.713573 
1 1 1 -8  4  21 f 318.4619 8.759151 4991.522       272.7803 5162.000       394.9345 4836.000       377.2146 322.9219 12.51828 312.5903 12.35273 10.33160       17.58685 
1 1 1 -8  4  22 o 225.4818 5.343749 2493.316       117.9407 2756.000       217.9088 2384.485       140.2605 236.3724 9.437255 220.3027 6.511577 16.06964       11.46571 
1 1 1 -8  4  23 o 241.2616 4.865317 2853.909       114.8962 2784.889       160.1113 2927.185       164.9731 238.0126 6.879735 244.0171 6.913925 -6.004486      9.753621 
1 1 1 -8  4  24 o 314.7492 6.101474 4863.675       187.9774 4686.865       259.2201 5059.776       272.9949 308.3839 8.595964 320.3962 8.712933 -12.01233      12.23952 
1 1 1 -8  4  25 o 264.9884 5.258025 3445.296       136.3816 3392.855       191.0016 3499.844       194.7998 262.5286 7.440333 266.6325 7.471324 -4.103851      10.54416 
1 1 1 -8  4  26 o 300.0850 5.858878 4422.118       172.0937 4353.435       240.8850 4493.720       245.9485 297.1312 8.290487 301.8730 8.331614 -4.741821      11.75364 
1 1 1 -8  4  27 o 279.5251 5.516815 3836.226       150.9439 3781.188       211.5237 3893.333       215.4646 276.9620 7.810277 281.0347 7.840331 -4.072662      11.06667 
1 1 1 -8  4  28 f 285.7245 5.635374 4009.603       157.6073 3923.984       220.0134 4099.851       225.8833 282.0497 7.977260 288.2959 8.012366 -6.246185      11.30640 
1 1 1 -8  4  29 o 172.5036 5.458117 1463.071       92.04501 1471.000       129.6002 1455.000       130.7500 172.5831 7.691188 171.6173 7.803917 0.9658661      10.95698 
1 1 1 -8  4  30 o 211.4081 6.284024 2200.862       129.8923 2164.000       179.9083 2241.000       187.7322 209.0091 8.813648 212.6352 9.040438 -3.626144      12.62576 
1 1 1 -8  4  31 o 145.1759 4.188534 1035.002       59.45774 996.8737       71.82820 1118.000       105.9745 142.3479 5.163663 150.3970 7.219816 -8.049103      8.876327 
1 1 1 -8  4  32 o 212.6752 4.472135 2221.068       93.09749 2206.446       131.2990 2235.852       132.0234 211.5227 6.348778 212.9306 6.341483 -1.407928      8.973371 
1 1 1 -8  4  33 o 57.65032 4.754794 164.4617       26.59284 167.7000       42.29311 162.3442       34.19916 57.72208 7.675576 57.05140 6.224981 0.6706810      9.882553 
1 1 1 -8  4  34 o 48.91999 5.213394 119.1591       24.57976 92.22000       38.96856 136.9586       31.67580 42.15031 9.653283 52.29399 6.316070 -10.14368      11.53597 
1 1 1 -8  4  35 o 133.9788 3.519321 882.0204       46.11316 873.9984       65.01933 890.1393       65.41014 133.0985 4.999605 134.3271 4.983436 -1.228546      7.059085 
1 1 1 -8  4  36 o 104.9436 3.388865 541.5278       34.76536 524.1448       48.66846 559.6397       49.67839 102.9926 4.841193 106.4426 4.780304 -3.449944      6.803562 
1 1 1 -8  4  37 o 43.29985 5.346756 94.10255       22.18033 109.3336       31.11831 78.37317       31.62322 46.32888 7.087051 38.76532 8.562839 7.563564       11.11524 
1 1 1 -8  4  38 o 70.16463 3.840340 243.2006       26.27454 217.6772       36.46491 270.7605       37.89177 65.99039 5.701174 73.75040 5.283988 -7.760002      7.773282 
1 1 1 -8  4  39 o 54.16854 5.648792 147.4133       29.51125 200.4000       55.20202 126.2095       34.92033 62.02445 9.385661 49.59870 7.420557 12.42575       11.96475 
1 1 1 -8  4  40 o 68.52191 4.700578 233.7633       31.33634 220.2000       56.60638 239.7565       37.62797 64.98676 9.152018 69.15400 5.606933 -4.167244      10.73299 
1 1 1 -8  4  41 o 54.55005 4.643558 148.6389       24.55886 150.2186       34.43154 147.0030       35.03938 54.28969 6.615834 53.62870 6.829764 0.6609840      9.508677 
1 1 1 -8  4  42 o 55.51408 5.320842 155.1214       28.55926 155.2379       35.28055 154.9000       48.64188 55.10628 6.676774 53.90132 9.569976 1.204960       11.66892 
1 1 1 -8  4  43 o 50.18034 5.864590 127.9828       28.26305 136.6129       34.74371 111.1000       48.59508 51.44675 7.087540 44.78382 11.13340 6.662933       13.19794 
1 1 1 -8  4  44 o 13.69469 6.423853 -20.92195      21.75979 3.001163       30.27891 -46.47283      31.29207 20.30383 8.655560 14.78449 7.142606 5.519349       11.22210 
1 1 1 -8  4  45 f 60.89594 4.439358 185.6954       26.27976 190.0611       37.01292 181.2571       37.31934 60.92984 6.296691 59.39212 6.526902 1.537716       9.069111 
1 1 1 -8  4  46 o 55.70957 4.747148 156.5356       25.63986 163.6415       36.51285 149.6230       36.01280 56.13329 6.782733 53.52539 7.044544 2.607899       9.779114 
1 1 1 -8  4  47 o 86.84161 4.313682 378.2319       36.55280 375.8948       44.46955 383.1000       64.18116 86.04316 5.305885 85.13844 7.787661 0.9047241      9.423379 
1 1 1 -8  4  48 o 67.74196 4.144467 230.4487       27.34948 209.2695       38.74162 251.4893       38.61471 63.48456 6.318315 70.01368 5.683439 -6.529118      8.498387 
1 1 1 -8  4  49 o 34.48541 7.956814 65.60685       26.31229 60.42000       45.28645 68.25020       32.32906 32.59198 11.45452 34.61733 9.330876 -2.025356      14.77401 
1 1 1 -8  4  50 o 63.65814 4.315377 204.6988       26.73032 183.6297       37.14995 227.3157       38.49044 59.10958 6.529582 66.16081 6.009029 -7.051235      8.873775 
1 1 1 -8  4  51 o 19.30815 7.743707 12.37251       22.28189 29.23288       30.59426 -6.672733      32.51618 24.72535 9.302874 18.96154 8.494070 5.763809       12.59733 
1 1 1 -8  4  52 o 37.43872 6.653639 75.42838       23.48955 76.82686       32.53159 73.90508       33.95243 36.47836 9.132658 35.55027 9.553550 0.9280930      13.21650 
1 1 1 -8  4  53 o 61.15771 4.987099 192.2907       29.59525 184.6508       36.31476 207.4000       51.06939 59.03730 6.385725 60.59465 8.873251 -1.557346      10.93216 
1 1 1 -8  4  54 o 75.75745 4.689930 293.7738       34.60695 283.7000       61.57446 298.4253       41.84060 70.34816 9.159433 75.57984 5.697647 -5.231682      10.78695 
1 1 1 -8  4  55 o 30.99106 8.817474 56.15594       28.01994 47.71000       50.10767 59.99855       33.79821 29.45753 11.67896 31.58669 9.859223 -2.129164      15.28405 
1 1 1 -8  4  56 o 15.74200 7.234128 -12.65075      25.50158 -46.16000      45.76192 2.442558       30.71243 18.30055 8.789382 19.42649 8.498134 -1.125935      12.22585 
1 1 1 -8  4  57 o 12.81474 6.138018 -26.25420      21.98231 -6.320324      30.81095 -46.92068      31.37201 18.18470 8.196911 14.27665 6.955921 3.908047       10.75054 
1 1 1 -8  4  58 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  4  59 o 39.26072 9.398280 92.73383       35.63657 129.7000       47.70300 46.05000       53.60765 45.23229 10.90296 29.04600 11.87848 16.18629       16.12367 
1 1 1 -8  4  60 o 26.46616 8.831128 40.60202       26.83200 59.03000       45.86182 31.01129       33.08555 30.64035 11.41829 24.65479 9.574395 5.985561       14.90122 
1 1 1 -8  4  61 o 55.29585 5.505461 161.9085       29.40287 192.8178       37.17943 110.3000       48.04178 59.54444 6.483631 40.36169 11.56591 19.18274       13.25925 
1 1 1 -8  4  62 o 19.88839 7.916336 16.72279       23.10937 35.02317       32.98699 -0.9152238     32.38451 25.11233 9.610351 18.97517 8.490238 6.137163       12.82353 
1 1 1 -8  5  1  o 376.5052 8.254191 6951.860       304.1948 6171.000       484.4782 7460.048       390.8406 353.7817 14.01823 389.6754 10.25577 -35.89368      17.36927 
1 1 1 -8  5  2  o 395.8595 8.649202 7686.195       335.1377 7850.131       417.2112 7388.000       562.6888 399.6888 10.67374 386.9937 14.88224 12.69516       18.31420 
1 1 1 -8  5  3  o 195.0158 4.650672 1862.444       88.77524 1869.926       109.3771 1848.000       151.9727 195.2924 5.728018 193.9755 8.021406 1.316818       9.856630 
1 1 1 -8  5  4  o 407.7555 8.889950 8154.717       354.8177 7986.062       428.7937 8521.000       631.9139 403.1569 10.87589 415.6078 15.56093 -12.45090      18.98493 
1 1 1 -8  5  5  o 531.0133 11.45022 13847.47       595.1486 13806.55       727.9010 13930.00       1033.686 529.5875 14.05440 530.3939 19.94611 -0.8063965     24.40028 
1 1 1 -8  5  6  o 169.7343 3.659483 1410.460       60.79886 1437.073       86.99069 1385.046       85.00870 171.2202 5.196542 168.0906 5.172863 3.129623       7.332295 
1 1 1 -8  5  7  o 282.9967 5.502997 3922.479       152.4358 4019.302       219.1759 3831.765       212.1492 286.2531 7.829687 279.4956 7.762133 6.757538       11.02518 
1 1 1 -8  5  8  o 166.6917 3.628710 1360.326       59.20691 1349.472       83.40259 1371.352       84.06376 165.9192 5.141633 167.2602 5.140742 -1.340988      7.270737 
1 1 1 -8  5  9  o 153.0987 3.979129 1148.368       59.57959 1273.000       107.1139 1092.534       71.69363 161.0432 6.810493 149.2850 4.913039 11.75826       8.397664 
1 1 1 -8  5  10 o 132.1991 3.699617 856.2935       47.82604 860.5000       81.05780 854.0471       59.23568 132.3845 6.273194 131.9852 4.592126 0.3992615      7.774354 
1 1 1 -8  5  11 o 127.1842 3.214230 792.3840       39.98233 814.4308       57.20202 771.3239       55.90733 128.8855 4.541302 125.4229 4.561522 3.462616       6.436684 
1 1 1 -8  5  12 o 267.2411 5.252305 3497.867       137.3914 3542.335       195.8539 3454.781       192.7839 268.7312 7.452938 265.3887 7.428644 3.342468       10.52288 
1 1 1 -8  5  13 o 218.7440 4.472917 2343.109       95.77080 2399.917       137.6061 2289.741       133.3737 221.2252 6.361334 216.0865 6.312514 5.138702       8.961830 
1 1 1 -8  5  14 o 510.8246 11.04747 12817.30       552.3837 12540.00       942.2714 12962.49       681.8307 503.0864 19.17002 513.0563 13.58901 -9.969971      23.49789 
1 1 1 -8  5  15 o 409.6962 8.954766 8236.065       359.1057 8391.000       630.6708 8161.732       436.8372 412.1507 15.66143 407.4359 10.96349 4.714752       19.11749 
1 1 1 -8  5  16 o 57.19157 4.844392 161.3630       26.86437 111.3000       47.95161 184.2641       32.43193 46.66645 10.72309 61.08165 5.482718 -14.41520      12.04345 
1 1 1 -8  5  17 o 178.3090 4.553813 1558.391       79.41435 1660.000       144.1712 1514.133       95.15088 183.7498 8.035200 175.6928 5.539820 8.056992       9.759818 
1 1 1 -8  5  18 o 79.37712 3.417903 309.1043       26.49368 315.0704       37.08869 302.8880       37.85862 80.05276 4.754663 78.46851 4.954342 1.584251       6.866755 
1 1 1 -8  5  19 o 198.7875 4.839804 1936.356       94.17228 1871.723       112.8031 2085.000       171.0678 195.2945 5.907783 205.8401 8.508822 -10.54561      10.35867 
1 1 1 -8  5  20 f 72.70245 4.136470 259.7843       29.31497 343.2000       53.97546 224.8839       34.91302 83.36646 6.670128 67.52085 5.325634 15.84561       8.535397 
1 1 1 -8  5  21 o 99.50735 3.691201 485.7085       35.89019 490.8071       43.60516 475.0000       63.19394 99.97646 4.467166 98.15269 6.616249 1.823776       7.983128 
1 1 1 -8  5  22 o 155.9699 4.169967 1192.937       63.60480 1206.552       78.04109 1166.000       109.7699 156.7824 5.092093 153.8808 7.308626 2.901581       8.907604 
1 1 1 -8  5  23 o 46.02995 4.428013 104.8107       19.70473 115.5323       27.37501 93.28273       28.38585 48.15913 5.932476 43.03230 6.977867 5.126831       9.158870 
1 1 1 -8  5  24 o 102.3338 3.783031 513.8624       37.82831 625.4000       71.68031 470.8076       44.53490 112.6460 6.528944 97.87760 4.661880 14.76839       8.022484 
1 1 1 -8  5  25 o 208.1395 4.342809 2124.004       88.47722 2075.788       123.3917 2175.029       126.9349 205.4909 6.141502 210.3454 6.171801 -4.854431      8.706846 
1 1 1 -8  5  26 o 109.3490 3.266838 586.3517       34.92700 539.9794       48.15835 637.8097       50.73044 104.8173 4.705884 113.9487 4.557537 -9.131363      6.551068 
1 1 1 -8  5  27 o 309.8340 6.034646 4716.509       183.0152 4544.468       252.4450 4907.104       265.7091 303.4341 8.507953 315.2830 8.618015 -11.84882      12.11014 
1 1 1 -8  5  28 o 178.2575 3.957538 1557.921       69.05244 1555.392       97.60509 1560.454       97.70480 177.8651 5.613316 178.1551 5.609873 -0.2899933     7.935993 
1 1 1 -8  5  29 o 150.5587 5.312196 1114.672       78.16370 1122.000       113.2203 1108.000       108.0418 150.6625 7.702945 149.7756 7.392449 0.8868866      10.67631 
1 1 1 -8  5  30 o 133.1700 5.204246 872.4695       67.70697 839.7000       96.15160 904.7000       95.35757 130.2605 7.573817 135.2894 7.227101 -5.028900      10.46870 
1 1 1 -8  5  31 o 48.35981 4.726973 115.9329       22.09017 119.8322       31.19572 112.0113       31.28491 48.86977 6.697522 47.16652 6.987374 1.703259       9.678853 
1 1 1 -8  5  32 o 339.8040 9.385451 5741.484       311.8701 6159.000       461.3009 5390.000       423.2532 349.0183 13.52861 326.6752 13.26423 22.34305       18.94632 
1 1 1 -8  5  33 o 69.38157 4.149643 237.2407       28.05254 237.8000       45.06215 236.8867       35.84550 69.07184 6.751167 69.17321 5.335280 -0.1013718     8.604852 
1 1 1 -8  5  34 f 73.48720 3.586625 265.7328       25.72114 250.4084       35.99513 281.7219       36.76753 71.11469 5.207138 75.48372 5.004539 -4.369026      7.222167 
1 1 1 -8  5  35 o 66.35155 4.491915 217.6516       29.00155 231.8570       35.21363 187.7000       51.13224 68.36090 5.304026 60.67138 8.872312 7.689526       10.33686 
1 1 1 -8  5  36 o 100.3454 3.346568 495.1801       32.82430 484.8743       46.18320 505.7005       46.66164 99.04725 4.777691 101.1674 4.725138 -2.120178      6.719617 
1 1 1 -8  5  37 o 71.84907 3.665798 254.6202       25.69556 271.1411       36.63763 238.6272       36.04757 73.88909 5.096946 69.24047 5.360471 4.648621       7.396858 
1 1 1 -8  5  38 o 88.91100 3.498678 389.5985       30.38905 345.2086       41.94995 438.6164       44.08253 83.33461 5.168236 94.06538 4.803645 -10.73077      7.055896 
1 1 1 -8  5  39 o 46.11858 5.122008 106.7571       22.73233 96.11341       31.48187 118.3523       32.85907 43.04385 7.757410 48.04123 7.210033 -4.997375      10.59066 
1 1 1 -8  5  40 o 52.09514 5.673424 136.8226       28.46317 114.5000       51.20194 146.8059       34.24144 45.78837 11.45401 53.69956 6.656856 -7.911186      13.24795 
1 1 1 -8  5  41 o 23.46002 8.688343 23.01332       26.47638 37.34000       49.22972 17.18307       31.40494 30.42223 11.71530 23.33412 9.247626 7.088108       14.92538 
1 1 1 -8  5  42 o 48.55497 5.133223 118.7765       24.02770 131.8384       33.54953 105.0215       34.42812 50.61445 6.955575 44.66167 8.176615 5.952785       10.73485 
1 1 1 -8  5  43 o 74.01113 4.472152 273.1138       32.24695 290.6617       40.03521 240.7000       54.41204 76.03990 5.414332 67.91608 8.361241 8.123817       9.961192 
1 1 1 -8  5  44 o 74.05390 4.526584 273.9828       32.65465 267.6116       39.90334 286.9000       56.81745 72.77493 5.645849 74.26560 7.939068 -1.490669      9.741889 
1 1 1 -8  5  45 o 43.20980 5.993457 96.06760       24.66766 79.22737       33.74500 115.3934       36.14970 38.05274 9.168741 46.51876 8.240682 -8.466022      12.32780 
1 1 1 -8  5  46 o 53.05561 5.717164 144.0798       29.22241 159.1684       35.76977 113.8000       50.67205 55.33936 6.742548 44.30738 11.56305 11.03198       13.38529 
1 1 1 -8  5  47 o 75.03149 3.963948 281.6107       29.00909 268.6147       40.79308 294.9066       41.26103 72.38808 5.805870 75.99206 5.586133 -3.603981      8.056861 
1 1 1 -8  5  48 o 50.07199 5.851538 129.7983       28.13935 142.7000       48.57831 123.2832       34.52068 49.93509 10.28141 47.91141 7.615531 2.023685       12.79468 
1 1 1 -8  5  49 o 49.01678 5.300242 123.5633       25.02601 96.61727       35.67010 149.6855       35.12053 41.42427 9.050806 53.15696 6.913495 -11.73269      11.38918 
1 1 1 -8  5  50 o 57.21194 4.603447 166.2633       25.56215 175.2731       35.65842 156.7387       36.66319 57.79408 6.411086 54.23247 7.075132 3.561611       9.547750 
1 1 1 -8  5  51 o 25.54391 8.049466 35.59451       22.47530 18.86933       30.86768 54.46658       32.78902 22.61903 9.099504 30.79178 9.725059 -8.172752      13.31832 
1 1 1 -8  5  52 o 20.27163 7.776959 17.37864       21.63722 2.837414       30.16270 32.79407       31.05615 19.58097 8.495554 25.42906 9.411241 -5.848093      12.67856 
1 1 1 -8  5  53 o 25.12481 8.749421 33.88885       26.38530 60.59000       48.41945 22.61094       31.46801 31.90924 11.76160 23.25934 9.244364 8.649893       14.95973 
1 1 1 -8  5  54 o 25.35398 8.049287 35.80647       22.43675 60.85511       31.30272 9.340707       32.17602 32.06360 9.380501 20.93534 8.923615 11.12826       12.94700 
1 1 1 -8  5  55 o 24.97987 8.068272 34.72027       22.47071 31.43005       31.20100 38.26582       32.38905 24.83598 9.383649 26.43910 9.640020 -1.603121      13.45299 
1 1 1 -8  5  56 o 41.67683 6.054094 92.83638       23.97548 66.79769       33.58359 119.9010       34.23879 33.22243 9.715334 46.24262 7.844360 -13.02019      12.48686 
1 1 1 -8  5  57 o 52.00156 5.925833 143.4623       29.62523 168.5000       53.26807 132.2498       35.64669 52.16081 10.78942 48.63420 7.747806 3.526608       13.28307 
1 1 1 -8  5  58 o 21.64501 8.648619 19.27252       27.68757 36.98800       32.81984 -24.46000      51.56586 26.05528 9.668898 21.17297 9.918012 4.882305       13.85116 
1 1 1 -8  5  59 o 36.91431 9.093649 81.35493       32.63967 66.21000       46.87429 95.61000       45.47637 32.10196 11.61257 38.20715 11.34068 -6.105190      16.23153 
1 1 1 -8  5  60 o 45.76140 6.661202 114.5307       28.96203 100.5000       49.58372 121.7966       35.68162 38.38230 11.93566 46.01797 8.223390 -7.635674      14.49428 
1 1 1 -8  5  61 o 21.75834 8.132505 24.07845       23.29910 25.30202       32.62349 22.80466       33.28632 23.29200 9.360123 22.93006 9.366673 0.3619366      13.24185 
1 1 1 -8  5  62 o 18.40462 7.688535 9.877110       23.11871 -1.716277      32.84668 21.25850       32.54498 18.95474 8.510451 22.39934 9.218200 -3.444595      12.54603 
1 1 1 -8  6  1  o 378.5147 10.18540 7036.226       377.0268 6366.000       496.5134 7949.000       579.4315 359.4376 14.14000 401.5925 14.76557 -42.15488      20.44411 
1 1 1 -8  6  2  o 226.4072 5.243416 2510.549       116.2013 2483.169       141.6048 2567.000       203.3270 225.0367 6.435240 228.5931 9.105326 -3.556412      11.14986 
1 1 1 -8  6  3  o 448.0616 11.93972 9868.354       523.1798 9177.000       702.3800 10730.00       784.1274 431.1710 16.67385 466.1500 17.21478 -34.97906      23.96593 
1 1 1 -8  6  4  o 141.8628 3.769820 985.9933       52.30102 948.5468       63.36939 1066.000       92.62679 139.1009 4.660766 147.3678 6.436899 -8.266922      7.947101 
1 1 1 -8  6  5  o 213.2686 4.346105 2227.060       90.72633 2276.762       130.4016 2180.429       126.3091 215.4953 6.188550 210.8871 6.125462 4.608200       8.707436 
1 1 1 -8  6  6  o 386.0428 7.307398 7303.184       276.1241 7507.098       398.0817 7114.100       383.3329 390.9959 10.41071 380.6304 10.29830 10.36551       14.64370 
1 1 1 -8  6  7  o 358.3037 6.820265 6290.300       239.1987 6519.928       347.1650 6082.767       330.0404 364.4412 9.740736 352.0193 9.587359 12.42194       13.66746 
1 1 1 -8  6  8  o 538.4493 11.60702 14236.62       611.7469 15200.00       1110.151 13816.52       733.0936 554.0596 20.50544 529.8335 14.14825 24.22607       24.91277 
1 1 1 -8  6  9  o 151.6750 3.957920 1127.123       58.71054 1197.000       102.9891 1093.482       71.45885 156.1547 6.753955 149.3495 4.894779 6.805191       8.341149 
1 1 1 -8  6  10 o 351.6075 6.702842 6057.562       230.6871 6192.996       331.1711 5929.903       321.5244 355.1781 9.534392 347.5547 9.459946 7.623383       13.43113 
1 1 1 -8  6  11 o 357.0182 6.798831 6245.861       237.5915 6294.823       337.7119 6197.876       334.3239 358.0628 9.644430 355.2955 9.622137 2.767303       13.62353 
1 1 1 -8  6  12 o 174.9719 3.800122 1498.951       65.08368 1465.194       90.85557 1534.531       93.27662 172.8723 5.375860 176.9184 5.392635 -4.046021      7.614485 
1 1 1 -8  6  13 o 416.2961 7.855155 8497.018       320.0835 8383.991       448.2753 8614.585       457.1892 412.9989 11.09899 418.6329 11.16720 -5.633972      15.74465 
1 1 1 -8  6  14 o 218.6952 4.487498 2342.228       96.06159 2351.472       136.4520 2333.143       135.2590 218.9638 6.373293 218.1102 6.342282 0.8535461      8.991296 
1 1 1 -8  6  15 o 323.0696 7.199932 5117.361       227.6831 5079.000       393.1717 5136.715       279.2762 321.0331 12.53608 323.4147 8.830281 -2.381622      15.33386 
1 1 1 -8  6  16 o 66.54450 4.331298 217.7964       28.05887 200.6000       51.39532 225.0981       33.49021 63.37159 8.499706 67.59255 5.099503 -4.220959      9.912110 
1 1 1 -8  6  17 o 291.0221 6.574623 4152.936       187.2850 4095.000       322.2295 4182.491       230.1509 288.2060 11.44513 291.8054 8.065474 -3.599365      14.00153 
1 1 1 -8  6  18 o 223.6908 6.532778 2456.145       142.8850 2366.000       198.0494 2554.000       206.3457 219.2164 9.250633 227.7706 9.274722 -8.554153      13.09942 
1 1 1 -8  6  19 o 282.6729 6.422499 3919.600       177.7029 3790.000       301.2492 3988.762       220.0692 277.1063 11.12904 284.8802 7.899695 -7.773865      13.64774 
1 1 1 -8  6  20 o 138.7674 3.919235 944.0934       53.18139 897.6000       87.43383 971.3950       67.00037 135.0784 6.633114 140.6945 4.872477 -5.616119      8.230385 
1 1 1 -8  6  21 o 331.7074 6.390720 5400.387       207.4967 5413.122       293.6863 5387.694       293.2035 331.5006 9.059422 330.7191 9.065957 0.7815857      12.81658 
1 1 1 -8  6  22 o 142.2879 3.994619 992.8341       55.58014 936.9790       65.79516 1132.000       103.8554 138.1558 4.873032 151.6423 7.015859 -13.48651      8.542173 
1 1 1 -8  6  23 o 64.28030 5.526584 204.2169       34.43567 268.5000       51.22126 151.2000       46.51672 73.56426 7.205722 54.69790 9.001069 18.86636       11.53003 
1 1 1 -8  6  24 o 263.2745 6.046097 3403.475       155.8082 3298.427       186.6407 3645.000       283.0049 258.8694 7.373303 271.3105 10.67751 -12.44101      12.97593 
1 1 1 -8  6  25 o 180.4085 3.940459 1595.306       69.58411 1472.762       94.20031 1742.477       103.2323 173.1228 5.566172 188.3189 5.606598 -15.19603      7.900393 
1 1 1 -8  6  26 o 193.5954 4.137525 1837.517       78.40467 1793.356       109.2793 1884.364       112.5552 190.9983 5.852139 195.7850 5.879933 -4.786636      8.295851 
1 1 1 -8  6  27 f 178.2033 3.947042 1556.852       68.84840 1490.553       95.54496 1628.459       99.29601 174.1268 5.613112 182.0164 5.579925 -7.889526      7.914707 
1 1 1 -8  6  28 o 167.6687 4.436563 1380.020       72.74834 1369.156       88.92688 1402.000       126.4925 166.8793 5.451393 168.4966 7.689774 -1.617310      9.426044 
1 1 1 -8  6  29 f 271.0994 6.223005 3614.926       165.1334 3825.000       294.2235 3518.321       199.5220 277.2547 10.86259 267.0086 7.641986 10.24609       13.28141 
1 1 1 -8  6  30 o 75.17304 3.611584 277.7074       26.49682 285.4084       36.86990 269.4817       38.10493 76.07229 4.978892 73.87056 5.305245 2.201729       7.275644 
1 1 1 -8  6  31 o 159.4137 4.257220 1248.218       66.36959 1238.000       111.9924 1253.749       82.39777 158.2206 7.250622 159.6127 5.281294 -1.392044      8.970150 
1 1 1 -8  6  32 o 159.5553 4.273625 1250.940       66.68417 1213.000       111.6067 1272.004       83.16036 156.5141 7.305171 160.7234 5.293266 -4.209351      9.021318 
1 1 1 -8  6  33 o 108.8546 3.798216 582.3776       40.40792 627.2000       68.39532 558.3437       50.08304 112.5792 6.231023 106.4437 4.819393 6.135475       7.877322 
1 1 1 -8  6  34 o 83.78595 3.441566 345.1585       28.16489 291.6511       38.45285 407.0900       41.36920 76.77489 5.146582 90.83922 4.668277 -14.06432      6.948390 
1 1 1 -8  6  35 o 76.44934 3.618594 287.7730       27.00135 279.1077       37.80438 296.7970       38.57874 75.04839 5.178034 77.41110 5.120186 -2.362717      7.282056 
1 1 1 -8  6  36 o 88.49711 3.397124 385.3982       29.37240 373.6735       41.34302 397.3477       41.73748 86.88540 4.880887 89.62493 4.774868 -2.739532      6.828061 
1 1 1 -8  6  37 o 97.84986 3.357058 471.2849       32.10565 468.3575       45.70649 474.1362       45.10792 97.25208 4.816440 97.87361 4.722418 -0.6215363     6.745318 
1 1 1 -8  6  38 o 84.04387 3.524580 348.2852       28.93040 339.7032       40.81702 356.9490       41.01122 82.67138 5.068417 84.77743 4.963871 -2.106049      7.094284 
1 1 1 -8  6  39 o 126.9867 3.502267 795.0805       43.49094 778.2028       60.83408 812.7244       62.19961 125.1610 4.975516 127.9103 4.977435 -2.749367      7.037799 
1 1 1 -8  6  40 o 104.7954 3.436160 541.8668       35.19931 552.5932       49.77669 531.1381       49.78198 105.4125 4.837120 103.3073 4.937349 2.105202       6.911957 
1 1 1 -8  6  41 o 35.15463 6.736138 64.22856       22.33578 53.50410       31.09291 75.66368       32.10659 31.79473 9.361862 37.64124 8.861965 -5.846508      12.89104 
1 1 1 -8  6  42 o 149.4618 4.384516 1109.519       64.07497 1283.000       120.9131 1041.779       75.55617 158.2453 7.830460 144.3027 5.358510 13.94260       9.488400 
1 1 1 -8  6  43 o 11.40912 5.689363 -65.02528      25.61275 -17.04000      47.81606 -84.33324      30.33109 22.58416 10.19284 11.98814 6.009649 10.59602       11.83257 
1 1 1 -8  6  44 o 77.34632 4.444414 298.6754       33.50641 294.3519       40.67730 307.8000       59.09345 76.39538 5.476071 76.89644 7.966291 -0.5010605     9.666910 
1 1 1 -8  6  45 f 92.85093 5.120064 433.9651       46.35359 433.9651       46.35359 0.000000       0.000000 92.85093 5.120064 ?        ?        ?              ?        
1 1 1 -8  6  46 o 56.50240 5.437505 162.7188       29.70182 174.8366       36.66890 139.6000       50.64859 58.07554 6.565571 49.57921 10.74726 8.496330       12.59406 
1 1 1 -8  6  47 o 16.51735 7.409420 -7.956384      24.83578 20.48000       42.18819 -23.03772      30.72371 25.45394 10.48742 16.61436 7.740706 8.839584       13.03475 
1 1 1 -8  6  48 o 47.96020 5.334988 118.1757       24.62160 101.8776       35.43019 133.3979       34.24067 42.85139 8.743406 50.07974 7.191123 -7.228344      11.32075 
1 1 1 -8  6  49 o 42.13136 6.047721 93.00199       24.22637 77.45576       34.85908 107.5257       33.69318 36.72784 9.593369 44.31351 8.064844 -7.585678      12.53293 
1 1 1 -8  6  50 o 44.91703 5.604707 104.7986       24.10697 104.6873       33.60463 104.9165       34.60205 43.55725 8.182289 43.45545 8.439171 0.1017990      11.75455 
1 1 1 -8  6  51 o 29.58035 7.891595 48.84112       23.27117 57.06040       32.88422 40.59563       32.93663 31.40480 9.712562 27.44678 9.757339 3.958012       13.76733 
1 1 1 -8  6  52 o 49.59671 6.048115 129.4713       28.75503 132.4000       51.49361 128.1441       34.66304 46.28160 11.43432 48.43027 7.558917 -2.148670      13.70696 
1 1 1 -8  6  53 f 61.58089 4.356253 192.9351       26.08874 177.3566       36.54879 209.1182       37.25135 57.64803 6.595721 62.99482 6.118276 -5.346786      8.996490 
1 1 1 -8  6  54 f 57.60373 4.528826 169.7952       25.33017 155.7218       35.22297 184.8689       36.45324 53.68592 6.859319 58.86764 6.430832 -5.181721      9.402439 
1 1 1 -8  6  55 o 47.54697 5.330750 118.0980       24.38278 135.0035       34.22767 100.6796       34.74303 49.61820 7.262432 41.70760 8.788067 7.910603       11.40057 
1 1 1 -8  6  56 o 42.34650 5.895230 95.43623       23.77408 94.22798       33.41893 96.67425       33.82806 40.25829 8.732446 40.78953 8.735939 -0.5312424     12.35201 
1 1 1 -8  6  57 o 15.28888 7.134986 -18.20440      26.27773 -4.946024      31.19354 -50.61000      48.76739 18.46516 8.291845 18.63939 8.982981 -0.1742287     12.22492 
1 1 1 -8  6  58 o 30.43261 9.977355 56.13539       34.29468 0.000000       0.000000 56.13539       34.29468 ?        ?        30.43261 9.977355 ?              ?        
1 1 1 -8  6  59 o 46.47335 6.829770 118.2419       30.14215 112.5000       51.85653 121.1718       37.04251 40.72386 12.11566 45.71737 8.593151 -4.993507      14.85367 
1 1 1 -8  6  60 o 35.72990 7.980096 73.77783       27.20354 106.4392       34.24200 17.89000       44.79201 42.71712 8.488560 24.06851 10.39769 18.64861       13.42266 
1 1 1 -8  6  61 o 24.70299 9.568869 32.57118       32.98380 32.57118       32.98380 0.000000       0.000000 24.70299 9.568869 ?        ?        ?              ?        
1 1 1 -8  6  62 o 29.61834 8.755012 53.64227       27.14874 49.14686       33.97754 61.58000       45.14976 28.04808 9.916220 30.32423 11.32359 -2.276148      15.05175 
1 1 1 -8  7  1  f 596.9625 15.77916 17559.91       921.2051 17920.00       1321.980 17220.00       1284.395 600.9601 22.51342 589.1613 22.31226 11.79877       31.69686 
1 1 1 -8  7  2  o 279.1206 6.277541 3816.635       171.5093 3871.993       212.4338 3713.000       290.6607 280.9614 7.731855 274.8314 10.82590 6.130066       13.30345 
1 1 1 -8  7  3  o 231.5512 5.354949 2625.883       121.3693 2644.120       149.7715 2591.000       207.1401 232.2184 6.595784 229.6648 9.233148 2.553650       11.34704 
1 1 1 -8  7  4  o 570.3237 10.63462 15963.00       593.6762 15609.76       826.9979 16338.58       852.7648 563.0122 15.01995 575.9868 15.13865 -12.97455      21.32552 
1 1 1 -8  7  5  o 474.0028 8.878455 11017.28       411.9311 11226.61       590.5289 10818.87       574.9024 477.8488 12.63647 469.1027 12.53168 8.746063       17.79672 
1 1 1 -8  7  6  o 293.9137 6.570616 4232.312       189.0306 4568.000       343.8859 4086.962       226.2840 304.7928 11.54754 288.6370 8.017084 16.15582       14.05772 
1 1 1 -8  7  7  o 579.1183 12.46504 16477.63       706.5895 17720.00       1289.163 15944.13       844.7853 597.6970 22.07329 568.9353 15.18328 28.76172       26.79108 
1 1 1 -8  7  8  f 255.0439 7.146974 3190.150       178.2440 0.000000       0.000000 3190.150       178.2440 ?        ?        255.0439 7.146974 ?              ?        
1 1 1 -8  7  9  o 312.3876 6.021197 4780.520       184.1123 4892.543       264.6843 4675.507       256.2679 315.7575 8.571764 308.6771 8.489774 7.080414       12.06447 
1 1 1 -8  7  10 o 727.5471 13.50823 26032.73       961.9795 26610.34       1382.974 25491.28       1338.981 733.4781 19.27957 717.9613 19.07006 15.51685       27.11769 
1 1 1 -8  7  11 o 519.8765 9.714775 13262.31       494.3552 13460.05       706.7383 13072.86       691.7503 522.8553 13.82139 515.2961 13.72692 7.559265       19.47972 
1 1 1 -8  7  12 f 413.0484 7.798086 8364.710       315.2791 8405.494       447.4695 8324.503       444.2914 413.5357 11.06457 411.5411 11.03928 1.994537       15.62980 
1 1 1 -8  7  13 o 213.3008 4.388695 2228.031       91.62924 2203.327       128.3250 2253.727       130.8794 211.9622 6.191735 214.3711 6.243985 -2.408920      8.793459 
1 1 1 -8  7  14 o 186.7924 3.995866 1708.557       73.05944 1704.136       102.8944 1713.051       103.7542 186.4153 5.645534 186.9005 5.677968 -0.4852448     8.006958 
1 1 1 -8  7  15 o 335.4475 6.439487 5515.807       211.4375 5413.881       295.1151 5623.309       303.0796 331.9513 9.091173 338.3056 9.160966 -6.354248      12.90631 
1 1 1 -8  7  16 o 361.3739 9.811099 6422.238       346.7198 6331.000       485.7557 6517.000       495.0482 357.9308 13.89114 363.1426 13.95317 -5.211823      19.68895 
1 1 1 -8  7  17 o 279.9811 6.365370 3843.896       174.4450 3651.000       292.8504 3949.986       217.1815 272.1239 11.01721 283.5710 7.831969 -11.44711      13.51735 
1 1 1 -8  7  18 o 367.8427 8.120081 6645.444       292.3672 6405.000       493.9379 6775.118       362.7370 359.6052 14.05976 370.9466 9.999323 -11.34134      17.25292 
1 1 1 -8  7  19 o 172.5124 4.461797 1459.233       75.27860 1494.000       133.4941 1443.022       91.15436 174.2213 7.848218 171.4732 5.437813 2.748093       9.548001 
1 1 1 -8  7  20 o 159.9645 3.653387 1253.464       57.20388 1294.679       81.90614 1214.217       79.92717 162.4195 5.158495 157.2828 5.198812 5.136719       7.323778 
1 1 1 -8  7  21 o 165.3598 3.723525 1339.603       60.26851 1285.625       82.87509 1400.192       87.80334 161.8296 5.238809 168.8859 5.318058 -7.056335      7.465042 
1 1 1 -8  7  22 o 92.28642 3.162840 417.6402       28.52851 422.9990       39.63899 411.8815       41.09097 92.79497 4.376403 91.54655 4.600364 1.248413       6.349508 
1 1 1 -8  7  23 o 204.9989 6.147083 2065.315       123.2071 2190.000       180.7047 1957.000       168.4252 210.6528 8.783138 199.1350 8.661500 11.51781       12.33552 
1 1 1 -8  7  24 o 134.1958 4.920506 884.5294       64.52366 996.8000       97.29880 796.4000       86.20547 142.2179 7.011125 127.0898 6.956280 15.12812       9.876523 
1 1 1 -8  7  25 o 95.43610 3.760173 447.0803       35.05709 442.5305       42.47699 456.8000       62.08469 94.87979 4.587358 96.17354 6.635800 -1.293747      8.067075 
1 1 1 -8  7  26 o 74.42840 3.465193 272.0466       25.17553 281.1154       35.62824 263.0028       35.57897 75.54060 4.843981 73.03923 5.006864 2.501373       6.966552 
1 1 1 -8  7  27 o 188.3448 4.717046 1741.551       86.89368 1685.715       104.5858 1866.000       156.1385 185.1543 5.777830 194.3557 8.226019 -9.201401      10.05240 
1 1 1 -8  7  28 o 271.9528 5.401799 3632.500       143.7932 3603.762       202.3335 3661.826       204.3906 270.2863 7.655529 272.4521 7.671796 -2.165894      10.83806 
1 1 1 -8  7  29 o 130.1911 3.994035 832.1046       50.83763 812.7515       61.82762 872.5000       89.32524 128.5635 4.922227 132.9196 6.889116 -4.356125      8.466891 
1 1 1 -8  7  30 o 129.0090 3.892464 817.0910       49.09686 802.9000       80.83972 825.3846       61.80017 127.5275 6.497535 129.5475 4.882389 -2.020035      8.127464 
1 1 1 -8  7  31 o 138.4926 4.835157 943.4932       65.44505 959.2000       91.57937 927.1000       93.55894 139.3120 6.735841 136.9010 7.005173 2.411026       9.718230 
1 1 1 -8  7  32 o 199.5933 4.271656 1956.472       83.45425 1956.491       118.1614 1956.453       117.8834 199.1534 6.068602 199.1552 6.054236 -0.1785278E-02 8.572147 
1 1 1 -8  7  33 o 99.87569 5.070093 492.2418       49.40363 496.5000       72.23789 488.5000       67.71571 99.83812 7.445621 99.12133 7.024882 0.7167892      10.23652 
1 1 1 -8  7  34 o 57.34127 4.530298 162.7725       25.22086 207.5000       40.46992 134.3707       32.24916 64.44265 6.504768 51.71881 6.514575 12.72383       9.206069 
1 1 1 -8  7  35 o 50.87519 5.278543 129.1047       25.90454 114.0868       30.62162 166.9000       48.57835 47.48629 6.780298 57.04373 8.998097 -9.557442      11.26669 
1 1 1 -8  7  36 o 64.63975 3.835377 206.3044       24.15779 212.5899       33.98464 199.8842       34.34678 65.35173 5.359802 63.30600 5.600588 2.045727       7.752037 
1 1 1 -8  7  37 o 35.63834 6.144365 64.86838       20.66001 71.50755       28.96483 57.99222       29.47724 37.00710 8.210881 33.28379 8.882730 3.723312       12.09634 
1 1 1 -8  7  38 o 35.58874 6.192338 64.86960       20.78815 56.14395       29.12633 73.92966       29.67923 32.69483 8.875441 37.54834 8.296591 -4.853512      12.14936 
1 1 1 -8  7  39 o 39.73856 5.738931 80.24533       21.67692 49.13300       29.92208 114.6081       31.44628 30.71490 9.218800 47.27216 7.007969 -16.55726      11.58006 
1 1 1 -8  7  40 o 50.82530 4.659552 129.1577       22.92322 130.0167       32.06919 128.2604       32.77911 50.45428 6.655748 50.03891 6.873879 0.4153748      9.568134 
1 1 1 -8  7  41 o 9.729569 4.881469 -58.13888      20.21445 -61.24424      27.76913 -54.63842      29.48286 12.47111 6.167875 13.55817 6.635391 -1.087055      9.059310 
1 1 1 -8  7  42 o 15.52992 6.902751 -6.514528      21.03969 -12.12397      28.92329 -0.2103895     30.66202 17.64107 7.947742 19.96804 8.614392 -2.326971      11.72068 
1 1 1 -8  7  43 o 61.08876 6.461944 190.6740       38.05439 206.4000       56.36315 177.5000       51.58746 62.11592 9.577612 57.56942 9.484760 4.546505       13.47929 
1 1 1 -8  7  44 o 34.92521 9.653302 66.69970       34.10073 92.42000       50.83715 45.66000       45.97937 40.39365 11.99068 30.96161 11.45266 9.432045       16.58131 
1 1 1 -8  7  45 o 14.55469 6.672210 -13.34481      21.51398 -11.51220      30.16172 -15.24293      30.69604 17.98083 8.107099 17.67469 8.051885 0.3061409      11.42619 
1 1 1 -8  7  46 o 88.40785 5.045278 394.8701       43.47857 336.6000       58.14081 468.8000       65.48892 80.09817 7.503036 94.94110 7.098433 -14.84293      10.32876 
1 1 1 -8  7  47 o 49.29323 5.876986 125.7424       27.79836 150.1480       34.56900 81.08000       46.76411 53.48020 6.754052 37.08526 11.60044 16.39494       13.42339 
1 1 1 -8  7  48 o 16.49243 7.187225 -1.149744      21.78790 -15.03276      31.35192 11.81769       30.30046 17.67980 8.085935 21.37836 8.855647 -3.698555      11.99187 
1 1 1 -8  7  49 o 40.76500 6.113095 87.34862       23.64122 57.79303       33.41003 116.9883       33.45750 31.80554 9.781736 46.49241 7.615417 -14.68687      12.39665 
1 1 1 -8  7  50 o 80.54229 3.876555 325.5562       30.47187 306.0656       42.12283 346.9534       44.13502 77.04344 5.624423 82.12343 5.522584 -5.079987      7.882453 
1 1 1 -8  7  51 o 68.34554 4.266949 236.3035       28.40284 236.5924       40.34231 236.0195       39.99530 67.19627 6.203508 67.14951 6.153327 0.4676056E-01  8.737674 
1 1 1 -8  7  52 o 46.50313 5.474407 112.5968       24.44185 151.0175       35.08098 76.35207       34.07304 53.05761 6.919593 36.09654 9.511800 16.96107       11.76244 
1 1 1 -8  7  53 o 72.00694 4.013036 262.1860       28.17294 243.1674       39.34502 282.1979       40.35946 68.03370 5.968665 73.57935 5.646966 -5.545654      8.216640 
1 1 1 -8  7  54 o 26.40377 8.471726 39.43921       24.80198 52.77000       39.49469 30.75883       31.86984 29.87390 10.67768 24.78444 9.455701 5.089464       14.26265 
1 1 1 -8  7  55 o 26.89717 8.008338 41.03505       22.64964 55.17717       31.55413 26.00367       32.53107 30.49047 9.527692 23.90284 9.431128 6.587631       13.40608 
1 1 1 -8  7  56 o 45.03969 6.601469 109.8291       28.23965 144.4818       34.01786 33.01000       50.64931 51.52045 6.920468 27.23041 11.37818 24.29004       13.31750 
1 1 1 -8  7  57 o 23.29612 8.551355 28.00453       25.55169 49.59000       42.79981 16.05058       31.85052 29.16269 10.99649 21.84111 9.066164 7.321583       14.25195 
1 1 1 -8  7  58 o 18.23256 7.681762 7.395936       23.38287 -3.790142      32.77960 18.98506       33.36492 18.99570 8.517428 22.57964 9.317167 -3.583946      12.62364 
1 1 1 -8  7  59 o 34.47284 8.414902 69.45710       28.14204 36.12000       48.39884 86.48553       34.59063 27.18305 11.21966 37.86151 9.381893 -10.67846      14.62534 
1 1 1 -8  7  60 o 46.24830 6.604161 116.9794       29.04841 166.6000       51.91462 94.36286       35.04868 51.39239 10.66962 39.52465 9.227809 11.86774       14.10650 
1 1 1 -8  7  61 o 31.38595 8.775814 59.78989       28.00601 130.6000       49.10872 25.66101       34.09353 44.16665 11.31110 23.46595 9.519000 20.70070       14.78351 
1 1 1 -8  8  1  o 264.7466 7.371953 3437.575       190.8517 3850.000       291.4617 3128.000       252.5181 279.8818 10.65847 252.2785 10.24733 27.60326       14.78549 
1 1 1 -8  8  2  o 415.0563 9.042044 8448.206       367.3499 8628.000       645.7534 8362.185       446.6654 418.2945 15.80010 412.5840 11.07022 5.710510       19.29230 
1 1 1 -8  8  3  o 275.3019 7.645038 3717.535       205.8138 3632.000       287.0715 3808.000       295.2292 271.8118 10.81142 278.3245 10.85764 -6.512726      15.32238 
1 1 1 -8  8  4  o 100.0861 2.917007 490.7767       28.54656 455.9657       39.82533 527.5629       40.93958 96.40823 4.230559 103.7247 4.040047 -7.316437      5.849753 
1 1 1 -8  8  5  o 442.2311 9.607990 9593.637       415.8992 10570.00       771.0272 9192.975       493.9164 462.7303 17.05215 432.5030 11.67766 30.22729       20.66745 
1 1 1 -8  8  6  o 132.2550 3.666196 857.0042       47.41491 746.3000       75.57818 928.8548       60.88768 123.2644 6.284752 137.6538 4.525074 -14.38934      7.744315 
1 1 1 -8  8  7  o 64.08522 3.378677 201.6161       21.11901 215.6000       33.15567 192.0689       27.39554 66.14864 5.161551 62.46665 4.510871 3.681988       6.854893 
1 1 1 -8  8  8  o 66.87640 3.070234 219.4039       20.04428 233.7696       28.28851 204.9191       28.40564 68.96793 4.210476 64.53147 4.525734 4.436455       6.181454 
1 1 1 -8  8  9  o 370.9548 7.051865 6743.835       256.0538 6767.984       363.5501 6720.064       360.6962 371.2290 10.01412 369.9171 9.970736 1.311951       14.13146 
1 1 1 -8  8  10 o 562.3110 10.49226 15523.18       577.4996 16204.24       841.8459 14917.80       793.6949 573.3895 15.01241 550.2097 14.75065 23.17981       21.04647 
1 1 1 -8  8  11 o 497.5066 9.314141 12144.72       453.5737 12365.76       649.6370 11934.48       633.5651 501.1839 13.25406 492.3814 13.15748 8.802460       18.67590 
1 1 1 -8  8  12 o 332.2820 6.375436 5410.555       207.3590 5392.787       292.5371 5428.497       293.9679 331.4026 9.026586 332.4971 9.040845 -1.094513      12.77561 
1 1 1 -8  8  13 o 222.1494 5.213569 2417.499       113.3670 2610.000       203.3380 2330.673       136.5609 230.4373 9.032367 217.9788 6.407335 12.45854       11.07419 
1 1 1 -8  8  14 o 80.68027 3.139194 319.1744       24.74356 330.1657       34.09439 306.9434       35.96591 81.99638 4.262611 79.02377 4.670553 2.972618       6.323284 
1 1 1 -8  8  15 o 209.3635 5.024112 2147.535       102.9595 2057.440       122.3617 2366.000       190.5399 204.7819 6.111303 219.3277 8.893811 -14.54584      10.79110 
1 1 1 -8  8  16 o 298.1966 6.717948 4361.108       196.0855 4043.000       324.1502 4544.692       246.2505 286.2902 11.59131 304.1308 8.279702 -17.84058      14.24472 
1 1 1 -8  8  17 o 114.2247 3.799439 639.7358       42.42102 568.2000       72.64520 676.7512       52.25608 107.3916 6.948125 117.4405 4.554460 -10.04887      8.307800 
1 1 1 -8  8  18 o 73.00674 4.110908 261.9386       29.25828 233.7000       52.70536 274.5171       35.17618 68.51333 8.010112 74.68718 4.837703 -6.173851      9.357631 
1 1 1 -8  8  19 o 128.5533 3.902236 810.3472       49.04559 753.3000       84.35031 839.4852       60.28357 123.6715 6.996581 130.7897 4.716619 -7.118256      8.437928 
1 1 1 -8  8  20 o 21.48894 7.943054 17.64335       22.10997 24.19000       40.99284 14.95751       26.25657 27.61415 10.67539 22.01143 8.534403 5.602716       13.66748 
1 1 1 -8  8  21 f 274.5628 6.270164 3700.573       168.5104 3797.000       297.8012 3655.156       204.3767 277.0390 11.00384 272.5633 7.668132 4.475708       13.41211 
1 1 1 -8  8  22 o 132.5578 4.802190 862.7535       62.20602 0.000000       0.000000 862.7535       62.20602 ?        ?        132.5578 4.802190 ?              ?        
1 1 1 -8  8  23 o 190.6398 5.810736 1785.799       108.3038 1808.000       155.7227 1765.000       150.7288 191.4231 8.330912 189.1601 8.159864 2.263016       11.66137 
1 1 1 -8  8  24 o 171.3762 4.411139 1441.075       73.93436 1433.425       89.95708 1457.000       129.7883 170.8134 5.387045 171.8691 7.734744 -1.055710      9.425843 
1 1 1 -8  8  25 f 292.8631 8.144124 4229.590       233.2348 4229.590       233.2348 0.000000       0.000000 292.8631 8.144124 ?        ?        ?              ?        
1 1 1 -8  8  26 o 153.7357 5.103322 1161.280       76.68872 1161.280       76.68872 0.000000       0.000000 153.7357 5.103322 ?        ?        ?              ?        
1 1 1 -8  8  27 o 246.2924 4.972083 2977.389       119.8659 2789.822       162.6664 3200.248       177.3107 237.9719 6.990963 254.8608 7.114608 -16.88889      9.974528 
1 1 1 -8  8  28 o 123.8899 3.423747 752.8846       41.47889 741.5942       58.25991 764.4905       59.06847 122.8162 4.855844 124.7015 4.848487 -1.885277      6.862000 
1 1 1 -8  8  29 o 118.3109 3.815885 687.1531       44.13245 721.3000       72.80634 667.3185       55.48870 120.9255 6.171401 116.4755 4.877823 4.449944       7.866343 
1 1 1 -8  8  30 o 287.4701 5.674068 4064.847       159.6590 4064.833       225.9299 4064.861       225.6543 286.6294 8.060802 286.6342 8.050813 -0.4791260E-02 11.39263 
1 1 1 -8  8  31 o 260.3539 5.218972 3333.365       133.0011 3349.767       188.9539 3317.260       187.2418 260.2557 7.424950 259.0003 7.393347 1.255402       10.47814 
1 1 1 -8  8  32 o 132.9318 3.445617 867.4947       44.79567 844.1356       62.55658 892.0787       64.17574 130.9245 4.890008 134.5979 4.879165 -3.673386      6.907853 
1 1 1 -8  8  33 o 103.7280 3.319559 528.5091       33.66070 536.0334       47.63179 521.0027       47.57509 104.2785 4.678462 102.7932 4.741113 1.485344       6.660793 
1 1 1 -8  8  34 f 37.51608 5.601448 70.97119       19.94038 83.84773       27.65651 57.03039       28.77674 40.50961 7.240594 33.18661 8.739602 7.322994       11.34931 
1 1 1 -8  8  35 o 163.4668 4.350602 1316.907       69.55026 1349.000       119.1214 1300.309       85.66841 164.3685 7.423132 162.1274 5.405873 2.241165       9.182939 
1 1 1 -8  8  36 o 99.07019 3.919644 483.9570       37.93480 470.3157       45.64952 514.4000       68.19486 97.48031 4.798993 101.3633 6.914697 -3.882973      8.416850 
1 1 1 -8  8  37 o 90.46492 3.432471 403.2016       30.33925 393.6459       42.65128 412.9893       43.16570 89.07613 4.910755 91.25973 4.849708 -2.183594      6.901824 
1 1 1 -8  8  38 o 17.04566 7.141397 3.015648       20.03220 4.209133       28.00256 1.764697       28.66881 20.04595 8.423769 19.83014 8.436894 0.2158031      11.92229 
1 1 1 -8  8  39 o 11.30679 5.490959 -32.26667      19.11902 -29.32329      26.76752 -35.33228      27.31763 14.83063 7.008296 14.42811 6.892247 0.4025230      9.829511 
1 1 1 -8  8  40 f 95.30812 3.447301 448.5200       32.10697 420.3448       44.58615 478.8675       46.27304 91.82079 4.979444 98.07139 4.835269 -6.250603      6.940798 
1 1 1 -8  8  41 o 54.48211 4.526795 148.3353       23.92289 134.6029       32.82319 163.8961       34.94010 51.24662 6.704085 56.72781 6.404312 -5.481197      9.271460 
1 1 1 -8  8  42 o 30.02517 8.228654 47.89561       24.89757 35.81005       29.80387 75.81000       45.29532 27.04255 9.304878 37.23221 11.37805 -10.18966      14.69833 
1 1 1 -8  8  43 o 36.66456 7.307520 70.86402       25.30448 65.06579       30.49237 83.69000       45.35119 34.68305 8.928947 38.76938 11.27639 -4.086334      14.38343 
1 1 1 -8  8  44 o 23.56822 7.954878 27.43926       21.76624 28.24296       30.33506 26.58636       31.24951 25.16405 9.303482 24.96286 9.399869 0.2011948      13.22544 
1 1 1 -8  8  45 o 60.32172 6.185156 186.9188       36.00333 0.000000       0.000000 186.9188       36.00333 ?        ?        60.32172 6.185156 ?              ?        
1 1 1 -8  8  46 o 14.30907 6.585504 -13.83540      21.24407 0.3843282      30.42349 -27.36651      29.67769 19.64721 8.528197 15.83520 7.451187 3.812019       11.32477 
1 1 1 -8  8  47 o 33.63900 7.036899 60.87265       22.42443 60.16979       31.71931 61.57494       31.70656 32.67355 9.408937 33.04387 9.372309 -0.3703194     13.28037 
1 1 1 -8  8  48 o 45.67749 6.159258 109.1915       26.83715 105.0395       34.05072 116.0000       43.60357 43.71501 8.260354 44.80726 10.17484 -1.092255      13.10575 
1 1 1 -8  8  49 o 26.25246 8.647853 37.22538       25.75192 27.33442       32.12445 55.01000       43.07633 24.62777 9.468890 31.28113 11.15459 -6.653360      14.63164 
1 1 1 -8  8  50 o 51.18227 5.807332 136.4309       28.58027 121.5200       35.11352 165.7000       49.19577 47.11471 7.892896 53.83951 9.691477 -6.724804      12.49890 
1 1 1 -8  8  51 o 36.24836 6.820124 71.07983       23.31056 81.50435       32.46394 59.98439       33.49233 37.72507 8.930856 32.06033 9.781295 5.664738       13.24515 
1 1 1 -8  8  52 o 62.88918 4.407666 201.0669       26.96077 154.6798       36.53699 256.5180       39.94744 53.51318 7.154435 70.09247 5.876575 -16.57928      9.258513 
1 1 1 -8  8  53 o 37.32307 6.522281 75.38419       22.96087 73.56297       32.07291 77.29887       32.88548 35.33908 9.187869 36.20293 9.247906 -0.8638496     13.03613 
1 1 1 -8  8  54 o 40.89715 6.107555 89.45520       23.70127 114.8967       33.02032 62.41778       34.04025 45.39349 7.706900 32.14290 9.871387 13.25059       12.52360 
1 1 1 -8  8  55 o 20.23813 8.260850 13.84841       25.86698 -2.298938      30.63420 53.96000       48.28263 18.73561 8.328338 30.34089 11.62298 -11.60528      14.29878 
1 1 1 -8  8  56 o 48.19042 6.042695 123.7329       27.87848 135.4000       47.26633 117.5089       34.52286 46.81867 10.56571 45.60289 8.027099 1.215775       13.26908 
1 1 1 -8  8  57 o 30.40875 7.842248 52.96361       23.49392 68.60815       34.01686 38.69482       32.48676 33.53498 9.769654 26.39045 9.649525 7.144531       13.73170 
1 1 1 -8  8  58 o 26.99728 8.161308 42.01928       23.39015 58.60784       33.53750 26.30845       32.63817 30.96364 9.842361 23.76041 9.423970 7.203230       13.62657 
1 1 1 -8  8  59 o 23.75146 8.153497 31.03641       22.88039 65.04314       33.30811 0.6517310      31.48436 32.54932 9.716419 19.22052 8.498660 13.32880       12.90876 
1 1 1 -8  8  60 o 31.01325 7.770849 55.73753       23.53900 77.05224       34.20352 36.55885       32.44445 35.23307 9.640082 25.59742 9.590764 9.635645       13.59831 
1 1 1 -8  8  61 o 41.04365 7.347169 95.75235       28.43312 69.91000       50.23581 107.9329       34.48904 31.79097 11.92936 42.60777 8.566944 -10.81679      14.68680 
1 1 1 -8  9  1  o 429.4470 11.47262 9062.745       481.8249 9493.000       704.1904 8684.000       660.6942 438.6049 16.43157 419.5388 16.11873 19.06610       23.01760 
1 1 1 -8  9  2  o 150.8265 4.946952 1115.244       72.93459 1087.000       102.6841 1144.000       103.6123 148.7683 7.071828 152.6363 6.953278 -3.867920      9.917602 
1 1 1 -8  9  3  o 387.8815 8.482553 7377.000       322.0564 7245.000       551.7821 7445.202       396.6241 383.4024 14.73042 389.3492 10.41655 -5.946777      18.04134 
1 1 1 -8  9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  9  5  o 154.2984 4.827225 1167.051       72.81662 1129.000       101.7472 1207.000       104.2551 151.6334 6.873088 156.7989 6.809022 -5.165466      9.674819 
1 1 1 -8  9  6  o 260.0352 5.913065 3312.428       150.5050 3337.000       261.0343 3300.192       184.2062 260.5536 10.25518 259.3917 7.262223 1.161896       12.56617 
1 1 1 -8  9  7  o 238.7943 4.793407 2792.519       112.0404 2805.990       159.1763 2779.292       157.7316 239.1970 6.805470 238.0576 6.775984 1.139435       9.603561 
1 1 1 -8  9  8  o 243.0586 4.863987 2893.255       115.7203 2871.807       163.1125 2914.990       164.1994 241.9772 6.893651 243.7916 6.887826 -1.814392      9.744977 
1 1 1 -8  9  9  o 201.7185 4.207162 1992.467       83.06943 2021.751       118.5369 1964.207       116.4468 203.0551 5.970427 200.1432 5.950632 2.911850       8.429473 
1 1 1 -8  9  10 o 375.7462 7.139523 6920.477       262.5851 7107.792       378.3188 6746.353       364.7552 380.3609 10.17058 370.5715 10.06527 9.789337       14.30910 
1 1 1 -8  9  11 o 49.19146 3.790082 119.1850       18.10861 120.5304       24.02110 117.4138       27.56125 49.34961 5.043672 48.59588 5.915955 0.7537346      7.774133 
1 1 1 -8  9  12 o 237.8890 4.776386 2771.838       111.2193 2769.144       157.1370 2774.542       157.4391 237.5834 6.763917 237.8146 6.770335 -0.2311401     9.570163 
1 1 1 -8  9  13 o 296.1969 5.760582 4299.202       167.0141 4252.444       234.4289 4347.395       237.9986 294.2835 8.146235 297.5494 8.179398 -3.265839      11.54399 
1 1 1 -8  9  14 o 44.80615 4.882652 99.51711       21.06806 107.8616       23.84585 69.83000       44.97763 46.61618 5.321201 37.53318 11.31095 9.083000       12.50011 
1 1 1 -8  9  15 o 196.3627 4.812997 1889.139       92.50834 1776.000       156.5985 1949.784       114.6516 189.9935 8.441671 199.3502 5.882098 -9.356705      10.28887 
1 1 1 -8  9  16 o 84.54956 3.123236 350.5162       25.80331 326.1119       34.81855 380.2474       38.43109 81.47145 4.382281 87.98560 4.477080 -6.514145      6.264874 
1 1 1 -8  9  17 o 287.1289 5.611905 4042.175       157.7224 3969.968       220.0522 4118.459       226.1805 284.1897 7.918350 289.4482 7.990864 -5.258575      11.24963 
1 1 1 -8  9  18 o 109.6680 3.175547 589.4935       34.05237 606.3090       48.13550 572.6475       48.17918 111.1458 4.433416 108.0016 4.567774 3.144135       6.365511 
1 1 1 -8  9  19 o 113.7777 3.767558 634.8892       41.90096 626.8000       74.72368 638.5993       50.60574 112.7828 6.800354 114.0563 4.541964 -1.273491      8.177667 
1 1 1 -8  9  20 o 164.9851 5.276373 1336.343       85.09962 0.000000       0.000000 1336.343       85.09962 ?        ?        164.9851 5.276373 ?              ?        
1 1 1 -8  9  21 f 74.14121 4.827423 270.6707       34.84282 0.000000       0.000000 270.6707       34.84282 ?        ?        74.14121 4.827423 ?              ?        
1 1 1 -8  9  22 o 136.1730 3.976892 909.5730       52.95116 1072.000       100.7192 847.5315       62.24781 147.5147 6.995355 131.3688 4.849216 16.14587       8.511749 
1 1 1 -8  9  23 o 110.1554 4.606171 596.0999       49.55559 0.000000       0.000000 596.0999       49.55559 ?        ?        110.1554 4.606171 ?              ?        
1 1 1 -8  9  24 o 263.5011 6.039897 3410.718       155.7823 3328.413       187.8463 3592.000       278.7835 259.9612 7.389735 269.1809 10.60149 -9.219727      12.92284 
1 1 1 -8  9  25 o 149.3899 4.082491 1095.009       59.64108 1060.657       71.86809 1171.000       106.8916 146.9322 5.004345 154.1041 7.105482 -7.171906      8.690877 
1 1 1 -8  9  26 o 193.8797 4.802724 1844.479       91.14363 1791.423       109.5209 1964.000       164.3794 190.8592 5.869406 199.3465 8.443393 -8.487335      10.28304 
1 1 1 -8  9  27 o 249.9045 5.821069 3069.218       142.3912 3043.736       173.3897 3122.000       249.5415 248.5059 7.135595 250.7761 10.18721 -2.270203      12.43768 
1 1 1 -8  9  28 o 315.9279 8.721340 4938.873       269.4398 4982.000       381.6088 4896.000       380.4846 315.5644 12.37848 312.7842 12.45245 2.780182       17.55820 
1 1 1 -8  9  29 o 215.4287 4.509898 2278.093       95.09913 2358.833       137.1835 2203.395       131.9500 218.7902 6.412638 211.4592 6.382254 7.331024       9.047381 
1 1 1 -8  9  30 o 52.49451 4.139433 136.0821       21.09768 156.7576       28.65541 111.6075       31.17710 56.22278 5.268374 47.06779 6.978175 9.154991       8.743608 
1 1 1 -8  9  31 o 134.6049 3.444341 889.2993       45.34362 857.6965       62.90209 923.4861       65.42332 131.9982 4.876837 136.9719 4.887553 -4.973785      6.904470 
1 1 1 -8  9  32 o 106.1474 3.975196 554.1112       41.22931 526.9000       74.66254 566.0491       49.45307 102.8725 7.465566 107.1803 4.725426 -4.307793      8.835402 
1 1 1 -8  9  33 o 68.62225 3.628859 231.8830       24.28816 257.3094       34.06500 205.5918       34.63950 72.13103 4.853054 64.32562 5.555910 7.805405       7.377009 
1 1 1 -8  9  34 o 48.54265 4.466044 116.9826       20.98268 132.9008       28.57078 98.34416       30.91573 51.54128 5.761641 43.87860 7.465241 7.662674       9.430076 
1 1 1 -8  9  35 o 142.2841 3.537752 995.2360       49.27082 972.2691       68.67409 1019.599       70.73034 140.2321 5.011156 143.6006 5.039843 -3.368500      7.107159 
1 1 1 -8  9  36 o 60.48762 4.376889 181.4031       25.73895 157.5000       38.96951 199.9000       34.28041 55.66785 7.329695 63.26459 5.593347 -7.596737      9.220085 
1 1 1 -8  9  37 o 117.2057 3.958517 678.0368       45.34860 670.1534       54.78216 695.2000       80.83166 116.2842 4.823431 117.6157 7.053587 -1.331444      8.545091 
1 1 1 -8  9  38 o 123.6864 3.452903 754.2141       41.76257 723.7441       57.82867 787.4276       60.37606 120.7128 4.904434 125.9184 4.907969 -5.205597      6.938417 
1 1 1 -8  9  39 o 33.47060 6.823195 58.28114       21.59509 53.05700       30.03770 63.86999       31.06853 31.72337 9.162497 34.63933 9.061146 -2.915955      12.88626 
1 1 1 -8  9  40 o 83.41125 3.550081 343.9919       28.91844 381.2095       41.69296 309.4871       40.14466 87.42625 4.891590 78.63309 5.245744 8.793159       7.172550 
1 1 1 -8  9  41 o 40.92963 6.526253 86.41915       25.26875 80.60939       30.55879 98.98000       44.93312 38.95809 8.269738 42.41286 10.79705 -3.454769      13.60018 
1 1 1 -8  9  42 o 41.95028 6.492385 90.82634       25.79874 72.49792       31.26945 129.9000       45.65620 36.70078 8.815254 48.95983 9.868196 -12.25905      13.23216 
1 1 1 -8  9  43 o 59.72389 4.220325 178.0834       24.51288 169.0494       34.77420 187.0063       34.55970 57.49868 6.280661 60.65499 5.895272 -3.156315      8.613997 
1 1 1 -8  9  44 o 18.24308 7.664268 4.471375       23.17173 15.08000       36.90621 -2.431795      29.77105 23.90433 9.824760 19.17953 8.378997 4.724806       12.91253 
1 1 1 -8  9  45 o 27.00134 7.699008 39.09417       21.33940 65.07181       30.46227 14.06258       29.90244 34.33985 8.967165 21.94221 8.909654 12.39764       12.64089 
1 1 1 -8  9  46 o 53.70368 5.566850 148.0105       28.83914 116.1000       53.16927 161.3119       34.32745 44.03552 12.00726 55.67945 6.415706 -11.64393      13.61380 
1 1 1 -8  9  47 o 50.69400 5.750580 132.8390       28.03124 159.2000       54.59238 123.4006       32.66622 52.22059 11.02681 48.16296 7.145471 4.057632       13.13957 
1 1 1 -8  9  48 o 24.32461 8.057670 31.12929       22.34694 50.21284       32.71113 14.42845       30.60097 29.94881 9.739510 21.86829 8.962473 8.080519       13.23571 
1 1 1 -8  9  49 f 24.50915 8.592023 30.86087       25.46950 37.54306       32.08693 19.48000       41.87519 26.82130 9.619940 24.90599 10.37164 1.915314       14.14617 
1 1 1 -8  9  50 o 42.81863 6.731060 98.07548       27.28139 85.76322       33.45831 122.5000       47.12465 38.75885 8.993289 45.21646 10.79684 -6.457611      14.05172 
1 1 1 -8  9  51 o 56.00658 4.611221 160.0903       25.05535 145.9219       35.06305 174.8738       35.81618 52.06189 7.062509 57.44633 6.482674 -5.384438      9.586662 
1 1 1 -8  9  52 o 20.23594 7.848202 17.00742       22.20878 -4.250752      30.82775 39.94485       32.02222 18.64246 8.316481 27.00137 9.618639 -8.358915      12.71543 
1 1 1 -8  9  53 o 69.08912 4.074131 241.9534       27.42955 256.6797       38.67542 227.0493       38.90813 70.04591 5.689823 65.51336 6.138931 4.532547       8.370219 
1 1 1 -8  9  54 o 28.81987 8.716423 48.21964       26.67579 52.32747       31.66174 38.17000       49.52265 29.72734 9.575065 27.92118 11.41752 1.806152       14.90106 
1 1 1 -8  9  55 o 19.58529 8.021961 12.41866       24.49683 -22.97000      40.55411 32.74965       30.73846 18.91476 8.839146 24.99894 9.341592 -6.084175      12.86063 
1 1 1 -8  9  56 o 35.42536 6.961499 69.43539       23.27797 55.73784       33.20506 82.67252       32.64221 30.39471 9.807050 37.37815 9.024935 -6.983435      13.32770 
1 1 1 -8  9  57 o 39.77358 6.440153 85.81598       24.21588 95.26572       34.24880 76.36885       34.24406 40.25483 8.926171 35.46098 9.622513 4.793850       13.12514 
1 1 1 -8  9  58 o 41.03756 6.294946 91.15056       24.48020 73.49730       35.03286 107.9959       34.22183 34.48987 9.874488 43.24616 8.387162 -8.756287      12.95569 
1 1 1 -8  9  59 o 26.97922 7.995322 42.08271       22.61811 48.44144       32.70309 36.25208       31.31567 28.41096 9.747976 25.57379 9.453074 2.837164       13.57879 
1 1 1 -8  9  60 o 33.28012 7.459052 63.41239       23.69562 34.41717       33.90203 91.10634       33.13256 25.21075 9.718382 38.97466 8.883260 -13.76391      13.16660 
1 1 1 -8  9  61 o 24.02723 8.176181 33.04826       22.99741 22.33421       33.16982 42.96583       31.91308 22.67464 9.316200 26.73085 9.593076 -4.056208      13.37231 
1 1 1 -8  10 1  f 225.6182 4.565701 2492.688       100.8296 2621.233       147.6688 2380.409       138.0098 231.2029 6.531676 220.3258 6.406190 10.87706       9.148883 
1 1 1 -8  10 2  o 627.3543 13.49997 19356.76       828.9952 20540.00       1497.396 18833.81       995.4713 642.4964 23.85143 617.8684 16.47458 24.62799       28.98797 
1 1 1 -8  10 3  o 353.7437 9.557862 6143.899       330.6417 0.000000       0.000000 6143.899       330.6417 ?        ?        353.7437 9.557862 ?              ?        
1 1 1 -8  10 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  10 5  o 365.0722 8.048571 6534.601       287.6098 5996.000       470.6083 6855.696       363.3644 348.8228 13.81045 373.6252 9.944578 -24.80243      17.01832 
1 1 1 -8  10 6  f 314.4335 6.069497 4843.845       186.8047 4699.192       259.2844 4999.967       269.3674 309.4238 8.569093 319.1736 8.629998 -9.749786      12.16167 
1 1 1 -8  10 7  o 347.8213 6.650868 5928.588       226.4335 5904.946       319.8967 5952.327       320.5551 346.7728 9.433267 348.1646 9.414790 -1.391754      13.32759 
1 1 1 -8  10 8  o 211.5152 4.370533 2190.838       90.48616 2130.015       126.2619 2255.061       129.7426 208.4058 6.196393 214.4418 6.187585 -6.035980      8.756797 
1 1 1 -8  10 9  o 361.1573 6.883007 6393.200       243.3217 6419.764       345.4244 6367.036       342.8082 361.5021 9.770896 360.0181 9.736876 1.484070       13.79410 
1 1 1 -8  10 10 o 278.5721 5.459183 3801.754       148.8578 3716.685       207.8582 3891.319       213.2798 275.1929 7.724201 281.5867 7.745404 -6.393829      10.93867 
1 1 1 -8  10 11 o 215.2039 4.429126 2268.217       93.29845 2175.109       129.0105 2370.301       135.0870 210.5732 6.266128 219.8250 6.284577 -9.251862      8.874699 
1 1 1 -8  10 12 o 340.9246 7.554584 5701.311       252.1013 5624.917       305.6116 5864.000       445.9856 338.3191 9.237271 344.7001 13.24286 -6.381012      16.14622 
1 1 1 -8  10 13 o 177.7785 4.510524 1549.162       78.42625 1677.000       144.3559 1495.629       93.41474 184.6806 8.004602 174.6141 5.472255 10.06648       9.696352 
1 1 1 -8  10 14 o 280.1953 5.488277 3847.861       150.5231 3777.776       210.3903 3921.353       215.4431 277.3265 7.758096 282.5462 7.797448 -5.219727      10.99946 
1 1 1 -8  10 15 o 94.26859 3.056898 435.5891       28.16953 436.0839       38.82045 435.0388       40.93941 94.25683 4.218357 94.12766 4.456079 0.1291733      6.136055 
1 1 1 -8  10 16 o 298.0954 5.798369 4357.409       169.1871 4187.335       232.8848 4547.494       246.2038 291.8305 8.160768 304.1113 8.278666 -12.28079      11.62473 
1 1 1 -8  10 17 o 168.4726 3.725979 1390.332       61.44349 1332.764       84.53085 1454.821       89.46758 164.7932 5.247151 172.1752 5.315073 -7.382004      7.468775 
1 1 1 -8  10 18 o 169.7563 3.758647 1411.747       62.45449 1323.837       84.96591 1515.073       92.11455 164.2215 5.292684 175.6877 5.362772 -11.46622      7.534708 
1 1 1 -8  10 19 o 121.9000 3.202026 728.3103       38.17322 727.4580       53.15627 729.2179       54.85392 121.7448 4.468228 121.8813 4.606239 -0.1365662     6.417360 
1 1 1 -8  10 20 o 69.74357 4.107090 239.2036       27.91373 213.3000       52.08698 249.6404       33.06227 65.31596 8.336887 71.19611 4.771831 -5.880150      9.605939 
1 1 1 -8  10 21 f 182.3483 5.632711 1633.418       100.4163 0.000000       0.000000 1633.418       100.4163 ?        ?        182.3483 5.632711 ?              ?        
1 1 1 -8  10 22 o 337.6971 7.532202 5610.890       248.9748 5750.000       439.4695 5545.136       302.1401 339.7423 13.24052 335.1484 9.218868 4.593842       16.13379 
1 1 1 -8  10 23 o 317.8690 8.775333 4986.825       272.7736 4873.000       381.4062 5106.000       390.2666 312.8817 12.47882 320.2883 12.47226 -7.406616      17.64307 
1 1 1 -8  10 24 o 138.9841 4.983941 949.0726       67.69249 913.8000       97.49805 981.9000       94.05788 136.0600 7.348074 141.1327 6.828924 -5.072632      10.03137 
1 1 1 -8  10 25 o 206.1596 4.324100 2084.440       87.25806 1895.892       116.3662 2326.647       131.8895 196.3248 6.062705 217.4815 6.201909 -21.15675      8.672951 
1 1 1 -8  10 26 o 95.06271 3.276620 443.3707       30.44337 401.4193       41.47281 492.3884       44.82973 90.32400 4.707121 100.0732 4.588804 -9.749207      6.573744 
1 1 1 -8  10 27 o 191.8748 5.791450 1811.327       108.6461 1807.000       150.7796 1816.000       156.6883 191.1730 8.075868 191.5759 8.376070 -0.4029541     11.63521 
1 1 1 -8  10 28 o 157.9524 4.263790 1225.050       65.86138 1216.979       80.01891 1242.000       115.9662 157.3047 5.204068 158.5032 7.495827 -1.198471      9.125226 
1 1 1 -8  10 29 o 241.4768 5.671882 2868.399       134.0630 2852.534       163.4613 2901.000       234.3157 240.4030 6.953853 241.3844 9.938387 -0.9813995     12.12962 
1 1 1 -8  10 30 o 94.96262 3.337693 442.7653       30.97629 459.5211       43.51195 425.5470       44.10832 96.60629 4.614818 92.92600 4.866236 3.680283       6.706474 
1 1 1 -8  10 31 o 152.3353 3.627549 1138.780       54.09039 1117.984       75.61662 1160.571       77.40547 150.6499 5.135437 153.4911 5.159410 -2.841125      7.279576 
1 1 1 -8  10 32 o 62.59851 3.681737 193.0604       22.45955 177.9886       30.72989 210.3435       32.90696 59.87583 5.297895 65.14397 5.203921 -5.268135      7.426202 
1 1 1 -8  10 33 o 106.4789 5.007307 559.9617       52.04222 536.9000       76.73940 579.6000       70.81474 103.6399 7.617810 107.9433 6.735838 -4.303352      10.16870 
1 1 1 -8  10 34 o 66.51497 3.680274 218.1461       23.86764 212.3263       32.27179 225.1729       35.46107 65.39799 5.081258 67.29284 5.429716 -1.894844      7.436464 
1 1 1 -8  10 35 o 119.1760 3.349229 698.6435       39.03094 657.3077       53.31344 746.3887       57.29786 115.3011 4.733927 122.8678 4.773326 -7.566673      6.722701 
1 1 1 -8  10 36 o 66.16206 3.758043 216.2527       24.23748 256.3776       33.56286 172.5216       35.03868 71.85768 4.799283 58.56604 6.206527 13.29164       7.845642 
1 1 1 -8  10 37 o 37.97985 6.475744 73.97240       23.21133 60.69000       33.99785 85.56898       31.76714 33.95644 9.729363 40.43129 8.305112 -6.474846      12.79201 
1 1 1 -8  10 38 o 57.65401 4.842303 165.9978       27.07446 155.9491       32.34873 189.5000       49.47182 55.55725 6.045943 60.41774 8.608646 -4.860489      10.51961 
1 1 1 -8  10 39 o 38.14140 6.024386 74.47620       21.74545 57.93530       30.13689 92.44176       31.40791 33.01103 9.055629 42.01383 7.927901 -9.002800      12.03561 
1 1 1 -8  10 40 o 47.72556 5.758370 115.5750       26.35721 108.3403       32.01269 130.8000       46.44002 45.66428 7.416301 49.26734 9.972633 -3.603058      12.42799 
1 1 1 -8  10 41 o 35.89399 7.248992 67.65749       24.59052 70.58002       29.92456 61.58000       43.15281 36.31268 8.559793 34.11903 11.19231 2.193649       14.09034 
1 1 1 -8  10 42 o 19.94832 7.574111 15.29643       20.38689 29.05580       28.88302 1.634946       28.78010 25.20197 9.115680 19.62556 8.404348 5.576410       12.39874 
1 1 1 -8  10 43 f 27.20785 8.083481 39.07915       23.09624 31.99000       36.27301 43.91315       29.95295 26.98773 10.13476 28.95353 9.311920 -1.965792      13.76318 
1 1 1 -8  10 44 o 68.63180 3.856407 234.7177       25.80263 227.2316       36.10525 242.5320       36.88820 66.88448 5.565293 69.14378 5.495577 -2.259300      7.821372 
1 1 1 -8  10 45 o 23.33143 7.762781 27.65382       20.73556 54.16558       29.06418 0.1704803      29.59195 31.35314 8.999650 19.39762 8.415405 11.95552       12.32123 
1 1 1 -8  10 46 o 26.76759 7.718551 38.84457       21.33244 39.48285       29.99525 38.19131       30.34505 27.34532 9.336994 27.05923 9.385334 0.2860851      13.23873 
1 1 1 -8  10 47 o 37.43852 6.513730 74.36285       23.00369 49.61077       32.91339 98.00037       32.16383 29.88783 9.772922 42.32993 8.056961 -12.44209      12.66588 
1 1 1 -8  10 48 f 38.78458 9.125057 85.38458       34.05949 120.4000       53.08822 60.89000       44.40210 44.26051 11.96868 32.55055 11.34917 11.70996       16.49403 
1 1 1 -8  10 49 o 56.63479 5.385243 165.2892       29.49464 181.0000       52.41225 158.0082       35.68051 56.21590 9.885781 54.55149 6.831566 1.664410       12.01661 
1 1 1 -8  10 50 o 58.56552 4.414800 174.1890       25.12174 152.2735       34.53260 198.8255       36.61366 53.46520 6.748666 61.57547 6.157251 -8.110271      9.135439 
1 1 1 -8  10 51 o 32.45282 8.001370 59.31024       25.25361 56.34965       31.29200 64.84000       42.76580 31.12529 9.446185 32.80891 11.14983 -1.683617      14.61332 
1 1 1 -8  10 52 o 19.73595 8.016019 12.88399       24.21268 34.85380       29.89103 -29.04000      41.29134 25.60038 9.271504 18.69533 8.794518 6.905050       12.77906 
1 1 1 -8  10 53 o 23.60544 8.546557 28.89780       25.39701 34.57428       30.33718 15.60000       46.43291 25.46361 9.322553 24.50413 10.58616 0.9594765      14.10591 
1 1 1 -8  10 54 o 35.63342 7.549495 71.24743       25.51207 86.28000       42.05543 62.49431       32.09127 36.99394 10.88656 32.30648 9.510557 4.687458       14.45572 
1 1 1 -8  10 55 o 26.91104 8.569259 41.59202       25.41326 47.14000       42.83842 38.57925       31.56813 28.72889 10.96224 26.33612 9.529425 2.392765       14.52517 
1 1 1 -8  10 56 o 57.59060 4.601576 170.5657       25.72405 197.8353       36.73483 144.3269       36.03390 60.85116 6.256449 51.04173 7.430370 9.809429       9.713576 
1 1 1 -8  10 57 o 30.22283 7.817501 52.36697       23.29898 120.4997       34.17069 -6.829034      31.85094 46.25854 7.825446 18.36045 8.299706 27.89809       11.40713 
1 1 1 -8  10 58 f 24.46091 8.068347 33.60578       22.41361 17.61509       32.42761 48.23349       31.01484 22.09390 9.157461 28.44283 9.494633 -6.348934      13.19118 
1 1 1 -8  10 59 o 28.31965 7.979659 46.68052       23.06142 36.97757       33.49736 55.42319       31.79660 25.82061 9.730071 30.07507 9.586203 -4.254459      13.65905 
1 1 1 -8  10 60 o 17.02251 7.330115 3.925359       22.12176 -15.59917      32.06359 21.66200       30.56030 17.14882 7.961829 22.25780 9.018340 -5.108976      12.03001 
1 1 1 -8  10 61 o 22.18650 8.547686 24.96130       26.21547 26.18233       33.32852 22.98000       42.45481 23.32753 9.430152 23.97118 10.23494 -0.6436558     13.91696 
1 1 1 -8  11 1  o 268.8903 6.104008 3542.374       160.6558 3388.000       271.0889 3625.942       199.4550 262.4727 10.57332 271.8658 7.502389 -9.393097      12.96460 
1 1 1 -8  11 2  o 363.6246 9.818887 6493.998       349.1597 6282.000       483.5233 6725.000       504.7319 357.0096 13.86301 369.3784 13.98518 -12.36890      19.69183 
1 1 1 -8  11 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 4  o 665.4758 17.62146 21889.25       1146.827 20480.00       1544.704 23620.00       1711.864 640.6544 24.67904 687.6521 25.47686 -46.99774      35.47006 
1 1 1 -8  11 5  o 447.0038 9.718358 9807.119       425.2167 9268.000       708.6039 10110.50       531.5592 433.0112 16.75012 453.3710 11.98872 -20.35977      20.59845 
1 1 1 -8  11 6  o 686.5312 14.76068 23223.57       991.9113 22720.00       1691.534 23487.47       1224.546 674.0052 25.68661 688.9946 18.17324 -14.98938      31.46536 
1 1 1 -8  11 7  o 540.0440 10.10300 14320.56       534.0549 15033.55       783.0450 13700.46       730.2512 552.1804 14.50025 527.2029 14.16387 24.97754       20.26999 
1 1 1 -8  11 8  o 410.8553 7.765696 8278.211       312.3025 8298.695       443.0350 8257.978       440.3025 410.7935 11.02812 409.7911 10.98688 1.002380       15.56698 
1 1 1 -8  11 9  o 146.6485 3.469387 1052.977       49.80083 1001.727       69.17718 1108.113       71.75135 142.9175 4.952539 150.3280 4.882706 -7.410461      6.954743 
1 1 1 -8  11 10 o 440.5023 8.300693 9522.077       357.9059 9495.913       505.9964 9548.274       506.3143 439.1481 11.78210 440.3638 11.75685 -1.215668      16.64456 
1 1 1 -8  11 11 o 76.44573 3.708851 286.8489       27.66948 290.4428       32.28253 276.9000       53.71217 76.88547 4.306818 74.76487 7.438097 2.120598       8.594997 
1 1 1 -8  11 12 o 298.3469 6.713775 4365.229       196.0625 4222.000       333.8383 4440.644       242.2406 292.5780 11.68052 300.6459 8.239389 -8.067932      14.29412 
1 1 1 -8  11 13 o 112.2762 3.139518 617.7338       34.46914 568.6600       46.92685 675.2340       50.79619 107.6474 4.463285 117.3196 4.431345 -9.672180      6.289494 
1 1 1 -8  11 14 f 398.4464 7.552880 7793.688       294.5701 7751.573       414.8223 7836.525       418.3704 396.6194 10.69494 398.7801 10.72793 -2.160645      15.14828 
1 1 1 -8  11 15 o 141.7778 3.382098 984.4319       46.93542 980.3763       65.83809 988.6230       66.92878 141.3586 4.765079 141.9482 4.824011 -0.5896301     6.780638 
1 1 1 -8  11 16 o 184.7330 3.965513 1671.886       71.70512 1618.023       99.43810 1730.235       103.4963 181.5553 5.602189 187.7475 5.638154 -6.192230      7.948163 
1 1 1 -8  11 17 o 125.0089 3.241526 765.8978       39.63055 726.9809       54.34440 810.1016       57.91827 121.7025 4.570053 128.4777 4.613038 -6.775215      6.493497 
1 1 1 -8  11 18 o 79.90458 3.041693 313.1476       23.74650 280.9173       31.57945 355.0858       36.02276 75.58885 4.285718 85.00747 4.343660 -9.418617      6.102030 
1 1 1 -8  11 19 o 191.4495 4.069696 1796.227       76.26452 1721.622       105.0392 1879.404       110.9087 187.2216 5.738547 195.6132 5.798837 -8.391556      8.158274 
1 1 1 -8  11 20 o 168.6941 3.748829 1394.467       61.90159 1357.555       85.78770 1434.560       89.40868 166.2635 5.278038 170.9105 5.351065 -4.647018      7.516088 
1 1 1 -8  11 21 o 91.05688 3.125263 406.6370       27.81387 387.8621       37.99226 428.3218       40.83041 88.83565 4.382727 93.35642 4.481294 -4.520775      6.268197 
1 1 1 -8  11 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  11 23 o 264.6723 7.487610 3451.270       193.7855 3481.000       277.5722 3423.000       270.6663 264.8918 10.72755 262.7316 10.54628 2.160248       15.04341 
1 1 1 -8  11 24 o 293.3067 6.660011 4231.056       191.2067 4108.000       326.2588 4295.433       235.9794 287.3525 11.62353 295.0529 8.178755 -7.700409      14.21262 
1 1 1 -8  11 25 o 232.4221 6.732459 2660.081       153.0028 0.000000       0.000000 2660.081       153.0028 ?        ?        232.4221 6.732459 ?              ?        
1 1 1 -8  11 26 o 147.9221 4.025711 1073.884       58.23418 933.9000       90.84115 1171.545       75.87566 137.5735 6.766687 154.3887 5.027595 -16.81519      8.429993 
1 1 1 -8  11 27 o 214.7529 4.470064 2263.384       93.96346 2119.436       127.5308 2434.323       138.9742 207.4373 6.288164 222.3030 6.393431 -14.86575      8.967551 
1 1 1 -8  11 28 o 155.8409 3.660289 1191.026       55.83454 1191.848       78.13767 1190.167       79.81290 155.6582 5.135435 155.5305 5.250180 0.1276550      7.344187 
1 1 1 -8  11 29 o 145.8743 4.128232 1045.292       58.88600 1041.556       71.75185 1053.000       103.0603 145.4807 5.046376 145.8565 7.241351 -0.3757629     8.826272 
1 1 1 -8  11 30 o 123.2422 3.862930 746.2218       46.54210 739.1528       56.46669 761.2000       82.19486 122.5409 4.716465 123.9791 6.799166 -1.438225      8.274884 
1 1 1 -8  11 31 o 84.59203 3.804183 352.0550       31.41842 350.9747       37.97208 354.4000       55.94445 84.35788 4.616267 84.38811 6.831171 -0.3022766E-01 8.244684 
1 1 1 -8  11 32 o 76.97183 3.363801 291.3660       25.28241 310.3448       35.29507 271.3653       36.23282 79.28685 4.567181 74.05201 5.028552 5.234840       6.793046 
1 1 1 -8  11 33 o 236.1487 4.830698 2748.833       111.6610 2687.940       155.5903 2813.501       160.3419 232.5917 6.841548 237.9403 6.891768 -5.348679      9.710986 
1 1 1 -8  11 34 o 87.24000 3.307381 374.4813       28.19155 337.9866       37.87599 419.8132       42.21350 82.64335 4.701595 92.13494 4.696300 -9.491592      6.645316 
1 1 1 -8  11 35 o 55.85353 4.058311 154.5152       22.03582 132.1976       29.45373 182.8882       33.21003 51.26146 5.982400 60.47160 5.677021 -9.210140      8.247283 
1 1 1 -8  11 36 o 58.55223 4.058550 169.8813       23.11663 153.0262       30.91116 191.2693       34.82061 55.19049 5.808960 61.76186 5.828771 -6.571369      8.229131 
1 1 1 -8  11 37 o 104.4851 3.368576 538.1714       34.40639 520.2034       47.13030 558.6740       50.34454 102.3706 4.716148 106.0493 4.862907 -3.678711      6.774210 
1 1 1 -8  11 38 o 43.30922 5.678521 95.07933       23.49321 80.58000       34.41193 107.7367       32.15193 38.86601 9.190881 45.62660 7.456482 -6.760590      11.83518 
1 1 1 -8  11 39 o 153.7667 4.307957 1172.431       64.77564 1132.346       77.93369 1262.000       116.4971 150.6139 5.294560 157.4185 7.582845 -6.804596      9.248345 
1 1 1 -8  11 40 o 12.79153 6.105968 -27.35574      21.35715 -33.61933      25.29174 -11.79000      39.87053 13.75971 6.588828 21.11064 9.434944 -7.350925      11.50786 
1 1 1 -8  11 41 o 51.54908 4.573445 133.1412       22.83729 140.2522       31.33052 125.0799       33.35839 52.41686 6.228089 49.14294 7.143929 3.273922       9.477595 
1 1 1 -8  11 42 f 14.87607 6.786573 -12.61934      21.90570 -18.35000      32.41434 -7.801956      29.71946 17.95618 8.215904 18.44501 8.200880 -0.4888382     11.60843 
1 1 1 -8  11 43 o 26.61979 7.543994 37.59120       20.55133 70.59960       28.38188 1.207350       29.79773 36.20022 8.200595 19.77693 8.511664 16.42329       11.81940 
1 1 1 -8  11 44 o 29.75033 7.169996 47.40977       20.63231 39.63688       28.38478 56.11721       30.04274 27.51195 9.079916 31.96245 9.142084 -4.450497      12.88498 
1 1 1 -8  11 45 o 16.24921 6.977178 0.7939776      19.93447 -12.95200      27.38347 16.29148       29.07579 16.73058 7.615281 22.07343 8.848200 -5.342857      11.67404 
1 1 1 -8  11 46 o 65.29967 4.103319 214.1825       26.09464 218.4628       36.77732 209.8429       37.03076 65.11691 5.831736 63.71317 6.008787 1.403748       8.373449 
1 1 1 -8  11 47 o 37.74727 7.401745 77.29218       26.37023 93.04928       32.99480 49.43000       43.87478 40.92109 8.514952 30.38042 11.19638 10.54067       14.06639 
1 1 1 -8  11 48 o 39.77967 6.190573 83.54681       23.32063 109.3573       32.74713 56.98771       33.21864 44.78035 7.751566 31.52670 9.763779 13.25364       12.46668 
1 1 1 -8  11 49 o 52.36166 4.786878 140.0996       24.26311 161.3694       34.41483 119.0792       34.21251 55.30070 6.480622 46.68859 7.758502 8.612114       10.10905 
1 1 1 -8  11 50 o 43.71465 6.653949 102.2490       27.57461 118.9000       50.28784 95.09003       32.97378 43.74658 11.56865 41.08405 8.480750 2.662525       14.34422 
1 1 1 -8  11 51 o 19.51448 8.057007 10.57731       24.96924 4.254000       44.56139 13.47129       30.14636 23.02199 10.14807 21.31212 8.831098 1.709871       13.45257 
1 1 1 -8  11 52 o 30.03071 8.621643 52.19117       26.67158 63.13336       31.99167 27.25000       48.29957 32.58574 9.468977 26.37183 11.07142 6.213907       14.56839 
1 1 1 -8  11 53 o 49.76659 5.882398 131.1137       28.10165 134.1340       35.57296 126.1000       45.83218 49.13699 7.644650 45.25190 10.54365 3.885094       13.02341 
1 1 1 -8  11 54 o 35.78389 8.974796 75.36401       31.37618 85.41000       46.13678 66.72000       42.79650 36.33560 11.54334 32.65120 11.15273 3.684399       16.05092 
1 1 1 -8  11 55 o 17.61210 7.394788 6.765304       21.55099 -16.57562      31.98852 26.16437       29.16255 17.26497 7.993801 23.34636 9.009850 -6.081387      12.04484 
1 1 1 -8  11 56 o 23.94885 8.143618 31.50974       22.81406 58.84137       32.85919 6.072569       31.69995 31.14741 9.721175 20.14090 8.724031 11.00651       13.06178 
1 1 1 -8  11 57 o 42.28938 5.900881 95.60375       23.76191 99.36149       35.03791 92.40370       32.33358 40.99672 8.980375 39.81668 8.551581 1.180042       12.40067 
1 1 1 -8  11 58 o 26.79584 7.988627 41.34858       22.52675 52.62444       32.91718 31.41605       30.89424 29.46835 9.780003 24.53535 9.321947 4.933001       13.51100 
1 1 1 -8  11 59 o 22.43162 8.005527 26.93225       22.19215 -3.242811      32.55792 53.11771       30.32932 18.83960 8.464699 29.51754 9.357037 -10.67794      12.61766 
1 1 1 -8  11 60 o 19.78061 8.196384 13.44396       25.96825 9.923582       32.95550 19.21000       42.17667 20.63222 8.915958 23.52232 10.12509 -2.890099      13.49117 
1 1 1 -8  12 1  o 368.1662 8.111409 6647.774       292.3119 7073.000       528.1065 6459.954       350.9807 378.6634 14.27382 362.6084 9.897958 16.05493       17.36984 
1 1 1 -8  12 2  o 252.9482 5.796142 3134.789       143.5082 3181.000       252.0828 3112.631       174.5552 254.3223 10.14671 251.8862 7.086862 2.436111       12.37656 
1 1 1 -8  12 3  o 714.9032 13.30794 25157.57       931.2457 25938.04       1344.780 24438.46       1290.836 723.5142 19.00528 702.3701 18.79270 21.14410       26.72763 
1 1 1 -8  12 4  o 342.6845 7.585160 5758.291       254.4283 5462.000       425.8759 5922.734       317.2716 332.8712 13.09631 347.2477 9.342874 -14.37656      16.08735 
1 1 1 -8  12 5  o 302.5818 6.784462 4487.921       200.9391 4181.000       333.4745 4662.884       251.7808 291.3665 11.71665 308.1862 8.354180 -16.81973      14.39000 
1 1 1 -8  12 6  o 651.1314 14.02231 20894.92       893.7054 19940.00       1497.965 21422.68       1113.611 631.2720 24.28789 657.8882 17.30823 -26.61621      29.82409 
1 1 1 -8  12 7  o 157.5561 4.200926 1216.581       64.72897 1137.000       112.5267 1255.935       79.13171 152.0688 7.583712 160.0375 5.057876 -7.968689      9.115635 
1 1 1 -8  12 8  o 481.2897 9.030587 11373.46       425.4306 11483.00       606.1004 11267.09       597.2958 482.6396 12.84108 478.0952 12.77492 4.544373       18.11331 
1 1 1 -8  12 9  o 391.5865 8.613542 7528.279       330.1534 7712.829       411.7535 7196.000       552.5007 395.8911 10.63528 381.3951 14.82790 14.49600       18.24763 
1 1 1 -8  12 10 o 446.6445 9.726861 9805.045       425.2467 9800.000       737.6710 9807.555       520.4233 444.2848 16.99403 446.0678 11.92998 -1.783081      20.76347 
1 1 1 -8  12 11 o 359.7846 6.867691 6349.657       241.8575 6387.766       343.7283 6312.288       340.3727 360.3159 9.754958 358.1866 9.717188 2.129272       13.76891 
1 1 1 -8  12 12 o 178.4971 3.871734 1560.545       67.64613 1498.608       93.66185 1628.082       97.80473 174.7654 5.481995 182.1648 5.491428 -7.399445      7.759384 
1 1 1 -8  12 13 o 178.9572 3.875154 1568.706       67.88040 1516.829       94.22116 1624.688       97.87801 175.8140 5.481758 181.9616 5.501717 -6.147675      7.766502 
1 1 1 -8  12 14 o 135.0472 3.331526 893.1882       44.03876 863.3738       61.65651 924.2401       62.92323 132.6425 4.756569 137.2490 4.690663 -4.606552      6.680365 
1 1 1 -8  12 15 o 253.5218 5.044765 3150.968       125.1879 3061.368       173.8403 3247.489       180.4283 249.5805 7.123250 257.0531 7.177958 -7.472641      10.11256 
1 1 1 -8  12 16 o 109.0468 3.091683 582.8393       32.96671 532.9673       44.71235 642.2449       48.79921 104.1902 4.394106 114.3932 4.366210 -10.20298      6.194510 
1 1 1 -8  12 17 o 290.5643 5.672970 4142.147       161.3463 3931.925       220.2858 4385.450       236.9844 282.6476 7.970193 298.4848 8.118857 -15.83722      11.37716 
1 1 1 -8  12 18 o 262.3625 5.201406 3376.215       133.5761 3252.711       184.3623 3512.688       193.8012 257.1388 7.332332 267.2095 7.416835 -10.07074      10.42941 
1 1 1 -8  12 19 o 28.01377 5.380917 39.80043       14.21868 47.78713       17.20964 22.62309       25.23862 30.68223 5.945051 23.55990 8.521271 7.122324       10.39017 
1 1 1 -8  12 20 o 151.6953 4.013049 1128.696       59.53485 1045.000       94.88473 1183.041       76.45792 145.6695 6.672313 155.2099 5.039333 -9.540390      8.361498 
1 1 1 -8  12 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  12 22 o 212.7273 6.306466 2225.896       131.1703 2451.000       199.0145 2053.000       174.4157 222.6283 9.152196 203.8102 8.763334 18.81804       12.67118 
1 1 1 -8  12 23 o 107.4043 3.865653 566.2319       40.57345 530.6000       73.61162 581.7808       48.62679 103.5650 7.308448 108.8077 4.575939 -5.242722      8.622797 
1 1 1 -8  12 24 o 271.4316 7.635143 3633.003       202.6526 0.000000       0.000000 3633.003       202.6526 ?        ?        271.4316 7.635143 ?              ?        
1 1 1 -8  12 25 o 165.3747 5.337222 1344.654       86.28227 0.000000       0.000000 1344.654       86.28227 ?        ?        165.3747 5.337222 ?              ?        
1 1 1 -8  12 26 o 162.0592 4.382782 1289.686       69.45936 1183.000       119.0257 1344.781       85.53416 154.6160 7.890755 165.3613 5.291260 -10.74525      9.500603 
1 1 1 -8  12 27 o 222.1163 5.353720 2424.736       116.3971 2174.000       191.6047 2571.388       146.5349 209.2099 9.380452 228.4019 6.561233 -19.19196      11.44739 
1 1 1 -8  12 28 o 107.4427 3.235094 566.4681       33.98405 560.6444       46.17989 573.3477       50.19180 106.7654 4.428534 107.9289 4.762772 -1.163460      6.503531 
1 1 1 -8  12 29 o 176.5964 3.927131 1530.676       67.88336 1517.618       94.91322 1544.352       97.12824 175.5091 5.531761 177.0326 5.612225 -1.523499      7.880193 
1 1 1 -8  12 30 o 208.9079 4.397438 2144.721       89.92095 2208.585       128.8845 2084.151       125.5172 211.4689 6.233359 205.4152 6.249856 6.053696       8.826974 
1 1 1 -8  12 31 o 124.5514 4.517023 764.0738       54.97780 737.3000       72.58683 800.1000       84.20004 122.0281 6.096343 126.9552 6.800541 -4.927071      9.133059 
1 1 1 -8  12 32 o 122.7517 3.849134 741.3212       46.19125 716.2953       55.47413 797.9000       83.41079 120.5022 4.712238 126.6800 6.751173 -6.177773      8.233075 
1 1 1 -8  12 33 o 136.0019 3.998224 910.9221       53.16754 908.5383       64.44967 916.0000       94.06680 135.6216 4.862833 135.4716 7.118834 0.1499939      8.621191 
1 1 1 -8  12 34 o 132.6042 3.438327 865.1421       44.59067 842.9450       61.71430 889.3878       64.49932 130.5534 4.837747 134.0817 4.922857 -3.528336      6.902052 
1 1 1 -8  12 35 o 43.40881 4.677842 94.16928       19.56261 95.37163       25.39402 92.41412       30.68135 43.36864 6.154692 42.28794 7.695698 1.080704       9.854136 
1 1 1 -8  12 36 o 48.88898 4.426231 119.0866       20.95198 114.3056       27.28034 125.9627       32.71598 47.53704 5.996009 49.68708 6.913855 -2.150036      9.151694 
1 1 1 -8  12 37 o 76.52195 3.460650 289.1667       25.85381 293.0519       35.06218 284.5369       38.27425 76.75092 4.689505 75.47946 5.212512 1.271461       7.011544 
1 1 1 -8  12 38 o 71.98428 4.045961 257.0375       28.39318 264.4895       34.36236 241.0000       50.40968 72.81374 4.848921 68.52818 7.645236 4.285568       9.053268 
1 1 1 -8  12 39 o 11.82156 5.647421 -24.03555      18.34632 -18.79678      23.45187 -32.29834      29.45277 14.70948 6.822371 15.47589 7.324610 -0.7664061     10.00973 
1 1 1 -8  12 40 o 31.12720 7.548730 51.32663       22.75990 49.75874       27.00622 55.17000       42.28254 30.58096 8.641603 32.69721 11.08695 -2.116253      14.05695 
1 1 1 -8  12 41 o 29.34199 7.744931 45.78364       22.56581 58.00000       33.56350 35.70613       30.48405 32.79984 9.744459 27.03249 9.405043 5.767345       13.54287 
1 1 1 -8  12 42 o 33.43135 6.798922 58.78966       21.48994 42.44465       28.79590 79.33588       32.28525 28.49088 9.127088 38.28163 8.800390 -9.790743      12.67875 
1 1 1 -8  12 43 o 18.55188 7.423885 10.09158       20.43237 24.82328       27.76078 -7.322308      30.18235 23.82227 8.882437 18.55865 8.257168 5.263618       12.12759 
1 1 1 -8  12 44 o 31.58417 6.915542 53.27464       20.78584 66.26524       28.85730 39.26737       29.96524 34.72635 8.548077 27.47246 9.333204 7.253887       12.65616 
1 1 1 -8  12 45 o 30.58413 7.221957 50.65783       21.27194 56.22581       29.27730 44.43172       30.95924 31.73118 9.008177 28.64030 9.483973 3.090872       13.08025 
1 1 1 -8  12 46 o 23.21273 8.357658 26.09745       24.24513 10.03936       30.01121 56.27000       41.13794 20.98920 8.763504 31.68063 10.93062 -10.69143      14.00990 
1 1 1 -8  12 47 o 36.91613 6.428288 72.42628       22.38480 88.92380       31.25996 55.06339       32.06934 40.08236 8.243016 31.13124 9.585105 8.951118       12.64206 
1 1 1 -8  12 48 o 45.52145 5.340946 107.1382       23.34591 109.7601       32.35098 104.2890       33.72399 44.90676 7.632753 43.40104 8.239666 1.505726       11.23170 
1 1 1 -8  12 49 o 22.35426 7.865757 25.20154       21.35928 17.02735       29.51465 34.18987       30.94958 21.94116 8.872590 25.78728 9.420119 -3.846121      12.94069 
1 1 1 -8  12 50 o 23.32350 7.874622 28.77493       21.32927 50.23759       30.34621 7.819738       29.98531 29.55791 9.358383 20.30837 8.633965 9.249535       12.73282 
1 1 1 -8  12 51 o 47.67398 6.103025 120.4009       27.82722 122.7709       33.37882 115.0000       50.38889 47.30680 7.454948 42.46817 11.73296 4.838634       13.90103 
1 1 1 -8  12 52 o 22.44237 8.446024 24.28844       25.22144 28.88000       47.44439 22.47973       29.77754 26.42902 11.02549 22.78131 9.012345 3.647713       14.24021 
1 1 1 -8  12 53 o 58.99430 6.310566 185.7902       35.87512 0.000000       0.000000 185.7902       35.87512 ?        ?        58.99430 6.310566 ?              ?        
1 1 1 -8  12 54 o 24.79739 8.039878 34.37218       22.29997 9.140093       32.69918 56.31059       30.49038 20.88299 8.950889 30.71922 9.324708 -9.836237      12.92550 
1 1 1 -8  12 55 f 14.90465 6.927958 -15.82836      24.38616 -12.80081      31.33272 -20.48000      38.83785 17.48548 8.029195 18.66868 8.699571 -1.183201      11.83852 
1 1 1 -8  12 56 o 21.36649 8.380424 19.99826       25.55332 43.36577       32.48161 -17.95000      41.39303 27.39058 9.694383 19.51535 9.055653 7.875223       13.26597 
1 1 1 -8  12 57 o 48.87010 6.116512 128.1513       28.61958 150.7703       36.31771 91.09000       46.48814 52.12337 7.319781 36.98288 11.56582 15.14050       13.68749 
1 1 1 -8  12 58 o 24.78744 7.911919 34.89126       21.65360 14.28413       32.58474 51.18819       28.97734 21.50107 9.064019 29.20339 9.131109 -7.702322      12.86599 
1 1 1 -8  12 59 o 23.29598 7.734918 30.45143       20.58942 34.58629       23.63123 17.42000       41.95195 24.59667 8.288661 23.39811 10.08509 1.198565       13.05415 
1 1 1 -8  12 60 o 21.00479 8.039045 21.71799       23.08319 21.71799       23.08319 0.000000       0.000000 21.00479 8.039045 ?        ?        ?              ?        
1 1 1 -8  13 1  o 363.9589 9.869441 6511.448       351.2773 5982.000       469.0001 7188.000       530.1664 348.1059 13.79163 381.5345 14.22109 -33.42853      19.81032 
1 1 1 -8  13 2  o 302.8240 6.800359 4495.888       201.5711 4389.218       243.1952 4730.000       360.2841 298.9659 8.318588 309.8263 11.90225 -10.86041      14.52110 
1 1 1 -8  13 3  o 169.7691 5.267894 1413.429       87.43316 1398.000       125.4559 1428.000       121.9183 168.6519 7.619325 170.4828 7.323115 -1.830902      10.56798 
1 1 1 -8  13 4  o 227.1257 4.612519 2526.818       102.5441 2433.755       142.5332 2626.668       147.6401 222.7136 6.545377 231.3810 6.525358 -8.667480      9.242416 
1 1 1 -8  13 5  o 247.7863 5.723995 3008.925       138.8298 2800.000       231.6448 3126.031       173.4271 238.5030 9.944347 252.3794 7.027156 -13.87643      12.17666 
1 1 1 -8  13 6  o 555.3918 12.00900 15189.20       652.8488 15380.00       1140.834 15096.29       796.0842 554.9996 21.03829 552.6500 14.72957 2.349609       25.68209 
1 1 1 -8  13 7  o 68.88202 3.902175 233.1145       26.20227 114.7000       53.76409 270.0011       30.00706 47.33801 11.67681 74.13108 4.151986 -26.79308      12.39302 
1 1 1 -8  13 8  o 158.2457 5.292238 1228.541       81.85893 1180.000       115.2275 1278.000       116.3122 154.8799 7.624154 161.2218 7.390125 -6.341904      10.61799 
1 1 1 -8  13 9  o 71.66980 3.870388 252.3074       27.05096 171.6000       53.85041 279.5468       31.28462 58.29654 9.783378 75.42373 4.254821 -17.12719      10.66855 
1 1 1 -8  13 10 o 125.7467 3.239740 774.8092       39.84292 739.5233       56.04175 810.8729       56.65607 122.7659 4.672196 128.5708 4.508901 -5.804878      6.493042 
1 1 1 -8  13 11 o 131.0584 3.263082 841.1328       41.85999 846.5308       59.86731 835.9694       58.55252 131.3551 4.663651 130.5373 4.589667 0.8178864      6.543293 
1 1 1 -8  13 12 o 267.5735 5.278259 3509.856       138.2420 3536.547       196.9440 3483.931       194.0946 268.2557 7.507838 266.2589 7.454710 1.996765       10.58018 
1 1 1 -8  13 13 o 284.2242 5.561376 3961.566       154.7211 3861.068       215.6042 4068.269       222.1605 280.2067 7.868696 287.6275 7.898445 -7.420807      11.14907 
1 1 1 -8  13 14 o 162.3551 3.640591 1291.246       57.85543 1261.734       80.92416 1322.102       82.74614 160.3317 5.163203 164.1268 5.157048 -3.795151      7.297521 
1 1 1 -8  13 15 o 67.34473 3.085471 222.5862       20.28504 193.2033       27.06322 260.2590       30.64408 62.62774 4.443613 72.74486 4.323158 -10.11712      6.199628 
1 1 1 -8  13 16 o 57.40091 3.309026 161.9279       18.51316 163.1686       24.63643 160.3186       28.05941 57.52888 4.408668 56.95108 5.087006 0.5778008      6.731565 
1 1 1 -8  13 17 o 103.8558 3.065831 528.7529       31.13217 500.7240       42.44698 561.3832       45.79890 100.9801 4.304294 106.9259 4.385189 -5.945793      6.144659 
1 1 1 -8  13 18 f 168.1318 3.730737 1385.216       61.39751 1300.387       83.80856 1483.481       90.20190 162.7170 5.268926 173.8019 5.308409 -11.08487      7.479357 
1 1 1 -8  13 19 o 242.4367 4.871408 2883.015       115.6003 2840.255       161.7223 2927.690       165.3036 240.2669 6.883634 243.9313 6.930250 -3.664429      9.767946 
1 1 1 -8  13 20 o 98.63197 3.438587 477.2561       33.14661 452.5616       39.59482 535.1000       60.59920 95.98312 4.224765 104.2088 5.965886 -8.225662      7.310296 
1 1 1 -8  13 21 o 160.2557 4.318962 1260.286       67.68662 1458.000       130.0774 1186.873       79.26305 171.8852 7.751328 155.4174 5.217723 16.46782       9.343861 
1 1 1 -8  13 22 o 168.2113 3.746291 1386.950       61.68262 1305.423       84.07111 1482.006       90.77940 162.9837 5.276782 173.6590 5.346895 -10.67525      7.512237 
1 1 1 -8  13 23 o 185.7636 4.570560 1692.971       83.10676 1582.000       134.6703 1761.225       105.6163 179.0120 7.703731 189.2583 5.707767 -10.24628      9.587809 
1 1 1 -8  13 24 o 176.0415 5.518006 1523.969       94.96574 0.000000       0.000000 1523.969       94.96574 ?        ?        176.0415 5.518006 ?              ?        
1 1 1 -8  13 25 o 135.7335 4.054289 904.5004       53.80477 867.9000       95.23006 921.6627       65.21060 132.4755 7.373081 136.9218 4.873407 -4.446274      8.838122 
1 1 1 -8  13 26 o 97.58947 3.989128 467.9557       38.02513 342.4000       68.10731 524.8175       45.83378 82.78307 8.526995 103.2999 4.544055 -20.51682      9.662198 
1 1 1 -8  13 27 o 105.3828 3.983885 545.7025       41.02040 470.5000       73.44772 579.7933       49.45160 97.26730 7.779249 108.5503 4.665067 -11.28304      9.070808 
1 1 1 -8  13 28 o 132.9466 4.085216 868.4604       53.09856 835.7000       94.65356 883.5042       64.14182 129.8067 7.481305 133.9788 4.899263 -4.172134      8.942746 
1 1 1 -8  13 29 o 179.2872 4.656983 1581.251       81.65681 1617.000       146.6649 1565.192       98.30176 180.2976 8.333091 178.1605 5.644065 2.137131       10.06458 
1 1 1 -8  13 30 o 183.1617 4.007112 1648.218       71.84100 1696.657       102.9002 1602.155       100.3450 185.3911 5.677187 180.1436 5.697932 5.247528       8.043437 
1 1 1 -8  13 31 o 185.7974 4.043276 1697.093       73.53248 1700.359       103.7429 1693.796       104.2402 185.4744 5.721210 185.1033 5.760279 0.3710327      8.118686 
1 1 1 -8  13 32 o 72.86343 3.966143 261.9139       28.18017 287.3861       33.13280 195.3000       53.58064 76.25717 4.458303 61.73227 9.143322 14.52490       10.17235 
1 1 1 -8  13 33 o 93.46491 3.675633 430.3594       33.56135 467.7934       41.09573 355.4000       58.15361 97.33098 4.324392 84.13281 7.128672 13.19817       8.337765 
1 1 1 -8  13 34 o 125.7279 3.893850 779.4413       47.86229 793.8802       58.27106 749.5000       83.91136 126.6716 4.707860 122.2580 7.041715 4.413620       8.470520 
1 1 1 -8  13 35 o 144.2578 4.122963 1027.754       58.15796 997.7029       69.49323 1098.000       106.2486 141.8252 5.013794 147.6660 7.374164 -5.840805      8.917199 
1 1 1 -8  13 36 o 74.79840 3.456611 276.2416       25.23906 264.4646       33.58303 291.5269       38.25925 72.90240 4.731779 76.44494 5.142995 -3.542534      6.988571 
1 1 1 -8  13 37 o 85.33560 3.710156 360.0896       30.91645 361.3141       37.52033 357.5000       54.56470 85.27281 4.511259 84.07114 6.685717 1.201675       8.065374 
1 1 1 -8  13 38 o 75.45434 3.498539 281.5481       25.76875 297.8775       35.13993 262.5513       37.90159 77.31067 4.665315 72.34298 5.391239 4.967690       7.129560 
1 1 1 -8  13 39 o 22.71694 7.461126 25.49441       19.17450 48.09664       24.58056 -9.636526      30.64510 30.10275 8.145755 18.56708 8.286731 11.53567       11.61995 
1 1 1 -8  13 40 o 49.65672 4.900126 124.0696       23.50716 145.6000       35.29843 106.9113       31.51128 53.14791 6.951674 45.27880 7.362637 7.869110       10.12592 
1 1 1 -8  13 41 o 51.81261 4.986682 135.3495       24.97828 119.3425       30.60215 167.3000       43.23505 48.05969 6.686058 56.44246 8.053862 -8.382774      10.46748 
1 1 1 -8  13 42 o 37.61588 5.854799 73.01678       20.85587 81.38956       28.87325 63.88231       30.15800 39.05733 7.825353 34.22756 8.914591 4.829777       11.86196 
1 1 1 -8  13 43 o 23.44609 7.569106 28.21327       19.77786 16.68353       27.48164 40.60080       28.48560 21.89926 8.659664 27.76775 9.092550 -5.868488      12.55644 
1 1 1 -8  13 44 o 51.09467 4.566345 131.9890       22.59714 148.6441       32.05266 115.5308       31.86255 53.54301 6.232174 46.68488 7.204204 6.858131       9.525784 
1 1 1 -8  13 45 o 35.04934 7.463008 66.69197       24.81796 72.25311       30.22369 55.18000       43.48511 35.98434 8.681496 31.62948 11.21474 4.354860       14.18234 
1 1 1 -8  13 46 o 27.99459 7.372018 42.83425       20.47584 40.97303       29.17323 44.64135       28.74592 27.51086 9.208891 28.44549 9.119831 -0.9346256     12.96052 
1 1 1 -8  13 47 o 70.96327 3.767438 252.4648       26.07516 279.2781       37.37252 227.0310       36.39845 73.86720 5.202125 66.29690 5.663151 7.570297       7.689823 
1 1 1 -8  13 48 o 45.67600 5.075336 107.4315       22.30861 106.8780       31.41592 107.9945       31.68408 44.32294 7.509084 44.54331 7.535396 -0.2203636     10.63807 
1 1 1 -8  13 49 o 36.96846 6.005877 72.42713       20.98750 84.20629       29.88821 60.96935       29.47766 38.80259 8.129919 32.55321 8.966362 6.249386       12.10336 
1 1 1 -8  13 50 o 33.72942 7.601214 63.36232       24.49267 74.92483       30.09917 40.70000       42.13865 36.18755 8.620914 28.05236 10.82924 8.135189       13.84170 
1 1 1 -8  13 51 o 15.50574 6.812055 -1.645779      19.92417 32.73857       29.06846 -32.11357      27.36290 24.97477 9.128404 14.26027 6.835116 10.71450       11.40380 
1 1 1 -8  13 52 o 30.03646 7.946351 51.57623       23.72019 15.71000       41.36849 69.14388       28.95234 23.60880 10.09229 34.46585 8.608121 -10.85704      13.26477 
1 1 1 -8  13 53 o 18.25236 7.388277 10.96637       20.48860 9.909959       31.07408 11.77885       27.25131 20.68260 8.791050 20.12901 8.373350 0.5535908      12.14066 
1 1 1 -8  13 54 o 31.04505 8.131227 55.69549       24.99806 82.22000       50.02592 46.86803       28.85954 35.15747 12.05660 28.26731 9.144730 6.890165       15.13234 
1 1 1 -8  13 55 o 20.42396 8.091640 17.07456       24.03685 -15.33000      46.31801 29.01800       28.11975 20.85622 9.643377 23.78665 8.925293 -2.930429      13.13985 
1 1 1 -8  13 56 o 16.29911 7.256199 -3.344344      23.34402 -11.00000      45.47526 -0.6051809     27.20150 21.06793 9.673771 17.91410 7.911222 3.153833       12.49677 
1 1 1 -8  13 57 o 28.91308 8.685371 49.44843       26.55114 58.73698       33.41517 33.54000       43.73040 30.89441 9.824866 26.23088 10.72801 4.663532       14.54711 
1 1 1 -8  13 58 o 20.26878 8.248837 15.46697       25.69979 21.03656       32.11513 5.549000       42.85576 22.51048 9.198458 22.13844 9.845183 0.3720341      13.47365 
1 1 1 -8  13 59 o 21.86842 9.263509 16.03949       34.30528 16.03949       34.30528 0.000000       0.000000 21.86842 9.263509 ?        ?        ?              ?        
1 1 1 -8  13 60 o 27.30124 8.167237 44.48224       23.51431 62.40336       28.27857 4.325000       42.33084 31.89833 8.780577 21.55382 9.670630 10.34451       13.06215 
1 1 1 -8  14 1  o 481.8537 10.49472 11419.67       494.9853 11082.06       594.8143 12180.00       892.6309 473.9294 12.83399 494.7587 18.46438 -20.82935      22.48654 
1 1 1 -8  14 2  o 435.0363 9.511319 9300.488       405.0163 9890.844       518.0131 8372.000       649.6395 447.9794 11.82378 410.8549 16.18558 37.12445       20.04432 
1 1 1 -8  14 3  o 324.4039 7.236245 5162.901       229.7764 5206.136       283.4300 5080.000       392.4695 325.4377 8.905951 320.7815 12.52350 4.656158       15.36730 
1 1 1 -8  14 4  o 221.4118 4.528335 2401.575       98.13987 2342.406       137.6833 2462.688       139.9253 218.4649 6.445681 224.0139 6.387907 -5.549088      9.074808 
1 1 1 -8  14 5  o 320.2205 6.183013 5027.784       193.8008 4864.191       268.5247 5205.640       279.9857 314.5599 8.729610 325.4100 8.798273 -10.85007      12.39418 
1 1 1 -8  14 6  o 372.1656 8.205434 6801.553       298.9124 6868.288       368.9109 6674.000       510.0238 373.5303 10.09923 367.1617 14.21833 6.368561       17.44005 
1 1 1 -8  14 7  o 183.3254 5.690928 1649.178       101.9966 1521.000       139.3705 1797.000       149.6694 175.8030 8.121068 191.1324 8.017855 -15.32947      11.41218 
1 1 1 -8  14 8  o 158.9039 5.237461 1238.978       81.35194 1188.000       113.9346 1292.000       116.1968 155.3822 7.513415 162.0746 7.343491 -6.692413      10.50611 
1 1 1 -8  14 9  o 66.81667 3.733049 219.3531       24.31782 210.5000       51.16209 221.9370       27.63957 64.94337 8.233111 67.17371 4.225043 -2.230339      9.253924 
1 1 1 -8  14 10 o 186.0904 3.974054 1696.458       72.38755 1636.029       101.0511 1760.152       103.7450 182.5682 5.661545 189.3791 5.602818 -6.810898      7.965216 
1 1 1 -8  14 11 o 22.94471 6.082101 26.74290       13.87869 55.18822       21.85134 7.508790       17.96837 32.90789 6.999248 17.50695 6.976506 15.40094       9.882363 
1 1 1 -8  14 12 o 85.49894 3.042552 358.4463       25.42214 335.2113       36.13245 381.2237       35.77488 82.58136 4.486871 88.10703 4.159964 -5.525665      6.118604 
1 1 1 -8  14 13 o 371.5784 8.198599 6790.665       298.1922 6605.000       507.8834 6888.336       368.3684 364.3896 14.26698 373.6396 10.08139 -9.250031      17.46943 
1 1 1 -8  14 14 o 194.3355 4.099164 1850.719       77.97467 1866.421       111.1328 1835.494       109.4325 194.9432 5.830643 193.3246 5.789521 1.618561       8.216748 
1 1 1 -8  14 15 o 246.3019 4.930028 2974.838       118.8566 2971.857       168.2821 2977.805       167.8959 245.8356 7.000507 246.0855 6.977283 -0.2499542     9.883803 
1 1 1 -8  14 16 o 108.3942 3.105368 575.9747       32.91375 540.9513       45.38405 614.8331       47.80436 104.9522 4.427742 111.9063 4.372637 -6.954117      6.222930 
1 1 1 -8  14 17 o 77.09874 3.434062 291.8089       25.85059 251.2490       30.99973 384.4000       46.83758 71.44657 4.454887 88.33817 5.443198 -16.89159      7.033806 
1 1 1 -8  14 18 o 17.84977 6.325690 13.51182       13.83344 33.10838       15.62843 -57.40000      29.72931 25.46081 6.304552 13.63923 6.672524 11.82159       9.179866 
1 1 1 -8  14 19 f 150.6501 4.050334 1113.400       59.67222 1034.765       70.81364 1306.000       110.8248 145.1371 4.992055 162.8065 6.970522 -17.66949      8.573727 
1 1 1 -8  14 20 o 95.54890 5.065534 449.2849       47.20659 425.9000       68.36167 470.6000       65.26625 92.69543 7.601096 97.57490 6.877578 -4.879471      10.25074 
1 1 1 -8  14 21 o 153.8482 4.240180 1161.613       63.79235 1287.000       120.7535 1113.072       75.13232 161.4552 7.662714 150.5023 5.107485 10.95285       9.208886 
1 1 1 -8  14 22 o 225.8595 5.294565 2504.819       117.0509 2276.000       187.9516 2649.792       149.6042 214.4581 8.973425 232.0023 6.594566 -17.54424      11.13601 
1 1 1 -8  14 23 o 123.5356 4.707670 750.0522       56.82100 0.000000       0.000000 750.0522       56.82100 ?        ?        123.5356 4.707670 ?              ?        
1 1 1 -8  14 24 o 285.7933 6.523160 4020.679       182.4804 4018.000       318.1914 4021.992       222.7515 283.7635 11.47950 285.3209 7.983768 -1.557434      13.98283 
1 1 1 -8  14 25 o 223.2505 5.360584 2449.447       117.1415 2225.000       194.7602 2576.665       146.6287 211.6586 9.424286 228.6469 6.558378 -16.98831      11.48170 
1 1 1 -8  14 26 o 280.4025 6.445126 3873.980       176.8966 3426.000       285.5775 4152.885       225.3322 261.7177 11.17339 289.7087 7.953651 -27.99103      13.71515 
1 1 1 -8  14 27 o 92.68896 3.114762 421.6723       28.21901 376.7031       36.88337 485.1565       43.82335 87.48068 4.320740 99.28034 4.521449 -11.79966      6.253983 
1 1 1 -8  14 28 o 138.8722 4.107388 947.9017       55.77118 960.4000       101.5688 942.5068       66.73122 139.1021 7.487276 138.3452 4.935773 0.7568970      8.967784 
1 1 1 -8  14 29 o 64.74786 4.660073 207.2670       29.33658 180.6000       58.84888 216.0854       33.84135 59.15800 10.54991 66.02543 5.280345 -6.867428      11.79757 
1 1 1 -8  14 30 o 56.54315 4.929415 158.6584       27.00988 149.7000       55.55540 161.4313       30.90873 53.54416 10.96922 56.92263 5.620683 -3.378464      12.32541 
1 1 1 -8  14 31 o 116.0882 3.972735 663.5770       45.07579 716.5000       85.87111 643.4479       52.95874 119.7703 7.360280 114.1628 4.749592 5.607513       8.759700 
1 1 1 -8  14 32 o 83.16880 4.204351 341.5556       34.11573 293.8000       63.46158 360.9661       40.45925 75.99274 8.687573 85.38009 4.861310 -9.387352      9.955214 
1 1 1 -8  14 33 o 47.44921 4.156299 111.8098       19.10904 111.1189       24.61055 112.8586       30.32363 47.05869 5.443109 47.12271 6.768199 -0.6402206E-01 8.685388 
1 1 1 -8  14 34 o 135.6050 4.054339 907.6981       53.75442 868.8954       64.24220 998.3000       98.16530 132.3898 4.966268 140.9792 7.136937 -8.589355      8.694808 
1 1 1 -8  14 35 o 54.36002 4.552820 147.2241       24.00282 121.9999       27.25156 234.5000       50.69091 49.16981 5.771996 67.72115 7.788806 -18.55135      9.694403 
1 1 1 -8  14 36 o 137.9396 4.929435 945.9945       66.44977 945.9945       66.44977 0.000000       0.000000 137.9396 4.929435 ?        ?        ?              ?        
1 1 1 -8  14 37 o 65.12994 4.292623 210.9862       27.21332 229.5725       31.94381 161.8000       51.96508 67.80476 4.844977 55.01381 10.01915 12.79096       11.12912 
1 1 1 -8  14 38 o 17.42803 7.436480 1.030030       22.38706 16.31000       26.03842 -42.28000      43.83769 21.74965 8.480311 19.16504 9.029749 2.584606       12.38758 
1 1 1 -8  14 39 o 66.37923 4.059380 219.1600       26.24922 245.9000       39.77536 198.5294       34.93742 69.73331 5.882100 62.65189 5.761526 7.081425       8.233728 
1 1 1 -8  14 40 o 34.53596 6.067258 61.77272       19.76214 69.68756       27.10279 52.78753       28.87731 36.17183 7.878435 31.35063 8.961698 4.821196       11.93238 
1 1 1 -8  14 41 o 33.78250 6.303507 59.53118       20.07748 59.28205       27.88642 59.79931       28.93001 33.11414 8.546020 33.21659 8.770121 -0.1024551     12.24539 
1 1 1 -8  14 42 o 59.86484 4.779601 180.5754       27.77476 193.8901       35.41500 159.3000       44.76729 61.57403 5.950063 54.45423 8.690887 7.119801       10.53256 
1 1 1 -8  14 43 o 27.80972 7.558120 41.73257       21.10739 108.9243       31.86576 -10.79444      28.17460 45.25360 7.453150 17.32432 7.821056 27.92928       10.80363 
1 1 1 -8  14 44 o 15.93911 7.205403 -9.685809      24.00805 -14.72099      29.47902 0.2320000      41.37264 17.15562 7.844117 22.36863 9.822006 -5.213003      12.56988 
1 1 1 -8  14 45 o 63.91303 4.044736 205.2661       25.17401 223.6873       37.03383 189.4427       34.32334 65.84673 5.805290 60.52865 5.866729 5.318081       8.253478 
1 1 1 -8  14 46 o 36.59032 6.283219 70.97833       21.69334 77.96297       31.55104 64.71585       29.87551 37.17393 8.807047 33.79432 8.907384 3.379612       12.52620 
1 1 1 -8  14 47 o 79.22422 3.655816 314.2306       28.27328 346.8883       41.69011 286.4196       38.47235 82.32005 5.200518 74.71441 5.294940 7.605637       7.421710 
1 1 1 -8  14 48 o 71.28342 3.790583 255.2958       26.35339 324.6204       39.72971 200.8287       35.21587 79.57577 5.127982 62.07727 5.865154 17.49850       7.790778 
1 1 1 -8  14 49 o 49.59526 5.726774 128.7032       27.29071 175.1030       35.19652 58.75000       43.21614 57.52471 6.356762 31.54687 11.18053 25.97783       12.86129 
1 1 1 -8  14 50 o 41.76780 5.582782 91.61583       22.25330 131.5247       34.09066 61.98418       29.37505 49.07433 7.320583 32.63763 8.935312 16.43670       11.55122 
1 1 1 -8  14 51 o 28.92564 8.156604 47.97319       24.08604 62.58000       45.92243 42.43007       28.28946 31.83447 11.49701 27.24030 9.067275 4.594177       14.64229 
1 1 1 -8  14 52 o 19.38457 7.560124 15.52302       20.69854 -11.02794      32.22743 34.16550       27.00457 17.98952 8.216371 24.99132 8.839893 -7.001801      12.06866 
1 1 1 -8  14 53 o 50.09372 4.872415 129.9224       23.58947 197.1226       37.59679 86.29115       30.29454 60.64362 6.431669 38.79685 8.232571 21.84676       10.44709 
1 1 1 -8  14 54 o 13.91161 6.423120 -12.23370      20.44115 -18.02622      33.15701 -8.682439      25.96168 17.40709 8.086768 16.37679 7.438854 1.030298       10.98783 
1 1 1 -8  14 55 o 35.31306 7.956014 71.52989       26.83851 57.98914       34.25685 93.05000       43.18653 30.79307 9.963337 38.01941 10.98802 -7.226341      14.83256 
1 1 1 -8  14 56 o 66.98598 4.357830 229.8909       28.41820 242.9292       34.21692 200.9000       51.02261 68.26369 5.159072 58.35115 9.240678 9.912548       10.58330 
1 1 1 -8  14 57 o 23.42010 7.993179 30.22749       21.98206 38.71460       25.64404 6.713000       42.68491 25.93111 8.632957 22.35547 9.889683 3.575642       13.12760 
1 1 1 -8  14 58 o 19.60815 8.071947 13.21398       24.96432 13.21398       24.96432 0.000000       0.000000 19.60815 8.071947 ?        ?        ?              ?        
1 1 1 -8  14 59 o 25.94725 8.196654 39.76151       23.29148 38.45963       27.43693 43.12000       44.06778 25.54446 8.920358 27.18463 10.89442 -1.640165      14.08052 
1 1 1 -8  15 1  o 254.3125 5.877661 3171.104       146.3115 3266.592       183.8147 3006.000       241.7044 257.8835 7.289309 246.9718 10.01921 10.91176       12.39026 
1 1 1 -8  15 2  o 262.8130 7.413388 3393.061       190.5178 3116.000       256.0002 3737.000       285.2293 251.3801 10.42671 275.2965 10.60474 -23.91644      14.87202 
1 1 1 -8  15 3  o 285.7876 7.958998 4014.137       222.4256 3818.000       305.3028 4236.000       324.7080 278.1281 11.23764 292.9575 11.34498 -14.82944      15.96850 
1 1 1 -8  15 4  o 300.0252 6.760635 4416.677       198.5415 4603.408       250.1783 4099.000       326.3127 305.9835 8.360891 288.0969 11.59517 17.88654       14.29519 
1 1 1 -8  15 5  o 310.2030 6.970944 4722.528       211.6624 4513.252       251.6934 5228.000       391.1653 302.9304 8.496733 325.2014 12.31081 -22.27100      14.95829 
1 1 1 -8  15 6  o 137.2006 4.617809 923.4772       61.92682 0.000000       0.000000 923.4772       61.92682 ?        ?        137.2006 4.617809 ?              ?        
1 1 1 -8  15 7  o 253.0036 5.038810 3137.677       124.7846 3122.445       176.9450 3152.748       176.0028 252.0850 7.178398 253.3164 7.105250 -1.231400      10.10020 
1 1 1 -8  15 8  o 12.57663 5.622673 -6.275863      14.17206 -71.93000      43.22494 1.631828       15.00128 17.19460 8.328094 14.77346 6.184029 2.421135       10.37301 
1 1 1 -8  15 9  o 237.7653 5.532933 2772.493       128.7686 2645.000       219.1362 2839.734       159.1430 231.5420 9.690344 240.4137 6.769473 -8.871674      11.82068 
1 1 1 -8  15 10 o 168.0331 4.312161 1384.595       70.86586 1322.000       123.3018 1415.470       86.59711 163.8290 7.710682 169.8206 5.215811 -5.991592      9.309098 
1 1 1 -8  15 11 o 67.47408 3.090814 223.4426       20.35921 226.9549       30.76287 220.7053       27.15754 67.88411 4.657927 66.98166 4.162747 0.9024506      6.246979 
1 1 1 -8  15 12 o 226.0785 4.608229 2505.564       101.9764 2476.832       144.3811 2534.166       144.0522 224.4930 6.577638 227.0914 6.487217 -2.598450      9.238469 
1 1 1 -8  15 13 o 67.27137 3.175644 222.1537       20.85165 210.0840       29.93113 233.5352       29.06531 65.29008 4.715256 68.89018 4.332275 -3.600105      6.403300 
1 1 1 -8  15 14 o 131.5558 3.312923 848.3491       42.62674 816.1122       60.21492 880.7329       60.35193 128.9201 4.780023 133.9485 4.609935 -5.028458      6.640792 
1 1 1 -8  15 15 o 141.7153 3.414129 983.9362       47.35905 909.0627       65.09480 1068.136       69.02991 136.0536 4.895968 147.5023 4.787489 -11.44872      6.847669 
1 1 1 -8  15 16 o 111.6067 3.189694 610.7015       34.80966 602.5444       49.63641 618.5957       48.83008 110.7525 4.588624 112.2323 4.453759 -1.479805      6.394642 
1 1 1 -8  15 17 o 197.6452 4.807456 1916.249       93.00531 1840.073       112.0476 2085.000       166.7700 193.4716 5.923671 205.5298 8.306776 -12.05817      10.20257 
1 1 1 -8  15 18 o 224.5667 5.299115 2475.355       116.4810 2424.475       141.5664 2582.000       204.9533 221.9855 6.522295 228.5066 9.181955 -6.521057      11.26271 
1 1 1 -8  15 19 o 213.1822 4.422982 2228.961       92.29376 2169.338       128.3177 2292.866       132.8462 209.9977 6.249560 215.8912 6.293202 -5.893555      8.869125 
1 1 1 -8  15 20 o 280.6732 5.527475 3868.868       151.8567 3792.059       212.0732 3949.693       217.5469 277.2848 7.821458 282.9826 7.861547 -5.697845      11.08959 
1 1 1 -8  15 21 o 78.89835 3.887671 305.9431       29.93120 259.5000       36.93411 394.8000       51.08721 72.51089 5.239099 89.44198 5.867723 -16.93108      7.866278 
1 1 1 -8  15 22 o 208.4002 6.332009 2138.353       129.0154 1917.000       173.0986 2415.000       193.5145 196.6964 9.014609 220.8306 8.971255 -24.13412      12.71796 
1 1 1 -8  15 23 o 214.6830 4.450797 2261.839       93.52801 2098.471       126.3187 2460.073       139.1471 206.4155 6.259233 223.4843 6.367425 -17.06876      8.928722 
1 1 1 -8  15 24 o 59.17409 3.347566 172.1989       19.31044 142.8745       24.34386 221.9639       31.71294 53.74387 4.674024 67.05430 4.864826 -13.31043      6.746335 
1 1 1 -8  15 25 o 228.2061 4.666800 2557.815       104.2444 2406.571       141.8609 2735.349       153.6972 220.8781 6.568806 235.4656 6.675299 -14.58748      9.365299 
1 1 1 -8  15 26 f 260.1846 6.048552 3334.882       154.0420 3083.000       256.4557 3477.051       192.6714 248.2950 10.57631 265.1319 7.431520 -16.83691      12.92617 
1 1 1 -8  15 27 o 163.2648 3.709628 1308.167       59.28288 1186.500       79.23005 1462.928       89.35801 155.1905 5.223215 172.3238 5.303949 -17.13330      7.444047 
1 1 1 -8  15 28 o 68.49082 3.299647 230.6899       22.05599 229.9830       28.92971 231.6711       34.08400 68.26459 4.352211 68.40594 5.127701 -0.1413498     6.725702 
1 1 1 -8  15 29 o 171.3679 4.533581 1446.065       75.97934 1359.000       132.1332 1489.074       92.86852 164.9805 8.208035 173.6596 5.470230 -8.679077      9.863835 
1 1 1 -8  15 30 o 124.4732 3.321839 761.3732       40.43638 743.9334       55.91312 780.4962       58.54927 122.7963 4.660272 125.7592 4.764989 -2.962906      6.665077 
1 1 1 -8  15 31 o 54.69940 5.163270 149.0927       27.31771 182.5000       56.27670 138.7943       31.24586 59.27615 10.05852 52.54892 6.193496 6.727230       11.81242 
1 1 1 -8  15 32 o 53.82596 5.247291 144.6852       27.29546 146.8000       54.76234 143.9861       31.48530 52.61648 10.98809 53.50319 6.122147 -0.8867149     12.57850 
1 1 1 -8  15 33 o 89.37000 4.035740 394.5973       35.21268 432.2000       69.10699 381.4110       40.92366 92.42771 7.708724 87.69339 4.785758 4.734322       9.073472 
1 1 1 -8  15 34 o 75.96130 4.304410 286.0125       31.87362 348.1000       62.98197 264.6364       36.95538 82.67089 7.878331 72.83957 5.217837 9.831322       9.449547 
1 1 1 -8  15 35 o 38.72011 8.701836 79.43649       32.17481 66.02000       52.09559 87.71000       40.90970 35.97964 12.30450 40.32870 10.32145 -4.349064      16.06029 
1 1 1 -8  15 36 o 55.52903 3.821374 153.0273       20.64380 155.6823       26.63507 149.0329       32.67012 55.75798 4.931009 54.16568 6.278111 1.592300       7.983077 
1 1 1 -8  15 37 o 64.76282 4.029476 208.3929       25.41696 236.3000       36.83334 183.0246       35.11801 68.53977 5.537356 60.10215 6.051746 8.437622       8.202801 
1 1 1 -8  15 38 o 116.7035 4.615103 678.3869       52.61556 689.8000       69.53596 663.1000       80.47647 116.9300 6.096492 113.9345 7.253852 2.995491       9.475526 
1 1 1 -8  15 39 o 72.70004 4.178268 263.1666       29.60766 264.3781       34.97094 260.1000       55.63547 72.61961 4.949379 70.60067 8.203325 2.018936       9.580757 
1 1 1 -8  15 40 o 21.07544 7.913587 18.08592       22.11449 50.33310       25.38807 -83.33000      45.02326 30.62169 8.275186 16.49514 8.098793 14.12655       11.57882 
1 1 1 -8  15 41 o 38.21776 5.699653 75.20940       20.67067 92.10677       28.59899 56.72664       29.91057 41.80038 7.252642 32.24529 9.088358 9.555088       11.62751 
1 1 1 -8  15 42 o 51.33534 4.410893 132.6681       21.94939 153.0260       31.87384 114.3068       30.27044 54.51377 6.076597 46.72233 6.819917 7.791443       9.134347 
1 1 1 -8  15 43 o 58.05095 7.325181 178.2000       40.69813 178.2000       40.69813 0.000000       0.000000 58.05095 7.325181 ?        ?        ?              ?        
1 1 1 -8  15 44 o 24.20039 7.541530 31.14608       19.78401 36.15917       28.32384 26.37003       27.64611 26.30206 9.070056 23.83404 8.868505 2.468025       12.68528 
1 1 1 -8  15 45 o 44.84235 5.086833 103.2862       21.93360 142.9104       32.67952 70.80432       29.58798 52.09153 6.553913 35.52174 8.602177 16.56979       10.81440 
1 1 1 -8  15 46 o 31.42425 6.870059 53.56886       20.54086 83.95438       30.36764 27.94158       27.88874 38.83740 8.243595 24.07453 8.916859 14.76287       12.14361 
1 1 1 -8  15 47 o 19.83463 7.519293 16.82852       20.07412 35.77939       29.98390 1.434061       27.02437 26.10336 9.306536 18.53129 8.040783 7.572067       12.29902 
1 1 1 -8  15 48 o 59.69312 4.729324 182.0718       27.40743 216.0311       35.59206 132.6000       42.95890 64.45657 5.699995 47.93322 9.492003 16.52335       11.07195 
1 1 1 -8  15 49 o 28.15701 7.463944 44.20029       20.90120 41.96064       31.25189 46.01277       28.11402 27.45582 9.524448 28.40984 9.009188 -0.9540195     13.11032 
1 1 1 -8  15 50 o 44.87826 5.836154 106.4605       25.03043 152.1000       45.90294 87.14740       29.86044 50.94068 9.556925 39.27930 8.037597 11.66138       12.48750 
1 1 1 -8  15 51 o 41.65090 5.428669 91.22701       21.60600 130.9170       33.56541 63.14643       28.23284 48.80704 7.245497 32.87585 8.656069 15.93119       11.28826 
1 1 1 -8  15 52 o 48.12188 4.791694 119.7299       22.27069 200.0675       36.50514 72.10359       28.10723 61.32264 6.165301 35.37093 8.267490 25.95171       10.31321 
1 1 1 -8  15 53 o 47.33804 6.173577 120.1374       27.92485 153.6681       36.54856 73.11000       43.28365 52.78367 7.266614 33.71349 11.21553 19.07018       13.36382 
1 1 1 -8  15 54 o 28.13264 7.096525 44.51878       19.53672 32.72340       22.11858 86.38000       41.66845 24.23287 8.015986 36.72982 10.84362 -12.49695      13.48481 
1 1 1 -8  15 55 o 41.89953 5.272277 92.33500       21.14524 89.87599       24.05325 100.7000       44.36363 40.79856 6.219537 39.49132 11.04637 1.307243       12.67694 
1 1 1 -8  15 56 o 36.15923 6.050487 70.75237       20.65890 55.30175       23.32882 126.9000       44.47189 31.00093 7.718041 45.11691 10.29786 -14.11598      12.86911 
1 1 1 -8  15 57 o 26.29367 8.188338 40.20727       23.32738 40.20727       23.32738 0.000000       0.000000 26.29367 8.188338 ?        ?        ?              ?        
1 1 1 -8  15 58 o 39.70388 5.579207 84.47322       21.08526 96.80197       24.07799 43.92000       43.66900 42.27982 5.985235 27.46188 10.89798 14.81793       12.43338 
1 1 1 -8  15 59 o 23.49805 7.545018 31.62891       19.67005 24.59671       22.09961 58.44000       43.15154 21.58382 7.947680 29.75286 11.07806 -8.169035      13.63411 
1 1 1 -8  16 1  o 165.3127 3.743718 1338.681       60.57810 1264.099       85.26673 1414.693       86.07981 160.4707 5.436321 169.7929 5.185432 -9.322144      7.512808 
1 1 1 -8  16 2  o 87.98043 4.333825 380.2072       37.20703 395.3000       60.44551 371.0000       47.21103 89.46563 6.957071 86.80056 5.586331 2.665070       8.922328 
1 1 1 -8  16 3  o 332.1336 9.103251 5431.962       295.6690 5025.000       397.1454 5938.000       442.8579 318.4965 12.76496 346.1587 13.09383 -27.66214      18.28640 
1 1 1 -8  16 4  o 290.1226 8.062399 4140.343       228.7340 4108.000       322.6982 4173.000       324.2650 288.2457 11.46025 290.5296 11.42486 -2.283966      16.18224 
1 1 1 -8  16 5  o 211.5566 5.106955 2194.312       105.7535 2023.641       123.4465 2665.000       205.0058 202.9815 6.220551 232.5368 9.023880 -29.55531      10.96019 
1 1 1 -8  16 6  o 334.7308 6.441147 5499.503       211.0401 5479.118       298.6632 5519.831       298.2489 333.4951 9.157933 334.7439 9.110957 -1.248840      12.91810 
1 1 1 -8  16 7  o 158.5230 4.196383 1232.296       65.05663 1145.000       112.5680 1276.075       79.71797 152.4556 7.567014 161.2456 5.057075 -8.789993      9.101303 
1 1 1 -8  16 8  o 113.0719 3.133351 626.6641       34.64582 607.8980       50.39997 643.4764       47.70427 111.2641 4.637908 114.5079 4.263584 -3.243729      6.299868 
1 1 1 -8  16 9  o 161.8634 4.215042 1284.863       66.72477 1227.000       116.8930 1312.829       81.26506 157.8101 7.589663 163.5418 5.082723 -5.731705      9.134389 
1 1 1 -8  16 10 o 305.7275 6.865504 4591.573       205.4533 4193.000       336.9567 4827.441       259.2119 290.8536 11.86057 313.0667 8.466630 -22.21310      14.57247 
1 1 1 -8  16 11 o 131.0561 3.811335 842.3115       48.84037 833.4000       88.87110 846.1675       58.45984 130.0457 7.007535 131.2990 4.555630 -1.253281      8.358188 
1 1 1 -8  16 12 o 219.0670 4.492105 2352.777       96.32369 2312.501       135.6935 2393.688       136.7572 216.8980 6.398416 220.6848 6.337555 -3.786789      9.005795 
1 1 1 -8  16 13 o 207.2111 4.306357 2104.898       87.34323 2047.697       122.2637 2164.516       124.8200 204.1101 6.126586 209.8628 6.082762 -5.752701      8.633368 
1 1 1 -8  16 14 o 252.4231 5.039458 3125.918       124.5143 3139.414       177.3690 3112.806       174.8378 252.5547 7.182199 251.4956 7.109429 1.059052       10.10584 
1 1 1 -8  16 15 o 111.3662 3.161086 608.0796       34.42359 619.4555       49.87246 597.7283       47.57348 112.2975 4.546563 110.3190 4.414547 1.978508       6.337149 
1 1 1 -8  16 16 o 327.6188 7.312941 5282.004       234.5131 5319.281       289.6020 5211.000       399.6899 328.1829 9.023849 323.4153 12.65012 4.767578       15.53884 
1 1 1 -8  16 17 o 179.3290 4.513346 1578.331       79.16077 1537.491       96.56670 1662.000       138.2194 176.8597 5.585178 183.5365 7.710971 -6.676773      9.521202 
1 1 1 -8  16 18 o 331.7527 6.408183 5411.186       208.0921 5488.492       297.3266 5336.961       291.3381 333.2123 9.124635 328.5977 9.066547 4.614655       12.86317 
1 1 1 -8  16 19 o 272.0901 6.195835 3639.440       165.0133 3390.000       271.2059 3786.064       207.9306 261.2694 10.62703 277.0848 7.673932 -15.81543      13.10812 
1 1 1 -8  16 20 o 132.2215 3.778987 857.8133       48.85825 750.9000       75.80227 933.7963       63.90346 123.4084 6.296058 137.8591 4.742749 -14.45061      7.882514 
1 1 1 -8  16 21 o 30.16797 6.620983 46.53444       19.01357 42.14000       22.59355 57.20000       35.19852 28.76225 7.820791 33.71365 9.969668 -4.951401      12.67119 
1 1 1 -8  16 22 f 275.5053 6.331419 3735.824       170.7407 4040.000       313.6354 3607.710       203.5461 284.5545 11.28276 270.2688 7.702005 14.28571       13.66095 
1 1 1 -8  16 23 o 92.72767 3.924598 422.5332       35.54084 500.8000       71.79129 397.1241       40.90514 100.4914 7.349365 89.81357 4.668994 10.67788       8.707047 
1 1 1 -8  16 24 o 105.7173 3.873816 549.0657       40.01808 522.7000       75.95296 559.1974       47.08343 102.5785 7.618934 106.6165 4.521938 -4.038071      8.859801 
1 1 1 -8  16 25 o 193.6500 4.840349 1843.128       91.74882 1822.000       162.0129 1853.103       111.3193 191.4562 8.667656 193.8925 5.872241 -2.436340      10.46955 
1 1 1 -8  16 26 o 127.4748 3.359947 797.6600       41.88748 842.3537       60.65934 756.9235       57.91182 130.8092 4.745408 123.9840 4.780903 6.825150       6.736166 
1 1 1 -8  16 27 o 114.5307 3.239046 644.0460       36.27512 618.5336       49.96378 672.4844       52.75117 112.0587 4.564713 116.8421 4.621511 -4.783394      6.495766 
1 1 1 -8  16 28 f 106.5038 3.970877 558.2236       41.32347 459.4000       75.03866 601.2383       49.50661 95.73923 8.082788 110.4362 4.589793 -14.69698      9.295034 
1 1 1 -8  16 29 o 66.87614 4.498800 221.2062       29.27790 271.8000       61.18655 206.1821       33.34284 73.20611 8.709457 64.41376 5.336160 8.792343       10.21417 
1 1 1 -8  16 30 o 157.1724 3.661557 1214.693       56.33110 1193.135       78.61866 1237.437       80.75262 155.3246 5.178294 158.1709 5.222999 -2.846252      7.354893 
1 1 1 -8  16 31 o 82.46987 3.681145 335.3223       29.64071 371.7119       35.88611 257.2000       52.58055 86.73699 4.239685 71.28284 7.655710 15.45415       8.751276 
1 1 1 -8  16 32 o 54.92472 3.671000 149.1953       19.62266 150.5745       24.74312 146.8576       32.21320 55.01001 4.638398 53.97170 6.210725 1.038307       7.751635 
1 1 1 -8  16 33 o 66.59494 3.490768 218.9923       22.67511 257.7379       29.97909 167.1924       34.66343 72.11079 4.266357 57.55682 6.253115 14.55396       7.569891 
1 1 1 -8  16 34 o 67.22720 5.718652 226.9367       37.27410 305.3000       62.05277 182.7000       46.62254 77.02830 8.364202 59.43911 8.234306 17.58918       11.73728 
1 1 1 -8  16 35 o 46.72350 6.097335 111.0589       27.22108 97.21000       55.39884 115.4668       31.25434 42.00887 12.52864 47.40099 6.941953 -5.392120      14.32332 
1 1 1 -8  16 36 o 63.26661 5.608901 201.6289       34.37476 0.000000       0.000000 201.6289       34.37476 ?        ?        63.26661 5.608901 ?              ?        
1 1 1 -8  16 37 o 38.78377 8.065918 79.74104       29.62118 0.000000       0.000000 79.74104       29.62118 ?        ?        38.78377 8.065918 ?              ?        
1 1 1 -8  16 38 o 64.36147 4.737039 207.4010       29.63368 276.3000       65.14182 189.4222       33.27618 72.13936 9.452499 61.21207 5.616340 10.92728       10.99514 
1 1 1 -8  16 39 o 42.60383 4.715193 91.58415       19.33448 113.7051       25.89298 63.70613       29.06774 47.21924 5.718559 34.33362 8.653631 12.88562       10.37243 
1 1 1 -8  16 40 o 46.89089 4.424815 110.5124       20.06891 145.3588       27.24653 69.18651       29.67177 53.56423 5.264683 35.71229 8.593008 17.85194       10.07753 
1 1 1 -8  16 41 o 46.30854 5.388783 109.5212       23.97054 107.9558       27.69168 114.2000       47.87433 45.60193 6.378025 44.69080 11.01562 0.9111290      12.72883 
1 1 1 -8  16 42 o 56.92625 4.779258 164.0100       26.38485 194.1476       31.30600 90.11000       49.02251 61.77494 5.226363 39.11340 11.81330 22.66153       12.91777 
1 1 1 -8  16 43 o 28.24366 7.528073 43.51227       21.18872 38.60358       24.15623 59.89000       44.12383 26.70762 8.334908 32.59530 11.31664 -5.887674      14.05478 
1 1 1 -8  16 44 o 26.22863 8.417667 37.14023       24.48534 32.49000       29.24174 48.05000       44.78924 25.43989 9.176081 30.21014 11.27883 -4.770250      14.54003 
1 1 1 -8  16 45 o 19.37565 7.136139 16.83379       17.81845 15.27777       25.44408 18.33129       24.96105 20.78069 8.294983 21.34736 8.308825 -0.5666752     11.74067 
1 1 1 -8  16 46 o 14.52126 6.422168 -3.494241      17.98787 11.11024       25.90316 -17.09624      24.99833 19.98497 8.224205 15.18089 7.041947 4.804082       10.82712 
1 1 1 -8  16 47 o 62.28977 5.684097 201.6861       34.27502 201.6861       34.27502 0.000000       0.000000 62.28977 5.684097 ?        ?        ?              ?        
1 1 1 -8  16 48 o 24.65272 7.575598 33.37004       20.04426 53.62741       30.08262 17.19557       26.88060 30.40630 9.268726 21.30674 8.518896 9.099560       12.58892 
1 1 1 -8  16 49 o 18.70560 7.598913 11.08500       21.76310 11.22000       38.37391 11.02099       26.42350 22.57938 9.687600 19.89587 8.258129 2.683508       12.72974 
1 1 1 -8  16 50 o 64.59200 3.849068 211.0194       24.22515 250.4307       37.67688 183.2433       31.63005 69.16446 5.613477 59.16898 5.525228 9.995480       7.876501 
1 1 1 -8  16 51 o 39.20258 6.952215 84.60046       25.70068 91.37520       32.23999 72.79000       42.56786 39.70858 8.548009 33.78711 11.11790 5.921463       14.02413 
1 1 1 -8  16 52 o 32.40006 6.340831 57.22615       19.38906 64.08543       21.92076 32.57000       41.56036 34.08572 6.808594 26.09105 10.53654 7.994669       12.54494 
1 1 1 -8  16 53 o 44.38984 4.906980 102.5103       20.96532 116.4093       23.97733 57.38000       43.20608 47.11406 5.290598 30.50759 11.13238 16.60647       12.32560 
1 1 1 -8  16 54 o 42.89047 4.982496 96.02102       20.52886 88.89377       23.20353 121.7000       44.04351 40.69353 6.005621 44.25427 10.35281 -3.560741      11.96863 
1 1 1 -8  16 55 o 43.74971 5.101749 100.3212       21.43790 102.1755       24.47510 94.21000       44.43269 43.70691 5.869159 37.87231 11.20182 5.834595       12.64625 
1 1 1 -8  16 56 o 19.52156 7.609578 16.36407       20.96144 16.36407       20.96144 0.000000       0.000000 19.52156 7.609578 ?        ?        ?              ?        
1 1 1 -8  16 57 o 23.29984 7.352645 30.57639       18.74630 36.96028       20.97981 5.292000       41.75277 25.32502 7.744423 21.81713 9.709050 3.507881       12.41941 
1 1 1 -8  16 58 o 21.30985 7.730286 24.03056       20.79052 23.28595       23.85870 26.38000       42.38037 21.49861 8.186373 24.46490 10.32650 -2.966293      13.17776 
1 1 1 -8  17 1  o 161.5433 4.239652 1279.777       66.98073 1350.000       122.9008 1250.106       79.88760 165.5552 7.604436 159.5838 5.120910 5.971451       9.167943 
1 1 1 -8  17 2  f 232.1576 5.487423 2643.758       124.6974 2523.563       149.0590 2924.000       227.6045 226.5916 6.728054 243.4087 9.571634 -16.81706      11.69970 
1 1 1 -8  17 3  o 243.3027 6.965147 2910.136       165.7052 2749.000       227.2746 3093.000       242.1138 235.9319 9.863183 250.2735 9.902767 -14.34166      13.97667 
1 1 1 -8  17 4  o 206.5721 4.321975 2091.409       87.38966 1952.545       120.1614 2247.324       127.3247 199.3549 6.165301 213.8978 6.087543 -14.54292      8.664244 
1 1 1 -8  17 5  o 241.3455 5.648735 2857.769       133.4432 2778.486       161.1113 3031.000       238.1496 237.7261 6.931174 247.7411 9.840348 -10.01497      12.03635 
1 1 1 -8  17 6  o 362.4210 8.027909 6461.097       284.7882 6557.236       352.7032 6281.000       482.7379 364.4981 9.894866 355.2806 13.90828 9.217529       17.06894 
1 1 1 -8  17 7  o 164.4875 3.705617 1325.632       59.66224 1339.409       86.58540 1313.178       82.32594 165.1534 5.363238 163.5482 5.149039 1.605255       7.434845 
1 1 1 -8  17 8  o 355.3772 6.811319 6204.664       236.9338 6177.905       335.1074 6231.412       335.0425 353.7904 9.685913 355.3338 9.641811 -1.543396      13.66680 
1 1 1 -8  17 9  f 415.8820 7.886161 8509.752       321.0273 8734.573       463.0745 8301.727       445.4410 420.0376 11.27325 409.5529 11.12183 10.48468       15.83608 
1 1 1 -8  17 10 o 191.9464 4.714231 1806.733       88.57210 1845.000       159.1782 1789.571       106.5988 193.3696 8.430125 190.8597 5.712429 2.509842       10.18326 
1 1 1 -8  17 11 o 203.7073 4.921137 2035.472       98.12468 1980.000       170.6346 2062.880       119.9402 200.2451 8.726559 204.8772 5.987301 -4.632172      10.58303 
1 1 1 -8  17 12 o 175.6021 4.454362 1513.005       76.50161 1488.000       135.3926 1524.733       92.72172 173.6548 7.986681 176.1790 5.383082 -2.524124      9.631441 
1 1 1 -8  17 13 o 88.95290 3.076198 388.0828       26.74401 397.0895       40.39558 381.0545       35.68451 89.86275 4.607872 88.06483 4.151406 1.797928       6.202149 
1 1 1 -8  17 14 o 57.25313 3.439396 161.1994       19.18583 167.3820       29.37561 156.6003       25.33608 58.16824 5.214616 56.31445 4.637412 1.853790       6.978382 
1 1 1 -8  17 15 o 127.5709 4.390879 799.0744       54.74712 869.3000       81.37336 741.0000       73.99918 132.8478 6.275540 122.6417 6.184238 10.20603       8.810631 
1 1 1 -8  17 16 o 55.91524 3.982514 154.0588       21.65417 179.8439       28.83309 120.7000       32.79535 60.33876 4.924692 49.03643 7.033729 11.30233       8.586381 
1 1 1 -8  17 17 o 297.9170 5.826068 4360.765       169.8936 4323.787       239.7328 4398.074       240.8025 295.9497 8.283824 298.4936 8.249665 -2.543945      11.69097 
1 1 1 -8  17 18 o 56.68290 3.935310 158.2922       21.69862 153.0000       32.42177 162.5857       29.20299 55.46348 6.071120 57.30331 5.265259 -1.839825      8.036258 
1 1 1 -8  17 19 o 158.9903 4.157941 1240.684       64.65205 1172.000       106.2090 1281.116       81.48925 154.1045 7.059840 161.4379 5.163541 -7.333359      8.746627 
1 1 1 -8  17 20 o 173.7164 5.323751 1483.956       90.41737 1396.000       122.8268 1588.000       133.5890 168.0923 7.483922 179.2678 7.630568 -11.17545      10.68806 
1 1 1 -8  17 21 o 340.3563 6.574278 5704.876       219.0222 5792.499       313.4445 5621.273       306.1718 341.7410 9.379252 336.6865 9.299281 5.054535       13.20784 
1 1 1 -8  17 22 o 146.8139 4.159250 1058.538       59.71047 1050.000       108.5798 1062.240       71.49108 145.6264 7.644093 146.9617 4.977012 -1.335251      9.121556 
1 1 1 -8  17 23 o 136.5433 3.420941 914.8521       45.68566 939.1047       65.76180 892.2281       63.51531 138.1589 4.870444 134.6686 4.826235 3.490234       6.856659 
1 1 1 -8  17 24 o 173.7083 4.530599 1483.417       76.96825 1459.000       136.8442 1494.716       93.08836 171.4084 8.179806 174.1921 5.466364 -2.783707      9.838209 
1 1 1 -8  17 25 o 156.4807 3.633707 1201.668       55.65663 1101.082       75.65519 1320.319       82.16831 149.4903 5.178164 163.7227 5.133649 -14.23247      7.291621 
1 1 1 -8  17 26 f 183.1845 4.705977 1651.938       84.31116 1665.000       151.7967 1646.111       101.3881 182.7064 8.511332 182.6184 5.678900 0.8796692E-01  10.23194 
1 1 1 -8  17 27 o 139.0748 3.451511 949.6293       46.98553 906.3450       64.93822 997.1854       68.06731 135.5630 4.901948 142.2036 4.897456 -6.640610      6.929225 
1 1 1 -8  17 28 o 68.57728 3.354971 231.5015       22.45201 216.1115       29.82138 251.6405       34.11358 66.07434 4.640438 71.27652 4.919797 -5.202179      6.762992 
1 1 1 -8  17 29 o 125.9868 3.338963 780.4124       41.13959 797.6022       58.29097 763.3527       58.06998 127.0847 4.694061 124.3014 4.781677 2.783340       6.700645 
1 1 1 -8  17 30 o 101.4924 3.158756 506.6234       31.34200 499.4627       43.23450 514.5546       45.50086 100.5386 4.403992 102.0123 4.568400 -1.473747      6.345504 
1 1 1 -8  17 31 o 115.4934 3.263519 656.4777       36.85649 649.4167       51.00632 664.1926       53.31627 114.5670 4.557489 115.8218 4.712715 -1.254784      6.555943 
1 1 1 -8  17 32 o 89.60705 3.225155 395.5456       28.24165 405.0972       38.54562 384.4753       41.49692 90.44061 4.367076 87.98478 4.837001 2.455833       6.516742 
1 1 1 -8  17 33 o 98.82442 3.652680 482.3092       35.27234 506.5344       43.51512 435.9000       60.22944 101.0737 4.409019 92.96692 6.662904 8.106758       7.989602 
1 1 1 -8  17 34 o 77.50830 3.277890 296.5182       24.81231 300.1617       33.34580 291.9985       37.13984 77.72272 4.401141 76.49178 4.987628 1.230949       6.651802 
1 1 1 -8  17 35 o 55.07946 3.955291 150.8127       21.18230 160.7000       28.68350 138.9525       31.41510 56.54351 5.242233 52.24247 6.268431 4.301048       8.171550 
1 1 1 -8  17 36 f 132.0502 3.875463 863.6188       50.03788 956.8000       84.57537 813.4368       62.06598 137.6843 6.292203 127.6631 4.976392 10.02122       8.022239 
1 1 1 -8  17 37 o 52.11601 3.932606 135.2853       19.91322 173.1906       26.46338 85.80499       30.23511 58.81781 4.633934 40.25881 7.954829 18.55900       9.206120 
1 1 1 -8  17 38 o 50.13273 3.992536 125.4437       19.43015 155.0994       25.86387 87.02366       29.43867 55.55109 4.803737 40.56451 7.695694 14.98658       9.071913 
1 1 1 -8  17 39 o 92.88911 4.112491 429.6657       37.29908 559.7000       79.05859 392.4348       42.30308 103.7938 7.839604 88.44305 4.905767 15.35074       9.248024 
1 1 1 -8  17 40 o 58.77953 5.038714 174.7435       28.71086 155.8000       62.04538 179.9051       32.38697 51.53471 12.44223 59.41026 5.636759 -7.875546      13.65951 
1 1 1 -8  17 41 o 26.44912 8.362592 37.16626       24.23920 72.81000       55.64824 28.82011       26.92794 35.83983 12.68860 24.49078 8.809184 11.34905       15.44676 
1 1 1 -8  17 42 o 48.38444 5.738914 120.9963       26.65079 71.29000       56.42386 135.2701       30.23617 35.19088 12.73920 50.98200 6.185415 -15.79112      14.16144 
1 1 1 -8  17 43 o 37.58058 6.801812 75.46037       24.09953 75.85000       55.19117 75.36858       26.78831 35.70675 12.63686 37.18996 7.615418 -1.483219      14.75415 
1 1 1 -8  17 44 o 24.67655 6.805551 32.94239       16.96970 52.39380       23.04086 9.882709       25.08706 30.80038 7.671497 19.57208 8.077920 11.22830       11.14023 
1 1 1 -8  17 45 o 43.40474 4.909282 96.79346       20.49176 101.6000       29.19673 92.12722       28.76749 43.41778 7.116380 41.14551 7.415613 2.272274       10.27785 
1 1 1 -8  17 46 o 29.23701 8.280774 48.07902       24.76910 48.07902       24.76910 0.000000       0.000000 29.23701 8.280774 ?        ?        ?              ?        
1 1 1 -8  17 47 o 18.63503 7.547375 10.88856       21.39402 12.76816       25.06075 5.838000       41.08012 20.00016 8.143353 22.54562 9.846226 -2.545456      12.77742 
1 1 1 -8  17 48 f 70.72760 4.983164 257.0574       34.27769 307.0000       46.47834 197.5000       50.75552 76.28539 6.280046 58.82239 9.109494 17.46299       11.06444 
1 1 1 -8  17 49 o 40.33302 6.474443 87.82699       24.69584 75.45168       29.88057 114.5000       43.86792 36.10332 8.582169 43.18201 10.48490 -7.078686      13.54942 
1 1 1 -8  17 50 o 43.98273 6.022957 103.2561       25.24937 115.7274       31.33818 80.18000       42.62828 45.81370 7.227645 35.42954 11.07456 10.38416       13.22440 
1 1 1 -8  17 51 o 20.68057 7.117453 22.20100       17.43847 20.16390       19.33368 31.09000       40.38638 20.34130 7.443048 25.72406 10.38725 -5.382761      12.77865 
1 1 1 -8  17 52 o 25.31056 6.995970 35.87865       17.91029 23.30551       19.84412 91.12000       41.59510 21.27713 7.572689 37.82764 10.73667 -16.55051      13.13856 
1 1 1 -8  17 53 o 27.49747 6.721767 42.14188       17.93724 52.26732       19.92968 -1.038000      41.15607 30.63594 6.821305 21.21460 9.525599 9.421343       11.71611 
1 1 1 -8  17 54 o 14.37793 6.297133 -0.9694567     16.90815 -8.329383      18.56546 34.82000       40.93988 13.72472 6.256105 26.21138 10.50193 -12.48666      12.22413 
1 1 1 -8  17 55 o 40.23654 5.591650 86.23730       21.42821 86.23730       21.42821 0.000000       0.000000 40.23654 5.591650 ?        ?        ?              ?        
1 1 1 -8  17 56 o 39.87275 5.158335 83.90206       19.66091 83.61280       21.99900 85.05000       43.82452 39.38927 5.886099 35.65516 11.24076 3.734112       12.68861 
1 1 1 -8  17 57 o 26.10641 7.396443 39.34204       19.75806 44.62350       22.28068 19.90000       42.74865 27.57118 7.868768 23.71826 10.20128 3.852915       12.88346 
1 1 1 -8  17 58 o 21.90387 7.134883 26.90406       17.55099 30.97668       19.33984 7.894000       41.78381 23.26366 7.482533 21.83834 9.715927 1.425316       12.26326 
1 1 1 -8  18 1  o 139.0414 3.969774 948.1736       53.97232 1099.000       103.7815 892.2584       63.18972 149.3681 7.118813 134.8085 4.796401 14.55960       8.583878 
1 1 1 -8  18 2  o 198.9720 4.207362 1940.459       81.94230 2054.000       172.2997 1907.273       93.15092 204.0441 8.646490 197.2172 4.825432 6.826859       9.901847 
1 1 1 -8  18 3  o 249.7224 5.012277 3058.524       122.5177 2817.000       234.6883 3149.006       143.6452 238.6871 10.06775 253.2991 5.793637 -14.61194      11.61576 
1 1 1 -8  18 4  o 220.7744 4.550507 2389.701       98.33652 2435.772       142.5877 2347.913       135.7982 222.5858 6.551661 218.5605 6.354445 4.025314       9.127060 
1 1 1 -8  18 5  o 86.29163 4.261712 365.8931       35.88503 329.0000       57.74863 389.1000       45.80133 81.47610 7.319022 88.90020 5.287317 -7.424103      9.029053 
1 1 1 -8  18 6  o 288.9185 6.561702 4101.040       185.5658 4202.569       231.3764 3918.000       310.6678 292.0696 8.101139 281.1175 11.31332 10.95212       13.91473 
1 1 1 -8  18 7  o 32.76957 9.225024 54.39259       30.83613 54.39259       30.83613 0.000000       0.000000 32.76957 9.225024 ?        ?        ?              ?        
1 1 1 -8  18 8  o 165.3405 3.737195 1339.697       60.48272 1315.040       86.76797 1363.001       84.35406 163.6036 5.425772 166.5917 5.179338 -2.988129      7.500969 
1 1 1 -8  18 9  o 64.59193 3.291663 204.9319       20.74271 183.2136       33.49602 218.4410       26.41755 60.82606 5.692082 66.63117 4.069917 -5.805111      6.997429 
1 1 1 -8  18 10 o 130.3805 3.322533 833.4092       42.36765 767.7453       60.13245 898.1401       59.70365 125.0013 4.924234 135.2554 4.515954 -10.25407      6.681461 
1 1 1 -8  18 11 o 64.25013 3.765090 203.0195       23.57481 173.5000       54.46862 209.8241       26.15114 58.47132 9.867795 65.29166 4.112813 -6.820332      10.69059 
1 1 1 -8  18 12 o 98.89055 3.558210 479.8717       34.38619 462.6000       68.50017 485.6902       39.75856 96.68118 7.292170 99.44720 4.093183 -2.766022      8.362409 
1 1 1 -8  18 13 o 232.0134 6.684491 2649.480       151.6473 2555.000       213.8776 2745.000       215.0506 227.1419 9.641638 235.5324 9.346454 -8.390549      13.42823 
1 1 1 -8  18 14 o 325.9117 7.278077 5229.407       232.1789 5297.949       287.9377 5102.000       392.5676 327.4112 8.993117 319.8165 12.56473 7.594666       15.45149 
1 1 1 -8  18 15 o 226.9230 4.645948 2526.491       103.1951 2567.521       148.4807 2488.155       143.5252 228.3646 6.649634 224.8284 6.528765 3.536179       9.318928 
1 1 1 -8  18 16 o 111.4346 3.262206 609.0293       35.54429 598.1217       51.94588 618.6328       48.74143 110.2919 4.823397 112.2092 4.446563 -1.917328      6.560265 
1 1 1 -8  18 17 o 120.4959 3.671261 712.4529       43.25009 705.4000       72.62274 716.3291       53.83903 119.6047 6.224654 120.7379 4.563834 -1.133217      7.718478 
1 1 1 -8  18 18 o 207.8904 4.982277 2122.148       101.3838 2120.000       174.3823 2123.244       124.6072 206.9318 8.628253 207.6784 6.136522 -0.7466583     10.58790 
1 1 1 -8  18 19 o 165.7942 3.769477 1348.010       61.17256 1369.828       88.27801 1327.855       84.84614 166.8652 5.411969 164.3064 5.282459 2.558838       7.562657 
1 1 1 -8  18 20 o 213.2329 6.204520 2239.850       129.3620 2277.000       184.5960 2204.000       181.3384 214.2882 8.819558 210.8235 8.806878 3.464722       12.46378 
1 1 1 -8  18 21 o 113.2428 3.249221 629.2068       35.97883 574.8636       49.60217 689.5430       52.26576 108.0850 4.699678 118.4174 4.517444 -10.33234      6.518763 
1 1 1 -8  18 22 o 265.1691 5.283394 3458.173       137.1330 3419.996       192.9819 3497.115       194.9032 262.9451 7.505678 265.8991 7.495996 -2.954041      10.60779 
1 1 1 -8  18 23 o 267.6566 5.324997 3525.319       139.5094 3413.273       193.6244 3646.286       201.1850 262.5476 7.542167 271.3516 7.581985 -8.803955      10.69443 
1 1 1 -8  18 24 o 55.29613 3.536852 150.6553       19.04299 128.9967       25.57052 177.6256       28.53428 50.93187 5.202107 59.89185 4.910433 -8.959976      7.153619 
1 1 1 -8  18 25 o 204.8143 5.054551 2065.804       101.3326 1880.000       170.2964 2167.652       126.0828 193.8959 8.997388 209.4016 6.158026 -15.50569      10.90295 
1 1 1 -8  18 26 o 135.5543 3.421377 902.7406       45.36002 819.7329       61.78175 999.8111       66.81049 128.9045 4.905452 142.4023 4.800014 -13.49782      6.863206 
1 1 1 -8  18 27 o 172.2801 3.847414 1459.316       64.87991 1418.331       90.44480 1502.763       93.12183 169.3628 5.462959 174.3356 5.463812 -4.972794      7.726394 
1 1 1 -8  18 28 o 58.67373 3.482694 169.8027       19.91163 164.1678       26.31144 177.3548       30.46061 57.50072 4.716232 59.67817 5.268604 -2.177444      7.071141 
1 1 1 -8  18 29 o 44.71622 4.031932 99.28413       17.45819 83.54755       22.12796 125.2301       28.41329 40.66901 5.716234 49.89574 5.933801 -9.226730      8.239255 
1 1 1 -8  18 30 o 97.16273 3.184252 464.6600       30.24310 481.3240       42.11427 446.9157       43.45778 98.64725 4.372386 94.97311 4.689275 3.674141       6.411479 
1 1 1 -8  18 31 o 49.68094 4.319379 122.8316       20.79618 136.0449       24.28248 86.47000       40.28178 52.20547 4.805833 40.22658 10.21349 11.97889       11.28767 
1 1 1 -8  18 32 o 125.5213 3.804748 778.2440       46.69257 776.3578       57.48947 781.9000       80.03690 125.0662 4.704537 124.6861 6.581223 0.3801270      8.089819 
1 1 1 -8  18 33 o 63.85076 3.457074 201.5994       21.52575 188.5274       27.97604 220.5689       33.70111 61.47300 4.684669 66.37097 5.229746 -4.897968      7.021137 
1 1 1 -8  18 34 o 32.26094 5.436439 53.29143       16.55747 54.98000       20.88260 50.43270       27.17133 32.44553 6.793596 30.85523 8.650073 1.590300       10.99894 
1 1 1 -8  18 35 o 20.38050 6.627846 20.43524       15.14838 29.76521       18.65877 2.394741       25.94581 24.06122 7.292584 18.90407 8.033943 5.157148       10.85016 
1 1 1 -8  18 36 o 78.32419 3.246859 303.2400       24.83835 306.7418       34.24159 299.3511       36.08428 78.42831 4.479034 77.37225 4.788061 1.056068       6.556468 
1 1 1 -8  18 37 o 24.57005 6.395409 31.68885       15.52784 48.80191       19.60140 2.854721       25.44349 30.43579 6.755863 18.75393 7.962405 11.68186       10.44230 
1 1 1 -8  18 38 o 61.34769 3.561266 186.9326       21.29305 180.8684       28.44571 194.6610       32.11243 59.95356 4.889678 62.05198 5.338881 -2.098423      7.239655 
1 1 1 -8  18 39 o 95.46728 3.292913 451.5242       30.72489 496.5702       44.32121 409.8480       42.63117 99.57574 4.559381 90.31303 4.840162 9.262711       6.649445 
1 1 1 -8  18 40 o 12.47686 6.029263 -33.33055      22.33154 3.073000       52.01795 -41.55574      24.72602 25.25160 11.05269 12.68524 6.179386 12.56636       12.66281 
1 1 1 -8  18 41 o 29.19847 5.815490 44.90426       16.03666 70.84361       20.47520 3.740764       25.79317 36.84062 5.875191 18.75870 7.992535 18.08192       9.919600 
1 1 1 -8  18 42 o 46.64007 3.996653 109.5854       18.07004 108.4738       23.99800 111.0410       27.46030 45.85066 5.453916 46.03658 6.255603 -0.1859169     8.299263 
1 1 1 -8  18 43 o 21.13590 6.742353 23.24142       15.72681 43.70285       21.37838 -0.8916824     23.21739 28.19249 7.582827 16.99181 7.411812 11.20068       10.60350 
1 1 1 -8  18 44 o 28.31628 6.053631 42.87720       16.27022 51.80254       22.54391 33.17435       23.50532 30.62247 7.565747 24.91868 8.264202 5.703798       11.20435 
1 1 1 -8  18 45 o 52.28028 4.240657 138.5209       21.51472 175.4888       27.49255 80.11000       34.55803 58.59256 4.836690 37.14355 9.475895 21.44902       10.63890 
1 1 1 -8  18 46 o 20.80835 8.356864 15.57851       25.98775 0.000000       0.000000 15.57851       25.98775 ?        ?        20.80835 8.356864 ?              ?        
1 1 1 -8  18 47 o 28.43974 7.565373 45.28914       21.42569 58.22000       24.90116 8.421000       42.04665 32.08768 7.965389 22.97920 9.999615 9.108477       12.78436 
1 1 1 -8  18 48 o 34.43657 6.235047 63.91479       20.24320 68.10565       23.10285 50.06000       42.00624 35.20627 6.950881 29.49122 10.93968 5.715052       12.96115 
1 1 1 -8  18 49 o 22.82737 7.476490 28.31995       19.25922 27.99345       21.93183 29.42000       40.25728 22.93715 7.977577 25.48538 10.34170 -2.548225      13.06111 
1 1 1 -8  18 50 o 18.95655 7.306468 15.32304       19.16063 16.56125       21.76037 11.05000       40.42390 19.84311 7.747969 22.67696 9.836939 -2.833849      12.52184 
1 1 1 -8  18 51 o 19.69265 7.172569 18.89408       17.92367 23.13437       19.98115 1.427000       40.55388 21.25412 7.595045 21.43101 9.550954 -0.1768932     12.20268 
1 1 1 -8  18 52 o 23.32345 7.284350 30.21266       18.44682 19.42813       20.41861 78.10000       43.02648 20.26066 7.604848 34.66632 11.16165 -14.40567      13.50615 
1 1 1 -8  18 53 o 13.61110 6.172357 -7.051734      17.78368 -9.360155      19.80800 2.542000       40.38099 14.05727 6.428397 21.45127 9.547108 -7.393994      11.50963 
1 1 1 -8  18 54 o 47.10894 5.541064 117.5962       25.06264 117.5962       25.06264 0.000000       0.000000 47.10894 5.541064 ?        ?        ?              ?        
1 1 1 -8  18 55 o 38.57508 5.494766 79.19052       20.16143 80.32545       22.66069 74.88000       44.16262 38.42997 6.237855 33.61642 11.33102 4.813549       12.93456 
1 1 1 -8  18 56 o 26.96125 7.887990 42.47178       22.13387 55.30000       25.90795 7.810000       42.58682 30.43058 8.415376 22.22300 9.852294 8.207586       12.95709 
1 1 1 -8  18 57 o 32.48115 6.217971 58.40276       19.04928 60.08959       21.16266 51.20000       43.73036 32.57016 6.855376 28.44460 11.01804 4.125561       12.97665 
1 1 1 -8  19 1  o 145.4812 4.042353 1038.253       57.50773 0.000000       0.000000 1038.253       57.50773 ?        ?        145.4812 4.042353 ?              ?        
1 1 1 -8  19 2  o 156.3990 4.218385 1200.054       64.51928 1221.000       115.9175 1190.653       77.66082 157.3413 7.548643 155.6969 5.102733 1.644379       9.111526 
1 1 1 -8  19 3  o 167.5957 3.768585 1376.571       61.82264 1304.000       123.3429 1400.920       71.44512 162.5731 7.773550 168.9799 4.323029 -6.406830      8.894754 
1 1 1 -8  19 4  f 206.5758 6.087142 2097.858       122.9491 0.000000       0.000000 2097.858       122.9491 ?        ?        206.5758 6.087142 ?              ?        
1 1 1 -8  19 5  o 134.6091 4.659526 889.7556       61.30093 0.000000       0.000000 889.7556       61.30093 ?        ?        134.6091 4.659526 ?              ?        
1 1 1 -8  19 6  o 114.0549 4.345314 638.7814       48.42238 0.000000       0.000000 638.7814       48.42238 ?        ?        114.0549 4.345314 ?              ?        
1 1 1 -8  19 7  o 176.7415 5.597236 1535.255       96.70977 1522.000       138.1277 1548.000       135.4482 175.5811 8.058542 177.1198 7.832041 -1.538742      11.23748 
1 1 1 -8  19 8  o 181.6658 4.662334 1619.910       82.83689 1611.178       101.8240 1637.000       142.4483 181.0373 5.753440 182.1068 8.011043 -1.069534      9.863005 
1 1 1 -8  19 9  o 95.60522 3.969667 448.8621       37.06774 433.7117       46.15137 476.4000       62.22132 93.87610 5.041028 98.22735 6.508133 -4.351250      8.232118 
1 1 1 -8  19 10 o 167.0210 3.764983 1367.380       61.55173 1408.002       90.94317 1333.043       83.61272 169.2476 5.496899 164.7149 5.192496 4.532761       7.561608 
1 1 1 -8  19 11 o 167.9798 3.780338 1383.195       62.15755 1396.685       90.97443 1371.384       85.12494 168.5554 5.521498 167.0607 5.212041 1.494675       7.592912 
1 1 1 -8  19 12 o 147.2174 4.916583 1064.817       70.74879 1086.000       108.2079 1049.000       93.50291 148.3033 7.478352 145.8978 6.564230 2.405518       9.950622 
1 1 1 -8  19 13 f 285.5821 7.957993 4024.342       222.2374 4031.000       318.1962 4018.000       310.5264 284.5836 11.44632 284.2313 11.18327 0.3522949      16.00262 
1 1 1 -8  19 14 o 179.0461 3.928469 1571.869       68.84849 1566.885       98.96346 1576.544       95.84435 178.4928 5.671522 179.0723 5.474471 -0.5795746     7.882638 
1 1 1 -8  19 15 o 115.4878 3.272270 654.1597       36.95332 672.9201       55.40090 639.1230       49.59891 116.9847 4.848684 114.0465 4.451627 2.938202       6.582304 
1 1 1 -8  19 16 o 114.3350 3.631004 641.5509       40.58457 687.3000       72.35702 620.5518       49.02181 118.0299 6.285667 112.3661 4.465948 5.663757       7.710661 
1 1 1 -8  19 17 o 103.6255 3.267820 526.8575       33.10455 511.8620       49.04826 539.4042       44.86475 101.9751 4.928459 104.7498 4.385383 -2.774750      6.597066 
1 1 1 -8  19 18 o 62.43637 3.605728 191.7882       21.94247 210.2244       32.93105 177.0672       29.42652 65.20449 5.202793 59.82343 5.073086 5.381065       7.266722 
1 1 1 -8  19 19 o 177.6129 3.923785 1547.640       68.21595 1497.714       95.72572 1599.154       97.23586 174.4164 5.614374 180.2500 5.517682 -5.833649      7.871849 
1 1 1 -8  19 20 o 36.68617 6.301161 68.15864       21.81215 63.09000       29.48010 74.29000       32.42364 34.99718 8.654721 37.95877 8.884619 -2.961582      12.40325 
1 1 1 -8  19 21 o 181.8183 5.829239 1629.692       103.6082 1545.000       144.6182 1719.000       148.5075 176.3365 8.402836 186.0958 8.172706 -9.759369      11.72181 
1 1 1 -8  19 22 o 244.1783 4.943248 2932.474       118.1478 3074.643       172.6329 2807.213       162.0420 249.2848 7.082098 238.2338 6.956383 11.05107       9.927104 
1 1 1 -8  19 23 o 220.6465 5.314363 2397.844       114.7769 2402.000       204.1235 2395.923       138.7973 219.1112 9.540349 220.1387 6.448323 -1.027420      11.51517 
1 1 1 -8  19 24 o 114.8907 3.903980 649.2615       43.83966 696.9000       86.90531 633.0009       50.77332 118.2460 7.547915 113.3332 4.586380 4.912743       8.832095 
1 1 1 -8  19 25 o 84.98363 4.487289 356.4510       37.19493 0.000000       0.000000 356.4510       37.19493 ?        ?        84.98363 4.487289 ?              ?        
1 1 1 -8  19 26 o 160.5260 4.364574 1269.842       68.51573 1333.000       127.6376 1244.276       81.20765 163.1631 8.016452 158.6621 5.236158 4.500992       9.575011 
1 1 1 -8  19 27 o 82.54057 4.006065 336.1755       32.26954 331.8000       66.12693 337.5432       36.97044 80.86953 8.479825 82.60375 4.590501 -1.734222      9.642621 
1 1 1 -8  19 28 o 128.9095 3.364131 817.6346       42.41238 813.7540       60.12760 821.4774       59.83382 128.2516 4.798122 128.8730 4.751413 -0.6213837     6.752622 
1 1 1 -8  19 29 o 86.62447 3.140647 369.3997       26.58560 355.1337       36.41963 385.6735       38.89805 84.69242 4.408413 88.24294 4.518455 -3.550522      6.312729 
1 1 1 -8  19 30 o 159.4384 4.281747 1256.737       66.76163 1223.234       81.32040 1326.000       116.9265 156.8772 5.303450 162.1868 7.384686 -5.309662      9.091763 
1 1 1 -8  19 31 o 55.77691 3.851488 154.2869       20.89846 147.3705       24.66274 171.9000       39.35656 54.33421 4.682914 58.03505 7.074206 -3.700832      8.483753 
1 1 1 -8  19 32 o 69.95348 3.284660 241.6443       22.42805 240.5818       29.77658 243.0376       34.09664 69.55546 4.396072 69.74238 5.028450 -0.1869202     6.679128 
1 1 1 -8  19 33 o 34.97980 4.906247 61.98604       16.33738 68.65000       20.83138 51.33758       26.33267 36.55631 6.031884 31.11084 8.436388 5.445477       10.37093 
1 1 1 -8  19 34 o 61.98715 3.385359 190.1999       20.46261 185.1405       27.45989 196.5175       30.68494 60.85191 4.645296 62.58560 5.051822 -1.733696      6.862920 
1 1 1 -8  19 35 o 53.97223 3.511856 144.5458       18.45221 158.6251       24.85070 127.2444       27.54799 56.29782 4.548321 50.04484 5.726734 6.252983       7.313187 
1 1 1 -8  19 36 o 80.74637 3.154398 322.2627       24.88338 331.8311       34.54522 311.9445       35.87316 81.58321 4.341578 78.98320 4.660833 2.600014       6.369668 
1 1 1 -8  19 37 o 69.98875 3.294247 242.6338       22.50454 277.6423       31.51582 206.2113       32.14598 74.56067 4.337019 63.93676 5.180879 10.62391       6.756570 
1 1 1 -8  19 38 o 78.18383 3.870682 304.3927       29.52965 296.1117       33.98671 329.9000       59.64863 76.86407 4.537493 79.40747 7.773674 -2.543404      9.001048 
1 1 1 -8  19 39 o 23.50141 7.990581 27.63938       21.96459 11.02000       54.30122 30.89053       24.01709 26.65081 11.48034 24.68155 8.355978 1.969255       14.19931 
1 1 1 -8  19 40 o 100.3812 3.187658 499.9742       31.28092 518.7368       44.48158 481.6173       43.99820 101.5762 4.484912 97.79465 4.609325 3.781555       6.431199 
1 1 1 -8  19 41 o 57.02119 3.463845 162.3635       19.24188 161.0378       26.32853 163.8834       28.19112 56.26582 4.827127 56.62158 5.142598 -0.3557587     7.053188 
1 1 1 -8  19 42 f 40.10904 4.159569 81.53931       16.09359 92.00848       22.18413 69.90835       23.38268 42.11396 5.513892 36.05971 6.875571 6.054249       8.813426 
1 1 1 -8  19 43 o 22.03277 6.314519 25.92845       14.31893 46.25347       18.96938 -0.9909578     21.83084 29.18840 6.770926 16.46042 7.183424 12.72798       9.871526 
1 1 1 -8  19 44 o 31.31553 5.057216 51.08929       14.97360 51.08929       14.97360 0.000000       0.000000 31.31553 5.057216 ?        ?        ?              ?        
1 1 1 -8  19 45 o 16.31808 6.003605 11.62779       12.60594 12.41382       13.18143 3.211000       43.13371 16.75113 6.143094 22.66247 9.987101 -5.911339      11.72518 
1 1 1 -8  19 46 o 53.49400 3.687087 144.1540       19.18801 155.0601       21.02930 89.93000       46.89076 55.39565 3.903303 37.69806 11.58731 17.69760       12.22709 
1 1 1 -8  19 47 o 31.85601 4.906516 52.97223       14.80887 45.20480       15.65571 119.0000       45.64540 29.07190 5.705475 44.01497 10.70021 -14.94307      12.12629 
1 1 1 -8  19 48 o 30.77805 4.933509 49.70994       14.36096 49.27641       15.28057 52.99000       42.03119 30.48431 5.314114 29.84052 10.96525 0.6437931      12.18509 
1 1 1 -8  19 49 f 16.77848 6.205360 12.62635       13.49751 13.47574       14.32812 5.931000       40.22744 17.26801 6.392163 21.95579 9.661388 -4.687778      11.58457 
1 1 1 -8  19 50 o 17.95068 6.217055 16.06726       13.31336 8.911109       14.07821 76.61000       40.94857 15.77289 6.210118 34.69814 10.85540 -18.92525      12.50621 
1 1 1 -8  19 51 o 33.44864 4.743633 58.43295       15.09574 59.08431       16.15069 53.93000       42.46479 33.48572 5.087317 29.77232 11.00743 3.713400       12.12618 
1 1 1 -8  19 52 o 19.67205 6.398778 20.52881       14.11899 21.28639       15.03284 14.86000       41.12195 20.03542 6.607640 23.17950 9.987796 -3.144083      11.97568 
1 1 1 -8  19 53 o 39.39579 4.505614 80.35771       17.06228 80.35771       17.06228 0.000000       0.000000 39.39579 4.505614 ?        ?        ?              ?        
1 1 1 -8  19 54 f 31.88433 4.838794 53.48767       14.62784 52.82172       15.51765 58.80000       43.82732 31.51219 5.212953 30.41045 11.19328 1.101740       12.34765 
1 1 1 -8  19 55 o 28.84616 11.00853 51.34000       43.20483 0.000000       0.000000 51.34000       43.20483 ?        ?        28.84616 11.00853 ?              ?        
1 1 1 -8  19 56 o 15.87918 7.448306 -19.24453      29.24952 -6.724000      41.73568 -31.33000      41.00415 20.29865 9.300815 17.86450 8.508815 2.434153       12.60576 
1 1 1 -8  19 57 o 21.94160 8.971642 21.24463       30.57461 3.759000       43.97971 37.60000       42.53456 21.68802 9.783077 26.00382 10.60110 -4.315800      14.42539 
1 1 1 -8  20 1  o 374.9862 7.179938 6919.584       263.5374 7065.000       536.1080 6873.249       302.6260 375.4386 14.61630 373.3931 8.280066 2.045563       16.79869 
1 1 1 -8  20 2  o 126.4473 5.064139 785.9078       62.55213 855.0000       94.09743 731.2000       83.73133 131.5959 7.334165 121.7063 7.058891 9.889633       10.17929 
1 1 1 -8  20 3  o 169.0651 5.451912 1404.800       90.10331 0.000000       0.000000 1404.800       90.10331 ?        ?        169.0651 5.451912 ?              ?        
1 1 1 -8  20 4  o 39.32552 5.386720 77.32779       20.19069 167.1000       53.10441 62.15756       21.83010 57.35423 9.811737 34.98681 6.616811 22.36742       11.83437 
1 1 1 -8  20 5  o 269.6490 5.357811 3569.729       141.4140 3264.000       268.8974 3686.613       166.2629 256.4200 10.73719 273.8823 6.201908 -17.46228      12.39963 
1 1 1 -8  20 6  o 57.80725 3.627322 164.4259       20.42114 187.8000       56.36560 160.8943       21.90963 60.88269 9.790175 57.15260 3.940573 3.730095       10.55347 
1 1 1 -8  20 7  o 301.5974 5.888724 4469.087       173.8421 4456.000       349.7281 4473.381       200.3469 299.1178 11.96906 301.5503 6.787606 -2.432495      13.75972 
1 1 1 -8  20 8  o 35.67953 7.481400 65.03041       25.29197 116.7000       52.42957 49.35975       28.87371 47.54366 11.41148 31.25684 8.969516 16.28682       14.51461 
1 1 1 -8  20 9  o 80.57602 4.090554 319.1846       32.15666 280.1000       60.77083 334.3839       37.89687 74.88110 8.437926 82.41756 4.717319 -7.536461      9.667042 
1 1 1 -8  20 10 o 159.5692 5.346190 1251.777       83.38461 1293.000       122.3297 1216.000       113.9618 161.7835 7.747388 156.9387 7.439800 4.844772       10.74117 
1 1 1 -8  20 11 o 199.6348 4.902699 1956.191       95.80269 2033.221       122.7212 1836.000       153.2930 203.2622 6.175337 192.7457 8.143500 10.51642       10.22015 
1 1 1 -8  20 12 o 127.3439 4.665952 796.8828       58.06171 739.8000       88.98653 839.2000       76.61797 122.2970 7.469273 130.5144 6.013602 -8.217377      9.589236 
1 1 1 -8  20 13 o 216.6500 5.185935 2305.196       109.9745 2367.000       198.4920 2277.821       132.1041 218.5026 9.301972 215.0948 6.281243 3.407745       11.22411 
1 1 1 -8  20 14 f 182.0732 5.554522 1630.742       98.87597 0.000000       0.000000 1630.742       98.87597 ?        ?        182.0732 5.554522 ?              ?        
1 1 1 -8  20 15 o 184.1245 4.586648 1664.217       82.66338 1657.000       144.8171 1667.705       100.6763 182.9661 8.106297 184.0986 5.593385 -1.132416      9.848757 
1 1 1 -8  20 16 o 167.8782 3.799572 1382.289       62.43602 1400.597       91.24804 1366.171       85.61651 168.6940 5.533576 166.6516 5.255150 2.042404       7.631321 
1 1 1 -8  20 17 o 170.0464 3.828466 1418.419       63.72333 1378.987       90.84302 1456.618       89.41084 167.3645 5.552949 172.0578 5.315336 -4.693314      7.686875 
1 1 1 -8  20 18 o 17.69635 6.814172 10.15474       16.65419 45.72035       28.31617 -8.654801      20.59248 30.14886 8.948760 15.19240 6.785903 14.95645       11.23071 
1 1 1 -8  20 19 o 66.20853 3.471799 215.5945       22.42098 202.6333       33.74416 225.8397       30.00098 63.94611 5.442787 67.65098 4.557184 -3.704865      7.098722 
1 1 1 -8  20 20 o 78.66293 3.316444 304.0334       25.47848 291.4742       37.04149 315.3112       35.10081 76.83007 4.951879 79.98153 4.501712 -3.151459      6.692273 
1 1 1 -8  20 21 o 131.3720 5.138739 850.7527       65.95187 820.5000       95.80742 878.0000       90.92411 128.4499 7.654795 133.0576 7.005938 -4.607712      10.37685 
1 1 1 -8  20 22 o 135.6338 4.006455 904.6111       53.13224 1010.000       104.5446 867.9103       61.69387 142.4975 7.521927 132.7228 4.756562 9.774673       8.899678 
1 1 1 -8  20 23 o 170.0564 3.821114 1420.896       63.60471 1457.297       92.10400 1387.711       87.94160 171.7802 5.484740 167.6572 5.365689 4.123047       7.672874 
1 1 1 -8  20 24 o 151.7544 4.217464 1133.961       62.58607 1172.000       116.9293 1118.687       74.09305 153.1597 7.825545 150.5342 5.035562 2.625504       9.305699 
1 1 1 -8  20 25 o 89.40617 3.141226 392.9976       27.44717 354.9804       38.48911 432.3351       39.15170 84.72953 4.658772 93.60117 4.284662 -8.871635      6.329493 
1 1 1 -8  20 26 o 150.0300 3.567694 1106.987       52.39284 1023.094       71.92676 1201.817       76.47121 143.7763 5.119064 155.8765 5.018540 -12.10020      7.168721 
1 1 1 -8  20 27 f 78.13765 3.183971 300.5946       24.30105 298.2668       34.01884 303.0202       34.72582 77.60539 4.497655 78.21145 4.555753 -0.6060562     6.401858 
1 1 1 -8  20 28 o 130.9435 3.370082 844.2228       43.15881 836.7557       61.02350 851.6958       61.04805 129.9609 4.805368 131.1310 4.764118 -1.170120      6.766711 
1 1 1 -8  20 29 o 58.42619 3.879716 169.1183       22.06209 186.9451       27.48125 136.8000       37.00194 61.29284 4.614466 51.60544 7.548499 9.687397       8.847211 
1 1 1 -8  20 30 o 101.3954 3.217093 506.7679       31.88881 532.8116       45.55317 481.7406       44.65540 103.6218 4.501931 98.47681 4.645793 5.144981       6.469218 
1 1 1 -8  20 31 o 53.23594 3.599272 140.4730       18.64512 153.7253       24.93560 123.6679       28.07992 55.47990 4.634034 49.38731 5.926906 6.092594       7.523462 
1 1 1 -8  20 32 o 29.56879 5.487823 44.99460       15.29864 41.87000       19.89545 49.51496       23.93003 28.21858 7.185032 30.58549 7.928421 -2.366919      10.69975 
1 1 1 -8  20 33 o 106.4063 3.132008 558.6660       32.58542 550.3196       45.84627 567.1868       46.32292 105.1686 4.463756 106.7794 4.441723 -1.610794      6.297144 
1 1 1 -8  20 34 o 89.69796 3.091436 397.2268       27.10188 452.6360       40.04818 350.4114       36.81171 95.37622 4.300859 83.82613 4.502951 11.55009       6.226874 
1 1 1 -8  20 35 o 18.82796 6.012143 17.61192       12.50232 18.70452       15.58500 15.63947       20.94005 19.80189 6.730883 20.16914 7.671892 -0.3672504     10.20601 
1 1 1 -8  20 36 o 70.80840 3.117334 248.0354       21.55304 284.0522       30.56411 212.4095       30.39778 75.48023 4.152877 65.02693 4.809805 10.45330       6.354574 
1 1 1 -8  20 37 o 46.47386 4.336770 108.5740       19.50016 101.8763       21.37004 141.9000       47.66868 44.82457 4.953125 50.71051 9.959027 -5.885941      11.12275 
1 1 1 -8  20 38 o 26.05715 7.429822 36.28287       19.87323 9.448000       52.19413 40.83289       21.49211 26.07918 11.24492 27.54462 7.682680 -1.465435      13.61880 
1 1 1 -8  20 39 o 93.77783 3.764546 438.7051       34.48542 449.4287       40.87053 412.2000       64.25439 94.57843 4.427094 88.46808 7.490437 6.110352       8.700909 
1 1 1 -8  20 40 o 60.57840 6.663669 192.5581       38.86099 159.1000       59.39610 217.6000       51.38559 51.28127 12.04013 63.15361 8.530534 -11.87235      14.75584 
1 1 1 -8  20 41 o 49.64382 7.707937 133.3633       36.24079 137.1000       59.00642 131.1000       45.92308 46.81916 12.59994 47.61688 10.16251 -0.7977219     16.18750 
1 1 1 -8  20 42 o 29.77953 11.91771 42.54000       52.65921 42.54000       52.65921 0.000000       0.000000 29.77953 11.91771 ?        ?        ?              ?        
1 1 1 -8  20 43 o 20.53571 9.560218 -25.71000      46.72033 -25.71000      46.72033 0.000000       0.000000 20.53571 9.560218 ?        ?        ?              ?        
1 1 1 -8  20 44 o 29.94288 11.18883 49.63000       44.09663 0.000000       0.000000 49.63000       44.09663 ?        ?        29.94288 11.18883 ?              ?        
1 1 1 -8  20 45 o 54.25358 9.540144 170.3000       48.81422 0.000000       0.000000 170.3000       48.81422 ?        ?        54.25358 9.540144 ?              ?        
1 1 1 -8  20 46 o 37.36922 9.082226 81.50426       32.89153 53.41000       49.44761 103.8000       44.05016 30.56598 11.74883 40.97823 10.82313 -10.41224      15.97420 
1 1 1 -8  20 47 o 34.48265 4.559792 61.55344       15.01363 57.85362       16.07858 86.74000       41.95101 33.18697 5.113656 37.08937 10.86178 -3.902409      12.00532 
1 1 1 -8  20 48 o 37.39672 11.15497 90.17000       43.91385 0.000000       0.000000 90.17000       43.91385 ?        ?        37.39672 11.15497 ?              ?        
1 1 1 -8  20 49 o 21.31121 8.896468 14.36833       30.92118 5.035000       47.34616 21.31000       40.83176 23.14600 10.31725 24.16796 10.16494 -1.021969      14.48350 
1 1 1 -8  20 50 o 63.09213 6.238687 213.2677       38.02401 244.9000       59.47481 191.4000       49.45038 63.88757 9.824889 57.06810 9.162603 6.819462       13.43435 
1 1 1 -8  20 51 o 27.20096 9.608108 43.18797       31.89315 41.72000       49.22536 44.25000       41.86966 27.95886 11.40206 27.86856 10.78485 0.9030342E-01  15.69458 
1 1 1 -8  20 52 o 23.54364 10.36090 11.48000       46.27180 11.48000       46.27180 0.000000       0.000000 23.54364 10.36090 ?        ?        ?              ?        
1 1 1 -8  20 53 o 17.39491 7.938783 -9.320301      30.01296 -39.87000      44.49631 16.18000       40.65306 18.20169 8.722135 23.13492 9.949212 -4.933229      13.23112 
1 1 1 -8  20 54 o 16.84313 8.119406 -42.86000      39.90324 0.000000       0.000000 -42.86000      39.90324 ?        ?        16.84313 8.119406 ?              ?        
1 1 1 -8  20 55 o 29.15816 9.449223 52.73141       30.80547 43.25000       43.95996 61.88000       43.18149 27.31132 10.90268 30.61959 11.13585 -3.308270      15.58447 
1 1 1 -8  20 56 o 36.79835 9.047207 83.84711       32.35484 134.1000       47.30946 39.69000       44.34735 44.80235 10.89467 26.45290 10.80930 18.34944       15.34714 
1 1 1 -8  21 1  o 157.2999 3.708000 1212.911       57.09188 1169.000       117.9306 1226.352       65.24751 153.8007 7.859674 158.0757 4.220669 -4.275055      8.921240 
1 1 1 -8  21 2  o 188.9650 4.101759 1751.027       75.86787 1942.000       164.8347 1699.696       85.45787 198.1817 8.517143 186.0592 4.696150 12.12250       9.726025 
1 1 1 -8  21 3  o 88.05493 3.341418 380.5181       28.74763 319.6000       65.63509 394.9785       31.97809 80.03123 8.508854 89.69151 3.650087 -9.660278      9.258711 
1 1 1 -8  21 4  o 158.3147 4.215911 1230.093       65.27278 0.000000       0.000000 1230.093       65.27278 ?        ?        158.3147 4.215911 ?              ?        
1 1 1 -8  21 5  o 155.9640 5.108129 1195.467       77.87646 0.000000       0.000000 1195.467       77.87646 ?        ?        155.9640 5.108129 ?              ?        
1 1 1 -8  21 6  o 115.3006 3.798178 652.4741       42.80751 715.2000       85.49789 631.4889       49.45245 120.2831 7.296116 113.3675 4.465222 6.915581       8.554035 
1 1 1 -8  21 7  o 148.0278 4.246556 1075.656       61.46631 1134.000       113.0201 1051.151       73.24563 151.4897 7.646687 146.2294 5.125223 5.260284       9.205419 
1 1 1 -8  21 8  o 68.38340 4.570786 230.4771       30.41915 220.8000       59.32386 233.9291       35.43169 66.16123 9.426857 68.81358 5.301146 -2.652351      10.81516 
1 1 1 -8  21 9  o 85.53011 4.149221 359.6539       34.63332 361.5000       65.98051 358.9518       40.68944 85.22962 8.002571 85.37128 4.889720 -0.1416626     9.378194 
1 1 1 -8  21 10 o 172.9334 5.593084 1471.186       94.55074 1407.000       132.8856 1537.000       134.5600 168.6437 8.073555 176.3374 7.815296 -7.693726      11.23660 
1 1 1 -8  21 11 o 160.8769 3.716452 1269.060       58.52325 1281.000       123.3665 1265.592       66.47972 160.9208 7.855848 160.5566 4.233836 0.3642273      8.924109 
1 1 1 -8  21 12 o 13.05671 5.647071 -1.773733      13.24244 -55.21000      49.99343 2.258442       13.73298 20.40503 9.622845 14.31772 5.949045 6.087313       11.31328 
1 1 1 -8  21 13 o 73.04425 3.542270 262.2210       25.25092 0.000000       0.000000 262.2210       25.25092 ?        ?        73.04425 3.542270 ?              ?        
1 1 1 -8  21 14 o 52.97840 4.583328 138.8227       23.53409 0.000000       0.000000 138.8227       23.53409 ?        ?        52.97840 4.583328 ?              ?        
1 1 1 -8  21 15 f 234.1082 5.526692 2695.455       126.6451 2707.000       224.8725 2690.092       153.2621 233.1674 9.875221 233.5109 6.712314 -0.3434753     11.94048 
1 1 1 -8  21 16 o 77.66028 3.801097 296.6098       28.80665 209.3000       62.47381 320.1855       32.46374 64.04745 10.31560 80.66116 4.125464 -16.61372      11.10995 
1 1 1 -8  21 17 o 189.2125 4.101685 1757.564       75.96583 1762.943       109.8152 1752.627       105.1974 189.0922 5.940480 188.5916 5.705268 0.5006256      8.236466 
1 1 1 -8  21 18 o 122.2884 3.321368 734.0157       39.71971 757.2247       59.17016 714.9791       53.58807 124.0015 4.884498 120.5374 4.550096 3.464134       6.675455 
1 1 1 -8  21 19 o 35.45261 6.434238 63.93356       21.50602 52.31000       34.41605 71.38000       27.54645 32.31637 9.925920 37.27197 7.801291 -4.955593      12.62474 
1 1 1 -8  21 20 o 177.3303 5.453807 1551.184       94.55235 1536.000       134.5429 1566.000       132.9065 175.7261 7.841766 177.4994 7.667763 -1.773361      10.96758 
1 1 1 -8  21 21 o 79.24133 3.339438 308.7475       25.84382 304.1298       38.37212 312.5811       34.96271 78.41451 5.025804 79.58186 4.506750 -1.167343      6.750518 
1 1 1 -8  21 22 o 158.6476 3.682200 1236.583       57.18037 1292.198       84.01623 1188.593       78.04415 161.7533 5.313660 155.1703 5.145487 6.582916       7.396690 
1 1 1 -8  21 23 o 142.8905 4.126143 1005.566       57.64991 835.2000       99.78783 1090.915       70.62935 129.1042 7.934765 148.6575 4.860447 -19.55330      9.305077 
1 1 1 -8  21 24 o 55.28663 3.697740 150.9919       19.89567 110.2568       28.87952 187.7899       27.44845 46.68513 6.495504 61.54401 4.589484 -14.85887      7.953298 
1 1 1 -8  21 25 o 93.92394 3.835611 435.0092       35.18864 363.7000       69.13261 459.9446       40.88064 84.61223 8.460597 96.48270 4.339854 -11.87047      9.508735 
1 1 1 -8  21 26 o 87.61039 3.184456 377.8467       27.26302 328.0511       37.98595 430.7463       39.15195 81.31820 4.793577 93.33434 4.297072 -12.01614      6.437640 
1 1 1 -8  21 27 o 33.78733 5.140075 57.82597       16.46409 48.23577       22.72600 68.41901       23.88467 30.38190 7.648311 36.38970 6.959075 -6.007799      10.34047 
1 1 1 -8  21 28 o 70.47739 3.656709 245.5137       25.13962 225.2268       31.82155 279.2000       41.00525 67.23473 4.868250 74.67886 5.651600 -7.444130      7.459253 
1 1 1 -8  21 29 o 123.8115 3.304494 755.7675       40.01140 732.5204       56.13076 779.7819       57.04976 121.4248 4.731723 125.3145 4.659113 -3.889626      6.640522 
1 1 1 -8  21 30 o 71.80807 4.217539 256.1432       29.51360 223.2000       34.87302 339.3000       55.40578 66.69692 5.387489 81.69574 6.995941 -14.99882      8.829962 
1 1 1 -8  21 31 o 69.03629 3.322896 235.6015       22.38841 282.9000       35.23382 203.5715       28.99439 75.27206 4.807236 63.84182 4.672186 11.43023       6.703644 
1 1 1 -8  21 32 o 63.49995 3.060387 199.1949       18.96599 205.6568       26.96815 192.8712       26.67812 64.23353 4.314288 62.16974 4.412673 2.063786       6.171285 
1 1 1 -8  21 33 o 17.71735 6.201574 14.24975       13.26563 10.28697       13.93741 52.41000       43.25013 16.56485 6.268677 32.11474 11.20074 -15.54989      12.83561 
1 1 1 -8  21 34 o 25.27820 9.586131 26.55886       32.63289 97.23000       51.68801 -20.28000      42.07963 41.41250 12.03651 20.64019 9.412312 20.77231       15.27970 
1 1 1 -8  21 35 o 87.57318 5.314244 386.4272       45.33878 422.3000       68.32274 358.2000       60.60603 90.09380 7.825079 83.11259 7.531442 6.981209       10.86069 
1 1 1 -8  21 36 o 19.23197 8.515611 -5.989589      31.71751 -50.52000      47.83072 28.96000       42.37402 19.35065 9.209089 27.26644 10.76206 -7.915787      14.16437 
1 1 1 -8  21 37 o 21.33735 8.960340 8.334521       31.64990 29.40000       49.55245 -6.181000      41.13351 28.29560 11.47675 21.72631 9.654584 6.569290       14.99756 
1 1 1 -8  21 38 o 55.97567 7.082045 165.0074       37.93582 125.4000       58.12397 194.4000       50.07093 45.39930 12.62376 59.72458 8.830867 -14.32528      15.40596 
1 1 1 -8  21 39 o 21.67094 9.089096 10.49695       32.50338 0.8368000      51.33757 16.96000       41.99158 24.47135 10.83478 24.71241 10.34552 -0.2410679     14.98073 
1 1 1 -8  21 40 o 50.33346 7.527505 136.4938       35.94910 93.53000       56.28271 166.1000       46.72134 38.70701 12.78623 54.56313 9.066050 -15.85612      15.67421 
1 1 1 -8  21 41 o 22.06515 10.12232 -16.90000      49.63378 -16.90000      49.63378 0.000000       0.000000 22.06515 10.12232 ?        ?        ?              ?        
1 1 1 -8  21 42 o 31.93317 9.746291 59.24452       33.24880 52.99000       50.14956 64.15000       44.41312 31.04156 11.85691 32.87844 11.35680 -1.836885      16.41838 
1 1 1 -8  21 43 o 22.40736 9.856941 3.094000       41.84143 0.000000       0.000000 3.094000       41.84143 ?        ?        22.40736 9.856941 ?              ?        
1 1 1 -8  21 44 o 28.37759 9.752680 45.57211       32.73854 -6.268000      49.03063 87.28000       43.97882 22.71274 10.27939 37.47540 11.15953 -14.76266      15.17238 
1 1 1 -8  21 45 o 34.42020 9.294428 69.82942       32.04226 95.88000       48.41792 49.53000       42.74047 38.63708 11.75509 29.52512 11.01889 9.111961       16.11205 
1 1 1 -8  21 46 o 64.22532 5.967992 217.7880       37.08884 272.9000       57.40584 178.3000       48.59211 69.33922 8.645350 55.33877 9.300327 14.00045       12.69796 
1 1 1 -8  21 47 o 26.73124 9.451342 40.56926       30.86689 20.44000       47.49298 55.29000       40.61443 25.08035 10.76928 30.17628 10.82305 -5.095932      15.26813 
1 1 1 -8  21 48 f 27.10766 9.525656 42.43755       31.31795 44.45000       48.51667 41.00000       41.00536 28.47000 11.42372 27.36209 10.64960 1.107904       15.61779 
1 1 1 -8  21 49 o 19.04622 8.917607 -22.89000      41.60595 0.000000       0.000000 -22.89000      41.60595 ?        ?        19.04622 8.917607 ?              ?        
1 1 1 -8  21 50 o 25.16299 9.474704 34.10655       31.74810 93.15000       49.88536 -6.088000      41.15957 36.93158 12.02873 20.59003 9.358062 16.34155       15.24020 
1 1 1 -8  21 51 o 36.00142 12.04773 88.86000       49.93262 88.86000       49.93262 0.000000       0.000000 36.00142 12.04773 ?        ?        ?              ?        
1 1 1 -8  21 52 o 21.73537 9.004177 17.38627       31.32851 -2.488000      47.00565 33.27000       42.02238 22.01908 10.00482 25.87450 10.54132 -3.855419      14.53327 
1 1 1 -8  21 53 o 24.44583 10.28885 24.38000       41.87856 0.000000       0.000000 24.38000       41.87856 ?        ?        24.44583 10.28885 ?              ?        
1 1 1 -8  21 54 o 38.15037 8.753155 87.48120       31.99140 76.21000       45.10604 98.89000       45.38054 33.39027 11.44847 38.12459 11.33184 -4.734322      16.10832 
1 1 1 -8  21 55 o 32.69488 9.192691 66.82690       30.63997 61.53000       43.80672 71.90000       42.87135 30.27040 11.18207 32.36287 11.15885 -2.092476      15.79743 
1 1 1 -8  21 56 o 21.79090 8.872298 21.51926       29.74742 44.88000       42.95092 -0.1708000E-01 41.23966 27.06706 10.78622 20.69576 9.390749 6.371296       14.30136 
1 1 1 -8  22 1  o 168.9025 3.868895 1398.903       63.96307 1402.000       133.1211 1397.973       72.93384 168.3505 8.102199 168.7394 4.419575 -0.3888245     9.229207 
1 1 1 -8  22 2  o 296.8761 8.313014 4355.397       241.3305 4196.000       335.1695 4527.000       347.7647 289.9587 11.83411 301.2030 11.81854 -11.24435      16.72495 
1 1 1 -8  22 3  o 129.2781 3.448941 819.7975       43.60425 815.7000       94.44122 820.9076       49.15746 128.4076 7.547165 129.3262 3.887675 -0.9186401     8.489624 
1 1 1 -8  22 4  o 168.9083 3.808318 1398.961       62.96371 1551.000       139.4749 1360.046       70.56304 177.0844 8.067738 166.4397 4.334950 10.64478       9.158612 
1 1 1 -8  22 5  o 143.0577 3.504567 1003.251       49.07405 1131.000       111.6457 972.6588       54.63494 151.2566 7.564881 140.7716 3.969016 10.48494       8.542863 
1 1 1 -8  22 6  o 48.94389 5.039519 118.8751       23.79847 0.000000       0.000000 118.8751       23.79847 ?        ?        48.94389 5.039519 ?              ?        
1 1 1 -8  22 7  f 273.0201 6.264596 3667.952       167.4148 3480.000       283.9409 3768.111       207.2768 264.2289 11.00253 276.2450 7.673101 -12.01605      13.41388 
1 1 1 -8  22 8  f 85.88526 3.588901 362.2943       30.10428 453.0000       70.82281 342.2914       33.25841 95.51508 7.638834 83.43137 4.084963 12.08372       8.662489 
1 1 1 -8  22 9  o 153.0366 4.132493 1149.931       61.84664 1232.000       119.0409 1119.589       72.38219 157.7827 7.731348 150.9023 4.906903 6.880371       9.157043 
1 1 1 -8  22 10 o 59.83952 4.559194 176.8046       26.50335 134.0000       56.59521 188.8286       29.99571 50.83088 11.62777 61.79906 5.001436 -10.96819      12.65778 
1 1 1 -8  22 11 o 115.0059 3.891351 649.5585       43.74223 735.6000       85.99798 619.5289       50.80529 121.8986 7.240091 112.2307 4.634751 9.667885       8.596501 
1 1 1 -8  22 12 o 24.26375 6.406927 30.03983       15.43869 0.000000       0.000000 30.03983       15.43869 ?        ?        24.26375 6.406927 ?              ?        
1 1 1 -8  22 13 o 76.15273 3.384833 284.9323       25.16763 0.000000       0.000000 284.9323       25.16763 ?        ?        76.15273 3.384833 ?              ?        
1 1 1 -8  22 14 o 66.84538 3.848357 219.9842       25.07341 193.3000       60.37656 225.5453       27.56253 61.45511 10.40811 67.65205 4.182741 -6.196941      11.21713 
1 1 1 -8  22 15 o 189.6625 4.740362 1767.980       88.00332 1754.000       157.6742 1774.305       106.0599 187.8164 8.599532 189.7350 5.717333 -1.918533      10.32666 
1 1 1 -8  22 16 o 149.9995 4.157773 1105.844       60.98706 1055.000       112.0546 1127.244       72.69752 145.7067 7.886159 151.3187 4.914701 -5.612045      9.292244 
1 1 1 -8  22 17 o 131.2841 3.402459 846.2106       43.68626 962.8000       100.8630 819.2881       48.46846 139.2373 7.427525 129.1211 3.839178 10.11620       8.361065 
1 1 1 -8  22 18 o 97.30002 3.239192 464.9996       30.80704 530.3000       75.97764 452.1511       33.70183 103.1302 7.579455 95.90479 3.596475 7.225426       8.389444 
1 1 1 -8  22 19 o 37.00581 5.252110 68.81735       18.49061 156.9000       55.08857 57.63377       19.62939 54.95742 10.62509 33.63279 6.190674 21.32463       12.29703 
1 1 1 -8  22 20 f 73.30199 3.733566 264.6840       26.70010 0.000000       0.000000 264.6840       26.70010 ?        ?        73.30199 3.733566 ?              ?        
1 1 1 -8  22 21 o 96.35459 3.264242 456.4171       30.74209 437.2000       71.32520 460.8016       34.06909 93.29787 7.883977 96.76988 3.603074 -3.472015      8.668289 
1 1 1 -8  22 22 o 88.90724 3.275885 388.8220       28.45960 416.5000       69.74412 383.2926       31.17301 90.94439 7.913469 88.22293 3.617539 2.721458       8.701125 
1 1 1 -8  22 23 o 151.2412 3.622576 1125.179       53.62830 1083.000       113.0554 1137.426       60.91812 146.7948 7.897255 151.8997 4.100916 -5.104950      8.898548 
1 1 1 -8  22 24 o 175.1399 3.928673 1511.125       67.34992 1369.000       134.5079 1558.681       77.80603 164.6067 8.375756 177.6455 4.478155 -13.03882      9.497746 
1 1 1 -8  22 25 o 145.6469 3.546015 1044.358       50.55312 992.7000       106.9386 1059.224       57.36804 140.2097 7.823042 146.5077 4.004154 -6.298019      8.788244 
1 1 1 -8  22 26 o 68.93929 5.919784 238.4300       39.56013 216.8000       59.37262 255.7000       53.05231 64.39700 9.721721 70.80139 7.783411 -6.404396      12.45365 
1 1 1 -8  22 27 o 107.4771 7.680883 587.1000       80.27146 587.1000       80.27146 0.000000       0.000000 107.4771 7.680883 ?        ?        ?              ?        
1 1 1 -8  22 28 o 38.25408 9.097283 78.14211       33.56391 89.46000       52.76436 70.45000       43.49917 40.47041 12.26284 36.30435 11.16066 4.166065       16.58125 
1 1 1 -8  22 29 o 81.29699 7.341338 337.6000       57.79040 0.000000       0.000000 337.6000       57.79040 ?        ?        81.29699 7.341338 ?              ?        
1 1 1 -8  22 30 o 112.3648 7.013556 642.2000       76.75450 0.000000       0.000000 642.2000       76.75450 ?        ?        112.3648 7.013556 ?              ?        
1 1 1 -8  22 31 o 103.1032 5.123455 532.0425       51.54407 540.7000       77.89823 525.3000       68.74538 102.4536 7.826982 101.5049 6.961256 0.9487076      10.47477 
1 1 1 -8  22 32 o 122.4627 5.152696 751.1497       61.62727 718.2000       89.62558 780.7000       84.87645 118.0166 7.802362 123.6407 7.042380 -5.624008      10.51057 
1 1 1 -8  22 33 o 77.97424 5.505282 306.8371       41.74803 295.0000       63.39811 315.9000       55.47354 74.71544 8.839837 78.22952 7.329874 -3.514084      11.48346 
1 1 1 -8  22 34 o 26.43583 9.618882 32.66714       32.22346 -0.2815000     49.97119 56.12000       42.15982 24.75388 10.83399 32.53872 11.07036 -7.784843      15.48962 
1 1 1 -8  22 35 o 33.20256 9.653998 60.72947       33.24514 24.11000       49.60037 90.60000       44.79715 27.72020 11.39107 39.88604 11.07935 -12.16585      15.89052 
1 1 1 -8  22 36 f 89.87341 5.160330 408.4906       45.20488 367.0000       65.64978 445.9000       62.33747 83.18801 8.167618 92.74477 6.916590 -9.556755      10.70277 
1 1 1 -8  22 37 f 16.13938 7.553143 -24.59146      29.79090 -34.59000      46.59834 -17.68000      38.74247 20.08346 9.414245 19.63592 8.983599 0.4475422      13.01280 
1 1 1 -8  22 38 o 20.40798 8.751608 4.722073       31.28794 -5.275000      48.69753 11.75000       40.83044 23.24828 10.40608 23.70716 10.07686 -0.4588795     14.48549 
1 1 1 -8  22 39 f 18.15875 8.188672 -9.387006      30.78642 18.08000       49.42524 -26.80000      39.35318 26.06527 11.08329 18.69081 8.725536 7.374454       14.10583 
1 1 1 -8  22 40 o 28.13965 11.42236 34.47000       49.12812 34.47000       49.12812 0.000000       0.000000 28.13965 11.42236 ?        ?        ?              ?        
1 1 1 -8  22 41 f 41.84681 8.463224 98.29447       33.47346 123.8000       50.25127 77.95000       44.88003 44.88940 11.41310 35.69780 11.39009 9.191597       16.12430 
1 1 1 -8  22 42 f 34.36678 11.44361 72.21000       45.05978 0.000000       0.000000 72.21000       45.05978 ?        ?        34.36678 11.44361 ?              ?        
1 1 1 -8  22 43 o 43.55611 8.358668 106.9270       34.34065 38.57000       49.90613 168.4000       47.32651 28.40903 11.51950 54.16385 9.259069 -25.75482      14.77935 
1 1 1 -8  22 44 o 31.85612 9.532454 60.11486       32.02921 81.80000       47.79646 42.44000       43.15117 35.75745 11.78164 28.24188 10.94338 7.515562       16.07995 
1 1 1 -8  22 45 o 22.99265 9.085058 23.26593       30.22676 31.18000       45.57322 17.05000       40.38895 26.49729 10.90689 23.66255 10.03864 2.834740       14.82345 
1 1 1 -8  22 46 o 33.01649 9.308810 65.51138       31.37384 115.7000       48.71466 29.94000       41.01167 42.15250 11.49304 25.56274 10.41398 16.58976       15.50938 
1 1 1 -8  22 47 o 35.43309 9.060058 75.09651       31.54182 81.66000       47.68260 69.99000       42.05861 35.00143 11.77383 33.00965 11.05725 1.991787       16.15196 
1 1 1 -8  22 48 o 52.53025 6.951205 151.1198       34.86535 142.9000       52.51205 157.6000       46.62531 46.86757 11.52773 51.31065 9.637207 -4.443089      15.02545 
1 1 1 -8  22 49 o 36.98584 9.142896 82.22009       32.90922 40.65000       50.08633 113.8000       43.65503 27.86703 11.44857 42.43438 10.55408 -14.56735      15.57108 
1 1 1 -8  22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  22 51 o 20.92693 8.828054 13.03078       30.94452 46.18000       46.81028 -12.70000      41.24117 28.34266 11.27159 19.84146 9.147540 8.501205       14.51641 
1 1 1 -8  22 52 o 26.65405 10.71488 38.30000       42.76627 0.000000       0.000000 38.30000       42.76627 ?        ?        26.65405 10.71488 ?              ?        
1 1 1 -8  22 53 o 23.44442 9.099537 28.17695       29.87290 49.70000       42.61068 7.374000       41.89180 28.43424 10.91229 22.01665 9.765617 6.417593       14.64396 
1 1 1 -8  22 54 o 17.58444 7.947614 -4.716790      29.19180 -12.20000      41.37436 2.701000       41.19311 19.62276 9.087477 21.17953 9.518227 -1.556770      13.15974 
1 1 1 -8  22 55 o 26.84263 9.403935 44.67968       30.50726 18.86000       43.06054 70.70000       43.22751 23.25475 10.11949 31.81353 11.19028 -8.558786      15.08729 
1 1 1 -8  23 1  o 249.4998 5.846653 3062.137       142.7854 3173.000       255.5425 3011.814       172.1688 252.4063 10.36530 247.0366 7.127566 5.369705       12.57941 
1 1 1 -8  23 2  o 219.4267 4.554966 2363.741       97.83199 2669.000       215.4919 2284.489       109.7996 231.7750 9.518823 215.6154 5.202533 16.15961       10.84778 
1 1 1 -8  23 3  o 89.43102 3.252657 392.5663       28.42553 504.8000       74.12260 373.2144       30.77876 100.8516 7.563753 87.16548 3.615299 13.68610       8.383361 
1 1 1 -8  23 4  o 175.3632 3.910884 1508.540       67.13046 1606.000       146.0575 1482.438       75.58737 180.0244 8.311120 173.7241 4.448776 6.300369       9.426894 
1 1 1 -8  23 5  o 134.4713 3.437089 887.1565       45.20335 969.8000       103.0415 867.4615       50.30206 139.9619 7.549293 132.9255 3.870204 7.036377       8.483531 
1 1 1 -8  23 6  o 160.6295 4.309693 1267.296       67.69946 1554.000       138.3031 1176.951       77.63675 177.1453 7.996819 154.6764 5.134988 22.46887       9.503537 
1 1 1 -8  23 7  f 61.78210 5.957982 189.5626       35.58394 116.6000       59.73251 229.7000       44.30321 47.39139 12.64332 67.93858 6.751360 -20.54719      14.33298 
1 1 1 -8  23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  23 9  f 122.6428 3.827603 738.6618       45.89265 668.8000       87.65584 765.0430       53.86512 116.0627 7.760407 124.7457 4.418371 -8.682999      8.930058 
1 1 1 -8  23 10 o 94.12633 3.179113 434.8690       29.24823 484.0000       73.25018 425.5501       31.90170 98.65530 7.645081 93.08165 3.507690 5.573647       8.411370 
1 1 1 -8  23 11 o 138.1495 4.880023 939.2548       65.88623 0.000000       0.000000 939.2548       65.88623 ?        ?        138.1495 4.880023 ?              ?        
1 1 1 -8  23 12 o 77.25865 4.166109 293.9307       31.38879 286.3000       65.34026 296.2200       35.78884 75.39049 9.034067 77.48999 4.741105 -2.099503      10.20257 
1 1 1 -8  23 13 f 89.12292 3.149579 389.9891       27.43247 338.9000       67.44572 400.1163       30.02854 82.20398 8.504842 90.24984 3.405346 -8.045860      9.161262 
1 1 1 -8  23 14 o 55.91845 3.402170 153.9715       18.53350 147.7000       57.63613 154.6947       19.57304 53.24686 11.40220 56.03105 3.587659 -2.784187      11.95330 
1 1 1 -8  23 15 o 61.06182 3.857381 183.8161       22.93735 155.8000       57.63088 189.0894       25.00301 54.73178 11.13680 61.89998 4.150619 -7.168205      11.88512 
1 1 1 -8  23 16 o 175.7915 4.508065 1520.927       77.50607 1829.000       156.5270 1420.856       89.21037 191.5072 8.370436 169.7041 5.377313 21.80312       9.948853 
1 1 1 -8  23 17 o 88.69872 3.636211 387.0406       31.50292 493.4000       73.33955 362.9757       34.88527 99.36967 7.597735 85.82185 4.165210 13.54782       8.664557 
1 1 1 -8  23 18 o 202.0447 4.296137 2008.472       84.96339 2055.000       178.2191 1994.786       96.65400 202.3764 9.019464 201.1936 4.907943 1.182846       10.26833 
1 1 1 -8  23 19 o 162.1149 3.734879 1291.890       59.26601 1318.000       125.9441 1284.463       67.16756 162.3134 7.951348 161.4886 4.252944 0.8248138      9.017287 
1 1 1 -8  23 20 o 25.20530 6.837797 32.63963       17.29449 39.77000       50.63454 31.69794       18.40110 31.70136 11.95917 24.93593 7.161942 6.765434       13.93970 
1 1 1 -8  23 21 o 135.9412 3.459834 909.1616       46.00017 837.8000       96.82667 929.9626       52.27625 129.1687 7.693135 137.3943 3.891052 -8.225616      8.621172 
1 1 1 -8  23 22 o 122.3073 3.362118 736.1315       40.21236 669.7000       86.09000 754.6703       45.47848 115.3294 7.669754 123.7551 3.758723 -8.425743      8.541260 
1 1 1 -8  23 23 o 52.95609 3.972600 139.0041       20.44183 132.7000       54.91370 140.0182       22.02472 49.66728 11.51939 53.09758 4.273766 -3.430305      12.28664 
1 1 1 -8  23 24 o 52.73424 3.898814 137.8607       19.98247 79.91000       54.67225 146.7958       21.46775 39.03846 12.58297 54.39646 4.061210 -15.35801      13.22212 
1 1 1 -8  23 25 o 86.88011 8.060761 385.5000       67.76752 385.5000       67.76752 0.000000       0.000000 86.88011 8.060761 ?        ?        ?              ?        
1 1 1 -8  23 26 o 74.17230 8.663333 284.8000       61.71426 284.8000       61.71426 0.000000       0.000000 74.17230 8.663333 ?        ?        ?              ?        
1 1 1 -8  23 27 o 107.4029 5.074884 575.2322       53.20083 549.7000       77.30898 598.2000       73.32377 103.7635 7.665786 108.6710 6.929363 -4.907516      10.33346 
1 1 1 -8  23 28 o 47.67567 10.24264 123.2000       46.37295 0.000000       0.000000 123.2000       46.37295 ?        ?        47.67567 10.24264 ?              ?        
1 1 1 -8  23 29 o 45.77608 10.45113 114.7000       45.79522 0.000000       0.000000 114.7000       45.79522 ?        ?        45.77608 10.45113 ?              ?        
1 1 1 -8  23 30 o 86.69731 5.366749 377.6436       45.31989 319.9000       67.47604 425.1000       61.17085 77.94959 9.009230 91.25089 6.899716 -13.30129      11.34779 
1 1 1 -8  23 31 o 24.42036 9.383469 23.34944       31.53423 -26.04000      51.12932 53.67000       40.06098 22.45524 10.29100 32.06177 10.79196 -9.606533      14.91211 
1 1 1 -8  23 32 o 63.41341 6.042513 204.8907       37.05350 182.8000       57.16182 220.9000       48.66163 57.65880 10.51558 65.04498 7.798329 -7.386185      13.09165 
1 1 1 -8  23 33 o 36.50668 9.125590 72.95602       32.51777 93.43000       51.60154 59.47000       41.87969 40.37085 12.10380 33.19973 11.03177 7.171124       16.37687 
1 1 1 -8  23 34 o 33.77254 9.320982 62.92118       31.81940 34.82000       49.82147 82.28000       41.35172 29.30860 11.63731 38.12982 10.66454 -8.821220      15.78478 
1 1 1 -8  23 35 o 25.58660 9.336175 31.21317       30.38771 56.89000       47.79396 13.79000       39.37005 32.61636 11.73550 24.01285 10.03249 8.603518       15.43932 
1 1 1 -8  23 36 o 57.77767 6.348384 173.5175       35.31214 174.1000       54.64751 173.1000       46.26945 55.28112 10.48269 56.35920 8.664305 -1.078079      13.59989 
1 1 1 -8  23 37 o 44.43756 7.925123 107.6186       33.20719 96.16000       52.41833 115.3000       42.91776 39.56330 12.26708 44.73655 10.04727 -5.173256      15.85651 
1 1 1 -8  23 38 o 27.88565 9.497205 42.30257       31.03007 3.326000       48.07812 70.13000       40.62395 23.96937 10.55424 34.48687 10.81564 -10.51751      15.11192 
1 1 1 -8  23 39 o 23.36664 10.43406 -1.850000      48.64885 -1.850000      48.64885 0.000000       0.000000 23.36664 10.43406 ?        ?        ?              ?        
1 1 1 -8  23 40 o 42.11002 8.351764 99.24920       33.20860 115.3000       49.80369 86.40000       44.56061 43.13445 11.56148 37.52113 11.24738 5.613319       16.12983 
1 1 1 -8  23 41 o 30.46980 11.15415 52.77000       43.42704 0.000000       0.000000 52.77000       43.42704 ?        ?        30.46980 11.15415 ?              ?        
1 1 1 -8  23 42 o 16.36199 7.631241 -20.56475      29.98813 1.704000       44.45482 -39.16000      40.62300 22.63658 10.04919 17.69631 8.439998 4.940264       13.12326 
1 1 1 -8  23 43 f 22.72732 9.059911 21.46075       30.31286 0.6377000      44.91425 38.88000       41.07965 22.49254 10.03588 27.40430 10.66115 -4.911758      14.64169 
1 1 1 -8  23 44 o 41.78510 8.344135 99.66145       32.93233 180.1000       50.81245 41.40000       43.24428 55.19166 9.762794 27.89159 10.91315 27.30008       14.64271 
1 1 1 -8  23 45 o 32.05194 9.464360 62.08268       31.74005 54.64000       47.29853 68.18000       42.81069 30.13235 11.51364 32.71397 11.15501 -2.581612      16.03117 
1 1 1 -8  23 46 o 35.27063 9.171160 74.78283       31.95384 32.74000       47.47626 109.6000       43.20433 26.58132 11.05430 41.68249 10.57446 -15.10117      15.29761 
1 1 1 -8  23 47 o 24.55261 9.249376 31.65779       30.26415 33.90000       46.18118 29.97000       40.06701 26.62829 10.97202 25.34230 10.30483 1.285992       15.05240 
1 1 1 -8  23 48 o 42.98791 8.163737 106.3544       33.09534 95.37000       50.89879 114.4000       43.56099 37.18383 12.15290 42.53234 10.52193 -5.348511      16.07495 
1 1 1 -8  23 49 o 30.09502 11.64005 56.38000       48.75328 56.38000       48.75328 0.000000       0.000000 30.09502 11.64005 ?        ?        ?              ?        
1 1 1 -8  23 50 o 31.06391 9.631776 59.53653       32.31566 48.82000       47.92743 68.47000       43.75899 28.80108 11.42098 32.32240 11.26687 -3.521315      16.04310 
1 1 1 -8  23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  23 52 o 20.72772 8.679071 14.21665       29.56191 -37.27000      41.31877 68.21000       42.31265 17.55968 8.411941 32.07302 11.08469 -14.51334      13.91514 
1 1 1 -8  23 53 o 31.49246 9.428380 62.38799       31.32766 53.06000       43.96424 72.01000       44.65175 28.83567 11.07968 32.35474 11.37374 -3.519062      15.87832 
1 1 1 -8  23 54 o 22.00336 8.903777 22.57839       29.74521 25.78000       42.04383 19.37000       42.08836 24.07440 10.22894 23.19875 10.05045 0.8756542      14.34025 
1 1 1 -8  24 1  o 123.4475 3.377758 747.8511       40.77639 727.9000       87.67474 753.3578       46.06123 121.1599 7.428518 123.8568 3.803860 -2.696922      8.345792 
1 1 1 -8  24 2  o 141.0912 3.495527 976.3207       48.27463 1056.000       107.3509 956.1236       54.04776 145.9866 7.538062 139.5267 3.961448 6.459885       8.515601 
1 1 1 -8  24 3  o 100.4924 3.235166 495.6584       31.78116 494.6000       75.21946 495.8883       35.06473 99.71229 7.768072 100.4845 3.570721 -0.7722397     8.549444 
1 1 1 -8  24 4  o 116.3588 3.284625 664.4262       37.37286 664.6000       83.52766 664.3827       41.78921 115.7396 7.411915 116.3155 3.675070 -0.5758591     8.273005 
1 1 1 -8  24 5  o 97.63151 3.162633 467.8322       30.18364 625.8000       77.34840 439.4559       32.78273 112.3581 7.068825 94.58570 3.547183 17.77242       7.908906 
1 1 1 -8  24 6  o 97.00251 3.692595 462.3264       34.99670 392.5000       69.96280 485.6291       40.41661 88.65526 8.153506 99.36851 4.164556 -10.71325      9.155500 
1 1 1 -8  24 7  o 131.1176 4.998354 846.5356       64.03217 913.5000       98.48525 797.5000       84.27628 135.7213 7.441872 126.9246 6.808408 8.796661       10.08642 
1 1 1 -8  24 8  o 49.93088 3.758282 123.0340       18.23330 111.9000       54.84299 124.4176       19.33304 46.32011 12.00030 50.18879 3.967639 -3.868675      12.63920 
1 1 1 -8  24 9  f 9.853475 4.686263 -15.77229      12.34512 0.000000       0.000000 -15.77229      12.34512 ?        ?        9.853475 4.686263 ?              ?        
1 1 1 -8  24 10 o 48.44370 4.003096 116.0146       18.81261 0.000000       0.000000 116.0146       18.81261 ?        ?        48.44370 4.003096 ?              ?        
1 1 1 -8  24 11 o 39.03179 4.599756 75.92633       17.23647 59.46000       52.44458 77.92039       18.25031 35.76730 12.34162 39.51404 4.818102 -3.746738      13.24876 
1 1 1 -8  24 12 o 104.3472 3.891350 535.4734       39.67582 556.8000       75.32144 527.2835       46.67645 105.7718 7.320316 103.4425 4.621583 2.329376       8.657139 
1 1 1 -8  24 13 o 58.53709 4.744218 169.7095       26.95051 194.4000       56.32964 162.3799       30.69119 61.64073 9.652594 57.12209 5.559378 4.518635       11.13909 
1 1 1 -8  24 14 o 86.32059 3.146797 366.1007       26.54373 321.9000       64.71243 375.0416       29.10482 79.95261 8.393942 87.34018 3.410990 -7.387566      9.060525 
1 1 1 -8  24 15 o 127.6100 3.306285 799.9448       41.26342 895.2000       96.82179 778.8039       45.61315 134.0248 7.409262 125.8511 3.706810 8.173691       8.284781 
1 1 1 -8  24 16 o 99.83796 4.995348 492.6669       48.66154 572.9000       77.08027 439.5000       62.74612 107.0779 7.399741 93.86142 6.877311 13.21644       10.10216 
1 1 1 -8  24 17 o 114.7302 4.320101 649.0361       48.42854 0.000000       0.000000 649.0361       48.42854 ?        ?        114.7302 4.320101 ?              ?        
1 1 1 -8  24 18 o 61.41444 3.512383 185.9983       21.02634 211.9000       57.42733 181.9884       22.59535 64.18440 9.421015 60.70418 3.822121 3.480225       10.16681 
1 1 1 -8  24 19 o 123.2845 3.810231 748.7545       45.92450 923.6000       96.61686 697.7205       52.19821 135.7949 7.295591 118.8516 4.494982 16.94335       8.569160 
1 1 1 -8  24 20 o 67.92896 5.584996 230.2711       36.80736 266.0000       60.16439 208.9000       46.53104 72.11427 8.698907 64.15791 7.554070 7.956360       11.52107 
1 1 1 -8  24 21 o 126.0067 4.031784 783.6480       49.66356 666.8000       86.74887 840.6173       60.57225 114.9094 7.758098 130.2989 4.757254 -15.38949      9.100525 
1 1 1 -8  24 22 o 88.62326 3.260399 386.9254       28.23474 467.3000       70.26522 371.4485       30.83358 96.10630 7.529411 86.76006 3.638842 9.346245       8.362608 
1 1 1 -8  24 23 o 74.00072 3.374672 270.2016       24.37975 206.9000       60.22644 282.6073       26.66188 62.62881 10.17320 75.63982 3.611524 -13.01101      10.79524 
1 1 1 -8  24 24 o 156.5156 5.305782 1220.219       81.16800 1223.000       121.8494 1218.000       108.8288 154.9417 8.062044 155.2538 7.180806 -0.3120880     10.79632 
1 1 1 -8  24 25 o 115.8844 7.586442 684.1000       85.58045 684.1000       85.58045 0.000000       0.000000 115.8844 7.586442 ?        ?        ?              ?        
1 1 1 -8  24 26 o 76.54766 5.572985 294.2791       41.47065 266.3000       61.43559 317.7000       56.20900 71.35841 8.995113 78.81914 7.371144 -7.460732      11.62952 
1 1 1 -8  24 27 o 84.23923 7.324229 363.2000       59.79272 0.000000       0.000000 363.2000       59.79272 ?        ?        84.23923 7.324229 ?              ?        
1 1 1 -8  24 28 o 65.48096 6.208465 217.8633       39.31754 132.9000       58.96041 285.9000       52.76139 48.41696 12.39079 74.58279 7.321471 -26.16583      14.39221 
1 1 1 -8  24 29 o 95.86797 5.230342 461.1948       48.89468 457.2000       73.93394 464.3000       65.18458 93.84077 8.129178 95.24828 7.041470 -1.407509      10.75481 
1 1 1 -8  24 30 o 97.00191 5.154181 472.2128       48.76233 563.6000       76.76701 410.4000       63.13513 104.5555 7.551927 89.30880 7.285462 15.24673       10.49331 
1 1 1 -8  24 31 o 76.73328 5.459854 297.4896       40.74034 316.0000       62.48241 283.8000       53.73339 77.51614 8.367350 73.90887 7.532655 3.607269       11.25848 
1 1 1 -8  24 32 o 58.73163 6.296206 177.0942       35.63142 192.2000       53.68430 165.2000       47.63687 59.53319 9.534227 55.34618 9.109928 4.187008       13.18682 
1 1 1 -8  24 33 o 56.63437 6.592258 166.2244       35.86206 126.1000       53.75774 198.4000       48.13933 46.53510 11.78999 61.02002 8.272621 -14.48492      14.40278 
1 1 1 -8  24 34 o 39.13379 8.565282 84.08954       31.89668 52.83000       50.02812 105.5000       41.40339 31.98750 11.92461 43.20816 9.989306 -11.22066      15.55579 
1 1 1 -8  24 35 o 38.45140 8.742804 82.19706       32.15856 64.10000       49.08160 95.81000       42.56873 33.68647 11.91738 40.60362 10.59910 -6.917149      15.94882 
1 1 1 -8  24 36 o 14.11495 6.821633 -40.45425      28.60731 -65.56000      46.07994 -24.71000      36.49106 17.49569 8.502953 18.11702 8.439198 -0.6213284     11.97999 
1 1 1 -8  24 37 o 48.61547 7.251383 126.9259       33.45284 112.1000       51.70568 137.6000       43.87245 42.60781 11.92813 49.22879 9.448208 -6.620972      15.21673 
1 1 1 -8  24 38 o 31.38544 11.66119 55.51000       47.76570 55.51000       47.76570 0.000000       0.000000 31.38544 11.66119 ?        ?        ?              ?        
1 1 1 -8  24 39 o 27.21930 9.489431 40.44462       31.04198 88.47000       46.08415 0.5552000      41.99959 37.79226 11.46219 22.14830 9.803421 15.64396       15.08274 
1 1 1 -8  24 40 o 44.92171 10.77620 122.2000       46.77471 0.000000       0.000000 122.2000       46.77471 ?        ?        44.92171 10.77620 ?              ?        
1 1 1 -8  24 41 o 24.22082 9.344272 27.64559       31.36021 21.64000       46.61745 32.61000       42.38424 25.52881 10.80565 26.58978 10.67458 -1.060966      15.18910 
1 1 1 -8  24 42 o 25.45826 9.411218 34.04847       31.04020 36.74000       46.29337 31.85000       41.83880 27.54019 11.12084 26.26207 10.58377 1.278116       15.35217 
1 1 1 -8  24 43 o 24.52801 9.289406 30.43142       30.61994 22.66000       45.94751 36.64000       41.06839 25.30295 10.71968 26.85654 10.59661 -1.553589      15.07315 
1 1 1 -8  24 44 o 43.84348 8.091497 109.4896       33.44588 161.8000       51.58456 71.55000       43.93112 51.03880 10.66954 33.32715 11.30102 17.71165       15.54195 
1 1 1 -8  24 45 o 29.50469 9.600657 52.57567       31.78261 65.66000       47.92045 42.30000       42.46687 31.90168 11.71068 27.61577 10.81185 4.285910       15.93851 
1 1 1 -8  24 46 o 25.96778 9.469898 37.76013       31.25802 57.92000       48.38536 23.32000       40.95017 30.54571 11.65161 24.38441 10.21288 6.161291       15.49397 
1 1 1 -8  24 47 o 14.22979 6.893074 -39.36960      29.63863 -39.65000      45.96191 -39.17000      38.77842 18.59217 8.897282 16.88705 8.105405 1.705122       12.03575 
1 1 1 -8  24 48 o 25.99971 11.03082 29.11000       48.77214 29.11000       48.77214 0.000000       0.000000 25.99971 11.03082 ?        ?        ?              ?        
1 1 1 -8  24 49 o 24.08438 9.291320 29.88387       31.00504 -23.77000      46.27553 73.59000       41.76592 19.87508 9.337157 33.48713 11.01236 -13.61205      14.43795 
1 1 1 -8  24 50 o 45.55643 10.61909 133.0000       46.47435 0.000000       0.000000 133.0000       46.47435 ?        ?        45.55643 10.61909 ?              ?        
1 1 1 -8  24 51 o 27.67640 9.448730 46.32964       30.71725 46.01000       44.13275 46.63000       42.78031 27.92810 10.99547 27.97438 10.88054 -0.4627800E-01 15.46889 
1 1 1 -8  24 52 o 21.61636 9.764808 1.753000       43.99953 1.753000       43.99953 0.000000       0.000000 21.61636 9.764808 ?        ?        ?              ?        
1 1 1 -8  24 53 o 27.67132 9.414574 47.95125       30.49136 31.93000       42.61324 64.76000       43.64796 25.06042 10.45139 30.67804 11.19000 -5.617622      15.31168 
1 1 1 -8  24 54 o 32.85820 9.310778 69.27083       31.30666 91.28000       44.65152 47.99000       43.90649 35.59752 11.36138 27.39808 10.90969 8.199444       15.75127 
1 1 1 -8  25 1  o 145.4674 3.582297 1038.370       51.00744 1015.000       106.8745 1045.263       58.04482 142.9518 7.666013 145.8375 4.070173 -2.885712      8.679520 
1 1 1 -8  25 2  f 110.1738 3.980263 596.7764       42.85306 582.3000       78.89598 602.8345       51.03803 108.2012 7.495652 110.6300 4.724064 -2.428795      8.860112 
1 1 1 -8  25 3  o 99.50467 3.946315 486.9068       38.36006 461.9000       71.50502 497.0119       45.45453 96.27051 7.651061 100.4430 4.635794 -4.172485      8.945910 
1 1 1 -8  25 4  o 153.5277 4.230714 1158.819       63.51736 1142.000       114.2607 1166.341       76.41184 151.6121 7.724862 153.8724 5.080301 -2.260345      9.245699 
1 1 1 -8  25 5  o 190.6001 4.787989 1787.858       89.25622 1730.000       155.8964 1816.072       108.8650 186.3546 8.569467 191.8507 5.803878 -5.496063      10.34992 
1 1 1 -8  25 6  o 56.46870 3.750316 157.2277       20.61171 142.5000       55.41051 159.5928       22.20515 52.30458 11.16306 56.86308 4.015307 -4.558495      11.86324 
1 1 1 -8  25 7  o 27.54543 5.935837 38.85320       15.53190 20.95000       50.85294 40.69514       16.31133 28.99962 11.67490 28.18413 6.090617 0.8154926      13.16810 
1 1 1 -8  25 8  o 138.8971 3.897514 948.3049       52.93678 0.000000       0.000000 948.3049       52.93678 ?        ?        138.8971 3.897514 ?              ?        
1 1 1 -8  25 9  o 172.1505 4.404896 1458.265       74.16400 0.000000       0.000000 1458.265       74.16400 ?        ?        172.1505 4.404896 ?              ?        
1 1 1 -8  25 10 o 85.58862 4.008047 360.7807       33.48475 343.2000       65.31973 367.0475       38.99877 82.64718 8.181651 86.23949 4.637014 -3.592316      9.404325 
1 1 1 -8  25 11 o 88.64400 3.426651 386.3654       29.67610 0.000000       0.000000 386.3654       29.67610 ?        ?        88.64400 3.426651 ?              ?        
1 1 1 -8  25 12 f 18.60802 6.129624 16.37504       12.93782 -71.86000      49.09748 22.95920       13.41185 18.78898 9.044501 21.30090 6.113286 -2.511927      10.91674 
1 1 1 -8  25 13 o 23.25795 8.146540 24.08562       22.89376 81.43000       49.11308 8.166094       25.87717 39.62777 11.79113 20.27558 8.267634 19.35218       14.40085 
1 1 1 -8  25 14 o 124.7994 3.986452 766.9384       48.63485 724.7000       88.03580 785.4916       58.34666 120.3733 7.509163 126.1444 4.733833 -5.771149      8.876751 
1 1 1 -8  25 15 o 17.04566 6.023525 12.58334       12.53602 54.92000       48.08048 9.495367       12.98515 34.07294 11.81404 16.10780 6.060642 17.96515       13.27791 
1 1 1 -8  25 16 o 69.75519 3.709099 240.0259       25.23406 211.0000       58.97152 246.5318       27.91919 63.89173 9.736888 70.64330 4.054654 -6.751568      10.54738 
1 1 1 -8  25 17 o 87.88028 3.645627 380.6411       31.29146 380.5000       67.20351 380.6801       35.35824 86.71909 8.007581 87.79858 4.125849 -1.079483      9.007996 
1 1 1 -8  25 18 o 89.80936 3.184237 396.9721       27.94766 412.8000       68.37717 393.7976       30.62232 90.34504 7.808734 89.39587 3.506369 0.9491730      8.559846 
1 1 1 -8  25 19 o 80.07442 3.238698 315.8563       25.33223 377.7000       64.86732 304.7273       27.51729 86.32217 7.759831 78.59071 3.586531 7.731453       8.548578 
1 1 1 -8  25 20 o 180.4985 3.995829 1607.245       70.59706 1705.000       152.0027 1580.359       79.71651 183.1874 8.500321 178.7117 4.560832 4.475632       9.646587 
1 1 1 -8  25 21 o 48.23854 4.266532 115.8735       19.93789 169.5000       55.07901 107.7869       21.38838 56.49228 10.34171 46.40832 4.776560 10.08396       11.39151 
1 1 1 -8  25 22 o 32.00456 6.033438 52.78217       18.20789 2.523000       49.81540 60.53190       19.56137 25.59768 11.01096 34.32747 6.042293 -8.729790      12.55988 
1 1 1 -8  25 23 o 114.3188 3.706515 645.8928       41.42049 618.8000       81.25616 655.4043       48.14537 110.2029 7.578960 114.9705 4.285708 -4.767639      8.706775 
1 1 1 -8  25 24 o 91.71988 5.197382 420.4824       46.47009 416.2000       68.16908 424.2000       63.51474 90.08881 7.807553 91.28090 7.166088 -1.192085      10.59767 
1 1 1 -8  25 25 o 117.3960 5.105494 688.3058       58.52716 643.2000       84.39356 730.1000       81.23650 112.0268 7.743943 119.9013 6.951644 -7.874496      10.40644 
1 1 1 -8  25 26 o 45.97891 10.51393 116.0000       46.28633 0.000000       0.000000 116.0000       46.28633 ?        ?        45.97891 10.51393 ?              ?        
1 1 1 -8  25 27 o 33.39811 9.696284 60.28242       33.55974 0.4090000      52.29680 102.2000       43.75787 25.54678 11.13399 43.03722 10.48534 -17.49043      15.29405 
1 1 1 -8  25 28 o 39.41730 9.198768 84.35635       34.84068 -1.026000      52.71100 150.6000       46.42900 25.41171 11.12434 52.95517 9.296200 -27.54346      14.49725 
1 1 1 -8  25 29 o 110.3782 5.091396 611.3114       54.85988 702.2000       84.84003 546.0000       71.91851 116.7003 7.466320 103.0586 7.174145 13.64170       10.35443 
1 1 1 -8  25 30 o 44.92832 7.859210 107.0953       33.30446 54.81000       50.33826 147.8000       44.41511 32.89873 12.01439 52.39862 8.982867 -19.49989      15.00125 
1 1 1 -8  25 31 o 39.60778 8.449963 84.95453       31.76056 121.1000       48.49186 57.80000       42.03036 46.24778 10.89285 32.73874 11.05410 13.50904       15.51925 
1 1 1 -8  25 32 o 56.04276 6.341949 162.4111       34.17887 184.0000       52.19113 146.2000       45.22608 57.88166 9.544272 51.62012 9.292521 6.261536       13.32081 
1 1 1 -8  25 33 o 27.72917 9.354984 40.65796       30.10248 -7.859000      46.35043 76.05000       39.58766 22.66688 10.14855 36.39651 10.52060 -13.72964      14.61767 
1 1 1 -8  25 34 o 45.09546 7.741763 109.8936       32.94225 98.59000       49.62328 118.8000       44.04818 40.45008 11.80424 45.49451 10.14964 -5.044422      15.56776 
1 1 1 -8  25 35 o 20.05427 8.598969 4.660457       30.19981 23.36000       47.91124 -7.667000      38.90081 26.54601 11.07735 20.63128 9.262527 5.914724       14.43960 
1 1 1 -8  25 36 o 31.65029 9.282585 57.22960       30.61982 61.38000       47.99105 54.38000       39.76549 32.61463 11.75648 30.95488 10.74342 1.659752       15.92595 
1 1 1 -8  25 37 o 31.96208 11.75677 58.82000       48.33811 58.82000       48.33811 0.000000       0.000000 31.96208 11.75677 ?        ?        ?              ?        
1 1 1 -8  25 38 o 26.62654 9.555084 37.84148       31.66030 93.75000       48.10855 -4.871000      42.04949 38.66538 11.70794 21.48590 9.639433 17.17948       15.16557 
1 1 1 -8  25 39 o 15.92407 7.775906 -61.06000      39.83027 0.000000       0.000000 -61.06000      39.83027 ?        ?        15.92407 7.775906 ?              ?        
1 1 1 -8  25 40 o 37.02992 9.031169 79.85007       32.43654 69.19000       47.84057 88.92000       44.12837 33.37107 11.76935 37.67162 11.16873 -4.300541      16.22523 
1 1 1 -8  25 41 o 27.51247 9.486449 43.02866       30.98386 43.59000       45.93289 42.56000       41.97032 28.56511 11.22622 28.07904 10.81602 0.4860725      15.58891 
1 1 1 -8  25 42 o 40.90244 8.376570 95.87006       32.40742 91.53000       48.65839 99.33000       43.44538 37.32364 11.85429 39.70936 10.86462 -2.385727      16.07993 
1 1 1 -8  25 43 o 25.65676 9.440486 36.13139       31.17167 61.62000       47.26413 16.51000       41.46899 31.29050 11.60471 23.54645 10.08598 7.744049       15.37518 
1 1 1 -8  25 44 o 32.57972 9.642093 65.15689       32.91268 53.25000       49.60631 74.52000       43.98938 29.77279 11.67678 33.74746 11.30825 -3.974678      16.25496 
1 1 1 -8  25 45 f 17.35842 7.946917 -11.00608      30.38386 -26.25000      45.56443 1.200000       40.77235 19.61925 9.232015 21.35274 9.542247 -1.733494      13.27722 
1 1 1 -8  25 46 o 25.08417 9.427768 34.26296       31.40291 -19.15000      47.55633 75.56000       41.81619 20.56825 9.598669 33.97117 11.00918 -13.40293      14.60604 
1 1 1 -8  25 47 o 29.91411 11.66086 55.80000       49.22300 55.80000       49.22300 0.000000       0.000000 29.91411 11.66086 ?        ?        ?              ?        
1 1 1 -8  25 48 o 46.29085 7.746419 121.8490       33.86045 118.7000       51.18212 124.3000       45.15418 41.57310 11.94579 44.13501 10.58814 -2.561913      15.96279 
1 1 1 -8  25 49 o 43.35986 10.93456 123.0000       46.39270 0.000000       0.000000 123.0000       46.39270 ?        ?        43.35986 10.93456 ?              ?        
1 1 1 -8  25 50 o 22.15112 8.959061 21.44401       30.09865 38.56000       43.79642 6.125000       41.43363 26.66381 10.79881 21.81513 9.692144 4.848679       14.51041 
1 1 1 -8  25 51 o 41.81875 8.163665 102.6879       32.21696 76.87000       45.30466 129.1000       45.82308 33.28317 11.47137 44.42979 10.67102 -11.14661      15.66726 
1 1 1 -8  25 52 f 18.52247 8.192966 2.408725       29.28570 3.327000       42.16629 1.553000       40.70485 21.28233 9.591536 20.81915 9.399567 0.4631767      13.42942 
1 1 1 -8  25 53 o 31.65243 11.33715 71.21000       44.54827 71.21000       44.54827 0.000000       0.000000 31.65243 11.33715 ?        ?        ?              ?        
1 1 1 -8  26 1  o 110.7819 3.307125 602.8597       35.82112 547.2000       77.50908 617.9767       40.39370 104.6974 7.615347 112.1138 3.685860 -7.416397      8.460442 
1 1 1 -8  26 2  o 200.9292 4.287965 1985.287       84.33359 2038.000       174.3568 1969.189       96.35450 201.8479 8.846358 199.9625 4.922858 1.885468       10.12386 
1 1 1 -8  26 3  o 93.65520 5.088010 433.4328       46.46779 494.0000       70.93289 387.9000       61.50223 99.51127 7.333836 88.15211 7.190140 11.35916       10.27050 
1 1 1 -8  26 4  o 119.8995 3.839541 707.0469       45.00312 708.3000       84.78384 706.5553       53.10114 119.2466 7.298714 119.7412 4.538800 -0.4945908     8.594878 
1 1 1 -8  26 5  o 169.6222 3.840967 1413.760       63.77192 1522.000       137.4678 1384.078       71.98665 174.6384 8.063600 167.6734 4.389906 6.964920       9.181117 
1 1 1 -8  26 6  o 160.6115 4.393145 1270.201       69.00018 1342.000       127.1231 1240.213       82.15544 163.9770 7.943823 158.4827 5.303473 5.494232       9.551499 
1 1 1 -8  26 7  o 82.35322 3.570118 333.7502       28.71021 0.000000       0.000000 333.7502       28.71021 ?        ?        82.35322 3.570118 ?              ?        
1 1 1 -8  26 8  o 88.88628 3.526513 388.6944       30.62130 0.000000       0.000000 388.6944       30.62130 ?        ?        88.88628 3.526513 ?              ?        
1 1 1 -8  26 9  o 105.8443 3.234526 550.5529       33.47145 554.5000       77.18701 549.6387       37.14569 105.2755 7.540435 105.7053 3.595326 -0.4297638     8.353713 
1 1 1 -8  26 10 o 60.00301 3.446945 177.4549       20.15962 132.5000       55.35492 184.3292       21.64616 50.03646 11.53800 61.13440 3.633731 -11.09793      12.09667 
1 1 1 -8  26 11 o 38.23855 4.207496 72.84302       15.48828 36.27000       51.04386 76.55177       16.25463 31.20534 11.95158 39.19505 4.307737 -7.989710      12.70420 
1 1 1 -8  26 12 o 57.83055 3.461635 164.9602       19.50529 84.04000       54.22193 176.9883       20.90474 40.22665 12.47693 59.89304 3.582212 -19.66638      12.98099 
1 1 1 -8  26 13 o 70.53907 5.127465 247.2034       35.16116 0.000000       0.000000 247.2034       35.16116 ?        ?        70.53907 5.127465 ?              ?        
1 1 1 -8  26 14 o 87.92805 5.074598 383.5497       43.48970 374.4000       65.40790 390.8000       58.22441 86.06845 7.850219 88.29433 6.789083 -2.225883      10.37871 
1 1 1 -8  26 15 o 19.64815 6.225372 18.93146       13.42652 -36.79000      46.69219 23.95424       14.01861 20.73619 9.620674 21.69854 6.257073 -0.9623489     11.47643 
1 1 1 -8  26 16 o 111.8716 3.229138 615.9390       35.32303 571.0000       77.22264 627.8295       39.72219 106.4269 7.460126 112.8712 3.599975 -6.444275      8.283315 
1 1 1 -8  26 17 o 61.98943 3.812387 190.1012       23.02050 219.4000       57.06733 184.4070       25.15827 65.05558 9.219827 60.97234 4.241880 4.083244       10.14883 
1 1 1 -8  26 18 o 83.57001 5.269016 348.0134       42.88149 324.2000       64.01193 367.4000       57.75653 79.58538 8.340917 85.31390 6.977209 -5.728523      10.87439 
1 1 1 -8  26 19 o 38.06301 4.792678 72.89645       17.46115 10.46000       51.15511 81.13034       18.57686 26.97430 11.36329 40.17986 4.819498 -13.20556      12.34309 
1 1 1 -8  26 20 o 22.31510 6.908838 25.07994       16.63391 43.83000       50.28453 22.77609       17.62623 31.77584 11.93273 21.66849 7.155313 10.10735       13.91361 
1 1 1 -8  26 21 o 39.62877 5.466896 79.72652       20.64159 58.34000       50.50462 84.01538       22.61682 34.27388 12.09218 40.59486 5.861401 -6.320984      13.43789 
1 1 1 -8  26 22 o 90.50618 3.679173 405.2240       32.52583 386.4000       67.43773 410.9303       37.12989 86.65207 8.042721 91.00182 4.179541 -4.349747      9.063880 
1 1 1 -8  26 23 o 78.43524 3.289631 303.9532       25.19994 242.7000       61.34649 316.3872       27.63956 67.72400 9.516411 79.96729 3.539893 -12.24329      10.15347 
1 1 1 -8  26 24 o 94.99361 7.088233 460.8000       65.43295 0.000000       0.000000 460.8000       65.43295 ?        ?        94.99361 7.088233 ?              ?        
1 1 1 -8  26 25 o 92.75956 7.131876 440.5000       64.25755 0.000000       0.000000 440.5000       64.25755 ?        ?        92.75956 7.131876 ?              ?        
1 1 1 -8  26 26 o 94.06665 5.284462 444.5511       48.46107 423.4000       72.07803 462.0000       65.46662 90.14028 8.260929 94.93132 7.096732 -4.791039      10.89066 
1 1 1 -8  26 27 o 71.10738 5.872005 256.4981       40.50626 285.4000       62.44286 235.5000       53.22419 73.45787 8.863310 66.96114 8.297873 6.496727       12.14137 
1 1 1 -8  26 28 o 30.90794 9.680974 51.29468       32.55776 70.21000       51.32718 38.56000       42.11477 35.82179 12.21429 29.04546 10.91766 6.776337       16.38243 
1 1 1 -8  26 29 o 84.42010 5.355164 359.9943       44.02310 325.7000       64.79392 389.4000       59.99839 78.40658 8.582648 86.79780 7.124605 -8.391220      11.15445 
1 1 1 -8  26 30 o 22.68414 9.105379 16.64203       30.83441 -14.19000      47.71481 38.75000       40.40420 22.50180 10.16638 28.63605 10.70819 -6.134251      14.76552 
1 1 1 -8  26 31 o 69.16546 5.567036 244.0434       37.37130 221.9000       55.50974 262.4000       50.54102 63.81444 9.148063 70.65872 7.418034 -6.844280      11.77770 
1 1 1 -8  26 32 o 22.45870 8.893626 18.54390       29.02509 10.40000       45.12716 24.29000       37.90606 24.55311 10.51940 25.28469 10.11391 -0.7315807     14.59277 
1 1 1 -8  26 33 o 33.64463 9.113151 64.07445       30.74761 127.8000       49.22384 23.30000       39.37429 46.52881 10.98529 25.21001 10.22850 21.31880       15.00996 
1 1 1 -8  26 34 o 25.46690 9.377687 32.15707       30.76793 -39.14000      48.37297 80.60000       39.87329 19.90495 9.410716 36.91888 10.52320 -17.01394      14.11734 
1 1 1 -8  26 35 f 43.45315 8.107651 104.3665       33.21630 94.28000       49.71504 112.5000       44.64309 38.94860 11.92364 43.49888 10.58660 -4.550282      15.94520 
1 1 1 -8  26 36 o 25.39779 10.77950 18.64000       46.60494 18.64000       46.60494 0.000000       0.000000 25.39779 10.77950 ?        ?        ?              ?        
1 1 1 -8  26 37 o 30.18855 9.419059 52.57462       30.85100 67.05000       47.44446 41.97000       40.60859 33.27323 11.72176 28.22875 10.69624 5.044474       15.86850 
1 1 1 -8  26 38 o 29.46605 10.89106 48.69000       41.56641 0.000000       0.000000 48.69000       41.56641 ?        ?        29.46605 10.89106 ?              ?        
1 1 1 -8  26 39 o 50.39736 7.249881 138.5344       34.73611 184.3000       52.54144 103.0000       46.29742 55.90559 9.967109 40.43017 11.27562 15.47542       15.04935 
1 1 1 -8  26 40 o 17.38541 7.929776 -10.92610      29.88824 -41.85000      45.27491 12.96000       39.79084 18.54236 8.861798 22.99402 9.865155 -4.451654      13.26095 
1 1 1 -8  26 41 o 44.73218 7.992518 112.9555       33.71091 126.3000       50.33310 102.1000       45.39696 44.25957 11.51132 39.94280 11.17486 4.316772       16.04332 
1 1 1 -8  26 42 o 22.31012 9.030910 20.42944       30.61224 -12.34000      46.27461 45.93000       40.82095 21.07527 9.706747 28.21080 10.71612 -7.135529      14.45878 
1 1 1 -8  26 43 o 46.25388 7.868626 121.4368       34.35034 195.4000       52.45632 65.91000       45.45078 56.94723 9.761765 31.90542 11.44859 25.04181       15.04534 
1 1 1 -8  26 44 o 14.34000 6.948436 -40.27360      30.17161 -24.40000      45.58381 -52.65000      40.25038 19.75704 9.277099 16.30794 7.930547 3.449106       12.20484 
1 1 1 -8  26 45 o 33.32146 9.533566 68.55134       32.66619 99.52000       49.71339 45.02000       43.33467 37.97937 11.97202 27.91916 10.92437 10.06021       16.20713 
1 1 1 -8  26 46 o 34.58665 12.09004 83.02000       50.40698 83.02000       50.40698 0.000000       0.000000 34.58665 12.09004 ?        ?        ?              ?        
1 1 1 -8  26 47 f 24.29259 9.385103 30.80385       31.66708 -12.10000      48.22827 63.32000       41.98586 21.24530 9.829241 31.22857 11.02464 -9.983265      14.77013 
1 1 1 -8  26 48 o 22.46998 9.813715 12.09000       40.81398 0.000000       0.000000 12.09000       40.81398 ?        ?        22.46998 9.813715 ?              ?        
1 1 1 -8  26 49 o 22.37428 9.015292 22.53069       30.35083 28.18000       43.86042 17.34000       42.04239 25.06262 10.53784 23.31882 10.07366 1.743797       14.57823 
1 1 1 -8  26 50 o 34.96775 8.995190 75.23511       30.96304 52.99000       43.43922 98.21000       44.14602 28.81121 11.02771 37.94087 11.15083 -9.129658      15.68283 
1 1 1 -8  26 51 o 21.85034 8.848323 21.90586       29.40022 20.99000       41.82985 22.80000       41.33103 23.41950 10.08213 23.60713 10.08955 -0.1876354     14.26353 
1 1 1 -8  26 52 o 25.18295 9.249317 38.15742       29.89989 23.15000       42.10090 53.43000       42.47120 23.55828 10.12797 28.35411 10.89113 -4.795830      14.87254 
1 1 1 -8  27 1  o 109.7722 3.273456 592.3018       35.13335 632.2000       79.02469 582.4728       39.22290 112.4939 7.214778 108.7932 3.688589 3.700729       8.103006 
1 1 1 -8  27 2  o 86.06400 3.787283 364.8927       31.82663 455.9000       67.44373 338.8203       36.09883 95.43604 7.274577 82.81793 4.469663 12.61810       8.537994 
1 1 1 -8  27 3  o 126.7026 3.952459 790.4714       48.95844 725.5000       88.19003 819.4149       58.86180 120.4180 7.519602 128.8490 4.674840 -8.431007      8.854295 
1 1 1 -8  27 4  o 42.51799 4.337321 89.93668       17.79843 76.83000       50.00839 91.83772       19.04552 38.63379 11.98225 42.92587 4.604697 -4.292080      12.83657 
1 1 1 -8  27 5  o 19.88290 6.732102 18.30568       15.58934 0.000000       0.000000 18.30568       15.58934 ?        ?        19.88290 6.732102 ?              ?        
1 1 1 -8  27 6  o 119.5385 3.727592 703.4263       43.56237 0.000000       0.000000 703.4263       43.56237 ?        ?        119.5385 3.727592 ?              ?        
1 1 1 -8  27 7  o 70.10165 3.376592 242.0520       23.10117 271.5000       60.72638 237.0694       24.97920 73.03049 8.663663 69.33097 3.694160 3.699524       9.418380 
1 1 1 -8  27 8  o 71.42332 3.312964 251.2158       23.09821 348.7000       62.40274 235.7391       24.86424 83.14690 7.756964 69.13139 3.687805 14.01552       8.588970 
1 1 1 -8  27 9  o 65.46251 3.365511 211.2033       21.49263 345.4000       59.57198 191.1216       23.04471 82.81348 7.427926 62.20187 3.803142 20.61161       8.344936 
1 1 1 -8  27 10 o 90.30330 3.190122 401.2451       28.15363 397.5000       67.17835 402.0429       31.00806 88.70992 7.816480 90.34191 3.513240 -1.631996      8.569727 
1 1 1 -8  27 11 o 106.8691 3.259066 561.9924       34.05208 471.3000       74.64304 585.8276       38.26602 96.53825 7.970157 109.0516 3.589775 -12.51337      8.741275 
1 1 1 -8  27 12 o 91.54559 3.206755 412.5286       28.69051 418.7000       68.70905 411.2253       31.57498 90.97030 7.791231 91.34370 3.538183 -0.3734055     8.556987 
1 1 1 -8  27 13 o 93.60649 3.183286 431.3565       29.12430 373.4000       67.03077 444.8439       32.33605 85.70123 8.086221 95.00588 3.483101 -9.304649      8.804484 
1 1 1 -8  27 14 f 38.90541 6.924456 77.94251       25.40283 105.2000       50.77729 68.84314       29.33812 44.11554 11.60528 36.18497 8.438917 7.930561       14.34914 
1 1 1 -8  27 15 o 104.2081 4.746864 538.7257       48.29173 0.000000       0.000000 538.7257       48.29173 ?        ?        104.2081 4.746864 ?              ?        
1 1 1 -8  27 16 o 44.53424 4.251820 98.88799       18.30953 122.7000       50.03863 95.20699       19.67389 47.66988 10.95416 43.60360 4.682879 4.066284       11.91315 
1 1 1 -8  27 17 o 10.21202 4.828630 -14.62302      12.74213 59.71000       46.02870 -20.79231      13.26036 34.28304 11.56795 9.640985 4.655717 24.64205       12.46969 
1 1 1 -8  27 18 o 14.42385 6.108211 1.023367       14.90832 -15.51000      48.32518 2.762394       15.67278 23.07271 10.34391 15.18489 6.335993 7.887829       12.13018 
1 1 1 -8  27 19 o 83.46100 4.183008 345.7089       34.06371 267.3000       61.72242 380.0501       40.84769 71.52733 9.015735 87.33068 4.796956 -15.80335      10.21246 
1 1 1 -8  27 20 o 41.36739 4.942035 86.30876       19.61566 178.2000       52.24332 71.22836       21.16412 57.92053 9.547285 37.25095 6.008800 20.66958       11.28079 
1 1 1 -8  27 21 o 57.62037 4.275539 165.5220       23.94239 175.1000       55.28083 163.3105       26.56300 56.96203 10.29353 57.09735 4.797177 -0.1353226     11.35648 
1 1 1 -8  27 22 o 66.54002 3.582452 219.4516       23.24692 189.0000       57.82948 225.3209       25.38861 59.06858 10.38067 67.35714 3.867035 -8.288555      11.07755 
1 1 1 -8  27 23 o 112.6785 3.630432 628.6261       39.98879 0.000000       0.000000 628.6261       39.98879 ?        ?        112.6785 3.630432 ?              ?        
1 1 1 -8  27 24 o 47.64383 8.163551 120.0921       36.70180 110.6000       58.95095 126.1000       46.89998 43.83900 12.88603 47.88014 10.31215 -4.041142      16.50425 
1 1 1 -8  27 25 o 53.26905 7.232649 147.4810       36.73866 98.50000       55.33180 186.1000       49.13166 41.51240 12.55321 59.20794 8.740091 -17.69554      15.29615 
1 1 1 -8  27 26 o 34.81350 9.565055 66.52680       33.59296 71.19000       52.62592 63.32000       43.64090 36.08593 12.36623 34.13932 11.25826 1.946609       16.72340 
1 1 1 -8  27 27 o 116.5385 5.130531 683.1069       58.38108 690.6000       85.99137 676.7000       79.51505 115.2928 7.663350 114.5708 7.125644 0.7219696      10.46431 
1 1 1 -8  27 28 o 62.61192 6.167314 201.1281       37.30701 181.7000       55.63690 217.0000       50.28784 57.23065 10.31100 63.96497 8.221742 -6.734314      13.18763 
1 1 1 -8  27 29 o 36.23081 8.950627 72.64335       31.55436 55.03000       48.19316 85.86000       41.74699 32.32795 11.76327 38.72837 10.67170 -6.400421      15.88268 
1 1 1 -8  27 30 f 49.70450 7.036510 130.3653       33.27807 100.4000       50.92354 152.7000       43.96428 41.03560 11.95300 52.85308 8.807943 -11.81748      14.84770 
1 1 1 -8  27 31 o 81.48086 5.272472 338.3922       41.82521 260.2000       59.37680 415.4000       58.92535 68.82411 9.031672 89.16591 6.802807 -20.34180      11.30705 
1 1 1 -8  27 32 o 37.27983 8.776811 78.32560       31.49272 73.06000       48.01869 82.30000       41.71788 34.97715 11.81535 37.21126 10.81296 -2.234116      16.01632 
1 1 1 -8  27 33 o 21.11268 8.714910 12.53122       29.20471 28.33000       46.65505 2.352000       37.44933 26.96097 11.05995 21.48835 9.392414 5.472624       14.50999 
1 1 1 -8  27 34 o 23.79909 10.51203 3.477000       48.04685 3.477000       48.04685 0.000000       0.000000 23.79909 10.51203 ?        ?        ?              ?        
1 1 1 -8  27 35 o 28.93585 9.669686 47.44446       32.16766 31.65000       48.07325 60.25000       43.28627 27.38383 11.22936 31.96902 11.20154 -4.585190      15.86106 
1 1 1 -8  27 36 o 14.70305 7.035172 -33.00595      28.71496 -22.55000      41.96726 -42.21000      39.37477 19.55857 9.090247 17.15903 8.217785 2.399532       12.25417 
1 1 1 -8  27 37 o 76.55202 7.634735 319.5000       56.44593 0.000000       0.000000 319.5000       56.44593 ?        ?        76.55202 7.634735 ?              ?        
1 1 1 -8  27 38 o 33.47755 9.374454 66.35756       31.93210 97.16000       48.19218 42.25000       42.63445 38.85926 11.70764 28.14534 10.88535 10.71392       15.98624 
1 1 1 -8  27 39 o 28.98015 9.551498 49.25185       31.41342 7.382000       47.70774 81.30000       41.73877 23.67625 10.46555 35.92887 10.91078 -12.25262      15.11862 
1 1 1 -8  27 40 o 29.05507 9.631698 50.09679       31.92883 52.01000       50.11967 48.79000       41.42185 29.90037 11.73399 28.94410 10.83836 0.9562664      15.97362 
1 1 1 -8  27 41 o 16.99230 7.822370 -13.17753      29.99976 1.213000       45.92359 -23.89000      39.62252 22.36053 10.04936 18.45964 8.661976 3.900898       13.26723 
1 1 1 -8  27 42 o 38.55389 8.929990 88.63248       33.03675 69.12000       49.16161 104.7000       44.61121 32.32935 11.86241 40.09327 11.02539 -7.763916      16.19494 
1 1 1 -8  27 43 o 31.51845 9.603902 61.08095       32.30193 45.81000       48.35188 73.39000       43.41028 28.43419 11.40604 33.43851 11.23389 -5.004322      16.00931 
1 1 1 -8  27 44 o 21.43760 8.941878 15.97774       31.19986 33.29000       47.72328 3.055000       41.23166 26.39400 11.03781 21.52193 9.608362 4.872068       14.63399 
1 1 1 -8  27 45 o 34.84514 12.11338 84.84000       50.56356 84.84000       50.56356 0.000000       0.000000 34.84514 12.11338 ?        ?        ?              ?        
1 1 1 -8  27 46 o 17.77949 8.086247 -7.616562      30.79799 48.86000       47.05232 -49.95000      40.73697 28.58521 11.32233 16.52005 8.020940 12.06515       13.87554 
1 1 1 -8  27 47 o 27.18257 9.590611 44.42835       31.77000 -7.562000      47.94378 85.13000       42.42061 21.51406 9.898462 35.65339 11.03216 -14.13933      14.82188 
1 1 1 -8  27 48 o 42.27765 8.232715 104.6978       32.84336 116.1000       48.70633 95.19000       44.47640 41.11342 11.60091 37.44063 11.23985 3.672787       16.15287 
1 1 1 -8  27 49 o 30.13503 9.388647 57.01648       30.66408 55.07000       43.78566 58.89000       42.95732 29.14610 11.09206 29.85747 11.06520 -0.7113705     15.66755 
1 1 1 -8  27 50 o 20.25869 8.569526 13.35059       29.28904 4.877000       41.30500 21.92000       41.53789 21.29429 9.553576 23.49839 10.08043 -2.204098      13.88834 
1 1 1 -8  27 51 o 15.60973 7.335047 -18.22585      28.58712 -68.84000      40.10762 34.04000       40.75679 14.90667 7.379654 24.96718 10.29954 -10.06052      12.67043 
1 1 1 -8  28 1  o 20.21978 7.281732 17.33970       18.40577 47.99000       47.32627 11.87759       19.97859 32.52039 11.68081 19.16136 7.440323 13.35902       13.84918 
1 1 1 -8  28 2  o 164.8876 4.422967 1342.339       71.32069 1397.000       129.5990 1318.593       85.41861 166.5965 7.970604 163.0890 5.358109 3.507492       9.604159 
1 1 1 -8  28 3  o 61.22154 4.092702 185.5265       24.38479 259.6000       56.40253 168.4983       27.04274 71.39925 8.220313 58.20650 4.788812 13.19275       9.513478 
1 1 1 -8  28 4  o 96.91170 3.586176 462.7777       33.95974 0.000000       0.000000 462.7777       33.95974 ?        ?        96.91170 3.586176 ?              ?        
1 1 1 -8  28 5  o 43.55095 4.442399 94.55988       18.67254 0.000000       0.000000 94.55988       18.67254 ?        ?        43.55095 4.442399 ?              ?        
1 1 1 -8  28 6  o 80.50591 3.231369 319.1617       25.41191 483.8000       67.51659 291.9894       27.42888 98.11121 7.078070 76.92986 3.652998 21.18135       7.965141 
1 1 1 -8  28 7  o 96.44035 3.229214 457.8388       30.44030 516.3000       72.31417 445.2489       33.55834 101.2369 7.347578 95.03399 3.614161 6.202934       8.188349 
1 1 1 -8  28 8  o 62.89006 4.589843 196.4744       28.05987 230.8000       55.56067 184.7219       32.51052 67.01308 8.673616 60.76555 5.526273 6.247536       10.28452 
1 1 1 -8  28 9  o 81.52250 4.048449 328.6165       32.20412 376.6000       63.34320 311.8906       37.39808 86.22961 7.581892 79.23945 4.844874 6.990158       8.997660 
1 1 1 -8  28 10 o 102.2789 3.225744 515.1415       32.25364 539.6000       73.87058 509.3804       35.85154 103.3758 7.348300 101.6260 3.609834 1.749840       8.187089 
1 1 1 -8  28 11 o 114.6489 3.289308 647.4223       36.87496 548.2000       78.80647 675.2366       41.72452 103.9488 7.802196 117.0028 3.647706 -13.05396      8.612782 
1 1 1 -8  28 12 o 85.31130 3.229133 358.6935       26.91622 375.9000       65.15844 355.1531       29.55583 85.91474 7.834223 84.82351 3.567727 1.091232       8.608352 
1 1 1 -8  28 13 o 53.75977 3.662408 143.1617       19.15707 134.0000       53.31751 144.5197       20.52789 49.71413 11.22355 53.96999 3.912411 -4.255859      11.88592 
1 1 1 -8  28 14 o 79.45388 3.270383 311.4443       25.37994 243.4000       60.62371 325.9044       27.94689 68.25361 9.317242 81.22905 3.523303 -12.97544      9.961157 
1 1 1 -8  28 15 o 48.24101 5.740253 117.7878       26.57431 121.7000       51.08776 116.3366       31.11516 47.16496 11.22839 47.60513 6.876522 -0.4401703     13.16675 
1 1 1 -8  28 16 o 35.49899 4.723059 63.63466       16.00456 51.41000       50.49470 64.99992       16.87461 32.97663 12.03457 35.83305 4.942596 -2.856422      13.01000 
1 1 1 -8  28 17 o 54.84299 4.390078 150.0684       23.37009 0.000000       0.000000 150.0684       23.37009 ?        ?        54.84299 4.390078 ?              ?        
1 1 1 -8  28 18 o 44.91501 5.101282 101.7917       22.03049 127.6000       53.53426 96.53000       24.17213 47.94744 11.54554 43.52770 5.819037 4.419743       12.92906 
1 1 1 -8  28 19 o 35.85636 5.614655 65.83139       19.05967 86.29000       50.85459 62.48803       20.55814 39.48734 12.05392 34.73351 6.277851 4.753826       13.59075 
1 1 1 -8  28 20 o 69.97897 3.503969 242.5820       23.92490 196.4000       58.81605 251.7386       26.18955 60.20061 10.35463 71.22393 3.770037 -11.02332      11.01960 
1 1 1 -8  28 21 o 77.87173 3.373311 300.1022       25.65140 306.5000       62.17369 298.7898       28.15978 76.54784 8.437698 77.60902 3.717712 -1.061180      9.220420 
1 1 1 -8  28 22 o 69.42434 5.223322 242.6870       35.23450 0.000000       0.000000 242.6870       35.23450 ?        ?        69.42434 5.223322 ?              ?        
1 1 1 -8  28 23 o 31.82329 9.784216 54.51770       33.43010 -5.264000      51.83895 97.08000       43.74060 24.67544 10.90814 41.70972 10.67137 -17.03428      15.25994 
1 1 1 -8  28 24 o 83.17751 5.463596 349.4447       44.23637 284.0000       64.05951 409.1000       61.16048 72.91558 9.178369 89.12089 7.068951 -16.20531      11.58501 
1 1 1 -8  28 25 o 61.90763 6.370563 196.8572       38.05322 169.0000       57.18206 219.0000       50.98095 54.84405 11.03441 64.33057 8.288676 -9.486519      13.80074 
1 1 1 -8  28 26 o 70.77655 5.821632 255.2682       39.97490 253.6000       59.99779 256.6000       53.60664 68.62398 9.160704 69.77664 7.992874 -1.152664      12.15749 
1 1 1 -8  28 27 o 76.13844 5.608893 295.2025       41.50764 210.8000       58.91285 378.4000       58.49078 61.62765 10.11701 85.31223 7.067754 -23.68458      12.34127 
1 1 1 -8  28 28 o 64.54041 5.896294 214.0341       36.83820 176.4000       54.35751 246.0000       50.09706 55.92643 10.30944 68.17672 7.638222 -12.25029      12.83071 
1 1 1 -8  28 29 o 26.23933 9.266974 35.16335       29.66772 41.65000       46.19588 30.61000       38.70422 29.41523 11.34304 26.49742 10.33694 2.917812       15.34655 
1 1 1 -8  28 30 o 20.16060 8.543885 6.747141       29.20420 16.06000       45.26699 0.1072000      38.22278 25.13178 10.64326 21.47386 9.434537 3.657919       14.22285 
1 1 1 -8  28 31 o 48.85565 7.205297 128.1450       33.42354 135.1000       51.25690 123.0000       44.08559 47.39442 11.22330 46.01075 10.06913 1.383675       15.07813 
1 1 1 -8  28 32 o 30.02335 9.405788 51.32072       30.73157 83.70000       47.81423 28.53000       40.11462 36.86182 11.75599 25.95617 10.39695 10.90565       15.69394 
1 1 1 -8  28 33 o 62.99505 9.353506 225.6000       55.92655 225.6000       55.92655 0.000000       0.000000 62.99505 9.353506 ?        ?        ?              ?        
1 1 1 -8  28 34 o 31.02701 9.426234 55.94908       31.14881 106.8000       46.41741 14.29000       42.01325 41.58400 11.16841 23.87518 10.18741 17.70882       15.11677 
1 1 1 -8  28 35 o 16.59110 7.987446 -45.43000      38.31833 0.000000       0.000000 -45.43000      38.31833 ?        ?        16.59110 7.987446 ?              ?        
1 1 1 -8  28 36 o 25.85208 9.441555 35.56153       31.08787 84.82000       46.91078 -3.012000      41.51231 36.46997 11.64585 21.39491 9.589763 15.07505       15.08607 
1 1 1 -8  28 37 o 22.63489 9.010598 21.52609       29.94308 -15.68000      43.08640 56.28000       41.64233 20.31006 9.358669 30.65826 10.96346 -10.34821      14.41465 
1 1 1 -8  28 38 o 35.72734 8.999726 75.22021       31.45225 48.97000       46.60796 97.17000       42.61954 29.36578 11.37480 39.36583 10.75690 -10.00005      15.65557 
1 1 1 -8  28 39 o 20.00580 8.601598 7.286844       30.37310 -9.823000      46.47795 20.04000       40.12664 21.42167 9.815242 23.87418 10.06110 -2.452507      14.05577 
1 1 1 -8  28 40 o 27.72156 9.541941 45.48640       31.34276 49.78000       47.00831 42.05000       42.05489 29.05803 11.37564 27.47579 10.75862 1.582239       15.65737 
1 1 1 -8  28 41 o 19.95949 8.603659 7.703871       30.53701 16.06000       45.96526 1.102000       40.85646 23.96782 10.44216 21.26448 9.523835 2.703339       14.13302 
1 1 1 -8  28 42 o 34.45127 9.409801 72.70993       32.62171 74.22000       49.13921 71.52000       43.62042 33.19155 11.90480 32.97889 11.25969 0.2126617      16.38612 
1 1 1 -8  28 43 o 17.04451 7.888954 -14.58508      31.11425 58.77000       47.80441 -68.50000      40.98333 30.28690 11.57447 15.42782 7.604426 14.85908       13.84903 
1 1 1 -8  28 44 o 24.44347 10.65403 19.02000       47.89386 19.02000       47.89386 0.000000       0.000000 24.44347 10.65403 ?        ?        ?              ?        
1 1 1 -8  28 45 o 46.64320 10.35070 137.7000       46.02190 0.000000       0.000000 137.7000       46.02190 ?        ?        46.64320 10.35070 ?              ?        
1 1 1 -8  28 46 o 20.67378 8.814494 11.97301       31.40882 -41.11000      47.35410 53.67000       41.96934 18.60830 8.938171 29.12394 10.90892 -10.51564      14.10303 
1 1 1 -8  28 47 o 16.21317 7.547772 -16.03648      29.11922 -22.51000      42.78429 -10.45000      39.74505 19.04152 8.955726 19.52571 8.994079 -0.4841938     12.69246 
1 1 1 -8  28 48 o 24.64937 9.153928 34.70341       29.42702 7.521000       41.08786 63.33000       42.16522 21.69739 9.645041 30.69040 11.02527 -8.993010      14.64866 
1 1 1 -8  28 49 o 21.69538 8.810503 21.36777       29.24478 19.67000       41.09367 23.11000       41.62823 23.10294 9.969782 23.64577 10.11640 -0.5428314     14.20345 
1 1 1 -8  28 50 o 34.31195 9.135478 74.98528       31.22466 14.50000       43.66221 138.3000       44.67178 22.54770 9.987123 45.83035 10.21870 -23.28266      14.28861 
1 1 1 -8  29 1  o 76.74212 5.067012 293.2249       37.84904 262.7000       58.12220 315.7000       49.87301 71.52646 8.465653 79.22095 6.488401 -7.694489      10.66615 
1 1 1 -8  29 2  f 118.0530 3.986685 688.3886       46.00146 760.4000       86.51881 660.0080       54.31509 122.8185 7.228785 115.3459 4.821376 7.472610       8.689131 
1 1 1 -8  29 3  o 29.85513 7.165163 46.51068       20.67177 0.000000       0.000000 46.51068       20.67177 ?        ?        29.85513 7.165163 ?              ?        
1 1 1 -8  29 4  o 42.56925 4.703132 90.75888       19.27062 0.000000       0.000000 90.75888       19.27062 ?        ?        42.56925 4.703132 ?              ?        
1 1 1 -8  29 5  o 79.03984 3.319066 308.0585       25.62126 343.2000       61.40970 300.6521       28.19222 82.12909 7.729844 78.01063 3.702632 4.118462       8.570879 
1 1 1 -8  29 6  o 38.56429 4.518603 74.55199       16.73365 176.8000       51.19804 62.32294       17.70608 58.14450 9.309750 35.04006 5.330174 23.10445       10.72764 
1 1 1 -8  29 7  o 22.66325 6.350872 26.42752       14.64985 48.05000       48.13627 24.22033       15.37940 32.34433 11.75823 21.88416 6.618258 10.46017       13.49286 
1 1 1 -8  29 8  o 17.33352 6.352818 12.24028       14.09348 78.73000       48.20537 6.025795       14.73739 38.36080 11.74073 15.66592 6.292628 22.69487       13.32073 
1 1 1 -8  29 9  o 41.76376 4.168041 87.06102       16.81144 136.3000       51.22725 81.11803       17.79709 50.27104 10.73699 40.21029 4.604696 10.06075       11.68273 
1 1 1 -8  29 10 o 39.77983 4.356987 79.23956       16.68785 96.59000       49.95758 77.06039       17.70484 42.01492 11.71111 39.14654 4.715387 2.868374       12.62477 
1 1 1 -8  29 11 o 47.83774 3.874938 113.7823       17.98916 133.1000       51.74231 111.1263       19.18604 49.45317 10.97582 47.20856 4.195669 2.244610       11.75042 
1 1 1 -8  29 12 o 61.12042 3.398050 184.7820       20.24927 155.5000       53.68691 189.6386       21.86410 53.63552 10.60204 61.87600 3.625855 -8.240482      11.20491 
1 1 1 -8  29 13 o 54.74475 3.637069 148.6347       19.37896 125.2000       51.86036 152.4380       20.89242 47.69046 11.28637 55.39446 3.877642 -7.703995      11.93391 
1 1 1 -8  29 14 o 41.99843 4.151405 88.18630       16.84311 6.174000       48.23301 99.57600       17.97466 25.52610 10.90432 44.65005 4.160642 -19.12395      11.67113 
1 1 1 -8  29 15 o 69.58565 4.515100 241.4660       30.58737 194.4000       56.55698 260.9235       36.36436 60.26973 9.932663 72.13729 5.184611 -11.86757      11.20437 
1 1 1 -8  29 16 o 18.54825 7.904002 1.795353       25.23129 -62.96000      46.88948 28.18735       29.93462 18.40104 8.852919 25.25251 9.258020 -6.851465      12.80957 
1 1 1 -8  29 17 o 13.80686 5.935307 -0.5182176     14.45690 57.64000       47.17958 -6.544851      15.18749 33.51878 11.69797 12.88798 5.786717 20.63080       13.05100 
1 1 1 -8  29 18 o 14.90503 6.491475 -2.268000      17.75069 0.000000       0.000000 -2.268000      17.75069 ?        ?        14.90503 6.491475 ?              ?        
1 1 1 -8  29 19 o 26.61715 6.985576 37.41523       18.42581 190.2000       54.53150 17.72326       19.57726 59.40881 9.712890 20.38637 7.484845 39.02244       12.26226 
1 1 1 -8  29 20 o 78.55292 4.334710 307.8670       33.20027 0.000000       0.000000 307.8670       33.20027 ?        ?        78.55292 4.334710 ?              ?        
1 1 1 -8  29 21 o 68.39845 5.404214 236.3558       35.88758 0.000000       0.000000 236.3558       35.88758 ?        ?        68.39845 5.404214 ?              ?        
1 1 1 -8  29 22 o 90.35663 4.553534 408.4756       40.14326 466.7000       70.46544 380.5000       48.84431 94.76601 7.661846 86.61654 5.794449 8.149467       9.606223 
1 1 1 -8  29 23 f 49.46819 7.715014 129.3141       36.13833 41.40000       51.89275 212.1000       50.35650 30.71578 11.97304 63.24003 8.337936 -32.52425      14.59023 
1 1 1 -8  29 24 o 46.33989 7.993317 114.6296       34.94725 100.3000       52.67002 125.9000       46.71065 41.46950 12.17772 47.39529 10.35864 -5.925789      15.98744 
1 1 1 -8  29 25 o 102.0723 5.212842 526.8342       51.90963 415.2000       72.11097 646.9000       74.78462 88.30240 8.445809 111.8451 6.864142 -23.54266      10.88339 
1 1 1 -8  29 26 o 19.25909 8.433617 -1.854363      30.31697 -24.26000      46.96657 14.15000       39.69441 21.15255 9.755544 24.06528 10.06546 -2.912725      14.01728 
1 1 1 -8  29 27 o 77.73683 5.383999 308.3624       40.71425 338.8000       62.24345 285.6000       53.82658 79.51350 8.110818 73.33501 7.609041 6.178490       11.12128 
1 1 1 -8  29 28 o 60.91055 6.157098 192.9705       36.20570 136.6000       53.11361 241.9000       49.48404 47.74646 11.50196 67.23098 7.655742 -19.48452      13.81685 
1 1 1 -8  29 29 o 101.6224 5.044860 526.3291       50.02475 495.2000       72.44469 554.7000       69.16086 95.99622 7.776378 102.5578 6.930158 -6.561600      10.41629 
1 1 1 -8  29 30 o 54.41224 6.623254 156.7650       34.54974 94.94000       52.00853 205.6000       46.22300 38.89103 12.24336 61.51314 7.855905 -22.62211      14.54700 
1 1 1 -8  29 31 o 61.66773 6.196048 199.6317       36.89434 175.8000       56.45251 217.4000       48.74489 54.11393 11.03236 62.94157 8.099518 -8.827633      13.68631 
1 1 1 -8  29 32 o 17.39763 8.428888 -57.32000      44.36031 -57.32000      44.36031 0.000000       0.000000 17.39763 8.428888 ?        ?        ?              ?        
1 1 1 -8  29 33 o 26.24101 9.392819 36.96008       30.57315 32.04000       44.31219 41.43000       42.23639 26.81845 10.86193 28.17154 10.85061 -1.353092      15.35309 
1 1 1 -8  29 34 f 47.11897 10.80546 135.6000       48.77222 0.000000       0.000000 135.6000       48.77222 ?        ?        47.11897 10.80546 ?              ?        
1 1 1 -8  29 35 o 48.10773 7.485806 127.5956       34.10389 122.9000       48.73949 132.1000       47.73650 44.16671 11.24590 46.33567 10.73577 -2.168961      15.54757 
1 1 1 -8  29 36 o 26.81727 9.363901 40.62079       30.23280 43.61000       44.79463 38.12000       40.97193 28.35226 11.10303 27.09092 10.61586 1.261341       15.36144 
1 1 1 -8  29 37 o 28.74152 9.340724 48.59716       30.08995 46.82000       44.13981 50.14000       41.12699 28.76819 11.08927 29.23315 10.82817 -0.4649563     15.49907 
1 1 1 -8  29 38 o 24.99620 9.301528 33.61910       30.41270 -3.268000      45.08868 64.41000       41.19472 21.74961 9.849112 31.86832 10.94038 -10.11871      14.72063 
1 1 1 -8  29 39 o 25.72791 9.399974 37.18676       30.81923 5.900000       45.68323 63.32000       41.75159 22.76324 10.14132 31.45151 11.00256 -8.688265      14.96338 
1 1 1 -8  29 40 o 34.97229 9.276804 74.76556       32.27350 79.86000       47.59695 70.43000       43.90904 34.24003 11.75965 32.63271 11.29120 1.607327       16.30278 
1 1 1 -8  29 41 o 24.79221 9.334048 33.28620       30.81056 64.12000       47.01704 10.08000       40.78907 31.34803 11.58377 22.34092 9.782771 9.007109       15.16201 
1 1 1 -8  29 42 o 20.23259 9.461490 -19.45000      46.59772 -19.45000      46.59772 0.000000       0.000000 20.23259 9.461490 ?        ?        ?              ?        
1 1 1 -8  29 43 o 31.86690 9.587736 63.46023       32.33610 88.88000       49.16399 44.08000       42.92802 35.60130 11.95517 27.52507 10.84204 8.076233       16.13927 
1 1 1 -8  29 44 o 26.42298 10.60606 38.11000       41.83539 0.000000       0.000000 38.11000       41.83539 ?        ?        26.42298 10.60606 ?              ?        
1 1 1 -8  29 45 o 21.60832 8.964850 18.00699       31.11979 -8.934000      45.81204 41.09000       42.40519 20.90970 9.640434 26.84361 10.71075 -5.933912      14.41035 
1 1 1 -8  29 46 o 26.08336 9.387107 40.32138       30.58182 28.26000       44.99146 50.68000       41.69487 25.06192 10.61212 28.44018 10.82385 -3.378263      15.15826 
1 1 1 -8  29 47 o 28.48768 9.339006 50.74065       30.04698 37.77000       42.88280 63.25000       42.11334 26.09096 10.64147 30.60992 11.01571 -4.518963      15.31623 
1 1 1 -8  29 48 o 22.84909 8.971254 27.26358       29.30941 41.74000       41.31729 12.60000       41.58352 26.43020 10.56354 22.20660 9.795292 4.223600       14.40611 
1 1 1 -8  29 49 o 19.74090 8.436921 11.91928       28.89881 12.55000       40.42393 11.26000       41.32928 21.80202 9.635484 21.77835 9.677629 0.2367783E-01  13.65647 
1 1 1 -8  30 1  o 47.76494 4.152782 113.6835       19.22298 112.1000       50.10934 113.9568       20.81557 45.23477 11.34000 47.74770 4.507120 -2.512932      12.20286 
1 1 1 -8  30 2  o 103.2112 4.319748 528.3486       43.54419 0.000000       0.000000 528.3486       43.54419 ?        ?        103.2112 4.319748 ?              ?        
1 1 1 -8  30 3  o 36.99368 4.929479 69.14480       17.40600 51.08000       50.37767 71.59367       18.54830 32.97778 12.02282 37.59503 5.177791 -4.617245      13.09037 
1 1 1 -8  30 4  o 27.78630 6.066555 40.11028       16.03605 32.54000       48.44181 41.04198       16.99422 29.52283 11.55067 28.06639 6.336546 1.456440       13.17459 
1 1 1 -8  30 5  o 71.80947 3.418088 254.8622       23.95646 358.0000       60.67360 235.8132       26.07508 83.70979 7.483724 68.96944 3.878071 14.74035       8.428852 
1 1 1 -8  30 6  o 81.96684 3.343569 331.8046       26.76961 350.9000       62.12922 327.4514       29.66444 82.70889 7.765099 81.33549 3.736038 1.373398       8.617120 
1 1 1 -8  30 7  f 66.83357 3.450435 220.9463       22.49582 198.4000       55.67707 225.3450       24.59257 61.18159 9.613857 67.43530 3.740374 -6.253712      10.31584 
1 1 1 -8  30 8  o 56.05509 3.696043 155.8865       20.16638 102.7000       51.88407 165.3515       21.88734 43.00840 11.91483 57.69583 3.898520 -14.68743      12.53641 
1 1 1 -8  30 9  o 44.05323 4.064367 96.86624       17.32829 149.7000       50.58461 89.84206       18.44424 52.69013 10.17650 42.31188 4.523504 10.37825       11.13657 
1 1 1 -8  30 10 o 66.87257 3.452315 221.3051       22.52122 131.6000       54.06691 240.1372       24.77267 48.72370 11.51938 69.62305 3.647801 -20.89935      12.08315 
1 1 1 -8  30 11 o 62.10644 3.506431 191.0780       21.22954 195.8000       55.26342 190.2606       22.99385 60.61620 9.636326 61.90518 3.813216 -1.288982      10.36337 
1 1 1 -8  30 12 o 65.04095 3.421292 209.4333       21.70467 176.5000       54.21455 215.7193       23.68566 57.24934 10.04067 65.95296 3.683613 -8.703621      10.69505 
1 1 1 -8  30 13 o 90.15804 3.270334 401.6548       28.81261 276.7000       62.31170 435.6370       32.49516 72.50321 8.971461 93.82185 3.544788 -21.31863      9.646379 
1 1 1 -8  30 14 o 36.24979 4.580346 66.37988       15.88995 20.47000       48.07999 72.00916       16.83597 27.29244 11.21519 37.75939 4.653534 -10.46695      12.14232 
1 1 1 -8  30 15 o 74.47755 3.302168 274.4619       24.01318 216.6000       57.33824 286.7690       26.44393 63.64331 9.494167 76.06525 3.561566 -12.42193      10.14021 
1 1 1 -8  30 16 o 49.82151 7.737813 130.2324       36.51097 57.32000       50.83785 207.9000       52.46943 33.60894 12.10206 62.63722 8.800280 -29.02828      14.96344 
1 1 1 -8  30 17 o 86.03763 3.718398 367.3826       31.24093 289.5000       63.27348 392.4898       35.92534 73.92772 8.924325 88.78636 4.145233 -14.85864      9.840047 
1 1 1 -8  30 18 o 11.68299 5.497919 -16.65803      16.16457 -55.91000      46.79616 -11.34000      17.22482 18.75685 8.976512 13.00340 5.964445 5.753449       10.77740 
1 1 1 -8  30 19 o 119.9897 4.583156 719.5984       53.72984 0.000000       0.000000 719.5984       53.72984 ?        ?        119.9897 4.583156 ?              ?        
1 1 1 -8  30 20 o 72.46179 5.387923 265.6981       37.94177 0.000000       0.000000 265.6981       37.94177 ?        ?        72.46179 5.387923 ?              ?        
1 1 1 -8  30 21 o 91.01094 3.766534 411.9678       33.48128 297.0000       65.15476 453.2202       39.02856 74.35726 9.144279 95.28522 4.194850 -20.92796      10.06055 
1 1 1 -8  30 22 o 99.93018 3.656417 496.3648       35.70473 432.1000       71.38686 517.8044       41.23263 90.51237 8.144583 101.8465 4.144734 -11.33418      9.138548 
1 1 1 -8  30 23 o 71.64674 5.748931 262.3110       39.97904 253.7000       58.61845 269.8000       54.66604 68.46789 8.961534 71.32803 7.965631 -2.860146      11.99001 
1 1 1 -8  30 24 o 29.69682 9.583663 48.15989       31.70863 63.92000       48.48293 36.38000       41.91600 33.80023 11.85400 28.13201 10.81613 5.668226       16.04700 
1 1 1 -8  30 25 o 53.36377 6.875814 150.0704       35.08129 145.7000       52.90564 153.5000       46.86640 49.88269 11.11944 52.39527 9.487461 -2.512577      14.61690 
1 1 1 -8  30 26 o 61.38902 6.193583 196.1507       36.70845 214.4000       55.43576 181.9000       48.98739 61.92342 9.444396 57.25926 9.040058 4.664162       13.07361 
1 1 1 -8  30 27 o 38.93478 8.770397 85.56604       32.61916 57.68000       48.73312 108.2000       43.90470 31.97625 11.79730 42.73988 10.55752 -10.76363      15.83153 
1 1 1 -8  30 28 o 50.05589 7.137204 134.5041       33.98022 71.48000       50.64641 186.1000       45.82507 34.42596 12.11226 58.18148 8.280041 -23.75552      14.67194 
1 1 1 -8  30 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  30 30 o 40.01773 12.38880 103.4000       53.48739 103.4000       53.48739 0.000000       0.000000 40.01773 12.38880 ?        ?        ?              ?        
1 1 1 -8  30 31 o 36.09761 12.04422 82.90000       49.90902 82.90000       49.90902 0.000000       0.000000 36.09761 12.04422 ?        ?        ?              ?        
1 1 1 -8  30 32 o 26.77946 9.477577 39.36457       31.04467 -2.454000      45.76516 75.01000       42.25250 22.40869 10.05464 34.82147 11.04488 -12.41278      14.93604 
1 1 1 -8  30 33 o 46.35091 10.75035 131.9000       47.82587 0.000000       0.000000 131.9000       47.82587 ?        ?        46.35091 10.75035 ?              ?        
1 1 1 -8  30 34 o 18.64814 8.279842 -2.125510      30.19019 1.682000       43.43274 -5.685000      41.99433 22.23315 9.897812 21.08847 9.531754 1.144682       13.74122 
1 1 1 -8  30 35 o 67.71375 5.772287 241.3620       37.89435 212.9000       54.55342 267.9000       52.67723 60.08912 9.597887 69.32708 7.903725 -9.237957      12.43336 
1 1 1 -8  30 36 o 38.12244 8.727566 85.29224       31.86293 80.45000       46.38087 89.62000       43.84773 34.96142 11.60925 37.18363 11.15954 -2.222210      16.10311 
1 1 1 -8  30 37 o 17.87969 8.026736 -4.253789      29.20855 -21.63000      43.20709 10.37000       39.63761 19.46294 9.104566 22.25002 9.695243 -2.787083      13.30003 
1 1 1 -8  30 38 o 21.95152 8.914128 19.88560       29.93520 58.61000       43.98762 -13.52000      40.85524 30.38349 11.20845 19.65554 9.077106 10.72795       14.42301 
1 1 1 -8  30 39 o 24.74418 9.350849 33.20926       30.98685 62.29000       46.23481 9.495000       41.75140 30.93993 11.47710 22.38610 9.847003 8.553833       15.12241 
1 1 1 -8  30 40 o 20.03372 8.614137 8.615321       30.46530 -1.605000      45.82571 16.71000       40.78277 21.83186 9.903437 23.17138 9.964985 -1.339520      14.04916 
1 1 1 -8  30 41 o 22.80478 10.15832 7.972000       45.81893 7.972000       45.81893 0.000000       0.000000 22.80478 10.15832 ?        ?        ?              ?        
1 1 1 -8  30 42 o 30.12971 9.628740 56.69730       32.06295 61.22000       48.67221 53.23000       42.61652 30.49771 11.67310 29.07994 10.97124 1.417770       16.01966 
1 1 1 -8  30 43 o 20.18647 9.222089 -6.353000      40.63287 0.000000       0.000000 -6.353000      40.63287 ?        ?        20.18647 9.222089 ?              ?        
1 1 1 -8  30 44 o 19.29512 8.432359 5.345328       30.17375 3.282000       45.08003 7.020000       40.61298 21.97472 9.909247 21.63280 9.604279 0.3419228      13.79983 
1 1 1 -8  30 45 o 28.55173 9.468411 50.73431       30.85465 18.73000       45.28723 78.46000       42.15146 23.79167 10.36514 33.94063 11.05723 -10.14896      15.15581 
1 1 1 -8  30 46 o 24.95506 9.223592 36.33685       29.81260 69.16000       43.18000 6.438000       41.21162 31.63026 11.17907 21.50146 9.602161 10.12880       14.73679 
1 1 1 -8  30 47 o 14.05676 6.786992 -33.13674      28.15066 -60.73000      39.35289 -4.220000      40.28559 15.21845 7.491629 19.98458 9.149749 -4.766126      11.82550 
1 1 1 -8  30 48 o 25.01603 9.246069 38.16464       29.95800 68.04000       42.04023 7.342000       42.70152 30.86234 11.01804 21.48808 9.671029 9.374254       14.66036 
1 1 1 -8  31 1  o 63.98816 4.772369 204.8245       29.67570 0.000000       0.000000 204.8245       29.67570 ?        ?        63.98816 4.772369 ?              ?        
1 1 1 -8  31 2  o 66.44563 3.557052 218.7060       23.05033 309.8000       58.80569 202.1692       25.05536 77.46576 7.864259 63.76559 4.034977 13.70017       8.838982 
1 1 1 -8  31 3  o 53.64755 4.243861 143.5976       22.10382 133.3000       52.31741 145.8351       24.38732 49.13286 11.13658 53.96099 4.662898 -4.828133      12.07336 
1 1 1 -8  31 4  o 58.59377 4.001221 170.8069       22.81057 209.8000       54.81590 162.6406       25.08572 62.99177 9.158387 57.03781 4.530412 5.953960       10.21767 
1 1 1 -8  31 5  o 71.85520 3.424206 255.5028       24.01446 253.8000       58.03677 255.8545       26.37859 69.59269 8.710105 71.82246 3.765345 -2.229767      9.489139 
1 1 1 -8  31 6  o 39.50046 4.653284 78.64230       17.64671 131.7000       50.53307 71.27337       18.83231 48.90619 10.84098 37.41767 5.289174 11.48851       12.06243 
1 1 1 -8  31 7  o 119.8409 3.364823 709.6033       39.43151 725.4000       86.56701 705.4676       44.29341 118.9930 7.470017 119.3369 3.796742 -0.3439255     8.379523 
1 1 1 -8  31 8  o 104.3045 3.283646 537.5337       33.48299 514.1000       72.53079 543.8801       37.74568 100.0618 7.459049 104.7908 3.685653 -4.729012      8.319943 
1 1 1 -8  31 9  o 24.93278 6.098452 32.54789       14.75818 49.07000       45.89795 30.64268       15.58587 31.71542 11.48847 24.19138 6.460352 7.524038       13.18033 
1 1 1 -8  31 10 o 17.17076 6.297925 12.23542       13.85507 38.77000       47.95013 9.818217       14.47239 30.10881 11.57048 16.59327 6.361709 13.51554       13.20406 
1 1 1 -8  31 11 o 33.17479 4.953354 56.10280       15.59276 53.66000       47.46081 56.39838       16.50918 32.66499 11.70165 33.18359 5.257780 -0.5185966     12.82860 
1 1 1 -8  31 12 o 56.81243 3.667290 160.4455       20.28470 143.1000       52.65598 163.4682       21.98120 50.72892 10.92740 57.27841 3.944705 -6.549492      11.61761 
1 1 1 -8  31 13 o 33.59754 5.102955 57.70548       16.25465 34.75000       47.79824 60.70735       17.28481 29.30167 11.47088 34.42305 5.299675 -5.121386      12.63597 
1 1 1 -8  31 14 o 30.15412 5.669324 47.16460       16.11930 -7.069000      47.13931 54.34583       17.15333 23.36031 10.36054 32.44086 5.604549 -9.080553      11.77929 
1 1 1 -8  31 15 o 49.79493 4.369261 124.3855       21.08046 80.70000       49.83033 133.9080       23.26482 37.88710 11.99168 51.59613 4.656621 -13.70903      12.86408 
1 1 1 -8  31 16 o 70.06067 4.684096 246.2973       31.93774 161.7000       54.40581 290.7777       39.45042 53.89766 10.69024 75.87522 5.346068 -21.97756      11.95248 
1 1 1 -8  31 17 o 72.04375 4.551504 260.2414       31.93242 199.4000       56.10807 289.3889       38.83532 60.42765 9.823062 75.68209 5.275396 -15.25444      11.14999 
1 1 1 -8  31 18 o 14.77165 6.382687 -0.7898884     16.88514 0.000000       0.000000 -0.7898884     16.88514 ?        ?        14.77165 6.382687 ?              ?        
1 1 1 -8  31 19 o 24.53619 7.185510 31.78119       18.35929 3.273000       46.54283 37.03442       19.97936 24.24916 10.53679 26.34846 7.428395 -2.099298      12.89206 
1 1 1 -8  31 20 o 99.97172 3.301330 495.6655       32.26088 478.3000       71.19574 500.1523       36.18944 95.48462 7.682321 100.2578 3.694032 -4.773170      8.524314 
1 1 1 -8  31 21 o 94.93395 5.206334 456.7428       48.19412 413.9000       68.72391 498.2000       67.60345 88.29987 8.039427 97.73742 7.115191 -9.437553      10.73584 
1 1 1 -8  31 22 o 20.18636 6.989607 19.72293       16.82721 0.000000       0.000000 19.72293       16.82721 ?        ?        20.18636 6.989607 ?              ?        
1 1 1 -8  31 23 o 51.43048 10.79606 153.7000       52.61461 153.7000       52.61461 0.000000       0.000000 51.43048 10.79606 ?        ?        ?              ?        
1 1 1 -8  31 24 o 41.19770 8.657747 94.72799       33.80175 76.56000       48.94028 111.3000       46.74129 35.73238 11.92685 43.23560 11.01519 -7.503220      16.23528 
1 1 1 -8  31 25 o 86.42539 5.279169 382.7616       44.44638 314.5000       63.70614 447.5000       62.04029 75.39144 8.798012 92.00505 6.940167 -16.61361      11.20584 
1 1 1 -8  31 26 o 30.30005 9.508718 52.47375       31.39438 55.34000       48.25391 50.37000       41.34028 31.39417 11.70971 30.09013 10.90267 1.304037       15.99955 
1 1 1 -8  31 27 o 28.77252 9.466246 46.78771       30.86016 29.48000       48.52714 58.54000       39.98768 27.16490 11.22551 31.61648 10.78095 -4.451582      15.56409 
1 1 1 -8  31 28 o 22.94362 9.084179 21.83730       30.27761 33.84000       47.10958 13.39000       39.52108 27.48189 11.17420 23.26142 9.901626 4.220474       14.93000 
1 1 1 -8  31 29 o 31.80824 11.77390 59.89000       48.60971 59.89000       48.60971 0.000000       0.000000 31.80824 11.77390 ?        ?        ?              ?        
1 1 1 -8  31 30 o 39.10415 8.817644 88.12183       32.94257 29.52000       46.65248 146.4000       46.52346 26.63158 11.00597 49.83925 9.885796 -23.20767      14.79393 
1 1 1 -8  31 31 f 51.08081 9.787872 153.8000       47.15782 0.000000       0.000000 153.8000       47.15782 ?        ?        51.08081 9.787872 ?              ?        
1 1 1 -8  31 32 o 40.60034 10.79716 103.1000       43.64871 0.000000       0.000000 103.1000       43.64871 ?        ?        40.60034 10.79716 ?              ?        
1 1 1 -8  31 33 o 32.81737 9.296206 64.42801       31.21385 44.23000       46.16360 81.44000       42.36653 28.46206 11.23330 35.74145 11.01921 -7.279390      15.73563 
1 1 1 -8  31 34 o 36.32961 8.903188 77.93683       31.40898 63.20000       46.01767 90.79000       42.97617 31.69746 11.50040 37.66251 10.98366 -5.965046      15.90283 
1 1 1 -8  31 35 o 21.36272 8.843920 15.93117       30.19552 -34.91000      44.01543 61.13000       41.50121 18.56596 8.835233 31.11678 10.96294 -12.55082      14.08004 
1 1 1 -8  31 36 o 35.81092 8.958042 77.15573       31.31849 106.5000       46.02422 51.85000       42.73998 40.08757 11.26491 29.11004 10.98612 10.97754       15.73509 
1 1 1 -8  31 37 o 22.66525 9.014653 23.87006       29.94410 -9.100000      42.81777 55.43000       41.89211 20.45988 9.391724 29.65620 10.93856 -9.196323      14.41723 
1 1 1 -8  31 38 o 23.46625 9.166626 27.48405       30.46930 25.51000       44.21018 29.27000       42.05105 24.86068 10.52291 25.15551 10.42743 -0.2948303     14.81428 
1 1 1 -8  31 39 o 18.01732 8.109675 -3.969900      30.03400 -7.507000      45.25178 -1.185000      40.15289 21.03293 9.654848 20.70493 9.342950 0.3280029      13.43528 
1 1 1 -8  31 40 o 35.79518 11.86847 89.86000       48.47979 89.86000       48.47979 0.000000       0.000000 35.79518 11.86847 ?        ?        ?              ?        
1 1 1 -8  31 41 o 16.99139 7.806703 -10.94017      29.67755 17.84000       45.07678 -32.96000      39.42876 23.77723 10.35019 17.39738 8.302296 6.379847       13.26855 
1 1 1 -8  31 42 o 27.87487 10.80071 47.18000       42.03207 0.000000       0.000000 47.18000       42.03207 ?        ?        27.87487 10.80071 ?              ?        
1 1 1 -8  31 43 o 32.04388 9.504876 64.95676       31.95349 44.29000       46.86547 82.91000       43.68055 27.44841 11.15090 34.64333 11.25384 -7.194918      15.84271 
1 1 1 -8  31 44 o 21.52520 8.803702 19.59462       29.45031 38.73000       42.65075 2.157000       40.71473 26.30789 10.65592 21.01003 9.450686 5.297859       14.24303 
1 1 1 -8  31 45 o 29.06359 9.310328 53.41816       29.96388 96.80000       42.64843 11.13000       42.10741 37.52443 10.94122 22.15538 9.810807 15.36905       14.69565 
1 1 1 -8  31 46 o 21.00924 8.736418 18.04023       29.65073 60.67000       42.23489 -23.39000      41.63643 29.63774 10.97396 18.38482 8.703581 11.25291       14.00644 
1 1 1 -8  31 47 o 36.37806 8.907874 83.52951       31.46118 108.4000       44.35611 58.35000       44.63082 39.00446 11.09284 28.83844 11.14162 10.16601       15.72217 
1 1 1 -8  32 1  o 54.93174 5.210556 152.3499       27.68149 125.0000       52.33741 162.9723       32.61706 47.12518 11.45866 56.56321 5.981730 -9.438030      12.92602 
1 1 1 -8  32 2  o 38.23445 5.190884 74.42474       18.92557 104.1000       49.98609 69.45892       20.44784 42.93138 11.61563 36.71422 5.888959 6.217159       13.02316 
1 1 1 -8  32 3  o 62.81407 4.214463 196.8818       25.76232 292.8000       59.31047 174.5763       28.60136 74.83212 8.233102 58.89566 5.008792 15.93646       9.637010 
1 1 1 -8  32 4  o 73.56748 3.770427 268.8009       27.06024 260.7000       59.27961 270.9333       30.41395 70.23411 8.816630 73.72038 4.232611 -3.486275      9.779978 
1 1 1 -8  32 5  o 70.65640 3.821820 248.1303       26.33349 274.0000       59.00941 241.6973       29.42605 72.17766 8.516200 69.57703 4.342406 2.600624       9.559402 
1 1 1 -8  32 6  o 65.66548 3.482287 213.8684       22.30244 307.3000       58.22106 197.8006       24.14412 76.84493 7.850495 63.02719 3.933212 13.81774       8.780684 
1 1 1 -8  32 7  o 46.56241 4.135644 108.5349       18.65297 109.9000       49.31237 108.3070       20.15016 44.10009 11.35570 46.42105 4.490638 -2.320961      12.21137 
1 1 1 -8  32 8  o 19.23088 6.477757 17.79685       14.43338 -6.715000      45.37390 20.55635       15.22416 22.97020 10.17729 20.36505 6.645891 2.605143       12.15504 
1 1 1 -8  32 9  o 28.62004 5.693396 42.61922       15.38812 50.60000       47.06483 41.66396       16.28304 31.91279 11.62287 28.19875 6.078526 3.714045       13.11639 
1 1 1 -8  32 10 o 82.23560 3.297307 334.8294       26.48769 333.2000       61.47181 335.2009       29.35237 79.86916 7.969313 82.17236 3.658487 -2.303200      8.768950 
1 1 1 -8  32 11 o 21.49131 6.300685 23.92771       14.10950 83.29000       47.70914 18.23814       14.77020 38.38944 11.66650 19.44125 6.552916 18.94819       13.38088 
1 1 1 -8  32 12 o 19.26398 6.276484 18.36974       13.58148 -6.057000      46.52785 20.64490       14.19991 23.24784 10.30281 20.22214 6.401526 3.025702       12.12961 
1 1 1 -8  32 13 f 11.48009 5.310168 -10.92067      14.06470 -23.34000      45.25928 -9.593127      14.79733 21.03866 9.656800 12.08922 5.538820 8.949440       11.13249 
1 1 1 -8  32 14 o 86.03696 3.799087 368.3418       31.91526 281.0000       61.00777 401.2508       37.44823 72.56051 8.767249 89.60835 4.281885 -17.04784      9.757008 
1 1 1 -8  32 15 o 101.9569 3.314183 515.1793       33.03101 471.5000       71.45663 527.0489       37.24959 94.92603 7.758045 102.9676 3.701877 -8.041603      8.595996 
1 1 1 -8  32 16 o 85.38979 3.723111 362.8659       31.04367 0.000000       0.000000 362.8659       31.04367 ?        ?        85.38979 3.723111 ?              ?        
1 1 1 -8  32 17 o 52.58078 7.017942 144.9343       35.21851 0.000000       0.000000 144.9343       35.21851 ?        ?        52.58078 7.017942 ?              ?        
1 1 1 -8  32 18 o 71.59020 3.450043 255.0057       24.10483 155.0000       54.10561 279.7706       26.92451 51.90993 10.99121 74.90884 3.683343 -22.99892      11.59197 
1 1 1 -8  32 19 o 61.55542 6.206993 196.1579       36.88824 125.9000       50.74316 274.9000       53.71971 46.31370 11.29599 71.93195 7.751917 -25.61826      13.70006 
1 1 1 -8  32 20 o 55.37317 3.871852 153.7878       20.85351 115.5000       49.03938 162.2397       23.04049 44.13167 11.30362 56.77103 4.175495 -12.63936      12.05017 
1 1 1 -8  32 21 o 34.45309 5.371823 61.71741       17.52510 52.07000       46.60622 63.30614       18.91315 31.10185 11.52572 34.75741 5.760783 -3.655560      12.88521 
1 1 1 -8  32 22 o 61.46816 3.389381 188.6806       20.31386 200.7000       54.37295 186.7308       21.89963 59.50496 9.666649 61.03941 3.682518 -1.534458      10.34432 
1 1 1 -8  32 23 o 62.92489 5.957970 206.2987       36.25962 183.5000       54.01462 225.0000       48.92066 56.23704 10.18756 64.29250 7.942360 -8.055458      12.91772 
1 1 1 -8  32 24 o 59.07732 8.451729 193.2000       47.48249 0.000000       0.000000 193.2000       47.48249 ?        ?        59.07732 8.451729 ?              ?        
1 1 1 -8  32 25 o 42.09239 12.17044 113.0000       52.97056 113.0000       52.97056 0.000000       0.000000 42.09239 12.17044 ?        ?        ?              ?        
1 1 1 -8  32 26 o 53.73368 7.039081 155.6697       36.13340 108.5000       53.92728 194.1000       48.67594 40.84056 12.40187 58.71667 8.734891 -17.87611      15.16920 
1 1 1 -8  32 27 o 35.69757 9.249775 74.60922       32.58008 20.03000       48.89272 118.2000       43.69461 25.68845 10.97629 44.40127 10.25977 -18.71282      15.02471 
1 1 1 -8  32 28 o 40.62833 11.62084 105.2000       48.54255 105.2000       48.54255 0.000000       0.000000 40.62833 11.62084 ?        ?        ?              ?        
1 1 1 -8  32 29 o 33.58841 9.363857 66.85008       31.93572 -17.95000      44.84578 154.1000       45.48896 20.52208 9.488882 51.46134 9.375975 -30.93926      13.33971 
1 1 1 -8  32 30 f 36.57957 11.26242 85.61000       44.27537 0.000000       0.000000 85.61000       44.27537 ?        ?        36.57957 11.26242 ?              ?        
1 1 1 -8  32 31 o 27.65542 9.467900 44.22332       30.84657 33.10000       45.47915 53.70000       41.97815 26.65993 10.92618 29.95547 10.96640 -3.295540      15.48042 
1 1 1 -8  32 32 o 27.95102 9.390978 45.76456       30.33565 125.7000       46.34003 -14.18000      40.12929 44.78454 10.71491 19.61420 9.035781 25.17034       14.01623 
1 1 1 -8  32 33 o 28.97718 9.405663 50.31734       30.51505 38.54000       45.75803 59.75000       40.95065 27.24928 11.03725 30.86841 10.88873 -3.619125      15.50436 
1 1 1 -8  32 34 o 22.98410 9.044153 25.19161       29.84458 68.70000       44.62014 -10.03000      40.14663 32.30563 11.36863 19.85713 9.107265 12.44851       14.56668 
1 1 1 -8  32 35 o 34.60357 9.205642 73.13720       31.72228 28.66000       46.39060 112.2000       43.47534 25.58238 10.80141 41.78553 10.61136 -16.20315      15.14171 
1 1 1 -8  32 36 o 35.39994 9.160830 76.68737       31.98425 62.92000       46.77244 88.78000       43.83540 30.90502 11.52830 36.31376 11.21087 -5.408737      16.08059 
1 1 1 -8  32 37 o 17.31966 7.909880 -9.134135      29.86131 -20.20000      44.36504 0.3155000E-01  40.37669 19.69403 9.216914 20.92407 9.411750 -1.230042      13.17317 
1 1 1 -8  32 38 o 25.07225 9.307716 35.61190       30.41913 28.04000       46.01397 41.49000       40.54203 25.23373 10.71045 26.84433 10.54781 -1.610596      15.03230 
1 1 1 -8  32 39 o 30.46487 11.69757 61.84000       48.98126 61.84000       48.98126 0.000000       0.000000 30.46487 11.69757 ?        ?        ?              ?        
1 1 1 -8  32 40 f 22.15810 9.002960 21.62397       30.55441 42.82000       46.20168 5.148000       40.73391 27.31233 11.08046 21.45574 9.566394 5.856596       14.63873 
1 1 1 -8  32 41 o 23.19374 9.983138 18.53000       40.99836 0.000000       0.000000 18.53000       40.99836 ?        ?        23.19374 9.983138 ?              ?        
1 1 1 -8  32 42 o 30.67946 9.514232 59.70564       31.53016 42.94000       46.33003 74.17000       43.03305 27.13781 11.06376 32.79228 11.18390 -5.654470      15.73170 
1 1 1 -8  32 43 o 17.96999 8.030300 -0.9543098     28.87310 22.41000       41.77162 -22.33000      39.95443 23.68715 10.13395 18.29367 8.619610 5.393476       13.30393 
1 1 1 -8  32 44 o 18.77138 8.188122 5.921600       28.33614 41.66000       39.36010 -32.53000      40.82685 26.30165 10.37506 17.52951 8.387884 8.772137       13.34160 
1 1 1 -8  32 45 o 17.89112 7.976240 0.8482121      28.31009 2.149000       39.58829 -0.5132000     40.50031 20.43252 9.243096 20.30012 9.248265 0.1323986      13.07537 
1 1 1 -8  32 46 o 21.33442 8.739511 21.14918       29.07992 28.34000       40.68700 13.64000       41.57791 23.85105 10.09520 21.98606 9.741714 1.864985       14.02904 
1 1 1 -8  33 1  o 77.91691 3.417257 300.9870       25.99909 327.7000       60.24876 294.8742       28.82066 79.20056 7.875916 76.99170 3.836401 2.208862       8.760595 
1 1 1 -8  33 2  o 46.27793 6.113791 110.1984       27.01751 75.51000       50.57598 124.0501       31.95976 36.78777 12.11929 48.84589 6.874434 -12.05812      13.93324 
1 1 1 -8  33 3  o 67.84879 3.573827 228.6632       23.65090 255.2000       56.99777 223.1438       25.99437 69.39739 8.572989 66.90229 3.987559 2.495102       9.454986 
1 1 1 -8  33 4  o 82.64772 3.349934 338.4631       27.04409 393.0000       65.01206 327.0510       29.73933 86.85464 7.727664 81.11188 3.755962 5.742760       8.592092 
1 1 1 -8  33 5  o 47.25204 4.564985 112.4663       20.85120 189.7000       52.29116 97.86406       22.73703 59.25778 9.322842 43.78917 5.420322 15.46862       10.78403 
1 1 1 -8  33 6  o 49.55792 4.419188 123.4339       21.21224 111.4000       48.66423 126.2567       23.56915 44.21999 11.22523 49.98463 4.879328 -5.764641      12.23983 
1 1 1 -8  33 7  o 27.04607 6.170415 38.55174       15.97299 56.63000       45.10213 35.95914       17.07997 32.70316 11.43587 26.04132 6.671437 6.661833       13.23960 
1 1 1 -8  33 8  o 92.09893 3.298587 420.2854       29.68840 476.2000       67.55380 406.9009       33.05126 95.85643 7.253667 90.46001 3.740789 5.396416       8.161446 
1 1 1 -8  33 9  o 28.00019 5.695163 40.98246       15.07689 91.25000       46.94108 35.20029       15.92042 39.86681 11.43536 25.78950 6.349756 14.07731       13.08002 
1 1 1 -8  33 10 o 14.60742 5.944578 4.807532       13.34643 18.59000       46.71508 3.582570       13.92691 26.34498 10.96144 14.51960 6.008144 11.82538       12.50004 
1 1 1 -8  33 11 o 10.64705 4.957344 -10.95772      12.56931 5.481000       47.04715 -12.22125      13.04342 24.61530 10.64511 10.69809 5.003784 13.91721       11.76249 
1 1 1 -8  33 12 o 76.23541 3.774476 289.5710       28.07806 302.6000       60.69970 286.0242       31.67004 75.42917 8.361591 75.56763 4.299345 -0.1384583     9.402158 
1 1 1 -8  33 13 o 54.81973 3.885937 150.3210       20.71642 151.9000       51.75817 150.0198       22.60620 51.82793 10.56140 54.64654 4.259917 -2.818607      11.38815 
1 1 1 -8  33 14 o 71.53082 4.611960 257.7662       32.11917 287.5000       57.87584 244.5328       38.61069 73.40775 8.194283 69.11580 5.759513 4.291946       10.01590 
1 1 1 -8  33 15 o 56.22987 4.032287 158.6428       22.04611 0.000000       0.000000 158.6428       22.04611 ?        ?        56.22987 4.032287 ?              ?        
1 1 1 -8  33 16 o 60.06909 3.718067 180.4236       21.75407 95.56000       53.19563 197.4659       23.83853 39.75234 12.36291 62.78701 3.898079 -23.03468      12.96289 
1 1 1 -8  33 17 o 51.17331 5.756832 135.4030       28.33624 99.29000       49.19505 153.3330       34.66414 40.60686 11.72501 54.00315 6.701474 -13.39629      13.50502 
1 1 1 -8  33 18 o 93.92886 3.326907 439.1758       30.53934 329.5000       62.72870 473.2468       34.96256 77.92889 8.353817 97.32888 3.676519 -19.39999      9.127050 
1 1 1 -8  33 19 o 70.24174 3.929222 247.8321       26.90751 171.3000       53.41238 273.8602       31.14878 54.30436 10.42747 73.64360 4.340402 -19.33924      11.29474 
1 1 1 -8  33 20 o 53.88041 3.855392 146.1626       20.19882 154.1000       49.92434 144.6091       22.08731 51.33688 10.29382 53.42912 4.258581 -2.092243      11.13994 
1 1 1 -8  33 21 f 60.03944 3.580762 180.7636       20.94792 169.6000       50.91338 183.0385       22.98343 54.06818 9.988040 60.27628 3.916700 -6.208099      10.72854 
1 1 1 -8  33 22 o 40.66560 4.059192 83.95013       15.94181 71.99000       47.43817 85.47277       16.92620 34.29146 11.74121 40.95318 4.285852 -6.661724      12.49898 
1 1 1 -8  33 23 o 30.02691 9.365960 52.06877       30.50645 85.94000       46.23328 25.95000       40.59903 37.06857 11.52507 25.38472 10.35393 11.68386       15.49293 
1 1 1 -8  33 24 o 51.92759 6.797851 144.7809       33.72337 117.3000       49.65986 168.3000       45.94102 43.17974 11.53191 54.41241 8.935645 -11.23267      14.58872 
1 1 1 -8  33 25 o 36.88877 8.846028 78.74834       31.52810 103.0000       47.85598 60.15000       41.90854 40.28345 11.54354 31.63546 11.02616 8.647991       15.96338 
1 1 1 -8  33 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  33 27 o 29.57813 11.36060 49.48000       46.20967 49.48000       46.20967 0.000000       0.000000 29.57813 11.36060 ?        ?        ?              ?        
1 1 1 -8  33 28 o 32.81872 9.532785 64.73512       32.43026 45.15000       45.08682 85.73000       46.68135 28.60356 11.15726 36.31046 11.61971 -7.706905      16.10908 
1 1 1 -8  33 29 o 36.47654 11.13492 85.37000       43.39571 0.000000       0.000000 85.37000       43.39571 ?        ?        36.47654 11.13492 ?              ?        
1 1 1 -8  33 30 o 37.54253 8.785988 82.95750       31.71128 94.43000       47.48174 73.72000       42.60639 37.73991 11.67071 33.85419 11.12207 3.885719       16.12160 
1 1 1 -8  33 31 o 24.09530 9.191901 29.73956       30.11455 -47.68000      44.39777 95.71000       40.98364 17.71515 8.545933 38.87875 10.51718 -21.16360      13.55153 
1 1 1 -8  33 32 o 21.85895 8.864567 19.68606       29.55699 10.70000       45.33427 26.33000       38.98119 23.21389 10.23405 24.43592 10.07577 -1.222031      14.36165 
1 1 1 -8  33 33 o 37.38026 8.806453 83.70370       31.68845 65.44000       48.15781 97.65000       42.08254 31.43170 11.70307 38.71562 10.73243 -7.283918      15.87914 
1 1 1 -8  33 34 o 13.12373 6.431397 -45.77451      27.98079 -59.41000      42.37161 -35.23000      37.26085 16.27537 7.962957 16.69387 7.994780 -0.4185047     11.28385 
1 1 1 -8  33 35 o 15.63416 7.346261 -20.42609      28.67006 13.69000       43.93903 -45.72000      37.83370 23.16662 10.14867 16.04099 7.774592 7.125631       12.78436 
1 1 1 -8  33 36 o 48.24222 7.467452 131.9490       34.12366 73.64000       50.37289 181.4000       46.38917 32.50245 11.99366 55.22017 8.883770 -22.71772      14.92545 
1 1 1 -8  33 37 o 18.55490 8.324993 -2.111730      31.36899 -35.63000      45.71247 27.72000       43.12540 18.62147 8.900945 24.83195 10.44551 -6.210482      13.72354 
1 1 1 -8  33 38 o 25.48815 9.446401 37.63458       31.30846 31.79000       46.17006 42.61000       42.59895 25.65308 10.80042 27.03580 10.75237 -1.382727      15.24016 
1 1 1 -8  33 39 o 22.17257 9.739394 11.33000       40.71261 0.000000       0.000000 11.33000       40.71261 ?        ?        22.17257 9.739394 ?              ?        
1 1 1 -8  33 40 o 18.20830 8.176597 -2.042151      30.33339 4.807000       45.60573 -7.476000      40.62140 22.11736 9.970819 19.89792 9.138894 2.219440       13.52541 
1 1 1 -8  33 41 o 31.39712 9.483535 62.75461       31.59231 82.91000       46.28944 45.18000       43.22441 34.10921 11.59995 27.27178 10.83596 6.837425       15.87378 
1 1 1 -8  33 42 o 19.62361 8.373453 10.86014       28.38462 18.53000       39.91960 3.017000       40.36799 22.77261 9.826775 20.87674 9.398856 1.895876       13.59794 
1 1 1 -8  33 43 o 17.17494 7.776546 -4.212875      28.09860 -12.42000      38.57875 5.060000       41.00717 18.74211 8.712403 21.09332 9.486660 -2.351206      12.88032 
1 1 1 -8  33 44 o 22.64976 8.937378 27.59450       29.21598 6.234000       40.50060 50.77000       42.18620 20.97048 9.429946 27.55803 10.77993 -6.587543      14.32239 
1 1 1 -8  33 45 o 19.94160 8.503263 13.57547       29.23564 26.59000       41.14099 0.2990000      41.55295 23.54133 10.06400 20.37727 9.315577 3.164053       13.71365 
1 1 1 -8  34 1  o 92.01775 3.365844 420.0754       30.26491 476.3000       70.13046 407.2079       33.54984 95.46159 7.567233 90.42842 3.798811 5.033173       8.467230 
1 1 1 -8  34 2  f 23.32245 7.113108 28.41614       17.71408 84.32000       48.13873 19.66068       19.05080 38.21576 11.73941 20.69440 7.413682 17.52135       13.88440 
1 1 1 -8  34 3  o 40.56532 6.765486 86.48627       25.91778 39.92000       49.06749 104.5059       30.52326 29.91234 11.64747 44.46179 7.264146 -14.54945      13.72703 
1 1 1 -8  34 4  o 23.17442 8.447842 24.66687       24.87137 54.31000       47.47514 13.45379       29.19892 32.23198 11.68298 21.65001 8.799340 10.58197       14.62602 
1 1 1 -8  34 5  o 38.88792 4.881392 77.06160       18.17248 107.4000       49.31785 72.29524       19.54793 42.97984 11.49824 37.45245 5.495698 5.527397       12.74411 
1 1 1 -8  34 6  o 52.72618 4.296309 139.7541       21.98116 238.7000       53.54424 119.6989       24.10611 66.85026 8.365463 48.48256 5.158792 18.36770       9.828230 
1 1 1 -8  34 7  o 93.68238 3.737507 437.1153       34.20374 469.8000       69.88026 426.8179       39.22337 94.61816 7.609368 92.28520 4.354449 2.332954       8.767195 
1 1 1 -8  34 8  o 19.26682 6.610010 17.87209       15.03702 -24.92000      46.62013 22.84086       15.88606 21.03931 9.709103 21.15099 6.779490 -0.1116753     11.84180 
1 1 1 -8  34 9  o 54.13680 3.778980 146.6037       19.89930 164.0000       52.10203 143.6327       21.53158 53.92818 10.24483 53.46553 4.146692 0.4626465      11.05222 
1 1 1 -8  34 10 o 18.94849 6.489709 17.34995       14.49308 -41.02000      45.54951 23.92501       15.28758 19.27948 9.120063 21.44983 6.620332 -2.170347      11.26962 
1 1 1 -8  34 11 o 48.12462 4.619675 117.4305       21.49435 109.8000       49.66371 119.1892       23.84312 43.00280 11.55363 48.29821 5.121383 -5.295410      12.63783 
1 1 1 -8  34 12 o 16.40265 6.270362 10.20234       14.03258 61.56000       44.82864 4.623342       14.77512 33.00177 11.40931 15.07224 6.207823 17.92953       12.98882 
1 1 1 -8  34 13 o 22.56387 6.732146 26.97882       15.99305 -9.687000      45.35502 32.18522       17.09085 22.06557 9.945788 24.47688 6.859774 -2.411312      12.08202 
1 1 1 -8  34 14 o 71.33108 3.874235 255.0867       26.94870 0.000000       0.000000 255.0867       26.94870 ?        ?        71.33108 3.874235 ?              ?        
1 1 1 -8  34 15 o 57.23159 3.728757 164.2713       20.77472 166.5000       51.11026 163.8303       22.73779 53.86307 10.06415 57.01082 4.102020 -3.147755      10.86801 
1 1 1 -8  34 16 o 23.96748 6.866014 31.03934       16.93287 -3.232000      44.83466 36.74098       18.28724 22.45648 10.02290 25.95874 7.026715 -3.502262      12.24064 
1 1 1 -8  34 17 o 40.93492 6.914093 90.25101       26.71786 4.695000       46.58953 132.1759       32.61362 23.65384 10.40337 49.71470 6.886783 -26.06086      12.47629 
1 1 1 -8  34 18 o 35.94762 5.304366 67.42165       18.10414 122.8000       46.95354 57.75090       19.62134 45.16618 10.77227 32.79751 6.341384 12.36867       12.50020 
1 1 1 -8  34 19 o 52.76992 4.430410 141.7520       22.67315 128.6000       49.42652 145.2571       25.51620 45.88413 11.12216 53.16739 4.960269 -7.283253      12.17813 
1 1 1 -8  34 20 o 35.91320 5.091437 67.11617       17.39671 26.21000       44.62918 74.44547       18.89104 26.00821 10.75805 37.78700 5.249023 -11.77879      11.97029 
1 1 1 -8  34 21 o 25.85942 6.300803 36.37641       15.79986 33.29000       44.00528 36.83318       16.92866 26.92060 10.85250 25.92606 6.641773 0.9945393      12.72360 
1 1 1 -8  34 22 o 28.70624 9.474914 47.40460       30.90787 73.59000       44.15137 22.24000       43.28223 34.37457 11.32337 25.08297 10.50216 9.291603       15.44390 
1 1 1 -8  34 23 o 34.62009 9.057152 70.27980       31.03881 58.60000       44.66290 81.19000       43.16636 31.23892 11.33045 35.94667 11.12969 -4.707752      15.88235 
1 1 1 -8  34 24 o 39.52283 8.493295 89.50946       31.87806 82.72000       45.96758 95.80000       44.24643 35.98684 11.53201 39.01374 11.07366 -3.026901      15.98791 
1 1 1 -8  34 25 o 25.19505 10.63212 22.70000       44.90844 22.70000       44.90844 0.000000       0.000000 25.19505 10.63212 ?        ?        ?              ?        
1 1 1 -8  34 26 o 31.31237 9.545341 58.93729       31.90451 -10.42000      45.23375 127.6000       45.00669 21.18369 9.697492 45.62591 10.32006 -24.44222      14.16139 
1 1 1 -8  34 27 f 36.99606 11.07811 87.98000       43.24688 0.000000       0.000000 87.98000       43.24688 ?        ?        36.99606 11.07811 ?              ?        
1 1 1 -8  34 28 f 34.06902 11.03401 74.79000       42.00887 0.000000       0.000000 74.79000       42.00887 ?        ?        34.06902 11.03401 ?              ?        
1 1 1 -8  34 29 o 52.55045 10.61027 172.2000       52.69452 172.2000       52.69452 0.000000       0.000000 52.55045 10.61027 ?        ?        ?              ?        
1 1 1 -8  34 30 o 39.36156 8.747158 91.93452       32.82671 90.84000       44.99543 93.18000       47.99784 36.84811 11.35516 36.92380 11.77884 -0.7568359E-01 16.36095 
1 1 1 -8  34 31 o 25.04253 9.146295 35.38934       29.17435 21.19000       42.35345 48.21000       40.24480 23.96680 10.22760 28.19952 10.65658 -4.232719      14.77046 
1 1 1 -8  34 32 o 24.43294 9.148510 32.88436       29.51129 19.36000       43.64082 44.28000       40.05935 23.81905 10.27644 27.36958 10.56053 -3.550533      14.73533 
1 1 1 -8  34 33 o 21.92030 8.845609 21.15831       29.26707 -1.229000      43.79126 39.23000       39.34466 21.35324 9.684254 26.38319 10.38352 -5.029945      14.19867 
1 1 1 -8  34 34 o 23.18190 9.058628 27.05005       29.76385 60.75000       45.42347 1.694000       39.40092 30.41139 11.35752 20.85061 9.344485 9.560785       14.70757 
1 1 1 -8  34 35 o 24.47000 9.198838 33.39608       29.89969 35.89000       46.13517 31.59000       39.26086 26.23682 10.90287 24.95848 10.18119 1.278336       14.91741 
1 1 1 -8  34 36 f 25.44671 10.77292 30.56000       46.34999 30.56000       46.34999 0.000000       0.000000 25.44671 10.77292 ?        ?        ?              ?        
1 1 1 -8  34 37 o 24.17784 9.232733 32.11145       30.40251 22.46000       45.34998 39.99000       40.97361 24.23984 10.46695 26.42876 10.53398 -2.188923      14.84997 
1 1 1 -8  34 38 o 26.60047 10.73415 40.48000       43.09788 0.000000       0.000000 40.48000       43.09788 ?        ?        26.60047 10.73415 ?              ?        
1 1 1 -8  34 39 o 27.99808 9.595304 49.37230       31.68435 -0.5571000     46.01711 94.38000       43.69025 21.54303 9.831236 36.87276 11.15572 -15.32973      14.86954 
1 1 1 -8  34 40 o 29.53728 9.390059 55.27887       30.52517 55.81000       43.86131 54.78000       42.50868 29.04934 11.09044 28.87504 10.94305 0.1743011      15.58038 
1 1 1 -8  34 41 o 40.39509 8.159492 97.53450       31.15045 75.52000       42.93588 122.0000       45.26296 32.62174 11.17013 42.27645 10.87602 -9.654716      15.59037 
1 1 1 -8  34 42 o 16.26371 7.509387 -10.57374      27.94348 -22.79000      38.90069 2.450000       40.16576 17.77221 8.413331 20.55349 9.302823 -2.781286      12.54299 
1 1 1 -8  34 43 o 17.35622 7.821032 -1.573059      28.02497 -3.843000      38.57168 0.9652000      40.78770 19.39764 8.907729 20.31850 9.266030 -0.9208546     12.85329 
1 1 1 -8  34 44 o 20.04453 8.536366 14.67912       29.39833 28.32000       39.92798 -1.471000      43.44543 23.49632 9.975183 20.36826 9.389842 3.128056       13.69940 
1 1 1 -8  35 1  o 62.03601 3.834347 192.6776       23.16934 249.2000       56.81164 181.4010       25.37552 67.61153 8.792471 59.99266 4.350827 7.618874       9.810059 
1 1 1 -8  35 2  o 44.46859 4.552536 100.3685       19.53647 209.9000       52.43928 82.71576       21.05200 61.89413 8.912226 39.98244 5.526854 21.91169       10.48684 
1 1 1 -8  35 3  o 53.96107 3.990332 146.2609       20.92725 119.7000       52.17659 151.3529       22.84533 44.67709 11.76939 54.78750 4.294293 -10.11042      12.52835 
1 1 1 -8  35 4  o 70.23497 4.584684 249.1927       31.34647 257.1000       57.97581 245.9263       37.26279 68.58720 8.841136 69.27946 5.541118 -0.6922531     10.43406 
1 1 1 -8  35 5  f 29.30183 8.463059 47.44085       25.62682 76.90000       48.30662 35.90288       30.23161 36.04990 11.84269 26.44304 9.353193 9.606867       15.09077 
1 1 1 -8  35 6  o 23.18868 6.794742 28.64537       16.41271 43.60000       47.12167 26.58065       17.50910 29.74874 11.46021 22.52144 7.105729 7.227293       13.48436 
1 1 1 -8  35 7  o 54.93926 4.259185 152.3199       22.72546 177.9000       53.35933 146.6519       25.11731 55.85552 10.13278 53.67023 4.832872 2.185287       11.22631 
1 1 1 -8  35 8  o 35.46074 5.664367 65.73550       18.99978 21.49000       48.03662 73.94102       20.68669 26.37245 11.05448 37.59346 5.808806 -11.22101      12.48774 
1 1 1 -8  35 9  o 49.01814 4.576614 122.1571       21.70493 152.0000       52.57301 116.0253       23.83068 50.81496 10.89677 47.50198 5.210720 3.312977       12.07854 
1 1 1 -8  35 10 o 56.54906 4.348631 161.8111       23.88571 160.0000       53.13556 162.2697       26.73969 52.20361 10.75668 56.38675 4.893162 -4.183140      11.81732 
1 1 1 -8  35 11 o 73.44985 3.538361 269.7513       25.36413 186.4000       56.16455 291.1055       28.42815 56.51019 10.54148 76.17327 3.825003 -19.66309      11.21398 
1 1 1 -8  35 12 o 52.93187 4.321443 142.0803       22.19521 0.000000       0.000000 142.0803       22.19521 ?        ?        52.93187 4.321443 ?              ?        
1 1 1 -8  35 13 o 55.39047 4.359133 155.7576       23.44390 0.000000       0.000000 155.7576       23.44390 ?        ?        55.39047 4.359133 ?              ?        
1 1 1 -8  35 14 o 36.51876 5.562238 69.97536       19.25550 62.21000       46.56276 71.57730       21.14858 32.41929 11.59311 36.70395 6.100639 -4.284660      13.10030 
1 1 1 -8  35 15 o 39.31136 4.869599 79.73120       18.33744 68.98000       47.80085 81.58643       19.85666 33.68465 11.77345 39.61216 5.250362 -5.927509      12.89110 
1 1 1 -8  35 16 o 43.74185 4.484158 97.84679       18.92776 80.44000       47.89209 101.0690       20.60528 35.82354 11.79295 44.31480 4.828320 -8.491257      12.74309 
1 1 1 -8  35 17 o 20.94633 8.084644 18.79136       23.48289 19.53000       43.04109 18.47830       28.02085 24.72649 10.42016 21.79771 8.703566 2.928780       13.57689 
1 1 1 -8  35 18 o 19.88605 7.913069 14.77034       23.08368 20.33000       42.59605 12.45872       27.46652 24.69454 10.38407 20.44411 8.446491 4.250423       13.38552 
1 1 1 -8  35 19 o 67.20338 3.932413 228.1814       25.75459 223.5000       53.24481 229.6113       29.42598 62.68414 8.930120 67.08781 4.507217 -4.403671      10.00310 
1 1 1 -8  35 20 o 43.03246 4.367064 94.81767       18.14021 92.17000       44.85057 95.33551       19.83498 38.15332 11.24644 42.95822 4.799036 -4.804905      12.22756 
1 1 1 -8  35 21 o 36.56201 4.689752 69.19449       16.39764 18.83000       42.76706 77.87457       17.75453 24.37375 10.33472 38.77872 4.778396 -14.40497      11.38593 
1 1 1 -8  35 22 o 26.86965 9.456838 40.57464       30.87566 95.05000       41.07898 -30.16000      46.80968 39.19298 10.49788 19.80894 9.332417 19.38404       14.04633 
1 1 1 -8  35 23 o 23.61459 9.120347 26.78542       29.89886 45.41000       40.94151 5.502000       43.76645 28.36036 10.74140 22.67352 10.02305 5.686838       14.69146 
1 1 1 -8  35 24 o 23.07492 10.07350 10.57000       42.96255 10.57000       42.96255 0.000000       0.000000 23.07492 10.07350 ?        ?        ?              ?        
1 1 1 -8  35 25 o 43.36813 7.859176 106.4836       32.13404 71.49000       46.52691 138.4000       44.43410 33.13896 11.61315 47.86628 9.813559 -14.72732      15.20431 
1 1 1 -8  35 26 o 30.85471 10.91918 59.68000       41.20661 0.000000       0.000000 59.68000       41.20661 ?        ?        30.85471 10.91918 ?              ?        
1 1 1 -8  35 27 o 39.67367 8.569678 92.39763       32.30499 58.48000       48.93378 118.6000       43.00969 30.49393 11.69618 43.57053 10.25622 -13.07660      15.55605 
1 1 1 -8  35 28 o 20.76919 8.704556 13.80413       29.77806 10.06000       44.87478 16.75000       39.80468 22.98881 10.15640 23.03708 9.874933 -0.4827118E-01 14.16569 
1 1 1 -8  35 29 o 35.78092 8.961742 77.75264       31.31600 53.71000       46.54342 97.64000       42.33073 29.26346 11.35818 38.51103 10.79687 -9.247574      15.67101 
1 1 1 -8  35 30 o 22.45485 9.727634 14.26000       39.42368 0.000000       0.000000 14.26000       39.42368 ?        ?        22.45485 9.727634 ?              ?        
1 1 1 -8  35 31 o 20.13214 8.630424 10.12062       30.40854 22.97000       44.25316 -1.374000      41.85531 24.29732 10.41357 20.93183 9.483027 3.365492       14.08440 
1 1 1 -8  35 32 o 24.21143 10.42822 21.68000       44.79364 21.68000       44.79364 0.000000       0.000000 24.21143 10.42822 ?        ?        ?              ?        
1 1 1 -8  35 33 o 25.44304 9.330616 37.79145       30.40942 -23.68000      46.08440 85.20000       40.47114 19.56752 9.231267 35.66388 10.72529 -16.09635      14.15091 
1 1 1 -8  35 34 o 18.18030 8.124077 -1.001612      29.54941 26.70000       45.00691 -21.99000      39.17565 24.75221 10.55234 18.19572 8.561598 6.556488       13.58871 
1 1 1 -8  35 35 o 35.40014 11.87236 90.13000       48.48658 90.13000       48.48658 0.000000       0.000000 35.40014 11.87236 ?        ?        ?              ?        
1 1 1 -8  35 36 o 14.61410 7.005123 -29.90325      28.75041 -37.24000      42.40220 -23.66000      39.11489 17.65106 8.473043 17.99797 8.495009 -0.3469105     11.99823 
1 1 1 -8  35 37 o 32.79520 11.33498 75.68000       44.24533 0.000000       0.000000 75.68000       44.24533 ?        ?        32.79520 11.33498 ?              ?        
1 1 1 -8  35 38 f 33.10408 9.294916 69.54041       31.34785 61.35000       44.92883 77.31000       43.75941 29.93205 11.27101 33.09420 11.27808 -3.162148      15.94461 
1 1 1 -8  35 39 o 24.00934 9.079901 32.87949       29.22971 6.108000       40.56861 61.78000       42.15088 21.21103 9.495781 29.99318 10.98753 -8.782152      14.52225 
1 1 1 -8  35 40 o 17.89082 7.980735 0.6175071      28.38484 59.72000       39.39231 -63.21000      40.93667 29.52294 10.65010 15.40586 7.594841 14.11707       13.08076 
1 1 1 -8  35 41 o 19.81539 9.122922 -4.452000      40.81953 0.000000       0.000000 -4.452000      40.81953 ?        ?        19.81539 9.122922 ?              ?        
1 1 1 -8  35 42 o 37.80935 8.656462 89.76066       31.34413 43.82000       42.79974 142.9000       46.03101 26.13147 10.64123 45.68770 10.51181 -19.55623      14.95774 
1 1 1 -8  36 1  o 23.55796 7.146776 29.88052       17.91428 93.68000       48.95422 20.01606       19.24944 38.86640 11.81903 20.56293 7.441222 18.30347       13.96644 
1 1 1 -8  36 2  o 45.21185 4.615484 104.4052       20.13943 93.68000       50.54453 106.4293       21.95774 38.72339 12.05218 45.48425 5.015125 -6.760860      13.05398 
1 1 1 -8  36 3  o 37.00850 5.236853 71.16911       18.44110 113.6000       49.89619 64.45626       19.84632 42.90558 11.60371 34.86637 6.033565 8.039207       13.07860 
1 1 1 -8  36 4  o 26.87410 6.559270 39.19602       17.10042 49.15000       47.15525 37.68878       18.34949 30.22004 11.50852 26.24886 7.009727 3.971180       13.47525 
1 1 1 -8  36 5  o 19.18220 7.989189 8.645779       24.85163 34.10000       44.93606 -2.570051      29.82846 27.45513 11.00177 18.71369 8.273466 8.741442       13.76550 
1 1 1 -8  36 6  o 39.52831 7.281605 85.21702       27.13576 87.33000       48.70061 84.26564       32.67868 37.37329 11.85816 38.40933 8.870932 -1.036045      14.80910 
1 1 1 -8  36 7  o 15.74369 6.401666 6.601605       15.46257 -14.56000      45.52010 9.361878       16.44012 21.24949 9.727810 16.81329 6.682009 4.436193       11.80167 
1 1 1 -8  36 8  o 18.52495 7.078898 14.12130       17.88020 45.52000       46.03139 8.542000       19.40387 29.35097 11.32162 17.53376 7.155607 11.81721       13.39335 
1 1 1 -8  36 9  o 25.04696 6.846195 34.31243       17.26075 41.66000       46.65580 33.14730       18.57896 28.72147 11.30614 24.60840 7.234292 4.113070       13.42251 
1 1 1 -8  36 10 o 33.95583 5.527971 60.68282       17.74182 13.08000       47.77202 68.29901       19.10848 24.76056 10.71736 36.03419 5.599292 -11.27363      12.09189 
1 1 1 -8  36 11 f 44.66621 4.993913 103.0406       21.46042 0.000000       0.000000 103.0406       21.46042 ?        ?        44.66621 4.993913 ?              ?        
1 1 1 -8  36 12 o 26.88099 6.735379 39.63010       17.68391 -0.1648000     47.57069 46.01117       19.04902 23.07728 10.31043 28.94942 6.833035 -5.872141      12.36913 
1 1 1 -8  36 13 o 22.84744 7.051044 28.26896       17.34195 2.829000       45.61034 32.56829       18.75016 22.98420 10.19257 24.34684 7.295347 -1.362642      12.53437 
1 1 1 -8  36 14 o 41.55567 4.829393 89.23103       19.27847 55.60000       48.11926 95.66135       21.04094 30.87857 11.65624 42.91293 5.109452 -12.03436      12.72692 
1 1 1 -8  36 15 f 44.46481 6.436032 105.9594       27.19808 153.1000       50.59247 86.79771       32.25558 50.24166 10.62038 38.82000 8.704130 11.42167       13.73151 
1 1 1 -8  36 16 o 46.30580 4.326605 109.5717       19.38348 90.47000       49.44101 113.0410       21.07031 37.30859 11.96020 46.88716 4.652330 -9.578571      12.83318 
1 1 1 -8  36 17 o 55.20977 3.805494 154.1209       20.43940 156.2000       49.05215 153.6841       22.48436 50.99575 10.18366 54.93402 4.213675 -3.938267      11.02098 
1 1 1 -8  36 18 o 50.57830 5.334843 133.5058       26.01404 134.6000       46.42029 133.0049       31.40955 47.04510 10.36121 49.67856 6.624260 -2.633453      12.29778 
1 1 1 -8  36 19 o 16.79690 6.942286 7.107084       18.56436 -26.89000      38.65263 17.30083       21.16534 18.09287 8.510418 19.95969 7.682829 -1.866819      11.46530 
1 1 1 -8  36 20 o 27.53666 6.323558 41.57492       16.68426 35.59000       40.63605 42.78839       18.29764 26.53940 10.51886 27.75646 6.791319 -1.217058      12.52072 
1 1 1 -8  36 21 f 21.79846 6.483842 25.95612       14.85287 11.71000       40.97246 28.11148       15.93689 22.83933 9.905437 22.60574 6.714387 0.2335968      11.96665 
1 1 1 -8  36 22 f 36.17120 11.10686 84.75000       43.09622 84.75000       43.09622 0.000000       0.000000 36.17120 11.10686 ?        ?        ?              ?        
1 1 1 -8  36 23 f 44.45576 7.762812 111.8637       32.55104 86.10000       45.57187 138.7000       46.51075 35.99814 11.47662 47.25243 10.34357 -11.25430      15.44999 
1 1 1 -8  36 24 o 23.21312 9.065826 25.95078       29.79774 -48.69000      44.22076 88.03000       40.32843 17.57231 8.489797 37.11219 10.58465 -19.53988      13.56877 
1 1 1 -8  36 25 o 48.54153 9.868744 144.6000       45.29062 0.000000       0.000000 144.6000       45.29062 ?        ?        48.54153 9.868744 ?              ?        
1 1 1 -8  36 26 o 30.14822 9.338861 55.96243       30.38836 61.22000       45.35620 51.68000       40.93442 30.63538 11.36689 28.86048 10.78102 1.774897       15.66642 
1 1 1 -8  36 27 o 31.02947 9.354729 59.79397       30.76083 59.94000       46.46130 59.68000       41.04519 30.25872 11.44663 30.30911 10.87913 -0.5039406E-01 15.79180 
1 1 1 -8  36 28 o 21.02068 8.735412 16.29942       29.61603 76.02000       45.21935 -28.56000      39.19125 33.20948 11.45994 17.67728 8.390675 15.53220       14.20330 
1 1 1 -8  36 29 o 26.54652 9.351231 42.35487       30.19472 23.39000       45.72475 57.02000       40.20865 24.47803 10.53948 29.64938 10.75109 -5.171354      15.05545 
1 1 1 -8  36 30 o 25.65417 9.346529 38.45415       30.43837 56.24000       46.04594 24.65000       40.56570 29.47626 11.33556 24.03819 10.12230 5.438072       15.19724 
1 1 1 -8  36 31 o 36.15762 9.023786 80.62567       31.83354 40.35000       47.17419 114.3000       43.13528 26.83499 11.07648 41.69417 10.55979 -14.85918      15.30351 
1 1 1 -8  36 32 o 27.68720 10.65753 47.51000       40.72894 0.000000       0.000000 47.51000       40.72894 ?        ?        27.68720 10.65753 ?              ?        
1 1 1 -8  36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  36 34 o 36.18127 11.73561 94.05000       47.51063 94.05000       47.51063 0.000000       0.000000 36.18127 11.73561 ?        ?        ?              ?        
1 1 1 -8  36 35 o 22.88772 9.934633 17.55000       41.28420 0.000000       0.000000 17.55000       41.28420 ?        ?        22.88772 9.934633 ?              ?        
1 1 1 -8  36 36 o 18.32587 8.192006 0.4713627E-01  30.07370 -9.429000      44.42691 8.062000       40.85814 20.29580 9.405283 21.53286 9.592141 -1.237062      13.43386 
1 1 1 -8  36 37 o 19.53738 8.362166 10.42642       28.46439 19.35000       39.98830 1.261000       40.52656 22.84826 9.847149 20.66441 9.349603 2.183857       13.57871 
1 1 1 -8  36 38 o 25.25554 9.108583 38.90600       28.81217 30.07000       40.04450 48.39000       41.48689 24.24248 10.12248 27.32929 10.69028 -3.086809      14.72232 
1 1 1 -8  36 39 o 19.16274 8.253900 9.836155       28.06314 16.40000       38.90435 2.716000       40.51947 21.98908 9.592946 20.56116 9.321222 1.427917       13.37572 
1 1 1 -8  36 40 o 19.41086 8.370210 11.06037       28.92272 6.938000       39.95193 15.60000       41.92517 20.77730 9.352519 22.09700 9.787023 -1.319700      13.53719 
1 1 1 -8  36 41 o 25.73386 9.273017 42.94899       29.85404 57.34000       41.63514 27.72000       42.83020 28.22050 10.79761 23.59087 10.17928 4.629631       14.83934 
1 1 1 -8  37 1  o 25.75774 6.950992 36.53445       17.92809 24.34000       44.29509 38.92345       19.60573 25.61250 10.66658 26.48631 7.319098 -0.8738098     12.93620 
1 1 1 -8  37 2  o 95.91742 3.397913 460.2489       31.85146 425.8000       67.14413 470.2520       36.18156 88.22432 7.857361 96.67235 3.831243 -8.448029      8.741656 
1 1 1 -8  37 3  o 37.72951 5.164928 74.17934       18.57426 69.55000       46.50983 75.05777       20.26003 33.56540 11.62044 37.73465 5.659548 -4.169250      12.92537 
1 1 1 -8  37 4  o 25.54077 6.816843 35.85291       17.35954 65.92000       44.55033 30.47038       18.84943 32.85371 11.37307 23.65157 7.359796 9.202141       13.54671 
1 1 1 -8  37 5  o 27.21730 6.615325 40.58448       17.44940 46.04000       44.81356 39.60952       18.94454 29.10181 11.18509 26.74100 7.114024 2.360811       13.25578 
1 1 1 -8  37 6  o 18.52207 8.314761 -6.008145      31.33861 -1.965000      43.06341 -10.56000      45.69229 21.88224 9.790777 21.50986 9.808566 0.3723736      13.85883 
1 1 1 -8  37 7  f 14.71161 6.458654 -1.806510      17.88206 -18.35000      43.59455 1.540122       19.60752 20.24918 9.360184 16.01891 6.899507 4.230267       11.62825 
1 1 1 -8  37 8  o 23.30139 6.904847 29.67894       16.86966 56.05000       45.67933 25.51427       18.15293 30.82640 11.41294 21.93569 7.262146 8.890703       13.52753 
1 1 1 -8  37 9  o 40.91022 5.999702 89.01224       23.31158 0.000000       0.000000 89.01224       23.31158 ?        ?        40.91022 5.999702 ?              ?        
1 1 1 -8  37 10 o 24.70105 7.363667 33.79694       19.14047 0.000000       0.000000 33.79694       19.14047 ?        ?        24.70105 7.363667 ?              ?        
1 1 1 -8  37 11 o 50.94036 4.197277 132.1647       20.74287 94.59000       48.63221 140.5205       22.93359 38.17527 11.81226 52.37661 4.517407 -14.20134      12.64660 
1 1 1 -8  37 12 o 57.03738 3.899510 164.7191       21.63991 133.6000       49.89208 171.9299       24.01658 46.12589 11.17047 58.09649 4.252793 -11.97061      11.95264 
1 1 1 -8  37 13 o 19.65873 7.005856 19.05903       16.98984 -13.83000      42.59547 25.28139       18.52744 20.34119 9.348298 21.83416 7.339109 -1.492970      11.88500 
1 1 1 -8  37 14 o 34.15960 5.540933 61.89800       17.89266 83.74000       44.26955 57.63327       19.56163 36.17199 11.28258 32.55268 6.367388 3.619312       12.95531 
1 1 1 -8  37 15 o 68.98475 4.562418 243.7777       30.63437 213.4000       52.75645 259.2312       37.62811 60.66449 9.170480 70.44720 5.500428 -9.782711      10.69357 
1 1 1 -8  37 16 o 59.61199 3.700901 179.5302       21.48820 187.7000       49.43291 177.6268       23.86046 56.72490 9.219268 59.05598 4.154208 -2.331085      10.11199 
1 1 1 -8  37 17 o 26.43947 6.497852 38.64685       16.69462 37.02000       41.72413 38.95694       18.21636 26.79173 10.64591 26.38772 6.955533 0.4040108      12.71672 
1 1 1 -8  37 18 o 29.04580 7.893374 48.59567       23.02262 2.235000       42.74291 67.54298       27.32518 21.93495 9.788473 34.08298 8.274769 -12.14804      12.81741 
1 1 1 -8  37 19 o 45.51556 5.290742 108.8711       23.13248 106.5000       46.59869 109.6465       26.64778 40.32245 11.33644 45.12666 6.196268 -4.804207      12.91931 
1 1 1 -8  37 20 o 36.89943 4.968600 71.44492       17.49004 57.13000       44.29346 74.08920       19.03703 30.23545 11.23021 37.39154 5.354000 -7.156092      12.44118 
1 1 1 -8  37 21 o 28.27894 6.121632 43.86689       16.45262 44.52000       43.26487 43.75648       17.78906 27.92896 10.91926 28.03013 6.594581 -0.1011715     12.75613 
1 1 1 -8  37 22 o 39.65493 8.227864 91.55519       30.88920 53.96000       44.15117 127.6000       43.23121 29.47584 11.15663 45.35392 10.00691 -15.87808      14.98695 
1 1 1 -8  37 23 o 22.28076 9.692821 12.19000       39.48172 0.000000       0.000000 12.19000       39.48172 ?        ?        22.28076 9.692821 ?              ?        
1 1 1 -8  37 24 o 23.67808 9.149385 29.35865       30.10042 -10.22000      44.96355 61.50000       40.51932 20.64177 9.528999 30.65228 10.82956 -10.01051      14.42502 
1 1 1 -8  37 25 o 44.69534 7.634825 114.3436       32.20308 104.0000       47.70956 123.0000       43.64539 38.66875 11.64857 43.78299 10.34883 -5.114246      15.58164 
1 1 1 -8  37 26 o 22.41918 8.925883 24.10207       29.38641 12.45000       44.58810 33.05000       39.07316 22.90746 10.12202 25.13605 10.19267 -2.228588      14.36475 
1 1 1 -8  37 27 o 48.32393 7.378397 132.6092       33.79574 117.9000       50.66567 144.4000       45.36176 40.75654 11.93706 47.81884 10.01290 -7.062298      15.58048 
1 1 1 -8  37 28 o 19.42693 8.382524 7.945067       29.04424 38.68000       44.09912 -15.60000      38.59791 26.44952 10.78997 18.68859 8.696675 7.760933       13.85841 
1 1 1 -8  37 29 o 33.59104 9.262723 70.90386       31.43841 59.44000       47.29446 79.98000       42.08190 29.75081 11.47588 34.08085 11.04405 -4.330038      15.92693 
1 1 1 -8  37 30 o 46.86429 7.527542 126.0291       33.36144 145.3000       50.49413 111.1000       44.44337 46.28217 11.25592 40.51764 10.94851 5.764526       15.70241 
1 1 1 -8  37 31 o 19.29343 8.408189 6.615602       29.82174 -33.56000      44.85978 38.43000       39.91975 18.42292 8.809164 25.92804 10.37643 -7.505112      13.61145 
1 1 1 -8  37 32 o 18.15270 8.635448 -28.79000      41.97077 -28.79000      41.97077 0.000000       0.000000 18.15270 8.635448 ?        ?        ?              ?        
1 1 1 -8  37 33 o 21.32067 8.813303 18.75481       29.92542 54.66000       44.24487 -11.52000      40.62796 28.78574 11.10076 19.39071 8.988742 9.395025       14.28371 
1 1 1 -8  37 34 o 21.38774 9.526924 7.991000       40.29825 0.000000       0.000000 7.991000       40.29825 ?        ?        21.38774 9.526924 ?              ?        
1 1 1 -8  37 35 o 26.01422 10.58920 39.32000       42.36180 0.000000       0.000000 39.32000       42.36180 ?        ?        26.01422 10.58920 ?              ?        
1 1 1 -8  37 36 o 20.68531 9.288706 4.946000       39.14343 4.946000       39.14343 0.000000       0.000000 20.68531 9.288706 ?        ?        ?              ?        
1 1 1 -8  37 37 o 31.30506 9.284780 63.82901       30.49203 123.8000       43.07460 3.592000       43.17003 42.81448 10.38594 21.09249 9.585429 21.72199       14.13323 
1 1 1 -8  37 38 o 15.02590 7.094967 -18.87621      27.33349 -0.9650000E-01 37.35070 -40.53000      40.10709 19.53115 8.891518 16.49575 7.997310 3.035395       11.95893 
1 1 1 -8  37 39 o 36.19872 8.760606 83.52323       30.70274 64.22000       42.16922 105.3000       44.78962 29.52461 10.95923 37.54725 11.28106 -8.022633      15.72791 
1 1 1 -8  38 1  o 38.62313 5.278608 78.23633       19.43435 60.26000       44.36609 82.50473       21.61887 31.39560 11.30548 39.43228 5.772030 -8.036680      12.69370 
1 1 1 -8  38 2  o 60.19903 3.835737 183.2695       22.48432 169.3000       48.99588 186.9961       25.30630 53.54090 9.706376 60.56428 4.296699 -7.023384      10.61487 
1 1 1 -8  38 3  o 26.83636 6.742375 39.85393       17.68623 65.44000       42.38208 34.45876       19.46179 32.43104 11.09805 24.86453 7.428290 7.566507       13.35464 
1 1 1 -8  38 4  o 18.97551 6.928681 17.03603       16.74062 32.46000       41.50711 14.03966       18.29457 26.19133 10.54649 18.46052 7.133010 7.730810       12.73217 
1 1 1 -8  38 5  o 18.27990 7.134582 13.25032       18.44500 -16.73000      42.01484 20.40797       20.52909 19.88766 9.191644 20.64843 7.649909 -0.7607613     11.95857 
1 1 1 -8  38 6  o 24.99636 7.293241 34.86812       18.94452 67.99000       42.27205 26.54388       21.19180 32.91547 11.08580 22.46361 7.840005 10.45186       13.57795 
1 1 1 -8  38 7  o 30.80899 9.236547 56.28577       30.05014 -1.248000      42.65056 113.0000       42.34570 21.68212 9.719279 43.02481 10.20948 -21.34269      14.09603 
1 1 1 -8  38 8  o 57.90377 4.842956 173.0355       27.19763 0.000000       0.000000 173.0355       27.19763 ?        ?        57.90377 4.842956 ?              ?        
1 1 1 -8  38 9  o 30.24141 6.995993 50.93348       20.29715 0.000000       0.000000 50.93348       20.29715 ?        ?        30.24141 6.995993 ?              ?        
1 1 1 -8  38 10 o 35.53266 5.636604 67.16755       18.95060 92.28000       44.95314 61.74014       20.89834 37.79930 11.28886 33.56279 6.596640 4.236504       13.07494 
1 1 1 -8  38 11 o 23.60762 6.746431 30.81496       16.36756 74.02000       42.62804 23.34394       17.72630 34.02210 11.12191 21.07264 7.178142 12.94946       13.23716 
1 1 1 -8  38 12 o 21.75854 7.075623 25.59339       17.26449 5.438000       41.11305 29.90849       19.02303 22.05432 9.733430 23.27423 7.414322 -1.219912      12.23568 
1 1 1 -8  38 13 o 50.65762 5.690674 135.8796       27.72986 128.0000       46.50462 140.2269       34.54250 45.08953 10.69888 50.37502 7.210810 -5.285484      12.90201 
1 1 1 -8  38 14 o 49.29045 4.173178 124.3087       19.94523 157.2000       46.33145 116.8267       22.09765 51.23011 9.591845 47.43031 4.826929 3.799805       10.73791 
1 1 1 -8  38 15 o 54.19733 4.018130 149.7259       21.16450 99.64000       47.07489 162.4148       23.69424 38.69610 11.55113 56.27762 4.334688 -17.58152      12.33767 
1 1 1 -8  38 16 o 39.45976 6.699733 85.71159       24.95281 36.92000       44.53299 108.0407       30.12624 26.77356 10.87241 44.00606 7.245986 -17.23250      13.06574 
1 1 1 -8  38 17 o 15.92819 6.584566 6.501256       16.70505 -38.83000      42.05756 14.99250       18.20249 17.72600 8.490335 18.54794 7.128599 -0.8219452     11.08615 
1 1 1 -8  38 18 o 39.28333 6.384866 84.28763       23.70857 97.18000       45.57454 79.50411       27.76065 38.14857 11.36023 37.16072 7.876911 0.9878464      13.82391 
1 1 1 -8  38 19 o 46.19408 6.274926 115.9489       27.63983 114.9000       47.09759 116.5000       34.13647 41.50831 11.29377 44.94182 8.055925 -3.433510      13.87253 
1 1 1 -8  38 20 o 47.72575 4.036085 116.7779       18.67809 105.5000       46.93985 118.8996       20.35931 39.33536 11.48112 47.96716 4.384675 -8.631794      12.28990 
1 1 1 -8  38 21 o 46.41126 3.811500 110.0748       17.16269 67.78000       45.68948 117.0232       18.51889 31.58498 11.45936 47.76281 3.997769 -16.17783      12.13668 
1 1 1 -8  38 22 o 29.08377 10.90444 54.21000       41.95615 0.000000       0.000000 54.21000       41.95615 ?        ?        29.08377 10.90444 ?              ?        
1 1 1 -8  38 23 o 22.95218 8.987323 26.83947       29.34701 -17.45000      42.10586 68.68000       40.92521 19.26625 9.004471 31.90836 10.90600 -12.64211      14.14289 
1 1 1 -8  38 24 o 38.97927 8.555173 91.37393       31.74388 68.03000       45.83062 112.9000       44.00996 31.39216 11.46391 41.13287 10.79645 -9.740713      15.74753 
1 1 1 -8  38 25 o 17.78740 7.983595 -2.530588      28.87836 -47.35000      43.03315 34.19000       38.95156 17.10024 8.288842 25.27669 10.20304 -8.176455      13.14561 
1 1 1 -8  38 26 o 29.01446 9.342835 52.83706       30.14596 70.72000       46.20244 39.58000       39.78038 31.80309 11.52563 26.18560 10.39824 5.617496       15.52300 
1 1 1 -8  38 27 o 46.46512 7.550213 124.2452       33.16163 112.1000       50.12288 133.7000       44.22429 39.32364 11.95952 45.53287 10.17877 -6.209229      15.70470 
1 1 1 -8  38 28 o 18.44407 8.155476 2.395269       28.99413 -12.89000      43.94348 14.18000       38.58493 19.94334 9.280166 22.02081 9.580891 -2.077465      13.33848 
1 1 1 -8  38 29 o 22.34921 8.958388 24.28365       29.80323 46.81000       44.56321 6.055000       40.08744 27.46896 10.97335 21.20784 9.470713 6.261124       14.49513 
1 1 1 -8  38 30 o 16.61475 7.686390 -12.24797      29.48500 11.44000       43.22575 -32.86000      40.32172 22.34277 9.914552 17.41688 8.334486 4.925888       12.95230 
1 1 1 -8  38 31 o 24.97001 10.58681 30.51000       44.87366 30.51000       44.87366 0.000000       0.000000 24.97001 10.58681 ?        ?        ?              ?        
1 1 1 -8  38 32 o 22.53237 8.981515 25.84628       29.78830 24.74000       42.75366 26.89000       41.52714 23.84007 10.22695 24.00948 10.18218 -0.1694107     14.43147 
1 1 1 -8  38 33 o 16.17056 7.850119 -44.26000      38.98315 0.000000       0.000000 -44.26000      38.98315 ?        ?        16.17056 7.850119 ?              ?        
1 1 1 -8  38 34 o 14.75991 6.999931 -21.85930      27.16257 -18.32000      37.42272 -25.80000      39.48777 17.84085 8.386255 17.64390 8.388476 0.1969471      11.86153 
1 1 1 -8  38 35 o 13.32006 6.484262 -36.85189      27.09950 -59.27000      37.53013 -12.43000      39.17150 14.72631 7.262144 18.70659 8.723775 -3.980281      11.35090 
1 1 1 -8  38 36 o 24.86976 9.184898 38.57593       29.55294 69.05000       41.58437 7.479000       42.00719 30.70229 10.95845 21.16240 9.552179 9.539886       14.53726 
1 1 1 -8  38 37 o 28.66117 11.06965 60.88000       44.04594 0.000000       0.000000 60.88000       44.04594 ?        ?        28.66117 11.06965 ?              ?        
1 1 1 -8  39 1  o 17.75957 6.926910 12.56610       17.37756 -12.59000      40.34221 18.29718       19.25556 19.79732 9.098104 19.75913 7.391597 0.3818893E-01  11.72225 
1 1 1 -8  39 2  o 33.73008 5.826840 61.12790       18.54243 22.10000       42.49089 70.30835       20.60821 24.49651 10.33990 36.11119 6.043710 -11.61468      11.97664 
1 1 1 -8  39 3  o 30.91343 6.273506 52.24972       18.33346 4.467000       42.02623 63.48017       20.37434 22.06744 9.785076 34.12104 6.333473 -12.05360      11.65593 
1 1 1 -8  39 4  o 13.60002 6.196644 -8.203470      18.18977 -14.41000      40.05377 -6.590874      20.41652 19.51931 9.004709 14.73891 6.655451 4.780395       11.19731 
1 1 1 -8  39 5  o 56.17492 6.288682 169.5568       33.98591 151.5000       48.00610 187.7000       48.12078 49.66808 10.21566 56.71236 8.966321 -7.044289      13.59245 
1 1 1 -8  39 6  o 22.91344 7.068567 29.09810       17.43034 12.82000       41.79805 32.52476       19.17740 23.01941 9.993998 24.07521 7.412120 -1.055805      12.44265 
1 1 1 -8  39 7  o 25.23295 7.285951 35.98244       18.99615 0.000000       0.000000 35.98244       18.99615 ?        ?        25.23295 7.285951 ?              ?        
1 1 1 -8  39 8  o 18.28153 7.835614 5.530806       25.05685 -8.391000      40.97866 13.84420       31.66644 20.30290 9.269932 21.27590 8.950307 -0.9729919     12.88564 
1 1 1 -8  39 9  o 21.80240 6.879819 26.02853       16.41295 93.84000       42.90673 14.40511       17.76400 38.03870 10.93979 18.31662 7.041563 19.72208       13.01010 
1 1 1 -8  39 10 o 11.27841 5.319237 -14.68673      15.28150 0.6534000      41.32375 -17.11684      16.44744 21.34938 9.568763 11.49197 5.449195 9.857409       11.01158 
1 1 1 -8  39 11 o 33.13947 5.814373 59.31209       18.17307 33.73000       43.00165 64.87457       20.05171 26.07277 10.64782 34.50264 6.163554 -8.429873      12.30306 
1 1 1 -8  39 12 o 12.21934 5.640451 -9.891109      15.74962 -13.45000      40.32042 -9.250337      17.10881 19.52767 9.017858 12.92769 5.935123 6.599979       10.79571 
1 1 1 -8  39 13 o 20.47193 7.049793 22.11330       17.10932 54.68000       41.70486 15.52306       18.76076 29.60181 10.91486 18.79556 7.233638 10.80626       13.09426 
1 1 1 -8  39 14 o 48.84431 4.376282 123.0003       20.70158 128.5000       46.41481 121.6346       23.12957 44.72595 10.73813 48.22247 4.971340 -3.496521      11.83308 
1 1 1 -8  39 15 o 64.53991 3.711640 211.4837       23.34882 156.8000       50.19598 226.5824       26.37599 49.52356 10.67018 66.57278 4.067085 -17.04923      11.41901 
1 1 1 -8  39 16 o 39.73267 6.549869 87.17779       24.58654 54.51000       45.41357 100.7231       29.24288 29.33092 11.26317 42.17502 7.350739 -12.84410      13.44962 
1 1 1 -8  39 17 o 45.19932 4.489731 106.1164       19.60131 56.72000       45.86664 117.1535       21.68085 29.58354 11.32956 47.35709 4.740861 -17.77354      12.28148 
1 1 1 -8  39 18 o 52.75488 5.743657 149.5156       29.18074 105.5000       48.07047 175.2000       36.72054 38.71874 11.69887 56.16923 6.818359 -17.45049      13.54081 
1 1 1 -8  39 19 o 23.53114 7.941984 31.62471       21.69573 10.36000       42.97282 38.89920       25.13422 22.39296 9.913805 25.62122 8.547124 -3.228258      13.08957 
1 1 1 -8  39 20 o 18.41660 6.984555 15.84473       17.32469 0.000000       0.000000 15.84473       17.32469 ?        ?        18.41660 6.984555 ?              ?        
1 1 1 -8  39 21 o 41.09538 11.22041 115.9000       46.39338 0.000000       0.000000 115.9000       46.39338 ?        ?        41.09538 11.22041 ?              ?        
1 1 1 -8  39 22 o 25.75758 9.335120 39.53402       30.30971 -24.64000      42.52476 105.8000       43.21232 18.67647 8.827998 39.66111 10.82895 -20.98464      13.97139 
1 1 1 -8  39 23 o 27.39933 9.340161 46.45320       30.01343 -21.64000      43.05878 110.8000       41.85750 19.03669 8.963062 41.10954 10.39700 -22.07285      13.72713 
1 1 1 -8  39 24 o 35.08997 8.857312 76.16061       30.42019 94.63000       45.16901 60.83000       41.15230 36.54991 11.39603 30.00770 10.87715 6.542213       15.75379 
1 1 1 -8  39 25 o 18.91466 8.255742 5.786121       28.84456 11.98000       43.15443 0.7843000      38.78003 22.42708 9.931530 20.34439 9.180902 2.082689       13.52495 
1 1 1 -8  39 26 o 39.49310 8.515635 94.48775       31.94913 53.57000       46.06966 132.4000       44.34544 28.51907 11.23232 45.00780 10.29060 -16.48874      15.23357 
1 1 1 -8  39 27 o 23.48532 9.069192 30.18292       29.56147 31.65000       43.94176 28.97000       39.95458 25.04411 10.53987 24.27057 10.12090 0.7735386      14.61237 
1 1 1 -8  39 28 o 43.20942 7.953649 110.0425       32.40043 115.6000       48.02574 105.4000       43.89468 40.24512 11.57388 39.02713 11.01326 1.217987       15.97644 
1 1 1 -8  39 29 o 28.50342 11.07271 54.26000       44.26264 54.26000       44.26264 0.000000       0.000000 28.50342 11.07271 ?        ?        ?              ?        
1 1 1 -8  39 30 f 19.43782 8.362712 10.01798       28.74422 17.87000       40.98201 2.415000       40.32685 22.63558 9.860840 20.63739 9.333010 1.998188       13.57723 
1 1 1 -8  39 31 o 32.02811 11.23613 73.74000       43.56278 0.000000       0.000000 73.74000       43.56278 ?        ?        32.02811 11.23613 ?              ?        
1 1 1 -8  39 32 o 14.78174 7.025868 -22.95144      27.66478 -41.56000      38.44925 -2.977000      39.83537 16.14186 7.826807 19.84473 9.090499 -3.702871      11.99567 
1 1 1 -8  39 33 o 25.75917 9.097605 41.83519       28.59330 43.16000       39.39310 40.36000       41.56861 26.08132 10.35051 25.68614 10.47685 0.3951874      14.72744 
1 1 1 -8  39 34 o 14.73842 7.001550 -21.61711      27.40098 -40.23000      38.14642 -1.776000      39.38492 16.02960 7.777893 19.67483 9.022465 -3.645231      11.91220 
1 1 1 -8  39 35 o 25.04954 9.142601 40.26633       29.14346 25.92000       40.30239 55.99000       42.19272 23.03335 9.905880 27.83865 10.81176 -4.805296      14.66358 
1 1 1 -8  39 36 o 20.56719 8.569162 19.39718       28.60599 3.470000       39.25628 37.43000       41.77066 19.98363 9.104482 24.65590 10.31982 -4.672268      13.76191 
1 1 1 -8  40 1  f 47.14659 4.616045 115.3199       21.02963 180.0000       47.82241 99.81389       23.41509 54.91127 9.224134 43.22383 5.671003 11.68744       10.82797 
1 1 1 -8  40 2  o 28.83186 6.727663 46.64172       18.63792 -13.55000      40.83469 62.48061       20.94707 19.59982 9.059676 33.55278 6.613291 -13.95296      11.21665 
1 1 1 -8  40 3  o 42.31145 6.121202 96.96335       24.61556 82.02000       44.15881 103.7000       29.64937 34.95721 11.31212 42.94268 7.315756 -7.985462      13.47161 
1 1 1 -8  40 4  o 29.00513 6.653279 47.07877       18.48685 75.29000       42.99525 40.68019       20.47630 33.64914 11.17764 26.58780 7.528608 7.061333       13.47663 
1 1 1 -8  40 5  o 50.29258 5.957220 135.8083       28.75726 0.000000       0.000000 135.8083       28.75726 ?        ?        50.29258 5.957220 ?              ?        
1 1 1 -8  40 6  o 13.79328 6.361450 -11.19155      19.97090 0.000000       0.000000 -11.19155      19.97090 ?        ?        13.79328 6.361450 ?              ?        
1 1 1 -8  40 7  o 16.50397 6.636066 9.279846       16.40788 46.53000       39.63029 1.573619       18.02537 27.91302 10.56890 15.25267 6.592612 12.66035       12.45649 
1 1 1 -8  40 8  o 19.11721 6.766382 18.59464       15.82388 109.9000       41.46322 3.029310       17.11962 41.61964 10.24732 15.22752 6.500441 26.39212       12.13521 
1 1 1 -8  40 9  o 28.63476 8.515326 49.05653       25.62047 54.76000       42.43058 45.78382       32.14129 29.39504 10.97717 27.50544 9.651262 1.889605       14.61660 
1 1 1 -8  40 10 o 34.37886 5.334531 63.16181       17.36978 39.08000       43.56971 67.71252       18.93998 26.66262 10.78075 35.44562 5.648376 -8.782997      12.17082 
1 1 1 -8  40 11 o 31.10415 6.307803 53.63720       18.54667 60.99000       44.07607 52.05518       20.44477 30.41380 11.21970 30.22197 7.042237 0.1918259      13.24669 
1 1 1 -8  40 12 o 58.84101 3.921954 177.0214       22.45962 112.7000       48.66583 194.4287       25.31698 40.21974 11.67626 61.46283 4.234040 -21.24309      12.42023 
1 1 1 -8  40 13 o 47.22815 4.538431 116.1151       20.72240 92.21000       46.38598 122.0755       23.16219 36.18363 11.58329 48.14281 4.987362 -11.95919      12.61136 
1 1 1 -8  40 14 o 12.55340 5.804457 -10.21737      16.78182 -21.42000      41.40791 -8.015682      18.35699 18.73483 8.811172 13.55474 6.194752 5.180087       10.77087 
1 1 1 -8  40 15 o 20.70262 7.148804 23.21488       17.59759 40.87000       42.87038 19.63722       19.29840 26.62458 10.71922 19.84508 7.404619 6.779503       13.02805 
1 1 1 -8  40 16 o 32.82851 6.729795 60.93479       20.89826 91.41000       45.82492 52.93228       23.48234 35.90150 11.51505 29.81640 7.914911 6.085100       13.97291 
1 1 1 -8  40 17 o 19.25682 7.088776 18.69286       17.57900 23.23000       43.15863 17.79042       19.24800 23.89207 10.26269 19.28016 7.350221 4.611910       12.62333 
1 1 1 -8  40 18 o 33.90697 7.055016 65.79010       22.65172 40.70000       45.67478 73.97385       26.08565 26.62770 10.93537 35.51482 7.724302 -8.887121      13.38832 
1 1 1 -8  40 19 o 67.91481 5.092811 243.2263       33.60885 0.000000       0.000000 243.2263       33.60885 ?        ?        67.91481 5.092811 ?              ?        
1 1 1 -8  40 20 o 19.46792 6.788704 20.10893       15.88756 27.03000       44.90371 19.11854       16.98630 24.58837 10.51295 19.29268 6.988928 5.295689       12.62407 
1 1 1 -8  40 21 o 22.42872 8.947053 25.05211       29.58259 16.53000       43.58751 32.33000       40.28017 22.98176 10.08666 24.82311 10.23953 -1.841352      14.37320 
1 1 1 -8  40 22 o 22.38420 8.925694 24.90117       29.42973 15.03000       43.95781 32.92000       39.61932 22.85388 10.07633 24.86744 10.19552 -2.013554      14.33461 
1 1 1 -8  40 23 o 20.29981 8.552961 14.37515       28.98861 -13.88000      42.58705 38.77000       39.57106 19.48428 9.089670 25.77419 10.32552 -6.289913      13.75640 
1 1 1 -8  40 24 o 19.31123 8.414402 7.349154       29.85417 -29.23000      44.26577 37.87000       40.43426 18.51613 8.825223 25.66350 10.38242 -7.147371      13.62641 
1 1 1 -8  40 25 o 57.00467 6.412326 179.9080       35.15950 210.3000       51.35809 153.1000       48.23483 58.21955 9.327035 48.08508 10.53959 10.13447       14.07396 
1 1 1 -8  40 26 o 19.26017 8.336624 8.469323       28.90573 -2.085000      40.59879 19.32000       41.16483 20.24291 9.236541 22.92024 9.934646 -2.677330      13.56506 
1 1 1 -8  40 27 o 23.09173 9.075590 28.88080       30.02097 32.91000       41.26426 24.35000       43.75750 24.76911 10.30363 23.79057 10.27727 0.9785404      14.55291 
1 1 1 -8  40 28 o 26.13965 10.46759 41.96000       40.65007 41.96000       40.65007 0.000000       0.000000 26.13965 10.46759 ?        ?        ?              ?        
1 1 1 -8  40 29 o 42.93179 7.758130 108.7400       31.40224 123.1000       44.12969 94.01000       44.69464 42.52771 10.63088 35.93567 11.35476 6.592037       15.55462 
1 1 1 -8  40 30 f 30.59956 11.17050 68.31000       43.50900 0.000000       0.000000 68.31000       43.50900 ?        ?        30.59956 11.17050 ?              ?        
1 1 1 -8  40 31 o 20.08843 8.427314 15.86705       27.95243 8.796000       38.21857 24.00000       40.98799 20.75946 9.260452 23.11891 9.966680 -2.359457      13.60480 
1 1 1 -8  40 32 o 16.51299 7.552330 -5.837712      27.35103 -18.66000      37.83432 8.199000       39.58548 17.65274 8.338930 20.76979 9.332651 -3.117056      12.51544 
1 1 1 -8  40 33 o 17.58497 7.889480 1.203263       28.16945 33.54000       39.36342 -32.74000      40.32938 24.00516 10.03063 16.93695 8.164132 7.068209       12.93316 
1 1 1 -8  40 34 o 31.76927 9.145514 67.66036       29.97273 36.59000       41.00673 103.3000       43.91861 24.44286 10.22744 36.77802 11.19683 -12.33516      15.16474 
1 1 1 -8  41 1  o 28.85394 7.346766 48.28317       20.80130 34.12000       39.22494 53.82464       24.53548 25.31081 10.23092 30.01299 8.145403 -4.702181      13.07744 
1 1 1 -8  41 2  o 29.83794 7.165493 51.23346       20.66364 49.99000       39.24622 51.71037       24.30539 28.17912 10.55030 29.40231 8.158576 -1.223194      13.33684 
1 1 1 -8  41 3  o 23.95975 7.039254 32.82925       17.59529 59.58000       39.38131 26.15728       19.66751 30.08654 10.67198 21.79317 7.555964 8.293375       13.07607 
1 1 1 -8  41 4  o 21.86860 7.532639 26.47182       19.53366 0.000000       0.000000 26.47182       19.53366 ?        ?        21.86860 7.532639 ?              ?        
1 1 1 -8  41 5  o 38.78928 5.853484 81.82183       21.53338 0.000000       0.000000 81.82183       21.53338 ?        ?        38.78928 5.853484 ?              ?        
1 1 1 -8  41 6  o 27.79110 6.653823 43.84228       17.86005 84.34000       43.81217 35.77117       19.55898 34.78106 11.26864 24.81030 7.454889 9.970762       13.51139 
1 1 1 -8  41 7  f 28.13932 6.553820 44.77774       17.71409 27.06000       43.09293 48.38038       19.43177 24.49148 10.37887 29.06464 6.928592 -4.573160      12.47903 
1 1 1 -8  41 8  o 14.16292 6.162666 0.5199170      15.96737 -35.24000      42.13547 6.516366       17.25427 17.72199 8.491022 15.95906 6.652653 1.762927       10.78681 
1 1 1 -8  41 9  o 30.67963 8.337215 56.96202       25.68481 96.73000       44.37004 36.91963       31.49908 37.32753 11.23104 25.19011 9.447540 12.13742       14.67625 
1 1 1 -8  41 10 f 13.11941 5.907407 -4.665731      15.95441 4.026000       40.26134 -6.284852      17.37700 21.03760 9.435755 13.42174 6.092377 7.615865       11.23168 
1 1 1 -8  41 11 o 33.87169 6.022093 63.23950       19.23431 43.92000       43.24786 68.00311       21.47509 26.96548 10.79736 34.81650 6.541616 -7.851025      12.62441 
1 1 1 -8  41 12 o 47.84285 5.076298 121.3618       23.40990 70.65000       46.66191 138.4189       27.06201 31.52810 11.55879 50.76490 5.535747 -19.23680      12.81601 
1 1 1 -8  41 13 o 54.13363 4.156705 151.2923       21.85682 130.5000       49.39785 156.3539       24.37240 43.21356 11.48354 54.72762 4.592036 -11.51406      12.36764 
1 1 1 -8  41 14 o 16.08738 6.695777 6.953163       17.43950 -22.03000      42.76049 12.73595       19.10022 18.86529 8.897584 17.93056 7.176930 0.9347382      11.43133 
1 1 1 -8  41 15 o 44.77219 7.474444 115.3558       31.60219 155.9000       49.30743 87.09000       41.16978 48.64806 10.65074 35.63757 10.83898 13.01049       15.19611 
1 1 1 -8  41 16 f 18.33485 7.053612 15.39320       17.83374 -28.42000      45.46267 23.36115       19.38767 18.88744 8.985691 20.83930 7.477346 -1.951862      11.68988 
1 1 1 -8  41 17 o 17.81522 7.168715 12.36974       19.16308 0.000000       0.000000 12.36974       19.16308 ?        ?        17.81522 7.168715 ?              ?        
1 1 1 -8  41 18 o 30.86340 8.239426 57.98720       25.35719 0.000000       0.000000 57.98720       25.35719 ?        ?        30.86340 8.239426 ?              ?        
1 1 1 -8  41 19 o 25.86788 8.012432 40.16508       22.36951 31.23000       43.99813 43.27986       25.97754 24.90117 10.51677 26.53886 8.682622 -1.637684      13.63783 
1 1 1 -8  41 20 o 33.04361 5.295990 59.00540       16.55097 34.60000       43.83441 63.06331       17.87406 25.31673 10.58228 34.02605 5.558404 -8.709322      11.95326 
1 1 1 -8  41 21 o 35.64562 8.825886 79.12468       30.62990 91.04000       44.32013 68.23000       42.37944 35.60409 11.31413 31.12854 11.06782 4.475552       15.82739 
1 1 1 -8  41 22 o 26.46597 9.232062 43.76202       29.38332 6.232000       41.18213 82.68000       41.93672 21.24264 9.534166 34.17131 11.02094 -12.92868      14.57263 
1 1 1 -8  41 23 o 29.38656 9.261959 55.39819       29.75497 24.12000       41.03729 90.07000       43.20621 23.50554 10.05007 35.53603 11.15543 -12.03048      15.01491 
1 1 1 -8  41 24 f 24.82870 9.151344 37.23019       29.31225 64.22000       41.30912 9.859000       41.59996 30.23061 10.90603 21.65158 9.659721 8.579035       14.56886 
1 1 1 -8  41 25 f 27.92417 9.282591 50.23347       29.65110 38.73000       40.87510 63.01000       43.07751 25.54988 10.40115 29.79708 11.07355 -4.247196      15.19235 
1 1 1 -8  41 26 o 24.81604 10.15196 34.89000       39.17263 34.89000       39.17263 0.000000       0.000000 24.81604 10.15196 ?        ?        ?              ?        
1 1 1 -8  41 27 o 19.96645 8.401587 14.74982       27.91390 16.72000       37.63268 12.34000       41.62025 21.82991 9.480223 21.83098 9.705707 -0.1064301E-02 13.56744 
1 1 1 -8  41 28 o 19.18255 8.884410 -7.457000      39.55916 0.000000       0.000000 -7.457000      39.55916 ?        ?        19.18255 8.884410 ?              ?        
1 1 1 -8  41 29 o 24.49627 9.137815 37.26131       29.38647 1.658000       41.16777 74.25000       41.96108 20.32210 9.283496 31.57823 11.03130 -11.25613      14.41780 
1 1 1 -8  41 30 o 14.22070 6.814222 -25.50468      27.15341 -44.71000      37.79908 -5.026000      39.03205 15.55320 7.590503 19.13809 8.850202 -3.584888      11.65941 
1 1 1 -8  41 31 o 16.57688 7.566926 -4.229953      27.28442 -6.746000      37.82591 -1.501000      39.39382 18.60991 8.642763 19.43285 8.952369 -0.8229408     12.44356 
1 1 1 -8  41 32 o 15.08916 7.116142 -16.49090      27.34362 -8.015000      38.12410 -25.47000      39.23945 18.46962 8.610963 17.14575 8.209341 1.323875       11.89714 
1 1 1 -8  42 1  o 28.02865 8.094090 47.48158       23.44267 -19.03000      40.78387 80.30000       28.64828 18.65620 8.764880 36.54932 8.208977 -17.89312      12.00876 
1 1 1 -8  42 2  o 17.24532 7.121827 9.519136       19.51552 0.000000       0.000000 9.519136       19.51552 ?        ?        17.24532 7.121827 ?              ?        
1 1 1 -8  42 3  o 46.02945 6.354380 117.3061       27.86665 0.000000       0.000000 117.3061       27.86665 ?        ?        46.02945 6.354380 ?              ?        
1 1 1 -8  42 4  o 15.15336 6.494156 3.231566       17.20838 -12.37000      39.66534 6.848875       19.09941 19.05067 8.848470 16.53893 6.953901 2.511744       11.25398 
1 1 1 -8  42 5  o 23.68549 7.036099 32.36412       17.49968 -0.5188000E-01 39.99296 40.04047       19.46172 20.41825 9.258037 26.14299 7.317751 -5.724741      11.80088 
1 1 1 -8  42 6  o 28.92800 6.432552 47.29046       17.74296 41.52000       41.18919 48.60519       19.66059 26.36567 10.54399 29.00093 7.005267 -2.635254      12.65897 
1 1 1 -8  42 7  o 20.99540 7.012858 24.52444       16.91970 -30.01000      38.57205 37.51784       18.82776 17.21169 8.213107 25.36261 7.231742 -8.150919      10.94318 
1 1 1 -8  42 8  o 28.37225 6.443103 45.52083       17.48390 19.03000       39.10288 52.14028       19.54664 22.70509 9.760930 30.21476 6.776593 -7.509674      11.88268 
1 1 1 -8  42 9  o 24.74704 6.769604 35.15006       16.86894 56.47000       38.90212 30.21291       18.72053 29.15381 10.57446 22.92258 7.360698 6.231232       12.88406 
1 1 1 -8  42 10 o 18.99608 7.830870 13.13183       23.53862 -28.60000      37.26917 40.82560       30.36037 17.01370 8.105954 25.88631 9.348245 -8.872614      12.37320 
1 1 1 -8  42 11 o 21.03920 6.943170 24.76519       16.59740 54.44000       37.96649 17.75424       18.45418 28.68323 10.44028 19.06783 7.213864 9.615398       12.69012 
1 1 1 -8  42 12 o 16.64035 7.028772 6.723009       19.65703 -21.89000      37.54257 17.52999       23.07249 17.61340 8.316226 19.80078 7.900577 -2.187384      11.47078 
1 1 1 -8  42 13 o 39.96873 8.159124 95.76045       30.83931 100.6000       43.39010 90.82000       43.84012 37.87654 11.03368 35.62672 11.24421 2.249828       15.75355 
1 1 1 -8  42 14 f 34.18342 6.664237 66.28927       21.49689 36.57000       41.02350 77.53896       25.23969 25.41950 10.39278 36.55018 7.310411 -11.13068      12.70638 
1 1 1 -8  42 15 o 18.60558 7.093024 16.55768       17.92450 43.65000       40.61393 10.00415       19.97513 26.53839 10.51679 17.42587 7.201646 9.112526       12.74623 
1 1 1 -8  42 16 o 43.21667 5.513583 101.0447       22.79297 0.000000       0.000000 101.0447       22.79297 ?        ?        43.21667 5.513583 ?              ?        
1 1 1 -8  42 17 o 21.69079 7.218050 26.74626       17.92739 99.85000       42.24860 10.69291       19.79818 37.88137 10.84331 17.52325 7.198336 20.35812       13.01512 
1 1 1 -8  42 18 o 37.80948 6.345102 79.96432       22.65150 106.7000       43.99206 70.31891       26.42343 38.96829 11.03538 34.12901 8.042430 4.839283       13.65505 
1 1 1 -8  42 19 o 26.74770 7.892729 43.22451       22.08015 7.391000       41.74205 57.14633       26.01819 21.40814 9.604372 30.36772 8.446685 -8.959578      12.79025 
1 1 1 -8  42 20 o 26.58117 9.215840 44.55293       29.25759 3.745000       41.40720 85.24000       41.34583 20.91937 9.459188 34.68915 10.91583 -13.76978      14.44408 
1 1 1 -8  42 21 o 40.66088 8.184720 99.95980       31.44652 64.95000       43.46860 138.4000       45.54845 30.09306 11.13482 45.31780 10.47768 -15.22474      15.28941 
1 1 1 -8  42 22 o 20.29931 8.494254 16.19617       28.28891 -10.44000      38.67348 46.85000       41.48773 18.80464 8.735202 26.83740 10.63122 -8.032761      13.75960 
1 1 1 -8  42 23 o 28.24977 9.222301 51.67417       29.31475 27.56000       39.74600 80.44000       43.41059 23.64578 9.991571 33.07864 11.23368 -9.432856      15.03419 
1 1 1 -8  42 24 o 24.70344 9.127419 37.31141       29.18970 40.44000       39.13842 33.39000       43.81772 25.62885 10.26836 24.79643 10.48497 0.8324165      14.67562 
1 1 1 -8  42 25 o 23.22429 9.802143 26.98000       38.18128 26.98000       38.18128 0.000000       0.000000 23.22429 9.802143 ?        ?        ?              ?        
1 1 1 -8  42 26 o 18.51772 8.082603 7.438989       27.64822 36.60000       37.26493 -28.27000      41.23708 24.62115 9.964870 17.59117 8.420758 7.029978       13.04637 
1 1 1 -8  42 27 o 23.65104 10.11123 29.55000       41.53047 0.000000       0.000000 29.55000       41.53047 ?        ?        23.65104 10.11123 ?              ?        
1 1 1 -8  42 28 o 17.17192 7.765191 -1.053020      27.90973 16.78000       37.87197 -22.25000      41.28976 21.38054 9.392418 17.90146 8.529779 3.479073       12.68758 
1 1 1 -8  42 29 o 22.44706 8.857404 29.41437       28.69548 32.87000       39.79150 25.67000       41.42059 23.74920 10.01429 22.85668 9.935828 0.8925209      14.10697 
1 1 1 -8  43 1  o 33.45779 6.580493 63.48444       20.78249 11.39000       40.47388 82.13789       24.21914 21.71589 9.617285 38.03519 6.752626 -16.31930      11.75118 
1 1 1 -8  43 2  o 30.11549 7.880717 54.68598       23.49522 0.000000       0.000000 54.68598       23.49522 ?        ?        30.11549 7.880717 ?              ?        
1 1 1 -8  43 3  o 20.04771 7.144328 21.64293       17.66800 -6.245000      39.35286 28.68339       19.77282 19.49049 8.967592 22.34763 7.581646 -2.857141      11.74304 
1 1 1 -8  43 4  o 32.01151 7.025529 59.33930       21.40819 0.000000       0.000000 59.33930       21.40819 ?        ?        32.01151 7.025529 ?              ?        
1 1 1 -8  43 5  o 16.49369 6.706300 9.506467       16.96822 15.43000       37.86554 8.018084       18.98065 21.84371 9.497639 16.70249 6.971191 5.141218       11.78145 
1 1 1 -8  43 6  o 42.89111 5.505340 99.51864       22.58074 55.42000       42.53482 116.8242       26.64555 28.58661 10.91957 46.07339 6.054770 -17.48678      12.48588 
1 1 1 -8  43 7  o 22.86153 7.181318 30.25762       17.90244 -43.67000      38.73725 50.33565       20.18766 16.12048 7.825693 29.37790 7.099939 -13.25743      10.56649 
1 1 1 -8  43 8  o 17.32552 6.806334 12.76917       16.87859 -18.20000      38.34351 20.21237       18.79779 18.09034 8.498900 19.75744 7.320154 -1.667101      11.21677 
1 1 1 -8  43 9  f 13.28856 5.963481 -3.723849      16.10639 23.47000       37.33323 -9.942823      17.85334 22.91378 9.682974 12.95616 5.989349 9.957621       11.38562 
1 1 1 -8  43 10 o 19.54106 7.007753 20.31086       17.02646 3.526000       38.82022 24.30881       18.94600 20.43489 9.206934 20.94956 7.404896 -0.5146732     11.81525 
1 1 1 -8  43 11 o 14.48060 6.753644 -13.86663      23.48584 24.12000       39.22833 -35.08948      29.32151 23.20705 9.871202 14.19329 6.870779 9.013760       12.02698 
1 1 1 -8  43 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -8  43 13 o 15.64843 6.886022 0.6840795      20.43604 20.54000       41.29091 -5.757626      23.51851 22.94120 9.946764 15.58276 7.078969 7.358433       12.20860 
1 1 1 -8  43 14 o 30.31390 7.362909 54.31568       21.62745 0.000000       0.000000 54.31568       21.62745 ?        ?        30.31390 7.362909 ?              ?        
1 1 1 -8  43 15 o 37.58647 8.256323 85.93802       29.54335 0.000000       0.000000 85.93802       29.54335 ?        ?        37.58647 8.256323 ?              ?        
1 1 1 -8  43 16 o 34.81281 5.969718 67.23779       19.61037 51.19000       43.96974 71.22252       21.91019 27.66657 10.94938 35.43655 6.558154 -7.769985      12.76316 
1 1 1 -8  43 17 o 16.13817 6.766006 7.040156       18.00109 -4.077000      41.50532 9.615775       19.97780 19.98065 9.199094 17.25031 7.172060 2.730349       11.66455 
1 1 1 -8  43 18 o 26.93321 7.788619 44.10397       21.69256 11.34000       42.57621 55.59110       25.21011 21.79950 9.745825 29.87683 8.316099 -8.077328      12.81166 
1 1 1 -8  43 19 o 30.81506 7.710336 57.37373       23.19742 105.9000       42.24210 36.42091       27.75736 38.79470 10.75215 24.43529 8.921896 14.35941       13.97172 
1 1 1 -8  43 20 o 24.91997 9.111001 38.39381       28.96086 54.78000       39.48771 19.32000       42.60316 28.20147 10.57773 22.75794 9.980757 5.443535       14.54317 
1 1 1 -8  43 21 o 32.72687 8.982991 69.14103       29.64534 56.30000       40.45120 84.04000       43.57222 28.34376 10.68990 33.54074 11.25470 -5.196974      15.52231 
1 1 1 -8  43 22 o 24.16064 8.996000 35.85900       28.45578 29.70000       38.47019 43.30000       42.28485 23.58451 9.889726 25.91974 10.56876 -2.335230      14.47430 
1 1 1 -8  43 23 f 17.75602 8.341726 -15.18000      36.93631 -15.18000      36.93631 0.000000       0.000000 17.75602 8.341726 ?        ?        ?              ?        
1 1 1 -8  43 24 o 26.46386 9.185802 46.32422       29.07107 41.07000       39.23532 52.72000       43.28823 25.23254 10.22036 27.17628 10.82891 -1.943743      14.89030 
1 1 1 -8  43 25 o 18.89841 8.847474 -9.644000      40.93614 0.000000       0.000000 -9.644000      40.93614 ?        ?        18.89841 8.847474 ?              ?        
1 1 1 -8  43 26 f 35.52763 8.926929 83.31535       31.00132 31.41000       41.82524 146.6000       46.18294 23.56003 10.11121 45.23008 10.61502 -21.67005      14.65998 
1 1 1 -8  43 27 o 38.08954 8.368685 92.46513       30.34704 95.95000       41.50006 88.46000       44.49018 35.37934 10.90566 33.04208 11.36861 2.337261       15.75369 
1 1 1 -8  44 1  o 14.52919 6.540540 -3.945801      19.54341 0.000000       0.000000 -3.945801      19.54341 ?        ?        14.52919 6.540540 ?              ?        
1 1 1 -8  44 2  o 22.75961 7.591295 30.23254       19.82714 10.01000       42.64804 35.80844       22.39438 21.75796 9.738700 24.40070 8.065581 -2.642744      12.64499 
1 1 1 -8  44 3  o 25.34074 7.468504 38.25780       19.78034 31.12000       40.67603 40.46852       22.63721 24.31798 10.18141 25.77339 8.072365 -1.455406      12.99323 
1 1 1 -8  44 4  o 10.80740 5.214142 -21.76718      16.53834 -18.00000      38.59553 -22.61447      18.30394 18.08467 8.505798 11.47426 5.523139 6.610410       10.14168 
1 1 1 -8  44 5  o 24.59960 7.187562 35.65829       18.38813 33.57000       42.01507 36.15306       20.45074 24.77192 10.35787 24.58988 7.668273 0.1820469      12.88751 
1 1 1 -8  44 6  o 19.77354 7.253462 20.67851       18.37915 -25.12000      40.10687 32.85258       20.67812 17.78206 8.454110 23.54414 7.748928 -5.762079      11.46812 
1 1 1 -8  44 7  o 28.95002 7.266928 49.56520       20.55842 0.000000       0.000000 49.56520       20.55842 ?        ?        28.95002 7.266928 ?              ?        
1 1 1 -8  44 8  o 26.54193 6.864399 41.07272       17.96587 35.86000       40.67662 42.33605       20.02494 25.01739 10.30170 26.64673 7.409718 -1.629337      12.68972 
1 1 1 -8  44 9  o 40.34457 5.651966 88.96764       21.70838 67.44000       43.78106 95.98582       24.99772 30.48910 11.19325 41.36569 6.378617 -10.87659      12.88315 
1 1 1 -8  44 10 o 53.41709 4.628967 150.1829       23.96441 117.9000       47.13691 161.4356       27.82932 40.24248 11.43206 54.86031 5.246322 -14.61783      12.57839 
1 1 1 -8  44 11 o 21.88319 8.851776 23.95226       29.38614 8.666000       40.09667 41.69000       43.19234 21.12837 9.450921 25.98428 10.64846 -4.855911      14.23761 
1 1 1 -8  44 12 f 17.14876 7.025089 10.61925       18.79052 -64.55000      41.69190 29.78064       21.04966 15.39175 7.602252 22.55349 7.817095 -7.161735      10.90418 
1 1 1 -8  44 13 o 43.18673 6.785419 106.6276       27.73877 0.000000       0.000000 106.6276       27.73877 ?        ?        43.18673 6.785419 ?              ?        
1 1 1 -8  44 14 o 26.20972 7.292178 41.02577       19.38891 -27.91000      42.03601 59.65498       21.85226 17.86760 8.539213 31.80083 7.189610 -13.93322      11.16282 
1 1 1 -8  44 15 o 48.67523 5.445083 128.5677       25.49891 134.1000       44.92094 125.9377       30.97246 44.19595 10.53371 46.78230 6.976743 -2.586357      12.63463 
1 1 1 -8  44 16 o 24.56662 7.220009 35.86677       18.50785 38.71000       39.33823 35.05851       20.97419 25.21758 10.22666 24.11004 7.795623 1.107536       12.85909 
1 1 1 -8  44 17 o 24.91573 7.240385 37.07010       18.70460 29.95000       39.13758 39.17778       21.29385 23.72505 9.963590 25.32047 7.813071 -1.595421      12.66164 
1 1 1 -8  44 18 o 18.97530 7.567186 16.66277       21.15516 -7.571000      37.81182 27.70500       25.52381 18.70284 8.670478 22.09554 8.454142 -3.392702      12.10990 
1 1 1 -8  44 19 o 16.35637 7.511822 -6.958275      27.43870 12.37000       36.85664 -30.99000      41.09715 20.80616 9.197699 17.28730 8.309628 3.518860       12.39547 
1 1 1 -8  44 20 o 17.98001 7.975859 4.262769       27.94998 2.437000       37.60212 6.517000       41.78195 19.63406 8.931760 20.75584 9.431508 -1.121777      12.98960 
1 1 1 -8  44 21 o 22.20180 9.582758 22.86000       37.97949 22.86000       37.97949 0.000000       0.000000 22.20180 9.582758 ?        ?        ?              ?        
1 1 1 -8  44 22 o 25.38192 10.24296 43.69000       39.24612 43.69000       39.24612 0.000000       0.000000 25.38192 10.24296 ?        ?        ?              ?        
1 1 1 -8  44 23 o 17.39150 7.818707 1.615568       27.82431 -30.04000      37.91272 38.57000       40.96313 16.43713 7.921331 24.46035 10.22747 -8.023214      12.93633 
1 1 1 -8  44 24 o 25.09318 10.43522 43.10000       42.30619 0.000000       0.000000 43.10000       42.30619 ?        ?        25.09318 10.43522 ?              ?        
1 1 1 -8  45 1  o 21.14317 8.340878 23.14186       25.44074 1.142000       40.26743 37.75744       32.82100 20.17414 9.202712 24.74666 9.556159 -4.572523      13.26688 
1 1 1 -8  45 2  o 25.52258 7.209523 38.83847       18.80057 30.98000       40.30097 41.02439       21.25513 24.00286 10.09726 25.92463 7.767226 -1.921774      12.73909 
1 1 1 -8  45 3  o 23.80282 7.614981 34.01497       20.04995 45.05000       40.41228 30.41177       23.09249 26.25855 10.46308 22.72418 8.159721 3.534369       13.26865 
1 1 1 -8  45 4  o 15.07734 6.629346 0.8029292      18.90560 9.351000       39.97562 -1.659746      21.45679 21.05378 9.425699 15.46337 6.915482 5.590413       11.69050 
1 1 1 -8  45 5  f 33.70386 6.169365 64.04483       19.60311 95.63000       43.98314 56.21530       21.89840 35.82077 11.25675 30.65918 7.385244 5.161589       13.46315 
1 1 1 -8  45 6  o 20.76480 7.289369 24.34969       18.33614 -49.14000      42.52185 41.13641       20.32272 16.43935 8.028997 26.06953 7.538641 -9.630180      11.01344 
1 1 1 -8  45 7  f 15.03135 6.475812 3.291290       17.28181 -52.39000      39.98228 16.08422       19.16452 15.65580 7.675496 18.52706 7.260295 -2.871259      10.56528 
1 1 1 -8  45 8  o 47.01829 4.556825 116.7202       20.70917 95.03000       44.58128 122.6885       23.38541 35.52241 11.35406 47.80653 5.074923 -12.28412      12.43662 
1 1 1 -8  45 9  o 31.92109 6.774866 59.12196       20.51250 45.90000       41.11645 63.50320       23.66827 26.38879 10.54090 32.48117 7.582892 -6.092386      12.98503 
1 1 1 -8  45 10 o 14.51906 6.477023 -1.844243      18.69885 0.000000       0.000000 -1.844243      18.69885 ?        ?        14.51906 6.477023 ?              ?        
1 1 1 -8  45 11 o 16.23376 7.093559 3.094132       21.34698 0.000000       0.000000 3.094132       21.34698 ?        ?        16.23376 7.093559 ?              ?        
1 1 1 -8  45 12 o 15.94932 7.783722 -46.13000      39.74428 0.000000       0.000000 -46.13000      39.74428 ?        ?        15.94932 7.783722 ?              ?        
1 1 1 -8  45 13 o 16.81374 7.157712 7.429075       20.65538 21.95000       37.96428 1.323200       24.61796 22.25175 9.592421 16.76904 7.459325 5.482706       12.15138 
1 1 1 -8  45 14 o 15.50012 6.683706 4.103468       18.44094 17.09000       37.25606 -0.1107861     21.22319 21.44507 9.370936 15.56521 6.924758 5.879858       11.65190 
1 1 1 -8  45 15 o 29.53732 6.767443 51.29963       19.14537 2.051000       38.31582 67.68720       22.10235 19.69857 8.982376 33.96554 6.884066 -14.26697      11.31695 
1 1 1 -8  45 16 o 28.36437 6.955520 47.98239       19.16097 58.14000       39.37388 44.83041       21.93331 28.15826 10.56227 26.76702 7.857945 1.391233       13.16468 
1 1 1 -8  45 17 o 26.52737 8.141699 44.89428       23.16068 81.81000       39.51013 25.56812       28.58746 32.95871 10.70287 21.63880 8.738636 11.31990       13.81721 
1 1 1 -8  45 18 o 25.32182 9.123689 42.77633       28.89946 -17.94000      38.05485 125.5000       44.41935 17.48581 8.290563 41.17932 10.86469 -23.69351      13.66656 
1 1 1 -8  45 19 o 19.87100 8.434377 16.87012       28.53593 -7.332000      38.21040 47.39000       42.90879 18.42255 8.599515 25.74252 10.58837 -7.319962      13.64057 
1 1 1 -8  45 20 f 13.97530 6.926815 -58.97000      35.72897 -58.97000      35.72897 0.000000       0.000000 13.97530 6.926815 ?        ?        ?              ?        
1 1 1 -8  45 21 o 24.34384 10.09022 39.89000       39.37120 39.89000       39.37120 0.000000       0.000000 24.34384 10.09022 ?        ?        ?              ?        
1 1 1 -8  46 1  o 18.63788 7.137678 17.50313       18.20469 30.70000       38.18217 13.62057       20.71021 23.50698 9.854623 18.12185 7.393711 5.385126       12.31993 
1 1 1 -8  46 2  o 27.32467 8.550308 48.14708       25.40317 20.23000       38.24135 70.19570       33.98513 21.97491 9.549767 31.69088 9.885640 -9.715969      13.74496 
1 1 1 -8  46 3  o 17.03699 6.931216 11.39964       18.13788 -1.228000      36.70198 15.48026       20.86368 19.06069 8.729216 18.57263 7.477747 0.4880619      11.49417 
1 1 1 -8  46 4  o 23.66386 7.643382 34.13956       20.16626 38.65000       38.41820 32.42411       23.69281 24.77549 10.08453 23.07616 8.267626 1.699333       13.04038 
1 1 1 -8  46 5  o 17.02448 7.043454 10.38231       19.13571 20.48000       38.26070 7.013896       22.09808 21.98035 9.552157 17.05508 7.334955 4.925272       12.04347 
1 1 1 -8  46 6  o 25.03882 7.178424 37.83215       18.50201 14.25000       38.97807 44.69110       21.02120 21.23015 9.418151 26.91802 7.630164 -5.687870      12.12110 
1 1 1 -8  46 7  o 18.71576 7.258637 17.46237       18.99744 1.617000       37.29200 23.01558       22.07681 19.43971 8.863266 20.52943 7.860668 -1.089722      11.84684 
1 1 1 -8  46 8  o 17.74894 7.117242 13.85248       18.81940 -33.01000      36.86348 30.37136       21.88638 16.09446 7.769800 22.44670 7.956461 -6.352242      11.12093 
1 1 1 -8  46 9  o 29.54674 6.615133 51.16390       18.65439 42.11000       38.60096 53.92265       21.30773 25.20473 10.16304 29.78035 7.354034 -4.575623      12.54469 
1 1 1 -8  46 10 o 26.29140 7.701252 43.08372       21.08732 0.000000       0.000000 43.08372       21.08732 ?        ?        26.29140 7.701252 ?              ?        
1 1 1 -8  46 11 o 15.62080 6.752845 4.461602       18.91845 13.98000       39.35304 1.600634       21.57510 21.06131 9.395878 15.85470 7.021611 5.206609       11.72969 
1 1 1 -8  46 12 o 25.30150 8.343838 41.35629       23.97079 47.42000       40.80099 38.16013       29.62207 25.89495 10.44606 24.22297 9.145118 1.671986       13.88357 
1 1 1 -8  46 13 o 25.96543 8.026776 43.16523       22.46252 29.42000       42.00076 48.67167       26.58377 23.16237 10.03732 26.95946 8.780962 -3.797085      13.33616 
1 1 1 -8  46 14 o 18.08640 7.893630 8.707214       26.36537 0.000000       0.000000 8.707214       26.36537 ?        ?        18.08640 7.893630 ?              ?        
1 1 1 -8  46 15 o 15.30481 6.672327 3.465281       18.79386 2.997000       38.84095 3.608435       21.47523 19.51990 8.954582 16.08036 7.068110 3.439537       11.40801 
1 1 1 -8  46 16 o 18.01690 8.474189 -11.02000      38.31440 -11.02000      38.31440 0.000000       0.000000 18.01690 8.474189 ?        ?        ?              ?        
1 1 1 -8  47 1  o 43.63766 5.008843 103.6308       21.00723 128.5000       41.95169 95.30798       24.26918 42.45725 10.21862 40.70965 6.293257 1.747601       12.00105 
1 1 1 -8  47 2  o 26.75634 7.289164 44.19533       19.60450 19.06000       38.42383 53.04143       22.79473 21.39163 9.426609 28.89334 7.855157 -7.501709      12.27047 
1 1 1 -8  47 3  o 28.18277 8.506102 52.65070       25.42266 72.98000       39.25618 37.96585       33.36426 30.61476 10.67147 24.02315 9.528205 6.591616       14.30619 
1 1 1 -8  47 4  o 28.43493 7.067095 49.21771       19.58418 52.53000       40.27685 48.19211       22.41199 26.51731 10.48424 27.43737 7.911368 -0.9200649     13.13427 
1 1 1 -8  47 5  o 18.15574 7.321657 15.37928       20.03680 58.08000       39.36250 0.4453193      23.27837 27.54455 10.50864 16.02113 7.181128 11.52343       12.72792 
1 1 1 -8  47 6  o 23.32770 8.130543 34.71491       22.78727 53.06000       39.58086 25.62000       27.86919 26.55841 10.42607 21.30501 8.619421 5.253395       13.52765 
1 1 1 -8  47 7  o 17.56849 6.996621 14.51697       18.06096 -41.98000      38.36945 30.59806       20.47061 15.56146 7.605970 22.21976 7.708430 -6.658298      10.82916 
1 1 1 -8  47 8  o 15.41466 6.792172 2.419691       19.94440 0.000000       0.000000 2.419691       19.94440 ?        ?        15.41466 6.792172 ?              ?        
1 1 1 -8  47 9  o 21.77361 7.739469 29.02400       20.72169 0.000000       0.000000 29.02400       20.72169 ?        ?        21.77361 7.739469 ?              ?        
1 1 1 -8  47 10 o 21.27437 7.336551 27.44636       18.53180 -17.48000      38.91501 40.62279       21.07490 17.47500 8.313652 25.19885 7.772317 -7.723846      11.38094 
1 1 1 -8  47 11 o 21.26008 9.409405 19.86000       38.68266 19.86000       38.68266 0.000000       0.000000 21.26008 9.409405 ?        ?        ?              ?        
1 1 1 -7  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  2  o 324.1481 8.800709 5165.032       278.7681 5165.032       278.7681 5165.032       278.7681 324.1481 8.800709 324.1481 8.800709 0.000000       0.000000 
1 1 1 -7  0  3  o 347.4560 9.386458 5935.970       318.7064 5935.970       318.7064 5935.970       318.7064 347.4560 9.386458 347.4560 9.386458 0.000000       0.000000 
1 1 1 -7  0  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  5  o 54.91861 3.887491 149.8739       20.65247 149.8739       20.65247 149.8739       20.65247 54.91861 3.887491 54.91861 3.887491 0.000000       0.000000 
1 1 1 -7  0  6  o 395.8464 10.61284 7705.996       410.5426 7705.996       410.5426 7705.996       410.5426 395.8464 10.61284 395.8464 10.61284 0.000000       0.000000 
1 1 1 -7  0  7  o 107.0098 4.036009 563.0131       42.13812 563.0131       42.13812 563.0131       42.13812 107.0098 4.036009 107.0098 4.036009 0.000000       0.000000 
1 1 1 -7  0  8  o 495.8788 13.16352 12097.68       637.9131 12097.68       637.9131 12097.68       637.9131 495.8788 13.16352 495.8788 13.16352 0.000000       0.000000 
1 1 1 -7  0  9  f 183.5154 5.491285 1653.430       98.43991 1653.430       98.43991 1653.430       98.43991 183.5154 5.491285 183.5154 5.491285 -0.000000      0.000000 
1 1 1 -7  0  10 o 288.0013 7.934705 4072.075       223.2983 4072.075       223.2983 4072.075       223.2983 288.0013 7.934705 288.0013 7.934705 0.000000       0.000000 
1 1 1 -7  0  11 o 702.2350 18.49088 24285.11       1269.011 24285.11       1269.011 24285.11       1269.011 702.2350 18.49088 702.2350 18.49088 0.000000       0.000000 
1 1 1 -7  0  12 o 223.4390 9.127374 2458.000       198.8645 2458.000       198.8645 2458.000       198.8645 223.4390 9.127374 223.4390 9.127374 0.000000       0.000000 
1 1 1 -7  0  13 o 469.8178 17.77871 10890.00       814.9284 10890.00       814.9284 10890.00       814.9284 469.8178 17.77871 469.8178 17.77871 0.000000       0.000000 
1 1 1 -7  0  14 o 244.1883 9.846772 2936.000       234.4844 2936.000       234.4844 2936.000       234.4844 244.1883 9.846772 244.1883 9.846772 0.000000       0.000000 
1 1 1 -7  0  15 o 230.8830 6.623871 2616.841       149.4173 2616.841       149.4173 2616.841       149.4173 230.8830 6.623871 230.8830 6.623871 0.000000       0.000000 
1 1 1 -7  0  16 o 171.7833 5.387699 1449.073       90.39021 1449.073       90.39021 1449.073       90.39021 171.7833 5.387699 171.7833 5.387699 0.000000       0.000000 
1 1 1 -7  0  17 o 114.6335 6.542670 649.8000       72.86148 649.8000       72.86148 649.8000       72.86148 114.6335 6.542670 114.6335 6.542670 -0.000000      0.000000 
1 1 1 -7  0  18 o 62.28397 8.027674 199.3000       46.70918 199.3000       46.70918 199.3000       46.70918 62.28397 8.027674 62.28397 8.027674 0.000000       0.000000 
1 1 1 -7  0  19 o 95.49847 4.754931 449.8484       44.19490 449.8484       44.19490 449.8484       44.19490 95.49847 4.754931 95.49847 4.754931 0.000000       0.000000 
1 1 1 -7  0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  21 o 50.82436 6.195513 132.0657       29.60069 132.0657       29.60069 132.0657       29.60069 50.82436 6.195513 50.82436 6.195513 0.000000       0.000000 
1 1 1 -7  0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  24 o 148.7718 5.023839 1087.911       72.96883 1087.911       72.96883 1087.911       72.96883 148.7718 5.023839 148.7718 5.023839 0.000000       0.000000 
1 1 1 -7  0  25 o 272.4131 7.642426 3648.862       203.4191 3648.862       203.4191 3648.862       203.4191 272.4131 7.642426 272.4131 7.642426 -0.000000      0.000000 
1 1 1 -7  0  26 o 66.12897 8.411222 224.8000       52.04401 224.8000       52.04401 224.8000       52.04401 66.12897 8.411222 66.12897 8.411222 0.000000       0.000000 
1 1 1 -7  0  27 f 109.5306 4.696426 590.9890       50.14000 590.9890       50.14000 590.9890       50.14000 109.5306 4.696426 109.5306 4.696426 0.000000       0.000000 
1 1 1 -7  0  28 o 383.7490 10.40456 7262.595       390.1708 7262.595       390.1708 7262.595       390.1708 383.7490 10.40456 383.7490 10.40456 0.000000       0.000000 
1 1 1 -7  0  29 o 351.5664 9.606271 6092.680       330.0158 6092.680       330.0158 6092.680       330.0158 351.5664 9.606271 351.5664 9.606271 0.000000       0.000000 
1 1 1 -7  0  30 o 81.79065 4.992900 331.5206       39.62782 331.5206       39.62782 331.5206       39.62782 81.79065 4.992900 81.79065 4.992900 0.000000       0.000000 
1 1 1 -7  0  31 o 35.94899 9.621078 75.64134       29.25104 75.64134       29.25104 75.64134       29.25104 35.94899 9.621078 35.94899 9.621078 0.000000       0.000000 
1 1 1 -7  0  32 o 174.1074 5.561863 1491.392       94.56662 1491.392       94.56662 1491.392       94.56662 174.1074 5.561863 174.1074 5.561863 0.000000       0.000000 
1 1 1 -7  0  33 o 81.37086 4.921761 328.2283       38.86907 328.2283       38.86907 328.2283       38.86907 81.37086 4.921761 81.37086 4.921761 0.000000       0.000000 
1 1 1 -7  0  34 o 115.5190 4.823064 657.9453       54.31925 657.9453       54.31925 657.9453       54.31925 115.5190 4.823064 115.5190 4.823064 0.000000       0.000000 
1 1 1 -7  0  35 o 120.2392 7.222034 719.3000       84.28946 719.3000       84.28946 719.3000       84.28946 120.2392 7.222034 120.2392 7.222034 0.000000       0.000000 
1 1 1 -7  0  36 f 100.5828 7.349877 506.5000       71.45498 506.5000       71.45498 506.5000       71.45498 100.5828 7.349877 100.5828 7.349877 -0.000000      0.000000 
1 1 1 -7  0  37 o 45.11674 8.069057 109.5209       32.24281 109.5209       32.24281 109.5209       32.24281 45.11674 8.069057 45.11674 8.069057 0.000000       0.000000 
1 1 1 -7  0  38 f 43.96376 11.12998 112.6000       41.41282 112.6000       41.41282 112.6000       41.41282 43.96376 11.12998 43.96376 11.12998 -0.000000      0.000000 
1 1 1 -7  0  39 o 57.39656 8.926199 174.9000       46.53654 174.9000       46.53654 174.9000       46.53654 57.39656 8.926199 57.39656 8.926199 0.000000       0.000000 
1 1 1 -7  0  40 f 26.08409 11.61428 49.32519       31.40443 49.32519       31.40443 49.32519       31.40443 26.08409 11.61428 26.08409 11.61428 0.000000       0.000000 
1 1 1 -7  0  41 o 16.54197 10.08456 12.93416       30.76862 12.93416       30.76862 12.93416       30.76862 16.54197 10.08456 16.54197 10.08456 -0.000000      0.000000 
1 1 1 -7  0  42 o 13.30745 8.813418 -6.387462      30.11930 -6.387462      30.11930 -6.387462      30.11930 13.30745 8.813418 13.30745 8.813418 -0.000000      0.000000 
1 1 1 -7  0  43 o 25.44788 11.55195 47.72968       31.08487 47.72968       31.08487 47.72968       31.08487 25.44788 11.55195 25.44788 11.55195 0.000000       0.000000 
1 1 1 -7  0  44 o 20.81243 11.09103 32.17402       30.66492 32.17402       30.66492 32.17402       30.66492 20.81243 11.09103 20.81243 11.09103 -0.000000      0.000000 
1 1 1 -7  0  45 o 31.39362 11.47808 66.54167       32.51545 66.54167       32.51545 66.54167       32.51545 31.39362 11.47808 31.39362 11.47808 0.000000       0.000000 
1 1 1 -7  0  46 o 53.82572 7.214727 152.3911       36.09748 152.3911       36.09748 152.3911       36.09748 53.82572 7.214727 53.82572 7.214727 0.000000       0.000000 
1 1 1 -7  0  47 o 17.20440 10.40702 16.42210       32.22716 16.42210       32.22716 16.42210       32.22716 17.20440 10.40702 17.20440 10.40702 0.000000       0.000000 
1 1 1 -7  0  48 f 67.27617 6.104100 231.8551       39.39710 231.8551       39.39710 231.8551       39.39710 67.27617 6.104100 67.27617 6.104100 0.000000       0.000000 
1 1 1 -7  0  49 o 16.23964 10.02435 12.66163       31.28146 12.66163       31.28146 12.66163       31.28146 16.23964 10.02435 16.23964 10.02435 -0.000000      0.000000 
1 1 1 -7  0  50 o 54.86197 7.222993 159.7129       36.92111 159.7129       36.92111 159.7129       36.92111 54.86197 7.222993 54.86197 7.222993 0.000000       0.000000 
1 1 1 -7  0  51 o 89.75267 8.063095 422.0000       69.45783 422.0000       69.45783 422.0000       69.45783 89.75267 8.063095 89.75267 8.063095 0.000000       0.000000 
1 1 1 -7  0  52 o 16.65871 11.11343 -6.755000      49.37294 -6.755000      49.37294 -6.755000      49.37294 16.65871 11.11343 16.65871 11.11343 -0.000000      0.000000 
1 1 1 -7  0  53 o 12.27237 8.393676 -16.28664      31.80099 -16.28664      31.80099 -16.28664      31.80099 12.27237 8.393676 12.27237 8.393676 0.000000       0.000000 
1 1 1 -7  0  54 o 68.26624 8.786548 253.7000       56.04451 253.7000       56.04451 253.7000       56.04451 68.26624 8.786548 68.26624 8.786548 0.000000       0.000000 
1 1 1 -7  0  55 o 38.63029 10.65727 93.76576       34.84611 93.76576       34.84611 93.76576       34.84611 38.63029 10.65727 38.63029 10.65727 0.000000       0.000000 
1 1 1 -7  0  56 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  0  57 o 19.87026 12.34903 24.27000       48.26686 24.27000       48.26686 24.27000       48.26686 19.87026 12.34903 19.87026 12.34903 0.000000       0.000000 
1 1 1 -7  0  58 o 14.43266 9.373345 2.809609       31.65811 2.809609       31.65811 2.809609       31.65811 14.43266 9.373345 14.43266 9.373345 0.000000       0.000000 
1 1 1 -7  0  59 o 17.66754 10.58583 21.23195       32.71005 21.23195       32.71005 21.23195       32.71005 17.66754 10.58583 17.66754 10.58583 0.000000       0.000000 
1 1 1 -7  0  60 o 54.35167 7.315125 159.7273       36.93709 159.7273       36.93709 159.7273       36.93709 54.35167 7.315125 54.35167 7.315125 0.000000       0.000000 
1 1 1 -7  0  61 o 23.27043 11.75923 45.36518       33.21995 45.36518       33.21995 45.36518       33.21995 23.27043 11.75923 23.27043 11.75923 -0.000000      0.000000 
1 1 1 -7  0  62 o 47.28995 8.820899 128.7521       36.66570 128.7521       36.66570 128.7521       36.66570 47.28995 8.820899 47.28995 8.820899 0.000000       0.000000 
1 1 1 -7  1  1  o 400.7796 7.567037 7886.854       296.8504 7919.842       421.2269 7854.305       418.4070 400.8129 10.74633 399.1574 10.71869 1.655548       15.17808 
1 1 1 -7  1  2  o 190.4458 3.925003 1776.632       73.16739 1774.942       103.6158 1778.314       103.3334 190.1899 5.571867 190.3724 5.551299 -0.1825409     7.865280 
1 1 1 -7  1  3  o 280.0346 6.279912 3846.404       172.1359 4349.000       323.8870 3648.557       203.2115 296.8593 11.16636 272.4899 7.626389 24.36938       13.52218 
1 1 1 -7  1  4  o 506.6992 9.481609 12627.21       470.2605 12442.42       658.2025 12819.89       672.1133 501.5750 13.41862 509.0995 13.49948 -7.524506      19.03406 
1 1 1 -7  1  5  o 379.9949 7.193056 7085.764       267.5454 7145.863       380.6088 7027.060       376.1630 380.9542 10.21626 377.7796 10.18187 3.174591       14.42368 
1 1 1 -7  1  6  o 301.6958 5.812611 4461.779       171.6511 4423.190       241.3222 4501.296       244.2062 300.0370 8.224815 302.6727 8.250543 -2.635681      11.64985 
1 1 1 -7  1  7  f 298.1782 5.753854 4357.371       167.9349 4320.397       236.1482 4395.201       238.8668 296.5957 8.141879 299.1512 8.165167 -2.555542      11.53083 
1 1 1 -7  1  8  o 347.4898 6.619752 5918.875       225.1594 5852.234       316.0754 5987.535       320.8247 345.1325 9.364834 349.0976 9.397447 -3.965057      13.26696 
1 1 1 -7  1  9  o 270.0428 5.276301 3571.976       139.4660 3595.346       198.0838 3549.003       196.3964 270.7062 7.482750 268.9559 7.467353 1.750305       10.57132 
1 1 1 -7  1  10 o 713.6038 13.24425 25038.10       925.1041 24982.35       1306.539 25094.16       1310.058 710.9062 18.79251 712.4930 18.80111 -1.586853      26.58270 
1 1 1 -7  1  11 o 416.6526 9.069898 8513.125       369.8986 8492.394       452.2871 8555.000       642.8041 415.7893 11.12308 416.5414 15.79435 -0.7520142     19.31798 
1 1 1 -7  1  12 o 90.95810 3.443516 405.6039       30.60305 400.3362       37.16398 416.7000       53.93800 90.32572 4.215062 92.03716 6.020269 -1.711441      7.349176 
1 1 1 -7  1  13 o 350.9381 7.738930 6036.226       265.8384 5933.000       454.7830 6089.804       327.6432 347.1674 13.40838 352.2348 9.511749 -5.067413      16.43953 
1 1 1 -7  1  14 o 299.1211 6.699028 4383.885       196.1395 4457.000       343.7389 4348.587       238.8380 301.0350 11.68776 297.7184 8.203623 3.316589       14.27947 
1 1 1 -7  1  15 o 212.1101 5.053374 2203.378       104.9178 2350.000       189.1499 2138.219       126.0935 218.7249 8.853193 208.8249 6.175634 9.899994       10.79433 
1 1 1 -7  1  16 o 379.0156 8.313231 7044.090       308.4133 6895.000       525.9798 7122.208       380.7332 373.9946 14.39492 380.7882 10.22408 -6.793640      17.65631 
1 1 1 -7  1  17 o 142.9598 3.992331 1001.498       55.81120 957.2000       93.73540 1025.828       69.46698 139.5822 6.881901 144.6412 4.913731 -5.058960      8.456081 
1 1 1 -7  1  18 o 271.5292 6.183899 3613.005       164.3559 3587.232       200.3750 3666.000       287.3265 270.3661 7.579031 272.9459 10.77574 -2.579742      13.17416 
1 1 1 -7  1  19 o 184.2098 4.617270 1663.166       83.18819 1701.231       103.0619 1592.000       140.9198 186.2396 5.660104 179.9536 8.020432 6.285965       9.816522 
1 1 1 -7  1  20 o 196.2364 4.803807 1886.619       92.27232 1919.373       114.1932 1825.000       156.6243 197.7927 5.904866 192.6279 8.326467 5.164886       10.20772 
1 1 1 -7  1  21 o 257.5705 5.130744 3251.267       129.3548 3232.591       182.2820 3270.214       183.5958 256.5544 7.266005 258.0430 7.276093 -1.488586      10.28282 
1 1 1 -7  1  22 o 246.9161 7.010794 2994.842       169.2711 2895.000       234.2218 3104.000       244.9067 242.3181 9.895774 250.9087 9.991899 -8.590607      14.06287 
1 1 1 -7  1  23 o 428.7171 8.121591 9034.886       340.8146 8910.322       477.2793 9164.484       486.8319 424.6701 11.49249 430.6649 11.55916 -5.994843      16.30004 
1 1 1 -7  1  24 o 139.5718 3.976749 955.2618       54.27365 966.7419       67.18600 933.7000       92.07657 140.3380 4.898509 137.7190 6.851966 2.618988       8.422875 
1 1 1 -7  1  25 o 269.3178 6.163359 3560.591       162.4758 3536.000       280.5066 3573.007       199.3154 267.3543 10.74075 269.4762 7.563872 -2.121887      13.13681 
1 1 1 -7  1  26 o 247.3576 4.971756 3001.037       120.3764 2962.568       168.9687 3040.684       171.5362 245.3995 7.041669 248.6137 7.056090 -3.214188      9.968626 
1 1 1 -7  1  27 f 245.9163 5.723114 2968.938       137.7609 2885.000       233.4566 3013.781       170.6364 241.4732 9.898118 247.4687 7.051609 -5.995529      12.15310 
1 1 1 -7  1  28 o 208.4143 5.061323 2131.382       103.2518 2117.441       125.9149 2160.000       180.4014 207.5043 6.206292 209.0715 8.835247 -1.567276      10.79721 
1 1 1 -7  1  29 f 127.1040 3.409413 792.2304       42.37919 769.3030       59.32012 816.1309       60.56576 125.1223 4.852722 128.8842 4.809321 -3.761902      6.832165 
1 1 1 -7  1  30 o 270.2312 5.375763 3586.104       142.1942 3589.441       201.2868 3582.781       200.8997 269.7876 7.629980 269.5391 7.622328 0.2485657      10.78501 
1 1 1 -7  1  31 o 199.0228 4.954538 1944.814       96.51889 1804.000       161.3021 2023.354       120.4653 190.8646 8.656459 202.7481 6.077003 -11.88348      10.57659 
1 1 1 -7  1  32 o 76.50203 3.541523 287.5613       26.44779 277.9072       37.34878 297.2714       37.45709 75.04144 5.115328 77.64262 4.954495 -2.601173      7.121349 
1 1 1 -7  1  33 o 160.1825 3.745795 1258.663       58.73071 1251.794       82.82603 1265.610       83.29145 159.4715 5.313546 160.3500 5.314048 -0.8785248     7.514844 
1 1 1 -7  1  34 o 105.5460 4.005247 547.6523       41.30367 554.2473       49.95406 533.4000       73.43559 106.0744 4.823833 103.6258 7.286341 2.448555       8.738428 
1 1 1 -7  1  35 o 147.4062 4.239083 1068.637       61.10020 1071.356       74.39279 1063.000       107.1051 147.4205 5.163426 146.2589 7.506492 1.161575       9.110894 
1 1 1 -7  1  36 f 55.96239 4.439429 155.0354       24.11897 131.3188       33.66113 180.0586       34.57601 51.02737 6.917340 60.08429 5.957420 -9.056919      9.129099 
1 1 1 -7  1  37 o 158.6476 5.385965 1244.679       83.51668 0.000000       0.000000 1244.679       83.51668 ?        ?        158.6476 5.385965 ?              ?        
1 1 1 -7  1  38 f 58.03010 4.865127 167.4180       27.38047 140.7000       44.64710 183.5237       34.66419 52.12449 9.080579 60.55821 5.923596 -8.433716      10.84186 
1 1 1 -7  1  39 o 18.36694 7.478252 7.018699       21.13393 35.48243       29.55884 -22.74871      30.22818 27.28520 9.269695 16.93009 7.814675 10.35511       12.12421 
1 1 1 -7  1  40 o 65.82608 4.684327 215.4937       29.98502 216.5577       37.13420 213.5000       50.83076 65.70428 5.834572 64.46970 8.243323 1.234581       10.09924 
1 1 1 -7  1  41 o 9.279701 4.691118 -69.60689      20.69119 -56.21624      28.93921 -83.61163      29.59535 13.28115 6.515128 11.82622 5.929591 1.454930       8.809481 
1 1 1 -7  1  42 o 18.89758 7.584236 9.437546       21.38895 -10.00802      30.36744 28.58155       30.13104 18.48783 8.250383 25.49784 9.297756 -7.010008      12.43049 
1 1 1 -7  1  43 o 33.93036 6.911759 60.16997       22.17487 34.42542       31.33699 85.99029       31.38307 26.98435 9.524647 40.31367 8.231803 -13.32932      12.58894 
1 1 1 -7  1  44 o 82.95937 3.686322 340.9332       29.85926 325.1424       41.88156 357.2566       42.58189 80.47727 5.347040 84.43871 5.176900 -3.961433      7.442522 
1 1 1 -7  1  45 o 82.89673 3.738843 340.8927       30.25949 296.1665       41.42792 392.0434       44.30342 76.62601 5.561303 88.39481 5.142611 -11.76880      7.574598 
1 1 1 -7  1  46 o 99.28953 4.224099 491.4723       40.95908 613.1000       76.24210 442.1281       48.56197 109.0925 7.179837 93.66145 5.318853 15.43108       8.935337 
1 1 1 -7  1  47 o 71.02983 4.078537 252.1473       28.23720 223.1696       39.28590 283.1175       40.61408 65.93559 6.158338 74.61190 5.602027 -8.676315      8.325132 
1 1 1 -7  1  48 o 35.85371 7.161747 68.89880       24.25374 103.2276       34.54303 35.51956       34.06195 43.46777 8.422928 26.93702 9.875647 16.53075       12.97976 
1 1 1 -7  1  49 o 25.90718 8.120774 35.98906       22.90489 54.04104       32.72152 18.64553       32.07303 31.07927 9.700924 23.09932 9.281469 7.979944       13.42586 
1 1 1 -7  1  50 o 89.72390 4.392494 405.6426       38.45950 367.1809       45.87582 496.6000       70.54863 84.61864 5.569715 96.71942 7.510755 -12.10078      9.350571 
1 1 1 -7  1  51 o 40.25920 7.670793 88.41936       29.12479 104.4045       35.28576 54.25000       51.58926 43.28308 8.631554 31.69294 12.04502 11.59014       14.81844 
1 1 1 -7  1  52 o 50.10826 5.392624 129.8409       26.03353 116.1692       37.18540 142.9839       36.45927 45.53745 8.658896 51.42485 7.460765 -5.887402      11.42976 
1 1 1 -7  1  53 o 48.71487 7.552967 129.3283       34.84993 0.000000       0.000000 129.3283       34.84993 ?        ?        48.71487 7.552967 ?              ?        
1 1 1 -7  1  54 o 47.62309 5.449569 118.2169       24.94614 92.33843       34.67413 145.9839       35.91702 39.93843 9.076420 51.82505 7.280849 -11.88662      11.63581 
1 1 1 -7  1  55 o 45.16950 6.463087 109.4541       27.76188 98.40578       33.74339 132.6000       48.84007 41.44952 8.599064 46.30338 10.94926 -4.853859      13.92229 
1 1 1 -7  1  56 o 18.86229 8.176598 3.170955       27.89060 36.09000       48.92423 -12.67811      33.94706 27.71685 11.34282 18.36716 8.405441 9.349688       14.11776 
1 1 1 -7  1  57 o 41.62309 6.904483 94.61794       27.14488 127.1000       45.80516 77.03562       33.70005 45.53745 10.49219 35.90966 9.458189 9.627781       14.12598 
1 1 1 -7  1  58 f 30.97754 7.764714 54.57563       23.49570 89.15664       32.81763 18.20947       33.65403 39.12625 8.784763 22.61558 9.347191 16.51066       12.82739 
1 1 1 -7  1  59 f 27.11849 8.231540 42.17875       23.76062 72.12967       33.66785 12.45895       33.53770 34.51300 9.611786 21.58386 9.151836 12.92914       13.27187 
1 1 1 -7  1  60 o 43.94914 5.948352 103.0822       24.93269 79.85168       34.90462 127.2839       35.62676 36.23026 9.664536 47.48396 7.945700 -11.25370      12.51149 
1 1 1 -7  1  61 o 28.73226 8.084371 48.06102       23.68819 43.66803       33.52181 52.44268       33.47854 27.33197 9.829042 29.34758 9.865503 -2.015612      13.92617 
1 1 1 -7  1  62 o 24.70819 8.942286 34.36983       27.79984 32.46629       33.56261 38.53000       49.61703 24.75270 9.634541 27.14744 11.29617 -2.394743      14.84681 
1 1 1 -7  2  1  o 391.5071 7.399045 7524.677       283.5447 7560.106       402.4494 7489.756       399.5518 391.6803 10.50669 389.8592 10.47980 1.821106       14.83970 
1 1 1 -7  2  2  o 357.5985 6.793066 6274.551       237.7758 6319.748       338.1073 6230.324       334.4540 358.2890 9.649625 355.7511 9.613513 2.537903       13.62112 
1 1 1 -7  2  3  o 169.2132 3.597587 1402.340       59.58704 1464.987       86.40020 1345.516       82.28773 172.8136 5.113385 165.6132 5.082157 7.200394       7.209371 
1 1 1 -7  2  4  o 268.8895 5.241082 3543.684       137.9434 3513.884       194.1077 3574.090       196.0700 267.4594 7.421619 269.7411 7.433134 -2.281738      10.50390 
1 1 1 -7  2  5  o 245.2790 4.843184 2947.810       116.2780 3111.988       170.2472 2804.260       159.1928 251.7716 6.914780 239.0009 6.811785 12.77071       9.706421 
1 1 1 -7  2  6  o 269.1483 5.250076 3549.768       138.3132 3627.881       198.4131 3475.926       192.9117 271.8194 7.464400 266.0673 7.414545 5.752075       10.52106 
1 1 1 -7  2  7  o 89.56310 2.722732 393.0627       23.84161 407.0599       33.84599 379.2766       33.58972 91.09402 3.804242 87.91852 3.912995 3.175507       5.457452 
1 1 1 -7  2  8  o 82.69735 2.744521 335.1566       22.18515 333.7672       31.26496 336.5656       31.48527 82.46935 3.884016 82.81448 3.895055 -0.3451309     5.500639 
1 1 1 -7  2  9  o 621.0440 13.35261 18974.71       811.6984 18794.49       987.5400 19350.00       1425.096 617.0752 16.36417 623.4073 23.39577 -6.332153      28.55079 
1 1 1 -7  2  10 o 270.2078 6.102476 3576.749       161.4025 3593.457       198.3475 3544.000       277.6887 270.6691 7.493765 268.5028 10.58657 2.166290       12.97043 
1 1 1 -7  2  11 o 613.4761 13.18331 18496.08       791.6409 18391.58       965.8441 18710.00       1381.851 610.8922 16.16658 613.9865 23.03388 -3.094238      28.14104 
1 1 1 -7  2  12 o 442.7858 8.319408 9611.191       360.5722 9724.985       514.1588 9501.068       505.7963 444.8724 11.81790 439.7258 11.76191 5.146637       16.67349 
1 1 1 -7  2  13 o 202.8691 4.206831 2015.093       83.53666 2063.910       119.7363 1968.797       116.6034 205.1804 5.968227 200.3938 5.951167 4.786591       8.428292 
1 1 1 -7  2  14 o 174.8764 4.411314 1498.401       75.44988 1440.000       128.5182 1529.116       93.20184 171.2315 7.687469 176.6118 5.397697 -5.380310      9.393206 
1 1 1 -7  2  15 o 247.1859 6.990080 2996.607       168.9568 0.000000       0.000000 2996.607       168.9568 ?        ?        247.1859 6.990080 ?              ?        
1 1 1 -7  2  16 f 148.8527 4.982362 1086.372       72.49129 0.000000       0.000000 1086.372       72.49129 ?        ?        148.8527 4.982362 ?              ?        
1 1 1 -7  2  17 o 489.6036 9.176843 11761.96       439.7887 11804.86       623.7787 11719.55       620.1476 489.6894 13.02535 487.9218 12.99647 1.767548       18.40022 
1 1 1 -7  2  18 o 190.8380 4.085798 1783.427       76.32169 1812.932       108.8279 1754.871       107.0640 192.2677 5.789255 189.1611 5.789181 3.106644       8.187191 
1 1 1 -7  2  19 o 354.9370 7.839694 6180.800       272.3683 6184.707       333.6894 6173.000       471.4517 354.7005 9.620010 353.5769 13.64782 1.123596       16.69753 
1 1 1 -7  2  20 o 144.0350 4.032093 1016.889       56.79069 1027.600       69.79340 995.9000       97.69785 144.7377 4.933574 142.3162 7.035139 2.421539       8.592632 
1 1 1 -7  2  21 o 270.0521 7.553837 3582.581       199.4778 3474.000       276.1828 3701.000       288.4236 265.4333 10.65167 273.9577 10.77678 -8.524353      15.15247 
1 1 1 -7  2  22 o 225.1528 4.600548 2484.159       101.3895 2476.527       143.0780 2491.858       143.6969 224.5703 6.515890 225.2640 6.523897 -0.6936646     9.220524 
1 1 1 -7  2  23 o 473.0510 10.31267 11030.53       477.5132 11157.17       589.9728 10790.00       813.0889 474.7190 12.70808 464.2112 17.92806 10.50778       21.97523 
1 1 1 -7  2  24 o 335.7855 7.475655 5540.931       245.7069 5613.000       429.6212 5505.900       299.5283 336.3023 13.07609 334.2554 9.163538 2.046936       15.96730 
1 1 1 -7  2  25 o 269.2666 5.327781 3556.614       140.4220 3496.351       196.3888 3619.651       200.8600 266.5659 7.534282 271.2216 7.573356 -4.655701      10.68275 
1 1 1 -7  2  26 o 253.3844 5.070484 3149.390       125.7580 3049.152       174.1837 3258.532       181.7551 248.9372 7.155872 257.3363 7.222859 -8.399124      10.16741 
1 1 1 -7  2  27 o 158.0507 3.686814 1224.147       57.03663 1157.852       78.44386 1298.508       83.07956 153.5225 5.227748 162.5904 5.227063 -9.067917      7.392668 
1 1 1 -7  2  28 o 186.7778 4.679529 1712.265       85.48534 1647.000       143.9937 1747.787       106.2318 182.6623 8.073512 188.5681 5.762225 -5.905792      9.918913 
1 1 1 -7  2  29 o 184.0627 4.677668 1663.099       84.20724 1716.424       104.8094 1566.000       141.4305 186.8513 5.737369 178.0569 8.136311 8.794464       9.955750 
1 1 1 -7  2  30 o 172.4218 3.888238 1457.606       65.62227 1468.160       93.30946 1447.278       92.30648 172.7999 5.523753 171.5683 5.503656 1.231644       7.797568 
1 1 1 -7  2  31 o 166.3126 3.828472 1356.333       62.32422 1373.438       88.90884 1339.808       87.39030 167.1058 5.442859 165.0490 5.416675 2.056763       7.678872 
1 1 1 -7  2  32 o 64.39806 3.864946 204.1353       24.25042 245.0930       34.90728 165.9290       33.71437 70.45094 5.096464 57.76152 6.052861 12.68941       7.912715 
1 1 1 -7  2  33 o 101.4906 3.927118 506.1584       38.93908 515.3915       47.78081 487.9000       67.19102 102.3142 4.784269 99.20717 6.963525 3.107040       8.448664 
1 1 1 -7  2  34 f 49.49424 5.804221 122.2894       27.58570 167.8314       33.17787 20.30000       49.65014 58.06895 5.919818 28.70671 11.54333 29.36224       12.97277 
1 1 1 -7  2  35 o 54.58970 4.328011 147.3821       22.93711 134.0902       32.33175 160.8502       32.54526 51.69186 6.535851 56.79655 5.941915 -5.104694      8.833102 
1 1 1 -7  2  36 o 194.0967 4.876932 1856.861       92.58207 1746.000       153.3736 1920.414       116.1255 186.9150 8.404513 197.0281 6.028431 -10.11310      10.34301 
1 1 1 -7  2  37 o 64.64907 4.484951 206.8605       28.20495 178.1000       45.75682 224.4850       35.81920 59.17952 8.112398 67.17840 5.495263 -7.998875      9.798414 
1 1 1 -7  2  38 o 14.02890 6.884800 -64.09673      32.42146 -54.12000      47.11526 -73.07000      44.68309 19.43025 9.216098 17.34997 8.418424 2.080282       12.48224 
1 1 1 -7  2  39 o 121.1888 4.078009 724.8622       48.30562 778.4000       88.07475 701.8289       57.76970 124.4778 7.260096 119.0032 4.970412 5.474594       8.798522 
1 1 1 -7  2  40 o 61.31471 4.318402 186.6636       25.75178 173.1825       36.29874 200.3242       36.53949 58.53016 6.442268 63.12752 5.984885 -4.597363      8.793274 
1 1 1 -7  2  41 o 16.45408 7.385020 -10.25467      24.70911 -31.95142      30.58068 30.55000       41.93772 15.97552 7.531530 28.15003 10.82000 -12.17452      13.18318 
1 1 1 -7  2  42 o 33.90310 7.073106 60.06778       22.71191 39.84483       32.02028 80.54330       32.21963 28.43219 9.648075 38.93073 8.676945 -10.49854      12.97593 
1 1 1 -7  2  43 o 88.25798 3.638083 385.4240       31.36179 384.3486       44.53262 386.4822       44.17408 87.63472 5.215121 87.89987 5.156857 -0.2651520     7.334212 
1 1 1 -7  2  44 o 9.889178 4.973648 -64.98457      21.64257 -18.33918      30.38744 -113.0042      30.83183 17.33242 7.939648 10.87330 5.521464 6.459125       9.670811 
1 1 1 -7  2  45 o 35.09747 7.172968 64.91932       23.80931 19.31328       32.87680 115.2174       34.52663 23.90258 9.465370 46.80849 7.810756 -22.90591      12.27197 
1 1 1 -7  2  46 o 60.41197 4.517156 183.0498       26.51787 150.5292       36.87891 217.8647       38.15763 53.74406 7.190639 65.34399 6.033927 -11.59993      9.386883 
1 1 1 -7  2  47 o 72.39201 4.062257 261.8713       28.66940 285.4882       41.29805 239.9025       39.83104 74.87858 5.676933 68.44763 6.005872 6.430946       8.264265 
1 1 1 -7  2  48 o 65.79893 4.324607 217.7016       27.69858 228.6281       39.32269 206.9414       39.02245 66.57830 6.101769 63.15762 6.400498 3.420677       8.842961 
1 1 1 -7  2  49 o 61.05752 5.109028 189.9536       30.25432 206.3995       37.31479 158.4000       51.68653 63.13884 6.114223 52.61053 10.40561 10.52831       12.06899 
1 1 1 -7  2  50 o 55.91367 5.581583 161.1291       30.14016 158.9656       36.58414 165.7000       53.17643 54.77975 6.981267 53.53341 10.52351 1.246338       12.62863 
1 1 1 -7  2  51 o 15.46786 7.148271 -16.32649      25.40255 -1.877000      42.00110 -24.66049      31.89783 22.06816 9.783944 16.70602 7.817468 5.362144       12.52351 
1 1 1 -7  2  52 o 48.62091 6.131807 124.1927       28.53449 137.6000       47.15324 116.4462       35.84211 48.48181 10.25696 45.82067 8.296838 2.661140       13.19252 
1 1 1 -7  2  53 o 51.85826 5.025618 138.3081       25.19077 143.0045       35.56187 133.5780       35.68874 51.45261 7.262833 49.48217 7.612023 1.970444       10.52101 
1 1 1 -7  2  54 o 72.06794 4.808402 265.9148       33.72544 269.2000       59.72085 264.3765       40.86525 68.84399 9.083897 71.05620 5.929518 -2.212204      10.84787 
1 1 1 -7  2  55 o 20.56032 8.270868 15.52621       25.50036 9.017482       31.35135 28.25000       43.83452 20.69943 8.815312 25.96170 10.69269 -5.262272      13.85797 
1 1 1 -7  2  56 o 71.99104 4.728429 265.6233       33.13528 250.0478       40.96466 295.1000       56.35437 68.78621 6.148953 72.95380 8.024078 -4.167595      10.10918 
1 1 1 -7  2  57 o 31.57566 7.707551 56.47440       23.61003 80.80370       33.24150 31.70659       33.53973 36.95125 9.220800 25.15256 9.674044 11.79869       13.36452 
1 1 1 -7  2  58 o 42.45095 7.030781 98.86188       28.19271 102.5000       46.20908 96.70464       35.58270 39.96900 11.30705 40.49305 9.188803 -0.5240555     14.56995 
1 1 1 -7  2  59 o 19.57690 7.915647 13.63706       23.48849 7.259871       33.30463 19.94814       33.13154 20.71766 8.957991 22.75865 9.326344 -2.040985      12.93160 
1 1 1 -7  2  60 o 22.65527 8.195024 26.63648       23.34389 48.58075       32.77172 4.033190       33.26019 28.63544 9.759953 20.19951 8.839767 8.435928       13.16807 
1 1 1 -7  2  61 o 16.19081 7.426144 -11.30081      26.69797 5.429430       32.08223 -48.98000      48.14644 20.00775 8.720242 18.44604 8.898741 1.561703       12.45914 
1 1 1 -7  2  62 o 17.10659 7.635368 -2.550563      26.02107 -21.75000      44.67062 7.310008       32.01318 19.60368 9.198305 20.11809 8.740252 -0.5144043     12.68861 
1 1 1 -7  3  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  3  2  o 187.1906 5.500912 1719.197       100.6824 0.000000       0.000000 1719.197       100.6824 ?        ?        187.1906 5.500912 ?              ?        
1 1 1 -7  3  3  f 411.3820 7.754583 8308.501       312.2554 8475.117       447.8600 8150.891       435.5874 414.6785 11.04362 406.6870 10.95227 7.991516       15.55358 
1 1 1 -7  3  4  o 144.6464 3.764622 1025.389       53.25569 1144.000       98.20396 975.9749       63.38552 152.5838 6.590824 141.0670 4.596621 11.51680       8.035415 
1 1 1 -7  3  5  o 477.9294 8.954272 11220.41       418.8903 11327.46       596.4797 11116.24       588.4034 479.1374 12.72959 474.6625 12.67573 4.474884       17.96431 
1 1 1 -7  3  6  o 236.8081 4.703940 2747.028       109.0346 2867.660       158.4379 2638.498       150.2817 241.7466 6.702114 231.8853 6.627847 9.861282       9.425852 
1 1 1 -7  3  7  o 693.0303 12.88076 23646.64       873.7759 23939.62       1246.971 23364.00       1224.741 694.9564 18.34732 686.5956 18.23987 8.360779       25.87116 
1 1 1 -7  3  8  o 297.0821 6.628331 4325.380       192.7467 4461.585       241.0700 4084.000       320.9212 301.5056 8.176032 288.0646 11.40411 13.44104       14.03215 
1 1 1 -7  3  9  o 457.3497 9.910918 10264.57       443.6786 10222.50       542.0267 10350.00       772.3828 455.9430 12.15603 457.6813 17.27202 -1.738312      21.12089 
1 1 1 -7  3  10 o 160.8142 4.091462 1267.030       64.35114 1277.425       79.31081 1247.000       110.0923 161.4296 5.025421 159.3671 7.075152 2.062424       8.678286 
1 1 1 -7  3  11 o 426.2099 8.021721 8904.084       334.6550 8810.011       469.9147 9000.895       476.7055 423.4773 11.34682 428.0377 11.38801 -4.560455      16.07598 
1 1 1 -7  3  12 o 182.5753 3.885350 1631.990       69.43501 1654.583       98.86750 1610.000       97.53786 183.7191 5.504057 181.2248 5.504949 2.494370       7.784543 
1 1 1 -7  3  13 o 250.4064 4.975777 3070.665       121.9586 2983.170       169.4618 3164.674       175.6561 246.6386 7.026634 254.0336 7.071124 -7.394989      9.968670 
1 1 1 -7  3  14 f 60.22398 3.958660 178.3444       23.20647 239.0000       39.70303 146.8683       28.60079 69.60294 5.882630 54.49016 5.434740 15.11277       8.008853 
1 1 1 -7  3  15 o 421.3901 11.27624 8726.416       464.6913 0.000000       0.000000 8726.416       464.6913 ?        ?        421.3901 11.27624 ?              ?        
1 1 1 -7  3  16 o 80.50021 3.806050 317.9942       29.90516 307.0000       53.13694 323.0908       36.17863 78.84126 6.956816 81.09697 4.576222 -2.255707      8.327010 
1 1 1 -7  3  17 o 306.3688 6.865060 4600.509       205.8710 4762.000       365.5801 4525.514       249.1284 310.9960 12.03211 303.6360 8.390353 7.360016       14.66866 
1 1 1 -7  3  18 o 187.3864 4.031661 1719.507       73.94830 1729.413       104.8442 1709.700       104.3152 187.7841 5.710636 186.7096 5.714604 1.074554       8.078865 
1 1 1 -7  3  19 o 366.5491 6.990726 6588.930       250.8191 6521.759       352.1439 6658.098       357.3367 364.1772 9.887882 367.9594 9.930447 -3.782135      14.01371 
1 1 1 -7  3  20 o 264.7628 5.255512 3435.208       136.2004 3581.513       197.1808 3301.707       188.3550 270.0619 7.466414 259.2942 7.428927 10.76770       10.53263 
1 1 1 -7  3  21 o 183.3829 5.609989 1650.175       100.5810 1593.000       138.4883 1714.000       146.3207 179.9435 7.881799 186.6473 8.027761 -6.703751      11.25023 
1 1 1 -7  3  22 o 387.3907 8.516555 7377.358       322.9381 7298.741       392.5398 7542.000       568.0612 384.7568 10.43259 389.6356 14.92223 -4.878754      18.20747 
1 1 1 -7  3  23 o 241.5766 6.917639 2867.912       163.4073 2996.000       238.1746 2754.000       224.6075 246.3955 9.895571 236.2505 9.733666 10.14496       13.88044 
1 1 1 -7  3  24 o 276.9728 5.452077 3762.841       147.8105 3736.673       208.0108 3789.531       210.0758 275.5946 7.718574 277.5343 7.740651 -1.939728      10.93133 
1 1 1 -7  3  25 o 219.0522 4.509399 2352.334       96.68798 2355.016       136.8439 2349.662       136.6312 218.8996 6.393518 218.6508 6.390854 0.2487946      9.039916 
1 1 1 -7  3  26 o 197.6741 4.191592 1915.406       81.10267 1883.512       113.6728 1948.475       115.7483 195.7770 5.938695 199.1268 5.945188 -3.349747      8.403175 
1 1 1 -7  3  27 o 105.9526 3.267003 550.5040       33.84139 540.1261       47.73708 560.9885       47.98177 104.8396 4.663504 106.8550 4.598252 -2.015350      6.549213 
1 1 1 -7  3  28 o 211.6028 4.426143 2195.831       91.67545 2214.509       130.5212 2177.644       128.7934 212.1898 6.291150 210.4199 6.260137 1.769974       8.875127 
1 1 1 -7  3  29 o 147.8506 4.118055 1072.669       59.53855 1081.000       102.1016 1068.377       73.28918 148.0477 7.066104 147.4525 5.085482 0.5951996      8.705857 
1 1 1 -7  3  30 o 224.6326 5.381752 2478.220       118.3321 2530.692       146.5705 2380.000       200.5332 226.7020 6.612252 219.1674 9.369303 7.534637       11.46759 
1 1 1 -7  3  31 o 172.8777 5.450927 1469.936       92.12395 1540.000       132.8306 1405.000       127.8764 176.5251 7.706073 168.5814 7.770416 7.943665       10.94363 
1 1 1 -7  3  32 o 208.7093 5.095953 2140.139       104.1055 2090.110       125.7728 2249.000       185.5278 205.9627 6.245884 212.9236 8.921592 -6.960876      10.89063 
1 1 1 -7  3  33 o 85.44923 4.052695 359.1441       33.80017 373.1462       41.36228 331.0000       58.64100 87.00712 4.876235 81.52927 7.429755 5.477852       8.887009 
1 1 1 -7  3  34 f 188.3382 4.121173 1741.824       75.97407 1719.826       106.8448 1764.322       108.0525 186.7389 5.852599 189.1438 5.843295 -2.404831      8.270248 
1 1 1 -7  3  35 o 147.1140 4.154250 1064.351       59.76099 970.0000       97.57578 1120.987       75.59861 139.7665 7.156171 150.7915 5.129364 -11.02493      8.804611 
1 1 1 -7  3  36 o 179.2269 4.613767 1582.454       80.87306 1426.000       130.7761 1679.338       102.9107 169.0474 7.925457 184.3172 5.711008 -15.26981      9.768750 
1 1 1 -7  3  37 o 74.08815 3.706615 270.5370       26.79483 237.3539       37.34862 305.7302       38.46317 69.06645 5.571860 78.54995 5.028984 -9.483498      7.505752 
1 1 1 -7  3  38 o 144.7557 3.617505 1030.772       51.25676 1033.926       72.52627 1027.624       72.44978 144.5162 5.135271 144.0712 5.145786 0.4450226      7.269808 
1 1 1 -7  3  39 o 197.1125 5.010902 1924.165       96.60152 2014.000       173.2031 1883.602       116.3847 199.1638 8.907161 194.4600 6.122106 4.703781       10.80822 
1 1 1 -7  3  40 o 35.30619 7.822826 65.29336       26.32285 84.80000       50.13112 57.86795       30.92974 39.76249 11.93210 33.13294 9.207125 6.629551       15.07137 
1 1 1 -7  3  41 o 55.83212 4.512794 155.3504       24.45243 179.1345       35.13550 133.0108       34.05186 59.55834 6.113646 50.96844 7.011042 8.589897       9.302224 
1 1 1 -7  3  42 o 88.68819 4.139480 390.0688       35.83587 375.2453       43.91842 419.6000       61.98882 86.65403 5.201825 90.89954 7.021383 -4.245506      8.738353 
1 1 1 -7  3  43 o 12.33829 6.032990 -44.60651      24.21135 -56.00826      30.08513 -23.65000      40.78739 13.66385 6.690409 20.05213 9.190354 -6.388284      11.36768 
1 1 1 -7  3  44 o 18.40559 7.592026 6.417933       22.14243 33.29110       31.39063 -20.19482      31.23816 26.64862 9.519982 17.39525 7.998508 9.253366       12.43407 
1 1 1 -7  3  45 o 50.91209 5.088527 130.8143       25.01887 172.5280       35.55834 89.91772       35.20830 58.08438 6.358013 40.77441 9.057210 17.30997       11.06605 
1 1 1 -7  3  46 o 54.32321 4.835466 148.7680       25.44322 133.7275       35.89784 163.9507       36.06705 50.46519 7.494513 56.34015 6.669308 -5.874958      10.03232 
1 1 1 -7  3  47 o 70.70222 4.026267 249.7858       27.74871 262.8578       39.86580 237.5004       38.64775 71.79800 5.719849 68.16425 5.848925 3.633751       8.180867 
1 1 1 -7  3  48 o 42.39054 6.963699 95.25668       27.89205 58.46791       33.49920 178.4000       50.36056 32.28514 9.768514 56.80274 9.385101 -24.51760      13.54636 
1 1 1 -7  3  49 o 20.85736 8.337529 14.69568       25.74290 -4.019203      31.35760 53.38000       45.08342 19.16142 8.476605 31.39925 11.38436 -12.23782      14.19354 
1 1 1 -7  3  50 o 41.50283 6.771606 91.64441       26.56139 56.07000       44.37658 111.5040       33.15660 31.70598 11.31997 45.34663 7.748039 -13.64065      13.71765 
1 1 1 -7  3  51 o 26.81405 8.722404 39.14500       26.23482 65.96000       43.98811 24.34110       32.68395 33.53584 11.30861 24.13015 9.473821 9.405695       14.75256 
1 1 1 -7  3  52 o 62.70403 4.448736 199.4260       27.12745 209.2422       38.42690 189.6737       38.30142 63.15420 6.300203 59.88116 6.646406 3.273041       9.157907 
1 1 1 -7  3  53 o 38.03657 6.613981 77.71283       23.73114 72.42210       33.12258 83.29317       34.01710 35.26540 9.417953 37.95306 9.243846 -2.687664      13.19646 
1 1 1 -7  3  54 o 46.61447 6.337394 115.7588       28.16780 112.7239       34.72266 121.6000       48.17170 44.81314 8.218698 44.29593 11.12645 0.5172119      13.83274 
1 1 1 -7  3  55 o 54.40434 5.890522 155.9919       30.86869 217.2000       56.16019 129.4942       36.95114 60.88191 9.753107 48.01411 8.153682 12.86780       12.71242 
1 1 1 -7  3  56 o 42.41685 6.077033 95.81604       24.51119 80.85147       34.72748 110.6718       34.60100 36.83253 9.552713 44.20755 8.300999 -7.375019      12.65547 
1 1 1 -7  3  57 o 52.81411 5.656065 146.5896       28.78471 140.3160       35.61870 158.4000       48.87067 50.45772 7.434354 51.41233 10.07167 -0.9546089     12.51831 
1 1 1 -7  3  58 o 37.72566 6.882918 78.13074       24.48028 86.30704       34.35161 69.69348       34.89547 38.10693 9.294014 33.82400 9.906606 4.282932       13.58380 
1 1 1 -7  3  59 o 22.68820 8.829651 23.86353       28.18575 10.73364       33.60236 55.03000       51.77059 21.30352 9.101014 30.42551 11.92998 -9.121986      15.00509 
1 1 1 -7  3  60 o 34.26868 8.608904 68.89701       28.83587 93.26950       34.75139 15.02000       51.66828 39.62727 9.144917 24.96968 10.96981 14.65759       14.28168 
1 1 1 -7  3  61 o 22.67643 8.215624 27.13882       23.47331 23.23518       33.74239 30.79958       32.67585 23.22917 9.452503 24.52264 9.517191 -1.293468      13.41368 
1 1 1 -7  3  62 o 28.75310 8.733720 49.81133       26.74188 38.36000       45.95444 55.67463       32.88294 26.78653 10.98117 29.84495 9.768977 -3.058422      14.69759 
1 1 1 -7  4  1  o 462.1958 10.05426 10507.72       454.8649 9348.000       723.7045 11265.02       584.8165 433.5787 17.08591 477.7446 12.51676 -44.16583      21.18012 
1 1 1 -7  4  2  o 381.9721 7.237221 7158.954       270.5887 7512.335       395.8745 6849.080       370.7048 390.6276 10.36268 373.0153 10.16249 17.61234       14.51418 
1 1 1 -7  4  3  o 189.2947 4.531235 1755.393       83.95785 1947.000       155.0999 1675.977       99.85234 198.9976 7.978820 184.8375 5.525222 14.16011       9.705135 
1 1 1 -7  4  4  o 280.0440 5.436141 3843.238       149.0127 3914.964       213.4118 3775.000       208.1580 282.3517 7.729128 277.2611 7.677436 5.090637       10.89415 
1 1 1 -7  4  5  o 384.1497 7.268095 7237.728       273.2922 7579.047       399.0395 6936.195       375.0611 392.5313 10.39484 375.5364 10.21285 16.99484       14.57241 
1 1 1 -7  4  6  o 263.5882 5.158323 3403.665       133.0885 3455.784       190.0689 3353.530       186.4155 265.3683 7.324387 261.4129 7.292449 3.955444       10.33569 
1 1 1 -7  4  7  o 216.5087 5.047137 2296.045       106.9613 2382.362       134.0847 2145.000       177.3715 220.4068 6.221321 208.9195 8.692573 11.48723       10.68951 
1 1 1 -7  4  8  o 147.3949 3.848619 1064.435       55.47815 1093.205       69.03999 1012.000       93.20670 149.3337 4.729167 143.5543 6.651303 5.779373       8.161180 
1 1 1 -7  4  9  o 405.3444 8.832619 8057.336       350.4450 8145.137       432.7254 7890.000       597.3874 407.1950 10.86656 400.0322 15.28462 7.162811       18.75371 
1 1 1 -7  4  10 o 446.7425 8.385998 9784.195       366.7062 9804.643       519.3531 9763.866       517.8518 446.6717 11.88925 445.7427 11.87961 0.9289551      16.80713 
1 1 1 -7  4  11 o 312.1111 6.008531 4771.636       183.5624 4771.096       259.5800 4772.175       259.6129 311.8432 8.512068 311.8784 8.512182 -0.3527832E-01 12.03796 
1 1 1 -7  4  12 o 412.3391 8.979674 8337.479       362.4276 8237.000       621.7040 8389.203       446.0637 408.7560 15.56710 413.2640 11.03702 -4.508057      19.08273 
1 1 1 -7  4  13 o 142.5042 3.859662 994.9747       53.78770 918.7000       88.23182 1040.086       67.85419 136.7747 6.609992 145.6601 4.765570 -8.885406      8.148782 
1 1 1 -7  4  14 o 124.3332 3.665139 757.4951       44.55634 722.9000       74.00389 777.1670       55.80460 121.3124 6.253330 125.8987 4.535789 -4.586311      7.725122 
1 1 1 -7  4  15 o 202.4891 4.218812 2007.672       83.61763 2009.690       118.3071 2005.659       118.1993 202.4528 5.976634 202.2494 5.977208 0.2033691      8.452643 
1 1 1 -7  4  16 o 310.4614 6.944745 4724.013       211.0426 4833.000       371.7426 4672.182       256.3600 313.3311 12.14383 308.5281 8.496949 4.802948       14.82129 
1 1 1 -7  4  17 o 121.8364 3.878850 727.5834       46.19897 714.4000       81.04226 733.9300       56.23030 120.5283 6.898170 122.3241 4.705033 -1.795792      8.349975 
1 1 1 -7  4  18 o 565.7158 12.21660 15750.74       676.4796 15710.00       1170.101 15771.19       829.0809 561.4028 21.33210 565.0896 15.00229 -3.686829      26.07925 
1 1 1 -7  4  19 o 486.1819 9.127842 11609.87       434.3833 11641.61       615.4628 11578.37       613.1652 485.7984 12.95470 484.4800 12.94150 1.318359       18.31138 
1 1 1 -7  4  20 f 205.3854 4.958570 2066.980       99.68556 2082.244       122.4600 2037.000       171.6262 205.9911 6.080165 203.4615 8.637426 2.529572       10.56284 
1 1 1 -7  4  21 o 127.1914 3.883981 793.1607       48.29828 852.0000       86.64423 766.6353       58.17511 131.6025 6.748728 124.9876 4.763867 6.614891       8.260736 
1 1 1 -7  4  22 f 165.3149 4.321874 1340.021       69.87432 1293.006       83.95456 1446.000       126.0486 162.3104 5.291423 171.4156 7.530828 -9.105179      9.203940 
1 1 1 -7  4  23 o 144.7624 4.903369 1028.533       69.37919 923.2000       92.06054 1167.000       105.5512 136.9435 6.890065 153.9920 7.021060 -17.04852      9.837088 
1 1 1 -7  4  24 o 176.6319 3.879531 1528.671       67.07407 1519.057       94.58087 1538.398       95.13567 175.8882 5.500401 177.0058 5.497644 -1.117538      7.776793 
1 1 1 -7  4  25 o 219.1177 4.508554 2353.857       96.69875 2290.538       134.5385 2421.523       139.0800 215.8717 6.374123 221.9583 6.408286 -6.086655      9.038560 
1 1 1 -7  4  26 o 163.3710 3.714083 1307.906       59.39267 1261.471       82.45853 1357.968       85.61841 160.2567 5.263842 166.2792 5.267095 -6.022522      7.446497 
1 1 1 -7  4  27 o 135.2548 3.426583 896.9371       45.32839 873.7871       63.70584 920.6750       64.50977 133.3719 4.888145 136.9149 4.821107 -3.543030      6.865642 
1 1 1 -7  4  28 o 228.6046 4.687120 2563.578       104.8811 2564.222       148.4194 2562.936       148.2293 228.2721 6.649587 228.2161 6.642691 0.5604553E-01  9.399061 
1 1 1 -7  4  29 o 112.8951 3.360580 625.1156       37.09470 654.1710       53.32729 597.8767       51.63338 115.3719 4.732233 110.2811 4.794709 5.090782       6.736710 
1 1 1 -7  4  30 o 130.3165 3.966112 833.5235       50.53181 907.4000       87.66955 796.7692       61.83720 135.6376 6.623348 127.3029 4.972115 8.334663       8.281948 
1 1 1 -7  4  31 o 191.5577 4.833117 1802.678       90.54951 1840.292       112.0834 1732.000       153.6424 193.3637 5.928894 187.0437 8.413467 6.319992       10.29263 
1 1 1 -7  4  32 o 213.9354 5.190070 2249.243       108.6831 2190.651       131.0998 2378.000       194.3431 210.8186 6.360393 218.8608 9.091628 -8.042206      11.09560 
1 1 1 -7  4  33 o 52.30892 4.508054 135.3744       22.85690 142.0538       32.69864 128.9921       31.96298 53.31249 6.393441 50.73144 6.592475 2.581055       9.183508 
1 1 1 -7  4  34 o 161.2303 4.353561 1278.060       68.64359 1347.000       119.7734 1244.341       83.76511 164.8122 7.443673 158.8938 5.393617 5.918396       9.192353 
1 1 1 -7  4  35 o 108.4428 3.819557 578.2820       40.48006 525.4000       66.24093 609.8016       51.14020 102.8627 6.614088 111.2278 4.707888 -8.365105      8.118520 
1 1 1 -7  4  36 o 127.2742 3.476662 796.1317       43.27153 737.2264       59.69508 861.3538       62.81436 122.1942 5.001503 132.1270 4.865231 -9.932770      6.977499 
1 1 1 -7  4  37 o 113.2953 3.385565 631.2277       37.50263 597.7246       51.99381 667.5605       54.14503 109.9675 4.842249 116.2425 4.768817 -6.274971      6.796248 
1 1 1 -7  4  38 o 45.02914 5.157277 101.5576       22.32144 100.9756       31.36657 102.1546       31.77191 44.35803 7.490650 44.60809 7.545280 -0.2500534     10.63208 
1 1 1 -7  4  39 o 12.36679 5.927606 -28.71074      20.58034 -33.66230      29.01498 -23.69725      29.19586 15.28367 7.244333 16.43015 7.617563 -1.146475      10.51226 
1 1 1 -7  4  40 o 81.38276 4.310606 328.2915       34.21569 294.4000       61.59296 343.4182       41.14896 75.69408 8.457466 83.03870 5.086994 -7.344627      9.869460 
1 1 1 -7  4  41 o 25.96479 8.634869 33.12461       25.65687 42.64000       48.33944 29.39269       30.27291 31.30102 11.71101 25.75706 9.330220 5.543955       14.97333 
1 1 1 -7  4  42 o 45.45947 5.343720 104.3765       23.32437 120.1718       33.65390 89.77630       32.35567 48.20406 7.365983 41.23956 8.303081 6.964500       11.09950 
1 1 1 -7  4  43 o 12.66884 6.172244 -42.93285      24.69247 -60.43673      30.21746 -7.754000      42.83823 13.39486 6.588192 22.42342 9.914165 -9.028562      11.90357 
1 1 1 -7  4  44 o 13.96950 6.629270 -28.15170      24.43736 4.733698       30.01679 -92.79000      42.08310 20.55245 8.683660 15.19307 7.528137 5.359387       11.49255 
1 1 1 -7  4  45 o 38.95506 6.467461 78.72736       23.79619 43.95427       33.18935 115.5133       34.13641 29.26884 9.822657 46.88911 7.705118 -17.62028      12.48413 
1 1 1 -7  4  46 o 35.44718 6.956504 66.35693       23.27447 58.55268       33.19315 73.90501       32.64387 32.70599 9.684016 36.70872 9.124459 -4.002728      13.30548 
1 1 1 -7  4  47 o 72.62559 4.609238 265.2708       32.59706 270.7566       39.86345 254.2000       56.62960 72.90023 5.630095 68.88208 8.584884 4.018150       10.26636 
1 1 1 -7  4  48 o 24.13934 8.102831 29.93564       22.58461 30.06392       31.02368 29.79100       32.94145 25.30257 9.398518 25.53472 9.643116 -0.2321472     13.46558 
1 1 1 -7  4  49 o 28.07646 8.436871 43.23357       25.05045 23.84000       42.67220 53.43136       30.94347 25.94519 10.60267 30.87962 9.397891 -4.934429      14.16817 
1 1 1 -7  4  50 o 76.78112 4.445470 297.6521       33.26729 251.1000       55.39059 323.9189       41.60732 67.79156 8.536301 79.55408 5.374745 -11.76251      10.08743 
1 1 1 -7  4  51 o 43.46723 5.766712 98.52953       23.93085 82.01025       33.11542 116.5855       34.62144 37.99636 9.036500 46.16898 7.947730 -8.172626      12.03432 
1 1 1 -7  4  52 o 73.40951 4.023620 271.3688       28.80127 258.2516       40.30278 285.0588       41.17347 70.48822 5.895279 74.20588 5.712501 -3.717659      8.208958 
1 1 1 -7  4  53 o 72.81639 3.984406 267.2249       28.29052 282.2438       40.56598 253.0036       39.47403 73.77652 5.660670 69.70635 5.838997 4.070168       8.132470 
1 1 1 -7  4  54 o 26.70888 8.900755 39.93143       27.25834 46.57000       48.60957 36.88640       32.92159 29.43457 11.55447 26.34228 9.700285 3.092299       15.08646 
1 1 1 -7  4  55 o 59.35003 4.543369 180.2406       26.19334 191.9017       36.70187 168.1357       37.39377 60.05463 6.339146 55.69157 7.014971 4.363064       9.454871 
1 1 1 -7  4  56 o 30.92679 8.759987 55.64662       27.71786 96.75000       50.22472 37.64518       33.23781 38.45936 12.02077 26.42881 9.744225 12.03055       15.47414 
1 1 1 -7  4  57 o 51.06737 5.197855 135.7384       25.62034 102.2523       37.15919 166.0810       35.37209 41.57765 9.357249 55.54511 6.637121 -13.96746      11.47212 
1 1 1 -7  4  58 o 45.57850 6.609332 112.4311       28.62728 111.5995       35.82639 113.9000       47.61239 44.00373 8.626276 42.16879 11.30500 1.834946       14.22025 
1 1 1 -7  4  59 o 41.53975 8.888413 101.1350       35.04830 101.1350       35.04830 0.000000       0.000000 41.53975 8.888413 ?        ?        ?              ?        
1 1 1 -7  4  60 o 43.84728 5.979786 102.7673       24.99652 89.19952       35.45628 116.1742       35.24551 38.45409 9.480825 45.02813 8.302565 -6.574043      12.60233 
1 1 1 -7  4  61 o 16.22396 7.394634 -9.071462      25.92992 -21.47000      44.03965 -2.492591      32.08000 19.63293 9.186610 18.85953 8.443497 0.7733994      12.47744 
1 1 1 -7  4  62 o 33.91564 7.453606 66.05637       24.06767 73.09528       34.19130 59.14326       33.88443 34.01201 9.760714 30.58142 9.910175 3.430593       13.90982 
1 1 1 -7  5  1  o 353.5683 9.547717 6146.684       330.1272 6617.000       491.1186 5759.000       445.8922 365.9605 13.73464 341.4628 13.36657 24.49771       19.16522 
1 1 1 -7  5  2  o 248.4679 4.898358 3024.509       119.1316 3103.441       171.6273 2951.116       165.4950 251.4624 6.979550 245.2165 6.901784 6.245941       9.815740 
1 1 1 -7  5  3  o 274.9870 5.351237 3705.096       144.0365 3830.716       208.2570 3589.902       199.4266 279.3415 7.623670 270.4211 7.541549 8.920441       10.72359 
1 1 1 -7  5  4  o 216.9901 4.373519 2306.048       92.89174 2275.539       130.3768 2337.503       132.3837 215.3837 6.190590 218.2980 6.201816 -2.914337      8.762758 
1 1 1 -7  5  5  o 249.0473 4.912120 3038.091       119.7449 3139.087       172.9512 2945.100       165.9551 252.9491 6.991991 245.0083 6.926914 7.940887       9.842259 
1 1 1 -7  5  6  o 497.4217 10.75434 12153.11       523.6183 12497.96       654.5147 11540.00       872.7167 503.7824 13.28463 482.6733 18.50628 21.10910       22.78077 
1 1 1 -7  5  7  o 444.4734 9.644011 9694.065       419.5751 9854.664       520.1716 9395.000       709.8382 447.6813 11.88107 436.1228 16.65880 11.55853       20.46156 
1 1 1 -7  5  8  o 253.2039 5.758235 3140.423       142.7138 3161.823       175.7547 3099.000       244.5198 253.9116 7.078515 251.1185 9.967649 2.793106       12.22536 
1 1 1 -7  5  9  o 495.7766 9.267672 12054.50       449.7414 12065.39       636.4734 12043.63       635.5883 495.3107 13.13954 494.8646 13.13310 0.4460754      18.57756 
1 1 1 -7  5  10 o 148.4080 3.390998 1078.225       49.25962 1076.154       69.54504 1080.311       69.78279 148.1673 4.801549 148.4532 4.808681 -0.2858582     6.795461 
1 1 1 -7  5  11 o 315.8773 7.008839 4889.080       216.7059 4848.000       372.2834 4910.132       266.5122 313.9445 12.13762 316.3445 8.614998 -2.399963      14.88422 
1 1 1 -7  5  12 o 525.7555 11.33865 13571.55       583.5142 13320.00       996.6526 13702.75       719.7738 518.8437 19.66018 527.6782 13.94767 -8.834534      24.10518 
1 1 1 -7  5  13 o 69.65260 3.185286 237.9967       21.65913 241.8543       30.81056 234.2279       30.45382 70.13418 4.512050 69.01335 4.533293 1.120827       6.396041 
1 1 1 -7  5  14 f 263.7392 5.197643 3406.761       134.1799 3338.454       187.1339 3479.040       192.4977 260.8850 7.335480 266.3212 7.391521 -5.436188      10.41364 
1 1 1 -7  5  15 o 373.4542 7.097861 6835.604       259.4604 6813.506       365.8671 6857.959       368.0070 372.4471 10.04498 373.6575 10.07100 -1.210419      14.22416 
1 1 1 -7  5  16 o 166.3001 3.724430 1354.091       60.62595 1329.462       84.75210 1379.899       86.75921 164.6617 5.265146 167.7577 5.290176 -3.096054      7.463760 
1 1 1 -7  5  17 o 188.7047 4.054862 1743.773       74.89712 1715.659       104.8540 1773.061       107.0203 187.0364 5.734107 190.1409 5.756848 -3.104492      8.125349 
1 1 1 -7  5  18 o 179.0680 4.556507 1571.641       79.80006 1561.000       138.9064 1576.883       97.49397 178.1878 7.984405 179.3019 5.561759 -1.114090      9.730565 
1 1 1 -7  5  19 o 289.8574 8.056368 4127.194       228.3539 4002.000       316.5701 4263.000       329.7131 284.8982 11.37491 294.0362 11.47795 -9.138000      16.15958 
1 1 1 -7  5  20 o 49.26834 6.391443 121.0324       30.09714 0.000000       0.000000 121.0324       30.09714 ?        ?        49.26834 6.391443 ?              ?        
1 1 1 -7  5  21 o 84.79975 3.678315 352.8781       30.45899 285.4000       48.32909 397.3418       39.23109 75.98736 6.561953 89.94056 4.470250 -13.95320      7.939922 
1 1 1 -7  5  22 o 275.0610 5.415421 3710.039       145.8033 3608.349       202.3546 3819.837       210.2671 270.8987 7.638952 278.7177 7.714691 -7.819031      10.85680 
1 1 1 -7  5  23 o 159.1261 5.238086 1243.052       81.47570 1454.000       124.9471 1087.000       107.4667 171.8587 7.445257 148.5526 7.414162 23.30617       10.50722 
1 1 1 -7  5  24 o 383.1870 8.444751 7226.603       316.7406 6978.970       378.2270 7808.000       579.5414 375.9185 10.28872 395.6607 14.99138 -19.74216      18.18239 
1 1 1 -7  5  25 o 234.9527 4.760790 2707.044       109.4878 2622.081       151.6629 2799.517       158.2236 230.9140 6.717144 238.5945 6.781807 -7.680511      9.545309 
1 1 1 -7  5  26 o 211.2201 4.396003 2187.453       90.88650 2172.759       128.0702 2202.361       129.0007 210.2251 6.230698 211.6531 6.233541 -1.427979      8.813548 
1 1 1 -7  5  27 o 242.0180 4.888233 2873.513       115.7993 2853.796       163.1538 2893.527       164.3829 240.7973 6.929333 242.4682 6.933327 -1.670975      9.802382 
1 1 1 -7  5  28 o 161.6695 3.728399 1281.085       59.00064 1262.218       82.87719 1300.473       84.01344 160.2676 5.290279 162.6817 5.282995 -2.414032      7.476436 
1 1 1 -7  5  29 o 263.0084 5.256663 3396.224       135.3275 3386.903       191.2546 3405.571       191.5096 262.1212 7.461835 262.8458 7.451122 -0.7246399     10.54506 
1 1 1 -7  5  30 o 176.8413 4.590040 1535.667       79.38514 1552.894       97.60466 1502.000       136.4480 177.6836 5.619054 174.2928 8.019494 3.390793       9.792143 
1 1 1 -7  5  31 o 175.8065 5.539691 1520.587       95.21039 1622.000       137.4343 1427.000       132.0243 181.1312 7.769744 169.8297 7.964256 11.30145       11.12647 
1 1 1 -7  5  32 o 179.4119 4.670963 1581.864       81.95859 1540.841       99.39592 1669.000       144.8634 176.8811 5.748549 183.5470 8.082983 -6.665924      9.918691 
1 1 1 -7  5  33 o 151.1479 5.084922 1124.570       75.12318 1073.000       102.6674 1184.000       110.2140 147.2226 7.145803 154.6285 7.302467 -7.405914      10.21707 
1 1 1 -7  5  34 o 55.13454 4.771091 150.5917       25.49510 144.5000       40.61921 154.5516       32.74956 53.40763 8.017324 55.64862 6.112885 -2.240990      10.08191 
1 1 1 -7  5  35 o 138.4629 3.530541 941.8387       47.81086 950.5825       68.04964 933.3148       67.18813 138.8403 5.015544 137.5756 4.997666 1.264755       7.080420 
1 1 1 -7  5  36 o 35.43641 6.182974 63.90700       20.66672 22.93661       28.63242 108.4675       29.86057 24.23811 9.024066 46.28823 6.792516 -22.05011      11.29478 
1 1 1 -7  5  37 o 74.89289 3.628821 276.4299       26.52271 248.3206       36.85306 306.6328       38.20078 70.67313 5.367511 78.65334 4.987598 -7.980202      7.327095 
1 1 1 -7  5  38 o 151.6080 3.686857 1131.258       54.71227 1107.856       76.81672 1155.353       77.94527 149.5103 5.257202 152.6978 5.222643 -3.187515      7.410410 
1 1 1 -7  5  39 o 48.65630 4.856170 118.2916       22.81948 103.0987       32.11534 133.7840       32.43019 44.71155 7.610540 51.35686 6.603939 -6.645317      10.07633 
1 1 1 -7  5  40 o 73.74206 3.720453 268.8440       26.76776 250.1802       37.50028 288.2317       38.22065 70.71542 5.459945 76.01390 5.167598 -5.298477      7.517650 
1 1 1 -7  5  41 o 67.12514 4.761971 224.6404       31.08489 246.7000       56.64951 215.1368       37.18270 69.01455 8.569942 65.37025 5.873604 3.644295       10.38957 
1 1 1 -7  5  42 o 50.83262 5.868839 130.9760       28.66565 83.30000       52.57093 151.1493       34.19674 39.11707 12.30868 54.43584 6.549315 -15.31878      13.94264 
1 1 1 -7  5  43 f 68.22020 4.033778 231.2384       26.81565 249.4766       38.45287 213.9719       37.41455 70.38206 5.628494 65.04248 5.942320 5.339577       8.184811 
1 1 1 -7  5  44 o 27.26577 8.645396 38.42192       25.89001 46.93020       31.99030 22.27000       44.07676 29.97048 9.621911 26.80153 10.84100 3.168947       14.49512 
1 1 1 -7  5  45 o 86.72503 4.240739 374.7195       35.89000 376.4258       44.16103 371.4000       61.59553 86.52367 5.238872 84.77598 7.500134 1.747696       9.148650 
1 1 1 -7  5  46 o 29.03368 8.680202 45.27814       26.56700 52.24059       32.32629 30.79000       46.63168 31.05205 9.634227 28.26676 11.24724 2.785292       14.80941 
1 1 1 -7  5  47 o 49.12773 5.192501 122.9952       24.59208 119.8356       34.55463 126.2381       35.00669 47.40326 7.712031 48.73995 7.584306 -1.336685      10.81652 
1 1 1 -7  5  48 o 55.88732 5.264230 159.5439       28.45827 134.4000       48.05747 173.1226       35.31628 48.42475 10.44606 57.70077 6.358265 -9.276020      12.22897 
1 1 1 -7  5  49 o 76.10872 4.429717 292.0469       32.85758 289.6000       57.09042 293.2589       40.17916 73.37344 8.082856 75.69868 5.459256 -2.325233      9.753771 
1 1 1 -7  5  50 o 25.56916 8.034405 35.31469       22.40668 17.51692       31.75824 52.95549       31.61788 22.68349 9.192459 30.61401 9.532867 -7.930517      13.24299 
1 1 1 -7  5  51 o 49.25235 5.230457 124.8839       24.83071 114.6796       34.59655 135.7247       35.65943 45.71932 8.023335 50.14339 7.494948 -4.424068      10.97944 
1 1 1 -7  5  52 o 30.89571 7.593757 52.92322       22.79918 34.34168       32.24239 71.50597       32.24344 25.99239 9.594758 35.19527 9.242694 -9.202873      13.32242 
1 1 1 -7  5  53 o 46.93912 6.357477 116.9371       28.45942 122.8000       51.47641 114.3561       34.15383 44.29448 11.70036 45.45180 7.967119 -1.157322      14.15533 
1 1 1 -7  5  54 o 38.41247 6.441554 79.45073       23.36310 61.12363       32.29883 99.56326       33.83554 32.12214 9.563053 41.76527 8.564312 -9.643135      12.83742 
1 1 1 -7  5  55 o 22.16433 8.042395 24.70351       22.50523 40.32817       31.16824 7.683910       32.52981 26.86894 9.497610 20.72676 8.906525 6.142183       13.02040 
1 1 1 -7  5  56 o 30.20552 7.698487 51.63535       22.82497 76.67874       32.37349 26.88105       32.18608 36.05685 9.156941 24.04736 9.413234 12.00948       13.13235 
1 1 1 -7  5  57 o 20.42541 8.307984 14.66403       26.05257 -30.10000      47.15529 34.33085       31.25596 19.85817 9.359050 25.42887 9.435858 -5.570705      13.29012 
1 1 1 -7  5  58 o 20.71705 9.060307 4.558619       34.89008 12.26000       48.92810 -3.409000      49.76664 24.36782 10.69113 22.80161 10.33425 1.566219       14.86933 
1 1 1 -7  5  59 o 45.43723 6.629109 112.1739       28.61496 90.29753       35.55443 152.4000       48.21250 38.74185 9.459282 50.00383 10.19636 -11.26198      13.90841 
1 1 1 -7  5  60 o 17.65929 8.055874 -9.976796      30.86081 23.82000       44.07242 -42.49000      43.22739 24.94421 10.52981 17.83770 8.560659 7.106508       13.57062 
1 1 1 -7  5  61 o 19.31031 7.810475 13.77427       22.87711 27.82221       32.88969 0.6070737      31.84198 23.91111 9.467708 19.20616 8.516784 4.704956       12.73472 
1 1 1 -7  5  62 f 27.74935 8.206929 45.59079       23.85079 59.63336       34.40876 32.60393       33.09008 30.66301 9.990260 24.67526 9.577076 5.987753       13.83928 
1 1 1 -7  6  1  o 381.4249 7.222080 7133.396       269.6358 7343.302       389.1051 6939.481       373.9892 386.4930 10.29452 375.7270 10.17843 10.76602       14.47679 
1 1 1 -7  6  2  o 211.9250 4.294436 2199.469       89.08295 2209.552       126.6729 2189.603       125.3029 212.2538 6.103420 211.2955 6.064766 0.9582977      8.604250 
1 1 1 -7  6  3  o 261.5475 7.277116 3356.392       186.1203 3571.000       274.1859 3173.000       253.4617 269.4371 10.41598 253.9805 10.21628 15.45656       14.58990 
1 1 1 -7  6  4  o 420.7023 7.924878 8679.125       326.3425 9072.375       476.3145 8331.208       448.0200 429.5404 11.33870 411.6441 11.12930 17.89633       15.88797 
1 1 1 -7  6  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  6  6  o 381.5682 8.342435 7138.970       311.5812 7448.505       392.9816 6615.000       511.2935 389.4238 10.31873 366.3621 14.28521 23.06165       17.62224 
1 1 1 -7  6  7  f 344.7540 7.589567 5825.444       256.1135 6034.085       321.4865 5463.000       423.7237 350.6145 9.375978 333.1342 13.01950 17.48026       16.04420 
1 1 1 -7  6  8  o 662.2921 12.29828 21545.70       797.2601 22439.33       1160.845 20747.86       1096.865 674.3763 17.60100 648.5348 17.29424 25.84155       24.67561 
1 1 1 -7  6  9  o 563.0798 10.49039 15558.02       578.1863 16169.96       840.3887 15008.02       796.7159 573.0725 14.99470 552.1373 14.75501 20.93518       21.03690 
1 1 1 -7  6  10 o 426.0830 9.260563 8903.542       386.2227 9071.000       676.6538 8822.622       470.3720 428.8705 16.14770 423.7723 11.34995 5.098206       19.73751 
1 1 1 -7  6  11 o 269.2164 6.083726 3550.402       160.3162 3536.000       275.8044 3557.751       197.0183 268.2203 10.52561 269.3283 7.480647 -1.108063      12.91312 
1 1 1 -7  6  12 o 242.5605 4.835988 2881.220       114.8184 2877.968       162.0912 2884.496       162.6658 242.2547 6.842524 242.5283 6.859052 -0.2736664     9.688484 
1 1 1 -7  6  13 o 303.4244 5.867942 4509.983       174.2780 4539.028       247.3830 4481.365       245.5597 304.1465 8.317422 302.2077 8.309171 1.938782       11.75678 
1 1 1 -7  6  14 o 387.9014 7.350623 7375.266       279.0948 7274.498       390.6991 7480.269       398.8256 384.8137 10.38204 390.2125 10.45122 -5.398743      14.73142 
1 1 1 -7  6  15 o 170.5215 3.768812 1423.703       62.90566 1452.676       89.76540 1395.744       88.17987 172.1286 5.334259 168.7180 5.346263 3.410629       7.552275 
1 1 1 -7  6  16 o 396.6830 7.513444 7715.646       291.7352 7562.511       406.5498 7878.209       418.8782 392.2241 10.59916 400.3162 10.69961 -8.092102      15.06067 
1 1 1 -7  6  17 o 486.0562 9.119280 11598.66       433.8636 11418.02       606.2030 11788.36       621.2243 481.3409 12.87803 489.0611 12.98864 -7.720154      18.29067 
1 1 1 -7  6  18 o 347.2635 7.686099 5916.871       261.2590 5838.168       316.8575 6084.000       461.7385 344.6037 9.402513 350.9665 13.46575 -6.362793      16.42357 
1 1 1 -7  6  19 o 170.9998 4.418801 1433.396       73.89964 1389.000       126.8603 1456.200       90.91861 168.0473 7.733106 172.2879 5.397939 -4.240601      9.430731 
1 1 1 -7  6  20 o 172.4706 5.422758 1459.601       91.43270 0.000000       0.000000 1459.601       91.43270 ?        ?        172.4706 5.422758 ?              ?        
1 1 1 -7  6  21 o 242.5207 5.649635 2884.274       134.1144 3107.000       244.2737 2788.166       160.4622 250.9917 9.962647 238.2323 6.888463 12.75948       12.11220 
1 1 1 -7  6  22 o 178.0094 3.886274 1552.449       67.71464 1500.063       93.84084 1609.358       97.80825 174.8033 5.491298 181.0621 5.525227 -6.258804      7.789896 
1 1 1 -7  6  23 o 160.7029 4.259892 1266.543       66.94921 1331.000       119.7538 1237.238       80.74641 164.4005 7.461283 158.7505 5.203421 5.649994       9.096501 
1 1 1 -7  6  24 o 183.4741 4.599676 1651.407       82.54022 1622.220       99.69848 1715.000       147.1626 181.7392 5.611182 186.5213 8.079677 -4.782150      9.836999 
1 1 1 -7  6  25 o 224.4772 5.318309 2472.423       116.8562 2376.518       139.3198 2700.000       214.6131 219.8509 6.481159 233.7686 9.398317 -13.91769      11.41638 
1 1 1 -7  6  26 o 184.3217 4.629349 1667.246       83.45624 1649.751       101.3916 1704.000       146.9599 183.2293 5.660071 185.8324 8.098696 -2.603149      9.880550 
1 1 1 -7  6  27 o 283.1212 5.571115 3935.591       154.3905 3800.521       213.4117 4083.904       223.6289 277.6727 7.859883 287.8245 7.945288 -10.15179      11.17611 
1 1 1 -7  6  28 o 183.4022 4.016616 1649.113       72.10594 1640.423       101.8017 1657.862       102.1456 182.6675 5.700587 183.6384 5.689500 -0.9709015     8.054011 
1 1 1 -7  6  29 o 129.4516 3.988242 822.4716       50.47505 829.2345       62.09540 809.3000       86.65912 129.8908 4.892736 128.0419 6.940365 1.848892       8.491615 
1 1 1 -7  6  30 o 145.7516 3.609807 1041.477       51.49958 1055.272       73.09225 1027.877       72.57333 146.5001 5.104948 144.5795 5.136350 1.920563       7.241725 
1 1 1 -7  6  31 o 152.5275 3.646986 1140.786       54.44881 1085.099       75.12746 1202.401       79.02479 148.5251 5.175553 156.3569 5.170561 -7.831833      7.315808 
1 1 1 -7  6  32 f 229.9622 5.458386 2600.825       122.8646 2773.000       218.8241 2521.556       148.4783 236.1101 9.487672 226.0499 6.717915 10.06020       11.62524 
1 1 1 -7  6  33 o 106.4059 4.584512 557.3446       47.63705 533.9000       64.43757 585.6000       70.74063 103.8580 6.369228 108.7290 6.679106 -4.871010      9.229167 
1 1 1 -7  6  34 o 101.5759 3.387555 506.8162       33.63374 516.3649       47.13169 496.9077       48.01108 102.3548 4.717020 100.3754 4.901433 1.979439       6.802524 
1 1 1 -7  6  35 o 67.27610 4.338796 223.5152       28.41936 195.2959       34.56463 282.4000       49.92990 62.65174 5.698569 75.19915 6.858722 -12.54741      8.917160 
1 1 1 -7  6  36 o 40.46149 5.477076 82.30075       21.13536 83.35780       29.69707 81.21579       30.08656 40.23194 7.822912 39.65845 8.026334 0.5734825      11.20803 
1 1 1 -7  6  37 o 20.05386 7.469536 15.54453       19.62157 11.42725       27.89995 19.57394       27.60065 21.50221 8.650742 23.16253 8.808531 -1.660326      12.34607 
1 1 1 -7  6  38 o 75.35229 3.623001 280.0843       26.64384 244.0515       37.10675 318.4333       38.28083 69.96558 5.461533 80.10494 4.905730 -10.13936      7.341289 
1 1 1 -7  6  39 o 101.4844 3.426762 507.5561       33.99117 503.0261       47.80594 512.1879       48.34006 100.6779 4.865517 101.5898 4.875514 -0.9118805     6.887953 
1 1 1 -7  6  40 o 67.11726 3.908840 223.1088       25.56848 238.5829       36.00603 207.3684       36.31451 69.06030 5.368626 64.22557 5.840324 4.834724       7.932940 
1 1 1 -7  6  41 o 47.69860 5.003743 114.2580       23.01447 129.4578       32.38070 98.74103       32.71666 50.31621 6.744332 43.45194 7.986468 6.864273       10.45321 
1 1 1 -7  6  42 o 46.16495 5.223194 107.5253       23.18821 107.0378       32.56341 108.0268       33.02767 45.33098 7.608141 45.51762 7.686400 -0.1866417     10.81502 
1 1 1 -7  6  43 o 29.23740 8.614269 45.06154       26.31841 4.171000       48.54635 62.08176       31.32044 25.28168 10.87235 33.98053 9.194894 -8.698853      14.23917 
1 1 1 -7  6  44 o 37.01142 7.777769 72.68071       27.28042 38.74000       49.65726 87.35257       32.64862 30.37719 11.74793 40.39874 8.524767 -10.02156      14.51501 
1 1 1 -7  6  45 o 27.36127 8.651479 39.10230       25.94249 29.88317       31.29612 59.35000       46.38027 25.70793 9.459312 33.54364 11.60467 -7.835718      14.97154 
1 1 1 -7  6  46 o 31.88915 8.409039 55.31606       26.61836 58.08919       32.58135 49.75000       46.15920 32.50810 9.586338 31.41465 11.49973 1.093452       14.97136 
1 1 1 -7  6  47 o 57.48086 6.366723 171.2143       35.22174 132.6000       48.91320 212.8000       50.76026 48.17743 10.65533 62.90755 8.457644 -14.73013      13.60396 
1 1 1 -7  6  48 o 74.15772 4.458253 276.9740       32.21196 227.1000       54.47110 303.7945       39.94497 64.51009 8.860274 77.22479 5.316891 -12.71470      10.33314 
1 1 1 -7  6  49 o 75.80107 3.885159 287.8839       28.73023 258.7644       40.58551 317.1333       40.67601 70.78262 5.911788 78.79427 5.304885 -8.011642      7.942987 
1 1 1 -7  6  50 o 51.89891 4.914197 137.5836       24.66680 150.0927       35.07000 125.3361       34.70117 53.19983 6.896882 48.15451 7.615016 5.045319       10.27402 
1 1 1 -7  6  51 o 27.75661 7.983281 42.67393       22.84838 19.69543       32.24999 65.83141       32.37534 23.10024 9.298247 33.79919 9.430104 -10.69895      13.24327 
1 1 1 -7  6  52 o 60.50974 5.304663 188.8007       31.10130 224.5000       56.62999 173.3824       37.21632 62.77160 9.514626 57.05917 6.796950 5.712433       11.69302 
1 1 1 -7  6  53 o 46.76359 5.400588 113.7652       24.26671 83.29321       33.59194 147.0231       35.09394 37.89541 9.158717 52.22663 7.044347 -14.33121      11.55443 
1 1 1 -7  6  54 o 25.28365 7.958322 35.51124       21.97520 27.96852       30.64195 43.49873       31.53243 24.13192 9.255591 27.71699 9.569486 -3.585075      13.31319 
1 1 1 -7  6  55 o 32.27702 7.420302 58.33628       22.95248 61.89870       31.73972 54.43122       33.23102 32.26013 9.447898 30.28439 9.814179 1.975742       13.62281 
1 1 1 -7  6  56 o 32.29274 7.375962 58.42923       22.80197 58.71375       32.33875 58.14792       32.15575 31.33435 9.621226 31.20133 9.596449 0.1330204      13.58896 
1 1 1 -7  6  57 o 24.54643 8.812994 32.30853       26.93721 26.97877       32.30905 44.46000       48.78485 23.99887 9.420214 28.74385 11.48179 -4.744976      14.85166 
1 1 1 -7  6  58 o 19.15073 7.797540 12.14533       22.97766 36.76271       32.60856 -12.13302      32.38325 26.03726 9.642265 17.90609 8.200114 8.131166       12.65761 
1 1 1 -7  6  59 o 46.30202 8.291340 122.5971       36.19774 0.000000       0.000000 122.5971       36.19774 ?        ?        46.30202 8.291340 ?              ?        
1 1 1 -7  6  60 o 26.75718 8.192197 41.35017       23.46698 71.97463       33.70816 12.54797       32.68990 34.25108 9.646109 21.29389 9.032427 12.95719       13.21485 
1 1 1 -7  6  61 o 21.04059 8.984235 11.79907       32.71648 11.79907       32.71648 0.000000       0.000000 21.04059 8.984235 ?        ?        ?              ?        
1 1 1 -7  6  62 o 14.70255 6.746817 -10.08535      22.07331 11.55085       32.21308 -29.23661      30.30682 20.78256 8.895462 15.24284 7.275415 5.539723       11.49178 
1 1 1 -7  7  1  o 424.2777 11.32803 8849.021       470.0260 8723.000       658.3961 8980.000       671.2239 420.3148 16.03258 426.4523 16.10913 -6.137573      22.72769 
1 1 1 -7  7  2  o 326.9596 6.258884 5237.801       200.3075 5304.474       286.1308 5173.724       280.5080 328.7270 8.900674 324.6544 8.835308 4.072540       12.54132 
1 1 1 -7  7  3  o 488.8802 10.56796 11733.26       505.7080 11894.06       625.5771 11430.00       859.0946 491.6598 13.01043 480.7107 18.29128 10.94907       22.44643 
1 1 1 -7  7  4  o 218.9537 5.100440 2347.898       109.3116 2294.081       132.4234 2463.000       193.6620 216.3019 6.261167 223.9281 8.852917 -7.626144      10.84326 
1 1 1 -7  7  5  o 295.7660 6.601614 4286.026       191.1193 4181.120       230.4705 4517.000       341.9762 291.9326 8.073161 303.0669 11.54906 -11.13425      14.09101 
1 1 1 -7  7  6  o 362.0206 6.884857 6421.647       243.9689 6403.954       344.7446 6439.398       345.3043 361.1795 9.760374 362.1796 9.749153 -1.000153      13.79532 
1 1 1 -7  7  7  o 501.9618 9.382882 12357.69       461.0130 12520.33       658.2644 12201.12       645.8543 504.5354 13.34086 498.0728 13.25934 6.462555       18.80927 
1 1 1 -7  7  8  o 290.2409 5.628944 4125.943       159.9159 4183.832       228.2290 4070.113       224.1371 292.0486 7.991307 288.0521 7.957063 3.996521       11.27723 
1 1 1 -7  7  9  o 425.0386 9.239749 8859.978       384.4101 9460.000       696.5488 8597.193       460.9650 437.9468 16.27722 418.3268 11.26787 19.61996       19.79679 
1 1 1 -7  7  10 o 514.6201 11.10308 13001.15       559.2891 13710.00       1005.249 12683.35       673.0835 526.4230 19.54282 507.7322 13.55554 18.69073       23.78391 
1 1 1 -7  7  11 o 133.6788 3.223765 874.8163       42.18247 866.0898       59.16041 883.8409       60.16225 132.9148 4.554005 134.2701 4.584332 -1.355270      6.461816 
1 1 1 -7  7  12 o 334.9996 6.416415 5498.439       210.3987 5498.107       297.7899 5498.770       297.3080 334.6821 9.098598 334.7039 9.083248 -0.2182007E-01 12.85651 
1 1 1 -7  7  13 o 211.4606 4.346818 2189.597       89.97195 2232.235       128.4497 2148.529       126.0629 213.3645 6.156860 209.3223 6.159400 4.042236       8.708912 
1 1 1 -7  7  14 o 98.38123 3.092222 474.2990       29.74059 455.7311       40.77438 495.4073       43.47443 96.37352 4.333470 100.4838 4.430993 -4.110237      6.197794 
1 1 1 -7  7  15 o 384.1024 7.288491 7232.870       274.0255 7088.450       381.8266 7386.253       393.4980 379.7909 10.28052 387.6772 10.37903 -7.886353      14.60867 
1 1 1 -7  7  16 o 75.60045 3.912633 280.6240       28.85489 284.2456       34.15775 271.6000       53.91875 76.04086 4.610859 74.03773 7.545475 2.003136       8.842749 
1 1 1 -7  7  17 f 113.0603 3.821163 626.6896       42.22672 682.2000       76.78294 602.6216       50.55893 117.7668 6.688440 110.8166 4.671564 6.950256       8.158354 
1 1 1 -7  7  18 f 40.73562 4.847320 82.44725       18.94916 81.79762       25.50304 83.24792       28.31301 40.30570 6.699347 40.56364 7.403594 -0.2579422     9.984712 
1 1 1 -7  7  19 o 119.6215 3.242007 701.2150       37.92528 686.9144       52.73269 716.5373       54.58411 118.3195 4.561754 120.8434 4.623159 -2.523911      6.494860 
1 1 1 -7  7  20 o 313.9195 7.033292 4837.065       216.1142 4952.000       381.1572 4782.609       262.3632 316.4383 12.32937 311.8046 8.604576 4.633667       15.03503 
1 1 1 -7  7  21 o 137.9854 3.981603 933.5975       53.72086 904.6000       93.10891 948.0674       65.77258 135.5495 7.041719 138.9894 4.841955 -3.439941      8.545779 
1 1 1 -7  7  22 o 117.1061 3.784295 672.5699       43.32118 634.3000       75.21350 691.5688       52.99444 113.4519 6.804215 118.6947 4.569880 -5.242813      8.196410 
1 1 1 -7  7  23 o 201.1998 4.224451 1983.982       83.19628 1852.922       112.7539 2140.607       123.2616 194.2185 5.938070 208.7523 6.038749 -14.53375      8.469189 
1 1 1 -7  7  24 o 320.7206 6.204492 5050.992       194.7778 4748.223       263.9657 5412.892       288.5936 310.3427 8.698179 331.3106 8.907160 -20.96793      12.44973 
1 1 1 -7  7  25 o 132.8989 3.365413 865.8782       43.74381 803.0903       59.51235 939.6688       64.51638 127.8747 4.762949 138.3345 4.771819 -10.45983      6.742102 
1 1 1 -7  7  26 o 246.1707 5.725799 2975.550       137.9681 2937.581       167.3883 3056.000       243.6563 244.2981 7.007250 248.4411 10.04022 -4.143051      12.24368 
1 1 1 -7  7  27 o 150.3206 4.157628 1108.761       61.11573 1056.181       72.82364 1234.000       112.3910 146.6153 5.082109 158.1807 7.278426 -11.56541      8.877123 
1 1 1 -7  7  28 o 227.6160 5.396555 2543.960       120.2335 2541.447       147.1949 2549.000       208.4221 227.2194 6.625292 226.8950 9.404923 0.3243866      11.50422 
1 1 1 -7  7  29 o 261.4753 5.231129 3357.440       133.8851 3337.838       188.6477 3377.333       190.0444 260.1640 7.415516 261.6970 7.426593 -1.532959      10.49496 
1 1 1 -7  7  30 o 377.1597 7.234014 7011.311       267.0612 6830.058       370.9653 7206.312       384.7764 370.8133 10.23027 380.8418 10.33140 -10.02847      14.53947 
1 1 1 -7  7  31 o 193.8201 4.799034 1845.009       91.04560 1848.000       155.4499 1843.447       112.3278 193.1488 8.241223 193.4686 5.938616 -0.3198090     10.15800 
1 1 1 -7  7  32 o 324.6924 6.324976 5195.280       201.0190 5097.695       280.8590 5297.774       287.8372 320.4025 8.964235 326.6092 9.012134 -6.206635      12.71126 
1 1 1 -7  7  33 o 102.1638 3.329324 512.4924       33.24903 487.4954       46.22970 539.2779       47.85486 99.46661 4.762126 104.6385 4.684150 -5.171860      6.679753 
1 1 1 -7  7  34 o 127.6077 3.925642 800.6070       48.97529 794.0000       80.84428 804.4375       61.55623 126.5658 6.547956 127.7446 4.932193 -1.178757      8.197699 
1 1 1 -7  7  35 o 120.3853 5.081006 715.6405       59.73816 677.9000       84.81208 752.8000       84.15675 116.5584 7.473117 122.9881 7.019839 -6.429642      10.25308 
1 1 1 -7  7  36 o 54.18998 4.331710 145.5211       22.78538 116.2799       31.24351 178.7416       33.30166 47.90849 6.857935 59.83681 5.756754 -11.92832      8.953854 
1 1 1 -7  7  37 o 69.79955 3.758792 240.4322       25.58598 238.0854       35.93060 242.8464       36.44293 69.16454 5.348850 69.85177 5.371246 -0.6872330     7.580269 
1 1 1 -7  7  38 o 126.6712 3.465825 790.0777       42.93211 773.4764       60.25184 807.1997       61.18937 124.9435 4.936352 127.6516 4.906287 -2.708107      6.959829 
1 1 1 -7  7  39 f 74.66516 3.671487 275.4082       26.75053 280.2197       37.64498 270.5004       38.01972 74.97910 5.160808 73.62170 5.311613 1.357407       7.405888 
1 1 1 -7  7  40 o 24.61942 7.722157 30.55835       20.70806 16.14397       28.69073 46.23346       29.91911 22.50816 8.864321 29.92505 9.265931 -7.416893      12.82317 
1 1 1 -7  7  41 f 62.26569 4.058913 192.5537       24.60317 183.9648       34.31045 201.6445       35.29887 60.37214 5.880529 63.26732 5.763202 -2.895187      8.233779 
1 1 1 -7  7  42 o 88.43114 3.541380 386.7221       30.59178 378.5512       42.49046 395.5158       44.07993 87.04215 5.008331 88.94965 5.083970 -1.907494      7.136535 
1 1 1 -7  7  43 o 39.73615 6.025685 81.02955       22.70254 102.3843       31.40821 57.66503       32.85297 44.26305 7.517937 32.79354 9.614372 11.46951       12.20473 
1 1 1 -7  7  44 o 104.2595 5.141256 544.9651       52.30578 554.2000       76.11061 536.7000       72.00325 103.7383 7.547105 102.2824 7.238688 1.455971       10.45741 
1 1 1 -7  7  45 o 49.41582 6.149930 125.4406       29.10506 108.9000       52.78123 132.6678       34.88885 43.51655 12.00269 50.38099 7.286135 -6.864437      14.04110 
1 1 1 -7  7  46 o 61.04282 4.973444 188.3576       29.45923 124.7000       48.16900 226.3945       37.23446 46.88686 10.72855 66.60723 5.767859 -19.72037      12.18072 
1 1 1 -7  7  47 o 43.24224 7.961302 101.0606       32.45626 80.25000       45.15683 123.3000       46.68127 37.11921 11.36394 46.39771 10.52182 -9.278496      15.48701 
1 1 1 -7  7  48 o 53.53127 5.424818 147.0187       28.03289 137.5185       35.23618 163.4000       46.26960 50.84242 7.288560 54.43379 8.998135 -3.591373      11.57970 
1 1 1 -7  7  49 o 61.16712 4.357201 188.9032       25.91665 177.9268       37.23804 199.2145       36.09216 58.18951 6.657567 61.97923 6.025173 -3.789711      8.979193 
1 1 1 -7  7  50 o 82.14233 3.786650 337.9510       30.36396 298.7758       42.30291 379.5828       43.60913 76.11494 5.719826 86.21413 5.191702 -10.09918      7.724648 
1 1 1 -7  7  51 o 49.84710 6.033981 130.1883       28.84227 96.93176       35.69930 192.7000       48.94423 41.23847 9.089337 58.83101 8.766710 -17.59254      12.62819 
1 1 1 -7  7  52 o 42.56384 5.967142 95.46757       24.17874 95.98136       34.08458 94.94714       34.30428 41.11792 8.738420 40.82572 8.840823 0.2921944      12.43061 
1 1 1 -7  7  53 o 37.26302 6.678792 75.08714       23.46545 106.7120       33.72691 45.41566       32.66870 43.64030 8.196451 28.34222 9.742209 15.29808       12.73155 
1 1 1 -7  7  54 o 28.54964 7.788636 46.04797       22.36493 55.25167       31.05756 36.13457       32.23273 30.64585 9.432158 26.06196 9.598057 4.583893       13.45691 
1 1 1 -7  7  55 o 27.88166 7.855779 44.07651       22.35163 28.87132       31.20915 60.08873       32.02667 24.32633 9.338141 31.76233 9.538481 -7.435997      13.34854 
1 1 1 -7  7  56 o 30.91960 8.515783 55.55931       26.59057 65.19564       31.97436 33.95000       47.88135 33.01134 9.427961 27.12802 11.17445 5.883326       14.62036 
1 1 1 -7  7  57 o 60.75062 4.497594 189.0566       26.55499 217.4822       37.81257 161.3941       37.30150 64.01652 6.108426 54.27704 7.198381 9.739479       9.440845 
1 1 1 -7  7  58 o 51.78579 5.829614 141.9083       29.03718 110.4000       47.91394 160.1974       36.50439 41.29580 11.45352 54.15804 7.053576 -12.86224      13.45125 
1 1 1 -7  7  59 o 22.69683 8.189806 26.88563       23.29627 21.54033       33.15885 32.09578       32.73700 22.98226 9.363537 24.95182 9.567603 -1.969553      13.38711 
1 1 1 -7  7  60 o 43.63635 6.878755 104.8729       28.40893 140.9000       51.40160 89.02802       34.08841 46.50901 11.38456 38.50215 9.175817 8.006863       14.62203 
1 1 1 -7  7  61 o 35.34040 9.480752 77.22346       33.47231 0.000000       0.000000 77.22346       33.47231 ?        ?        35.34040 9.480752 ?              ?        
1 1 1 -7  7  62 f 14.55773 6.863379 -20.23610      25.39975 -32.55334      31.63621 2.104000       42.60597 15.31072 7.341486 21.45359 9.657450 -6.142867      12.13111 
1 1 1 -7  8  1  o 385.5708 8.440428 7288.888       318.5480 7197.281       387.4437 7480.000       559.6127 382.8295 10.34893 389.6132 14.70034 -6.783722      17.97777 
1 1 1 -7  8  2  o 343.2986 7.566222 5776.157       254.2478 5851.563       314.5316 5634.000       431.8665 345.2807 9.314996 338.3221 13.06562 6.958649       16.04617 
1 1 1 -7  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  8  4  o 419.1457 11.20611 8630.478       459.3422 7907.000       610.1396 9577.000       697.8819 400.4679 15.59503 440.6663 16.20714 -40.19843      22.49170 
1 1 1 -7  8  5  o 652.0071 12.11870 20879.25       773.4188 21528.72       1119.199 20285.61       1070.017 660.6343 17.32266 641.3403 17.06011 19.29401       24.31300 
1 1 1 -7  8  6  o 457.5804 8.593485 10265.52       384.8956 10303.08       546.9649 10228.68       541.7221 457.8419 12.21591 456.1964 12.14241 1.645599       17.22401 
1 1 1 -7  8  7  o 147.0056 3.385376 1057.949       48.71324 1047.355       68.72456 1068.646       69.05850 146.1681 4.810000 147.6491 4.784691 -1.481033      6.784495 
1 1 1 -7  8  8  o 182.2663 4.445256 1626.674       79.30659 1597.000       134.3481 1642.544       98.25159 180.3502 7.627639 183.0477 5.489846 -2.697464      9.397835 
1 1 1 -7  8  9  o 234.4558 5.408856 2692.272       124.1288 2884.000       223.2460 2606.473       149.3422 242.2959 9.431083 230.5523 6.624567 11.74361       11.52520 
1 1 1 -7  8  10 o 403.2609 7.619201 7970.804       300.7473 8214.113       433.8303 7745.689       417.2934 408.9111 10.84847 397.0863 10.74608 11.82483       15.26982 
1 1 1 -7  8  11 o 214.4785 4.385065 2252.514       92.05893 2278.001       131.0802 2227.707       129.3196 215.5429 6.219444 213.1491 6.204933 2.393784       8.785367 
1 1 1 -7  8  12 o 356.5021 6.794576 6228.207       237.0995 6333.009       339.1818 6128.057       331.5667 359.1233 9.657777 353.2675 9.597619 5.855743       13.61569 
1 1 1 -7  8  13 o 127.3295 3.239197 794.2374       40.33852 811.1194       57.14946 777.4755       56.94567 128.6176 4.546623 125.9142 4.628278 2.703438       6.487892 
1 1 1 -7  8  14 o 68.48491 3.225866 230.1292       21.56379 203.1200       28.64637 265.4457       32.75694 64.23788 4.586045 73.47941 4.577132 -9.241531      6.479348 
1 1 1 -7  8  15 o 179.7932 4.519532 1584.207       79.47464 1607.071       97.52306 1539.000       137.1300 181.0275 5.510136 176.9547 7.937268 4.072845       9.662393 
1 1 1 -7  8  16 o 336.3322 7.469931 5548.673       245.9185 5376.000       417.6335 5640.322       304.2600 330.0664 12.95185 338.7809 9.183762 -8.714539      15.87740 
1 1 1 -7  8  17 f 277.6110 5.448726 3776.859       148.0600 3668.431       205.1614 3894.707       213.8882 273.3103 7.676508 281.6085 7.766937 -8.298157      10.92035 
1 1 1 -7  8  18 o 149.5225 3.515874 1094.863       51.45718 1067.983       71.43901 1123.847       74.18132 147.5475 4.953516 151.3573 5.014007 -3.809753      7.048232 
1 1 1 -7  8  19 o 155.9269 3.591487 1190.797       54.81528 1189.156       77.15536 1192.469       77.89091 155.6805 5.069967 155.8942 5.111378 -0.2137299     7.199358 
1 1 1 -7  8  20 o 101.0614 3.540806 500.8719       34.97213 477.4000       55.56419 516.2701       45.00448 98.49041 5.789143 102.5426 4.494706 -4.052238      7.329158 
1 1 1 -7  8  21 o 108.6578 3.182924 578.7354       33.81621 618.3789       48.71169 541.8575       46.98188 112.2402 4.442602 105.0443 4.580332 7.195885       6.380921 
1 1 1 -7  8  22 o 214.3746 5.139471 2253.694       107.8445 2096.000       179.8961 2342.158       134.7402 206.1304 8.937305 218.3400 6.311225 -12.20950      10.94107 
1 1 1 -7  8  23 o 126.7956 3.866916 788.5452       47.93660 740.2000       82.81951 812.9016       58.78445 122.5421 6.932920 128.6772 4.674951 -6.135101      8.361850 
1 1 1 -7  8  24 o 159.0422 4.257792 1240.855       66.22353 1259.000       117.0625 1232.315       80.30952 159.8097 7.504525 158.4036 5.186586 1.406082       9.122421 
1 1 1 -7  8  25 o 199.0421 4.203513 1942.265       81.89614 1907.693       114.5056 1978.470       117.1779 197.0057 5.944821 200.6260 5.973601 -3.620285      8.427622 
1 1 1 -7  8  26 o 175.1762 4.469799 1505.917       76.57981 1452.976       92.04166 1625.000       138.0421 171.9502 5.475572 181.4859 7.788868 -9.535706      9.520943 
1 1 1 -7  8  27 o 247.5420 7.067548 3017.763       171.0721 3017.763       171.0721 0.000000       0.000000 247.5420 7.067548 ?        ?        ?              ?        
1 1 1 -7  8  28 o 243.9608 5.706392 2924.017       136.2661 2864.274       164.6294 3054.000       242.8338 241.1274 6.982520 248.1439 10.01828 -7.016510      12.21153 
1 1 1 -7  8  29 o 115.1461 3.902624 650.9281       43.92220 627.8719       53.26740 699.9000       77.63210 112.9915 4.827382 119.0541 6.688686 -6.062614      8.248765 
1 1 1 -7  8  30 o 114.3541 3.769135 641.9732       42.13138 611.4000       67.75484 661.2472       53.79668 111.2921 6.244753 115.9562 4.749802 -4.664139      7.845863 
1 1 1 -7  8  31 o 101.7983 3.335011 508.6235       33.18618 532.0601       47.75305 486.7317       46.15254 103.9757 4.704240 99.43240 4.755787 4.543282       6.689349 
1 1 1 -7  8  32 o 125.6083 3.449891 774.4300       42.37585 729.6063       58.97545 822.2728       60.92931 121.7241 4.960198 129.2557 4.824286 -7.531593      6.919343 
1 1 1 -7  8  33 o 167.9233 3.828918 1384.391       62.93516 1366.460       88.47674 1402.755       89.54031 166.4810 5.436770 168.6813 5.430148 -2.200272      7.684072 
1 1 1 -7  8  34 f 122.3924 3.373484 735.7896       40.37616 734.4011       56.89051 737.1989       57.31285 122.0572 4.770977 122.2850 4.797513 -0.2277451     6.765971 
1 1 1 -7  8  35 o 112.8678 3.836990 626.9323       42.32871 648.2000       69.95030 614.6453       53.16808 114.2456 6.279388 111.5645 4.880574 2.681099       7.953032 
1 1 1 -7  8  36 o 71.28962 4.231660 251.1678       29.39578 231.4040       34.75925 300.8000       55.08293 68.23552 5.244398 77.32964 7.366083 -9.094124      9.042283 
1 1 1 -7  8  37 o 61.36441 3.944687 186.2239       23.56833 152.8060       32.20074 224.7816       34.58852 55.14385 6.065769 67.18112 5.302885 -12.03727      8.056931 
1 1 1 -7  8  38 o 90.55756 3.471188 404.2136       30.71172 402.5090       42.98861 405.9906       43.89133 90.05220 4.895409 90.42046 4.978346 -0.3682556     6.982045 
1 1 1 -7  8  39 o 48.99240 4.767669 120.0146       22.57457 119.6826       31.51282 120.3646       32.35432 48.39327 6.843407 48.48073 7.022233 -0.8746338E-01 9.805304 
1 1 1 -7  8  40 o 37.08790 6.174883 70.57864       21.62866 71.48558       30.06778 69.60616       31.13522 36.72982 8.527508 36.17509 8.863688 0.5547333      12.29973 
1 1 1 -7  8  41 o 31.91037 6.995543 53.33397       21.24660 67.98711       29.43459 37.39411       30.69977 35.73668 8.532833 27.64753 9.445871 8.089142       12.72925 
1 1 1 -7  8  42 o 40.29803 5.789454 82.92766       22.18163 104.4271       30.58754 59.07980       32.21481 44.85586 7.210916 33.20147 9.457176 11.65439       11.89266 
1 1 1 -7  8  43 o 43.79635 6.204243 98.43676       25.85335 73.69624       31.26821 151.9000       45.96489 37.01404 8.766370 53.38280 9.124218 -16.36876      12.65309 
1 1 1 -7  8  44 o 86.24509 3.610015 368.7130       30.40803 344.4769       41.82910 395.8757       44.28261 82.79797 5.187287 88.81216 5.115594 -6.014183      7.285413 
1 1 1 -7  8  45 f 37.05721 7.352120 72.90813       25.72637 67.30000       40.70861 76.63719       33.19541 34.83884 10.81178 37.37622 9.148763 -2.537380      14.16314 
1 1 1 -7  8  46 o 79.48391 5.346334 320.3735       41.35309 0.000000       0.000000 320.3735       41.35309 ?        ?        79.48391 5.346334 ?              ?        
1 1 1 -7  8  47 o 16.74467 7.478955 -6.884450      25.01099 47.26000       46.24313 -29.27229      29.73557 30.50739 11.44595 15.62437 7.384361 14.88302       13.62125 
1 1 1 -7  8  48 o 55.63698 4.555427 156.7007       24.59138 172.6237       35.06763 141.2941       34.49438 57.55936 6.328488 51.66996 7.000194 5.889400       9.436762 
1 1 1 -7  8  49 o 53.15614 5.491985 145.6117       28.16418 147.2529       35.68357 142.9000       45.86709 52.59771 7.113138 50.16883 9.691131 2.428883       12.02143 
1 1 1 -7  8  50 o 32.47793 8.282933 58.99638       26.41039 45.82901       32.97138 82.57000       44.11647 28.82431 9.790205 37.05745 11.20966 -8.233131      14.88303 
1 1 1 -7  8  51 o 37.62468 6.588273 75.84663       23.37973 56.47631       32.43258 96.80225       33.73366 31.29073 9.640133 41.48645 8.590147 -10.19572      12.91212 
1 1 1 -7  8  52 o 68.88319 4.078005 239.5624       27.37281 270.3783       39.05128 209.7977       38.37946 72.26443 5.563634 63.12617 6.295151 9.138252       8.401366 
1 1 1 -7  8  53 o 61.31157 4.368790 191.2886       26.04684 179.8851       36.49943 203.1223       37.18163 58.11174 6.529607 62.01773 6.208381 -3.905994      9.009981 
1 1 1 -7  8  54 o 21.46842 7.845229 22.63178       21.46894 15.85854       29.91037 29.82980       30.83403 21.55715 8.850716 24.50580 9.312358 -2.948652      12.84738 
1 1 1 -7  8  55 o 19.96293 8.150671 13.11478       25.18971 20.55244       29.76365 -5.661000      47.28975 22.41254 8.963067 22.22908 10.07438 0.1834660      13.48443 
1 1 1 -7  8  56 f 74.17684 3.933770 278.4734       28.45955 286.4215       39.97666 270.3059       40.52469 74.03762 5.556846 71.69276 5.824959 2.344864       8.050384 
1 1 1 -7  8  57 o 19.04214 7.997962 8.755438       25.22354 2.059000       41.77467 12.59750       31.64270 21.86355 9.721736 21.23730 8.941259 0.6262512      13.20827 
1 1 1 -7  8  58 o 47.93129 5.398162 120.5548       24.88636 120.7818       35.64777 120.3391       34.75834 46.07904 8.204358 46.16148 7.981262 -0.8244705E-01 11.44605 
1 1 1 -7  8  59 o 21.75756 8.008440 23.74608       22.43506 24.71194       32.34530 22.85061       31.14469 23.44051 9.353899 22.89911 9.164931 0.5414047      13.09547 
1 1 1 -7  8  60 o 47.03813 5.384303 116.7127       24.34432 136.7222       35.05453 98.07215       33.83405 49.41056 7.481891 40.78220 8.738629 8.628361       11.50401 
1 1 1 -7  8  61 o 19.89573 8.232476 13.49336       26.14656 -2.229029      32.77159 41.03000       43.37042 18.95605 8.506701 27.05768 10.81996 -8.101627      13.76356 
1 1 1 -7  9  1  o 380.5637 8.328712 7099.946       310.2498 7068.384       379.0569 7164.000       539.9988 379.4211 10.21579 381.3620 14.49239 -1.940918      17.73110 
1 1 1 -7  9  2  o 730.3292 15.66941 26258.87       1120.154 26751.34       1390.911 25350.00       1889.548 735.7712 19.32977 712.9161 27.12729 22.85516       33.30961 
1 1 1 -7  9  3  o 595.0688 12.80109 17399.16       745.6246 17671.98       924.0455 16890.00       1262.337 598.8995 15.77653 583.6048 22.13800 15.29474       27.18437 
1 1 1 -7  9  4  o 274.6111 6.213232 3694.194       167.0098 3361.000       272.2122 3895.321       211.4923 261.4813 10.65791 281.8142 7.674144 -20.33289      13.13330 
1 1 1 -7  9  5  o 370.5598 7.044784 6728.531       255.5242 6727.470       361.8054 6729.587       360.9279 370.1692 9.994616 370.2306 9.968674 -0.6137085E-01 14.11619 
1 1 1 -7  9  6  o 286.3110 6.429109 4016.040       180.1752 4456.000       333.5692 3834.803       214.0934 301.0492 11.34017 279.5977 7.830535 21.45154       13.78102 
1 1 1 -7  9  7  o 16.72205 6.018073 11.41006       12.56940 -1.919000      18.81524 22.15294       16.89158 15.71198 6.762904 21.62230 6.996282 -5.910316      9.730613 
1 1 1 -7  9  8  o 312.7646 6.952612 4793.508       212.8491 5141.000       385.6334 4641.267       255.2517 323.2553 12.20967 307.5475 8.487223 15.70779       14.86974 
1 1 1 -7  9  9  o 402.9099 7.616359 7957.156       300.3735 8227.189       435.1231 7711.327       415.1640 409.2214 10.87258 396.1969 10.71523 13.02448       15.26529 
1 1 1 -7  9  10 o 545.0730 10.18050 14581.96       543.1625 15049.98       786.4814 14155.18       751.0394 552.7489 14.54897 536.1067 14.32500 16.64221       20.41759 
1 1 1 -7  9  11 o 392.2557 7.428051 7542.218       285.2005 7701.231       409.4214 7392.323       397.5112 395.9095 10.57444 387.8959 10.47915 8.013580       14.88729 
1 1 1 -7  9  12 o 394.8288 7.476198 7642.298       288.9322 7737.573       411.8550 7549.967       405.4439 396.8038 10.61335 391.9658 10.57727 4.838013       14.98405 
1 1 1 -7  9  13 o 318.1864 6.132079 4960.971       190.9834 4884.598       267.1494 5040.804       273.1326 315.4195 8.661054 320.4204 8.716674 -5.000977      12.28797 
1 1 1 -7  9  14 o 338.0133 7.494664 5602.939       247.9660 5541.534       301.2335 5732.000       436.7164 335.8645 9.171484 340.9333 13.11095 -5.068787      16.00041 
1 1 1 -7  9  15 o 183.6996 4.612951 1654.007       82.87997 1591.000       142.4981 1686.217       101.8858 179.8810 8.114040 185.4148 5.620369 -5.533798      9.870471 
1 1 1 -7  9  16 o 232.9110 4.708544 2657.583       107.3453 2572.537       148.8136 2749.839       154.9931 228.9455 6.647594 236.7053 6.696302 -7.759781      9.435622 
1 1 1 -7  9  17 o 278.9694 6.312004 3816.356       172.3575 4269.000       319.4265 3630.438       204.7167 294.2343 11.11098 271.8502 7.701145 22.38409       13.51893 
1 1 1 -7  9  18 o 515.4310 9.667254 13070.04       487.7305 12824.72       680.0940 13329.82       699.8399 509.0786 13.66062 518.9600 13.78934 -9.881378      19.41027 
1 1 1 -7  9  19 o 71.00986 3.230943 247.4531       22.39829 247.7033       30.39344 247.1557       33.13588 70.96382 4.397192 70.85034 4.806500 0.1134796      6.514426 
1 1 1 -7  9  20 o 245.7629 4.917197 2960.976       118.2879 2912.365       165.2762 3012.023       169.3674 243.4374 6.943217 247.5629 6.996387 -4.125549      9.856860 
1 1 1 -7  9  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  9  22 o 154.4646 3.561675 1168.904       53.85048 1129.088       74.51819 1212.424       77.90695 151.6515 5.027014 157.1500 5.071362 -5.498566      7.140699 
1 1 1 -7  9  23 o 173.0632 4.453386 1469.375       75.37726 1529.000       134.7260 1442.206       90.94307 176.1037 7.835480 171.3540 5.428969 4.749634       9.532495 
1 1 1 -7  9  24 o 243.2221 5.678230 2904.114       135.1830 2847.000       232.4173 2933.314       166.1855 239.8674 9.920402 244.1564 6.960852 -4.288956      12.11890 
1 1 1 -7  9  25 o 184.7172 5.714417 1676.990       103.1960 1606.000       144.4452 1751.000       147.4847 180.3544 8.203684 188.3722 8.017116 -8.017868      11.47060 
1 1 1 -7  9  26 o 218.6807 5.205277 2347.223       111.4193 2252.936       133.1016 2568.000       203.6730 213.9978 6.361364 227.8683 9.150134 -13.87050      11.14414 
1 1 1 -7  9  27 o 165.6166 3.765038 1344.574       61.03507 1321.131       85.33504 1369.127       87.33289 163.9488 5.324628 166.8996 5.352765 -2.950836      7.550084 
1 1 1 -7  9  28 o 142.1782 4.128778 992.2609       57.39851 964.7831       69.73141 1050.000       101.0817 140.0855 5.093929 145.8462 7.101967 -5.760742      8.739911 
1 1 1 -7  9  29 o 144.1439 4.956919 1021.471       69.83411 1141.000       101.4679 913.9000       96.25855 152.0547 6.834934 135.9745 7.258590 16.08026       9.970127 
1 1 1 -7  9  30 o 126.5798 3.959218 786.7880       48.99432 785.1870       59.97470 790.0000       84.94808 126.3442 4.858662 126.4121 6.891350 -0.6788635E-01 8.431921 
1 1 1 -7  9  31 o 202.5449 4.301236 2014.141       85.27483 1972.353       118.9624 2058.307       122.3005 200.0272 6.083021 204.3338 6.121696 -4.306595      8.630081 
1 1 1 -7  9  32 f 118.9155 4.569461 695.9245       53.08852 671.5000       71.25433 726.4000       79.59288 116.5207 6.270535 121.1071 6.740863 -4.586342      9.206456 
1 1 1 -7  9  33 o 52.80870 4.212051 137.9059       21.59204 135.0056       29.93759 141.0501       31.17126 51.97029 5.994858 53.11535 6.106503 -1.145065      8.557318 
1 1 1 -7  9  34 o 100.3300 3.336283 494.6744       32.71867 472.0428       45.36597 519.2069       47.23283 97.79740 4.753345 102.5840 4.716521 -4.786621      6.696257 
1 1 1 -7  9  35 o 145.2650 3.580126 1037.007       50.90557 992.3935       70.34528 1086.055       73.75867 141.7235 5.079134 148.2657 5.089918 -6.542130      7.190609 
1 1 1 -7  9  36 o 64.96017 4.276493 208.8258       27.04075 261.1000       43.62458 176.2096       34.45914 72.25888 6.228584 59.30864 6.019086 12.95024       8.661677 
1 1 1 -7  9  37 o 30.04794 7.911289 47.01717       23.58386 38.62897       28.12833 66.87000       43.27340 27.91439 9.027936 35.92245 11.14702 -8.008066      14.34433 
1 1 1 -7  9  38 o 135.8105 3.540251 908.9753       47.02221 876.6036       65.23048 943.9944       67.84547 132.9036 5.023310 137.9203 5.034028 -5.016724      7.111616 
1 1 1 -7  9  39 o 74.72693 3.715566 276.1127       27.09219 268.2294       37.67383 284.5557       38.98825 73.26656 5.288841 75.46736 5.311919 -2.200798      7.495887 
1 1 1 -7  9  40 o 112.6884 3.414646 626.5880       37.62095 642.4731       53.58190 611.1431       52.83411 113.6507 4.827589 110.8196 4.882688 2.831055       6.866313 
1 1 1 -7  9  41 o 29.49819 7.315210 45.83205       21.01750 50.24100       29.06613 41.00056       30.42702 30.83181 9.044417 28.48744 9.400845 2.344374       13.04521 
1 1 1 -7  9  42 o 21.63817 8.130816 18.74928       23.35441 19.27467       28.47705 17.67000       40.81501 22.97772 8.893714 25.48040 10.38577 -2.502682      13.67342 
1 1 1 -7  9  43 o 12.30011 5.884856 -26.55075      20.08216 -16.03814      27.75662 -38.09867      29.09129 16.66503 7.616660 14.73637 7.059151 1.928668       10.38485 
1 1 1 -7  9  44 o 65.48833 4.535564 214.7148       28.89416 169.6000       45.04162 246.2633       37.66557 56.62634 8.378807 69.77478 5.560906 -13.14844      10.05625 
1 1 1 -7  9  45 o 47.59138 5.732285 116.0471       26.16606 74.82000       41.52790 143.1905       33.69625 36.45256 10.84147 52.52788 6.706432 -16.07532      12.74808 
1 1 1 -7  9  46 f 73.72567 3.810712 271.2190       27.40657 257.2949       38.19387 285.9984       39.34946 71.05240 5.535369 75.00342 5.395898 -3.951019      7.730203 
1 1 1 -7  9  47 o 35.84219 7.685259 69.85230       26.15306 28.18000       48.22884 87.21067       31.12702 27.59034 11.27306 39.88691 8.245227 -12.29657      13.96659 
1 1 1 -7  9  48 o 34.58731 8.003261 65.92780       26.55739 125.6000       50.65112 43.30357       31.18817 45.92784 11.33654 28.27226 9.522159 17.65558       14.80502 
1 1 1 -7  9  49 o 37.38586 7.357243 75.90035       25.96413 61.36562       32.33097 102.3000       43.57268 32.74667 9.520021 41.60215 10.65457 -8.855480      14.28813 
1 1 1 -7  9  50 o 36.08596 7.661533 71.60040       26.22457 69.30063       32.52945 75.87000       44.32285 34.71114 9.361303 35.51891 11.31763 -0.8077660     14.68750 
1 1 1 -7  9  51 o 39.81302 7.043123 85.77132       26.44310 103.3230       32.47061 51.21000       45.56440 43.24935 7.963513 30.44163 11.37385 12.80772       13.88460 
1 1 1 -7  9  52 o 44.48745 5.564195 103.3419       23.70118 109.9772       33.08342 96.34575       33.97129 44.61251 7.863345 41.17731 8.701327 3.435207       11.72797 
1 1 1 -7  9  53 f 26.30633 7.899748 38.81779       21.96772 33.44708       30.47332 44.62845       31.69688 25.30977 9.330452 27.99478 9.597108 -2.685007      13.38513 
1 1 1 -7  9  54 o 28.55583 8.624244 47.04014       26.12776 56.43271       30.95868 23.79000       48.70831 30.86959 9.401279 25.90866 11.00913 4.960926       14.47705 
1 1 1 -7  9  55 o 42.18007 5.775555 94.15304       23.21997 98.74590       32.53334 89.38402       33.15139 41.68275 8.265860 39.21455 8.847774 2.468201       12.10816 
1 1 1 -7  9  56 o 54.60691 5.416002 155.9211       28.56790 148.8000       47.77627 159.8842       35.64161 49.61014 10.18019 54.29598 6.859088 -4.685844      12.27532 
1 1 1 -7  9  57 o 61.65597 4.484329 194.7525       26.87818 225.7907       39.02240 166.7345       37.07528 65.13557 6.195037 55.29620 7.006970 9.839367       9.352866 
1 1 1 -7  9  58 o 48.75149 5.333084 124.6435       25.03438 140.6018       36.41905 110.3481       34.46928 50.15123 7.661625 43.83998 8.337191 6.311249       11.32295 
1 1 1 -7  9  59 o 20.75592 7.889944 20.09138       22.13837 47.66466       32.64141 -3.396541      30.12638 28.35958 9.738494 18.32294 8.194331 10.03664       12.72735 
1 1 1 -7  9  60 o 67.05261 4.876728 233.3991       31.78861 265.0235       40.04271 179.5000       52.27613 70.60922 5.846045 53.81721 10.29881 16.79202       11.84237 
1 1 1 -7  9  61 o 36.70357 6.285303 74.00454       21.76920 64.54946       24.71726 106.7000       45.96333 33.32495 7.727907 39.70485 11.29202 -6.379898      13.68321 
1 1 1 -7  10 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  10 2  o 292.5122 8.040659 4197.521       230.0010 4000.000       315.6838 4421.000       335.7873 285.2045 11.33065 299.8441 11.46207 -14.63965      16.11715 
1 1 1 -7  10 3  o 335.3338 7.417510 5511.025       243.4678 5655.000       429.0937 5442.666       295.6709 338.9606 12.95678 333.0098 9.079267 5.950836       15.82123 
1 1 1 -7  10 4  o 827.9869 15.37657 33754.11       1246.204 34173.11       1781.256 33352.41       1744.129 830.2667 21.93730 820.3229 21.74055 9.943726       30.88522 
1 1 1 -7  10 5  o 163.8808 5.103423 1316.568       81.76476 0.000000       0.000000 1316.568       81.76476 ?        ?        163.8808 5.103423 ?              ?        
1 1 1 -7  10 6  o 227.3614 5.285454 2531.784       117.6265 2483.000       200.4760 2557.396       145.2577 224.8136 9.129310 228.3733 6.504745 -3.559708      11.20964 
1 1 1 -7  10 7  o 315.2947 6.078317 4870.084       187.5885 4857.814       265.2653 4882.358       265.3152 314.6236 8.621693 315.4200 8.601461 -0.7964172     12.17862 
1 1 1 -7  10 8  o 288.7886 5.621431 4085.184       158.9034 4115.458       225.9867 4055.578       223.4809 289.6205 7.979237 287.5070 7.948823 2.113556       11.26286 
1 1 1 -7  10 9  f 195.6708 4.114978 1874.719       78.81332 1912.749       113.0211 1838.722       109.9597 197.5107 5.852506 193.6503 5.807648 3.860367       8.245035 
1 1 1 -7  10 10 o 180.8768 3.898953 1601.904       69.02988 1609.401       97.92400 1594.500       97.32475 181.1745 5.528335 180.3335 5.520169 0.8409882      7.812474 
1 1 1 -7  10 11 o 258.3254 5.118891 3268.615       129.4342 3303.977       184.9278 3234.655       181.2237 259.5089 7.287422 256.7759 7.217479 2.733032       10.25663 
1 1 1 -7  10 12 o 145.6606 3.996058 1039.724       56.92060 994.4040       67.18420 1155.000       107.1501 142.4052 4.826846 153.3244 7.159388 -10.91922      8.634540 
1 1 1 -7  10 13 o 249.7044 5.766338 3055.345       140.9394 3042.000       245.0107 3061.945       172.3005 248.6431 10.08800 249.7991 7.053822 -1.156052      12.30951 
1 1 1 -7  10 14 o 219.2890 4.479433 2355.416       96.14929 2351.724       135.4437 2359.167       136.5139 218.9365 6.326889 219.2795 6.366970 -0.3430481     8.975958 
1 1 1 -7  10 15 o 267.0807 5.262600 3495.465       137.5781 3368.730       189.6988 3636.093       199.8255 261.9298 7.406443 272.1213 7.509266 -10.19144      10.54725 
1 1 1 -7  10 16 o 253.4962 5.040483 3148.977       125.0690 3016.199       171.8580 3298.474       182.3572 247.8399 7.091516 259.1744 7.195234 -11.33450      10.10252 
1 1 1 -7  10 17 o 93.16888 3.059035 425.5114       27.85944 397.1055       37.78448 459.3511       41.24035 89.92816 4.305015 96.73051 4.366908 -6.802353      6.132132 
1 1 1 -7  10 18 o 246.1014 4.919700 2968.626       118.5110 2948.976       166.4622 2988.823       168.7613 245.0054 6.948204 246.6499 6.997208 -1.644455      9.860956 
1 1 1 -7  10 19 o 70.36536 3.479947 243.1152       23.89397 227.3000       35.08194 256.7997       32.63314 67.87631 5.322858 72.23531 4.639871 -4.358994      7.061247 
1 1 1 -7  10 20 o 80.71543 3.043723 319.5226       24.00430 288.5432       32.00755 359.3430       36.28847 76.61227 4.285309 85.51760 4.349461 -8.905334      6.105873 
1 1 1 -7  10 21 o 212.9152 6.316485 2227.601       131.4946 2434.000       196.1073 2059.000       177.2432 222.1112 9.039104 204.2845 8.885214 17.82675       12.67487 
1 1 1 -7  10 22 o 194.4696 4.111454 1853.611       78.26243 1781.170       107.8064 1934.324       113.7959 190.4068 5.791100 198.4217 5.865540 -8.014877      8.242657 
1 1 1 -7  10 23 o 167.6689 3.730945 1377.666       61.23186 1326.778       84.69408 1433.393       88.62978 164.3533 5.271456 170.8315 5.306798 -6.478210      7.479997 
1 1 1 -7  10 24 o 168.7859 5.394994 1399.726       89.01748 1406.000       128.8624 1394.000       123.1138 168.8038 7.820227 168.1353 7.499560 0.6685028      10.83510 
1 1 1 -7  10 25 o 194.9912 5.920044 1869.401       112.8608 1826.000       159.4280 1913.000       159.7910 192.2452 8.493295 196.8187 8.313019 -4.573502      11.88454 
1 1 1 -7  10 26 o 87.18602 3.938061 373.4196       33.52069 350.1000       60.75784 383.6236       40.19093 83.99344 7.467883 88.30591 4.666340 -4.312469      8.805907 
1 1 1 -7  10 27 o 104.6628 4.679796 538.5939       47.82176 0.000000       0.000000 538.5939       47.82176 ?        ?        104.6628 4.679796 ?              ?        
1 1 1 -7  10 28 o 238.1138 5.569792 2786.336       129.8164 2796.000       222.7599 2781.366       159.7462 237.3782 9.607008 237.5479 6.877501 -0.1696930     11.81502 
1 1 1 -7  10 29 f 259.5486 5.203965 3309.718       132.2085 3438.938       191.0042 3190.864       183.1829 263.9462 7.400316 254.2497 7.368459 9.696503       10.44313 
1 1 1 -7  10 30 f 201.6747 4.955244 1998.516       97.81890 1992.417       119.3475 2011.000       170.7385 201.0770 6.070753 201.2967 8.685839 -0.2197266     10.59707 
1 1 1 -7  10 31 o 162.8770 5.222203 1306.189       83.14921 1353.000       116.7470 1258.000       118.4530 165.3224 7.232024 159.3015 7.618696 6.020935       10.50460 
1 1 1 -7  10 32 o 75.17111 3.973411 278.2522       29.13235 277.2099       35.24549 280.5000       51.75813 74.92036 4.831918 74.97077 7.139187 -0.5041504E-01 8.620639 
1 1 1 -7  10 33 o 115.9281 4.524542 662.1081       51.24303 643.8000       68.94769 684.7000       76.59056 113.9801 6.203323 117.4382 6.690524 -3.458099      9.123833 
1 1 1 -7  10 34 o 176.3715 3.939962 1529.412       68.01846 1479.037       94.40864 1583.783       98.08172 172.9566 5.583904 178.9753 5.605633 -6.018661      7.912212 
1 1 1 -7  10 35 o 110.0939 3.312414 596.0075       35.65494 593.4951       49.82628 598.6442       51.04314 109.6105 4.654680 110.0650 4.749031 -0.4545212     6.649762 
1 1 1 -7  10 36 o 59.44065 3.999407 174.8099       23.13397 168.1333       31.44721 182.6847       34.15274 57.98357 5.610805 60.40844 5.849021 -2.424870      8.105071 
1 1 1 -7  10 37 o 20.73133 7.732340 16.80120       21.04048 25.60000       30.91280 9.206646       28.71957 25.17184 9.375596 21.23404 8.690275 3.937801       12.78369 
1 1 1 -7  10 38 o 18.21428 7.578800 4.611602       22.33314 -2.705813      26.81511 21.18000       40.34976 18.44020 8.005366 26.24695 10.45613 -7.806757      13.16877 
1 1 1 -7  10 39 o 72.13300 3.715668 257.4060       26.14635 262.4802       36.62314 252.1311       37.34034 72.47596 5.196941 70.96249 5.416738 1.513474       7.506613 
1 1 1 -7  10 40 o 56.54568 4.276192 159.2396       23.49264 156.9484       33.01775 161.5888       33.43338 55.62198 6.168057 56.45301 6.149740 -0.8310356     8.710008 
1 1 1 -7  10 41 o 22.13577 8.120478 20.92094       23.03605 10.78140       28.34163 40.66000       39.54385 21.22220 8.652847 29.47422 10.66543 -8.252020      13.73401 
1 1 1 -7  10 42 o 17.20617 7.226202 3.326457       20.58776 21.16891       28.73970 -15.48068      29.50641 23.42408 8.968826 17.38175 7.909064 6.042324       11.95797 
1 1 1 -7  10 43 o 50.58486 5.335577 129.5490       26.02098 98.46000       41.22777 150.1331       33.54692 42.30274 10.09722 54.09795 6.462984 -11.79521      11.98849 
1 1 1 -7  10 44 o 30.33029 7.997016 49.45708       24.07564 -38.47000      37.80140 109.4655       31.22861 17.53634 8.299278 45.70202 7.220432 -28.16568      11.00058 
1 1 1 -7  10 45 o 24.28773 7.796194 30.51472       21.00263 42.25828       29.34442 18.18043       30.07341 28.25824 9.227090 22.80587 9.045880 5.452374       12.92158 
1 1 1 -7  10 46 o 29.60841 7.476544 47.53885       21.66912 23.40203       30.03630 73.73557       31.29176 23.72989 9.147538 36.42940 8.861564 -12.69951      12.73596 
1 1 1 -7  10 47 o 31.98883 7.166363 55.33780       21.88107 84.38950       31.42124 27.98471       30.48883 39.08266 8.459403 24.69541 9.287857 14.38726       12.56287 
1 1 1 -7  10 48 o 70.26656 4.613447 249.9730       31.55523 226.0595       38.71509 297.3000       54.46449 66.01591 6.058873 74.65820 7.556928 -8.642288      9.685923 
1 1 1 -7  10 49 o 22.34332 8.539891 21.64198       26.02606 5.857000       47.66053 28.34895       31.06705 24.19344 10.58482 24.69149 9.355686 -0.4980431     14.12683 
1 1 1 -7  10 50 o 38.95214 7.481678 82.92598       27.48916 118.0000       49.44742 67.23762       33.07042 43.95585 11.39821 34.05994 9.541001 9.895916       14.86439 
1 1 1 -7  10 51 o 57.86152 4.562349 170.5677       25.63060 181.9269       35.93789 158.8088       36.56453 58.72041 6.353635 54.39375 7.031983 4.326656       9.477208 
1 1 1 -7  10 52 o 38.19786 7.241356 80.02813       26.08422 90.61986       32.56242 61.06000       43.57582 39.88929 8.593675 31.95258 11.23559 7.936714       14.14531 
1 1 1 -7  10 53 o 80.68310 5.347335 337.3675       41.99222 337.3675       41.99222 0.000000       0.000000 80.68310 5.347335 ?        ?        ?              ?        
1 1 1 -7  10 54 o 29.78589 7.500977 49.98722       21.85323 97.95574       31.50770 5.520424       30.33586 41.66221 8.017220 19.84012 8.563881 21.82209       11.73098 
1 1 1 -7  10 55 o 50.33252 5.700840 133.5010       27.59230 189.9000       47.65617 105.0607       33.84159 57.63676 8.719404 42.88874 8.361753 14.74802       12.08085 
1 1 1 -7  10 56 o 40.18889 6.137964 86.69430       23.38096 59.34131       33.04940 114.1012       33.08197 31.34339 9.744109 45.10950 7.772873 -13.76612      12.46456 
1 1 1 -7  10 57 o 70.48894 4.066785 252.3827       27.94028 278.2649       40.58399 229.0619       38.52354 72.73641 5.746951 65.70692 6.057909 7.029488       8.350192 
1 1 1 -7  10 58 o 20.90985 7.903993 20.68270       22.14300 8.522470       32.34218 31.41199       30.37973 20.62907 8.872890 24.54304 9.262358 -3.913975      12.82651 
1 1 1 -7  10 59 o 30.58689 8.463732 55.07736       26.19773 66.19718       32.71784 35.21000       43.73264 32.87156 9.582701 26.52276 10.77290 6.348803       14.41817 
1 1 1 -7  10 60 o 38.99281 5.873508 81.90912       21.72237 75.73319       24.44427 105.1000       47.36795 36.75522 7.050817 39.43688 11.53969 -2.681664      13.52326 
1 1 1 -7  10 61 o 26.40218 7.642540 40.55235       20.87706 38.38357       23.76291 47.89000       43.70899 25.59066 8.299590 28.08342 10.97647 -2.492756      13.76103 
1 1 1 -7  11 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  11 2  f 551.5793 14.61155 14984.43       788.1841 15060.00       1118.896 14910.00       1110.473 551.2001 20.77553 548.4622 20.72225 2.737915       29.34339 
1 1 1 -7  11 3  o 298.4861 5.797887 4364.288       169.3948 4289.087       237.1681 4442.601       242.0266 295.6576 8.203155 300.9041 8.225010 -5.246460      11.61648 
1 1 1 -7  11 4  o 406.3053 8.862475 8096.538       352.4632 8306.000       621.8047 7997.375       427.8355 410.3478 15.50879 403.4536 10.84354 6.894165       18.92366 
1 1 1 -7  11 5  o 521.4317 11.25427 13352.91       574.4089 13530.00       1004.305 13266.81       700.2502 522.6678 19.66568 519.1174 13.79324 3.550354       24.02067 
1 1 1 -7  11 6  o 93.97430 4.144310 433.2570       38.02753 512.0000       64.20121 390.7000       47.19788 102.0181 6.462457 89.14581 5.434804 12.87228       8.443959 
1 1 1 -7  11 7  o 114.0625 3.544355 637.5841       39.52383 636.0000       65.57836 638.4877       49.53042 113.7863 5.908188 114.1002 4.443347 -0.3139038     7.392565 
1 1 1 -7  11 8  f 339.2554 6.510130 5639.959       216.1836 5627.720       306.2112 5652.121       305.2506 338.5453 9.249221 339.2849 9.199980 -0.7395630     13.04560 
1 1 1 -7  11 9  o 50.40837 3.498905 125.0059       17.15684 125.9691       24.49087 124.0777       24.04222 50.46477 5.024735 50.08663 4.969415 0.3781433      7.067039 
1 1 1 -7  11 10 o 191.8854 4.070512 1802.998       76.45345 1769.592       107.5154 1837.167       108.7380 189.9590 5.789108 193.5581 5.745725 -3.599136      8.156417 
1 1 1 -7  11 11 o 251.3173 5.792021 3094.823       142.4816 2981.328       169.9783 3363.000       261.2851 246.4953 7.052210 261.4542 10.22944 -14.95886      12.42478 
1 1 1 -7  11 12 o 159.7397 4.230523 1250.567       66.08922 1235.000       117.4841 1257.774       79.93647 158.4951 7.594910 160.1488 5.105876 -1.653717      9.151646 
1 1 1 -7  11 13 o 130.6486 3.256880 835.7604       41.64978 826.5269       58.11321 845.5126       59.72314 129.8157 4.580603 131.2955 4.654511 -1.479843      6.530421 
1 1 1 -7  11 14 o 117.4208 3.144732 675.5807       36.11135 636.9736       49.38050 719.9608       52.94384 113.9452 4.435922 121.1488 4.472353 -7.203697      6.299154 
1 1 1 -7  11 15 o 132.9239 3.283843 865.2094       42.72594 842.5965       59.24952 889.7080       61.67036 131.0586 4.625885 134.6731 4.685452 -3.614548      6.584244 
1 1 1 -7  11 16 o 178.8768 3.868115 1567.298       67.72665 1500.254       93.26772 1642.085       98.50677 174.8513 5.456172 182.9330 5.507606 -8.081635      7.752647 
1 1 1 -7  11 17 f 243.9745 4.884838 2917.512       116.6543 2789.826       160.0746 3062.122       170.3530 238.3044 6.869699 249.6578 6.977895 -11.35344      9.792027 
1 1 1 -7  11 18 o 224.3939 4.566919 2467.860       100.3091 2418.980       139.9059 2519.568       143.8953 221.9100 6.447834 226.4741 6.497870 -4.564133      9.154064 
1 1 1 -7  11 19 o 123.3201 3.190593 745.3494       38.48103 760.6873       54.11698 729.6627       54.72897 124.5010 4.447878 121.9211 4.594200 2.579910       6.394552 
1 1 1 -7  11 20 o 228.6394 4.635301 2562.793       103.7373 2482.831       143.4849 2650.364       150.1559 224.7634 6.528821 232.2165 6.612802 -7.453079      9.292721 
1 1 1 -7  11 21 o 261.7562 5.184940 3361.061       132.8455 3271.321       184.5933 3457.473       191.3318 257.8394 7.321505 265.0679 7.381535 -7.228577      10.39671 
1 1 1 -7  11 22 o 170.6081 3.758901 1426.398       62.77212 1401.997       87.70401 1452.026       89.88243 168.9505 5.309985 171.9371 5.347210 -2.986588      7.535821 
1 1 1 -7  11 23 o 120.8504 4.684648 717.3917       55.31057 744.0000       82.74567 695.9000       74.36560 122.8161 6.910974 118.8322 6.417204 3.983925       9.430910 
1 1 1 -7  11 24 o 88.57512 4.681327 385.9153       40.44289 371.8000       60.67545 397.2000       54.25187 86.62945 7.221134 89.69482 6.217813 -3.065376      9.529218 
1 1 1 -7  11 25 o 265.7619 5.271456 3467.267       137.1291 3404.348       191.4633 3533.535       196.4941 262.8370 7.449569 267.7680 7.504350 -4.930969      10.57409 
1 1 1 -7  11 26 o 178.0163 5.573004 1558.120       96.98847 0.000000       0.000000 1558.120       96.98847 ?        ?        178.0163 5.573004 ?              ?        
1 1 1 -7  11 27 o 150.1546 5.112224 1108.423       75.02760 0.000000       0.000000 1108.423       75.02760 ?        ?        150.1546 5.112224 ?              ?        
1 1 1 -7  11 28 f 171.5440 4.532961 1445.323       76.04717 1428.000       133.5871 1453.628       92.49791 169.8652 8.057372 171.8927 5.504634 -2.027512      9.758188 
1 1 1 -7  11 29 f 324.2333 6.301809 5177.023       199.9995 5000.401       276.0791 5372.078       290.1277 317.5660 8.890391 329.1054 9.014824 -11.53946      12.66120 
1 1 1 -7  11 30 o 116.6779 3.337924 668.1181       38.08243 658.3965       52.50312 678.9111       55.32066 115.6752 4.646470 117.4423 4.822601 -1.767097      6.696803 
1 1 1 -7  11 31 o 58.98391 4.362970 171.8450       25.01132 185.8629       29.78221 138.3000       46.07115 61.26979 5.009671 51.93873 9.408472 9.331055       10.65909 
1 1 1 -7  11 32 o 113.7824 3.827931 636.5170       42.57225 655.3539       52.34201 599.7000       73.17609 115.3324 4.646038 109.8857 6.837211 5.446701       8.266385 
1 1 1 -7  11 33 o 45.11929 5.189959 101.6599       22.50395 104.2832       26.59730 95.05000       42.21923 45.53187 6.122873 42.63468 10.24468 2.897186       11.93495 
1 1 1 -7  11 34 o 56.82080 3.936722 159.5533       21.75980 172.6091       29.56661 144.1258       32.14024 58.91093 5.180123 53.58167 6.245042 5.329262       8.113830 
1 1 1 -7  11 35 o 94.36641 3.327643 438.1849       30.68881 401.1779       41.28415 483.8895       45.87978 90.04307 4.700383 98.90127 4.753205 -8.858200      6.684800 
1 1 1 -7  11 36 o 10.92869 5.297475 -29.16235      17.57975 -17.63627      22.97625 -45.43805      27.30286 14.76436 6.814325 13.55714 6.578671 1.207227       9.471744 
1 1 1 -7  11 37 o 49.14059 4.555830 120.3966       21.66412 129.0802       29.11895 109.6312       32.42189 50.56948 5.999527 46.16549 7.426746 4.403992       9.547297 
1 1 1 -7  11 38 o 53.15236 4.830011 141.2128       24.85497 117.2000       37.57196 159.8987       33.14353 47.36077 8.412943 56.25129 6.117934 -8.890518      10.40225 
1 1 1 -7  11 39 o 49.02485 5.264118 120.9599       24.86564 96.08803       30.38391 171.4000       43.26905 43.00216 7.490568 57.60212 7.880597 -14.59997      10.87255 
1 1 1 -7  11 40 o 33.57439 7.346866 59.27018       23.47204 66.39749       28.67580 44.80000       40.85916 35.31522 8.415588 30.53408 10.86634 4.781147       13.74407 
1 1 1 -7  11 41 o 12.93590 6.091971 -20.75033      19.91103 -34.50887      27.18386 -4.825227      29.24598 14.39975 6.877783 18.80125 8.256729 -4.401500      10.74605 
1 1 1 -7  11 42 o 23.06549 8.158550 24.67759       23.00212 20.04000       35.30323 28.09876       30.32186 24.60155 9.787049 25.24215 9.306935 -0.6405983     13.50575 
1 1 1 -7  11 43 o 76.86781 4.175042 294.4186       31.29524 246.4000       49.23065 326.9813       40.54063 68.97736 7.407526 80.64728 5.162754 -11.66991      9.029145 
1 1 1 -7  11 44 o 24.23075 7.769621 30.19553       20.86370 47.19241       28.99034 11.93384       30.04963 29.63518 9.111357 21.66525 8.880550 7.969933       12.72325 
1 1 1 -7  11 45 o 26.42938 7.628738 37.42175       20.82905 42.45341       29.08889 32.12730       29.83887 28.22613 9.184815 25.73993 9.271247 2.486204       13.05055 
1 1 1 -7  11 46 o 12.79582 6.069354 -22.60616      20.43529 -8.071404      28.22274 -38.62456      29.62818 17.64841 7.909063 14.69017 7.059763 2.958238       10.60158 
1 1 1 -7  11 47 o 78.47120 5.556121 315.5191       42.40047 315.3000       63.04290 315.7000       57.29502 76.14008 8.609834 76.93826 7.711814 -0.7981873     11.55860 
1 1 1 -7  11 48 o 18.51678 7.553866 9.388791       21.61374 54.03700       30.27770 -37.00417      30.86362 30.92197 9.271692 15.18341 7.272686 15.73856       11.78373 
1 1 1 -7  11 49 o 40.76599 5.837508 86.99107       22.62933 70.63239       30.96974 105.7301       33.14643 35.24360 8.959353 43.86844 8.014544 -8.624844      12.02094 
1 1 1 -7  11 50 o 39.71314 6.082804 83.37059       22.89338 122.7459       31.81311 41.07909       32.97015 47.81089 7.005671 27.55269 9.765559 20.25821       12.01855 
1 1 1 -7  11 51 o 54.05919 5.558831 151.9546       28.99562 205.4000       52.72473 128.7826       34.71691 60.09372 9.260590 48.55930 7.549182 11.53443       11.94775 
1 1 1 -7  11 52 o 36.77827 9.608565 80.20330       34.96476 77.34000       49.30491 83.10000       49.59161 34.93128 11.96970 36.03700 12.00543 -1.105724      16.95300 
1 1 1 -7  11 53 o 52.87553 4.713046 143.7407       24.13745 150.2012       33.89779 137.0958       34.37830 52.81517 6.708149 50.08112 7.221393 2.734043       9.856357 
1 1 1 -7  11 54 o 41.67670 7.806083 97.36684       30.67444 121.1000       43.40141 73.68000       43.35903 44.74677 10.14400 34.16662 11.21962 10.58014       15.12550 
1 1 1 -7  11 55 o 21.08611 8.184153 19.57546       24.16485 23.18177       30.58079 13.58000       39.43013 22.97768 9.119349 22.92438 9.827526 0.5329895E-01  13.40682 
1 1 1 -7  11 56 o 37.74121 6.404995 77.23820       22.81644 102.1677       33.58428 55.86865       31.09405 42.15143 8.434543 30.56257 9.443192 11.58886       12.66157 
1 1 1 -7  11 57 o 18.92476 7.974335 8.338907       25.20266 -7.478191      31.89293 34.64000       41.12613 18.30960 8.288167 26.37150 10.53941 -8.061905      13.40794 
1 1 1 -7  11 58 o 40.33740 5.639410 86.48631       21.65862 75.86168       24.64724 122.5000       45.37798 36.92717 7.076425 44.14287 10.62988 -7.215698      12.76989 
1 1 1 -7  11 59 o 23.17376 7.712446 29.73589       20.46722 22.89833       23.28264 52.99000       42.93697 21.56383 8.115010 29.42225 11.03120 -7.858429      13.69455 
1 1 1 -7  11 60 o 38.74736 5.969064 81.30626       21.91300 93.34486       24.92634 40.35000       45.97594 41.30103 6.370446 27.14528 11.03834 14.15575       12.74471 
1 1 1 -7  11 61 o 38.76224 6.941948 84.51048       25.37152 84.51048       25.37152 0.000000       0.000000 38.76224 6.941948 ?        ?        ?              ?        
1 1 1 -7  12 1  o 548.7283 14.54253 14835.61       780.4061 14530.00       1087.567 15160.00       1120.491 541.2357 20.56622 552.7969 20.74472 -11.56128      29.21152 
1 1 1 -7  12 2  o 225.7867 5.298221 2497.024       117.0940 2179.000       188.5487 2696.681       149.3948 210.5517 9.170680 234.5014 6.514859 -23.94969      11.24921 
1 1 1 -7  12 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  12 4  o 380.4437 8.342115 7098.144       310.6511 7419.000       554.8940 6951.675       374.9100 387.8533 14.64256 376.1723 10.19141 11.68097       17.84010 
1 1 1 -7  12 5  o 400.2508 8.761443 7858.490       343.2528 7287.000       564.1977 8194.328       432.5058 384.2791 15.02853 408.3244 10.83089 -24.04526      18.52471 
1 1 1 -7  12 6  o 268.3236 5.283968 3526.683       138.7795 3462.448       194.2765 3593.616       198.3134 265.6498 7.478887 270.6375 7.493352 -4.987640      10.58698 
1 1 1 -7  12 7  o 546.7143 10.21621 14677.05       546.7094 14758.97       777.7096 14597.01       768.6968 547.1214 14.53491 544.1338 14.44533 2.987610       20.49222 
1 1 1 -7  12 8  o 340.9960 6.545980 5698.966       218.4893 5777.622       313.0282 5624.241       305.1052 342.9623 9.333292 338.3908 9.219975 4.571472       13.11938 
1 1 1 -7  12 9  o 149.3391 4.099198 1092.973       59.86428 1051.909       71.30902 1191.000       110.1759 146.4566 4.981519 155.6842 7.249866 -9.227600      8.796369 
1 1 1 -7  12 10 o 277.3735 6.297334 3771.096       170.9731 3505.000       284.3189 3921.825       213.9862 266.7825 10.91087 282.6472 7.741838 -15.86472      13.37846 
1 1 1 -7  12 11 o 211.8442 4.360230 2198.131       90.41328 2141.858       126.1308 2257.607       129.6700 208.9410 6.174017 214.5166 6.181954 -5.575531      8.736993 
1 1 1 -7  12 12 o 217.6485 4.459441 2320.471       95.00410 2297.279       134.0245 2343.895       134.6902 216.3675 6.335105 218.5565 6.302599 -2.189056      8.936235 
1 1 1 -7  12 13 f 267.6623 5.274726 3511.072       138.1953 3355.694       189.5345 3687.437       201.9292 261.3956 7.415199 274.0064 7.536069 -12.61081      10.57249 
1 1 1 -7  12 14 o 18.40904 6.214874 15.43114       13.28560 30.40780       16.68919 -10.47981      21.95176 24.52153 6.743685 15.52558 6.965127 8.995953       9.694859 
1 1 1 -7  12 15 o 99.03061 3.041098 480.6828       29.44361 458.0534       40.55437 505.9074       42.81680 96.59553 4.299959 101.5242 4.318485 -4.928696      6.094174 
1 1 1 -7  12 16 o 238.3617 4.796963 2784.772       111.9204 2636.644       153.0466 2955.045       164.0882 231.6702 6.756340 245.2595 6.841791 -13.58934      9.615520 
1 1 1 -7  12 17 o 230.2507 4.662265 2598.584       105.0762 2537.205       146.3036 2663.973       151.0083 227.2496 6.584214 232.8557 6.632088 -5.606049      9.345398 
1 1 1 -7  12 18 f 133.6415 3.294584 874.8015       43.09709 843.0879       59.63945 909.4606       62.34769 131.0616 4.656315 136.1267 4.686180 -5.065048      6.606175 
1 1 1 -7  12 19 o 257.8527 5.114922 3260.771       129.0972 3216.299       180.6424 3307.195       184.5627 255.7242 7.223990 259.3058 7.278728 -3.581543      10.25504 
1 1 1 -7  12 20 o 189.6917 4.031656 1763.530       74.85796 1697.164       103.1795 1837.285       108.7721 185.8741 5.677769 193.3925 5.752475 -7.518433      8.082576 
1 1 1 -7  12 21 o 186.7751 3.998588 1709.836       73.10245 1686.245       102.2462 1734.504       104.5575 185.2617 5.644977 187.8904 5.691747 -2.628754      8.016342 
1 1 1 -7  12 22 f 195.0140 5.889035 1869.287       112.2841 2130.000       173.9325 1683.000       147.0248 207.6963 8.573941 184.6617 8.154171 23.03459       11.83228 
1 1 1 -7  12 23 o 157.4628 5.180954 1218.163       79.74477 1279.000       118.6235 1168.000       107.7161 161.0091 7.547876 153.9097 7.169741 7.099335       10.41036 
1 1 1 -7  12 24 o 239.4766 5.617714 2816.438       131.6828 2699.000       223.9620 2878.490       162.7957 233.4050 9.824950 241.7949 6.885446 -8.389893      11.99746 
1 1 1 -7  12 25 o 260.9833 5.974774 3347.364       152.6302 3257.000       257.1611 3396.508       189.6453 256.2027 10.27536 262.5031 7.388114 -6.300415      12.65572 
1 1 1 -7  12 26 f 179.0288 5.594664 1576.348       97.91960 0.000000       0.000000 1576.348       97.91960 ?        ?        179.0288 5.594664 ?              ?        
1 1 1 -7  12 27 o 200.8706 4.249937 1979.638       83.56127 1842.338       112.9388 2145.712       124.2108 193.4558 5.971390 208.7682 6.084885 -15.31239      8.525452 
1 1 1 -7  12 28 o 303.5983 6.893849 4543.355       204.8648 4297.000       343.8932 4678.877       255.0637 292.9041 12.02031 307.4176 8.484559 -14.51355      14.71311 
1 1 1 -7  12 29 o 163.7555 4.428452 1317.711       70.91777 1246.000       123.0315 1353.393       86.78630 158.5196 7.954580 165.8061 5.354441 -7.286545      9.588816 
1 1 1 -7  12 30 o 181.3303 4.702579 1617.127       83.39615 1543.000       145.0110 1653.760       101.9411 176.1679 8.433949 183.1667 5.692778 -6.998749      10.17542 
1 1 1 -7  12 31 o 162.9645 3.740071 1303.817       59.65944 1306.833       84.18134 1300.774       84.56232 162.8155 5.289207 162.4290 5.325919 0.3864441      7.506073 
1 1 1 -7  12 32 o 56.20578 4.351802 156.2830       23.75540 147.9427       27.91173 178.2000       45.24672 54.53228 5.295702 59.34751 7.991880 -4.815231      9.587211 
1 1 1 -7  12 33 o 73.24443 3.939540 264.5543       28.14008 233.9758       32.92097 347.5000       54.22024 68.71591 4.927214 83.43683 6.695066 -14.72092      8.312722 
1 1 1 -7  12 34 o 154.5612 4.226344 1177.502       63.87984 1156.728       77.09618 1223.000       114.0955 152.9261 5.157829 156.3555 7.476690 -3.429367      9.083177 
1 1 1 -7  12 35 o 89.08475 3.731871 391.3099       32.46933 389.8779       38.55959 394.8000       60.19636 88.78227 4.451306 88.66590 6.992533 0.1163712      8.289128 
1 1 1 -7  12 36 o 77.55953 3.413441 296.5752       25.85049 276.5298       35.07203 320.4186       38.25066 74.61083 4.828264 80.32161 4.888342 -5.710777      6.870810 
1 1 1 -7  12 37 o 70.22783 3.576180 243.6745       24.50207 263.2921       34.07595 222.6741       35.25651 72.73576 4.813306 66.70379 5.447254 6.031967       7.269147 
1 1 1 -7  12 38 o 71.49152 3.556399 252.6464       24.80879 258.4435       34.86971 246.7039       35.30419 71.97038 4.980526 70.25690 5.169913 1.713470       7.178694 
1 1 1 -7  12 39 o 80.60553 3.869610 321.8552       30.44163 337.0299       38.08315 295.0000       50.66256 82.24040 4.751099 76.17654 6.868219 6.063858       8.351370 
1 1 1 -7  12 40 o 55.20835 4.620583 152.4730       24.74056 152.6152       30.51198 152.2000       42.27296 54.90890 5.762805 53.92312 8.272738 0.9857788      10.08207 
1 1 1 -7  12 41 o 12.29538 5.881475 -26.52071      20.03855 -20.39000      29.30460 -31.90492      27.46257 16.70145 7.703856 14.75363 7.008958 1.947827       10.41513 
1 1 1 -7  12 42 o 63.59837 3.975354 201.3464       24.62355 217.7631       34.38273 184.0611       35.28053 65.69708 5.394194 60.11750 6.078974 5.579586       8.127192 
1 1 1 -7  12 43 o 54.94477 4.302402 151.1884       22.95454 152.6780       31.73882 149.5547       33.23832 54.62851 6.036160 53.90785 6.425466 0.7206535      8.815999 
1 1 1 -7  12 44 o 22.08508 7.561282 23.86236       19.67396 28.01115       27.44589 19.47733       28.21646 24.47191 8.881173 22.67208 8.831318 1.799829       12.52467 
1 1 1 -7  12 45 o 28.17075 7.335366 42.87305       20.42261 50.10937       28.87471 35.62949       28.88915 30.17502 9.055850 26.38892 9.157171 3.786098       12.87875 
1 1 1 -7  12 46 o 26.60661 8.474826 38.04873       24.85475 42.06914       30.52534 30.14000       42.81330 28.00990 9.420363 27.04274 10.77143 0.9671612      14.30968 
1 1 1 -7  12 47 o 70.29456 4.630006 250.2160       31.67996 287.8000       59.86831 235.5992       37.33548 72.60690 8.590072 67.62716 5.693011 4.979744       10.30532 
1 1 1 -7  12 48 o 55.32667 4.403455 155.0756       23.65042 158.6810       33.33910 151.4233       33.55543 55.02121 6.304086 53.60868 6.529234 1.412525       9.075925 
1 1 1 -7  12 49 o 41.43679 5.621274 89.54364       22.21218 107.1213       31.50872 72.17850       31.31768 44.39409 7.519138 35.55774 8.993433 8.836357       11.72260 
1 1 1 -7  12 50 o 17.62398 7.280426 7.503529       20.40280 15.02425       29.58982 0.6870766      28.17032 21.56110 8.822174 18.71076 8.162860 2.850348       12.01928 
1 1 1 -7  12 51 o 33.96186 7.754805 64.43388       25.21096 54.26405       30.95486 84.47000       43.44891 30.58588 9.417061 36.99184 11.11020 -6.405962      14.56426 
1 1 1 -7  12 52 o 49.34976 4.885714 125.7063       23.29097 129.2779       34.05261 122.5667       31.92687 48.51640 7.404843 47.42650 7.095166 1.089893       10.25539 
1 1 1 -7  12 53 o 30.84561 8.938897 55.83921       28.54540 0.000000       0.000000 55.83921       28.54540 ?        ?        30.84561 8.938897 ?              ?        
1 1 1 -7  12 54 o 18.86770 7.814972 9.847069       23.59455 5.756000       45.89054 11.31715       27.50905 23.17132 10.25228 20.13543 8.397352 3.035891       13.25235 
1 1 1 -7  12 55 o 16.02750 7.162712 -4.596770      22.97514 -20.34000      44.28561 1.200925       26.87469 20.03585 9.320848 18.17479 7.950049 1.861059       12.25078 
1 1 1 -7  12 56 o 25.18664 8.614747 35.37679       25.53652 21.54023       32.66058 57.14000       40.96107 22.95860 9.315485 30.56394 10.87958 -7.605347      14.32283 
1 1 1 -7  12 57 o 20.76811 8.278659 17.53934       25.30966 2.408125       32.15001 42.20000       41.04372 19.67181 8.647407 27.58974 10.67767 -7.917929      13.74010 
1 1 1 -7  12 58 o 21.52591 7.588619 24.19476       19.88760 25.19430       22.56023 20.71000       42.12393 22.12955 8.048946 24.20535 10.25973 -2.075806      13.04023 
1 1 1 -7  12 59 o 46.13827 4.994654 111.3855       22.19731 117.9989       25.25154 88.90000       46.56124 47.13527 5.581302 36.23468 11.60571 10.90059       12.87803 
1 1 1 -7  12 60 o 39.61510 6.659292 87.06566       24.90714 87.06566       24.90714 0.000000       0.000000 39.61510 6.659292 ?        ?        ?              ?        
1 1 1 -7  13 1  o 760.7407 16.38117 28565.99       1219.798 29540.00       2159.974 28109.90       1478.047 766.3041 28.84810 752.7854 20.07699 13.51874       35.14681 
1 1 1 -7  13 2  o 321.4511 7.162020 5065.480       225.3495 4793.000       377.5808 5216.237       280.8543 311.9330 12.39103 325.9438 8.811110 -14.01080      15.20438 
1 1 1 -7  13 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13 4  o 505.5628 13.45424 12593.08       665.2031 12170.00       918.3904 13060.00       964.8032 495.3579 18.97605 513.0800 19.24500 -17.72208      27.02703 
1 1 1 -7  13 5  o 399.4270 7.565216 7823.528       295.7774 7871.514       420.3928 7776.490       416.2231 400.1094 10.74394 397.6925 10.70206 2.416901       15.16464 
1 1 1 -7  13 6  o 221.0969 4.513654 2394.184       97.68259 2368.739       137.9747 2419.754       138.3140 219.7437 6.421594 222.1036 6.368732 -2.359879      9.044204 
1 1 1 -7  13 7  o 235.7853 5.470986 2723.943       126.2666 3030.000       233.5211 2597.494       150.1010 248.2017 9.630308 230.0883 6.671781 18.11333       11.71561 
1 1 1 -7  13 8  o 111.8455 3.784434 613.2775       41.37135 603.0386       49.56417 636.8000       75.12490 110.8624 4.577332 113.7632 6.777175 -2.900787      8.178145 
1 1 1 -7  13 9  o 199.8735 4.851827 1957.135       94.92198 1940.000       166.9303 1965.323       115.3938 198.5991 8.607642 200.1571 5.896290 -1.557999      10.43349 
1 1 1 -7  13 10 o 417.1232 7.897431 8539.411       322.4456 8792.246       467.0927 8309.231       445.6748 422.4821 11.30522 410.7540 11.09502 11.72812       15.84006 
1 1 1 -7  13 11 o 312.3192 6.986744 4785.183       213.5894 4323.000       347.4544 5065.926       270.7981 295.9319 12.02000 321.0376 8.625357 -25.10574      14.79450 
1 1 1 -7  13 12 o 686.9771 12.85284 23295.70       864.2661 23859.83       1247.417 22774.88       1198.560 691.9051 18.43512 676.1837 18.12512 15.72144       25.85292 
1 1 1 -7  13 13 o 513.4611 9.644110 12970.79       484.7031 13264.23       698.2901 12697.94       673.3381 517.6470 13.79378 506.5521 13.59238 11.09491       19.36546 
1 1 1 -7  13 14 o 112.6039 3.125811 621.4089       34.41929 591.8853       47.92477 652.8596       49.46418 109.8138 4.467914 115.3459 4.389102 -5.532074      6.263104 
1 1 1 -7  13 15 o 234.5567 4.728725 2696.617       108.5671 2618.253       150.8214 2780.891       156.4048 230.8564 6.681468 237.9187 6.722813 -7.062302      9.478303 
1 1 1 -7  13 16 o 31.34052 4.578468 49.15736       13.63085 28.00356       16.84479 89.28512       23.20031 23.65339 6.870262 42.27628 5.755826 -18.62289      8.962703 
1 1 1 -7  13 17 o 375.6795 7.162533 6934.277       263.3846 6653.688       362.1884 7249.197       383.7064 367.1646 10.08740 383.2065 10.23880 -16.04196      14.37319 
1 1 1 -7  13 18 o 251.0188 5.008090 3090.065       123.0508 3049.341       172.5905 3132.167       175.4859 249.0072 7.088280 252.3650 7.111153 -3.357834      10.04053 
1 1 1 -7  13 19 o 152.7090 5.031917 1145.085       75.11228 0.000000       0.000000 1145.085       75.11228 ?        ?        152.7090 5.031917 ?              ?        
1 1 1 -7  13 20 o 168.4975 5.132064 1394.199       84.54447 1244.000       110.4210 1607.000       131.4332 158.8998 7.117472 180.5879 7.451504 -21.68811      10.30453 
1 1 1 -7  13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  13 22 o 114.7590 3.806481 646.2175       42.69875 717.4000       81.19986 619.0115       50.19963 120.5779 6.908809 112.2483 4.578538 8.329529       8.288223 
1 1 1 -7  13 23 o 132.2113 3.311150 857.0498       42.81654 852.7089       59.72769 861.6389       61.41087 131.7601 4.638351 132.4381 4.744915 -0.6780090     6.635399 
1 1 1 -7  13 24 o 231.9204 6.702043 2648.278       151.9836 0.000000       0.000000 2648.278       151.9836 ?        ?        231.9204 6.702043 ?              ?        
1 1 1 -7  13 25 f 327.8516 9.037362 5318.248       289.7415 0.000000       0.000000 5318.248       289.7415 ?        ?        327.8516 9.037362 ?              ?        
1 1 1 -7  13 26 o 253.6147 5.909319 3162.953       146.6959 2947.000       245.0730 3283.531       183.1266 243.4171 10.30915 257.9923 7.258892 -14.57524      12.60833 
1 1 1 -7  13 27 o 285.1761 6.523032 4005.085       182.0827 3998.000       317.2432 4008.566       222.3536 282.8654 11.48180 284.7503 7.985515 -1.884949      13.98571 
1 1 1 -7  13 28 o 230.9630 4.724885 2620.371       106.8168 2411.313       143.2153 2882.472       160.3577 221.0682 6.625938 241.6735 6.785544 -20.60536      9.484022 
1 1 1 -7  13 29 o 234.8168 4.789902 2710.092       110.0936 2732.444       156.2839 2688.073       155.1143 235.1820 6.796096 233.2616 6.800901 1.920410       9.614530 
1 1 1 -7  13 30 o 143.0406 4.180027 1005.958       58.46267 1017.000       107.1043 1001.272       69.77416 143.0563 7.676925 142.5654 5.007825 0.4908447      9.165887 
1 1 1 -7  13 31 o 133.7523 4.061732 879.9467       53.11475 908.3000       98.97481 868.4784       62.94667 135.0832 7.515058 132.7350 4.853027 2.348160       8.945835 
1 1 1 -7  13 32 o 127.1443 3.998719 795.6151       49.70313 886.1000       94.62719 761.1398       58.40922 133.3460 7.277447 124.1997 4.813685 9.146309       8.725411 
1 1 1 -7  13 33 o 72.01196 3.380968 255.3396       23.76499 245.4482       31.83749 267.7857       35.71292 70.40944 4.645529 73.49301 4.994141 -3.083572      6.820732 
1 1 1 -7  13 34 o 157.7935 3.672252 1225.036       56.71890 1190.776       78.46607 1262.526       82.08128 155.0853 5.176236 159.6647 5.259227 -4.579468      7.379220 
1 1 1 -7  13 35 o 121.8409 4.578652 734.3586       54.50843 679.2000       70.43782 816.7000       86.06139 116.6529 6.191018 127.6471 6.913775 -10.99418      9.280571 
1 1 1 -7  13 36 o 85.13782 3.873757 358.2066       32.19747 360.4094       38.09708 352.7000       60.23393 85.23615 4.583125 83.40414 7.456728 1.832008       8.752589 
1 1 1 -7  13 37 o 17.46379 7.202825 5.232481       19.92771 -6.206801      22.36042 49.39000       43.93220 16.17813 7.157368 32.01558 11.27947 -15.83744      13.35868 
1 1 1 -7  13 38 o 109.8055 3.771109 596.1102       40.47198 620.1382       50.42358 552.6000       67.85319 111.7188 4.621040 104.6011 6.661782 7.117699       8.107611 
1 1 1 -7  13 39 o 11.97026 5.653297 -19.16649      17.37026 -22.20090      22.83243 -14.99717      26.76382 14.02789 6.580189 16.49993 7.517397 -2.472048      9.990503 
1 1 1 -7  13 40 o 25.45457 7.658016 33.56503       20.62991 44.35000       29.14628 22.73729       29.20400 29.17723 9.162734 23.88891 9.066385 5.288321       12.89011 
1 1 1 -7  13 41 o 22.12654 7.858757 22.43219       21.36159 34.93770       26.28643 -1.886000      36.65612 26.32784 8.739701 21.40649 9.325644 4.921356       12.78085 
1 1 1 -7  13 42 o 22.51398 7.541614 24.94224       19.56543 13.28333       26.37479 39.20939       29.17620 21.05885 8.432076 27.68463 9.208099 -6.625778      12.48555 
1 1 1 -7  13 43 o 30.94171 6.898819 50.85401       20.36112 57.49048       28.26805 43.69857       29.35251 32.47394 8.712970 28.71870 9.216359 3.755245       12.68295 
1 1 1 -7  13 44 o 102.7422 3.402689 524.0204       34.17258 526.1461       48.59505 521.9409       48.06398 102.1987 4.871837 101.8093 4.836933 0.3894501      6.865181 
1 1 1 -7  13 45 o 80.79312 4.185524 327.5382       32.98734 340.2597       40.50980 302.5000       56.83191 81.87968 5.079506 75.38062 7.815684 6.499062       9.321282 
1 1 1 -7  13 46 o 77.14148 4.308795 299.5321       32.40565 347.4000       62.08701 281.6094       37.99098 80.50345 7.984249 74.29019 5.258458 6.213257       9.560314 
1 1 1 -7  13 47 o 37.82990 6.055257 75.31514       21.66606 87.70709       30.61458 62.88123       30.66635 39.88099 8.118854 33.26738 9.138374 6.613613       12.22398 
1 1 1 -7  13 48 o 26.94157 7.647972 39.89588       21.10394 46.12771       30.01616 33.80380       29.67768 28.76074 9.327927 25.69473 9.247294 3.066010       13.13479 
1 1 1 -7  13 49 o 34.56510 6.692224 64.48821       21.82368 77.58048       31.29812 52.09897       30.44621 36.89904 8.791279 30.17481 9.347854 6.724224       12.83234 
1 1 1 -7  13 50 o 18.03677 7.609198 5.821199       22.99137 12.12089       28.84184 -5.160000      38.07926 20.79681 8.629542 20.48921 9.184173 0.3075962      12.60230 
1 1 1 -7  13 51 o 15.90298 6.910506 0.1099289      20.02146 5.404638       29.14463 -4.621819      27.55170 19.62950 8.432628 17.61778 7.860586 2.011713       11.52814 
1 1 1 -7  13 52 o 29.68233 7.907748 50.10216       23.38690 60.99000       43.09726 45.55778       27.84299 31.62329 11.16910 28.11993 8.971272 3.503361       14.32594 
1 1 1 -7  13 53 o 53.53074 4.434740 146.6928       23.02853 192.3586       36.07561 115.2883       29.91674 60.13812 6.218134 46.04370 6.846004 14.09442       9.248403 
1 1 1 -7  13 54 o 28.75526 8.445422 47.91413       25.33061 39.83939       32.16005 61.11000       41.11225 26.68315 9.623266 31.44743 10.92331 -4.764282      14.55767 
1 1 1 -7  13 55 o 35.73329 6.023493 68.68560       20.31981 76.06824       23.30279 45.26000       41.50948 37.31277 6.622907 28.28027 10.79091 9.032509       12.66123 
1 1 1 -7  13 56 o 17.43426 7.346043 6.221835       21.38661 4.956693       25.22077 9.460000       40.34949 18.30427 7.853575 22.44980 9.782111 -4.145531      12.54465 
1 1 1 -7  13 57 o 60.41943 4.690685 188.3517       27.52365 174.6935       32.67746 221.7000       51.06081 57.32755 5.907933 62.04704 8.641536 -4.719486      10.46804 
1 1 1 -7  13 58 o 21.75063 7.860155 24.49034       21.46852 24.26376       24.93280 25.14000       42.21842 22.15374 8.384217 24.75839 10.36969 -2.604654      13.33513 
1 1 1 -7  13 59 o 20.57653 8.956994 7.602119       33.75884 7.602119       33.75884 0.000000       0.000000 20.57653 8.956994 ?        ?        ?              ?        
1 1 1 -7  13 60 o 15.87080 7.302408 -11.16024      26.09794 0.7583846E-01  33.08069 -29.68000      42.47025 19.23933 8.596669 18.34902 8.716765 0.8903084      12.24274 
1 1 1 -7  14 1  o 232.7250 6.692229 2657.418       152.2891 2597.000       214.3493 2719.000       216.4039 229.7595 9.551920 235.1194 9.422169 -5.359909      13.41702 
1 1 1 -7  14 2  o 258.7870 5.926860 3282.073       150.1320 3541.000       274.9956 3172.129       179.1932 268.2121 10.49495 254.2319 7.208152 13.98026       12.73190 
1 1 1 -7  14 3  o 168.0947 4.306474 1384.791       70.79854 1496.000       130.8873 1338.794       84.17585 174.4651 7.683322 165.2238 5.211371 9.241287       9.283955 
1 1 1 -7  14 4  o 278.3952 7.765531 3805.274       211.4047 3645.000       291.1525 3984.000       307.4561 272.0316 10.95682 284.4020 11.06557 -12.37042      15.57237 
1 1 1 -7  14 5  o 285.0557 6.431202 3983.659       179.4436 3925.000       309.1298 4013.470       220.3724 282.2363 11.21210 285.8892 7.882570 -3.652893      13.70569 
1 1 1 -7  14 6  o 202.9114 4.930080 2017.177       97.91891 1975.974       118.6867 2105.000       173.2762 200.6846 6.048919 206.8863 8.575183 -6.201706      10.49396 
1 1 1 -7  14 7  o 19.55543 6.891609 16.33940       16.40100 -51.23000      44.20380 27.12627       17.66169 19.08135 9.013724 23.45243 7.092308 -4.371077      11.46944 
1 1 1 -7  14 8  o 336.5633 6.466040 5554.782       213.0156 5623.913       304.4020 5488.443       298.1930 338.1855 9.204290 334.0978 9.126928 4.087708       12.96224 
1 1 1 -7  14 9  o 176.3440 3.835345 1523.055       66.20202 1475.538       92.93073 1572.016       94.33260 173.4190 5.481536 179.0114 5.389767 -5.592361      7.687446 
1 1 1 -7  14 10 o 208.9283 4.970037 2139.133       101.6396 2364.000       186.1607 2043.635       121.3174 219.1707 8.694851 204.0553 6.080700 15.11536       10.61015 
1 1 1 -7  14 11 o 184.5476 4.532527 1668.777       81.87572 1865.000       150.1872 1585.799       97.66487 194.7077 7.896697 179.7630 5.557172 14.94472       9.656086 
1 1 1 -7  14 12 o 277.4931 5.450802 3775.424       148.0536 3764.535       210.1120 3786.161       208.6543 276.7280 7.764635 277.5344 7.688170 -0.8063660     10.92692 
1 1 1 -7  14 13 o 96.37160 3.631077 455.5789       34.19112 384.7000       62.42160 485.9591       40.86692 88.20748 7.294919 99.50027 4.205542 -11.29279      8.420359 
1 1 1 -7  14 14 o 217.4944 4.459800 2318.347       94.94450 2268.554       133.0126 2370.071       135.5675 214.9018 6.330239 219.6639 6.311623 -4.762146      8.939156 
1 1 1 -7  14 15 o 113.5945 3.493675 632.6935       38.79980 734.0000       68.12547 584.0563       47.20356 122.1842 5.712051 109.0730 4.430536 13.11120       7.228913 
1 1 1 -7  14 16 o 113.2588 3.118868 628.7514       34.54310 629.8269       49.00275 627.6891       48.70127 113.2685 4.428358 113.0774 4.408504 0.1911392      6.248621 
1 1 1 -7  14 17 o 247.1023 4.947743 2994.444       119.6714 2966.390       168.5635 3022.954       169.9265 245.5898 7.019284 247.9238 7.009269 -2.334015      9.919687 
1 1 1 -7  14 18 f 100.0497 3.021491 490.7472       29.55596 445.8548       39.96752 544.9244       43.90650 95.27094 4.296945 105.3469 4.266782 -10.07595      6.055507 
1 1 1 -7  14 19 o 243.9656 5.638400 2921.725       134.6452 3000.413       168.1264 2781.000       224.8373 246.9379 6.962670 237.1267 9.707353 9.811203       11.94619 
1 1 1 -7  14 20 o 124.7586 3.637927 763.4119       44.37786 758.1470       54.30182 774.0000       77.00597 124.2583 4.471894 125.3526 6.296186 -1.094276      7.722680 
1 1 1 -7  14 21 o 344.0058 6.610641 5818.344       222.5951 5706.229       310.5797 5936.762       319.1908 339.7747 9.347354 346.5492 9.418509 -6.774506      13.26956 
1 1 1 -7  14 22 o 268.0819 5.304060 3528.248       139.1817 3306.712       188.6279 3793.009       206.2104 259.0346 7.447200 277.4038 7.601539 -18.36920      10.64162 
1 1 1 -7  14 23 o 225.1860 6.539536 2496.179       143.9906 0.000000       0.000000 2496.179       143.9906 ?        ?        225.1860 6.539536 ?              ?        
1 1 1 -7  14 24 o 198.8334 4.916414 1940.749       95.68505 1849.000       165.0882 1987.162       117.4192 193.2529 8.750081 200.9646 5.975798 -7.711746      10.59595 
1 1 1 -7  14 25 o 331.9313 7.458420 5433.303       242.3267 5077.000       401.6796 5637.181       303.8477 318.2238 12.92246 337.3125 9.211368 -19.08865      15.86944 
1 1 1 -7  14 26 o 124.8075 3.989130 764.8998       48.67061 650.5000       84.09100 822.5278       59.68338 114.5724 7.540217 129.3438 4.722054 -14.77139      8.896778 
1 1 1 -7  14 27 f 169.8633 4.505738 1417.826       74.84937 1274.000       126.4634 1495.375       92.86099 160.2860 8.086646 174.2897 5.449912 -14.00368      9.751686 
1 1 1 -7  14 28 o 157.1151 3.644005 1211.061       56.04065 1207.442       78.84536 1214.756       79.66795 156.6076 5.150485 157.0749 5.188803 -0.4672394     7.311031 
1 1 1 -7  14 29 o 99.17538 3.156817 482.8591       30.60596 484.5274       41.96673 480.9637       44.73224 99.21258 4.331918 98.80466 4.638215 0.4079132      6.346539 
1 1 1 -7  14 30 o 70.95383 3.257425 247.5429       22.56297 250.7441       29.98411 243.3638       34.25926 71.28781 4.317279 70.12556 5.024387 1.162254       6.624452 
1 1 1 -7  14 31 o 97.26295 3.143556 464.7480       29.88850 451.4919       40.88244 479.9681       43.80631 95.69361 4.376216 98.64251 4.549224 -2.948898      6.312425 
1 1 1 -7  14 32 o 96.23948 3.970678 456.3873       37.32418 441.3000       70.12638 462.3506       44.08755 93.75618 7.709493 96.74252 4.669569 -2.986343      9.013388 
1 1 1 -7  14 33 o 71.62266 5.459367 255.3078       37.98518 316.9000       60.30558 214.8000       48.90625 79.17860 7.885884 65.06200 7.837113 14.11660       11.11789 
1 1 1 -7  14 34 o 60.14792 4.769569 179.8938       27.85083 119.4000       53.21386 202.7158       32.68485 47.14358 11.60981 63.76236 5.284335 -16.61878      12.75586 
1 1 1 -7  14 35 o 16.81950 7.369767 -4.562556      23.18193 -25.77000      45.93555 2.684295       26.85217 21.51741 9.820682 19.41352 8.208330 2.103884       12.79932 
1 1 1 -7  14 36 o 81.23463 3.942495 326.5555       31.25502 315.3475       36.43218 357.8000       60.82836 79.64193 4.694263 83.88029 7.487299 -4.238358      8.837180 
1 1 1 -7  14 37 o 86.86223 3.734271 373.1189       31.67578 427.5857       40.05542 282.2000       51.75139 92.80904 4.421970 74.44053 7.191873 18.36851       8.442562 
1 1 1 -7  14 38 o 111.5905 3.860132 616.3220       42.09992 626.3242       50.55753 593.7000       76.03320 112.2268 4.612212 108.0208 7.232686 4.206085       8.578126 
1 1 1 -7  14 39 o 105.5947 4.576424 555.1209       47.18915 536.0000       60.71273 584.3000       75.00003 103.1100 6.041989 107.0233 7.201323 -3.913284      9.400249 
1 1 1 -7  14 40 f 37.03774 6.840030 71.57644       23.88428 91.43886       27.78642 15.38000       46.73809 41.91821 7.020109 26.32550 10.95961 15.59271       13.01518 
1 1 1 -7  14 41 o 63.50678 3.861414 200.6229       23.88996 236.9756       34.71870 167.9321       32.92373 68.60540 5.209033 57.43419 5.942142 11.17121       7.902093 
1 1 1 -7  14 42 o 13.39279 6.402162 -30.11897      23.65892 -51.64000      32.80547 -6.794000      34.15272 14.83609 7.202060 19.89219 8.820730 -5.056100      11.38749 
1 1 1 -7  14 43 o 73.43849 3.751407 268.6455       26.87712 347.0741       41.20750 210.5780       35.45731 82.90479 5.102698 64.24764 5.697228 18.65714       7.648263 
1 1 1 -7  14 44 f 87.11416 4.250662 380.5096       36.13587 417.8356       45.64034 317.8000       59.15753 90.79156 5.156875 77.33551 7.926989 13.45605       9.456771 
1 1 1 -7  14 45 o 23.27617 7.677642 28.02355       20.29542 29.60121       29.98964 26.69047       27.56726 24.97327 9.247193 23.92858 8.864852 1.044691       12.81000 
1 1 1 -7  14 46 f 28.52908 7.419027 44.53017       20.90915 32.65809       30.22211 55.43013       28.95835 25.59433 9.314986 31.37014 8.976510 -5.775810      12.93626 
1 1 1 -7  14 47 o 41.21076 5.502527 88.24486       21.64205 108.0938       31.61041 70.73148       29.69249 44.66639 7.495330 35.41954 8.642134 9.246857       11.43969 
1 1 1 -7  14 48 o 30.80922 7.194852 52.01162       21.30238 53.91110       31.20769 50.35440       29.14973 30.70984 9.455478 29.81010 9.131045 0.8997402      13.14466 
1 1 1 -7  14 49 o 36.58406 7.351408 73.41463       25.41064 108.7558       32.53184 18.11000       40.69574 44.47987 7.753769 24.27815 10.17560 20.20172       12.79311 
1 1 1 -7  14 50 o 23.35234 7.759237 29.06584       20.71820 35.35828       31.22674 24.11774       27.69082 25.96096 9.465503 22.97670 8.802111 2.984259       12.92567 
1 1 1 -7  14 51 o 72.28218 4.206100 265.2071       29.63035 356.0000       56.51069 230.7816       34.79725 81.11974 7.191450 66.65703 5.378905 14.46271       8.980511 
1 1 1 -7  14 52 o 27.53355 8.590882 43.52881       25.66416 15.28167       32.57826 89.73000       41.66460 21.93280 9.141985 37.84649 10.74685 -15.91369      14.10924 
1 1 1 -7  14 53 o 63.99409 3.860456 207.1466       24.06913 210.2486       27.60132 197.3000       49.17529 64.15146 4.422656 58.67913 8.835478 5.472332       9.880565 
1 1 1 -7  14 54 o 37.35935 5.865489 74.57262       20.74331 81.76580       23.90272 52.63000       41.74755 38.78600 6.527589 29.71819 10.92686 9.067816       12.72814 
1 1 1 -7  14 55 f 23.00500 7.567797 28.92635       19.72362 20.77872       22.48983 56.07000       41.04919 21.03086 7.962056 30.32029 10.88008 -9.289433      13.48223 
1 1 1 -7  14 56 o 41.25961 5.522645 90.05254       21.74417 90.77433       24.83248 87.68000       45.02131 40.92028 6.410072 36.62567 11.37068 4.294613       13.05302 
1 1 1 -7  14 57 o 51.26407 4.582515 135.5828       22.75223 138.9377       26.02405 124.7000       46.87053 51.50493 5.234669 44.21724 10.89990 7.287697       12.09171 
1 1 1 -7  14 58 o 16.85563 7.023944 7.070573       19.22421 2.226724       21.36917 27.63000       44.02486 16.54116 7.163799 25.24601 10.58259 -8.704844      12.77933 
1 1 1 -7  14 59 o 10.41298 5.150936 -39.91055      19.39960 -33.77654      22.06598 -60.79000      40.71088 11.99890 5.843368 15.76390 7.731902 -3.764997      9.691607 
1 1 1 -7  14 60 o 32.04955 8.177634 61.41631       25.73450 32.81000       31.36877 120.3000       45.00535 24.38013 9.361174 42.56792 10.78909 -18.18779      14.28412 
1 1 1 -7  15 1  o 173.2199 4.479396 1470.830       75.88549 1471.803       93.92378 1469.000       128.7822 173.2038 5.547181 172.8510 7.630434 0.3527832      9.433702 
1 1 1 -7  15 2  o 216.8978 6.355025 2308.719       134.7752 2189.000       185.6886 2442.000       195.9250 210.8992 9.015865 222.7761 9.003484 -11.87692      12.74161 
1 1 1 -7  15 3  o 563.6204 10.53865 15628.54       581.4041 15794.66       828.8633 15467.64       815.7526 564.9065 15.00323 559.0582 14.92051 5.848267       21.15936 
1 1 1 -7  15 4  o 122.2999 4.502782 733.7339       53.81099 664.6000       77.09840 799.4000       75.13986 116.2035 6.808109 127.5500 6.035559 -11.34645      9.098259 
1 1 1 -7  15 5  f 147.1521 5.043029 1062.338       72.53069 975.9000       100.0709 1158.000       105.2746 140.8382 7.283817 153.4742 7.026447 -12.63603      10.12052 
1 1 1 -7  15 6  o 254.7985 5.854678 3182.954       146.0179 2913.000       240.9883 3339.555       183.5477 243.1199 10.14905 260.7762 7.197643 -17.65631      12.44224 
1 1 1 -7  15 7  o 46.01791 4.356073 104.6716       19.38775 70.92000       45.07672 112.3325       21.47564 37.75356 11.31123 47.65430 4.663664 -9.900745      12.23494 
1 1 1 -7  15 8  o 130.7994 3.295146 838.3515       42.15418 750.0853       58.29612 935.0831       61.02766 123.6246 4.826849 138.0724 4.521678 -14.44778      6.613928 
1 1 1 -7  15 9  o 283.9854 5.559837 3954.218       154.5483 3894.514       217.5531 4015.044       219.5897 281.4617 7.904419 285.7949 7.857122 -4.333160      11.14514 
1 1 1 -7  15 10 o 99.15829 3.044678 481.9417       29.51629 460.4111       43.07589 500.9982       40.52544 96.82206 4.558002 101.0402 4.106133 -4.218124      6.134796 
1 1 1 -7  15 11 o 69.42821 3.072540 236.5203       20.82872 227.4102       31.37523 243.6988       27.85118 67.95013 4.747124 70.40987 4.058334 -2.459747      6.245420 
1 1 1 -7  15 12 o 333.2039 6.410571 5449.435       209.0803 5444.708       295.8924 5454.149       295.4763 332.4503 9.101432 332.7435 9.080568 -0.2932739     12.85662 
1 1 1 -7  15 13 o 278.8995 5.472158 3815.338       149.3869 3800.549       211.3304 3830.109       211.1997 277.9383 7.775607 279.0245 7.740420 -1.086182      10.97152 
1 1 1 -7  15 14 o 174.5837 3.821275 1493.396       65.30075 1497.757       93.42142 1489.229       91.31309 174.6497 5.471526 174.1626 5.362776 0.4871063      7.661395 
1 1 1 -7  15 15 o 50.20385 4.575397 124.5834       22.23711 66.71000       47.10866 141.1759       25.22422 36.95956 11.65465 53.43600 4.876232 -16.47644      12.63362 
1 1 1 -7  15 16 o 109.6396 3.726580 589.7069       39.93488 493.4000       70.91883 634.4242       48.32485 99.91164 7.302112 113.6783 4.351003 -13.76662      8.500122 
1 1 1 -7  15 17 o 390.9295 7.449325 7517.872       285.0503 7591.001       407.0377 7447.490       399.3172 391.6538 10.62742 387.9724 10.52476 3.681366       14.95703 
1 1 1 -7  15 18 o 256.9114 5.898119 3241.282       148.3212 3382.079       187.3718 3005.000       242.7293 262.0938 7.310813 246.3683 10.08673 15.72551       12.45754 
1 1 1 -7  15 19 o 407.6677 8.956459 8200.449       357.3953 8487.877       448.5974 7701.000       591.3405 413.7126 11.08775 391.6371 15.45615 22.07559       19.02185 
1 1 1 -7  15 20 f 168.9654 4.418721 1401.114       73.01761 1519.000       135.3510 1352.723       86.71867 175.4136 7.903306 165.9127 5.346804 9.500916       9.542042 
1 1 1 -7  15 21 o 302.4971 5.899909 4495.813       174.6919 4647.549       252.9438 4357.435       241.5530 306.8268 8.430169 297.1241 8.313722 9.702759       11.84000 
1 1 1 -7  15 22 o 267.8096 7.537847 3536.476       197.4001 0.000000       0.000000 3536.476       197.4001 ?        ?        267.8096 7.537847 ?              ?        
1 1 1 -7  15 23 f 187.4217 4.732230 1725.131       86.74499 1603.000       148.9009 1787.876       106.7261 179.9667 8.476588 190.6498 5.725594 -10.68311      10.22912 
1 1 1 -7  15 24 o 284.4460 6.495565 3982.841       180.8519 3944.000       313.8024 4002.157       221.3009 281.1400 11.42703 284.6174 7.951359 -3.477448      13.92125 
1 1 1 -7  15 25 o 137.6509 4.075972 930.3964       54.85773 848.6000       96.03405 970.0148       66.83540 130.9251 7.525399 140.4560 4.868747 -9.530869      8.963054 
1 1 1 -7  15 26 o 184.4607 4.710946 1672.422       84.98898 1502.000       142.8296 1765.840       105.7474 173.9793 8.412076 189.3571 5.711876 -15.37779      10.16802 
1 1 1 -7  15 27 o 224.5039 4.615406 2476.313       101.4238 2287.065       136.3531 2710.708       151.7489 215.2565 6.478837 234.3188 6.622898 -19.06230      9.264886 
1 1 1 -7  15 28 o 146.3742 4.208404 1053.275       60.23336 1018.000       108.7225 1068.897       72.35151 143.1274 7.789878 147.3177 5.024845 -4.190308      9.269912 
1 1 1 -7  15 29 o 245.2401 4.956740 2960.730       118.9854 2946.390       167.5051 2975.336       169.0472 243.8319 7.025613 245.0145 7.056066 -1.182541      9.957273 
1 1 1 -7  15 30 o 159.9948 3.670578 1257.421       57.48394 1200.921       78.95073 1321.167       83.86037 155.9926 5.177833 163.6069 5.243366 -7.614243      7.369046 
1 1 1 -7  15 31 o 116.1778 3.229570 663.2783       36.69041 665.9972       51.03263 660.3691       52.78804 116.1946 4.495477 115.6655 4.672185 0.5291061      6.483720 
1 1 1 -7  15 32 o 151.5461 3.600161 1129.381       53.40389 1128.937       75.01488 1129.838       76.04465 151.0772 5.079962 151.1159 5.148574 -0.3872681E-01 7.232830 
1 1 1 -7  15 33 o 83.41861 3.199962 342.5385       26.08002 364.3506       35.76327 317.7643       38.11433 85.84813 4.269382 80.02921 4.888896 5.818916       6.490680 
1 1 1 -7  15 34 o 38.93597 4.517128 75.88747       16.89640 76.09145       20.85733 75.49805       28.81869 38.74662 5.667013 38.03456 7.995116 0.7120667      9.799843 
1 1 1 -7  15 35 o 72.69900 5.243355 263.8584       37.06094 236.5000       58.40501 282.3000       47.95165 67.48992 9.070508 74.78369 6.619017 -7.293770      11.22878 
1 1 1 -7  15 36 o 28.16979 9.016303 40.27545       28.10568 24.92000       49.92448 47.40000       34.00643 28.67739 11.55985 30.51405 9.930982 -1.836655      15.23990 
1 1 1 -7  15 37 o 87.15578 4.064016 376.6129       34.57486 369.1000       66.28614 379.4209       40.52422 84.69231 8.094359 87.27254 4.761890 -2.580231      9.391179 
1 1 1 -7  15 38 o 64.15796 5.362339 206.9530       33.36755 0.000000       0.000000 206.9530       33.36755 ?        ?        64.15796 5.362339 ?              ?        
1 1 1 -7  15 39 o 20.63363 7.096234 20.04016       17.33367 13.37708       22.48931 29.79096       27.20561 20.08307 7.866425 25.15792 8.875087 -5.074858      11.85950 
1 1 1 -7  15 40 o 20.89119 7.288904 20.35358       18.31641 25.93281       24.45185 13.22033       27.64830 23.63708 8.406700 21.41756 8.613400 2.219522       12.03592 
1 1 1 -7  15 41 o 29.74040 7.773749 47.30907       22.87874 47.14648       26.39686 47.80000       45.86835 29.66483 8.595675 31.28259 11.46150 -1.617765      14.32660 
1 1 1 -7  15 42 o 60.62685 4.723011 185.0747       27.80689 197.4648       33.57186 158.0000       49.62724 62.30457 5.563369 53.58292 9.824019 8.721645       11.28993 
1 1 1 -7  15 43 o 37.53545 8.182344 76.75711       29.21227 51.75000       36.16561 123.7000       49.55060 30.84177 10.25170 46.26939 11.08613 -15.42762      15.09966 
1 1 1 -7  15 44 o 63.90127 3.882649 204.5235       24.17072 275.4851       35.64652 144.1296       32.88531 73.68225 4.971622 52.47039 6.544883 21.21186       8.219033 
1 1 1 -7  15 45 o 42.99255 5.067362 94.84547       20.91545 126.5741       30.88364 67.96439       28.42670 49.02462 6.603665 34.94779 8.411891 14.07682       10.69431 
1 1 1 -7  15 46 o 23.73716 7.454447 30.03033       19.29135 19.34086       28.03529 39.64354       26.58650 22.24658 8.762121 26.98035 8.780969 -4.733772      12.40484 
1 1 1 -7  15 47 o 53.85607 4.344592 146.9758       22.70864 191.7458       33.74809 109.9328       30.69791 60.82765 5.735878 45.19503 7.179028 15.63262       9.189055 
1 1 1 -7  15 48 o 49.93095 5.335229 129.0260       25.67168 170.9006       33.32652 67.92000       40.25841 57.11283 6.053484 33.69182 10.79169 23.42101       12.37357 
1 1 1 -7  15 49 o 68.30216 4.619731 237.8516       30.70398 273.8492       38.19503 172.1000       51.62065 72.78711 5.399457 54.13799 10.11305 18.64912       11.46420 
1 1 1 -7  15 50 f 31.59065 9.153728 58.30505       29.93558 61.78000       42.24430 54.80000       42.42690 31.97847 11.07457 30.57829 11.04978 1.400177       15.64429 
1 1 1 -7  15 51 o 53.14602 4.135015 143.6853       21.34152 143.6266       24.08541 143.9000       46.04048 52.84369 4.705615 49.13442 9.915258 3.709270       10.97521 
1 1 1 -7  15 52 o 19.87908 7.296880 18.90100       18.60459 16.25609       20.93864 28.82000       40.54872 19.64021 7.619559 25.44750 10.35952 -5.807297      12.85991 
1 1 1 -7  15 53 o 30.73527 6.829503 52.34531       20.01283 50.81208       22.81613 57.46000       41.67222 29.85402 7.743151 30.67570 10.96765 -0.8216820     13.42557 
1 1 1 -7  15 54 o 34.14078 6.336427 63.43200       20.39562 66.79743       23.38886 52.75000       41.66922 34.61486 7.140152 29.66482 10.91501 4.950045       13.04297 
1 1 1 -7  15 55 o 36.45267 5.892262 71.25595       20.30722 84.87856       23.09744 24.87000       42.62132 39.70613 6.140915 24.95427 10.43309 14.75186       12.10621 
1 1 1 -7  15 56 o 67.00901 3.784879 227.4758       24.72420 219.8491       28.04273 254.1000       52.39486 65.48479 4.400501 66.94295 8.164814 -1.458153      9.275160 
1 1 1 -7  15 57 o 12.80583 5.956212 -12.92074      18.07002 4.587447       19.98451 -91.39000      42.30802 16.59950 7.052556 14.63889 7.301871 1.960611       10.15164 
1 1 1 -7  15 58 o 25.82921 7.400852 38.24031       19.67170 46.90409       22.00850 3.818000       43.86890 28.42262 7.714869 22.04761 9.872077 6.375017       12.52905 
1 1 1 -7  15 59 o 20.96265 7.788185 22.50395       21.30551 14.16167       24.53065 48.12000       42.98557 19.57973 8.024476 27.97913 10.89975 -8.399391      13.53502 
1 1 1 -7  16 1  o 138.1069 3.966152 935.0646       53.56005 914.7000       93.19422 945.1084       65.44851 136.3470 7.006417 138.7914 4.824943 -2.444336      8.507053 
1 1 1 -7  16 2  o 344.0945 9.389321 5827.432       315.9454 5369.000       422.6621 6408.000       475.6443 329.3802 13.13595 359.7687 13.53092 -30.38852      18.85839 
1 1 1 -7  16 3  o 267.2782 6.127320 3503.672       160.3025 3447.301       194.7794 3622.000       282.1987 264.8718 7.520400 270.9680 10.66054 -6.096191      13.04621 
1 1 1 -7  16 4  o 448.7121 9.790328 9908.479       430.0027 10300.00       765.2409 9727.809       519.8337 454.5684 17.22977 443.8397 11.97648 10.72867       20.98335 
1 1 1 -7  16 5  o 459.3175 8.657291 10371.23       389.2255 10356.26       550.5122 10386.19       550.3837 457.7952 12.29654 458.4643 12.27566 -0.6690979     17.37518 
1 1 1 -7  16 6  o 61.99071 3.718122 188.9088       22.45722 215.5000       49.32592 181.9556       25.22299 65.77721 7.813638 60.79111 4.265952 4.986092       8.902319 
1 1 1 -7  16 7  o 240.3227 5.574045 2832.198       131.1208 2850.000       230.2569 2823.655       159.5098 240.3843 9.806479 239.7485 6.804008 0.6357880      11.93573 
1 1 1 -7  16 8  o 171.3892 4.368517 1440.371       73.22674 1428.000       130.1401 1446.102       88.57957 170.2911 7.828463 171.6548 5.278223 -1.363739      9.441635 
1 1 1 -7  16 9  o 356.3581 6.819837 6235.175       237.8849 6285.138       339.5131 6186.993       333.4100 357.0609 9.723273 354.2863 9.623220 2.774567       13.68022 
1 1 1 -7  16 10 o 142.1116 3.383404 989.2260       47.06409 922.5200       65.66283 1059.701       67.49221 137.0870 4.901360 146.9555 4.698075 -9.868484      6.789348 
1 1 1 -7  16 11 o 225.9320 4.593481 2502.191       101.5841 2481.918       143.7496 2522.414       143.5738 224.7377 6.541644 226.5737 6.480462 -1.835999      9.208121 
1 1 1 -7  16 12 o 162.5420 3.639088 1294.367       57.89810 1224.956       80.31470 1369.467       83.54112 157.9533 5.201790 167.0286 5.115824 -9.075241      7.295908 
1 1 1 -7  16 13 o 27.41806 5.393835 38.16151       13.95983 33.81897       22.33688 40.94472       17.88230 26.18800 7.987596 28.31088 6.578702 -2.122889      10.34799 
1 1 1 -7  16 14 o 200.2462 4.195718 1965.469       82.23879 1932.903       115.7196 1998.701       116.8957 198.3371 5.967481 201.6929 5.927522 -3.355789      8.411085 
1 1 1 -7  16 15 o 183.8900 3.960308 1657.358       71.28421 1635.786       100.8748 1678.876       100.7475 182.4666 5.654805 184.8666 5.573988 -2.399979      7.940161 
1 1 1 -7  16 16 o 279.4428 5.497007 3832.808       150.3576 3940.652       217.4872 3734.074       208.0989 282.8128 7.864120 275.3257 7.729419 7.487183       11.02671 
1 1 1 -7  16 17 o 108.6194 3.574453 578.7836       37.95171 571.8677       47.85936 590.5000       62.29331 107.8893 4.542082 109.5022 5.832865 -1.612953      7.392755 
1 1 1 -7  16 18 o 189.2186 4.649673 1756.258       86.11771 1821.906       108.5921 1645.000       141.3686 192.5197 5.769087 182.5646 7.929888 9.955093       9.806400 
1 1 1 -7  16 19 o 122.6344 3.270910 737.4236       39.22828 722.1549       55.12480 753.0890       55.83636 121.2399 4.653743 123.8169 4.615211 -2.577026      6.554197 
1 1 1 -7  16 20 f 354.6599 7.862416 6199.474       272.9445 6103.000       465.6102 6249.983       336.9018 349.1855 13.64889 355.3264 9.695621 -6.140961      16.74208 
1 1 1 -7  16 21 o 113.0752 3.542580 627.3253       39.16129 592.9000       61.90933 650.2880       50.56252 109.6935 5.786393 115.0417 4.498890 -5.348190      7.329553 
1 1 1 -7  16 22 o 172.0755 5.623136 1456.620       94.58456 1369.000       131.3455 1551.000       136.3187 166.3537 8.090599 177.1373 7.881846 -10.78362      11.29519 
1 1 1 -7  16 23 o 157.6734 3.633885 1218.972       56.08358 1223.581       79.72208 1214.455       78.91244 157.7388 5.170365 157.1536 5.136872 0.5851135      7.288355 
1 1 1 -7  16 24 o 286.5797 6.547797 4045.085       183.6736 3750.000       305.3962 4212.309       229.9002 273.9417 11.41437 291.8613 8.055122 -17.91962      13.97042 
1 1 1 -7  16 25 o 163.3057 4.398505 1310.342       70.24526 1203.000       121.7170 1363.948       86.01533 155.7538 8.010652 166.4714 5.285433 -10.71758      9.597205 
1 1 1 -7  16 26 o 172.7051 4.553436 1466.334       76.90801 1321.000       131.1251 1542.550       94.95613 163.0777 8.241293 176.9620 5.488608 -13.88429      9.901704 
1 1 1 -7  16 27 o 38.60811 4.376804 74.16743       16.24878 65.19147       20.03871 91.39938       27.76492 35.90771 5.906516 42.47559 6.915776 -6.567883      9.094771 
1 1 1 -7  16 28 o 180.1144 3.953590 1593.629       69.70216 1608.767       98.92234 1578.702       98.22881 180.5453 5.604389 178.8450 5.618171 1.700317       7.935555 
1 1 1 -7  16 29 o 135.5504 4.095847 904.1353       54.28154 812.0000       96.16745 947.2150       65.75845 127.5553 7.738763 138.5945 4.854790 -11.03928      9.135504 
1 1 1 -7  16 30 o 55.51304 3.433422 151.9556       18.56512 122.3967       23.33502 202.9310       30.64388 49.59044 4.870078 63.96182 4.932675 -14.37138      6.931735 
1 1 1 -7  16 31 o 54.21308 3.479851 145.0625       18.36841 148.1928       23.25000 139.8640       29.96202 54.66440 4.381894 52.80968 5.896826 1.854725       7.346669 
1 1 1 -7  16 32 o 85.56197 3.139927 360.2376       26.25242 325.2793       34.59303 407.7126       40.31299 81.08807 4.374579 90.77136 4.551745 -9.683296      6.313108 
1 1 1 -7  16 33 o 137.4975 3.447153 930.9659       46.35741 948.8288       65.53461 913.0760       65.58398 138.3999 4.845061 135.7303 4.944715 2.669586       6.922776 
1 1 1 -7  16 34 o 45.71032 4.203594 104.0681       18.59748 113.3263       21.57835 77.33000       36.67063 47.61933 4.690259 38.07875 9.785964 9.540581       10.85189 
1 1 1 -7  16 35 o 58.56097 3.828361 170.0070       21.82427 186.7885       26.43675 134.1000       38.67069 61.26482 4.438598 50.82774 8.039883 10.43708       9.183728 
1 1 1 -7  16 36 o 94.87180 4.244261 446.5044       39.31376 396.6000       47.34023 557.4000       70.56969 89.00631 5.460073 104.9019 6.911222 -15.89558      8.807802 
1 1 1 -7  16 37 o 65.51437 3.759473 212.8430       24.00725 264.9000       35.30408 168.0645       32.74313 72.76987 4.986546 57.61900 5.888316 15.15087       7.716081 
1 1 1 -7  16 38 o 39.72993 4.730147 79.60876       18.03418 70.52684       23.13401 93.67747       28.79313 36.83215 6.661952 42.40625 7.193504 -5.574097      9.804494 
1 1 1 -7  16 39 o 44.80091 6.175666 103.0084       26.36209 99.57000       57.65053 103.9175       29.64278 41.85497 12.84506 44.71779 7.001826 -2.862827      14.62946 
1 1 1 -7  16 40 o 18.89972 7.828887 6.682384       23.68137 -45.08000      51.73409 20.40361       26.63582 20.89955 9.835323 22.68268 8.646712 -1.783131      13.09577 
1 1 1 -7  16 41 o 39.30315 6.893938 81.17763       25.55504 36.29000       56.36318 92.79301       28.67141 30.54549 12.29329 41.94469 7.245276 -11.39920      14.26952 
1 1 1 -7  16 42 o 49.77373 8.014458 132.5580       37.72078 117.9000       59.51440 142.4000       48.76704 44.23772 12.93223 50.35739 10.24278 -6.119671      16.49719 
1 1 1 -7  16 43 o 17.67158 6.850123 11.35943       16.91263 -0.8224983     21.78529 29.83873       26.83169 16.60066 7.211122 24.63765 8.801570 -8.036997      11.37840 
1 1 1 -7  16 44 o 25.60001 8.153795 35.06554       23.00762 42.04000       27.03969 16.77000       43.79446 27.77075 8.838787 25.06779 10.53435 2.702959       13.75125 
1 1 1 -7  16 45 o 43.18169 5.628848 96.88087       23.22594 122.0067       27.39280 32.62000       43.80759 48.39708 5.904532 27.34882 10.89499 21.04826       12.39211 
1 1 1 -7  16 46 o 28.46841 7.773887 44.84484       22.26796 35.52962       26.14117 69.48000       42.51146 25.78517 8.717716 34.20128 11.10162 -8.416113      14.11540 
1 1 1 -7  16 47 o 17.28505 7.688979 -4.743661      26.15816 -4.743661      26.15816 0.000000       0.000000 17.28505 7.688979 ?        ?        ?              ?        
1 1 1 -7  16 48 o 34.84590 7.501508 67.12173       24.82834 60.06675       29.86187 82.92000       44.68621 32.25354 9.077550 36.65122 11.31986 -4.397678      14.51003 
1 1 1 -7  16 49 o 25.54356 7.260093 36.02367       19.00580 32.91542       21.34106 47.94000       41.78586 24.54827 7.856637 29.33643 10.90552 -4.788157      13.44088 
1 1 1 -7  16 50 o 27.43312 6.972260 41.76906       18.75859 33.55222       20.92446 75.41000       42.33854 24.61984 7.767917 34.68518 11.06244 -10.06534      13.51732 
1 1 1 -7  16 51 o 36.44412 5.638245 70.49485       19.46426 74.67090       21.91448 54.89000       42.36217 37.22163 6.235246 30.25904 11.02596 6.962584       12.66689 
1 1 1 -7  16 52 o 56.66173 4.087389 163.2588       22.51715 163.3363       25.66951 163.0000       46.89750 56.34056 4.697386 52.67802 9.442076 3.662537       10.54601 
1 1 1 -7  16 53 o 48.66416 4.339979 121.3689       20.45627 123.5774       23.11784 113.4000       43.91277 48.80952 4.905221 42.62711 10.57544 6.182415       11.65766 
1 1 1 -7  16 54 o 22.28698 7.237389 27.03599       18.06638 27.50276       20.10683 25.08000       41.15973 22.57213 7.645528 24.78733 10.29917 -2.215202      12.82680 
1 1 1 -7  16 55 o 49.07923 4.535159 124.0993       21.54064 119.8533       24.34673 139.4000       46.21702 47.80242 5.291886 47.65714 10.21461 0.1452751      11.50401 
1 1 1 -7  16 56 o 42.25600 5.146230 93.74509       20.84703 102.8782       23.53475 60.47000       44.92205 44.03526 5.585618 30.90577 11.33950 13.12949       12.64055 
1 1 1 -7  16 57 o 35.97793 5.824540 69.76842       19.81117 78.16781       21.98755 33.53000       45.67071 37.94408 6.128883 26.25570 10.87372 11.68837       12.48202 
1 1 1 -7  16 58 o 48.49794 5.072191 123.7254       23.72261 134.4027       27.63491 93.82000       46.24905 50.09352 5.739511 36.89141 11.53587 13.20211       12.88480 
1 1 1 -7  16 59 o 32.09608 6.495395 57.59849       19.70496 65.40820       22.03650 26.44000       44.01628 34.02844 6.853251 24.62060 10.46377 9.407841       12.50830 
1 1 1 -7  17 1  o 332.3562 6.403737 5420.827       208.3260 5722.000       433.2449 5330.246       237.5974 339.7697 13.05121 329.4228 7.368547 10.34695       14.98765 
1 1 1 -7  17 2  o 325.8653 8.936661 5228.628       284.7799 5040.000       393.5336 5436.000       412.6236 318.9658 12.62964 331.2400 12.75019 -12.27423      17.94645 
1 1 1 -7  17 3  o 305.1228 8.435339 4581.846       251.6903 4249.000       338.9416 4991.000       375.7916 293.0282 11.84144 317.5434 12.11253 -24.51517      16.93910 
1 1 1 -7  17 4  o 183.8138 4.628240 1657.090       83.20599 1422.000       133.8187 1805.266       106.2398 169.8863 8.070413 191.7631 5.666208 -21.87677      9.860907 
1 1 1 -7  17 5  o 295.6740 8.198909 4302.104       237.0587 4562.000       351.3829 4085.000       321.1558 303.5885 11.84741 287.3647 11.44050 16.22382       16.46955 
1 1 1 -7  17 6  o 144.9398 4.823399 1030.998       68.33476 968.4000       97.67926 1091.000       95.63313 140.2288 7.139876 148.9290 6.576503 -8.700241      9.707123 
1 1 1 -7  17 7  o 128.4881 3.764832 809.5237       47.29837 916.6000       92.09426 771.1611       55.12388 136.4370 6.918537 125.3518 4.499955 11.08517       8.253226 
1 1 1 -7  17 8  f 276.4192 6.283922 3750.699       170.0220 3427.000       279.7066 3940.394       214.1213 263.2194 10.87967 283.0008 7.737017 -19.78143      13.35023 
1 1 1 -7  17 9  o 112.1868 3.611861 617.2347       39.61070 664.1000       76.81934 600.2614       46.23050 116.0820 6.790473 110.5855 4.279022 5.496506       8.026241 
1 1 1 -7  17 10 o 131.0968 3.742960 842.7593       47.98092 912.3000       87.43846 812.7977       57.39389 136.1358 6.581314 128.6818 4.563842 7.453995       8.008892 
1 1 1 -7  17 11 o 161.1366 3.642952 1272.179       57.45844 1208.884       80.57160 1337.679       81.96329 156.8954 5.253862 165.0685 5.078857 -8.173126      7.307384 
1 1 1 -7  17 12 o 61.03970 3.250932 183.0342       19.35340 163.9442       30.42184 196.0126       25.08378 57.54470 5.466569 63.10769 4.082642 -5.562984      6.822854 
1 1 1 -7  17 13 o 101.8115 3.066642 508.2066       30.52607 487.3629       44.34477 526.9798       42.08461 99.59066 4.561127 103.6010 4.158497 -4.010368      6.172275 
1 1 1 -7  17 14 o 216.1017 4.444725 2289.894       94.01760 2280.164       133.3638 2299.507       132.5618 215.3401 6.334013 216.2626 6.268870 -0.9225464     8.911703 
1 1 1 -7  17 15 o 13.30212 5.770175 -2.238307      13.90854 -5.759431      21.65412 0.2345346      18.14672 16.17217 7.103336 15.84585 6.725935 0.3263197      9.782413 
1 1 1 -7  17 16 o 203.9760 4.911737 2041.398       98.06644 1997.417       119.7396 2131.000       170.9079 201.5419 6.076627 207.7315 8.422769 -6.189590      10.38597 
1 1 1 -7  17 17 o 77.47292 3.196937 294.5734       24.19113 279.3206       34.01139 310.1903       34.41504 75.31702 4.635906 79.40288 4.445735 -4.085854      6.423097 
1 1 1 -7  17 18 o 84.95444 3.995344 354.6363       33.13050 364.5000       46.53745 344.5000       47.17630 85.97249 5.559966 83.54114 5.805337 2.431351       8.038356 
1 1 1 -7  17 19 o 148.7029 4.004405 1085.036       58.23286 1176.000       102.1843 1041.285       70.86639 154.4505 6.775584 145.5673 4.980930 8.883179       8.409411 
1 1 1 -7  17 20 o 272.2927 7.582068 3657.406       201.8863 3643.000       284.5905 3672.000       286.4393 270.6804 10.76277 271.7465 10.79013 -1.066040      15.24021 
1 1 1 -7  17 21 o 230.3043 6.572269 2612.915       148.0060 2482.000       202.2055 2764.000       217.2246 223.7366 9.253118 236.0702 9.419646 -12.33357      13.20416 
1 1 1 -7  17 22 o 141.7513 4.075923 986.5380       56.49475 1008.000       104.9316 977.7774       67.04080 142.7425 7.536829 141.0248 4.863937 1.717667       8.970044 
1 1 1 -7  17 23 o 217.7760 5.246244 2330.923       111.8317 2196.000       191.4128 2400.845       137.7953 210.2281 9.325157 220.7044 6.385189 -10.47633      11.30173 
1 1 1 -7  17 24 f 188.5454 4.059844 1744.696       74.92582 1773.262       107.4382 1717.648       104.5433 189.7224 5.792191 186.7347 5.726360 2.987656       8.144979 
1 1 1 -7  17 25 o 147.7682 4.209228 1073.059       60.82006 975.3000       107.4189 1119.185       73.78645 140.1456 7.862121 150.7862 5.006235 -10.64059      9.320694 
1 1 1 -7  17 26 o 88.68992 3.991179 387.0288       34.55950 338.0000       67.94245 404.1419       40.14027 82.04457 8.587342 90.56338 4.542661 -8.518806      9.714845 
1 1 1 -7  17 27 o 237.8320 4.844203 2783.973       112.7714 2612.534       153.3437 2985.906       166.4236 229.6584 6.829047 245.4900 6.932821 -15.83162      9.731387 
1 1 1 -7  17 28 o 133.2593 4.065019 873.8121       52.96126 820.9000       95.67796 897.1864       63.59231 128.2750 7.654973 134.8840 4.824340 -6.609039      9.048363 
1 1 1 -7  17 29 o 52.28148 3.605012 134.9533       18.33554 133.7314       23.57554 136.8239       29.16928 51.88554 4.692724 52.28751 5.796558 -0.4019775     7.457998 
1 1 1 -7  17 30 o 76.86282 3.140082 290.6552       23.57481 289.7318       31.72360 291.7939       35.23123 76.57504 4.249083 76.76468 4.711481 -0.1896362     6.344506 
1 1 1 -7  17 31 o 87.63185 3.548990 378.4005       30.37900 375.0176       36.91387 385.5000       53.47615 87.09187 4.343889 87.83124 6.261270 -0.7393646     7.620556 
1 1 1 -7  17 32 o 78.09601 3.134765 300.3248       23.91425 300.2950       32.08276 300.3621       35.87357 77.89923 4.223374 77.79882 4.733204 0.1004105      6.343509 
1 1 1 -7  17 33 o 69.61707 3.564768 239.3948       24.21056 267.1130       29.57631 183.1000       42.14978 73.43478 4.131339 59.91434 7.340333 13.52045       8.423091 
1 1 1 -7  17 34 o 31.32029 5.255402 50.05244       15.54144 60.65936       18.07096 19.92000       30.45816 34.48399 5.541429 23.71795 9.193054 10.76604       10.73404 
1 1 1 -7  17 35 o 31.25633 4.941266 49.69003       14.61566 50.48343       17.82089 48.05984       25.54470 31.25283 6.044128 30.18626 8.359384 1.066574       10.31556 
1 1 1 -7  17 36 o 60.36100 3.671725 180.6481       21.59105 214.7000       30.66605 147.1749       30.40433 65.53439 4.814197 53.89887 5.857080 11.63551       7.581680 
1 1 1 -7  17 37 o 14.63109 5.994043 4.096136       13.68060 -5.183710      16.37399 25.55175       24.89744 13.72937 6.096696 23.68737 8.476532 -9.957999      10.44133 
1 1 1 -7  17 38 o 37.94416 4.610735 72.66214       16.77358 84.22496       21.24525 53.52629       27.33089 40.65767 5.477651 31.60198 8.605367 9.055683       10.20083 
1 1 1 -7  17 39 o 32.04309 5.435707 52.86089       16.44026 74.81367       20.79425 16.26156       26.84943 38.16304 5.744613 21.82000 8.580687 16.34304       10.32612 
1 1 1 -7  17 40 o 19.32701 6.739242 17.41377       15.65679 25.35541       19.51608 3.072075       26.22634 22.58290 7.531491 18.97224 8.070611 3.610659       11.03894 
1 1 1 -7  17 41 o 44.32845 5.135149 100.1339       21.86970 91.01266       24.55706 135.1000       48.08083 41.86805 6.177573 49.04152 10.34228 -7.173470      12.04679 
1 1 1 -7  17 42 o 65.78519 3.479896 215.5340       22.32817 252.7293       30.74210 174.0057       32.48339 70.86980 4.454183 58.19177 5.779157 12.67803       7.296465 
1 1 1 -7  17 43 f 33.06948 5.493271 57.00600       17.15775 73.88019       23.35947 37.23668       25.28409 37.28231 6.644785 26.36578 8.561893 10.91654       10.83786 
1 1 1 -7  17 44 o 49.12208 4.989454 123.4491       23.65781 167.3000       56.30624 114.0482       26.07070 53.22233 11.16516 46.83947 5.810909 6.382862       12.58679 
1 1 1 -7  17 45 o 41.42290 11.23325 103.7000       46.68540 0.000000       0.000000 103.7000       46.68540 ?        ?        41.42290 11.23325 ?              ?        
1 1 1 -7  17 46 o 45.46001 5.867741 108.1055       25.50161 108.1055       25.50161 0.000000       0.000000 45.46001 5.867741 ?        ?        ?              ?        
1 1 1 -7  17 47 o 37.56474 5.903061 74.56766       20.99011 82.63901       23.95275 47.86000       43.57127 39.32055 6.446634 29.59863 11.10923 9.721912       12.84423 
1 1 1 -7  17 48 o 25.59898 7.726382 36.28376       20.97538 48.04000       24.19321 0.6970000      42.09236 29.13523 8.160252 22.07134 9.789470 7.063894       12.74454 
1 1 1 -7  17 49 o 16.21332 6.566204 7.683926       16.19208 2.817570       17.59957 34.51000       41.32174 15.55032 6.613009 26.70672 10.60016 -11.15641      12.49381 
1 1 1 -7  17 50 o 20.95193 8.016476 19.81058       22.94932 20.32808       27.59558 18.65000       41.32556 21.93118 8.675924 24.04766 10.17607 -2.116472      13.37251 
1 1 1 -7  17 51 o 30.59163 8.062545 53.81775       24.47840 29.55684       29.61823 106.1000       43.47932 24.16399 9.139673 41.16300 10.69540 -16.99901      14.06859 
1 1 1 -7  17 52 o 31.02892 7.824945 55.09291       23.75794 47.33410       28.92232 71.19000       41.65900 28.39257 9.152042 33.47614 10.99771 -5.083565      14.30768 
1 1 1 -7  17 53 o 26.80066 8.163308 41.26885       23.34100 28.54549       28.40527 67.72000       40.95626 23.70560 8.954089 32.68358 10.91073 -8.977982      14.11453 
1 1 1 -7  17 54 o 54.27416 5.221248 153.9186       27.39605 176.9588       33.76173 109.5000       46.87749 57.59798 6.080049 41.02166 11.31034 16.57631       12.84098 
1 1 1 -7  17 55 o 36.65495 7.391654 75.76483       25.60398 87.68803       31.10725 50.72000       45.08419 38.76628 8.437946 29.15442 11.21533 9.611864       14.03504 
1 1 1 -7  17 56 o 20.07016 8.569097 9.226506       29.75808 9.226506       29.75808 0.000000       0.000000 20.07016 8.569097 ?        ?        ?              ?        
1 1 1 -7  17 57 o 31.38887 6.958339 55.61994       20.81747 53.58538       23.67306 62.56000       43.72211 30.26680 7.905684 30.94024 11.21212 -0.6734447     13.71902 
1 1 1 -7  17 58 o 26.45984 6.770011 39.82090       17.60393 42.05311       19.32547 28.94000       42.66726 27.00356 7.185793 24.85298 10.41802 2.150583       12.65586 
1 1 1 -7  18 1  o 185.3074 4.018424 1682.670       72.88781 1686.000       147.2166 1681.588       83.89166 184.9586 8.151625 185.2106 4.627503 -0.2520447     9.373514 
1 1 1 -7  18 2  o 234.9330 4.770861 2705.977       109.7102 2781.000       224.3619 2682.401       125.7725 237.3295 9.678393 233.8406 5.494898 3.488876       11.12947 
1 1 1 -7  18 3  o 106.7535 4.338247 559.4828       45.23734 0.000000       0.000000 559.4828       45.23734 ?        ?        106.7535 4.338247 ?              ?        
1 1 1 -7  18 4  o 90.32545 4.837646 401.1703       42.61507 406.4000       62.77423 396.7000       58.03769 90.66814 7.130617 89.63064 6.662925 1.037506       9.759112 
1 1 1 -7  18 5  o 200.1336 4.900562 1964.022       96.00021 1851.000       161.4963 2025.783       119.3827 193.7293 8.537466 203.0699 6.012679 -9.340607      10.44225 
1 1 1 -7  18 6  o 35.63254 4.677034 63.31292       15.91917 58.47000       43.71856 64.05320       17.09260 34.87907 11.25294 35.79482 5.015926 -0.9157562     12.32023 
1 1 1 -7  18 7  o 31.77586 4.875563 50.65533       14.68108 46.54000       43.68228 51.17937       15.58781 32.39060 11.25905 31.89829 5.169185 0.4923077      12.38898 
1 1 1 -7  18 8  o 196.1861 4.791332 1887.400       92.00908 1738.000       154.8282 1968.966       114.4009 187.6875 8.449353 200.2004 5.844178 -12.51286      10.27356 
1 1 1 -7  18 9  o 159.4511 4.197115 1247.120       65.44958 1160.000       113.8878 1290.080       79.97505 153.3750 7.609827 162.0958 5.046683 -8.720779      9.131182 
1 1 1 -7  18 10 o 47.86539 4.045927 113.0964       18.77859 111.2000       47.36808 113.4500       20.45463 46.51389 10.63595 47.90191 4.412007 -1.388016      11.51474 
1 1 1 -7  18 11 o 115.4560 3.184727 653.5165       35.95671 623.2225       52.53056 680.2226       49.32190 112.6228 4.776025 117.7124 4.287829 -5.089645      6.418403 
1 1 1 -7  18 12 f 140.1322 3.391218 962.1512       46.51574 971.9725       67.99184 953.5098       63.77669 140.6699 4.945676 139.3521 4.682302 1.317764       6.810555 
1 1 1 -7  18 13 o 276.7304 5.447466 3759.232       147.5563 3768.135       209.9046 3750.535       207.4689 276.5225 7.762743 275.8931 7.690060 0.6293945      10.92690 
1 1 1 -7  18 14 o 129.6317 3.784114 824.3687       47.96414 797.0598       60.39738 871.0000       78.92325 127.3669 4.853451 133.0089 6.078096 -5.641914      7.778126 
1 1 1 -7  18 15 o 94.05014 3.498211 434.0811       32.14801 430.5342       42.35809 438.9000       49.37194 93.56829 4.639359 94.40014 5.365289 -0.8318481     7.092952 
1 1 1 -7  18 16 o 180.9812 3.945200 1605.847       69.88897 1632.498       100.7629 1581.140       97.01922 182.2217 5.656146 179.3473 5.533202 2.874374       7.912541 
1 1 1 -7  18 17 f 106.5104 3.529245 556.6275       36.74347 548.1000       61.92061 561.2621       45.64914 105.4333 6.025086 106.8812 4.372634 -1.447899      7.444569 
1 1 1 -7  18 18 o 62.44588 3.783693 191.8792       23.01883 192.1000       37.10472 191.7411       29.34931 62.20394 6.175493 62.31544 4.849833 -0.1115074     7.852235 
1 1 1 -7  18 19 o 185.5601 4.582120 1689.787       83.22569 1580.000       137.3767 1753.444       104.6073 178.7875 7.869277 188.8029 5.666816 -10.01538      9.697336 
1 1 1 -7  18 20 o 142.6701 4.702118 1000.347       65.57511 968.3000       90.97748 1035.000       94.60318 140.0702 6.654658 144.8178 6.691960 -4.747574      9.437521 
1 1 1 -7  18 21 o 213.4185 6.419417 2244.581       133.9491 2173.000       187.6176 2319.000       191.3016 209.2325 9.183268 216.1998 9.059843 -6.967255      12.90012 
1 1 1 -7  18 22 o 92.17538 3.795741 417.4845       34.17335 427.9000       69.03486 414.1039       39.33017 92.75951 7.671876 91.73866 4.392693 1.020844       8.840443 
1 1 1 -7  18 23 o 320.1691 6.225819 5050.951       195.1111 5015.161       275.2639 5087.088       276.5986 317.8197 8.856985 320.1029 8.836287 -2.283264      12.51104 
1 1 1 -7  18 24 o 167.0072 4.431794 1371.172       72.38305 1417.000       133.1984 1351.968       86.22582 168.9087 8.079823 165.6685 5.324215 3.240234       9.676301 
1 1 1 -7  18 25 o 191.8535 4.114843 1808.020       77.27326 1664.238       104.5555 1981.089       114.7109 183.6410 5.823988 200.3684 5.855114 -16.72737      8.258401 
1 1 1 -7  18 26 o 240.1466 4.878367 2839.064       114.6720 2947.267       166.1284 2740.591       158.4829 243.8445 6.967389 235.1643 6.892450 8.680222       9.800529 
1 1 1 -7  18 27 o 111.5784 3.922308 612.6586       42.77126 495.2000       77.95470 663.2468       51.15933 99.38074 8.083457 115.9980 4.514380 -16.61723      9.258613 
1 1 1 -7  18 28 o 189.5700 4.093445 1768.263       75.95648 1771.683       107.6325 1764.870       107.2062 189.1503 5.820323 188.7904 5.808320 0.3598633      8.222696 
1 1 1 -7  18 29 o 89.04295 3.084824 389.8568       26.84600 358.5627       36.13981 428.3854       40.10027 85.19037 4.348387 93.12318 4.411842 -7.932816      6.194581 
1 1 1 -7  18 30 o 53.16308 3.475341 139.6009       17.98565 133.4471       23.07585 149.1250       28.70774 51.79226 4.599625 54.60461 5.443553 -2.812355      7.126627 
1 1 1 -7  18 31 o 119.8726 3.261429 707.2454       38.23230 695.5362       53.35126 719.6063       54.81576 118.5435 4.606682 120.5665 4.653599 -2.022957      6.548091 
1 1 1 -7  18 32 o 34.27050 4.799141 59.25916       15.65798 57.24541       18.19816 65.00000       30.72642 33.45924 5.764585 35.05734 8.930595 -1.598095      10.62949 
1 1 1 -7  18 33 o 125.6429 3.289210 778.0714       40.41682 782.3425       57.05257 773.7686       57.26405 125.5479 4.650621 124.8406 4.694555 0.7072830      6.608111 
1 1 1 -7  18 34 o 76.70923 3.550170 290.9190       26.58421 312.7627       33.55588 254.1000       43.56541 79.34955 4.336828 70.88417 6.346007 8.465378       7.686344 
1 1 1 -7  18 35 o 88.08431 3.390878 383.3329       29.18133 399.6000       44.59911 371.1554       38.58777 89.40645 5.117633 86.33656 4.582548 3.069885       6.869492 
1 1 1 -7  18 36 o 107.6000 3.197538 571.4911       33.63969 607.9207       48.20273 536.9029       46.96868 110.5377 4.464260 103.8036 4.634319 6.734024       6.434791 
1 1 1 -7  18 37 o 43.94648 3.934721 96.41783       16.74669 97.80158       21.67273 94.36729       26.38266 43.96587 5.132505 42.76128 6.508234 1.204594       8.288529 
1 1 1 -7  18 38 o 94.91099 3.842919 447.2316       35.62747 448.6382       41.80631 443.5000       68.09386 94.80375 4.518162 92.64719 7.574849 2.156563       8.819984 
1 1 1 -7  18 39 o 19.64466 6.517750 18.88468       14.62003 35.72976       18.24774 -11.31260      24.43186 25.97577 7.013913 16.02571 7.254276 9.950058       10.09056 
1 1 1 -7  18 40 o 37.76864 6.665552 74.96597       23.74133 58.08000       56.29648 78.61874       26.18357 33.68822 12.63115 38.49021 7.214812 -4.801991      14.54646 
1 1 1 -7  18 41 o 41.29326 4.199707 86.03145       16.73885 103.9380       22.38759 63.33064       25.20706 45.10344 5.163965 34.17236 7.718861 10.93107       9.286945 
1 1 1 -7  18 42 o 51.11689 4.403420 132.1047       21.81779 134.5526       24.57633 123.0000       47.39771 51.37967 4.947857 45.95663 10.73209 5.423035       11.81774 
1 1 1 -7  18 43 o 43.01189 3.917177 93.22732       16.31104 89.95153       17.48468 115.2000       45.28363 42.11939 4.301330 44.38100 10.57506 -2.261612      11.41636 
1 1 1 -7  18 44 o 28.74951 5.449332 43.48101       14.77377 41.08646       15.76592 60.73000       42.31456 27.75742 5.979472 32.41902 11.08934 -4.661598      12.59871 
1 1 1 -7  18 45 o 30.37837 5.759103 48.86558       16.49826 48.86558       16.49826 0.000000       0.000000 30.37837 5.759103 ?        ?        ?              ?        
1 1 1 -7  18 46 o 11.61019 5.313380 -8.059574      13.56647 -8.980051      14.27661 0.5085000      43.55723 11.80610 5.420737 22.49378 9.968566 -10.68768      11.34710 
1 1 1 -7  18 47 o 48.47777 3.981769 118.9644       18.72766 115.7696       20.35342 136.6000       47.82002 47.63861 4.415110 47.73601 10.51850 -0.9740067E-01 11.40755 
1 1 1 -7  18 48 o 13.04966 5.810865 -3.971972      14.97911 -3.971972      14.97911 0.000000       0.000000 13.04966 5.810865 ?        ?        ?              ?        
1 1 1 -7  18 49 o 12.94031 5.739221 -3.171457      14.46558 3.311314       15.48613 -47.55000      40.51811 14.82556 6.249191 16.90419 8.157026 -2.078630      10.27567 
1 1 1 -7  18 50 o 20.40073 6.568282 22.13287       14.89996 25.05380       15.99649 2.992000       40.94916 21.53117 6.791677 21.79176 9.661063 -0.2605934     11.80945 
1 1 1 -7  18 51 o 17.76689 6.489986 14.67292       14.69003 16.13912       15.75075 4.874000       40.71880 18.46987 6.724274 21.98469 9.695346 -3.514820      11.79897 
1 1 1 -7  18 52 o 26.39733 6.236434 38.25243       15.85608 40.87436       17.08873 22.02000       42.51975 27.19486 6.506944 24.53468 10.34905 2.660175       12.22469 
1 1 1 -7  18 53 o 56.94899 3.603702 163.8409       19.98518 160.7649       21.99532 178.4000       47.85217 56.19414 4.025497 55.12133 9.192575 1.072803       10.03534 
1 1 1 -7  18 54 o 13.05879 5.813955 -3.514278      14.98857 -9.264923      16.04428 35.92000       42.01446 12.49032 5.739176 26.51632 10.63382 -14.02600      12.08372 
1 1 1 -7  18 55 o 53.58567 4.228788 147.1239       22.00081 147.1239       22.00081 0.000000       0.000000 53.58567 4.228788 ?        ?        ?              ?        
1 1 1 -7  18 56 o 21.44295 7.058645 25.08907       17.15786 23.89886       18.74700 31.23000       42.58313 21.19097 7.375311 25.53716 10.53054 -4.346193      12.85642 
1 1 1 -7  18 57 o 26.97708 6.150081 40.39477       15.87784 41.66824       17.08550 32.33000       42.99619 27.24361 6.498388 25.50735 10.55593 1.736256       12.39584 
1 1 1 -7  18 58 o 22.91471 6.583451 29.63562       15.54625 26.10857       16.68599 52.84000       42.79874 21.61892 6.949903 28.68541 10.95436 -7.066484      12.97301 
1 1 1 -7  19 1  o 239.8553 5.598778 2823.306       131.4464 0.000000       0.000000 2823.306       131.4464 ?        ?        239.8553 5.598778 ?              ?        
1 1 1 -7  19 2  o 120.3678 4.878909 711.7183       57.36387 752.4000       83.77130 675.8000       78.71419 123.5356 6.955925 117.0648 6.900024 6.470749       9.797715 
1 1 1 -7  19 3  o 134.1035 3.369224 881.5861       44.19083 976.4000       96.26120 856.2687       49.74210 140.7689 7.008194 132.1294 3.850187 8.639511       7.996170 
1 1 1 -7  19 4  o 196.5851 4.170693 1894.321       80.25368 1878.000       162.0997 1899.621       92.36847 195.0750 8.509826 196.8106 4.794785 -1.735596      9.767655 
1 1 1 -7  19 5  o 229.1263 5.425318 2576.277       121.6764 2400.000       202.7275 2675.534       152.1235 220.3577 9.420667 233.2443 6.669992 -12.88661      11.54287 
1 1 1 -7  19 6  o 116.0284 3.828062 660.4907       43.41648 647.9000       77.25053 666.3038       52.49099 114.5970 6.919105 116.4744 4.613259 -1.877426      8.316019 
1 1 1 -7  19 7  o 154.8709 3.590185 1175.295       54.42431 1070.000       108.2074 1210.951       62.96865 147.2760 7.531183 157.1205 4.097852 -9.844406      8.573862 
1 1 1 -7  19 8  o 151.8781 3.532741 1130.292       52.51861 1166.000       110.9793 1119.987       59.61659 153.7707 7.394984 151.1030 4.034378 2.667725       8.423895 
1 1 1 -7  19 9  o 114.8591 3.663539 647.1820       41.13549 633.8000       78.35808 652.2730       48.33090 113.2959 7.101549 115.2604 4.291386 -1.964447      8.297469 
1 1 1 -7  19 10 o 184.7317 4.596286 1673.770       83.11026 1687.000       148.9148 1667.785       100.1607 184.8382 8.251562 184.2261 5.560799 0.6120758      9.950416 
1 1 1 -7  19 11 o 16.17500 6.111435 9.203511       13.23477 -23.76000      45.14357 12.30310       13.84303 21.93154 9.900577 17.43088 6.309965 4.500656       11.74040 
1 1 1 -7  19 12 o 148.7970 4.056233 1086.309       59.02253 1041.000       105.0912 1107.186       71.33601 145.2283 7.417366 150.1396 4.860490 -4.911270      8.868014 
1 1 1 -7  19 13 o 94.23431 3.528494 435.8124       32.48905 438.5469       44.20479 432.6000       47.91166 94.41925 4.798761 93.72868 5.243207 0.6905746      7.107695 
1 1 1 -7  19 14 o 229.4490 5.390244 2585.160       121.0600 2576.844       149.4957 2601.000       206.3332 228.7805 6.682964 229.2438 9.214060 -0.4632874     11.38248 
1 1 1 -7  19 15 o 94.27896 3.154583 436.0108       29.07040 421.0071       43.60436 448.0149       39.00292 92.49647 4.832899 95.48800 4.183090 -2.991531      6.391803 
1 1 1 -7  19 16 o 101.4004 3.176253 504.3348       31.48655 515.4598       47.42878 495.5680       42.10289 102.3755 4.745948 100.4218 4.293201 1.953766       6.399656 
1 1 1 -7  19 17 o 169.6725 4.339017 1413.312       72.00336 1444.000       126.0794 1398.459       87.71444 170.9762 7.552228 168.6473 5.320214 2.328918       9.238010 
1 1 1 -7  19 18 o 158.8470 3.674797 1237.205       57.13716 1235.025       82.24676 1239.239       79.43488 158.4591 5.310180 158.7575 5.118454 -0.2983704     7.375403 
1 1 1 -7  19 19 o 101.2862 3.191657 503.3228       31.60314 458.9356       45.16087 545.9194       44.24053 96.55781 4.793232 105.3872 4.297721 -8.829407      6.437817 
1 1 1 -7  19 20 o 111.8457 3.235856 613.7278       35.38814 596.3789       50.67089 630.2471       49.44443 110.1003 4.712697 113.2179 4.470443 -3.117592      6.495719 
1 1 1 -7  19 21 o 166.5256 4.323909 1362.385       70.42005 1348.211       87.17768 1389.000       119.4594 165.4817 5.389256 167.5576 7.301194 -2.075897      9.074774 
1 1 1 -7  19 22 o 95.64059 3.834098 449.5951       35.82041 391.0000       71.00970 469.5946       41.48549 88.45165 8.298653 97.68908 4.349450 -9.237427      9.369384 
1 1 1 -7  19 23 o 172.3193 4.506654 1460.217       75.94889 1390.000       134.7766 1492.890       91.93619 167.1812 8.261677 174.0574 5.402740 -6.876236      9.871418 
1 1 1 -7  19 24 o 200.3939 4.248919 1973.416       83.34299 1963.084       118.2918 1983.600       117.4424 199.3566 6.069094 200.4193 5.993321 -1.062729      8.529583 
1 1 1 -7  19 25 o 98.20763 3.835977 474.5226       36.80369 438.8000       72.00411 487.1560       42.81980 93.61642 7.932368 99.42484 4.410887 -5.808426      9.076254 
1 1 1 -7  19 26 o 43.88447 3.955505 95.43564       16.80883 103.7062       22.84463 85.67242       24.82068 45.56396 5.216104 41.13361 6.370474 4.430355       8.233510 
1 1 1 -7  19 27 o 106.2526 3.173581 554.8525       32.96919 546.8469       46.67019 562.8275       46.58090 105.2519 4.540737 106.7963 4.465859 -1.544403      6.368845 
1 1 1 -7  19 28 o 97.63664 3.126958 468.7418       29.84563 469.2213       42.04452 468.2548       42.37358 97.46066 4.418807 97.35189 4.458607 0.1087723      6.277342 
1 1 1 -7  19 29 o 78.64133 3.055247 304.3227       23.47342 279.8124       31.88985 333.3063       34.67801 75.18968 4.351585 82.08833 4.331177 -6.898651      6.139657 
1 1 1 -7  19 30 o 99.72389 3.105799 489.3861       30.27953 534.7219       44.01016 448.6367       41.72463 103.9811 4.333567 95.19104 4.490724 8.790024       6.240705 
1 1 1 -7  19 31 o 40.44072 4.052351 81.52284       15.82514 87.72565       19.55748 69.76000       26.93239 41.80424 4.870674 36.52601 7.771939 5.278225       9.172050 
1 1 1 -7  19 32 o 64.51138 3.066725 205.2771       19.30955 218.2350       26.73577 191.1475       27.91826 66.31332 4.139588 61.93204 4.639104 4.381271       6.217514 
1 1 1 -7  19 33 o 69.42261 4.040562 239.1307       27.33807 211.0000       31.29291 329.8000       56.18056 64.96822 4.958290 80.46448 7.209376 -15.49625      8.749843 
1 1 1 -7  19 34 o 42.09426 3.838230 88.31741       15.64089 102.8000       21.10166 70.65923       23.30056 45.21552 4.843224 36.90036 6.697632 8.315155       8.265294 
1 1 1 -7  19 35 o 18.74223 6.008924 17.33217       12.47945 36.59846       14.94769 -26.99000      22.67178 26.50083 5.912766 13.38425 6.361257 13.11658       8.684837 
1 1 1 -7  19 36 o 62.63938 3.182789 194.0656       19.45072 207.0243       26.57899 179.1234       28.54060 64.44675 4.236887 59.73277 4.925119 4.713974       6.496769 
1 1 1 -7  19 37 o 36.98861 4.077228 68.70919       14.51718 85.01204       18.78161 44.51344       22.88077 41.01565 4.766883 28.90002 7.875363 12.11562       9.205678 
1 1 1 -7  19 38 o 17.22555 6.236499 12.78056       13.52316 11.13645       14.16092 29.81000       45.57493 16.87082 6.333048 28.06864 11.13503 -11.19782      12.81001 
1 1 1 -7  19 39 o 26.87711 9.953094 33.65091       34.74449 80.79000       54.67161 1.714000       45.00054 37.60444 12.60681 23.72139 10.33344 13.88305       16.30066 
1 1 1 -7  19 40 o 52.82600 3.315762 138.8726       17.05852 156.3929       18.27928 20.69000       47.47495 56.06283 3.346251 26.58234 11.05439 29.48049       11.54976 
1 1 1 -7  19 41 o 46.13997 3.416110 106.3600       15.31877 105.0678       16.18282 117.5000       47.51627 45.79441 3.640170 44.79116 10.93477 1.003242       11.52475 
1 1 1 -7  19 42 o 90.40092 2.989249 405.4457       26.41456 402.3838       29.15028 419.5000       62.45263 89.91796 3.317686 89.12507 7.220659 0.7928925      7.946380 
1 1 1 -7  19 43 o 33.32856 4.065982 56.48052       12.99016 57.11694       13.62946 50.17000       42.91816 33.45918 4.257884 30.31792 11.09019 3.141262       11.87948 
1 1 1 -7  19 44 o 30.30033 4.538326 47.30808       13.04640 47.30808       13.04640 0.000000       0.000000 30.30033 4.538326 ?        ?        ?              ?        
1 1 1 -7  19 45 o 60.24169 3.031507 180.7341       17.81821 175.7830       18.97703 217.6000       51.78316 59.32105 3.281014 62.52649 8.695939 -3.205444      9.294321 
1 1 1 -7  19 46 o 28.44816 4.725998 42.10678       12.69838 39.23406       13.23935 75.12000       44.88115 27.29839 5.143393 34.91449 11.41195 -7.616096      12.51747 
1 1 1 -7  19 47 o 56.34558 9.859239 185.5000       52.39673 0.000000       0.000000 185.5000       52.39673 ?        ?        56.34558 9.859239 ?              ?        
1 1 1 -7  19 48 o 56.76691 6.725882 173.4381       36.64709 174.6000       54.82972 172.5000       49.26876 53.34190 10.87057 54.19448 9.641123 -0.8525810     14.52999 
1 1 1 -7  19 49 o 43.61512 8.502805 109.2513       34.99520 144.1000       56.03640 86.97000       44.80716 46.74917 12.13960 36.73339 11.33342 10.01578       16.60771 
1 1 1 -7  19 50 o 19.09965 8.448396 -0.2283008     31.14138 18.10000       49.34486 -12.36000      40.14594 25.07938 10.87374 19.84494 9.103720 5.234444       14.18154 
1 1 1 -7  19 51 o 31.57510 9.652054 60.63027       32.59238 32.19000       47.84216 85.26000       44.52191 26.62956 11.08742 36.15262 11.32042 -9.523060      15.84559 
1 1 1 -7  19 52 o 64.03458 6.033426 218.2529       37.37108 219.1000       54.48063 217.5000       51.35880 60.85278 9.453176 61.29913 8.812595 -0.4463539     12.92379 
1 1 1 -7  19 53 o 39.19897 8.842825 90.71158       33.11888 64.75000       48.27230 113.8000       45.52286 31.76188 11.73726 42.14597 10.94038 -10.38408      16.04541 
1 1 1 -7  19 54 o 26.67371 10.99387 35.15000       46.38285 35.15000       46.38285 0.000000       0.000000 26.67371 10.99387 ?        ?        ?              ?        
1 1 1 -7  19 55 o 23.74991 10.18586 18.57000       42.39218 0.000000       0.000000 18.57000       42.39218 ?        ?        23.74991 10.18586 ?              ?        
1 1 1 -7  19 56 o 17.26040 7.876726 -8.636674      29.53748 9.101000       42.08922 -25.85000      41.46245 22.27232 9.838155 18.50974 8.739490 3.762575       13.15933 
1 1 1 -7  19 57 o 40.59757 8.521643 98.76257       32.78251 63.65000       46.25510 134.2000       46.46857 30.56738 11.45180 45.18415 10.67715 -14.61677      15.65711 
1 1 1 -7  20 1  o 163.7343 4.404414 1315.523       70.52441 1268.000       122.0733 1339.331       86.40224 160.2939 7.803769 165.1074 5.353364 -4.813492      9.463472 
1 1 1 -7  20 2  o 213.5494 4.457052 2236.286       93.16492 2014.000       178.3748 2319.672       109.2507 201.8420 9.051535 217.4247 5.133448 -15.58269      10.40589 
1 1 1 -7  20 3  o 250.9799 5.819053 3093.299       142.9544 0.000000       0.000000 3093.299       142.9544 ?        ?        250.9799 5.819053 ?              ?        
1 1 1 -7  20 4  o 152.6349 4.171300 1143.064       62.26216 1231.000       115.0114 1106.609       74.05168 157.9784 7.458738 150.0916 5.047667 7.886749       9.006204 
1 1 1 -7  20 5  o 188.8627 5.840080 1753.451       107.8323 1646.000       148.8860 1872.000       156.3862 182.5520 8.354376 194.7324 8.223042 -12.18036      11.72237 
1 1 1 -7  20 6  o 156.5990 4.279260 1203.368       65.53246 1226.000       116.6979 1192.943       79.19920 157.6253 7.585909 155.8209 5.199934 1.804382       9.197028 
1 1 1 -7  20 7  o 172.7811 4.498910 1465.160       76.02214 1430.000       132.0974 1482.572       92.95920 170.1872 7.951762 173.6891 5.474650 -3.501862      9.654135 
1 1 1 -7  20 8  o 177.9333 3.905462 1552.032       68.01990 1501.000       137.7340 1568.492       78.22449 174.3317 8.093674 178.8293 4.468872 -4.497589      9.245451 
1 1 1 -7  20 9  o 154.0066 3.587423 1162.423       54.07893 1230.000       116.2593 1143.764       61.09041 157.8646 7.545638 152.6789 4.091471 5.185745       8.583518 
1 1 1 -7  20 10 o 41.33731 4.576213 84.84383       18.20660 18.83000       47.48653 96.22018       19.71307 28.14441 11.29879 44.04481 4.642231 -15.90040      12.21527 
1 1 1 -7  20 11 o 276.5402 6.296334 3759.712       170.4324 3669.000       293.3943 3805.911       209.3827 271.6964 11.05527 277.8177 7.707159 -6.121368      13.47662 
1 1 1 -7  20 12 o 175.3869 5.440309 1512.115       93.28276 1465.000       135.1364 1555.000       128.9261 172.1802 8.040515 177.5228 7.436070 -5.342606      10.95194 
1 1 1 -7  20 13 o 129.7958 3.808739 826.6584       48.33681 786.1000       89.23804 843.4993       57.50297 126.1324 7.258639 131.0466 4.489522 -4.914200      8.534850 
1 1 1 -7  20 14 o 155.6491 3.609480 1187.623       54.99175 1233.000       117.2306 1174.822       62.26772 157.9735 7.603746 154.7157 4.115363 3.257782       8.645991 
1 1 1 -7  20 15 o 54.67994 3.905935 147.3659       20.76776 0.000000       0.000000 147.3659       20.76776 ?        ?        54.67994 3.905935 ?              ?        
1 1 1 -7  20 16 o 208.6118 5.009274 2137.295       102.2869 0.000000       0.000000 2137.295       102.2869 ?        ?        208.6118 5.009274 ?              ?        
1 1 1 -7  20 17 o 96.40645 3.758631 456.4944       35.40047 386.3000       69.05997 481.5129       41.22927 88.06251 8.102549 98.96737 4.266076 -10.90486      9.157002 
1 1 1 -7  20 18 o 155.9289 5.381680 1196.610       82.01611 1194.000       118.6330 1199.000       113.5130 155.2777 7.830584 155.6848 7.470716 -0.4070892     10.82265 
1 1 1 -7  20 19 o 234.7549 5.546264 2710.958       127.4446 2780.000       228.4819 2679.776       153.5508 236.2158 9.903784 233.0234 6.739115 3.192413       11.97917 
1 1 1 -7  20 20 o 118.4195 4.369215 689.5832       50.55773 688.2000       72.39507 690.9000       70.63622 118.0014 6.290540 118.2635 6.122821 -0.2621918     8.778373 
1 1 1 -7  20 21 o 188.0541 5.962345 1744.466       109.6117 1640.000       152.5386 1856.000       157.6147 181.5561 8.607981 193.2574 8.351810 -11.70129      11.99375 
1 1 1 -7  20 22 o 99.19003 3.783520 483.6929       36.66682 507.6000       75.17822 476.2307       42.00126 100.9264 7.667308 98.34616 4.374080 2.580246       8.827241 
1 1 1 -7  20 23 o 164.3666 4.394730 1329.321       70.64188 1129.000       119.9666 1435.648       87.40156 150.4619 8.176407 170.6283 5.239341 -20.16644      9.711041 
1 1 1 -7  20 24 o 117.9817 3.225286 683.6626       37.21186 616.9227       51.63676 755.7708       53.67333 111.8392 4.727584 123.8616 4.434216 -12.02238      6.481691 
1 1 1 -7  20 25 o 165.8131 5.612691 1359.968       90.96403 1241.000       126.1094 1489.000       131.3348 157.4339 8.211962 172.6755 7.790454 -15.24162      11.31934 
1 1 1 -7  20 26 o 111.5798 3.158353 611.8922       34.46000 619.7754       49.49289 604.4747       48.00860 112.0512 4.521819 110.6740 4.440683 1.377121       6.337706 
1 1 1 -7  20 27 o 111.7646 3.163912 614.2040       34.57783 537.0419       46.90306 706.0685       51.17683 104.2247 4.608927 119.5889 4.379355 -15.36427      6.357748 
1 1 1 -7  20 28 o 119.4063 3.204808 701.4169       37.42335 750.9051       55.04864 658.8923       51.02888 123.2248 4.571893 115.4300 4.525155 7.794777       6.432669 
1 1 1 -7  20 29 o 32.75712 4.127635 53.75942       12.94146 51.57203       17.44066 56.43945       19.30497 31.72591 5.831011 33.14936 6.176802 -1.423454      8.494326 
1 1 1 -7  20 30 o 185.9385 4.628264 1711.675       84.23521 1836.542       108.8200 1525.000       133.0542 191.8924 5.800207 173.4874 7.855660 18.40508       9.764927 
1 1 1 -7  20 31 o 51.85867 7.344573 138.2980       36.23960 98.39000       54.04556 170.9000       48.84866 42.34004 12.30849 57.10678 9.039557 -14.76674      15.27129 
1 1 1 -7  20 32 o 76.57570 7.651801 300.5000       56.58640 0.000000       0.000000 300.5000       56.58640 ?        ?        76.57570 7.651801 ?              ?        
1 1 1 -7  20 33 o 135.0922 7.413709 930.3000       97.65715 0.000000       0.000000 930.3000       97.65715 ?        ?        135.0922 7.413709 ?              ?        
1 1 1 -7  20 34 o 77.78300 5.686596 304.8567       42.99640 220.4000       62.10493 382.6000       59.58547 63.98861 10.26234 86.52055 7.098176 -22.53194      12.47797 
1 1 1 -7  20 35 o 81.28882 5.560283 332.8163       43.97551 299.7000       64.36950 361.8000       60.21927 75.49007 8.881035 83.87319 7.411283 -8.383125      11.56719 
1 1 1 -7  20 36 o 25.59167 9.732926 27.19138       33.69894 -16.10000      52.30211 57.92000       44.06462 23.65721 10.67024 33.16670 11.31704 -9.509487      15.55407 
1 1 1 -7  20 37 o 17.85796 8.227139 -21.17819      33.27400 -72.52000      52.09074 14.21000       43.24681 19.00205 9.188780 25.20640 10.52179 -6.204350      13.96931 
1 1 1 -7  20 38 o 25.30025 9.643613 27.28702       33.12966 10.68000       52.11452 38.55000       42.91802 26.33916 11.29494 28.96769 10.99159 -2.628536      15.76042 
1 1 1 -7  20 39 o 35.59335 9.735402 71.26647       34.89000 61.02000       53.95575 78.63000       45.73970 33.72522 12.41844 36.88487 11.46265 -3.159657      16.90000 
1 1 1 -7  20 40 o 41.19859 9.048924 94.78800       35.49081 122.9000       55.72262 75.60000       46.03632 44.96537 12.30502 35.92599 11.54341 9.039383       16.87198 
1 1 1 -7  20 41 o 38.14156 9.424316 82.78936       34.97806 93.09000       56.20959 76.28000       44.68353 38.86032 12.77520 35.90836 11.35427 2.951962       17.09167 
1 1 1 -7  20 42 o 20.86856 8.866940 7.527592       31.59360 4.445000       49.37312 9.665000       41.11274 24.35363 10.71045 23.36308 10.02566 0.9905415      14.67064 
1 1 1 -7  20 43 o 56.96011 10.21182 187.9000       54.84358 187.9000       54.84358 0.000000       0.000000 56.96011 10.21182 ?        ?        ?              ?        
1 1 1 -7  20 44 o 47.45601 7.860850 123.5733       35.23745 126.5000       52.06697 121.1000       47.86441 45.20430 11.68322 44.74304 11.00613 0.4612579      16.05094 
1 1 1 -7  20 45 o 29.49606 11.07939 47.82000       43.35558 0.000000       0.000000 47.82000       43.35558 ?        ?        29.49606 11.07939 ?              ?        
1 1 1 -7  20 46 o 52.39274 7.130715 148.7185       35.62060 144.7000       52.69444 152.1000       48.33738 48.27479 11.34483 50.68316 10.09822 -2.408371      15.18813 
1 1 1 -7  20 47 o 36.13828 9.364280 77.37298       33.39096 92.23000       50.54713 65.87000       44.47702 37.54162 12.09881 32.61888 11.35965 4.922745       16.59587 
1 1 1 -7  20 48 o 46.59391 10.85468 135.4000       48.58218 0.000000       0.000000 135.4000       48.58218 ?        ?        46.59391 10.85468 ?              ?        
1 1 1 -7  20 49 o 33.18987 9.578610 66.77960       32.83984 47.13000       49.88333 81.81000       43.62785 29.08710 11.61320 35.59809 11.21454 -6.510986      16.14411 
1 1 1 -7  20 50 o 28.85254 9.723022 49.52656       32.51772 69.58000       49.85628 34.68000       42.89812 32.76303 11.95799 26.51371 10.70564 6.249321       16.05006 
1 1 1 -7  20 51 o 47.57405 7.531409 126.4799       33.90488 91.31000       49.31725 158.0000       46.68819 36.79851 11.95823 51.36898 9.639345 -14.57047      15.35956 
1 1 1 -7  20 52 o 28.67182 9.660868 49.21957       32.10333 86.74000       47.37881 17.37000       43.65179 36.00106 11.72243 23.94225 10.30318 12.05881       15.60675 
1 1 1 -7  20 53 o 25.69527 10.88764 27.33000       47.41129 27.33000       47.41129 0.000000       0.000000 25.69527 10.88764 ?        ?        ?              ?        
1 1 1 -7  20 54 o 38.81806 11.22378 99.57000       45.05048 0.000000       0.000000 99.57000       45.05048 ?        ?        38.81806 11.22378 ?              ?        
1 1 1 -7  20 55 o 16.96370 7.793998 -11.32491      29.58128 -34.36000      42.16563 11.00000       41.51055 18.00246 8.589542 22.46336 9.851745 -4.460901      13.07047 
1 1 1 -7  20 56 o 24.45783 9.287979 33.18530       30.66040 -6.988000      43.06240 74.49000       43.66457 20.50860 9.415721 32.94374 11.26495 -12.43514      14.68179 
1 1 1 -7  20 57 o 24.16164 9.218946 32.74065       30.29568 2.545000       42.57274 63.72000       43.12166 21.26099 9.604643 30.51725 11.12371 -9.256252      14.69646 
1 1 1 -7  21 1  o 218.0702 5.281692 2334.495       112.7394 2219.000       190.8945 2396.354       139.7061 211.7508 9.232239 220.6782 6.474697 -8.927368      11.27634 
1 1 1 -7  21 2  o 246.7915 5.797680 2991.820       140.0524 3004.000       243.3854 2985.790       171.2451 246.1680 10.12242 246.2134 7.113049 -0.4542542E-01 12.37169 
1 1 1 -7  21 3  o 165.0482 4.444513 1337.073       71.73741 1334.000       126.0669 1338.545       87.23907 164.3546 7.859111 165.0246 5.408079 -0.6700592     9.540071 
1 1 1 -7  21 4  o 205.0228 6.186260 2067.827       124.0051 0.000000       0.000000 2067.827       124.0051 ?        ?        205.0228 6.186260 ?              ?        
1 1 1 -7  21 5  o 322.5119 7.247391 5120.662       228.7883 5834.000       434.3784 4846.795       269.1469 341.7887 13.00761 313.2172 8.787535 28.57153       15.69773 
1 1 1 -7  21 6  o 168.9997 5.511192 1404.113       91.04510 1331.000       127.5747 1480.000       129.9732 164.1315 7.964617 173.1491 7.687968 -9.017593      11.06978 
1 1 1 -7  21 7  o 183.2087 4.685138 1647.963       83.94952 1728.000       151.2884 1612.354       100.9107 186.9854 8.286512 181.0790 5.700387 5.906448       10.05787 
1 1 1 -7  21 8  o 218.0538 5.259878 2334.577       112.2653 2385.000       198.7167 2310.938       136.0586 219.4611 9.271506 216.6818 6.422099 2.779282       11.27848 
1 1 1 -7  21 9  o 92.08059 3.198879 415.9711       28.78804 399.6000       64.82875 419.9922       32.12966 89.76180 7.445459 92.49898 3.555268 -2.737175      8.250745 
1 1 1 -7  21 10 o 113.5761 3.241332 632.6422       35.99749 673.9000       80.38482 622.2930       40.25995 116.7791 7.065438 112.6102 3.657343 4.168900       7.955914 
1 1 1 -7  21 11 o 172.2465 5.415416 1458.820       91.19028 1343.000       129.1418 1574.000       128.7840 164.7946 8.030213 178.5732 7.383757 -13.77855      10.90890 
1 1 1 -7  21 12 o 202.4518 4.930550 2012.305       97.70644 2074.000       176.1847 1984.904       117.4161 204.6390 8.816445 200.8318 5.979612 3.807236       10.65296 
1 1 1 -7  21 13 f 145.3733 4.051855 1037.407       57.59981 1025.000       106.4889 1042.538       68.48258 143.9615 7.583789 145.6435 4.810375 -1.682053      8.980733 
1 1 1 -7  21 14 o 96.00886 3.539069 452.5475       33.20188 0.000000       0.000000 452.5475       33.20188 ?        ?        96.00886 3.539069 ?              ?        
1 1 1 -7  21 15 o 45.23490 4.487975 101.4199       19.60973 0.000000       0.000000 101.4199       19.60973 ?        ?        45.23490 4.487975 ?              ?        
1 1 1 -7  21 16 o 168.6416 3.797591 1394.999       62.68726 1318.000       128.2290 1419.181       71.85966 163.0942 8.057272 169.9867 4.322315 -6.892532      9.143414 
1 1 1 -7  21 17 o 264.6825 5.276637 3444.669       136.7064 3740.000       292.4256 3362.074       154.6456 273.5017 10.94529 261.3003 6.046324 12.20142       12.50430 
1 1 1 -7  21 18 o 132.6709 3.396753 863.7809       44.07460 903.6000       97.83112 853.6409       49.36850 135.0160 7.431283 131.8409 3.829606 3.175064       8.360014 
1 1 1 -7  21 19 o 85.42351 3.252448 358.3767       27.14563 319.5000       66.86589 366.0485       29.70353 79.76561 8.705251 86.30859 3.523399 -6.542976      9.391258 
1 1 1 -7  21 20 o 109.4352 3.275969 587.9697       35.05207 607.4000       82.42441 583.6800       38.72858 110.4663 7.670533 108.9953 3.635179 1.471085       8.488321 
1 1 1 -7  21 21 o 172.3489 3.865229 1458.813       65.20635 1496.000       139.7134 1448.457       73.72884 173.2776 8.261181 171.5940 4.393255 1.683578       9.356698 
1 1 1 -7  21 22 o 107.7944 3.190264 570.6765       33.62411 585.4000       78.87724 567.4069       37.17058 108.3367 7.484236 107.4415 3.539274 0.8951569      8.278904 
1 1 1 -7  21 23 o 115.1362 3.197028 651.1786       35.99514 683.6000       84.45985 643.9830       39.78954 117.0456 7.410105 114.4478 3.556171 2.597778       8.219246 
1 1 1 -7  21 24 o 139.9360 5.219452 968.1356       71.36723 1012.000       105.8689 931.6000       96.62085 142.2696 7.630308 136.6265 7.250826 5.643036       10.52597 
1 1 1 -7  21 25 o 138.1409 5.219094 944.5208       70.44365 861.0000       98.48891 1032.000       100.7959 131.0105 7.714385 143.6944 7.189166 -12.68381      10.54494 
1 1 1 -7  21 26 o 131.9931 5.134531 863.0461       66.21083 852.2000       95.96412 872.9000       91.46996 130.2510 7.559476 132.0252 7.104245 -1.774170      10.37381 
1 1 1 -7  21 27 o 129.8491 5.141763 836.3353       65.22254 808.8000       93.81006 862.1000       90.74357 126.6954 7.599466 131.0530 7.100478 -4.357628      10.40042 
1 1 1 -7  21 28 o 80.11860 8.336919 328.1000       64.42494 328.1000       64.42494 0.000000       0.000000 80.11860 8.336919 ?        ?        ?              ?        
1 1 1 -7  21 29 o 84.82657 8.079697 367.9000       66.27688 367.9000       66.27688 0.000000       0.000000 84.82657 8.079697 ?        ?        ?              ?        
1 1 1 -7  21 30 o 31.61112 9.612029 52.33901       32.37929 81.91000       50.39568 31.55000       42.25491 38.94461 12.02009 28.32699 10.86778 10.61762       16.20467 
1 1 1 -7  21 31 o 132.4669 7.287727 891.4000       94.13026 0.000000       0.000000 891.4000       94.13026 ?        ?        132.4669 7.287727 ?              ?        
1 1 1 -7  21 32 o 113.8218 7.125820 659.4000       78.99178 0.000000       0.000000 659.4000       78.99178 ?        ?        113.8218 7.125820 ?              ?        
1 1 1 -7  21 33 o 32.40399 9.773426 56.13116       33.57071 41.95000       51.37294 66.70000       44.34985 31.24357 11.98403 35.22832 11.33102 -3.984753      16.49269 
1 1 1 -7  21 34 o 23.29004 9.306541 16.95143       32.06250 14.67000       49.50389 18.60000       42.08144 26.75665 11.21921 25.80547 10.53531 0.9511833      15.39037 
1 1 1 -7  21 35 o 22.67809 9.228657 13.91835       32.16485 -14.92000      49.17629 35.48000       42.52180 23.02452 10.36907 28.64411 10.92365 -5.619591      15.06133 
1 1 1 -7  21 36 o 21.96727 9.130477 9.931805       32.36397 -12.71000      48.70786 27.83000       43.30601 23.07300 10.36118 27.34994 10.85290 -4.276932      15.00465 
1 1 1 -7  21 37 o 65.98400 6.075202 223.0002       38.79770 201.0000       58.38241 240.4000       51.92072 60.24898 10.26761 67.46113 8.019636 -7.212151      13.02837 
1 1 1 -7  21 38 o 54.00566 7.241963 153.6495       37.31860 108.1000       57.20339 187.4000       49.24024 42.37310 12.75291 58.77918 8.831125 -16.40608      15.51211 
1 1 1 -7  21 39 o 32.74302 9.808450 60.61545       33.89688 95.77000       53.17370 36.55000       43.99498 39.78012 12.35856 28.31430 11.02793 11.46582       16.56349 
1 1 1 -7  21 40 o 53.66079 7.215716 153.3156       36.94062 172.4000       58.28130 140.5000       47.75962 53.95295 11.39383 49.43262 10.20874 4.520336       15.29829 
1 1 1 -7  21 41 o 51.62346 7.222763 142.6336       35.49951 117.3000       54.01195 161.9000       47.10219 43.45758 12.20032 53.63860 9.308754 -10.18103      15.34603 
1 1 1 -7  21 42 o 24.89575 10.74550 12.30000       47.75513 12.30000       47.75513 0.000000       0.000000 24.89575 10.74550 ?        ?        ?              ?        
1 1 1 -7  21 43 o 14.41113 6.983671 -43.80644      30.49995 -23.92000      45.24504 -60.37000      41.29233 20.34122 9.448731 16.44253 8.004258 3.898684       12.38332 
1 1 1 -7  21 44 o 26.20487 10.66807 28.83000       43.00116 0.000000       0.000000 28.83000       43.00116 ?        ?        26.20487 10.66807 ?              ?        
1 1 1 -7  21 45 o 50.00857 7.293927 136.2564       34.65281 133.1000       51.32802 138.9000       46.97387 46.14475 11.42499 48.22357 10.26669 -2.078819      15.36019 
1 1 1 -7  21 46 o 21.96410 8.971637 17.28627       30.53597 4.112000       46.34934 27.39000       40.59021 23.16175 10.27287 25.38595 10.35342 -2.224199      14.58510 
1 1 1 -7  21 47 o 40.64161 8.622409 95.63190       33.23721 125.5000       50.82210 73.31000       43.93538 43.99887 11.62739 33.88878 11.30031 10.11009       16.21399 
1 1 1 -7  21 48 o 59.14546 6.512044 188.3701       37.07719 166.1000       55.18099 206.7000       50.06208 51.06533 11.33547 59.87067 8.805369 -8.805340      14.35365 
1 1 1 -7  21 49 o 25.05308 10.59842 23.22000       44.80553 0.000000       0.000000 23.22000       44.80553 ?        ?        25.05308 10.59842 ?              ?        
1 1 1 -7  21 50 o 26.93768 9.558970 41.76567       31.59814 54.50000       46.86311 31.15000       42.78751 29.98793 11.46001 25.86042 10.59816 4.127506       15.60938 
1 1 1 -7  21 51 o 27.30423 9.594196 43.52391       31.76995 45.20000       45.80415 41.97000       44.10310 28.30511 11.18382 27.66024 10.95991 0.6448650      15.65878 
1 1 1 -7  21 52 o 28.47742 11.26042 46.35000       46.46587 46.35000       46.46587 0.000000       0.000000 28.47742 11.26042 ?        ?        ?              ?        
1 1 1 -7  21 53 o 22.56734 9.858135 11.17000       41.20153 0.000000       0.000000 11.17000       41.20153 ?        ?        22.56734 9.858135 ?              ?        
1 1 1 -7  21 54 o 18.80589 8.262454 2.657562       29.31632 0.2715000      42.56967 4.810000       40.43196 21.38864 9.638567 21.51589 9.565856 -0.1272449     13.57967 
1 1 1 -7  21 55 o 41.79140 8.241693 102.6441       32.51546 102.9000       46.53804 102.4000       45.44890 38.62645 11.47407 38.73293 11.29506 -0.1064720     16.10070 
1 1 1 -7  21 56 o 16.76493 7.701015 -9.961033      28.85830 -11.28000      41.06418 -8.674000      40.56403 19.56741 9.058878 19.72696 9.086594 -0.1595421     12.83080 
1 1 1 -7  22 1  o 200.7386 4.277381 1976.471       84.04562 1958.000       169.7487 1982.470       96.73472 198.9215 8.739359 200.9722 4.917452 -2.050644      10.02785 
1 1 1 -7  22 2  o 123.8057 3.374662 751.7484       40.85749 862.2000       91.59468 724.3118       45.65088 132.1408 7.107687 121.4852 3.843851 10.65561       8.080496 
1 1 1 -7  22 3  o 181.4689 4.017363 1614.827       71.35912 1599.000       144.7065 1619.913       82.02615 179.8330 8.242691 181.6396 4.617298 -1.806564      9.447824 
1 1 1 -7  22 4  o 33.53988 6.015155 56.96184       19.02211 64.56000       49.92589 55.67154       20.57396 36.70513 12.03854 33.06380 6.588526 3.641331       13.72353 
1 1 1 -7  22 5  o 231.8308 4.750400 2637.703       107.7972 2795.000       225.7451 2591.242       122.6889 237.3989 9.735448 229.6781 5.457322 7.720795       11.16070 
1 1 1 -7  22 6  o 279.0172 6.370530 3829.537       173.9853 0.000000       0.000000 3829.537       173.9853 ?        ?        279.0172 6.370530 ?              ?        
1 1 1 -7  22 7  o 76.92893 5.705855 292.4196       42.65930 395.4000       64.04625 210.3000       57.19256 89.27283 7.395704 64.55293 9.321064 24.71989       11.89868 
1 1 1 -7  22 8  o 135.8113 4.119222 905.5357       54.69593 917.0000       97.91752 900.3362       65.94299 136.2045 7.371985 135.3221 4.986975 0.8823700      8.900342 
1 1 1 -7  22 9  o 174.8094 5.669193 1503.588       96.87630 1498.000       138.1135 1509.000       135.9204 173.9946 8.131997 174.6709 7.970839 -0.6762695     11.38699 
1 1 1 -7  22 10 o 210.1576 5.076318 2169.277       104.4240 2185.000       185.4133 2161.973       126.3718 209.9193 9.044872 209.5368 6.168174 0.3824921      10.94788 
1 1 1 -7  22 11 o 63.31395 3.490131 197.1286       21.54587 222.8000       57.49198 192.9340       23.23955 66.48664 9.070462 62.60563 3.810392 3.881012       9.838311 
1 1 1 -7  22 12 o 76.05223 3.704181 284.3185       27.49174 171.9000       59.59081 314.7147       30.98630 57.85046 10.92395 79.99884 3.969523 -22.14838      11.62281 
1 1 1 -7  22 13 o 137.2457 4.706600 926.0746       63.13484 0.000000       0.000000 926.0746       63.13484 ?        ?        137.2457 4.706600 ?              ?        
1 1 1 -7  22 14 o 56.47462 3.642984 157.0741       20.03059 0.000000       0.000000 157.0741       20.03059 ?        ?        56.47462 3.642984 ?              ?        
1 1 1 -7  22 15 o 194.3605 4.810697 1856.204       91.52129 1959.000       168.7484 1813.367       108.9344 198.5901 8.702249 191.8437 5.807801 6.746445       10.46230 
1 1 1 -7  22 16 o 131.6035 3.377479 849.9613       43.47178 920.1000       98.22222 832.8755       48.47832 136.2405 7.393118 130.2249 3.807272 6.015579       8.315859 
1 1 1 -7  22 17 o 104.6614 3.971441 538.5224       40.61179 616.2000       78.49332 510.1274       47.45761 111.4115 7.236904 101.7569 4.778046 9.654640       8.671937 
1 1 1 -7  22 18 o 172.2950 3.858758 1457.426       65.07682 1587.000       143.3156 1423.769       73.04118 178.6219 8.218984 170.1597 4.389019 8.462158       9.317467 
1 1 1 -7  22 19 o 69.48788 4.419603 238.3280       29.90488 279.7000       62.44090 226.0137       34.06595 74.46319 8.732582 67.55081 5.191894 6.912376       10.15942 
1 1 1 -7  22 20 f 155.4534 4.303203 1189.200       65.41543 1190.000       119.0197 1188.854       78.30284 154.5136 7.895657 155.2454 5.160079 -0.7318573     9.432275 
1 1 1 -7  22 21 o 49.64351 4.019685 121.9417       19.36569 125.6000       54.70710 121.4176       20.70644 48.81187 11.61858 49.49464 4.317227 -0.6827660     12.39475 
1 1 1 -7  22 22 o 121.3234 3.263996 723.2989       38.72626 763.6000       89.43807 713.9996       42.96252 123.6388 7.424495 120.4800 3.647280 3.158806       8.271988 
1 1 1 -7  22 23 o 119.7534 5.087840 709.4078       59.50272 619.6000       83.58134 801.7000       84.72952 111.1177 7.732828 126.7823 6.853104 -15.66460      10.33255 
1 1 1 -7  22 24 o 102.3792 5.056565 519.2977       50.51584 488.3000       73.18907 547.5000       69.81097 98.49542 7.651410 104.6045 6.855947 -6.109070      10.27366 
1 1 1 -7  22 25 o 113.1857 5.033041 635.0247       55.62125 612.6000       80.82314 655.2000       76.66233 110.3044 7.530947 114.3515 6.880939 -4.047127      10.20110 
1 1 1 -7  22 26 o 168.3799 5.665098 1410.170       93.23632 1376.000       132.1879 1444.000       131.5267 164.8766 8.216692 169.0749 7.969900 -4.198288      11.44698 
1 1 1 -7  22 27 o 46.41518 11.77146 117.2000       53.55082 117.2000       53.55082 0.000000       0.000000 46.41518 11.77146 ?        ?        ?              ?        
1 1 1 -7  22 28 o 90.07056 8.057785 415.0000       70.29067 415.0000       70.29067 0.000000       0.000000 90.07056 8.057785 ?        ?        ?              ?        
1 1 1 -7  22 29 o 117.0872 5.086042 683.1292       58.15118 712.9000       86.32809 658.4000       78.67944 118.4030 7.487086 113.9943 7.086386 4.408714       10.30890 
1 1 1 -7  22 30 o 61.96610 8.469950 200.1000       50.03054 0.000000       0.000000 200.1000       50.03054 ?        ?        61.96610 8.469950 ?              ?        
1 1 1 -7  22 31 f 40.44292 8.785848 87.44453       33.78325 58.96000       53.11230 106.8000       43.78169 34.42220 12.37298 44.23270 10.30435 -9.810509      16.10187 
1 1 1 -7  22 32 o 55.81440 6.644498 159.6900       35.58887 115.3000       54.21600 193.3000       47.17573 45.21228 12.03782 60.84343 8.124193 -15.63115      14.52280 
1 1 1 -7  22 33 o 68.90359 5.845553 240.4238       39.05344 211.5000       58.69542 263.4000       52.31365 62.69220 9.892668 71.34214 7.608682 -8.649944      12.48026 
1 1 1 -7  22 34 o 89.19410 5.269241 400.2763       45.79848 410.5000       68.47307 392.0000       61.60728 88.81201 7.961017 87.19549 7.284756 1.616524       10.79099 
1 1 1 -7  22 35 o 51.24178 7.382645 137.4139       35.96203 96.28000       52.88290 172.8000       49.04919 40.93099 12.24885 56.66441 9.155350 -15.73342      15.29231 
1 1 1 -7  22 36 o 75.14897 5.565549 286.8990       40.64845 232.9000       59.06022 335.5000       56.03053 65.43163 9.498827 80.33769 7.201551 -14.90607      11.92015 
1 1 1 -7  22 37 o 29.39250 9.638662 46.59506       32.00505 42.41000       49.27043 49.65000       42.09562 30.17868 11.69367 30.76232 11.02037 -0.5836372     16.06831 
1 1 1 -7  22 38 f 38.74446 9.137601 84.24139       34.08718 70.38000       52.47535 94.36000       44.83448 34.94482 12.32611 40.05318 11.06806 -5.108364      16.56608 
1 1 1 -7  22 39 o 48.98907 7.626462 129.3707       35.38047 148.7000       55.83196 116.4000       45.73586 49.74539 11.66908 44.57482 10.63196 5.170567       15.78626 
1 1 1 -7  22 40 o 13.03113 6.423079 -57.23169      29.23857 -60.53000      44.88274 -54.80000      38.53786 17.47303 8.468493 16.12345 7.822090 1.349588       11.52825 
1 1 1 -7  22 41 o 55.81937 10.26051 180.9000       53.99567 180.9000       53.99567 0.000000       0.000000 55.81937 10.26051 ?        ?        ?              ?        
1 1 1 -7  22 42 o 40.74616 8.612743 93.66056       33.27423 107.3000       49.14989 82.12000       45.21032 41.58295 11.62537 36.58993 11.40011 4.993019       16.28226 
1 1 1 -7  22 43 o 28.06014 10.92539 39.86000       43.16949 0.000000       0.000000 39.86000       43.16949 ?        ?        28.06014 10.92539 ?              ?        
1 1 1 -7  22 44 o 24.16297 9.382511 27.01145       31.77036 47.22000       47.26870 10.36000       42.90740 29.50056 11.44740 23.40525 10.14382 6.095308       15.29510 
1 1 1 -7  22 45 o 25.13885 9.347960 32.62095       30.70669 42.84000       45.97335 24.39000       41.25969 28.53707 11.22632 25.03442 10.34854 3.502651       15.26835 
1 1 1 -7  22 46 o 69.69014 5.755773 255.3102       38.91302 257.6000       57.70028 253.4000       52.70147 66.80672 9.056744 67.16571 8.185040 -0.3589859     12.20735 
1 1 1 -7  22 47 o 21.13364 8.832399 13.73847       30.52905 -17.94000      45.47497 39.73000       41.19136 20.44870 9.489752 27.22003 10.65079 -6.771332      14.26516 
1 1 1 -7  22 48 o 31.55878 9.616031 60.38417       32.38375 60.78000       48.26217 60.06000       43.67562 31.21882 11.69725 31.06876 11.21332 0.1500664      16.20383 
1 1 1 -7  22 49 o 36.12000 9.296603 78.79406       33.06068 55.15000       48.73571 98.95000       44.99743 30.09432 11.63845 38.92931 11.20539 -8.834991      16.15593 
1 1 1 -7  22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  22 51 o 21.23705 9.665861 -5.601000      44.10701 -5.601000      44.10701 0.000000       0.000000 21.23705 9.665861 ?        ?        ?              ?        
1 1 1 -7  22 52 o 36.68595 11.55071 90.98000       46.28890 0.000000       0.000000 90.98000       46.28890 ?        ?        36.68595 11.55071 ?              ?        
1 1 1 -7  22 53 o 32.08508 9.345404 63.29255       31.12937 19.12000       44.01489 107.5000       44.03228 23.99545 10.33621 40.61061 10.86473 -16.61517      14.99598 
1 1 1 -7  22 54 o 22.10034 8.907308 21.88475       29.63679 27.40000       42.74703 16.78000       41.12547 24.76062 10.40658 23.05106 9.960613 1.709562       14.40524 
1 1 1 -7  22 55 o 19.43242 8.430833 7.518636       29.70292 22.61000       42.15544 -7.361000      41.85868 23.75458 10.17199 20.12761 9.256341 3.626970       13.75315 
1 1 1 -7  23 1  o 194.7678 4.182282 1860.990       79.73275 1933.000       166.4383 1839.542       90.83394 197.5551 8.627941 193.5700 4.794064 3.985123       9.870380 
1 1 1 -7  23 2  o 91.42480 3.967268 410.7226       35.41822 387.9000       66.72165 419.6769       41.79265 88.32601 7.797407 92.35074 4.638161 -4.024727      9.072601 
1 1 1 -7  23 3  o 201.5665 4.276479 1993.451       84.37447 2213.000       183.1615 1934.312       95.06139 211.3206 8.874706 198.4771 4.893139 12.84351       10.13426 
1 1 1 -7  23 4  o 331.9843 6.434360 5425.078       209.0880 5896.000       445.0220 5291.674       236.8590 342.6630 13.29330 327.5789 7.386994 15.08401       15.20788 
1 1 1 -7  23 5  o 173.7710 4.551783 1483.189       77.35546 1657.000       146.1473 1415.543       91.17419 182.9606 8.181385 169.6180 5.498800 13.34256       9.857579 
1 1 1 -7  23 6  o 65.83792 3.492547 213.1113       22.42684 202.9000       58.10930 214.8985       24.31033 63.26228 9.692472 66.08916 3.773665 -2.826874      10.40118 
1 1 1 -7  23 7  o 183.0026 4.014103 1642.934       71.90384 1610.000       148.2231 1653.069       82.22697 180.2439 8.424661 183.5009 4.577937 -3.257065      9.588140 
1 1 1 -7  23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  23 9  o 78.08852 5.127395 300.9030       38.97452 436.9000       67.87332 234.0000       47.60550 93.79917 7.453798 68.50766 7.207061 25.29151       10.36826 
1 1 1 -7  23 10 o 90.78975 3.964724 405.1729       35.14857 397.9000       67.97493 407.8271       41.06447 89.40276 7.847212 91.01626 4.624521 -1.613503      9.108509 
1 1 1 -7  23 11 o 73.44643 3.315381 265.0226       23.77329 264.5000       61.53404 265.1143       25.77456 72.53246 8.850212 73.43433 3.596740 -0.9018707     9.553156 
1 1 1 -7  23 12 o 56.08438 3.749485 155.0027       20.46529 0.000000       0.000000 155.0027       20.46529 ?        ?        56.08438 3.749485 ?              ?        
1 1 1 -7  23 13 o 111.0598 4.961223 607.5397       53.79651 609.8000       80.31018 605.7000       72.45436 110.8259 7.446481 110.5962 6.724738 0.2296600      10.03355 
1 1 1 -7  23 14 o 139.6343 4.017283 957.9766       54.85030 905.9000       100.4470 980.1025       65.47377 135.0933 7.627190 141.1308 4.746327 -6.037460      8.983410 
1 1 1 -7  23 15 o 130.4167 3.369184 834.8939       42.97344 822.0000       93.56460 838.3411       48.37796 128.6627 7.461393 130.6348 3.787398 -1.972168      8.367602 
1 1 1 -7  23 16 f 56.61360 3.584724 157.9266       19.76272 235.9000       57.44170 147.4577       21.04764 68.32027 8.793246 54.65490 3.961188 13.66538       9.644283 
1 1 1 -7  23 17 o 136.5024 3.436216 915.0475       45.87558 997.2000       104.4490 895.4116       51.06467 141.5915 7.563794 134.9669 3.869327 6.624512       8.496038 
1 1 1 -7  23 18 o 115.8442 5.068693 662.3997       57.33556 588.7000       82.54666 731.1000       79.69780 108.5499 7.821420 121.3300 6.737217 -12.78014      10.32302 
1 1 1 -7  23 19 o 137.9366 4.110454 936.4250       55.43586 907.6000       100.5525 949.0120       66.44604 134.8680 7.648242 138.6981 4.902027 -3.830139      9.084352 
1 1 1 -7  23 20 o 87.85986 3.200247 379.4932       27.47603 333.1000       64.52414 389.7688       30.36679 81.26300 8.225039 89.00531 3.492373 -7.742310      8.935767 
1 1 1 -7  23 21 o 160.5154 4.366265 1270.146       68.53770 1132.000       117.9750 1340.524       84.20502 150.2222 8.052665 164.6488 5.231480 -14.42670      9.602801 
1 1 1 -7  23 22 o 63.23025 3.758688 197.4050       23.15812 139.2000       55.68430 209.5773       25.46475 51.15708 11.41088 65.11783 4.014672 -13.96075      12.09652 
1 1 1 -7  23 23 o 164.9999 5.580137 1351.227       89.99315 1251.000       124.7449 1460.000       129.9539 157.5343 8.117245 170.3951 7.812373 -12.86082      11.26600 
1 1 1 -7  23 24 o 174.4552 5.758546 1513.837       98.19907 1501.000       140.7847 1526.000       137.0399 172.1793 8.378655 173.8147 8.076878 -1.635376      11.63778 
1 1 1 -7  23 25 o 170.5231 5.719886 1447.935       95.33704 1345.000       131.7724 1561.000       138.1042 162.8098 8.296062 175.5996 8.056302 -12.78984      11.56411 
1 1 1 -7  23 26 o 138.3358 7.651987 969.6000       103.2095 969.6000       103.2095 0.000000       0.000000 138.3358 7.651987 ?        ?        ?              ?        
1 1 1 -7  23 27 o 86.42470 5.320337 373.2273       44.78917 355.7000       65.41044 388.7000       61.45714 83.23304 8.132329 87.45162 7.244514 -4.218582      10.89118 
1 1 1 -7  23 28 o 74.71635 5.653704 280.4023       41.04119 253.6000       60.75397 302.9000       55.66178 69.61861 9.135677 76.95300 7.484101 -7.334389      11.80984 
1 1 1 -7  23 29 o 74.22177 7.678929 283.3000       54.98288 0.000000       0.000000 283.3000       54.98288 ?        ?        74.22177 7.678929 ?              ?        
1 1 1 -7  23 30 o 20.75922 8.815447 3.749818       31.19720 -24.21000      48.56757 23.39000       40.70539 22.08500 10.08675 26.39291 10.50610 -4.307909      14.56436 
1 1 1 -7  23 31 o 56.75985 6.615687 165.1330       36.06725 109.1000       53.47365 211.9000       48.85259 43.93895 12.06622 63.76789 8.002480 -19.82895      14.47872 
1 1 1 -7  23 32 f 44.22586 7.869754 103.2350       32.81897 80.84000       50.96558 119.1000       42.89654 38.14703 12.13398 46.80420 9.682951 -8.657177      15.52395 
1 1 1 -7  23 33 o 36.47364 9.076791 72.51559       32.27560 56.24000       50.46637 83.78000       41.98439 33.27335 12.04751 38.73272 10.71332 -5.459373      16.12196 
1 1 1 -7  23 34 o 44.60712 8.076479 106.0987       33.96612 74.22000       50.78526 131.9000       45.68864 36.51070 12.14868 48.96806 9.873363 -12.45736      15.65483 
1 1 1 -7  23 35 o 26.09955 9.554054 32.15901       31.86089 52.54000       49.65947 17.90000       41.53691 32.14635 11.90012 25.19857 10.39658 6.947781       15.80195 
1 1 1 -7  23 36 o 72.14057 5.667542 265.9515       39.69918 219.0000       58.55191 305.9000       54.00909 62.84433 9.841247 76.36040 7.315255 -13.51607      12.26226 
1 1 1 -7  23 37 o 54.53346 6.776287 156.3151       35.39311 113.3000       53.54150 189.7000       47.16880 43.20605 12.15323 59.13428 8.383860 -15.92822      14.76449 
1 1 1 -7  23 38 o 30.18411 9.475063 51.14011       31.17031 37.82000       49.52116 59.88000       40.11345 28.96991 11.56944 32.33566 10.79796 -3.365749      15.82554 
1 1 1 -7  23 39 o 36.78706 9.162866 77.24575       32.86942 61.44000       48.13987 91.05000       44.98872 32.69101 11.77590 38.83448 11.21234 -6.143467      16.26003 
1 1 1 -7  23 40 o 21.33573 9.733296 -13.71000      45.05511 -13.71000      45.05511 0.000000       0.000000 21.33573 9.733296 ?        ?        ?              ?        
1 1 1 -7  23 41 o 39.88838 8.711604 90.18698       33.05868 143.7000       49.55380 47.27000       44.37740 49.16248 10.60925 29.62331 11.19131 19.53918       15.42081 
1 1 1 -7  23 42 o 42.58635 11.06603 111.4000       46.54268 0.000000       0.000000 111.4000       46.54268 ?        ?        42.58635 11.06603 ?              ?        
1 1 1 -7  23 43 o 22.00743 9.061089 16.04501       31.46408 9.974000       46.12173 21.33000       43.03257 23.94254 10.44505 24.94517 10.45998 -1.002625      14.78209 
1 1 1 -7  23 44 o 46.14057 7.691150 117.9570       33.51397 118.5000       49.57560 117.5000       45.48055 43.20414 11.51477 43.72887 10.71169 -0.5247269     15.72673 
1 1 1 -7  23 45 o 17.60326 7.994209 -9.071284      29.96265 20.70000       45.40272 -32.04000      39.87966 24.90875 10.60820 17.93781 8.499633 6.970938       13.59329 
1 1 1 -7  23 46 o 34.83419 9.276329 72.83943       32.19101 76.53000       48.20979 69.87000       43.24390 34.13165 11.83016 33.06074 11.21226 1.070911       16.29930 
1 1 1 -7  23 47 o 30.45545 9.609443 56.11636       32.02124 94.18000       48.40637 26.50000       42.69856 37.54455 11.81071 25.17457 10.47746 12.36998       15.78829 
1 1 1 -7  23 48 o 34.73447 9.396799 73.32949       32.71541 51.76000       48.55731 91.26000       44.27218 29.50967 11.55887 37.32065 11.21633 -7.810976      16.10631 
1 1 1 -7  23 49 o 30.20808 9.599316 55.65247       31.90361 88.22000       46.70391 27.16000       43.68435 36.26950 11.62415 25.25060 10.56008 11.01890       15.70465 
1 1 1 -7  23 50 o 30.70384 9.957859 58.34690       34.20728 42.70000       46.91346 76.11000       49.98533 27.87285 11.21627 33.57950 12.01121 -5.706648      16.43392 
1 1 1 -7  23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -7  23 52 o 20.08652 8.584808 9.596348       29.92189 -16.02000      42.10202 35.74000       42.53315 19.65009 9.123224 26.26228 10.63984 -6.612188      14.01569 
1 1 1 -7  23 53 o 44.40625 7.785697 113.3038       32.60820 107.0000       46.31486 119.5000       45.91763 39.68603 11.35098 42.52042 10.96246 -2.834393      15.78037 
1 1 1 -7  23 54 o 16.63517 7.653207 -10.71784      28.65385 -68.81000      40.79839 45.83000       40.25245 15.21428 7.515660 27.34921 10.57704 -12.13493      12.97532 
1 1 1 -7  23 55 o 24.49651 9.240918 34.62325       30.23207 43.07000       42.53527 26.00000       42.97737 26.71290 10.70401 24.16062 10.30626 2.552280       14.85916 
1 1 1 -7  24 1  o 269.7083 5.376625 3576.059       141.9418 3704.000       292.0383 3536.487       162.4164 272.3664 10.97667 268.0174 6.191000 4.349060       12.60221 
1 1 1 -7  24 2  o 99.44041 3.257036 485.2671       31.65959 476.4000       72.38967 487.3643       35.20504 97.93420 7.611262 99.62394 3.616230 -1.689735      8.426650 
1 1 1 -7  24 3  o 116.9304 3.298478 670.8323       37.71490 748.2000       87.33101 653.0948       41.81532 122.9220 7.291016 115.3347 3.708808 7.587334       8.180109 
1 1 1 -7  24 4  o 191.4466 4.143023 1798.670       77.63745 1766.000       158.2652 1809.024       89.09390 188.6685 8.592538 191.9160 4.742753 -3.247559      9.814551 
1 1 1 -7  24 5  o 191.4793 4.126665 1799.336       77.34409 1985.000       168.9356 1750.099       86.99744 200.0073 8.649619 188.7631 4.708506 11.24414       9.848144 
1 1 1 -7  24 6  o 127.1722 4.018757 794.4230       49.96255 770.7000       91.12426 804.6201       59.74323 124.6892 7.500869 127.8900 4.780918 -3.200745      8.894954 
1 1 1 -7  24 7  o 15.26908 6.338268 2.716411       15.56766 -59.66000      49.69308 9.504334       16.39284 19.94298 9.460912 17.41738 6.746101 2.525595       11.61976 
1 1 1 -7  24 8  o 64.85928 3.830121 207.1287       24.20767 158.4000       57.04278 217.8322       26.73447 55.39898 10.90785 66.48824 4.128272 -11.08926      11.66292 
1 1 1 -7  24 9  o 132.5626 3.828024 863.0345       49.61887 0.000000       0.000000 863.0345       49.61887 ?        ?        132.5626 3.828024 ?              ?        
1 1 1 -7  24 10 o 23.19913 9.611431 7.429000       35.70115 0.000000       0.000000 7.429000       35.70115 ?        ?        23.19913 9.611431 ?              ?        
1 1 1 -7  24 11 o 96.86245 4.616919 462.1358       43.64775 0.000000       0.000000 462.1358       43.64775 ?        ?        96.86245 4.616919 ?              ?        
1 1 1 -7  24 12 o 98.85263 3.912358 480.4977       37.78109 548.5000       74.23839 456.7295       43.88984 105.0528 7.264360 96.27545 4.671328 8.777359       8.636679 
1 1 1 -7  24 13 o 173.5162 3.866259 1478.323       65.66547 1558.000       140.9851 1456.249       74.20581 176.9606 8.161339 172.0762 4.409291 4.884430       9.276277 
1 1 1 -7  24 14 o 104.3935 3.667835 535.6838       37.42091 555.2000       75.62174 529.3552       43.06292 105.5998 7.362172 103.6970 4.251607 1.902794       8.501632 
1 1 1 -7  24 15 o 53.64053 3.885182 142.0847       20.26083 165.5000       54.07863 138.2613       21.85247 56.63412 10.12708 52.86190 4.259327 3.772224       10.98634 
1 1 1 -7  24 16 o 83.23076 4.169758 341.4685       33.86223 440.9000       69.34353 310.3333       38.80340 93.88914 7.610631 79.20309 5.031206 14.68604       9.123307 
1 1 1 -7  24 17 o 89.81003 4.071033 397.4494       35.69480 454.9000       70.14857 377.3768       41.46422 95.33417 7.579694 87.37926 4.867192 7.954910       9.007848 
1 1 1 -7  24 18 o 165.9767 3.761642 1354.311       61.11262 1424.000       131.8698 1335.250       68.96554 168.6871 8.009391 164.6409 4.283091 4.046280       9.082687 
1 1 1 -7  24 19 o 181.2608 4.703407 1621.411       83.37880 1484.000       141.9581 1693.780       103.0214 171.8129 8.467165 184.9083 5.698802 -13.09540      10.20633 
1 1 1 -7  24 20 o 84.47004 3.189237 351.0557       26.32176 360.4000       64.06475 349.1580       28.87116 84.49180 7.835643 84.19409 3.510997 0.2977066      8.586291 
1 1 1 -7  24 21 o 73.30637 4.172326 265.7433       29.81461 183.4000       57.18361 296.4842       34.93945 59.19902 10.23888 77.35277 4.635870 -18.15375      11.23949 
1 1 1 -7  24 22 o 96.49401 3.115494 458.1824       29.38759 434.6000       69.28004 463.3567       32.45184 92.69543 7.705211 96.98347 3.423870 -4.288040      8.431676 
1 1 1 -7  24 23 o 73.94585 5.555318 273.1190       39.91555 289.6000       60.34599 260.3000       53.22117 75.24060 8.333428 71.51019 7.725960 3.730415       11.36382 
1 1 1 -7  24 24 o 78.27119 5.581138 306.3383       42.47878 261.6000       61.28780 347.7000       58.92968 71.07921 9.011198 82.79242 7.347960 -11.71321      11.62730 
1 1 1 -7  24 25 o 28.11438 11.42686 21.95000       49.24108 21.95000       49.24108 0.000000       0.000000 28.11438 11.42686 ?        ?        ?              ?        
1 1 1 -7  24 26 o 92.42018 5.218629 426.5915       47.01770 380.8000       67.56020 469.6000       65.47497 86.08161 8.113863 96.22803 6.999174 -10.14642      10.71556 
1 1 1 -7  24 27 o 36.89714 11.26622 73.57000       44.42140 0.000000       0.000000 73.57000       44.42140 ?        ?        36.89714 11.26622 ?              ?        
1 1 1 -7  24 28 o 105.7456 7.066986 569.5000       72.72821 0.000000       0.000000 569.5000       72.72821 ?        ?        105.7456 7.066986 ?              ?        
1 1 1 -7  24 29 o 65.59858 5.998542 218.1161       38.09063 241.9000       58.78183 200.9000       50.01131 67.67668 9.104283 61.89285 8.477635 5.783829       12.44019 
1 1 1 -7  24 30 o 49.82188 7.365103 129.1823       34.83636 111.5000       53.38006 142.3000       45.97682 44.38241 12.00148 51.40746 9.486462 -7.025043      15.29799 
1 1 1 -7  24 31 o 71.57034 5.645782 259.0848       39.23145 274.7000       60.26399 247.6000       51.68264 72.16430 8.707377 68.96483 7.792484 3.199471       11.68509 
1 1 1 -7  24 32 o 23.24492 9.122737 19.39018       30.29638 13.54000       46.21191 23.80000       40.12174 25.73261 10.81792 26.09698 10.41654 -0.3643684     15.01771 
1 1 1 -7  24 33 o 34.42123 9.209370 65.08690       31.63576 95.66000       48.65811 42.70000       41.63729 40.83701 11.61975 29.67623 10.91225 11.16078       15.94039 
1 1 1 -7  24 34 o 29.99970 9.469052 48.79121       31.08985 38.51000       48.30877 56.06000       40.61956 29.56747 11.54449 32.12122 10.86692 -2.553743      15.85450 
1 1 1 -7  24 35 o 70.36113 5.665070 253.2692       38.68661 227.9000       57.69037 274.0000       52.15039 64.34988 9.439535 72.06275 7.503085 -7.712868      12.05824 
1 1 1 -7  24 36 o 24.93450 9.327728 29.07936       30.66436 -8.815000      46.94971 57.27000       40.49469 22.54888 10.14524 31.92185 10.84971 -9.372963      14.85402 
1 1 1 -7  24 37 o 70.59755 5.636654 256.5746       38.62761 232.3000       58.36019 275.5000       51.53045 64.33150 9.558061 71.90661 7.428115 -7.575104      12.10510 
1 1 1 -7  24 38 o 29.04100 11.27002 41.97000       45.81807 41.97000       45.81807 0.000000       0.000000 29.04100 11.27002 ?        ?        ?              ?        
1 1 1 -7  24 39 o 22.34031 9.168837 16.02035       32.08382 33.64000       44.36582 -3.296000      46.45285 27.37115 10.94406 22.73784 10.17154 4.633312       14.94097 
1 1 1 -7  24 40 f 19.61500 8.544586 1.832107       30.76848 54.06000       45.44547 -42.37000      41.80814 30.89498 11.39346 17.86016 8.530289 13.03481       14.23294 
1 1 1 -7  24 41 o 20.33813 9.315043 -14.37000      41.80553 0.000000       0.000000 -14.37000      41.80553 ?        ?        20.33813 9.315043 ?              ?        
1 1 1 -7  24 42 o 39.89916 8.797519 91.54449       33.43258 94.27000       49.10815 89.19000       45.64337 38.33228 11.87145 37.61335 11.40710 0.7189217      16.46370 
1 1 1 -7  24 43 o 18.37793 8.193995 -3.791083      29.88383 -55.09000      45.05634 36.50000       39.93064 17.59649 8.517947 26.87337 10.49486 -9.276884      13.51657 
1 1 1 -7  24 44 o 14.63658 7.027182 -34.16894      29.19335 13.41000       44.27326 -70.77000      38.83121 23.75565 10.29981 14.90479 7.357083 8.850857       12.65751 
1 1 1 -7  24 45 o 29.66617 9.702421 52.83627       32.43946 113.2000       49.16055 6.281000       43.17308 41.50784 11.63470 22.55757 9.964095 18.95027       15.31827 
1 1 1 -7  24 46 o 26.94225 9.621411 41.72341       32.06018 51.62000       48.71125 34.16000       42.58389 29.56958 11.57870 26.31089 10.65103 3.258692       15.73247 
1 1 1 -7  24 47 o 38.96000 8.928954 90.09740       33.32029 146.5000       51.21792 48.71000       43.87393 47.77204 11.15633 28.78669 11.06638 18.98535       15.71395 
1 1 1 -7  24 48 o 18.38499 8.250331 -3.815889      30.82499 54.71000       45.22876 -54.58000      42.12298 29.81468 11.29035 16.65185 8.101231 13.16282       13.89611 
1 1 1 -7  24 49 o 24.68224 9.425339 32.13869       31.68419 27.58000       44.72857 36.73000       44.88828 25.38052 10.65471 26.75704 10.89710 -1.376526      15.24039 
1 1 1 -7  24 50 o 34.58323 11.55801 80.69000       45.95780 0.000000       0.000000 80.69000       45.95780 ?        ?        34.58323 11.55801 ?              ?        
1 1 1 -7  24 51 o 29.53026 9.610735 53.71001       31.84860 66.18000       46.09602 42.32000       44.05472 31.63041 11.50522 27.40705 10.92321 4.223358       15.86463 
1 1 1 -7  24 52 o 26.46226 10.91321 36.78000       45.74093 36.78000       45.74093 0.000000       0.000000 26.46226 10.91321 ?        ?        ?              ?        
1 1 1 -7  24 53 o 25.49134 9.275714 38.27518       29.96579 16.84000       42.73962 59.00000       42.02546 23.12675 10.07251 29.84832 10.96511 -6.721567      14.88923 
1 1 1 -7  24 54 o 18.95736 8.284438 5.690711       29.12200 0.6384000      41.25241 10.71000       41.11738 20.78426 9.415498 21.94581 9.707523 -1.161543      13.52359 
1 1 1 -7  25 1  o 94.47023 3.294963 438.1945       30.42190 527.1000       71.70215 418.6768       33.59566 103.0486 7.152997 92.29762 3.726321 10.75094       8.065411 
1 1 1 -7  25 2  o 182.2516 4.710222 1633.438       83.95658 1630.000       147.2324 1635.095       102.2011 181.1428 8.326052 182.1330 5.739888 -0.9902191     10.11284 
1 1 1 -7  25 3  o 115.1797 3.307544 651.1469       37.25098 669.5000       82.47443 646.4432       41.75245 116.1572 7.290593 114.7184 3.723215 1.438759       8.186274 
1 1 1 -7  25 4  o 161.9979 3.735279 1287.810       59.22960 1355.000       126.4173 1268.912       67.04349 165.2451 7.838109 160.6839 4.266408 4.561234       8.924023 
1 1 1 -7  25 5  o 44.47436 4.784018 98.34224       20.49903 121.8000       51.49301 93.92459       22.34604 48.37954 11.10864 43.35967 5.380504 5.019871       12.34308 
1 1 1 -7  25 6  o 213.5801 5.170275 2244.398       108.0888 2218.000       189.4115 2257.145       131.6247 210.9278 9.196260 213.8229 6.295788 -2.895111      11.14487 
1 1 1 -7  25 7  o 180.5945 3.985207 1601.368       70.44685 1653.000       147.8411 1586.200       80.12859 182.3194 8.306124 179.5900 4.561953 2.729324       9.476450 
1 1 1 -7  25 8  o 85.01502 3.210092 354.9970       26.66481 407.0000       67.12715 345.2541       29.05550 90.32218 7.665046 83.80483 3.550079 6.517349       8.447248 
1 1 1 -7  25 9  o 98.88338 3.577091 480.5096       34.56554 0.000000       0.000000 480.5096       34.56554 ?        ?        98.88338 3.577091 ?              ?        
1 1 1 -7  25 10 o 38.87539 4.729218 75.42159       17.62596 0.000000       0.000000 75.42159       17.62596 ?        ?        38.87539 4.729218 ?              ?        
1 1 1 -7  25 11 o 182.7081 5.710067 1648.202       101.9933 0.000000       0.000000 1648.202       101.9933 ?        ?        182.7081 5.710067 ?              ?        
1 1 1 -7  25 12 o 86.55589 5.145055 370.4286       43.39392 352.9000       65.42030 384.2000       57.98652 83.85059 8.070331 87.82909 6.797885 -3.978493      10.55185 
1 1 1 -7  25 13 o 14.82288 5.854541 6.010801       12.54758 -76.19000      47.95940 12.05087       13.00040 18.18374 8.798820 17.01907 6.120961 1.164671       10.71846 
1 1 1 -7  25 14 o 66.15259 3.664573 215.6546       23.63612 271.9000       57.37934 204.1602       25.93908 73.42173 8.119585 64.29723 4.143568 9.124504       9.115746 
1 1 1 -7  25 15 o 34.92599 4.832062 61.24633       16.07710 42.27000       48.81537 63.55508       17.02704 31.91984 11.80176 35.55334 5.033317 -3.633505      12.83027 
1 1 1 -7  25 16 o 82.68858 3.135587 336.2118       25.33279 382.4000       65.31124 328.0322       27.48453 87.20334 7.731580 81.63480 3.447351 5.568535       8.465315 
1 1 1 -7  25 17 o 94.53284 3.165352 439.4327       29.24812 486.5000       71.23447 429.8890       32.07663 98.45579 7.446889 93.44833 3.513055 5.007462       8.233936 
1 1 1 -7  25 18 o 80.97128 4.195508 323.9464       33.13890 235.5000       60.78408 361.3545       39.53050 67.61190 9.441729 85.42062 4.746510 -17.80872      10.56767 
1 1 1 -7  25 19 o 75.89079 3.250918 283.6493       24.09317 241.3000       59.53467 291.9434       26.34707 68.48849 9.106112 76.95528 3.506959 -8.466789      9.758076 
1 1 1 -7  25 20 f 85.24491 3.196153 357.8109       26.62149 310.6000       63.14999 368.0140       29.35760 77.99921 8.403822 86.40556 3.478253 -8.406349      9.095189 
1 1 1 -7  25 21 o 41.47907 4.593029 86.08507       18.33599 119.0000       51.92725 81.39642       19.59849 46.94506 11.41293 40.21737 5.092546 6.727695       12.49756 
1 1 1 -7  25 22 o 146.3458 4.138914 1058.651       59.22929 971.4000       105.4170 1098.901       71.59918 138.4337 7.811388 148.8007 4.922606 -10.36697      9.233084 
1 1 1 -7  25 23 o 52.87196 10.76215 150.5000       53.80079 150.5000       53.80079 0.000000       0.000000 52.87196 10.76215 ?        ?        ?              ?        
1 1 1 -7  25 24 o 56.08487 10.19796 168.2000       53.92255 168.2000       53.92255 0.000000       0.000000 56.08487 10.19796 ?        ?        ?              ?        
1 1 1 -7  25 25 o 103.2716 5.044238 532.0835       50.83546 550.4000       74.84892 516.4000       69.26029 103.9134 7.407382 100.8207 7.062922 3.092766       10.23495 
1 1 1 -7  25 26 f 82.23450 7.395173 346.3000       58.89115 0.000000       0.000000 346.3000       58.89115 ?        ?        82.23450 7.395173 ?              ?        
1 1 1 -7  25 27 o 65.33459 8.271486 222.7000       51.71358 0.000000       0.000000 222.7000       51.71358 ?        ?        65.33459 8.271486 ?              ?        
1 1 1 -7  25 28 o 128.8848 5.185086 831.9129       65.27946 875.9000       96.49943 794.8000       88.63887 130.5865 7.582144 124.5908 7.300272 5.995682       10.52534 
1 1 1 -7  25 29 f 43.56937 8.216062 100.8738       33.75434 96.19000       51.09818 104.5000       44.96040 41.26360 11.96015 43.38511 10.66399 -2.121510      16.02391 
1 1 1 -7  25 30 o 33.26060 9.326254 60.22929       31.58206 32.01000       48.42268 81.12000       41.66317 28.93164 11.47756 38.13831 10.71819 -9.206663      15.70395 
1 1 1 -7  25 31 o 89.13367 5.127542 399.8203       44.54723 375.0000       64.39468 422.6000       61.69085 84.77215 7.849654 90.58375 7.012241 -5.811600      10.52562 
1 1 1 -7  25 32 o 49.91222 7.081562 130.3951       33.62722 153.5000       50.06238 111.4000       45.39205 52.62808 10.08522 44.40656 10.59199 8.221523       14.62539 
1 1 1 -7  25 33 f 70.96900 5.572692 256.6784       38.40119 185.8000       55.29721 322.7000       53.36906 57.71258 10.15962 78.75837 6.995582 -21.04579      12.33516 
1 1 1 -7  25 34 o 58.84830 6.222495 179.4532       35.30079 192.7000       53.15370 169.0000       47.21756 58.94582 9.538049 55.48825 9.001719 3.457569       13.11508 
1 1 1 -7  25 35 o 32.52307 9.409702 59.98875       31.65512 24.38000       48.06707 87.26000       42.06510 26.84105 11.13922 38.49829 10.75195 -11.65724      15.48182 
1 1 1 -7  25 36 o 36.20362 8.929883 74.14389       31.44494 90.23000       49.83106 63.50000       40.53448 38.41130 11.96866 33.06882 10.84742 5.342472       16.15288 
1 1 1 -7  25 37 o 92.37026 7.607967 457.6000       68.17784 457.6000       68.17784 0.000000       0.000000 92.37026 7.607967 ?        ?        ?              ?        
1 1 1 -7  25 38 o 38.74183 8.805615 85.30362       32.63237 73.95000       47.23510 95.67000       45.13478 34.83336 11.71846 39.57603 11.16760 -4.742664      16.18758 
1 1 1 -7  25 39 o 39.56502 11.19528 96.35000       45.29484 0.000000       0.000000 96.35000       45.29484 ?        ?        39.56502 11.19528 ?              ?        
1 1 1 -7  25 40 o 27.15118 9.722163 40.16328       32.75790 33.13000       50.45019 45.29000       43.07289 27.73870 11.45256 28.94760 11.00498 -1.208906      15.88303 
1 1 1 -7  25 41 o 29.64544 9.593375 51.21060       31.75932 53.46000       47.20255 49.35000       42.92981 30.49029 11.53682 29.53527 11.03914 0.9550133      15.96750 
1 1 1 -7  25 42 o 42.58467 8.259238 102.7110       33.18444 94.66000       49.26091 109.4000       44.90125 38.16845 11.90108 41.96496 10.85132 -3.796513      16.10549 
1 1 1 -7  25 43 f 38.88973 8.775222 88.28654       32.60761 93.70000       48.86205 83.94000       43.78312 37.65628 11.86892 36.15482 11.21139 1.501461       16.32686 
1 1 1 -7  25 44 o 35.62985 9.359777 76.51267       33.05873 78.65000       49.89339 74.84000       44.13808 34.38994 12.02780 33.99237 11.32614 0.3975677      16.52119 
1 1 1 -7  25 45 o 32.39534 9.606173 64.19762       32.64223 44.86000       48.78747 79.87000       43.92123 28.46516 11.44386 34.92665 11.27992 -6.461489      16.06856 
1 1 1 -7  25 46 o 29.96136 9.714222 54.68533       32.55524 42.14000       49.25133 64.42000       43.38479 28.03558 11.41568 31.71324 11.20581 -3.677664      15.99649 
1 1 1 -7  25 47 o 25.70326 10.92229 26.96000       47.94629 26.96000       47.94629 0.000000       0.000000 25.70326 10.92229 ?        ?        ?              ?        
1 1 1 -7  25 48 o 28.44499 9.637216 48.81744       31.94726 -4.504000      44.67914 104.6000       45.69862 21.40604 9.737151 39.80298 11.23905 -18.39694      14.87038 
1 1 1 -7  25 49 o 23.22074 10.13440 13.45000       43.45815 0.000000       0.000000 13.45000       43.45815 ?        ?        23.22074 10.13440 ?              ?        
1 1 1 -7  25 50 o 21.90166 8.979319 19.36431       30.72985 -7.137000      43.80653 45.04000       43.11876 20.83331 9.539416 27.75616 10.88630 -6.922852      14.47453 
1 1 1 -7  25 51 o 30.00056 9.441053 55.97630       30.92805 39.30000       43.96762 72.31000       43.51363 26.70445 10.81822 32.70502 11.24351 -6.000566      15.60289 
1 1 1 -7  25 52 o 18.65242 8.242226 2.292729       29.56776 -9.197000      41.96479 13.62000       41.66706 20.02543 9.230591 22.57015 9.885209 -2.544722      13.52484 
1 1 1 -7  25 53 o 16.07000 7.841826 -51.31000      40.31088 -51.31000      40.31088 0.000000       0.000000 16.07000 7.841826 ?        ?        ?              ?        
1 1 1 -7  26 1  o 78.04190 3.377952 299.4089       25.74292 279.5000       60.15107 303.8731       28.48322 74.52842 8.391123 78.58652 3.713343 -4.058098      9.176048 
1 1 1 -7  26 2  o 115.8270 3.346364 658.8207       37.89951 587.8000       79.52522 679.6912       43.10998 108.6392 7.524959 117.5984 3.749954 -8.959152      8.407565 
1 1 1 -7  26 3  o 129.0376 3.409882 817.6660       43.03098 813.8000       91.64288 818.7594       48.73792 127.9503 7.348209 129.0625 3.862334 -1.112144      8.301434 
1 1 1 -7  26 4  o 174.4445 5.690277 1502.227       97.03210 1528.000       139.3963 1478.000       135.1504 175.1500 8.153204 172.2974 8.035823 2.852539       11.44767 
1 1 1 -7  26 5  o 78.62625 3.797732 304.3089       29.14150 268.0000       59.65839 315.6874       33.39697 72.89736 8.521501 80.02508 4.279143 -7.127716      9.535567 
1 1 1 -7  26 6  o 73.94147 4.369669 269.7669       31.48489 243.2000       60.10117 279.8155       36.96272 69.23512 9.087689 75.21014 5.050168 -5.975014      10.39665 
1 1 1 -7  26 7  o 151.9841 3.619191 1134.296       53.84132 1113.000       113.0400 1140.545       61.23334 149.4653 7.753051 152.2734 4.112021 -2.808075      8.776019 
1 1 1 -7  26 8  o 153.0656 4.147027 1152.716       62.07554 0.000000       0.000000 1152.716       62.07554 ?        ?        153.0656 4.147027 ?              ?        
1 1 1 -7  26 9  f 192.5224 4.170674 1822.712       78.59479 1691.000       156.3546 1867.244       90.91586 183.7706 8.717027 194.7169 4.770126 -10.94632      9.936833 
1 1 1 -7  26 10 o 100.2901 3.976424 495.2577       38.95786 591.0000       76.54678 461.7893       45.25768 108.8476 7.225489 96.70135 4.796352 12.14628       8.672524 
1 1 1 -7  26 11 o 39.31281 4.370676 76.99333       16.53459 133.9000       52.57121 70.74604       17.41856 50.49632 10.95197 37.58389 4.847610 12.91243       11.97685 
1 1 1 -7  26 12 o 59.55611 4.846758 176.0213       28.01021 195.0000       55.02916 169.3846       32.54116 61.60970 9.424195 58.24271 5.784376 3.366985       11.05778 
1 1 1 -7  26 13 o 55.92179 6.040927 156.6793       32.54250 0.000000       0.000000 156.6793       32.54250 ?        ?        55.92179 6.040927 ?              ?        
1 1 1 -7  26 14 o 67.39777 3.705833 224.0804       24.35359 282.3000       57.45388 211.3286       26.88871 74.69953 7.981215 65.36738 4.225084 9.332153       9.030566 
1 1 1 -7  26 15 o 78.69478 3.571831 305.2073       27.44160 307.5000       59.68744 304.5927       30.90110 77.94570 7.933661 78.54053 4.033023 -0.5948257     8.899902 
1 1 1 -7  26 16 o 115.2043 3.684901 653.8665       41.49940 657.7000       80.45689 652.4769       48.44037 114.4818 7.216658 114.9416 4.313155 -0.4598236     8.407345 
1 1 1 -7  26 17 o 83.25669 3.156331 341.2283       25.67561 368.4000       63.77727 335.9727       28.04901 85.31882 7.720328 82.56055 3.478668 2.758270       8.467857 
1 1 1 -7  26 18 o 48.95363 5.648492 120.5683       26.57022 111.8000       51.62684 123.7276       30.98948 45.51352 11.56635 49.36699 6.576603 -3.853466      13.30535 
1 1 1 -7  26 19 o 61.97039 3.461213 189.6678       20.91172 168.5000       54.60014 193.3066       22.63787 56.44456 10.26030 62.52105 3.715923 -6.076492      10.91246 
1 1 1 -7  26 20 o 84.88058 4.096779 356.6569       33.93695 321.7000       63.14783 370.8534       40.24235 79.22494 8.264497 86.38266 4.777994 -7.157722      9.546263 
1 1 1 -7  26 21 o 63.16239 4.588177 198.6897       28.17303 137.0000       54.29860 221.4149       32.95620 50.15810 11.32823 66.56402 5.096916 -16.40592      12.42205 
1 1 1 -7  26 22 o 40.85061 12.03514 91.50000       51.37317 91.50000       51.37317 0.000000       0.000000 40.85061 12.03514 ?        ?        ?              ?        
1 1 1 -7  26 23 o 32.89735 11.88672 51.94000       49.09600 51.94000       49.09600 0.000000       0.000000 32.89735 11.88672 ?        ?        ?              ?        
1 1 1 -7  26 24 o 80.54173 5.456068 325.5858       42.75983 274.5000       61.20308 374.3000       59.76560 72.47736 8.807683 85.61990 7.197909 -13.14255      11.37476 
1 1 1 -7  26 25 o 99.37903 7.121427 504.2000       68.81442 0.000000       0.000000 504.2000       68.81442 ?        ?        99.37903 7.121427 ?              ?        
1 1 1 -7  26 26 o 118.7586 5.240541 706.6910       60.76822 586.4000       84.27135 837.0000       87.71026 106.4047 8.153311 128.1020 7.021862 -21.69735      10.76025 
1 1 1 -7  26 27 o 66.87439 6.027376 227.1605       39.03133 171.3000       56.48706 278.2000       53.99453 55.82030 10.72802 73.29083 7.638483 -17.47054      13.16954 
1 1 1 -7  26 28 o 76.92203 5.664937 299.2431       42.35402 204.2000       60.60070 390.0000       59.21848 61.05326 10.52027 87.15914 7.000073 -26.10588      12.63634 
1 1 1 -7  26 29 o 54.58761 6.898249 154.4001       36.03704 131.4000       53.73529 173.2000       48.58167 48.04480 11.56606 56.80756 9.039545 -8.762756      14.67948 
1 1 1 -7  26 30 o 50.91272 7.107605 135.3463       34.45654 144.7000       51.37714 127.7000       46.45205 50.84539 10.66420 47.93098 10.21373 2.914406       14.76636 
1 1 1 -7  26 31 o 61.14442 6.069734 192.0027       35.84819 171.5000       52.82906 209.5000       48.80385 55.56474 10.08461 62.77721 8.133273 -7.212471      12.95567 
1 1 1 -7  26 32 o 51.02854 6.808484 136.4532       33.15928 135.6000       50.49579 137.1000       43.96766 48.54662 10.89474 49.77159 9.368656 -1.224976      14.36896 
1 1 1 -7  26 33 o 51.21508 6.854368 138.2064       33.49952 129.8000       50.52705 144.8000       44.74849 47.03330 11.14664 51.01014 9.304964 -3.976845      14.51998 
1 1 1 -7  26 34 o 59.93871 6.181738 187.1691       35.74842 201.1000       55.51449 177.3000       46.72572 59.56199 9.867227 56.72371 8.692180 2.838287       13.14976 
1 1 1 -7  26 35 o 52.89088 6.751282 148.1824       34.15639 134.2000       52.13106 158.7000       45.21309 47.13936 11.41990 53.29741 8.985913 -6.158047      14.53137 
1 1 1 -7  26 36 o 24.99109 10.49552 18.96000       43.42962 18.96000       43.42962 0.000000       0.000000 24.99109 10.49552 ?        ?        ?              ?        
1 1 1 -7  26 37 o 51.74355 6.709717 142.6098       33.18394 106.8000       48.11298 175.1000       45.82867 41.55954 11.45833 56.02573 8.633826 -14.46620      14.34700 
1 1 1 -7  26 38 f 23.54020 10.05020 13.09000       40.93074 0.000000       0.000000 13.09000       40.93074 ?        ?        23.54020 10.05020 ?              ?        
1 1 1 -7  26 39 o 18.58748 8.319145 -5.260634      31.11628 14.46000       47.39536 -20.20000      41.25167 24.74470 10.69272 19.55680 9.062867 5.187904       14.01677 
1 1 1 -7  26 40 o 28.30151 9.622490 45.90139       31.85232 52.76000       47.14189 40.14000       43.20687 30.30384 11.51483 27.85521 10.90563 2.448633       15.85951 
1 1 1 -7  26 41 o 24.03082 9.246458 27.80066       30.64932 6.279000       45.49174 45.69000       41.47551 23.21006 10.24128 28.60685 10.81655 -5.396790      14.89569 
1 1 1 -7  26 42 o 31.53781 9.494411 59.84349       31.70271 95.20000       48.03164 32.55000       42.20096 37.99763 11.73598 26.16830 10.59951 11.82933       15.81401 
1 1 1 -7  26 43 o 30.18939 9.654076 55.14684       32.22790 105.6000       49.39149 17.74000       42.52883 39.75293 11.82355 23.87942 10.22101 15.87351       15.62899 
1 1 1 -7  26 44 o 53.51513 7.087993 157.7978       36.21632 225.5000       55.59901 107.9000       47.73167 61.53637 9.539127 40.34538 11.51804 21.19099       14.95527 
1 1 1 -7  26 45 o 23.83054 9.395973 27.36645       32.26861 -3.051000      47.89529 52.65000       43.66670 22.22968 10.09994 29.43821 11.10577 -7.208525      15.01156 
1 1 1 -7  26 46 o 30.50133 11.62538 58.74000       48.14316 58.74000       48.14316 0.000000       0.000000 30.50133 11.62538 ?        ?        ?              ?        
1 1 1 -7  26 47 o 28.85077 9.575520 50.56570       31.55499 48.14000       44.58607 53.00000       44.66502 28.52362 11.10395 29.37081 11.19682 -0.8471851     15.76916 
1 1 1 -7  26 48 o 36.14853 11.55524 88.59000       46.17433 0.000000       0.000000 88.59000       46.17433 ?        ?        36.14853 11.55524 ?              ?        
1 1 1 -7  26 49 o 32.61736 9.465489 66.11504       31.98746 39.19000       45.39444 92.67000       45.08139 26.91434 10.95941 36.96960 11.36122 -10.05526      15.78563 
1 1 1 -7  26 50 o 34.40117 9.102654 72.72741       31.12222 68.71000       44.16541 76.69000       43.86307 31.93470 11.30412 33.57075 11.29243 -1.636049      15.97818 
1 1 1 -7  26 51 o 17.84421 8.017004 -2.696287      29.20037 28.37000       41.16495 -34.16000      41.42742 24.54922 10.25776 17.68195 8.457726 6.867264       13.29492 
1 1 1 -7  26 52 o 21.15663 8.777697 18.19506       29.83517 30.71000       42.73946 6.300000       41.66756 24.78908 10.41131 21.45005 9.611598 3.339031       14.16962 
1 1 1 -7  27 1  o 79.89051 3.384100 313.9568       26.40339 338.9000       61.44022 308.3070       29.24119 82.16499 7.730230 79.11640 3.786911 3.048584       8.607970 
1 1 1 -7  27 2  o 63.02980 3.597596 195.7896       22.10330 212.2000       54.43639 192.5499       24.18686 64.56097 8.846576 62.45612 3.977042 2.104847       9.699421 
1 1 1 -7  27 3  o 52.46142 4.533827 136.4969       23.05326 236.4000       54.17432 114.4059       25.47489 68.35477 8.264485 47.82317 5.544753 20.53161       9.952186 
1 1 1 -7  27 4  o 133.1587 4.008952 872.7039       52.19295 852.6000       94.09483 881.6382       62.72734 130.7377 7.382900 133.6763 4.801781 -2.938553      8.807060 
1 1 1 -7  27 5  o 57.38579 3.687309 162.4915       20.60230 182.4000       54.15389 159.1224       22.27744 59.52943 9.621834 56.73902 4.037609 2.790417       10.43465 
1 1 1 -7  27 6  o 163.3957 4.313456 1315.104       68.92744 0.000000       0.000000 1315.104       68.92744 ?        ?        163.3957 4.313456 ?              ?        
1 1 1 -7  27 7  o 132.2507 3.894892 860.9067       50.36470 0.000000       0.000000 860.9067       50.36470 ?        ?        132.2507 3.894892 ?              ?        
1 1 1 -7  27 8  o 61.41425 3.501133 185.9423       20.95951 278.4000       59.12119 172.6515       22.41540 74.14780 8.287462 59.11876 3.895306 15.02904       9.157262 
1 1 1 -7  27 9  o 68.36730 3.350074 230.1954       22.35037 224.2000       56.67478 231.2996       24.32150 66.21021 8.975929 68.49283 3.640844 -2.282623      9.686230 
1 1 1 -7  27 10 o 116.2407 3.302856 664.4362       37.54167 717.9000       84.30186 651.2108       41.92870 119.7804 7.223844 115.0020 3.729704 4.778366       8.129859 
1 1 1 -7  27 11 o 155.9008 3.670150 1195.657       56.00648 1401.000       127.6697 1146.724       62.32346 167.0733 7.828598 152.5054 4.178975 14.56796       8.874164 
1 1 1 -7  27 12 o 56.01403 5.215383 156.5341       28.26638 182.3000       54.71540 147.1543       33.01289 59.20878 9.782294 54.04081 6.362826 5.167973       11.66957 
1 1 1 -7  27 13 o 29.48384 8.300440 45.01955       24.96413 50.00000       47.50185 43.11910       29.34303 32.89546 11.71537 29.24279 9.195042 3.652668       14.89291 
1 1 1 -7  27 14 o 83.77819 3.266243 345.6671       26.73331 198.5000       61.93784 379.3597       29.63592 61.37274 10.69914 87.73981 3.457535 -26.36708      11.24393 
1 1 1 -7  27 15 o 17.83401 6.355423 13.71790       13.98149 0.000000       0.000000 13.71790       13.98149 ?        ?        17.83401 6.355423 ?              ?        
1 1 1 -7  27 16 o 23.11749 6.420422 27.49461       15.04483 17.36000       44.99952 28.77000       15.96345 26.70093 10.89690 23.64857 6.630390 3.052366       12.75557 
1 1 1 -7  27 17 o 108.3634 3.194880 578.3103       33.85081 565.3000       74.25418 581.7235       38.03279 105.7958 7.213602 108.5959 3.582890 -2.800133      8.054387 
1 1 1 -7  27 18 o 38.90453 4.407880 75.81927       16.49016 89.84000       49.35464 74.05740       17.49559 40.69695 11.74188 38.37076 4.760271 2.326187       12.67012 
1 1 1 -7  27 19 o 97.95249 4.077260 475.1817       39.00672 387.9000       68.44039 517.1734       47.47143 86.93816 8.137138 101.9778 4.768974 -15.03966      9.431656 
1 1 1 -7  27 20 o 48.24424 4.096575 115.9581       19.16242 159.3000       51.87718 109.1101       20.62075 54.55299 10.08664 46.68528 4.571026 7.867706       11.07405 
1 1 1 -7  27 21 o 61.20982 3.991605 186.1219       23.78479 127.7000       54.30338 199.9903       26.45765 48.02105 11.66904 63.38735 4.289514 -15.36629      12.43247 
1 1 1 -7  27 22 o 101.8434 5.115006 518.3995       50.82679 522.4000       73.85518 514.8000       70.05515 101.0335 7.522063 100.4924 7.169062 0.5410309      10.39119 
1 1 1 -7  27 23 o 90.33826 5.206497 408.9395       45.84373 332.6000       64.70188 485.9000       64.96456 79.94759 8.393090 97.69813 6.836496 -17.75053      10.82505 
1 1 1 -7  27 24 o 75.85005 7.707158 297.5000       56.42740 0.000000       0.000000 297.5000       56.42740 ?        ?        75.85005 7.707158 ?              ?        
1 1 1 -7  27 25 o 121.4944 5.194984 740.0286       61.63721 624.2000       84.49049 871.8000       90.11774 109.8455 7.911121 130.5817 7.076978 -20.73615      10.61459 
1 1 1 -7  27 26 o 86.21839 5.354224 374.2222       44.96290 378.3000       66.56313 370.8000       60.97765 85.21177 8.076884 84.75114 7.425477 0.4606323      10.97150 
1 1 1 -7  27 27 o 88.23399 5.313364 392.3664       45.67669 367.4000       66.87357 414.2000       62.53742 83.67850 8.272726 89.60936 7.190145 -5.930855      10.96067 
1 1 1 -7  27 28 o 51.12094 7.279340 136.7538       35.39679 146.6000       53.32892 129.0000       47.32450 51.02401 11.00190 48.13513 10.35195 2.888885       15.10644 
1 1 1 -7  27 29 o 120.5785 5.106601 732.4159       60.13447 699.4000       86.21185 763.7000       83.92040 115.8019 7.648633 121.5538 7.084004 -5.751907      10.42520 
1 1 1 -7  27 30 o 36.23769 8.914742 72.66536       31.40014 87.58000       48.96796 62.25000       40.92068 38.71614 11.83011 33.38407 10.89586 5.332073       16.08326 
1 1 1 -7  27 31 o 57.77961 6.245899 173.1378       34.76365 182.8000       52.51303 165.6000       46.38223 57.25629 9.716972 54.96018 8.927889 2.296108       13.19571 
1 1 1 -7  27 32 o 51.22549 6.889235 138.7730       33.66834 101.8000       49.84327 169.8000       45.65977 41.03149 11.78800 55.62021 8.669298 -14.58872      14.63262 
1 1 1 -7  27 33 o 56.46022 6.443185 167.3739       34.97150 155.2000       53.94367 176.2000       45.93125 51.14357 11.09534 56.55891 8.564349 -5.415340      14.01622 
1 1 1 -7  27 34 o 33.45077 9.293324 64.24620       31.51553 30.73000       48.28617 89.12000       41.59742 27.53082 11.26788 38.65867 10.65259 -11.12784      15.50622 
1 1 1 -7  27 35 o 41.64417 11.38051 106.7000       47.70179 106.7000       47.70179 0.000000       0.000000 41.64417 11.38051 ?        ?        ?              ?        
1 1 1 -7  27 36 o 29.41361 9.351159 49.47426       30.27250 65.84000       44.09978 34.89000       41.63042 33.07865 11.32069 27.08530 10.67443 5.993353       15.55961 
1 1 1 -7  27 37 o 19.93899 9.138820 -14.77000      40.33601 0.000000       0.000000 -14.77000      40.33601 ?        ?        19.93899 9.138820 ?              ?        
1 1 1 -7  27 38 o 18.39105 8.222475 -4.815547      30.31091 2.061000       45.88379 -10.14000      40.37490 22.91584 10.18921 20.35247 9.257261 2.563375       13.76651 
1 1 1 -7  27 39 o 43.22322 8.260894 105.7760       33.67658 125.9000       50.68497 89.87000       45.06125 44.46785 11.54449 37.60769 11.31882 6.860161       16.16759 
1 1 1 -7  27 40 o 52.13683 7.073884 148.1293       35.16976 191.8000       53.78089 115.5000       46.48753 56.72697 10.05374 42.87609 11.01794 13.85089       14.91552 
1 1 1 -7  27 41 o 19.03019 8.390813 0.6739838      30.48482 22.85000       47.20606 -15.19000      39.92658 25.32141 10.80141 19.46356 8.983068 5.857849       14.04870 
1 1 1 -7  27 42 o 20.32104 8.715164 8.613599       31.03344 11.27000       46.89577 6.544000       41.39329 23.70826 10.43204 22.17180 9.776691 1.536467       14.29724 
1 1 1 -7  27 43 o 34.37611 9.457770 72.21944       32.81821 5.356000       48.13459 130.3000       44.86197 23.15199 10.35562 45.79550 10.26276 -22.64352      14.57954 
1 1 1 -7  27 44 o 15.97050 7.530920 -23.77767      30.60803 -48.83000      46.64342 -4.831000      40.56326 18.10854 8.741575 20.56537 9.324375 -2.456831      12.78120 
1 1 1 -7  27 45 o 19.83416 9.306434 -23.17000      45.72674 -23.17000      45.72674 0.000000       0.000000 19.83416 9.306434 ?        ?        ?              ?        
1 1 1 -7  27 46 o 43.78326 8.119523 110.6188       33.51628 126.9000       48.04944 95.19000       46.77462 44.03238 11.14130 37.46614 11.58304 6.566238       16.07158 
1 1 1 -7  27 47 o 38.13533 11.60489 99.01000       47.18511 0.000000       0.000000 99.01000       47.18511 ?        ?        38.13533 11.60489 ?              ?        
1 1 1 -7  27 48 o 47.25827 7.649942 127.1599       34.17828 108.2000       48.34804 146.1000       48.32273 39.64789 11.67399 47.74796 10.61426 -8.100067      15.77798 
1 1 1 -7  27 49 o 22.39525 8.949897 23.35412       29.65524 25.02000       42.34055 21.75000       41.54835 24.37327 10.30642 23.80506 10.14336 0.5682106      14.46064 
1 1 1 -7  27 50 o 24.62076 9.241977 34.41528       30.15705 11.91000       42.15769 58.00000       43.15687 22.40474 9.873495 29.61941 11.06876 -7.214674      14.83251 
1 1 1 -7  27 51 o 18.96136 8.316251 5.288526       29.58229 -34.11000      41.23245 47.08000       42.46616 17.50237 8.389446 27.35329 10.78074 -9.850920      13.66042 
1 1 1 -7  28 1  o 75.10294 3.389388 277.7724       24.85214 296.3000       57.98836 273.6037       27.50627 76.57481 7.847464 74.47889 3.785463 2.095924       8.712773 
1 1 1 -7  28 2  o 59.56232 4.194325 175.6019       24.29708 241.3000       53.61644 158.6236       27.25640 68.94985 8.098567 56.45921 4.983147 12.49064       9.508866 
1 1 1 -7  28 3  o 88.15757 3.790713 383.0959       32.63403 439.9000       65.41956 364.2778       37.65351 93.64680 7.191923 85.83498 4.497308 7.811829       8.482307 
1 1 1 -7  28 4  o 149.8398 3.613421 1104.282       52.99707 1122.000       111.4343 1099.103       60.24675 149.5813 7.636157 149.3203 4.125961 0.2610168      8.679542 
1 1 1 -7  28 5  f 78.51863 5.025634 305.9018       38.42233 0.000000       0.000000 305.9018       38.42233 ?        ?        78.51863 5.025634 ?              ?        
1 1 1 -7  28 6  o 47.59969 4.313160 112.6025       19.87793 0.000000       0.000000 112.6025       19.87793 ?        ?        47.59969 4.313160 ?              ?        
1 1 1 -7  28 7  o 88.32277 3.552300 384.3704       30.64797 0.000000       0.000000 384.3704       30.64797 ?        ?        88.32277 3.552300 ?              ?        
1 1 1 -7  28 8  o 49.79984 3.796626 122.8084       18.36733 116.9000       49.89118 123.7347       19.75476 46.80112 11.06612 49.94417 4.076349 -3.143051      11.79303 
1 1 1 -7  28 9  o 69.21046 3.363807 236.1380       22.71990 276.8000       56.65697 228.3463       24.80137 73.79723 7.969716 67.99780 3.740684 5.799431       8.803924 
1 1 1 -7  28 10 o 63.20829 3.489097 197.2020       21.50331 206.3000       54.93301 195.5556       23.36805 63.16059 9.151818 62.89130 3.813923 0.2692947      9.914725 
1 1 1 -7  28 11 o 108.4680 3.268641 579.2427       34.66406 590.3000       76.87904 576.4211       38.83584 108.2392 7.299015 108.1188 3.674998 0.1203766      8.171978 
1 1 1 -7  28 12 f 19.09955 6.370728 17.27743       13.96387 26.99000       46.45150 16.31254       14.64107 28.53477 11.26632 18.90662 6.521036 9.628153       13.01744 
1 1 1 -7  28 13 o 84.42070 4.150796 352.7106       34.19424 269.4000       60.84821 391.1633       41.33911 72.31179 8.776148 88.75821 4.775828 -16.44642      9.991462 
1 1 1 -7  28 14 o 87.33357 4.139620 377.5615       35.28661 312.9000       63.05143 407.0498       42.57912 78.09466 8.379237 90.50687 4.823701 -12.41222      9.668490 
1 1 1 -7  28 15 o 109.2151 3.687021 588.9763       39.35875 521.1000       75.25754 614.5313       46.17727 101.2404 7.650970 111.4035 4.242458 -10.16312      8.748474 
1 1 1 -7  28 16 o 31.70982 5.448986 51.44061       16.30347 0.000000       0.000000 51.44061       16.30347 ?        ?        31.70982 5.448986 ?              ?        
1 1 1 -7  28 17 o 58.28080 3.955554 168.6693       22.43148 174.9000       53.10056 167.3159       24.74806 57.35796 9.810334 57.94759 4.395939 -0.5896339     10.75021 
1 1 1 -7  28 18 o 48.02160 4.197106 115.0378       19.53036 140.4000       52.66117 110.9930       21.03012 50.73423 10.92745 47.06784 4.624325 3.666393       11.86565 
1 1 1 -7  28 19 o 32.33676 5.425811 53.56422       16.56613 24.84000       48.99295 57.27234       17.60297 28.29630 11.43536 33.42404 5.576854 -5.127747      12.72277 
1 1 1 -7  28 20 o 92.47419 3.622972 423.1972       32.73034 424.4000       67.68340 422.8300       37.39327 90.88545 7.680008 92.27522 4.150642 -1.389763      8.729855 
1 1 1 -7  28 21 o 26.74873 6.319489 37.48900       16.28115 35.20000       47.37554 37.79554       17.33709 29.52235 11.45909 26.81826 6.640004 2.704088       13.24389 
1 1 1 -7  28 22 o 78.78024 7.486073 320.0000       57.03392 0.000000       0.000000 320.0000       57.03392 ?        ?        78.78024 7.486073 ?              ?        
1 1 1 -7  28 23 o 112.9021 7.094547 652.7000       78.00671 0.000000       0.000000 652.7000       78.00671 ?        ?        112.9021 7.094547 ?              ?        
1 1 1 -7  28 24 o 45.32988 8.064519 108.9244       34.47083 104.6000       50.85514 112.6000       46.88479 42.92597 11.75869 44.92096 10.79709 -1.994991      15.96384 
1 1 1 -7  28 25 o 58.57520 6.569764 176.5788       37.01937 164.4000       54.80262 186.8000       50.20552 54.43111 10.66763 59.08849 8.961251 -4.657379      13.93206 
1 1 1 -7  28 26 o 29.95680 9.780718 47.59388       32.97181 37.50000       50.22259 55.24000       43.71098 29.91672 11.74435 32.37923 11.26230 -2.462509      16.27173 
1 1 1 -7  28 27 o 52.94480 7.165410 146.6470       36.18161 63.23000       51.28664 229.3000       51.05122 34.28123 12.17685 65.85593 8.089368 -31.57469      14.61894 
1 1 1 -7  28 28 o 27.27064 9.516715 37.89492       31.22504 65.72000       47.12048 16.11000       41.69360 34.31462 11.70300 24.87633 10.35339 9.438286       15.62539 
1 1 1 -7  28 29 o 52.56220 6.798750 144.8347       34.16052 84.33000       50.65601 195.3000       46.26287 37.80524 12.10493 60.41879 8.020593 -22.61354      14.52099 
1 1 1 -7  28 30 o 35.86784 8.893047 72.06940       31.06649 72.23000       47.57342 71.95000       41.02058 35.16513 11.75954 35.19640 10.84127 -0.3126907E-01 15.99437 
1 1 1 -7  28 31 o 67.48199 5.700387 234.9375       37.30106 272.7000       56.41197 205.6000       49.72237 70.80640 8.296559 61.22231 8.528471 9.584091       11.89822 
1 1 1 -7  28 32 o 31.75956 9.326257 57.57906       30.89213 55.46000       47.79067 59.10000       40.48802 31.57569 11.67674 32.01646 10.84919 -0.4407730     15.93899 
1 1 1 -7  28 33 o 60.79871 6.174109 193.6037       36.23401 148.8000       51.47720 237.6000       51.01125 49.96593 10.83780 65.96421 8.068186 -15.99828      13.51124 
1 1 1 -7  28 34 o 30.81925 11.29413 53.91000       44.54218 53.91000       44.54218 0.000000       0.000000 30.81925 11.29413 ?        ?        ?              ?        
1 1 1 -7  28 35 o 41.80204 8.089681 97.48223       31.90386 102.3000       46.14396 93.07000       44.15919 40.67352 11.22429 38.88248 11.07151 1.791039       15.76588 
1 1 1 -7  28 36 o 39.40826 11.10127 96.38000       44.63958 0.000000       0.000000 96.38000       44.63958 ?        ?        39.40826 11.10127 ?              ?        
1 1 1 -7  28 37 o 39.82617 8.469584 90.54683       32.00014 105.7000       46.68704 77.12000       43.94720 40.94253 11.28688 35.05091 11.27998 5.891617       15.95718 
1 1 1 -7  28 38 o 24.32538 9.269433 29.34038       30.60320 43.80000       45.19860 17.10000       41.58570 28.48863 11.15400 23.89430 10.16350 4.594330       15.09001 
1 1 1 -7  28 39 o 17.96770 8.137395 -8.062757      30.78832 -21.00000      46.85895 1.765000       40.84124 20.55239 9.570136 21.64584 9.619443 -1.093451      13.56913 
1 1 1 -7  28 40 o 20.97598 8.811772 12.96883       30.62631 20.06000       46.32516 7.463000       40.81964 24.75083 10.63205 22.20686 9.753393 2.543970       14.42807 
1 1 1 -7  28 41 f 22.42634 9.092000 20.90421       31.08261 -10.47000      46.09785 47.06000       42.08993 21.15989 9.724729 28.38604 10.85754 -7.226154      14.57589 
1 1 1 -7  28 42 o 24.59837 9.418181 31.66998       31.69106 62.08000       48.27689 8.643000       42.00969 31.10569 11.68975 22.44581 9.875195 8.659874       15.30261 
1 1 1 -7  28 43 o 25.91438 9.531509 37.97773       31.77052 -7.818000      47.40495 75.32000       42.80669 21.57804 9.896473 33.81342 11.15011 -12.23538      14.90856 
1 1 1 -7  28 44 o 23.82475 10.43342 14.75000       46.40407 14.75000       46.40407 0.000000       0.000000 23.82475 10.43342 ?        ?        ?              ?        
1 1 1 -7  28 45 o 23.02994 9.136518 25.10144       30.68469 16.32000       43.84657 33.53000       42.95652 23.59467 10.23991 25.93097 10.62216 -2.336298      14.75419 
1 1 1 -7  28 46 o 27.02942 10.90567 40.01000       44.47908 0.000000       0.000000 40.01000       44.47908 ?        ?        27.02942 10.90567 ?              ?        
1 1 1 -7  28 47 o 17.81202 8.069542 -5.906728      30.30691 -25.00000      42.64897 13.57000       43.07510 18.83978 8.885680 22.97287 10.05649 -4.133091      13.41970 
1 1 1 -7  28 48 o 22.72841 8.978451 25.21160       29.51496 43.58000       41.84753 7.030000       41.63420 27.22732 10.71084 21.86102 9.713879 5.366299       14.45965 
1 1 1 -7  28 49 o 17.36670 7.885386 -5.959571      29.13655 19.65000       41.31457 -31.30000      41.09690 23.26481 10.01773 17.80587 8.491370 5.458935       13.13234 
1 1 1 -7  28 50 o 23.86204 9.202525 31.80045       30.40808 57.44000       42.84054 5.767000       43.16836 29.15468 10.99990 21.60743 9.724333 7.547251       14.68198 
1 1 1 -7  28 51 o 21.96635 8.920370 23.32847       29.97799 -19.17000      41.85827 68.08000       42.95351 18.73104 8.824731 30.87132 11.12309 -12.14029      14.19856 
1 1 1 -7  29 1  o 115.1189 3.894031 653.8704       43.81537 603.1000       77.55371 677.6734       53.10228 109.4499 7.280430 116.9991 4.646102 -7.549232      8.636604 
1 1 1 -7  29 2  o 87.52495 3.230355 377.2465       27.62756 435.4000       64.53445 364.1967       30.57063 92.96763 7.146559 85.92333 3.643123 7.044296       8.021574 
1 1 1 -7  29 3  o 93.44300 3.247474 429.9630       29.65774 433.7000       65.40475 428.9958       33.27537 92.73145 7.263622 93.26240 3.652166 -0.5309448     8.130100 
1 1 1 -7  29 4  o 52.95548 4.169501 139.2140       21.43809 0.000000       0.000000 139.2140       21.43809 ?        ?        52.95548 4.169501 ?              ?        
1 1 1 -7  29 5  o 58.66684 3.949914 170.4696       22.55008 0.000000       0.000000 170.4696       22.55008 ?        ?        58.66684 3.949914 ?              ?        
1 1 1 -7  29 6  o 80.17173 3.243079 316.7162       25.39731 326.9000       59.47216 314.4447       28.08722 80.23708 7.665450 79.81973 3.604243 0.4173431      8.470519 
1 1 1 -7  29 7  o 53.61401 3.776616 142.3797       19.69245 190.7000       51.72644 134.1894       21.29611 60.62400 8.988762 51.96218 4.223420 8.661819       9.931521 
1 1 1 -7  29 8  o 123.5524 3.360805 752.0029       40.60664 779.0000       87.95349 744.6896       45.77743 124.2868 7.261352 122.8350 3.811966 1.451820       8.201117 
1 1 1 -7  29 9  o 81.40322 3.223867 326.6024       25.63688 491.9000       66.98515 298.2346       27.74968 98.75853 6.974288 77.70203 3.658818 21.05650       7.875762 
1 1 1 -7  29 10 o 34.84136 4.819048 61.26377       15.99517 47.17000       46.92908 63.11624       17.01392 32.02002 11.61426 35.31940 5.066214 -3.299377      12.67113 
1 1 1 -7  29 11 o 70.47242 3.363293 245.1898       23.13315 262.1000       57.88339 241.9754       25.23615 71.29023 8.459760 69.94421 3.699236 1.346016       9.233194 
1 1 1 -7  29 12 o 45.87842 4.050107 104.8127       18.00126 55.28000       48.87273 112.5874       19.36254 33.64998 11.89314 47.53116 4.205102 -13.88118      12.61466 
1 1 1 -7  29 13 o 50.47902 3.723366 126.4695       18.26777 136.0000       50.30474 125.0217       19.60621 50.15608 10.57996 50.12801 4.029755 0.2806473E-01  11.32142 
1 1 1 -7  29 14 o 67.92669 4.583807 229.9503       30.29858 257.5000       56.27355 218.7035       35.95506 70.52315 8.311487 65.93719 5.624523 4.585960       10.03574 
1 1 1 -7  29 15 o 57.13528 3.550596 161.7437       19.75879 160.7000       52.36792 161.9170       21.33575 54.69696 10.15505 57.10720 3.839209 -2.410233      10.85655 
1 1 1 -7  29 16 o 95.72931 3.639641 453.3470       34.04222 376.8000       66.63562 480.3803       39.59976 85.47298 8.059896 98.39950 4.120554 -12.92652      9.052120 
1 1 1 -7  29 17 o 47.75779 4.216264 113.9270       19.50740 90.83000       49.68387 118.1365       21.21070 40.46700 11.81209 48.56846 4.513281 -8.101463      12.64496 
1 1 1 -7  29 18 o 46.81227 4.763831 110.1895       21.52464 0.000000       0.000000 110.1895       21.52464 ?        ?        46.81227 4.763831 ?              ?        
1 1 1 -7  29 19 o 100.7407 4.983731 507.7731       48.99091 397.4000       69.65878 615.8000       68.91443 87.43282 8.236489 110.1921 6.417068 -22.75931      10.44119 
1 1 1 -7  29 20 o 66.50596 3.435738 219.1755       22.29011 216.8000       55.05792 219.6412       24.37719 63.89808 9.056349 66.49583 3.760596 -2.597752      9.806097 
1 1 1 -7  29 21 o 103.2446 3.582728 528.0891       36.15171 0.000000       0.000000 528.0891       36.15171 ?        ?        103.2446 3.582728 ?              ?        
1 1 1 -7  29 22 o 105.6408 5.268411 561.0259       54.30564 468.1000       76.76920 654.1000       76.83038 94.57140 8.379823 112.9815 6.981457 -18.41009      10.90698 
1 1 1 -7  29 23 o 65.82350 6.121273 221.2562       38.98729 173.1000       56.11296 266.2000       54.20903 55.85845 10.65149 71.31311 7.898222 -15.45466      13.26032 
1 1 1 -7  29 24 o 60.10765 6.546769 186.2005       37.89620 139.4000       55.31366 227.6000       52.02412 49.32462 11.64477 65.58558 8.288608 -16.26096      14.29341 
1 1 1 -7  29 25 o 78.11709 5.562216 309.6689       42.25223 315.9000       62.42201 304.4000       57.40066 77.20420 8.395228 76.16042 7.810365 1.043777       11.46655 
1 1 1 -7  29 26 o 73.01902 5.700352 272.0356       40.41951 216.3000       58.21869 323.9000       56.16049 62.62577 9.819970 78.66956 7.379344 -16.04378      12.28359 
1 1 1 -7  29 27 o 62.28839 6.118233 200.2041       36.82181 154.0000       54.27705 239.6000       50.11895 51.64260 11.07008 67.18720 7.763603 -15.54460      13.52111 
1 1 1 -7  29 28 o 31.29069 9.467884 54.86322       31.46873 23.29000       47.24568 80.04000       42.18934 26.68000 11.05545 37.00185 10.90785 -10.32185      15.53075 
1 1 1 -7  29 29 o 51.59840 6.899112 141.1227       33.97222 126.7000       50.55255 153.0000       45.87524 46.03832 11.30272 52.22001 9.316815 -6.181690      14.64768 
1 1 1 -7  29 30 o 64.61277 5.807225 216.3186       36.33626 275.7000       56.88924 175.4000       47.22430 71.03163 8.340984 56.11696 8.893571 14.91467       12.19293 
1 1 1 -7  29 31 o 63.06588 6.050182 207.5176       36.89060 147.7000       55.35895 255.3000       49.47747 49.10189 11.68758 68.94955 7.449237 -19.84766      13.85968 
1 1 1 -7  29 32 o 37.03368 11.56299 85.02000       46.48502 85.02000       46.48502 0.000000       0.000000 37.03368 11.56299 ?        ?        ?              ?        
1 1 1 -7  29 33 o 46.80000 7.641390 120.0961       33.79775 164.4000       47.92460 76.26000       47.67088 53.45587 9.507645 35.05868 11.77222 18.39719       15.13210 
1 1 1 -7  29 34 o 27.08385 9.581634 40.16580       31.72759 44.52000       45.74603 36.13000       44.04166 29.02563 11.26196 27.46060 10.92913 1.565027       15.69323 
1 1 1 -7  29 35 o 30.52139 11.23517 54.26000       44.15768 0.000000       0.000000 54.26000       44.15768 ?        ?        30.52139 11.23517 ?              ?        
1 1 1 -7  29 36 o 24.18214 9.208871 28.66977       30.19226 41.02000       43.99991 17.68000       41.50576 28.01359 10.99408 24.03057 10.18485 3.983023       14.98669 
1 1 1 -7  29 37 o 21.31965 8.750643 15.68818       29.22684 -19.90000      42.43344 47.81000       40.31395 19.69639 9.149626 28.85309 10.71441 -9.156698      14.08951 
1 1 1 -7  29 38 o 52.22500 6.879280 148.5814       34.31205 110.2000       49.82568 183.2000       47.32035 40.83015 11.80307 56.29268 8.882131 -15.46254      14.77176 
1 1 1 -7  29 39 o 29.25084 9.586020 51.62891       31.65859 68.91000       47.47451 37.79000       42.48404 32.46953 11.69448 26.82497 10.71490 5.644556       15.86095 
1 1 1 -7  29 40 o 31.20090 9.561266 59.75006       31.95683 55.94000       47.37976 62.93000       43.28488 30.02543 11.51087 31.31189 11.17980 -1.286459      16.04643 
1 1 1 -7  29 41 o 30.74207 9.582050 58.01652       31.93660 60.61000       47.70401 55.91000       42.99283 30.80766 11.61103 29.93724 11.07434 0.8704205      16.04547 
1 1 1 -7  29 42 o 26.74891 9.572715 41.91994       31.75381 23.12000       47.75476 56.82000       42.51406 25.03908 10.77586 29.99057 11.02676 -4.951488      15.41780 
1 1 1 -7  29 43 o 34.13863 11.81974 79.98000       48.11928 79.98000       48.11928 0.000000       0.000000 34.13863 11.81974 ?        ?        ?              ?        
1 1 1 -7  29 44 o 14.99405 7.171329 -30.49395      29.76799 -81.06000      42.10289 20.05000       42.09369 15.01672 7.456149 23.79435 10.17621 -8.777625      12.61544 
1 1 1 -7  29 45 o 48.41135 10.81251 151.1000       49.94129 0.000000       0.000000 151.1000       49.94129 ?        ?        48.41135 10.81251 ?              ?        
1 1 1 -7  29 46 o 32.88264 9.479943 67.71815       32.18263 57.02000       45.71433 78.23000       45.31452 29.69678 11.32601 33.71821 11.47698 -4.021435      16.12450 
1 1 1 -7  29 47 o 32.87782 9.286582 67.43778       31.19497 69.83000       43.90973 65.00000       44.32592 32.02768 11.27719 31.06513 11.28471 0.9625473      15.95367 
1 1 1 -7  29 48 o 27.50169 9.365960 46.98290       30.17831 53.21000       42.49995 40.65000       42.85947 28.64408 10.92152 26.50301 10.70100 2.141075       15.29023 
1 1 1 -7  29 49 o 18.09901 8.078757 0.3745312      29.13498 -26.31000      40.39717 29.30000       42.05923 17.90205 8.503545 24.43751 10.29963 -6.535465      13.35637 
1 1 1 -7  29 50 o 25.82471 9.420388 41.62092       30.93520 47.73000       43.63924 35.45000       43.85954 27.14434 10.85384 25.25883 10.57362 1.885511       15.15279 
1 1 1 -7  30 1  o 64.88406 3.987841 208.6609       25.20454 213.0000       52.79712 207.3801       28.68408 64.13060 8.629643 64.55765 4.568796 -0.4270477     9.764458 
1 1 1 -7  30 2  o 87.41628 3.287024 376.8185       28.07548 414.0000       65.20801 368.3574       31.10630 90.27888 7.445311 86.34368 3.689042 3.935204       8.309133 
1 1 1 -7  30 3  o 94.76391 3.683982 443.5936       34.10661 0.000000       0.000000 443.5936       34.10661 ?        ?        94.76391 3.683982 ?              ?        
1 1 1 -7  30 4  o 103.4473 3.290703 527.5690       33.27829 548.8000       74.10450 522.2059       37.24507 104.0449 7.323196 102.8193 3.706801 1.225601       8.207897 
1 1 1 -7  30 5  o 57.49049 3.738700 163.7676       20.92478 152.9000       51.75155 165.8915       22.87830 53.49620 10.25623 57.79860 4.069918 -4.302395      11.03424 
1 1 1 -7  30 6  o 59.85617 3.607094 177.3496       21.03549 222.9000       53.68566 169.0880       22.86369 65.56779 8.569823 58.35818 4.027262 7.209602       9.468934 
1 1 1 -7  30 7  o 88.74275 3.243501 388.4503       28.12690 475.0000       67.56873 370.3093       30.93450 96.73695 7.187223 86.55051 3.659725 10.18643       8.065344 
1 1 1 -7  30 8  o 97.92522 4.001787 474.8951       38.27708 528.7000       72.01751 453.7117       45.18815 101.9958 7.261042 95.44845 4.852627 6.547348       8.733311 
1 1 1 -7  30 9  o 30.84661 5.280613 48.68101       15.37104 73.52000       46.87045 45.68766       16.27089 37.00540 11.61915 29.74386 5.797067 7.261534       12.98501 
1 1 1 -7  30 10 o 44.85398 3.981955 100.2731       17.30101 121.0000       48.98468 97.31897       18.49286 47.05193 10.85666 44.10825 4.339422 2.943684       11.69178 
1 1 1 -7  30 11 f 121.5353 3.368932 729.1125       40.03888 715.8000       85.09163 732.8982       45.37603 118.5316 7.370564 121.7052 3.813709 -3.173599      8.298771 
1 1 1 -7  30 12 o 45.67505 4.165524 104.1801       18.41850 41.85000       48.79705 114.5356       19.88975 30.99637 11.72967 47.88091 4.289247 -16.88455      12.48931 
1 1 1 -7  30 13 o 36.42080 4.734516 67.03026       16.47930 -2.841000      47.56514 76.56112       17.56732 24.19339 10.57976 38.97021 4.700202 -14.77682      11.57684 
1 1 1 -7  30 14 o 54.44239 5.424391 149.6265       28.52216 148.0000       50.93851 150.3694       34.42470 52.19278 10.33654 54.18024 6.629095 -1.987461      12.27962 
1 1 1 -7  30 15 o 58.98692 5.132576 175.0344       29.33974 214.6000       53.45351 157.9748       35.09961 63.82424 8.789403 55.52865 6.585809 8.295589       10.98301 
1 1 1 -7  30 16 o 58.20696 3.557014 168.1248       20.16918 87.20000       51.64932 182.6856       21.90868 39.49932 12.16469 60.64861 3.708260 -21.14929      12.71734 
1 1 1 -7  30 17 o 87.72454 4.294438 383.3336       36.76308 359.4000       64.98173 394.6000       44.58399 83.11377 8.089767 88.66709 5.159295 -5.553322      9.594928 
1 1 1 -7  30 18 o 41.58461 4.306995 86.86568       17.27776 32.03000       48.49472 94.83835       18.49118 29.01548 11.49399 43.44370 4.409437 -14.42822      12.31077 
1 1 1 -7  30 19 o 122.2888 3.365368 739.8135       40.24504 635.2000       83.46284 771.5056       45.93837 110.7781 7.746016 124.7144 3.767482 -13.93626      8.613633 
1 1 1 -7  30 20 o 118.3047 3.710489 694.3948       42.91429 0.000000       0.000000 694.3948       42.91429 ?        ?        118.3047 3.710489 ?              ?        
1 1 1 -7  30 21 o 54.01785 4.009462 145.8065       21.04854 115.4000       52.51134 151.6271       22.97502 44.77287 11.81299 55.00711 4.301259 -10.23423      12.57170 
1 1 1 -7  30 22 o 70.89489 5.955782 256.4047       40.94774 185.3000       57.13433 331.5000       58.71575 57.76391 10.49125 79.68981 7.620112 -21.92590      12.96659 
1 1 1 -7  30 23 o 78.23081 5.533637 310.6719       42.10009 286.0000       60.59169 333.7000       58.53843 73.21940 8.619293 79.87339 7.578083 -6.653992      11.47691 
1 1 1 -7  30 24 o 32.93190 9.598259 60.39297       32.82725 47.42000       48.86934 71.06000       44.31376 31.02647 11.73896 35.32811 11.32284 -4.301645      16.30981 
1 1 1 -7  30 25 o 90.22166 5.194922 412.8850       45.68314 368.3000       65.91314 454.1000       63.37313 83.04842 8.215936 93.33392 6.987524 -10.28550      10.78550 
1 1 1 -7  30 26 o 37.40071 8.911476 78.27234       32.15789 40.10000       49.32125 106.5000       42.41282 29.50852 11.62197 43.02138 10.22343 -13.51286      15.47866 
1 1 1 -7  30 27 o 48.52983 7.300608 126.1354       33.60630 125.8000       50.60710 126.4000       44.94764 45.85368 11.33951 46.84603 10.09993 -0.9923553     15.18530 
1 1 1 -7  30 28 o 27.10988 9.371637 39.49463       30.24574 6.101000       46.00848 64.91000       40.13787 23.84589 10.41698 33.26656 10.78640 -9.420670      14.99533 
1 1 1 -7  30 29 o 77.82648 5.332584 311.1095       40.37746 309.3000       61.25256 312.5000       53.69551 74.98763 8.494474 76.50224 7.257432 -1.514618      11.17257 
1 1 1 -7  30 30 o 47.96006 7.283313 124.4752       33.11770 111.2000       50.06981 134.8000       44.15656 42.23285 11.70644 48.28557 9.680016 -6.052723      15.19024 
1 1 1 -7  30 31 o 32.49789 11.77740 62.82000       48.24295 62.82000       48.24295 0.000000       0.000000 32.49789 11.77740 ?        ?        ?              ?        
1 1 1 -7  30 32 o 60.82343 6.269174 195.3018       36.78988 177.6000       53.22249 211.5000       50.91190 54.80279 10.29974 61.34951 8.723763 -6.546719      13.49773 
1 1 1 -7  30 33 o 37.00315 11.50801 86.48000       46.09291 0.000000       0.000000 86.48000       46.09291 ?        ?        37.00315 11.50801 ?              ?        
1 1 1 -7  30 34 o 36.72214 9.213655 79.43317       33.05937 70.42000       47.81169 87.69000       45.76167 33.44374 11.76827 37.06710 11.45647 -3.623352      16.42385 
1 1 1 -7  30 35 o 23.27022 9.152800 24.40016       30.55442 82.40000       45.12605 -24.70000      41.51981 35.84098 11.41966 19.03672 8.911611 16.80426       14.48535 
1 1 1 -7  30 36 o 56.39367 6.435927 170.5135       34.89085 167.0000       50.59332 173.7000       48.18122 52.58873 10.19677 54.44334 9.379716 -1.854614      13.85472 
1 1 1 -7  30 37 o 44.72878 7.850226 113.1009       33.11666 120.9000       48.52200 106.3000       45.31079 43.16480 11.33957 40.60983 11.08909 2.554966       15.86045 
1 1 1 -7  30 38 o 34.30309 9.229284 71.32298       31.66397 68.95000       45.99916 73.46000       43.65219 32.44477 11.53131 33.47501 11.26528 -1.030239      16.12072 
1 1 1 -7  30 39 o 27.74971 9.549150 46.06901       31.38947 31.95000       46.67214 57.73000       42.41539 26.14505 10.92332 30.21388 11.02930 -4.068832      15.52302 
1 1 1 -7  30 40 o 29.22903 9.607601 52.08775       31.79149 69.53000       47.46832 37.90000       42.81137 32.36591 11.68892 26.71404 10.72693 5.651878       15.86499 
1 1 1 -7  30 41 o 18.67621 8.328328 -1.060584      30.88463 16.87000       45.55688 -16.31000      42.01296 23.88559 10.40115 19.56962 9.095321 4.315969       13.81698 
1 1 1 -7  30 42 o 40.81640 11.57941 113.3000       48.39276 113.3000       48.39276 0.000000       0.000000 40.81640 11.57941 ?        ?        ?              ?        
1 1 1 -7  30 43 o 20.82936 8.767076 13.82071       30.40848 26.03000       43.57505 2.231000       42.45499 24.77399 10.46472 21.55322 9.676428 3.220779       14.25284 
1 1 1 -7  30 44 o 27.87777 9.704058 47.49725       32.45536 54.07000       46.92585 41.47000       44.93637 29.28493 11.39405 27.15806 10.96016 2.126877       15.80978 
1 1 1 -7  30 45 o 19.30931 8.442997 5.138125       30.28466 34.81000       43.11094 -23.77000      42.55249 25.85656 10.62193 18.86629 8.891269 6.990267       13.85208 
1 1 1 -7  30 46 o 23.17857 9.087849 27.52722       30.04022 -10.11000      41.48227 69.03000       43.56046 19.84645 9.158576 31.78741 11.22879 -11.94096      14.49018 
1 1 1 -7  30 47 o 43.97099 7.912328 113.1850       32.80260 128.1000       46.10079 97.89000       46.68449 43.70153 10.83204 37.00058 11.59299 6.700951       15.86602 
1 1 1 -7  30 48 o 29.62604 9.405763 56.62527       30.63596 63.77000       42.81621 49.13000       43.85400 30.20000 11.07217 27.56141 10.92631 2.638582       15.55562 
1 1 1 -7  30 49 o 40.05985 8.718757 99.59779       33.21470 93.68000       46.43105 105.8000       47.53371 35.38184 11.60983 37.66314 11.68215 -2.281303      16.46999 
1 1 1 -7  31 1  o 49.54059 4.574357 122.8402       21.93146 0.000000       0.000000 122.8402       21.93146 ?        ?        49.54059 4.574357 ?              ?        
1 1 1 -7  31 2  o 82.32788 4.307662 336.8687       34.59245 0.000000       0.000000 336.8687       34.59245 ?        ?        82.32788 4.307662 ?              ?        
1 1 1 -7  31 3  o 90.58442 3.708157 406.0957       32.80943 377.0000       64.95298 416.0626       38.01587 85.64350 7.834857 91.53147 4.254791 -5.887970      8.915618 
1 1 1 -7  31 4  o 140.8801 4.239417 984.4450       58.39389 1073.000       107.0330 946.9169       69.67697 145.0114 7.566839 137.7163 5.178118 7.295120       9.168967 
1 1 1 -7  31 5  o 46.64442 4.173902 108.6191       18.85553 188.4000       51.55307 96.29846       20.25922 59.76207 9.099836 43.75150 4.809920 16.01057       10.29283 
1 1 1 -7  31 6  o 46.14950 4.209986 106.3991       18.80833 133.4000       50.44844 102.0402       20.26973 49.39371 10.74116 45.08257 4.660504 4.311142       11.70867 
1 1 1 -7  31 7  o 60.58003 3.528404 181.8403       20.83196 205.1000       53.43338 177.6712       22.62203 62.38970 9.010440 59.80113 3.885742 2.588570       9.812594 
1 1 1 -7  31 8  o 57.32352 5.118879 165.1721       28.42005 250.9000       54.50959 133.1687       33.30501 69.49207 8.169543 50.87152 6.863434 18.62054       10.66997 
1 1 1 -7  31 9  o 41.73807 4.268587 87.29311       17.19372 126.1000       47.25605 81.37199       18.45888 48.07060 10.34964 40.15980 4.790099 7.910801       11.40439 
1 1 1 -7  31 10 f 44.55297 6.228816 101.8022       26.42233 137.9000       48.42272 86.49731       31.52997 50.35865 10.17414 40.33582 8.264030 10.02283       13.10753 
1 1 1 -7  31 11 o 79.12893 3.321804 309.6687       25.67134 327.1000       60.25619 305.8032       28.37534 79.49454 7.846063 78.53380 3.701708 0.9607391      8.675446 
1 1 1 -7  31 12 o 69.78291 3.430863 241.1856       23.36282 226.2000       56.10219 244.3296       25.69698 65.36191 9.008278 70.15537 3.755785 -4.793465      9.759867 
1 1 1 -7  31 13 o 88.51477 3.293782 387.4469       28.48778 336.9000       63.14534 400.3640       31.92086 80.43367 8.132001 89.87948 3.635844 -9.445808      8.907794 
1 1 1 -7  31 14 o 29.44239 5.473807 44.81492       15.19449 37.70000       45.03961 45.72866       16.14072 29.43958 11.23866 29.67394 5.764813 -0.2343636     12.63094 
1 1 1 -7  31 15 o 17.15410 7.909460 -20.55443      30.84518 -27.63000      42.61704 -12.77000      44.70087 20.01576 9.253119 22.13503 9.934038 -2.119274      13.57591 
1 1 1 -7  31 16 o 69.84185 3.682353 242.2937       25.08478 234.0000       55.61012 244.4124       28.10676 66.43340 8.765545 70.01878 4.119199 -3.585381      9.685173 
1 1 1 -7  31 17 o 20.68307 6.558726 21.58939       14.90024 10.74000       44.96106 22.92797       15.79270 25.07087 10.61188 21.28564 6.752590 3.785225       12.57814 
1 1 1 -7  31 18 o 79.28293 4.228547 313.8475       32.69665 0.000000       0.000000 313.8475       32.69665 ?        ?        79.28293 4.228547 ?              ?        
1 1 1 -7  31 19 o 19.82109 6.890264 18.50595       16.35975 0.000000       0.000000 18.50595       16.35975 ?        ?        19.82109 6.890264 ?              ?        
1 1 1 -7  31 20 o 27.98219 6.329155 41.38538       16.92816 87.44000       46.70081 34.41879       18.16344 39.04885 11.46692 25.45779 7.048534 13.59106       13.46002 
1 1 1 -7  31 21 o 90.47534 5.322873 414.5372       46.93097 369.9000       66.17706 459.7000       66.56548 83.55779 8.196575 93.93991 7.296408 -10.38212      10.97367 
1 1 1 -7  31 22 o 63.60426 8.581501 218.1000       52.06456 0.000000       0.000000 218.1000       52.06456 ?        ?        63.60426 8.581501 ?              ?        
1 1 1 -7  31 23 o 50.94265 10.99131 150.3000       53.19620 150.3000       53.19620 0.000000       0.000000 50.94265 10.99131 ?        ?        ?              ?        
1 1 1 -7  31 24 o 54.51030 6.647926 155.9673       34.73792 205.4000       53.39944 119.7000       45.73904 60.88993 9.250113 45.44798 10.49382 15.44196       13.98874 
1 1 1 -7  31 25 o 73.61120 5.544279 278.4160       39.65439 279.3000       59.27576 277.7000       53.35061 71.39278 8.659161 71.98351 7.690836 -0.5907288     11.58145 
1 1 1 -7  31 26 o 32.83561 9.416389 61.98723       31.83244 -9.748000      47.92998 118.6000       42.57927 22.43143 10.15660 45.26546 9.887416 -22.83403      14.17453 
1 1 1 -7  31 27 o 75.70834 5.494987 295.3936       40.44366 266.1000       59.34340 320.8000       55.26597 69.04402 8.994538 77.38950 7.385197 -8.345482      11.63799 
1 1 1 -7  31 28 o 48.26921 7.202435 125.8662       32.98975 112.4000       48.79974 137.2000       44.76948 42.63770 11.45144 48.65915 9.739775 -6.021450      15.03325 
1 1 1 -7  31 29 o 45.02049 7.865962 111.9843       33.40220 92.42000       49.13028 128.8000       45.54849 38.24141 11.87921 46.58966 10.26543 -8.348255      15.70015 
1 1 1 -7  31 30 o 50.28998 10.39867 151.0000       49.49629 151.0000       49.49629 0.000000       0.000000 50.28998 10.39867 ?        ?        ?              ?        
1 1 1 -7  31 31 o 45.11628 7.835561 112.9486       33.34792 68.72000       48.12593 153.8000       46.25202 33.34842 11.80051 51.44840 9.535488 -18.09998      15.17160 
1 1 1 -7  31 32 o 46.74128 10.26173 131.6000       45.65982 0.000000       0.000000 131.6000       45.65982 ?        ?        46.74128 10.26173 ?              ?        
1 1 1 -7  31 33 o 15.20573 7.208067 -26.95927      28.73818 -6.147000      43.22995 -43.44000      38.46920 21.31387 9.648654 16.67612 8.021936 4.637753       12.54783 
1 1 1 -7  31 34 o 27.41803 9.395782 43.26666       30.38023 95.16000       45.43800 1.314000       40.85480 38.41013 11.31925 21.58034 9.603850 16.82979       14.84450 
1 1 1 -7  31 35 o 56.85880 6.291155 173.2592       34.42841 157.8000       49.81102 187.4000       47.63976 50.68899 10.38870 56.91824 8.837385 -6.229248      13.63908 
1 1 1 -7  31 36 o 24.23929 9.224204 30.51587       30.27968 56.54000       44.47249 8.026000       41.34250 30.16020 11.24309 22.28206 9.800044 7.878134       14.91469 
1 1 1 -7  31 37 o 20.61141 8.670082 12.65339       29.71085 -9.720000      43.51010 32.20000       40.66866 20.63475 9.470277 25.60349 10.39265 -4.968739      14.06035 
1 1 1 -7  31 38 o 27.08941 9.502701 43.46864       31.15800 55.56000       45.55487 32.84000       42.71065 29.76474 11.31714 25.82423 10.58658 3.940506       15.49688 
1 1 1 -7  31 39 o 36.33113 9.221602 80.35585       32.84481 123.3000       49.29894 46.08000       44.04328 42.96197 11.49719 28.09374 11.00724 14.86823       15.91680 
1 1 1 -7  31 40 o 30.94975 11.60514 63.10000       47.52374 63.10000       47.52374 0.000000       0.000000 30.94975 11.60514 ?        ?        ?              ?        
1 1 1 -7  31 41 o 46.06759 7.978153 122.3826       34.67286 137.4000       49.39901 107.8000       48.67858 45.60993 11.15823 39.48786 11.73623 6.122066       16.19398 
1 1 1 -7  31 42 o 15.89097 7.814032 -65.81000      42.42623 0.000000       0.000000 -65.81000      42.42623 ?        ?        15.89097 7.814032 ?              ?        
1 1 1 -7  31 43 o 30.44045 9.705590 58.50154       32.59157 52.02000       46.00855 65.03000       46.17477 28.79593 11.25960 31.06665 11.47959 -2.270723      16.07979 
1 1 1 -7  31 44 o 32.69773 9.457438 67.28539       31.98147 43.93000       45.13767 90.83000       45.32015 27.36745 11.00576 36.16777 11.43469 -8.800327      15.87069 
1 1 1 -7  31 45 o 21.23297 8.742487 18.41624       29.29149 6.097000       40.47728 31.96000       42.44132 21.37898 9.533928 25.15867 10.45627 -3.779692      14.15025 
1 1 1 -7  31 46 o 26.68920 9.379778 44.15940       30.36674 50.80000       42.31785 37.11000       43.60099 28.03620 10.84439 25.83653 10.65499 2.199665       15.20295 
1 1 1 -7  31 47 o 20.93974 8.705463 18.12088       29.43105 19.44000       40.66591 16.67000       42.64840 22.76489 9.870755 22.66428 9.961383 0.1006126      14.02359 
1 1 1 -7  31 48 o 18.72919 8.785580 -15.34000      40.70415 -15.34000      40.70415 0.000000       0.000000 18.72919 8.785580 ?        ?        ?              ?        
1 1 1 -7  32 1  o 84.95720 3.794041 358.0118       31.47106 0.000000       0.000000 358.0118       31.47106 ?        ?        84.95720 3.794041 ?              ?        
1 1 1 -7  32 2  o 65.31904 3.650310 211.6868       23.24581 245.6000       56.30428 204.7184       25.52257 68.39562 8.599879 64.12080 4.087770 4.274818       9.521964 
1 1 1 -7  32 3  o 53.26442 4.444306 141.9976       22.96017 128.7000       52.10957 145.2012       25.57674 48.03112 11.27773 53.73454 4.917238 -5.703415      12.30310 
1 1 1 -7  32 4  o 46.99910 4.649663 111.0202       21.11030 139.7000       50.64320 104.9889       23.22422 50.39925 10.60226 45.50940 5.313418 4.889843       11.85918 
1 1 1 -7  32 5  o 65.25829 3.583970 211.2381       22.80530 234.1000       55.88007 206.6694       24.98028 66.61987 8.783083 64.44672 3.979363 2.173149       9.642504 
1 1 1 -7  32 6  o 81.23576 3.321791 326.4703       26.35778 399.5000       63.50681 311.2725       28.97083 88.07469 7.435934 79.20322 3.747533 8.871475       8.326891 
1 1 1 -7  32 7  o 70.95768 3.407452 249.3817       23.59740 221.1000       55.29763 255.6785       26.09244 64.56421 8.993799 71.76685 3.727136 -7.202644      9.735500 
1 1 1 -7  32 8  o 59.94260 3.557894 178.3537       20.78149 184.7000       51.29384 177.1074       22.73059 58.78828 9.216626 59.64418 3.915113 -0.8558998     10.01371 
1 1 1 -7  32 9  o 65.10101 3.533279 210.2713       22.43061 256.6000       55.33001 201.1600       24.53737 69.97671 8.235449 63.55898 3.963804 6.417732       9.139713 
1 1 1 -7  32 10 o 48.87819 3.975307 119.3106       18.85512 128.1000       50.10590 117.8606       20.35101 47.88125 10.93209 48.48752 4.333586 -0.6062660     11.75970 
1 1 1 -7  32 11 o 84.99606 3.259159 357.4493       27.06482 291.7000       60.25449 374.0677       30.29269 74.49241 8.410525 86.85853 3.570641 -12.36612      9.137090 
1 1 1 -7  32 12 o 48.06761 4.092038 115.5943       19.07013 74.40000       49.36682 122.8197       20.67502 36.64402 11.96812 49.49968 4.310077 -12.85566      12.72056 
1 1 1 -7  32 13 o 70.52891 3.485027 246.7885       23.98460 224.0000       56.06681 251.8929       26.53516 64.71597 9.102093 71.15892 3.823701 -6.442947      9.872628 
1 1 1 -7  32 14 o 44.46432 4.552569 99.66114       19.53467 116.8000       49.24084 96.45994       21.28097 45.38071 11.16342 43.58161 5.084014 1.799103       12.26659 
1 1 1 -7  32 15 o 75.82794 5.519701 291.3817       40.68805 293.6000       59.23334 289.4000       55.98697 74.58935 8.250805 74.32331 7.812508 0.2660370      11.36271 
1 1 1 -7  32 16 o 55.51143 5.260436 156.3602       28.24211 83.17000       49.94137 190.7704       34.24347 38.11914 11.99720 61.14309 5.790694 -23.02396      13.32160 
1 1 1 -7  32 17 o 40.86082 5.038153 85.05491       19.72419 0.000000       0.000000 85.05491       19.72419 ?        ?        40.86082 5.038153 ?              ?        
1 1 1 -7  32 18 o 11.76062 5.450225 -11.78135      14.92109 -14.48000      46.63410 -11.47356      15.74901 22.16721 10.02949 12.22535 5.642197 9.941857       11.50761 
1 1 1 -7  32 19 o 79.76570 4.206624 318.7467       32.72789 309.9000       58.90839 322.6965       39.36158 76.41126 7.994313 79.85085 5.062070 -3.439590      9.462219 
1 1 1 -7  32 20 o 38.02994 4.820054 73.88147       17.54009 55.61000       46.65144 76.88961       18.92897 32.11225 11.58916 38.70620 5.121785 -6.593952      12.67049 
1 1 1 -7  32 21 o 66.81570 3.990560 223.8541       25.97977 143.6000       53.47391 248.6502       29.72352 49.38823 11.30605 70.27888 4.342053 -20.89065      12.11116 
1 1 1 -7  32 22 f 30.21581 6.169642 48.55568       17.62955 -49.73000      46.64824 64.93266       19.04176 18.76288 8.974786 35.23576 5.716733 -16.47289      10.64086 
1 1 1 -7  32 23 o 35.66778 8.977213 72.24456       31.31381 60.99000       47.08491 81.17000       41.93071 32.60244 11.65800 36.90755 10.87287 -4.305107      15.94140 
1 1 1 -7  32 24 o 48.22377 9.792317 134.1000       44.64252 0.000000       0.000000 134.1000       44.64252 ?        ?        48.22377 9.792317 ?              ?        
1 1 1 -7  32 25 o 57.28234 9.955344 189.4000       53.79427 189.4000       53.79427 0.000000       0.000000 57.28234 9.955344 ?        ?        ?              ?        
1 1 1 -7  32 26 o 60.69589 6.155707 193.4553       36.06635 125.4000       52.22621 255.5000       49.86660 44.78009 11.76471 68.71897 7.537094 -23.93888      13.97198 
1 1 1 -7  32 27 o 44.60531 7.675115 109.5204       32.30188 107.5000       48.76490 111.1000       43.11804 41.38794 11.58299 43.06034 10.35710 -1.672405      15.53818 
1 1 1 -7  32 28 o 38.93966 11.49166 95.61000       46.80505 95.61000       46.80505 0.000000       0.000000 38.93966 11.49166 ?        ?        ?              ?        
1 1 1 -7  32 29 f 42.13539 8.565959 101.1012       34.12360 84.48000       46.72388 120.1000       49.95401 36.50174 11.61893 43.61813 11.52808 -7.116394      16.36753 
1 1 1 -7  32 30 o 32.48729 9.374780 62.43408       31.45873 54.21000       45.30727 70.09000       43.71422 30.44601 11.34842 33.54223 11.27319 -3.096222      15.99598 
1 1 1 -7  32 31 o 26.10024 10.55978 31.46000       41.83051 0.000000       0.000000 31.46000       41.83051 ?        ?        26.10024 10.55978 ?              ?        
1 1 1 -7  32 32 o 55.28273 6.487494 164.2789       34.43811 132.8000       50.08865 192.5000       47.42605 45.64903 11.27679 58.05043 8.606814 -12.40140      14.18602 
1 1 1 -7  32 33 o 26.31082 9.323952 38.97971       30.05470 65.43000       45.00583 17.69000       40.37740 32.14610 11.40804 23.60892 10.02740 8.537174       15.18855 
1 1 1 -7  32 34 o 16.88748 7.756364 -12.23306      29.26236 -18.95000      43.13438 -6.506000      39.82939 19.74307 9.189458 20.27656 9.211670 -0.5334911     13.01157 
1 1 1 -7  32 35 o 26.47063 9.392807 40.67892       30.50884 62.97000       45.35024 22.25000       41.23481 31.20181 11.40222 24.11194 10.18218 7.089872       15.28684 
1 1 1 -7  32 36 f 30.49707 9.521807 57.40262       31.52205 13.94000       45.80942 96.49000       43.44253 23.58904 10.34726 38.22796 11.01211 -14.63892      15.11067 
1 1 1 -7  32 37 o 24.06579 9.284270 30.05847       30.95829 -11.11000      45.13975 66.62000       42.53916 20.74203 9.565393 31.87598 11.10889 -11.13396      14.65961 
1 1 1 -7  32 38 o 21.57021 8.921331 17.69481       30.68638 7.731000       45.32055 26.13000       41.69942 22.69597 10.10682 24.57344 10.29990 -1.877470      14.43038 
1 1 1 -7  32 39 o 35.32036 11.76025 86.67000       47.58802 86.67000       47.58802 0.000000       0.000000 35.32036 11.76025 ?        ?        ?              ?        
1 1 1 -7  32 40 o 39.59356 8.679784 93.74774       32.70913 119.8000       46.64351 68.54000       45.88128 42.42348 11.10491 31.83447 11.49254 10.58901       15.98116 
1 1 1 -7  32 41 o 18.59518 8.784107 -25.81000      41.98132 0.000000       0.000000 -25.81000      41.98132 ?        ?        18.59518 8.784107 ?              ?        
1 1 1 -7  32 42 o 36.80972 9.115514 83.55462       32.66947 61.12000       45.89447 106.6000       46.51499 30.24636 11.39103 39.29527 11.41750 -9.048918      16.12808 
1 1 1 -7  32 43 o 26.64673 9.319777 42.98836       29.95591 24.75000       41.87197 62.11000       42.87391 24.13664 10.22974 30.48618 11.09482 -6.349539      15.09114 
1 1 1 -7  32 44 f 20.40784 8.561950 14.58998       28.85606 4.004000       40.02297 26.05000       41.64247 20.98329 9.409870 24.11923 10.21108 -3.135937      13.88567 
1 1 1 -7  32 45 f 32.78933 9.243174 68.53969       30.93572 85.59000       43.39483 50.92000       44.11344 34.69012 11.21285 27.95810 10.99740 6.732023       15.70576 
1 1 1 -7  32 46 o 30.55117 9.370574 60.89480       30.68614 77.34000       43.17668 44.11000       43.62022 32.59180 11.20006 26.51754 10.76336 6.074263       15.53355 
1 1 1 -7  33 1  o 50.20912 5.537075 128.2038       26.76117 170.8000       51.08899 112.0966       31.41600 56.14883 9.642952 46.32824 7.158350 9.820591       12.00952 
1 1 1 -7  33 2  o 92.30624 3.347978 421.7902       30.19951 461.7000       67.69875 411.8755       33.74286 94.57318 7.371365 91.06675 3.793743 3.506432       8.290326 
1 1 1 -7  33 3  o 21.38248 7.031125 22.68559       17.02607 71.90000       47.70360 15.50108       18.22652 36.09864 11.76311 19.38205 7.202996 16.71659       13.79326 
1 1 1 -7  33 4  o 44.97501 4.907440 102.2904       21.25382 100.3000       49.58883 102.7384       23.52403 41.98480 11.65478 44.90456 5.464352 -2.919762      12.87218 
1 1 1 -7  33 5  o 19.23124 6.959515 16.19912       16.83804 48.54000       47.39996 11.52863       18.01288 31.55511 11.63606 18.20724 7.066210 13.34788       13.61357 
1 1 1 -7  33 6  o 34.86188 5.306818 62.30384       17.53826 55.67000       46.72974 63.39149       18.92145 32.80095 11.62604 35.05183 5.711366 -2.250885      12.95317 
1 1 1 -7  33 7  o 29.90593 5.771598 46.53723       16.28305 26.73000       44.79722 49.55255       17.47857 27.42435 10.98635 30.81652 6.010446 -3.392166      12.52299 
1 1 1 -7  33 8  o 16.68744 6.301061 10.69095       14.06370 23.38000       42.81910 9.156584       14.88973 26.49583 10.69672 16.49622 6.418242 9.999615       12.47452 
1 1 1 -7  33 9  o 34.88049 4.939286 62.07604       16.39252 83.17000       46.51046 59.08410       17.51653 38.29388 11.49353 33.86129 5.471410 4.432598       12.72940 
1 1 1 -7  33 10 o 35.82541 4.795022 65.31335       16.39281 79.51000       47.64027 63.40668       17.45895 37.44820 11.70781 35.16460 5.231398 2.283596       12.82343 
1 1 1 -7  33 11 o 75.64045 3.373419 283.8204       24.91360 270.2000       58.28856 286.8648       27.55765 71.31105 8.518964 75.93687 3.718828 -4.625816      9.295291 
1 1 1 -7  33 12 o 58.80896 3.812584 172.5172       21.82841 154.8000       52.79065 176.1712       23.97387 52.52575 10.63309 59.32718 4.154627 -6.801437      11.41593 
1 1 1 -7  33 13 o 75.57525 5.645045 290.4479       41.45763 359.2000       61.27324 232.4000       56.30165 82.84625 7.642074 65.69253 8.991574 17.15372       11.80041 
1 1 1 -7  33 14 o 49.65550 3.900463 123.4028       18.80580 105.9000       49.19939 126.3976       20.35118 42.71874 11.50918 50.17617 4.181657 -7.457428      12.24531 
1 1 1 -7  33 15 o 28.20975 5.676256 41.70298       15.13020 -32.04000      46.48692 50.44029       16.00145 20.38115 9.504309 31.16596 5.443306 -10.78481      10.95269 
1 1 1 -7  33 16 o 38.01768 8.590244 79.62545       31.21092 0.000000       0.000000 79.62545       31.21092 ?        ?        38.01768 8.590244 ?              ?        
1 1 1 -7  33 17 o 88.36097 3.258805 387.7728       28.13717 357.5000       62.72735 395.3982       31.48210 81.97872 7.915497 89.07618 3.618268 -7.097458      8.703273 
1 1 1 -7  33 18 o 62.45440 3.984170 195.6848       24.22906 216.6000       51.98295 189.8801       27.38571 63.03985 8.652449 61.26925 4.599999 1.770607       9.799228 
1 1 1 -7  33 19 o 14.48761 6.046581 3.239326       14.27902 -23.75000      42.59584 6.656161       15.15595 19.91368 9.221661 15.73775 6.360198 4.175926       11.20228 
1 1 1 -7  33 20 o 38.33227 4.579381 75.09746       16.84265 51.25000       45.77855 78.83086       18.11312 30.76367 11.41871 39.19775 4.822443 -8.434080      12.39528 
1 1 1 -7  33 21 o 28.97550 5.136216 43.91455       14.03408 13.27000       44.74261 47.25847       14.77995 24.46240 10.47738 30.05673 5.212580 -5.594322      11.70242 
1 1 1 -7  33 22 o 43.50391 7.563427 103.3272       31.03865 76.37000       45.97734 125.9000       42.07265 35.38063 11.54959 46.81647 9.506056 -11.43584      14.95855 
1 1 1 -7  33 23 o 29.50295 9.146359 49.59824       29.14177 49.14000       43.54349 49.97000       39.22011 29.87760 11.12753 29.79704 10.64159 0.8056450E-01  15.39693 
1 1 1 -7  33 24 o 39.94629 8.229910 89.58253       31.10814 116.5000       45.56879 66.09000       42.57113 43.89019 10.70438 33.10160 11.12481 10.78859       15.43843 
1 1 1 -7  33 25 o 36.72827 8.699928 77.35092       30.79253 52.34000       44.69919 99.94000       42.47996 30.32963 11.27841 40.55476 10.58888 -10.22513      15.47020 
1 1 1 -7  33 26 o 26.40054 10.52000 32.63000       40.85448 0.000000       0.000000 32.63000       40.85448 ?        ?        26.40054 10.52000 ?              ?        
1 1 1 -7  33 27 o 62.80161 9.097836 225.4000       54.29922 225.4000       54.29922 0.000000       0.000000 62.80161 9.097836 ?        ?        ?              ?        
1 1 1 -7  33 28 f 30.03253 9.537447 53.08579       31.49794 47.25000       44.80096 58.79000       44.29302 29.14108 11.18779 31.23533 11.28977 -2.094254      15.89420 
1 1 1 -7  33 29 o 67.89036 8.361670 259.7000       54.39314 0.000000       0.000000 259.7000       54.39314 ?        ?        67.89036 8.361670 ?              ?        
1 1 1 -7  33 30 o 40.07280 11.11310 102.7000       45.11079 0.000000       0.000000 102.7000       45.11079 ?        ?        40.07280 11.11310 ?              ?        
1 1 1 -7  33 31 o 27.95050 9.437690 45.71397       30.63713 82.27000       45.26516 14.81000       41.61900 35.52346 11.44931 23.39862 10.06472 12.12483       15.24419 
1 1 1 -7  33 32 o 21.57498 8.863067 17.24424       30.01580 62.56000       45.35120 -18.08000      40.04059 31.34598 11.41038 19.11489 8.882370 12.23108       14.46006 
1 1 1 -7  33 33 o 35.38417 9.142474 75.94424       31.88976 71.43000       47.63715 79.61000       42.92749 32.68078 11.72146 34.68648 11.14699 -2.005695      16.17554 
1 1 1 -7  33 34 o 35.87147 9.024980 77.87737       31.65672 78.54000       46.83550 77.32000       42.95457 33.98704 11.66547 34.09121 11.16562 -0.1041718     16.14789 
1 1 1 -7  33 35 o 25.10736 9.385021 35.13531       31.02981 49.19000       46.64709 23.98000       41.55804 28.59059 11.28950 24.25885 10.23195 4.331743       15.23632 
1 1 1 -7  33 36 o 32.41291 9.506683 65.26302       32.11547 47.73000       46.61054 81.11000       44.31280 28.37307 11.25921 34.66262 11.34007 -6.289551      15.98021 
1 1 1 -7  33 37 o 27.34739 9.552567 45.29991       31.46506 37.50000       46.66990 51.80000       42.60414 26.65191 11.01059 28.78564 10.94457 -2.133730      15.52471 
1 1 1 -7  33 38 o 20.86386 9.496297 -3.390000      42.57718 -3.390000      42.57718 0.000000       0.000000 20.86386 9.496297 ?        ?        ?              ?        
1 1 1 -7  33 39 o 17.54780 7.958399 -6.153983      29.57388 -7.101000      41.55434 -5.182000      42.09852 20.25386 9.280399 20.56479 9.391882 -0.3109322     13.20353 
1 1 1 -7  33 40 o 39.26351 11.48371 106.4000       46.91878 0.000000       0.000000 106.4000       46.91878 ?        ?        39.26351 11.48371 ?              ?        
1 1 1 -7  33 41 o 19.08029 8.371168 4.543371       29.99651 -4.894000      41.75328 14.61000       43.12281 20.41436 9.334603 22.90042 10.04240 -2.486063      13.71075 
1 1 1 -7  33 42 o 16.32069 7.549454 -12.77421      28.43132 -69.71000      39.09649 51.13000       41.41997 14.73295 7.292286 28.33965 10.78751 -13.60670      13.02106 
1 1 1 -7  33 43 o 23.31472 9.012930 29.47616       29.21867 48.61000       40.56384 8.843000       42.12315 27.62731 10.63553 21.84400 9.734563 5.783312       14.41791 
1 1 1 -7  33 44 o 23.30123 9.058718 29.95626       29.64280 37.36000       40.82473 21.70000       43.11115 25.46560 10.38427 23.39715 10.15394 2.068453       14.52362 
1 1 1 -7  33 45 o 26.61550 9.322932 45.29387       29.98323 31.22000       40.85646 61.72000       44.13890 24.30252 10.19139 29.40302 11.14913 -5.100502      15.10521 
1 1 1 -7  34 1  o 113.2364 3.383729 635.5557       37.46282 685.8000       83.11123 622.7439       41.96820 114.9295 7.427691 111.8867 3.837770 3.042809       8.360567 
1 1 1 -7  34 2  o 60.32649 4.870380 183.5938       28.51493 189.8000       55.04995 181.3180       33.33556 58.76784 9.922943 59.58713 5.788275 -0.8192863     11.48777 
1 1 1 -7  34 3  o 92.88770 5.408064 436.4841       48.95803 506.2000       71.92629 376.3000       66.82862 98.60515 7.508615 84.47026 8.185082 14.13489       11.10742 
1 1 1 -7  34 4  o 50.13713 4.180658 126.0975       20.33028 178.7000       52.63139 116.8722       22.04104 57.05779 9.775226 48.08596 4.744576 8.971832       10.86582 
1 1 1 -7  34 5  o 58.69818 4.194685 172.5880       23.94188 145.4000       52.76931 179.6355       26.86626 50.63002 10.96587 59.74284 4.630376 -9.112827      11.90339 
1 1 1 -7  34 6  o 100.5231 3.754925 502.6714       36.88156 536.4000       73.09049 491.1497       42.71900 101.5315 7.405436 99.05640 4.416986 2.475067       8.622659 
1 1 1 -7  34 7  o 36.51860 5.095292 68.26364       17.71813 121.5000       49.70374 60.51388       18.96396 46.03244 11.15032 34.09565 5.895535 11.93678       12.61296 
1 1 1 -7  34 8  o 68.83465 3.543015 235.6738       23.79154 291.1000       58.12849 224.5204       26.07568 74.13209 8.144811 67.03670 3.991978 7.095390       9.070492 
1 1 1 -7  34 9  o 34.50769 5.043202 61.07508       16.53141 62.41000       47.57141 60.89174       17.63017 33.73816 11.74824 34.33598 5.425705 -0.5978241     12.94061 
1 1 1 -7  34 10 o 37.93741 4.628922 73.16048       16.83361 108.8000       48.49006 68.27673       17.94996 43.25243 11.32293 36.46321 5.174375 6.789223       12.44921 
1 1 1 -7  34 11 o 66.49586 3.919417 221.1062       25.39756 218.4000       54.91954 221.8424       28.64456 63.26332 9.132973 66.41163 4.431842 -3.148308      10.15147 
1 1 1 -7  34 12 o 12.10952 5.584605 -10.93499      15.38822 -2.365000      44.45823 -12.10146      16.40207 22.85966 10.10380 12.41427 5.739522 10.44539       11.62019 
1 1 1 -7  34 13 o 28.75359 5.916837 43.65664       16.09714 3.545000       45.68594 49.34217       17.20017 23.80251 10.38956 30.59887 5.957126 -6.796364      11.97624 
1 1 1 -7  34 14 o 58.46605 4.015798 171.6385       22.84211 0.000000       0.000000 171.6385       22.84211 ?        ?        58.46605 4.015798 ?              ?        
1 1 1 -7  34 15 o 51.88029 4.152330 135.6855       20.91041 0.000000       0.000000 135.6855       20.91041 ?        ?        51.88029 4.152330 ?              ?        
1 1 1 -7  34 16 o 28.68677 9.508561 45.27044       31.11790 22.85000       45.17142 65.52000       42.92887 26.08140 10.80896 33.54939 11.16970 -7.467991      15.54335 
1 1 1 -7  34 17 o 74.05392 4.408174 277.2183       31.80850 207.5000       55.97065 310.4770       38.65807 60.39622 9.803546 77.97624 5.092777 -17.58002      11.04744 
1 1 1 -7  34 18 o 41.50101 4.846812 88.50249       19.31860 80.02000       46.27279 90.29311       21.26007 36.17864 11.56784 41.72377 5.326976 -5.545135      12.73544 
1 1 1 -7  34 19 o 32.53830 5.109612 55.15755       15.73814 40.68000       43.43344 57.34572       16.88566 28.39299 10.98532 33.07872 5.401329 -4.685734      12.24139 
1 1 1 -7  34 20 o 38.48525 4.323229 75.60862       16.00449 87.19000       43.73989 73.81837       17.19705 37.72881 11.10234 37.86524 4.743693 -0.1364288     12.07330 
1 1 1 -7  34 21 f 54.10905 6.357633 154.9639       33.03052 164.2000       47.33727 146.2000       46.11127 53.51509 9.378608 50.14470 9.745727 3.370384       13.52544 
1 1 1 -7  34 22 o 28.49858 9.145492 46.37057       28.90298 26.33000       39.88165 68.54000       41.94645 25.27746 10.28004 33.50564 11.03700 -8.228184      15.08292 
1 1 1 -7  34 23 o 20.60308 8.573520 11.78500       28.58399 -1.850000      40.58163 25.21000       40.26792 21.38655 9.541167 25.11538 10.28580 -3.728825      14.02966 
1 1 1 -7  34 24 o 37.25845 8.616457 79.82309       30.79725 75.83000       43.93664 83.68000       43.18097 34.80807 11.28521 36.57371 11.09583 -1.765636      15.82635 
1 1 1 -7  34 25 o 31.97475 9.425882 60.48285       31.50421 46.51000       44.20909 74.90000       44.90646 29.01538 11.12020 34.49200 11.42221 -5.476616      15.94132 
1 1 1 -7  34 26 o 22.87502 10.07654 6.171000       43.86659 6.171000       43.86659 0.000000       0.000000 22.87502 10.07654 ?        ?        ?              ?        
1 1 1 -7  34 27 o 15.75591 7.420015 -23.81093      29.53850 -61.89000      43.00143 10.21000       40.64553 16.54524 8.079295 22.68978 9.853035 -6.144533      12.74195 
1 1 1 -7  34 28 o 38.13059 11.27379 94.13000       45.01268 0.000000       0.000000 94.13000       45.01268 ?        ?        38.13059 11.27379 ?              ?        
1 1 1 -7  34 29 o 68.46021 8.928631 271.1000       58.40713 271.1000       58.40713 0.000000       0.000000 68.46021 8.928631 ?        ?        ?              ?        
1 1 1 -7  34 30 o 13.91139 6.747327 -39.52258      28.63043 -26.38000      41.23145 -51.76000      39.78629 18.61114 8.765208 16.26078 7.902366 2.350361       11.80154 
1 1 1 -7  34 31 o 49.30429 7.085361 134.8672       33.21332 131.3000       47.42830 138.3000       46.52615 45.16510 10.86187 46.89615 10.40757 -1.731052      15.04319 
1 1 1 -7  34 32 o 33.94449 9.312605 70.80905       31.86979 38.36000       45.86644 101.1000       44.31497 26.91441 10.99478 39.08005 11.07878 -12.16564      15.60848 
1 1 1 -7  34 33 o 19.12855 8.360512 4.448630       29.66906 -12.00000      43.96775 18.20000       40.20151 20.33109 9.398794 23.18224 9.930325 -2.851143      13.67292 
1 1 1 -7  34 34 o 32.62303 9.447843 66.11372       31.89795 148.9000       47.94038 0.3476000      42.72906 48.49316 10.41108 21.39745 9.648307 27.09571       14.19438 
1 1 1 -7  34 35 o 27.94371 9.499619 47.85009       31.04394 23.53000       45.61673 68.83000       42.36853 24.57660 10.55372 32.06417 11.09151 -7.487570      15.31021 
1 1 1 -7  34 36 o 22.01358 9.001840 20.51769       30.78403 20.64000       43.96078 20.40000       43.12172 23.96215 10.32593 23.81749 10.24485 0.1446533      14.54585 
1 1 1 -7  34 37 o 76.04757 8.135689 334.2000       59.62012 334.2000       59.62012 0.000000       0.000000 76.04757 8.135689 ?        ?        ?              ?        
1 1 1 -7  34 38 o 28.57986 9.666377 51.03099       32.14019 67.01000       45.58093 35.23000       45.32633 31.36806 11.43610 26.05714 10.81571 5.310917       15.74052 
1 1 1 -7  34 39 o 30.82508 9.806851 61.00740       33.28991 51.26000       48.01521 70.03000       46.19558 28.49711 11.38830 31.74083 11.52168 -3.243715      16.20008 
1 1 1 -7  34 40 o 30.19692 9.446305 57.78082       31.00853 78.04000       43.62338 37.09000       44.08564 33.46119 11.26157 26.05359 10.72616 7.407597       15.55228 
1 1 1 -7  34 41 o 21.06447 8.709785 17.98746       29.23746 60.65000       40.69883 -27.51000      42.02929 29.99062 10.82442 18.24942 8.670008 11.74121       13.86856 
1 1 1 -7  34 42 o 34.06170 9.109056 73.41910       30.95898 51.45000       42.72358 97.71000       44.92451 28.00188 10.87833 36.96638 11.33797 -8.964497      15.71266 
1 1 1 -7  34 43 o 23.95745 9.095083 33.54926       29.39443 16.21000       40.06628 53.76000       43.25683 22.17054 9.702247 28.11990 10.93989 -5.949364      14.62241 
1 1 1 -7  34 44 o 19.46112 8.397596 10.50501       29.15095 -7.912000      39.75666 31.92000       42.87056 19.25255 8.913242 24.52398 10.37046 -5.271433      13.67452 
1 1 1 -7  35 1  o 45.75359 4.585920 106.0505       20.26143 92.38000       51.51086 108.5528       22.03786 39.41973 12.14983 46.16713 4.954151 -6.747395      13.12105 
1 1 1 -7  35 2  o 28.98331 6.633424 44.89470       18.41100 71.52000       48.79835 40.47567       19.88022 35.29367 11.91090 27.38681 7.288393 7.906860       13.96389 
1 1 1 -7  35 3  o 28.85714 8.436962 45.50603       25.32938 58.14000       49.49099 41.02226       29.48343 32.78309 11.92183 27.77472 9.256933 5.008368       15.09374 
1 1 1 -7  35 4  o 39.50436 7.155180 83.28957       26.64922 158.9000       50.98479 54.86740       31.25923 53.02515 10.19339 31.39243 9.422617 21.63272       13.88132 
1 1 1 -7  35 5  o 70.17018 3.541488 245.3886       24.24590 287.8000       58.93689 236.7487       26.60115 73.15840 8.381465 68.76273 3.969085 4.395676       9.273758 
1 1 1 -7  35 6  o 17.75771 6.831928 11.86014       16.73098 34.38000       47.26712 8.634416       17.88916 28.44541 11.32188 17.25824 6.932684 11.18718       13.27581 
1 1 1 -7  35 7  o 71.45099 3.896927 255.5066       27.15124 329.0000       60.48230 236.9581       30.38493 78.49333 7.983030 68.52284 4.556070 9.970490       9.191656 
1 1 1 -7  35 8  o 32.57538 5.473078 55.28385       16.83306 66.14000       48.59772 53.80381       17.94386 34.01063 11.87229 31.96054 5.954861 2.050093       13.28200 
1 1 1 -7  35 9  o 43.51154 4.382205 95.96011       18.40998 142.0000       52.12271 89.39780       19.67833 49.17247 11.09399 41.80277 4.902278 7.369705       12.12884 
1 1 1 -7  35 10 o 43.03844 4.878909 94.74847       20.19133 101.7000       49.96959 93.39198       22.07361 40.94753 11.81500 42.51222 5.428272 -1.564690      13.00232 
1 1 1 -7  35 11 o 38.44912 4.695820 75.63895       17.30648 125.6000       48.38848 68.31056       18.53234 46.12421 10.89295 36.26712 5.383623 9.857094       12.15071 
1 1 1 -7  35 12 o 63.29255 3.664463 200.5945       22.60519 184.8000       52.49786 204.1895       25.04601 57.06598 9.748296 63.70621 4.037294 -6.640232      10.55126 
1 1 1 -7  35 13 o 39.20179 5.212305 79.54287       19.50539 0.000000       0.000000 79.54287       19.50539 ?        ?        39.20179 5.212305 ?              ?        
1 1 1 -7  35 14 o 23.38457 9.207746 22.69236       30.95177 -14.89000      45.48998 55.09000       42.23577 21.29791 9.740405 31.07774 11.04912 -9.779831      14.72951 
1 1 1 -7  35 15 o 16.23448 6.328729 9.485545       14.49969 47.55000       43.65815 4.766390       15.37226 29.63683 11.12099 15.24852 6.311217 14.38831       12.78702 
1 1 1 -7  35 16 o 48.26960 4.112462 118.0338       19.24554 106.1000       46.55166 120.4940       21.13643 41.59241 11.19064 48.61666 4.492397 -7.024250      12.05869 
1 1 1 -7  35 17 o 46.18736 5.600299 111.3517       24.80204 72.87000       44.08439 129.1728       30.00029 34.51846 11.31186 49.36806 6.355596 -14.84960      12.97504 
1 1 1 -7  35 18 o 35.85151 5.473824 67.48206       18.60102 28.65000       40.93190 77.58856       20.88176 25.86103 10.45194 38.36948 5.735769 -12.50845      11.92234 
1 1 1 -7  35 19 o 51.71178 3.558125 134.4845       17.90036 100.7000       44.62514 140.9629       19.54140 40.32338 11.00241 52.84846 3.803040 -12.52509      11.64114 
1 1 1 -7  35 20 o 45.18728 3.815666 103.2905       16.71933 69.74000       43.33353 109.1585       18.12255 33.62209 11.22290 46.37495 4.032409 -12.75286      11.92534 
1 1 1 -7  35 21 o 30.97418 9.351988 56.41617       30.72638 65.59000       41.42835 45.20000       45.80837 32.70123 10.97434 28.92325 11.25636 3.777975       15.72075 
1 1 1 -7  35 22 o 50.05172 7.136060 136.4716       33.97207 117.8000       44.92811 161.4000       51.91280 43.84629 10.58882 51.53423 10.64389 -7.687939      15.01384 
1 1 1 -7  35 23 o 21.65590 8.878196 16.39184       30.04002 21.06000       40.84197 10.89000       44.33920 24.37005 10.20261 23.55465 10.25906 0.8154049      14.46864 
1 1 1 -7  35 24 o 41.89310 11.30217 112.3000       47.40631 112.3000       47.40631 0.000000       0.000000 41.89310 11.30217 ?        ?        ?              ?        
1 1 1 -7  35 25 o 41.88479 8.336093 100.5637       32.97402 102.3000       46.99491 98.88000       46.27796 39.67994 11.46057 39.04969 11.40049 0.6302528      16.16527 
1 1 1 -7  35 26 o 61.44735 6.167446 201.5490       36.59393 187.7000       53.64732 213.6000       50.04367 55.52050 10.24910 61.00245 8.620997 -5.481945      13.39275 
1 1 1 -7  35 27 o 44.18342 10.68227 122.9000       45.68484 0.000000       0.000000 122.9000       45.68484 ?        ?        44.18342 10.68227 ?              ?        
1 1 1 -7  35 28 o 32.29535 9.421551 63.74764       31.61654 39.18000       46.78372 84.40000       42.89413 27.32840 11.12666 35.87728 11.09223 -8.548876      15.71114 
1 1 1 -7  35 29 o 40.03285 8.528838 94.41939       32.39676 89.96000       47.46091 98.31000       44.33094 36.23781 11.72752 38.50262 11.13415 -2.264812      16.17109 
1 1 1 -7  35 30 o 19.10829 8.860556 -15.12000      39.52349 0.000000       0.000000 -15.12000      39.52349 ?        ?        19.10829 8.860556 ?              ?        
1 1 1 -7  35 31 o 22.27142 9.903227 7.469000       43.35043 7.469000       43.35043 0.000000       0.000000 22.27142 9.903227 ?        ?        ?              ?        
1 1 1 -7  35 32 o 20.04682 8.642078 8.749753       30.81568 -20.26000      44.34520 35.84000       42.85299 19.62786 9.195267 26.11340 10.64261 -6.485535      14.06478 
1 1 1 -7  35 33 o 16.92789 7.790485 -11.51302      29.72579 -11.54000      43.80733 -11.49000      40.46816 20.28141 9.377874 19.59010 9.042296 0.6913090      13.02719 
1 1 1 -7  35 34 o 37.64086 8.813751 85.82454       31.89806 69.90000       45.74143 100.9000       44.50530 31.96130 11.48312 38.57122 11.15664 -6.609917      16.01039 
1 1 1 -7  35 35 o 29.28526 10.98039 55.59000       42.54342 55.59000       42.54342 0.000000       0.000000 29.28526 10.98039 ?        ?        ?              ?        
1 1 1 -7  35 36 f 20.38974 8.664029 12.39492       30.16739 -36.16000      41.47528 66.94000       43.95927 17.55802 8.415588 31.36884 11.25880 -13.81082      14.05641 
1 1 1 -7  35 37 o 42.36166 11.31075 122.6000       47.78033 0.000000       0.000000 122.6000       47.78033 ?        ?        42.36166 11.31075 ?              ?        
1 1 1 -7  35 38 o 27.60423 9.571912 47.65231       31.56262 45.58000       44.44854 49.76000       44.82644 27.35571 10.94872 28.05141 11.06997 -0.6957054     15.56981 
1 1 1 -7  35 39 o 19.86522 8.452455 11.52758       28.77843 1.363000       39.67794 22.81000       41.80283 20.61844 9.297211 23.69081 10.13668 -3.072374      13.75465 
1 1 1 -7  35 40 o 14.25608 6.852213 -30.12772      27.93661 -15.72000      38.11144 -46.86000      41.07101 18.35246 8.573894 16.51689 8.027315 1.835571       11.74519 
1 1 1 -7  35 41 o 20.81235 8.649642 17.83682       29.04114 -8.718000      39.41605 49.37000       42.95218 19.22253 8.890791 27.46506 10.83685 -8.242531      14.01726 
1 1 1 -7  35 42 o 27.00586 9.329727 47.22752       29.97395 74.39000       41.40546 17.32000       43.44734 31.98712 10.96875 22.60916 9.990890 9.377960       14.83682 
1 1 1 -7  35 43 o 17.15498 7.826761 -4.666917      29.14170 -4.218000      39.68993 -5.192000      42.92509 19.46529 8.974023 19.94273 9.242805 -0.4774399     12.88264 
1 1 1 -7  36 1  o 41.62928 4.865781 88.83029       19.45348 64.06000       48.64499 93.54584       21.22455 33.28855 11.85548 42.60178 5.197305 -9.313229      12.94467 
1 1 1 -7  36 2  o 49.80812 4.291438 125.5679       20.71848 106.7000       50.84049 129.3253       22.68786 41.69926 11.88156 50.41020 4.650386 -8.710938      12.75922 
1 1 1 -7  36 3  o 35.83597 5.479386 66.93950       18.61056 108.6000       48.09515 59.60306       20.18281 42.39630 11.36047 33.41759 6.403228 8.978714       13.04076 
1 1 1 -7  36 4  o 35.09314 7.774368 67.85080       26.00138 77.14000       47.33871 63.83762       31.11517 35.77771 11.72180 33.44218 9.212362 2.335529       14.90866 
1 1 1 -7  36 5  o 70.29562 4.622741 250.6852       31.63130 332.6000       58.36893 216.6263       37.63704 78.70540 7.673892 64.53182 6.028232 14.17358       9.758493 
1 1 1 -7  36 6  o 52.60093 4.051455 139.6116       20.69920 194.4000       50.65900 128.6314       22.67873 58.95375 9.069070 50.23193 4.665798 8.721821       10.19891 
1 1 1 -7  36 7  o 31.15834 6.307006 52.02678       18.57466 42.30000       46.00904 53.92083       20.30276 29.04121 11.28697 31.54748 6.777016 -2.506269      13.16525 
1 1 1 -7  36 8  o 21.33444 6.978307 23.66352       16.78061 24.12000       44.54111 23.58801       18.11541 25.91288 10.73567 21.46539 7.257120 4.447485       12.95841 
1 1 1 -7  36 9  f 13.17525 5.898910 -5.170000      15.65998 20.77000       43.55083 -9.022032      16.78249 25.20304 10.54232 12.99857 5.933925 12.20447       12.09760 
1 1 1 -7  36 10 o 18.39014 6.682029 15.51825       15.54282 61.11000       44.00678 9.020375       16.61354 32.20309 11.29358 16.78460 6.701791 15.41850       13.13236 
1 1 1 -7  36 11 f 33.88318 5.756066 60.70101       18.40818 0.000000       0.000000 60.70101       18.40818 ?        ?        33.88318 5.756066 ?              ?        
1 1 1 -7  36 12 o 26.44682 10.49898 31.95000       40.54386 0.000000       0.000000 31.95000       40.54386 ?        ?        26.44682 10.49898 ?              ?        
1 1 1 -7  36 13 o 34.29399 5.421066 61.74186       17.59326 1.783000       43.58218 73.41482       19.22971 22.55942 9.985854 37.46305 5.399714 -14.90363      11.35228 
1 1 1 -7  36 14 o 40.07460 4.782527 82.80839       18.39017 56.93000       44.23788 88.21490       20.22016 31.17081 11.28051 41.23006 5.120295 -10.05925      12.38820 
1 1 1 -7  36 15 o 59.28516 3.680504 176.8975       21.25262 117.8000       47.95142 191.3443       23.70840 43.54391 11.19035 61.53642 3.957053 -17.99250      11.86938 
1 1 1 -7  36 16 o 43.07847 4.223085 94.63936       17.57867 80.81000       45.52879 97.06211       19.05636 35.80350 11.47720 43.49621 4.542818 -7.692715      12.34356 
1 1 1 -7  36 17 o 33.18046 7.319170 61.18358       23.13202 52.93000       43.28360 64.48340       27.36825 30.18297 11.12120 33.54189 8.364721 -3.358917      13.91581 
1 1 1 -7  36 18 o 39.27114 5.209978 80.59683       19.53338 32.88000       42.13847 93.65652       22.04497 26.45632 10.63576 42.25154 5.457783 -15.79522      11.95436 
1 1 1 -7  36 19 o 60.58997 4.043279 186.1663       23.84231 166.1000       47.36922 192.9747       27.59224 53.38434 9.408828 61.36536 4.627748 -7.981018      10.48533 
1 1 1 -7  36 20 o 22.98147 6.405702 28.86555       14.94658 -6.692000      39.65006 34.75523       16.13704 20.44659 9.249801 25.14055 6.507511 -4.693962      11.30958 
1 1 1 -7  36 21 o 25.96368 9.354815 37.07567       30.38207 28.84000       41.13608 46.96000       45.06579 25.51983 10.41721 28.90450 11.18805 -3.384663      15.28695 
1 1 1 -7  36 22 o 28.98652 9.383824 49.75301       30.38523 39.36000       42.32116 60.81000       43.65214 27.28777 10.76003 31.27355 11.22003 -3.985773      15.54565 
1 1 1 -7  36 23 o 49.24169 10.35217 149.0000       48.31031 149.0000       48.31031 0.000000       0.000000 49.24169 10.35217 ?        ?        ?              ?        
1 1 1 -7  36 24 o 31.28016 9.362034 59.22103       30.89179 61.61000       44.93465 57.08000       42.53891 31.20594 11.35809 30.34687 11.05030 0.8590717      15.84662 
1 1 1 -7  36 25 o 48.33843 10.13337 143.6000       46.41077 0.000000       0.000000 143.6000       46.41077 ?        ?        48.33843 10.13337 ?              ?        
1 1 1 -7  36 26 o 17.62031 7.992672 -7.255858      29.84495 -45.89000      44.80027 23.57000       40.01775 17.84826 8.603753 24.13291 10.10094 -6.284653      13.26852 
1 1 1 -7  36 27 o 43.30835 8.028349 108.3833       32.78040 126.3000       48.91740 93.78000       44.16324 43.48315 11.36754 37.38906 11.19464 6.094090       15.95434 
1 1 1 -7  36 28 o 40.24823 8.547990 96.00845       32.63459 102.3000       48.34101 90.74000       44.23625 38.42313 11.75675 36.63822 11.25327 1.784908       16.27444 
1 1 1 -7  36 29 o 16.37814 7.620533 -15.94256      29.62160 -57.49000      44.69921 16.59000       39.55368 16.90619 8.251568 22.77689 9.804714 -5.870697      12.81487 
1 1 1 -7  36 30 o 34.40787 9.404441 73.80161       32.57153 47.53000       46.95889 98.16000       45.21669 28.14885 11.25788 37.93038 11.32045 -9.781530      15.96535 
1 1 1 -7  36 31 o 18.92253 8.345076 2.685661       30.16810 -6.237000      44.69944 10.15000       40.88373 20.95234 9.609656 22.11100 9.734405 -1.158665      13.67860 
1 1 1 -7  36 32 o 43.11833 10.89991 123.5000       46.02014 0.000000       0.000000 123.5000       46.02014 ?        ?        43.11833 10.89991 ?              ?        
1 1 1 -7  36 33 o 15.88385 7.754058 -52.80000      39.52550 -52.80000      39.52550 0.000000       0.000000 15.88385 7.754058 ?        ?        ?              ?        
1 1 1 -7  36 34 o 21.43818 9.589424 5.023000       41.27962 5.023000       41.27962 0.000000       0.000000 21.43818 9.589424 ?        ?        ?              ?        
1 1 1 -7  36 35 o 21.50388 8.901040 18.62934       30.58058 -14.20000      42.92939 52.45000       43.57272 19.70672 9.170872 28.59804 11.01935 -8.891314      14.33635 
1 1 1 -7  36 36 o 33.73065 11.65866 81.86000       46.80846 0.000000       0.000000 81.86000       46.80846 ?        ?        33.73065 11.65866 ?              ?        
1 1 1 -7  36 37 o 23.52872 9.067130 30.17602       29.50394 1.989000       40.25268 62.90000       43.37139 20.76148 9.362772 30.31068 11.13858 -9.549202      14.55093 
1 1 1 -7  36 38 o 34.36122 8.959359 73.94724       30.43925 61.69000       42.04319 87.45000       44.12761 29.96312 10.97397 34.98914 11.30693 -5.026022      15.75674 
1 1 1 -7  36 39 o 27.63282 9.309085 48.74692       29.80797 32.31000       41.21691 66.77000       43.15984 24.67859 10.28439 30.65836 11.13553 -5.979771      15.15812 
1 1 1 -7  36 40 o 18.07705 8.045779 2.098092       28.68301 48.46000       39.18105 -51.44000      42.10434 27.08324 10.44569 16.29863 7.966548 10.78461       13.13691 
1 1 1 -7  36 41 o 15.25145 7.203802 -19.23849      28.22077 -49.71000      38.46133 16.30000       41.53621 15.49121 7.580844 22.16143 9.781933 -6.670220      12.37560 
1 1 1 -7  37 1  o 26.75900 6.853604 39.25483       18.02853 37.02000       44.59924 39.69133       19.71073 27.75780 11.01408 26.79535 7.312632 0.9624481      13.22061 
1 1 1 -7  37 2  o 64.98136 3.740574 212.3027       23.69159 160.8000       52.79652 225.2881       26.51059 51.78771 10.76690 66.78130 4.075028 -14.99359      11.51225 
1 1 1 -7  37 3  o 20.63026 7.023570 21.66426       16.97075 24.93000       43.96985 21.09261       18.39620 25.77560 10.67159 20.66291 7.297287 5.112690       12.92800 
1 1 1 -7  37 4  o 42.15084 4.711858 91.28891       19.10818 107.7000       46.20530 87.90320       20.98689 41.83981 11.10063 41.07911 5.346109 0.7607002      12.32091 
1 1 1 -7  37 5  o 34.54142 7.845798 66.77161       25.92041 43.94000       43.88546 79.00367       32.12197 28.81600 11.07035 37.00885 8.963381 -8.192858      14.24412 
1 1 1 -7  37 6  o 40.85197 6.936705 90.44283       26.74685 61.07000       45.32684 106.1345       33.12966 32.01604 11.43943 43.63918 8.052523 -11.62313      13.98941 
1 1 1 -7  37 7  o 17.89686 6.996457 12.06244       17.76130 -28.94000      42.10902 20.93583       19.58912 18.98251 8.914387 20.78377 7.508569 -1.801256      11.65525 
1 1 1 -7  37 8  o 20.66010 7.398297 20.91316       18.96969 10.83000       43.35924 23.30000       21.09576 23.58278 10.20897 21.68295 7.797346 1.899836       12.84608 
1 1 1 -7  37 9  o 56.63735 4.249399 163.0068       23.38614 177.5000       49.98993 158.9462       26.46013 55.31421 9.579754 55.58208 4.914094 -0.2678795     10.76661 
1 1 1 -7  37 10 o 26.22781 10.37433 32.70000       39.45275 0.000000       0.000000 32.70000       39.45275 ?        ?        26.22781 10.37433 ?              ?        
1 1 1 -7  37 11 o 14.38597 6.164556 1.254834       15.50257 0.000000       0.000000 1.254834       15.50257 ?        ?        14.38597 6.164556 ?              ?        
1 1 1 -7  37 12 o 13.84952 6.090441 -2.119271      15.96258 -61.46000      41.91215 7.948655       17.26369 16.38399 7.995269 16.63290 6.763866 -0.2489071     10.47255 
1 1 1 -7  37 13 o 34.11561 5.549216 61.59323       17.89440 94.14000       45.18153 55.53814       19.48800 38.55570 11.26698 31.95722 6.452603 6.598482       12.98387 
1 1 1 -7  37 14 o 30.89545 5.857976 51.20871       17.06720 27.11000       43.44863 55.60565       18.55900 25.67050 10.61625 32.10197 6.129814 -6.431467      12.25885 
1 1 1 -7  37 15 o 39.36812 6.759150 84.39013       25.10825 79.52000       45.29333 86.55067       30.16784 35.29082 11.45938 39.02345 8.160787 -3.732635      14.06826 
1 1 1 -7  37 16 o 27.79000 6.049498 41.89538       15.98763 0.7651000      42.52102 48.66739       17.25367 21.93091 9.776402 29.98752 6.086270 -8.056616      11.51611 
1 1 1 -7  37 17 o 38.14429 6.562890 79.08437       23.62011 83.64000       44.27058 77.27148       27.92718 36.10616 11.28584 36.86607 7.971648 -0.7599106     13.81729 
1 1 1 -7  37 18 o 17.01344 6.550892 11.71606       15.39159 3.650000       41.37741 13.01139       16.58146 21.94065 9.720066 17.70951 6.804442 4.231138       11.86508 
1 1 1 -7  37 19 o 21.76530 7.477089 25.10975       19.24257 29.36000       41.75874 23.96396       21.68172 25.53283 10.46762 21.72315 7.892208 3.809679       13.10946 
1 1 1 -7  37 20 o 34.60307 4.842244 62.59758       15.95252 34.84000       43.22845 66.97359       17.16398 26.51567 10.73227 35.71493 5.050547 -9.199265      11.86127 
1 1 1 -7  37 21 o 38.60110 11.22719 97.70000       44.95674 97.70000       44.95674 0.000000       0.000000 38.60110 11.22719 ?        ?        ?              ?        
1 1 1 -7  37 22 o 15.60557 7.344964 -22.28285      28.86941 -60.22000      39.95477 19.16000       41.76006 15.74349 7.708990 23.85450 10.16695 -8.111012      12.75913 
1 1 1 -7  37 23 o 20.15200 8.500591 11.39697       28.68839 -34.19000      41.66597 52.49000       39.55899 17.98141 8.568065 29.19321 10.65226 -11.21180      13.67050 
1 1 1 -7  37 24 o 18.54983 8.636067 -17.57000      38.13061 0.000000       0.000000 -17.57000      38.13061 ?        ?        18.54983 8.636067 ?              ?        
1 1 1 -7  37 25 o 38.25889 8.698338 87.72140       31.83442 101.2000       47.85250 77.02000       42.63858 38.19352 11.69923 33.81546 11.12713 4.378059       16.14574 
1 1 1 -7  37 26 o 28.11082 9.524766 48.57088       31.20612 70.54000       47.38078 31.74000       41.47146 32.08907 11.66557 25.28650 10.40608 6.802574       15.63240 
1 1 1 -7  37 27 o 25.02115 9.358501 35.60102       30.86425 108.1000       46.97034 -19.49000      40.94474 39.59743 11.46383 18.87472 8.840261 20.72271       14.47652 
1 1 1 -7  37 28 o 30.65688 9.480714 58.90945       31.33353 31.88000       46.79364 80.88000       42.18798 25.77046 10.86278 34.56422 11.04480 -8.793762      15.49153 
1 1 1 -7  37 29 o 28.92629 9.436542 52.18261       30.69522 51.62000       44.34798 52.70000       42.52835 28.59406 11.09018 28.76296 10.93510 -0.1688976     15.57461 
1 1 1 -7  37 30 o 35.26236 8.867743 76.22686       30.57312 48.70000       42.62257 105.4000       43.87862 27.97200 10.86582 39.51366 10.96113 -11.54166      15.43413 
1 1 1 -7  37 31 o 23.37953 9.074186 28.90994       29.70626 26.03000       41.72572 31.87000       42.30220 24.22325 10.23657 25.14837 10.44446 -0.9251137     14.62444 
1 1 1 -7  37 32 o 16.73364 7.740798 -12.76567      29.89546 3.733000       40.42506 -32.68000      44.41288 21.09073 9.457615 18.43639 8.801790 2.654341       12.91967 
1 1 1 -7  37 33 o 19.12769 8.424458 4.125214       30.65002 -5.530000      40.82300 16.60000       46.40241 20.10937 9.208268 23.52815 10.36399 -3.418789      13.86378 
1 1 1 -7  37 34 o 28.33505 11.04830 52.10000       44.19685 0.000000       0.000000 52.10000       44.19685 ?        ?        28.33505 11.04830 ?              ?        
1 1 1 -7  37 35 o 26.64162 10.86640 42.03000       44.71650 0.000000       0.000000 42.03000       44.71650 ?        ?        26.64162 10.86640 ?              ?        
1 1 1 -7  37 36 f 19.92135 9.085755 -3.031000      39.22769 -3.031000      39.22769 0.000000       0.000000 19.92135 9.085755 ?        ?        ?              ?        
1 1 1 -7  37 37 o 25.78313 9.227738 41.15894       29.50694 53.34000       40.58465 27.50000       42.97619 28.21546 10.69266 24.13474 10.30098 4.080725       14.84733 
1 1 1 -7  37 38 o 20.49631 8.574581 16.82784       28.81580 55.37000       39.79211 -25.67000      41.78423 28.39536 10.62502 18.07854 8.604723 10.31682       13.67232 
1 1 1 -7  37 39 o 17.93675 7.974042 2.772189       28.09044 1.303000       38.56842 4.432000       40.99421 19.88127 9.044831 20.64148 9.364792 -0.7602158     13.01954 
1 1 1 -7  37 40 o 22.25197 8.861006 27.24102       28.96620 -16.87000      39.81512 76.84000       42.21928 18.19587 8.583027 31.91881 11.07037 -13.72293      14.00791 
1 1 1 -7  38 1  o 78.62074 3.557340 310.4643       27.30500 296.7000       57.63765 314.4472       31.00490 72.99213 8.209390 78.83961 4.031102 -5.847481      9.145701 
1 1 1 -7  38 2  o 84.51479 3.482652 358.3039       28.74866 353.0000       60.76244 359.8336       32.63216 80.05331 7.855467 84.39494 3.961291 -4.341637      8.797737 
1 1 1 -7  38 3  o 56.35328 4.041721 161.0626       22.14614 163.8000       48.92645 160.3572       24.83607 52.66550 9.853085 55.95718 4.574293 -3.291679      10.86312 
1 1 1 -7  38 4  o 19.36575 6.980118 18.05599       16.91687 2.633000       42.05522 21.03331       18.47772 22.13534 9.803189 20.54734 7.307911 1.588001       12.22735 
1 1 1 -7  38 5  o 17.57892 6.823485 12.12144       16.79877 -12.05000      42.41335 16.61882       18.29494 20.54374 9.399176 19.21283 7.201237 1.330912       11.84071 
1 1 1 -7  38 6  o 34.31712 9.805248 70.94862       34.57714 89.16000       44.33429 42.67000       55.24557 37.49899 11.21366 29.19429 12.01198 8.304699       16.43271 
1 1 1 -7  38 7  o 52.41904 5.789278 144.7444       29.21002 218.1000       49.45617 105.4467       36.19822 62.30700 8.316701 42.60412 8.964540 19.70288       12.22827 
1 1 1 -7  38 8  o 19.87922 7.127699 19.41349       17.61341 34.60000       42.78368 16.31435       19.32723 26.72155 10.72570 19.32565 7.365869 7.395906       13.01140 
1 1 1 -7  38 9  o 42.32612 5.837007 95.01933       23.53955 0.000000       0.000000 95.01933       23.53955 ?        ?        42.32612 5.837007 ?              ?        
1 1 1 -7  38 10 o 13.52941 5.936934 -1.701549      15.09416 20.48000       42.69246 -4.870386      16.13634 24.51998 10.35785 13.35632 5.983371 11.16366       11.96185 
1 1 1 -7  38 11 o 19.77475 6.687775 20.17616       15.38452 45.01000       41.79103 16.28311       16.54651 28.38654 10.82842 18.70074 6.878581 9.685797       12.82847 
1 1 1 -7  38 12 o 41.37666 4.733276 88.62757       18.82550 70.74000       44.92604 92.43739       20.73359 33.32692 11.42564 42.06618 5.142191 -8.739258      12.52946 
1 1 1 -7  38 13 o 14.50468 6.179387 2.171149       15.41517 34.69000       41.25729 -3.105178      16.61878 26.44018 10.55978 13.88054 6.154138 12.55964       12.22221 
1 1 1 -7  38 14 o 33.29847 5.467533 58.93733       17.20262 61.57000       43.14307 58.43964       18.75832 31.38664 11.16631 32.87596 6.052146 -1.489321      12.70098 
1 1 1 -7  38 15 o 14.04102 6.038604 1.048188       14.97689 -6.571000      40.33426 2.266715       16.13011 20.43892 9.279298 14.77893 6.309387 5.659988       11.22113 
1 1 1 -7  38 16 o 61.91396 3.552694 193.4141       21.44003 197.2000       51.09475 192.6051       23.62009 57.80856 9.348748 61.57318 3.939747 -3.764622      10.14498 
1 1 1 -7  38 17 o 39.16364 6.116716 82.82840       22.68183 91.22000       44.86301 79.94686       26.28925 37.19949 11.31485 37.68790 7.390620 -0.4884148     13.51470 
1 1 1 -7  38 18 o 21.10419 6.926106 24.03969       16.52447 42.82000       42.95977 20.77853       17.90179 27.63521 10.85801 20.19345 7.191956 7.441767       13.02385 
1 1 1 -7  38 19 o 40.13884 5.795082 86.29286       22.10983 40.18000       45.66579 100.4123       25.26907 27.36739 11.04729 43.11473 6.162784 -15.74734      12.65000 
1 1 1 -7  38 20 o 19.75533 6.692888 20.56788       15.40839 -28.01000      42.99985 27.72444       16.50441 18.77408 8.875049 22.34320 6.875701 -3.569124      11.22683 
1 1 1 -7  38 21 o 28.90975 9.391491 51.16777       30.41966 39.36000       44.22589 61.77000       41.90747 26.86904 10.86256 30.82875 11.00124 -3.959715      15.46035 
1 1 1 -7  38 22 o 43.12669 10.75380 121.6000       45.23797 0.000000       0.000000 121.6000       45.23797 ?        ?        43.12669 10.75380 ?              ?        
1 1 1 -7  38 23 o 23.05011 9.923872 17.51000       40.53300 0.000000       0.000000 17.51000       40.53300 ?        ?        23.05011 9.923872 ?              ?        
1 1 1 -7  38 24 o 18.32303 8.105438 1.372723       28.66920 -14.25000      41.98595 15.02000       39.24178 19.57566 9.096173 22.42862 9.710740 -2.852961      13.30559 
1 1 1 -7  38 25 o 24.83158 9.249361 35.12360       30.08677 24.90000       45.39942 43.13000       40.17603 24.58953 10.54336 26.95875 10.52739 -2.369225      14.89928 
1 1 1 -7  38 26 o 28.16022 9.399727 49.04621       30.39798 46.83000       45.31096 50.86000       40.99134 27.83258 11.08278 28.42046 10.75161 -0.5878773     15.44102 
1 1 1 -7  38 27 o 41.25948 7.891815 99.35977       30.71083 121.9000       45.51441 80.52000       41.61095 42.73240 10.86035 34.31802 10.96931 8.414375       15.43610 
1 1 1 -7  38 28 o 46.99910 7.187927 125.0633       32.01818 110.1000       45.37698 139.9000       45.18473 40.12123 11.15314 46.74192 10.16606 -6.620693      15.09110 
1 1 1 -7  38 29 f 35.67879 8.732007 77.92567       30.24329 77.23000       42.94749 78.61000       42.59563 33.31371 11.17367 33.64890 11.12373 -0.3351974     15.76668 
1 1 1 -7  38 30 o 18.94587 8.256397 5.914065       28.75233 0.5201000      41.23139 11.02000       40.11544 20.82358 9.425210 21.88466 9.638338 -1.061073      13.48081 
1 1 1 -7  38 31 o 23.55799 10.12140 21.78000       41.99575 21.78000       41.99575 0.000000       0.000000 23.55799 10.12140 ?        ?        ?              ?        
1 1 1 -7  38 32 o 26.00390 9.315321 41.29989       30.07704 38.57000       42.23068 44.11000       42.84673 25.96246 10.57106 26.89172 10.75415 -0.9292603     15.07976 
1 1 1 -7  38 33 o 22.19894 9.751869 13.83000       40.82551 0.000000       0.000000 13.83000       40.82551 ?        ?        22.19894 9.751869 ?              ?        
1 1 1 -7  38 34 o 29.62640 9.304547 56.09927       30.05487 72.13000       42.29647 39.75000       42.71462 32.00902 11.08159 26.08872 10.62809 5.920305       15.35441 
1 1 1 -7  38 35 o 21.21715 8.675163 20.41813       28.58619 15.60000       39.76687 25.57000       41.12110 22.10226 9.669301 23.63617 10.08184 -1.533909      13.96922 
1 1 1 -7  38 36 o 32.90490 11.20907 79.56000       43.22491 0.000000       0.000000 79.56000       43.22491 ?        ?        32.90490 11.20907 ?              ?        
1 1 1 -7  38 37 o 26.77886 10.71836 48.08000       42.59988 0.000000       0.000000 48.08000       42.59988 ?        ?        26.77886 10.71836 ?              ?        
1 1 1 -7  38 38 o 30.40770 10.99865 68.59000       42.04786 68.59000       42.04786 0.000000       0.000000 30.40770 10.99865 ?        ?        ?              ?        
1 1 1 -7  39 1  f 33.56910 6.017787 60.71236       19.04709 67.50000       41.00599 58.84499       21.50815 32.78173 10.91674 32.56603 6.958556 0.2157021      12.94592 
1 1 1 -7  39 2  o 39.81351 5.237456 83.16487       19.91615 21.42000       42.01149 101.0638       22.61938 24.45164 10.29902 43.86477 5.380726 -19.41313      11.61990 
1 1 1 -7  39 3  o 16.63840 6.799878 7.904756       17.55315 -16.30000      39.84444 13.73359       19.55277 19.36729 8.951119 18.65471 7.326549 0.7125759      11.56723 
1 1 1 -7  39 4  o 47.71840 4.494032 117.0711       20.74361 67.69000       45.62853 129.9360       23.28947 32.60780 11.49457 50.12292 4.805781 -17.51512      12.45876 
1 1 1 -7  39 5  o 31.95096 11.50840 64.40000       45.97651 64.40000       45.97651 0.000000       0.000000 31.95096 11.50840 ?        ?        ?              ?        
1 1 1 -7  39 6  o 30.56236 6.306757 51.03722       18.24082 43.01000       42.79934 52.81893       20.16380 27.94134 10.87864 30.83798 6.857421 -2.896641      12.85959 
1 1 1 -7  39 7  o 39.48858 8.724357 91.20009       32.82170 0.000000       0.000000 91.20009       32.82170 ?        ?        39.48858 8.724357 ?              ?        
1 1 1 -7  39 8  o 28.89780 6.818166 46.54934       18.97219 0.000000       0.000000 46.54934       18.97219 ?        ?        28.89780 6.818166 ?              ?        
1 1 1 -7  39 9  o 15.55462 6.504480 4.951393       16.57118 30.95000       41.46260 0.9122124E-02  18.07777 25.66733 10.46563 15.03316 6.549089 10.63417       12.34585 
1 1 1 -7  39 10 o 31.77442 6.124556 54.94110       18.35780 85.32000       44.09333 48.57110       20.19095 36.09341 11.26041 29.37034 7.102029 6.723076       13.31299 
1 1 1 -7  39 11 o 37.38877 4.912857 73.12428       17.54506 47.52000       44.21313 77.90987       19.11450 28.62244 11.08093 38.46087 5.211308 -9.838432      12.24520 
1 1 1 -7  39 12 o 16.57056 6.586613 9.788883       15.97656 -0.2194000     41.38726 11.54144       17.31899 21.29424 9.557562 17.42698 6.879712 3.867264       11.77614 
1 1 1 -7  39 13 o 45.14137 4.309472 104.8491       18.81083 126.1000       45.45399 100.4574       20.66334 44.64986 10.56596 43.87307 4.894968 0.7767982      11.64475 
1 1 1 -7  39 14 o 32.92208 5.639670 58.23034       17.52045 27.80000       42.18929 64.57201       19.25974 25.08430 10.42526 34.56563 5.904317 -9.481329      11.98111 
1 1 1 -7  39 15 o 60.63727 4.616527 189.9155       27.19473 179.8000       50.05793 194.1510       32.39159 54.45963 9.748544 60.64631 5.516916 -6.186676      11.20136 
1 1 1 -7  39 16 o 41.25314 4.628884 88.52876       18.36927 17.53000       44.22606 103.3307       20.19351 23.80718 10.30831 44.56166 4.700336 -20.75449      11.32936 
1 1 1 -7  39 17 o 46.81608 5.159978 115.4521       23.25381 167.4000       47.34042 98.93208       26.69646 52.45181 9.573375 42.33764 6.661860 10.11418       11.66319 
1 1 1 -7  39 18 o 45.94457 4.706135 110.0966       20.86560 98.31000       46.10141 113.1331       23.39946 37.85921 11.46053 46.23170 5.264505 -8.372490      12.61185 
1 1 1 -7  39 19 o 32.45172 7.979462 62.13161       25.16635 48.75000       45.55322 68.01000       30.19217 28.20544 11.15042 33.21481 9.044629 -5.009371      14.35748 
1 1 1 -7  39 20 o 39.55577 4.375741 81.26431       16.65918 83.85000       46.67989 80.88692       17.83352 34.57715 11.64946 39.27477 4.734309 -4.697617      12.57472 
1 1 1 -7  39 21 o 28.26713 10.98423 50.20000       43.56824 0.000000       0.000000 50.20000       43.56824 ?        ?        28.26713 10.98423 ?              ?        
1 1 1 -7  39 22 o 29.77951 9.436721 55.84584       30.85049 37.45000       42.52233 76.29000       44.82723 26.07293 10.61069 33.08089 11.41038 -7.007957      15.58151 
1 1 1 -7  39 23 o 18.29425 8.072473 2.030253       28.26640 -30.73000      38.99829 38.29000       41.02838 17.39014 8.287139 26.13263 10.49851 -8.742489      13.37518 
1 1 1 -7  39 24 o 20.80080 8.578424 16.99957       28.26293 5.127000       39.22408 29.82000       40.75977 21.04962 9.386236 24.68995 10.25303 -3.640335      13.90057 
1 1 1 -7  39 25 o 20.22311 8.423429 14.80233       27.62998 12.86000       38.66138 16.83000       39.50155 21.88229 9.554338 22.55490 9.754122 -0.6726112     13.65387 
1 1 1 -7  39 26 o 35.06350 8.829217 75.75244       30.27980 88.27000       42.84362 63.26000       42.80063 35.67634 11.09491 30.47704 11.08625 5.199303       15.68444 
1 1 1 -7  39 27 o 24.00054 9.063456 32.46926       29.09965 59.95000       42.42245 8.048000       39.99131 29.79563 11.00447 21.44219 9.524461 8.353439       14.55382 
1 1 1 -7  39 28 o 16.53967 7.610458 -10.27188      28.35007 0.5886000      40.87426 -20.34000      39.35498 20.70634 9.377016 18.26822 8.591177 2.438116       12.71758 
1 1 1 -7  39 29 o 21.46684 8.793668 20.06690       29.44108 31.38000       42.29763 9.435000       41.00442 24.89340 10.39948 21.75080 9.653906 3.142599       14.18968 
1 1 1 -7  39 30 o 21.83219 9.711347 9.909000       41.72423 9.909000       41.72423 0.000000       0.000000 21.83219 9.711347 ?        ?        ?              ?        
1 1 1 -7  39 31 o 21.88869 8.865232 22.76529       29.51792 -31.39000      41.37139 78.92000       42.12819 17.68949 8.458804 33.38362 11.06353 -15.69413      13.92670 
1 1 1 -7  39 32 o 25.39321 10.41233 36.35000       41.32854 0.000000       0.000000 36.35000       41.32854 ?        ?        25.39321 10.41233 ?              ?        
1 1 1 -7  39 33 o 18.33199 8.036877 5.145716       27.60238 2.989000       38.43794 7.442000       39.66216 20.26605 9.143414 21.00815 9.398186 -0.7420998     13.11213 
1 1 1 -7  39 34 o 15.76780 7.326924 -12.39559      27.24343 33.59000       38.11110 -60.45000      38.95895 24.39094 9.999799 14.98981 7.393415 9.401127       12.43618 
1 1 1 -7  39 35 o 12.78012 6.279614 -43.59417      27.23448 -88.19000      37.28203 7.433000       39.87981 13.08955 6.575763 20.78269 9.350439 -7.693137      11.43116 
1 1 1 -7  39 36 o 16.67216 7.610726 -4.966985      27.60478 -25.62000      37.63275 19.09000       40.61578 16.97698 8.104246 22.21476 9.743785 -5.237783      12.67360 
1 1 1 -7  40 1  o 43.66310 4.824526 99.31514       20.27590 94.83000       41.69172 100.7046       23.20492 38.40248 10.69637 43.54657 5.571482 -5.144089      12.06042 
1 1 1 -7  40 2  o 47.92749 4.553965 118.7252       21.10752 59.47000       41.38798 139.5545       24.53850 30.67030 10.93413 51.78205 4.899578 -21.11175      11.98170 
1 1 1 -7  40 3  o 23.20284 9.765594 19.43000       37.72670 19.43000       37.72670 0.000000       0.000000 23.20284 9.765594 ?        ?        ?              ?        
1 1 1 -7  40 4  o 17.86913 7.128326 11.84957       18.77846 16.82000       38.46571 10.29433       21.51670 22.91451 9.761725 18.22703 7.497634 4.687477       12.30877 
1 1 1 -7  40 5  o 48.64153 4.319015 121.7036       20.34999 99.27000       42.56728 128.3497       23.16913 39.17326 10.76885 49.66805 4.826482 -10.49480      11.80098 
1 1 1 -7  40 6  o 14.10748 6.316968 -4.405780      17.96344 0.000000       0.000000 -4.405780      17.96344 ?        ?        14.10748 6.316968 ?              ?        
1 1 1 -7  40 7  o 16.93698 6.575389 11.60184       15.60137 -0.1124000     36.19238 14.27537       17.29029 20.11220 8.988930 18.12570 6.952435 1.986498       11.36386 
1 1 1 -7  40 8  o 21.64034 8.206750 23.02038       23.91758 30.14000       37.58617 18.17570       31.00506 24.86751 10.02804 21.80816 8.988503 3.059355       13.46680 
1 1 1 -7  40 9  o 21.41939 6.807345 25.13118       16.04367 34.34000       38.46453 23.19165       17.65253 25.68734 10.21688 20.87849 7.161878 4.808851       12.47707 
1 1 1 -7  40 10 o 39.25914 5.156741 81.35722       19.33764 45.38000       41.91873 91.08332       21.79534 27.84097 10.78653 41.35921 5.521572 -13.51825      12.11763 
1 1 1 -7  40 11 o 35.22234 5.552932 66.54240       18.51123 47.31000       41.50995 71.31654       20.68156 28.07671 10.77161 36.20640 6.048930 -8.129692      12.35383 
1 1 1 -7  40 12 o 32.93421 5.658425 58.57690       17.58389 28.26000       41.19300 65.33195       19.44444 24.80410 10.30449 34.66026 5.945302 -9.856159      11.89660 
1 1 1 -7  40 13 f 33.19671 5.645389 59.54846       17.68793 76.62000       41.86165 55.83820       19.51562 33.78045 11.02010 31.64946 6.516749 2.130993       12.80276 
1 1 1 -7  40 14 o 30.38938 6.095532 50.93837       17.50035 1.417000       40.34403 62.41618       19.42283 20.93454 9.412916 33.71021 6.111308 -12.77567      11.22279 
1 1 1 -7  40 15 o 34.19116 7.105869 66.60821       23.00418 64.60000       43.05561 67.41051       27.21418 30.98360 11.13977 33.54559 8.327017 -2.561989      13.90804 
1 1 1 -7  40 16 o 44.93391 5.496915 107.9916       23.67398 144.3000       45.39442 94.42722       27.74596 47.78889 10.02488 40.78778 7.213499 7.001114       12.35042 
1 1 1 -7  40 17 o 25.85060 8.400175 39.79596       24.33573 38.79000       40.83533 40.35000       30.30514 26.15888 10.48591 25.97213 9.344867 0.1867542      14.04567 
1 1 1 -7  40 18 o 32.75473 5.781197 58.60494       17.85783 29.08000       41.71494 65.22987       19.76003 24.63658 10.31242 34.40907 6.089692 -9.772482      11.97624 
1 1 1 -7  40 19 o 21.41004 8.148831 23.35268       23.63344 0.000000       0.000000 23.35268       23.63344 ?        ?        21.41004 8.148831 ?              ?        
1 1 1 -7  40 20 o 29.99633 11.03711 60.10000       42.60693 0.000000       0.000000 60.10000       42.60693 ?        ?        29.99633 11.03711 ?              ?        
1 1 1 -7  40 21 o 31.60850 9.203559 62.85155       30.19601 28.13000       42.36087 98.72000       43.05480 24.53551 10.33847 38.00693 10.96727 -13.47142      15.07199 
1 1 1 -7  40 22 o 28.86039 9.174266 52.33681       29.13869 36.22000       40.58685 69.48000       41.85928 25.54128 10.37675 31.70888 11.02164 -6.167595      15.13781 
1 1 1 -7  40 23 o 23.16676 8.879485 29.02934       28.18952 17.24000       39.15176 41.72000       40.62082 22.51915 9.724671 26.47871 10.50981 -3.959564      14.31870 
1 1 1 -7  40 24 o 23.69612 8.937270 31.57856       28.27486 28.82000       39.69404 34.42000       40.28592 24.22986 10.09462 25.16843 10.29556 -0.9385643     14.41874 
1 1 1 -7  40 25 o 28.48081 9.284806 51.26257       29.71859 47.95000       41.58584 54.72000       42.48547 27.51709 10.72051 28.73415 10.92830 -1.217054      15.30873 
1 1 1 -7  40 26 o 26.24586 9.253934 42.39740       29.57480 33.20000       41.32904 52.05000       42.33943 25.02685 10.35244 28.21423 10.86468 -3.187382      15.00714 
1 1 1 -7  40 27 o 19.66496 8.455297 10.20173       29.35028 8.069000       41.48066 12.34000       41.53451 21.59194 9.638629 22.11957 9.771786 -0.5276260     13.72556 
1 1 1 -7  40 28 o 21.31264 9.555018 6.804000       41.23714 6.804000       41.23714 0.000000       0.000000 21.31264 9.555018 ?        ?        ?              ?        
1 1 1 -7  40 29 o 25.47096 9.197689 39.73569       29.38978 29.24000       41.23738 50.57000       41.89732 24.24630 10.20761 27.73775 10.77349 -3.491455      14.84127 
1 1 1 -7  40 30 o 28.10172 10.90052 53.01000       42.84794 0.000000       0.000000 53.01000       42.84794 ?        ?        28.10172 10.90052 ?              ?        
1 1 1 -7  40 31 o 17.63200 7.885808 0.2635307      27.90503 -22.09000      38.23517 25.74000       40.81874 17.60986 8.337832 23.49002 10.03282 -5.880163      13.04519 
1 1 1 -7  40 32 o 17.90335 7.957918 2.488374       27.96560 16.82000       38.82196 -12.97000      40.31918 21.89214 9.566080 18.79909 8.794352 3.093048       12.99425 
1 1 1 -7  40 33 o 19.26791 8.308659 11.11067       28.49951 17.84000       39.49633 3.801000       41.16417 21.96192 9.621400 20.52008 9.338876 1.441841       13.40843 
1 1 1 -7  40 34 o 25.33285 9.171177 41.51120       29.24409 32.46000       40.03097 51.87000       42.82505 23.95133 10.06875 27.10420 10.78045 -3.152872      14.75120 
1 1 1 -7  41 1  o 11.45233 5.522051 -24.59003      18.48376 -20.51000      37.40788 -25.90793      21.26044 18.00872 8.439530 12.44798 5.981724 5.560741       10.34440 
1 1 1 -7  41 2  o 19.55471 7.444783 17.96995       19.72955 74.84000       38.51883 -2.256689      22.97170 33.78077 10.52235 16.18687 7.202662 17.59391       12.75140 
1 1 1 -7  41 3  o 22.06193 7.106834 27.11249       17.44199 42.54000       38.11607 23.02634       19.61631 26.90471 10.32190 20.94241 7.520458 5.962301       12.77102 
1 1 1 -7  41 4  o 18.17939 6.939978 14.86911       17.17428 11.84000       37.93352 15.65011       19.26147 21.85138 9.503510 18.83934 7.308259 3.012039       11.98864 
1 1 1 -7  41 5  o 47.91178 5.073671 120.9313       23.43305 0.000000       0.000000 120.9313       23.43305 ?        ?        47.91178 5.073671 ?              ?        
1 1 1 -7  41 6  o 19.37676 6.988916 19.08392       16.96307 -0.3551000     38.45008 23.78171       18.90197 20.34896 9.166043 21.05859 7.400315 -0.7096252     11.78054 
1 1 1 -7  41 7  o 48.82052 4.220436 122.9501       19.97028 125.7000       43.24639 122.2047       22.51454 44.37222 10.17450 48.29761 4.827056 -3.925396      11.26148 
1 1 1 -7  41 8  o 30.50533 6.047366 51.34397       17.41888 21.91000       39.08605 58.63856       19.45798 23.35589 9.890519 32.47615 6.348700 -9.120253      11.75280 
1 1 1 -7  41 9  o 51.07534 5.592743 139.7421       27.50371 161.3000       44.54294 126.4582       34.96538 51.48639 9.175012 46.63554 7.944255 4.850842       12.13639 
1 1 1 -7  41 10 o 29.67098 5.920717 48.46340       16.59247 44.62000       39.49089 49.28735       18.28472 27.13213 10.48096 29.62015 6.486643 -2.488024      12.32587 
1 1 1 -7  41 11 o 39.10851 5.682003 82.65884       21.11505 51.94000       41.60730 93.31442       24.50506 28.51027 10.82142 41.18409 6.276983 -12.67383      12.51014 
1 1 1 -7  41 12 o 66.00008 3.678830 221.8165       23.67219 189.0000       50.06379 231.2663       26.86517 55.18226 9.618132 67.07352 4.111727 -11.89126      10.46015 
1 1 1 -7  41 13 o 27.97594 6.550539 44.31498       17.61992 43.21000       40.71574 44.56960       19.54486 26.80417 10.55870 27.73855 7.152456 -0.9343796     12.75319 
1 1 1 -7  41 14 o 25.95122 6.694843 38.44415       17.11826 8.254000       40.96377 44.83172       18.84236 21.65964 9.629235 27.93021 6.926326 -6.270565      11.86154 
1 1 1 -7  41 15 o 21.91768 7.411560 26.91368       18.89468 72.04000       41.67709 15.23916       21.19834 32.33560 11.00671 19.02106 7.578384 13.31454       13.36336 
1 1 1 -7  41 16 o 36.33012 5.879448 72.09809       20.19398 1.950000       42.56375 92.47465       22.94021 21.22972 9.595826 41.24755 5.845451 -20.01783      11.23607 
1 1 1 -7  41 17 o 44.22467 4.491395 102.0043       19.17311 60.04000       43.46551 112.1424       21.36392 29.84657 11.11725 46.19534 4.794363 -16.34877      12.10699 
1 1 1 -7  41 18 o 24.48920 7.278980 34.88549       18.72446 0.000000       0.000000 34.88549       18.72446 ?        ?        24.48920 7.278980 ?              ?        
1 1 1 -7  41 19 o 44.29376 5.480754 105.5371       23.25586 48.01000       43.30703 128.8483       27.56798 27.55633 10.87883 48.64885 5.910415 -21.09251      12.38071 
1 1 1 -7  41 20 o 25.94620 9.162064 41.10950       28.99892 22.04000       40.62536 60.92000       41.40715 23.31478 9.984718 29.91312 10.90081 -6.598345      14.78250 
1 1 1 -7  41 21 o 28.23918 9.252103 50.48602       29.49225 31.34000       41.74770 69.56000       41.66910 24.74215 10.33363 31.56875 10.99514 -6.826599      15.08897 
1 1 1 -7  41 22 o 33.12100 9.119945 69.39804       30.50144 50.46000       42.76874 89.00000       43.51196 27.88982 10.87015 35.43365 11.20447 -7.543831      15.61090 
1 1 1 -7  41 23 o 39.19838 8.511228 93.46665       31.71840 69.15000       44.36148 118.9000       45.36866 31.21423 11.29626 41.55396 10.98801 -10.33973      15.75886 
1 1 1 -7  41 24 o 24.18166 9.134387 33.76803       29.56160 23.62000       41.53080 44.19000       42.08760 23.55531 10.09171 26.74681 10.67108 -3.191494      14.68723 
1 1 1 -7  41 25 o 35.23714 8.988399 78.32709       31.09650 97.01000       43.88702 59.49000       44.06772 36.85138 11.18744 29.26165 11.12970 7.589727       15.78065 
1 1 1 -7  41 26 o 15.94938 7.432113 -14.22743      28.34137 -6.913000      38.47958 -22.90000      41.90000 19.21575 8.850737 18.42114 8.723822 0.7946129      12.42741 
1 1 1 -7  41 27 o 40.11973 10.75180 111.0000       43.07619 111.0000       43.07619 0.000000       0.000000 40.11973 10.75180 ?        ?        ?              ?        
1 1 1 -7  41 28 o 21.81211 8.758229 23.93573       28.53795 16.17000       39.52848 32.39000       41.24364 22.02987 9.638890 24.50649 10.25570 -2.476625      14.07436 
1 1 1 -7  41 29 o 26.30828 10.62698 44.40000       42.28898 0.000000       0.000000 44.40000       42.28898 ?        ?        26.30828 10.62698 ?              ?        
1 1 1 -7  41 30 o 20.50513 8.533270 18.16682       28.31867 -0.6407000     38.92691 39.31000       41.27331 19.70714 9.011943 25.28757 10.39116 -5.580433      13.75468 
1 1 1 -7  41 31 o 20.04460 8.456450 16.15026       28.39753 -15.27000      39.02038 51.53000       41.40606 18.14830 8.540942 27.09940 10.65611 -8.951097      13.65651 
1 1 1 -7  41 32 o 17.61591 7.886820 1.734342       27.99033 -38.87000      38.38535 47.84000       40.90311 16.05725 7.793853 26.35691 10.51841 -10.29966      13.09126 
1 1 1 -7  42 1  o 19.35736 7.843789 15.01798       23.12048 0.000000       0.000000 15.01798       23.12048 ?        ?        19.35736 7.843789 ?              ?        
1 1 1 -7  42 2  o 26.38211 7.011578 40.18640       18.41434 27.53000       39.32306 43.74138       20.84064 24.07191 10.03952 27.25753 7.551412 -3.185627      12.56247 
1 1 1 -7  42 3  o 25.04323 8.171762 37.17152       23.01778 0.000000       0.000000 37.17152       23.01778 ?        ?        25.04323 8.171762 ?              ?        
1 1 1 -7  42 4  o 26.80182 7.437198 42.13436       20.19696 0.000000       0.000000 42.13436       20.19696 ?        ?        26.80182 7.437198 ?              ?        
1 1 1 -7  42 5  o 26.45114 6.959466 40.36173       18.25856 76.78000       41.07214 31.39199       20.38344 33.34523 10.91804 23.32430 7.694306 10.02093       13.35687 
1 1 1 -7  42 6  o 60.14325 3.870629 185.3240       22.66537 131.5000       47.42087 201.2607       25.80358 43.98577 11.03426 62.40211 4.249854 -18.41635      11.82439 
1 1 1 -7  42 7  o 38.28526 5.136991 78.21016       18.76536 46.73000       41.76680 86.17193       21.00475 27.34760 10.71778 39.97071 5.515565 -12.62310      12.05372 
1 1 1 -7  42 8  o 17.91023 6.769343 15.02761       16.24080 -41.48000      38.83519 27.00491       17.87934 16.41007 7.935037 21.88048 7.205658 -5.470409      10.71850 
1 1 1 -7  42 9  o 34.21096 7.713588 68.90392       25.21148 62.42000       41.93475 72.57413       31.55011 30.26705 10.97880 33.87894 9.254153 -3.611883      14.35874 
1 1 1 -7  42 10 o 17.48388 6.698253 13.70875       16.03621 55.86000       38.80066 5.025473       17.61067 29.11800 10.56078 15.70612 6.644420 13.41187       12.47711 
1 1 1 -7  42 11 f 16.45741 6.872973 7.192242       18.46577 27.75000       38.12717 0.8923400      21.10637 23.95809 9.929859 16.00861 7.022780 7.949474       12.16230 
1 1 1 -7  42 12 o 12.14052 5.732675 -16.07315      17.84661 15.80000       37.48578 -25.41501      20.29415 22.05079 9.518939 12.04881 5.803745 10.00198       11.14871 
1 1 1 -7  42 13 o 26.41945 6.891069 40.28000       18.00326 52.28000       40.48093 37.32135       20.10050 28.26097 10.68600 25.17395 7.555845 3.087019       13.08745 
1 1 1 -7  42 14 o 14.51600 6.435862 -1.622030      18.17506 -59.01000      39.05775 14.23935       20.53370 15.24807 7.497802 18.56978 7.438457 -3.321712      10.56161 
1 1 1 -7  42 15 o 54.01402 4.028388 150.3456       21.14488 153.6000       46.78742 149.5103       23.70367 48.71136 10.14285 53.48176 4.571774 -4.770397      11.12558 
1 1 1 -7  42 16 o 33.87926 6.373967 64.32777       20.36177 0.000000       0.000000 64.32777       20.36177 ?        ?        33.87926 6.373967 ?              ?        
1 1 1 -7  42 17 f 14.45466 6.410531 -1.619494      18.04525 0.000000       0.000000 -1.619494      18.04525 ?        ?        14.45466 6.410531 ?              ?        
1 1 1 -7  42 18 o 21.43230 7.068963 25.93299       17.20506 31.37000       42.29465 24.85488       18.83378 24.72088 10.36818 21.16817 7.390759 3.552715       12.73273 
1 1 1 -7  42 19 o 20.11551 7.720089 20.08530       21.32762 -23.08000      40.76434 36.35432       25.02613 18.22710 8.623873 24.64160 8.524415 -6.414501      12.12587 
1 1 1 -7  42 20 o 20.29707 8.568919 14.49499       29.19079 -2.341000      41.64926 30.75000       40.92432 20.37363 9.318622 24.47556 10.22741 -4.101927      13.83607 
1 1 1 -7  42 21 o 22.23017 8.889284 24.88064       29.27281 32.05000       41.52749 17.80000       41.26973 24.69629 10.30981 22.66308 9.883742 2.033211       14.28217 
1 1 1 -7  42 22 o 33.70123 9.083735 72.51461       30.63961 66.35000       42.49398 79.19000       44.21941 30.52508 11.05467 32.89487 11.33333 -2.369795      15.83193 
1 1 1 -7  42 23 o 19.05330 8.259371 8.485675       28.45796 35.85000       39.05500 -22.49000      41.55226 24.97334 10.16676 18.34154 8.686544 6.631802       13.37232 
1 1 1 -7  42 24 o 19.39475 8.319999 10.77292       28.29625 22.99000       38.70718 -3.250000      41.46935 22.93378 9.781827 20.12525 9.239796 2.808533       13.45578 
1 1 1 -7  42 25 o 16.88409 8.023462 -24.46000      36.04133 -24.46000      36.04133 0.000000       0.000000 16.88409 8.023462 ?        ?        ?              ?        
1 1 1 -7  42 26 o 32.19679 9.096293 67.34918       29.92616 92.15000       40.51149 37.56000       44.39913 35.98693 10.70920 25.30774 10.61922 10.67920       15.08160 
1 1 1 -7  42 27 f 25.43906 10.50066 40.04000       42.39894 0.000000       0.000000 40.04000       42.39894 ?        ?        25.43906 10.50066 ?              ?        
1 1 1 -7  42 28 o 20.53832 8.542950 18.84225       28.36323 3.566000       38.25107 37.50000       42.27318 19.94942 9.048922 24.87847 10.39510 -4.929047      13.78191 
1 1 1 -7  42 29 f 25.40016 9.177441 42.28159       29.26577 -6.561000      39.56384 101.3000       43.49035 18.98443 8.824327 36.53463 11.14596 -17.55020      14.21623 
1 1 1 -7  42 30 o 20.75180 8.577876 20.76806       28.34676 -10.33000      38.78712 56.42000       41.53004 18.44262 8.626959 27.69634 10.73479 -9.253721      13.77172 
1 1 1 -7  43 1  o 26.68172 7.465407 41.98722       20.25956 22.86000       38.18684 49.47995       23.90053 23.10107 9.779050 28.56607 8.148838 -5.465002      12.72923 
1 1 1 -7  43 2  o 17.15681 7.092131 9.323711       19.37846 0.000000       0.000000 9.323711       19.37846 ?        ?        17.15681 7.092131 ?              ?        
1 1 1 -7  43 3  o 49.05373 5.013658 127.5363       23.73495 0.000000       0.000000 127.5363       23.73495 ?        ?        49.05373 5.013658 ?              ?        
1 1 1 -7  43 4  o 31.12485 7.009231 55.92432       20.83896 0.000000       0.000000 55.92432       20.83896 ?        ?        31.12485 7.009231 ?              ?        
1 1 1 -7  43 5  o 41.66674 4.964971 92.20692       19.85154 65.63000       42.18499 99.76637       22.49833 30.66625 11.02645 43.01522 5.466774 -12.34896      12.30724 
1 1 1 -7  43 6  o 18.08838 7.090140 14.33618       18.28057 -1.593000      38.03572 19.12092       20.84608 19.79222 8.995646 19.80433 7.624237 -0.1210594E-01 11.79197 
1 1 1 -7  43 7  o 47.14446 4.399825 115.9428       20.06910 161.7000       44.22841 104.0786       22.52112 51.05693 9.187744 44.02451 5.334959 7.032417       10.62433 
1 1 1 -7  43 8  o 24.54880 6.878613 34.86320       17.18659 11.14000       38.34883 40.82561       19.22543 21.39759 9.423777 26.37897 7.231416 -4.981382      11.87859 
1 1 1 -7  43 9  o 16.63979 6.637151 10.69999       16.27790 22.91000       37.30523 7.828547       18.09098 22.92383 9.682885 16.43155 6.827751 6.492281       11.84806 
1 1 1 -7  43 10 o 16.86643 7.379958 2.654402       23.17385 -0.5004000     37.69944 4.570458       29.38008 19.84702 8.994899 18.74755 8.252893 1.099468       12.20731 
1 1 1 -7  43 11 o 14.75038 6.412302 1.420947       17.25351 -15.96000      38.42290 5.810789       19.30980 18.34252 8.582156 16.33159 6.935362 2.010927       11.03416 
1 1 1 -7  43 12 o 53.29807 5.538376 153.2399       28.47269 84.01000       45.62480 197.4000       36.43921 33.82045 11.51613 59.73219 6.328540 -25.91174      13.14046 
1 1 1 -7  43 13 o 25.74930 7.545169 39.40568       20.23808 61.73000       41.72062 32.53612       23.14335 29.80077 10.92898 23.54934 8.194689 6.251429       13.66000 
1 1 1 -7  43 14 o 37.28953 5.460581 75.36892       19.34056 87.19000       43.67472 72.48534       21.57090 34.78564 11.24939 35.96227 6.360597 -1.176624      12.92308 
1 1 1 -7  43 15 o 35.62981 6.340952 71.17050       21.30369 0.000000       0.000000 71.17050       21.30369 ?        ?        35.62981 6.340952 ?              ?        
1 1 1 -7  43 16 f 43.40348 4.783504 99.63629       19.98587 14.02000       44.84448 120.8564       22.32567 22.63375 10.06791 47.80086 4.838127 -25.16710      11.17006 
1 1 1 -7  43 17 o 35.38276 5.495242 68.12002       18.41480 62.65000       44.39436 69.25678       20.23800 29.75995 11.20430 35.30513 6.075390 -5.545181      12.74546 
1 1 1 -7  43 18 o 26.87961 6.827314 41.98634       17.99464 -6.246000      43.61577 51.88035       19.75425 20.20368 9.347356 29.90884 6.889668 -9.705162      11.61209 
1 1 1 -7  43 19 o 24.16957 9.157161 34.65838       29.76108 15.23000       41.47521 55.28000       42.72987 22.18420 9.784089 28.31348 10.91158 -6.129280      14.65575 
1 1 1 -7  43 20 o 23.54599 9.046958 31.98288       29.31181 5.383000       39.96791 62.94000       43.11733 20.74702 9.345288 29.65758 11.06755 -8.910564      14.48534 
1 1 1 -7  43 21 o 27.50795 9.161920 48.63980       28.88222 52.76000       39.09670 43.69000       42.85243 27.91911 10.51384 26.33899 10.67651 1.580112       14.98428 
1 1 1 -7  43 22 o 18.06844 8.005445 3.306664       28.07414 -21.96000      37.69999 34.76000       42.06304 17.44474 8.265435 24.79748 10.36582 -7.352739      13.25774 
1 1 1 -7  43 23 o 18.10858 8.075577 2.428803       29.04196 45.75000       37.77492 -60.19000      45.41566 26.35453 10.23155 16.40825 8.071593 9.946287       13.03209 
1 1 1 -7  43 24 o 19.16996 8.787376 -2.404000      37.30811 -2.404000      37.30811 0.000000       0.000000 19.16996 8.787376 ?        ?        ?              ?        
1 1 1 -7  43 25 o 22.58843 8.868981 29.26980       28.64515 39.03000       38.68325 17.42000       42.62349 24.91983 10.12818 22.16657 9.840313 2.753258       14.12132 
1 1 1 -7  43 26 o 16.62113 8.059553 -37.89000      40.78176 0.000000       0.000000 -37.89000      40.78176 ?        ?        16.62113 8.059553 ?              ?        
1 1 1 -7  43 27 f 16.12801 7.455071 -8.335656      27.65321 -3.702000      36.83483 -14.32000      41.86055 18.70136 8.630205 18.61547 8.786963 0.8589363E-01  12.31630 
1 1 1 -7  43 28 o 22.33575 9.633625 25.11000       38.32972 25.11000       38.32972 0.000000       0.000000 22.33575 9.633625 ?        ?        ?              ?        
1 1 1 -7  44 1  f 30.13838 7.362855 53.64186       21.53186 0.000000       0.000000 53.64186       21.53186 ?        ?        30.13838 7.362855 ?              ?        
1 1 1 -7  44 2  o 45.14423 5.148880 109.0148       22.34580 77.84000       41.03876 122.1529       26.64155 33.09222 10.91766 47.21864 5.892070 -14.12643      12.40612 
1 1 1 -7  44 3  o 11.23843 5.363883 -18.02952      16.46975 -1.646000      37.46215 -21.95482      18.33689 19.57817 8.909755 11.57542 5.560563 8.002747       10.50255 
1 1 1 -7  44 4  o 17.01692 6.812764 11.37037       17.21501 79.98000       39.33232 -4.887188      19.14629 33.84724 10.64614 14.24880 6.438583 19.59843       12.44169 
1 1 1 -7  44 5  o 18.27909 6.961847 15.97086       17.25712 50.17000       38.93932 7.612143       19.25088 27.57999 10.46863 16.66818 6.993149 10.91181       12.58953 
1 1 1 -7  44 6  o 15.85712 6.615957 6.825437       17.08641 -1.751000      39.30810 8.823433       18.97256 19.92269 9.089705 16.86062 6.997891 3.062069       11.47141 
1 1 1 -7  44 7  o 20.70057 7.481032 23.32664       19.44775 0.000000       0.000000 23.32664       19.44775 ?        ?        20.70057 7.481032 ?              ?        
1 1 1 -7  44 8  o 17.09380 6.818214 11.72348       17.17807 -48.07000      39.91906 25.31221       19.03018 16.06575 7.831794 21.24912 7.428497 -5.183367      10.79442 
1 1 1 -7  44 9  o 17.41549 7.015676 11.85322       18.37572 20.58000       40.83223 9.636966       20.57721 22.87328 9.904413 17.44875 7.268678 5.424532       12.28540 
1 1 1 -7  44 10 o 16.94473 7.441924 2.536290       23.76221 1.935000       41.42992 2.831059       29.00771 20.68548 9.396455 18.31659 8.125257 2.368898       12.42229 
1 1 1 -7  44 11 o 18.32610 7.321414 14.24081       19.83886 38.96000       41.30689 6.829253       22.61831 25.62029 10.44614 17.40126 7.451157 8.219030       12.83127 
1 1 1 -7  44 12 o 36.82114 6.435647 76.40749       22.35113 34.86000       43.54477 91.26958       26.04375 25.10570 10.52432 39.92401 6.914782 -14.81831      12.59268 
1 1 1 -7  44 13 o 16.42102 7.006389 5.804346       19.87037 0.000000       0.000000 5.804346       19.87037 ?        ?        16.42102 7.006389 ?              ?        
1 1 1 -7  44 14 o 18.98023 7.411565 17.04152       19.91293 0.000000       0.000000 17.04152       19.91293 ?        ?        18.98023 7.411565 ?              ?        
1 1 1 -7  44 15 o 33.18597 6.160904 61.87687       19.27608 78.28000       42.83667 57.71204       21.58495 32.61280 11.15749 31.30305 7.195469 1.309753       13.27646 
1 1 1 -7  44 16 o 47.81232 4.426469 119.9147       20.48073 79.27000       43.66559 131.3782       23.18979 32.66680 11.26182 49.75763 4.821721 -17.09083      12.25062 
1 1 1 -7  44 17 o 21.41429 7.733243 25.78656       20.77637 13.29000       39.13004 30.69263       24.51783 21.52868 9.498860 22.93476 8.383376 -1.406075      12.66923 
1 1 1 -7  44 18 o 20.96011 8.594161 20.34924       28.15372 28.20000       38.00371 10.80000       41.91356 23.44310 9.829949 21.56983 9.654489 1.873264       13.77814 
1 1 1 -7  44 19 o 17.01297 7.698900 -2.565488      27.49438 15.89000       36.98629 -25.36000      41.10486 21.41443 9.347657 17.80998 8.493012 3.604448       12.62972 
1 1 1 -7  44 20 o 19.57657 8.338166 13.46959       28.05547 -32.95000      37.35846 73.51000       42.48740 16.34404 7.873127 31.27686 11.08577 -14.93282      13.59707 
1 1 1 -7  44 21 o 26.96483 9.278284 48.31755       29.63378 80.12000       40.59027 12.02000       43.36410 32.79683 10.85937 21.64583 9.743577 11.15100       14.58983 
1 1 1 -7  44 22 o 16.70053 7.986767 -25.85000      36.90430 -25.85000      36.90430 0.000000       0.000000 16.70053 7.986767 ?        ?        ?              ?        
1 1 1 -7  44 23 o 27.30733 9.319280 50.77176       29.88083 60.89000       40.67541 38.91000       44.04068 28.48571 10.72470 24.82466 10.50496 3.661049       15.01244 
1 1 1 -7  44 24 o 19.04502 8.913361 -8.101000      41.49450 0.000000       0.000000 -8.101000      41.49450 ?        ?        19.04502 8.913361 ?              ?        
1 1 1 -7  44 25 o 24.31769 9.075078 38.83910       28.99048 33.52000       39.17290 45.28000       43.10624 23.57523 9.938274 25.45481 10.55500 -1.879580      14.49749 
1 1 1 -7  45 1  o 18.76314 7.911814 11.58236       24.83713 21.96000       39.42985 4.756192       31.97896 22.76486 9.794331 19.16564 8.514930 3.599222       12.97817 
1 1 1 -7  45 2  f 16.83221 6.870434 10.17373       17.89167 11.80000       40.16214 9.771071       19.98424 21.51428 9.551289 17.27352 7.176747 4.240763       11.94708 
1 1 1 -7  45 3  o 29.59245 7.193745 51.72350       20.63176 48.77000       42.17059 52.65292       23.65630 27.08353 10.72164 29.27717 8.019807 -2.193640      13.38921 
1 1 1 -7  45 4  o 23.37767 7.306369 32.26303       18.55513 -24.00000      41.64216 46.20120       20.72644 18.13729 8.620539 27.74949 7.467462 -9.612190      11.40512 
1 1 1 -7  45 5  o 21.70356 7.271935 27.17169       18.19105 22.45000       40.99645 28.32925       20.29880 22.95620 9.932325 22.10965 7.675692 0.8465519      12.55258 
1 1 1 -7  45 6  o 55.82336 4.159897 162.0285       22.56688 124.2000       47.68160 172.9478       25.61767 41.19845 11.42541 57.30906 4.605526 -16.11061      12.31872 
1 1 1 -7  45 7  o 32.34484 6.188506 59.00831       18.87923 88.77000       42.60913 51.73826       21.05923 34.77747 11.09838 29.46492 7.331490 5.312548       13.30130 
1 1 1 -7  45 8  o 9.622714 4.750445 -31.76081      16.20820 -48.14000      39.61373 -28.46746      17.76311 15.87966 7.754331 10.60979 5.183462 5.269864       9.327269 
1 1 1 -7  45 9  o 28.34735 7.154207 47.61477       19.84865 25.66000       42.27398 53.82348       22.48070 23.47605 10.12124 29.81577 7.661965 -6.339722      12.69430 
1 1 1 -7  45 10 o 20.71420 7.731073 23.30508       21.04048 0.000000       0.000000 23.30508       21.04048 ?        ?        20.71420 7.731073 ?              ?        
1 1 1 -7  45 11 o 20.41151 8.038301 20.80613       23.59200 38.93000       38.80888 10.18272       29.71240 25.23519 10.18503 19.44975 8.435297 5.785446       13.22457 
1 1 1 -7  45 12 o 20.37910 8.023148 20.74710       23.49697 0.000000       0.000000 20.74710       23.49697 ?        ?        20.37910 8.023148 ?              ?        
1 1 1 -7  45 13 o 26.92895 7.722088 44.27164       21.40830 44.42000       39.20279 44.20860       25.55525 26.11795 10.33809 26.41846 8.609741 -0.3005085     13.45376 
1 1 1 -7  45 14 o 29.62817 6.639698 50.96674       18.77781 60.84000       39.27036 48.04012       21.38048 29.09702 10.61392 28.08507 7.595869 1.011946       13.05192 
1 1 1 -7  45 15 o 36.39462 5.664447 73.26830       19.52274 22.72000       38.93909 90.24088       22.56351 22.51194 9.709762 40.26319 5.900256 -17.75125      11.36189 
1 1 1 -7  45 16 o 17.82581 6.999185 14.64727       17.84053 17.88000       37.19979 13.68163       20.33121 21.57868 9.397690 18.08474 7.345422 3.493938       11.92777 
1 1 1 -7  45 17 o 24.58546 9.032358 38.54287       28.51680 66.67000       38.27626 3.454000       42.75152 30.13516 10.53522 20.56392 9.418978 9.571247       14.13181 
1 1 1 -7  45 18 f 33.06548 8.966079 72.23657       29.74385 69.53000       40.20187 75.51000       44.21178 30.33219 10.78023 30.96786 11.26712 -0.6356640     15.59363 
1 1 1 -7  45 19 o 25.63097 9.163427 43.78831       29.08896 58.39000       39.73204 26.92000       42.70464 28.03072 10.58944 23.08298 10.06069 4.947737       14.60663 
1 1 1 -7  45 20 o 20.87072 9.274683 14.45000       37.96315 14.45000       37.96315 0.000000       0.000000 20.87072 9.274683 ?        ?        ?              ?        
1 1 1 -7  45 21 o 21.65035 8.767303 25.97662       28.86417 45.34000       37.64251 -1.656000      44.96752 25.56585 10.12687 20.12894 9.373644 5.436909       13.79923 
1 1 1 -7  46 1  o 24.47931 7.443491 36.06945       19.41734 35.68000       41.09796 36.18137       22.03137 24.69024 10.27782 24.32304 7.998131 0.3671932      13.02320 
1 1 1 -7  46 2  f 32.38319 8.033131 64.73436       25.33953 35.19000       39.10691 86.11505       33.26803 24.48838 10.09416 36.18735 9.331790 -11.69896      13.74679 
1 1 1 -7  46 3  o 22.02647 7.259668 28.44938       18.14704 16.98000       37.45335 31.96801       20.74473 21.59457 9.416742 23.09108 7.765891 -1.496510      12.20590 
1 1 1 -7  46 4  o 22.03931 7.577001 28.52443       19.76139 23.81000       37.59356 30.32450       23.22969 22.56292 9.632343 22.62949 8.176412 -0.6656265E-01 12.63470 
1 1 1 -7  46 5  o 16.22046 6.746449 8.257522       17.68668 0.6855000      37.34054 10.44770       20.08234 19.49008 8.879593 17.32871 7.196554 2.161366       11.42968 
1 1 1 -7  46 6  o 46.01883 4.687237 112.6061       20.81903 101.3000       42.98233 116.0716       23.79678 36.99746 11.03605 46.17741 5.364537 -9.179951      12.27081 
1 1 1 -7  46 7  o 25.93860 7.064507 40.20193       18.41754 23.50000       39.19098 44.93601       20.86509 22.59912 9.744195 27.10464 7.573390 -4.505518      12.34121 
1 1 1 -7  46 8  o 16.90442 6.910154 10.78057       18.13213 25.05000       36.77783 6.198359       20.84108 22.55587 9.574669 16.60755 7.132605 5.948326       11.93936 
1 1 1 -7  46 9  f 19.64318 7.009352 21.39425       17.01216 10.25000       37.65606 24.25212       19.06913 20.59653 9.189626 20.66162 7.415414 -0.6509972E-01 11.80837 
1 1 1 -7  46 10 o 21.28657 7.816016 26.03723       21.34871 0.000000       0.000000 26.03723       21.34871 ?        ?        21.28657 7.816016 ?              ?        
1 1 1 -7  46 11 o 24.87717 9.253827 40.12844       30.09628 0.000000       0.000000 40.12844       30.09628 ?        ?        24.87717 9.253827 ?              ?        
1 1 1 -7  46 12 o 28.02306 6.917369 46.80709       18.85794 45.00000       40.03632 47.32232       21.37793 25.73623 10.35980 27.64860 7.643683 -1.912369      12.87445 
1 1 1 -7  46 13 o 26.94257 8.637300 47.60891       25.78487 0.000000       0.000000 47.60891       25.78487 ?        ?        26.94257 8.637300 ?              ?        
1 1 1 -7  46 14 o 16.01365 6.769601 7.259329       18.25862 -0.2009000     36.93526 9.672000       21.00459 19.02676 8.729763 17.21063 7.267476 1.816135       11.35892 
1 1 1 -7  46 15 o 17.65193 7.262019 12.72820       20.18905 -14.39000      38.01245 23.38355       23.82755 17.75379 8.378141 20.61688 8.090672 -2.863092      11.64698 
1 1 1 -7  46 16 o 13.90989 6.728842 -29.95074      27.99777 -15.65000      36.17265 -51.32000      44.21766 17.22393 8.141592 16.29573 8.005931 0.9282074      11.41843 
1 1 1 -7  46 17 o 17.28617 7.810342 0.5440633      28.16602 -8.370000      37.18650 12.54000       43.13845 18.13160 8.470219 21.21983 9.618999 -3.088236      12.81678 
1 1 1 -7  46 18 o 23.02581 9.812267 31.44000       38.88682 31.44000       38.88682 0.000000       0.000000 23.02581 9.812267 ?        ?        ?              ?        
1 1 1 -7  47 1  f 25.51495 7.152802 39.62065       18.57928 60.62000       36.79622 32.43493       21.52462 28.66496 10.29922 22.92521 7.906763 5.739752       12.98425 
1 1 1 -7  47 2  o 20.37933 7.278020 23.93935       18.34508 10.46000       36.05634 28.64747       21.30940 20.13806 8.988205 21.84602 7.839100 -1.707962      11.92641 
1 1 1 -7  47 3  o 23.99062 8.444545 36.70078       24.61989 20.56000       37.51816 48.90773       32.62744 21.66028 9.435458 26.49800 9.673286 -4.837719      13.51297 
1 1 1 -7  47 4  o 22.74288 7.375065 31.50849       18.76402 8.254000       40.19476 37.98846       21.21791 20.45399 9.277072 24.58765 7.830118 -4.133657      12.13980 
1 1 1 -7  47 5  o 27.23045 7.539498 46.09817       20.78165 63.93000       39.34367 39.19778       24.47448 28.97247 10.61506 24.64089 8.433552 4.331581       13.55745 
1 1 1 -7  47 6  o 13.98464 6.266519 -1.950938      17.71252 25.82000       38.62541 -9.345908      19.93178 22.43316 9.673141 13.59037 6.298546 8.842797       11.54302 
1 1 1 -7  47 7  o 22.52601 7.603925 31.17090       19.88804 31.31000       38.79890 31.12132       23.16248 23.20120 9.840824 22.46109 8.157701 0.7401180      12.78241 
1 1 1 -7  47 8  o 18.82946 7.073911 19.13528       17.67544 -35.81000      37.92387 34.38317       19.97802 15.95803 7.745965 23.49371 7.609220 -7.535679      10.85819 
1 1 1 -7  47 9  o 20.94124 7.584650 26.01274       20.00420 0.000000       0.000000 26.01274       20.00420 ?        ?        20.94124 7.584650 ?              ?        
1 1 1 -7  47 10 o 29.84329 6.936821 53.66960       19.87741 -16.50000      40.20210 76.37444       22.86828 17.89318 8.494612 35.96060 6.744510 -18.06743      10.84651 
1 1 1 -7  47 11 o 21.37839 7.412845 27.51842       18.92972 19.08000       38.80061 30.15431       21.68563 21.41967 9.454433 22.14086 7.912311 -0.7211914     12.32846 
1 1 1 -7  47 12 o 24.47258 9.151320 40.48542       29.50953 47.18000       40.16143 32.63000       43.50429 25.48865 10.33438 23.42468 10.18271 2.063963       14.50817 
1 1 1 -6  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  3  o 109.0643 3.901800 584.6112       41.53266 584.6112       41.53266 584.6112       41.53266 109.0643 3.901800 109.0643 3.901800 -0.000000      0.000000 
1 1 1 -6  0  4  o 155.7063 4.808462 1190.672       73.12723 1190.672       73.12723 1190.672       73.12723 155.7063 4.808462 155.7063 4.808462 0.000000       0.000000 
1 1 1 -6  0  5  o 44.07967 4.130742 97.61761       17.44215 97.61761       17.44215 97.61761       17.44215 44.07967 4.130742 44.07967 4.130742 0.000000       0.000000 
1 1 1 -6  0  6  o 109.1223 3.983070 585.3649       42.41513 585.3649       42.41513 585.3649       42.41513 109.1223 3.983070 109.1223 3.983070 -0.000000      0.000000 
1 1 1 -6  0  7  o 283.1539 7.794833 3939.317       215.6705 3939.317       215.6705 3939.317       215.6705 283.1539 7.794833 283.1539 7.794833 -0.000000      0.000000 
1 1 1 -6  0  8  o 178.2843 5.339906 1560.894       92.99713 1560.894       92.99713 1560.894       92.99713 178.2843 5.339906 178.2843 5.339906 -0.000000      0.000000 
1 1 1 -6  0  9  o 262.1674 7.292861 3375.431       186.8195 3375.431       186.8195 3375.431       186.8195 262.1674 7.292861 262.1674 7.292861 0.000000       0.000000 
1 1 1 -6  0  10 o 146.7063 4.731467 1057.047       67.78372 1057.047       67.78372 1057.047       67.78372 146.7063 4.731467 146.7063 4.731467 -0.000000      0.000000 
1 1 1 -6  0  11 o 264.6188 7.366023 3437.661       190.4577 3437.661       190.4577 3437.661       190.4577 264.6188 7.366023 264.6188 7.366023 -0.000000      0.000000 
1 1 1 -6  0  12 o 188.6847 5.623797 1747.732       103.6568 1747.732       103.6568 1747.732       103.6568 188.6847 5.623797 188.6847 5.623797 0.000000       0.000000 
1 1 1 -6  0  13 o 285.4675 7.885684 4000.335       219.9644 4000.335       219.9644 4000.335       219.9644 285.4675 7.885684 285.4675 7.885684 0.000000       0.000000 
1 1 1 -6  0  14 o 416.4816 15.84845 8551.000       643.9561 8551.000       643.9561 8551.000       643.9561 416.4816 15.84845 416.4816 15.84845 -0.000000      0.000000 
1 1 1 -6  0  15 o 306.8430 11.97263 4637.000       358.3480 4637.000       358.3480 4637.000       358.3480 306.8430 11.97263 306.8430 11.97263 0.000000       0.000000 
1 1 1 -6  0  16 o 29.21560 12.75832 59.96000       37.92555 59.96000       37.92555 59.96000       37.92555 29.21560 12.75832 29.21560 12.75832 -0.000000      0.000000 
1 1 1 -6  0  17 o 10.30842 7.162985 -22.87792      25.47373 -22.87792      25.47373 -22.87792      25.47373 10.30842 7.162985 10.30842 7.162985 0.000000       0.000000 
1 1 1 -6  0  18 o 434.7630 11.62978 9289.148       494.1141 9289.148       494.1141 9289.148       494.1141 434.7630 11.62978 434.7630 11.62978 -0.000000      0.000000 
1 1 1 -6  0  19 o 306.3444 11.97873 4625.000       357.9425 4625.000       357.9425 4625.000       357.9425 306.3444 11.97873 306.3444 11.97873 -0.000000      0.000000 
1 1 1 -6  0  20 o 28.31882 13.12138 57.44000       40.18872 57.44000       40.18872 57.44000       40.18872 28.31882 13.12138 28.31882 13.12138 -0.000000      0.000000 
1 1 1 -6  0  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  0  23 o 525.2985 13.98311 13612.14       717.8272 13612.14       717.8272 13612.14       717.8272 525.2985 13.98311 525.2985 13.98311 0.000000       0.000000 
1 1 1 -6  0  24 f 317.6649 8.731444 4962.577       271.0311 4962.577       271.0311 4962.577       271.0311 317.6649 8.731444 317.6649 8.731444 -0.000000      0.000000 
1 1 1 -6  0  25 o 212.2194 6.261263 2213.100       129.8065 2213.100       129.8065 2213.100       129.8065 212.2194 6.261263 212.2194 6.261263 -0.000000      0.000000 
1 1 1 -6  0  26 o 178.1637 8.025672 1567.000       139.3124 1567.000       139.3124 1567.000       139.3124 178.1637 8.025672 178.1637 8.025672 -0.000000      0.000000 
1 1 1 -6  0  27 o 211.6315 6.255836 2201.528       129.3337 2201.528       129.3337 2201.528       129.3337 211.6315 6.255836 211.6315 6.255836 0.000000       0.000000 
1 1 1 -6  0  28 f 211.9519 6.264790 2208.517       129.7150 2208.517       129.7150 2208.517       129.7150 211.9519 6.264790 211.9519 6.264790 -0.000000      0.000000 
1 1 1 -6  0  29 o 191.1418 5.838050 1796.198       108.9961 1796.198       108.9961 1796.198       108.9961 191.1418 5.838050 191.1418 5.838050 0.000000       0.000000 
1 1 1 -6  0  30 o 163.7216 5.327711 1318.067       85.17432 1318.067       85.17432 1318.067       85.17432 163.7216 5.327711 163.7216 5.327711 0.000000       0.000000 
1 1 1 -6  0  31 o 210.4141 6.273108 2177.770       128.9403 2177.770       128.9403 2177.770       128.9403 210.4141 6.273108 210.4141 6.273108 -0.000000      0.000000 
1 1 1 -6  0  32 o 61.62298 5.763217 191.0731       34.02381 191.0731       34.02381 191.0731       34.02381 61.62298 5.763217 61.62298 5.763217 -0.000000      0.000000 
1 1 1 -6  0  33 o 109.9307 4.765579 595.7903       51.05935 595.7903       51.05935 595.7903       51.05935 109.9307 4.765579 109.9307 4.765579 0.000000       0.000000 
1 1 1 -6  0  34 o 201.5564 6.125004 2000.214       120.5868 2000.214       120.5868 2000.214       120.5868 201.5564 6.125004 201.5564 6.125004 -0.000000      0.000000 
1 1 1 -6  0  35 o 117.3450 4.843944 678.9628       55.42176 678.9628       55.42176 678.9628       55.42176 117.3450 4.843944 117.3450 4.843944 0.000000       0.000000 
1 1 1 -6  0  36 o 107.6762 7.257712 578.7000       75.68360 578.7000       75.68360 578.7000       75.68360 107.6762 7.257712 107.6762 7.257712 -0.000000      0.000000 
1 1 1 -6  0  37 o 135.1093 7.425808 908.6000       97.52252 908.6000       97.52252 908.6000       97.52252 135.1093 7.425808 135.1093 7.425808 0.000000       0.000000 
1 1 1 -6  0  38 o 41.40324 8.885440 95.48199       31.61383 95.48199       31.61383 95.48199       31.61383 41.40324 8.885440 41.40324 8.885440 -0.000000      0.000000 
1 1 1 -6  0  39 f 9.389236 6.822865 -74.61000      35.17426 -74.61000      35.17426 -74.61000      35.17426 9.389236 6.822865 9.389236 6.822865 0.000000       0.000000 
1 1 1 -6  0  40 o 83.54386 7.078475 352.8000       56.89156 352.8000       56.89156 352.8000       56.89156 83.54386 7.078475 83.54386 7.078475 0.000000       0.000000 
1 1 1 -6  0  41 o 140.2360 5.129205 973.2286       70.19296 973.2286       70.19296 973.2286       70.19296 140.2360 5.129205 140.2360 5.129205 -0.000000      0.000000 
1 1 1 -6  0  42 o 17.42425 10.30480 17.83319       30.25011 17.83319       30.25011 17.83319       30.25011 17.42425 10.30480 17.42425 10.30480 0.000000       0.000000 
1 1 1 -6  0  43 o 85.78916 5.160764 367.2319       42.97367 367.2319       42.97367 367.2319       42.97367 85.78916 5.160764 85.78916 5.160764 0.000000       0.000000 
1 1 1 -6  0  44 o 83.19183 5.190976 345.8768       41.88877 345.8768       41.88877 345.8768       41.88877 83.19183 5.190976 83.19183 5.190976 0.000000       0.000000 
1 1 1 -6  0  45 o 17.85434 10.54962 19.36786       31.65339 19.36786       31.65339 19.36786       31.65339 17.85434 10.54962 17.85434 10.54962 -0.000000      0.000000 
1 1 1 -6  0  46 o 95.87464 5.238375 459.2540       48.82169 459.2540       48.82169 459.2540       48.82169 95.87464 5.238375 95.87464 5.238375 0.000000       0.000000 
1 1 1 -6  0  47 o 64.81704 6.181721 214.9843       38.34922 214.9843       38.34922 214.9843       38.34922 64.81704 6.181721 64.81704 6.181721 0.000000       0.000000 
1 1 1 -6  0  48 o 82.57278 5.491974 343.8534       43.93129 343.8534       43.93129 343.8534       43.93129 82.57278 5.491974 82.57278 5.491974 -0.000000      0.000000 
1 1 1 -6  0  49 o 30.02310 11.67413 63.81319       32.67257 63.81319       32.67257 63.81319       32.67257 30.02310 11.67413 30.02310 11.67413 -0.000000      0.000000 
1 1 1 -6  0  50 o 45.35569 8.760265 115.4752       34.71185 115.4752       34.71185 115.4752       34.71185 45.35569 8.760265 45.35569 8.760265 0.000000       0.000000 
1 1 1 -6  0  51 o 17.11119 10.39643 16.70550       32.46283 16.70550       32.46283 16.70550       32.46283 17.11119 10.39643 17.11119 10.39643 0.000000       0.000000 
1 1 1 -6  0  52 o 25.09722 13.96335 51.97000       50.78130 51.97000       50.78130 51.97000       50.78130 25.09722 13.96335 25.09722 13.96335 0.000000       0.000000 
1 1 1 -6  0  53 o 27.74338 12.09956 58.83769       34.11357 58.83769       34.11357 58.83769       34.11357 27.74338 12.09956 27.74338 12.09956 0.000000       0.000000 
1 1 1 -6  0  54 o 32.94207 14.18381 85.52000       46.93754 85.52000       46.93754 85.52000       46.93754 32.94207 14.18381 32.94207 14.18381 0.000000       0.000000 
1 1 1 -6  0  55 o 27.30520 11.83628 57.21413       32.66246 57.21413       32.66246 57.21413       32.66246 27.30520 11.83628 27.30520 11.83628 0.000000       0.000000 
1 1 1 -6  0  56 o 36.47139 11.21342 87.12667       35.00301 87.12667       35.00301 87.12667       35.00301 36.47139 11.21342 36.47139 11.21342 -0.000000      0.000000 
1 1 1 -6  0  57 o 41.67244 14.26715 124.1000       52.26829 124.1000       52.26829 124.1000       52.26829 41.67244 14.26715 41.67244 14.26715 0.000000       0.000000 
1 1 1 -6  0  58 o 16.87183 10.33056 16.83795       32.60261 16.83795       32.60261 16.83795       32.60261 16.87183 10.33056 16.87183 10.33056 0.000000       0.000000 
1 1 1 -6  0  59 o 20.55576 11.35078 34.16768       33.26643 34.16768       33.26643 34.16768       33.26643 20.55576 11.35078 20.55576 11.35078 0.000000       0.000000 
1 1 1 -6  0  60 o 14.64288 9.534759 2.620211       33.05841 2.620211       33.05841 2.620211       33.05841 14.64288 9.534759 14.64288 9.534759 0.000000       0.000000 
1 1 1 -6  0  61 o 30.40037 11.92209 68.65823       33.96178 68.65823       33.96178 68.65823       33.96178 30.40037 11.92209 30.40037 11.92209 0.000000       0.000000 
1 1 1 -6  0  62 o 36.55426 10.89988 87.69307       33.94577 87.69307       33.94577 87.69307       33.94577 36.55426 10.89988 36.55426 10.89988 0.000000       0.000000 
1 1 1 -6  0  63 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  1  1  o 160.1619 3.435269 1256.127       53.85502 1252.536       76.16098 1259.718       76.16401 159.8143 4.874372 160.2732 4.860545 -0.4588776     6.883633 
1 1 1 -6  1  2  o 271.3115 6.100626 3609.017       162.0126 4234.000       312.3224 3378.929       189.5028 293.0927 10.90561 262.3081 7.388062 30.78455       13.17254 
1 1 1 -6  1  3  o 234.4935 4.645290 2694.113       106.6227 2671.195       150.0617 2717.479       151.5236 233.2729 6.578594 235.2861 6.585750 -2.013168      9.308599 
1 1 1 -6  1  4  o 304.9057 5.860135 4558.294       174.8958 4546.158       246.8931 4570.519       247.7894 304.1076 8.301984 304.9207 8.309878 -0.8130188     11.74636 
1 1 1 -6  1  5  o 193.9365 3.986110 1842.370       75.66848 1791.299       105.2304 1897.051       108.8860 191.0634 5.632901 196.6244 5.663450 -5.560974      7.987755 
1 1 1 -6  1  6  o 219.9927 4.416023 2371.212       95.09238 2352.462       133.8051 2390.347       135.1672 218.9118 6.250894 220.6675 6.264211 -1.755692      8.849521 
1 1 1 -6  1  7  f 263.3116 5.149502 3398.127       132.7215 3387.843       187.3842 3408.480       188.0105 262.6226 7.296521 263.4216 7.298662 -0.7990112     10.32035 
1 1 1 -6  1  8  o 238.7083 4.736186 2791.821       110.6630 2825.667       157.7332 2759.013       155.2975 239.9239 6.723135 237.0776 6.698895 2.846298       9.490825 
1 1 1 -6  1  9  o 165.0843 3.572381 1334.503       57.72577 1336.011       81.70540 1333.000       81.56791 165.0558 5.063231 164.8697 5.060423 0.1861267      7.158504 
1 1 1 -6  1  10 o 156.7926 3.465585 1203.667       53.18734 1186.692       74.66117 1221.160       75.78801 155.5734 4.909045 157.8187 4.912076 -2.245224      6.944581 
1 1 1 -6  1  11 o 66.52289 2.920994 217.0500       18.97352 249.2664       27.43160 187.5015       26.27122 71.24134 3.949259 61.72470 4.376640 9.516636       5.895051 
1 1 1 -6  1  12 f 136.3595 3.241908 910.2495       43.27055 928.7490       61.74709 892.3986       60.65511 137.6438 4.589456 134.9198 4.599610 2.724060       6.497655 
1 1 1 -6  1  13 o 430.1599 9.350376 9074.530       393.6999 8977.348       478.5720 9278.000       692.4747 427.4809 11.44763 433.7454 16.33955 -6.264496      19.95066 
1 1 1 -6  1  14 o 42.24233 4.923917 88.56597       19.97810 94.14340       24.16769 76.53000       35.50249 43.45437 5.828791 38.73473 9.449210 4.719639       11.10236 
1 1 1 -6  1  15 o 509.7715 13.52939 12784.24       674.4907 12700.00       949.6610 12870.00       958.1433 506.7702 19.17944 510.1436 19.22248 -3.373383      27.15427 
1 1 1 -6  1  16 f 266.8919 6.074465 3489.459       158.6901 3555.000       278.5401 3457.963       193.0916 268.9195 10.60257 265.5184 7.436873 3.401093       12.95074 
1 1 1 -6  1  17 o 441.7345 9.607131 9574.053       415.3950 9534.000       717.7291 9594.227       509.3772 439.3764 16.71901 441.7623 11.79052 -2.385925      20.45829 
1 1 1 -6  1  18 o 185.5693 4.611793 1686.410       83.76876 1626.000       141.5285 1718.985       103.9287 181.9278 7.966966 187.2367 5.677279 -5.308853      9.782845 
1 1 1 -6  1  19 f 366.3408 8.067708 6582.639       289.2955 6330.000       487.3044 6720.138       359.5017 358.2007 13.92501 369.8050 9.940678 -11.60428      17.10915 
1 1 1 -6  1  20 o 95.67892 3.754320 448.9704       35.09215 454.8238       43.00120 437.3000       60.71856 96.25303 4.577265 94.21275 6.626505 2.040283       8.053690 
1 1 1 -6  1  21 o 259.0711 5.946380 3290.114       150.7918 3232.458       182.5386 3414.000       267.5748 256.5866 7.275337 263.2667 10.40397 -6.680054      12.69540 
1 1 1 -6  1  22 f 250.1050 5.007468 3065.412       122.5876 3026.464       172.1184 3105.510       174.6393 248.2476 7.090572 251.4698 7.102070 -3.222229      10.03572 
1 1 1 -6  1  23 o 376.4201 7.172459 6956.036       264.2695 6904.336       371.7711 7008.841       375.7274 374.3045 10.15654 377.1207 10.18789 -2.816132      14.38570 
1 1 1 -6  1  24 o 193.1696 4.745520 1829.012       89.72819 1821.075       109.7629 1845.000       155.7870 192.5878 5.829358 193.5420 8.242237 -0.9541931     10.09534 
1 1 1 -6  1  25 o 318.8068 7.129748 4992.991       222.4887 4882.000       379.9805 5050.896       274.4561 313.8217 12.39445 320.2261 8.764325 -6.404480      15.18011 
1 1 1 -6  1  26 o 180.4462 3.938741 1595.600       69.56828 1581.427       98.01198 1609.991       98.76109 179.4413 5.587018 181.0570 5.579342 -1.615692      7.895810 
1 1 1 -6  1  27 o 150.8134 4.115685 1115.667       60.69907 1196.000       107.8909 1078.465       73.42056 155.8157 7.092637 148.1886 5.069165 7.627029       8.717909 
1 1 1 -6  1  28 o 117.2078 3.821784 674.0005       43.78727 674.8851       53.47172 672.2000       76.29034 117.2137 4.669922 116.7529 6.703866 0.4608307      8.170068 
1 1 1 -6  1  29 o 319.7375 6.202143 5023.187       194.1072 5043.986       275.4053 5002.655       273.6214 319.6396 8.810895 318.3329 8.789784 1.306671       12.44557 
1 1 1 -6  1  30 o 285.8657 5.625844 4013.448       157.4186 4089.035       225.4237 3941.504       219.9251 287.9220 8.006456 282.6901 7.955914 5.231873       11.28716 
1 1 1 -6  1  31 o 230.0613 4.724833 2597.431       106.3987 2623.995       151.5877 2571.636       149.3776 230.8192 6.716574 228.5094 6.685631 2.309814       9.476815 
1 1 1 -6  1  32 o 225.2279 4.650221 2489.842       102.5184 2458.218       143.9048 2522.432       146.0857 223.3741 6.588873 226.2721 6.602910 -2.897949      9.328005 
1 1 1 -6  1  33 o 109.9667 3.368439 593.4141       36.21458 614.3853       51.85445 573.4462       50.59894 111.7492 4.751466 107.9490 4.800698 3.800224       6.754489 
1 1 1 -6  1  34 o 181.2928 4.029815 1613.128       71.51084 1628.964       101.7887 1597.694       100.4870 181.8299 5.726244 180.0783 5.708097 1.751587       8.085311 
1 1 1 -6  1  35 o 76.77272 4.306477 290.4644       32.23227 269.5608       38.25727 341.6000       59.83621 73.81004 5.331247 82.74652 7.467970 -8.936485      9.175662 
1 1 1 -6  1  36 o 106.6402 4.073808 559.6334       42.44518 606.4757       52.42505 470.5000       72.31691 110.8973 4.841270 97.06193 7.674157 13.83539       9.073620 
1 1 1 -6  1  37 o 21.16657 8.273832 13.78248       24.83675 -12.71000      46.47136 24.37561       29.38571 23.32620 10.31907 24.74260 9.155102 -1.416393      13.79489 
1 1 1 -6  1  38 f 79.40889 5.100598 312.6663       39.43608 0.000000       0.000000 312.6663       39.43608 ?        ?        79.40889 5.100598 ?              ?        
1 1 1 -6  1  39 o 104.9029 3.929655 542.7337       40.27909 462.2000       65.24446 592.3300       51.20113 95.98409 6.992417 109.3971 4.793173 -13.41298      8.477524 
1 1 1 -6  1  40 o 54.29422 5.201321 147.4037       27.30464 154.3779       33.88945 134.5000       46.09720 55.28816 6.379014 50.56541 9.665755 4.722748       11.58096 
1 1 1 -6  1  41 o 77.62022 4.268085 298.6802       32.30274 296.2951       40.08191 303.1000       54.56296 77.02953 5.349231 77.26241 7.301390 -0.2328796     9.051219 
1 1 1 -6  1  42 o 38.81432 6.201308 77.17596       22.76780 67.74284       32.25903 86.53866       32.13836 35.64518 9.187750 40.52222 8.379444 -4.877041      12.43502 
1 1 1 -6  1  43 o 37.87212 6.415509 73.93608       22.93435 81.98417       32.88213 66.31219       32.00382 39.22606 8.783067 35.18735 9.192624 4.038712       12.71403 
1 1 1 -6  1  44 o 52.40344 4.762172 137.6539       24.16055 134.2715       34.17067 141.0352       34.16570 51.05604 7.023452 52.41800 6.820505 -1.361958      9.790208 
1 1 1 -6  1  45 o 16.56553 7.211202 -2.388065      21.88286 20.89170       30.74963 -26.27541      31.14831 23.78457 9.231952 16.66169 7.773155 7.122885       12.06859 
1 1 1 -6  1  46 o 27.52691 8.078306 40.10241       23.18404 25.95303       32.42333 54.90524       33.16356 25.08310 9.545177 31.91732 9.732281 -6.834213      13.63186 
1 1 1 -6  1  47 o 16.93080 7.340326 -1.049345      22.48355 10.02444       32.25612 -11.51377      31.35607 21.87899 9.106283 18.36070 8.273311 3.518284       12.30334 
1 1 1 -6  1  48 o 78.14752 3.939053 305.0372       30.03382 344.4271       43.21909 268.2505       41.76661 82.34299 5.391860 72.33677 5.951396 10.00622       8.030644 
1 1 1 -6  1  49 o 56.91759 4.688355 163.9867       25.88861 159.0199       36.85604 168.8241       36.37280 54.95045 7.011731 56.82655 6.665679 -1.876099      9.674484 
1 1 1 -6  1  50 o 19.57171 7.809165 12.70023       22.54164 40.58084       32.22964 -13.99824      31.53897 27.71147 9.668722 17.87209 8.149472 9.839382       12.64508 
1 1 1 -6  1  51 o 37.33446 7.924675 76.62815       28.06312 49.38522       33.54145 140.2000       51.23744 29.78757 9.871843 48.72790 11.00358 -18.94033      14.78283 
1 1 1 -6  1  52 o 37.11923 6.974105 74.34535       24.40912 80.49306       34.37003 68.08938       34.67136 37.40944 9.399256 34.23243 9.830577 3.177002       13.60097 
1 1 1 -6  1  53 o 43.85226 8.477103 107.6632       35.07040 0.000000       0.000000 107.6632       35.07040 ?        ?        43.85226 8.477103 ?              ?        
1 1 1 -6  1  54 o 57.55938 4.788251 169.6356       26.73326 177.7621       38.72237 162.2349       36.95274 57.53212 7.021446 54.92648 7.034457 2.605640       9.939029 
1 1 1 -6  1  55 o 30.19586 8.615852 52.44784       26.71535 55.50701       32.94184 46.57000       45.66205 30.70810 9.753792 29.23261 11.27607 1.475492       14.90926 
1 1 1 -6  1  56 o 50.39331 6.122203 134.6822       29.57982 142.6040       37.21948 121.1000       48.73521 50.77099 7.733326 43.88919 11.28265 6.881798       13.67855 
1 1 1 -6  1  57 o 23.27353 8.118083 28.69509       22.71996 -5.386538      31.73610 64.52692       32.54078 18.63753 8.366899 32.85679 9.550520 -14.21926      12.69714 
1 1 1 -6  1  58 o 42.46893 6.136979 96.39973       24.77232 120.0568       35.17489 73.11964       34.89352 46.16337 8.078587 34.75287 9.823571 11.41050       12.71873 
1 1 1 -6  1  59 o 31.33122 7.900883 56.01799       24.22194 45.74192       33.87665 66.76630       34.64632 28.14806 9.905850 33.14941 9.913038 -5.001354      14.01407 
1 1 1 -6  1  60 o 20.83304 8.055467 19.29630       23.34454 -10.10513      32.68081 49.92870       33.35793 18.20535 8.299221 28.99781 9.847447 -10.79247      12.87825 
1 1 1 -6  1  61 o 47.32345 5.517703 118.2566       25.07987 125.3735       35.56875 111.2194       35.36869 46.95919 8.026365 43.75896 8.564198 3.200230       11.73746 
1 1 1 -6  1  62 o 34.68585 8.378345 70.95989       28.12348 77.25726       34.85960 59.22000       47.59647 35.18497 9.773507 30.44256 11.56958 4.742418       15.14519 
1 1 1 -6  1  63 o 28.36575 9.827153 49.85738       33.26502 57.48000       46.76469 42.05000       47.32806 29.78857 11.43189 27.33775 11.16826 2.450821       15.98181 
1 1 1 -6  2  1  o 604.9878 13.06712 18065.55       773.8069 20290.00       1456.743 17191.18       913.3127 634.8090 23.48459 588.7853 15.86179 46.02368       28.33941 
1 1 1 -6  2  2  o 363.2708 6.893280 6474.403       245.1109 6387.873       343.9296 6563.714       349.4138 360.2626 9.762129 365.1865 9.783866 -4.923889      13.82111 
1 1 1 -6  2  3  o 332.7166 7.337665 5433.314       238.9673 5789.000       432.4460 5276.956       286.7206 342.1706 12.93498 327.5458 8.951338 14.62476       15.73023 
1 1 1 -6  2  4  o 259.0414 5.854176 3290.228       148.4366 3288.000       257.1388 3291.341       181.7832 258.2671 10.19168 258.8646 7.181162 -0.5975342     12.46754 
1 1 1 -6  2  5  o 283.0794 5.483117 3928.547       151.9295 4011.531       217.8625 3849.984       211.9797 285.7001 7.797801 279.8919 7.744892 5.808167       10.99041 
1 1 1 -6  2  6  o 207.7389 4.215110 2114.171       85.71028 2152.127       122.5402 2077.816       119.9273 209.4056 5.984524 205.7579 5.960924 3.647766       8.446724 
1 1 1 -6  2  7  f 304.6181 5.863551 4549.658       174.8327 4459.938       243.9444 4644.412       250.6953 301.2145 8.281730 307.3759 8.340107 -6.161469      11.75349 
1 1 1 -6  2  8  o 451.1243 8.472782 9993.806       374.1351 10045.16       531.3006 9943.289       526.9402 451.3533 12.03664 449.0678 11.99866 2.285522       16.99554 
1 1 1 -6  2  9  o 222.8951 4.478658 2433.446       97.71352 2441.719       138.4680 2425.240       137.9093 223.0947 6.347398 222.3403 6.343270 0.7543793      8.973659 
1 1 1 -6  2  10 o 302.2734 5.829869 4476.699       172.4904 4365.731       239.8537 4595.562       248.2389 298.2273 8.224464 305.9745 8.296203 -7.747253      11.68199 
1 1 1 -6  2  11 o 164.8568 3.593636 1330.589       57.98922 1325.988       81.80991 1335.235       82.20985 164.4638 5.088058 165.0364 5.095166 -0.5726013     7.200628 
1 1 1 -6  2  12 o 75.30366 3.346131 278.1521       24.60250 287.0811       30.33772 261.0000       42.04767 76.46523 4.067976 72.75260 5.956662 3.712624       7.213200 
1 1 1 -6  2  13 o 221.3574 5.176652 2399.583       112.1629 2435.781       138.6388 2331.000       190.8287 222.8949 6.360963 217.8516 8.968220 5.043243       10.99504 
1 1 1 -6  2  14 o 437.1275 8.221560 9366.761       351.7779 9379.108       498.1122 9354.474       496.8683 436.9077 11.65788 436.3351 11.64403 0.5725708      16.47694 
1 1 1 -6  2  15 o 695.9583 12.91904 23803.06       880.0747 23934.41       1249.963 23673.94       1239.332 696.1823 18.35892 692.4001 18.30228 3.782166       25.92342 
1 1 1 -6  2  16 o 302.8290 6.771984 4493.522       200.7334 4347.000       339.8230 4572.047       248.7737 297.2731 11.70146 305.2573 8.333718 -7.984192      14.36576 
1 1 1 -6  2  17 o 247.4267 7.007671 3002.666       169.5465 0.000000       0.000000 3002.666       169.5465 ?        ?        247.4267 7.007671 ?              ?        
1 1 1 -6  2  18 o 512.3091 13.61069 12926.04       681.9200 0.000000       0.000000 12926.04       681.9200 ?        ?        512.3091 13.61069 ?              ?        
1 1 1 -6  2  19 f 258.9144 5.143635 3283.862       130.3565 3219.170       182.0320 3351.960       186.7628 256.1326 7.268018 261.3625 7.307478 -5.229828      10.30647 
1 1 1 -6  2  20 o 190.6030 4.702779 1779.600       87.73855 1755.000       149.9259 1792.412       108.2017 188.9410 8.125695 191.1568 5.789472 -2.215790      9.977220 
1 1 1 -6  2  21 o 229.1199 5.387321 2572.667       120.8209 2604.449       149.1485 2512.000       206.0624 230.3577 6.621566 225.9091 9.338913 4.448624       11.44816 
1 1 1 -6  2  22 o 375.5241 10.15183 6944.383       372.8118 6758.000       517.1802 7146.000       537.9010 369.3176 14.33379 379.7333 14.49826 -10.41574      20.38767 
1 1 1 -6  2  23 o 111.9504 3.724892 614.5742       40.76059 642.6293       50.61333 562.8000       68.75682 114.4280 4.527771 106.8913 6.603786 7.536743       8.006916 
1 1 1 -6  2  24 o 135.1994 3.927875 896.2932       51.92518 947.9000       92.86629 872.8206       62.63034 138.7779 6.857706 133.3522 4.806058 5.425644       8.374146 
1 1 1 -6  2  25 f 223.6999 4.578984 2452.938       100.2631 2432.063       141.0900 2474.234       142.5075 222.4777 6.485858 224.3986 6.494839 -1.920883      9.178741 
1 1 1 -6  2  26 o 152.3503 3.570083 1137.162       53.23875 1114.905       74.65108 1160.200       75.94758 150.6864 5.068441 153.7216 5.054330 -3.035233      7.157887 
1 1 1 -6  2  27 o 121.1000 3.301915 718.9744       39.10306 690.1392       54.40266 749.7938       56.24342 118.5385 4.698028 123.5667 4.658462 -5.028175      6.616096 
1 1 1 -6  2  28 o 156.1442 4.193750 1196.135       64.03851 1337.000       116.4355 1135.046       76.67718 164.7076 7.239824 152.0057 5.160957 12.70187       8.891036 
1 1 1 -6  2  29 o 313.6721 7.050781 4840.165       216.4807 4892.409       267.0342 4740.000       369.7479 314.8300 8.673582 308.5789 12.26590 6.251099       15.02276 
1 1 1 -6  2  30 o 128.1424 3.949356 805.8015       49.47739 777.4113       60.06911 865.7000       87.25201 125.7719 4.888652 132.4922 6.750134 -6.720314      8.334461 
1 1 1 -6  2  31 f 180.9763 3.998991 1606.103       70.83997 1617.963       100.6190 1594.447       99.75230 181.3752 5.674539 180.0521 5.667083 1.323044       8.019739 
1 1 1 -6  2  32 o 134.9126 3.493201 892.8596       46.09106 861.5010       64.31814 925.9626       66.08289 132.3626 4.973188 137.2378 4.927363 -4.875137      7.000822 
1 1 1 -6  2  33 o 128.7645 3.457831 813.5459       43.54244 789.4470       61.19054 838.2655       61.97354 126.6710 4.944654 130.5462 4.858410 -3.875244      6.932082 
1 1 1 -6  2  34 o 119.5470 4.008002 702.2136       46.83370 721.4008       57.30006 663.6000       81.28678 121.0620 4.845285 115.6937 7.213902 5.368240       8.690062 
1 1 1 -6  2  35 o 116.1515 4.046905 663.3333       45.93988 708.0383       56.71089 578.0000       78.35146 119.8891 4.842563 107.7969 7.471896 12.09222       8.903912 
1 1 1 -6  2  36 o 111.3378 3.440098 609.0344       37.44538 582.7193       52.05535 637.2523       53.90457 108.6848 4.905816 113.6753 4.855734 -4.990456      6.902549 
1 1 1 -6  2  37 o 134.5052 4.035312 890.5126       53.06781 791.0000       85.84758 952.0563       67.51201 126.0328 6.986194 138.8760 4.974502 -12.84319      8.576280 
1 1 1 -6  2  38 o 91.67017 3.918182 414.2502       35.07648 376.2000       57.40832 436.9172       44.30915 86.70948 6.818804 93.97601 4.833164 -7.266525      8.357964 
1 1 1 -6  2  39 o 67.26514 4.620591 224.4171       30.23763 237.7000       55.52562 218.8173       36.05233 68.20201 8.501524 66.20685 5.616137 1.995163       10.18906 
1 1 1 -6  2  40 o 50.45285 4.923307 127.1763       24.00459 124.3623       34.10357 129.9395       33.79378 49.29782 7.286780 50.48484 7.028989 -1.187019      10.12442 
1 1 1 -6  2  41 o 119.3587 4.025699 704.2498       46.96556 682.7179       57.17921 748.9000       82.33955 117.2031 4.995629 121.9169 6.928348 -4.713844      8.541564 
1 1 1 -6  2  42 o 112.1426 3.997504 622.2113       43.80973 640.6852       54.45058 588.3000       73.77272 113.4862 4.913415 107.8273 7.028034 5.658897       8.575250 
1 1 1 -6  2  43 o 64.89321 4.126293 209.2624       26.07416 184.0493       36.46230 235.6485       37.30085 60.23364 6.276378 68.45374 5.616266 -8.220100      8.422314 
1 1 1 -6  2  44 f 47.39785 5.241234 113.4055       23.91061 115.6371       34.05019 111.2346       33.58403 47.09660 7.648403 46.15207 7.705724 0.9445343      10.85708 
1 1 1 -6  2  45 o 30.38095 7.793899 49.10920       23.28880 19.89899       32.35046 80.53161       33.55312 23.93642 9.417015 38.61678 9.037639 -14.68036      13.05217 
1 1 1 -6  2  46 o 26.76859 8.142492 37.62465       23.23267 59.43042       32.73673 15.49829       32.97649 33.05598 9.570668 23.14913 9.372210 9.906857       13.39537 
1 1 1 -6  2  47 o 31.05049 7.698630 51.90259       23.28189 53.42987       33.19707 50.42427       32.66060 31.34778 9.769075 30.57939 9.711967 0.7683868      13.77524 
1 1 1 -6  2  48 o 25.37811 8.260031 33.65538       23.52535 58.52104       34.24860 11.44204       32.37052 32.40796 9.891848 22.00449 9.137435 10.40347       13.46630 
1 1 1 -6  2  49 o 34.80798 7.071472 65.00590       23.27035 72.62572       33.54973 57.94139       32.30409 35.87062 9.431906 32.13520 9.563071 3.735428       13.43180 
1 1 1 -6  2  50 o 22.10036 8.548153 19.92456       26.29348 62.59726       32.67302 -58.50000      44.29352 33.19091 9.546689 17.54318 8.480858 15.64774       12.76966 
1 1 1 -6  2  51 o 20.29259 7.917853 15.78659       22.71202 -3.585472      32.27557 34.78877       31.96596 19.41099 8.592771 26.27690 9.577466 -6.865915      12.86715 
1 1 1 -6  2  52 o 62.07983 5.207898 197.7441       31.35459 215.0000       52.53901 188.1987       39.07602 62.18544 8.883696 59.59269 6.821820 2.592754       11.20077 
1 1 1 -6  2  53 o 39.03914 6.524848 81.49311       24.05384 57.23306       33.62306 106.9252       34.42567 31.40816 9.838142 43.77575 8.338609 -12.36758      12.89657 
1 1 1 -6  2  54 o 34.89648 8.280464 68.95227       27.85612 44.68000       49.12696 80.45422       33.81820 29.39487 11.59233 37.15580 9.316735 -7.760925      14.87224 
1 1 1 -6  2  55 o 35.42014 9.635832 74.55927       34.28763 83.77000       51.88826 67.42000       45.68246 36.02185 12.28090 33.07627 11.51295 2.945576       16.83355 
1 1 1 -6  2  56 o 51.81402 5.901574 141.5460       29.39812 148.9984       36.69936 128.2000       49.11197 52.16338 7.394664 45.33768 11.14639 6.825695       13.37621 
1 1 1 -6  2  57 o 69.02683 4.795988 244.8158       32.20275 235.8783       39.82394 261.7000       54.73674 66.73466 6.166290 68.24553 8.369027 -1.510872      10.39537 
1 1 1 -6  2  58 o 23.76810 8.703985 29.17130       26.44744 61.73000       43.41045 9.952965       33.35176 31.67351 11.20752 21.22986 9.068212 10.44365       14.41669 
1 1 1 -6  2  59 o 38.41501 6.905210 80.95451       25.01034 101.7575       35.50766 60.47109       35.23384 41.75533 8.956237 31.56353 10.09435 10.19180       13.49481 
1 1 1 -6  2  60 o 38.73896 6.752978 82.17082       24.67605 71.01851       34.85009 93.38364       34.94450 34.06411 9.878381 39.68362 9.178994 -5.619507      13.48467 
1 1 1 -6  2  61 o 21.52656 8.531853 19.99023       26.73327 28.57145       32.85954 3.192000       45.97469 24.19548 9.499305 22.60976 10.11630 1.585718       13.87719 
1 1 1 -6  2  62 o 24.32476 8.242969 33.46820       23.37218 37.90972       32.99372 28.99447       33.11312 25.91469 9.679338 24.11762 9.515356 1.797068       13.57319 
1 1 1 -6  3  1  o 435.2836 8.185949 9306.272       348.7768 9176.530       488.8596 9440.776       497.7503 431.3131 11.58988 437.4702 11.63436 -6.157104      16.42205 
1 1 1 -6  3  2  o 443.4658 8.334118 9661.063       361.7645 9877.534       519.7131 9457.582       503.8788 447.3902 11.87833 437.8029 11.76889 9.587311       16.72129 
1 1 1 -6  3  3  o 278.7404 7.682244 3817.797       209.4015 4172.000       313.9685 3534.000       281.0374 290.7842 11.05097 267.6542 10.74900 23.12997       15.41638 
1 1 1 -6  3  4  o 180.9624 3.776649 1604.000       66.89618 1576.780       93.72994 1632.262       95.50603 179.2683 5.347546 182.3970 5.355221 -3.128754      7.568001 
1 1 1 -6  3  5  o 175.7305 3.700284 1512.527       63.64855 1537.478       90.84681 1488.472       89.20103 177.0281 5.248571 174.1823 5.237854 2.845795       7.415026 
1 1 1 -6  3  6  o 322.2908 6.172613 5094.081       194.7256 5276.475       282.0360 4927.934       269.1808 327.5450 8.804841 316.5533 8.695661 10.99164       12.37496 
1 1 1 -6  3  7  o 115.6441 2.902200 655.2047       32.82570 644.1762       46.07279 666.5745       46.78039 114.6052 4.113762 116.5836 4.105810 -1.978394      5.812118 
1 1 1 -6  3  8  o 38.01337 3.405166 71.32333       12.53606 74.33282       17.44103 68.10680       18.03101 38.66940 4.704545 36.93204 5.125805 1.737358       6.957487 
1 1 1 -6  3  9  o 236.1972 4.698904 2732.584       108.6370 2760.126       154.5648 2705.695       152.7235 237.1955 6.663901 234.8443 6.650544 2.351196       9.414739 
1 1 1 -6  3  10 o 240.4475 4.777015 2831.492       112.4302 2824.961       158.9072 2838.038       159.0936 239.9917 6.771354 240.5476 6.763583 -0.5558929     9.570647 
1 1 1 -6  3  11 o 100.9770 3.289695 499.6927       32.47165 509.8991       40.22521 480.6000       55.01668 101.9701 4.038116 98.88969 5.708033 3.080406       6.991997 
1 1 1 -6  3  12 o 406.9904 8.867686 8121.801       353.2651 8293.067       438.9662 7807.000       595.1312 410.9179 10.92333 398.0050 15.30482 12.91293       18.80310 
1 1 1 -6  3  13 o 216.0829 4.401696 2286.199       93.09936 2251.733       130.3917 2322.041       132.9710 214.3094 6.222466 217.6307 6.248566 -3.321274      8.818371 
1 1 1 -6  3  14 o 315.0527 6.066497 4862.136       187.0800 4919.336       266.6457 4806.681       262.5442 316.6419 8.611192 312.9957 8.577635 3.646210       12.15436 
1 1 1 -6  3  15 o 787.8682 16.89684 30597.29       1303.062 29770.00       2212.366 31036.74       1612.421 771.1027 29.36520 791.7826 20.82301 -20.67993      35.99879 
1 1 1 -6  3  16 o 262.1662 5.971630 3366.962       153.2413 3537.000       273.2889 3288.980       185.0743 268.2456 10.42825 258.9492 7.309036 9.296417       12.73461 
1 1 1 -6  3  17 o 471.2814 8.841837 10894.23       407.8768 10771.43       572.2159 11021.06       581.5470 467.9371 12.50419 473.3206 12.56341 -5.383453      17.72552 
1 1 1 -6  3  18 o 562.1291 12.12606 15535.51       667.2092 15640.00       1161.304 15484.02       815.1805 561.0251 21.18548 560.3619 14.87521 0.6632080      25.88622 
1 1 1 -6  3  19 o 285.9342 6.466225 4007.354       180.9769 3912.000       308.9556 4057.164       223.2966 281.8686 11.22049 287.4875 7.942792 -5.618958      13.74727 
1 1 1 -6  3  20 o 216.2564 4.462132 2290.724       94.45340 2306.628       134.4369 2275.220       132.7339 216.8224 6.341250 215.3431 6.303946 1.479309       8.941543 
1 1 1 -6  3  21 o 177.0236 3.887566 1534.794       67.36204 1558.624       96.24836 1511.914       94.30984 178.2424 5.523324 175.5508 5.495195 2.691589       7.791295 
1 1 1 -6  3  22 o 236.6122 5.527543 2744.582       128.0193 2748.892       156.9092 2736.000       221.4028 236.6018 6.782232 235.6503 9.618837 0.9514465      11.76948 
1 1 1 -6  3  23 o 359.4617 9.774613 6366.323       343.6015 6053.000       469.4040 6728.000       504.3250 349.3537 13.75387 368.2530 14.01689 -18.89929      19.63777 
1 1 1 -6  3  24 o 185.6040 4.008799 1687.859       72.82957 1682.348       102.5889 1693.459       103.4091 185.1112 5.668571 185.7193 5.695202 -0.6080933     8.035423 
1 1 1 -6  3  25 o 249.9689 5.002184 3063.870       122.3917 3002.079       170.8973 3128.933       175.3650 247.1020 7.072937 252.2670 7.109018 -5.164963      10.02819 
1 1 1 -6  3  26 o 279.4058 5.495852 3830.483       150.3061 3811.061       211.9873 3850.117       213.1473 278.2321 7.791559 279.6546 7.794267 -1.422577      11.02084 
1 1 1 -6  3  27 o 142.9841 3.472750 1001.689       48.60350 993.7822       68.60870 1009.654       68.86346 142.2535 4.934784 143.3884 4.913723 -1.134918      6.963963 
1 1 1 -6  3  28 o 296.8299 5.805618 4326.385       168.6795 4218.127       234.8105 4441.822       242.4717 292.4986 8.209513 300.1463 8.261045 -7.647705      11.64650 
1 1 1 -6  3  29 o 153.9109 4.169468 1162.308       62.75612 1212.000       109.6008 1138.070       76.54649 156.7859 7.160587 152.1947 5.145700 4.591141       8.817722 
1 1 1 -6  3  30 o 227.1616 5.410630 2533.849       120.3064 2716.887       153.5651 2243.000       193.5778 234.9259 6.684937 212.8414 9.314213 22.08449       11.46486 
1 1 1 -6  3  31 o 74.01768 3.636184 269.2204       26.26373 303.8035       37.59108 236.2401       36.70964 78.51640 4.915899 69.13348 5.469353 9.382912       7.353903 
1 1 1 -6  3  32 o 277.8930 5.509759 3795.163       149.8706 3697.208       208.4514 3899.979       215.6289 273.6107 7.791265 281.0011 7.847261 -7.390472      11.05818 
1 1 1 -6  3  33 o 106.4723 3.919195 556.9023       40.77538 525.2554       48.68136 631.3000       74.64078 103.2965 4.828074 112.9681 6.781382 -9.671516      8.324509 
1 1 1 -6  3  34 o 59.92770 4.897499 177.6867       28.47786 196.2671       34.08117 134.7000       51.83877 62.90522 5.593310 51.02052 10.72138 11.88470       12.09269 
1 1 1 -6  3  35 o 31.26581 7.091764 50.25248       21.20281 65.88245       29.37001 33.24054       30.64094 35.71139 8.521308 27.16002 9.430389 8.551369       12.71003 
1 1 1 -6  3  36 o 140.1963 4.079021 966.7900       55.91608 863.5000       90.31145 1031.000       71.20574 131.8305 7.024108 144.5926 5.038799 -12.76207      8.644512 
1 1 1 -6  3  37 o 36.45633 6.302511 67.64526       21.67681 61.92733       30.25124 73.67950       31.07670 34.51526 8.897611 37.65398 8.618422 -3.138721      12.38728 
1 1 1 -6  3  38 o 26.75949 7.509213 36.76642       20.46613 28.08652       28.62830 45.83936       29.26930 25.38958 9.089029 30.03669 9.139876 -4.647108      12.88983 
1 1 1 -6  3  39 o 20.66187 7.790800 15.98429       21.48275 -16.22775      30.15539 49.17955       30.61216 17.71854 8.036004 30.94958 9.332413 -13.23104      12.31549 
1 1 1 -6  3  40 o 20.13153 8.153486 9.473988       24.96825 28.68000       46.12461 1.513369       29.69528 28.76239 11.26576 20.13674 8.577625 8.625650       14.15956 
1 1 1 -6  3  41 o 15.84217 7.222658 -14.69323      24.76013 -70.15000      45.63127 8.448436       29.47695 17.70072 8.569294 21.23672 8.759714 -3.535997      12.25420 
1 1 1 -6  3  42 o 107.2289 3.487893 567.5276       36.55973 535.6845       50.97669 601.2532       52.46183 103.6973 5.037318 109.9294 4.887769 -6.232155      7.018893 
1 1 1 -6  3  43 o 41.29891 6.849532 88.18560       26.71926 50.26668       32.45797 167.9000       47.06106 31.00221 9.659452 56.54692 8.787729 -25.54472      13.05868 
1 1 1 -6  3  44 o 60.02628 4.381585 179.7152       25.56686 163.4293       36.40207 195.5698       35.91682 56.51118 6.711850 62.14649 5.978052 -5.635303      8.988105 
1 1 1 -6  3  45 o 27.29277 8.071478 39.13726       23.07048 27.51871       32.46277 50.99332       32.79290 25.50812 9.585877 31.02837 9.715457 -5.520252      13.64841 
1 1 1 -6  3  46 o 39.93481 6.383673 82.70417       24.11340 91.93826       34.21961 73.59648       33.98460 41.26197 8.744656 36.65043 9.421716 4.611542       12.85448 
1 1 1 -6  3  47 o 37.76380 6.602643 74.78571       23.51802 59.94755       33.86884 88.60210       32.68192 32.96908 9.787178 40.39905 8.532703 -7.429966      12.98445 
1 1 1 -6  3  48 o 28.19528 8.005870 43.13124       23.12243 35.65574       33.52369 49.91470       31.93428 26.95984 9.810806 30.19984 9.604772 -3.240004      13.72966 
1 1 1 -6  3  49 o 69.42403 4.796481 243.9447       32.39372 242.0070       40.07035 247.6000       55.03481 68.49465 6.038450 67.66045 8.496809 0.8342056      10.42395 
1 1 1 -6  3  50 o 52.57523 4.832597 140.6936       24.59155 152.4859       36.51740 130.9082       33.26508 53.59595 7.138159 49.65783 7.040951 3.938114       10.02638 
1 1 1 -6  3  51 o 59.66173 5.135224 182.0555       29.69745 138.1000       50.73547 204.9648       36.62785 48.34262 10.97384 62.83158 6.029539 -14.48896      12.52121 
1 1 1 -6  3  52 o 44.00330 5.981627 101.5448       25.09741 99.90419       35.58999 103.1676       35.39699 42.03397 8.926166 42.84975 8.735985 -0.8157730     12.48975 
1 1 1 -6  3  53 o 37.46650 6.738526 75.59731       23.80387 91.22079       33.24356 59.15818       34.10030 40.12826 8.713711 31.86634 9.896387 8.261921       13.18587 
1 1 1 -6  3  54 o 55.52367 5.490168 160.1716       29.44785 153.4388       36.26734 173.2000       50.44994 53.31274 7.128373 54.57984 9.803563 -1.267105      12.12120 
1 1 1 -6  3  55 o 45.69783 6.868062 112.9552       29.77166 65.14000       52.39837 135.7501       36.17875 32.65967 12.19813 49.59628 7.702193 -16.93661      14.42630 
1 1 1 -6  3  56 o 19.17062 8.156069 6.635175       26.79080 9.093000       47.48832 5.487716       32.44740 23.97817 10.52603 20.41841 8.835279 3.559769       13.74261 
1 1 1 -6  3  57 o 40.33722 7.209062 89.66229       27.41892 80.68291       33.74800 107.1000       47.02943 36.87992 9.340265 40.99719 11.33839 -4.117264      14.69012 
1 1 1 -6  3  58 o 27.27387 8.771391 42.61439       26.57668 39.68564       32.27742 48.78000       46.83232 26.73483 9.640955 29.39674 11.39793 -2.661919      14.92853 
1 1 1 -6  3  59 o 42.45790 7.494791 100.2662       30.00918 123.7569       36.52750 51.49000       52.63515 46.66938 8.300371 30.09081 11.95704 16.57857       14.55565 
1 1 1 -6  3  60 o 38.18279 7.912786 82.85315       28.60095 120.7725       35.39310 11.49000       48.55405 46.12886 8.135871 24.15440 10.62209 21.97447       13.37988 
1 1 1 -6  3  61 o 28.34409 8.128043 46.65092       23.71815 71.42265       33.94678 23.02501       33.15238 34.07951 9.708333 23.17864 9.392445 10.90087       13.50814 
1 1 1 -6  3  62 o 42.57161 7.023592 100.9552       28.24774 94.57000       48.40977 104.2516       34.78342 37.03107 11.83104 41.91823 8.760061 -4.887154      14.72115 
1 1 1 -6  4  1  f 245.0283 5.585835 2943.563       133.9709 2641.000       216.2822 3131.925       170.6517 231.5066 9.565059 252.5351 6.910204 -21.02855      11.80005 
1 1 1 -6  4  2  o 277.2909 7.648800 3778.523       207.4054 4141.000       311.5449 3490.000       277.9522 289.6754 11.00763 265.9604 10.69878 23.71500       15.35030 
1 1 1 -6  4  3  o 539.2342 10.08405 14312.71       532.2534 14778.09       770.2545 13887.43       736.3309 546.1173 14.42190 529.4838 14.22026 16.63348       20.25356 
1 1 1 -6  4  4  f 161.6919 3.484212 1280.397       55.14411 1287.854       78.25881 1273.044       77.71513 162.0321 4.940073 161.0973 4.934275 0.9348145      6.982220 
1 1 1 -6  4  5  f 155.1074 3.395807 1178.179       51.55630 1136.578       71.57501 1223.040       74.32603 152.2212 4.809783 157.9102 4.814287 -5.689026      6.805246 
1 1 1 -6  4  6  o 80.28568 2.587268 315.8980       20.30572 295.9111       28.21212 337.3813       29.24918 77.64181 3.723071 82.92226 3.612265 -5.280449      5.187458 
1 1 1 -6  4  7  o 270.0504 5.265801 3573.580       139.1924 3692.736       201.0784 3463.949       192.8735 274.2398 7.497842 265.6104 7.425873 8.629395       10.55278 
1 1 1 -6  4  8  o 154.3653 3.409842 1166.723       51.52172 1182.844       73.35635 1151.029       72.37891 155.3187 4.830990 153.2135 4.832282 2.105209       6.832965 
1 1 1 -6  4  9  o 200.3255 4.116918 1965.101       80.72620 1974.648       114.3945 1955.631       113.9350 200.6722 5.830051 199.7025 5.834902 0.9697723      8.248368 
1 1 1 -6  4  10 o 381.7639 8.343316 7146.551       311.7740 7140.337       381.7333 7159.000       540.3206 381.2777 10.23777 381.0887 14.51154 0.1889954      17.75942 
1 1 1 -6  4  11 o 351.9733 7.735618 6072.032       266.5085 6065.069       326.2437 6086.000       462.0630 351.5139 9.490541 351.6022 13.45071 -0.8834839E-01 16.46183 
1 1 1 -6  4  12 o 323.8153 6.211523 5136.460       196.8800 5206.432       280.9708 5068.963       275.9578 325.7451 8.820169 321.4164 8.779611 4.328613       12.44496 
1 1 1 -6  4  13 o 353.1569 6.728157 6110.494       232.5787 6112.412       328.8708 6108.575       328.9611 352.8947 9.529537 352.7832 9.535179 0.1114502      13.48079 
1 1 1 -6  4  14 o 386.5742 8.453689 7326.596       319.8787 7515.000       563.0119 7236.789       388.7114 390.5409 14.75457 383.8914 10.35403 6.649506       18.02507 
1 1 1 -6  4  15 o 303.1425 6.770003 4502.754       200.8824 4336.000       338.3344 4593.545       249.6495 296.9081 11.66444 305.9775 8.343352 -9.069458      14.34122 
1 1 1 -6  4  16 o 426.7767 8.041891 8929.717       335.9426 8985.877       477.0366 8874.463       473.1762 427.5880 11.40796 424.9304 11.38650 2.657562       16.11813 
1 1 1 -6  4  17 o 283.7084 5.545332 3942.845       153.9948 3916.084       216.7680 3970.114       218.8094 282.5089 7.846528 284.4508 7.866287 -1.941864      11.11065 
1 1 1 -6  4  18 f 166.6685 3.741447 1360.131       61.03787 1322.397       84.91812 1400.464       87.79491 164.2182 5.289808 168.9994 5.313958 -4.781204      7.498014 
1 1 1 -6  4  19 o 224.0835 5.303161 2460.115       116.3191 2517.000       204.9624 2433.090       141.2730 226.2252 9.275752 222.6969 6.487870 3.528305       11.31954 
1 1 1 -6  4  20 f 302.5249 6.802245 4488.152       201.4279 4341.000       341.6855 4566.530       249.3663 296.7011 11.78872 304.8856 8.363830 -8.184479      14.45433 
1 1 1 -6  4  21 o 329.2637 9.006360 5331.154       289.9955 0.000000       0.000000 5331.154       289.9955 ?        ?        329.2637 9.006360 ?              ?        
1 1 1 -6  4  22 o 268.9473 6.147905 3547.674       161.8455 3631.000       284.5909 3507.843       196.7610 271.2829 10.73869 267.1848 7.531034 4.098114       13.11625 
1 1 1 -6  4  23 o 211.2426 4.387751 2186.654       90.72559 2224.104       129.3446 2150.384       127.2908 212.8206 6.215755 209.2601 6.221382 3.560486       8.794385 
1 1 1 -6  4  24 o 208.8623 5.019999 2138.821       102.6290 2119.039       124.8698 2180.000       180.1617 207.7111 6.148508 210.2977 8.771552 -2.586548      10.71187 
1 1 1 -6  4  25 o 115.7313 3.740245 656.9045       42.31424 687.2294       52.51923 600.8000       71.43609 118.3167 4.543324 110.4100 6.640715 7.906700       8.046172 
1 1 1 -6  4  26 o 60.83281 3.650108 181.9723       21.63454 164.0780       30.31014 200.5576       30.88981 57.57291 5.443155 63.75284 4.989775 -6.179928      7.384158 
1 1 1 -6  4  27 o 179.9058 3.929919 1586.324       69.20461 1512.763       95.42506 1667.938       100.5132 175.4710 5.562884 184.2574 5.579466 -8.786453      7.878840 
1 1 1 -6  4  28 o 311.9402 6.063426 4779.771       185.1380 4696.337       258.8725 4867.123       264.8802 308.5251 8.580470 314.0762 8.624214 -5.551056      12.16559 
1 1 1 -6  4  29 o 143.0159 3.511457 1002.336       49.15617 996.5760       69.55573 1008.083       69.47900 142.4221 4.997152 143.2468 4.962709 -0.8246613     7.042728 
1 1 1 -6  4  30 o 131.1655 3.465694 843.7559       44.45649 839.7909       63.51846 847.5632       62.24290 130.7131 4.973564 131.3311 4.850236 -0.6180267     6.947023 
1 1 1 -6  4  31 o 230.6494 5.491547 2613.747       123.9805 2813.640       158.7314 2301.000       198.5459 238.9673 6.792960 215.3990 9.439889 23.56827       11.62995 
1 1 1 -6  4  32 o 222.5657 5.367094 2434.139       116.9240 2436.247       143.6560 2430.000       201.2525 222.3350 6.608333 221.2942 9.311864 1.040802       11.41844 
1 1 1 -6  4  33 o 145.1818 3.610490 1033.739       51.30793 1088.158       74.16490 983.7871       71.05567 148.7126 5.102560 141.3862 5.142919 7.326431       7.244704 
1 1 1 -6  4  34 o 174.0405 3.941324 1486.723       67.14269 1465.094       94.25752 1509.004       95.66637 172.4295 5.592074 174.9970 5.592173 -2.567459      7.908457 
1 1 1 -6  4  35 o 114.9171 3.904077 649.2393       43.85088 747.6000       77.16037 602.3164       53.29369 122.8670 6.438294 110.5298 4.938424 12.33723       8.114164 
1 1 1 -6  4  36 o 39.65393 5.880375 79.28686       22.13381 55.91730       31.08800 103.3110       31.52035 32.96749 9.256222 45.05989 7.403412 -12.09240      11.85277 
1 1 1 -6  4  37 o 208.0785 4.426265 2132.004       90.15106 2084.514       126.1063 2181.640       128.9262 205.0184 6.291468 209.7466 6.286813 -4.728180      8.894188 
1 1 1 -6  4  38 o 46.01796 5.020415 105.8100       22.24745 109.5102       31.21187 101.9885       31.71956 46.36985 7.102519 44.61024 7.532086 1.759605       10.35269 
1 1 1 -6  4  39 o 100.3728 3.444951 496.1449       33.79567 492.9139       47.75261 499.3872       47.83611 99.72803 4.906921 100.3884 4.882820 -0.6603470     6.922413 
1 1 1 -6  4  40 o 47.82338 5.043533 114.5616       23.25408 130.2331       33.06744 99.22906       32.70797 50.56629 6.857434 43.72701 7.933938 6.839283       10.48674 
1 1 1 -6  4  41 o 41.77251 6.701739 89.57406       26.47578 62.04000       47.76757 101.7836       31.80879 34.93692 11.78443 44.32076 7.605984 -9.383835      14.02582 
1 1 1 -6  4  42 o 83.86610 4.256301 349.0149       34.82592 338.6000       62.03307 353.8082       42.08375 81.26134 7.898422 84.18189 5.131658 -2.920555      9.419076 
1 1 1 -6  4  43 o 33.03050 7.281495 57.35098       22.90710 67.61000       32.46487 47.17914       32.32663 35.48286 9.253085 30.20338 9.669925 5.279478       13.38383 
1 1 1 -6  4  44 o 75.13849 4.518894 281.4571       33.08181 265.5942       40.30645 314.2000       57.90850 72.58341 5.719419 78.11246 7.672737 -5.529053      9.569882 
1 1 1 -6  4  45 o 62.42180 5.028656 195.8156       30.46537 195.7213       37.45440 196.0000       52.37245 61.96865 6.260589 60.73577 9.088471 1.232876       11.03609 
1 1 1 -6  4  46 o 70.20905 4.124547 245.8569       28.22008 247.8143       40.20697 243.9565       39.61800 69.79631 5.941649 69.26583 5.899514 0.5304794      8.373020 
1 1 1 -6  4  47 o 19.94951 7.815157 13.90938       22.19961 1.929125       31.82810 25.25903       30.97909 20.39593 8.787653 24.47305 9.326070 -4.077126      12.81399 
1 1 1 -6  4  48 o 62.17522 5.092999 196.3537       30.72400 202.9237       37.71911 183.4000       52.96352 62.65836 6.232567 57.42374 9.772506 5.234615       11.59081 
1 1 1 -6  4  49 o 29.43623 7.585548 47.23298       21.99264 37.95021       31.98989 55.55249       30.28469 27.16854 9.620259 31.52359 9.227864 -4.355055      13.33052 
1 1 1 -6  4  50 o 72.60317 4.478035 266.1038       31.66874 265.5000       55.96338 266.3882       38.41031 69.99860 8.331141 72.09904 5.483805 -2.100449      9.973967 
1 1 1 -6  4  51 o 20.25157 7.857350 16.10056       22.26725 -31.58266      31.63073 62.94832       31.35240 15.93829 7.557312 33.24213 9.281862 -17.30384      11.96937 
1 1 1 -6  4  52 o 62.87022 4.387422 200.1795       26.83036 193.4611       37.60392 207.1465       38.29318 60.65658 6.431461 62.86350 6.308411 -2.206921      9.008870 
1 1 1 -6  4  53 o 35.23625 6.960194 67.44608       23.15396 59.70555       32.79841 75.13605       32.69113 32.04905 9.659031 36.06186 9.225135 -4.012806      13.35665 
1 1 1 -6  4  54 o 30.46443 8.732982 53.27578       27.38469 85.80000       48.40009 37.96127       33.21194 36.81806 11.83662 26.69880 9.757520 10.11926       15.33997 
1 1 1 -6  4  55 o 27.56174 8.078307 42.98249       23.19662 35.69085       32.10814 50.94334       33.54923 25.97566 9.577192 29.54283 9.875205 -3.567169      13.75654 
1 1 1 -6  4  56 o 35.04563 7.198100 67.89005       23.86513 71.87793       33.14676 63.59784       34.38826 34.79340 9.477833 32.56977 9.906178 2.223629       13.70991 
1 1 1 -6  4  57 o 39.38029 7.531307 86.37076       27.97299 52.29000       48.06990 103.8209       34.39680 30.11523 11.58183 42.56285 8.553287 -12.44761      14.39783 
1 1 1 -6  4  58 o 23.55937 8.200820 29.67064       23.17896 53.06281       32.89819 6.611611       32.66308 29.89294 9.770421 20.55422 8.879265 9.338722       13.20237 
1 1 1 -6  4  59 o 28.59444 9.899364 47.90670       33.75310 47.90670       33.75310 0.000000       0.000000 28.59444 9.899364 ?        ?        ?              ?        
1 1 1 -6  4  60 o 23.56302 8.754230 28.48455       26.91868 13.88276       32.58264 59.88000       47.77675 21.60650 9.083495 31.13265 11.64374 -9.526144      14.76775 
1 1 1 -6  4  61 o 22.37419 8.587325 24.19095       26.38924 38.56000       45.87354 17.08401       32.26186 27.23936 11.04463 21.95732 9.120328 5.282042       14.32355 
1 1 1 -6  4  62 o 18.26054 7.617272 9.321032       22.64348 18.47920       32.67722 0.8615464      31.40602 22.09322 9.177992 19.07426 8.458288 3.018963       12.48111 
1 1 1 -6  5  1  o 174.7349 5.232921 1497.881       89.40058 1662.000       134.2187 1367.000       119.8594 183.8465 7.474079 166.7170 7.363064 17.12953       10.49174 
1 1 1 -6  5  2  o 307.4795 5.910165 4635.933       177.8779 4730.633       255.0626 4546.265       248.1927 310.1891 8.408429 304.0903 8.346245 6.098724       11.84743 
1 1 1 -6  5  3  o 218.5503 6.241549 2344.453       133.3844 2475.000       195.1529 2230.000       182.7276 224.2255 8.909418 212.8371 8.789947 11.38843       12.51563 
1 1 1 -6  5  4  o 130.7577 3.053074 837.1787       39.07607 826.3198       55.05340 848.2037       55.47281 129.8031 4.339142 131.5140 4.315094 -1.710983      6.119493 
1 1 1 -6  5  5  o 115.0193 3.335320 648.3545       37.51073 629.6555       45.10331 690.3000       67.55261 113.3083 4.073312 118.5232 5.840797 -5.214951      7.120870 
1 1 1 -6  5  6  o 221.8928 4.453792 2411.766       96.73405 2531.700       141.0481 2305.258       132.9188 227.1543 6.349891 216.7564 6.271408 10.39795       8.924779 
1 1 1 -6  5  7  o 92.55254 2.710132 419.7060       24.52545 432.5027       34.96632 407.3141       34.40884 93.90317 3.812126 91.12009 3.866679 2.783073       5.429872 
1 1 1 -6  5  8  o 163.0401 4.072984 1301.666       64.99999 1370.422       82.07634 1186.000       106.4541 167.1922 5.020977 155.3878 7.017163 11.80440       8.628488 
1 1 1 -6  5  9  o 364.2159 7.987987 6503.914       284.7754 6615.356       353.2356 6297.000       481.3199 367.0216 9.841442 357.4805 13.78128 9.541138       16.93451 
1 1 1 -6  5  10 o 466.6544 10.10269 10685.14       461.4648 10697.81       565.9563 10660.00       797.0886 466.4650 12.40633 464.5814 17.55986 1.883667       21.50036 
1 1 1 -6  5  11 o 280.2979 5.456278 3847.883       149.7003 3817.118       210.5385 3879.340       212.8975 278.9707 7.717635 281.2351 7.741197 -2.264404      10.93106 
1 1 1 -6  5  12 o 408.6488 7.706955 8184.338       308.2757 8100.804       432.8329 8270.337       439.1716 406.1298 10.89787 410.3546 10.94351 -4.224731      15.44422 
1 1 1 -6  5  13 o 164.7143 4.169090 1329.226       67.16292 1335.000       115.1874 1326.252       82.67039 164.9026 7.153283 164.4844 5.141059 0.4182281      8.809083 
1 1 1 -6  5  14 o 102.9360 3.436263 519.3051       34.57407 475.6000       56.43873 545.5586       43.74266 98.36011 5.889050 105.4710 4.245749 -7.110931      7.259979 
1 1 1 -6  5  15 o 190.6549 4.027002 1779.744       75.15123 1776.593       106.1129 1782.914       106.4477 190.3602 5.701320 190.6984 5.709162 -0.3381653     8.068431 
1 1 1 -6  5  16 o 232.4421 4.692658 2645.903       106.7677 2722.633       153.5166 2574.021       148.5886 235.6206 6.663037 229.0967 6.633121 6.523941       9.401828 
1 1 1 -6  5  17 o 469.8499 8.816519 10829.84       405.4735 10744.42       570.2137 10917.21       576.6935 467.2759 12.47806 471.0122 12.51964 -3.736298      17.67607 
1 1 1 -6  5  18 o 185.6451 3.994682 1687.651       72.58921 1625.757       100.2250 1755.940       105.2743 182.0729 5.630499 189.2250 5.690251 -7.152115      8.005091 
1 1 1 -6  5  19 o 593.6794 12.81033 17363.15       744.4209 17116.41       902.0513 17890.00       1318.113 588.2870 15.67917 598.1298 22.55431 -9.842834      27.46877 
1 1 1 -6  5  20 o 262.8084 6.027430 3385.908       155.0521 3093.000       254.1426 3559.578       195.6925 250.5637 10.38473 269.2463 7.432481 -18.68259      12.77045 
1 1 1 -6  5  21 o 428.5755 9.361478 9030.519       392.7154 9355.000       697.6245 8879.992       475.1531 433.8491 16.45754 424.3589 11.44962 9.490265       20.04855 
1 1 1 -6  5  22 o 262.6888 6.021114 3384.534       154.8192 3212.000       259.8743 3479.459       192.7595 255.1465 10.42758 266.0975 7.407839 -10.95097      12.79103 
1 1 1 -6  5  23 o 104.5106 3.701588 535.7222       37.80664 565.3000       68.21135 522.6068       45.42183 107.1221 6.536476 103.1668 4.508876 3.955269       7.940749 
1 1 1 -6  5  24 o 288.1931 5.640913 4074.322       159.1253 3922.444       219.3667 4242.985       231.1713 282.3373 7.945631 293.6349 8.050633 -11.29761      11.31131 
1 1 1 -6  5  25 o 176.4326 4.475160 1526.907       77.22234 1515.314       93.98203 1551.000       135.4869 175.6631 5.472531 177.4127 7.821229 -1.749649      9.545691 
1 1 1 -6  5  26 o 378.9204 8.361266 7070.373       310.1175 6948.642       375.1669 7333.000       551.0533 374.9377 10.23212 383.1706 14.71986 -8.232910      17.92681 
1 1 1 -6  5  27 o 183.5627 3.982442 1651.584       71.55502 1604.723       99.67538 1701.413       102.7844 180.7154 5.641814 186.0842 5.649558 -5.368790      7.984208 
1 1 1 -6  5  28 o 132.1750 3.401654 856.5900       43.97286 871.9885       62.76030 841.7415       61.62916 133.2362 4.820286 130.9022 4.818088 2.334030       6.815360 
1 1 1 -6  5  29 o 267.5793 5.319952 3514.847       139.3370 3452.565       195.1915 3579.562       198.9673 264.6859 7.541658 269.5117 7.549633 -4.825867      10.67116 
1 1 1 -6  5  30 o 196.3535 4.209977 1890.884       80.91415 1895.729       114.8341 1886.106       114.0299 196.3052 5.983291 195.8104 5.956374 0.4948273      8.442639 
1 1 1 -6  5  31 o 188.7598 4.781700 1750.135       88.27715 1783.796       109.6106 1688.000       148.9226 190.3902 5.888765 184.7117 8.257707 5.678482       10.14235 
1 1 1 -6  5  32 o 153.1891 4.252581 1152.421       63.70392 1313.000       113.9831 1079.479       76.82183 163.0285 7.160304 148.1157 5.307379 14.91280       8.912812 
1 1 1 -6  5  33 o 191.1198 4.160845 1792.824       77.83833 1750.420       108.6260 1837.576       111.5941 188.4830 5.895077 193.1195 5.910446 -4.636505      8.347773 
1 1 1 -6  5  34 o 235.3829 5.566156 2727.827       128.2439 2603.000       214.3329 2797.438       160.0562 228.4027 9.608434 237.8975 6.880705 -9.494843      11.81804 
1 1 1 -6  5  35 o 142.4628 3.577669 996.8479       49.84986 954.9885       69.37275 1041.539       71.68059 139.1802 5.100824 145.3696 5.045226 -6.189346      7.174448 
1 1 1 -6  5  36 o 98.90527 3.385088 480.8092       32.72314 456.5722       45.77405 506.1427       46.79796 96.15363 4.879435 101.2772 4.733825 -5.123596      6.798381 
1 1 1 -6  5  37 f 138.6910 3.563452 945.9213       48.33542 894.7191       66.87043 1001.942       69.94649 134.5471 5.086702 142.4080 5.025819 -7.860840      7.150762 
1 1 1 -6  5  38 o 85.75073 3.477164 362.1278       29.12511 352.4648       41.04189 371.9308       41.33796 84.31746 4.995214 86.64410 4.894104 -2.326637      6.993169 
1 1 1 -6  5  39 o 66.44698 3.934956 218.3060       25.47841 209.2220       36.05228 227.3694       36.01159 64.66842 5.755604 67.49692 5.498284 -2.828499      7.959781 
1 1 1 -6  5  40 o 27.98874 7.572976 40.80389       21.24650 39.83143       29.67138 41.82722       30.43745 28.30869 9.280458 28.90197 9.394626 -0.5932808     13.20553 
1 1 1 -6  5  41 o 16.16280 7.012743 -2.249874      20.55375 2.580918       28.53515 -7.458672      29.63056 19.88371 8.436791 18.64482 8.244359 1.238884       11.79614 
1 1 1 -6  5  42 o 18.63825 7.991755 0.3017207      26.08502 -51.42000      46.79099 23.62421       31.42051 19.32111 9.170139 24.65911 9.393404 -5.337996      13.12736 
1 1 1 -6  5  43 o 52.17884 5.705368 137.7895       28.66526 215.0000       53.12928 106.0839       34.04582 64.11629 8.689050 44.95850 8.031270 19.15779       11.83220 
1 1 1 -6  5  44 o 30.06595 7.813565 47.97239       23.20229 32.28743       32.31489 64.66312       33.33485 26.57895 9.638094 34.59782 9.537095 -8.018866      13.55909 
1 1 1 -6  5  45 o 28.01706 8.738550 41.03006       26.55660 20.89684       32.18697 83.96000       47.00064 24.06672 9.415549 38.81573 11.53112 -14.74901      14.88689 
1 1 1 -6  5  46 o 101.0260 4.126604 508.4035       40.72086 512.3322       50.03842 500.7000       70.06864 100.9640 5.079584 98.43374 7.324832 2.530273       8.913773 
1 1 1 -6  5  47 o 91.89447 4.223608 422.1365       37.88927 417.8763       46.27691 430.8000       65.99210 90.92857 5.221409 90.84093 7.488152 0.8764648E-01  9.128830 
1 1 1 -6  5  48 o 53.42656 4.834165 144.7996       25.00717 110.6204       35.15101 179.8260       35.58392 45.12424 8.262724 58.91782 6.266233 -13.79358      10.37007 
1 1 1 -6  5  49 o 122.0580 4.106642 746.1859       48.99371 708.1000       82.94865 766.5919       60.71640 116.0353 7.340822 122.9992 5.053865 -6.963852      8.912307 
1 1 1 -6  5  50 o 58.66952 4.460592 174.0881       25.42401 145.8225       36.23608 201.4933       35.68032 52.28488 7.277382 62.40878 5.911324 -10.12390      9.375715 
1 1 1 -6  5  51 o 59.23373 4.549484 177.9084       26.17581 203.3160       36.93618 152.2739       37.10074 62.49967 6.115841 53.34581 7.296189 9.153862       9.520393 
1 1 1 -6  5  52 o 47.12090 5.374325 114.8714       24.34549 118.4682       34.55427 111.3261       34.30650 46.51347 7.869959 44.92400 8.099655 1.589466       11.29339 
1 1 1 -6  5  53 o 52.64114 5.825410 144.6797       29.51468 125.7000       51.43469 153.9975       36.03853 45.07938 11.59212 53.58859 7.040648 -8.509205      13.56274 
1 1 1 -6  5  54 o 34.63248 7.082770 65.84050       23.19944 54.33437       32.47586 77.83112       33.15254 30.49126 9.684518 36.48156 9.267365 -5.990299      13.40425 
1 1 1 -6  5  55 o 58.80936 4.553998 176.8856       26.01062 187.9410       36.57399 165.5719       36.99884 59.43493 6.386816 55.32853 6.987294 4.106400       9.466451 
1 1 1 -6  5  56 o 15.84898 7.052552 -4.067579      22.02609 -26.89923      30.68107 20.21398       31.64026 15.87222 7.501298 22.73235 9.188689 -6.860136      11.86176 
1 1 1 -6  5  57 o 21.36831 7.953291 21.87712       22.23752 13.38079       31.28573 30.55272       31.61405 21.37220 8.937297 24.71693 9.420642 -3.344732      12.98552 
1 1 1 -6  5  58 o 34.29538 10.00206 71.72717       35.63733 88.78000       51.58725 56.16000       49.28887 36.56346 12.24587 30.72303 11.74993 5.840425       16.97122 
1 1 1 -6  5  59 o 40.42837 6.524960 88.68889       24.94189 112.9456       36.60696 67.67123       34.07529 44.10769 8.787711 33.34071 9.796163 10.76698       13.16012 
1 1 1 -6  5  60 o 51.75988 7.180125 147.2541       35.39903 197.4000       51.82630 103.4000       48.46605 57.87117 9.476898 39.61127 11.69481 18.25989       15.05258 
1 1 1 -6  5  61 o 18.03884 7.872970 2.258898       26.22824 9.411960       32.78885 -10.45000      43.70530 20.78261 8.936376 20.66073 9.485633 0.1218796      13.03212 
1 1 1 -6  5  62 o 24.88753 8.822747 35.27336       26.91247 41.37587       33.64927 24.44000       44.83355 26.59598 9.804615 24.73208 10.53751 1.863897       14.39338 
1 1 1 -6  6  1  o 160.8766 4.926466 1269.358       77.48590 1193.000       106.2799 1356.000       113.2115 155.7867 6.987494 166.1094 6.978442 -10.32275      9.875410 
1 1 1 -6  6  2  o 65.83932 2.571804 212.5428       16.54220 200.9452       23.44572 224.0391       23.34302 63.94466 3.762501 67.54565 3.543029 -3.600994      5.168120 
1 1 1 -6  6  3  o 382.7746 7.257456 7188.250       271.9154 7473.686       395.3845 6932.099       374.5533 389.6687 10.37539 375.3090 10.20520 14.35968       14.55318 
1 1 1 -6  6  4  o 280.1301 6.285367 3847.157       172.3442 4081.000       310.9734 3743.492       207.0504 287.7933 11.05975 276.1091 7.668491 11.68414       13.45823 
1 1 1 -6  6  5  o 268.2918 5.237216 3526.643       137.5353 3641.440       198.8251 3421.310       190.4534 272.3698 7.464757 264.0118 7.377090 8.358002       10.49495 
1 1 1 -6  6  6  o 509.2900 9.528365 12735.09       474.9958 12857.50       677.5646 12616.80       666.0739 510.7147 13.56597 505.9360 13.46191 4.778656       19.11174 
1 1 1 -6  6  7  o 453.4020 9.837265 10091.51       436.5802 10557.92       552.0836 9313.000       713.2592 463.2302 12.18650 433.9870 16.82239 29.24319       20.77267 
1 1 1 -6  6  8  o 670.3611 14.40642 22120.32       945.3030 22808.51       1183.933 20910.00       1570.088 679.4516 17.81711 647.6729 24.81224 31.77875       30.54663 
1 1 1 -6  6  9  o 382.9866 8.367395 7191.313       313.6751 7407.863       392.2158 6807.000       522.5035 388.3955 10.32595 371.6993 14.38839 16.69626       17.71020 
1 1 1 -6  6  10 o 316.8573 6.085406 4917.965       188.7381 4941.360       267.6135 4894.813       266.2238 317.3531 8.623066 315.8541 8.619068 1.498993       12.19203 
1 1 1 -6  6  11 o 357.7942 6.804200 6272.140       238.2959 6238.764       335.7197 6306.031       338.2978 356.5175 9.629142 358.4333 9.651170 -1.915802      13.63325 
1 1 1 -6  6  12 o 359.8489 7.898017 6346.985       278.1919 6458.000       486.6479 6293.098       339.0524 362.1745 13.75246 358.0533 9.683043 4.121246       16.81938 
1 1 1 -6  6  13 o 210.7165 4.968071 2174.403       102.4690 2189.000       176.8342 2167.024       125.7291 211.1212 8.574974 210.2366 6.116219 0.8845825      10.53273 
1 1 1 -6  6  14 o 471.7560 8.843124 10914.13       408.3470 10949.90       578.6742 10878.65       576.3127 471.8826 12.53946 470.3457 12.52916 1.536896       17.72619 
1 1 1 -6  6  15 o 75.94251 3.195534 282.8363       23.70080 296.7338       33.63751 269.1346       33.39974 77.71803 4.440244 73.98950 4.635046 3.728523       6.418677 
1 1 1 -6  6  16 o 207.9002 4.305957 2116.521       87.62557 2047.993       121.2318 2191.486       126.7981 204.3623 6.067234 211.4021 6.134182 -7.039734      8.627833 
1 1 1 -6  6  17 o 233.9246 4.725370 2680.053       108.1977 2589.715       149.5595 2779.248       156.7208 229.7702 6.656901 238.0305 6.733243 -8.260315      9.468415 
1 1 1 -6  6  18 o 368.1972 8.109081 6651.272       292.2526 6466.606       350.6988 7071.000       528.7195 362.7001 9.887481 378.3945 14.30068 -15.69440      17.38596 
1 1 1 -6  6  19 o 96.07320 3.797930 452.7158       35.64502 493.3000       64.83797 435.1372       42.67200 100.0815 6.656483 94.13431 4.645501 5.947182       8.117231 
1 1 1 -6  6  20 o 125.2841 3.274854 769.1135       40.12561 784.6105       57.01010 753.9003       56.48589 126.4669 4.613144 123.9606 4.663644 2.506340       6.559777 
1 1 1 -6  6  21 o 199.4582 4.854678 1949.618       94.78039 1985.000       166.6726 1932.708       115.2245 200.8110 8.498724 198.4385 5.938842 2.372498       10.36813 
1 1 1 -6  6  22 o 256.2107 5.897197 3219.774       147.8935 3043.000       247.8067 3317.571       184.3179 248.3274 10.21670 259.8261 7.254438 -11.49876      12.53028 
1 1 1 -6  6  23 o 250.8044 5.806693 3085.814       142.5510 3122.000       248.2212 3068.007       174.1289 251.4728 10.10478 249.8303 7.127937 1.642517       12.36584 
1 1 1 -6  6  24 f 261.0785 5.182288 3342.738       132.4338 3307.631       185.8833 3378.928       188.7285 259.3380 7.329996 262.1146 7.363268 -2.776581      10.38973 
1 1 1 -6  6  25 o 206.3609 4.307995 2087.423       87.01796 2084.058       122.8082 2090.817       123.3174 205.9436 6.098900 206.2755 6.114347 -0.3318634     8.636077 
1 1 1 -6  6  26 o 386.2933 8.519634 7351.568       322.1398 7383.451       395.7960 7289.000       554.4573 386.3420 10.47597 381.8140 14.86417 4.527985       18.18487 
1 1 1 -6  6  27 o 187.0560 4.666785 1716.102       85.44675 1714.163       104.5577 1720.000       148.2617 186.7632 5.726269 186.6913 8.132834 0.7188416E-01  9.946515 
1 1 1 -6  6  28 o 200.3623 4.244100 1968.438       83.23533 1894.135       115.1283 2049.808       120.4790 196.2705 5.999723 204.1783 6.034932 -7.907822      8.509823 
1 1 1 -6  6  29 o 148.1137 3.597961 1075.211       52.16243 1124.100       75.63519 1030.866       72.03413 151.2464 5.116328 144.8341 5.089048 6.412231       7.216317 
1 1 1 -6  6  30 o 349.4225 7.803403 6020.195       266.8954 6030.476       327.8685 6000.000       459.5147 348.9262 9.608899 345.9869 13.59502 2.939270       16.64799 
1 1 1 -6  6  31 o 220.9663 4.587393 2396.359       99.21979 2417.630       141.0942 2375.549       139.5544 221.5345 6.513786 219.5995 6.499563 1.935013       9.201833 
1 1 1 -6  6  32 o 163.7014 3.795298 1314.429       60.81413 1261.072       84.52536 1371.691       87.56341 160.0740 5.402349 166.9610 5.364948 -6.886978      7.613675 
1 1 1 -6  6  33 o 130.5845 4.804820 839.0256       61.31033 880.2000       86.78450 798.0000       86.62752 133.4313 6.665852 126.9658 6.997543 6.465508       9.664326 
1 1 1 -6  6  34 o 208.9586 4.431111 2145.466       90.63148 2111.730       126.7257 2180.788       129.6695 206.8070 6.267507 210.1516 6.310901 -3.344543      8.894331 
1 1 1 -6  6  35 o 149.4149 3.639774 1096.097       53.23220 1135.603       76.53743 1059.081       74.08582 151.7540 5.160120 146.5431 5.173033 5.210876       7.306649 
1 1 1 -6  6  36 o 110.6379 3.360743 601.5690       36.35311 619.5296       51.82689 584.1735       51.00507 112.0523 4.735968 108.7897 4.801651 3.262566       6.744275 
1 1 1 -6  6  37 o 105.9491 3.367606 552.0571       34.87971 482.4634       47.52791 633.2877       51.34800 98.75754 4.932294 113.2435 4.642221 -14.48594      6.773311 
1 1 1 -6  6  38 o 51.81181 4.488666 133.4056       22.53985 106.9054       31.30355 161.9376       32.48140 45.73913 7.232141 56.82991 5.926149 -11.09078      9.350032 
1 1 1 -6  6  39 o 95.00919 3.440346 444.7571       31.94157 428.8990       44.91176 460.9886       45.43724 92.96334 4.953508 96.41987 4.829744 -3.456528      6.918357 
1 1 1 -6  6  40 o 33.87113 6.700809 59.39074       21.42881 29.52998       29.66170 91.98978       30.99188 25.74344 9.247306 42.05402 7.816593 -16.31058      12.10834 
1 1 1 -6  6  41 o 29.48105 7.634637 45.62465       22.20407 27.24336       30.63665 65.96284       32.22622 25.34000 9.352991 35.19173 9.239483 -9.851734      13.14711 
1 1 1 -6  6  42 o 25.61474 7.927756 33.54128       21.90418 32.35069       30.47055 34.81448       31.50998 26.41633 9.385569 27.15468 9.553789 -0.7383480     13.39268 
1 1 1 -6  6  43 o 21.97525 8.014631 20.83352       22.38990 44.12154       31.61830 -2.589926      31.71009 29.35580 9.577428 19.94714 8.682012 9.408661       12.92689 
1 1 1 -6  6  44 o 58.29220 5.373997 171.3722       30.31802 156.0000       54.27735 178.3436       36.55180 53.33890 10.76753 59.11177 6.420254 -5.772865      12.53633 
1 1 1 -6  6  45 o 27.12521 8.178296 38.62850       23.50983 52.29818       32.95751 24.46617       33.54615 31.30715 9.730186 25.04055 9.663410 6.266602       13.71342 
1 1 1 -6  6  46 o 22.98811 9.159894 17.55882       30.97233 17.55882       30.97233 0.000000       0.000000 22.98811 9.159894 ?        ?        ?              ?        
1 1 1 -6  6  47 o 42.34202 6.737443 94.07375       26.98902 71.81110       33.12971 138.0000       46.53624 35.93650 9.335423 49.79575 9.896319 -13.85925      13.60468 
1 1 1 -6  6  48 o 45.86244 6.106100 109.3582       26.73070 80.03000       45.65611 124.6549       32.97287 36.99431 11.44483 48.51108 7.158855 -11.51677      13.49938 
1 1 1 -6  6  49 o 77.17127 3.797803 297.8039       28.59949 273.6823       40.10409 322.7655       40.79636 73.03275 5.654027 79.58033 5.266958 -6.547585      7.727152 
1 1 1 -6  6  50 o 26.30490 8.081608 37.60534       22.81287 40.48957       32.52560 34.81265       32.00521 27.64727 9.708187 26.30507 9.584010 1.342197       13.64193 
1 1 1 -6  6  51 o 17.58614 7.440438 4.349605       22.08641 7.619198       31.35823 1.130945       31.11301 20.82457 8.840484 19.73297 8.594188 1.091600       12.32940 
1 1 1 -6  6  52 o 38.06946 7.676689 79.72226       27.61743 74.00404       34.84710 89.38000       45.28706 35.62386 9.723582 38.26333 11.30682 -2.639469      14.91282 
1 1 1 -6  6  53 o 35.10128 6.971454 67.03236       23.10784 72.32664       32.71233 61.75932       32.64661 35.28841 9.329900 32.54723 9.595424 2.741184       13.38354 
1 1 1 -6  6  54 o 46.70001 5.334727 113.5501       23.94875 139.9779       33.91926 87.27937       33.81825 50.88374 6.995146 38.75194 9.076004 12.13179       11.45888 
1 1 1 -6  6  55 o 32.77600 7.325816 59.84662       22.91092 81.99434       32.10414 36.86053       32.70612 37.55682 8.874723 26.23821 9.667362 11.31861       13.12321 
1 1 1 -6  6  56 o 42.83433 5.851495 97.09312       23.89308 87.20589       33.75556 107.0207       33.82438 38.62654 9.081812 43.51293 8.243232 -4.886387      12.26500 
1 1 1 -6  6  57 o 34.95261 8.166199 69.90938       27.43231 52.19130       32.90355 110.3000       49.67922 29.69654 9.774838 41.20037 11.74694 -11.50383      15.28195 
1 1 1 -6  6  58 o 22.78583 8.185086 26.86196       23.23885 26.86018       33.07010 26.86369       32.66308 24.10453 9.509488 24.04778 9.461925 0.5674934E-01  13.41486 
1 1 1 -6  6  59 f 36.09627 9.660740 79.05558       34.80567 0.000000       0.000000 79.05558       34.80567 ?        ?        36.09627 9.660740 ?              ?        
1 1 1 -6  6  60 o 26.71875 8.853848 41.07355       26.98067 43.02000       48.84813 40.21904       32.36565 28.35183 11.43246 26.69172 9.650285 1.660110       14.96092 
1 1 1 -6  6  61 o 20.04444 8.809981 3.762338       33.35963 3.762338       33.35963 0.000000       0.000000 20.04444 8.809981 ?        ?        ?              ?        
1 1 1 -6  6  62 o 24.76906 8.800416 34.91763       26.78963 32.80915       33.35473 38.75000       44.96826 24.77766 9.615719 26.78723 10.90777 -2.009563      14.54103 
1 1 1 -6  7  1  o 167.1237 5.075430 1369.594       82.93034 1312.000       114.9983 1432.000       119.7057 163.4051 7.207580 170.7308 7.179052 -7.325699      10.17290 
1 1 1 -6  7  2  o 393.2077 7.429306 7582.997       285.9410 7753.108       410.8323 7423.165       398.2257 397.0227 10.58109 388.4951 10.48177 8.527618       14.89386 
1 1 1 -6  7  3  o 304.4476 5.860981 4542.026       174.6582 4528.567       246.6606 4555.560       247.3490 303.6905 8.305584 304.5952 8.303981 -0.9046326     11.74474 
1 1 1 -6  7  4  o 136.8250 3.155675 916.5490       42.26336 887.2300       59.04436 947.3537       60.52185 134.5205 4.490481 139.0106 4.453680 -4.490082      6.324531 
1 1 1 -6  7  5  o 163.4332 4.112139 1308.769       65.73084 1393.000       118.5198 1271.353       78.99218 168.4173 7.206146 161.0320 5.017600 7.385300       8.780936 
1 1 1 -6  7  6  o 318.8766 8.655112 4990.883       269.8980 5340.000       399.5951 4698.000       366.0006 329.3548 12.41733 308.9361 12.12694 20.41873       17.35664 
1 1 1 -6  7  7  o 200.1926 4.741414 1962.589       92.90989 1959.832       114.1466 1968.000       159.9326 199.9364 5.838892 200.1852 8.179267 -0.2488251     10.04953 
1 1 1 -6  7  8  o 198.5530 4.093700 1930.228       79.56071 1983.465       114.2995 1880.189       110.8131 201.1466 5.811406 195.8368 5.787186 5.309799       8.201460 
1 1 1 -6  7  9  o 228.5388 4.581982 2557.482       102.4990 2586.117       145.9850 2529.642       143.9475 229.6651 6.500459 227.1427 6.481018 2.522339       9.179300 
1 1 1 -6  7  10 o 137.6254 3.242617 927.2171       43.68180 951.7105       62.58120 903.9458       60.99994 139.3383 4.594747 135.7928 4.595924 3.545532       6.498785 
1 1 1 -6  7  11 o 312.4093 6.935288 4782.193       212.0775 5126.000       384.0292 4631.334       254.3863 322.8287 12.17488 307.2389 8.466922 15.58975       14.82958 
1 1 1 -6  7  12 o 131.5630 3.651445 848.0501       46.97691 883.5000       80.29090 829.5983       57.92662 134.1562 6.130541 130.0822 4.556435 4.073975       7.638366 
1 1 1 -6  7  13 o 270.6680 5.303938 3588.104       140.5211 3575.619       198.1817 3600.727       199.2766 269.9948 7.506259 270.9406 7.521360 -0.9458008     10.62614 
1 1 1 -6  7  14 o 616.0696 11.45899 18641.44       691.0070 18730.01       980.1420 18553.93       974.3467 616.2136 16.26415 613.3141 16.24452 2.899475       22.98710 
1 1 1 -6  7  15 o 102.3673 3.679242 513.7225       36.80603 469.2000       64.59064 535.1312       44.78933 97.61211 6.802776 104.4452 4.390862 -6.833076      8.096754 
1 1 1 -6  7  16 o 76.49174 3.782959 287.1837       28.23598 272.0954       33.04532 328.0000       54.35085 74.39925 4.559593 81.51648 6.875734 -7.117226      8.250189 
1 1 1 -6  7  17 o 268.1642 6.129296 3524.187       160.8857 3474.000       276.7323 3549.811       197.7371 265.6769 10.66309 268.9421 7.518818 -3.265228      13.04738 
1 1 1 -6  7  18 o 166.9842 3.742022 1365.449       61.16287 1457.470       89.15251 1283.628       84.06612 172.3892 5.289707 161.7697 5.316280 10.61945       7.499589 
1 1 1 -6  7  19 o 214.3364 4.416297 2250.401       92.65323 2203.320       129.1425 2300.341       133.0058 211.8966 6.233202 216.5112 6.282662 -4.614517      8.850121 
1 1 1 -6  7  20 o 119.4396 3.685502 699.3506       43.03594 650.9000       69.86094 728.9811       54.63298 115.0393 6.227359 121.8917 4.587227 -6.852341      7.734510 
1 1 1 -6  7  21 o 191.8820 5.796413 1807.212       108.7430 0.000000       0.000000 1807.212       108.7430 ?        ?        191.8820 5.796413 ?              ?        
1 1 1 -6  7  22 o 243.8710 6.938615 2922.433       165.4617 3172.000       247.5828 2721.000       222.4294 253.5410 9.995806 234.8545 9.696660 18.68655       13.92628 
1 1 1 -6  7  23 o 156.8253 4.191203 1206.073       64.27937 1160.000       110.3758 1229.717       79.07170 153.4757 7.368835 158.2802 5.110436 -4.804535      8.967513 
1 1 1 -6  7  24 o 232.0345 5.449497 2641.244       123.7699 2536.000       209.6988 2697.509       153.3254 226.6304 9.473937 234.2577 6.693595 -7.627274      11.59999 
1 1 1 -6  7  25 o 263.1665 5.222604 3397.608       134.5315 3151.746       181.1939 3699.647       200.8302 253.0706 7.322383 274.1692 7.490508 -21.09859      10.47497 
1 1 1 -6  7  26 o 174.8743 3.858535 1498.778       66.04725 1465.485       92.08711 1534.049       94.78095 172.7151 5.453899 176.7092 5.486334 -3.994095      7.735948 
1 1 1 -6  7  27 o 239.0261 5.590185 2804.980       130.7910 2753.298       158.1094 2917.000       232.7734 236.5331 6.836213 242.7690 9.815907 -6.235916      11.96185 
1 1 1 -6  7  28 o 244.7243 7.028789 2948.963       168.1952 2948.963       168.1952 0.000000       0.000000 244.7243 7.028789 ?        ?        ?              ?        
1 1 1 -6  7  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  7  30 o 59.45525 4.093295 174.1927       23.67615 173.3107       33.55462 175.0672       33.41209 59.08892 5.879426 59.39864 5.821407 -0.3097153     8.273841 
1 1 1 -6  7  31 o 195.6151 4.821990 1878.823       92.32831 1743.000       151.4550 1959.149       116.4729 187.6488 8.266057 199.4932 5.971447 -11.84441      10.19735 
1 1 1 -6  7  32 o 248.9027 5.795929 3048.277       141.2079 2871.000       233.7982 3150.081       177.1733 240.1112 9.969381 252.5683 7.173867 -12.45711      12.28222 
1 1 1 -6  7  33 o 263.7556 5.286968 3422.108       136.4943 3414.281       192.8214 3429.969       193.2435 262.6723 7.507243 263.2758 7.506393 -0.6035767     10.61624 
1 1 1 -6  7  34 o 131.1060 3.932953 844.8034       50.41460 762.1000       80.75498 897.6214       64.53549 124.0167 6.677089 134.9924 4.892173 -10.97572      8.277492 
1 1 1 -6  7  35 o 83.86896 4.076014 346.5056       33.36112 351.2483       40.56909 336.6000       58.62983 84.31531 4.937274 82.05107 7.378820 2.264236       8.878269 
1 1 1 -6  7  36 o 54.28687 4.308163 145.9408       22.70489 127.0206       31.30841 166.9296       32.97553 50.21798 6.523376 57.80508 5.911138 -7.587105      8.803181 
1 1 1 -6  7  37 o 111.0269 3.393058 606.3480       36.83118 588.6031       51.47599 624.9614       52.72060 109.1061 4.832015 112.4387 4.801303 -3.332657      6.811819 
1 1 1 -6  7  38 o 84.37878 3.483509 350.8047       28.70922 344.8155       40.49076 356.8595       40.71209 83.36148 4.985086 84.82359 4.924611 -1.462112      7.007345 
1 1 1 -6  7  39 o 56.30158 4.277297 157.3812       23.39560 157.5671       33.00768 157.1935       33.16563 55.92046 6.130673 55.84310 6.170322 0.7735443E-01  8.698162 
1 1 1 -6  7  40 o 18.01065 7.374120 6.390820       20.68980 2.139811       28.84568 10.89501       29.69227 19.92308 8.469161 21.75841 8.862198 -1.835329      12.25827 
1 1 1 -6  7  41 o 18.60589 7.419291 9.587815       20.33475 -7.586443      28.25261 28.04753       29.29085 18.13282 8.032568 25.25246 9.173323 -7.119642      12.19311 
1 1 1 -6  7  42 o 73.75296 3.803289 269.4948       27.36375 258.8887       37.99456 280.9246       39.44240 71.82532 5.444839 74.84333 5.420722 -3.018013      7.683131 
1 1 1 -6  7  43 o 53.06548 4.712778 141.0748       24.22475 138.3566       33.33157 144.1181       35.26837 51.94233 6.712641 52.93491 6.976364 -0.9925804     9.681384 
1 1 1 -6  7  44 o 41.23683 5.963210 87.18353       23.37169 65.38989       31.98084 112.1646       34.23978 34.75964 9.241215 46.19861 7.852497 -11.43898      12.12690 
1 1 1 -6  7  45 o 68.85891 5.997022 241.0168       40.01772 274.8000       58.98156 212.2000       54.47403 72.27126 8.499997 63.09789 9.081191 9.173367       12.43857 
1 1 1 -6  7  46 o 82.17518 4.385879 337.8228       35.15017 373.7000       63.61885 322.0581       42.17152 84.54219 7.774878 79.76823 5.433548 4.773964       9.485367 
1 1 1 -6  7  47 o 35.52729 7.760057 68.26463       26.22853 59.76000       43.94875 72.96940       32.68795 32.95773 11.30063 36.20863 9.204455 -3.250900      14.57485 
1 1 1 -6  7  48 o 61.50378 4.977279 192.0855       29.70822 165.5927       36.60632 243.2000       50.84677 56.20741 6.791103 67.55872 7.834169 -11.35132      10.36790 
1 1 1 -6  7  49 o 59.99790 4.996090 183.3470       29.07481 177.6846       36.76563 192.8000       47.50354 58.25074 6.562191 59.54030 8.382723 -1.289562      10.64577 
1 1 1 -6  7  50 o 92.44887 3.635735 426.9417       32.83617 448.7980       47.43254 406.8280       45.50229 93.81909 5.185269 89.28162 5.229627 4.537476       7.364511 
1 1 1 -6  7  51 o 59.05836 5.210822 178.9655       29.81404 138.1315       36.37120 262.6000       52.05229 50.54301 7.585654 69.81187 7.747663 -19.26886      10.84290 
1 1 1 -6  7  52 o 20.54333 7.927439 17.44259       22.57511 14.75810       31.32218 20.34455       32.56619 21.93198 9.036417 23.20833 9.343031 -1.276352      12.99804 
1 1 1 -6  7  53 o 60.57927 4.462850 186.6838       26.27744 219.0794       36.82321 153.0682       37.51012 64.78488 5.870524 53.09195 7.420341 11.69293       9.461739 
1 1 1 -6  7  54 o 31.71785 7.372110 56.05137       22.45141 71.69902       31.43814 39.76479       32.07357 35.01361 9.093116 26.90565 9.621716 8.107964       13.23866 
1 1 1 -6  7  55 o 21.01049 7.860699 20.70547       21.77859 26.62222       30.82467 14.80792       30.77456 23.83516 9.245524 21.55020 8.925546 2.284956       12.85088 
1 1 1 -6  7  56 o 24.26448 8.656803 31.24889       25.94772 27.85681       31.12383 38.98000       46.98736 24.09901 9.305873 27.89362 11.22493 -3.794613      14.58075 
1 1 1 -6  7  57 o 30.63676 7.746002 53.31393       23.23833 34.59774       31.98203 74.24697       33.82311 25.57250 9.534100 35.14880 9.573791 -9.576296      13.51135 
1 1 1 -6  7  58 o 21.89091 8.462733 21.75493       25.76071 33.05000       43.86786 15.80972       31.82626 26.52952 10.78440 21.84947 9.065569 4.680046       14.08857 
1 1 1 -6  7  59 o 60.76013 4.654118 189.9514       27.46906 199.7586       39.63837 180.8899       38.10143 60.71449 6.785775 57.67088 6.885476 3.043606       9.667292 
1 1 1 -6  7  60 o 43.32231 6.923352 103.2222       28.37063 119.0765       35.38560 74.69000       47.47024 45.61416 8.228051 33.68925 11.73546 11.92491       14.33255 
1 1 1 -6  7  61 f 28.44310 8.180164 47.38924       23.99003 38.93740       28.03724 70.49000       46.35246 25.97555 9.020727 32.60073 11.57665 -6.625177      14.67625 
1 1 1 -6  7  62 o 20.88961 7.767430 21.93960       21.20031 22.44750       24.06632 20.18000       44.79446 21.43831 8.207584 24.12885 10.41074 -2.690536      13.25700 
1 1 1 -6  8  1  o 622.8214 13.41579 19089.06       817.8731 18790.00       1396.693 19245.12       1008.953 614.1395 23.27633 624.2670 16.52633 -10.12750      28.54658 
1 1 1 -6  8  2  o 360.3865 6.851554 6365.358       241.6929 6576.338       349.5619 6172.118       334.5432 365.9163 9.768432 354.4994 9.650162 11.41687       13.73127 
1 1 1 -6  8  3  o 275.6001 5.367090 3720.458       144.7853 3691.162       204.0031 3750.191       205.5200 274.2930 7.605632 276.4796 7.601461 -2.186554      10.75304 
1 1 1 -6  8  4  o 287.3754 5.583786 4045.278       157.0669 4133.610       226.2708 3963.135       218.2011 290.2579 7.971679 284.2158 7.850887 6.042084       11.18857 
1 1 1 -6  8  5  o 264.9286 7.328128 3442.466       189.8501 3430.000       268.1214 3455.000       268.8572 264.1611 10.38973 265.1245 10.38020 -0.9634705     14.68656 
1 1 1 -6  8  6  o 169.4736 4.213245 1406.282       69.89162 1303.809       82.49109 1667.000       131.5795 163.0821 5.174214 184.2899 7.308743 -21.20779      8.954899 
1 1 1 -6  8  7  o 569.5386 10.61546 15918.12       591.7909 16350.79       854.6629 15519.61       820.2357 576.2250 15.16611 561.4293 14.93907 14.79578       21.28818 
1 1 1 -6  8  8  o 624.4413 11.61144 19144.36       709.7147 19372.17       1013.300 18924.99       994.3450 626.9119 16.52738 619.6605 16.40814 7.251404       23.28909 
1 1 1 -6  8  9  o 181.7579 4.428776 1617.581       78.79221 1747.000       140.8882 1558.681       95.04525 188.6477 7.645710 178.3136 5.451930 10.33408       9.390444 
1 1 1 -6  8  10 o 463.8004 10.05017 10553.71       456.2584 11700.00       849.8207 10089.48       540.8125 486.7310 17.86774 453.0586 12.20624 33.67242       21.63905 
1 1 1 -6  8  11 o 478.5867 8.969500 11232.41       420.1797 11556.24       607.0634 10934.59       582.1658 484.7634 12.80497 471.5673 12.62373 13.19617       17.98126 
1 1 1 -6  8  12 o 48.22933 3.508834 114.4794       16.45127 128.5930       22.31058 97.66090       24.35482 51.04694 4.511530 44.28100 5.755049 6.765945       7.312626 
1 1 1 -6  8  13 o 306.5428 5.923728 4603.330       177.7430 4576.469       250.5944 4630.523       252.1458 305.3863 8.391265 307.1856 8.393668 -1.799316      11.86874 
1 1 1 -6  8  14 o 406.4126 7.677634 8097.418       305.4223 7908.865       424.7336 8299.319       439.5101 401.1729 10.82620 410.9464 10.93613 -9.773529      15.38848 
1 1 1 -6  8  15 o 313.5284 6.998916 4818.258       214.7899 4606.965       254.5943 5340.000       400.0675 306.3495 8.498552 329.2976 12.43424 -22.94803      15.06107 
1 1 1 -6  8  16 o 250.1529 5.783347 3066.139       141.6091 2871.000       236.7111 3174.901       176.7197 241.5743 10.03247 254.3772 7.104380 -12.80290      12.29320 
1 1 1 -6  8  17 o 501.2250 9.395774 12338.50       460.9688 11809.78       631.2236 12942.69       674.7694 489.3651 13.18986 512.2335 13.46971 -22.86835      18.85220 
1 1 1 -6  8  18 o 395.2367 7.496914 7664.461       290.0321 7310.367       396.2986 8072.857       425.6020 385.3904 10.51529 404.9543 10.74671 -19.56393      15.03540 
1 1 1 -6  8  19 o 107.8854 3.130000 570.4011       33.01822 582.2831       46.30487 558.1104       47.09478 108.9374 4.351292 106.6374 4.522141 2.299973       6.275627 
1 1 1 -6  8  20 o 299.5191 6.715693 4401.955       196.8891 4169.000       327.3369 4534.012       246.4557 290.5341 11.53335 303.6606 8.299495 -13.12643      14.20914 
1 1 1 -6  8  21 o 133.1228 4.733284 869.6689       61.57854 0.000000       0.000000 869.6689       61.57854 ?        ?        133.1228 4.733284 ?              ?        
1 1 1 -6  8  22 o 134.1736 3.907273 882.7669       51.26066 955.4000       93.54482 851.5966       61.28054 139.3174 6.881039 131.7192 4.760826 7.598251       8.367447 
1 1 1 -6  8  23 o 221.5494 6.440322 2411.879       139.5157 2234.000       189.5850 2622.000       206.0521 212.7823 9.123731 230.5466 9.149037 -17.76422      12.92081 
1 1 1 -6  8  24 o 193.0653 4.761889 1827.756       89.98904 1753.000       153.1573 1867.171       111.2100 188.5249 8.320201 194.9557 5.834326 -6.430771      10.16194 
1 1 1 -6  8  25 o 253.5755 5.865763 3156.848       145.5922 3043.000       247.3894 3217.173       180.0799 247.9690 10.21429 255.6838 7.202590 -7.714767      12.49836 
1 1 1 -6  8  26 o 342.5036 7.630466 5773.964       255.8129 5546.000       432.0734 5897.003       317.4272 333.5215 13.26155 345.5051 9.394784 -11.98355      16.25210 
1 1 1 -6  8  27 o 248.6639 5.770925 3036.697       140.4638 3047.275       172.6655 3016.000       241.5287 248.7774 7.097945 246.7629 10.02045 2.014481       12.27966 
1 1 1 -6  8  28 o 179.0612 4.552557 1573.810       79.72797 1551.850       96.84383 1620.000       140.4503 177.6765 5.575369 181.1351 7.940911 -3.458664      9.702722 
1 1 1 -6  8  29 o 73.07611 4.212364 262.7787       30.00290 263.4215       36.32923 261.4000       53.20859 73.07227 5.111459 72.43768 7.618214 0.6345901      9.174105 
1 1 1 -6  8  30 o 172.8899 5.461653 1470.158       92.31126 1478.000       129.2740 1462.000       131.8601 172.9408 7.655703 171.9567 7.854826 0.9840546      10.96850 
1 1 1 -6  8  31 o 163.9122 4.329239 1319.500       69.39829 1486.000       124.9940 1245.302       83.44068 173.3941 7.381477 159.0841 5.366201 14.31001       9.125915 
1 1 1 -6  8  32 f 257.5715 5.184033 3261.636       130.6989 3208.583       183.3591 3316.434       186.3495 254.7820 7.360086 259.0331 7.357105 -4.251099      10.40663 
1 1 1 -6  8  33 o 198.5204 4.261133 1935.615       82.80116 1906.975       116.1549 1965.205       118.0655 196.6057 6.042979 199.5855 6.050478 -2.979858      8.551368 
1 1 1 -6  8  34 o 76.43272 3.559261 287.3663       26.55529 267.3001       36.66417 309.5081       38.51377 73.50448 5.128074 79.14101 4.997254 -5.636528      7.160285 
1 1 1 -6  8  35 o 95.60432 3.754708 449.7314       35.06829 392.0000       55.50301 488.0916       45.24300 88.77385 6.431018 99.46445 4.660005 -10.69060      7.941891 
1 1 1 -6  8  36 o 108.5849 3.895069 580.6268       41.33202 581.3060       50.21395 579.2000       72.78432 108.4883 4.740068 107.7356 6.938854 0.7526779      8.403329 
1 1 1 -6  8  37 o 50.12034 4.598371 124.9431       22.30805 116.1285       30.74028 134.7495       32.42368 47.85450 6.749893 51.65902 6.559971 -3.804520      9.412454 
1 1 1 -6  8  38 o 73.57901 3.644471 267.1375       26.16622 244.3960       36.22773 291.9401       37.83375 70.03971 5.324228 76.64348 5.071628 -6.603767      7.353150 
1 1 1 -6  8  39 o 71.30922 3.700719 251.2625       25.74243 235.2644       35.68319 268.6245       37.17309 68.63435 5.353811 73.40353 5.207563 -4.769188      7.468735 
1 1 1 -6  8  40 o 73.38744 3.678960 266.2708       26.34304 272.9314       37.04599 259.4579       37.46693 73.94857 5.150247 72.03544 5.351920 1.913132       7.427523 
1 1 1 -6  8  41 o 125.7799 3.502514 780.8992       43.07985 770.6768       60.19905 791.6293       61.67601 124.4279 4.952611 126.0870 5.007306 -1.659149      7.042831 
1 1 1 -6  8  42 o 91.16961 3.504967 410.8589       31.21983 383.7784       42.72873 441.8726       45.72660 87.65892 5.000611 94.08524 4.983019 -6.426323      7.059504 
1 1 1 -6  8  43 o 21.37234 7.840081 19.44130       21.47230 20.58577       29.17080 18.08788       31.72224 23.41745 9.018010 23.49394 9.299541 -0.7649422E-01 12.95399 
1 1 1 -6  8  44 o 74.28244 4.374089 275.1930       31.66311 280.0002       38.66125 265.4000       55.18045 74.59668 5.329926 71.39596 8.035329 3.200722       9.642335 
1 1 1 -6  8  45 o 25.50693 8.002036 33.76358       22.23529 52.84689       30.74195 12.82772       32.19957 31.28230 9.333771 22.44596 9.195769 8.836344       13.10273 
1 1 1 -6  8  46 o 62.90748 4.808912 199.4724       29.38670 193.3000       49.04647 202.9293       36.70451 60.09219 8.581890 62.93947 6.031579 -2.847279      10.48946 
1 1 1 -6  8  47 o 29.12651 8.618553 46.33605       26.29790 32.96000       47.99200 52.07587       31.43795 28.45091 11.38025 30.72433 9.495630 -2.273428      14.82151 
1 1 1 -6  8  48 o 54.27665 4.722144 149.3896       24.83810 121.0615       35.95410 175.2514       34.35332 47.27048 8.059359 58.15760 6.126638 -10.88712      10.12368 
1 1 1 -6  8  49 o 46.05288 6.263413 111.1128       27.50304 114.0248       34.98274 106.4000       44.50431 45.69951 8.117927 42.58928 10.69271 3.110233       13.42515 
1 1 1 -6  8  50 o 44.47940 6.597315 104.7550       27.85394 82.31873       34.76159 145.0000       46.55645 37.94250 9.406854 50.42970 9.784695 -12.48719      13.57310 
1 1 1 -6  8  51 o 30.08593 7.648890 50.10619       22.57117 95.28164       32.26807 6.826306       31.58383 41.41039 8.250672 20.69245 8.831228 20.71794       12.08570 
1 1 1 -6  8  52 o 77.44682 3.828188 301.4105       28.93043 302.8930       40.19836 299.8176       41.66887 76.66859 5.390906 76.10234 5.633758 0.5662537      7.797506 
1 1 1 -6  8  53 o 23.85873 8.053746 30.34115       22.31065 39.40697       31.06087 20.67836       32.06724 26.87879 9.483014 23.04113 9.272772 3.837662       13.26318 
1 1 1 -6  8  54 o 28.09570 7.747850 44.45739       21.99536 65.17051       31.35802 24.39670       30.86022 33.27101 9.280035 23.44409 9.205337 9.826921       13.07124 
1 1 1 -6  8  55 o 48.20512 5.110051 120.6043       23.74474 124.6475       33.50925 116.5267       33.65146 47.58759 7.437153 45.74315 7.794961 1.844437       10.77370 
1 1 1 -6  8  56 o 31.08798 8.439757 55.94215       26.33601 40.59031       31.40904 92.29000       48.32965 26.90286 9.531915 37.61863 11.79677 -10.71577      15.16645 
1 1 1 -6  8  57 o 19.75699 8.079675 12.79012       24.80225 4.274000       42.03372 17.33886       30.72010 22.22461 9.823709 21.91529 8.980611 0.3093204      13.31002 
1 1 1 -6  8  58 o 32.87755 7.377006 60.65060       23.15517 68.40968       34.03288 53.96310       31.59552 33.58558 9.768380 30.10081 9.551381 3.484768       13.66200 
1 1 1 -6  8  59 o 30.97393 8.655266 56.40152       27.25088 49.04060       33.88906 69.87000       45.84087 28.75384 9.920942 32.95594 11.52880 -4.202105      15.20981 
1 1 1 -6  8  60 o 36.41192 6.368736 72.28330       21.87263 72.98446       24.94342 69.95000       45.50248 36.02694 7.323185 32.77120 11.48456 3.255741       13.62073 
1 1 1 -6  8  61 o 42.45778 5.646108 96.23087       22.88347 85.05610       25.95797 135.2000       48.47431 39.00229 7.059275 45.68233 10.97763 -6.680046      13.05151 
1 1 1 -6  8  62 o 16.04178 7.172537 -3.358358      23.06769 -0.1721287     26.94567 -12.10000      44.63208 17.69311 7.840832 20.41299 9.448201 -2.719877      12.27791 
1 1 1 -6  9  1  o 764.2190 14.17490 28728.47       1060.337 29189.54       1517.082 28288.13       1482.598 768.0735 20.19655 756.1732 20.04838 11.90033       28.45765 
1 1 1 -6  9  2  o 299.5166 8.206242 4401.228       240.3599 4514.000       345.9594 4296.000       334.1867 302.9576 11.68833 295.5547 11.57405 7.402893       16.44919 
1 1 1 -6  9  3  f 239.2915 5.494952 2804.487       128.7056 2835.430       159.1511 2746.000       218.8048 240.4669 6.768312 236.4217 9.474229 4.045288       11.64350 
1 1 1 -6  9  4  o 348.0034 7.658087 5935.474       260.8615 5893.654       318.3128 6021.000       455.2075 346.5257 9.393191 349.7527 13.32099 -3.227020      16.29972 
1 1 1 -6  9  5  o 772.4556 16.57291 29394.26       1253.079 29587.68       1543.271 29020.00       2146.756 773.4343 20.40290 761.9947 28.83425 11.43964       35.32269 
1 1 1 -6  9  6  o 335.5373 6.426034 5515.466       211.0523 5313.433       291.5527 5737.887       305.9108 329.0519 9.060663 341.9431 9.147976 -12.89120      12.87560 
1 1 1 -6  9  7  o 116.6513 3.593715 666.8077       40.98463 609.2000       71.07272 695.5081       50.16565 111.3195 6.551638 119.1058 4.310066 -7.786308      7.842234 
1 1 1 -6  9  8  o 293.8953 6.573773 4231.710       189.1096 4827.000       357.0771 3999.656       222.9422 313.3203 11.66342 285.5415 7.984421 27.77887       14.13458 
1 1 1 -6  9  9  o 610.4235 13.13420 18314.40       784.7677 20680.00       1483.685 17395.51       924.7090 645.2088 23.53224 594.1119 15.91556 51.09692       28.40900 
1 1 1 -6  9  10 o 278.9771 5.448645 3811.903       148.7864 3920.820       214.6582 3711.190       206.4153 282.7184 7.764235 275.0583 7.674244 7.660156       10.91684 
1 1 1 -6  9  11 o 135.9905 3.290131 905.3510       43.79535 909.7289       62.20113 901.0469       61.67419 136.2193 4.671934 135.5678 4.654631 0.6514435      6.594889 
1 1 1 -6  9  12 o 347.7281 6.638887 5924.915       225.9651 5944.000       320.3319 5906.013       318.7993 347.9485 9.414088 346.8359 9.399132 1.112640       13.30296 
1 1 1 -6  9  13 o 321.0711 6.176396 5050.794       194.1076 4971.311       271.6107 5133.763       277.5034 318.2404 8.727613 323.3971 8.774604 -5.156616      12.37598 
1 1 1 -6  9  14 o 97.33281 3.617778 464.4840       34.40733 461.3232       40.62854 472.5000       64.70087 96.96517 4.291275 97.95237 6.790247 -0.9871979     8.032589 
1 1 1 -6  9  15 o 382.4085 8.397708 7174.495       314.3363 6956.000       533.6697 7290.567       388.9692 375.3495 14.55306 385.1121 10.32795 -9.762634      17.84539 
1 1 1 -6  9  16 f 15.72318 6.361389 4.957036       15.18061 -12.99820      18.92965 37.31373       25.41143 13.77228 6.292828 27.62940 8.536774 -13.85713      10.60548 
1 1 1 -6  9  17 o 256.5529 5.088817 3224.968       127.7909 3110.940       176.1935 3351.527       185.6221 251.7352 7.157824 261.2837 7.264954 -9.548508      10.19872 
1 1 1 -6  9  18 o 151.6183 3.504614 1125.752       52.01136 1133.653       73.24722 1117.716       73.86703 152.0249 4.928838 150.9461 5.006381 1.078842       7.025475 
1 1 1 -6  9  19 o 497.8790 9.349506 12190.91       455.6367 11559.55       619.8445 12933.11       672.0522 483.5112 13.10904 511.3189 13.43945 -27.80771      18.77408 
1 1 1 -6  9  20 o 244.9254 4.898904 2940.337       117.4462 2944.736       165.9082 2935.918       166.2803 244.8272 6.930096 244.4566 6.956243 0.3706055      9.819141 
1 1 1 -6  9  21 o 192.6199 5.694249 1821.506       107.2425 1713.000       145.3889 1951.000       158.8282 186.5055 7.982501 199.0342 8.169920 -12.52875      11.42226 
1 1 1 -6  9  22 o 140.8871 3.988498 973.3789       54.94772 1101.000       102.5415 921.9720       65.08019 149.5488 7.024668 137.0460 4.859192 12.50282       8.541529 
1 1 1 -6  9  23 o 103.5678 3.099417 525.8403       31.38499 498.2509       43.01575 557.2454       45.89408 100.7257 4.373381 106.5296 4.410832 -5.803955      6.211433 
1 1 1 -6  9  24 o 123.4866 3.235495 747.5095       39.07440 691.9891       53.06786 813.2532       57.74735 118.7100 4.575641 128.7045 4.591222 -9.994514      6.481960 
1 1 1 -6  9  25 o 145.2355 3.484641 1033.534       49.53785 1019.759       69.50848 1047.752       70.61893 144.0968 4.935360 146.0623 4.946566 -1.965530      6.987581 
1 1 1 -6  9  26 o 107.5230 4.657888 568.1237       48.90636 539.0000       70.06240 595.8000       68.29938 104.4686 6.890087 109.9258 6.374974 -5.457191      9.386884 
1 1 1 -6  9  27 o 188.7772 5.805952 1752.078       107.1550 1669.000       149.0299 1841.000       154.1815 183.8030 8.304971 193.0868 8.176316 -9.283829      11.65438 
1 1 1 -6  9  28 o 146.1794 3.550106 1047.330       50.79649 969.5911       69.06081 1138.959       74.97757 140.4571 5.031343 152.2447 5.038272 -11.78758      7.120295 
1 1 1 -6  9  29 o 388.2587 8.578213 7447.367       326.0049 7283.000       554.3433 7534.269       403.0754 380.0914 14.92898 389.4295 10.58411 -9.338074      18.30021 
1 1 1 -6  9  30 o 166.6537 5.307099 1365.949       86.46181 1332.000       118.2140 1405.000       126.7865 164.1934 7.374233 168.5694 7.704383 -4.376038      10.66475 
1 1 1 -6  9  31 o 110.5468 3.873151 600.2443       41.84518 588.7922       50.97755 623.9000       73.26653 109.3838 4.772724 112.3136 6.694876 -2.929756      8.221937 
1 1 1 -6  9  32 o 39.46287 6.335063 78.65499       23.64283 67.23741       28.30617 105.0000       42.99752 36.14485 8.190823 45.05827 10.00929 -8.913422      12.93350 
1 1 1 -6  9  33 o 170.4352 3.872977 1426.143       64.61160 1411.982       90.73694 1440.710       92.02588 169.2325 5.484894 170.9421 5.507087 -1.709610      7.772520 
1 1 1 -6  9  34 o 154.8792 3.672214 1177.907       55.67079 1169.915       78.49148 1185.996       78.97150 154.0063 5.214401 155.0633 5.210416 -1.056961      7.371459 
1 1 1 -6  9  35 o 54.77689 4.169752 148.4407       22.18902 162.9064       31.01888 133.2811       31.75407 57.16189 5.616311 51.48629 6.441450 5.675602       8.546065 
1 1 1 -6  9  36 o 127.6748 3.910984 802.7734       48.81855 709.9000       77.59133 863.6287       62.80824 119.3392 6.668911 132.2089 4.861722 -12.86971      8.252922 
1 1 1 -6  9  37 o 124.8402 3.942238 768.3129       48.11258 770.7772       58.76010 763.3000       83.80766 124.8181 4.818538 123.4921 6.961458 1.325943       8.466416 
1 1 1 -6  9  38 o 134.4490 3.515417 890.3635       46.22403 842.6308       63.71860 943.3886       67.15823 130.3661 5.002670 137.9582 4.981487 -7.592072      7.059881 
1 1 1 -6  9  39 o 109.0011 3.371848 585.6128       35.93210 574.1298       50.11931 597.7568       51.54188 107.5463 4.772947 109.7289 4.810493 -2.182610      6.776568 
1 1 1 -6  9  40 o 26.39983 7.558016 36.16697       20.52437 16.89175       28.64709 56.49638       29.42003 22.64077 8.875324 32.66469 8.941922 -10.02392      12.59878 
1 1 1 -6  9  41 f 92.58138 3.454079 423.3619       31.24640 406.1779       43.40602 441.8445       45.01611 90.25172 4.932216 94.15224 4.901500 -3.900520      6.953521 
1 1 1 -6  9  42 o 89.77279 4.000931 399.6992       35.06869 375.6605       42.51125 450.9000       62.04224 86.69260 5.031365 94.23422 6.771387 -7.541626      8.436013 
1 1 1 -6  9  43 o 34.74648 7.580839 63.89070       25.05630 50.73540       30.50359 91.18000       43.93361 30.90519 9.315151 40.61362 10.84673 -9.708427      14.29768 
1 1 1 -6  9  44 o 18.43314 7.493618 8.169888       21.18203 21.49330       29.26428 -6.491946      30.69901 23.54046 9.040957 18.95759 8.386742 4.582876       12.33192 
1 1 1 -6  9  45 o 29.89478 8.315001 48.14328       25.21349 102.4000       41.34660 16.02238       31.81316 42.95207 10.01898 22.89678 9.228476 20.05529       13.62148 
1 1 1 -6  9  46 o 32.17773 7.136369 55.38309       21.88794 35.33672       30.77764 75.89618       31.13386 26.65801 9.436528 37.19008 8.707080 -10.53207      12.83983 
1 1 1 -6  9  47 o 37.65392 6.337133 74.54874       22.52798 52.60914       31.79165 96.67629       31.92754 30.80393 9.553729 42.21806 8.019255 -11.41413      12.47326 
1 1 1 -6  9  48 o 44.66435 6.423535 104.7235       27.27617 116.6000       49.82324 99.64056       32.59453 44.29085 11.41929 42.74303 8.086754 1.547813       13.99271 
1 1 1 -6  9  49 o 50.46754 7.308800 136.1869       35.05499 152.6000       53.95807 124.2000       46.11190 50.83023 11.15209 46.21925 10.43991 4.610977       15.27616 
1 1 1 -6  9  50 o 39.89692 6.201021 83.93990       23.43020 58.57018       32.72499 110.6231       33.56146 31.99513 9.649409 45.00114 7.907681 -13.00601      12.47568 
1 1 1 -6  9  51 o 22.76022 8.481211 24.29055       25.30185 2.710315       30.73910 69.63000       44.55548 19.79904 8.583324 34.08526 11.38008 -14.28622      14.25412 
1 1 1 -6  9  52 o 75.93985 4.321602 291.9473       31.99074 254.0581       38.39290 378.0000       57.85965 70.00216 5.651160 84.17500 7.088212 -14.17284      9.065228 
1 1 1 -6  9  53 o 90.97916 3.619840 415.3440       32.17139 469.2275       46.42106 365.5463       44.62642 95.67760 4.973845 84.03387 5.454872 11.64373       7.382057 
1 1 1 -6  9  54 o 33.70718 6.949633 62.49319       22.16711 89.93312       31.73122 36.33661       30.98031 39.69039 8.428297 25.98689 9.435029 13.70350       12.65132 
1 1 1 -6  9  55 o 40.83947 6.896356 90.88339       26.58737 90.96001       32.22396 90.72000       47.05605 39.84102 8.520980 37.58370 11.61757 2.257317       14.40746 
1 1 1 -6  9  56 o 52.83939 5.429199 145.9535       27.68112 150.5000       45.89099 143.3533       34.70572 50.47448 9.640022 51.24537 7.110253 -0.7708893     11.97855 
1 1 1 -6  9  57 o 29.95147 7.662453 50.89841       22.55292 45.40151       32.27342 56.14462       31.52891 28.01386 9.680843 30.67981 9.513993 -2.665951      13.57331 
1 1 1 -6  9  58 o 42.39863 5.619709 95.04076       22.74857 97.88283       26.20926 86.36000       45.80536 42.52709 6.502508 36.44756 11.49218 6.079533       13.20427 
1 1 1 -6  9  59 o 21.88179 7.691262 25.05537       20.41824 22.74643       23.28101 32.75000       42.50008 21.64599 8.121346 26.17564 10.62438 -4.529642      13.37287 
1 1 1 -6  9  60 o 46.57901 5.096158 113.5504       22.85606 87.05655       25.79351 210.4000       49.31592 39.68053 6.890754 60.38095 8.585831 -20.70042      11.00904 
1 1 1 -6  9  61 o 54.50747 4.553155 153.7296       24.07092 136.4323       27.13077 217.7000       52.17505 50.66622 5.561967 60.53985 9.084796 -9.873634      10.65218 
1 1 1 -6  10 1  o 565.3682 10.53269 15684.91       582.8773 16078.07       839.3677 15318.74       810.0401 571.4409 15.01936 557.8122 14.84905 13.62866       21.12050 
1 1 1 -6  10 2  o 456.8776 12.16346 10259.02       543.4716 10170.00       764.4315 10350.00       772.8069 453.9289 17.23591 457.9259 17.27224 -3.996979      24.40096 
1 1 1 -6  10 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 4  o 282.5901 6.358763 3912.112       175.8879 3937.345       217.1689 3864.000       299.8683 283.3208 7.838456 280.3687 10.94789 2.952179       13.46468 
1 1 1 -6  10 5  o 423.1060 7.985694 8774.923       330.7258 8765.049       468.1859 8784.757       467.2493 422.3878 11.33426 422.8678 11.29867 -0.4799805     16.00392 
1 1 1 -6  10 6  o 246.5579 5.671151 2977.532       136.8663 2707.000       223.9138 3138.899       172.9329 234.7070 9.767850 253.0030 6.989758 -18.29599      12.01115 
1 1 1 -6  10 7  o 219.9937 5.132718 2370.185       110.5259 2409.000       192.5525 2351.112       134.9765 221.4641 8.900720 218.9798 6.303767 2.484314       10.90689 
1 1 1 -6  10 8  o 239.4913 5.515054 2809.262       129.2843 3208.000       242.5932 2651.096       152.7891 255.5323 9.716693 232.5113 6.720443 23.02103       11.81433 
1 1 1 -6  10 9  o 202.6604 4.199883 2011.008       83.31288 2016.122       118.2459 2005.967       117.4030 202.7831 5.963763 202.2729 5.936156 0.5101471      8.414536 
1 1 1 -6  10 10 o 45.45818 3.576632 101.7952       15.78638 107.5362       21.83304 95.50557       22.85246 46.60806 4.856891 43.82168 5.444752 2.786381       7.296212 
1 1 1 -6  10 11 o 422.8409 7.971930 8766.137       329.9488 8756.125       466.7032 8776.141       466.5331 422.0676 11.30691 422.5528 11.28975 -0.4852295     15.97826 
1 1 1 -6  10 12 o 34.24564 5.430915 58.86085       17.59791 55.88792       19.25154 73.97000       43.40034 33.24771 6.141773 38.37147 10.99220 -5.123760      12.59166 
1 1 1 -6  10 13 o 336.7781 7.465347 5560.776       246.0934 5294.000       413.5562 5707.032       306.2096 327.7711 12.91542 340.9002 9.185042 -13.12909      15.84844 
1 1 1 -6  10 14 o 216.5828 4.434278 2297.343       94.00547 2230.700       130.4690 2369.294       135.5650 213.2535 6.257124 219.7800 6.308163 -6.526550      8.885073 
1 1 1 -6  10 15 o 341.2459 6.533921 5708.840       218.2466 5504.451       300.8448 5935.899       317.0903 334.6792 9.192193 347.5364 9.329738 -12.85724      13.09734 
1 1 1 -6  10 16 o 298.6959 5.800249 4373.010       169.5829 4270.311       236.0674 4482.521       243.7710 294.8377 8.187804 302.0715 8.252264 -7.233734      11.62497 
1 1 1 -6  10 17 o 220.5021 5.175112 2382.720       111.6963 2632.000       203.2091 2274.800       133.7059 231.2700 8.993866 215.2859 6.351907 15.98415       11.01074 
1 1 1 -6  10 18 o 352.2155 6.733891 6086.664       232.1565 5856.441       319.2344 6345.094       338.2259 344.9427 9.463833 359.0190 9.633314 -14.07635      13.50425 
1 1 1 -6  10 19 o 151.6193 3.492262 1125.934       51.82837 1142.665       73.26549 1109.174       73.32732 152.6069 4.911170 150.3454 4.989668 2.261536       7.001170 
1 1 1 -6  10 20 o 184.0460 3.938666 1659.547       70.95479 1635.006       99.05870 1685.405       101.6832 182.5008 5.551713 185.2886 5.613004 -2.787827      7.894766 
1 1 1 -6  10 21 f 182.3049 3.915919 1628.410       69.87765 1545.403       95.44673 1724.292       102.5825 177.4154 5.502866 187.4019 5.598611 -9.986511      7.850222 
1 1 1 -6  10 22 o 260.9926 5.170728 3340.866       132.0949 3162.733       179.9822 3548.853       194.4799 253.5748 7.258792 268.5931 7.404374 -15.01826      10.36894 
1 1 1 -6  10 23 o 145.0910 4.035828 1032.547       57.26080 970.6000       98.31732 1064.346       70.44044 140.3284 7.181665 147.2348 4.894510 -6.906494      8.690947 
1 1 1 -6  10 24 o 109.7524 3.129413 590.5490       33.58454 564.2867       46.03324 620.4357       49.10705 107.1900 4.396772 112.3985 4.472446 -5.208496      6.271712 
1 1 1 -6  10 25 o 125.5851 3.749412 773.6530       46.03847 737.5168       55.20329 856.2000       83.43416 122.5414 4.610534 131.8326 6.485598 -9.291183      7.957386 
1 1 1 -6  10 26 o 230.7961 5.419531 2615.057       122.4324 2503.656       145.9193 2880.000       225.0322 225.5598 6.616286 241.2372 9.548892 -15.67731      11.61708 
1 1 1 -6  10 27 o 227.7436 5.413632 2546.840       120.6816 2472.000       206.7151 2585.537       148.6423 223.4204 9.473926 229.1838 6.632993 -5.763336      11.56511 
1 1 1 -6  10 28 o 137.0818 4.959539 923.6581       66.43712 0.000000       0.000000 923.6581       66.43712 ?        ?        137.0818 4.959539 ?              ?        
1 1 1 -6  10 29 o 187.2049 5.811196 1724.614       106.3562 0.000000       0.000000 1724.614       106.3562 ?        ?        187.2049 5.811196 ?              ?        
1 1 1 -6  10 30 o 172.6509 3.904257 1462.204       65.98019 1514.366       94.98367 1413.564       91.72195 175.4144 5.538883 169.4702 5.536778 5.944214       7.831675 
1 1 1 -6  10 31 o 141.2856 3.564020 979.6699       49.24899 1007.359       70.31728 953.0090       68.99863 143.0743 5.028867 139.1492 5.074359 3.925018       7.144132 
1 1 1 -6  10 32 o 146.4682 4.145439 1054.285       59.37218 1055.894       72.47038 1051.000       103.5404 146.4317 5.063760 145.6146 7.287546 0.8171844      8.874120 
1 1 1 -6  10 33 o 145.9632 4.144185 1047.659       59.14921 1049.982       72.40836 1043.000       102.5467 145.9530 5.076111 144.9353 7.251418 1.017624       8.851552 
1 1 1 -6  10 34 o 67.19164 3.615745 222.3671       23.69281 202.4055       32.45316 245.1490       34.66998 63.86462 5.237443 70.35351 5.068534 -6.488892      7.288405 
1 1 1 -6  10 35 o 66.72201 3.669574 219.4660       23.87347 200.7505       32.85762 240.3942       34.74582 63.54125 5.332055 69.60835 5.135752 -6.067101      7.403159 
1 1 1 -6  10 36 o 140.1025 3.537485 965.7529       48.47293 924.5548       66.83940 1011.459       70.40136 136.7181 5.003034 142.9969 5.037642 -6.278778      7.099872 
1 1 1 -6  10 37 o 45.89459 5.348413 105.7069       23.57687 96.94000       36.89089 111.7601       30.65411 43.00611 9.050563 46.84316 6.891307 -3.837051      11.37554 
1 1 1 -6  10 38 o 108.8382 3.852683 584.7425       40.97935 565.7534       49.77315 624.7000       72.20087 106.8099 4.772828 111.5768 6.640974 -4.766853      8.178167 
1 1 1 -6  10 39 o 54.09333 4.282875 145.5665       22.49204 132.8842       31.27209 159.1580       32.37360 51.15382 6.384168 56.16371 5.980714 -5.009892      8.747945 
1 1 1 -6  10 40 o 99.65316 3.418451 490.1037       33.29532 483.9086       46.46603 496.6412       47.73291 98.61357 4.828532 99.88200 4.897229 -1.268425      6.877323 
1 1 1 -6  10 41 o 26.84022 8.099056 37.31687       23.04962 45.14796       28.08832 21.17000       40.33283 29.40380 8.954853 26.04041 10.42706 3.363390       13.74457 
1 1 1 -6  10 42 o 54.87685 4.996771 151.2487       26.54609 152.7929       32.40800 148.1000       46.27818 54.80642 6.146881 52.71880 9.308430 2.087620       11.15487 
1 1 1 -6  10 43 o 101.1785 3.449924 506.4109       34.11681 505.4124       47.92895 507.4364       48.57443 100.5437 4.884706 100.7202 4.942116 -0.1765289     6.948731 
1 1 1 -6  10 44 o 27.15186 8.214013 38.79990       23.68715 12.27000       37.57917 56.28926       30.51170 23.69515 9.842813 32.24543 9.209984 -8.550283      13.47979 
1 1 1 -6  10 45 o 27.20545 7.637266 39.53263       21.16585 49.50421       29.52457 28.98949       30.35894 30.25357 9.174273 25.22877 9.310757 5.024809       13.07125 
1 1 1 -6  10 46 o 84.01723 3.589101 351.2446       29.44818 330.6965       40.86468 373.4430       42.47396 80.79406 5.194813 85.94254 5.071581 -5.148476      7.259960 
1 1 1 -6  10 47 o 38.52998 6.078566 77.66417       22.16570 83.11254       30.89877 71.88776       31.81540 38.87695 8.367772 35.81868 9.067457 3.058270       12.33849 
1 1 1 -6  10 48 o 19.88633 8.024672 12.25257       24.08623 23.11255       29.65637 -8.794000      41.28519 23.45900 9.077086 21.19474 9.526648 2.264259       13.15867 
1 1 1 -6  10 49 o 33.85604 8.223704 63.80568       26.97884 30.36000       49.11923 78.25434       32.28460 27.75045 11.36201 37.19736 8.971631 -9.446911      14.47707 
1 1 1 -6  10 50 o 59.30195 5.332763 180.8312       30.62451 173.1000       54.66483 184.3675       36.97087 54.37791 10.65142 59.21915 6.483970 -4.841244      12.46975 
1 1 1 -6  10 51 o 59.62505 5.344543 183.3163       30.86165 235.2000       55.03749 159.5206       37.27285 64.89929 8.897892 54.51720 7.157497 10.38209       11.41938 
1 1 1 -6  10 52 o 22.29974 7.931489 24.93262       21.76583 22.83712       29.64309 27.38408       32.06210 23.08417 9.034446 24.41145 9.440114 -1.327286      13.06664 
1 1 1 -6  10 53 o 40.96041 6.735280 90.79830       26.06611 83.70055       31.84806 105.2000       45.36589 38.11595 8.725134 41.09214 11.04333 -2.976196      14.07420 
1 1 1 -6  10 54 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  10 55 o 26.84563 8.348691 40.86256       24.25913 44.86000       41.18260 38.73840       30.02042 28.45385 10.77385 26.44367 9.323415 2.010180       14.24787 
1 1 1 -6  10 56 o 33.04403 8.029200 62.43662       25.71104 63.85114       32.25133 59.97000       42.58882 32.64046 9.513798 31.29396 11.09829 1.346504       14.61795 
1 1 1 -6  10 57 o 49.23954 4.779714 125.2391       22.74734 132.5656       26.11492 102.2000       46.30985 50.32491 5.385128 39.84203 11.33566 10.48288       12.54977 
1 1 1 -6  10 58 o 29.66792 7.282338 49.62001       20.98837 45.72144       23.96162 62.47000       43.50257 28.13654 8.200297 31.56903 11.21463 -3.432487      13.89291 
1 1 1 -6  10 59 o 30.91082 7.121752 53.58727       21.10442 43.58495       23.99906 87.71000       44.32671 27.46774 8.258817 36.72097 11.26220 -9.253229      13.96586 
1 1 1 -6  10 60 o 30.69319 7.274740 53.50381       21.51998 50.66980       24.47506 63.16000       45.17782 29.40379 8.197508 31.29311 11.38894 -1.889322      14.03236 
1 1 1 -6  10 61 o 17.51799 7.286728 8.561267       20.63541 5.809071       23.44612 18.02000       43.46581 17.74624 7.592289 23.62142 10.22361 -5.875187      12.73440 
1 1 1 -6  11 1  o 368.4877 8.110009 6656.230       292.5166 6977.158       370.6153 6126.000       476.3784 376.9691 10.05308 352.6939 13.82580 24.27527       17.09436 
1 1 1 -6  11 2  o 358.4318 9.674397 6306.828       339.1090 6374.000       483.8869 6242.000       475.3716 359.7794 13.76586 356.0449 13.66562 3.734467       19.39711 
1 1 1 -6  11 3  o 482.5562 10.45719 11427.65       493.9343 11032.18       590.4046 12350.00       901.6531 473.6503 12.74620 499.8817 18.45919 -26.23138      22.43228 
1 1 1 -6  11 4  o 364.2890 9.836581 6515.398       350.4280 6231.000       480.6840 6838.000       511.9527 355.6907 13.83278 372.5995 14.06247 -16.90875      19.72559 
1 1 1 -6  11 5  o 137.2140 3.287188 921.7066       44.14983 874.9830       61.67282 970.8209       63.23091 133.5879 4.723943 140.7289 4.596455 -7.140976      6.591134 
1 1 1 -6  11 6  o 432.0279 9.399792 9155.748       397.4992 9905.000       726.8458 8836.044       474.7906 447.9723 16.60493 424.0308 11.44975 23.94153       20.16979 
1 1 1 -6  11 7  o 243.1277 5.584291 2895.361       132.8950 2815.000       225.5383 2938.101       164.4818 239.3418 9.646867 244.7678 6.872069 -5.425964      11.84430 
1 1 1 -6  11 8  o 351.5529 6.713582 6056.050       231.0209 6115.053       329.6604 5999.111       323.8430 352.9120 9.551987 349.5570 9.473507 3.354919       13.45317 
1 1 1 -6  11 9  o 478.4015 8.973494 11226.51       420.2041 11426.59       602.8755 11037.46       586.0005 481.9166 12.79186 473.6615 12.65065 8.255096       17.99085 
1 1 1 -6  11 10 o 623.3175 11.61652 19090.24       708.7479 19386.98       1016.225 18809.21       988.9722 626.6483 16.58218 617.2979 16.38201 9.350342       23.30963 
1 1 1 -6  11 11 o 231.5780 5.416798 2627.031       122.7852 2602.879       149.0644 2678.000       216.5457 230.3648 6.617620 233.4024 9.498307 -3.037582      11.57630 
1 1 1 -6  11 12 o 156.8020 4.172702 1204.867       63.98661 1194.000       114.0505 1209.859       77.29810 155.8683 7.497359 157.0808 5.033854 -1.212479      9.030508 
1 1 1 -6  11 13 o 259.4202 5.136959 3296.908       130.4416 3205.429       181.3945 3394.870       187.7121 255.5694 7.258538 263.0151 7.298364 -7.445679      10.29332 
1 1 1 -6  11 14 o 126.1889 3.232249 780.1694       39.89095 759.4109       55.43861 802.4564       57.44344 124.4298 4.559494 127.9102 4.595529 -3.480347      6.473629 
1 1 1 -6  11 15 o 187.0808 3.979945 1714.138       72.88069 1644.944       100.5537 1790.716       105.7828 183.1153 5.616694 191.0604 5.662620 -7.945145      7.975746 
1 1 1 -6  11 16 o 320.5180 6.181636 5037.425       193.9376 4860.146       268.0659 5232.120       280.9241 314.4122 8.718775 326.2164 8.805913 -11.80420      12.39198 
1 1 1 -6  11 17 o 177.1216 3.833005 1536.649       66.45340 1510.266       92.67788 1564.568       95.33714 175.4410 5.403273 178.5652 5.460970 -3.124222      7.682288 
1 1 1 -6  11 18 o 289.9826 5.652144 4123.624       160.4321 4024.539       223.0202 4229.889       230.9585 286.0884 7.971892 293.2879 8.052762 -7.199524      11.33129 
1 1 1 -6  11 19 o 274.2276 5.394494 3687.747       144.7998 3780.320       208.2193 3601.050       201.5017 277.2611 7.679701 270.6129 7.614755 6.648132       10.81491 
1 1 1 -6  11 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  11 21 o 245.8459 7.047410 2972.036       169.4144 3318.000       256.6820 2705.000       225.5097 259.1322 10.13927 233.9950 9.867986 25.13725       14.14857 
1 1 1 -6  11 22 o 118.2665 3.157932 685.6198       36.52430 659.9103       50.25251 714.4095       53.17787 115.9361 4.436445 120.6289 4.511692 -4.692787      6.327511 
1 1 1 -6  11 23 o 223.5991 5.304819 2453.295       116.1039 2367.000       198.2625 2498.335       143.2330 218.8537 9.276121 225.4028 6.498769 -6.549042      11.32609 
1 1 1 -6  11 24 o 245.4766 7.018222 2965.881       168.4602 2826.000       233.0325 3119.000       243.8102 238.9200 9.986572 251.0327 9.942032 -12.11269      14.09169 
1 1 1 -6  11 25 o 253.8193 5.070095 3161.484       125.9641 3115.662       175.9939 3209.612       180.3670 251.5392 7.155291 255.2912 7.225238 -3.751999      10.16869 
1 1 1 -6  11 26 o 128.7075 3.327305 812.2737       41.88304 753.1592       56.71529 883.1815       62.11551 123.8144 4.688221 134.0851 4.740202 -10.27073      6.667003 
1 1 1 -6  11 27 o 308.0664 6.919811 4671.399       208.6627 4486.000       349.4984 4774.088       260.1080 299.9874 11.92621 310.8514 8.556733 -10.86404      14.67829 
1 1 1 -6  11 28 o 339.2254 7.563289 5674.435       251.1338 5729.000       435.4251 5647.236       307.4166 338.0388 13.18482 337.6358 9.310809 0.4030151      16.14096 
1 1 1 -6  11 29 o 281.5972 6.457467 3903.972       177.9904 3999.000       315.2261 3859.494       215.6585 283.0222 11.40211 279.4732 7.891420 3.549011       13.86660 
1 1 1 -6  11 30 o 269.3567 6.231766 3573.150       164.3028 3443.000       280.3495 3641.240       202.7768 262.4938 10.93520 271.3806 7.641274 -8.886810      13.34045 
1 1 1 -6  11 31 o 69.96602 4.559805 241.5029       31.05754 181.0000       58.41659 265.3433       36.66942 59.40353 10.42671 73.27615 5.145226 -13.87262      11.62711 
1 1 1 -6  11 32 o 104.7110 3.300517 538.3957       33.78608 552.9017       47.32502 523.3172       48.24986 105.9538 4.573961 103.0420 4.796995 2.911804       6.628143 
1 1 1 -6  11 33 o 142.5765 4.084583 999.8505       56.94479 1007.802       69.56483 983.7000       99.14063 142.9709 4.978508 140.6780 7.223974 2.292892       8.773332 
1 1 1 -6  11 34 f 71.70248 4.071987 253.6589       28.46150 256.3037       33.94629 247.4000       52.22170 71.95667 4.847939 70.07592 7.742298 1.880753       9.134861 
1 1 1 -6  11 35 o 71.70744 4.153983 254.0034       29.03168 217.4996       33.83022 356.0000       56.54947 66.14061 5.269057 84.31844 6.912350 -18.17783      8.691579 
1 1 1 -6  11 36 o 100.2745 3.283782 494.7774       32.18733 484.4677       44.95823 505.6187       46.10288 98.95329 4.654699 101.0908 4.671820 -2.137535      6.594856 
1 1 1 -6  11 37 o 41.70698 5.007854 87.30593       20.03562 96.67745       27.85208 77.25558       28.84320 43.50835 6.759315 38.51758 7.915128 4.990765       10.40854 
1 1 1 -6  11 38 o 17.60026 7.041672 8.083967       18.37890 24.59773       26.24170 -7.815131      25.74869 23.89308 8.682266 17.23850 7.650672 6.654579       11.57214 
1 1 1 -6  11 39 o 81.46733 3.966253 328.6010       31.53283 321.8206       38.74625 341.9000       54.26365 80.36323 4.949696 82.20354 6.804832 -1.840309      8.414584 
1 1 1 -6  11 40 o 113.0092 3.909076 632.0249       43.17573 651.5195       53.49610 595.6000       73.12472 114.4268 4.786832 108.4241 6.926424 6.002716       8.419567 
1 1 1 -6  11 41 o 18.55898 7.646402 6.550025       22.42607 -2.586852      27.14372 26.20000       39.80627 18.46602 8.035036 26.76354 10.47077 -8.297520      13.19844 
1 1 1 -6  11 42 o 65.04785 3.975548 210.3407       25.19167 195.1865       34.62116 227.3922       36.72462 62.12157 5.759249 67.13027 5.641117 -5.008705      8.061709 
1 1 1 -6  11 43 o 68.05878 4.414027 231.3176       29.24667 168.4000       46.03882 273.8879       37.86969 56.40876 8.610620 73.77486 5.279065 -17.36609      10.10007 
1 1 1 -6  11 44 o 25.29877 7.790381 33.40377       21.18340 20.67793       29.52942 46.89590       30.40550 23.32410 9.048668 29.68033 9.363733 -6.356228      13.02144 
1 1 1 -6  11 45 o 86.93702 3.567482 375.5958       30.29348 348.9820       42.26094 403.7238       43.44658 83.07617 5.223485 89.50524 4.978695 -6.429070      7.216106 
1 1 1 -6  11 46 o 57.25706 4.366072 165.0950       24.28503 172.7602       34.26901 157.3622       34.41993 57.80130 6.151384 54.95734 6.525750 2.843964       8.967995 
1 1 1 -6  11 47 o 48.37971 5.845545 121.2056       27.12126 106.0846       33.02991 152.5000       47.51722 44.23793 7.918704 52.11485 9.670986 -7.876926      12.49935 
1 1 1 -6  11 48 o 29.06788 8.749020 46.88206       26.92230 36.64000       48.67661 51.39595       32.31485 28.72994 11.47145 30.28896 9.665071 -1.559023      15.00026 
1 1 1 -6  11 49 o 63.26036 4.238888 201.9043       26.09613 192.4443       35.68443 212.7798       38.26117 60.80937 6.076465 63.89275 6.195545 -3.083378      8.678030 
1 1 1 -6  11 50 o 26.90823 7.953049 39.98549       22.40387 19.86777       30.30944 64.21648       33.26398 22.72497 9.059258 33.27818 9.651117 -10.55322      13.23685 
1 1 1 -6  11 51 o 48.30273 5.118422 120.3557       23.83210 119.0602       32.85381 121.7943       34.62311 46.78594 7.421509 47.10544 7.780511 -0.3195000     10.75245 
1 1 1 -6  11 52 o 46.94723 6.253943 116.9279       28.02470 154.1000       49.66422 99.56219       33.94542 50.94701 10.31335 41.89838 8.566444 9.048634       13.40706 
1 1 1 -6  11 53 o 66.93799 5.946085 235.4850       38.55423 324.5000       59.48357 171.0000       50.62843 76.56366 8.057874 53.76867 9.987208 22.79499       12.83252 
1 1 1 -6  11 54 o 20.64634 8.000800 18.33686       23.06647 3.095000       38.97633 26.55251       28.61562 21.51587 9.487235 23.47649 8.959155 -1.960617      13.04891 
1 1 1 -6  11 55 o 27.26826 8.436249 42.54517       24.80698 15.77847       30.96568 90.50000       41.44761 21.69523 8.966375 38.05204 10.68918 -16.35680      13.95186 
1 1 1 -6  11 56 o 69.54753 4.590230 247.9265       31.07329 273.6184       38.98952 203.2000       51.44369 72.33737 5.548907 59.15359 9.182311 13.18378       10.72871 
1 1 1 -6  11 57 o 21.10018 7.599082 22.37327       20.04527 23.78194       22.93740 17.82000       41.23833 21.90638 8.091576 23.83031 10.12805 -1.923927      12.96345 
1 1 1 -6  11 58 o 29.35565 7.245851 48.59340       20.69245 33.32417       23.50441 101.2000       43.62756 24.48494 8.266400 39.83904 10.88221 -15.35409      13.66586 
1 1 1 -6  11 59 o 23.74966 7.642160 31.46685       20.17231 31.18037       22.92368 32.45000       42.46653 23.78564 8.161343 25.97952 10.59208 -2.193872      13.37160 
1 1 1 -6  11 60 o 45.49746 5.093762 108.6798       22.29571 92.82859       25.15764 166.7000       48.13142 41.19578 6.450453 52.30975 9.759138 -11.11398      11.69825 
1 1 1 -6  11 61 o 21.54783 7.599945 24.91824       19.94880 35.64386       22.17583 -20.58000      45.67367 24.83512 8.014607 19.87203 9.316810 4.963085       12.28971 
1 1 1 -6  12 1  o 174.9253 5.367097 1500.094       91.78766 1379.000       125.3677 1640.000       134.7547 167.5549 7.664328 182.7638 7.548895 -15.20888      10.75768 
1 1 1 -6  12 2  o 264.0337 5.206418 3414.333       134.5565 3248.512       184.7929 3601.472       196.3123 257.3470 7.343518 270.9729 7.408378 -13.62589      10.43127 
1 1 1 -6  12 3  o 372.5392 7.081413 6801.417       258.2249 6478.026       353.4329 7171.706       378.1935 363.2038 9.950843 382.1479 10.11949 -18.94409      14.19237 
1 1 1 -6  12 4  o 378.4617 8.291884 7023.026       307.1718 6905.000       526.3120 7083.997       378.2815 374.3001 14.39219 379.7870 10.18500 -5.486847      17.63149 
1 1 1 -6  12 5  o 598.8058 12.89382 17628.84       755.7426 19170.00       1390.306 16982.48       900.3823 620.9955 22.91190 586.8813 15.68773 34.11420       27.76797 
1 1 1 -6  12 6  o 478.7666 10.37870 11252.09       486.3770 12240.00       893.5365 10836.13       579.7986 497.4147 18.38380 469.3266 12.63255 28.08813       22.30572 
1 1 1 -6  12 7  o 237.2136 4.763518 2755.746       110.6047 2678.006       154.2228 2838.077       158.7111 233.6698 6.749865 240.5578 6.747003 -6.887939      9.543727 
1 1 1 -6  12 8  o 117.5199 3.164720 676.6170       36.37117 632.5570       50.55844 723.8768       52.36217 113.5609 4.557660 121.5019 4.410109 -7.941055      6.342029 
1 1 1 -6  12 9  o 149.3766 4.104833 1093.444       59.96149 1079.914       72.39591 1123.000       107.0039 148.4032 4.990946 151.1820 7.252061 -2.778763      8.803518 
1 1 1 -6  12 10 o 134.0984 4.666683 881.7816       61.16117 0.000000       0.000000 881.7816       61.16117 ?        ?        134.0984 4.666683 ?              ?        
1 1 1 -6  12 11 o 326.5085 6.279220 5224.921       200.6811 5248.691       285.1527 5201.596       282.4780 326.8947 8.920096 325.4294 8.876207 1.465271       12.58393 
1 1 1 -6  12 12 o 118.2162 3.145401 684.7091       36.36412 634.1113       50.13512 740.8784       52.82338 113.6918 4.514095 122.9116 4.397720 -9.219772      6.302142 
1 1 1 -6  12 13 o 531.3821 9.957535 13878.43       517.9228 13993.50       738.9361 13767.31       726.1384 532.2296 14.19677 527.9533 14.06386 4.276245       19.98351 
1 1 1 -6  12 14 o 52.62370 3.688682 136.2828       18.87989 143.2629       23.50799 123.6000       31.68786 53.89147 4.497417 49.76066 6.673921 4.130810       8.047855 
1 1 1 -6  12 15 o 237.5677 4.777852 2765.430       111.1031 2672.843       154.0482 2865.798       160.3907 233.3230 6.752272 241.6008 6.788995 -8.277802      9.575157 
1 1 1 -6  12 16 o 264.7147 5.219289 3434.858       135.2370 3353.293       188.0825 3522.167       194.5917 261.2489 7.362426 267.7417 7.432285 -6.492798      10.46156 
1 1 1 -6  12 17 f 166.9995 3.685859 1366.089       60.25040 1259.385       81.14059 1497.228       89.95309 160.1945 5.181507 174.6745 5.267164 -14.48001      7.388574 
1 1 1 -6  12 18 o 569.7382 10.68692 16011.76       595.9831 16437.50       859.2813 15617.10       827.3217 574.7214 15.28825 560.3000 15.09884 14.42139       21.48733 
1 1 1 -6  12 19 o 293.3249 5.711473 4221.036       163.9847 4157.408       229.3845 4287.544       234.5195 290.6475 8.070712 295.1537 8.125270 -4.506256      11.45235 
1 1 1 -6  12 20 o 170.5307 3.743855 1424.829       62.49249 1388.132       86.52058 1464.856       90.35985 168.1477 5.263293 172.7274 5.350966 -4.579727      7.505671 
1 1 1 -6  12 21 o 309.3736 5.994810 4698.855       181.5369 4522.431       249.8597 4896.117       264.2042 302.9351 8.434579 315.1763 8.572025 -12.24118      12.02588 
1 1 1 -6  12 22 o 237.2856 5.554121 2763.466       129.0010 2642.000       218.8459 2828.144       159.6947 231.1438 9.694274 239.7795 6.811024 -8.635727      11.84774 
1 1 1 -6  12 23 o 220.4827 5.192536 2385.481       112.0625 2290.345       133.9824 2607.000       204.4474 215.8079 6.349605 229.6857 9.111798 -13.87778      11.10596 
1 1 1 -6  12 24 o 104.5421 3.085938 535.8778       31.54344 505.6614       42.58865 572.5961       46.94754 101.4584 4.298182 107.9623 4.452124 -6.503960      6.188358 
1 1 1 -6  12 25 o 136.1702 3.992945 909.8495       53.16334 816.9000       90.87208 958.2177       65.55217 128.6251 7.247010 139.6663 4.802152 -11.04120      8.693665 
1 1 1 -6  12 26 o 215.6804 5.119318 2283.678       108.0759 1983.000       168.9402 2491.980       140.6138 200.2315 8.640081 225.0199 6.390591 -24.78841      10.74666 
1 1 1 -6  12 27 f 280.8451 5.539130 3875.493       152.2701 3785.701       211.7751 3971.600       219.0963 276.9227 7.820693 283.6209 7.899758 -6.698242      11.11618 
1 1 1 -6  12 28 o 169.1504 3.799853 1403.110       62.91383 1344.390       86.52398 1468.986       91.64380 165.3247 5.353841 172.8124 5.424506 -7.487656      7.621606 
1 1 1 -6  12 29 o 203.8936 4.313149 2040.579       86.08041 2090.038       123.4070 1993.711       120.1312 205.9543 6.128386 201.1524 6.108407 4.801819       8.652731 
1 1 1 -6  12 30 o 156.1939 3.665968 1196.828       56.04787 1195.004       78.89193 1198.688       79.64068 155.8067 5.180175 156.0397 5.221627 -0.2329712     7.355243 
1 1 1 -6  12 31 o 264.2610 6.144536 3443.866       158.9382 3491.000       280.5388 3421.586       192.8792 263.7235 10.89114 262.8121 7.505486 0.9114685      13.22684 
1 1 1 -6  12 32 f 152.5762 4.281379 1145.191       63.87738 1176.000       116.4471 1131.931       76.39774 153.7251 7.764009 151.5144 5.158868 2.210754       9.321683 
1 1 1 -6  12 33 o 105.8794 3.939915 551.7699       40.76117 552.6000       75.21374 551.4247       48.50103 105.2294 7.348381 105.7206 4.698633 -0.4911728     8.722147 
1 1 1 -6  12 34 o 32.86712 6.095500 55.16786       18.88810 72.01479       24.97035 32.63688       28.87715 37.46697 7.067881 26.58679 9.158638 10.88018       11.56873 
1 1 1 -6  12 35 o 68.08211 4.128667 229.1445       27.38438 218.6973       32.01915 257.6000       52.84364 66.35628 4.965724 71.36813 7.685544 -5.011848      9.150191 
1 1 1 -6  12 36 o 97.73733 3.822655 471.1985       36.50005 423.1725       42.25381 612.4000       72.45152 92.43013 4.685600 110.5842 6.725216 -18.15408      8.196547 
1 1 1 -6  12 37 o 83.53174 3.942229 344.9051       32.14197 315.1586       37.46179 427.9000       62.57435 79.64013 4.828313 92.13445 6.990714 -12.49432      8.496039 
1 1 1 -6  12 38 o 47.83934 4.391320 114.1555       20.33380 108.4450       28.55878 120.0269       28.95805 46.09906 6.510086 48.61921 6.227745 -2.520149      9.009219 
1 1 1 -6  12 39 o 72.72659 3.934906 262.0976       27.90701 259.3727       34.80932 267.0000       46.68971 72.08429 4.963731 72.59097 6.644633 -0.5066757     8.293960 
1 1 1 -6  12 40 o 76.22463 3.999254 288.2371       29.73436 272.7641       36.63646 318.1000       50.89707 73.83255 5.100785 79.18571 6.627319 -5.353157      8.362976 
1 1 1 -6  12 41 o 57.11739 4.211010 162.5904       23.37741 166.1706       32.18918 158.5945       34.00698 57.28655 5.821276 55.77980 6.340934 1.506744       8.607827 
1 1 1 -6  12 42 o 90.41335 3.927282 405.8068       34.67319 399.0000       56.23858 409.9807       44.03920 88.55727 6.533910 90.48762 4.991485 -1.930351      8.222342 
1 1 1 -6  12 43 o 94.50259 3.465125 442.2599       31.99874 471.3022       45.82762 414.6299       44.69955 97.02658 4.840654 90.90404 5.043354 6.122543       6.990519 
1 1 1 -6  12 44 o 87.25238 3.453824 377.6303       29.43912 398.7928       42.16957 357.5112       41.11679 89.09527 4.853798 84.27442 5.007020 4.820847       6.973493 
1 1 1 -6  12 45 o 67.31552 3.810120 226.1319       25.00249 222.5920       35.58869 229.5819       35.13344 66.07728 5.553768 67.19147 5.387055 -1.114189      7.737229 
1 1 1 -6  12 46 o 75.28245 4.375576 285.0796       32.10402 257.5337       38.90161 343.9000       56.84644 70.90156 5.652144 80.87266 7.258287 -9.971100      9.199428 
1 1 1 -6  12 47 f 20.13381 8.093395 13.00396       24.39873 -10.13000      48.02349 21.05301       28.32704 22.63371 10.21509 22.76785 8.854259 -0.1341362     13.51835 
1 1 1 -6  12 48 f 39.79865 5.882972 82.86555       22.22801 80.23701       31.08013 85.61773       31.80262 37.88734 8.580657 39.19159 8.532701 -1.304249      12.10102 
1 1 1 -6  12 49 o 36.72760 6.364481 71.70578       22.05167 95.52462       30.55192 45.80238       31.86079 41.79974 7.752601 28.75521 9.623701 13.04454       12.35793 
1 1 1 -6  12 50 o 66.29763 3.992462 221.4135       25.78861 241.3486       36.46219 201.4599       36.47903 68.38000 5.493822 62.07889 6.081275 6.301117       8.195363 
1 1 1 -6  12 51 o 18.21526 7.324704 10.67656       19.99152 13.15644       28.15630 8.155395       28.38971 20.85732 8.577891 19.99918 8.447217 0.8581409      12.03892 
1 1 1 -6  12 52 o 29.70680 7.950308 49.91664       23.57271 48.20777       29.88638 52.73000       38.34698 28.93018 9.301297 30.07300 10.54266 -1.142818      14.05923 
1 1 1 -6  12 53 o 47.41847 6.989793 122.2804       31.47088 104.0000       42.53152 144.4000       46.78500 41.13432 10.52216 49.15369 10.06307 -8.019379      14.55958 
1 1 1 -6  12 54 o 39.23130 6.272961 82.65475       23.27751 71.59975       27.37709 111.5000       44.22266 35.47780 8.066713 42.49649 10.65286 -7.018688      13.36246 
1 1 1 -6  12 55 o 20.23321 7.782855 17.94845       21.70976 9.971052       26.01447 36.25000       39.40293 19.49621 8.151019 26.60332 10.41480 -7.107107      13.22524 
1 1 1 -6  12 56 o 27.86933 7.897837 44.34000       22.52482 26.75146       26.66748 88.13000       42.07796 23.16154 8.691546 37.31147 10.86457 -14.14993      13.91337 
1 1 1 -6  12 57 o 17.09149 7.544983 -1.417374      24.71816 4.108057       31.14535 -10.82000      40.62887 19.73752 8.597377 20.11904 9.202774 -0.3815174     12.59388 
1 1 1 -6  12 58 o 18.92194 7.936934 9.064543       24.78910 13.80479       30.88161 0.4764000      41.56705 21.19135 8.871769 21.51773 9.624044 -0.3263836     13.08933 
1 1 1 -6  12 59 o 18.61407 7.319774 13.98079       19.53785 17.85787       22.04017 -0.2442000     42.21709 20.11631 7.813765 21.43587 9.634419 -1.319557      12.40471 
1 1 1 -6  12 60 o 56.57481 4.307449 164.6532       23.67404 179.5121       26.87587 113.2000       50.01219 58.81174 4.707948 40.48328 11.86060 18.32846       12.76082 
1 1 1 -6  12 61 o 23.52858 7.676118 31.60918       20.31071 36.01116       22.59957 13.12000       46.31640 24.85969 8.096195 23.27782 10.29956 1.581865       13.10073 
1 1 1 -6  13 1  o 635.8638 13.67496 19894.77       851.1306 20650.00       1514.966 19546.45       1028.851 643.7771 24.08394 629.2225 16.71965 14.55457       29.31864 
1 1 1 -6  13 2  o 628.9830 13.54888 19465.16       834.1584 20480.00       1495.940 19007.23       1004.889 641.1874 23.87714 620.5150 16.55953 20.67242       29.05746 
1 1 1 -6  13 3  o 184.3557 5.563118 1666.391       100.2730 1623.000       141.6294 1710.000       141.9861 181.7613 7.980050 186.5944 7.791082 -4.833115      11.15267 
1 1 1 -6  13 4  o 490.6524 10.62669 11821.68       510.3616 11930.00       888.9919 11768.43       623.3104 490.8826 18.53509 488.9628 13.03496 1.919830       22.65965 
1 1 1 -6  13 5  o 175.5805 3.818306 1509.457       65.62255 1438.911       91.50132 1584.168       94.16457 171.3019 5.464052 179.7552 5.357780 -8.453247      7.652560 
1 1 1 -6  13 6  o 546.6155 10.21294 14670.78       546.4354 14523.52       769.0431 14820.94       776.5644 542.7842 14.48791 548.3193 14.48165 -5.535156      20.48457 
1 1 1 -6  13 7  o 181.8826 3.910999 1619.848       69.62819 1603.068       98.71780 1636.459       98.22232 180.8056 5.584683 182.6861 5.499121 -1.880508      7.837667 
1 1 1 -6  13 8  o 500.2610 10.85132 12297.57       531.3558 12608.06       662.9986 11740.00       888.4496 505.8291 13.40249 486.5234 18.69095 19.30569       22.99953 
1 1 1 -6  13 9  o 201.5248 4.873815 1989.351       96.13994 1849.000       162.4999 2064.934       119.2494 193.9206 8.582228 205.1883 5.943678 -11.26770      10.43944 
1 1 1 -6  13 10 o 229.1666 5.346145 2573.177       119.9219 3005.000       228.2719 2408.568       140.9372 247.1751 9.452412 221.5604 6.505759 25.61472       11.47488 
1 1 1 -6  13 11 o 199.4914 4.177430 1949.160       81.57169 1833.676       111.8352 2080.444       119.2401 193.3290 5.916800 205.9382 5.921481 -12.60919      8.370929 
1 1 1 -6  13 12 o 95.52147 2.995598 447.1817       27.97393 418.8887       39.22682 476.4600       39.90411 92.37242 4.350675 98.54173 4.146319 -6.169312      6.010020 
1 1 1 -6  13 13 o 43.07211 3.738467 91.54236       15.60550 88.68332       21.61080 94.65771       22.55872 42.20191 5.351750 43.61575 5.399212 -1.413841      7.602153 
1 1 1 -6  13 14 f 215.4296 4.416161 2273.779       93.12289 2278.285       132.0711 2269.324       131.3234 215.4363 6.269672 215.0142 6.246394 0.4220734      8.850210 
1 1 1 -6  13 15 o 116.9259 3.127599 669.9792       35.76332 659.3663       50.37989 680.7597       50.77638 115.9179 4.448435 117.7886 4.411847 -1.870712      6.265219 
1 1 1 -6  13 16 o 177.5397 3.845011 1544.140       66.81892 1469.312       91.78124 1628.527       97.46732 173.0173 5.426197 182.1546 5.472747 -9.137375      7.706788 
1 1 1 -6  13 17 o 122.7312 3.175346 738.2189       38.11424 784.1201       54.45325 694.1317       53.36652 126.4133 4.407475 118.9151 4.593493 7.498138       6.366004 
1 1 1 -6  13 18 o 208.3880 4.316959 2128.281       88.05557 2079.372       122.9545 2179.780       126.1664 205.7453 6.112094 210.6568 6.125245 -4.911545      8.653111 
1 1 1 -6  13 19 o 120.7181 3.134922 714.2585       37.01157 700.2960       51.03581 729.7483       53.75448 119.4484 4.372420 121.9266 4.511904 -2.478134      6.282940 
1 1 1 -6  13 20 o 182.8173 5.711041 1641.972       102.0718 1646.000       144.8619 1638.000       143.8461 182.6877 8.121299 182.2488 8.083683 0.4389191      11.45868 
1 1 1 -6  13 21 o 135.1799 3.766048 896.2054       49.78299 877.1194       60.65527 935.6000       87.14236 133.6586 4.643286 137.8449 6.476620 -4.186295      7.969110 
1 1 1 -6  13 22 o 261.7486 7.393976 3373.813       189.2488 3253.000       263.7615 3502.000       271.6912 256.2026 10.54023 265.8674 10.46051 -9.664734      14.84987 
1 1 1 -6  13 23 o 115.3977 3.802571 653.4200       42.89307 652.4000       77.57717 653.8692       51.47733 114.9646 6.925996 115.3716 4.567411 -0.4069290     8.296425 
1 1 1 -6  13 24 o 196.1689 4.846920 1888.220       93.06841 1776.000       158.1521 1947.670       115.1101 189.5503 8.545997 199.0213 5.915481 -9.471008      10.39360 
1 1 1 -6  13 25 o 270.1957 7.604797 3599.962       200.9278 0.000000       0.000000 3599.962       200.9278 ?        ?        270.1957 7.604797 ?              ?        
1 1 1 -6  13 26 o 175.9632 4.553761 1520.378       78.36700 1407.000       133.4765 1580.021       96.80932 168.6609 8.108837 179.2458 5.524344 -10.58490      9.811810 
1 1 1 -6  13 27 o 67.62330 3.329009 224.6858       21.96749 198.0650       28.41795 264.2121       34.62786 63.35699 4.614014 73.19640 4.860681 -9.839409      6.701891 
1 1 1 -6  13 28 o 273.6250 5.426545 3680.828       145.3401 3426.242       196.0034 3991.798       216.6239 263.3133 7.612734 284.1665 7.795389 -20.85321      10.89595 
1 1 1 -6  13 29 o 200.7269 4.258178 1978.039       83.66343 1954.948       117.5132 2001.774       119.1395 199.1514 6.035294 201.5218 6.046710 -2.370407      8.543271 
1 1 1 -6  13 30 o 93.81933 3.266551 432.2021       29.95193 435.3660       41.65099 428.8137       43.10320 94.01974 4.539260 93.28181 4.736198 0.7379227      6.560218 
1 1 1 -6  13 31 o 126.6626 3.373178 787.7771       41.78370 796.4542       58.95723 779.0208       59.22584 127.1549 4.745263 125.7405 4.820976 1.414391       6.764565 
1 1 1 -6  13 32 o 43.22866 4.494746 92.91801       18.74144 122.4838       24.61481 52.13713       28.90879 49.59401 5.145299 31.85075 8.919897 17.74326       10.29751 
1 1 1 -6  13 33 o 162.5014 4.408405 1301.117       70.05572 1290.000       124.6658 1306.247       84.69299 160.5961 7.955365 162.5705 5.329504 -1.974396      9.575565 
1 1 1 -6  13 34 o 35.57545 8.656569 66.08160       29.85356 83.11000       49.31255 56.23000       37.50800 39.82660 11.80629 33.27038 10.38645 6.556213       15.72472 
1 1 1 -6  13 35 o 21.22393 8.039341 16.63545       22.93561 -55.14000      46.43581 39.79574       26.37771 19.12249 9.092910 28.06790 8.701849 -8.945415      12.58583 
1 1 1 -6  13 36 o 95.34682 3.252506 447.6794       30.31058 466.5302       42.76916 428.6576       42.96276 97.06255 4.514024 92.97536 4.736432 4.087181       6.542950 
1 1 1 -6  13 37 o 67.41890 4.214112 225.4776       27.67048 217.8785       32.36962 246.1000       53.32420 66.07679 5.042845 69.28790 8.009817 -3.211113      9.465065 
1 1 1 -6  13 38 o 17.88146 7.754773 -2.227025      25.10924 -2.227025      25.10924 0.000000       0.000000 17.88146 7.754773 ?        ?        ?              ?        
1 1 1 -6  13 39 o 56.87845 4.940412 162.0458       27.23279 151.7964       31.39441 193.2000       54.73480 54.75195 5.953719 60.41291 9.575021 -5.660961      11.27510 
1 1 1 -6  13 40 o 38.09916 5.756169 74.24071       20.79743 72.47252       29.03239 76.10449       29.80692 36.91916 8.242664 37.83952 8.278325 -0.9203606     11.68213 
1 1 1 -6  13 41 o 30.17185 8.322362 48.44458       25.37487 44.86000       35.20580 52.32000       36.60613 29.78261 10.11649 31.62005 10.30447 -1.837444      14.44041 
1 1 1 -6  13 42 o 114.2108 3.428820 645.3127       38.28830 662.1603       54.63453 629.0524       53.67392 115.0750 4.861380 112.1364 4.901862 2.938591       6.903714 
1 1 1 -6  13 43 f 37.63535 6.026536 73.30035       21.45204 69.44418       30.72079 76.97002       29.96872 35.70039 8.838691 37.77853 8.328838 -2.078133      12.14463 
1 1 1 -6  13 44 o 54.03013 4.482569 146.9024       23.49340 150.3693       33.64539 143.6036       32.81938 53.87377 6.512317 52.63451 6.508751 1.239262       9.207286 
1 1 1 -6  13 45 o 19.15180 7.954645 7.629400       24.54038 1.256937       30.15753 20.12000       42.22151 19.68519 8.517911 25.47499 10.49337 -5.789804      13.51538 
1 1 1 -6  13 46 o 23.96975 8.414634 28.66939       24.43431 46.12000       47.85030 22.51405       28.41879 30.35852 11.58536 23.14528 8.904183 7.213238       14.61181 
1 1 1 -6  13 47 o 54.48269 4.458315 150.3059       23.56808 157.6651       33.92170 143.4384       32.76880 54.84798 6.441057 52.22696 6.553966 2.621025       9.189216 
1 1 1 -6  13 48 o 52.73069 4.640983 141.4177       23.70992 143.2644       33.85553 139.6403       33.21543 51.98606 6.817416 51.33971 6.774869 0.6463509      9.611244 
1 1 1 -6  13 49 o 62.41365 4.199369 196.7475       25.50555 247.3358       37.86826 154.7430       34.50629 69.18166 5.641065 54.05244 6.662796 15.12921       8.730089 
1 1 1 -6  13 50 o 27.57336 7.511594 42.11919       20.81947 74.27982       31.14858 16.14966       27.99034 36.00303 8.892024 21.42613 8.648979 14.57689       12.40455 
1 1 1 -6  13 51 o 76.18412 5.320805 299.4988       39.42842 299.4988       39.42842 0.000000       0.000000 76.18412 5.320805 ?        ?        ?              ?        
1 1 1 -6  13 52 o 28.92337 7.457295 46.92065       21.24767 37.13385       24.53272 76.30000       42.50563 25.80426 8.437433 34.93399 11.07759 -9.129730      13.92492 
1 1 1 -6  13 53 o 21.73501 7.558927 24.53344       19.69016 28.82181       22.29436 9.327000       41.98191 23.25522 8.045680 22.89938 9.978018 0.3558369      12.81771 
1 1 1 -6  13 54 o 32.07157 6.790992 56.62271       20.65387 66.56201       23.56124 23.64000       42.92036 34.62996 7.186512 25.03957 10.46925 9.590397       12.69847 
1 1 1 -6  13 55 o 19.05815 7.345238 15.39503       19.36378 17.86915       22.14490 7.359000       39.91025 20.28574 7.845242 22.16571 9.692128 -1.879978      12.46937 
1 1 1 -6  13 56 o 26.04975 7.515634 38.28318       20.22042 19.50290       22.89390 104.9000       43.11822 20.81035 7.995531 40.91638 10.66066 -20.10603      13.32584 
1 1 1 -6  13 57 o 37.85357 6.720877 78.63705       23.99014 81.49929       28.32877 71.38000       45.10812 37.80210 7.910477 33.21804 11.44657 4.584061       13.91401 
1 1 1 -6  13 58 o 16.22446 7.030601 1.496562       20.60540 -3.282862      23.67808 16.41000       41.82612 16.41365 7.307518 23.57305 10.11395 -7.159393      12.47766 
1 1 1 -6  13 59 o 43.52943 5.740012 101.2439       23.86149 108.9027       27.80473 79.84000       46.48215 44.62099 6.561907 34.40034 11.62476 10.22066       13.34892 
1 1 1 -6  13 60 o 29.94404 10.10630 56.93467       35.13183 56.93467       35.13183 0.000000       0.000000 29.94404 10.10630 ?        ?        ?              ?        
1 1 1 -6  14 1  o 501.9374 10.87199 12378.16       534.1522 13210.00       968.6046 12014.64       640.3185 516.0748 19.20818 493.8731 13.25768 22.20172       23.33924 
1 1 1 -6  14 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  14 3  o 258.5354 7.246484 3279.610       183.1998 0.000000       0.000000 3279.610       183.1998 ?        ?        258.5354 7.246484 ?              ?        
1 1 1 -6  14 4  o 273.6155 5.380794 3667.678       144.1097 3555.487       200.4015 3787.821       207.3815 269.1566 7.614238 277.8163 7.633399 -8.659729      10.78172 
1 1 1 -6  14 5  o 568.2206 10.62267 15865.57       590.8222 15599.09       824.3596 16147.02       847.2062 562.1154 14.99592 571.8590 15.14874 -9.743591      21.31577 
1 1 1 -6  14 6  o 281.5725 7.840948 3892.111       215.8947 3663.000       293.5620 4162.000       318.6172 272.7413 11.01888 290.7225 11.21760 -17.98120      15.72420 
1 1 1 -6  14 7  o 524.0278 11.34288 13507.39       581.8138 12350.00       946.3398 14210.72       737.7060 498.2947 19.43966 536.5966 14.05735 -38.30188      23.98977 
1 1 1 -6  14 8  o 419.3419 9.159098 8636.248       375.9475 9449.000       693.2219 8297.613       447.4647 436.7130 16.24529 410.5468 11.14530 26.16617       19.70095 
1 1 1 -6  14 9  o 9.920268 4.709461 -15.49268      12.35558 -6.608717      22.83479 -19.17042      14.69210 16.53916 7.278430 10.71328 5.100047 5.825883       8.887408 
1 1 1 -6  14 10 o 161.1194 5.102955 1273.311       80.37627 0.000000       0.000000 1273.311       80.37627 ?        ?        161.1194 5.102955 ?              ?        
1 1 1 -6  14 11 o 205.0497 4.267077 2059.631       85.64380 2005.498       120.2644 2115.329       121.9913 202.1512 6.084841 207.6246 6.008983 -5.473389      8.551793 
1 1 1 -6  14 12 o 122.5610 3.169616 736.0472       37.99273 681.0228       52.75496 795.3356       54.76082 117.8066 4.583708 127.3363 4.400119 -9.529724      6.353851 
1 1 1 -6  14 13 o 114.0552 3.101054 637.4856       34.58815 642.5044       50.01430 632.8850       47.88521 114.4236 4.474146 113.5733 4.315289 0.8503723      6.216084 
1 1 1 -6  14 14 o 294.3337 5.732653 4248.729       165.1589 4145.622       230.4039 4357.704       236.8702 290.3261 8.115661 297.6614 8.137469 -7.335297      11.49271 
1 1 1 -6  14 15 o 154.1229 3.520033 1163.534       53.10314 1098.956       72.97802 1236.207       77.41675 149.6381 4.989434 158.7174 4.989351 -9.079224      7.056067 
1 1 1 -6  14 16 o 191.5032 4.062377 1797.006       76.14870 1757.085       106.7726 1838.330       108.6326 189.1610 5.773386 193.4923 5.742101 -4.331253      8.142709 
1 1 1 -6  14 17 o 300.7280 5.850765 4437.814       172.2236 4533.363       247.4628 4348.063       239.8380 303.4236 8.340009 297.1718 8.253250 6.251770       11.73337 
1 1 1 -6  14 18 o 194.8229 4.104119 1860.199       78.26473 1923.985       112.7236 1800.831       108.7495 197.9106 5.825219 191.4681 5.809344 6.442551       8.226886 
1 1 1 -6  14 19 o 105.1560 3.672926 542.4906       37.74723 597.5000       71.83413 521.5069       44.36636 110.0714 6.699024 103.0439 4.408902 7.027512       8.019685 
1 1 1 -6  14 20 o 86.12053 3.733124 364.1431       31.39443 326.1000       40.08545 424.5000       50.49078 81.37357 5.057656 92.82971 5.582519 -11.45614      7.532887 
1 1 1 -6  14 21 o 114.4139 4.521542 642.9710       50.53773 779.6000       82.87984 562.1000       63.76377 125.7462 6.758440 106.7958 6.125469 18.95042       9.121287 
1 1 1 -6  14 22 o 187.8609 4.703640 1732.313       86.42414 1706.000       151.3956 1745.032       105.2599 185.8422 8.343949 188.4185 5.713936 -2.576279      10.11289 
1 1 1 -6  14 23 o 129.5165 3.950889 823.1407       50.02858 829.8000       94.00816 820.5096       59.09103 129.6072 7.441485 129.2406 4.678792 0.3666382      8.790154 
1 1 1 -6  14 24 o 214.7588 6.316678 2269.737       132.6397 0.000000       0.000000 2269.737       132.6397 ?        ?        214.7588 6.316678 ?              ?        
1 1 1 -6  14 25 o 155.6195 3.585016 1187.169       54.60864 1116.843       74.13873 1270.575       80.73936 150.7377 5.031833 160.7743 5.137126 -10.03662      7.190926 
1 1 1 -6  14 26 o 321.1963 7.234236 5085.453       227.4413 4724.000       376.8578 5292.533       285.2474 307.1297 12.56224 326.9457 8.921666 -19.81607      15.40798 
1 1 1 -6  14 27 f 174.9024 3.864688 1500.541       66.16319 1377.750       88.77793 1653.946       99.22984 167.3235 5.427712 183.3258 5.536182 -16.00229      7.753023 
1 1 1 -6  14 28 o 176.0591 3.882195 1520.883       66.90244 1455.527       92.11146 1593.859       97.33302 171.9325 5.480302 179.9146 5.533553 -7.982101      7.788063 
1 1 1 -6  14 29 o 142.5265 3.473294 996.4714       48.45555 917.4103       65.50869 1091.988       72.00389 136.5123 4.910537 148.9449 4.945691 -12.43254      6.969450 
1 1 1 -6  14 30 o 97.10265 3.199351 463.0041       30.36727 454.0964       41.52895 473.2404       44.51834 96.01591 4.430715 97.99114 4.654674 -1.975227      6.426292 
1 1 1 -6  14 31 o 159.3514 3.677908 1247.049       57.36712 1257.065       81.13741 1237.037       81.12130 159.6335 5.199608 158.3454 5.241096 1.288132       7.382751 
1 1 1 -6  14 32 o 128.8858 3.338948 816.2418       42.08770 831.8530       59.39622 800.4987       59.64656 129.8653 4.680264 127.3670 4.792894 2.498306       6.699008 
1 1 1 -6  14 33 o 117.8260 3.798516 683.5735       43.75155 638.6009       51.42179 801.5000       83.26805 113.7121 4.629600 126.8014 6.732984 -13.08934      8.171062 
1 1 1 -6  14 34 o 73.64405 3.274442 267.0938       23.54473 286.6614       32.32385 244.9778       34.36432 76.12115 4.356411 70.21867 5.033139 5.902481       6.656636 
1 1 1 -6  14 35 o 110.7541 3.883314 605.1820       42.03353 669.0000       79.82825 580.7006       49.44281 115.3965 7.101769 108.2926 4.675443 7.103981       8.502641 
1 1 1 -6  14 36 o 151.0582 4.253591 1128.258       62.83097 1179.000       114.5492 1106.422       75.14350 152.6797 7.689620 149.2340 5.151922 3.445724       9.255947 
1 1 1 -6  14 37 o 97.23107 4.802382 470.0163       45.56402 496.8000       70.60359 450.9000       59.64759 98.95844 7.341283 94.62522 6.479003 4.333221       9.791421 
1 1 1 -6  14 38 o 26.40109 9.188146 33.09697       29.09536 -9.751000      48.00272 57.98000       36.58073 23.61439 10.46506 33.16653 10.24160 -9.552147      14.64267 
1 1 1 -6  14 39 o 74.70589 3.557474 276.1671       25.93900 280.1322       35.91934 271.8457       37.49813 74.86801 4.928881 73.64993 5.235667 1.218079       7.190694 
1 1 1 -6  14 40 o 63.44006 5.306445 202.4313       32.64978 212.4000       41.19924 185.6000       53.53376 64.52371 6.616881 58.97440 9.603984 5.549316       11.66275 
1 1 1 -6  14 41 o 45.90505 5.914814 107.6796       25.96010 116.6510       30.73386 85.34000       48.49811 47.49974 6.804378 39.10318 11.73658 8.396568       13.56639 
1 1 1 -6  14 42 o 60.76971 5.714204 187.4871       33.59097 160.1000       41.61444 238.7000       56.90636 55.20232 7.928834 67.05533 8.888766 -11.85301      11.91120 
1 1 1 -6  14 43 o 67.19608 3.837339 225.0020       25.13454 258.2329       37.23927 197.1969       34.06383 71.41253 5.366728 62.23827 5.653130 9.174263       7.794848 
1 1 1 -6  14 44 o 41.52589 6.827887 90.85624       26.78937 89.70055       32.82820 93.16000       46.34959 40.50226 8.549495 40.04250 11.32299 0.4597549      14.18816 
1 1 1 -6  14 45 f 93.32919 5.179842 442.3466       47.13390 442.4000       69.05195 442.3000       64.49584 91.28088 7.803173 91.76664 7.238851 -0.4857635     10.64380 
1 1 1 -6  14 46 o 26.85655 7.467899 39.24244       20.34089 66.66937       30.29242 16.72126       27.44991 34.42814 8.918249 21.65669 8.625306 12.77145       12.40690 
1 1 1 -6  14 47 o 29.07092 7.148479 46.06507       20.19697 63.77647       30.13675 31.62434       27.21226 33.55269 8.993678 24.95809 8.869359 8.594604       12.63138 
1 1 1 -6  14 48 o 29.09197 7.254520 46.37185       20.58649 65.88433       31.05588 31.07686       27.49554 33.95923 9.141744 24.79367 8.903603 9.165558       12.76110 
1 1 1 -6  14 49 o 49.06945 5.870051 125.9295       27.63544 136.0107       33.96986 106.2000       47.52232 50.31232 7.094551 41.57292 11.35828 8.739399       13.39191 
1 1 1 -6  14 50 o 27.37284 7.539051 41.61537       20.84050 41.61537       20.84050 0.000000       0.000000 27.37284 7.539051 ?        ?        ?              ?        
1 1 1 -6  14 51 o 26.58784 7.643967 39.48393       20.95150 24.47561       24.16599 84.91000       42.04276 22.43610 8.302168 37.05337 10.87979 -14.61727      13.68561 
1 1 1 -6  14 52 o 19.00943 7.253010 15.51545       18.75215 3.950703       20.92656 62.65000       42.24736 16.92003 7.203806 31.99205 11.07519 -15.07202      13.21191 
1 1 1 -6  14 53 o 26.10358 7.483582 38.21825       20.10863 42.08027       22.91614 25.29000       41.92799 27.20975 8.043792 25.15195 10.41781 2.057802       13.16181 
1 1 1 -6  14 54 o 33.78072 6.349237 62.00002       20.22354 75.40124       22.91375 14.77000       43.01632 37.23770 6.524130 23.72107 10.21815 13.51663       12.12332 
1 1 1 -6  14 55 o 19.74695 7.302680 18.46849       18.69261 22.12312       21.00775 4.575000       40.96039 21.16415 7.756264 21.98262 9.707975 -0.8184700     12.42596 
1 1 1 -6  14 56 o 46.95320 4.831862 114.2261       21.89015 101.2724       24.84961 159.1000       46.25074 43.55426 5.987102 51.89745 9.452874 -8.343189      11.18938 
1 1 1 -6  14 57 o 34.11780 6.384896 63.58270       20.53910 58.42793       23.21307 82.17000       44.07942 32.06498 7.525944 35.47525 11.28455 -3.410267      13.56396 
1 1 1 -6  14 58 o 28.71636 7.252743 46.82404       20.38835 59.17263       23.05432 2.503000       43.67658 32.23819 7.454714 22.03227 9.858900 10.20592       12.36004 
1 1 1 -6  14 59 o 35.85952 6.910993 71.94705       23.37823 71.94705       23.37823 0.000000       0.000000 35.85952 6.910993 ?        ?        ?              ?        
1 1 1 -6  14 60 o 21.62821 7.907301 24.58773       21.81382 32.50919       25.30151 1.649000       43.05549 24.01051 8.550254 21.51012 9.693352 2.500389       12.92548 
1 1 1 -6  15 1  o 344.4787 9.364281 5832.407       315.4568 0.000000       0.000000 5832.407       315.4568 ?        ?        344.4787 9.364281 ?              ?        
1 1 1 -6  15 2  o 496.4802 10.76100 12120.48       522.9508 0.000000       0.000000 12120.48       522.9508 ?        ?        496.4802 10.76100 ?              ?        
1 1 1 -6  15 3  o 365.4423 8.059948 6553.610       288.3083 6699.000       506.0448 6483.737       350.8115 368.2029 14.06680 363.1117 9.879410 5.091125       17.18946 
1 1 1 -6  15 4  o 248.4466 7.053609 3029.726       171.3605 2913.000       236.8236 3158.000       248.2616 243.2550 9.967306 253.2847 10.03355 -10.02969      14.14282 
1 1 1 -6  15 5  o 234.0415 6.753922 2688.331       154.5613 2688.331       154.5613 0.000000       0.000000 234.0415 6.753922 ?        ?        ?              ?        
1 1 1 -6  15 6  o 105.3444 3.568996 544.0594       36.74822 521.7000       68.77195 552.9951       43.47543 102.9090 6.866632 106.1728 4.191590 -3.263809      8.044879 
1 1 1 -6  15 7  o 259.5510 5.155933 3301.148       130.9894 3044.990       176.8459 3612.507       194.9717 249.0192 7.263068 271.2416 7.350376 -22.22238      10.33345 
1 1 1 -6  15 8  o 390.5693 7.414634 7485.979       283.4615 7254.426       392.9630 7737.167       409.2852 383.8257 10.46929 396.3793 10.55834 -12.55353      14.86891 
1 1 1 -6  15 9  o 325.9961 7.253891 5215.411       231.4673 5914.000       437.0145 4943.016       272.8883 345.8815 12.93087 317.0438 8.801969 28.83765       15.64231 
1 1 1 -6  15 10 o 316.4781 6.116692 4912.051       189.4814 4684.374       260.4375 5168.104       276.1900 308.6216 8.629739 324.1617 8.712321 -15.54016      12.26283 
1 1 1 -6  15 11 o 253.4972 5.038773 3149.745       125.0271 3065.306       174.6305 3238.545       179.0836 249.7850 7.149814 256.7543 7.132684 -6.969315      10.09926 
1 1 1 -6  15 12 o 235.2653 4.738269 2712.751       109.1149 2644.455       152.5213 2784.351       156.1667 232.0215 6.722864 238.0865 6.707807 -6.064972      9.496924 
1 1 1 -6  15 13 o 152.2155 3.996987 1135.959       59.50068 1137.000       101.8073 1135.420       73.32780 152.0244 6.859297 152.1091 4.931530 -0.8473206E-01 8.448073 
1 1 1 -6  15 14 o 316.3473 6.116968 4911.059       189.4116 4931.551       269.3375 4891.009       266.4232 316.4531 8.703500 315.1617 8.644557 1.291321       12.26700 
1 1 1 -6  15 15 o 157.3979 4.183774 1214.940       64.40034 1028.000       105.9741 1324.400       81.09163 144.4278 7.522154 164.2665 5.049366 -19.83873      9.059741 
1 1 1 -6  15 16 f 183.4316 3.932573 1648.771       70.60854 1623.137       99.11928 1675.182       100.6085 181.8020 5.576568 184.6970 5.571414 -2.894928      7.882814 
1 1 1 -6  15 17 o 171.7794 3.773072 1445.937       63.44135 1481.682       91.14932 1412.350       88.35515 173.6990 5.367493 169.5866 5.329342 4.112411       7.563853 
1 1 1 -6  15 18 o 81.93089 2.978129 329.2264       23.84373 321.4740       32.81836 337.8936       34.70057 80.87640 4.159588 82.91062 4.290421 -2.034218      5.975775 
1 1 1 -6  15 19 o 304.6322 6.828363 4562.291       203.6098 4625.984       252.1751 4443.000       345.1100 306.2804 8.419551 299.0645 11.81250 7.215942       14.50599 
1 1 1 -6  15 20 o 90.09533 3.820898 398.5658       33.61916 366.1000       44.00125 444.1000       52.11003 86.21153 5.239000 94.94017 5.632764 -8.728638      7.692539 
1 1 1 -6  15 21 o 285.5881 5.600128 4005.015       156.5468 3934.434       219.1758 4078.523       223.6741 282.4783 7.934724 287.6033 7.953031 -5.125031      11.23435 
1 1 1 -6  15 22 o 218.9559 6.384050 2358.953       136.6769 0.000000       0.000000 2358.953       136.6769 ?        ?        218.9559 6.384050 ?              ?        
1 1 1 -6  15 23 o 388.5362 10.57190 7491.346       401.6864 0.000000       0.000000 7491.346       401.6864 ?        ?        388.5362 10.57190 ?              ?        
1 1 1 -6  15 24 o 242.4353 5.686860 2888.429       134.9505 2825.000       233.5700 2920.213       165.3406 238.5225 10.02654 243.4219 6.946373 -4.899384      12.19769 
1 1 1 -6  15 25 o 204.6185 4.285048 2054.311       85.82362 1969.564       117.9845 2149.544       125.0711 200.0155 6.033257 208.9444 6.121934 -8.928894      8.595246 
1 1 1 -6  15 26 f 108.4063 3.889319 577.2052       41.20312 504.0000       74.36397 609.6348       49.49516 100.7632 7.595628 111.3424 4.551058 -10.57915      8.854699 
1 1 1 -6  15 27 o 265.7225 6.153283 3477.650       160.0448 3365.000       274.3221 3535.780       197.0579 259.4599 10.82529 267.4093 7.536064 -7.949432      13.19011 
1 1 1 -6  15 28 o 104.1873 3.146385 532.7328       32.05052 538.4169       44.32861 526.5065       46.39449 104.6124 4.338485 103.4138 4.594808 1.198601       6.319392 
1 1 1 -6  15 29 o 97.61528 3.105924 467.7929       29.63888 469.3232       40.61663 466.0499       43.34797 97.64268 4.259949 97.25909 4.566111 0.3835907      6.244720 
1 1 1 -6  15 30 o 153.0664 3.573999 1150.334       53.54765 1160.680       75.53946 1139.884       75.91759 153.4311 5.036668 152.0327 5.108773 1.398376       7.174091 
1 1 1 -6  15 31 o 144.3859 3.485348 1023.897       49.25805 949.2398       66.71906 1113.348       73.03083 138.6946 4.922358 150.2069 4.974044 -11.51222      6.997909 
1 1 1 -6  15 32 o 41.16957 4.098559 84.23553       16.29717 100.9198       20.35237 54.41951       27.20739 45.00420 4.688827 32.36458 8.485900 12.63962       9.695132 
1 1 1 -6  15 33 o 54.41264 3.458416 146.1564       18.32441 136.8833       23.41231 160.8195       29.44053 52.47265 4.604958 56.76221 5.362394 -4.289555      7.068304 
1 1 1 -6  15 34 o 125.8491 3.308509 779.4205       40.72038 777.9564       57.02627 780.9436       58.16526 125.3942 4.654207 125.6100 4.739285 -0.2158279     6.642475 
1 1 1 -6  15 35 o 71.89410 3.243489 254.8209       22.76628 265.2468       30.84263 242.3399       33.74561 73.14862 4.326967 69.76208 4.974514 3.386536       6.593060 
1 1 1 -6  15 36 o 64.83571 3.861456 208.2104       24.39494 250.8031       30.18485 128.0000       41.42255 71.06963 4.360078 49.36977 8.899049 21.69986       9.909760 
1 1 1 -6  15 37 o 56.37819 3.757961 157.6133       20.61973 168.5707       27.32971 143.1332       31.41707 58.06812 4.852623 53.12349 6.155690 4.944622       7.838398 
1 1 1 -6  15 38 o 45.95277 6.827505 108.7201       29.77808 0.000000       0.000000 108.7201       29.77808 ?        ?        45.95277 6.827505 ?              ?        
1 1 1 -6  15 39 o 24.14814 8.924394 25.00851       27.90852 0.000000       0.000000 25.00851       27.90852 ?        ?        24.14814 8.924394 ?              ?        
1 1 1 -6  15 40 o 34.75900 7.476976 63.90386       24.68343 98.93000       53.97506 54.64166       27.75582 41.86852 12.33644 31.92149 8.663527 9.947021       15.07463 
1 1 1 -6  15 41 o 71.99400 4.433467 258.9017       31.09098 352.1000       65.76381 232.0750       35.28306 82.06757 8.300703 67.82947 5.357724 14.23811       9.879620 
1 1 1 -6  15 42 o 26.15602 7.274992 36.31249       19.30087 51.71986       26.90510 19.97711       27.70352 30.90344 8.587100 22.74469 8.780530 8.158747       12.28153 
1 1 1 -6  15 43 o 22.33908 8.600763 19.80174       26.52958 -0.8645000     32.84820 58.57000       44.99031 20.22559 8.819318 32.86986 11.42634 -12.64427      14.43404 
1 1 1 -6  15 44 o 51.81897 7.413568 142.6572       36.53276 188.6000       57.03831 110.7000       47.57103 57.64471 10.49537 43.50402 11.12797 14.14069       15.29655 
1 1 1 -6  15 45 o 34.16623 7.324803 63.22340       23.76051 52.34175       28.31750 89.11000       43.67620 30.64510 8.909698 38.90117 10.98862 -8.256067      14.14682 
1 1 1 -6  15 46 o 29.01353 6.878815 45.60160       19.23643 45.38133       28.51982 45.78545       26.05572 28.63360 9.073220 28.72909 8.597949 -0.9548378E-01 12.49992 
1 1 1 -6  15 47 o 28.84442 6.844411 45.15873       19.03191 46.24389       21.28910 40.84000       42.47071 29.00897 7.456919 28.55613 10.91050 0.4528389      13.21532 
1 1 1 -6  15 48 o 18.73316 7.087866 14.72724       17.81608 11.42845       19.55291 30.86000       43.24027 18.32741 7.286076 26.80319 10.77436 -8.475784      13.00668 
1 1 1 -6  15 49 o 14.36543 6.490599 -7.620203      19.45089 -7.620203      19.45089 0.000000       0.000000 14.36543 6.490599 ?        ?        ?              ?        
1 1 1 -6  15 50 o 20.39296 7.569417 19.19028       20.11658 7.662811       22.97732 57.03000       41.62999 18.38005 7.670637 31.14690 10.97939 -12.76684      13.39349 
1 1 1 -6  15 51 o 41.95403 5.186706 91.76199       20.84647 66.14437       23.25873 196.4000       47.00687 34.61000 7.103818 59.13142 8.353943 -24.52143      10.96597 
1 1 1 -6  15 52 o 14.75915 6.483453 -1.666695      18.04447 -3.231481      20.12967 4.734000       40.71203 15.26558 6.770386 22.04060 9.708275 -6.775021      11.83591 
1 1 1 -6  15 53 o 16.73307 6.902965 7.136891       18.30841 0.5632380      20.36721 34.81000       41.78853 16.04559 6.971220 26.64346 10.63202 -10.59786      12.71368 
1 1 1 -6  15 54 o 50.33173 4.394894 129.8027       21.43496 133.4774       24.12001 116.0000       46.74722 50.76414 4.915603 42.75512 11.08050 8.009022       12.12191 
1 1 1 -6  15 55 o 33.80751 6.370116 62.24520       20.30676 56.45716       22.76783 84.76000       44.90450 31.59947 7.478145 36.13268 11.37669 -4.533215      13.61440 
1 1 1 -6  15 56 o 21.22870 7.483175 23.34880       19.33844 27.56096       21.68405 6.978000       42.74873 22.70949 7.930219 22.52625 9.934129 0.1832409      12.71123 
1 1 1 -6  15 57 f 23.51504 7.443118 30.74666       19.19724 37.83364       21.60079 4.112000       41.87573 25.76526 7.854134 21.97292 9.754023 3.792334       12.52311 
1 1 1 -6  15 58 o 32.40726 7.232790 59.49413       22.36096 59.49413       22.36096 0.000000       0.000000 32.40726 7.232790 ?        ?        ?              ?        
1 1 1 -6  15 59 o 17.02866 7.211658 6.069707       20.78296 15.06575       23.91774 -21.66000      41.99205 19.70370 7.980152 18.98210 8.910333 0.7216072      11.96147 
1 1 1 -6  16 1  o 274.3651 7.668051 3697.523       205.7283 0.000000       0.000000 3697.523       205.7283 ?        ?        274.3651 7.668051 ?              ?        
1 1 1 -6  16 2  o 302.0768 5.867669 4473.462       173.4959 4311.000       339.1232 4531.060       201.9218 295.5642 11.74533 303.9286 6.787431 -8.364441      13.56547 
1 1 1 -6  16 3  o 414.0855 9.068516 8426.149       367.5636 8120.000       619.8906 8592.152       456.4647 404.5638 15.68358 417.5565 11.17832 -12.99268      19.25953 
1 1 1 -6  16 4  o 248.7163 7.074399 3037.631       172.0516 2932.000       238.6246 3152.000       248.2990 243.9393 10.01502 252.9346 10.04907 -8.995316      14.18747 
1 1 1 -6  16 5  o 295.7526 8.200541 4299.172       237.1690 3924.000       315.8737 4784.000       359.0803 281.9617 11.46897 311.3001 11.80576 -29.33835      16.45944 
1 1 1 -6  16 6  o 200.4480 4.857832 1968.946       95.31261 1714.000       154.3229 2126.168       121.1891 186.5883 8.471773 208.1460 5.954372 -21.55771      10.35497 
1 1 1 -6  16 7  o 303.8579 5.899094 4527.609       175.4535 4447.293       245.9200 4610.877       250.3980 300.7388 8.362188 306.2242 8.361648 -5.485321      11.82554 
1 1 1 -6  16 8  o 283.1612 6.398699 3933.637       177.3502 4186.000       320.8633 3822.621       212.8130 291.1494 11.28029 278.8648 7.804148 12.28461       13.71677 
1 1 1 -6  16 9  f 259.0028 5.134738 3288.496       130.1754 3182.308       181.1677 3401.838       187.1707 254.4732 7.280803 263.1119 7.274581 -8.638733      10.29221 
1 1 1 -6  16 10 o 111.6653 3.083153 611.1027       33.66694 562.5977       48.03694 657.9296       47.19862 107.0438 4.595367 115.8038 4.170710 -8.760025      6.205821 
1 1 1 -6  16 11 o 305.5995 5.933784 4581.856       177.4968 4553.573       251.3515 4609.991       250.6866 304.1583 8.450778 306.0535 8.375989 -1.895172      11.89844 
1 1 1 -6  16 12 o 60.45813 3.196795 179.5222       18.85078 157.5587       29.19267 195.2303       24.68801 56.42911 5.349106 62.99390 4.024938 -6.564796      6.694256 
1 1 1 -6  16 13 o 119.5139 3.177268 700.0861       37.13581 703.6395       53.95972 696.8885       51.18592 119.7198 4.613291 119.1602 4.396004 0.5595856      6.372386 
1 1 1 -6  16 14 o 163.8237 3.656976 1314.896       58.64149 1249.361       81.33421 1385.844       84.62695 159.5167 5.216090 168.0191 5.151778 -8.502396      7.331331 
1 1 1 -6  16 15 o 95.79681 3.042063 449.9394       28.48883 459.1224       41.29375 441.5985       39.35473 96.67936 4.374930 94.82240 4.250944 1.856956       6.100044 
1 1 1 -6  16 16 o 196.9659 4.144226 1901.641       79.89890 1875.810       112.4532 1927.974       113.5429 195.3826 5.886744 198.0863 5.862425 -2.703705      8.307936 
1 1 1 -6  16 17 o 112.2501 3.496019 617.9726       38.36516 611.8000       63.02188 621.6070       48.35812 111.4809 5.795331 112.5108 4.399536 -1.029877      7.276110 
1 1 1 -6  16 18 o 154.2166 4.060371 1166.666       61.23856 1198.355       76.96799 1112.000       101.0914 156.2012 5.040672 150.2259 6.893225 5.975357       8.539609 
1 1 1 -6  16 19 o 263.6987 6.028551 3416.065       155.6063 3559.281       196.4648 3175.000       254.8915 268.7967 7.474400 253.1084 10.30985 15.68828       12.73419 
1 1 1 -6  16 20 o 147.5967 3.479733 1067.577       50.27230 1044.593       70.24490 1091.710       71.97832 145.8205 4.928498 149.0753 4.939581 -3.254776      6.977790 
1 1 1 -6  16 21 o 228.4450 5.341424 2562.361       119.4387 2426.000       197.0580 2641.546       150.1652 221.4216 9.111645 231.6532 6.629363 -10.23161      11.26812 
1 1 1 -6  16 22 o 232.8905 5.423276 2663.905       123.6288 2338.000       195.2225 2882.112       159.7417 217.2711 9.200379 241.9133 6.752700 -24.64215      11.41253 
1 1 1 -6  16 23 o 246.8772 4.958984 2992.448       119.8340 2776.983       161.9527 3253.148       178.1435 237.3516 6.978494 256.8826 7.091609 -19.53096      9.949387 
1 1 1 -6  16 24 o 177.1962 4.574166 1542.193       79.27010 1443.000       136.5936 1592.565       97.33827 170.7193 8.198088 179.9209 5.533659 -9.201599      9.890906 
1 1 1 -6  16 25 o 188.5061 4.054410 1743.479       74.80994 1638.459       102.0107 1865.679       110.0393 182.4261 5.719917 194.6641 5.781457 -12.23799      8.132816 
1 1 1 -6  16 26 o 171.0414 3.798815 1435.284       63.59978 1330.278       86.25387 1560.399       94.15152 164.3802 5.367913 178.0372 5.408967 -13.65695      7.620461 
1 1 1 -6  16 27 o 325.7587 6.326784 5232.905       201.7369 5175.802       283.2384 5291.701       287.4053 322.6319 8.977616 326.2085 9.009682 -3.576599      12.71896 
1 1 1 -6  16 28 o 81.88297 3.123321 329.3080       24.98730 323.6919       33.84778 336.0342       37.04271 81.05409 4.281462 82.54697 4.602762 -1.492874      6.286202 
1 1 1 -6  16 29 o 110.3044 3.143432 597.4192       33.90471 588.6711       46.55705 607.2974       49.47266 109.3285 4.359305 111.0145 4.562531 -1.685966      6.310328 
1 1 1 -6  16 30 o 128.9513 3.302562 816.8922       41.65099 769.8290       57.01200 870.7635       60.99645 124.9423 4.669988 132.8857 4.696816 -7.943436      6.623358 
1 1 1 -6  16 31 o 135.4684 3.362035 901.5363       44.58066 877.2320       61.79479 927.9147       64.37765 133.3003 4.743593 137.0863 4.805151 -3.785950      6.752122 
1 1 1 -6  16 32 o 76.97652 3.093704 291.5233       23.26257 312.8860       31.66275 266.4674       34.29063 79.60146 4.077282 73.31130 4.805060 6.290154       6.301812 
1 1 1 -6  16 33 o 119.2656 3.233611 699.8410       37.71447 748.8306       53.89161 652.8198       52.79786 123.0775 4.480863 114.8458 4.706694 8.231682       6.498546 
1 1 1 -6  16 34 o 55.46341 4.525791 153.0556       24.35671 153.0556       24.35671 0.000000       0.000000 55.46341 4.525791 ?        ?        ?              ?        
1 1 1 -6  16 35 f 105.6612 3.530843 550.8492       36.46615 565.4315       45.12456 523.4000       61.91037 106.8378 4.323944 102.1244 6.222920 4.713417       7.577679 
1 1 1 -6  16 36 o 103.7330 3.179655 530.4025       32.24706 564.8535       45.32840 495.1001       45.88514 106.7259 4.348152 99.79288 4.710793 6.932991       6.410772 
1 1 1 -6  16 37 o 23.54408 6.535797 28.75852       15.59445 42.58000       19.76278 5.952260       25.38621 28.46955 7.112827 19.42906 8.081920 9.040493       10.76614 
1 1 1 -6  16 38 o 85.57224 3.540630 362.2641       29.59242 394.7000       45.28299 338.0868       39.09548 88.77385 5.234505 82.26491 4.877072 6.508942       7.154430 
1 1 1 -6  16 39 f 18.03989 6.841311 12.24135       16.62082 13.72186       20.94924 9.726325       27.30456 19.72352 7.629782 20.67767 8.469282 -0.9541416     11.39922 
1 1 1 -6  16 40 o 54.61717 3.926712 148.6358       20.85241 161.5523       28.52757 133.8169       30.55636 56.58289 5.209215 51.11319 6.236466 5.469692       8.125850 
1 1 1 -6  16 41 o 13.48831 6.104431 -8.572042      17.28994 2.127669       22.87788 -22.82252      26.40246 17.70318 7.534537 15.27577 7.136448 2.427415       10.37777 
1 1 1 -6  16 42 o 126.1254 5.317348 803.2175       65.49803 875.5000       98.87689 746.7000       87.43182 129.3931 7.843720 119.8031 7.493338 9.589958       10.84777 
1 1 1 -6  16 43 o 21.45896 8.012334 19.95030       22.60390 11.72000       52.52880 21.82065       25.04091 26.28712 11.30719 22.42698 8.420959 3.860144       14.09840 
1 1 1 -6  16 44 o 29.72841 11.16804 44.71000       44.05505 0.000000       0.000000 44.71000       44.05505 ?        ?        29.72841 11.16804 ?              ?        
1 1 1 -6  16 45 o 26.68467 7.558921 38.80465       20.63752 37.85084       23.71583 41.78000       41.88673 26.42006 8.260607 28.82504 10.87649 -2.404982      13.65781 
1 1 1 -6  16 46 o 47.42093 5.262083 115.8080       24.01429 96.56109       28.01715 169.1000       46.62032 42.46397 6.983102 55.12125 8.947232 -12.65727      11.34974 
1 1 1 -6  16 47 o 82.17435 4.112079 339.9723       32.97022 396.1335       40.59918 231.2000       56.50123 88.33723 4.712394 64.18006 9.261599 24.15717       10.39153 
1 1 1 -6  16 48 o 42.27475 7.681504 98.16135       30.61539 98.16135       30.61539 0.000000       0.000000 42.27475 7.681504 ?        ?        ?              ?        
1 1 1 -6  16 49 o 28.27275 9.016167 45.28403       28.12475 51.39000       37.74258 37.66000       42.17418 29.92410 10.46151 27.57211 10.78045 2.351999       15.02203 
1 1 1 -6  16 50 o 47.93052 5.790364 120.8505       26.61599 126.8811       32.78868 109.2000       45.57419 48.28777 7.153172 41.96060 10.97353 6.327168       13.09910 
1 1 1 -6  16 51 o 42.25221 4.799953 92.32978       19.50005 93.77431       21.65293 86.13000       44.85818 42.32047 5.346168 36.75746 11.33970 5.563011       12.53676 
1 1 1 -6  16 52 f 57.97455 3.962360 170.4300       22.35007 157.5011       25.03464 221.2000       49.60939 55.35286 4.663912 62.69787 8.286265 -7.345005      9.508642 
1 1 1 -6  16 53 o 35.89162 5.580525 68.39164       18.96856 76.18446       21.15305 36.40000       42.85916 37.74257 5.920381 26.89275 10.75533 10.84982       12.27713 
1 1 1 -6  16 54 o 21.63467 7.205354 25.03508       17.86362 24.93652       19.66622 25.50000       42.71220 21.77758 7.555437 25.11424 10.46787 -3.336660      12.90972 
1 1 1 -6  16 55 o 21.65493 7.289305 25.01879       18.27651 30.61290       20.13946 -1.091000      43.50950 23.54720 7.640952 21.76737 9.782314 1.779831       12.41281 
1 1 1 -6  16 56 o 47.14797 4.641029 114.9436       21.14087 117.9975       23.69003 103.0000       46.84913 47.46988 5.182576 39.52856 11.45056 7.941315       12.56878 
1 1 1 -6  16 57 o 21.55764 7.774853 24.03913       20.99218 24.03913       20.99218 0.000000       0.000000 21.55764 7.774853 ?        ?        ?              ?        
1 1 1 -6  16 58 o 22.03493 7.609845 26.38507       19.94084 18.23362       22.51120 56.09000       42.97299 20.19991 7.882461 29.75110 11.05941 -9.551191      13.58101 
1 1 1 -6  16 59 f 28.51034 6.865335 46.20401       18.92861 35.69419       20.94866 92.95000       44.18053 24.81528 7.764464 36.87956 11.23065 -12.06427      13.65337 
1 1 1 -6  17 1  o 168.2342 4.391651 1387.694       72.25648 1263.000       120.7066 1457.330       90.20348 160.1780 7.721526 172.3318 5.354006 -12.15382      9.396135 
1 1 1 -6  17 2  o 385.4502 10.42464 7323.548       392.9494 6956.000       536.4731 7749.000       577.1866 374.3357 14.66973 395.0194 14.95466 -20.68369      20.94858 
1 1 1 -6  17 3  o 649.3844 12.16274 20822.70       773.1069 18600.00       1423.743 21752.14       920.6655 605.5651 24.06747 662.6597 14.19401 -57.09460      27.94124 
1 1 1 -6  17 4  o 282.2049 6.404826 3907.509       176.9205 3745.000       298.4479 3995.560       219.6819 275.3634 11.09549 285.0749 7.880360 -9.711456      13.60918 
1 1 1 -6  17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  17 6  o 235.0182 5.476665 2708.483       125.9864 2744.000       221.4898 2691.495       153.1812 235.8842 9.613012 234.0727 6.692596 1.811447       11.71328 
1 1 1 -6  17 7  o 108.5649 3.594557 577.9727       38.14536 536.8000       70.16898 595.2444       45.44736 104.3352 6.909739 110.1364 4.223546 -5.801170      8.098323 
1 1 1 -6  17 8  f 126.3244 3.228040 782.0781       39.88195 758.9000       83.96999 788.8298       45.31987 124.1234 6.938995 126.8443 3.653963 -2.720940      7.842264 
1 1 1 -6  17 9  o 283.0593 6.399770 3932.968       177.3160 3771.000       300.5765 4019.418       219.5968 276.1206 11.14405 285.8322 7.856346 -9.711670      13.63496 
1 1 1 -6  17 10 o 141.3720 3.394958 978.9897       46.97904 989.1206       68.45785 969.9720       64.58773 141.9483 4.934554 140.5857 4.700171 1.362564       6.814795 
1 1 1 -6  17 11 o 236.5268 4.766270 2742.861       110.3482 2652.624       153.8368 2838.500       158.3740 232.2973 6.772886 240.3100 6.739613 -8.012756      9.554808 
1 1 1 -6  17 12 o 108.0664 3.080560 572.4556       32.55239 559.4761       47.63129 583.8310       44.59103 106.7312 4.569842 109.0638 4.184727 -2.332626      6.196402 
1 1 1 -6  17 13 o 92.40676 3.030096 418.6866       27.37025 386.4553       39.71094 447.8538       37.77625 88.66325 4.591370 95.50768 4.050059 -6.844421      6.122389 
1 1 1 -6  17 14 o 38.56005 4.197907 73.74409       15.58894 81.05038       25.59729 69.43668       19.65411 40.06936 6.767178 37.20842 5.567273 2.860939       8.762946 
1 1 1 -6  17 15 o 219.6884 4.508073 2366.564       96.94028 2332.282       136.6551 2401.291       137.5377 217.7852 6.417490 220.9949 6.364817 -3.209656      9.038532 
1 1 1 -6  17 16 o 166.3174 3.715138 1355.637       60.48099 1445.401       89.03651 1278.731       82.41305 171.5325 5.309318 161.3397 5.225427 10.19284       7.449426 
1 1 1 -6  17 17 o 269.6645 7.498684 3582.254       197.7394 3674.000       284.9203 3497.000       274.6536 272.1826 10.71535 265.5771 10.58667 6.605530       15.06308 
1 1 1 -6  17 18 o 174.4710 5.293560 1495.615       90.29726 1444.000       125.5079 1551.000       130.0103 171.0909 7.512734 177.3291 7.507151 -6.238174      10.62066 
1 1 1 -6  17 19 o 290.2627 5.683094 4138.271       161.4664 4289.024       234.0330 4001.324       223.0582 294.8441 8.116931 284.8063 8.009285 10.03772       11.40321 
1 1 1 -6  17 20 o 102.1912 3.456895 512.3931       34.52871 559.9000       57.96139 486.2594       42.98933 106.6219 5.573097 99.46574 4.426600 7.156136       7.117176 
1 1 1 -6  17 21 o 133.5836 3.750970 875.5512       48.99736 775.6000       77.11826 943.2117       63.44989 125.4218 6.301899 138.5571 4.685122 -13.13530      7.852662 
1 1 1 -6  17 22 o 331.4875 7.428460 5417.777       241.0306 5368.000       417.7521 5442.616       295.1040 327.2037 13.06980 331.5144 9.102858 -4.310730      15.92739 
1 1 1 -6  17 23 o 332.8048 6.437416 5452.608       209.7043 5198.961       287.4882 5741.032       306.5634 323.9146 9.076358 340.3324 9.211074 -16.41779      12.93152 
1 1 1 -6  17 24 o 219.2152 5.283776 2362.190       113.3760 2240.000       194.3216 2425.251       139.5994 212.2805 9.375127 221.7967 6.436979 -9.516144      11.37223 
1 1 1 -6  17 25 o 152.5433 4.258144 1143.279       63.51767 1007.000       109.8379 1211.751       77.85608 142.4641 7.907658 156.9216 5.075457 -14.45755      9.396346 
1 1 1 -6  17 26 o 210.8400 5.151936 2186.707       106.3236 2044.000       181.4914 2261.277       131.1937 202.5331 9.178761 214.0547 6.268305 -11.52168      11.11491 
1 1 1 -6  17 27 o 71.47582 4.223212 251.8681       29.41496 184.8000       62.37843 271.0463       33.35650 59.77126 11.06949 74.10464 4.621641 -14.33339      11.99555 
1 1 1 -6  17 28 o 54.27681 3.389382 145.1532       17.91711 146.4849       23.31744 143.2334       27.99679 54.39976 4.416997 53.63671 5.406301 0.7630463      6.981258 
1 1 1 -6  17 29 o 107.5042 3.107877 567.6597       32.66928 547.7409       45.03482 589.7849       47.46346 105.4131 4.374135 109.3785 4.442482 -3.965424      6.234477 
1 1 1 -6  17 30 o 41.10914 3.821732 83.81497       15.20205 92.13456       19.33536 70.34647       24.60147 42.98618 4.670310 37.02129 7.046293 5.964886       8.453522 
1 1 1 -6  17 31 o 162.8102 3.704756 1304.071       59.04015 1367.938       85.55196 1245.997       81.58033 166.2294 5.264583 158.6412 5.260953 7.588196       7.442679 
1 1 1 -6  17 32 o 129.5246 3.325676 825.5430       42.12878 837.5468       59.88549 813.7818       59.27734 130.1106 4.709988 128.2431 4.730352 1.867569       6.675344 
1 1 1 -6  17 33 o 112.9713 3.172584 628.1647       35.04751 638.1962       49.05194 617.7025       50.09382 113.5699 4.420966 111.6807 4.592268 1.889168       6.374470 
1 1 1 -6  17 34 o 94.51722 3.454767 440.7118       31.90837 481.8249       40.51995 373.6000       51.76997 98.64774 4.206040 86.24974 6.172982 12.39799       7.469704 
1 1 1 -6  17 35 o 40.70399 4.414036 82.97063       17.30532 65.16968       18.52942 204.5000       48.41512 35.78162 5.463417 62.96960 8.037957 -27.18798      9.718934 
1 1 1 -6  17 36 o 18.17143 6.141033 15.54327       12.97183 10.23000       15.21544 29.68048       24.81905 17.02949 6.524482 24.84570 8.493004 -7.816210      10.70981 
1 1 1 -6  17 37 o 45.54397 4.031680 103.4784       17.78765 117.1000       23.45259 85.03044       27.29299 48.22668 5.042622 40.40233 7.163689 7.824352       8.760507 
1 1 1 -6  17 38 o 72.62164 3.809498 261.6749       26.98476 233.4818       30.01823 380.4000       61.60056 68.39725 4.508888 86.10671 7.379817 -17.70946      8.648223 
1 1 1 -6  17 39 o 51.36138 3.672930 131.2124       18.34338 152.5348       24.37864 103.3866       27.84933 55.17045 4.554913 44.74153 6.553388 10.42892       7.980860 
1 1 1 -6  17 40 o 86.45500 3.856213 371.4337       32.55090 374.2328       37.85993 363.5000       63.74054 86.55135 4.484181 83.55552 7.886847 2.995827       9.072499 
1 1 1 -6  17 41 o 26.81035 7.089516 38.30782       18.88628 37.02973       20.53998 45.30000       48.04255 26.37833 7.563759 30.83644 11.64547 -4.458105      13.88624 
1 1 1 -6  17 42 o 42.81285 4.146304 92.29417       17.15842 87.10978       18.39540 127.0000       47.59504 41.44392 4.612706 47.24029 10.55888 -5.796368      11.52246 
1 1 1 -6  17 43 f 22.34362 6.523445 26.39517       15.15211 27.29701       16.17750 19.95000       43.24782 22.72338 6.768712 25.52116 10.57650 -2.797779      12.55699 
1 1 1 -6  17 44 o 28.34756 6.057489 42.72197       16.29783 46.65823       17.66707 20.24000       42.22204 29.57475 6.296198 25.27149 10.45960 4.303255       12.20841 
1 1 1 -6  17 45 o 50.45084 4.082582 128.3922       19.98879 128.3229       22.12518 128.7000       46.62516 50.25967 4.546516 46.99004 10.41115 3.269634       11.36059 
1 1 1 -6  17 46 o 54.22220 3.645373 147.4573       19.23509 141.3342       20.79245 183.8000       50.65556 52.93233 4.043695 57.06246 9.395977 -4.130127      10.22917 
1 1 1 -6  17 47 o 24.57115 7.796999 32.67238       21.05450 32.67238       21.05450 0.000000       0.000000 24.57115 7.796999 ?        ?        ?              ?        
1 1 1 -6  17 48 o 40.10670 6.089564 85.27178       23.15574 65.69000       26.96921 140.2000       45.16894 34.10957 8.182755 49.08796 9.744535 -14.97839      12.72452 
1 1 1 -6  17 49 o 12.96175 5.963694 -10.70452      17.40404 -6.816689      19.30931 -27.54000      40.18149 14.39852 6.489761 18.58366 8.721025 -4.185143      10.87075 
1 1 1 -6  17 50 o 18.86941 7.135350 15.63803       18.04959 12.98436       20.15427 26.39000       40.56836 18.68404 7.407119 25.16242 10.31673 -6.478374      12.70041 
1 1 1 -6  17 51 o 22.48781 7.362582 27.34316       18.67760 20.21672       20.87846 55.90000       41.79433 20.65515 7.702791 30.43906 10.97138 -9.783913      13.40538 
1 1 1 -6  17 52 o 23.51345 7.325660 30.44587       18.66886 41.99314       20.88347 -15.50000      41.65681 27.26495 7.561338 19.93209 9.190833 7.332857       11.90148 
1 1 1 -6  17 53 o 35.71489 9.121537 75.85682       31.99703 87.67000       46.97265 65.63000       43.70510 36.55131 11.65153 32.25599 11.25887 4.295322       16.20248 
1 1 1 -6  17 54 o 48.58709 5.854225 125.3841       27.28135 111.1603       33.05036 155.8000       48.33021 44.34830 7.903504 50.67482 10.09831 -6.326515      12.82346 
1 1 1 -6  17 55 o 48.08963 5.863025 123.1280       27.02828 136.0305       32.79382 95.80000       47.72654 49.83321 6.908650 37.90540 11.69711 11.92781       13.58499 
1 1 1 -6  17 56 o 30.86508 9.415522 57.76245       31.03547 57.76245       31.03547 0.000000       0.000000 30.86508 9.415522 ?        ?        ?              ?        
1 1 1 -6  17 57 o 24.75300 9.266437 33.37527       30.27378 32.14000       42.56360 34.64000       43.06802 25.72517 10.55963 26.16624 10.66735 -0.4410725     15.00993 
1 1 1 -6  17 58 o 38.53368 7.356775 84.53778       26.73636 109.0631       33.42635 40.98000       44.54663 43.18751 8.207185 26.99801 10.90647 16.18950       13.64951 
1 1 1 -6  18 1  o 441.8729 8.351465 9602.954       361.2154 9061.000       693.9077 9804.396       423.0533 425.8081 16.68102 446.1056 9.688378 -20.29752      19.29044 
1 1 1 -6  18 2  o 387.9791 8.556019 7405.322       324.9274 7375.000       560.0185 7420.710       398.9442 384.8961 14.89268 387.7300 10.52151 -2.833832      18.23442 
1 1 1 -6  18 3  o 282.9233 6.444984 3929.208       178.4829 3963.000       309.9858 3912.450       218.2994 283.0719 11.20981 281.9969 7.916476 1.074951       13.72336 
1 1 1 -6  18 4  o 542.2968 11.81581 14539.09       627.2009 14250.00       1066.421 14691.97       775.5076 531.1409 20.55099 543.5234 14.58997 -12.38251      25.20338 
1 1 1 -6  18 5  o 247.9396 4.960825 3014.100       120.3943 2895.000       236.1632 3055.922       139.9451 242.1203 9.986377 249.5782 5.728550 -7.457962      11.51278 
1 1 1 -6  18 6  o 157.1076 5.048866 1211.568       77.54131 1391.000       121.7160 1089.000       100.5974 168.0788 7.416506 148.7403 6.928623 19.33849       10.14940 
1 1 1 -6  18 7  o 77.07627 4.879350 292.4405       36.62300 287.1000       53.96478 297.0000       49.86349 76.08551 7.336953 77.48852 6.638027 -1.403008      9.894154 
1 1 1 -6  18 8  o 179.9329 4.509840 1588.055       79.36620 1474.000       134.4280 1649.085       98.33363 172.9315 7.963004 183.2629 5.487960 -10.33142      9.670942 
1 1 1 -6  18 9  o 149.5655 3.496526 1095.897       51.18875 993.2000       101.7827 1130.667       59.22349 141.9574 7.350064 151.8449 3.988079 -9.887436      8.362309 
1 1 1 -6  18 10 o 235.0942 4.744613 2710.099       109.1814 2430.000       206.4673 2818.831       128.6392 221.7756 9.533376 239.6876 5.483042 -17.91194      10.99768 
1 1 1 -6  18 11 o 68.74767 3.059664 231.9577       20.53754 218.4000       48.83830 234.8702       22.63632 66.19279 7.680175 69.15945 3.353859 -2.966660      8.380541 
1 1 1 -6  18 12 o 70.86198 3.069073 246.4285       21.23713 168.9000       50.19842 263.3298       23.43795 57.82915 9.174171 73.24268 3.277561 -15.41352      9.742064 
1 1 1 -6  18 13 o 97.98610 3.491279 471.0404       33.43187 457.1000       64.49928 476.1616       39.09332 96.18105 6.896863 98.47589 4.064442 -2.294838      8.005399 
1 1 1 -6  18 14 o 63.84665 3.684682 200.4363       22.92955 246.2000       52.03276 189.4075       25.54350 70.30863 7.685750 62.01115 4.233673 8.297478       8.774665 
1 1 1 -6  18 15 o 171.9584 4.374866 1450.970       73.57689 1413.124       90.65882 1524.000       125.9358 169.5742 5.469057 175.8260 7.333554 -6.251755      9.148311 
1 1 1 -6  18 16 o 18.37905 6.991083 11.56991       17.38865 39.97000       29.83841 -3.035000      21.39762 28.84558 9.295655 16.55722 7.169662 12.28837       11.73939 
1 1 1 -6  18 17 o 169.5606 3.774574 1409.327       62.64683 1432.397       90.19263 1387.822       87.08126 170.7167 5.404259 168.0504 5.300570 2.666382       7.569812 
1 1 1 -6  18 18 o 41.28315 4.416390 84.54647       17.56928 116.0738       26.85788 60.96366       23.22877 48.26385 5.801333 34.56908 7.102588 13.69478       9.170726 
1 1 1 -6  18 19 o 39.50259 5.590183 78.16565       21.01189 49.80000       30.25319 104.6000       29.20513 31.46425 9.226522 45.62215 6.742873 -14.15790      11.42782 
1 1 1 -6  18 20 o 18.51973 7.152538 10.89194       18.38858 8.471000       25.67900 13.44000       26.34453 20.39322 8.265358 21.65617 8.504643 -1.262945      11.85939 
1 1 1 -6  18 21 o 276.3542 7.848581 3772.702       212.0916 3587.000       291.3661 3982.000       309.3244 268.2087 11.12252 282.5746 11.20565 -14.36584      15.78851 
1 1 1 -6  18 22 o 103.6168 3.121157 526.6819       31.61961 497.5885       44.32011 556.8409       45.12449 100.5813 4.513207 106.4317 4.340577 -5.850395      6.261761 
1 1 1 -6  18 23 o 107.0324 3.109632 562.0233       32.54392 504.0554       44.41826 629.2033       47.81763 101.2198 4.494423 113.1314 4.326131 -11.91156      6.238209 
1 1 1 -6  18 24 o 205.8833 5.057600 2083.955       101.9229 1872.000       170.2973 2202.251       127.2251 193.9871 8.993155 211.3281 6.157047 -17.34100      10.89890 
1 1 1 -6  18 25 o 184.9938 4.736399 1683.420       85.69479 1481.000       144.3599 1793.562       106.4868 172.5026 8.576470 190.7369 5.710101 -18.23430      10.30345 
1 1 1 -6  18 26 o 136.6992 4.058585 918.7277       54.24575 968.2000       102.7366 899.6036       63.87568 139.5669 7.548419 135.1384 4.836726 4.428467       8.965074 
1 1 1 -6  18 27 o 138.2921 3.396590 938.7469       45.97763 890.8158       63.54865 991.3964       66.60322 134.4271 4.837512 141.8291 4.804533 -7.401993      6.817995 
1 1 1 -6  18 28 o 141.0237 4.087725 978.8780       56.36654 995.8000       105.3928 972.0985       66.70883 141.2459 7.651621 140.3692 4.862523 0.8766785      9.065949 
1 1 1 -6  18 29 o 135.0534 3.326517 895.9697       43.97457 903.4761       62.57655 888.6462       61.80942 135.2817 4.732993 134.1702 4.713761 1.111496       6.679878 
1 1 1 -6  18 30 o 33.27320 4.098126 55.33809       13.06540 81.71288       16.82092 15.22459       20.74439 40.49364 4.309964 20.27820 7.653626 20.21544       8.783722 
1 1 1 -6  18 31 o 90.20071 3.318064 400.6330       29.24557 421.2055       37.52407 368.8000       46.67722 92.33161 4.162666 86.05622 5.571304 6.275391       6.954654 
1 1 1 -6  18 32 o 55.11047 3.168317 149.8529       17.01902 160.6915       22.96594 136.6505       25.34689 56.91554 4.150909 52.29172 5.013390 4.623821       6.508772 
1 1 1 -6  18 33 o 55.80792 3.373673 153.9407       18.34307 177.2122       23.45567 117.3000       29.43184 59.77252 4.032640 48.01448 6.423368 11.75804       7.584315 
1 1 1 -6  18 34 o 74.97735 3.005745 277.0695       22.01442 262.4034       29.94129 294.3276       32.47958 72.71248 4.225033 76.99688 4.326950 -4.284401      6.047594 
1 1 1 -6  18 35 o 41.79781 3.848939 87.04524       15.57039 98.48000       20.61829 71.86974       23.75257 44.26672 4.837125 37.23432 6.766358 7.032398       8.317534 
1 1 1 -6  18 36 o 108.1019 3.778862 578.4521       39.92382 526.3204       45.62248 748.9000       82.49427 102.8498 4.542995 121.4305 6.969765 -18.58071      8.319641 
1 1 1 -6  18 37 o 43.63709 3.607965 94.74150       15.27317 99.13225       16.06582 53.51000       49.23209 44.62251 3.711842 32.99210 11.90556 11.63042       12.47077 
1 1 1 -6  18 38 f 81.59776 3.042115 328.8096       24.25488 314.3258       26.15639 417.7000       64.79827 79.69884 3.360433 90.08780 7.413929 -10.38896      8.139954 
1 1 1 -6  18 39 o 55.04884 3.336319 150.3115       17.89280 148.4776       19.02960 164.3000       52.55566 54.65656 3.576628 54.80503 10.17138 -0.1484718     10.78190 
1 1 1 -6  18 40 o 79.30127 3.090053 311.2053       23.93979 306.5897       25.96338 337.4000       61.85231 78.62466 3.381526 80.16431 7.988829 -1.539658      8.675028 
1 1 1 -6  18 41 o 26.41453 5.336508 36.41497       13.32223 33.39758       13.87956 71.74000       47.48984 25.18044 5.756988 35.53759 11.74531 -10.35715      13.08033 
1 1 1 -6  18 42 f 54.98785 3.346866 150.6296       17.92874 148.8102       19.18240 163.2000       50.42090 54.57510 3.611198 53.87824 9.926371 0.6968613      10.56284 
1 1 1 -6  18 43 o 43.11631 3.672353 93.28899       15.35123 84.89491       16.27764 160.8000       46.16282 40.98649 4.112891 53.86613 9.077675 -12.87964      9.965944 
1 1 1 -6  18 44 o 44.42274 3.637585 99.07610       15.67863 100.5400       16.74515 88.67000       44.64570 44.67949 3.866936 38.44955 11.18977 6.229942       11.83910 
1 1 1 -6  18 45 o 37.30234 4.175952 70.72588       14.98609 79.74083       15.83064 -7.065000      46.50304 39.64543 4.140391 22.41702 10.09045 17.22841       10.90688 
1 1 1 -6  18 46 o 50.27888 3.947538 127.5313       19.27187 127.5313       19.27187 0.000000       0.000000 50.27888 3.947538 ?        ?        ?              ?        
1 1 1 -6  18 47 o 65.46461 3.495058 214.6660       22.31466 236.9212       24.84761 121.9000       50.72983 68.68482 3.709645 44.29391 11.57460 24.39091       12.15454 
1 1 1 -6  18 48 o 37.04997 4.339462 70.26962       15.43946 73.58901       16.45057 45.73000       44.72861 37.85304 4.529737 29.16158 11.18305 8.691458       12.06562 
1 1 1 -6  18 49 o 39.33236 4.178322 79.03963       15.84053 92.64164       17.00545 -10.16000      43.54800 42.63436 4.126475 21.01740 9.580784 21.61696       10.43164 
1 1 1 -6  18 50 o 40.71713 4.052647 84.57263       15.93762 84.29884       17.10225 86.38000       43.94036 40.51385 4.382318 36.79011 11.19942 3.723740       12.02629 
1 1 1 -6  18 51 f 43.51472 3.891869 96.22664       16.40197 102.6653       17.70368 57.21000       43.58022 44.87928 4.074419 30.72388 11.18516 14.15540       11.90415 
1 1 1 -6  18 52 o 20.16553 6.351283 21.72708       13.99421 18.76878       14.77880 47.39000       43.52823 19.16221 6.553636 28.76553 11.03176 -9.603317      12.83160 
1 1 1 -6  18 53 o 38.45660 4.285531 76.05085       15.85798 71.48866       16.92971 108.7000       45.28963 37.05872 4.778253 41.23263 11.01321 -4.173912      12.00511 
1 1 1 -6  18 54 o 53.29532 3.586294 143.4937       18.59968 145.6846       20.11797 130.6000       48.80420 53.56983 3.862635 45.22063 11.10770 8.349205       11.76014 
1 1 1 -6  18 55 o 16.61613 6.461185 10.85603       15.08286 10.85603       15.08286 0.000000       0.000000 16.61613 6.461185 ?        ?        ?              ?        
1 1 1 -6  18 56 o 58.86512 3.755882 175.8492       21.52806 167.8081       23.73253 213.2000       51.14895 57.20290 4.269366 60.28619 8.938190 -3.083282      9.905490 
1 1 1 -6  18 57 o 24.35459 6.218241 32.97358       14.87306 32.38781       15.87954 37.16000       42.45160 24.03237 6.565629 26.35424 10.64673 -2.321867      12.50841 
1 1 1 -6  18 58 o 23.59292 6.397854 31.26599       15.14419 34.02303       16.22355 12.59000       42.22463 24.52654 6.609524 22.57621 9.917583 1.950336       11.91823 
1 1 1 -6  19 1  o 191.6597 5.856484 1804.391       109.7398 0.000000       0.000000 1804.391       109.7398 ?        ?        191.6597 5.856484 ?              ?        
1 1 1 -6  19 2  o 213.1852 5.119794 2228.973       106.8355 2219.000       185.4287 2233.928       130.7111 212.0641 8.953270 213.2188 6.269786 -1.154694      10.93029 
1 1 1 -6  19 3  o 123.1295 3.897070 743.6482       46.90935 694.8000       80.65008 768.6229       57.66745 118.7139 6.971282 125.1184 4.717174 -6.404457      8.417274 
1 1 1 -6  19 4  o 172.0554 5.468558 1453.816       91.98043 1321.000       124.9368 1611.000       135.9156 163.6977 7.819863 180.8310 7.696343 -17.13327      10.97196 
1 1 1 -6  19 5  o 283.7498 7.929494 3964.151       220.0196 3657.000       295.3738 4347.000       329.7691 271.7339 11.12864 296.2174 11.39473 -24.48355      15.92754 
1 1 1 -6  19 6  o 131.7044 3.330967 850.2859       42.90701 778.6000       85.94164 874.0867       49.52025 125.6734 7.014239 133.5052 3.793316 -7.831749      7.974259 
1 1 1 -6  19 7  o 229.4912 5.393865 2584.139       121.1636 2310.000       197.6579 2749.160       153.3551 216.2262 9.361160 236.4594 6.632307 -20.23323      11.47252 
1 1 1 -6  19 8  o 199.9783 4.842838 1961.391       94.79580 1900.000       163.9512 1992.221       116.1858 196.2000 8.557664 201.3548 5.901380 -5.154755      10.39519 
1 1 1 -6  19 9  o 73.61041 3.509299 266.0936       25.21235 411.3000       58.02458 232.2979       27.99300 91.26039 6.539001 68.71208 4.181878 22.54831       7.761870 
1 1 1 -6  19 10 o 279.6254 5.496881 3837.774       150.4524 3526.000       286.9153 3956.018       176.6942 266.6541 11.01629 283.7621 6.361532 -17.10794      12.72115 
1 1 1 -6  19 11 o 96.64847 3.064106 458.0414       28.95049 401.2000       63.23591 473.1144       32.56353 90.02139 7.237429 98.20637 3.392645 -8.184982      7.993148 
1 1 1 -6  19 12 o 240.8139 4.851924 2844.963       114.3673 2642.000       220.3671 2919.782       133.7968 231.0252 9.767024 243.8625 5.605242 -12.83739      11.26115 
1 1 1 -6  19 13 o 102.1155 3.111688 511.3314       31.06611 421.3000       66.28073 536.6782       35.16833 92.22421 7.404542 104.5962 3.439703 -12.37195      8.164484 
1 1 1 -6  19 14 o 220.9533 5.210043 2396.360       112.6803 2468.000       202.5205 2364.238       135.6089 223.3336 9.284466 219.2252 6.326243 4.108429       11.23489 
1 1 1 -6  19 15 o 87.70004 3.471646 377.5179       29.74285 360.2000       60.91810 382.9383       34.08111 85.21800 7.375667 88.29066 3.953629 -3.072655      8.368491 
1 1 1 -6  19 16 o 260.4265 5.178557 3329.571       132.0080 3324.000       266.8602 3331.376       151.8938 258.7446 10.55892 260.3667 5.960031 -1.622070      12.12488 
1 1 1 -6  19 17 o 190.3110 4.652376 1777.222       86.66523 0.000000       0.000000 1777.222       86.66523 ?        ?        190.3110 4.652376 ?              ?        
1 1 1 -6  19 18 o 237.7865 5.536404 2778.116       128.8609 0.000000       0.000000 2778.116       128.8609 ?        ?        237.7865 5.536404 ?              ?        
1 1 1 -6  19 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  19 20 o 129.2883 3.915256 820.6232       49.49083 910.8000       96.27171 788.2318       57.69873 135.7140 7.273730 126.6255 4.663170 9.088509       8.640157 
1 1 1 -6  19 21 o 299.2285 8.418905 4433.618       246.3389 4287.000       341.8452 4592.000       355.2956 292.5078 11.96474 302.7208 12.01447 -10.21298      16.95590 
1 1 1 -6  19 22 o 291.5551 6.641530 4191.325       189.5375 4388.000       342.0057 4104.145       227.7034 295.7189 11.83932 287.8820 8.088713 7.836884       14.33865 
1 1 1 -6  19 23 f 245.6313 7.175849 2983.518       172.3445 2982.000       245.2339 2985.000       242.2572 244.2550 10.28023 244.4434 10.14699 -0.1884766     14.44454 
1 1 1 -6  19 24 o 201.8185 6.249285 2011.340       123.3031 1944.000       172.9193 2081.000       175.8720 197.4768 8.969253 204.3943 8.811363 -6.917435      12.57329 
1 1 1 -6  19 25 o 110.7679 5.171502 605.5309       55.91605 580.6000       80.83990 628.4000       77.42507 107.9090 7.704215 112.4437 7.070408 -4.534698      10.45685 
1 1 1 -6  19 26 o 158.4315 5.491017 1239.658       85.02438 1333.000       125.7295 1161.000       115.4167 163.5237 7.878251 152.6301 7.750795 10.89355       11.05177 
1 1 1 -6  19 27 o 151.9651 5.400383 1141.519       80.20172 1035.000       109.8743 1263.000       117.3379 143.9027 7.829975 159.1153 7.555492 -15.21260      10.88090 
1 1 1 -6  19 28 o 123.9199 5.144121 759.6456       62.26057 768.5000       90.23557 751.6000       86.01543 123.9143 7.474360 122.6384 7.197092 1.275932       10.37614 
1 1 1 -6  19 29 o 48.69895 7.746480 121.4837       35.69032 165.8000       55.85838 90.91000       46.39600 56.19156 10.54288 41.39067 11.18731 14.80088       15.37232 
1 1 1 -6  19 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  19 31 o 134.4629 7.676324 913.1000       100.6130 913.1000       100.6130 0.000000       0.000000 134.4629 7.676324 ?        ?        ?              ?        
1 1 1 -6  19 32 o 48.97489 11.44158 130.4000       53.85388 130.4000       53.85388 0.000000       0.000000 48.97489 11.44158 ?        ?        ?              ?        
1 1 1 -6  19 33 o 61.68886 6.436185 192.8279       38.29245 123.4000       56.52905 251.7000       52.05466 47.26310 12.15211 70.08159 7.715911 -22.81849      14.39476 
1 1 1 -6  19 34 o 95.76776 7.322740 467.1000       68.12285 0.000000       0.000000 467.1000       68.12285 ?        ?        95.76776 7.322740 ?              ?        
1 1 1 -6  19 35 o 55.09551 7.195090 156.3440       37.87621 187.1000       58.46524 134.1000       49.72097 58.83572 10.53904 49.60539 10.56408 9.230335       14.92217 
1 1 1 -6  19 36 o 63.89451 6.675174 208.5967       41.13251 113.6000       59.61703 294.9000       56.82375 44.68360 12.90894 75.54427 7.796483 -30.86067      15.08065 
1 1 1 -6  19 37 o 40.01682 9.507188 87.21202       36.68508 117.3000       57.10556 66.07000       47.86908 45.31471 12.47924 35.13951 11.79665 10.17520       17.17243 
1 1 1 -6  19 38 o 121.7105 5.382268 744.9700       63.96232 722.0000       92.98605 765.6000       88.12254 117.8347 8.111408 121.9356 7.418398 -4.100914      10.99216 
1 1 1 -6  19 39 o 65.69722 6.632505 222.3681       42.06778 243.7000       64.18051 206.3000       55.70197 66.71375 10.14777 61.67685 9.533763 5.036896       13.92372 
1 1 1 -6  19 40 o 47.78037 8.234276 122.7588       37.12062 122.3000       56.83644 123.1000       49.01961 45.37933 12.43107 46.36000 10.97383 -0.9806671     16.58181 
1 1 1 -6  19 41 o 61.36189 6.773285 196.7495       40.00601 181.8000       58.84195 209.6000       54.55503 56.13803 11.10185 61.71064 9.322034 -5.572605      14.49660 
1 1 1 -6  19 42 o 24.44516 9.520128 25.09646       32.78463 11.80000       49.92132 35.18000       43.47350 25.54879 11.00663 27.91988 10.93678 -2.371092      15.51642 
1 1 1 -6  19 43 o 42.14774 8.533245 98.66634       33.99515 88.96000       51.23596 106.3000       45.43744 38.13552 12.17015 42.32518 10.90131 -4.189655      16.33864 
1 1 1 -6  19 44 o 26.94924 11.22205 25.59000       49.02071 25.59000       49.02071 0.000000       0.000000 26.94924 11.22205 ?        ?        ?              ?        
1 1 1 -6  19 45 o 21.69745 9.150662 10.66333       33.23320 52.89000       48.50756 -26.69000      45.62267 31.03154 11.70556 20.22351 9.425712 10.80803       15.02878 
1 1 1 -6  19 46 o 21.77691 9.724648 -2.904000      42.26376 0.000000       0.000000 -2.904000      42.26376 ?        ?        21.77691 9.724648 ?              ?        
1 1 1 -6  19 47 o 30.60855 11.46034 53.45000       46.30969 0.000000       0.000000 53.45000       46.30969 ?        ?        30.60855 11.46034 ?              ?        
1 1 1 -6  19 48 o 27.01307 9.738161 40.08318       32.92841 8.543000       48.95131 66.15000       44.50166 24.19241 10.65116 32.77624 11.36578 -8.583832      15.57653 
1 1 1 -6  19 49 o 43.32858 8.432896 107.2539       34.47766 92.14000       52.26252 118.9000       45.87675 37.19647 12.32244 43.72432 10.78689 -6.527851      16.37680 
1 1 1 -6  19 50 o 31.46282 9.691871 59.69583       32.78294 -0.7080000     50.26802 104.4000       43.24477 23.15811 10.45148 40.82565 10.69560 -17.66754      14.95424 
1 1 1 -6  19 51 o 29.27300 9.638703 50.99001       31.99243 59.92000       47.08209 43.33000       43.60586 31.13978 11.57600 28.08466 10.96741 3.055122       15.94641 
1 1 1 -6  19 52 o 26.35326 9.551224 38.92131       31.72950 31.83000       45.35256 45.72000       44.40696 26.32984 10.86350 28.46615 11.08161 -2.136309      15.51830 
1 1 1 -6  19 53 o 25.54373 9.584469 35.14780       32.42646 2.697000       46.84528 65.00000       44.93052 22.76674 10.19722 31.94289 11.39196 -9.176151      15.28922 
1 1 1 -6  19 54 o 22.97716 10.17617 7.724000       45.31806 7.724000       45.31806 0.000000       0.000000 22.97716 10.17617 ?        ?        ?              ?        
1 1 1 -6  19 55 o 56.86803 6.632125 175.7874       36.22491 133.5000       51.10211 218.5000       51.35836 45.01020 11.54429 61.29035 8.813918 -16.28015      14.52432 
1 1 1 -6  19 56 o 20.01689 8.660760 7.570432       31.17261 -31.95000      44.29767 46.34000       43.87484 18.71884 8.895285 28.05948 10.98843 -9.340639      14.13759 
1 1 1 -6  19 57 o 30.98003 9.524826 60.38645       31.68119 36.71000       45.21052 83.23000       44.40819 26.30124 10.84857 34.74592 11.35133 -8.444687      15.70173 
1 1 1 -6  20 1  o 149.6309 3.591369 1097.075       52.60022 1033.000       104.1449 1119.017       60.94480 144.7337 7.375581 151.0350 4.126291 -6.301331      8.451360 
1 1 1 -6  20 2  o 255.0570 5.888373 3194.082       147.0073 0.000000       0.000000 3194.082       147.0073 ?        ?        255.0570 5.888373 ?              ?        
1 1 1 -6  20 3  o 297.1896 5.815968 4336.260       169.1850 4266.000       335.3013 4360.257       195.9595 293.1399 11.70924 297.8533 6.721369 -4.713440      13.50123 
1 1 1 -6  20 4  o 157.5261 5.306708 1219.051       81.70778 1301.000       118.5936 1145.000       112.7335 162.4449 7.478522 152.3570 7.583182 10.08797       10.65049 
1 1 1 -6  20 5  f 273.0292 7.705271 3671.877       205.7163 3999.000       307.2242 3406.000       276.9752 283.9838 11.07360 262.1297 10.81814 21.85413       15.48085 
1 1 1 -6  20 6  o 142.3829 4.100963 994.6194       57.09487 910.0000       95.90176 1041.079       71.06051 135.8243 7.239599 145.5883 4.993892 -9.763962      8.794928 
1 1 1 -6  20 7  o 111.1070 4.709212 606.5797       51.09872 651.5000       75.49390 568.6000       69.41698 114.9233 6.740759 107.3498 6.638782 7.573463       9.461039 
1 1 1 -6  20 8  o 187.8019 4.035481 1728.988       74.18253 1715.000       150.0037 1733.517       85.35007 186.3763 8.242911 187.9981 4.638145 -1.621750      9.458222 
1 1 1 -6  20 9  o 147.2389 4.021892 1063.575       57.90981 1031.000       103.7472 1078.317       69.79454 144.5542 7.356472 148.1794 4.818428 -3.625137      8.794028 
1 1 1 -6  20 10 o 153.3785 4.116758 1154.233       61.74947 1118.000       109.7014 1171.038       74.70893 150.5160 7.469341 154.4062 4.949519 -3.890198      8.960402 
1 1 1 -6  20 11 o 77.84030 3.212502 297.3762       24.42417 222.2000       54.93532 315.8971       27.26734 66.57050 8.633882 80.21275 3.481196 -13.64224      9.309277 
1 1 1 -6  20 12 o 103.8007 3.173285 528.4043       32.20365 444.5000       67.36169 553.2620       36.66500 94.74216 7.320537 106.1909 3.532342 -11.44878      8.128204 
1 1 1 -6  20 13 o 100.7899 3.544722 498.5016       34.91634 448.9000       66.61255 517.2930       41.00022 95.22337 7.200063 102.6299 4.089561 -7.406509      8.280423 
1 1 1 -6  20 14 o 56.65434 3.818310 158.0668       21.05070 173.7000       50.56903 154.7900       23.15203 58.61845 9.109047 56.01879 4.254107 2.599659       10.05347 
1 1 1 -6  20 15 o 146.1641 3.498329 1047.151       50.05039 1035.000       104.4305 1050.775       57.02660 144.7527 7.394959 146.3302 3.985124 -1.577469      8.400395 
1 1 1 -6  20 16 o 109.8443 3.584076 592.1196       38.48392 0.000000       0.000000 592.1196       38.48392 ?        ?        109.8443 3.584076 ?              ?        
1 1 1 -6  20 17 o 221.7598 5.235619 2415.829       113.6468 0.000000       0.000000 2415.829       113.6468 ?        ?        221.7598 5.235619 ?              ?        
1 1 1 -6  20 18 o 131.0803 4.002877 843.6269       51.29873 888.7000       96.50972 825.8773       60.56282 134.0312 7.384833 129.6032 4.782219 4.427963       8.798033 
1 1 1 -6  20 19 o 94.92345 3.548370 442.4380       32.91118 582.3000       75.42705 409.5487       36.57667 108.4296 7.146633 91.26976 4.104723 17.15981       8.241548 
1 1 1 -6  20 20 o 223.3188 4.594383 2449.328       100.4289 2577.000       212.5558 2412.635       113.9503 227.5525 9.564332 221.5205 5.255272 6.031998       10.91303 
1 1 1 -6  20 21 o 95.89021 3.808152 451.8864       35.67223 433.9000       71.66663 457.8104       41.12930 93.31116 7.921313 96.45501 4.367658 -3.143845      9.045642 
1 1 1 -6  20 22 o 177.4456 5.801103 1552.811       100.6232 1422.000       137.8508 1702.000       147.2157 169.1040 8.354022 185.1109 8.144796 -16.00694      11.66736 
1 1 1 -6  20 23 o 188.8223 5.996894 1760.356       110.6967 1692.000       155.2759 1831.000       157.8536 184.2519 8.633664 191.7655 8.430248 -7.513580      12.06686 
1 1 1 -6  20 24 o 177.0306 5.766994 1547.986       99.79854 1623.000       146.4797 1483.000       136.3383 180.3907 8.318170 172.5041 8.097030 7.886566       11.60835 
1 1 1 -6  20 25 o 161.6071 5.528350 1290.385       87.32172 1242.000       123.3449 1339.000       123.6387 157.7247 8.015706 163.8947 7.728734 -6.170029      11.13485 
1 1 1 -6  20 26 o 146.2040 5.322944 1056.815       76.04872 1115.000       111.9752 1007.000       103.6096 149.3732 7.684314 142.0136 7.479934 7.359680       10.72372 
1 1 1 -6  20 27 o 88.23275 5.333183 386.2346       45.84480 385.6000       66.78857 386.8000       63.04218 87.46663 7.885649 87.75163 7.408708 -0.2850037     10.82000 
1 1 1 -6  20 28 f 85.92498 5.380240 366.9059       45.02380 365.3000       66.04695 368.3000       61.53840 84.95261 8.038335 85.50893 7.425949 -0.5563202     10.94347 
1 1 1 -6  20 29 o 114.1144 5.126425 646.1035       57.11512 626.0000       82.74326 664.4000       78.93707 111.4047 7.634065 115.0355 7.044175 -3.630852      10.38746 
1 1 1 -6  20 30 o 66.54301 9.224936 229.6000       58.47180 229.6000       58.47180 0.000000       0.000000 66.54301 9.224936 ?        ?        ?              ?        
1 1 1 -6  20 31 o 91.06734 7.846002 422.8000       69.25741 422.8000       69.25741 0.000000       0.000000 91.06734 7.846002 ?        ?        ?              ?        
1 1 1 -6  20 32 o 95.11378 5.203166 451.3869       48.25697 381.4000       68.04633 522.2000       68.44677 86.19453 8.162520 101.5952 6.924320 -15.40067      10.70388 
1 1 1 -6  20 33 o 54.03474 9.719659 155.6000       49.51802 0.000000       0.000000 155.6000       49.51802 ?        ?        54.03474 9.719659 ?              ?        
1 1 1 -6  20 34 o 60.17271 6.643252 184.8228       38.47729 221.3000       58.37523 156.8000       51.16508 64.61663 9.513970 53.96462 10.05620 10.65201       13.84351 
1 1 1 -6  20 35 o 84.90425 5.477784 362.3367       45.28108 325.3000       65.46977 396.3000       62.69457 78.91843 8.615072 87.90647 7.353545 -8.988045      11.32670 
1 1 1 -6  20 36 o 35.59381 9.934778 69.18848       35.92563 -9.228000      53.75154 132.5000       48.29794 24.77098 11.02031 49.13958 10.36783 -24.36860      15.13073 
1 1 1 -6  20 37 o 81.03851 5.732456 332.3079       45.17795 329.9000       68.10648 334.2000       60.37285 78.92278 8.975430 80.18052 7.790576 -1.257744      11.88492 
1 1 1 -6  20 38 o 71.59346 6.163482 261.9083       42.77219 266.5000       64.99168 258.4000       56.80878 70.12350 9.730497 69.83163 8.484991 0.2918701      12.91037 
1 1 1 -6  20 39 o 39.11751 9.520345 85.23976       36.10309 16.29000       53.32331 143.6000       49.05794 27.17336 11.53160 50.63651 10.24995 -23.46314      15.42852 
1 1 1 -6  20 40 o 20.36461 8.885116 -0.2412058     33.38186 19.69000       50.13071 -16.12000      44.74514 26.82306 11.27125 21.39681 9.737390 5.426247       14.89489 
1 1 1 -6  20 41 o 66.34335 6.289948 228.6950       40.35823 203.6000       60.51310 248.8000       54.16362 59.40222 10.80528 67.79840 8.337068 -8.396179      13.64774 
1 1 1 -6  20 42 o 99.09944 5.204892 500.6219       50.31112 505.7000       74.67096 496.4000       68.08549 97.10931 7.924536 96.91399 7.229396 0.1953278      10.72672 
1 1 1 -6  20 43 o 28.05262 11.35610 33.72000       48.40832 33.72000       48.40832 0.000000       0.000000 28.05262 11.35610 ?        ?        ?              ?        
1 1 1 -6  20 44 o 21.00032 8.967602 7.254735       32.59910 40.84000       47.67374 -22.24000      44.67629 28.95615 11.41950 20.40975 9.448864 8.546400       14.82181 
1 1 1 -6  20 45 o 26.58004 10.73201 30.52000       43.10781 0.000000       0.000000 30.52000       43.10781 ?        ?        26.58004 10.73201 ?              ?        
1 1 1 -6  20 46 o 36.30327 9.368491 77.15298       33.51370 99.04000       50.87154 60.37000       44.54676 39.30693 12.06682 31.85760 11.34518 7.449331       16.56265 
1 1 1 -6  20 47 o 23.23269 9.309317 22.11566       32.17246 -1.533000      47.44896 42.24000       43.77077 22.81689 10.23786 28.32325 11.00870 -5.506361      15.03347 
1 1 1 -6  20 48 o 20.09652 9.246448 -14.50000      41.83866 0.000000       0.000000 -14.50000      41.83866 ?        ?        20.09652 9.246448 ?              ?        
1 1 1 -6  20 49 o 24.50003 9.420898 29.95634       31.80227 42.17000       47.50870 20.04000       42.80809 28.23084 11.31242 24.38207 10.33902 3.848770       15.32534 
1 1 1 -6  20 50 o 20.68782 8.762894 10.61774       30.69465 -37.97000      44.53597 54.58000       42.36309 18.58722 8.857151 30.12963 11.01873 -11.54242      14.13724 
1 1 1 -6  20 51 o 21.50911 8.894848 15.91494       30.49879 17.07000       44.59558 14.90000       41.80331 24.16646 10.40696 23.42277 10.08118 0.7436829      14.48914 
1 1 1 -6  20 52 o 51.97827 7.147321 148.7671       35.40220 207.1000       52.52282 100.2000       47.92503 59.27547 9.363002 38.85168 11.66839 20.42379       14.96052 
1 1 1 -6  20 53 o 22.71028 10.13205 4.335000       45.76748 4.335000       45.76748 0.000000       0.000000 22.71028 10.13205 ?        ?        ?              ?        
1 1 1 -6  20 54 o 53.53657 7.091584 158.2636       36.24899 87.49000       50.40096 234.1000       52.17254 35.68276 12.10456 63.65654 8.592436 -27.97378      14.84420 
1 1 1 -6  20 55 o 24.03096 9.329693 29.57306       31.40962 -29.51000      44.78859 86.75000       44.06019 19.04728 9.020103 36.00819 11.25956 -16.96090      14.42706 
1 1 1 -6  20 56 o 25.62630 9.408850 37.97690       30.93587 66.00000       43.87856 10.28000       43.62243 31.41162 11.25153 22.62194 10.00310 8.789684       15.05520 
1 1 1 -6  20 57 o 21.77499 8.931446 20.08429       30.42061 14.92000       43.53904 25.01000       42.52148 23.02247 10.09348 24.22963 10.29058 -1.207157      14.41438 
1 1 1 -6  21 1  f 107.4140 3.309856 565.8475       34.75823 551.1000       73.08431 570.1583       39.51296 105.6044 7.111737 107.7912 3.750701 -2.186752      8.040184 
1 1 1 -6  21 2  o 240.0843 4.875902 2827.949       114.5843 3048.000       241.0321 2763.699       130.2427 248.0964 9.945562 237.2472 5.608490 10.84915       11.41794 
1 1 1 -6  21 3  o 356.4769 7.935076 6260.111       276.8781 6055.000       468.7774 6370.001       343.1228 348.0471 13.78741 358.8570 9.777478 -10.80981      16.90241 
1 1 1 -6  21 4  o 213.2214 5.115602 2231.167       106.7662 0.000000       0.000000 2231.167       106.7662 ?        ?        213.2214 5.115602 ?              ?        
1 1 1 -6  21 5  o 346.2550 7.713977 5904.844       261.4452 6155.000       466.6444 5790.396       315.6360 350.9417 13.61034 342.2250 9.431545 8.716705       16.55885 
1 1 1 -6  21 6  o 189.0674 4.769861 1754.870       88.20264 1882.000       159.5212 1698.889       105.8558 195.1881 8.368910 185.8843 5.825085 9.303802       10.19658 
1 1 1 -6  21 7  o 54.65499 3.880435 147.1703       20.62448 154.0000       49.10217 145.7072       22.72647 55.07323 9.448712 54.33907 4.308041 0.7341652      10.38448 
1 1 1 -6  21 8  o 190.4492 4.100524 1778.469       76.44071 1750.000       154.0656 1787.766       88.04171 188.1784 8.385366 190.8892 4.711952 -2.710861      9.618568 
1 1 1 -6  21 9  o 80.71547 3.281499 319.7661       25.87193 323.5000       58.94199 318.8750       28.79404 80.69660 7.549785 80.57458 3.660446 0.1220245      8.390359 
1 1 1 -6  21 10 o 247.5488 5.739183 3010.559       139.0647 3006.000       243.0194 3012.779       169.5729 246.1832 10.10650 247.3116 7.012039 -1.128418      12.30081 
1 1 1 -6  21 11 o 197.6888 4.831224 1917.933       93.48575 2051.000       171.7007 1861.865       111.4543 203.6419 8.633467 194.5651 5.858964 9.076767       10.43380 
1 1 1 -6  21 12 o 272.0249 6.214124 3638.619       165.4607 3426.000       278.4439 3754.680       205.7220 262.4807 10.86109 275.8993 7.625014 -13.41861      13.27042 
1 1 1 -6  21 13 o 100.6045 3.177557 496.4737       31.25158 506.9000       70.14429 493.8915       34.90761 101.2006 7.126708 100.3132 3.560782 0.8874512      7.966752 
1 1 1 -6  21 14 o 35.14287 4.655348 61.66676       15.62033 57.74000       48.34251 62.12453       16.50572 35.15212 11.85513 35.23511 4.919721 -0.8298492E-01 12.83541 
1 1 1 -6  21 15 o 187.8411 4.636943 1732.060       85.25672 0.000000       0.000000 1732.060       85.25672 ?        ?        187.8411 4.636943 ?              ?        
1 1 1 -6  21 16 o 163.9923 4.251296 1320.539       68.18435 0.000000       0.000000 1320.539       68.18435 ?        ?        163.9923 4.251296 ?              ?        
1 1 1 -6  21 17 o 81.29159 3.231891 324.4440       25.66505 263.4000       62.33908 336.9025       28.16253 72.38369 8.991874 82.81947 3.481792 -10.43578      9.642441 
1 1 1 -6  21 18 o 117.9512 5.067973 685.0369       58.37518 583.5000       81.46421 792.2000       83.69075 108.3878 7.729290 126.5686 6.780051 -18.18081      10.28159 
1 1 1 -6  21 19 o 113.4003 3.880951 631.7809       43.01481 622.6000       81.41676 635.3359       50.66288 111.9949 7.469627 113.6364 4.564053 -1.641487      8.753623 
1 1 1 -6  21 20 o 85.03088 3.192222 355.0479       26.52187 280.4000       66.50297 369.1659       28.92134 74.52390 9.319938 86.68666 3.415157 -12.16276      9.925952 
1 1 1 -6  21 21 o 187.7908 4.058800 1731.938       74.60678 1826.000       160.8448 1706.152       84.21416 191.4839 8.603580 186.2926 4.618312 5.191315       9.764752 
1 1 1 -6  21 22 o 172.8906 5.709088 1475.715       96.48248 1467.000       138.2064 1484.000       134.7528 171.5714 8.253779 172.6600 7.995034 -1.088638      11.49110 
1 1 1 -6  21 23 o 104.8048 5.042603 542.3882       51.57818 486.7000       73.16642 597.4000       72.72075 98.68903 7.633497 109.6133 6.811460 -10.92425      10.23065 
1 1 1 -6  21 24 o 128.2590 5.133945 812.5952       64.32310 849.4000       94.72302 781.1000       87.62434 130.4808 7.447497 125.1927 7.180670 5.288017       10.34540 
1 1 1 -6  21 25 o 143.8788 5.297490 1023.904       74.47849 1085.000       110.0077 972.2000       101.1997 147.2825 7.657015 139.4811 7.439285 7.801407       10.67581 
1 1 1 -6  21 26 o 88.88102 5.304819 392.0438       45.94152 373.6000       67.34310 408.1000       62.83333 85.96960 8.098197 90.18156 7.177305 -4.211952      10.82102 
1 1 1 -6  21 27 o 33.81055 9.625823 59.66929       33.38232 51.80000       49.88724 66.05000       44.92170 33.54799 11.99948 35.88052 11.38932 -2.332535      16.54400 
1 1 1 -6  21 28 o 94.40466 5.263658 443.0860       48.44671 428.4000       70.11941 456.5000       67.01403 91.94439 7.866759 95.17280 7.248121 -3.228409      10.69678 
1 1 1 -6  21 29 o 116.0741 7.510505 681.2000       84.87369 681.2000       84.87369 0.000000       0.000000 116.0741 7.510505 ?        ?        ?              ?        
1 1 1 -6  21 30 o 107.2694 5.106827 572.9343       53.46680 509.6000       74.88342 638.8000       76.36529 100.0614 7.704916 112.4692 6.971014 -12.40782      10.39042 
1 1 1 -6  21 31 o 56.28172 6.825024 161.6420       36.83175 85.25000       53.57591 230.1000       50.71747 39.66140 12.41813 66.86677 7.901370 -27.20537      14.71875 
1 1 1 -6  21 32 o 54.63651 9.492793 158.6000       48.92587 0.000000       0.000000 158.6000       48.92587 ?        ?        54.63651 9.492793 ?              ?        
1 1 1 -6  21 33 o 76.47254 5.678864 294.4339       42.20485 252.8000       60.69970 333.4000       58.72274 69.28623 9.175550 80.57717 7.532701 -11.29094      11.87149 
1 1 1 -6  21 34 o 28.76504 9.868091 41.24773       33.51368 48.41000       50.34911 35.55000       44.90734 32.17967 11.96930 29.19982 11.20343 2.979851       16.39454 
1 1 1 -6  21 35 o 62.39993 6.473606 199.0663       38.96617 103.3000       55.60095 291.5000       54.62497 42.59351 12.51309 75.10250 7.532281 -32.50899      14.60523 
1 1 1 -6  21 36 o 72.11167 5.834657 263.8008       40.83242 233.3000       59.18785 291.5000       56.40419 65.95970 9.435954 74.81525 7.817441 -8.855553      12.25356 
1 1 1 -6  21 37 o 33.44752 9.856727 61.51905       34.45489 35.49000       52.25446 81.54000       45.82860 29.88990 11.90179 37.94522 11.41353 -8.055319      16.49003 
1 1 1 -6  21 38 o 63.80722 6.354929 209.8620       39.16336 244.3000       59.86708 184.1000       51.77969 67.02367 9.382081 58.02063 9.441739 9.003044       13.31052 
1 1 1 -6  21 39 o 17.78981 8.164611 -17.55587      32.33985 19.33000       48.92923 -46.17000      43.09517 26.57783 11.14970 18.23468 8.695724 8.343147       14.13971 
1 1 1 -6  21 40 o 32.94511 9.796139 61.74571       33.90874 55.29000       51.22742 66.78000       45.23762 32.11544 12.04748 33.99715 11.46811 -1.881706      16.63308 
1 1 1 -6  21 41 o 37.16220 9.259624 78.53186       33.55849 65.61000       50.66808 88.63000       44.79119 33.72667 12.08955 38.50715 11.20841 -4.780487      16.48592 
1 1 1 -6  21 42 o 28.93948 11.49928 39.27000       48.68119 39.27000       48.68119 0.000000       0.000000 28.93948 11.49928 ?        ?        ?              ?        
1 1 1 -6  21 43 o 50.67345 7.481649 138.9071       35.99475 128.3000       53.80451 147.5000       48.42754 45.45500 11.94073 50.32693 10.18084 -4.871925      15.69174 
1 1 1 -6  21 44 o 30.72477 11.18043 53.59000       43.53649 0.000000       0.000000 53.59000       43.53649 ?        ?        30.72477 11.18043 ?              ?        
1 1 1 -6  21 45 o 56.99012 6.614795 172.9263       36.21498 181.0000       54.63781 166.6000       48.36534 55.19317 10.49700 53.72213 9.547430 1.471039       14.18945 
1 1 1 -6  21 46 o 25.80278 9.444521 35.05998       31.13340 19.77000       47.12759 46.90000       41.47133 25.36511 10.80536 29.04349 10.85108 -3.678375      15.31345 
1 1 1 -6  21 47 o 24.44071 9.353265 29.50858       31.24560 0.5343000      46.94064 52.56000       41.86889 22.78896 10.20736 29.88557 10.95029 -7.096613      14.96994 
1 1 1 -6  21 48 o 23.49462 9.206701 25.65897       30.81680 11.84000       45.37535 37.49000       41.98492 23.71545 10.35282 27.00020 10.69504 -3.284748      14.88505 
1 1 1 -6  21 49 o 33.39872 11.51597 71.61000       45.65930 0.000000       0.000000 71.61000       45.65930 ?        ?        33.39872 11.51597 ?              ?        
1 1 1 -6  21 50 o 21.99248 8.984700 18.54662       30.63111 21.86000       44.52728 15.57000       42.20391 24.76594 10.52489 23.54809 10.13218 1.217850       14.60939 
1 1 1 -6  21 51 o 41.49300 8.532861 100.0727       33.49790 127.7000       48.91314 75.67000       45.97008 44.48584 11.23272 33.94859 11.55962 10.53725       16.11828 
1 1 1 -6  21 52 o 29.08884 11.34822 49.45000       46.64883 49.45000       46.64883 0.000000       0.000000 29.08884 11.34822 ?        ?        ?              ?        
1 1 1 -6  21 53 o 24.09952 9.400846 29.07393       32.00993 27.82000       46.53611 30.20000       44.09984 25.64261 10.82214 25.70346 10.66859 -0.6084633E-01 15.19663 
1 1 1 -6  21 54 o 24.98630 9.441860 33.81816       31.59204 60.47000       45.73671 9.499000       43.68936 30.72363 11.41167 22.78412 10.04554 7.939510       15.20326 
1 1 1 -6  21 55 o 27.10360 9.520773 44.12700       31.28389 30.08000       44.19815 58.23000       44.28618 25.38672 10.61985 30.01596 11.21351 -4.629248      15.44423 
1 1 1 -6  21 56 o 19.29704 8.401113 6.409211       29.70673 2.835000       41.46051 10.18000       42.58540 21.20740 9.538378 22.26756 9.863114 -1.060160      13.72085 
1 1 1 -6  22 1  o 277.5895 5.499390 3784.202       149.4252 3722.000       296.2750 3805.421       173.0456 273.6508 11.08388 278.2068 6.354577 -4.555939      12.77627 
1 1 1 -6  22 2  o 142.8686 3.542626 1000.394       49.54139 1022.000       102.8489 993.8666       56.53209 143.8835 7.326806 142.3120 4.062485 1.571442       8.377701 
1 1 1 -6  22 3  o 195.4632 4.197031 1873.629       80.29961 1925.000       165.1371 1857.721       91.89552 197.3135 8.570752 194.5685 4.825203 2.744965       9.835670 
1 1 1 -6  22 4  o 347.3903 7.754731 5947.330       263.6882 5971.000       458.5034 5935.632       322.3261 345.3701 13.58940 346.3172 9.517595 -0.9470825     16.59085 
1 1 1 -6  22 5  o 126.1961 3.425502 781.0542       42.27414 670.3000       83.96625 818.6603       48.92754 116.4269 7.406319 129.1634 3.874350 -12.73650      8.358478 
1 1 1 -6  22 6  o 221.4176 6.543260 2413.573       141.6563 0.000000       0.000000 2413.573       141.6563 ?        ?        221.4176 6.543260 ?              ?        
1 1 1 -6  22 7  o 179.2042 5.731881 1579.468       100.4137 1575.000       141.4977 1584.000       142.5206 178.5105 8.119287 179.0131 8.155090 -0.5025940     11.50775 
1 1 1 -6  22 8  o 150.1817 4.258675 1107.179       62.54015 1324.000       118.9613 1024.367       73.51968 163.7587 7.441002 144.3412 5.212195 19.41753       9.084905 
1 1 1 -6  22 9  o 104.7195 3.243520 537.9203       33.20674 549.6000       72.74203 534.8456       37.32254 105.4051 7.091733 104.3872 3.658388 1.017967       7.979754 
1 1 1 -6  22 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  22 11 o 13.39583 5.903280 -4.475489      15.06970 -101.2000      45.49318 7.446000       15.97141 16.07569 7.940285 16.69552 6.601729 -0.6198273     10.32623 
1 1 1 -6  22 12 o 98.89230 3.623221 480.1467       35.01296 491.8000       70.20465 476.2886       40.39526 99.62185 7.249150 98.43996 4.201970 1.181892       8.378945 
1 1 1 -6  22 13 o 98.15240 3.295022 472.7660       31.61180 366.1000       68.35991 501.7803       35.65289 85.68369 8.252711 101.0963 3.608697 -15.41261      9.007216 
1 1 1 -6  22 14 o 35.59146 4.907658 63.38090       16.64265 0.000000       0.000000 63.38090       16.64265 ?        ?        35.59146 4.907658 ?              ?        
1 1 1 -6  22 15 o 185.4932 4.027652 1688.271       73.12842 1662.000       151.3347 1696.275       83.52786 183.0578 8.468809 185.8613 4.591304 -2.803513      9.633317 
1 1 1 -6  22 16 o 77.54350 4.231872 296.0473       31.99889 291.8000       62.78857 297.5374       37.19096 76.28426 8.556191 77.65827 4.917903 -1.374008      9.868850 
1 1 1 -6  22 17 o 127.6418 3.338340 799.5142       41.67318 753.8000       90.36192 811.8636       46.96595 123.2567 7.525642 128.5813 3.735596 -5.324532      8.401783 
1 1 1 -6  22 18 o 80.40525 4.118189 318.2664       32.30337 304.6000       63.86555 322.9648       37.44670 77.90393 8.513757 80.92081 4.748539 -3.016876      9.748471 
1 1 1 -6  22 19 o 72.56035 3.322759 258.8118       23.53695 228.2000       61.93930 263.9782       25.44572 66.96651 9.734197 73.25905 3.559171 -6.292534      10.36447 
1 1 1 -6  22 20 o 197.9325 4.934283 1928.202       95.59769 1751.000       161.5511 2023.689       118.5895 187.2657 8.838378 202.4188 5.991943 -15.15306      10.67803 
1 1 1 -6  22 21 o 121.9212 3.919804 731.1204       46.71810 585.9000       83.54530 797.1907       56.35230 108.2646 7.938882 127.2123 4.532847 -18.94766      9.141802 
1 1 1 -6  22 22 o 104.5789 5.069227 540.3748       51.73641 526.0000       75.18993 553.3000       71.29780 102.5875 7.540573 105.3914 6.950176 -2.803932      10.25501 
1 1 1 -6  22 23 o 80.35428 5.481303 320.4554       42.85395 275.0000       61.30188 363.9000       59.93065 73.61507 8.673786 85.22762 7.252768 -11.61255      11.30651 
1 1 1 -6  22 24 o 161.5787 5.541454 1293.174       87.51266 1236.000       122.8893 1352.000       124.6527 156.9371 8.026521 164.2778 7.774107 -7.340744      11.17416 
1 1 1 -6  22 25 o 111.9754 5.075598 621.1375       55.48626 726.1000       84.69050 542.2000       73.44447 120.3645 7.221575 103.9370 7.264833 16.42744       10.24348 
1 1 1 -6  22 26 o 75.93794 5.586257 287.5813       41.23212 286.3000       60.39212 288.7000       56.43124 74.91171 8.379545 75.44682 7.751534 -0.5351105     11.41504 
1 1 1 -6  22 27 o 81.54183 5.431927 331.4379       43.10793 321.6000       62.99863 340.1000       59.11424 79.39548 8.225433 81.96148 7.449761 -2.566002      11.09760 
1 1 1 -6  22 28 o 123.4893 7.544450 771.8000       90.75815 771.8000       90.75815 0.000000       0.000000 123.4893 7.544450 ?        ?        ?              ?        
1 1 1 -6  22 29 o 65.49543 5.986374 216.1145       37.95400 167.6000       54.62351 261.4000       52.77436 56.00991 10.34439 71.46871 7.663524 -15.45880      12.87385 
1 1 1 -6  22 30 f 94.82324 7.128443 456.7000       65.67869 0.000000       0.000000 456.7000       65.67869 ?        ?        94.82324 7.128443 ?              ?        
1 1 1 -6  22 31 o 93.93867 7.150368 449.5000       65.25351 0.000000       0.000000 449.5000       65.25351 ?        ?        93.93867 7.150368 ?              ?        
1 1 1 -6  22 32 o 49.33848 7.297738 126.1484       34.18185 129.3000       51.69464 123.7000       45.56446 48.37991 11.14576 47.75090 10.06624 0.6290054      15.01857 
1 1 1 -6  22 33 o 29.46965 9.656651 44.80672       32.12723 59.37000       49.19897 33.98000       42.42044 34.01910 11.94042 28.50913 10.90121 5.509977       16.16818 
1 1 1 -6  22 34 o 29.16572 9.808167 43.51270       33.09035 -9.428000      48.51100 89.58000       45.25241 23.50291 10.46193 40.04615 11.13990 -16.54324      15.28232 
1 1 1 -6  22 35 o 71.56947 5.855012 260.0280       40.65861 221.2000       58.67252 295.9000       56.39500 64.04195 9.659945 75.39682 7.751865 -11.35487      12.38572 
1 1 1 -6  22 36 o 30.64359 9.809352 50.40284       33.26651 28.28000       49.06162 69.23000       45.25992 28.29231 11.43992 35.30114 11.45458 -7.008833      16.18886 
1 1 1 -6  22 37 o 34.60487 9.474973 66.62751       33.02832 29.82000       48.27048 99.03000       45.29004 28.18957 11.36550 41.52547 10.97755 -13.33590      15.80130 
1 1 1 -6  22 38 o 98.06203 5.215409 487.6225       49.88049 488.2000       72.37325 487.1000       68.84247 96.13158 7.757231 96.37971 7.352843 -0.2481384     10.68826 
1 1 1 -6  22 39 o 20.04045 8.762181 -0.2434851     32.61363 50.30000       50.32948 -36.83000      42.82037 31.18936 11.88670 18.81229 8.882068 12.37707       14.83863 
1 1 1 -6  22 40 o 62.24567 6.224325 201.8547       37.41534 220.6000       55.46347 186.2000       50.68534 62.91264 9.285383 57.72907 9.284549 5.183571       13.13092 
1 1 1 -6  22 41 o 22.13207 9.974480 -7.978000      45.60026 -7.978000      45.60026 0.000000       0.000000 22.13207 9.974480 ?        ?        ?              ?        
1 1 1 -6  22 42 o 54.57457 6.865580 158.5750       35.86557 208.2000       53.88346 119.1000       48.05807 60.68780 9.372417 44.38953 11.09265 16.29827       14.52202 
1 1 1 -6  22 43 o 23.20407 10.04098 8.782000       41.90999 0.000000       0.000000 8.782000       41.90999 ?        ?        23.20407 10.04098 ?              ?        
1 1 1 -6  22 44 o 60.90178 6.440963 196.4241       37.81497 206.1000       56.16315 188.4000       51.14525 59.44806 10.00684 57.28432 9.450716 2.163738       13.76419 
1 1 1 -6  22 45 o 33.76700 9.395206 67.14430       32.18409 61.79000       48.11423 71.48000       43.29639 32.06300 11.74015 34.01400 11.21359 -1.950996      16.23501 
1 1 1 -6  22 46 f 20.37339 8.679993 8.607063       30.41790 4.933000       46.23911 11.41000       40.38712 23.17512 10.27068 22.90110 9.883194 0.2740269      14.25357 
1 1 1 -6  22 47 o 42.27229 8.202061 101.7808       32.71337 55.84000       46.47383 146.9000       46.05637 30.48826 11.46689 49.55871 9.841455 -19.07045      15.11105 
1 1 1 -6  22 48 o 36.99710 9.122778 81.41008       32.82566 36.66000       47.41499 122.6000       45.48981 27.30707 11.16981 44.32483 10.62340 -17.01776      15.41497 
1 1 1 -6  22 49 o 36.22979 9.087936 78.31018       32.16892 113.0000       47.07536 47.92000       44.06150 41.77464 11.25938 28.78922 11.08413 12.98541       15.79973 
1 1 1 -6  22 50 o 30.95688 11.47918 60.18000       46.24379 0.000000       0.000000 60.18000       46.24379 ?        ?        30.95688 11.47918 ?              ?        
1 1 1 -6  22 51 o 27.07265 11.08089 36.86000       46.69971 36.86000       46.69971 0.000000       0.000000 27.07265 11.08089 ?        ?        ?              ?        
1 1 1 -6  22 52 o 21.07800 8.940084 12.47891       32.02026 5.897000       46.59212 18.37000       44.07927 22.90963 10.22182 24.03298 10.34798 -1.123344      14.54532 
1 1 1 -6  22 53 o 34.34716 9.427933 72.33434       32.65443 76.14000       47.12765 68.82000       45.28795 33.66770 11.69513 32.34726 11.44719 1.320438       16.36502 
1 1 1 -6  22 54 f 25.20650 9.326974 35.83667       30.49973 43.37000       43.07140 28.26000       43.19514 27.42558 10.84232 25.05840 10.49171 2.367176       15.08748 
1 1 1 -6  22 55 o 22.91481 9.094156 25.90537       30.41129 8.160000       42.88849 43.85000       43.12862 22.12991 9.844712 27.22092 10.82128 -5.091009      14.62937 
1 1 1 -6  22 56 o 21.51600 8.873577 19.48359       30.24216 34.16000       42.80016 4.850000       42.73766 25.40690 10.52470 21.53804 9.685877 3.868856       14.30334 
1 1 1 -6  23 1  o 223.9069 5.383776 2462.654       117.9942 2258.000       194.6939 2581.460       148.3408 213.4202 9.342523 228.9344 6.626747 -15.51427      11.45410 
1 1 1 -6  23 2  o 109.1695 3.371115 584.6800       35.97994 622.1000       76.92648 574.2017       40.70693 112.1739 7.041652 108.1462 3.851633 4.027641       8.026203 
1 1 1 -6  23 3  o 168.9291 4.508867 1401.264       74.48858 1464.000       132.6995 1372.402       90.00660 172.0924 7.898799 167.0424 5.512346 5.049957       9.632081 
1 1 1 -6  23 4  o 302.1543 5.915538 4488.420       174.9561 4617.000       357.9623 4448.064       200.5410 304.0783 12.05054 300.5712 6.816317 3.507111       13.84477 
1 1 1 -6  23 5  o 148.9178 3.618669 1087.213       52.74749 1048.000       107.2856 1099.714       60.57428 145.5980 7.553835 149.6752 4.138559 -4.077271      8.613251 
1 1 1 -6  23 6  o 123.7559 3.989937 751.9335       48.26921 714.9000       85.87512 769.0379       58.36109 120.2106 7.333135 125.0724 4.775890 -4.861847      8.751228 
1 1 1 -6  23 7  o 105.0501 3.647861 541.7227       37.45255 0.000000       0.000000 541.7227       37.45255 ?        ?        105.0501 3.647861 ?              ?        
1 1 1 -6  23 8  o 251.4867 5.896269 3110.428       145.1438 3281.000       261.0840 3034.133       174.6132 256.7733 10.40939 247.9854 7.201200 8.787903       12.65752 
1 1 1 -6  23 9  o 54.83480 4.399394 148.5117       23.41525 145.2000       54.47060 149.2624       25.93365 53.09015 10.84875 54.91727 4.875060 -1.827118      11.89376 
1 1 1 -6  23 10 o 96.51244 3.630403 457.4005       34.23493 509.1000       71.83442 442.2072       38.94180 101.3390 7.290575 94.83881 4.205379 6.500229       8.416513 
1 1 1 -6  23 11 o 84.92889 4.337352 354.9279       35.93732 404.2000       66.38205 334.5000       42.74265 90.17608 7.591026 82.32526 5.332922 7.850815       9.277054 
1 1 1 -6  23 12 o 105.1588 4.279710 543.6695       43.96002 0.000000       0.000000 543.6695       43.96002 ?        ?        105.1588 4.279710 ?              ?        
1 1 1 -6  23 13 o 42.27566 4.065860 88.51543       16.61753 0.000000       0.000000 88.51543       16.61753 ?        ?        42.27566 4.065860 ?              ?        
1 1 1 -6  23 14 f 91.90682 3.117117 414.5827       28.00129 481.0000       70.30180 402.0593       30.52728 98.40275 7.351964 90.47678 3.453368 7.925972       8.122630 
1 1 1 -6  23 15 o 105.8510 3.986085 550.7607       41.22601 651.0000       80.60938 515.2554       47.97486 114.5544 7.225804 102.2743 4.805706 12.28004       8.677964 
1 1 1 -6  23 16 o 52.76022 3.653835 137.2467       18.75300 63.59000       54.71623 147.0504       19.96203 36.84224 12.60990 54.60966 3.757371 -17.76743      13.15779 
1 1 1 -6  23 17 o 80.79560 3.191182 320.6811       25.18781 362.9000       66.18002 313.5297       27.23768 85.15961 8.034348 79.85850 3.492967 5.301117       8.760797 
1 1 1 -6  23 18 f 216.2842 5.274926 2304.385       111.6728 2019.000       182.8588 2474.130       141.0263 200.8649 9.325941 223.6599 6.448509 -22.79503      11.33827 
1 1 1 -6  23 19 o 81.26614 4.055424 325.3858       32.15716 286.6000       63.07253 339.0091       37.38046 75.31871 8.715880 82.87222 4.626546 -7.553505      9.867700 
1 1 1 -6  23 20 o 158.2610 3.658257 1230.413       56.67015 1272.000       121.8962 1218.946       64.00800 159.6690 7.823255 157.3818 4.158667 2.287155       8.859900 
1 1 1 -6  23 21 o 120.9611 5.099599 723.1506       60.24382 600.4000       82.21281 865.5000       88.53310 109.4892 7.720682 131.8394 6.884330 -22.35017      10.34422 
1 1 1 -6  23 22 o 108.3928 5.058241 581.3186       53.51884 590.0000       78.01152 573.6000       73.55875 108.5414 7.386735 107.1227 7.054570 1.418709       10.21425 
1 1 1 -6  23 23 o 128.2318 5.132573 814.1843       64.29229 777.4000       91.09005 850.7000       90.75691 124.4763 7.511098 130.3839 7.138546 -5.907562      10.36221 
1 1 1 -6  23 24 o 137.0860 5.227534 931.6943       70.01638 988.1000       103.1497 883.5000       95.34631 140.2194 7.543188 132.6475 7.372425 7.571915       10.54762 
1 1 1 -6  23 25 o 93.80082 5.183259 437.2895       47.40499 411.0000       68.03259 462.1000       66.09113 90.06398 7.793826 95.80541 7.098110 -5.741432      10.54167 
1 1 1 -6  23 26 o 120.2332 5.159396 718.3975       60.57837 677.2000       84.81530 761.3000       86.55262 115.7407 7.527390 122.8935 7.227142 -7.152786      10.43519 
1 1 1 -6  23 27 o 83.12825 7.900828 353.0000       63.51568 353.0000       63.51568 0.000000       0.000000 83.12825 7.900828 ?        ?        ?              ?        
1 1 1 -6  23 28 o 19.37727 8.507720 -5.435143      31.03470 -45.93000      45.89574 28.68000       42.12560 19.52982 9.213137 27.78583 10.79983 -8.256010      14.19571 
1 1 1 -6  23 29 o 52.09665 9.814766 145.1000       48.21354 0.000000       0.000000 145.1000       48.21354 ?        ?        52.09665 9.814766 ?              ?        
1 1 1 -6  23 30 o 53.42766 9.784147 153.0000       49.28262 0.000000       0.000000 153.0000       49.28262 ?        ?        53.42766 9.784147 ?              ?        
1 1 1 -6  23 31 o 46.36406 7.833741 112.6992       34.28616 82.05000       50.14858 139.6000       46.98208 38.58142 12.00438 50.87757 9.789411 -12.29615      15.48993 
1 1 1 -6  23 32 o 74.85390 5.619949 282.6245       40.87618 212.2000       58.50244 349.8000       57.13704 62.87984 9.826460 82.59977 7.136902 -19.71993      12.14474 
1 1 1 -6  23 33 o 65.93648 5.926910 220.8213       37.84479 283.1000       58.23821 175.3000       49.79042 73.55800 8.229448 57.23019 9.199943 16.32780       12.34353 
1 1 1 -6  23 34 o 78.02353 5.600937 307.9720       42.49065 225.5000       60.39565 388.8000       59.79065 64.50137 9.880207 86.89137 7.091540 -22.38999      12.16176 
1 1 1 -6  23 35 f 32.64286 9.746180 58.49680       33.51003 4.988000       49.46022 103.9000       45.56031 25.15973 10.89758 42.80154 10.85928 -17.64181      15.38445 
1 1 1 -6  23 36 o 82.44824 5.337730 344.6531       42.84537 345.4000       62.72850 344.0000       58.66083 80.80795 8.037001 81.04360 7.479065 -0.2356491     10.97861 
1 1 1 -6  23 37 o 67.79702 5.935979 236.3720       38.99512 185.1000       56.72892 282.3000       53.69123 57.08561 10.54068 73.03850 7.622141 -15.95288      13.00780 
1 1 1 -6  23 38 o 37.56296 9.057033 79.50990       32.90998 71.04000       49.37677 86.28000       44.14493 34.83343 11.97700 38.14999 11.13377 -3.316555      16.35265 
1 1 1 -6  23 39 o 70.09157 5.674075 253.1112       38.59590 208.4000       55.15961 296.0000       54.02380 60.86888 9.573844 74.48124 7.512803 -13.61236      12.16966 
1 1 1 -6  23 40 o 25.89685 10.78344 22.54000       45.26137 22.54000       45.26137 0.000000       0.000000 25.89685 10.78344 ?        ?        ?              ?        
1 1 1 -6  23 41 o 68.83936 5.774034 245.8240       38.54834 328.8000       58.33384 181.5000       51.36069 78.00236 7.742311 56.33449 9.661965 21.66787       12.38131 
1 1 1 -6  23 42 o 42.23191 10.89254 108.2000       45.32116 0.000000       0.000000 108.2000       45.32116 ?        ?        42.23191 10.89254 ?              ?        
1 1 1 -6  23 43 o 35.35175 9.436212 73.28838       33.26165 105.2000       49.87129 47.72000       44.64036 40.72342 11.81926 29.52377 11.20825 11.19965       16.28864 
1 1 1 -6  23 44 o 21.11887 8.878523 11.48120       31.12892 44.89000       46.99829 -14.63000      41.54943 29.05153 11.37404 20.16036 9.253252 8.891174       14.66259 
1 1 1 -6  23 45 o 35.67626 9.115401 74.97800       31.94492 76.63000       47.46386 73.61000       43.19164 34.58619 11.74641 34.19863 11.19613 0.3875656      16.22750 
1 1 1 -6  23 46 o 38.53493 8.842400 86.95699       32.64396 89.84000       47.66392 84.41000       44.80011 36.98377 11.73087 36.14079 11.36130 0.8429756      16.33072 
1 1 1 -6  23 47 o 34.80809 9.203652 72.58479       31.83138 43.96000       45.74754 99.45000       44.31918 28.26565 11.17419 39.34434 11.05364 -11.07869      15.71768 
1 1 1 -6  23 48 o 26.03820 9.375128 37.91945       30.50789 45.04000       43.86814 31.25000       42.45584 28.29669 11.01459 25.89621 10.57839 2.400476       15.27165 
1 1 1 -6  23 49 o 31.69453 9.504149 61.09052       31.81394 80.61000       46.65792 44.13000       43.49213 34.86504 11.64559 28.02737 10.95076 6.837677       15.98558 
1 1 1 -6  23 50 o 39.40432 11.91511 105.1000       49.85043 105.1000       49.85043 0.000000       0.000000 39.40432 11.91511 ?        ?        ?              ?        
1 1 1 -6  23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  23 52 o 21.69937 9.029694 16.78774       31.70656 -70.11000      45.07439 101.9000       44.60892 16.37996 8.054428 39.34473 11.10236 -22.96477      13.71628 
1 1 1 -6  23 53 o 21.23675 8.801852 16.56274       29.95642 9.027000       41.83841 24.49000       42.91152 22.26819 9.823746 24.49085 10.36682 -2.222664      14.28205 
1 1 1 -6  23 54 o 31.22025 9.361800 61.02721       30.86824 44.46000       43.18783 78.33000       44.13619 27.37042 10.84542 33.71990 11.32742 -6.349483      15.68227 
1 1 1 -6  23 55 o 21.92804 8.919381 21.60087       30.02896 74.11000       42.07190 -32.93000      42.87419 32.79085 11.05956 18.05965 8.629067 14.73120       14.02764 
1 1 1 -6  24 1  o 126.7301 3.410502 787.9317       42.26775 801.9000       89.70231 783.9453       47.92120 127.3163 7.227712 126.3639 3.878940 0.9524460      8.202805 
1 1 1 -6  24 2  o 100.6551 3.946061 497.7413       38.80285 432.3000       69.14281 527.8270       46.88140 93.28033 7.639569 103.5839 4.635575 -10.30361      8.935970 
1 1 1 -6  24 3  o 180.6893 3.982659 1601.616       70.43876 1908.000       158.7585 1526.519       78.59865 196.2851 8.281718 176.2800 4.559009 20.00511       9.453646 
1 1 1 -6  24 4  o 163.8954 4.421551 1319.427       70.86810 1238.000       122.2800 1360.610       86.96194 158.1149 7.926174 166.2968 5.349392 -8.181961      9.562439 
1 1 1 -6  24 5  o 211.8026 4.434254 2202.008       91.93015 2446.000       199.2504 2136.023       103.6180 221.9719 9.190422 208.5096 5.076951 13.46228       10.49949 
1 1 1 -6  24 6  o 113.6000 3.293743 633.1569       36.58604 653.6000       80.77630 627.8807       41.03664 114.8874 7.219491 113.0873 3.712279 1.800095       8.118009 
1 1 1 -6  24 7  o 100.5917 3.265954 496.5634       32.11459 429.4000       69.71332 514.6559       36.18247 92.92534 7.734410 102.3790 3.616295 -9.453621      8.538073 
1 1 1 -6  24 8  f 33.40366 6.264534 56.71642       19.73053 4.626000       49.84671 66.39403       21.48531 26.58062 11.20831 36.20570 6.290763 -9.625080      12.85301 
1 1 1 -6  24 9  o 111.2619 4.764546 609.2571       51.76872 0.000000       0.000000 609.2571       51.76872 ?        ?        111.2619 4.764546 ?              ?        
1 1 1 -6  24 10 o 62.53625 4.144341 192.8055       25.22531 162.5000       56.31416 200.4127       28.21421 56.19616 10.62696 63.71619 4.553914 -7.520031      11.56159 
1 1 1 -6  24 11 o 158.0214 5.265169 1229.552       81.32566 0.000000       0.000000 1229.552       81.32566 ?        ?        158.0214 5.265169 ?              ?        
1 1 1 -6  24 12 o 93.85087 4.181804 433.3481       38.31918 0.000000       0.000000 433.3481       38.31918 ?        ?        93.85087 4.181804 ?              ?        
1 1 1 -6  24 13 o 116.7315 3.776478 669.4724       43.09327 739.3000       87.16833 646.8866       49.57508 122.0423 7.330756 114.6602 4.425482 7.382080       8.562995 
1 1 1 -6  24 14 o 126.6891 3.333379 787.9020       41.30025 871.4000       94.64110 768.2607       45.90148 132.4899 7.326303 125.0479 3.754364 7.442078       8.232251 
1 1 1 -6  24 15 o 82.56545 3.133603 334.8552       25.27898 467.2000       68.16120 313.7488       27.22020 96.87090 7.240877 79.88136 3.489706 16.98954       8.037932 
1 1 1 -6  24 16 o 161.2578 5.485344 1283.537       86.45660 1222.000       122.3047 1345.000       122.2315 156.5907 8.005987 164.4398 7.614665 -7.849060      11.04893 
1 1 1 -6  24 17 o 51.79119 3.676310 132.4043       18.51578 226.8000       57.17825 121.3461       19.57029 66.80633 8.970429 49.51955 4.073503 17.28678       9.852007 
1 1 1 -6  24 18 o 135.8300 5.176519 911.1832       68.69802 877.8000       98.34212 943.0000       96.00731 132.6212 7.607577 137.6260 7.151382 -5.004761      10.44114 
1 1 1 -6  24 19 o 76.15671 4.155910 286.2363       30.86253 151.3000       58.15916 339.1280       36.41222 53.56776 11.43981 82.85649 4.506635 -29.28873      12.29549 
1 1 1 -6  24 20 o 63.18809 3.305671 196.6794       20.37455 245.5000       55.63618 189.1180       21.89559 69.53234 8.340835 61.91664 3.628700 7.615700       9.095987 
1 1 1 -6  24 21 o 58.90004 6.504344 174.5208       36.87561 172.0000       54.15479 176.7000       50.35254 57.45620 9.991865 58.54729 9.080255 -1.091087      13.50142 
1 1 1 -6  24 22 o 114.2726 5.041859 647.0986       56.25594 685.5000       82.95418 614.4000       76.54730 116.8450 7.289381 110.6676 7.104002 6.177429       10.17850 
1 1 1 -6  24 23 o 143.0622 5.264774 1015.750       73.59857 1005.000       105.3472 1026.000       102.8654 141.2222 7.649586 142.8342 7.382559 -1.611984      10.63101 
1 1 1 -6  24 24 o 168.8885 5.677338 1419.847       93.72021 1316.000       128.9822 1536.000       136.4103 161.1180 8.205631 174.2266 8.020346 -13.10866      11.47425 
1 1 1 -6  24 25 o 96.01121 7.544923 467.8000       70.33671 467.8000       70.33671 0.000000       0.000000 96.01121 7.544923 ?        ?        ?              ?        
1 1 1 -6  24 26 o 61.43921 9.365731 198.2000       54.54551 198.2000       54.54551 0.000000       0.000000 61.43921 9.365731 ?        ?        ?              ?        
1 1 1 -6  24 27 o 122.8008 5.090801 751.5725       61.05913 732.8000       87.23827 769.6000       85.48959 120.0237 7.462554 123.2191 7.118390 -3.195343      10.31316 
1 1 1 -6  24 28 o 110.6070 7.171437 622.2000       77.22312 0.000000       0.000000 622.2000       77.22312 ?        ?        110.6070 7.171437 ?              ?        
1 1 1 -6  24 29 o 50.74723 7.379344 133.4745       35.58198 85.79000       52.63708 173.6000       48.28516 39.42331 12.30365 57.34930 8.889080 -17.92599      15.17879 
1 1 1 -6  24 30 f 62.69239 6.245582 200.0217       37.81670 167.7000       55.41205 228.2000       51.73853 55.41205 10.60244 66.15114 8.163439 -10.73909      13.38109 
1 1 1 -6  24 31 o 98.67513 5.161258 488.2072       49.67719 442.6000       71.61739 530.5000       68.96592 92.40709 7.996462 101.8953 6.956434 -9.488235      10.59884 
1 1 1 -6  24 32 o 85.86372 5.330772 371.2567       44.58192 284.1000       62.52395 461.4000       63.58618 73.22755 8.905908 94.89082 6.892926 -21.66327      11.26178 
1 1 1 -6  24 33 o 31.58270 9.633862 53.95457       32.49219 50.08000       48.88919 57.02000       43.48576 31.95064 11.81112 32.80753 11.24120 -0.8568935     16.30544 
1 1 1 -6  24 34 o 65.82166 6.011161 221.6490       38.30175 210.7000       57.28699 230.5000       51.50664 62.07431 9.749372 65.98190 8.147947 -3.907589      12.70588 
1 1 1 -6  24 35 f 62.99263 6.171466 204.3907       37.56483 108.3000       53.10833 300.6000       53.14108 42.75110 12.13120 75.82308 7.248284 -33.07198      14.13166 
1 1 1 -6  24 36 o 38.00304 9.023721 80.67191       33.06350 119.5000       49.54244 49.49000       44.39722 45.10278 11.25795 30.74315 11.27418 14.35963       15.93263 
1 1 1 -6  24 37 f 48.76768 7.414485 127.4929       34.27996 123.8000       51.16888 130.5000       46.17344 45.44287 11.49677 47.60404 10.21515 -2.161171      15.37937 
1 1 1 -6  24 38 o 18.00865 8.073322 -7.475973      29.43522 -8.774000      43.52557 -6.382000      39.95821 21.63506 9.748201 21.05332 9.424705 0.5817432      13.55922 
1 1 1 -6  24 39 o 69.44968 8.349311 264.2000       55.62109 264.2000       55.62109 0.000000       0.000000 69.44968 8.349311 ?        ?        ?              ?        
1 1 1 -6  24 40 o 32.77224 9.447945 62.18713       31.96601 55.24000       46.25185 68.54000       44.22946 31.23793 11.49857 33.79740 11.33924 -2.559467      16.14917 
1 1 1 -6  24 41 o 43.09695 10.96291 113.0000       46.34872 0.000000       0.000000 113.0000       46.34872 ?        ?        43.09695 10.96291 ?              ?        
1 1 1 -6  24 42 o 79.08466 5.503115 323.9442       42.33400 329.6000       62.32645 319.1000       57.68161 77.06712 8.397918 76.40758 7.822804 0.6595459      11.47699 
1 1 1 -6  24 43 o 35.14396 9.274347 72.65593       32.36263 40.99000       47.74989 99.56000       44.01344 28.45526 11.36174 40.04633 10.92671 -11.59107      15.76332 
1 1 1 -6  24 44 o 27.10571 9.478241 41.43768       30.98222 15.80000       45.71883 63.21000       42.13162 24.41343 10.52547 32.04023 11.06153 -7.626799      15.26901 
1 1 1 -6  24 45 f 36.57497 9.129498 79.47542       32.57972 150.1000       48.88021 23.02000       43.70267 49.48537 10.42120 24.91753 10.50027 24.56784       14.79381 
1 1 1 -6  24 46 o 17.30497 7.911041 -10.85124      29.96721 37.73000       43.97005 -52.99000      40.95091 27.06600 10.87013 16.52948 8.029322 10.53652       13.51406 
1 1 1 -6  24 47 o 39.20269 8.810414 90.28358       32.98236 56.63000       46.65699 123.9000       46.63122 30.43479 11.48018 44.27486 10.84690 -13.84007      15.79398 
1 1 1 -6  24 48 o 34.76150 9.245237 72.93824       32.00101 88.47000       46.23888 58.66000       44.33374 36.49508 11.55151 30.64190 11.26128 5.853184       16.13238 
1 1 1 -6  24 49 o 28.64730 11.27893 47.38000       46.43870 47.38000       46.43870 0.000000       0.000000 28.64730 11.27893 ?        ?        ?              ?        
1 1 1 -6  24 50 o 23.87431 9.429846 27.53520       32.55333 50.57000       47.66470 7.398000       44.56607 29.17118 11.44445 22.75383 10.08360 6.417341       15.25301 
1 1 1 -6  24 51 o 42.38000 8.652802 105.8727       34.67872 43.38000       49.05596 168.3000       49.03028 27.96705 11.39105 52.39569 9.923315 -24.42864      15.10723 
1 1 1 -6  24 52 o 40.61720 11.75289 113.3000       49.38084 113.3000       49.38084 0.000000       0.000000 40.61720 11.75289 ?        ?        ?              ?        
1 1 1 -6  24 53 o 14.82515 7.090843 -29.36412      29.11009 -0.2000000     41.42326 -57.82000      40.91719 20.95615 9.469831 15.95546 7.810368 5.000691       12.27516 
1 1 1 -6  24 54 f 15.53794 7.336651 -21.56870      29.22571 -28.93000      40.40341 -13.49000      42.32639 17.78757 8.464849 19.57329 9.107919 -1.785727      12.43414 
1 1 1 -6  25 1  o 303.2365 5.947216 4527.672       176.5231 4958.000       376.9116 4406.761       199.7889 314.0095 12.28654 298.8722 6.829353 15.13727       14.05699 
1 1 1 -6  25 2  o 215.6435 4.506131 2283.875       95.11444 2495.000       202.7131 2224.272       107.7066 223.9449 9.267740 212.6927 5.173491 11.25226       10.61395 
1 1 1 -6  25 3  o 109.7676 3.315015 591.3586       35.57689 647.3000       79.48069 577.3418       39.78514 114.2796 7.141058 108.4142 3.754781 5.865448       8.068029 
1 1 1 -6  25 4  o 140.5992 4.165500 971.2896       57.26341 987.0000       102.5744 964.1765       69.01997 141.1290 7.451746 139.9547 5.046528 1.174347       8.999776 
1 1 1 -6  25 5  o 226.5755 4.670795 2522.298       103.5881 2732.000       220.1797 2462.688       117.3915 234.1424 9.627611 223.7441 5.360175 10.39827       11.01918 
1 1 1 -6  25 6  o 155.6789 5.375755 1193.794       81.79433 1288.000       120.7847 1114.000       111.1627 161.1837 7.677768 149.8954 7.601247 11.28833       10.80403 
1 1 1 -6  25 7  o 144.3654 4.967887 1025.916       70.09604 983.1000       103.6511 1062.000       95.15454 140.7842 7.549268 146.5542 6.650561 -5.769943      10.06088 
1 1 1 -6  25 8  o 83.06075 4.166192 339.6249       33.76390 416.9000       65.48962 311.6488       39.40454 91.52903 7.372146 79.43896 5.094502 12.09007       8.961165 
1 1 1 -6  25 9  o 125.5141 3.362843 773.3058       41.27753 857.8000       92.77570 752.4520       46.09071 131.5108 7.235077 123.7566 3.809396 7.754173       8.176664 
1 1 1 -6  25 10 o 217.3548 6.461117 2334.272       137.3096 0.000000       0.000000 2334.272       137.3096 ?        ?        217.3548 6.461117 ?              ?        
1 1 1 -6  25 11 o 106.8468 4.801826 562.6595       50.09140 0.000000       0.000000 562.6595       50.09140 ?        ?        106.8468 4.801826 ?              ?        
1 1 1 -6  25 12 o 37.83041 4.983942 71.63753       18.00677 87.33000       50.65237 69.36745       19.26523 41.10127 11.90631 37.13241 5.463664 3.968864       13.10007 
1 1 1 -6  25 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  25 14 o 63.82902 3.743433 200.8114       23.28540 171.3000       54.27177 207.4697       25.77873 57.64688 9.979355 64.83954 4.082493 -7.192661      10.78213 
1 1 1 -6  25 15 o 136.6987 3.432073 918.1440       45.88634 1006.000       101.3412 895.4867       51.46420 142.1284 7.309032 134.9230 3.900940 7.205429       8.284883 
1 1 1 -6  25 16 o 111.1588 3.999237 608.4393       43.44292 604.1000       79.79090 610.2676       51.79254 109.9375 7.459002 111.1833 4.770160 -1.245827      8.853877 
1 1 1 -6  25 17 o 119.8819 3.989408 707.8333       46.74799 718.9000       86.62126 703.2854       55.52885 119.8978 7.417175 119.3358 4.763379 0.5620193      8.815001 
1 1 1 -6  25 18 o 47.60777 3.748317 112.1623       17.32629 206.6000       53.31338 101.0101       18.32079 63.54471 8.807905 45.09687 4.198652 18.44784       9.757452 
1 1 1 -6  25 19 o 159.2272 3.677972 1247.390       57.32339 1225.000       120.3317 1253.963       65.19648 156.1296 7.899545 159.4702 4.180355 -3.340576      8.937459 
1 1 1 -6  25 20 o 124.2392 3.968307 761.2238       48.19619 718.9000       87.47888 779.6700       57.75177 119.5589 7.513049 125.5433 4.707992 -5.984360      8.866290 
1 1 1 -6  25 21 o 96.93201 5.108536 466.6228       48.29853 406.8000       68.09144 527.2000       68.51945 89.59379 7.843433 102.4628 6.871630 -12.86897      10.42779 
1 1 1 -6  25 22 o 31.94579 9.574863 53.01204       32.29497 58.79000       48.21392 48.31000       43.49388 34.49950 11.83607 31.91737 11.22487 2.582129       16.31227 
1 1 1 -6  25 23 o 97.32670 5.090415 471.3388       48.32581 413.5000       67.81913 531.0000       68.87923 90.15616 7.760571 102.6325 6.896452 -12.47630      10.38208 
1 1 1 -6  25 24 o 41.93073 11.83702 96.12000       50.69698 96.12000       50.69698 0.000000       0.000000 41.93073 11.83702 ?        ?        ?              ?        
1 1 1 -6  25 25 o 134.3973 5.189898 900.4441       68.14571 905.8000       97.35970 895.3000       95.41490 133.4971 7.480696 132.7912 7.369659 0.7058411      10.50108 
1 1 1 -6  25 26 f 32.61109 9.527976 56.56282       32.31348 1.198000       46.24146 109.4000       45.17357 24.45297 10.56419 44.82802 10.48325 -20.37505      14.88289 
1 1 1 -6  25 27 o 60.69152 9.009436 194.2000       51.90005 0.000000       0.000000 194.2000       51.90005 ?        ?        60.69152 9.009436 ?              ?        
1 1 1 -6  25 28 o 42.86355 8.556304 97.83169       34.64068 112.1000       50.57250 85.22000       47.54609 44.82055 11.47837 39.22852 11.58368 5.592030       16.30750 
1 1 1 -6  25 29 o 73.25863 5.718898 271.1057       40.68409 273.3000       59.67524 269.2000       55.61146 72.17411 8.617120 71.93455 8.035135 0.2395630      11.78211 
1 1 1 -6  25 30 o 38.62117 9.013866 80.83916       33.45142 57.37000       50.30771 99.44000       44.78701 33.58639 12.04562 42.24160 10.79340 -8.655212      16.17388 
1 1 1 -6  25 31 o 83.95781 5.282258 355.0722       43.18970 370.2000       63.56633 342.1000       58.86334 84.36501 7.785426 81.25827 7.484715 3.106743       10.79971 
1 1 1 -6  25 32 o 61.38198 6.269256 193.1743       37.13881 134.1000       52.92121 250.5000       52.13211 48.58317 11.33659 69.14506 7.840864 -20.56189      13.78396 
1 1 1 -6  25 33 o 101.5478 5.046801 519.7958       50.00691 563.5000       74.13029 483.3000       67.74163 104.1033 7.321556 96.45136 7.227886 7.651939       10.28822 
1 1 1 -6  25 34 o 39.84688 8.743697 87.47491       33.16465 37.14000       47.38704 135.8000       46.43135 29.05877 11.40786 49.17066 9.988345 -20.11189      15.16266 
1 1 1 -6  25 35 o 80.86829 5.435039 333.8177       42.77182 282.6000       60.01058 386.7000       60.97801 72.13816 8.672497 85.65094 7.344177 -13.51278      11.36438 
1 1 1 -6  25 36 o 21.90935 8.927299 15.10135       30.14478 25.18000       45.14827 6.994000       40.49297 26.44814 10.86803 22.94201 9.898468 3.506132       14.70013 
1 1 1 -6  25 37 o 43.82449 7.774809 104.7334       32.13004 166.8000       47.81112 53.62000       43.38773 54.46534 9.301871 31.04285 11.17991 23.42250       14.54356 
1 1 1 -6  25 38 o 27.41061 10.91999 33.86000       44.01045 33.86000       44.01045 0.000000       0.000000 27.41061 10.91999 ?        ?        ?              ?        
1 1 1 -6  25 39 o 34.08370 9.472613 67.53057       32.73675 95.30000       47.59648 42.60000       45.09801 39.20005 11.59357 28.88212 11.18860 10.31793       16.11197 
1 1 1 -6  25 40 o 39.64539 11.37147 97.51000       46.41879 0.000000       0.000000 97.51000       46.41879 ?        ?        39.64539 11.37147 ?              ?        
1 1 1 -6  25 41 o 25.86519 9.561457 34.77093       32.03886 68.20000       47.93270 7.774000       43.07516 33.32109 11.77809 23.13596 10.09366 10.18513       15.51146 
1 1 1 -6  25 42 o 34.66132 9.225387 70.68544       31.84902 63.88000       47.87115 76.09000       42.66048 32.32015 11.72923 34.92699 11.10043 -2.606834      16.14913 
1 1 1 -6  25 43 o 18.57645 8.274428 -3.026926      30.39654 18.93000       45.69095 -20.46000      40.71284 24.79705 10.60350 19.25022 8.949122 5.546833       13.87520 
1 1 1 -6  25 44 o 23.70886 9.282969 26.59039       31.30774 50.68000       47.04416 7.440000       41.94495 29.50618 11.42825 22.49836 9.883992 7.007816       15.10954 
1 1 1 -6  25 45 o 36.65152 9.098249 80.24959       32.48803 44.94000       46.57904 113.7000       45.33618 28.39524 11.25945 42.22087 10.89673 -13.82562      15.66889 
1 1 1 -6  25 46 o 28.58322 9.583711 48.55380       31.59493 38.05000       45.24565 58.55000       44.13886 27.22254 10.99366 30.71418 11.24494 -3.491642      15.72607 
1 1 1 -6  25 47 o 35.43901 9.239041 75.87266       32.37245 100.2000       47.21465 54.29000       44.47152 38.78430 11.56606 29.79094 11.21445 8.993361       16.11017 
1 1 1 -6  25 48 o 34.67360 11.67669 80.66000       46.89851 80.66000       46.89851 0.000000       0.000000 34.67360 11.67669 ?        ?        ?              ?        
1 1 1 -6  25 49 o 34.92977 9.657930 75.35068       34.12681 6.207000       49.49755 138.0000       47.11570 23.41823 10.48600 46.82375 10.53552 -23.40551      14.86450 
1 1 1 -6  25 50 o 18.53540 8.299214 -2.470855      31.00138 -22.27000      44.53690 16.14000       43.17973 19.60328 9.193788 23.48274 10.17668 -3.879461      13.71461 
1 1 1 -6  25 51 o 44.70248 7.973937 115.0056       33.61084 158.9000       48.71902 75.14000       46.42940 50.42604 10.22086 33.26685 11.60495 17.15919       15.46418 
1 1 1 -6  25 52 o 14.15036 6.848366 -36.92004      29.08661 -37.12000      41.13005 -36.72000      41.13930 17.44837 8.367652 17.48137 8.379536 -0.3299522E-01 11.84205 
1 1 1 -6  25 53 o 16.77248 8.146045 -48.05000      42.10495 -48.05000      42.10495 0.000000       0.000000 16.77248 8.146045 ?        ?        ?              ?        
1 1 1 -6  26 1  o 63.34555 3.732023 197.6286       23.03765 155.0000       53.42606 207.3653       25.53346 54.82842 10.33393 64.85810 4.042066 -10.02968      11.09633 
1 1 1 -6  26 2  o 221.2566 4.606291 2406.497       99.75940 2452.000       204.1518 2392.223       114.3403 221.5965 9.433635 220.4426 5.299045 1.153931       10.82004 
1 1 1 -6  26 3  o 123.3590 3.386452 747.1199       40.85178 787.5000       88.63445 736.2281       46.03271 125.9596 7.219177 122.3996 3.846979 3.559998       8.180205 
1 1 1 -6  26 4  f 159.6276 3.718505 1250.761       58.10085 1392.000       126.2710 1212.827       65.43976 167.4115 7.726535 157.0588 4.260637 10.35269       8.823400 
1 1 1 -6  26 5  o 109.6682 5.024538 593.0841       53.79320 561.3000       75.30636 626.2000       76.86783 106.2383 7.285872 112.2984 7.028260 -6.060097      10.12326 
1 1 1 -6  26 6  o 171.9270 4.484685 1454.128       75.40692 1623.000       142.2059 1388.070       88.94094 180.6251 8.063608 167.7736 5.423041 12.85155       9.717568 
1 1 1 -6  26 7  o 63.20631 3.489717 196.6627       21.50642 254.4000       56.87368 187.0292       23.23142 71.06963 8.333751 61.59158 3.873045 9.478046       9.189771 
1 1 1 -6  26 8  o 135.5937 3.932403 903.9007       52.13686 0.000000       0.000000 903.9007       52.13686 ?        ?        135.5937 3.932403 ?              ?        
1 1 1 -6  26 9  o 66.03334 3.735675 214.8270       24.04715 0.000000       0.000000 214.8270       24.04715 ?        ?        66.03334 3.735675 ?              ?        
1 1 1 -6  26 10 o 130.8460 4.083136 842.3815       52.23104 1042.000       102.4837 772.3381       60.70690 144.7430 7.256689 125.1212 4.966664 19.62186       8.793593 
1 1 1 -6  26 11 o 57.46260 5.134107 164.0396       28.57340 193.6000       54.85611 153.0332       33.47279 61.49720 9.411985 55.27222 6.299282 6.224972       11.32548 
1 1 1 -6  26 12 o 124.9124 3.382135 766.7130       41.31453 689.3000       86.33282 789.7072       47.05203 117.4853 7.547266 126.7071 3.798060 -9.221817      8.449052 
1 1 1 -6  26 13 o 77.36966 3.612925 294.7749       27.28568 0.000000       0.000000 294.7749       27.28568 ?        ?        77.36966 3.612925 ?              ?        
1 1 1 -6  26 14 o 92.72989 4.164420 424.0816       37.70257 503.6000       68.90436 390.1000       45.04382 100.3826 7.057627 88.73446 5.208960 11.64812       8.771736 
1 1 1 -6  26 15 o 40.06326 3.977947 79.75505       15.39371 67.47000       47.77420 81.17831       16.26098 36.52908 11.76135 40.39242 4.172833 -3.863338      12.47966 
1 1 1 -6  26 16 o 151.1993 4.282131 1127.558       63.31088 1071.000       109.6156 1155.869       77.55454 146.1041 7.691952 152.8113 5.192503 -6.707245      9.280529 
1 1 1 -6  26 17 o 63.20180 6.084584 200.1909       37.17683 166.9000       55.10604 228.0000       50.36517 56.38905 10.36572 67.00177 7.826861 -10.61272      12.98876 
1 1 1 -6  26 18 o 137.3407 3.427114 927.9157       46.07166 954.1000       100.6698 920.9786       51.81646 137.7466 7.494646 136.6745 3.877156 1.072113       8.438131 
1 1 1 -6  26 19 o 66.43641 4.445486 218.9821       28.74254 187.6000       55.44911 230.5126       33.61059 59.89650 9.796044 68.03168 5.084060 -8.135181      11.03676 
1 1 1 -6  26 20 o 116.3748 3.900845 668.6338       44.37208 515.8000       77.07214 744.4067       54.26808 100.8195 7.872291 122.6160 4.529375 -21.79646      9.082301 
1 1 1 -6  26 21 o 51.79882 7.157400 137.3076       35.32077 154.2000       51.67944 122.5000       48.38533 53.86832 10.17397 47.73382 10.62877 6.134499       14.71327 
1 1 1 -6  26 22 o 79.92037 5.426177 319.4881       42.19633 364.9000       62.25693 280.9000       57.38910 84.59253 7.599731 73.95118 8.058476 10.64135       11.07678 
1 1 1 -6  26 23 o 106.0718 7.372779 572.2000       76.07221 572.2000       76.07221 0.000000       0.000000 106.0718 7.372779 ?        ?        ?              ?        
1 1 1 -6  26 24 o 56.36101 6.635610 162.0693       35.90645 103.3000       50.44978 222.4000       51.11554 43.22769 11.65807 65.52618 8.144803 -22.29848      14.22141 
1 1 1 -6  26 25 o 60.17348 9.035310 190.9000       51.57525 0.000000       0.000000 190.9000       51.57525 ?        ?        60.17348 9.035310 ?              ?        
1 1 1 -6  26 26 o 85.45738 7.564602 375.5000       62.62355 0.000000       0.000000 375.5000       62.62355 ?        ?        85.45738 7.564602 ?              ?        
1 1 1 -6  26 27 o 44.95778 8.256204 107.0992       34.99371 106.0000       50.68941 108.1000       48.36924 43.42616 11.67450 44.01358 11.20106 -0.5874214     16.17892 
1 1 1 -6  26 28 o 62.28032 6.436327 198.2590       38.67228 191.7000       56.34664 204.1000       53.17297 59.51496 10.02856 61.98671 9.028791 -2.471748      13.49411 
1 1 1 -6  26 29 o 29.49577 9.791498 45.21568       32.99410 34.08000       48.83161 54.57000       44.75577 29.33885 11.56138 32.49528 11.38979 -3.156425      16.22938 
1 1 1 -6  26 30 o 45.45536 8.114327 110.0530       34.77834 70.10000       50.91489 145.0000       47.61843 35.76632 12.16568 51.47108 9.809623 -15.70476      15.62794 
1 1 1 -6  26 31 o 38.81937 8.854488 82.38972       32.89761 80.39000       48.92523 84.04000       44.44525 37.56627 11.88129 38.43664 11.15842 -0.8703651     16.29955 
1 1 1 -6  26 32 o 77.52436 5.327424 304.8370       40.18032 363.1000       59.70323 256.6000       54.32402 83.33323 7.396104 69.49158 8.140567 13.84165       10.99869 
1 1 1 -6  26 33 o 25.96239 9.424236 32.94732       30.90738 -3.853000      45.68349 64.01000       41.97135 22.96055 10.19040 33.62001 11.03854 -10.65946      15.02310 
1 1 1 -6  26 34 o 38.04997 8.853748 81.04236       32.35323 55.47000       47.09331 103.9000       44.52353 31.86405 11.62315 42.09204 10.76501 -10.22800      15.84244 
1 1 1 -6  26 35 o 64.22031 5.881418 213.5250       36.56089 153.5000       51.91236 272.6000       51.49991 51.24803 10.69496 71.47923 7.470917 -20.23120      13.04595 
1 1 1 -6  26 36 o 47.02117 10.73057 130.9000       48.29508 130.9000       48.29508 0.000000       0.000000 47.02117 10.73057 ?        ?        ?              ?        
1 1 1 -6  26 37 o 39.84417 11.39560 97.40000       46.68093 97.40000       46.68093 0.000000       0.000000 39.84417 11.39560 ?        ?        ?              ?        
1 1 1 -6  26 38 f 59.39623 6.324979 185.8102       36.20763 221.4000       54.61423 157.9000       48.36419 62.60889 9.184726 52.23659 9.819330 10.37230       13.44539 
1 1 1 -6  26 39 f 34.59303 11.32048 73.43000       44.15845 0.000000       0.000000 73.43000       44.15845 ?        ?        34.59303 11.32048 ?              ?        
1 1 1 -6  26 40 o 36.02713 9.229499 75.93496       32.68964 144.5000       49.71490 23.71000       43.38846 48.85715 10.69320 25.36283 10.55927 23.49432       15.02806 
1 1 1 -6  26 41 o 51.61764 7.053038 144.6303       34.70422 132.7000       50.89235 155.0000       47.44694 45.92208 11.38023 51.25902 9.813823 -5.336937      15.02734 
1 1 1 -6  26 42 o 29.80493 9.577764 52.63821       31.69217 47.31000       47.32678 56.97000       42.67268 29.15825 11.41434 30.70435 11.08356 -1.546093      15.91014 
1 1 1 -6  26 43 o 24.41773 9.310406 30.39149       30.88653 22.62000       45.61749 36.97000       41.97038 25.06375 10.65226 26.80706 10.66904 -1.743315      15.07644 
1 1 1 -6  26 44 o 32.46356 9.498010 64.17325       32.09116 30.48000       46.25205 95.45000       44.56258 26.12776 10.89187 38.25677 11.19231 -12.12900      15.61732 
1 1 1 -6  26 45 o 24.36560 9.338210 30.28844       31.17562 -16.31000      44.56698 74.94000       43.62604 20.34319 9.424760 33.96315 11.25859 -13.61996      14.68271 
1 1 1 -6  26 46 o 16.86029 7.762843 -13.01103      29.56151 -7.458000      42.81484 -18.07000      40.86581 20.77685 9.482126 19.27578 8.962673 1.501076       13.04761 
1 1 1 -6  26 47 o 29.57263 11.33887 53.55000       45.97878 53.55000       45.97878 0.000000       0.000000 29.57263 11.33887 ?        ?        ?              ?        
1 1 1 -6  26 48 o 27.30629 10.93867 40.66000       44.40764 0.000000       0.000000 40.66000       44.40764 ?        ?        27.30629 10.93867 ?              ?        
1 1 1 -6  26 49 o 15.14256 7.260342 -32.90534      30.92863 -64.44000      43.94815 -1.962000      43.53416 16.39946 8.041541 21.35581 9.673605 -4.956352      12.57955 
1 1 1 -6  26 50 o 26.72826 9.410770 42.25085       30.57776 26.92000       42.96885 57.98000       43.52345 24.88252 10.44417 30.09587 11.14075 -5.213354      15.27079 
1 1 1 -6  26 51 o 27.47758 9.460547 46.13813       30.81102 22.52000       43.21337 70.56000       43.94250 24.07806 10.30441 32.21391 11.28623 -8.135847      15.28266 
1 1 1 -6  26 52 o 14.42043 6.945670 -32.85593      29.05469 -79.56000      41.18670 13.41000       40.99305 14.70858 7.315114 22.33094 9.792006 -7.622363      12.22270 
1 1 1 -6  26 53 o 19.97100 8.551880 11.60828       29.79684 42.95000       41.24975 -22.59000      43.08857 26.53946 10.57228 18.80109 8.886733 7.738367       13.81112 
1 1 1 -6  27 1  o 87.12392 3.322335 373.1072       28.28073 406.6000       63.71750 364.8905       31.55967 90.24195 7.275078 86.10607 3.753506 4.135880       8.186303 
1 1 1 -6  27 2  o 104.2417 3.273330 533.8409       33.35793 602.7000       75.22647 516.9869       37.21707 110.0422 7.020633 102.5250 3.714709 7.517204       7.942818 
1 1 1 -6  27 3  o 105.3912 3.287739 545.7025       33.87476 583.9000       74.58195 535.7745       38.02298 108.2836 7.075387 104.3697 3.727895 3.913887       7.997393 
1 1 1 -6  27 4  o 42.82623 5.176596 91.70025       21.26023 128.5000       49.89482 83.53661       23.50039 49.60255 10.59826 40.67585 6.089488 8.926708       12.22313 
1 1 1 -6  27 5  o 156.0682 4.280944 1199.010       65.33557 1180.000       115.6130 1207.931       79.19400 153.8344 7.702481 156.4390 5.178929 -2.604614      9.281676 
1 1 1 -6  27 6  o 141.4763 3.517540 983.0233       48.71121 1030.000       104.0724 969.8450       55.12180 143.7711 7.420442 140.3940 4.015273 3.377167       8.437142 
1 1 1 -6  27 7  o 100.3381 3.598298 495.2102       35.28299 0.000000       0.000000 495.2102       35.28299 ?        ?        100.3381 3.598298 ?              ?        
1 1 1 -6  27 8  o 74.84538 3.572544 275.8331       26.09716 0.000000       0.000000 275.8331       26.09716 ?        ?        74.84538 3.572544 ?              ?        
1 1 1 -6  27 9  o 102.7861 3.210378 519.2423       32.25998 579.9000       74.66664 505.3205       35.77097 107.7734 7.117822 101.3407 3.611898 6.432686       7.981804 
1 1 1 -6  27 10 o 36.41718 4.666247 66.41632       16.25167 66.65000       48.29826 66.38648       17.25801 36.45597 11.83308 36.35193 4.981019 0.1040421      12.83871 
1 1 1 -6  27 11 o 121.5628 4.014199 728.0618       47.69907 829.2000       89.98925 688.5435       56.25126 128.8313 7.164349 118.0258 4.879627 10.80550       8.668255 
1 1 1 -6  27 12 f 36.61202 7.429089 69.22895       25.71243 94.50000       49.30549 59.78920       30.13449 42.22028 11.58328 33.85390 8.956671 8.366375       14.64221 
1 1 1 -6  27 13 o 109.1478 3.277145 586.0100       34.97233 486.2000       74.17875 614.5358       39.65624 98.23477 7.777940 111.7114 3.631495 -13.47659      8.583944 
1 1 1 -6  27 14 o 149.1047 4.922074 1100.096       71.73813 0.000000       0.000000 1100.096       71.73813 ?        ?        149.1047 4.922074 ?              ?        
1 1 1 -6  27 15 o 115.4270 3.728116 656.6980       42.06618 768.6000       86.22316 621.7426       48.19057 123.7502 7.148652 112.1539 4.398295 11.59632       8.393344 
1 1 1 -6  27 16 o 119.9954 3.714512 709.9077       43.57618 656.5000       81.00555 731.6566       51.69285 114.1973 7.284890 121.6572 4.347959 -7.459862      8.483770 
1 1 1 -6  27 17 o 47.71060 3.613327 112.7515       16.74894 137.5000       48.14621 109.3442       17.86477 50.98362 10.00518 46.92910 3.925017 4.054527       10.74753 
1 1 1 -6  27 18 f 122.0329 4.026012 735.8235       48.02457 610.5000       81.57738 802.2925       59.41047 109.7752 7.639729 127.1865 4.780678 -17.41132      9.012232 
1 1 1 -6  27 19 o 93.10213 3.100557 426.9980       28.21625 454.8000       67.88562 421.1919       31.02298 94.68801 7.382790 92.39777 3.436157 2.290245       8.143265 
1 1 1 -6  27 20 o 48.78760 3.733438 118.1575       17.69346 151.0000       50.01177 113.4587       18.91688 53.21851 9.966894 47.73439 4.087985 5.484119       10.77268 
1 1 1 -6  27 21 o 52.63845 10.38579 149.2000       51.61042 149.2000       51.61042 0.000000       0.000000 52.63845 10.38579 ?        ?        ?              ?        
1 1 1 -6  27 22 o 100.6314 7.388691 516.5000       72.27181 516.5000       72.27181 0.000000       0.000000 100.6314 7.388691 ?        ?        ?              ?        
1 1 1 -6  27 23 o 42.40331 8.401096 95.26559       33.63592 75.83000       48.69578 113.0000       46.51582 37.39582 11.85663 45.42061 10.64878 -8.024784      15.93663 
1 1 1 -6  27 24 o 43.22793 11.14236 103.7000       47.44436 0.000000       0.000000 103.7000       47.44436 ?        ?        43.22793 11.14236 ?              ?        
1 1 1 -6  27 25 o 117.4680 7.344665 707.0000       84.02704 0.000000       0.000000 707.0000       84.02704 ?        ?        117.4680 7.344665 ?              ?        
1 1 1 -6  27 26 o 97.54383 5.225204 477.5542       49.70745 440.9000       70.69215 513.4000       69.90829 92.25095 7.904903 100.0603 7.185580 -7.809402      10.68270 
1 1 1 -6  27 27 o 65.66545 6.149240 219.7684       39.06458 183.5000       56.36168 253.3000       54.19341 57.92364 10.31922 69.56347 8.111012 -11.63983      13.12535 
1 1 1 -6  27 28 o 53.05391 7.188611 146.6127       36.37136 97.49000       53.14210 189.9000       49.88592 41.19437 12.26719 59.66370 8.806431 -18.46933      15.10090 
1 1 1 -6  27 29 o 52.22140 7.227278 142.5457       35.95359 87.56000       52.11063 192.5000       49.66928 39.08323 12.24859 60.02700 8.707352 -20.94378      15.02817 
1 1 1 -6  27 30 o 41.62351 8.452364 94.06016       33.25982 99.77000       50.06678 89.55000       44.49725 41.37422 11.79141 39.50887 11.06724 1.865353       16.17162 
1 1 1 -6  27 31 o 29.70755 9.464924 48.06831       30.99988 29.23000       45.27847 64.69000       42.53127 27.48711 11.03364 33.87908 11.11129 -6.391970      15.65893 
1 1 1 -6  27 32 o 40.67700 8.472456 91.08875       32.63676 65.25000       47.12764 114.9000       45.24087 33.86999 11.69874 44.60424 10.53185 -10.73425      15.74104 
1 1 1 -6  27 33 o 77.96795 5.449661 311.5052       41.32842 227.6000       57.99160 398.1000       58.91374 63.67832 9.602216 86.97693 6.978517 -23.29861      11.87023 
1 1 1 -6  27 34 o 32.05715 9.316755 58.56138       30.96929 30.67000       45.24400 83.15000       42.48084 27.20718 10.99132 37.33861 10.92888 -10.13143      15.49999 
1 1 1 -6  27 35 o 35.10828 11.43984 74.40000       45.11789 74.40000       45.11789 0.000000       0.000000 35.10828 11.43984 ?        ?        ?              ?        
1 1 1 -6  27 36 o 35.39252 9.089736 72.06035       31.65238 29.46000       44.15298 117.1000       45.39949 26.62420 10.82069 44.26610 10.61511 -17.64190      15.15809 
1 1 1 -6  27 37 o 46.68117 10.36127 129.4000       46.10763 0.000000       0.000000 129.4000       46.10763 ?        ?        46.68117 10.36127 ?              ?        
1 1 1 -6  27 38 o 33.63006 11.20076 69.09000       43.16713 0.000000       0.000000 69.09000       43.16713 ?        ?        33.63006 11.20076 ?              ?        
1 1 1 -6  27 39 o 23.66476 9.406107 24.00643       32.58083 -57.10000      48.76558 89.40000       43.78781 18.39907 8.895610 37.82673 11.10231 -19.42766      14.22650 
1 1 1 -6  27 40 o 29.02999 9.667531 49.09923       32.15820 20.83000       48.52983 71.23000       42.93882 25.55817 10.92843 33.77303 11.16860 -8.214863      15.62588 
1 1 1 -6  27 41 f 26.34470 9.546041 38.37529       31.69281 66.77000       47.92081 16.30000       42.25311 32.49744 11.74341 23.80800 10.18907 8.689436       15.54750 
1 1 1 -6  27 42 o 40.10192 8.654475 93.86027       32.97366 69.62000       48.55963 114.6000       44.91674 32.75266 11.82333 42.57103 10.77223 -9.818371      15.99475 
1 1 1 -6  27 43 o 24.88869 9.373272 33.01643       31.07537 36.33000       45.62889 30.15000       42.43873 26.87982 10.97173 25.59809 10.52972 1.281729       15.20704 
1 1 1 -6  27 44 o 24.62008 9.319293 31.80084       30.80759 11.99000       44.05510 50.76000       43.09771 23.31395 10.18884 29.15788 11.02579 -5.843929      15.01267 
1 1 1 -6  27 45 o 35.09806 9.406843 75.24993       32.97159 138.5000       48.29667 20.04000       45.12271 46.65517 10.79073 24.41068 10.48965 22.24450       15.04901 
1 1 1 -6  27 46 o 26.18010 9.617516 39.03202       32.33045 63.13000       45.68241 14.85000       45.76200 31.23558 11.43922 23.78898 10.39064 7.446602       15.45384 
1 1 1 -6  27 47 o 20.68834 9.464387 -7.856000      42.98972 0.000000       0.000000 -7.856000      42.98972 ?        ?        20.68834 9.464387 ?              ?        
1 1 1 -6  27 48 o 43.98570 8.321250 112.8587       34.51475 116.7000       48.75595 109.0000       48.86669 41.50647 11.56941 39.85209 11.73706 1.654381       16.48059 
1 1 1 -6  27 49 o 33.89912 9.237437 70.65238       31.48023 95.47000       45.13832 47.15000       43.92596 37.58081 11.33243 28.12692 11.00070 9.453890       15.79365 
1 1 1 -6  27 50 o 33.64808 9.202415 70.28754       31.17611 96.72000       43.86640 43.31000       44.31639 37.74193 11.12162 27.25508 10.92427 10.48685       15.58942 
1 1 1 -6  27 51 o 18.42216 8.186454 1.159475       29.57600 61.01000       41.78172 -58.95000      41.87201 30.09261 10.95244 16.01696 7.853016 14.07566       13.47686 
1 1 1 -6  27 52 o 17.47983 7.932348 -4.863039      29.43458 -36.96000      40.98097 29.34000       42.30412 17.21173 8.279614 24.50705 10.32929 -7.295317      13.23806 
1 1 1 -6  28 1  o 142.3472 3.556839 995.8753       49.55864 995.8000       102.3430 995.8984       56.64265 141.1611 7.433106 142.1984 4.073715 -1.037292      8.476214 
1 1 1 -6  28 2  o 128.2449 3.414526 808.6459       42.82431 871.2000       92.47305 791.5678       48.31776 132.0963 7.178825 126.7940 3.897785 5.302322       8.168736 
1 1 1 -6  28 3  o 161.6364 4.366850 1287.865       69.02647 1578.000       135.9310 1187.053       80.12621 177.5547 7.840655 154.9155 5.291899 22.63922       9.459391 
1 1 1 -6  28 4  o 116.7994 3.322124 670.7471       37.94211 806.6000       86.32852 638.2219       42.24057 127.1355 6.963748 113.8496 3.795770 13.28590       7.931056 
1 1 1 -6  28 5  o 65.31018 3.481899 210.2345       22.17843 225.8000       53.91156 207.0635       24.33282 66.59789 8.460905 64.76263 3.855959 1.835258       9.298137 
1 1 1 -6  28 6  o 77.50457 3.652255 296.0470       27.62939 0.000000       0.000000 296.0470       27.62939 ?        ?        77.50457 3.652255 ?              ?        
1 1 1 -6  28 7  o 64.65969 3.796049 206.4102       23.91977 0.000000       0.000000 206.4102       23.91977 ?        ?        64.65969 3.796049 ?              ?        
1 1 1 -6  28 8  o 40.24313 4.419075 80.79551       17.12118 224.7000       52.01802 63.31190       18.13143 66.44806 8.169450 35.37651 5.407579 31.07155       9.797031 
1 1 1 -6  28 9  o 134.1899 3.433216 886.0217       45.05786 910.9000       96.64341 879.1120       50.93213 134.7847 7.353148 133.5617 3.900040 1.223053       8.323407 
1 1 1 -6  28 10 o 24.88343 6.011737 31.97135       14.47731 22.48000       45.98301 33.01570       15.25301 27.85228 11.13995 25.27709 6.210240 2.575191       12.75404 
1 1 1 -6  28 11 f 24.18063 6.340866 30.17222       15.18985 131.0000       48.72421 19.31794       15.98656 49.76242 10.34118 20.27597 6.817328 29.48645       12.38612 
1 1 1 -6  28 12 o 32.80346 7.864120 56.23918       24.92287 40.37000       47.34687 62.32167       29.31262 31.04294 11.59506 34.44132 8.695119 -3.398378      14.49312 
1 1 1 -6  28 13 o 75.80214 4.276680 284.5605       31.60308 304.6000       59.81450 276.8000       37.22276 77.33152 8.018352 74.56522 5.131235 2.766296       9.519639 
1 1 1 -6  28 14 o 99.57248 3.221923 488.2638       31.36091 488.9000       71.71741 488.1134       34.87167 98.30602 7.509972 99.48345 3.586965 -1.177437      8.322619 
1 1 1 -6  28 15 o 40.38542 4.506040 81.64186       17.50941 66.92000       49.14054 83.78273       18.73934 36.09613 11.94839 40.86295 4.775009 -4.766819      12.86719 
1 1 1 -6  28 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  28 17 o 120.3357 4.922652 720.1682       57.86045 604.7000       79.83882 847.9000       83.97160 109.0832 7.523476 129.7632 6.633123 -20.68002      10.03001 
1 1 1 -6  28 18 f 113.2911 3.241841 632.8887       35.91262 621.8000       78.20031 635.8523       40.42789 110.6511 7.260263 113.4443 3.645493 -2.793251      8.124103 
1 1 1 -6  28 19 o 55.29518 3.518810 151.4682       18.94655 176.3000       52.66654 147.7768       20.30603 57.60682 9.683344 54.55419 3.826965 3.052631       10.41215 
1 1 1 -6  28 20 o 102.8753 3.512585 523.0292       35.31886 546.2000       73.59207 516.0951       40.25822 103.4938 7.311646 102.0313 4.039000 1.462463       8.353065 
1 1 1 -6  28 21 o 58.87160 9.547421 184.6000       53.13426 184.6000       53.13426 0.000000       0.000000 58.87160 9.547421 ?        ?        ?              ?        
1 1 1 -6  28 22 o 82.28868 5.343555 340.0621       42.80767 350.6000       61.56756 330.2000       59.56070 82.44497 7.718996 80.00193 7.700977 2.443039       10.90357 
1 1 1 -6  28 23 o 69.27268 8.227942 250.6000       54.70182 0.000000       0.000000 250.6000       54.70182 ?        ?        69.27268 8.227942 ?              ?        
1 1 1 -6  28 24 o 56.51781 6.877420 164.6231       37.26438 112.3000       53.26034 214.8000       52.15657 44.47828 11.97107 63.84789 8.561129 -19.36961      14.71732 
1 1 1 -6  28 25 o 131.2189 5.268180 864.6135       67.52734 836.8000       95.78180 892.1000       95.21686 127.2518 7.726167 131.6721 7.417771 -4.420357      10.71060 
1 1 1 -6  28 26 o 26.05313 9.717090 30.18673       33.22787 24.57000       49.51022 34.79000       44.82146 27.92144 11.41668 28.76658 11.15139 -0.8451462     15.95914 
1 1 1 -6  28 27 o 57.01871 6.809957 168.3429       37.25683 167.7000       54.68107 168.9000       50.90010 54.93570 10.55238 55.63622 9.699048 -0.7005272     14.33263 
1 1 1 -6  28 28 o 65.03354 6.106644 216.8567       38.41801 178.0000       55.50179 252.6000       53.23183 56.49958 10.41967 69.14960 8.012711 -12.65002      13.14432 
1 1 1 -6  28 29 o 15.54124 7.323565 -27.61731      28.85763 -41.91000      42.82562 -15.73000      39.05606 18.55482 8.796678 20.02620 9.107278 -1.471384      12.66191 
1 1 1 -6  28 30 o 75.23370 5.409000 288.5835       39.56647 270.7000       57.19185 305.0000       54.79590 70.90643 8.403471 76.01971 7.459993 -5.113281      11.23698 
1 1 1 -6  28 31 o 58.47955 6.287261 178.1655       35.42454 129.6000       49.68003 228.4000       50.52642 46.93588 11.00567 65.06065 8.109608 -18.12476      13.67079 
1 1 1 -6  28 32 o 51.33607 7.037300 140.3839       34.43210 96.37000       49.48287 181.7000       47.94235 39.67182 11.84300 57.26695 8.836821 -17.59513      14.77653 
1 1 1 -6  28 33 o 48.28511 7.153631 125.0762       32.78878 105.1000       46.94711 144.1000       45.81430 41.64348 11.25266 50.19772 9.674969 -8.554245      14.84006 
1 1 1 -6  28 34 o 19.12905 8.926403 -25.89000      41.11642 -25.89000      41.11642 0.000000       0.000000 19.12905 8.926403 ?        ?        ?              ?        
1 1 1 -6  28 35 o 31.61514 9.346043 57.86319       30.93690 49.90000       43.84323 65.76000       43.66011 30.00475 11.16753 33.10505 11.26557 -3.100298      15.86275 
1 1 1 -6  28 36 o 26.50508 10.64379 31.29000       42.15350 0.000000       0.000000 31.29000       42.15350 ?        ?        26.50508 10.64379 ?              ?        
1 1 1 -6  28 37 o 35.06030 9.119346 71.77977       31.58717 33.45000       45.28468 108.1000       44.08162 27.08016 10.97591 42.03609 10.69055 -14.95593      15.32183 
1 1 1 -6  28 38 o 33.16236 9.501922 65.31239       32.42677 -4.416000      46.23746 132.8000       45.48846 22.21047 10.02377 47.05440 10.17316 -24.84393      14.28178 
1 1 1 -6  28 39 o 20.60287 8.726755 9.925948       30.44109 27.67000       46.48566 -3.396000      40.27879 26.15617 10.91273 20.99724 9.426126 5.158930       14.42011 
1 1 1 -6  28 40 o 16.42180 7.659109 -19.35339      30.20713 5.737000       46.22753 -38.05000      39.90509 23.10184 10.25212 17.41128 8.320811 5.690561       13.20386 
1 1 1 -6  28 41 o 31.89604 9.512031 61.81067       31.93373 121.0000       48.46895 16.41000       42.44954 43.16566 11.33028 23.67106 10.17304 19.49460       15.22715 
1 1 1 -6  28 42 o 28.05229 9.500796 46.85017       31.04904 82.02000       45.66444 16.61000       42.34335 35.10658 11.51326 23.58076 10.14760 11.52582       15.34695 
1 1 1 -6  28 43 o 19.37616 8.472483 3.568943       30.49859 52.35000       44.62156 -39.20000      41.78144 29.43751 11.19875 17.68638 8.468967 11.75112       14.04049 
1 1 1 -6  28 44 o 30.01151 11.30318 56.29000       45.19059 56.29000       45.19059 0.000000       0.000000 30.01151 11.30318 ?        ?        ?              ?        
1 1 1 -6  28 45 o 16.82074 7.794714 -15.28518      30.51142 -53.38000      43.65973 21.08000       42.65706 17.05485 8.285930 24.11392 10.27648 -7.059074      13.20086 
1 1 1 -6  28 46 o 24.08602 10.39490 18.94000       44.68029 0.000000       0.000000 18.94000       44.68029 ?        ?        24.08602 10.39490 ?              ?        
1 1 1 -6  28 47 o 55.56465 6.891508 170.6032       36.67878 169.5000       51.94658 171.7000       51.79699 51.58057 10.64205 52.05795 10.52731 -0.4773712     14.96922 
1 1 1 -6  28 48 o 50.50156 7.065901 142.0960       33.97378 150.1000       48.52464 134.4000       47.58160 48.54343 10.51691 45.47108 10.84349 3.072350       15.10585 
1 1 1 -6  28 49 o 28.90080 9.454865 52.09761       30.80417 60.23000       43.26920 43.74000       43.86424 30.15797 11.11807 27.25905 10.88780 2.898914       15.56135 
1 1 1 -6  28 50 o 29.69958 9.569067 56.36880       31.62047 105.1000       44.38961 6.168000       45.05398 39.06186 11.09298 22.07566 9.934805 16.98619       14.89143 
1 1 1 -6  28 51 o 43.51461 8.064831 112.1471       33.08615 107.5000       46.06284 117.1000       47.55458 38.94833 11.37483 40.65811 11.45962 -1.709778      16.14651 
1 1 1 -6  29 1  o 145.8317 4.173749 1049.365       59.51653 1086.000       107.2854 1033.078       71.53278 147.0506 7.478181 144.4163 5.068230 2.634308       9.033834 
1 1 1 -6  29 2  o 53.60579 4.750129 143.0669       24.66658 111.5000       49.57945 153.4507       28.43559 45.66483 11.18279 55.41876 5.306782 -9.753929      12.37807 
1 1 1 -6  29 3  o 111.5879 3.309400 612.8140       36.10709 757.5000       82.89764 578.9383       40.11192 122.9680 6.915078 108.3632 3.787509 14.60481       7.884385 
1 1 1 -6  29 4  o 56.41985 3.694768 157.3761       20.29220 107.9000       50.14965 167.0627       22.18990 44.85892 11.39950 58.10075 3.924854 -13.24184      12.05625 
1 1 1 -6  29 5  o 55.27872 4.030778 151.4116       21.65999 0.000000       0.000000 151.4116       21.65999 ?        ?        55.27872 4.030778 ?              ?        
1 1 1 -6  29 6  o 20.99592 6.692476 21.64030       15.49740 51.11000       44.87683 17.65006       16.51328 32.72203 11.40964 19.82640 6.920612 12.89563       13.34446 
1 1 1 -6  29 7  o 90.71292 3.970611 406.4503       35.17056 526.5000       69.07993 364.4433       40.86319 102.3585 6.935760 85.68120 4.892712 16.67730       8.487838 
1 1 1 -6  29 8  o 40.23227 4.426170 80.89974       17.14286 128.0000       48.28083 74.10513       18.33772 49.05644 10.37916 38.37056 5.001402 10.68589       11.52132 
1 1 1 -6  29 9  o 15.10507 6.068291 5.483620       13.70759 60.29000       44.80714 -0.1753021     14.39788 34.49233 11.40909 13.93342 5.955038 20.55891       12.86973 
1 1 1 -6  29 10 o 20.90719 6.270641 22.07029       13.84784 81.09000       45.01466 15.90107       14.55360 38.94378 11.20691 18.73550 6.499591 20.20828       12.95529 
1 1 1 -6  29 11 o 95.51882 3.246005 449.5308       30.30490 423.0000       67.78625 456.1580       33.87911 91.27248 7.657991 96.14636 3.606312 -4.873886      8.464651 
1 1 1 -6  29 12 f 59.01169 3.624406 172.3073       20.83439 161.5000       52.68452 174.3107       22.68343 55.15789 10.13143 59.29871 3.930201 -4.140827      10.86703 
1 1 1 -6  29 13 o 23.98044 8.432798 26.36823       24.54718 30.14000       45.65940 24.83489       29.11227 28.75026 11.22403 24.50178 9.103756 4.248480       14.45189 
1 1 1 -6  29 14 o 95.96308 3.255407 454.1499       30.53419 421.0000       67.13042 462.7972       34.28617 90.85308 7.618831 96.78540 3.625528 -5.932320      8.437478 
1 1 1 -6  29 15 o 99.22831 3.656176 486.7020       35.45077 484.7000       70.21738 487.3868       41.06927 97.54719 7.409424 99.12898 4.242439 -1.581795      8.538024 
1 1 1 -6  29 16 o 69.79573 5.729217 245.1729       38.79663 218.9000       55.48870 270.3000       54.26521 64.62566 9.017065 72.50302 7.767354 -7.877365      11.90123 
1 1 1 -6  29 17 o 82.26839 3.168564 334.0418       25.46766 306.4000       59.87017 340.1487       28.14062 77.03675 8.058835 82.94822 3.473622 -5.911469      8.775584 
1 1 1 -6  29 18 o 55.69718 3.788070 154.0900       20.52888 0.000000       0.000000 154.0900       20.52888 ?        ?        55.69718 3.788070 ?              ?        
1 1 1 -6  29 19 o 98.14399 3.537530 476.5226       33.92806 438.3000       68.80815 488.8008       38.99854 92.29729 7.686005 99.24691 4.022778 -6.949615      8.675103 
1 1 1 -6  29 20 o 73.39327 3.194891 266.2569       22.89691 250.9000       56.20116 269.3132       25.07202 69.22804 8.470087 73.74570 3.483177 -4.517654      9.158324 
1 1 1 -6  29 21 o 46.32427 8.065385 113.3599       35.24331 127.5000       51.27776 100.7000       48.51966 47.79615 11.16345 42.34892 11.43798 5.447231       15.98280 
1 1 1 -6  29 22 o 118.7428 7.246953 723.4000       83.82928 0.000000       0.000000 723.4000       83.82928 ?        ?        118.7428 7.246953 ?              ?        
1 1 1 -6  29 23 o 175.0952 5.861145 1548.214       100.3114 1514.000       141.2767 1583.000       142.4542 170.2805 8.503063 174.2878 8.374810 -4.007217      11.93480 
1 1 1 -6  29 24 o 83.91825 5.511701 355.9829       45.02332 279.3000       63.33958 434.3000       64.01090 72.28601 9.157051 91.73846 7.185773 -19.45245      11.63988 
1 1 1 -6  29 25 o 63.71490 6.316742 208.2760       38.87686 187.4000       55.99831 227.7000       54.01564 58.35957 10.17255 65.39458 8.650590 -7.035011      13.35341 
1 1 1 -6  29 26 o 84.52933 5.502090 362.2847       45.27671 303.3000       63.62480 422.8000       64.44495 75.31081 8.796515 90.13790 7.368489 -14.82710      11.47490 
1 1 1 -6  29 27 o 40.45852 8.802525 89.98575       33.86623 56.98000       49.03027 120.1000       46.83338 32.73731 11.87185 45.88441 10.63548 -13.14710      15.93908 
1 1 1 -6  29 28 o 56.22095 6.618714 164.9779       35.72612 165.8000       51.23592 164.2000       49.84164 54.32875 10.00319 54.23198 9.747539 0.9677124E-01  13.96704 
1 1 1 -6  29 29 o 56.34171 6.556192 166.1513       35.48200 155.0000       50.29548 177.2000       50.06358 52.11065 10.22579 56.40348 9.398516 -4.292824      13.88880 
1 1 1 -6  29 30 o 27.49078 9.431960 40.66160       30.61702 46.15000       44.50438 35.73000       42.18655 29.76701 11.21574 27.67008 10.79265 2.096924       15.56516 
1 1 1 -6  29 31 o 21.91131 8.868692 16.27179       29.51942 10.32000       43.45904 21.37000       40.22214 23.89617 10.28184 24.90189 10.24800 -1.005720      14.51681 
1 1 1 -6  29 32 f 90.20801 5.147724 416.4049       45.26472 477.6000       66.37384 363.2000       61.88916 94.69076 7.215489 81.95472 7.809263 12.73604       10.63240 
1 1 1 -6  29 33 o 32.72643 11.44580 63.65000       45.18163 63.65000       45.18163 0.000000       0.000000 32.72643 11.44580 ?        ?        ?              ?        
1 1 1 -6  29 34 o 55.58325 6.500843 163.9099       34.70148 147.4000       48.87013 180.7000       49.28307 49.87729 10.34943 56.30362 9.264362 -6.426334      13.89025 
1 1 1 -6  29 35 o 45.01538 10.86767 123.7000       47.33728 0.000000       0.000000 123.7000       47.33728 ?        ?        45.01538 10.86767 ?              ?        
1 1 1 -6  29 36 o 24.92842 9.291750 31.74843       30.37323 17.77000       44.47112 43.97000       41.58267 24.60065 10.48859 28.42058 10.81097 -3.819931      15.06279 
1 1 1 -6  29 37 o 29.63192 9.417416 51.57693       30.70515 47.91000       44.63911 54.87000       42.30234 29.19190 11.17759 30.38398 11.02602 -1.192083      15.70068 
1 1 1 -6  29 38 f 38.30250 8.839794 85.63660       32.46928 104.9000       47.77393 69.10000       44.26369 40.28143 11.53067 33.09472 11.34125 7.186707       16.17345 
1 1 1 -6  29 39 o 49.78356 7.247677 136.8637       34.28142 107.4000       49.70231 163.6000       47.34597 40.15335 11.83994 52.43089 9.578333 -12.27754      15.22920 
1 1 1 -6  29 40 o 42.89849 8.225073 105.7925       33.28093 86.29000       48.24443 123.5000       45.97054 35.83106 11.83809 44.16594 10.73908 -8.334877      15.98337 
1 1 1 -6  29 41 o 22.92100 9.090171 24.21007       30.36428 46.50000       43.76053 3.514000       42.16694 28.31087 11.00643 21.85876 9.740479 6.452112       14.69756 
1 1 1 -6  29 42 o 16.27220 7.570732 -17.09243      29.22802 12.26000       41.95532 -44.77000      40.74075 22.90816 9.978452 16.98027 8.190172 5.927891       12.90924 
1 1 1 -6  29 43 o 24.14407 10.30907 20.75000       43.07423 20.75000       43.07423 0.000000       0.000000 24.14407 10.30907 ?        ?        ?              ?        
1 1 1 -6  29 44 o 25.96085 9.482109 38.58433       31.35652 51.90000       44.86609 25.87000       43.84129 29.09819 11.18960 24.90380 10.50690 4.194393       15.34933 
1 1 1 -6  29 45 o 37.84184 11.74561 98.37000       48.04224 0.000000       0.000000 98.37000       48.04224 ?        ?        37.84184 11.74561 ?              ?        
1 1 1 -6  29 46 o 33.36680 9.514472 69.52119       32.58905 53.29000       46.43945 85.27000       45.74417 29.16767 11.33865 35.22856 11.52155 -6.060892      16.16512 
1 1 1 -6  29 47 o 20.28794 8.617042 11.55424       29.81894 32.83000       41.30191 -11.61000      43.09596 25.48748 10.42515 20.16739 9.316756 5.320084       13.98162 
1 1 1 -6  29 48 o 28.51699 9.398320 50.64771       30.41409 29.61000       41.90721 74.06000       44.20909 24.84068 10.36245 32.74006 11.32964 -7.899376      15.35387 
1 1 1 -6  29 49 o 23.48277 9.107199 29.83758       29.90510 64.09000       41.50433 -7.145000      43.12671 30.62529 10.94600 20.31283 9.361064 10.31247       14.40293 
1 1 1 -6  29 50 o 25.82961 9.384191 40.88403       30.65430 34.44000       42.87945 47.62000       43.83996 25.26257 10.50567 27.38300 10.90217 -2.120436      15.14022 
1 1 1 -6  30 1  o 166.1192 5.452444 1372.901       88.53777 1316.000       125.1031 1430.000       125.3198 161.1653 7.954897 168.2429 7.629713 -7.077637      11.02238 
1 1 1 -6  30 2  o 80.92561 3.356908 322.9502       26.53308 325.8000       59.31282 322.2372       29.66700 80.03658 7.664548 80.75805 3.763375 -0.7214737     8.538635 
1 1 1 -6  30 3  o 50.27305 4.474258 125.9544       21.78743 0.000000       0.000000 125.9544       21.78743 ?        ?        50.27305 4.474258 ?              ?        
1 1 1 -6  30 4  o 168.5081 4.414237 1405.103       72.74590 0.000000       0.000000 1405.103       72.74590 ?        ?        168.5081 4.414237 ?              ?        
1 1 1 -6  30 5  o 39.09066 4.741858 76.76398       17.77322 61.63000       47.03434 79.28496       19.19654 34.84175 11.69330 39.66757 5.058992 -4.825813      12.74075 
1 1 1 -6  30 6  o 97.67278 3.263717 470.1826       31.15889 474.9000       68.82674 468.9665       34.94499 96.82236 7.316463 97.45646 3.669819 -0.6340942     8.185243 
1 1 1 -6  30 7  o 65.78808 3.441580 213.8269       22.08505 271.1000       55.18245 202.9035       24.09927 72.77003 7.872350 64.00180 3.864862 8.768227       8.769895 
1 1 1 -6  30 8  o 89.18734 3.679618 393.0442       32.05372 369.4000       63.36742 401.1744       37.15823 85.10271 7.689943 89.96931 4.231290 -4.866600      8.777188 
1 1 1 -6  30 9  o 69.32384 3.415042 237.4308       23.10182 279.0000       56.46870 229.0749       25.31746 73.72317 7.950829 68.00981 3.818475 5.713356       8.820229 
1 1 1 -6  30 10 o 58.00408 3.621856 166.6581       20.46083 173.8000       52.07575 165.3542       22.25021 57.28942 9.627697 57.70784 3.963126 -0.4184189     10.41148 
1 1 1 -6  30 11 o 48.74121 3.874553 118.1289       18.33319 93.05000       49.21439 122.1699       19.75505 41.15591 11.67782 49.52447 4.112293 -8.368557      12.38073 
1 1 1 -6  30 12 o 37.90067 4.590322 72.28849       16.68265 97.93000       47.85348 68.74099       17.79930 42.19048 11.34362 36.83366 5.071332 5.356823       12.42562 
1 1 1 -6  30 13 o 60.56232 4.993117 183.7589       29.33651 254.5000       54.58710 155.0291       34.78730 70.14299 8.099172 55.11160 6.578436 15.03139       10.43419 
1 1 1 -6  30 14 o 46.43948 6.025870 109.9354       26.74610 104.7000       48.00726 112.2918       32.20761 43.53578 11.20133 46.52301 7.313775 -2.987232      13.37763 
1 1 1 -6  30 15 o 47.95979 3.720766 114.3806       17.33036 122.1000       48.80922 113.2670       18.53827 47.13890 10.80922 47.66353 4.010705 -0.5246315     11.52931 
1 1 1 -6  30 16 o 48.51096 4.140392 117.5077       19.47244 141.0000       50.27298 113.3611       21.12117 50.81259 10.45670 47.53113 4.597079 3.281464       11.42260 
1 1 1 -6  30 17 o 45.89224 3.995960 105.1478       17.77129 146.6000       49.66640 99.06141       19.03129 51.92242 10.13629 44.43154 4.435126 7.490875       11.06412 
1 1 1 -6  30 18 o 52.63322 3.884216 137.9899       19.87005 156.9000       50.98516 134.6034       21.57601 53.72778 10.06455 51.88116 4.286920 1.846626       10.93951 
1 1 1 -6  30 19 o 91.12231 3.182237 410.3824       28.33977 320.0000       63.12888 433.1943       31.71514 78.17950 8.380142 93.53796 3.469972 -15.35847      9.070143 
1 1 1 -6  30 20 o 75.65163 4.638257 286.4054       34.18115 0.000000       0.000000 286.4054       34.18115 ?        ?        75.65163 4.638257 ?              ?        
1 1 1 -6  30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  30 22 f 32.30729 9.720401 56.91402       33.23694 100.4000       48.70049 19.00000       45.47353 41.92055 11.51636 26.30944 10.86877 15.61111       15.83530 
1 1 1 -6  30 23 o 118.0983 5.199604 702.4003       59.95900 599.6000       82.19829 819.3000       87.65410 107.1419 7.893264 126.0258 7.134838 -18.88386      10.64000 
1 1 1 -6  30 24 o 38.59455 9.244675 82.37968       34.46407 54.65000       50.69990 106.2000       46.99033 32.62064 12.03336 43.03104 11.08753 -10.41039      16.36261 
1 1 1 -6  30 25 o 94.45294 5.172569 451.4156       47.63949 472.7000       69.94695 433.0000       65.06271 94.90501 7.592914 90.99005 7.368183 3.914955       10.58029 
1 1 1 -6  30 26 o 60.20878 6.287092 187.8710       36.50695 175.1000       54.16739 198.5000       49.41633 55.63029 10.32777 60.52867 8.580967 -4.898376      13.42743 
1 1 1 -6  30 27 o 71.72842 5.653862 264.0312       39.37489 186.0000       55.04448 345.8000       56.34737 57.23241 10.19981 81.04206 7.177380 -23.80965      12.47201 
1 1 1 -6  30 28 o 48.62551 7.358430 126.9600       33.92935 46.80000       47.91189 207.6000       48.05513 30.19840 11.57579 61.82507 8.138323 -31.62667      14.15031 
1 1 1 -6  30 29 o 36.27097 8.807509 74.49540       30.95278 13.76000       45.00749 129.0000       42.63639 24.64182 10.53017 47.57739 9.488264 -22.93558      14.17433 
1 1 1 -6  30 30 o 30.64382 9.134263 53.52717       29.45305 47.27000       44.01695 58.60000       39.63294 29.70848 11.16264 31.77151 10.73419 -2.063034      15.48636 
1 1 1 -6  30 31 o 54.11032 10.16609 171.1000       51.86792 171.1000       51.86792 0.000000       0.000000 54.11032 10.16609 ?        ?        ?              ?        
1 1 1 -6  30 32 o 26.68054 10.85906 30.38000       44.54178 30.38000       44.54178 0.000000       0.000000 26.68054 10.85906 ?        ?        ?              ?        
1 1 1 -6  30 33 o 73.31071 5.637830 279.2345       40.14574 242.5000       56.91850 315.6000       56.63189 65.34602 9.149098 76.11605 7.707240 -10.77003      11.96276 
1 1 1 -6  30 34 o 64.77482 8.789079 237.1000       54.28942 0.000000       0.000000 237.1000       54.28942 ?        ?        64.77482 8.789079 ?              ?        
1 1 1 -6  30 35 o 24.95819 9.446019 31.41236       31.64867 11.90000       44.94104 50.61000       44.57713 23.85006 10.35872 29.74224 11.22085 -5.892189      15.27123 
1 1 1 -6  30 36 o 29.22308 9.520043 50.23048       31.24638 58.92000       45.27892 42.33000       43.17427 31.13007 11.39051 28.04336 10.92397 3.086704       15.78217 
1 1 1 -6  30 37 o 29.03164 9.431746 49.89654       30.68070 56.15000       44.94539 44.44000       41.98396 30.42722 11.31044 28.17471 10.82687 2.252510       15.65718 
1 1 1 -6  30 38 o 25.95706 9.367552 37.91724       30.47968 43.65000       44.45116 32.83000       41.87375 27.97746 11.02887 25.97994 10.54549 1.997524       15.25921 
1 1 1 -6  30 39 o 26.59035 9.458038 40.85779       30.95090 98.56000       45.40546 -9.225000      42.30154 38.62147 11.29729 20.46947 9.373302 18.15200       14.67949 
1 1 1 -6  30 40 o 27.33652 9.434602 44.15969       30.64871 13.34000       43.14299 75.56000       43.54749 23.21451 10.11520 33.84632 11.24937 -10.63181      15.12830 
1 1 1 -6  30 41 o 22.85931 9.057474 24.41858       30.12055 38.80000       42.90268 10.44000       42.29754 26.84054 10.75185 22.65047 9.938925 4.190063       14.64188 
1 1 1 -6  30 42 o 21.76829 9.735444 3.109000       42.52718 3.109000       42.52718 0.000000       0.000000 21.76829 9.735444 ?        ?        ?              ?        
1 1 1 -6  30 43 o 32.39693 9.513744 65.11250       32.14622 105.3000       46.87110 29.42000       44.17210 39.48950 11.45738 25.40841 10.62196 14.08109       15.62362 
1 1 1 -6  30 44 o 26.52014 10.80912 37.05000       44.20814 0.000000       0.000000 37.05000       44.20814 ?        ?        26.52014 10.80912 ?              ?        
1 1 1 -6  30 45 o 29.88818 9.605429 55.82131       31.87499 93.50000       45.78062 20.37000       44.40685 36.86758 11.46945 24.02000 10.36470 12.84757       15.45883 
1 1 1 -6  30 46 o 27.57347 9.434198 46.35063       30.62630 32.01000       42.98233 61.14000       43.64964 25.46581 10.54791 30.46224 11.17759 -4.996439      15.36870 
1 1 1 -6  30 47 o 23.98555 9.130404 31.71290       29.67260 33.66000       41.08546 29.59000       42.90012 25.33025 10.38354 24.88124 10.43921 0.4490147      14.72396 
1 1 1 -6  30 48 o 11.26449 5.658299 -71.75402      27.56647 -79.37000      38.10325 -63.39000      39.93068 13.89712 6.931508 15.22808 7.506003 -1.330961      10.21694 
1 1 1 -6  30 49 o 33.16170 9.418390 70.97006       31.99747 61.95000       44.61916 80.52000       45.91101 29.78231 11.22830 33.18083 11.54217 -3.398516      16.10268 
1 1 1 -6  31 1  o 99.94800 3.767509 494.1129       36.79226 444.4000       68.13660 514.5739       43.71292 93.31330 7.523592 101.8066 4.396964 -8.493279      8.714226 
1 1 1 -6  31 2  o 40.02384 6.212459 82.11595       23.54954 0.000000       0.000000 82.11595       23.54954 ?        ?        40.02384 6.212459 ?              ?        
1 1 1 -6  31 3  o 126.6997 4.916537 799.3056       60.85775 0.000000       0.000000 799.3056       60.85775 ?        ?        126.6997 4.916537 ?              ?        
1 1 1 -6  31 4  o 110.2689 3.323140 599.9944       35.82712 676.6000       79.63032 580.5518       40.11682 115.4729 7.079207 108.3328 3.789041 7.140045       8.029446 
1 1 1 -6  31 5  o 49.27728 4.091920 120.9752       19.55905 81.36000       49.33149 128.3642       21.30516 38.66449 11.88518 50.71672 4.333152 -12.05223      12.65045 
1 1 1 -6  31 6  o 23.93920 6.559062 29.79471       15.82146 34.05000       45.25990 29.20233       16.88684 29.17087 11.23312 23.76997 6.871360 5.400902       13.16809 
1 1 1 -6  31 7  o 20.99821 6.604956 22.07351       15.13911 50.73000       45.65321 18.53293       16.04712 32.25636 11.48542 19.90854 6.828471 12.34781       13.36199 
1 1 1 -6  31 8  o 43.16417 4.211052 93.15646       17.56582 132.0000       49.11573 87.45939       18.80993 49.27086 10.50516 41.70349 4.689116 7.567371       11.50418 
1 1 1 -6  31 9  o 83.30259 3.286002 342.7650       26.74113 314.3000       60.20999 349.7595       29.84628 78.01907 7.997337 84.06354 3.635838 -6.044464      8.785028 
1 1 1 -6  31 10 o 97.37429 3.242353 468.1346       30.86063 515.6000       69.00320 456.2668       34.50364 100.6013 7.052107 96.01045 3.678275 4.590881       7.953736 
1 1 1 -6  31 11 o 103.1038 3.265496 524.9272       32.91411 524.2000       71.92284 525.1198       37.01782 101.2599 7.305546 103.0003 3.677593 -1.740433      8.178979 
1 1 1 -6  31 12 o 39.45021 4.502335 78.31602       17.07485 117.6000       48.25441 72.69322       18.25598 46.13213 10.86651 37.85303 5.053298 8.279095       11.98402 
1 1 1 -6  31 13 o 79.31358 3.321330 311.1107       25.72785 276.6000       57.41706 319.7806       28.77868 72.86976 8.191548 80.32126 3.670146 -7.451500      8.976159 
1 1 1 -6  31 14 o 17.17964 7.521761 -3.556716      24.10661 -8.727000      42.38277 -1.084142      29.30939 22.07203 9.804618 19.34953 8.384922 2.722496       12.90106 
1 1 1 -6  31 15 o 88.33287 3.223187 385.7304       27.82180 332.5000       61.10328 399.6525       31.24901 80.00909 7.905442 89.81635 3.561530 -9.807259      8.670670 
1 1 1 -6  31 16 o 72.62599 4.258690 263.0585       30.14146 202.0000       55.19840 289.0000       35.97915 61.33874 9.500539 75.92146 4.867137 -14.58273      10.67470 
1 1 1 -6  31 17 o 30.28276 5.588885 47.47017       15.95619 37.81000       45.35761 48.83449       17.04576 29.46129 11.27056 30.64284 5.897068 -1.181547      12.72010 
1 1 1 -6  31 18 o 80.05618 4.157725 319.4776       32.46879 285.6000       59.78469 333.6501       38.66847 73.62152 8.449140 81.54583 4.866639 -7.924309      9.750495 
1 1 1 -6  31 19 o 42.29106 4.394398 90.06562       17.92599 0.000000       0.000000 90.06562       17.92599 ?        ?        42.29106 4.394398 ?              ?        
1 1 1 -6  31 20 o 87.96748 3.838415 385.0014       32.97112 353.4000       65.31516 395.8080       38.19479 81.89603 8.260659 88.96980 4.399511 -7.073769      9.359177 
1 1 1 -6  31 21 o 77.88416 5.682830 308.2835       43.02502 229.2000       59.86075 392.8000       61.88276 64.81276 9.736399 86.92894 7.341319 -22.11618      12.19395 
1 1 1 -6  31 22 f 63.86343 8.814551 219.8000       53.63309 0.000000       0.000000 219.8000       53.63309 ?        ?        63.86343 8.814551 ?              ?        
1 1 1 -6  31 23 o 52.29271 10.33941 154.4000       51.04674 154.4000       51.04674 0.000000       0.000000 52.29271 10.33941 ?        ?        ?              ?        
1 1 1 -6  31 24 o 31.71760 9.433406 56.24779       31.44110 19.09000       45.87597 89.16000       43.17564 25.91968 10.82950 39.10691 10.88226 -13.18723      15.35258 
1 1 1 -6  31 25 o 55.62401 6.501451 161.9116       34.73110 145.5000       50.62850 176.5000       47.73362 50.11351 10.64994 56.59892 8.910340 -6.485401      13.88580 
1 1 1 -6  31 26 o 24.83702 9.304607 29.28287       30.53512 30.82000       45.08249 27.98000       41.50533 27.23632 10.98285 26.25325 10.55505 0.9830685      15.23260 
1 1 1 -6  31 27 o 32.77919 9.218046 61.52105       30.80635 -3.605000      44.32008 122.4000       42.85058 22.31386 9.961831 46.06381 9.804811 -23.74994      13.97757 
1 1 1 -6  31 28 o 55.10100 6.413881 160.0588       33.94697 124.7000       48.99734 192.7000       47.07676 45.41854 11.11360 59.12904 8.367421 -13.71049      13.91136 
1 1 1 -6  31 29 o 39.10317 8.392389 86.07894       31.16079 80.40000       45.80833 90.97000       42.51208 36.10274 11.50596 38.71523 10.80760 -2.612495      15.78579 
1 1 1 -6  31 30 o 30.07361 11.31940 50.18000       45.30460 50.18000       45.30460 0.000000       0.000000 30.07361 11.31940 ?        ?        ?              ?        
1 1 1 -6  31 31 o 48.75439 7.361843 129.5191       34.03871 160.7000       50.15797 102.9000       46.34393 52.15782 10.19016 40.66328 11.25906 11.49454       15.18571 
1 1 1 -6  31 32 o 20.36233 9.251488 -9.816000      40.18594 0.000000       0.000000 -9.816000      40.18594 ?        ?        20.36233 9.251488 ?              ?        
1 1 1 -6  31 33 o 36.10102 11.13448 82.08000       43.25238 0.000000       0.000000 82.08000       43.25238 ?        ?        36.10102 11.13448 ?              ?        
1 1 1 -6  31 34 o 28.92539 9.541999 49.03941       31.34854 49.87000       46.36566 48.34000       42.54712 29.55116 11.37213 29.07911 10.96420 0.4720478      15.79680 
1 1 1 -6  31 35 o 36.38533 8.893305 77.77762       31.40190 69.96000       45.80476 84.71000       43.13350 33.14958 11.52896 36.43766 11.09692 -3.288082      16.00183 
1 1 1 -6  31 36 o 34.46212 9.072075 70.98589       31.01541 10.28000       43.78910 132.1000       43.93609 23.11722 10.12907 46.63169 9.930321 -23.51447      14.18483 
1 1 1 -6  31 37 o 38.48388 8.714121 87.42765       32.05959 127.7000       46.71378 51.57000       44.07907 44.78757 10.78524 29.24347 11.12915 15.54410       15.49772 
1 1 1 -6  31 38 o 23.94807 9.103403 29.93668       29.47177 51.83000       40.91320 6.323000       42.49027 29.08767 10.79521 22.19116 9.839494 6.896509       14.60658 
1 1 1 -6  31 39 o 29.47621 9.337901 52.70546       30.20967 24.52000       41.92951 83.13000       43.56315 24.55219 10.31202 35.42376 11.21228 -10.87157      15.23329 
1 1 1 -6  31 40 o 16.53050 7.655629 -14.65041      29.36633 19.44000       41.86240 -47.68000      41.20592 23.70552 10.14345 16.80919 8.138998 6.896330       13.00511 
1 1 1 -6  31 41 o 26.98869 10.81391 40.31000       43.41066 40.31000       43.41066 0.000000       0.000000 26.98869 10.81391 ?        ?        ?              ?        
1 1 1 -6  31 42 o 17.73076 8.055693 -7.168592      30.46701 -18.39000      43.31548 3.819000       42.86183 19.62590 9.159492 21.82781 9.767029 -2.201918      13.38996 
1 1 1 -6  31 43 o 46.40817 11.12226 141.7000       49.86398 0.000000       0.000000 141.7000       49.86398 ?        ?        46.40817 11.12226 ?              ?        
1 1 1 -6  31 44 o 37.00553 9.092968 83.95655       32.69692 60.86000       46.06905 107.4000       46.41372 30.32828 11.41467 39.65352 11.36992 -9.325241      16.11117 
1 1 1 -6  31 45 o 19.56672 8.420565 8.520637       29.15913 -2.944000      40.26767 21.16000       42.28039 20.40269 9.266312 23.73725 10.17627 -3.334555      13.76303 
1 1 1 -6  31 46 o 20.35563 8.603283 13.47186       29.47931 8.291000       40.94102 19.05000       42.48174 21.69255 9.636210 23.29584 10.09490 -1.603285      13.95577 
1 1 1 -6  31 47 o 27.58205 9.396554 48.18447       30.37618 69.14000       42.09636 25.42000       43.87569 31.40995 11.04334 24.08812 10.34726 7.321831       15.13344 
1 1 1 -6  31 48 o 32.13485 9.426855 67.09320       31.57590 67.17000       43.78768 67.01000       45.57615 30.67524 11.20496 30.52468 11.38120 0.1505585      15.97131 
1 1 1 -6  32 1  o 66.82034 4.025170 221.9560       26.20480 0.000000       0.000000 221.9560       26.20480 ?        ?        66.82034 4.025170 ?              ?        
1 1 1 -6  32 2  o 78.55229 4.431821 307.3946       33.93769 0.000000       0.000000 307.3946       33.93769 ?        ?        78.55229 4.431821 ?              ?        
1 1 1 -6  32 3  o 49.87310 4.642192 124.7303       22.40165 188.6000       52.29094 110.3734       24.79191 59.60563 9.263254 46.64714 5.537663 12.95849       10.79229 
1 1 1 -6  32 4  f 71.96761 4.425660 258.2052       31.02528 271.3000       58.28476 253.0277       36.64897 72.11977 8.414378 70.95409 5.315526 1.165672       9.952717 
1 1 1 -6  32 5  o 49.23375 4.144865 121.0259       19.78934 124.9000       50.13005 120.3107       21.53862 47.51102 10.99711 48.99009 4.543390 -1.479073      11.89869 
1 1 1 -6  32 6  o 52.59816 3.923576 137.7737       20.05482 165.1000       51.24005 132.8305       21.79338 55.36566 9.814307 51.53589 4.361153 3.829769       10.73966 
1 1 1 -6  32 7  o 76.17288 4.315880 289.0826       32.04760 367.8000       60.93502 258.9837       37.67969 84.55579 7.438098 71.72099 5.407108 12.83479       9.195766 
1 1 1 -6  32 8  o 70.69707 3.461818 247.5688       23.88303 234.3000       55.50599 250.5835       26.45744 66.70963 8.708197 71.03571 3.819130 -4.326080      9.508862 
1 1 1 -6  32 9  o 92.87657 3.257065 426.3814       29.56420 523.7000       68.97582 404.4790       32.72235 101.1975 7.006651 90.32394 3.709030 10.87360       7.927803 
1 1 1 -6  32 10 o 38.04881 4.737441 73.23136       17.26266 68.80000       46.79314 73.92947       18.57271 35.60200 11.65346 38.13529 5.103567 -2.533291      12.72201 
1 1 1 -6  32 11 o 52.21564 3.779664 135.7590       19.18714 126.6000       49.53273 137.3759       20.81199 47.69203 10.85527 52.45236 4.085822 -4.760330      11.59875 
1 1 1 -6  32 12 o 109.7329 3.356106 595.6864       36.00542 662.9000       79.47916 578.3307       40.38738 113.6400 7.181958 107.9472 3.828390 5.692810       8.138618 
1 1 1 -6  32 13 o 25.87991 6.261192 35.22174       15.68685 16.29000       45.84889 37.73175       16.69439 26.10654 10.86055 26.76030 6.449678 -0.6537609     12.63130 
1 1 1 -6  32 14 f 68.74942 4.647950 236.8776       31.09397 212.1000       55.40306 248.2707       37.56860 62.90133 9.276575 70.05780 5.523151 -7.156475      10.79630 
1 1 1 -6  32 15 o 136.2012 5.125484 931.6890       68.20975 946.1000       100.1055 919.2000       93.19154 135.2156 7.594049 133.6873 7.147625 1.528351       10.42872 
1 1 1 -6  32 16 o 51.78458 4.092947 134.1934       20.57782 128.4000       50.39004 135.3530       22.54323 47.65402 11.02235 51.89692 4.481677 -4.242901      11.89864 
1 1 1 -6  32 17 o 53.99407 4.021237 145.7757       21.09999 151.6000       53.59547 144.7074       22.95366 51.88614 10.90005 53.68099 4.407201 -1.794846      11.75731 
1 1 1 -6  32 18 o 73.97477 3.478096 271.7726       25.11387 0.000000       0.000000 271.7726       25.11387 ?        ?        73.97477 3.478096 ?              ?        
1 1 1 -6  32 19 o 62.30033 3.659560 193.3959       22.21818 193.2000       53.04710 193.4376       24.46773 59.46593 9.427680 62.18637 4.041582 -2.720444      10.25746 
1 1 1 -6  32 20 o 32.64095 4.852234 54.64650       15.03197 80.73000       45.90118 51.51308       15.90927 37.31887 11.46323 31.52339 5.346845 5.795479       12.64889 
1 1 1 -6  32 21 o 67.37495 5.853305 233.1343       38.21897 172.1000       53.93303 294.7000       54.16729 55.12036 10.37690 74.72404 7.507389 -19.60369      12.80785 
1 1 1 -6  32 22 o 26.85275 9.394887 37.38899       30.44220 5.044000       44.18347 66.62000       42.00280 23.60713 10.26196 34.01838 11.03444 -10.41124      15.06873 
1 1 1 -6  32 23 o 46.45332 7.538830 116.2339       33.10484 96.26000       48.61817 133.5000       45.20280 39.90720 11.69477 48.38167 9.879514 -8.474468      15.30922 
1 1 1 -6  32 24 o 64.14882 8.252733 224.6000       50.62026 0.000000       0.000000 224.6000       50.62026 ?        ?        64.14882 8.252733 ?              ?        
1 1 1 -6  32 25 o 18.74771 8.842184 -33.87000      42.23085 -33.87000      42.23085 0.000000       0.000000 18.74771 8.842184 ?        ?        ?              ?        
1 1 1 -6  32 26 f 91.46567 5.107341 427.9743       45.54398 360.2000       63.88913 498.0000       64.94160 81.23840 8.144227 97.01125 6.883746 -15.77286      10.66369 
1 1 1 -6  32 27 o 82.46249 5.247277 349.5745       42.13451 337.3000       61.10641 360.7000       58.17594 78.51159 8.066058 81.94859 7.329951 -3.436996      10.89906 
1 1 1 -6  32 28 o 49.11739 7.203147 130.6848       33.60226 84.04000       47.76175 176.4000       47.28340 36.58566 11.75797 55.83305 8.954481 -19.24740      14.77946 
1 1 1 -6  32 29 o 57.14278 9.572258 188.7000       51.64855 188.7000       51.64855 0.000000       0.000000 57.14278 9.572258 ?        ?        ?              ?        
1 1 1 -6  32 30 f 65.24329 5.906643 223.2285       37.31273 240.1000       53.89709 207.7000       51.70732 65.33742 8.638949 60.37847 9.025682 4.958950       12.49377 
1 1 1 -6  32 31 o 50.30599 10.03696 150.9000       47.68964 0.000000       0.000000 150.9000       47.68964 ?        ?        50.30599 10.03696 ?              ?        
1 1 1 -6  32 32 o 47.76740 7.358384 125.6240       33.30183 126.6000       49.22014 124.8000       45.22491 44.74540 11.25110 45.17019 10.43819 -0.4247971     15.34741 
1 1 1 -6  32 33 o 36.66996 8.953362 79.19312       31.85306 106.0000       48.10981 58.27000       42.50340 40.36039 11.57681 30.87409 11.07205 9.486303       16.01914 
1 1 1 -6  32 34 o 21.46153 8.805168 16.71000       29.57630 38.66000       42.74503 -3.451000      40.96606 27.13629 10.77778 20.94938 9.446635 6.186909       14.33176 
1 1 1 -6  32 35 o 26.85699 9.460212 41.93762       30.90237 125.2000       46.17824 -25.59000      41.58663 44.35744 10.74947 18.74657 8.820890 25.61087       13.90537 
1 1 1 -6  32 36 o 19.84915 8.477494 8.937154       29.14224 21.72000       41.19540 -3.868000      41.23133 24.04748 10.16724 20.78168 9.413833 3.265802       13.85616 
1 1 1 -6  32 37 o 19.96478 8.496829 9.926054       29.09338 0.5042000      40.52171 19.95000       41.79641 21.08353 9.460508 23.81186 10.16076 -2.728327      13.88317 
1 1 1 -6  32 38 o 25.95029 9.347324 38.64191       30.33088 44.89000       42.81956 32.35000       42.96950 27.83886 10.86905 25.79726 10.60177 2.041599       15.18334 
1 1 1 -6  32 39 o 28.76939 9.465083 50.65475       30.85262 44.86000       42.64334 57.02000       44.69319 27.69437 10.83674 29.89777 11.24501 -2.203392      15.61683 
1 1 1 -6  32 40 o 19.01953 8.365703 2.950239       30.13108 -39.29000      41.08883 52.09000       44.31769 17.34360 8.329453 28.94297 11.12330 -11.59937      13.89631 
1 1 1 -6  32 41 o 23.03036 10.10362 13.11000       43.69154 0.000000       0.000000 13.11000       43.69154 ?        ?        23.03036 10.10362 ?              ?        
1 1 1 -6  32 42 o 28.33525 9.720145 49.71053       32.51620 43.28000       46.24195 56.00000       45.73200 27.43957 11.10228 29.50774 11.30980 -2.068171      15.84842 
1 1 1 -6  32 43 o 21.10495 8.758941 16.81507       29.72061 1.703000       41.23715 33.15000       42.87313 21.11155 9.502474 25.53588 10.55172 -4.424330      14.19986 
1 1 1 -6  32 44 o 15.81074 7.395643 -17.42423      28.50209 -34.17000      38.67551 2.481000       42.16646 17.01231 8.146706 21.28914 9.593351 -4.276833      12.58575 
1 1 1 -6  32 45 o 19.69873 8.457659 10.12299       29.28726 -1.337000      40.32954 22.91000       42.60058 20.38925 9.265401 23.73840 10.19639 -3.349155      13.77730 
1 1 1 -6  32 46 o 28.71720 9.455421 53.21210       30.78740 45.01000       42.63445 62.15000       44.50571 26.81927 10.72671 29.77581 11.21659 -2.956541      15.52012 
1 1 1 -6  32 47 o 20.34607 8.678863 14.13114       30.47507 32.88000       42.29343 -6.116000      43.95084 24.70173 10.36460 20.25944 9.376673 4.442286       13.97666 
1 1 1 -6  33 1  o 38.26532 8.015743 78.12313       29.05995 0.000000       0.000000 78.12313       29.05995 ?        ?        38.26532 8.015743 ?              ?        
1 1 1 -6  33 2  o 19.73361 7.106927 17.20635       17.53289 124.7000       46.88902 -0.2662410     18.90420 47.53010 10.37074 15.77214 6.783716 31.75797       12.39237 
1 1 1 -6  33 3  o 84.27642 3.796466 352.6852       31.23743 341.0000       62.53623 356.5700       36.05809 80.90363 8.001598 84.54280 4.372178 -3.639175      9.118196 
1 1 1 -6  33 4  o 40.51424 5.370223 83.68694       20.77243 81.50000       49.00518 84.16595       22.93478 38.15393 11.86601 40.44623 5.972530 -2.292305      13.28432 
1 1 1 -6  33 5  f 29.89147 6.055793 46.64795       17.11051 79.07000       48.68024 42.07779       18.27670 37.63825 11.84461 28.22330 6.713954 9.414946       13.61513 
1 1 1 -6  33 6  o 72.55740 3.499099 261.0578       24.77776 255.7000       57.67552 262.2705       27.43889 69.56610 8.656845 72.61974 3.874184 -3.053635      9.484211 
1 1 1 -6  33 7  o 92.03314 3.284771 419.0834       29.54326 437.1000       66.49763 414.6528       32.97643 91.97691 7.449917 91.41409 3.692999 0.5628204      8.315017 
1 1 1 -6  33 8  o 17.13633 6.440112 11.45611       14.65280 -13.06000      44.08450 14.50094       15.53610 21.91250 9.847203 18.36466 6.679438 3.547836       11.89884 
1 1 1 -6  33 9  o 14.70953 6.055505 3.957623       14.05002 -18.76000      44.00855 6.535901       14.82588 21.25994 9.668002 15.73236 6.314191 5.527579       11.54726 
1 1 1 -6  33 10 o 19.58490 6.454775 18.85403       14.34615 81.52000       46.52819 12.27056       15.08092 38.02062 11.51431 17.51294 6.543449 20.50768       13.24372 
1 1 1 -6  33 11 o 49.17440 3.939510 120.8601       18.80365 158.4000       50.54501 114.8301       20.25763 53.70608 9.982329 47.80704 4.377569 5.899044       10.90000 
1 1 1 -6  33 12 o 56.78271 3.808919 160.7728       21.04771 130.6000       52.26890 166.6123       22.99441 47.86198 11.33324 57.72673 4.096086 -9.864754      12.05074 
1 1 1 -6  33 13 o 82.28777 3.835416 337.0569       30.80758 233.7000       59.69913 374.5717       35.96662 65.61224 9.577882 86.58953 4.256583 -20.97729      10.48114 
1 1 1 -6  33 14 o 18.81166 6.602272 16.38246       15.04176 50.09000       45.70602 12.28833       15.92908 31.42373 11.45248 17.73664 6.703990 13.68708       13.27037 
1 1 1 -6  33 15 o 26.34222 8.471412 36.35392       24.79012 70.88000       45.91510 22.14842       29.45169 35.47964 11.53903 23.50145 9.058447 11.97819       14.66985 
1 1 1 -6  33 16 o 20.50654 6.341306 21.61269       14.01821 0.000000       0.000000 21.61269       14.01821 ?        ?        20.50654 6.341306 ?              ?        
1 1 1 -6  33 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  33 18 o 25.00388 9.305208 29.04079       30.43806 16.85000       41.80835 42.79000       44.40030 24.85989 10.35877 29.55475 11.18771 -4.694859      15.24693 
1 1 1 -6  33 19 o 64.43166 3.230211 206.4818       20.30715 188.4000       51.08362 209.8756       22.13096 58.34539 9.253222 64.87112 3.498261 -6.525730      9.892419 
1 1 1 -6  33 20 o 58.12931 3.291873 168.3858       18.65374 168.8000       49.05694 168.3157       20.16871 54.88105 9.474480 58.02689 3.568190 -3.145832      10.12412 
1 1 1 -6  33 21 o 43.82571 7.604344 104.2253       31.43870 94.68000       45.16224 113.2000       43.79152 39.69876 11.16008 44.01263 10.34143 -4.313873      15.21488 
1 1 1 -6  33 22 o 24.06113 9.107298 26.93402       29.42112 43.99000       43.99885 13.14000       39.56839 29.16836 11.11460 23.46568 9.944818 5.702681       14.91422 
1 1 1 -6  33 23 o 38.94021 8.242310 84.62419       30.43550 53.51000       44.15023 112.8000       42.01379 30.86997 11.25508 43.95470 9.992295 -13.08473      15.05068 
1 1 1 -6  33 24 o 50.96509 6.660488 138.2417       32.43225 166.6000       47.21135 112.9000       44.62972 54.16683 9.235393 43.41438 10.59668 10.75245       14.05639 
1 1 1 -6  33 25 o 49.41631 6.992588 131.5022       32.87937 151.3000       48.37213 114.5000       44.82690 50.74436 10.09403 43.56968 10.61117 7.174683       14.64535 
1 1 1 -6  33 26 o 42.04126 10.89510 108.3000       45.19704 0.000000       0.000000 108.3000       45.19704 ?        ?        42.04126 10.89510 ?              ?        
1 1 1 -6  33 27 o 39.66470 11.44497 99.11000       46.88841 99.11000       46.88841 0.000000       0.000000 39.66470 11.44497 ?        ?        ?              ?        
1 1 1 -6  33 28 o 48.86948 10.43303 143.8000       48.38712 143.8000       48.38712 0.000000       0.000000 48.86948 10.43303 ?        ?        ?              ?        
1 1 1 -6  33 29 o 24.14562 9.274389 28.20018       30.79729 32.04000       44.27277 24.60000       42.86902 26.55755 10.81978 25.23791 10.50064 1.319641       15.07751 
1 1 1 -6  33 30 o 33.64997 11.35867 71.65000       44.37835 0.000000       0.000000 71.65000       44.37835 ?        ?        33.64997 11.35867 ?              ?        
1 1 1 -6  33 31 o 17.63188 7.968770 -7.289256      29.34430 -19.42000      42.57737 3.686000       40.49883 19.70875 9.158698 21.77511 9.633017 -2.066364      13.29198 
1 1 1 -6  33 32 o 17.53439 7.936420 -7.533576      29.23415 19.00000       43.25243 -29.85000      39.66660 24.21749 10.33510 18.00428 8.515023 6.213207       13.39104 
1 1 1 -6  33 33 o 17.52600 7.964419 -8.319798      29.80088 8.774000       43.85896 -22.98000      40.61711 22.84007 10.06783 18.76893 8.795248 4.071138       13.36853 
1 1 1 -6  33 34 o 32.62177 9.268175 64.92833       30.97970 68.34000       44.53649 61.73000       43.12159 32.26922 11.35779 31.01925 11.14883 1.249971       15.91527 
1 1 1 -6  33 35 o 18.21615 8.105287 -1.090518      29.08685 19.45000       41.49680 -20.93000      40.78252 23.65897 10.11069 18.87098 8.833413 4.787992       13.42591 
1 1 1 -6  33 36 o 27.73532 9.395046 46.18724       30.36177 20.21000       42.58270 73.05000       43.30241 23.93916 10.23657 33.17252 11.22007 -9.233366      15.18806 
1 1 1 -6  33 37 o 44.19758 7.869417 112.2225       32.79634 115.9000       45.93891 108.4000       46.83617 41.88730 11.04777 40.05111 11.40146 1.836185       15.87597 
1 1 1 -6  33 38 o 26.97592 10.75363 40.99000       42.70639 40.99000       42.70639 0.000000       0.000000 26.97592 10.75363 ?        ?        ?              ?        
1 1 1 -6  33 39 o 23.55368 9.204796 28.28180       30.73455 52.23000       43.27111 3.899000       43.66197 28.88381 11.01841 21.90795 9.826142 6.975855       14.76341 
1 1 1 -6  33 40 o 34.23623 11.64060 81.36000       46.61414 0.000000       0.000000 81.36000       46.61414 ?        ?        34.23623 11.64060 ?              ?        
1 1 1 -6  33 41 o 19.68018 8.559200 7.064104       30.76943 7.750000       42.71033 6.324000       44.36598 22.06521 9.819582 22.17505 9.928592 -0.1098423     13.96428 
1 1 1 -6  33 42 o 21.80829 8.847532 20.95246       29.45698 20.10000       40.91304 21.87000       42.44617 23.36303 10.01300 23.81373 10.20237 -0.4507046     14.29505 
1 1 1 -6  33 43 f 25.54532 9.257055 38.92654       29.80370 75.07000       41.42821 0.1543000      42.90834 33.01756 10.97218 21.08174 9.571012 11.93581       14.55998 
1 1 1 -6  33 44 o 20.82538 8.667554 17.06096       29.22187 51.41000       39.98644 -22.31000      42.80982 28.07226 10.61921 18.78658 8.873268 9.285679       13.83844 
1 1 1 -6  33 45 o 32.14973 9.305582 66.97008       30.95250 89.49000       43.07589 42.93000       44.50602 35.24405 11.14865 26.41493 10.81526 8.829121       15.53262 
1 1 1 -6  34 1  o 83.74753 4.118578 349.7850       33.65824 382.3000       63.57256 337.1206       39.67524 85.65855 7.663017 81.86425 4.974782 3.794296       9.136207 
1 1 1 -6  34 2  o 56.36949 5.135507 160.7656       28.02487 219.1000       53.81985 139.0642       32.82640 64.03669 8.820371 51.83227 6.621161 12.20442       11.02899 
1 1 1 -6  34 3  o 49.25171 4.311027 121.7763       20.57368 99.38000       50.68048 126.1954       22.51206 41.52763 11.87268 50.04333 4.648980 -8.515705      12.75043 
1 1 1 -6  34 4  o 24.28380 7.277901 30.89137       18.65920 56.05000       46.63869 26.09698       20.35963 32.71412 11.61280 22.91099 7.693377 9.803129       13.93001 
1 1 1 -6  34 5  o 58.77788 4.204172 172.9359       24.02831 236.8000       53.72311 156.9656       26.86520 66.80516 8.401042 55.73303 4.976918 11.07213       9.764590 
1 1 1 -6  34 6  o 41.77370 4.648159 88.28303       18.68448 132.7000       49.21078 80.80137       20.19689 48.58636 10.64271 39.73942 5.326257 8.846935       11.90110 
1 1 1 -6  34 7  o 61.05783 3.713008 185.7003       22.08593 220.7000       54.16513 178.7208       24.18804 64.15240 8.862303 59.76164 4.160956 4.390762       9.790504 
1 1 1 -6  34 8  f 36.23960 4.921788 67.00278       17.00792 183.5000       49.43307 51.36051       18.11380 58.34051 8.941022 31.29650 6.132402 27.04400       10.84197 
1 1 1 -6  34 9  o 40.08428 4.532821 81.29522       17.47311 34.92000       45.97961 89.12289       18.89028 28.74537 11.25130 41.94791 4.680324 -13.20254      12.18594 
1 1 1 -6  34 10 o 22.89463 6.427601 27.58573       14.99133 65.78000       45.53563 22.94272       15.87640 34.41079 11.50488 21.23463 6.774399 13.17616       13.35121 
1 1 1 -6  34 11 o 19.12618 6.430978 17.83389       14.22593 79.66000       45.01825 10.97514       14.99427 37.26430 11.33438 17.02478 6.488115 20.23952       13.06000 
1 1 1 -6  34 12 o 32.04863 5.990490 53.84536       18.10145 41.63000       46.99602 55.97327       19.61482 29.82602 11.45658 32.56070 6.382656 -2.734680      13.11456 
1 1 1 -6  34 13 o 44.82431 4.248681 101.3118       18.41867 73.55000       47.57615 106.2062       19.97642 35.73569 11.75349 45.81887 4.512679 -10.08318      12.59003 
1 1 1 -6  34 14 o 93.32279 3.254736 432.3791       29.68550 413.3000       65.29720 437.3496       33.32885 88.49264 7.612342 93.69156 3.641173 -5.198921      8.438358 
1 1 1 -6  34 15 o 21.05860 8.611282 12.55970       28.17058 0.000000       0.000000 12.55970       28.17058 ?        ?        21.05860 8.611282 ?              ?        
1 1 1 -6  34 16 o 36.67289 8.817323 75.30612       31.25990 48.08000       45.40479 99.84000       43.10145 30.39444 11.35438 41.34638 10.60087 -10.95194      15.53385 
1 1 1 -6  34 17 o 73.39685 3.725996 269.5138       26.68105 209.5000       53.82143 289.0676       30.72172 61.36110 9.248025 75.82050 4.155433 -14.45939      10.13872 
1 1 1 -6  34 18 o 31.58206 5.092177 51.83480       15.20641 44.21000       44.94498 52.82043       16.15939 29.40805 11.22680 31.78330 5.386363 -2.375257      12.45206 
1 1 1 -6  34 19 o 35.78548 4.305573 65.34765       14.77887 138.4000       45.25243 56.62566       15.63625 49.02872 9.772572 33.04533 4.989396 15.98339       10.97257 
1 1 1 -6  34 20 o 24.48667 5.710083 32.02887       13.43325 28.38000       41.11290 32.46497       14.21336 26.04860 10.49373 24.59169 5.966346 1.456915       12.07127 
1 1 1 -6  34 21 o 38.16384 8.284217 81.76494       30.05664 78.33000       42.35341 85.25000       42.66128 35.90513 11.00805 37.43255 10.95087 -1.527424      15.52735 
1 1 1 -6  34 22 o 21.09524 8.592675 14.75374       27.91597 25.25000       39.18742 3.939000       39.77747 25.10071 10.19683 22.05096 9.658123 3.049757       14.04473 
1 1 1 -6  34 23 o 59.85173 5.971517 187.8902       34.51742 217.9000       49.82684 160.2000       47.86241 62.62629 8.335077 52.53817 9.663052 10.08812       12.76119 
1 1 1 -6  34 24 o 25.47853 9.162178 34.38137       29.12715 34.33000       41.76864 34.43000       40.63861 26.84360 10.65642 26.73003 10.54278 0.1135693      14.99031 
1 1 1 -6  34 25 o 20.80718 8.689755 11.81936       29.51954 28.12000       42.79712 -2.974000      40.77045 25.90246 10.60553 21.26790 9.520447 4.634556       14.25189 
1 1 1 -6  34 26 o 21.22955 9.611496 -7.014000      42.91112 -7.014000      42.91112 0.000000       0.000000 21.22955 9.611496 ?        ?        ?              ?        
1 1 1 -6  34 27 o 37.39123 9.129906 82.33631       33.12041 63.56000       47.36609 100.3000       46.32977 32.05447 11.66217 39.60045 11.36119 -7.545979      16.28136 
1 1 1 -6  34 28 o 57.63365 9.240373 193.1000       50.36723 0.000000       0.000000 193.1000       50.36723 ?        ?        57.63365 9.240373 ?              ?        
1 1 1 -6  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  34 30 o 21.28526 8.806210 15.37199       29.91223 13.27000       43.36414 17.28000       41.31479 23.45657 10.18168 23.66033 10.09925 -0.2037601     14.34090 
1 1 1 -6  34 31 o 31.37136 9.309257 59.71257       30.64665 81.78000       44.02206 38.96000       42.69042 35.23265 11.28483 27.00347 10.75591 8.229187       15.58964 
1 1 1 -6  34 32 o 58.90267 6.193411 186.8146       35.17484 210.2000       49.99953 163.9000       49.49378 59.94709 8.781357 51.41132 10.19546 8.535774       13.45584 
1 1 1 -6  34 33 o 44.53027 7.665132 112.8056       32.20530 96.88000       45.08398 129.4000       46.02081 37.98563 11.29580 44.94845 10.62833 -6.962814      15.50988 
1 1 1 -6  34 34 o 59.21201 6.225698 189.4691       35.54393 239.8000       51.74339 144.5000       48.90966 64.31946 8.420798 47.37226 10.78990 16.94719       13.68692 
1 1 1 -6  34 35 o 25.47447 9.233945 37.10764       29.65777 0.6251000      41.10063 76.74000       42.83816 21.13982 9.503365 33.88016 11.15337 -12.74034      14.65304 
1 1 1 -6  34 36 o 38.29444 8.671987 87.78329       31.74796 71.36000       44.50524 104.8000       45.30216 32.48475 11.35991 39.45353 11.20717 -6.968784      15.95770 
1 1 1 -6  34 37 o 22.22020 9.805817 9.693000       41.71850 9.693000       41.71850 0.000000       0.000000 22.22020 9.805817 ?        ?        ?              ?        
1 1 1 -6  34 38 o 18.57067 8.271294 -0.1409612     30.36823 1.330000       42.38921 -1.692000      43.52774 21.33144 9.614978 21.21078 9.633633 0.1206551      13.61083 
1 1 1 -6  34 39 o 23.87137 10.34045 19.76000       44.54000 0.000000       0.000000 19.76000       44.54000 ?        ?        23.87137 10.34045 ?              ?        
1 1 1 -6  34 40 o 25.31518 9.469116 37.14500       31.59927 90.80000       44.68812 -16.51000      44.68812 36.12548 11.34578 19.87129 9.283714 16.25420       14.65995 
1 1 1 -6  34 41 o 23.14412 9.022095 27.85701       29.46669 64.09000       40.76768 -11.78000      42.63972 30.89583 10.86725 19.88066 9.213344 11.01517       14.24720 
1 1 1 -6  34 42 o 28.91662 9.315831 52.98241       29.96952 35.41000       41.12648 72.88000       43.76289 25.40578 10.39867 32.16231 11.26350 -6.756531      15.32967 
1 1 1 -6  34 43 o 23.10917 9.001840 29.12998       29.31731 42.34000       40.03215 13.85000       43.05452 26.27416 10.43184 22.41517 9.923451 3.858990       14.39785 
1 1 1 -6  34 44 o 33.12650 9.288287 71.31194       31.32609 93.17000       43.50682 47.78000       45.14196 35.79669 11.18791 27.06020 10.96195 8.736490       15.66314 
1 1 1 -6  35 1  o 39.26512 5.442191 79.30025       20.35477 82.94000       50.21992 78.58479       22.26565 37.79556 12.04747 38.87084 6.048693 -1.075283      13.48066 
1 1 1 -6  35 2  o 64.49036 4.787718 209.9127       30.00687 237.5000       56.81079 199.2383       35.33852 66.24292 8.993720 62.35420 5.858608 3.888718       10.73361 
1 1 1 -6  35 3  o 54.93919 5.334156 153.8237       28.32435 172.9000       54.25634 146.6771       33.20881 55.49174 10.37006 53.12410 6.523160 2.367645       12.25111 
1 1 1 -6  35 4  o 34.52141 5.623591 61.83668       18.34889 135.3000       49.34193 50.04715       19.76647 48.74409 10.64085 30.62836 6.773238 18.11573       12.61366 
1 1 1 -6  35 5  o 25.03520 7.099714 33.43444       18.19579 44.33000       46.67019 31.48137       19.75945 30.21214 11.46241 24.43327 7.524012 5.778872       13.71122 
1 1 1 -6  35 6  f 65.31174 4.044939 213.6328       25.73196 195.5000       54.88902 218.7404       29.13148 59.35622 9.788310 65.89606 4.544273 -6.539848      10.79173 
1 1 1 -6  35 7  o 38.80011 4.915840 76.94945       18.25126 116.0000       50.30334 71.02946       19.58589 44.40491 11.48723 37.03242 5.576066 7.372482       12.76906 
1 1 1 -6  35 8  o 43.47398 4.458704 95.70397       18.70480 94.55000       50.30777 95.88908       20.14931 39.85677 11.95143 43.39414 4.825263 -3.537373      12.88875 
1 1 1 -6  35 9  o 21.63939 6.669285 24.40966       15.52114 41.89000       47.08401 22.27852       16.44008 29.65231 11.44702 20.98196 6.909543 8.670351       13.37072 
1 1 1 -6  35 10 o 12.97515 5.719727 -3.046683      14.15778 124.1000       47.07095 -15.69319      14.84519 46.31849 10.61064 11.08433 5.232279 35.23417       11.83057 
1 1 1 -6  35 11 f 62.01084 4.094581 193.2448       24.71416 139.8000       51.34264 209.3628       28.19564 48.87007 10.99946 64.38260 4.502495 -15.51253      11.88531 
1 1 1 -6  35 12 o 30.37498 5.823114 48.67488       16.68336 4.567000       44.03804 56.06599       18.02705 23.42370 10.21275 32.64113 5.857490 -9.217432      11.77330 
1 1 1 -6  35 13 o 46.29156 4.469381 108.8084       19.99989 0.000000       0.000000 108.8084       19.99989 ?        ?        46.29156 4.469381 ?              ?        
1 1 1 -6  35 14 o 54.60897 9.204358 167.3000       47.45229 0.000000       0.000000 167.3000       47.45229 ?        ?        54.60897 9.204358 ?              ?        
1 1 1 -6  35 15 o 32.81539 5.052979 55.92081       15.71042 50.59000       44.91710 56.66386       16.76963 30.42152 11.30715 32.91185 5.392085 -2.490335      12.52702 
1 1 1 -6  35 16 o 36.79935 7.040042 73.45822       24.43476 71.65000       45.23854 74.20305       29.03436 34.44181 11.46623 36.33516 8.340335 -1.893349      14.17870 
1 1 1 -6  35 17 o 62.33745 3.930107 195.7395       23.85852 123.0000       48.44732 219.0282       27.41309 45.03131 11.07050 65.78400 4.280518 -20.75268      11.86924 
1 1 1 -6  35 18 o 42.50546 4.659997 92.63750       19.07069 42.43000       43.07443 104.8785       21.26880 28.58574 10.97124 45.15452 4.890058 -16.56878      12.01169 
1 1 1 -6  35 19 o 28.14739 5.184026 41.69913       13.75662 -8.093000      39.92453 48.40714       14.65399 20.58585 9.300244 30.40815 5.104003 -9.822304      10.60874 
1 1 1 -6  35 20 f 58.72276 3.219552 172.4083       18.43501 169.6000       47.05688 172.9175       20.03658 54.47028 9.149956 58.69625 3.503383 -4.225964      9.797724 
1 1 1 -6  35 21 o 66.19326 5.776834 228.9173       37.05450 233.9000       51.57202 223.6000       53.27546 64.82037 8.319845 62.82685 8.913015 1.993519       12.19269 
1 1 1 -6  35 22 o 35.05445 9.018520 71.74274       31.12144 81.26000       41.19554 59.09000       47.49923 36.23278 10.80334 31.47076 11.64052 4.762024       15.88124 
1 1 1 -6  35 23 o 64.70454 5.919679 220.0229       37.07711 182.6000       49.60434 267.4000       55.81293 56.17582 9.349678 69.07957 8.428596 -12.90375      12.58800 
1 1 1 -6  35 24 o 47.30658 7.518736 123.5871       33.65179 113.3000       47.22409 134.2000       47.96624 42.36324 11.21439 46.72468 10.71635 -4.361435      15.51137 
1 1 1 -6  35 25 o 57.28590 9.692924 193.8000       52.41465 193.8000       52.41465 0.000000       0.000000 57.28590 9.692924 ?        ?        ?              ?        
1 1 1 -6  35 26 o 57.18843 6.468699 175.6040       35.57528 163.8000       51.85478 186.1000       48.89744 51.59983 10.62100 56.56756 9.142773 -4.967731      14.01414 
1 1 1 -6  35 27 o 23.16499 9.990704 13.82000       41.21916 0.000000       0.000000 13.82000       41.21916 ?        ?        23.16499 9.990704 ?              ?        
1 1 1 -6  35 28 o 33.81867 9.362466 69.19782       32.04834 110.3000       47.92923 35.96000       43.10070 40.97928 11.48862 26.67002 10.74430 14.30926       15.72986 
1 1 1 -6  35 29 o 30.24374 9.383667 55.58158       30.66651 60.57000       43.65097 50.72000       43.09240 30.86843 11.20060 29.02199 11.01350 1.846437       15.70830 
1 1 1 -6  35 30 o 45.32897 10.73428 131.9000       46.88718 0.000000       0.000000 131.9000       46.88718 ?        ?        45.32897 10.73428 ?              ?        
1 1 1 -6  35 31 o 27.78826 10.61319 45.97000       40.17792 45.97000       40.17792 0.000000       0.000000 27.78826 10.61319 ?        ?        ?              ?        
1 1 1 -6  35 32 o 44.75515 7.744946 114.5916       32.70096 77.08000       45.04225 156.4000       47.55202 33.66517 11.44271 50.12023 10.04302 -16.45506      15.22491 
1 1 1 -6  35 33 o 12.57321 6.217748 -54.66531      28.19463 -60.47000      39.63676 -48.72000      40.11396 15.53203 7.620431 16.42667 7.971819 -0.8946352     11.02818 
1 1 1 -6  35 34 f 36.01569 8.862351 78.77173       31.02634 46.46000       43.01874 113.8000       44.79061 27.80152 10.88267 41.46976 10.89511 -13.66824      15.39922 
1 1 1 -6  35 35 o 21.45363 8.824151 18.44987       29.80065 20.35000       41.13012 16.35000       43.23780 23.51551 10.05806 23.27830 10.13488 0.2372112      14.27867 
1 1 1 -6  35 36 o 26.84301 10.75526 41.16000       42.93989 41.16000       42.93989 0.000000       0.000000 26.84301 10.75526 ?        ?        ?              ?        
1 1 1 -6  35 37 o 21.57732 8.953310 18.16257       31.04615 9.636000       43.57883 26.95000       44.24043 22.44715 9.958240 24.77210 10.50775 -2.324947      14.47685 
1 1 1 -6  35 38 o 52.57163 10.41776 177.6000       51.71268 0.000000       0.000000 177.6000       51.71268 ?        ?        52.57163 10.41776 ?              ?        
1 1 1 -6  35 39 o 26.58051 9.320411 43.06251       29.97206 35.84000       40.59251 51.72000       44.44243 25.61032 10.38750 28.44414 11.08234 -2.833826      15.18942 
1 1 1 -6  35 40 o 21.58811 8.813448 20.65813       29.44977 65.80000       40.77286 -28.58000      42.58260 31.01502 10.87116 18.27514 8.694962 12.73988       13.92065 
1 1 1 -6  35 41 o 32.47471 9.177979 67.17535       30.46067 60.38000       41.92913 74.77000       44.32656 29.64636 10.94190 32.27251 11.33325 -2.626152      15.75334 
1 1 1 -6  35 42 o 29.35312 9.376912 56.12671       30.41003 20.78000       41.05384 99.10000       45.26668 22.90420 9.924493 36.80457 11.39757 -13.90037      15.11291 
1 1 1 -6  35 43 o 14.47560 6.943389 -27.97534      28.35153 -55.12000      39.22373 1.723000       41.02729 15.38768 7.555889 20.49532 9.325947 -5.107645      12.00270 
1 1 1 -6  36 1  o 23.26663 7.324349 28.56013       18.61294 12.17000       47.26497 31.56840       20.24915 25.06093 10.75187 24.35128 7.635835 0.7096519      13.18745 
1 1 1 -6  36 2  o 37.31071 5.551835 72.38281       19.65894 85.10000       49.55968 70.00813       21.41589 37.57634 11.96694 36.41545 6.232116 1.160885       13.49247 
1 1 1 -6  36 3  o 22.59402 8.469198 22.96816       25.30572 -41.30000      46.13289 50.62932       30.26550 19.27862 9.136955 30.09031 9.319802 -10.81168      13.05154 
1 1 1 -6  36 4  o 43.27422 6.695689 99.26972       27.44662 112.4000       49.21011 93.34084       33.06768 43.26089 11.44579 41.01802 8.515104 2.242870       14.26580 
1 1 1 -6  36 5  o 65.71850 3.741925 216.2697       23.97124 256.4000       56.14984 207.3256       26.50830 68.51065 8.559280 64.13238 4.246697 4.378273       9.554879 
1 1 1 -6  36 6  o 18.43251 7.002127 13.79728       17.42938 46.35000       44.72628 7.968780       18.92551 29.86543 11.24565 17.36157 7.073812 12.50386       13.28546 
1 1 1 -6  36 7  o 47.73569 4.654047 116.0564       21.47021 155.9000       50.49269 107.2623       23.72156 51.93707 10.29609 45.55854 5.425951 6.378532       11.63832 
1 1 1 -6  36 8  o 56.49330 3.887179 160.4584       21.36399 189.4000       51.99870 154.5808       23.43313 57.92660 9.499836 55.25222 4.368378 2.674374       10.45608 
1 1 1 -6  36 9  o 63.34764 4.104019 202.2972       25.31059 279.1000       56.13731 182.7009       28.35635 71.59715 8.155545 59.82511 4.884888 11.77204       9.506579 
1 1 1 -6  36 10 o 37.71384 5.440082 74.14874       19.50237 63.81000       47.12199 76.28568       21.42326 32.94608 11.67500 38.04587 5.947279 -5.099789      13.10251 
1 1 1 -6  36 11 o 58.12954 3.805907 169.9568       21.53605 178.0000       51.80497 168.2764       23.67912 55.55127 9.889915 57.66118 4.224747 -2.109913      10.75448 
1 1 1 -6  36 12 o 17.08562 8.173080 -41.57000      38.70107 0.000000       0.000000 -41.57000      38.70107 ?        ?        17.08562 8.173080 ?              ?        
1 1 1 -6  36 13 f 22.19273 6.943918 26.23254       16.75491 0.000000       0.000000 26.23254       16.75491 ?        ?        22.19273 6.943918 ?              ?        
1 1 1 -6  36 14 o 29.68352 5.784090 46.91796       16.20142 57.62000       42.88853 45.13658       17.49793 31.40472 11.13730 28.88707 6.360793 2.517645       12.82572 
1 1 1 -6  36 15 f 22.70926 6.375712 27.86982       14.75008 72.43000       42.34110 21.71523       15.73577 34.43649 11.07097 20.47906 6.760643 13.95743       12.97200 
1 1 1 -6  36 16 o 17.66395 7.323294 7.457007       20.74623 -21.44000      41.40762 17.14210       23.97208 19.49811 9.050950 20.67191 8.114303 -1.173798      12.15572 
1 1 1 -6  36 17 o 37.44998 4.424362 71.96828       15.90564 32.66000       43.78819 77.94310       17.07171 26.78826 10.81627 38.93513 4.566158 -12.14688      11.74059 
1 1 1 -6  36 18 o 18.59007 6.717322 16.28275       15.67901 -16.11000      38.70360 22.64239       17.14920 19.29886 8.884468 20.90978 7.060958 -1.610920      11.34861 
1 1 1 -6  36 19 f 29.30955 5.199006 45.32323       14.36928 88.74000       41.15293 39.29498       15.33442 37.90040 10.65272 26.96625 5.967580 10.93415       12.21035 
1 1 1 -6  36 20 f 49.85605 3.504594 125.1049       16.99363 59.73000       44.03435 136.5451       18.42062 31.42802 11.26981 52.04051 3.639169 -20.61249      11.84281 
1 1 1 -6  36 21 o 32.81744 9.333980 63.95575       31.40401 63.81000       42.55760 64.13000       46.53199 32.16465 11.11671 32.18893 11.57980 -0.2427292E-01 16.05220 
1 1 1 -6  36 22 o 37.38649 9.009089 82.24926       32.57759 51.29000       43.97702 119.9000       48.49728 29.63454 11.15271 43.34479 11.31237 -13.71025      15.88561 
1 1 1 -6  36 23 o 51.47997 10.26833 161.0000       49.92690 161.0000       49.92690 0.000000       0.000000 51.47997 10.26833 ?        ?        ?              ?        
1 1 1 -6  36 24 o 24.26118 9.236575 29.96315       30.36925 55.63000       42.65889 3.587000       43.24432 30.20408 11.05535 22.23959 9.889965 7.964491       14.83348 
1 1 1 -6  36 25 o 40.58519 8.609932 96.04101       33.14285 11.55000       47.63830 175.3000       46.13976 23.89723 10.51478 54.91481 8.887255 -31.01758      13.76749 
1 1 1 -6  36 26 o 44.97964 10.48585 126.9000       45.31118 0.000000       0.000000 126.9000       45.31118 ?        ?        44.97964 10.48585 ?              ?        
1 1 1 -6  36 27 o 24.94760 9.249203 34.22264       30.01959 18.58000       42.96705 49.14000       41.95913 23.83840 10.23976 28.60353 10.86468 -4.765127      14.92964 
1 1 1 -6  36 28 o 42.78927 7.855037 105.1145       31.68748 114.7000       45.31194 95.94000       44.32993 41.83530 10.94248 37.86874 11.18579 3.966560       15.64799 
1 1 1 -6  36 29 o 15.07166 7.141215 -24.20270      28.14503 -26.17000      40.08611 -22.29000      39.52598 18.17294 8.584314 18.38838 8.635777 -0.2154408     12.17650 
1 1 1 -6  36 30 o 33.29952 9.238862 68.53661       31.17021 91.16000       44.59693 46.93000       43.58321 36.58983 11.30986 27.96722 10.95198 8.622610       15.74353 
1 1 1 -6  36 31 o 24.79648 9.189575 34.43826       29.62850 28.35000       41.49624 40.77000       42.31789 24.82907 10.33089 26.88643 10.70901 -2.057360      14.87986 
1 1 1 -6  36 32 o 31.55118 11.27492 67.23000       44.03410 0.000000       0.000000 67.23000       44.03410 ?        ?        31.55118 11.27492 ?              ?        
1 1 1 -6  36 33 o 33.41952 11.32058 76.67000       44.08258 76.67000       44.08258 0.000000       0.000000 33.41952 11.32058 ?        ?        ?              ?        
1 1 1 -6  36 34 o 31.66199 11.32619 68.41000       44.44731 68.41000       44.44731 0.000000       0.000000 31.66199 11.32619 ?        ?        ?              ?        
1 1 1 -6  36 35 o 18.40367 8.235816 -1.144257      30.48551 -1.645000      42.11925 -0.5933000     44.18064 20.86430 9.476352 21.35578 9.701898 -0.4914799     13.56201 
1 1 1 -6  36 36 o 21.44279 9.743141 0.7913000E-01  44.58129 0.000000       0.000000 0.7913000E-01  44.58129 ?        ?        21.44279 9.743141 ?              ?        
1 1 1 -6  36 37 o 14.45217 6.956573 -32.43327      29.03802 -38.05000      39.96204 -26.15000      42.26674 16.97741 8.169230 18.45464 8.746224 -1.477228      11.96799 
1 1 1 -6  36 38 o 17.41518 7.843229 -3.300555      28.13946 2.260000       38.40506 -9.746000      41.34813 20.47140 9.196012 19.74108 9.121958 0.7303200      12.95287 
1 1 1 -6  36 39 o 19.23449 8.310109 8.627783       28.61641 -15.93000      39.01286 37.23000       42.10300 18.52315 8.660522 25.64032 10.51107 -7.117176      13.61937 
1 1 1 -6  36 40 o 22.89271 8.957463 28.50521       29.13452 35.98000       40.10234 20.15000       42.39834 25.10928 10.27180 23.03068 10.03142 2.078600       14.35755 
1 1 1 -6  36 41 o 23.87380 9.150931 33.69089       29.94036 12.68000       40.62564 58.67000       44.29620 21.64625 9.608260 28.69903 11.09655 -7.052782      14.67828 
1 1 1 -6  37 1  o 60.99315 3.928746 187.4709       23.33056 252.5000       53.02188 171.8572       25.98090 67.84282 8.147263 58.07361 4.608315 9.769211       9.360259 
1 1 1 -6  37 2  o 47.44380 4.568060 114.9375       20.95182 127.2000       49.67612 112.2841       23.10769 45.65633 11.20153 46.63122 5.148201 -0.9748878     12.32795 
1 1 1 -6  37 3  o 18.62523 7.018261 14.82435       17.42712 32.29000       46.00202 11.89776       18.83067 27.25526 11.05679 18.20048 7.177208 9.054777       13.18199 
1 1 1 -6  37 4  o 26.02216 8.728241 36.89251       26.20593 68.99000       47.76458 23.06990       31.34480 33.73603 11.77050 23.45288 9.256337 10.28315       14.97413 
1 1 1 -6  37 5  o 44.30737 6.446838 104.4914       27.13996 86.31000       47.44374 113.3349       33.08855 37.19794 11.69144 45.43069 7.716593 -8.232758      14.00841 
1 1 1 -6  37 6  o 67.29061 3.603935 227.1080       23.65105 267.4000       55.14902 218.0275       26.18085 69.67996 8.245390 65.69883 4.091483 3.981133       9.204710 
1 1 1 -6  37 7  o 16.86387 6.747670 9.048180       16.87782 14.41000       43.68954 8.107630       18.29836 24.25244 10.36960 17.08278 6.957345 7.169651       12.48732 
1 1 1 -6  37 8  o 27.16041 7.534829 40.97759       20.73354 62.39000       45.19515 35.27000       23.33380 32.34350 11.43642 25.37902 8.223792 6.964479       14.08625 
1 1 1 -6  37 9  o 67.49339 3.637025 228.7343       23.93903 216.5000       54.08796 231.7148       26.69616 61.66691 9.245321 67.73130 4.045166 -6.064392      10.09155 
1 1 1 -6  37 10 o 33.53199 9.039517 65.26569       30.33920 24.20000       45.58159 97.93000       40.65245 25.82733 10.79308 40.37506 10.26535 -14.54773      14.89523 
1 1 1 -6  37 11 o 37.63260 5.722632 74.75514       20.41659 0.000000       0.000000 74.75514       20.41659 ?        ?        37.63260 5.722632 ?              ?        
1 1 1 -6  37 12 o 37.70107 4.972013 73.80537       17.90132 99.73000       46.20616 69.22697       19.41781 39.82463 11.32038 36.19310 5.666916 3.631531       12.65958 
1 1 1 -6  37 13 f 33.77445 5.462765 60.15387       17.44332 42.86000       45.46204 63.13935       18.88904 28.57869 11.18728 34.46777 5.804787 -5.889076      12.60361 
1 1 1 -6  37 14 o 20.97864 6.746949 23.30674       15.72451 0.4365000      42.83129 26.86942       16.90497 22.08239 9.829970 22.31406 6.973913 -0.2316704     12.05254 
1 1 1 -6  37 15 o 16.21214 6.231783 10.31763       13.91205 52.70000       42.65549 5.272629       14.71679 30.04096 11.04512 15.04409 6.195825 14.99687       12.66424 
1 1 1 -6  37 16 o 32.92874 7.168298 60.15382       22.44753 38.83000       44.73949 67.32793       25.95032 27.70424 11.01888 34.51049 7.858745 -6.806246      13.53424 
1 1 1 -6  37 17 o 20.52092 6.517300 22.37198       14.70777 -19.52000      42.66892 28.02050       15.66799 19.83139 9.199493 22.66043 6.638480 -2.829048      11.34461 
1 1 1 -6  37 18 o 24.41187 7.115421 33.04624       18.04015 38.47000       42.91427 31.88204       19.88225 27.35518 10.82000 24.02312 7.570980 3.332066       13.20576 
1 1 1 -6  37 19 o 67.50413 3.232218 228.3543       21.29480 222.8000       52.68243 229.4390       23.28150 62.20930 8.905489 67.51044 3.535494 -5.301136      9.581620 
1 1 1 -6  37 20 o 22.09733 8.987653 18.98711       30.48807 -5.061000      42.59927 44.24000       43.65332 21.15707 9.577808 28.22241 10.98704 -7.065342      14.57565 
1 1 1 -6  37 21 o 22.37027 8.964198 21.23533       29.83282 19.67000       41.67812 22.88000       42.72116 24.04380 10.19887 24.66094 10.38632 -0.6171417     14.55653 
1 1 1 -6  37 22 o 34.20396 11.18846 76.08000       43.13657 76.08000       43.13657 0.000000       0.000000 34.20396 11.18846 ?        ?        ?              ?        
1 1 1 -6  37 23 o 39.64879 8.236940 90.85667       30.92139 102.4000       43.23521 78.77000       44.24103 39.97514 10.79728 34.62134 11.33114 5.353798       15.65171 
1 1 1 -6  37 24 f 24.29608 10.21699 23.44000       41.23931 0.000000       0.000000 23.44000       41.23931 ?        ?        24.29608 10.21699 ?              ?        
1 1 1 -6  37 25 o 29.08780 9.373402 51.70289       30.33978 56.05000       43.11832 47.44000       42.69862 29.75707 11.07493 28.18324 10.89528 1.573822       15.53580 
1 1 1 -6  37 26 o 61.36327 6.022814 202.4132       35.70995 187.8000       49.78426 217.9000       51.25064 55.68798 9.472066 60.71035 8.887642 -5.022369      12.98885 
1 1 1 -6  37 27 o 25.15029 9.311340 35.95437       30.40511 -5.289000      42.33081 79.91000       43.70053 20.63452 9.421452 34.26474 11.26434 -13.63022      14.68499 
1 1 1 -6  37 28 o 19.74728 8.457457 9.377225       29.15118 34.13000       41.92543 -13.79000      40.56043 25.69073 10.50536 19.37646 8.981834 6.314278       13.82158 
1 1 1 -6  37 29 o 19.95182 8.490105 10.67625       29.04014 -19.76000      40.64073 42.43000       41.51102 18.83368 8.816628 27.05514 10.66017 -8.221458      13.83373 
1 1 1 -6  37 30 o 19.58579 8.363118 9.787742       28.34967 15.00000       39.04650 3.977000       41.22731 22.39308 9.690960 21.36048 9.566886 1.032598       13.61764 
1 1 1 -6  37 31 o 34.99473 8.919910 75.07405       30.64032 64.21000       42.25571 87.12000       44.49487 30.96106 11.04702 35.47603 11.34345 -4.514971      15.83385 
1 1 1 -6  37 32 o 29.69431 9.423428 55.43344       30.75393 63.30000       42.67049 46.93000       44.36419 30.68120 11.08220 27.72459 10.99010 2.956610       15.60761 
1 1 1 -6  37 33 o 36.84893 11.45827 95.13000       45.69727 95.13000       45.69727 0.000000       0.000000 36.84893 11.45827 ?        ?        ?              ?        
1 1 1 -6  37 34 o 32.57886 11.56662 74.76000       46.27013 0.000000       0.000000 74.76000       46.27013 ?        ?        32.57886 11.56662 ?              ?        
1 1 1 -6  37 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -6  37 36 o 27.22877 9.573183 46.31419       31.63412 55.35000       41.30151 33.49000       49.20364 28.95059 10.82632 25.82437 11.02211 3.126219       15.44979 
1 1 1 -6  37 37 o 14.82084 7.055445 -24.67413      28.11798 -14.47000      38.07835 -36.91000      41.69727 18.44845 8.602657 17.35095 8.347882 1.097500       11.98720 
1 1 1 -6  37 38 o 30.57060 9.346147 60.63383       30.55796 67.81000       41.57319 52.20000       45.06915 30.93289 10.96566 27.93284 11.07566 3.000053       15.58576 
1 1 1 -6  37 39 o 25.59562 9.283885 41.24647       29.98587 21.38000       40.50375 65.34000       44.60516 22.79335 9.867155 29.92696 11.23862 -7.133612      14.95551 
1 1 1 -6  37 40 o 26.78633 9.356299 46.65240       30.18523 80.36000       41.67883 9.469000       43.77500 33.09864 11.00550 21.67436 9.770096 11.42428       14.71651 
1 1 1 -6  38 1  o 56.01704 4.090752 159.1151       22.27539 185.6000       47.71016 151.7325       25.18941 57.21220 8.801157 54.35086 4.783601 2.861336       10.01715 
1 1 1 -6  38 2  o 52.45612 4.837493 141.5708       24.55874 89.92000       46.47090 161.5862       28.92842 37.64167 11.52889 55.76415 5.366019 -18.12249      12.71651 
1 1 1 -6  38 3  o 12.75956 5.880853 -10.84441      17.02762 21.85000       39.01816 -18.53576      18.92480 24.32625 10.06039 12.50478 5.904260 11.82147       11.66498 
1 1 1 -6  38 4  o 40.96655 4.954733 86.99806       19.46489 48.55000       42.03624 97.49197       21.96116 29.30161 10.92927 43.22863 5.300944 -13.92702      12.14697 
1 1 1 -6  38 5  o 37.59692 7.224506 77.87235       25.62099 116.0000       42.45895 56.03885       32.13002 44.00210 10.07558 30.82455 9.611528 13.17755       13.92476 
1 1 1 -6  38 6  o 43.00180 8.188955 104.1993       33.20994 84.40000       43.45537 132.0000       51.49286 36.69122 11.13094 45.72961 11.51314 -9.038395      16.01406 
1 1 1 -6  38 7  f 69.36607 4.078045 243.7030       27.56672 285.0000       53.02958 228.4109       32.26950 72.15004 7.624058 66.59555 4.986614 5.554489       9.110026 
1 1 1 -6  38 8  o 50.52252 6.600294 137.0219       31.86063 119.0000       46.32381 153.2000       43.89010 43.86629 10.84961 51.63124 9.012243 -7.764942      14.10442 
1 1 1 -6  38 9  o 35.73603 6.270441 68.77741       21.13409 0.000000       0.000000 68.77741       21.13409 ?        ?        35.73603 6.270441 ?              ?        
1 1 1 -6  38 10 o 22.35145 7.125499 27.00714       17.56726 0.000000       0.000000 27.00714       17.56726 ?        ?        22.35145 7.125499 ?              ?        
1 1 1 -6  38 11 o 40.34282 4.790252 84.24583       18.54723 115.9000       45.00579 77.77013       20.35618 43.31241 10.68326 38.37625 5.582680 4.936161       12.05398 
1 1 1 -6  38 12 o 63.75625 3.534346 204.4770       21.97026 181.2000       50.39908 209.9382       24.41188 55.53169 9.620399 64.42200 3.889452 -8.890312      10.37689 
1 1 1 -6  38 13 f 14.68955 6.144993 3.862920       14.79828 14.72000       40.68220 2.207283       15.88658 23.36651 9.998944 14.72135 6.272476 8.645163       11.80351 
1 1 1 -6  38 14 o 39.26688 4.653747 79.75065       17.53957 106.2000       43.92693 74.73396       19.13077 41.15961 10.77795 37.68574 5.335204 3.473877       12.02616 
1 1 1 -6  38 15 o 58.86824 3.529216 174.6152       20.24263 150.4000       47.79654 179.9079       22.34561 49.80933 10.14837 59.59515 3.851294 -9.785820      10.85458 
1 1 1 -6  38 16 o 46.66129 5.265892 114.0625       23.63146 175.1000       46.41239 92.70083       27.45704 54.91056 8.942647 40.93910 7.109674 13.97146       11.42447 
1 1 1 -6  38 17 o 33.89037 5.190647 60.59948       16.67136 97.75000       42.29509 53.76572       18.14000 39.26988 10.70983 31.46171 6.110762 7.808170       12.33052 
1 1 1 -6  38 18 o 65.53641 4.071535 218.7307       25.98943 143.1000       47.76357 250.5413       30.97656 47.97286 10.46673 69.81758 4.557670 -21.84472      11.41599 
1 1 1 -6  38 19 o 38.10082 4.393931 74.99473       16.08699 17.39000       40.46472 85.80829       17.53201 23.40929 9.993526 40.74845 4.468788 -17.33916      10.94717 
1 1 1 -6  38 20 o 33.13199 10.93385 70.94000       41.15955 70.94000       41.15955 0.000000       0.000000 33.13199 10.93385 ?        ?        ?              ?        
1 1 1 -6  38 21 o 22.75388 8.975141 24.39211       29.45362 6.971000       39.49545 46.22000       44.20944 21.69661 9.559231 28.15435 11.02887 -6.457737      14.59503 
1 1 1 -6  38 22 o 34.03014 8.878417 70.02549       29.87976 80.11000       41.01459 58.62000       43.61821 34.84991 10.85828 30.21553 11.15867 4.634373       15.56978 
1 1 1 -6  38 23 o 23.11626 10.01125 16.24000       41.73154 0.000000       0.000000 16.24000       41.73154 ?        ?        23.11626 10.01125 ?              ?        
1 1 1 -6  38 24 o 29.70552 9.235280 54.45290       29.68758 28.33000       40.71456 84.11000       43.38139 24.68457 10.24877 35.19411 11.19481 -10.50954      15.17765 
1 1 1 -6  38 25 o 32.21055 9.175386 64.41919       30.32287 30.16000       42.16930 101.1000       43.63424 25.03024 10.41444 38.76268 10.99490 -13.73244      15.14425 
1 1 1 -6  38 26 o 49.37376 7.155121 136.9386       33.57299 157.6000       48.28450 117.6000       46.71324 49.88380 10.23231 41.76366 11.19834 8.120144       15.16915 
1 1 1 -6  38 27 o 25.01514 9.250400 35.73624       29.99271 -7.271000      42.14927 79.85000       42.68805 20.33514 9.328411 34.25304 11.12512 -13.91790      14.51852 
1 1 1 -6  38 28 o 16.85237 7.682565 -7.651382      28.00610 24.39000       38.90854 -42.10000      40.34365 23.68304 9.939438 16.82455 8.123747 6.858486       12.83697 
1 1 1 -6  38 29 o 23.77256 9.071128 30.80093       29.33326 8.757000       39.89930 56.73000       43.27273 21.64358 9.568769 29.39469 11.06292 -7.751112      14.62701 
1 1 1 -6  38 30 o 37.20887 8.820975 84.63699       31.63478 94.06000       44.23221 74.77000       45.26223 36.82249 11.24197 32.66422 11.45367 4.158272       16.04893 
1 1 1 -6  38 31 o 18.46861 8.686351 -21.09000      40.25086 -21.09000      40.25086 0.000000       0.000000 18.46861 8.686351 ?        ?        ?              ?        
1 1 1 -6  38 32 o 36.82584 9.214423 84.72567       33.13032 100.7000       45.04431 65.90000       48.89944 38.02117 11.28697 30.74253 11.71657 7.278633       16.26880 
1 1 1 -6  38 33 o 32.97895 9.390263 69.43922       31.76646 78.84000       44.72641 59.87000       45.12536 33.25862 11.40029 29.63193 11.26437 3.626692       16.02662 
1 1 1 -6  38 34 o 32.26160 9.481490 66.84719       31.91790 62.71000       45.69170 70.79000       44.60537 30.10138 11.35940 31.66164 11.34395 -1.560253      16.05369 
1 1 1 -6  38 35 o 19.58171 8.394053 10.70211       28.76313 -15.55000      38.48822 43.91000       43.28790 18.41692 8.607991 26.70916 10.76495 -8.292236      13.78338 
1 1 1 -6  38 36 o 26.67876 10.79980 44.66000       43.78104 0.000000       0.000000 44.66000       43.78104 ?        ?        26.67876 10.79980 ?              ?        
1 1 1 -6  38 37 f 19.97698 8.574401 12.70508       30.08347 14.48000       41.16226 10.67000       44.07594 21.98051 9.718321 21.93373 9.852356 0.4677773E-01  13.83888 
1 1 1 -6  38 38 o 35.08720 11.29524 92.50000       44.06385 92.50000       44.06385 0.000000       0.000000 35.08720 11.29524 ?        ?        ?              ?        
1 1 1 -6  39 1  o 61.28882 3.888799 190.1523       23.20906 154.6000       48.22159 200.8709       26.47756 50.75636 10.06174 62.74797 4.337635 -11.99161      10.95690 
1 1 1 -6  39 2  o 34.42031 5.884752 63.40484       19.11477 21.86000       41.35086 74.69469       21.55610 24.50570 10.26314 37.30099 6.115716 -12.79529      11.94713 
1 1 1 -6  39 3  o 23.88637 7.068062 31.53727       17.68688 -3.280000      38.77330 40.68581       19.87520 20.61762 9.252589 26.91558 7.342106 -6.297951      11.81173 
1 1 1 -6  39 4  o 31.97579 6.138034 55.29892       18.51295 89.27000       41.17323 46.69053       20.72626 37.77581 10.66855 28.82105 7.330874 8.954754       12.94448 
1 1 1 -6  39 5  f 20.52874 8.653716 10.80803       29.69923 12.85000       39.09338 8.021000       45.67185 22.78856 9.777684 23.35637 10.28544 -0.5678139     14.19131 
1 1 1 -6  39 6  o 25.58540 10.36712 29.84000       40.38733 29.84000       40.38733 0.000000       0.000000 25.58540 10.36712 ?        ?        ?              ?        
1 1 1 -6  39 7  o 22.69581 8.285226 26.30253       23.93552 72.11000       40.57274 1.849881       29.64348 33.85122 10.83281 19.03469 8.337276 14.81653       13.66967 
1 1 1 -6  39 8  o 48.05497 4.761746 119.3488       22.10385 0.000000       0.000000 119.3488       22.10385 ?        ?        48.05497 4.761746 ?              ?        
1 1 1 -6  39 9  o 36.62509 5.566251 71.18970       19.32755 83.67000       43.35692 68.09458       21.59156 36.06499 11.15218 35.33777 6.480975 0.7272224      12.89861 
1 1 1 -6  39 10 o 38.72942 4.786975 78.01074       17.76127 98.92000       42.40031 73.56091       19.56012 39.55004 10.69683 37.23536 5.534812 2.314678       12.04393 
1 1 1 -6  39 11 o 22.38546 6.816951 27.54018       16.27794 9.904000       40.05018 31.03004       17.81584 22.39642 9.752494 23.61979 7.118916 -1.223373      12.07436 
1 1 1 -6  39 12 o 46.82952 4.188597 112.2438       18.99719 77.49000       43.63145 120.3734       21.10244 34.53059 11.24969 48.34163 4.511804 -13.81104      12.12072 
1 1 1 -6  39 13 o 42.16982 4.338074 91.50500       17.65113 72.83000       41.00951 95.75136       19.55520 33.68264 10.90142 42.95359 4.729279 -9.270947      11.88305 
1 1 1 -6  39 14 o 32.41243 5.300845 55.83181       16.23678 51.11000       39.01202 56.82110       17.85687 29.05552 10.58196 32.44570 5.837269 -3.390179      12.08518 
1 1 1 -6  39 15 o 36.71381 6.430833 73.75727       22.26842 76.65000       40.78145 72.52834       26.58099 34.40570 10.84302 35.52143 7.853841 -1.115723      13.38858 
1 1 1 -6  39 16 o 41.57285 4.335428 89.08662       17.38305 65.85000       41.27697 94.09613       19.16545 31.99625 10.95232 42.56533 4.676946 -10.56908      11.90912 
1 1 1 -6  39 17 o 17.17978 7.096010 8.346333       19.37889 7.367000       37.91263 8.692698       22.54686 21.43942 9.408525 18.13978 7.586452 3.299643       12.08613 
1 1 1 -6  39 18 o 20.84956 7.367063 22.82125       18.75163 22.25000       39.41306 22.98839       21.31913 23.74449 9.986804 21.22176 7.807496 2.522728       12.67648 
1 1 1 -6  39 19 o 25.15169 6.504406 35.49248       16.13164 -7.169000      39.38182 44.09386       17.68325 19.85900 9.074966 28.04375 6.559494 -8.184742      11.19741 
1 1 1 -6  39 20 o 40.59928 8.125466 96.43021       31.16253 85.41000       43.10175 108.5000       45.10759 35.48269 11.14240 40.21392 11.09756 -4.731236      15.72605 
1 1 1 -6  39 21 o 48.29620 10.45820 149.4000       48.00538 0.000000       0.000000 149.4000       48.00538 ?        ?        48.29620 10.45820 ?              ?        
1 1 1 -6  39 22 o 23.99988 10.28480 22.50000       43.15549 0.000000       0.000000 22.50000       43.15549 ?        ?        23.99988 10.28480 ?              ?        
1 1 1 -6  39 23 o 28.12532 9.406611 48.99249       30.44026 61.19000       41.51543 34.81000       44.76617 30.37964 10.93667 25.91281 10.75161 4.466824       15.33649 
1 1 1 -6  39 24 o 21.96323 8.828589 21.99342       29.03208 66.13000       40.55090 -24.42000      41.58369 31.47427 10.85265 18.56188 8.760512 12.91239       13.94728 
1 1 1 -6  39 25 o 16.29583 7.511598 -11.45779      27.79201 -2.378000      38.62994 -21.20000      40.01428 20.05318 9.095050 18.43508 8.667518 1.618109       12.56367 
1 1 1 -6  39 26 o 21.00300 8.636283 17.85183       28.53441 -13.83000      38.99727 54.36000       41.86240 18.89309 8.774717 28.91889 10.88173 -10.02580      13.97883 
1 1 1 -6  39 27 o 23.17325 9.109274 27.84043       30.24895 13.56000       43.19741 41.58000       42.37149 22.69604 9.998473 26.62397 10.67825 -3.927933      14.62855 
1 1 1 -6  39 28 o 38.38306 8.664371 89.49358       31.77815 112.6000       44.69912 65.88000       45.18702 40.72441 10.96946 30.87847 11.36558 9.845947       15.79574 
1 1 1 -6  39 29 o 15.86334 7.441042 -18.41527      29.19529 -21.92000      40.86107 -14.76000      41.72936 18.49298 8.714544 19.33341 9.012094 -0.8404350     12.53639 
1 1 1 -6  39 30 o 16.22447 7.911398 -51.26000      40.81584 -51.26000      40.81584 0.000000       0.000000 16.22447 7.911398 ?        ?        ?              ?        
1 1 1 -6  39 31 o 25.52423 9.403196 39.32420       30.94160 57.76000       42.79488 19.13000       44.78927 29.21784 11.00052 23.42183 10.25379 5.796015       15.03834 
1 1 1 -6  39 32 o 23.38279 10.15796 20.42000       43.23520 0.000000       0.000000 20.42000       43.23520 ?        ?        23.38279 10.15796 ?              ?        
1 1 1 -6  39 33 o 15.68089 7.326453 -15.50430      27.83866 -11.40000      37.65813 -20.45000      41.33833 18.61627 8.638109 18.55231 8.749480 0.6396675E-01  12.29513 
1 1 1 -6  39 34 o 32.76463 9.093251 68.81387       30.19033 73.33000       41.13340 63.54000       44.45040 32.03897 10.93411 29.82137 11.21482 2.217600       15.66292 
1 1 1 -6  39 35 o 24.76623 9.174716 37.78765       29.52744 19.93000       40.19544 58.72000       43.51846 22.52411 9.789557 28.73979 11.02834 -6.215675      14.74651 
1 1 1 -6  39 36 o 36.08657 8.964954 83.94672       31.52509 126.2000       43.46561 37.05000       45.79171 42.64912 10.48650 25.11287 10.67284 17.53625       14.96249 
1 1 1 -6  39 37 o 25.57658 9.284084 42.63266       29.99483 36.02000       40.36105 50.79000       44.82791 24.51791 10.19395 26.91347 10.91601 -2.395559      14.93572 
1 1 1 -6  40 1  o 18.65689 7.058606 15.61503       17.66869 -8.553000      38.95054 21.87650       19.82582 19.86682 9.058085 20.83531 7.550131 -0.9684906     11.79209 
1 1 1 -6  40 2  o 17.95889 6.946358 13.38468       17.36287 43.86000       38.77168 5.739843       19.41890 27.68405 10.46018 16.68135 7.012683 11.00270       12.59338 
1 1 1 -6  40 3  o 16.58352 7.573689 -10.17116      27.37687 -53.33000      37.11085 41.36000       40.55095 15.44888 7.535530 27.32642 10.60306 -11.87754      13.00804 
1 1 1 -6  40 4  o 43.72578 5.391668 100.8503       22.58814 82.07000       42.52999 108.2293       26.65889 35.53993 11.05450 44.78682 6.251231 -9.246891      12.69960 
1 1 1 -6  40 5  o 30.89099 6.209692 52.17736       18.12438 35.54000       39.95445 56.48796       20.33724 26.21755 10.41772 31.90552 6.724456 -5.687967      12.39948 
1 1 1 -6  40 6  o 17.92152 6.834542 13.93640       16.64548 5.133000       39.77637 15.80537       18.32743 21.62664 9.557982 18.83327 7.174112 2.793367       11.95085 
1 1 1 -6  40 7  o 37.77205 8.588994 83.96735       31.03500 0.000000       0.000000 83.96735       31.03500 ?        ?        37.77205 8.588994 ?              ?        
1 1 1 -6  40 8  o 27.77505 6.312207 42.61818       16.77014 80.21000       39.35538 34.27789       18.53737 35.35530 10.56351 24.63681 7.221732 10.71849       12.79614 
1 1 1 -6  40 9  o 32.79958 5.921924 58.30117       18.31295 33.92000       40.02725 64.75560       20.59478 25.82446 10.37139 34.36979 6.355776 -8.545338      12.16395 
1 1 1 -6  40 10 o 43.94331 4.671471 100.2761       19.78580 56.62000       41.62830 113.0164       22.48833 30.05386 10.93321 46.47460 5.023240 -16.42074      12.03196 
1 1 1 -6  40 11 o 34.12046 5.424400 62.09296       17.51071 41.45000       40.16023 66.93874       19.45771 27.12935 10.54483 35.22888 5.847634 -8.099524      12.05770 
1 1 1 -6  40 12 o 20.67216 6.759400 23.09258       15.74494 -19.35000      38.63902 31.54323       17.24130 18.53355 8.650100 23.69140 6.970144 -5.157845      11.10888 
1 1 1 -6  40 13 o 13.90791 5.965017 1.558363       14.53919 28.81000       37.56784 -3.242377      15.76791 24.54284 9.978822 13.39759 5.964088 11.14525       11.62528 
1 1 1 -6  40 14 o 15.20581 6.303114 5.649032       15.36509 22.52000       38.19367 2.391410       16.78308 23.54453 9.862276 14.95334 6.411019 8.591183       11.76289 
1 1 1 -6  40 15 o 49.34474 5.055421 128.0528       24.07286 141.1000       44.80668 122.7586       28.54208 47.51256 9.953719 47.42730 6.304232 0.8526611E-01  11.78218 
1 1 1 -6  40 16 o 24.00770 6.602058 32.52201       15.99599 57.93000       40.77710 27.90108       17.38986 29.83444 10.82558 22.29863 7.087236 7.535810       12.93917 
1 1 1 -6  40 17 o 50.42401 5.658315 136.1827       27.44617 179.1000       47.23006 114.3000       33.72510 54.42205 9.193329 44.27031 8.080426 10.15174       12.23971 
1 1 1 -6  40 18 o 43.38649 6.267636 103.2474       25.84676 77.67000       43.30594 117.4000       32.21344 33.58426 11.21951 45.29097 7.530744 -11.70671      13.51257 
1 1 1 -6  40 19 o 33.22085 5.102569 58.88133       16.06253 67.00000       42.34823 57.51706       17.35973 31.39654 11.07315 32.53159 5.656969 -1.135048      12.43447 
1 1 1 -6  40 20 o 34.72424 11.14111 83.05000       42.89443 0.000000       0.000000 83.05000       42.89443 ?        ?        34.72424 11.14111 ?              ?        
1 1 1 -6  40 21 o 22.12111 8.817952 23.21106       28.71440 23.12000       40.85053 23.30000       40.37032 23.75067 10.08673 23.71563 10.04767 0.3504181E-01  14.23720 
1 1 1 -6  40 22 o 27.54256 9.151522 46.85461       28.82044 63.48000       40.14331 29.17000       41.40236 30.74439 10.78610 24.61735 10.28684 6.127041       14.90500 
1 1 1 -6  40 23 o 35.00741 8.865374 75.61241       30.40510 26.29000       41.26430 134.2000       44.97334 24.13231 10.18805 45.43629 10.34490 -21.30398      14.51941 
1 1 1 -6  40 24 o 19.83709 8.382563 12.34475       27.97758 28.72000       38.80587 -5.380000      40.37322 24.21699 10.02574 19.99709 9.157060 4.219896       13.57819 
1 1 1 -6  40 25 o 15.93382 7.397862 -13.72282      27.68401 -15.45000      37.73653 -11.71000      40.73769 18.37378 8.566546 19.39863 8.995339 -1.024849      12.42183 
1 1 1 -6  40 26 o 23.54840 9.090499 30.23566       29.69331 36.98000       41.39886 23.09000       42.61280 25.71128 10.46731 23.76625 10.20294 1.945034       14.61727 
1 1 1 -6  40 27 o 25.38414 9.306115 38.48979       30.24623 18.53000       41.64162 60.78000       44.00547 23.01063 9.982829 29.84577 11.17223 -6.835135      14.98251 
1 1 1 -6  40 28 o 27.27096 9.592886 47.02040       31.76732 64.89000       43.48529 26.57000       46.51960 30.50612 11.16256 24.53987 10.59880 5.966251       15.39277 
1 1 1 -6  40 29 o 22.94732 9.900586 20.19000       40.50892 20.19000       40.50892 0.000000       0.000000 22.94732 9.900586 ?        ?        ?              ?        
1 1 1 -6  40 30 o 20.44357 8.556602 15.67802       28.71574 6.804000       39.19530 25.96000       42.19026 21.00423 9.373280 23.94218 10.21221 -2.937952      13.86173 
1 1 1 -6  40 31 o 19.80104 9.154553 -7.244000      41.72559 0.000000       0.000000 -7.244000      41.72559 ?        ?        19.80104 9.154553 ?              ?        
1 1 1 -6  40 32 o 19.42380 8.366097 10.54082       28.82965 4.867000       39.39934 17.08000       42.29732 20.60071 9.279053 22.51473 9.907104 -1.914019      13.57393 
1 1 1 -6  40 33 o 14.82490 7.047491 -22.34804      27.85719 -23.83000      38.50209 -20.72000      40.35524 17.42881 8.285332 18.09478 8.566967 -0.6659679     11.91804 
1 1 1 -6  40 34 o 33.30025 9.128352 72.89725       30.63557 93.34000       42.38758 50.54000       44.32800 35.44046 11.03794 26.98675 10.88760 8.453712       15.50406 
1 1 1 -6  40 35 f 41.32806 8.193126 105.5182       31.97227 94.44000       43.60427 118.4000       47.01992 35.18353 11.22715 39.41030 11.48748 -4.226768      16.06273 
1 1 1 -6  41 1  o 66.97110 4.232018 229.9348       27.60034 181.1000       50.24546 251.0379       33.02983 54.43099 9.790646 69.46950 4.888638 -15.03851      10.94329 
1 1 1 -6  41 2  o 82.82883 3.547054 346.7378       28.69121 351.8000       58.11628 345.1064       32.99205 79.13577 7.595885 82.18732 4.114162 -3.051559      8.638507 
1 1 1 -6  41 3  o 28.19909 7.377073 45.70728       20.59204 22.71000       41.04220 53.44400       23.80514 24.01333 10.15034 30.20836 7.945833 -6.195032      12.89053 
1 1 1 -6  41 4  o 32.42086 6.240079 57.82760       19.08391 86.62000       41.74645 50.22112       21.45716 36.16648 10.89665 29.53372 7.430031 6.632765       13.18872 
1 1 1 -6  41 5  o 15.28457 6.659091 0.6383504      18.69299 0.000000       0.000000 0.6383504      18.69299 ?        ?        15.28457 6.659091 ?              ?        
1 1 1 -6  41 6  o 33.92973 6.355911 63.51554       20.33335 0.000000       0.000000 63.51554       20.33335 ?        ?        33.92973 6.355911 ?              ?        
1 1 1 -6  41 7  o 14.46948 6.219867 1.789569       15.87496 -12.81000      36.61889 5.168397       17.61644 18.60936 8.593847 15.85036 6.672261 2.759003       10.87995 
1 1 1 -6  41 8  o 19.85586 7.924006 16.46879       23.21378 19.37000       36.75634 14.54378       29.94059 22.77362 9.615002 20.80589 8.724662 1.967726       12.98337 
1 1 1 -6  41 9  o 28.17643 6.160573 44.02440       16.51600 36.98000       38.40931 45.62238       18.29362 25.85042 10.23270 28.42703 6.687107 -2.576611      12.22397 
1 1 1 -6  41 10 o 48.44051 4.546482 122.0245       21.30513 81.89000       43.16871 134.9481       24.49632 34.57190 11.18435 50.65115 5.006295 -16.07925      12.25368 
1 1 1 -6  41 11 o 37.53874 5.061706 74.72388       18.12520 94.13000       41.61824 70.18159       20.13501 37.50763 10.77029 35.86005 5.944401 1.647575       12.30183 
1 1 1 -6  41 12 o 34.30404 5.402839 63.22467       17.54207 23.80000       41.66645 71.71823       19.33959 23.98199 10.18604 36.46208 5.597320 -12.48009      11.62263 
1 1 1 -6  41 13 o 24.59461 8.115999 35.27752       22.67830 7.233000       40.75631 47.85495       27.29399 21.61673 9.607800 27.96564 8.877851 -6.348909      13.08152 
1 1 1 -6  41 14 o 17.32996 6.685400 13.04002       16.05179 -16.33000      39.85760 18.72571       17.53681 18.84094 8.790876 19.29714 7.084205 -0.4562035     11.29006 
1 1 1 -6  41 15 o 30.05014 7.602787 53.04309       22.37632 66.25000       42.81656 48.08068       26.24565 31.12854 11.11862 28.04192 8.677738 3.086624       14.10414 
1 1 1 -6  41 16 o 24.79785 7.049973 35.38560       17.91928 45.51000       41.61696 33.08138       19.85396 27.29232 10.69782 23.91707 7.569232 3.375256       13.10483 
1 1 1 -6  41 17 o 23.72128 7.725058 32.45012       20.57523 48.22000       41.20373 27.21160       23.74800 27.78950 10.71355 22.39811 8.240257 5.391382       13.51599 
1 1 1 -6  41 18 o 16.03883 7.109280 -1.048402      22.16407 0.000000       0.000000 -1.048402      22.16407 ?        ?        16.03883 7.109280 ?              ?        
1 1 1 -6  41 19 o 21.18399 6.831381 25.07542       16.11326 0.000000       0.000000 25.07542       16.11326 ?        ?        21.18399 6.831381 ?              ?        
1 1 1 -6  41 20 o 26.43616 9.262410 42.86614       29.59638 115.8000       41.92163 -29.61000      41.78988 42.07334 10.27063 18.03007 8.588313 24.04327       13.38824 
1 1 1 -6  41 21 o 31.29869 9.128087 61.79223       29.68151 11.78000       41.34094 115.0000       42.64123 22.09554 9.755618 41.63749 10.47366 -19.54195      14.31326 
1 1 1 -6  41 22 o 47.61118 7.087628 128.6318       32.02510 88.77000       44.26822 172.4000       46.38666 35.35653 11.31550 52.77900 9.319616 -17.42247      14.65932 
1 1 1 -6  41 23 o 28.50207 9.286156 51.38918       29.72951 9.946000       41.41243 95.46000       42.70510 21.84856 9.699306 37.10825 10.98345 -15.25969      14.65308 
1 1 1 -6  41 24 f 25.93131 9.196671 41.10060       29.24468 49.55000       41.18792 32.51000       41.53066 27.75537 10.70856 24.93337 10.35143 2.821997       14.89380 
1 1 1 -6  41 25 o 19.05023 8.280816 7.193031       28.76847 10.56000       39.98873 3.581000       41.41845 21.64744 9.574556 21.05245 9.495378 0.5949917      13.48460 
1 1 1 -6  41 26 o 17.38181 7.847694 -3.124411      28.37406 -5.892000      39.13457 -0.5714000E-01 41.19892 19.50962 8.964055 20.52889 9.342860 -1.019270      12.94771 
1 1 1 -6  41 27 o 26.87424 10.58040 45.77000       40.86318 45.77000       40.86318 0.000000       0.000000 26.87424 10.58040 ?        ?        ?              ?        
1 1 1 -6  41 28 o 17.00730 7.699313 -4.076920      27.52908 -37.82000      36.72529 39.20000       41.59116 16.04176 7.747032 25.78002 10.49298 -9.738264      13.04297 
1 1 1 -6  41 29 o 23.19788 10.04807 22.53000       42.05145 0.000000       0.000000 22.53000       42.05145 ?        ?        23.19788 10.04807 ?              ?        
1 1 1 -6  41 30 o 44.20123 7.649643 115.6336       31.89877 86.53000       43.52644 149.4000       46.88377 34.15730 11.24252 46.93870 10.47078 -12.78140      15.36332 
1 1 1 -6  41 31 o 31.15998 9.295056 64.40965       30.49027 42.33000       41.56213 90.14000       44.86674 25.75974 10.48760 34.38126 11.41824 -8.621519      15.50374 
1 1 1 -6  41 32 o 13.95402 6.735702 -30.08605      27.68461 -15.58000      37.74310 -46.98000      40.73133 17.83737 8.396281 16.06859 7.850126 1.768776       11.49443 
1 1 1 -6  41 33 o 27.02254 9.343549 49.22581       30.06539 45.60000       41.03047 53.43000       44.18199 25.91879 10.46837 27.16592 10.90111 -1.247133      15.11360 
1 1 1 -6  42 1  o 33.68381 7.928315 67.01775       25.70286 0.000000       0.000000 67.01775       25.70286 ?        ?        33.68381 7.928315 ?              ?        
1 1 1 -6  42 2  o 20.56786 7.584633 21.79763       20.13906 -20.08000      39.48899 36.51840       23.41263 18.42088 8.644924 24.93322 8.247121 -6.512344      11.94779 
1 1 1 -6  42 3  o 24.72579 7.673678 35.60067       20.50659 27.32000       39.71055 38.61189       23.94661 24.20720 10.09186 25.52277 8.335447 -1.315571      13.08913 
1 1 1 -6  42 4  o 25.29774 7.643896 37.41082       20.52183 0.000000       0.000000 37.41082       20.52183 ?        ?        25.29774 7.643896 ?              ?        
1 1 1 -6  42 5  o 22.05862 7.091241 27.40484       17.37157 45.83000       38.83632 22.79627       19.42297 27.27745 10.43046 20.74457 7.479007 6.532881       12.83472 
1 1 1 -6  42 6  o 49.04391 4.278586 124.5139       20.33416 144.5000       45.61367 119.5570       22.71625 47.53346 10.11463 47.62334 4.945065 -0.8987808E-01 11.25875 
1 1 1 -6  42 7  o 30.83271 6.220774 52.92237       18.12598 7.326000       42.28255 63.18834       20.06300 21.79380 9.729867 33.70440 6.313334 -11.91060      11.59864 
1 1 1 -6  42 8  o 13.66539 5.992065 -0.6161667     15.34960 -39.50000      39.77336 6.188675       16.63860 16.81554 8.106123 15.66902 6.532403 1.146520       10.41064 
1 1 1 -6  42 9  o 30.14570 8.124308 54.67741       24.51105 65.63000       41.47343 48.79830       30.38558 31.00262 10.95605 27.89811 9.398849 3.104519       14.43515 
1 1 1 -6  42 10 o 16.38874 6.461044 10.56134       15.25657 11.50000       38.74234 10.38906       16.59770 21.70303 9.517956 16.71180 6.689875 4.991238       11.63383 
1 1 1 -6  42 11 o 40.88280 5.419756 89.68761       21.15460 76.71000       42.13824 94.06051       24.46040 33.27608 11.06603 41.31707 6.242731 -8.040985      12.70546 
1 1 1 -6  42 12 f 15.82399 6.505304 7.392659       16.18558 15.47000       38.05115 5.608347       17.88417 22.15288 9.576809 15.94097 6.717285 6.211906       11.69774 
1 1 1 -6  42 13 o 21.63955 6.905363 26.29645       16.49535 48.71000       39.56110 21.57973       18.14819 27.76470 10.54881 20.21169 7.236490 7.553015       12.79235 
1 1 1 -6  42 14 o 15.55243 6.637073 4.012026       17.83696 0.4630000      39.33430 4.930756       20.01294 20.40070 9.222525 16.43114 7.021662 3.969557       11.59132 
1 1 1 -6  42 15 o 22.25551 7.326356 28.17590       18.48397 22.56000       39.86082 29.71428       20.86261 23.30407 9.932732 22.79360 7.786813 0.5104733      12.62116 
1 1 1 -6  42 16 o 46.54398 4.260072 112.3959       19.19327 112.3000       44.57802 112.4177       21.26525 40.45599 10.97921 46.22447 4.768288 -5.768478      11.96995 
1 1 1 -6  42 17 o 19.89459 7.895173 17.83549       22.92001 0.000000       0.000000 17.83549       22.92001 ?        ?        19.89459 7.895173 ?              ?        
1 1 1 -6  42 18 o 23.24266 7.678285 31.33617       20.29627 45.38000       41.28022 26.85888       23.30811 26.97578 10.63000 22.12029 8.159158 4.855488       13.40033 
1 1 1 -6  42 19 o 24.33020 9.086652 34.40788       29.07548 -0.2266000     40.36409 71.76000       41.91779 20.43421 9.279355 31.98765 11.03386 -11.55344      14.41709 
1 1 1 -6  42 20 o 30.32401 9.377666 59.09112       30.65619 133.9000       44.41854 -8.955000      42.36326 45.16363 10.27949 19.88835 9.205216 25.27528       13.79869 
1 1 1 -6  42 21 o 28.64384 9.346761 52.39833       30.11297 69.33000       42.94437 36.02000       42.23680 31.35117 11.14192 25.45220 10.49077 5.898970       15.30355 
1 1 1 -6  42 22 o 15.74339 7.353247 -15.54213      28.00511 9.932000       38.44233 -44.35000      40.88044 21.25573 9.395092 16.61370 8.059084 4.642031       12.37807 
1 1 1 -6  42 23 o 24.21544 9.140485 34.37539       29.58876 36.76000       40.55043 31.66000       43.27166 25.30408 10.33761 24.72922 10.43611 0.5748672      14.68940 
1 1 1 -6  42 24 o 20.06915 8.477611 14.17246       28.59901 65.61000       40.06581 -39.26000      40.83537 30.61097 10.77278 16.90192 8.164057 13.70905       13.51683 
1 1 1 -6  42 25 o 14.11782 6.801841 -30.96300      27.91058 -54.79000      37.31686 -0.7107000     42.04841 14.99584 7.364780 20.53806 9.382194 -5.542222      11.92751 
1 1 1 -6  42 26 o 21.74307 9.480227 15.80000       37.94920 15.80000       37.94920 0.000000       0.000000 21.74307 9.480227 ?        ?        ?              ?        
1 1 1 -6  42 27 o 23.85561 9.017053 33.87401       28.81775 56.49000       39.42725 7.934000       42.22539 28.49234 10.59298 21.31429 9.602777 7.178049       14.29771 
1 1 1 -6  42 28 o 18.54297 8.731447 -16.30000      40.87977 0.000000       0.000000 -16.30000      40.87977 ?        ?        18.54297 8.731447 ?              ?        
1 1 1 -6  42 29 o 26.87370 9.328314 47.94604       29.98019 102.0000       42.17680 -7.259000      42.62352 37.35905 10.87700 19.57950 9.120563 17.77954       14.19485 
1 1 1 -6  42 30 f 17.77262 7.926688 2.878898       27.98953 20.05000       39.31985 -14.76000      39.85185 22.04141 9.629353 18.29390 8.616271 3.747509       12.92148 
1 1 1 -6  43 1  o 21.99632 7.741534 26.90276       20.69079 -7.005000      38.30730 40.86952       24.58554 19.37287 8.889254 26.04182 8.441724 -6.668949      12.25894 
1 1 1 -6  43 2  o 33.87930 6.024510 63.28408       19.24631 60.68000       40.31850 64.05259       21.90292 30.02536 10.78177 33.52308 6.904980 -3.497721      12.80333 
1 1 1 -6  43 3  o 16.84681 7.075557 7.287663       19.73953 0.000000       0.000000 7.287663       19.73953 ?        ?        16.84681 7.075557 ?              ?        
1 1 1 -6  43 4  o 37.93097 5.976689 78.87894       21.45655 0.000000       0.000000 78.87894       21.45655 ?        ?        37.93097 5.976689 ?              ?        
1 1 1 -6  43 5  o 53.60608 4.600373 150.0605       23.90548 151.0000       45.77771 149.7082       28.03116 48.68269 9.943164 52.84970 5.498981 -4.167015      11.36245 
1 1 1 -6  43 6  o 19.24706 6.997378 19.01294       17.04781 10.82000       38.29206 21.03827       19.03871 21.46952 9.437506 20.12168 7.382251 1.347841       11.98183 
1 1 1 -6  43 7  o 21.55124 6.997396 26.18397       16.88844 54.10000       38.30669 19.44880       18.81577 28.65937 10.47842 19.61959 7.313227 9.039780       12.77813 
1 1 1 -6  43 8  o 11.55935 5.416907 -12.41207      15.40834 31.20000       36.41987 -21.92019      17.00522 24.24779 9.837579 11.03715 5.315492 13.21064       11.18179 
1 1 1 -6  43 9  o 20.05412 7.869943 18.91150       22.54543 50.65000       36.42321 -0.8019475     28.70557 27.94031 10.21724 17.83303 7.985271 10.10728       12.96752 
1 1 1 -6  43 10 o 16.18079 6.500922 9.500237       15.73300 12.31000       36.12766 8.842671       17.47729 21.23479 9.254399 16.51190 6.770912 4.722893       11.46687 
1 1 1 -6  43 11 o 49.54486 4.837144 129.4081       23.15971 75.95000       42.13769 152.5465       27.72241 32.83921 11.06819 53.38605 5.378374 -20.54684      12.30576 
1 1 1 -6  43 12 o 13.91854 6.150027 -1.334991      16.45967 -0.7098000     37.47498 -1.484425      18.32149 19.80472 8.972679 14.58827 6.465141 5.216451       11.05925 
1 1 1 -6  43 13 o 16.85403 6.893138 9.661390       18.05456 15.18000       39.39622 8.194223       20.31326 22.10304 9.647832 17.13360 7.185647 4.969440       12.02972 
1 1 1 -6  43 14 o 14.50476 6.302988 1.232726       16.65631 14.72000       38.70518 -1.832678      18.45231 21.93205 9.568209 14.56092 6.468664 7.371129       11.54964 
1 1 1 -6  43 15 o 20.88227 7.375611 23.93400       18.79365 0.000000       0.000000 23.93400       18.79365 ?        ?        20.88227 7.375611 ?              ?        
1 1 1 -6  43 16 o 24.36033 7.443483 34.89567       19.38599 0.000000       0.000000 34.89567       19.38599 ?        ?        24.36033 7.443483 ?              ?        
1 1 1 -6  43 17 o 15.82945 6.892280 2.224139       19.99929 4.910000       41.71056 1.422327       22.78980 21.17210 9.540915 16.53215 7.273448 4.639952       11.99717 
1 1 1 -6  43 18 o 18.89522 7.428782 16.12856       20.12046 20.44000       42.71127 14.89890       22.80998 23.18769 10.08448 19.13659 7.777487 4.051102       12.73523 
1 1 1 -6  43 19 o 18.13818 8.101706 0.9308214      29.35286 1.840000       41.24297 -0.2401000E-02 41.78476 20.66277 9.381839 20.55718 9.376309 0.1055870      13.26401 
1 1 1 -6  43 20 o 30.74801 9.345053 61.58015       30.61060 64.02000       42.42245 58.93000       44.21289 30.02761 11.01914 29.00140 11.11921 1.026211       15.65434 
1 1 1 -6  43 21 o 18.17428 8.051363 2.979667       28.38868 -8.951000      38.32176 17.49000       42.26217 18.91502 8.754857 22.61042 9.927642 -3.695398      13.23653 
1 1 1 -6  43 22 o 32.63942 8.940915 67.85236       29.40223 69.37000       39.19820 65.90000       44.45897 31.39351 10.67455 30.21051 11.24538 1.183001       15.50498 
1 1 1 -6  43 23 o 34.33548 8.845981 74.96065       29.91333 82.97000       40.11608 64.93000       44.89359 34.06768 10.75654 29.80225 11.25681 4.265427       15.56981 
1 1 1 -6  43 24 o 26.91063 10.35402 48.49000       38.43018 48.49000       38.43018 0.000000       0.000000 26.91063 10.35402 ?        ?        ?              ?        
1 1 1 -6  43 25 o 23.68909 8.989805 33.78531       28.71130 7.301000       37.78698 69.96000       44.16215 20.39774 9.145574 30.45781 11.23158 -10.06007      14.48413 
1 1 1 -6  43 26 o 20.83527 9.465703 6.254000       42.05938 0.000000       0.000000 6.254000       42.05938 ?        ?        20.83527 9.465703 ?              ?        
1 1 1 -6  43 27 o 18.17365 8.041022 5.445130       28.22949 -52.69000      37.71599 79.50000       42.56797 14.95370 7.355980 32.05774 11.11613 -17.10403      13.32962 
1 1 1 -6  43 28 o 23.71046 8.972978 35.08181       28.55670 47.66000       38.19566 19.14000       43.00051 26.23097 10.25841 22.24949 9.880062 3.981482       14.24256 
1 1 1 -6  44 1  o 22.34036 7.543966 28.63159       19.57565 -14.78000      38.21831 44.07161       22.79253 18.40631 8.594726 26.96242 8.034967 -8.556112      11.76563 
1 1 1 -6  44 2  o 15.98527 7.063231 0.1542249      21.71072 0.000000       0.000000 0.1542249      21.71072 ?        ?        15.98527 7.063231 ?              ?        
1 1 1 -6  44 3  f 25.54733 6.934098 37.93249       17.77972 41.95000       38.74731 36.86097       20.01079 26.14897 10.30040 24.94411 7.550490 1.204865       12.77138 
1 1 1 -6  44 4  o 21.75157 7.139091 26.95022       17.55626 -13.13000      38.78919 37.27605       19.68830 18.68088 8.701529 25.10284 7.464612 -6.421959      11.46460 
1 1 1 -6  44 5  o 21.78617 7.107992 27.06692       17.41539 9.943000       38.74862 31.40158       19.49540 21.25620 9.412073 23.19848 7.516999 -1.942276      12.04543 
1 1 1 -6  44 6  o 42.97882 5.413281 99.63172       22.26899 0.000000       0.000000 99.63172       22.26899 ?        ?        42.97882 5.413281 ?              ?        
1 1 1 -6  44 7  o 33.10768 5.900980 60.60435       18.42179 16.93000       40.18931 72.22154       20.72755 22.38186 9.757431 36.07988 6.085441 -13.69802      11.49957 
1 1 1 -6  44 8  f 16.98619 6.900949 10.42335       17.95039 -6.578000      37.84763 15.35759       20.38951 19.14903 8.804621 18.75085 7.444881 0.3981800      11.53029 
1 1 1 -6  44 9  o 17.79405 6.837310 14.55357       16.74269 -32.57000      38.54826 25.50996       18.58743 16.90189 8.104307 21.32011 7.347757 -4.418219      10.93935 
1 1 1 -6  44 10 o 14.01213 6.581224 -16.32910      22.96603 12.86000       38.22709 -32.81473      28.72854 21.53423 9.448876 14.21850 6.862914 7.315722       11.67822 
1 1 1 -6  44 11 f 13.78424 6.263187 -6.116727      18.42172 15.00000       39.61355 -11.94348      20.80864 22.01866 9.641239 13.80436 6.410754 8.214305       11.57805 
1 1 1 -6  44 12 o 35.04736 7.416728 72.04242       24.64861 29.85000       42.53136 93.38000       30.24577 24.40231 10.32467 39.42147 8.109154 -15.01916      13.12849 
1 1 1 -6  44 13 o 14.25764 6.292109 -0.8073161     17.17846 -36.37000      40.93451 6.794476       18.92563 17.13990 8.252660 16.40137 6.910630 0.7385254      10.76398 
1 1 1 -6  44 14 o 19.18870 7.333667 18.09086       19.19232 0.000000       0.000000 18.09086       19.19232 ?        ?        19.18870 7.333667 ?              ?        
1 1 1 -6  44 15 o 18.00709 6.984869 14.89931       17.59351 -23.72000      41.09130 23.56807       19.46821 18.10609 8.593474 20.72420 7.485588 -2.618113      11.39657 
1 1 1 -6  44 16 o 47.82429 4.314828 119.4413       19.98145 71.75000       44.98532 131.1631       22.30224 31.17358 11.36175 49.90845 4.617634 -18.73487      12.26426 
1 1 1 -6  44 17 o 24.35873 7.823479 35.64544       21.14775 93.48000       41.09811 14.81711       24.66354 36.34693 10.77905 19.37020 8.003464 16.97673       13.42547 
1 1 1 -6  44 18 o 14.39842 6.900112 -27.26377      27.85849 -24.40000      37.72134 -30.70000      41.31982 17.28618 8.212757 17.57658 8.417904 -0.2903976     11.76055 
1 1 1 -6  44 19 o 34.76399 8.879118 76.95772       30.31785 51.47000       40.24562 110.4000       46.10002 27.53298 10.59516 38.72117 11.39889 -11.18819      15.56252 
1 1 1 -6  44 20 o 35.63895 8.739939 80.54881       30.25205 83.94000       40.58780 76.31000       45.37750 34.00188 10.82983 31.66241 11.42943 2.339468       15.74538 
1 1 1 -6  44 21 o 19.96278 8.445064 15.12425       28.44839 35.72000       38.11850 -10.77000      42.74138 24.52539 10.02155 19.36856 9.058770 5.156839       13.50899 
1 1 1 -6  44 22 o 21.68402 9.448154 17.98000       37.63912 17.98000       37.63912 0.000000       0.000000 21.68402 9.448154 ?        ?        ?              ?        
1 1 1 -6  44 23 o 19.87619 8.474464 14.89825       29.03246 -9.158000      37.58010 50.51000       45.72362 18.38791 8.564988 26.76627 10.96102 -8.378357      13.91053 
1 1 1 -6  44 24 o 30.17309 9.171046 61.51751       29.48048 67.01000       39.82601 54.86000       43.84682 29.80754 10.71421 27.27699 10.88875 2.530546       15.27610 
1 1 1 -6  44 25 f 34.89159 11.51818 97.17000       45.67529 0.000000       0.000000 97.17000       45.67529 ?        ?        34.89159 11.51818 ?              ?        
1 1 1 -6  45 1  o 42.66975 5.654090 99.26111       23.03442 0.000000       0.000000 99.26111       23.03442 ?        ?        42.66975 5.654090 ?              ?        
1 1 1 -6  45 2  o 41.38277 5.824968 93.99310       22.94290 60.87000       42.93512 107.2312       27.14314 29.40085 11.02934 43.64185 6.556550 -14.24100      12.83100 
1 1 1 -6  45 3  o 19.95865 7.412595 20.86654       19.29697 28.71000       39.92433 18.47562       22.04276 23.90627 10.05290 19.74608 7.771832 4.160194       12.70678 
1 1 1 -6  45 4  o 15.96792 6.673546 6.936112       17.42912 45.10000       40.33479 -1.825900      19.32660 26.58352 10.49761 14.81806 6.599262 11.76545       12.39960 
1 1 1 -6  45 5  o 28.83465 6.664811 47.86960       18.43404 47.91000       41.29953 47.85955       20.59995 27.07537 10.64369 28.39735 7.353532 -1.321974      12.93687 
1 1 1 -6  45 6  o 18.35716 6.979238 16.32824       17.32436 33.81000       39.90770 12.26874       19.23093 24.64590 10.18176 17.69242 7.159261 6.953485       12.44682 
1 1 1 -6  45 7  o 28.46203 6.605989 46.64572       18.04847 11.06000       41.65171 54.87212       20.02625 21.67344 9.667850 30.78758 6.824654 -9.114134      11.83399 
1 1 1 -6  45 8  o 35.01721 5.659100 67.40763       18.73576 51.68000       43.99194 70.89244       20.70765 27.59758 10.94257 35.57544 6.170253 -7.977852      12.56232 
1 1 1 -6  45 9  o 19.40369 7.332841 19.19044       19.05573 0.000000       0.000000 19.19044       19.05573 ?        ?        19.40369 7.332841 ?              ?        
1 1 1 -6  45 10 o 21.27873 9.504201 9.772000       40.39195 0.000000       0.000000 9.772000       40.39195 ?        ?        21.27873 9.504201 ?              ?        
1 1 1 -6  45 11 o 32.91107 6.707002 62.30518       20.87208 34.97000       40.98908 71.87430       24.25176 24.77789 10.28502 34.92281 7.328656 -10.14492      12.62897 
1 1 1 -6  45 12 o 23.80393 8.401199 34.08598       24.37999 0.000000       0.000000 34.08598       24.37999 ?        ?        23.80393 8.401199 ?              ?        
1 1 1 -6  45 13 o 33.91475 6.676526 65.97374       21.37451 0.000000       0.000000 65.97374       21.37451 ?        ?        33.91475 6.676526 ?              ?        
1 1 1 -6  45 14 f 36.10466 5.470695 71.22367       18.72857 63.15000       40.33731 73.44245       21.14602 29.72763 10.76985 36.16415 6.196532 -6.436523      12.42524 
1 1 1 -6  45 15 o 37.94834 6.438812 81.75223       23.06292 64.14000       40.21979 90.38041       28.15091 29.78745 10.75926 38.86044 7.673206 -9.072989      13.21514 
1 1 1 -6  45 16 o 28.26832 6.645759 46.50257       18.07688 27.24000       38.46820 51.96167       20.47883 23.18823 9.815435 29.56528 7.154557 -6.377041      12.14621 
1 1 1 -6  45 17 o 17.49007 7.842625 0.6523879      27.79428 -8.150000      36.82847 12.30000       42.36448 18.43166 8.548990 21.61188 9.687300 -3.180212      12.92010 
1 1 1 -6  45 18 o 24.02915 9.035248 35.88172       28.84939 18.18000       38.29205 59.12000       43.87355 21.73608 9.499171 28.28304 11.01357 -6.546953      14.54417 
1 1 1 -6  45 19 o 24.28783 9.062440 37.40671       28.90742 18.83000       38.31956 61.94000       44.03662 21.73605 9.500795 28.60765 11.06324 -6.871593      14.58288 
1 1 1 -6  45 20 o 21.99263 8.828241 27.04182       28.98746 7.688000       38.28574 53.04000       44.37364 20.23253 9.127065 26.95300 10.88635 -6.720467      14.20619 
1 1 1 -6  45 21 o 21.46556 9.386661 19.07000       37.44014 19.07000       37.44014 0.000000       0.000000 21.46556 9.386661 ?        ?        ?              ?        
1 1 1 -6  45 22 o 31.09885 9.165948 65.77995       29.79294 73.07000       39.94480 56.64000       44.72671 30.83132 10.76350 27.32834 10.96748 3.502974       15.36680 
1 1 1 -6  46 1  o 20.32605 8.039537 20.39913       23.69194 -15.85000      35.14686 50.58771       32.07444 17.39950 8.162477 27.59665 9.644284 -10.19715      12.63480 
1 1 1 -6  46 2  o 20.16053 7.184203 22.41168       17.86558 30.67000       35.27365 19.56224       20.71975 23.59420 9.640610 19.69940 7.596567 3.894806       12.27392 
1 1 1 -6  46 3  o 18.30342 7.241203 15.05475       19.22438 7.948000       35.57862 17.98525       22.84673 20.19834 8.977120 19.64969 7.854619 0.5486469      11.92827 
1 1 1 -6  46 4  o 24.81118 7.542884 37.06244       19.94072 18.54000       36.25002 45.09918       23.87807 21.76338 9.377549 26.88280 8.269768 -5.119413      12.50310 
1 1 1 -6  46 5  o 14.49871 6.349825 0.7924259      17.19105 17.84000       37.35610 -3.787894      19.36325 21.80063 9.456556 14.42859 6.501467 7.372033       11.47587 
1 1 1 -6  46 6  o 36.03111 5.675166 71.59179       19.35391 78.29000       42.96259 69.88641       21.67813 32.37893 11.17045 34.94275 6.579433 -2.563824      12.96410 
1 1 1 -6  46 7  o 14.74307 6.395583 2.256102       17.08887 34.59000       38.00278 -5.939170      19.13234 24.35618 9.985567 13.97727 6.363353 10.37891       11.84077 
1 1 1 -6  46 8  o 15.05390 6.573936 1.843099       18.30945 -7.836000      37.15353 4.947711       21.04196 18.56438 8.602256 16.47411 7.121743 2.090273       11.16772 
1 1 1 -6  46 9  o 16.30606 6.760895 8.614659       17.68421 22.79000       36.15969 4.158381       20.27422 22.23207 9.467588 16.09133 6.973389 6.140743       11.75854 
1 1 1 -6  46 10 o 17.50554 6.933638 13.52212       17.64506 -0.4145000     38.09145 17.32968       19.91005 19.48652 8.912436 18.90812 7.402957 0.5783997      11.58599 
1 1 1 -6  46 11 o 24.57503 9.082046 38.15804       28.90310 0.000000       0.000000 38.15804       28.90310 ?        ?        24.57503 9.082046 ?              ?        
1 1 1 -6  46 12 o 14.46198 6.522844 -3.479540      19.54528 1.251000       38.50877 -5.121051      22.68435 19.67778 8.985167 15.21985 6.928999 4.457932       11.34655 
1 1 1 -6  46 13 o 31.25758 7.232926 58.61736       21.69065 0.000000       0.000000 58.61736       21.69065 ?        ?        31.25758 7.232926 ?              ?        
1 1 1 -6  46 14 o 16.48405 6.799819 9.655528       17.76390 30.15000       37.97778 3.915897       20.09802 23.27364 9.796869 15.90156 6.916650 7.372087       11.99244 
1 1 1 -6  46 15 o 15.58804 6.753186 4.068897       19.00207 -1.400000      37.26344 5.990774       22.09001 19.01176 8.739639 16.79351 7.278324 2.218245       11.37345 
1 1 1 -6  46 16 o 44.95509 5.833969 113.1307       25.06650 50.67000       41.28838 149.5910       31.54529 26.46831 10.56618 51.07359 6.453881 -24.60528      12.38130 
1 1 1 -6  46 17 o 14.45456 6.904939 -22.41980      27.41950 1.785000       36.38305 -54.24000      41.71572 19.09307 8.724066 15.64759 7.704899 3.445472       11.63936 
1 1 1 -6  46 18 o 23.47867 9.033572 34.91470       29.25328 47.04000       39.14035 19.57000       44.03091 25.80328 10.29199 22.15544 9.907511 3.647839       14.28579 
1 1 1 -6  47 1  o 57.10102 4.140722 170.5537       22.98611 135.9000       42.91700 184.4932       27.21939 44.44453 10.09584 58.79107 4.770963 -14.34654      11.16638 
1 1 1 -6  47 2  o 21.10288 8.107373 24.92968       23.53776 -7.171000      34.87410 51.78749       31.89930 17.97412 8.330639 27.40577 9.614971 -9.431648      12.72192 
1 1 1 -6  47 3  o 38.04925 5.407136 79.65643       19.57185 7.705000       37.02445 107.5597       23.05666 20.06432 9.019849 44.25997 5.436089 -24.19565      10.53132 
1 1 1 -6  47 4  o 16.08394 6.834654 6.725227       18.77406 45.25000       35.22142 -8.564607      22.18903 25.79327 9.915380 14.52038 6.699880 11.27289       11.96675 
1 1 1 -6  47 5  o 19.25544 7.139100 20.10952       17.88503 3.500000       35.49002 25.76361       20.70661 19.26647 8.730015 21.08689 7.704858 -1.820415      11.64380 
1 1 1 -6  47 6  o 41.85039 4.882815 94.44720       19.62675 98.69000       39.88046 93.09115       22.54610 36.72614 10.54214 40.80015 5.809458 -4.074009      12.03688 
1 1 1 -6  47 7  o 20.44133 7.464443 23.86097       19.43017 32.55000       37.21279 20.60423       22.78233 23.47488 9.776573 19.93242 7.883743 3.542459       12.55925 
1 1 1 -6  47 8  o 20.43966 7.162174 24.21995       17.69651 44.28000       37.00477 18.27201       20.15000 25.42977 10.05089 18.99906 7.444812 6.430712       12.50782 
1 1 1 -6  47 9  o 29.45420 7.211989 52.75394       20.62325 0.000000       0.000000 52.75394       20.62325 ?        ?        29.45420 7.211989 ?              ?        
1 1 1 -6  47 10 o 17.72008 7.329461 12.61175       20.71442 0.000000       0.000000 12.61175       20.71442 ?        ?        17.72008 7.329461 ?              ?        
1 1 1 -6  47 11 o 20.25214 7.946603 22.39875       22.98421 49.71000       38.60631 7.403719       28.60627 26.16851 10.28970 18.33625 8.104601 7.832254       13.09818 
1 1 1 -6  47 12 o 36.39759 5.697143 74.36845       19.63196 66.13000       40.09766 76.96597       22.51513 29.17728 10.71199 36.29761 6.579293 -7.120331      12.57115 
1 1 1 -6  47 13 o 39.10596 6.358401 88.33031       23.50336 52.13000       41.61971 105.2802       28.47909 26.43687 10.58996 41.88754 7.205802 -15.45067      12.80902 
1 1 1 -6  48 1  o 32.79399 6.171975 62.14094       19.08499 87.14000       36.37709 52.64661       22.41806 34.42804 10.12323 28.79058 7.774282 5.637461       12.76398 
1 1 1 -6  48 2  o 26.59004 7.137480 43.48687       18.96418 59.54000       36.96586 37.75272       22.09305 28.00339 10.28446 24.24224 8.011050 3.761147       13.03638 
1 1 1 -6  48 3  o 17.01245 7.698777 0.4215890      27.49467 -25.85000      35.29513 40.97000       43.84888 16.04927 7.710968 24.53966 10.43714 -8.490391      12.97663 
1 1 1 -6  48 4  o 20.18890 8.983994 13.46000       35.74487 13.46000       35.74487 0.000000       0.000000 20.18890 8.983994 ?        ?        ?              ?        
1 1 1 -6  48 5  o 22.71130 9.597184 30.80000       36.67321 30.80000       36.67321 0.000000       0.000000 22.71130 9.597184 ?        ?        ?              ?        
1 1 1 -5  0  1  o 260.7430 7.220768 3337.858       183.9706 3337.858       183.9706 3337.858       183.9706 260.7430 7.220768 260.7430 7.220768 -0.000000      0.000000 
1 1 1 -5  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  3  o 627.5458 16.57060 19407.01       1016.261 19407.01       1016.261 19407.01       1016.261 627.5458 16.57060 627.5458 16.57060 0.000000       0.000000 
1 1 1 -5  0  4  o 266.8268 7.371691 3495.998       192.1997 3495.998       192.1997 3495.998       192.1997 266.8268 7.371691 266.8268 7.371691 -0.000000      0.000000 
1 1 1 -5  0  5  o 181.0806 5.354200 1609.958       94.71356 1609.958       94.71356 1609.958       94.71356 181.0806 5.354200 181.0806 5.354200 0.000000       0.000000 
1 1 1 -5  0  6  o 35.57383 4.653796 65.07160       15.43746 65.07160       15.43746 65.07160       15.43746 35.57383 4.653796 35.57383 4.653796 -0.000000      0.000000 
1 1 1 -5  0  7  o 153.0709 4.772418 1150.761       71.34764 1150.761       71.34764 1150.761       71.34764 153.0709 4.772418 153.0709 4.772418 -0.000000      0.000000 
1 1 1 -5  0  8  o 28.39642 6.527716 45.21223       15.79684 45.21223       15.79684 45.21223       15.79684 28.39642 6.527716 28.39642 6.527716 -0.000000      0.000000 
1 1 1 -5  0  9  o 310.5399 8.475100 4739.181       257.1796 4739.181       257.1796 4739.181       257.1796 310.5399 8.475100 310.5399 8.475100 -0.000000      0.000000 
1 1 1 -5  0  10 o 102.4574 3.995914 516.2915       39.93558 516.2915       39.93558 516.2915       39.93558 102.4574 3.995914 102.4574 3.995914 0.000000       0.000000 
1 1 1 -5  0  11 o 45.02168 4.816892 102.6037       20.61510 102.6037       20.61510 102.6037       20.61510 45.02168 4.816892 45.02168 4.816892 -0.000000      0.000000 
1 1 1 -5  0  12 o 240.2220 6.782445 2832.906       159.1922 2832.906       159.1922 2832.906       159.1922 240.2220 6.782445 240.2220 6.782445 0.000000       0.000000 
1 1 1 -5  0  13 o 93.60122 4.123506 431.3661       37.61203 431.3661       37.61203 431.3661       37.61203 93.60122 4.123506 93.60122 4.123506 -0.000000      0.000000 
1 1 1 -5  0  14 o 21.58946 9.497087 32.80160       21.00551 32.80160       21.00551 32.80160       21.00551 21.58946 9.497087 21.58946 9.497087 0.000000       0.000000 
1 1 1 -5  0  15 o 1016.541 26.75138 51098.47       2657.645 51098.47       2657.645 51098.47       2657.645 1016.541 26.75138 1016.541 26.75138 0.000000       0.000000 
1 1 1 -5  0  16 o 321.8776 12.49376 5103.000       392.2826 5103.000       392.2826 5103.000       392.2826 321.8776 12.49376 321.8776 12.49376 -0.000000      0.000000 
1 1 1 -5  0  17 o 10.95534 7.768727 -46.22000      34.92746 -46.22000      34.92746 -46.22000      34.92746 10.95534 7.768727 10.95534 7.768727 -0.000000      0.000000 
1 1 1 -5  0  18 o 238.0873 6.801101 2782.805       158.2047 2782.805       158.2047 2782.805       158.2047 238.0873 6.801101 238.0873 6.801101 0.000000       0.000000 
1 1 1 -5  0  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  20 o 35.87117 12.70855 83.01000       40.58315 83.01000       40.58315 83.01000       40.58315 35.87117 12.70855 35.87117 12.70855 0.000000       0.000000 
1 1 1 -5  0  21 o 120.4122 6.599296 716.6000       77.24345 716.6000       77.24345 716.6000       77.24345 120.4122 6.599296 120.4122 6.599296 -0.000000      0.000000 
1 1 1 -5  0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  0  24 o 99.59434 4.555697 488.8036       44.19925 488.8036       44.19925 488.8036       44.19925 99.59434 4.555697 99.59434 4.555697 -0.000000      0.000000 
1 1 1 -5  0  25 o 299.4159 8.278254 4408.028       242.1968 4408.028       242.1968 4408.028       242.1968 299.4159 8.278254 299.4159 8.278254 0.000000       0.000000 
1 1 1 -5  0  26 o 232.4777 6.747638 2656.315       153.2534 2656.315       153.2534 2656.315       153.2534 232.4777 6.747638 232.4777 6.747638 0.000000       0.000000 
1 1 1 -5  0  27 o 283.3667 7.900023 3949.335       218.7356 3949.335       218.7356 3949.335       218.7356 283.3667 7.900023 283.3667 7.900023 -0.000000      0.000000 
1 1 1 -5  0  28 o 325.9347 8.941411 5229.951       284.7760 5229.951       284.7760 5229.951       284.7760 325.9347 8.941411 325.9347 8.941411 -0.000000      0.000000 
1 1 1 -5  0  29 o 183.8646 5.680750 1661.870       102.0163 1661.870       102.0163 1661.870       102.0163 183.8646 5.680750 183.8646 5.680750 0.000000       0.000000 
1 1 1 -5  0  30 o 204.1539 6.107847 2049.268       121.8066 2049.268       121.8066 2049.268       121.8066 204.1539 6.107847 204.1539 6.107847 -0.000000      0.000000 
1 1 1 -5  0  31 o 73.10935 5.167759 265.8823       36.54884 265.8823       36.54884 265.8823       36.54884 73.10935 5.167759 73.10935 5.167759 -0.000000      0.000000 
1 1 1 -5  0  32 o 312.6998 8.658156 4819.399       264.5488 4819.399       264.5488 4819.399       264.5488 312.6998 8.658156 312.6998 8.658156 -0.000000      0.000000 
1 1 1 -5  0  33 o 143.8459 5.074789 1018.299       71.25128 1018.299       71.25128 1018.299       71.25128 143.8459 5.074789 143.8459 5.074789 0.000000       0.000000 
1 1 1 -5  0  34 o 253.7362 7.276567 3172.246       180.3876 3172.246       180.3876 3172.246       180.3876 253.7362 7.276567 253.7362 7.276567 0.000000       0.000000 
1 1 1 -5  0  35 f 80.41393 5.216635 321.2538       40.65914 321.2538       40.65914 321.2538       40.65914 80.41393 5.216635 80.41393 5.216635 -0.000000      0.000000 
1 1 1 -5  0  36 o 74.92357 5.308085 279.7099       38.47071 279.7099       38.47071 279.7099       38.47071 74.92357 5.308085 74.92357 5.308085 -0.000000      0.000000 
1 1 1 -5  0  37 o 181.9708 8.350711 1646.000       148.0256 1646.000       148.0256 1646.000       148.0256 181.9708 8.350711 181.9708 8.350711 0.000000       0.000000 
1 1 1 -5  0  38 o 140.8357 7.510261 987.8000       102.8551 987.8000       102.8551 987.8000       102.8551 140.8357 7.510261 140.8357 7.510261 -0.000000      0.000000 
1 1 1 -5  0  39 o 11.66433 7.963027 -16.85161      28.33356 -16.85161      28.33356 -16.85161      28.33356 11.66433 7.963027 11.66433 7.963027 0.000000       0.000000 
1 1 1 -5  0  40 o 138.7885 7.181361 960.9000       96.95917 960.9000       96.95917 960.9000       96.95917 138.7885 7.181361 138.7885 7.181361 -0.000000      0.000000 
1 1 1 -5  0  41 o 89.20902 4.994648 395.6378       43.29843 395.6378       43.29843 395.6378       43.29843 89.20902 4.994648 89.20902 4.994648 0.000000       0.000000 
1 1 1 -5  0  42 o 46.33355 8.145136 115.9697       33.53001 115.9697       33.53001 115.9697       33.53001 46.33355 8.145136 46.33355 8.145136 -0.000000      0.000000 
1 1 1 -5  0  43 o 108.9757 4.979103 589.4246       52.85805 589.4246       52.85805 589.4246       52.85805 108.9757 4.979103 108.9757 4.979103 -0.000000      0.000000 
1 1 1 -5  0  44 o 15.85549 9.819960 10.03235       30.26186 10.03235       30.26186 10.03235       30.26186 15.85549 9.819960 15.85549 9.819960 -0.000000      0.000000 
1 1 1 -5  0  45 o 30.04034 11.72613 62.63272       32.91371 62.63272       32.91371 62.63272       32.91371 30.04034 11.72613 30.04034 11.72613 -0.000000      0.000000 
1 1 1 -5  0  46 o 50.54524 7.806517 136.3992       35.88377 136.3992       35.88377 136.3992       35.88377 50.54524 7.806517 50.54524 7.806517 0.000000       0.000000 
1 1 1 -5  0  47 o 16.49500 10.12469 12.97069       31.49198 12.97069       31.49198 12.97069       31.49198 16.49500 10.12469 16.49500 10.12469 -0.000000      0.000000 
1 1 1 -5  0  48 f 55.06525 6.936238 158.9387       35.77734 158.9387       35.77734 158.9387       35.77734 55.06525 6.936238 55.06525 6.936238 -0.000000      0.000000 
1 1 1 -5  0  49 o 20.40928 11.04651 31.78816       30.85476 31.78816       30.85476 31.78816       30.85476 20.40928 11.04651 20.40928 11.04651 -0.000000      0.000000 
1 1 1 -5  0  50 o 13.08314 8.692678 -5.749437      29.68903 -5.749437      29.68903 -5.749437      29.68903 13.08314 8.692678 13.08314 8.692678 -0.000000      0.000000 
1 1 1 -5  0  51 o 41.45834 9.681675 100.8767       34.15347 100.8767       34.15347 100.8767       34.15347 41.45834 9.681675 41.45834 9.681675 -0.000000      0.000000 
1 1 1 -5  0  52 o 38.11326 14.82838 107.8000       52.70134 107.8000       52.70134 107.8000       52.70134 38.11326 14.82838 38.11326 14.82838 -0.000000      0.000000 
1 1 1 -5  0  53 o 31.33652 15.21304 82.78000       54.62884 82.78000       54.62884 82.78000       54.62884 31.33652 15.21304 31.33652 15.21304 0.000000       0.000000 
1 1 1 -5  0  54 o 14.39593 9.429987 -0.3793184     33.04039 -0.3793184     33.04039 -0.3793184     33.04039 14.39593 9.429987 14.39593 9.429987 0.000000       0.000000 
1 1 1 -5  0  55 o 85.11651 7.529072 380.5000       61.54769 380.5000       61.54769 380.5000       61.54769 85.11651 7.529072 85.11651 7.529072 -0.000000      0.000000 
1 1 1 -5  0  56 o 16.87028 10.30704 16.73980       32.29556 16.73980       32.29556 16.73980       32.29556 16.87028 10.30704 16.87028 10.30704 -0.000000      0.000000 
1 1 1 -5  0  57 f 22.75229 13.23724 41.96000       48.54993 41.96000       48.54993 41.96000       48.54993 22.75229 13.23724 22.75229 13.23724 -0.000000      0.000000 
1 1 1 -5  0  58 o 51.44892 7.808136 144.9693       36.64202 144.9693       36.64202 144.9693       36.64202 51.44892 7.808136 51.44892 7.808136 -0.000000      0.000000 
1 1 1 -5  0  59 o 18.05361 10.71773 22.77209       32.94941 22.77209       32.94941 22.77209       32.94941 18.05361 10.71773 18.05361 10.71773 -0.000000      0.000000 
1 1 1 -5  0  60 o 20.66542 11.26269 34.79914       32.29551 34.79914       32.29551 34.79914       32.29551 20.66542 11.26269 20.66542 11.26269 -0.000000      0.000000 
1 1 1 -5  0  61 o 28.84705 11.92380 63.34519       33.41775 63.34519       33.41775 63.34519       33.41775 28.84705 11.92380 28.84705 11.92380 -0.000000      0.000000 
1 1 1 -5  0  62 o 17.84404 10.64493 22.71824       32.79926 22.71824       32.79926 22.71824       32.79926 17.84404 10.64493 17.84404 10.64493 0.000000       0.000000 
1 1 1 -5  0  63 o 23.09704 11.78818 45.35276       33.57304 45.35276       33.57304 45.35276       33.57304 23.09704 11.78818 23.09704 11.78818 -0.000000      0.000000 
1 1 1 -5  1  1  o 268.3673 6.025074 3529.077       158.2699 3933.000       294.7420 3365.417       187.6132 282.7455 10.66890 261.8931 7.325885 20.85245       12.94195 
1 1 1 -5  1  2  o 552.0446 10.28859 14969.08       555.9504 15657.95       811.7691 14360.55       762.9638 563.3486 14.73405 539.5692 14.45913 23.77936       20.64361 
1 1 1 -5  1  3  o 289.9211 5.596556 4118.355       158.8206 4129.360       225.6275 4107.546       223.5988 290.0339 7.955132 289.2718 7.904320 0.7621155      11.21438 
1 1 1 -5  1  4  o 347.5790 6.613794 5922.642       225.0145 6092.296       323.6424 5763.901       313.0584 352.0958 9.399115 342.4757 9.347507 9.620148       13.25591 
1 1 1 -5  1  5  o 251.3059 4.930473 3094.073       121.2823 3082.276       171.1014 3105.986       171.9398 250.5996 6.982170 251.5616 6.989516 -0.9619751     9.879476 
1 1 1 -5  1  6  o 78.01696 2.520772 298.2915       19.22465 307.0620       27.40192 289.7899       26.97854 79.10553 3.547926 76.84098 3.596882 2.264549       5.052261 
1 1 1 -5  1  7  o 182.6432 3.808381 1633.878       68.08479 1635.256       96.32909 1632.501       96.24384 182.5697 5.396343 182.4157 5.396127 0.1539612      7.631429 
1 1 1 -5  1  8  o 256.4923 5.032362 3224.323       126.3434 3209.575       178.1041 3239.263       179.2545 255.6254 7.125042 256.8042 7.138112 -1.178757      10.08558 
1 1 1 -5  1  9  o 219.5834 4.419036 2362.238       94.98026 2400.861       135.6397 2325.080       133.0427 221.1673 6.271892 217.6480 6.251441 3.519211       8.855346 
1 1 1 -5  1  10 o 122.8902 3.003670 739.4160       36.13064 708.7797       50.13711 772.5146       52.11304 120.2168 4.267539 125.5132 4.247929 -5.296379      6.021360 
1 1 1 -5  1  11 o 85.62256 2.747332 359.2681       22.99551 342.7397       32.00402 376.9083       33.06295 83.56897 3.923443 87.64777 3.863340 -4.078796      5.506251 
1 1 1 -5  1  12 o 536.3312 10.00602 14119.15       525.2920 14215.63       746.6288 14024.59       739.1774 537.1812 14.21214 533.5682 14.16566 3.612976       20.06616 
1 1 1 -5  1  13 o 68.54933 2.957960 230.4538       19.80061 221.4431       27.91407 239.5794       28.09135 67.11486 4.271276 69.82944 4.128289 -2.714584      5.940250 
1 1 1 -5  1  14 o 476.2096 8.919867 11119.11       415.7791 11062.54       586.1566 11176.39       589.8619 474.3929 12.63444 476.8270 12.64932 -2.434113      17.87832 
1 1 1 -5  1  15 o 552.6661 11.90878 14998.05       644.2234 14687.06       777.3602 15680.00       1151.128 546.2723 14.55103 562.7806 20.93320 -16.50830      25.49376 
1 1 1 -5  1  16 o 304.8307 6.811066 4552.853       203.2263 4449.103       245.1174 4781.000       363.4862 301.1393 8.323715 311.7858 11.93240 -10.64645      14.54876 
1 1 1 -5  1  17 o 799.7532 17.15852 31538.78       1343.204 32170.00       2360.214 31236.42       1633.539 800.9638 30.15843 794.1527 21.03303 6.811096       36.76846 
1 1 1 -5  1  18 o 230.3842 5.394719 2599.733       121.6544 2495.000       205.9414 2655.869       150.7724 225.3222 9.357927 232.7170 6.625669 -7.394791      11.46605 
1 1 1 -5  1  19 o 195.3960 4.771801 1869.848       91.26498 1741.000       151.6188 1943.059       114.2893 188.2356 8.248994 199.0630 5.871967 -10.82747      10.12551 
1 1 1 -5  1  20 o 375.1935 8.250386 6905.893       302.9952 6667.000       511.6902 7034.888       376.0035 367.5119 14.25126 378.3141 10.16311 -10.80219      17.50392 
1 1 1 -5  1  21 o 242.7939 6.915418 2893.011       164.1798 2750.000       224.6371 3057.000       240.5495 236.3887 9.729211 249.2346 9.879871 -12.84587      13.86612 
1 1 1 -5  1  22 o 356.9258 7.893077 6253.235       275.7596 6160.092       334.7242 6450.000       486.5023 353.8677 9.672692 361.1602 13.78723 -7.292450      16.84187 
1 1 1 -5  1  23 o 118.1657 3.244479 684.2824       37.49137 699.7689       53.32661 669.1462       52.72019 119.4193 4.570519 116.7697 4.621672 2.649597       6.499961 
1 1 1 -5  1  24 o 214.4904 5.112125 2255.297       107.3286 2263.572       131.7884 2239.000       184.9529 214.7033 6.277677 213.1798 8.883039 1.523468       10.87739 
1 1 1 -5  1  25 o 137.1027 3.921792 921.6933       52.57633 935.7000       92.13594 914.9300       64.02368 137.8777 6.848417 136.5343 4.798087 1.343369       8.361965 
1 1 1 -5  1  26 o 192.9750 4.103972 1824.886       77.51962 1844.020       110.3878 1806.270       108.8862 193.7709 5.826664 191.7777 5.807234 1.993210       8.226419 
1 1 1 -5  1  27 o 201.7928 4.888906 1996.955       96.56587 2052.000       169.5864 1970.544       117.4700 203.9616 8.513191 200.2625 5.999448 3.699112       10.41479 
1 1 1 -5  1  28 o 294.2365 6.651873 4254.341       191.5785 4309.173       236.6213 4150.000       326.4109 295.7084 8.182794 289.2050 11.55387 6.503387       14.15804 
1 1 1 -5  1  29 o 298.0682 5.823256 4362.718       169.8978 4393.900       241.4419 4332.133       239.1185 298.5138 8.271052 296.4123 8.249608 2.101532       11.68188 
1 1 1 -5  1  30 o 225.3526 4.628092 2491.023       102.0871 2486.039       144.3260 2496.014       144.4199 224.7770 6.566779 225.2296 6.557799 -0.4525452     9.280479 
1 1 1 -5  1  31 o 265.9538 5.298859 3472.875       137.9415 3506.517       196.3063 3440.061       193.8738 266.6982 7.527359 264.1624 7.505548 2.535828       10.62988 
1 1 1 -5  1  32 o 217.8941 4.535225 2329.756       96.72763 2347.243       137.4677 2312.606       136.1292 218.3256 6.439682 216.7105 6.424583 1.615128       9.096416 
1 1 1 -5  1  33 f 193.5240 4.183067 1837.515       79.23843 1820.700       111.6333 1854.589       112.4918 192.3030 5.937751 194.0880 5.928236 -1.784927      8.390522 
1 1 1 -5  1  34 f 175.7564 3.951626 1515.674       67.98190 1520.680       96.36211 1510.714       95.92123 175.7315 5.609281 175.1555 5.602007 0.5759735      7.927579 
1 1 1 -5  1  35 o 190.2608 4.170414 1777.509       77.66667 1824.091       111.4735 1733.565       108.2710 192.3243 5.928573 187.4919 5.906985 4.832397       8.369018 
1 1 1 -5  1  36 o 126.8801 4.054634 791.6434       50.29137 776.5973       60.58119 825.0000       90.20184 125.5227 4.940357 128.8847 7.178387 -3.362030      8.714148 
1 1 1 -5  1  37 o 109.3306 4.052492 588.4164       43.29303 602.3931       52.75760 559.6000       75.75347 110.4782 4.890800 105.9100 7.352999 4.568237       8.830997 
1 1 1 -5  1  38 o 74.49431 4.437519 274.2935       32.21046 317.7000       59.31305 256.1382       38.35972 79.44560 7.724774 71.78472 5.501221 7.660881       9.483437 
1 1 1 -5  1  39 o 88.42847 4.989160 387.5555       43.00912 0.000000       0.000000 387.5555       43.00912 ?        ?        88.42847 4.989160 ?              ?        
1 1 1 -5  1  40 o 27.95015 7.684108 40.47549       21.67241 25.97708       30.16879 55.93608       31.15377 25.11961 9.279583 32.73327 9.292277 -7.613663      13.13229 
1 1 1 -5  1  41 o 46.65382 5.970550 110.1642       26.64107 116.7574       32.53212 96.74000       46.41999 47.71529 7.188409 42.34551 11.07524 5.369781       13.20356 
1 1 1 -5  1  42 o 95.68398 4.062597 453.1516       37.96292 469.1672       46.84238 422.5000       64.80284 97.10400 4.944559 91.24319 7.317123 5.860817       8.831136 
1 1 1 -5  1  43 o 75.26589 3.833812 280.5730       28.15154 313.0099       40.41843 250.0115       39.23264 79.11016 5.249336 70.51395 5.733595 8.596214       7.773650 
1 1 1 -5  1  44 o 37.43950 6.415452 72.37258       22.66513 81.86612       32.14655 62.98837       31.96092 39.20650 8.612562 34.26848 9.295057 4.938023       12.67179 
1 1 1 -5  1  45 o 28.17873 7.957863 41.91949       22.90897 51.15299       32.30632 32.58021       32.49083 31.10022 9.628275 26.66212 9.664855 4.438101       13.64233 
1 1 1 -5  1  46 o 68.78084 4.125367 235.6293       27.64622 223.2202       38.85544 248.3526       39.34446 66.27627 6.056318 70.04197 5.790462 -3.765701      8.379047 
1 1 1 -5  1  47 o 68.76228 4.099411 235.9616       27.46641 218.3991       38.76887 253.6598       38.91831 65.36781 6.130715 70.69414 5.671799 -5.326324      8.351944 
1 1 1 -5  1  48 o 55.84142 4.722289 157.4130       25.56987 148.4803       36.19451 166.3129       36.12809 53.21003 7.128500 56.59250 6.648658 -3.382473      9.747829 
1 1 1 -5  1  49 o 53.61638 4.837606 145.8362       25.11554 164.3107       36.42688 129.0957       34.67530 56.03136 6.779478 49.27063 7.419972 6.760738       10.05074 
1 1 1 -5  1  50 o 33.52859 7.091274 60.57584       22.54458 47.60975       32.36964 72.79028       31.41737 29.46149 9.695098 36.03362 8.948362 -6.572124      13.19349 
1 1 1 -5  1  51 o 22.84991 8.720737 22.66308       27.11426 5.563931       32.57119 61.26000       48.93536 20.87307 8.939719 32.91862 11.87086 -12.04554      14.86055 
1 1 1 -5  1  52 o 27.22902 8.999249 40.32983       27.87948 41.81529       33.57321 37.03000       50.03904 27.96520 9.859701 28.82167 11.58884 -0.8564701     15.21561 
1 1 1 -5  1  53 o 63.85354 4.996372 208.5697       30.97964 168.6000       50.27351 233.0391       39.33560 54.16317 9.845171 66.84076 6.078690 -12.67759      11.57056 
1 1 1 -5  1  54 o 20.07388 8.748581 2.284140       32.28730 0.000000       0.000000 2.284140       32.28730 ?        ?        20.07388 8.748581 ?              ?        
1 1 1 -5  1  55 o 39.91725 6.469890 85.54932       24.41461 103.4747       34.20073 66.92220       34.86375 42.73804 8.474944 33.48856 9.927003 9.249489       13.05259 
1 1 1 -5  1  56 o 27.54247 8.886316 43.14179       27.26305 36.35772       33.77866 55.82000       46.17705 26.27652 9.797910 30.82898 11.46349 -4.552465      15.08014 
1 1 1 -5  1  57 o 20.88818 7.974861 19.54824       22.67968 16.46498       31.94339 22.68242       32.20603 22.09069 9.116077 23.27948 9.318896 -1.188793      13.03628 
1 1 1 -5  1  58 o 39.40432 7.680103 86.86230       28.55729 82.46100       34.52890 96.39000       50.80268 37.21734 9.459678 38.25272 12.10820 -1.035378      15.36535 
1 1 1 -5  1  59 o 22.27855 8.086977 25.07235       22.75839 19.22609       32.38610 30.77578       31.98805 22.61004 9.237929 24.79413 9.469849 -2.184090      13.22941 
1 1 1 -5  1  60 f 34.80226 7.221780 67.50713       23.79455 105.6823       33.81350 30.05894       33.48999 42.98460 8.337482 24.73777 9.625416 18.24683       12.73429 
1 1 1 -5  1  61 o 40.54293 6.363149 89.02283       24.42128 103.5433       34.77453 74.89263       34.30407 42.13026 8.720122 35.02108 9.682905 7.109188       13.03070 
1 1 1 -5  1  62 o 21.36822 8.116302 22.05680       23.41555 -2.698846      33.23769 46.44909       32.99286 19.13054 8.577403 27.90406 9.779252 -8.773514      13.00791 
1 1 1 -5  1  63 o 21.45638 8.483317 20.83116       26.37028 -2.988177      32.40268 67.55000       45.37975 18.78079 8.440871 31.83900 11.43782 -13.05821      14.21521 
1 1 1 -5  2  1  o 382.9378 10.27170 7208.583       384.6666 7838.000       576.3501 6703.000       516.5507 398.3867 14.80579 368.4755 14.34925 29.91116       20.61825 
1 1 1 -5  2  2  o 154.9844 4.746841 1177.637       71.92612 0.000000       0.000000 1177.637       71.92612 ?        ?        154.9844 4.746841 ?              ?        
1 1 1 -5  2  3  o 482.5904 9.033086 11433.45       426.6984 11387.79       602.6675 11479.34       604.2209 480.7060 12.81976 482.6406 12.80116 -1.934601      18.11673 
1 1 1 -5  2  4  o 403.9156 7.616250 8003.646       301.1189 8314.555       437.0617 7722.720       415.4525 411.0395 10.87263 396.1599 10.72369 14.87958       15.27127 
1 1 1 -5  2  5  o 151.1315 3.843374 1119.326       56.80954 1075.000       96.31114 1142.977       70.35152 147.9078 6.669572 152.6708 4.713371 -4.763031      8.166949 
1 1 1 -5  2  6  o 158.6494 3.431351 1232.588       53.28559 1274.445       76.67067 1193.481       74.10902 161.1980 4.864752 155.9892 4.859600 5.208801       6.876156 
1 1 1 -5  2  7  o 29.99679 3.665580 44.72590       10.53943 50.96772       14.65547 38.04008       15.16775 31.88991 4.847467 27.33471 5.845882 4.555202       7.594227 
1 1 1 -5  2  8  o 112.0903 2.846434 615.5812       31.20498 626.4816       44.42394 604.9640       43.84282 113.0184 4.022116 111.0570 4.039901 1.961441       5.700721 
1 1 1 -5  2  9  o 274.8197 5.350509 3701.719       143.9293 3715.835       204.0650 3687.745       203.0324 275.0377 7.587265 273.9966 7.577590 1.041077       10.72318 
1 1 1 -5  2  10 o 250.5226 4.939749 3074.878       121.1318 3167.534       174.5831 2988.867       168.2071 254.0356 7.027792 246.7674 6.970851 7.268250       9.898618 
1 1 1 -5  2  11 o 318.9201 6.118788 4984.276       191.0089 4907.010       267.2549 5064.956       273.0943 316.1176 8.645275 321.1625 8.695238 -5.044861      12.26165 
1 1 1 -5  2  12 o 166.8495 3.620336 1362.969       59.12622 1360.450       83.52802 1365.499       83.70650 166.5857 5.128682 166.8948 5.130104 -0.3090668     7.254057 
1 1 1 -5  2  13 f 596.2159 11.09408 17449.28       647.4423 17411.35       914.9258 17487.34       916.3192 594.4688 15.73739 595.7681 15.72691 -1.299316      22.24862 
1 1 1 -5  2  14 o 262.5945 5.964316 3377.557       153.3036 3365.928       187.5111 3401.000       266.2318 261.9860 7.319282 263.0851 10.35875 -1.099060      12.68367 
1 1 1 -5  2  15 o 203.4311 4.858690 2026.524       96.74819 2049.784       119.3743 1982.000       165.1577 204.4795 5.970631 200.8973 8.417473 3.582184       10.31999 
1 1 1 -5  2  16 o 678.7125 12.60452 22632.76       837.3722 22269.27       1171.041 23013.09       1197.861 671.7067 17.82667 682.8040 17.93827 -11.09729      25.28975 
1 1 1 -5  2  17 o 277.6134 5.436076 3774.753       147.7176 3720.202       207.0797 3831.271       210.7778 275.3881 7.689739 279.4701 7.712564 -4.081970      10.89108 
1 1 1 -5  2  18 o 363.6478 9.824642 6494.067       349.3862 0.000000       0.000000 6494.067       349.3862 ?        ?        363.6478 9.824642 ?              ?        
1 1 1 -5  2  19 o 403.2142 10.82432 7991.268       426.8248 0.000000       0.000000 7991.268       426.8248 ?        ?        403.2142 10.82432 ?              ?        
1 1 1 -5  2  20 o 246.8284 5.712874 2985.200       138.0244 2920.000       235.8897 3019.144       170.2020 243.6332 9.912293 248.0555 7.016915 -4.422348      12.14457 
1 1 1 -5  2  21 o 316.9240 7.088594 4926.004       219.8981 5047.284       274.1044 4707.000       368.3393 320.5089 8.745322 308.9292 12.20502 11.57965       15.01476 
1 1 1 -5  2  22 o 366.0682 8.067506 6578.889       289.0730 6471.708       349.9793 6809.000       512.8030 362.6623 9.868191 370.9587 14.14867 -8.296417      17.25010 
1 1 1 -5  2  23 o 321.3490 8.797071 5079.433       276.4474 5065.000       390.0590 5094.000       391.8586 320.0823 12.47368 320.9930 12.49562 -0.9107056     17.65597 
1 1 1 -5  2  24 f 341.6443 9.321036 5748.260       311.4144 5512.000       428.0183 6014.000       453.9366 333.5191 13.13668 348.3317 13.33826 -14.81259      18.72115 
1 1 1 -5  2  25 o 269.7476 5.324996 3568.251       140.5993 3488.959       195.9656 3652.367       201.8393 266.3652 7.523698 272.5279 7.573730 -6.162628      10.67555 
1 1 1 -5  2  26 o 167.6290 3.739988 1376.713       61.36568 1392.083       87.34554 1361.732       86.23351 168.3871 5.306010 166.5404 5.296668 1.846695       7.497229 
1 1 1 -5  2  27 o 141.4335 3.433778 979.9839       47.53690 984.0962       67.57212 975.9546       66.88776 141.5734 4.883491 140.9886 4.854055 0.5848083      6.885516 
1 1 1 -5  2  28 o 155.8360 4.158783 1191.279       63.37994 1263.000       112.3478 1157.799       76.76102 160.1026 7.187348 153.5375 5.114775 6.565018       8.821502 
1 1 1 -5  2  29 o 158.1510 4.230185 1227.158       65.42554 1231.787       80.27783 1218.000       112.9046 158.3505 5.186283 157.1640 7.359696 1.186462       9.003480 
1 1 1 -5  2  30 o 114.7639 3.290794 645.8610       36.92866 648.2769       52.45921 643.4879       51.99393 114.8641 4.675626 114.4407 4.651271 0.4233932      6.595134 
1 1 1 -5  2  31 o 218.9306 4.554033 2351.443       97.59080 2458.435       141.9119 2255.448       134.4210 223.4856 6.494172 214.0662 6.422505 9.419479       9.133611 
1 1 1 -5  2  32 o 258.0935 5.177191 3271.362       130.7909 3209.691       182.7434 3336.126       187.2722 255.1064 7.325953 260.0761 7.363837 -4.969666      10.38728 
1 1 1 -5  2  33 o 88.89485 3.410422 387.9676       29.61997 404.4197       42.44750 372.3537       41.35192 90.62589 4.802271 86.93967 4.878849 3.686226       6.845800 
1 1 1 -5  2  34 o 105.2247 3.387251 543.4771       34.84216 550.8696       49.35606 536.1332       49.19284 105.7867 4.778878 104.3529 4.829146 1.433853       6.793992 
1 1 1 -5  2  35 o 103.5918 3.975074 527.5710       40.23186 548.9441       49.15528 484.2000       70.02244 105.5697 4.769223 98.69883 7.299676 6.870872       8.719562 
1 1 1 -5  2  36 o 168.5676 4.550599 1398.335       75.01557 1312.000       127.4680 1444.079       92.78437 162.3283 8.047427 171.0779 5.548167 -8.749573      9.774622 
1 1 1 -5  2  37 o 86.63347 3.518520 369.1791       29.77470 330.7134       41.24925 411.0226       43.02225 81.74006 5.182229 91.22243 4.835479 -9.482368      7.087831 
1 1 1 -5  2  38 o 82.02843 4.013324 331.8441       32.12585 313.9000       52.62762 342.5022       40.55962 79.18999 6.856994 83.16430 5.005711 -3.974304      8.489730 
1 1 1 -5  2  39 o 53.70012 5.337636 144.0516       27.68527 195.2000       51.53502 123.3021       32.82397 61.67482 8.784724 49.26276 7.004313 12.41206       11.23529 
1 1 1 -5  2  40 o 52.35914 5.523000 137.4501       27.87973 173.1000       51.23443 122.4530       33.23045 57.68382 9.397259 48.98595 7.140330 8.697868       11.80224 
1 1 1 -5  2  41 o 110.9709 3.477634 607.1198       37.72793 609.5311       53.33262 604.7044       53.37811 110.7851 4.930544 110.3368 4.955028 0.4483109      6.990176 
1 1 1 -5  2  42 o 123.7435 4.078155 757.4777       49.32858 718.8754       59.11354 846.0000       89.51730 120.2097 5.035051 129.4130 7.093930 -9.203323      8.699171 
1 1 1 -5  2  43 o 63.47614 4.860274 201.3211       29.96827 212.2288       36.61880 179.2000       52.14859 64.89877 5.826442 58.22440 9.475761 6.674370       11.12374 
1 1 1 -5  2  44 o 34.09572 7.255290 61.04302       23.46932 72.76122       33.30880 49.48965       33.07372 36.78004 9.259660 30.81780 9.771456 5.962244       13.46190 
1 1 1 -5  2  45 o 62.56699 4.406152 195.3728       26.81174 208.6137       37.80149 181.9682       38.03463 64.11074 6.097131 59.64560 6.626407 4.465145       9.004681 
1 1 1 -5  2  46 o 40.20658 6.382745 83.61588       24.28110 76.22838       34.33423 91.00718       34.34310 37.40077 9.392835 41.11584 8.799217 -3.715069      12.87057 
1 1 1 -5  2  47 o 53.13217 4.945769 142.5856       25.42620 172.8181       36.87654 115.1881       35.10498 57.86660 6.630107 46.54425 7.993295 11.32235       10.38514 
1 1 1 -5  2  48 o 32.89397 7.524339 58.29939       23.69940 51.75053       34.28906 64.28925       32.79301 30.83730 9.967218 33.99210 9.493242 -3.154793      13.76470 
1 1 1 -5  2  49 o 21.52247 7.997818 20.41362       22.47006 12.09890       32.44907 28.07391       31.14591 22.07828 9.156584 24.91649 9.383868 -2.838207      13.11106 
1 1 1 -5  2  50 o 46.85233 6.359126 114.9385       28.41106 110.7910       34.75007 123.3000       49.34097 45.07103 8.177924 45.76210 11.12493 -0.6910667     13.80733 
1 1 1 -5  2  51 o 65.68150 5.001974 219.7366       31.91627 228.9092       39.31223 202.0000       54.66579 66.41653 6.115698 59.95169 9.642465 6.464848       11.41836 
1 1 1 -5  2  52 f 25.54750 8.831145 34.20284       26.85749 68.37000       45.38745 15.79268       33.31657 34.04556 11.48708 22.67636 9.328957 11.36920       14.79806 
1 1 1 -5  2  53 o 18.30907 7.861501 3.083552       25.30699 29.59000       42.04855 -11.97085      31.68889 26.42015 10.62329 18.02887 8.200720 8.391283       13.42036 
1 1 1 -5  2  54 o 16.17491 7.185079 -4.227004      22.76116 -21.59667      32.20506 13.10834       32.17323 17.01118 7.925433 21.76920 9.080249 -4.758018      12.05253 
1 1 1 -5  2  55 f 33.86367 9.736639 68.12744       33.99203 54.36000       50.49093 79.54000       45.97041 30.89378 11.87283 35.59033 11.54381 -4.696550      16.55970 
1 1 1 -5  2  56 o 15.77881 7.125348 -7.675932      23.40434 41.80052       33.55374 -54.55685      32.66177 27.43675 9.837761 14.20342 6.958029 13.23333       12.04972 
1 1 1 -5  2  57 o 39.16418 7.543714 85.32502       27.86987 61.64118       34.46132 130.1000       47.38312 32.03703 9.948513 46.01934 10.71925 -13.98231      14.62448 
1 1 1 -5  2  58 o 20.64927 8.376790 15.16671       26.40384 -10.62000      44.72035 28.96642       32.71465 21.17132 9.673082 24.53331 9.522423 -3.361994      13.57369 
1 1 1 -5  2  59 o 32.85617 7.677316 60.97097       24.24371 70.42348       34.76480 52.02208       33.82603 34.10664 9.859024 29.65102 9.915940 4.455622       13.98307 
1 1 1 -5  2  60 o 26.83819 8.178576 41.15418       23.42473 60.46084       33.48053 22.64072       32.78556 31.59938 9.804829 23.21644 9.364509 8.382940       13.55834 
1 1 1 -5  2  61 o 24.66154 8.232448 34.01865       23.31691 86.31223       32.89219 -18.80547      33.05862 38.18698 8.955765 17.28025 8.043725 20.90673       12.03774 
1 1 1 -5  2  62 o 23.60752 8.683792 29.72419       26.37153 16.26818       32.46421 55.83000       45.21843 21.78197 9.106030 29.94187 11.30014 -8.159904      14.51251 
1 1 1 -5  2  63 o 30.72290 9.855453 59.33447       33.56697 88.88000       47.76263 30.50000       47.18439 35.79165 11.77673 25.80798 10.89488 9.983664       16.04337 
1 1 1 -5  3  1  o 340.7892 7.504836 5696.296       250.3417 6423.000       470.6332 5409.545       295.6357 360.7859 13.34985 331.8062 9.111238 28.97968       16.16271 
1 1 1 -5  3  2  o 253.8684 4.972430 3157.336       123.5616 3264.135       178.6314 3059.355       171.0970 257.8992 7.082931 249.6794 7.007823 8.219742       9.963809 
1 1 1 -5  3  3  o 269.5690 5.242626 3560.543       138.3328 3724.564       201.5380 3414.433       190.2167 275.4430 7.482065 263.7291 7.375832 11.71390       10.50639 
1 1 1 -5  3  4  o 218.5831 4.378006 2340.381       93.66970 2385.882       134.0819 2297.005       130.9128 220.5132 6.218181 216.3664 6.187745 4.146729       8.772341 
1 1 1 -5  3  5  o 370.9696 7.028422 6752.115       255.2127 6959.886       368.5282 6560.647       353.7744 376.0173 10.02176 365.0893 9.908840 10.92804       14.09329 
1 1 1 -5  3  6  o 173.1832 3.654983 1468.925       61.95799 1505.010       88.76575 1434.642       86.52103 175.1576 5.183084 171.0108 5.174780 4.146835       7.324118 
1 1 1 -5  3  7  o 240.1760 4.752220 2826.738       111.7204 2884.918       159.9790 2771.354       156.0858 242.3860 6.749511 237.5672 6.719039 4.818787       9.523728 
1 1 1 -5  3  8  o 262.2072 5.130185 3369.583       131.6691 3421.637       188.0173 3319.485       184.4503 263.9367 7.284626 259.9677 7.255690 3.969025       10.28158 
1 1 1 -5  3  9  o 63.44631 2.684306 197.4299       16.63268 187.1519       23.25033 208.2030       23.80376 61.69567 3.869553 65.09417 3.751812 -3.398499      5.389762 
1 1 1 -5  3  10 o 447.3233 8.402740 9820.249       367.9160 9699.217       515.8619 9945.548       524.8787 443.7878 11.88620 449.3784 11.94334 -5.590607      16.85007 
1 1 1 -5  3  11 o 201.2630 4.134150 1983.534       81.44349 2032.700       116.7813 1936.978       113.6399 203.6020 5.865949 198.7474 5.847842 4.854599       8.282911 
1 1 1 -5  3  12 o 78.99075 3.202235 305.9557       24.70782 310.7726       30.52309 296.8000       42.08109 79.57311 3.930994 77.64313 5.574132 1.929985       6.820826 
1 1 1 -5  3  13 o 353.3349 7.771139 6118.777       268.7679 6262.103       334.5717 5858.000       451.2948 357.1906 9.578005 344.9868 13.38989 12.20374       16.46291 
1 1 1 -5  3  14 o 349.4215 7.696727 5983.684       263.2461 6044.792       324.9461 5867.000       449.0253 350.9514 9.467931 345.2757 13.31107 5.675690       16.33481 
1 1 1 -5  3  15 o 338.5272 6.474955 5614.307       214.5539 5581.496       302.2907 5647.616       304.5723 337.2442 9.165940 339.2358 9.180828 -1.991638      12.97313 
1 1 1 -5  3  16 f 257.2909 5.089974 3241.938       128.1877 3169.378       178.7887 3318.696       183.8882 254.2124 7.192402 260.1338 7.228900 -5.921356      10.19743 
1 1 1 -5  3  17 o 384.5125 8.420152 7249.481       316.9105 6880.000       528.9720 7456.350       395.8069 373.6275 14.49145 389.6336 10.38743 -16.00604      17.82978 
1 1 1 -5  3  18 o 296.6738 6.653933 4313.012       193.2252 4186.000       327.6824 4380.718       239.2459 291.6851 11.49965 298.7853 8.188206 -7.100281      14.11696 
1 1 1 -5  3  19 o 186.2733 4.006591 1699.020       73.05195 1671.919       102.5330 1726.959       104.1071 184.6472 5.679779 187.6651 5.674002 -3.017899      8.028337 
1 1 1 -5  3  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  3  21 o 148.2534 4.092367 1077.277       59.32937 1036.000       101.6459 1098.607       73.06761 145.1564 7.176225 149.6614 4.994797 -4.504974      8.743352 
1 1 1 -5  3  22 o 175.1968 4.457676 1504.647       76.38148 1467.559       92.16222 1586.000       136.4964 172.9525 5.450826 179.5815 7.783695 -6.628998      9.502495 
1 1 1 -5  3  23 o 343.3961 7.619788 5790.361       256.1205 5940.000       450.9369 5719.100       311.1861 346.3801 13.32501 340.8685 9.335471 5.511566       16.26981 
1 1 1 -5  3  24 o 122.2889 3.758591 733.2605       44.93682 717.9214       54.50894 765.8000       79.39131 120.9443 4.612888 124.7472 6.524514 -3.802902      7.990496 
1 1 1 -5  3  25 o 208.5924 5.016280 2133.306       102.4204 2068.510       123.1064 2279.000       184.5993 205.2180 6.135455 215.0224 8.789344 -9.804398      10.71897 
1 1 1 -5  3  26 o 328.6340 6.337202 5302.410       203.8526 5225.985       285.6243 5381.757       291.0341 325.6212 8.969952 330.4326 9.006580 -4.811401      12.71135 
1 1 1 -5  3  27 o 272.6323 5.381444 3646.859       143.6092 3685.587       204.5682 3609.228       201.6514 273.6227 7.645499 270.7773 7.615781 2.845428       10.79137 
1 1 1 -5  3  28 o 124.3548 3.311535 758.1493       40.27277 769.1509       57.58353 747.6157       56.34524 125.1444 4.709299 123.3807 4.674010 1.763634       6.635048 
1 1 1 -5  3  29 o 183.6507 4.605334 1655.222       82.72129 1738.000       146.5338 1616.502       100.2173 187.6779 7.994927 181.3620 5.652240 6.315903       9.791153 
1 1 1 -5  3  30 o 123.9744 3.904143 754.1815       47.31754 764.2248       58.40584 735.0000       80.71613 124.7158 4.793336 122.0623 6.782404 2.653534       8.305244 
1 1 1 -5  3  31 o 148.8613 3.622036 1086.207       52.77653 1168.364       77.39244 1014.789       72.15688 154.1833 5.135246 143.6809 5.138928 10.50249       7.264939 
1 1 1 -5  3  32 o 198.3968 4.254070 1930.936       82.61244 1969.640       118.2480 1894.032       115.4649 200.0456 6.045850 196.1697 6.020414 3.875977       8.532156 
1 1 1 -5  3  33 o 357.4779 6.894677 6298.184       241.2511 6189.633       337.2841 6411.900       345.2154 353.0155 9.770432 359.2727 9.825795 -6.257172      13.85668 
1 1 1 -5  3  34 o 126.0532 4.023348 780.5566       49.57824 837.9156       61.97443 678.6000       82.62655 130.4977 4.860298 117.0170 7.249400 13.48067       8.727903 
1 1 1 -5  3  35 o 256.9235 5.184823 3247.746       130.3899 3242.076       184.1667 3253.445       184.6325 255.9125 7.359781 256.3589 7.365530 -0.4463959     10.41237 
1 1 1 -5  3  36 o 143.8708 4.138804 1017.956       58.22400 1057.000       100.3266 998.1275       71.49567 145.9437 7.043829 142.2741 5.142363 3.669601       8.721206 
1 1 1 -5  3  37 o 182.0843 4.660651 1633.643       82.99811 1459.000       134.0549 1742.203       105.6918 170.9286 8.034872 187.7102 5.759188 -16.78160      9.885717 
1 1 1 -5  3  38 o 73.29215 3.674555 264.7526       26.27732 272.5869       37.33604 257.0630       36.98985 74.11947 5.178821 71.94615 5.289509 2.173317       7.402641 
1 1 1 -5  3  39 o 39.71851 5.897412 79.89577       22.23267 53.90816       31.23296 106.5900       31.65475 32.26123 9.350557 45.64802 7.332782 -13.38679      11.88287 
1 1 1 -5  3  40 o 62.24855 4.185749 192.0074       25.35576 192.1028       36.34588 191.9169       35.39013 61.84543 6.082633 61.85735 5.917040 -0.1192093E-01 8.485858 
1 1 1 -5  3  41 o 64.30411 4.746466 205.8799       29.66494 241.7000       54.80196 191.0338       35.28087 68.56743 8.336391 61.63432 5.920786 6.933105       10.22503 
1 1 1 -5  3  42 o 36.88464 6.546617 70.14598       22.77007 85.23611       32.62146 55.80822       31.79784 40.17685 8.557412 32.52327 9.437160 7.653576       12.73928 
1 1 1 -5  3  43 o 71.12592 4.600412 252.0072       31.85628 251.6532       39.15966 252.7000       54.77647 70.74590 5.703283 69.94678 8.153249 0.7991104      9.950020 
1 1 1 -5  3  44 f 46.81002 6.359828 112.1124       28.38706 119.4374       34.63810 97.13000       49.53832 47.90491 7.643714 41.87969 11.65757 6.025223       13.94006 
1 1 1 -5  3  45 o 71.64725 4.075548 255.2713       28.46406 284.9099       40.57362 226.5479       39.94232 75.21106 5.550427 66.79050 6.179648 8.420555       8.306341 
1 1 1 -5  3  46 o 31.73798 7.806541 53.80830       24.08146 61.77261       34.01087 45.80127       34.10198 33.70492 9.754122 29.78089 9.956250 3.924032       13.93807 
1 1 1 -5  3  47 f 63.36835 4.335239 201.0607       26.72808 207.7332       38.74183 195.0003       36.92221 63.63685 6.302331 61.68475 6.199056 1.952106       8.840117 
1 1 1 -5  3  48 o 19.20615 7.720183 10.89865       22.19945 3.129960       32.24967 17.89491       30.60443 20.64173 8.869012 22.81854 9.101025 -2.176807      12.70779 
1 1 1 -5  3  49 f 26.56767 8.800637 37.22275       26.65800 10.76563       32.65408 90.09000       46.15934 21.89756 9.141885 39.17604 11.37111 -17.27848      14.59028 
1 1 1 -5  3  50 o 31.12607 7.747184 53.12307       23.50979 44.52664       33.45326 61.51157       33.04621 28.75076 9.859321 32.92749 9.639572 -4.176731      13.78868 
1 1 1 -5  3  51 o 49.57196 5.912503 127.7054       28.12403 100.4000       47.92457 142.0482       34.73374 40.83678 11.50207 51.71514 7.044601 -10.87836      13.48792 
1 1 1 -5  3  52 o 25.16134 8.770437 32.88419       26.51558 97.86000       45.83870 0.2093930      32.50594 40.28195 11.21419 19.97117 8.739422 20.31079       14.21744 
1 1 1 -5  3  53 o 59.65667 4.539146 180.8845       26.30673 165.5157       36.68881 197.1466       37.74014 55.75257 6.867987 61.21891 6.392211 -5.466347      9.382410 
1 1 1 -5  3  54 o 36.10336 6.992303 70.93629       23.81725 75.97646       33.84980 65.99445       33.51799 36.06354 9.469851 33.53518 9.676621 2.528362       13.53939 
1 1 1 -5  3  55 o 43.14822 7.160775 101.5255       29.18358 66.44000       52.47359 117.2378       35.11538 32.97416 12.22783 45.79023 8.132543 -12.81607      14.68530 
1 1 1 -5  3  56 o 20.09308 8.302881 11.88533       26.54663 -9.292000      49.08486 20.64056       31.56063 22.30524 10.16930 22.82134 9.193993 -0.5161018     13.70928 
1 1 1 -5  3  57 o 22.92765 8.130359 27.30838       22.85562 61.41887       32.38990 -6.520595      32.25597 32.10947 9.580703 18.65204 8.399062 13.45742       12.74104 
1 1 1 -5  3  58 o 25.07325 8.802867 34.18670       26.74145 38.98565       32.71820 24.53000       46.41205 26.64424 9.692780 25.69086 10.82321 0.9533844      14.52900 
1 1 1 -5  3  59 o 25.20872 9.516900 32.73906       32.07879 6.488000       44.91188 60.08000       45.83472 23.08253 10.18079 31.37698 11.46347 -8.294456      15.33166 
1 1 1 -5  3  60 o 60.74124 4.613235 189.5186       27.22296 163.8751       38.05078 216.4072       38.96362 54.58492 7.304933 63.64418 6.338715 -9.059265      9.671678 
1 1 1 -5  3  61 o 16.48753 7.440186 -6.652138      25.46646 3.757510       31.43243 -26.54000      43.44642 19.69167 8.606031 19.18408 9.023396 0.5075817      12.46938 
1 1 1 -5  3  62 o 42.76218 8.571995 107.1337       34.62914 79.55000       48.67646 135.4000       49.27502 34.20733 11.88557 45.67146 11.12650 -11.46413      16.28084 
1 1 1 -5  3  63 o 21.88843 7.790205 25.69995       21.00046 15.17214       23.56228 66.37000       46.31118 19.67040 7.937134 31.48080 11.51950 -11.81040      13.98917 
1 1 1 -5  4  1  f 179.7086 5.316196 1583.937       93.41108 1690.000       137.0836 1492.000       127.6290 185.4361 7.568304 174.2226 7.501658 11.21349       10.65618 
1 1 1 -5  4  2  o 147.0525 4.623739 1060.412       66.47096 1167.000       98.80893 972.3000       89.83836 154.1265 6.564602 140.6597 6.543010 13.46684       9.268495 
1 1 1 -5  4  3  o 286.7624 5.542273 4030.598       155.5666 4052.761       220.9267 4008.801       219.0935 287.2258 7.865522 285.6656 7.842895 1.560120       11.10754 
1 1 1 -5  4  4  o 285.1507 5.524976 3985.814       154.2095 3870.191       214.1770 4110.279       222.2153 280.6548 7.803975 289.2279 7.856516 -8.573120      11.07370 
1 1 1 -5  4  5  o 623.5435 11.63528 19168.28       710.1495 18692.66       985.4653 19682.09       1024.264 613.3340 16.42969 629.2435 16.64441 -15.90942      23.38741 
1 1 1 -5  4  6  o 217.5631 4.372457 2319.071       93.11443 2328.459       132.1330 2309.809       131.2390 217.7967 6.204353 216.9238 6.187188 0.8728943      8.762152 
1 1 1 -5  4  7  o 345.1980 6.575950 5845.558       222.1944 5972.675       318.7237 5725.365       309.9217 348.3922 9.354765 341.1104 9.290850 7.281799       13.18452 
1 1 1 -5  4  8  o 194.7312 4.008062 1857.339       76.39698 1901.024       109.4718 1815.865       106.6661 196.8473 5.687511 192.3854 5.670512 4.461884       8.031344 
1 1 1 -5  4  9  o 377.8940 7.159266 7004.204       264.8163 6871.513       369.4138 7144.474       379.8166 373.7607 10.10676 381.1013 10.19101 -7.340576      14.35282 
1 1 1 -5  4  10 o 149.9984 3.357063 1101.588       49.28925 1102.218       69.58466 1100.954       69.82702 149.9370 4.747294 149.8498 4.766657 0.8717346E-01  6.727394 
1 1 1 -5  4  11 o 260.1953 5.894035 3316.700       150.1130 3338.150       184.7292 3275.000       257.5694 260.8694 7.241466 258.0979 10.21556 2.771576       12.52184 
1 1 1 -5  4  12 o 177.7600 4.361229 1547.207       75.88380 1616.402       95.39859 1428.000       125.2140 181.5901 5.373058 170.5308 7.519916 11.05925       9.242234 
1 1 1 -5  4  13 o 381.1374 7.219390 7118.101       269.3322 7091.733       379.7718 7144.783       382.0248 380.0645 10.21770 381.4818 10.24011 -1.417267      14.46587 
1 1 1 -5  4  14 o 423.8002 7.981523 8803.256       331.0954 8778.261       467.3250 8828.447       469.1597 422.7333 11.30411 423.9391 11.31617 -1.205872      15.99496 
1 1 1 -5  4  15 o 456.1275 9.888144 10206.49       441.4761 10070.00       756.5837 10276.95       543.6201 451.6800 17.14388 457.2634 12.15649 -5.583405      21.01649 
1 1 1 -5  4  16 o 379.2855 8.309034 7052.900       308.4771 6714.000       515.7178 7241.704       384.9308 369.1568 14.29938 384.0183 10.24974 -14.86148      17.59345 
1 1 1 -5  4  17 o 300.4894 5.825502 4423.162       171.3440 4376.327       240.5860 4471.370       244.0859 298.6446 8.238051 301.8696 8.268491 -3.225037      11.67191 
1 1 1 -5  4  18 o 562.1220 10.48791 15514.46       577.0666 14833.86       789.8451 16293.70       845.1500 548.6050 14.72206 574.8997 15.03170 -26.29468      21.04023 
1 1 1 -5  4  19 o 318.8347 6.156062 4981.435       192.1210 4967.025       271.5980 4995.867       271.8023 318.0519 8.732399 318.9769 8.713541 -0.9249878     12.33615 
1 1 1 -5  4  20 o 243.7531 4.893763 2910.595       116.7614 2914.089       165.1817 2907.107       165.0695 243.6870 6.932100 243.3943 6.935747 0.2926941      9.806049 
1 1 1 -5  4  21 o 195.8834 5.877581 1882.485       112.5670 1980.000       164.6990 1797.000       154.2060 200.6467 8.404570 191.1491 8.261318 9.497650       11.78500 
1 1 1 -5  4  22 o 205.6235 6.082259 2075.037       122.2831 2071.000       173.7379 2079.000       172.1418 205.1303 8.672406 205.5396 8.575108 -0.4093323     12.19603 
1 1 1 -5  4  23 o 237.9071 4.798286 2773.853       111.7377 2630.653       152.7477 2938.690       163.8810 231.4327 6.750064 244.6056 6.851473 -13.17290      9.618007 
1 1 1 -5  4  24 f 185.0667 3.981167 1678.005       72.11819 1619.403       99.93802 1741.681       104.1749 181.6236 5.628292 188.3593 5.656687 -6.735657      7.979710 
1 1 1 -5  4  25 o 341.7897 7.591558 5741.423       253.9780 5637.479       307.1821 5966.000       451.5191 338.2046 9.287988 346.6526 13.33171 -8.448090      16.24811 
1 1 1 -5  4  26 o 259.4586 5.962065 3304.171       151.4157 3205.347       181.6708 3529.000       274.0175 255.2670 7.278265 267.1345 10.49999 -11.86748      12.77587 
1 1 1 -5  4  27 f 148.6349 3.511871 1082.407       51.09347 1090.392       72.72852 1074.625       71.79468 149.0163 4.993196 147.9365 4.965083 1.079819       7.041595 
1 1 1 -5  4  28 o 259.5090 5.166567 3304.350       131.2384 3259.534       184.0612 3350.696       187.1761 257.3127 7.315361 260.8844 7.337155 -3.571686      10.36091 
1 1 1 -5  4  29 o 115.9793 3.295027 659.5775       37.36846 612.0946       51.93210 710.5602       53.81199 111.6035 4.764886 120.2783 4.579093 -8.674812      6.608497 
1 1 1 -5  4  30 o 295.2099 5.794158 4280.848       167.4278 4253.578       236.4056 4308.291       237.1534 293.6084 8.234022 295.5000 8.207040 -1.891571      11.62560 
1 1 1 -5  4  31 o 179.7318 4.630981 1586.112       81.40336 1705.027       103.6806 1395.000       131.4391 186.1998 5.695386 167.9932 8.016438 18.20657       9.833651 
1 1 1 -5  4  32 f 193.5981 4.862653 1841.208       92.07397 1982.161       117.4036 1616.000       148.4004 200.6864 5.983323 180.6790 8.414252 20.00742       10.32472 
1 1 1 -5  4  33 o 127.5502 3.985010 798.9207       49.69166 761.6746       59.55215 884.3000       90.16403 124.4300 4.899092 133.7612 6.909895 -9.331192      8.470405 
1 1 1 -5  4  34 o 140.3448 3.562174 966.7170       48.89524 957.1567       68.76239 976.4951       69.54082 139.4501 5.045945 140.8526 5.052109 -1.402527      7.140404 
1 1 1 -5  4  35 o 171.8993 4.486073 1453.103       75.41804 1338.000       123.4792 1521.591       95.24838 164.1785 7.705210 175.6872 5.545689 -11.50874      9.493415 
1 1 1 -5  4  36 o 84.62215 3.877689 352.4714       32.03373 350.8000       52.87042 353.4409       40.26627 83.99423 6.480766 84.59814 4.883419 -0.6039124     8.114685 
1 1 1 -5  4  37 o 101.9915 3.373276 511.3436       33.62980 515.0016       47.62077 507.7042       47.49889 102.1321 4.776754 101.4002 4.799244 0.7319107      6.771272 
1 1 1 -5  4  38 o 63.83273 3.979995 201.2767       24.74377 220.1267       35.11304 182.6823       34.87414 66.50978 5.441090 60.44006 5.972849 6.069717       8.079627 
1 1 1 -5  4  39 o 101.0597 3.420895 502.7818       33.79071 509.0120       48.00863 496.6653       47.56895 101.3866 4.851711 100.1428 4.867436 1.243729       6.872484 
1 1 1 -5  4  40 o 102.7274 3.443099 519.9253       34.57229 530.2802       49.42642 510.0059       48.37571 103.3980 4.897526 101.4003 4.888357 1.997704       6.919667 
1 1 1 -5  4  41 o 75.24880 3.790336 279.9747       27.82805 277.8554       39.74008 282.0137       38.98052 74.55051 5.484314 75.15157 5.333776 -0.6010590     7.650285 
1 1 1 -5  4  42 o 143.7768 4.265215 1023.567       59.95918 995.6000       103.7545 1037.590       73.46937 140.0491 7.597130 144.3501 5.208292 -4.301086      9.211009 
1 1 1 -5  4  43 o 18.30440 7.619917 4.921103       22.59160 9.738836       32.20372 0.2526403      31.70090 22.14699 9.147581 20.42223 8.784211 1.724760       12.68229 
1 1 1 -5  4  44 o 49.27548 5.195203 122.3702       24.68093 135.4691       34.51181 108.6583       35.31009 51.28131 7.062849 45.42287 8.245369 5.858444       10.85679 
1 1 1 -5  4  45 o 31.58960 8.655808 53.41972       27.55246 53.88400       33.79882 52.50000       47.57038 31.82257 9.847539 32.58537 11.71006 -0.7628002     15.30031 
1 1 1 -5  4  46 o 99.70222 3.649892 492.8250       35.55965 444.8445       49.08320 545.8276       51.58815 94.02098 5.355522 104.3226 5.067182 -10.30157      7.372784 
1 1 1 -5  4  47 o 100.7511 3.606345 503.9305       35.50766 524.2137       51.36674 485.3690       49.13819 102.0119 5.161051 98.16637 5.131695 3.845566       7.278100 
1 1 1 -5  4  48 f 44.21600 6.747370 102.6207       28.27897 115.7471       34.78356 77.03000       48.56706 46.45180 7.934789 36.55611 11.86599 9.895691       14.27455 
1 1 1 -5  4  49 o 67.13602 4.146842 226.1731       27.11781 233.4627       38.77771 219.1962       37.93685 67.35629 5.942514 65.21541 6.010562 2.140877       8.452239 
1 1 1 -5  4  50 o 62.21684 4.880676 196.6647       29.48533 217.4000       53.73537 187.7321       35.26910 62.85852 8.989181 60.18427 6.069783 2.674259       10.84655 
1 1 1 -5  4  51 o 64.55804 4.939952 212.1696       30.97903 246.4000       55.17779 196.4130       37.43612 67.13486 8.593514 61.35437 6.324098 5.780499       10.66971 
1 1 1 -5  4  52 o 22.01446 8.111954 22.65793       23.02939 6.848636       32.17483 39.26530       32.97694 20.88041 8.912518 27.28380 9.756351 -6.403393      13.21436 
1 1 1 -5  4  53 o 32.54750 7.480538 58.46227       23.33168 62.19547       33.04931 54.75307       32.94291 32.71409 9.656990 30.83757 9.748925 1.876526       13.72221 
1 1 1 -5  4  54 o 31.51144 8.601972 56.70491       27.26994 75.40000       48.52247 48.07395       32.96924 34.87708 11.87619 29.07366 9.790270 5.803421       15.39134 
1 1 1 -5  4  55 o 50.75359 5.193080 133.4617       25.43540 126.6898       36.55521 139.8174       35.41410 47.62832 8.132871 50.62126 7.362899 -2.992939      10.97068 
1 1 1 -5  4  56 o 21.88244 8.062880 23.29710       22.75109 4.241171       32.18102 42.33852       32.16877 20.17972 8.765114 27.48256 9.654437 -7.302834      13.03976 
1 1 1 -5  4  57 o 42.76905 6.859964 99.47670       27.74767 84.53000       48.92529 106.5640       33.68993 36.10629 11.92100 43.39150 8.233232 -7.285206      14.48780 
1 1 1 -5  4  58 o 24.40885 8.798064 31.50759       26.87646 26.42000       48.26688 33.79396       32.35686 26.19362 11.03632 25.48170 9.571441 0.7119179      14.60865 
1 1 1 -5  4  59 o 43.79036 7.123368 105.2166       29.48459 91.27344       36.19921 132.7000       50.82230 39.09328 9.544414 45.67603 11.40325 -6.582745      14.87044 
1 1 1 -5  4  60 o 30.11165 9.905981 54.49172       33.79412 54.49172       33.79412 0.000000       0.000000 30.11165 9.905981 ?        ?        ?              ?        
1 1 1 -5  4  61 o 27.88834 9.725566 45.70885       32.60744 33.25000       45.94733 58.35000       46.28226 26.53416 10.93983 30.66508 11.46194 -4.130917      15.84474 
1 1 1 -5  4  62 o 17.60000 7.277858 8.872552       20.41635 1.176976       23.02488 37.18000       44.15980 16.86806 7.368972 26.68875 10.83088 -9.820696      13.09999 
1 1 1 -5  5  1  o 366.8812 6.960101 6604.423       249.9466 6750.708       358.9796 6466.775       348.2216 370.3070 9.912709 362.4491 9.824336 7.857880       13.95634 
1 1 1 -5  5  2  o 212.0449 4.274436 2202.695       88.71822 2242.003       126.9137 2165.129       124.0677 213.7370 6.072439 210.0408 6.040879 3.696228       8.565438 
1 1 1 -5  5  3  o 361.8112 9.767785 6444.612       345.6104 6995.000       517.0208 6000.000       464.6905 375.7815 14.08106 348.1153 13.66403 27.66623       19.62096 
1 1 1 -5  5  4  o 396.6852 8.662034 7733.697       336.3351 7866.000       589.6205 7669.884       409.4911 398.0746 15.15990 394.4922 10.61438 3.582397       18.50642 
1 1 1 -5  5  5  o 347.6068 6.618915 5927.992       225.2067 5923.911       318.4678 5932.074       318.5128 346.9369 9.386596 347.1771 9.381406 -0.2402344     13.27098 
1 1 1 -5  5  6  o 164.1872 3.528219 1320.214       56.70233 1361.017       81.59164 1282.101       78.85669 166.5736 5.009878 161.6693 4.989130 4.904266       7.070381 
1 1 1 -5  5  7  o 223.1481 4.467987 2439.428       97.59136 2472.456       139.1571 2407.462       136.9006 224.4534 6.340277 221.4832 6.321250 2.970291       8.953062 
1 1 1 -5  5  8  f 444.8682 8.357679 9715.025       363.9345 10014.04       525.5068 9439.438       504.4981 450.8094 11.91956 437.7088 11.78592 13.10065       16.76257 
1 1 1 -5  5  9  o 180.8640 3.799029 1601.792       67.25597 1630.333       95.93447 1574.208       94.31481 182.3414 5.380947 179.1723 5.383885 3.169067       7.611886 
1 1 1 -5  5  10 o 315.9902 7.000232 4893.947       216.5171 4899.463       265.5164 4883.000       374.0676 315.9350 8.593914 314.9411 12.15713 0.9938660      14.88795 
1 1 1 -5  5  11 o 355.0876 7.795986 6180.477       270.9648 6210.912       333.1557 6121.000       465.7306 355.6923 9.577715 352.5706 13.52036 3.121765       16.56903 
1 1 1 -5  5  12 o 701.2896 13.01006 24165.17       893.0646 23890.55       1252.365 24449.31       1273.878 695.6809 18.40756 703.7416 18.50912 -8.060669      26.10413 
1 1 1 -5  5  13 o 356.8024 6.790820 6237.282       237.1680 6264.797       336.3007 6210.057       334.5189 357.2675 9.625515 355.7029 9.616692 1.564545       13.60630 
1 1 1 -5  5  14 o 101.3380 3.365531 503.2874       33.33720 496.6000       56.02142 506.9540       41.48138 100.5303 5.716688 101.6694 4.177175 -1.139053      7.080205 
1 1 1 -5  5  15 o 560.8276 12.07963 15449.20       663.1157 15290.00       1138.685 15530.90       815.7040 555.5300 20.97833 561.5972 14.85193 -6.067200      25.70350 
1 1 1 -5  5  16 o 283.3003 5.526686 3931.124       153.2562 3988.980       218.8173 3875.417       214.7150 285.1545 7.847083 281.0661 7.812124 4.088470       11.07276 
1 1 1 -5  5  17 o 247.7700 4.943033 3006.567       119.8804 2961.741       167.9299 3053.150       171.1902 245.7331 6.988750 249.4972 7.016791 -3.764099      9.903433 
1 1 1 -5  5  18 o 314.4186 6.071591 4843.786       186.8603 4659.787       257.3322 5049.027       271.7801 308.1007 8.541110 320.7064 8.665667 -12.60568      12.16735 
1 1 1 -5  5  19 o 362.2355 7.984443 6436.357       283.1013 6394.350       344.9706 6523.000       495.4289 360.7167 9.779362 363.5625 13.94769 -2.845764      17.03450 
1 1 1 -5  5  20 o 254.1915 5.858667 3166.729       145.7693 2883.000       238.4538 3336.025       184.1938 241.9943 10.08896 260.7025 7.225077 -18.70819      12.40923 
1 1 1 -5  5  21 o 314.6138 7.044056 4855.624       216.9236 5436.000       405.4814 4622.919       256.7550 331.8242 12.50647 306.6937 8.561165 25.13043       15.15603 
1 1 1 -5  5  22 o 159.5891 4.222902 1248.551       65.90809 1230.000       113.8975 1257.889       80.81252 158.1269 7.379069 160.1196 5.162929 -1.992676      9.005915 
1 1 1 -5  5  23 o 286.3287 6.480098 4022.893       181.6154 3961.000       311.6736 4054.714       223.4772 283.1541 11.26780 287.1601 7.958327 -4.006073      13.79486 
1 1 1 -5  5  24 o 405.6570 7.692327 8086.562       305.4379 7945.401       426.6376 8234.984       437.4752 401.1434 10.87562 408.3672 10.95440 -7.223877      15.43626 
1 1 1 -5  5  25 o 216.6127 4.459324 2299.810       94.54946 2231.049       131.2334 2374.024       136.3389 213.0998 6.298428 219.8217 6.343039 -6.721954      8.938922 
1 1 1 -5  5  26 o 243.7843 5.662904 2916.436       135.1298 2859.605       163.2739 3040.000       240.7533 241.1395 6.924561 248.0117 9.937429 -6.872192      12.11206 
1 1 1 -5  5  27 o 280.8224 6.380070 3873.893       175.3733 3855.752       213.9893 3911.000       306.0515 279.7971 7.821119 280.8856 11.15381 -1.088501      13.62268 
1 1 1 -5  5  28 o 158.9900 3.652864 1238.735       56.84725 1223.656       80.08194 1254.052       80.71005 157.8305 5.190731 159.7835 5.167267 -1.952988      7.324230 
1 1 1 -5  5  29 o 134.3522 3.418859 885.0591       44.92409 894.5153       64.15923 875.9637       62.92331 134.9409 4.865426 133.5369 4.821894 1.403976       6.850039 
1 1 1 -5  5  30 o 186.9088 4.742465 1715.168       86.69402 1548.000       144.1722 1809.849       108.5023 176.9654 8.346656 191.8559 5.784341 -14.89056      10.15506 
1 1 1 -5  5  31 o 195.5488 4.871646 1877.021       93.24751 1930.469       116.1256 1780.000       156.4570 198.0737 5.996466 189.6848 8.447871 8.388870       10.35974 
1 1 1 -5  5  32 o 198.1388 5.982324 1932.453       115.8905 2038.000       167.2623 1835.000       160.7213 202.9139 8.439739 192.4961 8.551270 10.41785       12.01472 
1 1 1 -5  5  33 f 244.7638 4.972501 2943.346       119.1320 2847.884       165.1253 3046.975       172.0437 240.2012 7.030719 248.4470 7.081774 -8.245743      9.979105 
1 1 1 -5  5  34 o 158.8436 4.291767 1239.832       66.66743 1075.000       105.6711 1348.820       85.92631 147.3150 7.351522 165.5093 5.310802 -18.19424      9.069151 
1 1 1 -5  5  35 o 144.0494 4.116211 1020.038       57.97888 970.0000       95.53438 1049.213       72.94907 139.8835 6.999531 145.9229 5.115196 -6.039413      8.669410 
1 1 1 -5  5  36 o 77.28335 3.518060 293.8232       26.54330 273.4568       37.07305 315.2440       38.02068 74.33102 5.126850 79.87151 4.886584 -5.540497      7.082605 
1 1 1 -5  5  37 o 177.5979 3.990591 1551.081       69.37151 1505.561       96.66325 1599.424       99.61563 174.4592 5.668109 179.8211 5.666606 -5.361954      8.014854 
1 1 1 -5  5  38 o 84.63236 3.483991 352.6620       28.79985 348.7271       40.76641 356.5826       40.69196 83.89494 4.986829 84.85137 4.920514 -0.9564285     7.005707 
1 1 1 -5  5  39 o 61.47151 4.123316 187.0634       24.66651 153.2949       34.66049 221.7161       35.11130 55.10963 6.553622 66.68746 5.425779 -11.57783      8.508175 
1 1 1 -5  5  40 o 164.2889 3.850410 1330.478       61.91864 1341.519       88.13975 1319.720       87.00365 164.2768 5.489079 162.9474 5.462585 1.329437       7.744019 
1 1 1 -5  5  41 o 51.94339 4.681328 134.6862       23.54644 130.4038       33.10635 139.0702       33.49647 50.53988 6.869924 52.26908 6.701034 -1.729206      9.596859 
1 1 1 -5  5  42 o 35.40136 6.677107 64.91371       22.28918 56.61117       31.13334 73.64380       31.92489 32.69197 9.292132 37.19867 8.889412 -4.506706      12.85945 
1 1 1 -5  5  43 o 20.04888 8.231037 8.331881       25.86694 45.65000       46.78080 -8.102515      31.04450 31.46815 11.56740 18.95711 8.407735 12.51104       14.30016 
1 1 1 -5  5  44 o 39.94310 7.458437 83.53826       28.08842 119.5000       50.60919 67.52977       33.76636 46.48969 11.24538 35.37995 9.535868 11.10974       14.74420 
1 1 1 -5  5  45 o 60.13768 4.563296 180.9248       26.66107 153.7593       36.96418 210.3808       38.49106 54.56536 7.088182 64.31562 6.190547 -9.750256      9.410909 
1 1 1 -5  5  46 o 79.69343 4.482487 317.4102       34.82520 294.1246       42.23069 366.9000       61.56615 76.21690 5.702035 84.15561 7.554285 -7.938713      9.464693 
1 1 1 -5  5  47 o 43.62989 8.565354 103.0090       35.27297 103.0090       35.27297 0.000000       0.000000 43.62989 8.565354 ?        ?        ?              ?        
1 1 1 -5  5  48 f 53.16376 4.958122 143.4839       25.50365 171.8932       36.92682 117.5729       35.26571 57.42888 6.694482 46.75684 7.992438 10.67204       10.42570 
1 1 1 -5  5  49 o 38.70729 7.233709 80.27869       26.39944 127.0000       47.43919 59.31922       31.77385 46.96513 10.57482 32.50743 9.433905 14.45771       14.17128 
1 1 1 -5  5  50 o 92.11536 4.243294 426.3467       38.15690 382.1000       65.45390 449.1242       46.96223 84.44303 8.014873 93.99604 5.123635 -9.553009      9.512614 
1 1 1 -5  5  51 o 36.19239 6.957668 70.43598       23.75314 69.17723       33.84618 71.65762       33.34349 34.72402 9.624693 35.40353 9.446812 -0.6795120     13.48618 
1 1 1 -5  5  52 o 28.76003 7.991118 45.95190       23.30067 72.13163       33.16798 20.44279       32.74041 35.38330 9.413071 23.34367 9.378271 12.03963       13.28751 
1 1 1 -5  5  53 o 72.81499 4.739065 270.0172       33.59338 365.2000       61.98697 230.4371       39.97234 82.12832 7.804516 66.30840 6.231686 15.81992       9.987211 
1 1 1 -5  5  54 o 69.62248 4.132281 245.0966       28.03416 257.0005       40.08484 233.6998       39.22184 70.16339 5.890993 66.76222 6.068161 3.401169       8.457326 
1 1 1 -5  5  55 o 44.27100 5.660784 102.9336       23.96978 90.28217       33.87431 115.6210       33.92252 39.49548 8.967752 45.60424 7.884509 -6.108757      11.94094 
1 1 1 -5  5  56 o 63.43084 4.285170 204.5552       26.44955 187.5431       37.49976 221.3970       37.31157 59.26086 6.575325 64.91779 5.937505 -5.656937      8.859394 
1 1 1 -5  5  57 o 78.60130 3.863324 311.8792       29.63223 348.9481       42.79759 277.7450       41.06849 82.01787 5.360323 72.77798 5.813334 9.239891       7.907460 
1 1 1 -5  5  58 o 27.73980 8.069602 43.83756       23.22322 62.06786       33.66565 27.28711       32.07708 32.12278 9.807790 24.10012 9.407930 8.022655       13.59051 
1 1 1 -5  5  59 o 22.71713 9.359897 18.76689       33.60472 21.75000       50.40476 16.38000       45.08712 25.79997 11.08664 24.32343 10.46925 1.476538       15.24856 
1 1 1 -5  5  60 f 35.22467 9.531927 74.83151       33.65779 73.64000       47.52996 76.03000       47.66895 33.73868 11.74345 34.19562 11.76765 -0.4569397     16.62487 
1 1 1 -5  5  61 o 47.05090 6.513855 120.1047       29.19560 115.1318       36.17170 129.4000       49.45382 44.50413 8.614917 44.69912 11.29907 -0.1949883     14.20865 
1 1 1 -5  5  62 o 31.82660 7.112174 57.29119       21.59787 68.40800       24.25211 14.68000       47.48113 34.69449 7.369158 23.95590 10.52046 10.73859       12.84463 
1 1 1 -5  6  1  o 489.5467 9.176231 11784.65       439.7083 12221.43       638.2164 11389.99       606.6655 497.1438 13.12683 479.9992 12.92403 17.14453       18.42130 
1 1 1 -5  6  2  o 532.1762 9.968472 13937.60       519.2664 14373.03       751.1277 13539.00       718.6553 538.6931 14.25766 522.9077 14.05346 15.78540       20.01950 
1 1 1 -5  6  3  o 218.2135 4.387328 2332.914       93.71044 2399.956       134.9162 2270.421       130.2596 221.1199 6.239712 215.0696 6.194085 6.050308       8.792081 
1 1 1 -5  6  4  o 134.5939 3.588198 887.8412       47.23026 958.6000       85.87341 857.1540       56.55198 139.6625 6.297837 132.1998 4.376328 7.462753       7.669094 
1 1 1 -5  6  5  o 273.2360 5.320102 3659.139       142.2866 3723.405       203.8075 3598.031       198.7357 275.3186 7.569912 270.6482 7.509042 4.670471       10.66252 
1 1 1 -5  6  6  o 89.46092 2.625134 392.1537       22.96260 368.7699       31.65584 418.1215       33.35912 86.69521 3.739167 92.32659 3.698805 -5.631386      5.259518 
1 1 1 -5  6  7  o 337.6702 6.443720 5589.890       212.9785 5772.137       308.0121 5422.925       294.8152 342.7066 9.190333 332.1879 9.075423 10.51874       12.91610 
1 1 1 -5  6  8  o 308.7004 5.940413 4669.722       179.4982 4788.309       258.6263 4559.510       249.3266 312.2813 8.468794 304.7355 8.366629 7.545746       11.90466 
1 1 1 -5  6  9  o 303.3138 6.742665 4508.698       200.1843 4592.161       248.3834 4354.000       338.1575 305.8891 8.303368 297.4407 11.63727 8.448456       14.29588 
1 1 1 -5  6  10 o 305.0622 6.782047 4560.069       202.5142 4616.617       250.3437 4453.000       344.4793 306.7409 8.345695 300.8776 11.71921 5.863312       14.38717 
1 1 1 -5  6  11 o 271.8658 5.307719 3619.724       141.2436 3586.993       198.4317 3653.340       201.0920 270.4401 7.503325 272.9292 7.534497 -2.489166      10.63337 
1 1 1 -5  6  12 o 302.2735 5.835434 4475.259       172.6551 4362.725       240.0127 4595.944       248.5537 298.2198 8.230134 306.0867 8.303686 -7.866882      11.69129 
1 1 1 -5  6  13 o 241.7371 5.542268 2862.054       131.1405 2843.000       224.9372 2871.865       161.4107 240.5692 9.571562 242.0102 6.820649 -1.440994      11.75313 
1 1 1 -5  6  14 o 466.1964 10.09864 10663.49       460.8272 10690.00       798.2106 10650.23       564.3835 465.2794 17.55810 465.4489 12.39890 -0.1695251     21.49463 
1 1 1 -5  6  15 o 316.4155 6.091024 4904.600       188.6489 4840.602       264.2710 4971.097       269.3820 314.0790 8.604264 318.2827 8.654715 -4.203613      12.20399 
1 1 1 -5  6  16 o 540.5616 10.09411 14340.69       534.0963 14319.80       754.4351 14361.69       756.2204 539.2291 14.30626 540.0146 14.31924 -0.7855225     20.24129 
1 1 1 -5  6  17 o 273.8800 5.375163 3674.226       144.0981 3571.285       199.8394 3785.719       207.9749 269.7975 7.574728 277.7781 7.656338 -7.980652      10.77014 
1 1 1 -5  6  18 o 416.3549 9.087439 8507.222       370.3492 8337.260       446.8712 8880.000       661.8066 411.7520 11.09779 423.8807 15.97937 -12.12869      19.45510 
1 1 1 -5  6  19 o 429.9203 11.51650 9098.411       484.1984 0.000000       0.000000 9098.411       484.1984 ?        ?        429.9203 11.51650 ?              ?        
1 1 1 -5  6  20 o 420.4698 7.945435 8676.609       327.0082 8244.318       445.8985 9179.669       481.0143 409.1650 11.14387 431.7089 11.39306 -22.54391      15.93699 
1 1 1 -5  6  21 o 137.7981 3.368138 929.8439       45.42964 917.0726       63.68570 943.0756       64.82384 136.7268 4.765921 138.6527 4.783558 -1.925964      6.752513 
1 1 1 -5  6  22 o 448.2738 8.460587 9875.384       371.2360 9225.366       500.1583 10672.79       553.9698 432.2626 11.83211 464.8392 12.18574 -32.57654      16.98503 
1 1 1 -5  6  23 o 339.6277 7.542092 5666.253       250.7270 5495.000       425.6592 5757.239       310.2637 332.9693 13.08573 341.8945 9.279710 -8.925232      16.04211 
1 1 1 -5  6  24 o 272.3043 6.207205 3638.979       165.4462 3499.000       280.0013 3714.065       205.0743 266.0690 10.77355 274.8018 7.631434 -8.732819      13.20258 
1 1 1 -5  6  25 o 135.8045 3.922054 904.4594       52.08094 882.3000       90.15014 915.5601       63.80594 133.8411 6.904640 136.5690 4.780498 -2.727814      8.398048 
1 1 1 -5  6  26 o 192.6394 4.090739 1818.837       77.13528 1794.793       108.1398 1843.741       110.0570 191.1371 5.786750 193.7252 5.810542 -2.588135      8.200541 
1 1 1 -5  6  27 o 195.2198 4.792762 1869.184       91.58321 1820.958       110.3375 1976.000       164.2094 192.4946 5.862801 200.1050 8.402358 -7.610489      10.24559 
1 1 1 -5  6  28 o 305.4324 6.883667 4587.276       205.7980 4541.230       250.4513 4683.000       361.1074 303.4216 8.440979 306.8921 12.04449 -3.470520      14.70782 
1 1 1 -5  6  29 o 194.2839 5.872804 1855.776       111.5551 1955.000       161.3920 1765.000       154.3678 198.9692 8.305123 189.0240 8.363929 9.945145       11.78687 
1 1 1 -5  6  30 o 114.7916 3.864281 646.7480       43.35762 627.1713       52.92485 686.7000       75.60639 112.9508 4.797934 117.9781 6.573118 -5.027222      8.137938 
1 1 1 -5  6  31 o 219.3632 5.271818 2363.492       113.1958 2280.185       135.7071 2554.000       205.2191 215.1771 6.450464 227.0103 9.255027 -11.83315      11.28113 
1 1 1 -5  6  32 o 204.8742 4.347094 2059.756       87.17513 1999.771       121.3496 2123.726       125.3145 201.5046 6.159669 207.6588 6.172012 -6.154205      8.719820 
1 1 1 -5  6  33 o 166.7346 4.406492 1365.822       71.85285 1400.000       123.5695 1348.362       88.31876 168.1974 7.524658 165.4951 5.459546 2.702332       9.296619 
1 1 1 -5  6  34 f 102.0567 3.855399 511.8999       38.44461 435.8000       60.02957 564.8153       50.05690 93.75738 6.582978 107.0912 4.787436 -13.33387      8.139727 
1 1 1 -5  6  35 o 27.29449 7.434095 38.10942       20.39454 52.14181       28.23172 22.79400       29.49414 31.87046 8.773456 24.47977 9.149961 7.390686       12.67657 
1 1 1 -5  6  36 o 119.7893 3.404346 705.0032       39.87653 673.4904       55.34825 739.0151       57.50120 116.8457 4.849870 122.4150 4.808188 -5.569344      6.829342 
1 1 1 -5  6  37 o 80.91084 3.534631 322.2764       27.92595 284.8240       38.35779 364.5167       40.73591 75.78779 5.202239 85.84427 4.867920 -10.05648      7.124600 
1 1 1 -5  6  38 o 66.96055 3.808753 221.3291       24.86070 199.6487       34.74330 244.0772       35.58862 63.24622 5.672339 70.07436 5.226182 -6.828144      7.712873 
1 1 1 -5  6  39 o 70.22062 3.744465 243.4601       25.64411 249.2942       36.63193 237.8532       35.91130 70.74602 5.329129 69.08933 5.351941 1.656685       7.552674 
1 1 1 -5  6  40 o 113.8893 3.450092 639.2059       38.41657 623.5939       54.07278 655.1177       54.58937 112.0837 4.940815 114.9115 4.864318 -2.827797      6.933487 
1 1 1 -5  6  41 o 47.57481 5.073647 113.5956       23.26256 126.3707       32.86213 100.7642       32.93443 49.70248 6.944058 43.98972 7.940930 5.712757       10.54885 
1 1 1 -5  6  42 o 26.11331 7.862834 35.12201       21.74149 12.90532       29.87386 60.14055       31.70171 22.12786 8.934175 33.60821 9.314562 -11.48036      12.90661 
1 1 1 -5  6  43 o 124.6962 3.564862 768.2756       43.46664 730.7016       60.26830 809.0063       62.74893 121.0067 5.099742 127.3624 5.043342 -6.355743      7.172354 
1 1 1 -5  6  44 o 26.58418 8.808931 35.44702       26.70767 46.83000       48.36833 30.45409       32.03397 31.73592 11.74508 26.14124 9.578247 5.594673       15.15552 
1 1 1 -5  6  45 o 36.19297 7.987536 69.79855       27.53802 21.87000       48.61568 92.44219       33.41584 27.58760 11.30042 41.59715 8.494516 -14.00955      14.13706 
1 1 1 -5  6  46 o 76.37730 4.496335 291.8374       33.46599 285.8723       40.91236 303.9000       58.17849 75.14244 5.602736 76.26689 7.907906 -1.124451      9.691524 
1 1 1 -5  6  47 f 55.85747 5.467669 158.9106       29.51192 128.4884       36.14011 219.8000       51.12877 49.20052 7.761340 64.27125 8.322438 -15.07072      11.37987 
1 1 1 -5  6  48 o 24.64909 9.309904 27.06315       30.70659 20.42000       43.45237 33.69000       43.39903 25.76052 10.63153 27.89283 10.92705 -2.132309      15.24565 
1 1 1 -5  6  49 o 32.43373 8.188766 57.98203       25.99693 92.59000       43.74701 39.08849       32.32340 39.78358 10.90927 27.46838 9.675303 12.31519       14.58162 
1 1 1 -5  6  50 o 113.6325 3.561963 643.6730       39.56957 610.5979       55.00334 679.1533       56.96802 109.5959 5.141630 115.6769 5.043396 -6.081001      7.202236 
1 1 1 -5  6  51 o 58.68705 4.575928 174.6460       26.07856 178.2616       36.63571 170.9320       37.13058 58.27225 6.535465 56.89293 6.802204 1.379326       9.433043 
1 1 1 -5  6  52 o 50.73770 5.969715 134.4810       29.08098 131.0543       36.32216 140.6000       48.53743 49.01578 7.834243 48.95628 10.44729 0.5950165E-01  13.05838 
1 1 1 -5  6  53 o 46.53747 5.585830 112.7350       24.93674 162.1950       35.74064 65.81835       34.80956 55.22349 6.752279 33.50392 9.916169 21.71957       11.99682 
1 1 1 -5  6  54 o 56.84765 4.694524 165.3436       25.88959 176.9840       37.07927 154.2703       36.16467 57.58052 6.704081 53.46725 7.084359 4.113262       9.753607 
1 1 1 -5  6  55 o 32.10284 7.269755 57.25088       22.31124 76.97678       31.88351 38.32254       31.23230 36.33780 9.009028 26.50465 9.492790 9.833153       13.08723 
1 1 1 -5  6  56 o 51.42382 4.982364 136.5643       24.76491 137.5144       35.15341 135.6282       34.89378 50.11605 7.387434 49.76659 7.386962 0.3494606      10.44708 
1 1 1 -5  6  57 o 42.90908 5.890759 97.60852       24.08918 111.9381       34.24902 83.57915       33.88833 44.55041 8.154394 37.63480 9.262874 6.915604       12.34079 
1 1 1 -5  6  58 o 37.59937 7.760621 79.54223       27.61436 103.1420       34.13137 34.82000       46.98521 42.42415 8.515531 27.22004 11.12486 15.20411       14.00988 
1 1 1 -5  6  59 o 24.31357 9.407298 28.88414       31.85220 41.16000       44.99257 16.55000       45.09926 27.91062 11.06644 24.29990 10.46501 3.610720       15.23097 
1 1 1 -5  6  60 o 53.24450 5.404428 148.4496       27.77656 178.1620       33.75044 86.08000       48.89865 57.91593 6.042310 36.07170 11.91810 21.84423       13.36228 
1 1 1 -5  6  61 o 20.40469 8.180126 16.49737       24.85355 16.49737       24.85355 0.000000       0.000000 20.40469 8.180126 ?        ?        ?              ?        
1 1 1 -5  6  62 o 30.14787 8.800743 54.78063       27.57939 55.72457       34.14844 53.01000       46.76964 29.88722 9.962425 29.28231 11.38010 0.6049080      15.12470 
1 1 1 -5  7  1  f 100.5941 3.810527 496.3228       37.45222 480.4000       53.00340 512.2000       52.92757 98.84628 5.499876 102.0901 5.314840 -3.243813      7.648278 
1 1 1 -5  7  2  o 273.7204 6.169447 3673.812       165.2949 3306.000       266.5058 3903.763       210.7225 258.9753 10.53537 281.9108 7.643531 -22.93549      13.01605 
1 1 1 -5  7  3  f 195.5018 4.020538 1872.043       76.93803 1851.283       108.2225 1893.257       109.4007 194.2554 5.697809 196.4473 5.695431 -2.191895      8.056238 
1 1 1 -5  7  4  o 324.2806 8.827904 5168.714       279.9501 5644.000       420.0834 4789.000       375.4794 338.1078 12.71595 311.4899 12.33946 26.61789       17.71885 
1 1 1 -5  7  5  o 279.6211 5.432123 3831.335       148.6777 3730.818       206.4243 3939.690       214.3219 275.6560 7.657876 283.2637 7.737064 -7.607758      10.88601 
1 1 1 -5  7  6  o 333.0329 7.359776 5439.086       239.9153 5009.000       393.1442 5694.289       302.8428 318.7265 12.62664 340.4553 9.095783 -21.72885      15.56166 
1 1 1 -5  7  7  o 408.2278 7.705009 8171.912       307.8803 8444.898       446.4693 7924.395       425.1311 414.4268 11.01597 401.4747 10.82817 12.95215       15.44671 
1 1 1 -5  7  8  o 496.6989 10.73829 12114.24       522.0767 12524.55       655.0924 11400.00       864.3027 504.4290 13.27927 479.9547 18.43178 24.47433       22.71717 
1 1 1 -5  7  9  o 337.3977 7.436733 5579.196       245.6012 5708.920       305.9243 5344.000       411.9268 341.0502 9.172420 329.5104 12.79590 11.53983       15.74384 
1 1 1 -5  7  10 o 244.6090 4.845458 2929.962       116.0148 2944.930       164.6214 2915.194       163.5236 245.0684 6.869441 243.8278 6.858397 1.240662       9.707051 
1 1 1 -5  7  11 o 346.8268 6.608282 5893.061       224.3404 5896.860       317.3839 5889.268       317.1467 346.6365 9.362724 346.4131 9.361768 0.2233276      13.24022 
1 1 1 -5  7  12 o 401.2897 8.746306 7895.434       343.5492 8387.000       619.7939 7677.420       412.7610 412.5351 15.37591 395.3933 10.67482 17.14172       18.71819 
1 1 1 -5  7  13 f 198.5896 4.735232 1931.200       92.04581 2016.000       161.8242 1890.642       111.9132 202.6290 8.175767 196.3793 5.828546 6.249649       10.04067 
1 1 1 -5  7  14 o 31.28196 5.221373 49.21915       15.42450 40.19754       20.89779 60.01568       22.86129 28.14510 7.464516 34.37226 7.032204 -6.227160      10.25529 
1 1 1 -5  7  15 o 266.2179 5.239493 3471.126       136.5315 3435.432       191.8586 3507.747       194.3345 264.6447 7.413786 267.4162 7.431513 -2.771545      10.49722 
1 1 1 -5  7  16 o 532.0357 9.937117 13892.74       517.4965 13468.72       715.7733 14357.13       749.0621 522.9427 13.99606 539.8796 14.18702 -16.93683      19.92891 
1 1 1 -5  7  17 o 244.1999 5.664243 2921.510       135.3922 2679.000       222.8730 3063.351       170.4481 233.4084 9.776822 249.8954 6.975136 -16.48705      12.00994 
1 1 1 -5  7  18 o 418.4018 7.899132 8587.117       323.5036 8554.729       456.1625 8619.889       458.8559 416.9901 11.18614 418.5717 11.20963 -1.581635      15.83621 
1 1 1 -5  7  19 o 460.9065 8.664537 10429.39       390.8988 10248.49       546.0966 10619.47       559.7865 456.0218 12.24534 464.1854 12.33132 -8.163666      17.37843 
1 1 1 -5  7  20 o 131.2103 3.781556 843.8515       48.51673 709.3000       75.94220 936.6395       63.06445 120.0928 6.484457 138.1902 4.669016 -18.09734      7.990487 
1 1 1 -5  7  21 o 264.1981 7.402068 3428.962       191.2321 3331.000       266.4654 3533.000       274.6042 259.9010 10.49593 267.6768 10.50107 -7.775757      14.84712 
1 1 1 -5  7  22 o 220.8553 5.235143 2391.264       113.1730 2415.000       197.0966 2379.589       138.2325 221.3840 9.115001 220.1286 6.422319 1.255356       11.15031 
1 1 1 -5  7  23 o 334.3316 7.440089 5491.366       243.4792 5230.000       408.0887 5635.830       303.3954 324.8113 12.86105 338.2458 9.172157 -13.43442      15.79668 
1 1 1 -5  7  24 o 126.3783 3.260923 782.8043       40.30475 764.6608       56.44965 801.6725       57.56578 124.8111 4.628655 127.8016 4.609288 -2.990486      6.532227 
1 1 1 -5  7  25 o 242.4613 5.642087 2884.719       133.9024 2679.000       222.0626 3002.255       167.8510 232.8470 9.764804 247.0877 6.947011 -14.24065      11.98384 
1 1 1 -5  7  26 o 147.6416 4.080416 1069.230       58.91187 1033.000       101.6164 1087.572       72.30258 144.7708 7.193484 148.8232 4.970348 -4.052399      8.743602 
1 1 1 -5  7  27 o 165.6111 3.733373 1344.118       60.51972 1358.140       85.92732 1330.315       85.25229 166.2775 5.286203 164.5621 5.299522 1.715347       7.485244 
1 1 1 -5  7  28 o 224.4236 4.604993 2470.335       101.1588 2498.694       144.0659 2442.754       142.0753 225.3667 6.537691 222.8306 6.520859 2.536087       9.233797 
1 1 1 -5  7  29 o 109.4868 4.717680 589.1931       50.44014 589.1931       50.44014 0.000000       0.000000 109.4868 4.717680 ?        ?        ?              ?        
1 1 1 -5  7  30 o 65.90931 5.486310 214.8344       35.07363 214.8344       35.07363 0.000000       0.000000 65.90931 5.486310 ?        ?        ?              ?        
1 1 1 -5  7  31 f 195.1482 4.203565 1868.175       80.29501 1900.347       114.8084 1837.371       112.3404 196.4985 5.976035 193.2174 5.947039 3.281097       8.430911 
1 1 1 -5  7  32 o 137.7170 3.998880 931.2289       53.84830 920.8000       90.29345 936.9854       67.08317 136.5305 6.777668 138.0208 4.973628 -1.490372      8.406769 
1 1 1 -5  7  33 o 303.9669 6.888652 4558.556       204.9589 4121.000       330.4022 4832.254       261.3140 286.5685 11.80427 312.1659 8.560144 -25.59747      14.58139 
1 1 1 -5  7  34 o 60.50611 4.557392 180.9194       26.79278 163.9000       41.44093 193.1429       35.12015 57.05719 7.609715 62.34517 5.822358 -5.287987      9.581629 
1 1 1 -5  7  35 o 108.7249 3.865249 581.3118       41.06966 560.1024       49.42907 628.6000       73.80648 106.5900 4.749543 112.5346 6.731184 -5.944611      8.238143 
1 1 1 -5  7  36 o 140.2502 3.576484 966.7725       49.05820 960.8379       68.99382 972.8414       69.77024 139.5236 5.060299 140.3876 5.085732 -0.8639832     7.174350 
1 1 1 -5  7  37 f 70.80881 3.689653 247.1672       25.48462 231.5053       35.14552 264.5331       37.00795 68.25568 5.302029 73.00620 5.213105 -4.750519      7.435588 
1 1 1 -5  7  38 o 172.1598 3.917594 1459.329       66.01727 1421.114       92.17545 1499.579       94.59664 169.2847 5.570360 173.9024 5.564464 -4.617737      7.873510 
1 1 1 -5  7  39 o 63.90202 4.030007 202.0980       25.07893 160.4581       34.74801 247.3716       36.23248 56.39633 6.408165 70.45914 5.292244 -14.06282      8.310982 
1 1 1 -5  7  40 o 100.4040 3.433922 497.0259       33.69830 470.7430       47.13390 524.5079       48.19705 97.31921 4.964389 102.7889 4.803646 -5.469673      6.907979 
1 1 1 -5  7  41 o 179.5324 4.057670 1592.661       71.30593 1553.769       99.61397 1633.531       102.1162 176.3760 5.777779 180.8520 5.775937 -4.475998      8.169710 
1 1 1 -5  7  42 o 64.36324 4.090742 205.7394       25.63852 198.5738       35.71686 213.3567       36.82523 62.74172 5.884492 65.06622 5.844272 -2.324497      8.293537 
1 1 1 -5  7  43 o 43.96832 5.510737 98.02779       23.19727 115.7417       32.57539 79.80353       33.04135 47.27592 7.272203 38.60684 8.922463 8.669075       11.51066 
1 1 1 -5  7  44 o 25.27497 7.959338 32.68572       21.97834 7.870890       30.65391 58.93702       31.52867 21.29380 8.871143 33.10381 9.331167 -11.81001      12.87509 
1 1 1 -5  7  45 o 49.67300 5.794274 125.6628       27.64406 107.7288       33.78396 162.0000       48.08929 45.18253 7.927949 55.00233 9.260912 -9.819805      12.19085 
1 1 1 -5  7  46 o 47.80923 6.270434 117.8179       28.63714 86.58000       51.11599 132.1075       34.57207 38.97209 12.11861 50.27204 7.233729 -11.29995      14.11339 
1 1 1 -5  7  47 o 43.34770 8.114986 101.1455       33.16666 0.000000       0.000000 101.1455       33.16666 ?        ?        43.34770 8.114986 ?              ?        
1 1 1 -5  7  48 o 20.60878 7.894409 16.98974       22.27307 -8.401873      31.05156 43.89907       31.96610 18.53077 8.300877 28.65180 9.640138 -10.12103      12.72151 
1 1 1 -5  7  49 o 43.02216 6.452242 97.31608       26.33431 87.70397       32.68526 115.1000       44.45866 39.77321 8.643116 44.68357 10.36596 -4.910358      13.49654 
1 1 1 -5  7  50 o 31.88476 7.406192 55.47631       22.67129 39.01065       31.81874 72.45540       32.31101 27.26624 9.599866 35.74718 9.185383 -8.480940      13.28641 
1 1 1 -5  7  51 o 49.50794 5.935699 127.6988       28.19146 130.8349       35.10162 122.0000       47.31760 49.26320 7.517161 45.41944 10.80175 3.843761       13.16000 
1 1 1 -5  7  52 o 47.42745 5.558714 116.7667       25.31628 96.69069       35.00252 138.7894       36.66023 41.32246 8.915844 50.56295 7.645753 -9.240486      11.74520 
1 1 1 -5  7  53 o 36.07778 7.094603 70.89077       24.16056 59.72361       33.37680 83.18364       35.01870 32.02153 9.763413 37.82270 9.478796 -5.801170      13.60779 
1 1 1 -5  7  54 o 41.75272 5.898826 92.14070       23.43697 109.9977       33.36534 74.74798       32.92873 44.44021 7.962790 35.68776 9.325078 8.752449       12.26226 
1 1 1 -5  7  55 o 43.12254 5.564517 97.65024       22.94060 100.1306       32.73170 95.25551       32.16162 42.08275 8.241191 40.97951 8.302803 1.103245       11.69845 
1 1 1 -5  7  56 f 34.58555 7.008308 65.77846       22.91172 93.88120       33.11381 39.96840       31.73433 40.46461 8.624265 26.89401 9.575845 13.57059       12.88700 
1 1 1 -5  7  57 o 45.44550 6.499850 111.1094       28.09100 137.8980       34.43203 57.79000       48.57692 50.21030 7.212655 31.07484 11.71567 19.13546       13.75788 
1 1 1 -5  7  58 o 23.60546 8.249292 29.73980       23.46665 52.66964       27.97781 -24.67000      43.09746 30.00477 8.892404 19.41944 9.087070 10.58532       12.71415 
1 1 1 -5  7  59 o 40.01171 6.132421 85.94209       23.25294 85.26623       26.30277 88.36000       49.75021 39.28761 7.101037 36.47018 12.02019 2.817432       13.96101 
1 1 1 -5  7  60 o 34.36722 6.803064 65.13945       22.07501 48.74507       24.95606 124.1000       47.32703 28.98153 8.345784 44.27930 10.97510 -15.29777      13.78785 
1 1 1 -5  7  61 o 26.33090 8.404994 40.12666       24.43639 30.57504       28.79659 64.70000       46.18856 24.09136 9.033648 31.64961 11.51609 -7.558252      14.63650 
1 1 1 -5  7  62 o 22.13095 8.279094 25.16141       24.15748 11.29173       27.98833 65.68000       47.83777 19.89999 8.395365 31.40543 11.66972 -11.50544      14.37583 
1 1 1 -5  8  1  o 389.4845 7.380137 7440.589       281.3590 7487.585       400.0879 7394.607       395.7509 390.1393 10.48633 387.7169 10.43749 2.422394       14.79542 
1 1 1 -5  8  2  o 335.5928 6.410412 5520.775       210.5740 5610.771       301.1498 5434.678       294.5531 337.9184 9.112994 332.5777 9.056673 5.340759       12.84796 
1 1 1 -5  8  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  8  4  o 294.3380 5.687726 4244.818       163.8669 4295.520       233.6783 4195.763       229.8545 295.8114 8.078000 292.3580 8.039783 3.453430       11.39703 
1 1 1 -5  8  5  o 439.0440 8.254399 9454.500       354.7315 9595.566       507.3423 9319.573       496.1761 441.6610 11.74604 435.2754 11.65619 6.385559       16.54800 
1 1 1 -5  8  6  f 583.1563 10.87347 16700.84       620.6680 16767.37       880.6494 16635.18       874.8932 583.1004 15.44315 580.8074 15.40282 2.293030       21.81141 
1 1 1 -5  8  7  o 179.9251 4.372654 1585.185       77.00930 1534.101       93.08192 1696.000       137.0958 176.8976 5.381988 185.8620 7.551491 -8.964447      9.273123 
1 1 1 -5  8  8  o 322.3678 7.134194 5092.412       225.1142 5149.776       278.3721 4984.000       382.6859 323.9552 8.786904 318.2895 12.30645 5.665680       15.12146 
1 1 1 -5  8  9  o 593.3813 11.04754 17281.81       641.6613 17735.12       925.6648 16862.52       890.2625 600.0180 15.77466 585.1125 15.55815 14.90546       22.15617 
1 1 1 -5  8  10 o 584.6956 10.88263 16777.79       622.8306 17270.95       899.1849 16322.96       863.5276 592.1822 15.52610 575.7334 15.33683 16.44879       21.82379 
1 1 1 -5  8  11 o 296.3042 6.606985 4301.327       191.6229 4500.000       340.8839 4209.544       231.6957 302.5315 11.53256 292.9391 8.088172 9.592407       14.08611 
1 1 1 -5  8  12 o 406.2215 8.852484 8091.646       351.9932 8852.000       648.3865 7773.922       419.1327 423.7296 15.65982 397.8382 10.77305 25.89148       19.00759 
1 1 1 -5  8  13 o 409.8712 7.732668 8234.391       310.2295 8207.689       437.7909 8261.321       439.6766 408.7486 10.95206 410.0813 10.96344 -1.332642      15.49660 
1 1 1 -5  8  14 o 514.6642 9.618822 12995.63       484.5650 12669.92       672.9442 13346.36       698.3166 507.3770 13.56225 520.7224 13.71254 -13.34537      19.28648 
1 1 1 -5  8  15 o 92.75726 3.597998 421.8754       32.60548 415.1365       38.52184 438.9000       61.22825 91.97554 4.290689 94.40473 6.668927 -2.429192      7.929981 
1 1 1 -5  8  16 o 203.8316 4.938437 2034.919       98.52975 1790.000       159.7937 2185.160       125.1534 190.8359 8.576388 211.0951 6.063290 -20.25922      10.50323 
1 1 1 -5  8  17 o 305.1125 5.908450 4561.710       176.4573 4468.500       245.8737 4660.708       253.3928 301.6824 8.334358 308.0983 8.410177 -6.415863      11.84030 
1 1 1 -5  8  18 o 306.3729 5.934167 4600.371       177.9575 4384.728       243.3243 4848.364       260.9378 298.7859 8.328043 314.1754 8.492921 -15.38950      11.89479 
1 1 1 -5  8  19 o 205.8537 4.279659 2075.661       86.23313 2166.568       125.0569 1993.253       119.0675 210.1360 6.086379 201.5523 6.042128 8.583633       8.576206 
1 1 1 -5  8  20 o 458.7876 8.635305 10341.27       387.7891 9864.431       530.1740 10889.89       568.6820 447.0899 12.12603 469.6884 12.38033 -22.59851      17.32954 
1 1 1 -5  8  21 o 347.4038 6.652622 5922.125       226.2214 5682.124       310.8206 6192.462       329.8802 339.7328 9.355776 354.6375 9.511687 -14.90479      13.34177 
1 1 1 -5  8  22 o 230.8621 5.425453 2613.532       122.6013 2471.000       205.3293 2692.504       152.8370 223.8508 9.391867 234.1127 6.676381 -10.26186      11.52307 
1 1 1 -5  8  23 o 199.9541 4.186206 1959.228       81.93267 1958.194       115.5863 1960.272       116.1564 199.6885 5.920071 199.7914 5.946255 -0.1029816     8.390780 
1 1 1 -5  8  24 o 74.30836 3.196184 270.9577       23.19312 243.6388       31.68821 302.4779       34.03772 70.34560 4.627788 78.42873 4.452116 -8.083122      6.421663 
1 1 1 -5  8  25 f 303.0488 5.893563 4508.219       174.8223 4360.658       241.6962 4670.129       253.1751 297.4944 8.308267 307.8525 8.409673 -10.35815      11.82159 
1 1 1 -5  8  26 o 140.3671 3.998597 966.5042       54.88280 862.1000       92.10136 1023.990       68.34193 132.2173 7.143108 144.4088 4.841744 -12.19153      8.629396 
1 1 1 -5  8  27 o 149.0893 4.127281 1090.524       60.17260 1030.000       103.2213 1121.679       74.05769 144.5040 7.321514 151.1184 5.013585 -6.614410      8.873590 
1 1 1 -5  8  28 o 221.5154 5.269476 2408.556       114.2556 2439.748       141.4500 2350.000       193.8076 222.6824 6.496437 217.9893 9.103033 4.693115       11.18342 
1 1 1 -5  8  29 o 334.6287 7.477933 5515.298       244.9351 5372.947       294.8880 5832.000       439.8473 329.6400 9.148108 341.5872 13.17983 -11.94727      16.04356 
1 1 1 -5  8  30 o 150.8741 4.207239 1117.424       62.07175 1153.875       77.24763 1051.000       104.2789 153.2018 5.158638 145.8648 7.327108 7.337021       8.960918 
1 1 1 -5  8  31 o 221.6003 6.475249 2419.263       140.3030 2489.000       200.2352 2352.000       196.6502 224.0450 9.149843 217.7512 9.247358 6.293823       13.00897 
1 1 1 -5  8  32 o 109.2470 3.766995 586.1088       40.22172 515.9000       63.69661 632.6693       51.87154 102.1440 6.403057 113.4058 4.682990 -11.26173      7.932813 
1 1 1 -5  8  33 o 289.9366 5.730975 4138.627       162.6439 4081.795       228.3517 4197.145       231.7115 286.9677 8.137740 290.9950 8.142974 -4.027283      11.51220 
1 1 1 -5  8  34 o 113.6320 3.382552 634.0453       37.58095 649.7609       53.23048 618.4274       53.06490 114.8502 4.745248 112.0255 4.850814 2.824661       6.785851 
1 1 1 -5  8  35 o 112.0251 3.799422 617.1180       41.60162 616.0000       69.02273 617.7559       52.13560 111.4519 6.353328 111.9309 4.769522 -0.4790268     7.944376 
1 1 1 -5  8  36 o 93.35516 3.859644 429.1635       35.19283 416.0716       42.39059 458.2000       63.13064 91.77498 4.734889 95.87164 6.770901 -4.096664      8.262219 
1 1 1 -5  8  37 o 60.24874 3.971372 179.4091       23.28982 176.9138       32.37860 182.0842       33.52485 59.53419 5.622913 60.38060 5.741360 -0.8464127     8.036191 
1 1 1 -5  8  38 o 100.6192 3.392011 498.4088       33.35977 453.0715       45.74196 549.9220       48.75803 95.61922 4.903613 105.4099 4.737728 -9.790627      6.818466 
1 1 1 -5  8  39 o 135.5684 3.537042 905.4608       46.89578 919.2306       66.74911 892.0388       65.90034 136.1433 5.017489 134.1078 5.029183 2.035538       7.104075 
1 1 1 -5  8  40 o 96.65678 3.431153 460.7587       32.41076 436.2688       45.17796 486.7286       46.52310 93.66265 4.945333 98.98439 4.816164 -5.321739      6.903025 
1 1 1 -5  8  41 o 89.01389 3.543344 391.3254       30.81121 348.0122       42.48272 439.3920       44.75315 83.48574 5.224884 93.95734 4.882918 -10.47160      7.151385 
1 1 1 -5  8  42 o 80.18330 3.656794 318.1000       28.62503 308.7808       39.80393 328.0823       41.19574 78.56285 5.205453 80.98441 5.224784 -2.421562      7.375304 
1 1 1 -5  8  43 o 62.49356 4.171713 194.3474       25.37241 202.6957       35.60594 185.7351       36.16460 63.34831 5.806767 60.48796 6.195580 2.860355       8.491393 
1 1 1 -5  8  44 o 36.18561 7.484777 69.12734       25.63532 72.64706       31.63855 62.40000       43.74056 36.70701 8.899048 34.24128 11.27014 2.465736       14.35998 
1 1 1 -5  8  45 o 22.67866 8.428313 21.87666       24.95533 27.10157       30.78342 11.86000       42.62245 25.03699 9.349904 24.80454 10.40610 0.2324505      13.98955 
1 1 1 -5  8  46 o 20.75838 8.170821 14.74740       24.36557 -29.08000      40.17828 40.24139       30.64343 19.07947 8.876664 27.94453 9.438656 -8.865061      12.95698 
1 1 1 -5  8  47 o 51.22516 5.958851 135.2045       29.32097 133.3000       53.63573 136.0162       35.01642 47.81956 11.58282 50.79329 7.248388 -2.973736      13.66385 
1 1 1 -5  8  48 o 78.45962 4.405105 309.5312       33.69466 366.1000       62.73975 286.6017       39.94400 83.07890 7.806655 74.94170 5.483248 8.137192       9.539909 
1 1 1 -5  8  49 o 46.84638 5.282997 112.7227       23.80293 120.1262       33.92810 105.5467       33.40290 47.26558 7.590335 44.00627 8.051274 3.259312       11.06509 
1 1 1 -5  8  50 o 49.55343 5.896506 127.6477       28.04030 124.6660       35.23171 132.8000       46.31308 47.98072 7.766995 47.99925 10.17377 -0.1852798E-01 12.79968 
1 1 1 -5  8  51 o 21.98376 8.417007 20.74054       25.31133 -2.200689      31.32294 63.91000       42.96773 19.29010 8.505398 33.08353 11.17667 -13.79343      14.04492 
1 1 1 -5  8  52 o 54.46426 4.744824 151.4592       25.04295 178.9801       34.78321 121.8400       36.08480 58.43573 6.174399 46.96827 8.144033 11.46746       10.22000 
1 1 1 -5  8  53 o 61.86103 4.316162 194.1092       25.97097 197.9543       36.18895 190.0260       37.29292 61.42540 6.099454 59.93372 6.458806 1.491680       8.883665 
1 1 1 -5  8  54 o 55.78842 5.219391 161.1681       28.17079 166.7668       35.14108 151.1000       47.12440 55.90893 6.545107 50.68821 9.853009 5.220726       11.82879 
1 1 1 -5  8  55 o 24.62550 7.841880 33.46008       21.28187 27.77272       30.45759 38.88593       29.74914 24.04767 9.226583 26.50318 9.286255 -2.455511      13.09062 
1 1 1 -5  8  56 o 34.25060 9.408685 69.74212       32.50694 69.74212       32.50694 0.000000       0.000000 34.25060 9.408685 ?        ?        ?              ?        
1 1 1 -5  8  57 o 34.51480 6.658238 65.10333       21.67915 66.86994       24.97291 59.70000       43.67469 34.48109 7.603873 31.28591 11.22311 3.195183       13.55644 
1 1 1 -5  8  58 o 22.18556 7.770732 25.66690       20.83018 29.74449       23.89729 12.77000       42.50008 23.63899 8.319788 23.41832 10.12253 0.2206669      13.10284 
1 1 1 -5  8  59 o 57.58241 4.482243 170.0190       25.06452 178.0276       28.61243 143.6000       51.96776 58.58506 5.038447 47.42926 11.34641 11.15581       12.41479 
1 1 1 -5  8  60 o 44.01371 5.362807 101.9304       22.62755 98.77876       25.86768 112.2000       46.69434 42.72491 6.380662 41.67198 11.20591 1.052925       12.89516 
1 1 1 -5  8  61 o 38.63575 6.099857 80.78976       22.30366 70.95625       25.31526 114.9000       47.14877 35.28948 7.556598 41.79015 11.27015 -6.500671      13.56902 
1 1 1 -5  8  62 o 18.53885 7.658020 10.81622       22.57269 16.48240       26.13337 -5.831000      44.79412 20.50253 8.327701 21.15357 9.671073 -0.6510429     12.76245 
1 1 1 -5  9  1  o 918.0739 17.04790 41611.56       1531.986 41838.99       2174.372 41387.37       2158.822 916.2087 24.26698 911.2763 24.22400 4.932373       34.28831 
1 1 1 -5  9  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  9  3  o 429.6407 8.099655 9051.016       340.6263 8726.648       470.5245 9408.197       493.7511 421.3314 11.41965 437.4661 11.54083 -16.13477      16.23574 
1 1 1 -5  9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  9  5  o 336.4717 7.423455 5548.629       244.4899 5425.437       295.3211 5817.000       435.8822 332.4759 9.083121 343.7737 12.97689 -11.29776      15.83991 
1 1 1 -5  9  6  o 495.1140 10.69233 12031.04       518.1837 11967.81       632.5917 12160.00       903.4077 493.2918 13.11290 496.0072 18.64074 -2.715363      22.79090 
1 1 1 -5  9  7  o 490.9167 9.192647 11818.41       441.7276 11970.28       631.4567 11672.88       618.1503 493.3844 13.08686 487.2324 12.97294 6.152008       18.42724 
1 1 1 -5  9  8  o 820.6094 15.22135 33135.54       1222.632 33388.91       1742.039 32889.57       1716.374 821.1887 21.69147 815.0899 21.53182 6.098816       30.56369 
1 1 1 -5  9  9  o 378.4973 8.285546 7022.718       306.9659 7921.000       577.5610 6669.078       362.3870 401.0080 14.73934 368.5674 10.05438 32.44061       17.84205 
1 1 1 -5  9  10 o 94.59840 3.165776 438.5656       29.27238 418.8000       46.73460 451.3264       37.55087 92.32936 5.192132 95.92787 4.007992 -3.598511      6.559134 
1 1 1 -5  9  11 o 446.4665 8.392941 9772.696       366.7831 10086.89       531.1823 9486.378       507.0761 453.0175 11.98959 439.3454 11.80197 13.67209       16.82369 
1 1 1 -5  9  12 o 128.6694 3.188252 810.4766       40.15451 784.2872       56.02517 838.1407       57.58090 126.4755 4.532870 130.7524 4.505800 -4.276894      6.391333 
1 1 1 -5  9  13 o 438.4102 8.251686 9423.979       354.1029 9393.681       500.4525 9454.356       501.1025 437.1445 11.70638 438.5587 11.68368 -1.414215      16.53928 
1 1 1 -5  9  14 o 456.5914 9.915268 10231.78       443.1374 10052.33       535.8580 10620.00       788.1513 452.0963 12.12005 463.5049 17.40288 -11.40863      21.20745 
1 1 1 -5  9  15 o 243.3781 5.644104 2901.794       134.4568 2645.000       221.0216 3052.662       169.4105 231.9299 9.757602 249.4655 6.944584 -17.53566      11.97656 
1 1 1 -5  9  16 f 186.2697 3.974355 1699.021       72.46281 1636.938       100.0883 1767.408       105.0472 182.6999 5.603411 189.8441 5.659349 -7.144165      7.964072 
1 1 1 -5  9  17 f 395.9971 7.502486 7691.822       290.8060 7354.214       398.2488 8077.468       425.6400 386.6496 10.53260 405.1888 10.74143 -18.53918      15.04373 
1 1 1 -5  9  18 f 364.3103 6.941944 6509.567       247.5476 6303.626       342.1033 6735.917       358.6532 357.9928 9.771993 370.0472 9.910660 -12.05438      13.91808 
1 1 1 -5  9  19 o 222.2160 4.523233 2419.208       98.38537 2288.500       134.1012 2571.580       144.7884 215.9290 6.351671 228.8935 6.468890 -12.96457      9.065885 
1 1 1 -5  9  20 o 370.4420 7.058817 6735.205       255.9519 6580.579       356.4422 6899.810       367.7647 365.5156 9.972016 374.2646 10.04797 -8.748993      14.15637 
1 1 1 -5  9  21 o 134.4494 3.302863 885.3159       43.46659 832.3021       59.36457 946.5839       63.81894 130.2333 4.664456 138.8948 4.700929 -8.661499      6.622378 
1 1 1 -5  9  22 o 382.8683 8.443882 7210.199       316.4447 6947.000       533.3620 7353.175       393.1088 373.6896 14.60974 386.0076 10.41376 -12.31796      17.94132 
1 1 1 -5  9  23 o 209.3141 4.332841 2147.300       88.77232 1980.064       119.3000 2354.781       132.8813 200.7685 6.077697 218.9422 6.206786 -18.17366      8.686920 
1 1 1 -5  9  24 o 96.54775 3.072577 457.0295       28.99999 431.8790       39.88389 485.2419       42.24200 93.76267 4.357634 99.39883 4.352221 -5.636162      6.158799 
1 1 1 -5  9  25 o 194.6500 4.118700 1857.183       78.47311 1783.255       108.0853 1939.590       114.1156 190.5046 5.803120 198.6775 5.874450 -8.172958      8.257443 
1 1 1 -5  9  26 o 312.6324 6.065778 4800.583       185.6209 4617.086       255.4736 5005.778       270.1565 305.9483 8.539189 318.5370 8.672687 -12.58865      12.17100 
1 1 1 -5  9  27 o 246.6305 5.733511 2987.032       138.4120 3073.055       173.1986 2835.000       230.2533 249.8345 7.089653 239.2877 9.851654 10.54686       12.13747 
1 1 1 -5  9  28 o 280.3445 6.407375 3863.832       175.8241 3959.000       311.0199 3819.134       213.1524 282.2309 11.28115 278.3013 7.832508 3.929596       13.73363 
1 1 1 -5  9  29 o 141.3482 4.146048 980.6793       57.30086 964.1000       101.5663 988.4202       69.40030 139.6912 7.455041 141.8107 5.007583 -2.119568      8.980731 
1 1 1 -5  9  30 o 160.0515 4.285087 1257.642       67.07096 1357.000       117.7940 1209.976       81.58828 165.7788 7.276917 156.8527 5.321805 8.926056       9.015271 
1 1 1 -5  9  31 o 141.4340 3.566492 981.4716       49.33494 1055.765       71.77769 914.9450       67.92213 146.5164 5.012301 136.3716 5.097372 10.14478       7.148871 
1 1 1 -5  9  32 o 280.1192 6.431475 3866.966       176.3436 4073.178       223.2695 3525.000       287.5166 286.8588 7.959301 265.4281 11.09093 21.43076       13.65134 
1 1 1 -5  9  33 o 151.1355 4.247869 1122.711       62.77877 1105.283       76.38011 1159.000       110.2165 149.7941 5.217265 152.9067 7.385845 -3.112610      9.042707 
1 1 1 -5  9  34 o 202.7741 4.324220 2021.027       85.82750 2035.595       121.8270 2006.672       120.9348 202.9708 6.139079 201.5227 6.138008 1.448059       8.681211 
1 1 1 -5  9  35 o 104.4058 3.333659 535.6413       34.02477 550.6288       48.18898 520.7414       48.04792 105.6554 4.671161 102.7211 4.791894 2.934273       6.691935 
1 1 1 -5  9  36 o 60.19387 4.440138 179.4141       25.97690 175.9000       40.93399 181.7835       33.61240 59.03369 7.235067 60.35589 5.759241 -1.322201      9.247435 
1 1 1 -5  9  37 o 58.98426 4.649858 172.7051       26.62919 173.6548       32.32621 170.7000       46.97072 58.94663 5.672558 57.68608 8.579364 1.260544       10.28511 
1 1 1 -5  9  38 o 98.10120 3.355709 473.8555       32.17547 473.3288       45.13999 474.3996       45.87487 97.75710 4.731497 97.84988 4.804389 -0.9278107E-01 6.743086 
1 1 1 -5  9  39 o 82.96749 3.476690 339.5480       28.17193 344.6217       39.41072 334.2464       40.28595 83.27927 4.855782 81.96252 5.045946 1.316750       7.002870 
1 1 1 -5  9  40 o 91.85873 3.492480 416.4174       31.34504 375.8887       43.07687 462.0246       45.69615 86.85873 5.088984 96.39980 4.858471 -9.541069      7.035801 
1 1 1 -5  9  41 f 57.89945 4.226529 166.7690       23.78827 155.3094       33.08688 179.0308       34.22538 55.34041 6.215423 59.54324 5.952001 -4.202831      8.605684 
1 1 1 -5  9  42 o 76.33334 3.699884 288.5222       27.56216 290.2573       38.41460 286.6814       39.56856 76.14056 5.185293 75.60258 5.382164 0.5379868      7.473617 
1 1 1 -5  9  43 o 25.43147 8.389771 32.31075       24.23467 39.64174       30.29424 19.28000       40.38900 28.07052 9.383948 25.65300 10.37717 2.417522       13.99086 
1 1 1 -5  9  44 o 15.86634 6.967033 -3.908451      20.81766 -17.76397      29.20724 10.39893       29.67967 16.96247 7.775316 21.44064 8.811172 -4.478168      11.75127 
1 1 1 -5  9  45 o 24.99867 8.392156 31.31718       24.22620 -16.58000      39.31050 60.64843       30.76230 20.21150 9.170009 33.36761 9.147372 -13.15612      12.95235 
1 1 1 -5  9  46 o 16.38793 7.145988 -2.081056      21.56631 -7.468421      30.49720 3.307840       30.50153 18.61152 8.289205 20.24403 8.660226 -1.632511      11.98793 
1 1 1 -5  9  47 o 25.71580 8.013610 35.14140       22.33851 51.62535       31.96073 19.39789       31.23465 30.62041 9.591928 23.18395 9.211443 7.436455       13.29871 
1 1 1 -5  9  48 o 45.87687 5.402338 108.1853       23.79494 104.9826       34.00131 111.2593       33.31154 43.88224 8.217836 45.44063 7.768253 -1.558392      11.30834 
1 1 1 -5  9  49 o 83.19205 5.330673 353.2898       43.17962 394.6000       65.95358 322.3000       57.12411 85.85693 7.937800 77.82296 7.595605 8.033974       10.98644 
1 1 1 -5  9  50 o 52.70610 5.820969 144.1022       29.53076 217.1000       55.14547 114.7522       34.96706 62.35086 9.321363 45.78420 8.098805 16.56666       12.34822 
1 1 1 -5  9  51 o 46.65060 5.406601 112.6329       24.23152 126.4292       33.50780 97.50848       35.08356 48.44948 7.291427 41.53143 8.898004 6.918056       11.50389 
1 1 1 -5  9  52 o 54.06267 5.352355 151.0552       27.95225 146.6884       33.80196 160.5000       49.71165 52.48313 6.734884 52.53138 10.03370 -0.4824829E-01 12.08444 
1 1 1 -5  9  53 o 22.85704 8.388928 25.62750       24.58878 48.66854       30.16605 -19.99000      42.44564 29.15416 9.341922 19.92853 9.220426 9.225636       13.12584 
1 1 1 -5  9  54 o 23.13368 7.878780 28.37213       21.35547 36.62941       30.81435 20.74088       29.62323 26.10474 9.419106 22.51483 8.962494 3.589911       13.00176 
1 1 1 -5  9  55 o 20.72148 8.727304 10.74510       30.16413 10.74510       30.16413 0.000000       0.000000 20.72148 8.727304 ?        ?        ?              ?        
1 1 1 -5  9  56 o 66.62798 3.959934 224.7333       25.70913 222.5574       29.50253 231.6000       52.41037 65.92386 4.600923 63.95011 8.589808 1.973747       9.744397 
1 1 1 -5  9  57 o 36.62948 6.887312 73.64782       23.78752 66.04001       28.02001 93.28000       45.01143 33.75806 8.489388 38.19886 11.26835 -4.440804      14.10835 
1 1 1 -5  9  58 o 27.02497 7.639281 41.29623       21.10117 35.92468       24.08585 59.03000       43.76355 25.34770 8.364051 31.09179 11.22421 -5.744081      13.99787 
1 1 1 -5  9  59 o 27.18298 7.647705 42.00163       21.19941 30.13769       24.19079 81.27000       44.01057 23.69064 8.367884 35.46336 11.27515 -11.77272      14.04103 
1 1 1 -5  9  60 o 28.89254 7.403137 47.45099       21.02951 37.76070       23.89669 80.72000       44.27813 25.70949 8.321712 35.09743 11.32484 -9.387941      14.05358 
1 1 1 -5  9  61 o 25.16562 7.613210 36.20832       20.34868 46.21074       22.89219 -1.449000      44.41807 28.15910 7.955853 21.63373 9.788185 6.525373       12.61365 
1 1 1 -5  9  62 o 17.64065 7.244696 9.895177       20.04736 15.27254       22.46411 -11.14000      44.43014 19.43958 7.782505 20.47017 9.457779 -1.030582      12.24814 
1 1 1 -5  10 1  f 624.6079 11.61453 19157.24       710.0930 19449.09       1014.906 18877.37       993.8710 628.0704 16.52298 618.7913 16.42343 9.279175       23.29674 
1 1 1 -5  10 2  o 419.6083 7.902851 8630.301       324.5892 8607.838       458.4363 8652.881       459.6430 418.5926 11.19880 419.6871 11.19895 -1.094513      15.83760 
1 1 1 -5  10 3  o 539.1441 11.65407 14272.45       615.0193 13100.00       998.5973 14988.95       780.6425 514.5642 19.86374 551.8410 14.46460 -37.27679      24.57220 
1 1 1 -5  10 4  o 945.1954 20.27987 44150.82       1876.260 44744.97       2320.883 43030.00       3187.671 948.8337 25.01127 923.4673 35.33032 25.36639       43.28735 
1 1 1 -5  10 5  o 636.1591 13.66987 19893.71       851.2090 19630.07       1033.413 20450.00       1501.134 631.0202 16.74589 641.6630 23.94245 -10.64276      29.21756 
1 1 1 -5  10 6  o 510.7906 9.560615 12796.59       478.0078 12734.90       674.4106 12858.86       677.6110 508.8298 13.55291 511.3022 13.55126 -2.472412      19.16554 
1 1 1 -5  10 7  o 539.8239 10.08453 14296.42       532.8609 14425.42       760.6392 14172.10       746.7120 541.3961 14.36618 536.6466 14.22793 4.749451       20.21933 
1 1 1 -5  10 8  o 399.5870 8.735641 7828.863       341.6743 9150.000       659.3427 7343.846       399.4991 430.8332 15.66098 386.7040 10.56423 44.12915       18.89099 
1 1 1 -5  10 9  f 306.2160 6.810203 4594.412       204.1240 4802.000       363.3109 4498.655       246.7521 312.4661 11.90047 302.8079 8.332983 9.658173       14.52789 
1 1 1 -5  10 10 o 325.2162 6.253679 5181.457       199.0737 5303.569       287.1151 5068.401       276.2638 328.7360 8.931106 321.3735 8.790545 7.362427       12.53149 
1 1 1 -5  10 11 o 366.4875 6.975254 6581.872       250.2219 6707.454       359.4574 6463.810       348.5301 369.5909 9.945230 362.8261 9.822798 6.764771       13.97837 
1 1 1 -5  10 12 o 300.4414 6.747924 4423.234       198.4432 4427.883       243.3263 4414.000       342.9144 300.3904 8.283455 299.5233 11.71892 0.8670654      14.35092 
1 1 1 -5  10 13 o 18.16205 7.318110 7.016600       19.99920 1.705000       44.08007 8.393368       22.44192 24.87259 10.51670 19.35438 7.768294 5.518204       13.07469 
1 1 1 -5  10 14 o 180.0078 4.435586 1586.818       78.15353 1727.000       138.8568 1521.820       94.55171 187.5273 7.580408 176.1684 5.489913 11.35884       9.359580 
1 1 1 -5  10 15 o 194.4314 4.084218 1851.241       77.72872 1816.209       108.4252 1888.280       111.4888 192.4413 5.762559 196.2224 5.811059 -3.781082      8.183856 
1 1 1 -5  10 16 o 217.1209 4.438299 2308.979       94.32449 2384.971       135.6585 2237.855       131.2411 220.4884 6.292156 213.5747 6.284726 6.913681       8.893200 
1 1 1 -5  10 17 o 600.1879 11.20277 17728.33       658.1407 17049.39       904.9844 18490.50       958.8528 586.7824 15.77073 610.9700 16.04730 -24.18762      22.49959 
1 1 1 -5  10 18 o 144.1293 3.391038 1017.254       47.84000 969.5251       65.43959 1072.044       70.11398 140.5881 4.762261 147.8364 4.851832 -7.248291      6.798486 
1 1 1 -5  10 19 o 165.0066 3.650802 1333.535       58.96522 1309.708       82.03757 1358.999       84.81036 163.3857 5.136088 166.4287 5.212552 -3.043015      7.317793 
1 1 1 -5  10 20 o 196.2125 4.114539 1886.226       79.02310 1825.443       109.3296 1952.721       114.3505 192.8370 5.798753 199.4457 5.863801 -6.608658      8.246799 
1 1 1 -5  10 21 o 192.5962 4.058917 1817.474       76.51807 1832.979       108.4224 1802.089       108.0046 193.2211 5.739050 191.5817 5.766024 1.639343       8.135338 
1 1 1 -5  10 22 o 90.18909 3.654897 399.1427       32.19844 370.4000       57.20086 412.4743       38.95645 86.58167 6.804113 91.63570 4.355655 -5.054024      8.078841 
1 1 1 -5  10 23 o 173.6333 4.441751 1478.860       75.42872 1387.000       127.0425 1528.872       93.73918 167.7547 7.757928 176.4485 5.433940 -8.693802      9.471703 
1 1 1 -5  10 24 o 216.3570 4.447464 2294.982       94.18671 2127.088       126.8456 2501.310       140.6166 208.0243 6.236568 225.5761 6.374895 -17.55185      8.918187 
1 1 1 -5  10 25 o 169.1860 3.760658 1402.780       62.27797 1308.890       84.35630 1515.264       92.33177 163.2340 5.286568 175.6335 5.377117 -12.39948      7.540636 
1 1 1 -5  10 26 o 173.1632 4.402199 1471.359       74.55540 1409.580       89.34732 1613.000       135.2868 169.3746 5.396118 180.8463 7.659920 -11.47165      9.369763 
1 1 1 -5  10 27 o 294.2871 5.760882 4253.652       165.9459 4310.407       237.0334 4199.093       232.4009 295.5953 8.200221 291.7660 8.145583 3.829315       11.55829 
1 1 1 -5  10 28 o 63.51511 3.727436 198.4334       23.07174 156.2883       31.27275 248.7701       34.17707 56.10848 5.776634 71.02393 4.947061 -14.91545      7.605453 
1 1 1 -5  10 29 o 179.2666 5.633302 1580.779       98.72545 0.000000       0.000000 1580.779       98.72545 ?        ?        179.2666 5.633302 ?              ?        
1 1 1 -5  10 30 o 187.7839 4.793578 1732.443       88.03781 1754.000       156.6315 1722.487       106.4429 188.1752 8.525900 187.0736 5.820046 1.101624       10.32298 
1 1 1 -5  10 31 o 157.8526 4.373601 1224.122       67.51159 1276.000       122.5584 1201.522       80.89069 160.5060 7.824491 156.2494 5.296660 4.256607       9.448665 
1 1 1 -5  10 32 o 107.1040 3.338479 563.0948       34.95666 551.5947       48.70374 575.3137       50.20269 105.8466 4.712696 108.0969 4.756332 -2.250237      6.695685 
1 1 1 -5  10 33 o 191.2720 4.795055 1800.372       89.70338 1801.550       109.7446 1798.000       155.7095 191.0732 5.874802 190.0795 8.389672 0.9937592      10.24207 
1 1 1 -5  10 34 o 85.85019 3.892209 362.8042       32.62215 355.0440       39.26437 380.1000       58.61797 84.80502 4.749077 87.34664 6.912437 -2.541618      8.386628 
1 1 1 -5  10 35 f 145.4825 4.138043 1041.946       58.86681 1074.732       72.69600 979.5000       100.3266 147.5479 5.040915 140.1711 7.337809 7.376785       8.902487 
1 1 1 -5  10 36 o 101.8464 3.318026 510.1433       33.03328 493.1080       45.64515 528.8768       47.86617 99.88721 4.681538 103.4416 4.740050 -3.554398      6.662197 
1 1 1 -5  10 37 o 62.42389 4.333356 193.0719       26.31341 205.9000       41.85639 184.6891       33.83575 63.92521 6.793241 60.76055 5.757859 3.164654       8.905115 
1 1 1 -5  10 38 o 44.68628 5.641679 100.6763       24.12784 96.77911       29.35012 108.8000       42.37512 43.42244 7.154355 45.33553 9.832765 -1.913094      12.16010 
1 1 1 -5  10 39 o 73.42571 3.643203 266.3958       26.10233 250.9004       36.17434 283.2272       37.70154 70.88676 5.250778 75.36715 5.141374 -4.480385      7.348769 
1 1 1 -5  10 40 o 115.4402 3.437890 657.3753       38.80350 658.5423       54.54951 656.1799       55.20931 115.0962 4.852879 114.8637 4.921881 0.2324219      6.911972 
1 1 1 -5  10 41 o 50.56281 4.575845 127.8349       22.40199 129.6827       31.11222 125.8454       32.28259 50.41541 6.452368 49.52953 6.841334 0.8858795      9.404090 
1 1 1 -5  10 42 o 61.82332 4.638947 190.9321       27.86757 198.5819       34.47081 176.5000       47.34721 62.74732 5.673661 58.02494 8.595922 4.722385       10.29953 
1 1 1 -5  10 43 o 24.34884 7.888911 29.84536       21.47257 47.82831       29.87320 10.62274       30.88571 30.10922 9.247582 21.84249 8.983650 8.266724       12.89278 
1 1 1 -5  10 44 o 94.01646 3.983280 439.1349       36.57344 433.4000       61.56265 442.2630       45.46659 92.05767 6.881852 93.96841 4.960730 -1.910744      8.483438 
1 1 1 -5  10 45 o 63.33544 4.199642 200.4979       25.88841 187.3106       36.60781 213.6909       36.61567 60.43574 6.279785 64.78273 5.836857 -4.346992      8.573482 
1 1 1 -5  10 46 o 76.33451 3.773521 290.3309       28.10772 306.3878       40.24533 275.0405       39.27314 77.75214 5.320124 73.56575 5.493649 4.186394       7.647476 
1 1 1 -5  10 47 o 25.95047 7.898267 36.08326       21.85558 22.95599       30.64576 49.67050       31.17803 23.73846 9.215711 30.04914 9.482185 -6.310688      13.22275 
1 1 1 -5  10 48 o 45.13615 6.242053 106.5194       26.84033 99.70758       33.37050 119.0000       45.17008 42.65421 8.291451 45.43267 10.38448 -2.778454      13.28855 
1 1 1 -5  10 49 o 57.65577 5.369335 170.5930       29.95355 190.4000       54.75329 162.1335       35.78291 57.88349 10.02689 55.48249 6.726097 2.401005       12.07389 
1 1 1 -5  10 50 o 46.45964 5.304316 111.2772       23.69019 92.13863       32.15314 134.0047       35.03847 40.75749 8.340794 49.93498 7.391548 -9.177486      11.14468 
1 1 1 -5  10 51 o 34.43146 8.306549 66.56018       27.67018 37.05000       47.17327 82.03902       34.16483 28.30308 11.29561 37.76560 9.303876 -9.462519      14.63397 
1 1 1 -5  10 52 o 70.72415 4.708446 254.8219       32.40942 296.7000       58.01015 235.8192       39.07669 73.55383 8.196451 67.20792 6.003203 6.345909       10.15974 
1 1 1 -5  10 53 o 36.44799 7.474939 73.55949       25.77213 75.01151       31.44811 70.59000       44.97278 35.97908 8.963120 33.82967 11.43446 2.149414       14.52874 
1 1 1 -5  10 54 o 19.59846 8.443475 5.144509       29.37980 5.144509       29.37980 0.000000       0.000000 19.59846 8.443475 ?        ?        ?              ?        
1 1 1 -5  10 55 o 42.35452 6.457022 96.39892       25.92400 53.43045       30.56684 206.5000       48.92958 30.18361 9.368962 60.56541 8.486091 -30.38181      12.64085 
1 1 1 -5  10 56 f 69.46971 4.316063 245.7619       29.20378 232.1884       34.51049 280.0000       54.80994 66.84998 5.317839 70.94736 8.033753 -4.097382      9.634345 
1 1 1 -5  10 57 o 37.00546 6.121620 73.53890       21.39911 69.42905       24.27435 87.87000       45.32882 35.32756 7.262653 36.96688 11.39810 -1.639317      13.51528 
1 1 1 -5  10 58 o 51.66000 4.720915 137.6319       23.60833 111.3552       26.76933 229.6000       50.08080 45.62701 6.150383 63.86776 8.199894 -18.24075      10.25014 
1 1 1 -5  10 59 o 13.18519 6.118777 -13.00803      18.90383 -15.34216      21.26155 -4.200000      41.30210 13.81493 6.437410 20.97807 9.470077 -7.163134      11.45088 
1 1 1 -5  10 60 o 33.90755 6.511183 63.20567       20.82500 67.91102       23.48175 45.87000       45.07184 34.81816 7.130127 28.34291 11.12603 6.475246       13.21466 
1 1 1 -5  10 61 o 14.34816 6.476443 -5.919981      19.31078 6.959629       21.61161 -56.93000      43.00942 17.49587 7.378980 16.62412 8.109560 0.8717499      10.96423 
1 1 1 -5  11 1  o 626.5433 11.65173 19273.96       714.5747 19846.74       1032.526 18747.46       989.9412 634.5165 16.63898 616.7415 16.41293 17.77496       23.37178 
1 1 1 -5  11 2  o 224.5865 6.423410 2472.988       141.0617 2474.000       200.6643 2472.000       198.3388 224.4256 9.153852 224.3438 9.050649 0.8175659E-01  12.87273 
1 1 1 -5  11 3  o 224.6203 6.415596 2473.730       140.9117 2357.000       194.3861 2603.000       204.5616 219.0509 9.085689 230.2161 9.095734 -11.16521      12.85621 
1 1 1 -5  11 4  o 495.6031 10.71425 12054.11       519.7588 11743.36       625.1252 12750.00       935.4855 488.6726 13.08078 507.9132 18.84931 -19.24060      22.94348 
1 1 1 -5  11 5  o 587.2677 10.93690 16927.92       628.6903 16932.98       890.2371 16922.88       887.9719 586.2955 15.52621 586.1290 15.49104 0.1665039      21.93252 
1 1 1 -5  11 6  o 187.1665 3.944537 1715.135       72.26539 1682.278       101.6573 1748.702       102.7488 185.2440 5.612930 188.8717 5.563876 -3.627747      7.903272 
1 1 1 -5  11 7  o 392.2343 8.575545 7543.373       329.2407 8278.000       607.8181 7238.315       391.6795 409.8123 15.17866 383.9118 10.43268 25.90054       18.41826 
1 1 1 -5  11 8  o 127.2296 3.579555 793.1180       44.53399 734.3000       73.32746 827.4919       56.05641 122.2765 6.146277 129.9229 4.414329 -7.646347      7.567234 
1 1 1 -5  11 9  o 338.7292 7.505285 5623.706       248.8434 5128.000       405.4568 5923.257       315.1865 322.7431 12.86032 347.3753 9.277938 -24.63223      15.85774 
1 1 1 -5  11 10 o 354.3051 6.754037 6151.345       234.2324 6242.773       334.9460 6063.838       327.6828 356.5740 9.605381 351.4313 9.534733 5.142731       13.53420 
1 1 1 -5  11 11 o 471.5087 12.57835 10937.35       580.0049 10350.00       788.4622 11630.00       856.2228 457.5132 17.63947 484.8973 18.07138 -27.38409      25.25323 
1 1 1 -5  11 12 o 271.5552 6.181690 3613.201       164.3129 3195.000       264.7626 3875.167       209.5497 254.8502 10.63705 281.0402 7.624542 -26.18996      13.08742 
1 1 1 -5  11 13 o 235.5995 4.734096 2718.583       109.1736 2640.368       151.6514 2802.726       157.2927 232.0056 6.684898 239.0344 6.729370 -7.028839      9.485372 
1 1 1 -5  11 14 o 122.9179 3.152605 740.1984       37.89938 699.8782       51.88961 786.3026       55.48666 119.4586 4.445441 126.6271 4.483751 -7.168510      6.313951 
1 1 1 -5  11 15 o 227.1390 4.598440 2527.164       102.2371 2425.847       140.7599 2640.294       148.7401 222.3517 6.474331 231.9722 6.557252 -9.620499      9.214908 
1 1 1 -5  11 16 o 79.91296 3.002480 313.1116       23.44394 320.6204       31.83038 304.2089       34.65946 80.80865 4.036967 78.67458 4.519732 2.134064       6.060122 
1 1 1 -5  11 17 o 202.9798 4.216757 2018.223       83.77947 2038.672       119.0388 1998.152       117.9331 203.8272 5.972951 201.7892 5.977373 2.037933       8.450156 
1 1 1 -5  11 18 o 274.0273 5.372353 3681.032       144.1002 3598.128       200.4169 3769.759       207.3359 270.6021 7.573985 276.9739 7.655017 -6.371796      10.76868 
1 1 1 -5  11 19 o 599.3601 11.21070 17720.49       657.6987 17316.71       914.5146 18153.06       946.5661 589.9808 15.85040 603.9606 16.02581 -13.97980      22.54023 
1 1 1 -5  11 20 o 53.71667 3.265453 141.8445       17.08844 150.9213       22.64281 129.8337       26.04649 55.33782 4.211887 51.18721 5.273941 4.150612       6.749403 
1 1 1 -5  11 21 o 182.5959 3.906874 1633.618       69.82753 1620.709       97.90186 1646.985       99.62269 181.6882 5.511380 183.1510 5.563480 -1.462784      7.831195 
1 1 1 -5  11 22 o 248.4555 5.753286 3029.234       139.9171 2805.000       232.1694 3157.120       175.3336 238.2426 9.977962 253.3752 7.076531 -15.13257      12.23262 
1 1 1 -5  11 23 o 36.05031 4.519271 64.71301       15.59769 47.39463       20.22425 90.13566       24.50356 30.45324 6.939854 42.42102 6.074373 -11.96777      9.222775 
1 1 1 -5  11 24 o 172.1887 5.330351 1456.326       89.73118 1456.326       89.73118 0.000000       0.000000 172.1887 5.330351 ?        ?        ?              ?        
1 1 1 -5  11 25 o 164.2441 4.241133 1323.498       68.12625 1268.694       81.65710 1449.000       123.5703 160.7053 5.197915 171.4444 7.380796 -10.73907      9.027430 
1 1 1 -5  11 26 o 137.4548 3.386174 925.8119       45.55912 833.9616       61.03315 1041.397       68.46624 130.2915 4.793853 145.6143 4.810195 -15.32283      6.791098 
1 1 1 -5  11 27 f 214.9270 4.460303 2265.885       93.83430 2254.735       132.4456 2277.122       132.9594 214.0613 6.328053 215.1235 6.321150 -1.062241      8.944339 
1 1 1 -5  11 28 o 250.2569 5.793095 3077.878       141.9067 3406.000       259.6364 2938.106       169.4569 261.9509 10.14522 244.1541 7.098237 17.79681       12.38186 
1 1 1 -5  11 29 o 107.9735 3.298157 571.9379       34.81650 571.8168       48.75552 572.0638       49.73502 107.8372 4.629794 107.8503 4.722683 -0.1308441E-01 6.613526 
1 1 1 -5  11 30 o 193.2881 4.176150 1833.324       79.01099 1821.735       111.9837 1844.812       111.4947 192.3224 5.955835 193.5508 5.891952 -1.228394      8.377772 
1 1 1 -5  11 31 o 154.1313 4.304632 1167.266       64.87951 1207.000       118.3728 1150.205       77.56844 156.0481 7.774225 152.8629 5.191674 3.185150       9.348372 
1 1 1 -5  11 32 o 83.76586 4.109312 345.3729       33.59037 377.3000       65.07925 333.7785       39.21815 86.96095 7.725943 82.24539 4.893700 4.715561       9.145408 
1 1 1 -5  11 33 o 180.2616 5.605025 1603.499       98.77771 1622.000       137.8942 1584.000       141.5636 180.6010 7.818976 178.3545 8.130269 2.246567       11.27997 
1 1 1 -5  11 34 o 62.54764 3.741122 192.8810       22.79974 190.3465       31.60872 195.6299       32.91854 61.91114 5.265854 62.74517 5.412734 -0.8340378     7.551616 
1 1 1 -5  11 35 o 13.65405 6.355342 -18.60955      20.63150 -25.74251      24.06335 1.185000       40.08613 14.24236 6.704103 23.31554 9.949890 -9.073179      11.99772 
1 1 1 -5  11 36 o 64.57426 4.360343 206.4596       27.39885 172.2497       31.93839 301.8000       53.31821 58.71591 5.625875 77.48354 7.109239 -18.76764      9.065967 
1 1 1 -5  11 37 o 55.72150 4.030539 153.8077       21.83468 147.6649       30.89364 159.9388       30.86419 54.21251 5.917871 56.50567 5.656239 -2.293159      8.186222 
1 1 1 -5  11 38 o 80.47321 3.433666 319.3936       26.98461 320.0956       38.48683 318.7148       37.84525 80.23838 4.924027 80.08294 4.850723 0.1554413      6.911986 
1 1 1 -5  11 39 o 75.70336 4.015664 283.8154       29.64984 305.4475       37.69180 248.7000       48.02269 78.31146 4.942381 69.96216 7.111281 8.349304       8.660107 
1 1 1 -5  11 40 o 45.92715 4.829936 105.8338       21.38826 77.42863       29.70034 136.4333       30.82620 38.31710 8.168583 51.83949 6.197759 -13.52238      10.25368 
1 1 1 -5  11 41 o 92.32005 3.831730 422.0244       34.55032 410.9297       42.48221 443.7000       59.37911 90.79793 4.796988 93.65501 6.518012 -2.857086      8.092933 
1 1 1 -5  11 42 o 67.23161 3.845899 224.3230       25.20357 194.7957       34.69818 257.3014       36.66994 62.08595 5.775867 71.60059 5.269145 -9.514641      7.818217 
1 1 1 -5  11 43 o 37.52898 6.713318 73.35672       23.75558 51.54000       38.42533 86.85382       30.22339 31.51850 10.56901 40.50606 7.906715 -8.987560      13.19925 
1 1 1 -5  11 44 o 62.25287 4.196667 193.4921       25.42288 188.8187       35.44754 198.4422       36.48153 60.86093 6.029504 62.39782 6.048854 -1.536892      8.540700 
1 1 1 -5  11 45 o 53.07019 4.677442 141.9430       24.04930 163.5208       34.08669 120.5562       33.93550 56.36688 6.284889 47.79773 7.499998 8.569153       9.785183 
1 1 1 -5  11 46 o 47.13523 5.124635 113.2560       23.26353 107.8733       32.55720 118.8713       33.25303 44.91857 7.680622 47.32391 7.422613 -2.405338      10.68116 
1 1 1 -5  11 47 o 35.15366 7.627018 67.06985       25.48815 75.30751       31.42789 51.24000       43.56644 36.77841 8.839893 31.01518 11.19859 5.763235       14.26717 
1 1 1 -5  11 48 o 71.87750 5.791179 266.0208       40.39961 324.8000       61.22851 220.7000       53.76390 77.64333 8.179171 63.34953 8.916861 14.29380       12.09997 
1 1 1 -5  11 49 o 56.21551 4.583975 160.3385       25.00468 137.6811       33.74015 187.9441       37.24263 50.91345 6.951683 59.89935 6.453751 -8.985901      9.485610 
1 1 1 -5  11 50 o 30.93954 7.478568 52.64874       22.39541 41.50414       30.21871 66.22845       33.35714 27.61303 9.372699 33.87559 9.614831 -6.262566      13.42730 
1 1 1 -5  11 51 o 50.87880 4.919440 132.7489       24.19434 139.5803       33.31972 125.1297       35.18865 51.15398 6.824618 47.82187 7.784977 3.332119       10.35284 
1 1 1 -5  11 52 o 14.40759 6.466601 -6.096483      18.94627 -3.879887      21.31223 -14.45000      41.37332 15.70188 6.965018 20.26258 9.275311 -4.560699      11.59926 
1 1 1 -5  11 53 o 43.88066 7.257405 105.4052       30.08302 105.4052       30.08302 0.000000       0.000000 43.88066 7.257405 ?        ?        ?              ?        
1 1 1 -5  11 54 o 27.06131 8.217545 41.53500       23.67658 25.93391       27.90527 81.63000       44.73566 23.25715 8.854039 35.85675 11.36376 -12.59960      14.40587 
1 1 1 -5  11 55 o 34.43605 6.912745 65.18481       22.49027 49.30623       25.98462 112.6000       44.90236 29.23632 8.544712 42.63233 10.76104 -13.39601      13.74089 
1 1 1 -5  11 56 o 25.21804 8.545793 35.24454       25.12099 21.27109       30.67858 63.68000       43.76364 22.66617 9.087776 32.04149 11.26035 -9.375324      14.47008 
1 1 1 -5  11 57 o 53.47606 5.575333 150.1269       28.75532 176.8208       35.78800 101.5000       48.30248 57.42130 6.480420 39.43840 11.68312 17.98289       13.36006 
1 1 1 -5  11 58 o 19.29161 7.431571 16.01798       19.81472 26.40393       22.40954 -21.20000      42.42150 22.50293 8.043112 19.48247 9.083228 3.020458       12.13246 
1 1 1 -5  11 59 o 16.43411 6.918627 5.179185       18.94415 3.226771       21.25848 12.71000       41.75102 16.78548 7.206264 23.10212 10.00933 -6.316637      12.33357 
1 1 1 -5  11 60 o 33.65316 6.489038 62.37664       20.60054 53.83094       23.08508 95.79000       45.64756 30.55625 7.717544 37.92443 11.38728 -7.368181      13.75611 
1 1 1 -5  11 61 o 27.31143 7.396435 42.99815       20.25647 35.12002       22.66703 74.24000       45.13896 24.69923 8.112221 33.06832 11.44793 -8.369085      14.03079 
1 1 1 -5  12 1  o 525.5997 13.94787 13595.22       716.9438 12920.00       977.8867 14380.00       1054.236 510.9986 19.58698 539.0092 20.01661 -28.01056      28.00562 
1 1 1 -5  12 2  o 342.2710 7.573074 5741.677       253.7164 5504.672       302.1781 6308.000       467.1066 334.8901 9.227170 357.9681 13.35450 -23.07803      16.23217 
1 1 1 -5  12 3  o 624.2369 13.42132 19157.55       820.0699 19141.31       1004.505 19190.00       1420.041 623.0441 16.48575 621.4954 23.38470 1.548645       28.61161 
1 1 1 -5  12 4  o 285.7913 6.437819 4001.580       180.0918 4100.114       225.0206 3826.000       300.3765 289.0991 7.959445 278.9521 11.02265 10.14706       13.59601 
1 1 1 -5  12 5  o 160.7534 5.012308 1266.772       78.77224 1197.000       109.7160 1341.000       113.1656 156.1207 7.199028 165.2773 7.011045 -9.156570      10.04892 
1 1 1 -5  12 6  o 190.0237 5.614397 1770.220       104.3135 1665.000       143.5346 1888.000       151.8604 184.1205 7.983282 196.0893 7.928317 -11.96875      11.25127 
1 1 1 -5  12 7  o 282.4071 6.351004 3907.476       175.5595 3932.000       305.2387 3895.354       214.6087 282.7693 11.04938 281.7851 7.788248 0.9842529      13.51834 
1 1 1 -5  12 8  o 96.54683 3.650271 457.0161       34.43392 489.8389       42.20821 391.7000       59.54144 99.92419 4.325637 89.14003 6.877158 10.78416       8.124434 
1 1 1 -5  12 9  o 328.5446 7.302191 5290.874       234.8301 5319.422       288.6551 5235.000       403.8212 329.1813 8.966905 326.0626 12.67681 3.118683       15.52762 
1 1 1 -5  12 10 o 592.6404 12.77312 17273.24       740.9594 15800.00       1204.326 18170.58       939.9060 563.7615 21.86587 606.8463 15.83692 -43.08478      26.99860 
1 1 1 -5  12 11 o 625.0625 11.65819 19204.27       713.2813 19120.25       1009.591 19288.00       1007.875 622.1054 16.59447 624.8661 16.49275 -2.760742      23.39631 
1 1 1 -5  12 12 o 170.6620 3.756526 1426.142       62.75228 1379.761       87.73988 1474.711       89.78574 167.7367 5.350800 173.4212 5.295512 -5.684555      7.528181 
1 1 1 -5  12 13 o 257.1852 5.093865 3240.418       128.2330 3175.131       179.3474 3308.703       183.4187 254.3525 7.210932 259.6504 7.223884 -5.297867      10.20696 
1 1 1 -5  12 14 o 237.0192 4.759149 2752.072       110.4127 2731.600       155.3516 2772.969       156.9550 235.9272 6.734044 237.7067 6.752553 -1.779480      9.536473 
1 1 1 -5  12 15 o 332.9323 7.380187 5438.648       240.5080 6236.000       455.9699 5131.299       283.0915 355.2919 13.13387 323.0714 8.960697 32.22055       15.89946 
1 1 1 -5  12 16 o 433.9976 8.197877 9250.253       348.2531 9104.175       488.3844 9401.366       496.7300 429.6544 11.62346 436.6129 11.63335 -6.958466      16.44505 
1 1 1 -5  12 17 o 323.6180 6.227910 5136.983       197.2792 5200.672       281.0532 5075.125       276.9812 325.1333 8.839425 321.1859 8.818584 3.947388       12.48611 
1 1 1 -5  12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  12 19 o 148.7733 3.424597 1084.127       49.87013 1074.840       69.71829 1093.858       71.36455 147.9975 4.819097 149.2966 4.890043 -1.299133      6.865582 
1 1 1 -5  12 20 o 143.8506 3.992949 1014.724       56.16831 1039.000       101.1810 1003.911       67.52904 145.2548 7.138292 143.0166 4.830831 2.238205       8.619288 
1 1 1 -5  12 21 f 458.6935 8.659607 10359.48       388.8006 9660.589       523.0408 11222.58       581.2483 441.5237 12.11395 475.7192 12.49341 -34.19553      17.40210 
1 1 1 -5  12 22 o 412.4230 7.825077 8369.254       315.8913 7847.147       426.3642 9004.622       470.3421 398.1891 10.94958 426.4232 11.27842 -28.23401      15.71929 
1 1 1 -5  12 23 o 304.2501 8.389085 4563.761       249.5955 4563.761       249.5955 0.000000       0.000000 304.2501 8.389085 ?        ?        ?              ?        
1 1 1 -5  12 24 o 333.3531 7.429018 5468.400       242.4053 5106.929       282.7089 6472.000       471.0670 321.6181 8.989157 360.2213 13.38329 -38.60318      16.12195 
1 1 1 -5  12 25 o 111.8128 3.150582 612.9929       34.44730 553.7727       46.13451 687.6089       51.78539 106.1691 4.449236 118.3222 4.479398 -12.15318      6.313533 
1 1 1 -5  12 26 o 136.6166 3.816380 915.6409       50.98419 817.9000       80.00713 982.4697       66.15646 128.8285 6.364394 141.4233 4.785985 -12.59479      7.963113 
1 1 1 -5  12 27 o 293.5785 6.623730 4240.663       190.3413 4109.000       320.3191 4312.529       236.6547 287.2735 11.41423 295.5315 8.188870 -8.258057      14.04785 
1 1 1 -5  12 28 o 218.4865 4.518542 2342.623       96.63382 2335.272       136.2592 2350.061       137.0661 217.7548 6.399753 218.4401 6.417453 -0.6852264     9.063143 
1 1 1 -5  12 29 o 148.0651 3.554941 1074.939       51.52184 1101.584       73.52300 1049.229       72.22024 149.6678 5.025798 146.0592 5.059179 3.608643       7.131195 
1 1 1 -5  12 30 o 146.3936 3.548028 1051.043       50.84115 1107.106       73.42390 999.4037       70.46766 150.0108 5.007463 142.5111 5.059699 7.499741       7.118654 
1 1 1 -5  12 31 o 129.6660 3.395358 825.2097       43.05703 863.9293       61.82848 788.7506       59.99649 132.4934 4.775282 126.5782 4.851380 5.915154       6.807291 
1 1 1 -5  12 32 o 91.81998 3.245901 414.0915       29.12695 438.6062       41.51462 390.3250       40.87624 94.34976 4.508296 88.96465 4.710837 5.385117       6.520484 
1 1 1 -5  12 33 o 109.5986 3.905560 590.9074       41.83113 686.7000       81.73412 556.9113       48.69138 117.4814 7.141418 106.2727 4.692412 11.20866       8.545091 
1 1 1 -5  12 34 o 57.94961 4.810344 166.6195       27.03980 160.6000       53.37207 168.6980       31.36268 55.62027 10.17832 58.17798 5.575578 -2.557709      11.60540 
1 1 1 -5  12 35 o 52.39874 4.193297 136.0634       21.32778 138.2230       30.05564 133.8730       30.26958 52.49002 5.954931 51.61378 6.109826 0.8762360      8.531774 
1 1 1 -5  12 36 o 103.2330 3.263424 524.3804       32.93460 565.4545       47.31742 485.7817       45.86945 106.9424 4.530540 99.05849 4.744494 7.883904       6.560185 
1 1 1 -5  12 37 o 69.33068 4.295182 238.1827       29.00517 232.6711       34.30587 252.0000       54.31719 68.33240 5.167331 70.27684 8.040798 -1.944443      9.558020 
1 1 1 -5  12 38 o 30.19796 7.709208 47.80262       22.86244 41.46289       26.59562 65.75000       44.74815 28.42678 8.724562 35.52634 11.37737 -7.099558      14.33745 
1 1 1 -5  12 39 o 62.30620 3.854790 192.3947       23.39409 171.9665       32.34008 214.8176       33.88227 58.44284 5.726754 65.49132 5.331540 -7.048481      7.824387 
1 1 1 -5  12 40 o 77.03956 3.972011 294.2484       29.85119 270.8953       36.67350 340.1000       51.38743 73.59480 5.122936 82.00948 6.453536 -8.414688      8.239697 
1 1 1 -5  12 41 o 19.72382 7.463773 14.87836       19.75762 2.588988       26.82913 29.44048       29.20477 19.24337 8.173517 25.45728 9.171851 -6.213903      12.28533 
1 1 1 -5  12 42 o 68.62275 4.307032 234.6544       28.78436 228.5000       45.53592 238.7501       37.14749 66.71672 7.080895 68.81726 5.562108 -2.100540      9.004229 
1 1 1 -5  12 43 o 41.86248 5.394300 89.19005       21.59054 108.0493       30.89633 71.19112       30.18342 45.53597 7.168525 36.34966 8.615570 9.186314       11.20785 
1 1 1 -5  12 44 o 62.77557 4.007840 196.6027       24.49814 186.3965       34.69476 206.7513       34.59665 60.43492 5.941766 63.81980 5.594781 -3.384876      8.161260 
1 1 1 -5  12 45 f 38.79328 5.861133 77.91162       21.56247 49.92876       30.26029 106.7757       30.73307 30.29118 9.308007 44.97527 7.225812 -14.68410      11.78352 
1 1 1 -5  12 46 o 19.94595 7.612374 15.93214       20.65996 12.63033       30.15055 18.85471       28.36621 21.61170 8.881061 22.42025 8.818818 -0.8085461     12.51578 
1 1 1 -5  12 47 o 24.71618 8.450377 31.37060       24.57080 61.15000       51.40411 22.55178       27.97338 33.23193 12.14017 23.06878 8.844509 10.16314       15.02028 
1 1 1 -5  12 48 o 47.16353 4.949312 113.7184       22.50850 155.0147       32.61089 76.14530       31.10607 54.51516 6.222692 36.85517 8.753438 17.66000       10.73986 
1 1 1 -5  12 49 o 43.34365 5.402971 97.17643       22.42628 101.8185       31.33436 92.30141       32.11100 43.27157 7.679191 40.81168 8.320746 2.459892       11.32275 
1 1 1 -5  12 50 o 27.10056 7.256320 40.31060       19.63111 24.83628       21.86314 104.7000       44.59785 22.36950 7.949929 41.75929 10.82295 -19.38980      13.42898 
1 1 1 -5  12 51 o 19.67631 7.282318 17.54807       18.59505 13.24041       20.71968 35.38000       42.15620 19.04608 7.523023 27.28497 10.74515 -8.238890      13.11694 
1 1 1 -5  12 52 o 21.73223 7.794448 23.43511       21.06450 23.43511       21.06450 0.000000       0.000000 21.73223 7.794448 ?        ?        ?              ?        
1 1 1 -5  12 53 o 18.89060 7.239423 14.99211       18.73599 5.573250       20.90535 53.44000       42.23714 17.26889 7.268875 30.24879 11.01157 -12.97991      13.19436 
1 1 1 -5  12 54 o 52.12265 4.861929 140.1012       24.51899 144.3076       28.55628 128.3000       47.83140 52.44860 5.651492 45.52599 10.88187 6.922611       12.26191 
1 1 1 -5  12 55 o 48.25288 5.321126 121.6130       24.71551 101.3151       28.86372 177.4000       47.85120 42.96544 7.111780 55.34038 9.153455 -12.37494      11.59151 
1 1 1 -5  12 56 o 20.33459 7.762568 18.53517       21.48659 26.09590       24.97160 -3.024000      42.16775 22.80353 8.439181 21.38107 9.617693 1.422459       12.79530 
1 1 1 -5  12 57 o 33.94818 7.230311 64.28674       23.28928 54.99575       27.06929 90.76000       45.69298 30.67775 8.645710 37.45252 11.42448 -6.774769      14.32714 
1 1 1 -5  12 58 o 19.01285 7.975594 9.109004       25.03372 4.884056       30.57001 17.71000       43.61736 19.68351 8.546294 24.10677 10.33533 -4.423264      13.41112 
1 1 1 -5  12 59 o 29.36854 8.416146 50.59493       25.43760 73.64908       31.45175 6.994000       43.25319 35.02670 9.094365 22.54683 9.965708 12.47987       13.49158 
1 1 1 -5  12 60 o 27.05754 7.365053 41.91732       20.02465 40.66594       22.39849 46.90000       44.69468 26.46786 7.983217 28.25941 11.08353 -1.791548      13.65929 
1 1 1 -5  12 61 o 18.73573 7.569875 13.10330       21.46331 13.10330       21.46331 0.000000       0.000000 18.73573 7.569875 ?        ?        ?              ?        
1 1 1 -5  13 1  o 910.5363 19.57235 40992.38       1744.401 44930.00       3230.433 39371.61       2072.545 942.1459 35.09101 889.8832 23.81526 52.26270       42.40926 
1 1 1 -5  13 2  o 295.5936 8.131739 4287.113       235.0563 4348.000       336.3623 4229.000       328.6126 297.3029 11.58066 293.2141 11.47181 4.088776       16.30074 
1 1 1 -5  13 3  o 330.1544 8.985507 5350.334       290.1095 5240.000       405.5206 5466.000       415.2042 326.2495 12.72302 333.2164 12.75356 -6.966949      18.01468 
1 1 1 -5  13 4  o 374.0682 8.214964 6860.947       300.7895 7006.801       374.2903 6595.000       505.4145 377.7061 10.13306 365.8127 14.14170 11.89340       17.39731 
1 1 1 -5  13 5  o 247.9568 6.980484 3015.530       169.2526 2933.000       236.6171 3102.000       242.1991 244.2675 9.916951 251.2227 9.868546 -6.955231      13.99050 
1 1 1 -5  13 6  o 437.1393 9.519370 9376.572       407.3186 9925.000       732.7178 9131.297       490.0083 448.2245 16.73007 430.9543 11.62687 17.27017       20.37350 
1 1 1 -5  13 7  o 499.2285 9.365206 12229.24       457.6389 11917.29       636.7065 12562.64       658.2281 492.0115 13.23282 505.1466 13.32392 -13.13510      18.77856 
1 1 1 -5  13 8  o 339.9899 7.542190 5667.182       250.9977 5753.760       310.8555 5505.000       425.4577 342.2981 9.286439 334.2617 13.02855 8.036377       15.99941 
1 1 1 -5  13 9  o 277.8228 6.301852 3782.428       171.3730 3307.000       273.4962 4089.763       219.8949 259.2314 10.80215 288.6872 7.788941 -29.45572      13.31743 
1 1 1 -5  13 10 o 572.7051 12.38244 16138.05       694.1341 19130.00       1359.868 15083.81       807.2151 619.3947 22.46691 552.8203 14.93128 66.57434       26.97601 
1 1 1 -5  13 11 o 347.7977 6.660209 5930.068       226.7361 5824.091       318.1693 6039.421       323.1964 344.2547 9.451120 350.5692 9.427163 -6.314484      13.34897 
1 1 1 -5  13 12 o 242.3674 5.585682 2878.626       132.5125 3335.000       251.3160 2702.888       155.9530 260.3311 9.880452 234.6823 6.796178 25.64874       11.99214 
1 1 1 -5  13 13 o 266.2459 6.079878 3475.074       158.4470 3054.000       254.2840 3742.330       202.5830 248.9741 10.45747 276.0733 7.503696 -27.09923      12.87106 
1 1 1 -5  13 14 o 153.5464 3.509665 1154.563       52.74868 1129.647       73.85613 1180.506       75.36246 151.7529 4.978881 155.1356 4.969332 -3.382751      7.034452 
1 1 1 -5  13 15 o 288.4485 5.632441 4079.020       159.0271 4041.344       224.2347 4117.146       225.5677 286.7541 7.996708 289.4371 7.969482 -2.683014      11.28982 
1 1 1 -5  13 16 o 153.6491 3.506513 1156.257       52.73656 1153.856       74.37994 1158.684       74.78322 153.3534 4.961673 153.6730 4.978217 -0.3195496     7.028574 
1 1 1 -5  13 17 o 64.88445 3.312316 206.7266       20.96714 205.7000       29.78690 207.7348       29.51894 64.60987 4.743046 64.93655 4.675438 -0.3266830     6.660045 
1 1 1 -5  13 18 o 169.7554 4.357590 1413.157       72.34639 1585.000       135.7958 1345.053       85.48881 179.4144 7.750835 165.5328 5.282938 13.88167       9.380025 
1 1 1 -5  13 19 o 169.3823 5.116722 1408.193       84.73598 1457.000       120.8544 1361.000       118.8405 172.0570 7.191881 166.2649 7.320210 5.792114       10.26200 
1 1 1 -5  13 20 o 75.89518 3.712113 282.8947       27.49300 364.1000       55.04724 255.9065       31.73442 85.84988 6.601385 72.11010 4.518736 13.73978       7.999829 
1 1 1 -5  13 21 o 225.1907 5.323722 2488.058       117.3470 2425.000       201.8587 2520.246       144.2201 221.5564 9.328890 226.4099 6.514422 -4.853531      11.37831 
1 1 1 -5  13 22 o 139.5703 4.827125 956.6001       65.84666 831.3000       91.36819 1092.000       94.97920 129.8129 7.219130 148.9329 6.531139 -19.12000      9.735071 
1 1 1 -5  13 23 o 182.7231 5.622107 1640.714       100.4342 1502.000       138.4049 1795.000       145.9675 174.4272 8.128815 190.7720 7.833577 -16.34488      11.28905 
1 1 1 -5  13 24 o 141.3695 4.039946 980.5801       55.84597 897.1000       95.98569 1023.300       68.66415 134.8181 7.300886 144.3377 4.867048 -9.519638      8.774457 
1 1 1 -5  13 25 o 269.3610 7.573097 3576.257       199.4726 0.000000       0.000000 3576.257       199.4726 ?        ?        269.3610 7.573097 ?              ?        
1 1 1 -5  13 26 o 171.7392 5.409820 1449.981       90.82732 0.000000       0.000000 1449.981       90.82732 ?        ?        171.7392 5.409820 ?              ?        
1 1 1 -5  13 27 f 211.0886 4.390112 2186.290       90.70821 2018.315       122.1151 2393.063       135.4859 202.4752 6.168763 220.4642 6.284825 -17.98900      8.806398 
1 1 1 -5  13 28 o 184.9350 4.011544 1677.661       72.61675 1680.700       102.7029 1674.623       102.6882 184.8044 5.684353 184.4679 5.693954 0.3364410      8.045681 
1 1 1 -5  13 29 o 120.1432 3.265831 708.1675       38.37037 737.9589       54.55830 679.0104       53.97422 122.5063 4.557788 117.4863 4.702960 5.019951       6.549143 
1 1 1 -5  13 30 f 159.8221 3.695950 1253.210       57.81883 1229.813       80.97056 1277.553       82.58983 158.0405 5.241478 161.0813 5.245111 -3.040787      7.415139 
1 1 1 -5  13 31 o 172.5986 4.513016 1465.192       76.17939 1465.771       92.87074 1464.000       133.1873 172.4249 5.509734 171.6444 7.948915 0.7804871      9.671733 
1 1 1 -5  13 32 o 147.4678 4.174367 1069.714       60.19450 1049.210       72.80774 1114.000       107.0019 145.8634 5.107350 149.7157 7.323822 -3.852341      8.928796 
1 1 1 -5  13 33 o 130.1292 3.950004 833.2321       50.25454 784.9391       59.51608 953.2000       93.80476 126.1292 4.829650 138.4329 6.944942 -12.30374      8.459181 
1 1 1 -5  13 34 o 120.1086 3.316526 709.1973       38.95361 719.3063       55.03163 699.0461       55.14600 120.6996 4.666802 118.9674 4.745173 1.732208       6.655501 
1 1 1 -5  13 35 o 75.45269 5.120707 282.7415       37.59501 358.4000       62.61899 240.1000       47.01038 84.28375 7.674325 69.03389 7.056195 15.24986       10.42522 
1 1 1 -5  13 36 o 50.40350 5.382840 127.3103       26.14638 85.98000       50.25298 142.6517       30.61685 40.23128 11.91634 53.24874 5.977220 -13.01746      13.33140 
1 1 1 -5  13 37 o 77.13151 4.114020 294.5236       30.94785 262.9000       56.76886 307.8961       36.91586 71.62263 8.247977 78.70446 4.814939 -7.081825      9.550538 
1 1 1 -5  13 38 o 20.62534 7.399449 18.51345       18.98503 12.03720       25.92591 26.00169       27.87802 20.89795 8.362604 24.53168 8.943702 -3.633724      12.24430 
1 1 1 -5  13 39 o 82.68451 4.786789 340.5446       38.57572 340.5446       38.57572 0.000000       0.000000 82.68451 4.786789 ?        ?        ?              ?        
1 1 1 -5  13 40 o 42.24437 6.300402 91.52319       25.25673 75.61401       29.19869 138.8000       50.33426 37.78883 8.134919 50.56633 10.51272 -12.77750      13.29264 
1 1 1 -5  13 41 o 22.72438 9.444115 9.832000       34.62014 9.832000       34.62014 0.000000       0.000000 22.72438 9.444115 ?        ?        ?              ?        
1 1 1 -5  13 42 f 113.0064 3.424290 631.5342       37.83366 663.9520       54.83967 602.0912       52.26302 115.2683 4.871458 109.7553 4.876956 5.513031       6.893171 
1 1 1 -5  13 43 o 86.84007 3.540278 373.8290       30.02979 397.3759       43.39424 352.1894       41.59964 88.98210 5.002367 83.71284 5.101028 5.269257       7.144519 
1 1 1 -5  13 44 o 47.83133 5.010691 115.9987       23.11162 144.2993       34.03954 91.79438       31.47985 52.71419 6.751872 41.35497 8.066557 11.35922       10.51937 
1 1 1 -5  13 45 o 84.62041 4.252754 358.6841       35.11214 337.4243       42.90419 401.8000       61.09958 81.49238 5.409309 87.77064 7.174396 -6.278259      8.985130 
1 1 1 -5  13 46 o 17.28540 7.458119 0.6291759      22.98944 6.881000       48.39733 -1.192525      26.12502 24.76437 10.75280 18.01589 7.860307 6.748480       13.31942 
1 1 1 -5  13 47 o 46.12350 5.106302 109.0084       22.66774 132.6902       33.84498 89.74426       30.52544 49.96094 7.122234 40.52339 7.979844 9.437550       10.69599 
1 1 1 -5  13 48 o 54.97108 4.181319 152.4742       22.32973 135.5502       25.05581 217.8000       49.22653 51.46250 5.038557 63.35835 8.124327 -11.89584      9.559902 
1 1 1 -5  13 49 o 23.39662 7.438899 29.08575       19.15697 40.46104       21.47684 -15.20000      42.37611 27.12130 7.720661 20.61218 9.417053 6.509117       12.17742 
1 1 1 -5  13 50 o 82.61934 4.200506 344.4327       33.85806 330.5515       41.06572 373.9000       59.83212 80.25534 5.256495 83.54090 7.393172 -3.285561      9.071369 
1 1 1 -5  13 51 o 38.59298 6.212113 79.21770       22.67043 79.21770       22.67043 0.000000       0.000000 38.59298 6.212113 ?        ?        ?              ?        
1 1 1 -5  13 52 o 33.59702 6.426936 61.05244       20.36557 51.33067       23.02751 95.96000       43.63491 30.18351 7.753612 39.31937 10.93947 -9.135862      13.40860 
1 1 1 -5  13 53 o 61.73197 4.399423 194.4010       26.40927 200.3194       31.04415 178.9000       50.24105 62.21310 5.143833 55.25022 9.640523 6.962883       10.92697 
1 1 1 -5  13 54 o 44.91906 4.917800 104.4418       21.26960 100.9662       23.93342 117.5000       46.39038 43.74520 5.726823 43.45778 10.92040 0.2874222      12.33092 
1 1 1 -5  13 55 o 57.23292 4.084222 166.4536       22.72991 163.1867       25.67343 178.3000       48.88897 56.33345 4.698734 55.27090 9.371081 1.062550       10.48309 
1 1 1 -5  13 56 o 31.78793 6.733053 55.67003       20.29712 59.72211       22.77219 40.01000       44.76742 32.65683 7.306938 27.71609 11.02274 4.940744       13.22468 
1 1 1 -5  13 57 o 24.39102 7.756070 33.19255       20.82482 39.03389       23.47555 11.62000       45.11391 26.17502 8.223669 23.60056 10.31240 2.574467       13.18993 
1 1 1 -5  13 58 o 47.22530 5.480389 117.4402       24.86346 124.9938       29.00134 96.49000       48.29902 48.21618 6.295147 38.10752 11.76837 10.10866       13.34629 
1 1 1 -5  13 59 o 23.68445 7.958396 31.18846       21.78623 22.86783       25.06353 56.91000       44.06690 21.83840 8.372098 30.19712 11.20419 -8.358725      13.98663 
1 1 1 -5  13 60 o 20.17095 8.024040 17.17624       23.72877 17.17624       23.72877 0.000000       0.000000 20.17095 8.024040 ?        ?        ?              ?        
1 1 1 -5  14 1  o 319.7957 8.741220 5020.307       273.3653 4861.000       378.5072 5194.000       395.2284 314.2061 12.33097 324.7865 12.45517 -10.58035      17.52667 
1 1 1 -5  14 2  o 207.5176 4.292486 2108.753       87.19065 2206.000       179.9528 2078.919       99.67147 211.8902 8.694911 206.0259 4.942456 5.864288       10.00147 
1 1 1 -5  14 3  o 326.6592 7.262604 5230.703       232.2167 0.000000       0.000000 5230.703       232.2167 ?        ?        326.6592 7.262604 ?              ?        
1 1 1 -5  14 4  o 232.5891 5.411977 2650.012       123.2116 0.000000       0.000000 2650.012       123.2116 ?        ?        232.5891 5.411977 ?              ?        
1 1 1 -5  14 5  o 184.2471 4.563741 1662.509       82.30530 1479.000       135.8145 1769.019       103.4695 173.4776 8.019977 189.9453 5.571177 -16.46767      9.765144 
1 1 1 -5  14 6  o 430.6579 9.386374 9103.268       395.6731 9142.681       486.2254 9026.000       680.7928 431.1201 11.53250 427.2800 16.30775 3.840057       19.97351 
1 1 1 -5  14 7  o 237.7177 5.513038 2768.563       128.2799 2626.000       216.5603 2845.625       159.2195 231.0737 9.595514 240.8454 6.760544 -9.771744      11.73792 
1 1 1 -5  14 8  o 94.78113 3.060365 440.2719       28.35513 462.2585       42.91648 423.2384       37.77431 97.04420 4.530527 92.87115 4.165973 4.173050       6.154755 
1 1 1 -5  14 9  o 183.8860 3.942573 1655.916       70.96344 1590.642       98.90573 1725.168       101.8750 180.0815 5.617947 187.5536 5.555399 -7.472015      7.900873 
1 1 1 -5  14 10 o 450.4232 8.485832 9959.323       374.1290 9745.248       522.6191 10184.35       535.8246 444.7229 12.01677 454.6300 12.05151 -9.907043      17.01886 
1 1 1 -5  14 11 o 188.1405 4.601950 1734.024       84.74817 1882.000       152.6101 1668.043       101.9057 195.6548 7.985461 184.3954 5.652693 11.25946       9.783687 
1 1 1 -5  14 12 f 172.6271 4.324958 1460.696       73.02220 1549.000       129.2027 1419.251       88.51491 177.5106 7.452608 170.0911 5.323086 7.419495       9.158417 
1 1 1 -5  14 13 o 95.19974 2.974605 444.1945       27.68458 428.4454       39.27744 459.7438       39.02758 93.41962 4.306942 96.79021 4.128886 -3.370583      5.966360 
1 1 1 -5  14 14 o 226.0945 4.587972 2504.850       101.5353 2439.378       141.7567 2573.827       145.5018 222.8899 6.504465 228.9556 6.499057 -6.065674      9.194880 
1 1 1 -5  14 15 o 225.6746 4.578802 2495.813       101.1441 2547.863       145.2273 2446.786       140.9474 227.7694 6.520695 223.2095 6.457956 4.559921       9.177400 
1 1 1 -5  14 16 o 154.1365 3.530823 1163.740       53.27062 1223.443       77.38497 1109.966       73.44167 157.8938 5.013443 150.3869 4.996083 7.506912       7.077815 
1 1 1 -5  14 17 o 107.0773 3.403991 562.1771       35.63198 539.9000       56.56276 576.8341       45.88016 104.7699 5.535176 108.4045 4.332585 -3.634598      7.029187 
1 1 1 -5  14 18 o 110.1464 3.053027 594.6491       32.88424 634.3105       47.07832 556.8615       45.95277 113.6875 4.238020 106.4971 4.417857 7.190338       6.121950 
1 1 1 -5  14 19 o 221.1945 4.507483 2398.603       97.59210 2577.680       143.8917 2246.055       132.8061 229.0146 6.425335 213.7739 6.353885 15.24071       9.036414 
1 1 1 -5  14 20 o 310.2351 8.596868 4745.042       260.8065 5077.000       385.9260 4466.000       353.8325 319.6806 12.35663 299.8990 12.07830 19.78162       17.27923 
1 1 1 -5  14 21 o 412.4846 11.16136 8431.739       450.2272 7927.000       611.3277 9030.000       665.5582 397.5019 15.74303 424.0833 16.06255 -26.58145      22.49108 
1 1 1 -5  14 22 o 119.6662 4.584948 703.3397       53.60530 630.1000       78.70900 766.7000       73.20824 112.9539 7.155748 124.7938 6.010901 -11.83990      9.345356 
1 1 1 -5  14 23 o 226.3242 5.368948 2514.528       118.9396 2398.000       202.9234 2575.512       146.7997 220.1252 9.439888 228.7885 6.561962 -8.663361      11.49656 
1 1 1 -5  14 24 o 179.7492 5.564577 1588.212       97.78719 0.000000       0.000000 1588.212       97.78719 ?        ?        179.7492 5.564577 ?              ?        
1 1 1 -5  14 25 o 231.1652 6.680172 2631.419       150.9943 0.000000       0.000000 2631.419       150.9943 ?        ?        231.1652 6.680172 ?              ?        
1 1 1 -5  14 26 o 168.0836 4.433085 1387.227       72.87159 1285.000       125.2997 1439.475       89.57891 161.1733 7.967076 171.0946 5.355481 -9.921280      9.599764 
1 1 1 -5  14 27 o 255.0298 5.937853 3198.909       148.2267 3099.000       254.3120 3250.313       182.4156 249.5281 10.43520 256.6555 7.268467 -7.127441      12.71708 
1 1 1 -5  14 28 o 223.5346 4.588408 2453.660       100.3952 2297.713       136.3823 2638.126       148.3296 215.8667 6.461824 231.2928 6.558403 -15.42609      9.206944 
1 1 1 -5  14 29 o 278.9359 5.511688 3828.417       150.4857 3881.123       214.6564 3777.477       211.0279 279.9766 7.840499 276.2212 7.812918 3.755371       11.06866 
1 1 1 -5  14 30 o 152.2583 3.585465 1137.547       53.43584 1116.076       74.83588 1159.882       76.32552 150.5319 5.086269 153.4605 5.088243 -2.928604      7.194466 
1 1 1 -5  14 31 o 89.76653 3.405875 396.0226       29.87177 407.2000       46.19058 387.9872       39.16383 90.77421 5.220600 88.70765 4.525382 2.066559       6.908961 
1 1 1 -5  14 32 o 138.4227 4.020327 942.7190       54.41450 922.1259       65.40968 989.0000       98.05803 136.7274 4.895328 140.9979 7.128130 -4.270477      8.647223 
1 1 1 -5  14 33 o 36.08933 4.833844 65.34161       16.64666 80.42699       21.68590 43.70057       25.97396 39.93813 5.709613 29.24586 8.541687 10.69227       10.27424 
1 1 1 -5  14 34 o 109.0352 3.745118 585.5894       39.91106 579.6046       47.67932 599.6000       72.95135 108.3210 4.506722 109.5266 6.838801 -1.205612      8.190223 
1 1 1 -5  14 35 o 52.88609 3.798635 138.4304       19.53317 147.7160       26.09260 126.5925       29.46130 54.43480 4.951169 50.10030 6.135571 4.334496       7.884117 
1 1 1 -5  14 36 o 77.12911 3.313408 293.2506       24.95659 296.1724       33.96374 289.8216       36.79380 77.27858 4.509634 76.33974 4.950698 0.9388428      6.696732 
1 1 1 -5  14 37 o 71.71723 4.279634 255.1863       29.90589 234.6000       55.04073 263.8096       35.62294 67.40263 8.533557 72.73621 5.034553 -5.333572      9.907992 
1 1 1 -5  14 38 o 95.83134 4.828740 456.9992       45.14877 513.3000       71.06795 418.9000       58.46215 100.5550 7.269519 91.08483 6.602074 9.470192       9.820045 
1 1 1 -5  14 39 o 36.88925 7.184348 71.05870       25.00821 29.40000       48.07968 86.50948       29.28086 28.89350 11.44501 40.65620 7.638228 -11.76270      13.75975 
1 1 1 -5  14 40 o 60.43364 4.345989 182.0872       25.53664 173.6000       39.79485 188.0288       33.29637 58.10411 7.147467 61.04230 5.636240 -2.938190      9.102388 
1 1 1 -5  14 41 o 78.85960 3.551108 307.9888       27.34066 344.1768       39.42669 274.4664       37.94683 82.94944 4.877435 73.90251 5.280578 9.046928       7.188454 
1 1 1 -5  14 42 o 30.61301 10.17333 48.81000       35.61526 48.81000       35.61526 0.000000       0.000000 30.61301 10.17333 ?        ?        ?              ?        
1 1 1 -5  14 43 o 37.77578 7.306968 75.60845       26.04109 58.59789       31.07841 115.7000       47.71180 32.74264 9.276346 45.27318 10.89837 -12.53054      14.31171 
1 1 1 -5  14 44 o 23.64596 8.510333 26.34017       25.13617 26.81230       30.44876 25.33000       44.53865 24.66883 9.280918 26.88743 10.88973 -2.218601      14.30810 
1 1 1 -5  14 45 o 25.17867 9.577233 28.25657       32.63233 6.666000       48.50402 46.11000       44.10689 24.80257 10.76705 30.12039 11.20290 -5.317820      15.53815 
1 1 1 -5  14 46 o 28.62192 7.027420 44.30309       19.54086 26.30226       21.76278 119.2000       44.39152 22.94407 7.948618 45.58534 10.20365 -22.64127      12.93426 
1 1 1 -5  14 47 o 30.87722 6.712614 51.30559       19.70790 62.60423       22.32855 11.47000       41.92598 34.09863 6.926482 23.87890 10.18255 10.21972       12.31505 
1 1 1 -5  14 48 o 34.71300 5.890343 63.45950       19.29956 62.63039       21.68376 66.62000       42.33575 34.13878 6.728377 33.69425 11.08756 0.4445305      12.96939 
1 1 1 -5  14 49 o 30.24499 6.645634 49.52239       19.13582 53.32880       21.37960 34.19000       42.90882 31.21136 7.151733 27.30018 10.81264 3.911180       12.96382 
1 1 1 -5  14 50 o 39.51299 5.972485 82.46530       22.37927 82.46530       22.37927 0.000000       0.000000 39.51299 5.972485 ?        ?        ?              ?        
1 1 1 -5  14 51 o 38.94749 5.238371 79.03768       19.46430 66.91344       21.67682 129.5000       44.22338 35.20844 6.530274 46.87421 9.946825 -11.66578      11.89890 
1 1 1 -5  14 52 o 25.80039 7.648814 37.16245       20.69700 31.44773       23.64491 55.89000       42.80364 24.17332 8.288918 30.71055 11.09857 -6.537237      13.85224 
1 1 1 -5  14 53 o 22.75453 7.429769 27.96053       19.02603 23.66958       21.23569 45.42000       42.83563 21.70217 7.820749 28.63483 10.95315 -6.932665      13.45866 
1 1 1 -5  14 54 o 60.73104 3.960144 186.9301       23.41276 177.1855       26.40214 222.8000       50.65492 58.75397 4.628224 62.77151 8.459418 -4.017544      9.642729 
1 1 1 -5  14 55 o 48.08194 4.634460 119.0921       21.54166 126.0253       24.25296 93.18000       46.88656 49.21541 5.108746 37.82288 11.57957 11.39253       12.65645 
1 1 1 -5  14 56 o 44.44040 5.028221 102.8075       21.48872 100.6983       24.06699 111.1000       47.71955 43.56829 5.786386 41.49482 11.39994 2.073475       12.78440 
1 1 1 -5  14 57 o 24.55285 7.488540 33.81257       19.63319 36.26250       21.84725 23.53000       44.75804 25.31335 7.930553 25.05120 10.59499 0.2621479      13.23433 
1 1 1 -5  14 58 o 23.32516 7.507927 30.15705       19.46885 37.33810       21.65752 -0.8190000E-01 44.44247 25.60184 7.875888 21.96838 9.878476 3.633463       12.63384 
1 1 1 -5  14 59 o 25.01452 8.046114 35.82470       22.36268 35.82470       22.36268 0.000000       0.000000 25.01452 8.046114 ?        ?        ?              ?        
1 1 1 -5  14 60 o 32.26874 7.548364 60.19889       23.41517 71.41090       27.68849 32.05000       43.87206 34.71771 8.266993 25.60232 10.63505 9.115393       13.47024 
1 1 1 -5  15 1  o 586.5552 12.65011 16933.29       726.2890 16930.00       1257.027 16934.93       889.8527 582.7634 22.07659 585.5468 15.53940 -2.783386      26.99720 
1 1 1 -5  15 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 4  o 575.1843 10.74007 16261.45       604.6727 15810.00       1184.509 16420.55       703.2001 563.1172 21.52950 577.5682 12.43854 -14.45105      24.86436 
1 1 1 -5  15 5  o 580.6103 15.42845 16661.91       876.0486 15810.00       1192.695 17660.00       1290.973 562.8706 21.68842 594.6550 22.21828 -31.78436      31.04898 
1 1 1 -5  15 6  o 87.69865 3.052119 377.0079       26.16002 340.3000       55.79445 387.3514       29.61723 83.01851 6.929231 88.87782 3.410764 -5.859306      7.723182 
1 1 1 -5  15 7  o 154.5939 3.537233 1170.282       53.52569 1084.000       105.8971 1199.889       62.03318 148.4792 7.308844 156.4719 4.053660 -7.992691      8.357712 
1 1 1 -5  15 8  o 185.0933 5.703006 1680.717       103.2006 1634.000       144.0347 1730.000       147.9391 182.2779 8.093029 187.5680 8.076756 -5.290085      11.43377 
1 1 1 -5  15 9  o 401.0999 8.780251 7902.265       344.7193 8523.000       629.7166 7636.655       411.9208 414.6816 15.54152 393.8150 10.69591 20.86661       18.86640 
1 1 1 -5  15 10 o 158.8665 4.176056 1237.135       64.88258 1054.000       106.9467 1343.799       81.61893 146.3571 7.490215 165.5211 5.043572 -19.16397      9.030003 
1 1 1 -5  15 11 o 177.3756 3.839978 1541.012       66.66975 1517.106       94.44390 1564.757       94.12742 175.8366 5.494038 178.5878 5.390829 -2.751221      7.697109 
1 1 1 -5  15 12 o 242.7822 4.866055 2888.694       115.6379 2852.515       163.4134 2924.982       163.6602 240.9892 6.934827 244.0432 6.858059 -3.053940      9.753195 
1 1 1 -5  15 13 f 208.3123 4.303801 2126.202       87.75526 2058.581       122.1524 2198.325       126.1537 204.7642 6.101357 211.6065 6.097023 -6.842331      8.625558 
1 1 1 -5  15 14 o 350.0839 6.699260 6016.178       229.5647 6124.475       328.6520 5912.995       320.7975 352.5549 9.532396 346.4255 9.469401 6.129395       13.43637 
1 1 1 -5  15 15 o 268.4051 5.288756 3532.831       138.9474 3460.558       194.3867 3608.337       198.6866 265.2751 7.493750 270.8832 7.500642 -5.608124      10.60264 
1 1 1 -5  15 16 o 271.8092 5.345785 3623.568       142.2269 3575.199       199.5877 3673.471       202.7275 269.5937 7.570910 273.2738 7.586280 -3.680084      10.71776 
1 1 1 -5  15 17 o 79.09052 3.732689 307.1634       28.81544 306.3000       39.94604 308.1000       41.60707 78.85524 5.204416 79.06728 5.408632 -0.2120361     7.505948 
1 1 1 -5  15 18 o 168.6837 3.719600 1394.249       61.41515 1434.471       88.17503 1356.349       85.59089 170.9156 5.276893 166.1928 5.268149 4.722809       7.456473 
1 1 1 -5  15 19 o 153.0686 4.787374 1150.208       71.63998 1120.000       99.29801 1183.000       103.4585 150.8153 6.743550 154.9943 6.836186 -4.178970      9.602548 
1 1 1 -5  15 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  15 21 o 324.7172 6.287098 5181.158       199.8305 5560.691       297.1336 4867.743       270.0148 335.5615 9.054625 314.0231 8.793214 21.53839       12.62168 
1 1 1 -5  15 22 o 117.8032 3.138493 680.3833       36.15742 657.4844       49.97686 705.5336       52.37609 115.7011 4.421046 119.8554 4.472305 -4.154327      6.288653 
1 1 1 -5  15 23 o 327.2982 9.000438 5294.257       288.0719 0.000000       0.000000 5294.257       288.0719 ?        ?        327.2982 9.000438 ?              ?        
1 1 1 -5  15 24 o 158.2231 5.150010 1230.432       79.65357 0.000000       0.000000 1230.432       79.65357 ?        ?        158.2231 5.150010 ?              ?        
1 1 1 -5  15 25 o 222.6554 5.325795 2435.379       116.0711 2378.000       201.3218 2463.949       142.0585 218.9553 9.415543 223.6616 6.495757 -4.706360      11.43885 
1 1 1 -5  15 26 o 294.3437 5.763297 4259.974       166.0473 4196.676       232.1047 4326.330       237.6461 291.3640 8.146449 295.8088 8.215504 -4.444763      11.56975 
1 1 1 -5  15 27 o 317.0943 7.156365 4960.873       222.1197 4759.000       377.0356 5068.177       274.8855 307.7887 12.54105 319.7357 8.791578 -11.94702      15.31567 
1 1 1 -5  15 28 o 229.2579 5.458617 2585.791       122.4935 2634.000       218.2946 2563.635       147.9887 229.8929 9.722837 227.8944 6.641288 1.998489       11.77456 
1 1 1 -5  15 29 o 63.70316 3.149305 199.4853       19.57643 201.5395       25.62578 196.6062       30.33726 63.93225 4.116854 63.03502 4.956715 0.8972359      6.443408 
1 1 1 -5  15 30 o 177.7861 3.893649 1552.392       67.75804 1528.647       94.83562 1577.155       96.84465 176.0267 5.510893 178.7928 5.540433 -2.766113      7.814496 
1 1 1 -5  15 31 o 171.4301 3.813580 1443.902       63.99206 1458.978       90.87461 1429.073       90.12691 171.9034 5.407449 170.1276 5.419108 1.775787       7.655536 
1 1 1 -5  15 32 o 98.35690 3.073511 475.3238       29.55374 443.5761       39.89200 513.9467       43.99990 94.83026 4.308925 102.0707 4.414404 -7.240486      6.168776 
1 1 1 -5  15 33 o 92.99505 3.108375 425.2090       28.25457 434.6820       39.07735 414.8311       40.90098 93.83692 4.265622 91.60495 4.575998 2.231972       6.255820 
1 1 1 -5  15 34 o 94.68805 3.099763 441.0333       28.69090 432.6129       39.12566 450.8281       42.19847 93.56319 4.283554 95.46284 4.528937 -1.899658      6.233787 
1 1 1 -5  15 35 o 135.0275 3.384526 897.7266       44.69756 904.6189       62.79089 890.6462       63.64147 135.1507 4.753890 134.0667 4.857711 1.083984       6.796824 
1 1 1 -5  15 36 o 20.83398 6.837376 21.01573       16.10381 30.50610       18.74846 -5.686000      31.44806 24.43420 7.288775 19.52722 8.569162 4.906979       11.24975 
1 1 1 -5  15 37 o 45.42206 4.553178 103.2083       19.97093 98.78181       24.02739 113.1000       35.91811 44.15842 5.691060 46.54308 8.182648 -2.384659      9.967140 
1 1 1 -5  15 38 o 142.7515 3.519514 1005.470       49.17786 1005.053       69.01709 1005.900       70.09135 142.0684 4.970757 142.0905 5.047586 -0.2203369E-01 7.084246 
1 1 1 -5  15 39 o 77.30716 3.652774 295.9228       27.56251 308.6000       42.15497 286.4563       36.42776 78.37222 5.530681 75.69352 4.943683 2.678696       7.418115 
1 1 1 -5  15 40 o 53.47095 4.037341 142.4401       20.97486 167.5580       29.79492 117.7624       29.53268 57.65890 5.339877 47.90842 6.462390 9.750477       8.383124 
1 1 1 -5  15 41 o 43.95876 6.002448 99.02745       25.15342 153.6000       56.29631 85.41551       28.11595 52.49505 11.29151 40.31013 7.398334 12.18492       13.49939 
1 1 1 -5  15 42 o 74.47133 5.894993 281.7323       42.62102 251.1000       62.85852 307.8000       57.98631 68.22773 9.684056 76.82848 7.819618 -8.600746      12.44698 
1 1 1 -5  15 43 f 62.00492 5.716139 196.0845       34.30222 216.7000       44.18159 164.8000       54.42628 64.51940 7.113870 54.21609 10.63602 10.30331       12.79578 
1 1 1 -5  15 44 o 63.58829 6.557282 209.8629       40.22923 190.2000       59.91990 226.0000       54.28238 57.68222 11.01421 64.60151 8.814034 -6.919292      14.10674 
1 1 1 -5  15 45 o 45.81545 5.627759 108.3491       24.70836 93.38216       29.20939 146.0000       46.32812 41.70481 7.427685 51.03735 9.626546 -9.332539      12.15898 
1 1 1 -5  15 46 o 16.48565 7.223660 -2.146754      22.27309 0.7170290      26.62676 -8.820000      40.64591 18.42646 7.988425 21.01236 9.447975 -2.585899      12.37252 
1 1 1 -5  15 47 o 17.50818 7.551787 1.343737       23.55559 -21.01915      28.54474 49.08000       41.70484 16.00756 7.459057 30.08899 10.94366 -14.08143      13.24391 
1 1 1 -5  15 48 o 40.48102 4.829153 84.11699       18.75810 83.26949       20.68999 88.03000       44.45752 40.03954 5.418067 38.16278 11.18306 1.876755       12.42643 
1 1 1 -5  15 49 o 22.40160 7.465012 26.18856       19.17378 26.18856       19.17378 0.000000       0.000000 22.40160 7.465012 ?        ?        ?              ?        
1 1 1 -5  15 50 o 28.00494 6.743958 42.86115       18.26454 46.18758       20.23710 28.25000       42.41329 28.93163 7.180101 26.07824 10.60293 2.853392       12.80531 
1 1 1 -5  15 51 o 33.45524 6.709410 61.04542       21.20598 68.28991       24.37344 38.48000       43.01646 35.11272 7.328797 27.60225 10.85907 7.510471       13.10079 
1 1 1 -5  15 52 o 43.13974 4.950957 96.51332       20.52766 100.0852       23.01732 82.63000       45.37901 43.65742 5.508698 35.97293 11.45048 7.684490       12.70666 
1 1 1 -5  15 53 o 23.18341 7.335102 29.33398       18.64582 26.71600       20.67354 40.75000       43.17070 22.50815 7.749451 27.84179 10.90086 -5.333635      13.37471 
1 1 1 -5  15 54 o 55.98732 4.028136 159.2238       21.92741 167.1532       24.70596 129.8000       47.59176 57.14338 4.452134 45.65882 10.81612 11.48455       11.69658 
1 1 1 -5  15 55 o 55.53736 4.130445 157.0701       22.29296 153.0082       24.91178 173.4000       49.94905 54.49197 4.716932 53.94742 9.820804 0.5445518      10.89484 
1 1 1 -5  15 56 o 22.34184 7.576522 26.74794       19.74593 31.55002       22.00084 6.858000       44.77557 23.93713 7.996867 22.96458 10.14545 0.9725456      12.91821 
1 1 1 -5  15 57 o 53.35981 4.388247 146.0608       22.71747 152.0563       25.64420 124.2000       48.96745 54.15520 4.890385 43.79608 11.33567 10.35912       12.34558 
1 1 1 -5  15 58 o 25.92504 7.837892 38.55669       21.57237 38.55669       21.57237 0.000000       0.000000 25.92504 7.837892 ?        ?        ?              ?        
1 1 1 -5  15 59 o 73.40380 3.774855 273.6572       27.03111 284.8007       30.86750 237.0000       55.98475 74.52852 4.248893 62.79919 9.396053 11.72933       10.31208 
1 1 1 -5  15 60 o 20.92750 7.447179 23.27760       19.19113 34.16333       21.37124 -22.06000      43.61443 24.31967 7.869533 19.22414 9.041797 5.095528       11.98681 
1 1 1 -5  16 1  o 183.6098 4.571124 1651.443       82.15330 0.000000       0.000000 1651.443       82.15330 ?        ?        183.6098 4.571124 ?              ?        
1 1 1 -5  16 2  f 305.6970 8.422122 4591.333       251.7705 0.000000       0.000000 4591.333       251.7705 ?        ?        305.6970 8.422122 ?              ?        
1 1 1 -5  16 3  o 381.8239 10.31652 7174.240       385.2163 6649.000       516.4365 7833.000       578.3644 366.6114 14.41958 397.8269 14.87877 -31.21555      20.71961 
1 1 1 -5  16 4  o 477.0917 12.74664 11230.41       594.7228 10650.00       809.7974 11910.00       876.2587 462.7716 17.91118 489.2369 18.33055 -26.46536      25.62849 
1 1 1 -5  16 5  o 293.0082 5.713120 4208.261       163.8549 4487.000       342.0100 4125.221       186.6731 301.6151 11.60622 290.0307 6.575541 11.58444       13.33949 
1 1 1 -5  16 6  o 270.4993 5.323244 3585.973       140.9447 3558.000       281.4221 3595.339       162.8391 268.6670 10.72287 270.7904 6.143548 -2.123444      12.35812 
1 1 1 -5  16 7  o 329.1964 9.002124 5329.486       289.8000 5284.000       407.5667 5376.000       412.1501 326.9940 12.75813 329.8245 12.79058 -2.830505      18.06568 
1 1 1 -5  16 8  o 202.7504 4.216064 2013.773       83.67104 1829.000       160.5199 2082.705       98.04389 192.7572 8.528815 206.1594 4.858601 -13.40215      9.815636 
1 1 1 -5  16 9  f 389.1721 7.398612 7435.236       281.8371 6646.000       522.1826 7759.651       334.7874 366.0339 14.60385 397.3560 8.607620 -31.32211      16.95180 
1 1 1 -5  16 10 o 180.4695 3.879517 1595.416       68.53109 1439.000       131.9183 1653.232       80.20279 170.9725 7.904043 183.6838 4.460796 -12.71129      9.075934 
1 1 1 -5  16 11 o 146.4754 3.976069 1051.865       56.95382 926.2000       96.20574 1119.668       70.66777 137.1555 7.191201 151.0687 4.785075 -13.91321      8.637727 
1 1 1 -5  16 12 f 194.0107 4.731621 1844.946       89.85489 1678.000       149.7133 1938.941       112.3375 184.5503 8.309113 198.7340 5.781071 -14.18370      10.12236 
1 1 1 -5  16 13 o 234.7362 4.728426 2701.033       108.6433 2637.706       152.0336 2767.119       155.3083 231.6845 6.711111 237.3072 6.692859 -5.622681      9.478046 
1 1 1 -5  16 14 o 178.8478 3.860902 1567.210       67.58940 1548.579       95.53410 1585.881       95.63768 177.5951 5.502316 179.7295 5.442573 -2.134399      7.739321 
1 1 1 -5  16 15 o 237.3303 4.778712 2761.604       111.0121 2837.277       160.3683 2691.980       153.8256 240.2402 6.826644 234.0189 6.722359 6.221298       9.580875 
1 1 1 -5  16 16 o 185.5756 3.963211 1687.681       71.99035 1692.498       102.4084 1682.974       101.2214 185.6298 5.642692 185.1121 5.592805 0.5176544      7.944775 
1 1 1 -5  16 17 f 40.90541 4.427322 82.98967       17.44450 76.26000       26.95545 87.83926       22.88243 38.74469 7.377052 41.91927 5.726303 -3.174583      9.338707 
1 1 1 -5  16 18 o 132.1612 3.301943 855.7186       42.71494 885.3947       61.14988 827.4402       59.69257 134.2847 4.659308 129.8056 4.705868 4.479004       6.622262 
1 1 1 -5  16 19 o 64.32125 3.831149 203.4917       24.01140 201.1000       33.24496 206.1000       34.71738 63.78616 5.374630 64.55937 5.547649 -0.7732086     7.724187 
1 1 1 -5  16 20 o 366.6327 10.02949 6652.149       359.5904 6608.000       506.5435 6697.000       510.5554 363.3672 14.26954 365.7999 14.28660 -2.432617      20.19225 
1 1 1 -5  16 21 o 235.9695 5.540290 2734.230       127.9660 2772.000       226.6811 2716.564       155.0315 236.5581 9.811036 234.9216 6.749027 1.636551       11.90822 
1 1 1 -5  16 22 f 240.4461 5.558677 2839.512       130.8264 2834.000       224.0227 2842.365       161.1633 239.1965 9.587639 240.2495 6.860290 -1.052933      11.78925 
1 1 1 -5  16 23 o 95.72114 3.783462 449.9126       35.37913 438.2000       70.56152 453.8459       40.89038 93.96741 7.740142 96.08764 4.358930 -2.120232      8.883134 
1 1 1 -5  16 24 o 198.9307 4.910917 1943.029       95.62481 1798.000       163.0606 2019.050       118.0561 190.4981 8.768362 202.5444 5.961215 -12.04628      10.60284 
1 1 1 -5  16 25 o 88.85585 3.830729 387.9292       33.23933 449.5000       69.95470 369.9745       37.77617 95.15572 7.573051 86.70905 4.465941 8.446671       8.791800 
1 1 1 -5  16 26 o 223.7681 4.593208 2458.840       100.6052 2388.637       139.9729 2533.864       144.6994 220.0862 6.504616 226.6773 6.528374 -6.591125      9.215732 
1 1 1 -5  16 27 o 53.18921 3.318508 139.2648       17.19110 157.7708       22.49528 113.2835       26.65415 56.54746 4.091851 47.61848 5.840682 8.928974       7.131396 
1 1 1 -5  16 28 o 86.15275 3.072819 364.4013       25.87118 379.0466       36.22358 349.1526       36.96235 87.74796 4.229890 84.17475 4.502508 3.573212       6.177746 
1 1 1 -5  16 29 f 130.7080 3.964354 839.9407       50.66156 830.0000       93.95803 844.0155       60.15513 129.1919 7.461809 130.9049 4.702370 -1.712952      8.819914 
1 1 1 -5  16 30 o 140.6083 3.394779 970.5466       46.72278 967.5931       65.73990 973.5613       66.41728 140.1015 4.800896 140.5260 4.835771 -0.4245758     6.814198 
1 1 1 -5  16 31 o 186.5034 4.021742 1710.863       73.41879 1691.099       103.1434 1731.161       104.5301 184.8725 5.706678 187.0482 5.715994 -2.175629      8.077052 
1 1 1 -5  16 32 o 118.0146 3.171885 684.5739       36.60711 716.2502       52.10244 653.6926       51.44436 120.4730 4.425895 115.0509 4.577299 5.422089       6.367120 
1 1 1 -5  16 33 o 61.25301 3.214619 184.9039       19.20615 199.9899       25.34160 164.5439       29.44003 63.57703 4.093947 57.41827 5.297904 6.158764       6.695386 
1 1 1 -5  16 34 o 68.90431 3.115995 233.8752       20.96159 252.2564       27.96730 210.3138       31.66399 71.41736 4.016933 64.99074 5.016256 6.426620       6.426397 
1 1 1 -5  16 35 o 81.92874 3.361701 331.0319       26.90160 329.4149       32.89025 334.3000       46.75842 81.56958 4.132856 81.69727 5.886644 -0.1276855     7.192571 
1 1 1 -5  16 36 o 116.5037 3.610950 669.9952       41.12849 696.6607       51.55115 623.3000       68.21811 118.5412 4.450765 111.4054 6.281305 7.135811       7.698318 
1 1 1 -5  16 37 o 80.91692 3.124055 322.9280       24.69719 335.6934       34.04321 308.7451       35.88361 82.23911 4.243430 78.74097 4.676813 3.498138       6.315004 
1 1 1 -5  16 38 o 48.15330 4.939097 116.5603       22.95025 98.36000       25.61280 190.7000       51.69432 43.86782 6.132238 60.16676 9.058375 -16.29895      10.93885 
1 1 1 -5  16 39 o 27.73181 6.167984 40.14798       16.31020 27.98717       17.35856 131.8000       47.65445 23.33631 7.025519 49.24532 10.22127 -25.90900      12.40292 
1 1 1 -5  16 40 o 14.93021 6.298016 1.815517       15.74803 5.474221       16.80715 -24.50000      45.07507 16.25355 6.649522 21.06000 9.655656 -4.806444      11.72381 
1 1 1 -5  16 41 o 63.42736 3.630527 199.8153       22.44578 204.7354       24.85883 178.1000       52.22517 64.11199 3.980917 57.42020 9.632809 6.691795       10.42299 
1 1 1 -5  16 42 o 84.73673 3.348322 355.9248       27.71720 356.9104       30.92510 351.9000       62.49483 84.72228 3.738332 81.95424 7.887833 2.768044       8.728862 
1 1 1 -5  16 43 o 28.40650 10.08685 41.06676       35.18960 13.40000       53.47382 62.20000       46.73531 26.76923 11.45953 33.60766 11.64788 -6.838436      16.33995 
1 1 1 -5  16 44 o 37.41370 7.188711 75.06267       25.36976 83.43000       29.94044 53.76000       47.77291 39.08107 8.093382 31.77023 11.68755 7.310846       14.21625 
1 1 1 -5  16 45 o 36.60266 6.166051 70.53810       21.30721 61.30005       24.37163 100.5000       43.89137 33.50948 7.605154 41.41188 10.73889 -7.902405      13.15911 
1 1 1 -5  16 46 o 23.27478 7.611476 28.35462       19.96436 14.58988       22.53655 78.54000       43.03205 19.96460 7.858229 36.36374 11.08575 -16.39914      13.58843 
1 1 1 -5  16 47 o 18.78064 7.230586 13.90129       18.74984 16.59519       20.83682 2.438000       42.98285 20.00581 7.642524 22.78816 10.00861 -2.782351      12.59287 
1 1 1 -5  16 48 o 42.92791 5.038307 95.01691       20.76800 95.01691       20.76800 0.000000       0.000000 42.92791 5.038307 ?        ?        ?              ?        
1 1 1 -5  16 49 o 30.72103 7.879875 52.92904       23.80807 44.21363       28.53617 72.89000       43.18594 28.02463 9.095508 34.56619 11.18692 -6.541561      14.41788 
1 1 1 -5  16 50 o 45.41654 6.939934 111.5420       29.87382 115.0000       40.03989 107.2000       44.86686 44.38980 9.501974 41.76956 10.87057 2.620243       14.43804 
1 1 1 -5  16 51 o 46.00776 6.029701 112.3078       26.50106 122.8252       32.37515 90.95000       46.13545 47.40060 7.204336 37.74423 11.47289 9.656368       13.54731 
1 1 1 -5  16 52 o 30.18870 8.276541 52.47269       25.18285 38.56784       30.97547 79.58000       43.24919 26.41201 9.454373 35.42927 11.16636 -9.017262      14.63122 
1 1 1 -5  16 53 o 41.38657 4.992483 89.14280       19.81660 79.21320       22.02708 131.3000       45.38653 38.46002 6.050802 46.46226 10.25478 -8.002235      11.90683 
1 1 1 -5  16 54 o 62.26023 3.736227 195.8746       22.66458 200.1483       25.29895 178.5000       51.01004 62.71291 4.144585 54.65836 9.898742 8.054558       10.73139 
1 1 1 -5  16 55 o 70.14142 3.581465 247.8866       24.50763 254.2364       27.43450 222.8000       54.53022 70.80325 3.974519 61.73758 9.313088 9.065670       10.12573 
1 1 1 -5  16 56 o 27.82458 6.930274 43.34867       18.80359 46.14745       20.61755 29.51000       45.84584 28.54340 7.338947 26.00047 10.84177 2.542934       13.09214 
1 1 1 -5  16 57 o 25.92362 7.588504 38.21654       20.48025 38.21654       20.48025 0.000000       0.000000 25.92362 7.588504 ?        ?        ?              ?        
1 1 1 -5  16 58 f 49.56025 4.475807 126.8421       21.47880 120.3552       23.62220 157.8000       51.60420 47.88853 5.118735 49.60643 10.92375 -1.717907      12.06357 
1 1 1 -5  16 59 o 19.24586 7.145138 18.06987       17.92639 24.81280       19.59592 -16.52000      44.38292 21.45526 7.535314 19.92502 9.289984 1.530237       11.96180 
1 1 1 -5  17 1  o 253.4032 7.178360 3153.760       177.8712 0.000000       0.000000 3153.760       177.8712 ?        ?        253.4032 7.178360 ?              ?        
1 1 1 -5  17 2  o 234.8567 6.737738 2708.245       154.7298 2589.000       213.1813 2841.000       224.9335 229.2510 9.520896 240.1564 9.587990 -10.90532      13.51211 
1 1 1 -5  17 3  o 259.3800 5.970702 3299.048       151.5892 3103.000       251.6320 3410.726       189.9194 250.8751 10.26883 263.4984 7.370755 -12.62335      12.64029 
1 1 1 -5  17 4  o 274.7834 7.694952 3710.364       206.7639 3321.000       271.7132 4246.000       318.6894 259.4507 10.72227 293.3354 11.11946 -33.88477      15.44699 
1 1 1 -5  17 5  o 382.7400 8.425519 7198.456       315.6507 7531.000       562.8453 7045.881       381.2469 389.5805 14.78682 378.1454 10.30972 11.43512       18.02610 
1 1 1 -5  17 6  o 187.4201 5.720237 1724.042       104.8160 1660.000       145.5661 1793.000       151.0504 183.6347 8.118468 190.8651 8.103612 -7.230347      11.47075 
1 1 1 -5  17 7  o 262.1371 5.189013 3368.604       133.1433 3010.000       249.1121 3512.007       157.5313 246.9780 10.32737 267.5828 6.014542 -20.60481      11.95112 
1 1 1 -5  17 8  o 208.6052 4.311711 2132.276       88.04021 2144.000       178.6609 2128.516       101.1776 208.6078 8.769247 208.3811 4.960436 0.2266998      10.07500 
1 1 1 -5  17 9  o 112.1598 3.081548 616.5302       33.79877 654.4000       73.58508 606.4045       38.04997 115.2837 6.547946 111.2117 3.499762 4.071983       7.424550 
1 1 1 -5  17 10 o 210.7526 4.341969 2176.690       89.57069 2016.000       173.0696 2235.477       104.6805 202.2272 8.764099 213.5330 5.008348 -11.30573      10.09420 
1 1 1 -5  17 11 o 151.7824 3.489276 1128.509       51.83974 998.1000       101.1741 1174.933       60.36595 142.3470 7.285547 154.8007 3.987259 -12.45378      8.305265 
1 1 1 -5  17 12 o 173.1435 3.775796 1468.788       63.99129 1340.000       124.8274 1514.698       74.52940 164.9118 7.754788 175.7986 4.331177 -10.88678      8.882333 
1 1 1 -5  17 13 o 143.3546 3.382123 1006.684       47.45776 919.8000       94.90759 1035.652       54.80103 136.6333 7.120978 145.3319 3.855719 -8.698593      8.097833 
1 1 1 -5  17 14 o 92.12724 2.978376 416.1292       26.82271 412.7000       60.70261 416.9612       29.90006 91.39761 6.834750 92.19955 3.318532 -0.8019333     7.597794 
1 1 1 -5  17 15 o 88.45842 3.303489 383.8661       28.55319 0.000000       0.000000 383.8661       28.55319 ?        ?        88.45842 3.303489 ?              ?        
1 1 1 -5  17 16 o 206.7882 4.979183 2097.631       100.7837 1996.000       172.1493 2150.629       124.3148 201.0439 8.769079 209.1790 6.077981 -8.135132      10.66952 
1 1 1 -5  17 17 o 71.64000 4.300134 252.5367       30.01512 323.1000       55.12445 222.8000       35.78501 80.75340 7.044365 67.15012 5.492318 13.60329       8.932448 
1 1 1 -5  17 18 o 105.4327 3.489105 545.3066       35.95813 590.5185       47.17244 482.6000       55.55444 109.6480 4.404189 98.96799 5.759683 10.68002       7.250574 
1 1 1 -5  17 19 o 169.0643 4.402343 1402.716       72.79009 1381.961       87.60365 1449.000       130.8191 167.6991 5.343673 171.3329 7.821156 -3.633820      9.472345 
1 1 1 -5  17 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  17 21 o 199.0956 5.942553 1949.772       115.6790 0.000000       0.000000 1949.772       115.6790 ?        ?        199.0956 5.942553 ?              ?        
1 1 1 -5  17 22 o 257.9952 5.980082 3272.313       151.0167 3071.000       254.5434 3381.662       187.6001 248.5665 10.48551 261.8760 7.325853 -13.30948      12.79117 
1 1 1 -5  17 23 o 123.4863 3.891163 748.5772       46.97448 662.9000       85.29582 785.8753       56.27794 115.6889 7.573987 126.4583 4.554014 -10.76933      8.837665 
1 1 1 -5  17 24 o 112.4479 3.121231 620.1895       34.32125 561.9255       46.86608 687.5760       50.40169 106.9029 4.488803 118.2858 4.360641 -11.38290      6.258158 
1 1 1 -5  17 25 o 228.7402 5.427852 2572.940       121.5281 2558.000       213.8159 2580.071       147.7064 226.7158 9.657125 228.7027 6.605062 -1.986847      11.69987 
1 1 1 -5  17 26 o 235.1673 4.775257 2717.677       109.9208 2820.301       159.4332 2624.701       151.7540 238.9666 6.823075 230.5521 6.731786 8.414490       9.584951 
1 1 1 -5  17 27 o 153.0944 3.560206 1150.013       53.35077 1208.310       77.84892 1098.388       73.25887 156.6384 5.084214 149.3481 5.018475 7.290314       7.143831 
1 1 1 -5  17 28 f 124.7813 3.856405 765.3912       47.04536 804.8000       90.67599 750.8757       55.03167 127.2449 7.311016 123.4831 4.560849 3.761772       8.616978 
1 1 1 -5  17 29 o 100.1591 3.005372 492.5819       29.43087 496.0569       41.64544 489.1149       41.59768 100.3489 4.249452 99.63909 4.275084 0.7098083      6.027784 
1 1 1 -5  17 30 o 66.31303 2.961719 216.2244       19.17572 187.9632       25.86047 250.7426       28.58017 61.64776 4.312817 71.27483 4.114070 -9.627075      5.960366 
1 1 1 -5  17 31 o 114.0433 3.138964 639.2370       35.00654 646.2350       49.47761 632.2225       49.53588 114.4277 4.425792 113.1666 4.480792 1.261093       6.298026 
1 1 1 -5  17 32 o 45.87480 3.391216 104.0340       15.12009 115.9540       19.68554 86.88442       23.61214 48.32340 4.203609 41.42392 5.997738 6.899479       7.324151 
1 1 1 -5  17 33 f 107.1687 3.644227 566.1414       38.17221 540.8356       44.26923 639.5000       75.37333 104.5880 4.333669 112.9132 6.851976 -8.325165      8.107420 
1 1 1 -5  17 34 o 100.8665 4.271598 503.5488       42.07841 503.5488       42.07841 0.000000       0.000000 100.8665 4.271598 ?        ?        ?              ?        
1 1 1 -5  17 35 o 69.67599 3.016634 239.2971       20.52493 242.9167       22.14227 217.2000       54.70877 70.16521 3.232680 64.63251 8.882350 5.532692       9.452320 
1 1 1 -5  17 36 f 118.2764 3.225537 689.6702       37.30790 709.4570       42.34312 621.0000       78.88212 119.8517 3.613505 110.5596 7.330531 9.292107       8.172766 
1 1 1 -5  17 37 f 80.40106 4.054977 320.7607       31.80915 285.7000       36.71016 426.4000       63.72195 75.59901 4.988826 91.47255 7.174287 -15.87354      8.738351 
1 1 1 -5  17 38 o 39.46407 3.908078 77.81095       14.89828 74.95094       15.62325 106.5000       49.48184 38.66440 4.195292 43.77010 11.42822 -5.105698      12.17393 
1 1 1 -5  17 39 o 74.80923 3.137085 276.5365       22.92043 275.5852       24.83583 282.0000       59.51917 74.61584 3.409500 73.44071 8.432488 1.175125       9.095689 
1 1 1 -5  17 40 o 15.99380 6.021574 9.770016       12.82276 4.438779       13.32017 77.18000       47.36502 14.54118 5.930804 37.28993 11.67624 -22.74875      13.09615 
1 1 1 -5  17 41 o 57.66481 3.448156 165.2093       19.37385 157.5613       20.68184 220.0000       55.35668 56.22441 3.779977 64.01900 9.089108 -7.794594      9.843785 
1 1 1 -5  17 42 o 93.52430 3.175049 433.3483       29.02358 427.9128       32.07590 457.9000       68.17036 92.79923 3.537727 93.60326 7.503229 -0.8040237     8.295418 
1 1 1 -5  17 43 o 79.45301 3.189937 313.3745       24.75796 312.2302       27.15951 319.0000       60.21912 79.18929 3.512622 77.32341 8.075313 1.865883       8.806201 
1 1 1 -5  17 44 o 43.71202 3.946294 96.18906       16.70317 104.3322       17.98394 45.05000       45.06761 45.49523 4.081766 29.86707 11.27920 15.62816       11.99505 
1 1 1 -5  17 45 o 53.50168 3.768663 143.6290       19.60981 149.5998       21.53230 114.6000       47.47765 54.49913 4.065698 43.88430 11.05883 10.61483       11.78252 
1 1 1 -5  17 46 o 40.72290 4.341321 84.32377       17.03830 94.57967       18.47975 26.17000       44.00461 43.11558 4.442316 26.30038 10.75962 16.81520       11.64060 
1 1 1 -5  17 47 o 63.94868 3.703440 205.1107       23.08241 205.1107       23.08241 0.000000       0.000000 63.94868 3.703440 ?        ?        ?              ?        
1 1 1 -5  17 48 o 36.55160 4.819263 68.94365       16.82254 58.27673       18.14545 134.2000       44.88070 33.18003 5.798011 48.00371 9.881175 -14.82368      11.45664 
1 1 1 -5  17 49 o 44.84652 4.404379 102.6467       19.08478 113.1450       21.14197 56.44000       44.35455 46.99215 4.657574 31.14552 11.29202 15.84663       12.21486 
1 1 1 -5  17 50 o 28.92358 5.974094 45.08055       16.35323 49.76139       17.77013 19.19000       41.79259 30.32957 6.195358 24.32935 10.26118 6.000219       11.98642 
1 1 1 -5  17 51 o 40.26674 5.276304 84.92090       20.29629 86.13937       22.89008 80.44000       43.89587 40.18761 6.002720 35.56044 11.25495 4.627171       12.75565 
1 1 1 -5  17 52 o 25.10402 7.095344 35.02207       18.20445 22.13522       20.09209 94.10000       43.01939 21.08524 7.606098 38.68711 10.89789 -17.60187      13.28972 
1 1 1 -5  17 53 o 28.16264 6.858245 44.08942       18.72700 36.69519       20.77096 76.21000       43.29141 25.53245 7.684755 34.54814 11.20213 -9.015696      13.58467 
1 1 1 -5  17 54 o 54.62835 4.388497 152.8313       23.26879 159.8873       26.45281 128.7000       48.91982 55.57593 4.913272 44.97169 11.16498 10.60424       12.19824 
1 1 1 -5  17 55 o 27.48059 6.822498 42.08158       18.26655 46.93479       20.00757 17.78000       44.77103 28.91388 7.117884 24.30222 10.44595 4.611662       12.64050 
1 1 1 -5  17 56 o 43.98827 5.709887 102.8321       24.00545 102.8321       24.00545 0.000000       0.000000 43.98827 5.709887 ?        ?        ?              ?        
1 1 1 -5  17 57 o 23.25267 7.423181 30.17012       19.06046 26.89945       21.03610 45.17000       45.04958 22.35915 7.810638 28.10969 11.09609 -5.750532      13.56942 
1 1 1 -5  17 58 o 42.19020 6.138223 96.68640       24.60609 108.4000       29.01538 66.69000       46.43202 44.13104 6.946385 31.59010 11.53846 12.54094       13.46805 
1 1 1 -5  17 59 o 16.11838 6.849548 4.726286       18.85719 0.5470937      20.89939 23.03000       43.73780 15.96265 6.995846 24.17843 10.35748 -8.215779      12.49877 
1 1 1 -5  18 1  o 205.9258 4.993850 2078.718       100.6590 1888.000       164.9024 2191.984       127.0816 195.7532 8.627401 211.2852 6.151344 -15.53198      10.59581 
1 1 1 -5  18 2  o 410.4394 9.004690 8288.137       361.7628 7753.000       597.9417 8597.120       454.3531 394.6494 15.50914 417.2975 11.13345 -22.64819      19.09154 
1 1 1 -5  18 3  o 532.9160 10.00068 13990.94       521.6684 13470.00       1015.526 14177.68       608.0234 517.4265 20.08918 535.8583 11.59215 -18.43182      23.19382 
1 1 1 -5  18 4  o 331.0531 6.378949 5378.413       206.7060 5098.000       399.0027 5481.278       241.6635 320.7644 12.73348 334.0484 7.390867 -13.28403      14.72299 
1 1 1 -5  18 5  o 251.7731 5.793578 3109.517       142.7784 3171.000       251.5079 3080.280       173.4341 253.4485 10.15866 250.3454 7.084769 3.103119       12.38516 
1 1 1 -5  18 6  o 99.45320 4.548187 485.7889       44.15828 466.9000       62.93996 504.1000       61.96981 97.29701 6.648726 101.1550 6.289855 -3.857986      9.152476 
1 1 1 -5  18 7  o 128.1247 3.259567 804.5547       40.84568 940.2000       90.42664 769.7844       45.78240 138.2176 6.703845 125.2953 3.737172 12.92226       7.675154 
1 1 1 -5  18 8  o 290.1780 5.669323 4130.835       161.0282 3651.000       298.2003 4328.351       191.3210 271.6351 11.23971 296.9116 6.583083 -25.27649      13.02567 
1 1 1 -5  18 9  o 163.7847 4.189377 1315.488       67.10770 0.000000       0.000000 1315.488       67.10770 ?        ?        163.7847 4.189377 ?              ?        
1 1 1 -5  18 10 o 26.60733 5.250735 35.93659       13.18922 75.24000       40.84922 31.36240       13.93559 38.43983 10.54215 24.78636 5.840383 13.65347       12.05185 
1 1 1 -5  18 11 o 298.0251 5.796253 4358.896       169.0855 4222.000       332.4004 4406.684       196.3928 291.8645 11.65866 299.5162 6.698832 -7.651642      13.44615 
1 1 1 -5  18 12 o 187.1626 3.990632 1716.766       73.10837 1513.000       139.2413 1794.318       85.90145 175.1388 8.144612 191.3012 4.587506 -16.16241      9.347723 
1 1 1 -5  18 13 f 165.5034 3.679550 1342.214       59.60847 1287.000       120.0230 1360.292       68.67688 161.5638 7.610913 166.5293 4.216608 -4.965500      8.700907 
1 1 1 -5  18 14 o 34.32881 4.373709 58.70957       14.36327 21.97000       41.37381 63.74414       15.31581 27.27272 10.67349 35.77985 4.470434 -8.507130      11.57187 
1 1 1 -5  18 15 o 260.9330 5.184889 3341.035       132.4265 3048.000       251.8591 3453.002       155.6839 248.0310 10.39704 265.1510 5.998524 -17.12001      12.00337 
1 1 1 -5  18 16 o 38.67641 4.749903 74.47469       17.60481 43.19000       46.21608 79.78468       19.04033 32.10197 11.54144 40.02119 4.967020 -7.919224      12.56488 
1 1 1 -5  18 17 o 113.5153 4.139505 632.6274       45.91781 0.000000       0.000000 632.6274       45.91781 ?        ?        113.5153 4.139505 ?              ?        
1 1 1 -5  18 18 o 163.8594 3.688436 1316.045       59.15887 1455.000       130.1120 1279.832       66.42165 171.6804 7.762742 161.4986 4.205370 10.18181       8.828664 
1 1 1 -5  18 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  18 20 o 135.4827 7.189676 906.5000       95.00399 0.000000       0.000000 906.5000       95.00399 ?        ?        135.4827 7.189676 ?              ?        
1 1 1 -5  18 21 o 117.6650 5.049857 681.0975       58.02572 663.9000       83.44413 697.2000       80.74400 115.8242 7.398898 118.7763 6.975743 -2.952042      10.16881 
1 1 1 -5  18 22 o 242.8726 7.087505 2909.563       168.3114 2860.000       236.9946 2960.000       239.0755 239.8266 10.11840 244.0234 10.03054 -4.196762      14.24758 
1 1 1 -5  18 23 f 168.1646 5.624366 1392.161       92.44915 1264.000       126.3175 1540.000       135.6685 159.7184 8.106338 176.3930 7.877502 -16.67453      11.30344 
1 1 1 -5  18 24 o 262.6894 7.557485 3412.026       194.1218 3407.000       275.2417 3417.000       273.8233 261.1190 10.79211 261.5388 10.71888 -0.4197998     15.21065 
1 1 1 -5  18 25 o 320.0906 8.955256 5092.098       280.3045 5226.000       404.1646 4968.000       389.0862 321.6878 12.86157 313.7595 12.69523 7.928284       18.07176 
1 1 1 -5  18 26 o 138.6599 5.279164 947.7300       71.52011 934.4000       102.8737 960.2000       99.50007 137.1316 7.694956 139.1128 7.333082 -1.981232      10.62951 
1 1 1 -5  18 27 o 133.2811 5.219556 876.3115       67.96225 873.5000       98.16082 878.9000       94.18848 132.4831 7.601484 132.9888 7.263201 -0.5057526     10.51364 
1 1 1 -5  18 28 f 100.9955 5.207674 504.1386       51.30775 487.0000       74.00632 520.0000       71.19553 98.68030 7.723310 102.1361 7.166922 -3.455795      10.53633 
1 1 1 -5  18 29 o 121.6396 5.136836 731.3622       61.02365 740.5000       89.42924 723.4000       83.47868 121.7105 7.543711 120.4318 7.113229 1.278748       10.36849 
1 1 1 -5  18 30 o 128.3910 5.164114 815.7366       64.76636 727.9000       89.90411 910.5000       93.38177 120.4665 7.664166 135.0104 7.091105 -14.54392      10.44142 
1 1 1 -5  18 31 o 100.6148 5.205946 502.1982       51.09619 487.1000       75.43179 515.0000       69.45901 98.22786 7.912261 101.3333 7.046673 -3.105476      10.59526 
1 1 1 -5  18 32 o 58.20469 6.714019 171.2853       37.55116 117.1000       55.18769 218.0000       51.24224 46.54573 12.02740 65.28775 8.198787 -18.74202      14.55605 
1 1 1 -5  18 33 o 106.5062 7.617785 574.5000       78.89193 574.5000       78.89193 0.000000       0.000000 106.5062 7.617785 ?        ?        ?              ?        
1 1 1 -5  18 34 o 52.50010 7.413005 141.6453       37.03553 126.5000       55.76140 153.6000       49.54095 48.00564 11.92131 53.84584 9.758761 -5.840202      15.40620 
1 1 1 -5  18 35 o 79.83112 5.634124 319.6337       43.74276 290.7000       64.98800 343.6000       59.14695 74.69210 9.074972 82.06396 7.444227 -7.371864      11.73762 
1 1 1 -5  18 36 o 81.63445 7.779195 342.4000       61.40985 0.000000       0.000000 342.4000       61.40985 ?        ?        81.63445 7.779195 ?              ?        
1 1 1 -5  18 37 o 92.83920 5.497046 432.6805       49.73001 376.5000       71.06229 486.6000       69.61767 85.01134 8.660789 97.53632 7.345993 -12.52499      11.35662 
1 1 1 -5  18 38 o 23.07236 9.605192 10.29521       35.89933 14.93000       53.80722 6.577000       48.19396 27.66963 11.65505 25.42916 10.88232 2.240473       15.94569 
1 1 1 -5  18 39 o 28.24119 10.22261 37.83796       36.33216 37.45000       56.59070 38.11000       47.38828 31.07658 12.38200 29.85461 11.49479 1.221972       16.89509 
1 1 1 -5  18 40 o 30.87672 10.41455 50.11848       37.30762 20.67000       56.36433 73.08000       49.77063 28.54746 11.97084 36.28631 12.02523 -7.738848      16.96783 
1 1 1 -5  18 41 o 21.83729 4.736193 24.77957       9.831596 20.39004       10.03439 130.1000       49.15162 19.76791 5.138973 47.90807 10.74674 -28.14016      11.91224 
1 1 1 -5  18 42 f 18.50972 5.192850 17.81745       9.788514 14.81450       10.00662 84.46000       47.13996 17.13347 5.367123 37.98938 11.60704 -20.85590      12.78786 
1 1 1 -5  18 43 o 22.76625 4.937144 27.13170       10.68459 26.28045       11.00648 41.05000       44.50558 22.36043 5.136944 29.11614 11.15778 -6.755711      12.28349 
1 1 1 -5  18 44 f 31.48332 4.035460 50.37599       12.15038 51.65778       12.66953 35.69000       42.88493 31.85032 4.163454 27.84292 10.87540 4.007406       11.64511 
1 1 1 -5  18 45 o 65.85195 2.985223 215.4804       19.19203 216.7873       20.72241 207.6000       50.88565 65.97128 3.218786 61.33882 8.720704 4.632454       9.295766 
1 1 1 -5  18 46 o 41.41577 3.846352 86.56449       15.41450 86.56449       15.41450 0.000000       0.000000 41.41577 3.846352 ?        ?        ?              ?        
1 1 1 -5  18 47 o 31.26792 4.297945 50.14373       12.80658 56.10081       13.38859 -13.94000      43.91291 33.12591 4.225191 20.97513 9.584172 12.15078       10.47419 
1 1 1 -5  18 48 o 38.81482 4.006226 76.53083       15.00242 70.81705       15.83209 126.8000       46.95993 37.16888 4.439305 45.86217 10.66343 -8.693291      11.55059 
1 1 1 -5  18 49 o 30.66753 4.549040 48.70118       13.24212 45.69901       13.90645 77.89000       43.36182 29.53040 4.988572 35.33812 11.18649 -5.807718      12.24840 
1 1 1 -5  18 50 o 40.96614 3.812485 85.14130       15.11212 87.76616       16.12527 66.20000       43.31710 41.51805 4.018091 32.66012 11.21844 8.857929       11.91631 
1 1 1 -5  18 51 o 56.01032 3.345414 157.5408       18.25747 174.0020       19.88996 69.43000       46.01690 58.81715 3.470227 33.10694 11.55302 25.71021       12.06295 
1 1 1 -5  18 52 o 14.96267 5.814674 8.281605       12.20965 6.951774       12.74787 23.04000       42.46773 14.73687 5.875074 24.77191 10.38946 -10.03503      11.93555 
1 1 1 -5  18 53 o 47.46029 3.644346 113.9532       16.80043 119.8311       18.01058 74.57000       46.61986 48.59992 3.816648 33.88783 11.63834 14.71209       12.24817 
1 1 1 -5  18 54 o 32.07954 4.835048 53.86603       14.71096 58.43622       15.58330 16.44000       44.59427 33.40294 4.912788 24.09992 10.39279 9.303019       11.49546 
1 1 1 -5  18 55 o 59.99495 10.03268 217.7000       56.83790 217.7000       56.83790 0.000000       0.000000 59.99495 10.03268 ?        ?        ?              ?        
1 1 1 -5  18 56 o 55.61337 6.696918 168.3673       35.72243 131.0000       49.97737 207.4000       51.07893 44.79822 11.37765 59.48253 9.058580 -14.68431      14.54334 
1 1 1 -5  18 57 o 35.10460 11.47112 83.41000       45.34915 0.000000       0.000000 83.41000       45.34915 ?        ?        35.10460 11.47112 ?              ?        
1 1 1 -5  18 58 o 31.43361 9.670520 62.58123       32.65134 58.36000       46.46225 66.70000       45.89490 29.83976 11.40905 31.34602 11.46802 -1.506264      16.17658 
1 1 1 -5  19 1  o 136.6090 4.946344 916.2142       66.03167 0.000000       0.000000 916.2142       66.03167 ?        ?        136.6090 4.946344 ?              ?        
1 1 1 -5  19 2  o 188.7332 5.825985 1749.416       107.4988 1679.000       147.5829 1829.000       156.8968 184.5748 8.189170 192.6342 8.340743 -8.059387      11.68890 
1 1 1 -5  19 3  o 381.0214 8.405366 7143.334       313.4817 6884.000       529.1865 7283.541       389.1013 371.7850 14.56976 384.0746 10.35947 -12.28958      17.87726 
1 1 1 -5  19 4  o 372.6685 7.115502 6823.545       259.5580 6742.000       515.0264 6851.308       300.5114 367.9962 14.32552 373.1820 8.226857 -5.185852      16.51974 
1 1 1 -5  19 5  o 177.4358 4.521690 1544.303       78.46830 1573.000       137.6182 1530.479       95.51669 178.6722 7.888323 176.5406 5.534330 2.131546       9.636101 
1 1 1 -5  19 6  o 219.5024 6.416717 2367.783       137.7184 2250.000       189.3729 2500.000       200.6418 213.5255 9.081442 225.0866 9.125714 -11.56113      12.87444 
1 1 1 -5  19 7  o 174.3723 4.405980 1491.391       75.14119 1616.000       138.2925 1439.192       89.50638 181.0957 7.820044 171.2012 5.347783 9.894409       9.473746 
1 1 1 -5  19 8  o 74.39806 3.510969 271.7764       25.49575 0.000000       0.000000 271.7764       25.49575 ?        ?        74.39806 3.510969 ?              ?        
1 1 1 -5  19 9  o 221.0325 4.522937 2395.316       97.85497 2453.000       200.3549 2377.245       112.1399 222.8697 9.204035 220.1336 5.204362 2.736130       10.57353 
1 1 1 -5  19 10 o 99.76904 3.457697 488.2662       33.71569 0.000000       0.000000 488.2662       33.71569 ?        ?        99.76904 3.457697 ?              ?        
1 1 1 -5  19 11 o 76.89893 3.979756 290.6120       29.85402 318.9000       54.51143 278.4922       35.68079 80.23637 7.011171 75.19422 4.874050 5.042145       8.538904 
1 1 1 -5  19 12 f 278.9749 5.489535 3820.075       149.9018 3284.000       273.6700 4049.850       179.1703 257.3425 10.88910 287.0967 6.375754 -29.75421      12.61835 
1 1 1 -5  19 13 o 105.3841 3.108809 544.5300       32.03320 515.5000       68.54916 552.6404       36.23265 102.1590 6.895586 106.1414 3.492213 -3.982414      7.729467 
1 1 1 -5  19 14 o 103.5393 3.055504 525.6328       30.93277 603.9000       71.34846 507.5163       34.32658 110.6367 6.618643 101.7115 3.452902 8.925179       7.465183 
1 1 1 -5  19 15 o 172.0744 4.366889 1453.021       73.49260 1299.000       124.9526 1534.482       90.87276 162.1889 7.894498 176.7302 5.258962 -14.54134      9.485767 
1 1 1 -5  19 16 o 238.3808 4.812168 2788.248       112.2841 2861.000       231.3104 2765.820       128.4307 240.2955 9.855209 237.3230 5.528698 2.972534       11.30007 
1 1 1 -5  19 17 o 203.6358 6.200592 2040.272       123.4489 2325.000       189.1502 1829.000       162.9346 216.7915 8.932843 192.2985 8.678642 24.49294       12.45450 
1 1 1 -5  19 18 o 159.0055 5.142739 1242.609       79.93578 0.000000       0.000000 1242.609       79.93578 ?        ?        159.0055 5.142739 ?              ?        
1 1 1 -5  19 19 o 161.3106 5.204903 1279.251       82.07539 0.000000       0.000000 1279.251       82.07539 ?        ?        161.3106 5.204903 ?              ?        
1 1 1 -5  19 20 o 261.0207 7.490040 3362.891       191.1684 3225.000       264.3748 3514.000       276.7558 254.5162 10.63547 265.6816 10.66381 -11.16541      15.06087 
1 1 1 -5  19 21 o 144.5185 5.275724 1027.625       74.50449 1038.000       107.4007 1018.000       103.4413 144.8362 7.602340 143.4734 7.390649 1.362793       10.60270 
1 1 1 -5  19 22 o 189.9372 5.998858 1777.452       111.3884 1721.000       156.1113 1836.000       158.9819 186.2430 8.586545 192.4145 8.461884 -6.171448      12.05538 
1 1 1 -5  19 23 o 79.60853 5.561775 313.3212       43.06643 317.1000       63.48641 310.1000       58.61508 79.61156 8.267247 78.83445 7.693842 0.7771072      11.29348 
1 1 1 -5  19 24 o 140.8944 5.309355 978.1439       73.09103 1011.000       107.0991 949.5000       99.99848 142.7209 7.694860 138.3702 7.410230 4.350769       10.68281 
1 1 1 -5  19 25 o 163.3143 5.580056 1315.565       89.06981 1200.000       122.1022 1447.000       130.2164 155.3067 8.059638 170.6606 7.815936 -15.35388      11.22705 
1 1 1 -5  19 26 f 220.4111 6.635264 2405.379       142.9892 2535.000       209.8300 2293.000       195.3771 224.8977 9.553596 213.9812 9.350645 10.91649       13.36809 
1 1 1 -5  19 27 o 127.0787 5.126036 797.3570       63.63097 825.8000       92.78221 772.1000       87.43152 128.7254 7.394789 124.5134 7.204508 4.211975       10.32414 
1 1 1 -5  19 28 o 116.3480 5.107954 669.2609       58.02997 683.8000       84.35695 656.2000       79.95353 116.9646 7.406213 114.6489 7.160362 2.315659       10.30159 
1 1 1 -5  19 29 o 111.1727 5.134227 611.9514       55.71925 623.2000       82.22532 602.4000       75.76801 111.4409 7.583152 109.7272 7.092480 1.713692       10.38304 
1 1 1 -5  19 30 o 59.91561 6.586186 180.8522       37.98987 170.6000       57.28667 188.9000       50.75580 56.90930 10.67611 60.59609 8.815590 -3.686790      13.84536 
1 1 1 -5  19 31 o 185.3909 5.981106 1711.398       108.3945 1716.000       155.0534 1707.000       151.5913 183.9463 8.635711 183.5925 8.458269 0.3537598      12.08792 
1 1 1 -5  19 32 o 28.18255 11.40220 22.11000       48.77077 22.11000       48.77077 0.000000       0.000000 28.18255 11.40220 ?        ?        ?              ?        
1 1 1 -5  19 33 o 114.4192 5.142469 651.8708       57.44677 648.7000       83.65837 654.7000       79.02361 113.0046 7.607556 113.7788 7.131466 -0.7742386     10.42750 
1 1 1 -5  19 34 o 69.66975 8.209428 250.6000       54.91036 0.000000       0.000000 250.6000       54.91036 ?        ?        69.66975 8.209428 ?              ?        
1 1 1 -5  19 35 o 68.82542 8.370449 246.0000       55.23209 0.000000       0.000000 246.0000       55.23209 ?        ?        68.82542 8.370449 ?              ?        
1 1 1 -5  19 36 o 47.15148 8.451804 117.4884       37.57486 91.86000       56.58735 137.7000       50.25265 40.63801 12.76787 50.22211 10.55818 -9.584103      16.56785 
1 1 1 -5  19 37 o 55.31618 7.395493 158.5474       39.04055 148.9000       59.13721 166.0000       51.97665 51.46198 11.96706 55.46336 9.939132 -4.001381      15.55625 
1 1 1 -5  19 38 f 62.45893 6.839554 200.6138       41.13172 192.7000       61.81985 206.9000       55.09696 59.00157 11.11187 62.20955 9.336113 -3.207973      14.51332 
1 1 1 -5  19 39 o 68.10930 6.551171 238.0418       43.13678 306.1000       65.96720 187.2000       57.01624 75.80580 9.070180 58.34908 10.36254 17.45672       13.77136 
1 1 1 -5  19 40 o 74.69360 6.004175 285.0516       43.52830 308.0000       66.01505 267.4000       57.89730 75.69373 9.091742 70.85985 8.518000 4.833885       12.45858 
1 1 1 -5  19 41 o 26.36315 9.969765 31.62255       35.23906 12.15000       53.12722 46.92000       47.08854 26.47596 11.37968 30.70043 11.54338 -4.224470      16.20947 
1 1 1 -5  19 42 o 51.78851 7.551645 143.3690       37.15464 232.3000       57.94319 81.27000       48.41926 64.76520 9.415771 37.01851 11.83275 27.74669       15.12186 
1 1 1 -5  19 43 o 60.24832 6.527529 190.0079       37.88041 146.7000       56.27012 225.9000       51.22638 49.35472 11.80657 64.52173 8.303414 -15.16701      14.43405 
1 1 1 -5  19 44 o 38.14238 9.164740 82.72969       33.78873 67.43000       51.04696 94.66000       45.07694 33.95554 12.13896 39.70867 11.14480 -5.753124      16.47911 
1 1 1 -5  19 45 o 26.13098 11.06256 20.05000       48.87550 20.05000       48.87550 0.000000       0.000000 26.13098 11.06256 ?        ?        ?              ?        
1 1 1 -5  19 46 o 74.31808 5.638126 285.8567       40.70831 305.1000       60.25723 269.7000       55.21336 74.40982 8.421019 70.12614 8.198269 4.283676       11.75267 
1 1 1 -5  19 47 o 19.94038 9.296048 -25.05000      44.41991 0.000000       0.000000 -25.05000      44.41991 ?        ?        19.94038 9.296048 ?              ?        
1 1 1 -5  19 48 o 44.94363 8.212151 113.3154       34.79612 92.05000       49.49287 134.1000       48.93023 37.87886 11.94612 46.82940 10.88242 -8.950535      16.15973 
1 1 1 -5  19 49 o 23.30774 9.255425 23.63910       31.51670 11.65000       49.06625 32.06000       41.12151 24.45364 10.71814 26.15587 10.50953 -1.702238      15.01095 
1 1 1 -5  19 50 f 27.75304 9.674757 44.32730       32.26596 63.96000       50.83313 31.08000       41.75616 32.02055 12.00329 25.96369 10.53369 6.056852       15.96990 
1 1 1 -5  19 51 o 43.99465 8.268895 110.1033       34.30157 63.46000       49.58777 152.9000       47.49910 31.94678 11.87927 50.53724 9.956443 -18.59046      15.49993 
1 1 1 -5  19 52 o 23.09696 9.170225 23.67635       30.93430 -27.59000      43.42610 76.49000       44.07656 19.16074 9.015179 34.48110 11.31149 -15.32036      14.46455 
1 1 1 -5  19 53 o 65.63522 6.139190 229.3524       38.98393 212.9000       55.83604 245.0000       54.45316 59.63070 9.914157 65.30960 8.737020 -5.678905      13.21461 
1 1 1 -5  19 54 o 32.41188 11.73392 67.94000       47.87110 67.94000       47.87110 0.000000       0.000000 32.41188 11.73392 ?        ?        ?              ?        
1 1 1 -5  19 55 o 25.56158 9.512647 35.79351       31.81011 42.87000       45.89320 29.25000       44.13109 27.93549 11.14383 25.66957 10.66498 2.265921       15.42488 
1 1 1 -5  19 56 o 25.22260 10.60426 27.28000       44.40945 0.000000       0.000000 27.28000       44.40945 ?        ?        25.22260 10.60426 ?              ?        
1 1 1 -5  19 57 o 22.36246 9.061832 22.12405       30.86001 37.80000       44.33155 7.386000       42.98490 26.52488 10.81925 22.19650 9.866150 4.328373       14.64230 
1 1 1 -5  19 58 o 27.63043 9.568851 47.29683       31.53802 38.23000       45.26617 55.85000       43.96526 26.40284 10.86926 29.25151 11.11890 -2.848677      15.54898 
1 1 1 -5  20 1  o 323.3784 6.259855 5135.218       198.1443 5064.000       392.5216 5159.572       229.5363 319.2647 12.58514 323.9611 7.238564 -4.696381      14.51835 
1 1 1 -5  20 2  o 372.8403 8.236838 6843.246       300.6004 0.000000       0.000000 6843.246       300.6004 ?        ?        372.8403 8.236838 ?              ?        
1 1 1 -5  20 3  o 127.0966 4.919790 793.4271       61.08938 777.5000       84.57681 810.8000       88.33236 125.5923 6.906488 128.2408 7.064290 -2.648514      9.879462 
1 1 1 -5  20 4  o 291.9592 6.617059 4187.980       189.1008 4099.000       322.9966 4234.384       233.2553 287.4975 11.50098 293.1713 8.136245 -5.673859      14.08798 
1 1 1 -5  20 5  o 147.1457 4.132311 1062.139       59.45887 1068.000       103.4439 1059.247       72.66158 147.2051 7.201047 146.8598 5.062274 0.3453217      8.802369 
1 1 1 -5  20 6  o 276.2072 5.445127 3743.927       147.2141 3843.000       300.0002 3712.503       168.9550 278.4567 11.02853 274.9227 6.278476 3.534027       12.69046 
1 1 1 -5  20 7  o 166.6695 4.314494 1362.803       70.32776 1260.000       118.6838 1418.435       87.30693 159.8426 7.607481 169.9420 5.254895 -10.09935      9.245955 
1 1 1 -5  20 8  o 124.9449 3.739361 765.7365       45.68074 747.3000       81.81413 774.0876       55.06311 123.1104 6.815941 125.5639 4.487336 -2.453545      8.160468 
1 1 1 -5  20 9  o 119.7680 3.247362 703.2775       38.03442 729.8000       80.00075 695.5319       43.23294 121.6571 6.744556 119.0736 3.713849 2.583481       7.699462 
1 1 1 -5  20 10 o 167.1541 3.764146 1369.395       61.58709 1382.000       125.7619 1365.419       70.63676 167.3696 7.697165 166.8171 4.329636 0.5524750      8.831313 
1 1 1 -5  20 11 o 114.5308 3.224706 643.1764       36.11486 648.5000       76.53638 641.6516       40.96186 114.6314 6.852434 114.3638 3.663917 0.2676163      7.770466 
1 1 1 -5  20 12 o 70.32507 3.265274 242.8392       22.41552 200.2000       51.20819 252.9458       24.93092 63.16323 8.498049 71.75504 3.560726 -8.591801      9.213881 
1 1 1 -5  20 13 o 110.5181 3.190937 598.9441       34.48281 558.6000       71.87328 611.0073       39.30144 106.3320 6.943515 111.5969 3.602629 -5.264885      7.822490 
1 1 1 -5  20 14 o 98.53630 3.471594 476.4236       33.43123 612.4000       71.19271 437.9567       37.86586 111.4020 6.557849 94.41872 4.106989 16.98333       7.737748 
1 1 1 -5  20 15 o 144.9442 3.460085 1029.626       49.09009 1120.000       107.4704 1005.799       55.18340 150.6369 7.310552 143.1738 3.941412 7.463043       8.305354 
1 1 1 -5  20 16 o 305.8871 6.922124 4605.989       207.2558 4880.000       373.8175 4484.376       249.0367 312.7092 12.23635 301.2782 8.453158 11.43100       14.87226 
1 1 1 -5  20 17 o 107.1469 4.644358 564.4744       48.59359 0.000000       0.000000 564.4744       48.59359 ?        ?        107.1469 4.644358 ?              ?        
1 1 1 -5  20 18 o 196.2863 4.176729 1890.138       80.24767 1868.000       165.6708 1896.925       91.72656 194.1623 8.739558 196.5673 4.767355 -2.405075      9.955277 
1 1 1 -5  20 19 o 151.4455 4.219283 1126.228       62.48529 1047.000       110.4196 1163.552       75.78740 145.4320 7.785126 153.8289 5.040106 -8.396835      9.274203 
1 1 1 -5  20 20 o 218.8759 6.564415 2362.240       140.4782 2470.000       205.0908 2267.000       192.8099 222.9443 9.419398 213.6309 9.242467 9.313446       13.19652 
1 1 1 -5  20 21 o 254.9767 7.377911 3213.500       183.9430 3190.000       260.1347 3237.000       260.1347 252.7523 10.53782 254.6483 10.45867 -1.895920      14.84686 
1 1 1 -5  20 22 o 195.6605 6.117067 1888.231       117.0089 1941.000       169.3239 1840.000       161.8781 197.5754 8.777377 192.4114 8.616965 5.163986       12.30018 
1 1 1 -5  20 23 o 144.9559 5.330724 1035.643       75.50715 1054.000       109.4993 1019.000       104.2597 145.6836 7.706230 143.3037 7.458479 2.379913       10.72450 
1 1 1 -5  20 24 o 89.52290 5.348151 396.1588       46.65087 409.4000       69.32451 385.2000       63.06712 90.49115 7.905938 87.87235 7.401104 2.618797       10.82960 
1 1 1 -5  20 25 o 123.1049 5.164009 748.0479       62.08735 739.3000       90.58095 755.8000       85.26915 121.7707 7.638023 123.2810 7.096247 -1.510292      10.42574 
1 1 1 -5  20 26 o 193.2662 6.094740 1849.461       115.1527 1906.000       166.8195 1798.000       159.1519 195.0066 8.761974 189.4705 8.603970 5.536133       12.28008 
1 1 1 -5  20 27 f 117.8470 5.149697 686.8920       59.25933 622.1000       83.32495 753.2000       84.29416 111.4167 7.687572 122.8673 7.038430 -11.45063      10.42297 
1 1 1 -5  20 28 o 51.87893 7.391901 136.9270       36.47589 169.9000       55.09736 111.2000       48.66823 57.03602 10.24560 45.76998 11.00013 11.26604       15.03247 
1 1 1 -5  20 29 o 143.8203 5.339195 1025.854       75.03221 1053.000       109.7122 1002.000       102.8437 144.6536 7.777125 141.2505 7.464935 3.403152       10.78002 
1 1 1 -5  20 30 o 131.3850 5.231340 856.9435       67.14224 884.2000       97.75264 832.6000       92.38177 132.4478 7.571655 128.6118 7.369210 3.835968       10.56576 
1 1 1 -5  20 31 f 141.5981 7.728044 1015.000       106.7048 1015.000       106.7048 0.000000       0.000000 141.5981 7.728044 ?        ?        ?              ?        
1 1 1 -5  20 32 o 98.70757 5.136364 485.5110       49.45564 466.6000       71.34838 503.0000       68.61344 95.71437 7.679942 99.68680 7.077812 -3.972427      10.44399 
1 1 1 -5  20 33 o 66.85079 8.335918 231.4000       53.36451 0.000000       0.000000 231.4000       53.36451 ?        ?        66.85079 8.335918 ?              ?        
1 1 1 -5  20 34 o 73.25331 8.047352 277.2000       56.75235 0.000000       0.000000 277.2000       56.75235 ?        ?        73.25331 8.047352 ?              ?        
1 1 1 -5  20 35 o 94.50896 5.313337 447.6552       48.95467 462.9000       72.37806 434.8000       66.46413 94.80745 7.870242 92.11347 7.434651 2.693977       10.82658 
1 1 1 -5  20 36 o 79.93859 5.725835 322.3040       44.50570 279.7000       64.33693 361.4000       61.63134 72.73210 9.245752 83.75480 7.600381 -11.02270      11.96870 
1 1 1 -5  20 37 o 79.77135 5.718128 321.6513       44.35236 298.2000       65.50805 341.5000       60.26667 75.00753 9.108925 81.20271 7.673296 -6.195175      11.91016 
1 1 1 -5  20 38 o 69.01088 6.273979 243.3392       41.91780 264.1000       63.95012 227.7000       55.50441 70.06281 9.575254 65.38439 8.903657 4.678413       13.07519 
1 1 1 -5  20 39 o 38.56693 9.591633 82.63091       36.05759 41.61000       53.83712 116.0000       48.55695 30.89526 12.15023 45.07160 11.08458 -14.17634      16.44676 
1 1 1 -5  20 40 o 23.14621 9.497704 15.23856       34.41790 71.32000       52.33556 -27.50000      45.68749 35.47197 12.32425 20.57239 9.534961 14.89958       15.58212 
1 1 1 -5  20 41 o 27.05583 9.918105 36.36791       34.35398 53.86000       53.15466 23.82000       45.02006 32.12293 12.22215 26.39772 10.85051 5.725206       16.34365 
1 1 1 -5  20 42 o 55.54998 6.943598 163.1015       36.93271 189.0000       57.12386 144.5000       48.41208 57.28564 10.57700 50.19258 10.20204 7.093067       14.69539 
1 1 1 -5  20 43 o 31.46632 9.766196 56.47939       33.21467 12.02000       50.17874 91.15000       44.31174 25.43300 10.99620 39.00270 11.08561 -13.56970      15.61433 
1 1 1 -5  20 44 o 57.59703 10.09724 190.9000       54.85153 190.9000       54.85153 0.000000       0.000000 57.59703 10.09724 ?        ?        ?              ?        
1 1 1 -5  20 45 o 34.58181 9.397948 69.27396       32.63563 0.3257000      47.54575 130.7000       44.87725 23.35209 10.37828 47.36621 9.994162 -24.01412      14.40805 
1 1 1 -5  20 46 o 49.33433 10.37495 144.3000       48.50901 0.000000       0.000000 144.3000       48.50901 ?        ?        49.33433 10.37495 ?              ?        
1 1 1 -5  20 47 o 32.53524 9.551423 62.25655       32.40559 71.27000       46.24403 53.56000       45.42384 33.96597 11.59344 30.57186 11.36928 3.394117       16.23787 
1 1 1 -5  20 48 o 23.17991 10.16994 7.700000       44.27383 0.000000       0.000000 7.700000       44.27383 ?        ?        23.17991 10.16994 ?              ?        
1 1 1 -5  20 49 o 41.24827 8.630822 98.26009       33.72591 93.31000       50.31042 102.3000       45.45029 37.52789 12.06825 40.06239 11.17160 -2.534496      16.44528 
1 1 1 -5  20 50 f 18.42771 8.254301 -4.473639      30.69997 -18.27000      45.48411 7.071000       41.60711 20.51798 9.511120 22.47733 9.860375 -1.959349      13.69994 
1 1 1 -5  20 51 o 25.76337 9.442105 36.32560       31.13276 55.77000       45.83435 19.67000       42.42032 30.34159 11.39282 24.21687 10.28147 6.124720       15.34618 
1 1 1 -5  20 52 o 21.82633 8.994611 17.12459       31.04091 -2.447000      45.07384 34.78000       42.81050 21.90613 9.890660 26.51438 10.69870 -4.608257      14.57008 
1 1 1 -5  20 53 o 23.39120 10.31320 9.290000       46.04852 9.290000       46.04852 0.000000       0.000000 23.39120 10.31320 ?        ?        ?              ?        
1 1 1 -5  20 54 o 20.69737 8.804770 10.89822       31.21672 -11.51000      44.16508 33.27000       44.12916 20.66797 9.505972 26.24702 10.76054 -5.579050      14.35802 
1 1 1 -5  20 55 o 32.15770 11.46845 67.88000       45.53580 0.000000       0.000000 67.88000       45.53580 ?        ?        32.15770 11.46845 ?              ?        
1 1 1 -5  20 56 o 33.71774 9.428224 70.51907       32.32405 66.10000       45.65680 74.96000       45.76963 31.51737 11.45231 33.21688 11.52613 -1.699512      16.24829 
1 1 1 -5  20 57 o 27.72309 9.591069 47.50974       31.68120 28.78000       45.01646 65.89000       44.59449 25.07387 10.61603 31.15788 11.31878 -6.084005      15.51821 
1 1 1 -5  21 1  f 225.1135 5.365663 2487.164       118.2309 2337.000       197.2279 2571.396       147.7144 217.4082 9.289415 228.6333 6.607435 -11.22507      11.39962 
1 1 1 -5  21 2  o 161.5378 3.722116 1278.844       58.85321 1257.000       117.9835 1286.080       67.90476 159.6344 7.572310 161.9015 4.288701 -2.267120      8.702461 
1 1 1 -5  21 3  o 383.3576 7.320367 7230.898       274.6902 6889.000       531.8979 7355.249       320.7773 370.9566 14.67767 386.2888 8.483699 -15.33224      16.95308 
1 1 1 -5  21 4  o 79.49205 4.971622 311.2287       38.49001 0.000000       0.000000 311.2287       38.49001 ?        ?        79.49205 4.971622 ?              ?        
1 1 1 -5  21 5  o 126.5212 4.916853 786.5264       60.77561 792.3000       85.04376 780.5000       86.88519 126.7481 6.880602 125.7686 7.086431 0.9794159      9.877255 
1 1 1 -5  21 6  o 131.8738 4.006844 853.3078       51.66104 941.9000       93.57439 814.4662       61.95947 138.2161 6.938786 128.7492 4.925596 9.466888       8.509304 
1 1 1 -5  21 7  o 173.2950 3.852135 1472.041       65.34222 1412.000       129.6445 1492.487       75.65406 169.1339 7.852436 174.3945 4.435534 -5.260635      9.018576 
1 1 1 -5  21 8  o 175.2837 4.448106 1507.812       76.25564 1783.000       147.9399 1408.243       88.98809 190.0674 7.969592 169.2853 5.377217 20.78209       9.613993 
1 1 1 -5  21 9  o 217.9439 5.190420 2331.465       110.7270 2437.000       199.3426 2284.375       133.1585 221.9489 9.195654 215.4895 6.319840 6.459427       11.15798 
1 1 1 -5  21 10 o 266.3706 5.291117 3483.294       137.9557 3796.000       293.2103 3394.388       156.3416 276.5010 10.85478 262.8199 6.077291 13.68112       12.44024 
1 1 1 -5  21 11 o 33.21731 4.994097 55.35182       15.73574 52.99000       44.82511 55.68378       16.80526 33.79942 11.41569 33.26373 5.342227 0.5356941      12.60386 
1 1 1 -5  21 12 o 32.39675 5.256033 52.84127       16.09664 10.79000       44.26708 59.24864       17.27951 26.12389 10.75093 34.33931 5.312166 -8.215418      11.99173 
1 1 1 -5  21 13 o 267.8111 6.126625 3525.997       160.6039 3271.000       268.1902 3668.571       200.5376 256.5562 10.70309 272.7619 7.518312 -16.20569      13.07980 
1 1 1 -5  21 14 o 113.9524 3.661186 637.2253       40.78378 803.0000       84.91730 587.5220       46.49754 127.5423 6.826859 109.3506 4.352825 18.19170       8.096486 
1 1 1 -5  21 15 o 346.5767 7.740444 5924.748       262.5859 7074.000       518.0466 5527.385       304.6176 375.0620 14.13636 334.0410 9.325546 41.02100       16.93524 
1 1 1 -5  21 16 o 77.51137 3.454259 295.1098       26.14172 0.000000       0.000000 295.1098       26.14172 ?        ?        77.51137 3.454259 ?              ?        
1 1 1 -5  21 17 o 157.9842 4.238322 1225.561       65.48190 1231.000       120.6921 1223.292       77.95267 157.7090 7.842972 157.7281 5.055649 -0.1908875E-01 9.331226 
1 1 1 -5  21 18 o 139.1063 3.404085 948.7241       46.35040 978.1000       103.1835 941.2980       51.87920 140.5642 7.526892 138.4755 3.831171 2.088669       8.445827 
1 1 1 -5  21 19 o 116.1568 4.535097 663.5980       51.46381 0.000000       0.000000 663.5980       51.46381 ?        ?        116.1568 4.535097 ?              ?        
1 1 1 -5  21 20 o 64.33431 6.325382 205.9366       39.31781 222.2000       59.32829 193.2000       52.50281 66.22807 9.417038 61.77910 8.942048 4.448963       12.98618 
1 1 1 -5  21 21 o 137.1279 5.245872 926.5791       70.28261 930.9000       101.5064 922.6000       97.40936 136.9399 7.602658 136.3956 7.323005 0.5442963      10.55589 
1 1 1 -5  21 22 o 148.9522 5.367624 1094.006       78.13123 1178.000       115.8821 1024.000       105.7942 153.9705 7.713614 143.5730 7.554637 10.39749       10.79687 
1 1 1 -5  21 23 f 134.9027 5.174074 897.7657       68.19515 860.4000       97.12448 934.1000       95.77471 131.4649 7.579800 137.1193 7.160669 -5.654388      10.42730 
1 1 1 -5  21 24 o 114.6723 5.069596 649.2723       56.76275 627.9000       81.40224 669.5000       79.19266 112.1925 7.454813 115.9898 7.007929 -3.797256      10.23158 
1 1 1 -5  21 25 o 96.72919 5.171187 462.9626       48.78348 461.9000       71.25629 463.9000       66.92752 96.00350 7.645931 96.35394 7.147142 -0.3504410     10.46623 
1 1 1 -5  21 26 o 136.4307 5.247257 920.9972       69.94238 866.9000       98.46116 976.1000       99.37205 131.5382 7.680696 139.7600 7.289182 -8.221817      10.58892 
1 1 1 -5  21 27 o 150.1560 5.399406 1117.405       79.22958 1175.000       116.5987 1068.000       107.9908 152.9505 7.814089 145.9101 7.587345 7.040436       10.89164 
1 1 1 -5  21 28 o 135.4768 5.218783 910.2739       69.07606 920.3000       100.2186 901.2000       95.34045 135.2307 7.601844 133.9596 7.298618 1.271027       10.53840 
1 1 1 -5  21 29 o 79.93879 8.202598 325.9000       63.27284 325.9000       63.27284 0.000000       0.000000 79.93879 8.202598 ?        ?        ?              ?        
1 1 1 -5  21 30 o 49.60601 10.93106 132.6000       51.64265 132.6000       51.64265 0.000000       0.000000 49.60601 10.93106 ?        ?        ?              ?        
1 1 1 -5  21 31 o 66.48228 5.880316 222.4049       37.87182 264.3000       56.62646 188.5000       50.94120 71.63699 8.224628 60.08305 8.933255 11.55393       12.14280 
1 1 1 -5  21 32 o 32.81248 11.32129 53.92000       44.13118 0.000000       0.000000 53.92000       44.13118 ?        ?        32.81248 11.32129 ?              ?        
1 1 1 -5  21 33 o 69.84157 6.102487 246.6690       41.29973 192.2000       60.29878 294.8000       56.68213 59.59417 10.73172 75.68244 7.761304 -16.08827      13.24416 
1 1 1 -5  21 34 o 55.34196 7.109873 157.8138       37.62565 145.4000       56.19676 167.9000       50.65508 51.16673 11.50120 56.03791 9.578838 -4.871181      14.96769 
1 1 1 -5  21 35 o 82.52069 5.533310 342.7652       44.43619 302.3000       63.62442 381.3000       62.08825 75.93420 8.718078 86.12088 7.438206 -10.18668      11.46001 
1 1 1 -5  21 36 o 34.17595 9.617660 63.63507       33.52282 54.64000       49.16567 71.45000       45.82708 32.96816 11.89744 36.07243 11.50964 -3.104271      16.55358 
1 1 1 -5  21 37 o 91.46230 5.367533 421.6748       47.84206 417.9000       69.90814 425.0000       65.61365 89.44356 8.071720 90.61488 7.463673 -1.171318      10.99359 
1 1 1 -5  21 38 o 60.42493 6.825822 189.3711       39.66582 128.4000       58.60941 240.9000       53.88038 46.64386 12.55953 67.34922 8.352058 -20.70536      15.08306 
1 1 1 -5  21 39 o 107.6029 5.252006 586.2300       55.14951 585.7000       80.44341 586.7000       75.75402 105.4218 7.852069 105.9787 7.348159 -0.5569305     10.75409 
1 1 1 -5  21 40 o 42.60564 8.913886 100.8980       35.97793 121.2000       54.20416 84.91000       48.10168 44.78300 12.08690 37.79576 11.75635 6.987240       16.86135 
1 1 1 -5  21 41 o 49.50566 7.528157 131.5813       35.33187 196.2000       55.06497 86.36000       46.06465 58.92696 9.897262 38.02070 11.44437 20.90626       15.13041 
1 1 1 -5  21 42 o 59.25364 6.579481 184.6980       37.51783 236.7000       57.26898 145.6000       49.65774 65.11365 9.245041 49.95921 10.48924 15.15444       13.98195 
1 1 1 -5  21 43 o 62.22327 9.784167 220.6000       57.62641 220.6000       57.62641 0.000000       0.000000 62.22327 9.784167 ?        ?        ?              ?        
1 1 1 -5  21 44 o 42.60392 8.408051 101.4235       33.81768 140.1000       52.00191 73.08000       44.51664 48.08104 11.25022 34.76282 11.36571 13.31822       15.99208 
1 1 1 -5  21 45 o 21.00599 9.444595 -6.166000      40.61065 0.000000       0.000000 -6.166000      40.61065 ?        ?        21.00599 9.444595 ?              ?        
1 1 1 -5  21 46 o 27.17221 9.426358 40.88159       30.61160 65.86000       44.48230 18.41000       42.19119 32.91426 11.36580 24.43881 10.30882 8.475449       15.34448 
1 1 1 -5  21 47 o 41.66671 8.426571 98.87381       33.18499 57.66000       47.33769 138.7000       46.53397 31.12825 11.60047 48.07051 10.20560 -16.94225      15.45074 
1 1 1 -5  21 48 o 44.53650 8.169981 112.2926       34.30375 140.8000       50.80133 88.40000       46.50813 47.35000 11.14705 36.96077 11.56970 10.38923       16.06595 
1 1 1 -5  21 49 o 52.73665 10.00626 167.0000       49.76331 0.000000       0.000000 167.0000       49.76331 ?        ?        52.73665 10.00626 ?              ?        
1 1 1 -5  21 50 o 45.85927 7.800900 118.2335       33.76423 136.4000       49.56149 102.5000       46.12333 46.39900 11.06810 39.77576 11.31148 6.623245       15.82569 
1 1 1 -5  21 51 o 35.14456 9.305090 74.34414       32.50913 75.54000       47.03126 73.25000       44.98658 33.94475 11.68839 33.60495 11.43543 0.3397980      16.35199 
1 1 1 -5  21 52 o 25.67703 10.80059 27.08000       46.10449 27.08000       46.10449 0.000000       0.000000 25.67703 10.80059 ?        ?        ?              ?        
1 1 1 -5  21 53 o 16.72460 7.790667 -18.21372      31.09932 -0.5046000     44.90272 -34.54000      43.11395 21.95356 9.895619 18.36955 8.742479 3.584011       13.20433 
1 1 1 -5  21 54 o 50.17873 10.50415 157.2000       49.93466 0.000000       0.000000 157.2000       49.93466 ?        ?        50.17873 10.50415 ?              ?        
1 1 1 -5  21 55 o 22.84311 9.126822 24.17396       30.83229 11.53000       43.44841 37.00000       43.76014 22.89205 10.05817 26.50655 10.77260 -3.614500      14.73824 
1 1 1 -5  21 56 o 33.84627 9.436253 71.87170       32.43050 27.39000       45.67399 117.1000       46.05570 25.00679 10.64455 41.77447 11.08235 -16.76768      15.36635 
1 1 1 -5  22 1  o 174.4803 4.537889 1494.277       77.43506 1305.000       125.7123 1610.000       98.29663 162.5500 7.924930 180.9863 5.555219 -18.43634      9.678066 
1 1 1 -5  22 2  o 143.3309 3.528442 1006.804       49.50271 1020.000       101.4118 1002.676       56.71923 143.7776 7.229140 142.9483 4.057745 0.8292847      8.290100 
1 1 1 -5  22 3  o 139.2903 3.476185 950.8094       47.39474 1029.000       100.1773 928.2608       53.79628 144.4290 7.107953 137.5415 4.000128 6.887573       8.156225 
1 1 1 -5  22 4  o 184.4718 4.035180 1668.468       72.86166 1642.000       145.5433 1677.319       84.16814 182.3152 8.176539 184.8473 4.655584 -2.532059      9.409052 
1 1 1 -5  22 5  o 193.7055 4.833171 1841.156       91.63902 1860.000       160.2799 1832.004       111.6960 193.9947 8.461136 193.0086 5.919274 0.9860687      10.32611 
1 1 1 -5  22 6  o 205.1946 6.175287 2071.383       123.8896 0.000000       0.000000 2071.383       123.8896 ?        ?        205.1946 6.175287 ?              ?        
1 1 1 -5  22 7  f 181.9165 4.620984 1624.644       82.21690 1488.000       137.6532 1700.424       102.5102 173.5261 8.126869 185.9752 5.637775 -12.44908      9.890931 
1 1 1 -5  22 8  o 195.0455 4.883535 1868.183       93.16113 2218.000       179.0830 1738.391       109.0832 211.7913 8.656779 187.9902 5.935553 23.80118       10.49622 
1 1 1 -5  22 9  o 99.64918 3.636511 487.3903       35.41081 520.8000       70.01167 475.9055       41.04840 102.6238 7.011856 98.41216 4.271464 4.211678       8.210452 
1 1 1 -5  22 10 f 215.3775 6.284286 2283.130       132.3420 0.000000       0.000000 2283.130       132.3420 ?        ?        215.3775 6.284286 ?              ?        
1 1 1 -5  22 11 o 228.3164 5.390017 2560.543       120.4574 2462.000       206.4892 2611.377       148.3074 222.8365 9.488552 230.2728 6.586587 -7.436218      11.55057 
1 1 1 -5  22 12 o 196.9778 4.825016 1904.720       93.02982 1825.000       160.7604 1944.857       114.0700 191.9978 8.575788 198.8125 5.868093 -6.814774      10.39128 
1 1 1 -5  22 13 o 202.7324 4.278483 2016.545       84.90226 2245.000       184.6338 1955.283       95.61054 212.8522 8.881413 199.5523 4.894888 13.29987       10.14098 
1 1 1 -5  22 14 o 81.69546 3.982080 328.1523       31.74709 0.000000       0.000000 328.1523       31.74709 ?        ?        81.69546 3.982080 ?              ?        
1 1 1 -5  22 15 o 47.74862 4.271131 112.7689       19.75168 0.000000       0.000000 112.7689       19.75168 ?        ?        47.74862 4.271131 ?              ?        
1 1 1 -5  22 16 o 155.5719 5.398071 1191.337       82.07623 1350.000       125.2717 1072.000       108.6429 165.1257 7.772352 147.1499 7.568273 17.97580       10.84842 
1 1 1 -5  22 17 o 96.35522 3.988889 456.3820       37.53991 329.1000       67.44785 513.5073       45.18547 81.05338 8.634156 102.1557 4.530138 -21.10232      9.750425 
1 1 1 -5  22 18 o 75.21690 4.090534 278.5368       30.00296 261.7000       61.04469 283.8994       34.45123 72.10554 8.833430 75.87337 4.661337 -3.767838      9.987870 
1 1 1 -5  22 19 o 155.7602 4.285187 1192.515       65.27090 1086.000       114.3171 1244.034       79.50410 147.8558 7.927888 158.9472 5.116780 -11.09135      9.435721 
1 1 1 -5  22 20 o 154.6212 5.429247 1178.844       82.04277 1161.000       117.1828 1196.000       114.9028 152.8239 7.860096 155.1975 7.586781 -2.373627      10.92430 
1 1 1 -5  22 21 o 185.2505 5.931798 1695.270       107.4216 1704.000       154.0197 1687.000       149.8983 184.8152 8.537042 183.9661 8.346131 0.8490295      11.93897 
1 1 1 -5  22 22 o 164.9352 5.561485 1343.694       89.65794 1333.000       127.9849 1354.000       125.6386 163.4709 8.023074 164.8379 7.809017 -1.367035      11.19600 
1 1 1 -5  22 23 o 84.36584 5.322479 352.5870       43.72881 394.8000       65.00739 317.7000       59.09789 88.77386 7.552849 79.53477 7.686853 9.239082       10.77651 
1 1 1 -5  22 24 o 86.52052 5.318565 371.1241       44.82454 350.9000       65.15297 389.3000       61.76552 83.41969 8.080264 88.15529 7.221229 -4.735596      10.83683 
1 1 1 -5  22 25 o 129.0706 5.153625 824.6042       64.97890 816.2000       93.36162 832.5000       90.49357 127.6094 7.507623 129.0045 7.194996 -1.395134      10.39867 
1 1 1 -5  22 26 o 86.26630 5.328555 369.8144       44.77463 345.7000       65.63863 390.8000       61.23251 82.52818 8.235355 88.16457 7.156975 -5.636383      10.91070 
1 1 1 -5  22 27 o 59.37438 6.532778 177.8714       37.34014 171.3000       54.71477 183.6000       51.08569 57.08912 10.16404 59.55070 9.048410 -2.461586      13.60814 
1 1 1 -5  22 28 o 157.6165 7.995663 1258.000       122.9536 1258.000       122.9536 0.000000       0.000000 157.6165 7.995663 ?        ?        ?              ?        
1 1 1 -5  22 29 o 32.75629 11.77203 50.55000       48.07584 50.55000       48.07584 0.000000       0.000000 32.75629 11.77203 ?        ?        ?              ?        
1 1 1 -5  22 30 o 76.68529 5.456508 294.4510       40.68990 238.3000       58.29488 347.8000       56.82182 67.60269 9.035744 82.76234 7.082172 -15.15965      11.48050 
1 1 1 -5  22 31 o 41.43177 11.03737 93.95000       45.56300 0.000000       0.000000 93.95000       45.56300 ?        ?        41.43177 11.03737 ?              ?        
1 1 1 -5  22 32 o 49.61008 7.555649 127.8274       35.53305 82.73000       52.22430 166.7000       48.48629 38.88075 12.27255 56.11493 9.141852 -17.23417      15.30323 
1 1 1 -5  22 33 o 50.81029 7.497429 134.1953       36.16916 48.04000       52.39980 212.6000       49.98728 32.38956 12.17732 63.85407 8.185727 -31.46451      14.67287 
1 1 1 -5  22 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  22 35 o 92.32119 5.239793 428.3978       47.15579 450.9000       68.92822 408.6000       64.65355 93.39317 7.605870 88.94763 7.495633 4.445534       10.67866 
1 1 1 -5  22 36 o 68.74638 5.983809 240.6662       39.86478 238.8000       58.34823 242.3000       54.59351 66.80099 9.164922 67.73718 8.414818 -0.9361877     12.44206 
1 1 1 -5  22 37 o 26.55766 9.656488 33.66912       32.46806 -6.263000      47.27169 69.33000       44.67207 23.29124 10.34995 35.18546 11.37698 -11.89421      15.38042 
1 1 1 -5  22 38 o 20.83194 8.915911 4.374538       32.35681 13.01000       48.61728 -2.492000      43.35277 25.75366 10.97297 22.66201 9.998613 3.091652       14.84515 
1 1 1 -5  22 39 o 46.06454 8.336403 115.8962       36.20481 99.21000       53.80778 129.7000       48.94032 40.39784 12.41173 47.23131 10.81895 -6.833469      16.46514 
1 1 1 -5  22 40 o 32.45589 9.671559 59.88480       33.02372 44.56000       49.66530 72.03000       44.21380 30.13539 11.72276 35.02447 11.31793 -4.889080      16.29475 
1 1 1 -5  22 41 o 64.70672 9.151567 233.2000       56.34711 233.2000       56.34711 0.000000       0.000000 64.70672 9.151567 ?        ?        ?              ?        
1 1 1 -5  22 42 f 49.95660 11.29818 150.3000       53.94814 150.3000       53.94814 0.000000       0.000000 49.95660 11.29818 ?        ?        ?              ?        
1 1 1 -5  22 43 o 63.42609 8.454683 222.1000       51.18324 0.000000       0.000000 222.1000       51.18324 ?        ?        63.42609 8.454683 ?              ?        
1 1 1 -5  22 44 o 18.61458 8.770815 -31.51000      41.36852 0.000000       0.000000 -31.51000      41.36852 ?        ?        18.61458 8.770815 ?              ?        
1 1 1 -5  22 45 o 27.66957 9.505804 42.91987       31.10119 91.85000       45.03630 -1.689000      43.00166 38.34499 11.26085 21.95930 9.807425 16.38568       14.93293 
1 1 1 -5  22 46 o 71.09115 5.602448 263.5011       38.67033 260.5000       55.66737 266.3000       53.75876 68.05017 8.545225 69.27281 8.079834 -1.222641      11.76030 
1 1 1 -5  22 47 o 27.35403 9.490663 42.71762       31.03115 18.15000       44.88550 65.21000       42.94793 24.52094 10.49809 32.33778 11.16799 -7.816835      15.32756 
1 1 1 -5  22 48 o 26.50414 9.530673 39.36759       31.51690 6.566000       45.16138 70.51000       44.00438 23.00771 10.17564 33.23629 11.30990 -10.22859      15.21373 
1 1 1 -5  22 49 o 24.01880 9.205406 28.65573       30.29544 57.88000       44.44276 3.288000       41.40664 30.73752 11.27867 21.89522 9.710484 8.842299       14.88294 
1 1 1 -5  22 50 o 23.62760 10.22554 14.49000       43.47580 0.000000       0.000000 14.49000       43.47580 ?        ?        23.62760 10.22554 ?              ?        
1 1 1 -5  22 51 o 49.34606 11.02478 154.3000       51.90720 154.3000       51.90720 0.000000       0.000000 49.34606 11.02478 ?        ?        ?              ?        
1 1 1 -5  22 52 o 34.94482 9.650342 74.96583       34.09633 168.9000       50.84408 -1.800000      45.96345 52.40311 10.27976 22.03776 9.965352 30.36535       14.31718 
1 1 1 -5  22 53 o 32.52853 11.47616 69.44000       45.48972 0.000000       0.000000 69.44000       45.48972 ?        ?        32.52853 11.47616 ?              ?        
1 1 1 -5  22 54 o 16.39229 7.616365 -16.00609      29.42723 -14.73000      41.80008 -17.26000      41.43509 19.68773 9.123324 19.36246 9.010386 0.3252792      12.82272 
1 1 1 -5  22 55 o 22.66434 9.061666 24.25903       30.41493 20.31000       43.20138 28.14000       42.82747 23.80760 10.24761 24.85868 10.43010 -1.051071      14.62192 
1 1 1 -5  22 56 o 14.81522 7.092189 -29.57940      29.25712 -2.361000      41.30698 -56.98000      41.44500 20.60908 9.369885 16.09048 7.873114 4.518597       12.23849 
1 1 1 -5  23 1  o 231.5947 5.500002 2634.508       124.6803 2861.000       227.3521 2537.096       149.1007 240.2490 9.687744 226.9742 6.718549 13.27487       11.78946 
1 1 1 -5  23 2  o 259.0370 5.191576 3294.595       131.6337 3433.000       271.0713 3251.886       150.5800 262.8946 10.55552 257.2169 5.980831 5.677643       12.13216 
1 1 1 -5  23 3  o 182.6964 4.687895 1638.974       83.76357 1659.000       146.5855 1629.264       102.0698 183.1920 8.195573 182.0047 5.736555 1.187332       10.00377 
1 1 1 -5  23 4  f 197.5272 4.228354 1913.720       81.75317 2157.000       177.2465 1847.979       92.13955 208.7982 8.691515 193.9771 4.856586 14.82114       9.956348 
1 1 1 -5  23 5  o 265.5120 5.296969 3462.205       137.6632 3909.000       300.0625 3343.093       154.9303 280.3315 10.95647 260.7632 6.069932 19.56827       12.52551 
1 1 1 -5  23 6  o 165.7729 4.447174 1349.249       72.09603 1445.000       130.6978 1307.369       86.43643 170.9958 7.829443 163.0505 5.423421 7.945297       9.524373 
1 1 1 -5  23 7  o 127.2814 4.913757 796.5057       61.10381 0.000000       0.000000 796.5057       61.10381 ?        ?        127.2814 4.913757 ?              ?        
1 1 1 -5  23 8  o 93.07835 5.175817 426.8028       46.96996 496.3000       69.54102 368.5000       63.69448 100.1160 7.143223 86.11240 7.635731 14.00356       10.45610 
1 1 1 -5  23 9  o 69.05473 3.589446 234.4143       24.17874 295.2000       58.88720 222.0887       26.51706 76.94023 7.932761 67.16769 4.052129 9.772537       8.907775 
1 1 1 -5  23 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  23 11 o 61.81748 3.959025 188.2107       23.82961 203.3000       56.47090 184.9417       26.28445 63.39273 9.383846 61.22851 4.415354 2.164227       10.37072 
1 1 1 -5  23 12 o 220.6866 4.566704 2390.919       98.64726 2561.000       209.0886 2342.220       111.8821 227.0782 9.427451 218.3221 5.235482 8.756149       10.78365 
1 1 1 -5  23 13 o 107.8130 3.596498 570.6462       37.90084 0.000000       0.000000 570.6462       37.90084 ?        ?        107.8130 3.596498 ?              ?        
1 1 1 -5  23 14 o 157.7529 4.153254 1222.266       64.07581 0.000000       0.000000 1222.266       64.07581 ?        ?        157.7529 4.153254 ?              ?        
1 1 1 -5  23 15 o 103.4202 3.638908 525.3167       36.77947 546.9000       76.05522 518.7286       42.01951 104.9469 7.452254 102.7099 4.188365 2.237000       8.548595 
1 1 1 -5  23 16 o 63.12753 4.751483 196.9456       29.14438 144.6000       57.06372 215.4185       33.89912 52.75904 11.38436 65.96420 5.294606 -13.20515      12.55534 
1 1 1 -5  23 17 o 169.8305 5.642349 1422.069       93.66525 1321.000       129.4849 1533.000       135.6557 163.0238 8.140258 175.7219 7.907151 -12.69815      11.34843 
1 1 1 -5  23 18 o 62.38603 3.358838 191.4932       20.43518 242.9000       59.58952 184.6419       21.75436 69.29866 8.997130 61.22711 3.646432 8.071552       9.707977 
1 1 1 -5  23 19 o 150.9706 4.214010 1121.051       62.21128 1013.000       109.4469 1172.626       75.61459 142.6141 7.870857 154.2487 5.014822 -11.63454      9.332675 
1 1 1 -5  23 20 o 126.3161 5.121384 787.5134       63.19034 766.9000       90.41018 807.2000       88.35455 124.0594 7.480034 127.3952 7.113738 -3.335823      10.32261 
1 1 1 -5  23 21 o 146.9320 5.275158 1066.365       75.74477 1094.000       109.4895 1041.000       104.8967 148.1111 7.577471 144.5182 7.440418 3.592880       10.61969 
1 1 1 -5  23 22 o 138.5581 5.207150 949.0748       70.49603 932.2000       100.6894 965.3000       98.73228 136.5656 7.561971 139.0820 7.277727 -2.516342      10.49518 
1 1 1 -5  23 23 o 54.89358 6.967026 152.2989       36.59269 159.8000       54.39988 146.1000       49.45289 55.25722 10.44029 52.93624 9.908125 2.320976       14.39342 
1 1 1 -5  23 24 f 101.0876 5.146655 506.6223       50.75718 453.3000       72.10442 559.0000       71.46285 94.79369 7.841063 105.6531 6.948797 -10.85939      10.47703 
1 1 1 -5  23 25 o 104.5691 5.093109 542.4888       51.97379 559.2000       75.85311 527.7000       71.35686 105.3917 7.399964 102.4579 7.160216 2.933838       10.29700 
1 1 1 -5  23 26 o 89.63580 5.263205 399.7456       45.97510 314.7000       64.24754 489.0000       65.81812 78.43255 8.504559 98.63124 6.860252 -20.19869      10.92660 
1 1 1 -5  23 27 o 117.3955 7.377214 696.5000       84.34293 696.5000       84.34293 0.000000       0.000000 117.3955 7.377214 ?        ?        ?              ?        
1 1 1 -5  23 28 o 118.4201 5.097358 698.1174       58.94654 685.3000       83.92034 710.6000       82.81663 116.2393 7.414431 118.5050 7.173202 -2.265671      10.31642 
1 1 1 -5  23 29 o 68.71955 5.875942 237.7676       39.14539 315.0000       60.11220 180.9000       51.58164 78.32085 7.951218 58.61259 9.301075 19.70826       12.23650 
1 1 1 -5  23 30 f 41.93939 11.03076 96.52000       45.87978 0.000000       0.000000 96.52000       45.87978 ?        ?        41.93939 11.03076 ?              ?        
1 1 1 -5  23 31 o 51.03466 7.193960 134.5553       34.94102 105.9000       51.38513 159.2000       47.65369 43.57576 11.77155 54.74411 9.220404 -11.16835      14.95277 
1 1 1 -5  23 32 o 104.6792 5.063040 548.1768       51.72354 534.8000       74.69507 560.5000       71.69349 102.0660 7.529616 104.8121 7.028780 -2.746063      10.30043 
1 1 1 -5  23 33 o 33.50763 9.431398 60.77978       32.23372 22.81000       48.26073 91.36000       43.31070 27.64391 11.28368 40.57954 10.73850 -12.93563      15.57680 
1 1 1 -5  23 34 o 27.57388 9.635306 37.50339       32.01426 0.6949000      48.05779 66.87000       42.92563 24.51737 10.67946 34.96876 11.13731 -10.45139      15.43018 
1 1 1 -5  23 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  23 36 o 86.68506 5.286861 380.0176       44.64555 421.0000       65.97672 345.4000       60.63734 89.77068 7.579187 81.16213 7.725819 8.608551       10.82277 
1 1 1 -5  23 37 o 28.10696 9.648001 41.34996       32.03672 -17.07000      47.23944 91.10000       43.59341 21.95188 9.995866 39.69669 10.89196 -17.74481      14.78351 
1 1 1 -5  23 38 f 21.55886 8.949500 11.53764       31.03852 -9.245000      45.94142 28.99000       42.09991 22.30774 10.03631 26.73010 10.66991 -4.422361      14.64836 
1 1 1 -5  23 39 o 26.85731 9.524923 37.40141       31.36946 13.24000       46.10363 58.23000       42.80593 24.96098 10.66186 32.11461 11.14654 -7.153625      15.42467 
1 1 1 -5  23 40 o 25.51522 10.74781 18.77000       45.75812 18.77000       45.75812 0.000000       0.000000 25.51522 10.74781 ?        ?        ?              ?        
1 1 1 -5  23 41 o 20.00491 8.646303 3.442166       31.00239 48.52000       45.45717 -35.76000      42.39122 30.09036 11.33569 18.63228 8.809215 11.45808       14.35618 
1 1 1 -5  23 42 o 44.99530 10.53937 120.4000       45.59879 0.000000       0.000000 120.4000       45.59879 ?        ?        44.99530 10.53937 ?              ?        
1 1 1 -5  23 43 o 20.46110 8.740705 7.125795       30.99171 -13.02000      46.16797 23.65000       41.81276 21.50368 9.826251 25.24155 10.42432 -3.737873      14.32556 
1 1 1 -5  23 44 o 40.15759 8.481944 91.66280       32.29341 94.92000       45.97244 88.49000       45.37302 38.86842 11.36707 37.53939 11.37088 1.329037       16.07816 
1 1 1 -5  23 45 o 33.52379 9.186421 66.14001       31.03279 40.96000       43.78758 91.55000       43.98709 28.02728 10.97700 38.17228 11.10631 -10.14500      15.61553 
1 1 1 -5  23 46 o 34.85337 9.139192 72.06643       31.55613 115.6000       46.03845 33.49000       43.33807 42.86135 10.93859 26.52924 10.74294 16.33211       15.33178 
1 1 1 -5  23 47 o 51.66485 7.152771 146.5811       35.20306 192.8000       50.71358 103.6000       48.90496 57.30109 9.364995 39.59581 11.76229 17.70529       15.03512 
1 1 1 -5  23 48 o 29.69710 9.501702 52.59196       31.21545 42.43000       44.47282 62.46000       43.82493 27.99632 11.03302 31.61566 11.25354 -3.619341      15.75975 
1 1 1 -5  23 49 o 24.73693 9.325758 32.08761       30.77886 81.01000       45.62867 -8.759000      41.69289 35.12584 11.50813 20.50495 9.357662 14.62089       14.83250 
1 1 1 -5  23 50 o 43.99224 11.50065 126.7000       50.06966 126.7000       50.06966 0.000000       0.000000 43.99224 11.50065 ?        ?        ?              ?        
1 1 1 -5  23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  23 52 o 18.90870 8.897378 -25.30000      42.31519 0.000000       0.000000 -25.30000      42.31519 ?        ?        18.90870 8.897378 ?              ?        
1 1 1 -5  23 53 o 30.88420 9.560031 58.98909       31.85129 63.32000       44.59732 54.48000       45.50546 31.16622 11.31953 29.55189 11.29294 1.614325       15.98944 
1 1 1 -5  23 54 o 27.01952 9.452875 43.95448       30.81898 20.39000       43.37502 67.98000       43.79728 23.88498 10.27440 31.82284 11.25762 -7.937855      15.24131 
1 1 1 -5  23 55 o 29.25218 9.530203 54.09439       31.31281 56.82000       44.49447 51.42000       44.07453 29.34471 11.17817 28.39985 11.04449 0.9448643      15.71408 
1 1 1 -5  24 1  o 180.8580 3.996050 1604.372       70.74160 1786.000       152.4075 1554.495       79.86623 189.9778 8.215333 177.9037 4.590237 12.07411       9.410737 
1 1 1 -5  24 2  o 331.8654 6.439107 5421.076       209.1674 5650.000       430.7784 5350.453       239.2658 335.5455 13.14125 329.3883 7.421063 6.157166       15.09188 
1 1 1 -5  24 3  o 132.6030 4.083837 863.3793       52.94316 762.5000       89.75944 917.2001       65.56229 124.1262 7.421610 136.5796 4.912130 -12.45341      8.899961 
1 1 1 -5  24 4  o 161.1462 4.372828 1275.287       68.91076 1320.000       123.8238 1255.225       82.94184 163.3523 7.766372 159.7422 5.311930 3.610107       9.409204 
1 1 1 -5  24 5  o 158.2486 4.346607 1229.867       67.26436 1222.000       119.1204 1233.550       81.50164 157.1479 7.768185 158.3581 5.265314 -1.210190      9.384467 
1 1 1 -5  24 6  o 108.2199 3.289145 574.6085       34.80101 610.7000       77.93167 565.6186       38.89447 111.0586 7.207883 107.3329 3.707674 3.725777       8.105579 
1 1 1 -5  24 7  o 131.4274 4.064014 848.2345       52.21859 875.4000       94.63067 836.3411       62.61472 133.0251 7.295550 130.3999 4.914402 2.625137       8.796386 
1 1 1 -5  24 8  o 108.5995 4.978799 580.5511       52.78394 548.4000       76.27355 610.1000       73.12170 105.1605 7.458347 111.0708 6.757718 -5.910370      10.06448 
1 1 1 -5  24 9  o 131.9575 4.676483 856.1414       60.30768 0.000000       0.000000 856.1414       60.30768 ?        ?        131.9575 4.676483 ?              ?        
1 1 1 -5  24 10 o 73.40026 3.836439 265.0191       27.46768 348.3000       62.75949 245.2868       30.54891 83.60696 7.757329 70.54323 4.446820 13.06373       8.941497 
1 1 1 -5  24 11 o 217.2086 6.400681 2327.025       135.9363 2277.000       194.2857 2375.000       190.2634 213.9424 9.299859 218.6509 8.908575 -4.708511      12.87828 
1 1 1 -5  24 12 f 32.29947 6.110313 53.06329       18.61073 0.000000       0.000000 53.06329       18.61073 ?        ?        32.29947 6.110313 ?              ?        
1 1 1 -5  24 13 o 232.6080 4.767096 2659.193       108.5387 2756.000       225.8811 2630.131       123.7631 235.0086 9.841291 231.1803 5.469333 3.828339       11.25898 
1 1 1 -5  24 14 o 151.1078 3.596188 1120.338       53.19069 1188.000       116.5202 1102.527       59.78316 154.7150 7.718561 149.7924 4.081199 4.922607       8.731114 
1 1 1 -5  24 15 o 116.1025 4.008089 662.7172       45.48134 659.1000       83.60110 664.2378       54.20465 115.1470 7.457539 116.1253 4.778951 -0.9783173     8.857385 
1 1 1 -5  24 16 o 92.36433 4.095552 419.9176       36.93530 380.0000       69.00069 435.9489       43.72754 87.09415 8.190032 94.02074 4.766995 -6.926590      9.476332 
1 1 1 -5  24 17 o 112.8292 3.948522 626.1909       43.54038 588.1000       80.65682 641.8558       51.72426 108.5863 7.637280 114.1251 4.639952 -5.538811      8.936286 
1 1 1 -5  24 18 o 107.1823 3.868203 565.2125       40.51592 512.6000       75.65620 586.3685       47.97519 101.2673 7.690032 109.0715 4.503334 -7.804237      8.911600 
1 1 1 -5  24 19 o 68.02909 4.029523 228.3519       26.71190 177.6000       56.75792 242.7912       30.27422 58.56693 10.27529 70.09566 4.435148 -11.52873      11.19161 
1 1 1 -5  24 20 o 156.0605 5.418356 1204.620       82.64326 1246.000       119.7591 1167.000       114.1901 157.8514 7.774857 152.8018 7.659147 5.049530       10.91380 
1 1 1 -5  24 21 o 187.4465 5.964704 1743.000       109.2998 1840.000       159.9361 1658.000       149.7159 191.2477 8.565400 181.5933 8.446044 9.654373       12.02920 
1 1 1 -5  24 22 o 84.31413 5.331503 353.1357       43.77504 324.0000       63.14121 380.1000       60.74292 79.94067 8.184780 86.97157 7.199749 -7.030899      10.90078 
1 1 1 -5  24 23 o 101.5698 5.085619 511.7377       50.40005 478.7000       71.75983 543.9000       70.80269 97.43095 7.584210 104.1144 6.988038 -6.683411      10.31276 
1 1 1 -5  24 24 o 85.08260 5.314096 360.3130       44.03546 334.1000       63.29681 384.9000       61.30217 81.02556 8.088918 87.34044 7.235449 -6.314880      10.85276 
1 1 1 -5  24 25 o 98.63750 5.140571 483.8838       49.46048 498.2000       71.43389 470.7000       68.55053 99.25192 7.406303 96.49917 7.311814 2.752754       10.40750 
1 1 1 -5  24 26 o 72.70499 8.310517 271.9000       58.08114 271.9000       58.08114 0.000000       0.000000 72.70499 8.310517 ?        ?        ?              ?        
1 1 1 -5  24 27 o 116.7292 5.056030 678.5923       57.63208 659.4000       82.03010 697.3000       80.98803 113.9507 7.394376 117.3653 7.082729 -3.414619      10.23923 
1 1 1 -5  24 28 o 81.99635 7.485723 343.7000       59.41870 0.000000       0.000000 343.7000       59.41870 ?        ?        81.99635 7.485723 ?              ?        
1 1 1 -5  24 29 o 73.11244 8.014742 276.3000       56.41809 0.000000       0.000000 276.3000       56.41809 ?        ?        73.11244 8.014742 ?              ?        
1 1 1 -5  24 30 o 59.68412 6.483027 181.7477       37.26643 222.1000       56.31001 150.3000       49.71024 64.85071 9.122667 52.76344 9.990841 12.08727       13.52923 
1 1 1 -5  24 31 o 76.85174 5.558252 297.5736       41.52921 297.9000       61.49244 297.3000       56.31134 75.50780 8.465602 75.84402 7.691458 -0.3362122     11.43787 
1 1 1 -5  24 32 o 45.07011 7.984141 107.3912       33.93362 60.67000       49.25528 149.6000       46.81634 34.12434 11.94951 52.70581 9.420495 -18.58147      15.21633 
1 1 1 -5  24 33 o 76.04469 5.601964 292.5162       41.40533 205.1000       57.77867 384.8000       59.36554 61.45901 9.943966 86.47524 7.075329 -25.01623      12.20421 
1 1 1 -5  24 34 o 42.46721 8.394670 97.08688       33.65769 133.4000       50.98590 69.04000       44.80851 48.61447 10.97548 35.26897 11.39353 13.34550       15.82004 
1 1 1 -5  24 35 o 109.3576 5.085905 603.0636       54.29156 667.2000       81.32562 551.5000       72.92000 113.2323 7.377721 102.9915 7.280258 10.24075       10.36499 
1 1 1 -5  24 36 o 32.20521 9.526943 57.85061       32.13718 46.39000       47.73705 67.35000       43.46099 30.61124 11.59755 34.40831 11.22889 -3.797070      16.14284 
1 1 1 -5  24 37 o 50.33572 7.312826 135.0763       34.97696 148.2000       51.70028 124.0000       47.49645 50.51360 10.78452 46.13328 10.72258 4.380322       15.20788 
1 1 1 -5  24 38 o 31.56808 9.423926 56.41850       31.33242 36.14000       46.35242 73.48000       42.51705 28.34145 11.23398 35.31690 11.06317 -6.975449      15.76692 
1 1 1 -5  24 39 o 75.94976 8.005017 312.1000       58.61669 312.1000       58.61669 0.000000       0.000000 75.94976 8.005017 ?        ?        ?              ?        
1 1 1 -5  24 40 o 25.07240 9.452533 30.20297       31.62193 -2.366000      45.64890 60.25000       43.84591 22.70327 10.12457 32.20165 11.27441 -9.498377      15.15320 
1 1 1 -5  24 41 o 20.60328 9.377027 -12.24000      41.50516 0.000000       0.000000 -12.24000      41.50516 ?        ?        20.60328 9.377027 ?              ?        
1 1 1 -5  24 42 o 22.43008 9.086177 18.40584       31.01410 19.24000       45.30189 17.67000       42.54861 25.13539 10.64619 24.45216 10.33535 0.6832237      14.83782 
1 1 1 -5  24 43 o 22.91266 9.026913 22.45967       29.76249 46.07000       42.78847 0.3294000      41.42563 28.98153 10.98001 21.83409 9.696420 7.147446       14.64859 
1 1 1 -5  24 44 o 21.73762 8.856258 16.97621       29.66262 -43.17000      42.27019 75.33000       41.63557 17.74668 8.503312 34.78284 10.95519 -17.03617      13.86804 
1 1 1 -5  24 45 o 21.77658 8.907040 17.31721       30.14794 29.21000       43.16357 5.989000       42.12658 25.82360 10.62054 22.42546 9.876734 3.398138       14.50330 
1 1 1 -5  24 46 o 43.74149 8.191712 109.1480       33.78452 106.4000       49.19918 111.6000       46.47423 40.11164 11.76711 41.70363 11.16407 -1.591988      16.22040 
1 1 1 -5  24 47 o 38.04493 9.097870 85.86841       33.42176 74.52000       47.23104 97.25000       47.30004 33.83058 11.71029 38.46981 11.60064 -4.639229      16.48350 
1 1 1 -5  24 48 o 21.82096 8.935682 18.01967       30.38665 6.187000       43.86158 28.94000       42.13671 22.59982 10.01007 25.43839 10.48102 -2.838570      14.49321 
1 1 1 -5  24 49 o 32.37890 11.63789 68.19000       46.98817 68.19000       46.98817 0.000000       0.000000 32.37890 11.63789 ?        ?        ?              ?        
1 1 1 -5  24 50 o 54.66668 6.911408 163.7397       36.15729 174.7000       52.71198 154.0000       49.68999 53.03000 10.52652 49.67696 10.54546 3.353046       14.90015 
1 1 1 -5  24 51 o 18.85713 8.901995 -27.52000      42.98507 0.000000       0.000000 -27.52000      42.98507 ?        ?        18.85713 8.901995 ?              ?        
1 1 1 -5  24 52 o 28.96648 11.23325 50.77000       45.49536 50.77000       45.49536 0.000000       0.000000 28.96648 11.23325 ?        ?        ?              ?        
1 1 1 -5  24 53 o 22.60520 9.091210 23.44999       30.80150 92.26000       44.14138 -41.85000      43.00081 36.89913 11.22347 17.58505 8.464807 19.31408       14.05771 
1 1 1 -5  24 54 o 20.85962 8.758294 15.31415       30.23101 17.65000       42.23476 12.86000       43.29101 23.14389 10.04707 22.68900 10.00178 0.4548893      14.17672 
1 1 1 -5  25 1  o 72.80551 3.571439 260.5659       25.37385 265.0000       58.53044 259.5397       28.15730 72.71776 8.375924 72.62339 3.976202 0.9436798E-01  9.271801 
1 1 1 -5  25 2  o 176.6266 3.940977 1530.604       68.13437 1772.000       150.5096 1468.384       76.41231 189.1115 8.150060 172.8737 4.519609 16.23784       9.319353 
1 1 1 -5  25 3  o 169.9823 3.849097 1417.492       64.04259 1654.000       142.6612 1357.800       71.67009 182.7264 7.995597 166.2453 4.408247 16.48116       9.130291 
1 1 1 -5  25 4  o 98.39751 3.265177 475.2025       31.40474 620.7000       75.74599 445.0000       34.51066 111.9643 6.945724 95.17529 3.711557 16.78905       7.875197 
1 1 1 -5  25 5  o 178.6959 3.959351 1566.909       69.25400 1662.000       145.8126 1539.210       78.69668 183.0874 8.156844 176.9780 4.546642 6.109436       9.338419 
1 1 1 -5  25 6  o 115.6608 3.270349 656.4302       36.98709 719.1000       81.99963 640.4225       41.44252 120.5159 6.981108 114.1972 3.712462 6.318680       7.906848 
1 1 1 -5  25 7  o 209.1503 5.089584 2150.605       104.1950 2071.000       178.8154 2191.528       128.2100 204.0843 8.973296 210.8061 6.220248 -6.721756      10.91840 
1 1 1 -5  25 8  o 78.18047 5.362678 302.0746       40.78946 292.4000       59.05648 310.9000       56.40485 76.45174 8.010561 78.98290 7.381361 -2.531166      10.89282 
1 1 1 -5  25 9  o 84.66091 5.180761 353.8339       42.72659 364.0000       63.04848 345.2000       58.10307 85.45338 7.617480 83.28259 7.198109 2.170784       10.48040 
1 1 1 -5  25 10 o 160.9298 5.337788 1275.865       83.96586 0.000000       0.000000 1275.865       83.96586 ?        ?        160.9298 5.337788 ?              ?        
1 1 1 -5  25 11 o 158.1322 4.232045 1229.122       65.44648 0.000000       0.000000 1229.122       65.44648 ?        ?        158.1322 4.232045 ?              ?        
1 1 1 -5  25 12 o 92.73558 4.334878 423.4886       39.23974 448.1000       69.35305 411.9000       47.58958 94.82595 7.533803 91.30796 5.348139 3.517990       9.239090 
1 1 1 -5  25 13 o 96.63344 3.246909 458.6185       30.66808 576.1000       74.36335 434.5423       33.66423 107.6582 7.096338 94.01402 3.665242 13.64417       7.986990 
1 1 1 -5  25 14 o 207.4497 4.361176 2115.957       88.55696 2312.000       190.8067 2062.135       99.97703 215.0190 9.086376 204.6485 4.990977 10.37057       10.36687 
1 1 1 -5  25 15 o 82.24614 4.139369 333.3717       33.21678 345.5000       61.52256 328.3817       39.46291 83.05212 7.653976 81.50163 4.970345 1.550491       9.126208 
1 1 1 -5  25 16 o 54.09450 3.373628 144.2206       17.77417 151.5000       52.80641 143.2905       18.87554 53.99531 10.36818 53.89308 3.598786 0.1022263      10.97499 
1 1 1 -5  25 17 o 126.7659 3.287798 789.5718       40.76121 820.5000       91.64162 781.9440       45.51095 128.2392 7.331271 126.0870 3.691536 2.152130       8.208225 
1 1 1 -5  25 18 o 84.67303 3.891436 353.3837       32.16611 369.8000       64.29852 347.9040       37.14871 85.74738 7.744179 83.90535 4.540134 1.842026       8.976922 
1 1 1 -5  25 19 o 78.44675 4.540253 304.4218       34.71375 396.3000       63.52251 265.3000       41.45062 88.82745 7.372261 72.94824 5.854213 15.87920       9.413928 
1 1 1 -5  25 20 o 106.1431 5.068949 558.2166       52.51207 549.0000       75.62046 566.8000       72.97665 104.5287 7.439532 106.3569 7.049688 -1.828270      10.24913 
1 1 1 -5  25 21 o 134.8378 5.196567 901.4397       68.45745 930.7000       99.36192 875.0000       94.45155 136.0773 7.488685 131.9997 7.339105 4.077652       10.48536 
1 1 1 -5  25 22 o 109.8711 5.053112 599.0798       54.19810 593.5000       77.95623 604.3000       75.40292 108.5136 7.383372 109.6341 7.064051 -1.120445      10.21837 
1 1 1 -5  25 23 o 53.16893 6.948836 143.9326       35.29940 113.3000       50.72366 172.7000       49.15506 45.78229 11.37056 57.63039 9.008585 -11.84809      14.50669 
1 1 1 -5  25 24 o 54.70607 10.15691 159.0000       52.38622 159.0000       52.38622 0.000000       0.000000 54.70607 10.15691 ?        ?        ?              ?        
1 1 1 -5  25 25 o 26.29799 10.86861 15.10000       45.49818 15.10000       45.49818 0.000000       0.000000 26.29799 10.86861 ?        ?        ?              ?        
1 1 1 -5  25 26 o 69.08353 5.778830 240.1589       38.71925 243.1000       55.65393 237.4000       53.90264 68.45610 8.487398 67.71819 8.305737 0.7379074      11.87524 
1 1 1 -5  25 27 o 123.8854 7.248434 780.6000       87.51230 0.000000       0.000000 780.6000       87.51230 ?        ?        123.8854 7.248434 ?              ?        
1 1 1 -5  25 28 o 38.66770 11.60194 82.26000       47.39774 0.000000       0.000000 82.26000       47.39774 ?        ?        38.66770 11.60194 ?              ?        
1 1 1 -5  25 29 o 64.78740 6.130193 213.1800       38.41269 212.7000       56.23182 213.6000       52.59760 63.24686 9.365850 63.74345 8.653171 -0.4965820     12.75133 
1 1 1 -5  25 30 o 131.6168 5.210485 867.8972       66.99411 897.4000       97.58854 841.6000       92.13448 132.1573 7.575734 128.1279 7.377556 4.029480       10.57450 
1 1 1 -5  25 31 o 41.38810 8.515305 91.94959       33.34552 72.66000       48.45744 109.3000       45.95722 36.34567 11.85651 44.27010 10.72085 -7.924423      15.98479 
1 1 1 -5  25 32 o 29.10124 9.679935 44.02952       32.24275 -14.65000      46.63178 97.78000       44.63031 22.36100 10.08135 41.70494 10.83596 -19.34394      14.80039 
1 1 1 -5  25 33 f 57.97229 6.370729 173.1052       35.55560 178.4000       51.27187 168.2000       49.34961 57.23312 9.484050 55.58657 9.405097 1.646545       13.35676 
1 1 1 -5  25 34 o 51.31253 7.168895 138.4659       35.02518 62.68000       48.75359 219.3000       50.35120 33.81653 11.88491 64.13840 8.208076 -30.32188      14.44381 
1 1 1 -5  25 35 o 29.73948 9.713676 48.26162       32.51978 -13.64000      47.26647 103.9000       44.81149 22.24517 10.07778 42.33414 10.78533 -20.08898      14.76093 
1 1 1 -5  25 36 o 35.70836 9.258218 72.28336       32.62622 60.61000       47.71954 82.53000       44.70842 32.81099 11.73588 37.28643 11.28582 -4.475445      16.28191 
1 1 1 -5  25 37 o 52.34518 6.833164 145.0716       34.17601 135.3000       50.38258 153.4000       46.51331 47.81720 10.99440 52.16170 9.458213 -4.344501      14.50292 
1 1 1 -5  25 38 o 57.06036 9.746259 185.6000       52.48187 185.6000       52.48187 0.000000       0.000000 57.06036 9.746259 ?        ?        ?              ?        
1 1 1 -5  25 39 o 91.45681 5.196306 428.3513       46.32616 478.8000       68.01778 384.7000       63.26976 94.60513 7.404107 84.42242 7.742676 10.18271       10.71307 
1 1 1 -5  25 40 o 27.72583 10.79813 37.77000       42.17871 0.000000       0.000000 37.77000       42.17871 ?        ?        27.72583 10.79813 ?              ?        
1 1 1 -5  25 41 o 43.54497 8.117124 105.8576       33.32513 117.3000       49.25814 96.20000       45.25378 43.36749 11.44076 39.36836 11.20723 3.999126       16.01540 
1 1 1 -5  25 42 o 44.55136 7.861933 110.3688       33.03151 95.09000       46.90565 125.4000       46.52391 38.73018 11.52286 45.38586 10.65586 -6.655685      15.69470 
1 1 1 -5  25 43 o 39.80284 8.514719 90.75242       32.17014 124.2000       46.24547 59.39000       44.78077 44.98741 10.66532 31.36959 11.34992 13.61783       15.57465 
1 1 1 -5  25 44 o 37.08400 8.895128 80.81482       31.87268 92.71000       46.09784 69.92000       44.11693 37.78640 11.46462 33.16957 11.32362 4.616829       16.11403 
1 1 1 -5  25 45 o 32.52667 9.556996 64.13981       32.43174 66.48000       47.46196 62.09000       44.41983 32.25615 11.68282 31.46542 11.31464 0.7907238      16.26374 
1 1 1 -5  25 46 o 49.08900 7.608735 134.5040       35.37736 201.9000       51.94503 76.20000       48.31432 58.58597 9.374145 34.04973 11.84066 24.53624       15.10218 
1 1 1 -5  25 47 o 23.29627 9.185548 25.40583       30.84016 -5.210000      44.25555 54.31000       43.00065 21.36466 9.707578 29.81521 11.06681 -8.450548      14.72112 
1 1 1 -5  25 48 o 23.93616 10.33927 16.87000       44.27943 16.87000       44.27943 0.000000       0.000000 23.93616 10.33927 ?        ?        ?              ?        
1 1 1 -5  25 49 o 21.82806 9.002422 17.67959       31.12745 13.36000       44.89036 21.68000       43.20002 23.55838 10.29054 24.40405 10.36880 -0.8456650     14.60847 
1 1 1 -5  25 50 o 53.48735 10.10804 176.2000       50.98190 0.000000       0.000000 176.2000       50.98190 ?        ?        53.48735 10.10804 ?              ?        
1 1 1 -5  25 51 o 42.34715 8.180823 103.8433       32.68247 88.05000       45.29250 121.0000       47.20691 36.17236 11.43057 42.96224 11.13519 -6.789879      15.95776 
1 1 1 -5  25 52 o 39.71905 8.644351 94.11224       32.65099 99.32000       46.67116 89.12000       45.69526 38.00785 11.53650 36.00193 11.49372 2.005924       16.28485 
1 1 1 -5  25 53 o 19.39631 9.067292 -17.29000      42.73492 -17.29000      42.73492 0.000000       0.000000 19.39631 9.067292 ?        ?        ?              ?        
1 1 1 -5  25 54 o 22.63930 9.094148 25.26353       30.78257 33.79000       42.98751 16.29000       44.10006 25.30884 10.52141 23.05161 10.13063 2.257229       14.60581 
1 1 1 -5  26 1  o 170.3240 3.868382 1423.887       64.49283 1417.000       130.5758 1426.109       74.17125 168.9621 7.917293 170.3200 4.452833 -1.357925      9.083570 
1 1 1 -5  26 2  o 87.09021 3.395715 372.5943       28.89174 428.8000       64.28754 358.3692       32.34186 92.88358 7.125422 85.35955 3.881006 7.524025       8.113806 
1 1 1 -5  26 3  o 229.6021 4.728201 2591.303       106.2620 2981.000       234.2894 2490.379       119.2307 244.3264 9.816598 224.9343 5.415345 19.39212       11.21122 
1 1 1 -5  26 4  o 154.7153 3.658719 1174.604       55.40750 1373.000       123.3255 1124.430       62.01926 166.3797 7.592638 151.2548 4.193053 15.12486       8.673513 
1 1 1 -5  26 5  o 153.8171 3.637781 1161.027       54.77058 1327.000       120.5607 1117.864       61.48130 163.5582 7.550934 150.8111 4.168890 12.74716       8.625326 
1 1 1 -5  26 6  o 113.9778 3.840913 638.4480       42.78978 671.7000       80.28475 625.2546       50.57110 116.3420 7.083590 112.6914 4.594276 3.650627       8.443022 
1 1 1 -5  26 7  o 169.1103 5.567680 1410.361       92.03609 1430.000       132.4031 1392.000       128.0247 169.6039 7.997998 167.3826 7.835820 2.221313       11.19679 
1 1 1 -5  26 8  o 82.74043 4.168502 337.1747       33.65137 394.2000       64.00266 315.3872       39.56099 88.91226 7.421744 79.88983 5.085455 9.022430       8.996897 
1 1 1 -5  26 9  o 67.74452 5.420327 227.5322       35.64268 0.000000       0.000000 227.5322       35.64268 ?        ?        67.74452 5.420327 ?              ?        
1 1 1 -5  26 10 o 45.26074 7.406972 104.1135       31.68069 0.000000       0.000000 104.1135       31.68069 ?        ?        45.26074 7.406972 ?              ?        
1 1 1 -5  26 11 o 128.3580 3.400345 809.2801       42.68443 968.2000       98.09640 772.1633       47.40771 139.5546 7.205695 125.3103 3.869695 14.24427       8.179032 
1 1 1 -5  26 12 o 121.4711 4.502843 727.0504       53.44579 0.000000       0.000000 727.0504       53.44579 ?        ?        121.4711 4.502843 ?              ?        
1 1 1 -5  26 13 o 78.28561 3.813093 301.8821       29.13113 284.3000       64.69547 306.3536       32.62577 74.86156 9.009851 78.80446 4.245315 -3.942902      9.959925 
1 1 1 -5  26 14 o 28.70067 5.696582 42.11157       15.43858 31.34000       47.87764 43.36158       16.30980 29.88610 11.54154 29.09645 5.928155 0.7896423      12.97498 
1 1 1 -5  26 15 o 130.8798 3.376137 842.0145       43.21518 809.5000       92.12553 851.1877       48.93299 127.2631 7.427852 131.5140 3.805225 -4.250900      8.345820 
1 1 1 -5  26 16 o 128.1597 4.024217 809.1974       50.41975 744.7000       88.81297 839.8699       61.24620 121.9509 7.476138 130.3861 4.807127 -8.435204      8.888257 
1 1 1 -5  26 17 o 73.87447 3.082449 268.5214       22.24033 248.1000       58.01873 272.0390       24.07975 69.71475 8.690506 74.32643 3.318171 -4.611679      9.302427 
1 1 1 -5  26 18 o 52.15956 3.374602 134.3220       17.13663 178.3000       53.12840 129.2153       18.10427 58.58963 9.595917 51.11694 3.642207 7.472687       10.26388 
1 1 1 -5  26 19 o 75.35802 3.038338 279.5120       22.36559 267.2000       59.14985 281.5659       24.15924 72.28725 8.523275 75.60072 3.272510 -3.313461      9.129926 
1 1 1 -5  26 20 o 77.27581 5.542981 297.9781       41.64844 229.1000       58.57612 368.4000       59.22889 66.52467 9.245131 85.45161 7.146595 -18.92694      11.68530 
1 1 1 -5  26 21 f 78.95824 5.464302 311.1807       41.97118 370.2000       61.94815 261.1000       57.06456 85.46036 7.480910 71.35786 8.326214 14.10249       11.19329 
1 1 1 -5  26 22 o 54.36416 6.851550 150.5620       35.65118 155.4000       52.42568 146.4000       48.62529 54.01280 10.29176 52.57191 9.810093 1.440887       14.21824 
1 1 1 -5  26 23 o 77.21217 7.922452 305.7000       59.02749 305.7000       59.02749 0.000000       0.000000 77.21217 7.922452 ?        ?        ?              ?        
1 1 1 -5  26 24 o 77.32546 7.927520 307.2000       59.15345 307.2000       59.15345 0.000000       0.000000 77.32546 7.927520 ?        ?        ?              ?        
1 1 1 -5  26 25 o 89.94847 5.219364 404.6254       45.75601 340.7000       63.40346 474.1000       66.09818 81.29562 8.074426 96.56797 7.041168 -15.27235      10.71328 
1 1 1 -5  26 26 o 68.40716 8.313121 243.5000       54.52237 0.000000       0.000000 243.5000       54.52237 ?        ?        68.40716 8.313121 ?              ?        
1 1 1 -5  26 27 o 63.00706 6.455372 202.4025       39.24998 109.0000       54.92192 299.9000       56.11296 43.94004 12.29077 76.26372 7.618765 -32.32367      14.46059 
1 1 1 -5  26 28 o 58.50961 6.627316 175.4429       37.28760 102.8000       52.10408 251.7000       53.38450 42.68348 11.98287 69.55828 7.985449 -26.87480      14.39988 
1 1 1 -5  26 29 o 61.39927 6.531015 193.1186       38.64937 137.1000       54.71656 248.9000       54.60056 49.35061 11.53525 68.92981 8.256603 -19.57920      14.18568 
1 1 1 -5  26 30 o 93.68711 5.180518 441.3313       47.32223 415.0000       67.42086 466.9000       66.43745 89.36266 7.785471 95.22465 7.180740 -5.861992      10.59134 
1 1 1 -5  26 31 o 62.99861 6.181615 203.1131       37.62855 126.3000       52.78172 282.5000       53.65872 47.01825 11.55280 73.64936 7.550054 -26.63111      13.80110 
1 1 1 -5  26 32 o 70.33659 5.691585 252.0259       38.85062 202.7000       54.44474 303.2000       55.45535 60.99573 9.422350 76.10561 7.543395 -15.10988      12.06994 
1 1 1 -5  26 33 o 86.88434 5.230914 382.6161       44.28016 312.6000       61.63535 457.3000       63.65678 76.47942 8.369924 93.78571 6.984432 -17.30629      10.90128 
1 1 1 -5  26 34 o 97.41306 5.143373 481.5588       48.86857 491.7000       70.73792 472.3000       67.59064 96.49550 7.549314 94.74726 7.345423 1.748238       10.53316 
1 1 1 -5  26 35 o 48.52761 7.428746 126.3784       34.16552 148.5000       49.86179 106.8000       46.90806 50.70838 10.39515 42.33146 11.16312 8.376923       15.25367 
1 1 1 -5  26 36 o 67.62154 5.662975 235.8301       37.13920 231.1000       54.25803 240.0000       50.94400 64.71820 8.792244 66.61753 7.970663 -1.899330      11.86739 
1 1 1 -5  26 37 o 38.73252 11.23427 91.20000       45.06977 91.20000       45.06977 0.000000       0.000000 38.73252 11.23427 ?        ?        ?              ?        
1 1 1 -5  26 38 o 31.37325 9.502540 56.82453       31.68823 33.96000       46.88001 76.06000       42.99896 27.68000 11.18614 35.41354 11.13028 -7.733541      15.78014 
1 1 1 -5  26 39 o 67.05593 8.326439 248.2000       53.47796 0.000000       0.000000 248.2000       53.47796 ?        ?        67.05593 8.326439 ?              ?        
1 1 1 -5  26 40 o 35.08482 9.310339 72.05589       32.49912 120.7000       47.93976 30.69000       44.20811 44.25682 11.09007 26.59158 10.82001 17.66524       15.49394 
1 1 1 -5  26 41 o 28.77465 9.503070 47.77072       31.09035 6.145000       43.01789 93.29000       44.98482 22.82842 10.01991 38.50607 11.23960 -15.67765      15.05747 
1 1 1 -5  26 42 o 13.85611 6.735586 -42.84918      28.95782 -58.92000      40.91548 -26.72000      40.98970 16.25173 7.923888 18.76185 8.805804 -2.510117      11.84610 
1 1 1 -5  26 43 o 26.74566 9.431888 40.55204       30.72426 26.11000       44.23785 54.01000       42.70407 25.44082 10.63227 29.99466 11.04742 -4.553843      15.33267 
1 1 1 -5  26 44 o 22.67896 9.155128 21.48963       31.36387 32.09000       45.78861 12.12000       43.04851 26.39741 10.90586 23.24286 10.11615 3.154551       14.87529 
1 1 1 -5  26 45 o 44.54587 8.107162 113.0646       34.04757 171.3000       50.31695 63.88000       46.24183 53.20272 10.02992 31.72900 11.52599 21.47372       15.27900 
1 1 1 -5  26 46 o 22.28904 9.072298 20.09074       31.09215 65.84000       44.51195 -23.50000      43.44919 31.97448 11.34546 19.39272 9.090492 12.58176       14.53811 
1 1 1 -5  26 47 o 37.65429 11.62415 95.16000       47.12751 95.16000       47.12751 0.000000       0.000000 37.65429 11.62415 ?        ?        ?              ?        
1 1 1 -5  26 48 o 25.76038 9.540153 36.99791       31.92220 54.95000       47.16259 21.82000       43.36566 29.87393 11.47639 24.41344 10.38132 5.460491       15.47512 
1 1 1 -5  26 49 o 27.44451 10.99550 41.73000       44.87638 0.000000       0.000000 41.73000       44.87638 ?        ?        27.44451 10.99550 ?              ?        
1 1 1 -5  26 50 o 39.07788 8.709643 90.71821       32.46325 135.4000       46.73269 49.05000       45.12923 46.15062 10.57263 28.62406 11.16330 17.52656       15.37530 
1 1 1 -5  26 51 o 24.22037 9.246959 31.61353       30.49198 23.79000       43.31397 39.30000       42.93290 24.35407 10.36627 26.65139 10.72808 -2.297327      14.91815 
1 1 1 -5  26 52 o 20.07656 8.586058 10.90189       29.96532 14.79000       41.97493 6.861000       42.79161 22.75603 9.945191 21.91249 9.785192 0.8435364      13.95195 
1 1 1 -5  26 53 o 24.84046 9.391074 35.60479       31.26140 34.24000       44.12648 36.98000       44.29461 25.54410 10.64283 25.96366 10.72654 -0.4195595     15.11054 
1 1 1 -5  27 1  o 117.3308 3.355181 676.1255       38.49356 735.3000       83.69221 660.2486       43.35110 121.6483 7.058987 115.8825 3.827123 5.765831       8.029705 
1 1 1 -5  27 2  o 157.6088 3.722754 1219.812       57.43161 1298.000       120.8788 1197.017       65.26894 161.5339 7.666930 155.9876 4.278788 5.546295       8.780082 
1 1 1 -5  27 3  o 95.08409 3.269702 444.1584       30.38615 500.4000       68.74123 430.5002       33.87542 100.2687 7.048903 93.55814 3.706441 6.710594       7.963964 
1 1 1 -5  27 4  o 84.82994 3.366503 353.7358       27.89787 382.3000       62.33940 346.5827       31.19604 87.49908 7.346458 83.91492 3.807915 3.584160       8.274701 
1 1 1 -5  27 5  o 130.4471 3.953385 836.8891       50.42061 875.2000       92.99437 820.9376       60.00626 132.6667 7.188095 129.0553 4.758374 3.611343       8.620373 
1 1 1 -5  27 6  o 109.1939 3.257237 585.6813       34.77510 613.4000       76.44184 578.4478       39.04984 111.0115 7.071649 108.4616 3.683558 2.549873       7.973507 
1 1 1 -5  27 7  o 181.4313 4.002943 1617.987       71.08824 1804.000       154.8441 1568.311       80.01946 190.0400 8.344560 178.4468 4.585013 11.59326       9.521240 
1 1 1 -5  27 8  o 120.9261 3.767378 719.1983       44.53847 0.000000       0.000000 719.1983       44.53847 ?        ?        120.9261 3.767378 ?              ?        
1 1 1 -5  27 9  o 29.58851 5.952491 44.79949       16.64182 0.000000       0.000000 44.79949       16.64182 ?        ?        29.58851 5.952491 ?              ?        
1 1 1 -5  27 10 o 46.24215 5.888402 107.3975       26.04902 144.5000       52.42719 95.23551       30.01626 52.59540 10.55098 43.18605 7.364749 9.409351       12.86712 
1 1 1 -5  27 11 o 45.53816 6.135385 104.4885       26.65273 186.2000       54.16566 78.38377       30.61555 60.14666 9.516706 38.88710 8.296278 21.25956       12.62521 
1 1 1 -5  27 12 o 63.50865 3.482343 198.7976       21.56480 263.5000       57.12212 188.0434       23.28810 72.11446 8.240108 61.70887 3.875059 10.40560       9.105793 
1 1 1 -5  27 13 o 135.3135 4.780642 904.5428       63.21943 977.5000       101.4331 858.2000       80.84193 139.7585 7.441555 131.3427 6.306601 8.415848       9.754483 
1 1 1 -5  27 14 o 10.88418 5.071660 -12.22534      13.19593 0.000000       0.000000 -12.22534      13.19593 ?        ?        10.88418 5.071660 ?              ?        
1 1 1 -5  27 15 o 95.80975 3.546893 452.1698       33.20578 478.3000       69.64112 444.4811       37.77656 97.53220 7.348826 94.89236 4.076609 2.639832       8.403809 
1 1 1 -5  27 16 o 115.2770 3.184804 653.7286       35.90172 649.1000       79.73756 654.9056       40.20785 113.6776 7.203126 115.3057 3.566782 -1.628059      8.037846 
1 1 1 -5  27 17 o 32.42489 4.427978 52.85746       13.68689 99.40000       47.12888 48.57048       14.30335 43.04773 11.11006 30.96887 4.879868 12.07886       12.13452 
1 1 1 -5  27 18 o 195.8440 4.930117 1900.759       94.43399 1800.000       162.0981 1952.525       116.1867 188.0170 8.832634 197.9025 6.004841 -9.885529      10.68052 
1 1 1 -5  27 19 o 62.34812 4.920107 193.8346       29.78327 275.1000       55.88680 161.6000       35.19796 73.38817 7.904457 56.49238 6.482657 16.89579       10.22278 
1 1 1 -5  27 20 o 86.92743 5.256711 376.9699       44.51872 312.3000       61.09140 450.2000       65.00903 78.05237 8.114583 94.31768 7.093631 -16.26531      10.77804 
1 1 1 -5  27 21 o 73.74148 5.642003 272.8614       40.41483 268.5000       57.56789 277.1000       56.75125 72.13094 8.305069 73.41071 8.028630 -1.279770      11.55132 
1 1 1 -5  27 22 o 61.60033 9.266384 199.6000       54.14363 199.6000       54.14363 0.000000       0.000000 61.60033 9.266384 ?        ?        ?              ?        
1 1 1 -5  27 23 o 89.65918 5.213767 402.0659       45.55907 446.7000       66.37292 362.3000       62.64877 93.57893 7.303955 84.03028 7.702355 9.548645       10.61480 
1 1 1 -5  27 24 o 54.03699 7.057730 150.3053       36.43909 79.81000       51.47814 221.1000       51.58734 38.24076 12.19835 65.16134 8.274439 -26.92058      14.73995 
1 1 1 -5  27 25 o 118.8500 7.373336 722.6000       85.35427 0.000000       0.000000 722.6000       85.35427 ?        ?        118.8500 7.373336 ?              ?        
1 1 1 -5  27 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  27 27 o 70.74080 5.929328 253.7480       40.67907 253.8000       58.71888 253.7000       56.40844 69.31595 8.856462 69.51796 8.463984 -0.2020111     12.25055 
1 1 1 -5  27 28 o 119.3728 5.145329 715.3174       59.97962 679.1000       84.61211 751.9000       85.03748 114.6418 7.582816 120.9498 7.215686 -6.308029      10.46734 
1 1 1 -5  27 29 o 22.25978 9.120972 12.64777       31.68434 6.217000       46.77573 18.10000       43.07014 24.83521 10.67618 25.72553 10.59761 -0.8903198     15.04294 
1 1 1 -5  27 30 o 87.92987 5.272950 390.5117       45.17483 433.6000       67.36497 355.3000       60.89724 91.17560 7.617862 82.47571 7.629837 8.699890       10.78175 
1 1 1 -5  27 31 o 45.44430 7.870119 110.5569       33.74058 117.2000       49.07112 104.6000       46.46799 45.05775 11.17984 42.60127 11.05076 2.456478       15.71967 
1 1 1 -5  27 32 o 65.88237 5.954260 223.3134       37.98348 193.1000       53.68432 253.6000       53.74923 59.00529 9.626625 68.85706 8.131434 -9.851768      12.60128 
1 1 1 -5  27 33 o 21.29390 8.871736 10.71720       30.66076 -30.37000      44.68214 47.28000       42.15028 19.87287 9.284006 29.98081 10.98672 -10.10795      14.38405 
1 1 1 -5  27 34 o 25.89494 9.343852 33.98689       30.32438 23.29000       45.10461 42.81000       40.96406 26.12100 10.81093 28.85780 10.78394 -2.736801      15.26989 
1 1 1 -5  27 35 o 20.44028 8.656926 7.597180       29.95033 17.70000       42.96686 -1.951000      41.77078 24.83230 10.43480 21.96587 9.746840 2.866434       14.27886 
1 1 1 -5  27 36 o 18.94106 8.871573 -28.60000      41.24002 -28.60000      41.24002 0.000000       0.000000 18.94106 8.871573 ?        ?        ?              ?        
1 1 1 -5  27 37 o 48.64403 7.287746 127.9914       33.63291 122.5000       49.22378 132.8000       46.06176 44.76301 11.24927 47.51641 10.20804 -2.753399      15.19046 
1 1 1 -5  27 38 o 19.90909 9.124916 -15.03000      40.21046 0.000000       0.000000 -15.03000      40.21046 ?        ?        19.90909 9.124916 ?              ?        
1 1 1 -5  27 39 o 20.55393 8.696345 9.294665       30.17342 9.474000       44.34056 9.140000       41.17804 23.57627 10.26398 22.92676 9.936863 0.6495132      14.28603 
1 1 1 -5  27 40 o 18.71371 8.253763 -0.7923211     29.51809 -22.14000      42.07412 19.90000       41.42326 19.49505 9.074621 24.37659 10.24462 -4.881542      13.68580 
1 1 1 -5  27 41 o 23.09036 9.119390 23.52050       30.44268 18.93000       43.17321 28.06000       42.93271 24.40638 10.36753 25.71281 10.58532 -1.306429      14.81670 
1 1 1 -5  27 42 o 23.86580 9.217537 27.88496       30.53989 10.06000       43.54510 45.14000       42.84330 23.11423 10.11497 28.31541 10.92243 -5.201181      14.88664 
1 1 1 -5  27 43 o 21.52172 8.926409 15.83655       30.84132 -6.620000      44.39700 36.78000       42.87521 21.28355 9.691125 26.78453 10.74191 -5.500978      14.46743 
1 1 1 -5  27 44 o 21.32129 8.878892 14.88679       30.68892 42.37000       44.45289 -10.14000      42.41983 27.83175 11.01107 20.49951 9.386812 7.332237       14.46914 
1 1 1 -5  27 45 o 22.07974 9.087779 18.55667       31.63563 1.930000       45.21638 34.50000       44.27747 22.26971 9.993082 26.42480 10.79965 -4.155096      14.71374 
1 1 1 -5  27 46 o 21.76494 9.792652 0.2244000      43.74469 0.2244000      43.74469 0.000000       0.000000 21.76494 9.792652 ?        ?        ?              ?        
1 1 1 -5  27 47 o 48.59335 7.596273 132.9620       34.94915 155.0000       51.68773 114.4000       47.43660 49.16809 11.01385 41.61370 11.33927 7.554386       15.80771 
1 1 1 -5  27 48 o 19.84400 8.690859 4.704443       32.20375 -61.90000      47.19197 62.75000       44.05559 17.32968 8.462664 31.09393 11.25662 -13.76426      14.08290 
1 1 1 -5  27 49 o 23.05250 9.169134 25.07775       30.98069 60.11000       44.56630 -7.683000      43.09724 30.52771 11.27834 20.66440 9.461996 9.863314       14.72176 
1 1 1 -5  27 50 o 45.87644 7.668483 120.3374       33.22090 134.4000       47.00254 106.3000       46.96037 45.47357 10.73350 39.37955 11.48069 6.094021       15.71669 
1 1 1 -5  27 51 o 26.46202 9.440825 42.40908       30.86059 6.935000       42.64539 81.41000       44.71507 21.88350 9.770610 34.11396 11.40066 -12.23047      15.01466 
1 1 1 -5  27 52 o 31.57788 9.457770 63.83702       31.51846 73.35000       44.23847 54.03000       44.91695 32.25103 11.32227 28.65594 11.14800 3.595095       15.88936 
1 1 1 -5  28 1  o 105.8071 3.315326 550.2779       34.29343 615.6000       75.76730 533.4483       38.45823 111.1140 7.001981 104.1072 3.780280 7.006760       7.957277 
1 1 1 -5  28 2  o 147.4109 3.601964 1067.739       51.97268 1231.000       114.8561 1025.702       58.28082 157.0761 7.491892 144.3318 4.129564 12.74428       8.554633 
1 1 1 -5  28 3  o 144.7869 4.152161 1032.309       58.78421 1084.000       107.3509 1010.171       70.25326 147.3727 7.466202 143.0202 5.026185 4.352463       9.000373 
1 1 1 -5  28 4  o 192.6568 4.851277 1831.214       91.41154 1944.000       166.3169 1782.396       109.4208 196.8030 8.654896 189.7058 5.899854 7.097183       10.47452 
1 1 1 -5  28 5  f 122.9989 3.979567 744.9859       47.84883 854.2000       90.42992 702.5191       56.38939 130.8692 7.085838 119.2616 4.840542 11.60764       8.581372 
1 1 1 -5  28 6  o 88.41091 3.278891 384.4409       28.32605 355.0000       65.51647 391.2094       31.41385 83.89951 8.077549 89.14095 3.607745 -5.241447      8.846616 
1 1 1 -5  28 7  o 33.67379 5.576350 57.53016       17.73740 0.000000       0.000000 57.53016       17.73740 ?        ?        33.67379 5.576350 ?              ?        
1 1 1 -5  28 8  o 38.33791 4.642486 73.51592       17.06701 159.5000       52.58112 63.39028       18.04397 55.32359 10.08118 35.42101 5.372724 19.90258       11.42350 
1 1 1 -5  28 9  o 85.11874 4.109228 357.6195       34.13554 520.9000       69.12379 304.9576       39.25623 102.0308 6.963069 78.39057 5.144526 23.64020       8.657394 
1 1 1 -5  28 10 o 65.15776 3.415434 209.2863       21.70697 334.2000       59.21278 189.8928       23.33125 81.42638 7.513937 61.99232 3.864194 19.43406       8.449333 
1 1 1 -5  28 11 o 53.09227 5.403117 140.9717       27.68822 235.4000       55.56678 109.7819       31.93522 67.86839 8.554151 46.34520 7.279459 21.52319       11.23228 
1 1 1 -5  28 12 o 59.69694 3.589854 175.9898       20.87968 156.5000       54.01395 179.4138       22.63960 54.47196 10.51120 60.23519 3.860148 -5.763229      11.19759 
1 1 1 -5  28 13 o 118.1408 3.320910 686.9910       38.36473 712.2000       85.19189 680.5781       42.96833 118.9922 7.350190 117.4980 3.740810 1.494240       8.247361 
1 1 1 -5  28 14 o 15.36973 6.127051 6.146842       13.86409 65.23000       47.44981 0.6320015      14.49670 35.76356 11.73658 14.18035 6.014980 21.58321       13.18815 
1 1 1 -5  28 15 o 91.16982 3.184425 409.3309       28.37402 351.5000       63.69849 423.6460       31.69183 83.12338 7.924670 92.69317 3.499241 -9.569786      8.662856 
1 1 1 -5  28 16 o 127.8077 3.743233 805.9943       46.77803 0.000000       0.000000 805.9943       46.77803 ?        ?        127.8077 3.743233 ?              ?        
1 1 1 -5  28 17 o 106.2034 4.753649 560.0820       49.29124 555.1000       73.77082 564.1000       66.25068 104.7439 7.239858 105.9623 6.417611 -1.218452      9.674775 
1 1 1 -5  28 18 o 75.72164 3.124250 282.7414       23.10672 209.0000       55.36876 298.2925       25.42671 63.19025 9.223575 77.73653 3.349492 -14.54629      9.812922 
1 1 1 -5  28 19 o 62.45170 3.120810 192.5385       19.01689 299.2000       56.15004 178.7188       20.21135 76.45546 7.603684 60.10454 3.449929 16.35092       8.349731 
1 1 1 -5  28 20 o 41.91167 8.838494 93.43206       35.11592 80.57000       48.58553 107.5000       50.81208 38.50367 11.78741 44.12014 11.61057 -5.616467      16.54534 
1 1 1 -5  28 21 o 40.95822 11.73312 92.72000       49.44845 92.72000       49.44845 0.000000       0.000000 40.95822 11.73312 ?        ?        ?              ?        
1 1 1 -5  28 22 o 81.98124 5.387664 337.3659       42.99397 315.8000       61.25970 358.3000       60.35569 78.07359 8.135325 83.56414 7.457182 -5.490547      11.03599 
1 1 1 -5  28 23 o 96.71745 7.280932 479.0000       68.42228 0.000000       0.000000 479.0000       68.42228 ?        ?        96.71745 7.280932 ?              ?        
1 1 1 -5  28 24 o 29.32339 11.29298 35.95000       45.74675 0.000000       0.000000 35.95000       45.74675 ?        ?        29.32339 11.29298 ?              ?        
1 1 1 -5  28 25 o 117.5817 5.172132 693.1729       59.38158 617.7000       82.04583 776.2000       86.05395 109.3976 7.711417 123.1055 7.172526 -13.70795      10.53143 
1 1 1 -5  28 26 o 31.71664 9.785084 54.15923       33.40115 40.86000       48.01447 66.63000       46.49491 30.33261 11.59791 35.01723 11.62338 -4.684628      16.41995 
1 1 1 -5  28 27 o 59.58307 6.578356 182.7594       37.72802 247.1000       56.11993 129.7000       50.96304 68.29105 8.584751 47.96176 11.07875 20.32930       14.01559 
1 1 1 -5  28 28 o 63.38395 6.220582 205.9614       38.09716 175.6000       53.54031 237.1000       54.22120 56.49161 10.05099 66.81789 8.481107 -10.32629      13.15110 
1 1 1 -5  28 29 o 59.42129 6.409125 182.4270       36.68855 152.7000       52.64413 210.5000       51.15863 51.95988 10.70714 62.65483 8.565816 -10.69495      13.71189 
1 1 1 -5  28 30 o 39.20409 8.694538 84.67683       32.48996 77.18000       46.58000 91.78000       45.34054 36.50405 11.59887 39.70161 11.18955 -3.197563      16.11644 
1 1 1 -5  28 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  28 32 o 75.05514 5.575025 289.3613       40.66502 254.3000       56.81111 326.2000       58.23330 68.08730 8.724572 78.08225 7.720196 -9.994957      11.64987 
1 1 1 -5  28 33 o 56.86465 6.376102 169.5347       34.87931 110.0000       48.66906 232.4000       50.01195 42.61526 11.43199 65.53640 7.959205 -22.92113      13.92980 
1 1 1 -5  28 34 f 37.61681 11.37499 86.22000       45.43282 86.22000       45.43282 0.000000       0.000000 37.61681 11.37499 ?        ?        ?              ?        
1 1 1 -5  28 35 o 20.52179 8.712006 7.845767       30.45377 -7.143000      41.93005 24.58000       44.30424 21.27316 9.578011 25.90826 10.71796 -4.635098      14.37404 
1 1 1 -5  28 36 o 23.49714 9.175330 24.04184       30.51807 4.028000       44.01574 42.57000       42.35054 22.98514 10.11050 28.54325 10.89763 -5.558107      14.86542 
1 1 1 -5  28 37 o 43.75251 10.86631 116.8000       46.32494 0.000000       0.000000 116.8000       46.32494 ?        ?        43.75251 10.86631 ?              ?        
1 1 1 -5  28 38 o 23.07681 9.041045 23.36237       29.71246 37.90000       42.13596 8.984000       41.90452 27.45015 10.76294 23.01403 9.999064 4.436123       14.69089 
1 1 1 -5  28 39 o 34.86673 9.129871 71.50597       31.52068 46.07000       44.45200 97.23000       44.70301 28.92104 11.13359 39.28925 11.12349 -10.36820      15.73813 
1 1 1 -5  28 40 o 63.83133 6.052645 215.7481       37.36501 221.9000       53.76221 210.0000       51.96767 61.93409 9.142873 60.28457 9.089121 1.649525       12.89202 
1 1 1 -5  28 41 o 41.36738 8.343348 98.58910       32.61637 62.09000       46.38034 134.3000       45.87682 31.41118 11.52256 46.69683 10.31270 -15.28564      15.46354 
1 1 1 -5  28 42 o 24.39903 9.366460 30.44661       31.39967 6.166000       44.44585 54.64000       44.36594 22.67494 10.05819 29.90435 11.21299 -7.229410      15.06314 
1 1 1 -5  28 43 o 19.13098 8.412982 1.810177       30.45810 5.748000       43.74823 -1.894000      42.43051 22.50581 9.981277 21.36654 9.626216 1.139275       13.86686 
1 1 1 -5  28 44 o 25.60783 9.499533 36.39415       31.67502 18.28000       43.97813 55.92000       45.65968 24.01560 10.33825 30.00670 11.34832 -5.991098      15.35135 
1 1 1 -5  28 45 o 35.67388 11.63970 86.01000       46.70033 86.01000       46.70033 0.000000       0.000000 35.67388 11.63970 ?        ?        ?              ?        
1 1 1 -5  28 46 o 45.39259 11.04309 133.5000       48.59082 0.000000       0.000000 133.5000       48.59082 ?        ?        45.39259 11.04309 ?              ?        
1 1 1 -5  28 47 o 24.91809 9.507927 33.60126       32.22554 46.28000       46.55730 21.94000       44.65010 28.19046 11.23124 24.43471 10.46606 3.755754       15.35184 
1 1 1 -5  28 48 f 23.07069 9.128668 25.60259       30.55685 21.17000       43.12965 30.07000       43.29868 24.08185 10.29995 25.37597 10.55520 -1.294119      14.74792 
1 1 1 -5  28 49 o 40.06674 8.517532 95.52201       32.37455 104.5000       45.69083 86.47000       45.87880 39.18430 11.29527 35.30100 11.53808 3.883301       16.14653 
1 1 1 -5  28 50 o 24.79640 9.310751 35.18267       30.61254 8.403000       43.25734 62.05000       43.32808 22.13350 9.864088 30.33941 11.13571 -8.205906      14.87630 
1 1 1 -5  28 51 o 20.34347 8.656278 13.13144       30.18509 24.97000       41.98918 0.4704000      43.42327 23.89732 10.19030 21.10581 9.600095 2.791512       14.00015 
1 1 1 -5  29 1  o 162.0217 4.332830 1295.176       68.65326 1345.000       125.0206 1273.665       82.14735 163.6374 7.828057 160.3716 5.240144 3.265747       9.420063 
1 1 1 -5  29 2  o 88.61655 3.890215 387.3672       33.66163 409.5000       64.97965 379.2491       39.35374 90.20686 7.424891 87.54263 4.608853 2.664238       8.739023 
1 1 1 -5  29 3  o 50.63720 4.815499 127.7648       23.58111 167.3000       51.39913 117.2248       26.53893 56.73382 9.597563 48.30117 5.724482 8.432655       11.17510 
1 1 1 -5  29 4  o 82.19141 3.303078 332.6135       26.51954 364.2000       61.79643 325.4833       29.36057 84.98996 7.505351 81.24170 3.701877 3.748260       8.368643 
1 1 1 -5  29 5  o 48.96573 4.582903 119.3673       21.71019 0.000000       0.000000 119.3673       21.71019 ?        ?        48.96573 4.582903 ?              ?        
1 1 1 -5  29 6  o 159.2479 4.255748 1251.510       66.27753 0.000000       0.000000 1251.510       66.27753 ?        ?        159.2479 4.255748 ?              ?        
1 1 1 -5  29 7  o 58.80976 3.628366 170.8691       20.78485 212.8000       53.82159 163.5196       22.53288 64.34509 8.773766 57.46220 4.031745 6.882896       9.655772 
1 1 1 -5  29 8  o 24.39553 6.450309 30.72529       15.63516 38.69000       47.12737 29.74021       16.57386 30.72939 11.54945 24.06738 6.758885 6.662012       13.38179 
1 1 1 -5  29 9  o 51.72726 3.833054 132.5508       19.26965 82.86000       49.53214 141.4126       20.91744 39.51947 11.86093 53.40428 4.031300 -13.88480      12.52729 
1 1 1 -5  29 10 o 110.9394 3.269237 605.9630       35.46210 642.1000       78.47305 596.6895       39.75269 112.9583 7.133787 109.9949 3.697478 2.963409       8.035065 
1 1 1 -5  29 11 o 43.40315 4.255984 93.89351       17.84900 137.2000       49.89372 87.53783       19.11395 50.78675 10.38730 41.79758 4.756409 8.989170       11.42451 
1 1 1 -5  29 12 o 64.80639 4.646230 208.8676       29.27745 221.7000       55.22112 203.8500       34.53013 65.47854 8.841619 63.79375 5.586168 1.684792       10.45846 
1 1 1 -5  29 13 o 66.41022 3.361762 217.7193       21.78177 215.8000       54.07677 218.0909       23.79765 64.54679 8.787082 66.41148 3.675204 -1.864693      9.524701 
1 1 1 -5  29 14 o 51.26929 4.143649 130.7303       20.61737 134.4000       50.41623 129.9933       22.59289 49.98273 10.63210 51.03574 4.570983 -1.053013      11.57305 
1 1 1 -5  29 15 o 59.52203 3.786496 175.5948       21.94644 134.6000       51.51374 184.6855       24.25802 49.84161 10.86624 60.98732 4.087182 -11.14571      11.60949 
1 1 1 -5  29 16 o 36.20932 4.175798 65.71331       14.52938 117.4000       47.85615 60.46529       15.24917 46.45673 10.73900 34.62143 4.614629 11.83530       11.68850 
1 1 1 -5  29 17 o 34.19091 4.171074 58.69843       13.67073 115.4000       47.38970 53.55154       14.27771 46.00710 10.72247 32.54103 4.611538 13.46607       11.67209 
1 1 1 -5  29 18 o 73.83199 3.333033 269.3812       24.02531 0.000000       0.000000 269.3812       24.02531 ?        ?        73.83199 3.333033 ?              ?        
1 1 1 -5  29 19 o 25.51967 5.635493 33.82595       13.70051 14.54000       46.92242 35.62339       14.32473 26.34370 10.97531 26.18051 5.747724 0.1631927      12.38926 
1 1 1 -5  29 20 o 88.81000 7.631639 405.7000       65.69891 405.7000       65.69891 0.000000       0.000000 88.81000 7.631639 ?        ?        ?              ?        
1 1 1 -5  29 21 o 92.68358 5.223766 430.7996       47.19884 347.3000       63.63654 532.9000       70.36847 81.82587 8.049379 102.1153 7.084054 -20.28941      10.72270 
1 1 1 -5  29 22 o 33.58721 11.65500 58.61000       46.79902 0.000000       0.000000 58.61000       46.79902 ?        ?        33.58721 11.65500 ?              ?        
1 1 1 -5  29 23 o 85.85281 5.444941 371.2583       45.52087 353.5000       65.24619 388.1000       63.54016 82.30811 8.207845 86.66821 7.565778 -4.360107      11.16287 
1 1 1 -5  29 24 o 37.79332 9.254139 78.05064       33.95542 92.37000       49.00778 64.83000       47.09005 40.35888 11.71738 34.66296 11.70055 5.695927       16.55898 
1 1 1 -5  29 25 o 60.95042 6.590751 191.2362       38.69568 175.1000       55.13501 206.9000       54.32196 56.33776 10.38057 62.04406 9.225043 -5.706295      13.88732 
1 1 1 -5  29 26 o 104.3771 5.208516 548.9130       53.04578 488.8000       73.92995 612.7000       76.15569 96.71758 7.877397 108.9102 7.183893 -12.19261      10.66122 
1 1 1 -5  29 27 o 48.25299 7.762236 123.8628       35.41883 103.4000       50.35512 143.9000       49.82860 42.10882 11.76510 50.61171 10.40604 -8.502888      15.70679 
1 1 1 -5  29 28 o 64.03483 6.065379 211.0183       37.56405 176.0000       52.91287 246.6000       53.33685 56.16936 9.990141 67.97190 8.180902 -11.80254      12.91240 
1 1 1 -5  29 29 o 55.01672 6.753162 158.6997       35.60514 104.1000       49.46609 217.4000       51.28996 41.81739 11.65236 63.38036 8.480039 -21.56298      14.41140 
1 1 1 -5  29 30 o 64.74828 5.957797 216.8983       37.33593 204.5000       53.01315 229.1000       52.59133 60.69105 9.212954 64.84212 8.489837 -4.151066      12.52820 
1 1 1 -5  29 31 o 31.15335 9.414831 55.14058       31.13044 17.19000       45.04113 89.85000       43.07484 25.18084 10.63808 38.80912 10.89526 -13.62828      15.22746 
1 1 1 -5  29 32 o 42.24899 7.928928 98.12614       31.58566 100.5000       45.35134 95.89000       44.01630 40.81726 11.07268 39.94527 10.93845 0.8719978      15.56451 
1 1 1 -5  29 33 o 29.08369 11.06066 44.41000       43.51938 44.41000       43.51938 0.000000       0.000000 29.08369 11.06066 ?        ?        ?              ?        
1 1 1 -5  29 34 o 25.55413 9.367662 33.48019       30.64665 53.79000       42.71751 11.94000       43.99241 30.68332 11.08758 23.99297 10.33434 6.690351       15.15694 
1 1 1 -5  29 35 o 52.57433 10.15084 162.4000       50.34578 0.000000       0.000000 162.4000       50.34578 ?        ?        52.57433 10.15084 ?              ?        
1 1 1 -5  29 36 o 35.86213 9.108759 75.00637       32.03057 51.17000       46.09645 97.26000       44.53977 30.09907 11.39811 39.54492 11.07079 -9.445850      15.88960 
1 1 1 -5  29 37 f 19.78007 8.436027 7.135324       28.78506 -33.24000      39.08714 54.98000       42.54932 17.73079 8.405413 30.53049 11.06114 -12.79970      13.89243 
1 1 1 -5  29 38 o 34.97772 8.881574 71.50430       30.45886 67.80000       42.00932 75.61000       44.22685 33.04211 11.05049 34.58094 11.33000 -1.538830      15.82663 
1 1 1 -5  29 39 o 34.63812 9.094478 71.27724       31.22187 72.99000       42.75327 69.32000       45.70295 33.85684 11.14215 32.96196 11.51279 0.8948822      16.02161 
1 1 1 -5  29 40 o 33.48461 9.432125 67.99732       32.22589 78.17000       46.06879 58.25000       45.09537 34.47447 11.57268 30.64515 11.34087 3.829325       16.20316 
1 1 1 -5  29 41 o 25.13680 9.396134 34.25437       31.10352 37.10000       44.26860 31.48000       43.71075 26.84011 10.86170 25.91340 10.67568 0.9267063      15.22980 
1 1 1 -5  29 42 o 20.13801 8.602612 9.069434       30.01974 11.15000       43.13954 7.116000       41.80076 23.02680 10.07244 22.28116 9.824815 0.7456417      14.07058 
1 1 1 -5  29 43 o 24.81371 9.444681 32.82580       31.74842 19.39000       44.07177 47.32000       45.77474 24.13678 10.36929 28.48208 11.20285 -4.345306      15.26519 
1 1 1 -5  29 44 o 45.58250 8.161859 119.7740       35.07878 169.5000       50.18836 72.28000       49.04903 52.36660 10.15794 32.76555 11.87524 19.60105       15.62706 
1 1 1 -5  29 45 o 27.12706 10.89720 40.15000       44.20027 0.000000       0.000000 40.15000       44.20027 ?        ?        27.12706 10.89720 ?              ?        
1 1 1 -5  29 46 o 21.36231 8.938334 15.76232       31.32026 -6.678000      44.77113 37.27000       43.83089 21.06428 9.644684 26.52250 10.78048 -5.458220      14.46509 
1 1 1 -5  29 47 o 21.26850 8.824285 16.59195       30.15355 -34.58000      42.04410 70.79000       43.26941 17.94638 8.566752 32.54635 11.21102 -14.59996      14.10944 
1 1 1 -5  29 48 o 35.02204 9.135746 75.73678       31.64024 99.07000       44.29127 51.42000       45.21514 38.19363 11.15381 28.63759 11.17239 9.556038       15.78701 
1 1 1 -5  29 49 o 20.42257 8.653244 13.28501       29.94696 -4.106000      41.85849 31.52000       42.86213 20.46074 9.352230 25.10216 10.47632 -4.641417      14.04342 
1 1 1 -5  29 50 o 32.17273 9.356840 66.32920       31.22661 74.64000       43.62871 57.60000       44.71344 32.41226 11.25297 29.13176 11.17873 3.280504       15.86170 
1 1 1 -5  30 1  o 72.72354 4.169435 261.8839       29.55523 278.0000       57.09397 255.9843       34.54381 73.81268 8.031657 71.72599 4.950624 2.086685       9.434839 
1 1 1 -5  30 2  o 111.4441 3.900329 613.1429       42.48098 604.4000       77.32759 616.9221       50.83992 109.4912 7.256149 111.5805 4.665191 -2.089340      8.626454 
1 1 1 -5  30 3  o 62.04822 3.681431 190.3472       22.25849 299.0000       55.72404 169.7201       24.27954 76.75604 7.513036 58.47165 4.271649 18.28439       8.642494 
1 1 1 -5  30 4  o 57.84352 4.113749 165.9549       23.13957 0.000000       0.000000 165.9549       23.13957 ?        ?        57.84352 4.113749 ?              ?        
1 1 1 -5  30 5  o 42.72862 5.015331 91.68595       20.57725 0.000000       0.000000 91.68595       20.57725 ?        ?        42.72862 5.015331 ?              ?        
1 1 1 -5  30 6  o 70.77709 3.387891 247.1792       23.40268 299.8000       56.31376 236.1942       25.72972 76.78831 7.591496 69.10611 3.818599 7.682198       8.497795 
1 1 1 -5  30 7  o 107.3197 3.982501 569.1902       41.76261 642.0000       78.08356 540.0170       49.42613 112.8244 7.106608 104.2832 4.855452 8.541130       8.606934 
1 1 1 -5  30 8  o 52.52750 3.817814 136.8140       19.49544 149.5000       50.41956 134.5839       21.13967 53.05936 10.07640 52.02689 4.186423 1.032463       10.91146 
1 1 1 -5  30 9  o 56.15042 3.655097 156.1173       19.97981 193.2000       51.36349 149.5059       21.68789 60.93567 8.871772 54.86694 4.067239 6.068729       9.759650 
1 1 1 -5  30 10 f 63.55745 3.479710 199.6920       21.56531 211.2000       53.65850 197.4751       23.55104 63.72347 8.840461 63.13633 3.828873 0.5871353      9.634003 
1 1 1 -5  30 11 o 44.30751 4.231503 97.98809       18.12912 157.9000       49.45803 88.68865       19.48537 54.59935 9.604819 42.00578 4.826680 12.59358       10.74939 
1 1 1 -5  30 12 o 86.64032 4.155490 372.2690       35.13828 372.1000       63.25119 372.3444       42.25928 85.30338 7.656600 86.39032 5.019090 -1.086945      9.155042 
1 1 1 -5  30 13 o 78.96912 4.242367 309.6891       32.67192 291.4000       59.45428 317.6016       39.10585 75.11758 8.220082 79.74065 5.035930 -4.623070      9.640038 
1 1 1 -5  30 14 o 92.81839 3.220589 425.1125       29.21576 419.0000       66.57742 426.5703       32.51350 90.49519 7.585895 92.88778 3.582729 -2.392593      8.389382 
1 1 1 -5  30 15 o 52.93523 4.018180 139.4718       20.66446 106.5000       49.46776 146.4418       22.74398 43.86576 11.41346 54.17878 4.324625 -10.31302      12.20530 
1 1 1 -5  30 16 o 80.60406 3.165010 320.7772       24.92259 305.4000       60.81156 323.8814       27.32260 76.75291 8.222399 80.92565 3.457255 -4.172737      8.919667 
1 1 1 -5  30 17 o 89.13726 3.090595 392.1644       26.92465 411.5000       65.02730 388.1637       29.57929 89.52079 7.489636 88.59793 3.417220 0.9228592      8.232378 
1 1 1 -5  30 18 o 40.25860 4.144992 81.21419       16.10069 191.8000       50.02913 68.43723       17.00540 60.29846 8.730092 36.75558 4.844531 23.54288       9.984186 
1 1 1 -5  30 19 o 54.31080 3.334686 146.2191       17.64202 163.7000       51.24252 143.8685       18.79079 55.00534 9.880559 53.81701 3.587620 1.188328       10.51173 
1 1 1 -5  30 20 o 75.61506 8.241705 298.8000       60.01408 0.000000       0.000000 298.8000       60.01408 ?        ?        75.61506 8.241705 ?              ?        
1 1 1 -5  30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  30 22 o 55.91155 6.931959 161.8962       37.12505 161.7000       52.01587 162.1000       53.00356 54.26711 10.16596 54.22464 10.36392 0.4246521E-01  14.51749 
1 1 1 -5  30 23 o 39.88467 9.106968 86.98337       34.77003 89.64000       49.28075 84.35000       49.06445 39.61235 11.81724 38.51785 11.85530 1.094498       16.73903 
1 1 1 -5  30 24 o 66.40777 6.183691 225.8932       39.73314 209.0000       56.09724 242.9000       56.28551 62.02380 9.545753 67.46259 8.728038 -5.438793      12.93445 
1 1 1 -5  30 25 o 51.51961 7.416497 140.0241       36.32437 94.03000       51.31983 186.2000       51.42116 40.08989 12.08228 58.43581 9.301405 -18.34592      15.24788 
1 1 1 -5  30 26 o 17.65331 8.094392 -17.15850      31.68530 -57.27000      45.42846 20.84000       44.21573 18.07056 8.699012 26.01233 10.72890 -7.941769      13.81239 
1 1 1 -5  30 27 o 30.42658 9.663700 51.24801       32.33658 45.52000       46.89630 56.44000       44.64815 30.23868 11.48603 32.07692 11.36466 -1.838234      16.15811 
1 1 1 -5  30 28 o 69.76939 5.806369 250.8370       39.29389 247.1000       55.84974 254.5000       55.29434 67.24200 8.688320 68.45422 8.430147 -1.212212      12.10596 
1 1 1 -5  30 29 o 77.64042 5.463707 309.4344       41.25719 247.2000       57.34795 376.2000       59.39904 66.77404 9.003325 84.17326 7.280918 -17.39922      11.57893 
1 1 1 -5  30 30 o 45.11005 7.514241 110.3918       32.01252 116.8000       46.67535 104.7000       43.98904 44.22508 10.86248 41.93457 10.68717 2.290508       15.23841 
1 1 1 -5  30 31 o 61.37738 6.161745 197.2657       36.51824 197.0000       53.34298 197.5000       50.09874 58.77099 9.604142 59.43848 8.883091 -0.6674843     13.08239 
1 1 1 -5  30 32 o 62.45171 9.307462 221.2000       55.16088 221.2000       55.16088 0.000000       0.000000 62.45171 9.307462 ?        ?        ?              ?        
1 1 1 -5  30 33 o 34.23965 9.392634 68.47118       32.42178 76.09000       46.20300 61.08000       45.50756 35.07791 11.58474 32.10476 11.46321 2.973145       16.29758 
1 1 1 -5  30 34 o 56.40439 9.750576 184.9000       51.88628 0.000000       0.000000 184.9000       51.88628 ?        ?        56.40439 9.750576 ?              ?        
1 1 1 -5  30 35 o 34.79499 9.349152 71.47569       32.51818 77.23000       45.21407 65.31000       46.80235 35.01799 11.45472 32.59682 11.62666 2.421169       16.32145 
1 1 1 -5  30 36 o 19.58060 8.400146 6.139633       28.84670 -9.935000      38.68180 26.28000       43.29819 19.87469 9.048169 25.52634 10.58102 -5.651649      13.92219 
1 1 1 -5  30 37 o 43.18138 7.832034 104.6432       31.88503 118.8000       44.34480 89.49000       45.87881 43.95918 10.45854 37.23570 11.46457 6.723484       15.51829 
1 1 1 -5  30 38 o 22.31704 8.934008 21.10396       29.60192 -2.285000      41.05904 46.42000       42.71705 21.10935 9.493367 28.48917 10.92780 -7.379822      14.47553 
1 1 1 -5  30 39 o 43.71606 8.048141 109.0805       33.16979 99.16000       46.56474 119.3000       47.26134 38.73586 11.47003 42.97765 11.14283 -4.241791      15.99138 
1 1 1 -5  30 40 o 20.95967 8.788154 13.68046       30.37267 0.4727000      43.31177 26.46000       42.60386 21.72682 9.762408 24.98977 10.43820 -3.262947      14.29198 
1 1 1 -5  30 41 o 66.67897 5.922509 236.5026       38.25285 219.7000       53.33632 254.3000       54.89265 61.01038 9.218506 66.31680 8.663306 -5.306416      12.65044 
1 1 1 -5  30 42 o 32.62262 11.37875 70.29000       44.63624 70.29000       44.63624 0.000000       0.000000 32.62262 11.37875 ?        ?        ?              ?        
1 1 1 -5  30 43 o 22.01779 8.978025 19.90839       30.51511 53.06000       43.19511 -13.12000      43.11476 29.27645 11.04545 20.14991 9.312260 9.126535       14.44715 
1 1 1 -5  30 44 f 28.88223 11.11693 50.90000       44.31421 0.000000       0.000000 50.90000       44.31421 ?        ?        28.88223 11.11693 ?              ?        
1 1 1 -5  30 45 o 48.39754 7.555343 132.8351       34.62291 114.7000       49.57732 150.1000       48.37326 40.77003 11.76998 48.57187 10.48237 -7.801838      15.76110 
1 1 1 -5  30 46 o 37.34212 8.978636 84.63162       32.41302 108.5000       46.28413 61.66000       45.40634 40.08900 11.30770 30.61931 11.37086 9.469690       16.03623 
1 1 1 -5  30 47 o 18.45782 8.164251 1.625273       29.07976 -42.64000      39.86229 51.98000       42.51584 16.69341 8.064040 28.62160 10.92099 -11.92819      13.57559 
1 1 1 -5  30 48 o 20.73660 8.696412 15.52231       29.75126 17.08000       41.22939 13.83000       42.97411 22.82062 9.916580 22.65638 9.977123 0.1642342      14.06704 
1 1 1 -5  30 49 o 20.00407 8.612697 11.00848       30.53156 -2.334000      42.74938 24.90000       43.62008 20.61527 9.433571 23.96880 10.30683 -3.353527      13.97222 
1 1 1 -5  31 1  o 103.9505 3.774852 534.1058       38.34519 622.5000       75.40551 503.2752       44.53304 110.9509 6.978650 100.6825 4.530395 10.26842       8.320218 
1 1 1 -5  31 2  o 71.66891 3.509863 253.8666       24.54733 252.7000       55.53737 254.1498       27.36552 69.98882 8.266133 71.62305 3.918341 -1.634224      9.147806 
1 1 1 -5  31 3  o 33.74661 6.393097 58.89201       20.34490 0.000000       0.000000 58.89201       20.34490 ?        ?        33.74661 6.393097 ?              ?        
1 1 1 -5  31 4  o 134.8155 4.009430 899.2370       52.85011 0.000000       0.000000 899.2370       52.85011 ?        ?        134.8155 4.009430 ?              ?        
1 1 1 -5  31 5  o 58.14719 3.778036 167.6636       21.38668 259.4000       54.30360 150.8226       23.26711 70.99859 7.950357 55.01545 4.356206 15.98314       9.065578 
1 1 1 -5  31 6  o 81.97043 3.301826 331.6919       26.43796 405.9000       63.18635 315.9432       29.10845 89.27678 7.294196 79.90185 3.732137 9.374931       8.193542 
1 1 1 -5  31 7  o 30.37658 5.876500 47.66201       16.84099 33.77000       46.50572 49.75871       18.06724 29.36740 11.36588 30.98442 6.174074 -1.617014      12.93455 
1 1 1 -5  31 8  o 95.47263 3.258541 449.7878       30.40684 525.5000       70.89803 432.7224       33.65969 101.6572 7.171100 93.53500 3.683662 8.122154       8.061889 
1 1 1 -5  31 9  o 60.66544 3.538534 182.2556       20.92095 220.9000       53.14518 175.1688       22.75854 65.11353 8.544445 59.38688 3.937375 5.726643       9.408000 
1 1 1 -5  31 10 o 25.98118 6.015143 35.17170       14.99506 108.1000       45.93436 26.47299       15.86417 44.44459 10.68996 22.69566 6.688320 21.74893       12.60987 
1 1 1 -5  31 11 o 61.98416 3.617548 190.4246       21.85292 257.1000       54.04179 177.3909       23.89355 70.50594 7.970225 59.70679 4.113514 10.79914       8.969140 
1 1 1 -5  31 12 o 57.64777 3.646522 164.8690       20.47087 162.7000       51.94306 165.2679       22.27354 54.97900 10.02127 57.64570 3.971721 -2.666698      10.77963 
1 1 1 -5  31 13 o 21.42684 8.191531 17.35080       23.94975 -16.16000      43.31757 32.10454       28.74238 21.52540 9.709491 25.97641 9.125767 -4.451008      13.32493 
1 1 1 -5  31 14 o 25.61674 6.041628 34.30742       14.90145 67.71000       45.07437 30.20875       15.78925 35.43298 11.42561 24.04299 6.538057 11.38999       13.16399 
1 1 1 -5  31 15 o 69.01984 3.752043 236.4668       25.25293 193.0000       52.61056 249.4795       28.78582 60.21655 9.218813 70.78257 4.173280 -10.56602      10.11943 
1 1 1 -5  31 16 o 44.80858 4.636349 101.0359       20.04155 58.47000       46.01685 111.0000       22.26404 33.48726 11.56034 46.90893 4.922112 -13.42167      12.56458 
1 1 1 -5  31 17 o 15.27553 5.844398 8.304960       12.19753 -52.11000      42.43811 13.74525       12.73488 17.85430 8.545585 17.37770 6.076706 0.4766064      10.48587 
1 1 1 -5  31 18 o 41.85368 3.809595 87.51485       15.43612 87.79000       47.85167 87.48289       16.30791 39.48909 11.61036 41.79416 4.036532 -2.305077      12.29203 
1 1 1 -5  31 19 o 54.21342 3.926639 146.6133       20.69573 0.000000       0.000000 146.6133       20.69573 ?        ?        54.21342 3.926639 ?              ?        
1 1 1 -5  31 20 o 23.79443 10.36907 0.7302000      45.34687 0.000000       0.000000 0.7302000      45.34687 ?        ?        23.79443 10.36907 ?              ?        
1 1 1 -5  31 21 o 29.58699 9.970525 45.78570       34.19429 -27.80000      47.25037 126.7000       49.54743 21.12519 9.757903 47.35511 10.91336 -26.22992      14.63961 
1 1 1 -5  31 22 o 105.9159 7.521062 584.0000       77.46617 0.000000       0.000000 584.0000       77.46617 ?        ?        105.9159 7.521062 ?              ?        
1 1 1 -5  31 23 o 44.56152 11.30576 115.1000       49.38393 115.1000       49.38393 0.000000       0.000000 44.56152 11.30576 ?        ?        ?              ?        
1 1 1 -5  31 24 o 51.82051 7.191987 141.7450       35.49816 102.5000       49.94752 181.8000       50.46037 41.63831 11.74737 57.51850 9.278295 -15.88019      14.96955 
1 1 1 -5  31 25 o 16.08676 7.566180 -27.27882      30.54046 -12.31000      44.22067 -40.93000      42.22956 21.59872 9.769957 18.36180 8.713926 3.236912       13.09139 
1 1 1 -5  31 26 o 23.14688 9.285211 19.32685       32.04297 13.21000       45.37832 25.41000       45.25315 24.82893 10.59075 26.55125 10.89226 -1.722321      15.19228 
1 1 1 -5  31 27 o 54.02230 6.912011 154.9528       35.71349 93.21000       49.64054 221.2000       51.41942 38.95861 11.91241 63.50887 8.483539 -24.55026      14.62450 
1 1 1 -5  31 28 o 18.50838 8.179870 -3.017076      29.13312 30.02000       41.39188 -35.45000      41.01167 26.47031 10.57525 18.30831 8.658626 8.162006       13.66776 
1 1 1 -5  31 29 o 48.02064 7.220920 124.3670       32.89141 162.8000       48.81103 92.40000       44.51606 53.22541 9.727324 38.94220 11.12519 14.28320       14.77805 
1 1 1 -5  31 30 o 28.64178 11.22282 41.14000       45.78837 41.14000       45.78837 0.000000       0.000000 28.64178 11.22282 ?        ?        ?              ?        
1 1 1 -5  31 31 o 66.19136 8.990065 247.2000       56.74242 247.2000       56.74242 0.000000       0.000000 66.19136 8.990065 ?        ?        ?              ?        
1 1 1 -5  31 32 o 20.87336 8.759219 10.95736       30.21152 -6.615000      44.59802 25.86000       41.07070 21.77095 9.833159 25.40027 10.39346 -3.629318      14.30786 
1 1 1 -5  31 33 o 23.67320 10.07620 15.40000       40.92196 0.000000       0.000000 15.40000       40.92196 ?        ?        23.67320 10.07620 ?              ?        
1 1 1 -5  31 34 o 38.43621 8.717871 85.39775       32.04189 63.40000       44.44694 109.2000       46.23403 32.12692 11.34303 41.67942 11.12515 -9.552502      15.88815 
1 1 1 -5  31 35 o 63.85563 5.849842 214.6905       36.15783 187.2000       49.19124 247.0000       53.32880 56.87013 9.146979 66.16598 8.425002 -9.295849      12.43575 
1 1 1 -5  31 36 o 23.99322 9.101749 29.05838       29.42403 46.38000       40.35778 9.403000       42.99063 28.42993 10.68724 22.95195 10.04700 5.477978       14.66831 
1 1 1 -5  31 37 o 15.58103 7.333997 -22.41206      28.79340 12.98000       39.57231 -62.23000      41.97376 22.66310 9.781752 16.15565 7.908825 6.507456       12.57904 
1 1 1 -5  31 38 o 23.02015 9.087329 24.81257       30.21596 1.270000       41.23967 52.10000       44.39862 21.41259 9.580888 29.31706 11.16649 -7.904465      14.71339 
1 1 1 -5  31 39 o 43.16413 8.058853 106.9848       32.79695 136.4000       46.33102 77.44000       46.43294 46.66008 10.40906 34.00622 11.61686 12.65386       15.59808 
1 1 1 -5  31 40 o 21.55197 8.918039 17.02462       30.68377 33.94000       42.78084 -0.8955000     44.03305 26.05409 10.62791 21.63618 9.771635 4.417906       14.43736 
1 1 1 -5  31 41 o 26.58301 10.65452 37.81000       42.15334 37.81000       42.15334 0.000000       0.000000 26.58301 10.65452 ?        ?        ?              ?        
1 1 1 -5  31 42 o 29.11561 9.527115 51.96972       31.27602 76.80000       44.77956 28.32000       43.70206 33.76868 11.40988 25.19877 10.55197 8.569910       15.54121 
1 1 1 -5  31 43 o 21.57278 9.707791 1.165000       43.00977 0.000000       0.000000 1.165000       43.00977 ?        ?        21.57278 9.707791 ?              ?        
1 1 1 -5  31 44 o 33.10250 9.545942 68.69215       32.62811 104.8000       46.76392 34.44000       45.54640 39.13076 11.47023 26.10832 10.83988 13.02244       15.78192 
1 1 1 -5  31 45 o 19.17222 8.373099 4.908916       29.70832 23.50000       41.82603 -14.02000      42.20434 24.09949 10.21949 19.72219 9.148990 4.377304       13.71649 
1 1 1 -5  31 46 f 40.06720 8.418443 95.78831       31.96499 91.80000       44.78487 99.93000       45.63784 36.31398 11.35127 37.91163 11.38666 -1.597645      16.07817 
1 1 1 -5  31 47 o 23.72517 9.205468 30.79611       30.56475 19.44000       41.85591 43.77000       44.73805 23.15753 10.02765 26.95294 10.91487 -3.795414      14.82188 
1 1 1 -5  31 48 o 29.22777 9.480038 55.21752       31.00279 68.07000       43.17068 41.53000       44.55104 31.00810 11.15388 26.37467 10.81224 4.633438       15.53427 
1 1 1 -5  32 1  o 87.55741 3.818720 379.8307       32.64910 439.9000       65.33441 359.8372       37.69297 92.81812 7.248673 85.00026 4.546918 7.817863       8.556736 
1 1 1 -5  32 2  o 49.15855 5.476666 122.2124       25.90551 0.000000       0.000000 122.2124       25.90551 ?        ?        49.15855 5.476666 ?              ?        
1 1 1 -5  32 3  o 118.9449 3.397218 698.7705       39.51210 761.3000       85.97404 682.0268       44.48883 122.2426 7.217312 117.3482 3.878516 4.894447       8.193441 
1 1 1 -5  32 4  o 38.67313 5.164487 75.85758       19.06157 138.1000       48.46651 64.46823       20.73233 50.50142 10.15699 35.31822 6.224467 15.18320       11.91254 
1 1 1 -5  32 5  o 37.14016 5.115981 70.02220       18.10498 72.30000       47.42281 69.63356       19.58875 36.58297 11.71212 36.90858 5.597573 -0.3256149     12.98101 
1 1 1 -5  32 6  o 71.25475 3.402250 251.1873       23.66082 283.3000       56.59345 244.3852       26.04646 74.00101 7.936950 70.18628 3.805552 3.814728       8.802125 
1 1 1 -5  32 7  o 92.73506 3.302940 424.8955       29.93345 455.2000       66.92361 417.3167       33.46781 94.30016 7.307359 91.78316 3.733063 2.516998       8.205684 
1 1 1 -5  32 8  o 57.16405 3.765250 162.3640       20.95068 303.9000       55.30752 138.6522       22.63770 76.84949 7.445709 52.64776 4.434021 24.20174       8.665976 
1 1 1 -5  32 9  o 129.9177 3.425069 834.2980       43.51761 927.6000       94.75819 809.3601       48.98935 134.7558 7.210197 127.7638 3.921952 6.991989       8.207841 
1 1 1 -5  32 10 o 15.50231 6.168139 6.711999       14.02445 34.16000       42.61312 3.377858       14.85183 28.53770 10.92251 14.93354 6.194193 13.60416       12.55664 
1 1 1 -5  32 11 o 45.04272 4.289974 101.6627       18.68595 204.8000       49.52972 84.54697       20.17694 62.49152 8.302497 40.81551 5.165905 21.67601       9.778447 
1 1 1 -5  32 12 o 54.10892 3.837730 145.7740       20.19398 196.2000       51.01471 136.4044       21.99021 60.84084 8.823486 52.20636 4.342566 8.634483       9.834215 
1 1 1 -5  32 13 o 44.10551 4.169116 97.45431       17.78517 155.8000       48.64490 88.45171       19.10807 53.68332 9.610364 41.85433 4.747910 11.82899       10.71922 
1 1 1 -5  32 14 o 56.11626 5.153199 158.9382       27.98979 148.0000       50.70382 163.7324       33.56785 51.88463 10.34688 56.60484 6.157602 -4.720207      12.04052 
1 1 1 -5  32 15 o 85.00966 3.506483 358.1812       29.11474 381.7000       62.16829 351.5737       32.95169 85.90848 7.467207 84.05607 4.016622 1.852409       8.478940 
1 1 1 -5  32 16 o 49.19584 4.562594 121.7294       21.72049 84.06000       48.45916 131.2000       24.29797 38.54910 11.76643 50.97672 4.931080 -12.42763      12.75792 
1 1 1 -5  32 17 o 69.11742 3.195283 236.6199       21.55889 274.2000       56.32274 230.1686       23.33613 72.20679 8.108889 68.08186 3.513686 4.124931       8.837424 
1 1 1 -5  32 18 o 14.47390 5.861738 4.953593       12.90402 0.000000       0.000000 4.953593       12.90402 ?        ?        14.47390 5.861738 ?              ?        
1 1 1 -5  32 19 o 14.44839 5.771113 5.720706       12.32425 19.22000       46.25998 4.689384       12.78637 26.37873 10.93586 14.33757 5.824534 12.04117       12.39025 
1 1 1 -5  32 20 o 80.12471 5.523394 326.2201       43.05397 348.5000       60.46083 303.3000       61.32335 81.47279 7.671806 75.42895 8.450927 6.043839       11.41380 
1 1 1 -5  32 21 o 44.85390 8.158687 108.7240       34.50096 104.0000       47.49833 114.0000       50.19690 42.24720 11.27602 44.12132 11.50586 -1.874115      16.11004 
1 1 1 -5  32 22 o 43.35326 8.330268 102.5623       34.06558 144.5000       48.95126 63.18000       47.43645 50.44729 10.26304 33.57173 11.72887 16.87556       15.58513 
1 1 1 -5  32 23 o 62.73356 6.163350 204.0363       37.35820 240.2000       54.59832 172.2000       51.22757 66.45748 8.594271 55.30730 9.822520 11.15018       13.05157 
1 1 1 -5  32 24 o 90.19382 7.610510 433.5000       66.56242 0.000000       0.000000 433.5000       66.56242 ?        ?        90.19382 7.610510 ?              ?        
1 1 1 -5  32 25 o 38.38577 11.60246 89.93000       47.27539 89.93000       47.27539 0.000000       0.000000 38.38577 11.60246 ?        ?        ?              ?        
1 1 1 -5  32 26 o 23.76921 9.191746 24.85501       30.39718 3.989000       44.20605 43.57000       41.86557 23.17430 10.16497 28.89456 10.88007 -5.720261      14.88968 
1 1 1 -5  32 27 o 20.88629 8.741347 10.68710       29.96628 50.94000       44.17675 -23.62000      40.78375 30.31114 11.22339 19.25495 8.953219 11.05620       14.35704 
1 1 1 -5  32 28 o 20.65540 8.742531 8.854058       30.51361 0.4348000      44.05097 16.62000       42.30733 22.55278 10.00819 24.32194 10.29437 -1.769157      14.35751 
1 1 1 -5  32 29 o 28.89386 11.15268 44.05000       44.68930 44.05000       44.68930 0.000000       0.000000 28.89386 11.15268 ?        ?        ?              ?        
1 1 1 -5  32 30 o 41.97002 8.365621 99.39577       33.16041 93.60000       46.87882 105.2000       46.91301 38.54442 11.53208 41.04567 11.31371 -2.501251      16.15515 
1 1 1 -5  32 31 o 20.03642 9.188297 -14.10000      40.84621 0.000000       0.000000 -14.10000      40.84621 ?        ?        20.03642 9.188297 ?              ?        
1 1 1 -5  32 32 o 30.24510 11.07410 53.83000       42.80919 0.000000       0.000000 53.83000       42.80919 ?        ?        30.24510 11.07410 ?              ?        
1 1 1 -5  32 33 o 41.50156 8.025671 97.45424       31.42327 120.2000       44.49884 74.83000       44.37982 44.22546 10.44693 34.25605 11.35543 9.969410       15.42998 
1 1 1 -5  32 34 o 19.60531 8.386361 7.128931       28.59904 -1.109000      38.66527 17.08000       42.49588 20.80685 9.295762 23.92593 10.22840 -3.119081      13.82141 
1 1 1 -5  32 35 o 33.31703 9.144603 66.66624       30.72235 74.20000       42.30556 58.26000       44.68819 33.91709 11.07927 30.62746 11.29755 3.289627       15.82355 
1 1 1 -5  32 36 o 28.08792 9.408166 47.00203       30.44890 19.71000       41.68231 78.23000       44.58675 23.90101 10.17114 34.40642 11.38101 -10.50541      15.26367 
1 1 1 -5  32 37 o 26.19268 9.445185 39.46458       30.97961 -25.35000      42.33287 114.2000       45.45739 18.87922 8.888384 41.90836 10.95927 -23.02914      14.11059 
1 1 1 -5  32 38 o 18.99783 8.327389 2.894509       29.62281 -13.51000      40.60961 21.55000       43.30625 19.61818 9.056266 24.31601 10.35822 -4.697830      13.75895 
1 1 1 -5  32 39 o 20.52370 8.691937 11.98543       30.19122 8.142000       41.40268 16.35000       44.12047 22.13815 9.769160 23.62431 10.26216 -1.486158      14.16857 
1 1 1 -5  32 40 f 35.99192 11.33409 87.51000       44.56718 87.51000       44.56718 0.000000       0.000000 35.99192 11.33409 ?        ?        ?              ?        
1 1 1 -5  32 41 o 24.38831 9.325861 31.82017       31.04663 42.35000       44.16147 21.53000       43.65604 27.34077 10.92322 24.18238 10.35324 3.158388       15.05013 
1 1 1 -5  32 42 o 27.66893 10.98631 44.57000       44.40340 0.000000       0.000000 44.57000       44.40340 ?        ?        27.66893 10.98631 ?              ?        
1 1 1 -5  32 43 o 19.55353 8.513006 6.320703       30.50504 9.078000       43.01517 3.531000       43.26721 22.34561 9.904443 21.74083 9.763965 0.6047821      13.90802 
1 1 1 -5  32 44 o 31.38038 9.303829 61.42453       30.62163 79.18000       42.45427 42.17000       44.21012 34.13253 11.09525 27.07851 10.89121 7.054022       15.54745 
1 1 1 -5  32 45 o 56.82245 6.501293 178.0488       35.50961 168.4000       49.47491 188.3000       50.99595 51.33162 10.20625 54.75563 9.878191 -3.424011      14.20374 
1 1 1 -5  32 46 o 27.23007 9.448714 46.69543       30.75783 29.18000       42.55208 65.86000       44.51025 24.50586 10.34578 30.63639 11.27952 -6.130529      15.30564 
1 1 1 -5  32 47 o 22.25200 8.990814 24.40329       30.27826 45.53000       42.54667 2.725000       43.09851 26.87918 10.72738 21.13876 9.595041 5.740425       14.39241 
1 1 1 -5  33 1  f 68.24714 4.099516 231.9299       27.25942 0.000000       0.000000 231.9299       27.25942 ?        ?        68.24714 4.099516 ?              ?        
1 1 1 -5  33 2  o 49.84036 4.807714 124.9871       23.16375 68.72000       49.13989 141.0616       26.26489 35.70790 11.95175 52.87610 5.139456 -17.16821      13.00993 
1 1 1 -5  33 3  o 28.39557 7.258766 42.72622       20.25006 105.3000       47.02879 28.48402       22.43655 43.42423 11.04136 24.02583 8.076327 19.39840       13.67987 
1 1 1 -5  33 4  o 89.56755 3.373393 396.9373       29.52209 398.1000       65.43575 396.6401       33.08010 87.73810 7.697298 89.40744 3.788545 -1.669342      8.579130 
1 1 1 -5  33 5  o 74.02204 3.505396 271.5590       25.32613 261.0000       57.99146 274.0475       28.15276 70.42551 8.590090 74.25517 3.886895 -3.829659      9.428553 
1 1 1 -5  33 6  o 62.72916 3.666818 195.4556       22.41647 263.6000       56.38478 182.6630       24.43012 70.93037 8.276624 60.50856 4.149923 10.42181       9.258745 
1 1 1 -5  33 7  o 27.29591 6.436487 39.21762       16.91537 25.27000       45.38877 41.46723       18.22854 27.40524 11.03096 28.02251 6.730392 -0.6172771     12.92208 
1 1 1 -5  33 8  o 22.35316 6.693942 25.79453       15.78974 13.83000       43.41403 27.61845       16.95059 25.25528 10.54214 23.10307 6.939589 2.152206       12.62120 
1 1 1 -5  33 9  o 71.50631 3.403308 253.3787       23.75218 285.4000       55.65209 246.2466       26.26445 74.04562 7.795300 70.37527 3.827185 3.670349       8.684126 
1 1 1 -5  33 10 o 54.99725 3.661094 150.4617       19.59649 183.5000       51.20709 144.7930       21.21116 58.46286 9.256278 53.84816 4.054043 4.614708       10.10514 
1 1 1 -5  33 11 o 33.02544 5.446834 56.15658       16.99426 45.27000       45.23188 57.94593       18.33777 30.71497 11.35959 33.45340 5.810885 -2.738434      12.75957 
1 1 1 -5  33 12 o 32.51784 5.480478 54.55214       16.82445 117.5000       47.73304 45.62245       17.97823 45.71536 10.83391 29.43069 6.421734 16.28466       12.59414 
1 1 1 -5  33 13 o 88.81506 3.300571 390.7061       28.64348 373.1000       64.58183 395.0175       31.95877 84.45843 7.903786 89.17980 3.668984 -4.721375      8.713856 
1 1 1 -5  33 14 o 74.25264 5.199992 278.3961       37.55491 362.1000       60.49111 225.9000       47.90520 83.42032 7.487787 65.70824 7.587497 17.71207       10.66007 
1 1 1 -5  33 15 o 75.59947 3.272207 283.3089       24.15661 212.7000       56.41433 299.1621       26.73126 62.56534 9.510986 77.61041 3.528015 -15.04507      10.14425 
1 1 1 -5  33 16 o 63.44448 3.856811 200.8196       23.83812 195.4000       54.13777 202.1232       26.55054 59.80662 9.570493 63.50633 4.296495 -3.699711      10.49067 
1 1 1 -5  33 17 o 10.62283 4.917976 -9.569228      12.10339 0.000000       0.000000 -9.569228      12.10339 ?        ?        10.62283 4.917976 ?              ?        
1 1 1 -5  33 18 o 32.63842 9.505938 59.39544       32.20899 38.95000       44.56250 81.76000       46.60704 29.00554 11.15227 37.48988 11.55740 -8.484341      16.06071 
1 1 1 -5  33 19 o 58.11866 3.179769 167.8899       18.02020 248.6000       51.59213 156.6752       19.23144 68.33121 7.856404 56.03942 3.523841 12.29179       8.610490 
1 1 1 -5  33 20 o 73.31970 5.532278 275.1621       39.41077 264.1000       54.81446 287.0000       56.70406 70.08820 8.141261 73.16020 8.051256 -3.071999      11.45002 
1 1 1 -5  33 21 o 54.18725 6.624956 154.3491       34.40884 130.3000       48.07899 179.6000       49.26560 47.26616 10.64834 56.84636 9.165544 -9.580196      14.04971 
1 1 1 -5  33 22 o 22.01600 8.952694 15.87048       30.24385 2.959000       43.91432 27.52000       41.71305 23.07144 10.12526 26.17389 10.56090 -3.102459      14.63057 
1 1 1 -5  33 23 o 27.72894 9.440973 42.06577       30.66337 96.52000       44.61654 -6.678000      42.21236 39.97989 11.03854 21.46696 9.642325 18.51293       14.65687 
1 1 1 -5  33 24 o 21.83144 8.823086 16.64622       29.16719 27.48000       41.49205 6.063000       41.00945 25.96994 10.51338 22.71820 9.880897 3.251743       14.42787 
1 1 1 -5  33 25 o 56.60539 6.480644 169.5174       35.26070 124.2000       50.33055 213.2000       49.41438 44.90739 11.42449 62.12688 8.335996 -17.21948      14.14241 
1 1 1 -5  33 26 o 56.51155 9.339166 182.4000       49.85676 0.000000       0.000000 182.4000       49.85676 ?        ?        56.51155 9.339166 ?              ?        
1 1 1 -5  33 27 o 32.67220 11.42580 64.58000       45.02322 64.58000       45.02322 0.000000       0.000000 32.67220 11.42580 ?        ?        ?              ?        
1 1 1 -5  33 28 o 39.67300 11.41931 99.02000       46.73220 99.02000       46.73220 0.000000       0.000000 39.67300 11.41931 ?        ?        ?              ?        
1 1 1 -5  33 29 o 24.95394 9.258628 31.96573       30.09135 49.60000       42.01293 13.39000       43.11985 29.51473 10.94201 23.78713 10.23836 5.727606       14.98505 
1 1 1 -5  33 30 o 26.63535 10.76285 33.32000       43.39415 0.000000       0.000000 33.32000       43.39415 ?        ?        26.63535 10.76285 ?              ?        
1 1 1 -5  33 31 o 15.21848 7.199437 -25.50275      28.39238 -33.01000      38.94916 -16.99000      41.47560 17.62348 8.365019 19.73974 9.126523 -2.116261      12.38010 
1 1 1 -5  33 32 o 36.85832 8.715510 79.35547       30.94599 38.98000       41.39642 130.5000       46.59116 27.21157 10.66847 45.93527 10.58040 -18.72370      15.02534 
1 1 1 -5  33 33 o 37.63181 8.682559 83.12322       31.33178 65.60000       43.18444 102.6000       45.52803 32.09497 11.19234 39.74837 11.21612 -7.653393      15.84518 
1 1 1 -5  33 34 o 29.28015 9.435798 51.88463       30.74483 48.89000       43.22821 54.95000       43.73575 28.68988 10.99597 29.80190 11.14158 -1.112019      15.65395 
1 1 1 -5  33 35 o 36.03416 9.108993 78.56374       32.14003 81.49000       44.72871 75.44000       46.21337 34.89883 11.39164 33.53771 11.58467 1.361115       16.24728 
1 1 1 -5  33 36 o 51.25863 7.165490 146.1148       34.97071 196.1000       49.30204 95.50000       49.61152 57.58719 9.044209 37.11760 11.98845 20.46959       15.01734 
1 1 1 -5  33 37 o 36.56896 9.035369 80.82484       32.15150 58.79000       44.27847 105.4000       46.76123 30.33472 11.23554 39.61274 11.42927 -9.278017      16.02702 
1 1 1 -5  33 38 o 29.91438 9.596029 55.41098       31.82310 130.5000       44.70581 -21.72000      45.30960 45.46887 10.28621 19.76700 9.271409 25.70187       13.84793 
1 1 1 -5  33 39 o 23.91763 10.17404 21.83000       41.67635 21.83000       41.67635 0.000000       0.000000 23.91763 10.17404 ?        ?        ?              ?        
1 1 1 -5  33 40 o 30.01814 9.664250 56.28333       32.25682 70.38000       46.28420 42.97000       44.97982 32.21306 11.55379 27.41020 10.99911 4.802862       15.95214 
1 1 1 -5  33 41 o 21.47684 8.961512 17.00564       31.35383 -10.95000      44.34549 44.95000       44.33654 20.43657 9.444562 27.59309 10.97095 -7.156521      14.47624 
1 1 1 -5  33 42 o 28.86261 9.538154 52.00177       31.31875 43.45000       43.44954 61.25000       45.18417 27.21239 10.84716 30.32626 11.32719 -3.113869      15.68331 
1 1 1 -5  33 43 o 23.57790 9.101648 29.72836       29.76561 24.35000       40.84411 35.82000       43.46818 23.90070 10.11537 25.87893 10.65215 -1.978226      14.68976 
1 1 1 -5  33 44 o 35.44419 9.094712 78.56282       31.70686 51.37000       43.26850 110.1000       46.59680 28.20320 10.95001 39.57818 11.40606 -11.37498      15.81142 
1 1 1 -5  33 45 o 34.09755 9.206926 74.16311       31.44256 55.08000       42.81212 96.51000       46.32877 28.57057 10.94476 36.32796 11.57039 -7.757393      15.92676 
1 1 1 -5  33 46 o 18.59481 8.241749 3.571199       29.78345 3.262000       40.69109 3.928000       43.71120 20.69570 9.365690 21.26562 9.656717 -0.5699215     13.45245 
1 1 1 -5  34 1  o 104.1864 4.819698 543.8629       49.01836 626.9000       77.17094 487.7000       63.46617 110.3466 7.183826 97.60743 6.683156 12.73921       9.811827 
1 1 1 -5  34 2  o 117.4888 3.420902 683.5436       39.29892 755.5000       86.01524 664.5607       44.17958 121.0746 7.291783 115.6385 3.908746 5.436028       8.273355 
1 1 1 -5  34 3  o 39.64077 5.701289 80.71277       21.48634 196.2000       51.07867 55.88416       23.68366 60.61091 8.872314 32.31611 7.613301 28.29480       11.69104 
1 1 1 -5  34 4  o 48.48339 4.915475 118.8016       23.00530 107.5000       51.21381 121.6585       25.74939 43.30125 11.77503 48.88662 5.475036 -5.585369      12.98566 
1 1 1 -5  34 5  o 77.34953 3.473415 296.7902       26.23078 284.3000       59.27150 299.8323       29.25119 73.38360 8.403012 77.62349 3.861981 -4.239891      9.248001 
1 1 1 -5  34 6  o 69.72675 3.530482 241.4325       24.01729 260.5000       57.68582 237.4342       26.41568 70.06918 8.590268 69.02785 3.925775 1.041328       9.444809 
1 1 1 -5  34 7  o 69.18953 3.535593 237.7918       23.86528 198.3000       55.12187 246.9023       26.47533 60.37903 9.651647 70.40850 3.856305 -10.02947      10.39353 
1 1 1 -5  34 8  o 34.44668 5.278573 60.94500       17.23163 86.09000       47.05013 57.04979       18.51827 38.84018 11.53690 33.10910 5.931962 5.731075       12.97259 
1 1 1 -5  34 9  o 27.01118 6.153378 38.46016       15.90459 60.50000       46.55816 35.54843       16.92260 33.52929 11.62551 25.89045 6.644748 7.638832       13.39049 
1 1 1 -5  34 10 o 75.10543 3.395296 279.9240       24.89606 333.2000       60.25619 268.9571       27.33867 79.70664 7.823968 73.48393 3.813884 6.222710       8.704033 
1 1 1 -5  34 11 o 65.32997 3.545451 212.2487       22.58706 216.6000       54.87105 211.3609       24.78426 63.33606 9.112843 65.08218 3.908529 -1.746120      9.915669 
1 1 1 -5  34 12 o 21.41396 6.938416 23.20186       16.60990 130.1000       48.17952 8.783009       17.69468 48.00026 10.54338 17.30963 6.914748 30.69063       12.60859 
1 1 1 -5  34 13 o 21.04664 6.694162 22.61387       15.51204 62.83000       45.55627 17.33961       16.49790 33.69051 11.50673 19.41506 6.905302 14.27544       13.41969 
1 1 1 -5  34 14 o 43.92784 4.186314 97.22076       17.78283 116.8000       48.11151 94.12265       19.13810 44.92408 11.02482 43.08613 4.609440 1.837948       11.94963 
1 1 1 -5  34 15 o 61.21194 5.465527 191.4618       32.40308 0.000000       0.000000 191.4618       32.40308 ?        ?        61.21194 5.465527 ?              ?        
1 1 1 -5  34 16 o 21.93858 9.634105 -0.4862000     39.81353 0.000000       0.000000 -0.4862000     39.81353 ?        ?        21.93858 9.634105 ?              ?        
1 1 1 -5  34 17 o 21.07465 6.561998 23.10446       14.98185 20.81000       43.55901 23.41231       15.95528 25.63587 10.61840 21.28227 6.791382 4.353594       12.60449 
1 1 1 -5  34 18 o 38.07043 4.059228 73.35059       14.89342 120.6000       46.65049 67.98819       15.71585 45.36554 10.68335 36.50149 4.493391 8.864056       11.58984 
1 1 1 -5  34 19 o 15.05684 5.776707 8.421165       11.93878 -11.48000      42.02784 10.16805       12.45174 20.94789 9.495186 15.82781 5.939191 5.120079       11.19967 
1 1 1 -5  34 20 o 62.28244 5.938344 201.8577       35.76470 220.5000       50.77461 183.5000       50.38548 63.33705 8.396625 56.98220 9.358156 6.354851       12.57292 
1 1 1 -5  34 21 o 39.68767 8.254322 87.85690       31.01968 80.20000       44.58597 95.04000       43.18449 36.31139 11.32233 39.73496 10.81574 -3.423573      15.65807 
1 1 1 -5  34 22 o 57.32376 6.119499 172.3555       33.80614 157.5000       47.65875 187.4000       47.96089 52.31275 9.663296 57.92023 8.730657 -5.607483      13.02320 
1 1 1 -5  34 23 f 19.92628 8.450032 7.513939       28.59716 34.78000       40.44699 -19.74000      40.43800 26.90817 10.54663 19.48028 9.008350 7.427898       13.87018 
1 1 1 -5  34 24 o 27.23366 9.324598 41.14913       29.92008 26.43000       41.69825 56.77000       42.95656 25.61494 10.47591 31.14535 11.13540 -5.530409      15.28862 
1 1 1 -5  34 25 o 64.23340 5.912837 216.2735       36.75916 191.5000       50.93554 243.2000       53.10275 57.72338 9.333303 66.02976 8.406544 -8.306385      12.56107 
1 1 1 -5  34 26 o 33.08449 11.20456 67.17000       43.18345 67.17000       43.18345 0.000000       0.000000 33.08449 11.20456 ?        ?        ?              ?        
1 1 1 -5  34 27 o 25.45892 10.47781 26.43000       42.04926 26.43000       42.04926 0.000000       0.000000 25.45892 10.47781 ?        ?        ?              ?        
1 1 1 -5  34 28 o 27.37515 10.92216 37.72000       44.09294 0.000000       0.000000 37.72000       44.09294 ?        ?        27.37515 10.92216 ?              ?        
1 1 1 -5  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  34 30 o 19.69296 8.455918 6.725022       29.28000 5.218000       40.36250 8.399000       42.53958 21.93693 9.664411 22.75944 9.977592 -0.8225060     13.89076 
1 1 1 -5  34 31 o 45.74078 7.466303 116.8187       32.27628 122.6000       44.02455 110.1000       47.45989 44.47652 10.31334 41.00972 11.40853 3.466805       15.37920 
1 1 1 -5  34 32 o 35.49808 9.053599 75.89714       31.55257 63.40000       42.83602 90.72000       46.65196 31.41155 11.13138 36.70859 11.60095 -5.297041      16.07762 
1 1 1 -5  34 33 o 33.34169 9.373176 68.16605       31.85737 65.25000       44.12840 71.34000       46.03852 31.65334 11.28969 32.75412 11.54610 -1.100773      16.14836 
1 1 1 -5  34 34 o 31.31041 9.559313 60.81211       31.98192 89.87000       44.67284 30.26000       45.80703 36.53655 11.32389 25.71224 10.78744 10.82431       15.63967 
1 1 1 -5  34 35 o 32.94809 9.314878 66.68277       31.37079 23.89000       42.77250 116.5000       46.14973 24.47891 10.35534 42.14708 11.05249 -17.66817      15.14565 
1 1 1 -5  34 36 o 30.97096 9.397848 59.44309       30.97427 53.96000       43.35403 65.16000       44.26877 29.26922 11.06063 31.35588 11.29283 -2.086662      15.80713 
1 1 1 -5  34 37 o 19.66084 9.064212 -11.29000      40.49230 -11.29000      40.49230 0.000000       0.000000 19.66084 9.064212 ?        ?        ?              ?        
1 1 1 -5  34 38 o 41.21821 8.581063 100.9187       33.49369 163.7000       48.34035 42.95000       46.45062 51.28598 9.988834 27.46367 11.12177 23.82231       14.94894 
1 1 1 -5  34 39 o 34.55531 11.71401 83.33000       47.20042 0.000000       0.000000 83.33000       47.20042 ?        ?        34.55531 11.71401 ?              ?        
1 1 1 -5  34 40 o 21.02582 8.821792 15.51099       30.63717 0.2980000      42.18581 32.49000       44.56720 21.11121 9.546649 25.56701 10.67742 -4.455799      14.32291 
1 1 1 -5  34 41 o 23.01434 9.057174 26.71297       29.93382 48.19000       41.72887 3.946000       42.96376 27.91012 10.77589 21.64752 9.725242 6.262606       14.51551 
1 1 1 -5  34 42 o 26.12043 9.294270 41.39519       29.89085 57.03000       40.82030 23.32000       43.89058 29.34048 10.80195 24.00969 10.33175 5.330782       14.94748 
1 1 1 -5  34 43 o 25.97761 9.323040 41.39137       30.14198 72.96000       41.48866 6.103000       43.86492 32.30204 10.98201 21.74917 9.794053 10.55288       14.71489 
1 1 1 -5  34 44 o 18.23629 8.124716 1.726522       29.32331 47.24000       40.14520 -50.33000      42.93398 27.01062 10.53033 16.61439 8.104293 10.39622       13.28787 
1 1 1 -5  35 1  o 15.92316 6.748949 2.084330       18.22632 29.66000       43.55556 -3.769511      20.06786 27.47441 10.88994 15.49248 6.820320 11.98192       12.84942 
1 1 1 -5  35 2  o 92.44264 4.092346 426.5635       36.93798 501.0000       69.00250 396.6653       43.73153 98.23003 7.227125 88.68076 5.058999 9.549271       8.821836 
1 1 1 -5  35 3  o 41.31582 5.196604 87.20021       20.55181 62.45000       51.00940 91.99651       22.45504 34.01684 12.13744 42.33138 5.553100 -8.314541      13.34745 
1 1 1 -5  35 4  o 42.61679 5.487511 93.14713       22.36016 72.57000       51.72182 97.87691       24.79718 35.89863 12.26069 43.52233 5.978641 -7.623703      13.64070 
1 1 1 -5  35 5  o 73.12788 3.931527 266.9269       28.03824 240.6000       58.28842 274.8525       31.98134 66.62896 9.181252 74.01392 4.434794 -7.384956      10.19621 
1 1 1 -5  35 6  o 22.76426 7.016228 26.97386       17.17780 72.51000       47.77715 20.21354       18.40881 35.71515 11.77979 20.71476 7.301175 15.00039       13.85896 
1 1 1 -5  35 7  o 22.95681 6.921615 27.62716       16.83978 53.74000       47.48864 23.87130       18.01016 32.02459 11.67334 21.79219 7.234188 10.23239       13.73319 
1 1 1 -5  35 8  o 44.56739 4.342628 100.2492       18.70419 100.6000       50.67781 100.1939       20.12508 41.26112 11.89628 44.44206 4.697335 -3.180946      12.79009 
1 1 1 -5  35 9  o 71.18559 3.512535 252.3094       24.39920 238.5000       57.99272 255.2796       26.89547 66.04066 9.222469 71.47912 3.858393 -5.438454      9.997057 
1 1 1 -5  35 10 o 38.43329 4.726392 75.30754       17.40648 139.7000       49.35202 66.15926       18.60190 49.44604 10.52041 35.73745 5.493326 13.70860       11.86826 
1 1 1 -5  35 11 o 39.19141 5.413981 79.27842       20.21475 91.14000       49.18020 76.86701       22.17453 39.12586 11.83556 38.31517 6.118262 0.8106880      13.32342 
1 1 1 -5  35 12 o 59.63701 3.743661 177.9523       21.74313 124.9000       51.56861 189.4229       23.97878 45.84160 11.51059 61.43891 4.009185 -15.59731      12.18882 
1 1 1 -5  35 13 o 70.45307 3.422696 247.3978       23.53277 251.0000       55.77886 246.6177       25.95588 67.87905 8.586967 70.19824 3.791561 -2.319191      9.386795 
1 1 1 -5  35 14 o 30.08052 10.90490 48.65000       41.36422 0.000000       0.000000 48.65000       41.36422 ?        ?        30.08052 10.90490 ?              ?        
1 1 1 -5  35 15 o 19.09321 7.667860 11.67784       21.87859 69.16000       45.21650 -5.894083      25.00000 34.21706 11.46488 16.78626 7.488784 17.43080       13.69399 
1 1 1 -5  35 16 o 13.37431 5.643630 1.868697       12.65252 -5.083000      42.21588 2.554768       13.26218 21.65778 9.691885 13.83114 5.803713 7.826635       11.29671 
1 1 1 -5  35 17 o 45.32276 4.272822 104.3064       18.73190 137.0000       46.85551 98.08722       20.43604 48.39504 10.21275 43.70973 4.858527 4.685310       11.30954 
1 1 1 -5  35 18 o 23.35973 5.774283 29.20399       13.12682 29.20000       41.49402 29.20443       13.83750 26.23196 10.55113 23.31664 6.021275 2.915325       12.14834 
1 1 1 -5  35 19 o 58.47324 3.198841 170.6948       18.23890 140.2000       46.75249 176.1689       19.80841 48.90935 10.10040 59.32103 3.425990 -10.41169      10.66562 
1 1 1 -5  35 20 o 25.19712 9.172393 32.74143       29.30612 5.831000       41.98115 58.32000       40.92910 22.75212 9.944652 31.48144 10.90090 -8.729322      14.75553 
1 1 1 -5  35 21 o 28.16396 9.395345 44.88160       30.37042 41.59000       42.31076 48.38000       43.61966 28.22739 10.86328 29.55582 11.11069 -1.328426      15.53893 
1 1 1 -5  35 22 o 39.82872 8.400979 89.95413       31.71940 60.75000       41.31120 131.9000       49.50969 31.83443 10.95485 46.28376 11.07639 -14.44934      15.57868 
1 1 1 -5  35 23 o 54.67397 6.387969 158.9775       33.54258 147.4000       44.56977 174.1000       50.93832 50.44013 9.372214 54.41433 9.929437 -3.974197      13.65401 
1 1 1 -5  35 24 o 27.86552 9.255058 44.33294       29.47697 26.20000       39.90886 66.10000       43.72554 25.13188 10.25996 32.75709 11.27049 -7.625212      15.24109 
1 1 1 -5  35 25 o 39.07063 10.84056 95.41000       42.91355 95.41000       42.91355 0.000000       0.000000 39.07063 10.84056 ?        ?        ?              ?        
1 1 1 -5  35 26 f 59.24779 6.190283 186.6658       35.37044 163.8000       48.56320 212.5000       51.61927 52.50432 9.810071 60.80581 8.939455 -8.301491      13.27220 
1 1 1 -5  35 27 o 27.65819 10.90141 40.81000       43.42390 0.000000       0.000000 40.81000       43.42390 ?        ?        27.65819 10.90141 ?              ?        
1 1 1 -5  35 28 o 51.45247 10.09102 160.3000       49.00475 0.000000       0.000000 160.3000       49.00475 ?        ?        51.45247 10.09102 ?              ?        
1 1 1 -5  35 29 o 14.94251 7.099912 -26.79289      28.20402 -60.65000      38.88786 10.78000       40.96627 15.45166 7.574239 22.62399 9.857322 -7.172325      12.43125 
1 1 1 -5  35 30 o 32.28788 11.47639 68.58000       45.56277 0.000000       0.000000 68.58000       45.56277 ?        ?        32.28788 11.47639 ?              ?        
1 1 1 -5  35 31 o 28.01298 10.52004 46.77000       39.08391 46.77000       39.08391 0.000000       0.000000 28.01298 10.52004 ?        ?        ?              ?        
1 1 1 -5  35 32 o 41.14264 8.356433 99.26373       32.50285 108.8000       45.42583 89.26000       46.52584 40.47064 11.12419 36.06895 11.60606 4.401688       16.07632 
1 1 1 -5  35 33 o 27.81846 9.502209 46.74588       31.06673 17.41000       42.64825 79.91000       45.34569 23.52003 10.15322 34.32656 11.48094 -10.80654      15.32644 
1 1 1 -5  35 34 o 20.65685 8.657850 14.01987       29.46129 62.77000       40.98368 -38.11000      42.38054 30.98973 10.89635 17.73461 8.502007 13.25511       13.82080 
1 1 1 -5  35 35 o 17.32331 7.865293 -6.891135      28.98385 11.13000       40.60028 -25.62000      41.38984 22.26229 9.753912 18.50374 8.735194 3.758551       13.09360 
1 1 1 -5  35 36 o 29.38406 10.98015 55.36000       42.46737 55.36000       42.46737 0.000000       0.000000 29.38406 10.98015 ?        ?        ?              ?        
1 1 1 -5  35 37 o 21.09304 8.810694 15.91230       30.35488 26.56000       42.49218 4.816000       43.37809 24.57351 10.35448 21.89696 9.809752 2.676556       14.26347 
1 1 1 -5  35 38 o 28.13248 11.08909 48.78000       44.93473 0.000000       0.000000 48.78000       44.93473 ?        ?        28.13248 11.08909 ?              ?        
1 1 1 -5  35 39 o 19.06354 8.381755 4.098850       30.21939 43.40000       41.48963 -40.31000      44.10336 26.99108 10.65047 17.82550 8.578537 9.165573       13.67566 
1 1 1 -5  35 40 o 18.32676 8.121663 1.439915       28.91067 9.924000       38.90970 -9.017000      43.19736 21.57814 9.498274 20.23276 9.340110 1.345375       13.32122 
1 1 1 -5  35 41 f 15.94854 7.446379 -15.92160      28.67682 0.4941000      39.18134 -34.86000      42.08440 20.34099 9.199181 17.64863 8.463815 2.692360       12.50044 
1 1 1 -5  35 42 o 13.21329 6.459726 -41.31207      27.72255 -31.39000      37.57143 -53.17000      41.07342 16.76430 8.028379 16.04690 7.848812 0.7173958      11.22759 
1 1 1 -5  35 43 o 25.23500 9.254850 39.38784       29.91824 18.91000       40.72410 63.40000       44.09864 22.56136 9.829117 29.72261 11.17192 -7.161255      14.88030 
1 1 1 -5  36 1  o 75.97350 3.630232 287.9926       26.91810 293.3000       58.53895 286.5694       30.31297 73.86121 8.236984 75.58130 4.112895 -1.720093      9.206726 
1 1 1 -5  36 2  o 49.62743 4.454561 124.5937       21.40883 114.2000       50.06504 126.9196       23.68342 43.80806 11.52322 49.92021 4.910362 -6.112152      12.52582 
1 1 1 -5  36 3  o 39.22393 6.982462 82.09068       25.82529 73.61000       47.08912 85.73877       30.88434 35.47379 11.69442 39.51006 8.252516 -4.036266      14.31305 
1 1 1 -5  36 4  o 45.37345 4.531349 104.4604       19.85610 84.07000       46.44414 109.0209       21.96465 37.63991 11.52505 46.21492 4.931636 -8.575016      12.53586 
1 1 1 -5  36 5  o 48.95926 4.619424 121.6751       21.87582 147.7000       48.29328 114.9565       24.53763 50.95476 10.03992 47.26960 5.400051 3.685165       11.40003 
1 1 1 -5  36 6  o 44.19762 4.896301 99.84000       20.82744 80.62000       46.16509 104.7517       23.33744 36.81977 11.52715 45.08515 5.395265 -8.265381      12.72730 
1 1 1 -5  36 7  o 55.83379 3.912184 156.5595       21.24543 219.3000       51.15248 143.4803       23.35514 63.45049 8.445729 53.20882 4.527228 10.24167       9.582596 
1 1 1 -5  36 8  o 16.94505 6.536184 10.71907       15.34201 -27.09000      44.06990 15.93322       16.36574 19.95335 9.287749 18.81208 6.853474 1.141262       11.54263 
1 1 1 -5  36 9  o 15.29714 6.281371 5.189722       15.06771 97.42000       46.08056 -5.852136      15.94417 40.26386 11.25651 13.22320 5.933824 27.04066       12.72475 
1 1 1 -5  36 10 o 17.93616 6.797281 13.12413       16.40080 44.08000       45.59614 8.523796       17.57726 29.44060 11.29074 17.03432 6.861759 12.40627       13.21229 
1 1 1 -5  36 11 o 56.11687 3.838022 158.3311       20.95486 116.7000       50.47098 167.0021       23.03399 43.63766 11.61282 57.52566 4.117975 -13.88800      12.32133 
1 1 1 -5  36 12 o 49.18165 9.987657 140.4000       46.43773 0.000000       0.000000 140.4000       46.43773 ?        ?        49.18165 9.987657 ?              ?        
1 1 1 -5  36 13 o 52.95413 4.170328 141.9290       21.44171 0.000000       0.000000 141.9290       21.44171 ?        ?        52.95413 4.170328 ?              ?        
1 1 1 -5  36 14 o 55.32037 3.636686 153.6629       19.58312 149.5000       48.45587 154.4756       21.40944 50.57442 10.14163 55.33010 3.979683 -4.755684      10.89452 
1 1 1 -5  36 15 o 42.33856 5.699210 93.90491       23.01945 111.9000       44.12568 87.17639       26.98198 43.20675 10.53096 40.04741 7.145387 3.159336       12.72626 
1 1 1 -5  36 16 o 15.75740 6.105021 9.170634       13.42834 30.17000       40.09223 6.517210       14.25150 26.04940 10.40763 15.26419 6.167972 10.78521       12.09805 
1 1 1 -5  36 17 o 50.80813 4.125216 130.9382       20.33935 105.1000       44.41151 137.7958       22.87981 41.44341 10.82990 51.93764 4.546328 -10.49423      11.74546 
1 1 1 -5  36 18 o 18.53374 6.015451 17.65020       12.48175 31.87000       37.41848 15.86986       13.24008 25.89820 10.14608 17.97461 6.201127 7.923595       11.89104 
1 1 1 -5  36 19 o 75.48956 3.016454 284.0228       22.24409 283.9000       51.05426 284.0516       24.71306 72.41643 7.302213 75.33049 3.360035 -2.914063      8.038169 
1 1 1 -5  36 20 o 33.81683 8.839967 66.45118       29.58353 98.46000       39.23808 24.29000       45.03283 40.53656 9.961349 25.60917 10.71676 14.92739       14.63139 
1 1 1 -5  36 21 o 47.73948 7.090120 124.0819       32.12647 97.45000       41.56521 163.6000       50.63221 39.85461 10.50732 52.29252 10.25855 -12.43791      14.68474 
1 1 1 -5  36 22 o 24.88218 9.204440 32.22123       29.70000 34.21000       38.42541 29.27000       46.80878 26.23390 10.28048 26.43637 10.98368 -0.2024765     15.04425 
1 1 1 -5  36 23 o 45.76350 7.528755 116.3008       32.55300 73.99000       43.03344 172.9000       49.77204 34.13725 11.17559 53.96431 9.782771 -19.82706      14.85249 
1 1 1 -5  36 24 o 26.76880 10.52707 36.99000       40.41256 36.99000       40.41256 0.000000       0.000000 26.76880 10.52707 ?        ?        ?              ?        
1 1 1 -5  36 25 o 40.18325 8.194637 92.64567       31.13783 117.5000       43.69453 67.00000       44.38467 43.50633 10.40164 32.39865 11.34346 11.10768       15.39053 
1 1 1 -5  36 26 o 42.35540 11.01571 114.8000       46.09331 0.000000       0.000000 114.8000       46.09331 ?        ?        42.35540 11.01571 ?              ?        
1 1 1 -5  36 27 o 40.07038 8.389892 93.41686       31.84996 58.78000       43.92983 131.8000       46.24454 30.57104 11.21409 45.79453 10.53600 -15.22349      15.38710 
1 1 1 -5  36 28 o 23.12425 9.077809 25.89523       30.00558 3.886000       41.74098 49.43000       43.16335 21.72360 9.685001 28.64316 10.98528 -6.919556      14.64499 
1 1 1 -5  36 29 o 19.09634 8.331016 4.369372       29.34243 -17.22000      41.50547 25.94000       41.48745 19.38223 9.019064 24.59465 10.28882 -5.212421      13.68222 
1 1 1 -5  36 30 o 20.08965 8.555586 10.59321       29.53092 31.19000       41.53606 -10.46000      41.99376 25.29732 10.41273 20.08327 9.248772 5.214058       13.92712 
1 1 1 -5  36 31 o 18.89885 8.296842 3.098176       29.50862 -2.233000      40.74142 8.981000       42.79742 20.71660 9.373676 22.41472 9.909924 -1.698120      13.64084 
1 1 1 -5  36 32 o 25.55671 10.59622 31.94000       43.43769 0.000000       0.000000 31.94000       43.43769 ?        ?        25.55671 10.59622 ?              ?        
1 1 1 -5  36 33 o 42.88560 10.94691 121.6000       46.10227 121.6000       46.10227 0.000000       0.000000 42.88560 10.94691 ?        ?        ?              ?        
1 1 1 -5  36 34 o 33.10569 9.481729 68.89972       32.29559 117.3000       45.01863 17.58000       46.35648 42.09546 10.85549 23.84147 10.43472 18.25398       15.05740 
1 1 1 -5  36 35 o 33.03314 11.38647 75.16000       44.63694 75.16000       44.63694 0.000000       0.000000 33.03314 11.38647 ?        ?        ?              ?        
1 1 1 -5  36 36 o 20.33767 8.727083 10.75912       31.15019 9.486000       43.90116 12.05000       44.20648 22.46303 9.978481 22.81639 10.08034 -0.3533573     14.18391 
1 1 1 -5  36 37 o 27.30298 11.12772 44.06000       46.85018 0.000000       0.000000 44.06000       46.85018 ?        ?        27.30298 11.12772 ?              ?        
1 1 1 -5  36 38 o 28.47091 9.441640 50.85364       30.68042 46.45000       41.98441 55.90000       44.94396 27.47607 10.75229 29.16256 11.20317 -1.686483      15.52813 
1 1 1 -5  36 39 o 20.32110 8.567154 14.15246       29.11331 37.85000       39.56488 -13.83000      42.99335 25.68369 10.31254 19.61219 9.143884 6.071501       13.78256 
1 1 1 -5  36 40 o 17.09143 7.804424 -6.744570      29.05559 -1.525000      39.72380 -12.75000      42.60941 20.10747 9.159988 19.52769 9.103983 0.5797787      12.91464 
1 1 1 -5  36 41 o 21.03860 8.748969 18.90994       29.73764 -11.35000      39.89134 56.76000       44.61469 18.97966 8.835180 28.55013 11.10942 -9.570461      14.19435 
1 1 1 -5  36 42 o 38.72093 8.666898 93.70071       32.02777 88.05000       43.63609 100.3000       47.15673 34.45836 11.25189 36.29929 11.68488 -1.840927      16.22164 
1 1 1 -5  37 1  f 68.76259 3.799093 237.4284       25.47108 257.2000       56.26597 232.3323       28.56566 68.20068 8.620775 67.76340 4.329327 0.4372787      9.646805 
1 1 1 -5  37 2  o 51.31213 4.342392 133.6210       21.60540 185.9000       51.70397 122.5612       23.78119 57.09655 9.591124 48.82342 5.048981 8.273129       10.83890 
1 1 1 -5  37 3  o 54.48889 4.139310 150.1235       21.91192 156.0000       50.43123 148.7559       24.32831 51.59063 10.34708 54.01606 4.646431 -2.425438      11.34246 
1 1 1 -5  37 4  o 31.12532 8.063913 54.30227       24.76407 52.31000       45.85198 55.12272       29.42468 30.68381 11.42045 31.03595 9.098865 -0.3521423     14.60192 
1 1 1 -5  37 5  o 62.15010 3.724444 193.9866       22.55343 224.7000       52.66989 187.0906       24.95725 63.56620 8.692527 60.81314 4.218848 2.753056       9.662230 
1 1 1 -5  37 6  f 22.59830 7.219938 27.13060       18.02826 48.21000       42.75101 22.57114       19.88265 29.69253 11.03211 21.38410 7.583147 8.308430       13.38699 
1 1 1 -5  37 7  o 26.92051 7.006253 39.74770       18.63742 18.02000       43.35537 44.67299       20.64201 24.75145 10.44588 28.42904 7.360679 -3.677584      12.77873 
1 1 1 -5  37 8  o 41.51426 5.193399 89.32118       20.64310 130.8000       46.16856 78.95663       23.07854 47.03276 10.31328 38.47956 6.348541 8.553200       12.11065 
1 1 1 -5  37 9  o 47.84992 4.718455 117.2617       21.81247 79.26000       45.61193 128.5292       24.83655 35.85471 11.48708 49.90553 5.158637 -14.05082      12.59224 
1 1 1 -5  37 10 o 19.28982 8.243267 5.385654       27.58214 35.39000       40.54158 -20.47000      37.63451 27.03100 10.56949 18.67388 8.654651 8.357122       13.66078 
1 1 1 -5  37 11 o 43.45949 4.938277 97.43156       20.63504 0.000000       0.000000 97.43156       20.63504 ?        ?        43.45949 4.938277 ?              ?        
1 1 1 -5  37 12 o 32.68496 5.999136 57.05378       18.48593 0.000000       0.000000 57.05378       18.48593 ?        ?        32.68496 5.999136 ?              ?        
1 1 1 -5  37 13 o 32.37175 5.286427 55.05756       16.17317 65.82000       43.16969 53.30035       17.44360 32.86997 11.20182 31.60837 5.853555 1.261602       12.63902 
1 1 1 -5  37 14 o 49.36219 3.852882 123.1808       18.46863 103.9000       44.97214 127.0921       20.25547 40.96005 10.98979 50.00674 4.176262 -9.046688      11.75656 
1 1 1 -5  37 15 o 66.06277 3.277798 218.3815       21.12938 211.8000       50.10075 219.8053       23.30315 61.35896 8.575709 66.12283 3.614194 -4.763874      9.306191 
1 1 1 -5  37 16 o 45.48651 5.300816 107.8824       23.15929 116.2000       44.76850 104.8432       27.06167 43.55929 10.60155 44.21150 6.442686 -0.6522064     12.40569 
1 1 1 -5  37 17 o 74.70281 5.439866 289.9285       39.50434 272.6000       53.92507 310.0000       58.03633 70.15071 7.995889 74.77795 8.055987 -4.627243      11.35047 
1 1 1 -5  37 18 o 12.43423 5.458260 -1.838798      12.76840 25.44000       38.83570 -5.144913      13.52002 24.78039 10.11933 12.09580 5.443012 12.68459       11.49031 
1 1 1 -5  37 19 o 25.10852 5.682081 33.99255       13.63782 26.43000       39.34384 35.02530       14.53923 24.95881 10.18792 25.40421 5.951771 -0.4453983     11.79904 
1 1 1 -5  37 20 o 28.55910 9.274986 47.82529       29.67076 49.80000       39.30749 45.21000       45.23589 29.11698 10.61929 28.57424 11.16706 0.5427341      15.41014 
1 1 1 -5  37 21 o 20.28083 8.487123 11.55512       28.24446 -5.516000      37.28601 34.54000       43.26493 19.94057 9.000156 26.61350 10.74940 -6.672932      14.01971 
1 1 1 -5  37 22 o 28.93174 10.62807 49.60000       39.48115 49.60000       39.48115 0.000000       0.000000 28.93174 10.62807 ?        ?        ?              ?        
1 1 1 -5  37 23 o 40.43546 8.126255 93.75517       31.04621 74.72000       41.44288 118.1000       46.86784 34.11349 10.95155 42.87808 11.08588 -8.764591      15.58311 
1 1 1 -5  37 24 o 23.85662 9.002486 29.51124       28.69745 35.66000       39.06084 22.30000       42.30121 26.12982 10.32673 24.38156 10.30537 1.748264       14.58910 
1 1 1 -5  37 25 o 19.73153 9.063687 -10.93000      39.97401 0.000000       0.000000 -10.93000      39.97401 ?        ?        19.73153 9.063687 ?              ?        
1 1 1 -5  37 26 o 30.85432 9.253603 58.44032       30.15699 36.30000       41.41098 83.44000       44.00388 26.18182 10.53721 35.20309 11.28322 -9.021276      15.43839 
1 1 1 -5  37 27 o 19.78500 8.460426 9.257154       29.08897 26.29000       41.59904 -7.041000      40.69199 24.58678 10.29527 20.18591 9.224478 4.400871       13.82330 
1 1 1 -5  37 28 o 30.85697 9.305977 59.03943       30.43722 75.38000       43.48197 43.34000       42.62041 33.35210 11.24336 27.29141 10.78662 6.060698       15.58090 
1 1 1 -5  37 29 o 20.86762 8.672788 15.52877       29.19761 33.75000       41.39941 -2.504000      41.18475 25.65820 10.45925 20.73966 9.400269 4.918541       14.06275 
1 1 1 -5  37 30 o 46.45510 7.398103 122.2707       32.51313 92.69000       44.45236 156.3000       47.67793 36.85364 11.27348 49.86923 10.11379 -13.01559      15.14530 
1 1 1 -5  37 31 o 19.29812 8.337226 7.290678       28.80093 2.405000       39.46093 12.86000       42.13142 20.87883 9.354787 22.64024 9.927351 -1.761402      13.64054 
1 1 1 -5  37 32 o 34.60038 9.113381 74.09901       31.28761 44.48000       42.73970 108.3000       45.92672 27.31605 10.80003 39.79356 11.27757 -12.47751      15.61487 
1 1 1 -5  37 33 o 28.52998 10.94950 51.50000       42.90300 51.50000       42.90300 0.000000       0.000000 28.52998 10.94950 ?        ?        ?              ?        
1 1 1 -5  37 34 o 17.76099 8.515789 -36.66000      42.54955 0.000000       0.000000 -36.66000      42.54955 ?        ?        17.76099 8.515789 ?              ?        
1 1 1 -5  37 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  37 36 o 19.00751 8.392059 3.547311       30.59084 -6.760000      41.26723 16.12000       45.57711 20.04017 9.206812 23.31928 10.27172 -3.279112      13.79397 
1 1 1 -5  37 37 o 25.39228 9.276162 38.64762       30.01128 40.18000       40.84673 36.85000       44.24088 26.15433 10.48625 25.83822 10.70160 0.3161068      14.98285 
1 1 1 -5  37 38 o 29.15245 9.483748 54.88153       31.01428 40.26000       41.67542 73.03000       46.43050 26.04502 10.53919 31.70342 11.54463 -5.658400      15.63179 
1 1 1 -5  37 39 o 18.22383 8.092470 2.554757       28.84836 -2.304000      39.05822 8.387000       42.79250 19.77102 9.035841 21.60103 9.704979 -1.830011      13.26021 
1 1 1 -5  37 40 o 19.45827 8.414298 10.49075       29.39047 2.161000       39.84623 20.43000       43.52592 20.27985 9.213340 22.96828 10.08018 -2.688431      13.65634 
1 1 1 -5  38 1  o 63.62380 3.748191 203.7599       23.23910 164.7000       49.07302 215.0518       26.38526 53.13588 9.795971 65.16271 4.158417 -12.02683      10.64206 
1 1 1 -5  38 2  o 28.00164 6.878630 43.13225       18.71500 65.50000       42.63034 37.79222       20.82953 32.85352 11.13252 26.07653 7.658330 6.776995       13.51233 
1 1 1 -5  38 3  o 65.25719 3.702748 214.2107       23.55445 239.9000       52.02760 207.5878       26.41677 65.74837 8.266599 63.96798 4.242994 1.780399       9.291913 
1 1 1 -5  38 4  o 24.43752 6.971331 32.75298       17.49206 38.84000       41.82690 31.46275       19.25687 27.63830 10.75613 24.00112 7.434092 3.637178       13.07517 
1 1 1 -5  38 5  o 28.48751 8.176665 45.96122       23.99221 33.89000       41.87123 51.86192       29.27466 26.77439 10.65630 29.93219 9.147180 -3.157801      14.04377 
1 1 1 -5  38 6  o 45.64701 4.487399 106.6580       19.79105 84.15000       44.37071 112.2482       22.11256 36.64988 11.27283 46.63763 4.917868 -9.987743      12.29887 
1 1 1 -5  38 7  o 35.17883 6.980472 67.83915       23.18794 43.48000       42.56342 78.12000       27.65158 28.44588 10.90891 37.34532 7.815753 -8.899446      13.41977 
1 1 1 -5  38 8  f 43.90950 7.457301 106.1070       30.90611 106.9000       45.01792 105.4000       42.50585 41.55230 10.92556 41.63289 10.44835 -0.8058929E-01 15.11740 
1 1 1 -5  38 9  o 63.99264 3.628237 205.9928       22.63336 198.9000       51.45333 207.6945       25.20262 58.81660 9.241758 64.05073 4.040491 -5.234131      10.08641 
1 1 1 -5  38 10 o 33.13710 6.064033 58.92780       18.94440 0.000000       0.000000 58.92780       18.94440 ?        ?        33.13710 6.064033 ?              ?        
1 1 1 -5  38 11 o 17.65520 6.725102 13.01972       16.10470 1.036000       40.92608 15.21536       17.51803 21.70729 9.639073 18.64393 7.034078 3.063354       11.93273 
1 1 1 -5  38 12 o 12.96485 5.776961 -3.949386      14.83035 -13.71000      39.14788 -2.313919      16.02473 19.59780 8.990159 13.82515 6.090162 5.772650       10.85878 
1 1 1 -5  38 13 o 58.78856 3.507678 173.8079       20.09276 167.8000       47.35793 175.1268       22.18886 53.70180 9.348886 58.83985 3.874185 -5.138054      10.11983 
1 1 1 -5  38 14 o 41.89367 4.187330 89.67458       16.94103 31.02000       41.76175 101.2279       18.53454 26.04022 10.54545 44.47852 4.311213 -18.43830      11.39267 
1 1 1 -5  38 15 o 20.15389 6.403708 21.55545       14.19815 30.25000       39.61909 20.27431       15.20827 25.59805 10.30515 19.79066 6.649272 5.807390       12.26414 
1 1 1 -5  38 16 o 16.76091 7.103198 4.640718       20.18599 -22.51000      38.51331 14.92441       23.70254 18.43784 8.615484 19.92673 7.988480 -1.488894      11.74914 
1 1 1 -5  38 17 o 27.79111 6.558335 42.67988       17.55098 40.58000       40.59159 43.16273       19.46451 27.35405 10.60987 27.72288 7.132232 -0.3688335     12.78429 
1 1 1 -5  38 18 o 12.05708 5.417364 -4.703581      13.33603 -27.78000      37.83817 -1.430425      14.25047 17.71684 8.360160 13.18090 5.776755 4.535944       10.16185 
1 1 1 -5  38 19 o 37.62150 4.215715 72.78046       15.25767 112.7000       42.13254 66.75518       16.36869 42.63761 10.22698 35.76240 4.796932 6.875210       11.29609 
1 1 1 -5  38 20 f 25.43633 9.172901 36.00060       29.21965 41.78000       39.79523 29.24000       43.04102 27.34760 10.53261 25.55581 10.56734 1.791782       14.91994 
1 1 1 -5  38 21 o 25.91354 10.40446 33.89000       40.27187 33.89000       40.27187 0.000000       0.000000 25.91354 10.40446 ?        ?        ?              ?        
1 1 1 -5  38 22 o 28.42226 9.168936 48.55205       29.02541 2.436000       39.04745 105.5000       43.39161 21.04276 9.375289 40.38520 10.77687 -19.34244      14.28415 
1 1 1 -5  38 23 o 21.36598 9.583108 1.864000       41.52943 0.000000       0.000000 1.864000       41.52943 ?        ?        21.36598 9.583108 ?              ?        
1 1 1 -5  38 24 o 28.10313 9.363559 48.08082       30.16698 30.37000       41.33732 68.26000       44.12399 25.15171 10.37385 31.96398 11.30028 -6.812275      15.33992 
1 1 1 -5  38 25 o 34.78971 9.065592 74.22977       31.17786 20.03000       42.37513 138.2000       46.03639 23.68877 10.17214 46.55515 10.36852 -22.86638      14.52510 
1 1 1 -5  38 26 o 24.30324 9.203608 32.36388       30.05563 -17.00000      42.42123 82.12000       42.58944 19.46647 9.078239 34.82210 11.09395 -15.35563      14.33493 
1 1 1 -5  38 27 o 39.81152 8.500779 94.17004       32.11863 95.44000       45.60308 92.92000       45.24424 37.28224 11.42110 36.80071 11.39447 0.4815292      16.13306 
1 1 1 -5  38 28 f 28.56682 9.271757 50.46012       29.65268 52.16000       40.91786 48.58000       43.03246 28.67444 10.76496 28.05864 10.91277 0.6157990      15.32882 
1 1 1 -5  38 29 o 21.39688 8.720532 19.34288       28.77269 31.04000       39.21172 5.698000       42.35078 24.82792 10.15695 21.75566 9.723549 3.072262       14.06098 
1 1 1 -5  38 30 o 24.47148 9.131530 33.90778       29.35077 20.51000       39.96218 49.60000       43.24890 23.24597 9.927750 28.13628 10.94096 -4.890310      14.77379 
1 1 1 -5  38 31 o 46.46417 7.719128 124.5011       33.87558 132.5000       46.93090 115.8000       48.94730 44.71247 10.83748 40.59850 11.68716 4.113976       15.93865 
1 1 1 -5  38 32 o 26.46820 10.69426 39.99000       42.83805 39.99000       42.83805 0.000000       0.000000 26.46820 10.69426 ?        ?        ?              ?        
1 1 1 -5  38 33 o 18.86753 8.345328 2.986388       30.38269 16.08000       42.51503 -10.68000      43.43498 22.87224 10.00218 20.06188 9.297858 2.810366       13.65627 
1 1 1 -5  38 34 o 26.96902 10.87908 43.85000       44.25259 0.000000       0.000000 43.85000       44.25259 ?        ?        26.96902 10.87908 ?              ?        
1 1 1 -5  38 35 o 15.62261 7.350470 -19.42645      28.86888 18.96000       39.26732 -64.58000      42.58810 22.71587 9.773697 15.80643 7.783486 6.909442       12.49431 
1 1 1 -5  38 36 o 20.10289 9.281195 -6.808000      42.67138 0.000000       0.000000 -6.808000      42.67138 ?        ?        20.10289 9.281195 ?              ?        
1 1 1 -5  38 37 o 28.39242 9.544464 52.73602       31.33510 30.58000       41.31526 82.74000       48.07885 24.30040 10.22305 33.00144 11.78269 -8.701035      15.59944 
1 1 1 -5  38 38 o 32.23516 11.13848 76.98000       42.72345 76.98000       42.72345 0.000000       0.000000 32.23516 11.13848 ?        ?        ?              ?        
1 1 1 -5  38 39 o 20.88791 8.699978 19.49224       29.47224 26.68000       40.08000 11.03000       43.48841 23.26302 9.938900 21.68058 9.758519 1.582439       13.92876 
1 1 1 -5  39 1  o 41.94232 5.084026 91.58841       20.44651 68.46000       44.73319 97.69647       22.98840 33.05500 11.39854 43.07973 5.582839 -10.02473      12.69231 
1 1 1 -5  39 2  o 23.53069 7.263804 30.40789       18.40287 57.06000       42.95187 24.41522       20.36699 30.81001 11.12002 21.79361 7.679832 9.016394       13.51424 
1 1 1 -5  39 3  o 28.40965 6.691685 44.48420       18.29959 40.25000       41.94445 45.47961       20.33717 27.63931 10.76706 28.50548 7.267718 -0.8661690     12.99036 
1 1 1 -5  39 4  o 16.36322 6.693078 7.297790       17.02391 5.718000       38.54549 7.680622       18.97483 21.75809 9.519172 17.08240 7.035285 4.675684       11.83680 
1 1 1 -5  39 5  o 33.27550 5.947369 59.37906       18.66014 106.2000       42.83605 48.41330       20.73045 41.49531 10.53055 29.41696 7.247472 12.07835       12.78352 
1 1 1 -5  39 6  o 24.97101 10.29088 25.36000       40.63448 25.36000       40.63448 0.000000       0.000000 24.97101 10.29088 ?        ?        ?              ?        
1 1 1 -5  39 7  f 78.19492 3.392334 306.7035       25.90293 322.4000       55.83520 302.3989       29.23983 76.65794 7.538650 77.35878 3.873853 -0.7008438     8.475729 
1 1 1 -5  39 8  o 28.88161 7.353851 46.89841       20.84136 0.000000       0.000000 46.89841       20.84136 ?        ?        28.88161 7.353851 ?              ?        
1 1 1 -5  39 9  o 44.65796 5.581429 105.0953       23.86655 0.000000       0.000000 105.0953       23.86655 ?        ?        44.65796 5.581429 ?              ?        
1 1 1 -5  39 10 o 32.10585 5.619124 54.99375       17.01578 63.83000       41.64873 53.22331       18.64265 32.01454 11.00016 31.25626 6.311129 0.7582836      12.68203 
1 1 1 -5  39 11 o 43.81843 4.450401 98.76290       18.82356 78.31000       43.55860 103.4595       20.87321 34.89423 11.23004 44.65799 4.853064 -9.763756      12.23380 
1 1 1 -5  39 12 o 34.28606 5.150620 61.90683       16.75175 23.39000       41.61779 69.35378       18.29965 24.60610 10.30008 36.24509 5.316002 -11.63899      11.59101 
1 1 1 -5  39 13 o 36.95074 4.746926 71.04130       16.77275 81.21000       41.46710 69.05221       18.33998 35.62653 10.88648 36.14480 5.344724 -0.5182648     12.12772 
1 1 1 -5  39 14 o 30.38888 5.815503 49.84266       16.66854 113.5000       40.80047 37.08950       18.26206 43.15083 9.874103 25.70379 7.048542 17.44704       12.13177 
1 1 1 -5  39 15 o 41.57990 4.241387 88.82863       17.02078 69.77000       40.84385 92.83398       18.72409 32.98569 10.89210 42.34772 4.590477 -9.362030      11.81991 
1 1 1 -5  39 16 o 19.69030 7.461253 17.87044       19.76017 41.32000       38.69172 9.596146       22.98351 27.13532 10.40229 18.50162 7.692532 8.633701       12.93764 
1 1 1 -5  39 17 o 35.43899 5.752392 67.40726       19.27070 63.98000       39.85562 68.45297       22.01517 31.71032 10.76394 35.23708 6.626025 -3.526764      12.63988 
1 1 1 -5  39 18 o 38.35484 4.410944 76.15914       16.25878 81.67000       41.88396 75.18138       17.64227 35.26665 10.97034 37.88473 4.870078 -2.618080      12.00275 
1 1 1 -5  39 19 o 50.75220 3.774275 131.0792       18.61549 90.47000       44.12288 139.8730       20.53235 36.76482 11.22879 52.29008 4.042939 -15.52526      11.93445 
1 1 1 -5  39 20 o 13.98969 6.757539 -35.03844      27.98118 -50.30000      37.64617 -16.20000      41.82575 15.66021 7.627742 19.47477 9.059309 -3.814565      11.84287 
1 1 1 -5  39 21 o 37.27972 8.772243 83.71605       31.47305 72.42000       43.21892 96.47000       45.92330 32.78164 11.20738 37.50760 11.45558 -4.725952      16.02609 
1 1 1 -5  39 22 o 23.21345 10.13181 15.59000       43.44131 0.000000       0.000000 15.59000       43.44131 ?        ?        23.21345 10.13181 ?              ?        
1 1 1 -5  39 23 o 28.90165 9.322020 51.81330       30.00352 43.73000       40.57125 61.57000       44.57334 27.12756 10.58316 30.40562 11.27084 -3.278061      15.46076 
1 1 1 -5  39 24 o 13.97899 6.745231 -33.70729      27.69999 -15.88000      38.03128 -53.85000      40.42567 18.56626 8.637335 16.08661 7.850600 2.479649       11.67200 
1 1 1 -5  39 25 o 17.25351 7.814077 -5.759738      28.39177 -27.12000      38.80764 18.84000       41.64656 17.69271 8.383822 23.34024 10.05413 -5.647528      13.09099 
1 1 1 -5  39 26 o 22.10103 8.829101 23.08251       28.84951 16.36000       39.48629 30.78000       42.25280 22.58586 9.759845 25.01735 10.41818 -2.431488      14.27561 
1 1 1 -5  39 27 o 28.31680 9.289446 49.82550       29.72673 40.30000       41.15191 60.22000       42.98806 26.44655 10.55163 30.05407 11.08152 -3.607519      15.30154 
1 1 1 -5  39 28 o 47.15337 7.361148 126.7219       32.86581 117.6000       45.15333 137.0000       47.92935 41.81637 10.91635 45.29864 10.93502 -3.482269      15.45126 
1 1 1 -5  39 29 o 18.90936 8.300360 4.394082       29.52482 4.559000       40.92051 4.215000       42.64145 21.25690 9.525047 21.51855 9.676221 -0.2616482     13.57777 
1 1 1 -5  39 30 o 40.76399 11.26069 114.6000       46.41734 114.6000       46.41734 0.000000       0.000000 40.76399 11.26069 ?        ?        ?              ?        
1 1 1 -5  39 31 o 19.37579 8.452118 6.939229       30.19547 9.783000       40.87206 3.522000       44.80395 21.77097 9.651898 21.69217 9.821044 0.7879257E-01  13.76997 
1 1 1 -5  39 32 o 22.67405 9.976107 14.91000       42.87761 0.000000       0.000000 14.91000       42.87761 ?        ?        22.67405 9.976107 ?              ?        
1 1 1 -5  39 33 o 17.17690 7.841938 -6.999765      29.31720 -40.20000      40.34378 30.15000       42.67603 16.82659 8.124494 24.66718 10.38443 -7.840591      13.18498 
1 1 1 -5  39 34 o 21.95466 8.830635 23.72523       29.06485 8.181000       39.01493 43.11000       43.56890 21.07052 9.380536 26.49482 10.75597 -5.424305      14.27184 
1 1 1 -5  39 35 o 22.98787 9.010364 29.12168       29.52262 13.63000       39.94056 47.78000       43.83298 21.78044 9.603883 27.06046 10.85825 -5.280014      14.49608 
1 1 1 -5  39 36 o 26.02849 9.336389 43.52642       30.22398 42.97000       41.12400 44.18000       44.56998 25.97162 10.48365 26.25829 10.79498 -0.2866707     15.04788 
1 1 1 -5  39 37 o 16.08442 7.476810 -11.90438      28.41005 17.99000       38.07822 -49.44000      42.66814 21.86482 9.515340 16.44126 8.032707 5.423557       12.45255 
1 1 1 -5  40 1  o 70.21436 3.720833 249.2213       25.48115 260.0000       53.46697 246.0537       28.98442 67.76194 8.229596 69.40607 4.287321 -1.644135      9.279406 
1 1 1 -5  40 2  f 70.16820 3.681300 248.7357       25.19567 266.8000       52.54151 243.3412       28.71233 68.97263 7.926418 69.03123 4.270197 -0.5860138E-01 9.003482 
1 1 1 -5  40 3  o 28.47327 9.295352 48.01802       29.78096 45.49000       41.21511 50.78000       43.08004 28.18672 10.75322 29.24050 11.03098 -1.053780      15.40501 
1 1 1 -5  40 4  o 19.83831 7.498688 18.14330       19.92990 -18.92000      40.05059 30.34167       22.97670 19.07718 8.871178 23.58936 8.167546 -4.512180      12.05847 
1 1 1 -5  40 5  o 13.96679 6.322272 -6.900971      18.55726 -28.34000      39.67935 -0.8989137     20.99481 18.10634 8.549166 15.91583 6.992434 2.190513       11.04456 
1 1 1 -5  40 6  o 29.92370 6.035677 48.69252       17.06790 6.965000       41.84116 57.02200       18.69396 22.33155 9.838992 32.40173 6.118433 -10.07017      11.58624 
1 1 1 -5  40 7  o 53.99345 6.141696 156.0638       31.88280 0.000000       0.000000 156.0638       31.88280 ?        ?        53.99345 6.141696 ?              ?        
1 1 1 -5  40 8  o 35.03519 5.288208 64.97149       17.57091 69.92000       41.25189 63.87471       19.42072 33.00000 10.94825 34.38367 5.987869 -1.383675      12.47873 
1 1 1 -5  40 9  o 46.61071 4.689345 112.5918       21.10416 120.2000       44.08591 110.3300       24.03729 43.77207 10.43708 45.68097 5.485412 -1.908897      11.79077 
1 1 1 -5  40 10 o 12.74321 5.669307 -3.275187      14.22542 21.69000       38.69638 -7.176214      15.29652 23.72597 9.931845 12.49011 5.687665 11.23586       11.44513 
1 1 1 -5  40 11 o 14.91918 6.268677 4.045193       15.50460 -10.36000      39.01188 6.747344       16.89632 19.61421 8.989066 16.06396 6.629621 3.550243       11.16939 
1 1 1 -5  40 12 o 35.91503 4.945914 67.72145       16.92599 66.37000       41.41791 67.99240       18.54527 32.09228 10.97139 35.72462 5.477930 -3.632343      12.26291 
1 1 1 -5  40 13 o 36.38346 4.791533 69.26235       16.64978 72.63000       41.20074 68.60505       18.20228 33.36271 10.93578 35.93956 5.335984 -2.576855      12.16816 
1 1 1 -5  40 14 o 12.55232 5.586588 -3.185768      13.82727 -58.90000      37.36586 5.654130       14.88386 15.06080 7.391202 15.06065 6.219581 0.1459122E-03  9.659868 
1 1 1 -5  40 15 o 39.63192 4.444870 81.48061       16.94613 70.34000       41.39003 83.72419       18.57429 32.63939 10.96940 39.97286 4.846086 -7.333477      11.99218 
1 1 1 -5  40 16 o 21.66857 7.578331 25.37476       19.80686 -6.362000      39.64923 35.92844       22.86417 19.98842 9.123281 24.91411 8.145396 -4.925690      12.23036 
1 1 1 -5  40 17 o 28.46651 5.971902 44.60760       16.10814 15.28000       40.99376 49.96271       17.51715 22.81377 9.901099 30.07024 6.158783 -7.256474      11.66029 
1 1 1 -5  40 18 o 28.80125 6.175440 45.96699       16.88682 92.46000       41.77635 36.88667       18.46236 37.24770 10.81966 25.37063 7.136650 11.87706       12.96136 
1 1 1 -5  40 19 o 19.13139 8.273810 6.966455       28.42316 10.71000       39.34412 2.880000       41.10661 21.86152 9.589406 21.20808 9.521499 0.6534348      13.51354 
1 1 1 -5  40 20 f 35.62579 11.44010 88.55000       45.22078 0.000000       0.000000 88.55000       45.22078 ?        ?        35.62579 11.44010 ?              ?        
1 1 1 -5  40 21 o 19.10876 8.390293 4.193604       30.18770 1.526000       42.98777 6.789000       42.40197 21.39207 9.658770 21.89185 9.760608 -0.4997864     13.73176 
1 1 1 -5  40 22 f 20.25599 8.526246 13.20326       28.76346 5.832000       39.03555 21.96000       42.54618 21.16972 9.406321 23.84268 10.21457 -2.672966      13.88583 
1 1 1 -5  40 23 o 28.56951 9.155953 50.77002       28.97619 37.91000       39.41754 65.89000       42.74097 25.87588 10.32591 31.09425 11.10852 -5.218365      15.16653 
1 1 1 -5  40 24 o 32.84614 8.947839 66.84733       29.54247 78.93000       40.31200 52.83000       43.41957 34.10841 10.78450 28.62760 11.00797 5.480816       15.41041 
1 1 1 -5  40 25 o 23.17478 8.919097 28.75442       28.52207 23.54000       38.06513 35.43000       43.06942 23.33884 9.815269 25.67271 10.58887 -2.333872      14.43827 
1 1 1 -5  40 26 o 27.14317 9.360247 45.62367       30.16529 50.94000       41.56891 39.71000       43.84212 28.19283 10.78852 26.37927 10.75955 1.813560       15.23680 
1 1 1 -5  40 27 o 39.31119 8.648053 93.82787       32.37099 90.22000       44.27874 97.97000       47.44398 35.81367 11.29994 36.88909 11.70413 -1.075417      16.26884 
1 1 1 -5  40 28 o 36.21721 9.285362 82.65084       33.06896 61.27000       45.81739 105.9000       47.77730 29.92038 11.35593 38.42620 11.67425 -8.505817      16.28635 
1 1 1 -5  40 29 o 27.19878 10.80370 46.30000       42.95500 46.30000       42.95500 0.000000       0.000000 27.19878 10.80370 ?        ?        ?              ?        
1 1 1 -5  40 30 o 20.94984 8.684164 17.87029       29.16641 17.17000       39.94498 18.67000       42.68644 22.49961 9.769125 23.06987 10.05670 -0.5702553     14.02045 
1 1 1 -5  40 31 o 28.65018 11.13477 55.48000       44.77583 0.000000       0.000000 55.48000       44.77583 ?        ?        28.65018 11.13477 ?              ?        
1 1 1 -5  40 32 o 22.46795 8.938188 26.33450       29.44466 39.17000       40.20120 11.48000       43.24756 25.62241 10.35725 22.06289 9.845795 3.559523       14.29029 
1 1 1 -5  40 33 o 23.84775 9.077736 33.46465       29.33082 45.55000       39.62637 18.82000       43.62084 26.53721 10.42775 22.85635 10.05904 3.680862       14.48870 
1 1 1 -5  40 34 o 29.22680 9.402548 56.85897       30.53729 24.84000       41.04863 96.54000       45.69687 23.16920 9.981080 35.62016 11.50583 -12.45096      15.23174 
1 1 1 -5  40 35 o 19.19317 8.289268 10.66331       28.45284 -17.02000      38.09266 45.60000       42.79303 17.86590 8.417540 26.26294 10.66052 -8.397038      13.58314 
1 1 1 -5  41 1  o 40.92523 8.148038 96.85943       31.49228 84.48000       44.75533 109.0000       44.32146 35.55538 11.37742 41.02233 10.86654 -5.466953      15.73300 
1 1 1 -5  41 2  o 24.53496 7.232426 34.04650       18.54809 61.45000       41.00214 26.99590       20.79777 31.00730 10.89910 22.34721 7.768811 8.660091       13.38450 
1 1 1 -5  41 3  o 50.61572 4.955989 133.7163       24.23965 160.3000       45.84296 123.3997       28.55838 51.67963 9.409009 47.75015 6.260833 3.929478       11.30166 
1 1 1 -5  41 4  o 39.49618 5.326650 82.63731       20.06833 114.1000       43.79854 74.27663       22.57784 42.23517 10.60971 36.74590 6.515773 5.489277       12.45075 
1 1 1 -5  41 5  o 32.12441 6.162035 56.49485       18.67141 20.19000       41.56345 65.67366       20.89886 23.81507 10.14634 34.55175 6.415526 -10.73668      12.00446 
1 1 1 -5  41 6  f 14.01599 6.264999 -3.989170      17.58624 0.000000       0.000000 -3.989170      17.58624 ?        ?        14.01599 6.264999 ?              ?        
1 1 1 -5  41 7  o 25.66590 8.313027 38.29445       23.84451 66.57000       40.79426 23.62102       29.38728 31.91382 10.88899 22.51868 8.938838 9.395136       14.08804 
1 1 1 -5  41 8  o 16.46528 6.633412 9.161259       16.42920 -39.80000      37.16802 21.05064       18.31567 16.32465 7.861063 20.24261 7.267144 -3.917967      10.70550 
1 1 1 -5  41 9  o 19.20968 6.684609 19.10880       15.39975 12.89000       38.42851 20.29854       16.80841 22.15901 9.601760 19.79080 6.976498 2.368216       11.86867 
1 1 1 -5  41 10 o 37.92560 5.337109 76.63268       19.26544 93.66000       42.29955 72.17612       21.64023 37.53119 10.88286 36.21063 6.336144 1.320560       12.59299 
1 1 1 -5  41 11 o 30.19011 6.093323 50.25283       17.38492 89.54000       42.33423 42.28347       19.06682 36.48537 10.96872 27.16116 7.095223 9.324213       13.06350 
1 1 1 -5  41 12 o 27.58101 6.248793 42.39447       16.47779 86.12000       42.53714 34.67464       17.87329 35.61454 11.05184 24.62737 7.053798 10.98718       13.11103 
1 1 1 -5  41 13 o 19.76193 6.739940 20.81035       15.62888 35.77000       40.37975 18.17443       16.94996 25.74718 10.39003 19.08645 6.971451 6.660732       12.51215 
1 1 1 -5  41 14 o 40.30920 4.498682 84.68024       17.44767 71.65000       43.51072 87.17695       19.04602 32.36195 11.23762 40.69366 4.878720 -8.331711      12.25096 
1 1 1 -5  41 15 o 44.64725 4.190205 102.9767       18.09800 57.80000       44.45334 111.9524       19.81446 29.58990 11.19589 46.43661 4.412238 -16.84671      12.03394 
1 1 1 -5  41 16 o 17.32060 7.467715 4.721612       23.01505 -2.533000      40.69557 8.133000       27.90652 20.44549 9.297376 19.15465 8.240405 1.290840       12.42358 
1 1 1 -5  41 17 o 43.91811 4.228793 99.78027       17.95437 68.44000       44.57562 105.8494       19.61594 31.54215 11.33543 45.08392 4.505375 -13.54177      12.19797 
1 1 1 -5  41 18 o 30.26752 5.624361 49.86714       16.04990 45.85000       42.68077 50.52877       17.32125 27.47612 10.81444 30.23820 6.063403 -2.762083      12.39826 
1 1 1 -5  41 19 o 26.07001 10.62869 37.71000       42.75927 0.000000       0.000000 37.71000       42.75927 ?        ?        26.07001 10.62869 ?              ?        
1 1 1 -5  41 20 o 48.74353 7.018896 133.9494       32.52415 132.3000       44.72882 135.8000       47.37757 45.06855 10.35687 45.06269 10.86800 0.5863190E-02  15.01260 
1 1 1 -5  41 21 o 18.49765 8.124078 3.725705       28.31917 9.695000       38.88395 -3.017000      41.32624 21.50061 9.478428 20.44733 9.325636 1.053276       13.29692 
1 1 1 -5  41 22 o 37.53359 8.474407 85.22151       30.39451 71.62000       41.17924 101.5000       45.04969 32.22479 10.94118 38.06572 11.28450 -5.840931      15.71781 
1 1 1 -5  41 23 o 30.15553 9.277948 57.63707       30.05358 31.65000       40.73490 88.68000       44.52145 24.81612 10.27268 35.38128 11.35029 -10.56516      15.30872 
1 1 1 -5  41 24 o 19.51529 8.378529 9.778110       28.73942 28.51000       38.75087 -13.12000      42.84404 24.10715 10.00288 19.66634 9.155336 4.440807       13.56016 
1 1 1 -5  41 25 o 26.73426 9.343424 44.31237       30.10474 75.44000       40.59983 6.295000       44.86856 33.04765 10.85701 21.99022 9.903785 11.05743       14.69557 
1 1 1 -5  41 26 o 17.88983 8.023437 -1.093282      29.10611 6.693000       39.18199 -10.68000      43.47669 21.01850 9.376198 19.94035 9.262427 1.078156       13.17974 
1 1 1 -5  41 27 o 32.32453 11.14877 74.32000       42.79495 74.32000       42.79495 0.000000       0.000000 32.32453 11.14877 ?        ?        ?              ?        
1 1 1 -5  41 28 o 22.77141 9.016348 27.08372       29.82822 44.93000       39.96646 4.644000       44.81573 26.78013 10.48754 21.67229 9.816161 5.107841       14.36473 
1 1 1 -5  41 29 o 19.47722 8.400930 10.04680       29.14963 -14.17000      40.00408 37.46000       42.56236 18.79345 8.781321 25.50061 10.52296 -6.707157      13.70563 
1 1 1 -5  41 30 o 15.57910 7.651865 -56.56000      40.30933 0.000000       0.000000 -56.56000      40.30933 ?        ?        15.57910 7.651865 ?              ?        
1 1 1 -5  41 31 o 18.13953 8.056278 3.073168       28.60197 9.783000       38.22554 -5.462000      43.11256 20.89312 9.294352 20.03576 9.277924 0.8573647      13.13259 
1 1 1 -5  41 32 o 37.66272 8.741961 90.05354       31.60545 54.63000       42.47449 134.0000       47.30906 27.75824 10.82873 43.03899 11.14326 -15.28075      15.53814 
1 1 1 -5  41 33 o 18.20282 8.065493 4.493026       28.50132 3.593000       38.45528 5.590000       42.45477 20.00644 9.074095 20.86381 9.490961 -0.8573704     13.13079 
1 1 1 -5  42 1  o 41.26723 5.949484 92.56698       23.33876 0.000000       0.000000 92.56698       23.33876 ?        ?        41.26723 5.949484 ?              ?        
1 1 1 -5  42 2  o 55.66745 4.554661 161.0133       24.60103 196.4000       47.24589 147.8498       28.81566 57.53868 8.656721 52.48621 5.700327 5.052467       10.36497 
1 1 1 -5  42 3  o 37.88000 5.440702 76.95227       19.59488 72.41000       42.41787 78.18453       22.09352 32.58368 11.10386 37.71866 6.199333 -5.134983      12.71721 
1 1 1 -5  42 4  o 39.19267 6.000526 83.75875       22.28820 0.000000       0.000000 83.75875       22.28820 ?        ?        39.19267 6.000526 ?              ?        
1 1 1 -5  42 5  o 16.71428 7.000430 7.025760       19.24023 0.000000       0.000000 7.025760       19.24023 ?        ?        16.71428 7.000430 ?              ?        
1 1 1 -5  42 6  o 27.91432 6.558002 43.96222       17.61242 88.40000       41.38156 34.13186       19.46325 36.20745 10.83530 24.31823 7.463560 11.88923       13.15707 
1 1 1 -5  42 7  o 14.53872 6.260655 1.879511       16.13801 12.10000       38.55315 -0.2917552     17.76972 21.86094 9.543063 14.69699 6.445702 7.163950       11.51595 
1 1 1 -5  42 8  o 21.55026 8.101036 24.08437       23.18867 42.20000       39.75533 14.74288       28.54807 26.67075 10.45533 20.43683 8.541095 6.233923       13.50053 
1 1 1 -5  42 9  o 49.42972 4.118048 125.9318       19.74359 65.32000       44.00582 141.2075       22.09188 30.90536 11.24137 52.20052 4.363547 -21.29516      12.05856 
1 1 1 -5  42 10 o 24.83805 6.977512 35.46212       17.66050 17.71000       39.24215 39.97070       19.77640 22.66304 9.760971 26.17092 7.394809 -3.507874      12.24581 
1 1 1 -5  42 11 o 21.40148 6.965855 25.55558       16.73094 14.50000       38.05959 28.20380       18.62731 22.03790 9.552398 22.33790 7.354767 -0.2999992     12.05574 
1 1 1 -5  42 12 o 17.03880 6.565879 12.56077       15.47082 11.71000       37.75272 12.73247       16.96030 21.60544 9.437265 17.45200 6.832674 4.153433       11.65107 
1 1 1 -5  42 13 o 12.42530 5.654307 -6.459655      15.08530 -53.21000      38.04448 2.261994       16.43230 15.44983 7.556158 14.71730 6.327275 0.7325315      9.855453 
1 1 1 -5  42 14 o 11.24550 5.306637 -14.25332      15.24743 -27.64000      37.86906 -11.66324      16.65730 17.33155 8.232733 12.26763 5.710194 5.063922       10.01919 
1 1 1 -5  42 15 o 45.33332 4.681727 107.7357       20.47594 59.40000       42.16131 122.6552       23.42385 29.73253 10.97242 48.14619 5.045225 -18.41365      12.07677 
1 1 1 -5  42 16 o 28.08822 6.273466 44.30215       16.81196 60.34000       39.61430 40.77908       18.56692 29.96845 10.69581 26.54582 7.033873 3.422626       12.80140 
1 1 1 -5  42 17 o 13.91779 6.189986 -2.484423      16.94531 0.000000       0.000000 -2.484423      16.94531 ?        ?        13.91779 6.189986 ?              ?        
1 1 1 -5  42 18 o 39.99822 4.496563 83.72052       17.30009 59.36000       43.13195 88.39098       18.88582 29.59113 11.06407 40.92744 4.805729 -11.33631      12.06270 
1 1 1 -5  42 19 o 20.47661 8.531332 15.86456       28.35355 31.19000       38.72849 -1.838000      41.62384 24.49343 10.06537 20.53138 9.362119 3.962046       13.74631 
1 1 1 -5  42 20 o 26.50838 9.291637 43.45493       29.78548 42.11000       41.05178 44.95000       43.28277 26.46684 10.54571 27.02979 10.80895 -0.5629559     15.10118 
1 1 1 -5  42 21 o 20.82006 8.694028 16.69445       29.54302 31.76000       40.39507 -0.6304000     43.31821 24.70628 10.22870 20.94302 9.550186 3.763260       13.99401 
1 1 1 -5  42 22 o 27.22274 9.367511 46.58406       30.20660 57.78000       40.94933 33.22000       44.73896 29.26645 10.81123 25.27723 10.63634 3.989216       15.16623 
1 1 1 -5  42 23 o 20.82829 9.534290 -1.634000      43.71637 0.000000       0.000000 -1.634000      43.71637 ?        ?        20.82829 9.534290 ?              ?        
1 1 1 -5  42 24 f 38.47478 8.492064 90.49168       31.12370 78.99000       41.67281 105.0000       46.80377 33.35558 11.00155 37.95821 11.55929 -4.602631      15.95779 
1 1 1 -5  42 25 o 28.03701 9.238720 50.17805       29.39029 44.62000       39.02678 57.46000       44.67093 26.62249 10.38158 28.89887 11.15151 -2.276384      15.23593 
1 1 1 -5  42 26 o 40.38305 10.55429 111.1000       42.17589 111.1000       42.17589 0.000000       0.000000 40.38305 10.55429 ?        ?        ?              ?        
1 1 1 -5  42 27 o 32.64993 9.006454 68.35844       29.71688 29.20000       39.32300 120.5000       45.37597 23.84751 9.999293 41.31252 11.01882 -17.46501      14.87952 
1 1 1 -5  42 28 o 37.97603 11.57474 108.2000       46.91550 0.000000       0.000000 108.2000       46.91550 ?        ?        37.97603 11.57474 ?              ?        
1 1 1 -5  42 29 o 23.99521 9.130783 34.96275       29.66836 12.39000       40.06112 62.38000       44.15124 21.38204 9.513187 29.10250 11.12303 -7.720455      14.63635 
1 1 1 -5  42 30 o 23.39227 9.059537 32.83436       29.56195 51.98000       40.27045 10.46000       43.53383 27.17663 10.56038 21.48193 9.707694 5.694698       14.34437 
1 1 1 -5  42 31 o 20.59928 8.594063 19.21366       28.82904 -11.84000      38.93758 56.89000       42.88910 18.39465 8.617167 27.85929 10.87762 -9.464632      13.87725 
1 1 1 -5  43 1  o 42.02984 5.572432 95.20558       22.36065 94.55000       39.89084 95.50594       27.00160 37.68122 10.45056 41.09748 6.960431 -3.416264      12.55635 
1 1 1 -5  43 2  o 14.65100 6.399453 0.4081547      17.35901 -6.839000      37.69724 2.358438       19.55576 19.28527 8.837567 15.79570 6.846981 3.489575       11.17961 
1 1 1 -5  43 3  o 17.10146 7.172035 7.746256       20.23579 0.000000       0.000000 7.746256       20.23579 ?        ?        17.10146 7.172035 ?              ?        
1 1 1 -5  43 4  o 21.20777 7.655297 24.16212       20.35690 0.000000       0.000000 24.16212       20.35690 ?        ?        21.20777 7.655297 ?              ?        
1 1 1 -5  43 5  o 12.64737 5.929654 -14.41309      18.50153 -24.11000      37.23177 -11.23336      21.32024 17.46018 8.255258 14.17577 6.550300 3.284411       10.53830 
1 1 1 -5  43 6  o 47.06302 4.474979 115.3672       20.36693 109.2000       44.30043 117.0202       22.93443 40.03377 10.97813 47.01395 5.063481 -6.980183      12.08959 
1 1 1 -5  43 7  o 41.96048 4.746413 92.57786       19.15263 90.25000       41.76753 93.19766       21.55209 36.30013 10.89098 41.68697 5.409235 -5.386837      12.16031 
1 1 1 -5  43 8  o 28.73783 6.224346 46.20818       17.00115 -18.23000      37.95439 62.38291       19.01555 18.15733 8.506533 33.65515 5.992013 -15.49782      10.40506 
1 1 1 -5  43 9  o 14.15456 6.576079 -12.82781      21.93022 -19.58000      36.06541 -8.866540      27.62393 17.54990 8.244231 16.49664 7.561728 1.053261       11.18692 
1 1 1 -5  43 10 o 29.58494 6.244440 49.04837       17.51412 25.60000       38.20020 55.28923       19.70749 23.54852 9.863478 31.20495 6.655297 -7.656431      11.89879 
1 1 1 -5  43 11 o 16.19823 6.812956 6.332304       18.34277 -4.984000      36.22935 10.23295       21.27044 19.09274 8.716944 17.85358 7.409747 1.239159       11.44069 
1 1 1 -5  43 12 o 25.60265 6.707464 37.57626       17.00744 47.49000       38.55376 35.18090       18.95106 27.36479 10.40968 24.55663 7.328711 2.808157       12.73073 
1 1 1 -5  43 13 f 17.53318 6.915144 12.79931       17.48308 15.73000       37.57846 11.98973       19.75080 21.98174 9.509992 17.87300 7.247005 4.108732       11.95655 
1 1 1 -5  43 14 o 16.53707 6.620113 10.28361       16.25381 -42.10000      37.71945 22.22853       18.01189 16.03303 7.768864 20.31627 7.216281 -4.283245      10.60330 
1 1 1 -5  43 15 o 15.88590 6.483203 8.169781       15.92877 -10.46000      38.11171 12.11285       17.53362 18.87374 8.734025 17.34904 6.898793 1.524698       11.12998 
1 1 1 -5  43 16 o 31.37090 6.459978 55.54430       19.17546 0.000000       0.000000 55.54430       19.17546 ?        ?        31.37090 6.459978 ?              ?        
1 1 1 -5  43 17 o 24.53163 6.779242 34.66792       16.81977 22.42000       41.65180 37.05434       18.38549 23.40331 10.06773 25.20335 7.132976 -1.800045      12.33850 
1 1 1 -5  43 18 o 16.39739 6.919203 6.442942       19.01791 33.54000       41.33279 -0.8343722     21.41999 24.98160 10.34509 15.74722 6.984001 9.234380       12.48187 
1 1 1 -5  43 19 o 26.49993 9.377311 43.95463       30.39037 39.64000       42.45230 48.49000       43.52472 25.97536 10.59033 27.45246 10.88454 -1.477100      15.18645 
1 1 1 -5  43 20 o 19.29438 8.353771 8.967477       29.04108 65.26000       40.98969 -47.77000      41.15136 30.48683 10.88000 16.39560 7.983470 14.09124       13.49482 
1 1 1 -5  43 21 o 14.58373 6.954149 -24.77932      27.55105 -37.90000      37.31373 -9.052000      40.85243 16.15908 7.804961 19.45800 9.017715 -3.298914      11.92630 
1 1 1 -5  43 22 o 19.81277 8.399792 13.11379       28.24620 21.10000       37.36132 2.459000       43.15432 22.53196 9.610346 21.05403 9.574109 1.477934       13.56548 
1 1 1 -5  43 23 o 16.58673 7.597582 -7.502885      27.81956 -47.40000      36.79786 45.72000       42.50118 15.32425 7.481059 26.74483 10.70553 -11.42058      13.06042 
1 1 1 -5  43 24 o 26.59897 10.39414 46.15000       39.18765 46.15000       39.18765 0.000000       0.000000 26.59897 10.39414 ?        ?        ?              ?        
1 1 1 -5  43 25 o 18.23181 8.067365 4.060608       28.41996 10.35000       37.20918 -4.746000      44.03015 20.78485 9.212270 20.24270 9.374586 0.5421505      13.14339 
1 1 1 -5  43 26 o 29.70863 9.264900 58.62154       29.85319 39.83000       40.01863 82.20000       44.82692 25.26789 10.28965 32.72319 11.40372 -7.455303      15.35974 
1 1 1 -5  43 27 o 24.47764 10.41319 34.55000       43.66541 0.000000       0.000000 34.55000       43.66541 ?        ?        24.47764 10.41319 ?              ?        
1 1 1 -5  43 28 o 22.21576 8.818739 27.83665       28.60337 -8.726000      37.88162 76.33000       43.62654 18.46947 8.601735 31.32927 11.21951 -12.85980      14.13744 
1 1 1 -5  43 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -5  44 1  o 28.26688 7.349468 46.96690       20.52146 26.06000       37.68231 55.78178       24.46814 23.49953 9.816347 30.35579 8.089078 -6.856258      12.71982 
1 1 1 -5  44 2  o 46.51328 5.284967 115.7514       23.63554 0.000000       0.000000 115.7514       23.63554 ?        ?        46.51328 5.284967 ?              ?        
1 1 1 -5  44 3  o 19.30935 7.100532 19.07051       17.62961 27.45000       37.20540 16.64432       20.01982 23.66437 9.808694 19.04767 7.433298 4.616697       12.30709 
1 1 1 -5  44 4  o 18.65279 7.017021 16.97413       17.40504 18.64000       38.33353 16.54152       19.53471 22.44972 9.657957 18.92436 7.354721 3.525356       12.13952 
1 1 1 -5  44 5  o 13.48837 6.042255 -3.539793      16.45353 2.483000       39.91100 -4.772981      18.05960 20.61905 9.308503 13.89859 6.269269 6.720460       11.22283 
1 1 1 -5  44 6  o 18.20940 7.167538 14.42875       18.74939 0.000000       0.000000 14.42875       18.74939 ?        ?        18.20940 7.167538 ?              ?        
1 1 1 -5  44 7  o 21.37933 7.014482 25.82180       16.94934 23.41000       37.72942 26.43160       18.97143 23.03306 9.733841 21.65174 7.424687 1.381327       12.24229 
1 1 1 -5  44 8  o 38.21440 5.538794 79.23505       20.11479 115.6000       40.81907 67.57245       23.11635 41.98710 10.06333 34.16776 7.142194 7.819344       12.34024 
1 1 1 -5  44 9  o 19.11007 7.816400 14.31836       23.21697 10.99000       38.41456 16.23377       29.14154 21.37521 9.422180 20.59703 8.620248 0.7781811      12.77052 
1 1 1 -5  44 10 o 23.61586 7.063508 32.34862       17.58943 31.30000       38.28835 32.62912       19.80272 24.33416 10.00483 23.60863 7.569425 0.7255287      12.54563 
1 1 1 -5  44 11 o 37.59382 6.078343 78.20071       21.60409 40.54000       41.90688 91.83260       25.21269 26.06789 10.56118 40.39405 6.604732 -14.32615      12.45636 
1 1 1 -5  44 12 o 45.73425 4.962649 111.0370       21.86011 85.27000       44.26374 119.3488       25.13981 34.30899 11.33935 46.96578 5.577356 -12.65679      12.63676 
1 1 1 -5  44 13 f 26.13697 6.752017 39.42506       17.39572 75.19000       42.41742 32.19354       19.07348 32.46323 11.10285 23.47442 7.417672 8.988810       13.35272 
1 1 1 -5  44 14 o 18.27890 7.138996 15.00967       18.47794 0.000000       0.000000 15.00967       18.47794 ?        ?        18.27890 7.138996 ?              ?        
1 1 1 -5  44 15 o 12.13714 5.640670 -10.60939      16.15569 -96.14000      41.23380 4.901822       17.55963 13.82085 6.939352 15.57036 6.612909 -1.749514      9.585675 
1 1 1 -5  44 16 o 36.74376 6.652144 76.73376       23.04439 23.94000       43.19040 97.74435       27.24676 23.56687 10.19558 41.27895 6.992797 -17.71208      12.36322 
1 1 1 -5  44 17 o 16.15991 6.598113 8.857439       16.50784 19.09000       39.33587 6.670069       18.18686 22.43774 9.718515 16.13029 6.784132 6.307449       11.85217 
1 1 1 -5  44 18 o 22.79922 8.961788 28.27789       29.27609 60.31000       40.16858 -8.017000      42.75791 29.40370 10.73326 19.86127 9.211880 9.542431       14.14431 
1 1 1 -5  44 19 o 15.36399 7.217796 -17.28394      27.65085 -19.52000      36.54584 -14.29000      42.28802 17.47452 8.236741 19.18081 8.983779 -1.706299      12.18820 
1 1 1 -5  44 20 o 43.32688 7.695231 111.2967       31.43961 125.1000       42.59706 94.78000       46.59624 43.08317 10.25053 35.33207 11.63237 7.751099       15.50436 
1 1 1 -5  44 21 o 30.92204 9.048388 62.19576       29.12284 45.96000       39.11555 82.39000       43.62415 26.44567 10.36974 33.16884 11.26131 -6.723177      15.30845 
1 1 1 -5  44 22 o 20.37334 8.537676 17.21273       28.64219 32.19000       38.07253 -2.317000      43.47540 23.96014 9.926005 20.30482 9.372212 3.655325       13.65152 
1 1 1 -5  44 23 o 27.52577 10.49818 53.25000       39.27633 53.25000       39.27633 0.000000       0.000000 27.52577 10.49818 ?        ?        ?              ?        
1 1 1 -5  44 24 o 20.17225 8.405507 17.91418       27.52806 28.65000       37.24615 4.990000       40.86629 23.09087 9.709931 20.44429 9.304635 2.646574       13.44838 
1 1 1 -5  44 25 o 22.81043 9.928301 24.97000       41.46774 0.000000       0.000000 24.97000       41.46774 ?        ?        22.81043 9.928301 ?              ?        
1 1 1 -5  44 26 o 26.22605 9.150393 46.23288       28.86665 24.74000       38.34680 74.34000       43.85206 22.39403 9.647078 30.59748 11.20736 -8.203449      14.78753 
1 1 1 -5  45 1  o 31.92165 7.190656 59.52262       21.92653 0.000000       0.000000 59.52262       21.92653 ?        ?        31.92165 7.190656 ?              ?        
1 1 1 -5  45 2  o 25.79197 7.476950 39.54324       19.96867 82.98000       37.65115 22.54356       23.55428 34.89086 10.30945 20.96950 8.096034 13.92136       13.10842 
1 1 1 -5  45 3  o 25.55221 7.038555 38.18404       18.16390 53.83000       37.06439 33.23882       20.83765 28.37084 10.31714 23.71945 7.777302 4.651390       12.92013 
1 1 1 -5  45 4  o 17.28863 6.867374 12.26612       17.35630 -55.61000      35.93613 32.91632       19.82143 14.58614 7.176182 23.64544 7.572166 -9.059298      10.43242 
1 1 1 -5  45 5  o 15.02629 6.394533 4.072754       16.47542 -18.69000      35.72447 10.22196       18.56790 17.40966 8.186760 17.07931 6.988463 0.3303566      10.76391 
1 1 1 -5  45 6  o 30.91648 6.137757 53.57087       17.91864 91.37000       38.55075 43.15406       20.23762 36.68017 10.31067 26.94481 7.432351 9.735357       12.71022 
1 1 1 -5  45 7  o 17.02795 6.788202 11.62125       17.01787 52.11000       38.40273 1.727360       18.98360 27.94499 10.44166 15.37171 6.703634 12.57328       12.40834 
1 1 1 -5  45 8  o 31.41725 6.179404 55.42840       18.32556 33.45000       41.70042 60.68884       20.40110 24.78185 10.33730 32.61605 6.616738 -7.834200      12.27359 
1 1 1 -5  45 9  o 29.83757 7.060065 52.08031       20.29580 0.000000       0.000000 52.08031       20.29580 ?        ?        29.83757 7.060065 ?              ?        
1 1 1 -5  45 10 o 20.34060 8.527236 16.17151       28.58902 18.64000       39.34381 13.41000       41.61356 22.32870 9.695124 21.96168 9.737615 0.3670235      13.74105 
1 1 1 -5  45 11 o 38.26303 5.794275 80.60708       21.02278 63.66000       42.21116 86.19727       24.24339 29.83799 10.98455 38.98764 6.587152 -9.149654      12.80824 
1 1 1 -5  45 12 o 17.34123 7.109468 10.83226       19.26354 21.56000       39.28643 7.436584       22.10304 22.70211 9.772019 17.33798 7.393339 5.364132       12.25373 
1 1 1 -5  45 13 o 29.23800 9.044173 55.15777       28.51238 0.000000       0.000000 55.15777       28.51238 ?        ?        29.23800 9.044173 ?              ?        
1 1 1 -5  45 14 o 28.59504 6.535737 46.95344       17.89292 34.93000       39.81357 49.99652       20.02965 24.75844 10.19311 29.17126 7.085919 -4.412817      12.41409 
1 1 1 -5  45 15 f 26.82207 6.674106 41.73088       17.45156 41.10000       38.10269 41.89837       19.63176 25.66437 10.18133 26.50479 7.323858 -0.8404217     12.54186 
1 1 1 -5  45 16 o 32.74955 5.810560 59.64062       17.94434 14.70000       38.75553 71.90414       20.24518 21.56204 9.485738 35.91078 5.969037 -14.34874      11.20753 
1 1 1 -5  45 17 o 24.42792 9.120737 36.87633       29.29015 34.13000       38.97512 40.44000       44.39767 24.34285 10.05986 25.58608 10.66909 -1.243235      14.66391 
1 1 1 -5  45 18 o 45.14447 7.507596 120.7534       32.01037 115.0000       42.87401 128.0000       48.11734 40.26054 10.69822 41.45152 11.47060 -1.190987      15.68523 
1 1 1 -5  45 19 o 48.91987 6.979224 138.7829       32.47299 127.9000       43.21344 152.9000       49.21765 42.90960 10.39871 46.17965 11.03864 -3.270046      15.16525 
1 1 1 -5  45 20 o 27.17843 9.292680 49.57926       29.71325 34.01000       39.46716 69.95000       45.14453 24.06250 10.04843 29.97911 11.29601 -5.916609      15.11856 
1 1 1 -5  45 21 o 34.03509 10.90811 87.90000       41.12720 87.90000       41.12720 0.000000       0.000000 34.03509 10.90811 ?        ?        ?              ?        
1 1 1 -5  45 22 o 22.04221 8.848358 27.38939       29.12047 44.78000       38.76239 4.858000       44.12117 25.60313 10.23215 20.73879 9.524857 4.864340       13.97926 
1 1 1 -5  45 23 o 20.62736 9.452406 6.283000       43.12222 0.000000       0.000000 6.283000       43.12222 ?        ?        20.62736 9.452406 ?              ?        
1 1 1 -5  46 1  o 26.23773 8.231070 42.66893       23.52650 29.89000       34.75742 53.47444       31.96119 23.45665 9.575351 28.33507 9.638843 -4.878412      13.58656 
1 1 1 -5  46 2  o 13.99376 6.238905 -2.163773      17.32193 -3.806000      34.47433 -1.609144      20.03458 18.56184 8.485435 15.04443 6.708342 3.517412       10.81686 
1 1 1 -5  46 3  o 23.93843 7.582580 34.26067       19.92021 -12.48000      35.60343 55.56017       24.03417 17.86733 8.327247 30.05631 8.020535 -12.18899      11.56166 
1 1 1 -5  46 4  o 27.20808 6.738789 43.07725       17.85234 13.30000       35.98368 52.79963       20.56125 21.02698 9.198400 29.93418 7.121392 -8.907207      11.63292 
1 1 1 -5  46 5  o 24.13923 7.063080 34.33583       17.74572 54.87000       36.64355 28.04455       20.28283 28.31922 10.26416 22.02237 7.671052 6.296858       12.81398 
1 1 1 -5  46 6  o 13.27122 5.994512 -4.569880      16.57740 -30.35000      34.75125 3.024825       18.86181 16.01384 7.682797 15.52236 6.726462 0.4914865      10.21130 
1 1 1 -5  46 7  o 12.00826 5.622241 -12.28487      16.53616 24.83000       34.81882 -23.09412      18.79048 22.60300 9.438492 11.59592 5.585343 11.00708       10.96728 
1 1 1 -5  46 8  o 12.53618 5.768314 -8.139983      16.28656 -2.552000      35.20070 -9.662027      18.37119 18.84374 8.599070 13.14232 6.075472 5.701423       10.52879 
1 1 1 -5  46 9  o 25.14014 7.266154 37.76677       18.88461 54.99000       37.07568 31.73295       21.94462 28.19101 10.30844 23.06478 7.982198 5.126226       13.03762 
1 1 1 -5  46 10 o 17.85633 7.519859 10.22950       22.39152 23.00000       36.01261 2.180912       28.58975 22.31491 9.473547 17.93856 8.005263 4.376348       12.40292 
1 1 1 -5  46 11 o 21.72026 7.545099 27.45489       19.61538 0.000000       0.000000 27.45489       19.61538 ?        ?        21.72026 7.545099 ?              ?        
1 1 1 -5  46 12 o 15.32535 6.931525 -3.794665      22.25157 0.000000       0.000000 -3.794665      22.25157 ?        ?        15.32535 6.931525 ?              ?        
1 1 1 -5  46 13 o 16.78320 6.770977 11.20687       17.14397 -22.70000      38.06123 19.83717       19.20224 17.29628 8.226726 19.45137 7.358699 -2.155096      11.03764 
1 1 1 -5  46 14 o 23.89924 8.679756 35.52275       26.22164 47.02000       40.53576 27.25000       34.38478 26.25821 10.47372 22.64957 9.412400 3.608641       14.08162 
1 1 1 -5  46 15 o 24.40692 7.490834 36.40058       19.60572 35.15000       40.00762 36.79581       22.49150 24.22423 10.11656 24.28891 8.084883 -0.6467819E-01 12.95029 
1 1 1 -5  46 16 o 33.53772 7.072482 66.91483       22.48515 77.77000       39.71252 61.79288       27.27889 32.10938 10.74425 30.73095 8.685507 1.378435       13.81582 
1 1 1 -5  46 17 o 24.37740 9.101873 38.54730       29.16912 55.57000       38.59063 15.86000       44.55117 27.52867 10.42798 21.90677 9.867229 5.621902       14.35636 
1 1 1 -5  46 18 o 14.29974 6.855003 -24.65528      27.54399 -1.709000      36.04956 -56.84000      42.69418 18.68956 8.593202 15.73933 7.758648 2.950229       11.57755 
1 1 1 -5  46 19 o 19.33935 8.332148 13.43798       28.61219 27.81000       37.51477 -6.548000      44.23909 22.64243 9.642882 19.55040 9.167074 3.092031       13.30490 
1 1 1 -5  47 1  o 22.39808 8.399742 29.53187       24.89858 0.000000       0.000000 29.53187       24.89858 ?        ?        22.39808 8.399742 ?              ?        
1 1 1 -5  47 2  o 18.90897 7.701873 15.69933       22.42695 37.21000       31.98623 -5.100753      31.45348 24.34604 9.425112 17.53649 8.049680 6.809544       12.39476 
1 1 1 -5  47 3  o 18.62390 7.032000 17.84106       17.51544 18.18000       32.88370 17.70682       20.69559 20.99210 8.986420 19.07459 7.523506 1.917513       11.72002 
1 1 1 -5  47 4  o 48.69550 4.953650 127.4245       23.28299 90.43000       40.27522 145.9937       28.53420 35.02579 10.73385 51.35690 5.776279 -16.33111      12.18938 
1 1 1 -5  47 5  o 29.80212 6.597532 51.81300       18.73689 69.87000       37.74990 45.91041       21.58313 30.86784 10.47576 27.21111 7.737596 3.656725       13.02351 
1 1 1 -5  47 6  o 20.32224 7.112916 23.57690       17.45079 55.39000       36.59818 14.21553       19.85300 27.86492 10.23326 18.05475 7.285490 9.810173       12.56177 
1 1 1 -5  47 7  o 14.98875 6.543996 2.238044       18.13413 2.765000       35.42311 2.050898       21.11007 19.21729 8.713322 15.85710 6.987456 3.360189       11.16900 
1 1 1 -5  47 8  o 25.66585 7.325325 40.21048       19.30897 53.20000       36.70235 35.23940       22.70507 27.30870 10.20707 23.77248 8.123329 3.536221       13.04503 
1 1 1 -5  47 9  o 21.90731 7.172909 28.62180       17.72755 53.20000       35.91676 20.70572       20.38343 27.31026 10.11848 19.69459 7.550123 7.615669       12.62490 
1 1 1 -5  47 10 o 20.06241 7.610588 22.14471       20.57255 0.000000       0.000000 22.14471       20.57255 ?        ?        20.06241 7.610588 ?              ?        
1 1 1 -5  47 11 o 22.83476 8.115698 32.26150       22.78468 13.76000       36.54381 44.02776       29.14269 20.61660 9.134037 25.59479 9.169402 -4.978184      12.94251 
1 1 1 -5  47 12 o 37.68202 6.175630 81.20469       21.98997 90.30000       39.54641 77.13371       26.45741 34.57005 10.64403 35.13240 7.887432 -0.5623474     13.24791 
1 1 1 -5  47 13 o 14.82859 6.431369 3.204612       17.27343 -9.377000      35.82215 7.016329       19.71714 17.78755 8.310770 16.31454 6.970646 1.473011       10.84706 
1 1 1 -5  47 14 o 38.14736 6.319691 83.80682       22.77205 45.43000       38.85687 103.8826       28.10410 25.45348 10.21994 41.72435 7.137739 -16.27087      12.46573 
1 1 1 -5  48 1  o 32.99425 6.477863 63.61035       20.17362 0.000000       0.000000 63.61035       20.17362 ?        ?        32.99425 6.477863 ?              ?        
1 1 1 -5  48 2  o 26.77093 8.464740 47.29115       24.83471 0.000000       0.000000 47.29115       24.83471 ?        ?        26.77093 8.464740 ?              ?        
1 1 1 -5  48 3  o 23.71363 7.397287 34.78334       19.02932 0.000000       0.000000 34.78334       19.02932 ?        ?        23.71363 7.397287 ?              ?        
1 1 1 -5  48 4  o 17.74227 7.135905 14.28764       18.97820 30.43000       34.42805 7.241339       22.74623 22.75234 9.433508 17.06853 7.391610 5.683805       11.98445 
1 1 1 -5  48 5  o 19.60328 7.395709 21.28962       19.36511 -14.47000      33.67495 38.95789       23.67051 16.77463 7.906769 24.53358 8.295524 -7.758945      11.46005 
1 1 1 -5  48 6  o 25.08333 7.521176 39.46608       19.92384 20.35000       36.16284 47.79764       23.87405 21.26632 9.263659 27.01250 8.261529 -5.746189      12.41242 
1 1 1 -5  48 7  f 17.88143 8.329664 -6.506000      35.55346 -6.506000      35.55346 0.000000       0.000000 17.88143 8.329664 ?        ?        ?              ?        
1 1 1 -4  0  1  o 385.9370 10.32928 7315.963       389.5729 7315.963       389.5729 7315.963       389.5729 385.9370 10.32928 385.9370 10.32928 -0.000000      0.000000 
1 1 1 -4  0  2  o 521.3837 13.79709 13366.94       703.0130 13366.94       703.0130 13366.94       703.0130 521.3837 13.79709 521.3837 13.79709 0.000000       0.000000 
1 1 1 -4  0  3  o 526.7373 13.93420 13644.80       717.2900 13644.80       717.2900 13644.80       717.2900 526.7373 13.93420 526.7373 13.93420 0.000000       0.000000 
1 1 1 -4  0  4  o 254.7278 7.069108 3185.325       175.9504 3185.325       175.9504 3185.325       175.9504 254.7278 7.069108 254.7278 7.069108 0.000000       0.000000 
1 1 1 -4  0  5  o 133.3269 4.322591 872.9855       56.27711 872.9855       56.27711 872.9855       56.27711 133.3269 4.322591 133.3269 4.322591 -0.000000      0.000000 
1 1 1 -4  0  6  o 87.15343 3.592837 373.7225       30.53117 373.7225       30.53117 373.7225       30.53117 87.15343 3.592837 87.15343 3.592837 0.000000       0.000000 
1 1 1 -4  0  7  o 176.5222 5.259342 1529.946       90.69076 1529.946       90.69076 1529.946       90.69076 176.5222 5.259342 176.5222 5.259342 -0.000000      0.000000 
1 1 1 -4  0  8  o 281.5182 7.747588 3893.323       213.1252 3893.323       213.1252 3893.323       213.1252 281.5182 7.747588 281.5182 7.747588 -0.000000      0.000000 
1 1 1 -4  0  9  o 10.79985 6.643106 4.400278       13.62435 4.400278       13.62435 4.400278       13.62435 10.79985 6.643106 10.79985 6.643106 0.000000       0.000000 
1 1 1 -4  0  10 o 119.0260 4.178383 696.2427       48.54446 696.2427       48.54446 696.2427       48.54446 119.0260 4.178383 119.0260 4.178383 -0.000000      0.000000 
1 1 1 -4  0  11 o 29.25255 6.940256 48.34007       17.25052 48.34007       17.25052 48.34007       17.25052 29.25255 6.940256 29.25255 6.940256 -0.000000      0.000000 
1 1 1 -4  0  12 o 69.53783 3.966150 239.0254       26.79330 239.0254       26.79330 239.0254       26.79330 69.53783 3.966150 69.53783 3.966150 -0.000000      0.000000 
1 1 1 -4  0  13 o 318.5880 8.682473 4983.871       270.3020 4983.871       270.3020 4983.871       270.3020 318.5880 8.682473 318.5880 8.682473 -0.000000      0.000000 
1 1 1 -4  0  14 o 706.0724 18.59251 24551.42       1282.958 24551.42       1282.958 24551.42       1282.958 706.0724 18.59251 706.0724 18.59251 -0.000000      0.000000 
1 1 1 -4  0  15 o 729.1675 19.18720 26183.96       1367.303 26183.96       1367.303 26183.96       1367.303 729.1675 19.18720 729.1675 19.18720 -0.000000      0.000000 
1 1 1 -4  0  16 o 899.7059 23.65941 39955.80       2080.326 39955.80       2080.326 39955.80       2080.326 899.7059 23.65941 899.7059 23.65941 -0.000000      0.000000 
1 1 1 -4  0  17 o 953.0969 35.87849 45340.00       3336.384 45340.00       3336.384 45340.00       3336.384 953.0969 35.87849 953.0969 35.87849 0.000000       0.000000 
1 1 1 -4  0  18 o 141.3422 6.900015 985.3000       94.94040 985.3000       94.94040 985.3000       94.94040 141.3422 6.900015 141.3422 6.900015 -0.000000      0.000000 
1 1 1 -4  0  19 o 117.8944 4.571369 683.5021       52.57238 683.5021       52.57238 683.5021       52.57238 117.8944 4.571369 117.8944 4.571369 -0.000000      0.000000 
1 1 1 -4  0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  21 o 125.8777 6.654782 782.6000       81.46874 782.6000       81.46874 782.6000       81.46874 125.8777 6.654782 125.8777 6.654782 -0.000000      0.000000 
1 1 1 -4  0  22 o 237.8074 9.666707 2787.000       224.1675 2787.000       224.1675 2787.000       224.1675 237.8074 9.666707 237.8074 9.666707 0.000000       0.000000 
1 1 1 -4  0  23 o 316.1799 8.675059 4912.895       268.0237 4912.895       268.0237 4912.895       268.0237 316.1799 8.675059 316.1799 8.675059 -0.000000      0.000000 
1 1 1 -4  0  24 o 257.4753 7.258349 3257.176       182.5990 3257.176       182.5990 3257.176       182.5990 257.4753 7.258349 257.4753 7.258349 -0.000000      0.000000 
1 1 1 -4  0  25 o 113.7412 4.539196 636.6061       50.35303 636.6061       50.35303 636.6061       50.35303 113.7412 4.539196 113.7412 4.539196 -0.000000      0.000000 
1 1 1 -4  0  26 o 312.4184 8.624490 4800.651       263.2857 4800.651       263.2857 4800.651       263.2857 312.4184 8.624490 312.4184 8.624490 0.000000       0.000000 
1 1 1 -4  0  27 o 323.9885 8.887986 5165.227       281.3841 5165.227       281.3841 5165.227       281.3841 323.9885 8.887986 323.9885 8.887986 -0.000000      0.000000 
1 1 1 -4  0  28 o 150.3585 5.043873 1111.417       74.04373 1111.417       74.04373 1111.417       74.04373 150.3585 5.043873 150.3585 5.043873 0.000000       0.000000 
1 1 1 -4  0  29 o 242.8091 6.957041 2899.104       165.0398 2899.104       165.0398 2899.104       165.0398 242.8091 6.957041 242.8091 6.957041 0.000000       0.000000 
1 1 1 -4  0  30 o 162.5737 5.279974 1299.441       83.82011 1299.441       83.82011 1299.441       83.82011 162.5737 5.279974 162.5737 5.279974 0.000000       0.000000 
1 1 1 -4  0  31 o 158.7767 5.248483 1239.712       81.36716 1239.712       81.36716 1239.712       81.36716 158.7767 5.248483 158.7767 5.248483 -0.000000      0.000000 
1 1 1 -4  0  32 o 79.52763 5.029241 313.7056       38.78622 313.7056       38.78622 313.7056       38.78622 79.52763 5.029241 79.52763 5.029241 -0.000000      0.000000 
1 1 1 -4  0  33 o 287.0416 8.039240 4059.294       225.4733 4059.294       225.4733 4059.294       225.4733 287.0416 8.039240 287.0416 8.039240 -0.000000      0.000000 
1 1 1 -4  0  34 o 90.38512 4.890515 404.0547       42.97575 404.0547       42.97575 404.0547       42.97575 90.38512 4.890515 90.38512 4.890515 0.000000       0.000000 
1 1 1 -4  0  35 o 146.2407 5.148800 1053.035       73.49477 1053.035       73.49477 1053.035       73.49477 146.2407 5.148800 146.2407 5.148800 -0.000000      0.000000 
1 1 1 -4  0  36 o 259.6217 7.428343 3326.353       188.4232 3326.353       188.4232 3326.353       188.4232 259.6217 7.428343 259.6217 7.428343 -0.000000      0.000000 
1 1 1 -4  0  37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  0  38 o 100.8126 7.316953 509.2000       71.31021 509.2000       71.31021 509.2000       71.31021 100.8126 7.316953 100.8126 7.316953 -0.000000      0.000000 
1 1 1 -4  0  39 o 21.90273 11.10546 35.25402       29.68388 35.25402       29.68388 35.25402       29.68388 21.90273 11.10546 21.90273 11.10546 0.000000       0.000000 
1 1 1 -4  0  40 o 105.3810 6.901351 555.8000       70.47707 555.8000       70.47707 555.8000       70.47707 105.3810 6.901351 105.3810 6.901351 0.000000       0.000000 
1 1 1 -4  0  41 o 16.79801 10.84878 0.9990000      41.61498 0.9990000      41.61498 0.9990000      41.61498 16.79801 10.84878 16.79801 10.84878 0.000000       0.000000 
1 1 1 -4  0  42 o 68.93138 5.905401 239.8044       39.14521 239.8044       39.14521 239.8044       39.14521 68.93138 5.905401 68.93138 5.905401 -0.000000      0.000000 
1 1 1 -4  0  43 o 94.13622 5.168917 441.1574       47.29750 441.1574       47.29750 441.1574       47.29750 94.13622 5.168917 94.13622 5.168917 -0.000000      0.000000 
1 1 1 -4  0  44 o 105.5391 5.066091 553.6026       52.05904 553.6026       52.05904 553.6026       52.05904 105.5391 5.066091 105.5391 5.066091 -0.000000      0.000000 
1 1 1 -4  0  45 o 19.72003 11.01104 27.54352       31.71366 27.54352       31.71366 27.54352       31.71366 19.72003 11.01104 19.72003 11.01104 -0.000000      0.000000 
1 1 1 -4  0  46 o 77.15585 5.633137 299.6127       42.01051 299.6127       42.01051 299.6127       42.01051 77.15585 5.633137 77.15585 5.633137 -0.000000      0.000000 
1 1 1 -4  0  47 o 30.06833 11.79567 63.37963       33.24131 63.37963       33.24131 63.37963       33.24131 30.06833 11.79567 30.06833 11.79567 0.000000       0.000000 
1 1 1 -4  0  48 o 25.17808 11.72718 48.14050       32.12756 48.14050       32.12756 48.14050       32.12756 25.17808 11.72718 25.17808 11.72718 -0.000000      0.000000 
1 1 1 -4  0  49 o 66.35699 5.973017 225.1633       38.03782 225.1633       38.03782 225.1633       38.03782 66.35699 5.973017 66.35699 5.973017 -0.000000      0.000000 
1 1 1 -4  0  50 o 19.92673 10.93406 30.07707       30.65522 30.07707       30.65522 30.07707       30.65522 19.92673 10.93406 19.92673 10.93406 -0.000000      0.000000 
1 1 1 -4  0  51 f 23.41905 11.62246 43.12622       32.16302 43.12622       32.16302 43.12622       32.16302 23.41905 11.62246 23.41905 11.62246 -0.000000      0.000000 
1 1 1 -4  0  52 o 33.74126 11.57905 76.75261       34.37418 76.75261       34.37418 76.75261       34.37418 33.74126 11.57905 33.74126 11.57905 -0.000000      0.000000 
1 1 1 -4  0  53 o 45.14211 14.14243 137.0000       54.82898 137.0000       54.82898 137.0000       54.82898 45.14211 14.14243 45.14211 14.14243 -0.000000      0.000000 
1 1 1 -4  0  54 o 19.13936 10.91558 27.25719       32.04030 27.25719       32.04030 27.25719       32.04030 19.13936 10.91558 19.13936 10.91558 -0.000000      0.000000 
1 1 1 -4  0  55 o 13.68829 9.387422 -20.31000      40.38134 -20.31000      40.38134 -20.31000      40.38134 13.68829 9.387422 13.68829 9.387422 0.000000       0.000000 
1 1 1 -4  0  56 o 24.37749 11.68982 47.65599       32.13133 47.65599       32.13133 47.65599       32.13133 24.37749 11.68982 24.37749 11.68982 -0.000000      0.000000 
1 1 1 -4  0  57 o 39.86416 14.09946 114.3000       50.00335 114.3000       50.00335 114.3000       50.00335 39.86416 14.09946 39.86416 14.09946 -0.000000      0.000000 
1 1 1 -4  0  58 o 28.82800 12.04672 63.07125       34.02631 63.07125       34.02631 63.07125       34.02631 28.82800 12.04672 28.82800 12.04672 -0.000000      0.000000 
1 1 1 -4  0  59 o 17.67871 10.52722 21.35270       31.96869 21.35270       31.96869 21.35270       31.96869 17.67871 10.52722 17.67871 10.52722 0.000000       0.000000 
1 1 1 -4  0  60 o 12.83309 8.653543 -9.345181      31.43005 -9.345181      31.43005 -9.345181      31.43005 12.83309 8.653543 12.83309 8.653543 -0.000000      0.000000 
1 1 1 -4  0  61 o 40.41766 9.910565 99.22343       33.95428 99.22343       33.95428 99.22343       33.95428 40.41766 9.910565 40.41766 9.910565 -0.000000      0.000000 
1 1 1 -4  0  62 o 15.50735 10.44741 -8.491000      45.61532 -8.491000      45.61532 -8.491000      45.61532 15.50735 10.44741 15.50735 10.44741 -0.000000      0.000000 
1 1 1 -4  0  63 o 31.63231 10.58623 68.25514       29.22807 68.25514       29.22807 68.25514       29.22807 31.63231 10.58623 31.63231 10.58623 0.000000       0.000000 
1 1 1 -4  1  1  o 321.6284 6.145832 5067.972       193.4823 4934.883       269.5360 5209.457       277.9066 317.0951 8.692225 325.8004 8.722319 -8.705353      12.31396 
1 1 1 -4  1  2  o 262.4115 5.903888 3373.366       151.6447 3787.000       283.5797 3207.715       179.4592 277.5518 10.45688 255.7280 7.176469 21.82387       12.68259 
1 1 1 -4  1  3  o 248.7486 4.876102 3030.367       118.7243 2878.962       162.4056 3204.155       173.9961 242.2773 6.855180 255.5966 6.961179 -13.31931      9.769928 
1 1 1 -4  1  4  o 343.4363 9.265889 5791.800       311.2021 5420.000       420.2985 6243.000       463.0073 331.6867 12.97064 355.9543 13.31230 -24.26758      18.58642 
1 1 1 -4  1  5  o 335.7489 6.395088 5524.421       210.1684 5631.235       301.1804 5423.043       293.4175 338.6266 9.094793 332.3117 9.028941 6.314941       12.81550 
1 1 1 -4  1  6  o 276.3747 5.359305 3742.218       144.9816 3741.497       205.0097 3742.939       205.0603 276.0985 7.593059 276.1516 7.593466 -0.5316162E-01 10.73849 
1 1 1 -4  1  7  o 446.3912 8.378003 9781.264       366.0685 9747.000       516.4499 9815.860       518.9572 444.7899 11.87287 446.3555 11.88862 -1.565613      16.80191 
1 1 1 -4  1  8  o 112.9473 2.833206 624.9985       31.29806 611.3580       43.81255 639.2136       44.72588 111.6480 4.015588 114.1668 4.008548 -2.518822      5.673923 
1 1 1 -4  1  9  o 185.6509 3.864216 1688.209       70.22061 1713.000       100.0921 1664.180       98.53995 186.8520 5.478546 184.1683 5.472341 2.683655       7.743447 
1 1 1 -4  1  10 o 264.1211 5.166008 3418.970       133.5563 3439.792       189.6137 3398.469       188.1490 264.6349 7.327140 263.0409 7.314662 1.593994       10.35332 
1 1 1 -4  1  11 o 430.4260 8.101287 9094.306       341.3176 8983.793       478.7046 9208.583       486.7889 427.0145 11.46336 432.3149 11.51386 -5.300415      16.24739 
1 1 1 -4  1  12 o 494.2713 9.250010 11993.32       447.5214 11802.58       626.1602 12192.49       639.8431 489.4044 13.08281 497.4102 13.15327 -8.005798      18.55178 
1 1 1 -4  1  13 o 139.1447 3.242074 947.8472       44.15661 918.7887       61.54765 978.6681       63.38671 136.8975 4.599674 141.2934 4.589302 -4.395935      6.497591 
1 1 1 -4  1  14 o 239.2953 4.769980 2804.025       111.7267 2741.165       155.7597 2870.645       160.3513 236.4381 6.737119 241.9596 6.777218 -5.521423      9.556122 
1 1 1 -4  1  15 o 451.3971 8.472945 9988.516       374.3686 9731.983       519.9186 10264.73       539.4982 445.0466 11.94584 457.0557 12.06966 -12.00906      16.98174 
1 1 1 -4  1  16 o 284.8421 6.406099 3974.659       178.6093 3924.067       216.9756 4081.000       314.5721 282.8477 7.844614 288.1315 11.17500 -5.283844      13.65352 
1 1 1 -4  1  17 o 325.6418 7.223771 5196.492       230.2557 5095.877       278.2631 5415.000       410.0706 322.2523 8.830045 331.7430 12.65165 -9.490723      15.42835 
1 1 1 -4  1  18 o 217.2272 5.142323 2311.014       109.3402 2313.000       190.0245 2310.031       133.6887 216.9849 8.966246 217.0527 6.299163 -0.6781006E-01 10.95778 
1 1 1 -4  1  19 o 347.6296 7.686544 5924.222       261.5496 6202.000       466.7773 5797.093       315.7786 354.8263 13.46407 343.6110 9.397610 11.21533       16.41939 
1 1 1 -4  1  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  1  21 o 367.0725 8.098789 6610.667       290.9900 5967.000       468.5718 7014.735       371.2560 347.6678 13.79649 377.7428 10.04979 -30.07501      17.06873 
1 1 1 -4  1  22 o 240.5941 5.585353 2836.843       131.5351 2805.701       159.9088 2902.000       231.3018 239.0917 6.839876 242.8112 9.751881 -3.719528      11.91147 
1 1 1 -4  1  23 o 263.2922 6.017753 3398.949       155.0881 3349.491       188.0857 3504.000       274.1172 261.1482 7.365405 266.6263 10.52400 -5.478088      12.84538 
1 1 1 -4  1  24 o 320.7824 7.155340 5051.207       224.6710 5009.293       273.5929 5138.000       393.7048 319.0915 8.767892 322.3053 12.50321 -3.213867      15.27109 
1 1 1 -4  1  25 o 148.4083 4.052874 1079.911       58.81943 1010.000       99.05241 1117.991       73.10421 143.2439 7.086520 150.9369 4.954841 -7.692993      8.646919 
1 1 1 -4  1  26 o 324.7947 6.268157 5177.613       199.2760 5136.226       280.3840 5219.858       283.2760 322.9128 8.879205 325.5285 8.898608 -2.615662      12.57082 
1 1 1 -4  1  27 o 238.0348 5.548362 2779.971       129.2741 2805.000       224.7911 2767.603       158.0188 238.3116 9.656688 237.2584 6.811308 1.053192       11.81717 
1 1 1 -4  1  28 o 155.3975 4.176481 1184.531       63.46975 1166.637       77.15028 1222.000       111.6424 154.1305 5.120898 157.4824 7.262090 -3.351944      8.886030 
1 1 1 -4  1  29 o 212.8055 4.420838 2220.487       92.08600 2201.989       129.5839 2239.357       130.8844 211.6282 6.262524 213.4163 6.272279 -1.788132      8.863447 
1 1 1 -4  1  30 o 161.9573 3.714323 1285.542       58.88252 1251.560       82.08187 1321.569       84.51642 159.6040 5.261278 164.0106 5.271417 -4.406631      7.447743 
1 1 1 -4  1  31 o 185.0770 4.035011 1679.421       73.09766 1637.845       101.9144 1723.469       104.9017 182.5196 5.711557 187.2314 5.730723 -4.711807      8.090925 
1 1 1 -4  1  32 o 368.0085 7.065069 6668.821       254.4957 6639.033       358.9919 6698.917       360.8377 365.9212 10.03231 367.5660 10.03869 -1.644775      14.19234 
1 1 1 -4  1  33 o 193.8988 4.184567 1844.367       79.42036 1803.640       110.9630 1887.144       113.7225 191.4294 5.929078 195.8127 5.940213 -4.383255      8.392859 
1 1 1 -4  1  34 o 155.2667 3.706344 1182.380       56.32879 1187.096       79.87426 1177.713       79.44933 155.3208 5.261363 154.7062 5.254203 0.6146393      7.435630 
1 1 1 -4  1  35 f 182.7524 4.056648 1639.403       72.56657 1685.730       104.2791 1595.903       101.0464 184.9500 5.767241 179.9550 5.743907 4.994919       8.139627 
1 1 1 -4  1  36 o 162.9862 4.431131 1306.550       70.62663 1237.462       83.79657 1476.000       131.2340 158.4219 5.411815 172.3679 7.798484 -13.94600      9.492317 
1 1 1 -4  1  37 o 177.7479 4.662289 1555.903       81.04660 1621.945       100.9284 1436.000       135.9924 181.2087 5.697288 169.6490 8.213902 11.55968       9.996363 
1 1 1 -4  1  38 o 155.8621 3.746439 1194.074       57.15648 1150.009       79.44159 1241.365       82.29693 152.5331 5.328996 158.4875 5.312470 -5.954483      7.524662 
1 1 1 -4  1  39 o 154.3962 5.297389 1179.949       79.93938 0.000000       0.000000 1179.949       79.93938 ?        ?        154.3962 5.297389 ?              ?        
1 1 1 -4  1  40 o 97.82324 4.025303 472.3223       38.46078 444.3000       65.01054 487.4113       47.70474 94.02828 7.116317 99.16901 4.929958 -5.140724      8.657162 
1 1 1 -4  1  41 o 95.68238 4.068240 452.5549       38.01478 472.9414       47.21864 415.0000       64.08789 97.58479 4.959657 90.62390 7.286178 6.960892       8.813999 
1 1 1 -4  1  42 o 141.9182 4.246484 996.4969       58.92301 983.4450       71.98424 1023.000       102.5766 140.5883 5.240139 142.2498 7.392358 -1.661591      9.061237 
1 1 1 -4  1  43 o 22.82469 8.042896 23.76473       22.33806 -0.8685544     31.49499 48.70003       31.68747 20.21368 8.725546 30.63340 9.544047 -10.41972      12.93151 
1 1 1 -4  1  44 f 87.67480 3.663706 380.2873       31.37210 378.1728       44.31803 382.4111       44.41582 86.94862 5.231485 87.44276 5.212947 -0.4941483     7.385341 
1 1 1 -4  1  45 o 51.55348 4.962948 133.5903       24.73490 136.5517       34.86475 130.5893       35.09728 51.43847 7.114863 50.19452 7.362236 1.243954       10.23835 
1 1 1 -4  1  46 o 45.06078 5.656323 103.3931       24.39993 143.9725       34.54092 62.97416       34.47260 52.86375 6.835114 34.08366 9.806881 18.78010       11.95381 
1 1 1 -4  1  47 o 64.83080 4.300580 210.1108       27.13643 251.6768       39.29239 172.2057       37.52219 70.42207 5.750261 57.75812 6.764990 12.66394       8.878659 
1 1 1 -4  1  48 o 30.41991 7.769786 49.96624       23.21503 20.17311       32.41612 81.33499       33.26225 23.72404 9.397501 38.45536 8.997372 -14.73131      13.01022 
1 1 1 -4  1  49 o 65.30457 4.211343 214.0246       26.77619 216.1517       37.96574 211.9194       37.76953 64.78886 6.056871 64.12953 6.089957 0.6593246      8.589136 
1 1 1 -4  1  50 o 45.59918 5.380166 106.8614       23.55188 98.44442       33.06481 115.5301       33.55539 42.43858 8.257013 46.37588 7.659165 -3.937298      11.26237 
1 1 1 -4  1  51 o 23.72681 8.142403 28.69495       22.81765 25.45259       32.39579 31.88704       32.14374 24.42884 9.477554 25.73582 9.565297 -1.306976      13.46547 
1 1 1 -4  1  52 o 52.83203 5.981350 145.2022       30.38815 144.5084       36.39230 146.8000       55.22850 51.94396 7.363781 49.38478 11.62030 2.559174       13.75706 
1 1 1 -4  1  53 o 45.24683 5.721020 106.6497       24.77229 98.26505       34.59056 115.4777       35.49353 41.81737 8.732978 45.73475 8.231249 -3.917377      12.00076 
1 1 1 -4  1  54 o 63.79401 6.282433 213.6202       38.72111 0.000000       0.000000 213.6202       38.72111 ?        ?        63.79401 6.282433 ?              ?        
1 1 1 -4  1  55 o 26.24978 8.074100 38.39151       22.76231 60.51667       32.46238 16.99167       31.92585 32.08295 9.595846 22.30985 9.150167 9.773108       13.25918 
1 1 1 -4  1  56 f 41.70034 7.097393 94.95487       27.93294 75.77551       35.01936 128.5000       46.31331 35.61980 9.757800 46.05374 10.50688 -10.43394      14.33908 
1 1 1 -4  1  57 o 25.98163 8.185954 37.73699       23.24492 45.63866       33.53352 30.42838       32.25058 28.30786 9.863293 24.87315 9.506517 3.434706       13.69885 
1 1 1 -4  1  58 o 38.24409 7.812981 82.14639       28.25806 96.85781       34.36514 51.43000       49.65650 40.91715 8.839058 30.12588 11.72097 10.79128       14.68026 
1 1 1 -4  1  59 o 23.98377 8.149046 31.15722       22.84396 42.21746       32.20907 19.96251       32.40427 27.36054 9.656371 22.77235 9.264458 4.588188       13.38192 
1 1 1 -4  1  60 o 25.27803 8.166398 35.81257       23.01980 42.70567       32.50022 28.87286       32.60989 27.38766 9.696799 24.42476 9.499653 2.962900       13.57466 
1 1 1 -4  1  61 o 28.70723 8.830971 48.26693       27.22889 56.70437       33.27618 31.17000       47.36824 30.62561 9.811511 26.52357 11.03694 4.102034       14.76753 
1 1 1 -4  1  62 o 33.19439 6.881091 61.37462       21.62295 71.17746       24.28429 23.86000       47.50615 35.61131 7.214296 25.30074 10.81531 10.31056       13.00066 
1 1 1 -4  1  63 o 19.09550 8.204996 6.897900       27.60361 6.897900       27.60361 0.000000       0.000000 19.09550 8.204996 ?        ?        ?              ?        
1 1 1 -4  2  1  o 696.2444 12.92017 23837.16       880.5141 23822.43       1244.540 23851.93       1245.931 694.1364 18.33320 694.5627 18.34241 -0.4263916     25.93358 
1 1 1 -4  2  2  o 438.8916 8.230490 9445.881       353.5811 9475.840       501.2377 9416.207       498.8494 438.9987 11.67508 437.6175 11.65616 1.381226       16.49768 
1 1 1 -4  2  3  o 255.6165 4.996814 3200.218       125.0225 3200.943       177.2086 3199.500       176.4111 255.4502 7.094032 255.3951 7.063575 0.5516052E-01  10.01096 
1 1 1 -4  2  4  o 409.9011 7.712745 8238.595       309.4527 8330.493       440.8829 8149.358       434.4522 411.6432 10.95171 407.1469 10.91130 4.496307       15.45951 
1 1 1 -4  2  5  o 389.1906 7.344108 7426.919       279.7742 7543.438       399.9009 7315.214       391.5521 391.7231 10.43889 385.7575 10.37920 5.965607       14.72067 
1 1 1 -4  2  6  o 297.1877 5.722247 4328.021       166.4576 4339.383       235.8510 4316.743       234.9646 297.2772 8.112900 296.5013 8.103582 0.7759399      11.46679 
1 1 1 -4  2  7  o 202.1930 4.115354 2002.349       81.44784 1999.746       115.0098 2004.967       115.3603 201.9007 5.825659 202.1635 5.835822 -0.2627716     8.245915 
1 1 1 -4  2  8  o 274.4249 5.334918 3691.205       143.3037 3660.747       201.5293 3722.358       203.8142 272.9840 7.549394 275.2703 7.571491 -2.286316      10.69209 
1 1 1 -4  2  9  o 203.0377 4.140688 2019.490       82.29156 2085.548       118.5728 1958.106       114.3005 206.1488 5.882235 199.7484 5.852304 6.400330       8.297599 
1 1 1 -4  2  10 o 62.75410 2.673582 193.1560       16.38497 187.8432       22.93752 198.6916       23.41349 61.81229 3.809611 63.58092 3.779175 -1.768631      5.366125 
1 1 1 -4  2  11 o 73.34456 2.685420 263.7119       19.24654 262.6751       27.21976 264.7484       27.21766 73.13830 3.815378 73.42815 3.799810 -0.2898483     5.384762 
1 1 1 -4  2  12 o 571.1144 10.64861 16024.91       595.2811 15838.90       835.3594 16216.82       848.5038 566.5010 15.07831 573.2057 15.13622 -6.704712      21.36494 
1 1 1 -4  2  13 o 343.8049 6.557835 5791.724       220.6880 5788.682       311.9844 5794.771       312.2157 343.3880 9.290538 343.5684 9.292535 -0.1804504     13.14022 
1 1 1 -4  2  14 o 187.0377 3.935757 1712.745       72.05491 1683.175       100.9253 1743.487       102.9056 185.2987 5.570766 188.5917 5.580694 -3.293060      7.885277 
1 1 1 -4  2  15 f 326.5556 7.231815 5225.250       231.1589 5152.515       280.5587 5379.000       407.9026 324.0586 8.853217 330.6847 12.62509 -6.626129      15.41987 
1 1 1 -4  2  16 o 408.4470 8.906651 8180.059       356.0872 8000.202       429.4141 8576.000       637.1290 403.6018 10.87961 417.1212 15.63248 -13.51944      19.04575 
1 1 1 -4  2  17 o 324.1300 6.229156 5146.709       197.6308 5133.392       279.1197 5160.098       279.8661 323.4352 8.824759 324.2760 8.825377 -0.8407898     12.48053 
1 1 1 -4  2  18 o 259.5510 5.136139 3299.302       130.4865 3224.376       182.0004 3378.554       187.1803 256.3962 7.259252 262.4567 7.293189 -6.060547      10.29016 
1 1 1 -4  2  19 o 198.2226 4.809617 1924.283       93.31898 1798.000       154.6026 1996.665       117.0462 191.3066 8.275786 201.7947 5.932162 -10.48813      10.18230 
1 1 1 -4  2  20 o 208.2921 6.147598 2127.794       125.2013 0.000000       0.000000 2127.794       125.2013 ?        ?        208.2921 6.147598 ?              ?        
1 1 1 -4  2  21 o 125.1098 3.803659 767.1848       46.52588 774.7000       80.85791 763.4651       56.88663 125.5365 6.603531 124.7593 4.666564 0.7772446      8.086003 
1 1 1 -4  2  22 o 308.3828 5.972102 4661.679       180.2701 4516.094       249.5365 4820.596       260.7113 303.1777 8.416878 313.2260 8.511351 -10.04828      11.97025 
1 1 1 -4  2  23 f 136.1971 3.901995 909.2976       51.96521 909.6446       63.58818 908.6000       90.16526 136.1687 4.778222 135.9239 6.798576 0.2448425      8.309756 
1 1 1 -4  2  24 o 324.2982 8.883456 5175.072       281.7237 4998.000       389.1870 5370.000       408.3376 317.8461 12.53393 329.4367 12.68684 -11.59064      17.83411 
1 1 1 -4  2  25 o 163.4493 3.682486 1308.691       58.91562 1287.597       82.78545 1330.338       83.86354 161.9681 5.228628 164.6387 5.210534 -2.670609      7.381613 
1 1 1 -4  2  26 o 127.1399 3.274000 792.2597       40.71039 799.8781       57.99339 784.8582       57.16197 127.6570 4.648937 126.4530 4.625988 1.204010       6.558383 
1 1 1 -4  2  27 o 324.3680 6.263900 5165.895       198.8791 5215.565       283.1793 5117.550       279.3743 325.2736 8.902562 322.2098 8.866546 3.063782       12.56468 
1 1 1 -4  2  28 o 138.1445 3.912982 936.0176       52.85789 961.9000       91.83103 923.1935       64.63965 139.7501 6.733032 137.1167 4.823691 2.633423       8.282616 
1 1 1 -4  2  29 o 252.5289 5.843114 3131.226       144.4314 3176.703       178.5009 3045.000       245.7896 254.0444 7.185567 248.0144 10.14608 6.030014       12.43283 
1 1 1 -4  2  30 o 196.3448 4.182683 1890.132       80.38600 1912.518       114.4569 1868.341       112.9246 197.2372 5.935281 194.9453 5.924800 2.291824       8.386347 
1 1 1 -4  2  31 o 244.4471 4.945534 2932.404       118.3326 3038.066       170.9689 2835.242       163.9469 248.3694 7.039652 239.9398 6.988077 8.429565       9.919169 
1 1 1 -4  2  32 o 300.2875 5.887750 4432.204       173.0585 4420.183       244.4731 4444.279       245.0111 299.1153 8.358189 299.9316 8.353732 -0.8162842     11.81711 
1 1 1 -4  2  33 o 304.7589 5.969120 4567.605       178.0627 4491.559       249.1068 4647.056       254.6211 301.3667 8.453047 306.5272 8.494504 -5.160553      11.98376 
1 1 1 -4  2  34 o 323.1003 6.293456 5140.900       199.0365 5240.179       285.0783 5046.480       278.0150 325.0544 8.968443 319.0121 8.912112 6.042358       12.64352 
1 1 1 -4  2  35 o 113.7095 3.961975 635.3771       44.03020 610.0848       52.87284 692.6000       79.52866 111.3050 4.864765 118.2529 6.900759 -6.947891      8.443129 
1 1 1 -4  2  36 o 177.7964 4.640326 1555.421       80.68753 1539.844       98.09864 1588.000       141.8695 176.6683 5.680190 178.6692 8.133430 -2.000854      9.920547 
1 1 1 -4  2  37 f 155.8454 3.736651 1192.979       57.00103 1187.941       80.46465 1198.053       80.75944 155.1434 5.306466 155.8038 5.303253 -0.6604614     7.502205 
1 1 1 -4  2  38 o 42.84256 6.203224 92.71974       25.25743 114.0000       42.40208 81.01672       31.44472 46.79803 9.579515 39.53988 8.385032 7.258156       12.73090 
1 1 1 -4  2  39 o 95.95477 3.941527 453.9513       36.94127 393.0000       60.32389 490.5239       46.72786 88.54733 7.017315 99.57647 4.808376 -11.02914      8.506656 
1 1 1 -4  2  40 o 55.84267 5.276792 155.7523       28.50106 64.18000       49.80383 200.3447       34.75452 35.85780 12.03263 63.30590 5.668615 -27.44810      13.30103 
1 1 1 -4  2  41 o 80.94458 4.312582 324.5637       34.04560 382.3000       61.84240 299.4558       40.78193 86.92577 7.336714 77.47102 5.412057 9.454750       9.116893 
1 1 1 -4  2  42 o 32.43027 7.291834 54.99130       22.58326 60.98690       31.58951 48.72399       32.29737 33.92477 9.257173 30.76069 9.643244 3.164080       13.36740 
1 1 1 -4  2  43 o 52.02351 5.643820 136.5723       28.27961 137.2608       34.65556 135.2000       48.92457 51.73960 7.024193 50.13139 10.31464 1.608215       12.47923 
1 1 1 -4  2  44 o 55.27833 4.737368 152.8969       25.38602 151.8659       36.02182 153.9143       35.78191 54.43097 6.917048 54.83817 6.812584 -0.4072075     9.708597 
1 1 1 -4  2  45 o 59.43129 4.512164 176.4429       26.05245 179.8206       36.62476 172.9832       37.06668 59.40543 6.399408 58.17041 6.628016 1.235016       9.213198 
1 1 1 -4  2  46 o 22.14473 8.109591 21.27370       22.95870 39.31198       31.91147 1.918590       33.05575 28.08205 9.629460 20.95433 8.990848 7.127724       13.17429 
1 1 1 -4  2  47 o 86.04211 3.709969 367.6521       31.17208 330.8089       42.97184 408.5726       45.28720 80.92478 5.456861 90.11623 5.155637 -9.191452      7.507191 
1 1 1 -4  2  48 o 40.68111 6.223544 86.02947       23.99538 81.82074       34.04105 90.18597       33.82913 38.49459 9.166457 40.62357 8.765189 -2.128983      12.68276 
1 1 1 -4  2  49 o 59.46450 4.513242 178.2832       26.07337 169.6507       36.41663 187.3627       37.34761 57.04129 6.646742 60.07848 6.451909 -3.037186      9.263169 
1 1 1 -4  2  50 f 37.40840 6.504410 73.98794       22.95259 93.19904       32.47415 54.81059       32.44561 41.21957 8.335551 31.30052 9.641877 9.919058       12.74548 
1 1 1 -4  2  51 o 36.63877 7.906358 73.62481       27.52164 73.70181       33.33640 73.46000       48.77176 36.00828 9.369707 35.29140 11.90765 0.7168808      15.15201 
1 1 1 -4  2  52 o 28.87158 8.054534 46.09727       23.62021 39.87661       33.50450 52.24387       33.30445 27.56131 9.836495 30.45615 9.821261 -2.894836      13.90014 
1 1 1 -4  2  53 o 59.21920 5.216275 180.0806       29.92761 181.4000       49.38554 179.3148       37.62279 56.81445 9.194377 58.21399 6.726206 -1.399548      11.39203 
1 1 1 -4  2  54 o 52.17263 5.086327 140.0102       25.64542 131.6722       36.40230 148.2264       36.13538 49.01496 7.852425 52.46356 7.228621 -3.448601      10.67303 
1 1 1 -4  2  55 o 60.97116 6.471168 197.2958       38.03105 277.5000       58.76648 139.5000       49.88607 70.31894 8.724962 47.85966 10.89428 22.45928       13.95745 
1 1 1 -4  2  56 o 41.91409 6.184430 93.63108       24.61134 127.9797       37.41191 67.42538       32.67783 47.69639 8.315592 33.74408 9.495514 13.95231       12.62196 
1 1 1 -4  2  57 o 51.96415 5.866681 142.1754       29.31916 121.8609       36.46905 179.3000       49.30061 46.48216 8.321087 55.64738 9.384586 -9.165218      12.54237 
1 1 1 -4  2  58 o 56.64373 5.420890 167.2492       29.68954 180.8000       51.92722 160.6680       36.18795 55.23699 9.970969 54.48063 6.943601 0.7563629      12.15047 
1 1 1 -4  2  59 o 63.52110 4.374547 205.7713       27.03318 197.0096       38.05050 214.7009       38.41347 60.70571 6.504918 63.59385 6.251827 -2.888138      9.022157 
1 1 1 -4  2  60 o 34.47949 8.263082 68.47551       27.52319 74.93938       33.56554 55.21000       48.08492 35.32257 9.501850 30.46565 11.61676 4.856922       15.00781 
1 1 1 -4  2  61 o 34.72162 6.699922 66.26167       21.94574 73.69778       24.65903 37.94000       48.12407 36.38646 7.178654 27.56763 11.26194 8.818830       13.35531 
1 1 1 -4  2  62 o 55.84567 5.129340 162.9028       27.72573 162.9028       27.72573 0.000000       0.000000 55.84567 5.129340 ?        ?        ?              ?        
1 1 1 -4  2  63 o 33.25759 7.872611 64.16866       25.22787 87.32874       29.92529 7.274000       46.90337 38.75433 8.147808 23.00712 10.26124 15.74721       13.10266 
1 1 1 -4  3  1  o 747.6238 13.87195 27515.33       1015.142 27826.98       1447.305 27213.54       1424.229 749.3622 19.74880 741.0962 19.65089 8.265991       27.85988 
1 1 1 -4  3  2  o 166.0925 3.514887 1350.651       57.14362 1390.843       82.12558 1312.928       79.56194 168.4394 4.986629 163.6500 4.972644 4.789398       7.042276 
1 1 1 -4  3  3  o 316.3972 7.001130 4907.140       216.8238 5350.000       397.7487 4719.896       258.6307 329.5886 12.35092 310.0670 8.529647 19.52158       15.01000 
1 1 1 -4  3  4  o 185.6343 4.437423 1687.671       80.62975 1804.235       102.5558 1499.000       130.4757 191.8266 5.467495 174.6672 7.650095 17.15942       9.403055 
1 1 1 -4  3  5  o 445.5121 8.362023 9739.685       364.6508 10232.74       533.9872 9308.845       499.1607 455.8617 11.97755 434.8337 11.73839 21.02805       16.77055 
1 1 1 -4  3  6  o 360.7342 6.843147 6381.485       241.6292 6434.874       343.6699 6329.293       339.7936 361.7436 9.714662 358.7668 9.684878 2.976868       13.71756 
1 1 1 -4  3  7  o 185.0756 3.840096 1677.636       69.56607 1688.462       98.55792 1666.888       98.20558 185.5235 5.433185 184.3322 5.448860 1.191269       7.694776 
1 1 1 -4  3  8  o 33.54255 3.320249 55.63565       10.75829 57.68914       14.93499 53.42088       15.51035 34.00499 4.605258 32.63981 5.014946 1.365185       6.808677 
1 1 1 -4  3  9  o 211.4004 4.278677 2189.354       88.53630 2189.463       125.1046 2189.244       125.3141 211.2148 6.057474 211.2032 6.067973 0.1161194E-01  8.573989 
1 1 1 -4  3  10 o 58.64466 2.724482 168.7423       15.59660 193.0202       22.49385 146.2633       21.64452 62.67208 3.683003 54.49283 4.087702 8.179256       5.502165 
1 1 1 -4  3  11 o 153.0294 3.391977 1146.631       50.80822 1137.849       71.37046 1155.655       72.34685 152.3326 4.792478 153.5194 4.820463 -1.186783      6.797404 
1 1 1 -4  3  12 o 92.78352 2.780789 421.8057       25.22637 415.4759       35.58868 428.1975       35.76291 92.02958 3.960005 93.43266 3.919164 -1.403076      5.571488 
1 1 1 -4  3  13 o 413.2234 7.788106 8369.884       315.0091 8294.707       442.5583 8447.087       448.4809 410.8993 11.01338 414.6525 11.05965 -3.753143      15.60802 
1 1 1 -4  3  14 o 228.5218 5.298843 2557.480       118.5263 2587.196       146.4227 2501.000       201.8683 229.7153 6.518562 225.6548 9.158425 4.060501       11.24137 
1 1 1 -4  3  15 o 215.0194 5.058115 2264.052       106.4566 2226.567       129.2820 2343.000       187.6230 213.1105 6.204255 218.4308 8.793350 -5.320343      10.76177 
1 1 1 -4  3  16 o 515.4686 9.631371 13032.83       485.9557 12608.50       671.3303 13499.93       704.3482 506.2813 13.55905 523.8482 13.74837 -17.56689      19.30973 
1 1 1 -4  3  17 o 335.2914 6.423713 5507.675       210.8214 5321.211       291.3002 5712.760       305.4994 329.2768 9.046595 341.1737 9.156328 -11.89691      12.87164 
1 1 1 -4  3  18 o 154.4540 5.020512 1169.566       75.80117 1188.000       107.0091 1151.000       107.3900 155.5388 7.047021 153.0819 7.187000 2.456818       10.06546 
1 1 1 -4  3  19 o 783.7635 16.83431 30313.05       1291.477 29560.00       2195.871 30711.28       1596.861 767.0831 29.29930 786.9564 20.74862 -19.87329      35.90201 
1 1 1 -4  3  20 o 257.7550 5.115736 3254.406       129.0689 3170.786       179.5169 3343.886       185.7021 254.2094 7.221840 261.0568 7.274432 -6.847397      10.25048 
1 1 1 -4  3  21 o 197.1841 5.886335 1907.212       113.4846 1877.000       159.7387 1938.000       161.2549 195.3887 8.371670 198.5499 8.315711 -3.161194      11.79983 
1 1 1 -4  3  22 o 262.4341 7.381744 3381.693       189.4323 3480.000       272.6862 3290.000       263.3528 265.7849 10.50225 258.4273 10.43247 7.357605       14.80316 
1 1 1 -4  3  23 o 424.5235 9.271595 8860.294       385.2675 8676.000       657.8714 8956.491       475.2983 417.8834 16.11366 426.1788 11.40404 -8.295471      19.74088 
1 1 1 -4  3  24 o 348.4702 6.673651 5959.170       227.6330 5921.410       320.5442 5997.586       323.3171 346.7654 9.452600 348.9856 9.473639 -2.220184      13.38288 
1 1 1 -4  3  25 o 119.2843 3.730975 697.7133       43.50883 709.7551       53.57991 674.4000       74.55161 120.2538 4.560208 117.0368 6.533651 3.217010       7.967690 
1 1 1 -4  3  26 o 253.3242 5.838720 3148.681       144.7773 3128.522       176.5970 3190.000       252.8313 252.2512 7.159510 254.1268 10.18485 -1.875534      12.44949 
1 1 1 -4  3  27 f 280.3289 5.506263 3855.717       151.0884 3877.459       214.6290 3834.359       212.7262 280.6525 7.820543 279.0925 7.794569 1.559998       11.04157 
1 1 1 -4  3  28 o 248.9826 4.991102 3040.829       121.6387 3044.049       172.1710 3037.620       171.8755 248.7325 7.078860 248.4704 7.074169 0.2621613      10.00770 
1 1 1 -4  3  29 o 217.6624 5.183741 2324.723       110.4417 2516.000       199.8159 2240.585       132.5244 225.6611 9.064667 213.4555 6.349875 12.20561       11.06748 
1 1 1 -4  3  30 o 251.0745 5.826889 3096.012       143.2008 3067.953       174.4396 3154.000       250.7702 249.6136 7.146903 252.3145 10.17464 -2.700821      12.43389 
1 1 1 -4  3  31 o 174.2119 3.899461 1487.904       66.49494 1510.706       94.91781 1465.928       93.18230 175.3029 5.538572 172.6853 5.519886 2.617599       7.819522 
1 1 1 -4  3  32 o 160.3451 3.759128 1260.548       58.99959 1359.822       86.58838 1174.514       80.60826 166.3064 5.326044 154.5462 5.336631 11.76024       7.539653 
1 1 1 -4  3  33 o 81.47007 3.497344 325.9912       27.82467 335.7191       39.32664 316.2402       39.37346 82.54237 4.889380 80.08498 5.048496 2.457390       7.028040 
1 1 1 -4  3  34 o 54.15271 5.142262 145.4071       26.93049 158.5128       32.44884 116.4000       48.27486 56.44218 5.963458 47.43153 10.65841 9.010651       12.21329 
1 1 1 -4  3  35 o 219.3668 5.302266 2367.463       113.8515 2288.606       136.4694 2548.000       206.4899 215.3105 6.482744 226.1572 9.348014 -10.84679      11.37591 
1 1 1 -4  3  36 o 125.9894 3.483699 779.5553       42.92041 816.9777       61.49055 744.0006       59.93654 128.7676 4.887475 122.8549 4.994586 5.912727       6.988083 
1 1 1 -4  3  37 o 201.4722 4.968977 1999.598       97.99147 1827.000       160.0847 2103.021       123.9202 191.1728 8.576791 206.1725 6.147383 -14.99969      10.55233 
1 1 1 -4  3  38 o 80.07830 4.058249 316.2853       31.70600 334.9000       53.15464 306.0044       39.50296 81.87719 6.690710 78.57316 5.164926 3.304031       8.452341 
1 1 1 -4  3  39 o 50.49590 4.711238 126.8970       23.01740 128.5924       32.22452 125.1311       32.88868 50.41817 6.695021 49.66011 6.956560 0.7580566      9.654897 
1 1 1 -4  3  40 f 57.77035 4.455907 165.6958       25.00232 155.1374       35.23562 176.4028       35.48293 55.40474 6.628628 59.23450 6.212126 -3.829762      9.084559 
1 1 1 -4  3  41 o 52.17300 5.565610 136.7910       27.98431 154.2000       51.44577 129.4753       33.34988 53.97745 10.10853 50.37649 6.948163 3.600964       12.26618 
1 1 1 -4  3  42 o 72.69145 4.536721 262.6172       32.11893 241.0000       56.89379 272.7296       38.91296 68.23467 8.717111 73.84562 5.421267 -5.610947      10.26539 
1 1 1 -4  3  43 o 33.90686 7.077968 60.05132       22.73108 59.27591       32.24189 60.81763       32.05216 33.38043 9.445448 33.78386 9.366918 -0.4034233     13.30247 
1 1 1 -4  3  44 o 54.05077 5.572478 147.4655       29.05990 130.5382       35.29342 183.1000       51.20774 50.23583 7.398854 58.90821 9.179914 -8.672382      11.79041 
1 1 1 -4  3  45 o 52.49679 4.951336 138.5118       25.14207 166.8613       35.77818 110.8549       35.33841 57.15173 6.511634 45.86099 8.171905 11.29073       10.44899 
1 1 1 -4  3  46 o 26.81264 8.245435 37.46690       23.74018 25.43999       32.91580 50.50580       34.27267 25.14259 9.605396 30.96804 9.960872 -5.825453      13.83772 
1 1 1 -4  3  47 o 65.18913 4.242257 212.3843       26.92235 224.9841       38.39812 200.2012       37.75786 66.44585 5.967345 62.53018 6.252724 3.915665       8.643250 
1 1 1 -4  3  48 o 63.07629 4.342612 199.5961       26.64802 230.4883       38.21447 170.3557       37.17884 67.14785 5.873258 57.25210 6.764855 9.895752       8.958707 
1 1 1 -4  3  49 o 33.10646 7.450700 59.26174       23.55957 94.12830       33.46772 25.01112       33.17078 41.42765 8.537394 24.64856 9.582602 16.77908       12.83407 
1 1 1 -4  3  50 o 25.97519 8.764828 35.32855       26.42427 49.56335       32.08828 5.338000       46.57607 29.96212 9.638298 24.16910 10.52084 5.793020       14.26832 
1 1 1 -4  3  51 o 49.22807 5.250365 124.3991       24.90928 137.5932       36.13320 112.4502       34.38582 50.63879 7.517655 45.42045 8.027867 5.218338       10.99826 
1 1 1 -4  3  52 o 18.58774 7.995742 2.551486       26.26912 -38.50000      43.71221 25.75822       32.86589 18.83383 8.916665 24.48050 9.532478 -5.646669      13.05278 
1 1 1 -4  3  53 o 46.86503 5.616496 114.1441       25.25185 103.3744       35.22369 125.5317       36.22017 42.92119 8.682697 47.83021 8.020089 -4.909019      11.81994 
1 1 1 -4  3  54 o 63.70756 4.400233 205.9062       27.27072 241.2849       39.46232 173.5667       37.72927 67.99769 5.990189 57.02255 6.899831 10.97514       9.137287 
1 1 1 -4  3  55 o 42.40666 7.101998 97.87751       28.43808 72.46000       52.50566 108.4291       33.82973 34.07486 12.29517 44.01445 8.152460 -9.939587      14.75242 
1 1 1 -4  3  56 o 72.26529 4.706692 267.1549       33.11176 314.3000       61.63140 248.0252       39.25893 74.87594 8.562994 68.78926 5.887120 6.086678       10.39149 
1 1 1 -4  3  57 o 22.87704 8.626126 25.14966       26.33659 11.67000       46.67356 31.44658       31.90036 24.15100 10.52213 25.01913 9.480216 -0.8681297     14.16297 
1 1 1 -4  3  58 o 31.34868 8.591324 56.96294       27.14070 81.68435       33.78257 11.96000       45.58024 37.16896 9.307189 23.93542 10.41358 13.23354       13.96661 
1 1 1 -4  3  59 o 63.81776 6.433233 217.1942       39.63831 260.5000       55.11624 170.8000       57.04773 68.00890 8.462082 52.07903 11.49884 15.92987       14.27691 
1 1 1 -4  3  60 o 27.33182 7.663551 42.33499       21.32525 42.68693       24.06907 41.05000       45.99123 27.29814 8.284534 27.99006 11.15900 -0.6919155     13.89809 
1 1 1 -4  3  61 o 22.66886 8.297165 26.36626       24.02819 26.36626       24.02819 0.000000       0.000000 22.66886 8.297165 ?        ?        ?              ?        
1 1 1 -4  3  62 o 27.72551 8.306905 44.90442       24.31129 45.51211       28.49813 43.28000       46.59354 27.72822 9.095404 27.96064 11.20334 -0.2324276     14.43057 
1 1 1 -4  3  63 f 34.81757 6.770830 67.54538       22.24415 62.80044       24.85346 86.65000       49.87014 32.89456 7.831994 35.26089 12.03931 -2.366337      14.36263 
1 1 1 -4  4  1  o 439.9081 9.566493 9500.465       411.9277 8771.000       671.8570 9939.853       521.4332 421.1312 16.32966 449.4384 11.86321 -28.30722      20.18399 
1 1 1 -4  4  2  o 308.6099 8.397784 4676.053       253.4410 4871.000       368.4627 4501.000       349.1557 314.4681 11.99243 302.2987 11.82265 12.16943       16.84023 
1 1 1 -4  4  3  o 974.4450 18.15271 47032.00       1731.430 46279.40       2422.098 47818.48       2476.017 960.4947 25.78597 976.2079 25.93522 -15.71320      36.57256 
1 1 1 -4  4  4  o 336.4070 6.414618 5547.670       211.2234 5688.104       304.3495 5417.175       293.3822 340.2319 9.147146 332.0406 9.035250 8.191254       12.85714 
1 1 1 -4  4  5  o 114.1879 2.802013 638.3594       31.31819 622.8723       43.85352 654.4797       44.74102 112.7045 3.981436 115.5332 3.962197 -2.828705      5.617013 
1 1 1 -4  4  6  o 324.2564 6.199893 5155.705       196.7791 5184.686       279.2919 5127.136       277.2943 324.7335 8.794783 322.9272 8.780782 1.806274       12.42780 
1 1 1 -4  4  7  o 209.6802 4.239201 2153.821       87.00568 2208.303       124.8214 2102.335       121.3416 212.1271 6.017633 206.9728 5.995815 5.154251       8.494805 
1 1 1 -4  4  8  o 163.1270 3.509281 1303.230       56.03381 1317.958       79.60867 1288.769       78.88384 163.9157 4.967467 162.0880 4.977899 1.827774       7.032440 
1 1 1 -4  4  9  o 299.2243 5.771364 4389.459       169.0369 4311.357       236.0700 4471.639       242.1547 296.1886 8.150408 301.6390 8.209244 -5.450439      11.56810 
1 1 1 -4  4  10 o 373.4567 7.077373 6840.832       258.7131 6688.052       360.1131 7003.797       371.9240 368.7295 9.986765 377.3216 10.07919 -8.592041      14.18892 
1 1 1 -4  4  11 o 207.2873 4.224307 2104.226       85.71056 2103.145       121.0486 2105.313       121.3782 207.0834 5.978096 207.1892 5.991335 -0.1058350     8.463671 
1 1 1 -4  4  12 o 514.0479 9.601661 12966.10       483.1213 13214.11       691.9756 12730.24       674.8206 518.0780 13.65741 508.5169 13.56954 9.561096       19.25246 
1 1 1 -4  4  13 o 227.1066 5.259215 2525.957       116.9114 2533.069       143.6423 2512.000       201.2257 227.2957 6.462879 226.1449 9.109199 1.150833       11.16899 
1 1 1 -4  4  14 o 148.4388 3.903954 1079.498       56.67364 1120.398       71.05795 1008.000       93.95070 151.1870 4.807779 143.2826 6.717552 7.904388       8.260766 
1 1 1 -4  4  15 o 241.7532 4.819027 2861.904       114.0349 2755.317       157.5226 2979.272       165.2977 237.0485 6.795916 246.4975 6.857570 -9.449051      9.654571 
1 1 1 -4  4  16 o 318.5906 7.073075 4973.583       220.5705 4704.000       367.3927 5125.513       275.8082 309.2332 12.16146 323.2008 8.726219 -13.96762      14.96824 
1 1 1 -4  4  17 f 225.5083 5.267297 2490.629       116.2670 2303.000       191.3052 2600.526       146.4093 216.5106 9.046893 230.2957 6.501469 -13.78510      11.14071 
1 1 1 -4  4  18 o 192.4165 4.070258 1812.837       76.66029 1829.958       109.1240 1796.154       107.7178 193.1923 5.777133 191.3992 5.756184 1.793015       8.155300 
1 1 1 -4  4  19 o 77.14036 4.641222 292.4750       34.88244 295.2000       46.89593 289.1000       52.19011 77.36754 6.245601 76.47695 7.051247 0.8905869      9.419534 
1 1 1 -4  4  20 o 261.2387 5.174154 3343.195       132.3071 3265.881       184.0354 3425.902       190.3449 257.9774 7.295413 264.2201 7.367047 -6.242676      10.36805 
1 1 1 -4  4  21 o 286.2994 6.481110 4018.535       181.6252 4346.000       330.3084 3876.615       217.4493 296.9875 11.38361 280.9688 7.914555 16.01874       13.86459 
1 1 1 -4  4  22 o 199.1636 4.847862 1943.477       94.50752 1838.000       159.2047 2000.870       117.4380 193.2838 8.435315 201.9391 5.947790 -8.655289      10.32137 
1 1 1 -4  4  23 o 284.0905 6.426209 3958.905       178.6973 3933.000       308.5805 3971.975       219.1904 282.2935 11.18981 284.2883 7.884531 -1.994812      13.68860 
1 1 1 -4  4  24 o 270.4946 5.332924 3587.325       141.1985 3605.592       200.3942 3569.314       198.9830 270.8328 7.566650 269.4681 7.551458 1.364655       10.69012 
1 1 1 -4  4  25 o 278.6115 5.473925 3806.960       149.2809 3783.092       210.5673 3831.078       211.6670 277.3379 7.764312 279.0942 7.755636 -1.756256      10.97426 
1 1 1 -4  4  26 o 246.0663 5.701621 2970.703       137.3272 2955.921       167.5099 3001.000       239.8196 245.2026 6.986378 246.4951 9.960138 -1.292496      12.16609 
1 1 1 -4  4  27 o 441.0402 9.649292 9595.030       416.5622 9506.248       506.7664 9780.000       731.4695 437.9790 11.83168 441.3729 16.96264 -3.393890      20.68139 
1 1 1 -4  4  28 o 225.3495 4.612138 2490.208       101.7338 2459.479       142.8995 2521.790       144.8673 223.6414 6.534889 226.4578 6.542330 -2.816376      9.246992 
1 1 1 -4  4  29 f 113.9794 3.270435 637.0038       36.44926 642.9047       51.70558 631.1747       51.38995 114.3999 4.627033 113.3484 4.641692 1.051498       6.553987 
1 1 1 -4  4  30 o 260.5183 5.207123 3331.073       132.7829 3332.378       188.2224 3329.780       187.3475 260.0906 7.400862 259.9964 7.369070 0.9423828E-01  10.44394 
1 1 1 -4  4  31 o 171.7083 4.490761 1447.308       75.41270 1467.962       93.14149 1408.000       128.4927 172.7993 5.513803 168.8487 7.795575 3.950653       9.548456 
1 1 1 -4  4  32 o 214.3964 4.487013 2255.419       94.16318 2290.235       134.5431 2221.992       131.8320 215.6695 6.380345 212.4359 6.347083 3.233597       8.999681 
1 1 1 -4  4  33 o 144.4936 4.161644 1025.203       58.79862 1060.932       72.92142 958.8000       99.41134 146.8744 5.079924 139.2446 7.319462 7.629761       8.909554 
1 1 1 -4  4  34 o 170.3914 4.497098 1426.620       74.93877 1445.811       92.08992 1389.000       128.9367 171.3661 5.497221 167.4340 7.889505 3.932129       9.615807 
1 1 1 -4  4  35 o 164.1404 3.806922 1322.240       61.16399 1282.079       85.19288 1364.963       87.86697 161.3134 5.403061 166.4523 5.400138 -5.138840      7.639016 
1 1 1 -4  4  36 o 41.22358 6.090509 85.63547       23.83669 68.77000       37.77874 96.79058       30.72454 36.51441 10.18633 43.60352 7.467174 -7.089111      12.63013 
1 1 1 -4  4  37 o 114.2197 3.390718 641.0678       37.86675 621.8997       53.06723 660.9522       54.04963 112.2631 4.840663 115.7520 4.780727 -3.488846      6.803483 
1 1 1 -4  4  38 o 167.4265 3.871562 1378.667       63.44780 1329.417       88.19704 1431.493       91.34312 163.9092 5.505049 170.0960 5.493454 -6.186813      7.777120 
1 1 1 -4  4  39 o 171.5243 3.927817 1448.474       65.94519 1387.786       91.30144 1514.665       95.35150 167.2976 5.583296 174.7869 5.580451 -7.489349      7.893961 
1 1 1 -4  4  40 o 121.0046 3.474751 721.0518       41.11324 715.1270       58.03915 727.0192       58.24722 120.1267 4.946584 121.1302 4.922915 -1.003479      6.978809 
1 1 1 -4  4  41 o 40.53889 5.850334 83.45309       22.54359 39.22661       31.76314 128.3447       32.00109 28.40373 9.609496 50.21951 6.675237 -21.81578      11.70048 
1 1 1 -4  4  42 o 41.32459 6.849245 87.92622       26.73536 102.7000       49.13761 81.71345       31.86477 43.40836 11.41499 39.34502 8.521074 4.063343       14.24467 
1 1 1 -4  4  43 o 64.74841 4.927400 209.5182       30.99413 155.3000       54.43754 235.5236       37.70145 53.58601 10.75288 68.44615 5.678398 -14.86014      12.16012 
1 1 1 -4  4  44 o 48.23785 5.290261 117.3896       24.56946 95.20315       34.84362 139.3302       34.65010 42.32169 8.701953 52.07182 6.973363 -9.750137      11.15131 
1 1 1 -4  4  45 o 44.64285 6.818684 103.0447       28.85247 116.4911       35.30818 76.02000       50.05554 47.11075 7.938761 37.35587 12.03992 9.754883       14.42163 
1 1 1 -4  4  46 f 85.62736 4.392025 365.5504       36.68851 362.0680       44.84386 372.6000       63.80382 84.80855 5.430568 84.83222 7.770069 -0.2367401E-01 9.479717 
1 1 1 -4  4  47 o 28.27161 7.955275 42.76416       22.93692 37.89544       33.06680 47.27924       31.84321 27.68901 9.783045 29.82815 9.602000 -2.139141      13.70789 
1 1 1 -4  4  48 f 83.30006 4.465498 348.0591       36.27699 345.5719       44.05180 353.3000       63.94616 82.49456 5.486652 81.71959 8.100838 0.7749710      9.784014 
1 1 1 -4  4  49 o 39.97017 7.420359 85.62639       27.96280 85.57590       34.10182 85.73000       48.85247 39.20626 9.066989 38.15228 11.84461 1.053978       14.91660 
1 1 1 -4  4  50 o 84.25294 3.736524 354.5273       30.73813 352.4463       45.06211 356.3382       42.03604 82.99322 5.579477 83.71743 5.154788 -0.7242126     7.596210 
1 1 1 -4  4  51 o 30.41220 8.527463 51.49870       26.40391 88.52000       48.08697 35.51915       31.59249 38.33663 11.72496 26.45056 9.538157 11.88607       15.11460 
1 1 1 -4  4  52 o 31.78658 7.833682 55.86328       24.21408 48.71124       34.09225 63.14399       34.39756 29.59128 9.955570 33.10104 9.872348 -3.509762      14.02058 
1 1 1 -4  4  53 o 58.17347 4.753087 172.5677       26.82921 149.2558       37.41011 197.2549       38.49772 52.55608 7.483274 61.17375 6.530163 -8.617668      9.931889 
1 1 1 -4  4  54 o 51.04089 6.082003 136.9507       29.78877 142.7000       54.61297 134.5158       35.54145 47.94667 11.73379 49.69975 7.542500 -1.753078      13.94888 
1 1 1 -4  4  55 o 46.24819 5.535131 111.7583       24.55992 93.77824       35.35402 128.5283       34.14355 40.18668 9.188323 48.49090 7.429915 -8.304226      11.81647 
1 1 1 -4  4  56 o 39.33146 6.379140 83.03909       23.71829 90.10462       34.39764 76.63478       32.74854 39.33626 9.112659 36.13947 9.227002 3.196785       12.96835 
1 1 1 -4  4  57 o 23.50616 8.115955 29.39777       22.68094 25.34889       33.07428 32.99210       31.16242 23.93588 9.488911 25.25257 9.411864 -1.316689      13.36498 
1 1 1 -4  4  58 o 28.63537 9.731854 47.55078       32.58007 9.356000       47.42381 81.69000       44.83541 23.92897 10.51119 35.83053 11.37896 -11.90156      15.49083 
1 1 1 -4  4  59 o 29.07191 8.787338 49.02077       27.11740 19.86246       33.08527 108.7000       47.33311 22.86608 9.339178 41.29820 11.35677 -18.43212      14.70362 
1 1 1 -4  4  60 o 20.12020 8.727020 5.343378       31.81013 5.343378       31.81013 0.000000       0.000000 20.12020 8.727020 ?        ?        ?              ?        
1 1 1 -4  4  61 o 22.78339 7.930998 27.76773       21.67890 23.61064       24.58486 42.30000       45.96633 22.04781 8.329695 28.00391 11.15880 -5.956097      13.92489 
1 1 1 -4  4  62 o 30.92702 7.280669 54.27938       21.67220 55.65272       24.48441 49.31000       46.57492 30.92020 8.022025 28.89624 11.31990 2.023958       13.87419 
1 1 1 -4  4  63 o 21.10989 7.774045 22.73915       21.14551 6.975500       23.61080 86.62000       47.52999 18.03727 7.664676 35.39135 11.75219 -17.35407      14.03073 
1 1 1 -4  5  1  o 622.9056 16.51808 19211.13       1006.247 20280.00       1479.011 18290.00       1372.993 636.1031 23.79600 604.3681 23.25260 31.73499       33.27060 
1 1 1 -4  5  2  o 526.0409 13.96886 13661.79       718.6248 14030.00       1035.738 13320.00       997.8956 530.6921 19.97455 517.1736 19.74882 13.51849       28.08912 
1 1 1 -4  5  3  o 610.2814 11.37465 18331.01       679.4764 18294.71       960.4312 18367.37       961.4189 607.7322 16.15970 608.9456 16.14400 -1.213440      22.84217 
1 1 1 -4  5  4  o 414.1658 7.809562 8419.416       316.5972 8452.529       449.0521 8386.689       446.4316 414.2269 11.08518 412.6145 11.06360 1.612366       15.66156 
1 1 1 -4  5  5  o 187.3837 3.876529 1719.803       71.10188 1630.547       97.22957 1822.401       104.2429 182.3055 5.454830 192.7352 5.531316 -10.42970      7.768567 
1 1 1 -4  5  6  o 157.8700 3.421209 1220.539       52.86709 1216.431       74.71333 1224.659       74.81749 157.4789 4.852752 158.0118 4.843066 -0.5329132     6.855982 
1 1 1 -4  5  7  o 286.0795 5.538199 4012.168       155.0820 4107.800       222.8275 3922.331       215.9715 289.1140 7.881316 282.5164 7.817434 6.597626       11.10078 
1 1 1 -4  5  8  o 228.8368 4.564153 2565.654       102.2333 2640.401       147.1780 2495.962       142.1143 231.9281 6.489490 225.4948 6.445267 6.433319       9.146307 
1 1 1 -4  5  9  o 167.9258 3.590979 1380.907       59.02506 1371.646       83.09341 1390.339       83.85995 167.2360 5.082002 168.3719 5.094232 -1.135864      7.195689 
1 1 1 -4  5  10 o 540.2697 10.08078 14339.31       533.1027 14167.18       747.4307 14517.54       760.5834 535.8271 14.26351 542.3933 14.33862 -6.566162      20.22483 
1 1 1 -4  5  11 o 328.8877 7.260882 5302.227       233.7455 5335.778       287.6475 5237.000       401.0687 329.6741 8.922139 326.1028 12.58852 3.571289       15.42969 
1 1 1 -4  5  12 o 415.3820 9.033562 8461.828       367.2932 8562.134       453.6681 8271.000       625.7429 417.4705 11.11201 409.5401 15.63839 7.930420       19.18426 
1 1 1 -4  5  13 o 234.3978 4.684107 2690.317       107.4698 2759.146       154.4460 2625.706       149.6385 237.2229 6.658000 231.4136 6.612927 5.809235       9.384017 
1 1 1 -4  5  14 o 758.2554 14.05564 28266.68       1043.211 27939.53       1462.490 28605.57       1488.500 751.8982 19.88883 760.7700 20.00629 -8.871826      28.21023 
1 1 1 -4  5  15 o 131.7769 3.679924 850.8097       47.41970 869.6000       81.46046 841.1788       58.31939 133.0880 6.270828 130.9896 4.555450 2.098312       7.750834 
1 1 1 -4  5  16 o 320.7613 7.114530 5041.808       223.3749 4971.000       382.3775 5078.489       275.2181 317.8671 12.31296 321.7044 8.748170 -3.837280      15.10429 
1 1 1 -4  5  17 o 238.1915 4.777899 2778.372       111.3959 2713.684       155.2552 2847.009       159.9238 235.2352 6.749738 240.9465 6.787645 -5.711273      9.572413 
1 1 1 -4  5  18 o 331.1941 6.356528 5374.556       206.0672 5266.724       287.4148 5488.621       295.6037 327.5454 8.973064 334.3718 9.040088 -6.826355      12.73731 
1 1 1 -4  5  19 o 98.22496 4.491656 473.4856       43.07087 455.2000       57.53314 496.8000       64.96446 96.18772 6.142820 100.4620 6.643745 -4.274277      9.048403 
1 1 1 -4  5  20 o 224.2050 5.296441 2462.780       116.2347 2591.000       207.4974 2404.147       140.3165 229.5343 9.254443 221.3675 6.482713 8.166794       11.29913 
1 1 1 -4  5  21 o 210.9561 4.361115 2179.814       90.05252 2089.917       124.1535 2279.615       130.8144 206.3847 6.152623 215.5512 6.206566 -9.166458      8.739350 
1 1 1 -4  5  22 o 513.0499 9.624860 12942.05       483.3483 12165.81       653.8998 13877.04       717.6555 496.1507 13.47702 529.7769 13.85127 -33.62619      19.32583 
1 1 1 -4  5  23 o 243.9437 5.654658 2917.809       135.0212 2846.000       230.8152 2955.165       166.4769 240.2774 9.834768 245.2885 6.940768 -5.011078      12.03731 
1 1 1 -4  5  24 o 176.0656 4.462037 1520.089       76.83585 1429.000       129.4725 1569.611       95.46384 170.3613 7.784841 178.8270 5.460200 -8.465759      9.508813 
1 1 1 -4  5  25 o 200.4449 4.863727 1969.709       95.42681 1940.000       164.3423 1984.820       117.2108 198.4068 8.481833 201.0391 5.962949 -2.632278      10.36814 
1 1 1 -4  5  26 o 212.7023 4.395420 2217.612       91.51215 2145.779       126.9040 2295.432       132.0870 208.9784 6.210831 216.1439 6.249815 -7.165497      8.811050 
1 1 1 -4  5  27 o 185.2770 4.619590 1683.146       83.77824 1670.677       101.9980 1709.000       146.8780 184.4186 5.657108 186.1692 8.079378 -1.750610      9.863023 
1 1 1 -4  5  28 o 263.1608 6.047427 3401.002       155.7751 3419.341       191.3791 3365.000       268.1527 263.5377 7.426408 260.6537 10.53191 2.883911       12.88692 
1 1 1 -4  5  29 o 129.9547 3.382953 828.0398       42.99569 842.3273       61.48974 814.3714       60.14280 130.9516 4.805326 128.7597 4.780267 2.191879       6.778061 
1 1 1 -4  5  30 o 215.4276 4.491687 2276.243       94.71462 2278.300       134.6956 2274.231       133.2101 215.1913 6.401855 215.0103 6.336445 0.1809540      9.007457 
1 1 1 -4  5  31 o 218.8143 4.553375 2349.057       97.52487 2280.003       135.7991 2422.603       140.1455 215.2130 6.453765 221.8454 6.460788 -6.632401      9.131969 
1 1 1 -4  5  32 o 170.6302 5.426019 1431.795       90.50884 1383.000       124.2272 1487.000       132.1363 167.3051 7.605687 173.4515 7.802813 -6.146423      10.89635 
1 1 1 -4  5  33 o 156.4701 3.719679 1200.695       56.96957 1169.601       79.43652 1233.625       81.74746 154.1821 5.271317 158.3490 5.281543 -4.166885      7.462002 
1 1 1 -4  5  34 o 163.5153 3.814114 1311.788       61.04613 1313.140       86.53564 1310.448       86.13033 163.3060 5.421119 163.1420 5.401112 0.1640015      7.652485 
1 1 1 -4  5  35 o 196.4983 4.880857 1898.690       93.87742 1966.000       163.9511 1865.856       114.5071 198.8449 8.442737 194.4605 6.023082 4.384354       10.37098 
1 1 1 -4  5  36 o 95.70713 3.400198 450.0912       31.80272 453.9623       44.98376 446.2227       44.96791 95.92852 4.806039 95.09880 4.846811 0.8297195      6.825656 
1 1 1 -4  5  37 o 82.13847 3.561547 332.0073       28.56658 311.6412       40.39142 352.3890       40.40707 79.31944 5.231606 84.42377 4.910948 -5.104332      7.175452 
1 1 1 -4  5  38 o 86.85532 3.519152 371.3620       29.85661 388.2920       42.60136 355.0195       41.85575 88.57208 4.933324 84.65218 5.074686 3.919899       7.077438 
1 1 1 -4  5  39 o 65.41286 3.979177 211.4980       25.35732 173.2340       35.32682 252.1657       36.41946 58.72561 6.241164 71.20016 5.262926 -12.47456      8.163977 
1 1 1 -4  5  40 o 41.87125 5.587773 88.50508       22.33016 51.33632       31.62072 125.4812       31.53868 31.52016 9.480567 49.71793 6.647131 -18.19777      11.57867 
1 1 1 -4  5  41 o 22.07192 7.817266 21.75905       21.12365 7.952874       30.21766 34.95342       29.54054 21.38038 8.848821 27.04148 9.265078 -5.661102      12.81184 
1 1 1 -4  5  42 o 100.0684 3.512816 494.2402       34.35458 511.5436       49.35841 477.9807       47.84629 101.3777 4.989403 97.98238 5.005362 3.395340       7.067375 
1 1 1 -4  5  43 o 71.63351 3.976945 254.4759       27.77564 216.1375       38.77365 294.8874       39.80815 65.39510 6.128801 76.74103 5.332714 -11.34592      8.124041 
1 1 1 -4  5  44 f 43.71949 6.838344 98.67528       28.30570 115.6000       51.47267 91.33834       33.89014 45.67420 11.51739 41.44360 8.634879 4.230595       14.39484 
1 1 1 -4  5  45 o 93.00012 3.657751 428.3367       33.23197 422.0506       46.80769 434.7256       47.18882 91.75172 5.233617 93.13882 5.196700 -1.387093      7.375393 
1 1 1 -4  5  46 o 68.77250 4.809163 237.1734       32.16954 232.8726       39.15963 246.1000       56.41679 67.70764 5.969819 68.31686 8.628866 -0.6092224     10.49267 
1 1 1 -4  5  47 o 22.44718 9.177689 13.48859       31.99220 13.48859       31.99220 0.000000       0.000000 22.44718 9.177689 ?        ?        ?              ?        
1 1 1 -4  5  48 o 59.12091 5.410185 178.0917       30.96161 222.8065       38.36692 94.60000       52.42675 65.88457 6.015611 40.05427 12.24113 25.83030       13.63939 
1 1 1 -4  5  49 o 23.10405 8.041354 26.37802       22.28594 -8.228095      32.28706 57.86914       30.79967 18.92843 8.472793 32.20386 9.270878 -13.27542      12.55935 
1 1 1 -4  5  50 o 23.03650 8.506490 24.56161       25.34679 54.50000       45.73642 11.29078       30.45067 31.64276 11.46738 21.35585 8.864710 10.28691       14.49427 
1 1 1 -4  5  51 o 103.0228 3.642449 529.7915       36.67321 525.5772       51.76146 534.0393       51.96666 101.5729 5.223765 102.4063 5.201353 -0.8334351     7.371689 
1 1 1 -4  5  52 f 45.18241 5.877103 106.5644       25.37659 113.4384       35.38027 99.28124       36.41806 45.34338 8.276387 41.84461 9.147227 3.498768       12.33573 
1 1 1 -4  5  53 o 35.90754 9.533548 74.86189       34.06506 62.78000       51.45377 84.29000       45.45293 32.84848 12.12160 37.12533 11.40773 -4.276848      16.64540 
1 1 1 -4  5  54 o 43.60481 5.946776 100.1070       24.72106 110.3844       35.68241 90.62084       34.28138 44.29271 8.539856 39.73687 9.020679 4.555840       12.42183 
1 1 1 -4  5  55 o 27.76502 8.047052 43.43454       23.13236 62.51717       33.75877 26.54386       31.76078 32.47918 9.801782 24.08437 9.372933 8.394804       13.56196 
1 1 1 -4  5  56 o 64.78364 4.263124 213.2113       26.88309 208.6312       38.68190 217.4901       37.38797 62.68420 6.393827 64.29876 6.010137 -1.614555      8.775123 
1 1 1 -4  5  57 o 21.39993 8.367545 19.49497       25.40880 -12.19565      31.98635 73.69000       41.82915 17.87502 8.172235 34.38004 10.99898 -16.50502      13.70266 
1 1 1 -4  5  58 o 41.07235 5.700806 89.13844       22.30175 85.39185       25.58254 101.0000       45.51946 39.56439 6.854100 39.93801 11.19586 -0.3736191     13.12730 
1 1 1 -4  5  59 f 37.19005 8.581937 79.94805       30.60593 79.94805       30.60593 0.000000       0.000000 37.19005 8.581937 ?        ?        ?              ?        
1 1 1 -4  5  60 o 24.51987 8.415072 32.99804       24.37155 8.177547       28.77200 96.04000       45.85426 19.83594 8.446150 38.55898 11.37304 -18.72303      14.16628 
1 1 1 -4  5  61 o 26.40965 9.694859 38.97379       32.84306 -6.372000      46.14911 85.51000       46.75095 21.68212 9.875665 35.95941 11.63964 -14.27730      15.26466 
1 1 1 -4  5  62 o 35.58654 6.604234 69.87611       22.15783 57.62287       24.95654 115.5000       48.15654 31.41595 8.072700 41.67834 11.45268 -10.26240      14.01186 
1 1 1 -4  5  63 o 23.21280 8.354194 29.52815       24.22208 42.37472       28.59579 -3.099000      45.57201 26.67649 9.116386 21.52504 9.807834 5.151442       13.39037 
1 1 1 -4  6  1  o 334.7186 6.390749 5494.627       209.3812 5579.744       299.0372 5412.763       293.2667 336.8249 9.078437 331.7499 9.039632 5.074982       12.81144 
1 1 1 -4  6  2  o 314.1955 6.973888 4843.616       214.4772 5324.000       395.3251 4643.238       255.3197 328.3073 12.32364 307.3248 8.495662 20.98251       14.96825 
1 1 1 -4  6  3  o 163.2128 3.499372 1304.565       55.90498 1354.298       80.71654 1258.711       77.50443 166.1662 4.968229 160.1909 4.948844 5.975357       7.012444 
1 1 1 -4  6  4  f 474.3925 8.908205 11061.73       413.6511 11174.73       590.3782 10952.76       579.7487 475.5926 12.69339 470.8780 12.58969 4.714600       17.87798 
1 1 1 -4  6  5  o 280.2069 5.443679 3849.029       149.3061 3900.506       213.2301 3799.512       209.1310 281.7320 7.739587 278.0650 7.691008 3.666962       10.91113 
1 1 1 -4  6  6  o 375.2424 7.120085 6910.096       261.5190 6929.777       371.6780 6890.798       368.0364 375.1191 10.13186 374.0782 10.06043 1.040955       14.27820 
1 1 1 -4  6  7  o 283.0435 5.487931 3926.809       152.0436 4074.987       220.5456 3792.598       209.8939 288.0036 7.830642 277.8522 7.725053 10.15140       10.99979 
1 1 1 -4  6  8  o 99.91730 2.705997 489.1224       26.44077 507.5427       37.80721 471.4881       36.99192 101.7315 3.803456 98.04305 3.862196 3.688431       5.420594 
1 1 1 -4  6  9  o 475.0403 8.896816 11076.69       413.6865 11219.57       590.3224 10938.81       579.8989 477.2173 12.64882 471.2204 12.58377 5.996887       17.84219 
1 1 1 -4  6  10 o 168.6678 4.157485 1393.063       68.63873 1418.437       85.15446 1346.000       115.9736 170.0969 5.120350 165.5530 7.173777 4.543854       8.813686 
1 1 1 -4  6  11 f 195.3943 4.658185 1869.583       89.09121 1871.425       109.6260 1866.000       152.8922 195.3780 5.738557 194.9342 8.030113 0.4437561      9.869841 
1 1 1 -4  6  12 o 487.5107 9.117040 11654.37       435.0551 11669.80       615.7463 11638.98       614.7763 487.1868 12.92361 486.5432 12.92034 0.6435852      18.27443 
1 1 1 -4  6  13 o 128.0430 3.126502 802.5739       39.18507 762.0710       54.19892 846.9310       56.71907 124.6767 4.448315 131.4452 4.414637 -6.768433      6.267099 
1 1 1 -4  6  14 f 92.60494 3.266683 420.3326       29.56423 401.7000       48.14992 431.6079       37.45612 90.40024 5.467068 93.80144 4.089327 -3.401199      6.827257 
1 1 1 -4  6  15 o 159.1229 4.078246 1240.519       63.46792 1192.000       105.9240 1267.695       79.27430 155.8156 6.962666 160.8130 5.042456 -4.997406      8.596806 
1 1 1 -4  6  16 o 428.4320 8.067479 8998.433       338.3186 8840.792       472.7000 9163.991       484.4251 424.1584 11.39580 431.8359 11.47061 -7.677521      16.16908 
1 1 1 -4  6  17 o 580.8044 10.82278 16562.93       615.2831 16023.45       849.1406 17159.29       892.7823 570.1692 15.22855 589.9785 15.47313 -19.80933      21.71006 
1 1 1 -4  6  18 o 308.3005 6.893118 4658.519       208.0157 4603.015       252.4158 4776.000       367.2301 306.2345 8.428872 311.4725 12.06799 -5.237976      14.72013 
1 1 1 -4  6  19 o 286.5537 6.474351 4024.586       181.5970 3769.000       301.7152 4169.769       227.3984 276.6865 11.16338 291.4582 7.978361 -14.77170      13.72134 
1 1 1 -4  6  20 o 257.8978 5.929236 3259.777       149.6761 3549.000       273.3169 3135.885       178.8840 268.4989 10.41940 252.7587 7.237802 15.74023       12.68660 
1 1 1 -4  6  21 o 271.7962 7.584038 3627.877       201.5697 3401.000       274.1151 3895.000       297.4361 262.7054 10.68229 281.1411 10.82869 -18.43567      15.21091 
1 1 1 -4  6  22 o 227.4405 5.346010 2535.559       119.0155 2464.000       203.1403 2572.960       146.8604 223.6728 9.298759 228.9303 6.560599 -5.257431      11.38017 
1 1 1 -4  6  23 o 204.7125 4.258846 2053.276       85.33802 1972.444       117.8116 2142.508       123.7821 200.4428 6.011492 208.9075 6.059776 -8.464722      8.535744 
1 1 1 -4  6  24 o 287.9121 5.626486 4065.666       158.5636 4048.368       223.8040 4083.100       224.6841 286.8779 7.977859 288.1073 7.974984 -1.229431      11.28036 
1 1 1 -4  6  25 o 298.8522 6.728917 4385.757       196.8375 4201.000       331.9768 4485.926       244.4406 291.2877 11.66699 301.8746 8.280392 -10.58688      14.30677 
1 1 1 -4  6  26 o 183.9341 4.586793 1658.654       82.58054 1694.000       145.6096 1641.894       100.2649 185.3784 8.043769 182.8386 5.609042 2.539749       9.806302 
1 1 1 -4  6  27 o 243.0830 4.890120 2898.137       116.3537 2886.606       164.1253 2909.788       164.9760 242.2393 6.929011 243.2093 6.937105 -0.9700317     9.804827 
1 1 1 -4  6  28 o 163.8722 4.317665 1317.539       69.19614 1296.138       83.91767 1363.000       122.3071 162.4343 5.285036 166.2612 7.535022 -3.826920      9.203704 
1 1 1 -4  6  29 o 162.3966 4.324204 1294.100       68.67563 1270.984       83.34195 1343.000       121.2157 160.8324 5.301245 165.0062 7.524832 -4.173859      9.204688 
1 1 1 -4  6  30 o 88.63586 3.912645 385.8973       33.86216 378.8686       41.21362 400.5000       59.40440 87.74065 4.817297 89.97928 6.795031 -2.238632      8.329393 
1 1 1 -4  6  31 o 266.9713 6.152425 3504.480       160.7745 3444.160       194.8851 3633.000       284.4683 264.2508 7.542243 270.3263 10.77234 -6.075439      13.15023 
1 1 1 -4  6  32 o 220.6534 5.277892 2391.757       113.9928 2632.000       207.2423 2287.540       136.4963 230.4184 9.207261 215.4939 6.478480 14.92445       11.25808 
1 1 1 -4  6  33 o 211.5518 5.118458 2199.174       105.9893 2160.000       179.7388 2220.058       131.2345 208.6553 8.820371 212.2371 6.324197 -3.581741      10.85331 
1 1 1 -4  6  34 o 130.2778 3.971822 833.7386       50.58931 759.4000       81.11531 881.0604       64.71816 123.8936 6.713876 133.7921 4.950387 -9.898422      8.341611 
1 1 1 -4  6  35 o 109.9136 3.384676 593.2456       36.37115 616.1962       51.79837 570.9253       51.08225 111.8437 4.742260 107.6312 4.861250 4.212440       6.791228 
1 1 1 -4  6  36 o 131.7823 3.472692 853.0754       44.75599 863.6108       63.54792 842.7065       63.04413 132.3519 4.913825 130.7338 4.935499 1.618073       6.964540 
1 1 1 -4  6  37 o 87.36710 3.455494 375.4805       29.49217 361.2184       41.27985 390.3503       42.15023 85.45751 4.956203 88.86433 4.864360 -3.406815      6.944490 
1 1 1 -4  6  38 o 117.5195 3.397302 679.2449       39.03859 671.5670       54.95779 687.0648       55.46349 116.5625 4.827307 117.9047 4.815981 -1.342209      6.818839 
1 1 1 -4  6  39 o 97.50435 3.429248 468.1136       32.67777 423.7440       45.13494 516.9923       47.37294 92.44196 5.006814 102.1980 4.748654 -9.756065      6.900572 
1 1 1 -4  6  40 o 205.2985 4.411918 2082.043       88.65832 2031.137       123.8837 2135.490       126.9356 201.7238 6.281744 206.8487 6.276641 -5.124863      8.880120 
1 1 1 -4  6  41 o 88.08447 3.540106 382.9347       30.46044 329.4857       41.97393 442.3995       44.27311 81.26229 5.305986 94.36309 4.809126 -13.10080      7.161088 
1 1 1 -4  6  42 o 26.79472 7.811456 37.22675       21.74032 32.93317       30.60175 41.60194       30.89121 26.63258 9.411191 28.78740 9.471001 -2.154814      13.35179 
1 1 1 -4  6  43 o 37.51660 6.426046 72.59968       22.74954 100.9945       32.18323 44.24197       32.16219 43.97560 7.760322 29.49016 9.661820 14.48544       12.39247 
1 1 1 -4  6  44 o 40.07906 6.286228 82.59897       23.85072 114.0387       34.03962 52.27761       33.42870 46.75082 7.706881 31.50846 9.800573 15.24236       12.46785 
1 1 1 -4  6  45 o 62.08839 5.129590 193.8214       30.89658 206.2000       56.25507 188.4746       36.97196 62.13919 9.554402 60.81276 6.302400 1.326431       11.44582 
1 1 1 -4  6  46 o 36.80145 9.434797 74.14213       34.14280 52.21000       48.74844 95.26000       47.83496 32.41656 11.82549 41.05412 11.46563 -8.637554      16.47128 
1 1 1 -4  6  47 o 56.15772 5.479676 160.4567       29.73834 158.0431       36.27899 165.4000       51.91974 55.14487 6.869705 54.72959 10.06248 0.4152794      12.18386 
1 1 1 -4  6  48 o 52.44340 5.746680 141.2902       29.01695 115.1241       35.93763 190.3000       49.18376 46.13585 8.261405 59.28773 8.736818 -13.15188      12.02426 
1 1 1 -4  6  49 o 66.56104 4.742717 224.0411       30.69721 251.0000       53.73488 210.9808       37.40091 68.40271 8.188075 63.94484 6.047289 4.457867       10.17911 
1 1 1 -4  6  50 f 17.36658 7.376543 3.274837       21.85309 17.88746       31.49058 -10.29915      30.35080 22.80175 9.184599 17.98611 8.118869 4.815639       12.25858 
1 1 1 -4  6  51 o 58.38311 4.728148 173.1461       26.78893 177.1115       37.68948 169.0972       38.08415 57.97838 6.768399 56.47608 7.041837 1.502304       9.767225 
1 1 1 -4  6  52 o 63.89853 5.073435 208.8547       31.47182 207.5287       39.37566 211.2000       52.36831 62.84731 6.494247 61.61666 8.943970 1.230652       11.05305 
1 1 1 -4  6  53 o 62.72415 4.587089 200.0533       27.96823 240.4777       40.74056 164.0210       38.46368 67.78209 6.209446 55.21002 7.295890 12.57207       9.580565 
1 1 1 -4  6  54 o 52.00248 5.128645 139.5203       25.76611 185.9224       37.22232 96.82968       35.70273 59.20617 6.531297 40.99953 9.130789 18.20663       11.22627 
1 1 1 -4  6  55 o 72.07346 3.943092 262.2050       27.71156 292.7643       40.21162 234.5652       38.24260 75.10812 5.507936 66.91232 5.899307 8.195808       8.070885 
1 1 1 -4  6  56 o 47.10114 6.266186 118.0667       28.17351 136.8489       35.03634 83.70000       47.39317 50.02963 7.375595 36.26283 11.71777 13.76680       13.84578 
1 1 1 -4  6  57 o 59.19246 4.231812 178.2272       24.35703 192.9927       28.00740 132.4000       49.34128 61.34001 4.700501 46.11932 11.07072 15.22068       12.02729 
1 1 1 -4  6  58 o 50.77718 5.597387 135.2522       27.35916 135.2522       27.35916 0.000000       0.000000 50.77718 5.597387 ?        ?        ?              ?        
1 1 1 -4  6  59 o 52.28436 4.769596 140.8919       24.14105 128.1637       27.47483 184.0000       50.56276 49.25908 5.809906 55.98487 9.570456 -6.725792      11.19592 
1 1 1 -4  6  60 o 30.74762 9.004061 55.82311       28.82887 59.70000       36.91247 49.76000       46.16143 31.26361 10.35587 29.41857 11.34026 1.845043       15.35726 
1 1 1 -4  6  61 o 39.57767 10.13153 97.09000       39.41186 97.09000       39.41186 0.000000       0.000000 39.57767 10.13153 ?        ?        ?              ?        
1 1 1 -4  6  62 o 27.72762 8.711675 45.57959       26.34421 33.95580       32.25966 68.85000       45.64444 25.05299 9.524051 32.25903 11.48454 -7.206045      14.91986 
1 1 1 -4  7  1  o 543.5165 10.16617 14541.44       540.8493 14765.78       773.3160 14326.64       756.7072 545.8929 14.48529 537.7522 14.38898 8.140686       20.41730 
1 1 1 -4  7  2  o 362.2301 6.879907 6438.500       243.9345 6546.711       348.9792 6335.116       341.1066 364.6438 9.786272 358.7121 9.723859 5.931732       13.79582 
1 1 1 -4  7  3  o 336.3940 9.119691 5567.452       300.0086 5615.000       426.7728 5521.000       421.8230 336.9301 12.96468 334.1052 12.92292 2.824921       18.30532 
1 1 1 -4  7  4  o 199.0514 5.797616 1944.253       112.8386 1965.000       160.5497 1924.000       158.6237 199.8462 8.225009 197.7483 8.212875 2.097870       11.62334 
1 1 1 -4  7  5  o 73.03057 2.506735 261.4179       17.89267 241.1834       24.99992 282.6680       25.61956 70.08074 3.657118 75.89599 3.457714 -5.815247      5.032921 
1 1 1 -4  7  6  o 223.7893 4.481766 2453.360       98.17362 2386.058       136.3955 2525.708       141.4176 220.5060 6.325904 226.8676 6.374636 -6.361633      8.980703 
1 1 1 -4  7  7  f 170.6917 3.633533 1426.711       60.70825 1446.706       86.51231 1407.314       85.21135 171.7597 5.151594 169.4034 5.144849 2.356262       7.280686 
1 1 1 -4  7  8  o 205.4384 4.190010 2066.842       84.25639 2132.584       121.8012 2006.515       116.6770 208.5286 5.973482 202.2711 5.899421 6.257462       8.395574 
1 1 1 -4  7  9  o 156.2265 3.951905 1195.817       60.38354 1223.540       75.33479 1146.000       100.9849 157.9832 4.877518 152.7687 6.770112 5.214569       8.344135 
1 1 1 -4  7  10 o 372.8575 8.155368 6815.635       297.6410 6904.359       368.0737 6648.000       505.9367 374.9782 10.03722 367.3531 14.09655 7.625153       17.30487 
1 1 1 -4  7  11 o 372.0771 7.052390 6783.438       256.8476 6767.631       362.7490 6799.332       363.7276 371.2916 9.990329 372.1604 9.993856 -0.8688354     14.13095 
1 1 1 -4  7  12 o 428.0964 8.051173 8982.646       337.3704 8838.085       471.5611 9134.223       482.8674 424.1743 11.36787 431.2157 11.45016 -7.041382      16.13489 
1 1 1 -4  7  13 o 333.7775 7.363931 5459.359       240.5875 5417.000       413.1411 5481.095       295.9448 331.8188 12.74381 334.2109 9.054910 -2.392090      15.63317 
1 1 1 -4  7  14 o 213.0852 5.004490 2223.553       104.3805 2336.000       184.7082 2170.794       126.5195 218.1027 8.669318 210.4199 6.149369 7.682800       10.62882 
1 1 1 -4  7  15 o 485.2690 9.085952 11549.15       431.5779 11443.93       606.3909 11657.16       614.3738 482.3799 12.85418 486.8470 12.90378 -4.467072      18.21367 
1 1 1 -4  7  16 o 102.7295 3.077455 517.0906       30.91029 487.9807       42.58318 549.5110       44.93944 99.73205 4.372744 105.8459 4.346828 -6.113838      6.165696 
1 1 1 -4  7  17 o 388.6339 8.518465 7407.592       324.0472 6974.000       538.7530 7653.370       405.6215 376.0281 14.66549 394.6724 10.50908 -18.64435      18.04210 
1 1 1 -4  7  18 o 148.6100 3.482964 1081.298       50.66444 1122.532       72.65066 1042.260       70.69024 151.3077 4.911884 145.7887 4.960924 5.519028       6.981216 
1 1 1 -4  7  19 o 234.4028 6.697810 2695.862       153.5169 2597.000       210.1452 2809.000       224.8071 229.7819 9.362847 238.9580 9.631034 -9.176071      13.43204 
1 1 1 -4  7  20 o 284.4384 5.559905 3964.963       154.7967 3848.650       214.4998 4091.372       223.6158 279.9403 7.835788 288.6285 7.922606 -8.688202      11.14304 
1 1 1 -4  7  21 o 377.3429 8.312991 6992.704       307.0433 7188.000       540.5946 6899.700       373.0568 380.9658 14.52364 374.3653 10.19007 6.600464       17.74187 
1 1 1 -4  7  22 o 392.7794 7.455456 7574.554       286.6349 7201.692       391.1643 8006.936       421.2294 382.2605 10.46411 403.0202 10.68733 -20.75967      14.95716 
1 1 1 -4  7  23 o 179.0286 3.874129 1570.163       67.88954 1517.516       94.03982 1627.466       98.11010 175.8320 5.470618 182.0925 5.510810 -6.260544      7.765094 
1 1 1 -4  7  24 o 191.2549 4.056654 1792.290       75.94280 1702.970       104.2367 1893.337       110.8685 186.2332 5.724973 196.3705 5.774276 -10.13725      8.131272 
1 1 1 -4  7  25 o 254.2246 5.060856 3169.409       125.9354 3166.584       177.9324 3172.244       178.2672 253.7565 7.170797 253.9822 7.177905 -0.2256775     10.14607 
1 1 1 -4  7  26 o 263.3302 6.044761 3404.372       155.8067 3369.000       269.0199 3422.225       191.1244 260.9176 10.55534 263.7100 7.411639 -2.792389      12.89758 
1 1 1 -4  7  27 o 218.3040 5.214206 2338.248       111.4182 2261.000       190.1874 2378.612       137.4801 213.9300 9.103278 219.9498 6.392505 -6.019791      11.12357 
1 1 1 -4  7  28 o 304.2104 5.930010 4545.016       176.5777 4558.883       250.1634 4531.248       249.2760 304.0258 8.414436 303.1034 8.410144 0.9223633      11.89678 
1 1 1 -4  7  29 o 192.4969 4.135783 1816.788       77.92695 1831.499       110.5972 1802.284       109.8176 193.0121 5.860801 191.4642 5.866658 1.547852       8.292567 
1 1 1 -4  7  30 o 85.17838 4.831074 357.1750       40.11392 357.1750       40.11392 0.000000       0.000000 85.17838 4.831074 ?        ?        ?              ?        
1 1 1 -4  7  31 o 234.5584 5.554375 2703.256       127.5241 2719.902       157.0174 2671.000       218.5776 234.9448 6.834986 232.0455 9.644375 2.899307       11.82079 
1 1 1 -4  7  32 o 114.4347 3.399645 642.5148       38.03784 634.6758       54.06778 650.1969       53.52362 113.5831 4.874508 114.9790 4.766105 -1.395897      6.817373 
1 1 1 -4  7  33 o 130.0821 3.953855 831.0056       50.28519 950.0000       89.09570 775.3826       60.91448 138.6862 6.582010 125.5224 4.967658 13.16379       8.246240 
1 1 1 -4  7  34 o 184.1603 4.663586 1667.665       83.99871 1599.000       140.0523 1706.243       104.9754 179.5113 7.990651 186.0489 5.771384 -6.537567      9.856945 
1 1 1 -4  7  35 o 75.83514 5.423741 284.7257       39.99436 322.9000       59.89040 254.0000       53.73076 80.34045 7.710359 71.14068 7.846297 9.199768       11.00064 
1 1 1 -4  7  36 o 163.5416 3.790353 1313.950       60.67561 1262.914       83.97344 1369.704       87.76889 159.9413 5.371450 166.5685 5.390312 -6.627106      7.609726 
1 1 1 -4  7  37 o 40.91157 5.427825 84.08305       21.20016 70.43282       29.23796 99.21594       30.78492 36.83155 8.308442 44.07664 7.397291 -7.245090      11.12430 
1 1 1 -4  7  38 o 128.7046 3.473626 814.9359       43.72062 784.2343       60.79685 847.8176       62.91828 125.9199 4.942250 130.9391 4.917834 -5.019142      6.972154 
1 1 1 -4  7  39 o 105.8405 3.435037 551.5982       35.53971 532.3223       49.73779 571.7067       50.80056 103.6424 4.916804 107.4356 4.843199 -3.793182      6.901561 
1 1 1 -4  7  40 f 44.12098 5.460459 98.10409       23.07915 75.54162       32.66437 120.5962       32.61339 37.80814 8.963588 48.56403 7.068068 -10.75589      11.41506 
1 1 1 -4  7  41 f 33.83181 6.903097 59.47402       22.08500 91.49239       31.94745 30.16820       30.56424 41.82709 8.095848 26.02623 9.382110 15.80087       12.39221 
1 1 1 -4  7  42 o 59.17983 5.179863 175.5418       29.70313 197.7000       53.34301 165.5838       35.75999 61.40432 9.154407 57.07199 6.518035 4.332329       11.23779 
1 1 1 -4  7  43 o 97.76620 3.535023 472.3998       33.77316 475.7931       47.75363 469.0041       47.77130 97.63888 5.013418 96.92324 5.052835 0.7156372      7.117970 
1 1 1 -4  7  44 o 50.21744 4.981046 126.8412       24.16161 122.7623       34.52031 130.7585       33.82952 48.58868 7.499372 50.33635 7.059885 -1.747669      10.29964 
1 1 1 -4  7  45 f 84.67776 4.290560 357.0246       35.44638 350.9072       43.69411 368.8000       60.62172 83.54465 5.371623 84.67768 7.387869 -1.133034      9.134273 
1 1 1 -4  7  46 f 69.55547 5.842783 245.8253       39.41196 269.7000       57.96616 225.3000       53.74656 71.50732 8.444370 65.18218 8.636245 6.325142       12.07858 
1 1 1 -4  7  47 o 34.08166 8.261937 63.17257       27.27212 77.93000       49.63466 56.79047       32.64082 36.97958 11.99511 32.14051 9.624320 4.839066       15.37889 
1 1 1 -4  7  48 o 37.78823 7.537329 76.85588       26.90113 86.78000       45.81690 71.63473       33.23251 38.55362 11.36761 35.74297 9.381869 2.810642       14.73913 
1 1 1 -4  7  49 o 15.55879 7.110949 -12.91258      24.19197 -1.410251      30.58074 -32.15000      39.54836 19.35052 8.472025 18.38695 8.636090 0.9635620      12.09782 
1 1 1 -4  7  50 o 27.20040 8.549583 40.23254       25.37042 46.83572       31.80502 28.68000       42.06857 29.19042 9.610379 26.60278 10.65015 2.587635       14.34521 
1 1 1 -4  7  51 o 35.56863 7.906358 69.68590       26.81310 65.22383       33.31610 77.89000       45.17536 33.73658 9.620052 36.13344 11.41546 -2.396858      14.92843 
1 1 1 -4  7  52 o 55.23990 4.938070 156.0542       26.41902 133.6954       36.51904 180.6038       38.26646 49.56525 7.783437 58.36995 6.826431 -8.804691      10.35288 
1 1 1 -4  7  53 o 66.93810 4.346376 226.8829       28.32386 262.3036       40.71505 193.6664       39.42792 71.01516 5.910845 60.39130 6.787317 10.62386       9.000319 
1 1 1 -4  7  54 o 42.01171 5.992597 93.32022       23.94525 96.11293       34.04597 90.58653       33.68431 41.04556 8.742105 39.72589 8.885471 1.319668       12.46499 
1 1 1 -4  7  55 o 27.73305 7.539915 43.07467       21.00152 58.31046       24.13421 -4.451000      42.62503 32.18646 7.753071 21.49743 9.669895 10.68903       12.39423 
1 1 1 -4  7  56 o 45.50979 5.071459 107.3480       22.20805 85.58531       24.99298 189.0000       48.41111 39.79318 6.651144 57.66777 8.859350 -17.87459      11.07817 
1 1 1 -4  7  57 o 37.16322 7.029684 75.84879       24.63502 75.84879       24.63502 0.000000       0.000000 37.16322 7.029684 ?        ?        ?              ?        
1 1 1 -4  7  58 o 46.68933 5.167061 113.4525       23.21917 101.0857       26.39972 155.7000       48.79453 43.36484 6.412610 50.95553 10.13981 -7.590691      11.99739 
1 1 1 -4  7  59 o 38.98850 6.886107 83.32652       25.31878 61.86646       29.36503 145.5000       49.98246 32.38005 8.961097 48.42594 10.81787 -16.04589      14.04734 
1 1 1 -4  7  60 o 38.01602 6.320697 78.11223       22.69448 74.25238       25.75051 91.54000       48.02892 36.38770 7.479889 37.30305 11.76859 -0.9153481     13.94447 
1 1 1 -4  7  61 o 33.40783 6.783933 61.86816       21.42558 47.67335       23.97783 118.1000       47.72392 28.63712 8.159681 42.61040 11.27067 -13.97328      13.91432 
1 1 1 -4  7  62 o 25.78773 8.778817 38.62632       26.51283 38.62632       26.51283 0.000000       0.000000 25.78773 8.778817 ?        ?        ?              ?        
1 1 1 -4  8  1  f 227.5264 4.552280 2536.221       101.3834 2519.254       142.8891 2553.421       143.8715 226.5554 6.450017 228.0877 6.450645 -1.532303      9.122146 
1 1 1 -4  8  2  o 130.2711 4.314863 832.2244       54.94419 830.8000       78.39009 833.6000       77.03330 130.0233 6.177000 130.2527 6.058665 -0.2294922     8.652327 
1 1 1 -4  8  3  o 419.3166 7.903825 8630.381       324.4035 8303.688       446.3059 8996.317       472.3531 410.5705 11.11574 427.3162 11.30297 -16.74573      15.85298 
1 1 1 -4  8  4  o 337.9001 6.452883 5598.273       213.4265 5617.844       303.0201 5579.007       300.6552 338.0505 9.166098 336.8857 9.125992 1.164825       12.93449 
1 1 1 -4  8  5  o 461.3330 8.654680 10447.42       390.8155 10438.38       552.5293 10456.46       552.8640 460.2757 12.27493 460.6753 12.27168 -0.3996582     17.35707 
1 1 1 -4  8  6  o 203.6234 4.159989 2030.492       82.91364 2079.506       118.5568 1983.570       116.0001 205.9183 5.888051 201.1075 5.899206 4.810776       8.334853 
1 1 1 -4  8  7  o 138.5428 3.189962 939.6876       43.25892 895.6078       59.64503 988.6071       62.83419 135.1574 4.514798 142.0083 4.526174 -6.850876      6.392937 
1 1 1 -4  8  8  o 561.6021 12.10803 15498.86       665.5926 15787.30       827.4267 14970.00       1120.393 566.0090 14.94790 549.3625 20.87353 16.64655       25.67380 
1 1 1 -4  8  9  o 501.5894 10.83838 12349.33       532.1318 12795.77       668.9424 11580.00       878.1387 510.0063 13.41171 484.0018 18.57019 26.00452       22.90689 
1 1 1 -4  8  10 o 518.9112 9.691450 13207.28       492.2526 13567.65       710.4551 12874.54       682.6762 525.1680 13.83281 511.6043 13.64465 13.56369       19.42995 
1 1 1 -4  8  11 o 101.5246 2.884128 504.9542       28.63199 505.4291       40.51542 504.4803       40.46814 101.5214 4.085493 101.4260 4.084577 0.9543610E-01  5.777112 
1 1 1 -4  8  12 o 528.9865 11.40336 13737.00       590.4509 14620.00       1068.767 13349.11       708.3658 543.6128 20.12043 520.8951 13.90560 22.71771       24.45807 
1 1 1 -4  8  13 o 257.5782 5.845153 3249.795       147.3707 3292.000       255.7878 3228.824       180.3036 258.8347 10.11551 256.5911 7.185954 2.243652       12.40813 
1 1 1 -4  8  14 o 213.7473 4.364464 2237.108       91.31408 2178.407       126.9248 2300.088       131.4703 210.7843 6.158402 216.5930 6.207621 -5.808746      8.744168 
1 1 1 -4  8  15 f 138.2058 3.863976 935.9265       52.22046 897.8356       61.80236 1031.000       97.63914 135.3240 4.672787 144.8850 6.904717 -9.560959      8.337270 
1 1 1 -4  8  16 o 53.03567 4.581534 138.7702       23.55103 164.2000       45.75549 129.6048       27.46921 57.25867 8.414679 51.13497 5.578460 6.123699       10.09584 
1 1 1 -4  8  17 o 269.6249 6.109233 3562.146       161.2326 3620.000       280.4251 3533.577       197.0618 271.2801 10.58099 268.3558 7.509528 2.924347       12.97499 
1 1 1 -4  8  18 o 153.4781 3.516451 1153.361       52.82713 1087.726       72.13595 1229.275       77.57828 148.9316 4.955229 158.3324 5.012004 -9.400803      7.048013 
1 1 1 -4  8  19 o 368.0794 7.013674 6644.382       252.6931 6687.440       359.3064 6602.244       355.4488 368.7510 9.963771 366.4007 9.920061 2.350311       14.06003 
1 1 1 -4  8  20 o 327.3649 6.300800 5254.855       201.8990 5007.435       275.8403 5540.368       296.3143 319.1530 8.838344 335.6879 9.026201 -16.53482      12.63284 
1 1 1 -4  8  21 o 282.4330 6.393995 3912.691       176.7640 3820.000       302.0625 3960.964       217.9860 278.2246 11.11398 283.9019 7.851839 -5.677277      13.60779 
1 1 1 -4  8  22 o 211.4795 5.056402 2192.307       104.6685 2185.000       181.3862 2195.956       128.1587 210.6046 8.818448 211.4811 6.197820 -0.8765259     10.77859 
1 1 1 -4  8  23 o 349.6145 6.693806 6000.521       229.0703 5733.431       313.8097 6305.174       335.1510 341.1082 9.407688 357.6793 9.581462 -16.57108      13.42792 
1 1 1 -4  8  24 o 206.8425 4.291256 2096.770       86.88213 2052.762       121.2853 2143.155       124.5182 204.4313 6.067860 208.8841 6.096580 -4.452850      8.601582 
1 1 1 -4  8  25 o 140.9899 3.390164 973.7894       46.78587 947.0753       65.37161 1001.841       66.98844 138.8924 4.815730 142.8581 4.797393 -3.965714      6.797517 
1 1 1 -4  8  26 o 232.2417 4.715201 2644.978       107.1881 2678.676       153.0321 2612.524       150.1819 233.3839 6.705885 230.4887 6.663736 2.895157       9.453796 
1 1 1 -4  8  27 o 227.8527 4.664594 2546.188       104.0337 2631.849       150.7154 2468.228       143.7813 231.3084 6.663661 224.0137 6.564327 7.294678       9.353864 
1 1 1 -4  8  28 o 226.1890 6.600475 2517.175       145.9782 2404.000       202.3487 2640.000       210.7993 220.4420 9.399352 231.0424 9.340442 -10.60043      13.25110 
1 1 1 -4  8  29 o 235.0736 6.822028 2720.549       156.8065 2632.000       218.8305 2814.000       224.8059 230.5112 9.720431 238.3800 9.654528 -7.868851      13.70024 
1 1 1 -4  8  30 o 175.7389 3.936253 1514.339       67.71068 1544.766       96.78628 1485.171       94.76057 177.2413 5.585797 173.7865 5.577867 3.454788       7.893905 
1 1 1 -4  8  31 o 153.6118 5.159334 1160.189       77.46540 1205.000       109.3238 1115.000       109.7828 156.2231 7.168404 150.2019 7.490753 6.021179       10.36809 
1 1 1 -4  8  32 f 212.8044 6.288854 2231.463       130.8524 2108.000       177.3438 2379.000       193.8642 206.1544 8.808857 218.9425 9.065714 -12.78810      12.64054 
1 1 1 -4  8  33 o 165.1400 3.834879 1338.048       61.98837 1370.734       88.98936 1307.237       86.39766 166.8429 5.456430 162.9344 5.424866 3.908524       7.694271 
1 1 1 -4  8  34 o 45.12787 5.038942 101.4019       21.87882 113.5319       30.55742 88.64260       31.34007 47.48437 6.765605 41.61837 7.983561 5.866001       10.46473 
1 1 1 -4  8  35 o 130.2035 3.942412 833.5229       50.18689 832.0000       84.60495 834.3497       62.33918 129.5273 6.695838 130.1053 4.903860 -0.5779572     8.299523 
1 1 1 -4  8  36 o 176.4245 4.581726 1533.409       79.05448 1566.779       97.93524 1471.000       133.9312 178.0390 5.626823 171.6439 7.993582 6.395065       9.775402 
1 1 1 -4  8  37 o 97.12350 3.354280 463.9605       31.84033 433.4711       43.97626 497.5549       46.16119 93.62514 4.814829 100.3449 4.712926 -6.719780      6.737525 
1 1 1 -4  8  38 o 89.72400 3.412595 396.3730       29.91626 407.3013       42.19276 385.3246       42.42414 90.69784 4.769401 88.17393 4.935182 2.523911       6.863177 
1 1 1 -4  8  39 o 87.52897 3.469909 377.5881       29.66981 367.3367       41.69040 388.1086       42.23376 86.01445 4.972949 88.43917 4.897882 -2.424721      6.979933 
1 1 1 -4  8  40 o 58.50038 4.225761 169.9296       24.03438 178.8271       34.43547 161.4782       33.56091 59.60297 5.983284 56.56112 6.161394 3.041851       8.588508 
1 1 1 -4  8  41 o 115.3952 3.467353 656.8615       39.12001 656.4985       55.53749 657.2189       55.11306 114.8973 4.949828 114.9756 4.908436 -0.7826996E-01 6.970907 
1 1 1 -4  8  42 o 105.4075 3.495682 548.6583       36.01707 507.5921       49.73663 593.9385       52.22617 100.8906 5.052467 109.2136 4.897921 -8.322937      7.036836 
1 1 1 -4  8  43 f 91.35833 3.565848 412.7179       31.82602 410.6101       44.81039 414.8635       45.20985 90.65174 5.070261 91.11438 5.089432 -0.4626389     7.184001 
1 1 1 -4  8  44 o 92.21725 4.091158 422.3391       36.83683 446.7258       46.08730 379.2000       61.29725 94.51234 4.999588 85.98197 7.353822 8.530365       8.892388 
1 1 1 -4  8  45 o 111.3821 4.044998 616.2354       44.02690 594.5592       53.81672 660.1000       76.55646 108.9511 5.060196 113.7055 6.911146 -4.754395      8.565601 
1 1 1 -4  8  46 o 28.87233 7.800973 44.66101       22.56424 64.57446       31.99797 24.96343       31.82406 34.31754 9.297098 24.67638 9.440443 9.641163       13.24983 
1 1 1 -4  8  47 o 38.75491 7.315234 79.95612       26.73286 59.85000       43.29139 92.34834       33.98693 33.06152 11.21835 41.10537 8.717711 -8.043854      14.20739 
1 1 1 -4  8  48 f 32.32960 8.336857 57.54696       26.55254 110.2000       49.43518 36.19754       31.47875 43.24191 11.48641 26.78610 9.537229 16.45582       14.92972 
1 1 1 -4  8  49 o 116.5979 4.092708 680.8995       46.63733 811.8000       88.34799 630.3317       54.91153 124.3173 7.292396 111.5212 5.043422 12.79616       8.866518 
1 1 1 -4  8  50 o 40.66843 6.947218 88.34629       26.66269 104.4095       33.85727 62.12000       43.26172 43.60922 8.233447 32.91850 11.21384 10.69072       13.91186 
1 1 1 -4  8  51 o 17.88032 7.742157 0.8715675      24.94837 -8.108058      31.01629 17.33000       41.99088 18.40589 8.266498 24.67008 10.33781 -6.264191      13.23652 
1 1 1 -4  8  52 o 26.18686 8.663981 37.17696       25.83879 47.82426       32.18137 17.86000       43.34652 29.19570 9.669407 24.86082 10.46580 4.334885       14.24887 
1 1 1 -4  8  53 o 45.38239 6.314507 109.0462       27.29131 119.5107       34.28588 90.95000       45.08679 46.68821 7.775784 38.49186 11.25707 8.196350       13.68154 
1 1 1 -4  8  54 o 41.03782 5.465885 88.14057       21.41043 82.40385       24.37713 107.5000       44.78132 39.09784 6.604794 41.83621 10.84635 -2.738377      12.69908 
1 1 1 -4  8  55 o 51.11867 4.621096 134.0061       22.87282 126.6698       26.06198 158.6000       47.71778 49.22791 5.502678 51.97405 9.737387 -2.746143      11.18464 
1 1 1 -4  8  56 o 22.27142 8.112070 24.71082       22.92691 24.71082       22.92691 0.000000       0.000000 22.27142 8.112070 ?        ?        ?              ?        
1 1 1 -4  8  57 o 54.86356 4.484778 154.0280       23.87417 158.5156       27.31369 139.5000       49.14466 55.31386 5.102222 47.57645 10.80080 7.737404       11.94529 
1 1 1 -4  8  58 o 37.16272 7.054830 76.07990       24.72423 81.26186       29.17020 62.86000       46.59151 37.78625 8.128181 31.91384 11.57288 5.872416       14.14210 
1 1 1 -4  8  59 o 56.11194 4.585797 161.7297       24.96751 162.3259       28.24699 159.6000       53.38631 55.82668 5.230102 50.43439 11.11442 5.392296       12.28350 
1 1 1 -4  8  60 o 43.24627 5.359800 98.28759       22.20312 91.69257       25.14837 121.6000       47.28196 41.13687 6.458068 43.75058 11.04205 -2.613712      12.79193 
1 1 1 -4  8  61 o 27.92735 7.369200 44.41349       20.43359 48.45649       22.96848 29.07000       44.74477 28.94016 7.892150 25.66816 10.70758 3.271997       13.30182 
1 1 1 -4  8  62 o 38.14086 6.765370 80.76218       24.33255 73.59753       28.13913 102.0000       48.44716 35.35843 8.277382 38.49437 11.76794 -3.135941      14.38748 
1 1 1 -4  9  1  o 210.4057 4.284351 2168.157       88.23660 2090.591       122.0304 2253.145       127.7358 206.4492 6.045282 214.3279 6.094935 -7.878769      8.584502 
1 1 1 -4  9  2  o 229.3964 6.500670 2581.473       145.8186 2767.000       215.9545 2426.000       197.6909 237.2171 9.318708 222.1196 9.112058 15.09750       13.03334 
1 1 1 -4  9  3  o 244.2254 4.839433 2921.545       115.6889 2806.481       159.8649 3048.056       167.6287 239.1735 6.835644 249.2592 6.877113 -10.08571      9.696428 
1 1 1 -4  9  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9  5  o 223.2760 4.490483 2441.309       98.13894 2381.599       136.9793 2504.283       140.6732 220.3705 6.356960 225.9792 6.366047 -5.608704      8.996527 
1 1 1 -4  9  6  o 594.1979 11.08276 17338.26       644.5928 17486.27       918.0012 17194.32       905.3148 595.4985 15.76298 590.5272 15.67609 4.971252       22.23087 
1 1 1 -4  9  7  o 97.55898 3.952749 466.7598       37.66799 406.6000       55.30945 518.8000       51.44175 90.88840 6.255200 102.7967 5.128664 -11.90825      8.088926 
1 1 1 -4  9  8  o 244.0884 5.577396 2918.047       133.2554 2862.231       161.7398 3036.000       235.1207 241.6007 6.846216 248.6005 9.680855 -6.999741      11.85705 
1 1 1 -4  9  9  f 684.1998 12.71972 22996.96       851.8571 22943.13       1205.818 23050.60       1203.600 681.8631 18.08265 683.4830 18.00640 -1.619873      25.51886 
1 1 1 -4  9  10 o 398.9700 8.698255 7804.063       339.6867 8476.000       622.5279 7519.178       405.3499 414.7400 15.36129 391.3119 10.59255 23.42807       18.65935 
1 1 1 -4  9  11 o 340.3727 7.496775 5677.623       249.7672 5946.000       445.2702 5554.411       301.7020 347.6025 13.11033 336.4234 9.170457 11.17908       15.99931 
1 1 1 -4  9  12 o 349.5726 6.664259 5987.225       228.0318 5968.952       322.0632 6005.593       322.9099 348.7199 9.444047 349.7898 9.439852 -1.069885      13.35293 
1 1 1 -4  9  13 o 410.9229 7.757886 8276.815       312.0398 8169.398       438.0005 8387.522       444.6566 407.7875 10.98323 413.1965 11.00395 -5.409027      15.54729 
1 1 1 -4  9  14 o 195.3679 4.759960 1869.165       91.02544 1859.208       110.6581 1890.000       160.0741 194.7313 5.812028 196.1525 8.356363 -1.421188      10.17882 
1 1 1 -4  9  15 o 137.0468 3.923400 920.3680       52.57636 828.9000       89.86397 967.9730       64.83021 129.8538 7.097069 140.5109 4.720392 -10.65717      8.523526 
1 1 1 -4  9  16 o 189.1539 3.996558 1751.963       73.99588 1715.769       103.0347 1790.513       106.3353 187.0589 5.633706 191.0898 5.691389 -4.030899      8.008155 
1 1 1 -4  9  17 o 357.9412 6.826756 6280.958       239.1841 6564.490       348.6212 6028.802       328.7660 365.4845 9.753648 350.2668 9.598232 15.21768       13.68429 
1 1 1 -4  9  18 o 247.6840 4.933772 3005.419       119.6143 3122.045       173.0463 2898.710       165.5247 252.2186 7.016185 243.0278 6.965445 9.190796       9.886571 
1 1 1 -4  9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  9  20 o 316.6812 6.109070 4917.834       189.3667 4742.033       261.0589 5113.058       275.1027 310.5536 8.596342 322.4607 8.723905 -11.90717      12.24760 
1 1 1 -4  9  21 o 223.2892 6.446501 2448.212       140.7483 2239.000       189.9382 2703.000       209.6087 213.1667 9.124152 234.2456 9.159450 -21.07898      12.92848 
1 1 1 -4  9  22 o 304.6241 6.846063 4555.796       204.1322 4317.000       341.2510 4688.858       254.7334 295.3890 11.82639 308.6768 8.438854 -13.28775      14.52851 
1 1 1 -4  9  23 o 196.0731 4.790271 1884.667       91.93572 1813.000       156.5875 1922.366       113.5711 191.8040 8.360605 197.8556 5.870752 -6.051636      10.21594 
1 1 1 -4  9  24 o 226.9590 4.610064 2525.251       102.4143 2452.655       142.2260 2603.430       147.5945 223.3917 6.511328 230.1544 6.558248 -6.762711      9.241645 
1 1 1 -4  9  25 o 293.9416 5.732750 4240.682       164.9417 4174.674       230.8240 4309.554       235.7805 291.1202 8.108220 295.7791 8.151706 -4.658875      11.49755 
1 1 1 -4  9  26 o 261.3485 5.191498 3351.257       132.8064 3255.900       184.3828 3454.063       191.4496 257.1798 7.331972 264.8843 7.391230 -7.704498      10.41096 
1 1 1 -4  9  27 o 57.62339 4.312205 163.7149       24.14590 164.9611       29.94828 161.4000       40.81660 57.72782 5.361325 56.77961 7.529513 0.9482079      9.243235 
1 1 1 -4  9  28 o 83.61792 3.763127 343.3987       30.72134 347.0355       37.96506 336.5000       52.28873 83.98478 4.636236 82.47887 6.530030 1.505905       8.008494 
1 1 1 -4  9  29 o 232.7631 5.526265 2660.892       125.9076 2462.000       209.8275 2772.800       157.3923 222.8982 9.640014 237.3018 6.783006 -14.40356      11.78724 
1 1 1 -4  9  30 o 95.63569 4.838840 450.1032       45.14960 0.000000       0.000000 450.1032       45.14960 ?        ?        95.63569 4.838840 ?              ?        
1 1 1 -4  9  31 o 263.7742 6.074286 3422.727       156.8317 3343.000       265.6775 3465.367       194.2964 259.1671 10.49465 264.9532 7.499400 -5.786041      12.89878 
1 1 1 -4  9  32 o 217.7340 4.542331 2327.842       96.80798 2373.177       138.3153 2284.307       135.5412 219.3868 6.447998 215.2381 6.440726 4.148682       9.113705 
1 1 1 -4  9  33 o 136.7706 4.079383 919.1081       54.55164 911.1328       66.31554 935.8000       95.93861 136.0434 4.988474 137.4538 7.155308 -1.410431      8.722575 
1 1 1 -4  9  34 o 70.69582 4.225288 246.4185       29.10517 264.5707       35.61158 209.9000       50.51061 73.15781 5.003181 64.52979 8.180354 8.628021       9.589057 
1 1 1 -4  9  35 o 174.9799 3.932545 1504.388       67.35471 1504.438       95.19849 1504.338       95.30952 174.5495 5.579091 174.5418 5.585862 0.7690430E-02  7.894815 
1 1 1 -4  9  36 o 132.3063 3.954004 861.5429       51.14888 903.1000       87.71096 840.1284       62.96311 134.7745 6.669466 130.4448 4.940133 4.329666       8.299801 
1 1 1 -4  9  37 o 159.9114 4.340883 1260.892       67.88310 1251.027       82.87786 1281.000       118.3276 158.9833 5.333299 159.9738 7.578221 -0.9905090     9.266797 
1 1 1 -4  9  38 o 89.09210 3.406560 390.9040       29.65245 382.9315       41.54422 399.1836       42.33680 87.89679 4.847483 89.75040 4.837078 -1.853607      6.848022 
1 1 1 -4  9  39 o 98.91654 3.370043 482.0407       32.58186 468.3420       45.60851 496.3179       46.56168 97.16718 4.810301 100.0452 4.768457 -2.878075      6.773270 
1 1 1 -4  9  40 o 111.8167 3.452852 616.4990       37.74593 597.8112       52.87347 635.9215       53.90303 109.6813 4.937577 113.1502 4.878354 -3.468819      6.941038 
1 1 1 -4  9  41 o 69.14256 3.874410 236.8166       26.11659 195.9179       36.34265 280.4921       37.55612 62.31609 6.033527 74.93710 5.151429 -12.62101      7.933516 
1 1 1 -4  9  42 f 38.15015 6.279501 74.85785       22.63403 75.11912       31.69863 74.58609       32.32940 37.52291 8.786171 37.34800 8.958750 0.1749077      12.54815 
1 1 1 -4  9  43 o 20.80567 8.163701 14.21770       24.25696 5.346048       30.46635 29.58000       40.09093 20.84312 8.774288 27.42495 10.56924 -6.581833      13.73670 
1 1 1 -4  9  44 o 43.51863 6.294530 97.35300       26.03505 105.3659       32.65341 83.37000       43.13556 44.80404 7.724588 38.84537 10.90204 5.958668       13.36128 
1 1 1 -4  9  45 o 57.23812 4.541090 164.2182       25.23365 188.6969       36.20467 141.0941       35.18857 60.80236 6.168559 52.14494 7.076652 8.657413       9.387764 
1 1 1 -4  9  46 o 44.28056 6.289289 101.5103       26.49387 95.79000       43.26197 104.9431       33.51347 41.18411 10.65240 44.32763 8.019053 -3.143520      13.33338 
1 1 1 -4  9  47 o 80.14040 3.742913 320.0809       29.27966 312.7697       41.28889 327.4769       41.52754 78.45659 5.409589 80.34063 5.310524 -1.884041      7.580588 
1 1 1 -4  9  48 o 60.24671 4.270961 182.5573       25.02307 202.5729       35.69986 163.2262       35.08410 62.74684 5.881113 55.95461 6.528229 6.792236       8.786653 
1 1 1 -4  9  49 o 39.38591 6.995509 82.91027       25.98113 92.94716       32.73654 65.83000       42.70518 41.03955 8.431598 33.77946 11.13679 7.260086       13.96854 
1 1 1 -4  9  50 o 60.80417 5.193198 189.0800       30.61266 161.0000       54.73403 201.8624       36.92871 52.34878 11.03040 62.32399 6.132805 -9.975208      12.62066 
1 1 1 -4  9  51 o 32.67260 8.528750 60.05034       27.56291 137.0000       50.28923 27.00903       32.95340 48.02814 10.94227 24.68883 9.564166 23.33931       14.53295 
1 1 1 -4  9  52 o 82.08353 4.303127 340.4655       34.45300 336.6617       41.90551 348.4000       60.52266 80.95778 5.317622 80.24639 7.803681 0.7113876      9.443227 
1 1 1 -4  9  53 o 63.46899 4.824255 206.0384       29.74628 208.0513       36.56588 202.1000       51.14848 63.05429 5.996651 59.84180 9.011497 3.212486       10.82437 
1 1 1 -4  9  54 o 24.00644 7.587821 31.45265       19.95733 30.95547       22.60481 33.21000       42.49866 24.00878 8.106663 26.71748 10.70160 -2.708700      13.42543 
1 1 1 -4  9  55 o 35.28802 7.126156 68.63219       23.76563 68.63219       23.76563 0.000000       0.000000 35.28802 7.126156 ?        ?        ?              ?        
1 1 1 -4  9  56 o 48.22528 4.881264 120.1347       22.72469 118.4141       25.79459 126.1000       48.02942 47.45462 5.664959 45.00619 10.99756 2.448437       12.37085 
1 1 1 -4  9  57 o 59.01773 4.787364 179.2285       27.41848 164.0849       32.19609 219.2000       52.30760 55.69062 6.000903 61.90540 8.886827 -6.214775      10.72318 
1 1 1 -4  9  58 o 31.23862 7.104163 54.29779       21.23007 48.61573       23.77691 76.64000       47.14826 29.14816 8.062282 34.53098 11.70752 -5.382813      14.21500 
1 1 1 -4  9  59 o 36.68853 6.210666 72.64593       21.50863 71.83079       24.20110 75.71000       46.92113 35.97417 7.124964 34.17193 11.67767 1.802235       13.67966 
1 1 1 -4  9  60 o 51.69306 4.547409 137.5820       22.77496 124.5800       25.58019 187.3000       50.02140 48.64532 5.466759 56.30603 9.407681 -7.660709      10.88071 
1 1 1 -4  9  61 o 19.14310 7.356986 16.22301       19.38688 8.514970       21.61530 47.93000       43.83963 17.87650 7.448549 28.51193 11.03515 -10.63544      13.31373 
1 1 1 -4  9  62 o 19.15867 7.434925 16.09628       19.94065 20.40611       22.33205 -0.8559000     44.29062 20.69408 7.910377 21.58894 9.770418 -0.8948574     12.57120 
1 1 1 -4  10 1  o 539.2433 10.05965 14271.39       530.9747 14354.86       754.1573 14189.35       747.7073 539.8633 14.28413 536.7492 14.24420 3.114075       20.17259 
1 1 1 -4  10 2  o 472.4231 8.850844 10946.25       409.2814 11020.74       581.6887 10873.22       575.9763 473.3511 12.56566 470.1774 12.52632 3.173676       17.74273 
1 1 1 -4  10 3  o 398.8874 7.537286 7798.789       294.2873 7636.270       410.0008 7971.498       422.6579 394.2753 10.63348 402.8294 10.72873 -8.554108      15.10552 
1 1 1 -4  10 4  o 661.4524 12.29737 21494.81       796.1902 21524.23       1126.911 21465.48       1125.057 660.4050 17.44832 659.5041 17.44345 0.9009399      24.67221 
1 1 1 -4  10 5  o 218.4361 6.225025 2339.310       132.9623 2253.000       184.2968 2433.000       192.0147 214.1736 8.809958 222.5768 8.831029 -8.403168      12.47407 
1 1 1 -4  10 6  o 261.8121 5.925270 3357.488       151.8462 3437.559       189.3009 3213.000       254.2922 264.7579 7.311617 255.7096 10.18002 9.048309       12.53366 
1 1 1 -4  10 7  o 594.2784 11.07375 17333.84       644.1556 17393.21       914.7344 17275.44       907.2587 594.2278 15.74050 592.2296 15.66449 1.998291       22.20675 
1 1 1 -4  10 8  o 594.8766 11.09231 17368.99       645.8850 17159.21       908.4440 17583.43       918.4774 590.2125 15.73879 597.4736 15.71886 -7.261047      22.24392 
1 1 1 -4  10 9  o 353.5660 7.777827 6126.876       269.1752 7035.000       512.4298 5780.805       316.3335 378.0234 13.87224 343.1919 9.425695 34.83154       16.77149 
1 1 1 -4  10 10 o 149.2055 3.857603 1090.669       56.29168 1018.000       92.30735 1133.695       71.02754 143.9988 6.566223 152.0813 4.777315 -8.082458      8.120223 
1 1 1 -4  10 11 o 693.9694 14.91306 23701.25       1013.009 21520.00       1636.275 25056.84       1289.938 657.3094 25.48023 712.2362 18.51856 -54.92676      31.49888 
1 1 1 -4  10 12 o 203.4682 6.096091 2029.912       121.2730 1911.000       166.2926 2165.000       177.2425 197.2234 8.634995 209.9443 8.643454 -12.72087      12.21771 
1 1 1 -4  10 13 o 549.6337 11.86593 14842.04       638.3831 13640.00       1041.399 15565.66       807.9990 524.5847 20.31972 562.1081 14.69798 -37.52344      25.07830 
1 1 1 -4  10 14 o 208.1340 4.290401 2121.266       87.40722 2023.893       120.0612 2231.077       127.4988 203.1577 6.044302 213.3072 6.112832 -10.14948      8.596528 
1 1 1 -4  10 15 o 159.1540 3.575256 1240.189       55.69689 1191.431       76.87184 1294.071       80.81024 155.8813 5.044747 162.4613 5.087987 -6.580017      7.164990 
1 1 1 -4  10 16 o 503.8251 9.432861 12463.07       465.1890 12279.95       651.2546 12653.84       664.7047 499.1385 13.34176 506.6659 13.41477 -7.527466      18.91979 
1 1 1 -4  10 17 o 552.2652 10.31768 14991.84       557.7452 14863.18       783.5482 15123.98       794.0992 548.5110 14.60699 553.2813 14.67595 -4.770325      20.70622 
1 1 1 -4  10 18 o 265.3914 5.223424 3451.386       135.6902 3409.939       190.2648 3494.285       193.5676 263.5261 7.383408 266.7635 7.420310 -3.237457      10.46784 
1 1 1 -4  10 19 o 168.0469 5.234646 1385.392       85.99915 1547.000       131.6195 1265.000       113.6023 177.3635 7.599019 160.3896 7.254882 16.97391       10.50611 
1 1 1 -4  10 20 o 188.6748 4.625546 1744.410       85.42463 1734.783       103.4853 1765.000       151.3447 188.0130 5.629555 189.3577 8.184740 -1.344711      9.933874 
1 1 1 -4  10 21 o 290.4520 6.567168 4140.502       186.7062 3985.000       314.9047 4224.797       231.8531 283.9286 11.35378 293.0696 8.090055 -9.140991      13.94121 
1 1 1 -4  10 22 o 297.3670 6.710510 4341.621       195.3235 4010.000       320.7771 4537.025       246.2347 284.6702 11.53601 303.6181 8.293203 -18.94794      14.20763 
1 1 1 -4  10 23 o 305.1204 5.925728 4568.742       176.9780 4237.551       237.8807 4979.305       264.8561 293.3575 8.292621 317.9644 8.517587 -24.60687      11.88768 
1 1 1 -4  10 24 o 179.2744 3.881600 1574.960       68.11382 1569.114       95.97552 1580.893       96.68333 178.7429 5.492132 179.4109 5.512035 -0.6679840     7.781134 
1 1 1 -4  10 25 o 104.5784 3.095536 536.1940       31.65234 521.3146       43.99152 552.1653       45.57690 103.0249 4.372292 106.0324 4.400935 -3.007530      6.203641 
1 1 1 -4  10 26 o 274.9219 6.253515 3713.212       168.2828 3563.107       200.6660 4069.000       308.9375 268.9518 7.630136 286.4365 11.03951 -17.48477      13.41975 
1 1 1 -4  10 27 o 272.9846 6.225850 3661.818       166.3578 3626.712       202.8166 3734.000       290.8234 271.2914 7.645300 274.3376 10.85164 -3.046234      13.27436 
1 1 1 -4  10 28 o 242.3683 4.902549 2882.635       116.3065 2893.484       164.9735 2871.914       163.9953 242.3972 6.960337 241.4946 6.944952 0.9026489      9.832530 
1 1 1 -4  10 29 o 123.4229 3.836162 747.5901       46.28829 762.7000       77.27319 739.1339       57.80739 124.3677 6.368890 122.6237 4.825601 1.743958       7.990568 
1 1 1 -4  10 30 o 215.2276 6.378898 2281.322       134.2364 0.000000       0.000000 2281.322       134.2364 ?        ?        215.2276 6.378898 ?              ?        
1 1 1 -4  10 31 o 354.3261 7.921412 6202.829       274.7337 6311.000       483.1028 6151.125       334.0005 353.6465 13.98367 351.8893 9.706214 1.757111       17.02215 
1 1 1 -4  10 32 o 71.65495 4.321166 252.9953       30.16689 261.1000       56.40517 249.7484       35.70202 72.19541 8.122615 71.08839 5.166087 1.107018       9.626284 
1 1 1 -4  10 33 o 44.93890 4.807431 100.4083       20.81849 99.54457       28.81686 101.3513       30.10924 44.38962 6.852586 44.74854 7.111776 -0.3589172     9.875996 
1 1 1 -4  10 34 o 67.13878 4.261475 222.4321       27.86073 216.5000       33.15030 236.7000       51.41215 66.10569 5.164166 68.63461 7.790380 -2.528923      9.346584 
1 1 1 -4  10 35 o 98.67197 3.872678 479.2201       37.33078 432.4356       44.11586 597.2000       70.05640 93.57233 4.832983 109.6197 6.559091 -16.04737      8.147355 
1 1 1 -4  10 36 f 97.81180 3.877158 471.2897       37.04671 445.0666       44.23363 532.9000       67.80129 94.88587 4.777985 103.3637 6.738104 -8.477783      8.260217 
1 1 1 -4  10 37 o 85.42004 3.812784 359.8131       31.79892 305.4000       50.75616 394.9698       40.79826 78.04591 6.709087 89.33749 4.681878 -11.29158      8.181188 
1 1 1 -4  10 38 o 79.01468 3.991401 308.4753       30.77021 296.2037       37.39602 334.2000       54.14416 77.21997 4.973999 81.52522 6.848299 -4.305252      8.464033 
1 1 1 -4  10 39 o 104.4967 3.361008 538.1000       34.33309 517.4080       47.94204 559.8837       49.19067 102.0989 4.810747 106.2363 4.742419 -4.137383      6.755281 
1 1 1 -4  10 40 o 67.53708 3.810503 225.7900       25.08798 186.5146       34.97385 267.4230       36.00828 60.84681 5.948059 73.21835 5.055342 -12.37154      7.806144 
1 1 1 -4  10 41 o 28.06551 7.501022 41.31566       21.00107 67.10906       29.13836 13.43317       30.29540 35.54925 8.490893 22.33644 9.004581 13.21280       12.37650 
1 1 1 -4  10 42 o 55.75717 4.981528 155.9352       26.90143 179.9925       33.50633 112.3000       45.12556 59.68714 5.808468 45.43055 10.37602 14.25659       11.89118 
1 1 1 -4  10 43 o 34.89849 6.847810 63.63158       22.55605 66.04211       31.33893 61.04067       32.49037 35.02449 9.070110 33.68000 9.464974 1.344494       13.10926 
1 1 1 -4  10 44 o 27.90828 8.226343 41.07576       23.99691 30.09000       39.59784 47.45206       30.16761 27.28104 10.50659 29.97443 9.308156 -2.693388      14.03674 
1 1 1 -4  10 45 o 54.60762 5.289459 151.0396       27.91930 132.6000       45.87809 161.8849       35.18446 49.16045 9.877319 56.07238 6.532770 -6.911926      11.84223 
1 1 1 -4  10 46 o 67.21032 4.055593 225.7230       26.55651 235.2461       38.16897 216.7874       36.97275 67.90471 5.797959 65.13946 5.861326 2.765251       8.244481 
1 1 1 -4  10 47 o 47.96357 5.158383 117.4297       23.83739 109.7341       33.43142 125.3884       33.99804 45.17578 7.844813 48.59187 7.379722 -3.416096      10.77039 
1 1 1 -4  10 48 o 40.29509 5.989758 84.67884       22.90730 41.50193       32.55136 127.0402       32.24248 28.05606 9.721099 49.06856 6.903664 -21.01250      11.92310 
1 1 1 -4  10 49 o 43.28343 6.758813 99.31612       27.69956 95.10000       51.21968 101.0589       32.93052 39.54945 12.10181 42.97661 8.125788 -3.427158      14.57677 
1 1 1 -4  10 50 o 23.98278 8.443951 29.01828       24.61757 9.139214       30.19438 68.43000       42.51487 20.82769 8.749442 34.16598 11.10295 -13.33829      14.13606 
1 1 1 -4  10 51 o 17.16380 7.373452 1.977011       22.28339 -13.88773      26.20543 43.40000       42.34436 16.03678 7.356173 28.92555 10.93100 -12.88878      13.17574 
1 1 1 -4  10 52 o 54.11309 5.119425 150.6221       26.79386 146.5102       31.66007 161.0000       50.29733 52.74972 6.253263 52.54846 10.14606 0.2012596      11.91830 
1 1 1 -4  10 53 o 23.99718 8.162730 30.62817       22.92151 36.46220       27.03700 15.72000       43.22014 25.88874 8.863970 24.27917 10.34540 1.609577       13.62341 
1 1 1 -4  10 54 o 45.66359 7.604694 115.0504       32.79567 115.0504       32.79567 0.000000       0.000000 45.66359 7.604694 ?        ?        ?              ?        
1 1 1 -4  10 55 f 33.93823 7.939624 65.14651       25.90355 49.22861       31.49288 98.44000       45.54587 29.12187 9.561850 39.53463 11.23963 -10.41276      14.75663 
1 1 1 -4  10 56 o 25.24844 7.942225 35.56212       21.88972 45.63059       25.35982 6.138000       43.35269 28.19544 8.492436 22.79129 10.02933 5.404158       13.14188 
1 1 1 -4  10 57 o 50.92772 4.581155 133.1744       22.59300 132.1630       25.40454 137.0000       49.40875 50.38334 5.227181 46.91516 10.95841 3.468185       12.14126 
1 1 1 -4  10 58 o 58.67521 4.271649 175.5460       24.36528 194.5863       27.65997 109.6000       51.47649 61.58223 4.622438 40.70300 12.06166 20.87923       12.91706 
1 1 1 -4  10 59 o 23.82535 7.596989 31.42224       19.96816 27.36852       22.26958 48.05000       45.10260 22.77111 8.029995 29.01220 11.20260 -6.241083      13.78329 
1 1 1 -4  10 60 o 34.43787 6.358528 64.74388       20.64439 59.81543       22.96705 85.48000       47.11010 32.51556 7.385073 35.81657 11.69095 -3.301014      13.82814 
1 1 1 -4  10 61 o 14.52111 6.493973 -4.137530      18.91997 -3.568316      21.05919 -6.520000      43.08416 15.40072 6.871781 20.82696 9.507636 -5.426245      11.73101 
1 1 1 -4  11 1  o 175.9022 3.762220 1514.829       64.77712 1653.000       136.8539 1474.935       73.53641 183.4957 7.636165 173.5611 4.328563 9.934586       8.777669 
1 1 1 -4  11 2  f 310.2334 6.900604 4715.632       209.5472 4663.000       360.5749 4742.472       257.4928 307.9190 11.98625 310.9123 8.468876 -2.993286      14.67624 
1 1 1 -4  11 3  o 604.9913 15.97954 18032.82       945.4515 18200.00       1345.979 17870.00       1328.336 605.7410 22.74139 600.2492 22.64905 5.491760       32.09595 
1 1 1 -4  11 4  o 423.7280 9.229863 8804.659       382.8148 8547.107       459.8611 9386.000       690.8903 417.1305 11.27319 436.2981 16.20597 -19.16760      19.74128 
1 1 1 -4  11 5  o 345.5467 9.339360 5859.892       315.5961 5526.000       429.1835 6253.000       465.6888 335.0956 13.11012 356.4505 13.37091 -21.35486      18.72583 
1 1 1 -4  11 6  o 415.0815 7.821449 8444.398       317.7802 8309.757       444.6183 8585.002       454.3579 411.3166 11.05347 418.0699 11.11292 -6.753326      15.67406 
1 1 1 -4  11 7  o 595.4372 11.07767 17402.92       645.6400 17779.20       927.0548 17048.52       899.7048 600.7319 15.77955 588.2842 15.63839 12.44769       22.21606 
1 1 1 -4  11 8  o 192.4816 4.622325 1814.185       87.08754 1785.000       148.6885 1829.425       107.4459 190.6621 7.984895 193.1790 5.688490 -2.516846      9.803952 
1 1 1 -4  11 9  o 148.1695 3.894276 1075.619       56.43066 1050.000       94.45563 1089.838       70.36938 146.2434 6.615631 149.1039 4.827934 -2.860504      8.189965 
1 1 1 -4  11 10 o 104.8257 3.006919 538.3565       30.82101 521.8165       43.66379 554.7814       43.51160 103.1415 4.334620 106.3626 4.187543 -3.221161      6.026977 
1 1 1 -4  11 11 o 448.7360 9.759492 9880.218       428.6713 9987.902       529.3237 9675.000       730.7216 450.7218 12.00864 442.6114 16.89746 8.110413       20.72997 
1 1 1 -4  11 12 o 336.2766 7.451449 5543.048       245.2695 5178.000       407.2824 5750.765       307.2252 324.2634 12.85740 342.2590 9.178844 -17.99557      15.79760 
1 1 1 -4  11 13 o 399.3979 8.730925 7824.922       341.3283 8957.000       648.8650 7391.806       401.3453 425.9735 15.58829 387.8369 10.58203 38.13660       18.84076 
1 1 1 -4  11 14 o 412.8802 7.810963 8359.756       315.6711 8337.095       447.3331 8382.233       445.5252 411.7516 11.10930 412.8788 11.03400 -1.127167      15.65776 
1 1 1 -4  11 15 o 329.1269 6.322163 5309.378       203.6739 5199.126       284.2549 5425.701       291.9770 325.3312 8.934851 332.3430 8.983682 -7.011780      12.67036 
1 1 1 -4  11 16 f 100.7499 2.954227 497.3875       29.10217 469.6010       39.21876 531.4359       43.41354 97.83494 4.104492 104.0780 4.270546 -6.243080      5.923210 
1 1 1 -4  11 17 o 36.83379 3.926899 67.20072       13.93995 77.08480       17.35961 49.25600       23.39054 39.40252 4.586652 31.07282 7.723802 8.329699       8.983011 
1 1 1 -4  11 18 o 126.4034 3.582268 783.1243       44.27767 704.5000       69.18114 837.6785       57.62666 119.7238 5.921761 130.6813 4.511860 -10.95756      7.444739 
1 1 1 -4  11 19 o 193.2278 5.755947 1832.472       108.7447 1974.000       163.0177 1719.000       145.9676 200.2562 8.334758 186.8953 7.997552 13.36092       11.55115 
1 1 1 -4  11 20 o 179.5077 3.850357 1578.562       67.65350 1537.721       93.79579 1622.850       97.67509 177.0042 5.420080 181.8351 5.494121 -4.830994      7.717683 
1 1 1 -4  11 21 o 408.5717 7.738145 8204.383       309.4648 7855.601       424.3409 8600.629       452.2940 398.8287 10.87998 417.2553 11.08403 -18.42667      15.53157 
1 1 1 -4  11 22 o 343.4724 6.585998 5792.842       221.4214 5511.656       302.2825 6118.384       325.2520 334.3740 9.244668 352.2567 9.441613 -17.88272      13.21393 
1 1 1 -4  11 23 o 234.2791 5.482362 2693.017       125.7209 2540.000       211.4976 2776.630       156.3409 226.7492 9.550521 237.6428 6.727892 -10.89359      11.68234 
1 1 1 -4  11 24 o 253.2867 5.042551 3147.010       125.0169 2978.449       170.4794 3343.114       183.8815 246.0347 7.086343 260.6481 7.214316 -14.61348      10.11250 
1 1 1 -4  11 25 o 286.4808 6.475179 4032.936       181.5740 3898.497       217.6159 4341.000       329.4202 281.2771 7.911917 295.7614 11.40030 -14.48431      13.87679 
1 1 1 -4  11 26 o 194.0974 4.736097 1848.036       89.98012 1733.844       106.3347 2136.000       168.8593 187.8104 5.791199 208.0162 8.309916 -20.20573      10.12881 
1 1 1 -4  11 27 o 112.3735 3.228986 619.2296       35.48018 633.3439       50.14021 605.0741       50.21296 113.5429 4.520525 110.9651 4.633188 2.577812       6.473143 
1 1 1 -4  11 28 o 332.2845 7.427870 5439.069       241.5909 6332.000       462.4557 5103.911       283.3262 355.7513 13.30403 321.2674 9.018699 34.48395       16.07278 
1 1 1 -4  11 29 o 187.0121 4.647122 1716.469       85.06681 1810.000       148.7860 1671.048       103.6850 191.3599 7.960759 184.2948 5.754785 7.065155       9.822995 
1 1 1 -4  11 30 o 191.2628 4.123563 1794.717       77.19862 1739.943       107.3597 1853.358       111.0863 188.0022 5.841162 194.0356 5.855584 -6.033417      8.270855 
1 1 1 -4  11 31 o 202.6727 4.300318 2016.368       85.31042 2029.961       121.3791 2003.098       119.9283 202.9536 6.116979 201.6125 6.084085 1.341049       8.627485 
1 1 1 -4  11 32 f 75.41179 4.186584 280.0865       30.78204 275.7000       57.92746 281.8125       36.33696 74.17697 8.110295 75.55176 4.940684 -1.374786      9.496696 
1 1 1 -4  11 33 o 171.5591 4.521802 1447.937       75.86698 1577.000       141.2940 1395.653       89.93052 178.0387 8.129251 168.2297 5.468593 9.808945       9.797461 
1 1 1 -4  11 34 o 152.7524 4.275153 1148.201       63.85848 1273.000       119.8123 1098.681       75.47186 159.8984 7.677537 149.2303 5.174634 10.66814       9.258586 
1 1 1 -4  11 35 o 48.27365 4.508936 115.7358       21.05897 100.3649       28.79707 133.4052       30.87516 44.47786 6.832716 51.54111 6.247351 -7.063251      9.258262 
1 1 1 -4  11 36 o 27.77313 7.900745 39.59216       22.49817 42.86621       26.31607 30.70000       43.36929 28.99368 8.632133 28.81155 11.02106 0.1821384      13.99920 
1 1 1 -4  11 37 o 32.38841 7.427732 54.53434       23.04530 62.62502       27.23174 34.12000       43.25644 34.62534 8.167947 29.31036 11.05437 5.314987       13.74462 
1 1 1 -4  11 38 o 57.28379 4.008315 162.6035       22.33318 168.8078       31.74955 156.5269       31.42078 58.02391 5.662118 55.81093 5.837894 2.212982       8.132687 
1 1 1 -4  11 39 o 60.78161 4.463799 183.7338       26.37201 176.6742       33.35824 195.5000       43.06535 59.26418 5.825704 61.93509 7.240154 -2.670906      9.292936 
1 1 1 -4  11 40 o 78.37111 3.501135 303.4055       26.79004 269.8167       37.38229 338.8708       38.41236 73.47050 5.232369 82.51381 4.776374 -9.043312      7.084591 
1 1 1 -4  11 41 o 50.74936 5.073834 129.4022       24.86666 114.2555       31.02763 156.6000       41.57746 47.11968 6.934470 54.92879 7.965175 -7.809109      10.56082 
1 1 1 -4  11 42 o 27.76615 7.460196 40.57560       20.70595 46.57819       28.79850 34.15170       29.79202 29.79537 9.065995 26.68254 9.296789 3.112839       12.98547 
1 1 1 -4  11 43 o 81.66190 4.033823 331.3258       32.14373 290.7000       52.50132 355.6852       40.65393 75.24057 7.217116 84.30459 4.948334 -9.064018      8.750587 
1 1 1 -4  11 44 o 66.20409 4.511333 219.2012       29.05985 220.6000       48.28941 218.4070       36.38585 65.10928 7.727633 65.66226 5.718200 -0.5529861     9.613226 
1 1 1 -4  11 45 o 96.39413 3.493424 460.8036       32.90707 473.0821       47.74667 449.6945       45.41600 96.98625 5.046885 94.61529 4.920807 2.370964       7.048787 
1 1 1 -4  11 46 o 23.54618 7.849985 28.10139       21.20192 46.73918       31.85726 13.28245       28.40663 29.49631 9.612901 21.40293 8.686424 8.093372       12.95615 
1 1 1 -4  11 47 o 39.85089 5.831250 82.50170       22.07293 84.80611       32.99524 80.63506       29.69638 39.10051 8.830516 38.41259 8.150772 0.6879120      12.01720 
1 1 1 -4  11 48 o 33.10481 9.587566 62.08866       32.84809 83.98000       49.09777 44.35000       44.19630 37.50624 11.90714 29.65618 11.17623 7.850058       16.33058 
1 1 1 -4  11 49 o 26.16238 7.469798 37.21526       20.07448 46.74429       22.63239 2.063000       43.46932 29.14596 7.785612 22.95684 10.07444 6.189112       12.73224 
1 1 1 -4  11 50 o 30.16987 6.999456 49.47501       20.26946 33.55114       22.66089 113.2000       45.33229 25.03545 8.103691 43.77550 10.67666 -18.74005      13.40376 
1 1 1 -4  11 51 o 12.07960 5.752227 -21.75468      18.71878 -19.02340      21.05801 -32.04000      40.86422 13.41759 6.301959 18.54030 8.730064 -5.122705      10.76702 
1 1 1 -4  11 52 o 57.19079 4.143492 165.4411       23.03794 155.8268       26.01370 200.4000       49.60445 55.15784 4.868157 59.92347 8.712029 -4.765625      9.979899 
1 1 1 -4  11 53 o 53.95100 5.021885 150.1156       26.21540 150.1156       26.21540 0.000000       0.000000 53.95100 5.021885 ?        ?        ?              ?        
1 1 1 -4  11 54 o 47.54594 5.630426 118.6333       25.69564 131.7443       30.51948 86.71000       47.62264 49.64703 6.431231 36.76127 11.73334 12.88575       13.38028 
1 1 1 -4  11 55 o 19.72371 8.025328 12.80018       24.31988 19.12000       29.62108 -0.2716000     42.60062 22.15326 8.913261 21.93222 9.780710 0.2210369      13.23286 
1 1 1 -4  11 56 o 35.34567 7.529484 69.92956       25.25180 79.34132       30.49566 49.40000       45.03938 37.06424 8.576002 29.46771 11.24126 7.596525       14.13908 
1 1 1 -4  11 57 f 26.28438 8.608938 39.07405       25.53532 56.34997       31.09608 3.303000       44.74566 30.79219 9.430793 22.65662 10.06869 8.135576       13.79559 
1 1 1 -4  11 58 o 43.27422 5.336326 98.26729       22.12535 98.17194       24.86397 98.63000       48.49478 42.82605 6.103948 38.70376 11.76219 4.122284       13.25169 
1 1 1 -4  11 59 o 37.56662 5.898837 75.50711       20.97685 76.46574       23.54640 71.82000       46.17883 37.38047 6.680579 33.37902 11.57780 4.001457       13.36696 
1 1 1 -4  11 60 o 45.25745 5.006896 107.0095       21.80969 92.87803       24.17532 168.8000       50.55222 41.48917 6.137906 52.40093 10.22308 -10.91176      11.92415 
1 1 1 -4  11 61 o 22.23753 7.527091 27.17902       19.48853 34.52383       21.67884 -3.758000      44.49232 24.55496 7.924298 21.31389 9.703614 3.241066       12.52815 
1 1 1 -4  12 1  o 853.3343 15.81703 35850.66       1321.145 36520.00       2677.315 35635.21       1518.960 852.8369 32.12954 849.9290 18.25818 2.907898       36.95496 
1 1 1 -4  12 2  o 489.0109 9.152508 11726.89       438.0915 12040.00       892.8478 11627.60       502.7751 493.6346 18.51125 486.7761 10.55208 6.858521       21.30758 
1 1 1 -4  12 3  o 990.8687 21.27653 48575.44       2063.589 51270.00       3717.748 47375.58       2480.849 1005.690 37.83420 975.6348 26.00124 30.05536       45.90742 
1 1 1 -4  12 4  o 595.2224 15.75257 17455.96       916.9695 16290.00       1232.781 18900.00       1371.932 573.1556 22.01484 617.1581 22.74961 -44.00244      31.65751 
1 1 1 -4  12 5  o 300.9515 8.239192 4443.422       242.4815 4589.000       351.3343 4311.000       335.0838 305.4662 11.77240 296.0783 11.58456 9.387878       16.51639 
1 1 1 -4  12 6  o 362.2303 9.756959 6441.554       345.6287 6329.000       483.6760 6559.000       494.0756 358.4924 13.80961 364.9500 13.85618 -6.457550      19.56269 
1 1 1 -4  12 7  o 94.09106 3.857286 434.1758       35.44986 445.4000       53.51619 425.4000       47.32087 95.18280 5.771198 93.05305 5.216243 2.129745       7.779198 
1 1 1 -4  12 8  o 121.5865 4.197746 724.7075       49.88337 708.7000       71.60689 739.8000       69.53040 120.1220 6.110191 122.7567 5.803024 -2.634697      8.426715 
1 1 1 -4  12 9  o 344.1371 7.609661 5805.191       256.3321 5749.130       311.8356 5922.000       450.1222 342.2124 9.318115 346.7787 13.28544 -4.566254      16.22745 
1 1 1 -4  12 10 o 212.3214 5.062230 2207.883       105.2063 1956.000       171.5570 2359.702       133.1905 199.5054 8.806816 219.3727 6.209002 -19.86722      10.77551 
1 1 1 -4  12 11 o 301.9499 6.754374 4468.165       199.6302 5030.000       372.7263 4242.166       236.3955 319.6976 11.93183 294.0053 8.222513 25.69229       14.49063 
1 1 1 -4  12 12 o 289.5032 5.646477 4106.003       160.0063 4057.743       225.7530 4154.719       226.8170 287.5381 8.028922 290.9621 7.971542 -3.424011      11.31411 
1 1 1 -4  12 13 o 162.1124 3.628346 1286.788       57.57464 1252.534       80.48737 1322.682       82.39169 159.8204 5.151778 164.2405 5.131331 -4.420120      7.271270 
1 1 1 -4  12 14 o 206.6340 4.267751 2091.154       86.31913 2244.819       127.1008 1959.604       117.5995 213.9283 6.075947 199.8692 6.017945 14.05905       8.551771 
1 1 1 -4  12 15 o 107.1018 3.032235 562.0670       31.75618 557.4107       44.15981 567.0538       45.69982 106.5957 4.240812 107.5086 4.351746 -0.9129181     6.076362 
1 1 1 -4  12 16 o 107.7955 3.377133 569.5579       35.58927 571.9000       56.85850 568.0492       45.63419 107.8899 5.401219 107.5991 4.341785 0.2908020      6.929955 
1 1 1 -4  12 17 o 66.66260 3.256955 218.1312       21.18769 241.2000       31.04899 198.0271       28.98520 70.01622 4.555192 63.39906 4.704277 6.617161       6.548282 
1 1 1 -4  12 18 f 299.4041 5.816206 4396.019       170.4527 4172.126       232.8155 4654.678       250.2395 291.2835 8.173713 307.6549 8.317337 -16.37143      11.66138 
1 1 1 -4  12 19 o 306.1914 5.925751 4598.968       177.5998 4431.604       244.7486 4785.106       258.1121 300.1165 8.339602 311.8410 8.463902 -11.72452      11.88220 
1 1 1 -4  12 20 o 140.1737 3.309354 962.3787       45.40629 944.5166       63.12207 981.5328       65.36504 138.7365 4.654785 141.4261 4.728472 -2.689575      6.635170 
1 1 1 -4  12 21 o 165.9097 4.317749 1349.981       70.05936 1248.000       118.0226 1405.468       87.05696 159.1591 7.597719 169.2027 5.262820 -10.04352      9.242435 
1 1 1 -4  12 22 o 192.7849 4.060969 1821.464       76.63176 1752.422       105.5848 1898.316       111.3959 188.8823 5.717471 196.5849 5.795454 -7.702576      8.141053 
1 1 1 -4  12 23 o 157.8984 4.192691 1222.979       64.74291 1165.000       112.0239 1252.057       79.33398 153.7236 7.467327 159.6814 5.082205 -5.957748      9.032706 
1 1 1 -4  12 24 o 91.97240 3.347851 414.9830       30.08878 378.1203       36.08435 499.1000       54.50891 87.72227 4.214784 100.6845 5.552434 -12.96222      6.970934 
1 1 1 -4  12 25 o 173.3396 3.811721 1472.695       64.67332 1412.455       88.84155 1540.606       94.32863 169.5514 5.359874 177.0720 5.448845 -7.520660      7.643178 
1 1 1 -4  12 26 o 250.6900 5.015896 3084.037       123.0812 2993.548       170.5980 3182.271       177.7483 246.5571 7.076195 254.1999 7.150816 -7.642807      10.06015 
1 1 1 -4  12 27 o 178.7015 4.476656 1567.506       78.24313 1498.000       128.6856 1608.272       98.55247 174.2147 7.564413 180.8668 5.573411 -6.652054      9.395917 
1 1 1 -4  12 28 o 144.7417 3.502926 1026.942       49.62847 1072.442       71.46130 984.5526       68.97522 147.7160 4.949381 141.5221 4.987031 6.193924       7.026155 
1 1 1 -4  12 29 o 181.8970 3.979748 1622.833       70.85774 1704.771       102.9821 1549.164       97.64662 186.1409 5.658721 177.4393 5.629256 8.701614       7.981833 
1 1 1 -4  12 30 o 195.0998 4.172116 1867.983       79.67451 1914.583       114.2500 1823.864       111.1668 197.1581 5.926915 192.4299 5.908964 4.728210       8.369240 
1 1 1 -4  12 31 o 250.8145 5.050543 3092.723       123.9929 3133.978       176.8940 3052.875       173.8505 251.8029 7.184399 248.5311 7.153872 3.271713       10.13871 
1 1 1 -4  12 32 o 188.0774 4.083948 1737.162       75.18359 1774.669       107.8199 1701.664       104.8919 189.6765 5.814232 185.7399 5.776417 3.936584       8.195870 
1 1 1 -4  12 33 o 122.4396 3.346513 736.2397       40.06944 773.0547       57.57623 701.6622       55.79905 125.2577 4.704408 119.3108 4.787664 5.946907       6.712166 
1 1 1 -4  12 34 o 63.05780 5.678934 197.9403       34.67678 248.3000       56.38129 167.3000       43.97842 70.05849 8.388375 57.41272 8.046330 12.64577       11.62361 
1 1 1 -4  12 35 o 46.14972 5.838829 107.0486       25.78614 64.75000       49.15854 123.1053       30.28748 36.13107 11.95021 49.41639 6.412696 -13.28532      13.56209 
1 1 1 -4  12 36 f 83.71529 5.340107 348.1836       43.53022 268.2000       60.18898 435.9000       63.03139 72.50510 8.651399 93.25037 6.955684 -20.74527      11.10082 
1 1 1 -4  12 37 o 85.21799 3.377259 357.7791       28.11518 312.2274       38.72913 408.5304       40.87974 79.27500 5.016820 90.81932 4.613695 -11.54432      6.815765 
1 1 1 -4  12 38 o 61.55742 4.707651 188.6546       28.15033 209.8772       33.94321 141.9000       50.38086 64.77889 5.402334 51.62859 10.33033 13.15030       11.65766 
1 1 1 -4  12 39 o 54.48922 5.126352 148.7476       27.02046 128.5487       31.78354 201.4000       51.31544 50.21915 6.627485 62.30732 8.646731 -12.08817      10.89447 
1 1 1 -4  12 40 o 37.11375 8.455727 73.06158       30.03020 73.06158       30.03020 0.000000       0.000000 37.11375 8.455727 ?        ?        ?              ?        
1 1 1 -4  12 41 o 68.18620 3.793717 230.5118       25.22041 229.3907       34.79846 231.7523       36.60410 67.60905 5.300697 67.87544 5.558117 -0.2663879     7.680499 
1 1 1 -4  12 42 o 50.51023 5.121313 128.5226       24.97061 136.9000       39.46508 122.9297       32.24614 51.09403 8.165878 48.81489 6.944337 2.279140       10.71939 
1 1 1 -4  12 43 o 20.88822 7.853617 17.49672       21.79605 26.81000       34.93230 11.55946       27.89132 25.80907 9.886495 21.17023 8.601639 4.638842       13.10462 
1 1 1 -4  12 44 o 16.65462 7.050226 2.324650       19.84873 6.228229       28.89631 -1.162460      27.31139 20.37748 8.559748 18.62557 8.082521 1.751907       11.77270 
1 1 1 -4  12 45 o 77.03915 3.627451 295.1126       27.27708 328.6567       40.05552 266.1053       37.24849 80.70372 5.096669 72.50439 5.284825 8.199333       7.342031 
1 1 1 -4  12 46 o 55.24016 4.489508 153.8784       24.06595 145.9739       27.52905 179.5000       49.56299 53.47279 5.330534 57.25397 9.151982 -3.781185      10.59119 
1 1 1 -4  12 47 o 93.25473 5.275315 442.1787       47.95686 478.8000       71.87965 412.8000       64.38078 94.99770 7.798729 88.42189 7.509553 6.575813       10.82652 
1 1 1 -4  12 48 o 49.46655 4.520006 124.0707       21.64394 116.8431       24.21390 152.8000       48.27598 47.69526 5.274639 51.91634 9.860405 -4.221077      11.18255 
1 1 1 -4  12 49 o 44.67903 4.884125 102.1377       21.01224 110.7264       23.60813 69.40000       46.09184 46.36773 5.296529 34.34588 11.57586 12.02185       12.73004 
1 1 1 -4  12 50 o 58.99301 4.042926 175.3815       23.20433 164.0430       26.14836 217.4000       50.33697 56.73438 4.752226 62.95030 8.377011 -6.215923      9.631094 
1 1 1 -4  12 51 o 68.11732 3.710895 232.8657       24.64898 223.1374       27.69010 270.0000       54.09961 66.40250 4.283082 70.35885 7.997149 -3.956345      9.071890 
1 1 1 -4  12 52 o 22.13939 7.689424 25.08503       20.37257 25.08503       20.37257 0.000000       0.000000 22.13939 7.689424 ?        ?        ?              ?        
1 1 1 -4  12 53 o 44.11352 4.856029 100.4413       20.62168 93.23251       23.03013 129.6000       46.31810 42.05914 5.744028 46.31466 10.46453 -4.255512      11.93735 
1 1 1 -4  12 54 o 61.57610 4.333544 193.1157       25.95251 179.2882       29.87891 235.6000       52.37298 58.78980 5.247363 64.73569 8.468096 -5.945885      9.962102 
1 1 1 -4  12 55 o 37.15848 5.572213 72.97061       19.64297 68.30504       21.78870 93.22000       45.39256 35.46690 6.516332 38.22934 11.32593 -2.762440      13.06673 
1 1 1 -4  12 56 o 60.36254 4.639797 187.0033       27.20382 188.1208       32.34143 184.3000       50.30199 59.93742 5.576555 56.08625 9.501537 3.851166       11.01713 
1 1 1 -4  12 57 o 46.38336 5.643188 113.3940       25.09419 97.80501       29.13436 158.2000       49.39294 42.02887 7.349396 51.19551 10.21481 -9.166637      12.58395 
1 1 1 -4  12 58 f 29.77718 7.702599 50.56032       22.61838 39.39590       25.80783 87.54000       46.96938 26.28482 8.657175 36.50500 11.65270 -10.22018      14.51661 
1 1 1 -4  12 59 o 31.67667 8.380562 58.66820       26.38273 57.44469       32.13125 61.20000       46.22100 30.77448 9.614125 31.20141 11.49308 -0.4269352     14.98407 
1 1 1 -4  12 60 f 24.22443 8.744392 32.19382       26.56133 13.40266       32.80342 67.97000       45.26258 21.36542 9.054804 32.18915 11.43881 -10.82373      14.58889 
1 1 1 -4  12 61 o 14.47186 6.622794 -9.294662      21.07455 -9.294662      21.07455 0.000000       0.000000 14.47186 6.622794 ?        ?        ?              ?        
1 1 1 -4  13 1  o 375.9426 7.140401 6926.009       262.7546 7178.000       538.3435 6847.207       301.0482 381.6887 14.43535 373.7182 8.229732 7.970490       16.61649 
1 1 1 -4  13 2  o 331.5378 7.352737 5386.941       238.6098 5935.000       441.3920 5160.652       283.6238 347.2438 13.00925 324.2697 8.944274 22.97406       15.78736 
1 1 1 -4  13 3  o 1110.933 23.98660 61296.75       2608.331 53010.00       4057.994 67130.62       3404.846 1018.441 40.78953 1157.411 30.07960 -138.9695      50.68104 
1 1 1 -4  13 4  o 648.7701 17.14498 20771.09       1087.810 20060.00       1499.982 21560.00       1579.922 634.9711 24.17798 658.1414 24.56819 -23.17029      34.46986 
1 1 1 -4  13 5  o 723.3997 13.43524 25733.62       951.3273 23610.00       1788.900 26571.01       1123.341 687.6570 26.62744 734.4604 15.62561 -46.80341      30.87361 
1 1 1 -4  13 6  o 194.9273 5.714153 1862.845       108.9085 0.000000       0.000000 1862.845       108.9085 ?        ?        194.9273 5.714153 ?              ?        
1 1 1 -4  13 7  o 74.75874 3.980316 274.4218       29.02134 274.3000       46.40199 274.5000       37.19360 74.54654 6.421741 74.68965 5.118406 -0.1431122     8.211993 
1 1 1 -4  13 8  o 486.0457 10.52827 11598.69       500.8877 11534.56       611.0788 11730.00       874.4170 484.1454 12.90633 486.8755 18.38125 -2.730072      22.45983 
1 1 1 -4  13 9  o 206.2433 4.939454 2083.303       99.71603 1966.000       168.9240 2146.039       123.5358 200.0168 8.648611 209.2011 6.039173 -9.184311      10.54846 
1 1 1 -4  13 10 o 208.2248 4.295765 2123.216       87.55464 1992.837       119.5768 2273.901       128.5517 201.5810 6.067164 215.3368 6.105086 -13.75587      8.607122 
1 1 1 -4  13 11 o 676.7761 12.61516 22538.42       835.6875 22446.49       1183.027 22629.98       1180.658 673.2919 17.96690 676.0881 17.85644 -2.796204      25.33105 
1 1 1 -4  13 12 o 272.5624 7.643025 3646.691       203.7082 3412.000       275.6712 3929.000       302.3469 263.2549 10.72058 282.4912 10.95515 -19.23630      15.32795 
1 1 1 -4  13 13 o 229.2305 4.636269 2573.986       104.0273 2627.308       149.2592 2523.619       145.0641 231.3942 6.596687 226.7833 6.541791 4.610870       9.290388 
1 1 1 -4  13 14 o 103.9297 2.976146 529.2795       30.24494 538.9161       42.88261 519.7411       42.66383 104.8105 4.188375 102.9226 4.244001 1.887894       5.962721 
1 1 1 -4  13 15 o 344.0521 6.592534 5805.760       222.0153 5836.109       315.9175 5776.145       312.0717 344.4455 9.378888 342.6824 9.312348 1.763153       13.21678 
1 1 1 -4  13 16 o 54.79600 4.831394 148.2787       25.64845 0.000000       0.000000 148.2787       25.64845 ?        ?        54.79600 4.831394 ?              ?        
1 1 1 -4  13 17 o 147.0868 3.413014 1059.573       49.13804 1125.620       71.43661 1000.259       67.69743 151.4717 4.824332 142.7770 4.851086 8.694733       6.841579 
1 1 1 -4  13 18 o 195.0470 4.688594 1864.629       89.51341 1983.000       157.8907 1808.563       108.6639 200.6965 8.053662 191.9316 5.790679 8.764877       9.919347 
1 1 1 -4  13 19 o 168.1337 4.333464 1386.299       71.25806 1511.000       131.0667 1333.972       84.90239 175.1754 7.662397 164.8479 5.268515 10.32750       9.298902 
1 1 1 -4  13 20 o 212.5086 5.076740 2214.556       105.6009 2249.000       186.6840 2198.349       128.0579 213.5271 8.951840 211.5381 6.191258 1.988953       10.88426 
1 1 1 -4  13 21 f 226.1133 5.341558 2508.239       118.2225 2538.000       207.4765 2493.930       143.8624 226.6990 9.370231 225.2404 6.532114 1.458603       11.42234 
1 1 1 -4  13 22 o 320.0728 7.170444 5036.997       224.6472 4893.000       382.5598 5112.785       277.5388 313.7692 12.48102 321.9765 8.814590 -8.207275      15.27982 
1 1 1 -4  13 23 o 288.0789 8.014028 4089.695       225.7597 3860.000       309.7443 4350.000       329.7376 278.8935 11.37025 296.0830 11.39885 -17.18945      16.10020 
1 1 1 -4  13 24 o 169.2998 4.398721 1406.472       72.83179 1322.000       125.1327 1449.749       89.56607 163.6607 7.833987 171.7813 5.333199 -8.120590      9.477044 
1 1 1 -4  13 25 o 179.1348 3.883754 1573.026       68.09854 1474.054       92.51765 1690.048       100.6011 173.1860 5.464488 185.4410 5.548552 -12.25502      7.787622 
1 1 1 -4  13 26 o 67.30184 3.441303 222.5605       22.59498 174.5000       30.84623 278.2043       33.19066 59.37434 5.365427 75.17123 4.531894 -15.79689      7.023238 
1 1 1 -4  13 27 f 253.7253 5.073073 3160.853       125.9914 3043.243       173.8622 3290.914       182.8338 248.4636 7.156306 258.3634 7.236810 -9.899780      10.17763 
1 1 1 -4  13 28 o 265.9763 6.142673 3479.925       159.9214 3794.000       295.8060 3350.216       190.0972 275.9843 10.97193 260.5542 7.461374 15.43005       13.26858 
1 1 1 -4  13 29 o 159.1571 3.667107 1242.284       57.12888 1308.375       83.04561 1182.909       78.71323 163.0835 5.209043 155.0612 5.193398 8.022263       7.355645 
1 1 1 -4  13 30 o 162.6556 4.376174 1300.016       69.61055 1315.000       126.3658 1293.488       83.40649 162.8492 7.951562 162.1022 5.263576 0.7470245      9.535857 
1 1 1 -4  13 31 o 105.7254 3.906857 549.4440       40.36132 566.4000       77.89716 543.2213       47.18976 106.7338 7.503951 105.0358 4.601072 1.697968       8.802224 
1 1 1 -4  13 32 o 88.49876 3.238801 384.7522       28.00880 384.3509       38.97037 385.1810       40.28311 88.29554 4.524180 88.36952 4.673705 -0.7398224E-01 6.504746 
1 1 1 -4  13 33 o 66.65866 3.492094 218.7725       22.70552 202.1587       31.13792 237.6372       33.18019 63.86001 5.021811 69.28410 4.924695 -5.424088      7.033577 
1 1 1 -4  13 34 o 28.53786 6.446385 41.95601       17.58062 40.61773       23.42228 43.68290       26.60653 28.17622 8.076328 29.28839 8.669625 -1.112164      11.84861 
1 1 1 -4  13 35 o 137.9103 3.472834 935.5779       46.84263 956.2432       66.59814 915.3445       65.89836 139.0782 4.899772 136.0519 4.956675 3.026337       6.969676 
1 1 1 -4  13 36 o 102.9963 3.750120 522.9672       37.74396 574.1104       48.27065 442.5000       60.54782 107.7313 4.588078 93.99316 6.623473 13.73809       8.057347 
1 1 1 -4  13 37 o 108.0878 3.888332 576.7473       41.07125 584.4000       74.62277 573.4216       49.19238 107.7269 7.116738 107.5671 4.683325 0.1597977      8.519478 
1 1 1 -4  13 38 o 95.78399 3.930810 453.6237       36.77541 391.9000       65.67857 481.8136       44.38581 87.73164 7.727118 98.53314 4.614916 -10.80150      9.000323 
1 1 1 -4  13 39 o 52.77579 4.848175 139.3769       24.76528 168.4033       31.54692 92.76000       39.97896 57.84213 5.643643 41.52068 9.964168 16.32145       11.45143 
1 1 1 -4  13 40 o 32.50862 8.058701 56.00572       25.51403 22.01465       29.37208 160.5000       51.49898 23.84205 9.082075 54.77188 9.973137 -30.92983      13.48879 
1 1 1 -4  13 41 o 77.65917 6.722746 306.8000       50.60011 306.8000       50.60011 0.000000       0.000000 77.65917 6.722746 ?        ?        ?              ?        
1 1 1 -4  13 42 o 30.72949 9.298929 50.16768       30.35466 45.07000       38.38223 58.68000       49.59848 30.13074 10.54864 33.91253 11.98156 -3.781786      15.96345 
1 1 1 -4  13 43 o 50.73851 5.763802 131.0865       28.11879 121.8002       33.17068 154.8000       53.00677 48.35706 7.229480 53.01821 10.58500 -4.661156      12.81825 
1 1 1 -4  13 44 o 75.17855 3.716498 281.0236       27.26376 285.7632       31.03509 265.0000       57.06385 75.64495 4.208059 70.77670 8.400570 4.868248       9.395601 
1 1 1 -4  13 45 o 54.29001 4.485315 148.4232       23.62274 132.0655       26.84797 204.5000       49.70970 50.83538 5.482180 61.79836 8.438008 -10.96298      10.06252 
1 1 1 -4  13 46 o 55.95054 6.822741 164.0961       36.59356 200.3000       55.47050 136.2000       48.69181 59.95688 9.789332 48.77760 10.50880 11.17928       14.36196 
1 1 1 -4  13 47 o 26.93968 7.390903 39.39035       20.07383 29.64125       22.72014 74.08000       42.85770 24.01329 8.127248 35.60652 11.10043 -11.59322      13.75761 
1 1 1 -4  13 48 o 59.16534 4.085007 176.1554       23.51214 170.5429       26.69060 195.6000       49.67967 57.93363 4.748382 59.61364 8.776226 -1.680008      9.978440 
1 1 1 -4  13 49 o 32.90442 6.238989 57.60662       19.35925 35.85653       21.45930 152.7000       44.87043 25.68680 7.828002 52.22186 9.109220 -26.53505      12.01064 
1 1 1 -4  13 50 o 60.77705 4.882142 188.6845       28.79986 194.9188       35.40934 176.5000       49.50236 61.14516 5.993187 55.80471 9.395967 5.340458       11.14462 
1 1 1 -4  13 51 o 24.85309 7.624286 33.71249       20.31341 33.71249       20.31341 0.000000       0.000000 24.85309 7.624286 ?        ?        ?              ?        
1 1 1 -4  13 52 o 22.20605 7.308517 26.11601       18.39443 21.46521       20.48361 45.49000       41.80729 21.07328 7.668849 28.85350 10.87079 -7.780212      13.30358 
1 1 1 -4  13 53 o 43.50433 5.457939 99.12669       22.73150 102.3454       26.35652 89.78000       44.91311 43.73500 6.341543 37.68113 11.29095 6.053864       12.94993 
1 1 1 -4  13 54 o 72.21257 3.697176 262.5496       26.04601 267.8035       29.57664 244.4000       54.97153 72.65530 4.176468 65.65105 8.773867 7.004250       9.717182 
1 1 1 -4  13 55 o 26.64011 7.153277 39.61123       19.04438 47.85318       21.28055 6.461000       42.67869 29.16683 7.433320 22.66955 9.964271 6.497278       12.43145 
1 1 1 -4  13 56 o 54.89687 4.238637 153.6667       22.59986 158.9865       25.41965 133.6000       49.36948 55.58241 4.716750 46.12663 11.07479 9.455788       12.03738 
1 1 1 -4  13 57 o 54.95984 4.328845 154.3735       23.09968 151.6619       25.78402 165.4000       51.99429 54.14296 4.918852 51.94721 10.58524 2.195747       11.67230 
1 1 1 -4  13 58 o 24.41434 7.489943 33.32359       19.60365 27.38625       21.73038 59.28000       45.43534 22.69973 7.937870 30.96861 11.39711 -8.268888      13.88898 
1 1 1 -4  13 59 o 29.30529 7.960936 49.72689       23.42355 52.96731       27.32206 40.74000       45.50067 29.87136 8.770556 27.55738 11.06108 2.313978       14.11631 
1 1 1 -4  13 60 o 35.94194 7.831329 74.59449       26.77069 74.59449       26.77069 0.000000       0.000000 35.94194 7.831329 ?        ?        ?              ?        
1 1 1 -4  13 61 o 30.18157 7.659061 53.14405       22.66058 56.59667       25.96778 42.12000       46.40141 30.71233 8.398266 27.25178 11.08646 3.460543       13.90829 
1 1 1 -4  14 1  o 673.8859 14.48743 22355.64       955.6173 20920.00       1577.586 23187.74       1201.041 647.7455 24.92837 685.0255 17.92743 -37.27997      30.70532 
1 1 1 -4  14 2  o 374.0237 8.211544 6859.560       300.6285 7155.000       536.2015 6724.114       363.0586 380.9788 14.40469 370.0055 10.03375 10.97333       17.55481 
1 1 1 -4  14 3  o 462.5591 10.04575 10501.53       454.8369 10070.00       763.4366 10738.99       566.3156 451.3651 17.31190 467.2495 12.39330 -15.88446      21.29074 
1 1 1 -4  14 4  o 679.1482 14.59896 22712.43       970.4938 0.000000       0.000000 22712.43       970.4938 ?        ?        679.1482 14.59896 ?              ?        
1 1 1 -4  14 5  o 391.2057 8.557544 7506.212       327.6880 0.000000       0.000000 7506.212       327.6880 ?        ?        391.2057 8.557544 ?              ?        
1 1 1 -4  14 6  o 229.3485 5.371592 2576.599       120.5883 2385.000       199.6210 2686.694       151.3182 220.2724 9.279269 234.0517 6.611629 -13.77931      11.39379 
1 1 1 -4  14 7  o 272.6270 6.181271 3641.952       164.9502 3713.000       289.9124 3607.942       200.5811 274.7258 10.80211 271.1654 7.564393 3.560455       13.18733 
1 1 1 -4  14 8  o 199.5319 4.156175 1949.616       81.17316 1844.000       159.2976 1986.659       94.34026 193.6987 8.422007 201.3998 4.785549 -7.701141      9.686675 
1 1 1 -4  14 9  f 157.0561 4.173890 1208.813       64.10868 1369.000       119.7361 1144.437       75.90526 166.9293 7.346004 152.7637 5.083360 14.16562       8.933326 
1 1 1 -4  14 10 o 196.2617 4.783116 1886.803       91.88671 1668.000       150.0416 2018.109       116.2326 184.1799 8.344357 202.8474 5.860137 -18.66743      10.19654 
1 1 1 -4  14 11 o 215.0378 5.117876 2265.561       107.7236 2010.000       175.2189 2420.852       136.5859 202.1344 8.877589 222.1358 6.288084 -20.00140      10.87895 
1 1 1 -4  14 12 o 115.1288 3.109040 649.4531       35.00409 612.6483       49.47473 686.3430       49.53183 111.7410 4.532805 118.2962 4.284750 -6.555191      6.237420 
1 1 1 -4  14 13 f 33.28261 4.548691 55.27421       14.43135 55.28407       22.51329 55.26734       18.80237 32.93304 7.186375 33.06291 6.032045 -0.1298676     9.382407 
1 1 1 -4  14 14 o 143.1075 3.361881 1002.906       47.09240 1106.968       69.94013 916.5997       63.69456 150.2283 4.762306 136.6872 4.767973 13.54115       6.738926 
1 1 1 -4  14 15 o 82.45979 2.952668 333.3773       23.79367 344.5309       33.90237 322.5507       33.40189 83.75853 4.148089 81.03044 4.225908 2.728088       5.921566 
1 1 1 -4  14 16 o 147.2099 3.900859 1062.367       56.15915 1132.000       97.61271 1027.914       68.66059 151.7333 6.588027 144.7345 4.853374 6.998795       8.182746 
1 1 1 -4  14 17 o 100.3433 3.293459 493.6782       32.30413 462.2000       50.92915 514.8682       41.78569 96.93427 5.388844 102.4212 4.176801 -5.486885      6.818013 
1 1 1 -4  14 18 o 302.4485 5.876295 4488.254       173.9647 4839.927       258.9477 4198.968       234.8591 313.5407 8.445155 292.0720 8.223253 21.46869       11.78739 
1 1 1 -4  14 19 o 171.0257 4.354550 1434.577       72.83792 1491.834       90.16174 1327.000       123.5847 174.3204 5.290184 164.1026 7.715441 10.21785       9.354896 
1 1 1 -4  14 20 o 245.2762 4.895968 2950.359       117.5439 2867.018       163.2291 3040.127       169.4073 241.4444 6.913878 248.6230 6.968080 -7.178589      9.816101 
1 1 1 -4  14 21 o 285.4023 7.957084 4012.452       222.0719 3578.000       293.2044 4597.000       340.1025 268.6425 11.17478 304.4709 11.43220 -35.82837      15.98659 
1 1 1 -4  14 22 o 120.6864 4.576051 715.3021       53.95952 625.0000       79.76341 791.5000       73.27000 112.4866 7.283458 126.8199 5.918778 -14.33331      9.385132 
1 1 1 -4  14 23 o 115.9680 3.760886 659.8297       42.63435 615.8000       78.02774 678.5698       50.90520 111.6519 7.177670 117.5489 4.432164 -5.897057      8.435818 
1 1 1 -4  14 24 o 167.8533 4.379457 1382.681       71.89278 1358.000       127.7707 1394.115       86.96553 165.8385 7.893839 168.4424 5.281125 -2.603928      9.497524 
1 1 1 -4  14 25 o 326.8113 8.984139 5279.402       287.1227 0.000000       0.000000 5279.402       287.1227 ?        ?        326.8113 8.984139 ?              ?        
1 1 1 -4  14 26 f 228.3555 5.417265 2561.433       121.0871 2675.000       218.3313 2510.985       145.5172 232.2610 9.624439 225.8038 6.590854 6.457199       11.66487 
1 1 1 -4  14 27 o 165.9472 3.705510 1350.263       60.18996 1273.783       82.28849 1438.263       88.26873 160.9477 5.230282 171.0265 5.279071 -10.07881      7.431315 
1 1 1 -4  14 28 o 254.6785 5.092184 3186.766       126.9412 3005.153       172.7769 3399.793       187.1242 246.7459 7.161254 262.4199 7.292027 -15.67395      10.22043 
1 1 1 -4  14 29 o 118.6281 3.209822 690.4274       37.23707 667.1870       51.51733 715.8530       53.88474 116.4704 4.527512 120.6439 4.571308 -4.173515      6.433911 
1 1 1 -4  14 30 o 94.55869 3.144050 438.9112       29.05982 471.2064       40.92550 406.0696       41.27024 97.85794 4.282968 90.78175 4.660023 7.076195       6.329267 
1 1 1 -4  14 31 o 162.0576 3.700560 1289.269       58.70068 1320.199       83.98245 1259.724       82.08081 163.6547 5.249476 159.8579 5.252807 3.796860       7.426236 
1 1 1 -4  14 32 o 188.9714 4.064902 1755.156       75.18866 1729.774       105.4428 1781.415       107.2458 187.1127 5.764022 189.8837 5.776857 -2.771088      8.160640 
1 1 1 -4  14 33 o 110.5402 3.768401 601.2966       40.71439 566.5925       47.87380 692.0000       77.39613 107.1594 4.574694 117.9130 6.733809 -10.75364      8.140761 
1 1 1 -4  14 34 o 96.05663 3.154440 453.6591       29.61873 473.8662       41.74781 433.1799       42.02803 97.97186 4.364330 93.61714 4.600549 4.354721       6.341327 
1 1 1 -4  14 35 o 43.14819 4.276276 92.67987       17.82336 95.72279       23.53559 88.58826       27.29148 43.59172 5.648562 41.60828 6.945704 1.983448       8.952600 
1 1 1 -4  14 36 o 69.56169 3.362694 238.6185       22.82839 239.8150       30.99339 237.1996       33.75105 69.51353 4.580581 69.03374 5.029317 0.4797974      6.802629 
1 1 1 -4  14 37 o 87.98987 3.234986 381.5652       27.81451 405.4960       39.13882 357.1470       39.53549 90.43872 4.434793 84.77196 4.784039 5.666763       6.523376 
1 1 1 -4  14 38 o 81.09097 3.699761 325.0938       29.28914 353.8069       37.53630 280.4000       46.83119 84.38726 4.561267 74.50860 6.485861 9.878662       7.929158 
1 1 1 -4  14 39 o 84.14928 4.051537 351.0526       33.27349 369.3000       63.27747 344.0789       39.11828 84.93437 7.694711 83.08350 4.830989 1.850868       9.085541 
1 1 1 -4  14 40 o 65.27678 9.107903 224.2000       56.61239 0.000000       0.000000 224.2000       56.61239 ?        ?        65.27678 9.107903 ?              ?        
1 1 1 -4  14 41 o 29.42916 9.104939 45.40140       28.89530 50.45000       36.40064 36.80000       47.51250 31.19348 10.28182 29.84725 11.50515 1.346230       15.42998 
1 1 1 -4  14 42 o 54.20039 5.450509 148.6812       28.52431 148.6812       28.52431 0.000000       0.000000 54.20039 5.450509 ?        ?        ?              ?        
1 1 1 -4  14 43 o 28.35394 8.467942 42.79727       25.29392 41.95794       29.76238 44.98000       47.99561 28.38008 9.294151 30.96314 11.65148 -2.583055      14.90430 
1 1 1 -4  14 44 f 44.33804 6.300615 101.9818       26.57533 94.91173       31.78640 118.4000       48.43870 42.04518 8.016089 45.55210 10.99093 -3.506916      13.60361 
1 1 1 -4  14 45 o 52.60802 7.262480 146.2012       36.40097 114.9000       52.72912 174.7000       50.31330 43.97735 11.94340 56.24257 9.475727 -12.26522      15.24579 
1 1 1 -4  14 46 o 19.66150 7.250514 16.98498       18.40392 6.190796       20.48281 62.21000       41.92605 17.53697 7.274183 33.12050 11.03876 -15.58353      13.21998 
1 1 1 -4  14 47 o 26.85141 7.147158 39.13627       19.11511 42.13041       21.50967 27.89000       41.68715 27.75088 7.665361 26.37934 10.58770 1.371536       13.07123 
1 1 1 -4  14 48 o 37.33099 5.325753 72.25256       18.90954 73.64009       21.19118 66.83000       41.89245 37.43088 5.985426 33.80894 11.02381 3.621937       12.54391 
1 1 1 -4  14 49 o 27.33658 6.823426 40.63636       18.19960 37.08001       20.26020 55.50000       41.41946 26.03200 7.526811 31.24597 10.95665 -5.213970      13.29290 
1 1 1 -4  14 50 o 38.68636 5.944893 78.95316       21.79247 78.95316       21.79247 0.000000       0.000000 38.68636 5.944893 ?        ?        ?              ?        
1 1 1 -4  14 51 o 30.56305 6.512135 50.64360       18.88514 66.74136       21.12701 -13.36000      42.12671 35.27428 6.352501 20.53839 9.385605 14.73589       11.33331 
1 1 1 -4  14 52 o 40.65961 5.679436 87.13532       21.98759 102.6028       25.37323 40.50000       44.05786 43.96903 6.056223 28.02342 11.00030 15.94561       12.55725 
1 1 1 -4  14 53 o 35.77722 5.848988 68.18530       19.77590 64.57426       22.15052 82.37000       43.90147 34.31315 6.835228 36.07243 11.23310 -1.759281      13.14925 
1 1 1 -4  14 54 o 47.95199 4.537116 117.9977       21.04247 123.7656       23.63410 95.94000       46.21779 48.87660 5.010926 38.72498 11.41700 10.15162       12.46825 
1 1 1 -4  14 55 o 41.51562 5.128643 89.94750       20.39841 87.89346       22.79333 98.21000       45.71502 40.63733 5.902801 39.15283 11.30194 1.484493       12.75057 
1 1 1 -4  14 56 o 21.56415 7.602407 23.96313       19.96009 36.57641       22.32628 -26.26000      44.55066 25.49347 8.021270 19.58087 9.187076 5.912592       12.19603 
1 1 1 -4  14 57 o 36.33715 6.057009 71.07516       20.78551 59.84008       23.11218 118.6000       47.53497 32.57505 7.415503 43.02636 11.18488 -10.45130      13.41981 
1 1 1 -4  14 58 o 62.50611 3.944076 198.3456       24.00789 195.6925       26.90836 208.7000       53.15928 61.76514 4.481273 59.48638 9.444977 2.278767       10.45416 
1 1 1 -4  14 59 o 70.75436 4.266538 256.2083       29.41118 256.2083       29.41118 0.000000       0.000000 70.75436 4.266538 ?        ?        ?              ?        
1 1 1 -4  14 60 o 30.54503 6.898643 52.73070       20.13678 52.97208       22.39154 51.71000       46.04518 30.23249 7.581261 28.89879 11.27442 1.333696       13.58632 
1 1 1 -4  15 1  o 250.4354 7.086126 3076.870       173.5298 3457.000       264.3406 2789.000       230.0363 265.1386 10.20461 238.1436 9.890029 26.99506       14.21079 
1 1 1 -4  15 2  o 98.09278 3.130844 471.5516       30.02259 491.5000       62.29071 465.5154       34.26514 99.94296 6.401090 97.44122 3.598739 2.501747       7.343356 
1 1 1 -4  15 3  o 289.6380 8.007733 4117.458       226.8059 0.000000       0.000000 4117.458       226.8059 ?        ?        289.6380 8.007733 ?              ?        
1 1 1 -4  15 4  o 674.2814 14.51744 22409.25       958.1585 0.000000       0.000000 22409.25       958.1585 ?        ?        674.2814 14.51744 ?              ?        
1 1 1 -4  15 5  o 104.9389 4.583550 540.3720       46.96736 516.3000       65.53043 565.8000       67.35072 102.4235 6.571043 107.2508 6.445311 -4.827354      9.204382 
1 1 1 -4  15 6  o 136.6280 3.857590 914.8210       51.53794 823.5000       87.29015 963.6912       63.85606 129.4198 6.915733 140.1910 4.659933 -10.77122      8.339205 
1 1 1 -4  15 7  o 329.5090 7.328132 5324.807       236.3561 5747.000       430.6730 5142.841       282.7397 341.3463 12.91308 323.5459 8.936363 17.80048       15.70370 
1 1 1 -4  15 8  o 342.4358 9.322485 5763.484       312.1855 5773.000       441.8740 5754.000       441.1211 341.9846 13.22529 341.4207 13.22464 0.5639343      18.70292 
1 1 1 -4  15 9  o 98.32170 2.990708 473.7434       28.74911 563.6000       65.91606 452.6352       31.94789 107.0344 6.319734 96.08517 3.402245 10.94924       7.177347 
1 1 1 -4  15 10 o 92.15449 2.957162 416.2264       26.64006 387.5000       58.56988 423.7196       29.91343 88.62802 6.803472 92.96544 3.292492 -4.337418      7.558289 
1 1 1 -4  15 11 o 171.0536 3.734504 1432.970       62.52755 1382.000       126.1255 1449.580       71.99806 167.6220 7.707785 172.0238 4.275885 -4.401825      8.814371 
1 1 1 -4  15 12 o 170.1463 4.346116 1419.179       72.32264 1284.000       120.7276 1494.844       90.32349 161.5437 7.656815 174.5580 5.292448 -13.01431      9.307890 
1 1 1 -4  15 13 o 346.6746 7.684085 5901.853       260.7476 5286.000       419.4328 6289.787       332.8913 326.7737 13.14001 357.4391 9.523165 -30.66547      16.22808 
1 1 1 -4  15 14 o 126.4774 4.492395 784.8596       55.52734 0.000000       0.000000 784.8596       55.52734 ?        ?        126.4774 4.492395 ?              ?        
1 1 1 -4  15 15 o 207.9674 5.004966 2120.303       101.8832 2315.588       130.5436 1816.000       162.9574 217.1545 6.147774 191.9467 8.695943 25.20773       10.64963 
1 1 1 -4  15 16 o 242.0902 5.577611 2874.719       132.1696 3012.000       234.5697 2810.861       159.9834 247.0588 9.718818 239.1557 6.841231 7.903091       11.88519 
1 1 1 -4  15 17 o 175.5417 3.812899 1509.784       65.51516 1514.581       93.01081 1505.060       92.29816 175.6391 5.416584 175.0881 5.391977 0.5509338      7.642827 
1 1 1 -4  15 18 f 206.0528 4.959063 2082.090       100.0194 2124.000       177.9802 2062.745       120.9194 207.4930 8.783051 204.9072 6.035402 2.585754       10.65683 
1 1 1 -4  15 19 o 257.7533 5.947748 3261.563       150.0593 3115.000       253.1738 3340.936       186.3132 250.9102 10.33057 260.5644 7.312269 -9.654160      12.65661 
1 1 1 -4  15 20 o 211.8694 6.200562 2206.624       128.4512 2129.000       181.8027 2284.000       181.5124 207.6056 8.967686 215.1139 8.638050 -7.508240      12.45132 
1 1 1 -4  15 21 o 184.6090 5.638163 1674.687       101.7624 1588.000       144.4917 1760.000       143.3428 179.3469 8.252938 188.9203 7.768164 -9.573364      11.33381 
1 1 1 -4  15 22 o 268.1865 6.147704 3533.787       161.3824 3342.000       272.2294 3637.708       200.3911 259.5618 10.73809 271.7325 7.541381 -12.17062      13.12170 
1 1 1 -4  15 23 o 179.0709 5.498003 1575.974       96.25459 0.000000       0.000000 1575.974       96.25459 ?        ?        179.0709 5.498003 ?              ?        
1 1 1 -4  15 24 o 328.1455 9.013999 5323.274       289.2535 0.000000       0.000000 5323.274       289.2535 ?        ?        328.1455 9.013999 ?              ?        
1 1 1 -4  15 25 o 92.13516 2.947066 416.3329       26.54376 379.6241       35.89318 460.6394       39.43313 87.87712 4.184848 96.82138 4.170648 -8.944260      5.908236 
1 1 1 -4  15 26 o 145.7867 4.090683 1043.355       58.31637 1031.000       105.8869 1048.734       69.86710 144.4001 7.517385 146.0670 4.893594 -1.666916      8.969857 
1 1 1 -4  15 27 f 266.8531 5.292377 3499.732       138.2386 3292.048       187.8496 3745.060       204.1656 258.1847 7.440926 275.3427 7.582571 -17.15808      10.62369 
1 1 1 -4  15 28 o 159.0953 3.615401 1241.467       56.30152 1190.406       77.72783 1297.828       81.66255 155.5377 5.112403 162.4059 5.143549 -6.868179      7.252087 
1 1 1 -4  15 29 o 283.3320 5.586037 3951.958       154.9194 3714.747       210.4447 4232.584       228.8944 273.8059 7.860291 292.2135 8.010113 -18.40759      11.22257 
1 1 1 -4  15 30 o 123.5854 3.235641 749.7167       39.10749 704.2333       53.49477 801.9290       57.31538 119.5958 4.578168 127.6305 4.595366 -8.034637      6.486680 
1 1 1 -4  15 31 o 118.8607 3.779006 694.6176       43.91066 641.3545       50.98059 847.7000       86.42793 114.0845 4.574604 130.6841 6.779730 -16.59962      8.178737 
1 1 1 -4  15 32 o 148.0208 3.498518 1076.200       50.68893 1136.765       73.41874 1021.037       70.06852 151.7761 4.948552 143.8258 4.984675 7.950333       7.023899 
1 1 1 -4  15 33 o 150.5750 3.536419 1114.438       52.12222 1139.247       74.22890 1090.308       73.20564 151.8353 5.001349 148.5228 5.042842 3.312439       7.102376 
1 1 1 -4  15 34 o 65.54224 3.132207 211.5374       20.03638 210.4560       26.82144 212.9029       30.13932 65.21085 4.224738 65.49851 4.732983 -0.2876587     6.344252 
1 1 1 -4  15 35 o 42.03991 4.087492 87.94820       16.60787 106.2488       21.60831 61.53399       25.96013 46.10191 4.861572 34.32484 7.891816 11.77707       9.269069 
1 1 1 -4  15 36 o 152.0582 4.190426 1142.791       62.31031 1111.000       74.03511 1220.000       115.3784 149.5900 5.063552 155.3918 7.608740 -5.801727      9.139611 
1 1 1 -4  15 37 o 38.29849 4.885513 73.89500       17.89824 73.89500       17.89824 0.000000       0.000000 38.29849 4.885513 ?        ?        ?              ?        
1 1 1 -4  15 38 o 61.97404 3.511248 190.0337       21.21276 175.4512       23.06597 270.0000       54.01441 59.44600 3.987140 72.55415 7.724347 -13.10816      8.692688 
1 1 1 -4  15 39 o 65.31900 3.943470 211.7966       25.09555 218.2183       28.53923 189.9000       52.69919 66.18443 4.430874 59.95793 9.278912 6.226498       10.28255 
1 1 1 -4  15 40 o 38.00043 5.457274 73.58622       19.71719 60.37096       21.55293 141.4000       48.82336 34.01580 6.711670 51.12090 10.11543 -17.10510      12.13954 
1 1 1 -4  15 41 o 69.93922 3.646636 242.6117       24.87807 241.5941       27.73611 246.8000       56.26991 69.67484 4.084817 68.56626 8.570845 1.108582       9.494478 
1 1 1 -4  15 42 o 80.28043 4.237247 321.2799       33.17867 309.3015       39.41631 350.4000       61.45704 78.41975 5.163782 82.16390 7.732509 -3.744156      9.298190 
1 1 1 -4  15 43 o 81.07523 4.923500 330.6937       38.88806 328.6000       49.99775 333.9000       61.87276 80.05685 6.434516 79.71228 8.039642 0.3445740      10.29752 
1 1 1 -4  15 44 o 58.95058 6.954518 181.4972       39.35778 237.3000       59.97935 139.3000       52.15736 65.78572 9.597152 49.24033 11.08906 16.54539       14.66535 
1 1 1 -4  15 45 o 21.29557 7.676289 21.13791       20.46007 25.09960       23.25030 7.540000       43.07488 22.87587 8.190737 23.76116 10.23016 -0.8852863     13.10513 
1 1 1 -4  15 46 o 52.36395 5.072260 140.0469       25.67282 129.1491       30.55705 166.2000       47.33730 49.64429 6.439955 54.73119 9.159528 -5.086906      11.19687 
1 1 1 -4  15 47 o 36.30999 7.066263 71.06641       24.21036 72.83846       29.26054 67.22000       43.10934 36.14844 8.425933 33.92316 11.18960 2.225273       14.00727 
1 1 1 -4  15 48 o 58.08087 4.846950 171.9904       27.30449 196.5128       33.55145 123.9000       46.98503 61.69726 5.617234 45.81842 10.67528 15.87885       12.06296 
1 1 1 -4  15 49 o 39.62009 5.519019 81.87363       20.82328 81.87363       20.82328 0.000000       0.000000 39.62009 5.519019 ?        ?        ?              ?        
1 1 1 -4  15 50 o 45.57017 4.493930 106.0026       19.78473 116.0966       22.08352 64.95000       44.53544 47.57076 4.808613 32.94458 11.37275 14.62618       12.34756 
1 1 1 -4  15 51 o 27.15443 7.373930 41.01904       20.10096 37.53574       22.99827 52.29000       41.36947 25.97408 8.136669 30.11717 10.90736 -4.143087      13.60793 
1 1 1 -4  15 52 o 35.49401 5.915927 67.17792       19.83037 72.88856       22.11557 43.75000       44.79426 36.77294 6.375113 28.57715 11.12841 8.195786       12.82511 
1 1 1 -4  15 53 o 19.36290 7.201026 17.19836       18.22271 7.668364       20.21330 58.56000       42.11044 17.47479 7.235269 31.15295 11.03700 -13.67817      13.19714 
1 1 1 -4  15 54 o 47.10061 4.509175 113.9326       20.53528 108.4544       22.89244 136.5000       46.46373 45.58437 5.224943 47.38148 10.31194 -1.797108      11.56011 
1 1 1 -4  15 55 o 43.56171 4.836420 98.33235       20.27506 95.11954       22.53239 112.0000       46.47422 42.47197 5.552846 41.98452 11.13005 0.4874535      12.43833 
1 1 1 -4  15 56 f 25.22895 7.414546 35.67683       19.51877 31.05595       21.57231 56.54000       45.83787 23.79428 7.917889 30.58087 11.41152 -6.786591      13.88941 
1 1 1 -4  15 57 o 42.49546 5.146162 94.53856       20.97025 93.49567       23.37987 98.83000       47.42681 41.86454 5.866216 38.70951 11.60343 3.155033       13.00200 
1 1 1 -4  15 58 o 34.72638 6.797147 66.81480       22.27682 66.81480       22.27682 0.000000       0.000000 34.72638 6.797147 ?        ?        ?              ?        
1 1 1 -4  15 59 o 16.16166 6.792817 5.475776       18.21446 1.492829       19.98358 25.03000       44.27833 15.92703 6.912590 24.83552 10.52248 -8.908490      12.58994 
1 1 1 -4  15 60 o 26.09411 7.782425 39.63805       21.37564 29.55886       24.12797 76.41000       46.08572 23.19272 8.339085 33.35365 11.56628 -10.16092      14.25900 
1 1 1 -4  16 1  o 209.8829 5.022273 2158.068       103.1772 1980.000       170.2276 2261.475       129.7209 200.6514 8.687840 214.7089 6.178820 -14.05746      10.66097 
1 1 1 -4  16 2  o 329.8268 8.996480 5345.349       290.1743 0.000000       0.000000 5345.349       290.1743 ?        ?        329.8268 8.996480 ?              ?        
1 1 1 -4  16 3  o 486.6544 12.98286 11678.92       617.8873 0.000000       0.000000 11678.92       617.8873 ?        ?        486.6544 12.98286 ?              ?        
1 1 1 -4  16 4  o 72.41290 4.043766 257.6047       28.54827 313.2000       50.32353 231.2224       34.66636 79.66214 6.510496 68.49888 5.209402 11.16326       8.338131 
1 1 1 -4  16 5  o 546.0815 10.23236 14660.33       546.9401 14760.00       1094.066 14627.12       631.5161 543.8608 20.58897 545.0494 11.83702 -1.188538      23.74912 
1 1 1 -4  16 6  o 214.6326 6.284139 2260.489       131.8803 2209.000       183.9038 2315.000       189.2237 211.8940 8.886502 216.9214 8.930933 -5.027374      12.59887 
1 1 1 -4  16 7  o 205.6900 4.918697 2072.965       99.03061 2526.000       195.3936 1916.367       114.8783 226.6034 8.826104 197.6280 5.945349 28.97540       10.64177 
1 1 1 -4  16 8  o 65.01514 3.174762 207.4681       20.14265 304.9000       49.09074 187.7439       22.08760 78.58865 6.438041 61.80746 3.667400 16.78119       7.409332 
1 1 1 -4  16 9  o 251.8936 5.003421 3109.360       123.3646 2949.000       240.2290 3166.795       143.7695 244.6305 10.05391 254.1547 5.779128 -9.524231      11.59653 
1 1 1 -4  16 10 o 89.02377 2.982556 388.4961       25.95297 339.1000       56.02486 401.9922       29.28461 82.83760 6.974220 90.54213 3.309893 -7.704529      7.719789 
1 1 1 -4  16 11 o 183.8776 3.920769 1656.249       70.56776 1556.000       138.7556 1691.225       81.95859 177.7955 7.993474 185.7820 4.506969 -7.986526      9.176514 
1 1 1 -4  16 12 o 354.2024 6.770072 6157.844       234.7205 5549.000       438.7707 6401.927       277.8140 334.5701 13.42539 360.9732 7.862721 -26.40311      15.55839 
1 1 1 -4  16 13 o 86.16673 2.961999 364.0185       24.94506 302.0000       54.38057 380.5459       28.07281 78.09045 7.195271 88.08733 3.261495 -9.996880      7.899955 
1 1 1 -4  16 14 o 240.3504 4.817427 2831.934       113.3356 2627.000       218.3927 2907.467       132.5868 230.7121 9.692372 243.4676 5.563562 -12.75552      11.17566 
1 1 1 -4  16 15 o 168.9852 3.698301 1399.001       61.17263 1567.000       133.7281 1354.544       68.79200 178.3794 7.676967 166.1986 4.232118 12.18077       8.766222 
1 1 1 -4  16 16 o 420.4641 7.970510 8695.797       328.0358 8268.000       633.5849 8852.470       383.4278 406.6579 15.94822 423.8704 9.241539 -17.21249      18.43236 
1 1 1 -4  16 17 o 43.53043 3.855331 93.58133       16.25742 0.000000       0.000000 93.58133       16.25742 ?        ?        43.53043 3.855331 ?              ?        
1 1 1 -4  16 18 o 137.9854 4.999480 935.1574       67.41332 1021.000       99.34708 861.9000       91.77605 143.9404 7.072907 132.2157 7.117771 11.72473       10.03438 
1 1 1 -4  16 19 o 292.4909 11.68079 4248.000       333.7462 4248.000       333.7462 0.000000       0.000000 292.4909 11.68079 ?        ?        ?              ?        
1 1 1 -4  16 20 o 140.2404 7.321226 970.3000       100.1513 970.3000       100.1513 0.000000       0.000000 140.2404 7.321226 ?        ?        ?              ?        
1 1 1 -4  16 21 o 84.17250 5.224965 349.0699       42.83643 360.4000       62.95203 339.3000       58.45711 85.21931 7.627414 82.71725 7.294631 2.502060       10.55410 
1 1 1 -4  16 22 o 125.6172 6.999953 778.8000       85.72932 0.000000       0.000000 778.8000       85.72932 ?        ?        125.6172 6.999953 ?              ?        
1 1 1 -4  16 23 o 171.6144 7.918436 1455.000       132.6561 0.000000       0.000000 1455.000       132.6561 ?        ?        171.6144 7.918436 ?              ?        
1 1 1 -4  16 24 o 235.3442 6.904723 2729.391       158.8862 2793.000       228.6542 2670.000       220.9422 237.2323 9.868441 231.9787 9.752012 5.253616       13.87400 
1 1 1 -4  16 25 o 291.0513 8.207278 4187.152       233.5829 4258.000       334.8504 4120.000       325.9997 292.0088 11.73910 287.2899 11.61682 4.718872       16.51536 
1 1 1 -4  16 26 o 271.1529 7.748077 3633.741       205.4324 3655.000       292.3363 3613.000       288.7475 270.5856 11.06084 269.0591 10.98699 1.526520       15.59026 
1 1 1 -4  16 27 o 180.6962 5.833479 1608.711       103.0418 1724.000       152.1360 1511.000       140.0583 186.4206 8.358685 174.5402 8.221088 11.88042       11.72407 
1 1 1 -4  16 28 o 190.0435 6.028041 1781.407       111.9917 1813.000       161.2958 1752.000       155.6172 190.9432 8.652517 187.7525 8.489665 3.190720       12.12190 
1 1 1 -4  16 29 o 157.4411 4.230169 1218.706       65.13108 1160.294       76.54060 1372.000       123.9952 153.4587 5.102684 166.2171 7.641637 -12.75842      9.188689 
1 1 1 -4  16 30 o 161.6106 3.646333 1282.494       57.68094 1314.844       66.56641 1185.000       115.5590 163.5020 4.162740 154.2911 7.675781 9.210876       8.731896 
1 1 1 -4  16 31 o 228.1153 4.672625 2562.892       104.3329 2680.572       123.0555 2262.000       196.7686 233.0494 5.394445 212.0247 9.505363 21.02466       10.92941 
1 1 1 -4  16 32 o 117.0676 3.133882 673.4412       35.87855 662.7879       40.03534 716.9000       80.86095 116.0749 3.527796 119.8711 6.920998 -3.796211      7.768240 
1 1 1 -4  16 33 o 89.50974 2.953356 393.8700       25.84029 382.2630       28.26683 452.9000       63.74607 88.13318 3.282396 95.08739 6.895811 -6.954208      7.637168 
1 1 1 -4  16 34 o 116.6443 3.158698 669.2934       36.03112 665.2385       40.41534 685.0000       79.54252 116.2110 3.557169 116.8647 6.985480 -0.6537476     7.839029 
1 1 1 -4  16 35 o 105.6561 3.078652 549.4144       31.80517 548.1329       35.38764 554.8000       72.54323 105.4610 3.432672 104.9204 7.105592 0.5406342      7.891303 
1 1 1 -4  16 36 o 42.78101 3.795025 90.99649       15.72705 90.99649       15.72705 0.000000       0.000000 42.78101 3.795025 ?        ?        ?              ?        
1 1 1 -4  16 37 o 34.86716 4.340051 61.08465       14.49239 55.30131       15.18248 120.4000       48.62245 33.04293 4.837431 47.09521 10.78088 -14.05228      11.81643 
1 1 1 -4  16 38 o 42.07594 4.197863 88.51739       17.05844 85.02874       18.19299 113.9000       49.07316 41.14327 4.595919 45.53342 11.11032 -4.390152      12.02338 
1 1 1 -4  16 39 o 91.51735 3.132522 413.3071       28.01967 411.1076       31.00697 423.1000       65.42728 91.18539 3.480374 90.90924 7.417068 0.2761459      8.193039 
1 1 1 -4  16 40 o 18.61286 6.619831 15.41407       15.16194 5.032059       16.00271 106.5000       47.40002 15.83734 6.484903 43.76815 11.06098 -27.93082      12.82183 
1 1 1 -4  16 41 o 74.09087 3.306298 271.6921       23.91760 256.4235       26.05166 353.6000       60.33905 71.86862 3.715926 82.72659 7.534138 -10.85796      8.400676 
1 1 1 -4  16 42 o 38.53233 4.966102 75.53638       18.29533 62.27496       19.57005 167.5000       51.53529 34.62608 5.990835 55.31225 9.881340 -20.68616      11.55556 
1 1 1 -4  16 43 o 55.90215 7.384893 164.3516       39.42163 140.2000       59.10946 183.7000       52.90614 48.69562 12.37683 57.79669 9.694806 -9.101070      15.72180 
1 1 1 -4  16 44 o 60.09201 3.812452 180.6228       22.30912 173.0469       24.42254 218.8000       54.82449 58.64756 4.283910 63.20893 9.125006 -4.561375      10.08056 
1 1 1 -4  16 45 o 57.32573 3.574358 164.1693       19.95665 159.9477       21.80101 186.0000       49.57614 56.44711 3.971083 58.12694 9.004401 -1.679836      9.841176 
1 1 1 -4  16 46 o 56.60506 4.384115 161.9690       24.10168 165.5882       27.92499 151.4000       47.72077 56.94019 5.063089 51.64440 9.798499 5.295795       11.02930 
1 1 1 -4  16 47 o 15.69517 6.711051 1.588940       18.30070 8.993072       20.56568 -26.58000      40.11357 18.10026 7.374274 18.91918 8.824621 -0.8189163     11.50017 
1 1 1 -4  16 48 o 27.34902 7.846130 41.35246       22.09675 41.35246       22.09675 0.000000       0.000000 27.34902 7.846130 ?        ?        ?              ?        
1 1 1 -4  16 49 o 24.07454 7.218336 31.48801       18.35202 33.49743       20.40673 22.99000       41.96592 24.78274 7.648842 25.24778 10.43673 -0.4650421     12.93948 
1 1 1 -4  16 50 f 51.05999 4.997693 134.3105       24.65841 112.7000       28.72117 194.9000       48.09158 45.90765 6.579465 59.01263 8.576531 -13.10498      10.80954 
1 1 1 -4  16 51 o 54.31921 5.182898 152.9505       27.22333 165.1709       33.20608 127.9000       47.54277 55.82899 6.179820 45.59233 10.81728 10.23666       12.45808 
1 1 1 -4  16 52 o 25.72631 8.511971 36.99934       24.93999 43.31924       30.02339 22.93000       44.79627 27.53201 9.342392 25.23899 10.63301 2.293024       14.15419 
1 1 1 -4  16 53 o 33.51904 7.942874 63.89334       25.65862 69.40406       31.89766 53.79000       43.19038 34.19240 9.290654 30.17407 11.11072 4.018333       14.48325 
1 1 1 -4  16 54 o 26.80409 8.418891 41.01815       24.60509 48.95134       30.24746 25.50000       42.30431 28.87657 9.363666 25.16559 10.44758 3.710985       14.02961 
1 1 1 -4  16 55 o 55.54950 3.937397 156.5903       21.27021 165.8682       23.62583 116.9000       48.86551 57.00575 4.265028 42.53539 11.47451 14.47036       12.24152 
1 1 1 -4  16 56 o 23.96545 6.914009 31.91612       17.11304 37.02901       18.48649 1.292000       45.24315 25.69319 7.109879 22.35904 10.01747 3.334146       12.28414 
1 1 1 -4  16 57 o 20.59336 7.391794 21.38256       18.94847 21.38256       18.94847 0.000000       0.000000 20.59336 7.391794 ?        ?        ?              ?        
1 1 1 -4  16 58 o 14.67702 6.409908 -0.3172053     17.41042 -4.309927      18.96329 21.11000       43.93007 14.52707 6.498676 24.36425 10.40724 -9.837180      12.26962 
1 1 1 -4  16 59 o 30.75542 7.163285 53.95181       21.16150 65.86539       23.73708 7.817000       46.71113 33.94332 7.357120 22.89077 10.22268 11.05255       12.59486 
1 1 1 -4  17 1  o 283.8641 7.904669 3958.627       219.4206 0.000000       0.000000 3958.627       219.4206 ?        ?        283.8641 7.904669 ?              ?        
1 1 1 -4  17 2  o 315.7256 12.30440 4922.000       379.5284 0.000000       0.000000 4922.000       379.5284 ?        ?        315.7256 12.30440 ?              ?        
1 1 1 -4  17 3  o 462.8278 10.07958 10536.57       456.6338 9596.000       739.7787 11115.51       580.3969 439.2488 17.23968 474.5711 12.50536 -35.32227      21.29767 
1 1 1 -4  17 4  o 270.2723 6.166010 3581.919       163.1218 4041.000       305.6281 3399.051       192.8935 286.2769 10.92695 263.0558 7.499065 23.22113       13.25270 
1 1 1 -4  17 5  o 342.7364 7.601923 5766.406       255.0292 5580.000       431.5981 5866.407       316.1198 335.8953 13.15254 345.3023 9.361531 -9.407013      16.14396 
1 1 1 -4  17 6  o 307.2996 5.952607 4630.552       179.0504 4372.000       345.3134 4725.628       209.3990 297.5166 11.88147 310.3370 6.893422 -12.82034      13.73640 
1 1 1 -4  17 7  o 179.6440 4.526508 1582.263       79.53097 1480.000       133.4260 1638.621       99.05045 173.4162 7.880999 182.7367 5.544048 -9.320557      9.635695 
1 1 1 -4  17 8  o 398.1153 7.549419 7783.165       294.1905 7554.000       577.0219 7863.657       341.9756 389.9512 15.14616 399.9408 8.735608 -9.989594      17.48476 
1 1 1 -4  17 9  o 215.6326 4.423622 2278.420       93.36816 2581.000       203.0493 2197.286       105.1435 228.8806 9.081326 211.7180 5.073626 17.16266       10.40251 
1 1 1 -4  17 10 o 193.9718 4.076047 1843.432       77.38985 1832.000       156.1135 1847.156       89.10976 192.8647 8.288890 194.1335 4.689415 -1.268738      9.523460 
1 1 1 -4  17 11 o 105.9224 3.035779 549.9009       31.44242 555.0000       67.01733 548.4617       35.60425 106.1399 6.481536 105.7615 3.443876 0.3783875      7.339659 
1 1 1 -4  17 12 o 63.36243 3.099357 197.0954       19.16417 233.0000       47.17702 189.9998       20.97250 68.50568 7.140224 62.18446 3.459210 6.321213       7.934037 
1 1 1 -4  17 13 o 264.6408 5.226007 3434.667       135.3733 3311.000       265.8151 3477.974       157.3005 258.8143 10.51454 266.2124 6.036645 -7.398041      12.12421 
1 1 1 -4  17 14 o 175.7028 4.371385 1513.174       75.18026 1356.000       127.3580 1597.235       93.13950 165.8641 7.866962 180.3780 5.280949 -14.51387      9.475101 
1 1 1 -4  17 15 o 119.3834 3.522755 698.8677       41.12040 0.000000       0.000000 698.8677       41.12040 ?        ?        119.3834 3.522755 ?              ?        
1 1 1 -4  17 16 o 159.4727 3.599089 1246.096       56.18045 1197.000       113.8980 1261.882       64.58368 155.8227 7.489491 160.3985 4.116948 -4.575760      8.546447 
1 1 1 -4  17 17 o 115.9963 4.477257 660.7308       50.73951 555.2000       73.66340 756.0000       69.99042 106.0187 7.140079 123.9578 5.784392 -17.93906      9.189120 
1 1 1 -4  17 18 o 159.3721 7.623562 1253.000       118.5811 1253.000       118.5811 0.000000       0.000000 159.3721 7.623562 ?        ?        ?              ?        
1 1 1 -4  17 19 o 304.1268 8.485636 4563.726       252.3600 4593.000       358.5923 4535.000       355.2137 303.8430 12.08126 301.9309 12.04337 1.912079       17.05871 
1 1 1 -4  17 20 o 175.1249 5.658482 1507.695       96.86874 1458.000       135.2738 1560.000       138.7797 171.8143 8.066072 177.7487 7.996993 -5.934387      11.35841 
1 1 1 -4  17 21 o 119.4491 6.994056 704.5000       81.41678 0.000000       0.000000 704.5000       81.41678 ?        ?        119.4491 6.994056 ?              ?        
1 1 1 -4  17 22 o 230.9110 9.623996 2643.000       217.0467 0.000000       0.000000 2643.000       217.0467 ?        ?        230.9110 9.623996 ?              ?        
1 1 1 -4  17 23 o 222.5542 6.630145 2440.088       144.2715 2429.000       204.8489 2451.000       203.2222 221.2924 9.479120 222.3312 9.359165 -1.038727      13.32095 
1 1 1 -4  17 24 o 357.1750 9.851960 6332.077       344.1082 6649.000       503.8344 6055.000       471.0982 363.3036 14.19543 346.8740 13.90318 16.42960       19.86979 
1 1 1 -4  17 25 o 181.9019 5.863631 1629.590       104.2659 1562.000       144.9798 1702.000       150.0600 177.5081 8.367720 185.3293 8.293084 -7.821152      11.78109 
1 1 1 -4  17 26 o 150.9730 5.403950 1122.441       79.72889 1124.000       115.0406 1121.000       110.5980 150.5689 7.832589 150.4393 7.534668 0.1295776      10.86833 
1 1 1 -4  17 27 o 215.3490 6.541848 2290.160       137.7354 2108.000       187.0342 2506.000       203.5922 205.6501 9.315689 224.2685 9.294559 -18.61842      13.15944 
1 1 1 -4  17 28 o 47.79971 8.211826 116.5270       37.03719 105.1000       55.33663 125.8000       49.84911 44.87713 12.25480 49.19148 10.66121 -4.314354      16.24320 
1 1 1 -4  17 29 o 181.8607 5.850825 1634.158       104.0152 1699.000       151.2675 1576.000       143.2584 184.5180 8.397313 177.7573 8.256089 6.760757       11.77616 
1 1 1 -4  17 30 o 84.62178 5.387463 354.7919       44.39270 357.4000       65.69403 352.6000       60.22359 84.30582 8.058869 83.90609 7.408790 0.3997345      10.94694 
1 1 1 -4  17 31 o 72.83001 5.748145 264.0514       40.64540 303.0000       61.58905 234.0000       54.09910 77.39320 8.257478 67.89255 8.314001 9.500656       11.71787 
1 1 1 -4  17 32 o 77.72296 5.720035 300.9140       43.21168 217.4000       62.93504 375.4000       59.43605 64.64769 10.29024 86.47865 7.083601 -21.83096      12.49265 
1 1 1 -4  17 33 o 118.5192 5.119877 696.5664       59.25552 791.0000       89.96184 624.2000       78.75237 125.4594 7.357997 111.4421 7.259021 14.01730       10.33603 
1 1 1 -4  17 34 o 80.69019 5.534270 324.9299       43.44597 316.7000       62.14024 332.8000       60.76655 78.76797 8.178576 80.92377 7.766776 -2.155792      11.27883 
1 1 1 -4  17 35 o 107.1904 7.595747 583.2000       79.17906 583.2000       79.17906 0.000000       0.000000 107.1904 7.595747 ?        ?        ?              ?        
1 1 1 -4  17 36 o 50.51856 4.073914 126.9665       19.97437 126.9665       19.97437 0.000000       0.000000 50.51856 4.073914 ?        ?        ?              ?        
1 1 1 -4  17 37 o 74.92847 3.094043 276.9971       22.64353 267.4086       24.44957 334.8000       60.03051 73.55527 3.405111 80.80436 7.682115 -7.249084      8.402956 
1 1 1 -4  17 38 f 46.77719 3.226049 108.3972       14.68059 104.9852       15.33903 145.6000       50.64992 45.99480 3.431821 51.81483 10.34906 -5.820026      10.90323 
1 1 1 -4  17 39 o 25.45340 4.667666 33.20788       11.20083 29.38273       11.51249 101.0000       48.46571 23.82884 5.090462 42.56313 11.40370 -18.73429      12.48828 
1 1 1 -4  17 40 o 41.86344 3.493243 87.23682       14.18394 81.96429       14.80248 146.4000       49.58505 40.51145 3.776438 51.78130 10.14601 -11.26985      10.82603 
1 1 1 -4  17 41 o 31.93254 4.411603 51.71866       13.42112 45.32451       13.93530 133.6000       49.86749 29.71678 4.965904 48.90595 10.71409 -19.18917      11.80898 
1 1 1 -4  17 42 o 85.46735 3.817479 363.7194       31.85560 378.4752       37.04033 321.8000       62.43106 86.96025 4.365550 77.93624 8.311928 9.024010       9.388619 
1 1 1 -4  17 43 o 61.65674 3.286665 188.9799       19.76379 194.4424       21.22283 153.3000       54.23997 62.48465 3.483746 51.58037 11.07411 10.90428       11.60915 
1 1 1 -4  17 44 o 71.10818 3.113666 251.0625       21.61941 263.9128       23.71688 187.9000       52.58119 72.83220 3.335665 58.07298 9.584223 14.75922       10.14810 
1 1 1 -4  17 45 o 52.96321 3.653956 140.4743       18.82668 136.5040       20.46037 162.4000       48.08152 52.07283 4.045898 53.80070 9.476307 -1.727875      10.30387 
1 1 1 -4  17 46 o 16.21561 6.140336 10.42065       13.37745 12.44290       14.13116 -7.034000      41.51605 17.10364 6.344974 21.34994 9.578295 -4.246307      11.48923 
1 1 1 -4  17 47 o 49.62440 3.962184 124.1629       19.08607 124.1629       19.08607 0.000000       0.000000 49.62440 3.962184 ?        ?        ?              ?        
1 1 1 -4  17 48 o 53.29977 3.515249 142.4176       18.23712 138.1661       19.78153 166.5000       47.07994 52.35667 3.887692 54.24087 9.195674 -1.884197      9.983715 
1 1 1 -4  17 49 o 14.91378 6.172106 4.554641       14.70021 4.971683       15.72870 1.675000       41.33067 15.41580 6.382536 22.10971 9.758462 -6.693902      11.66038 
1 1 1 -4  17 50 o 41.46092 4.223741 87.71532       16.90214 81.56992       18.22827 125.4000       45.13908 39.74158 4.781875 45.64660 10.34294 -5.905018      11.39486 
1 1 1 -4  17 51 o 24.89149 6.280996 33.84694       15.30086 27.94958       16.38367 74.09000       42.79844 22.64913 6.826879 34.36268 11.13786 -11.71356      13.06363 
1 1 1 -4  17 52 o 21.80679 6.580386 25.74866       15.21576 23.01826       16.31951 43.91000       42.08890 20.89303 6.884344 28.30723 10.84990 -7.414198      12.84969 
1 1 1 -4  17 53 o 29.16549 5.918955 45.94088       16.31932 46.01833       17.66548 45.49000       42.62223 28.98657 6.397755 28.49945 10.91972 0.4871159      12.65589 
1 1 1 -4  17 54 o 14.30481 6.209226 -0.3087803E-01 16.12753 7.985432       17.52822 -44.26000      41.17227 16.65764 6.799871 17.27312 8.306520 -0.6154785     10.73483 
1 1 1 -4  17 55 o 40.35913 5.274884 85.53106       20.34001 90.82809       22.69214 63.88000       45.87738 41.34653 5.763419 31.88121 11.49434 9.465321       12.85834 
1 1 1 -4  17 56 f 93.55094 4.574074 448.8863       41.75793 448.8863       41.75793 0.000000       0.000000 93.55094 4.574074 ?        ?        ?              ?        
1 1 1 -4  17 57 o 34.92197 6.243997 66.44953       20.56009 62.47205       22.84022 83.44000       47.20623 33.29432 7.217070 35.24002 11.71241 -1.945702      13.75742 
1 1 1 -4  17 58 o 19.69230 7.621590 17.37078       20.91220 24.14000       23.78331 -5.698000      43.90515 21.85604 8.206735 21.02864 9.598972 0.8274040      12.62896 
1 1 1 -4  17 59 o 25.55427 7.402513 37.62615       19.57973 46.31367       21.79469 1.284000       44.57673 28.16923 7.690278 21.76165 9.829713 6.407578       12.48053 
1 1 1 -4  18 1  o 441.7347 9.643433 9602.719       416.9648 9398.000       711.4477 9709.828       514.6102 434.2846 16.76792 443.4103 11.86744 -9.125702      20.54262 
1 1 1 -4  18 2  o 338.3502 6.509456 5617.084       215.5844 5126.000       405.1195 5811.091       254.6322 321.7831 12.88823 343.9913 7.562401 -22.20816      14.94310 
1 1 1 -4  18 3  o 366.0574 8.080204 6584.089       289.5194 6304.000       486.5434 6737.635       360.2395 356.5239 13.96909 369.7897 9.961532 -13.26578      17.15714 
1 1 1 -4  18 4  o 255.0502 5.877342 3190.488       146.7279 2864.000       237.0005 3393.402       186.8410 240.9438 10.07131 262.7873 7.270749 -21.84352      12.42156 
1 1 1 -4  18 5  o 281.3883 7.837786 3893.273       215.6663 3743.000       297.3778 4060.000       313.2362 275.2628 11.05961 286.6699 11.18453 -11.40710      15.72923 
1 1 1 -4  18 6  o 170.6034 4.393065 1427.211       73.29934 1476.000       129.3020 1404.108       88.97742 173.1631 7.647441 169.1342 5.381400 4.028976       9.351087 
1 1 1 -4  18 7  o 295.6906 6.664410 4291.983       192.8881 4361.000       337.7135 4258.568       234.9888 296.9233 11.64235 294.2039 8.167951 2.719452       14.22180 
1 1 1 -4  18 8  o 100.5067 3.698565 495.5285       36.32394 579.2000       66.17788 459.4515       43.45494 108.4586 6.260253 96.70964 4.603753 11.74896       7.770799 
1 1 1 -4  18 9  o 137.3943 3.342113 924.6239       44.94650 875.8000       90.07005 940.8134       51.86581 133.3624 6.923576 138.5216 3.828900 -5.159271      7.911788 
1 1 1 -4  18 10 o 175.0887 4.467950 1503.566       76.50990 1556.000       135.0342 1478.774       92.85233 177.7359 7.780653 173.5450 5.472904 4.190948       9.512689 
1 1 1 -4  18 11 o 144.8299 3.411045 1027.508       48.35617 956.5000       96.62456 1051.235       55.85381 139.3467 7.107576 146.4204 3.900605 -7.073700      8.107549 
1 1 1 -4  18 12 o 151.8615 3.486930 1129.796       51.83191 1209.000       110.3778 1107.390       58.70733 156.6772 7.216682 150.2721 3.994782 6.405106       8.248563 
1 1 1 -4  18 13 o 263.1479 5.201662 3396.907       133.9826 3417.000       270.9156 3390.401       154.1542 262.7724 10.55437 262.7962 5.992804 -0.2380371E-01 12.13707 
1 1 1 -4  18 14 o 143.0970 3.386152 1003.196       47.42893 903.5000       94.69579 1036.580       54.79750 135.3702 7.172225 145.3855 3.854043 -10.01527      8.142140 
1 1 1 -4  18 15 o 126.2307 4.456281 782.2632       54.97456 0.000000       0.000000 782.2632       54.97456 ?        ?        126.2307 4.456281 ?              ?        
1 1 1 -4  18 16 o 70.23508 3.114647 242.1295       21.35933 236.8000       53.38288 243.1453       23.30622 68.87785 8.070909 70.36345 3.393917 -1.485603      8.755468 
1 1 1 -4  18 17 o 43.26241 4.128872 92.59057       17.27248 80.82000       47.45812 94.38776       18.54429 39.92551 11.51248 43.65271 4.400007 -3.727196      12.32466 
1 1 1 -4  18 18 o 287.7546 8.085351 4083.833       227.5080 4254.000       330.7419 3931.000       313.4444 292.5245 11.57387 281.2445 11.40966 11.28000       16.25223 
1 1 1 -4  18 19 o 321.0968 8.901867 5094.102       279.5143 5277.000       405.1625 4928.000       386.1111 325.2108 12.75266 314.3404 12.57428 10.87036       17.90930 
1 1 1 -4  18 20 o 151.5556 7.408142 1134.000       109.5645 0.000000       0.000000 1134.000       109.5645 ?        ?        151.5556 7.408142 ?              ?        
1 1 1 -4  18 21 o 76.13645 5.624699 286.3542       41.62179 241.8000       59.73355 328.4000       58.02770 69.37668 9.008812 81.31345 7.370639 -11.93678      11.63980 
1 1 1 -4  18 22 o 184.3730 5.883291 1673.118       106.0395 1772.000       155.9072 1588.000       144.6497 189.1917 8.440198 179.1209 8.272552 10.07083       11.81829 
1 1 1 -4  18 23 o 122.6060 5.126144 739.7226       61.38322 701.2000       86.44544 778.9000       87.17715 118.9990 7.459035 125.5043 7.125670 -6.505386      10.31564 
1 1 1 -4  18 24 o 234.9764 6.927287 2725.090       159.1546 2618.000       220.3015 2842.000       230.1806 229.3325 9.836861 238.9481 9.862647 -9.615631      13.92967 
1 1 1 -4  18 25 o 301.7088 8.504850 4514.505       250.9154 4579.000       359.1348 4453.000       350.7111 301.7810 12.18297 297.6722 12.06161 4.108826       17.14372 
1 1 1 -4  18 26 o 253.7449 7.386837 3187.192       183.2734 3053.000       253.5587 3334.000       265.2093 246.9119 10.51540 258.0393 10.52225 -11.12733      14.87586 
1 1 1 -4  18 27 o 85.54813 5.412158 361.9156       45.08741 406.3000       67.06017 325.3000       60.90916 90.21519 7.666694 80.62048 7.816425 9.594711       10.94873 
1 1 1 -4  18 28 o 112.2488 5.133116 622.0389       56.24942 672.5000       83.01181 579.2000       76.48571 116.2100 7.335194 107.8268 7.289667 8.383232       10.34139 
1 1 1 -4  18 29 o 82.34290 5.513357 336.2383       44.18133 331.6000       65.54754 340.1000       59.80961 81.08227 8.379535 82.36430 7.500873 -1.282028      11.24632 
1 1 1 -4  18 30 o 87.01518 5.372635 375.5586       45.53711 314.2000       64.50932 436.5000       64.28965 78.74545 8.504063 93.39626 7.085291 -14.65082      11.06889 
1 1 1 -4  18 31 o 114.5063 5.117342 649.4162       57.21125 691.5000       84.95981 614.5000       77.38721 117.4061 7.431058 110.7426 7.177845 6.663483       10.33161 
1 1 1 -4  18 32 o 101.9391 5.199084 515.8516       51.70553 465.8000       73.88084 563.9000       72.38735 95.94924 7.937500 105.9925 7.016703 -10.04321      10.59424 
1 1 1 -4  18 33 o 90.29080 7.852503 413.9000       68.71019 413.9000       68.71019 0.000000       0.000000 90.29080 7.852503 ?        ?        ?              ?        
1 1 1 -4  18 34 o 64.00217 9.749501 215.1000       59.15122 215.1000       59.15122 0.000000       0.000000 64.00217 9.749501 ?        ?        ?              ?        
1 1 1 -4  18 35 o 84.69311 5.426208 358.7267       44.74660 363.1000       66.45829 355.1000       60.52021 84.09091 8.177238 83.46610 7.487172 0.6248093      11.08715 
1 1 1 -4  18 36 f 95.86006 7.364958 468.4000       68.57639 0.000000       0.000000 468.4000       68.57639 ?        ?        95.86006 7.364958 ?              ?        
1 1 1 -4  18 37 o 147.5682 5.523877 1090.618       79.64815 1180.000       118.0801 1016.000       107.8877 151.6501 7.982888 140.7907 7.859936 10.85938       11.20291 
1 1 1 -4  18 38 o 41.74121 9.618626 94.47980       38.49164 39.27000       56.82164 141.3000       52.32657 31.61216 12.46704 50.69600 10.87115 -19.08385      16.54112 
1 1 1 -4  18 39 o 77.98425 5.993874 308.1852       45.40236 284.3000       68.39777 327.0000       60.70555 72.83450 9.845901 79.35822 7.920713 -6.523727      12.63643 
1 1 1 -4  18 40 o 90.77479 5.653543 416.4889       49.98400 429.2000       74.33782 406.0000       67.52795 90.39434 8.501412 88.31219 7.895088 2.082146       11.60200 
1 1 1 -4  18 41 o 53.55180 7.881773 151.8543       40.08012 206.5000       61.10883 110.6000       53.09581 60.89086 10.63995 43.57580 12.04593 17.31506       16.07212 
1 1 1 -4  18 42 o 58.47493 7.242536 179.6854       40.56861 128.4000       59.58619 224.0000       55.38885 46.14458 12.76284 64.20979 9.064686 -18.06520      15.65435 
1 1 1 -4  18 43 o 89.98993 5.422465 412.7866       47.54198 383.4000       68.30535 440.4000       66.21252 84.44294 8.374095 91.36637 7.468795 -6.923431      11.22089 
1 1 1 -4  18 44 o 34.40928 9.449860 67.32076       32.79686 75.30000       49.41809 61.04000       43.84410 35.67284 11.98609 32.77103 11.28535 2.901814       16.46285 
1 1 1 -4  18 45 o 68.17410 5.935281 240.6580       39.21214 261.1000       59.32669 224.8000       52.25307 68.67991 9.044609 64.06483 8.545644 4.615074       12.44319 
1 1 1 -4  18 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  18 47 o 73.93015 5.675426 282.9357       40.75608 298.1000       61.26910 270.9000       54.58400 73.31490 8.707627 70.44279 8.061319 2.872101       11.86624 
1 1 1 -4  18 48 o 24.91589 10.41536 20.70000       42.46628 0.000000       0.000000 20.70000       42.46628 ?        ?        24.91589 10.41536 ?              ?        
1 1 1 -4  18 49 o 46.05854 7.932202 117.8153       34.47079 159.4000       52.40921 86.11000       45.76219 51.34762 10.77183 37.01665 11.45920 14.33097       15.72722 
1 1 1 -4  18 50 o 25.02054 9.487246 31.57163       31.96074 24.94000       49.75614 36.23000       41.70171 26.26990 11.14333 26.98079 10.66789 -0.7108879     15.42652 
1 1 1 -4  18 51 o 29.64569 9.677956 51.95916       32.28310 39.78000       49.25718 61.13000       42.74305 28.16855 11.43616 31.56451 11.12532 -3.395954      15.95489 
1 1 1 -4  18 52 o 24.97248 9.378158 32.31877       31.05967 39.68000       44.68858 25.44000       43.19929 27.68688 11.01240 25.29464 10.53398 2.392242       15.23935 
1 1 1 -4  18 53 o 22.93061 9.152281 22.70890       30.97224 15.82000       44.00786 29.47000       43.59774 23.99797 10.33632 25.88226 10.66226 -1.884296      14.85003 
1 1 1 -4  18 54 o 34.29221 9.473490 70.93575       32.85155 60.32000       48.47874 79.95000       44.67254 31.22785 11.71871 35.14240 11.37819 -3.914557      16.33375 
1 1 1 -4  18 55 o 17.62099 8.100509 -13.06168      32.01533 15.97000       46.10787 -40.09000      44.48857 24.20785 10.50337 18.32948 8.766690 5.878372       13.68122 
1 1 1 -4  18 56 o 27.79978 9.662012 45.41851       32.16843 81.46000       46.05362 11.08000       44.95242 35.11038 11.56468 23.37989 10.25292 11.73049       15.45523 
1 1 1 -4  18 57 o 32.63515 11.47683 70.60000       45.46804 0.000000       0.000000 70.60000       45.46804 ?        ?        32.63515 11.47683 ?              ?        
1 1 1 -4  18 58 o 35.09746 9.420739 76.65108       33.03881 68.23000       46.28414 85.40000       47.17651 31.75209 11.53172 35.00934 11.71043 -3.257252      16.43517 
1 1 1 -4  19 1  o 233.5616 6.737383 2680.634       153.8668 0.000000       0.000000 2680.634       153.8668 ?        ?        233.5616 6.737383 ?              ?        
1 1 1 -4  19 2  o 283.5233 7.912985 3954.844       219.3868 3820.000       302.7255 4104.000       318.3861 277.9270 11.15050 288.0450 11.31444 -10.11798      15.88554 
1 1 1 -4  19 3  o 260.7635 5.189400 3334.378       132.4556 3070.000       251.2460 3436.141       155.8769 249.2893 10.31880 264.6241 6.017917 -15.33481      11.94542 
1 1 1 -4  19 4  o 281.5809 6.396547 3892.058       176.3011 3759.000       298.6402 3963.237       218.4241 275.6861 11.08956 283.8192 7.869950 -8.133148      13.59833 
1 1 1 -4  19 5  o 328.7031 7.323436 5308.935       235.6269 5493.000       417.9011 5223.146       285.3012 332.7455 12.85502 325.5953 8.960505 7.150208       15.66979 
1 1 1 -4  19 6  o 170.5595 4.346014 1426.684       72.49687 1470.000       129.2583 1406.804       87.56665 172.7584 7.662935 169.2814 5.291232 3.476944       9.312234 
1 1 1 -4  19 7  o 179.7342 4.536510 1584.542       79.74649 1529.000       135.6669 1613.864       98.57436 176.1551 7.888155 181.2900 5.561574 -5.134918      9.651637 
1 1 1 -4  19 8  o 183.7084 3.949872 1653.755       71.02615 1688.000       145.1297 1642.969       81.44633 185.0716 8.030550 183.0718 4.545105 1.999863       9.227551 
1 1 1 -4  19 9  o 215.9661 4.445847 2286.393       93.98235 2192.000       184.7339 2319.355       109.1653 210.7502 8.975694 217.4591 5.128624 -6.708969      10.33759 
1 1 1 -4  19 10 o 304.7138 5.919464 4557.846       176.5553 4611.000       357.2111 4540.664       203.0973 304.8478 11.99455 303.9893 6.825579 0.8585205      13.80065 
1 1 1 -4  19 11 o 110.4167 3.101294 597.6677       33.48526 672.6000       74.49128 578.6920       37.48612 116.8270 6.540235 108.6216 3.530413 8.205421       7.432260 
1 1 1 -4  19 12 o 152.3561 3.528140 1137.350       52.61527 1185.000       110.7434 1123.459       59.79507 155.0516 7.317496 151.3421 4.040062 3.709473       8.358699 
1 1 1 -4  19 13 o 122.2212 3.849918 732.8524       46.00047 870.9000       87.20158 679.6252       54.14729 132.9407 6.723144 117.6217 4.712626 15.31894       8.210329 
1 1 1 -4  19 14 o 96.88576 3.798547 460.7672       35.95350 505.8000       66.29270 442.0017       42.79384 101.2125 6.729753 94.82025 4.624725 6.392273       8.165639 
1 1 1 -4  19 15 o 161.1557 4.154975 1274.167       65.48745 1292.000       120.0226 1266.607       78.14463 161.8218 7.598612 160.5916 4.977311 1.230255       9.083641 
1 1 1 -4  19 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  19 17 o 124.6840 3.848330 762.8174       46.91037 862.7000       91.03655 726.7080       54.73694 132.2177 7.059879 121.6251 4.606133 10.59261       8.429612 
1 1 1 -4  19 18 o 183.1831 5.844757 1650.412       104.6651 1712.000       152.8217 1596.000       143.6419 186.0871 8.411758 179.7074 8.187503 6.379715       11.73852 
1 1 1 -4  19 19 o 294.7295 11.78802 4330.000       339.3859 0.000000       0.000000 4330.000       339.3859 ?        ?        294.7295 11.78802 ?              ?        
1 1 1 -4  19 20 o 169.9156 5.628413 1420.394       93.48151 1450.000       134.8458 1393.000       129.7094 171.2128 8.068977 167.8397 7.917654 3.373154       11.30476 
1 1 1 -4  19 21 o 190.5979 5.998511 1788.549       111.7704 1771.000       158.2883 1806.000       157.8470 189.0748 8.575134 190.9668 8.465512 -1.891998      12.04981 
1 1 1 -4  19 22 o 230.5522 6.831451 2621.804       153.9959 2636.000       219.3200 2608.000       216.2780 230.2523 9.753327 229.0553 9.668158 1.197067       13.73320 
1 1 1 -4  19 23 o 214.5675 6.492690 2270.865       136.2056 2130.000       186.7392 2431.000       199.1021 206.9726 9.240871 221.1480 9.218068 -14.17538      13.05245 
1 1 1 -4  19 24 o 141.9999 5.321601 993.2652       73.83588 975.2000       104.9048 1011.000       103.9413 140.2130 7.672899 142.8221 7.460963 -2.609177      10.70230 
1 1 1 -4  19 25 o 204.6127 6.311653 2067.369       126.2590 2276.000       189.8761 1902.000       169.0476 213.6888 9.098663 195.4040 8.861373 18.28474       12.70077 
1 1 1 -4  19 26 o 131.9692 5.182332 858.9211       66.81265 925.4000       99.38372 804.1000       90.24999 136.4373 7.470265 127.2051 7.278691 9.232292       10.42997 
1 1 1 -4  19 27 o 171.5340 5.721594 1453.864       95.93241 1367.000       133.0233 1548.000       138.4790 165.4800 8.238417 176.1954 8.050672 -10.71541      11.51889 
1 1 1 -4  19 28 o 153.8766 5.440924 1170.511       81.82152 1139.000       114.8395 1203.000       116.6070 150.9977 7.796287 155.2312 7.698328 -4.233551      10.95657 
1 1 1 -4  19 29 o 154.2199 5.465645 1177.394       82.37601 1249.000       121.7839 1117.000       111.8443 157.8778 7.905816 149.3829 7.674760 8.494873       11.01834 
1 1 1 -4  19 30 o 88.33157 5.467448 387.7299       47.04060 308.4000       67.05553 464.6000       66.00777 77.70425 8.981373 96.26040 7.054522 -18.55615      11.42065 
1 1 1 -4  19 31 o 35.76604 9.697134 67.37646       34.79457 73.68000       52.35549 62.39000       46.56572 37.86808 12.32218 35.19324 11.63042 2.674839       16.94411 
1 1 1 -4  19 32 o 76.89211 8.656078 303.4000       64.01866 303.4000       64.01866 0.000000       0.000000 76.89211 8.656078 ?        ?        ?              ?        
1 1 1 -4  19 33 o 87.08804 5.561640 379.0933       47.16199 308.5000       64.26234 461.5000       69.43143 77.37228 8.632126 95.34322 7.500126 -17.97094      11.43527 
1 1 1 -4  19 34 o 47.56631 7.988219 117.7666       35.87545 29.28000       52.69778 194.2000       48.97735 29.82192 11.92633 61.19854 8.397327 -31.37662      14.58603 
1 1 1 -4  19 35 o 132.2284 7.382753 889.2000       95.17471 0.000000       0.000000 889.2000       95.17471 ?        ?        132.2284 7.382753 ?              ?        
1 1 1 -4  19 36 o 67.68943 6.359068 232.5883       41.63935 177.0000       60.76456 281.8000       57.17327 56.78493 11.32961 73.81033 8.043504 -17.02539      13.89454 
1 1 1 -4  19 37 o 43.50311 9.262721 101.8568       38.23224 47.82000       57.45445 144.8000       51.21840 32.98902 12.66844 51.50650 10.51528 -18.51748      16.46391 
1 1 1 -4  19 38 o 117.5758 5.330088 693.8857       61.18254 784.0000       93.10631 625.4000       81.16753 123.3103 7.753135 110.2203 7.569362 13.09000       10.83542 
1 1 1 -4  19 39 o 73.64082 6.142364 276.0519       43.87234 313.2000       67.30092 248.6000       57.85469 76.76627 9.135628 68.47614 8.837504 8.290138       12.71067 
1 1 1 -4  19 40 f 80.53706 5.938718 330.3670       46.48675 402.9000       71.99361 278.5000       60.87956 87.23912 8.540232 72.25608 8.788296 14.98304       12.25437 
1 1 1 -4  19 41 o 45.12334 8.979727 111.7472       38.26621 75.18000       56.46806 142.8000       52.03637 36.37469 12.79015 49.96568 10.94331 -13.59099      16.83283 
1 1 1 -4  19 42 f 37.85481 9.788215 81.57423       36.53502 -4.387000      53.63302 156.0000       49.90483 24.53238 10.95500 52.52110 10.07376 -27.98872      14.88263 
1 1 1 -4  19 43 o 33.14785 9.542784 62.35221       32.63258 72.87000       48.46639 53.63000       44.13587 35.23173 11.87029 31.34324 11.27744 3.888496       16.37329 
1 1 1 -4  19 44 o 59.40100 6.358056 184.5009       36.39349 213.5000       54.20555 160.7000       49.10758 61.90575 9.226971 53.17483 9.795706 8.730923       13.45707 
1 1 1 -4  19 45 o 31.42534 11.65207 54.56000       47.64576 54.56000       47.64576 0.000000       0.000000 31.42534 11.65207 ?        ?        ?              ?        
1 1 1 -4  19 46 o 43.41964 8.328251 104.9006       34.10809 87.17000       50.94952 119.3000       45.91466 37.40197 12.15453 44.77008 10.63588 -7.368107      16.15099 
1 1 1 -4  19 47 o 36.64031 11.68633 83.52000       47.24848 0.000000       0.000000 83.52000       47.24848 ?        ?        36.64031 11.68633 ?              ?        
1 1 1 -4  19 48 o 25.10040 9.484134 31.13263       31.87393 122.1000       46.88312 -47.05000      43.46391 44.80202 10.81494 17.86654 8.577002 26.93547       13.80318 
1 1 1 -4  19 49 o 27.75828 9.629984 43.77009       31.94854 72.92000       49.26957 22.62000       41.96782 33.90400 11.94499 24.84036 10.36671 9.063631       15.81618 
1 1 1 -4  19 50 o 26.92669 9.651470 40.51477       32.29192 24.92000       51.00115 50.95000       41.71972 26.31218 11.22571 29.54240 10.91258 -3.230215      15.65571 
1 1 1 -4  19 51 o 41.95732 8.470965 100.8558       33.58937 61.50000       48.61666 136.8000       46.46166 31.65922 11.76428 47.48333 10.29388 -15.82411      15.63209 
1 1 1 -4  19 52 o 28.13468 9.567993 46.14672       31.49278 46.03000       44.87551 46.26000       44.20705 28.69013 11.14803 28.68814 11.08724 0.1983643E-02  15.72277 
1 1 1 -4  19 53 f 47.07852 7.871125 124.6632       34.99200 78.12000       49.33012 171.8000       49.64369 34.44915 11.96536 53.61687 9.821051 -19.16772      15.47976 
1 1 1 -4  19 54 o 16.83872 7.836888 -18.51551      31.35967 -40.41000      45.52422 1.256000       43.26085 18.58185 8.882167 21.98030 9.825459 -3.398447      13.24509 
1 1 1 -4  19 55 o 35.71883 9.429235 77.43512       33.44537 51.02000       47.59639 103.2000       47.00691 29.39251 11.46398 39.54488 11.47412 -10.15237      16.21969 
1 1 1 -4  19 56 o 24.76014 10.49175 23.87000       44.02860 0.000000       0.000000 23.87000       44.02860 ?        ?        24.76014 10.49175 ?              ?        
1 1 1 -4  19 57 o 32.71438 9.577399 66.82238       32.62099 112.0000       47.03754 24.96000       45.27880 40.79513 11.36095 24.84521 10.58783 15.94992       15.52975 
1 1 1 -4  19 58 o 20.26153 8.664814 10.82366       30.51532 31.07000       43.41787 -8.940000      42.89719 25.33330 10.55618 20.33084 9.357325 5.002455       14.10647 
1 1 1 -4  20 1  o 156.2103 3.631488 1195.523       55.52654 1183.000       110.6004 1199.744       64.20436 154.9685 7.311954 156.4018 4.197680 -1.433334      8.431204 
1 1 1 -4  20 2  o 255.0205 7.247910 3199.043       180.7396 0.000000       0.000000 3199.043       180.7396 ?        ?        255.0205 7.247910 ?              ?        
1 1 1 -4  20 3  o 241.6063 6.940489 2870.507       163.9662 2875.000       231.6990 2866.000       232.0678 241.2208 9.833646 240.8350 9.865281 0.3858032      13.92926 
1 1 1 -4  20 4  f 278.9866 5.500906 3818.883       150.2186 3611.000       289.2663 3895.647       175.7793 270.0637 10.96553 281.6551 6.375937 -11.59140      12.68445 
1 1 1 -4  20 5  o 265.3607 6.090095 3457.120       158.1855 3374.000       270.1265 3500.500       195.1459 261.1149 10.59087 266.7039 7.482613 -5.588989      12.96749 
1 1 1 -4  20 6  o 312.0611 7.007869 4786.380       214.0582 4590.000       360.1584 4893.640       266.1719 304.0737 12.12496 315.0744 8.638789 -11.00070      14.88769 
1 1 1 -4  20 7  o 165.2720 4.286464 1339.915       69.28478 1234.000       116.7411 1397.508       86.08511 158.2075 7.560475 168.6961 5.219628 -10.48868      9.187236 
1 1 1 -4  20 8  o 149.4313 4.128709 1095.383       60.33171 1218.000       110.4861 1043.287       72.01653 157.2212 7.198538 145.7463 5.055762 11.47493       8.796573 
1 1 1 -4  20 9  o 48.53608 3.798318 116.1529       17.90159 184.9000       44.80371 103.0928       19.52811 60.82114 7.697963 45.64139 4.426665 15.17975       8.879977 
1 1 1 -4  20 10 o 346.6384 6.659306 5905.933       225.9498 6344.000       476.1965 5778.651       256.6848 356.5786 13.66877 342.6481 7.653244 13.93054       15.66549 
1 1 1 -4  20 11 o 128.8701 3.293764 814.1993       41.51403 794.2000       86.50476 820.1835       47.31911 126.8904 6.991765 129.3108 3.742420 -2.420403      7.930353 
1 1 1 -4  20 12 o 204.8256 4.277734 2057.107       85.76384 2164.000       179.6040 2025.533       97.61166 209.2714 8.787541 203.1876 4.907929 6.083832       10.06522 
1 1 1 -4  20 13 o 90.48043 3.016320 401.4966       26.67662 481.6000       63.62033 384.4084       29.38461 98.75255 6.619989 88.50669 3.398170 10.24586       7.441224 
1 1 1 -4  20 14 o 127.7147 4.765545 801.3575       59.46992 775.5000       86.14578 824.9000       82.19928 125.3464 7.049685 129.3673 6.512327 -4.020935      9.597315 
1 1 1 -4  20 15 o 156.1154 5.148222 1197.631       78.56242 1156.000       112.6882 1237.000       109.5849 153.0183 7.546939 158.3807 7.086689 -5.362381      10.35265 
1 1 1 -4  20 16 o 356.1906 6.827710 6242.935       238.0475 6258.000       479.8497 6238.016       274.1623 353.3833 13.89955 355.7341 7.873647 -2.350800      15.97473 
1 1 1 -4  20 17 o 198.8885 4.795485 1941.393       93.35735 0.000000       0.000000 1941.393       93.35735 ?        ?        198.8885 4.795485 ?              ?        
1 1 1 -4  20 18 o 140.6495 7.249705 977.3000       99.47108 0.000000       0.000000 977.3000       99.47108 ?        ?        140.6495 7.249705 ?              ?        
1 1 1 -4  20 19 f 128.0087 5.148343 806.1874       64.37634 786.4000       92.08860 825.1000       90.03009 126.0542 7.497364 129.1935 7.147211 -3.139206      10.35824 
1 1 1 -4  20 20 o 95.07146 5.241323 445.4533       48.58627 425.0000       69.87370 464.6000       67.60517 92.46219 7.792937 96.81014 7.185555 -4.347954      10.60010 
1 1 1 -4  20 21 o 238.6470 7.013562 2811.541       163.6551 2644.000       223.5573 3005.000       240.2273 230.4208 9.935338 245.6416 10.01210 -15.22078      14.10508 
1 1 1 -4  20 22 o 373.1639 10.30542 6945.200       376.0585 7470.000       559.5891 6513.000       507.8253 383.0919 14.95184 358.0710 14.51913 25.02087       20.84137 
1 1 1 -4  20 23 o 101.0582 5.225975 503.7400       51.51900 533.4000       75.42583 477.8000       70.53733 103.5848 7.489633 98.02630 7.406191 5.558517       10.53310 
1 1 1 -4  20 24 o 195.1349 6.135252 1880.263       117.0398 1822.000       164.4954 1940.000       166.5626 191.1838 8.813871 197.3578 8.643136 -6.174042      12.34456 
1 1 1 -4  20 25 o 137.2686 5.272128 929.7081       70.70583 962.3000       103.7071 901.4000       96.65164 139.0429 7.649443 134.6422 7.361690 4.400772       10.61642 
1 1 1 -4  20 26 o 159.1094 5.544501 1250.761       86.21848 1230.000       122.7137 1271.000       121.1637 156.9809 8.012706 159.6720 7.775809 -2.691101      11.16542 
1 1 1 -4  20 27 o 118.5934 5.151231 695.2835       59.65414 697.6000       86.69048 693.2000       82.21472 118.1228 7.537079 117.8693 7.159715 0.2534561      10.39563 
1 1 1 -4  20 28 o 144.4498 5.326757 1032.826       75.18682 969.9000       104.2641 1101.000       108.5242 139.1266 7.686164 148.3382 7.498569 -9.211624      10.73805 
1 1 1 -4  20 29 o 145.4500 5.398744 1048.824       76.72881 971.2000       106.9976 1131.000       110.0903 138.9411 7.900059 150.1590 7.514041 -11.21791      10.90283 
1 1 1 -4  20 30 o 71.29842 5.945843 254.3812       41.11797 243.2000       60.63527 263.9000       55.94650 68.64589 9.260063 71.97851 8.080145 -3.332619      12.28973 
1 1 1 -4  20 31 o 120.1826 7.540049 729.7000       88.25270 729.7000       88.25270 0.000000       0.000000 120.1826 7.540049 ?        ?        ?              ?        
1 1 1 -4  20 32 o 90.70226 5.300625 410.3894       46.85485 404.8000       67.45657 415.6000       65.13017 89.10634 7.813076 90.47051 7.419906 -1.364174      10.77493 
1 1 1 -4  20 33 o 117.7171 5.111564 690.3052       58.75749 694.3000       85.31159 686.7000       81.04386 116.8917 7.495711 116.4433 7.144892 0.4484711      10.35544 
1 1 1 -4  20 34 o 118.7581 7.291968 717.2000       84.35587 0.000000       0.000000 717.2000       84.35587 ?        ?        118.7581 7.291968 ?              ?        
1 1 1 -4  20 35 o 53.37527 7.342027 147.1937       37.34335 127.3000       55.36341 163.8000       50.58273 47.75121 11.89061 55.35680 9.687945 -7.605598      15.33763 
1 1 1 -4  20 36 o 66.43941 6.445282 224.7534       41.38947 171.1000       60.65712 271.5000       56.61845 55.56429 11.53077 72.28840 8.143233 -16.72411      14.11633 
1 1 1 -4  20 37 o 63.55762 6.630107 206.8848       40.64136 251.9000       62.49695 173.9000       53.49779 68.67571 9.555607 56.64375 10.01517 12.03197       13.84245 
1 1 1 -4  20 38 o 18.96127 8.585247 -14.65210      34.24514 -3.508000      53.82708 -22.23000      44.38667 25.30017 11.15277 21.03291 9.620096 4.267265       14.72856 
1 1 1 -4  20 39 o 53.14669 7.903580 149.4572       39.86603 47.97000       57.24929 245.0000       55.54738 32.35308 12.58586 67.88264 8.549038 -35.52956      15.21479 
1 1 1 -4  20 40 o 53.68945 7.640602 152.7236       39.02140 141.5000       58.00845 162.0000       52.73667 48.97304 12.15774 53.68775 10.41114 -4.714706      16.00632 
1 1 1 -4  20 41 o 29.96263 10.20762 48.64599       35.84635 109.5000       54.24882 1.483000       47.75803 42.55171 12.32035 24.00404 10.54603 18.54767       16.21758 
1 1 1 -4  20 42 o 60.49656 6.549870 191.3087       38.16761 187.5000       56.52761 194.5000       51.74343 57.23153 10.47660 59.25741 9.220656 -2.025879      13.95635 
1 1 1 -4  20 43 o 53.45627 6.971217 151.6634       35.60835 101.6000       51.56456 197.3000       49.23200 40.64789 12.07866 59.90460 8.646082 -19.25671      14.85425 
1 1 1 -4  20 44 o 39.04686 11.82063 93.76000       49.04315 93.76000       49.04315 0.000000       0.000000 39.04686 11.82063 ?        ?        ?              ?        
1 1 1 -4  20 45 o 25.89296 9.437476 34.24991       31.03827 50.79000       46.02217 20.45000       42.03744 30.50938 11.42440 24.99485 10.39881 5.514532       15.44837 
1 1 1 -4  20 46 o 54.61100 9.597304 171.2000       49.43071 0.000000       0.000000 171.2000       49.43071 ?        ?        54.61100 9.597304 ?              ?        
1 1 1 -4  20 47 o 27.43594 9.619743 41.49392       31.92780 4.516000       45.21463 78.27000       45.09107 23.20913 10.22670 35.53125 11.42502 -12.32211      15.33351 
1 1 1 -4  20 48 o 52.82572 10.05176 165.4000       50.07653 0.000000       0.000000 165.4000       50.07653 ?        ?        52.82572 10.05176 ?              ?        
1 1 1 -4  20 49 o 52.23239 7.077887 148.5851       35.25647 148.2000       52.56348 148.9000       47.53519 48.57700 11.27275 49.83482 10.09136 -1.257813      15.12978 
1 1 1 -4  20 50 o 31.42733 9.654260 59.26429       32.55649 69.82000       49.45291 51.19000       43.25142 33.09324 11.93352 29.60313 11.07718 3.490107       16.28229 
1 1 1 -4  20 51 o 35.18266 9.056707 73.43197       31.37325 61.24000       44.82462 85.14000       43.92598 31.40173 11.35631 36.36345 11.22180 -4.961718      15.96542 
1 1 1 -4  20 52 o 35.68764 9.243113 76.22016       32.54283 121.2000       47.55030 36.59000       44.63312 43.58190 11.11368 27.02656 10.91739 16.55534       15.57894 
1 1 1 -4  20 53 o 39.54214 9.052678 92.52650       34.28072 71.40000       48.98755 112.8000       47.98841 33.12580 11.88579 41.63644 11.42929 -8.510647      16.48941 
1 1 1 -4  20 54 o 18.95403 8.426338 -1.014835      31.36793 -11.61000      44.86184 9.120000       43.87646 20.83554 9.582174 22.92941 10.08993 -2.093874      13.91491 
1 1 1 -4  20 55 o 27.54219 10.94496 41.55000       44.10445 0.000000       0.000000 41.55000       44.10445 ?        ?        27.54219 10.94496 ?              ?        
1 1 1 -4  20 56 o 25.55128 9.508723 36.74831       31.78372 83.87000       45.64127 -7.619000      44.28725 35.14600 11.50943 20.90879 9.580576 14.23721       14.97513 
1 1 1 -4  20 57 o 23.56262 9.240396 28.55388       31.06279 43.23000       44.48605 14.59000       43.39317 27.25717 10.93827 23.04546 10.09078 4.211704       14.88186 
1 1 1 -4  21 1  o 141.6618 3.487690 983.2756       48.36118 965.5000       96.75790 989.1949       55.83584 139.9503 7.086339 142.0043 4.021080 -2.054001      8.147717 
1 1 1 -4  21 2  o 196.0381 4.182106 1883.950       80.24940 1883.000       160.9130 1884.265       92.58472 195.3199 8.436530 196.0013 4.825855 -0.6813812     9.719254 
1 1 1 -4  21 3  o 115.4440 3.854383 653.8959       43.49337 750.0000       79.55904 612.9318       51.94223 123.3628 6.612855 111.6895 4.762115 11.67334       8.149086 
1 1 1 -4  21 4  o 151.5415 5.111814 1128.000       75.71652 0.000000       0.000000 1128.000       75.71652 ?        ?        151.5415 5.111814 ?              ?        
1 1 1 -4  21 5  o 64.84677 5.516280 207.8881       34.68189 184.0000       47.90479 234.2000       50.27632 60.56223 8.299164 68.56901 7.619321 -8.006783      11.26633 
1 1 1 -4  21 6  o 100.1472 3.831109 492.2832       37.48590 442.4000       64.33866 517.9191       46.12318 94.59252 6.998352 102.6613 4.601630 -8.068756      8.375675 
1 1 1 -4  21 7  o 163.3015 5.324717 1310.217       84.99860 1324.000       121.4849 1297.000       118.9670 163.8322 7.596276 162.1630 7.515383 1.669159       10.68571 
1 1 1 -4  21 8  o 327.6153 7.318805 5281.676       234.6986 5506.000       419.4267 5179.417       283.1846 332.3575 12.91731 323.8749 8.941324 8.482635       15.71000 
1 1 1 -4  21 9  o 150.4501 4.211344 1110.710       61.95724 1354.000       118.8945 1020.014       72.59293 165.7048 7.348554 144.0753 5.155840 21.62955       8.976855 
1 1 1 -4  21 10 o 239.5754 4.847738 2816.082       113.6809 2804.000       227.9686 2820.080       131.1512 237.9488 9.808834 239.6467 5.591067 -1.697906      11.29041 
1 1 1 -4  21 11 o 68.80712 3.247855 232.4904       21.81266 352.7000       55.57012 210.5955       23.71609 84.41219 6.782629 65.44304 3.717606 18.96915       7.734639 
1 1 1 -4  21 12 o 113.5333 3.184145 632.0560       35.35032 655.6000       77.02949 625.7745       39.78751 115.2357 6.860153 112.9368 3.603804 2.298859       7.749136 
1 1 1 -4  21 13 o 117.6502 3.652239 679.1115       42.00797 641.9000       78.30415 694.1487       49.77730 113.9850 7.052825 118.8918 4.284338 -4.906784      8.252145 
1 1 1 -4  21 14 o 117.9766 3.190466 682.5146       36.80928 829.6000       86.53633 650.0233       40.67219 129.6560 6.842897 115.0999 3.614558 14.55615       7.738881 
1 1 1 -4  21 15 o 136.1178 4.871656 910.6237       64.80325 978.6000       99.07673 859.8000       85.66954 140.7679 7.214610 132.0161 6.651119 8.751846       9.812644 
1 1 1 -4  21 16 o 64.62691 4.013359 205.6269       25.26267 0.000000       0.000000 205.6269       25.26267 ?        ?        64.62691 4.013359 ?              ?        
1 1 1 -4  21 17 o 160.1727 4.118172 1259.394       64.51173 0.000000       0.000000 1259.394       64.51173 ?        ?        160.1727 4.118172 ?              ?        
1 1 1 -4  21 18 o 142.1529 5.240514 994.2466       72.79339 1053.000       107.0425 943.7000       99.28542 145.8962 7.520976 138.1263 7.370181 7.769928       10.53018 
1 1 1 -4  21 19 o 157.7572 5.441016 1225.126       83.89281 1208.000       119.0849 1242.000       118.2047 156.1685 7.815185 158.3961 7.646607 -2.227661      10.93379 
1 1 1 -4  21 20 o 167.4816 5.598792 1381.620       91.65514 1322.000       127.6834 1445.000       131.6474 163.2763 8.013709 170.7513 7.898051 -7.475006      11.25161 
1 1 1 -4  21 21 o 184.3541 5.925231 1675.808       106.7825 1624.000       150.0281 1729.000       152.0180 180.7672 8.502867 186.5832 8.344811 -5.816010      11.91363 
1 1 1 -4  21 22 o 36.30795 9.848093 67.96686       35.87761 36.09000       52.60988 95.68000       49.05377 31.75821 12.14093 42.89837 11.46338 -11.14016      16.69764 
1 1 1 -4  21 23 o 171.9293 5.698179 1458.957       95.76168 1474.000       138.0355 1445.000       132.9619 172.0372 8.220925 170.4132 7.993363 1.624023       11.46636 
1 1 1 -4  21 24 o 119.0744 5.050728 699.6794       58.73421 764.0000       87.26003 646.4000       79.41813 123.9158 7.225544 113.9655 7.155456 9.950294       10.16902 
1 1 1 -4  21 25 o 66.28656 6.141055 219.1661       39.39212 184.2000       56.74049 251.7000       54.73153 59.74182 10.06011 70.62667 8.061219 -10.88485      12.89143 
1 1 1 -4  21 26 o 82.79343 5.524338 340.2699       44.51337 309.9000       64.80359 367.4000       61.24949 78.20020 8.608355 85.58591 7.383409 -7.385712      11.34101 
1 1 1 -4  21 27 o 129.4972 5.216741 830.2776       65.98970 806.5000       93.18231 854.2000       93.46539 126.8349 7.539678 130.6241 7.339586 -3.789230      10.52218 
1 1 1 -4  21 28 o 109.3294 5.180207 592.7753       55.27813 558.6000       79.09846 625.4000       77.28331 105.2770 7.729772 111.6676 7.107422 -6.390633      10.50071 
1 1 1 -4  21 29 o 120.8147 5.161922 724.3487       60.90251 699.5000       86.65798 748.6000       85.60990 117.7971 7.555509 122.0381 7.198727 -4.241028      10.43587 
1 1 1 -4  21 30 o 56.06413 10.20083 166.3000       53.91763 166.3000       53.91763 0.000000       0.000000 56.06413 10.20083 ?        ?        ?              ?        
1 1 1 -4  21 31 o 98.84955 5.103201 486.6652       49.20972 434.9000       68.92094 540.5000       70.28523 92.40958 7.689131 103.4218 6.983933 -11.01221      10.38740 
1 1 1 -4  21 32 o 75.87201 7.616052 294.5000       55.79698 0.000000       0.000000 294.5000       55.79698 ?        ?        75.87201 7.616052 ?              ?        
1 1 1 -4  21 33 o 68.70251 8.224653 244.5000       54.21130 0.000000       0.000000 244.5000       54.21130 ?        ?        68.70251 8.224653 ?              ?        
1 1 1 -4  21 34 o 109.5465 5.183935 600.0662       55.42816 581.4000       79.41078 617.8000       77.40232 106.4951 7.669413 110.0706 7.224098 -3.575485      10.53601 
1 1 1 -4  21 35 o 61.94801 6.565284 195.9714       39.20427 115.1000       55.83717 274.6000       55.05746 45.12280 12.30527 72.83932 7.845852 -27.71651      14.59373 
1 1 1 -4  21 36 o 123.2184 5.225237 761.3235       62.87830 832.1000       93.37480 702.6000       85.05329 127.2116 7.532609 116.9081 7.471696 10.30341       10.60973 
1 1 1 -4  21 37 o 95.70746 5.355093 461.0987       49.96704 453.3000       72.92517 468.0000       68.60103 93.27940 8.066217 95.22877 7.418115 -1.949371      10.95866 
1 1 1 -4  21 38 o 63.10916 6.649501 205.5343       40.45933 163.8000       60.11159 240.1000       54.70594 53.41414 11.81128 67.21636 8.504910 -13.80222      14.55472 
1 1 1 -4  21 39 o 34.73138 9.887410 67.60751       35.22235 83.50000       53.89619 55.76000       46.53456 37.89527 12.51197 32.38424 11.58856 5.511032       17.05415 
1 1 1 -4  21 40 o 32.49601 10.07799 59.40961       35.37707 90.15000       52.85994 34.47000       47.61204 38.81918 12.35853 28.53553 11.36136 10.28365       16.78731 
1 1 1 -4  21 41 o 35.34703 9.549021 71.08089       33.81252 79.35000       50.31250 64.27000       45.66138 36.52488 12.09001 33.52454 11.51792 3.000340       16.69823 
1 1 1 -4  21 42 o 29.28518 9.591509 47.58078       31.69694 57.22000       47.12983 39.62000       42.83045 32.02927 11.63598 28.48171 10.93787 3.547564       15.96976 
1 1 1 -4  21 43 o 23.64710 10.38695 3.818000       46.30512 3.818000       46.30512 0.000000       0.000000 23.64710 10.38695 ?        ?        ?              ?        
1 1 1 -4  21 44 o 45.30756 7.875346 112.5368       33.65875 80.67000       48.95772 141.1000       46.35055 36.24938 11.92295 49.40053 9.930299 -13.15115      15.51669 
1 1 1 -4  21 45 o 20.56057 9.288481 -8.581000      39.81926 0.000000       0.000000 -8.581000      39.81926 ?        ?        20.56057 9.288481 ?              ?        
1 1 1 -4  21 46 o 68.20545 5.762625 242.4494       38.11245 194.3000       53.84304 290.8000       53.95541 57.79018 9.872812 73.10778 7.653164 -15.31760      12.49173 
1 1 1 -4  21 47 o 39.16948 8.681279 88.11382       32.40903 89.72000       47.54705 86.72000       44.29242 37.48111 11.69306 37.16003 11.23013 0.3210793      16.21245 
1 1 1 -4  21 48 o 56.68362 6.579114 172.4174       35.82594 194.5000       53.86544 154.9000       47.97557 57.23523 9.977335 50.95597 9.975965 6.279259       14.10911 
1 1 1 -4  21 49 o 16.39265 7.980524 -56.55000      41.06729 0.000000       0.000000 -56.55000      41.06729 ?        ?        16.39265 7.980524 ?              ?        
1 1 1 -4  21 50 o 18.59201 8.262845 -2.032506      30.13898 11.48000       43.57078 -14.43000      41.73442 23.36397 10.17298 20.02025 9.219902 3.343721       13.72939 
1 1 1 -4  21 51 o 50.77686 7.125748 141.5924       34.44291 212.3000       51.09908 82.72000       46.62681 60.64719 8.870167 35.50573 11.63336 25.14145       14.62925 
1 1 1 -4  21 52 o 20.35236 8.759163 7.758885       31.55475 -13.59000      45.40004 27.71000       43.88865 20.82738 9.600507 25.53756 10.62501 -4.710182      14.31993 
1 1 1 -4  21 53 o 17.66679 8.095063 -11.53025      31.61809 -0.8730000     44.92530 -21.99000      44.50709 21.97068 9.901185 19.79076 9.252243 2.179916       13.55129 
1 1 1 -4  21 54 o 25.96799 10.63931 32.11000       43.10543 0.000000       0.000000 32.11000       43.10543 ?        ?        25.96799 10.63931 ?              ?        
1 1 1 -4  21 55 o 31.00322 9.524599 59.29295       31.68723 107.4000       45.71080 14.79000       43.96518 40.28263 11.19262 23.44720 10.21393 16.83543       15.15253 
1 1 1 -4  21 56 o 28.46001 9.551664 50.00215       31.38330 31.96000       44.36077 68.08000       44.40463 25.61008 10.67074 31.78808 11.32636 -6.177998      15.56120 
1 1 1 -4  21 57 o 42.23644 8.359217 105.9797       33.33508 114.9000       47.62275 97.41000       46.67731 40.67385 11.46915 37.13822 11.58555 3.535633       16.30234 
1 1 1 -4  22 1  o 194.5405 4.168071 1855.604       79.36909 1850.000       159.2315 1857.457       91.55318 193.5261 8.426077 194.5793 4.806959 -1.053268      9.700806 
1 1 1 -4  22 2  o 133.2159 3.431754 870.1851       44.71123 815.9000       89.40977 888.2870       51.63053 128.5788 7.132046 134.5564 3.924283 -5.977539      8.140398 
1 1 1 -4  22 3  o 197.8042 4.218872 1918.500       81.68417 1960.000       166.8976 1905.428       93.66974 199.1671 8.581170 197.0691 4.855953 2.097977       9.859857 
1 1 1 -4  22 4  o 307.9046 6.946486 4663.688       209.3570 4767.000       368.3674 4614.395       254.4460 309.4333 12.18591 305.7675 8.509827 3.665863       14.86316 
1 1 1 -4  22 5  o 244.9991 7.031600 2955.670       168.4517 0.000000       0.000000 2955.670       168.4517 ?        ?        244.9991 7.031600 ?              ?        
1 1 1 -4  22 6  o 248.8260 7.156945 3049.551       174.1319 2937.000       241.2316 3172.000       251.6157 243.4053 10.14733 252.9603 10.18281 -9.554993      14.37560 
1 1 1 -4  22 7  o 223.0861 5.300740 2443.238       115.7484 2406.000       200.2311 2461.927       141.8513 220.4826 9.298805 223.6733 6.485924 -3.190735      11.33733 
1 1 1 -4  22 8  o 209.6372 6.277662 2162.286       128.6717 2363.000       192.4404 2000.000       173.0402 218.5569 9.014854 201.0889 8.812695 17.46797       12.60679 
1 1 1 -4  22 9  f 186.8152 4.678865 1713.387       85.49035 1621.000       146.3083 1761.283       105.3452 181.1009 8.275444 189.2693 5.692750 -8.168411      10.04442 
1 1 1 -4  22 10 f 287.7038 5.655016 4066.121       159.2522 4003.000       316.4556 4087.527       184.2881 283.6284 11.42210 288.2818 6.530912 -4.653351      13.15740 
1 1 1 -4  22 11 o 44.83091 4.126558 99.39350       17.90502 157.1000       48.09866 90.11045       19.29150 55.67192 9.143703 42.59551 4.705296 13.07642       10.28334 
1 1 1 -4  22 12 f 87.52055 4.955150 377.2197       42.27614 433.0000       64.10998 334.3000       56.23587 93.51052 7.056272 82.09543 7.066943 11.41509       9.986624 
1 1 1 -4  22 13 o 218.3881 4.509618 2340.344       96.39954 2491.000       203.3970 2296.699       109.4761 224.1664 9.289878 216.2524 5.171925 7.914017       10.63253 
1 1 1 -4  22 14 o 180.8166 3.943390 1603.515       69.79337 1833.000       155.5904 1545.707       78.09073 192.4571 8.278651 177.4140 4.500452 15.04306       9.422852 
1 1 1 -4  22 15 o 76.57683 3.406126 288.0311       25.46690 0.000000       0.000000 288.0311       25.46690 ?        ?        76.57683 3.406126 ?              ?        
1 1 1 -4  22 16 o 156.3723 4.301575 1200.899       65.77802 1236.000       120.9973 1186.174       78.37025 158.0108 7.847729 155.2910 5.163012 2.719849       9.393804 
1 1 1 -4  22 17 o 180.8232 5.811622 1610.488       102.7291 1572.000       144.3363 1650.000       146.2442 178.0571 8.304396 182.4566 8.209688 -4.399506      11.67741 
1 1 1 -4  22 18 o 98.87811 3.792779 480.3672       36.64021 0.000000       0.000000 480.3672       36.64021 ?        ?        98.87811 3.792779 ?              ?        
1 1 1 -4  22 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  22 20 o 234.2297 6.935249 2713.280       158.8297 2849.000       232.7523 2595.000       217.2830 238.7040 9.983616 227.9028 9.762864 10.80116       13.96374 
1 1 1 -4  22 21 o 99.42947 5.232540 488.0952       50.74608 452.4000       72.92932 521.6000       70.65624 95.17617 7.899405 102.4309 7.090911 -7.254761      10.61516 
1 1 1 -4  22 22 o 113.1422 5.109643 631.8117       56.44160 539.4000       78.59895 730.2000       81.10079 103.9288 7.782877 121.2556 6.861083 -17.32678      10.37534 
1 1 1 -4  22 23 o 77.66801 5.595339 299.2521       42.25267 210.6000       59.04436 392.3000       60.49048 64.11351 9.712363 88.66825 7.027101 -24.55474      11.98792 
1 1 1 -4  22 24 o 233.3990 6.948620 2708.158       158.5696 2605.000       219.8548 2820.000       228.9225 227.0880 9.914790 236.2849 9.920043 -9.196899      14.02535 
1 1 1 -4  22 25 o 78.26138 5.617962 304.5570       42.74974 283.0000       61.91249 324.2000       59.10007 74.62187 8.635479 80.24451 7.615461 -5.622643      11.51376 
1 1 1 -4  22 26 o 43.27347 8.557646 97.30803       34.96315 81.37000       51.33278 111.1000       47.75190 39.47547 12.12192 45.74745 10.83244 -6.271980      16.25677 
1 1 1 -4  22 27 f 133.9320 5.207425 889.5496       68.13737 875.0000       97.39005 903.5000       95.36348 131.8721 7.576831 134.1439 7.290213 -2.271805      10.51454 
1 1 1 -4  22 28 o 54.89365 7.003119 153.1705       36.77308 178.6000       54.21334 131.5000       50.04623 58.38703 9.835176 49.67059 10.61559 8.716442       14.47140 
1 1 1 -4  22 29 o 116.1626 7.333164 681.9000       82.95485 681.9000       82.95485 0.000000       0.000000 116.1626 7.333164 ?        ?        ?              ?        
1 1 1 -4  22 30 f 38.66535 8.910677 79.42728       33.03148 100.0000       49.82881 63.30000       44.11793 42.77394 11.60765 34.86612 11.30882 7.907814       16.20576 
1 1 1 -4  22 31 o 31.74669 11.15050 49.17000       42.90981 0.000000       0.000000 49.17000       42.90981 ?        ?        31.74669 11.15050 ?              ?        
1 1 1 -4  22 32 o 72.20370 8.000194 269.2000       55.59376 0.000000       0.000000 269.2000       55.59376 ?        ?        72.20370 8.000194 ?              ?        
1 1 1 -4  22 33 o 112.3968 5.132037 631.5792       56.31216 607.5000       80.45850 654.7000       78.84099 108.8762 7.597425 113.3362 7.143188 -4.459953      10.42813 
1 1 1 -4  22 34 o 118.2339 5.180775 699.7344       59.81188 744.2000       88.27839 662.0000       81.32265 120.4773 7.523431 113.7275 7.344603 6.749832       10.51405 
1 1 1 -4  22 35 o 58.81859 6.814842 178.0179       38.51010 120.3000       55.74776 230.7000       53.26036 45.91927 12.19783 66.27359 8.398587 -20.35432      14.80957 
1 1 1 -4  22 36 o 93.13196 5.285760 436.4799       47.98723 440.9000       69.71550 432.5000       66.15295 92.14126 7.803116 91.48403 7.451994 0.6572266      10.78985 
1 1 1 -4  22 37 o 75.68540 5.698866 291.0668       41.90877 217.0000       58.88350 367.1000       59.66003 63.00672 9.871698 84.07883 7.322168 -21.07212      12.29083 
1 1 1 -4  22 38 o 90.16610 5.369437 412.1746       47.17445 444.0000       69.93269 385.6000       63.90372 91.82755 7.855773 85.65494 7.704207 6.172607       11.00309 
1 1 1 -4  22 39 o 31.44417 10.08824 55.06024       35.17050 -0.6278000     51.34118 104.3000       48.27728 24.51597 10.84580 42.02970 11.43380 -17.51373      15.75954 
1 1 1 -4  22 40 o 31.61928 9.885936 56.43981       33.96669 53.98000       49.98625 58.55000       46.29783 31.80116 11.90663 32.40491 11.56320 -0.6037560     16.59746 
1 1 1 -4  22 41 o 57.97422 6.413347 175.9973       35.78586 204.9000       52.54837 151.0000       48.86937 60.71321 9.124345 51.29778 10.09233 9.415436       13.60547 
1 1 1 -4  22 42 o 73.65361 8.248065 295.4000       58.44368 295.4000       58.44368 0.000000       0.000000 73.65361 8.248065 ?        ?        ?              ?        
1 1 1 -4  22 43 o 38.16885 8.904866 82.80518       32.65754 97.30000       48.33450 70.63000       44.29846 39.71892 11.66632 34.33486 11.34363 5.384060       16.27209 
1 1 1 -4  22 44 o 28.58216 10.92551 42.61000       42.60055 0.000000       0.000000 42.61000       42.60055 ?        ?        28.58216 10.92551 ?              ?        
1 1 1 -4  22 45 o 40.52308 8.445602 92.92490       32.41177 81.78000       46.56413 103.4000       45.14322 36.13202 11.60937 40.96157 11.01967 -4.829552      16.00658 
1 1 1 -4  22 46 o 41.38570 8.362509 97.06556       32.70905 56.13000       46.72593 136.4000       45.80302 30.95071 11.52703 47.86648 10.09420 -16.91577      15.32206 
1 1 1 -4  22 47 o 40.28421 8.499077 93.23605       32.45744 58.52000       47.27186 124.2000       44.64427 31.11314 11.59288 45.14911 10.32688 -14.03596      15.52544 
1 1 1 -4  22 48 o 27.11229 9.561040 41.83024       31.57135 -8.106000      45.46354 88.34000       43.87603 21.48085 9.790962 37.11784 11.16843 -15.63699      14.85250 
1 1 1 -4  22 49 o 24.02718 9.280600 28.07371       30.96099 19.83000       44.84793 35.58000       42.79507 24.69384 10.53077 26.78663 10.73559 -2.092793      15.03829 
1 1 1 -4  22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  22 51 o 25.72852 9.605509 35.91500       32.48506 34.02000       45.94081 37.81000       45.94081 26.69681 10.96583 27.27276 11.05471 -0.5759468     15.57100 
1 1 1 -4  22 52 o 36.34547 9.455677 80.05711       33.95517 105.6000       49.24672 56.91000       46.88034 39.74646 11.80239 30.41639 11.49997 9.330074       16.47865 
1 1 1 -4  22 53 o 37.53715 11.56857 94.27000       46.70134 0.000000       0.000000 94.27000       46.70134 ?        ?        37.53715 11.56857 ?              ?        
1 1 1 -4  22 54 o 31.09600 9.505931 59.55547       31.61265 44.78000       44.55083 74.54000       44.86491 27.92369 11.03081 33.42136 11.41898 -5.497667      15.87677 
1 1 1 -4  22 55 o 28.30613 9.549350 49.17079       31.36633 86.63000       44.58421 12.46000       44.13657 35.64945 11.35002 23.01542 10.12408 12.63403       15.20920 
1 1 1 -4  22 56 o 30.51490 9.466367 58.66295       31.21076 77.39000       44.24809 40.12000       44.03006 33.43637 11.34168 26.65242 10.81538 6.783955       15.67183 
1 1 1 -4  23 1  o 113.5593 3.337386 632.4875       37.05645 539.2000       73.04021 664.8223       43.00169 104.4096 7.190774 116.3938 3.779423 -11.98420      8.123501 
1 1 1 -4  23 2  o 99.25541 3.334646 483.3148       32.35140 593.6000       71.22015 454.6425       36.31411 109.6502 6.667220 96.22213 3.863476 13.42803       7.705729 
1 1 1 -4  23 3  o 175.8091 3.918838 1515.419       67.43802 1598.000       140.5132 1490.704       76.86990 179.8554 8.001583 174.2613 4.510393 5.594116       9.185259 
1 1 1 -4  23 4  o 88.70830 4.011352 386.6354       34.74051 388.1000       62.19470 385.9712       41.88364 88.48874 7.243920 88.55213 4.850661 -0.6339264E-01 8.717987 
1 1 1 -4  23 5  o 219.8162 5.283993 2372.594       113.6915 2623.000       210.3354 2269.235       135.1334 230.1360 9.356818 214.7095 6.437186 15.42653       11.35726 
1 1 1 -4  23 6  o 255.1279 5.933906 3199.080       148.1852 3440.000       269.6665 3094.860       177.3642 263.1851 10.48891 250.5778 7.238899 12.60728       12.74437 
1 1 1 -4  23 7  o 144.3638 4.051811 1022.836       57.19840 0.000000       0.000000 1022.836       57.19840 ?        ?        144.3638 4.051811 ?              ?        
1 1 1 -4  23 8  o 212.5452 6.358157 2224.085       132.1296 2445.000       198.7113 2049.000       176.9032 222.1671 9.157324 203.4169 8.906281 18.75023       12.77413 
1 1 1 -4  23 9  o 169.8236 4.423683 1415.982       73.47141 1529.000       136.0923 1369.493       87.28394 175.8683 7.926059 166.8870 5.350164 8.981277       9.562776 
1 1 1 -4  23 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  23 11 o 130.1462 5.037580 833.1172       64.05291 924.4000       96.22955 760.5000       85.82898 136.7550 7.214365 124.0244 7.099682 12.73060       10.12189 
1 1 1 -4  23 12 o 141.6308 3.479555 983.4265       48.23780 1148.000       108.9545 943.3032       53.79761 152.4007 7.325301 138.6190 3.969002 13.78163       8.331447 
1 1 1 -4  23 13 o 208.3030 5.009196 2131.391       102.1339 0.000000       0.000000 2131.391       102.1339 ?        ?        208.3030 5.009196 ?              ?        
1 1 1 -4  23 14 o 235.8136 5.508070 2734.329       127.1378 0.000000       0.000000 2734.329       127.1378 ?        ?        235.8136 5.508070 ?              ?        
1 1 1 -4  23 15 o 129.8652 4.019193 828.3925       51.02874 911.0000       95.59219 795.4714       60.34620 135.6602 7.224917 127.1491 4.857691 8.511063       8.706124 
1 1 1 -4  23 16 o 263.0139 5.231728 3401.833       134.6883 3761.000       291.7341 3304.538       151.8393 274.1729 10.89235 259.0336 5.988552 15.13931       12.43005 
1 1 1 -4  23 17 o 44.29354 3.996902 97.08253       17.14262 0.000000       0.000000 97.08253       17.14262 ?        ?        44.29354 3.996902 ?              ?        
1 1 1 -4  23 18 o 217.0016 4.478456 2314.017       95.12561 2572.000       209.3589 2246.901       106.7849 227.0131 9.442425 213.7018 5.104998 13.31126       10.73408 
1 1 1 -4  23 19 o 171.7096 5.691309 1454.918       95.52399 1409.000       134.2539 1502.000       135.9446 168.2424 8.176883 173.7752 8.013804 -5.532745      11.44913 
1 1 1 -4  23 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  23 21 o 99.92663 5.065011 493.3065       49.37977 535.6000       72.98316 457.6000       67.05939 103.6414 7.239737 95.76846 7.206570 7.872932       10.21511 
1 1 1 -4  23 22 o 182.4350 5.875790 1647.433       104.7885 1576.000       145.6876 1724.000       150.8330 177.3851 8.414711 185.5887 8.324257 -8.203613      11.83641 
1 1 1 -4  23 23 o 159.2929 5.531172 1256.015       86.11134 1191.000       120.0148 1325.000       123.6251 154.1713 7.980050 162.7241 7.784122 -8.552826      11.14781 
1 1 1 -4  23 24 o 122.1125 5.170691 738.3788       61.66389 660.1000       85.19747 824.5000       89.36342 114.6526 7.635167 128.3869 7.139147 -13.73435      10.45290 
1 1 1 -4  23 25 o 150.5489 5.402658 1124.074       79.48524 1080.000       111.2707 1170.000       113.5832 146.5277 7.786037 152.6081 7.627978 -6.080353      10.89993 
1 1 1 -4  23 26 o 61.11855 6.472254 188.2671       38.13227 187.1000       55.65209 189.3000       52.35330 59.83829 9.843570 60.45325 9.131873 -0.6149597     13.42710 
1 1 1 -4  23 27 o 84.67935 7.980464 365.1000       65.36726 365.1000       65.36726 0.000000       0.000000 84.67935 7.980464 ?        ?        ?              ?        
1 1 1 -4  23 28 o 97.74314 7.438167 484.7000       70.62930 484.7000       70.62930 0.000000       0.000000 97.74314 7.438167 ?        ?        ?              ?        
1 1 1 -4  23 29 o 65.95213 6.033606 219.2899       38.51936 152.5000       54.45013 286.2000       54.49909 53.13716 10.83644 74.84389 7.541953 -21.70673      13.20263 
1 1 1 -4  23 30 o 76.46443 7.730910 300.0000       57.06841 0.000000       0.000000 300.0000       57.06841 ?        ?        76.46443 7.730910 ?              ?        
1 1 1 -4  23 31 o 74.47958 5.683160 279.1942       41.11888 204.5000       57.97534 354.8000       58.32803 61.91598 9.899379 83.33963 7.221418 -21.42365      12.25343 
1 1 1 -4  23 32 o 40.38287 8.759176 87.29957       33.62484 116.8000       50.99655 64.61000       44.72391 45.80215 11.41593 34.82780 11.39246 10.97434       16.12797 
1 1 1 -4  23 33 o 18.69492 8.335278 -9.105450      30.92276 -50.37000      47.11541 22.12000       40.98536 19.35899 9.192094 26.17458 10.50071 -6.815594      13.95563 
1 1 1 -4  23 34 o 33.79214 9.556900 62.12097       33.01614 35.30000       49.39558 83.78000       44.38849 29.68502 11.64909 38.74459 11.12218 -9.059563      16.10603 
1 1 1 -4  23 35 o 75.11170 5.714764 285.8695       41.70038 261.6000       60.16984 308.3000       57.84530 70.12770 8.970778 76.92896 7.789178 -6.801254      11.88050 
1 1 1 -4  23 36 o 49.84325 7.534469 131.0244       35.61300 113.2000       51.63193 147.2000       49.18584 44.23158 11.73403 51.51892 10.11485 -7.287346      15.49186 
1 1 1 -4  23 37 o 47.69792 7.701944 121.2582       34.73416 56.02000       50.23863 181.0000       48.07576 32.66319 11.99053 57.84095 8.765886 -25.17776      14.85307 
1 1 1 -4  23 38 o 43.12561 8.454695 101.9167       34.41314 163.1000       51.21106 51.54000       46.46888 53.74231 10.10598 31.29072 11.52422 22.45159       15.32770 
1 1 1 -4  23 39 o 31.97667 9.602051 57.85578       32.45598 86.77000       47.79358 33.11000       44.21446 38.04789 11.69897 27.64791 10.96775 10.39998       16.03613 
1 1 1 -4  23 40 o 77.75121 5.464938 310.0725       41.32602 313.5000       58.68184 306.7000       58.20867 76.26774 7.978528 75.40410 8.008892 0.8636398      11.30483 
1 1 1 -4  23 41 o 91.38070 7.474661 445.8000       66.27415 445.8000       66.27415 0.000000       0.000000 91.38070 7.474661 ?        ?        ?              ?        
1 1 1 -4  23 42 o 66.46286 5.894920 229.6180       37.95245 193.3000       53.94972 265.2000       53.40025 58.06593 9.843307 69.86509 7.949907 -11.79916      12.65273 
1 1 1 -4  23 43 o 32.39575 11.28557 62.28000       43.90076 0.000000       0.000000 62.28000       43.90076 ?        ?        32.39575 11.28557 ?              ?        
1 1 1 -4  23 44 o 28.45440 9.491930 45.98899       30.99809 31.67000       44.37930 59.63000       43.31590 26.78890 10.86279 31.69512 11.19713 -4.906218      15.60052 
1 1 1 -4  23 45 o 33.54937 9.275200 66.12482       31.47761 64.18000       44.62939 68.05000       44.40358 32.45576 11.37386 33.23458 11.36000 -0.7788239     16.07527 
1 1 1 -4  23 46 o 27.33746 9.415336 42.59560       30.51805 20.88000       43.53338 63.58000       42.79418 24.72334 10.45233 32.05725 11.14396 -7.333914      15.27871 
1 1 1 -4  23 47 o 34.14405 9.221079 69.53402       31.53602 46.08000       45.16368 91.85000       44.05433 28.71376 11.17630 37.86186 11.14236 -9.148106      15.78169 
1 1 1 -4  23 48 o 36.62190 8.935327 79.00240       31.74183 97.14000       46.13577 62.70000       43.73948 38.72426 11.40424 31.72059 11.24745 7.003672       16.01755 
1 1 1 -4  23 49 o 21.32098 8.808920 15.61191       29.87490 3.199000       43.11091 27.08000       41.43773 22.16078 9.863610 25.12962 10.37772 -2.968840      14.31740 
1 1 1 -4  23 50 o 31.64983 11.52486 63.65000       46.27120 63.65000       46.27120 0.000000       0.000000 31.64983 11.52486 ?        ?        ?              ?        
1 1 1 -4  23 51 o 40.98750 12.27731 114.9000       53.11002 114.9000       53.11002 0.000000       0.000000 40.98750 12.27731 ?        ?        ?              ?        
1 1 1 -4  23 52 o 36.71878 11.72298 91.03000       47.53602 0.000000       0.000000 91.03000       47.53602 ?        ?        36.71878 11.72298 ?              ?        
1 1 1 -4  23 53 o 27.75952 9.562142 45.99818       31.47757 55.17000       44.01885 36.40000       45.03038 29.77658 11.16822 26.67786 10.89565 3.098722       15.60270 
1 1 1 -4  23 54 o 18.92233 8.306681 3.193803       29.57485 24.66000       41.97929 -17.96000      41.67271 24.36895 10.28131 19.28630 8.995403 5.082647       13.66099 
1 1 1 -4  23 55 o 29.11415 9.554729 53.30302       31.44754 36.37000       44.57017 70.09000       44.37754 26.09158 10.76771 31.93213 11.32853 -5.840548      15.62943 
1 1 1 -4  24 1  o 95.34080 3.349892 446.0709       31.21336 385.1000       64.51472 464.7047       35.66553 88.06051 7.557668 97.28145 3.752560 -9.220940      8.438012 
1 1 1 -4  24 2  o 198.2117 4.914200 1928.907       95.34289 1770.000       159.0260 2018.079       119.1275 189.0622 8.615893 202.4937 6.016950 -13.43153      10.50892 
1 1 1 -4  24 3  o 122.6019 3.902811 737.8746       46.77644 623.7000       80.37923 796.3419       57.51954 112.2514 7.356067 127.2958 4.623996 -15.04441      8.688674 
1 1 1 -4  24 4  f 262.6781 5.249071 3389.410       134.9623 3778.000       291.5999 3283.475       152.2512 275.4777 10.83534 258.3908 6.019735 17.08685       12.39523 
1 1 1 -4  24 5  o 181.5281 3.993787 1616.233       70.96349 1797.000       153.9668 1567.475       79.96323 190.5592 8.274226 178.6505 4.576544 11.90869       9.455558 
1 1 1 -4  24 6  o 229.0913 5.462173 2579.233       122.4843 2689.000       219.7780 2529.780       147.5172 232.6996 9.670073 226.5612 6.659204 6.138382       11.74118 
1 1 1 -4  24 7  f 109.6797 3.961717 590.8247       42.46214 610.3000       77.77853 582.5556       50.68131 111.0337 7.195213 108.8222 4.769583 2.211510       8.632498 
1 1 1 -4  24 8  o 153.6348 3.630512 1157.396       54.59635 1302.000       120.5516 1120.083       61.23635 162.2530 7.611781 151.0379 4.145988 11.21510       8.667666 
1 1 1 -4  24 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  24 10 o 112.4398 4.559743 621.7084       50.08004 579.9000       77.04301 652.3000       65.90250 108.1735 7.319325 115.0002 5.874055 -6.826759      9.384937 
1 1 1 -4  24 11 o 95.61232 3.659866 449.0127       34.18870 0.000000       0.000000 449.0127       34.18870 ?        ?        95.61232 3.659866 ?              ?        
1 1 1 -4  24 12 o 79.75857 3.635210 312.6698       28.30543 0.000000       0.000000 312.6698       28.30543 ?        ?        79.75857 3.635210 ?              ?        
1 1 1 -4  24 13 o 96.36705 3.554118 456.1188       33.46740 0.000000       0.000000 456.1188       33.46740 ?        ?        96.36705 3.554118 ?              ?        
1 1 1 -4  24 14 o 89.36680 4.770428 393.6134       41.57796 0.000000       0.000000 393.6134       41.57796 ?        ?        89.36680 4.770428 ?              ?        
1 1 1 -4  24 15 o 107.5828 3.128827 568.0170       32.91311 543.2000       74.25447 574.0850       36.71702 104.5588 7.301183 108.1218 3.473857 -3.562965      8.085478 
1 1 1 -4  24 16 o 145.6940 4.128787 1043.433       58.82097 1194.000       112.4826 986.7622       69.00848 155.1207 7.429744 141.5354 4.988972 13.58530       8.949353 
1 1 1 -4  24 17 o 19.71014 5.871338 19.39339       12.17217 174.3000       53.37046 10.89370       12.50165 58.32581 9.688073 16.45440 5.990680 41.87141       11.39065 
1 1 1 -4  24 18 o 119.5512 3.158336 701.7311       36.92648 887.3000       93.38634 667.3394       40.20293 133.6035 7.167237 116.5361 3.528511 17.06740       7.988721 
1 1 1 -4  24 19 o 64.20512 6.258451 205.7668       38.83303 209.4000       57.39794 202.7000       52.73436 64.00376 9.445372 63.13513 8.769737 0.8686333      12.88888 
1 1 1 -4  24 20 o 73.24720 5.666741 266.6466       40.31274 241.8000       57.53988 290.6000       56.49611 68.99878 8.713596 76.01469 7.699075 -7.015915      11.62766 
1 1 1 -4  24 21 o 181.0516 5.858463 1624.234       103.6860 1595.000       145.9773 1654.000       147.3000 178.2685 8.389276 181.5848 8.309400 -3.316299      11.80788 
1 1 1 -4  24 22 o 121.8779 5.084179 735.1633       60.51975 814.4000       89.56915 668.6000       82.09425 127.5895 7.201179 115.5340 7.296601 12.05550       10.25170 
1 1 1 -4  24 23 o 88.16466 5.261490 386.0092       45.19907 366.1000       64.68938 405.0000       63.17962 85.09716 7.854854 89.74187 7.254211 -4.644707      10.69216 
1 1 1 -4  24 24 o 106.5473 5.106628 563.3228       53.10273 545.5000       75.80090 580.5000       74.41547 104.0258 7.494589 107.4793 7.113485 -3.453491      10.33298 
1 1 1 -4  24 25 o 118.4168 5.092873 696.1600       58.89333 714.5000       85.22820 679.4000       81.47407 119.0662 7.348691 116.1614 7.200989 2.904854       10.28871 
1 1 1 -4  24 26 o 70.03561 8.513206 252.6000       57.16315 252.6000       57.16315 0.000000       0.000000 70.03561 8.513206 ?        ?        ?              ?        
1 1 1 -4  24 27 o 128.4194 5.204798 821.4282       65.28897 739.3000       89.02635 917.0000       96.03676 120.6447 7.577097 134.5702 7.318465 -13.92547      10.53434 
1 1 1 -4  24 28 o 50.80642 7.218419 132.8152       34.88866 135.2000       50.27568 130.6000       48.45472 49.99508 10.60281 49.20203 10.38769 0.7930412      14.84330 
1 1 1 -4  24 29 o 24.94197 10.48506 9.761000       43.40881 0.000000       0.000000 9.761000       43.40881 ?        ?        24.94197 10.48506 ?              ?        
1 1 1 -4  24 30 o 67.27116 5.998153 228.9409       39.08213 222.9000       56.72409 234.4000       53.92318 65.00347 9.169480 67.06136 8.398461 -2.057884      12.43437 
1 1 1 -4  24 31 o 82.41557 5.422224 341.3622       43.49845 366.3000       64.70592 320.8000       58.75583 84.15633 7.949285 78.84031 7.712240 5.316025       11.07564 
1 1 1 -4  24 32 o 90.02079 5.211715 406.6703       45.72660 433.3000       68.00948 384.7000       61.77370 91.65268 7.650575 86.48997 7.366836 5.162712       10.62081 
1 1 1 -4  24 33 o 70.67068 5.880890 253.4379       40.31239 211.4000       58.56115 291.3000       55.57652 62.51233 9.899999 74.89184 7.690575 -12.37951      12.53614 
1 1 1 -4  24 34 o 57.47702 6.696898 170.4500       36.97185 190.6000       55.42911 154.3000       49.62347 59.13538 9.927447 53.09549 9.912711 6.039898       14.02911 
1 1 1 -4  24 35 o 59.83022 6.415262 184.5729       36.98402 174.6000       53.97403 193.4000       50.77870 56.11314 10.20255 59.90809 8.932013 -3.794952      13.55998 
1 1 1 -4  24 36 o 38.19222 9.225386 81.22501       34.09721 64.29000       50.74974 95.16000       46.03565 34.12459 12.11378 40.46411 11.22827 -6.339520      16.51719 
1 1 1 -4  24 37 o 52.57227 7.085451 146.0979       35.53375 160.9000       52.63214 133.7000       48.16862 53.03191 10.51088 48.23080 10.50153 4.801117       14.85802 
1 1 1 -4  24 38 o 58.89523 6.298953 180.8007       35.74916 154.2000       51.85227 204.9000       49.35409 51.58513 10.62316 61.32923 8.445463 -9.744102      13.57120 
1 1 1 -4  24 39 o 33.42712 11.16740 65.22000       42.90456 65.22000       42.90456 0.000000       0.000000 33.42712 11.16740 ?        ?        ?              ?        
1 1 1 -4  24 40 o 22.14152 9.041946 15.86649       31.00737 38.03000       41.41007 -12.42000      46.78173 27.87209 10.74167 21.91147 9.965723 5.960621       14.65262 
1 1 1 -4  24 41 o 31.49122 9.507576 57.10238       31.75790 35.41000       45.38737 77.91000       44.45214 27.78925 11.08333 35.81494 11.32485 -8.025696      15.84589 
1 1 1 -4  24 42 o 31.85353 11.29171 59.62000       44.08195 0.000000       0.000000 59.62000       44.08195 ?        ?        31.85353 11.29171 ?              ?        
1 1 1 -4  24 43 o 52.44013 6.834927 147.5864       34.24950 169.9000       49.76067 127.5000       47.21200 54.02685 9.769076 45.86924 10.71061 8.157608       14.49662 
1 1 1 -4  24 44 o 26.45991 9.333006 38.33275       30.08458 68.24000       43.70069 11.39000       41.47830 33.29143 11.27148 23.24800 10.02425 10.04343       15.08416 
1 1 1 -4  24 45 o 35.05405 9.103704 72.56033       31.51120 146.1000       46.40916 9.657000       42.92197 49.45736 9.931931 23.10603 10.07824 26.35132       14.14971 
1 1 1 -4  24 46 o 75.60571 5.618623 299.5163       41.28338 376.2000       62.16072 239.0000       55.22057 82.35422 7.804363 64.31725 9.018868 18.03696       11.92678 
1 1 1 -4  24 47 o 26.07315 9.467059 37.57311       31.19181 18.36000       45.24854 54.97000       43.05679 24.49966 10.51570 30.17270 11.09638 -5.673042      15.28757 
1 1 1 -4  24 48 o 45.27513 7.767670 115.4598       33.18470 89.66000       47.67918 139.7000       46.21555 36.70873 11.74284 47.74633 10.19867 -11.03760      15.55337 
1 1 1 -4  24 49 o 21.68133 9.719295 0.3621000      42.65511 0.3621000      42.65511 0.000000       0.000000 21.68133 9.719295 ?        ?        ?              ?        
1 1 1 -4  24 50 o 27.42340 9.677110 43.89747       32.34663 78.88000       48.29147 15.43000       43.56314 34.37462 11.84365 23.67906 10.24180 10.69556       15.65779 
1 1 1 -4  24 51 o 46.44344 10.89119 137.9000       48.64831 0.000000       0.000000 137.9000       48.64831 ?        ?        46.44344 10.89119 ?              ?        
1 1 1 -4  24 52 o 17.51635 8.434094 -44.01000      42.75941 -44.01000      42.75941 0.000000       0.000000 17.51635 8.434094 ?        ?        ?              ?        
1 1 1 -4  24 53 o 28.18112 9.597705 48.46261       31.69025 93.48000       45.41707 5.749000       44.23969 37.09257 11.40425 22.28845 9.951483 14.80411       15.13568 
1 1 1 -4  24 54 o 25.75563 9.447520 38.99236       31.17915 86.34000       44.46951 -6.789000      43.72779 35.30793 11.34531 20.65088 9.483676 14.65705       14.78703 
1 1 1 -4  24 55 o 26.19722 9.467340 41.77311       31.14585 64.55000       43.80216 18.48000       44.29575 30.63568 11.20424 23.40874 10.22373 7.226944       15.16772 
1 1 1 -4  25 1  o 129.4660 4.019481 823.0981       50.87513 678.8000       84.57159 904.9293       63.68742 117.0593 7.419126 135.6599 4.803765 -18.60069      8.838529 
1 1 1 -4  25 2  o 140.8763 3.529116 973.7233       48.62593 961.6000       99.43293 977.5340       55.74671 139.4249 7.311460 141.0973 4.040562 -1.672409      8.353657 
1 1 1 -4  25 3  o 86.43844 3.361044 366.8473       28.38304 411.7000       63.14722 355.4917       31.77348 91.09358 7.139064 85.04707 3.826599 6.046509       8.099944 
1 1 1 -4  25 4  o 153.7568 4.275613 1161.164       64.28609 1092.000       110.7755 1196.285       78.93839 148.5174 7.645825 155.9378 5.178852 -7.420441      9.234671 
1 1 1 -4  25 5  o 141.0373 4.137482 976.9561       57.05669 1077.000       105.7641 935.8885       67.76298 147.5446 7.346437 137.9218 5.027831 9.622757       8.902204 
1 1 1 -4  25 6  o 213.0110 5.174886 2230.207       107.8969 2167.000       185.5870 2262.479       132.6116 208.8467 9.100338 214.2272 6.331074 -5.380539      11.08597 
1 1 1 -4  25 7  o 128.7693 4.018311 814.4793       50.58599 900.4000       93.42219 778.8375       60.17017 134.8932 7.100451 125.8058 4.895579 9.087379       8.624563 
1 1 1 -4  25 8  o 96.80630 4.958501 461.7711       46.82858 430.2000       67.30210 491.4000       65.19919 93.02530 7.453628 99.59645 6.727408 -6.571152      10.04065 
1 1 1 -4  25 9  o 174.2065 3.895648 1489.231       66.42787 1520.000       137.7021 1479.899       75.83528 175.0564 8.057917 173.5302 4.468395 1.526230       9.213934 
1 1 1 -4  25 10 o 202.1601 4.295757 2006.908       85.00438 1878.000       167.7369 2051.455       98.60381 194.3147 8.842118 204.2824 4.931243 -9.967773      10.12424 
1 1 1 -4  25 11 o 132.4781 4.719268 863.6673       61.09853 0.000000       0.000000 863.6673       61.09853 ?        ?        132.4781 4.719268 ?              ?        
1 1 1 -4  25 12 o 64.40179 4.378785 204.6973       27.43892 0.000000       0.000000 204.6973       27.43892 ?        ?        64.40179 4.378785 ?              ?        
1 1 1 -4  25 13 o 233.7420 4.780418 2686.895       109.3727 2937.000       234.7059 2617.518       123.6149 242.2645 9.918531 230.5304 5.478183 11.73407       11.33083 
1 1 1 -4  25 14 o 73.82279 3.214482 267.8477       23.17210 389.6000       62.79422 248.6548       24.93171 88.39531 7.323113 71.08482 3.594853 17.31049       8.157877 
1 1 1 -4  25 15 o 74.22295 3.157775 270.7640       22.88928 350.1000       61.07599 257.8005       24.68861 83.67349 7.537940 72.38603 3.494787 11.28746       8.308675 
1 1 1 -4  25 16 o 44.53103 3.546068 97.98315       15.32910 122.0000       51.09808 95.60797       16.06923 48.24195 11.05805 43.95674 3.771173 4.285210       11.68341 
1 1 1 -4  25 17 o 63.45771 3.555370 198.3990       21.99557 0.000000       0.000000 198.3990       21.99557 ?        ?        63.45771 3.555370 ?              ?        
1 1 1 -4  25 18 o 132.5394 3.942570 864.6382       51.09135 948.8000       99.63430 834.6122       59.51133 137.8763 7.409886 130.0639 4.682156 7.812393       8.765215 
1 1 1 -4  25 19 o 137.9395 5.206993 941.0800       70.17807 949.9000       100.8524 932.8000       97.71545 137.8138 7.504632 136.6303 7.333381 1.183533       10.49276 
1 1 1 -4  25 20 o 110.7370 5.104358 607.2360       55.17857 593.3000       78.56744 620.8000       77.51184 108.7517 7.425291 111.3520 7.149314 -2.600327      10.30765 
1 1 1 -4  25 21 f 104.9480 5.140784 546.0944       52.64854 488.2000       73.29759 607.8000       75.67171 98.42978 7.668228 110.1188 7.057620 -11.68900      10.42169 
1 1 1 -4  25 22 o 90.22947 5.201861 404.5374       45.74762 430.6000       66.48395 381.1000       63.04663 92.39996 7.413018 86.86732 7.487810 5.532639       10.53661 
1 1 1 -4  25 23 o 91.47296 5.196292 416.0921       46.33429 405.6000       66.48546 426.0000       64.60804 89.48351 7.664361 91.88442 7.242044 -2.400909      10.54465 
1 1 1 -4  25 24 o 89.23161 5.207371 396.5471       45.28476 401.6000       64.71866 391.7000       63.38674 88.98593 7.499974 87.90089 7.436861 1.085045       10.56203 
1 1 1 -4  25 25 o 89.97735 7.507770 411.8000       65.52058 411.8000       65.52058 0.000000       0.000000 89.97735 7.507770 ?        ?        ?              ?        
1 1 1 -4  25 26 o 105.5825 5.055941 555.4756       52.09984 510.9000       72.38173 603.4000       75.05138 100.2146 7.431795 109.1454 7.062933 -8.930824      10.25264 
1 1 1 -4  25 27 o 35.65850 9.393097 68.23396       33.23537 119.9000       49.16322 24.75000       45.10267 46.83083 10.92596 27.61534 11.03697 19.21548       15.53033 
1 1 1 -4  25 28 o 95.55331 7.373443 466.6000       68.43089 0.000000       0.000000 466.6000       68.43089 ?        ?        95.55331 7.373443 ?              ?        
1 1 1 -4  25 29 o 87.86623 5.290994 387.1653       45.29483 351.9000       64.16190 422.2000       63.95174 82.46017 8.051725 90.83195 7.253172 -8.371780      10.83692 
1 1 1 -4  25 30 o 96.10316 5.224488 463.0921       48.96112 390.5000       68.52538 538.8000       69.98052 86.73107 8.167972 102.7297 7.001292 -15.99864      10.75797 
1 1 1 -4  25 31 o 67.96450 5.878390 234.2671       38.72224 226.2000       56.95712 241.2000       52.80170 65.19496 9.179201 67.93788 8.099487 -2.742920      12.24171 
1 1 1 -4  25 32 o 35.97890 9.267999 70.74751       32.83891 66.83000       47.58418 74.31000       45.37688 35.08677 11.76129 36.57257 11.42514 -1.485806      16.39701 
1 1 1 -4  25 33 o 63.37319 6.159240 205.5385       37.72529 176.1000       53.52439 234.6000       53.18052 56.65042 10.01901 66.59339 8.341053 -9.942966      13.03663 
1 1 1 -4  25 34 o 85.52567 5.334582 370.3373       44.43602 313.7000       62.42863 428.5000       63.26374 76.78901 8.444979 90.83038 7.173905 -14.04137      11.08073 
1 1 1 -4  25 35 o 59.92406 6.507713 186.4954       37.55901 149.2000       53.66649 222.3000       52.58300 50.84551 11.09560 64.19582 8.583077 -13.35031      14.02789 
1 1 1 -4  25 36 o 83.98251 5.340417 359.5900       43.67316 399.4000       64.10065 325.1000       59.66409 86.77615 7.624104 77.99870 7.924731 8.777443       10.99674 
1 1 1 -4  25 37 o 19.15819 8.346255 0.1956844      29.36164 18.16000       42.29852 -16.51000      40.78983 24.93942 10.40772 20.18215 9.227612 4.757269       13.90933 
1 1 1 -4  25 38 o 33.69579 11.21911 66.71000       43.30936 66.71000       43.30936 0.000000       0.000000 33.69579 11.21911 ?        ?        ?              ?        
1 1 1 -4  25 39 o 44.52831 7.944561 108.8954       33.35646 153.4000       46.05944 59.81000       48.37179 51.99432 9.395897 32.29714 11.78006 19.69717       15.06827 
1 1 1 -4  25 40 o 52.28384 9.869635 157.9000       48.65858 0.000000       0.000000 157.9000       48.65858 ?        ?        52.28384 9.869635 ?              ?        
1 1 1 -4  25 41 o 34.55987 9.330157 69.58774       32.29322 48.44000       47.68004 87.51000       43.89358 29.94878 11.53036 37.70271 11.12900 -7.753927      16.02510 
1 1 1 -4  25 42 o 35.36359 9.126977 72.84591       31.80573 60.64000       45.20680 84.81000       44.75675 31.87031 11.42000 36.84944 11.31950 -4.979134      16.07941 
1 1 1 -4  25 43 o 33.54596 9.264446 66.16606       31.42319 41.05000       44.57869 90.97000       44.30083 28.18601 11.06483 38.10128 11.16286 -9.915270      15.71751 
1 1 1 -4  25 44 o 27.05318 9.447416 41.42411       30.77503 49.49000       44.07445 33.75000       42.99072 29.36028 11.13912 26.58667 10.72356 2.773611       15.46204 
1 1 1 -4  25 45 o 40.42032 8.630085 94.80505       33.10555 71.42000       47.72142 116.5000       45.96462 33.28074 11.75317 42.95740 10.91198 -9.676659      16.03771 
1 1 1 -4  25 46 o 34.11842 9.427593 70.24192       32.52994 51.87000       46.98945 87.15000       45.07858 29.68498 11.44190 36.57949 11.38138 -6.894503      16.13855 
1 1 1 -4  25 47 o 18.60440 8.271133 -1.555121      30.22518 -28.56000      43.67308 23.27000       41.87341 19.05508 8.988602 24.56425 10.31035 -5.509169      13.67839 
1 1 1 -4  25 48 o 25.52403 10.60453 28.52000       43.63242 28.52000       43.63242 0.000000       0.000000 25.52403 10.60453 ?        ?        ?              ?        
1 1 1 -4  25 49 f 18.36933 8.212214 -2.966703      30.22990 0.4076000E-01  44.39813 -5.566000      41.27551 21.93898 9.868701 20.68981 9.390730 1.249172       13.62267 
1 1 1 -4  25 50 o 28.25695 11.01970 46.32000       43.97427 0.000000       0.000000 46.32000       43.97427 ?        ?        28.25695 11.01970 ?              ?        
1 1 1 -4  25 51 o 23.47322 9.258102 26.54738       31.33772 16.00000       44.74694 36.70000       43.90160 23.78016 10.33227 26.62155 10.80079 -2.841383      14.94700 
1 1 1 -4  25 52 o 25.04243 9.470485 34.65500       31.79829 30.02000       45.06736 39.25000       44.87243 25.52263 10.70342 26.88123 10.91463 -1.358601      15.28700 
1 1 1 -4  25 53 o 32.78118 11.56726 74.69000       46.21632 74.69000       46.21632 0.000000       0.000000 32.78118 11.56726 ?        ?        ?              ?        
1 1 1 -4  25 54 o 28.92949 9.530091 52.88609       31.27415 58.12000       43.95513 47.52000       44.50668 29.55134 11.14372 27.72254 11.00182 1.828800       15.65959 
1 1 1 -4  26 1  o 138.8755 3.522262 946.6281       47.84127 1034.000       102.7022 922.4149       54.06546 144.4811 7.285620 137.0247 4.035414 7.456314       8.328555 
1 1 1 -4  26 2  o 82.36961 3.446099 333.3516       27.72302 340.9000       62.69638 331.5171       30.90890 82.63893 7.844846 82.10187 3.856914 0.5370636      8.741705 
1 1 1 -4  26 3  o 168.6290 3.853281 1395.484       63.60174 1584.000       139.5834 1346.089       71.45003 178.6819 8.001105 165.4890 4.414842 13.19287       9.138299 
1 1 1 -4  26 4  o 144.2031 3.574259 1020.137       50.45066 1107.000       108.7560 996.3188       56.94889 149.4428 7.458414 142.3993 4.089981 7.043518       8.506227 
1 1 1 -4  26 5  o 181.7139 4.009707 1620.975       71.31931 1731.000       151.2675 1589.527       80.87211 186.6723 8.299399 179.7983 4.599003 6.873993       9.488459 
1 1 1 -4  26 6  o 52.64442 4.601482 137.2206       23.47325 175.5000       53.13306 127.9378       26.16505 58.64297 9.587386 50.71083 5.351892 7.932137       10.98001 
1 1 1 -4  26 7  o 184.3026 4.672528 1670.711       84.22466 1816.000       156.5642 1611.542       99.91383 191.1147 8.389804 180.7987 5.652726 10.31598       10.11643 
1 1 1 -4  26 8  o 146.2902 4.208496 1052.074       60.20004 1033.000       106.6446 1060.994       72.93099 144.2374 7.580220 146.7598 5.084582 -2.522415      9.127580 
1 1 1 -4  26 9  o 177.5627 4.626746 1551.175       80.34585 1766.000       152.3248 1468.369       94.57155 188.4027 8.280170 172.5421 5.607073 15.86060       10.00002 
1 1 1 -4  26 10 o 119.5179 4.806619 703.8427       56.11668 0.000000       0.000000 703.8427       56.11668 ?        ?        119.5179 4.806619 ?              ?        
1 1 1 -4  26 11 o 205.9441 5.049198 2088.300       101.7836 2130.000       181.8130 2069.266       122.8365 206.4506 9.018865 204.6199 6.139954 1.830704       10.91050 
1 1 1 -4  26 12 o 75.56326 4.271187 281.6114       31.46253 0.000000       0.000000 281.6114       31.46253 ?        ?        75.56326 4.271187 ?              ?        
1 1 1 -4  26 13 o 84.45404 3.725791 351.0402       30.72380 489.9000       69.65711 317.5009       34.23372 99.10838 7.230140 80.22198 4.376252 18.88639       8.451420 
1 1 1 -4  26 14 o 81.93683 3.227374 330.0474       25.83356 351.0000       62.47806 325.7264       28.37256 83.64951 7.717546 81.35699 3.571553 2.292526       8.503911 
1 1 1 -4  26 15 o 91.71751 3.070446 413.3408       27.52627 518.6000       70.04486 394.1163       29.93460 101.9333 7.063969 89.51317 3.422798 12.42014       7.849535 
1 1 1 -4  26 16 o 114.1232 3.157352 640.0005       35.23592 710.2000       82.82612 624.4882       38.93489 119.2639 7.127510 112.6728 3.534690 6.591133       7.955842 
1 1 1 -4  26 17 o 50.22000 7.416375 128.3777       35.36102 178.9000       53.03795 87.95000       47.44435 58.83695 9.535480 40.83057 11.42438 18.00638       14.88092 
1 1 1 -4  26 18 o 18.53246 5.589602 17.15058       10.98067 65.65000       47.67865 14.43405       11.28400 36.06788 11.76051 17.42523 5.723689 18.64265       13.07938 
1 1 1 -4  26 19 o 49.00272 7.633758 123.0058       35.42308 128.7000       52.35995 118.2000       48.10205 49.12679 11.14543 47.17218 10.66848 1.954601       15.42845 
1 1 1 -4  26 20 o 113.3738 5.098309 637.7280       56.43291 574.1000       78.41161 706.1000       81.28215 106.6866 7.557612 118.5963 7.033521 -11.90965      10.32414 
1 1 1 -4  26 21 o 40.79555 8.833660 87.52588       34.25088 47.79000       49.06292 125.3000       47.83648 32.55990 11.86574 48.51534 10.38670 -15.95544      15.76957 
1 1 1 -4  26 22 o 57.35578 6.591580 166.7001       36.33416 222.4000       53.74050 119.8000       49.31303 65.66052 8.565646 47.15553 10.90173 18.50499       13.86427 
1 1 1 -4  26 23 o 87.83279 5.278171 384.9703       45.16874 378.1000       63.29476 392.1000       64.47816 86.17197 7.581258 87.76407 7.579889 -1.592102      10.72055 
1 1 1 -4  26 24 o 49.38972 10.62465 131.9000       49.83855 131.9000       49.83855 0.000000       0.000000 49.38972 10.62465 ?        ?        ?              ?        
1 1 1 -4  26 25 o 121.4293 5.080329 735.1450       60.25055 768.3000       87.08264 704.7000       83.44781 122.9764 7.266811 117.7551 7.275370 5.221344       10.28288 
1 1 1 -4  26 26 o 41.33105 11.31587 94.20000       47.11110 0.000000       0.000000 94.20000       47.11110 ?        ?        41.33105 11.31587 ?              ?        
1 1 1 -4  26 27 o 72.46852 8.153223 272.6000       56.83193 0.000000       0.000000 272.6000       56.83193 ?        ?        72.46852 8.153223 ?              ?        
1 1 1 -4  26 28 o 79.64534 5.584244 319.5411       43.25837 244.4000       59.59904 403.2000       62.88640 67.94231 9.197753 88.64796 7.312365 -20.70564      11.75029 
1 1 1 -4  26 29 o 37.10968 9.526971 75.04553       34.78015 11.47000       49.05646 139.3000       49.31770 26.21050 11.08901 50.43607 10.33736 -24.22557      15.16005 
1 1 1 -4  26 30 o 77.11752 5.633159 300.7043       42.22847 291.7000       60.79279 309.1000       58.70222 74.46783 8.491791 77.03165 7.897043 -2.563828      11.59628 
1 1 1 -4  26 31 o 80.05796 5.398304 323.5457       42.05538 288.0000       59.85650 358.2000       59.10126 73.92094 8.422590 83.21429 7.330794 -9.293350      11.16605 
1 1 1 -4  26 32 o 68.95303 5.680841 241.8768       38.00197 218.5000       54.12799 264.6000       53.36592 63.79877 8.910403 70.98643 7.809214 -7.187653      11.84817 
1 1 1 -4  26 33 o 37.91585 8.882597 79.27260       32.38517 54.65000       46.38000 102.7000       45.24035 32.15491 11.56171 42.29068 10.86999 -10.13577      15.86915 
1 1 1 -4  26 34 f 65.56448 6.151973 221.9193       39.01989 149.9000       54.70660 296.5000       55.67095 50.71277 11.30912 74.80678 7.713397 -24.09401      13.68914 
1 1 1 -4  26 35 o 36.09247 9.338436 73.95599       33.24032 66.69000       47.37780 81.00000       46.64851 33.97079 11.72992 36.87881 11.59331 -2.908016      16.49230 
1 1 1 -4  26 36 o 21.15876 8.763640 11.71711       29.66922 5.307000       42.81280 17.64000       41.15359 23.20211 10.09354 24.59758 10.26554 -1.395475      14.39656 
1 1 1 -4  26 37 o 47.88232 10.09338 132.9000       45.81282 132.9000       45.81282 0.000000       0.000000 47.88232 10.09338 ?        ?        ?              ?        
1 1 1 -4  26 38 o 26.53031 9.300921 37.50873       29.84586 76.17000       42.63815 0.3677000      41.79144 35.55821 11.06987 22.17949 9.799942 13.37873       14.78448 
1 1 1 -4  26 39 o 36.14381 11.35874 79.96000       44.78328 0.000000       0.000000 79.96000       44.78328 ?        ?        36.14381 11.35874 ?              ?        
1 1 1 -4  26 40 o 29.00829 9.591867 48.05289       31.67106 22.40000       46.12294 70.94000       43.56567 25.69847 10.80577 34.06310 11.24923 -8.364637      15.59839 
1 1 1 -4  26 41 o 21.26723 8.836179 13.28143       30.29501 -56.48000      43.00585 82.00000       42.68319 17.04092 8.266232 36.36072 11.03179 -19.31979      13.78517 
1 1 1 -4  26 42 o 63.66228 5.988309 213.2717       36.87756 193.7000       51.66525 233.6000       52.65430 57.81551 9.456109 64.43347 8.560232 -6.617966      12.75522 
1 1 1 -4  26 43 o 59.22709 6.351835 187.3529       36.24898 201.4000       52.54838 174.6000       50.06905 58.64304 9.477660 54.24659 9.789679 4.396450       13.62585 
1 1 1 -4  26 44 o 28.23236 9.654728 46.74862       32.07395 64.15000       46.45715 30.90000       44.33599 31.89525 11.55759 26.13480 10.75777 5.760450       15.78947 
1 1 1 -4  26 45 o 20.14943 8.644644 7.939488       30.55348 11.27000       44.45966 4.959000       42.05855 23.38409 10.22714 22.16870 9.811482 1.215391       14.17250 
1 1 1 -4  26 46 o 46.06438 7.807963 119.8010       33.94933 138.5000       49.58474 103.3000       46.57928 46.61126 11.03929 39.67091 11.39499 6.940350       15.86542 
1 1 1 -4  26 47 o 25.33993 10.62910 26.76000       44.45849 26.76000       44.45849 0.000000       0.000000 25.33993 10.62910 ?        ?        ?              ?        
1 1 1 -4  26 48 o 26.81442 9.495704 41.65336       31.16747 71.42000       46.20455 16.80000       42.21944 32.95071 11.57088 23.59272 10.14249 9.357998       15.38686 
1 1 1 -4  26 49 o 26.02783 10.69278 32.80000       43.69056 0.000000       0.000000 32.80000       43.69056 ?        ?        26.02783 10.69278 ?              ?        
1 1 1 -4  26 50 o 45.30410 7.892447 117.2562       33.72772 90.39000       47.84283 143.8000       47.55486 36.35284 11.77541 47.79955 10.45564 -11.44671      15.74740 
1 1 1 -4  26 51 o 14.99186 7.165554 -29.80339      29.61508 -59.34000      40.69550 3.448000       43.17883 15.86965 7.772718 21.82237 9.780937 -5.952724      12.49327 
1 1 1 -4  26 52 o 20.93607 8.763157 15.49101       30.12106 5.713000       41.90817 25.94000       43.32222 21.69266 9.685571 24.51621 10.39862 -2.823544      14.21062 
1 1 1 -4  26 53 o 21.54744 8.935779 18.87954       30.89983 -21.19000      43.53458 59.56000       43.86521 19.14926 9.014945 29.76499 11.15186 -10.61573      14.33991 
1 1 1 -4  27 1  o 88.75196 3.397544 387.0635       29.46094 383.5000       63.80093 388.0292       33.21402 87.66135 7.507763 88.81458 3.829594 -1.153229      8.428066 
1 1 1 -4  27 2  o 117.9248 3.375515 682.8908       38.92281 661.1000       81.37888 689.3543       44.32105 115.3252 7.245726 118.4251 3.828524 -3.099899      8.195006 
1 1 1 -4  27 3  o 120.0296 3.385786 707.5028       39.73928 776.3000       86.76880 689.2419       44.70325 125.0284 7.119469 118.4085 3.862172 6.619896       8.099581 
1 1 1 -4  27 4  o 176.7800 3.953119 1535.018       68.40366 1653.000       145.3642 1501.462       77.52317 182.2003 8.171633 174.6790 4.537875 7.521255       9.347079 
1 1 1 -4  27 5  o 29.06461 7.387183 43.47970       21.05714 46.44000       46.84978 42.73029       23.57231 32.53308 11.62935 28.90163 8.040227 3.631445       14.13814 
1 1 1 -4  27 6  o 44.81662 5.128982 100.1970       22.09490 141.2000       50.40496 90.44444       24.58251 52.20435 10.23015 42.37468 6.102417 9.829670       11.91199 
1 1 1 -4  27 7  o 53.72147 5.246450 143.5497       27.23676 99.38000       51.77226 160.4527       32.02703 43.56776 11.83553 56.71994 5.852598 -13.15219      13.20351 
1 1 1 -4  27 8  f 171.3744 4.419524 1445.669       74.07389 0.000000       0.000000 1445.669       74.07389 ?        ?        171.3744 4.419524 ?              ?        
1 1 1 -4  27 9  o 159.5532 5.301462 1256.791       82.68064 0.000000       0.000000 1256.791       82.68064 ?        ?        159.5532 5.301462 ?              ?        
1 1 1 -4  27 10 o 121.8035 3.973325 730.1083       47.30845 866.4000       91.49803 680.3785       55.26952 131.9275 7.111783 117.4241 4.818877 14.50338       8.590636 
1 1 1 -4  27 11 o 80.61903 4.171652 320.5815       32.80743 482.6000       67.33649 270.1503       37.56800 98.33676 7.042276 73.81448 5.233543 24.52229       8.774032 
1 1 1 -4  27 12 o 161.7334 4.337245 1288.727       68.60056 1356.000       126.5273 1260.718       81.64183 164.6677 7.872804 159.7250 5.229008 4.942657       9.451115 
1 1 1 -4  27 13 o 90.01699 3.640054 398.9891       32.00678 450.4000       67.66643 384.1713       36.32766 94.80281 7.349343 88.23462 4.218441 6.568192       8.473966 
1 1 1 -4  27 14 o 110.0275 3.590331 595.8519       38.61535 0.000000       0.000000 595.8519       38.61535 ?        ?        110.0275 3.590331 ?              ?        
1 1 1 -4  27 15 o 165.1170 4.300436 1344.709       69.44495 1458.000       132.8664 1302.128       81.45686 170.3452 7.990819 162.2123 5.136714 8.132843       9.499422 
1 1 1 -4  27 16 o 55.99694 3.282426 154.6633       17.91253 246.0000       53.60546 143.1828       19.00496 69.56337 8.019266 53.82343 3.628566 15.73994       8.801995 
1 1 1 -4  27 17 o 177.4302 3.895136 1551.030       67.64822 1604.000       143.7898 1535.973       76.66232 178.2028 8.265938 176.3358 4.445100 1.867004       9.385342 
1 1 1 -4  27 18 o 106.9722 3.810778 564.5694       39.83788 606.6000       77.87575 549.6718       46.36359 109.7404 7.291207 105.3812 4.505167 4.359200       8.570778 
1 1 1 -4  27 19 o 121.6940 5.076493 735.3661       60.33709 770.0000       87.16270 703.5000       83.60737 123.6275 7.234551 118.1366 7.265404 5.490837       10.25304 
1 1 1 -4  27 20 o 65.94047 6.053601 218.7358       38.63695 165.1000       53.22170 278.5000       56.18003 55.82343 10.11239 73.81970 7.897634 -17.99627      12.83094 
1 1 1 -4  27 21 o 113.0180 5.103379 635.9692       56.31055 607.2000       78.29262 666.8000       81.04919 109.4299 7.352010 114.7478 7.253138 -5.317924      10.32764 
1 1 1 -4  27 22 o 72.06754 8.154295 267.7000       56.51242 267.7000       56.51242 0.000000       0.000000 72.06754 8.154295 ?        ?        ?              ?        
1 1 1 -4  27 23 o 77.99462 7.887703 312.7000       59.39056 312.7000       59.39056 0.000000       0.000000 77.99462 7.887703 ?        ?        ?              ?        
1 1 1 -4  27 24 o 45.89956 8.024165 110.4456       34.73895 101.8000       48.97535 119.2000       49.28269 42.90453 11.44934 46.58604 10.98721 -3.681507      15.86841 
1 1 1 -4  27 25 o 79.98367 8.073178 331.1000       62.34097 0.000000       0.000000 331.1000       62.34097 ?        ?        79.98367 8.073178 ?              ?        
1 1 1 -4  27 26 o 46.00610 8.291843 111.9803       35.96656 83.92000       51.06686 139.6000       50.66433 38.90617 12.11511 50.44939 10.59743 -11.54322      16.09601 
1 1 1 -4  27 27 o 85.20654 5.433490 365.2632       45.08057 340.6000       63.96688 389.6000       63.54234 80.88701 8.192060 86.94118 7.541260 -6.054176      11.13465 
1 1 1 -4  27 28 o 29.20021 9.930092 43.47166       33.92153 3.340000       49.09197 80.14000       46.92588 25.09921 10.86418 37.90260 11.58068 -12.80338      15.87899 
1 1 1 -4  27 29 o 25.52917 9.580215 28.29515       32.39986 18.51000       47.07842 37.10000       44.65797 26.62263 11.03415 29.17239 11.17748 -2.549751      15.70632 
1 1 1 -4  27 30 o 46.78539 7.863343 116.1180       34.73399 91.23000       50.96775 137.7000       47.46195 39.86342 12.04660 49.92476 10.06034 -10.06134      15.69494 
1 1 1 -4  27 31 o 61.68290 6.212415 195.7020       36.99826 202.4000       54.05912 189.8000       50.74488 60.97200 9.356318 59.20464 9.042866 1.767365       13.01208 
1 1 1 -4  27 32 o 85.78825 5.267835 373.3459       44.02171 380.4000       63.20486 366.7000       61.34880 84.95058 7.684135 83.46759 7.591987 1.482994       10.80205 
1 1 1 -4  27 33 o 80.11062 5.425287 327.4645       42.29116 314.7000       60.32644 339.8000       59.30415 76.59811 8.172134 80.03025 7.664036 -3.432144      11.20363 
1 1 1 -4  27 34 o 50.35977 7.277198 135.4954       34.83284 112.0000       50.44971 156.9000       48.15268 43.02203 11.68174 52.66750 9.697762 -9.645470      15.18255 
1 1 1 -4  27 35 o 37.87073 8.660301 80.49510       31.40287 65.15000       44.50528 95.71000       44.31606 33.40589 11.37398 40.01871 10.98249 -6.612820      15.81084 
1 1 1 -4  27 36 o 56.62542 8.992338 179.5000       48.17718 179.5000       48.17718 0.000000       0.000000 56.62542 8.992338 ?        ?        ?              ?        
1 1 1 -4  27 37 o 35.94463 8.761251 73.57924       30.54048 76.02000       43.37722 71.18000       43.00667 35.39933 11.18628 34.37027 11.16681 1.029057       15.80603 
1 1 1 -4  27 38 o 43.25854 10.92967 113.6000       46.28884 0.000000       0.000000 113.6000       46.28884 ?        ?        43.25854 10.92967 ?              ?        
1 1 1 -4  27 39 o 54.06293 6.671576 156.1361       34.55667 164.1000       49.90511 148.8000       47.89772 52.86870 10.01005 50.21111 10.09597 2.657589       14.21723 
1 1 1 -4  27 40 o 43.77430 8.100598 107.4564       33.43098 69.11000       47.46693 145.2000       47.09240 33.36313 11.72692 49.44621 10.07242 -16.08308      15.45879 
1 1 1 -4  27 41 o 21.76308 8.894116 16.76900       30.02960 -6.272000      42.06726 40.71000       42.88097 21.10482 9.539502 27.87363 10.87850 -6.768805      14.46872 
1 1 1 -4  27 42 o 53.84050 6.755630 156.9615       34.82082 174.3000       49.81832 140.4000       48.68925 54.16026 9.756050 47.58758 10.71195 6.572685       14.48884 
1 1 1 -4  27 43 o 23.88507 9.253317 27.87732       30.84744 15.80000       44.54068 39.01000       42.76333 23.99320 10.36683 27.22072 10.79011 -3.227524      14.96321 
1 1 1 -4  27 44 o 43.92136 8.116307 110.0828       33.60816 156.0000       49.34060 70.34000       45.90354 50.36572 10.35452 32.94662 11.53587 17.41909       15.50137 
1 1 1 -4  27 45 o 21.42106 8.861016 16.08510       30.27927 8.684000       43.90173 22.80000       41.81701 22.87365 10.07807 24.43067 10.28181 -1.557016      14.39733 
1 1 1 -4  27 46 o 45.97967 10.94248 135.1000       48.53226 135.1000       48.53226 0.000000       0.000000 45.97967 10.94248 ?        ?        ?              ?        
1 1 1 -4  27 47 o 21.06100 8.850055 13.63119       30.90699 70.17000       45.49655 -34.82000      42.11700 32.69053 11.48170 18.08770 8.617476 14.60283       14.35585 
1 1 1 -4  27 48 o 39.80820 11.43410 105.7000       46.90024 0.000000       0.000000 105.7000       46.90024 ?        ?        39.80820 11.43410 ?              ?        
1 1 1 -4  27 49 o 36.98708 9.086970 82.82195       32.65774 68.46000       46.01355 97.40000       46.35842 32.10403 11.51933 37.95434 11.49309 -5.850307      16.27224 
1 1 1 -4  27 50 o 16.11053 7.527734 -18.04684      29.39800 -18.10000      40.89807 -17.99000      42.28680 19.08999 8.906352 19.40826 9.055322 -0.3182659     12.70126 
1 1 1 -4  27 51 o 24.79132 9.356956 34.60664       31.00515 34.64000       42.85301 34.57000       44.91548 25.74596 10.58476 25.91167 10.76192 -0.1657066     15.09490 
1 1 1 -4  27 52 o 21.45362 8.864543 19.13267       30.25718 13.69000       42.16589 24.91000       43.44290 22.50008 9.896499 24.13754 10.33085 -1.637457      14.30619 
1 1 1 -4  28 1  f 122.9369 3.392061 742.6598       40.77902 769.6000       87.33311 735.1483       46.11494 124.2817 7.209981 122.2408 3.858902 2.040901       8.177711 
1 1 1 -4  28 2  o 75.11556 3.473643 277.6851       25.47088 263.9000       57.99537 280.9795       28.35153 72.26170 8.352942 75.51341 3.848404 -3.251717      9.196840 
1 1 1 -4  28 3  o 122.8907 3.357006 742.0768       40.34321 843.9000       90.18326 716.6020       45.10844 130.1803 7.104336 120.6895 3.823228 9.490814       8.067755 
1 1 1 -4  28 4  o 95.07269 3.834266 444.9987       35.60839 492.6000       68.76432 427.5575       41.62377 99.34339 7.118793 93.06915 4.583183 6.274246       8.466569 
1 1 1 -4  28 5  o 74.61878 3.481735 274.0873       25.36011 290.3000       57.71300 270.2077       28.23176 75.92566 7.880135 74.03166 3.909820 1.893997       8.796773 
1 1 1 -4  28 6  o 38.84797 4.920657 75.57420       18.29191 141.1000       49.63509 65.27639       19.67683 52.05821 10.10526 35.89342 5.798159 16.16479       11.65053 
1 1 1 -4  28 7  o 79.29802 4.920363 311.3035       38.00327 0.000000       0.000000 311.3035       38.00327 ?        ?        79.29802 4.920363 ?              ?        
1 1 1 -4  28 8  o 115.9692 4.743207 664.2210       53.72836 0.000000       0.000000 664.2210       53.72836 ?        ?        115.9692 4.743207 ?              ?        
1 1 1 -4  28 9  o 22.11748 6.489506 24.71852       14.96266 124.2000       49.54470 14.73463       15.69553 48.53821 10.71523 18.71087 6.726055 29.82734       12.65132 
1 1 1 -4  28 10 f 105.7070 3.983956 550.7794       41.14779 634.4000       77.44131 517.8841       48.57159 112.6314 7.059869 102.3175 4.863753 10.31400       8.573089 
1 1 1 -4  28 11 o 117.2490 4.026068 677.7582       46.13726 756.9000       86.44009 646.2296       54.55877 122.9458 7.214534 114.2876 4.888366 8.658195       8.714679 
1 1 1 -4  28 12 o 38.73471 4.587554 75.05616       17.05627 74.28000       50.84232 75.15459       18.10549 37.99258 12.12318 38.70425 4.887894 -0.7116699     13.07145 
1 1 1 -4  28 13 o 43.69121 4.585093 95.25823       19.31689 100.3000       51.58763 94.43604       20.83250 43.27978 11.83801 43.42293 4.992061 -0.1431541     12.84754 
1 1 1 -4  28 14 o 89.70161 3.186604 396.0786       27.93470 346.4000       64.78313 407.4254       30.96099 82.56040 8.121504 90.92812 3.485100 -8.367722      8.837688 
1 1 1 -4  28 15 o 60.29157 3.365426 179.4060       19.78226 181.8000       52.73244 179.0139       21.34085 59.07594 9.436652 60.18284 3.639718 -1.106899      10.11425 
1 1 1 -4  28 16 o 68.46973 3.398285 231.3154       22.70415 0.000000       0.000000 231.3154       22.70415 ?        ?        68.46973 3.398285 ?              ?        
1 1 1 -4  28 17 o 61.68282 3.438182 187.9490       20.67652 154.4000       51.55649 194.3791       22.57119 53.96244 10.13281 62.68798 3.694828 -8.725536      10.78543 
1 1 1 -4  28 18 o 101.8887 3.026387 511.1670       30.14915 565.1000       71.64833 499.5624       33.23478 105.7971 6.957337 100.6495 3.378244 5.147621       7.734150 
1 1 1 -4  28 19 f 138.9767 5.231744 962.4351       71.04256 987.0000       101.7845 939.1000       99.20393 139.4547 7.484038 136.0226 7.479739 3.432037       10.58099 
1 1 1 -4  28 20 o 89.03011 5.229784 396.0295       45.37430 425.4000       65.11141 368.3000       63.26626 91.39787 7.339702 84.83698 7.702571 6.560898       10.63959 
1 1 1 -4  28 21 o 45.98546 11.15856 116.2000       49.71004 116.2000       49.71004 0.000000       0.000000 45.98546 11.15856 ?        ?        ?              ?        
1 1 1 -4  28 22 o 84.47829 5.359937 357.7453       44.09261 414.9000       64.03039 306.2000       60.80714 90.10793 7.322733 76.90651 8.204191 13.20142       10.99687 
1 1 1 -4  28 23 o 61.22535 6.257952 190.6394       36.97639 207.7000       53.55703 175.1000       51.11353 62.75502 8.974110 57.31852 9.438588 5.436504       13.02388 
1 1 1 -4  28 24 o 32.25842 11.52824 51.64000       46.03566 0.000000       0.000000 51.64000       46.03566 ?        ?        32.25842 11.52824 ?              ?        
1 1 1 -4  28 25 o 55.79131 6.942039 160.4734       37.09282 158.4000       53.44690 162.4000       51.52045 53.76520 10.53274 54.73984 9.983177 -0.9746399     14.51215 
1 1 1 -4  28 26 o 52.46084 7.374146 143.3314       36.82250 150.4000       53.79543 137.1000       50.50951 52.05339 10.90783 49.75267 10.69041 2.300728       15.27303 
1 1 1 -4  28 27 o 104.1867 5.176872 545.5745       52.62879 546.3000       75.82343 544.9000       73.10754 102.7271 7.594412 102.7971 7.313419 -0.7009125E-01 10.54330 
1 1 1 -4  28 28 o 78.95298 5.527191 315.4544       42.44507 306.4000       60.73197 324.1000       59.34486 76.29425 8.264208 78.78280 7.797841 -2.488548      11.36237 
1 1 1 -4  28 29 o 57.40544 6.586364 170.5432       36.33927 151.9000       52.18048 188.1000       50.63725 51.99789 10.61180 58.98410 9.059853 -6.986206      13.95318 
1 1 1 -4  28 30 o 55.21733 6.696918 158.8131       35.45671 144.0000       50.87843 172.8000       49.43925 50.34231 10.65762 56.14496 9.322959 -5.802647      14.15989 
1 1 1 -4  28 31 o 31.64528 9.628602 55.91714       32.48400 57.33000       46.76644 54.60000       45.15459 32.42232 11.61562 31.80384 11.41134 0.6184788      16.28316 
1 1 1 -4  28 32 o 40.45847 8.761942 91.24008       33.69264 102.3000       47.24094 79.79000       48.06699 41.40614 11.32944 36.58667 11.79891 4.819477       16.35758 
1 1 1 -4  28 33 o 44.08967 7.806284 105.8370       32.45621 110.8000       45.73118 100.8000       46.07073 43.26243 10.82634 41.01530 11.17426 2.247128       15.55872 
1 1 1 -4  28 34 o 45.90282 7.410322 113.8643       32.16160 90.00000       43.65214 142.2000       47.56625 38.69475 11.00436 49.52360 10.15372 -10.82885      14.97311 
1 1 1 -4  28 35 o 31.87543 11.07374 58.94000       42.25324 58.94000       42.25324 0.000000       0.000000 31.87543 11.07374 ?        ?        ?              ?        
1 1 1 -4  28 36 o 66.08604 5.723089 226.7670       36.65630 201.2000       50.55877 255.1000       53.22351 59.90721 8.891424 68.22324 8.129885 -8.316036      12.04792 
1 1 1 -4  28 37 o 45.77341 10.73794 126.4000       47.27506 0.000000       0.000000 126.4000       47.27506 ?        ?        45.77341 10.73794 ?              ?        
1 1 1 -4  28 38 o 53.67801 6.619449 153.9384       34.04366 189.8000       48.18647 118.2000       48.10364 57.97326 8.764996 43.62346 11.20669 14.34980       14.22726 
1 1 1 -4  28 39 f 31.71826 9.405329 59.41002       31.29164 76.14000       44.92146 43.64000       43.61362 34.76353 11.42021 28.48087 11.01112 6.282660       15.86398 
1 1 1 -4  28 40 o 29.95393 9.500863 52.97930       31.26495 36.46000       44.34280 69.31000       44.08893 27.21453 10.92082 33.23166 11.32054 -6.017136      15.72956 
1 1 1 -4  28 41 o 29.57232 9.472941 52.12662       31.01993 13.02000       44.03165 90.66000       43.70775 23.58736 10.24892 37.55115 11.11089 -13.96379      15.11596 
1 1 1 -4  28 42 o 49.39508 7.391469 135.5025       34.64032 175.0000       50.61403 100.7000       47.51072 53.81453 9.975966 39.02304 11.59373 14.79148       15.29492 
1 1 1 -4  28 43 o 17.50457 7.962349 -8.930449      29.87477 -36.64000      42.34501 18.53000       42.15424 18.06587 8.616467 23.90868 10.20318 -5.842815      13.35471 
1 1 1 -4  28 44 o 24.69357 9.342895 32.25389       30.95564 41.78000       44.42080 23.26000       43.16211 27.61155 10.98036 24.64002 10.41192 2.971527       15.13197 
1 1 1 -4  28 45 o 41.62028 11.27059 113.7000       47.03634 113.7000       47.03634 0.000000       0.000000 41.62028 11.27059 ?        ?        ?              ?        
1 1 1 -4  28 46 o 33.18229 9.540898 67.76631       32.63876 46.73000       47.21450 87.02000       45.16973 28.48611 11.32291 36.10382 11.41586 -7.617708      16.07887 
1 1 1 -4  28 47 o 22.25834 9.894285 5.865000       43.23760 0.000000       0.000000 5.865000       43.23760 ?        ?        22.25834 9.894285 ?              ?        
1 1 1 -4  28 48 o 13.88296 6.752635 -41.47482      29.22150 -50.90000      41.29306 -32.02000      41.35791 16.60196 8.064126 18.02789 8.574965 -1.425938      11.77116 
1 1 1 -4  28 49 o 29.37694 9.544133 53.56031       31.41614 26.57000       43.48107 83.04000       45.44203 24.77729 10.45912 34.76219 11.48929 -9.984900      15.53695 
1 1 1 -4  28 50 o 20.86822 8.809655 14.41260       30.85178 47.41000       42.24782 -23.29000      45.15960 27.78795 10.81132 19.41218 9.151927 8.375769       14.16483 
1 1 1 -4  28 51 o 27.33536 9.533594 46.88666       31.33327 38.63000       43.48812 55.80000       45.18442 26.08543 10.68681 28.93605 11.20208 -2.850618      15.48208 
1 1 1 -4  29 1  o 125.0640 3.417438 769.3483       41.79574 735.7000       85.65380 779.8640       47.88338 121.2349 7.251064 125.8230 3.892612 -4.588120      8.229846 
1 1 1 -4  29 2  o 119.2189 3.355254 699.0587       39.11513 770.7000       85.20008 679.9262       44.02943 124.1656 7.039068 117.4861 3.833825 6.679466       8.015403 
1 1 1 -4  29 3  f 108.5207 3.857928 580.3091       40.91491 584.2000       75.07157 578.6650       48.79954 108.0042 7.141228 108.2081 4.617952 -0.2039337     8.504271 
1 1 1 -4  29 4  o 83.26910 3.342908 341.3359       27.19136 421.0000       63.89440 323.7173       30.04813 91.58499 7.184901 81.01833 3.799613 10.56667       8.127722 
1 1 1 -4  29 5  o 146.2800 3.574794 1052.451       51.18495 1232.000       114.5075 1007.617       57.21971 156.7932 7.482649 142.9630 4.093200 13.83022       8.529028 
1 1 1 -4  29 6  o 129.9927 3.877609 832.6990       49.28373 0.000000       0.000000 832.6990       49.28373 ?        ?        129.9927 3.877609 ?              ?        
1 1 1 -4  29 7  o 128.8116 4.047692 818.2891       50.97173 1015.000       100.9830 751.0370       59.04548 142.3048 7.273869 123.1774 4.907038 19.12743       8.774292 
1 1 1 -4  29 8  o 72.24949 4.377406 258.4559       30.81168 299.4000       58.76542 242.9325       36.18419 76.82905 7.928025 69.84042 5.333389 6.988632       9.555032 
1 1 1 -4  29 9  o 78.57335 3.299452 304.1154       25.31953 290.9000       58.59980 307.1489       28.07549 75.64908 8.036655 78.90912 3.644757 -3.260040      8.824515 
1 1 1 -4  29 10 o 135.1142 3.457556 898.8982       45.68982 1048.000       102.6346 862.0467       51.02464 144.4318 7.283307 132.1921 3.947799 12.23972       8.284424 
1 1 1 -4  29 11 o 19.63978 7.958120 8.852609       23.79902 73.01000       45.62329 -15.13164      27.89500 37.27979 11.42425 17.01414 7.721452 20.26565       13.78892 
1 1 1 -4  29 12 o 118.5095 3.965923 693.4329       45.94004 825.1000       88.27870 644.5327       53.79875 128.0963 7.068052 114.0064 4.831952 14.08992       8.561841 
1 1 1 -4  29 13 o 24.20411 6.602361 30.26509       16.07211 39.38000       46.47069 29.02668       17.12918 30.61519 11.47664 23.81170 6.931426 6.803492       13.40738 
1 1 1 -4  29 14 o 55.45166 4.013855 152.5791       21.63878 117.7000       50.42896 160.4504       23.95633 46.61308 11.19389 56.80652 4.341286 -10.19344      12.00625 
1 1 1 -4  29 15 o 22.54343 5.917182 26.29078       13.21955 46.15000       44.58908 24.37699       13.84187 31.47694 11.33397 21.79498 6.196166 9.681961       12.91710 
1 1 1 -4  29 16 o 62.35661 3.148731 191.9380       19.15652 194.7000       51.66384 191.4978       20.62688 61.06041 8.906261 62.24118 3.398604 -1.180771      9.532681 
1 1 1 -4  29 17 o 79.77304 3.012885 313.7044       23.48355 294.7000       59.02763 317.2780       25.59641 75.64556 8.097820 80.17603 3.268434 -4.530472      8.732546 
1 1 1 -4  29 18 o 103.4977 3.417262 528.8934       34.57158 0.000000       0.000000 528.8934       34.57158 ?        ?        103.4977 3.417262 ?              ?        
1 1 1 -4  29 19 o 23.52046 10.28551 -3.458000      44.95636 -3.458000      44.95636 0.000000       0.000000 23.52046 10.28551 ?        ?        ?              ?        
1 1 1 -4  29 20 o 30.00257 11.29970 39.45000       45.16250 39.45000       45.16250 0.000000       0.000000 30.00257 11.29970 ?        ?        ?              ?        
1 1 1 -4  29 21 o 65.81299 6.132981 219.8313       39.05361 293.8000       56.82029 153.6000       53.76645 75.38018 7.814082 52.94993 10.74158 22.43025       13.28313 
1 1 1 -4  29 22 o 71.52718 8.231232 266.9000       56.57970 0.000000       0.000000 266.9000       56.57970 ?        ?        71.52718 8.231232 ?              ?        
1 1 1 -4  29 23 f 99.40414 7.332615 507.6000       70.84378 0.000000       0.000000 507.6000       70.84378 ?        ?        99.40414 7.332615 ?              ?        
1 1 1 -4  29 24 o 40.94292 8.925416 90.63704       34.75800 46.89000       49.61478 132.8000       48.70823 31.61996 11.85744 49.04002 10.46607 -17.42006      15.81573 
1 1 1 -4  29 25 o 82.43942 5.469940 343.2021       43.88950 385.6000       64.06281 305.7000       60.25069 86.15616 7.676818 76.34138 8.190916 9.814774       11.22607 
1 1 1 -4  29 26 o 43.38257 8.489153 101.2809       34.75702 73.15000       49.89513 127.8000       48.44467 36.27570 12.04089 47.78917 10.63087 -11.51347      16.06233 
1 1 1 -4  29 27 o 40.13793 8.999383 88.33593       34.48180 64.51000       49.22004 111.3000       48.32163 34.39155 11.95162 44.09193 11.18180 -9.700382      16.36686 
1 1 1 -4  29 28 o 79.82697 5.475508 323.8167       42.52479 304.3000       59.78703 343.8000       60.49752 75.67822 8.202012 80.81763 7.742162 -5.139412      11.27892 
1 1 1 -4  29 29 o 18.82810 8.369018 -5.994104      30.93014 -32.34000      43.97944 19.79000       43.50801 19.62525 9.182143 25.64779 10.61673 -6.022541      14.03662 
1 1 1 -4  29 30 o 39.08696 8.855397 85.28400       33.09261 86.29000       47.06076 84.30000       46.54356 38.07041 11.59048 37.67401 11.53773 0.3964005      16.35416 
1 1 1 -4  29 31 o 65.78091 5.894197 223.9321       37.54984 225.7000       53.37651 222.2000       52.83461 64.06117 8.740033 63.57203 8.720319 0.4891434      12.34634 
1 1 1 -4  29 32 o 42.03448 8.006515 97.16645       31.73979 114.6000       44.84008 79.66000       44.93374 44.10278 10.53250 36.37160 11.37025 7.731174       15.49890 
1 1 1 -4  29 33 o 34.35039 11.04315 70.53000       42.12862 70.53000       42.12862 0.000000       0.000000 34.35039 11.04315 ?        ?        ?              ?        
1 1 1 -4  29 34 o 55.31735 6.588449 162.1906       34.97368 199.2000       47.02928 116.4000       52.31189 60.18693 8.195592 43.05706 11.97730 17.12987       14.51287 
1 1 1 -4  29 35 o 33.12672 9.225696 63.61691       31.01744 51.87000       42.61588 76.85000       45.23144 30.29223 11.05573 35.34377 11.44961 -5.051535      15.91612 
1 1 1 -4  29 36 o 62.01315 8.691014 215.8000       51.30834 0.000000       0.000000 215.8000       51.30834 ?        ?        62.01315 8.691014 ?              ?        
1 1 1 -4  29 37 o 47.26818 7.263760 121.9250       32.53378 101.8000       44.69748 144.6000       47.44476 40.49469 10.99568 49.28035 10.17307 -8.785656      14.97986 
1 1 1 -4  29 38 o 43.77784 7.763810 106.7815       32.05058 80.84000       43.93174 136.3000       46.86283 35.77349 11.25132 47.45880 10.37785 -11.68531      15.30660 
1 1 1 -4  29 39 o 47.71442 7.328518 125.4534       33.13452 61.66000       43.96833 209.3000       50.40746 31.60200 11.26944 60.49286 8.768369 -28.89086      14.27882 
1 1 1 -4  29 40 o 28.58117 9.587735 48.44228       31.62111 40.43000       44.60087 56.54000       44.83806 27.58169 10.99140 30.38531 11.29653 -2.803616      15.76143 
1 1 1 -4  29 41 o 36.18726 9.171598 78.65408       32.52322 68.93000       46.11188 88.28000       45.87857 32.57529 11.54865 36.51154 11.49989 -3.936256      16.29782 
1 1 1 -4  29 42 o 31.93733 9.491284 62.06928       31.83801 73.19000       44.81805 50.74000       45.23637 33.48161 11.41361 29.24539 11.23839 4.236217       16.01786 
1 1 1 -4  29 43 o 23.19882 9.149806 25.44647       30.60864 50.24000       43.74809 1.671000       42.84050 28.95766 11.07104 21.76634 9.750193 7.191320       14.75243 
1 1 1 -4  29 44 o 23.96987 10.28298 19.04000       43.22621 19.04000       43.22621 0.000000       0.000000 23.96987 10.28298 ?        ?        ?              ?        
1 1 1 -4  29 45 o 20.29765 8.727982 8.828019       31.27832 2.876000       45.23711 14.28000       43.29522 22.28397 9.997752 23.32194 10.14790 -1.037968      14.24552 
1 1 1 -4  29 46 o 62.54224 6.382871 211.7674       38.52750 221.7000       56.97721 203.4000       52.29557 60.10462 10.03852 58.11358 9.523059 1.991043       13.83692 
1 1 1 -4  29 47 o 19.95158 8.604329 8.184115       30.56990 23.28000       43.43155 -6.638000      43.03592 24.40255 10.38339 20.72285 9.476129 3.679697       14.05745 
1 1 1 -4  29 48 o 20.91714 8.774693 14.81461       30.30294 11.30000       41.84552 18.69000       43.94087 22.45239 9.867751 23.71866 10.27249 -1.266270      14.24418 
1 1 1 -4  29 49 o 28.50270 9.618129 50.96215       31.81980 58.60000       43.44072 42.12000       46.74020 29.76083 11.10840 27.08155 11.08525 2.679274       15.69329 
1 1 1 -4  29 50 o 25.75339 9.381523 40.21140       30.66539 46.67000       42.56245 33.24000       44.21985 27.30446 10.78319 25.29321 10.60443 2.011251       15.12386 
1 1 1 -4  30 1  o 58.71430 4.749215 171.5618       27.06153 190.9000       51.76410 164.2889       31.74507 60.75168 8.974730 57.22721 5.744804 3.524475       10.65592 
1 1 1 -4  30 2  o 126.0505 3.960439 784.0743       48.80394 880.7000       91.61728 745.7927       57.66687 132.4195 7.094264 122.6907 4.811176 9.728813       8.571815 
1 1 1 -4  30 3  o 64.54333 3.644041 205.8006       22.92837 258.0000       54.38361 194.5164       25.28549 71.15249 7.943948 62.65588 4.146225 8.496605       8.960886 
1 1 1 -4  30 4  o 28.80648 6.587625 43.05265       18.16994 73.05000       47.47142 37.90366       19.66763 37.36107 11.68800 27.02788 7.274637 10.33319       13.76698 
1 1 1 -4  30 5  o 72.29874 3.841312 258.3659       27.08663 0.000000       0.000000 258.3659       27.08663 ?        ?        72.29874 3.841312 ?              ?        
1 1 1 -4  30 6  o 145.0773 3.569100 1036.578       50.68323 1151.000       110.2200 1005.896       57.07549 151.1125 7.474874 142.7172 4.089923 8.395279       8.520635 
1 1 1 -4  30 7  o 86.14220 3.270813 365.6425       27.52886 444.1000       64.38136 348.0883       30.45320 93.84180 7.060812 83.96297 3.714628 9.878822       7.978316 
1 1 1 -4  30 8  o 63.32894 3.546641 198.1649       21.89712 246.2000       53.94875 188.6906       23.95948 69.33779 8.101373 61.71336 3.987706 7.624435       9.029620 
1 1 1 -4  30 9  o 53.70446 3.779950 142.9203       19.74330 191.5000       51.20736 134.4379       21.39767 60.73050 8.876466 51.99372 4.241266 8.736782       9.837682 
1 1 1 -4  30 10 o 110.5786 3.276788 602.5361       35.42797 563.5000       75.24311 613.6553       40.15797 105.5018 7.331810 111.4952 3.684736 -5.993378      8.205651 
1 1 1 -4  30 11 o 62.83290 3.448313 195.1235       21.12671 280.3000       54.28285 179.9183       22.93502 74.10313 7.590925 60.24172 3.910650 13.86141       8.539047 
1 1 1 -4  30 12 f 24.63929 8.334984 29.26572       23.89633 9.494000       45.11907 36.97404       28.17200 25.40484 10.68523 27.29694 9.047270 -1.892094      14.00097 
1 1 1 -4  30 13 o 75.19556 3.250623 279.1012       23.86921 335.2000       59.17827 268.2014       26.08518 80.99052 7.551908 73.63219 3.630456 7.358330       8.379231 
1 1 1 -4  30 14 o 24.70989 6.297595 31.81591       15.27423 145.5000       48.11083 19.07286       16.10756 52.20433 9.774346 20.11786 6.842725 32.08647       11.93150 
1 1 1 -4  30 15 o 111.3382 3.225331 611.4667       35.11290 680.9000       79.82176 594.8074       39.09900 115.8081 7.075444 109.6903 3.646660 6.117828       7.959902 
1 1 1 -4  30 16 o 54.65554 3.359067 147.9053       17.88364 153.1000       51.51291 147.1935       19.06972 53.25524 10.25409 54.47752 3.596309 -1.222286      10.86645 
1 1 1 -4  30 17 o 46.05536 3.529501 105.3545       15.78984 119.1000       49.28576 103.7823       16.66841 46.47504 11.00525 45.66274 3.762646 0.8123016      11.63069 
1 1 1 -4  30 18 o 70.63831 3.654931 247.3482       25.18525 0.000000       0.000000 247.3482       25.18525 ?        ?        70.63831 3.654931 ?              ?        
1 1 1 -4  30 19 o 45.06928 11.31034 113.4000       49.81001 113.4000       49.81001 0.000000       0.000000 45.06928 11.31034 ?        ?        ?              ?        
1 1 1 -4  30 20 o 32.30244 11.79260 50.95000       48.49077 0.000000       0.000000 50.95000       48.49077 ?        ?        32.30244 11.79260 ?              ?        
1 1 1 -4  30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  30 22 o 75.74512 5.800861 290.7646       42.68115 281.9000       61.31088 299.1000       59.45253 73.02320 8.751829 75.59557 8.164012 -2.572365      11.96853 
1 1 1 -4  30 23 o 106.0705 5.195534 565.8801       53.77836 561.6000       76.32539 570.1000       75.78565 104.1399 7.538686 105.0173 7.420363 -0.8774490     10.57798 
1 1 1 -4  30 24 o 82.88445 5.537589 347.7117       44.66851 312.5000       62.53198 384.4000       63.82965 76.90097 8.446238 85.89849 7.672236 -8.997520      11.41062 
1 1 1 -4  30 25 o 61.77211 6.465374 196.7726       38.51403 155.2000       54.35173 238.7000       54.58313 52.37579 10.95448 66.91261 8.527297 -14.53682      13.88220 
1 1 1 -4  30 26 o 105.5842 5.210711 563.6830       53.68565 579.6000       77.36516 548.9000       74.55856 105.2360 7.561000 102.4652 7.485511 2.770782       10.63962 
1 1 1 -4  30 27 f 26.44751 9.639167 34.18454       32.37858 30.68000       46.47453 37.49000       45.13529 27.83145 11.17616 28.75674 11.17848 -0.9252892     15.80711 
1 1 1 -4  30 28 o 75.12046 5.634063 289.2089       41.12543 247.0000       57.22322 334.3000       59.14464 67.18267 8.922160 79.28493 7.718714 -12.10226      11.79761 
1 1 1 -4  30 29 o 47.97012 7.501112 123.9410       34.06824 124.6000       48.51688 123.3000       47.84959 45.86984 10.95666 45.69276 10.85938 0.1770821      15.42643 
1 1 1 -4  30 30 o 52.32513 6.691998 144.7680       33.49114 136.5000       47.27249 153.1000       47.45530 48.47612 10.28174 51.84947 9.707159 -3.373348      14.14012 
1 1 1 -4  30 31 o 50.46340 6.836723 135.6485       32.90217 134.3000       46.50571 137.0000       46.55573 47.95018 10.22112 48.51125 10.13185 -0.5610695     14.39186 
1 1 1 -4  30 32 o 31.78484 11.24601 58.69000       43.70844 58.69000       43.70844 0.000000       0.000000 31.78484 11.24601 ?        ?        ?              ?        
1 1 1 -4  30 33 o 22.31184 8.994958 18.39778       30.23177 5.998000       40.52974 33.95000       45.39030 22.50337 9.804717 27.39006 11.02893 -4.886690      14.75703 
1 1 1 -4  30 34 o 26.15983 10.78060 27.14000       44.59270 0.000000       0.000000 27.14000       44.59270 ?        ?        26.15983 10.78060 ?              ?        
1 1 1 -4  30 35 o 30.38294 9.630040 54.09533       32.12590 0.3721000      43.52376 118.4000       47.61750 22.26077 9.909261 43.66473 11.11443 -21.40396      14.89040 
1 1 1 -4  30 36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  30 37 o 34.42538 9.016758 69.65252       30.73901 68.19000       42.54347 71.25000       44.46308 33.08407 11.12122 33.64196 11.36948 -0.5578918     15.90429 
1 1 1 -4  30 38 o 16.98685 7.755056 -10.67146      28.66985 -15.25000      39.29849 -5.462000      41.91883 19.34361 8.922134 20.99304 9.502531 -1.649426      13.03467 
1 1 1 -4  30 39 o 41.16865 8.344592 97.83696       32.47345 106.9000       45.57433 88.49000       46.28267 40.67377 11.12729 36.57974 11.55426 4.094028       16.04112 
1 1 1 -4  30 40 o 19.04369 8.365929 2.166731       30.04701 -34.94000      42.10582 40.67000       42.89084 18.09208 8.618657 27.30457 10.81165 -9.212486      13.82653 
1 1 1 -4  30 41 o 19.49452 8.480545 4.752995       30.22210 -0.7410000     41.88492 10.72000       43.65076 21.35491 9.597368 23.05764 10.10773 -1.702728      13.93828 
1 1 1 -4  30 42 o 15.63578 7.389763 -24.40778      29.77929 -8.896000      41.22739 -41.33000      43.06096 20.23315 9.260747 17.77898 8.535537 2.454168       12.59432 
1 1 1 -4  30 43 o 41.42184 8.570767 100.8637       33.60343 124.6000       46.62166 75.20000       48.47751 43.90920 10.89863 33.32734 11.83860 10.58187       16.09138 
1 1 1 -4  30 44 o 50.72632 10.49458 161.8000       50.38819 0.000000       0.000000 161.8000       50.38819 ?        ?        50.72632 10.49458 ?              ?        
1 1 1 -4  30 45 o 43.64232 8.417914 111.5431       34.65679 110.7000       50.38769 112.3000       47.74335 39.92001 11.95873 40.78112 11.47816 -0.8611145     16.57587 
1 1 1 -4  30 46 o 31.30029 9.555401 61.09762       31.95665 55.91000       44.84440 66.45000       45.55095 29.63878 11.23802 31.55963 11.44314 -1.920843      16.03866 
1 1 1 -4  30 47 o 26.23403 9.456407 40.85976       31.04964 65.52000       43.19724 14.50000       44.66097 31.26336 11.16780 23.23970 10.20467 8.023664       15.12796 
1 1 1 -4  30 48 o 52.58031 6.916357 154.6528       34.73415 168.7000       48.21723 139.5000       50.07864 51.84003 9.862605 45.24759 11.33275 6.592445       15.02339 
1 1 1 -4  30 49 o 17.97822 8.100965 -2.279139      30.06332 -17.22000      41.20322 14.73000       43.96272 18.89261 8.854896 22.76115 10.05438 -3.868540      13.39775 
1 1 1 -4  31 1  o 114.7349 3.932961 650.7203       44.10410 760.9000       83.97224 608.7478       51.82834 122.7853 7.016084 110.7008 4.794478 12.08449       8.497791 
1 1 1 -4  31 2  o 81.30005 3.410735 326.2139       27.08191 301.7000       58.77352 332.8218       30.51440 76.77235 7.935394 82.03626 3.810490 -5.263916      8.802858 
1 1 1 -4  31 3  o 86.36727 3.815256 368.8530       32.17407 0.000000       0.000000 368.8530       32.17407 ?        ?        86.36727 3.815256 ?              ?        
1 1 1 -4  31 4  o 81.02246 3.841215 324.7819       30.37678 0.000000       0.000000 324.7819       30.37678 ?        ?        81.02246 3.841215 ?              ?        
1 1 1 -4  31 5  o 69.99349 3.530350 242.1590       24.10888 300.0000       57.80964 229.9813       26.52567 76.54620 7.825614 68.11092 3.996279 8.435280       8.786950 
1 1 1 -4  31 6  o 45.42932 4.531667 103.2504       19.88263 136.7000       49.63498 96.85715       21.69969 50.40839 10.40463 43.84438 5.154667 6.564003       11.61150 
1 1 1 -4  31 7  o 73.68030 3.468072 268.2861       24.94165 355.9000       59.95860 249.9530       27.42730 83.54826 7.408473 71.00669 3.961896 12.54157       8.401316 
1 1 1 -4  31 8  o 65.98546 4.586344 216.9798       29.43809 279.6000       56.13925 193.2309       34.57259 73.74516 7.900243 61.92282 5.770360 11.82234       9.783195 
1 1 1 -4  31 9  o 81.51579 3.294843 328.0543       26.23535 315.2000       60.31662 331.0536       29.13583 78.27175 7.984437 81.80841 3.647680 -3.536659      8.778200 
1 1 1 -4  31 10 o 123.4856 3.382849 752.5761       40.85035 874.4000       91.69163 722.4076       45.62896 131.2469 7.164479 120.8298 3.862947 10.41708       8.139541 
1 1 1 -4  31 11 o 68.19991 3.370695 229.9631       22.43168 270.1000       54.84951 221.9017       24.58134 72.39336 7.866821 66.90598 3.768719 5.487389       8.722965 
1 1 1 -4  31 12 o 84.05952 4.153957 350.8719       34.07280 398.4000       63.56293 331.7081       40.36166 88.23827 7.428286 81.43175 5.089154 6.806519       9.004383 
1 1 1 -4  31 13 o 40.17630 6.638800 83.45951       25.19649 119.2000       47.26167 69.26744       29.78185 46.67443 10.58882 35.99353 8.575779 10.68091       13.62597 
1 1 1 -4  31 14 o 49.07261 3.821449 119.8561       18.21119 140.8000       48.63759 116.4412       19.63986 50.96814 10.10627 48.28093 4.197493 2.687206       10.94329 
1 1 1 -4  31 15 o 125.2650 3.877839 777.7135       47.49000 771.4000       87.30598 780.3665       56.59512 122.8225 7.294919 125.1465 4.628100 -2.324020      8.639164 
1 1 1 -4  31 16 o 86.56894 3.151270 370.1879       26.65807 299.7000       59.91831 387.5838       29.76637 75.85745 8.199835 88.50394 3.442597 -12.64648      8.893187 
1 1 1 -4  31 17 o 50.35575 3.625692 126.0920       17.75125 137.1000       48.89025 124.4205       19.05138 49.99444 10.33243 49.95079 3.928113 0.4364777E-01  11.05392 
1 1 1 -4  31 18 o 14.69618 5.542912 8.094783       10.87602 37.62000       45.09824 6.271574       11.20679 29.44792 11.24497 14.19191 5.554756 15.25601       12.54211 
1 1 1 -4  31 19 o 25.79980 4.949101 34.33458       12.04373 34.03000       46.79900 34.35619       12.46353 29.04037 11.35569 25.76961 5.121615 3.270754       12.45724 
1 1 1 -4  31 20 o 77.61958 8.026629 315.2000       60.10445 0.000000       0.000000 315.2000       60.10445 ?        ?        77.61958 8.026629 ?              ?        
1 1 1 -4  31 21 o 56.90883 7.071066 168.2956       38.54159 244.3000       55.89436 99.40000       53.21627 67.83678 8.611559 41.48643 12.25612 26.35034       14.97903 
1 1 1 -4  31 22 o 83.89497 8.006166 369.3000       64.94923 0.000000       0.000000 369.3000       64.94923 ?        ?        83.89497 8.006166 ?              ?        
1 1 1 -4  31 23 o 40.91071 11.79808 97.36000       49.83903 97.36000       49.83903 0.000000       0.000000 40.91071 11.79808 ?        ?        ?              ?        
1 1 1 -4  31 24 o 78.53402 5.594883 314.1949       42.72690 338.3000       61.42638 291.6000       59.47097 79.95288 7.954408 73.89252 8.369600 6.060356       11.54655 
1 1 1 -4  31 25 o 38.50237 9.098687 82.75018       33.74338 74.95000       48.16311 90.27000       47.28957 35.92377 11.82629 39.13493 11.55144 -3.211159      16.53169 
1 1 1 -4  31 26 o 88.47748 5.331189 398.9463       45.95614 365.6000       64.60656 433.1000       65.38402 82.59507 8.095131 90.53817 7.443595 -7.943100      10.99719 
1 1 1 -4  31 27 o 53.15412 7.016915 150.1086       35.61727 100.2000       48.94217 206.3000       51.93150 40.60090 11.68614 61.04242 8.957830 -20.44151      14.72442 
1 1 1 -4  31 28 o 55.12354 6.577947 160.2129       34.79269 87.91000       46.35476 253.5000       52.65349 38.04739 11.48651 68.38364 8.018392 -30.33626      14.00837 
1 1 1 -4  31 29 o 51.42751 6.692051 140.3384       32.88870 127.4000       45.49620 154.5000       47.59826 46.65724 10.24337 51.92253 9.722685 -5.265293      14.12293 
1 1 1 -4  31 30 o 19.16415 8.337372 1.599383       29.21426 -47.69000      40.83643 53.27000       41.81123 17.20080 8.271955 30.61080 10.98106 -13.40999      13.74805 
1 1 1 -4  31 31 o 53.71748 9.656061 166.4000       48.90545 166.4000       48.90545 0.000000       0.000000 53.71748 9.656061 ?        ?        ?              ?        
1 1 1 -4  31 32 o 48.05001 7.257893 125.3354       33.07271 91.49000       45.68641 162.6000       47.93857 38.33064 11.36420 53.05702 9.583326 -14.72638      14.86557 
1 1 1 -4  31 33 o 24.54873 10.33352 19.34000       42.25183 0.000000       0.000000 19.34000       42.25183 ?        ?        24.54873 10.33352 ?              ?        
1 1 1 -4  31 34 o 45.64095 7.701171 115.4284       33.18157 146.0000       46.46743 83.62000       47.39806 49.67689 9.903926 36.17821 11.72068 13.49868       15.34478 
1 1 1 -4  31 35 o 26.06244 9.355196 37.19436       30.35180 11.68000       40.57228 69.62000       45.73844 22.96084 9.907384 33.23869 11.52282 -10.27785      15.19644 
1 1 1 -4  31 36 o 24.83713 9.231741 32.34388       29.94173 4.108000       40.37458 66.85000       44.63293 21.84291 9.642637 32.56882 11.37710 -10.72591      14.91372 
1 1 1 -4  31 37 o 27.14717 9.471000 42.61844       30.92456 16.58000       42.04366 73.31000       45.64597 23.65390 10.14428 33.55508 11.51640 -9.901176      15.34711 
1 1 1 -4  31 38 f 29.28055 9.406525 51.51867       30.57062 35.70000       41.39831 70.49000       45.33634 26.39688 10.56590 32.88021 11.46770 -6.483337      15.59315 
1 1 1 -4  31 39 o 17.46369 7.933200 -8.055115      29.53424 -32.56000      40.45171 19.92000       43.22116 17.86298 8.491952 24.13764 10.31702 -6.274662      13.36241 
1 1 1 -4  31 40 o 26.84981 9.476703 41.93054       31.02201 30.21000       42.88935 54.79000       44.92489 25.59393 10.56257 29.81902 11.26127 -4.225086      15.43969 
1 1 1 -4  31 41 o 31.28930 11.24322 63.37000       43.85188 63.37000       43.85188 0.000000       0.000000 31.28930 11.24322 ?        ?        ?              ?        
1 1 1 -4  31 42 o 42.11100 8.346306 103.4712       33.18672 76.81000       45.21783 134.6000       48.85967 33.79616 11.46527 45.43670 11.08576 -11.64054      15.94824 
1 1 1 -4  31 43 o 19.76106 9.162652 -15.01000      42.25412 0.000000       0.000000 -15.01000      42.25412 ?        ?        19.76106 9.162652 ?              ?        
1 1 1 -4  31 44 o 23.33962 9.255928 26.59125       31.48091 44.84000       44.89009 8.931000       44.16033 27.73453 11.03529 22.61645 10.02938 5.118080       14.91195 
1 1 1 -4  31 45 o 34.65632 9.244541 74.07527       31.93712 77.91000       44.54760 70.02000       45.81070 33.82259 11.38022 32.16137 11.49930 1.661213       16.17849 
1 1 1 -4  31 46 o 26.06754 9.447825 40.37009       31.04640 28.88000       43.30603 52.52000       44.53210 24.92102 10.47423 28.74981 11.12339 -3.828781      15.27872 
1 1 1 -4  31 47 o 18.19221 8.144204 -0.9505222     29.84082 -13.51000      40.73204 13.60000       43.84193 19.25735 8.952027 22.77654 10.05176 -3.519196      13.46019 
1 1 1 -4  31 48 o 25.95536 9.466529 41.50548       31.23716 38.08000       42.62310 45.48000       45.91204 25.77505 10.57211 27.07562 11.02298 -1.300568      15.27336 
1 1 1 -4  32 1  o 126.5372 3.956046 792.8223       48.93863 870.9000       93.12410 763.0323       57.52200 130.8367 7.300491 123.8157 4.755103 7.020927       8.712530 
1 1 1 -4  32 2  o 158.3071 4.339430 1243.386       67.17838 0.000000       0.000000 1243.386       67.17838 ?        ?        158.3071 4.339430 ?              ?        
1 1 1 -4  32 3  o 19.83203 7.533958 14.80886       20.17785 0.000000       0.000000 14.80886       20.17785 ?        ?        19.83203 7.533958 ?              ?        
1 1 1 -4  32 4  o 24.31090 7.231751 30.47829       18.47644 40.81000       46.80638 28.57123       20.10949 30.54763 11.50383 23.84191 7.626153 6.705719       13.80204 
1 1 1 -4  32 5  o 78.64839 3.442439 305.8482       26.43681 367.6000       61.76921 292.0000       29.25132 84.68310 7.530388 76.73048 3.907542 7.952614       8.483846 
1 1 1 -4  32 6  o 65.79918 3.629851 214.5338       23.28786 239.8000       55.41398 209.1144       25.66418 67.79391 8.539760 64.85924 4.062901 2.934677       9.456990 
1 1 1 -4  32 7  o 52.94260 4.058342 139.6112       20.87067 73.48000       49.97883 153.5790       22.96924 36.93738 12.04064 55.49424 4.261161 -18.55686      12.77241 
1 1 1 -4  32 8  o 57.81884 3.781271 166.0255       21.28256 164.1000       53.02529 166.3953       23.23632 55.11870 10.20400 57.80186 4.134248 -2.683167      11.00971 
1 1 1 -4  32 9  o 29.80333 5.865581 46.05508       16.50169 89.13000       46.30236 39.78797       17.66138 40.10727 11.30891 27.52460 6.633813 12.58267       13.11102 
1 1 1 -4  32 10 o 21.55088 6.500141 23.74808       14.84940 59.60000       44.16851 19.17934       15.76719 33.70716 11.33163 20.03148 6.770455 13.67568       13.20019 
1 1 1 -4  32 11 o 37.00708 4.933887 69.45285       17.42740 101.2000       46.90010 64.36713       18.77146 42.63187 11.12366 35.42650 5.599163 7.205368       12.45337 
1 1 1 -4  32 12 o 71.18484 3.405658 250.8942       23.66101 232.9000       55.44301 254.9012       26.16315 66.49578 8.728734 71.66699 3.742590 -5.171211      9.497251 
1 1 1 -4  32 13 o 85.76582 4.136964 365.9798       34.62737 415.7000       64.20087 345.5818       41.12147 89.88100 7.361827 82.98881 5.086679 6.892189       8.948230 
1 1 1 -4  32 14 o 60.84052 3.460633 183.5908       20.52390 197.3000       52.97235 181.1693       22.26279 60.80146 9.187062 60.35782 3.787341 0.4436455      9.937106 
1 1 1 -4  32 15 o 41.45638 4.545112 86.59297       18.14143 71.59000       46.24360 89.32193       19.72245 36.08650 11.56685 42.02045 4.886076 -5.933952      12.55650 
1 1 1 -4  32 16 o 45.89492 3.952011 105.2743       17.58096 104.5000       47.51852 105.3971       18.92381 43.05519 11.17823 45.84388 4.266130 -2.788692      11.96464 
1 1 1 -4  32 17 o 115.5157 3.220751 659.9368       36.38148 634.5000       79.71953 666.6282       40.88768 110.8414 7.389995 115.9473 3.607067 -5.105873      8.223318 
1 1 1 -4  32 18 o 50.82952 3.529494 128.5715       17.45134 0.000000       0.000000 128.5715       17.45134 ?        ?        50.82952 3.529494 ?              ?        
1 1 1 -4  32 19 o 59.01086 3.270715 172.7708       18.81823 0.000000       0.000000 172.7708       18.81823 ?        ?        59.01086 3.270715 ?              ?        
1 1 1 -4  32 20 o 45.44536 8.208021 110.8818       35.16853 117.6000       49.43933 104.0000       50.03767 45.29357 11.21199 42.36145 11.68755 2.932121       16.19591 
1 1 1 -4  32 21 o 88.24386 5.417773 395.1270       46.57071 367.1000       63.70384 427.3000       68.25313 83.41044 7.896621 90.09675 7.816667 -6.686310      11.11112 
1 1 1 -4  32 22 o 117.8275 5.186107 702.6952       59.66630 615.8000       80.80078 806.9000       88.48336 108.1776 7.680784 124.2947 7.305028 -16.11702      10.59990 
1 1 1 -4  32 23 o 34.34840 9.603019 66.76820       33.53660 7.807000       47.87012 123.6000       46.99775 24.76967 10.72482 46.27686 10.60330 -21.50719      15.08151 
1 1 1 -4  32 24 o 55.00928 9.931377 171.3000       51.50776 0.000000       0.000000 171.3000       51.50776 ?        ?        55.00928 9.931377 ?              ?        
1 1 1 -4  32 25 o 49.76804 10.25810 143.4000       48.30964 143.4000       48.30964 0.000000       0.000000 49.76804 10.25810 ?        ?        ?              ?        
1 1 1 -4  32 26 o 81.23730 5.268908 337.9947       41.67093 312.9000       57.93163 364.9000       59.98520 76.10624 7.890964 82.59396 7.501499 -6.487717      10.88760 
1 1 1 -4  32 27 o 35.14778 8.945675 70.53313       30.84944 78.83000       43.04348 61.77000       44.23637 36.13081 11.10109 32.50385 11.32829 3.626961       15.86078 
1 1 1 -4  32 28 o 35.95076 8.930708 74.12727       31.28600 87.11000       43.48845 60.20000       45.04265 37.76405 11.05893 32.04907 11.40870 5.714973       15.88894 
1 1 1 -4  32 29 o 43.50944 10.62763 114.0000       44.86602 114.0000       44.86602 0.000000       0.000000 43.50944 10.62763 ?        ?        ?              ?        
1 1 1 -4  32 30 o 20.59466 9.282694 -7.015000      39.50770 -7.015000      39.50770 0.000000       0.000000 20.59466 9.282694 ?        ?        ?              ?        
1 1 1 -4  32 31 o 41.84797 8.055805 98.03783       31.80077 77.63000       43.84039 120.7000       46.19836 35.33410 11.25554 44.50130 10.73145 -9.167194      15.55157 
1 1 1 -4  32 32 o 23.28932 10.03473 12.17000       41.50633 0.000000       0.000000 12.17000       41.50633 ?        ?        23.28932 10.03473 ?              ?        
1 1 1 -4  32 33 o 22.12451 8.905761 19.33372       29.58580 41.01000       41.71626 -2.603000      41.96614 27.74809 10.75774 21.44845 9.625678 6.299643       14.43546 
1 1 1 -4  32 34 o 44.73851 7.646713 111.5149       32.28387 138.7000       44.34891 80.87000       47.08654 48.30844 9.715987 35.33708 11.69596 12.97136       15.20513 
1 1 1 -4  32 35 o 82.49211 5.272717 354.0881       42.35196 361.4000       58.97211 346.3000       60.86201 80.91859 7.531960 78.61868 8.021122 2.299911       11.00313 
1 1 1 -4  32 36 o 44.45332 7.809752 111.9751       32.74245 98.33000       44.81405 127.6000       47.95499 38.77180 11.18943 44.54970 11.05091 -5.777897      15.72660 
1 1 1 -4  32 37 o 22.23083 8.984161 20.86151       30.24061 -15.12000      40.77412 64.85000       45.08316 19.51671 9.032403 31.63668 11.39594 -12.11997      14.54138 
1 1 1 -4  32 38 o 25.17558 9.331857 34.87035       30.55574 5.888000       41.44320 69.39000       45.22928 21.98666 9.734756 32.50102 11.44525 -10.51436      15.02529 
1 1 1 -4  32 39 o 22.02511 8.977498 19.86418       30.49712 7.163000       42.18504 33.77000       44.14024 22.20943 9.828025 26.13626 10.74360 -3.926834      14.56074 
1 1 1 -4  32 40 o 25.91394 10.57573 33.68000       42.38603 33.68000       42.38603 0.000000       0.000000 25.91394 10.57573 ?        ?        ?              ?        
1 1 1 -4  32 41 o 18.42699 8.182290 -0.2899690     29.48874 55.86000       41.36421 -58.32000      42.05101 29.72990 10.88557 16.30431 7.967648 13.42559       13.48996 
1 1 1 -4  32 42 o 32.48225 11.58374 71.18000       46.45544 0.000000       0.000000 71.18000       46.45544 ?        ?        32.48225 11.58374 ?              ?        
1 1 1 -4  32 43 o 30.78545 9.677670 59.59946       32.50617 55.30000       45.86180 63.94000       46.08033 29.43300 11.31444 30.96192 11.46296 -1.528919      16.10640 
1 1 1 -4  32 44 f 18.85825 8.330918 2.058854       30.18791 43.46000       40.90322 -47.47000      44.73840 27.20001 10.62206 17.57383 8.502373 9.626177       13.60582 
1 1 1 -4  32 45 o 26.02164 9.394169 40.48834       30.65645 13.37000       41.69496 72.40000       45.23001 22.52565 9.876489 32.27315 11.43806 -9.747503      15.11206 
1 1 1 -4  32 46 o 32.84380 9.408731 68.89901       31.79695 61.00000       43.13419 78.30000       47.05678 29.91671 11.08780 32.91991 11.66681 -3.003201      16.09515 
1 1 1 -4  32 47 o 22.61947 9.075053 25.97988       30.61388 19.15000       41.42356 34.20000       45.44439 22.88419 9.942094 25.34627 10.69562 -2.462086      14.60279 
1 1 1 -4  33 1  o 104.6875 3.876557 543.5660       39.65487 0.000000       0.000000 543.5660       39.65487 ?        ?        104.6875 3.876557 ?              ?        
1 1 1 -4  33 2  o 45.13784 6.093870 104.3618       26.23690 0.000000       0.000000 104.3618       26.23690 ?        ?        45.13784 6.093870 ?              ?        
1 1 1 -4  33 3  o 79.06696 3.901383 310.4588       30.10070 413.0000       61.55361 278.2305       34.50828 89.82320 7.057627 74.57622 4.752060 15.24698       8.508359 
1 1 1 -4  33 4  o 45.89093 4.635611 105.8789       20.53767 97.46000       49.14189 107.6605       22.60661 41.67056 11.61510 46.15607 5.088130 -4.485512      12.68068 
1 1 1 -4  33 5  o 44.66107 4.684723 100.4010       20.17505 125.8000       50.48568 95.57410       22.00879 47.54536 11.05767 43.39736 5.290362 4.148006       12.25806 
1 1 1 -4  33 6  o 124.1851 3.441288 762.7576       41.79051 943.0000       96.60104 721.2585       46.35245 135.6684 7.301295 120.5633 3.933080 15.10503       8.293252 
1 1 1 -4  33 7  o 49.76632 5.741891 126.0760       27.45803 165.9000       51.67584 110.4090       32.41219 55.32877 9.905553 45.92297 7.466887 9.405796       12.40461 
1 1 1 -4  33 8  o 40.57901 4.692247 83.13271       18.29456 206.2000       50.24240 64.32134       19.64306 62.58363 8.414718 35.29860 5.892797 27.28504       10.27290 
1 1 1 -4  33 9  o 67.07036 3.536132 223.1450       23.13280 213.5000       53.81208 225.3314       25.62097 63.41027 8.915801 67.30052 3.906080 -3.890247      9.733909 
1 1 1 -4  33 10 o 73.09739 3.360041 264.6369       23.97670 361.7000       59.29828 245.6664       26.21527 83.75401 7.306260 70.29919 3.824160 13.45481       8.246553 
1 1 1 -4  33 11 o 52.17746 3.975343 135.8662       20.15033 117.0000       49.52018 139.6099       22.05916 45.59655 11.18217 52.80860 4.304860 -7.212055      11.98219 
1 1 1 -4  33 12 o 63.71039 3.553563 201.5459       22.07274 133.4000       53.15793 215.7431       24.26331 48.58746 11.37858 65.86169 3.779535 -17.27423      11.98987 
1 1 1 -4  33 13 o 34.51532 7.430581 63.42406       24.36035 90.38000       47.60159 53.85962       28.35462 39.89259 11.53801 31.52849 8.835555 8.364105       14.53247 
1 1 1 -4  33 14 o 24.80557 8.813223 29.37941       26.86755 84.93000       46.87655 2.203000       32.78743 38.66971 11.52281 20.78194 8.936137 17.88777       14.58183 
1 1 1 -4  33 15 o 62.45849 4.349697 195.4162       26.42617 162.2000       52.47911 206.7000       30.58718 54.12033 10.28232 64.04379 4.916891 -9.923458      11.39746 
1 1 1 -4  33 16 o 51.45467 4.156338 132.6775       20.75549 103.1000       51.00133 138.5483       22.72218 42.19691 11.85863 52.49509 4.464375 -10.29818      12.67114 
1 1 1 -4  33 17 o 75.83344 3.419137 285.5343       25.31425 0.000000       0.000000 285.5343       25.31425 ?        ?        75.83344 3.419137 ?              ?        
1 1 1 -4  33 18 o 48.80005 7.910095 127.3128       36.49163 121.6000       52.38093 132.7000       50.86631 45.58801 11.68541 48.06232 11.04442 -2.474312      16.07881 
1 1 1 -4  33 19 o 92.92834 3.008584 427.6661       27.33027 426.4000       65.72516 427.9308       30.05162 90.08061 7.522702 92.84177 3.312186 -2.761162      8.219587 
1 1 1 -4  33 20 o 52.30492 6.895731 143.9278       34.44525 113.5000       46.47904 181.0000       51.30335 44.20337 10.82906 57.10325 9.513168 -12.89989      14.41420 
1 1 1 -4  33 21 o 43.90433 7.920142 104.6559       32.78461 50.56000       44.51167 168.8000       48.46965 30.81600 11.29069 55.08236 9.322015 -24.26636      14.64171 
1 1 1 -4  33 22 o 32.89147 9.347627 61.52773       31.50836 47.24000       43.64437 77.08000       45.53482 29.96406 11.14415 35.97120 11.47239 -6.007139      15.99399 
1 1 1 -4  33 23 o 58.83362 6.156108 180.7658       34.92759 142.4000       47.41120 226.3000       51.65083 49.61533 10.10609 64.25346 8.414487 -14.63813      13.15054 
1 1 1 -4  33 24 o 77.57768 5.328428 308.8344       40.21578 232.8000       53.71686 405.8000       60.66171 64.89525 8.673498 87.41067 7.152452 -22.51542      11.24220 
1 1 1 -4  33 25 o 49.96798 7.121586 134.1816       33.84708 79.03000       47.51465 191.0000       48.22729 35.86950 11.74308 58.59458 8.670061 -22.72508      14.59691 
1 1 1 -4  33 26 o 71.68772 8.161544 282.3000       56.25086 0.000000       0.000000 282.3000       56.25086 ?        ?        71.68772 8.161544 ?              ?        
1 1 1 -4  33 27 o 21.74584 9.611459 0.8958000      40.23070 0.8958000      40.23070 0.000000       0.000000 21.74584 9.611459 ?        ?        ?              ?        
1 1 1 -4  33 28 o 59.73769 8.831858 201.3000       50.08781 201.3000       50.08781 0.000000       0.000000 59.73769 8.831858 ?        ?        ?              ?        
1 1 1 -4  33 29 f 26.44465 9.381647 38.09548       30.43500 1.943000       40.96630 82.63000       45.46802 21.93008 9.695630 36.24604 11.45255 -14.31596      15.00554 
1 1 1 -4  33 30 o 31.13401 11.46015 57.99000       45.94303 0.000000       0.000000 57.99000       45.94303 ?        ?        31.13401 11.46015 ?              ?        
1 1 1 -4  33 31 o 48.72515 10.71669 145.8000       49.71911 0.000000       0.000000 145.8000       49.71911 ?        ?        48.72515 10.71669 ?              ?        
1 1 1 -4  33 32 o 23.56568 9.096321 26.57748       29.72933 12.31000       40.15237 43.89000       44.23006 22.90203 9.868799 28.33702 11.05148 -5.434998      14.81649 
1 1 1 -4  33 33 o 29.00403 9.398302 49.91160       30.47481 76.40000       41.99648 20.45000       44.29076 34.55588 11.01727 24.59337 10.47580 9.962511       15.20272 
1 1 1 -4  33 34 o 40.36419 8.459434 94.84878       32.35193 119.6000       45.28142 69.04000       46.23867 43.40876 10.72119 32.53319 11.56145 10.87557       15.76740 
1 1 1 -4  33 35 o 33.41404 9.407376 68.23933       32.06562 27.15000       43.50714 117.1000       47.44338 25.19750 10.53831 42.27027 11.26377 -17.07277      15.42493 
1 1 1 -4  33 36 o 31.32439 9.513206 60.41579       31.73009 50.55000       43.09187 72.10000       46.89524 28.88163 11.00087 32.84317 11.64607 -3.961535      16.02030 
1 1 1 -4  33 37 o 31.05263 9.552116 59.33678       31.85790 36.01000       43.47844 86.38000       46.81400 26.46643 10.74466 35.70874 11.65404 -9.242304      15.85133 
1 1 1 -4  33 38 o 44.16979 7.925760 112.0576       33.00765 126.2000       45.64095 96.55000       47.79313 44.33718 10.65044 37.47169 11.72827 6.865494       15.84248 
1 1 1 -4  33 39 o 27.23995 10.72666 42.50000       42.00858 42.50000       42.00858 0.000000       0.000000 27.23995 10.72666 ?        ?        ?              ?        
1 1 1 -4  33 40 o 24.45210 9.372585 32.02969       31.40834 22.89000       44.20238 41.35000       44.63700 24.42170 10.43582 27.18896 10.94086 -2.767260      15.11981 
1 1 1 -4  33 41 o 25.60459 10.70309 31.09000       44.84395 0.000000       0.000000 31.09000       44.84395 ?        ?        25.60459 10.70309 ?              ?        
1 1 1 -4  33 42 o 37.12738 9.132859 84.67384       32.95751 72.46000       45.54468 98.10000       47.75151 32.49745 11.48150 37.40641 11.72539 -4.908962      16.41066 
1 1 1 -4  33 43 o 22.98096 9.050470 26.41334       29.90823 27.75000       40.55739 24.82000       44.28070 24.47767 10.20131 24.48613 10.45371 -0.8455276E-02 14.60639 
1 1 1 -4  33 44 o 16.96906 7.793711 -9.823669      29.54327 -10.76000      39.56728 -8.644000      44.41214 19.29809 8.919419 20.47988 9.459996 -1.181791      13.00183 
1 1 1 -4  33 45 o 23.39016 9.225608 29.26601       31.11891 69.14000       41.64290 -21.16000      46.82992 31.47675 10.98983 19.67050 9.287672 11.80624       14.38879 
1 1 1 -4  33 46 o 15.59641 7.363939 -20.56114      29.43760 -31.05000      39.64277 -7.668000      43.95204 17.28189 8.268306 20.22446 9.366183 -2.942570      12.49361 
1 1 1 -4  34 1  o 117.5877 4.898629 692.4831       56.25882 0.000000       0.000000 692.4831       56.25882 ?        ?        117.5877 4.898629 ?              ?        
1 1 1 -4  34 2  o 58.06084 4.041131 168.1924       22.82303 168.5000       50.74032 168.1144       25.55401 55.76881 9.643970 57.90212 4.545182 -2.133312      10.66137 
1 1 1 -4  34 3  o 70.11316 4.081982 245.0170       27.89295 224.3000       54.21709 252.4741       32.52786 65.02293 8.739604 70.96572 4.709389 -5.942795      9.927690 
1 1 1 -4  34 4  o 68.82613 4.077216 236.1392       27.34469 232.2000       53.80264 237.5112       31.75130 66.30721 8.483752 68.80676 4.743402 -2.499550      9.719769 
1 1 1 -4  34 5  o 103.5689 3.322134 530.8491       33.63493 563.8000       72.92647 521.9459       37.90759 104.6701 7.161116 102.5273 3.783783 2.142792       8.099296 
1 1 1 -4  34 6  o 30.65761 6.209076 49.22119       17.99294 98.16000       44.81533 39.81652       19.64588 41.76510 10.86180 27.36726 7.227818 14.39784       13.04684 
1 1 1 -4  34 7  o 68.70940 3.503017 234.3367       23.48167 205.4000       52.34673 241.6263       26.27341 62.01583 8.876266 69.66647 3.868073 -7.650631      9.682463 
1 1 1 -4  34 8  o 55.55264 3.815593 153.8607       20.62184 177.0000       48.97472 148.8739       22.73562 57.38857 9.015366 54.50700 4.296067 2.881577       9.986642 
1 1 1 -4  34 9  f 71.39277 3.421742 252.9018       23.84194 313.1000       55.28652 239.1490       26.42540 77.63384 7.363517 69.27399 3.913043 8.359856       8.338662 
1 1 1 -4  34 10 o 46.82767 4.005251 109.8026       18.18245 164.9000       47.71252 100.4416       19.66647 55.21867 9.147535 44.61897 4.567367 10.59971       10.22439 
1 1 1 -4  34 11 o 41.21551 4.520489 85.82437       17.93806 208.1000       49.26740 67.13758       19.26003 62.64502 8.233788 36.06606 5.640370 26.57896       9.980433 
1 1 1 -4  34 12 o 52.17616 3.803714 135.9293       19.29268 161.2000       49.88277 131.4843       20.92073 54.14847 9.770923 51.19688 4.211935 2.951595       10.64008 
1 1 1 -4  34 13 f 26.91472 6.237182 38.31722       16.10997 110.8000       44.87874 27.59577       17.26037 44.24464 10.51795 23.01324 7.021939 21.23141       12.64653 
1 1 1 -4  34 14 o 46.99106 5.578905 113.2577       25.16061 135.8000       47.14427 104.2798       29.75201 49.21622 10.12426 44.46255 7.072880 4.753670       12.35016 
1 1 1 -4  34 15 o 38.61618 4.140870 75.26163       15.40775 55.67000       44.62246 77.91365       16.41749 32.11849 11.36309 39.23851 4.347376 -7.120022      12.16633 
1 1 1 -4  34 16 o 79.26919 7.695966 332.4000       58.96308 0.000000       0.000000 332.4000       58.96308 ?        ?        79.26919 7.695966 ?              ?        
1 1 1 -4  34 17 o 90.63538 3.065672 407.3967       27.15840 381.8000       60.97168 413.7322       30.33379 85.10268 7.392727 91.19913 3.404024 -6.096443      8.138783 
1 1 1 -4  34 18 f 25.63413 5.333913 34.53414       12.94733 66.76000       41.68424 31.09317       13.62104 33.97985 10.99016 24.19199 5.822762 9.787853       12.43737 
1 1 1 -4  34 19 o 66.57420 5.765759 228.7240       37.20235 198.7000       49.75291 266.8000       56.02853 60.10433 8.710368 70.07226 8.331716 -9.967926      12.05355 
1 1 1 -4  34 20 o 36.44044 8.795124 75.12397       31.01024 69.69000       41.68198 81.86000       46.40791 34.30315 10.98015 36.73038 11.56567 -2.427227      15.94768 
1 1 1 -4  34 21 o 57.27436 6.128261 171.6100       33.82271 133.0000       45.85078 217.7000       50.09567 47.79108 10.11721 62.97095 8.331677 -15.17986      13.10629 
1 1 1 -4  34 22 o 18.79503 8.106820 2.816838       27.14520 15.87000       37.21746 -12.02000      39.67889 23.35239 9.755300 20.19515 9.182350 3.157238       13.39707 
1 1 1 -4  34 23 o 59.98088 5.879635 187.7262       34.07689 159.9000       46.05232 221.4000       50.66063 53.04908 9.202321 63.27688 8.385585 -10.22781      12.44993 
1 1 1 -4  34 24 o 34.21902 8.937311 67.52175       30.25599 52.63000       40.76337 85.79000       45.14875 30.31175 10.84626 37.18995 11.35856 -6.878197      15.70536 
1 1 1 -4  34 25 o 60.31678 6.039261 191.0699       35.17659 158.8000       46.94177 232.4000       53.12438 52.44789 9.493164 64.42599 8.641909 -11.97810      12.83755 
1 1 1 -4  34 26 o 35.83382 8.961557 74.44642       31.34869 79.11000       42.53301 68.90000       46.38444 35.76156 11.04354 33.44756 11.60344 2.313999       16.01873 
1 1 1 -4  34 27 o 44.40253 11.03479 122.1000       47.75019 122.1000       47.75019 0.000000       0.000000 44.40253 11.03479 ?        ?        ?              ?        
1 1 1 -4  34 28 o 21.22228 9.629478 -7.545000      43.36054 0.000000       0.000000 -7.545000      43.36054 ?        ?        21.22228 9.629478 ?              ?        
1 1 1 -4  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  34 30 o 62.64816 6.056330 208.1526       36.67593 205.9000       50.82477 210.6000       52.97739 59.72801 8.970338 60.07679 9.310031 -0.3487854     12.92840 
1 1 1 -4  34 31 o 31.22309 9.405349 58.64606       31.10390 71.09000       41.81370 43.23000       46.54003 33.40301 11.02026 28.22143 11.23389 5.181581       15.73679 
1 1 1 -4  34 32 o 62.55399 6.094132 208.9740       36.84158 226.3000       50.64482 189.5000       53.69237 62.83735 8.447816 55.62719 10.23811 7.210159       13.27345 
1 1 1 -4  34 33 o 41.80655 8.328598 101.4768       32.88427 120.0000       46.03109 82.17000       46.99464 43.16335 10.89566 34.90833 11.68802 8.255024       15.97890 
1 1 1 -4  34 34 o 52.67385 6.926730 153.0808       34.84862 154.8000       48.21359 151.2000       50.42772 49.86689 10.22125 48.53815 10.88331 1.328739       14.93052 
1 1 1 -4  34 35 o 22.08894 8.979728 20.28218       30.41628 28.86000       42.26810 11.07000       43.80318 25.18859 10.44889 22.96673 10.09480 2.221861       14.52874 
1 1 1 -4  34 36 o 30.15493 9.506495 56.17884       31.34508 86.21000       43.62536 24.13000       45.06705 35.85106 11.20288 24.75000 10.55564 11.10106       15.39240 
1 1 1 -4  34 37 o 15.94318 7.488175 -20.71454      29.73160 -25.04000      39.68406 -15.18000      44.88905 18.20139 8.580508 20.25830 9.410651 -2.056911      12.73521 
1 1 1 -4  34 38 o 42.54593 8.479531 106.7322       34.07299 179.4000       47.70734 31.07000       48.68037 54.61206 9.254772 25.99403 11.02409 28.61803       14.39379 
1 1 1 -4  34 39 o 19.44225 9.073452 -17.95000      42.49928 0.000000       0.000000 -17.95000      42.49928 ?        ?        19.44225 9.073452 ?              ?        
1 1 1 -4  34 40 o 28.32867 9.664371 49.81907       32.13424 31.61000       45.46227 68.00000       45.42712 25.59517 10.74308 31.62379 11.43296 -6.028616      15.68841 
1 1 1 -4  34 41 o 23.02987 9.139743 26.17318       30.71670 15.68000       41.86393 38.41000       45.20857 22.93580 9.979331 26.52441 10.88470 -3.588606      14.76698 
1 1 1 -4  34 42 o 25.83721 9.354241 39.87599       30.42371 28.44000       41.12555 53.70000       45.21598 24.50171 10.24646 28.79775 11.19013 -4.296036      15.17264 
1 1 1 -4  34 43 o 24.36543 9.236388 33.93127       30.28809 82.73000       41.04656 -24.40000      44.87694 34.61192 10.87414 19.08573 9.035555 15.52619       14.13818 
1 1 1 -4  34 44 o 17.05490 7.829756 -8.435013      29.77310 3.745000       39.96820 -23.62000      44.62703 20.72136 9.338501 18.95680 8.985065 1.764559       12.95913 
1 1 1 -4  34 45 o 19.97112 8.552827 12.58736       29.80918 28.10000       40.46977 -5.811000      44.07349 23.84135 10.07856 20.30924 9.396221 3.532112       13.77920 
1 1 1 -4  35 1  o 42.84230 6.223538 95.12845       25.33571 69.88000       47.44506 105.2003       29.96593 35.38044 11.74147 44.75112 7.075955 -9.370682      13.70880 
1 1 1 -4  35 2  o 41.58376 6.497786 90.15310       25.58330 118.9000       48.20467 78.88113       30.18516 45.73550 10.91926 38.15160 8.318133 7.583904       13.72668 
1 1 1 -4  35 3  o 95.54812 3.390305 452.7312       31.65762 427.4000       67.68344 459.8248       35.81701 90.40213 7.722764 96.12833 3.814123 -5.726204      8.613281 
1 1 1 -4  35 4  o 51.35233 4.723216 133.1155       23.47553 165.2000       51.35500 124.6401       26.39468 54.70103 9.958128 49.38971 5.556025 5.311317       11.40323 
1 1 1 -4  35 5  o 54.49376 4.574747 149.5275       24.17665 152.4000       51.13578 148.7005       27.43687 52.22686 10.36872 54.10582 5.246422 -1.878963      11.62047 
1 1 1 -4  35 6  o 35.26242 5.561135 64.23451       18.55939 145.9000       47.59818 49.59225       20.15464 51.36133 9.825658 30.50317 6.910933 20.85817       12.01268 
1 1 1 -4  35 7  o 89.53385 3.334348 397.6373       29.17058 429.8000       64.83517 389.4742       32.66329 90.81278 7.356800 88.43997 3.781891 2.372810       8.271954 
1 1 1 -4  35 8  o 78.50792 3.431924 306.2047       26.30915 322.1000       59.89837 302.4052       29.28527 78.08213 7.947794 77.86751 3.854238 0.2146225      8.833039 
1 1 1 -4  35 9  o 34.87611 5.281413 62.68466       17.46585 124.9000       48.16564 53.26513       18.74145 46.72693 10.75410 31.78871 6.246032 14.93822       12.43639 
1 1 1 -4  35 10 o 35.09072 5.081728 63.27441       16.94713 28.68000       44.93051 69.01246       18.29871 27.33550 10.98480 36.61759 5.255785 -9.282087      12.17740 
1 1 1 -4  35 11 o 15.51457 6.493875 3.437591       16.54075 19.61000       42.61446 0.5688628      17.94793 25.47268 10.52217 15.43474 6.623812 10.03794       12.43346 
1 1 1 -4  35 12 o 69.29546 3.776006 239.9279       25.51523 200.9000       52.39432 252.0609       29.21333 60.48819 9.133573 70.84709 4.231911 -10.35891      10.06634 
1 1 1 -4  35 13 o 33.92959 5.059213 59.36632       16.28945 31.41000       43.85703 63.84019       17.54450 27.41893 10.90828 35.13873 5.262670 -7.719797      12.11141 
1 1 1 -4  35 14 o 30.91418 11.07102 52.00000       42.47963 0.000000       0.000000 52.00000       42.47963 ?        ?        30.91418 11.07102 ?              ?        
1 1 1 -4  35 15 o 9.384254 4.525482 -18.45781      12.42428 0.000000       0.000000 -18.45781      12.42428 ?        ?        9.384254 4.525482 ?              ?        
1 1 1 -4  35 16 o 28.58754 5.824377 43.35149       15.74399 8.606000       42.56340 48.85899       16.94590 23.52808 10.14983 30.35940 5.915208 -6.831318      11.74772 
1 1 1 -4  35 17 o 23.81762 5.540992 30.16907       12.67380 44.57000       41.14491 28.65946       13.32153 29.03327 10.81600 23.14800 5.871463 5.885275       12.30691 
1 1 1 -4  35 18 o 64.77895 3.190707 209.2068       20.16920 147.5000       48.09577 222.3740       22.21712 50.35029 10.11038 66.70335 3.414138 -16.35306      10.67128 
1 1 1 -4  35 19 o 37.34025 8.377075 78.42805       29.86267 104.3000       41.26159 49.97000       43.27469 42.05299 10.14240 30.08266 11.11374 11.97033       15.04605 
1 1 1 -4  35 20 o 38.44091 8.201087 82.82097       29.91702 53.50000       40.69594 117.3000       44.13056 30.56206 10.84785 44.42574 10.34256 -13.86368      14.98815 
1 1 1 -4  35 21 o 41.51057 7.914930 95.74679       30.98626 57.46000       41.23716 145.4000       46.96107 31.28084 10.93515 49.78942 9.983761 -18.50859      14.80720 
1 1 1 -4  35 22 o 41.80045 8.029882 97.52754       31.66086 87.64000       41.31247 111.6000       49.28582 37.89475 10.68118 42.12658 11.59028 -4.231827      15.76141 
1 1 1 -4  35 23 o 41.57440 7.938040 96.52446       31.12536 106.9000       41.03639 82.47000       47.76070 42.29736 10.05932 36.06009 11.77146 6.237267       15.48409 
1 1 1 -4  35 24 o 44.67115 7.560850 110.0284       31.88188 126.3000       43.19723 90.56000       47.25048 46.22161 9.849341 37.71923 11.63845 8.502377       15.24674 
1 1 1 -4  35 25 o 43.46125 10.58558 115.6000       44.60833 115.6000       44.60833 0.000000       0.000000 43.46125 10.58558 ?        ?        ?              ?        
1 1 1 -4  35 26 o 43.41412 8.233987 106.9149       33.71034 127.7000       45.89350 82.56000       49.67838 45.67202 10.48749 35.56792 12.01780 10.10410       15.95039 
1 1 1 -4  35 27 o 25.07155 9.329628 33.01116       30.59683 58.64000       42.26331 4.785000       44.35320 30.99975 11.04941 22.72653 10.06611 8.273218       14.94711 
1 1 1 -4  35 28 o 22.94794 10.13085 6.967000       44.57056 0.000000       0.000000 6.967000       44.57056 ?        ?        22.94794 10.13085 ?              ?        
1 1 1 -4  35 29 o 21.53643 8.857679 16.67089       30.02521 19.07000       41.36774 14.00000       43.64808 23.91016 10.15226 23.58537 10.22640 0.3247890      14.40998 
1 1 1 -4  35 30 o 18.37918 8.746437 -34.48000      43.13737 0.000000       0.000000 -34.48000      43.13737 ?        ?        18.37918 8.746437 ?              ?        
1 1 1 -4  35 31 o 34.00191 10.74461 74.98000       40.01957 74.98000       40.01957 0.000000       0.000000 34.00191 10.74461 ?        ?        ?              ?        
1 1 1 -4  35 32 o 39.43559 8.595610 92.00215       32.24077 76.03000       43.19204 112.1000       48.45034 33.78851 11.20251 40.68715 11.60078 -6.898643      16.12682 
1 1 1 -4  35 33 o 40.69797 8.749022 98.49606       33.81554 135.7000       47.36214 59.81000       48.29633 45.97963 10.72162 30.45415 11.63498 15.52547       15.82169 
1 1 1 -4  35 34 o 55.63712 6.639111 169.4475       35.44341 179.2000       48.84317 158.6000       51.51237 54.42327 9.515060 49.61930 10.90425 4.803970       14.47201 
1 1 1 -4  35 35 o 51.74703 6.888314 148.2854       34.02449 121.6000       45.97466 180.6000       50.59182 43.08039 10.89683 54.07057 9.924639 -10.99018      14.73905 
1 1 1 -4  35 36 o 22.44761 9.752085 13.60000       39.85248 13.60000       39.85248 0.000000       0.000000 22.44761 9.752085 ?        ?        ?              ?        
1 1 1 -4  35 37 o 39.32640 8.722846 92.77982       32.69801 104.4000       45.08890 79.89000       47.48829 39.34346 11.18238 33.85914 11.74100 5.484322       16.21409 
1 1 1 -4  35 38 f 34.59268 11.75845 83.97000       47.56233 0.000000       0.000000 83.97000       47.56233 ?        ?        34.59268 11.75845 ?              ?        
1 1 1 -4  35 39 o 38.18186 8.852564 88.70561       32.43999 121.2000       44.86971 53.12000       46.95547 42.87347 10.72097 28.85591 11.34747 14.01757       15.61103 
1 1 1 -4  35 40 o 25.89634 9.397365 39.82619       30.72820 22.74000       41.63375 60.27000       45.54114 23.80329 10.14855 30.04469 11.34007 -6.241407      15.21809 
1 1 1 -4  35 41 o 17.65579 7.966950 -3.505215      29.19565 -28.38000      38.85268 28.76000       44.24952 17.45812 8.306011 24.75093 10.50421 -7.292807      13.39135 
1 1 1 -4  35 42 o 23.03597 9.101773 28.04531       30.33687 21.31000       39.72445 37.47000       46.99078 23.00996 9.864174 25.97300 10.91321 -2.963039      14.71054 
1 1 1 -4  35 43 o 19.29504 8.385986 8.718522       29.49475 31.68000       39.87885 -19.01000      43.82339 24.34212 10.12786 19.08077 9.001737 5.261347       13.55009 
1 1 1 -4  36 1  o 44.21934 4.926407 99.69743       20.96135 137.2000       49.65258 91.56426       23.12284 48.86054 10.68063 42.04527 5.770535 6.815269       12.13981 
1 1 1 -4  36 2  o 41.21865 6.497241 89.30888       25.34665 138.6000       49.27236 71.57125       29.55743 49.19182 10.54954 35.99007 8.522734 13.20176       13.56207 
1 1 1 -4  36 3  o 75.23642 4.388548 284.6772       32.17849 214.6000       56.84474 317.7218       39.03487 62.17531 9.653336 79.15016 5.065003 -16.97485      10.90143 
1 1 1 -4  36 4  o 42.35609 4.880884 91.54906       19.86622 105.4000       47.86346 88.66626       21.83595 42.26687 11.33630 41.44381 5.519907 0.8230667      12.60877 
1 1 1 -4  36 5  o 40.79851 5.617529 86.16167       21.83859 68.23000       46.69069 91.18314       24.70787 34.45572 11.65078 41.73656 6.239207 -7.280842      13.21622 
1 1 1 -4  36 6  o 100.3038 3.772329 502.2888       36.97079 514.6000       70.79812 497.6729       43.35107 98.84808 7.370287 99.45028 4.464743 -0.6022034     8.617138 
1 1 1 -4  36 7  o 70.19527 3.500250 245.6958       23.97402 302.8000       56.71501 233.2723       26.45366 75.33353 7.804274 68.20863 3.979519 7.124908       8.760323 
1 1 1 -4  36 8  o 25.74006 6.575937 35.61249       16.62644 69.60000       45.57775 30.39538       17.85699 34.55174 11.50930 23.85901 7.112457 10.69273       13.52963 
1 1 1 -4  36 9  o 21.78071 6.785459 24.84926       16.01729 36.93000       44.79755 23.07847       17.15106 28.31595 11.09908 21.28495 7.059336 7.031002       13.15385 
1 1 1 -4  36 10 o 42.15555 5.007164 91.21374       20.25792 59.13000       47.11051 98.49207       22.43837 32.39996 11.65209 43.68283 5.359970 -11.28286      12.82577 
1 1 1 -4  36 11 f 14.69560 6.182982 2.760611       15.11523 5.441000       42.91356 2.380976       16.15022 23.19180 10.09702 15.02763 6.360426 8.164169       11.93335 
1 1 1 -4  36 12 o 14.54731 6.970632 -34.48920      28.41214 -78.63000      40.85773 6.843000       39.53651 15.25751 7.534063 22.59257 9.764403 -7.335060      12.33311 
1 1 1 -4  36 13 o 46.50013 4.409205 109.9720       19.82899 0.000000       0.000000 109.9720       19.82899 ?        ?        46.50013 4.409205 ?              ?        
1 1 1 -4  36 14 o 45.12470 3.908741 102.8265       17.09455 129.5000       47.44414 98.84710       18.32541 46.66191 10.62623 44.09454 4.300415 2.567368       11.46344 
1 1 1 -4  36 15 o 49.85799 4.957578 127.6335       23.87395 103.0000       45.19389 137.1684       28.11727 41.18810 11.00168 51.33319 5.691401 -10.14509      12.38665 
1 1 1 -4  36 16 f 50.77499 4.192270 130.7041       20.65007 100.9000       45.01446 138.6479       23.23969 40.64069 11.03429 52.12323 4.602279 -11.48254      11.95561 
1 1 1 -4  36 17 o 74.12080 3.928281 276.7658       28.39849 317.4000       54.29690 261.4646       33.31908 76.80598 7.310321 71.54652 4.785224 5.259453       8.737229 
1 1 1 -4  36 18 o 21.00854 5.896835 23.63854       12.61911 8.422000       38.09116 25.51446       13.37436 22.23559 9.597086 21.77818 6.055396 0.4574013      11.34777 
1 1 1 -4  36 19 o 42.25870 7.557436 98.42498       30.11295 65.18000       39.98265 142.0000       45.77490 32.83963 10.77339 49.18992 9.850818 -16.35029      14.59810 
1 1 1 -4  36 20 o 29.14649 9.144736 49.03732       29.03846 20.48000       38.21000 88.08000       44.67743 23.99806 9.943010 37.45391 11.27005 -13.45585      15.02922 
1 1 1 -4  36 21 o 30.49964 9.246447 54.34723       29.99367 59.32000       39.27640 47.39000       46.45694 31.44144 10.68527 29.38824 11.36371 2.053202       15.59837 
1 1 1 -4  36 22 o 50.04244 6.980307 135.8057       33.26242 76.40000       42.51918 229.5000       53.39831 34.95050 11.07893 63.55595 8.820978 -28.60546      14.16165 
1 1 1 -4  36 23 o 19.64594 8.400477 6.842358       28.67521 2.952000       38.02795 11.97000       43.65832 21.27554 9.376588 23.56390 10.22229 -2.288364      13.87139 
1 1 1 -4  36 24 o 28.23259 10.72315 44.52000       40.87158 44.52000       40.87158 0.000000       0.000000 28.23259 10.72315 ?        ?        ?              ?        
1 1 1 -4  36 25 o 45.90486 7.522477 117.2964       32.63099 120.1000       44.38890 114.0000       48.13247 44.06810 10.45014 41.98351 11.41472 2.084599       15.47583 
1 1 1 -4  36 26 o 23.47847 10.16359 13.74000       42.97268 0.000000       0.000000 13.74000       42.97268 ?        ?        23.47847 10.16359 ?              ?        
1 1 1 -4  36 27 o 21.72619 8.948397 17.26823       30.70033 -12.49000      42.91171 48.47000       43.94019 20.34044 9.360711 28.79570 11.07347 -8.455259      14.49981 
1 1 1 -4  36 28 o 25.34736 9.323438 35.66064       30.39921 46.38000       41.78677 23.61000       44.30568 28.16709 10.80717 24.77673 10.51284 3.390368       15.07696 
1 1 1 -4  36 29 o 29.01522 9.414669 51.22458       30.57505 46.75000       41.75013 56.40000       44.90088 28.10472 10.79752 29.92196 11.26744 -1.817244      15.60583 
1 1 1 -4  36 30 o 39.26461 8.719953 91.87298       32.64118 94.71000       44.82363 88.67000       47.62701 37.51932 11.28820 35.84354 11.75823 1.675785       16.29968 
1 1 1 -4  36 31 o 40.14709 8.641486 95.73637       32.95212 63.56000       44.57760 134.5000       48.92834 31.09286 11.31348 45.22035 11.13031 -14.12749      15.87069 
1 1 1 -4  36 32 o 44.21318 11.53033 131.4000       50.40919 0.000000       0.000000 131.4000       50.40919 ?        ?        44.21318 11.53033 ?              ?        
1 1 1 -4  36 33 o 26.50580 10.54156 39.33000       40.94486 39.33000       40.94486 0.000000       0.000000 26.50580 10.54156 ?        ?        ?              ?        
1 1 1 -4  36 34 o 22.91770 9.094272 25.49873       30.40878 43.70000       41.17275 3.655000       45.10476 27.24044 10.65142 22.08905 9.940652 5.151388       14.56947 
1 1 1 -4  36 35 o 24.52237 10.35724 25.96000       42.67661 25.96000       42.67661 0.000000       0.000000 24.52237 10.35724 ?        ?        ?              ?        
1 1 1 -4  36 36 o 17.78982 8.051890 -5.275227      30.08941 -9.600000      41.47760 -0.4710000     43.71633 19.96273 9.192719 21.35537 9.681540 -1.392635      13.35059 
1 1 1 -4  36 37 o 37.96210 11.88715 103.2000       49.09108 0.000000       0.000000 103.2000       49.09108 ?        ?        37.96210 11.88715 ?              ?        
1 1 1 -4  36 38 o 43.81086 8.137742 112.7875       33.61296 158.6000       46.15069 61.03000       49.05386 50.44747 9.698362 30.06425 11.66283 20.38322       15.16838 
1 1 1 -4  36 39 o 17.36942 7.883655 -5.491915      29.09023 16.28000       38.90492 -33.10000      43.81011 22.36193 9.675427 18.21380 8.708170 4.148132       13.01715 
1 1 1 -4  36 40 o 34.42315 9.290283 75.45682       32.02393 81.16000       43.03493 68.38000       47.93815 33.82388 11.18092 30.88637 11.63975 2.937508       16.13991 
1 1 1 -4  36 41 o 23.41982 9.134509 30.56777       30.21869 23.12000       40.18549 40.26000       45.84245 23.17781 9.928386 26.10571 10.85996 -2.927891      14.71433 
1 1 1 -4  36 42 o 20.10867 8.543998 14.03269       29.33377 -33.36000      39.48605 72.40000       43.82005 16.97411 8.155471 31.43989 11.24607 -14.46578      13.89194 
1 1 1 -4  37 1  f 111.3497 3.433336 618.2994       37.37597 748.7000       84.21785 586.3164       41.70842 118.7988 7.277380 108.1055 3.948208 10.69328       8.279408 
1 1 1 -4  37 2  o 43.46577 4.930298 96.98341       20.60610 101.3000       50.82951 96.13447       22.54149 40.43737 11.98630 43.04568 5.473525 -2.608307      13.17690 
1 1 1 -4  37 3  o 43.42109 6.423429 99.81157       26.47804 72.64000       50.44781 110.1428       31.10715 34.75677 12.09850 45.19372 7.279154 -10.43695      14.11948 
1 1 1 -4  37 4  o 34.79524 7.744198 66.86974       25.69647 -2.120000      47.01967 96.24952       30.68397 23.05240 10.27818 41.91393 7.764941 -18.86152      12.88159 
1 1 1 -4  37 5  f 54.46112 4.073170 149.7314       21.55600 170.6000       50.36720 145.0518       23.85068 54.54787 9.793180 53.37144 4.610637 1.176422       10.82425 
1 1 1 -4  37 6  o 58.25243 4.289218 171.8262       24.28523 153.4000       50.37628 177.4050       27.71878 51.10953 10.42340 58.92550 4.848648 -7.815964      11.49594 
1 1 1 -4  37 7  o 17.00063 6.647326 10.40712       16.03537 -8.196000      43.51873 13.32967       17.24902 21.53915 9.722350 18.17676 6.951106 3.362389       11.95165 
1 1 1 -4  37 8  o 33.18127 5.683263 58.06327       17.79494 88.28000       44.66131 52.36090       19.40151 37.98383 11.22952 31.12160 6.575243 6.862223       13.01292 
1 1 1 -4  37 9  o 22.62698 7.243192 27.20133       18.13787 17.17000       42.72553 29.40658       20.03258 24.53465 10.36284 23.47696 7.620839 1.057690       12.86335 
1 1 1 -4  37 10 o 20.23980 8.482282 9.508129       28.27462 21.68000       41.47983 -1.056000      38.64338 24.97874 10.35546 21.20728 9.394399 3.771458       13.98178 
1 1 1 -4  37 11 o 30.80901 5.781609 50.43135       16.79520 63.82000       46.10794 48.38312       18.03419 32.70417 11.55248 29.94227 6.350385 2.761892       13.18283 
1 1 1 -4  37 12 o 30.89327 6.073571 51.11372       17.71101 0.000000       0.000000 51.11372       17.71101 ?        ?        30.89327 6.073571 ?              ?        
1 1 1 -4  37 13 o 40.50038 4.367671 83.83031       17.04124 72.97000       44.28624 85.71789       18.46286 34.44128 11.34043 40.82251 4.706604 -6.381229      12.27833 
1 1 1 -4  37 14 o 44.34986 3.959564 99.70695       17.00821 108.0000       44.58795 98.29478       18.39943 41.99794 10.78955 43.88146 4.340478 -1.883522      11.62988 
1 1 1 -4  37 15 f 13.67205 6.325028 -13.26508      19.96558 45.06000       40.98082 -31.41759      22.86238 28.68981 10.77271 12.70445 6.129675 15.98536       12.39453 
1 1 1 -4  37 16 o 12.11410 5.305868 -1.654034      12.00506 20.69000       40.02608 -3.862766      12.58444 24.33646 10.13771 11.90865 5.312958 12.42782       11.44556 
1 1 1 -4  37 17 o 58.79548 3.967724 174.9444       22.70078 76.55000       46.69493 205.3962       25.97715 34.78909 11.65073 63.60593 4.195853 -28.81684      12.38324 
1 1 1 -4  37 18 o 20.87935 5.969690 23.43389       12.81255 56.68000       39.73849 19.57680       13.53539 30.81289 10.73706 19.37895 6.262150 11.43393       12.42976 
1 1 1 -4  37 19 o 37.16164 8.742204 80.09374       31.26435 50.02000       41.51420 119.5000       47.52100 29.44504 10.88405 43.66537 11.09701 -14.22034      15.54368 
1 1 1 -4  37 20 o 22.38320 8.856437 21.48315       28.76093 11.12000       37.51934 36.25000       44.78712 22.27242 9.567888 27.19203 10.95322 -4.919603      14.54364 
1 1 1 -4  37 21 o 36.47678 8.717196 77.72517       30.69909 45.44000       40.33071 122.2000       47.33598 28.32404 10.67583 44.00114 11.01662 -15.67710      15.34077 
1 1 1 -4  37 22 o 31.21493 10.83231 60.22000       40.42564 60.22000       40.42564 0.000000       0.000000 31.21493 10.83231 ?        ?        ?              ?        
1 1 1 -4  37 23 o 46.38348 9.908541 130.5000       43.61959 130.5000       43.61959 0.000000       0.000000 46.38348 9.908541 ?        ?        ?              ?        
1 1 1 -4  37 24 o 53.55925 6.523579 155.0960       33.49537 117.0000       45.13419 201.8000       49.97385 43.00515 10.75174 58.90785 8.947939 -15.90270      13.98805 
1 1 1 -4  37 25 o 36.71595 11.57119 90.30000       46.44265 0.000000       0.000000 90.30000       46.44265 ?        ?        36.71595 11.57119 ?              ?        
1 1 1 -4  37 26 o 19.17514 8.350784 4.667651       29.37223 -26.52000      39.56729 42.95000       43.83735 18.09851 8.542929 27.55896 10.92459 -9.460445      13.86825 
1 1 1 -4  37 27 o 19.47607 8.435609 6.374632       29.63534 5.225000       41.01871 7.630000       42.86353 21.70207 9.642613 22.32659 9.891958 -0.6245155     13.81415 
1 1 1 -4  37 28 o 29.16060 9.447791 52.37765       30.79720 81.78000       43.06794 21.61000       44.05653 34.85873 11.16154 24.21061 10.38368 10.64811       15.24469 
1 1 1 -4  37 29 o 22.32578 9.011880 22.17311       30.38755 4.426000       41.90757 41.85000       44.12726 21.68596 9.683839 27.19599 10.90081 -5.510029      14.58096 
1 1 1 -4  37 30 o 27.13264 9.399811 44.18899       30.43476 13.72000       40.91785 81.92000       45.53371 22.68723 9.868612 34.59005 11.50324 -11.90282      15.15632 
1 1 1 -4  37 31 o 25.32249 9.268645 36.98240       29.98457 17.56000       39.97735 61.96000       45.33544 22.96132 9.870255 30.53978 11.35805 -7.578465      15.04750 
1 1 1 -4  37 32 o 38.19320 8.892848 88.56860       32.62231 75.50000       43.71076 105.0000       49.01298 33.23226 11.27260 38.58244 11.84433 -5.350182      16.35114 
1 1 1 -4  37 33 o 20.38648 9.304510 -4.900000      41.23360 -4.900000      41.23360 0.000000       0.000000 20.38648 9.304510 ?        ?        ?              ?        
1 1 1 -4  37 34 o 24.28317 10.58706 20.54000       47.32121 0.000000       0.000000 20.54000       47.32121 ?        ?        24.28317 10.58706 ?              ?        
1 1 1 -4  37 35 o 27.82788 11.05227 47.64000       44.94922 47.64000       44.94922 0.000000       0.000000 27.82788 11.05227 ?        ?        ?              ?        
1 1 1 -4  37 36 o 30.10817 9.713350 58.09398       32.57426 96.12000       44.93514 15.98000       47.28886 37.08804 11.33248 23.57303 10.41973 13.51501       15.39467 
1 1 1 -4  37 37 o 28.53979 9.586702 51.57979       31.61344 65.06000       41.60778 33.17000       48.62399 30.91143 10.96902 25.80006 10.98260 5.111368       15.52214 
1 1 1 -4  37 38 o 24.01043 9.182084 32.63943       30.09828 15.62000       39.73871 55.54000       46.09612 22.27390 9.706592 28.76595 11.26372 -6.492052      14.86907 
1 1 1 -4  37 39 o 40.15633 8.445001 98.28650       32.13968 132.5000       43.70091 57.98000       47.43286 44.81115 10.19383 28.88636 11.39104 15.92479       15.28626 
1 1 1 -4  37 40 o 28.25235 9.457970 52.45031       30.77262 81.36000       41.64218 17.67000       45.67499 33.46672 10.99554 22.93810 10.18444 10.52863       14.98748 
1 1 1 -4  38 1  o 68.89708 3.674021 238.3951       24.68741 135.2000       51.68390 268.9002       28.10036 46.78919 11.39302 73.04321 3.944941 -26.25401      12.05668 
1 1 1 -4  38 2  o 40.84490 5.025358 86.32901       19.66839 115.5000       45.54589 79.64212       21.80648 43.66155 10.73396 38.80820 5.928360 4.853352       12.26227 
1 1 1 -4  38 3  o 40.23592 5.097448 83.94480       19.62593 110.1000       46.20034 78.18569       21.67924 42.34988 11.03556 38.42870 5.956049 3.921185       12.54026 
1 1 1 -4  38 4  o 34.48814 7.310791 65.57883       23.91255 53.48000       43.99154 70.65290       28.48893 30.55923 11.21994 35.27201 8.376899 -4.712782      14.00212 
1 1 1 -4  38 5  o 23.39391 8.149564 28.52667       22.89248 62.67000       42.36897 14.44922       27.20552 32.31654 11.09518 20.83518 8.484169 11.48136       13.96725 
1 1 1 -4  38 6  o 33.35850 5.740240 59.00177       18.06726 57.31000       44.12628 59.34251       19.80332 31.23696 11.27143 33.20058 6.324650 -1.963617      12.92464 
1 1 1 -4  38 7  f 30.86921 7.774742 53.54442       23.47544 93.89000       45.42223 38.84000       27.42171 38.75954 11.28859 26.48752 8.928710 12.27202       14.39285 
1 1 1 -4  38 8  o 49.15901 10.47459 145.2000       48.85863 145.2000       48.85863 0.000000       0.000000 49.15901 10.47459 ?        ?        ?              ?        
1 1 1 -4  38 9  o 78.12472 3.344880 305.4017       25.51931 303.6000       57.74646 305.8389       28.44789 74.13046 8.089459 77.96898 3.738430 -3.838524      8.911521 
1 1 1 -4  38 10 o 65.16980 3.852548 214.2681       24.46576 0.000000       0.000000 214.2681       24.46576 ?        ?        65.16980 3.852548 ?              ?        
1 1 1 -4  38 11 o 30.34494 6.426686 50.07130       18.49393 0.000000       0.000000 50.07130       18.49393 ?        ?        30.34494 6.426686 ?              ?        
1 1 1 -4  38 12 o 43.84439 4.255079 98.14969       18.03179 168.0000       45.71174 85.27773       19.62302 54.19567 8.927603 40.49524 5.060751 13.70044       10.26223 
1 1 1 -4  38 13 o 44.97585 3.998084 102.7644       17.41777 167.9000       46.11191 91.92426       18.81138 54.07751 9.029613 42.25883 4.623104 11.81868       10.14431 
1 1 1 -4  38 14 o 31.55054 5.035506 52.18326       15.02847 26.21000       41.37624 56.13053       16.13007 25.28237 10.39817 32.66894 5.219833 -7.386570      11.63480 
1 1 1 -4  38 15 o 21.05935 7.756133 21.44805       21.04897 9.332000       39.74936 26.16956       24.81361 22.49259 9.755754 22.85040 8.420272 -0.3578110     12.88704 
1 1 1 -4  38 16 o 64.80824 4.235638 213.7897       26.72199 261.4000       51.18673 195.9531       31.33018 68.77487 7.737738 61.39714 5.264001 7.377731       9.358541 
1 1 1 -4  38 17 o 21.16647 6.822573 24.00576       16.07295 -18.23000      39.41174 32.43174       17.60336 19.08331 8.848646 24.17226 7.023916 -5.088949      11.29752 
1 1 1 -4  38 18 o 28.39353 5.288986 42.89466       14.15863 48.12000       40.88218 42.18250       15.09266 28.80178 10.77110 27.98374 5.703749 0.8180370      12.18809 
1 1 1 -4  38 19 o 33.21314 9.208420 66.14845       30.97712 111.8000       42.78852 15.87000       44.90456 42.42577 10.38823 24.05527 10.40140 18.37050       14.70049 
1 1 1 -4  38 20 o 20.87468 8.674894 14.12454       29.20783 42.10000       39.90402 -18.16000      42.86721 27.45573 10.55407 19.79489 9.195687 7.660837       13.99818 
1 1 1 -4  38 21 o 35.36189 10.99012 80.86000       42.04554 80.86000       42.04554 0.000000       0.000000 35.36189 10.99012 ?        ?        ?              ?        
1 1 1 -4  38 22 o 30.96107 9.151380 57.97720       29.66332 64.70000       40.11945 49.87000       44.05703 31.81211 10.79950 28.89525 11.09423 2.916851       15.48261 
1 1 1 -4  38 23 o 38.45053 11.55245 99.96000       46.97058 0.000000       0.000000 99.96000       46.97058 ?        ?        38.45053 11.55245 ?              ?        
1 1 1 -4  38 24 o 26.47529 10.89063 36.18000       45.39820 0.000000       0.000000 36.18000       45.39820 ?        ?        26.47529 10.89063 ?              ?        
1 1 1 -4  38 25 o 28.35418 9.418494 49.12842       30.52701 100.6000       42.13430 -7.744000      44.28971 39.23874 10.68455 20.82459 9.556419 18.41415       14.33474 
1 1 1 -4  38 26 o 22.45969 9.042027 23.02949       30.50299 41.28000       42.75971 4.119000       43.52599 26.93476 10.75266 21.88303 9.813219 5.051725       14.55744 
1 1 1 -4  38 27 o 22.95649 9.133990 25.29166       30.75360 41.51000       43.18400 8.602000       43.80700 27.03515 10.80148 22.47790 9.977398 4.557243       14.70443 
1 1 1 -4  38 28 o 26.59987 9.348757 42.30143       30.16642 78.59000       41.26063 0.6281000      44.21606 34.24677 10.92050 21.60880 9.772472 12.63798       14.65464 
1 1 1 -4  38 29 o 16.34478 7.554836 -12.87953      28.39224 -50.30000      37.68111 36.27000       43.18459 15.60793 7.608718 26.04975 10.65820 -10.44182      13.09541 
1 1 1 -4  38 30 f 19.84237 8.469449 10.42469       29.05535 -5.114000      38.75874 30.36000       43.90096 19.82861 9.038774 25.19185 10.56431 -5.363234      13.90338 
1 1 1 -4  38 31 o 32.51513 9.375622 66.45409       31.47566 42.77000       42.06648 96.58000       47.44364 26.97140 10.69846 36.95700 11.70144 -9.985601      15.85499 
1 1 1 -4  38 32 o 16.42296 7.947273 -43.60000      39.14017 -43.60000      39.14017 0.000000       0.000000 16.42296 7.947273 ?        ?        ?              ?        
1 1 1 -4  38 33 o 20.15698 8.653520 10.72420       30.65353 8.378000       41.67400 13.49000       45.24741 21.86140 9.716025 23.02649 10.18458 -1.165085      14.07575 
1 1 1 -4  38 34 o 26.26192 10.90173 38.06000       46.05620 0.000000       0.000000 38.06000       46.05620 ?        ?        26.26192 10.90173 ?              ?        
1 1 1 -4  38 35 o 18.07830 8.082636 -0.6629111     29.28857 -28.20000      39.04947 34.75000       44.28299 17.52813 8.335817 25.62744 10.66835 -8.099318      13.53882 
1 1 1 -4  38 36 o 18.31849 8.726819 -28.68000      43.17705 0.000000       0.000000 -28.68000      43.17705 ?        ?        18.31849 8.726819 ?              ?        
1 1 1 -4  38 37 o 22.04997 9.654878 15.12000       39.72506 15.12000       39.72506 0.000000       0.000000 22.04997 9.654878 ?        ?        ?              ?        
1 1 1 -4  38 38 o 18.80408 8.323737 4.716212       30.28288 -41.22000      38.77486 76.55000       48.48830 16.19791 7.855371 31.65162 11.75115 -15.45372      14.13493 
1 1 1 -4  38 39 o 25.00642 9.279338 38.94013       30.22798 75.07000       41.21082 -3.136000      44.47295 32.07590 10.94444 20.49419 9.466558 11.58170       14.47054 
1 1 1 -4  39 1  o 68.10789 3.734564 233.7814       24.80152 274.6000       54.07819 222.9089       27.90981 70.40481 7.988205 66.17130 4.332881 4.233513       9.087645 
1 1 1 -4  39 2  o 36.06466 5.648452 68.87428       19.28561 47.07000       44.09465 74.03183       21.44555 29.07167 11.11476 37.19294 6.102182 -8.121269      12.67969 
1 1 1 -4  39 3  o 27.57335 6.827194 42.02897       18.32791 27.62000       41.79362 45.45977       20.39347 25.56538 10.47546 28.51573 7.281738 -2.950352      12.75771 
1 1 1 -4  39 4  o 23.50034 7.225712 30.29173       18.23220 -10.66000      40.91418 40.43880       20.36612 20.33754 9.276893 26.84858 7.475086 -6.511042      11.91376 
1 1 1 -4  39 5  o 36.63579 7.251255 74.30123       25.08237 76.22000       44.13416 73.38583       30.48390 34.72784 11.31433 35.49020 8.815010 -0.7623558     14.34289 
1 1 1 -4  39 6  o 21.25782 9.586272 -4.944000      42.19313 -4.944000      42.19313 0.000000       0.000000 21.25782 9.586272 ?        ?        ?              ?        
1 1 1 -4  39 7  o 42.49201 4.666244 93.09873       19.08906 43.39000       44.04580 104.5947       21.18168 28.37147 11.03880 44.95527 4.892471 -16.58380      12.07441 
1 1 1 -4  39 8  o 29.09561 6.869152 46.85887       19.24731 73.43000       42.26032 39.90466       21.61979 34.20375 11.06612 26.59514 7.799978 7.608603       13.53878 
1 1 1 -4  39 9  o 18.09472 6.828971 14.23764       16.51418 0.000000       0.000000 14.23764       16.51418 ?        ?        18.09472 6.828971 ?              ?        
1 1 1 -4  39 10 o 51.22003 4.064119 133.4279       20.20878 51.37000       46.13982 152.9060       22.47968 29.78138 11.37365 54.76917 4.225879 -24.98779      12.13334 
1 1 1 -4  39 11 o 23.47239 6.814677 30.34973       16.57663 58.11000       41.98957 25.22449       18.04209 30.88840 11.01315 21.75440 7.241154 9.133999       13.18044 
1 1 1 -4  39 12 f 18.32599 6.628155 16.00432       15.27005 52.21000       41.59424 10.36453       16.41634 29.64508 10.90562 16.93019 6.693514 12.71489       12.79592 
1 1 1 -4  39 13 o 42.65269 4.208477 93.18068       17.34155 151.0000       45.29272 83.24869       18.77199 50.44232 9.522308 39.98181 4.898932 10.46051       10.70859 
1 1 1 -4  39 14 o 54.88243 3.571815 152.0311       19.08371 151.3000       47.06537 152.1749       20.87688 50.06401 9.954976 54.73890 3.922397 -4.674881      10.69985 
1 1 1 -4  39 15 o 20.12594 6.367282 21.67347       14.05026 -18.96000      39.86134 27.43800       15.01385 19.03808 8.852044 22.35078 6.484455 -3.312698      10.97301 
1 1 1 -4  39 16 o 12.35612 5.537194 -4.337759      13.83237 -10.90000      39.08307 -3.398058      14.78963 19.63691 8.998648 12.99085 5.779989 6.646064       10.69504 
1 1 1 -4  39 17 o 21.56384 7.107683 25.13223       17.39505 79.13000       40.60019 12.99134       19.25154 35.09381 10.78123 18.31998 7.246769 16.77383       12.99040 
1 1 1 -4  39 18 o 31.27825 4.993854 51.63522       14.77531 26.77000       42.27510 55.09523       15.76983 25.01554 10.41946 32.24925 5.170406 -7.233713      11.63178 
1 1 1 -4  39 19 o 21.63071 8.923308 17.52733       30.59319 16.56000       40.94414 18.75000       46.03203 23.24816 9.991160 24.30069 10.51934 -1.052530      14.50792 
1 1 1 -4  39 20 o 52.12127 9.736549 165.9000       47.84751 165.9000       47.84751 0.000000       0.000000 52.12127 9.736549 ?        ?        ?              ?        
1 1 1 -4  39 21 f 44.41291 7.752664 112.9753       32.47737 90.30000       44.62970 138.5000       47.35088 36.46031 11.32141 46.38786 10.65331 -9.927547      15.54565 
1 1 1 -4  39 22 o 41.28299 11.52851 116.1000       48.36340 0.000000       0.000000 116.1000       48.36340 ?        ?        41.28299 11.52851 ?              ?        
1 1 1 -4  39 23 o 49.92352 7.055207 139.3681       33.51657 169.0000       45.83057 105.3000       49.14164 52.91820 9.180682 38.67389 11.85754 14.24430       14.99620 
1 1 1 -4  39 24 o 29.80833 9.250844 55.04538       29.80244 67.25000       40.39050 40.46000       44.15462 31.81763 10.83539 26.83671 10.85225 4.980921       15.33549 
1 1 1 -4  39 25 o 38.04478 8.428468 86.04383       30.56006 59.93000       41.28348 117.7000       45.45380 30.28284 10.90553 42.16321 10.92565 -11.88037      15.43698 
1 1 1 -4  39 26 o 15.62025 7.294356 -16.73735      27.53709 -14.55000      37.00999 -19.45000      41.21517 18.42581 8.554443 18.91404 8.862129 -0.4882355     12.31730 
1 1 1 -4  39 27 o 27.97991 9.380697 48.41574       30.27061 54.48000       41.05278 41.19000       44.81203 29.06717 10.80867 26.87230 10.90865 2.194874       15.35663 
1 1 1 -4  39 28 f 47.34653 7.253510 127.0643       32.54649 130.5000       44.46696 123.1000       47.76519 44.94622 10.32491 42.43189 11.29966 2.514328       15.30641 
1 1 1 -4  39 29 o 25.14923 9.257953 36.81530       29.98355 20.36000       41.09314 55.55000       43.84700 23.36113 10.02402 29.16489 11.09968 -5.803761      14.95606 
1 1 1 -4  39 30 o 13.93698 6.769395 -38.94139      29.09038 -25.98000      39.43777 -54.41000      43.08360 17.86460 8.461247 16.62058 8.109743 1.244013       11.72010 
1 1 1 -4  39 31 o 23.48346 10.05631 21.86000       41.20510 21.86000       41.20510 0.000000       0.000000 23.48346 10.05631 ?        ?        ?              ?        
1 1 1 -4  39 32 o 33.03888 9.309103 69.30836       31.38631 54.03000       42.68613 87.29000       46.30873 28.65968 10.94106 34.80254 11.60143 -6.142860      15.94678 
1 1 1 -4  39 33 o 20.10682 9.290045 -8.621000      42.87059 0.000000       0.000000 -8.621000      42.87059 ?        ?        20.10682 9.290045 ?              ?        
1 1 1 -4  39 34 o 26.45264 9.331625 43.69229       30.07641 13.79000       40.00879 82.55000       45.60808 22.00417 9.660467 33.63176 11.51258 -11.62759      15.02878 
1 1 1 -4  39 35 o 19.68816 8.448492 11.31408       29.19390 -1.349000      39.41173 26.71000       43.45689 19.97998 9.110400 24.01278 10.30604 -4.032793      13.75551 
1 1 1 -4  39 36 o 23.32529 9.061254 31.03819       29.64210 71.16000       40.38951 -15.80000      43.63936 31.46662 10.83181 19.24033 9.047839 12.22629       14.11352 
1 1 1 -4  39 37 o 13.92595 6.734056 -32.30672      27.97463 -26.74000      36.93176 -39.80000      42.84855 16.81075 8.025864 17.14113 8.299705 -0.3303814     11.54554 
1 1 1 -4  40 1  o 34.60938 5.975676 64.41581       19.51202 81.63000       44.54033 60.32768       21.70563 35.51188 11.34865 32.97650 6.944330 2.535381       13.30472 
1 1 1 -4  40 2  o 50.80312 4.380007 132.2932       21.56821 133.1000       46.16918 132.0680       24.39360 46.49476 10.40500 50.41533 5.009385 -3.920567      11.54807 
1 1 1 -4  40 3  o 55.81577 5.103452 162.0266       27.57401 197.8000       48.48859 144.9288       33.52196 58.68009 8.705487 51.62476 6.798952 7.055328       11.04587 
1 1 1 -4  40 4  o 24.56674 7.224083 33.75248       18.52435 16.84000       41.54650 37.94894       20.69535 23.65743 10.11355 25.88488 7.642024 -2.227451      12.67614 
1 1 1 -4  40 5  o 30.65332 6.976628 52.46104       20.46089 85.06000       42.73292 42.76447       23.30612 36.34872 11.04029 27.26108 8.125237 9.087635       13.70794 
1 1 1 -4  40 6  o 32.18711 7.661600 59.03588       23.78859 58.83000       42.49645 59.12984       28.70791 30.80156 11.06808 31.55152 8.907577 -0.7499619     14.20730 
1 1 1 -4  40 7  o 47.00642 4.738646 114.3916       21.50579 0.000000       0.000000 114.3916       21.50579 ?        ?        47.00642 4.738646 ?              ?        
1 1 1 -4  40 8  o 39.27246 6.210232 83.28408       23.07985 0.000000       0.000000 83.28408       23.07985 ?        ?        39.27246 6.210232 ?              ?        
1 1 1 -4  40 9  o 38.24268 5.505377 77.57478       20.01527 12.73000       43.47013 95.02059       22.54753 23.34756 10.16360 42.34600 5.575064 -18.99844      11.59224 
1 1 1 -4  40 10 o 23.08056 6.840344 29.54668       16.55503 85.92000       42.47894 19.45109       17.97639 36.40289 10.99708 19.83319 7.189026 16.56969       13.13841 
1 1 1 -4  40 11 o 20.75866 6.739108 23.19201       15.66499 15.90000       41.13176 24.42912       16.94177 23.29561 10.01282 21.28007 7.014481 2.015541       12.22537 
1 1 1 -4  40 12 o 44.51225 4.225754 101.7176       18.19099 93.83000       45.08363 103.2514       19.88126 37.68167 11.31725 44.65250 4.615184 -6.970825      12.22211 
1 1 1 -4  40 13 o 37.00046 4.682513 71.30463       16.57953 85.25000       42.37551 68.78405       18.01568 36.15562 10.99656 36.05629 5.259435 0.9932709E-01  12.18958 
1 1 1 -4  40 14 o 15.57797 6.174322 8.550888       14.00080 65.25000       39.83891 0.5614035      14.95474 31.88376 10.76206 13.87913 6.001916 18.00463       12.32254 
1 1 1 -4  40 15 o 37.48978 4.501444 73.00985       16.18852 20.45000       42.18940 82.08454       17.53042 23.92757 10.20922 39.73250 4.591953 -15.80494      11.19439 
1 1 1 -4  40 16 o 26.96904 7.547514 41.99485       20.70515 86.80000       41.63225 27.27081       23.86598 36.26385 10.87177 22.63907 8.271829 13.62478       13.66084 
1 1 1 -4  40 17 o 47.52944 4.672311 117.6234       21.45638 109.1000       44.26762 120.2407       24.53049 40.63907 10.90323 47.62434 5.354928 -6.985275      12.14725 
1 1 1 -4  40 18 o 20.12410 6.527790 21.95947       14.69968 -1.132000      39.77454 25.61237       15.81970 20.58277 9.292309 21.50107 6.750211 -0.9183006     11.48531 
1 1 1 -4  40 19 o 15.26228 7.199593 -21.62010      28.02068 1.712000       37.76733 -50.19000      41.79206 20.47948 9.165632 16.67804 8.103760 3.801435       12.23437 
1 1 1 -4  40 20 o 14.97285 7.130086 -26.54821      28.76275 7.859000       40.09689 -63.02000      41.28236 21.63793 9.578091 15.71247 7.722626 5.925462       12.30361 
1 1 1 -4  40 21 o 20.54610 9.396280 -5.334000      42.32813 0.000000       0.000000 -5.334000      42.32813 ?        ?        20.54610 9.396280 ?              ?        
1 1 1 -4  40 22 o 31.78935 9.266278 62.98360       30.59418 69.31000       40.94862 54.99000       46.02904 32.15955 10.91060 29.24512 11.31048 2.914427       15.71522 
1 1 1 -4  40 23 o 23.62598 8.906313 30.53219       28.07134 43.91000       37.50421 13.49000       42.33020 26.96178 10.26449 22.66435 9.943955 4.297432       14.29132 
1 1 1 -4  40 24 o 26.33554 9.068744 41.91171       28.31218 40.79000       37.60246 43.38000       43.02137 26.32277 10.21123 27.04013 10.78858 -0.7173576     14.85472 
1 1 1 -4  40 25 o 15.66518 7.289214 -14.89430      27.10788 -16.37000      35.71936 -12.89000      41.62809 17.87120 8.332963 19.55234 9.075740 -1.681137      12.32101 
1 1 1 -4  40 26 o 25.58237 9.173755 39.00411       29.17792 58.29000       39.23486 15.14000       43.64404 29.71117 10.63985 22.97253 10.08757 6.738634       14.66170 
1 1 1 -4  40 27 o 26.21509 9.334273 41.68628       30.15352 55.13000       40.55698 25.07000       45.08921 29.01363 10.75176 24.40964 10.48743 4.603992       15.01954 
1 1 1 -4  40 28 o 22.60996 9.076283 24.84192       30.64006 33.52000       41.59826 14.55000       45.30139 25.25662 10.41076 23.09891 10.20482 2.157709       14.57815 
1 1 1 -4  40 29 o 16.72519 8.068133 -39.45000      39.56505 -39.45000      39.56505 0.000000       0.000000 16.72519 8.068133 ?        ?        ?              ?        
1 1 1 -4  40 30 o 16.93042 7.759670 -8.507572      29.07778 3.942000       39.39374 -23.41000      43.10012 20.76523 9.321978 18.76874 8.876372 1.996483       12.87203 
1 1 1 -4  40 31 o 21.98860 9.856915 8.100000       43.87009 0.000000       0.000000 8.100000       43.87009 ?        ?        21.98860 9.856915 ?              ?        
1 1 1 -4  40 32 o 19.41000 8.368000 9.741257       28.89511 -18.07000      38.76571 44.51000       43.34429 18.19842 8.548382 26.71914 10.77090 -8.520716      13.75090 
1 1 1 -4  40 33 o 19.37067 8.370298 9.784771       29.04174 -8.468000      39.00962 32.48000       43.49853 19.10262 8.838669 24.74546 10.45424 -5.642843      13.68989 
1 1 1 -4  40 34 o 38.65209 8.582241 93.01244       31.62371 120.3000       43.09056 61.16000       46.55551 41.77432 10.54017 29.01689 11.33204 12.75743       15.47612 
1 1 1 -4  40 35 o 20.76900 8.634694 19.16382       28.95553 18.49000       38.60899 20.03000       43.77429 21.97819 9.572824 22.78730 10.05078 -0.8091106     13.88010 
1 1 1 -4  41 1  o 48.39470 7.095163 129.7323       32.61199 118.2000       45.51430 141.9000       46.75122 42.88811 10.83881 47.73959 10.30704 -4.851479      14.95710 
1 1 1 -4  41 2  o 22.23916 7.378303 27.06348       18.73557 19.68000       42.19250 28.87693       20.91018 23.92503 10.20891 22.93294 7.796441 0.9920921      12.84548 
1 1 1 -4  41 3  o 27.41692 7.718024 43.31338       21.58449 28.37000       40.53234 49.22850       25.50110 24.99374 10.28680 28.88218 8.471380 -3.888433      13.32601 
1 1 1 -4  41 4  o 16.89509 7.117532 5.978399       20.07079 20.48000       39.46882 0.9203733      23.30970 23.63179 9.969664 16.93355 7.405623 6.698248       12.41924 
1 1 1 -4  41 5  o 39.62663 5.099723 82.57752       19.32254 66.19000       43.01021 86.72136       21.62801 31.95488 11.16798 40.32754 5.632530 -8.372665      12.50796 
1 1 1 -4  41 6  o 29.25875 6.869163 48.08561       19.33405 0.000000       0.000000 48.08561       19.33405 ?        ?        29.25875 6.869163 ?              ?        
1 1 1 -4  41 7  o 19.21222 7.722835 14.03358       22.21536 -6.484000      38.38890 24.36415       27.23986 19.84988 9.027901 22.44082 8.694972 -2.590939      12.53417 
1 1 1 -4  41 8  o 16.12003 6.473501 8.738499       15.59288 12.58000       38.32238 7.976328       17.06978 22.20062 9.604175 16.38446 6.701965 5.816162       11.71138 
1 1 1 -4  41 9  o 22.35792 7.160467 27.76107       17.72435 8.072000       39.44226 32.74310       19.84047 21.76471 9.572351 24.02055 7.562059 -2.255835      12.19896 
1 1 1 -4  41 10 o 13.74069 6.052944 -1.629696      15.82937 16.53000       39.45620 -5.113220      17.28106 22.88016 9.820071 13.67714 6.154223 9.203022       11.58914 
1 1 1 -4  41 11 o 67.76569 3.494667 232.2329       23.10215 281.1000       53.60790 221.0877       25.60142 70.16235 7.945505 65.79230 3.994235 4.370049       8.892973 
1 1 1 -4  41 12 o 12.04948 5.547682 -8.863478      15.09610 51.06000       39.94618 -18.84742      16.30526 28.58254 10.65547 11.15477 5.327548 17.42778       11.91310 
1 1 1 -4  41 13 o 24.45771 6.413572 33.57393       15.54012 21.19000       40.78139 35.67761       16.80829 23.58139 10.04872 25.10027 6.711543 -1.518875      12.08394 
1 1 1 -4  41 14 o 15.42884 6.241642 7.597608       14.61273 3.387000       39.04963 8.283240       15.75761 20.92871 9.346604 15.98183 6.475673 4.946880       11.37072 
1 1 1 -4  41 15 o 42.06884 4.251714 91.55939       17.26773 122.5000       43.33775 85.72029       18.82674 43.63030 10.31200 40.36424 4.862960 3.266060       11.40113 
1 1 1 -4  41 16 o 19.66253 7.599834 17.92661       20.77229 81.08000       40.23320 -5.026084      24.25510 34.73248 10.74341 16.10575 7.265111 18.62674       12.96930 
1 1 1 -4  41 17 o 32.54457 6.905878 60.10582       21.31719 36.14000       41.98492 68.43000       24.74388 25.85279 10.53506 34.33072 7.567540 -8.477930      12.97132 
1 1 1 -4  41 18 o 30.30384 5.223668 49.29919       14.93520 15.49000       39.98877 54.77975       16.10028 22.58355 9.790195 31.91722 5.342130 -9.333673      11.15286 
1 1 1 -4  41 19 o 29.12212 11.16340 54.90000       44.55943 0.000000       0.000000 54.90000       44.55943 ?        ?        29.12212 11.16340 ?              ?        
1 1 1 -4  41 20 o 19.94790 8.466066 11.83018       28.74528 7.726000       39.26541 16.57000       42.19659 21.36287 9.466187 22.96614 10.00535 -1.603264      13.77374 
1 1 1 -4  41 21 o 26.11024 9.172240 41.21585       29.03558 68.76000       39.54529 8.998000       42.76893 31.90486 10.72216 22.08810 9.828253 9.816759       14.54508 
1 1 1 -4  41 22 o 24.49183 9.060391 34.50853       28.77815 39.59000       38.90695 28.37000       42.76265 26.08606 10.30733 24.60727 10.37906 1.478796       14.62757 
1 1 1 -4  41 23 o 24.84368 9.073409 36.15733       28.71093 20.99000       38.42431 55.33000       43.20091 22.97571 9.771042 28.95803 11.01839 -5.982319      14.72679 
1 1 1 -4  41 24 o 33.54972 9.177007 70.78218       31.00128 128.9000       42.47374 4.519000       45.35258 44.93020 9.923063 21.94062 9.912312 22.98958       14.02573 
1 1 1 -4  41 25 o 20.88098 8.706984 16.63157       29.56867 26.28000       39.35762 4.129000       44.80228 23.86168 10.00436 21.79013 9.847429 2.071547       14.03777 
1 1 1 -4  41 26 o 22.85601 9.046340 26.84610       30.01621 5.467000       40.34518 53.35000       44.92126 21.15117 9.469244 28.50462 11.13154 -7.353447      14.61430 
1 1 1 -4  41 27 o 22.68732 9.095445 25.93875       30.72753 58.35000       41.31088 -14.20000      45.97254 29.33414 10.85477 20.09118 9.396157 9.242970       14.35667 
1 1 1 -4  41 28 o 17.69232 8.329773 -20.30000      37.18270 -20.30000      37.18270 0.000000       0.000000 17.69232 8.329773 ?        ?        ?              ?        
1 1 1 -4  41 29 o 24.87430 9.177882 37.02446       29.49578 36.38000       39.91184 37.80000       43.78309 25.29161 10.28462 25.76191 10.65582 -0.4702950     14.80945 
1 1 1 -4  41 30 o 20.35592 9.383069 -4.469000      43.36492 0.000000       0.000000 -4.469000      43.36492 ?        ?        20.35592 9.383069 ?              ?        
1 1 1 -4  41 31 o 27.77461 9.386936 50.28893       30.30862 68.47000       40.99480 28.37000       45.01203 30.86783 10.89406 24.20826 10.44044 6.659569       15.08918 
1 1 1 -4  41 32 o 21.62613 8.855507 22.92775       29.84217 -10.70000      40.02108 65.04000       44.78619 18.91316 8.819365 29.63717 11.23227 -10.72401      14.28093 
1 1 1 -4  41 33 o 21.25962 8.742232 21.87501       29.24068 29.00000       39.52409 13.26000       43.46080 23.50145 9.948681 21.88247 9.809968 1.618977       13.97182 
1 1 1 -4  42 1  o 26.66005 7.067908 40.74580       18.74070 11.53000       36.31865 51.34787       21.87842 21.47804 9.320426 29.71789 7.517177 -8.239847      11.97407 
1 1 1 -4  42 2  o 41.19131 5.761518 91.54161       22.59545 64.63000       39.88318 104.2623       27.42054 31.25164 10.76347 43.34999 6.676174 -12.09835      12.66584 
1 1 1 -4  42 3  o 16.42514 6.977068 5.129230       19.55222 24.66000       36.57539 -2.685146      23.13537 23.51690 9.734395 16.13737 7.201375 7.379530       12.10860 
1 1 1 -4  42 4  o 32.78106 5.971629 58.86152       18.45544 78.53000       40.38580 53.67003       20.74862 34.22035 10.79105 30.64929 7.061442 3.571064       12.89615 
1 1 1 -4  42 5  o 19.30480 7.323129 17.68734       19.04771 0.000000       0.000000 17.68734       19.04771 ?        ?        19.30480 7.323129 ?              ?        
1 1 1 -4  42 6  o 17.20130 6.806768 11.59773       16.99051 5.056000       38.44194 13.18586       18.94094 20.97823 9.327106 18.09948 7.178991 2.878748       11.77000 
1 1 1 -4  42 7  o 45.31957 4.448873 106.6623       19.48116 57.87000       42.71149 119.4793       21.89083 29.72674 11.03037 47.80473 4.740649 -18.07799      12.00595 
1 1 1 -4  42 8  f 32.53763 7.639960 61.72509       23.91395 70.79000       40.60854 56.91250       29.58866 32.45052 10.86489 30.25448 9.186233 2.196037       14.22788 
1 1 1 -4  42 9  o 15.41735 6.367512 6.405254       15.60236 36.56000       38.13074 0.3411809      17.09935 25.62885 10.17933 14.57758 6.359696 11.05127       12.00268 
1 1 1 -4  42 10 o 32.20118 6.561642 58.18840       19.97914 49.31000       40.14771 61.11084       23.03381 28.00802 10.63012 32.47535 7.410256 -4.467335      12.95806 
1 1 1 -4  42 11 o 25.69355 6.627901 37.50269       16.77844 62.85000       39.72941 32.00063       18.51010 30.67427 10.73266 23.60740 7.284491 7.066866       12.97127 
1 1 1 -4  42 12 o 19.40012 6.786441 19.79080       15.88427 0.3367000E-01  38.23725 23.91132       17.46229 20.23991 9.126664 20.90747 7.124436 -0.6675606     11.57815 
1 1 1 -4  42 13 o 20.05137 6.664777 21.85333       15.28538 12.76000       38.67723 23.53646       16.63999 21.93826 9.567944 20.72801 6.955130 1.210253       11.82875 
1 1 1 -4  42 14 o 27.12801 6.246177 41.16219       16.24278 -26.16000      39.91021 54.52676       17.78207 17.97440 8.512819 31.47278 5.990976 -13.49838      10.40961 
1 1 1 -4  42 15 o 21.27135 6.969439 25.11685       16.73482 45.55000       39.48137 20.64177       18.47672 27.27353 10.49440 20.00818 7.283153 7.265354       12.77407 
1 1 1 -4  42 16 o 37.21664 6.252786 76.59950       21.97115 128.8000       42.45902 57.51001       25.67615 44.95772 9.915312 30.81138 8.320096 14.14634       12.94362 
1 1 1 -4  42 17 o 30.63127 6.798872 53.47549       19.85273 -4.030000      40.18480 72.04266       22.83389 20.08942 9.175220 35.69943 6.782408 -15.61001      11.40990 
1 1 1 -4  42 18 o 14.79575 6.148356 5.375513       14.67092 0.000000       0.000000 5.375513       14.67092 ?        ?        14.79575 6.148356 ?              ?        
1 1 1 -4  42 19 o 31.85617 9.052009 63.73164       29.54924 61.94000       39.93270 65.90000       43.93068 30.27338 10.74562 30.81809 11.22845 -0.5447102     15.54176 
1 1 1 -4  42 20 f 25.81473 9.190258 40.42165       29.22914 23.39000       39.64717 60.70000       43.26138 23.42658 9.942587 29.84982 11.09639 -6.423239      14.89916 
1 1 1 -4  42 21 o 26.23311 9.296676 42.21249       29.87929 47.41000       40.55274 36.04000       44.19296 27.41331 10.61247 25.72360 10.67865 1.689705       15.05517 
1 1 1 -4  42 22 o 24.74418 9.243326 35.79631       30.09016 1.149000       40.00203 80.95000       45.66609 20.57088 9.299870 33.53469 11.51861 -12.96381      14.80426 
1 1 1 -4  42 23 o 18.61476 8.214992 3.487636       29.28249 31.48000       39.53547 -30.53000      43.58320 24.59266 10.14445 18.29104 8.728756 6.301619       13.38286 
1 1 1 -4  42 24 o 28.55649 9.436939 52.38397       30.65761 53.90000       41.23417 50.51000       45.84414 28.41443 10.77562 27.83257 11.12613 0.5818596      15.48886 
1 1 1 -4  42 25 o 33.69512 9.158988 72.31417       30.99308 90.60000       41.98609 50.42000       45.94227 35.90276 10.95117 27.77916 11.12677 8.123596       15.61195 
1 1 1 -4  42 26 o 24.59014 10.04821 32.93000       38.32253 32.93000       38.32253 0.000000       0.000000 24.59014 10.04821 ?        ?        ?              ?        
1 1 1 -4  42 27 o 20.64039 8.576873 17.59852       28.54838 3.394000       37.52790 37.11000       43.98314 20.14389 9.066140 25.47163 10.62009 -5.327738      13.96357 
1 1 1 -4  42 28 o 22.46568 9.979803 15.18000       43.91439 0.000000       0.000000 15.18000       43.91439 ?        ?        22.46568 9.979803 ?              ?        
1 1 1 -4  42 29 o 33.17061 9.229866 72.01161       31.06018 64.23000       42.30658 81.11000       45.74626 29.72219 10.98726 32.59433 11.50767 -2.872135      15.91057 
1 1 1 -4  42 30 o 39.16703 8.474573 95.84183       31.54428 75.53000       42.33282 121.2000       47.30005 31.69702 11.07956 40.22513 11.46002 -8.528105      15.94016 
1 1 1 -4  42 31 o 37.93111 8.647639 91.23504       31.39144 62.47000       42.29912 126.5000       46.83500 29.04420 10.93630 41.36862 11.26493 -12.32442      15.70036 
1 1 1 -4  43 1  o 18.88116 7.363152 15.93621       19.63266 22.38000       33.83366 12.66505       24.10619 22.59633 9.358726 19.09052 7.902522 3.505816       12.24890 
1 1 1 -4  43 2  o 27.04673 6.947065 42.06863       18.48734 38.87000       34.64521 43.34204       21.85975 25.72627 9.848033 27.03342 7.818867 -1.307152      12.57452 
1 1 1 -4  43 3  o 32.96390 7.058334 62.23101       22.08767 0.000000       0.000000 62.23101       22.08767 ?        ?        32.96390 7.058334 ?              ?        
1 1 1 -4  43 4  o 26.25074 7.532293 40.42137       20.36279 0.000000       0.000000 40.42137       20.36279 ?        ?        26.25074 7.532293 ?              ?        
1 1 1 -4  43 5  f 34.06073 6.258197 64.36125       20.09593 79.52000       37.64296 58.31888       23.76598 34.61361 10.32857 31.41867 7.771433 3.194939       12.92573 
1 1 1 -4  43 6  o 28.34157 6.561722 45.44066       17.84377 59.21000       37.60989 41.44090       20.27042 29.98044 10.44563 26.60761 7.475585 3.372826       12.84506 
1 1 1 -4  43 7  o 19.31404 6.940341 19.22963       16.70983 20.84000       37.11768 18.82031       18.71337 22.82432 9.650556 19.49821 7.288249 3.326117       12.09346 
1 1 1 -4  43 8  o 27.94154 8.114767 46.81904       23.50150 34.24000       39.37261 53.78144       29.29208 25.21673 10.22936 29.30984 9.182946 -4.093111      13.74650 
1 1 1 -4  43 9  o 18.38199 6.759281 16.64915       15.97555 26.52000       36.74097 14.34782       17.74037 23.66372 9.772090 18.06609 7.012244 5.597637       12.02769 
1 1 1 -4  43 10 o 41.97472 5.296151 94.21117       21.27633 60.51000       39.87911 107.6211       25.15566 30.01939 10.72954 44.44165 5.930728 -14.42226      12.25955 
1 1 1 -4  43 11 o 17.05800 6.705922 11.95414       16.39416 43.36000       37.19396 4.381258       18.26407 26.59679 10.19818 15.76593 6.721758 10.83086       12.21412 
1 1 1 -4  43 12 o 25.18767 6.637086 36.24795       16.58996 15.85000       36.76502 41.46334       18.59025 21.91253 9.442889 26.76473 7.012991 -4.852201      11.76224 
1 1 1 -4  43 13 f 39.12085 4.749153 80.69290       17.81370 72.21000       40.09723 82.77887       19.88366 32.42232 10.79505 39.29368 5.305130 -6.871361      12.02820 
1 1 1 -4  43 14 o 25.68590 6.878374 38.03049       17.63807 80.08000       39.99146 27.87560       19.65279 34.14864 10.73415 22.19612 7.558192 11.95252       13.12815 
1 1 1 -4  43 15 o 24.75948 7.883951 36.29635       21.51116 85.99000       40.29989 16.49636       25.43817 35.38946 10.71566 20.05223 8.189388 15.33723       13.48672 
1 1 1 -4  43 16 o 28.10339 8.325293 48.20128       24.52734 0.000000       0.000000 48.20128       24.52734 ?        ?        28.10339 8.325293 ?              ?        
1 1 1 -4  43 17 o 17.50979 7.099195 11.30375       18.95169 19.72000       40.38069 8.926250       21.46223 22.92861 9.888661 17.61970 7.387566 5.308918       12.34349 
1 1 1 -4  43 18 o 42.52372 5.461950 97.43603       22.21012 67.23000       44.04601 107.7351       25.71930 30.90038 11.24547 44.26455 6.097891 -13.36417      12.79237 
1 1 1 -4  43 19 o 22.94515 9.112618 27.37111       30.55539 -0.4511000     41.70860 59.60000       44.89030 20.64515 9.397598 29.44335 11.22489 -8.798197      14.63943 
1 1 1 -4  43 20 f 22.68626 9.043963 26.52829       30.20763 13.77000       41.09188 41.53000       44.55845 22.14703 9.754374 26.36808 10.81175 -4.221050      14.56165 
1 1 1 -4  43 21 o 23.90551 9.104250 32.90942       29.51161 29.01000       39.51107 37.83000       44.38411 24.02227 10.04445 25.72863 10.69302 -1.706356      14.67077 
1 1 1 -4  43 22 o 37.09100 8.605239 84.94437       30.63631 76.46000       40.72131 96.01000       46.50505 32.87630 10.87655 36.04277 11.60401 -3.166466      15.90448 
1 1 1 -4  43 23 o 23.18091 8.920800 29.97599       28.53149 10.64000       37.68357 55.95000       43.67554 21.14444 9.325802 28.60611 11.02974 -7.461674      14.44388 
1 1 1 -4  43 24 o 24.13976 9.204654 34.40304       30.18935 67.13000       39.83506 -9.757000      46.27298 30.80029 10.74897 20.30689 9.473907 10.49340       14.32813 
1 1 1 -4  43 25 o 20.74206 9.212615 9.233000       37.40672 9.233000       37.40672 0.000000       0.000000 20.74206 9.212615 ?        ?        ?              ?        
1 1 1 -4  43 26 o 56.27430 6.359470 177.4890       34.41674 151.3000       45.73045 211.7000       52.26711 47.58502 10.12920 57.16357 9.686743 -9.578548      14.01548 
1 1 1 -4  43 27 o 23.88951 10.32068 29.01000       44.13368 0.000000       0.000000 29.01000       44.13368 ?        ?        23.88951 10.32068 ?              ?        
1 1 1 -4  43 28 f 35.97296 8.807128 83.54935       30.75765 72.74000       40.80599 97.77000       46.80407 31.07751 10.87686 35.08344 11.66247 -4.005938      15.94739 
1 1 1 -4  43 29 o 21.18055 8.661405 22.77763       28.50052 18.35000       37.91431 28.53000       43.21566 21.60821 9.447548 23.49031 10.18044 -1.882099      13.88875 
1 1 1 -4  44 1  o 21.21053 7.648551 24.46011       20.31480 14.67000       35.70985 29.14449       24.70134 21.52421 9.291165 22.82182 8.402678 -1.297604      12.52720 
1 1 1 -4  44 2  o 30.60013 7.342288 54.78042       21.71029 0.000000       0.000000 54.78042       21.71029 ?        ?        30.60013 7.342288 ?              ?        
1 1 1 -4  44 3  o 47.63593 5.242779 121.1053       24.04199 0.000000       0.000000 121.1053       24.04199 ?        ?        47.63593 5.242779 ?              ?        
1 1 1 -4  44 4  o 52.68917 4.108165 143.3459       21.01995 137.7000       42.95374 145.1236       24.10321 46.52325 9.745115 52.57512 4.734352 -6.051868      10.83427 
1 1 1 -4  44 5  o 22.41910 7.101076 28.73251       17.47075 20.62000       37.96308 30.91229       19.67841 22.73917 9.692728 23.12211 7.556473 -0.3829365     12.29021 
1 1 1 -4  44 6  o 29.51544 7.094822 50.54359       20.24298 0.000000       0.000000 50.54359       20.24298 ?        ?        29.51544 7.094822 ?              ?        
1 1 1 -4  44 7  o 20.49340 6.940509 23.16305       16.56955 6.050000       36.55634 27.58791       18.58868 20.46666 9.097815 22.03465 7.350407 -1.567987      11.69610 
1 1 1 -4  44 8  o 16.38996 6.734476 8.537278       17.33440 27.94000       35.72696 2.563358       19.82415 23.58175 9.676554 15.86003 6.884227 7.721723       11.87553 
1 1 1 -4  44 9  o 13.96855 6.523265 -14.26280      22.02594 22.81000       35.30618 -37.88502      28.18274 22.67054 9.488198 13.65502 6.639433 9.015527       11.58050 
1 1 1 -4  44 10 o 26.07817 6.729719 39.12512       17.29337 31.26000       36.86559 41.34410       19.58149 24.24362 9.874687 26.51965 7.309234 -2.276033      12.28553 
1 1 1 -4  44 11 f 33.28209 6.652827 62.85751       20.91496 55.50000       39.98692 65.62840       24.53930 28.78107 10.67401 33.28098 7.687690 -4.499901      13.15428 
1 1 1 -4  44 12 o 26.61058 7.091405 41.30619       18.80419 63.45000       41.43715 35.56337       21.10214 30.25889 10.92204 24.50132 7.809413 5.757563       13.42676 
1 1 1 -4  44 13 o 23.27270 6.874614 31.20292       16.74380 -40.20000      41.37527 45.18639       18.31008 17.02064 8.220527 28.03144 6.753642 -11.01080      10.63902 
1 1 1 -4  44 14 o 17.24587 6.679823 13.08247       16.07259 -2.935000      40.26450 16.11846       17.52976 20.06345 9.171316 18.41611 7.016003 1.647341       11.54718 
1 1 1 -4  44 15 o 51.88329 6.020942 147.5316       30.01010 0.000000       0.000000 147.5316       30.01010 ?        ?        51.88329 6.020942 ?              ?        
1 1 1 -4  44 16 o 15.08909 6.741051 -2.388088      20.33147 -15.27000      38.63034 2.547321       23.91112 18.41275 8.611855 17.01083 7.468262 1.401918       11.39908 
1 1 1 -4  44 17 o 34.71160 9.092732 76.81290       31.25693 99.17000       42.60369 50.75000       45.99928 37.49539 10.93625 27.66575 11.11566 9.829639       15.59358 
1 1 1 -4  44 18 o 25.66168 9.299622 40.97324       30.07884 28.57000       40.34765 56.49000       45.12853 23.94380 10.08951 28.57575 11.15781 -4.631945      15.04310 
1 1 1 -4  44 19 o 16.49640 7.577118 -8.532202      27.93027 4.753000       37.12878 -25.85000      42.39093 20.25012 9.073539 18.24872 8.680397 2.001408       12.55701 
1 1 1 -4  44 20 o 35.89075 8.741680 80.68221       30.42123 85.79000       40.93293 74.38000       45.46774 34.73852 10.85113 31.69687 11.44093 3.041647       15.76838 
1 1 1 -4  44 21 o 16.54045 7.572893 -6.880892      27.59660 7.334000       36.55004 -25.73000      42.08831 20.34146 9.066186 18.08618 8.616131 2.255278       12.50734 
1 1 1 -4  44 22 o 38.66156 8.436299 92.57069       31.02615 111.0000       41.72156 69.77000       46.40663 39.98232 10.52044 30.42850 11.45554 9.553820       15.55343 
1 1 1 -4  44 23 o 26.70421 10.33837 48.04000       38.48616 48.04000       38.48616 0.000000       0.000000 26.70421 10.33837 ?        ?        ?              ?        
1 1 1 -4  44 24 o 29.16685 9.192454 56.64381       29.31026 69.31000       38.88054 39.97000       44.60943 30.78291 10.62624 25.34122 10.63951 5.441689       15.03715 
1 1 1 -4  44 25 o 34.82511 11.53217 95.81000       45.77533 0.000000       0.000000 95.81000       45.77533 ?        ?        34.82511 11.53217 ?              ?        
1 1 1 -4  44 26 o 19.14733 8.293209 11.07967       28.64317 3.670000       38.00724 20.82000       43.57665 19.80344 8.997421 22.56783 9.987614 -2.764393      13.44269 
1 1 1 -4  45 1  o 27.37381 8.477265 46.31744       25.04166 0.000000       0.000000 46.31744       25.04166 ?        ?        27.37381 8.477265 ?              ?        
1 1 1 -4  45 2  o 47.17884 5.045331 118.4576       22.93801 79.95000       39.89138 137.4788       28.03661 33.83235 10.73193 50.22627 5.809800 -16.39392      12.20361 
1 1 1 -4  45 3  o 28.82014 6.638504 47.58374       18.34108 70.87000       37.18227 40.09575       21.08476 32.17921 10.37733 25.87940 7.731903 6.299814       12.94107 
1 1 1 -4  45 4  o 42.50689 4.828104 95.70223       19.73277 104.8000       40.68864 92.90444       22.56383 39.40612 10.39917 41.25050 5.743846 -1.844387      11.88001 
1 1 1 -4  45 5  o 17.86890 6.895182 14.57940       17.07833 34.39000       35.83949 8.759348       19.42569 24.61415 9.838167 16.98688 7.068199 7.627270       12.11400 
1 1 1 -4  45 6  o 48.37836 4.337518 121.9749       20.32216 137.7000       41.89881 117.1376       23.23867 46.56910 9.513560 46.82905 5.154953 -0.2599564     10.82041 
1 1 1 -4  45 7  o 24.47818 6.914804 34.80019       17.29450 -23.24000      35.94100 52.28843       19.72872 17.05810 8.078725 30.10797 6.849327 -13.04987      10.59146 
1 1 1 -4  45 8  o 26.48746 6.694670 40.44594       17.36247 93.28000       38.38211 26.85315       19.46822 37.23563 10.22163 21.76632 7.519030 15.46931       12.68927 
1 1 1 -4  45 9  o 23.61631 9.098882 31.63865       29.70627 0.000000       0.000000 31.63865       29.70627 ?        ?        23.61631 9.098882 ?              ?        
1 1 1 -4  45 10 o 36.29430 5.535202 71.80746       19.04294 65.12000       39.43679 73.84087       21.74619 30.50379 10.69159 36.24844 6.360854 -5.744650      12.44068 
1 1 1 -4  45 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -4  45 12 o 31.17200 6.023072 54.32613       17.71245 46.90000       37.88563 56.40336       20.03715 26.84417 10.29268 31.30507 6.738722 -4.460897      12.30243 
1 1 1 -4  45 13 o 26.02887 7.325035 40.25912       19.44546 0.000000       0.000000 40.25912       19.44546 ?        ?        26.02887 7.325035 ?              ?        
1 1 1 -4  45 14 o 19.38268 6.946400 20.05376       16.72665 28.24000       37.79503 18.05987       18.65278 23.57766 9.838655 19.06339 7.243256 4.514271       12.21736 
1 1 1 -4  45 15 f 37.85259 4.880176 76.42425       17.66131 89.83000       38.43331 72.83555       19.88525 36.16980 10.33851 36.36464 5.779766 -0.1948395     11.84443 
1 1 1 -4  45 16 o 29.22742 7.381744 50.92772       21.12023 61.88000       36.59373 45.45715       25.86250 29.88548 10.30933 26.85589 8.654188 3.029591       13.46021 
1 1 1 -4  45 17 o 17.32281 7.739673 0.5516674      26.80798 -22.93000      34.86568 34.51000       41.92826 16.66016 7.909685 24.68137 10.33548 -8.021217      13.01481 
1 1 1 -4  45 18 o 38.40004 8.177163 90.44703       29.79273 83.31000       39.29210 100.1000       45.69584 34.08771 10.62892 36.35696 11.48038 -2.269245      15.64522 
1 1 1 -4  45 19 o 27.21652 9.113118 48.53218       28.56932 24.13000       37.21314 83.56000       44.58497 22.57696 9.609143 32.99305 11.37953 -10.41610      14.89394 
1 1 1 -4  45 20 o 22.67713 8.865518 29.64780       28.51929 28.19000       37.11301 31.75000       44.56720 23.09382 9.700728 24.18112 10.40836 -1.087297      14.22808 
1 1 1 -4  45 21 o 21.66202 9.401256 19.35000       36.95932 19.35000       36.95932 0.000000       0.000000 21.66202 9.401256 ?        ?        ?              ?        
1 1 1 -4  45 22 o 16.99381 7.745690 -3.058523      28.45235 15.78000       36.24673 -33.30000      45.92477 20.96117 9.199044 17.90904 8.652321 3.052130       12.62874 
1 1 1 -4  45 23 o 28.28547 9.152239 54.07456       28.90618 34.00000       37.68972 82.75000       45.04586 23.81413 9.871690 32.14261 11.41249 -8.328478      15.08957 
1 1 1 -4  46 1  o 45.71398 4.884864 111.2006       21.51950 0.000000       0.000000 111.2006       21.51950 ?        ?        45.71398 4.884864 ?              ?        
1 1 1 -4  46 2  o 44.55839 5.339221 107.2944       22.82386 0.000000       0.000000 107.2944       22.82386 ?        ?        44.55839 5.339221 ?              ?        
1 1 1 -4  46 3  o 18.31310 7.628017 11.73268       22.65889 0.000000       0.000000 11.73268       22.65889 ?        ?        18.31310 7.628017 ?              ?        
1 1 1 -4  46 4  o 51.12527 4.195912 136.0585       20.81293 170.8000       40.70547 123.7609       24.21801 53.45679 8.027078 47.95847 5.244411 5.498322       9.588421 
1 1 1 -4  46 5  o 19.15427 7.048190 19.15408       17.37539 10.48000       34.15910 22.18174       20.18126 20.35652 8.932054 20.36264 7.577109 -0.6116867E-02 11.71299 
1 1 1 -4  46 6  o 22.81717 7.102984 30.43357       17.55501 31.65000       36.16071 30.05848       20.08003 23.92121 9.766073 22.64402 7.640541 1.277193       12.39976 
1 1 1 -4  46 7  o 20.78474 7.058504 24.39307       17.13867 6.784000       35.91816 29.58425       19.50198 20.17867 8.990947 22.49854 7.529269 -2.319874      11.72719 
1 1 1 -4  46 8  o 11.44957 5.418720 -15.00548      16.11569 -30.47000      34.60654 -10.72316      18.21082 15.98551 7.668569 12.93884 6.004840 3.046670       9.739869 
1 1 1 -4  46 9  o 26.94510 7.400752 43.45969       20.11439 56.98000       37.65770 38.06245       23.79281 28.71978 10.40580 24.90567 8.316080 3.814108       13.32058 
1 1 1 -4  46 10 o 13.12797 6.257497 -21.16320      22.26178 -14.32000      34.92360 -25.84701      28.89272 17.50559 8.187795 14.79725 7.073923 2.708341       10.82037 
1 1 1 -4  46 11 o 29.27227 6.530963 49.40705       18.23712 -0.8273000     38.78411 63.66734       20.66416 19.68057 8.998130 33.31101 6.571109 -13.63044      11.14207 
1 1 1 -4  46 12 o 37.55984 7.101648 82.49937       25.15266 0.000000       0.000000 82.49937       25.15266 ?        ?        37.55984 7.101648 ?              ?        
1 1 1 -4  46 13 o 43.00317 4.569987 97.92957       18.94208 112.8000       39.85530 93.59045       21.52902 40.73816 10.05640 41.39747 5.444933 -0.6593056     11.43584 
1 1 1 -4  46 14 o 45.01007 4.918061 108.5685       21.31535 105.5000       40.92752 109.7105       24.96895 38.57724 10.54113 44.45549 5.882324 -5.878242      12.07134 
1 1 1 -4  46 15 o 37.57375 5.115346 76.56154       18.32525 92.39000       38.94897 72.06154       20.76743 35.94697 10.44865 35.68391 6.168808 0.2630653      12.13377 
1 1 1 -4  46 16 o 12.91145 6.309353 -37.32719      26.36067 -21.57000      33.44516 -63.17000      42.83154 16.26434 7.728988 15.53663 7.679635 0.7277060      10.89560 
1 1 1 -4  46 17 o 21.10599 8.585275 23.00382       27.82244 3.352000       35.58504 53.91000       44.62608 19.29623 8.742778 27.13358 10.93216 -7.837351      13.99816 
1 1 1 -4  46 18 o 21.38962 8.593785 24.97937       27.49395 26.85000       35.48591 22.17000       43.48762 22.44386 9.460052 22.52938 9.973667 -0.8552551E-01 13.74651 
1 1 1 -4  46 19 f 17.62167 7.815695 4.318383       26.82846 12.45000       34.68745 -7.788000      42.32443 20.23812 8.935815 19.23219 9.001313 1.005926       12.68355 
1 1 1 -4  46 20 o 24.58767 9.864031 40.31000       36.16578 40.31000       36.16578 0.000000       0.000000 24.58767 9.864031 ?        ?        ?              ?        
1 1 1 -4  47 1  o 13.34494 6.394236 -23.95866      23.90230 0.000000       0.000000 -23.95866      23.90230 ?        ?        13.34494 6.394236 ?              ?        
1 1 1 -4  47 2  o 16.54099 6.884444 8.816001       18.43564 0.000000       0.000000 8.816001       18.43564 ?        ?        16.54099 6.884444 ?              ?        
1 1 1 -4  47 3  o 17.25090 7.171212 10.28452       19.96873 0.000000       0.000000 10.28452       19.96873 ?        ?        17.25090 7.171212 ?              ?        
1 1 1 -4  47 4  o 18.90063 7.167208 18.31963       18.24126 0.000000       0.000000 18.31963       18.24126 ?        ?        18.90063 7.167208 ?              ?        
1 1 1 -4  47 5  o 15.58874 6.594016 6.026757       17.34126 0.000000       0.000000 6.026757       17.34126 ?        ?        15.58874 6.594016 ?              ?        
1 1 1 -4  47 6  o 49.50476 4.238757 128.4790       20.34212 140.3000       39.91858 124.3325       23.64215 46.78979 9.043257 47.98907 5.111716 -1.199276      10.38798 
1 1 1 -4  47 7  o 30.54826 6.312869 53.58875       18.25191 43.63000       35.63765 57.12973       21.25047 25.63667 9.942028 30.92674 7.161110 -5.290079      12.25257 
1 1 1 -4  47 8  f 27.13261 7.144338 44.28679       19.23180 48.96000       35.54562 42.35261       22.86796 26.65523 10.02778 25.92523 8.112446 0.7299976      12.89837 
1 1 1 -4  47 9  o 15.19353 6.523791 4.304310       17.42745 34.68000       35.34263 -5.454226      20.03218 23.89511 9.692278 14.28079 6.505310 9.614320       11.67302 
1 1 1 -4  47 10 o 20.15947 8.549607 16.81956       29.27908 0.000000       0.000000 16.81956       29.27908 ?        ?        20.15947 8.549607 ?              ?        
1 1 1 -4  47 11 o 23.41282 7.073918 33.01273       17.57584 43.14000       37.57785 30.17692       19.88493 25.32699 10.09027 22.34505 7.602806 2.981945       12.63393 
1 1 1 -4  47 12 o 27.27660 7.514197 46.03559       20.70076 33.10000       37.37389 51.76032       24.86296 23.55104 9.802149 28.23409 8.386598 -4.683046      12.90028 
1 1 1 -4  47 13 o 38.67448 5.219519 82.04171       19.25489 107.0000       40.72272 74.85518       21.85190 38.16301 10.54934 35.94954 6.446814 2.213467       12.36325 
1 1 1 -4  47 14 o 56.31696 4.710553 169.6483       25.72907 131.4000       43.86110 189.7146       31.76922 42.66537 10.56003 58.56036 5.610940 -15.89498      11.95813 
1 1 1 -4  47 15 o 30.01430 9.254915 62.30149       29.88457 52.81000       39.58527 74.88000       45.57019 26.73628 10.44704 30.15371 11.35189 -3.417427      15.42745 
1 1 1 -4  48 1  o 19.32463 7.243670 20.51114       18.51189 0.000000       0.000000 20.51114       18.51189 ?        ?        19.32463 7.243670 ?              ?        
1 1 1 -4  48 2  f 19.25402 7.963361 16.88270       24.45000 0.000000       0.000000 16.88270       24.45000 ?        ?        19.25402 7.963361 ?              ?        
1 1 1 -4  48 3  o 15.16870 6.589853 3.547706       18.19752 0.000000       0.000000 3.547706       18.19752 ?        ?        15.16870 6.589853 ?              ?        
1 1 1 -4  48 4  o 30.33552 7.381731 56.56852       21.70763 0.000000       0.000000 56.56852       21.70763 ?        ?        30.33552 7.381731 ?              ?        
1 1 1 -4  48 5  o 17.95456 7.043857 15.70707       18.05609 0.000000       0.000000 15.70707       18.05609 ?        ?        17.95456 7.043857 ?              ?        
1 1 1 -4  48 6  o 16.70846 6.956379 9.942693       18.83164 0.000000       0.000000 9.942693       18.83164 ?        ?        16.70846 6.956379 ?              ?        
1 1 1 -4  48 7  o 12.92341 6.017129 -10.34310      18.51665 0.000000       0.000000 -10.34310      18.51665 ?        ?        12.92341 6.017129 ?              ?        
1 1 1 -4  48 8  o 28.29019 11.15165 65.05000       45.44458 0.000000       0.000000 65.05000       45.44458 ?        ?        28.29019 11.15165 ?              ?        
1 1 1 -4  48 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  1  o 317.7205 8.609185 4956.299       267.2957 4956.299       267.2957 4956.299       267.2957 317.7205 8.609185 317.7205 8.609185 0.000000       0.000000 
1 1 1 -3  0  2  o 360.0207 9.671799 6365.311       340.2764 6365.311       340.2764 6365.311       340.2764 360.0207 9.671799 360.0207 9.671799 0.000000       0.000000 
1 1 1 -3  0  3  o 325.6343 8.809914 5206.482       280.3424 5206.482       280.3424 5206.482       280.3424 325.6343 8.809914 325.6343 8.809914 -0.000000      0.000000 
1 1 1 -3  0  4  o 82.82810 3.406302 337.5153       27.50999 337.5153       27.50999 337.5153       27.50999 82.82810 3.406302 82.82810 3.406302 0.000000       0.000000 
1 1 1 -3  0  5  o 247.0914 6.883029 2996.980       166.1807 2996.980       166.1807 2996.980       166.1807 247.0914 6.883029 247.0914 6.883029 0.000000       0.000000 
1 1 1 -3  0  6  o 651.1406 17.16133 20885.35       1092.068 20885.35       1092.068 20885.35       1092.068 651.1406 17.16133 651.1406 17.16133 0.000000       0.000000 
1 1 1 -3  0  7  o 299.0530 8.166172 4391.666       238.6383 4391.666       238.6383 4391.666       238.6383 299.0530 8.166172 299.0530 8.166172 0.000000       0.000000 
1 1 1 -3  0  8  o 353.3205 9.525834 6133.943       328.9000 6133.943       328.9000 6133.943       328.9000 353.3205 9.525834 353.3205 9.525834 0.000000       0.000000 
1 1 1 -3  0  9  o 248.2307 6.937683 3026.302       168.2706 3026.302       168.2706 3026.302       168.2706 248.2307 6.937683 248.2307 6.937683 0.000000       0.000000 
1 1 1 -3  0  10 o 110.2282 4.026672 597.2879       43.31380 597.2879       43.31380 597.2879       43.31380 110.2282 4.026672 110.2282 4.026672 0.000000       0.000000 
1 1 1 -3  0  11 o 336.9198 9.131053 5579.841       300.6297 5579.841       300.6297 5579.841       300.6297 336.9198 9.131053 336.9198 9.131053 -0.000000      0.000000 
1 1 1 -3  0  12 o 70.22121 3.839129 243.5649       26.20654 243.5649       26.20654 243.5649       26.20654 70.22121 3.839129 70.22121 3.839129 0.000000       0.000000 
1 1 1 -3  0  13 o 20.22836 8.633380 28.48269       17.41018 28.48269       17.41018 28.48269       17.41018 20.22836 8.633380 20.22836 8.633380 0.000000       0.000000 
1 1 1 -3  0  14 o 367.8669 9.909179 6645.976       356.2228 6645.976       356.2228 6645.976       356.2228 367.8669 9.909179 367.8669 9.909179 0.000000       0.000000 
1 1 1 -3  0  15 o 389.1507 10.44762 7436.827       397.3135 7436.827       397.3135 7436.827       397.3135 389.1507 10.44762 389.1507 10.44762 -0.000000      0.000000 
1 1 1 -3  0  16 f 563.6473 14.90024 15620.15       820.7678 15620.15       820.7678 15620.15       820.7678 563.6473 14.90024 563.6473 14.90024 0.000000       0.000000 
1 1 1 -3  0  17 o 481.1209 12.78977 11374.60       601.3524 11374.60       601.3524 11374.60       601.3524 481.1209 12.78977 481.1209 12.78977 0.000000       0.000000 
1 1 1 -3  0  18 o 134.4928 6.686319 892.3000       87.52362 892.3000       87.52362 892.3000       87.52362 134.4928 6.686319 134.4928 6.686319 0.000000       0.000000 
1 1 1 -3  0  19 o 382.9438 14.65154 7229.000       547.3640 7229.000       547.3640 7229.000       547.3640 382.9438 14.65154 382.9438 14.65154 -0.000000      0.000000 
1 1 1 -3  0  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  0  21 o 324.8828 8.891356 5184.329       282.2702 5184.329       282.2702 5184.329       282.2702 324.8828 8.891356 324.8828 8.891356 0.000000       0.000000 
1 1 1 -3  0  22 o 282.7184 11.17054 3940.000       308.0268 3940.000       308.0268 3940.000       308.0268 282.7184 11.17054 282.7184 11.17054 0.000000       0.000000 
1 1 1 -3  0  23 o 37.94211 12.13493 89.26000       39.71478 89.26000       39.71478 89.26000       39.71478 37.94211 12.13493 37.94211 12.13493 0.000000       0.000000 
1 1 1 -3  0  24 o 174.0433 5.423919 1487.995       92.19765 1487.995       92.19765 1487.995       92.19765 174.0433 5.423919 174.0433 5.423919 0.000000       0.000000 
1 1 1 -3  0  25 f 41.83302 7.285685 93.17005       27.12513 93.17005       27.12513 93.17005       27.12513 41.83302 7.285685 41.83302 7.285685 0.000000       0.000000 
1 1 1 -3  0  26 o 82.36290 4.764075 335.5804       38.11099 335.5804       38.11099 335.5804       38.11099 82.36290 4.764075 82.36290 4.764075 0.000000       0.000000 
1 1 1 -3  0  27 o 304.7366 8.412108 4567.667       250.4880 4567.667       250.4880 4567.667       250.4880 304.7366 8.412108 304.7366 8.412108 0.000000       0.000000 
1 1 1 -3  0  28 o 101.6698 4.545641 509.3631       45.03054 509.3631       45.03054 509.3631       45.03054 101.6698 4.545641 101.6698 4.545641 0.000000       0.000000 
1 1 1 -3  0  29 o 193.6066 5.879082 1842.480       111.1803 1842.480       111.1803 1842.480       111.1803 193.6066 5.879082 193.6066 5.879082 0.000000       0.000000 
1 1 1 -3  0  30 o 132.2670 4.817782 860.5876       62.18618 860.5876       62.18618 860.5876       62.18618 132.2670 4.817782 132.2670 4.817782 0.000000       0.000000 
1 1 1 -3  0  31 o 193.3029 5.887128 1837.185       111.1565 1837.185       111.1565 1837.185       111.1565 193.3029 5.887128 193.3029 5.887128 0.000000       0.000000 
1 1 1 -3  0  32 o 371.3000 10.10580 6802.658       366.6689 6802.658       366.6689 6802.658       366.6689 371.3000 10.10580 371.3000 10.10580 -0.000000      0.000000 
1 1 1 -3  0  33 f 195.5679 5.969709 1881.371       114.0353 1881.371       114.0353 1881.371       114.0353 195.5679 5.969709 195.5679 5.969709 0.000000       0.000000 
1 1 1 -3  0  34 o 114.4667 4.777859 645.6901       53.32010 645.6901       53.32010 645.6901       53.32010 114.4667 4.777859 114.4667 4.777859 0.000000       0.000000 
1 1 1 -3  0  35 o 31.60143 10.79925 63.77679       29.98364 63.77679       29.98364 63.77679       29.98364 31.60143 10.79925 31.60143 10.79925 0.000000       0.000000 
1 1 1 -3  0  36 o 255.3263 7.327406 3215.864       182.7857 3215.864       182.7857 3215.864       182.7857 255.3263 7.327406 255.3263 7.327406 0.000000       0.000000 
1 1 1 -3  0  37 o 134.7347 5.052600 894.9255       66.42169 894.9255       66.42169 894.9255       66.42169 134.7347 5.052600 134.7347 5.052600 0.000000       0.000000 
1 1 1 -3  0  38 o 181.5788 8.323453 1640.000       147.2261 1640.000       147.2261 1640.000       147.2261 181.5788 8.323453 181.5788 8.323453 0.000000       0.000000 
1 1 1 -3  0  39 o 124.1666 7.236302 769.0000       87.25872 769.0000       87.25872 769.0000       87.25872 124.1666 7.236302 124.1666 7.236302 -0.000000      0.000000 
1 1 1 -3  0  40 o 46.82593 7.915760 117.2282       33.16906 117.2282       33.16906 117.2282       33.16906 46.82593 7.915760 46.82593 7.915760 0.000000       0.000000 
1 1 1 -3  0  41 o 89.28069 7.214375 402.4000       62.06967 402.4000       62.06967 402.4000       62.06967 89.28069 7.214375 89.28069 7.214375 0.000000       0.000000 
1 1 1 -3  0  42 o 92.66102 5.078469 426.8816       45.74286 426.8816       45.74286 426.8816       45.74286 92.66102 5.078469 92.66102 5.078469 0.000000       0.000000 
1 1 1 -3  0  43 o 28.01132 11.86417 56.08149       32.91854 56.08149       32.91854 56.08149       32.91854 28.01132 11.86417 28.01132 11.86417 0.000000       0.000000 
1 1 1 -3  0  44 o 96.57403 5.110586 464.1901       47.99917 464.1901       47.99917 464.1901       47.99917 96.57403 5.110586 96.57403 5.110586 0.000000       0.000000 
1 1 1 -3  0  45 f 26.07912 11.72367 50.04468       32.00189 50.04468       32.00189 50.04468       32.00189 26.07912 11.72367 26.07912 11.72367 0.000000       0.000000 
1 1 1 -3  0  46 o 19.53683 11.03704 26.65686       32.33778 26.65686       32.33778 26.65686       32.33778 19.53683 11.03704 19.53683 11.03704 0.000000       0.000000 
1 1 1 -3  0  47 o 63.28818 6.411805 205.4667       38.71013 205.4667       38.71013 205.4667       38.71013 63.28818 6.411805 63.28818 6.411805 -0.000000      0.000000 
1 1 1 -3  0  48 o 73.29366 5.683232 271.9072       40.19353 271.9072       40.19353 271.9072       40.19353 73.29366 5.683232 73.29366 5.683232 -0.000000      0.000000 
1 1 1 -3  0  49 o 19.34379 10.93711 27.07966       31.78984 27.07966       31.78984 27.07966       31.78984 19.34379 10.93711 19.34379 10.93711 0.000000       0.000000 
1 1 1 -3  0  50 o 41.60939 9.234162 99.73304       32.87446 99.73304       32.87446 99.73304       32.87446 41.60939 9.234162 41.60939 9.234162 0.000000       0.000000 
1 1 1 -3  0  51 o 62.49131 6.311916 201.8027       37.63401 201.8027       37.63401 201.8027       37.63401 62.49131 6.311916 62.49131 6.311916 0.000000       0.000000 
1 1 1 -3  0  52 o 16.51719 10.28511 12.27837       33.64545 12.27837       33.64545 12.27837       33.64545 16.51719 10.28511 16.51719 10.28511 -0.000000      0.000000 
1 1 1 -3  0  53 o 68.01717 9.978687 255.6000       62.25439 255.6000       62.25439 255.6000       62.25439 68.01717 9.978687 68.01717 9.978687 0.000000       0.000000 
1 1 1 -3  0  54 o 10.70656 7.527295 -30.62754      30.56906 -30.62754      30.56906 -30.62754      30.56906 10.70656 7.527295 10.70656 7.527295 0.000000       0.000000 
1 1 1 -3  0  55 f 15.74967 10.37164 -0.8601000     40.77964 -0.8601000     40.77964 -0.8601000     40.77964 15.74967 10.37164 15.74967 10.37164 -0.000000      0.000000 
1 1 1 -3  0  56 o 23.69332 11.37520 44.71956       30.43546 44.71956       30.43546 44.71956       30.43546 23.69332 11.37520 23.69332 11.37520 0.000000       0.000000 
1 1 1 -3  0  57 f 14.13579 9.775645 -27.69000      46.01613 -27.69000      46.01613 -27.69000      46.01613 14.13579 9.775645 14.13579 9.775645 0.000000       0.000000 
1 1 1 -3  0  58 o 51.32698 7.514081 143.0900       35.38732 143.0900       35.38732 143.0900       35.38732 51.32698 7.514081 51.32698 7.514081 0.000000       0.000000 
1 1 1 -3  0  59 o 46.75956 12.55850 139.9000       49.66605 139.9000       49.66605 139.9000       49.66605 46.75956 12.55850 46.75956 12.55850 0.000000       0.000000 
1 1 1 -3  0  60 o 19.75675 10.59411 31.30767       28.13260 31.30767       28.13260 31.30767       28.13260 19.75675 10.59411 19.75675 10.59411 0.000000       0.000000 
1 1 1 -3  0  61 o 57.20423 6.236050 171.8581       33.86503 171.8581       33.86503 171.8581       33.86503 57.20423 6.236050 57.20423 6.236050 0.000000       0.000000 
1 1 1 -3  0  62 o 26.56282 11.23861 53.88126       29.54412 53.88126       29.54412 53.88126       29.54412 26.56282 11.23861 26.56282 11.23861 0.000000       0.000000 
1 1 1 -3  0  63 o 17.05451 10.01913 21.19241       28.26459 21.19241       28.26459 21.19241       28.26459 17.05451 10.01913 17.05451 10.01913 -0.000000      0.000000 
1 1 1 -3  1  1  o 199.9077 4.041280 1956.719       79.07781 1964.216       112.0951 1949.291       111.5726 200.1637 5.727192 199.4014 5.722322 0.7622681      8.096030 
1 1 1 -3  1  2  o 588.8033 10.95184 17022.89       631.1949 17037.09       894.0598 17008.78       891.2356 587.8758 15.55093 587.3967 15.51441 0.4790649      21.96652 
1 1 1 -3  1  3  o 318.5157 6.082236 4970.213       189.6271 5075.454       272.0695 4870.792       264.4397 321.5893 8.651008 315.0408 8.583384 6.548492       12.18665 
1 1 1 -3  1  4  o 488.6556 9.128709 11712.90       436.6349 12015.40       628.8273 11431.26       606.7540 494.1812 13.01119 482.0379 12.87105 12.14322       18.30177 
1 1 1 -3  1  5  o 82.76820 2.425976 335.6199       19.63302 319.4752       27.27301 352.9853       28.28523 80.70660 3.460413 84.84348 3.412890 -4.136871      4.860275 
1 1 1 -3  1  6  o 322.3680 6.157445 5091.933       194.2936 5024.875       272.3017 5161.482       277.3122 319.9361 8.703312 324.2542 8.745282 -4.318176      12.33805 
1 1 1 -3  1  7  o 92.23260 2.565263 416.7534       23.13666 416.6810       32.68082 416.8263       32.75967 92.17847 3.629166 92.19413 3.637334 -0.1566315E-01 5.138195 
1 1 1 -3  1  8  o 176.6146 3.703936 1527.466       64.03190 1511.626       90.01062 1543.696       91.10893 175.5694 5.243554 177.4230 5.251980 -1.853699      7.421465 
1 1 1 -3  1  9  o 265.6627 5.184607 3458.785       134.8195 3480.543       191.4927 3437.399       189.8450 266.2144 7.355816 264.5603 7.338173 1.654144       10.39023 
1 1 1 -3  1  10 o 139.4530 3.174176 952.2953       43.32766 963.3387       61.64712 941.5149       60.90868 140.1483 4.499683 138.5502 4.497192 1.598068       6.361752 
1 1 1 -3  1  11 o 134.1180 3.121316 880.7842       40.97614 854.2909       57.13903 908.8348       58.79443 131.9777 4.429370 136.1310 4.418234 -4.153305      6.256206 
1 1 1 -3  1  12 f 78.17249 2.696626 299.5266       20.60298 336.9733       29.94292 265.8565       28.39288 82.87061 3.700703 73.57226 3.957220 9.298355       5.418006 
1 1 1 -3  1  13 o 150.0317 3.374143 1102.058       49.55104 1121.313       70.78130 1083.551       69.39089 151.2326 4.787560 148.6624 4.774840 2.570236       6.761644 
1 1 1 -3  1  14 o 303.7942 5.859318 4520.874       174.2339 4499.953       245.5934 4542.074       247.2227 302.8422 8.292835 304.2558 8.309024 -1.413605      11.73929 
1 1 1 -3  1  15 o 496.0247 9.273273 12065.20       450.2384 11968.00       633.0901 12164.67       640.4400 493.3664 13.12126 497.3986 13.16588 -4.032196      18.58784 
1 1 1 -3  1  16 o 597.5607 11.11504 17524.92       650.1287 17238.13       908.4570 17825.98       930.7913 591.6239 15.70133 601.6055 15.82018 -9.981567      22.28923 
1 1 1 -3  1  17 o 646.1719 13.87281 20527.88       877.4427 20644.62       1079.035 20300.00       1507.579 647.0388 17.05209 639.2106 24.13853 7.828186       29.55406 
1 1 1 -3  1  18 o 232.9489 5.419004 2657.753       123.5624 2619.484       150.1622 2738.000       217.4455 231.1281 6.644354 236.0779 9.428951 -4.949860      11.53484 
1 1 1 -3  1  19 o 180.5645 5.520980 1598.458       97.46402 1585.000       137.6210 1612.000       138.0499 179.6414 7.845500 181.1713 7.802969 -1.529922      11.06518 
1 1 1 -3  1  20 o 196.4385 5.855570 1892.151       112.4649 1864.000       158.0852 1921.000       160.0314 194.7816 8.310677 197.7448 8.286241 -2.963211      11.73581 
1 1 1 -3  1  21 o 406.9620 10.92947 8145.025       434.9764 0.000000       0.000000 8145.025       434.9764 ?        ?        406.9620 10.92947 ?              ?        
1 1 1 -3  1  22 o 381.1496 8.366428 7130.291       312.1345 7152.000       541.6935 7119.500       381.9117 380.3555 14.57681 380.4506 10.26492 -0.9509277E-01 17.82840 
1 1 1 -3  1  23 o 312.1895 6.973474 4780.915       213.0952 4750.707       259.8151 4843.000       372.4757 310.9066 8.545553 313.2441 12.17128 -2.337463      14.87167 
1 1 1 -3  1  24 o 299.3492 6.724603 4396.593       197.0385 4344.976       239.3948 4505.000       346.9347 297.2892 8.234700 302.0208 11.75805 -4.731506      14.35486 
1 1 1 -3  1  25 o 57.01770 4.337563 160.2174       24.02650 151.5000       41.82571 164.5107       29.35271 54.95710 8.010751 57.68925 5.255779 -2.732155      9.580989 
1 1 1 -3  1  26 o 395.0135 7.503437 7666.661       290.1205 7584.631       407.2445 7751.192       413.4096 391.9830 10.62386 396.2526 10.66836 -4.269562      15.05590 
1 1 1 -3  1  27 o 213.8176 5.096271 2242.006       106.6601 2283.000       186.3784 2222.042       130.0638 215.1463 8.869267 212.6643 6.255008 2.481964       10.85307 
1 1 1 -3  1  28 o 215.4155 5.144559 2276.189       108.4754 2289.541       133.2878 2250.000       186.6774 215.8318 6.315915 213.5023 8.952574 2.329483       10.95625 
1 1 1 -3  1  29 o 189.8007 4.077435 1765.793       75.75150 1791.232       108.0803 1741.231       106.2019 190.9271 5.789953 188.2435 5.770580 2.683578       8.174542 
1 1 1 -3  1  30 o 163.8790 3.736709 1316.202       59.94027 1342.828       85.50078 1290.470       84.05441 165.3298 5.290201 162.0694 5.305655 3.260391       7.492410 
1 1 1 -3  1  31 o 159.5792 3.699909 1248.139       57.79279 1227.087       80.97834 1269.992       82.50574 158.0255 5.242483 160.7665 5.250072 -2.740982      7.419359 
1 1 1 -3  1  32 o 124.6421 3.383611 761.9230       41.24294 739.2838       57.57315 785.7870       59.10984 122.6440 4.805170 126.4505 4.784286 -3.806480      6.780786 
1 1 1 -3  1  33 o 166.3938 3.820341 1357.599       62.22221 1385.386       89.05234 1331.092       86.97540 167.8400 5.427691 164.5177 5.408394 3.322327       7.662281 
1 1 1 -3  1  34 o 224.6535 4.644192 2478.006       102.1244 2476.835       144.5993 2479.170       144.2528 224.1386 6.598061 224.2490 6.578960 -0.1104431     9.317571 
1 1 1 -3  1  35 f 98.21155 3.399990 473.5670       32.63555 505.4818       47.22458 444.3914       45.15240 101.3185 4.775260 94.97204 4.873416 6.346428       6.822998 
1 1 1 -3  1  36 o 309.4075 6.072244 4720.757       183.9019 4662.905       257.8830 4780.620       262.3272 306.2299 8.611927 310.0512 8.652238 -3.821350      12.20764 
1 1 1 -3  1  37 o 116.5471 4.003406 668.1509       45.60286 649.5085       54.94991 709.4000       81.73811 114.7625 4.903008 119.4820 7.019941 -4.719513      8.562655 
1 1 1 -3  1  38 o 138.2614 3.597213 939.7593       48.64119 948.9447       69.00345 930.6872       68.57659 138.6268 5.093972 137.2806 5.112343 1.346222       7.216966 
1 1 1 -3  1  39 o 69.47184 4.606768 238.9838       31.14951 229.1000       56.87347 243.2191       37.23008 66.96124 8.897177 69.92006 5.483684 -2.958824      10.45134 
1 1 1 -3  1  40 f 173.7635 5.682034 1498.725       96.51266 0.000000       0.000000 1498.725       96.51266 ?        ?        173.7635 5.682034 ?              ?        
1 1 1 -3  1  41 o 69.46415 3.937253 238.6539       26.66112 255.7330       38.04855 222.1789       37.36966 71.57471 5.472403 66.60579 5.789385 4.968918       7.966440 
1 1 1 -3  1  42 o 67.52197 4.638779 226.7600       30.47251 225.6377       37.62424 228.9000       51.95258 67.05762 5.788715 66.77145 8.115396 0.2861786      9.968394 
1 1 1 -3  1  43 o 86.16571 3.653391 366.9474       30.74328 378.8449       43.53271 355.1099       43.42262 87.14690 5.126013 84.31210 5.288258 2.834801       7.364895 
1 1 1 -3  1  44 o 80.05235 3.796829 317.3352       29.66619 307.4292       41.72438 327.4625       42.18813 78.29764 5.478786 80.86055 5.360509 -2.562912      7.664996 
1 1 1 -3  1  45 o 91.94288 3.633425 418.2846       32.63506 399.8480       45.93104 437.0819       46.37811 89.35178 5.275136 93.50607 5.086338 -4.154289      7.327884 
1 1 1 -3  1  46 f 33.96553 7.256341 60.84377       23.39203 96.22713       33.56102 27.41350       32.62162 42.54298 8.357647 25.53341 9.606322 17.00957       12.73309 
1 1 1 -3  1  47 o 64.86595 4.259953 210.1726       26.89785 188.5730       37.61359 232.7784       38.47982 60.64175 6.434856 67.68600 5.865867 -7.044258      8.707225 
1 1 1 -3  1  48 o 47.36581 5.475370 114.5689       24.91859 145.2187       35.89478 86.05705       34.62020 52.69141 7.143428 39.56086 9.126264 13.13055       11.58953 
1 1 1 -3  1  49 o 74.61340 3.934219 278.1992       28.63150 307.0876       41.21014 251.2427       39.80836 77.67989 5.454545 70.01846 5.862145 7.661430       8.007298 
1 1 1 -3  1  50 f 58.68646 4.448566 173.7097       25.36397 205.8314       36.77350 144.5616       35.03012 63.16491 6.020488 52.36192 7.010707 10.80299       9.241011 
1 1 1 -3  1  51 o 51.67987 4.965075 136.1804       24.80751 134.5820       34.83264 137.8257       35.33908 50.25348 7.294226 50.85677 7.308724 -0.6032906     10.32585 
1 1 1 -3  1  52 o 64.40524 5.192262 212.0070       32.45565 216.4994       38.72335 201.4000       59.50222 64.51200 6.208934 58.98865 10.69914 5.523350       12.37023 
1 1 1 -3  1  53 o 44.82381 5.876031 104.9321       25.16076 115.6771       35.12666 93.61038       36.05693 45.87983 8.118860 40.50248 9.292634 5.377346       12.33973 
1 1 1 -3  1  54 o 46.46169 8.091864 119.0280       35.46368 0.000000       0.000000 119.0280       35.46368 ?        ?        46.46169 8.091864 ?              ?        
1 1 1 -3  1  55 o 43.42710 6.835273 101.6570       28.09589 54.93000       49.42081 123.9706       34.15162 31.07184 11.79379 47.55920 7.591257 -16.48736      14.02571 
1 1 1 -3  1  56 o 18.42061 7.823082 5.679141       24.57266 26.89001       30.29660 -35.10000      42.00817 23.91132 9.195009 18.37988 8.713324 5.531441       12.66768 
1 1 1 -3  1  57 o 36.49882 6.897633 72.67057       23.73978 81.95564       33.97078 63.80790       33.18911 37.37680 9.318192 32.80564 9.675663 4.571163       13.43306 
1 1 1 -3  1  58 o 63.56366 5.191068 209.0996       32.01669 218.3574       38.94586 189.8000       56.23185 64.17625 6.280141 56.04046 10.64022 8.135792       12.35534 
1 1 1 -3  1  59 o 26.87340 7.704683 40.65727       21.31386 42.60838       24.13715 33.75000       45.41490 27.36730 8.294311 26.96630 10.96885 0.4009991      13.75177 
1 1 1 -3  1  60 o 23.53012 8.426269 29.07445       24.60767 22.74385       29.10595 44.94000       46.07732 22.68792 8.930337 28.68534 11.25274 -5.997414      14.36576 
1 1 1 -3  1  61 o 37.60240 5.887027 75.53159       20.95758 56.91562       29.68490 94.03162       29.59231 30.96590 9.155195 40.94650 7.665038 -9.980600      11.94028 
1 1 1 -3  1  62 o 40.76582 5.546760 88.13860       21.55950 77.09070       30.39346 99.32761       30.58694 36.15248 8.695583 41.89425 7.744095 -5.741768      11.64406 
1 1 1 -3  1  63 o 33.22472 7.328534 62.73728       23.19234 74.80672       29.75061 44.04000       37.02897 35.45150 8.650990 27.40880 10.25079 8.042698       13.41336 
1 1 1 -3  2  1  o 335.8604 6.387762 5526.831       209.9973 5433.101       293.6279 5624.968       300.4517 332.6948 9.024983 338.5170 9.075698 -5.822144      12.79916 
1 1 1 -3  2  2  o 1032.683 19.18576 52715.80       1939.332 53294.05       2767.991 52158.28       2717.953 1032.672 27.40817 1021.762 27.20023 10.91071       38.61425 
1 1 1 -3  2  3  o 659.6851 12.24533 21385.41       790.7028 21511.63       1122.513 21261.09       1113.981 660.0446 17.38963 656.1973 17.35876 3.847290       24.57083 
1 1 1 -3  2  4  o 412.5703 10.99953 8363.974       443.8036 8568.000       638.2675 8173.000       617.5132 416.7221 15.67563 407.0202 15.52821 9.701843       22.06469 
1 1 1 -3  2  5  o 133.6704 3.031670 874.7080       39.66644 898.7817       56.82994 851.8377       55.39136 135.4111 4.293048 131.8235 4.298571 3.587646       6.075194 
1 1 1 -3  2  6  o 268.9050 5.226731 3542.032       137.5736 3588.532       196.1752 3497.034       192.9810 270.4438 7.417737 266.9734 7.391944 3.470398       10.47204 
1 1 1 -3  2  7  o 390.4474 7.369176 7475.830       281.6357 7490.677       398.7571 7461.051       397.8305 390.3082 10.44685 389.5357 10.44327 0.7725220      14.77154 
1 1 1 -3  2  8  o 217.9171 4.372779 2326.039       93.27279 2312.229       131.3854 2340.072       132.4362 217.0916 6.189298 218.3947 6.201521 -1.303146      8.761637 
1 1 1 -3  2  9  o 203.5694 4.142487 2029.952       82.54291 2024.653       116.5143 2035.291       116.9535 203.1290 5.866191 203.6617 5.872885 -0.5327759     8.300781 
1 1 1 -3  2  10 o 332.8638 6.359883 5434.601       207.2153 5375.275       290.8143 5495.783       295.3314 330.5569 8.996368 334.2370 9.035402 -3.680084      12.75042 
1 1 1 -3  2  11 o 286.5063 5.550358 4023.565       155.6544 4030.610       220.3581 4016.549       219.8997 286.4285 7.867161 285.9284 7.864547 0.5000610      11.12400 
1 1 1 -3  2  12 o 516.4189 9.654031 13101.24       487.9969 12688.31       674.6597 13554.35       706.7196 507.1009 13.60432 524.0753 13.78874 -16.97446      19.37026 
1 1 1 -3  2  13 o 567.8820 10.58251 15838.15       588.2377 15268.14       810.2648 16473.36       855.3527 556.4282 14.89026 577.9157 15.13381 -21.48755      21.23092 
1 1 1 -3  2  14 o 201.3735 4.151316 1985.493       81.82656 1952.950       114.6650 2019.263       116.8052 199.5869 5.875781 202.9494 5.886093 -3.362503      8.316904 
1 1 1 -3  2  15 o 88.36190 2.917099 382.6160       25.19572 365.6012       35.18160 400.5311       36.10043 86.31225 4.176649 90.35516 4.092438 -4.042908      5.847431 
1 1 1 -3  2  16 o 747.6249 16.02596 27515.59       1172.773 27468.73       1434.620 27610.00       2036.216 745.6368 19.67356 743.9730 28.01153 1.663757       34.23003 
1 1 1 -3  2  17 o 150.2368 3.993694 1105.860       58.67754 1116.122       72.26445 1086.000       100.5302 150.8916 4.899248 148.7169 6.925072 2.174744       8.482880 
1 1 1 -3  2  18 o 439.5890 8.267883 9473.618       355.7520 9468.162       502.8422 9479.087       503.3768 438.9285 11.71440 439.1809 11.72012 -0.2524414     16.57071 
1 1 1 -3  2  19 o 331.3171 9.016639 5388.180       292.1399 5466.000       416.7609 5313.000       409.6278 333.2084 12.80187 328.5108 12.76323 4.697571       18.07728 
1 1 1 -3  2  20 o 399.1442 8.726423 7815.074       340.9355 7732.000       585.9258 7857.599       419.2114 395.8201 15.15100 399.8531 10.72058 -4.033020      18.56027 
1 1 1 -3  2  21 o 492.1333 10.66020 11901.23       513.5166 11570.00       871.8701 12077.17       635.4259 482.9539 18.47743 495.0741 13.12416 -12.12015      22.66405 
1 1 1 -3  2  22 o 321.9394 7.168133 5083.367       225.8845 5161.000       394.9027 5045.615       275.3838 323.4495 12.49670 320.4507 8.787818 2.998810       15.27721 
1 1 1 -3  2  23 o 256.2799 5.882903 3219.800       147.5749 3260.507       182.1348 3142.000       251.7986 257.6851 7.228143 252.5396 10.20736 5.145462       12.50745 
1 1 1 -3  2  24 o 436.1703 11.71046 9389.129       499.5090 9002.000       685.6415 9827.000       729.1929 425.3306 16.50019 444.2880 16.79788 -18.95740      23.54623 
1 1 1 -3  2  25 o 182.9604 4.562766 1640.479       81.71304 1630.386       99.80348 1661.000       142.3163 182.2496 5.601301 183.6841 7.934183 -1.434509      9.712149 
1 1 1 -3  2  26 o 119.6269 3.223536 701.4022       37.71132 700.4927       53.52667 702.2986       53.13915 119.4602 4.586149 119.6173 4.546798 -0.1571121     6.458029 
1 1 1 -3  2  27 o 154.7169 3.569907 1172.697       54.06309 1185.349       77.12480 1160.474       75.80579 155.3875 5.077564 153.7498 5.043939 1.637695       7.157023 
1 1 1 -3  2  28 o 207.3396 4.984928 2108.474       101.1690 2097.000       174.1510 2114.319       124.2930 206.1554 8.649499 207.4241 6.128547 -1.268784      10.60061 
1 1 1 -3  2  29 f 171.3591 4.420435 1440.682       74.08250 1456.073       91.29114 1411.000       126.7762 172.1651 5.423995 169.1598 7.676576 3.005310       9.399444 
1 1 1 -3  2  30 o 112.6745 3.277495 622.5278       36.10873 615.9520       50.87650 629.2024       51.25653 111.9684 4.652248 113.1698 4.636961 -1.201401      6.568471 
1 1 1 -3  2  31 o 128.1106 3.392791 804.8002       42.50754 794.2427       59.74263 815.6248       60.49388 127.1423 4.809187 128.8452 4.805058 -1.702873      6.798298 
1 1 1 -3  2  32 o 216.3907 4.508760 2297.240       95.49970 2313.990       135.5928 2280.752       134.5274 216.8198 6.395974 215.2564 6.391898 1.563339       9.042391 
1 1 1 -3  2  33 o 77.68036 3.556183 296.4291       26.96795 277.0960       37.72139 316.6415       38.56963 74.93718 5.174387 80.15665 4.939860 -5.219467      7.153775 
1 1 1 -3  2  34 o 115.4748 3.394470 654.3024       38.32602 670.7255       54.80773 638.5867       53.61432 116.7657 4.805620 113.9275 4.818679 2.838257       6.805413 
1 1 1 -3  2  35 o 160.2781 3.763479 1260.364       59.04322 1248.790       82.97976 1272.233       84.02958 159.2555 5.330697 160.7418 5.348134 -1.486313      7.551084 
1 1 1 -3  2  36 o 212.0453 5.184066 2212.881       107.5983 2247.300       132.7623 2147.000       183.6788 213.2943 6.366131 207.4924 9.065677 5.801895       11.07764 
1 1 1 -3  2  37 o 188.5900 4.140450 1748.023       76.43152 1743.282       107.8556 1752.806       108.3269 187.8448 5.873155 188.3548 5.882829 -0.5099640     8.312738 
1 1 1 -3  2  38 o 122.1182 3.969517 734.0435       47.38566 706.3000       79.16474 749.5334       59.15293 119.1228 6.817864 123.2152 4.914483 -4.092445      8.404488 
1 1 1 -3  2  39 o 76.14496 4.156689 286.3356       30.86347 270.2000       50.96739 295.6784       38.78272 73.30059 7.196259 77.19567 5.162291 -3.895081      8.856376 
1 1 1 -3  2  40 o 69.40827 4.587480 238.8245       30.99199 315.4000       57.84128 207.9870       36.70566 79.01534 7.571111 64.47686 5.880637 14.53848       9.586637 
1 1 1 -3  2  41 o 54.72358 5.348230 149.9435       28.28250 119.8000       50.13162 164.0169       34.25432 47.22829 11.04289 57.03543 6.237276 -9.807133      12.68263 
1 1 1 -3  2  42 o 51.41066 4.901777 132.1874       24.36859 155.1248       34.88721 110.3343       34.05272 55.29028 6.574930 46.14288 7.818335 9.147400       10.21548 
1 1 1 -3  2  43 o 109.2515 4.081839 590.8950       43.57377 579.6558       53.08748 614.1000       76.28094 107.8837 5.041184 110.1195 7.115026 -2.235741      8.719928 
1 1 1 -3  2  44 o 47.53664 6.173830 115.1489       28.04897 110.4619       34.36687 124.5000       48.54261 45.97815 7.922210 47.83614 10.64183 -1.857998      13.26687 
1 1 1 -3  2  45 o 48.96852 5.278243 121.0153       24.90038 146.8989       35.49678 95.93918       34.93877 53.46094 6.947556 42.44504 8.702032 11.01590       11.13525 
1 1 1 -3  2  46 o 33.41352 7.512434 59.15450       23.97167 61.73856       33.71545 56.51274       34.08976 33.79046 9.691112 32.47672 9.860069 1.313744       13.82529 
1 1 1 -3  2  47 o 36.26910 6.974527 69.22564       23.86134 98.26078       34.14360 41.50777       33.36009 42.80164 8.449764 28.62649 9.844581 14.17515       12.97360 
1 1 1 -3  2  48 o 97.21516 3.648159 469.6127       34.65316 455.9334       48.94623 483.3601       49.06792 95.00528 5.284205 97.91131 5.137846 -2.906029      7.370229 
1 1 1 -3  2  49 o 64.76376 4.293767 210.6453       27.06560 210.6883       38.32628 210.6024       38.22699 63.90171 6.205465 63.89695 6.189425 0.4768372E-02  8.764518 
1 1 1 -3  2  50 o 52.90945 4.761839 142.0079       24.39763 140.8027       34.44099 143.2218       34.56627 51.67059 6.988676 52.14112 6.945340 -0.4705315     9.852884 
1 1 1 -3  2  51 o 23.23251 8.625369 24.85803       26.12346 25.79298       31.67614 22.87000       46.19014 24.39807 9.396860 26.39020 10.93294 -1.992136      14.41632 
1 1 1 -3  2  52 o 39.24401 6.690328 81.98308       24.77876 54.42018       34.06252 112.9629       36.11217 31.02782 9.925360 45.23663 8.466742 -14.20881      13.04601 
1 1 1 -3  2  53 o 35.23774 8.016957 68.90255       27.02668 96.40000       43.83199 52.03555       34.32923 40.13688 10.88458 30.32282 9.984524 9.814051       14.77040 
1 1 1 -3  2  54 o 36.16777 7.001684 70.90876       23.89145 84.46359       33.29527 56.52144       34.30248 38.46682 9.003052 31.28035 9.955247 7.186470       13.42244 
1 1 1 -3  2  55 o 25.69382 9.681609 33.20786       33.16322 43.59000       48.83138 24.32000       45.18081 29.15790 11.53908 25.80501 10.76176 3.352896       15.77865 
1 1 1 -3  2  56 o 42.05954 6.798490 95.70028       27.03436 166.7000       47.64284 61.98281       32.83196 53.69224 9.407975 32.35816 9.643682 21.33408       13.47259 
1 1 1 -3  2  57 o 55.99181 5.458043 163.1683       29.53424 141.8086       36.70392 202.4000       49.74326 50.78347 7.618647 59.83268 8.752431 -9.049210      11.60383 
1 1 1 -3  2  58 o 29.76854 9.703357 52.01890       32.45889 90.39000       46.54443 15.69000       45.28890 37.60558 11.54179 24.41212 10.49986 13.19345       15.60321 
1 1 1 -3  2  59 o 63.08395 4.251522 202.4414       26.09911 184.3442       29.58747 265.9000       55.40488 59.68392 5.113825 68.82812 8.397522 -9.144196      9.832068 
1 1 1 -3  2  60 o 28.04004 7.640791 44.52195       21.53840 38.58996       24.31577 66.13000       46.40830 26.12192 8.388960 32.46428 11.57780 -6.342356      14.29756 
1 1 1 -3  2  61 o 15.61401 7.056257 -7.287291      23.00350 0.5428481      26.84247 -28.94000      44.63688 18.05111 7.919262 19.33987 9.111988 -1.288767      12.07241 
1 1 1 -3  2  62 o 73.35529 4.203568 274.5670       30.05616 263.9536       37.72959 293.0000       49.72235 70.92289 5.477283 73.20318 7.025437 -2.280289      8.908278 
1 1 1 -3  2  63 o 28.73322 7.287715 47.12530       20.52402 54.31008       29.18979 40.10018       28.86365 29.92739 9.131610 26.25275 9.150553 3.674639       12.92745 
1 1 1 -3  3  1  o 215.1728 4.303825 2267.097       90.64592 2329.385       130.4505 2208.942       126.0482 217.9669 6.120390 212.2555 6.073207 5.711411       8.622240 
1 1 1 -3  3  2  o 607.9423 13.08356 18172.69       778.5642 19970.00       1441.621 17432.62       925.0721 633.7150 23.28035 594.5673 15.90958 39.14771       28.19734 
1 1 1 -3  3  3  f 213.3901 4.942094 2230.073       103.2266 2014.000       167.3289 2362.829       131.1588 202.4810 8.461327 219.5258 6.109817 -17.04478      10.43666 
1 1 1 -3  3  4  o 779.9479 14.47627 29954.20       1105.169 30435.81       1582.810 29496.04       1543.809 783.4656 20.65769 771.3599 20.46511 12.10577       29.07853 
1 1 1 -3  3  5  o 118.2873 2.823410 684.9537       32.69026 721.4931       47.26861 651.4553       45.25887 121.3210 3.985846 115.2740 4.017265 6.047028       5.659098 
1 1 1 -3  3  6  o 268.4134 5.218999 3529.363       137.1190 3536.374       194.1223 3522.383       193.7094 268.4505 7.394673 267.9186 7.393617 0.5318604      10.45690 
1 1 1 -3  3  7  o 382.0508 7.221666 7158.599       270.0628 7111.952       380.0896 7206.159       383.7902 380.2698 10.22073 382.7761 10.25260 -2.506256      14.47685 
1 1 1 -3  3  8  o 128.8301 3.004821 812.6436       37.89155 835.7153       54.17983 790.5553       53.01272 130.5490 4.245567 126.9674 4.271698 3.581635       6.022644 
1 1 1 -3  3  9  o 369.1911 7.002172 6688.349       253.0406 6755.179       359.9925 6623.084       355.7521 370.4077 9.938016 366.7700 9.918508 3.637726       14.04069 
1 1 1 -3  3  10 o 266.7277 5.208883 3486.889       135.9937 3430.451       190.2433 3545.866       194.4748 264.2690 7.361739 268.6758 7.401889 -4.406860      10.43950 
1 1 1 -3  3  11 o 309.2697 5.947856 4688.832       180.0546 4630.592       252.4051 4749.177       256.9263 306.9777 8.408030 310.8801 8.451085 -3.902344      11.92123 
1 1 1 -3  3  12 o 117.1220 2.955123 671.9998       33.85114 653.4929       47.35392 691.3406       48.40901 115.4396 4.197768 118.7412 4.171515 -3.301544      5.918006 
1 1 1 -3  3  13 o 165.9792 3.600690 1348.794       58.49862 1338.137       82.42690 1359.609       83.03555 165.2126 5.103178 166.5342 5.099957 -1.321640      7.214706 
1 1 1 -3  3  14 o 122.1726 3.066565 731.1323       36.64283 724.0584       51.75551 738.2419       51.88631 121.5264 4.357963 122.7139 4.326460 -1.187538      6.140854 
1 1 1 -3  3  15 o 382.6412 8.367125 7177.053       313.3821 7043.623       378.8917 7466.000       557.5680 378.7827 10.22860 389.3608 14.65600 -10.57803      17.87240 
1 1 1 -3  3  16 o 520.7344 11.23069 13309.75       572.4385 13299.65       700.8007 13330.00       992.3159 519.9758 13.78124 519.2443 19.55911 0.7315063      23.92658 
1 1 1 -3  3  17 o 303.2860 5.864105 4505.487       174.0846 4449.257       244.1291 4563.660       248.3097 301.1492 8.289817 304.9961 8.325294 -3.846893      11.74868 
1 1 1 -3  3  18 o 309.2225 6.892617 4685.400       208.6227 4688.000       361.0197 4684.097       255.6248 308.7010 11.97045 308.9693 8.460391 -0.2683105     14.65844 
1 1 1 -3  3  19 o 554.6459 11.95995 15115.74       649.3089 14670.00       1099.879 15354.18       804.4459 543.8860 20.69780 558.2413 14.73495 -14.35529      25.40704 
1 1 1 -3  3  20 f 192.8351 4.080584 1820.850       77.02198 1797.457       108.0704 1844.998       109.8013 191.4559 5.773352 193.9725 5.789585 -2.516602      8.176239 
1 1 1 -3  3  21 o 184.7119 3.967707 1670.772       71.73656 1540.883       96.96736 1827.808       106.6199 177.2479 5.596065 193.0578 5.648221 -15.80988      7.950996 
1 1 1 -3  3  22 o 282.1716 7.843143 3910.018       216.4154 3951.000       307.8967 3870.000       304.2511 283.1630 11.13036 280.2438 11.11353 2.919189       15.72881 
1 1 1 -3  3  23 o 207.1519 4.970809 2102.745       100.7911 2091.000       174.4296 2108.633       123.4950 206.1353 8.664250 207.2888 6.093106 -1.153549      10.59222 
1 1 1 -3  3  24 o 195.7292 4.132267 1876.786       79.16809 1936.733       114.1008 1821.134       109.9364 198.6445 5.874669 192.6232 5.837519 6.021286       8.281809 
1 1 1 -3  3  25 o 248.6050 5.744005 3031.335       139.7755 3006.685       170.4185 3082.000       244.3235 247.3584 7.045740 249.9298 10.00737 -2.571472      12.23887 
1 1 1 -3  3  26 o 332.7689 7.411278 5440.891       241.4026 5368.528       293.2552 5593.000       425.1721 330.1006 9.084610 335.7942 12.95989 -5.693604      15.82684 
1 1 1 -3  3  27 o 184.4074 3.972539 1666.410       71.70554 1666.198       101.6014 1666.620       101.2136 184.1917 5.642034 184.2176 5.619658 -0.2589417E-01 7.963234 
1 1 1 -3  3  28 o 309.0453 6.003438 4689.095       181.6052 4710.879       257.7015 4667.603       255.9644 309.1535 8.524153 307.7338 8.505795 1.419708       12.04200 
1 1 1 -3  3  29 o 128.6364 3.828606 811.6816       48.15340 817.3000       82.39473 808.7672       59.34249 128.8015 6.556978 128.3285 4.732396 0.4729767      8.086379 
1 1 1 -3  3  30 o 214.9479 5.159997 2267.290       108.5648 2264.944       132.8734 2272.000       188.2971 214.5992 6.332557 214.4036 8.992295 0.1956024      10.99830 
1 1 1 -3  3  31 o 272.6963 5.409996 3651.063       144.4051 3725.035       206.8490 3580.735       201.6880 274.8923 7.695061 269.5218 7.652792 5.370514       10.85261 
1 1 1 -3  3  32 o 236.2810 4.825152 2740.074       111.5953 2826.406       160.8289 2659.916       154.9732 239.5313 6.866640 232.3736 6.820776 7.157623       9.678518 
1 1 1 -3  3  33 f 173.7830 3.903869 1481.054       66.40623 1460.190       93.18009 1502.587       94.66263 172.2913 5.532443 174.7759 5.540383 -2.484589      7.829672 
1 1 1 -3  3  34 o 178.3547 4.599381 1562.927       80.22832 1578.905       98.80183 1532.000       137.4620 179.0891 5.643285 175.8862 8.005433 3.202927       9.794571 
1 1 1 -3  3  35 o 225.0175 5.392155 2490.871       118.7640 2447.171       143.7121 2585.000       210.9185 222.6537 6.601413 227.8195 9.479109 -5.165726      11.55128 
1 1 1 -3  3  36 f 91.68773 3.432297 413.0388       30.74928 428.2930       43.65103 398.0131       43.32293 93.19705 4.801229 89.81205 4.947182 3.385002       6.893940 
1 1 1 -3  3  37 f 58.52975 4.699977 169.6620       26.70026 144.4000       43.30817 185.1513       33.91194 53.18279 8.613788 60.98958 5.748353 -7.806793      10.35572 
1 1 1 -3  3  38 o 122.9524 3.951448 744.1418       47.49363 741.9000       80.41315 745.3428       58.85574 122.0957 6.754857 122.8614 4.903889 -0.7656326     8.347228 
1 1 1 -3  3  39 o 70.24366 3.795596 243.4381       26.00023 233.7418       36.61808 253.2969       36.92358 68.52054 5.506011 71.38462 5.322679 -2.864082      7.658137 
1 1 1 -3  3  40 o 130.4262 3.553184 837.5499       45.31937 792.2294       63.03512 886.0402       65.20233 126.4424 5.103601 133.7666 4.988508 -7.324188      7.136663 
1 1 1 -3  3  41 o 70.94487 4.512035 249.7802       31.17048 240.3000       56.53510 253.9206       37.36232 68.34052 8.644579 71.32441 5.391600 -2.983887      10.18814 
1 1 1 -3  3  42 o 49.09835 5.840561 121.7903       27.51956 130.3000       49.47699 117.9784       33.11451 49.26673 10.57617 47.90345 7.292061 1.363281       12.84638 
1 1 1 -3  3  43 o 72.40862 3.938960 259.7973       27.81247 255.6673       39.51943 263.8502       39.14874 71.34995 5.706144 72.53675 5.556124 -1.186798      7.964333 
1 1 1 -3  3  44 o 68.70086 4.813146 235.6982       32.16185 254.9066       39.69631 199.0000       54.86903 71.16339 5.747717 61.36712 9.436269 9.796272       11.04896 
1 1 1 -3  3  45 o 137.7624 4.291551 942.2510       57.79910 950.1743       70.86057 926.5000       99.90987 137.8494 5.261281 134.5683 7.616158 3.281082       9.256723 
1 1 1 -3  3  46 o 66.59792 4.324451 221.2007       28.03775 253.9343       40.00172 189.5892       39.31005 70.85834 5.818632 60.82378 6.714353 10.03455       8.884763 
1 1 1 -3  3  47 o 99.15505 3.635426 487.6829       35.22415 490.8885       49.57852 484.4155       50.05382 98.82591 5.142963 98.12659 5.230172 0.6993179      7.335173 
1 1 1 -3  3  48 o 88.03535 3.707072 385.4774       31.87288 365.2743       44.74191 406.2938       45.41576 84.92854 5.410264 89.70262 5.194659 -4.774078      7.500362 
1 1 1 -3  3  49 o 26.53751 8.121721 37.72902       23.06787 25.04374       32.60644 50.43993       32.63937 24.57981 9.515932 30.34437 9.716745 -5.764551      13.60030 
1 1 1 -3  3  50 o 39.09301 7.364271 82.11543       27.14611 70.81134       32.99427 105.8000       47.75882 35.43334 9.370864 42.33978 11.30968 -6.906433      14.68748 
1 1 1 -3  3  51 o 42.05359 5.944835 92.24011       23.78925 97.54436       33.93441 87.11419       33.35912 41.99648 8.546141 39.47742 8.851949 2.519058       12.30421 
1 1 1 -3  3  52 o 83.90186 4.414006 355.0768       36.12271 341.9000       59.28489 362.8574       45.55574 79.99274 7.665268 84.09035 5.565979 -4.097618      9.472934 
1 1 1 -3  3  53 o 27.77336 8.129765 42.71725       23.50627 44.90097       32.46032 40.30948       34.08492 28.54636 9.713764 27.60349 9.913167 0.9428654      13.87905 
1 1 1 -3  3  54 o 29.03323 8.029790 47.09310       23.58680 66.89323       33.34631 27.26810       33.36724 33.90739 9.609706 24.68525 9.606976 9.222134       13.58825 
1 1 1 -3  3  55 o 22.31625 8.594325 22.14509       26.49501 61.76000       48.11802 4.908313       31.73996 32.18211 11.74742 20.25913 8.752345 11.92298       14.64942 
1 1 1 -3  3  56 o 23.76340 8.022334 30.28457       22.13696 26.53219       31.27064 34.05415       31.34225 23.96757 9.307933 25.57918 9.456720 -1.611605      13.26903 
1 1 1 -3  3  57 o 53.63942 5.285852 149.3664       27.39247 133.0608       32.43752 189.9000       51.14303 49.65980 6.855960 57.28321 9.450486 -7.623417      11.67544 
1 1 1 -3  3  58 o 58.07551 5.428270 175.6847       30.50000 162.3736       37.37982 202.2000       52.75674 54.63476 7.162044 59.01726 9.451394 -4.382500      11.85849 
1 1 1 -3  3  59 o 40.45209 9.111287 95.65947       35.20710 100.6000       48.63520 90.22000       51.03196 39.43917 11.73328 37.07313 12.17182 2.366043       16.90630 
1 1 1 -3  3  60 o 24.56226 7.920389 33.48832       21.66023 25.99360       24.58662 59.47000       45.77777 22.73389 8.380915 31.20431 11.44733 -8.470419      14.18736 
1 1 1 -3  3  61 o 26.46855 8.351691 40.02521       24.18734 40.02521       24.18734 0.000000       0.000000 26.46855 8.351691 ?        ?        ?              ?        
1 1 1 -3  3  62 o 24.31597 7.660170 33.27634       20.35540 35.73529       28.56720 30.74027       29.01170 25.31228 9.077199 24.18410 9.067554 1.128181       12.83028 
1 1 1 -3  3  63 o 19.16489 7.879572 12.20899       23.74961 1.340998       27.66022 42.70000       46.33049 18.22365 8.015506 27.69617 11.14594 -9.472528      13.72882 
1 1 1 -3  4  1  o 256.0068 7.086881 3214.674       177.4168 3315.000       256.0328 3122.000       246.0740 259.6835 10.09189 252.0099 9.995493 7.673630       14.20409 
1 1 1 -3  4  2  o 272.0141 7.486386 3629.945       199.1391 3716.000       286.0358 3549.000       277.4127 274.8879 10.65077 268.6405 10.57054 6.247406       15.00584 
1 1 1 -3  4  3  o 707.3016 13.14037 24613.08       909.7426 24891.13       1298.225 24344.80       1275.224 709.1381 18.71944 701.3608 18.59182 7.777283       26.38320 
1 1 1 -3  4  4  o 251.2892 4.927809 3092.891       121.2088 3012.966       168.3897 3178.830       174.6096 247.8282 6.948440 254.5580 7.014381 -6.729767      9.873316 
1 1 1 -3  4  5  o 119.6203 4.106463 701.5444       48.01032 682.1000       67.05244 722.0000       68.77398 117.8410 5.831269 121.2482 5.811778 -3.407211      8.232889 
1 1 1 -3  4  6  o 263.4349 5.136520 3400.005       132.4489 3632.004       195.4836 3203.118       180.0847 272.0261 7.348379 255.4625 7.209049 16.56366       10.29413 
1 1 1 -3  4  7  o 167.5133 3.554921 1374.136       58.28884 1384.557       82.68879 1363.844       82.17930 168.0226 5.033415 166.7594 5.040397 1.263199       7.123262 
1 1 1 -3  4  8  o 273.6120 5.318353 3669.373       142.4356 3664.131       201.1642 3674.643       201.7054 273.1097 7.532208 273.5002 7.541686 -0.3905029     10.65886 
1 1 1 -3  4  9  o 240.4142 4.757013 2832.249       111.9440 2892.925       160.3990 2774.630       156.3058 242.7306 6.757622 237.7159 6.724300 5.014664       9.533188 
1 1 1 -3  4  10 o 222.1260 4.455464 2417.170       96.87207 2451.303       138.0909 2384.096       135.9302 223.4878 6.318898 220.4015 6.307280 3.086273       8.928060 
1 1 1 -3  4  11 o 23.20213 5.036615 27.40038       11.10977 29.75468       15.57419 24.96113       15.85268 24.21686 6.453765 22.44806 6.703718 1.768793       9.305425 
1 1 1 -3  4  12 o 342.4588 6.529997 5747.730       218.8908 5538.277       301.7030 5980.512       318.0611 335.8082 9.187351 348.9501 9.320301 -13.14191      13.08722 
1 1 1 -3  4  13 o 148.5862 3.360364 1080.842       48.87322 1048.045       68.01421 1115.856       70.27560 146.2154 4.758600 150.8761 4.764560 -4.660660      6.733892 
1 1 1 -3  4  14 o 470.1464 10.17427 10843.69       468.2119 10541.38       561.9501 11530.00       846.6991 463.1137 12.40782 483.2618 17.93057 -20.14813      21.80503 
1 1 1 -3  4  15 o 208.4008 4.271684 2126.447       87.13741 2043.338       120.3883 2217.897       126.2849 204.1569 6.031012 212.7036 6.071768 -8.546661      8.558006 
1 1 1 -3  4  16 o 238.1926 4.761519 2778.203       111.0146 2753.507       156.1203 2803.463       157.8914 236.9730 6.737447 239.1137 6.752783 -2.140701      9.539040 
1 1 1 -3  4  17 o 225.0261 6.457480 2482.811       142.0865 2531.000       202.4132 2436.000       199.4998 226.9941 9.128613 222.6823 9.172359 4.311737       12.94078 
1 1 1 -3  4  18 o 281.1177 6.336554 3871.782       174.3603 3740.000       294.5786 3942.848       216.3242 275.7902 10.93397 283.5019 7.802902 -7.711761      13.43268 
1 1 1 -3  4  19 o 364.9189 6.946642 6526.328       248.1290 6585.401       353.0144 6468.646       348.8376 366.1790 9.857981 362.9198 9.828936 3.259186       13.92077 
1 1 1 -3  4  20 f 127.1463 3.273904 791.9968       40.71125 767.8589       56.70206 817.6793       58.48829 125.1274 4.637589 129.1284 4.634958 -4.001022      6.556681 
1 1 1 -3  4  21 o 97.46494 3.653887 465.8069       34.79686 396.0000       58.04280 504.9720       43.47586 89.62876 6.663665 101.4446 4.388759 -11.81583      7.979075 
1 1 1 -3  4  22 f 206.9932 4.971848 2099.266       100.7350 2214.000       180.3520 2047.242       121.4445 212.1568 8.703238 204.2664 6.080767 7.890305       10.61707 
1 1 1 -3  4  23 o 257.9026 5.915941 3261.171       149.3433 3186.000       255.3932 3300.232       184.1000 254.2445 10.28368 259.2229 7.262773 -4.978455      12.58976 
1 1 1 -3  4  24 o 121.8016 3.740692 727.3673       44.54470 744.5000       78.83968 719.3334       53.98778 123.0043 6.572005 121.0736 4.563708 1.930664       8.001167 
1 1 1 -3  4  25 o 245.8521 4.924551 2962.990       118.5078 3001.831       169.1069 2925.507       166.1235 247.1558 6.997157 243.9959 6.962844 3.159927       9.871242 
1 1 1 -3  4  26 f 324.9543 6.267829 5182.856       199.3635 5090.367       278.5427 5280.002       285.4701 321.4617 8.860755 327.3859 8.916595 -5.924164      12.57055 
1 1 1 -3  4  27 o 182.4685 4.571342 1633.303       81.58228 1616.195       99.22322 1669.000       143.3317 181.4043 5.594728 184.0178 7.976438 -2.613525      9.742923 
1 1 1 -3  4  28 o 254.6340 5.877270 3183.085       146.4867 3211.492       180.3448 3128.000       251.1357 255.4673 7.219349 251.4361 10.22543 4.031204       12.51713 
1 1 1 -3  4  29 o 229.3770 4.683580 2580.392       105.1560 2585.125       148.9338 2575.687       148.4932 229.2495 6.644113 228.8316 6.636564 0.4179230      9.390858 
1 1 1 -3  4  30 o 245.3220 4.956339 2952.830       119.0156 2864.959       165.4809 3046.986       171.2966 241.2409 7.015395 248.7875 7.041271 -7.546555      9.939581 
1 1 1 -3  4  31 o 141.4150 4.085142 981.3677       56.48766 998.6334       69.87478 948.8000       95.96690 142.5585 5.015316 138.6699 7.093793 3.888550       8.687652 
1 1 1 -3  4  32 o 158.7985 3.717132 1236.275       57.77773 1234.037       81.59249 1238.526       81.82811 158.4309 5.268764 158.7183 5.274400 -0.2873993     7.455143 
1 1 1 -3  4  33 o 276.2750 6.338863 3756.169       171.4191 3824.327       212.4467 3629.000       290.1891 278.2701 7.807407 269.8589 11.00908 8.411194       13.49650 
1 1 1 -3  4  34 o 55.10487 5.033339 150.4329       26.84947 115.3512       31.94218 234.9000       49.56421 47.86644 7.026585 68.57758 7.506278 -20.71114      10.28188 
1 1 1 -3  4  35 o 217.1071 4.539533 2315.596       96.46981 2248.602       134.0915 2387.473       138.8930 213.4462 6.425417 219.9347 6.458789 -6.488480      9.110540 
1 1 1 -3  4  36 f 197.5143 4.899929 1919.373       94.73154 1824.000       158.1156 1972.777       118.3178 191.3738 8.461770 199.8779 6.054528 -8.504059      10.40475 
1 1 1 -3  4  37 o 176.5030 4.572182 1534.029       78.92525 1422.000       130.3366 1598.895       99.17631 168.9054 7.905383 179.9149 5.638598 -11.00943      9.710246 
1 1 1 -3  4  38 o 199.9929 4.315241 1969.014       84.47456 1927.509       118.2168 2012.319       120.7537 197.1963 6.132004 201.4928 6.129713 -4.296494      8.670343 
1 1 1 -3  4  39 o 106.8464 3.442443 561.7561       35.95554 521.0529       50.11421 604.9366       51.61670 102.5867 5.005838 110.6087 4.778819 -8.022018      6.920659 
1 1 1 -3  4  40 f 131.6363 3.551796 853.2577       45.72281 814.9736       63.95059 893.2935       65.39732 128.2302 5.105251 134.2986 4.983520 -6.068420      7.134357 
1 1 1 -3  4  41 o 78.75612 3.679274 306.2993       28.28464 314.8737       40.95286 298.4786       39.11166 79.47774 5.294390 77.39897 5.192599 2.078766       7.415771 
1 1 1 -3  4  42 o 72.19982 3.862845 257.9820       27.19980 257.8499       39.18988 258.1047       37.78143 71.73962 5.625933 71.83665 5.412934 -0.9703827E-01 7.807111 
1 1 1 -3  4  43 o 34.92020 8.018055 64.38536       26.82688 31.31000       47.57437 79.80589       32.48407 29.20454 11.44071 38.74992 8.769602 -9.545380      14.41512 
1 1 1 -3  4  44 o 102.1120 3.617185 515.4774       36.09668 462.6137       49.91516 573.4301       52.26253 96.16125 5.323833 107.2270 4.993147 -11.06570      7.298954 
1 1 1 -3  4  45 o 62.46848 5.143840 195.9830       31.17403 181.5816       37.76204 226.8000       55.23927 59.63115 6.578800 65.72022 8.808632 -6.089077      10.99421 
1 1 1 -3  4  46 o 95.75452 4.255834 456.2091       39.78907 450.6548       48.32534 467.9000       70.11019 94.77499 5.229517 95.31741 7.576853 -0.5424118     9.206332 
1 1 1 -3  4  47 o 89.86044 3.689470 400.9043       32.38277 383.4144       45.13071 419.4651       46.49192 87.21159 5.311980 91.27502 5.225623 -4.063423      7.451461 
1 1 1 -3  4  48 o 38.60271 6.513562 78.04668       23.73679 64.82951       33.24543 91.79104       33.90197 34.17501 9.563675 41.00970 8.714615 -6.834682      12.93864 
1 1 1 -3  4  49 o 39.18456 7.396471 82.26848       27.32939 75.50775       33.20332 96.47000       48.12294 36.74298 9.242010 40.48778 11.56724 -3.744804      14.80594 
1 1 1 -3  4  50 o 41.82944 5.818071 90.85323       23.17750 104.1670       34.16684 79.50381       31.54571 43.65979 8.298228 37.83665 8.699666 5.823135       12.02268 
1 1 1 -3  4  51 o 46.53774 6.207043 113.2716       27.57018 120.3000       48.54445 109.9252       33.49669 45.10935 11.07674 44.98486 7.895106 0.1244850      13.60246 
1 1 1 -3  4  52 o 39.14389 6.762901 81.76990       24.97537 101.1824       35.29385 62.29870       35.34723 42.56260 8.763675 32.90554 10.05033 9.657059       13.33459 
1 1 1 -3  4  53 o 79.53489 3.915536 317.6776       30.38912 313.8039       42.76612 321.6286       43.19043 77.99519 5.639870 78.97717 5.623810 -0.9819717     7.964633 
1 1 1 -3  4  54 o 16.48505 7.480790 -10.17476      26.17738 -13.29000      48.71715 -8.910190      31.03904 22.12878 10.10504 18.19345 8.211624 3.935328       13.02085 
1 1 1 -3  4  55 f 22.25592 8.550400 22.16281       26.18059 30.89844       32.29755 5.424000       44.70794 25.08176 9.530899 23.17710 10.19250 1.904665       13.95439 
1 1 1 -3  4  56 o 23.02241 7.776914 28.14785       20.80328 38.29483       23.42022 -9.797000      45.28966 26.17400 8.212651 21.50957 9.791719 4.664436       12.77988 
1 1 1 -3  4  57 f 30.59628 7.322790 52.19535       21.63798 53.40516       24.60707 48.07000       45.43934 30.62610 8.089418 29.41221 11.27347 1.213896       13.87551 
1 1 1 -3  4  58 o 47.11964 5.957099 117.5504       26.86235 131.9846       32.35527 85.53000       48.19054 49.37215 6.881861 36.40218 11.82020 12.96997       13.67762 
1 1 1 -3  4  59 o 60.76805 4.347052 188.2515       25.68610 174.9950       28.92495 237.7000       55.86442 58.12278 5.136997 64.31378 9.130404 -6.190998      10.47631 
1 1 1 -3  4  60 o 29.39494 9.855387 51.16445       33.41165 51.16445       33.41165 0.000000       0.000000 29.39494 9.855387 ?        ?        ?              ?        
1 1 1 -3  4  61 o 25.19007 7.882027 35.77108       21.58763 41.98677       24.40898 13.45000       46.25544 27.01628 8.369985 24.00076 10.46549 3.015520       13.40087 
1 1 1 -3  4  62 o 39.23100 6.956817 85.31207       25.73636 92.47012       30.39003 67.16000       48.39460 40.14591 8.014492 32.07957 11.76972 8.066338       14.23932 
1 1 1 -3  4  63 o 30.34044 6.795638 51.63629       19.67934 41.73933       27.66641 61.77199       27.99812 26.62769 8.968440 32.09714 8.697073 -5.469456      12.49288 
1 1 1 -3  5  1  f 440.7298 8.279102 9527.848       357.1593 9502.048       504.0265 9553.867       506.1794 439.4836 11.72716 440.6776 11.74531 -1.194031      16.59755 
1 1 1 -3  5  2  o 936.0838 17.39556 43321.69       1593.894 42087.04       2207.051 44667.55       2304.305 917.7343 24.59126 945.2012 24.92808 -27.46692      35.01627 
1 1 1 -3  5  3  o 719.7281 13.38278 25512.54       942.8031 25007.61       1315.546 26045.72       1351.845 710.0897 18.94413 724.6216 19.07600 -14.53198      26.88445 
1 1 1 -3  5  4  o 287.6127 7.876533 4061.068       221.5340 0.000000       0.000000 4061.068       221.5340 ?        ?        287.6127 7.876533 ?              ?        
1 1 1 -3  5  5  o 370.5276 7.027702 6733.175       254.8826 6771.906       361.9711 6695.085       358.9645 371.0690 9.974866 368.9615 9.948572 2.107483       14.08801 
1 1 1 -3  5  6  o 252.5972 4.953690 3126.417       122.4796 3184.332       175.3980 3071.301       171.1063 254.6759 7.042838 250.1168 6.995901 4.559067       9.926944 
1 1 1 -3  5  7  o 252.5168 4.954946 3124.781       122.4716 3273.187       178.4173 2992.545       168.4170 258.1750 7.066839 246.8612 6.976903 11.31375       9.930629 
1 1 1 -3  5  8  o 403.6311 7.615434 7998.786       300.8746 8063.650       427.8918 7935.351       423.1496 404.4710 10.81759 401.2469 10.78375 3.224030       15.27447 
1 1 1 -3  5  9  o 373.0522 7.069323 6828.699       258.1390 6710.018       360.5438 6953.523       369.7578 369.1894 9.986233 375.8170 10.06064 -6.627594      14.17538 
1 1 1 -3  5  10 o 140.5480 3.205638 967.2159       44.10070 974.6871       62.60719 959.8578       62.13115 140.9845 4.542698 139.9068 4.542977 1.077744       6.424543 
1 1 1 -3  5  11 o 68.98869 2.666355 233.3398       17.97147 240.1944       25.55704 226.6350       25.27628 69.93816 3.746955 67.92507 3.817048 2.013092       5.348787 
1 1 1 -3  5  12 o 418.7100 9.102824 8600.440       373.0746 8622.447       457.9233 8557.000       643.3773 418.8488 11.17938 416.3752 15.81484 2.473663       19.36718 
1 1 1 -3  5  13 o 294.3310 6.567342 4244.248       189.2047 4270.649       232.8959 4193.000       324.4805 295.0569 8.071571 292.0257 11.37346 3.031189       13.94653 
1 1 1 -3  5  14 o 130.9497 3.157339 839.4286       40.46989 804.7971       56.17567 876.7961       58.35250 128.1269 4.486136 133.7432 4.463654 -5.616287      6.328477 
1 1 1 -3  5  15 o 222.7995 4.502172 2430.566       98.18440 2368.074       136.6439 2497.271       141.1743 219.7740 6.358643 225.6921 6.396928 -5.918121      9.019591 
1 1 1 -3  5  16 o 297.9237 6.656146 4348.594       194.1038 4100.000       322.5027 4489.795       243.0562 288.7591 11.43275 302.5267 8.215596 -13.76758      14.07849 
1 1 1 -3  5  17 o 236.0277 5.462272 2728.539       126.1951 2627.000       212.3967 2783.940       156.8897 231.2333 9.403687 238.2704 6.733703 -7.037109      11.56599 
1 1 1 -3  5  18 o 700.5751 13.00780 24131.45       892.0001 23589.88       1240.494 24711.29       1283.566 690.8611 18.36043 707.0259 18.56318 -16.16486      26.10933 
1 1 1 -3  5  19 o 188.2143 4.649387 1734.855       85.65535 1790.204       106.4132 1633.000       144.3546 191.0775 5.695933 182.3057 8.109849 8.771805       9.910262 
1 1 1 -3  5  20 o 266.1250 6.070572 3470.616       158.1326 3191.000       259.9514 3634.869       199.2360 254.6462 10.45136 272.1562 7.486110 -17.51001      12.85584 
1 1 1 -3  5  21 o 294.2591 6.622943 4245.337       190.7599 4278.000       331.9563 4229.233       233.0898 294.6331 11.53275 293.4570 8.122515 1.176056       14.10601 
1 1 1 -3  5  22 o 227.6924 5.342384 2540.708       119.0666 2480.000       203.7952 2572.169       146.7102 224.4614 9.295801 228.9273 6.553962 -4.465820      11.37393 
1 1 1 -3  5  23 o 240.2982 4.826936 2829.623       113.5346 2870.221       162.0444 2790.477       159.1199 241.7637 6.854492 238.3821 6.826406 3.381622       9.673876 
1 1 1 -3  5  24 o 310.5030 6.952334 4732.788       211.3015 4578.000       358.5103 4815.178       261.5602 304.2318 12.06293 312.8378 8.549753 -8.606079      14.78555 
1 1 1 -3  5  25 o 205.2802 4.949735 2065.874       99.45697 2004.000       170.0346 2098.052       122.6214 201.6536 8.634390 206.6968 6.067316 -5.043243      10.55296 
1 1 1 -3  5  26 o 176.8958 3.856704 1533.208       66.77900 1504.433       93.53111 1563.130       95.37543 175.0437 5.465574 178.4288 5.467363 -3.385132      7.730754 
1 1 1 -3  5  27 o 252.3188 5.038120 3122.496       124.4298 3168.312       177.6829 3078.405       174.3063 253.7881 7.159823 250.1645 7.125640 3.623566       10.10138 
1 1 1 -3  5  28 o 292.5746 6.616381 4206.067       189.4800 4252.412       233.6323 4117.000       323.8854 293.7741 8.132635 288.0835 11.50911 5.690582       14.09253 
1 1 1 -3  5  29 o 172.3946 4.455392 1458.322       75.11932 1457.484       91.97794 1460.000       130.1786 172.2325 5.462758 172.0425 7.750220 0.1899872      9.481964 
1 1 1 -3  5  30 o 178.6904 3.941634 1565.237       68.94199 1592.715       98.48566 1538.832       96.54084 180.0187 5.595989 176.9465 5.580927 3.072250       7.903281 
1 1 1 -3  5  31 o 206.8237 4.370123 2098.093       88.47086 2113.263       126.0201 2083.349       124.2324 207.2467 6.219247 205.7811 6.174685 1.465607       8.763890 
1 1 1 -3  5  32 o 247.0119 7.060292 3007.444       170.5301 3124.000       246.2255 2900.000       236.4060 250.8534 10.04816 241.6898 10.01465 9.163574       14.18657 
1 1 1 -3  5  33 o 211.6594 5.165592 2200.910       107.0197 2351.183       136.4816 1961.000       172.4475 218.4548 6.389596 198.8629 8.881660 19.59187       10.94124 
1 1 1 -3  5  34 o 283.1371 5.607128 3943.567       155.3973 3931.717       219.4934 3955.476       220.0376 281.8730 7.963375 282.7257 7.958983 -0.8527222     11.25881 
1 1 1 -3  5  35 o 89.71049 3.910343 395.7678       34.25467 432.4000       57.36533 375.4676       42.70395 93.43387 6.309475 87.23724 5.022262 6.196625       8.064279 
1 1 1 -3  5  36 f 109.8605 3.828325 593.3771       41.10477 518.8000       65.90612 640.8544       52.58555 102.2403 6.621237 114.0445 4.720912 -11.80414      8.131900 
1 1 1 -3  5  37 o 121.3328 3.441328 723.4008       40.82927 718.3370       57.57759 728.5226       57.90644 120.6617 4.885138 121.5168 4.878292 -0.8551559     6.903789 
1 1 1 -3  5  38 o 118.0830 3.430498 685.6159       39.60866 675.7616       55.76081 695.6521       56.27290 116.9512 4.881733 118.6689 4.854831 -1.717667      6.884816 
1 1 1 -3  5  39 o 40.02384 5.711271 80.91486       21.74085 105.3668       31.25372 57.98915       30.26264 45.40702 7.277635 33.34264 9.045074 12.06438       11.60936 
1 1 1 -3  5  40 o 99.29298 3.450940 485.6466       33.48895 511.6389       48.29623 461.5754       46.47718 101.5982 4.870658 96.47073 4.938391 5.127487       6.936211 
1 1 1 -3  5  41 o 30.61493 7.342482 48.97877       21.71919 49.24299       31.47688 48.73866       30.00697 30.89186 9.493398 30.66985 9.237860 0.2220078      13.24623 
1 1 1 -3  5  42 o 55.85114 4.502910 155.4095       24.40829 131.3930       34.43345 179.6649       34.60425 50.62267 7.147778 59.69110 6.004089 -9.068428      9.334870 
1 1 1 -3  5  43 o 56.26553 4.626896 158.0656       25.25733 120.7611       34.75170 199.8344       36.77242 48.27212 7.606328 62.90105 6.046939 -14.62893      9.717083 
1 1 1 -3  5  44 o 66.99860 4.876293 224.4032       31.75985 245.0000       56.37385 214.8261       38.44094 68.58418 8.584998 65.16126 6.097786 3.422913       10.53020 
1 1 1 -3  5  45 o 55.83387 5.601503 157.6573       30.20012 175.3000       53.52065 149.4157       36.58004 57.08898 9.938599 53.81406 7.118972 3.274921       12.22520 
1 1 1 -3  5  46 o 88.13393 3.688034 385.1202       31.74559 351.5010       43.63925 422.9083       46.26589 83.59058 5.361792 91.80341 5.169566 -8.212837      7.448035 
1 1 1 -3  5  47 o 89.50220 4.246725 399.7226       37.09826 403.6814       45.24424 391.6000       64.80864 89.52699 5.185199 86.70979 7.716389 2.817192       9.296717 
1 1 1 -3  5  48 o 22.07405 8.495363 19.26344       25.87614 42.02466       32.53495 -19.92000      42.68779 28.41730 9.723704 20.60226 9.427299 7.815041       13.54343 
1 1 1 -3  5  49 o 47.93750 5.224004 117.4311       24.11624 129.8834       34.40628 105.4048       33.81250 49.49592 7.322355 44.11248 8.130340 5.383438       10.94163 
1 1 1 -3  5  50 o 51.58477 5.517911 136.8171       27.42909 169.5000       48.56857 121.5116       33.23682 55.25335 9.310955 47.71426 7.352296 7.539093       11.86382 
1 1 1 -3  5  51 o 65.05007 4.346448 213.4054       27.51627 200.6210       39.25952 225.7494       38.57721 61.90263 6.580018 66.03000 6.035415 -4.127365      8.928766 
1 1 1 -3  5  52 o 61.30914 4.620898 190.7122       27.52640 206.3084       38.77102 174.8605       39.08733 62.79498 6.397001 57.33382 7.117747 5.461166       9.569950 
1 1 1 -3  5  53 o 57.04790 5.568022 168.3911       30.69656 192.2672       38.97792 129.4000       49.81048 60.27534 6.720721 46.35251 11.12102 13.92282       12.99404 
1 1 1 -3  5  54 o 60.16963 5.254584 186.5704       30.63706 157.5569       37.84984 241.7000       52.17421 53.99003 7.353069 66.29587 8.215821 -12.30584      11.02576 
1 1 1 -3  5  55 f 39.36541 5.896178 81.97546       22.02077 80.56965       24.91160 87.00000       47.09626 38.53688 6.855448 37.13700 11.64520 1.399879       13.51325 
1 1 1 -3  5  56 o 27.18493 7.688476 41.42377       21.36816 32.76328       24.08948 73.39000       46.28091 24.61180 8.368169 34.25355 11.59945 -9.641747      14.30292 
1 1 1 -3  5  57 o 59.68883 4.294189 181.3325       24.92115 183.9138       28.52127 173.0000       51.24311 59.76084 4.919321 54.00377 10.06423 5.757069       11.20216 
1 1 1 -3  5  58 o 16.97534 7.222242 4.094002       21.00792 -8.353113      23.84334 47.29000       44.41753 15.80899 7.160257 29.11687 11.14957 -13.30788      13.25074 
1 1 1 -3  5  59 o 69.07997 5.502788 248.7077       36.90108 248.7077       36.90108 0.000000       0.000000 69.07997 5.502788 ?        ?        ?              ?        
1 1 1 -3  5  60 o 35.66451 8.840795 74.59299       30.70720 61.91000       39.81165 93.22000       48.24705 31.69958 10.75803 37.70929 11.78103 -6.009710      15.95393 
1 1 1 -3  5  61 o 25.86792 9.741341 35.99696       33.56245 34.18000       48.10694 37.72000       46.84708 26.98885 11.16705 27.38770 11.14038 -0.3988495     15.77375 
1 1 1 -3  5  62 o 27.34875 7.500244 42.78837       20.67671 49.59169       23.11939 15.60000       46.21760 29.25503 7.892909 24.01956 10.46765 5.235474       13.10991 
1 1 1 -3  5  63 o 22.10052 8.081782 25.66333       22.78903 31.95775       26.35734 7.023000       45.35766 24.03528 8.706020 22.64401 10.09557 1.391264       13.33099 
1 1 1 -3  6  1  o 272.0711 5.290782 3626.855       140.8992 3577.162       197.6792 3678.171       200.8826 269.9453 7.488568 273.7311 7.504500 -3.785828      10.60171 
1 1 1 -3  6  2  o 451.1228 9.797758 9999.843       432.6411 10680.00       783.1675 9701.113       519.0263 463.9655 17.27515 443.7440 11.96043 20.22159       21.01149 
1 1 1 -3  6  3  o 386.1851 7.306358 7316.176       276.1867 7272.483       389.5186 7360.352       391.6642 384.4386 10.36075 386.7569 10.35525 -2.318268      14.64842 
1 1 1 -3  6  4  o 211.0840 4.254060 2182.543       87.89522 2126.937       122.4190 2241.708       126.2760 208.2015 6.013313 213.7471 6.041575 -5.545563      8.524117 
1 1 1 -3  6  5  o 339.1088 9.185022 5656.716       304.5968 5528.000       423.9910 5794.000       437.8742 334.3795 12.97885 342.3112 13.09252 -7.931702      18.43542 
1 1 1 -3  6  6  o 100.7128 3.777476 497.4982       37.17256 492.7000       50.44413 503.2000       54.98933 100.1301 5.164277 101.1605 5.574984 -1.030426      7.599355 
1 1 1 -3  6  7  o 206.0829 4.181332 2080.518       84.34566 2096.566       119.9339 2064.814       118.6421 206.6923 5.934190 205.1216 5.915277 1.570663       8.378849 
1 1 1 -3  6  8  o 119.4804 2.900466 698.9653       33.92115 710.6033       48.24321 687.5855       47.70483 120.3756 4.100399 118.4063 4.122344 1.969246       5.814378 
1 1 1 -3  6  9  o 168.1258 3.599680 1384.187       59.23856 1528.315       88.60339 1267.685       79.66034 176.5353 5.133033 160.7700 5.068434 15.76526       7.213671 
1 1 1 -3  6  10 o 165.0774 3.554779 1334.289       57.43893 1339.535       81.39623 1329.084       81.06658 165.2870 5.036935 164.6404 5.036283 0.6466064      7.122841 
1 1 1 -3  6  11 o 285.3244 6.378744 3989.078       178.1477 4034.850       220.0423 3902.000       303.5024 286.7621 7.846692 281.6453 11.03047 5.116882       13.53668 
1 1 1 -3  6  12 o 429.9005 9.333179 9064.639       392.7387 9012.109       479.2826 9172.000       685.1945 428.2693 11.44347 431.1920 16.26357 -2.922760      19.88610 
1 1 1 -3  6  13 o 327.3419 6.265271 5248.921       200.7464 5180.508       281.3000 5319.920       286.5699 324.9363 8.852585 329.2783 8.899377 -4.341949      12.55258 
1 1 1 -3  6  14 o 232.4324 4.654440 2645.359       105.8938 2629.968       149.2290 2660.969       150.2894 231.6043 6.589342 232.9659 6.597319 -1.361603      9.324379 
1 1 1 -3  6  15 o 555.3514 11.95650 15145.38       649.9473 14910.00       1112.158 15267.47       800.9561 548.7821 20.74162 556.9127 14.70603 -8.130615      25.42601 
1 1 1 -3  6  16 o 133.3704 3.713350 871.5245       48.42936 818.4000       79.53197 902.8312       61.05378 129.0962 6.313076 135.7069 4.602920 -6.610703      7.812925 
1 1 1 -3  6  17 o 430.8693 8.111474 9101.650       342.0988 8951.732       478.0545 9258.999       489.7593 426.7869 11.45389 434.0417 11.53800 -7.254791      16.25783 
1 1 1 -3  6  18 o 234.3725 6.691028 2693.994       153.3420 2468.000       203.6321 2990.000       233.0492 224.0927 9.303749 246.6538 9.671550 -22.56111      13.42008 
1 1 1 -3  6  19 o 334.1842 7.412579 5475.415       242.4719 5301.000       411.1506 5568.423       300.2401 327.9931 12.83124 336.7355 9.117451 -8.742371      15.74067 
1 1 1 -3  6  20 f 211.1395 5.047357 2183.903       104.3133 2104.000       177.2002 2226.277       129.0415 206.8558 8.771569 213.0365 6.194851 -6.180664      10.73856 
1 1 1 -3  6  21 o 333.8995 7.412514 5469.487       242.2633 5231.000       407.5193 5599.838       301.2819 325.5201 12.81485 337.5249 9.127667 -12.00485      15.73324 
1 1 1 -3  6  22 o 297.2972 5.777707 4332.959       168.1328 4222.747       233.7416 4451.122       242.0262 293.1367 8.154208 300.9546 8.223608 -7.817902      11.58097 
1 1 1 -3  6  23 o 300.9865 5.844145 4442.500       172.1766 4278.140       237.4395 4624.764       250.0377 294.9667 8.231874 306.6740 8.337299 -11.70734      11.71641 
1 1 1 -3  6  24 o 153.6147 3.549219 1155.845       53.36686 1149.715       75.37634 1162.007       75.56831 153.0603 5.038003 153.8784 5.023870 -0.8180847     7.114826 
1 1 1 -3  6  25 o 241.1873 4.850661 2851.780       114.5148 2836.884       161.4180 2866.873       162.4840 240.2561 6.870962 241.5224 6.880020 -1.266235      9.723414 
1 1 1 -3  6  26 o 397.3507 8.733784 7774.010       339.6899 7548.000       576.8936 7893.960       420.2731 388.8937 15.18427 399.6443 10.75342 -10.75064      18.60640 
1 1 1 -3  6  27 o 152.0501 4.133811 1133.995       61.46679 1182.000       109.7917 1112.080       74.18197 154.8860 7.262100 150.4910 5.043077 4.395020       8.841421 
1 1 1 -3  6  28 o 184.4774 3.993979 1668.056       72.11990 1694.840       102.8914 1642.187       101.1177 185.7268 5.666389 182.8175 5.657519 2.909317       8.007215 
1 1 1 -3  6  29 o 167.9404 4.384015 1383.927       72.00487 1401.316       88.55554 1350.000       123.6945 168.8846 5.363774 165.4262 7.659853 3.458389       9.351118 
1 1 1 -3  6  30 o 244.3163 5.708959 2931.551       136.5261 2925.376       166.9840 2944.000       237.1120 243.7452 7.006217 243.7721 9.958148 -0.2687073E-01 12.17587 
1 1 1 -3  6  31 o 116.5218 3.842857 666.3748       43.76966 647.4606       53.37679 705.2000       76.47426 114.7668 4.761835 119.5566 6.559989 -4.789726      8.106080 
1 1 1 -3  6  32 o 125.6488 3.934564 774.9728       48.33098 807.2856       60.37077 717.3000       80.65378 128.1498 4.821450 120.5036 6.866248 7.646187       8.389978 
1 1 1 -3  6  33 o 186.9623 4.707768 1717.465       86.08543 1730.000       147.6673 1711.012       105.9520 186.9329 8.089499 186.4191 5.813582 0.5137939      9.961814 
1 1 1 -3  6  34 o 185.6512 4.705081 1694.252       85.43208 1674.000       144.4202 1705.154       105.9601 183.7645 8.048496 186.0312 5.826207 -2.266739      9.935944 
1 1 1 -3  6  35 o 131.0172 3.507762 842.7751       44.94422 814.1951       62.75657 872.8685       64.39661 128.5641 4.996440 133.1303 4.950360 -4.566193      7.033525 
1 1 1 -3  6  36 o 195.8379 4.227448 1885.016       81.03660 1865.288       113.7793 1905.326       115.4450 194.3062 5.989484 196.3751 6.013042 -2.068954      8.487084 
1 1 1 -3  6  37 f 92.28339 3.412653 418.7531       30.77323 408.7254       43.05923 429.2218       43.99572 90.95193 4.854271 93.21353 4.838541 -2.261597      6.853863 
1 1 1 -3  6  38 o 98.32144 3.398042 475.5435       32.65351 456.5752       45.30624 496.0473       47.10432 96.08656 4.832653 100.1667 4.818443 -4.080147      6.824363 
1 1 1 -3  6  39 o 174.3611 3.970880 1497.277       67.77081 1453.246       94.40175 1544.102       97.35109 171.1440 5.642953 176.4174 5.644853 -5.273392      7.981684 
1 1 1 -3  6  40 o 34.55454 6.619671 61.51023       21.57481 36.94706       30.73116 85.38309       30.29627 27.78478 9.451550 40.53714 7.919484 -12.75235      12.33086 
1 1 1 -3  6  41 o 25.56590 7.730459 33.35302       20.98395 35.23682       30.34786 31.62732       29.04646 27.22911 9.388589 26.14606 9.174808 1.083054       13.12717 
1 1 1 -3  6  42 o 104.5821 3.474441 539.6698       35.51773 517.8142       49.33652 563.1828       51.17310 102.0119 4.955787 106.4068 4.926591 -4.394844      6.987927 
1 1 1 -3  6  43 o 24.96731 8.019073 31.29159       22.21833 -13.01979      31.14467 77.21395       31.70577 18.33542 8.255092 38.09492 8.695052 -19.75950      11.98960 
1 1 1 -3  6  44 o 81.99973 3.759627 333.0142       30.09583 354.2682       42.73506 312.1010       42.39087 84.12986 5.215169 78.83543 5.528491 5.294426       7.600145 
1 1 1 -3  6  45 o 26.54953 8.815660 35.41514       26.74491 -10.96000      47.29275 57.21976       32.42845 23.12466 10.30935 32.64961 9.546500 -9.524956      14.05056 
1 1 1 -3  6  46 o 44.32220 6.841982 102.0510       28.72861 111.8000       49.98550 97.24213       35.10609 44.53054 11.41548 42.53061 8.725713 1.999935       14.36841 
1 1 1 -3  6  47 o 43.91963 6.688954 100.5086       27.84888 102.1179       34.68732 97.59000       46.71262 43.54859 8.442307 41.37451 11.24342 2.174084       14.06012 
1 1 1 -3  6  48 o 37.37053 7.854677 75.45586       27.81792 50.40728       34.01960 126.0000       48.32514 30.46996 9.934029 46.97976 10.74314 -16.50980      14.63215 
1 1 1 -3  6  49 o 84.88376 5.196703 365.6882       42.97068 343.6000       60.09314 388.8000       61.46968 80.57512 7.713409 86.01939 7.371597 -5.444275      10.66945 
1 1 1 -3  6  50 o 50.85188 5.004201 131.9179       24.58617 138.2449       35.68012 126.1976       33.92632 50.91995 7.372973 48.62297 7.358163 2.296986       10.41649 
1 1 1 -3  6  51 f 71.72179 4.092052 258.4498       28.60833 272.0368       40.73648 245.2277       40.18572 72.67519 5.773953 68.82931 6.025453 3.845886       8.345334 
1 1 1 -3  6  52 o 26.92698 8.875515 39.42589       27.12416 30.33759       34.45398 54.24000       43.98816 25.58854 9.814400 31.18055 11.25341 -5.592005      14.93190 
1 1 1 -3  6  53 o 56.17501 5.527497 163.3051       30.00005 184.2287       38.32538 130.2000       48.20773 58.93019 6.766834 46.72818 10.76193 12.20201       12.71256 
1 1 1 -3  6  54 o 42.17510 5.511416 92.82280       22.20848 100.8598       25.51349 67.69000       45.11736 43.67844 6.136559 33.47150 11.45068 10.20694       12.99136 
1 1 1 -3  6  55 o 38.94913 5.971590 80.44984       22.04142 79.77124       24.97513 82.84000       46.87193 38.30206 6.916061 36.26655 11.64720 2.035503       13.54582 
1 1 1 -3  6  56 o 68.35016 3.978159 236.0757       26.50005 227.2991       30.13666 266.0000       55.64737 66.68391 4.646146 69.02448 8.409747 -2.340569      9.607836 
1 1 1 -3  6  57 o 42.00296 5.638011 92.91119       22.59506 103.1493       25.83504 59.60000       46.60088 43.99755 6.168139 31.46294 11.54854 12.53461       13.09254 
1 1 1 -3  6  58 o 58.95603 5.006238 179.4985       28.61696 179.4985       28.61696 0.000000       0.000000 58.95603 5.006238 ?        ?        ?              ?        
1 1 1 -3  6  59 o 45.06316 5.386104 106.2889       23.28768 86.11237       26.03303 187.1000       52.09995 39.66195 6.959396 56.29930 9.810676 -16.63735      12.02841 
1 1 1 -3  6  60 o 59.99658 4.914495 185.9300       28.60831 186.8759       33.71956 183.5000       54.04670 59.50150 5.865794 54.98347 10.42361 4.518028       11.96073 
1 1 1 -3  6  61 o 35.30361 8.525114 72.86839       29.12390 104.1000       35.81083 11.86000       50.05091 42.05177 8.973600 24.34953 10.74322 17.70224       13.99794 
1 1 1 -3  6  62 o 31.64613 7.034667 56.35618       21.22606 45.66510       23.79464 98.01000       46.96733 27.95226 8.178746 38.16589 11.57067 -10.21362      14.16941 
1 1 1 -3  7  1  o 227.7955 4.544518 2542.326       101.3302 2550.989       143.7144 2533.761       142.8943 227.9693 6.446948 227.1992 6.431899 0.7701111      9.106727 
1 1 1 -3  7  2  f 454.5197 8.541985 10149.41       380.0299 10099.49       535.8132 10199.94       539.0886 452.3719 12.11163 454.6133 12.12550 -2.241486      17.13824 
1 1 1 -3  7  3  f 147.2598 3.265643 1061.922       47.07162 1066.162       66.83195 1057.748       66.30977 147.4382 4.636691 146.8559 4.618706 0.5823059      6.544566 
1 1 1 -3  7  4  o 280.7343 5.442746 3863.459       149.5615 3820.502       209.9909 3907.683       213.0664 278.8362 7.701250 281.9984 7.726299 -3.162170      10.90894 
1 1 1 -3  7  5  o 165.3169 5.004931 1340.604       80.89491 0.000000       0.000000 1340.604       80.89491 ?        ?        165.3169 5.004931 ?              ?        
1 1 1 -3  7  6  o 188.1194 4.519186 1733.848       83.21471 1839.636       105.3114 1558.000       135.7769 193.6404 5.561906 177.9648 7.813493 15.67552       9.590906 
1 1 1 -3  7  7  o 218.5069 4.397089 2338.888       94.04520 2338.835       133.4311 2338.941       132.5730 218.3121 6.250581 218.3209 6.210050 -0.8712769E-02 8.811044 
1 1 1 -3  7  8  o 229.1950 4.573179 2573.164       102.5958 2629.212       147.3954 2520.487       142.8940 231.4825 6.511656 226.6476 6.447601 4.834839       9.163691 
1 1 1 -3  7  9  o 446.0167 8.378235 9759.902       365.7715 9932.957       524.4183 9595.961       510.4235 449.2302 11.93679 441.5629 11.82014 7.667297       16.79889 
1 1 1 -3  7  10 o 722.8671 15.53688 25753.21       1099.331 25489.87       1338.117 26300.00       1928.192 717.6532 19.06594 724.8112 27.22651 -7.158020      33.23842 
1 1 1 -3  7  11 o 148.0453 3.831471 1073.779       55.47550 1087.385       69.04574 1049.000       93.17998 148.9402 4.742118 146.1799 6.528689 2.760376       8.069168 
1 1 1 -3  7  12 o 378.6944 7.169522 7026.968       265.7574 6852.312       369.2375 7214.695       382.8048 373.6048 10.10616 383.3515 10.21083 -9.746643      14.36647 
1 1 1 -3  7  13 o 169.4929 3.666059 1406.412       60.82150 1401.329       85.91373 1411.519       86.11579 169.0804 5.197314 169.6949 5.190612 -0.6145325     7.345375 
1 1 1 -3  7  14 o 236.7053 5.444257 2744.069       126.1400 2766.000       218.0776 2733.043       154.6325 237.3000 9.407378 236.0923 6.698103 1.207626       11.54831 
1 1 1 -3  7  15 o 156.1694 3.517277 1193.988       53.76612 1243.844       77.51273 1147.756       74.64205 159.2948 4.977355 153.0113 4.990397 6.283432       7.048271 
1 1 1 -3  7  16 o 109.2862 3.054251 585.1278       32.64001 626.2336       46.83941 546.3236       45.50922 113.0118 4.241826 105.5354 4.415250 7.476372       6.122705 
1 1 1 -3  7  17 o 295.8565 8.150606 4295.035       235.8106 0.000000       0.000000 4295.035       235.8106 ?        ?        295.8565 8.150606 ?              ?        
1 1 1 -3  7  18 o 501.0893 9.385299 12321.84       460.3301 11865.01       632.7234 12835.56       670.9689 490.8979 13.17982 510.5346 13.43844 -19.63675      18.82284 
1 1 1 -3  7  19 o 232.9136 4.696952 2657.085       107.0822 2565.613       147.9740 2757.651       155.1553 228.6862 6.617536 237.0910 6.692370 -8.404816      9.411673 
1 1 1 -3  7  20 o 432.0907 9.426428 9170.765       398.6835 9033.000       682.5667 9242.104       491.1797 426.9733 16.36224 433.2129 11.59374 -6.239594      20.05337 
1 1 1 -3  7  21 o 313.5830 6.061924 4820.912       186.0670 4515.301       251.8086 5188.460       276.1495 303.1119 8.495519 324.9076 8.690971 -21.79572      12.15347 
1 1 1 -3  7  22 o 95.42210 3.052474 446.3101       28.47398 424.9698       39.73108 468.8448       40.82789 93.03320 4.375267 97.73433 4.278160 -4.701126      6.119282 
1 1 1 -3  7  23 o 246.7847 4.928669 2985.139       119.0568 2876.137       164.4246 3105.274       172.6174 241.9591 6.949744 251.4105 7.021348 -9.451401      9.879184 
1 1 1 -3  7  24 o 211.4441 4.364512 2190.952       90.33113 2109.670       124.7530 2280.534       130.9686 207.2608 6.156148 215.4905 6.215653 -8.229645      8.748286 
1 1 1 -3  7  25 o 202.4931 4.232190 2009.448       83.88448 1978.886       117.4781 2041.238       119.8176 200.7250 5.985974 203.8625 6.011069 -3.137512      8.483209 
1 1 1 -3  7  26 o 176.5637 3.866705 1527.630       66.82652 1500.711       93.39761 1555.868       95.65681 174.8083 5.465140 177.9913 5.497077 -3.183014      7.751491 
1 1 1 -3  7  27 o 150.3144 4.130634 1108.335       60.71716 1185.000       110.1239 1074.851       72.77861 155.0662 7.275638 147.9419 5.033143 7.124268       8.846888 
1 1 1 -3  7  28 o 179.6880 4.578250 1584.417       80.45833 1567.000       140.1115 1592.985       98.27768 178.2019 8.053399 180.0574 5.582936 -1.855576      9.799307 
1 1 1 -3  7  29 o 259.2338 5.179563 3298.029       131.4289 3346.726       187.9434 3251.425       183.8610 260.6708 7.373352 256.9418 7.317978 3.728973       10.38841 
1 1 1 -3  7  30 o 175.5026 4.524671 1511.879       77.66305 1593.057       98.02367 1375.000       127.2859 180.0217 5.569583 166.8705 7.814526 13.15117       9.596202 
1 1 1 -3  7  31 o 152.1737 5.185658 1138.417       77.12849 1138.417       77.12849 0.000000       0.000000 152.1737 5.185658 ?        ?        ?              ?        
1 1 1 -3  7  32 o 218.1876 6.426346 2344.881       137.0967 2470.000       198.1565 2230.000       189.8764 223.2321 9.087708 212.0673 9.168929 11.16478       12.90952 
1 1 1 -3  7  33 o 182.5888 4.633850 1638.122       82.75063 1693.000       143.6618 1610.873       101.2311 184.9182 7.955598 180.8743 5.725034 4.043823       9.801406 
1 1 1 -3  7  34 o 158.6509 4.284391 1236.805       66.47221 1188.000       110.2609 1264.671       83.31474 154.8975 7.292758 160.2571 5.318638 -5.359558      9.026196 
1 1 1 -3  7  35 o 102.5557 3.901615 517.1625       39.09468 515.4752       47.30062 520.8000       69.45046 102.2749 4.737760 102.3970 6.970742 -0.1220627     8.428382 
1 1 1 -3  7  36 o 109.3188 3.350661 587.0779       35.81117 540.9307       48.97218 640.1152       52.50105 104.7218 4.790248 113.9497 4.717249 -9.227913      6.723014 
1 1 1 -3  7  37 o 118.4371 3.408305 689.4915       39.47121 660.3594       54.78805 720.9283       56.91407 115.6488 4.850696 120.8512 4.820974 -5.202446      6.838936 
1 1 1 -3  7  38 o 145.1178 3.611516 1035.476       51.29991 1013.412       71.85478 1058.415       73.26379 143.1342 5.137014 146.2854 5.124522 -3.151199      7.256007 
1 1 1 -3  7  39 o 107.2634 3.430399 566.4053       35.97026 545.5116       50.34494 588.1932       51.41109 104.9405 4.914902 108.9987 4.830691 -4.058296      6.891432 
1 1 1 -3  7  40 o 30.62800 7.384510 48.94829       21.87847 31.85425       31.82386 64.26847       30.12745 26.72349 9.580954 34.92322 8.814240 -8.199730      13.01866 
1 1 1 -3  7  41 o 99.79041 3.510067 491.2445       34.23210 460.5341       48.17401 522.5680       48.65253 96.18175 5.135602 102.5600 4.860252 -6.378212      7.070817 
1 1 1 -3  7  42 o 63.58427 4.164424 200.7872       25.77592 181.9652       36.15316 220.2461       36.75971 59.96437 6.251204 66.19162 5.730033 -6.227253      8.480025 
1 1 1 -3  7  43 o 88.17582 3.630691 384.5084       31.26907 338.5685       42.83181 436.9330       45.75508 82.22504 5.350833 93.57453 5.013765 -11.34949      7.332752 
1 1 1 -3  7  44 o 80.93802 3.745741 324.5198       29.59492 320.0821       41.77309 328.9919       41.93446 79.87583 5.374153 81.00484 5.318174 -1.129005      7.560721 
1 1 1 -3  7  45 o 153.6927 3.812403 1169.416       57.35329 1162.503       80.85725 1176.416       81.36472 152.2540 5.434268 153.1624 5.435843 -0.9083862     7.686328 
1 1 1 -3  7  46 o 25.97982 8.691384 34.06773       25.98698 39.16891       32.17735 24.50000       44.06762 27.96707 9.666341 26.99557 10.86812 0.9715061      14.54490 
1 1 1 -3  7  47 o 38.91757 7.410959 80.51402       27.20025 60.89000       48.80052 89.35819       32.76112 33.70995 11.88702 40.59252 8.517407 -6.882568      14.62352 
1 1 1 -3  7  48 o 35.30962 9.430372 69.82140       33.20867 0.000000       0.000000 69.82140       33.20867 ?        ?        35.30962 9.430372 ?              ?        
1 1 1 -3  7  49 o 26.37070 7.967266 37.43682       22.29572 39.40272       31.95195 35.57122       31.12608 27.54791 9.625947 26.56785 9.481043 0.9800549      13.51107 
1 1 1 -3  7  50 o 73.94073 4.555636 276.0399       32.81143 259.6273       40.79706 306.1000       55.21227 70.95332 5.928350 75.93900 7.526805 -4.985680      9.581134 
1 1 1 -3  7  51 o 28.12330 8.634889 43.57164       26.04845 62.46761       33.22910 13.45000       41.95400 33.07122 9.661913 24.16756 10.24116 8.903664       14.07956 
1 1 1 -3  7  52 f 27.11067 8.808689 40.24880       26.76065 47.37197       34.11227 28.85000       43.15228 29.21397 9.957561 26.56377 10.73322 2.650194       14.64087 
1 1 1 -3  7  53 o 22.22861 7.763918 24.92139       20.78476 45.39656       23.88320 -38.99000      42.19568 28.51252 8.149881 18.28291 8.686275 10.22961       11.91100 
1 1 1 -3  7  54 o 36.35703 6.294522 70.69128       21.58966 72.51151       24.77163 64.94000       44.03263 36.38099 7.211148 32.85159 11.30973 3.529400       13.41308 
1 1 1 -3  7  55 o 52.12980 4.587586 139.0763       23.17010 143.1015       26.59557 126.4000       47.19683 52.54131 5.241179 45.50814 10.76500 7.033176       11.97310 
1 1 1 -3  7  56 o 17.45330 7.227763 7.423698       20.17674 -0.4040257     22.82290 35.43000       43.16990 16.77316 7.331854 27.13357 10.81337 -10.36041      13.06465 
1 1 1 -3  7  57 o 28.86469 8.149324 47.49833       24.02801 47.49833       24.02801 0.000000       0.000000 28.86469 8.149324 ?        ?        ?              ?        
1 1 1 -3  7  58 o 20.90798 7.632236 21.29091       20.31098 12.00483       22.64789 59.45000       45.91034 19.10635 7.755476 31.35611 11.47023 -12.24976      13.84607 
1 1 1 -3  7  59 o 20.31252 8.020473 16.60731       23.54298 39.91237       26.82080 -61.64000      49.14522 26.54305 8.828597 18.08150 8.786179 8.461542       12.45556 
1 1 1 -3  7  60 o 45.31786 5.201146 107.2259       22.65376 119.9340       25.39074 57.63000       50.16009 47.76594 5.532841 30.93231 11.84750 16.83363       13.07576 
1 1 1 -3  7  61 o 21.47624 7.723306 23.63562       20.69726 23.18793       23.02498 25.52000       47.23843 21.68276 8.088464 25.60127 10.85864 -3.918514      13.54006 
1 1 1 -3  7  62 o 16.83002 7.498256 -2.687154      24.97628 -2.687154      24.97628 0.000000       0.000000 16.83002 7.498256 ?        ?        ?              ?        
1 1 1 -3  8  1  o 237.7856 4.721540 2770.593       109.8944 2825.436       157.4970 2718.557       153.4117 239.8861 6.714109 235.3069 6.667385 4.579163       9.462203 
1 1 1 -3  8  2  o 365.1737 6.937383 6543.332       247.9713 6459.553       347.3053 6630.452       354.1640 362.2316 9.804341 366.9814 9.868441 -4.749817      13.91083 
1 1 1 -3  8  3  o 424.2672 11.35792 8876.028       471.2523 8931.000       669.3541 8822.000       663.5862 423.9617 16.15916 421.3790 16.11832 2.582733       22.82365 
1 1 1 -3  8  4  o 426.7592 9.308260 8952.752       388.8281 9999.000       726.7341 8533.128       460.2443 448.5754 16.57989 416.0514 11.31197 32.52405       20.07121 
1 1 1 -3  8  5  o 267.7914 6.053983 3515.789       158.6880 3654.177       199.4386 3277.000       261.9797 272.7852 7.476388 257.8957 10.39942 14.88956       12.80798 
1 1 1 -3  8  6  o 326.7326 6.252897 5233.495       199.9770 5197.979       281.6469 5269.603       283.9880 325.2281 8.855538 327.4608 8.868177 -2.232758      12.53256 
1 1 1 -3  8  7  o 201.3541 4.121668 1985.514       81.23436 1896.944       111.4792 2085.791       118.6183 196.6657 5.797401 206.2247 5.882321 -9.559021      8.259029 
1 1 1 -3  8  8  o 192.5786 3.974727 1815.986       74.92412 1863.968       107.6798 1770.954       104.3176 194.9744 5.648178 190.0454 5.613975 4.929001       7.963581 
1 1 1 -3  8  9  o 281.0608 6.298101 3870.376       173.2671 4039.268       218.7496 3586.000       283.8501 286.9387 7.795689 270.0423 10.76023 16.89636       13.28741 
1 1 1 -3  8  10 o 198.0253 4.685203 1920.222       90.81451 1959.295       113.0120 1849.000       152.5800 199.9183 5.781254 194.0500 8.050486 5.868347       9.911267 
1 1 1 -3  8  11 o 170.3516 3.666525 1420.703       61.13741 1434.545       87.04721 1407.226       85.88718 171.0736 5.204404 169.4363 5.184740 1.637299       7.346247 
1 1 1 -3  8  12 o 410.0461 8.920452 8243.917       358.0352 8436.000       629.1414 8151.913       435.4185 413.7384 15.56292 407.4204 10.92824 6.317932       19.01660 
1 1 1 -3  8  13 o 226.3599 5.236125 2509.319       116.0154 2512.000       199.3224 2507.946       142.6734 226.1583 9.022145 226.1684 6.451324 -0.1014709E-01 11.09138 
1 1 1 -3  8  14 o 285.2497 5.546626 3985.234       154.8675 3916.793       216.5828 4056.838       221.5325 282.5754 7.837960 287.5833 7.877287 -5.007935      11.11239 
1 1 1 -3  8  15 o 105.8719 3.582684 549.3857       37.07399 548.3006       44.10207 552.0000       68.45358 105.7344 4.270027 105.9350 6.634940 -0.2005539     7.890219 
1 1 1 -3  8  16 o 337.2730 7.466915 5575.740       246.5068 5392.000       418.2324 5673.548       305.1431 330.9152 12.93696 339.9629 9.178322 -9.047699      15.86211 
1 1 1 -3  8  17 o 324.5312 6.240683 5160.518       198.2416 5325.859       286.2162 5008.058       274.8415 329.3740 8.885781 319.3980 8.799497 9.975952       12.50553 
1 1 1 -3  8  18 o 139.3743 4.727077 952.5079       64.39507 844.6000       82.86739 1117.000       102.3127 131.1149 6.476966 150.7908 6.950534 -19.67587      9.500580 
1 1 1 -3  8  19 o 544.3190 14.47995 14630.16       770.7986 13560.00       1032.064 15980.00       1159.111 521.8074 20.24488 566.1783 20.95151 -44.37085      29.13453 
1 1 1 -3  8  20 o 148.6752 4.039515 1083.404       58.73151 1046.000       101.4773 1102.244       72.01952 145.8543 7.129535 149.9109 4.914713 -4.056595      8.659369 
1 1 1 -3  8  21 o 239.8228 5.569286 2819.340       130.7363 2732.000       222.8155 2865.196       161.4486 235.5043 9.686529 241.5723 6.834673 -6.067963      11.85502 
1 1 1 -3  8  22 o 373.8942 8.234539 6869.085       301.3660 6521.000       504.2100 7062.552       375.8991 362.6028 14.23372 378.5994 10.15260 -15.99664      17.48354 
1 1 1 -3  8  23 o 240.2893 4.824612 2830.167       113.4758 2725.103       156.7570 2945.839       164.4793 235.5107 6.807160 244.8623 6.869301 -9.351624      9.670818 
1 1 1 -3  8  24 o 177.3650 3.853002 1541.258       66.89187 1495.704       92.95389 1590.186       96.33548 174.5470 5.447296 179.9779 5.474774 -5.430923      7.723094 
1 1 1 -3  8  25 o 209.0692 4.334691 2142.409       88.70627 2125.970       124.9020 2159.139       126.0044 208.0201 6.140924 209.6371 6.147249 -1.617035      8.689052 
1 1 1 -3  8  26 o 359.7606 6.886763 6360.315       242.5129 6213.012       337.2734 6517.999       348.9549 354.7225 9.722925 363.2981 9.821969 -8.575592      13.82050 
1 1 1 -3  8  27 o 267.5986 5.300611 3513.837       138.8405 3498.985       195.7680 3528.867       196.9374 266.5775 7.510087 267.7115 7.522906 -1.134033      10.62994 
1 1 1 -3  8  28 o 299.5374 6.773616 4411.211       198.5993 4273.000       337.9424 4484.125       245.4574 293.2276 11.79830 301.5409 8.324140 -8.313263      14.43922 
1 1 1 -3  8  29 o 131.8145 4.875137 853.6558       62.79243 817.9000       89.84361 887.8000       87.79561 128.7298 7.158395 134.2010 6.704844 -5.471207      9.808035 
1 1 1 -3  8  30 o 295.3385 6.711358 4291.317       194.0156 4367.000       341.3818 4255.210       235.7979 296.0946 11.80252 293.6003 8.213045 2.494324       14.37893 
1 1 1 -3  8  31 o 230.8678 4.740450 2616.106       107.1246 2613.824       151.4398 2618.392       151.5544 230.3354 6.724162 230.5370 6.723355 -0.2015228     9.508830 
1 1 1 -3  8  32 o 113.3886 4.615345 632.2084       51.11767 632.3000       69.43574 632.1000       75.53088 113.1691 6.293070 113.0594 6.857388 0.1097488      9.307336 
1 1 1 -3  8  33 o 184.2196 4.698667 1668.008       84.65684 1652.151       103.0115 1701.000       148.5864 183.1469 5.753325 185.2296 8.215696 -2.082657      10.02988 
1 1 1 -3  8  34 o 135.0777 3.513846 895.6888       46.41985 878.3394       64.74616 914.0392       66.58773 133.5614 4.961150 136.2456 5.001534 -2.684219      7.044739 
1 1 1 -3  8  35 o 152.0440 4.213423 1136.835       62.64576 1271.000       111.6217 1075.143       75.69041 160.0701 7.142122 147.6624 5.245117 12.40767       8.861217 
1 1 1 -3  8  36 o 209.1291 5.108830 2155.563       104.5785 2143.154       127.5602 2181.000       182.6385 208.0662 6.270517 208.6659 8.962900 -0.5997162     10.93860 
1 1 1 -3  8  37 o 126.0380 4.005801 782.2748       49.35659 750.6512       59.25907 853.9000       89.18294 123.2677 4.921225 130.8813 6.986742 -7.613602      8.545936 
1 1 1 -3  8  38 o 42.81002 5.245870 91.93797       21.52325 92.32455       30.23525 91.54080       30.64584 42.37651 7.566910 42.15720 7.710716 0.2193108      10.80339 
1 1 1 -3  8  39 o 101.9022 3.399290 511.3283       33.85865 504.0765       47.91573 518.5607       47.85106 100.8535 4.868165 102.3153 4.791294 -1.461723      6.830485 
1 1 1 -3  8  40 o 117.3468 3.471185 678.6926       39.82700 655.7741       55.92257 702.2811       56.73398 114.9194 4.983345 118.9657 4.882467 -4.046211      6.976547 
1 1 1 -3  8  41 o 83.60493 3.589523 345.2141       29.30637 333.6022       41.73935 356.5046       41.15770 81.76501 5.242838 84.61029 4.991783 -2.845284      7.239147 
1 1 1 -3  8  42 o 45.56874 5.424565 104.8793       23.72130 88.29848       33.36605 121.8248       33.73089 40.83506 8.618829 48.59367 7.318456 -7.758610      11.30681 
1 1 1 -3  8  43 o 31.97890 7.309520 53.81757       22.37958 53.74855       31.05108 53.89218       32.28392 31.83401 9.350786 31.90978 9.575332 -0.7577133E-01 13.38373 
1 1 1 -3  8  44 o 41.54363 5.876084 88.20566       23.22829 106.7430       32.73244 69.40016       32.96836 45.17209 7.677380 35.85248 9.312194 9.319614       12.06893 
1 1 1 -3  8  45 o 53.06528 5.459793 142.5213       27.95492 142.0781       35.01806 143.3000       46.41672 52.44139 6.996396 51.57209 9.546546 0.8693008      11.83580 
1 1 1 -3  8  46 o 34.77448 7.066407 63.92320       23.23164 82.96236       33.14075 45.52792       32.57554 39.07169 8.869093 29.48726 9.726928 9.584429       13.16336 
1 1 1 -3  8  47 o 59.16883 5.132573 177.3684       29.43211 129.3000       48.89529 204.6818       36.85740 47.78851 10.71775 63.19806 6.031259 -15.40955      12.29822 
1 1 1 -3  8  48 o 39.45609 7.255817 83.13009       26.99018 95.82000       50.61586 78.08823       31.90454 40.19504 11.97266 37.54396 8.830658 2.651081       14.87700 
1 1 1 -3  8  49 o 30.45360 8.315692 51.14579       25.48060 61.42000       47.72011 47.04821       30.13636 33.15360 11.74883 29.28269 9.332460 3.870911       15.00433 
1 1 1 -3  8  50 f 34.43364 6.887401 63.64164       22.40227 33.10377       25.94939 153.0000       44.38900 25.27805 8.682928 52.58461 8.943975 -27.30656      12.46547 
1 1 1 -3  8  51 o 32.76151 8.269785 59.79110       26.51786 59.53712       33.46047 60.22000       43.48224 32.27593 9.762255 32.45427 11.23585 -0.1783447     14.88442 
1 1 1 -3  8  52 o 31.71998 8.414660 56.54148       26.55241 62.31730       33.31903 46.49000       43.95422 32.85335 9.695851 29.66017 11.15251 3.193174       14.77796 
1 1 1 -3  8  53 o 30.69229 7.094409 51.58861       20.88651 45.16885       23.93292 72.10000       42.77934 28.42684 8.168846 34.60061 11.12853 -6.173773      13.80486 
1 1 1 -3  8  54 o 45.42816 5.070831 106.7384       22.16406 95.98465       25.30248 142.2000       45.94764 42.46070 6.276853 49.24588 9.876061 -6.785179      11.70194 
1 1 1 -3  8  55 o 31.17588 7.051953 53.68533       21.01429 58.04993       24.00892 39.39000       43.45078 32.12619 7.729344 27.80673 10.92154 4.319468       13.37994 
1 1 1 -3  8  56 o 42.54702 6.090940 96.19469       24.64367 96.19469       24.64367 0.000000       0.000000 42.54702 6.090940 ?        ?        ?              ?        
1 1 1 -3  8  57 o 24.64320 7.556601 33.63128       19.95708 36.68624       22.23136 20.95000       45.29441 25.61796 7.996100 25.10127 10.63913 0.5166912      13.30897 
1 1 1 -3  8  58 o 30.59457 7.765683 53.05788       23.29206 31.92095       26.63790 121.7000       48.00366 24.49928 8.767719 44.00419 11.13699 -19.50491      14.17411 
1 1 1 -3  8  59 o 30.91237 7.157275 53.37344       21.22895 41.28411       23.35331 110.9000       50.94267 26.90774 8.159253 41.00033 11.95881 -14.09259      14.47711 
1 1 1 -3  8  60 f 34.49295 6.462659 64.82342       21.01808 65.56837       23.42727 61.75000       47.58453 34.29473 7.208208 31.54623 11.65410 2.748501       13.70315 
1 1 1 -3  8  61 o 38.05823 6.031080 78.05159       21.71903 68.73617       24.31650 114.8000       48.29689 34.92197 7.346850 41.76670 11.46633 -6.844738      13.61811 
1 1 1 -3  8  62 o 25.58859 8.197667 37.92546       23.22970 47.22129       26.80112 9.852000       46.57544 28.11264 8.780264 23.21691 10.29758 4.895729       13.53267 
1 1 1 -3  9  1  o 240.2434 4.766229 2827.651       112.0812 2739.000       219.5661 2858.892       130.3425 235.8945 9.528751 241.5250 5.513376 -5.630447      11.00883 
1 1 1 -3  9  2  o 440.4108 8.284826 9521.577       357.1474 9937.922       520.5413 9151.261       490.9244 449.0723 11.85257 430.9704 11.64821 18.10184       16.61819 
1 1 1 -3  9  3  o 121.9072 4.180747 728.7214       49.81341 761.1000       72.85761 700.3000       68.26049 124.4673 5.997824 119.3913 5.858939 5.075981       8.384572 
1 1 1 -3  9  4  o 451.0446 9.798079 9993.811       432.5802 10740.00       787.2322 9671.045       517.7519 465.4405 17.30971 443.1427 11.94726 22.29776       21.03243 
1 1 1 -3  9  5  o 402.2050 7.601336 7933.422       299.2566 7703.666       414.6100 8183.289       432.3741 395.7963 10.71177 407.9169 10.83844 -12.12061      15.23856 
1 1 1 -3  9  6  o 205.9031 4.198488 2076.084       84.61787 2067.750       119.3953 2084.496       119.9421 205.3459 5.946379 206.1762 5.949510 -0.8303375     8.411664 
1 1 1 -3  9  7  o 291.6011 5.644203 4165.299       161.1009 4399.431       236.0403 3961.126       220.4228 299.4364 8.060659 284.1295 7.933401 15.30695       11.30987 
1 1 1 -3  9  8  o 263.7569 7.275902 3411.900       187.6643 3370.000       263.5447 3455.000       267.2898 261.8540 10.30237 265.1390 10.31888 -3.284973      14.58143 
1 1 1 -3  9  9  o 234.9073 4.690542 2702.063       107.8514 2879.831       158.7478 2549.672       146.9808 242.3537 6.698361 228.0343 6.591896 14.31946       9.397933 
1 1 1 -3  9  10 o 456.0090 8.555413 10194.20       381.8745 10337.96       546.0253 10056.55       534.2706 458.6591 12.17309 452.3837 12.07638 6.275330       17.14709 
1 1 1 -3  9  11 o 204.6441 4.833293 2050.734       96.81631 2384.000       181.9455 1919.097       114.3494 220.3633 8.450873 197.8526 5.911168 22.51071       10.31306 
1 1 1 -3  9  12 o 242.6392 5.547898 2883.475       131.7637 3004.000       232.5520 2826.487       159.9085 247.2905 9.625799 240.0887 6.811344 7.201752       11.79196 
1 1 1 -3  9  13 o 172.9712 3.728293 1464.781       63.12335 1468.923       89.31402 1460.648       89.22585 173.1055 5.277277 172.6163 5.287069 0.4892578      7.470124 
1 1 1 -3  9  14 o 274.3095 6.213576 3686.295       166.8356 3701.981       204.4165 3655.000       288.7265 274.7195 7.609197 272.6524 10.84021 2.067078       13.24424 
1 1 1 -3  9  15 o 346.7192 7.657374 5892.903       259.8747 5997.000       456.6292 5843.035       316.0502 348.9394 13.39414 344.9855 9.368093 3.953857       16.34515 
1 1 1 -3  9  16 o 171.6059 3.737344 1441.851       62.77715 1377.136       86.31146 1514.538       91.47386 167.5939 5.267974 175.7605 5.323168 -8.166611      7.489171 
1 1 1 -3  9  17 o 120.3324 3.731778 709.6746       43.90150 798.2000       81.68674 673.7200       52.05894 127.4480 6.570232 117.1998 4.546603 10.24825       7.989965 
1 1 1 -3  9  18 o 314.4979 7.018343 4849.884       216.0521 4866.410       264.8363 4817.000       373.5721 314.7677 8.603768 312.5950 12.23279 2.172668       14.95546 
1 1 1 -3  9  19 o 112.4291 3.094724 619.3602       34.02465 548.7947       45.50728 708.8137       51.23692 105.7567 4.405741 120.2163 4.361481 -14.45958      6.199441 
1 1 1 -3  9  20 o 202.7417 5.969201 2016.977       118.3293 1840.000       160.4513 2228.000       175.2064 193.3673 8.497982 212.8249 8.427153 -19.45752      11.96798 
1 1 1 -3  9  21 o 283.5729 6.416212 3944.710       178.0941 3796.000       301.4578 4024.440       220.7317 277.3123 11.12843 286.1470 7.888309 -8.834625      13.64065 
1 1 1 -3  9  22 o 294.1295 5.733318 4242.917       165.0635 3860.474       218.9015 4746.981       251.3097 280.1718 7.990279 310.6505 8.272135 -30.47870      11.50099 
1 1 1 -3  9  23 o 283.7995 5.554012 3950.334       154.2853 3812.944       213.0168 4101.939       223.7646 278.4178 7.824228 288.7657 7.924104 -10.34787      11.13598 
1 1 1 -3  9  24 o 257.2333 5.108755 3244.830       128.6318 3193.918       180.0385 3297.919       183.8471 254.8539 7.224474 258.9672 7.259967 -4.113266      10.24208 
1 1 1 -3  9  25 o 121.5257 3.220904 723.9278       38.27974 702.1082       53.39083 747.0090       54.91271 119.5825 4.569753 123.3536 4.555770 -3.771042      6.452726 
1 1 1 -3  9  26 o 329.3394 6.357197 5327.927       204.9348 5347.821       290.8610 5308.314       288.7932 329.2181 9.034544 328.0081 9.003410 1.210022       12.75478 
1 1 1 -3  9  27 o 211.6267 4.406910 2196.005       91.28743 2279.676       132.3189 2120.008       126.1050 215.3213 6.284833 207.6487 6.211339 7.672623       8.836281 
1 1 1 -3  9  28 o 122.6472 3.800231 737.9944       45.56691 784.9034       57.67793 660.1000       74.32496 126.4119 4.669413 115.6919 6.590614 10.72005       8.077104 
1 1 1 -3  9  29 o 53.15478 4.319858 139.4761       22.28237 159.7332       31.63124 119.5216       31.39416 56.73423 5.776409 48.84013 6.747016 7.894096       8.881955 
1 1 1 -3  9  30 o 309.9247 7.015005 4729.508       212.8092 4343.000       349.9881 4956.233       268.0551 294.9827 12.14733 316.6529 8.656492 -21.67026      14.91618 
1 1 1 -3  9  31 o 134.5891 4.971026 890.6681       65.37553 0.000000       0.000000 890.6681       65.37553 ?        ?        134.5891 4.971026 ?              ?        
1 1 1 -3  9  32 o 131.8247 3.470447 852.6500       44.74151 849.8403       62.73840 855.5578       63.82366 131.4441 4.884748 131.8769 4.953126 -0.4327393     6.956596 
1 1 1 -3  9  33 o 86.81802 3.491596 370.2714       29.61101 373.4410       41.06828 366.8395       42.73395 87.04066 4.839396 86.23337 5.085384 0.8072891      7.020035 
1 1 1 -3  9  34 o 192.0661 4.838414 1815.291       90.88959 1820.952       111.3665 1804.000       157.2843 192.1039 5.929699 190.4071 8.460223 1.696838       10.33135 
1 1 1 -3  9  35 o 118.1154 3.883973 686.0321       44.84333 700.8151       55.02608 656.8000       77.37804 119.2486 4.723557 114.9795 6.907139 4.269119       8.367829 
1 1 1 -3  9  36 o 87.53542 3.832546 377.3298       32.75847 353.5000       52.93828 392.1171       41.70160 84.23591 6.469994 89.08396 4.800139 -4.848053      8.056188 
1 1 1 -3  9  37 o 28.85947 7.971058 42.93935       23.26036 43.85039       28.34299 41.06000       40.70790 29.44049 9.001129 30.34538 10.84109 -0.9048977     14.09076 
1 1 1 -3  9  38 o 48.68478 4.736491 118.1221       22.28628 111.3741       31.06422 125.2789       31.99136 46.76044 7.002120 49.71237 6.748598 -2.951927      9.724878 
1 1 1 -3  9  39 o 83.07787 3.523148 340.3400       28.58481 342.4758       40.84760 338.2903       40.01530 83.01274 5.050982 82.52032 4.977170 0.4924240      7.091166 
1 1 1 -3  9  40 o 163.8187 3.845550 1323.844       61.66351 1313.862       87.29501 1333.786       87.11600 162.4454 5.497967 163.7008 5.444345 -1.255386      7.737476 
1 1 1 -3  9  41 o 55.78989 4.517419 155.1326       24.45819 180.4100       35.09506 131.2620       34.10443 59.77784 6.082532 50.60163 7.078998 9.176216       9.333242 
1 1 1 -3  9  42 o 122.1444 3.504160 736.5971       41.85186 714.6106       58.53362 759.5942       59.86372 119.7641 5.004151 123.5002 4.962210 -3.736046      7.047344 
1 1 1 -3  9  43 o 113.4109 4.004514 637.3370       44.38423 675.0811       55.93982 573.2000       72.92075 116.3618 4.922510 106.1717 7.056807 10.19015       8.604048 
1 1 1 -3  9  44 o 41.98410 6.686729 91.20867       26.55840 91.13667       33.52523 91.33000       43.51890 41.32101 8.570204 40.66854 10.76532 0.6524696      13.76011 
1 1 1 -3  9  45 o 80.38336 3.747577 320.6830       29.40532 304.0509       41.28365 337.8104       41.89388 77.66067 5.465795 81.96819 5.249132 -4.307518      7.578146 
1 1 1 -3  9  46 o 46.65436 6.025376 111.9202       26.87392 83.72000       44.20847 128.4490       33.84537 38.47544 11.11650 49.55793 7.186615 -11.08249      13.23722 
1 1 1 -3  9  47 o 56.54065 4.564800 161.0763       25.04862 190.3385       36.34487 134.6023       34.56995 60.79434 6.194069 50.58592 7.183465 10.20842       9.485182 
1 1 1 -3  9  48 o 52.76424 5.441502 142.5520       27.70117 148.7666       34.30196 130.9000       46.96909 53.31705 6.721828 47.96821 10.31053 5.348843       12.30812 
1 1 1 -3  9  49 o 79.70831 3.634295 317.0511       28.28042 302.6927       32.57417 361.0000       56.98939 77.57738 4.306652 82.90280 7.090957 -5.325424      8.296320 
1 1 1 -3  9  50 o 44.89296 8.042853 109.9946       34.04420 142.1000       53.22161 87.76000       44.29087 48.88705 11.34198 38.41402 11.13526 10.47303       15.89448 
1 1 1 -3  9  51 o 36.39308 7.259367 71.84692       24.95255 51.92860       29.97519 116.8000       45.03137 30.34230 9.252746 44.63393 10.48640 -14.29162      13.98491 
1 1 1 -3  9  52 f 36.05044 6.157749 68.95042       20.94929 47.60286       23.56235 149.5000       45.76950 29.22407 8.003304 51.22498 9.477242 -22.00091      12.40447 
1 1 1 -3  9  53 o 44.49294 6.533978 105.4987       27.60889 98.38082       33.99084 119.3000       47.33089 41.74873 8.604114 44.34535 10.96622 -2.596619      13.93875 
1 1 1 -3  9  54 o 47.71280 6.021834 120.2151       27.49833 112.6807       34.24136 133.9000       46.14747 44.91916 8.085044 47.37402 10.25007 -2.454861      13.05495 
1 1 1 -3  9  55 f 43.05291 5.924932 98.11357       24.30705 98.11357       24.30705 0.000000       0.000000 43.05291 5.924932 ?        ?        ?              ?        
1 1 1 -3  9  56 o 28.31414 7.168892 44.63556       19.88470 51.45805       22.22562 17.27000       44.51277 30.26923 7.531881 24.50143 10.47121 5.767801       12.89866 
1 1 1 -3  9  57 o 13.21941 6.205985 -17.56274      20.38031 -23.03077      23.10152 1.632000       43.28292 13.63618 6.463629 22.23322 9.890322 -8.597036      11.81512 
1 1 1 -3  9  58 o 41.66758 5.515846 91.34145       21.94455 93.72464       24.51467 81.73000       49.23117 41.86635 6.166614 35.46484 11.96360 6.401512       13.45938 
1 1 1 -3  9  59 o 25.43071 7.644200 36.35288       20.56209 55.39889       23.00831 -39.20000      45.82561 31.27875 7.592505 18.81061 8.969422 12.46814       11.75145 
1 1 1 -3  9  60 o 36.08276 6.247094 70.50890       21.26534 70.05682       23.81168 72.29000       47.26361 35.48906 7.102795 33.37280 11.70400 2.116264       13.69063 
1 1 1 -3  9  61 o 19.32141 7.409654 16.61347       19.63667 23.90905       21.75064 -15.54000      45.66212 21.62968 7.897723 20.56721 9.532473 1.062475       12.37910 
1 1 1 -3  9  62 o 20.57965 7.515917 21.43575       19.70001 25.42749       21.84070 4.015000       45.62668 21.96248 7.929163 22.40444 10.04712 -0.4419594     12.79908 
1 1 1 -3  10 1  o 517.8841 9.673586 13165.90       490.3727 13260.00       985.2217 13134.91       565.3799 516.9985 19.50374 517.0146 11.17201 -0.1611328E-01 22.47687 
1 1 1 -3  10 2  o 444.7602 8.355006 9702.406       363.7298 9959.000       740.5849 9620.835       417.5612 448.7812 16.88922 442.7267 9.635587 6.054474       19.44454 
1 1 1 -3  10 3  o 131.3001 3.606059 844.7005       46.30123 913.1000       84.11411 814.9654       55.45965 136.3631 6.318997 128.9296 4.401040 7.433472       7.700576 
1 1 1 -3  10 4  o 478.7099 12.72681 11275.00       595.8167 11270.00       842.5359 11280.00       842.6883 477.3306 18.06539 477.5440 18.06054 -0.2133789     25.54489 
1 1 1 -3  10 5  o 371.2679 8.142714 6757.975       295.9122 7055.000       526.5378 6620.855       357.7535 378.3904 14.24160 367.1875 9.963028 11.20294       17.38060 
1 1 1 -3  10 6  o 333.1470 7.363524 5439.194       240.1197 5159.434       283.7449 6145.000       450.6896 324.2393 8.948943 353.3546 13.05292 -29.11533      15.82600 
1 1 1 -3  10 7  o 690.1498 14.83513 23432.65       1002.169 23812.92       1244.141 22730.00       1691.194 694.5482 18.31640 675.7996 25.61275 18.74854       31.48814 
1 1 1 -3  10 8  o 463.4478 8.696068 10530.21       394.4845 10442.61       555.5729 10619.29       560.2269 460.9472 12.32462 464.8332 12.32378 -3.885986      17.42905 
1 1 1 -3  10 9  o 515.4518 9.639494 13031.18       486.3495 12842.97       682.9751 13224.81       692.7329 510.9830 13.66729 518.5301 13.66042 -7.547058      19.32361 
1 1 1 -3  10 10 o 161.7161 4.062044 1281.223       64.24807 1218.000       106.6761 1317.209       80.48203 157.5146 6.935956 163.9296 5.021667 -6.414932      8.562980 
1 1 1 -3  10 11 o 431.9400 9.392646 9150.616       397.1162 10470.00       755.8223 8647.508       466.7291 460.6548 16.79056 419.5365 11.37601 41.11832       20.28143 
1 1 1 -3  10 12 o 114.6800 3.627606 644.5088       40.66938 655.0165       48.88918 620.9000       73.28180 115.5799 4.329050 112.3734 6.692653 3.206490       7.970714 
1 1 1 -3  10 13 o 193.0603 4.722933 1825.222       89.25058 1806.000       156.8592 1834.425       108.5314 191.7390 8.378048 193.4346 5.738462 -1.695618      10.15488 
1 1 1 -3  10 14 o 239.6443 4.788165 2812.460       112.3162 2726.226       155.6549 2906.129       162.2269 235.7715 6.751697 243.4280 6.815125 -7.656494      9.593297 
1 1 1 -3  10 15 o 178.0344 3.825356 1551.935       66.66254 1513.169       92.64427 1593.556       95.99511 175.6763 5.394039 180.2835 5.446095 -4.607208      7.665221 
1 1 1 -3  10 16 o 83.76323 4.325965 344.5149       35.34832 0.000000       0.000000 344.5149       35.34832 ?        ?        83.76323 4.325965 ?              ?        
1 1 1 -3  10 17 o 358.4332 6.834790 6298.910       239.7947 6016.230       328.7292 6620.392       350.5650 349.8643 9.608240 366.9980 9.767535 -17.13367      13.70121 
1 1 1 -3  10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  10 19 o 221.3689 6.460038 2405.225       139.8277 2552.000       204.3497 2276.000       191.7442 227.7015 9.187441 215.0230 9.131050 12.67847       12.95319 
1 1 1 -3  10 20 o 259.1260 5.941635 3292.646       150.7034 3015.000       247.6847 3455.855       189.9001 247.2754 10.25548 265.2365 7.321520 -17.96118      12.60077 
1 1 1 -3  10 21 o 210.7608 4.335285 2176.532       89.43628 2119.493       124.2558 2237.849       128.8324 207.7710 6.116434 213.4921 6.171531 -5.721085      8.688991 
1 1 1 -3  10 22 o 258.2448 5.934571 3271.809       150.0124 3118.000       252.8493 3355.356       186.3530 251.2862 10.30170 261.2598 7.294286 -9.973602      12.62266 
1 1 1 -3  10 23 o 248.6725 4.960847 3031.964       120.7507 2931.247       166.9925 3142.333       174.8103 244.1887 6.993793 252.8228 7.070847 -8.634109      9.945351 
1 1 1 -3  10 24 o 229.0184 4.646801 2571.507       104.1671 2495.894       144.3336 2653.706       150.4882 225.3350 6.550793 232.3442 6.623809 -7.009232      9.315993 
1 1 1 -3  10 25 o 206.2830 4.292562 2085.990       86.67347 2035.262       120.5896 2140.202       124.6614 203.5052 6.060552 208.6833 6.109502 -5.178101      8.605597 
1 1 1 -3  10 26 o 274.9024 5.421120 3708.904       145.8726 3674.211       204.8203 3744.615       207.8020 273.1271 7.668884 275.7248 7.707153 -2.597656      10.87253 
1 1 1 -3  10 27 o 235.6498 5.501319 2726.062       126.8937 2808.334       158.6561 2580.000       211.3972 238.8935 6.791838 228.3752 9.477393 10.51833       11.65976 
1 1 1 -3  10 28 o 387.8718 7.400178 7406.357       280.9549 7485.216       400.3283 7329.816       394.3986 388.6276 10.53361 384.5909 10.48662 4.036774       14.86359 
1 1 1 -3  10 29 o 414.1513 9.149220 8477.396       370.8936 7800.000       608.0526 8878.763       468.0488 393.1547 15.83291 422.5994 11.32525 -29.44473      19.46644 
1 1 1 -3  10 30 o 150.4265 4.152308 1110.765       61.08075 1235.000       108.1733 1052.614       74.00802 158.1991 7.003055 146.3105 5.175850 11.88858       8.708169 
1 1 1 -3  10 31 o 269.0345 5.357229 3557.105       141.0764 3651.853       202.9094 3468.447       196.2801 271.9102 7.631328 265.0069 7.574581 6.903320       10.75228 
1 1 1 -3  10 32 o 228.6617 5.465330 2571.518       122.3252 2671.000       218.7411 2526.251       147.5546 231.6492 9.668282 226.2741 6.669386 5.375076       11.74548 
1 1 1 -3  10 33 o 156.2439 4.321768 1199.909       66.03183 1166.000       115.0016 1216.586       80.65174 153.3073 7.688171 157.1671 5.249957 -3.859818      9.309673 
1 1 1 -3  10 34 f 197.7465 4.238197 1921.547       82.03445 1925.053       116.0699 1918.048       115.9586 197.4344 6.013083 197.0730 6.018373 0.3614044      8.507525 
1 1 1 -3  10 35 o 84.46144 3.944333 351.3320       32.51900 362.1190       39.48790 328.6000       57.32341 85.63535 4.729273 81.05341 7.303533 4.581940       8.701013 
1 1 1 -3  10 36 o 194.8344 4.905268 1873.189       93.47360 1826.926       112.7275 1975.000       167.2299 192.0197 6.004988 198.3754 8.632985 -6.355743      10.51610 
1 1 1 -3  10 37 o 122.3908 3.859483 737.8897       46.17861 630.5000       73.47845 807.9943       59.36790 112.3769 6.710568 127.8683 4.751585 -15.49145      8.222486 
1 1 1 -3  10 38 o 80.78360 3.909179 322.2069       30.81938 340.7497       39.20181 292.2000       49.86894 82.88838 4.853001 76.25084 6.751275 6.637543       8.314525 
1 1 1 -3  10 39 o 141.0863 3.560083 980.9649       49.12519 939.8901       68.72089 1023.890       70.25141 137.5951 5.111345 143.6619 5.003462 -6.066864      7.152655 
1 1 1 -3  10 40 o 165.8988 3.869789 1358.231       62.84008 1271.365       86.28438 1456.346       91.70135 159.7296 5.527078 170.9898 5.486075 -11.26024      7.787529 
1 1 1 -3  10 41 o 57.39044 4.322992 163.9522       24.10603 148.8712       34.08971 179.0355       34.09243 54.06826 6.576416 59.56341 5.926057 -5.495152      8.852535 
1 1 1 -3  10 42 o 32.53149 7.767340 55.95042       24.39072 57.94699       30.51797 52.42000       40.58137 32.95793 9.140781 32.11436 10.86183 0.8435745      14.19624 
1 1 1 -3  10 43 o 62.26846 4.718368 193.8820       28.54445 203.4952       35.46495 176.2000       48.09837 63.47513 5.771101 57.86676 8.765905 5.608372       10.49508 
1 1 1 -3  10 44 o 32.05708 7.063988 54.18257       21.56680 62.80791       31.35165 46.43462       29.71430 34.08955 9.188800 29.70201 9.240272 4.387545       13.03137 
1 1 1 -3  10 45 o 77.94245 4.259486 303.0582       32.37305 292.0000       54.13638 309.2137       40.39042 75.05614 7.467771 78.33069 5.299124 -3.274551      9.156873 
1 1 1 -3  10 46 o 92.93603 4.177140 431.1713       37.90163 391.3464       45.41216 522.6000       68.80759 88.00617 5.296233 100.5806 7.033342 -12.57438      8.804430 
1 1 1 -3  10 47 o 23.32010 7.842053 27.50856       21.15366 39.05951       24.08845 -11.42000      44.22158 26.98824 8.306826 21.82535 9.830600 5.162893       12.87028 
1 1 1 -3  10 48 o 35.82670 6.312117 67.64454       21.32707 68.32305       24.62788 65.61000       42.64632 35.61631 7.309519 33.91179 11.12655 1.704525       13.31274 
1 1 1 -3  10 49 o 48.93365 7.487370 128.2753       34.72405 115.5000       52.81823 138.0000       46.08248 43.64875 11.99423 49.30433 9.893039 -5.655582      15.54779 
1 1 1 -3  10 50 o 28.26731 7.266762 43.57959       20.21623 49.69696       23.16145 24.01000       41.42611 30.02963 7.807967 25.66003 10.46163 4.369600       13.05412 
1 1 1 -3  10 51 o 29.44015 7.266590 47.51102       20.81132 47.26990       23.74494 48.31000       43.22296 29.15315 8.054237 29.95019 11.09939 -0.7970409     13.71376 
1 1 1 -3  10 52 o 33.95985 7.366961 63.34220       23.78265 41.74295       27.61298 125.4000       46.80499 27.44546 8.950014 45.88335 10.63018 -18.43789      13.89617 
1 1 1 -3  10 53 o 37.65238 6.677889 76.42718       23.71035 94.60619       27.89730 29.13000       44.99814 41.76432 7.076591 26.56114 10.87498 15.20319       12.97472 
1 1 1 -3  10 54 o 31.96025 7.324762 56.70847       22.42298 56.70847       22.42298 0.000000       0.000000 31.96025 7.324762 ?        ?        ?              ?        
1 1 1 -3  10 55 o 18.29676 7.811330 4.890322       24.72435 8.453174       30.17705 -2.385000      43.12251 20.36350 8.659614 21.82438 9.778751 -1.460875      13.06189 
1 1 1 -3  10 56 o 24.56842 9.235767 30.51953       30.14011 49.62000       42.25713 10.74000       43.00174 29.41470 10.96060 23.33053 10.13291 6.084166       14.92685 
1 1 1 -3  10 57 o 40.73181 5.488237 87.26448       21.32500 86.09866       23.90914 91.80000       47.15875 40.02491 6.311660 37.70441 11.62597 2.320499       13.22876 
1 1 1 -3  10 58 o 77.73080 3.708187 304.4811       28.13240 317.0652       32.02932 262.0000       58.84820 79.03583 4.154756 67.42103 9.153460 11.61480       10.05225 
1 1 1 -3  10 59 o 22.75727 7.970878 27.40763       21.91697 27.40763       21.91697 0.000000       0.000000 22.75727 7.970878 ?        ?        ?              ?        
1 1 1 -3  10 60 o 30.36545 7.010666 51.61316       20.41601 47.18809       22.69802 70.36000       46.71880 28.64971 7.858810 32.92024 11.62876 -4.270525      14.03527 
1 1 1 -3  10 61 o 14.78989 6.562053 -2.725477      18.92879 -4.246008      20.87693 4.300000       44.87526 15.24005 6.818084 22.39731 10.00983 -7.157261      12.11127 
1 1 1 -3  10 62 o 27.30473 7.401137 42.98865       20.27161 40.74783       22.47829 52.75000       46.91525 26.39469 8.005196 29.10192 11.37269 -2.707230      13.90760 
1 1 1 -3  11 1  o 450.6180 8.462927 9955.535       373.2805 9247.000       708.4722 10227.81       439.1851 432.8503 16.75327 456.5974 9.826705 -23.74707      19.42257 
1 1 1 -3  11 2  o 511.7195 9.562459 12844.40       478.9694 11900.00       907.2493 13209.34       563.9682 490.5920 18.92847 518.7352 11.10715 -28.14316      21.94666 
1 1 1 -3  11 3  o 591.7225 11.01674 17186.23       638.0834 17390.00       1285.283 17119.58       735.0656 592.1784 22.21317 590.2870 12.72204 1.891357       25.59834 
1 1 1 -3  11 4  f 451.9655 12.03206 10038.39       531.8204 9949.000       747.5460 10130.00       756.7539 449.0262 17.03918 453.0861 17.09414 -4.059906      24.13593 
1 1 1 -3  11 5  o 700.8101 15.02895 24163.28       1030.944 24300.00       1793.047 24095.76       1260.052 698.5740 26.26924 698.6694 18.44125 -0.9539795E-01 32.09599 
1 1 1 -3  11 6  o 533.2761 14.15676 13992.20       738.3088 12610.00       967.4334 15920.00       1142.527 504.9909 19.60909 567.2012 20.61323 -62.21036      28.45034 
1 1 1 -3  11 7  o 197.2517 5.731150 1907.284       110.5371 1863.000       155.0938 1953.000       157.5820 194.7846 8.152578 199.4470 8.088628 -4.662445      11.48436 
1 1 1 -3  11 8  o 503.1903 9.404461 12417.89       463.2041 12535.67       659.6432 12303.32       650.5895 504.8606 13.36021 500.1675 13.30059 4.693146       18.85208 
1 1 1 -3  11 9  o 135.0623 4.375072 894.1290       57.76330 913.4000       83.69462 876.6000       79.82219 136.4036 6.285423 133.6327 6.118695 2.770935       8.771828 
1 1 1 -3  11 10 o 265.4919 6.000731 3452.771       155.9415 3331.000       262.9741 3518.813       193.6660 260.3353 10.34043 267.8553 7.393712 -7.519958      12.71186 
1 1 1 -3  11 11 o 117.5661 3.627698 677.3297       41.69649 651.9471       49.26836 741.4000       78.27612 115.3055 4.373205 122.8398 6.533544 -7.534370      7.862069 
1 1 1 -3  11 12 o 299.2545 6.706659 4388.164       196.4505 4304.000       337.9395 4431.123       241.4357 295.7776 11.69565 300.5132 8.215603 -4.735565      14.29281 
1 1 1 -3  11 13 o 429.4379 9.354417 9048.089       393.2089 8468.000       651.1905 9380.968       493.2915 414.1316 16.09501 436.8314 11.54688 -22.69980      19.80857 
1 1 1 -3  11 14 o 488.1346 10.58138 11701.51       505.5782 10570.00       815.5448 12407.79       644.3281 462.0829 18.06589 502.0203 13.12357 -39.93744      22.32946 
1 1 1 -3  11 15 o 156.3948 3.519901 1197.581       53.88390 1279.522       78.40179 1124.226       74.18004 161.5470 4.964054 151.4138 5.012038 10.13321       7.054244 
1 1 1 -3  11 16 o 388.3416 7.366430 7396.338       280.0124 8009.671       418.0290 6897.179       377.1182 403.5334 10.59245 374.4941 10.29766 29.03931       14.77301 
1 1 1 -3  11 17 o 340.1443 6.508175 5672.839       216.6849 5565.758       302.1711 5786.191       310.8924 336.4890 9.182946 343.0789 9.266330 -6.589874      13.04574 
1 1 1 -3  11 18 o 110.3049 4.281687 596.9042       46.14137 569.4000       69.21863 618.9000       61.90043 107.5470 6.607236 112.2245 5.653282 -4.677490      8.695698 
1 1 1 -3  11 19 o 243.8967 4.863529 2915.096       116.1084 2792.823       159.5462 3052.761       169.2908 238.4778 6.841979 249.3252 6.943588 -10.84744      9.748133 
1 1 1 -3  11 20 o 297.7822 5.781204 4348.817       168.5091 4084.742       228.1661 4665.686       249.9344 288.2014 8.096165 307.9930 8.298026 -19.79163      11.59332 
1 1 1 -3  11 21 o 201.1839 4.877888 1984.114       96.05748 1881.000       162.1338 2039.883       119.2370 195.3828 8.498082 203.8213 5.983090 -8.438568      10.39302 
1 1 1 -3  11 22 o 316.7264 7.088177 4927.708       219.7481 4575.000       363.0565 5131.633       276.0591 303.8401 12.23239 322.7875 8.745394 -18.94739      15.03707 
1 1 1 -3  11 23 o 276.9520 6.304695 3765.934       170.9129 3444.000       280.3777 3956.298       215.6020 263.8009 10.88164 283.5250 7.776167 -19.72406      13.37456 
1 1 1 -3  11 24 o 325.4045 6.278537 5200.117       199.9808 4933.732       272.6364 5510.364       294.2272 316.3149 8.814175 334.2491 9.001229 -17.93427      12.59809 
1 1 1 -3  11 25 o 192.5036 4.699912 1817.401       88.55943 1805.470       108.6647 1841.000       152.8227 191.6807 5.798340 193.1908 8.099531 -1.510086      9.961082 
1 1 1 -3  11 26 o 354.7331 7.869143 6196.591       273.2343 6227.462       336.6492 6137.000       467.7285 354.9221 9.699417 350.6161 13.65485 4.306030       16.74914 
1 1 1 -3  11 27 o 135.9994 3.390625 906.3099       45.13599 887.4171       62.98539 926.2536       64.71355 134.4082 4.795173 137.3186 4.822076 -2.910431      6.800448 
1 1 1 -3  11 28 o 175.8042 5.520710 1519.378       94.88373 0.000000       0.000000 1519.378       94.88373 ?        ?        175.8042 5.520710 ?              ?        
1 1 1 -3  11 29 o 90.39483 3.694707 401.2689       32.62222 438.7000       53.52695 379.1499       41.14700 94.29676 5.827694 87.75807 4.808478 6.538689       7.555361 
1 1 1 -3  11 30 o 166.2315 3.783635 1355.044       61.56429 1333.923       86.33006 1376.899       87.81915 164.6823 5.362759 167.3159 5.369186 -2.633560      7.588633 
1 1 1 -3  11 31 o 176.9447 3.949508 1536.057       68.40482 1547.252       97.60912 1525.254       95.89182 177.2779 5.632239 176.0229 5.572548 1.255020       7.923093 
1 1 1 -3  11 32 o 129.7639 3.416158 826.3911       43.35312 829.1996       61.19057 823.5604       61.43127 129.8066 4.824338 129.3586 4.860279 0.4480591      6.848105 
1 1 1 -3  11 33 o 159.1250 4.357724 1245.080       67.81026 1262.000       122.2010 1237.552       81.51133 159.3674 7.857970 158.4726 5.262115 0.8947754      9.457143 
1 1 1 -3  11 34 o 199.2088 4.957951 1953.904       96.67559 2092.000       176.7484 1894.952       115.4813 204.6147 8.845852 195.8088 6.032417 8.805893       10.70697 
1 1 1 -3  11 35 o 113.1189 3.917285 629.8044       43.30825 596.0000       76.62571 645.6716       52.49744 109.3002 7.202353 114.3961 4.698357 -5.095871      8.599329 
1 1 1 -3  11 36 o 107.3504 3.294800 566.6458       34.57996 521.8969       47.47109 617.2349       50.47381 102.7625 4.732122 111.7969 4.622402 -9.034485      6.615103 
1 1 1 -3  11 37 o 58.73468 4.701711 171.3930       26.80511 170.3061       31.73333 174.1000       50.08038 58.36029 5.624697 58.05568 9.112627 0.3046074      10.70874 
1 1 1 -3  11 38 o 42.47372 6.244492 91.67981       25.18677 71.55550       29.70940 143.1000       47.48977 36.94232 8.405919 52.22954 9.644384 -15.28722      12.79350 
1 1 1 -3  11 39 o 64.49724 4.332856 206.5299       27.19534 265.6285       36.04193 128.4000       41.44080 73.00153 5.075550 49.52651 8.874344 23.47502       10.22327 
1 1 1 -3  11 40 o 143.7502 3.605383 1019.681       50.69012 1000.424       71.49493 1039.146       71.87994 141.7784 5.160410 144.5325 5.088784 -2.754196      7.247452 
1 1 1 -3  11 41 o 48.35972 5.261912 117.8029       24.50654 118.1888       31.38453 117.2000       39.22795 47.97048 6.880713 47.09398 8.834322 0.8765068      11.19774 
1 1 1 -3  11 42 o 86.45341 3.920783 370.4642       33.09248 404.7128       42.46471 317.5000       52.80781 90.07922 4.833823 78.96865 6.901105 11.11057       8.425621 
1 1 1 -3  11 43 f 40.78587 6.823608 86.32945       26.27989 83.52318       31.39428 92.90000       48.03817 39.59947 8.362167 40.86366 11.51781 -1.264183      14.23326 
1 1 1 -3  11 44 o 27.41918 8.191004 39.53617       23.66406 27.79279       27.83771 70.13000       44.93180 24.70991 8.947618 35.84050 11.39225 -11.13058      14.48597 
1 1 1 -3  11 45 o 78.95140 3.752995 309.8403       28.92004 310.2039       33.21239 308.7000       58.81556 78.80070 4.322454 76.80788 7.937342 1.992821       9.037976 
1 1 1 -3  11 46 o 80.08862 3.736200 319.3526       29.20845 301.1695       33.22581 381.2000       61.27767 77.51611 4.397057 85.48103 7.396329 -7.964928      8.604638 
1 1 1 -3  11 47 o 42.95916 5.560306 95.11038       22.83295 96.42838       26.42767 91.23000       45.34595 42.88092 6.499855 39.51030 11.20899 3.370617       12.95722 
1 1 1 -3  11 48 o 77.63579 5.540323 308.2590       41.82534 328.6000       62.12901 291.4000       56.56206 78.20185 8.240264 73.83057 7.952024 4.371277       11.45149 
1 1 1 -3  11 49 o 72.78983 3.741313 265.0256       26.56693 251.3456       30.11051 313.1000       56.44597 70.60036 4.378726 76.65002 7.624396 -6.049652      8.792307 
1 1 1 -3  11 50 o 33.50196 6.292704 59.69177       19.87791 39.68685       22.17288 141.6000       44.86601 26.91273 7.900752 50.01731 9.511638 -23.10458      12.36500 
1 1 1 -3  11 51 o 57.67784 4.076975 167.7922       22.86892 138.6684       25.44442 290.2000       52.16431 51.98450 5.064631 73.71029 7.326918 -21.72579      8.906976 
1 1 1 -3  11 52 o 63.23138 3.865822 201.1547       23.81224 207.7602       26.95762 177.7000       50.79748 64.04768 4.325404 55.67553 9.671969 8.372147       10.59510 
1 1 1 -3  11 53 o 25.73734 7.855634 36.71848       21.59997 36.71848       21.59997 0.000000       0.000000 25.73734 7.855634 ?        ?        ?              ?        
1 1 1 -3  11 54 o 31.97028 7.594587 57.31612       23.41180 41.72844       26.98227 104.8000       47.09349 27.16546 8.846425 40.73273 11.37662 -13.56727      14.41134 
1 1 1 -3  11 55 f 17.47710 7.610139 0.8432358      24.38535 -20.80000      29.70187 45.60000       42.71220 16.21625 7.573652 28.80533 10.95694 -12.58908      13.31971 
1 1 1 -3  11 56 o 17.43511 7.041483 9.638829       18.56302 0.6706998      20.59635 48.45000       42.84673 16.16881 7.017648 29.22287 11.00615 -13.05406      13.05307 
1 1 1 -3  11 57 o 44.56752 6.474349 106.8935       27.41806 115.2516       33.48864 89.90000       47.75144 45.41975 7.814392 37.21502 11.73371 8.204739       14.09769 
1 1 1 -3  11 58 o 49.97330 5.870002 132.2387       28.16641 140.2125       34.39344 116.0000       49.08162 50.60026 7.142527 42.37179 11.52940 8.228470       13.56255 
1 1 1 -3  11 59 o 31.97995 6.634475 56.22993       20.08640 55.35648       22.32598 59.94000       46.01327 31.34628 7.396582 31.18134 11.47039 0.1649437      13.64842 
1 1 1 -3  11 60 o 43.22616 5.167565 98.00507       21.43180 102.5097       23.85494 79.15000       48.80482 43.92466 5.681293 34.39366 11.90386 9.531002       13.19011 
1 1 1 -3  11 61 o 32.67019 6.662605 59.40454       20.58305 64.51480       22.90051 37.92000       46.95551 33.79090 7.147268 26.95866 11.08121 6.832237       13.18623 
1 1 1 -3  12 1  o 131.7598 3.710024 850.5994       47.80060 815.5000       81.79145 868.8058       58.90756 128.8573 6.505788 133.1279 4.527183 -4.270584      7.925948 
1 1 1 -3  12 2  o 516.1448 9.643739 13066.53       487.2178 12260.00       930.8665 13370.84       571.7945 498.0248 19.13104 521.9247 11.19247 -23.89996      22.16457 
1 1 1 -3  12 3  o 455.9538 8.557895 10192.05       381.9390 10410.00       774.6594 10122.06       439.0073 459.2816 17.26232 454.2568 9.873340 5.024841       19.88644 
1 1 1 -3  12 4  o 351.7053 7.740147 6062.414       266.4614 5865.000       451.3527 6168.027       330.1309 345.1926 13.38357 354.5005 9.522622 -9.307922      16.42560 
1 1 1 -3  12 5  o 232.6176 5.373693 2650.083       122.3550 2425.000       202.0547 2780.411       153.7500 222.1733 9.311823 238.1360 6.602422 -15.96269      11.41499 
1 1 1 -3  12 6  o 236.2705 5.441189 2734.044       125.8373 3138.000       239.9727 2580.837       147.7860 252.7408 9.718298 229.4227 6.587804 23.31810       11.74072 
1 1 1 -3  12 7  o 265.6128 5.218123 3455.134       135.6655 3181.000       258.5417 3559.297       159.3690 254.3938 10.40484 269.5561 6.040162 -15.16229      12.03097 
1 1 1 -3  12 8  o 305.2218 6.797951 4564.693       203.0952 0.000000       0.000000 4564.693       203.0952 ?        ?        305.2218 6.797951 ?              ?        
1 1 1 -3  12 9  o 449.2674 12.00527 9922.106       527.4648 10780.00       790.3065 9233.000       708.3076 467.2066 17.31139 432.4608 16.76457 34.74585       24.09845 
1 1 1 -3  12 10 o 398.0201 8.696904 7769.007       338.8253 7621.000       580.0274 7845.674       417.4562 393.1257 15.10147 399.6324 10.68153 -6.506653      18.49729 
1 1 1 -3  12 11 o 211.7967 4.353709 2196.571       90.25780 2280.132       130.6318 2120.242       124.8519 215.6402 6.195314 207.9393 6.140850 7.700928       8.723070 
1 1 1 -3  12 12 o 159.7706 4.187545 1250.817       65.43169 1277.000       117.2776 1238.983       78.84345 161.2276 7.451533 158.9675 5.073500 2.260071       9.014751 
1 1 1 -3  12 13 o 460.0638 10.00002 10392.19       450.3242 9479.000       731.5153 10949.43       571.4373 437.7117 17.10669 471.6734 12.38788 -33.96167      21.12104 
1 1 1 -3  12 14 o 66.98981 3.765835 220.4358       24.59371 277.4000       50.56731 202.7866       28.14697 74.89825 6.977782 64.18853 4.508572 10.70972       8.307627 
1 1 1 -3  12 15 o 339.3346 6.514228 5645.107       216.3701 6128.835       324.0453 5255.925       290.6574 353.1287 9.383214 327.0405 9.088557 26.08817       13.06318 
1 1 1 -3  12 16 f 387.9281 7.362664 7382.908       279.5712 7709.121       407.5529 7092.973       384.2243 395.7693 10.52984 379.6493 10.34907 16.12000       14.76417 
1 1 1 -3  12 17 o 245.1440 4.883210 2944.639       117.1744 2790.025       159.6788 3125.036       172.4800 238.3875 6.850277 252.2891 6.991217 -13.90161      9.787922 
1 1 1 -3  12 18 o 240.9784 6.913813 2851.946       162.9119 3017.000       238.2489 2707.000       223.2648 247.4227 9.857236 234.3632 9.753824 13.05948       13.86731 
1 1 1 -3  12 19 o 237.2691 5.528390 2760.479       128.3944 2571.000       214.1535 2866.807       160.4244 228.3462 9.602755 241.5843 6.790890 -13.23814      11.76134 
1 1 1 -3  12 20 o 180.3480 4.529143 1595.069       79.88951 1513.000       136.4128 1637.911       98.55999 175.2662 7.972403 182.6665 5.518662 -7.400299      9.696125 
1 1 1 -3  12 21 o 342.5357 7.616014 5766.772       255.3523 5374.000       421.9842 5993.684       320.7412 329.0417 13.12840 348.6977 9.405811 -19.65601      16.15005 
1 1 1 -3  12 22 o 130.2550 3.825894 832.0427       48.72623 749.8000       83.59492 874.3638       59.96671 123.3442 6.952109 133.4707 4.596919 -10.12653      8.334476 
1 1 1 -3  12 23 o 133.8514 3.255462 877.6495       42.65223 799.5646       57.38405 974.0407       63.75672 127.6174 4.601364 140.8685 4.630162 -13.25114      6.527707 
1 1 1 -3  12 24 o 260.0775 5.941356 3321.270       151.2497 3171.293       180.0390 3681.000       278.8320 253.8322 7.253694 272.6698 10.46662 -18.83760      12.73445 
1 1 1 -3  12 25 o 201.1734 4.835919 1985.266       95.22608 2005.562       117.8030 1947.000       161.7561 201.9909 5.964778 198.6031 8.339420 3.387802       10.25302 
1 1 1 -3  12 26 o 198.7385 4.187787 1936.583       81.46532 1920.967       114.4266 1952.634       116.0084 197.6673 5.920737 199.2863 5.953784 -1.618958      8.396586 
1 1 1 -3  12 27 o 211.9844 5.045801 2205.577       104.6985 2173.000       176.8581 2223.153       129.9078 209.6650 8.636219 212.5752 6.250117 -2.910278      10.66059 
1 1 1 -3  12 28 o 219.8573 5.196849 2373.538       111.8374 2326.000       188.6889 2399.283       138.8565 216.7727 8.911740 220.7602 6.432839 -3.987457      10.99093 
1 1 1 -3  12 29 f 153.0252 3.613881 1148.036       54.13061 1196.212       78.19923 1103.715       75.00513 155.9826 5.128745 149.8248 5.122007 6.157776       7.248378 
1 1 1 -3  12 30 o 171.2017 4.493608 1439.832       75.23739 1375.000       130.7528 1471.923       91.99298 166.6147 8.041102 172.9512 5.440835 -6.336517      9.708862 
1 1 1 -3  12 31 o 205.7817 5.056841 2081.490       101.8573 1987.000       174.6068 2130.231       125.4062 199.9460 8.944227 207.8676 6.170311 -7.921600      10.86609 
1 1 1 -3  12 32 o 138.9986 3.487323 948.4263       47.40953 1019.387       69.42396 886.4141       64.89896 143.8945 4.936313 134.1676 4.950273 9.726868       6.990879 
1 1 1 -3  12 33 o 147.4592 3.575894 1067.352       51.61344 1127.999       75.19008 1013.311       70.97686 151.2782 5.085056 143.3766 5.065418 7.901627       7.177483 
1 1 1 -3  12 34 o 143.8340 3.531294 1015.953       49.71661 972.5461       69.03555 1062.720       71.65754 140.3947 5.031747 146.7754 4.995002 -6.380753      7.090030 
1 1 1 -3  12 35 o 71.53391 4.259000 252.7838       29.68624 248.0000       56.34871 254.6216       34.92621 69.92432 8.400875 71.66756 5.010336 -1.743248      9.781522 
1 1 1 -3  12 36 o 26.19873 8.174015 34.29915       23.23420 25.27000       45.81843 37.42463       26.95723 28.33880 11.18918 27.51457 8.832543 0.8242226      14.25523 
1 1 1 -3  12 37 f 109.9353 3.913886 596.1316       42.04924 640.5000       78.45211 578.2477       49.80798 112.9590 7.131817 108.0805 4.719475 4.878540       8.551974 
1 1 1 -3  12 38 o 132.8585 4.090993 871.9357       53.13816 809.4478       62.33917 1038.000       101.6252 127.7135 4.996393 143.5821 7.254447 -15.86860      8.808572 
1 1 1 -3  12 39 o 61.17569 4.738242 186.5281       28.15178 164.8979       33.19804 241.9000       53.11623 57.17152 6.022719 68.64972 8.057858 -11.47820      10.05993 
1 1 1 -3  12 40 o 93.73364 4.927867 437.6230       45.05391 437.6230       45.05391 0.000000       0.000000 93.73364 4.927867 ?        ?        ?              ?        
1 1 1 -3  12 41 o 100.7356 3.933658 502.5979       38.71241 502.5979       38.71241 0.000000       0.000000 100.7356 3.933658 ?        ?        ?              ?        
1 1 1 -3  12 42 o 37.53420 6.111347 72.47502       21.68103 60.64307       24.21491 120.3000       48.68356 33.90177 7.496465 46.80136 10.84039 -12.89959      13.17995 
1 1 1 -3  12 43 o 51.89032 5.315992 136.0573       26.61955 137.3229       31.11256 132.6000       51.42321 51.82581 6.259817 48.91947 11.00623 2.906338       12.66185 
1 1 1 -3  12 44 f 61.46231 4.232864 188.6797       25.30983 174.9614       28.58280 238.5000       54.47005 58.93879 5.001663 67.27010 8.458947 -8.331310      9.827025 
1 1 1 -3  12 45 o 49.08114 5.025833 122.0831       23.80450 101.4196       27.02551 193.6000       50.27787 44.19845 6.435717 60.08295 8.810761 -15.88450      10.91091 
1 1 1 -3  12 46 o 70.42636 3.983262 247.9675       27.34678 252.4671       31.67648 234.8000       54.18794 70.82028 4.594342 66.08529 8.579369 4.734993       9.732088 
1 1 1 -3  12 47 o 33.12100 9.743879 61.81654       33.69456 38.17000       50.68693 80.54000       45.10299 29.51566 11.73198 37.11763 11.35596 -7.601967      16.32780 
1 1 1 -3  12 48 o 62.26228 3.928989 194.4556       23.82274 196.9708       26.96133 185.5000       50.87471 62.45724 4.439071 57.74891 9.317229 4.708336       10.32066 
1 1 1 -3  12 49 o 19.93805 7.307920 17.97091       18.65026 29.25617       20.76981 -29.01000      42.37770 23.64156 7.765332 19.34105 9.037483 4.300508       11.91539 
1 1 1 -3  12 50 o 29.71927 6.727979 47.77967       19.11452 54.66866       21.35270 19.99000       42.88615 31.70438 7.061727 25.17612 10.49106 6.528255       12.64636 
1 1 1 -3  12 51 o 60.20590 4.934342 185.4374       28.82376 163.3869       34.71265 234.4000       51.72621 55.61781 6.498632 65.35002 8.271457 -9.732208      10.51899 
1 1 1 -3  12 52 o 36.87145 6.307933 72.61952       21.94806 72.61952       21.94806 0.000000       0.000000 36.87145 6.307933 ?        ?        ?              ?        
1 1 1 -3  12 53 o 58.55080 4.026879 173.5330       22.93796 185.9089       25.89876 128.5000       49.40333 60.41517 4.409893 45.52659 11.17135 14.88858       12.01026 
1 1 1 -3  12 54 o 67.42961 5.368699 235.9966       35.14209 191.3000       45.73888 300.4000       54.90384 58.51661 8.211086 74.00839 7.691098 -15.49178      11.25055 
1 1 1 -3  12 55 o 35.50167 5.850194 67.13577       19.62193 75.12886       21.80947 33.18000       44.95155 37.43816 6.165940 26.83702 10.91405 10.60114       12.53536 
1 1 1 -3  12 56 o 31.09110 6.546841 52.88914       19.29313 51.38963       21.54098 58.97000       43.37831 30.27731 7.344549 31.16763 11.18445 -0.8903217     13.38037 
1 1 1 -3  12 57 o 33.01720 7.237642 60.76956       22.74414 56.05828       26.28921 74.79000       45.35122 31.11664 8.425814 34.24066 11.48207 -3.124020      14.24192 
1 1 1 -3  12 58 o 36.17815 6.947754 72.24088       23.70938 69.11170       27.43591 81.47000       47.11779 34.62830 8.218391 35.30387 11.70039 -0.6755714     14.29829 
1 1 1 -3  12 59 o 54.19850 5.485634 154.2957       28.70157 157.1514       34.87312 148.3000       50.53092 53.77654 6.775143 48.60376 10.89175 5.172783       12.82704 
1 1 1 -3  12 60 o 49.60391 5.979430 131.7030       28.44740 109.1482       34.19483 182.4000       51.26637 43.41396 8.349989 54.78318 9.925838 -11.36922      12.97091 
1 1 1 -3  12 61 o 60.06452 6.452949 196.2377       37.34444 196.2377       37.34444 0.000000       0.000000 60.06452 6.452949 ?        ?        ?              ?        
1 1 1 -3  13 1  o 309.7563 5.976932 4700.002       181.2194 4742.000       364.6638 4686.229       208.8312 310.4924 12.02145 309.2570 6.898735 1.235352       13.86029 
1 1 1 -3  13 2  o 377.0934 7.158210 6968.245       264.2163 6650.000       511.5082 7084.060       308.5699 367.4227 14.24966 380.1321 8.293022 -12.70941      16.48718 
1 1 1 -3  13 3  o 1094.484 23.55563 59435.70       2523.541 55170.00       4138.916 61959.78       3183.780 1039.778 40.74567 1113.028 29.24875 -73.25037      50.15675 
1 1 1 -3  13 4  o 639.5596 13.74284 20113.78       860.3273 20000.00       1483.695 20171.42       1055.979 634.2772 23.94085 639.4889 16.88482 -5.211731      29.29609 
1 1 1 -3  13 5  o 339.6475 7.506227 5653.988       249.5493 5349.000       416.7019 5824.535       311.6063 329.6447 12.93950 344.4809 9.249706 -14.83618      15.90559 
1 1 1 -3  13 6  o 427.8537 11.43140 8995.760       478.3125 0.000000       0.000000 8995.760       478.3125 ?        ?        427.8537 11.43140 ?              ?        
1 1 1 -3  13 7  o 593.5579 12.78222 17317.30       742.6351 0.000000       0.000000 17317.30       742.6351 ?        ?        593.5579 12.78222 ?              ?        
1 1 1 -3  13 8  o 375.0719 10.11608 6909.267       371.0534 6944.000       526.5343 6875.000       522.9813 375.3484 14.35778 373.4809 14.33238 1.867523       20.28702 
1 1 1 -3  13 9  o 543.6504 11.75819 14521.68       625.7006 13080.00       1003.984 15437.23       800.0790 513.6842 20.00578 559.7432 14.61536 -46.05896      24.77579 
1 1 1 -3  13 10 f 204.9474 4.859564 2057.150       97.48683 0.000000       0.000000 2057.150       97.48683 ?        ?        204.9474 4.859564 ?              ?        
1 1 1 -3  13 11 f 204.5338 4.226608 2048.578       84.61810 2332.000       185.6237 1974.232       95.07092 217.8500 8.722656 200.7704 4.837732 17.07957       9.974386 
1 1 1 -3  13 12 o 267.4335 5.271672 3503.697       137.9973 3355.000       268.9661 3556.824       160.7705 261.1096 10.54539 269.4097 6.096591 -8.300079      12.18088 
1 1 1 -3  13 13 o 325.9054 7.247905 5208.770       231.2119 5861.000       435.3808 4952.575       272.8692 344.7145 12.92628 317.5187 8.788136 27.19580       15.63074 
1 1 1 -3  13 14 o 154.4167 4.979435 1169.419       75.16446 0.000000       0.000000 1169.419       75.16446 ?        ?        154.4167 4.979435 ?              ?        
1 1 1 -3  13 15 o 191.8831 4.625698 1803.775       86.88009 1827.000       149.3332 1791.892       106.8187 192.7668 7.931336 191.1148 5.716567 1.652023       9.776770 
1 1 1 -3  13 16 o 180.7097 4.509093 1599.905       79.75848 1707.119       99.95538 1412.000       132.3274 186.5397 5.480241 169.3887 8.003673 17.15109       9.700093 
1 1 1 -3  13 17 o 24.69997 4.617311 30.86539       10.75295 33.53522       14.45660 27.55907       16.08779 25.64151 5.884806 23.42471 6.686701 2.216799       8.907464 
1 1 1 -3  13 18 o 337.6567 7.495358 5599.818       247.7273 6095.000       451.5446 5386.600       296.2996 350.7298 13.17634 330.7511 9.160981 19.97864       16.04803 
1 1 1 -3  13 19 o 98.40526 2.942012 474.6351       28.30616 478.6975       39.79850 470.4763       40.26754 98.75517 4.126279 97.89594 4.212128 0.8592224      5.896456 
1 1 1 -3  13 20 o 93.23570 2.874722 426.1064       26.20385 444.0331       36.76640 407.5999       37.35632 95.11386 3.957774 91.10381 4.200410 4.010048       5.771258 
1 1 1 -3  13 21 o 236.9269 4.759737 2752.289       110.3834 2573.683       149.2623 2967.869       163.9857 228.8142 6.671523 245.7020 6.825148 -16.88779      9.544206 
1 1 1 -3  13 22 o 153.3826 4.123368 1153.938       61.85009 1161.000       110.7833 1150.739       74.55045 153.4802 7.395987 153.0926 4.981596 0.3875885      8.917226 
1 1 1 -3  13 23 o 158.9547 4.064519 1239.290       63.18767 1182.481       76.13789 1365.000       113.2607 155.1762 5.019279 166.4852 6.965590 -11.30901      8.585605 
1 1 1 -3  13 24 o 275.3803 6.238142 3725.653       168.1490 3662.055       204.1039 3860.000       296.6519 272.6513 7.655398 279.0111 10.88311 -6.359863      13.30591 
1 1 1 -3  13 25 o 99.85162 3.351868 489.0824       32.71389 472.7281       40.14689 521.4000       56.43587 98.10181 4.190543 102.8944 5.624866 -4.792603      7.014255 
1 1 1 -3  13 26 o 251.3488 5.771655 3103.374       141.9984 2812.000       228.2589 3287.325       181.3649 238.2354 9.809460 258.3325 7.179421 -20.09706      12.15605 
1 1 1 -3  13 27 o 209.5033 4.984191 2154.570       102.2096 2062.000       169.1641 2207.793       128.2703 204.2031 8.481761 211.8135 6.193455 -7.610382      10.50234 
1 1 1 -3  13 28 o 65.96494 4.209402 214.3217       27.03758 169.8000       54.20226 229.0697       31.19597 57.73820 9.949775 68.15396 4.705164 -10.41576      11.00621 
1 1 1 -3  13 29 o 210.0057 4.389083 2164.527       90.22174 2265.851       131.2595 2073.784       124.2171 214.4632 6.259458 205.1790 6.192124 9.284241       8.804727 
1 1 1 -3  13 30 o 191.4165 4.104018 1798.195       76.89442 1859.955       110.7182 1740.649       106.8739 194.3174 5.827635 187.9788 5.815395 6.338593       8.232870 
1 1 1 -3  13 31 o 335.4185 6.502222 5550.030       213.4789 5419.570       297.5469 5688.423       306.4598 330.0154 9.220211 338.0781 9.269586 -8.062653      13.07431 
1 1 1 -3  13 32 o 179.6707 3.953238 1585.367       69.52425 1647.241       100.5057 1528.592       96.27502 182.7361 5.625712 176.0334 5.594538 6.702759       7.933946 
1 1 1 -3  13 33 o 184.6737 5.694684 1684.572       102.8162 1832.000       148.8362 1550.000       142.1990 191.7695 7.946296 176.2389 8.266095 15.53061       11.46612 
1 1 1 -3  13 34 o 47.05647 4.204823 109.8071       19.16363 96.67679       26.81073 123.5227       27.40186 43.71731 6.459681 49.67000 5.741703 -5.952686      8.642606 
1 1 1 -3  13 35 o 89.02071 3.218196 389.7794       27.99590 408.5170       39.95780 371.7123       39.23643 90.92509 4.503657 86.69620 4.640540 4.228889       6.466648 
1 1 1 -3  13 36 o 46.71039 4.381483 108.5488       19.79890 138.4491       27.89939 78.21371       28.10147 52.58419 5.501758 38.87276 7.657991 13.71143       9.429431 
1 1 1 -3  13 37 o 117.2388 3.914541 678.3061       44.85894 623.7961       52.42180 827.4000       86.69704 112.1930 4.784517 128.4021 6.923654 -16.20901      8.415972 
1 1 1 -3  13 38 o 99.19032 3.947668 486.3461       38.25144 476.6354       45.78160 508.8000       69.61639 97.96455 4.788878 100.3506 7.133888 -2.386070      8.592189 
1 1 1 -3  13 39 o 100.0672 4.852997 498.0639       47.39266 498.0639       47.39266 0.000000       0.000000 100.0672 4.852997 ?        ?        ?              ?        
1 1 1 -3  13 40 o 61.10879 4.104661 185.5834       24.40961 174.8284       26.87342 236.3000       58.35703 59.16788 4.678179 67.17289 9.110092 -8.005009      10.24105 
1 1 1 -3  13 41 o 14.00812 6.767267 -42.55297      28.08290 -42.55297      28.08290 0.000000       0.000000 14.00812 6.767267 ?        ?        ?              ?        
1 1 1 -3  13 42 o 38.57883 8.441910 79.48260       30.99061 46.60000       39.11897 134.9000       50.78406 30.57000 10.65300 49.52641 10.78225 -18.95642      15.15729 
1 1 1 -3  13 43 o 65.71175 4.743134 216.3508       30.30277 206.8073       35.79307 240.5000       56.93719 63.87797 5.787286 67.47958 8.831982 -3.601608      10.55919 
1 1 1 -3  13 44 o 41.61436 5.526965 88.60271       21.95702 78.24376       24.31869 134.3000       51.07725 38.68975 6.661852 48.87060 10.94967 -10.18085      12.81700 
1 1 1 -3  13 45 o 53.76125 4.503084 145.5141       23.47906 142.3288       26.61288 156.7000       49.87140 52.91998 5.204950 53.16708 9.948618 -0.2470970     11.22793 
1 1 1 -3  13 46 o 49.69439 7.646901 131.8614       36.00554 164.5000       54.38960 106.4000       48.03876 53.63690 10.73462 42.58006 11.32872 11.05685       15.60679 
1 1 1 -3  13 47 o 27.45594 7.140687 40.78278       19.36836 26.46461       21.66495 97.78000       43.22556 22.99231 7.932382 40.97998 10.67228 -17.98767      13.29738 
1 1 1 -3  13 48 o 63.03145 3.854724 199.1709       23.66873 209.9205       26.88224 162.1000       49.92128 64.54025 4.279454 53.44642 9.907198 11.09383       10.79195 
1 1 1 -3  13 49 o 23.14510 7.332057 28.31646       18.62522 11.13775       20.76383 99.06000       42.13622 18.66862 7.479350 41.08392 10.45393 -22.41530      12.85400 
1 1 1 -3  13 50 o 39.30882 5.363046 80.26787       20.09757 75.58076       22.49109 98.84000       44.77015 37.71792 6.314998 40.47128 11.01100 -2.753357      12.69336 
1 1 1 -3  13 51 o 21.30437 7.584042 22.28511       19.90469 22.28511       19.90469 0.000000       0.000000 21.30437 7.584042 ?        ?        ?              ?        
1 1 1 -3  13 52 o 44.79000 4.751296 103.0972       20.51313 109.8757       22.99928 76.73000       45.36034 46.04616 5.193365 35.16442 11.47137 10.88174       12.59219 
1 1 1 -3  13 53 o 34.86021 6.452811 65.68530       21.20764 66.49201       24.20525 63.02000       43.99716 34.61506 7.370120 32.19666 11.29226 2.418400       13.48458 
1 1 1 -3  13 54 o 21.61866 7.312263 24.46371       18.39183 31.72094       20.38775 -7.252000      42.62075 24.06089 7.676865 21.14466 9.575408 2.916233       12.27284 
1 1 1 -3  13 55 o 21.22060 7.346428 23.25081       18.58878 25.27645       20.61954 14.46000       42.95477 22.07500 7.731390 23.77794 10.22638 -1.702936      12.82003 
1 1 1 -3  13 56 o 30.99470 6.801277 52.99828       20.06615 58.65500       22.55320 31.51000       43.95688 32.40167 7.288153 26.35610 10.76471 6.045565       12.99985 
1 1 1 -3  13 57 o 30.52201 6.859361 51.56998       19.99239 50.39367       22.29438 56.40000       45.17586 29.83010 7.611516 30.62245 11.34758 -0.7923584     13.66392 
1 1 1 -3  13 58 o 28.61482 7.112147 45.91798       19.83396 39.28021       22.01112 74.58000       45.73879 26.28139 7.910994 33.95276 11.53098 -7.671373      13.98382 
1 1 1 -3  13 59 o 26.21797 7.297338 38.88636       19.41221 35.55227       21.44293 54.03000       45.69947 25.05434 7.857896 29.85333 11.33878 -4.798986      13.79545 
1 1 1 -3  13 60 o 25.66744 8.402781 38.07660       24.32830 38.07660       24.32830 0.000000       0.000000 25.66744 8.402781 ?        ?        ?              ?        
1 1 1 -3  13 61 o 25.90326 7.981448 39.16941       22.23109 41.12495       25.33351 32.62000       46.36218 26.36536 8.570887 25.94203 10.86614 0.4233284      13.83955 
1 1 1 -3  14 1  o 488.8521 10.58469 11730.76       506.4797 11160.00       846.3391 12049.21       632.1746 475.0820 18.23377 494.8882 13.06182 -19.80624      22.42948 
1 1 1 -3  14 2  o 300.4608 6.735830 4423.639       198.1003 3992.000       320.3873 4690.800       252.0584 284.8636 11.51405 309.1894 8.336176 -24.32581      14.21496 
1 1 1 -3  14 3  o 858.1690 15.92463 36290.45       1337.669 33680.00       2534.836 37298.00       1574.798 817.9326 31.72125 868.9590 18.51481 -51.02643      36.72923 
1 1 1 -3  14 4  o 417.2634 7.880105 8535.648       321.8463 7695.000       598.8206 8877.131       381.6579 394.9184 15.52136 425.4005 9.165793 -30.48209      18.02566 
1 1 1 -3  14 5  o 381.1125 10.25585 7134.610       382.2402 0.000000       0.000000 7134.610       382.2402 ?        ?        381.1125 10.25585 ?              ?        
1 1 1 -3  14 6  o 173.8692 5.376154 1482.159       91.38572 0.000000       0.000000 1482.159       91.38572 ?        ?        173.8692 5.376154 ?              ?        
1 1 1 -3  14 7  o 422.5673 7.970916 8755.537       329.6935 8890.000       666.0034 8711.891       379.4489 424.2869 16.06556 421.3816 9.199656 2.905334       18.51313 
1 1 1 -3  14 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  14 9  o 88.24183 3.861025 382.0025       33.26831 0.000000       0.000000 382.0025       33.26831 ?        ?        88.24183 3.861025 ?              ?        
1 1 1 -3  14 10 o 250.2130 4.972503 3066.723       121.7843 3096.000       246.3925 3057.258       140.0932 250.8682 10.05440 249.7910 5.729728 1.077240       11.57242 
1 1 1 -3  14 11 o 133.7130 3.694076 876.1561       48.30245 0.000000       0.000000 876.1561       48.30245 ?        ?        133.7130 3.694076 ?              ?        
1 1 1 -3  14 12 o 67.91769 3.221359 226.3625       21.35447 0.000000       0.000000 226.3625       21.35447 ?        ?        67.91769 3.221359 ?              ?        
1 1 1 -3  14 13 o 233.6617 4.694951 2674.769       107.3804 2525.000       209.7083 2727.992       125.0124 226.4814 9.480657 235.9361 5.413179 -9.454681      10.91720 
1 1 1 -3  14 14 o 109.9797 4.244797 593.3803       45.60995 0.000000       0.000000 593.3803       45.60995 ?        ?        109.9797 4.244797 ?              ?        
1 1 1 -3  14 15 o 301.7437 5.858707 4464.421       173.0399 4268.000       336.4922 4535.040       201.7622 293.9800 11.71714 304.0244 6.779929 -10.04443      13.53732 
1 1 1 -3  14 16 o 188.0180 5.798563 1735.245       106.5876 1995.000       162.4760 1539.000       141.2236 201.3190 8.262704 176.7875 8.183317 24.53148       11.62923 
1 1 1 -3  14 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  14 18 o 182.6814 5.697971 1638.618       101.7629 1791.000       150.7345 1511.000       137.9436 190.6880 8.094162 175.1239 8.068977 15.56409       11.42908 
1 1 1 -3  14 19 o 213.2827 6.328780 2234.979       131.9779 2229.000       186.3162 2241.000       186.9754 212.5816 8.974222 213.1527 8.981768 -0.5710754     12.69680 
1 1 1 -3  14 20 o 197.6595 6.011340 1919.505       116.1690 1951.000       165.6163 1889.000       162.9906 198.8905 8.526936 195.6985 8.529292 3.191940       12.06057 
1 1 1 -3  14 21 o 277.6554 6.322279 3786.266       171.8249 3679.453       206.0638 4030.000       311.2761 273.3714 7.708611 285.1840 11.17263 -11.81256      13.57389 
1 1 1 -3  14 22 f 268.5212 7.525619 3550.323       197.6052 3550.323       197.6052 0.000000       0.000000 268.5212 7.525619 ?        ?        ?              ?        
1 1 1 -3  14 23 o 84.29547 3.470573 348.7663       28.57471 379.0000       40.10733 317.6000       40.72116 87.78040 4.684852 80.28155 5.210152 7.498856       7.006677 
1 1 1 -3  14 24 o 191.4842 4.628514 1798.515       86.75227 1892.324       110.3882 1647.000       140.2908 196.2116 5.753884 182.6906 7.863662 13.52103       9.743940 
1 1 1 -3  14 25 o 107.8030 3.828985 570.4102       40.33950 510.0000       53.12140 652.7000       61.99939 101.7810 5.350875 115.1585 5.516325 -13.37754      7.685162 
1 1 1 -3  14 26 o 79.80314 3.214966 312.5770       25.06182 330.7672       31.93237 283.4000       40.44200 82.03490 3.988687 75.76226 5.490736 6.272644       6.786590 
1 1 1 -3  14 27 o 212.2361 5.127027 2212.134       106.5102 2110.000       182.8528 2264.583       131.0351 206.3301 9.076047 214.4689 6.248563 -8.138855      11.01904 
1 1 1 -3  14 28 o 120.5278 3.194654 712.5070       37.65600 711.0861       53.05799 713.9489       53.45145 120.2781 4.514705 120.5175 4.539207 -0.2393875     6.402106 
1 1 1 -3  14 29 o 85.99510 3.018306 362.9052       25.36702 371.0498       35.52324 354.4303       36.23615 86.84878 4.191085 84.85678 4.377434 1.991997       6.060291 
1 1 1 -3  14 30 o 104.2920 3.107319 533.7377       31.68535 532.7150       44.43507 534.7957       45.19428 104.0574 4.372358 104.2524 4.439013 -0.1950378     6.230758 
1 1 1 -3  14 31 o 170.1214 4.442856 1423.332       73.91893 1393.670       88.65180 1491.000       133.8993 168.1449 5.393365 173.2172 7.918290 -5.072296      9.580590 
1 1 1 -3  14 32 o 111.1445 3.848229 607.5091       41.80222 585.2233       50.08152 658.7000       75.90329 108.9530 4.707148 115.1719 6.762751 -6.218842      8.239663 
1 1 1 -3  14 33 o 130.0455 3.350679 830.9464       42.61598 850.2392       48.90771 770.1000       86.85564 131.4733 3.804437 124.3137 7.168339 7.159683       8.115345 
1 1 1 -3  14 34 o 141.9274 3.456401 989.8777       48.01719 984.5318       54.64245 1008.000       100.6063 141.4010 3.951823 142.0624 7.259089 -0.6613770     8.265064 
1 1 1 -3  14 35 o 152.3002 3.615889 1141.082       53.90408 1175.905       62.42476 1039.000       106.8803 154.4308 4.133400 143.8746 7.616530 10.55612       8.665826 
1 1 1 -3  14 36 o 174.4592 3.906799 1499.785       66.71466 1450.909       75.08785 1683.000       145.3796 171.3525 4.480700 182.5694 8.155810 -11.21686      9.305585 
1 1 1 -3  14 37 o 130.4050 3.406332 837.8801       43.44257 787.2172       48.10277 1062.000       101.1731 126.2673 3.896665 145.2233 7.139302 -18.95602      8.133489 
1 1 1 -3  14 38 o 54.65989 4.487365 148.8732       23.79737 148.8732       23.79737 0.000000       0.000000 54.65989 4.487365 ?        ?        ?              ?        
1 1 1 -3  14 39 o 71.54237 3.581707 253.1569       25.00208 242.4876       27.62879 301.4000       58.75048 69.91076 4.054893 76.58924 7.952399 -6.678482      8.926523 
1 1 1 -3  14 40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  14 41 o 79.19707 4.938907 313.6399       38.09597 258.9000       47.85054 408.4000       62.95755 71.16904 6.957713 89.36626 7.259746 -18.19723      10.05553 
1 1 1 -3  14 42 o 61.10894 7.349183 193.1000       43.07800 193.1000       43.07800 0.000000       0.000000 61.10894 7.349183 ?        ?        ?              ?        
1 1 1 -3  14 43 o 37.95971 5.911872 74.29437       21.25108 52.08860       23.22041 188.8000       52.72910 31.21482 7.658422 59.22865 9.409547 -28.01383      12.13223 
1 1 1 -3  14 44 o 69.40784 4.639090 241.9924       31.33624 212.3587       36.66477 322.3000       60.35796 64.49841 5.871869 78.29420 7.987648 -13.79579      9.913695 
1 1 1 -3  14 45 o 32.01126 9.942292 56.87817       34.41652 43.08000       50.39350 68.94000       47.11622 30.43542 11.81708 34.88368 11.70344 -4.448257      16.63171 
1 1 1 -3  14 46 o 38.62705 5.239033 76.77759       19.29823 67.70118       21.25391 119.4000       46.05754 35.85534 6.284893 45.54939 10.53947 -9.694054      12.27112 
1 1 1 -3  14 47 o 34.99818 5.813387 64.15343       19.21663 61.79941       21.40762 73.92000       43.60469 34.00750 6.669556 35.48277 11.21594 -1.475269      13.04915 
1 1 1 -3  14 48 f 32.55053 6.008829 56.02649       18.43983 40.99230       20.43027 122.1000       42.82998 27.38700 7.432831 46.22118 9.772738 -18.83418      12.27817 
1 1 1 -3  14 49 o 34.18004 5.800928 61.48068       18.71469 70.00879       20.81528 25.51000       42.74941 36.41883 6.051442 25.99358 10.61614 10.42525       12.21975 
1 1 1 -3  14 50 o 15.56628 6.738325 0.9484870E-01  18.88780 0.9484870E-01  18.88780 0.000000       0.000000 15.56628 6.738325 ?        ?        ?              ?        
1 1 1 -3  14 51 o 63.41145 3.716759 202.0461       22.96835 193.4939       25.70631 235.9000       51.14523 61.79136 4.276547 65.49812 8.153603 -3.706764      9.207067 
1 1 1 -3  14 52 o 24.04251 7.661118 31.56023       20.30942 45.11885       23.24565 -12.17000      41.74695 28.24597 8.029482 20.46725 9.349335 7.778717       12.32407 
1 1 1 -3  14 53 o 23.78382 7.095450 31.08453       17.76644 27.71908       19.57108 46.85000       42.35912 22.74162 7.540892 28.93577 10.93334 -6.194151      13.28168 
1 1 1 -3  14 54 o 29.66314 6.559530 48.14534       18.53944 50.05612       20.59474 39.98000       42.57331 30.01842 7.117841 27.73353 10.83490 2.284889       12.96375 
1 1 1 -3  14 55 o 38.26343 5.374338 76.96681       19.57459 72.57204       21.81223 95.15000       44.36772 36.68044 6.302219 38.74266 11.11893 -2.062222      12.78079 
1 1 1 -3  14 56 o 28.82946 6.892004 46.14309       19.18430 57.39739       21.36429 -0.7145000     43.59324 32.18013 6.983549 21.94938 9.833581 10.23075       12.06106 
1 1 1 -3  14 57 o 21.20323 7.415988 23.26349       18.96751 19.43490       21.02886 39.97000       43.92780 20.44342 7.708140 27.56076 10.93247 -7.117346      13.37664 
1 1 1 -3  14 58 f 31.69002 6.657228 55.36385       19.99235 72.27864       22.20720 -16.97000      45.92312 36.43093 6.464278 20.65157 9.567437 15.77936       11.54655 
1 1 1 -3  14 59 o 33.24642 6.938900 61.71221       21.85010 61.71221       21.85010 0.000000       0.000000 33.24642 6.938900 ?        ?        ?              ?        
1 1 1 -3  14 60 o 45.01505 4.891475 106.0443       21.20670 118.3731       23.56578 53.55000       48.62702 47.41519 5.160770 29.36060 11.54715 18.05459       12.64793 
1 1 1 -3  15 1  o 360.2653 7.950197 6364.197       280.3539 5713.000       450.0942 6777.008       358.3626 340.4616 13.53303 371.4466 9.865174 -30.98502      16.74708 
1 1 1 -3  15 2  o 403.6364 7.634143 7987.695       301.6177 7694.000       587.4757 8092.821       351.4778 394.8257 15.22977 406.1620 8.840816 -11.33630      17.60983 
1 1 1 -3  15 3  o 357.9628 6.828773 6280.186       239.2692 5881.000       457.5956 6430.395       280.6992 345.4132 13.56068 362.1293 7.919019 -16.71606      15.70359 
1 1 1 -3  15 4  o 415.2421 9.057625 8460.419       368.1476 0.000000       0.000000 8460.419       368.1476 ?        ?        415.2421 9.057625 ?              ?        
1 1 1 -3  15 5  o 365.0558 14.02083 6573.000       500.0704 0.000000       0.000000 6573.000       500.0704 ?        ?        365.0558 14.02083 ?              ?        
1 1 1 -3  15 6  o 293.9881 6.608310 4236.157       190.1631 4069.000       320.7330 4326.773       236.1469 287.4880 11.42044 296.8934 8.133638 -9.405334      14.02079 
1 1 1 -3  15 7  o 279.3634 5.471127 3823.618       149.6072 3406.000       278.0262 3993.827       177.4957 263.0421 10.82138 285.4612 6.352352 -22.41901      12.54809 
1 1 1 -3  15 8  o 272.3693 6.192852 3635.953       165.1031 4124.000       310.7305 3443.966       194.8901 289.4210 10.98847 264.8840 7.524334 24.53693       13.31774 
1 1 1 -3  15 9  f 118.4353 3.119632 687.2419       36.13371 658.2000       74.30118 696.2379       41.35313 115.6812 6.589107 119.1897 3.548521 -3.508499      7.483871 
1 1 1 -3  15 10 o 284.9802 5.563548 3979.988       155.1932 3571.000       290.3916 4143.501       183.6140 269.1941 11.04423 290.7089 6.452699 -21.51480      12.79111 
1 1 1 -3  15 11 o 310.5639 5.999821 4728.213       182.3877 4377.000       348.0138 4861.206       214.1535 297.8400 11.96166 314.8123 6.949720 -16.97235      13.83402 
1 1 1 -3  15 12 o 207.7006 4.913802 2113.830       99.89911 0.000000       0.000000 2113.830       99.89911 ?        ?        207.7006 4.913802 ?              ?        
1 1 1 -3  15 13 o 151.6228 4.889880 1127.750       72.47706 0.000000       0.000000 1127.750       72.47706 ?        ?        151.6228 4.889880 ?              ?        
1 1 1 -3  15 14 o 137.5165 3.734447 926.9583       50.22099 0.000000       0.000000 926.9583       50.22099 ?        ?        137.5165 3.734447 ?              ?        
1 1 1 -3  15 15 o 86.20553 3.531607 364.6013       29.73673 483.5000       60.49680 326.7215       34.14663 99.07305 6.270535 81.54492 4.293164 17.52813       7.599399 
1 1 1 -3  15 16 f 97.00220 4.806508 462.3680       45.49490 542.1000       66.44545 392.0000       62.42188 104.8930 6.503604 89.04738 7.223567 15.84557       9.719917 
1 1 1 -3  15 17 o 123.4663 4.826478 748.4605       58.21668 851.5000       85.89240 660.9000       79.17846 131.5197 6.694043 115.7884 7.019084 15.73130       9.699369 
1 1 1 -3  15 18 o 174.5723 5.557865 1496.585       94.84963 1473.000       132.9940 1521.000       135.3112 172.8932 7.879364 175.6919 7.888328 -2.798737      11.14944 
1 1 1 -3  15 19 o 379.0592 10.31172 7100.289       382.2439 7067.000       538.8781 7134.000       542.2871 376.3352 14.65685 378.1059 14.68032 -1.770660      20.74452 
1 1 1 -3  15 20 o 269.0701 7.611753 3564.443       200.2718 3551.000       282.6333 3578.000       283.8245 267.7576 10.80608 268.7740 10.81044 -1.016327      15.28519 
1 1 1 -3  15 21 o 201.2397 8.727201 2000.000       171.4989 2000.000       171.4989 0.000000       0.000000 201.2397 8.727201 ?        ?        ?              ?        
1 1 1 -3  15 22 o 198.3229 6.093421 1933.915       118.1475 1759.000       158.7644 2151.000       176.8698 188.6884 8.618868 208.6825 8.677811 -19.99409      12.23067 
1 1 1 -3  15 23 o 160.8322 5.422323 1271.322       85.23992 1242.000       120.1844 1301.000       120.9138 158.6125 7.764733 162.3687 7.629279 -3.756226      10.88563 
1 1 1 -3  15 24 f 135.1500 7.147398 901.5000       94.21572 0.000000       0.000000 901.5000       94.21572 ?        ?        135.1500 7.147398 ?              ?        
1 1 1 -3  15 25 o 189.3832 5.937214 1764.510       109.9243 1763.000       155.9721 1766.000       154.9458 188.7975 8.461537 188.9733 8.397677 -0.1757660     11.92135 
1 1 1 -3  15 26 o 167.0646 5.553022 1373.024       90.68098 1316.000       125.6543 1435.000       130.9970 163.1257 7.892955 170.3610 7.877025 -7.235336      11.15107 
1 1 1 -3  15 27 o 205.9534 6.277209 2089.476       126.3964 2075.000       178.6044 2104.000       178.8989 204.5582 8.941689 205.9998 8.893219 -1.441574      12.61123 
1 1 1 -3  15 28 o 192.9268 4.797652 1828.336       90.59985 1791.640       108.8680 1911.000       163.3969 190.7250 5.838456 196.2871 8.524772 -5.562042      10.33244 
1 1 1 -3  15 29 o 122.8293 3.841542 741.0601       46.12958 713.4803       54.31933 812.4000       87.36266 120.4221 4.616865 128.0901 6.994478 -7.667969      8.380821 
1 1 1 -3  15 30 o 117.4405 3.131846 676.8643       35.96970 668.0077       40.12539 713.1000       81.16267 116.6272 3.518928 119.9151 6.944454 -3.287949      7.785133 
1 1 1 -3  15 31 o 154.9468 3.554864 1178.602       53.91529 1165.814       61.03809 1224.000       115.0076 153.9810 4.053269 156.9051 7.510104 -2.924103      8.534087 
1 1 1 -3  15 32 o 108.9645 3.091924 583.1257       32.94433 575.2380       36.75018 615.4000       74.33871 108.1747 3.475294 111.1953 6.863474 -3.020622      7.693175 
1 1 1 -3  15 33 o 116.5888 3.166942 667.9545       36.10778 646.1782       40.15666 759.9000       82.51445 114.6059 3.584087 123.4682 6.854513 -8.862274      7.734988 
1 1 1 -3  15 34 o 113.7002 3.139254 635.5583       34.90422 626.8950       39.08249 669.7000       77.58628 112.8526 3.542442 115.7437 6.879309 -2.891151      7.737815 
1 1 1 -3  15 35 o 70.69313 3.113682 246.0824       21.49270 230.4838       23.33159 333.5000       55.23322 68.35587 3.498722 81.40829 6.999356 -13.05242      7.825090 
1 1 1 -3  15 36 o 116.5782 3.207714 669.0572       36.56843 665.1098       41.11573 684.0000       79.99660 116.1403 3.621178 116.5857 7.042877 -0.4454346     7.919283 
1 1 1 -3  15 37 o 45.37393 4.301854 102.6899       18.87772 102.6899       18.87772 0.000000       0.000000 45.37393 4.301854 ?        ?        ?              ?        
1 1 1 -3  15 38 o 43.19028 4.227638 93.14592       17.64404 78.26997       18.85639 197.8000       50.01431 39.38888 5.003544 61.71963 8.504585 -22.33075      9.867290 
1 1 1 -3  15 39 o 213.6259 5.184741 2273.935       108.4145 2248.186       130.2534 2332.000       195.5976 211.4326 6.300801 211.8243 9.457540 -0.3916168     11.36420 
1 1 1 -3  15 40 o 82.96938 3.595448 340.6748       29.13030 331.1053       33.01627 374.3000       61.88916 81.64503 4.144912 85.45789 7.473855 -3.812859      8.546275 
1 1 1 -3  15 41 o 55.94851 3.853334 155.7077       20.97349 159.9270       23.07926 135.7000       50.25750 56.62175 4.193983 49.68181 10.65436 6.939938       11.45011 
1 1 1 -3  15 42 o 89.54179 3.740275 397.7665       32.70982 397.7665       32.70982 0.000000       0.000000 89.54179 3.740275 ?        ?        ?              ?        
1 1 1 -3  15 43 o 89.40719 4.350515 399.3589       37.95890 399.3589       37.95890 0.000000       0.000000 89.40719 4.350515 ?        ?        ?              ?        
1 1 1 -3  15 44 o 90.59875 5.582130 417.0187       49.26227 436.3000       71.50544 399.6000       67.96412 90.86061 8.125703 86.97051 8.075911 3.890099       11.45632 
1 1 1 -3  15 45 o 89.89056 3.917709 403.7865       34.38811 388.2378       40.41107 444.6000       65.47192 87.73080 4.723307 92.03085 7.328496 -4.300041      8.718743 
1 1 1 -3  15 46 o 24.76049 7.556985 32.76078       19.98927 37.80433       22.61280 14.73000       42.75563 26.43913 8.031271 24.62528 10.38197 1.813856       13.12580 
1 1 1 -3  15 47 o 33.63256 7.319400 61.48648       23.40984 37.09291       27.57727 124.4000       44.28794 26.43436 8.953877 46.56239 10.01482 -20.12803      13.43386 
1 1 1 -3  15 48 o 23.76898 8.175511 29.02715       23.00745 24.44785       27.63530 39.37000       41.53215 23.29415 8.824388 28.23732 10.78913 -4.943174      13.93826 
1 1 1 -3  15 49 o 48.10969 6.899234 123.6738       31.56068 123.6738       31.56068 0.000000       0.000000 48.10969 6.899234 ?        ?        ?              ?        
1 1 1 -3  15 50 o 55.81748 3.896321 157.0485       21.15415 156.3751       23.44335 160.0000       49.08152 55.50013 4.350122 52.51123 9.912314 2.988903       10.82486 
1 1 1 -3  15 51 o 23.42851 7.362886 29.71309       18.81698 18.62966       21.06089 73.57000       41.89465 20.42899 7.711513 34.65144 10.99886 -14.22245      13.43288 
1 1 1 -3  15 52 o 23.65421 7.085186 30.63626       17.68789 30.70104       19.46890 30.33000       42.33165 23.71640 7.494172 26.15802 10.60841 -2.441624      12.98849 
1 1 1 -3  15 53 o 48.00591 4.420909 117.9254       20.54048 131.7305       23.01482 63.88000       45.53738 50.61907 4.698653 32.22478 11.47119 18.39428       12.39619 
1 1 1 -3  15 54 o 10.85197 5.220774 -22.10153      16.30308 -15.60470      17.89310 -53.86000      39.56075 12.41477 5.824022 16.20614 7.876759 -3.791371      9.796048 
1 1 1 -3  15 55 o 28.43608 6.485887 44.40265       17.65180 42.45977       19.37510 53.89000       42.81483 27.55612 7.129471 30.09697 11.06573 -2.540850      13.16358 
1 1 1 -3  15 56 o 48.01217 4.455436 118.2848       20.69973 135.9864       22.93553 40.54000       48.06606 51.42557 4.605112 28.09251 11.33607 23.33305       12.23575 
1 1 1 -3  15 57 o 35.13670 5.860582 66.18594       19.44663 76.17490       21.57924 23.01000       44.86385 37.63699 6.063514 25.03506 10.59874 12.60192       12.21063 
1 1 1 -3  15 58 o 39.78948 5.318988 83.51061       20.19745 89.48849       22.28768 56.05000       47.76901 40.99332 5.709208 30.24564 11.56735 10.74768       12.89956 
1 1 1 -3  15 59 o 37.73071 5.603733 76.09241       20.06799 72.59158       21.98826 93.55000       49.10184 36.38470 6.407965 36.85378 11.92867 -0.4690742     13.54087 
1 1 1 -3  15 60 o 33.40661 7.077301 63.15436       22.42168 53.81078       25.43479 95.73000       47.49175 30.05990 8.347840 37.20564 11.69784 -7.145741      14.37101 
1 1 1 -3  16 1  o 220.9516 5.222129 2391.682       112.9408 2194.000       185.5003 2508.126       142.3703 211.2272 8.992561 226.1166 6.439068 -14.88940      11.06019 
1 1 1 -3  16 2  o 155.0761 4.156131 1178.567       63.03018 1084.000       104.2116 1233.117       79.14831 148.5103 7.190277 158.5735 5.105890 -10.06314      8.818741 
1 1 1 -3  16 3  o 214.0626 6.297938 2247.918       131.8174 0.000000       0.000000 2247.918       131.8174 ?        ?        214.0626 6.297938 ?              ?        
1 1 1 -3  16 4  o 252.3389 5.816199 3120.421       143.6579 0.000000       0.000000 3120.421       143.6579 ?        ?        252.3389 5.816199 ?              ?        
1 1 1 -3  16 5  o 346.1642 7.657432 5878.440       259.4607 5432.000       425.9098 6141.890       327.1792 331.7482 13.14205 353.4919 9.464351 -21.74377      16.19529 
1 1 1 -3  16 6  o 292.0578 5.685040 4180.211       162.5206 4122.000       322.2743 4200.064       188.2044 289.2081 11.40674 292.6844 6.569373 -3.476318      13.16322 
1 1 1 -3  16 7  o 298.2533 5.790616 4359.938       169.0504 4309.000       335.6207 4377.256       195.6870 295.6301 11.62092 298.7720 6.691382 -3.141937      13.40972 
1 1 1 -3  16 8  o 531.3380 9.942968 13879.67       517.1221 13230.00       1000.004 14116.82       604.1762 514.9269 19.87770 535.4430 11.52774 -20.51611      22.97851 
1 1 1 -3  16 9  o 271.8697 6.183281 3624.090       164.5455 3723.000       290.5302 3577.380       199.6533 274.8237 10.82133 269.8834 7.565242 4.940308       13.20356 
1 1 1 -3  16 10 o 495.7043 9.314065 12079.62       451.9269 10970.00       844.1301 12525.45       535.0692 469.0258 18.42265 504.3732 10.83807 -35.34741      21.37423 
1 1 1 -3  16 11 o 214.8959 4.395504 2262.531       92.45767 2553.000       201.0024 2184.579       104.1275 227.7069 9.036121 211.1262 5.038681 16.58070       10.34600 
1 1 1 -3  16 12 o 161.0669 3.595227 1270.637       56.68118 1326.000       119.0914 1254.423       64.44896 164.1668 7.430467 159.9640 4.119543 4.202774       8.496026 
1 1 1 -3  16 13 o 263.6624 5.202487 3408.176       134.2658 3119.000       255.6774 3518.287       157.7710 251.3673 10.41403 267.8097 6.018589 -16.44235      12.02811 
1 1 1 -3  16 14 o 106.0380 3.333775 551.2599       34.55924 657.8000       71.92214 519.2764       39.40666 115.5986 6.381049 102.8773 3.920479 12.72122       7.489188 
1 1 1 -3  16 15 o 151.4886 3.459012 1124.113       51.29064 1219.000       110.9649 1098.332       57.84029 157.3616 7.223382 149.6698 3.951576 7.691818       8.233603 
1 1 1 -3  16 16 o 226.2089 6.602754 2514.771       146.0414 2468.000       203.9386 2564.000       209.2305 223.6301 9.337260 227.9330 9.398191 -4.302917      13.24804 
1 1 1 -3  16 17 o 193.4684 5.918297 1838.793       111.9443 1910.000       161.5371 1773.000       155.2748 196.8103 8.404647 189.6105 8.387030 7.199783       11.87352 
1 1 1 -3  16 18 o 238.0565 6.889110 2787.329       160.3586 2768.000       225.7910 2807.000       227.7849 236.6391 9.768971 238.2989 9.786370 -1.659790      13.82772 
1 1 1 -3  16 19 o 153.7053 7.511360 1165.000       112.6669 1165.000       112.6669 0.000000       0.000000 153.7053 7.511360 ?        ?        ?              ?        
1 1 1 -3  16 20 o 148.6486 7.473662 1090.000       108.3940 1090.000       108.3940 0.000000       0.000000 148.6486 7.473662 ?        ?        ?              ?        
1 1 1 -3  16 21 o 186.8074 5.867638 1715.581       107.1580 1676.000       149.8542 1757.000       153.2930 184.2182 8.332129 188.6277 8.323024 -4.409561      11.77697 
1 1 1 -3  16 22 o 177.9041 5.731750 1556.034       99.68096 1480.000       137.9939 1639.000       144.1477 173.0914 8.167796 182.1841 8.103623 -9.092697      11.50572 
1 1 1 -3  16 23 o 251.9708 10.33220 3150.000       254.2888 0.000000       0.000000 3150.000       254.2888 ?        ?        251.9708 10.33220 ?              ?        
1 1 1 -3  16 24 o 128.2590 5.067504 808.8808       63.49398 754.1000       87.81290 868.9000       91.91564 123.5172 7.295636 132.6480 7.105096 -9.130798      10.18375 
1 1 1 -3  16 25 o 256.7181 7.396059 3251.514       185.6565 3125.000       256.3809 3391.000       269.2041 250.6604 10.47253 261.0948 10.55537 -10.43440      14.86908 
1 1 1 -3  16 26 o 190.4816 5.994469 1786.625       111.6269 1756.000       156.9171 1818.000       158.8288 188.2518 8.538014 191.5654 8.491542 -3.313675      12.04176 
1 1 1 -3  16 27 o 129.2174 5.172699 821.9835       65.29291 819.3000       93.85736 824.5000       90.89034 128.5958 7.488909 129.0590 7.223704 -0.4631348     10.40508 
1 1 1 -3  16 28 o 251.1796 7.308915 3119.958       179.5070 3236.000       260.4779 3015.000       247.7244 254.4360 10.48134 245.6560 10.32535 8.779999       14.71297 
1 1 1 -3  16 29 o 67.71803 6.048048 227.8741       39.66752 249.4000       58.45459 209.5000       54.00583 70.33798 8.673822 64.34936 8.804801 5.988625       12.35960 
1 1 1 -3  16 30 f 216.5477 6.539947 2320.515       138.4637 2319.000       196.7852 2322.000       194.8635 215.2420 9.362661 215.4322 9.262527 -0.1902618     13.17019 
1 1 1 -3  16 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  16 32 o 94.94887 5.097339 446.1703       47.20029 470.9000       69.32500 424.8000       64.44446 96.98176 7.357773 92.12918 7.203547 4.852577       10.29699 
1 1 1 -3  16 33 o 173.7298 3.816338 1485.174       64.89742 1492.248       74.14325 1462.000       134.2009 173.9470 4.358034 170.6065 8.059033 3.340530       9.161903 
1 1 1 -3  16 34 o 134.7194 3.292025 892.3528       43.41097 862.0900       48.21206 1022.000       99.78907 132.2782 3.727299 142.7872 7.162697 -10.50894      8.074466 
1 1 1 -3  16 35 o 42.36509 3.286190 88.82208       13.52073 91.26431       14.15749 63.49000       45.59624 42.93099 3.396724 35.24011 11.50149 7.690880       11.99258 
1 1 1 -3  16 36 o 47.10393 3.401766 109.8438       15.57874 109.8438       15.57874 0.000000       0.000000 47.10393 3.401766 ?        ?        ?              ?        
1 1 1 -3  16 37 o 192.2528 4.141031 1827.690       77.92691 1806.186       88.48648 1902.000       164.4929 190.8163 4.737566 192.5573 8.750188 -1.741028      9.950393 
1 1 1 -3  16 38 o 81.14467 3.278727 325.0668       25.98820 329.8617       28.91310 304.9000       59.29587 81.66342 3.626146 76.95909 7.987545 4.704330       8.772104 
1 1 1 -3  16 39 o 71.30522 3.334560 251.3526       23.20927 244.3660       25.39964 286.7000       57.13113 70.22174 3.708447 74.50451 7.957040 -4.282768      8.778786 
1 1 1 -3  16 40 o 24.20234 5.991127 30.59176       14.11629 26.07473       14.81043 75.42000       46.65699 22.44107 6.418930 37.13871 11.58261 -14.69764      13.24234 
1 1 1 -3  16 41 o 105.8386 3.164842 553.3066       32.75022 534.7502       36.17203 637.7000       77.13997 103.9201 3.561306 111.6236 7.096955 -7.703484      7.940382 
1 1 1 -3  16 42 o 12.96397 5.815499 -6.253498      15.30020 -6.253498      15.30020 0.000000       0.000000 12.96397 5.815499 ?        ?        ?              ?        
1 1 1 -3  16 43 o 68.31367 6.427930 240.2875       42.47670 215.3000       61.14065 263.6000       59.05584 62.26049 10.39907 70.13583 8.795225 -7.875343      13.61971 
1 1 1 -3  16 44 o 76.95593 3.562278 294.8969       26.76063 281.9243       29.37495 358.2000       64.88961 75.06779 4.012342 81.96960 8.197382 -6.901810      9.126662 
1 1 1 -3  16 45 o 55.24350 3.683173 152.6372       19.80258 151.6222       21.56395 158.1000       50.02650 54.94041 4.038080 52.88383 10.03123 2.056580       10.81350 
1 1 1 -3  16 46 o 28.01315 6.096494 41.79997       16.24073 32.06912       17.47841 103.3000       43.94042 24.42217 6.969150 41.94716 10.67637 -17.52499      12.74966 
1 1 1 -3  16 47 o 38.64552 4.694561 76.43565       17.39445 77.21978       18.94322 72.22000       43.92298 38.68689 5.128681 34.92418 11.28024 3.762714       12.39141 
1 1 1 -3  16 48 f 32.75055 6.799192 57.95845       21.08224 57.95845       21.08224 0.000000       0.000000 32.75055 6.799192 ?        ?        ?              ?        
1 1 1 -3  16 49 o 55.38531 6.834433 163.4355       36.26619 148.5000       52.46731 177.1000       50.18505 49.64776 11.07799 55.67183 9.553305 -6.024063      14.62831 
1 1 1 -3  16 50 o 53.94257 4.829583 149.1549       25.23089 147.5000       29.74512 153.4000       47.63981 53.11163 5.816657 51.35301 9.835598 1.758614       11.42683 
1 1 1 -3  16 51 o 22.26174 7.101644 26.61071       17.44751 26.21859       19.20844 28.46000       41.71408 22.27182 7.472648 25.78359 10.50322 -3.511770      12.89023 
1 1 1 -3  16 52 o 33.75983 7.935040 64.66998       25.77565 48.73932       31.37262 97.76000       45.21498 28.92598 9.545815 39.29367 11.20784 -10.36770      14.72203 
1 1 1 -3  16 53 o 15.23821 6.966479 -10.82468      23.24129 -14.65094      28.44479 -3.140000      40.31144 16.49821 7.602877 21.05844 9.443634 -4.560226      12.12378 
1 1 1 -3  16 54 o 49.94797 5.437124 130.5846       26.15380 126.5755       31.77875 139.0000       46.04169 48.23093 6.930145 48.03042 10.11349 0.2005081      12.26008 
1 1 1 -3  16 55 o 22.40738 8.379649 24.65722       24.74356 29.48056       30.21161 14.83000       43.12362 24.24315 9.216633 23.76047 10.23296 0.4826870      13.77171 
1 1 1 -3  16 56 o 47.23780 6.209389 119.5924       28.01622 147.8705       34.33138 63.22000       48.47287 52.08646 6.903631 31.72577 11.75475 20.36069       13.63211 
1 1 1 -3  16 57 f 59.64034 3.939647 180.5964       22.86990 207.1933       25.62254 76.38000       50.71948 63.78800 4.125844 33.97519 12.10504 29.81281       12.78884 
1 1 1 -3  16 58 o 31.98761 6.126989 55.78065       18.48557 56.22688       20.07946 53.30000       47.34337 31.84257 6.656856 29.63436 11.46817 2.208212       13.26019 
1 1 1 -3  16 59 f 26.55527 7.480361 40.63347       20.26876 33.91815       22.57064 68.61000       46.06886 24.37721 8.098661 32.00214 11.52083 -7.624929      14.08254 
1 1 1 -3  17 1  o 339.2850 7.541575 5648.380       250.4568 0.000000       0.000000 5648.380       250.4568 ?        ?        339.2850 7.541575 ?              ?        
1 1 1 -3  17 2  o 437.0555 16.68860 9481.000       712.6298 0.000000       0.000000 9481.000       712.6298 ?        ?        437.0555 16.68860 ?              ?        
1 1 1 -3  17 3  o 646.5803 12.09218 20599.87       765.3026 18640.00       1420.233 21401.80       908.4818 608.6890 23.88371 658.2464 14.10008 -49.55743      27.73524 
1 1 1 -3  17 4  o 279.4192 5.480340 3826.555       149.8891 3488.000       282.3582 3959.392       176.8671 265.9991 10.86750 284.1577 6.358890 -18.15860      12.59118 
1 1 1 -3  17 5  o 265.8088 6.067935 3464.137       157.8762 3273.000       263.6588 3570.977       197.1219 257.7053 10.47415 269.6488 7.475658 -11.94357      12.86830 
1 1 1 -3  17 6  o 279.0781 5.471127 3817.547       149.4544 3833.000       299.7458 3812.434       172.4149 278.7885 11.00592 278.8210 6.317472 -0.3250122E-01 12.69018 
1 1 1 -3  17 7  o 493.5678 9.264355 11976.63       447.5775 11200.00       854.5822 12270.19       525.4002 473.7905 18.46262 499.1891 10.75274 -25.39865      21.36562 
1 1 1 -3  17 8  o 242.1708 4.860223 2874.013       115.2084 2642.000       219.1147 2962.661       135.4415 231.5406 9.689449 245.8224 5.628905 -14.28183      11.20580 
1 1 1 -3  17 9  o 167.1318 4.321805 1369.487       70.64246 1502.000       129.0072 1312.737       84.42484 174.7310 7.560787 163.5580 5.280340 11.17300       9.222119 
1 1 1 -3  17 10 o 69.47742 3.955629 237.2384       26.78967 306.7000       49.96658 209.2157       31.73674 78.78957 6.537766 65.13946 5.016114 13.65011       8.240376 
1 1 1 -3  17 11 o 245.6010 4.895928 2956.784       117.6986 3130.000       245.9154 2905.315       134.0492 251.8722 9.994528 243.3926 5.626660 8.479584       11.46952 
1 1 1 -3  17 12 o 125.4411 4.574162 772.2543       56.06990 778.5000       82.52914 766.9000       76.41319 125.7464 6.729616 124.8524 6.272760 0.8940048      9.199742 
1 1 1 -3  17 13 o 157.2596 5.002790 1213.767       76.91000 0.000000       0.000000 1213.767       76.91000 ?        ?        157.2596 5.002790 ?              ?        
1 1 1 -3  17 14 o 153.6309 5.001621 1158.557       75.11323 0.000000       0.000000 1158.557       75.11323 ?        ?        153.6309 5.001621 ?              ?        
1 1 1 -3  17 15 o 391.7694 7.443006 7545.193       285.4204 7160.000       552.4023 7685.480       333.3678 378.8270 14.92654 395.0953 8.620164 -16.26831      17.23685 
1 1 1 -3  17 16 o 366.0917 9.981664 6620.396       357.3498 6469.000       497.3250 6782.000       513.8163 360.2125 14.13250 368.7746 14.26133 -8.562134      20.07768 
1 1 1 -3  17 17 o 220.5618 6.509009 2392.057       140.3705 2421.000       200.0759 2364.000       196.9880 221.3677 9.254080 218.7491 9.220668 2.618530       13.06364 
1 1 1 -3  17 18 o 94.94263 7.079710 445.7000       65.31985 445.7000       65.31985 0.000000       0.000000 94.94263 7.079710 ?        ?        ?              ?        
1 1 1 -3  17 19 o 302.0312 12.02708 4536.000       354.8536 4536.000       354.8536 0.000000       0.000000 302.0312 12.02708 ?        ?        ?              ?        
1 1 1 -3  17 20 o 194.0005 6.020813 1850.714       114.1927 1777.000       158.1535 1931.000       165.0529 189.6378 8.542089 197.6983 8.549524 -8.060532      12.08560 
1 1 1 -3  17 21 f 68.41544 8.126486 233.9000       53.35863 0.000000       0.000000 233.9000       53.35863 ?        ?        68.41544 8.126486 ?              ?        
1 1 1 -3  17 22 o 287.2532 11.52811 4107.000       323.4791 0.000000       0.000000 4107.000       323.4791 ?        ?        287.2532 11.52811 ?              ?        
1 1 1 -3  17 23 o 89.93841 5.176683 398.5111       45.37997 337.3000       63.87335 460.9000       64.48495 82.30508 8.030449 96.51868 6.870521 -14.21360      10.56845 
1 1 1 -3  17 24 o 215.5806 6.490406 2289.510       136.8021 2281.000       193.5783 2298.000       193.3567 214.4613 9.243202 215.2743 9.197351 -0.8130798     13.03948 
1 1 1 -3  17 25 o 170.9101 5.668706 1437.864       94.70144 1273.000       126.1171 1651.000       143.3969 160.3212 8.062561 182.6353 8.041083 -22.31412      11.38701 
1 1 1 -3  17 26 o 394.0203 10.83451 7748.673       417.4666 7951.000       601.8011 7561.000       579.5984 395.0611 15.59324 385.4292 15.39398 9.631897       21.91172 
1 1 1 -3  17 27 o 52.71285 7.517877 140.0568       37.69199 116.1000       55.99894 159.9000       50.96500 47.19670 12.07407 55.93027 9.658403 -8.733566      15.46182 
1 1 1 -3  17 28 o 140.8572 5.286871 977.9904       72.76333 890.6000       100.5668 1074.000       105.4097 133.8646 7.707663 147.1431 7.341902 -13.27841      10.64479 
1 1 1 -3  17 29 o 119.2234 5.116673 701.2852       59.57217 669.7000       84.77269 732.1000       83.73249 115.9645 7.508716 121.3813 7.078227 -5.416794      10.31902 
1 1 1 -3  17 30 o 157.6624 5.463962 1227.981       84.19478 1287.000       123.0341 1176.000       115.4648 160.6253 7.849143 153.5791 7.705503 7.046188       10.99926 
1 1 1 -3  17 31 o 146.3548 5.330123 1059.192       76.22972 955.7000       104.4786 1177.000       111.4710 138.2138 7.753801 153.5551 7.438498 -15.34137      10.74489 
1 1 1 -3  17 32 f 107.9441 5.108362 576.9976       53.82114 567.6000       77.85378 585.6000       74.48698 106.3366 7.528485 108.1742 7.073584 -1.837578      10.33023 
1 1 1 -3  17 33 o 54.31474 7.019209 149.6510       36.44574 109.0000       53.24011 185.5000       49.99678 45.05174 11.89851 60.03282 8.766952 -14.98108      14.77951 
1 1 1 -3  17 34 o 170.9682 5.727729 1454.530       95.71732 1583.000       142.5311 1349.000       129.1808 176.8148 8.258216 163.2961 8.107298 13.51869       11.57266 
1 1 1 -3  17 35 o 83.87412 8.137147 359.7000       65.96619 359.7000       65.96619 0.000000       0.000000 83.87412 8.137147 ?        ?        ?              ?        
1 1 1 -3  17 36 o 29.66772 9.901133 43.93713       33.72774 52.60000       51.29642 37.34000       44.76448 33.44403 12.14096 29.82437 11.24603 3.619659       16.54921 
1 1 1 -3  17 37 o 89.58730 7.444093 409.5000       64.68844 0.000000       0.000000 409.5000       64.68844 ?        ?        89.58730 7.444093 ?              ?        
1 1 1 -3  17 38 o 46.47677 8.635510 114.3179       37.83955 115.6000       58.58008 113.4000       49.56820 45.29974 12.70159 45.31677 11.23178 -0.1703262E-01 16.95534 
1 1 1 -3  17 39 o 89.07259 5.606668 398.9285       48.63471 388.9000       71.87068 407.4000       66.05633 86.40805 8.612064 89.01066 7.656006 -2.602608      11.52311 
1 1 1 -3  17 40 o 69.78670 2.854417 240.3461       19.45712 228.6692       20.66197 331.8000       57.82415 68.01397 3.111857 80.22738 7.448497 -12.21341      8.072408 
1 1 1 -3  17 41 o 27.82165 4.270022 39.35147       11.25753 35.34697       11.57754 108.8000       48.21404 26.24268 4.678760 43.91221 11.18727 -17.66953      12.12625 
1 1 1 -3  17 42 o 45.38141 9.034152 112.2730       38.71890 61.34000       55.69892 159.9000       53.86092 34.27449 12.61801 53.41389 10.67536 -19.13940      16.52808 
1 1 1 -3  17 43 o 110.7888 3.167288 608.2107       34.31182 592.5878       37.66158 684.5000       83.22420 109.1935 3.528305 114.4036 7.472867 -5.210144      8.263939 
1 1 1 -3  17 44 f 67.48668 3.078177 226.0785       20.28023 219.2106       21.65430 275.1000       57.85311 66.36752 3.344137 71.40449 8.440391 -5.036964      9.078736 
1 1 1 -3  17 45 o 34.86168 4.450149 61.99391       14.83975 65.80692       15.71135 30.46000       45.18230 35.89280 4.575885 27.36385 11.00880 8.528942       11.92193 
1 1 1 -3  17 46 f 60.84323 3.218688 184.3845       19.10071 193.8746       20.75888 132.0000       48.77215 62.32573 3.415812 47.40381 10.75846 14.92192       11.28770 
1 1 1 -3  17 47 o 28.52864 5.429109 42.81670       14.60687 42.81670       14.60687 0.000000       0.000000 28.52864 5.429109 ?        ?        ?              ?        
1 1 1 -3  17 48 o 24.95148 5.773818 33.27657       13.82178 25.49607       14.57574 102.7000       43.53915 21.84849 6.403539 41.39949 10.67543 -19.55100      12.44870 
1 1 1 -3  17 49 o 101.4276 3.515495 514.6274       34.84911 532.5758       40.72046 465.5000       67.36932 102.8181 4.054048 93.01188 7.462321 9.806244       8.492440 
1 1 1 -3  17 50 o 64.21159 3.329219 206.3777       20.85338 197.3156       22.77041 253.5000       51.92427 62.60373 3.732854 67.85219 7.969859 -5.248459      8.800730 
1 1 1 -3  17 51 o 62.90732 3.399927 198.5028       20.85740 198.8372       22.93072 196.9000       50.19570 62.79743 3.747569 58.63940 9.034976 4.158028       9.781363 
1 1 1 -3  17 52 o 27.93897 5.956496 42.17226       15.79159 43.83204       17.04073 32.08000       42.02012 28.35781 6.302610 26.28358 10.60164 2.074221       12.33360 
1 1 1 -3  17 53 o 13.90266 5.942514 1.425060       14.34009 -4.302780      15.35294 40.59000       40.14622 13.11371 5.858253 27.46899 10.57906 -14.35528      12.09279 
1 1 1 -3  17 54 o 51.83825 3.785901 136.0537       19.07748 147.7779       21.00220 80.74000       45.61842 53.92976 4.007235 35.34038 11.50226 18.58937       12.18030 
1 1 1 -3  17 55 o 28.05143 6.168528 42.91470       16.47541 45.59970       17.72070 25.80000       44.73972 28.81701 6.444219 25.49316 10.67596 3.323851       12.47013 
1 1 1 -3  17 56 o 59.42404 3.743904 178.7058       21.66607 202.2524       23.92601 71.43000       51.06893 63.14994 3.889588 33.04548 12.09600 30.10446       12.70599 
1 1 1 -3  17 57 o 40.67387 4.852961 86.24387       18.94024 86.15354       20.56103 86.75000       48.67006 40.40657 5.328337 35.85822 11.89182 4.548351       13.03098 
1 1 1 -3  17 58 o 28.83403 6.945069 46.92786       19.36696 42.52053       21.43691 66.50000       45.17451 27.12578 7.710680 31.80789 11.41373 -4.682116      13.77417 
1 1 1 -3  17 59 o 54.11971 3.928198 149.6721       20.66753 150.1945       22.66950 147.1000       50.30055 53.97412 4.327139 47.33770 11.05670 6.636425       11.87328 
1 1 1 -3  18 1  f 331.1177 7.386527 5382.161       239.4026 0.000000       0.000000 5382.161       239.4026 ?        ?        331.1177 7.386527 ?              ?        
1 1 1 -3  18 2  o 213.8661 4.425721 2240.976       92.64716 2167.000       181.1181 2267.192       107.8213 209.7788 8.840332 215.0734 5.121671 -5.294601      10.21680 
1 1 1 -3  18 3  o 321.4475 7.172657 5071.877       225.6817 4784.000       375.5736 5234.569       282.3403 311.0581 12.35984 326.1947 8.850979 -15.13663      15.20215 
1 1 1 -3  18 4  f 223.9657 5.283019 2458.921       115.8163 2534.000       203.8870 2423.154       140.7246 226.8013 9.203239 222.1463 6.478717 4.654968       11.25493 
1 1 1 -3  18 5  o 218.8418 4.480843 2346.705       95.98344 2300.000       190.1422 2362.676       111.1901 216.0740 9.009978 219.5413 5.174203 -3.467300      10.39000 
1 1 1 -3  18 6  o 286.4313 5.598698 4023.070       156.9689 3971.000       311.5704 4040.782       181.7147 283.5229 11.24928 286.9682 6.469194 -3.445282      12.97678 
1 1 1 -3  18 7  o 160.1546 3.609840 1256.372       56.58921 1295.000       116.5818 1244.466       64.72588 162.2188 7.361337 159.3184 4.154096 2.900436       8.452560 
1 1 1 -3  18 8  o 193.7090 4.078913 1838.476       77.33934 1963.000       162.4606 1801.987       87.94375 199.6394 8.332039 191.7431 4.685750 7.896317       9.559242 
1 1 1 -3  18 9  o 299.7532 5.827099 4407.863       170.9710 4208.000       332.5542 4479.669       199.3316 291.6189 11.67399 302.0645 6.741713 -10.44562      13.48082 
1 1 1 -3  18 10 o 105.3196 3.021051 543.6716       31.11176 606.0000       68.87134 527.6913       34.87275 110.9320 6.369496 103.7359 3.439155 7.196114       7.238665 
1 1 1 -3  18 11 o 275.3235 5.398487 3717.988       145.4861 3894.000       301.8204 3664.712       166.0506 280.5933 11.01055 273.2481 6.208364 7.345245       12.64025 
1 1 1 -3  18 12 o 270.0398 5.310071 3576.703       140.3571 3558.000       281.6390 3582.883       161.8936 268.2162 10.74935 270.1757 6.121770 -1.959534      12.37031 
1 1 1 -3  18 13 o 271.7711 5.340773 3623.230       142.0737 3963.000       303.5837 3527.948       160.7651 282.9595 10.98179 268.0751 6.126734 14.88440       12.57524 
1 1 1 -3  18 14 o 188.9000 3.993035 1748.805       73.83142 1987.000       162.6980 1687.033       82.85365 200.7253 8.298727 185.4945 4.563251 15.23082       9.470592 
1 1 1 -3  18 15 o 112.1049 3.582023 616.4140       39.25559 800.8000       81.31809 560.3888       44.82444 127.5032 6.537508 106.8304 4.295368 20.67285       7.822352 
1 1 1 -3  18 16 o 18.25346 5.701866 16.19768       11.30198 0.000000       0.000000 16.19768       11.30198 ?        ?        18.25346 5.701866 ?              ?        
1 1 1 -3  18 17 o 162.1361 7.693513 1297.000       121.7503 1297.000       121.7503 0.000000       0.000000 162.1361 7.693513 ?        ?        ?              ?        
1 1 1 -3  18 18 o 174.7101 8.046813 1507.000       137.2399 1507.000       137.2399 0.000000       0.000000 174.7101 8.046813 ?        ?        ?              ?        
1 1 1 -3  18 19 o 141.3216 5.143481 981.5250       71.03081 934.3000       98.82249 1032.000       102.1664 137.5712 7.365599 144.6249 7.240058 -7.053680      10.32814 
1 1 1 -3  18 20 o 225.7163 9.476723 2523.000       208.9104 0.000000       0.000000 2523.000       208.9104 ?        ?        225.7163 9.476723 ?              ?        
1 1 1 -3  18 21 o 349.9926 13.79796 6141.000       471.7677 0.000000       0.000000 6141.000       471.7677 ?        ?        349.9926 13.79796 ?              ?        
1 1 1 -3  18 22 o 185.7291 5.908005 1697.584       107.2690 1665.000       150.7547 1731.000       152.6658 183.4163 8.419512 187.0380 8.359969 -3.621750      11.86496 
1 1 1 -3  18 23 o 284.8583 8.060284 4009.943       224.5166 3995.000       316.9168 4025.000       318.1155 282.9372 11.46700 283.9991 11.46716 -1.061920      16.21690 
1 1 1 -3  18 24 o 155.9789 5.417341 1197.430       82.58447 1148.000       115.0353 1250.000       118.6319 152.2740 7.743318 158.9329 7.648177 -6.658920      10.88364 
1 1 1 -3  18 25 o 198.3034 6.190769 1938.726       120.0186 2040.000       175.6303 1850.000       164.3905 202.6498 8.875682 193.0128 8.723859 9.637024       12.44522 
1 1 1 -3  18 26 o 266.7533 7.681877 3523.517       200.3691 3631.000       289.7402 3425.000       277.3924 269.1503 11.02116 261.4804 10.86165 7.669891       15.47390 
1 1 1 -3  18 27 o 126.1083 5.244819 784.1702       64.59982 666.3000       88.39264 919.3000       94.64323 115.6747 7.853339 136.1462 7.126769 -20.47152      10.60499 
1 1 1 -3  18 28 o 97.15826 5.263013 466.4321       49.86502 554.2000       75.80957 399.5000       66.20232 105.4681 7.390159 89.40607 7.637927 16.06206       10.62790 
1 1 1 -3  18 29 o 91.54485 5.239090 414.5957       46.74968 388.2000       66.82318 439.9000       65.42699 87.98289 7.841385 93.87609 7.174617 -5.893196      10.62838 
1 1 1 -3  18 30 o 108.5824 5.163586 583.2419       54.72311 602.3000       79.52351 566.1000       75.41980 109.7230 7.448585 106.4105 7.284876 3.312485       10.41877 
1 1 1 -3  18 31 o 103.4123 5.163471 529.8080       52.10076 575.4000       77.10462 491.5000       70.67741 107.1125 7.399655 98.97552 7.347769 8.136971       10.42807 
1 1 1 -3  18 32 o 89.13210 5.359755 394.8827       46.54512 340.2000       66.43540 447.6000       65.23062 81.76961 8.420703 94.38227 7.113165 -12.61266      11.02295 
1 1 1 -3  18 33 o 46.30825 8.100315 111.0571       35.38049 79.07000       52.48470 137.7000       47.90013 38.83688 12.30874 51.09005 9.936274 -12.25317      15.81881 
1 1 1 -3  18 34 o 156.5679 8.059323 1245.000       123.0959 1245.000       123.0959 0.000000       0.000000 156.5679 8.059323 ?        ?        ?              ?        
1 1 1 -3  18 35 o 103.6831 5.218097 535.8806       52.78713 510.1000       76.77039 559.0000       72.70033 99.98136 7.908937 105.0952 7.109035 -5.113823      10.63436 
1 1 1 -3  18 36 o 74.76822 8.074483 288.0000       58.15706 0.000000       0.000000 288.0000       58.15706 ?        ?        74.76822 8.074483 ?              ?        
1 1 1 -3  18 37 f 76.66702 5.967823 296.4932       44.43229 278.7000       66.17503 311.1000       59.95754 72.68428 9.530781 77.64714 8.003342 -4.962860      12.44545 
1 1 1 -3  18 38 o 68.67173 6.450355 239.8335       42.85021 240.0000       64.22530 239.7000       57.52545 66.94310 10.11685 67.53203 8.920443 -0.5889282     13.48796 
1 1 1 -3  18 39 o 120.2520 5.351635 725.6195       62.83413 803.7000       95.40174 665.8000       83.50385 124.8317 7.847443 113.8060 7.538585 11.02570       10.88176 
1 1 1 -3  18 40 o 35.18675 9.930269 67.90105       35.68499 55.89000       53.04592 77.83000       48.22958 33.50985 12.31769 37.39731 11.79246 -3.887466      17.05250 
1 1 1 -3  18 41 o 63.62563 6.724308 209.0509       41.24514 172.2000       58.90327 244.5000       57.77207 55.16783 11.28879 67.57608 8.954269 -12.40825      14.40887 
1 1 1 -3  18 42 o 48.44170 8.635259 127.3108       39.44327 58.54000       55.71692 196.4000       55.84572 33.55168 12.56887 59.57303 9.926193 -26.02135      16.01579 
1 1 1 -3  18 43 o 70.01771 6.185925 253.2766       41.95977 257.3000       59.89903 249.4000       58.79647 68.52792 9.159015 67.47236 9.137258 1.055565       12.93743 
1 1 1 -3  18 44 o 57.16307 6.881962 172.0507       37.73280 208.2000       55.55783 141.1000       51.40793 61.06203 9.612842 49.14168 10.96597 11.92036       14.58284 
1 1 1 -3  18 45 o 53.86147 7.043145 154.0280       36.24352 142.6000       54.48232 163.1000       48.54252 48.71737 11.59377 53.78244 9.571832 -5.065079      15.03448 
1 1 1 -3  18 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  18 47 o 31.22031 9.845599 56.17529       33.61858 58.48000       50.56940 54.35000       45.00354 32.09001 11.98376 31.07705 11.35825 1.012953       16.51122 
1 1 1 -3  18 48 o 18.94238 8.846061 -25.73000      40.50521 0.000000       0.000000 -25.73000      40.50521 ?        ?        18.94238 8.846061 ?              ?        
1 1 1 -3  18 49 o 44.01308 4.486355 99.10003       19.05782 77.21745       20.70953 220.1000       48.69827 38.28537 5.699785 63.17453 8.058463 -24.88916      9.870480 
1 1 1 -3  18 50 o 52.98355 7.224583 152.9990       36.49294 108.4000       54.90210 188.3000       48.84494 40.31896 12.56287 57.35588 8.995961 -17.03691      15.45164 
1 1 1 -3  18 51 o 48.02225 7.652686 127.9787       34.76557 90.09000       51.76978 159.1000       46.91920 36.88802 12.26564 52.02897 9.565335 -15.14096      15.55447 
1 1 1 -3  18 52 o 45.41292 7.805822 115.1987       33.44765 124.5000       49.02669 107.1000       45.74761 44.35850 11.27051 41.18246 11.09933 3.176041       15.81833 
1 1 1 -3  18 53 o 25.62456 9.345937 35.58168       30.44646 63.82000       44.24813 10.19000       41.95862 31.99207 11.31561 22.94068 9.985918 9.051390       15.09177 
1 1 1 -3  18 54 o 38.34307 8.919586 86.38064       32.84330 145.7000       49.60511 40.08000       43.82498 48.44732 10.74230 27.59165 10.92766 20.85567       15.32353 
1 1 1 -3  18 55 o 22.08574 9.075730 18.07637       31.48624 45.69000       46.06248 -6.142000      43.13780 28.57086 11.23793 21.12164 9.592058 7.449224       14.77493 
1 1 1 -3  18 56 o 63.67700 6.431973 217.9354       39.54074 290.3000       56.10061 146.5000       55.73924 71.74337 8.132018 46.91228 12.06951 24.83109       14.55345 
1 1 1 -3  18 57 o 31.47280 11.50531 64.18000       46.18010 0.000000       0.000000 64.18000       46.18010 ?        ?        31.47280 11.50531 ?              ?        
1 1 1 -3  18 58 o 30.49123 9.693372 58.16071       32.52900 18.10000       44.90353 102.4000       47.18731 23.86279 10.35939 38.64520 11.57176 -14.78240      15.53135 
1 1 1 -3  19 1  o 369.4157 8.155112 6708.975       294.8842 6642.000       507.0932 6743.195       362.4736 365.6456 14.19538 369.8015 10.02310 -4.155914      17.37733 
1 1 1 -3  19 2  o 287.5962 6.512558 4059.717       183.3331 4006.000       314.4828 4087.371       225.6420 284.6433 11.30980 288.2525 8.004999 -3.609192      13.85611 
1 1 1 -3  19 3  o 92.98418 3.177743 423.9380       28.87988 444.4000       59.89593 417.7398       32.96492 94.93359 6.484653 92.27308 3.657058 2.660507       7.444784 
1 1 1 -3  19 4  f 147.1330 4.990362 1062.549       71.76612 1023.000       100.3220 1104.000       102.7052 144.1464 7.132422 149.7705 7.025414 -5.624130      10.01139 
1 1 1 -3  19 5  o 451.7287 9.880324 10056.45       436.8729 10620.00       784.1467 9802.795       526.0840 460.5578 17.42573 445.0734 12.08703 15.48441       21.20736 
1 1 1 -3  19 6  o 120.2564 3.183316 708.7875       37.43796 743.1000       78.25222 698.6023       42.63386 122.8592 6.530488 119.3614 3.653392 3.497864       7.482950 
1 1 1 -3  19 7  o 174.6227 4.436898 1495.515       75.77648 1548.000       134.6840 1471.206       91.66000 177.2810 7.780482 173.1073 5.416180 4.173767       9.480027 
1 1 1 -3  19 8  o 172.2095 4.399211 1454.498       74.09390 1423.000       127.8569 1470.425       90.91636 169.9590 7.705576 173.0604 5.373591 -3.101456      9.394221 
1 1 1 -3  19 9  o 201.1033 4.197705 1982.051       82.62992 2180.000       176.7909 1926.722       93.46722 210.2688 8.607918 198.2332 4.817001 12.03558       9.864063 
1 1 1 -3  19 10 o 207.5485 6.120953 2116.480       124.2139 2135.000       178.2598 2099.000       173.1803 208.0291 8.774035 206.2980 8.595074 1.731171       12.28247 
1 1 1 -3  19 11 o 304.3071 5.909400 4545.635       176.0199 4850.000       369.0821 4456.027       200.2613 312.6291 12.08387 301.1487 6.793756 11.48044       13.86272 
1 1 1 -3  19 12 o 189.4297 4.021212 1758.728       74.56094 1708.000       149.5724 1775.502       86.00937 186.0719 8.232674 190.2873 4.617743 -4.215347      9.439304 
1 1 1 -3  19 13 o 148.8659 3.434011 1085.774       50.03838 1199.000       109.8746 1056.146       56.20521 155.9816 7.215991 146.7448 3.916481 9.236847       8.210320 
1 1 1 -3  19 14 o 263.9267 5.213327 3418.085       134.6805 3451.000       273.9309 3407.592       154.6650 263.8989 10.62640 263.4095 5.998663 0.4894409      12.20264 
1 1 1 -3  19 15 o 176.5985 3.822693 1528.569       66.07886 1723.000       146.0745 1478.546       74.09328 186.8643 8.004778 173.5918 4.364031 13.27252       9.117085 
1 1 1 -3  19 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  19 17 o 119.4284 4.966994 701.1138       57.93736 703.6000       82.54816 698.7000       81.33685 119.3707 7.096892 118.9648 7.016093 0.4059143      9.979551 
1 1 1 -3  19 18 o 139.2451 5.128956 953.0019       69.78667 934.8000       98.29733 971.5000       99.09399 137.6011 7.324552 140.2973 7.240415 -2.696182      10.29916 
1 1 1 -3  19 19 o 196.2036 8.591894 1904.000       164.6068 0.000000       0.000000 1904.000       164.6068 ?        ?        196.2036 8.591894 ?              ?        
1 1 1 -3  19 20 o 96.43631 5.289624 458.1140       49.73994 428.8000       72.05391 484.8000       68.74827 92.89359 8.002313 98.95726 7.145664 -6.063667      10.72835 
1 1 1 -3  19 21 o 113.5272 5.080673 634.2321       56.31521 652.8000       81.04894 616.9000       78.30537 114.8615 7.245786 111.6531 7.203411 3.208374       10.21717 
1 1 1 -3  19 22 o 223.8613 6.683005 2470.425       146.2751 2317.000       199.4475 2649.000       215.1751 216.0103 9.455867 230.9662 9.538342 -14.95589      13.43106 
1 1 1 -3  19 23 f 139.8505 5.221375 962.6570       71.34968 1022.000       103.7977 909.5000       98.23895 143.6983 7.404523 135.5310 7.433700 8.167252       10.49223 
1 1 1 -3  19 24 o 266.8871 7.672520 3524.360       200.2262 3574.000       286.5490 3477.000       279.8934 267.2493 10.97745 263.6488 10.86908 3.600464       15.44802 
1 1 1 -3  19 25 o 47.23705 8.256496 113.7350       36.78649 152.3000       54.81332 82.13000       49.62122 54.29599 10.69431 40.07846 11.83353 14.21753       15.94994 
1 1 1 -3  19 26 o 107.5959 5.116112 571.0940       53.72744 573.2000       78.07922 569.2000       74.04533 107.3167 7.479778 107.0261 7.108372 0.2906876      10.31872 
1 1 1 -3  19 27 o 79.71739 5.585857 314.9313       43.31037 290.1000       61.60403 339.2000       60.90223 75.87882 8.436831 82.31512 7.646116 -6.436302      11.38610 
1 1 1 -3  19 28 o 121.3422 5.143022 727.3060       60.94673 753.4000       87.76247 703.0000       84.70233 122.9282 7.326997 118.7319 7.323868 4.196289       10.35973 
1 1 1 -3  19 29 o 160.8615 5.557439 1280.705       87.37360 1292.000       125.2560 1270.000       121.9406 160.6207 7.992030 159.3105 7.843954 1.310181       11.19822 
1 1 1 -3  19 30 o 133.8912 5.284308 887.8558       69.11823 835.6000       97.52144 940.6000       97.97604 129.0045 7.758916 137.0788 7.328664 -8.074341      10.67287 
1 1 1 -3  19 31 o 126.1690 5.219003 789.3848       64.31432 756.5000       91.56970 821.4000       90.35091 122.5838 7.669982 127.9416 7.244239 -5.357758      10.55024 
1 1 1 -3  19 32 o 101.6745 7.679413 522.8000       75.86187 522.8000       75.86187 0.000000       0.000000 101.6745 7.679413 ?        ?        ?              ?        
1 1 1 -3  19 33 o 89.96545 8.035721 412.9000       70.01889 412.9000       70.01889 0.000000       0.000000 89.96545 8.035721 ?        ?        ?              ?        
1 1 1 -3  19 34 o 69.82099 5.956513 245.2358       40.32005 286.1000       61.03802 213.6000       53.70549 74.45165 8.529484 64.10452 8.790264 10.34714       12.24830 
1 1 1 -3  19 35 f 87.32265 7.444978 389.0000       63.02876 0.000000       0.000000 389.0000       63.02876 ?        ?        87.32265 7.444978 ?              ?        
1 1 1 -3  19 36 o 55.10945 7.378725 156.6685       38.80352 115.6000       58.72271 188.5000       51.69883 45.33008 12.71953 59.78680 9.122717 -14.45672      15.65281 
1 1 1 -3  19 37 o 131.1077 5.367085 860.6655       68.73118 956.7000       104.1593 786.6000       91.47289 136.5371 7.826439 123.9508 7.575585 12.58636       10.89232 
1 1 1 -3  19 38 o 82.72327 5.746060 345.4006       46.23771 353.5000       69.59358 339.0000       61.86634 82.06587 8.800959 80.86678 7.917216 1.199089       11.83804 
1 1 1 -3  19 39 o 122.3886 5.332610 752.5515       63.72992 761.9000       92.48801 744.1000       87.93938 121.3622 7.827407 120.1853 7.512828 1.176903       10.84947 
1 1 1 -3  19 40 o 56.76748 7.438428 168.6385       40.33865 104.1000       58.02602 229.0000       56.11681 42.16611 12.87663 65.36946 9.009600 -23.20335      15.71561 
1 1 1 -3  19 41 o 81.83002 5.821019 341.5709       46.32048 313.3000       65.13342 370.5000       65.88718 76.35495 8.880364 83.66474 8.148617 -7.309792      12.05242 
1 1 1 -3  19 42 o 47.97074 8.458796 125.3588       38.26735 130.1000       54.96827 120.9000       53.30639 46.68366 11.97277 45.01075 11.91446 1.672916       16.89088 
1 1 1 -3  19 43 o 47.54826 8.004052 122.5177       35.93031 152.0000       52.27650 96.12000       49.46616 51.22977 10.76756 40.00044 11.81620 11.22933       15.98634 
1 1 1 -3  19 44 o 47.06917 7.995546 120.7281       35.52110 147.9000       51.77172 96.56000       48.82641 50.21532 10.85022 39.88451 11.72839 10.33081       15.97756 
1 1 1 -3  19 45 o 62.45938 9.454786 219.3000       55.99755 219.3000       55.99755 0.000000       0.000000 62.45938 9.454786 ?        ?        ?              ?        
1 1 1 -3  19 46 o 55.23235 6.798855 161.9234       35.98185 231.2000       55.09530 110.4000       47.51423 64.39945 8.984533 42.66990 11.22678 21.72955       14.37923 
1 1 1 -3  19 47 o 76.21040 8.199934 318.3000       60.20762 0.000000       0.000000 318.3000       60.20762 ?        ?        76.21040 8.199934 ?              ?        
1 1 1 -3  19 48 o 52.47918 7.165936 148.7044       35.84950 109.0000       50.99488 187.5000       50.40791 41.45437 11.92773 57.31892 9.303185 -15.86456      15.12680 
1 1 1 -3  19 49 o 15.67021 7.450386 -30.65459      31.15524 -64.35000      48.41098 -6.833000      40.70464 17.83670 8.679297 20.77893 9.388767 -2.942225      12.78590 
1 1 1 -3  19 50 o 42.77085 8.558186 104.8241       34.57729 105.0000       53.75367 104.7000       45.16056 39.62072 12.44349 40.78183 11.04358 -1.161114      16.63734 
1 1 1 -3  19 51 o 30.39441 9.645249 54.85743       32.21909 56.74000       48.49652 53.37000       43.10742 30.87184 11.69100 30.08927 11.09647 0.7825680      16.11866 
1 1 1 -3  19 52 o 24.24189 9.288429 29.15525       30.83884 45.01000       44.52778 14.54000       42.75181 28.52032 11.09837 23.64712 10.18649 4.873201       15.06448 
1 1 1 -3  19 53 o 53.41340 6.951868 155.4814       35.48455 142.6000       50.85867 167.7000       49.53304 47.49902 11.13393 52.89260 9.932034 -5.393574      14.92011 
1 1 1 -3  19 54 f 34.32889 9.455477 71.07542       32.78134 122.6000       49.24666 30.08000       43.92758 43.57398 11.41278 25.96502 10.70007 17.60896       15.64426 
1 1 1 -3  19 55 o 25.34489 10.69673 25.37000       45.46542 25.37000       45.46542 0.000000       0.000000 25.34489 10.69673 ?        ?        ?              ?        
1 1 1 -3  19 56 o 23.57871 10.28834 13.80000       44.76691 0.000000       0.000000 13.80000       44.76691 ?        ?        23.57871 10.28834 ?              ?        
1 1 1 -3  19 57 o 36.05658 9.358639 79.90422       33.31365 61.49000       46.11652 100.0000       48.17617 30.74803 11.45160 38.13232 11.74943 -7.384291      16.40696 
1 1 1 -3  19 58 o 20.58427 8.745487 12.39602       30.73006 22.84000       44.07696 2.518000       42.86606 24.27878 10.39895 21.57153 9.700720 2.707251       14.22119 
1 1 1 -3  20 1  o 248.5236 5.758699 3030.602       140.0871 3048.000       243.5698 3022.002       171.2444 248.3884 10.03879 247.9107 7.064119 0.4776917      12.27514 
1 1 1 -3  20 2  o 184.4453 5.668628 1670.728       102.2200 0.000000       0.000000 1670.728       102.2200 ?        ?        184.4453 5.668628 ?              ?        
1 1 1 -3  20 3  o 181.3251 4.568652 1612.792       81.02262 1608.000       140.5650 1615.176       99.15113 180.6377 7.969531 181.3569 5.592122 -0.7191772     9.735771 
1 1 1 -3  20 4  o 309.2873 6.014279 4695.130       182.0757 4813.000       369.4014 4657.305       209.2608 311.5485 12.13663 307.8920 6.943577 3.656494       13.98253 
1 1 1 -3  20 5  o 286.5605 6.488716 4032.598       182.0041 3890.000       308.5670 4108.678       225.3858 280.2715 11.27070 288.8919 7.978127 -8.620453      13.80867 
1 1 1 -3  20 6  o 242.1792 6.931020 2884.209       164.1320 2818.000       229.1205 2954.000       235.2357 238.8061 9.822914 244.5038 9.849205 -5.697708      13.91030 
1 1 1 -3  20 7  o 254.7336 5.073228 3182.737       126.4960 3260.000       257.8874 3158.258       145.1581 256.7347 10.28298 253.6611 5.846301 3.073624       11.82873 
1 1 1 -3  20 8  o 297.7192 6.710977 4355.231       195.5685 4475.000       345.7577 4298.888       237.1492 300.3278 11.78458 295.3853 8.210093 4.942505       14.36251 
1 1 1 -3  20 9  o 177.3125 4.494173 1542.504       77.93726 1662.000       142.0199 1491.009       93.22990 183.5905 7.921653 174.2212 5.473778 9.369324       9.628854 
1 1 1 -3  20 10 o 279.7060 5.494913 3839.692       150.4419 4302.000       326.2392 3714.830       169.5450 294.5175 11.33785 274.9999 6.298631 19.51761       12.96995 
1 1 1 -3  20 11 o 227.6947 5.390577 2544.472       120.1419 2938.000       228.7782 2394.620       141.1753 243.7452 9.607799 220.6464 6.543885 23.09880       11.62464 
1 1 1 -3  20 12 o 185.0386 5.676514 1682.629       102.6919 1869.000       156.5934 1542.000       136.0256 194.5951 8.239854 176.7874 7.880540 17.80774       11.40167 
1 1 1 -3  20 13 o 68.94296 3.394609 233.4614       22.83750 0.000000       0.000000 233.4614       22.83750 ?        ?        68.94296 3.394609 ?              ?        
1 1 1 -3  20 14 o 280.2514 6.336178 3860.195       173.8126 4000.000       311.2631 3796.847       209.5227 283.7894 11.22751 277.5536 7.719692 6.235809       13.62536 
1 1 1 -3  20 15 o 92.67282 3.228512 421.3076       29.24134 532.2000       66.58734 394.8130       32.54761 103.8286 6.585861 89.67266 3.716165 14.15591       7.561974 
1 1 1 -3  20 16 o 171.1913 3.746197 1436.565       62.77383 1684.000       142.7358 1377.231       69.89622 184.6796 7.914364 167.5256 4.265989 17.15395       8.990874 
1 1 1 -3  20 17 f 167.8564 5.523877 1385.419       90.63508 1467.000       132.6583 1314.000       124.1218 172.3228 7.885659 163.0871 7.797986 9.235718       11.09019 
1 1 1 -3  20 18 o 202.5088 8.759004 2030.000       173.2114 0.000000       0.000000 2030.000       173.2114 ?        ?        202.5088 8.759004 ?              ?        
1 1 1 -3  20 19 o 112.2194 5.052294 619.6746       55.35380 650.2000       80.81717 592.7000       75.97153 114.6365 7.239328 109.4479 7.130305 5.188599       10.16116 
1 1 1 -3  20 20 o 217.7784 6.537294 2337.128       139.1961 2418.000       201.2809 2263.000       192.7051 220.7401 9.336776 213.5658 9.240259 7.174271       13.13612 
1 1 1 -3  20 21 o 292.2789 8.251649 4227.449       235.8357 4113.000       327.9637 4350.000       339.3729 286.6967 11.71149 294.8134 11.78419 -8.116791      16.61403 
1 1 1 -3  20 22 o 138.2428 5.263076 940.9577       71.08768 1013.000       105.4293 880.9000       96.26135 142.9990 7.559056 133.3563 7.403553 9.642731       10.58073 
1 1 1 -3  20 23 o 233.6218 6.917677 2696.719       158.0160 2598.000       219.4578 2803.000       227.7073 228.1942 9.848359 237.0475 9.835122 -8.853271      13.91833 
1 1 1 -3  20 24 o 104.0466 5.208782 534.0435       52.87944 550.1000       78.33236 520.6000       71.67585 105.1265 7.665090 102.3564 7.199977 2.770119       10.51633 
1 1 1 -3  20 25 o 137.7600 5.271226 936.0772       70.94780 941.0000       102.8012 931.6000       98.03885 137.5299 7.666852 136.9316 7.341401 0.5982819      10.61493 
1 1 1 -3  20 26 o 163.4119 5.597073 1318.995       89.39420 1388.000       131.0825 1259.000       122.2265 166.8285 8.051044 158.9315 7.881455 7.897034       11.26662 
1 1 1 -3  20 27 o 78.09646 5.586680 302.7450       42.42416 285.3000       60.33886 319.8000       59.66052 75.14882 8.343374 79.77797 7.737110 -4.629150      11.37870 
1 1 1 -3  20 28 o 50.95152 7.738166 132.3692       37.38050 102.3000       53.76702 160.5000       52.00503 43.92718 12.11360 55.58845 9.921763 -11.66127      15.65825 
1 1 1 -3  20 29 o 84.78765 5.522790 357.3964       45.58557 290.8000       63.26697 429.3000       65.73957 75.53671 8.716512 92.44052 7.325225 -16.90382      11.38580 
1 1 1 -3  20 30 o 116.8702 5.158426 677.4324       58.86483 743.7000       87.00815 621.5000       79.93570 121.6553 7.340878 111.1565 7.388772 10.49886       10.41549 
1 1 1 -3  20 31 o 69.74258 9.074148 251.1000       60.47817 251.1000       60.47817 0.000000       0.000000 69.74258 9.074148 ?        ?        ?              ?        
1 1 1 -3  20 32 o 21.40265 9.879713 -33.10000      48.32477 -33.10000      48.32477 0.000000       0.000000 21.40265 9.879713 ?        ?        ?              ?        
1 1 1 -3  20 33 o 142.0959 5.314932 1006.152       73.79372 1161.000       112.9405 890.8000       97.47856 151.2284 7.654641 132.4884 7.547887 18.73994       10.75008 
1 1 1 -3  20 34 o 133.3296 7.406103 903.4000       96.27479 0.000000       0.000000 903.4000       96.27479 ?        ?        133.3296 7.406103 ?              ?        
1 1 1 -3  20 35 o 75.64434 5.785116 288.1587       42.50961 276.3000       62.12450 298.6000       58.29353 72.68768 8.918309 76.08735 7.944014 -3.399673      11.94335 
1 1 1 -3  20 36 o 80.51543 5.806111 326.8210       45.45107 259.6000       65.73337 388.4000       62.91430 69.78062 9.901438 87.01272 7.458751 -17.23210      12.39643 
1 1 1 -3  20 37 o 87.45191 5.566877 385.1168       47.40528 325.2000       69.19974 438.1000       65.07279 78.45542 9.184691 92.41598 7.251641 -13.96056      11.70234 
1 1 1 -3  20 38 o 74.42507 5.914503 280.9097       42.73263 225.9000       62.81522 328.3000       58.30287 64.44933 10.30418 79.63900 7.570175 -15.18967      12.78607 
1 1 1 -3  20 39 o 54.86267 7.306455 157.2405       38.26190 145.6000       55.47817 167.8000       52.83923 50.57448 11.47151 55.19276 10.15474 -4.618279      15.32039 
1 1 1 -3  20 40 o 52.58976 7.769419 146.7257       38.79157 162.9000       55.89807 131.7000       53.87687 53.51667 11.03756 47.61712 11.65524 5.899555       16.05217 
1 1 1 -3  20 41 o 67.87486 6.394885 238.5874       41.98551 174.2000       58.85684 305.3000       59.91013 54.78343 11.34944 75.55086 8.234411 -20.76743      14.02196 
1 1 1 -3  20 42 o 21.01277 9.015648 4.866269       33.23648 -15.79000      47.91643 24.02000       46.14081 22.08352 10.06023 26.60344 10.96505 -4.519920      14.88088 
1 1 1 -3  20 43 o 45.73930 8.195420 114.5773       35.34395 79.84000       50.86817 147.0000       49.14419 36.43862 12.15943 50.51900 10.28822 -14.08038      15.92794 
1 1 1 -3  20 44 o 70.38980 8.574286 271.7000       57.85892 271.7000       57.85892 0.000000       0.000000 70.38980 8.574286 ?        ?        ?              ?        
1 1 1 -3  20 45 o 46.07087 7.866216 116.1211       34.20058 118.3000       49.96336 114.2000       46.91436 44.03569 11.47685 43.59975 10.99631 0.4359436      15.89456 
1 1 1 -3  20 46 o 63.15854 8.748224 222.4000       52.63226 0.000000       0.000000 222.4000       52.63226 ?        ?        63.15854 8.748224 ?              ?        
1 1 1 -3  20 47 o 47.77472 7.748255 125.4654       34.99321 115.1000       50.69370 134.9000       48.36420 42.76159 11.75057 47.34704 10.68975 -4.585449      15.88542 
1 1 1 -3  20 48 o 25.40117 10.61265 23.54000       44.05581 0.000000       0.000000 23.54000       44.05581 ?        ?        25.40117 10.61265 ?              ?        
1 1 1 -3  20 49 o 50.58035 7.432536 140.6347       35.70141 118.6000       52.87308 159.1000       48.40156 42.53224 12.11603 51.78611 9.909489 -9.253872      15.65236 
1 1 1 -3  20 50 o 33.51593 9.575510 67.47083       32.97721 53.17000       49.60086 78.80000       44.14764 30.25473 11.73016 35.14525 11.30524 -4.890522      16.29126 
1 1 1 -3  20 51 o 17.79805 8.026662 -6.717630      29.58712 29.73000       43.35446 -38.49000      40.47846 25.92024 10.65040 17.55115 8.385666 8.369093       13.55545 
1 1 1 -3  20 52 o 38.55145 8.772502 86.94241       32.35579 52.93000       46.15830 119.8000       45.36794 29.88992 11.38540 43.78926 10.68137 -13.89934      15.61150 
1 1 1 -3  20 53 o 33.92363 9.476324 69.52200       32.67216 46.10000       48.28022 89.31000       44.37701 28.82766 11.45281 37.15060 11.24375 -8.322937      16.04957 
1 1 1 -3  20 54 o 39.47190 11.81714 104.3000       49.21310 104.3000       49.21310 0.000000       0.000000 39.47190 11.81714 ?        ?        ?              ?        
1 1 1 -3  20 55 o 33.41685 11.44023 72.98000       45.03693 0.000000       0.000000 72.98000       45.03693 ?        ?        33.41685 11.44023 ?              ?        
1 1 1 -3  20 56 o 28.09667 9.625376 47.62491       31.88249 18.25000       44.71956 77.99000       45.46702 24.01446 10.38185 34.05720 11.49715 -10.04273      15.49087 
1 1 1 -3  20 57 o 18.17262 8.178568 -3.461721      30.53578 1.674000       42.11356 -9.155000      44.34069 21.34162 9.604742 20.62278 9.499570 0.7188435      13.50899 
1 1 1 -3  21 1  o 261.3504 5.212161 3351.083       133.3359 3269.000       262.2432 3379.701       154.8445 256.9779 10.44741 262.3555 6.029753 -5.377594      12.06260 
1 1 1 -3  21 2  o 127.2587 3.895518 794.4240       48.46710 740.4000       82.74109 822.6439       59.80059 122.5381 6.926530 129.4318 4.728123 -6.893677      8.386415 
1 1 1 -3  21 3  o 319.4768 7.157473 5018.596       223.8233 5109.000       392.8839 4975.157       272.3384 320.5641 12.54534 317.6028 8.768680 2.961334       15.30605 
1 1 1 -3  21 4  f 177.8275 5.541853 1553.528       96.34509 0.000000       0.000000 1553.528       96.34509 ?        ?        177.8275 5.541853 ?              ?        
1 1 1 -3  21 5  o 172.8029 4.419137 1465.044       74.68584 1566.000       135.8221 1421.287       89.41803 178.2049 7.805475 170.0996 5.377267 8.105301       9.478419 
1 1 1 -3  21 6  o 241.8309 5.638192 2870.821       133.4621 2870.000       231.9727 2871.227       163.1730 240.8570 9.860310 241.5690 6.907917 -0.7120056     12.03931 
1 1 1 -3  21 7  o 103.3438 4.680915 524.8696       47.22721 556.6000       68.99796 496.9000       64.78014 106.2075 6.670738 100.3315 6.633490 5.875931       9.407547 
1 1 1 -3  21 8  o 150.8861 3.533431 1115.606       52.18576 1285.000       114.5768 1071.267       58.61900 161.4543 7.268685 147.7729 4.056470 13.68135       8.323985 
1 1 1 -3  21 9  o 189.7915 4.056005 1765.840       75.34969 1915.000       160.2417 1723.496       85.37759 196.9472 8.331084 187.4530 4.653131 9.494217       9.542462 
1 1 1 -3  21 10 o 229.1683 4.669763 2576.104       104.7504 2578.000       211.4279 2575.488       120.5911 228.2606 9.483577 229.0567 5.378561 -0.7961578     10.90262 
1 1 1 -3  21 11 o 139.7453 4.923656 959.3976       67.24378 1046.000       100.9810 890.4000       90.13470 145.6341 7.105315 134.3730 6.875751 11.26111       9.887439 
1 1 1 -3  21 12 o 236.1662 4.775106 2736.445       110.3842 2898.000       231.2111 2688.752       125.6256 241.8914 9.785416 234.0068 5.484581 7.884674       11.21762 
1 1 1 -3  21 13 o 181.8347 4.486872 1621.834       79.85951 1827.000       153.2336 1545.329       93.57170 192.3272 8.158207 177.3239 5.397303 15.00327       9.781984 
1 1 1 -3  21 14 o 88.57504 3.743397 385.2731       32.38196 0.000000       0.000000 385.2731       32.38196 ?        ?        88.57504 3.743397 ?              ?        
1 1 1 -3  21 15 o 155.9182 4.050378 1192.937       61.76332 0.000000       0.000000 1192.937       61.76332 ?        ?        155.9182 4.050378 ?              ?        
1 1 1 -3  21 16 o 127.3007 3.615436 795.0681       45.00465 0.000000       0.000000 795.0681       45.00465 ?        ?        127.3007 3.615436 ?              ?        
1 1 1 -3  21 17 o 222.8219 9.396027 2463.000       204.4713 0.000000       0.000000 2463.000       204.4713 ?        ?        222.8219 9.396027 ?              ?        
1 1 1 -3  21 18 o 201.7506 6.191945 2004.667       122.1332 2056.000       176.0118 1957.000       169.6108 203.6576 8.850609 198.7158 8.741360 4.941772       12.43964 
1 1 1 -3  21 19 o 103.6610 5.062196 529.1625       51.20887 558.6000       74.35409 502.6000       70.62991 106.1864 7.196197 100.6951 7.213750 5.491295       10.18938 
1 1 1 -3  21 20 o 165.5060 5.568372 1348.913       90.08021 1405.000       130.5888 1298.000       124.4202 168.3849 7.945540 161.8490 7.877365 6.535812       11.18859 
1 1 1 -3  21 21 o 264.3615 7.622755 3458.289       197.0437 3744.000       293.8998 3225.000       265.5723 273.4668 11.00211 253.9262 10.70891 19.54062       15.35341 
1 1 1 -3  21 22 o 192.5366 6.073818 1829.040       114.3241 1821.000       162.0858 1837.000       161.2746 191.3117 8.678197 192.1818 8.595040 -0.8700867     12.21416 
1 1 1 -3  21 23 o 78.03646 5.682592 301.6709       43.10858 258.8000       62.87526 339.7000       59.21843 71.51460 9.194621 82.50379 7.411825 -10.98919      11.81001 
1 1 1 -3  21 24 o 79.70380 5.573318 314.7611       43.20695 260.2000       62.56738 364.5000       59.73847 71.64828 9.128463 85.46739 7.207931 -13.81911      11.63113 
1 1 1 -3  21 25 o 131.7872 5.147360 857.4244       66.27169 923.4000       97.70147 801.2000       90.19286 136.1673 7.357632 126.8296 7.295950 9.337700       10.36174 
1 1 1 -3  21 26 o 139.0985 5.254091 956.4200       71.40766 976.4000       102.8131 937.8000       99.25236 139.8180 7.540303 137.0604 7.425876 2.757675       10.58300 
1 1 1 -3  21 27 o 107.7122 5.111194 574.3165       53.73443 554.9000       75.08517 594.7000       76.93242 105.2418 7.334768 108.9948 7.252283 -3.753044      10.31477 
1 1 1 -3  21 28 o 93.37011 5.311053 432.7917       48.33925 396.3000       68.26114 469.5000       68.46335 88.54878 7.960497 96.67290 7.288833 -8.124115      10.79336 
1 1 1 -3  21 29 o 179.5673 5.886851 1604.000       103.3307 1604.000       146.9866 1604.000       145.2913 178.0480 8.458200 178.1173 8.356798 -0.6925964E-01 11.89021 
1 1 1 -3  21 30 o 62.34392 9.503100 202.6000       56.16068 202.6000       56.16068 0.000000       0.000000 62.34392 9.503100 ?        ?        ?              ?        
1 1 1 -3  21 31 o 95.61729 5.232245 455.6257       48.78344 454.6000       69.89458 456.6000       68.12005 94.57353 7.614677 94.88261 7.393008 -0.3090820     10.61319 
1 1 1 -3  21 32 o 68.55905 5.958276 236.6271       39.58782 183.4000       57.18854 285.6000       54.85557 58.63784 10.34163 74.74985 7.602980 -16.11201      12.83568 
1 1 1 -3  21 33 o 67.61388 8.584378 237.7000       55.53451 0.000000       0.000000 237.7000       55.53451 ?        ?        67.61388 8.584378 ?              ?        
1 1 1 -3  21 34 o 109.5493 5.177489 599.7490       55.36106 584.7000       79.52483 613.9000       77.11549 106.8683 7.653005 109.7810 7.216444 -2.912651      10.51882 
1 1 1 -3  21 35 o 131.1422 5.260305 860.5662       67.38721 904.1000       98.87150 822.8000       92.08936 132.8339 7.636423 126.8405 7.450098 5.993469       10.66860 
1 1 1 -3  21 36 o 100.1878 5.218882 503.4104       51.00336 535.9000       75.93105 476.7000       68.84740 101.9852 7.662378 96.34913 7.355788 5.636032       10.62166 
1 1 1 -3  21 37 o 69.49129 6.052691 245.5491       40.76004 213.4000       60.17798 272.8000       55.40428 62.68308 10.15517 72.32372 7.957632 -9.640636      12.90160 
1 1 1 -3  21 38 o 52.86797 7.377584 146.3266       37.13967 141.5000       54.54010 150.5000       50.71509 49.87806 11.41822 52.12553 10.30522 -2.247467      15.38094 
1 1 1 -3  21 39 o 60.48812 6.704135 189.7582       39.02780 179.0000       56.31529 199.7000       54.13644 56.49799 10.57176 60.48652 9.452935 -3.988525      14.18168 
1 1 1 -3  21 40 o 92.46246 5.480807 435.1289       49.38139 430.0000       69.36338 440.4000       70.31808 90.04583 7.951356 91.12366 7.963635 -1.077835      11.25360 
1 1 1 -3  21 41 o 63.68182 6.513620 211.5046       40.03036 139.5000       56.02594 286.6000       57.21577 48.16479 11.94299 73.02397 8.143084 -24.85918      14.45492 
1 1 1 -3  21 42 o 82.39491 5.489262 347.7821       44.01864 340.6000       64.07816 354.2000       60.57314 79.25109 8.387491 81.45291 7.688406 -2.201820      11.37812 
1 1 1 -3  21 43 o 71.78913 8.558336 282.3000       58.95586 282.3000       58.95586 0.000000       0.000000 71.78913 8.558336 ?        ?        ?              ?        
1 1 1 -3  21 44 o 104.7403 5.163282 560.3047       52.77222 610.4000       77.59803 517.2000       71.98054 106.9610 7.458448 98.34307 7.535040 8.617966       10.60214 
1 1 1 -3  21 45 o 44.36874 10.61567 117.8000       45.48478 0.000000       0.000000 117.8000       45.48478 ?        ?        44.36874 10.61567 ?              ?        
1 1 1 -3  21 46 o 42.92607 8.164703 102.9637       33.05255 124.1000       48.53232 84.68000       45.13869 44.99586 11.09121 36.91281 11.37289 8.083050       15.88576 
1 1 1 -3  21 47 o 26.34861 9.531004 37.29619       31.57549 67.68000       46.08843 10.42000       43.34656 33.16750 11.56278 23.49035 10.18808 9.677147       15.41087 
1 1 1 -3  21 48 f 21.95358 9.021344 16.80924       31.10966 46.85000       47.16862 -6.319000      41.38748 29.17547 11.40280 20.91129 9.456099 8.264187       14.81357 
1 1 1 -3  21 49 o 63.88508 8.854447 233.9000       53.88237 0.000000       0.000000 233.9000       53.88237 ?        ?        63.88508 8.854447 ?              ?        
1 1 1 -3  21 50 o 26.43784 9.459597 38.84360       31.00626 28.68000       45.46617 47.68000       42.39381 26.07592 10.82871 28.91535 10.93508 -2.839430      15.38951 
1 1 1 -3  21 51 o 27.62103 9.479328 44.15626       30.92592 77.52000       45.55231 15.63000       42.12069 34.60280 11.50554 23.64588 10.14743 10.95692       15.34105 
1 1 1 -3  21 52 o 36.97458 8.965960 80.86338       32.11050 66.93000       46.35217 93.72000       44.52513 32.38860 11.56859 38.08500 11.20006 -5.696396      16.10198 
1 1 1 -3  21 53 o 26.72278 11.00744 33.97000       46.46029 33.97000       46.46029 0.000000       0.000000 26.72278 11.00744 ?        ?        ?              ?        
1 1 1 -3  21 54 o 19.51266 9.065411 -18.00000      41.67598 0.000000       0.000000 -18.00000      41.67598 ?        ?        19.51266 9.065411 ?              ?        
1 1 1 -3  21 55 o 24.88460 9.386974 33.49133       31.19463 72.87000       44.16913 -5.698000      44.06281 33.17955 11.33024 21.13909 9.636639 12.04046       14.87411 
1 1 1 -3  21 56 o 27.90936 9.621742 47.53230       31.87347 63.81000       44.78850 30.83000       45.36889 31.04715 11.33361 25.61877 10.74115 5.428375       15.61484 
1 1 1 -3  21 57 o 29.46714 9.577079 54.59269       31.63175 17.28000       42.63063 100.3000       47.18309 23.23960 10.09129 37.82926 11.62260 -14.58965      15.39217 
1 1 1 -3  22 1  o 25.17093 7.300317 31.79432       19.03230 60.27000       41.15023 24.04539       21.46625 34.97500 10.87290 23.09241 7.898412 11.88259       13.43893 
1 1 1 -3  22 2  o 121.2708 3.332238 721.1169       39.51726 742.3000       81.59978 714.6268       45.16711 122.6780 6.822284 120.6871 3.828291 1.990929       7.823003 
1 1 1 -3  22 3  o 361.6910 6.941600 6434.120       245.7556 6316.000       485.3132 6474.854       284.9978 355.4433 13.97632 362.5329 8.031338 -7.089600      16.11955 
1 1 1 -3  22 4  f 134.4767 3.999528 887.2971       52.58710 861.7000       91.02878 900.1187       64.42516 132.1650 7.062129 135.3636 4.870299 -3.198608      8.578664 
1 1 1 -3  22 5  o 178.7487 5.600161 1570.368       97.86185 0.000000       0.000000 1570.368       97.86185 ?        ?        178.7487 5.600161 ?              ?        
1 1 1 -3  22 6  o 90.81182 3.694624 404.8560       32.77262 421.8000       61.77103 398.2181       38.66274 92.35303 6.882742 90.00443 4.401917 2.348602       8.170007 
1 1 1 -3  22 7  o 155.2948 4.199152 1183.384       63.77142 1321.000       118.5781 1127.385       75.64175 163.6430 7.422203 151.4770 5.108937 12.16599       9.010568 
1 1 1 -3  22 8  o 201.0343 4.904960 1983.148       96.51877 2159.000       177.5038 1909.327       115.0069 208.9965 8.695856 197.0437 5.969751 11.95273       10.54779 
1 1 1 -3  22 9  o 283.8585 5.586660 3957.166       155.2245 4272.000       328.1188 3866.391       176.1868 293.0999 11.45900 280.4287 6.418664 12.67117       13.13423 
1 1 1 -3  22 10 f 194.5548 4.138907 1856.107       78.81955 1926.000       163.4920 1834.944       89.96474 197.3954 8.481405 193.3828 4.752787 4.012558       9.722305 
1 1 1 -3  22 11 o 114.3166 3.195714 640.8351       35.72377 771.4000       81.88485 610.1430       39.70116 125.0423 6.714850 111.5100 3.642219 13.53223       7.639042 
1 1 1 -3  22 12 o 170.9529 4.354538 1434.494       72.80666 1537.000       135.9928 1393.308       86.20083 176.3808 7.896977 168.3691 5.236864 8.011765       9.475599 
1 1 1 -3  22 13 o 141.1753 3.883095 977.9957       53.60808 1203.000       109.8600 907.6754       61.41644 156.1125 7.208911 135.9251 4.622865 20.18744       8.563835 
1 1 1 -3  22 14 o 181.5581 3.926439 1616.525       69.77834 1941.000       160.0975 1540.432       77.52979 198.0941 8.274930 177.1241 4.475409 20.97003       9.407643 
1 1 1 -3  22 15 o 207.1622 4.948942 2107.483       100.3527 0.000000       0.000000 2107.483       100.3527 ?        ?        207.1622 4.948942 ?              ?        
1 1 1 -3  22 16 o 217.1174 5.133867 2315.774       109.1052 0.000000       0.000000 2315.774       109.1052 ?        ?        217.1174 5.133867 ?              ?        
1 1 1 -3  22 17 f 160.7884 3.632197 1267.808       57.16502 1423.000       129.5252 1230.267       63.70508 169.5547 7.825477 158.2921 4.115068 11.26263       8.841486 
1 1 1 -3  22 18 o 112.8975 5.074632 627.6877       55.93498 626.0000       80.02510 629.3000       78.21400 112.3716 7.315272 112.7052 7.126296 -0.3335571     10.21261 
1 1 1 -3  22 19 o 148.7788 5.336128 1090.131       77.58355 1177.000       113.9247 1015.000       105.9484 154.1211 7.574991 143.0916 7.591558 11.02950       10.72438 
1 1 1 -3  22 20 o 174.4219 5.752377 1499.959       98.07539 1445.000       137.4286 1557.000       140.0064 170.5283 8.257858 177.0782 8.098934 -6.549866      11.56654 
1 1 1 -3  22 21 o 120.6627 5.166057 717.8469       60.87402 744.7000       89.05962 694.3000       83.39685 122.4187 7.467893 118.2426 7.240303 4.176086       10.40151 
1 1 1 -3  22 22 o 188.2303 5.990317 1750.422       110.2281 1880.000       162.9065 1641.000       149.7014 194.1287 8.594491 181.4018 8.454233 12.72694       12.05568 
1 1 1 -3  22 23 o 58.85151 6.574543 173.4759       37.22672 194.1000       54.63252 155.6000       50.86248 61.62861 9.349666 54.92675 9.820871 6.701862       13.55971 
1 1 1 -3  22 24 o 132.1388 5.180678 862.5812       66.87762 868.2000       95.61771 857.2000       93.57388 131.9230 7.434857 131.1202 7.319921 0.8028870      10.43352 
1 1 1 -3  22 25 o 241.3793 7.138010 2901.969       168.4635 2892.000       237.8722 2912.000       238.6164 238.8166 10.19939 239.6453 10.19574 -0.8286591     14.42153 
1 1 1 -3  22 26 o 123.2189 5.128778 751.6273       61.72301 704.1000       85.52090 803.3000       89.17260 118.5185 7.408969 126.6943 7.220548 -8.175789      10.34549 
1 1 1 -3  22 27 o 73.71112 5.737478 271.1206       41.07036 307.1000       60.46391 240.3000       55.96156 77.78642 8.057758 68.56409 8.521858 9.222336       11.72815 
1 1 1 -3  22 28 o 61.60897 6.495290 191.3236       38.58079 149.0000       55.21536 231.7000       53.93029 52.85133 11.03030 67.26615 8.371516 -14.41482      13.84737 
1 1 1 -3  22 29 f 104.4161 7.393257 551.1000       75.07439 551.1000       75.07439 0.000000       0.000000 104.4161 7.393257 ?        ?        ?              ?        
1 1 1 -3  22 30 o 79.07947 5.481438 312.7751       42.16658 275.0000       60.18261 349.2000       59.09732 72.98535 8.588412 82.88738 7.360512 -9.902031      11.31097 
1 1 1 -3  22 31 o 87.91483 7.361343 393.4000       62.76584 0.000000       0.000000 393.4000       62.76584 ?        ?        87.91483 7.361343 ?              ?        
1 1 1 -3  22 32 o 28.43890 11.10296 30.28000       44.68132 0.000000       0.000000 30.28000       44.68132 ?        ?        28.43890 11.10296 ?              ?        
1 1 1 -3  22 33 o 66.16148 6.106976 221.6875       39.10312 267.4000       58.12737 183.9000       52.84902 71.68132 8.446516 58.81403 9.504127 12.86729       12.71503 
1 1 1 -3  22 34 o 59.21230 6.716337 179.5085       38.24018 244.6000       58.24678 130.2000       50.69567 68.17180 8.944484 48.59122 10.92490 19.58057       14.11939 
1 1 1 -3  22 35 o 50.74277 7.437456 134.1138       35.84443 139.9000       53.49712 129.4000       48.28584 50.12250 11.18789 48.49657 10.47836 1.625927       15.32857 
1 1 1 -3  22 36 o 95.62340 5.252405 459.6731       48.97309 382.4000       68.20728 541.9000       70.35966 85.53890 8.248486 102.7958 7.035062 -17.25691      10.84111 
1 1 1 -3  22 37 o 41.82324 8.510538 94.42432       33.65356 73.35000       47.64923 115.4000       47.53759 36.22553 11.75292 45.20533 10.87617 -8.979801      16.01320 
1 1 1 -3  22 38 o 37.74281 9.433595 79.22776       34.75253 -0.1785000     47.98808 166.8000       50.39521 24.10192 10.58078 55.02326 9.711945 -30.92134      14.36227 
1 1 1 -3  22 39 o 30.81540 10.15737 52.10506       35.52473 -39.94000      49.42236 150.5000       51.09868 20.38088 9.597998 51.42252 10.50727 -31.04164      14.23110 
1 1 1 -3  22 40 o 40.23539 9.194221 91.03184       35.41631 87.13000       50.42688 94.83000       49.75238 38.08651 12.06430 39.69668 11.88107 -1.610165      16.93243 
1 1 1 -3  22 41 o 62.09999 6.236694 200.7971       37.39717 188.2000       52.77729 213.5000       52.99857 57.80456 9.669021 62.17527 8.967310 -4.370708      13.18721 
1 1 1 -3  22 42 o 27.88016 11.07320 35.00000       45.12038 35.00000       45.12038 0.000000       0.000000 27.88016 11.07320 ?        ?        ?              ?        
1 1 1 -3  22 43 f 36.18548 9.236910 75.13154       32.82344 117.2000       47.74127 37.42000       45.20150 44.12581 11.07264 28.17865 11.11743 15.94716       15.69078 
1 1 1 -3  22 44 o 24.36994 10.35783 15.47000       43.13385 0.000000       0.000000 15.47000       43.13385 ?        ?        24.36994 10.35783 ?              ?        
1 1 1 -3  22 45 o 42.58448 8.169758 101.3501       32.81557 125.9000       48.33585 80.36000       44.69422 45.43112 10.99028 36.03143 11.35073 9.399693       15.79953 
1 1 1 -3  22 46 o 73.32191 5.655846 279.7783       40.27820 364.8000       60.95979 213.9000       53.65989 81.77872 7.706327 61.14181 9.255327 20.63692       12.04361 
1 1 1 -3  22 47 o 43.92641 8.028234 108.5430       33.24691 110.4000       48.52536 106.9000       45.64333 41.48882 11.53366 41.20537 11.07848 0.2834473      15.99244 
1 1 1 -3  22 48 o 37.83658 9.051020 84.32476       33.06990 88.95000       48.94581 80.44000       44.85703 36.77205 11.91031 35.37915 11.39711 1.392899       16.48483 
1 1 1 -3  22 49 o 28.99744 9.620001 49.49628       31.84972 8.221000       45.90446 87.81000       44.22696 23.41853 10.31225 37.03249 11.22825 -13.61396      15.24520 
1 1 1 -3  22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  22 51 o 32.28538 9.439852 62.95065       31.70818 69.09000       45.88635 57.34000       43.86610 32.78025 11.52937 30.55058 11.20605 2.229662       16.07800 
1 1 1 -3  22 52 o 32.84727 11.80379 70.10000       48.33449 70.10000       48.33449 0.000000       0.000000 32.84727 11.80379 ?        ?        ?              ?        
1 1 1 -3  22 53 o 30.42294 11.20829 57.74000       43.96199 0.000000       0.000000 57.74000       43.96199 ?        ?        30.42294 11.20829 ?              ?        
1 1 1 -3  22 54 o 17.95308 8.058489 -4.002044      29.42808 3.772000       41.07606 -12.20000      42.18112 21.64055 9.630283 20.10364 9.262210 1.536915       13.36154 
1 1 1 -3  22 55 o 33.82449 9.442383 70.96754       32.45005 61.28000       45.60754 80.90000       46.18044 30.64099 11.39277 34.38010 11.58698 -3.739111      16.24972 
1 1 1 -3  22 56 o 21.89904 8.984950 20.25346       30.79762 7.899000       43.30220 32.90000       43.81108 22.17817 9.877532 25.56083 10.62356 -3.382660      14.50606 
1 1 1 -3  23 1  o 250.3127 5.039365 3075.221       123.4710 3204.000       253.8938 3035.332       141.3057 254.1801 10.22567 248.5683 5.807748 5.611771       11.75986 
1 1 1 -3  23 2  o 232.1650 4.751276 2644.667       107.9725 2801.000       224.6307 2597.695       123.1293 237.7938 9.670957 229.9994 5.469261 7.794434       11.11037 
1 1 1 -3  23 3  o 346.1104 6.678519 5892.366       226.2565 5809.000       447.9442 5920.919       262.1559 340.8001 13.45464 346.6541 7.726043 -5.853912      15.51513 
1 1 1 -3  23 4  o 191.4192 4.801472 1799.104       89.89242 1644.000       149.3820 1887.154       112.5519 182.3613 8.391222 195.8939 5.876475 -13.53261      10.24429 
1 1 1 -3  23 5  o 94.96762 3.908331 442.9134       36.25301 445.7000       65.24000 441.6685       43.60522 94.89867 7.074297 94.75974 4.716015 0.1389313      8.502146 
1 1 1 -3  23 6  o 223.9816 5.347559 2463.427       117.2396 2518.000       206.8075 2437.582       142.3181 225.4843 9.390644 222.5266 6.540992 2.957733       11.44416 
1 1 1 -3  23 7  o 249.4052 5.784728 3056.335       141.2195 0.000000       0.000000 3056.335       141.2195 ?        ?        249.4052 5.784728 ?              ?        
1 1 1 -3  23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  23 9  o 176.1340 5.629514 1525.816       96.93090 1624.000       142.3799 1441.000       132.3329 181.2612 8.044901 170.7450 7.939703 10.51627       11.30307 
1 1 1 -3  23 10 o 181.7965 3.980708 1620.793       70.83569 1722.000       149.4808 1591.484       80.44112 186.5987 8.204148 180.0301 4.568543 6.568604       9.390402 
1 1 1 -3  23 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  23 12 o 78.29243 3.241309 300.9465       24.78598 260.7000       56.31868 310.6144       27.60293 72.21535 8.107242 79.51711 3.555397 -7.301750      8.852582 
1 1 1 -3  23 13 f 54.56979 3.463515 146.5749       18.40470 260.9000       53.21172 131.0396       19.61536 72.32166 7.631740 51.54026 3.917498 20.78140       8.578476 
1 1 1 -3  23 14 o 42.84458 4.277139 90.97168       17.69779 0.000000       0.000000 90.97168       17.69779 ?        ?        42.84458 4.277139 ?              ?        
1 1 1 -3  23 15 o 122.6280 3.778134 738.3206       45.29546 772.1000       89.47344 726.6802       52.52318 124.8583 7.353564 121.5846 4.420687 3.273636       8.580057 
1 1 1 -3  23 16 o 71.84220 3.506131 253.7233       24.58105 0.000000       0.000000 253.7233       24.58105 ?        ?        71.84220 3.506131 ?              ?        
1 1 1 -3  23 17 o 301.4237 5.889752 4474.353       173.7723 4834.000       369.9033 4372.505       196.8457 309.9278 12.21724 297.6824 6.755639 12.24542       13.96064 
1 1 1 -3  23 18 o 153.6957 5.383432 1163.996       80.86415 1166.000       114.4694 1162.000       114.2493 153.3007 7.652694 153.0373 7.651205 0.2634125      10.82149 
1 1 1 -3  23 19 o 143.8701 5.303326 1020.383       74.55575 1038.000       107.4052 1004.000       103.5746 144.5582 7.617485 142.2056 7.467151 2.352631       10.66698 
1 1 1 -3  23 20 o 103.6641 5.183286 530.5343       52.42759 483.9000       74.25112 576.9000       74.03696 98.45017 7.768035 107.7216 7.060579 -9.271393      10.49734 
1 1 1 -3  23 21 o 99.99725 5.127078 493.9703       50.01634 467.6000       71.03367 519.9000       70.43767 96.75356 7.560507 102.1718 7.087084 -5.418259      10.36282 
1 1 1 -3  23 22 o 100.7368 5.119551 501.6246       50.31525 541.4000       73.19985 466.0000       69.27527 104.1655 7.224022 96.56152 7.385437 7.603973       10.33108 
1 1 1 -3  23 23 o 188.2371 6.013452 1755.967       110.6567 1677.000       153.2450 1842.000       159.9550 182.7735 8.589812 191.5930 8.550815 -8.819580      12.12029 
1 1 1 -3  23 24 o 82.54646 5.448286 338.4478       43.77531 330.6000       62.09814 346.2000       61.71888 80.91671 7.942552 82.89696 7.694109 -1.980247      11.05818 
1 1 1 -3  23 25 o 29.15049 9.793153 41.00244       32.98962 67.09000       48.21562 18.04000       45.23557 36.37674 11.82412 27.02489 10.96394 9.351852       16.12507 
1 1 1 -3  23 26 o 77.60654 5.511898 300.1571       41.59778 285.8000       59.37189 314.0000       58.29906 74.89462 8.234551 78.74226 7.660653 -3.847633      11.24693 
1 1 1 -3  23 27 o 58.31987 6.643171 172.0499       37.24731 181.8000       53.84032 163.1000       51.58343 58.96694 9.662456 55.73161 9.814224 3.235329       13.77251 
1 1 1 -3  23 28 o 74.25121 8.289397 282.9000       59.22009 282.9000       59.22009 0.000000       0.000000 74.25121 8.289397 ?        ?        ?              ?        
1 1 1 -3  23 29 o 68.43424 5.875697 235.5181       38.97794 271.0000       57.52509 205.4000       52.99894 72.54970 8.246747 62.80105 8.868256 9.748646       12.11011 
1 1 1 -3  23 30 o 142.1145 7.548675 1027.000       104.6296 0.000000       0.000000 1027.000       104.6296 ?        ?        142.1145 7.548675 ?              ?        
1 1 1 -3  23 31 o 82.75755 7.575466 351.0000       60.68541 0.000000       0.000000 351.0000       60.68541 ?        ?        82.75755 7.575466 ?              ?        
1 1 1 -3  23 32 o 50.69384 7.325309 133.0827       35.29576 80.14000       51.82012 178.9000       48.20699 38.29565 12.24128 58.31840 8.711627 -20.02275      15.02469 
1 1 1 -3  23 33 o 121.4774 5.164616 738.4332       61.26994 651.9000       85.31441 830.6000       88.04778 112.5546 7.791873 127.6403 7.075006 -15.08568      10.52468 
1 1 1 -3  23 34 o 81.84142 5.328446 336.9461       42.45338 406.5000       65.10716 285.5000       55.99434 88.74872 7.566913 74.14035 7.834184 14.60837       10.89186 
1 1 1 -3  23 35 o 53.59605 7.031219 148.9234       35.99796 176.7000       53.22160 125.5000       48.87348 57.02481 9.893480 47.44411 10.77111 9.580708       14.62525 
1 1 1 -3  23 36 o 63.57926 6.086658 206.7978       37.41722 216.1000       53.51377 197.9000       52.33771 63.55267 8.841611 60.62960 9.099701 2.923069       12.68774 
1 1 1 -3  23 37 f 63.34765 6.192578 206.4189       37.90812 255.9000       54.45691 159.9000       52.80174 69.41588 8.171049 53.33626 10.48787 16.07962       13.29517 
1 1 1 -3  23 38 o 48.84098 7.643542 127.4488       35.34405 108.4000       49.06203 148.0000       50.96005 42.90271 11.46425 50.91207 10.57209 -8.009361      15.59481 
1 1 1 -3  23 39 o 20.70720 8.869534 5.016809       32.06745 -16.34000      44.94578 27.16000       45.76578 21.29328 9.716824 26.96864 10.99565 -5.675362      14.67382 
1 1 1 -3  23 40 o 61.49965 6.480882 197.9466       38.42748 118.2000       52.07351 293.3000       56.94150 44.09138 11.82379 73.78925 8.012144 -29.69787      14.28273 
1 1 1 -3  23 41 o 55.77966 9.630649 176.4000       50.68191 176.4000       50.68191 0.000000       0.000000 55.77966 9.630649 ?        ?        ?              ?        
1 1 1 -3  23 42 o 35.78623 9.238296 73.55406       32.58095 55.59000       45.84840 91.88000       46.30788 31.40843 11.46671 38.78122 11.42668 -7.372789      16.18810 
1 1 1 -3  23 43 o 52.26070 10.04261 158.9000       49.50598 0.000000       0.000000 158.9000       49.50598 ?        ?        52.26070 10.04261 ?              ?        
1 1 1 -3  23 44 o 28.77616 9.541763 47.07359       31.33480 68.13000       45.22371 27.63000       43.45726 33.47054 11.46378 26.09311 10.68570 7.377428       15.67170 
1 1 1 -3  23 45 o 35.50471 9.159257 73.52927       32.04092 69.92000       45.79634 76.99000       44.84408 33.67145 11.53602 35.15812 11.40135 -1.486671      16.21945 
1 1 1 -3  23 46 o 35.50301 9.159671 74.30834       32.04179 45.32000       45.75720 102.2000       44.88331 28.83896 11.24253 40.30992 11.04861 -11.47096      15.76282 
1 1 1 -3  23 47 o 46.83170 7.683649 122.2608       34.00156 127.8000       49.73497 117.4000       46.58989 44.76918 11.33903 43.15895 10.99823 1.610222       15.79666 
1 1 1 -3  23 48 o 40.33297 8.549107 93.94490       32.70163 56.80000       46.21288 131.2000       46.28138 30.65992 11.45469 46.18626 10.47869 -15.52634      15.52459 
1 1 1 -3  23 49 o 24.31916 9.237062 30.17876       30.32864 17.75000       43.39185 42.05000       42.40745 24.08556 10.31704 27.72981 10.81946 -3.644255      14.94998 
1 1 1 -3  23 50 o 41.71537 8.567879 101.0227       33.81279 125.0000       48.81043 78.90000       46.88471 44.03138 11.27682 34.61733 11.67501 9.414051       16.23184 
1 1 1 -3  23 51 o 29.66197 11.75901 51.32000       50.79287 51.32000       50.79287 0.000000       0.000000 29.66197 11.75901 ?        ?        ?              ?        
1 1 1 -3  23 52 o 16.30332 7.925992 -52.38000      40.12504 0.000000       0.000000 -52.38000      40.12504 ?        ?        16.30332 7.925992 ?              ?        
1 1 1 -3  23 53 o 32.56017 9.506609 64.98444       32.17834 41.32000       44.79745 90.21000       46.25148 27.51825 10.99909 36.71122 11.54432 -9.192968      15.94526 
1 1 1 -3  23 54 o 18.98409 8.344056 2.815469       29.92543 25.01000       42.24001 -19.55000      42.40236 24.51517 10.32645 19.33985 9.037968 5.175320       13.72299 
1 1 1 -3  23 55 o 20.30090 8.676804 11.17801       30.56898 -27.43000      42.66376 51.91000       43.82161 18.55766 8.792744 28.66651 11.04944 -10.10885      14.12100 
1 1 1 -3  24 1  o 80.60352 3.478312 319.0414       27.37823 300.0000       57.47665 324.6298       31.13769 77.63877 7.663030 81.27065 3.925844 -3.631874      8.610126 
1 1 1 -3  24 2  f 245.4371 4.964182 2957.364       119.2598 2953.000       239.4299 2958.804       137.5355 243.8884 10.05108 245.3711 5.726446 -1.482727      11.56790 
1 1 1 -3  24 3  o 63.46568 3.885720 198.2447       24.02315 152.3000       50.43275 211.7291       27.32197 54.65424 9.786598 65.55865 4.281128 -10.90441      10.68202 
1 1 1 -3  24 4  o 99.07460 3.330405 481.6245       32.25134 492.7000       68.25776 478.4412       36.59377 99.77507 7.034225 98.70872 3.794504 1.066353       7.992407 
1 1 1 -3  24 5  o 66.47132 3.714125 217.3067       24.06947 165.4000       52.22048 231.3088       27.12231 57.02029 9.703571 68.55446 4.060075 -11.53417      10.51872 
1 1 1 -3  24 6  o 136.3335 4.102766 912.5233       54.68789 772.9000       91.13676 991.0875       68.36396 124.9836 7.483899 141.9904 4.926295 -17.00676      8.959750 
1 1 1 -3  24 7  o 152.1300 3.623778 1134.705       53.96133 1334.000       119.9669 1084.157       60.41833 164.3054 7.479003 148.6031 4.157781 15.70229       8.557022 
1 1 1 -3  24 8  o 158.0452 4.344076 1226.631       67.13869 1100.000       112.5594 1296.566       83.64806 149.0977 7.739160 162.3632 5.270331 -13.26549      9.363278 
1 1 1 -3  24 9  o 166.8652 7.389956 1376.000       120.4025 0.000000       0.000000 1376.000       120.4025 ?        ?        166.8652 7.389956 ?              ?        
1 1 1 -3  24 10 o 145.5307 4.986254 1041.506       70.92400 946.6000       101.2326 1133.000       99.39596 138.3077 7.505823 151.5073 6.719090 -13.19960      10.07390 
1 1 1 -3  24 11 o 130.2765 3.371929 832.6117       42.96208 924.7000       94.99687 808.9344       48.16957 136.7517 7.121466 128.3640 3.838055 8.387650       8.089867 
1 1 1 -3  24 12 o 151.8223 3.597848 1130.435       53.46686 1158.000       113.0131 1122.486       60.68835 152.9393 7.572796 151.1853 4.104797 1.753998       8.613745 
1 1 1 -3  24 13 o 97.03307 3.479440 462.3336       32.99376 0.000000       0.000000 462.3336       32.99376 ?        ?        97.03307 3.479440 ?              ?        
1 1 1 -3  24 14 o 173.0300 3.830668 1469.080       64.87871 1535.000       138.3893 1450.511       73.45058 175.9128 8.058495 171.8108 4.371107 4.101974       9.167655 
1 1 1 -3  24 15 o 118.6651 3.160287 690.9435       36.67491 856.3000       88.99232 657.1144       40.25200 131.5028 6.938265 115.6811 3.559063 15.82168       7.797849 
1 1 1 -3  24 16 o 86.68027 2.919258 368.7658       24.73312 464.2000       65.65927 352.9850       26.69983 96.67166 6.986025 84.77637 3.223439 11.89529       7.693835 
1 1 1 -3  24 17 o 140.4571 4.025836 969.7153       55.29142 1172.000       111.7868 904.1994       63.61828 153.6481 7.455127 135.4998 4.804243 18.14835       8.869028 
1 1 1 -3  24 18 o 216.5490 6.549672 2320.616       138.6700 2402.000       201.2153 2247.000       191.3726 219.0439 9.406694 211.9258 9.247758 7.118042       13.19117 
1 1 1 -3  24 19 o 156.5969 5.440659 1210.860       83.26850 1242.000       120.0622 1182.000       115.5843 157.8733 7.793558 154.0401 7.690142 3.833176       10.94887 
1 1 1 -3  24 20 o 140.6146 5.232514 976.5665       71.89338 867.9000       97.16995 1108.000       106.8654 131.8905 7.558487 149.1484 7.342587 -17.25798      10.53776 
1 1 1 -3  24 21 o 133.2577 5.156650 877.7055       67.13451 818.0000       92.58650 943.9000       97.48811 127.9619 7.423860 137.5430 7.266925 -9.581161      10.38855 
1 1 1 -3  24 22 o 84.11169 5.335399 351.0855       43.70040 342.3000       61.75078 359.9000       61.85274 82.42352 7.744683 84.59182 7.549315 -2.168297      10.81537 
1 1 1 -3  24 23 o 86.58193 5.285674 372.2015       44.58200 333.9000       62.41437 412.1000       63.70229 81.24731 7.949811 90.57072 7.245958 -9.323410      10.75655 
1 1 1 -3  24 24 o 112.8452 5.099726 631.4182       56.18394 659.8000       81.32230 605.5000       77.71272 114.5945 7.287786 109.7649 7.274098 4.829575       10.29681 
1 1 1 -3  24 25 o 111.4947 5.106072 617.0441       55.57674 558.8000       77.20142 679.7000       80.07191 105.2144 7.546367 116.2985 7.067320 -11.08414      10.33899 
1 1 1 -3  24 26 o 51.30338 10.48523 140.4000       50.87406 140.4000       50.87406 0.000000       0.000000 51.30338 10.48523 ?        ?        ?              ?        
1 1 1 -3  24 27 o 92.06401 7.543998 431.0000       67.38687 431.0000       67.38687 0.000000       0.000000 92.06401 7.543998 ?        ?        ?              ?        
1 1 1 -3  24 28 o 36.07053 9.313255 69.52714       33.10805 81.97000       48.37129 58.56000       45.41237 38.91871 11.73023 33.93104 11.49009 4.987667       16.42012 
1 1 1 -3  24 29 o 51.65652 10.18010 143.5000       49.64230 0.000000       0.000000 143.5000       49.64230 ?        ?        51.65652 10.18010 ?              ?        
1 1 1 -3  24 30 o 55.21479 6.946858 156.4767       36.71570 132.6000       53.58924 177.6000       50.40465 48.97610 11.39390 57.93706 9.194860 -8.960957      14.64126 
1 1 1 -3  24 31 o 60.35163 6.441322 185.7429       37.46386 229.8000       56.42126 151.0000       50.10343 66.05134 8.957430 52.84597 10.05335 13.20536       13.46497 
1 1 1 -3  24 32 o 103.9782 5.108440 541.3171       51.83288 563.8000       76.14134 521.9000       70.75967 104.7996 7.471583 100.9769 7.206456 3.822723       10.38063 
1 1 1 -3  24 33 o 61.79396 6.218769 194.8490       37.10365 111.1000       53.52856 272.3000       51.47654 44.15483 12.05103 72.60149 7.344557 -28.44666      14.11276 
1 1 1 -3  24 34 o 52.22573 7.079016 141.7436       35.25708 103.1000       51.23619 176.5000       48.59099 42.48868 11.86624 57.46603 8.928184 -14.97735      14.84992 
1 1 1 -3  24 35 o 80.34923 5.358762 326.5698       41.90472 294.5000       58.96249 359.3000       59.56657 74.68632 8.200157 83.10773 7.399727 -8.421410      11.04529 
1 1 1 -3  24 36 o 42.40832 8.495985 97.88219       34.03706 62.86000       47.03087 136.4000       49.32216 33.76791 11.68561 49.05011 10.58396 -15.28220      15.76622 
1 1 1 -3  24 37 o 85.02081 5.347072 367.7817       44.27336 388.1000       62.87510 347.8000       62.35216 85.74996 7.568591 80.81913 7.986185 4.930832       11.00285 
1 1 1 -3  24 38 o 48.53984 7.494977 126.3536       34.46472 122.9000       48.76584 129.8000       48.71515 45.67545 11.03258 47.14463 10.79040 -1.469177      15.43213 
1 1 1 -3  24 39 o 44.97381 7.903234 110.2184       33.52219 114.2000       45.97812 105.7000       48.97913 44.00748 10.76418 41.78656 11.57652 2.220917       15.80770 
1 1 1 -3  24 40 o 44.34538 10.78372 116.8000       46.35025 116.8000       46.35025 0.000000       0.000000 44.34538 10.78372 ?        ?        ?              ?        
1 1 1 -3  24 41 o 49.01732 7.440402 129.9435       34.57860 135.2000       49.66941 125.0000       48.16818 47.57627 10.90015 45.67450 10.92189 1.901768       15.43052 
1 1 1 -3  24 42 o 42.81364 11.26438 112.4000       47.83365 0.000000       0.000000 112.4000       47.83365 ?        ?        42.81364 11.26438 ?              ?        
1 1 1 -3  24 43 o 45.94014 7.814994 116.4465       33.88483 130.6000       49.02465 103.5000       46.88753 46.28959 10.98580 40.80257 11.33527 5.487022       15.78531 
1 1 1 -3  24 44 o 35.17120 9.147943 72.18822       31.78617 66.35000       45.57075 77.72000       44.35861 32.94993 11.49696 35.32349 11.32929 -2.373566      16.14103 
1 1 1 -3  24 45 o 39.33156 8.632444 89.15756       32.32006 34.34000       45.25958 146.2000       46.16892 27.01911 10.96492 49.63280 9.851002 -22.61370      14.74014 
1 1 1 -3  24 46 o 58.02673 6.457222 180.4371       36.05533 184.0000       52.25686 177.2000       49.81091 55.50695 9.985208 54.78279 9.641022 0.7241592      13.87997 
1 1 1 -3  24 47 o 34.59532 9.403922 71.92218       32.67242 35.11000       47.26863 105.6000       45.21154 27.12225 11.12997 40.69502 11.06235 -13.57277      15.69241 
1 1 1 -3  24 48 o 34.42723 9.205745 71.01294       31.62195 92.97000       45.52919 50.55000       43.95284 37.74425 11.38131 29.30311 11.12228 8.441145       15.91350 
1 1 1 -3  24 49 o 20.94563 8.814655 12.60825       30.73192 44.18000       43.02436 -20.28000      43.91223 28.06409 10.91262 19.85006 9.250214 8.214031       14.30565 
1 1 1 -3  24 50 o 33.36136 9.624523 68.04325       33.16117 74.71000       48.74576 62.30000       45.24376 33.60919 11.87778 31.37347 11.40033 2.235720       16.46357 
1 1 1 -3  24 51 o 28.49837 10.97507 47.51000       43.20691 0.000000       0.000000 47.51000       43.20691 ?        ?        28.49837 10.97507 ?              ?        
1 1 1 -3  24 52 o 27.58420 11.12089 41.15000       46.21274 41.15000       46.21274 0.000000       0.000000 27.58420 11.12089 ?        ?        ?              ?        
1 1 1 -3  24 53 o 42.43761 8.328934 105.1844       33.36172 135.0000       47.08290 75.12000       47.27891 45.88002 10.68416 33.23047 11.70175 12.64956       15.84557 
1 1 1 -3  24 54 o 34.25052 9.333179 73.11884       32.13620 109.6000       45.30950 36.19000       45.58666 40.33578 11.11893 26.26918 10.87006 14.06660       15.54956 
1 1 1 -3  24 55 o 31.66413 9.544388 63.93795       32.02280 71.05000       44.83258 56.53000       45.75570 31.94664 11.38102 29.25940 11.28730 2.687239       16.02906 
1 1 1 -3  25 1  o 236.6090 4.833088 2749.243       111.9340 2920.000       233.5089 2698.301       127.5427 242.3580 9.863893 234.2779 5.561834 8.080109       11.32388 
1 1 1 -3  25 2  o 214.7369 4.498999 2263.451       94.56465 2156.000       184.6888 2301.630       110.0904 208.4482 9.073561 216.4339 5.196585 -7.985733      10.45629 
1 1 1 -3  25 3  o 163.6809 4.390879 1315.854       70.28510 1177.000       117.3907 1393.443       87.75191 154.1992 7.802959 168.3015 5.333485 -14.10226      9.451572 
1 1 1 -3  25 4  o 191.7724 4.150817 1804.479       77.91588 1836.000       159.4845 1794.598       89.29810 192.4844 8.485652 191.1685 4.772211 1.315872       9.735517 
1 1 1 -3  25 5  o 191.8738 4.823683 1809.209       90.52243 1729.000       155.0972 1850.648       111.4801 186.7612 8.506536 193.8680 5.881491 -7.106705      10.34181 
1 1 1 -3  25 6  o 231.8427 4.752186 2639.716       107.8433 2747.000       222.8479 2606.908       123.2346 235.0387 9.707306 230.2695 5.467517 4.769211       11.14116 
1 1 1 -3  25 7  o 214.3894 5.203520 2259.068       109.1960 2271.000       191.3107 2253.303       132.9868 213.8163 9.162210 213.7988 6.361808 0.1750183E-01  11.15431 
1 1 1 -3  25 8  o 132.5070 3.956860 862.2751       51.26357 888.1000       94.70502 851.5724       60.96773 133.9434 7.250493 131.5828 4.741385 2.360550       8.663162 
1 1 1 -3  25 9  o 232.3590 5.487744 2655.853       124.8129 2668.000       219.6269 2650.059       151.6884 231.4463 9.716196 231.7243 6.694681 -0.2780914     11.79929 
1 1 1 -3  25 10 o 52.17984 5.099228 135.1169       25.71232 0.000000       0.000000 135.1169       25.71232 ?        ?        52.17984 5.099228 ?              ?        
1 1 1 -3  25 11 o 166.1153 5.332869 1358.875       86.59917 0.000000       0.000000 1358.875       86.59917 ?        ?        166.1153 5.332869 ?              ?        
1 1 1 -3  25 12 o 107.6432 4.254836 569.9283       44.74242 0.000000       0.000000 569.9283       44.74242 ?        ?        107.6432 4.254836 ?              ?        
1 1 1 -3  25 13 o 70.20368 3.241010 242.2339       22.21126 370.8000       61.70386 223.0950       23.80715 86.26494 7.378325 67.32984 3.625756 18.93510       8.221057 
1 1 1 -3  25 14 o 156.0673 3.624539 1195.435       55.36954 1434.000       128.0690 1140.591       61.40505 169.9190 7.720261 152.3272 4.122110 17.59180       8.751813 
1 1 1 -3  25 15 o 212.4569 4.415460 2219.105       91.82333 2218.000       188.5325 2219.449       105.1358 210.6534 9.165417 212.3240 5.058774 -1.670639      10.46881 
1 1 1 -3  25 16 o 161.1993 3.651093 1276.011       57.60923 1390.000       127.3260 1246.669       64.59973 167.0787 7.807150 159.2044 4.148963 7.874237       8.841125 
1 1 1 -3  25 17 o 67.85765 2.852693 226.2506       18.90559 364.9000       61.17286 211.6094       19.87875 85.41428 7.389424 65.59676 3.104809 19.81752       8.015200 
1 1 1 -3  25 18 o 109.5065 5.037760 592.4962       53.85404 581.8000       77.07462 602.7000       75.27934 107.9404 7.338568 109.9591 7.031043 -2.018700      10.16318 
1 1 1 -3  25 19 f 58.01037 6.524401 168.9784       36.40538 198.1000       52.59917 142.2000       50.43874 62.25377 8.883593 52.19451 10.23857 10.05925       13.55531 
1 1 1 -3  25 20 o 84.90501 5.348789 357.7740       44.22649 334.8000       62.51042 380.8000       62.58103 81.43923 7.942557 87.06342 7.413922 -5.624184      10.86510 
1 1 1 -3  25 21 o 137.3906 5.238521 935.0157       70.31945 959.3000       100.6958 911.9000       98.24302 138.3210 7.464985 134.8479 7.472273 3.473160       10.56224 
1 1 1 -3  25 22 o 123.8070 5.099566 759.7413       61.66716 729.9000       86.48878 790.6000       87.95065 120.5256 7.366368 125.5306 7.187910 -5.004959      10.29220 
1 1 1 -3  25 23 o 104.1890 5.077627 538.8529       51.62725 570.8000       74.80820 509.8000       71.33920 106.4888 7.219619 100.5829 7.295583 5.905907       10.26394 
1 1 1 -3  25 24 o 73.82400 5.661060 272.5625       40.59526 298.8000       58.95155 248.9000       55.98408 76.53587 7.986465 69.64024 8.381203 6.895622       11.57705 
1 1 1 -3  25 25 o 94.79961 7.545744 456.4000       69.44144 456.4000       69.44144 0.000000       0.000000 94.79961 7.545744 ?        ?        ?              ?        
1 1 1 -3  25 26 o 29.72757 9.836373 44.43775       33.30459 30.41000       46.83282 58.79000       47.37141 28.96022 11.34936 34.16406 11.73182 -5.203836      16.32310 
1 1 1 -3  25 27 o 34.36821 9.507741 63.14312       33.06385 27.13000       47.36903 97.36000       46.17260 28.45595 11.33145 42.19137 11.05093 -13.73542      15.82798 
1 1 1 -3  25 28 o 96.94298 7.367270 479.7000       69.38489 0.000000       0.000000 479.7000       69.38489 ?        ?        96.94298 7.367270 ?              ?        
1 1 1 -3  25 29 o 73.44521 5.704646 271.8267       40.68946 272.5000       58.60268 271.2000       56.53991 72.33621 8.434756 72.31390 8.128385 0.2230835E-01  11.71391 
1 1 1 -3  25 30 o 34.89745 9.551936 65.96874       33.57343 56.21000       49.78248 74.11000       45.47003 33.50180 11.98642 36.81612 11.42678 -3.314316      16.56037 
1 1 1 -3  25 31 o 116.0155 5.083085 673.9725       57.58301 752.7000       86.60862 611.6000       77.08942 121.1600 7.337293 109.2345 7.250934 11.92552       10.31561 
1 1 1 -3  25 32 o 77.76740 5.435788 305.0755       41.11716 310.6000       60.38536 300.3000       56.14302 77.09434 8.124073 76.06783 7.643798 1.026505       11.15474 
1 1 1 -3  25 33 o 46.87278 7.543472 115.6541       33.43547 78.36000       46.78083 154.6000       47.80561 37.34750 11.59009 53.36045 9.501127 -16.01295      14.98672 
1 1 1 -3  25 34 o 52.37364 6.932982 143.0738       34.66965 101.8000       48.55613 186.0000       49.51861 42.00589 11.48303 58.75577 8.887559 -16.74988      14.52063 
1 1 1 -3  25 35 o 37.35033 9.267154 77.78378       33.71769 21.51000       45.74881 144.7000       49.88759 26.41509 10.90597 50.57357 10.42442 -24.15847      15.08670 
1 1 1 -3  25 36 o 58.43344 6.459955 177.8774       36.33234 125.9000       49.34849 239.4000       53.68886 46.43600 11.02299 66.56777 8.428381 -20.13177      13.87602 
1 1 1 -3  25 37 o 29.37601 9.534986 47.72440       31.36001 49.24000       44.00254 46.16000       44.70532 30.44461 11.21395 29.93588 11.24927 0.5087299      15.88391 
1 1 1 -3  25 38 o 65.35473 8.327092 232.8000       52.06115 232.8000       52.06115 0.000000       0.000000 65.35473 8.327092 ?        ?        ?              ?        
1 1 1 -3  25 39 o 38.74381 11.36586 91.23000       45.90106 91.23000       45.90106 0.000000       0.000000 38.74381 11.36586 ?        ?        ?              ?        
1 1 1 -3  25 40 o 24.23589 9.353385 26.44160       31.42941 -3.425000      44.19205 57.01000       44.70824 22.24904 9.939161 31.56138 11.35104 -9.312340      15.08751 
1 1 1 -3  25 41 o 58.98787 9.223631 197.2000       51.51321 0.000000       0.000000 197.2000       51.51321 ?        ?        58.98787 9.223631 ?              ?        
1 1 1 -3  25 42 o 62.50052 6.066360 205.1060       36.64608 190.4000       51.74827 219.9000       51.90286 57.51585 9.524912 62.61612 8.703298 -5.100266      12.90238 
1 1 1 -3  25 43 o 52.11367 6.989685 146.6322       34.75637 135.7000       49.81745 157.0000       48.51433 46.98658 11.02314 51.63230 9.960272 -4.645721      14.85653 
1 1 1 -3  25 44 o 15.66181 7.395405 -25.62094      29.70056 -60.34000      42.91143 6.306000       41.14979 16.67413 8.126516 22.37432 9.810878 -5.700193      12.73945 
1 1 1 -3  25 45 o 25.06377 9.436798 32.63728       31.49356 -5.148000      45.17694 68.36000       43.92661 21.75162 9.853512 32.89928 11.29722 -11.14765      14.99062 
1 1 1 -3  25 46 o 39.80811 8.896390 93.02700       33.79154 99.88000       49.20495 86.91000       46.48764 38.78119 11.86039 36.41155 11.58944 2.369640       16.58264 
1 1 1 -3  25 47 o 30.93156 9.514546 57.75144       31.60813 66.89000       45.81368 49.45000       43.66497 32.33931 11.50657 29.07635 11.07408 3.262960       15.96986 
1 1 1 -3  25 48 o 27.37390 10.90609 39.85000       43.90126 39.85000       43.90126 0.000000       0.000000 27.37390 10.90609 ?        ?        ?              ?        
1 1 1 -3  25 49 o 17.38147 7.957312 -11.16722      30.46141 -13.51000      44.07037 -9.024000      42.15156 20.48749 9.449229 20.53081 9.384506 -0.4332161E-01 13.31754 
1 1 1 -3  25 50 o 31.66781 11.32745 64.52000       44.45633 0.000000       0.000000 64.52000       44.45633 ?        ?        31.66781 11.32745 ?              ?        
1 1 1 -3  25 51 o 20.07995 8.624552 8.431651       30.47582 28.29000       43.95019 -9.960000      42.29602 25.38230 10.60198 20.36561 9.343224 5.016689       14.13145 
1 1 1 -3  25 52 o 15.28038 7.280512 -28.46671      30.07327 -71.75000      42.57603 14.63000       42.48417 15.63472 7.714805 23.12841 10.05817 -7.493682      12.67616 
1 1 1 -3  25 53 o 23.30712 10.15352 16.36000       43.45213 16.36000       43.45213 0.000000       0.000000 23.30712 10.15352 ?        ?        ?              ?        
1 1 1 -3  25 54 f 24.23325 9.309361 32.36066       31.03300 56.06000       43.81214 8.498000       43.96283 29.24119 11.10314 22.27061 9.933456 6.970573       14.89809 
1 1 1 -3  26 1  o 213.0322 4.470075 2228.805       93.21080 2365.000       194.2483 2188.064       106.2415 218.0723 9.120327 210.9576 5.145086 7.114655       10.47150 
1 1 1 -3  26 2  o 127.6929 3.429618 800.2243       42.82776 828.4000       90.46376 792.0850       48.62181 129.3281 7.174317 126.9880 3.916353 2.340172       8.173656 
1 1 1 -3  26 3  o 162.6245 3.777213 1297.588       60.12619 1393.000       127.3584 1270.224       68.20556 167.6432 7.782553 160.7786 4.337928 6.864624       8.909867 
1 1 1 -3  26 4  o 288.1091 5.696390 4085.960       160.6434 4352.000       335.9985 4007.126       182.9024 294.4260 11.68202 285.0507 6.555279 9.375336       13.39557 
1 1 1 -3  26 5  o 103.6961 3.943749 528.5022       39.95635 567.9000       74.10765 512.3553       47.44287 107.0002 7.116189 101.9972 4.765174 5.002983       8.564288 
1 1 1 -3  26 6  o 208.7259 4.396240 2139.850       89.81815 2386.000       194.5208 2073.149       101.2589 218.9448 9.096454 205.3322 5.038136 13.61261       10.39847 
1 1 1 -3  26 7  o 163.8569 4.344636 1319.671       69.62113 1568.000       136.1553 1231.755       81.01314 177.7871 7.843290 158.1456 5.240737 19.64153       9.433055 
1 1 1 -3  26 8  o 225.4464 5.415816 2501.843       119.5125 2665.000       216.6432 2430.470       143.2881 231.0794 9.598963 221.8015 6.607298 9.277954       11.65317 
1 1 1 -3  26 9  o 224.1686 4.644690 2470.221       101.9149 2478.000       207.0636 2467.734       117.0780 222.7716 9.517873 223.8972 5.342205 -1.125626      10.91463 
1 1 1 -3  26 10 f 148.7953 5.172401 1091.044       75.21886 0.000000       0.000000 1091.044       75.21886 ?        ?        148.7953 5.172401 ?              ?        
1 1 1 -3  26 11 o 30.57539 6.888090 48.04495       20.11839 0.000000       0.000000 48.04495       20.11839 ?        ?        30.57539 6.888090 ?              ?        
1 1 1 -3  26 12 o 104.8820 3.607922 540.6719       36.98428 0.000000       0.000000 540.6719       36.98428 ?        ?        104.8820 3.607922 ?              ?        
1 1 1 -3  26 13 o 102.3555 3.621684 515.0883       36.22787 698.7000       80.35717 468.2484       40.58659 118.5600 6.954914 97.49683 4.263213 21.06319       8.157562 
1 1 1 -3  26 14 o 134.8334 3.384421 893.0704       44.63181 1085.000       103.7488 849.4849       49.44051 147.6941 7.198196 131.4281 3.847301 16.26598       8.161847 
1 1 1 -3  26 15 o 37.70647 4.423659 70.91951       16.01679 0.000000       0.000000 70.91951       16.01679 ?        ?        37.70647 4.423659 ?              ?        
1 1 1 -3  26 16 o 93.76368 2.960032 431.8823       27.13269 514.2000       69.01096 416.8311       29.50913 101.4976 6.989009 92.07440 3.279483 9.423180       7.720185 
1 1 1 -3  26 17 f 55.65253 3.414290 152.7454       18.50956 0.000000       0.000000 152.7454       18.50956 ?        ?        55.65253 3.414290 ?              ?        
1 1 1 -3  26 18 o 129.7845 5.111056 833.5850       64.80217 973.1000       98.13162 725.7000       86.29366 139.4957 7.211387 120.3585 7.359992 19.13716       10.30406 
1 1 1 -3  26 19 o 74.11423 5.657472 273.7869       40.73198 316.0000       59.60385 236.8000       55.79232 79.04102 7.805780 68.08313 8.560804 10.95789       11.58523 
1 1 1 -3  26 20 o 53.92989 7.104407 147.7780       36.59156 98.30000       51.53082 198.1000       51.96853 42.82975 11.87757 62.03366 8.805814 -19.20391      14.78577 
1 1 1 -3  26 21 o 88.85122 5.239287 392.6384       45.36384 421.5000       65.04166 365.3000       63.30202 91.38763 7.332549 84.90448 7.700608 6.483147       10.63323 
1 1 1 -3  26 22 o 104.2953 5.081626 540.5515       51.72071 612.4000       76.68710 480.6000       70.05080 110.2302 7.145992 97.49650 7.395533 12.73366       10.28393 
1 1 1 -3  26 23 o 105.0364 5.076030 548.8945       52.03346 561.0000       74.39295 537.3000       72.80557 105.3052 7.261784 103.0458 7.264750 2.259422       10.27181 
1 1 1 -3  26 24 o 61.31156 9.297565 197.2000       54.04972 197.2000       54.04972 0.000000       0.000000 61.31156 9.297565 ?        ?        ?              ?        
1 1 1 -3  26 25 o 111.1651 5.092349 616.0527       55.26340 551.4000       75.82699 689.3000       80.70984 104.0498 7.495428 116.6134 7.104566 -12.56357      10.32745 
1 1 1 -3  26 26 o 54.90411 6.957832 154.5312       36.55409 91.90000       51.72886 217.0000       51.66179 40.82462 12.08954 64.61386 8.364495 -23.78924      14.70108 
1 1 1 -3  26 27 o 63.49570 8.851874 211.8000       53.52212 0.000000       0.000000 211.8000       53.52212 ?        ?        63.49570 8.851874 ?              ?        
1 1 1 -3  26 28 o 43.81657 8.430258 101.9461       34.84399 96.62000       50.19362 106.9000       48.40854 41.57091 11.79271 43.83912 11.23173 -2.268204      16.28556 
1 1 1 -3  26 29 o 74.04642 5.755816 277.0047       41.38997 266.3000       59.11337 287.3000       57.97184 71.22317 8.656826 74.31232 8.100851 -3.089157      11.85599 
1 1 1 -3  26 30 o 41.68478 8.617186 93.30243       33.99763 85.41000       49.78341 100.2000       46.54011 39.00747 11.92996 42.27607 11.10532 -3.268597      16.29884 
1 1 1 -3  26 31 o 52.07420 6.961848 140.6817       34.59748 99.90000       49.70838 179.0000       48.18367 41.89619 11.68328 57.96123 8.766468 -16.06504      14.60651 
1 1 1 -3  26 32 o 77.66346 5.316448 304.7779       40.17142 292.8000       56.19032 317.3000       57.45266 74.79453 7.789107 77.99027 7.623218 -3.195747      10.89879 
1 1 1 -3  26 33 o 30.33973 9.417844 50.07536       30.88624 42.13000       42.36467 59.09000       45.12541 29.48210 10.97672 33.00773 11.44520 -3.525627      15.85816 
1 1 1 -3  26 34 o 63.45214 6.140799 207.6710       37.66357 173.0000       51.36220 248.0000       55.39477 55.76641 9.765080 67.87236 8.525794 -12.10595      12.96325 
1 1 1 -3  26 35 o 47.35715 7.774603 120.9342       34.78928 171.7000       48.28459 66.13000       50.16841 55.67718 9.179440 34.03561 12.04788 21.64157       15.14640 
1 1 1 -3  26 36 o 62.40030 6.185277 202.4637       37.28251 218.5000       51.85238 185.3000       53.64411 63.20273 8.604852 57.15876 9.949337 6.043972       13.15419 
1 1 1 -3  26 37 o 34.53031 11.22857 70.67000       43.47850 70.67000       43.47850 0.000000       0.000000 34.53031 11.22857 ?        ?        ?              ?        
1 1 1 -3  26 38 o 26.27430 9.456653 35.82774       31.03743 33.20000       42.60264 38.80000       45.30942 27.14389 10.76657 28.40636 11.15400 -1.262472      15.50260 
1 1 1 -3  26 39 f 50.76355 10.12283 150.2000       48.53389 0.000000       0.000000 150.2000       48.53389 ?        ?        50.76355 10.12283 ?              ?        
1 1 1 -3  26 40 o 26.01148 9.627111 34.71160       32.49768 47.44000       46.90396 22.96000       45.06830 29.74756 11.44049 25.68273 10.73236 4.064833       15.68656 
1 1 1 -3  26 41 o 30.21376 9.547702 53.05497       31.60003 66.22000       44.87872 40.11000       44.50206 32.98678 11.41512 28.15297 11.05428 4.833809       15.89031 
1 1 1 -3  26 42 o 29.60821 9.551347 50.99008       31.49713 40.10000       44.72008 61.71000       44.36932 28.06004 11.06195 31.96272 11.32864 -3.902674      15.83366 
1 1 1 -3  26 43 o 42.37304 8.467782 102.7300       33.89177 68.41000       48.45590 135.6000       47.42123 32.93460 11.82064 47.05025 10.55704 -14.11565      15.84862 
1 1 1 -3  26 44 o 42.13400 8.491180 102.1818       33.80800 111.6000       48.43048 93.23000       47.21610 41.47829 11.51924 37.75080 11.63175 3.727489       16.37042 
1 1 1 -3  26 45 o 37.22560 9.222383 82.77631       33.42958 44.29000       47.74120 119.8000       46.82525 28.47668 11.36390 43.39705 11.00825 -14.92037      15.82150 
1 1 1 -3  26 46 o 37.93251 8.925719 85.08934       32.58435 27.42000       45.28513 147.0000       46.92085 25.65205 10.74156 49.12858 10.09501 -23.47653      14.74077 
1 1 1 -3  26 47 o 34.52052 11.51646 78.45000       45.63125 78.45000       45.63125 0.000000       0.000000 34.52052 11.51646 ?        ?        ?              ?        
1 1 1 -3  26 48 o 37.53202 9.109416 84.34182       33.12316 142.9000       49.06578 35.31000       44.89768 47.57105 10.78669 26.66536 10.88374 20.90569       15.32346 
1 1 1 -3  26 49 o 28.87885 11.09026 49.50000       44.03180 0.000000       0.000000 49.50000       44.03180 ?        ?        28.87885 11.09026 ?              ?        
1 1 1 -3  26 50 o 22.30527 9.036169 21.08267       30.67581 56.10000       44.18863 -11.49000      42.61826 29.92458 11.19674 20.24751 9.321830 9.677073       14.56927 
1 1 1 -3  26 51 o 22.36768 8.966068 22.54548       29.85531 7.868000       41.64189 38.07000       42.82661 22.11500 9.776418 26.58012 10.70938 -4.465122      14.50066 
1 1 1 -3  26 52 o 30.38547 9.541275 57.90458       31.60501 38.69000       43.86901 78.64000       45.57208 26.54260 10.78646 33.72474 11.50895 -7.182146      15.77351 
1 1 1 -3  26 53 o 35.45621 9.225396 78.69971       32.31895 98.07000       45.49154 58.96000       45.92331 37.39809 11.39756 29.65479 11.34160 7.743294       16.07907 
1 1 1 -3  27 1  o 76.16382 3.587948 285.3088       26.67341 354.2000       59.18731 267.7516       29.87964 84.30282 7.242793 73.71394 4.157994 10.58888       8.351465 
1 1 1 -3  27 2  o 103.0048 3.927677 521.7319       39.52785 479.0000       70.37778 541.4237       47.77511 98.09177 7.384090 104.8327 4.667550 -6.740952      8.735606 
1 1 1 -3  27 3  o 139.6797 3.529374 958.0473       48.21579 1019.000       102.3097 940.6447       54.66720 143.2857 7.318954 138.3328 4.041674 4.952835       8.360754 
1 1 1 -3  27 4  o 161.8001 3.754829 1285.220       59.46687 1411.000       127.3014 1250.112       67.25604 168.5192 7.738167 159.4386 4.313510 9.080627       8.859210 
1 1 1 -3  27 5  o 101.4333 3.765435 505.8354       37.32051 595.9000       72.56046 473.4394       43.51799 109.5728 6.798851 98.02318 4.547986 11.54967       8.179765 
1 1 1 -3  27 6  o 98.22295 3.814102 474.4661       36.60035 452.7000       67.53477 483.5174       43.55050 95.32436 7.293365 99.06329 4.503097 -3.738930      8.571526 
1 1 1 -3  27 7  o 86.97532 3.330586 371.7485       28.30216 436.5000       64.58173 356.3568       31.48676 93.61790 7.100605 85.10107 3.789460 8.516830       8.048515 
1 1 1 -3  27 8  o 125.1275 3.369940 768.9882       41.23685 879.3000       92.40291 741.5550       46.07998 133.0180 7.122882 122.8088 3.838046 10.20920       8.091109 
1 1 1 -3  27 9  o 52.77388 6.546674 139.8520       33.09312 0.000000       0.000000 139.8520       33.09312 ?        ?        52.77388 6.546674 ?              ?        
1 1 1 -3  27 10 o 39.08759 5.226823 76.63361       19.49705 0.000000       0.000000 76.63361       19.49705 ?        ?        39.08759 5.226823 ?              ?        
1 1 1 -3  27 11 o 58.92723 4.132719 171.5909       23.68622 177.7000       53.00344 170.0664       26.47707 58.81446 9.532967 58.58796 4.655200 0.2265015      10.60888 
1 1 1 -3  27 12 o 93.17823 3.679610 427.3009       33.49406 513.1000       69.70246 401.5410       38.19255 101.3992 7.066983 90.22202 4.337444 11.17719       8.291903 
1 1 1 -3  27 13 o 86.87189 3.224962 371.0825       27.37509 360.9000       63.39966 373.4160       30.35013 84.73478 7.728963 87.09956 3.567455 -2.364784      8.512556 
1 1 1 -3  27 14 o 96.51444 3.543704 458.4543       33.42089 0.000000       0.000000 458.4543       33.42089 ?        ?        96.51444 3.543704 ?              ?        
1 1 1 -3  27 15 o 42.41174 4.038334 89.34706       16.56256 180.1000       50.40562 78.36264       17.53627 59.18333 8.982904 39.59926 4.610341 19.58406       10.09692 
1 1 1 -3  27 16 o 67.63345 3.002842 225.1029       19.82970 310.5000       56.77199 213.2367       21.16261 78.46048 7.482771 65.78548 3.297004 12.67500       8.176925 
1 1 1 -3  27 17 o 44.81823 3.454511 99.37731       15.03784 232.3000       51.11863 86.78453       15.73405 67.60020 7.872620 41.79987 3.890215 25.80033       8.781339 
1 1 1 -3  27 18 o 78.40422 2.843326 302.3487       21.78475 367.7000       61.22662 292.8762       23.31016 85.32753 7.403900 77.12930 3.093868 8.198227       8.024323 
1 1 1 -3  27 19 o 105.7127 5.073084 554.9266       52.34026 551.6000       74.32053 558.2000       73.72369 104.5927 7.305336 105.2638 7.198523 -0.6711502     10.25605 
1 1 1 -3  27 20 o 126.6671 5.168406 797.4191       63.94600 745.4000       88.55432 854.1000       92.43721 121.4434 7.485925 130.1319 7.286092 -8.688469      10.44635 
1 1 1 -3  27 21 o 49.88787 7.553512 128.2491       35.73212 125.6000       50.52436 130.9000       50.54132 48.19372 10.95898 49.28277 10.77806 -1.089050      15.37094 
1 1 1 -3  27 22 o 113.7458 5.156253 644.7568       57.25917 650.1000       80.55434 639.3000       81.40577 113.2053 7.308748 112.1775 7.456162 1.027824       10.44089 
1 1 1 -3  27 23 o 81.33131 7.913532 339.5000       62.20346 339.5000       62.20346 0.000000       0.000000 81.33131 7.913532 ?        ?        ?              ?        
1 1 1 -3  27 24 o 43.64229 8.313848 100.4138       34.21886 83.64000       48.67814 116.8000       48.11236 39.10802 11.76295 46.21220 10.82701 -7.104183      15.98722 
1 1 1 -3  27 25 o 24.45135 10.50689 3.486000       45.26912 0.000000       0.000000 3.486000       45.26912 ?        ?        24.45135 10.50689 ?              ?        
1 1 1 -3  27 26 o 28.30940 11.13056 29.95000       45.17046 0.000000       0.000000 29.95000       45.17046 ?        ?        28.30940 11.13056 ?              ?        
1 1 1 -3  27 27 o 58.79343 6.637378 177.0977       37.53024 130.5000       53.45387 222.4000       52.70560 48.30136 11.47665 65.11672 8.469595 -16.81536      14.26351 
1 1 1 -3  27 28 o 22.06074 9.127619 10.32710       32.13832 22.97000       47.43937 -0.3975000     43.69240 27.47879 11.19819 23.40980 10.19013 4.068995       15.14061 
1 1 1 -3  27 29 o 43.57555 8.374049 101.5413       34.42032 87.54000       50.05613 114.1000       47.40718 39.34215 11.94878 45.13976 10.86178 -5.797611      16.14781 
1 1 1 -3  27 30 o 45.83277 7.752267 111.1279       33.53973 88.26000       48.31371 132.4000       46.59750 39.39877 11.68779 48.99903 10.05297 -9.600266      15.41644 
1 1 1 -3  27 31 o 59.00860 6.324354 179.3413       35.95980 137.7000       49.17545 227.2000       52.71896 49.53645 10.47000 65.30731 8.444543 -15.77086      13.45106 
1 1 1 -3  27 32 f 126.5430 5.144747 808.8202       63.59190 818.6000       89.39143 798.8000       90.48358 125.3429 7.317843 123.6112 7.513841 1.731697       10.48850 
1 1 1 -3  27 33 o 57.29136 6.561472 171.1664       36.13260 118.3000       48.51777 237.0000       54.14204 45.01245 11.08613 66.20583 8.554484 -21.19338      14.00291 
1 1 1 -3  27 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  27 35 o 37.61751 8.927349 79.86134       32.37495 46.23000       44.17120 118.9000       47.58987 29.78539 11.18417 44.77195 10.95125 -14.98656      15.65297 
1 1 1 -3  27 36 o 46.17392 10.35420 124.9000       45.63985 124.9000       45.63985 0.000000       0.000000 46.17392 10.35420 ?        ?        ?              ?        
1 1 1 -3  27 37 o 52.63390 6.789639 147.3858       34.16585 153.3000       47.97605 141.3000       48.66698 51.55511 9.866359 48.97876 10.46874 2.576359       14.38540 
1 1 1 -3  27 38 o 22.56133 9.931861 2.640000       42.55117 0.000000       0.000000 2.640000       42.55117 ?        ?        22.56133 9.931861 ?              ?        
1 1 1 -3  27 39 o 32.53740 9.605596 62.11388       32.69739 32.03000       46.80099 90.80000       45.70082 27.19222 11.10701 38.17611 11.37779 -10.98390      15.90030 
1 1 1 -3  27 40 o 33.36794 9.419369 65.53365       32.10334 100.0000       46.09952 33.08000       44.73325 39.95623 11.29028 26.97642 10.91794 12.97981       15.70579 
1 1 1 -3  27 41 o 39.67123 8.731469 90.56689       32.98455 74.41000       46.66438 106.7000       46.63003 34.37032 11.64734 41.19599 11.24945 -6.825668      16.19292 
1 1 1 -3  27 42 o 37.37214 9.130463 82.46120       33.11011 63.33000       46.52122 102.1000       47.13433 31.93450 11.56643 39.78247 11.47372 -7.847965      16.29198 
1 1 1 -3  27 43 o 25.60130 9.461676 35.40396       31.37041 40.15000       44.43989 30.69000       44.28942 27.62496 10.98369 26.11830 10.75166 1.506660       15.37009 
1 1 1 -3  27 44 o 24.17333 9.340123 29.04913       31.36695 15.83000       45.23716 41.29000       43.53116 24.08170 10.42633 27.63608 10.90800 -3.554379      15.08949 
1 1 1 -3  27 45 o 40.87497 8.504273 97.02824       32.91597 79.48000       47.01450 113.9000       46.09941 34.66269 11.69116 42.11707 11.04735 -7.454384      16.08500 
1 1 1 -3  27 46 o 64.46164 8.728569 240.1000       53.66071 240.1000       53.66071 0.000000       0.000000 64.46164 8.728569 ?        ?        ?              ?        
1 1 1 -3  27 47 o 27.82522 9.576798 45.85536       31.57195 13.21000       44.98307 77.55000       44.32322 23.57365 10.29910 34.32550 11.34705 -10.75184      15.32407 
1 1 1 -3  27 48 o 26.16368 10.66718 33.82000       43.07096 0.000000       0.000000 33.82000       43.07096 ?        ?        26.16368 10.66718 ?              ?        
1 1 1 -3  27 49 o 32.90570 9.465625 66.75873       32.11893 76.49000       46.27166 57.71000       44.61945 33.69908 11.59402 30.17639 11.25918 3.522692       16.16138 
1 1 1 -3  27 50 o 19.71880 8.535281 7.090620       30.30077 -14.75000      42.18008 30.38000       43.55659 19.73200 9.151060 25.43866 10.58437 -5.706663      13.99181 
1 1 1 -3  27 51 o 28.57945 9.533791 50.67434       31.27209 79.15000       44.54441 23.00000       43.91317 33.91325 11.37956 24.23956 10.38083 9.673691       15.40312 
1 1 1 -3  27 52 o 23.14903 9.153832 27.55346       30.70754 25.12000       42.35458 30.25000       44.58530 24.08660 10.25157 25.04216 10.58203 -0.9555588     14.73343 
1 1 1 -3  28 1  o 103.6264 3.324666 527.6707       33.67923 599.3000       74.71840 509.4066       37.72945 109.7170 6.993817 101.7531 3.794795 7.963943       7.957006 
1 1 1 -3  28 2  o 75.68584 3.514531 281.9008       25.96575 259.0000       57.22560 287.8381       29.13793 71.61910 8.317633 76.43133 3.907734 -4.812225      9.189853 
1 1 1 -3  28 3  o 87.74397 3.352850 378.5184       28.74338 386.7000       62.79866 376.3502       32.32851 87.93821 7.363233 87.43730 3.786285 0.5009079      8.279683 
1 1 1 -3  28 4  o 117.7707 3.919666 682.4833       45.12187 673.0000       80.86475 686.7709       54.37376 116.2269 7.142482 117.9988 4.717173 -1.771912      8.559601 
1 1 1 -3  28 5  o 60.73936 4.347502 182.4446       25.67643 230.9000       53.35849 167.8432       29.29068 67.56642 8.238128 58.11038 5.204607 9.456039       9.744470 
1 1 1 -3  28 6  o 183.0964 4.042483 1648.587       72.44930 1523.000       141.5968 1693.124       84.32293 174.4594 8.315816 185.3529 4.651396 -10.89345      9.528289 
1 1 1 -3  28 7  o 32.92979 6.470887 55.55414       20.11316 0.000000       0.000000 55.55414       20.11316 ?        ?        32.92979 6.470887 ?              ?        
1 1 1 -3  28 8  o 191.8970 5.917533 1823.832       111.0186 0.000000       0.000000 1823.832       111.0186 ?        ?        191.8970 5.917533 ?              ?        
1 1 1 -3  28 9  o 64.81570 3.551296 207.0722       22.44454 276.4000       56.73070 194.2069       24.43851 73.98280 7.958992 62.70227 4.002754 11.28053       8.908850 
1 1 1 -3  28 10 o 78.45100 4.194424 303.8866       32.09190 382.4000       61.67343 274.7344       37.58046 87.31318 7.282515 74.40282 5.192794 12.91035       8.944279 
1 1 1 -3  28 11 o 115.3732 3.312324 654.5807       37.36752 727.1000       83.77338 636.5681       41.75115 120.5826 7.129482 113.6955 3.756779 6.887032       8.058716 
1 1 1 -3  28 12 o 157.5929 4.281438 1224.907       65.98268 1271.000       121.4865 1205.621       78.58353 159.1166 7.824208 156.0781 5.150847 3.038498       9.367468 
1 1 1 -3  28 13 o 92.01735 5.141938 420.0807       46.12878 485.6000       69.69358 369.0000       61.53705 98.30605 7.294781 85.58586 7.418820 12.72019       10.40446 
1 1 1 -3  28 14 o 56.17595 3.416166 155.7796       18.69553 227.9000       53.69435 145.8301       19.94347 66.76530 8.401835 54.29276 3.776312 12.47254       9.211480 
1 1 1 -3  28 15 o 134.0836 3.387037 885.0294       44.41748 799.3000       92.10603 911.0080       50.70271 125.9886 7.502779 135.9330 3.814429 -9.944450      8.416743 
1 1 1 -3  28 16 o 46.20710 3.644037 105.7993       16.34823 0.000000       0.000000 105.7993       16.34823 ?        ?        46.20710 3.644037 ?              ?        
1 1 1 -3  28 17 f 89.25079 3.658515 393.1443       31.89345 0.000000       0.000000 393.1443       31.89345 ?        ?        89.25079 3.658515 ?              ?        
1 1 1 -3  28 18 o 35.40828 3.829848 62.55381       13.06270 0.000000       0.000000 62.55381       13.06270 ?        ?        35.40828 3.829848 ?              ?        
1 1 1 -3  28 19 o 21.23895 8.988397 3.954627       32.24730 -25.95000      45.73131 33.53000       45.47886 21.33858 9.761724 29.28280 11.26441 -7.944227      14.90565 
1 1 1 -3  28 20 o 119.1442 5.125070 707.4052       59.62965 628.4000       80.79935 801.9000       88.36582 111.1627 7.469138 125.7869 7.207161 -14.62421      10.37936 
1 1 1 -3  28 21 o 43.89924 11.39023 106.0000       49.35872 106.0000       49.35872 0.000000       0.000000 43.89924 11.39023 ?        ?        ?              ?        
1 1 1 -3  28 22 o 101.5762 7.402556 526.5000       73.09518 526.5000       73.09518 0.000000       0.000000 101.5762 7.402556 ?        ?        ?              ?        
1 1 1 -3  28 23 o 51.81755 7.226188 138.7187       35.65598 83.92000       49.54340 197.6000       51.35577 39.03710 11.89377 61.30582 8.810981 -22.26871      14.80187 
1 1 1 -3  28 24 o 101.1389 7.336384 523.7000       72.13467 0.000000       0.000000 523.7000       72.13467 ?        ?        101.1389 7.336384 ?              ?        
1 1 1 -3  28 25 o 41.77704 8.935855 93.88039       35.43534 97.66000       51.41212 90.46000       48.90788 41.65647 11.97349 40.21964 11.71368 1.436829       16.75037 
1 1 1 -3  28 26 o 86.17091 5.474482 373.9174       45.93658 289.9000       63.49288 466.2000       66.54264 74.09972 8.933989 95.32298 7.184637 -21.22326      11.46452 
1 1 1 -3  28 27 o 81.58276 5.512143 336.0244       43.75906 312.2000       62.31623 359.2000       61.46193 77.09833 8.392838 83.22639 7.629445 -6.128067      11.34232 
1 1 1 -3  28 28 o 58.04964 6.503144 173.3424       36.31684 109.5000       50.39830 242.3000       52.37845 43.80496 11.58006 67.94389 8.030868 -24.13892      14.09229 
1 1 1 -3  28 29 o 71.77161 5.569160 261.4818       38.81853 231.4000       53.54794 294.8000       56.35495 65.95896 8.490707 74.99614 7.790290 -9.037178      11.52305 
1 1 1 -3  28 30 o 29.90296 9.474903 48.44487       31.10132 6.040000       42.47309 97.47000       45.66835 23.63342 10.16661 41.13508 11.09107 -17.50166      15.04566 
1 1 1 -3  28 31 o 54.28282 6.808434 154.3015       35.38197 74.05000       46.78756 261.5000       54.07520 35.80280 11.64843 70.03728 8.033151 -34.23449      14.14982 
1 1 1 -3  28 32 o 90.32944 5.261198 415.3554       46.31657 413.2000       63.53485 417.8000       67.66290 88.45307 7.406187 88.51460 7.892307 -0.6152344E-01 10.82313 
1 1 1 -3  28 33 o 26.13696 9.418246 34.70701       30.79645 2.747000       41.83601 72.51000       45.49984 22.66859 9.917350 35.01571 11.49298 -12.34712      15.18033 
1 1 1 -3  28 34 o 48.05775 7.349812 124.2221       33.47674 88.85000       44.83248 168.8000       50.32940 38.41365 11.22279 54.42025 9.809095 -16.00660      14.90534 
1 1 1 -3  28 35 f 55.54845 9.122147 173.5000       47.87909 173.5000       47.87909 0.000000       0.000000 55.54845 9.122147 ?        ?        ?              ?        
1 1 1 -3  28 36 o 51.66121 6.952241 142.8738       34.26414 111.6000       46.45097 180.2000       50.74717 42.87956 11.01089 56.12247 9.581483 -13.24290      14.59604 
1 1 1 -3  28 37 o 60.69856 9.183568 208.6000       52.85918 0.000000       0.000000 208.6000       52.85918 ?        ?        60.69856 9.183568 ?              ?        
1 1 1 -3  28 38 o 42.14962 8.279428 99.94003       32.93939 106.6000       45.58062 92.66000       47.65526 41.56452 11.02429 38.27682 11.66549 3.287697       16.05050 
1 1 1 -3  28 39 o 32.68554 9.378037 62.98305       31.56610 64.45000       44.51985 61.50000       44.76357 32.47406 11.36138 31.89549 11.37124 0.5785637      16.07439 
1 1 1 -3  28 40 o 26.24691 9.553810 37.26331       31.79323 1.212000       45.29332 72.28000       44.63866 22.61946 10.08627 33.92674 11.39167 -11.30729      15.21522 
1 1 1 -3  28 41 o 32.25560 9.600618 62.72320       32.55597 139.8000       48.15992 -2.139000      44.17939 47.58310 10.61066 21.86041 9.837920 25.72269       14.46965 
1 1 1 -3  28 42 o 28.13208 9.626774 46.47864       31.88965 37.39000       45.27134 55.43000       44.92815 27.18911 10.99083 30.22341 11.29379 -3.034296      15.75906 
1 1 1 -3  28 43 o 36.31522 9.200869 79.09277       32.73909 80.46000       46.96197 77.80000       45.66538 34.87199 11.68407 34.43341 11.52141 0.4385757      16.40916 
1 1 1 -3  28 44 o 18.33659 8.175715 -2.372786      29.75205 -1.840000      42.34983 -2.892000      41.80693 21.34923 9.617858 21.11967 9.531461 0.2295609      13.54075 
1 1 1 -3  28 45 o 25.25263 10.48668 27.88000       42.63866 27.88000       42.63866 0.000000       0.000000 25.25263 10.48668 ?        ?        ?              ?        
1 1 1 -3  28 46 o 21.69010 8.940839 17.43613       30.68165 14.99000       43.90909 19.77000       42.88968 23.59232 10.24299 24.07555 10.28358 -0.4832287     14.51451 
1 1 1 -3  28 47 o 29.33592 11.18500 52.47000       44.57450 0.000000       0.000000 52.47000       44.57450 ?        ?        29.33592 11.18500 ?              ?        
1 1 1 -3  28 48 o 25.69901 9.488071 37.38641       31.53166 10.21000       44.55276 64.66000       44.63235 22.95091 10.13064 31.42383 11.33627 -8.472923      15.20331 
1 1 1 -3  28 49 o 22.22682 8.985610 21.63718       30.26193 43.51000       42.24189 -1.424000      43.37423 27.40345 10.76692 21.32298 9.657569 6.080465       14.46358 
1 1 1 -3  28 50 o 29.52271 9.533692 54.58844       31.37556 89.35000       44.41116 19.95000       44.33244 36.03500 11.30961 23.86006 10.32596 12.17494       15.31446 
1 1 1 -3  28 51 o 44.15863 7.988281 114.3923       33.25760 113.3000       45.89627 115.6000       48.25934 40.53521 11.19723 40.45686 11.59172 0.7834244E-01  16.11663 
1 1 1 -3  29 1  o 130.6272 3.469684 839.2026       44.32461 853.6000       92.99152 834.9698       50.42090 130.6631 7.299857 130.2009 3.960917 0.4621582      8.305225 
1 1 1 -3  29 2  f 125.9621 3.439719 780.3255       42.37038 803.7000       88.95803 773.4669       48.18732 126.8063 7.196554 125.3131 3.933403 1.493233       8.201344 
1 1 1 -3  29 3  o 101.3087 3.895983 505.7447       38.56204 600.9000       73.95883 470.2179       45.19096 109.6701 6.924986 97.51735 4.748661 12.15272       8.396739 
1 1 1 -3  29 4  o 129.3006 5.032804 826.9271       63.57505 915.2000       94.55574 754.1000       85.88570 135.3208 7.164194 122.7957 7.176762 12.52507       10.14059 
1 1 1 -3  29 5  o 102.3453 3.313466 515.2521       33.15003 539.8000       72.07926 508.6669       37.33258 103.8178 7.136448 101.6144 3.759899 2.203453       8.066333 
1 1 1 -3  29 6  o 187.7448 4.739386 1740.885       87.02594 0.000000       0.000000 1740.885       87.02594 ?        ?        187.7448 4.739386 ?              ?        
1 1 1 -3  29 7  o 128.2105 3.856862 809.8910       48.34704 0.000000       0.000000 809.8910       48.34704 ?        ?        128.2105 3.856862 ?              ?        
1 1 1 -3  29 8  o 41.02049 4.771755 84.19520       18.80232 108.9000       50.01400 80.12893       20.29078 45.16290 11.33328 39.89469 5.329279 5.268208       12.52376 
1 1 1 -3  29 9  o 111.1669 3.683429 608.9014       40.02525 0.000000       0.000000 608.9014       40.02525 ?        ?        111.1669 3.683429 ?              ?        
1 1 1 -3  29 10 o 78.88686 4.193964 307.7386       32.26800 415.0000       62.51489 268.7824       37.67473 90.84184 7.086618 73.48340 5.272923 17.35844       8.833112 
1 1 1 -3  29 11 f 105.3211 3.953538 547.4866       40.68513 557.9000       74.19128 543.0084       48.65314 105.2907 7.242870 104.6913 4.760273 0.5993271      8.667143 
1 1 1 -3  29 12 o 92.01768 3.227114 416.9525       29.02144 408.8000       65.74122 418.9258       32.34358 89.89838 7.540434 92.16821 3.591972 -2.269829      8.352269 
1 1 1 -3  29 13 o 36.13567 5.201443 66.02689       17.86853 127.4000       48.77176 56.51176       19.20378 48.86946 10.50837 33.17167 6.140532 15.69779       12.17095 
1 1 1 -3  29 14 o 44.95993 3.876235 100.4219       16.89213 156.6000       50.85558 93.45510       17.90894 54.47008 9.903054 43.28755 4.282766 11.18253       10.78947 
1 1 1 -3  29 15 o 91.71399 3.134997 414.3747       28.10218 376.0000       64.24944 423.4530       31.24996 85.93825 7.720132 92.65044 3.451880 -6.712196      8.456709 
1 1 1 -3  29 16 o 75.57626 3.064709 281.5366       22.62451 292.6000       58.46144 279.5878       24.53638 75.52931 8.030622 75.26400 3.338868 0.2653122      8.697064 
1 1 1 -3  29 17 o 103.9439 3.067576 532.3380       31.17635 494.4000       71.19424 541.3392       34.67812 98.57235 7.433540 104.7434 3.386834 -6.171036      8.168731 
1 1 1 -3  29 18 o 49.32703 3.296080 120.4433       15.82303 0.000000       0.000000 120.4433       15.82303 ?        ?        49.32703 3.296080 ?              ?        
1 1 1 -3  29 19 f 26.02445 10.83037 13.79000       45.61859 13.79000       45.61859 0.000000       0.000000 26.02445 10.83037 ?        ?        ?              ?        
1 1 1 -3  29 20 o 50.70779 10.56182 139.9000       50.71804 139.9000       50.71804 0.000000       0.000000 50.70779 10.56182 ?        ?        ?              ?        
1 1 1 -3  29 21 o 67.62439 6.066637 231.6673       39.73041 203.9000       54.90029 262.2000       57.56924 61.99846 9.336026 70.89513 8.462919 -8.896664      12.60089 
1 1 1 -3  29 22 o 89.24539 5.290251 399.6530       46.00610 378.0000       64.55540 422.0000       65.58165 85.56705 7.793033 90.63625 7.458137 -5.069206      10.78681 
1 1 1 -3  29 23 f 80.72112 7.790576 337.3000       60.79104 0.000000       0.000000 337.3000       60.79104 ?        ?        80.72112 7.790576 ?              ?        
1 1 1 -3  29 24 o 56.06971 6.947622 162.2409       37.31518 107.1000       52.43979 218.8000       53.10987 43.44782 11.95600 64.39768 8.643631 -20.94986      14.75325 
1 1 1 -3  29 25 o 27.43620 9.749685 36.51262       32.88198 7.326000       46.22113 66.42000       46.78836 24.92749 10.66220 34.97818 11.66139 -10.05069      15.80096 
1 1 1 -3  29 26 o 49.56453 7.364199 128.6716       34.64330 165.7000       49.72647 93.75000       48.29109 55.25811 9.538223 40.57600 11.58581 14.68211       15.00696 
1 1 1 -3  29 27 o 23.41781 9.216412 19.85105       30.99698 2.599000       43.13080 38.28000       44.57769 23.46159 10.16920 29.21901 11.17439 -5.757416      15.10892 
1 1 1 -3  29 28 o 37.65955 9.057211 78.33817       32.97644 26.11000       44.02454 145.1000       49.77446 26.92695 10.85494 50.84343 10.35371 -23.91648      15.00097 
1 1 1 -3  29 29 o 41.13475 8.526982 92.63766       33.20449 28.67000       43.91745 178.0000       50.73295 27.17346 10.88063 56.82283 9.453390 -29.64937      14.41370 
1 1 1 -3  29 30 o 58.42952 6.527836 178.1062       36.69712 102.4000       48.38792 280.6000       56.30154 41.52315 11.50755 72.37621 8.085231 -30.85306      14.06395 
1 1 1 -3  29 31 o 59.75105 6.404620 186.6281       36.87424 232.4000       51.24970 137.5000       53.09538 65.50944 8.169531 47.93375 11.46998 17.57569       14.08196 
1 1 1 -3  29 32 o 48.23847 7.244197 124.7168       33.14928 148.1000       45.91560 99.26000       47.90818 51.14987 9.521131 40.44418 11.53706 10.70569       14.95847 
1 1 1 -3  29 33 o 68.63912 5.696875 243.6154       37.93045 227.0000       50.77280 264.6000       57.05939 64.43061 8.238950 69.30604 8.595129 -4.875427      11.90616 
1 1 1 -3  29 34 o 17.32778 8.230749 -36.10000      37.84644 -36.10000      37.84644 0.000000       0.000000 17.32778 8.230749 ?        ?        ?              ?        
1 1 1 -3  29 35 o 35.12808 9.234422 71.43830       32.16457 9.524000       42.48286 154.6000       49.23569 23.40907 10.11950 51.39955 10.14653 -27.99048      14.33026 
1 1 1 -3  29 36 o 26.71360 10.89894 30.26000       45.00058 0.000000       0.000000 30.26000       45.00058 ?        ?        26.71360 10.89894 ?              ?        
1 1 1 -3  29 37 o 48.87175 7.203928 129.8475       33.42909 140.9000       46.28938 117.8000       48.32826 48.80680 10.02507 43.47985 11.26531 5.326946       15.08009 
1 1 1 -3  29 38 o 30.81181 9.452400 55.95742       31.22244 32.09000       42.51482 83.90000       46.00139 26.41366 10.66039 36.29563 11.52589 -9.881968      15.70000 
1 1 1 -3  29 39 o 58.10965 6.364058 180.2023       35.60697 163.5000       49.37571 198.3000       51.39680 52.33932 10.00235 58.44077 9.295942 -6.101448      13.65510 
1 1 1 -3  29 40 o 37.86731 8.987889 84.75370       32.81188 66.64000       46.19336 103.2000       46.61552 32.34532 11.54924 39.84742 11.38475 -7.502094      16.21720 
1 1 1 -3  29 41 o 32.28162 9.554073 63.40843       32.31424 83.98000       46.40351 44.04000       45.02608 35.63528 11.60099 28.15644 11.09980 7.478848       16.05580 
1 1 1 -3  29 42 o 32.94120 9.557317 66.20110       32.61444 120.2000       46.69128 14.75000       45.57648 43.33170 10.99294 23.93211 10.41263 19.39958       15.14158 
1 1 1 -3  29 43 o 28.38099 9.511378 48.15240       31.12019 67.21000       44.30315 29.59000       43.72377 32.21497 11.32888 25.63218 10.62960 6.582788       15.53486 
1 1 1 -3  29 44 o 39.60065 11.41585 104.1000       46.67047 104.1000       46.67047 0.000000       0.000000 39.60065 11.41585 ?        ?        ?              ?        
1 1 1 -3  29 45 f 32.89677 9.627382 66.83249       32.96743 51.36000       47.00661 81.81000       46.24861 29.22445 11.39437 34.89516 11.59286 -5.670702      16.25503 
1 1 1 -3  29 46 f 18.46986 8.742761 -29.22000      41.98758 0.000000       0.000000 -29.22000      41.98758 ?        ?        18.46986 8.742761 ?              ?        
1 1 1 -3  29 47 o 34.98973 9.409246 75.54214       32.92100 78.97000       46.78430 72.18000       46.33363 34.01704 11.65963 32.72652 11.57885 1.290512       16.43218 
1 1 1 -3  29 48 o 22.32610 9.032200 22.03430       30.60114 42.44000       42.75148 0.5944000      43.82146 27.19984 10.78645 21.59258 9.750391 5.607262       14.54021 
1 1 1 -3  29 49 o 22.36089 8.994795 23.21791       30.15825 54.78000       41.74162 -11.25000      43.62083 29.14553 10.88695 20.19395 9.344624 8.951580       14.34739 
1 1 1 -3  29 50 o 22.08587 8.968706 22.53644       30.30297 30.97000       41.89162 13.28000       43.88778 24.83583 10.36049 22.69526 10.03459 2.140568       14.42334 
1 1 1 -3  30 1  o 104.4090 3.367670 536.7525       34.37205 548.7000       71.22892 533.1259       39.24358 104.5352 7.001631 103.9566 3.863373 0.5785904      7.996779 
1 1 1 -3  30 2  o 84.03732 4.855516 350.3945       39.77047 372.1000       61.73968 335.0000       51.99518 85.85152 7.419754 81.70737 6.556213 4.144157       9.901347 
1 1 1 -3  30 3  o 76.29977 3.523877 287.1135       26.24677 235.7000       57.97219 300.3695       29.43655 67.65750 8.974980 77.98466 3.868380 -10.32716      9.773159 
1 1 1 -3  30 4  f 125.3717 3.419112 773.9395       41.91925 1000.000       98.24538 723.6238       46.35018 141.1424 7.134428 121.1102 3.915032 20.03218       8.138030 
1 1 1 -3  30 5  o 87.48882 3.769128 377.7751       32.20176 0.000000       0.000000 377.7751       32.20176 ?        ?        87.48882 3.769128 ?              ?        
1 1 1 -3  30 6  o 109.0865 3.739778 586.9456       39.87312 0.000000       0.000000 586.9456       39.87312 ?        ?        109.0865 3.739778 ?              ?        
1 1 1 -3  30 7  o 43.29961 4.589133 93.70073       19.15431 118.4000       49.22791 89.29429       20.79283 46.97857 10.91435 42.14360 5.147207 4.834969       12.06718 
1 1 1 -3  30 8  o 88.66705 3.281401 387.3504       28.43007 370.4000       63.80354 391.5497       31.75698 85.42467 7.713559 89.07691 3.649966 -3.652237      8.533536 
1 1 1 -3  30 9  o 70.37437 3.403189 244.3810       23.37316 338.0000       59.53422 227.3216       25.41364 81.60826 7.538069 67.78977 3.845755 13.81849       8.462406 
1 1 1 -3  30 10 f 78.46607 4.336616 305.2418       33.17774 0.000000       0.000000 305.2418       33.17774 ?        ?        78.46607 4.336616 ?              ?        
1 1 1 -3  30 11 o 64.87222 4.509554 209.2610       28.45683 250.6000       54.87995 194.0587       33.28049 69.84738 8.181971 62.21197 5.522567 7.635410       9.871342 
1 1 1 -3  30 12 o 101.2390 3.196332 505.0898       31.63454 646.9000       76.33447 475.6846       34.75996 113.2088 6.921737 98.14783 3.624424 15.06099       7.813251 
1 1 1 -3  30 13 o 62.85302 3.863782 195.8277       23.65598 275.2000       56.10187 178.6637       26.08866 73.19945 7.957960 59.89057 4.482801 13.30888       9.133708 
1 1 1 -3  30 14 o 32.47625 5.551814 54.01988       17.01485 168.4000       49.89834 38.97057       18.09961 56.47697 9.353374 27.29389 6.800005 29.18308       11.56398 
1 1 1 -3  30 15 o 81.83704 3.116633 330.3394       24.91996 470.7000       65.35533 306.4607       26.95648 96.30856 6.980192 78.73724 3.506449 17.57132       7.811419 
1 1 1 -3  30 16 o 49.58475 3.420067 121.8550       16.49758 164.4000       51.33677 116.9553       17.42168 55.48571 9.811209 48.52141 3.695987 6.964294       10.48428 
1 1 1 -3  30 17 o 111.8712 3.163962 617.3516       34.61143 620.1000       78.64101 616.6914       38.54541 110.2612 7.328106 111.7044 3.529730 -1.443222      8.133888 
1 1 1 -3  30 18 o 76.39739 2.946283 287.9204       21.99096 401.4000       61.98904 271.5827       23.52078 88.59976 7.210135 74.13116 3.249384 14.46860       7.908510 
1 1 1 -3  30 19 o 72.48719 8.401737 274.2000       58.50969 274.2000       58.50969 0.000000       0.000000 72.48719 8.401737 ?        ?        ?              ?        
1 1 1 -3  30 20 o 34.20421 11.84230 60.98000       48.30306 0.000000       0.000000 60.98000       48.30306 ?        ?        34.20421 11.84230 ?              ?        
1 1 1 -3  30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  30 22 o 104.3775 7.427837 561.1000       75.39257 0.000000       0.000000 561.1000       75.39257 ?        ?        104.3775 7.427837 ?              ?        
1 1 1 -3  30 23 o 63.34416 6.161572 204.9248       37.72142 196.2000       52.14835 214.5000       54.63045 60.54809 9.078540 63.35921 9.067021 -2.811115      12.83085 
1 1 1 -3  30 24 o 89.26237 5.260837 401.5878       45.76142 340.9000       61.77271 475.4000       68.12553 80.74691 7.917301 95.88888 7.313485 -15.14197      10.77825 
1 1 1 -3  30 25 o 50.51844 7.268033 133.7844       34.90656 138.8000       48.73337 128.5000       50.02251 49.91970 10.31485 47.63678 10.95655 2.282921       15.04800 
1 1 1 -3  30 26 o 31.27680 9.684660 53.64554       32.68414 21.10000       44.50463 91.75000       48.15566 26.22441 10.78470 39.75093 11.63626 -13.52652      15.86545 
1 1 1 -3  30 27 o 55.26787 6.884811 159.8960       36.43992 144.1000       50.12613 177.6000       53.06721 50.36300 10.50857 56.42231 9.973518 -6.059307      14.48796 
1 1 1 -3  30 28 o 36.33478 9.280282 74.31138       33.11937 49.99000       44.50394 104.5000       49.58223 30.82437 11.29037 41.88722 11.66388 -11.06285      16.23326 
1 1 1 -3  30 29 o 23.88827 9.273679 24.08667       31.03201 40.13000       42.01424 4.828000       46.03226 28.55270 10.86557 23.87058 10.42388 4.682117       15.05716 
1 1 1 -3  30 30 o 73.88026 5.470468 280.2817       39.27960 268.3000       53.58256 294.2000       57.75082 70.53799 7.895906 73.68217 8.143068 -3.144173      11.34261 
1 1 1 -3  30 31 o 71.05280 5.551702 260.1468       38.30490 256.5000       53.11149 264.1000       55.29721 68.71827 8.048362 69.53750 8.287024 -0.8192291     11.55209 
1 1 1 -3  30 32 o 32.98694 11.34966 64.47000       44.34199 64.47000       44.34199 0.000000       0.000000 32.98694 11.34966 ?        ?        ?              ?        
1 1 1 -3  30 33 o 31.74748 9.545887 58.51892       32.06171 77.92000       42.83791 33.81000       48.34396 35.75783 11.08994 27.77364 11.30965 7.984192       15.83967 
1 1 1 -3  30 34 o 68.10100 5.955230 242.2868       39.29803 231.3000       53.18321 255.5000       58.32341 64.36877 8.660525 67.28545 9.087667 -2.916672      12.55350 
1 1 1 -3  30 35 o 43.96933 11.63142 121.9000       50.82426 0.000000       0.000000 121.9000       50.82426 ?        ?        43.96933 11.63142 ?              ?        
1 1 1 -3  30 36 o 29.71876 9.532001 51.52302       31.40061 -11.09000      41.59346 134.5000       47.88191 20.52352 9.358598 47.00946 10.65313 -26.48594      14.18001 
1 1 1 -3  30 37 f 35.84580 8.915907 75.02493       31.15346 67.23000       42.71864 83.88000       45.53099 32.93204 11.14415 36.26925 11.46055 -3.337204      15.98551 
1 1 1 -3  30 38 o 24.05438 9.180557 28.71819       30.04924 32.24000       41.09140 24.67000       44.05535 26.06312 10.49401 25.26980 10.58899 0.7933254      14.90808 
1 1 1 -3  30 39 o 24.58318 9.365090 31.13306       31.23266 61.35000       43.62127 -0.6526000     44.73925 31.26954 11.21637 22.01478 9.904351 9.254761       14.96339 
1 1 1 -3  30 40 o 28.99528 9.616912 50.54086       31.82977 45.44000       44.82224 55.73000       45.20844 28.29561 11.09885 30.09976 11.31207 -1.804148      15.84763 
1 1 1 -3  30 41 o 25.71554 9.484976 36.54225       31.49799 45.84000       44.04490 26.81000       45.06231 28.32975 11.03412 25.44549 10.68896 2.884260       15.36247 
1 1 1 -3  30 42 o 35.96607 9.074139 77.89159       31.93861 65.91000       43.46787 91.95000       47.08464 31.90257 11.22136 36.92371 11.65277 -5.021143      16.17733 
1 1 1 -3  30 43 o 30.79177 11.18163 60.55000       43.51482 60.55000       43.51482 0.000000       0.000000 30.79177 11.18163 ?        ?        ?              ?        
1 1 1 -3  30 44 o 28.15596 9.645871 47.76213       32.01845 31.33000       46.24662 62.89000       44.37331 26.01852 10.87215 31.18382 11.29602 -5.165295      15.67813 
1 1 1 -3  30 45 o 31.12667 9.744988 60.31130       32.99364 17.98000       47.43039 100.0000       45.92607 24.33617 10.60489 38.59326 11.38163 -14.25709      15.55651 
1 1 1 -3  30 46 o 41.57996 8.575240 102.2485       33.74144 96.47000       47.56869 108.1000       47.86792 37.39573 11.70014 39.79769 11.58781 -2.401962      16.46726 
1 1 1 -3  30 47 o 21.79952 8.938290 19.55972       30.45331 28.87000       41.89213 9.126000       44.34766 24.89808 10.37147 22.60310 10.03555 2.294981       14.43190 
1 1 1 -3  30 48 o 35.15978 9.187650 76.89593       31.96409 98.84000       44.73655 54.01000       45.68653 37.88428 11.24885 28.94611 11.24809 8.938179       15.90774 
1 1 1 -3  30 49 o 15.43452 7.313307 -23.17536      29.52105 -45.11000      40.60038 1.430000       43.00111 16.56697 8.035247 21.15358 9.594808 -4.586609      12.51501 
1 1 1 -3  31 1  o 37.92767 6.704209 74.11285       23.97898 91.18000       46.40827 67.89682       28.00731 41.06725 11.22608 35.92629 8.151992 5.140953       13.87371 
1 1 1 -3  31 2  o 79.03475 3.504519 308.3740       27.04403 321.7000       58.06451 304.6823       30.56127 79.51119 7.551166 78.45851 3.992595 1.052681       8.541717 
1 1 1 -3  31 3  f 101.1514 3.345185 504.4099       33.07503 469.7000       68.09821 515.1259       37.83775 96.30431 7.277970 102.1162 3.792098 -5.811897      8.206635 
1 1 1 -3  31 4  o 90.79272 3.748234 407.3114       33.23908 0.000000       0.000000 407.3114       33.23908 ?        ?        90.79272 3.748234 ?              ?        
1 1 1 -3  31 5  o 108.8370 3.971682 585.7296       42.24045 494.4000       72.33349 632.9921       52.03457 98.65092 7.548192 112.9136 4.718430 -14.26273      8.901617 
1 1 1 -3  31 6  o 68.70671 3.557366 233.3547       23.84254 261.0000       55.27134 227.0342       26.42787 71.28128 8.063101 67.67654 4.007435 3.604744       9.004062 
1 1 1 -3  31 7  o 48.24604 4.229033 115.9968       19.76967 154.8000       49.82948 108.7478       21.53727 54.00372 9.786899 46.58222 4.791771 7.421501       10.89699 
1 1 1 -3  31 8  o 82.78311 3.356966 338.2897       27.14521 293.4000       60.30902 349.6945       30.39855 75.43128 8.305455 84.09212 3.702176 -8.660843      9.093223 
1 1 1 -3  31 9  o 46.86197 4.161679 109.4897       18.89121 237.8000       53.16044 90.94442       20.21037 67.85098 8.168468 42.50291 4.950464 25.34807       9.551491 
1 1 1 -3  31 10 o 36.70477 5.060888 68.23058       17.69917 62.85000       47.95246 69.07922       19.04384 34.90398 11.80714 36.84209 5.444647 -1.938114      13.00203 
1 1 1 -3  31 11 o 29.17087 5.869235 44.04010       16.17755 175.6000       49.40633 28.24082       17.12141 57.77136 9.032632 23.44940 6.958061 34.32196       11.40189 
1 1 1 -3  31 12 f 78.37598 4.199266 305.1175       32.09771 339.2000       61.98672 292.6307       37.51960 81.19521 7.899145 76.50374 5.038411 4.691475       9.369209 
1 1 1 -3  31 13 o 65.66934 3.384653 213.3245       21.68279 228.1000       54.86432 210.5896       23.60438 66.04560 8.697935 65.17500 3.715424 0.8706055      9.458248 
1 1 1 -3  31 14 o 72.83504 3.733153 262.9428       26.52596 325.9000       58.51464 246.6587       29.75941 79.62269 7.600054 70.38047 4.340947 9.242218       8.752408 
1 1 1 -3  31 15 o 66.76727 3.197027 220.3638       20.83303 236.5000       53.91815 217.5320       22.58718 67.31443 8.362945 66.27187 3.494331 1.042564       9.063619 
1 1 1 -3  31 16 o 27.53186 4.969095 38.91168       12.89855 24.03000       44.54462 40.27368       13.47588 27.19384 10.93417 27.98889 5.106987 -0.7950497     12.06803 
1 1 1 -3  31 17 o 32.59363 4.500346 53.79363       13.97495 60.21000       45.15452 53.11393       14.69652 33.82211 11.45739 32.31285 4.791521 1.509262       12.41896 
1 1 1 -3  31 18 o 40.21059 3.887164 80.85141       15.10904 0.000000       0.000000 80.85141       15.10904 ?        ?        40.21059 3.887164 ?              ?        
1 1 1 -3  31 19 o 49.66583 7.389174 128.7126       34.82947 121.2000       47.07403 137.8000       51.77324 46.79274 10.53258 49.76920 10.92764 -2.976460      15.17724 
1 1 1 -3  31 20 o 75.44428 8.254969 298.5000       59.96651 0.000000       0.000000 298.5000       59.96651 ?        ?        75.44428 8.254969 ?              ?        
1 1 1 -3  31 21 o 73.57619 8.365170 285.3000       59.17626 0.000000       0.000000 285.3000       59.17626 ?        ?        73.57619 8.365170 ?              ?        
1 1 1 -3  31 22 o 64.50356 9.240608 223.9000       56.67879 0.000000       0.000000 223.9000       56.67879 ?        ?        64.50356 9.240608 ?              ?        
1 1 1 -3  31 23 o 85.78749 7.508990 383.7000       62.41881 383.7000       62.41881 0.000000       0.000000 85.78749 7.508990 ?        ?        ?              ?        
1 1 1 -3  31 24 o 35.92254 9.219215 71.67955       32.57664 58.61000       43.97820 87.57000       48.49258 32.78578 11.30210 38.80420 11.75555 -6.018417      16.30737 
1 1 1 -3  31 25 o 52.52664 7.140702 145.4138       35.76379 108.4000       47.97778 191.7000       53.65181 43.08438 11.25516 58.84780 9.648316 -15.76342      14.82460 
1 1 1 -3  31 26 o 44.50739 8.176020 107.8402       34.30670 68.46000       45.77634 158.3000       51.81730 34.48394 11.53535 52.65229 10.42328 -18.16835      15.54700 
1 1 1 -3  31 27 o 56.17016 6.777911 166.2366       36.51309 206.8000       50.47252 121.7000       52.88664 61.46205 8.626775 44.77928 11.87410 16.68277       14.67704 
1 1 1 -3  31 28 o 59.30929 6.368964 184.2348       36.39553 162.9000       48.55272 211.6000       54.98799 53.60748 9.605812 61.35570 9.459677 -7.748219      13.48173 
1 1 1 -3  31 29 o 55.12995 6.498566 160.1594       34.39501 172.9000       47.56833 146.2000       49.79157 55.56476 9.057791 49.92468 10.52142 5.640079       13.88322 
1 1 1 -3  31 30 o 67.75966 5.755657 238.1733       37.81351 259.5000       53.20150 216.4000       53.75558 68.98392 8.028845 62.04867 9.122993 6.935253       12.15283 
1 1 1 -3  31 31 o 38.48762 11.35427 91.37000       45.69917 91.37000       45.69917 0.000000       0.000000 38.48762 11.35427 ?        ?        ?              ?        
1 1 1 -3  31 32 o 74.81484 5.603086 290.0922       40.73381 318.3000       57.61425 261.9000       57.59837 76.45387 7.808342 68.38586 8.809139 8.068008       11.77162 
1 1 1 -3  31 33 o 25.01173 10.44314 21.74000       42.61857 0.000000       0.000000 21.74000       42.61857 ?        ?        25.01173 10.44314 ?              ?        
1 1 1 -3  31 34 o 28.03072 9.558240 44.68839       31.43171 40.92000       43.85201 48.67000       45.07555 28.09091 10.99002 29.52702 11.25014 -1.436111      15.72724 
1 1 1 -3  31 35 o 30.57969 9.468983 55.25427       31.24443 79.68000       42.67722 27.04000       45.86768 35.59157 11.07410 26.01182 10.84526 9.579752       15.50018 
1 1 1 -3  31 36 o 25.23787 9.315385 33.67288       30.39092 58.62000       42.19241 6.774000       43.81182 31.06153 11.04344 22.90874 10.08161 8.152798       14.95314 
1 1 1 -3  31 37 o 35.57878 9.145830 75.50165       32.02443 65.02000       44.36013 86.91000       46.27958 32.06476 11.33097 36.40182 11.56081 -4.337063      16.18775 
1 1 1 -3  31 38 o 30.29096 9.462149 55.40506       31.12424 44.32000       42.08308 68.79000       46.24308 27.98943 10.81751 32.58158 11.56367 -4.592154      15.83468 
1 1 1 -3  31 39 o 51.78438 7.040079 147.8241       34.76149 126.6000       47.59005 172.1000       50.89671 44.34329 11.01406 52.92130 10.19522 -8.578003      15.00840 
1 1 1 -3  31 40 o 45.63041 7.807027 117.9245       33.61692 110.5000       46.30328 126.2000       48.88470 41.15378 11.19847 44.01029 11.29274 -2.856510      15.90382 
1 1 1 -3  31 41 o 28.62664 9.583889 49.59274       31.59741 58.16000       42.36283 38.85000       47.43749 30.33393 11.03011 27.24883 11.16227 3.085100       15.69266 
1 1 1 -3  31 42 o 45.03931 7.938785 116.1447       33.72034 96.34000       45.48981 140.3000       50.23855 37.92645 11.36292 46.35640 11.19848 -8.429943      15.95374 
1 1 1 -3  31 43 o 25.14549 10.51566 27.92000       43.31474 0.000000       0.000000 27.92000       43.31474 ?        ?        25.14549 10.51566 ?              ?        
1 1 1 -3  31 44 o 31.54328 9.573102 61.95637       32.13845 79.32000       45.82584 45.15000       45.08448 34.11915 11.54235 27.86514 11.06829 6.254009       15.99165 
1 1 1 -3  31 45 o 32.17377 9.520836 64.59507       32.09160 48.58000       44.45688 82.02000       46.37246 28.33756 11.07167 34.51877 11.61095 -6.181215      16.04357 
1 1 1 -3  31 46 o 26.35987 9.410762 41.47224       30.66952 30.95000       42.07613 53.40000       44.79824 25.15790 10.42967 28.97753 11.17122 -3.819624      15.28313 
1 1 1 -3  31 47 o 27.97859 9.514741 48.91267       31.14318 42.21000       42.67435 56.55000       45.55263 26.79943 10.72734 29.28872 11.27176 -2.489281      15.56048 
1 1 1 -3  31 48 o 27.10131 9.470410 46.18209       30.92798 20.91000       42.00968 76.09000       45.70058 23.29452 10.06647 32.48725 11.49898 -9.192734      15.28268 
1 1 1 -3  32 1  f 35.39441 6.879422 65.23204       22.97499 44.20000       45.84991 72.28363       26.54857 31.08900 11.44768 37.11072 7.565492 -6.021721      13.72174 
1 1 1 -3  32 2  f 88.76405 4.873631 392.8831       42.18191 0.000000       0.000000 392.8831       42.18191 ?        ?        88.76405 4.873631 ?              ?        
1 1 1 -3  32 3  o 64.56185 4.254048 207.3499       26.73362 0.000000       0.000000 207.3499       26.73362 ?        ?        64.56185 4.254048 ?              ?        
1 1 1 -3  32 4  o 77.71285 3.425446 298.4914       25.99249 358.2000       59.94269 284.6647       28.84546 83.72218 7.390384 75.77717 3.902096 7.945007       8.357280 
1 1 1 -3  32 5  o 75.49554 3.474100 281.8377       25.60378 341.4000       59.27580 268.1760       28.38869 81.65383 7.500141 73.52576 3.959171 8.128075       8.480988 
1 1 1 -3  32 6  o 65.86759 3.646027 214.9385       23.41533 225.0000       54.20535 212.6303       25.96263 65.64158 8.646443 65.41335 4.075102 0.2282257      9.558632 
1 1 1 -3  32 7  o 32.24921 5.992318 53.74693       18.21948 119.5000       46.69915 41.94145       19.78758 46.82873 10.45309 28.23149 7.153222 18.59724       12.66632 
1 1 1 -3  32 8  o 50.95746 4.179330 129.5151       20.66290 146.8000       49.32737 125.8366       22.75560 52.18928 10.02027 50.10064 4.694917 2.088638       11.06563 
1 1 1 -3  32 9  o 64.49314 3.570951 206.0782       22.45459 178.0000       50.60043 212.9634       25.05688 57.94317 9.231110 65.48213 3.927339 -7.538963      10.03182 
1 1 1 -3  32 10 o 49.66080 4.033062 122.9565       19.43586 184.9000       47.58632 110.5543       21.29285 59.40117 8.419977 46.91463 4.700034 12.48654       9.642942 
1 1 1 -3  32 11 o 25.81882 6.542189 34.97714       16.55092 82.20000       42.09018 26.33968       18.00105 38.63924 10.74178 22.81883 7.205553 15.82042       12.93468 
1 1 1 -3  32 12 o 39.07482 6.655623 79.26953       24.54454 99.95000       43.99648 69.92503       29.57441 42.54291 10.60348 36.10227 8.509144 6.440643       13.59556 
1 1 1 -3  32 13 o 68.33138 4.410576 233.0508       29.34241 333.1000       54.74974 192.7335       34.75527 80.63593 7.006079 61.65532 5.828128 18.98061       9.113298 
1 1 1 -3  32 14 o 53.49293 3.584774 142.1688       18.66166 205.9000       47.99025 130.8148       20.25589 62.78051 7.990271 51.18882 4.076332 11.59169       8.970001 
1 1 1 -3  32 15 o 25.93998 6.001606 35.23606       14.93584 56.62000       41.62877 32.07665       16.00120 32.76551 11.00090 24.71089 6.521472 8.054625       12.78864 
1 1 1 -3  32 16 o 31.02175 4.884992 49.16765       14.34324 51.36000       42.54782 48.88656       15.23501 31.70473 11.10584 30.84077 5.233638 0.8639507      12.27724 
1 1 1 -3  32 17 o 65.44543 3.126934 211.9588       19.97313 221.9000       50.96820 210.1552       21.70948 64.95759 8.198358 65.09568 3.419137 -0.1380920     8.882768 
1 1 1 -3  32 18 o 76.42294 2.985032 288.6962       22.28655 242.4000       55.36698 297.6478       24.34600 67.63615 8.554066 77.53957 3.214704 -9.903427      9.138182 
1 1 1 -3  32 19 o 33.10518 5.542512 56.60680       17.32577 0.000000       0.000000 56.60680       17.32577 ?        ?        33.10518 5.542512 ?              ?        
1 1 1 -3  32 20 o 47.99281 7.677087 121.8895       34.84948 119.2000       46.91681 125.2000       52.05136 45.99571 10.63354 46.71329 11.46942 -0.7175827     15.64033 
1 1 1 -3  32 21 o 22.34417 9.153378 13.56729       31.90033 16.03000       41.57079 10.04000       49.75098 24.90155 10.34887 25.72385 11.03355 -0.8223019     15.12740 
1 1 1 -3  32 22 o 61.45548 6.422392 195.4786       38.06379 217.2000       51.71492 169.8000       56.22854 63.56401 8.526735 54.57727 10.90710 8.986736       13.84450 
1 1 1 -3  32 23 o 59.67329 9.844116 198.5000       55.49613 0.000000       0.000000 198.5000       55.49613 ?        ?        59.67329 9.844116 ?              ?        
1 1 1 -3  32 24 o 91.13535 5.452585 423.8753       48.41781 407.6000       67.33440 441.3000       69.67163 87.38107 7.959799 90.99733 7.900269 -3.616264      11.21484 
1 1 1 -3  32 25 o 23.27461 10.06363 6.992000       42.03373 6.992000       42.03373 0.000000       0.000000 23.27461 10.06363 ?        ?        ?              ?        
1 1 1 -3  32 26 o 35.84033 9.306806 73.58832       32.93550 81.88000       44.59660 63.64000       48.84896 36.87569 11.29395 33.13945 11.87155 3.736244       16.38558 
1 1 1 -3  32 27 o 75.45987 5.512525 293.2366       40.43584 290.0000       55.49438 296.9000       59.03999 73.21658 7.866677 73.67352 8.333193 -0.4569397     11.45979 
1 1 1 -3  32 28 o 41.99830 8.188489 98.07916       32.45236 118.2000       44.27539 74.72000       47.70546 44.73291 10.32163 34.99081 11.77669 9.742092       15.65971 
1 1 1 -3  32 29 o 37.83558 8.845080 81.79788       32.16725 70.92000       43.14649 95.41000       48.26543 34.21680 11.18957 39.07006 11.70420 -4.853256      16.19243 
1 1 1 -3  32 30 o 17.07329 8.160530 -40.15000      38.41384 -40.15000      38.41384 0.000000       0.000000 17.07329 8.160530 ?        ?        ?              ?        
1 1 1 -3  32 31 o 48.49442 7.179769 127.5856       33.05238 122.2000       45.32880 133.7000       48.29866 45.06548 10.47550 46.98099 10.73787 -1.915516      15.00126 
1 1 1 -3  32 32 o 22.13711 9.785160 2.736000       41.70578 0.000000       0.000000 2.736000       41.70578 ?        ?        22.13711 9.785160 ?              ?        
1 1 1 -3  32 33 o 38.74006 8.692604 86.61956       32.14992 71.50000       44.91894 102.5000       46.03532 33.74765 11.42750 40.25137 11.25024 -6.503719      16.03607 
1 1 1 -3  32 34 o 40.55704 8.395952 94.11610       32.23192 81.55000       44.19110 108.4000       47.11488 35.77203 11.28900 41.22071 11.32862 -5.448677      15.99310 
1 1 1 -3  32 35 o 38.43790 8.810259 86.53959       32.43736 97.88000       44.65399 73.87000       47.19840 39.05822 11.13724 33.76396 11.70526 5.294262       16.15708 
1 1 1 -3  32 36 o 42.63465 8.215119 104.4429       33.04009 79.40000       44.83701 134.2000       48.87523 34.75870 11.40898 45.83147 11.02897 -11.07277      15.86830 
1 1 1 -3  32 37 o 27.86987 9.555988 46.12013       31.42621 34.51000       42.39548 60.28000       46.81991 26.23636 10.62506 30.84587 11.52856 -4.609510      15.67800 
1 1 1 -3  32 38 o 20.14883 8.619295 9.133904       30.21257 36.32000       41.62328 -21.14000      43.92352 26.41857 10.58776 19.65969 9.191106 6.758879       14.02060 
1 1 1 -3  32 39 o 22.71120 9.028815 23.59097       30.02505 33.31000       40.80837 12.12000       44.33408 25.79977 10.43293 23.24127 10.18743 2.558498       14.58183 
1 1 1 -3  32 40 o 22.58185 9.849286 11.68000       40.99110 11.68000       40.99110 0.000000       0.000000 22.58185 9.849286 ?        ?        ?              ?        
1 1 1 -3  32 41 o 24.08880 9.245044 30.33172       30.58565 21.77000       41.71055 40.29000       44.98396 24.02600 10.19755 27.16201 10.96446 -3.136019      14.97363 
1 1 1 -3  32 42 o 29.29092 11.24596 53.26000       45.26982 0.000000       0.000000 53.26000       45.26982 ?        ?        29.29092 11.24596 ?              ?        
1 1 1 -3  32 43 o 21.86860 9.020587 19.00572       31.25988 35.90000       44.16353 2.043000       44.25290 26.24521 10.76281 21.82481 9.831892 4.420401       14.57753 
1 1 1 -3  32 44 o 38.13190 8.953112 88.11597       32.84225 172.0000       46.38589 3.796000       46.50627 53.47219 9.193767 22.38608 10.08242 31.08611       13.64480 
1 1 1 -3  32 45 o 24.78249 9.335495 34.71770       30.82945 57.27000       42.13316 8.728000       45.23027 29.58846 10.95982 22.56617 10.06977 7.022289       14.88348 
1 1 1 -3  32 46 o 28.73156 9.702147 52.62408       32.37818 84.05000       43.81312 14.81000       48.06035 34.59364 11.27328 23.48340 10.43560 11.11024       15.36192 
1 1 1 -3  32 47 o 30.80141 9.494240 61.52771       31.45349 90.16000       43.34467 29.68000       45.71374 35.59349 11.17327 24.78312 10.60206 10.81037       15.40278 
1 1 1 -3  33 1  o 103.1310 4.666479 530.4178       46.98491 0.000000       0.000000 530.4178       46.98491 ?        ?        103.1310 4.666479 ?              ?        
1 1 1 -3  33 2  o 83.36643 4.659304 346.9437       37.86929 0.000000       0.000000 346.9437       37.86929 ?        ?        83.36643 4.659304 ?              ?        
1 1 1 -3  33 3  o 87.92587 3.381819 382.3186       29.05112 409.0000       63.20045 375.1707       32.71185 89.30521 7.293444 86.96505 3.852417 2.340164       8.248361 
1 1 1 -3  33 4  o 73.72012 3.534074 269.2122       25.42735 285.8000       56.65345 265.0278       28.45430 74.23645 7.918667 73.02169 3.996211 1.214760       8.869892 
1 1 1 -3  33 5  o 25.82288 7.104231 35.03893       18.51752 115.4000       45.88289 19.40309       20.23897 45.79826 10.46469 21.04494 7.628071 24.75331       12.94980 
1 1 1 -3  33 6  o 18.97638 7.102818 14.33797       17.78556 75.59000       44.69400 2.813278       19.38669 37.06007 11.29774 16.63088 7.000073 20.42918       13.29060 
1 1 1 -3  33 7  o 117.8736 3.381092 686.9050       38.97004 678.9000       81.39054 689.2859       44.38894 115.1239 7.259711 117.9020 3.851507 -2.778076      8.218121 
1 1 1 -3  33 8  o 136.2861 4.155385 922.9329       55.36832 1076.000       103.6166 861.7589       65.50459 144.9052 7.329120 131.1811 5.111239 13.72414       8.935366 
1 1 1 -3  33 9  o 68.82693 4.464307 236.7002       29.91364 300.4000       55.10442 210.0854       35.61880 76.24186 7.480089 64.40128 5.709493 11.84058       9.410103 
1 1 1 -3  33 10 o 49.91248 4.152544 124.5475       20.10395 232.1000       49.85871 103.6661       21.96903 66.77228 7.773687 45.26976 5.043431 21.50252       9.266413 
1 1 1 -3  33 11 o 53.44218 3.906247 142.3625       20.29272 147.0000       48.05436 141.3561       22.38672 52.00048 9.800406 53.13914 4.341790 -1.138660      10.71910 
1 1 1 -3  33 12 o 84.70659 3.239894 354.9424       26.81346 330.2000       59.83762 361.1588       29.99330 79.71429 7.767278 85.34058 3.598639 -5.626297      8.560421 
1 1 1 -3  33 13 o 79.18428 4.105111 312.3963       31.70917 378.2000       60.60929 287.5974       37.20745 85.57604 7.305501 75.62099 5.055724 9.955055       8.884295 
1 1 1 -3  33 14 o 36.86114 4.773094 68.98128       16.81772 112.7000       45.98295 62.23022       18.06962 44.85714 10.63538 34.77946 5.489778 10.07768       11.96867 
1 1 1 -3  33 15 o 20.24401 6.686760 20.22362       15.39302 5.127000       42.44361 22.51000       16.51758 23.67691 10.17390 21.21665 6.922361 2.460258       12.30558 
1 1 1 -3  33 16 o 87.78821 3.122035 381.3363       26.78479 335.6000       60.33294 392.5632       29.89201 80.09371 7.794195 88.96985 3.438941 -8.876137      8.519142 
1 1 1 -3  33 17 o 59.89936 3.448295 178.3256       20.13231 0.000000       0.000000 178.3256       20.13231 ?        ?        59.89936 3.448295 ?              ?        
1 1 1 -3  33 18 o 21.51270 9.785637 -17.30000      45.12471 0.000000       0.000000 -17.30000      45.12471 ?        ?        21.51270 9.785637 ?              ?        
1 1 1 -3  33 19 o 50.37597 3.985009 127.2398       19.48988 131.0000       46.14569 126.4234       21.50180 48.26830 10.09228 50.07248 4.432763 -1.804173      11.02286 
1 1 1 -3  33 20 f 51.41756 7.128575 139.5337       34.91349 119.3000       46.85196 164.8000       52.35542 45.51543 10.69815 54.01276 10.27822 -8.497334      14.83551 
1 1 1 -3  33 21 o 65.09907 5.904038 218.3802       37.21228 162.2000       48.62411 297.8000       57.81289 53.88515 9.569381 74.58632 8.045962 -20.70116      12.50242 
1 1 1 -3  33 22 o 53.87627 6.767060 152.9397       34.90120 142.1000       47.99901 165.1000       50.83883 49.78258 10.19366 53.89921 10.00446 -4.116634      14.28285 
1 1 1 -3  33 23 o 39.97665 8.722168 89.64695       33.16814 79.87000       45.34252 100.9000       48.64509 36.45297 11.42570 40.68889 11.63148 -4.235920      16.30454 
1 1 1 -3  33 24 o 49.23085 7.128558 129.8663       33.35295 127.6000       45.49372 132.5000       49.04231 46.77291 10.22297 47.21952 10.84021 -0.4466019     14.90031 
1 1 1 -3  33 25 o 32.06752 11.37608 59.51000       44.75048 0.000000       0.000000 59.51000       44.75048 ?        ?        32.06752 11.37608 ?              ?        
1 1 1 -3  33 26 o 19.95035 8.586268 4.647098       30.32216 -18.47000      42.96333 27.59000       42.80116 20.29567 9.349605 26.11908 10.63945 -5.823412      14.16379 
1 1 1 -3  33 27 o 64.90150 8.352897 233.0000       51.83477 233.0000       51.83477 0.000000       0.000000 64.90150 8.352897 ?        ?        ?              ?        
1 1 1 -3  33 28 o 21.75829 9.589368 2.005000       39.77364 2.005000       39.77364 0.000000       0.000000 21.75829 9.589368 ?        ?        ?              ?        
1 1 1 -3  33 29 o 23.83907 9.242428 25.99143       30.79232 54.00000       41.33860 -8.919000      46.15173 30.48536 10.92087 21.84446 9.920777 8.640907       14.75423 
1 1 1 -3  33 30 o 44.45218 7.946644 110.3206       33.30744 125.4000       45.88147 93.52000       48.42939 45.44294 10.52244 38.16110 11.78413 7.281834       15.79834 
1 1 1 -3  33 31 o 23.28123 10.15447 9.467000       43.57204 0.000000       0.000000 9.467000       43.57204 ?        ?        23.28123 10.15447 ?              ?        
1 1 1 -3  33 32 o 31.05151 9.330223 57.26819       30.63711 57.61000       41.52865 56.86000       45.38218 30.82057 10.95638 30.72911 11.37597 0.9145927E-01  15.79415 
1 1 1 -3  33 33 o 18.03662 8.099776 -5.226309      29.76893 -9.686000      40.91683 -0.2109000     43.39131 20.31877 9.271728 21.89925 9.810976 -1.580481      13.49890 
1 1 1 -3  33 34 o 22.97485 9.092242 24.03413       30.31809 8.439000       41.37903 42.11000       44.54873 22.43104 9.836889 27.79074 11.01402 -5.359699      14.76729 
1 1 1 -3  33 35 o 30.28773 9.504032 55.76989       31.36411 37.76000       42.35308 77.64000       46.67184 26.78067 10.69798 34.14944 11.64714 -7.368765      15.81463 
1 1 1 -3  33 36 o 43.50498 8.325801 109.8440       34.16338 116.2000       47.61428 103.1000       49.04616 41.91479 11.33506 38.85928 11.83280 3.055504       16.38593 
1 1 1 -3  33 37 o 20.05415 8.579249 9.025569       29.93539 26.28000       40.69527 -11.32000      44.19046 24.67939 10.24645 20.62570 9.494594 4.053688       13.96915 
1 1 1 -3  33 38 o 24.29382 9.167518 31.63368       29.75934 25.75000       40.08353 38.86000       44.42222 24.40697 10.15424 26.90294 10.88291 -2.495972      14.88443 
1 1 1 -3  33 39 o 20.90092 9.355687 1.301000       39.36610 1.301000       39.36610 0.000000       0.000000 20.90092 9.355687 ?        ?        ?              ?        
1 1 1 -3  33 40 o 22.16282 8.996248 20.96809       30.47475 29.79000       42.31308 11.46000       43.92787 25.23375 10.45986 22.94681 10.09678 2.286936       14.53801 
1 1 1 -3  33 41 o 38.88448 11.68227 104.0000       48.03297 0.000000       0.000000 104.0000       48.03297 ?        ?        38.88448 11.68227 ?              ?        
1 1 1 -3  33 42 o 24.48431 9.326784 32.77929       30.97633 30.89000       43.14076 34.79000       44.50541 25.32187 10.53458 26.03364 10.75341 -0.7117691     15.05368 
1 1 1 -3  33 43 o 28.00303 9.501664 48.21476       31.05577 73.26000       42.56256 19.70000       45.41507 32.92123 11.12385 24.02146 10.42332 8.899763       15.24420 
1 1 1 -3  33 44 o 42.10180 8.256957 104.9213       32.81084 116.5000       44.52369 91.16000       48.53898 41.77431 10.80742 35.54514 11.87812 6.229168       16.05896 
1 1 1 -3  33 45 o 20.79293 8.721771 16.00685       29.93418 -0.5754000E-01 39.89160 36.71000       45.28638 20.41412 9.252239 25.88379 10.78288 -5.469664      14.20825 
1 1 1 -3  33 46 o 39.40640 8.757421 95.89125       32.90282 97.32000       45.12918 94.27000       48.07348 36.71902 11.38177 35.52898 11.81982 1.190037       16.40893 
1 1 1 -3  34 1  o 64.59837 4.269748 208.3744       26.84649 0.000000       0.000000 208.3744       26.84649 ?        ?        64.59837 4.269748 ?              ?        
1 1 1 -3  34 2  o 56.94434 4.680745 162.7960       25.85974 189.1000       51.47990 153.9185       29.90680 59.46971 9.135455 55.05126 5.629206 4.418453       10.73054 
1 1 1 -3  34 3  o 33.93281 6.962676 60.69836       22.35011 100.0000       46.68296 49.01090       25.45734 42.16272 11.14464 30.22722 8.335190 11.93550       13.91684 
1 1 1 -3  34 4  o 65.07496 3.793824 210.5996       24.06079 195.7000       52.56310 214.5492       27.06254 60.48262 9.165446 65.55579 4.240209 -5.073174      10.09875 
1 1 1 -3  34 5  o 78.69618 3.482730 306.9816       26.76102 281.7000       57.72082 313.9039       30.20330 73.32281 8.181684 79.45490 3.895411 -6.132088      9.061687 
1 1 1 -3  34 6  f 127.8989 4.093905 813.5463       51.18597 924.5000       95.77297 769.1814       60.56082 134.0450 7.327247 123.8716 5.005055 10.17336       8.873507 
1 1 1 -3  34 7  o 43.93779 4.580701 97.28637       19.41148 127.0000       47.66689 91.37907       21.25365 47.81504 10.47497 42.38183 5.234396 5.433212       11.70999 
1 1 1 -3  34 8  o 71.18129 3.455598 251.3303       24.00467 302.1000       55.72791 239.7643       26.59879 76.22511 7.568983 69.38322 3.932629 6.841888       8.529658 
1 1 1 -3  34 9  o 72.32078 3.368203 259.3120       23.77787 254.0000       53.64113 260.6111       26.52641 69.54493 8.027137 72.38912 3.756534 -2.844193      8.862645 
1 1 1 -3  34 10 o 30.59917 5.945932 48.88320       17.16703 3.464000       43.31878 57.34525       18.69796 23.64886 10.22086 33.19604 5.974072 -9.547184      11.83873 
1 1 1 -3  34 11 o 38.69308 4.809457 76.02594       17.82325 125.0000       46.56331 67.61862       19.29254 47.32943 10.34074 36.21638 5.624650 11.11304       11.77148 
1 1 1 -3  34 12 o 10.72218 5.067907 -15.49591      14.01112 -9.996000      42.68901 -16.15991      14.83281 21.78172 9.746792 11.05820 5.223016 10.72351       11.05802 
1 1 1 -3  34 13 o 64.22005 5.390171 209.2826       33.57045 226.7000       52.84797 197.5000       43.46670 65.23602 8.476513 61.44114 7.374766 3.794888       11.23559 
1 1 1 -3  34 14 o 46.33913 3.812784 107.4401       17.14118 114.3000       47.09573 106.3926       18.40342 44.74965 10.86272 46.02496 4.128891 -1.275314      11.62095 
1 1 1 -3  34 15 o 24.24472 6.279660 31.16781       15.02030 53.82000       42.58316 27.94901       16.05204 31.69834 11.10994 23.03581 6.711208 8.662521       12.97964 
1 1 1 -3  34 16 o 50.09931 10.23098 141.7000       48.47299 0.000000       0.000000 141.7000       48.47299 ?        ?        50.09931 10.23098 ?              ?        
1 1 1 -3  34 17 o 51.46784 3.450961 132.1435       17.28483 143.6000       48.27885 130.4591       18.51192 50.36708 10.14393 51.05642 3.729938 -0.6893387     10.80795 
1 1 1 -3  34 18 o 47.91376 3.451129 114.6891       16.07712 70.33000       45.89771 120.8930       17.16459 34.81074 11.54828 49.15789 3.592048 -14.34715      12.09403 
1 1 1 -3  34 19 o 38.63262 8.880794 83.66113       32.87876 76.68000       44.14250 92.36000       49.27489 36.03651 11.27032 39.09850 11.85110 -3.061985      16.35447 
1 1 1 -3  34 20 o 63.24831 5.988363 207.6595       36.63194 233.0000       50.44991 179.4000       53.27635 65.60652 8.022834 55.96023 10.09779 9.646290       12.89694 
1 1 1 -3  34 21 o 39.17643 8.380346 85.67224       31.16402 61.99000       41.96217 114.8000       46.53719 32.61226 11.04498 43.82125 10.89569 -11.20899      15.51476 
1 1 1 -3  34 22 o 19.67958 8.338344 6.706313       27.80652 16.33000       38.19513 -4.146000      40.56004 23.66594 9.884171 21.36389 9.534337 2.302044       13.73319 
1 1 1 -3  34 23 o 85.33360 5.085538 372.6276       42.28523 354.6000       58.05416 393.0000       61.71423 81.32733 7.372761 85.57270 7.441836 -4.245369      10.47562 
1 1 1 -3  34 24 o 57.58136 6.191390 174.4537       34.34845 177.7000       46.62284 170.6000       50.79726 56.28065 8.747124 54.14907 9.950486 2.131584       13.24856 
1 1 1 -3  34 25 o 18.87181 8.258046 0.4362383      29.02137 -25.84000      38.68264 34.27000       43.89446 18.40965 8.612771 27.20397 10.88288 -8.794313      13.87865 
1 1 1 -3  34 26 o 37.80308 8.736237 81.93749       31.67789 102.1000       43.19321 58.47000       46.59899 40.93530 10.67207 31.52676 11.55218 9.408543       15.72724 
1 1 1 -3  34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  34 28 o 38.00439 11.84665 93.25000       48.81497 0.000000       0.000000 93.25000       48.81497 ?        ?        38.00439 11.84665 ?              ?        
1 1 1 -3  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  34 30 o 16.70495 7.759300 -17.88430      30.50670 -17.45000      42.40961 -18.35000      43.91579 19.90018 9.210537 20.15739 9.344572 -0.2572136     13.12079 
1 1 1 -3  34 31 o 39.72494 8.720612 91.87823       32.97756 76.51000       44.55369 110.5000       49.04358 34.48372 11.37555 41.12030 11.65411 -6.636574      16.28562 
1 1 1 -3  34 32 o 23.91861 9.250449 28.33924       30.78896 -7.062000      41.49372 71.71000       45.92738 20.62271 9.381923 33.17894 11.54407 -12.55623      14.87568 
1 1 1 -3  34 33 o 38.07258 8.941451 86.47047       32.75006 66.06000       45.21339 109.0000       47.50252 31.89921 11.42195 40.51370 11.46525 -8.614492      16.18373 
1 1 1 -3  34 34 o 23.24199 9.197224 25.65440       31.01997 22.94000       42.65950 28.70000       45.18727 24.39981 10.33268 25.53567 10.71384 -1.135862      14.88458 
1 1 1 -3  34 35 o 21.40062 8.845352 16.77453       30.13882 11.29000       40.69105 23.44000       44.85849 22.48068 9.809023 24.74441 10.54152 -2.263731      14.39933 
1 1 1 -3  34 36 o 52.46795 6.945870 152.0463       34.79654 124.1000       47.04546 185.8000       51.70312 43.62028 11.01729 55.02270 9.966810 -11.40242      14.85658 
1 1 1 -3  34 37 o 22.19223 8.956986 21.45553       30.01481 27.25000       40.00158 13.99000       45.40465 24.58882 10.17930 23.50150 10.30536 1.087322       14.48512 
1 1 1 -3  34 38 o 44.12595 10.77212 126.3000       46.11406 126.3000       46.11406 0.000000       0.000000 44.12595 10.77212 ?        ?        ?              ?        
1 1 1 -3  34 39 o 34.91169 9.348454 75.37585       32.58163 82.09000       45.90516 68.56000       46.25155 34.58201 11.55127 31.90598 11.53606 2.676033       16.32521 
1 1 1 -3  34 40 o 16.51668 8.056692 -55.27000      42.43335 0.000000       0.000000 -55.27000      42.43335 ?        ?        16.51668 8.056692 ?              ?        
1 1 1 -3  34 41 o 27.35875 9.608843 45.74628       31.86445 101.7000       44.00714 -15.92000      46.19899 38.83527 11.05057 20.30310 9.470211 18.53217       14.55335 
1 1 1 -3  34 42 o 23.83491 9.187142 30.58561       30.29487 -11.20000      39.46161 90.56000       47.27639 19.30278 8.916594 35.70763 11.71494 -16.40485      14.72228 
1 1 1 -3  34 43 o 24.64571 9.209766 35.05769       29.87732 3.733000       39.77030 75.64000       45.26722 20.90011 9.375752 32.68419 11.45478 -11.78408      14.80259 
1 1 1 -3  34 44 o 24.80666 9.290662 36.44081       30.43928 33.41000       40.83698 40.23000       45.66116 24.92164 10.29803 26.27760 10.87674 -1.355961      14.97842 
1 1 1 -3  34 45 o 17.33623 7.908335 -5.936204      29.73882 -7.365000      39.64619 -4.098000      44.96899 19.41426 8.957153 20.72144 9.552804 -1.307175      13.09529 
1 1 1 -3  35 1  o 61.66438 4.648513 191.1779       27.85127 181.0000       51.41866 195.4039       33.13262 57.71941 9.426110 62.01545 5.515687 -4.296040      10.92128 
1 1 1 -3  35 2  o 42.35157 5.119153 91.31271       20.79130 56.21000       46.36751 100.1469       23.26086 32.69121 11.58150 44.25739 5.486936 -11.56618      12.81552 
1 1 1 -3  35 3  o 46.39597 4.782847 108.8644       21.40976 156.9000       50.57422 98.37628       23.63177 53.28157 10.06599 43.80291 5.642654 9.478661       11.53965 
1 1 1 -3  35 4  o 85.75159 3.922302 366.3065       32.83506 396.5000       63.96529 355.5039       38.26067 87.20373 7.568699 84.17125 4.662109 3.032478       8.889345 
1 1 1 -3  35 5  o 36.92223 5.565897 70.22958       19.49089 -46.27000      47.10933 94.29053       21.40923 19.46345 9.227071 43.01287 5.189841 -23.54942      10.58647 
1 1 1 -3  35 6  o 29.87659 6.465633 47.18216       18.35834 35.02000       44.91590 49.62144       20.11527 28.63592 11.14571 30.53687 6.893596 -1.900953      13.10529 
1 1 1 -3  35 7  o 73.08837 3.490175 265.3913       24.89688 242.8000       55.48496 271.0866       27.85897 67.42937 8.602197 73.74403 3.873087 -6.314659      9.433907 
1 1 1 -3  35 8  o 87.06509 3.334082 375.9779       28.36111 387.4000       63.03988 373.0794       31.75640 86.08156 7.558333 86.57412 3.756400 -0.4925613     8.440316 
1 1 1 -3  35 9  o 22.03711 6.872319 25.07501       16.42550 -5.303000      43.78918 30.04917       17.71931 22.50227 9.982491 23.87985 7.076679 -1.377583      12.23640 
1 1 1 -3  35 10 o 38.26630 5.035196 74.89590       18.40271 83.85000       46.14194 73.20222       20.06782 38.04490 11.45448 37.63021 5.620237 0.4146881      12.75900 
1 1 1 -3  35 11 o 62.95069 3.583937 197.5187       21.99222 248.5000       52.96075 186.8959       24.17511 68.28771 8.079611 61.06961 4.067424 7.218098       9.045665 
1 1 1 -3  35 12 o 46.01181 4.551225 107.1886       20.22940 77.64000       46.75417 113.9945       22.43849 36.54130 11.62168 47.33558 4.914264 -10.79427      12.61798 
1 1 1 -3  35 13 o 51.41647 3.701460 132.2805       18.50399 164.1000       48.69175 126.9096       20.00481 54.32789 9.502289 50.23035 4.104516 4.097546       10.35087 
1 1 1 -3  35 14 f 91.01846 5.140546 420.8488       45.61168 516.5000       68.97053 346.5000       60.80725 99.21301 7.150090 80.66457 7.798479 18.54844       10.58017 
1 1 1 -3  35 15 o 40.62385 4.338683 83.72078       16.98547 0.000000       0.000000 83.72078       16.98547 ?        ?        40.62385 4.338683 ?              ?        
1 1 1 -3  35 16 o 49.07435 4.194965 121.6599       19.95759 116.3000       46.42981 122.8747       22.10381 44.41364 10.78843 49.14777 4.649993 -4.734135      11.74788 
1 1 1 -3  35 17 o 56.07170 3.286897 156.9017       17.96087 152.6000       47.99604 157.6022       19.36812 51.61121 9.860099 56.10946 3.544627 -4.498253      10.47788 
1 1 1 -3  35 18 o 53.16485 3.285866 141.1834       17.01583 180.9000       47.09925 135.2214       18.24835 57.07808 8.705295 51.91626 3.613542 5.161819       9.425489 
1 1 1 -3  35 19 o 44.17372 7.573905 106.3275       31.57026 100.3000       43.40191 113.1000       46.00599 40.92078 10.71234 43.40908 10.85642 -2.488297      15.25176 
1 1 1 -3  35 20 o 61.06616 5.860606 194.2665       34.60123 194.6000       47.81839 193.9000       50.13050 59.25622 8.486288 58.73281 9.006878 0.5234108      12.37501 
1 1 1 -3  35 21 o 30.29705 9.103444 52.67051       29.16598 55.11000       39.15562 49.63000       43.71362 30.83112 10.66278 29.92998 11.14882 0.9011383      15.42696 
1 1 1 -3  35 22 o 66.18349 5.699489 227.8919       36.56325 172.6000       47.47503 308.5000       57.32232 55.08917 9.123303 75.11228 7.915491 -20.02311      12.07848 
1 1 1 -3  35 23 o 78.93814 5.250090 321.2555       40.33524 267.9000       52.53102 397.9000       62.96027 69.96564 7.803187 85.60751 7.592257 -15.64186      10.88725 
1 1 1 -3  35 24 o 48.18613 7.082827 125.8964       32.41071 113.2000       43.11124 142.4000       49.15185 43.37823 10.30663 48.53212 10.64066 -5.153889      14.81385 
1 1 1 -3  35 25 o 24.47581 9.296882 29.42926       30.72338 -1.735000      40.65404 70.93000       46.91408 21.37103 9.540921 33.69927 11.67062 -12.32824      15.07424 
1 1 1 -3  35 26 o 35.80735 11.29644 81.33000       44.25268 81.33000       44.25268 0.000000       0.000000 35.80735 11.29644 ?        ?        ?              ?        
1 1 1 -3  35 27 o 40.25188 8.614273 93.42498       32.91478 87.80000       45.64225 99.52000       47.51102 36.96806 11.44417 39.24396 11.57710 -2.275906      16.27877 
1 1 1 -3  35 28 o 23.11559 10.14579 8.813000       44.10380 0.000000       0.000000 8.813000       44.10380 ?        ?        23.11559 10.14579 ?              ?        
1 1 1 -3  35 29 f 32.92928 11.59927 69.55000       46.45708 0.000000       0.000000 69.55000       46.45708 ?        ?        32.92928 11.59927 ?              ?        
1 1 1 -3  35 30 o 28.87144 11.28144 48.26000       46.16138 0.000000       0.000000 48.26000       46.16138 ?        ?        28.87144 11.28144 ?              ?        
1 1 1 -3  35 31 o 17.88345 8.400607 -23.51000      37.44046 -23.51000      37.44046 0.000000       0.000000 17.88345 8.400607 ?        ?        ?              ?        
1 1 1 -3  35 32 o 23.74266 9.145408 28.81892       30.00583 31.62000       40.01376 25.22000       45.35583 25.37844 10.30594 25.03876 10.63087 0.3396893      14.80634 
1 1 1 -3  35 33 o 22.56374 9.068411 22.74142       30.62513 30.35000       41.36325 13.51000       45.56142 25.27478 10.39595 23.50738 10.31509 1.767408       14.64503 
1 1 1 -3  35 34 o 21.79711 8.890047 19.27038       29.92816 33.31000       40.30622 2.018000       44.68060 25.65568 10.37074 22.03493 9.906948 3.620743       14.34224 
1 1 1 -3  35 35 o 34.86812 9.065088 74.19081       31.22221 71.20000       41.71593 78.00000       47.07858 32.75334 11.01254 33.69322 11.68987 -0.9398842     16.06017 
1 1 1 -3  35 36 o 28.28467 10.73082 48.99000       40.90207 48.99000       40.90207 0.000000       0.000000 28.28467 10.73082 ?        ?        ?              ?        
1 1 1 -3  35 37 o 30.93840 9.502022 59.69635       31.53993 94.12000       42.99270 19.58000       46.41164 37.53596 10.99671 24.22030 10.52311 13.31566       15.22050 
1 1 1 -3  35 38 o 17.40775 8.380552 -41.51000      42.18124 0.000000       0.000000 -41.51000      42.18124 ?        ?        17.40775 8.380552 ?              ?        
1 1 1 -3  35 39 o 26.42096 9.516321 41.81662       31.43701 18.08000       42.96390 69.17000       46.12111 23.40586 10.14726 31.74134 11.51375 -8.335478      15.34709 
1 1 1 -3  35 40 o 33.06156 9.360002 68.52249       31.65295 71.64000       42.35757 64.58000       47.63355 32.47472 11.09532 30.82997 11.60614 1.644751       16.05642 
1 1 1 -3  35 41 o 22.91243 9.028331 26.85623       29.77625 5.218000       39.35159 55.84000       45.54376 21.02979 9.387826 29.08456 11.25007 -8.054770      14.65249 
1 1 1 -3  35 42 o 16.23251 7.546547 -14.03065      28.95584 18.10000       38.27280 -57.04000      44.28045 22.42471 9.648787 16.62603 8.135754 5.798681       12.62100 
1 1 1 -3  35 43 o 15.31262 7.243982 -21.15706      28.74500 -20.83000      38.08528 -21.59000      43.81803 17.76323 8.383678 18.91673 8.947445 -1.153502      12.26144 
1 1 1 -3  35 44 o 28.93991 9.580776 55.47286       31.59504 97.16000       42.17628 2.162000       47.69525 36.89435 10.91397 21.58421 9.909450 15.31014       14.74151 
1 1 1 -3  36 1  o 48.44825 4.704189 118.9722       22.02796 117.9000       49.54006 119.2365       24.59288 44.92757 11.28239 48.28680 5.289720 -3.359230      12.46088 
1 1 1 -3  36 2  o 47.57360 5.801291 116.7708       26.45648 122.2000       50.18509 114.6813       31.13425 45.74873 11.27949 46.59211 7.046731 -0.8433800     13.29975 
1 1 1 -3  36 3  o 94.61155 3.380079 444.7643       31.25207 523.4000       70.91615 425.8119       34.81507 99.98971 7.295965 92.36081 3.859504 7.628899       8.253901 
1 1 1 -3  36 4  o 26.45404 7.153998 37.65337       18.96650 54.30000       46.07512 34.25710       20.81155 31.85759 11.51466 25.34488 7.705967 6.512712       13.85530 
1 1 1 -3  36 5  o 70.91837 4.079792 252.0444       28.20111 322.6000       58.20739 230.4026       32.23740 78.03496 7.721612 67.43752 4.917533 10.59744       9.154530 
1 1 1 -3  36 6  o 39.18943 5.093254 78.79681       19.07581 103.6000       47.74040 74.08436       20.80920 41.91003 11.35699 37.72006 5.823359 4.189964       12.76294 
1 1 1 -3  36 7  o 77.31245 3.422585 297.5292       25.83641 369.0000       61.21039 282.0355       28.49962 83.51711 7.569740 75.08409 3.891070 8.433022       8.511250 
1 1 1 -3  36 8  o 54.18431 3.995477 147.4676       21.04181 138.6000       52.40844 149.1718       22.97490 48.54772 11.24925 54.36913 4.353479 -5.821404      12.06228 
1 1 1 -3  36 9  o 47.56474 4.133240 114.0872       19.05254 73.26000       50.05977 121.0029       20.60310 35.32251 12.06213 48.91981 4.347955 -13.59730      12.82185 
1 1 1 -3  36 10 o 42.66177 5.134596 93.51038       21.01077 56.50000       47.82824 102.3606       23.38839 32.04187 11.70953 44.51738 5.483128 -12.47551      12.92972 
1 1 1 -3  36 11 o 14.05054 6.166195 -2.445476      16.28588 -33.97000      43.58605 2.669956       17.55757 19.21056 9.036485 15.66393 6.630845 3.546637       11.20831 
1 1 1 -3  36 12 o 40.50422 8.614130 91.68744       33.10051 124.0000       47.73889 61.77000       45.93554 45.77414 10.82579 32.75745 11.53438 13.01670       15.81896 
1 1 1 -3  36 13 f 9.692801 4.702722 -22.45056      13.93703 0.000000       0.000000 -22.45056      13.93703 ?        ?        9.692801 4.702722 ?              ?        
1 1 1 -3  36 14 o 36.60131 7.758382 73.95022       26.93131 0.000000       0.000000 73.95022       26.93131 ?        ?        36.60131 7.758382 ?              ?        
1 1 1 -3  36 15 o 48.75946 3.586635 119.3755       16.99818 157.8000       45.93887 113.2802       18.29680 52.78428 9.227135 47.35173 3.984529 5.432545       10.05070 
1 1 1 -3  36 16 o 48.29728 4.328788 118.5360       20.24742 96.23000       44.83432 124.2508       22.69336 39.70115 11.10473 49.26794 4.765152 -9.566799      12.08394 
1 1 1 -3  36 17 o 44.26457 3.586755 98.57300       15.40745 62.82000       43.11344 103.8077       16.49685 32.51147 11.19112 45.37618 3.747599 -12.86472      11.80194 
1 1 1 -3  36 18 o 24.21304 5.368838 31.19249       12.39053 51.99000       38.85888 28.83866       13.07291 30.10311 10.60800 23.17373 5.782322 6.929384       12.08159 
1 1 1 -3  36 19 o 56.66362 6.051315 168.8177       33.04407 138.1000       44.36284 207.1000       49.52488 48.72208 9.643693 60.87003 8.547321 -12.14796      12.88633 
1 1 1 -3  36 20 o 39.59842 8.214158 88.39126       30.79325 53.73000       40.77475 134.4000       46.97744 30.39684 10.85105 47.33021 10.42258 -16.93337      15.04578 
1 1 1 -3  36 21 o 25.34469 9.226090 33.70973       29.65023 -5.994000      38.28927 93.18000       46.86098 20.34741 9.157699 38.34902 11.54279 -18.00161      14.73430 
1 1 1 -3  36 22 o 29.80460 9.379906 51.79626       30.52831 49.25000       39.57081 55.54000       47.98186 29.33221 10.66123 30.86230 11.64190 -1.530085      15.78593 
1 1 1 -3  36 23 f 42.87323 8.058367 103.4239       32.57617 61.28000       42.52222 163.3000       50.68450 31.72462 11.10324 52.16494 10.29206 -20.44032      15.13964 
1 1 1 -3  36 24 o 49.30132 9.894869 145.1000       46.08875 145.1000       46.08875 0.000000       0.000000 49.30132 9.894869 ?        ?        ?              ?        
1 1 1 -3  36 25 o 58.02848 6.482790 180.6424       36.19381 234.9000       50.79891 124.7000       51.58162 64.63258 8.215009 43.72350 11.78654 20.90908       14.36694 
1 1 1 -3  36 26 o 35.34677 9.258533 74.77178       32.40855 80.97000       45.71617 68.51000       45.94995 35.24961 11.51738 32.73442 11.53534 2.515186       16.30074 
1 1 1 -3  36 27 o 34.42819 11.66551 77.89000       46.80998 0.000000       0.000000 77.89000       46.80998 ?        ?        34.42819 11.66551 ?              ?        
1 1 1 -3  36 28 o 28.91853 9.622808 50.37659       31.86266 40.41000       44.37889 60.98000       45.77472 27.38852 10.94747 31.00441 11.43451 -3.615896      15.83019 
1 1 1 -3  36 29 o 27.03158 9.544452 43.04249       31.46946 39.60000       44.14336 46.60000       44.87474 27.06815 10.88440 28.26163 11.09941 -1.193480      15.54564 
1 1 1 -3  36 30 o 20.16357 8.582399 10.41221       29.68811 8.641000       39.73662 12.65000       44.66481 21.91835 9.625022 23.26353 10.21043 -1.345179      14.03189 
1 1 1 -3  36 31 o 32.28708 9.583632 64.92286       32.47621 58.83000       45.29294 71.37000       46.59117 30.24800 11.33208 32.53635 11.60091 -2.288345      16.21719 
1 1 1 -3  36 32 o 21.24267 9.711978 -5.975000      45.17649 0.000000       0.000000 -5.975000      45.17649 ?        ?        21.24267 9.711978 ?              ?        
1 1 1 -3  36 33 o 14.73906 7.252717 -60.64000      36.76065 -60.64000      36.76065 0.000000       0.000000 14.73906 7.252717 ?        ?        ?              ?        
1 1 1 -3  36 34 o 34.07548 9.303262 71.90804       31.89495 97.24000       43.12186 41.31000       47.39253 38.19571 10.96163 27.28018 11.16396 10.91553       15.64581 
1 1 1 -3  36 35 o 25.84353 10.43248 35.60000       40.72574 35.60000       40.72574 0.000000       0.000000 25.84353 10.43248 ?        ?        ?              ?        
1 1 1 -3  36 36 o 35.42223 9.213173 77.50710       32.24123 79.13000       44.30378 75.68000       47.00828 33.97638 11.34798 33.04037 11.66531 0.9360085      16.27440 
1 1 1 -3  36 37 o 31.12671 11.50772 66.08000       46.41178 0.000000       0.000000 66.08000       46.41178 ?        ?        31.12671 11.50772 ?              ?        
1 1 1 -3  36 38 o 41.00953 8.444364 100.2887       32.76710 123.4000       44.65189 73.32000       48.23456 43.35353 10.60997 32.25514 11.76355 11.09839       15.84148 
1 1 1 -3  36 39 o 19.77407 8.496103 9.790079       29.59403 -23.24000      38.90979 55.12000       45.58233 17.96642 8.477866 29.00862 11.24553 -11.04219      14.08318 
1 1 1 -3  36 40 o 22.63005 9.085539 25.33614       30.70684 46.63000       41.06252 -1.679000      46.25108 27.27571 10.64529 21.37651 9.793319 5.899202       14.46483 
1 1 1 -3  36 41 o 23.65025 9.166781 31.36949       30.28424 28.65000       39.93491 35.05000       46.45826 24.03422 10.07714 25.50349 10.79070 -1.469275      14.76441 
1 1 1 -3  36 42 o 16.53319 7.633208 -10.15598      28.86436 -24.86000      38.07564 9.712000       44.25946 17.35607 8.247474 21.94746 9.864505 -4.591393      12.85804 
1 1 1 -3  37 1  o 19.05000 7.285215 14.63097       18.94732 73.85000       47.26844 3.294319       20.68155 35.18465 11.72084 16.91661 7.180384 18.26804       13.74540 
1 1 1 -3  37 2  o 50.76606 4.376399 130.5734       21.53477 183.3000       53.40945 120.3375       23.53240 56.65086 9.997087 48.45565 5.034848 8.195213       11.19337 
1 1 1 -3  37 3  o 17.60281 7.539462 2.575073       23.16887 6.106000       46.04965 1.378318       26.80926 23.91587 10.43509 18.53644 8.025982 5.379433       13.16463 
1 1 1 -3  37 4  o 28.50962 6.855950 44.13240       18.89660 118.2000       48.60576 30.94418       20.51005 44.35078 11.19668 24.09278 7.701239 20.25801       13.58951 
1 1 1 -3  37 5  o 36.63154 5.546778 70.05787       19.26678 168.0000       49.72197 52.75380       20.89959 54.30291 9.710966 31.13661 7.025019 23.16629       11.98556 
1 1 1 -3  37 6  o 44.90516 5.186035 103.9733       22.37657 87.35000       48.90088 108.3758       25.16587 37.67816 11.87334 45.59183 5.768101 -7.913670      13.20028 
1 1 1 -3  37 7  o 46.62509 4.437977 110.5978       20.01003 94.47000       49.38236 113.7660       21.88741 39.02699 11.87116 47.14001 4.810864 -8.113022      12.80894 
1 1 1 -3  37 8  o 29.36154 6.367886 46.42809       17.77331 77.51000       46.83066 41.19775       19.21061 35.63252 11.65781 27.41788 7.101902 8.214634       13.65070 
1 1 1 -3  37 9  o 27.92176 6.950799 42.63929       18.92246 91.01000       45.60724 32.58123       20.79696 38.52773 11.33670 24.54047 7.744390 13.98726       13.72940 
1 1 1 -3  37 10 o 19.96489 8.481111 6.944041       28.89305 -3.669000      42.45548 16.10000       39.43354 21.78965 9.737374 23.79106 9.996864 -2.001408      13.95542 
1 1 1 -3  37 11 o 28.09294 6.254159 42.53724       16.75556 29.92000       44.09175 44.66686       18.11451 26.66730 10.82240 28.68286 6.590635 -2.015554      12.67126 
1 1 1 -3  37 12 o 13.34195 5.932547 -4.021068      15.55626 0.000000       0.000000 -4.021068      15.55626 ?        ?        13.34195 5.932547 ?              ?        
1 1 1 -3  37 13 o 58.35766 3.530293 170.8391       20.07146 184.7000       50.18937 168.2002       21.89887 56.87584 9.339106 57.75079 3.896796 -0.8749504     10.11948 
1 1 1 -3  37 14 o 38.08011 4.396344 74.24341       16.08636 93.79000       43.77415 71.19160       17.29661 39.03684 10.99190 37.09246 4.882408 1.944378       12.02746 
1 1 1 -3  37 15 o 41.05839 5.850984 88.96999       22.85001 44.77000       44.00441 105.2879       26.73728 28.90126 11.08988 44.46697 6.320724 -15.56571      12.76468 
1 1 1 -3  37 16 o 61.93143 3.838569 193.4290       23.15511 210.8000       50.54650 188.8155       26.04908 61.20555 8.680327 60.90586 4.399095 0.2996902      9.731399 
1 1 1 -3  37 17 o 55.84945 3.335648 156.3421       18.15190 151.5000       47.85354 157.1559       19.61806 50.58669 10.01882 55.88495 3.605611 -5.298260      10.64787 
1 1 1 -3  37 18 o 19.40358 5.856252 19.93197       12.05043 41.60000       39.80364 17.74557       12.64379 27.85311 10.58140 18.56959 6.056324 9.283516       12.19201 
1 1 1 -3  37 19 o 31.00404 9.186184 56.37123       29.86007 51.28000       40.18220 62.65000       44.62312 29.71002 10.75111 32.03521 11.36035 -2.325184      15.64110 
1 1 1 -3  37 20 o 46.54813 7.310610 119.0204       32.21246 115.0000       43.11533 124.1000       48.46268 43.50052 10.28829 44.46118 11.15553 -0.9606628     15.17546 
1 1 1 -3  37 21 o 37.48529 8.590501 81.45313       30.84358 48.33000       40.61146 126.6000       47.41292 28.94152 10.75261 45.01519 10.88183 -16.07367      15.29814 
1 1 1 -3  37 22 o 28.44626 9.241994 47.31882       29.45844 27.12000       39.45264 72.77000       44.28606 25.00256 10.20343 33.77066 11.34665 -8.768099      15.25964 
1 1 1 -3  37 23 o 22.68195 9.673999 14.44000       37.85564 14.44000       37.85564 0.000000       0.000000 22.68195 9.673999 ?        ?        ?              ?        
1 1 1 -3  37 24 o 28.12986 9.267116 46.51113       29.57186 37.44000       40.11331 57.31000       43.76700 26.70772 10.49257 30.53444 11.19449 -3.826715      15.34310 
1 1 1 -3  37 25 o 24.28191 10.41988 19.17000       44.40897 0.000000       0.000000 19.17000       44.40897 ?        ?        24.28191 10.41988 ?              ?        
1 1 1 -3  37 26 f 24.79538 9.362124 33.01538       31.04627 50.90000       42.92663 13.40000       44.95574 28.99943 10.99522 23.50507 10.28196 5.494360       15.05368 
1 1 1 -3  37 27 o 24.83853 9.306208 33.78294       30.54739 69.52000       41.95819 -6.524000      44.56021 32.53743 11.04422 21.09735 9.645528 11.44008       14.66325 
1 1 1 -3  37 28 o 32.90727 9.430194 67.09796       31.93682 101.3000       43.92239 28.73000       46.52049 39.11910 11.00889 25.53038 10.79980 13.58872       15.42178 
1 1 1 -3  37 29 f 45.11422 7.879289 116.9122       33.52870 134.1000       46.21351 97.81000       48.71914 45.79300 10.53020 37.46197 11.85724 8.331028       15.85810 
1 1 1 -3  37 30 o 28.78395 9.415635 50.71397       30.54945 18.94000       40.29585 93.66000       46.84747 23.34431 9.969412 36.92323 11.61948 -13.57892      15.31018 
1 1 1 -3  37 31 o 19.04786 8.270151 5.756207       28.62528 -6.829000      37.68129 22.93000       44.01784 19.48619 8.894023 24.30264 10.40019 -4.816454      13.68457 
1 1 1 -3  37 32 o 38.44473 8.656617 88.57037       31.78893 104.5000       42.49530 68.33000       47.90129 39.91145 10.67152 31.66352 11.69365 8.247929       15.83107 
1 1 1 -3  37 33 o 24.03987 9.288703 30.82940       31.02290 47.54000       41.21393 8.983000       47.12356 27.88046 10.72368 22.96636 10.26129 4.914093       14.84222 
1 1 1 -3  37 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  37 35 o 28.55233 10.98745 51.57000       43.28103 51.57000       43.28103 0.000000       0.000000 28.55233 10.98745 ?        ?        ?              ?        
1 1 1 -3  37 36 o 30.30579 11.56767 62.53000       47.71075 0.000000       0.000000 62.53000       47.71075 ?        ?        30.30579 11.56767 ?              ?        
1 1 1 -3  37 37 o 20.03646 8.588449 10.67989       30.10728 10.87000       39.95044 10.43000       45.80339 21.88279 9.628709 22.74956 10.14369 -0.8667698     13.98594 
1 1 1 -3  37 38 o 30.77016 9.482046 60.81977       31.37530 66.07000       41.40567 53.74000       48.08175 30.96515 10.94671 28.56796 11.40302 2.397196       15.80693 
1 1 1 -3  37 39 o 28.82508 9.497684 53.67673       31.06123 55.26000       41.19253 51.59000       47.29053 28.64148 10.79064 27.99295 11.26242 0.6485291      15.59744 
1 1 1 -3  37 40 o 49.23954 7.309287 140.4000       34.16108 164.0000       45.93645 111.2000       51.09663 50.57434 9.631062 37.89422 12.15988 12.68013       15.51193 
1 1 1 -3  37 41 o 18.61193 8.223942 5.002682       29.43337 22.23000       39.06448 -17.62000      44.76569 22.67704 9.752601 19.24518 9.084978 3.431862       13.32854 
1 1 1 -3  38 1  o 54.05356 4.098444 147.8553       21.52290 149.8000       48.01477 147.3663       24.07738 50.59153 10.05031 53.72592 4.623382 -3.134396      11.06275 
1 1 1 -3  38 2  o 21.97668 7.224369 25.36723       17.97534 -3.914000      41.71264 32.04490       19.91984 21.52258 9.632477 24.27743 7.567658 -2.754858      12.24966 
1 1 1 -3  38 3  o 29.36530 6.656342 46.95635       18.68942 49.93000       44.70079 46.32642       20.57398 30.02339 11.25572 28.94621 7.271759 1.077179       13.40037 
1 1 1 -3  38 4  o 32.11573 7.598249 57.38362       23.51015 -11.94000      44.57991 84.09206       27.67087 21.27505 9.696459 39.10040 7.502747 -17.82535      12.26020 
1 1 1 -3  38 5  o 34.55290 5.708790 63.05360       18.63422 49.75000       43.64438 66.01936       20.60686 29.90026 11.13955 35.14761 6.217180 -5.247343      12.75707 
1 1 1 -3  38 6  o 44.62864 5.179359 103.1948       22.20568 96.72000       45.43493 105.2267       25.45263 39.51131 11.22358 44.67969 5.969113 -5.168377      12.71216 
1 1 1 -3  38 7  o 26.48894 7.406792 38.89210       19.94938 54.08000       43.45430 34.83624       22.45565 30.63573 11.16658 25.19243 8.058817 5.443302       13.77088 
1 1 1 -3  38 8  o 31.03730 11.26295 56.22000       44.13974 56.22000       44.13974 0.000000       0.000000 31.03730 11.26295 ?        ?        ?              ?        
1 1 1 -3  38 9  o 34.75331 5.441145 63.51421       17.90257 82.98000       45.31129 59.91338       19.48818 36.38133 11.42440 33.41005 6.186998 2.971275       12.99215 
1 1 1 -3  38 10 o 42.74131 5.084949 94.73874       20.85702 0.000000       0.000000 94.73874       20.85702 ?        ?        42.74131 5.084949 ?              ?        
1 1 1 -3  38 11 o 42.53640 4.955713 93.61977       20.24751 0.000000       0.000000 93.61977       20.24751 ?        ?        42.53640 4.955713 ?              ?        
1 1 1 -3  38 12 o 42.62953 4.371697 92.96624       17.98361 96.80000       45.55149 92.25835       19.57362 39.23047 11.26860 42.27379 4.816147 -3.043320      12.25466 
1 1 1 -3  38 13 o 40.62621 4.365034 84.55806       17.08607 140.9000       46.58602 75.80125       18.36592 48.55633 10.12993 38.16059 5.040000 10.39573       11.31446 
1 1 1 -3  38 14 f 14.79361 5.952333 6.414895       13.21043 4.648000       41.24274 6.616901       13.94516 22.24614 9.786088 15.12697 6.105319 7.119170       11.53440 
1 1 1 -3  38 15 o 16.72740 7.139377 3.435550       20.64351 24.05000       40.43549 -3.831489      24.00798 24.81839 10.25055 16.55778 7.365782 8.260614       12.62254 
1 1 1 -3  38 16 o 28.91027 6.110214 45.29747       16.74881 27.77000       41.43355 48.72095       18.31160 25.49555 10.43664 29.86001 6.453661 -4.364468      12.27083 
1 1 1 -3  38 17 o 60.86081 3.323882 185.8498       19.72595 131.7000       47.89541 196.9112       21.64714 46.04317 10.81286 62.54342 3.550588 -16.50024      11.38089 
1 1 1 -3  38 18 o 73.61683 3.107981 271.0205       22.34516 222.1000       52.88164 281.6538       24.65430 62.05048 8.966407 74.90931 3.371047 -12.85883      9.579165 
1 1 1 -3  38 19 o 28.79438 9.483428 48.96712       30.96927 32.19000       41.95615 69.05000       45.90394 26.08204 10.56721 32.86784 11.53385 -6.785801      15.64275 
1 1 1 -3  38 20 o 46.47905 7.618372 120.9455       33.46003 138.4000       46.20561 101.7000       48.51831 47.49178 10.24121 39.12429 11.73814 8.367489       15.57775 
1 1 1 -3  38 21 o 26.08972 10.51867 33.41000       41.34441 33.41000       41.34441 0.000000       0.000000 26.08972 10.51867 ?        ?        ?              ?        
1 1 1 -3  38 22 f 55.15999 6.659263 165.4521       35.22799 163.9000       47.78507 167.3000       52.13899 52.15702 9.717387 51.72961 10.65212 0.4274063      14.41857 
1 1 1 -3  38 23 o 14.51593 6.954183 -30.91341      28.24652 -45.85000      38.61874 -13.73000      41.42160 16.33157 7.900904 19.78510 9.137957 -3.453527      12.08001 
1 1 1 -3  38 24 o 61.84073 9.057622 226.5000       53.20197 0.000000       0.000000 226.5000       53.20197 ?        ?        61.84073 9.057622 ?              ?        
1 1 1 -3  38 25 o 36.39444 8.757501 79.42043       30.81766 53.69000       41.28474 111.8000       46.31285 29.28328 10.84852 40.97472 11.22011 -11.69144      15.60709 
1 1 1 -3  38 26 o 33.42444 9.457563 69.62326       32.32524 63.27000       44.04558 77.04000       47.58941 30.95427 11.24831 33.39154 11.74162 -2.437273      16.26008 
1 1 1 -3  38 27 o 41.65663 8.386452 102.1639       33.01093 95.30000       45.21334 110.0000       48.30931 37.40490 11.35518 39.97853 11.64130 -2.573624      16.26223 
1 1 1 -3  38 28 o 23.80776 9.156601 29.77087       30.04727 -13.25000      39.65209 87.79000       46.04814 19.27627 8.916253 35.70224 11.55145 -16.42597      14.59231 
1 1 1 -3  38 29 o 30.45237 9.322468 57.76118       30.39025 90.22000       39.96889 13.28000       46.78902 37.04209 10.52838 23.40379 10.35379 13.63830       14.76644 
1 1 1 -3  38 30 o 30.75526 9.277823 58.88793       30.25039 19.88000       39.28608 115.7000       47.41137 23.16390 9.866532 41.17512 11.38308 -18.01122      15.06396 
1 1 1 -3  38 31 o 15.29456 7.232931 -22.83797      28.61070 -35.19000      37.84712 -6.366000      43.70554 16.76390 8.036057 20.69873 9.496634 -3.934824      12.44043 
1 1 1 -3  38 32 o 26.95402 10.71850 42.53000       42.32582 42.53000       42.32582 0.000000       0.000000 26.95402 10.71850 ?        ?        ?              ?        
1 1 1 -3  38 33 o 37.51854 9.054440 86.63741       32.86831 91.63000       44.68171 80.75000       48.52091 36.33226 11.33534 33.63076 11.85345 2.701500       16.40104 
1 1 1 -3  38 34 o 19.34495 9.110936 -21.47000      44.55094 0.000000       0.000000 -21.47000      44.55094 ?        ?        19.34495 9.110936 ?              ?        
1 1 1 -3  38 35 o 37.91464 8.915902 88.36221       32.52918 94.61000       43.45636 80.40000       49.05768 37.00512 11.11046 33.30480 11.90079 3.700314       16.28101 
1 1 1 -3  38 36 o 37.64972 11.98308 104.9000       49.69964 0.000000       0.000000 104.9000       49.69964 ?        ?        37.64972 11.98308 ?              ?        
1 1 1 -3  38 37 o 22.96721 9.857533 21.38000       39.75855 21.38000       39.75855 0.000000       0.000000 22.96721 9.857533 ?        ?        ?              ?        
1 1 1 -3  38 38 o 17.39222 7.903146 -4.256448      29.33855 -4.927000      38.22397 -3.295000      45.77016 19.30570 8.866238 20.83069 9.615457 -1.524990      13.07926 
1 1 1 -3  38 39 o 38.92513 8.904062 95.69197       33.18731 127.3000       44.64902 56.67000       49.60985 42.91702 10.67324 28.29851 11.48139 14.61851       15.67611 
1 1 1 -3  39 1  o 65.43217 3.682276 215.5314       23.48864 170.9000       48.73126 229.0386       26.80833 54.18530 9.536062 67.23983 4.092594 -13.05453      10.37718 
1 1 1 -3  39 2  o 52.50363 4.222494 140.2674       21.51740 159.6000       48.15113 135.4434       24.05259 52.08837 9.803742 51.27892 4.849616 0.8094482      10.93765 
1 1 1 -3  39 3  o 62.97028 3.777797 199.9794       23.17816 240.9000       50.90627 189.2778       26.03314 65.90323 8.058951 60.94003 4.393830 4.963196       9.178913 
1 1 1 -3  39 4  o 20.98640 7.249911 22.58056       18.09963 -19.53000      41.01641 32.76347       20.16963 19.49097 9.033968 24.38441 7.617096 -4.893440      11.81663 
1 1 1 -3  39 5  o 27.76038 8.058454 43.71977       23.18126 42.75000       41.24385 44.16759       28.02714 28.11612 10.74945 27.78465 9.013743 0.3314724      14.02848 
1 1 1 -3  39 6  o 40.61316 11.28801 104.5000       46.48531 104.5000       46.48531 0.000000       0.000000 40.61316 11.28801 ?        ?        ?              ?        
1 1 1 -3  39 7  f 51.33019 5.495366 137.7511       27.18140 197.1000       48.63951 110.8000       32.77712 58.93438 8.692330 44.58842 7.793616 14.34596       11.67463 
1 1 1 -3  39 8  o 51.18192 4.617017 134.4627       22.88203 179.2000       48.23614 121.4721       25.99277 55.73490 9.159682 48.09243 5.627975 7.642475       10.75053 
1 1 1 -3  39 9  o 61.52391 4.036036 191.9124       24.17132 0.000000       0.000000 191.9124       24.17132 ?        ?        61.52391 4.036036 ?              ?        
1 1 1 -3  39 10 o 31.34325 5.905165 52.74680       17.45242 100.8000       44.29296 43.91523       18.98858 40.04868 10.97519 28.12858 6.940026 11.92011       12.98533 
1 1 1 -3  39 11 o 30.03294 5.953138 48.63073       16.88186 108.8000       43.79184 38.12802       18.29602 41.87170 10.65892 26.17723 7.003504 15.69446       12.75389 
1 1 1 -3  39 12 o 43.04262 4.298914 94.90021       17.86986 122.9000       46.13582 89.95807       19.38288 44.48261 10.72244 41.64993 4.844743 2.832680       11.76615 
1 1 1 -3  39 13 o 17.44347 6.470218 13.68013       14.69367 13.99000       40.75593 13.63384       15.75310 23.19569 9.968383 17.68979 6.671161 5.505901       11.99471 
1 1 1 -3  39 14 o 30.92607 5.188397 50.57532       15.15025 74.02000       42.49889 47.16217       16.21560 34.03683 11.10366 29.57752 5.808365 4.459311       12.53109 
1 1 1 -3  39 15 o 17.80126 7.325974 9.089355       20.55546 33.55000       39.52795 0.2277682E-01  24.06535 25.99877 10.35178 17.10924 7.502458 8.889530       12.78461 
1 1 1 -3  39 16 o 39.39494 4.254023 79.76229       16.14404 76.92000       42.82845 80.23303       17.42974 34.49074 11.13868 39.35125 4.612520 -4.860512      12.05593 
1 1 1 -3  39 17 o 48.99019 4.366917 123.2872       20.72137 129.0000       44.91177 121.7422       23.35585 45.63873 10.29900 48.32602 5.010116 -2.687290      11.45298 
1 1 1 -3  39 18 o 58.75038 3.250846 173.4202       18.62160 187.1000       49.03443 171.1148       20.12966 56.36347 9.205304 58.21320 3.549588 -1.849735      9.865961 
1 1 1 -3  39 19 o 25.48862 9.334615 36.27762       30.41938 12.68000       41.27966 64.32000       44.99967 22.83216 9.922103 31.54046 11.38223 -8.708296      15.09978 
1 1 1 -3  39 20 o 35.48717 11.27533 84.04000       44.01799 84.04000       44.01799 0.000000       0.000000 35.48717 11.27533 ?        ?        ?              ?        
1 1 1 -3  39 21 o 20.93690 8.712026 15.31470       29.51301 -8.715000      40.31951 43.05000       43.31691 19.94045 9.138541 27.41694 10.86233 -7.476494      14.19518 
1 1 1 -3  39 22 o 24.37452 10.47543 21.81000       45.01113 0.000000       0.000000 21.81000       45.01113 ?        ?        24.37452 10.47543 ?              ?        
1 1 1 -3  39 23 f 41.85769 8.348309 103.0899       33.00415 83.32000       44.91209 126.3000       48.66307 34.85174 11.41735 43.32876 11.34321 -8.477020      16.09423 
1 1 1 -3  39 24 o 20.04840 8.548210 10.66041       29.54193 10.76000       39.93196 10.54000       43.90766 22.05326 9.667511 22.68397 10.03289 -0.6307030     13.93268 
1 1 1 -3  39 25 o 40.21346 8.357554 95.41642       31.82195 64.06000       42.94432 133.6000       47.38936 31.08655 11.13157 45.21149 10.84745 -14.12494      15.54281 
1 1 1 -3  39 26 o 35.25203 8.833525 75.63693       30.41574 89.83000       41.29123 58.80000       44.97292 36.69841 10.78388 29.93872 11.27589 6.759686       15.60249 
1 1 1 -3  39 27 o 20.57614 8.590616 14.86128       28.83665 32.60000       38.11093 -8.896000      44.10489 24.98947 10.09047 20.52080 9.460404 4.468668       13.83174 
1 1 1 -3  39 28 f 21.42960 8.779085 19.10745       29.34633 45.44000       38.57533 -17.07000      45.21496 27.30327 10.40631 19.95047 9.326456 7.352798       13.97405 
1 1 1 -3  39 29 o 22.85543 8.998430 26.27274       29.55774 7.233000       39.05166 51.81000       45.22683 21.31926 9.443954 28.56939 11.16571 -7.250130      14.62400 
1 1 1 -3  39 30 o 24.61519 9.366421 34.04072       31.21885 6.229000       42.02980 68.27000       46.62752 21.70024 9.693551 31.39973 11.54738 -9.699482      15.07670 
1 1 1 -3  39 31 o 42.86213 11.10298 124.4000       46.95201 124.4000       46.95201 0.000000       0.000000 42.86213 11.10298 ?        ?        ?              ?        
1 1 1 -3  39 32 o 18.46545 8.222332 0.8718420      29.99007 -5.919000      40.06749 9.523000       45.22383 19.86592 9.106454 22.46896 10.04476 -2.603037      13.55820 
1 1 1 -3  39 33 o 21.03253 9.661860 -4.328000      45.43339 0.000000       0.000000 -4.328000      45.43339 ?        ?        21.03253 9.661860 ?              ?        
1 1 1 -3  39 34 o 25.37445 9.401857 38.75367       31.01030 -4.063000      40.42437 99.98000       48.33993 20.02397 9.166924 36.82677 11.82829 -16.80280      14.96466 
1 1 1 -3  39 35 o 24.70981 9.269574 36.34028       30.32728 14.43000       39.79889 66.68000       46.83308 22.00163 9.647947 30.42884 11.49652 -8.427210      15.00843 
1 1 1 -3  39 36 f 17.73515 7.998675 -1.676438      29.38519 -18.11000      38.62320 20.91000       45.27999 18.06458 8.500244 23.35507 10.26459 -5.290487      13.32726 
1 1 1 -3  39 37 o 39.64909 8.613900 98.08419       32.47216 98.53000       43.11725 97.50000       49.35794 36.75266 11.07430 35.17789 11.97801 1.574764       16.31297 
1 1 1 -3  40 1  o 63.65623 3.844875 205.0315       23.84514 241.6000       52.44027 195.4998       26.77306 65.37698 8.387712 61.80922 4.455149 3.567764       9.497478 
1 1 1 -3  40 2  o 23.81856 7.390173 31.39558       19.02076 -48.49000      41.99505 52.01324       21.33456 17.18535 8.295588 30.44778 7.260934 -13.26243      11.02442 
1 1 1 -3  40 3  o 38.39692 6.759414 80.64806       24.47713 110.5000       43.70601 67.00655       29.54514 42.12414 10.60783 33.73974 8.841260 8.384396       13.80920 
1 1 1 -3  40 4  o 16.14246 6.966187 1.780547       20.06356 32.80000       41.20201 -7.861307      22.97109 26.12689 10.51217 15.51711 7.028060 10.60978       12.64513 
1 1 1 -3  40 5  f 20.05996 7.516158 18.77668       19.92647 59.04000       44.08147 8.436466       22.33912 30.96536 11.25281 18.18080 7.573542 12.78456       13.56408 
1 1 1 -3  40 6  o 39.49634 6.391608 84.50990       23.86636 52.55000       43.82178 97.98724       28.45702 29.69845 11.14229 42.09781 7.162209 -12.39935      13.24568 
1 1 1 -3  40 7  o 21.45896 6.992048 24.78059       16.85466 21.27000       41.71732 25.46542       18.42542 24.31503 10.25337 21.80785 7.318774 2.507179       12.59746 
1 1 1 -3  40 8  o 25.79958 7.824214 37.79175       21.47386 0.000000       0.000000 37.79175       21.47386 ?        ?        25.79958 7.824214 ?              ?        
1 1 1 -3  40 9  o 38.56774 4.879998 77.55080       18.01082 114.4000       44.77353 70.43681       19.67271 42.58679 10.74340 36.32580 5.721861 6.260990       12.17212 
1 1 1 -3  40 10 o 13.66378 6.031635 -2.308269      15.79560 -7.683000      40.39845 -1.338311      17.16180 20.32818 9.251569 14.42028 6.329110 5.907900       11.20933 
1 1 1 -3  40 11 o 18.87398 6.760776 17.53081       15.84257 -32.86000      40.77255 26.49163       17.19357 17.97128 8.538309 22.02167 7.052402 -4.050390      11.07425 
1 1 1 -3  40 12 o 17.37184 6.507035 13.47261       14.93269 37.20000       41.13393 9.870978       16.02600 26.59833 10.56993 16.61348 6.599026 9.984852       12.46076 
1 1 1 -3  40 13 o 18.94855 6.584310 18.24955       14.93839 17.05000       40.62434 18.43711       16.06388 23.38663 9.999308 19.19001 6.815030 4.196613       12.10086 
1 1 1 -3  40 14 o 50.19590 3.700847 127.8068       18.05556 157.1000       45.73105 122.3973       19.65214 51.23357 9.467733 48.89979 4.144797 2.333778       10.33525 
1 1 1 -3  40 15 o 18.61031 7.422598 13.29465       20.35708 7.191000       39.96210 15.43358       23.65660 21.83588 9.618259 19.84945 7.972731 1.986431       12.49301 
1 1 1 -3  40 16 o 27.66979 5.692242 41.59865       14.90211 90.00000       42.09078 34.66208       15.93421 37.02903 10.88960 24.92101 6.474462 12.10802       12.66894 
1 1 1 -3  40 17 o 54.47723 4.292433 152.6967       22.70410 110.7000       46.22982 166.0457       26.06385 40.70908 11.23497 56.51373 4.755793 -15.80465      12.20009 
1 1 1 -3  40 18 o 21.60611 6.247583 25.84436       13.95825 49.81000       40.89198 22.68371       14.85018 28.41072 10.74068 20.40884 6.556024 8.001873       12.58347 
1 1 1 -3  40 19 o 20.25391 8.542154 12.41897       28.96181 41.32000       38.33546 -26.01000      44.20520 26.71835 10.32506 19.09395 9.017922 7.624403       13.70875 
1 1 1 -3  40 20 o 22.20244 8.933466 22.44754       29.75702 15.60000       40.09935 30.84000       44.39302 22.69892 9.822031 25.39413 10.63450 -2.695210      14.47636 
1 1 1 -3  40 21 o 54.68834 10.24842 188.8000       52.84499 0.000000       0.000000 188.8000       52.84499 ?        ?        54.68834 10.24842 ?              ?        
1 1 1 -3  40 22 o 29.23331 9.471517 53.19733       30.95199 83.75000       41.07428 13.05000       47.08403 35.37148 10.83981 23.42952 10.37473 11.94196       15.00455 
1 1 1 -3  40 23 f 42.96347 7.835324 106.7776       31.73684 140.4000       42.75110 65.50000       47.36856 47.78641 9.474619 31.05593 11.59816 16.73048       14.97617 
1 1 1 -3  40 24 o 41.93693 7.757062 101.8992       30.66945 120.1000       41.22505 79.34000       45.89632 43.53793 9.898423 33.60247 11.54741 9.935459       15.20926 
1 1 1 -3  40 25 o 21.86233 8.708142 22.45237       27.98264 27.80000       37.11633 15.41000       42.59352 24.02556 9.861257 22.94360 10.02287 1.081959       14.06067 
1 1 1 -3  40 26 o 46.41781 7.308583 122.5634       32.10976 162.5000       44.25568 78.17000       46.65976 51.73986 9.068937 33.20590 11.63023 18.53397       14.74815 
1 1 1 -3  40 27 o 21.63489 8.773314 20.80591       28.95010 21.52000       38.90585 19.92000       43.33451 23.20085 9.848086 23.56768 10.20424 -0.3668289     14.18137 
1 1 1 -3  40 28 o 34.41658 9.275454 74.43645       31.94887 72.53000       43.45222 76.68000       47.13750 32.34162 11.23009 32.82703 11.67251 -0.4854088     16.19761 
1 1 1 -3  40 29 o 29.41580 11.02453 57.88000       42.87636 57.88000       42.87636 0.000000       0.000000 29.41580 11.02453 ?        ?        ?              ?        
1 1 1 -3  40 30 o 33.03052 9.479033 69.98002       32.24637 82.73000       43.06610 53.71000       48.64909 34.28239 11.17709 28.59101 11.45057 5.691383       16.00134 
1 1 1 -3  40 31 o 23.66540 10.36191 19.67000       45.75332 0.000000       0.000000 19.67000       45.75332 ?        ?        23.66540 10.36191 ?              ?        
1 1 1 -3  40 32 o 22.93962 9.128709 27.50535       30.72272 -22.32000      40.13516 98.02000       47.74628 18.15331 8.579411 36.39837 11.76133 -18.24506      14.55799 
1 1 1 -3  40 33 o 21.02949 8.750524 18.45836       29.77429 14.15000       39.17629 24.35000       45.81268 21.81904 9.569904 23.95898 10.43175 -2.139940      14.15643 
1 1 1 -3  40 34 o 21.54279 8.888175 21.48164       30.35793 57.77000       40.43281 -25.41000      45.96190 28.78003 10.72193 18.90787 9.006545 9.872166       14.00277 
1 1 1 -3  40 35 o 20.03458 8.570688 13.97783       29.87449 12.49000       39.65714 15.93000       45.42578 21.36444 9.487556 22.52509 10.06870 -1.160645      13.83446 
1 1 1 -3  40 36 o 16.89016 7.771511 -7.185801      29.55970 -3.900000      39.72993 -11.26000      44.24032 19.42026 8.962311 19.52009 9.157431 -0.9982491E-01 12.81333 
1 1 1 -3  41 1  f 17.19447 7.743350 -5.505464      27.42254 -15.52000      38.59671 4.703000       38.96862 18.98264 8.786174 21.38362 9.455050 -2.400978      12.90716 
1 1 1 -3  41 2  o 45.75154 4.683860 108.5623       20.67993 82.66000       41.75900 116.9788       23.80377 35.63953 10.93126 47.18200 5.242634 -11.54247      12.12343 
1 1 1 -3  41 3  o 50.83352 4.288117 132.6390       21.13770 119.4000       42.92237 136.8777       24.28692 43.79445 10.20305 51.28909 4.897111 -7.494640      11.31741 
1 1 1 -3  41 4  o 17.64656 7.243546 9.422364       20.02831 -20.93000      37.05439 21.94980       23.80534 18.05557 8.441396 21.41900 8.172113 -3.363424      11.74907 
1 1 1 -3  41 5  o 27.46134 6.794736 42.27296       18.16339 26.39000       39.71526 46.47366       20.42456 24.60385 10.16009 28.58989 7.280146 -3.986036      12.49912 
1 1 1 -3  41 6  o 26.36830 7.294192 39.51583       19.46109 0.000000       0.000000 39.51583       19.46109 ?        ?        26.36830 7.294192 ?              ?        
1 1 1 -3  41 7  o 25.25312 8.916174 36.00629       27.46258 0.000000       0.000000 36.00629       27.46258 ?        ?        25.25312 8.916174 ?              ?        
1 1 1 -3  41 8  o 19.79016 6.941720 20.13038       16.62665 47.17000       40.24920 14.56679       18.25722 28.21265 10.65814 18.44676 7.126251 9.765890       12.82105 
1 1 1 -3  41 9  o 29.08438 6.885594 47.63436       19.29671 16.84000       39.74519 57.13200       22.07278 23.06824 9.877482 31.70163 7.268661 -8.633390      12.26369 
1 1 1 -3  41 10 o 21.40253 6.961949 25.04610       16.71354 54.77000       40.63374 18.99317       18.33651 29.55609 10.79424 19.66610 7.239820 9.889990       12.99733 
1 1 1 -3  41 11 f 22.97968 6.766133 29.55268       16.24136 48.81000       41.78994 26.12649       17.62705 28.37914 10.82763 21.79712 7.153439 6.582029       12.97726 
1 1 1 -3  41 12 o 24.45038 6.518731 33.52004       15.88516 52.33000       40.46096 30.09236       17.27197 28.93990 10.73631 23.12256 7.018065 5.817343       12.82660 
1 1 1 -3  41 13 o 24.04526 6.490405 32.45296       15.62866 32.44000       40.33163 32.45525       16.95325 25.30065 10.31972 23.94361 6.873616 1.357044       12.39933 
1 1 1 -3  41 14 o 57.84664 3.560094 169.7240       20.06027 138.2000       46.05418 177.1055       22.28547 46.51155 10.37942 58.89906 3.887247 -12.38751      11.08346 
1 1 1 -3  41 15 o 24.85221 6.137724 34.36284       14.84110 10.48000       39.53862 38.27961       16.01188 21.93580 9.617790 26.16955 6.322251 -4.233757      11.50968 
1 1 1 -3  41 16 o 41.82098 4.245660 90.47214       17.13922 97.74000       42.76788 89.08160       18.70711 38.15303 10.90612 41.23999 4.719159 -3.086967      11.88334 
1 1 1 -3  41 17 o 23.45382 7.413097 31.44530       19.04883 90.85000       41.72070 15.80000       21.41082 36.72432 10.85260 19.26986 7.636074 17.45446       13.26984 
1 1 1 -3  41 18 o 24.28694 9.147783 32.82362       29.60025 51.11000       40.23486 11.25000       43.70190 28.43537 10.67484 22.62998 10.00917 5.805387       14.63337 
1 1 1 -3  41 19 o 23.76205 10.22758 20.74000       43.02935 0.000000       0.000000 20.74000       43.02935 ?        ?        23.76205 10.22758 ?              ?        
1 1 1 -3  41 20 o 35.54560 9.123244 78.31460       31.90008 100.1000       44.68839 55.68000       45.55104 38.16665 11.21964 29.22668 11.26537 8.939972       15.89933 
1 1 1 -3  41 21 o 16.41279 7.550085 -10.61056      27.87632 -29.18000      36.97001 13.86000       42.43968 16.98050 8.085415 22.65690 9.948246 -5.676401      12.81958 
1 1 1 -3  41 22 o 25.34946 9.148736 37.91873       29.07281 68.09000       38.83718 -0.5395000     43.84758 31.88256 10.62430 21.23485 9.654133 10.64772       14.35542 
1 1 1 -3  41 23 o 20.42833 8.546349 14.84881       28.62740 -9.798000      37.48078 49.36000       44.35149 18.93353 8.725927 27.97610 11.02014 -9.042566      14.05650 
1 1 1 -3  41 24 o 18.13624 8.043797 1.138051       28.41620 -18.98000      37.42952 28.51000       43.65904 17.99286 8.435259 24.71528 10.45904 -6.722424      13.43671 
1 1 1 -3  41 25 f 31.65323 9.309832 63.47687       30.76266 19.51000       40.40636 124.1000       47.44672 23.03851 9.913499 42.49079 11.23735 -19.45228      14.98518 
1 1 1 -3  41 26 o 39.73696 8.483726 95.16092       31.99374 70.28000       42.17171 128.9000       49.10827 31.87089 11.06356 43.02562 11.45727 -11.15474      15.92706 
1 1 1 -3  41 27 o 24.38452 9.242882 34.21240       30.32925 34.80000       40.47516 33.46000       45.80098 25.20502 10.31619 25.42416 10.73347 -0.2191353     14.88728 
1 1 1 -3  41 28 o 48.06220 9.965450 148.4000       45.34203 148.4000       45.34203 0.000000       0.000000 48.06220 9.965450 ?        ?        ?              ?        
1 1 1 -3  41 29 o 27.35145 9.458815 47.29161       30.81227 55.22000       40.47181 36.36000       47.52279 28.75897 10.72454 25.89829 10.93348 2.860683       15.31524 
1 1 1 -3  41 30 o 50.64790 11.24867 177.3000       54.31462 0.000000       0.000000 177.3000       54.31462 ?        ?        50.64790 11.24867 ?              ?        
1 1 1 -3  41 31 o 27.39753 9.514058 48.69432       31.18753 88.69000       41.58473 -2.721000      47.14912 35.23973 10.92607 21.10196 9.747268 14.13778       14.64201 
1 1 1 -3  41 32 o 16.13980 7.526145 -13.59534      29.14502 -31.15000      38.47160 10.05000       44.64951 16.84177 8.080945 21.88258 9.865288 -5.040813      12.75247 
1 1 1 -3  41 33 o 22.27681 9.044322 26.26556       30.80847 47.71000       40.99965 -1.548000      46.69293 26.58267 10.55624 20.83676 9.651162 5.745916       14.30312 
1 1 1 -3  41 34 o 19.15079 8.373211 9.286206       29.78244 -9.351000      38.94122 35.55000       46.22723 18.68103 8.707270 24.76596 10.62939 -6.084927      13.74047 
1 1 1 -3  42 1  o 52.13901 4.258800 140.0139       21.54564 147.0000       42.87773 137.6541       24.92027 49.31824 9.221072 51.19619 5.038091 -1.877945      10.50764 
1 1 1 -3  42 2  o 33.57372 6.648072 62.94909       21.07428 36.76000       38.27080 74.34636       25.24688 25.86126 10.22139 36.05589 7.401751 -10.19462      12.61994 
1 1 1 -3  42 3  o 46.85116 5.173138 115.9208       23.32903 65.30000       40.97108 140.2071       28.37877 31.42123 10.90508 51.13027 5.771066 -19.70904      12.33799 
1 1 1 -3  42 4  o 27.47890 6.831005 42.86832       18.29455 13.79000       36.89009 52.35220       21.06774 21.93573 9.455961 30.20407 7.223550 -8.268335      11.89936 
1 1 1 -3  42 5  f 19.12511 7.347314 16.73445       19.33093 0.000000       0.000000 16.73445       19.33093 ?        ?        19.12511 7.347314 ?              ?        
1 1 1 -3  42 6  o 41.56020 4.687254 90.33482       18.73565 63.42000       38.61603 98.62108       21.42649 31.08519 10.59454 43.15117 5.176029 -12.06598      11.79133 
1 1 1 -3  42 7  o 21.95927 7.967129 25.83739       22.08517 35.53000       35.51375 19.72519       28.20168 25.33362 9.896295 21.40369 8.666583 3.929926       13.15471 
1 1 1 -3  42 8  o 47.05132 4.290384 114.4078       19.54227 142.2000       40.93243 106.2026       22.24071 48.66343 8.921960 44.79702 5.166713 3.866413       10.31001 
1 1 1 -3  42 9  o 16.78428 6.757554 9.939107       17.03794 32.02000       34.64563 2.895488       19.56762 24.58749 9.722953 15.97386 6.886398 8.613623       11.91463 
1 1 1 -3  42 10 o 19.47819 7.252085 18.70018       18.49203 19.00000       34.91726 18.58331       21.80020 22.31528 9.393663 20.01760 7.772310 2.297680       12.19220 
1 1 1 -3  42 11 o 47.82736 4.121713 117.8519       19.10764 127.5000       40.93082 115.1634       21.60646 45.30012 9.533191 46.88123 4.775033 -1.581112      10.66221 
1 1 1 -3  42 12 o 14.38068 6.111055 3.083003       15.00995 16.33000       36.29362 0.3497390      16.48589 22.06681 9.443543 14.33783 6.250012 7.728979       11.32445 
1 1 1 -3  42 13 o 19.23035 6.726074 19.35494       15.60259 -15.39000      38.24954 26.29035       17.08899 18.59017 8.653056 21.69276 7.038476 -3.102589      11.15417 
1 1 1 -3  42 14 o 42.37202 4.320705 93.12142       17.66960 53.17000       41.08564 102.1876       19.57206 28.76837 10.78978 44.25113 4.584979 -15.48276      11.72354 
1 1 1 -3  42 15 f 17.93871 6.682613 15.27559       15.70608 12.45000       38.08064 15.85478       17.24079 21.83327 9.508439 18.42121 6.971891 3.412064       11.79058 
1 1 1 -3  42 16 o 23.68903 8.207472 32.18393       23.20354 32.74000       39.03180 31.88000       28.85611 24.98153 10.16611 23.94455 9.029171 1.036976       13.59690 
1 1 1 -3  42 17 o 27.77513 6.934360 44.32459       18.79329 23.36000       38.93831 50.69123       21.45799 23.42354 9.893187 29.44054 7.443271 -6.017004      12.38053 
1 1 1 -3  42 18 o 24.47937 10.38735 27.15000       43.25907 0.000000       0.000000 27.15000       43.25907 ?        ?        24.47937 10.38735 ?              ?        
1 1 1 -3  42 19 o 18.98977 8.245088 6.729855       28.45318 -10.93000      38.34794 28.36000       42.44028 18.98532 8.776997 24.53295 10.34336 -5.547621      13.56542 
1 1 1 -3  42 20 o 28.94726 9.301144 52.91947       29.88854 36.36000       40.28774 73.19000       44.57407 25.54493 10.35301 32.21530 11.36056 -6.670370      15.37034 
1 1 1 -3  42 21 o 41.85658 8.030182 103.3509       31.70360 129.3000       43.37625 73.59000       46.45305 44.71395 10.14436 32.13300 11.56867 12.58095       15.38642 
1 1 1 -3  42 22 o 15.74793 7.365896 -16.74570      28.26745 -18.55000      37.66901 -14.42000      42.76692 18.03903 8.458598 19.53297 9.111211 -1.493935      12.43230 
1 1 1 -3  42 23 f 22.02732 8.839648 23.30276       29.05371 11.66000       38.59446 38.53000       44.13747 21.62844 9.492071 26.09567 10.73682 -4.467236      14.33104 
1 1 1 -3  42 24 o 20.99310 8.685710 18.20075       29.10093 42.01000       38.64608 -12.98000      44.22582 26.27442 10.30591 19.86936 9.267190 6.405056       13.85975 
1 1 1 -3  42 25 o 23.32867 9.023191 29.96741       29.29691 61.81000       39.24613 -10.11000      44.02937 30.07974 10.65519 20.06913 9.321862 10.01060       14.15734 
1 1 1 -3  42 26 o 37.16336 10.80832 95.55000       41.66600 95.55000       41.66600 0.000000       0.000000 37.16336 10.80832 ?        ?        ?              ?        
1 1 1 -3  42 27 o 19.95890 8.458270 13.43557       28.62109 27.86000       36.96989 -8.142000      45.21683 23.56771 9.773912 20.37604 9.458351 3.191673       13.60109 
1 1 1 -3  42 28 o 24.48792 9.257585 35.89945       30.37859 2.774000       40.68468 77.64000       45.66980 20.61011 9.342136 32.29386 11.48869 -11.68375      14.80762 
1 1 1 -3  42 29 o 17.28502 7.942097 -7.418972      30.72239 -3.747000      43.21850 -11.17000      43.68125 20.25904 9.348725 19.63919 9.176348 0.6198444      13.09977 
1 1 1 -3  42 30 o 35.76307 9.062512 82.75123       31.75807 120.8000       43.11029 37.60000       46.96188 41.63744 10.56290 25.31308 10.78487 16.32436       15.09597 
1 1 1 -3  42 31 o 13.78479 6.682465 -33.37084      27.98849 -46.76000      37.02590 -15.52000      42.75218 15.24816 7.456841 18.87737 8.901275 -3.629215      11.61194 
1 1 1 -3  43 1  o 42.93037 6.828403 103.4129       27.73393 0.000000       0.000000 103.4129       27.73393 ?        ?        42.93037 6.828403 ?              ?        
1 1 1 -3  43 2  o 54.36382 4.599467 154.0626       24.24560 107.1000       39.27777 182.9736       30.81783 40.88350 9.917722 58.58574 5.436083 -17.70223      11.30983 
1 1 1 -3  43 3  o 21.62004 7.784560 25.32194       21.03435 0.000000       0.000000 25.32194       21.03435 ?        ?        21.62004 7.784560 ?              ?        
1 1 1 -3  43 4  o 21.22656 7.687434 24.08005       20.54957 0.000000       0.000000 24.08005       20.54957 ?        ?        21.22656 7.687434 ?              ?        
1 1 1 -3  43 5  o 13.53125 6.158797 -6.971374      17.90830 -18.57000      32.94526 -2.106920      21.33569 16.92228 7.927094 15.59168 6.939414 1.330599       10.53538 
1 1 1 -3  43 6  o 47.44163 4.343466 116.7341       19.94626 96.12000       39.60543 123.7395       23.08802 38.20925 10.34001 48.46716 4.935464 -10.25790      11.45751 
1 1 1 -3  43 7  o 23.01108 6.954263 30.13820       16.98479 59.69000       34.93840 20.99305       19.43599 30.30696 10.07633 20.22958 7.452600 10.07739       12.53290 
1 1 1 -3  43 8  f 18.15711 7.502289 10.78885       21.67162 -2.834000      33.87178 20.23061       28.19880 18.94721 8.562521 21.40397 8.666341 -2.456758      12.18287 
1 1 1 -3  43 9  o 20.01477 6.786350 21.63900       15.84197 73.51000       34.66438 7.945283       17.81074 33.70461 9.874331 16.47108 6.803023 17.23353       11.99098 
1 1 1 -3  43 10 o 16.45630 6.806460 7.842834       17.86272 -15.27000      33.66983 16.89628       21.07276 17.45583 8.122854 19.41608 7.611842 -1.960249      11.13198 
1 1 1 -3  43 11 o 34.52850 5.312079 64.09138       17.37893 67.75000       37.45166 63.08738       19.61911 31.82217 10.42611 33.75112 6.165740 -1.928947      12.11281 
1 1 1 -3  43 12 o 13.83691 6.010951 0.6265625      15.13905 -10.59000      33.82023 3.437282       16.92994 17.95053 8.278632 15.12244 6.460196 2.828092       10.50095 
1 1 1 -3  43 13 o 24.68353 6.594240 34.71766       16.23483 26.14000       36.77692 36.79376       18.09317 23.53052 9.752527 25.21959 7.054498 -1.689068      12.03652 
1 1 1 -3  43 14 o 37.69947 5.197508 75.97617       18.66966 50.34000       39.28987 83.45284       21.21817 28.00404 10.54109 39.22184 5.692969 -11.21780      11.98017 
1 1 1 -3  43 15 o 42.49398 4.342540 94.00145       17.80881 67.78000       40.20418 100.4024       19.86390 31.43725 10.80749 43.69967 4.718603 -12.26243      11.79267 
1 1 1 -3  43 16 o 24.20937 8.432901 34.41877       24.51168 0.000000       0.000000 34.41877       24.51168 ?        ?        24.20937 8.432901 ?              ?        
1 1 1 -3  43 17 o 26.29185 7.141218 40.22884       18.84988 18.64000       40.55516 46.17802       21.28925 22.84173 9.880760 27.93130 7.590376 -5.089577      12.45966 
1 1 1 -3  43 18 o 41.01080 8.217443 100.4713       31.83654 82.48000       42.44992 123.6000       48.13058 34.24830 11.09176 41.93755 11.41960 -7.689247      15.91962 
1 1 1 -3  43 19 o 24.08103 9.112332 33.09652       29.44892 27.78000       38.98705 40.16000       44.93822 23.95256 9.993657 26.32412 10.83261 -2.371557      14.73833 
1 1 1 -3  43 20 o 21.62320 8.833896 21.11661       29.61172 50.47000       39.54065 -16.37000      44.68407 27.87044 10.55599 19.66169 9.217276 8.208754       14.01382 
1 1 1 -3  43 21 o 34.28823 8.980926 74.12485       30.49497 124.6000       40.63956 9.079000       46.13387 44.09035 9.682302 22.31444 10.04677 21.77591       13.95294 
1 1 1 -3  43 22 o 19.04714 8.211525 8.872089       27.82432 -4.053000      35.69064 28.90000       44.42785 18.98248 8.660972 24.49223 10.46409 -5.509752      13.58343 
1 1 1 -3  43 23 o 23.12078 8.900603 29.59747       28.40905 56.50000       36.96959 -9.197000      44.39489 29.01380 10.33505 20.16664 9.364866 8.847164       13.94683 
1 1 1 -3  43 24 o 20.88896 8.568258 19.26084       27.99784 43.28000       36.15266 -16.73000      44.25450 26.22562 10.05477 19.39681 9.118282 6.828810       13.57356 
1 1 1 -3  43 25 o 20.09203 8.904081 7.452000       34.75048 7.452000       34.75048 0.000000       0.000000 20.09203 8.904081 ?        ?        ?              ?        
1 1 1 -3  43 26 o 20.77455 8.522667 19.64470       27.70622 40.52000       35.59609 -12.44000      44.13010 25.44271 9.916714 19.58417 9.174202 5.858541       13.50952 
1 1 1 -3  43 27 o 24.78790 10.55983 34.60000       45.01278 0.000000       0.000000 34.60000       45.01278 ?        ?        24.78790 10.55983 ?              ?        
1 1 1 -3  43 28 o 51.85586 6.573115 153.1720       32.61529 149.0000       42.87836 158.9000       50.24184 47.70993 9.515565 47.05175 11.09131 0.6581802      14.61380 
1 1 1 -3  43 29 o 26.85036 9.153884 47.61504       28.82831 51.65000       37.64046 41.89000       44.83575 27.21518 10.30118 25.57702 10.69759 1.638161       14.85102 
1 1 1 -3  44 1  o 16.56088 6.944981 7.112364       18.97335 0.000000       0.000000 7.112364       18.97335 ?        ?        16.56088 6.944981 ?              ?        
1 1 1 -3  44 2  o 17.99369 7.071499 13.88058       18.22528 0.000000       0.000000 13.88058       18.22528 ?        ?        17.99369 7.071499 ?              ?        
1 1 1 -3  44 3  o 25.18288 7.886775 37.65879       21.60874 0.000000       0.000000 37.65879       21.60874 ?        ?        25.18288 7.886775 ?              ?        
1 1 1 -3  44 4  o 18.49032 6.983393 16.39060       17.27672 10.88000       33.80506 18.33876       20.09997 20.65964 8.978473 19.52674 7.494483 1.132904       11.69531 
1 1 1 -3  44 5  o 16.49477 6.706870 9.278969       16.97149 -6.255000      35.66814 13.82514       19.29578 18.83347 8.617725 18.22071 7.239842 0.6127682      11.25524 
1 1 1 -3  44 6  o 38.46286 5.859895 80.87469       21.36560 0.000000       0.000000 80.87469       21.36560 ?        ?        38.46286 5.859895 ?              ?        
1 1 1 -3  44 7  o 20.37740 7.339636 22.09889       18.70052 36.91000       36.38496 16.78189       21.80024 25.30748 9.977601 19.44989 7.705907 5.857588       12.60688 
1 1 1 -3  44 8  o 34.18897 5.495520 63.40374       17.76772 71.72000       38.23830 61.11378       20.06540 32.45440 10.52845 32.97234 6.448279 -0.5179443     12.34620 
1 1 1 -3  44 9  o 26.17032 8.140649 41.29677       23.06363 74.64000       37.87600 21.64786       29.07565 33.14679 10.45008 21.65193 8.787885 11.49486       13.65398 
1 1 1 -3  44 10 o 23.07592 7.435648 30.80807       19.09238 24.44000       36.44828 33.21614       22.41341 23.10366 9.652869 23.80479 8.072079 -0.7011356     12.58318 
1 1 1 -3  44 11 o 47.87550 4.908788 121.1732       22.67808 118.3000       41.39869 122.4051       27.10707 42.56316 10.09121 47.29720 5.989272 -4.734043      11.73473 
1 1 1 -3  44 12 o 41.10906 5.148823 90.24438       20.26502 35.83000       39.57380 109.5850       23.59314 25.25867 10.25213 45.12870 5.451383 -19.87004      11.61136 
1 1 1 -3  44 13 o 12.26682 5.676149 -9.774760      16.09193 -19.65000      35.52519 -7.225440      18.04990 17.35199 8.160968 13.49023 6.156667 3.861755       10.22281 
1 1 1 -3  44 14 o 16.94507 6.563481 12.45980       15.51789 25.34000       36.14778 9.549825       17.18165 23.18672 9.644407 16.59371 6.747833 6.593012       11.77064 
1 1 1 -3  44 15 o 37.38096 5.546422 75.82631       19.67959 0.000000       0.000000 75.82631       19.67959 ?        ?        37.38096 5.546422 ?              ?        
1 1 1 -3  44 16 o 27.11835 7.663770 43.91700       21.23937 62.73000       37.35905 34.93238       25.81763 30.38309 10.41899 24.26858 8.637563 6.114504       13.53377 
1 1 1 -3  44 17 o 19.63417 8.360467 12.03077       28.19257 7.553000       36.30794 18.83000       44.74047 20.50254 9.092900 23.18345 10.19572 -2.680910      13.66139 
1 1 1 -3  44 18 o 21.83060 8.738923 23.73248       28.32208 28.18000       36.73010 17.21000       44.48049 23.57536 9.756440 22.93114 10.12214 0.6442242      14.05866 
1 1 1 -3  44 19 o 21.22445 8.647528 20.74089       28.28222 54.21000       37.01630 -26.20000      43.83757 28.43276 10.31468 18.53688 8.820251 9.895880       13.57164 
1 1 1 -3  44 20 o 17.04286 7.667169 -2.224667      26.80728 1.400000       34.38033 -7.846000      42.81497 19.31031 8.685428 19.93976 9.237784 -0.6294537     12.67964 
1 1 1 -3  44 21 o 34.40890 8.601281 74.04050       28.88832 44.90000       36.92791 120.0000       46.37605 26.41816 10.15348 40.90322 11.23868 -14.48506      15.14599 
1 1 1 -3  44 22 o 17.04624 7.683771 -2.059410      27.07435 -23.30000      34.72113 30.89000       43.24485 16.62378 7.892662 24.33405 10.35789 -7.710272      13.02228 
1 1 1 -3  44 23 o 13.90737 6.845982 -51.51000      32.85258 -51.51000      32.85258 0.000000       0.000000 13.90737 6.845982 ?        ?        ?              ?        
1 1 1 -3  44 24 o 23.53962 8.901486 33.34698       28.09089 47.19000       36.04685 11.94000       44.82597 26.51943 10.07086 21.92516 9.884597 4.594276       14.11125 
1 1 1 -3  44 25 f 29.07373 11.25020 64.38000       45.55776 0.000000       0.000000 64.38000       45.55776 ?        ?        29.07373 11.25020 ?              ?        
1 1 1 -3  44 26 o 19.27112 8.308145 11.91943       28.48336 -25.85000      37.50983 63.36000       43.77516 16.84506 8.054839 28.91167 11.06924 -12.06661      13.68972 
1 1 1 -3  45 1  o 40.35254 6.161063 90.14427       23.56487 0.000000       0.000000 90.14427       23.56487 ?        ?        40.35254 6.161063 ?              ?        
1 1 1 -3  45 2  o 22.25126 7.940244 27.95818       21.83106 0.000000       0.000000 27.95818       21.83106 ?        ?        22.25126 7.940244 ?              ?        
1 1 1 -3  45 3  o 24.95580 7.326183 36.61383       19.06526 0.000000       0.000000 36.61383       19.06526 ?        ?        24.95580 7.326183 ?              ?        
1 1 1 -3  45 4  o 17.77524 6.961033 13.77073       17.60735 0.000000       0.000000 13.77073       17.60735 ?        ?        17.77524 6.961033 ?              ?        
1 1 1 -3  45 5  o 28.07120 7.437743 46.65699       20.76083 0.000000       0.000000 46.65699       20.76083 ?        ?        28.07120 7.437743 ?              ?        
1 1 1 -3  45 6  o 23.81599 6.995257 32.90780       17.37789 59.27000       34.26580 23.77965       20.16329 29.86011 9.980086 20.94096 7.610426 8.919153       12.55072 
1 1 1 -3  45 7  o 12.73850 5.824839 -7.246044      16.25867 -19.50000      33.27580 -3.403200      18.63445 16.76140 7.887925 14.33583 6.425432 2.425569       10.17377 
1 1 1 -3  45 8  o 30.58054 6.176912 52.40953       17.85208 43.03000       38.45000 54.98710       20.15632 26.33831 10.29481 30.91809 6.841553 -4.579781      12.36082 
1 1 1 -3  45 9  o 20.26648 8.566695 14.40799       29.23524 0.000000       0.000000 14.40799       29.23524 ?        ?        20.26648 8.566695 ?              ?        
1 1 1 -3  45 10 f 34.93418 5.777252 67.05663       19.06515 78.43000       38.80556 63.43791       21.88903 33.65152 10.57323 33.16689 6.964494 0.4846306      12.66086 
1 1 1 -3  45 11 o 42.83429 6.112017 101.5628       24.90017 84.97000       39.50494 112.5000       32.07349 34.93869 10.61576 43.62983 7.796441 -8.691135      13.17114 
1 1 1 -3  45 12 o 14.60502 6.273467 2.795382       16.12713 32.64000       35.49428 -4.968600      18.10371 24.17481 9.746296 13.83535 6.255425 10.33945       11.58105 
1 1 1 -3  45 13 o 33.09991 6.224437 61.52192       19.42657 0.000000       0.000000 61.52192       19.42657 ?        ?        33.09991 6.224437 ?              ?        
1 1 1 -3  45 14 o 11.96813 5.542837 -9.452274      15.39546 -3.829000      36.22895 -10.69152      17.00748 19.02371 8.697379 12.47293 5.793559 6.550785       10.45035 
1 1 1 -3  45 15 o 14.75869 6.250240 4.289628       15.61064 -5.483000      34.55452 6.795633       17.49807 18.48297 8.466641 15.95335 6.678456 2.529622       10.78359 
1 1 1 -3  45 16 o 15.76461 6.879898 2.175280       20.02575 -39.05000      33.95214 24.16841       24.79870 15.16404 7.353198 21.43566 8.298753 -6.271623      11.08778 
1 1 1 -3  45 17 o 32.23289 8.855933 66.41523       28.79683 69.95000       37.40262 61.27000       45.12572 31.57093 10.42308 29.13510 11.21721 2.435829       15.31230 
1 1 1 -3  45 18 o 21.19641 8.559143 22.12030       27.42217 44.62000       34.96762 -13.82000      44.19453 26.19565 9.925637 19.44303 9.131224 6.752619       13.48694 
1 1 1 -3  45 19 o 21.67729 8.627133 24.68919       27.44172 -0.1031000     34.81353 65.37000       44.59483 18.99743 8.623292 29.66613 11.21618 -10.66870      14.14793 
1 1 1 -3  45 20 o 26.88273 9.113786 47.27180       28.57150 46.28000       36.93306 48.75000       45.08881 26.32242 10.14441 26.74374 10.91023 -0.4213238     14.89773 
1 1 1 -3  45 21 o 24.16965 8.969325 36.51025       28.24267 32.24000       36.02552 43.32000       45.49344 23.64671 9.711553 25.78993 10.78042 -2.143215      14.50971 
1 1 1 -3  45 22 o 16.00789 7.653910 -25.36000      33.85395 -25.36000      33.85395 0.000000       0.000000 16.00789 7.653910 ?        ?        ?              ?        
1 1 1 -3  45 23 o 32.98155 8.904040 71.59533       29.41089 38.47000       37.71484 123.0000       46.98221 24.61283 10.00164 40.12231 11.41839 -15.50948      15.17934 
1 1 1 -3  45 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -3  46 1  o 17.94640 7.474032 10.85677       21.74807 0.000000       0.000000 10.85677       21.74807 ?        ?        17.94640 7.474032 ?              ?        
1 1 1 -3  46 2  o 20.51658 7.778704 22.08302       21.48456 0.000000       0.000000 22.08302       21.48456 ?        ?        20.51658 7.778704 ?              ?        
1 1 1 -3  46 3  o 20.54729 7.396538 23.16662       18.98837 0.000000       0.000000 23.16662       18.98837 ?        ?        20.54729 7.396538 ?              ?        
1 1 1 -3  46 4  o 21.72345 7.274084 27.12189       18.20213 0.000000       0.000000 27.12189       18.20213 ?        ?        21.72345 7.274084 ?              ?        
1 1 1 -3  46 5  o 20.84594 7.263379 24.36524       18.18499 0.000000       0.000000 24.36524       18.18499 ?        ?        20.84594 7.263379 ?              ?        
1 1 1 -3  46 6  o 28.48829 6.705534 46.95613       18.38571 0.000000       0.000000 46.95613       18.38571 ?        ?        28.48829 6.705534 ?              ?        
1 1 1 -3  46 7  o 19.66212 7.009305 20.90260       17.00789 0.000000       0.000000 20.90260       17.00789 ?        ?        19.66212 7.009305 ?              ?        
1 1 1 -3  46 8  o 18.32920 7.223695 15.06741       19.06534 0.000000       0.000000 15.06741       19.06534 ?        ?        18.32920 7.223695 ?              ?        
1 1 1 -3  46 9  o 16.29731 6.828301 7.361153       18.31595 -4.491000      33.01629 12.63027       22.01399 18.20972 8.316706 18.37549 7.573824 -0.1657772     11.24857 
1 1 1 -3  46 10 o 30.97325 8.620892 60.58190       27.09259 33.32000       36.40800 94.41000       40.55622 24.23807 9.835117 36.63449 10.66597 -12.39643      14.50836 
1 1 1 -3  46 11 o 13.77531 6.308543 -7.504788      19.16760 14.11000       35.43655 -16.44404      22.78906 21.03948 9.167425 13.85883 6.523758 7.180646       11.25172 
1 1 1 -3  46 12 o 44.43066 5.218002 106.5534       22.26105 0.000000       0.000000 106.5534       22.26105 ?        ?        44.43066 5.218002 ?              ?        
1 1 1 -3  46 13 f 37.20161 5.118999 74.78968       18.14664 62.33000       38.71692 78.29740       20.54281 29.54235 10.57055 37.62619 5.760889 -8.083841      12.03845 
1 1 1 -3  46 14 o 38.22640 5.487657 80.04778       19.94525 35.48000       38.63015 96.24699       23.28964 24.49534 10.05790 41.65753 5.874576 -17.16218      11.64783 
1 1 1 -3  46 15 o 40.78772 4.694030 88.63112       18.39921 89.05000       39.23705 88.51305       20.83154 35.20248 10.55459 40.23137 5.428312 -5.028893      11.86869 
1 1 1 -3  46 16 o 21.12587 8.570111 22.59578       27.63654 21.46000       35.24109 24.41000       44.53978 21.83609 9.324187 23.20925 10.19107 -1.373156      13.81298 
1 1 1 -3  46 17 o 33.27159 8.835825 72.23456       29.25690 51.50000       37.31919 105.3000       47.12724 27.07150 10.25477 36.46687 11.67563 -9.395372      15.53965 
1 1 1 -3  46 18 f 32.50906 8.978260 70.11966       29.51148 87.82000       38.30519 44.27000       46.29074 34.71865 10.43284 25.67371 10.81213 9.044941       15.02485 
1 1 1 -3  46 19 o 13.51834 6.543656 -30.38027      26.58600 -24.85000      33.78804 -39.37000      43.07873 15.97831 7.641578 16.93275 8.227530 -0.9544392     11.22880 
1 1 1 -3  46 20 o 20.83009 9.124791 16.18000       35.51776 16.18000       35.51776 0.000000       0.000000 20.83009 9.124791 ?        ?        ?              ?        
1 1 1 -3  47 1  o 15.54516 7.089007 -5.741213      23.87119 0.000000       0.000000 -5.741213      23.87119 ?        ?        15.54516 7.089007 ?              ?        
1 1 1 -3  47 2  o 20.60951 7.395724 23.84943       18.96730 0.000000       0.000000 23.84943       18.96730 ?        ?        20.60951 7.395724 ?              ?        
1 1 1 -3  47 3  o 18.76264 7.439285 16.35802       20.33228 0.000000       0.000000 16.35802       20.33228 ?        ?        18.76264 7.439285 ?              ?        
1 1 1 -3  47 4  o 28.84912 6.910995 49.04438       19.25889 0.000000       0.000000 49.04438       19.25889 ?        ?        28.84912 6.910995 ?              ?        
1 1 1 -3  47 5  o 28.17456 6.853665 46.73159       18.71756 0.000000       0.000000 46.73159       18.71756 ?        ?        28.17456 6.853665 ?              ?        
1 1 1 -3  47 6  o 17.21274 6.928760 12.14987       17.90858 0.000000       0.000000 12.14987       17.90858 ?        ?        17.21274 6.928760 ?              ?        
1 1 1 -3  47 7  o 12.76761 5.865508 -7.570164      16.74778 0.000000       0.000000 -7.570164      16.74778 ?        ?        12.76761 5.865508 ?              ?        
1 1 1 -3  47 8  o 20.84534 7.453816 24.80534       19.24817 0.000000       0.000000 24.80534       19.24817 ?        ?        20.84534 7.453816 ?              ?        
1 1 1 -3  47 9  o 13.34639 6.080689 -5.768888      17.51180 0.000000       0.000000 -5.768888      17.51180 ?        ?        13.34639 6.080689 ?              ?        
1 1 1 -3  47 10 o 27.33806 9.233680 50.16172       29.32693 0.000000       0.000000 50.16172       29.32693 ?        ?        27.33806 9.233680 ?              ?        
1 1 1 -3  47 11 f 12.90521 6.033956 -12.13504      18.93895 0.000000       0.000000 -12.13504      18.93895 ?        ?        12.90521 6.033956 ?              ?        
1 1 1 -3  47 12 f 24.36669 7.445754 36.39501       19.39754 41.53000       34.47391 34.01610       23.46440 25.04640 9.760031 23.39473 8.243224 1.651669       12.77533 
1 1 1 -3  47 13 o 40.33474 4.923151 87.98568       19.03467 62.51000       37.80816 96.63528       22.03031 28.98737 10.43675 41.80512 5.518389 -12.81775      11.80586 
1 1 1 -3  47 14 o 33.31942 6.683309 65.15292       21.03790 39.35000       36.55663 77.93014       25.72467 24.52991 9.890503 35.67327 7.599975 -11.14336      12.47324 
1 1 1 -3  47 15 o 21.54846 9.729037 13.82000       43.61101 0.000000       0.000000 13.82000       43.61101 ?        ?        21.54846 9.729037 ?              ?        
1 1 1 -3  47 16 f 23.87834 9.798084 36.44000       36.62920 36.44000       36.62920 0.000000       0.000000 23.87834 9.798084 ?        ?        ?              ?        
1 1 1 -3  48 1  o 27.27861 7.126862 45.22043       19.23553 0.000000       0.000000 45.22043       19.23553 ?        ?        27.27861 7.126862 ?              ?        
1 1 1 -3  48 2  o 22.09642 8.246678 29.44639       23.94016 0.000000       0.000000 29.44639       23.94016 ?        ?        22.09642 8.246678 ?              ?        
1 1 1 -3  48 3  o 15.82737 6.722631 6.658925       18.14980 0.000000       0.000000 6.658925       18.14980 ?        ?        15.82737 6.722631 ?              ?        
1 1 1 -3  48 4  o 42.13434 5.715209 99.23845       22.96367 0.000000       0.000000 99.23845       22.96367 ?        ?        42.13434 5.715209 ?              ?        
1 1 1 -3  48 5  o 26.28555 7.275494 42.49064       19.35525 0.000000       0.000000 42.49064       19.35525 ?        ?        26.28555 7.275494 ?              ?        
1 1 1 -3  48 6  o 15.06303 6.493796 4.151055       17.40039 0.000000       0.000000 4.151055       17.40039 ?        ?        15.06303 6.493796 ?              ?        
1 1 1 -3  48 7  o 16.77326 7.013528 9.712654       19.26416 0.000000       0.000000 9.712654       19.26416 ?        ?        16.77326 7.013528 ?              ?        
1 1 1 -3  48 8  o 21.41558 7.213634 27.40135       17.89892 0.000000       0.000000 27.40135       17.89892 ?        ?        21.41558 7.213634 ?              ?        
1 1 1 -3  48 9  o 23.79085 10.29661 34.04000       44.08597 0.000000       0.000000 34.04000       44.08597 ?        ?        23.79085 10.29661 ?              ?        
1 1 1 -2  0  1  o 216.3358 6.117389 2297.165       129.3048 2297.165       129.3048 2297.165       129.3048 216.3358 6.117389 216.3358 6.117389 -0.000000      0.000000 
1 1 1 -2  0  2  o 255.4762 7.066697 3203.795       176.4092 3203.795       176.4092 3203.795       176.4092 255.4762 7.066697 255.4762 7.066697 -0.000000      0.000000 
1 1 1 -2  0  3  o 124.3574 4.067813 759.4625       49.39509 759.4625       49.39509 759.4625       49.39509 124.3574 4.067813 124.3574 4.067813 -0.000000      0.000000 
1 1 1 -2  0  4  o 393.0373 10.50941 7587.854       403.6603 7587.854       403.6603 7587.854       403.6603 393.0373 10.50941 393.0373 10.50941 0.000000       0.000000 
1 1 1 -2  0  5  o 115.1700 3.926181 651.5601       44.14375 651.5601       44.14375 651.5601       44.14375 115.1700 3.926181 115.1700 3.926181 -0.000000      0.000000 
1 1 1 -2  0  6  o 242.5771 6.774031 2888.415       160.5598 2888.415       160.5598 2888.415       160.5598 242.5771 6.774031 242.5771 6.774031 -0.000000      0.000000 
1 1 1 -2  0  7  o 96.95536 3.676326 462.1400       34.77522 462.1400       34.77522 462.1400       34.77522 96.95536 3.676326 96.95536 3.676326 -0.000000      0.000000 
1 1 1 -2  0  8  o 413.3553 11.04038 8397.686       445.9774 8397.686       445.9774 8397.686       445.9774 413.3553 11.04038 413.3553 11.04038 -0.000000      0.000000 
1 1 1 -2  0  9  o 70.91350 3.557519 248.0305       24.55100 248.0305       24.55100 248.0305       24.55100 70.91350 3.557519 70.91350 3.557519 -0.000000      0.000000 
1 1 1 -2  0  10 o 268.2554 7.426172 3534.919       194.6554 3534.919       194.6554 3534.919       194.6554 268.2554 7.426172 268.2554 7.426172 -0.000000      0.000000 
1 1 1 -2  0  11 o 362.8684 9.781905 6474.864       346.8685 6474.864       346.8685 6474.864       346.8685 362.8684 9.781905 362.8684 9.781905 -0.000000      0.000000 
1 1 1 -2  0  12 o 111.8475 4.084314 614.9377       44.57934 614.9377       44.57934 614.9377       44.57934 111.8475 4.084314 111.8475 4.084314 0.000000       0.000000 
1 1 1 -2  0  13 o 114.4033 4.170968 643.3087       46.56591 643.3087       46.56591 643.3087       46.56591 114.4033 4.170968 114.4033 4.170968 -0.000000      0.000000 
1 1 1 -2  0  14 o 127.5449 4.392417 799.2111       54.68929 799.2111       54.68929 799.2111       54.68929 127.5449 4.392417 127.5449 4.392417 -0.000000      0.000000 
1 1 1 -2  0  15 f 395.6761 10.60873 7688.952       410.2069 7688.952       410.2069 7688.952       410.2069 395.6761 10.60873 395.6761 10.60873 -0.000000      0.000000 
1 1 1 -2  0  16 o 268.8910 7.485028 3549.001       196.6592 3549.001       196.6592 3549.001       196.6592 268.8910 7.485028 268.8910 7.485028 0.000000       0.000000 
1 1 1 -2  0  17 o 295.8878 8.140627 4297.783       235.3679 4297.783       235.3679 4297.783       235.3679 295.8878 8.140627 295.8878 8.140627 -0.000000      0.000000 
1 1 1 -2  0  18 o 387.8553 10.42416 7387.949       395.1004 7387.949       395.1004 7387.949       395.1004 387.8553 10.42416 387.8553 10.42416 -0.000000      0.000000 
1 1 1 -2  0  19 o 216.5928 8.928141 2310.000       188.5501 2310.000       188.5501 2310.000       188.5501 216.5928 8.928141 216.5928 8.928141 -0.000000      0.000000 
1 1 1 -2  0  20 o 334.6660 12.94015 5519.000       422.4523 5519.000       422.4523 5519.000       422.4523 334.6660 12.94015 334.6660 12.94015 -0.000000      0.000000 
1 1 1 -2  0  21 o 107.7782 4.477851 571.6344       47.05386 571.6344       47.05386 571.6344       47.05386 107.7782 4.477851 107.7782 4.477851 0.000000       0.000000 
1 1 1 -2  0  22 o 62.90467 7.605379 202.2000       45.01125 202.2000       45.01125 202.2000       45.01125 62.90467 7.605379 62.90467 7.605379 0.000000       0.000000 
1 1 1 -2  0  23 o 265.0040 10.57062 3462.000       273.2016 3462.000       273.2016 3462.000       273.2016 265.0040 10.57062 265.0040 10.57062 0.000000       0.000000 
1 1 1 -2  0  24 o 142.4553 4.870465 997.2909       67.73324 997.2909       67.73324 997.2909       67.73324 142.4553 4.870465 142.4553 4.870465 -0.000000      0.000000 
1 1 1 -2  0  25 o 197.9010 5.923320 1923.971       114.5084 1923.971       114.5084 1923.971       114.5084 197.9010 5.923320 197.9010 5.923320 0.000000       0.000000 
1 1 1 -2  0  26 o 232.6185 9.596068 2670.000       217.6490 2670.000       217.6490 2670.000       217.6490 232.6185 9.596068 232.6185 9.596068 0.000000       0.000000 
1 1 1 -2  0  27 o 116.9989 4.601910 673.5784       52.51632 673.5784       52.51632 673.5784       52.51632 116.9989 4.601910 116.9989 4.601910 -0.000000      0.000000 
1 1 1 -2  0  28 o 244.1116 6.973789 2929.463       166.3263 2929.463       166.3263 2929.463       166.3263 244.1116 6.973789 244.1116 6.973789 -0.000000      0.000000 
1 1 1 -2  0  29 o 128.8286 4.762285 816.4242       59.86641 816.4242       59.86641 816.4242       59.86641 128.8286 4.762285 128.8286 4.762285 -0.000000      0.000000 
1 1 1 -2  0  30 o 131.7537 4.807631 853.9128       61.81362 853.9128       61.81362 853.9128       61.81362 131.7537 4.807631 131.7537 4.807631 -0.000000      0.000000 
1 1 1 -2  0  31 o 207.6530 6.182192 2120.122       125.4049 2120.122       125.4049 2120.122       125.4049 207.6530 6.182192 207.6530 6.182192 0.000000       0.000000 
1 1 1 -2  0  32 o 228.3129 6.658405 2564.145       148.5149 2564.145       148.5149 2564.145       148.5149 228.3129 6.658405 228.3129 6.658405 0.000000       0.000000 
1 1 1 -2  0  33 f 248.2313 7.122338 3032.824       172.7332 3032.824       172.7332 3032.824       172.7332 248.2313 7.122338 248.2313 7.122338 0.000000       0.000000 
1 1 1 -2  0  34 o 186.3765 5.799499 1709.118       105.5684 1709.118       105.5684 1709.118       105.5684 186.3765 5.799499 186.3765 5.799499 0.000000       0.000000 
1 1 1 -2  0  35 o 184.8206 5.790927 1681.345       104.5291 1681.345       104.5291 1681.345       104.5291 184.8206 5.790927 184.8206 5.790927 0.000000       0.000000 
1 1 1 -2  0  36 o 174.7928 5.626886 1504.585       96.04536 1504.585       96.04536 1504.585       96.04536 174.7928 5.626886 174.7928 5.626886 -0.000000      0.000000 
1 1 1 -2  0  37 o 74.98225 5.333101 280.2200       38.67852 280.2200       38.67852 280.2200       38.67852 74.98225 5.333101 74.98225 5.333101 0.000000       0.000000 
1 1 1 -2  0  38 o 198.3148 8.770498 1957.000       169.4895 1957.000       169.4895 1957.000       169.4895 198.3148 8.770498 198.3148 8.770498 -0.000000      0.000000 
1 1 1 -2  0  39 o 138.7377 7.375184 958.6000       99.50471 958.6000       99.50471 958.6000       99.50471 138.7377 7.375184 138.7377 7.375184 0.000000       0.000000 
1 1 1 -2  0  40 o 260.7599 7.513261 3373.411       191.4073 3373.411       191.4073 3373.411       191.4073 260.7599 7.513261 260.7599 7.513261 0.000000       0.000000 
1 1 1 -2  0  41 o 106.2135 6.932031 565.2000       71.35470 565.2000       71.35470 565.2000       71.35470 106.2135 6.932031 106.2135 6.932031 -0.000000      0.000000 
1 1 1 -2  0  42 f 33.88668 10.89684 72.57547       31.89071 72.57547       31.89071 72.57547       31.89071 33.88668 10.89684 33.88668 10.89684 -0.000000      0.000000 
1 1 1 -2  0  43 o 54.66782 6.870875 154.9277       35.19329 154.9277       35.19329 154.9277       35.19329 54.66782 6.870875 54.66782 6.870875 -0.000000      0.000000 
1 1 1 -2  0  44 f 85.28086 5.370145 363.4553       44.41506 363.4553       44.41506 363.4553       44.41506 85.28086 5.370145 85.28086 5.370145 -0.000000      0.000000 
1 1 1 -2  0  45 o 45.53069 8.622937 113.8439       34.41677 113.8439       34.41677 113.8439       34.41677 45.53069 8.622937 45.53069 8.622937 0.000000       0.000000 
1 1 1 -2  0  46 o 57.28622 6.717752 169.7522       36.31379 169.7522       36.31379 169.7522       36.31379 57.28622 6.717752 57.28622 6.717752 -0.000000      0.000000 
1 1 1 -2  0  47 o 77.92036 5.682204 306.0189       42.79769 306.0189       42.79769 306.0189       42.79769 77.92036 5.682204 77.92036 5.682204 0.000000       0.000000 
1 1 1 -2  0  48 o 50.81515 7.763331 138.2742       35.94258 138.2742       35.94258 138.2742       35.94258 50.81515 7.763331 50.81515 7.763331 -0.000000      0.000000 
1 1 1 -2  0  49 o 26.34012 11.85302 52.35683       32.71291 52.35683       32.71291 52.35683       32.71291 26.34012 11.85302 26.34012 11.85302 -0.000000      0.000000 
1 1 1 -2  0  50 o 60.28246 6.266166 187.6814       35.97715 187.6814       35.97715 187.6814       35.97715 60.28246 6.266166 60.28246 6.266166 -0.000000      0.000000 
1 1 1 -2  0  51 o 55.19197 6.878428 160.2235       35.60333 160.2235       35.60333 160.2235       35.60333 55.19197 6.878428 55.19197 6.878428 0.000000       0.000000 
1 1 1 -2  0  52 o 43.43765 9.886505 110.2867       36.63633 110.2867       36.63633 110.2867       36.63633 43.43765 9.886505 43.43765 9.886505 -0.000000      0.000000 
1 1 1 -2  0  53 o 81.90321 8.853667 357.9000       68.88174 357.9000       68.88174 357.9000       68.88174 81.90321 8.853667 81.90321 8.853667 0.000000       0.000000 
1 1 1 -2  0  54 o 21.49024 12.91255 32.11000       48.93985 32.11000       48.93985 32.11000       48.93985 21.49024 12.91255 21.49024 12.91255 -0.000000      0.000000 
1 1 1 -2  0  55 o 22.77453 12.85934 41.92000       43.86735 41.92000       43.86735 41.92000       43.86735 22.77453 12.85934 22.77453 12.85934 -0.000000      0.000000 
1 1 1 -2  0  56 o 20.48769 12.24882 30.04000       43.60979 30.04000       43.60979 30.04000       43.60979 20.48769 12.24882 20.48769 12.24882 -0.000000      0.000000 
1 1 1 -2  0  57 o 24.13187 12.32592 48.02000       36.72304 48.02000       36.72304 48.02000       36.72304 24.13187 12.32592 24.13187 12.32592 -0.000000      0.000000 
1 1 1 -2  0  58 o 19.56538 10.61325 30.31951       28.54370 30.31951       28.54370 30.31951       28.54370 19.56538 10.61325 19.56538 10.61325 -0.000000      0.000000 
1 1 1 -2  0  59 o 26.73214 11.16238 53.48878       29.21871 53.48878       29.21871 53.48878       29.21871 26.73214 11.16238 26.73214 11.16238 -0.000000      0.000000 
1 1 1 -2  0  60 o 42.02767 8.533963 101.3427       31.07563 101.3427       31.07563 101.3427       31.07563 42.02767 8.533963 42.02767 8.533963 -0.000000      0.000000 
1 1 1 -2  0  61 o 39.73750 9.138706 93.47820       30.94650 93.47820       30.94650 93.47820       30.94650 39.73750 9.138706 39.73750 9.138706 0.000000       0.000000 
1 1 1 -2  0  62 o 44.01909 8.087157 109.4422       31.37577 109.4422       31.37577 109.4422       31.37577 44.01909 8.087157 44.01909 8.087157 0.000000       0.000000 
1 1 1 -2  0  63 o 19.10434 10.53804 29.57746       28.63884 29.57746       28.63884 29.57746       28.63884 19.10434 10.53804 19.10434 10.53804 0.000000       0.000000 
1 1 1 -2  1  1  o 483.7204 9.052680 11477.05       428.6253 11424.24       604.3112 11530.52       608.0415 481.9000 12.82282 484.1342 12.84236 -2.234161      18.14803 
1 1 1 -2  1  2  o 267.5025 5.186864 3504.685       135.8123 3598.944       195.4208 3416.629       188.8812 270.8749 7.377350 263.9243 7.318508 6.950623       10.39162 
1 1 1 -2  1  3  o 239.4667 6.676640 2812.076       156.3454 2927.000       226.7946 2708.000       215.8247 244.0701 9.511392 234.7576 9.411449 9.312561       13.38066 
1 1 1 -2  1  4  o 170.5686 3.575561 1424.376       59.69659 1357.642       81.92894 1499.907       87.16125 166.4206 5.035281 174.9273 5.095922 -8.506683      7.163970 
1 1 1 -2  1  5  o 411.8307 7.743775 8314.133       312.1603 8179.847       436.5334 8454.659       446.5600 408.0176 10.94018 414.8096 11.00801 -6.792023      15.51979 
1 1 1 -2  1  6  o 319.7559 6.110425 5009.107       191.2477 4974.039       269.1488 5044.870       271.8009 318.3541 8.645257 320.6120 8.668892 -2.257935      12.24296 
1 1 1 -2  1  7  o 183.2497 3.794436 1644.195       68.06075 1666.995       97.05303 1622.131       95.47133 184.3966 5.382885 181.8971 5.368047 2.499481       7.602064 
1 1 1 -2  1  8  o 399.0338 7.521815 7808.350       293.7910 7734.797       412.7380 7883.893       418.2841 396.6147 10.64123 400.4146 10.68177 -3.799896      15.07767 
1 1 1 -2  1  9  o 211.4515 4.267328 2189.954       88.32284 2212.538       125.7228 2167.946       124.1076 212.3697 6.054227 210.2183 6.037703 2.151352       8.550294 
1 1 1 -2  1  10 o 322.6000 6.175765 5103.397       195.0120 5078.113       274.9326 5128.998       276.6526 321.3646 8.748349 322.9699 8.759265 -1.605347      12.37976 
1 1 1 -2  1  11 o 217.0205 4.371633 2307.394       92.86469 2257.497       129.5907 2360.065       133.1424 214.4633 6.179703 219.2821 6.209323 -4.818832      8.760389 
1 1 1 -2  1  12 o 312.4070 6.001890 4784.690       183.5334 4781.576       259.4501 4787.809       259.6608 311.9245 8.505575 312.1277 8.506933 -0.2031860     12.02966 
1 1 1 -2  1  13 o 392.3861 7.416025 7550.586       284.8335 7551.435       402.8518 7549.738       402.7790 391.8703 10.51209 391.8264 10.51137 0.4391479E-01  14.86584 
1 1 1 -2  1  14 o 451.6196 8.474281 10002.29       374.6122 9902.712       526.0038 10104.79       533.6418 448.7549 11.98567 453.3044 12.03755 -4.549438      16.98703 
1 1 1 -2  1  15 o 734.2386 13.61495 26499.89       978.4974 26312.31       1376.528 26691.49       1391.197 729.7916 19.28683 735.0109 19.35382 -5.219299      27.32311 
1 1 1 -2  1  16 o 410.9104 7.747411 8274.708       311.6089 8257.211       440.0688 8292.303       441.2969 410.0538 10.97398 410.9239 10.98127 -0.8700867     15.52471 
1 1 1 -2  1  17 o 280.1365 5.464160 3843.396       149.8302 3793.289       210.0577 3895.291       213.7749 278.1019 7.724124 281.8165 7.757065 -3.714569      10.94688 
1 1 1 -2  1  18 o 240.2697 6.805761 2830.805       159.8984 2989.000       234.3462 2693.000       218.7224 246.6559 9.725509 234.1199 9.564540 12.53593       13.64060 
1 1 1 -2  1  19 o 220.2576 6.356450 2378.784       136.8980 2465.000       198.1164 2300.000       189.3847 224.0038 9.054299 216.3728 8.961427 7.630997       12.73921 
1 1 1 -2  1  20 o 395.4196 8.664708 7668.722       335.3655 8407.000       617.9809 7360.538       399.2732 412.7999 15.32087 387.0510 10.54875 25.74890       18.60122 
1 1 1 -2  1  21 o 521.5247 13.85127 13404.97       706.4576 0.000000       0.000000 13404.97       706.4576 ?        ?        521.5247 13.85127 ?              ?        
1 1 1 -2  1  22 o 196.5923 4.777617 1893.200       91.93567 1963.000       162.3604 1860.258       111.5403 199.8309 8.318826 194.7430 5.858113 5.087967       10.17449 
1 1 1 -2  1  23 f 303.2234 5.887598 4506.970       174.7459 4288.229       238.7473 4759.367       256.4582 295.4340 8.264160 311.2291 8.426165 -15.79507      11.80240 
1 1 1 -2  1  24 o 196.0872 4.774536 1884.084       91.64033 1866.246       111.6059 1921.000       160.5543 195.0101 5.853499 197.5826 8.320322 -2.572510      10.17306 
1 1 1 -2  1  25 o 121.0456 3.764418 718.4057       44.54765 749.3000       78.75789 703.8716       54.01936 123.4003 6.543756 119.7578 4.616934 3.642456       8.008547 
1 1 1 -2  1  26 o 260.6793 5.175157 3331.816       132.0493 3311.991       186.0041 3351.961       187.4967 259.5628 7.328393 261.1233 7.342997 -1.560455      10.37424 
1 1 1 -2  1  27 o 333.4951 7.419558 5465.773       242.1997 5442.000       417.7903 5477.807       297.2437 331.1428 12.91428 333.3891 9.117231 -2.246307      15.80831 
1 1 1 -2  1  28 o 172.1393 4.421900 1453.551       74.44499 1455.832       91.21082 1449.000       128.8445 172.1758 5.418876 171.4725 7.696151 0.7033234      9.412489 
1 1 1 -2  1  29 o 211.6698 4.400069 2196.624       91.16424 2203.311       129.2227 2189.998       128.6307 211.7129 6.242519 211.0732 6.232774 0.6396942      8.821367 
1 1 1 -2  1  30 o 138.7946 3.447909 943.8961       46.84192 948.1561       66.39901 939.6754       66.09103 138.9409 4.889933 138.3174 4.889258 0.6234741      6.914933 
1 1 1 -2  1  31 o 112.1578 3.292691 616.8769       36.10907 628.0278       51.20412 605.8456       50.92886 113.0585 4.636798 111.0348 4.696568 2.023666       6.599821 
1 1 1 -2  1  32 o 295.1801 5.790487 4280.833       167.3048 4318.522       237.8506 4243.923       235.3782 295.7861 8.223223 293.2226 8.209000 2.563477       11.61934 
1 1 1 -2  1  33 o 119.9211 3.400136 705.4278       39.87121 738.6909       57.24857 674.0956       55.56206 122.5848 4.780302 117.0852 4.858641 5.499550       6.815987 
1 1 1 -2  1  34 o 147.0648 3.617199 1060.533       52.06998 1045.019       73.16251 1076.457       74.12303 145.7545 5.136173 147.9347 5.126652 -2.180145      7.256916 
1 1 1 -2  1  35 o 169.4070 3.876032 1408.089       64.27246 1409.624       91.09580 1406.568       90.69550 169.1949 5.507874 169.0147 5.489484 0.1802368      7.776317 
1 1 1 -2  1  36 o 148.3600 3.657061 1080.096       53.10740 1141.533       76.88599 1024.039       73.44269 152.2340 5.167250 144.1691 5.212975 8.064835       7.339998 
1 1 1 -2  1  37 o 102.7729 4.027316 519.7037       40.43517 499.4235       48.47343 566.1000       73.31789 100.6086 4.937316 106.6969 7.059944 -6.088303      8.615097 
1 1 1 -2  1  38 o 139.3426 4.179351 955.8594       56.93873 931.5820       68.72517 1009.000       101.6780 137.3583 5.120540 142.3163 7.323680 -4.958054      8.936231 
1 1 1 -2  1  39 o 93.94225 4.082076 435.1770       37.44643 418.1000       65.97098 443.2945       45.48383 91.28107 7.448253 94.65537 4.926093 -3.374298      8.929886 
1 1 1 -2  1  40 o 30.51569 9.394981 47.37836       30.81034 0.000000       0.000000 47.37836       30.81034 ?        ?        30.51569 9.394981 ?              ?        
1 1 1 -2  1  41 o 105.3141 3.490001 546.4893       35.92678 577.4066       51.61334 517.4288       50.03947 107.9073 4.899359 102.1033 5.022288 5.804070       7.016202 
1 1 1 -2  1  42 o 98.34978 4.034209 478.2867       38.75388 485.8025       47.93241 464.1000       65.85406 98.86098 4.969274 95.87057 7.067317 2.990402       8.639482 
1 1 1 -2  1  43 o 93.90993 4.133007 436.8098       37.89823 409.8349       45.79887 495.4000       67.49744 90.64848 5.183250 98.94839 7.014503 -8.299919      8.721773 
1 1 1 -2  1  44 o 75.24467 3.925861 280.6300       28.81457 273.6048       40.54107 287.8018       40.96210 73.79684 5.655528 75.72796 5.564977 -1.931114      7.934353 
1 1 1 -2  1  45 o 70.24357 4.057940 245.0737       27.78215 225.1599       38.99564 265.6001       39.59092 66.72430 6.035922 72.66324 5.609810 -5.938934      8.240287 
1 1 1 -2  1  46 o 72.20489 4.015414 259.1356       28.26762 274.9193       40.26501 243.7964       39.69402 73.84877 5.612325 69.41291 5.898027 4.435860       8.141555 
1 1 1 -2  1  47 o 57.36564 4.687608 165.2293       26.09212 168.0470       36.93801 162.4233       36.86176 57.10912 6.737410 56.08439 6.857170 1.024731       9.613193 
1 1 1 -2  1  48 o 65.70896 4.258828 216.0755       27.24426 208.6173       38.13226 223.8525       38.93881 63.79055 6.184534 66.14492 6.082277 -2.354374      8.674247 
1 1 1 -2  1  49 o 80.70301 3.841182 324.9651       30.25606 335.1842       42.96678 314.9138       42.61248 81.19693 5.437479 78.61921 5.573483 2.577721       7.786520 
1 1 1 -2  1  50 o 47.97119 5.076170 117.4147       23.47425 120.1108       34.02017 114.9644       32.43195 47.39537 7.589186 46.45407 7.378986 0.9412994      10.58514 
1 1 1 -2  1  51 o 37.52298 6.624655 74.71992       23.44206 60.17834       33.43844 88.77383       32.87294 32.59991 9.736337 40.00798 8.646934 -7.408066      13.02174 
1 1 1 -2  1  52 o 58.60775 5.646469 177.0284       31.99155 177.2725       37.69737 176.4000       60.47911 58.03086 6.763223 54.33539 11.71654 3.695469       13.52844 
1 1 1 -2  1  53 o 70.71671 4.272235 252.3058       29.43426 267.9260       41.19567 236.0150       42.07078 71.92258 5.903589 67.09812 6.486444 4.824463       8.770765 
1 1 1 -2  1  54 o 37.36215 9.276746 80.25549       33.76968 0.000000       0.000000 80.25549       33.76968 ?        ?        37.36215 9.276746 ?              ?        
1 1 1 -2  1  55 o 28.74937 8.771511 46.93775       26.93368 -64.94000      45.86189 105.8385       33.27671 17.28389 8.418694 43.59470 8.096288 -26.31082      11.68008 
1 1 1 -2  1  56 o 36.71173 7.482001 74.66643       25.97285 76.56348       31.47776 70.62000       45.97282 36.36792 8.913144 33.77890 11.55865 2.589016       14.59611 
1 1 1 -2  1  57 o 60.28498 6.451628 193.0188       37.47887 182.9000       53.05261 203.1000       52.95377 55.71077 10.10069 59.39482 9.422630 -3.684055      13.81340 
1 1 1 -2  1  58 o 22.79111 8.876537 23.16959       28.50323 23.16959       28.50323 0.000000       0.000000 22.79111 8.876537 ?        ?        ?              ?        
1 1 1 -2  1  59 o 60.19133 4.136657 183.9471       24.22372 174.1136       34.07195 193.9979       34.44616 57.31721 6.170104 60.74564 5.866103 -3.428425      8.513597 
1 1 1 -2  1  60 o 31.68520 6.947324 55.56721       20.95168 76.82973       29.87060 34.97580       29.39541 36.45697 8.523942 25.44904 9.197387 11.00794       12.53992 
1 1 1 -2  1  61 o 69.99346 3.829403 247.6343       26.13588 262.5581       37.06285 232.8722       36.86140 71.00813 5.372277 66.59608 5.709847 4.412056       7.839880 
1 1 1 -2  1  62 o 33.53570 6.710275 62.11338       21.25734 66.30680       30.45852 58.13122       29.68138 33.25573 9.096208 31.13415 9.141414 2.121584       12.89598 
1 1 1 -2  1  63 o 40.33116 6.201567 88.29472       23.69920 51.90278       29.25277 157.8000       40.42717 29.29569 9.176532 52.46881 8.134835 -23.17312      12.26313 
1 1 1 -2  2  1  o 320.2894 6.113765 5025.758       191.6715 4993.778       270.0607 5058.218       272.0794 318.9896 8.657258 321.0417 8.666134 -2.052124      12.24949 
1 1 1 -2  2  2  o 221.6287 5.084931 2405.652       110.3106 2224.000       181.7590 2511.576       138.7950 212.7724 8.745831 226.3276 6.271175 -13.55519      10.76184 
1 1 1 -2  2  3  o 330.5781 7.275211 5356.079       235.4106 5270.405       285.5115 5538.000       416.0450 327.6861 8.909690 335.4177 12.69500 -7.731598      15.50953 
1 1 1 -2  2  4  o 171.9825 3.594778 1448.094       60.51493 1465.008       86.03094 1431.528       85.13811 172.8789 5.089551 170.8901 5.095495 1.988846       7.201916 
1 1 1 -2  2  5  o 288.0000 5.550395 4062.771       156.4669 4059.045       221.1535 4066.506       221.4020 287.6406 7.862213 287.9049 7.863812 -0.2643127     11.11998 
1 1 1 -2  2  6  o 262.8063 5.118760 3382.781       131.6760 3345.618       184.9047 3421.019       187.5597 261.1607 7.240243 264.0877 7.262695 -2.926941      10.25514 
1 1 1 -2  2  7  o 377.2838 7.132112 6977.761       263.3859 7089.506       376.4843 6870.642       368.6084 379.8459 10.13494 373.9406 10.07982 5.905273       14.29405 
1 1 1 -2  2  8  o 163.7950 3.500982 1313.639       56.13023 1348.636       80.58425 1280.658       78.22842 165.8500 4.969570 161.6133 4.951009 4.236649       7.014921 
1 1 1 -2  2  9  o 169.0394 3.589028 1399.286       59.38421 1392.646       83.77009 1405.994       84.19543 168.5118 5.084516 169.3180 5.085947 -0.8062134     7.191603 
1 1 1 -2  2  10 f 308.6400 5.930378 4670.750       179.1599 4550.425       248.9054 4800.114       258.0844 304.2458 8.365965 312.4745 8.445774 -8.228699      11.88783 
1 1 1 -2  2  11 o 93.22777 2.694001 425.8875       24.55803 433.8694       34.79137 417.9614       34.66955 94.04299 3.787287 92.29647 3.846003 1.746521       5.397710 
1 1 1 -2  2  12 o 259.6851 5.091863 3304.296       129.4285 3306.368       183.1487 3302.228       182.9306 259.5137 7.217041 259.3515 7.212955 0.1621704      10.20355 
1 1 1 -2  2  13 o 269.5398 5.264090 3559.117       138.8841 3586.785       197.3695 3531.979       195.4677 270.3510 7.465553 268.2774 7.450846 2.073578       10.54749 
1 1 1 -2  2  14 o 637.1044 11.83984 19940.86       738.3503 19908.79       1043.076 19973.07       1045.298 635.1609 16.79217 636.1835 16.80087 -1.022644      23.75387 
1 1 1 -2  2  15 o 437.1721 8.215654 9368.244       351.5611 9268.464       493.5698 9471.000       500.8757 434.3457 11.61976 439.0626 11.66493 -4.716919      16.46479 
1 1 1 -2  2  16 o 389.5858 8.510742 7440.263       324.5464 7414.709       396.6790 7492.000       564.4360 388.6182 10.43766 390.0193 14.81195 -1.401123      18.12012 
1 1 1 -2  2  17 o 344.4600 7.594199 5814.828       256.0513 5833.002       314.3556 5779.000       441.3727 344.7553 9.324015 342.6844 13.18304 2.070953       16.14713 
1 1 1 -2  2  18 o 171.8266 3.751464 1445.463       63.09537 1459.553       89.57996 1431.591       88.88476 172.5508 5.310128 170.8877 5.320343 1.663040       7.516881 
1 1 1 -2  2  19 o 454.1003 8.532748 10111.43       379.2686 10200.13       539.4425 10024.71       533.3431 455.4866 12.11013 451.5558 12.07756 3.930847       17.10329 
1 1 1 -2  2  20 o 323.9449 8.858394 5151.434       280.6238 0.000000       0.000000 5151.434       280.6238 ?        ?        323.9449 8.858394 ?              ?        
1 1 1 -2  2  21 o 398.8335 10.71698 7820.733       418.0001 0.000000       0.000000 7820.733       418.0001 ?        ?        398.8335 10.71698 ?              ?        
1 1 1 -2  2  22 o 265.5408 6.055149 3455.988       157.3846 3291.000       264.2547 3546.682       195.9235 258.5422 10.46365 268.7990 7.453701 -10.25681      12.84701 
1 1 1 -2  2  23 o 255.3883 5.865893 3197.186       146.6362 3198.781       179.6412 3194.000       253.8423 255.2490 7.197299 254.6507 10.20454 0.5982971      12.48734 
1 1 1 -2  2  24 o 243.9709 5.654666 2918.108       135.0365 2813.000       228.8545 2974.249       167.2561 238.9259 9.806499 246.1010 6.950203 -7.175095      12.01968 
1 1 1 -2  2  25 o 290.0970 6.548849 4129.714       185.9579 4074.169       225.7367 4247.000       328.0220 287.8380 8.019944 293.1681 11.45292 -5.330048      13.98174 
1 1 1 -2  2  26 o 407.3079 8.932146 8163.933       356.1106 8315.850       441.7551 7882.000       601.7995 410.3558 11.00797 397.7551 15.48676 12.60074       19.00040 
1 1 1 -2  2  27 o 124.7362 3.275797 762.6322       39.96132 752.6945       56.33067 772.7002       56.69881 123.8248 4.655916 125.4644 4.624779 -1.639572      6.562479 
1 1 1 -2  2  28 o 143.3984 3.984069 1008.505       55.86712 1074.000       99.02477 977.9250       67.66387 147.6865 6.868914 141.1286 4.905650 6.557938       8.440816 
1 1 1 -2  2  29 o 154.7658 4.179425 1174.989       63.25573 1217.129       79.05557 1100.000       105.4597 157.4264 5.137249 149.3901 7.233543 8.036362       8.872174 
1 1 1 -2  2  30 o 106.8546 3.256277 559.9056       34.01838 579.5591       48.57834 540.9934       47.65351 108.6131 4.579624 104.9241 4.651515 3.689056       6.527598 
1 1 1 -2  2  31 o 211.2987 4.416962 2189.576       91.35380 2174.599       128.5319 2204.866       129.8660 210.2671 6.251955 211.7230 6.273363 -1.455902      8.856750 
1 1 1 -2  2  32 o 216.3740 4.508509 2296.750       95.48700 2300.956       135.0139 2292.540       135.0641 216.2222 6.386282 215.8234 6.400522 0.3988190      9.041641 
1 1 1 -2  2  33 o 232.6531 4.768758 2656.781       108.5976 2586.033       151.0497 2732.477       156.2423 229.1052 6.742974 235.4986 6.785115 -6.393311      9.565849 
1 1 1 -2  2  34 o 163.2342 3.790743 1306.831       60.56780 1297.482       85.34370 1316.318       85.97136 162.3877 5.376645 163.5634 5.377151 -1.175659      7.604082 
1 1 1 -2  2  35 o 162.5472 3.791670 1296.258       60.32761 1308.422       85.66731 1284.292       84.96923 163.0209 5.376011 161.5079 5.382310 1.512955       7.607283 
1 1 1 -2  2  36 o 162.1243 4.423031 1292.411       70.12427 1312.615       86.24612 1253.000       120.4545 163.2005 5.406444 158.8596 7.770030 4.340881       9.465886 
1 1 1 -2  2  37 o 115.8169 3.455212 658.9341       39.12614 633.3516       54.50424 686.1335       56.20017 113.3250 4.925347 117.9695 4.877525 -4.644516      6.931760 
1 1 1 -2  2  38 o 200.2039 4.324791 1972.276       84.75080 1931.823       118.4896 2014.651       121.2702 197.5096 6.136390 201.6981 6.149698 -4.188477      8.687581 
1 1 1 -2  2  39 o 67.05314 4.483631 222.5413       29.25852 204.1000       48.56768 233.0466       36.65684 63.41349 8.002402 68.43118 5.519404 -5.017685      9.721228 
1 1 1 -2  2  40 o 72.50241 3.858766 259.5274       27.28601 205.6050       37.76881 318.3972       39.46346 64.06127 6.096674 80.09086 5.059778 -16.02959      7.922802 
1 1 1 -2  2  41 o 119.5371 4.056343 705.5555       47.39296 748.2000       85.31506 686.5228       56.99605 121.9721 7.177663 117.6547 4.960262 4.317337       8.724853 
1 1 1 -2  2  42 o 63.58556 4.171755 200.5564       25.82130 168.1596       36.12986 234.3794       36.91651 57.62188 6.520219 68.42292 5.559917 -10.80104      8.568893 
1 1 1 -2  2  43 f 90.56302 4.188680 406.4579       37.03024 395.9901       45.31439 427.5000       64.24670 89.08083 5.219789 91.78635 7.208806 -2.705513      8.900172 
1 1 1 -2  2  44 o 51.14088 5.869087 132.4902       28.84774 145.9598       35.32000 105.5000       49.99725 53.37233 6.923824 43.75389 11.51849 9.618435       13.43931 
1 1 1 -2  2  45 o 32.15962 7.670625 54.72260       23.80646 72.65594       33.98373 37.44176       33.35976 36.70728 9.413915 27.95563 9.830656 8.751656       13.61116 
1 1 1 -2  2  46 o 50.61449 5.136006 129.1925       25.09333 118.8251       35.22808 139.8708       35.75237 47.60830 7.831710 51.97486 7.222452 -4.366562      10.65361 
1 1 1 -2  2  47 o 78.51224 3.899306 306.5256       29.87238 271.8105       41.22654 344.8998       43.34486 73.21655 5.799916 82.71590 5.382794 -9.499352      7.912869 
1 1 1 -2  2  48 o 16.36444 7.209125 -4.179519      22.45693 -7.329936      31.77816 -1.036731      31.73966 19.04801 8.473904 19.94307 8.683070 -0.8950596     12.13271 
1 1 1 -2  2  49 f 49.29967 5.309848 124.1586       25.21956 105.8411       35.58511 142.6432       35.74713 44.04526 8.562450 52.01507 7.215139 -7.969810      11.19704 
1 1 1 -2  2  50 o 39.37802 6.225248 81.21841       23.19811 113.1163       33.34483 51.29828       32.29455 45.90789 7.692416 30.47135 9.654943 15.43654       12.34468 
1 1 1 -2  2  51 o 58.78014 5.303821 176.7313       30.18793 185.3281       36.75150 158.9000       52.92945 59.63514 6.395834 52.47107 10.66941 7.164074       12.43957 
1 1 1 -2  2  52 o 78.59184 3.997401 309.8649       30.65015 298.7153       42.90473 321.4852       43.80089 76.14540 5.800098 79.07644 5.697056 -2.931038      8.130042 
1 1 1 -2  2  53 f 35.48130 8.069036 69.86359       27.38848 126.5000       45.61514 37.93494       34.24927 46.60041 10.27693 27.13939 9.910266 19.46102       14.27686 
1 1 1 -2  2  54 o 22.23225 8.470504 21.86130       25.55267 14.68151       31.49900 35.68000       43.69929 21.99503 9.062090 27.66170 10.92564 -5.666664      14.19475 
1 1 1 -2  2  55 o 24.73767 7.726267 33.48164       20.75276 22.23658       23.33224 76.07000       45.40683 21.80670 8.140752 35.07879 11.47938 -13.27209      14.07295 
1 1 1 -2  2  56 o 32.56141 9.544661 62.53626       32.38070 52.61000       44.79441 73.40000       46.86197 30.30354 11.28622 34.29591 11.67134 -3.992371      16.23573 
1 1 1 -2  2  57 o 28.86541 8.609258 47.60080       26.15861 37.29847       31.76243 69.32000       46.11772 26.37464 9.556572 33.50793 11.57276 -7.133291      15.00856 
1 1 1 -2  2  58 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  59 o 44.93093 6.288380 107.8831       26.89979 102.3942       31.57832 122.4000       51.35544 42.81379 7.823475 43.63663 11.75960 -0.8228416     14.12427 
1 1 1 -2  2  60 o 17.23878 7.173363 7.004151       20.00943 5.128067       28.32316 8.873480       28.27212 19.25168 8.292127 19.87645 8.414182 -0.6247635     11.81346 
1 1 1 -2  2  61 o 51.36864 4.662246 135.8665       23.18719 144.6907       33.18913 127.4527       32.40810 51.71557 6.714832 48.25688 7.070723 3.458691       9.751107 
1 1 1 -2  2  62 o 31.62021 7.318149 56.49162       22.20153 58.06953       28.02005 53.83000       36.39151 31.28145 8.789338 29.72556 10.27958 1.555895       13.52488 
1 1 1 -2  2  63 o 29.56445 7.066805 49.45127       20.17181 55.98878       27.92628 42.31910       29.16877 30.52759 8.839852 26.82586 9.206103 3.701731       12.76305 
1 1 1 -2  3  1  o 272.6556 5.282359 3641.109       140.9771 3701.256       201.5170 3583.456       197.2935 274.6909 7.501847 270.2840 7.464526 4.406860       10.58286 
1 1 1 -2  3  2  o 608.0064 13.08457 18176.22       778.7065 20220.00       1454.113 17354.43       922.0671 637.6675 23.33623 593.2435 15.89332 44.42395       28.23433 
1 1 1 -2  3  3  o 609.5464 11.34280 18247.38       676.7576 18147.62       952.9536 18348.89       961.2598 606.6119 16.06338 609.9540 16.11455 -3.342163      22.75326 
1 1 1 -2  3  4  o 378.0162 10.12955 7017.936       374.4683 7000.000       528.6378 7036.000       530.5236 376.8729 14.35661 377.8395 14.37088 -0.9666138     20.31341 
1 1 1 -2  3  5  f 318.4818 6.095953 4969.358       190.0345 5115.130       274.5187 4835.229       263.3291 322.8281 8.695412 313.8767 8.579085 8.951355       12.21519 
1 1 1 -2  3  6  o 81.05598 2.418084 321.8922       19.16359 340.9110       27.52026 303.9887       26.70112 83.37778 3.379066 78.72057 3.473808 4.657219       4.846177 
1 1 1 -2  3  7  o 180.9160 3.758673 1602.668       66.56068 1608.844       94.34414 1596.547       93.91932 181.1414 5.326759 180.4474 5.323205 0.6940002      7.530662 
1 1 1 -2  3  8  o 91.68242 2.573559 411.8209       23.07260 428.5001       33.05240 395.9687       32.22260 93.47504 3.619282 89.84840 3.671638 3.626648       5.155592 
1 1 1 -2  3  9  o 301.0798 5.795671 4444.031       170.8015 4278.786       235.3426 4627.936       248.2755 295.0724 8.156098 306.8661 8.273229 -11.79370      11.61758 
1 1 1 -2  3  10 o 202.2241 4.125386 2003.308       81.65894 1913.670       112.2669 2104.008       118.9927 197.4720 5.814513 207.0619 5.876967 -9.589920      8.267242 
1 1 1 -2  3  11 o 425.4985 8.011226 8889.831       333.6593 8655.436       463.0110 9143.055       481.2481 419.0258 11.29902 430.6405 11.42699 -11.61469      16.06997 
1 1 1 -2  3  12 o 487.0367 9.119357 11649.39       434.7426 11356.26       603.7925 11964.95       626.4722 479.8810 12.86589 492.5422 13.00566 -12.66119      18.29422 
1 1 1 -2  3  13 o 249.5659 4.925900 3050.587       120.3309 2950.535       166.4977 3159.990       174.1041 245.2477 6.942795 253.8041 7.014890 -8.556381      9.869705 
1 1 1 -2  3  14 o 371.1803 7.037968 6751.398       255.7045 6708.006       359.9749 6795.593       363.2896 369.6192 9.958810 372.0229 9.985502 -2.403717      14.10277 
1 1 1 -2  3  15 o 162.6797 4.120203 1296.547       65.55544 1316.579       81.18019 1259.000       111.1436 163.8898 5.066568 160.1402 7.108227 3.749588       8.729089 
1 1 1 -2  3  16 o 248.5727 5.682690 3026.217       138.2654 3036.520       169.8803 3006.000       237.9759 248.8516 6.981127 247.3656 9.848191 1.486084       12.07158 
1 1 1 -2  3  17 o 277.7043 5.432581 3776.973       147.6709 3740.009       207.4845 3814.918       210.2188 276.1394 7.683752 278.8914 7.708094 -2.751923      10.88369 
1 1 1 -2  3  18 o 243.9776 5.625855 2915.535       134.3522 2776.000       224.1109 2993.815       167.8600 237.6916 9.652667 247.0830 6.947516 -9.391357      11.89294 
1 1 1 -2  3  19 o 464.0530 10.08127 10568.09       457.9196 9905.000       755.2408 10953.57       575.8410 447.7570 17.26439 471.9364 12.47654 -24.17932      21.30078 
1 1 1 -2  3  20 o 162.6420 4.218357 1296.174       67.09892 1397.000       120.1619 1250.490       80.88408 168.6601 7.295860 159.6984 5.181213 8.961716       8.948438 
1 1 1 -2  3  21 o 110.8129 3.176388 601.6810       34.41768 607.3611       48.88593 596.0983       48.46469 111.2700 4.497753 110.2316 4.501194 1.038414       6.363217 
1 1 1 -2  3  22 o 359.4446 9.740216 6352.469       342.3784 6213.000       476.7536 6501.000       491.9984 354.6613 13.75937 362.7707 13.88121 -8.109406      19.54503 
1 1 1 -2  3  23 o 216.5759 5.144657 2298.491       109.0618 2144.000       181.6413 2385.584       136.3815 208.7207 8.911352 220.4799 6.326005 -11.75916      10.92843 
1 1 1 -2  3  24 o 417.6027 7.899177 8564.546       322.8876 8534.852       455.4462 8594.552       457.8271 416.0075 11.19501 417.4554 11.21447 -1.447968      15.84590 
1 1 1 -2  3  25 o 287.4036 5.623176 4050.727       158.1904 3992.357       221.6538 4111.320       225.8347 284.9295 7.955304 289.1412 7.987130 -4.211700      11.27303 
1 1 1 -2  3  26 o 130.5494 3.850791 835.7049       49.15371 857.6890       60.81876 794.3000       83.46577 132.1954 4.707699 127.0171 6.737463 5.178383       8.219235 
1 1 1 -2  3  27 o 252.7043 5.832945 3133.637       144.2802 3172.699       178.0770 3059.000       246.1546 254.0036 7.169627 248.8154 10.12822 5.188126       12.40904 
1 1 1 -2  3  28 o 84.53301 3.226368 350.5456       26.64701 365.4998       38.19265 336.3615       37.19624 86.22358 4.541313 82.69910 4.613355 3.524475       6.473528 
1 1 1 -2  3  29 o 166.0856 4.315509 1353.255       70.09745 1265.000       116.3297 1403.568       87.83461 160.1911 7.439326 169.0438 5.314963 -8.852646      9.142888 
1 1 1 -2  3  30 o 137.6523 3.992321 929.5897       53.73488 919.7292       65.54527 949.8000       93.83858 136.8358 4.901594 138.8089 6.928400 -1.973022      8.486952 
1 1 1 -2  3  31 o 211.1837 4.420084 2187.275       91.36863 2181.128       128.9331 2193.477       129.4982 210.5739 6.262340 211.1680 6.272073 -0.5941162     8.863171 
1 1 1 -2  3  32 o 285.4490 5.631372 4002.770       157.3436 4008.124       222.7339 3997.437       222.3015 284.9904 7.992432 284.6114 7.987550 0.3790283      11.29955 
1 1 1 -2  3  33 o 186.0860 4.078754 1698.405       74.29294 1715.107       105.4862 1681.967       104.6509 186.7079 5.778964 184.8918 5.789683 1.816177       8.180272 
1 1 1 -2  3  34 o 63.01163 3.978925 195.5514       24.41571 175.7314       33.85950 217.0204       35.23991 59.48098 5.893008 66.21758 5.486145 -6.736599      8.051418 
1 1 1 -2  3  35 o 119.3329 3.983938 699.6262       46.46967 711.8745       56.78741 674.8000       80.84799 120.2658 4.833808 116.7020 7.111340 3.563858       8.598655 
1 1 1 -2  3  36 o 219.8483 4.601197 2375.845       99.01481 2311.203       137.7614 2444.924       142.4105 216.2688 6.515129 222.4318 6.548047 -6.163071      9.237089 
1 1 1 -2  3  37 o 171.4814 3.925329 1444.595       65.88695 1442.223       93.51476 1446.933       92.84528 170.9197 5.597163 171.2119 5.547449 -0.2922363     7.880509 
1 1 1 -2  3  38 o 66.77242 4.447567 220.4374       28.90300 261.7000       49.23899 198.7457       35.70074 72.26830 7.050283 63.14618 5.842177 9.122120       9.156283 
1 1 1 -2  3  39 o 170.2057 3.918465 1425.496       65.28244 1426.024       92.27731 1424.967       92.36938 169.6866 5.563251 169.6208 5.570988 0.6573486E-01  7.873098 
1 1 1 -2  3  40 o 85.55105 3.587028 360.7066       29.97103 365.5873       43.11217 356.1416       41.69425 85.81380 5.156375 84.71845 5.050891 1.095352       7.218012 
1 1 1 -2  3  41 o 126.9035 3.548965 793.5635       44.04078 787.2563       62.37548 799.8334       62.19105 125.9543 5.069710 126.9771 5.013613 -1.022827      7.130096 
1 1 1 -2  3  42 o 58.15543 5.125058 169.1195       28.87576 218.6000       53.23515 148.4926       34.37149 65.05999 8.567474 54.06664 6.633600 10.99335       10.83542 
1 1 1 -2  3  43 o 93.89173 3.615011 435.4982       33.16127 411.6873       46.97037 459.1611       46.82419 90.79625 5.308212 96.01051 4.999703 -5.214264      7.292060 
1 1 1 -2  3  44 o 46.46080 6.514056 110.5352       28.81128 125.8101       35.59191 81.50000       49.07103 49.24638 7.630283 38.70540 11.84558 10.54098       14.09039 
1 1 1 -2  3  45 o 63.63832 5.134550 203.1947       31.71227 210.2706       38.86565 189.1000       54.85338 64.37240 6.246659 59.53889 9.749446 4.833508       11.57897 
1 1 1 -2  3  46 o 77.91103 3.961142 301.5064       30.10912 281.5280       42.01790 322.5924       43.16678 74.65389 5.795467 80.04400 5.543783 -5.390106      8.020035 
1 1 1 -2  3  47 o 34.99200 7.229663 64.81652       23.94283 47.34697       33.67327 82.67961       34.05044 30.04337 9.888488 38.96090 9.094939 -8.917538      13.43503 
1 1 1 -2  3  48 o 39.20186 6.448053 80.23154       23.88289 78.69262       34.01895 81.72720       33.53721 37.75018 9.274394 38.56727 9.041929 -0.8170967     12.95264 
1 1 1 -2  3  49 o 19.23903 7.760935 10.75593       22.52093 -3.450075      31.81808 25.01800       31.88081 19.49236 8.584336 24.45938 9.425415 -4.967020      12.74870 
1 1 1 -2  3  50 o 36.76764 7.716576 73.36154       26.88461 57.13532       32.71694 107.1000       47.17659 31.93498 9.651907 42.72601 11.16042 -10.79104      14.75515 
1 1 1 -2  3  51 o 71.60736 4.047114 257.2686       28.25126 292.3950       41.28534 226.3361       38.74243 75.51231 5.626055 66.15234 6.050138 9.359970       8.261760 
1 1 1 -2  3  52 o 38.51715 7.634727 80.78496       27.76667 111.9000       46.43472 63.46659       34.64265 43.49350 10.92351 33.26039 9.904452 10.23311       14.74521 
1 1 1 -2  3  53 o 48.58764 6.156499 123.7420       28.62330 98.60148       35.03573 174.2000       49.63518 41.87720 8.826019 55.52018 9.473043 -13.64298      12.94748 
1 1 1 -2  3  54 o 37.70508 6.077110 75.18710       21.66638 68.06342       24.50522 100.7000       46.37526 35.26716 7.337944 40.61945 11.26894 -5.352291      13.44747 
1 1 1 -2  3  55 o 47.91162 7.840714 126.6227       35.50005 123.7000       50.85727 129.4000       49.57653 44.48032 11.57228 45.90538 11.14632 -1.425053      16.06730 
1 1 1 -2  3  56 o 36.01122 6.402013 69.82181       21.73938 85.68504       24.61166 13.51000       46.37082 39.91068 6.525360 24.42683 10.56596 15.48385       12.41853 
1 1 1 -2  3  57 o 27.75602 8.306243 43.63277       24.31826 38.30333       28.57523 57.63000       46.30954 26.36711 9.109426 31.24666 11.50506 -4.879547      14.67474 
1 1 1 -2  3  58 o 30.98330 7.379562 53.63433       22.05876 36.89407       24.62596 121.6000       49.62002 25.74763 8.455440 43.84446 11.44246 -18.09682      14.22759 
1 1 1 -2  3  59 o 58.20204 7.108362 183.8392       39.65687 183.7000       54.16053 184.0000       58.22652 55.31135 10.38502 54.42980 11.29914 0.8815460      15.34664 
1 1 1 -2  3  60 o 27.15480 7.614778 41.63757       21.05342 32.20516       30.21791 50.53543       29.34917 24.88199 9.269232 29.35157 9.191290 -4.469587      13.05368 
1 1 1 -2  3  61 o 32.04993 7.419464 57.83430       22.81580 47.87792       28.64260 75.12000       37.74029 28.59493 9.096524 34.79947 10.33163 -6.204535      13.76552 
1 1 1 -2  3  62 o 29.80300 6.962945 49.76270       19.94410 34.45230       27.28738 67.32146       29.22237 24.94430 8.879814 33.68450 8.776240 -8.740204      12.48493 
1 1 1 -2  3  63 o 65.40194 4.696660 221.2605       29.86652 218.8458       35.25391 227.4000       56.21392 64.27272 5.661503 61.39939 9.673241 2.873325       11.20822 
1 1 1 -2  4  1  o 662.5067 12.31681 21569.42       798.7202 21161.13       1114.697 22000.25       1145.035 654.6443 17.41130 667.4625 17.54132 -12.81818      24.71541 
1 1 1 -2  4  2  o 432.5393 9.397865 9178.360       397.8882 10070.00       733.4714 8806.560       473.6349 451.6184 16.62060 423.2917 11.44185 28.32672       20.17822 
1 1 1 -2  4  3  o 638.2906 11.88445 20016.83       742.5125 19712.69       1042.069 20330.49       1058.260 631.9680 16.86101 641.8016 16.86016 -9.833618      23.84447 
1 1 1 -2  4  4  o 370.9935 7.021303 6745.709       254.9707 7000.387       369.4503 6514.094       352.3249 377.5234 10.00666 364.1803 9.892889 13.34314       14.07133 
1 1 1 -2  4  5  o 534.4924 11.53494 14039.45       603.4802 13490.00       1013.522 14341.25       751.1503 521.4503 19.89350 539.4418 14.23822 -17.99158      24.46382 
1 1 1 -2  4  6  o 367.0020 6.957465 6602.948       249.9342 6654.305       355.3675 6552.680       351.5836 367.9844 9.874947 365.1661 9.845286 2.818298       13.94433 
1 1 1 -2  4  7  o 205.8529 4.165946 2075.346       83.94151 2148.993       121.2828 2007.630       116.2966 209.3161 5.925535 202.3124 5.878942 7.003754       8.347091 
1 1 1 -2  4  8  o 179.4941 3.746620 1577.858       65.82577 1587.629       93.37419 1568.203       92.81174 179.9103 5.308108 178.8052 5.308816 1.105057       7.507299 
1 1 1 -2  4  9  o 140.5756 3.171605 967.6744       43.64108 935.2083       60.61771 1002.609       62.88005 138.0874 4.490733 142.9814 4.498502 -4.893997      6.356352 
1 1 1 -2  4  10 o 75.13026 2.565704 276.6705       18.84039 291.6734       26.82273 262.0602       26.46947 77.09067 3.564281 73.05417 3.713823 4.036499       5.147483 
1 1 1 -2  4  11 o 333.2198 6.365640 5444.407       207.6247 5214.125       284.9618 5704.993       303.1313 325.6782 8.947534 340.6490 9.099269 -14.97076      12.76147 
1 1 1 -2  4  12 o 177.3641 3.749898 1540.392       65.10155 1521.363       91.34884 1560.031       92.80338 176.1402 5.304366 178.3655 5.321481 -2.225327      7.513618 
1 1 1 -2  4  13 o 293.0158 5.666191 4205.875       162.5131 4170.060       228.4368 4242.578       231.2455 291.5225 8.013086 294.0456 8.041933 -2.523071      11.35263 
1 1 1 -2  4  14 o 269.4137 6.075389 3555.492       160.2139 3614.606       198.4977 3445.000       271.3784 271.4799 7.476963 264.7565 10.49261 6.723389       12.88409 
1 1 1 -2  4  15 o 168.5032 5.183992 1391.761       85.40077 1447.000       124.7219 1343.000       117.1804 171.6804 7.439572 165.3969 7.255704 6.283447       10.39194 
1 1 1 -2  4  16 o 190.8002 4.001297 1782.352       74.72844 1794.905       106.0799 1769.986       105.2885 191.3517 5.669877 190.0178 5.667170 1.333939       8.016503 
1 1 1 -2  4  17 o 408.0400 7.710016 8160.237       307.9387 7737.173       419.7329 8653.389       453.1686 396.9017 10.81406 419.7301 11.03979 -22.82840      15.45383 
1 1 1 -2  4  18 o 243.1214 5.595192 2895.138       133.1510 2935.000       231.9513 2875.547       162.6128 244.4013 9.715235 242.1514 6.867526 2.249863       11.89742 
1 1 1 -2  4  19 o 268.0639 5.283837 3519.561       138.6417 3441.380       193.0405 3602.847       199.2448 264.8644 7.453334 271.0061 7.518332 -6.141724      10.58667 
1 1 1 -2  4  20 o 246.5973 4.925918 2978.385       118.8999 2869.109       164.1409 3099.030       172.4677 241.8421 6.941100 251.3470 7.017026 -9.504898      9.870031 
1 1 1 -2  4  21 o 261.8759 5.984824 3360.771       153.4098 3285.000       261.9423 3400.328       189.2651 258.3602 10.37907 263.2224 7.353046 -4.862122      12.71977 
1 1 1 -2  4  22 o 239.0383 4.807601 2799.243       112.4869 2741.915       157.0881 2859.574       161.1507 236.3641 6.796836 241.3833 6.827399 -5.019165      9.633814 
1 1 1 -2  4  23 o 165.5410 3.702283 1342.094       59.99036 1346.378       84.89610 1337.821       84.78238 165.6659 5.241981 165.1374 5.251781 0.5284882      7.420213 
1 1 1 -2  4  24 o 73.69415 3.852642 266.7443       27.69408 308.7000       50.76313 248.9655       33.04487 79.04560 6.621713 71.11717 4.774713 7.928429       8.163637 
1 1 1 -2  4  25 o 281.7266 6.390718 3894.846       176.2316 3896.000       305.7635 3894.271       215.6551 280.7901 11.14709 281.4095 7.836784 -0.6193542     13.62618 
1 1 1 -2  4  26 o 151.8308 3.540371 1129.237       52.61563 1131.793       74.37618 1126.677       74.44336 151.8521 5.010742 151.5068 5.026775 0.3453064      7.097605 
1 1 1 -2  4  27 o 191.9132 4.728402 1805.771       88.82301 1803.684       108.5481 1810.000       154.5242 191.6297 5.793649 191.6124 8.258243 0.1736450E-01  10.08786 
1 1 1 -2  4  28 o 168.7146 4.374195 1396.360       72.17562 1361.192       86.99990 1474.000       129.2660 166.4784 5.345867 172.9352 7.655481 -6.456772      9.337274 
1 1 1 -2  4  29 o 120.3525 3.295871 710.1564       38.79026 696.9067       54.36253 723.9001       55.36666 119.1169 4.671572 121.4056 4.667809 -2.288765      6.603940 
1 1 1 -2  4  30 o 234.6454 4.786437 2700.840       109.9336 2663.702       154.4319 2738.993       156.5286 232.6590 6.788527 235.9276 6.785159 -3.268570      9.598046 
1 1 1 -2  4  31 o 157.9348 4.276265 1224.086       66.04636 1243.478       81.50520 1187.000       112.7129 159.0740 5.241714 155.0926 7.446414 3.981445       9.106297 
1 1 1 -2  4  32 o 232.8584 4.772947 2661.103       108.7889 2733.364       156.3430 2593.272       151.4742 235.5704 6.787415 229.4570 6.751553 6.113434       9.573529 
1 1 1 -2  4  33 o 231.7415 4.761636 2636.273       108.0105 2578.018       150.5488 2698.064       155.0506 228.7267 6.731736 233.9852 6.776987 -5.258453      9.552163 
1 1 1 -2  4  34 o 152.7952 4.251105 1146.649       63.51780 1138.289       77.32137 1164.000       111.3878 152.1033 5.201085 153.3934 7.440844 -1.290009      9.078405 
1 1 1 -2  4  35 o 122.9246 3.444067 741.6669       41.39886 770.9301       59.15734 713.5814       57.95484 125.1544 4.838101 120.3893 4.928500 4.765137       6.906326 
1 1 1 -2  4  36 o 131.9970 4.006993 856.4153       51.71132 805.9000       85.65393 885.3868       64.86670 127.4983 6.888945 134.0617 4.951738 -6.563446      8.483942 
1 1 1 -2  4  37 o 119.1573 3.921733 698.3458       45.67859 707.2000       77.93851 693.7131       56.37596 119.3499 6.698386 118.6028 4.866496 0.7471313      8.279563 
1 1 1 -2  4  38 o 79.88308 3.598848 314.1746       28.06776 324.6881       39.82939 303.8030       39.55961 80.98199 5.049817 78.29805 5.191035 2.683945       7.242065 
1 1 1 -2  4  39 o 63.19684 4.055930 197.4198       24.95705 195.6281       35.53171 199.1645       35.06217 62.57060 5.870038 63.16787 5.733075 -0.5972672     8.205212 
1 1 1 -2  4  40 o 72.41452 3.822350 258.9160       26.99737 233.6567       37.89062 284.9621       38.47621 68.40211 5.711289 75.70019 5.224699 -7.298080      7.740563 
1 1 1 -2  4  41 o 103.3034 3.458241 525.9514       34.91912 529.0440       50.05260 523.0189       48.73974 103.2260 4.968308 102.6656 4.863948 0.5603867      6.952847 
1 1 1 -2  4  42 f 57.12441 4.486244 162.4384       24.88367 149.2902       35.77016 174.7680       34.63875 54.11942 6.909843 58.86037 6.100544 -4.740948      9.217514 
1 1 1 -2  4  43 f 60.54333 5.118347 183.5160       30.04818 103.7000       51.62965 224.3989       36.95088 43.43757 11.82716 66.81902 5.704104 -23.38145      13.13082 
1 1 1 -2  4  44 o 99.92101 4.179567 495.2157       40.78818 459.9000       70.57449 512.9283       49.98088 94.80626 7.670543 101.3876 5.052230 -6.581360      9.184893 
1 1 1 -2  4  45 o 26.86376 8.173592 37.45714       23.40840 56.58276       33.35181 18.88853       32.86256 32.56453 9.723228 23.92619 9.466927 8.638346       13.57070 
1 1 1 -2  4  46 o 108.0623 4.230122 580.5369       44.65743 570.9993       54.51202 600.0000       77.87136 106.7309 5.233861 108.1595 7.399990 -1.428566      9.063838 
1 1 1 -2  4  47 o 46.38227 5.499126 109.5929       24.48095 161.1423       36.03555 65.41030       33.36147 55.87754 6.723445 34.54862 9.547660 21.32892       11.67744 
1 1 1 -2  4  48 o 40.56543 6.178339 85.43353       23.75844 114.5316       34.37979 58.83493       32.87006 46.36645 7.855343 32.66880 9.627398 13.69765       12.42551 
1 1 1 -2  4  49 o 72.62394 4.609710 265.6797       32.59961 275.6332       40.10680 246.3000       55.96356 73.47758 5.619067 67.56909 8.660437 5.908493       10.32362 
1 1 1 -2  4  50 o 44.26416 5.501705 100.9450       23.32426 93.14835       34.02831 107.8541       32.03303 41.02787 8.741076 44.83909 7.567607 -3.811218      11.56179 
1 1 1 -2  4  51 o 79.89890 4.315100 321.2529       33.62199 242.1000       56.09233 365.6385       42.00405 66.47619 8.839342 84.81111 5.083112 -18.33492      10.19667 
1 1 1 -2  4  52 o 54.43943 5.652339 153.0672       29.68163 166.0964       37.59292 131.5000       48.36653 55.97268 7.015241 47.39948 10.68144 8.573204       12.77915 
1 1 1 -2  4  53 o 42.80812 5.623097 95.37061       22.99262 102.5577       26.22146 71.46000       47.82743 44.12163 6.245964 34.56785 11.79044 9.553780       13.34266 
1 1 1 -2  4  54 o 38.15519 7.078933 78.91707       25.46477 52.05403       30.40707 142.0000       46.59647 30.19735 9.339654 49.45234 9.970938 -19.25499      13.66195 
1 1 1 -2  4  55 o 38.27568 6.022869 77.76422       21.82014 72.56040       24.61296 96.87000       47.16126 36.38529 7.165953 39.27388 11.52068 -2.888596      13.56750 
1 1 1 -2  4  56 o 52.16323 4.659101 139.4570       23.53865 135.7257       26.52200 153.3000       51.08434 51.07528 5.386048 50.32423 10.70031 0.7510452      11.97940 
1 1 1 -2  4  57 o 59.62203 4.293493 180.8033       24.88890 175.7100       28.19172 198.8000       52.99277 58.39599 4.979567 58.51117 9.584302 -0.1151733     10.80069 
1 1 1 -2  4  58 o 25.75211 8.491071 36.91903       24.82456 57.22592       29.31474 -14.56000      46.67448 31.26694 9.057830 21.25898 9.775793 10.00795       13.32706 
1 1 1 -2  4  59 o 56.02663 4.710406 161.2122       25.59307 155.8428       28.68064 182.2000       56.70333 54.66236 5.432169 54.43578 11.02040 0.2265816      12.28648 
1 1 1 -2  4  60 o 24.83062 10.70485 17.56000       47.28648 17.56000       47.28648 0.000000       0.000000 24.83062 10.70485 ?        ?        ?              ?        
1 1 1 -2  4  61 f 20.04981 7.461489 18.97411       19.57105 39.00573       26.91046 -3.516572      28.51442 26.21681 8.845094 17.91164 7.993881 8.305172       11.92216 
1 1 1 -2  4  62 f 36.63588 7.144322 74.99466       24.69910 62.89481       28.56922 110.8000       49.14536 32.51944 8.774172 40.73083 11.70629 -8.211395      14.62954 
1 1 1 -2  4  63 o 25.38799 7.409748 36.74342       19.55201 15.42836       27.02704 60.14612       28.31966 20.54324 8.421525 31.64322 8.816409 -11.09998      12.19226 
1 1 1 -2  5  1  o 540.4398 10.06876 14336.85       532.6350 14324.54       752.8314 14349.19       753.6887 539.2197 14.27605 539.6826 14.28003 -0.4629517     20.19220 
1 1 1 -2  5  2  o 517.2191 13.70324 13175.00       693.1406 13180.00       980.7457 13170.00       979.7528 515.6817 19.46475 515.4899 19.45226 0.1917725      27.51848 
1 1 1 -2  5  3  o 857.7440 18.44551 36387.56       1548.654 38410.00       2786.373 35483.56       1862.888 870.9752 32.74170 844.5547 22.55494 26.42047       39.75857 
1 1 1 -2  5  4  o 321.3997 6.153589 5061.863       193.5888 4869.069       265.7430 5279.867       282.5842 314.9121 8.629304 327.9150 8.811995 -13.00293      12.33354 
1 1 1 -2  5  5  o 294.7838 6.560618 4259.523       189.3017 4338.438       234.5302 4112.000       320.6643 297.2747 8.067451 288.9644 11.35918 8.310211       13.93250 
1 1 1 -2  5  6  o 342.9140 7.542213 5768.464       253.1572 5683.000       434.1050 5812.509       311.6357 339.3217 13.09462 343.8932 9.266447 -4.571472      16.04170 
1 1 1 -2  5  7  o 165.2156 3.522010 1336.712       56.95710 1436.487       83.84432 1251.213       77.61488 171.1452 5.010377 159.7201 4.970592 11.42511       7.057667 
1 1 1 -2  5  8  o 248.6259 4.887211 3029.140       118.9361 3034.665       168.3109 3023.629       168.0915 248.5986 6.923575 248.1454 6.927215 0.4532013      9.793987 
1 1 1 -2  5  9  o 188.2451 3.895236 1735.709       71.77342 1809.037       103.9009 1668.780       99.26369 192.0216 5.533708 184.4236 5.504959 7.598022       7.805542 
1 1 1 -2  5  10 o 170.9042 3.631135 1430.406       60.74371 1410.599       85.14350 1450.937       86.68642 169.5852 5.135207 171.9937 5.154931 -2.408447      7.276239 
1 1 1 -2  5  11 o 327.9665 6.270982 5272.474       201.3127 5304.791       285.8690 5240.681       283.5436 328.5910 8.896208 326.6006 8.877685 1.990417       12.56805 
1 1 1 -2  5  12 o 378.7668 7.170885 7032.646       265.8587 6809.034       367.4349 7278.344       385.1523 372.2675 10.09299 384.8712 10.23284 -12.60379      14.37288 
1 1 1 -2  5  13 o 301.6687 6.711386 4458.977       198.1749 4412.256       241.2165 4556.000       347.6050 299.8856 8.225371 304.3562 11.68976 -4.470642      14.29361 
1 1 1 -2  5  14 o 232.1070 5.348191 2638.369       121.5070 2614.165       148.2025 2688.000       212.2216 230.9088 6.563715 233.9434 9.286160 -3.034515      11.37168 
1 1 1 -2  5  15 o 340.8923 6.507999 5692.812       217.1555 5566.604       302.3527 5827.277       312.0871 336.8085 9.179729 344.6020 9.260740 -7.793549      13.03951 
1 1 1 -2  5  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  5  17 o 415.6608 11.13008 8487.634       452.4311 0.000000       0.000000 8487.634       452.4311 ?        ?        415.6608 11.13008 ?              ?        
1 1 1 -2  5  18 o 341.1775 7.544927 5705.445       251.9658 5619.000       432.2487 5749.936       310.1001 337.8228 13.09671 342.2503 9.265130 -4.427521      16.04264 
1 1 1 -2  5  19 o 147.5150 4.991923 1066.982       71.97543 1110.000       103.0454 1026.000       100.5768 150.3292 7.022319 144.5078 7.132542 5.821457       10.00930 
1 1 1 -2  5  20 o 178.2090 4.486188 1556.322       78.19299 1522.000       134.4421 1573.867       96.12310 175.9962 7.823709 179.1539 5.487919 -3.157669      9.556552 
1 1 1 -2  5  21 o 296.3071 5.760050 4302.518       167.0608 4160.519       230.9933 4458.247       241.9035 291.0789 8.115336 301.3100 8.209700 -10.23111      11.54374 
1 1 1 -2  5  22 o 185.1136 3.968087 1678.267       71.89948 1662.755       101.1537 1694.107       102.2171 184.1051 5.619767 185.8338 5.625914 -1.728683      7.951899 
1 1 1 -2  5  23 o 198.8172 4.174176 1936.333       81.23273 1948.357       115.3932 1924.521       114.3745 199.2541 5.923099 198.0319 5.907089 1.222229       8.365214 
1 1 1 -2  5  24 o 246.8652 4.940155 2987.003       119.3732 2981.923       168.5927 2992.110       169.0465 246.3743 6.998054 246.7942 7.004944 -0.4199066     9.901616 
1 1 1 -2  5  25 f 256.6192 5.904357 3230.521       148.3092 3183.000       255.2406 3254.744       182.2286 253.9161 10.29092 257.3269 7.241980 -3.410873      12.58369 
1 1 1 -2  5  26 o 397.8062 8.740515 7788.536       340.3414 7760.000       588.6349 7802.866       417.1342 394.5386 15.27113 397.4674 10.73163 -2.928802      18.66481 
1 1 1 -2  5  27 o 275.7460 5.430866 3730.333       146.5833 3862.483       212.0629 3609.422       202.8445 280.1328 7.741248 270.8095 7.660016 9.323273       10.89049 
1 1 1 -2  5  28 o 136.4163 3.937736 912.7895       52.52478 921.1688       64.30974 896.0000       91.03146 136.9678 4.804245 134.8418 6.920153 2.125931       8.424327 
1 1 1 -2  5  29 o 219.8701 5.249689 2372.211       112.9811 2369.843       138.1254 2377.000       196.3951 219.5220 6.435146 219.3139 9.168899 0.2080536      11.20178 
1 1 1 -2  5  30 o 270.6215 5.372044 3594.850       142.3010 3630.670       202.5871 3559.965       199.9274 271.4547 7.632019 268.8025 7.606233 2.652222       10.77509 
1 1 1 -2  5  31 o 263.3635 5.259166 3405.073       135.5747 3305.331       188.0853 3512.942       195.5985 258.9770 7.427388 266.9767 7.492307 -7.999695      10.54992 
1 1 1 -2  5  32 o 251.2073 7.172909 3110.739       176.1931 3489.000       266.7534 2818.000       234.6682 265.0610 10.30115 238.2452 10.08573 26.81577       14.41650 
1 1 1 -2  5  33 o 373.2603 8.294800 6883.603       303.0567 6826.345       369.1332 7002.000       530.8080 370.6858 10.18316 372.5402 14.58472 -1.854370      17.78794 
1 1 1 -2  5  34 o 259.5882 5.216172 3312.194       132.5388 3287.509       186.5170 3337.373       188.3731 257.9572 7.394570 259.9019 7.412199 -1.944702      10.46997 
1 1 1 -2  5  35 o 209.1942 5.105182 2152.108       104.5363 2303.000       186.4175 2082.894       126.2553 215.1901 8.869314 205.4549 6.285472 9.735138       10.87069 
1 1 1 -2  5  36 o 175.3190 4.549327 1512.210       78.00370 1467.000       131.1400 1536.964       97.03588 171.7995 7.818925 176.5061 5.623685 -4.706619      9.631273 
1 1 1 -2  5  37 o 242.1899 4.955747 2889.346       117.4820 2889.307       166.2367 2889.385       166.0528 241.2959 7.045893 241.3029 7.037877 -0.7019043E-02 9.958731 
1 1 1 -2  5  38 o 83.20860 3.563067 340.8380       28.95288 356.5391       41.31896 325.6918       40.58210 84.87264 4.995747 81.07784 5.140054 3.794800       7.167819 
1 1 1 -2  5  39 o 113.7925 3.446974 637.1243       38.34925 657.0802       54.69197 617.8229       53.78741 115.2620 4.858547 111.7423 4.929777 3.519707       6.921574 
1 1 1 -2  5  40 f 153.6109 3.731604 1161.796       56.10789 1153.136       79.33629 1170.462       79.36081 152.4759 5.323917 153.6332 5.285207 -1.157318      7.501833 
1 1 1 -2  5  41 o 70.96391 3.881257 249.0805       26.85713 235.6814       38.43939 261.8600       37.54000 68.58182 5.779876 72.43603 5.331970 -3.854210      7.863642 
1 1 1 -2  5  42 o 185.2354 4.158748 1695.703       75.40372 1701.771       107.1441 1689.749       106.1370 184.5507 5.938983 183.9196 5.903306 0.6310577      8.373800 
1 1 1 -2  5  43 o 100.3687 3.580087 497.6100       35.11573 452.4287       48.60416 546.9470       50.79023 95.19516 5.236346 104.7946 4.965607 -9.599403      7.216410 
1 1 1 -2  5  44 o 112.0921 4.139318 622.9113       45.33813 674.1000       81.28979 599.7985       54.62299 115.1171 7.251066 109.6247 5.104517 5.492386       8.867583 
1 1 1 -2  5  45 o 123.7946 4.186845 760.7069       50.66048 717.1000       86.33646 783.6055       62.56339 118.3787 7.489389 125.2158 5.115288 -6.837097      9.069571 
1 1 1 -2  5  46 o 65.16269 4.271324 211.7701       27.09361 214.9446       38.35998 208.6101       38.27247 65.03249 6.097283 64.02581 6.183826 1.006683       8.684271 
1 1 1 -2  5  47 o 58.89999 5.210182 175.3905       29.72876 160.0674       35.99039 208.3000       52.74405 55.65201 6.744387 62.47344 8.874642 -6.821430      11.14657 
1 1 1 -2  5  48 o 28.62958 9.686687 42.88697       32.27552 42.88697       32.27552 0.000000       0.000000 28.62958 9.686687 ?        ?        ?              ?        
1 1 1 -2  5  49 o 49.53375 5.024198 124.8903       24.02323 123.3853       34.41599 126.3205       33.54858 48.11565 7.556216 48.85541 7.233736 -0.7397614     10.46056 
1 1 1 -2  5  50 o 47.26865 5.795784 115.5861       26.25537 168.6000       46.22802 90.34242       31.89967 55.47890 8.806686 40.58073 8.310695 14.89818       12.10890 
1 1 1 -2  5  51 o 57.95701 4.429857 169.7495       24.94010 173.1851       29.12316 160.3000       48.29905 58.21964 5.164003 53.39720 9.593491 4.822441       10.89504 
1 1 1 -2  5  52 o 83.20693 3.654884 346.0408       29.69467 353.2514       34.53728 325.6000       58.15020 83.77974 4.225199 77.97629 7.719948 5.803452       8.800563 
1 1 1 -2  5  53 o 30.23100 7.508684 50.39194       22.11845 47.97855       25.51486 57.69000       44.36928 29.26982 8.441743 31.77258 11.32174 -2.502760      14.12249 
1 1 1 -2  5  54 o 26.17192 7.658235 37.76273       20.86185 42.46797       23.57236 20.76000       44.80967 27.59560 8.158225 25.40962 10.66548 2.185982       13.42792 
1 1 1 -2  5  55 o 31.40910 7.032547 54.25308       21.08168 50.48355       23.76043 68.20000       45.70355 29.91952 7.970518 33.39344 11.52123 -3.473919      14.00957 
1 1 1 -2  5  56 o 57.27481 4.372560 167.0599       24.32821 154.7661       27.40963 212.7000       52.81214 54.68803 5.182239 61.04732 9.117103 -6.359287      10.48700 
1 1 1 -2  5  57 o 64.30949 4.155171 209.7929       26.01593 199.3997       29.65652 244.5000       54.19436 62.26178 4.905835 65.89317 8.608095 -3.631393      9.907902 
1 1 1 -2  5  58 o 42.81944 5.446012 96.09332       22.31006 85.13338       25.10871 137.2000       48.62688 39.60802 6.716108 47.29745 10.74835 -7.689438      12.67411 
1 1 1 -2  5  59 o 35.69170 8.306476 72.93682       28.47306 72.93682       28.47306 0.000000       0.000000 35.69170 8.306476 ?        ?        ?              ?        
1 1 1 -2  5  60 o 66.45320 5.703745 231.7267       36.74220 268.8000       47.67534 177.5000       57.65939 70.43632 7.007846 53.03594 11.44324 17.40038       13.41855 
1 1 1 -2  5  61 o 28.00819 9.967000 45.59749       34.37535 63.07000       48.68049 28.22000       48.54794 31.68543 11.77238 26.24430 11.06363 5.441126       16.15527 
1 1 1 -2  5  62 f 46.50911 6.098208 116.2435       27.09359 109.6000       51.57687 118.7755       31.84058 39.98878 12.12557 46.18571 7.284274 -6.196934      14.14532 
1 1 1 -2  5  63 o 18.57805 7.273737 14.38678       19.22107 28.34163       26.88510 -0.2034997     27.49039 23.24653 8.726203 17.91353 7.930047 5.333000       11.79119 
1 1 1 -2  6  1  o 426.9958 8.024508 8943.154       335.3885 9006.186       476.6664 8881.354       471.9902 427.8654 11.39168 424.8941 11.35889 2.971344       16.08710 
1 1 1 -2  6  2  o 458.3733 8.596006 10309.99       385.6756 10012.34       533.8793 10634.87       557.7595 450.9658 12.10560 464.7460 12.27171 -13.78024      17.23776 
1 1 1 -2  6  3  o 428.9500 8.073916 9027.225       338.9980 8662.869       466.6176 9434.487       493.3279 419.5474 11.37299 437.8151 11.52169 -18.26767      16.18933 
1 1 1 -2  6  4  o 265.5557 5.984035 3456.372       155.5450 3788.000       285.9778 3317.049       185.3610 277.3801 10.55221 259.9552 7.291936 17.42487       12.82659 
1 1 1 -2  6  5  f 565.3541 10.56577 15722.00       584.6932 15785.67       826.2792 15658.15       827.4844 564.8813 14.95704 562.5598 15.04093 2.321533       21.21185 
1 1 1 -2  6  6  o 174.8339 5.194539 1499.369       88.79675 1505.000       127.0973 1494.000       124.1111 174.9555 7.438659 174.3298 7.289408 0.6257172      10.41485 
1 1 1 -2  6  7  o 224.0476 4.474782 2459.388       98.13375 2580.577       142.8468 2351.075       135.0457 229.2860 6.371003 218.8510 6.310736 10.43503       8.967445 
1 1 1 -2  6  8  o 66.73379 2.446868 218.3180       15.95609 236.7906       22.79817 200.5813       22.33947 69.45529 3.363423 63.89643 3.586215 5.558857       4.916661 
1 1 1 -2  6  9  o 129.8984 3.028612 826.1861       38.50826 860.7241       55.32707 793.7339       53.63035 132.4879 4.271923 127.2197 4.312991 5.268227       6.070520 
1 1 1 -2  6  10 o 184.8201 4.430995 1673.105       80.15981 1896.000       148.3544 1581.198       95.26329 196.4346 7.730813 179.5545 5.426525 16.88008       9.445244 
1 1 1 -2  6  11 o 220.1219 4.425610 2372.909       95.35480 2366.391       134.6491 2379.468       135.0559 219.6595 6.268907 220.2659 6.270502 -0.6064758     8.866701 
1 1 1 -2  6  12 o 378.6086 8.274188 7028.316       306.6352 6869.512       369.7639 7378.000       548.6957 374.0031 10.10978 386.9120 14.51388 -12.90900      17.68786 
1 1 1 -2  6  13 o 410.5942 8.931804 8266.308       358.9700 8138.972       435.0323 8538.000       635.4539 407.0858 10.92754 416.2011 15.62595 -9.115295      19.06781 
1 1 1 -2  6  14 o 361.3719 6.867209 6398.028       242.9075 6131.832       333.4300 6699.085       354.5920 353.4613 9.646343 369.4426 9.814327 -15.98132      13.76128 
1 1 1 -2  6  15 o 217.5829 5.087569 2318.388       108.3531 2203.000       180.5092 2383.382       135.4748 211.7974 8.725768 220.4878 6.283635 -8.690399      10.75282 
1 1 1 -2  6  16 o 317.0995 8.648921 4933.716       268.1994 0.000000       0.000000 4933.716       268.1994 ?        ?        317.0995 8.648921 ?              ?        
1 1 1 -2  6  17 o 318.5686 8.686027 4980.128       270.5982 5136.000       391.8250 4838.000       374.1535 323.0753 12.41341 313.5759 12.21328 9.499451       17.41427 
1 1 1 -2  6  18 o 354.2019 7.809185 6150.477       270.7465 6034.714       326.9681 6403.000       482.9137 350.5793 9.537106 360.5132 13.70990 -9.933990      16.70083 
1 1 1 -2  6  19 o 528.8917 11.42675 13745.11       591.5557 13270.00       999.3920 14001.35       733.9401 517.2494 19.77563 533.0654 14.07843 -15.81598      24.27505 
1 1 1 -2  6  20 o 195.3392 4.113922 1868.611       78.65958 1721.709       105.9943 2048.687       117.3539 187.3590 5.786592 204.3866 5.872044 -17.02763      8.244122 
1 1 1 -2  6  21 o 174.9590 3.815538 1499.037       65.34287 1474.629       91.44617 1524.500       93.40243 173.3926 5.394577 176.3013 5.418914 -2.908707      7.646312 
1 1 1 -2  6  22 o 162.6876 3.659145 1296.177       58.26937 1294.204       82.17419 1298.173       82.63844 162.4295 5.175103 162.6771 5.196452 -0.2476196     7.333812 
1 1 1 -2  6  23 o 409.6140 7.753472 8239.042       310.8688 8183.847       437.6066 8295.271       441.6917 407.4113 10.98351 410.1697 11.01140 -2.758392      15.55276 
1 1 1 -2  6  24 o 225.6470 4.595632 2495.274       101.5035 2453.171       142.0300 2539.227       145.1150 223.4918 6.499410 227.3778 6.526910 -3.886047      9.211020 
1 1 1 -2  6  25 o 312.0471 6.045047 4777.736       184.6401 4781.415       261.2967 4774.067       260.9447 311.6506 8.573783 311.4120 8.568800 0.2386780      12.12164 
1 1 1 -2  6  26 o 239.4714 5.582836 2813.354       130.8623 2781.000       225.9302 2829.688       160.5329 237.3139 9.746984 239.9250 6.842682 -2.611084      11.90907 
1 1 1 -2  6  27 o 266.4771 6.105412 3486.304       159.2506 3433.000       273.8719 3513.533       195.7449 263.3793 10.64524 267.1998 7.491641 -3.820526      13.01713 
1 1 1 -2  6  28 o 202.8687 4.263412 2017.577       84.66006 2075.777       121.6190 1962.862       117.9214 205.5121 6.052452 199.8419 6.035285 5.670273       8.547329 
1 1 1 -2  6  29 o 144.9442 3.515753 1029.449       49.87987 1072.557       71.61572 988.8350       69.51285 147.7768 4.958055 141.8796 5.013281 5.897217       7.050907 
1 1 1 -2  6  30 o 83.08557 3.924376 339.1487       31.82536 314.8760       37.89927 397.2000       58.61074 79.96474 4.865035 89.62681 6.730024 -9.662071      8.304324 
1 1 1 -2  6  31 o 203.6475 6.110011 2040.287       121.6566 2040.287       121.6566 0.000000       0.000000 203.6475 6.110011 ?        ?        ?              ?        
1 1 1 -2  6  32 o 52.85904 5.074713 138.4446       25.93434 155.0853       31.75291 105.1000       44.94800 55.86248 5.895906 45.14904 10.38708 10.71344       11.94375 
1 1 1 -2  6  33 o 174.3151 4.520401 1492.521       77.06399 1622.000       137.1395 1432.765       93.16483 181.0990 7.754377 170.6239 5.585881 10.47507       9.556800 
1 1 1 -2  6  34 f 131.8536 4.008385 853.9061       51.67292 830.4000       85.24635 867.5596       64.96937 129.6007 6.743083 132.7726 5.008101 -3.171921      8.399420 
1 1 1 -2  6  35 o 163.2210 4.374312 1309.622       69.82330 1384.000       121.7159 1273.140       85.24446 167.1016 7.460307 160.7387 5.425784 6.362946       9.224712 
1 1 1 -2  6  36 o 111.2798 3.388561 608.2252       36.86646 609.3748       51.86348 607.0510       52.41499 111.1894 4.776460 110.9668 4.837277 0.2226334      6.798075 
1 1 1 -2  6  37 o 106.4250 3.407161 556.6780       35.44723 543.6304       49.77427 570.1053       50.49337 104.9391 4.858945 107.4780 4.811841 -2.538925      6.838359 
1 1 1 -2  6  38 o 77.08424 3.648797 292.7398       27.45283 290.7557       38.40493 294.8130       39.25742 76.57134 5.154088 77.09053 5.233557 -0.5191879     7.345389 
1 1 1 -2  6  39 o 130.3711 3.521217 836.4631       44.89339 834.2129       63.45631 838.7179       63.52143 129.8310 5.002691 130.1840 4.994161 -0.3530273     7.068844 
1 1 1 -2  6  40 o 132.1561 3.554360 860.2633       45.93676 895.0190       66.51429 828.5684       63.51801 134.3621 5.066531 129.2833 5.028950 5.078781       7.138632 
1 1 1 -2  6  41 o 102.3711 3.462623 516.7036       34.64682 512.3739       49.33739 520.9162       48.66553 101.5430 4.979045 102.4218 4.868193 -0.8787842     6.963490 
1 1 1 -2  6  42 o 48.64030 5.101031 118.7556       23.92538 123.2752       33.90060 114.2706       33.77097 48.95583 7.297100 47.00467 7.599172 1.951157       10.53542 
1 1 1 -2  6  43 o 45.91201 5.346793 106.3806       23.57935 114.6675       33.69358 98.42678       33.00941 47.02021 7.578321 43.32867 8.080333 3.691547       11.07803 
1 1 1 -2  6  44 o 48.57129 5.215371 118.8957       24.40746 101.4482       34.23863 136.9231       34.80302 43.87141 8.276517 51.57882 7.080130 -7.707409      10.89169 
1 1 1 -2  6  45 o 58.50255 4.540179 171.1122       25.79548 147.2092       35.90635 196.6072       37.08271 53.43769 7.035369 62.20414 6.171699 -8.766449      9.358754 
1 1 1 -2  6  46 o 72.86627 4.674535 265.6798       33.16457 290.3000       58.32858 253.9181       40.31546 74.59930 8.118870 70.78218 5.871699 3.817116       10.01963 
1 1 1 -2  6  47 o 31.66613 9.718283 54.43487       32.99960 2.021000       48.61526 99.22000       44.93827 24.67451 10.74465 41.90371 10.86609 -17.22920      15.28135 
1 1 1 -2  6  48 o 38.05379 7.602967 77.68167       27.32822 84.96184       33.40891 62.96000       47.50840 39.28795 8.895182 33.83599 11.74291 5.451962       14.73161 
1 1 1 -2  6  49 o 44.58699 7.573331 106.3571       31.87115 89.08000       43.69440 126.0000       46.59004 39.16752 10.96525 47.01072 10.40069 -7.843204      15.11328 
1 1 1 -2  6  50 o 51.30159 4.658553 133.5026       23.13831 114.8831       26.50746 193.1000       47.42397 47.06760 5.881627 59.70233 8.342697 -12.63473      10.20755 
1 1 1 -2  6  51 o 61.78429 4.165707 192.1230       25.04534 182.8013       28.86737 220.5000       50.36642 59.91364 4.966981 63.79329 8.259731 -3.879650      9.638157 
1 1 1 -2  6  52 o 58.33688 4.380003 172.1699       24.82795 172.2998       28.86107 171.8000       48.69567 58.00954 5.135854 55.30511 9.326798 2.704430       10.64735 
1 1 1 -2  6  53 o 57.20420 4.397722 165.9252       24.43532 158.7502       28.12753 188.0000       49.33635 55.54814 5.234887 57.96307 8.986532 -2.414925      10.40009 
1 1 1 -2  6  54 o 20.17880 7.611336 17.88991       20.50849 17.44648       23.43534 19.34000       42.37953 20.70276 8.052876 24.76165 10.38149 -4.058891      13.13865 
1 1 1 -2  6  55 o 31.07465 7.134073 53.29020       21.24017 60.77408       24.02933 26.55000       45.42140 33.01384 7.594279 26.13500 10.83569 6.878839       13.23197 
1 1 1 -2  6  56 o 26.93917 7.628943 40.58422       21.02454 49.87612       23.86278 8.345000       44.44891 29.66771 8.025048 23.42050 10.23487 6.247206       13.00592 
1 1 1 -2  6  57 o 54.87933 4.391028 153.6728       23.39083 148.1109       26.32948 174.5000       50.95025 53.50136 5.088933 54.36574 9.940674 -0.8643761     11.16755 
1 1 1 -2  6  58 o 48.07971 5.572031 121.2079       25.73802 121.2079       25.73802 0.000000       0.000000 48.07971 5.572031 ?        ?        ?              ?        
1 1 1 -2  6  59 o 42.43003 5.539640 94.66156       22.45817 97.54300       24.98528 82.54000       51.24585 42.75197 6.147166 35.56543 12.20252 7.186539       13.66343 
1 1 1 -2  6  60 o 43.10747 6.314324 99.84513       25.85334 89.58154       29.94409 129.9000       51.24115 39.78397 7.967520 44.93135 11.57869 -5.147381      14.05516 
1 1 1 -2  6  61 o 24.20372 9.479472 28.27000       32.65513 28.27000       32.65513 0.000000       0.000000 24.20372 9.479472 ?        ?        ?              ?        
1 1 1 -2  6  62 o 35.60811 6.166234 68.92289       20.71388 80.06512       28.82991 57.03344       29.78093 37.15709 8.151347 30.69889 9.193121 6.458197       12.28649 
1 1 1 -2  6  63 o 14.71462 6.799162 -12.44039      22.96948 3.890000       46.09621 -17.83454      26.49282 22.40096 10.06782 15.24149 7.129641 7.159468       12.33665 
1 1 1 -2  7  1  o 247.4659 4.869245 3000.321       117.9460 3096.000       240.8164 2970.127       135.2827 250.7823 9.829353 246.1746 5.614263 4.607697       11.31972 
1 1 1 -2  7  2  o 507.7959 10.97897 12690.45       545.7036 12600.00       940.2009 12736.40       670.1314 502.7952 19.13890 507.8195 13.49365 -5.024323      23.41743 
1 1 1 -2  7  3  o 141.5671 3.671570 982.1597       50.83393 910.5000       84.63460 1022.601       63.57990 136.1113 6.370211 144.4065 4.503584 -8.295120      7.801401 
1 1 1 -2  7  4  o 159.2755 4.843974 1244.234       75.43134 1127.000       101.3215 1390.000       112.9803 151.4100 6.854392 168.1812 6.877590 -16.77119      9.709991 
1 1 1 -2  7  5  o 466.6511 8.756581 10701.69       399.9753 10659.99       563.7824 10743.93       567.5372 464.6173 12.40792 466.4328 12.44191 -1.815521      17.57150 
1 1 1 -2  7  6  o 230.9366 4.592192 2613.133       103.8052 2605.370       146.4436 2620.971       147.1644 230.3695 6.500906 231.0573 6.513440 -0.6878662     9.202537 
1 1 1 -2  7  7  o 401.7299 7.596867 7922.348       298.7273 8411.141       439.0645 7501.070       407.6148 413.1474 10.86661 390.1859 10.68270 22.96155       15.23822 
1 1 1 -2  7  8  o 413.0814 7.801120 8374.913       315.4269 8943.343       467.8081 7901.053       427.1248 426.0783 11.22666 400.5380 10.90458 25.54034       15.65081 
1 1 1 -2  7  9  o 512.8688 9.602847 12920.18       482.0727 14317.50       732.8719 11854.47       640.0284 538.6418 13.91187 490.2549 13.34982 48.38690       19.28102 
1 1 1 -2  7  10 o 93.92122 2.664036 432.1679       24.46646 447.4262       34.66467 417.0216       34.53727 95.52079 3.714597 92.20682 3.835022 3.313972       5.339066 
1 1 1 -2  7  11 o 359.5119 7.877809 6336.199       277.2202 6299.053       338.3953 6412.000       483.4005 358.1766 9.660903 360.7883 13.71323 -2.611725      16.77456 
1 1 1 -2  7  12 o 280.5169 5.449039 3853.897       149.6184 3916.459       213.7213 3793.766       209.5259 282.5784 7.734126 278.1160 7.704141 4.462463       10.91652 
1 1 1 -2  7  13 o 363.7385 6.906355 6482.214       245.8920 6346.718       342.6802 6626.027       353.0388 359.5938 9.744761 367.4181 9.825295 -7.824341      13.83824 
1 1 1 -2  7  14 o 245.1239 5.604699 2942.804       134.4758 2740.000       220.8893 3062.233       169.5082 236.1704 9.575123 249.9046 6.936343 -13.73413      11.82353 
1 1 1 -2  7  15 o 331.3965 7.320824 5381.828       237.4730 5251.000       403.2416 5451.293       293.8299 326.6880 12.63413 333.2969 9.014831 -6.608856      15.52058 
1 1 1 -2  7  16 o 497.9899 9.314273 12163.62       454.0208 11954.88       634.0200 12383.32       650.4602 492.9934 13.15054 501.7355 13.25624 -8.742126      18.67256 
1 1 1 -2  7  17 o 588.2037 12.66987 17006.04       729.4677 16080.00       1214.302 17528.93       912.4597 569.1564 21.83712 596.3044 15.64641 -27.14801      26.86392 
1 1 1 -2  7  18 o 460.5066 9.996464 10409.28       450.5972 9682.000       742.3519 10833.54       566.9939 442.5433 17.17009 469.2755 12.35442 -26.73212      21.15286 
1 1 1 -2  7  19 o 327.8201 6.298416 5266.545       202.1031 5106.473       279.8277 5441.096       292.2082 322.4673 8.873844 332.8599 8.976794 -10.39258      12.62252 
1 1 1 -2  7  20 o 147.5918 3.456896 1066.606       49.94070 1000.137       68.38840 1142.550       73.10047 142.8014 4.899903 152.6414 4.898967 -9.839951      6.928847 
1 1 1 -2  7  21 o 197.0475 4.788551 1902.245       92.35946 1818.000       156.5981 1947.179       114.3687 192.2542 8.341404 199.2235 5.871302 -6.969360      10.20055 
1 1 1 -2  7  22 o 469.5273 8.832798 10833.09       405.9433 10176.75       548.8076 11626.03       603.2240 454.0417 12.36011 485.1991 12.71238 -31.15735      17.73067 
1 1 1 -2  7  23 o 291.6964 5.685079 4172.296       162.3207 4171.853       229.5514 4172.739       229.5608 291.2881 8.058765 291.3192 8.058232 -0.3109741E-01 11.39644 
1 1 1 -2  7  24 o 186.5422 3.995226 1704.877       72.94988 1705.275       103.1005 1704.479       103.2331 186.3788 5.657974 186.3344 5.666626 0.4438782E-01  8.007704 
1 1 1 -2  7  25 o 287.2948 5.619276 4048.809       158.0208 4079.721       224.5958 4018.506       222.3712 287.9462 7.976320 285.7798 7.957265 2.166443       11.26675 
1 1 1 -2  7  26 o 245.4834 4.926877 2955.119       118.3859 3054.875       170.9617 2863.216       164.0952 249.2435 7.014569 241.3018 6.954765 7.941711       9.877901 
1 1 1 -2  7  27 o 402.7523 7.655993 7979.822       301.8184 8016.238       427.9767 7943.792       425.7038 402.4762 10.87356 400.6555 10.86504 1.820648       15.37151 
1 1 1 -2  7  28 o 125.0583 3.899221 767.2643       47.67226 728.6000       82.99612 786.3016       58.23771 121.5325 7.006547 126.5328 4.710357 -5.000290      8.442699 
1 1 1 -2  7  29 o 283.6674 6.469311 3954.816       179.6278 4035.000       315.9698 3916.526       218.3433 285.0698 11.34636 281.8860 7.921199 3.183777       13.83782 
1 1 1 -2  7  30 o 178.8039 4.568794 1569.269       79.89670 1647.880       100.7414 1436.000       131.1699 183.0940 5.627863 170.5390 7.879153 12.55502       9.682659 
1 1 1 -2  7  31 o 238.7676 6.905141 2808.510       161.2122 2808.510       161.2122 0.000000       0.000000 238.7676 6.905141 ?        ?        ?              ?        
1 1 1 -2  7  32 o 297.9382 6.771229 4370.630       197.4695 4275.295       238.0450 4581.000       353.6107 294.1220 8.276705 302.8854 11.95072 -8.763458      14.53697 
1 1 1 -2  7  33 o 121.1461 3.888201 720.6631       46.04703 782.2000       78.98410 688.9794       56.67476 125.8665 6.432294 118.3335 4.903633 7.533005       8.088264 
1 1 1 -2  7  34 o 147.5754 4.159348 1069.921       60.02221 1210.000       107.4060 1006.309       72.37880 156.4108 7.033447 142.9667 5.180707 13.44409       8.735508 
1 1 1 -2  7  35 o 204.1449 5.025032 2050.289       100.4116 2007.449       121.4141 2143.000       178.6121 201.6466 6.158591 207.4148 8.817733 -5.768143      10.75549 
1 1 1 -2  7  36 o 95.00213 3.403396 443.5262       31.59729 422.0691       43.80114 466.8076       45.62528 92.47466 4.856027 97.27288 4.806786 -4.798218      6.832729 
1 1 1 -2  7  37 o 128.3005 3.489235 809.0941       43.77855 833.2958       62.49854 785.7798       61.34210 129.9327 4.923019 126.1566 4.977322 3.776131       7.000703 
1 1 1 -2  7  38 o 85.60826 3.490621 360.7942       29.18857 381.2729       41.47680 340.7017       41.08376 87.77415 4.846423 82.91032 5.086875 4.863838       7.025960 
1 1 1 -2  7  39 o 106.3756 3.417022 556.9980       35.53303 512.4640       49.03648 606.2358       51.56110 101.7090 4.940315 110.6870 4.770236 -8.978020      6.867449 
1 1 1 -2  7  40 o 52.79508 4.638115 138.8280       23.72515 123.5760       33.63466 153.9318       33.47080 49.17011 7.201904 55.22853 6.304289 -6.058422      9.571388 
1 1 1 -2  7  41 o 51.10255 4.764935 130.4482       23.55978 122.9318       33.92446 137.4506       32.74401 48.93097 7.306608 52.00906 6.578965 -3.078094      9.832054 
1 1 1 -2  7  42 o 75.61607 3.775902 282.9000       27.85895 290.0098       39.46353 275.8368       39.33380 76.15959 5.327367 74.22929 5.451603 1.930298       7.622389 
1 1 1 -2  7  43 o 53.52860 4.669885 143.2727       24.22327 127.4026       33.88760 159.8539       34.63850 49.73169 7.168190 56.05776 6.428923 -6.326077      9.628810 
1 1 1 -2  7  44 o 57.42460 4.575698 164.7598       25.50688 153.8917       35.76307 176.0119       36.38943 54.80670 6.813117 58.80038 6.427048 -3.993687      9.366190 
1 1 1 -2  7  45 o 87.03662 3.674713 375.3076       31.23586 342.0209       43.45433 410.8949       44.93102 82.49227 5.411509 90.58142 5.088036 -8.089149      7.427822 
1 1 1 -2  7  46 o 63.41430 4.826203 201.9389       29.73205 223.8786       37.40688 164.3000       48.99534 66.42047 5.812152 55.23083 9.399259 11.18964       11.05112 
1 1 1 -2  7  47 f 51.09250 7.681106 137.7929       37.22613 166.2000       55.13904 114.0000       50.46262 54.49890 10.71841 44.55215 11.49524 9.946743       15.71702 
1 1 1 -2  7  48 o 78.63460 5.420464 314.2842       41.46589 324.0000       58.39126 304.4000       58.89524 78.40009 7.708531 75.71792 8.070745 2.682175       11.16057 
1 1 1 -2  7  49 o 86.21348 4.094083 372.1837       34.45049 333.0181       40.90829 467.7000       63.88480 80.98602 5.187820 94.73461 6.937521 -13.74859      8.662718 
1 1 1 -2  7  50 o 23.26423 8.490593 25.58778       25.13449 1.360987       31.60443 67.28000       41.45983 20.02794 8.692807 34.14824 10.95291 -14.12030      13.98324 
1 1 1 -2  7  51 o 32.11627 7.060705 55.81919       21.59037 49.00966       25.10506 75.16000       42.30973 29.73367 8.307078 35.73561 11.01083 -6.001944      13.79297 
1 1 1 -2  7  52 o 28.54904 8.653773 45.39133       26.27325 43.83952       33.47705 47.88000       42.39454 28.38385 9.857065 29.84966 11.00500 -1.465805      14.77402 
1 1 1 -2  7  53 o 73.79791 3.793072 273.3295       27.30749 271.2786       31.33791 279.8000       55.66211 73.21139 4.393268 71.66117 8.075886 1.550217       9.193516 
1 1 1 -2  7  54 o 17.11784 7.172618 5.531290       20.21195 6.810969       23.05224 1.277000       42.03161 18.26695 7.657463 22.21494 9.821260 -3.947981      12.45367 
1 1 1 -2  7  55 f 39.00895 5.724614 80.23741       21.20832 84.90845       24.07124 64.03000       44.83823 39.81229 6.393336 32.50608 11.39977 7.306217       13.07018 
1 1 1 -2  7  56 o 56.19702 4.255429 160.5248       23.23394 153.8854       26.14039 185.5000       50.69942 54.66802 4.938283 56.64915 9.477859 -1.981129      10.68721 
1 1 1 -2  7  57 o 36.00655 6.824657 70.79826       23.17287 70.79826       23.17287 0.000000       0.000000 36.00655 6.824657 ?        ?        ?              ?        
1 1 1 -2  7  58 o 29.25899 7.328356 47.89594       20.94064 59.17979       23.32786 1.074000       47.51941 32.50135 7.487025 23.02316 10.29424 9.478188       12.72898 
1 1 1 -2  7  59 o 37.72430 7.076865 78.36533       25.17210 70.63317       28.68006 104.3000       52.52551 34.97560 8.468698 39.60833 12.27938 -4.632729      14.91650 
1 1 1 -2  7  60 o 36.85543 6.304564 73.36719       21.92686 68.21366       24.35766 95.39000       50.35233 34.94471 7.354271 37.93814 12.05997 -2.993439      14.12544 
1 1 1 -2  7  61 o 25.85608 8.246567 38.11560       23.52772 27.54140       27.11038 70.38000       47.35586 23.31409 8.760334 32.93355 11.70063 -9.619467      14.61671 
1 1 1 -2  7  62 o 20.01270 8.612655 8.078000       30.50576 8.078000       30.50576 0.000000       0.000000 20.01270 8.612655 ?        ?        ?              ?        
1 1 1 -2  8  1  o 378.7722 7.174620 7041.284       266.0009 6655.000       511.6305 7184.377       311.3955 366.4455 14.29138 382.4169 8.318959 -15.97141      16.53629 
1 1 1 -2  8  2  o 270.7220 5.279603 3592.465       139.9043 3334.000       266.3131 3690.985       164.4203 260.0055 10.48566 274.3362 6.123028 -14.33072      12.14251 
1 1 1 -2  8  3  o 115.7291 3.308367 656.4114       37.43833 768.7000       70.39472 612.1243       44.20901 125.0796 5.765236 111.7125 4.049691 13.36705       7.045420 
1 1 1 -2  8  4  o 189.8931 5.587990 1769.277       103.7524 1788.000       147.6217 1751.000       145.8505 190.6529 7.927739 188.6680 7.915335 1.984848       11.20275 
1 1 1 -2  8  5  o 94.88144 3.644448 441.5484       33.78399 419.2000       47.82975 463.8000       47.72598 92.32899 5.314874 97.15389 5.035856 -4.824898      7.321730 
1 1 1 -2  8  6  o 207.4090 5.941479 2110.649       120.4982 1881.000       158.8379 2422.000       184.9468 195.5478 8.317406 221.9115 8.530417 -26.36369      11.91416 
1 1 1 -2  8  7  o 461.6501 12.31550 10505.04       556.0105 10910.00       807.5330 10140.00       766.6910 468.7357 17.63197 451.9680 17.36261 16.76779       24.74564 
1 1 1 -2  8  8  o 396.4026 7.486807 7705.997       290.4955 8059.576       424.0615 7393.366       398.7509 404.8264 10.71113 387.7561 10.51569 17.07028       15.01027 
1 1 1 -2  8  9  o 422.8587 9.201983 8773.748       380.8754 9364.346       488.0750 7854.000       609.0815 436.4059 11.43574 398.8161 15.63286 37.58978       19.36911 
1 1 1 -2  8  10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  11 o 543.1076 10.13842 14470.98       538.9670 14915.93       780.6418 14065.69       745.0333 550.5118 14.49964 534.6320 14.24957 15.87988       20.32953 
1 1 1 -2  8  12 o 160.8472 4.987419 1268.133       78.42786 1171.000       102.8634 1403.000       121.2082 154.4506 6.820830 169.0510 7.342518 -14.60036      10.02179 
1 1 1 -2  8  13 o 338.7406 7.462465 5622.997       247.4319 5573.000       424.3827 5648.745       304.5527 336.5577 12.90617 339.2805 9.179027 -2.722717      15.83742 
1 1 1 -2  8  14 o 329.0876 7.268270 5306.988       234.1256 5381.000       407.9738 5270.645       285.8873 330.7154 12.62613 327.7336 8.920141 2.981812       15.45924 
1 1 1 -2  8  15 o 550.3361 11.86603 14874.97       639.2045 14970.00       786.4312 14690.00       1097.243 551.4090 14.58351 544.6033 20.62062 6.805664       25.25646 
1 1 1 -2  8  16 o 335.1000 7.422047 5503.766       243.4469 5250.000       409.4365 5642.546       302.7838 326.5605 12.83403 339.0492 9.131861 -12.48871      15.75129 
1 1 1 -2  8  17 o 349.1228 9.447506 5984.910       322.5538 6081.000       462.6137 5894.000       449.9690 351.3241 13.47754 345.8997 13.31490 5.424377       18.94546 
1 1 1 -2  8  18 o 189.1203 5.772280 1753.965       106.7291 1909.000       157.7204 1623.000       144.9611 197.1170 8.192286 181.7271 8.170296 15.38994       11.57010 
1 1 1 -2  8  19 o 220.2040 4.487541 2374.948       96.72526 2302.388       134.2903 2453.176       139.4351 216.6405 6.339662 223.6249 6.376604 -6.984436      8.991796 
1 1 1 -2  8  20 o 349.1779 7.724763 5982.481       264.0208 5452.000       429.7234 6304.156       334.6284 332.2580 13.23969 358.0740 9.555911 -25.81598      16.32804 
1 1 1 -2  8  21 o 214.8692 5.110332 2262.462       107.4805 2168.000       182.4809 2312.640       132.9980 209.8761 8.902993 217.0791 6.265785 -7.203033      10.88684 
1 1 1 -2  8  22 o 261.2114 5.168799 3344.378       132.1563 3187.752       181.2727 3522.073       193.0802 254.7300 7.277654 267.7516 7.374168 -13.02164      10.36063 
1 1 1 -2  8  23 o 431.1822 8.144970 9137.763       343.7609 8970.007       479.7592 9314.767       492.8061 426.1559 11.51189 434.2421 11.60452 -8.086212      16.34590 
1 1 1 -2  8  24 o 353.2630 6.762527 6127.188       233.8371 6105.046       330.0555 6149.502       331.3394 351.9287 9.590276 353.2081 9.592648 -1.279358      13.56437 
1 1 1 -2  8  25 o 270.8420 5.341633 3597.994       141.6108 3652.915       202.2105 3545.135       198.3802 272.4934 7.588652 268.4459 7.557317 4.047455       10.70984 
1 1 1 -2  8  26 o 111.4630 3.186196 609.0662       34.72671 595.8098       48.60411 622.8904       49.63404 110.1484 4.517638 112.6284 4.511337 -2.480026      6.384450 
1 1 1 -2  8  27 o 154.7322 3.604308 1173.147       54.58945 1254.643       79.70450 1101.142       74.91975 159.8407 5.100885 149.7314 5.119368 10.10931       7.226822 
1 1 1 -2  8  28 o 220.4297 4.549435 2382.843       98.15984 2446.371       141.2924 2323.576       136.4711 223.0243 6.479193 217.3597 6.421431 5.664566       9.122210 
1 1 1 -2  8  29 f 71.93938 5.156884 255.2771       36.07196 241.4000       54.21533 266.3000       48.31919 69.53185 8.118449 73.27651 6.814834 -3.744667      10.59958 
1 1 1 -2  8  30 o 198.9365 6.039490 1946.688       117.4675 1989.000       169.9704 1908.000       162.5277 200.5553 8.678849 196.4696 8.471251 4.085709       12.12784 
1 1 1 -2  8  31 o 187.3751 4.100070 1721.951       75.19852 1648.903       103.6814 1803.024       109.2288 183.0741 5.793151 191.4397 5.835878 -8.365601      8.223021 
1 1 1 -2  8  32 o 128.6153 3.933104 812.0906       49.45652 803.3000       81.45673 817.2231       62.24181 127.5682 6.545350 128.9066 4.942037 -1.338455      8.201544 
1 1 1 -2  8  33 o 69.02132 5.025094 235.3175       33.71696 221.2000       43.99998 255.4000       52.47863 66.63775 6.842800 71.51646 7.613606 -4.878708      10.23674 
1 1 1 -2  8  34 o 164.8300 4.427492 1335.469       71.36852 1329.397       86.95944 1348.000       124.9133 164.2782 5.415325 164.8661 7.762331 -0.5879211     9.464645 
1 1 1 -2  8  35 o 158.0378 4.272628 1228.182       66.03340 1122.000       107.2139 1293.078       83.81771 150.3543 7.306867 161.9586 5.294311 -11.60435      9.023305 
1 1 1 -2  8  36 o 145.7345 4.133057 1044.924       58.89809 1006.497       70.96391 1130.000       105.5891 142.8347 5.083826 150.7727 7.175270 -7.937988      8.793736 
1 1 1 -2  8  37 o 99.85188 3.361001 490.2491       32.80286 463.8708       45.49697 518.8057       47.33829 96.88590 4.812572 102.4914 4.731426 -5.605545      6.748870 
1 1 1 -2  8  38 o 61.86561 4.024634 189.2172       24.23919 165.5371       33.57082 215.0076       35.03481 57.46473 6.059469 65.69332 5.498847 -8.228592      8.182572 
1 1 1 -2  8  39 o 102.6048 3.381435 518.3016       33.91420 504.9734       47.73372 531.8879       48.19342 100.9619 4.844297 103.6439 4.763220 -2.682007      6.793782 
1 1 1 -2  8  40 o 102.4224 3.439692 517.0267       34.43532 509.4013       48.82438 524.5743       48.57438 101.2882 4.939500 102.8182 4.840074 -1.529938      6.915560 
1 1 1 -2  8  41 o 59.58887 4.290639 176.4440       24.85856 130.6223       34.98960 223.1442       35.32341 50.44625 7.297838 66.76121 5.452914 -16.31496      9.110033 
1 1 1 -2  8  42 o 123.3333 3.526157 750.7894       42.52479 708.5571       58.91151 796.7349       61.44684 119.2789 5.057280 126.5317 4.970954 -7.252808      7.091295 
1 1 1 -2  8  43 o 58.94379 4.384496 173.1676       25.11553 134.8477       35.16246 213.0809       35.88604 51.14511 7.224712 65.03977 5.694279 -13.89466      9.198983 
1 1 1 -2  8  44 o 66.07578 4.020166 216.9783       25.87811 227.8576       37.35286 206.9369       35.88557 67.20160 5.733261 64.00119 5.790895 3.200409       8.148911 
1 1 1 -2  8  45 o 101.6975 5.122266 518.0239       50.82510 518.0239       50.82510 0.000000       0.000000 101.6975 5.122266 ?        ?        ?              ?        
1 1 1 -2  8  46 o 54.28096 4.881828 148.4668       25.66118 149.7831       29.27445 144.1000       53.31974 54.28469 5.589197 50.69952 11.05650 3.585178       12.38892 
1 1 1 -2  8  47 o 47.09243 6.126756 114.4592       27.57261 104.3822       32.74786 139.0000       51.10490 44.22866 7.851970 49.56652 10.83630 -5.337856      13.38204 
1 1 1 -2  8  48 o 47.82926 5.243366 116.8749       24.14575 122.2245       27.91927 101.0000       48.09481 48.62070 5.993164 41.50443 11.46124 7.116268       12.93360 
1 1 1 -2  8  49 o 41.70385 6.524781 91.51424       25.76230 83.20898       31.65693 107.8000       44.32988 38.81602 8.562268 43.18631 10.57322 -4.370285      13.60534 
1 1 1 -2  8  50 o 44.40809 6.171466 103.1157       26.10210 121.7332       32.42351 68.83000       44.00030 47.82500 7.145005 34.41933 11.30227 13.40568       13.37132 
1 1 1 -2  8  51 o 53.97913 5.536913 150.1893       28.84076 171.7644       36.79179 115.8000       46.45006 57.11595 6.708684 44.32425 10.80564 12.79169       12.71882 
1 1 1 -2  8  52 o 49.44172 5.932423 127.5342       28.13724 123.2162       35.26393 135.1000       46.67878 47.53257 7.853387 48.21281 10.20955 -0.6802444     12.88063 
1 1 1 -2  8  53 o 26.25079 7.501322 37.86640       20.23598 39.29739       23.01975 33.00000       42.45084 26.67948 8.102999 27.03071 10.73908 -0.3512287     13.45312 
1 1 1 -2  8  54 o 25.09633 7.493457 34.65714       19.80891 33.38235       22.44390 39.15000       42.13485 24.76721 8.068413 27.81417 10.80376 -3.046968      13.48408 
1 1 1 -2  8  55 o 66.21279 3.908591 221.3193       25.21924 209.6648       28.60451 262.0000       53.44205 64.07059 4.591540 68.82509 8.086990 -4.754501      9.299551 
1 1 1 -2  8  56 o 28.15437 7.854709 44.66219       22.46236 44.66219       22.46236 0.000000       0.000000 28.15437 7.854709 ?        ?        ?              ?        
1 1 1 -2  8  57 o 31.59818 6.745723 54.74596       20.22888 42.91510       22.41010 106.8000       47.00703 27.55894 7.900053 41.09985 11.32364 -13.54090      13.80708 
1 1 1 -2  8  58 o 35.51357 7.151930 69.71351       24.00049 74.90777       28.02673 55.43000       46.47589 36.30020 8.094234 30.63652 11.47881 5.663679       14.04563 
1 1 1 -2  8  59 o 40.96109 5.716356 88.85610       22.29568 83.80771       24.67613 111.3000       52.02950 39.25042 6.660683 40.97395 12.12229 -1.723526      13.83165 
1 1 1 -2  8  60 o 18.59870 7.352328 13.17083       19.80486 9.680048       21.98351 28.21000       45.62969 18.36989 7.569749 25.99208 10.82549 -7.622190      13.20955 
1 1 1 -2  8  61 f 37.58780 6.059679 76.16591       21.53682 66.11227       23.93651 118.9000       49.34992 34.24528 7.360148 42.50419 11.55897 -8.258915      13.70334 
1 1 1 -2  8  62 o 25.05682 8.134500 36.05106       22.82374 34.38326       25.93402 41.78000       48.06572 24.67918 8.668601 27.63472 11.26806 -2.955534      14.21667 
1 1 1 -2  9  1  o 271.0652 5.295657 3601.078       140.5076 3150.000       257.0545 3793.275       167.7924 252.8032 10.41038 278.1358 6.163242 -25.33261      12.09800 
1 1 1 -2  9  2  o 613.8467 11.45358 18559.62       688.1888 17160.00       1300.333 19104.17       811.0919 584.3698 22.77683 622.0895 13.32020 -37.71979      26.38583 
1 1 1 -2  9  3  o 207.6768 4.221609 2112.591       85.81680 2028.000       167.8413 2142.533       99.85619 203.0461 8.463524 209.1141 4.878491 -6.067947      9.768874 
1 1 1 -2  9  4  o 283.4504 6.359712 3939.224       176.4496 4214.000       319.1022 3818.206       211.7708 292.4136 11.16928 278.8323 7.766765 13.58130       13.60425 
1 1 1 -2  9  5  o 446.3932 8.398347 9780.041       366.9590 10730.00       782.4819 9512.212       415.4809 465.1634 17.21522 440.0399 9.646123 25.12347       19.73351 
1 1 1 -2  9  6  o 401.5393 7.579964 7907.261       297.9212 8282.000       615.2432 7792.477       340.5052 409.3528 15.38212 398.4805 8.729923 10.87225       17.68675 
1 1 1 -2  9  7  o 380.1288 10.21645 7100.165       379.7895 7167.000       540.5355 7035.000       533.7361 381.1464 14.51512 377.6252 14.46649 3.521118       20.49312 
1 1 1 -2  9  8  o 284.3595 7.782568 3966.981       216.4155 4032.000       309.7845 3905.000       302.4624 286.3308 11.07401 281.7893 10.98686 4.541504       15.59952 
1 1 1 -2  9  9  o 601.1837 12.92593 17761.43       760.6331 18236.98       949.5814 16910.00       1270.605 608.3182 15.96138 583.8320 22.27480 24.48621       27.40315 
1 1 1 -2  9  10 o 411.3661 7.771911 8293.502       312.9410 8656.278       457.6817 7974.986       428.8543 419.8114 11.14776 402.9745 10.88238 16.83694       15.57879 
1 1 1 -2  9  11 o 290.9090 5.636667 4144.812       160.5040 4300.669       232.5939 4003.127       221.7668 296.1093 8.032326 285.6823 7.938313 10.42706       11.29314 
1 1 1 -2  9  12 o 529.7295 14.03932 13806.11       727.3165 0.000000       0.000000 13806.11       727.3165 ?        ?        529.7295 14.03932 ?              ?        
1 1 1 -2  9  13 o 111.6663 3.303368 610.9622       36.06681 566.6000       56.80870 640.9179       46.68182 107.4226 5.420240 114.3358 4.178209 -6.913231      6.843715 
1 1 1 -2  9  14 o 442.8957 9.624104 9622.459       417.2228 9927.403       521.8173 9082.000       694.6885 449.4325 11.87212 428.9894 16.57506 20.44305       20.38823 
1 1 1 -2  9  15 o 301.8319 6.761734 4464.094       199.7696 4395.000       344.0332 4499.241       245.3752 298.8888 11.78247 302.8130 8.286255 -3.924225      14.40446 
1 1 1 -2  9  16 o 340.8238 9.240561 5703.052       307.9878 5695.000       436.9955 5711.000       434.1396 340.0337 13.15433 340.5290 13.04889 -0.4953003     18.52862 
1 1 1 -2  9  17 o 232.6073 5.424202 2650.492       123.4996 2636.000       214.1964 2657.709       151.1537 231.5585 9.470271 232.7756 6.640780 -1.217041      11.56659 
1 1 1 -2  9  18 o 585.6613 15.55751 16946.34       891.0622 15940.00       1205.136 18160.00       1323.464 565.4218 21.81589 603.2390 22.45303 -37.81714      31.30610 
1 1 1 -2  9  19 o 209.4791 4.315413 2149.288       88.48492 2004.832       119.6839 2323.436       131.4095 202.1508 6.055416 217.6249 6.175203 -15.47409      8.648768 
1 1 1 -2  9  20 o 296.4641 5.756859 4308.252       167.0567 4089.358       227.9963 4562.003       245.4790 288.5033 8.081628 304.7098 8.237971 -16.20654      11.54023 
1 1 1 -2  9  21 o 316.7970 7.071980 4925.113       219.2948 4722.000       370.2231 5034.894       272.1810 309.1208 12.26002 319.9695 8.698535 -10.84872      15.03239 
1 1 1 -2  9  22 o 329.2489 7.327986 5323.059       236.1648 5055.000       396.1268 5470.876       294.1591 319.5551 12.68956 333.3853 9.022548 -13.83014      15.57021 
1 1 1 -2  9  23 o 258.8307 5.131130 3284.624       129.9975 3252.060       182.5316 3318.143       185.1856 257.2131 7.257266 259.8104 7.289101 -2.597260      10.28586 
1 1 1 -2  9  24 o 286.8861 5.609421 4037.418       157.5193 4032.819       222.5955 4042.032       222.9368 286.2790 7.951361 286.6055 7.954468 -0.3264771     11.24712 
1 1 1 -2  9  25 o 236.4044 4.773048 2740.308       110.4479 2769.286       157.2489 2712.093       155.1658 237.3305 6.775988 234.8681 6.756433 2.462402       9.568876 
1 1 1 -2  9  26 o 229.4148 4.667162 2580.842       104.8046 2657.165       150.8168 2509.565       145.7456 232.4590 6.635009 225.9111 6.598073 6.547943       9.357238 
1 1 1 -2  9  27 o 219.9559 4.527315 2372.430       97.47258 2423.331       139.6244 2324.041       136.1358 221.9910 6.432475 217.3963 6.404539 4.594681       9.077161 
1 1 1 -2  9  28 o 120.9424 3.788894 717.6112       44.79827 782.8849       57.28031 614.8000       71.88800 126.2541 4.642951 111.6405 6.608083 14.61360       8.076122 
1 1 1 -2  9  29 f 331.5512 6.414986 5404.091       208.1865 5332.667       291.4984 5478.452       297.4316 328.4974 9.074324 332.9390 9.135384 -4.441650      12.87628 
1 1 1 -2  9  30 o 99.49320 3.341831 485.6592       32.49881 490.8529       45.46309 480.2319       46.47409 99.90900 4.661731 98.80350 4.819975 1.105499       6.705513 
1 1 1 -2  9  31 o 95.90787 4.833624 452.6880       45.23046 0.000000       0.000000 452.6880       45.23046 ?        ?        95.90787 4.833624 ?              ?        
1 1 1 -2  9  32 o 222.9377 5.378332 2442.998       117.3646 2468.000       206.8745 2431.131       142.5200 222.8618 9.505253 222.0660 6.563938 0.7958527      11.55141 
1 1 1 -2  9  33 o 185.7446 4.077698 1693.316       74.13740 1641.672       103.1060 1748.599       106.6774 182.5406 5.777842 188.3941 5.791819 -5.853546      8.180991 
1 1 1 -2  9  34 o 334.7957 7.538306 5548.123       247.0358 5530.981       301.6968 5583.000       430.3398 333.2054 9.259204 331.7101 13.28084 1.495392       16.18992 
1 1 1 -2  9  35 o 172.9617 4.529385 1472.236       76.61638 1421.858       91.90675 1587.000       138.7172 169.7423 5.539021 178.5688 7.956289 -8.826462      9.694498 
1 1 1 -2  9  36 o 49.50042 5.125297 122.0749       24.47443 108.5000       40.20212 130.0686       30.85003 45.74623 9.295529 50.88627 6.330148 -5.140034      11.24623 
1 1 1 -2  9  37 o 109.4422 3.885196 589.9094       41.55416 601.9575       51.60875 567.7000       70.07031 110.3767 4.788221 106.6842 6.744604 3.692474       8.271441 
1 1 1 -2  9  38 o 120.3451 3.422773 712.6529       40.27832 648.3605       55.19512 785.8921       58.91052 114.4467 4.938722 126.0645 4.782799 -11.61781      6.875037 
1 1 1 -2  9  39 o 100.9893 3.414382 502.3526       33.70300 513.6876       48.12619 491.4434       47.21341 101.7971 4.843815 99.55962 4.859480 2.237480       6.861275 
1 1 1 -2  9  40 o 182.0264 4.082798 1635.870       72.74423 1607.291       102.1643 1665.259       103.6026 179.5338 5.821317 182.7587 5.798773 -3.224991      8.216660 
1 1 1 -2  9  41 o 81.90197 3.612026 331.4111       28.88564 340.1539       41.40245 323.1195       40.31998 82.58180 5.147549 80.48035 5.145230 2.101456       7.278094 
1 1 1 -2  9  42 o 55.93088 4.417741 155.9445       23.98941 143.7945       34.02746 167.9509       33.82574 53.06270 6.700517 57.60102 6.091630 -4.538322      9.055655 
1 1 1 -2  9  43 o 48.06941 6.036277 117.5985       27.77703 100.0943       32.98246 160.3000       51.51494 43.65937 8.013108 54.67508 9.993978 -11.01570      12.80974 
1 1 1 -2  9  44 o 72.24091 4.530081 260.3824       31.87158 260.3824       31.87158 0.000000       0.000000 72.24091 4.530081 ?        ?        ?              ?        
1 1 1 -2  9  45 o 52.33942 4.932817 137.9162       24.97342 136.3583       28.61175 142.9000       51.17398 51.78812 5.740569 50.93885 10.60853 0.8492775      12.06214 
1 1 1 -2  9  46 o 52.27900 6.811728 141.7175       34.02892 141.7175       34.02892 0.000000       0.000000 52.27900 6.811728 ?        ?        ?              ?        
1 1 1 -2  9  47 o 82.44875 3.804421 338.6711       30.62010 320.7817       34.86567 399.0000       64.02699 79.96760 4.472098 87.31910 7.565715 -7.351501      8.788612 
1 1 1 -2  9  48 o 81.70110 3.684436 332.7636       29.38909 324.3042       33.78092 359.1000       59.60454 80.38476 4.309051 82.62559 7.449776 -2.240829      8.606224 
1 1 1 -2  9  49 o 46.72683 5.125203 111.7150       23.05717 141.9972       27.22176 34.83000       43.37535 52.63993 5.357761 27.92801 10.92900 24.71192       12.17164 
1 1 1 -2  9  50 o 43.96803 8.273781 106.1476       34.30156 150.6000       53.75761 75.62000       44.54913 50.53374 11.16595 35.77077 11.34048 14.76297       15.91493 
1 1 1 -2  9  51 o 36.95733 6.934194 73.39710       24.16321 59.87727       28.77891 105.7000       44.48457 32.58652 8.812343 42.28998 10.73076 -9.703457      13.88548 
1 1 1 -2  9  52 o 35.43182 6.252270 66.75471       20.89150 59.76439       23.66747 91.42000       44.45765 32.95673 7.505266 38.87146 11.12205 -5.914722      13.41749 
1 1 1 -2  9  53 o 75.13349 4.495947 286.4087       32.91319 271.4236       40.56036 315.3000       56.31913 72.31031 5.778586 76.40109 7.633025 -4.090782      9.573668 
1 1 1 -2  9  54 o 25.19237 8.561665 34.43032       25.21605 41.20941       31.61633 22.58000       41.80140 27.29726 9.572587 24.98390 10.37984 2.313358       14.12004 
1 1 1 -2  9  55 o 64.12452 4.426696 209.5002       27.61447 209.5002       27.61447 0.000000       0.000000 64.12452 4.426696 ?        ?        ?              ?        
1 1 1 -2  9  56 o 27.08340 7.300684 40.89457       19.79047 40.01013       22.10923 44.46000       44.39118 26.67873 7.904514 28.71048 11.10642 -2.031752      13.63209 
1 1 1 -2  9  57 o 38.47570 6.454137 79.89964       23.44705 94.21751       27.21546 38.67000       46.18291 41.56720 6.933010 27.81669 11.15107 13.75051       13.13061 
1 1 1 -2  9  58 o 50.03617 4.673238 128.7527       22.62328 123.6094       25.34699 148.9000       50.16670 48.62242 5.417705 49.29399 10.70447 -0.6715736     11.99739 
1 1 1 -2  9  59 o 27.27752 7.442853 41.94471       20.42117 33.69722       22.66984 77.44000       47.02980 24.64640 8.113629 34.59990 11.69304 -9.953501      14.23229 
1 1 1 -2  9  60 o 21.58530 7.561069 24.25526       19.72154 17.44334       21.87448 53.84000       45.58656 20.09530 7.790216 30.01817 11.34224 -9.922874      13.75987 
1 1 1 -2  9  61 f 34.87861 6.273979 66.29441       20.63200 48.21889       22.66740 153.6000       49.81697 28.91398 7.821589 49.56655 10.58952 -20.65256      13.16492 
1 1 1 -2  9  62 o 18.17744 7.574557 9.191328       22.35546 -11.22928      25.46004 77.94000       46.71507 15.75070 7.234489 33.90263 11.64997 -18.15193      13.71349 
1 1 1 -2  10 1  o 473.6112 8.878532 11009.63       411.5943 10130.00       776.0950 11353.85       485.4937 452.0729 17.57228 480.7155 10.31785 -28.64258      20.37752 
1 1 1 -2  10 2  o 310.9064 5.986768 4736.850       182.1916 4276.000       339.7968 4922.795       215.8400 294.6203 11.80676 316.8790 6.958766 -22.25873      13.70489 
1 1 1 -2  10 3  o 183.4617 3.847572 1648.104       69.09370 1700.000       141.1141 1631.740       79.24224 186.0236 7.766984 182.5336 4.435143 3.490021       8.944078 
1 1 1 -2  10 4  o 253.6735 5.770337 3152.701       143.2790 2916.000       236.3631 3290.205       180.1512 243.5132 9.937205 258.9786 7.113423 -15.46547      12.22084 
1 1 1 -2  10 5  f 615.4120 13.23498 18630.04       797.2516 19010.00       1400.459 18447.87       969.7220 618.0092 23.19211 611.4099 16.21781 6.599365       28.30003 
1 1 1 -2  10 6  o 377.5039 7.163229 6984.173       264.6894 7612.000       560.9323 6804.334       300.2150 392.9898 14.60762 372.5300 8.233130 20.45981       16.76803 
1 1 1 -2  10 7  o 167.6490 5.025596 1377.649       82.37666 0.000000       0.000000 1377.649       82.37666 ?        ?        167.6490 5.025596 ?              ?        
1 1 1 -2  10 8  o 233.9367 6.550354 2683.157       149.8448 0.000000       0.000000 2683.157       149.8448 ?        ?        233.9367 6.550354 ?              ?        
1 1 1 -2  10 9  o 314.1697 6.984616 4836.038       214.7895 4918.000       376.4801 4796.485       261.5290 316.2282 12.18565 312.6788 8.553096 3.549408       14.88776 
1 1 1 -2  10 10 o 685.1340 12.76010 23059.81       855.7281 24140.91       1254.825 22119.95       1169.989 699.3805 18.34588 669.5912 17.86710 29.78925       25.60868 
1 1 1 -2  10 11 o 478.6709 12.72600 11264.56       595.7303 0.000000       0.000000 11264.56       595.7303 ?        ?        478.6709 12.72600 ?              ?        
1 1 1 -2  10 12 o 182.8600 5.470741 1639.151       97.80979 1498.000       128.3029 1835.000       151.1317 174.6694 7.521982 193.3169 8.004240 -18.64746      10.98399 
1 1 1 -2  10 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  10 14 o 349.9508 6.678750 6000.815       228.7749 5765.823       314.7155 6264.133       333.1434 342.7024 9.390839 357.1981 9.536842 -14.49570      13.38429 
1 1 1 -2  10 15 o 510.3901 11.06340 12793.93       552.7097 12989.64       685.4032 12430.00       934.6271 513.6328 13.64495 500.9947 19.09390 12.63809       23.46831 
1 1 1 -2  10 16 o 194.1521 4.720494 1846.149       89.70895 1952.000       162.2810 1799.568       107.6533 199.3186 8.336300 191.5686 5.747621 7.750061       10.12566 
1 1 1 -2  10 17 o 168.7707 3.689368 1394.711       60.94742 1409.768       86.31122 1379.737       86.07460 169.5582 5.206635 167.7382 5.248942 1.820038       7.393270 
1 1 1 -2  10 18 o 124.1991 3.137493 755.7291       38.11182 685.4428       51.09034 843.9130       57.22665 118.2142 4.423129 131.1844 4.463165 -12.97018      6.283622 
1 1 1 -2  10 19 o 306.5654 8.457629 4618.408       253.5495 4298.000       341.3041 5013.000       378.7602 295.1498 11.83790 318.7224 12.16307 -23.57254      16.97281 
1 1 1 -2  10 20 o 166.9130 4.287523 1365.731       69.99117 1397.000       124.2620 1351.201       84.70602 168.5286 7.552023 165.9566 5.221004 2.571960       9.181065 
1 1 1 -2  10 21 o 383.9157 7.295091 7236.621       274.1403 7008.966       378.8273 7486.907       397.2116 377.1009 10.27264 389.7154 10.42217 -12.61444      14.63383 
1 1 1 -2  10 22 f 97.28962 3.008329 463.9663       28.61382 446.7440       39.58149 482.8191       41.41272 95.38940 4.249889 99.17149 4.276244 -3.782097      6.028915 
1 1 1 -2  10 23 o 119.4025 3.742187 699.1467       43.68261 692.3000       78.30084 702.2404       52.63469 118.5463 6.776185 119.6134 4.503626 -1.067169      8.136297 
1 1 1 -2  10 24 o 278.9988 5.487446 3818.758       149.8576 4039.797       220.1357 3627.854       204.5797 286.4938 7.857408 271.5124 7.705593 14.98138       11.00523 
1 1 1 -2  10 25 o 231.9575 4.697836 2638.280       106.6627 2580.140       148.6683 2699.952       153.1176 229.0752 6.637312 234.3306 6.682421 -5.255356      9.418529 
1 1 1 -2  10 26 o 240.0720 4.848703 2826.897       113.9393 2873.151       163.3216 2783.040       159.0328 241.6582 6.911660 237.8486 6.838032 3.809601       9.722640 
1 1 1 -2  10 27 o 104.9556 4.565195 541.2537       46.78765 544.6000       70.35272 538.6000       62.65050 105.0186 6.881893 104.5298 6.150377 0.4888611      9.229712 
1 1 1 -2  10 28 f 108.8729 3.246934 581.2748       34.56319 631.8617       50.10820 535.3616       47.73740 113.4132 4.522835 104.3641 4.685006 9.049126       6.511937 
1 1 1 -2  10 29 o 186.6044 4.059819 1707.430       74.15403 1781.707       107.2370 1639.368       102.6524 190.3513 5.762129 182.5841 5.750983 7.767197       8.141004 
1 1 1 -2  10 30 o 233.1286 5.487942 2670.113       125.2309 2853.000       223.6017 2586.530       151.1627 239.8723 9.542375 229.1295 6.747312 10.74274       11.68688 
1 1 1 -2  10 31 o 299.9075 5.877349 4423.389       172.5341 4427.756       244.0696 4419.026       243.9306 299.2102 8.341709 298.9135 8.345258 0.2966614      11.79947 
1 1 1 -2  10 32 o 125.2570 4.004472 770.6058       49.03376 787.8000       89.76538 763.2935       58.53894 126.1310 7.301995 124.5622 4.810268 1.568733       8.744016 
1 1 1 -2  10 33 o 178.8136 4.640389 1572.128       81.15102 1515.000       140.5217 1600.714       99.40203 174.6629 8.242586 180.2349 5.641378 -5.572052      9.988262 
1 1 1 -2  10 34 o 174.0518 4.554123 1490.366       77.52042 1610.000       142.2531 1439.832       92.45457 179.9125 8.098580 170.8612 5.535440 9.051300       9.809592 
1 1 1 -2  10 35 o 94.79322 3.316603 441.5551       30.72610 409.0281       42.71397 476.4358       44.23232 91.02384 4.811203 98.29038 4.610355 -7.266541      6.663561 
1 1 1 -2  10 36 o 85.91186 3.998096 363.7762       33.52895 341.6163       40.09604 415.3000       61.13954 83.09038 4.952443 91.20383 6.899799 -8.113449      8.493169 
1 1 1 -2  10 37 o 120.4650 4.777333 717.1811       56.21995 661.0000       75.00862 789.2000       84.92574 115.1042 6.686323 125.7192 6.928097 -10.61495      9.628366 
1 1 1 -2  10 38 o 72.60159 4.077082 260.5544       28.85714 272.6173       37.10872 242.1000       45.89878 74.05331 5.151594 69.34135 6.851896 4.711960       8.572479 
1 1 1 -2  10 39 f 71.05827 3.630410 249.3362       25.16719 239.5754       36.89278 257.8320       34.41936 69.25312 5.487289 71.99959 4.913342 -2.746468      7.365546 
1 1 1 -2  10 40 o 36.95980 5.985983 69.79514       20.91561 55.33665       31.55138 81.12981       27.93581 32.44870 9.396087 39.50998 7.497703 -7.061283      12.02090 
1 1 1 -2  10 41 o 79.14284 3.725884 309.7984       28.78235 299.2147       33.01719 343.3000       58.74283 77.62469 4.363004 82.10463 7.388327 -4.479942      8.580396 
1 1 1 -2  10 42 o 36.20942 6.523352 67.83331       22.27031 70.17127       25.11779 59.24000       48.15511 36.63842 7.260607 34.18540 11.82473 2.453014       13.87590 
1 1 1 -2  10 43 o 26.74355 8.536915 36.48977       25.20938 36.48977       25.20938 0.000000       0.000000 26.74355 8.536915 ?        ?        ?              ?        
1 1 1 -2  10 44 o 93.83056 3.600495 435.9145       33.00701 435.5749       38.27404 436.9000       65.19891 93.60416 4.187976 92.32545 7.273306 1.278709       8.392861 
1 1 1 -2  10 45 o 101.1686 4.075392 509.0765       40.27464 498.0582       48.64149 533.1000       71.82362 99.66302 5.002156 101.7975 7.255721 -2.134460      8.812891 
1 1 1 -2  10 46 o 77.17329 3.851293 296.5636       29.00049 303.5641       33.43524 275.3000       58.27180 77.87737 4.404135 72.07535 8.418062 5.802025       9.500535 
1 1 1 -2  10 47 o 47.00967 5.337924 113.0026       24.12775 112.0797       27.48820 116.1000       50.35848 46.47829 6.196358 44.60281 11.47053 1.875488       13.03717 
1 1 1 -2  10 48 o 59.12235 4.163288 175.6025       23.93914 164.5622       27.33850 211.9000       49.57024 56.91883 4.956335 62.76032 8.270260 -5.841496      9.641704 
1 1 1 -2  10 49 o 59.00661 6.484139 181.8066       36.83426 179.9000       55.57890 183.3000       49.18770 56.01837 10.52243 57.66179 9.009477 -1.643417      13.85252 
1 1 1 -2  10 50 o 19.27183 7.338447 15.13289       19.17220 3.532920       21.64044 57.46000       41.33776 17.31796 7.347610 31.89034 10.95896 -14.57238      13.19417 
1 1 1 -2  10 51 o 52.99038 4.392097 142.3170       22.57666 133.9813       25.59875 171.5000       47.89734 51.05816 5.194334 55.31245 9.167555 -4.254284      10.53685 
1 1 1 -2  10 52 o 58.44943 4.655579 174.0012       26.41550 159.5683       30.79459 214.2000       51.39317 55.38749 5.764341 62.10913 8.691237 -6.721645      10.42906 
1 1 1 -2  10 53 o 29.73899 7.726171 49.38248       22.69090 38.30836       26.23954 82.22000       45.18424 26.38978 8.730903 36.48061 11.40153 -10.09083      14.36049 
1 1 1 -2  10 54 o 56.49927 4.952154 164.2502       27.11029 164.2502       27.11029 0.000000       0.000000 56.49927 4.952154 ?        ?        ?              ?        
1 1 1 -2  10 55 o 29.88346 8.329282 51.06263       25.27145 45.97030       30.38902 62.48000       45.50317 28.32652 9.396794 32.08770 11.46204 -3.761177      14.82154 
1 1 1 -2  10 56 o 38.41282 8.588637 84.87259       31.48124 54.12000       43.37651 119.1000       45.76156 30.34101 11.14100 43.97168 10.72868 -13.63067      15.46694 
1 1 1 -2  10 57 o 41.47697 5.316005 90.03710       21.08679 96.65431       23.71216 65.02000       46.10545 42.73052 5.820419 32.39090 11.54123 10.33962       12.92583 
1 1 1 -2  10 58 o 21.48038 7.537154 23.69260       19.60242 17.92293       21.69556 49.34000       45.74221 20.25655 7.783280 29.48158 11.30821 -9.225029      13.72790 
1 1 1 -2  10 59 o 49.59623 4.685283 126.7980       22.47566 123.4927       25.02254 140.6000       51.13295 48.57415 5.351407 47.10202 11.24636 1.472126       12.45465 
1 1 1 -2  10 60 o 50.29044 4.690123 130.6255       22.82124 127.8377       25.57971 141.5000       50.52116 49.34538 5.383132 47.15389 11.12660 2.191494       12.36039 
1 1 1 -2  10 61 f 40.31331 5.628328 86.63069       21.60470 81.58772       24.00837 108.1000       49.53687 38.53515 6.602423 39.90875 11.83374 -1.373596      13.55099 
1 1 1 -2  10 62 o 17.00112 7.296231 4.270054       21.77803 30.32876       24.77229 -84.40000      45.69601 23.49525 8.449467 15.70607 7.793161 7.789184       11.49464 
1 1 1 -2  11 1  o 640.9272 11.92574 20180.44       748.1701 18200.00       1387.838 20991.78       888.3015 604.9661 23.48156 653.2458 13.89241 -48.27966      27.28338 
1 1 1 -2  11 2  o 351.3412 6.699410 6048.411       230.3943 5438.000       428.1649 6297.187       273.3409 332.3262 13.18875 358.4202 7.791229 -26.09399      15.31817 
1 1 1 -2  11 3  o 631.0869 11.72547 19559.46       724.3119 18810.00       1408.567 19828.88       844.5220 615.2795 23.43113 635.0429 13.58631 -19.76337      27.08516 
1 1 1 -2  11 4  o 333.2528 6.370997 5440.713       207.8201 5561.000       421.9490 5402.189       238.7917 336.1625 12.84708 332.0165 7.347732 4.146027       14.79989 
1 1 1 -2  11 5  o 355.3835 7.809269 6190.090       271.6526 6400.000       481.7356 6092.220       328.9408 360.5669 13.67428 352.3089 9.547474 8.258057       16.67753 
1 1 1 -2  11 6  f 665.4318 17.57347 21841.20       1143.634 23460.00       1702.456 20510.00       1543.837 686.7991 25.36804 642.4183 24.59691 44.38086       35.33476 
1 1 1 -2  11 7  o 279.9239 6.283663 3838.390       172.1706 3542.000       284.1628 4010.304       216.4170 268.4430 10.83684 285.9528 7.739096 -17.50980      13.31656 
1 1 1 -2  11 8  o 419.5783 11.18910 8647.019       459.1202 0.000000       0.000000 8647.019       459.1202 ?        ?        419.5783 11.18910 ?              ?        
1 1 1 -2  11 9  o 278.4399 7.645531 3802.460       208.1776 0.000000       0.000000 3802.460       208.1776 ?        ?        278.4399 7.645531 ?              ?        
1 1 1 -2  11 10 o 633.2418 13.60502 19713.50       843.2859 0.000000       0.000000 19713.50       843.2859 ?        ?        633.2418 13.60502 ?              ?        
1 1 1 -2  11 11 o 414.2694 11.10233 8431.188       449.7916 8475.000       638.3913 8388.000       633.8360 414.5513 15.76138 412.4212 15.72992 2.130066       22.26772 
1 1 1 -2  11 12 f 499.0190 13.27791 12251.98       647.9882 0.000000       0.000000 12251.98       647.9882 ?        ?        499.0190 13.27791 ?              ?        
1 1 1 -2  11 13 o 231.1348 5.403044 2616.710       122.2391 2668.875       150.8635 2517.000       208.5754 233.2873 6.613407 226.3071 9.436541 6.980240       11.52326 
1 1 1 -2  11 14 o 372.7358 10.07371 6824.743       367.1964 6789.000       517.4513 6861.000       521.1567 371.0681 14.27316 373.0283 14.29965 -1.960205      20.20404 
1 1 1 -2  11 15 o 266.6007 6.083945 3482.726       158.7643 3560.543       196.8734 3338.000       268.4858 269.3775 7.473765 260.4782 10.55221 8.899292       12.93083 
1 1 1 -2  11 16 o 345.3109 9.412117 5859.061       317.8328 6542.000       483.9272 5341.000       421.4820 364.1242 13.60155 329.0546 13.11219 35.06964       18.89264 
1 1 1 -2  11 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  11 18 o 220.4558 6.438461 2385.201       138.7856 2291.000       191.2459 2490.000       201.7174 215.7566 9.075965 224.9335 9.181146 -9.176880      12.90994 
1 1 1 -2  11 19 o 410.4010 7.761515 8269.306       311.7892 7866.309       425.4974 8736.606       458.1884 399.5186 10.89078 420.9911 11.12874 -21.47250      15.57106 
1 1 1 -2  11 20 o 234.7953 4.711502 2701.645       108.2817 2700.998       152.8968 2702.296       153.3712 234.5183 6.667398 234.5724 6.686579 -0.5407715E-01 9.442698 
1 1 1 -2  11 21 o 230.2916 4.644015 2599.274       104.6834 2445.308       142.3314 2780.706       154.5063 223.1176 6.524201 237.9244 6.640888 -14.80679      9.309489 
1 1 1 -2  11 22 o 295.6530 5.751207 4288.132       166.4361 4117.771       228.8060 4479.571       242.5470 289.2751 8.088661 301.6986 8.220936 -12.42349      11.53301 
1 1 1 -2  11 23 o 96.45613 3.018230 456.1092       28.46123 474.0202       40.18197 438.0759       40.31889 98.25870 4.187463 94.43861 4.373545 3.820084       6.054976 
1 1 1 -2  11 24 o 337.2523 6.481398 5586.521       213.9587 5538.638       300.7936 5635.561       304.4053 335.0793 9.179607 337.9918 9.209684 -2.912537      13.00321 
1 1 1 -2  11 25 o 195.6102 4.811015 1876.638       92.11584 1850.000       160.5085 1889.720       112.4838 193.6014 8.490649 196.1028 5.866628 -2.501419      10.32029 
1 1 1 -2  11 26 o 362.4820 8.016571 6470.937       284.4339 6368.587       345.0358 6688.000       502.4753 358.9099 9.830638 365.8980 14.05584 -6.988068      17.15250 
1 1 1 -2  11 27 o 126.0110 3.306933 778.5446       40.75347 843.5132       59.51038 721.1689       55.92481 131.0544 4.646465 121.1577 4.724771 9.896698       6.626696 
1 1 1 -2  11 28 o 170.3268 3.824548 1422.170       63.76310 1465.750       92.18690 1382.197       88.28863 172.6852 5.460773 167.6961 5.385662 4.989105       7.669771 
1 1 1 -2  11 29 o 189.1270 4.682972 1755.320       86.69245 1938.000       156.4514 1674.375       104.1428 198.0350 8.088092 184.4963 5.773914 13.53868       9.937571 
1 1 1 -2  11 30 o 167.7747 4.450783 1382.227       73.02734 1266.000       124.4535 1443.260       90.18577 159.9632 7.973557 171.3103 5.385030 -11.34706      9.621651 
1 1 1 -2  11 31 o 187.0333 4.073906 1716.376       74.58237 1707.183       105.1689 1725.677       105.7846 186.2061 5.777139 187.2124 5.779659 -1.006348      8.171890 
1 1 1 -2  11 32 o 166.0373 3.798891 1352.607       61.74029 1420.574       89.83159 1291.759       84.99679 169.8555 5.410002 161.9710 5.368582 7.884521       7.621666 
1 1 1 -2  11 33 o 186.4223 4.072644 1706.585       74.31567 1768.586       107.4392 1649.708       102.9039 189.3652 5.803223 182.8959 5.755229 6.469315       8.173130 
1 1 1 -2  11 34 o 118.1115 3.931289 686.0182       45.38660 692.8000       83.92883 683.2152       53.95669 118.0116 7.301503 117.7509 4.690778 0.2607651      8.678441 
1 1 1 -2  11 35 o 74.44473 4.171228 273.4158       30.27358 221.8000       55.75402 294.9965       36.05103 66.04333 8.846962 77.24014 4.791952 -11.19681      10.06139 
1 1 1 -2  11 36 o 134.4959 3.478873 889.4974       45.76030 863.2802       63.90219 917.0921       65.55930 132.1788 4.947834 136.2478 4.923948 -4.068985      6.980424 
1 1 1 -2  11 37 o 168.5531 4.496594 1402.429       74.12056 1371.055       89.08564 1473.000       133.6098 166.3109 5.479918 171.1798 7.996162 -4.868851      9.693715 
1 1 1 -2  11 38 o 129.7288 4.074690 830.6033       51.67713 797.5762       61.79813 907.4000       94.23478 126.8567 4.986578 134.4340 7.187494 -7.577293      8.747915 
1 1 1 -2  11 39 o 60.55695 5.902298 184.3739       34.54228 184.3739       34.54228 0.000000       0.000000 60.55695 5.902298 ?        ?        ?              ?        
1 1 1 -2  11 40 o 143.3213 3.642132 1013.637       51.05292 977.6447       57.71978 1143.000       109.4270 140.5614 4.199907 150.2582 7.463483 -9.696762      8.564041 
1 1 1 -2  11 41 f 28.76627 7.432192 43.47063       21.07521 49.05977       23.62392 21.68000       46.64601 30.49782 7.863245 27.48488 11.13977 3.012941       13.63543 
1 1 1 -2  11 42 o 60.98642 4.712605 185.8683       27.91390 185.8683       27.91390 0.000000       0.000000 60.98642 4.712605 ?        ?        ?              ?        
1 1 1 -2  11 43 o 83.34154 3.608461 343.8899       29.36699 326.2033       33.28669 406.0000       62.37783 80.99638 4.213027 89.09542 7.214340 -8.099045      8.354418 
1 1 1 -2  11 44 o 32.79566 7.772303 57.28873       24.56631 40.75362       29.38652 95.66000       44.76594 28.17529 9.235751 41.48457 10.88880 -13.30927      14.27813 
1 1 1 -2  11 45 o 92.19450 3.535188 421.4688       31.84331 413.7765       36.32502 447.0000       66.17757 91.15123 4.081692 93.00771 7.328349 -1.856476      8.388380 
1 1 1 -2  11 46 o 60.24512 4.267781 181.9443       25.00402 175.0389       28.13423 207.9000       54.54494 58.85319 4.929044 61.88597 9.291073 -3.032776      10.51758 
1 1 1 -2  11 47 o 46.06777 5.115587 108.3390       22.67895 104.0579       25.64528 123.7000       48.57785 44.79801 5.999135 46.27668 10.90442 -1.478672      12.44572 
1 1 1 -2  11 48 o 49.73860 7.608841 132.4034       35.86825 91.26000       51.28455 171.8000       50.18408 39.00502 12.14012 55.50480 9.583275 -16.49978      15.46680 
1 1 1 -2  11 49 o 69.32165 3.735706 240.3623       25.25460 226.2080       28.33227 295.1000       55.71617 66.98980 4.344252 74.31355 7.774527 -7.323746      8.905942 
1 1 1 -2  11 50 o 40.24132 5.338833 83.75311       20.51096 64.90482       22.84250 162.2000       46.60104 34.70051 6.967422 53.90032 9.160273 -19.19981      11.50893 
1 1 1 -2  11 51 o 23.84548 7.541131 30.40297       19.71000 24.70858       22.08591 52.68000       43.68381 22.39752 7.987111 30.79320 11.20022 -8.395674      13.75641 
1 1 1 -2  11 52 o 38.15338 5.607471 76.19445       20.31713 77.10748       22.75808 72.61000       45.09259 38.06194 6.330850 34.63872 11.44489 3.423214       13.07919 
1 1 1 -2  11 53 o 63.05578 4.413487 202.1448       27.06837 202.1448       27.06837 0.000000       0.000000 63.05578 4.413487 ?        ?        ?              ?        
1 1 1 -2  11 54 o 51.54837 4.518629 135.8947       22.56929 148.8218       25.47341 88.70000       48.67253 53.76532 4.893951 37.19735 11.86081 16.56796       12.83081 
1 1 1 -2  11 55 f 33.61641 7.964895 63.90991       25.80381 45.45000       31.92071 98.72000       43.83393 28.23318 9.632197 39.89456 10.91221 -11.66138      14.55526 
1 1 1 -2  11 56 o 20.34454 7.666377 18.85828       20.79481 4.257421       23.81322 65.75000       42.67535 17.88235 7.651031 32.64026 11.13721 -14.75791      13.51206 
1 1 1 -2  11 57 o 40.75325 6.776778 90.32681       26.08387 81.88487       31.59376 108.4000       46.22723 37.55696 8.756242 41.43503 11.15300 -3.878071      14.17961 
1 1 1 -2  11 58 o 39.12274 7.144130 84.46013       26.35025 95.68597       31.75691 59.65000       47.21103 41.00504 8.198887 31.26734 11.59780 9.737698       14.20320 
1 1 1 -2  11 59 o 15.65627 6.722398 2.057861       18.50426 3.335869       20.42204 -3.804000      43.73711 16.57640 7.088639 21.58795 9.745330 -5.011547      12.05074 
1 1 1 -2  11 60 o 29.10278 7.089190 47.64215       20.00517 44.83050       22.16609 59.99000       46.45189 27.94024 7.805589 30.94804 11.49950 -3.007803      13.89841 
1 1 1 -2  11 61 o 50.54681 4.575136 132.2106       22.39135 136.1767       24.96574 115.9000       50.62852 50.99751 5.068382 41.14097 11.89924 9.856541       12.93369 
1 1 1 -2  12 1  o 586.4889 12.61601 16896.48       724.2491 16120.00       1212.908 17326.74       902.8809 570.3846 21.76465 593.1398 15.56477 -22.75519      26.75746 
1 1 1 -2  12 2  o 421.1551 7.931647 8693.447       326.9728 8550.000       646.2722 8742.798       379.0679 416.4586 15.88306 422.2453 9.171618 -5.786713      18.34094 
1 1 1 -2  12 3  o 428.2074 8.061835 8987.410       337.9048 8349.000       641.7753 9232.269       397.4577 411.5171 15.96296 433.8886 9.358503 -22.37152      18.50399 
1 1 1 -2  12 4  o 592.0894 15.64666 17266.45       906.0126 16950.00       1264.757 17600.00       1298.500 584.7878 22.13539 595.8536 22.30301 -11.06573      31.42291 
1 1 1 -2  12 5  o 290.5762 7.987410 4141.597       226.9656 3954.000       311.8107 4353.000       331.0041 283.5971 11.25502 297.5685 11.38524 -13.97134      16.00935 
1 1 1 -2  12 6  o 476.0607 10.30433 11119.55       480.1625 10510.00       799.4631 11463.51       600.5446 461.3659 17.73603 482.8869 12.71662 -21.52094      21.82382 
1 1 1 -2  12 7  o 661.3337 12.28844 21482.73       795.4697 20190.00       1520.593 21969.80       933.3736 637.2932 24.42148 668.3687 14.26702 -31.07550      28.28350 
1 1 1 -2  12 8  o 120.0856 4.100604 706.8751       48.12905 0.000000       0.000000 706.8751       48.12905 ?        ?        120.0856 4.100604 ?              ?        
1 1 1 -2  12 9  o 233.6815 9.499757 2683.000       216.8386 0.000000       0.000000 2683.000       216.8386 ?        ?        233.6815 9.499757 ?              ?        
1 1 1 -2  12 10 o 352.0264 6.706878 6072.032       231.1010 6085.000       464.0819 6067.756       266.4936 351.5191 13.51292 351.8344 7.738241 -0.3153076     15.57175 
1 1 1 -2  12 11 o 97.43336 3.667402 465.4405       34.91375 0.000000       0.000000 465.4405       34.91375 ?        ?        97.43336 3.667402 ?              ?        
1 1 1 -2  12 12 o 330.1509 6.335825 5340.714       204.7491 4964.000       391.3311 5482.712       240.2587 317.5080 12.61680 334.4456 7.339176 -16.93762      14.59613 
1 1 1 -2  12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  12 14 o 403.1352 10.84519 7991.291       427.5623 7695.000       588.7221 8322.000       621.9763 394.6752 15.26807 410.4019 15.51103 -15.72672      21.76479 
1 1 1 -2  12 15 o 286.7816 7.983263 4038.025       223.8800 4405.000       334.7364 3741.000       301.1486 299.0442 11.45686 275.5930 11.18691 23.45123       16.01270 
1 1 1 -2  12 16 o 231.2825 6.679091 2625.103       151.0467 2567.000       210.3132 2687.000       217.0717 228.3962 9.427707 233.6714 9.510421 -5.275192      13.39141 
1 1 1 -2  12 17 o 250.1366 7.110688 3071.987       173.9218 2943.000       239.0704 3217.000       253.4875 244.4377 10.01317 255.5589 10.15371 -11.12114      14.26048 
1 1 1 -2  12 18 o 284.9816 7.940607 3991.182       221.2856 3931.000       309.6436 4054.000       316.3546 282.2420 11.23058 286.6162 11.29845 -4.374176      15.93050 
1 1 1 -2  12 19 o 209.3537 6.216338 2151.890       127.2449 2137.000       179.2981 2167.000       180.6119 208.2932 8.814083 209.7523 8.816637 -1.459137      12.46680 
1 1 1 -2  12 20 o 339.3607 6.514124 5652.223       216.3833 5405.862       296.2225 5934.074       316.8415 331.3083 9.143130 347.0834 9.334616 -15.77515      13.06644 
1 1 1 -2  12 21 o 242.2185 4.838850 2876.186       114.7244 2817.532       159.9971 2938.255       164.5899 239.4408 6.833641 244.5133 6.883779 -5.072556      9.699746 
1 1 1 -2  12 22 o 493.3264 9.287293 11990.52       448.4662 11609.92       618.9088 12411.29       650.7421 483.6854 13.08448 499.9927 13.30838 -16.30737      18.66325 
1 1 1 -2  12 23 o 193.0866 4.061517 1827.210       76.76208 1846.587       109.1113 1808.222       108.0130 193.8864 5.755685 191.8597 5.758082 2.026733       8.141463 
1 1 1 -2  12 24 o 148.3475 4.872789 1080.545       70.66015 1080.545       70.66015 0.000000       0.000000 148.3475 4.872789 ?        ?        ?              ?        
1 1 1 -2  12 25 o 253.4344 5.811331 3153.735       144.1609 3235.357       180.0613 3008.000       240.6006 256.3738 7.182385 246.5288 9.991336 9.845047       12.30502 
1 1 1 -2  12 26 o 341.3329 6.569741 5727.360       219.4990 5929.578       318.1388 5543.646       303.2343 346.3855 9.391862 334.9614 9.257504 11.42407       13.18744 
1 1 1 -2  12 27 o 121.1175 3.614266 719.6093       42.80033 731.8000       71.29515 712.7404       53.51677 121.8952 5.993784 120.4560 4.547110 1.439110       7.523407 
1 1 1 -2  12 28 o 302.3281 6.797714 4498.137       201.1627 4508.000       346.6169 4493.127       247.0195 300.7783 11.79614 301.6166 8.375108 -0.8383484     14.46691 
1 1 1 -2  12 29 o 170.9527 3.815020 1433.026       63.83796 1439.574       90.67484 1426.590       89.89128 171.0925 5.421231 170.3219 5.398707 0.7706604      7.650868 
1 1 1 -2  12 30 o 271.0663 5.393459 3611.426       143.1031 3728.553       207.5741 3505.333       197.5543 274.7069 7.727324 266.3970 7.583909 8.309937       10.82715 
1 1 1 -2  12 31 o 166.1007 3.774143 1353.449       61.36152 1329.124       86.03767 1378.631       87.53838 164.3195 5.356412 167.3560 5.350687 -3.036453      7.571064 
1 1 1 -2  12 32 o 280.0829 6.430240 3869.532       176.2869 3915.950       217.2302 3780.000       301.6941 281.0905 7.903130 274.4046 11.25621 6.685883       13.75361 
1 1 1 -2  12 33 o 140.7598 3.517577 972.3964       48.46503 950.2833       54.93785 1050.000       102.9170 139.0303 4.041264 145.4388 7.252258 -6.408478      8.302232 
1 1 1 -2  12 34 o 105.3968 3.317457 545.7789       34.18202 561.8804       39.16458 494.3000       70.02852 106.8848 3.749250 99.56077 7.235264 7.324013       8.148983 
1 1 1 -2  12 35 o 212.0912 4.462836 2215.266       92.64880 2200.625       106.1742 2262.000       189.6924 211.1764 5.136503 212.0300 9.161625 -0.8535614     10.50329 
1 1 1 -2  12 36 o 87.64190 4.036853 378.9542       34.53766 397.0737       41.82261 340.1000       61.24309 89.57361 4.787462 82.13566 7.707677 7.437950       9.073483 
1 1 1 -2  12 37 o 105.9467 3.967310 553.7449       41.06972 528.1081       49.03443 614.0000       75.17364 103.2543 4.865304 110.6752 6.974666 -7.420891      8.503949 
1 1 1 -2  12 38 o 108.5321 3.974313 581.6985       42.14949 601.1928       51.30055 541.2000       73.94161 110.1224 4.770584 103.5634 7.341777 6.559074       8.755579 
1 1 1 -2  12 39 o 70.46963 4.413719 246.5789       30.29189 243.4262       36.01651 254.2000       55.99775 69.79234 5.312052 70.31895 8.295098 -0.5266113     9.850205 
1 1 1 -2  12 40 o 108.8462 4.842299 589.1923       51.46151 589.1923       51.46151 0.000000       0.000000 108.8462 4.842299 ?        ?        ?              ?        
1 1 1 -2  12 41 o 96.86338 4.894835 467.6542       46.25875 467.6542       46.25875 0.000000       0.000000 96.86338 4.894835 ?        ?        ?              ?        
1 1 1 -2  12 42 o 51.93926 4.586305 135.0026       23.07726 115.6175       25.54891 220.9000       53.78090 47.77741 5.567349 64.98289 8.671419 -17.20548      10.30480 
1 1 1 -2  12 43 o 61.91461 4.504882 191.5644       27.11448 178.3056       31.40377 230.4000       53.74584 59.43369 5.459056 66.32120 8.472363 -6.887512      10.07880 
1 1 1 -2  12 44 o 70.99887 3.857320 250.6142       26.70602 230.3064       29.94300 329.6000       59.05250 67.84914 4.534664 79.73817 7.660110 -11.88903      8.901711 
1 1 1 -2  12 45 o 61.34878 4.235122 188.3391       25.27579 153.3779       28.05558 339.0000       58.24066 54.99043 5.276945 80.72928 7.454515 -25.73885      9.133233 
1 1 1 -2  12 46 o 52.84476 4.720870 141.1644       24.16223 140.2912       27.52214 144.1000       50.46336 52.40899 5.444242 50.45042 10.55841 1.958565       11.87938 
1 1 1 -2  12 47 o 34.06125 9.820888 65.55302       34.53724 142.4000       53.18796 9.528000       45.41412 49.43587 11.24611 24.56207 10.53858 24.87380       15.41222 
1 1 1 -2  12 48 o 25.83102 7.464231 36.05625       19.93022 43.53660       22.06077 2.844000       46.48458 28.22097 7.750304 23.79557 10.43096 4.425400       12.99508 
1 1 1 -2  12 49 o 25.68035 7.205873 35.72787       18.84675 36.41983       20.83341 32.61000       44.22298 25.90680 7.672363 27.49875 10.94922 -1.591948      13.36976 
1 1 1 -2  12 50 o 60.32279 3.952810 182.9555       23.21103 175.7894       26.15713 209.5000       50.34277 58.85985 4.576019 61.75381 8.558259 -2.893967      9.704831 
1 1 1 -2  12 51 o 57.32873 4.592719 167.1894       25.55661 167.1894       25.55661 0.000000       0.000000 57.32873 4.592719 ?        ?        ?              ?        
1 1 1 -2  12 52 o 33.08596 6.780711 59.41457       21.22113 59.41457       21.22113 0.000000       0.000000 33.08596 6.780711 ?        ?        ?              ?        
1 1 1 -2  12 53 o 21.64470 7.359774 24.32228       18.63358 35.98412       20.48043 -31.73000      44.90060 25.47850 7.622220 19.39270 9.137487 6.085802       11.89924 
1 1 1 -2  12 54 o 29.85059 7.286618 49.68096       21.10128 41.45451       24.00378 77.66000       44.26799 27.07145 8.284783 35.14799 11.32198 -8.076534      14.02942 
1 1 1 -2  12 55 o 34.34296 6.208303 63.46105       20.10177 51.57557       22.60426 108.4000       43.95348 30.26475 7.632791 41.96282 10.67667 -11.69807      13.12443 
1 1 1 -2  12 56 o 17.25010 6.992834 9.134834       18.38483 15.17403       20.55334 -15.04000      41.12202 19.32544 7.534563 19.91403 9.164099 -0.5885887     11.86382 
1 1 1 -2  12 57 o 28.48735 7.745409 46.01736       22.16117 53.98597       25.57864 22.03000       44.37899 30.59924 8.321884 25.02715 10.56568 5.572084       13.44944 
1 1 1 -2  12 58 o 46.17958 5.571466 112.3438       24.67570 121.3342       28.65231 86.53000       48.55070 47.55638 6.310864 36.24876 11.87060 11.30761       13.44389 
1 1 1 -2  12 59 o 45.45770 5.489022 108.8122       23.92964 119.0675       27.58869 77.66000       48.08420 47.19078 6.116401 34.42019 11.81975 12.77058       13.30853 
1 1 1 -2  12 60 o 35.86216 7.897424 73.89798       26.97113 73.26584       32.63535 75.26000       47.90386 34.69391 9.385067 33.60801 11.78327 1.085896       15.06403 
1 1 1 -2  12 61 o 33.88430 9.502336 71.22959       32.78368 71.22959       32.78368 0.000000       0.000000 33.88430 9.502336 ?        ?        ?              ?        
1 1 1 -2  13 1  o 349.5914 6.667395 5987.708       228.1514 6013.932       323.8552 5961.870       321.4676 350.0402 9.460741 348.5237 9.431876 1.516479       13.35911 
1 1 1 -2  13 2  o 657.5431 12.21573 21236.51       786.2303 19840.00       1497.172 21768.28       923.8751 631.7899 24.25495 665.3094 14.18677 -33.51959      28.09923 
1 1 1 -2  13 3  o 577.3417 12.44737 16374.62       703.4230 14970.00       1140.617 17236.70       893.5816 549.6646 21.23997 591.5493 15.44574 -41.88470      26.26228 
1 1 1 -2  13 4  o 301.4669 6.733996 4452.848       198.7096 4070.000       324.6617 4682.171       251.2709 287.6764 11.55327 308.9309 8.317060 -21.25458      14.23557 
1 1 1 -2  13 5  o 598.7709 11.15526 17601.00       653.8024 16280.00       1235.812 18114.44       770.4551 572.8856 22.07964 607.1137 12.96496 -34.22809      25.60470 
1 1 1 -2  13 6  o 646.0020 13.87630 20523.31       877.4324 19570.00       1469.117 21051.93       1093.982 627.3849 23.96710 653.2250 17.12442 -25.84003      29.45619 
1 1 1 -2  13 7  o 516.3414 13.69952 13120.23       691.7747 0.000000       0.000000 13120.23       691.7747 ?        ?        516.3414 13.69952 ?              ?        
1 1 1 -2  13 8  o 388.4588 14.84322 7439.000       563.3516 0.000000       0.000000 7439.000       563.3516 ?        ?        388.4588 14.84322 ?              ?        
1 1 1 -2  13 9  o 279.4567 6.312078 3826.311       172.6606 3776.000       296.9881 3851.997       212.2081 277.0927 10.97153 280.2094 7.744437 -3.116669      13.42947 
1 1 1 -2  13 10 o 218.4500 4.434406 2336.819       94.81864 2403.000       195.2578 2316.396       108.4662 221.1420 9.039562 217.4737 5.095437 3.668243       10.37676 
1 1 1 -2  13 11 o 361.6724 7.973319 6414.220       282.2674 7073.000       522.7402 6143.078       335.3618 378.7545 14.12484 353.6508 9.697122 25.10373       17.13316 
1 1 1 -2  13 12 o 376.3441 7.145287 6943.445       263.2152 6494.000       504.2430 7111.780       308.5957 362.7868 14.22738 380.7695 8.279832 -17.98267      16.46129 
1 1 1 -2  13 13 o 327.5300 7.282076 5260.375       233.4600 4874.000       384.9588 5485.147       293.6167 314.4325 12.53290 334.1665 8.984748 -19.73395      15.42074 
1 1 1 -2  13 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  13 15 o 334.9614 9.162538 5515.813       300.1295 6046.000       451.1847 5095.000       401.9614 349.8766 13.19813 321.2287 12.80960 28.64795       18.39230 
1 1 1 -2  13 16 o 360.8163 9.798300 6406.378       345.7331 6384.000       487.6241 6429.000       490.2674 359.2021 13.89504 360.4603 13.92152 -1.258148      19.66929 
1 1 1 -2  13 17 o 456.1237 12.23244 10273.25       545.6443 10390.00       777.5939 10160.00       765.8552 456.6361 17.42908 451.5790 17.35866 5.057098       24.59869 
1 1 1 -2  13 18 o 223.3004 6.531578 2448.813       142.6090 2430.000       200.6959 2468.000       202.6778 222.0548 9.253906 223.7841 9.272840 -1.729294      13.10039 
1 1 1 -2  13 19 o 151.2151 5.138492 1122.366       75.94614 1112.000       106.7241 1133.000       108.0972 150.2938 7.276248 151.7066 7.300965 -1.412766      10.30766 
1 1 1 -2  13 20 o 121.8968 4.819679 729.5616       57.39312 736.2000       81.71900 723.1000       80.62433 122.2507 6.856609 121.1582 6.826010 1.092453       9.675097 
1 1 1 -2  13 21 o 342.7426 9.387987 5792.954       314.6571 5907.000       451.2265 5685.000       439.0096 344.7628 13.39662 338.2554 13.28521 6.507385       18.86707 
1 1 1 -2  13 22 o 176.3098 5.606226 1526.944       96.62756 1534.000       137.1994 1520.000       136.1111 176.3890 7.967038 175.5850 7.940085 0.8040161      11.24805 
1 1 1 -2  13 23 o 93.82022 3.599658 431.9358       32.99571 431.9358       32.99571 0.000000       0.000000 93.82022 3.599658 ?        ?        ?              ?        
1 1 1 -2  13 24 o 222.8070 5.216868 2435.989       113.7745 2435.989       113.7745 0.000000       0.000000 222.8070 5.216868 ?        ?        ?              ?        
1 1 1 -2  13 25 o 229.4971 4.658773 2583.409       104.6538 2451.865       116.1690 3150.000       241.0949 223.5038 5.310053 252.2830 9.781770 -28.77917      11.13013 
1 1 1 -2  13 26 o 79.48279 3.345582 310.1092       25.97041 313.9557       29.41242 296.5000       55.32426 79.94333 3.769355 77.25786 7.406482 2.685471       8.310476 
1 1 1 -2  13 27 o 197.2783 5.929173 1914.345       114.3632 1805.000       153.6920 2050.000       171.1869 191.1072 8.235471 203.5967 8.609442 -12.48949      11.91409 
1 1 1 -2  13 28 o 265.0013 5.267160 3449.289       136.6252 3471.301       157.9862 3384.000       272.0907 265.6885 6.074916 260.8241 10.68020 4.864380       12.28704 
1 1 1 -2  13 29 o 119.8805 4.268462 706.0564       50.00717 706.0564       50.00717 0.000000       0.000000 119.8805 4.268462 ?        ?        ?              ?        
1 1 1 -2  13 30 o 180.2774 3.951200 1594.569       69.72307 1620.459       80.52213 1517.000       139.3793 181.6640 4.528353 174.9424 8.161988 6.721588       9.334025 
1 1 1 -2  13 31 o 200.1903 4.273720 1967.929       83.74430 2009.732       97.46330 1850.000       163.6993 202.1952 4.924523 192.9083 8.691737 9.286835       9.989856 
1 1 1 -2  13 32 o 137.0581 3.449109 922.2819       46.23517 929.4674       52.97231 899.3000       94.73525 137.5251 3.939203 134.6188 7.215882 2.906281       8.221087 
1 1 1 -2  13 33 o 215.7279 4.507319 2289.168       95.17675 2309.173       110.0965 2230.000       189.3468 216.4896 5.195532 211.0677 9.186948 5.421875       10.55432 
1 1 1 -2  13 34 o 134.2383 3.422498 885.5446       44.93364 889.6014       51.31116 872.2000       93.06120 134.4632 3.902672 132.2945 7.213847 2.168625       8.201857 
1 1 1 -2  13 35 o 62.97821 3.639573 195.6481       22.34050 194.3132       24.71920 201.6000       52.19552 62.70383 4.049134 62.80626 8.725664 -0.1024323     9.619391 
1 1 1 -2  13 36 o 28.37442 6.633727 41.67003       18.09264 36.35222       19.70086 70.31000       45.71989 26.55760 7.336071 36.86956 11.46053 -10.31196      13.60741 
1 1 1 -2  13 37 o 100.7504 3.254698 499.7259       32.05483 486.7597       35.85860 551.3000       71.51579 99.34901 3.693860 104.7332 7.016554 -5.384232      7.929479 
1 1 1 -2  13 38 o 53.27419 4.135441 140.9865       21.39601 146.8999       23.83052 116.4000       48.59187 54.30906 4.523906 46.47155 10.87610 7.837505       11.77944 
1 1 1 -2  13 39 o 83.69175 4.794584 348.4978       39.11278 348.4978       39.11278 0.000000       0.000000 83.69175 4.794584 ?        ?        ?              ?        
1 1 1 -2  13 40 o 76.49919 5.000233 292.2043       37.23629 292.2043       37.23629 0.000000       0.000000 76.49919 5.000233 ?        ?        ?              ?        
1 1 1 -2  13 41 o 132.2937 4.038324 867.0818       52.23213 867.0818       52.23213 0.000000       0.000000 132.2937 4.038324 ?        ?        ?              ?        
1 1 1 -2  13 42 o 92.77969 4.911597 430.1144       44.44591 384.4000       57.79167 496.3000       69.53767 86.85215 6.853460 98.51752 7.262126 -11.66537      9.985409 
1 1 1 -2  13 43 o 46.98134 6.155366 113.0780       27.62629 112.8563       32.97638 113.6000       50.59398 46.44959 7.509034 44.98575 11.45968 1.463840       13.70072 
1 1 1 -2  13 44 o 102.1292 3.459103 516.7961       34.52966 531.9894       39.33854 465.8000       72.07085 103.4540 3.891704 94.58015 7.855755 8.873825       8.766884 
1 1 1 -2  13 45 f 84.54082 3.593569 355.2386       29.66928 332.9864       33.15447 444.7000       66.47733 81.63083 4.163113 92.39867 7.412374 -10.76784      8.501458 
1 1 1 -2  13 46 o 73.29544 5.946294 275.7946       42.29477 287.6000       61.81018 265.4000       57.99923 72.88419 8.844846 70.14544 8.628901 2.738747       12.35675 
1 1 1 -2  13 47 o 54.78944 4.246064 151.1749       22.59380 145.4922       25.35325 173.1000       49.80009 53.49722 4.895905 55.81458 9.452430 -2.317368      10.64511 
1 1 1 -2  13 48 o 83.91525 3.514582 351.0937       28.80437 345.4341       32.50335 371.8000       62.17097 83.00410 4.012460 83.54869 7.688399 -0.5445938     8.672446 
1 1 1 -2  13 49 o 15.61232 6.629523 2.311876       17.64249 -4.427333      19.43464 33.88000       42.06262 14.98670 6.649275 27.37617 10.74770 -12.38948      12.63827 
1 1 1 -2  13 50 o 38.66161 5.404652 77.72061       19.89476 66.30662       22.18490 124.6000       44.96035 35.12179 6.697556 46.18931 10.21578 -11.06752      12.21554 
1 1 1 -2  13 51 o 27.98793 6.993442 42.90643       19.10306 42.67143       21.18274 43.93000       44.20902 27.76009 7.582758 29.04974 11.12350 -1.289648      13.46218 
1 1 1 -2  13 52 o 46.60114 5.133709 112.3092       23.02963 112.3092       23.02963 0.000000       0.000000 46.60114 5.133709 ?        ?        ?              ?        
1 1 1 -2  13 53 o 33.94792 6.462186 62.33009       20.68914 70.40977       23.55058 35.01000       43.30576 35.88167 6.956527 27.09176 10.81917 8.789911       12.86265 
1 1 1 -2  13 54 o 19.89903 7.140953 19.26924       17.68315 13.97584       19.44785 44.53000       42.48418 18.79214 7.328421 28.57496 10.91357 -9.782812      13.14579 
1 1 1 -2  13 55 o 22.48287 7.262046 27.27112       18.20418 31.75487       20.23067 8.194000       41.72979 24.02801 7.645088 22.74219 9.928088 1.285822       12.53053 
1 1 1 -2  13 56 o 43.29690 4.835740 97.02557       20.14444 108.9755       22.61694 51.16000       44.30933 45.75762 5.138366 29.71466 11.19220 16.04296       12.31536 
1 1 1 -2  13 57 o 55.24724 4.133560 155.2911       22.19123 143.5120       24.82150 202.2000       49.53370 52.71591 4.865249 59.48771 8.769568 -6.771797      10.02876 
1 1 1 -2  13 58 o 37.97371 5.550003 76.37029       20.01994 72.96571       22.25529 90.81000       45.83321 36.64125 6.440159 37.36249 11.45068 -0.7212448     13.13749 
1 1 1 -2  13 59 o 24.86937 7.310772 34.78057       18.97413 21.79239       20.69929 103.1000       47.47373 20.96316 7.696390 39.52339 11.54910 -18.56024      13.87862 
1 1 1 -2  13 60 o 22.17529 8.229575 25.16422       23.77660 25.16422       23.77660 0.000000       0.000000 22.17529 8.229575 ?        ?        ?              ?        
1 1 1 -2  13 61 o 52.46944 5.022213 144.2847       25.47889 147.6894       29.29141 133.7000       51.64666 52.53236 5.792543 44.31678 11.72599 8.215572       13.07870 
1 1 1 -2  14 1  o 648.4174 12.05496 20654.36       765.1147 19758.00       1047.099 21681.19       1120.720 632.8248 16.91952 662.8125 17.28905 -29.98773      24.19052 
1 1 1 -2  14 2  o 401.7420 8.786729 7914.807       345.5260 7410.000       570.6160 8207.065       434.1754 387.6809 15.06575 408.7334 10.86185 -21.05255      18.57301 
1 1 1 -2  14 3  o 552.3096 11.90918 14984.87       643.8290 14350.00       1081.361 15333.51       801.3420 538.1318 20.56724 557.9706 14.68514 -19.83875      25.27181 
1 1 1 -2  14 4  o 374.0525 7.106529 6856.835       260.1934 6355.000       494.1107 7049.386       306.0668 359.1291 14.08349 379.1801 8.246401 -20.05093      16.32017 
1 1 1 -2  14 5  o 293.9655 5.710675 4233.038       164.3199 3860.000       309.9409 4378.884       193.7976 280.1253 11.32705 298.9413 6.623022 -18.81598      13.12122 
1 1 1 -2  14 6  o 409.8152 10.97324 8252.900       439.7827 0.000000       0.000000 8252.900       439.7827 ?        ?        409.8152 10.97324 ?              ?        
1 1 1 -2  14 7  o 290.0612 6.527764 4122.714       185.3363 4452.000       338.3904 3981.609       221.5152 300.8197 11.51352 284.8602 7.952263 15.95953       13.99284 
1 1 1 -2  14 8  o 290.9858 6.541904 4149.249       186.3298 4003.000       315.5512 4227.541       230.8790 285.2297 11.32486 293.5138 8.043762 -8.284088      13.89081 
1 1 1 -2  14 9  o 297.0081 5.754529 4321.752       167.2955 4351.000       337.4481 4312.221       192.6356 297.3176 11.61761 296.6302 6.634604 0.6874084      13.37860 
1 1 1 -2  14 10 o 461.8162 8.668882 10464.10       391.8668 10030.00       761.8815 10620.25       456.9417 450.1305 17.32425 465.0509 10.03816 -14.92044      20.02234 
1 1 1 -2  14 11 o 302.4295 5.847956 4481.927       173.1149 4305.000       338.8522 4544.415       201.3788 295.6156 11.73385 304.4671 6.757205 -8.851501      13.54042 
1 1 1 -2  14 12 o 219.7648 5.184450 2366.235       111.5237 2472.000       199.8405 2318.399       134.3985 224.1871 9.125896 217.3839 6.322994 6.803238       11.10235 
1 1 1 -2  14 13 o 153.0632 4.069412 1148.249       60.91487 1266.000       113.3597 1100.443       72.22935 160.4903 7.234717 149.7897 4.933080 10.70058       8.756507 
1 1 1 -2  14 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  14 15 o 225.8481 6.573689 2504.104       145.1675 2634.000       211.3067 2388.000       199.7742 231.2764 9.353466 220.2030 9.289372 11.07338       13.18256 
1 1 1 -2  14 16 o 229.8538 6.685027 2594.546       150.2448 2894.000       226.9744 2361.000       200.4463 242.3427 9.587352 218.8872 9.377324 23.45543       13.41087 
1 1 1 -2  14 17 o 334.4045 9.178497 5506.268       300.1505 6000.000       449.5070 5109.000       403.2106 347.9689 13.22149 321.1667 12.85207 26.80219       18.43864 
1 1 1 -2  14 18 o 169.1844 5.454222 1405.187       90.20519 1426.000       128.5563 1385.000       126.6049 170.1711 7.738188 167.7025 7.733493 2.468628       10.94013 
1 1 1 -2  14 19 o 225.9773 6.603571 2509.350       145.9096 2404.000       201.2878 2626.000       211.8085 220.7310 9.337488 230.7027 9.399289 -9.971680      13.24897 
1 1 1 -2  14 20 f 286.7504 8.023092 4047.876       224.9702 4128.000       322.5783 3972.000       313.9105 288.7119 11.43733 283.2221 11.34625 5.489777       16.11055 
1 1 1 -2  14 21 o 125.3699 4.899917 771.9987       60.01381 726.5000       83.80137 819.9000       85.98546 121.3716 7.084676 128.9947 6.834386 -7.623077      9.843854 
1 1 1 -2  14 22 o 226.9047 9.492381 2545.000       210.3607 2545.000       210.3607 0.000000       0.000000 226.9047 9.492381 ?        ?        ?              ?        
1 1 1 -2  14 23 o 232.9622 9.716708 2685.000       221.0835 2685.000       221.0835 0.000000       0.000000 232.9622 9.716708 ?        ?        ?              ?        
1 1 1 -2  14 24 o 309.8940 8.617389 4739.396       261.1399 4605.000       362.7306 4884.000       376.2558 304.1963 12.20695 313.2522 12.29496 -9.055939      17.32557 
1 1 1 -2  14 25 o 191.5595 8.402506 1813.000       157.1668 0.000000       0.000000 1813.000       157.1668 ?        ?        191.5595 8.402506 ?              ?        
1 1 1 -2  14 26 o 247.9980 7.041715 3029.928       170.7627 2868.000       229.9545 3229.000       254.9677 240.5370 9.787276 255.1018 10.23169 -14.56482      14.15903 
1 1 1 -2  14 27 o 170.5383 3.740905 1425.945       62.44601 1391.642       70.25649 1555.000       136.2738 168.3754 4.266303 177.3722 7.868703 -8.996826      8.950856 
1 1 1 -2  14 28 o 195.9200 4.134887 1883.054       79.29554 1839.164       89.51658 2043.000       170.8846 193.5533 4.724945 203.0929 8.615682 -9.539642      9.826244 
1 1 1 -2  14 29 o 248.7187 4.999283 3039.447       121.7089 3003.600       138.8957 3158.000       252.5935 247.0933 5.742774 251.7431 10.27239 -4.649841      11.76866 
1 1 1 -2  14 30 o 256.6294 5.128669 3238.265       128.8301 3223.565       147.7076 3285.000       263.3725 255.8545 5.897982 256.3690 10.51772 -0.5145111     12.05855 
1 1 1 -2  14 31 o 193.2023 4.135768 1833.270       78.21224 1817.924       89.26112 1884.000       162.2950 192.2859 4.742515 194.5676 8.542565 -2.281723      9.770715 
1 1 1 -2  14 32 o 88.19224 3.060362 381.9743       26.37854 385.5421       29.43069 367.4000       59.48338 88.56797 3.401147 85.83082 7.144949 2.737152       7.913160 
1 1 1 -2  14 33 o 213.8326 4.457517 2250.385       93.29817 2225.689       106.4821 2332.000       193.5756 212.4666 5.120115 215.5426 9.196246 -3.075974      10.52552 
1 1 1 -2  14 34 o 185.1403 4.023377 1686.600       72.91183 1688.046       83.58525 1682.000       149.1155 185.0634 4.614270 183.0997 8.342018 1.963608       9.533139 
1 1 1 -2  14 35 o 138.6777 3.458174 945.5499       46.94181 954.4548       53.54978 916.0000       97.54809 139.1808 3.934668 135.2005 7.399339 3.980286       8.380444 
1 1 1 -2  14 36 o 147.1347 3.551320 1065.363       51.14595 1042.797       57.63429 1149.000       110.9559 145.3921 4.053760 151.1888 7.521255 -5.796661      8.544135 
1 1 1 -2  14 37 o 105.3991 3.816167 548.4150       39.30548 505.2357       45.55040 674.3000       77.77517 100.9544 4.621836 115.7977 6.892943 -14.84329      8.299038 
1 1 1 -2  14 38 o 122.1240 3.753314 736.4022       44.81323 736.4022       44.81323 0.000000       0.000000 122.1240 3.753314 ?        ?        ?              ?        
1 1 1 -2  14 39 o 91.26286 4.696082 414.2803       41.80932 414.2803       41.80932 0.000000       0.000000 91.26286 4.696082 ?        ?        ?              ?        
1 1 1 -2  14 40 o 121.5220 3.387823 728.9479       40.25854 689.6627       44.54517 904.1000       94.05742 118.0493 3.860249 133.3863 7.231071 -15.33698      8.196945 
1 1 1 -2  14 41 o 26.82677 8.443653 36.96785       24.73747 17.48000       28.82760 91.40000       48.17862 22.69441 8.901191 40.64147 11.56178 -17.94706      14.59130 
1 1 1 -2  14 42 o 77.49229 5.084520 301.1656       38.35385 301.1656       38.35385 0.000000       0.000000 77.49229 5.084520 ?        ?        ?              ?        
1 1 1 -2  14 43 o 98.09225 4.017550 478.4099       38.49303 504.4091       46.42287 421.2000       68.86323 100.4231 4.736063 90.03143 7.894041 10.39168       9.205769 
1 1 1 -2  14 44 o 73.88268 3.648840 271.3770       26.30619 266.7806       29.25368 290.8000       60.13553 73.10217 4.104801 74.08904 8.442693 -0.9868698     9.387675 
1 1 1 -2  14 45 o 106.4456 5.338700 573.9870       55.44738 629.8000       81.41257 525.7000       75.72488 109.6125 7.635702 99.96278 7.800892 9.649750       10.91595 
1 1 1 -2  14 46 o 61.52828 4.691633 191.4156       28.04257 189.9947       32.88829 195.2000       53.67365 60.89965 5.579146 59.33069 9.567567 1.568958       11.07543 
1 1 1 -2  14 47 o 64.68724 3.675901 209.1710       23.17915 210.6531       25.81302 203.0000       52.67147 64.75520 4.093420 60.60175 9.165404 4.153458       10.03796 
1 1 1 -2  14 48 o 47.44432 4.333450 113.9930       19.90251 120.3207       22.10714 86.93000       45.71922 48.61070 4.704910 38.06729 11.38837 10.54341       12.32198 
1 1 1 -2  14 49 o 54.74701 4.004292 150.9442       21.30975 150.8344       23.73618 151.4000       48.38131 54.53284 4.486431 51.35220 9.984923 3.180645       10.94654 
1 1 1 -2  14 50 o 51.81450 4.188947 135.8625       21.06429 148.6098       23.45412 82.70000       47.89750 54.08407 4.470294 36.68171 11.77329 17.40236       12.59341 
1 1 1 -2  14 51 o 25.39747 7.426007 35.39391       19.62226 35.39391       19.62226 0.000000       0.000000 25.39747 7.426007 ?        ?        ?              ?        
1 1 1 -2  14 52 o 41.01377 5.379169 87.89867       21.07487 86.65685       23.95596 92.15000       44.32466 40.27348 6.281913 38.44357 11.13823 1.829914       12.78759 
1 1 1 -2  14 53 o 39.52690 5.013849 81.20232       18.96275 78.15945       20.98880 94.72000       44.23817 38.42349 5.757763 38.85519 11.08720 -0.4317017     12.49311 
1 1 1 -2  14 54 o 35.50856 5.628510 66.71696       18.91117 61.02843       20.93230 91.98000       44.11230 33.46857 6.624156 38.26554 11.11883 -4.796974      12.94248 
1 1 1 -2  14 55 o 24.86860 7.005029 34.24850       17.77496 47.07085       19.66130 -23.12000      41.58772 29.11957 6.987343 19.23347 8.975884 9.886105       11.37495 
1 1 1 -2  14 56 o 20.27713 7.070654 20.88696       17.23458 19.25198       18.90530 28.93000       41.93134 20.05429 7.356538 25.69456 10.50642 -5.640266      12.82589 
1 1 1 -2  14 57 o 32.79421 6.753413 59.25199       20.95607 44.18478       23.51074 117.5000       46.22644 27.75251 8.132436 43.17725 10.92954 -15.42473      13.62319 
1 1 1 -2  14 58 o 20.42697 7.240548 21.10672       18.12495 35.30107       19.79514 -52.52000      45.08360 25.07582 7.491690 17.64285 8.535607 7.432972       11.35703 
1 1 1 -2  14 59 o 20.24910 7.319061 20.52994       18.61568 25.07770       20.22342 -4.709000      47.64216 21.79759 7.655052 22.04568 10.03850 -0.2480927     12.62424 
1 1 1 -2  14 60 o 33.48819 6.389205 61.82415       20.17934 71.57696       22.29503 17.63000       47.45975 35.98182 6.572326 24.25428 10.58800 11.72753       12.46199 
1 1 1 -2  15 1  o 251.2613 5.764183 3092.742       141.7652 3076.957       173.0072 3125.000       247.3235 250.4599 7.064051 252.1245 10.04185 -1.664551      12.27761 
1 1 1 -2  15 2  o 379.7156 8.351237 7070.865       310.3956 6587.000       509.8942 7355.736       391.2389 365.5093 14.27946 386.9440 10.33896 -21.43472      17.62944 
1 1 1 -2  15 3  o 353.8438 6.755054 6135.945       233.9627 5989.000       459.8587 6187.266       271.7646 348.6255 13.50147 355.2398 7.815648 -6.614380      15.60045 
1 1 1 -2  15 4  o 583.2374 12.56790 16726.94       717.4874 0.000000       0.000000 16726.94       717.4874 ?        ?        583.2374 12.56790 ?              ?        
1 1 1 -2  15 5  o 314.9088 12.24112 4883.000       376.6034 0.000000       0.000000 4883.000       376.6034 ?        ?        314.9088 12.24112 ?              ?        
1 1 1 -2  15 6  o 499.1824 9.346500 12229.28       456.6827 11910.00       896.3551 12341.21       530.7318 490.2374 18.71396 501.2258 10.81771 -10.98840      21.61563 
1 1 1 -2  15 7  o 413.2838 9.020002 8382.094       364.8895 8103.000       617.2976 8531.984       452.3839 404.9600 15.60233 416.5254 11.10573 -11.56537      19.15124 
1 1 1 -2  15 8  o 679.6865 12.64834 22738.07       841.4886 22320.00       1659.691 22882.73       976.2761 667.2324 25.45901 681.1912 14.64190 -13.95874      29.36914 
1 1 1 -2  15 9  o 337.6974 6.465676 5590.134       213.7213 5508.000       424.2395 5618.068       247.4100 334.1541 12.99531 338.4503 7.468203 -4.296234      14.98840 
1 1 1 -2  15 10 o 297.6241 5.766051 4341.127       167.9781 4236.000       332.2176 4377.235       194.7003 293.1669 11.60004 298.7917 6.657203 -5.624817      13.37458 
1 1 1 -2  15 11 o 225.8003 5.292606 2498.383       116.9770 2682.000       213.3226 2419.429       139.8837 233.4614 9.353963 222.0452 6.442866 11.41621       11.35813 
1 1 1 -2  15 12 o 285.4619 6.441336 3995.992       179.9825 3814.000       303.5786 4094.633       223.4979 278.1184 11.17430 288.7120 7.916123 -10.59357      13.69416 
1 1 1 -2  15 13 o 570.2506 12.35565 16039.90       689.6641 15720.00       1174.871 16208.09       851.8812 559.7636 21.48256 571.8820 15.23187 -12.11835      26.33459 
1 1 1 -2  15 14 o 216.7104 5.131205 2301.854       108.8442 2731.000       211.4713 2147.194       126.9512 235.4882 9.192021 209.1404 6.208312 26.34776       11.09218 
1 1 1 -2  15 15 o 272.7856 7.662321 3657.786       204.3890 3799.000       295.9412 3529.000       282.6183 277.3872 10.92100 267.3543 10.82195 10.03287       15.37474 
1 1 1 -2  15 16 o 241.1106 6.930682 2856.612       163.3983 2889.000       232.4950 2825.000       229.6908 241.9858 9.836112 239.2878 9.827477 2.698059       13.90426 
1 1 1 -2  15 17 o 316.5923 8.729427 4935.637       270.2574 4899.000       380.3387 4973.000       384.0924 314.4432 12.38146 316.8036 12.41024 -2.360474      17.53039 
1 1 1 -2  15 18 o 236.4781 6.845796 2748.848       158.2938 2729.000       223.0175 2769.000       224.7146 235.1054 9.711946 236.8244 9.714523 -1.719040      13.73659 
1 1 1 -2  15 19 o 173.4418 5.556787 1477.467       94.21559 1396.000       129.5263 1569.000       137.2947 168.2821 7.885390 178.4268 7.880614 -10.14471      11.14825 
1 1 1 -2  15 20 o 122.1516 4.875466 732.9314       58.17656 677.1000       80.77782 793.1000       83.85670 117.1546 7.077119 126.8657 6.777450 -9.711082      9.798951 
1 1 1 -2  15 21 o 197.2053 8.593776 1920.000       165.4874 1920.000       165.4874 0.000000       0.000000 197.2053 8.593776 ?        ?        ?              ?        
1 1 1 -2  15 22 o 127.4878 5.085638 798.7305       63.33559 812.0000       89.30134 785.3000       89.84120 128.2907 7.139586 126.1330 7.308100 2.157722       10.21675 
1 1 1 -2  15 23 o 202.5047 6.171254 2016.748       122.1821 2047.000       175.0357 1988.000       170.6317 203.5121 8.807640 200.5736 8.711979 2.938507       12.38843 
1 1 1 -2  15 24 o 265.8462 10.76232 3508.000       279.4756 0.000000       0.000000 3508.000       279.4756 ?        ?        265.8462 10.76232 ?              ?        
1 1 1 -2  15 25 o 126.5225 7.136959 790.6000       88.02837 0.000000       0.000000 790.6000       88.02837 ?        ?        126.5225 7.136959 ?              ?        
1 1 1 -2  15 26 o 187.4446 5.887826 1728.963       107.8935 1716.000       152.3653 1742.000       152.8045 186.2226 8.380339 187.6406 8.340455 -1.417923      11.82342 
1 1 1 -2  15 27 o 245.0733 7.123045 2962.512       170.6896 2793.000       232.9592 3159.000       250.8111 237.0324 10.06365 252.0628 10.18655 -15.03041      14.31932 
1 1 1 -2  15 28 o 276.4877 7.866544 3780.454       212.6788 3673.000       295.4602 3896.000       306.3837 271.1119 11.15766 279.1940 11.23417 -8.082062      15.83351 
1 1 1 -2  15 29 o 263.4152 7.575449 3432.763       195.1210 3398.000       275.0144 3468.000       276.8807 260.6375 10.80326 263.3329 10.76460 -2.695404      15.25080 
1 1 1 -2  15 30 o 126.0346 3.165079 779.4711       39.01548 762.2178       43.34634 853.1000       89.54459 124.5876 3.558085 131.2027 6.997847 -6.615021      7.850466 
1 1 1 -2  15 31 o 117.6649 3.120267 679.6188       35.90555 668.9609       39.97638 724.1000       81.66851 116.6925 3.503856 120.7624 6.938227 -4.069885      7.772773 
1 1 1 -2  15 32 o 162.2732 3.653408 1293.451       58.02981 1296.881       66.15215 1282.000       120.8718 162.3471 4.166317 160.3699 7.722794 1.977188       8.774950 
1 1 1 -2  15 33 o 95.30492 2.950320 446.2010       27.48952 428.5420       30.06298 536.3000       67.90611 93.35466 3.295121 103.7222 6.724784 -10.36752      7.488694 
1 1 1 -2  15 34 f 22.95148 5.501530 27.10447       12.19860 33.97515       12.71997 -51.59000      43.04854 25.76400 5.222911 18.43517 8.762915 7.328829       10.20135 
1 1 1 -2  15 35 o 79.81281 3.006817 313.3945       23.44814 312.2825       25.63153 319.1000       58.05869 79.62913 3.295611 79.45889 7.555625 0.1702347      8.243090 
1 1 1 -2  15 36 o 65.93362 3.114560 214.2345       20.04382 202.6764       21.52788 289.5000       54.93600 64.07632 3.445063 75.53198 7.530790 -11.45566      8.281380 
1 1 1 -2  15 37 o 117.7428 3.607942 684.0048       41.53242 684.0048       41.53242 0.000000       0.000000 117.7428 3.607942 ?        ?        ?              ?        
1 1 1 -2  15 38 o 93.14497 3.129760 427.6018       28.49439 417.8302       31.24418 475.9000       69.46265 91.99823 3.475884 96.77184 7.389122 -4.773605      8.165836 
1 1 1 -2  15 39 f 106.2583 3.190715 556.8148       33.14858 524.4295       36.35298 716.6000       80.74845 103.0088 3.611034 118.9180 6.967664 -15.90919      7.847796 
1 1 1 -2  15 40 o 51.03915 4.137596 129.8601       20.49372 132.9388       22.52990 115.1000       49.33077 51.55737 4.509748 45.68197 11.13508 5.875401       12.01365 
1 1 1 -2  15 41 o 74.21168 3.339813 272.4147       24.19838 260.8824       26.54206 329.2000       58.89718 72.51997 3.751889 79.91401 7.621690 -7.394035      8.495107 
1 1 1 -2  15 42 o 78.19995 3.373295 302.6981       25.75991 297.8749       28.52754 324.0000       59.95224 77.46367 3.773712 79.01055 7.855969 -1.546883      8.715341 
1 1 1 -2  15 43 o 138.2493 4.775180 956.9827       64.52178 956.9827       64.52178 0.000000       0.000000 138.2493 4.775180 ?        ?        ?              ?        
1 1 1 -2  15 44 o 39.06946 9.783011 85.41943       37.32527 96.66000       54.00570 75.14000       51.64520 40.54679 12.43029 36.38302 12.25337 4.163769       17.45443 
1 1 1 -2  15 45 o 34.47441 6.417615 62.80075       20.85921 46.22050       22.88524 144.2000       50.70723 29.12530 7.850648 50.17891 10.65356 -21.05361      13.23370 
1 1 1 -2  15 46 o 41.46818 5.401195 88.65873       21.40308 79.75109       23.94895 124.0000       47.70307 38.85295 6.528630 46.21022 10.74963 -7.357262      12.57687 
1 1 1 -2  15 47 o 20.74246 7.330656 20.67971       18.56748 25.46475       20.55248 -0.5641000     43.30496 22.49203 7.727372 22.62753 9.987835 -0.1355038     12.62811 
1 1 1 -2  15 48 o 19.34350 7.766001 12.04793       22.43498 3.588991       26.42285 33.90000       42.46859 18.81394 8.054713 27.40622 10.78734 -8.592278      13.46273 
1 1 1 -2  15 49 o 40.39535 7.967440 90.08406       30.38358 90.08406       30.38358 0.000000       0.000000 40.39535 7.967440 ?        ?        ?              ?        
1 1 1 -2  15 50 o 36.95743 8.531539 77.29903       30.23790 77.29903       30.23790 0.000000       0.000000 36.95743 8.531539 ?        ?        ?              ?        
1 1 1 -2  15 51 o 29.20886 6.612447 46.49132       18.46366 47.29114       20.48059 43.02000       42.66708 29.24230 7.203201 28.54953 10.92883 0.6927738      13.08913 
1 1 1 -2  15 52 f 31.77281 5.991529 54.11296       17.95056 63.99450       19.76000 7.450000       42.93989 34.58733 6.057256 22.99439 10.05390 11.59294       11.73760 
1 1 1 -2  15 53 o 21.26704 6.972566 23.92358       16.74866 21.87360       18.23796 34.96000       42.31705 20.77489 7.271555 26.84858 10.70396 -6.073687      12.94026 
1 1 1 -2  15 54 o 60.28433 3.746310 183.4529       21.99697 192.1753       24.69116 149.9000       48.42690 61.50935 4.124887 49.85201 10.26631 11.65734       11.06399 
1 1 1 -2  15 55 o 36.14097 5.405447 68.88462       18.53573 79.95708       20.54982 20.56000       42.93091 38.91137 5.552739 24.57068 10.38337 14.34069       11.77486 
1 1 1 -2  15 56 o 49.35380 4.319410 124.5638       20.65647 136.5322       23.13584 77.53000       45.86399 51.52101 4.637266 34.71991 11.54485 16.80110       12.44137 
1 1 1 -2  15 57 o 67.01611 3.630810 226.5467       23.72816 223.3311       26.51024 239.5000       53.20771 66.26340 4.107468 64.75495 8.607490 1.508446       9.537304 
1 1 1 -2  15 58 o 31.88800 6.496597 55.90058       19.58848 62.56402       21.52866 23.85000       47.21564 33.63110 6.774360 25.37504 10.81271 8.256054       12.75957 
1 1 1 -2  15 59 o 28.10526 6.938196 44.51896       18.97058 50.49672       20.69989 13.16000       47.41102 29.84541 7.174637 23.84896 10.49174 5.996452       12.71031 
1 1 1 -2  15 60 f 24.56429 7.813694 34.59542       21.13399 35.64620       23.89467 30.82000       45.29288 24.88388 8.334301 25.66347 10.74414 -0.7795906     13.59769 
1 1 1 -2  16 1  o 363.7733 8.021177 6490.812       285.6111 6226.483       339.6474 7129.000       527.7532 355.9683 9.757095 380.0802 14.21068 -24.11188      17.23787 
1 1 1 -2  16 2  o 97.33028 3.629192 464.4873       34.51460 389.6000       57.17958 507.4129       43.29077 88.90929 6.617798 101.6954 4.359106 -12.78610      7.924459 
1 1 1 -2  16 3  o 314.3473 12.22406 4869.000       375.4074 0.000000       0.000000 4869.000       375.4074 ?        ?        314.3473 12.22406 ?              ?        
1 1 1 -2  16 4  o 257.0613 5.896637 3238.187       148.3704 0.000000       0.000000 3238.187       148.3704 ?        ?        257.0613 5.896637 ?              ?        
1 1 1 -2  16 5  o 186.0313 3.970609 1694.759       72.30186 1643.000       142.5697 1712.680       83.88976 182.8293 7.985904 186.9937 4.583272 -4.164444      9.207663 
1 1 1 -2  16 6  o 144.7044 3.413765 1025.275       48.35280 985.9000       95.94384 1038.681       55.98195 141.6271 6.942083 145.5834 3.932129 -3.956314      7.978356 
1 1 1 -2  16 7  o 399.7624 8.748650 7846.150       342.3333 7377.000       568.1529 8113.558       428.9403 386.1439 15.06064 406.0394 10.80211 -19.89548      18.53398 
1 1 1 -2  16 8  o 200.5361 4.168790 1969.657       81.82928 1996.000       166.4200 1961.257       93.97427 201.4591 8.458230 200.0834 4.798348 1.375763       9.724495 
1 1 1 -2  16 9  o 415.1645 9.068502 8467.667       368.5208 8038.000       616.1951 8706.923       459.8162 402.6918 15.66276 420.4287 11.18334 -17.73694      19.24549 
1 1 1 -2  16 10 o 209.7296 4.314451 2154.725       88.57098 2127.000       177.5976 2163.903       102.1857 207.8996 8.746789 210.1446 4.967820 -2.245041      10.05910 
1 1 1 -2  16 11 o 296.7046 6.663641 4318.560       193.5272 4258.000       333.2257 4349.383       237.7285 293.6954 11.61428 297.4758 8.172124 -3.780457      14.20124 
1 1 1 -2  16 12 o 224.9088 4.543753 2478.551       100.0294 2539.000       205.8772 2459.871       114.4459 227.0267 9.284152 224.0178 5.219291 3.008881       10.65066 
1 1 1 -2  16 13 o 193.5139 4.719635 1835.238       89.39782 2037.000       166.7919 1753.913       105.8930 203.4037 8.395461 189.0306 5.729681 14.37308       10.16430 
1 1 1 -2  16 14 o 143.2876 3.909657 1006.591       54.78322 1117.000       103.0253 963.0659       64.68643 150.6689 7.004941 140.0958 4.723930 10.57307       8.448948 
1 1 1 -2  16 15 o 225.8406 6.588089 2505.914       145.4799 2473.000       203.9637 2540.000       207.5630 223.9156 9.326402 226.9264 9.364677 -3.010864      13.21662 
1 1 1 -2  16 16 o 77.73324 5.095098 297.5592       38.55359 356.6000       55.63140 243.0000       53.47832 84.95194 6.745566 69.85420 7.963356 15.09774       10.43636 
1 1 1 -2  16 17 o 222.6924 6.532669 2437.321       142.2436 2455.000       202.1989 2420.000       200.1424 223.0246 9.282614 221.4321 9.254452 1.592545       13.10770 
1 1 1 -2  16 18 o 262.2520 7.447196 3384.560       190.9755 3417.000       271.9574 3353.000       268.2414 262.7722 10.59514 260.3082 10.54951 2.464050       14.95156 
1 1 1 -2  16 19 o 244.5655 7.052359 2942.769       168.6483 2837.000       233.5570 3058.000       243.7808 239.4924 9.985015 248.6472 10.03698 -9.154846      14.15774 
1 1 1 -2  16 20 o 136.9798 7.280609 925.5000       97.26747 925.5000       97.26747 0.000000       0.000000 136.9798 7.280609 ?        ?        ?              ?        
1 1 1 -2  16 21 o 200.8690 6.147503 1983.999       120.7276 1871.000       165.3551 2113.000       176.6758 194.5978 8.703092 206.8135 8.747296 -12.21567      12.33933 
1 1 1 -2  16 22 o 175.8635 5.676902 1520.354       97.59419 1451.000       135.1190 1596.000       141.1142 171.4117 8.075928 179.7975 8.038603 -8.385727      11.39472 
1 1 1 -2  16 23 o 164.2487 7.751096 1332.000       124.2637 0.000000       0.000000 1332.000       124.2637 ?        ?        164.2487 7.751096 ?              ?        
1 1 1 -2  16 24 o 115.6299 5.006370 657.5335       56.52871 632.6000       80.66055 681.6000       79.24556 113.0973 7.325638 117.4767 6.922235 -4.379341      10.07880 
1 1 1 -2  16 25 o 103.2651 5.019377 524.8323       50.58324 553.1000       74.37179 500.5000       69.00078 105.7057 7.231484 100.5582 7.054965 5.147537       10.10282 
1 1 1 -2  16 26 o 126.6619 5.081123 789.2491       62.86798 782.9000       88.22150 795.8000       89.61232 125.8252 7.193066 126.8510 7.247340 -1.025841      10.21098 
1 1 1 -2  16 27 o 145.1497 5.245272 1036.895       74.40045 1043.000       106.1538 1031.000       104.3068 145.1576 7.496583 144.3372 7.407699 0.8204346      10.53911 
1 1 1 -2  16 28 f 136.3219 5.217835 915.1501       69.49596 934.9000       100.5694 897.1000       96.14415 137.3379 7.509740 134.5657 7.326959 2.772202       10.49193 
1 1 1 -2  16 29 o 102.4620 5.159550 517.8148       51.57996 505.7000       75.15947 528.6000       70.91554 100.7799 7.676864 103.1814 7.064182 -2.401451      10.43249 
1 1 1 -2  16 30 o 127.2163 5.121237 798.1517       63.64076 761.4000       90.25104 834.5000       89.75427 123.7094 7.488274 129.6359 7.100438 -5.926498      10.31942 
1 1 1 -2  16 31 o 143.6886 5.275197 1019.328       74.06779 910.1000       101.4518 1144.000       108.3872 135.0881 7.704443 151.6345 7.324193 -16.54645      10.63025 
1 1 1 -2  16 32 o 53.71254 7.150095 145.8390       36.65897 169.5000       55.30876 127.3000       48.95754 57.12667 10.26865 49.29435 10.47012 7.832321       14.66521 
1 1 1 -2  16 33 o 86.73528 5.362808 373.4004       45.30698 408.3000       67.38068 344.6000       61.21032 90.06136 7.717804 82.70814 7.647417 7.353226       10.86497 
1 1 1 -2  16 34 o 113.9681 5.081957 643.7578       56.54925 670.5000       82.53827 620.1000       77.63244 115.5418 7.335983 111.1605 7.173172 4.381355       10.26017 
1 1 1 -2  16 35 o 52.59966 2.870852 136.3358       14.72483 137.3463       15.45555 126.4000       48.46145 52.77782 3.004168 48.73060 10.47194 4.047215       10.89434 
1 1 1 -2  16 36 o 118.2684 3.493517 689.6937       40.39816 689.6937       40.39816 0.000000       0.000000 118.2684 3.493517 ?        ?        ?              ?        
1 1 1 -2  16 37 o 139.3788 4.025106 960.6782       54.85615 939.0894       64.51863 1017.000       104.2101 137.5028 4.801029 141.5979 7.546016 -4.095184      8.943838 
1 1 1 -2  16 38 o 95.11985 3.008433 445.8602       27.97507 434.5998       30.59454 503.3000       69.09913 93.83595 3.336262 99.53829 7.139541 -5.702339      7.880589 
1 1 1 -2  16 39 o 47.63593 3.603005 112.6970       16.67529 114.5182       17.75237 99.04000       48.61296 47.98032 3.811253 42.31068 11.45808 5.669647       12.07531 
1 1 1 -2  16 40 o 36.43012 4.211932 66.66028       14.74294 60.20134       15.47979 129.7000       48.36059 34.48281 4.709145 48.72255 10.45357 -14.23973      11.46531 
1 1 1 -2  16 41 o 88.87724 3.086266 390.0937       26.80838 371.9213       29.21883 486.8000       67.40377 86.68237 3.450599 97.49066 7.112347 -10.80830      7.905195 
1 1 1 -2  16 42 o 102.8709 3.198345 523.3065       32.16592 538.3895       36.10010 465.2000       70.85578 104.2226 3.543827 94.66328 7.713744 9.559311       8.488849 
1 1 1 -2  16 43 o 82.84316 5.877052 349.5612       47.34712 258.7000       64.98002 452.4000       69.13042 68.74902 9.944791 93.07513 7.655651 -24.32612      12.55021 
1 1 1 -2  16 44 o 74.93058 3.568912 279.5462       26.10063 268.3698       28.49858 337.7000       65.00716 73.25848 3.989340 79.39481 8.496917 -6.136337      9.386822 
1 1 1 -2  16 45 o 62.73104 3.407615 196.0070       20.84517 196.7113       22.64635 192.1000       53.33645 62.74541 3.703787 58.77472 9.602264 3.970695       10.29182 
1 1 1 -2  16 46 o 44.78851 4.203069 101.3912       18.21104 98.36020       19.63089 120.1000       48.77161 43.96037 4.631704 45.04217 11.12794 -1.081802      12.05337 
1 1 1 -2  16 47 o 34.08869 5.165301 60.23536       16.69569 48.11751       17.89298 141.8000       46.42168 30.00833 6.292976 49.82100 9.868363 -19.81267      11.70411 
1 1 1 -2  16 48 o 70.06477 3.674344 245.8163       25.11107 245.8163       25.11107 0.000000       0.000000 70.06477 3.674344 ?        ?        ?              ?        
1 1 1 -2  16 49 o 29.71715 6.578671 47.79724       18.63004 34.04581       20.04679 134.9000       50.45298 24.99158 7.555663 47.28867 11.09270 -22.29710      13.42147 
1 1 1 -2  16 50 o 28.44863 7.137764 44.57568       19.84071 44.62000       22.33716 44.41000       43.18987 28.27447 7.811966 28.95143 11.01672 -0.6769619     13.50537 
1 1 1 -2  16 51 o 14.20814 6.234435 -1.833928      16.64276 -6.910332      18.15587 24.87000       41.64151 13.90127 6.276789 25.23785 10.41092 -11.33658      12.15670 
1 1 1 -2  16 52 o 52.52236 4.488509 141.1548       22.85462 153.4477       26.05253 100.1000       47.61068 54.53452 4.933912 39.52124 11.57056 15.01328       12.57861 
1 1 1 -2  16 53 o 23.15542 9.167993 23.20861       30.83875 80.58000       46.71057 -21.12000      41.05910 35.52098 11.64412 19.32734 8.985695 16.19364       14.70810 
1 1 1 -2  16 54 o 16.72642 7.377977 -1.779098      23.59169 9.326606       29.13188 -22.94000      40.21264 20.17411 8.540720 18.89112 8.819461 1.282988       12.27708 
1 1 1 -2  16 55 o 39.63149 6.758908 85.67661       25.27967 80.84373       30.79653 95.66000       44.26274 37.33746 8.603442 38.78066 11.09815 -1.443203      14.04237 
1 1 1 -2  16 56 o 30.44366 8.133249 53.45216       24.69678 66.58228       29.97502 25.70000       43.57863 33.54338 8.959856 25.30668 10.56274 8.236700       13.85101 
1 1 1 -2  16 57 o 24.39923 8.425913 32.74006       24.44689 42.04771       29.36904 11.74000       44.11438 27.02570 9.238743 23.42277 10.21682 3.602922       13.77453 
1 1 1 -2  16 58 o 33.71742 9.049911 68.33443       30.48983 68.33443       30.48983 0.000000       0.000000 33.71742 9.049911 ?        ?        ?              ?        
1 1 1 -2  16 59 o 28.12770 7.572601 45.71489       21.30845 39.32889       24.00767 69.42000       46.25477 25.97198 8.335140 32.21028 11.55044 -6.238300      14.24385 
1 1 1 -2  17 1  o 279.8687 6.343329 3840.059       173.7712 3635.221       204.9988 4363.000       327.5458 272.0818 7.705186 297.5527 11.26645 -25.47092      13.64928 
1 1 1 -2  17 2  o 411.8760 15.75031 8404.000       633.8123 0.000000       0.000000 8404.000       633.8123 ?        ?        411.8760 15.75031 ?              ?        
1 1 1 -2  17 3  o 412.3277 9.017069 8350.669       363.9269 0.000000       0.000000 8350.669       363.9269 ?        ?        412.3277 9.017069 ?              ?        
1 1 1 -2  17 4  o 203.1555 4.242279 2021.564       84.35953 2030.000       168.9930 2018.764       97.35744 203.1517 8.517392 202.9872 4.899980 0.1645203      9.826280 
1 1 1 -2  17 5  o 204.8600 4.923446 2056.277       98.72625 1987.000       167.8047 2092.952       122.0932 200.9710 8.549837 206.5316 6.045979 -5.560562      10.47156 
1 1 1 -2  17 6  o 101.0947 3.079813 500.8803       30.44052 491.1000       62.45071 503.9282       34.86246 99.86768 6.422657 101.3808 3.518479 -1.513100      7.323265 
1 1 1 -2  17 7  o 247.6748 4.944686 3005.894       119.8745 2892.000       234.3316 3046.264       139.5109 242.2905 9.901572 249.2808 5.717591 -6.990250      11.43381 
1 1 1 -2  17 8  o 409.0266 7.749099 8214.067       310.2480 8556.000       637.5787 8107.986       355.1279 415.1230 15.71941 406.1651 8.932560 8.957855       18.08011 
1 1 1 -2  17 9  o 429.5809 9.375139 9076.101       394.2112 8877.000       672.9735 9180.106       486.3961 422.4528 16.30533 431.3436 11.53055 -8.890808      19.97042 
1 1 1 -2  17 10 o 255.2108 5.055490 3192.517       126.2899 3238.000       256.8077 3178.010       145.0397 256.2158 10.26066 254.5674 5.820737 1.648376       11.79670 
1 1 1 -2  17 11 o 83.63968 2.905249 342.9694       23.74881 376.4000       55.29683 335.4084       26.29766 87.33959 6.515128 82.69284 3.255310 4.646751       7.283126 
1 1 1 -2  17 12 o 181.9049 3.879274 1621.078       69.07184 1607.000       140.6957 1625.549       79.28369 180.6453 7.976641 182.1266 4.447380 -1.481339      9.132688 
1 1 1 -2  17 13 o 208.9083 4.288171 2138.711       87.68677 2343.000       188.4863 2082.286       99.05901 218.0206 8.850741 206.0924 4.910500 11.92821       10.12169 
1 1 1 -2  17 14 o 61.88604 3.304003 188.1246       19.94171 0.000000       0.000000 188.1246       19.94171 ?        ?        61.88604 3.304003 ?              ?        
1 1 1 -2  17 15 o 258.5664 7.348009 3288.437       185.7836 3521.000       274.1747 3091.000       252.6220 266.8729 10.51642 250.0622 10.34321 16.81070       14.75050 
1 1 1 -2  17 16 o 186.3250 5.781948 1705.470       105.3236 1789.000       152.8748 1630.000       145.3128 190.4797 8.218720 181.8074 8.186562 8.672287       11.60031 
1 1 1 -2  17 17 o 182.7404 5.731562 1640.704       102.3945 1683.000       147.1528 1601.000       142.5712 184.7196 8.158721 180.1638 8.105349 4.555801       11.50050 
1 1 1 -2  17 18 o 125.7075 7.050809 779.4000       86.40968 779.4000       86.40968 0.000000       0.000000 125.7075 7.050809 ?        ?        ?              ?        
1 1 1 -2  17 19 o 234.5886 9.750484 2723.000       223.4043 2723.000       223.4043 0.000000       0.000000 234.5886 9.750484 ?        ?        ?              ?        
1 1 1 -2  17 20 o 218.0321 6.501133 2338.729       138.5895 2359.000       197.3355 2319.000       194.6817 218.3966 9.252053 216.5451 9.205820 1.851486       13.05173 
1 1 1 -2  17 21 o 238.0258 6.950229 2789.568       161.7573 2661.000       223.1235 2932.000       234.8452 231.7658 9.857861 243.2939 9.882094 -11.52808      13.95827 
1 1 1 -2  17 22 o 252.2884 10.33226 3158.000       254.6120 0.000000       0.000000 3158.000       254.6120 ?        ?        252.2884 10.33226 ?              ?        
1 1 1 -2  17 23 o 246.0980 7.136277 2984.995       171.7225 3013.000       245.1113 2958.000       240.6545 246.3604 10.18648 244.1294 10.09265 2.230972       14.33966 
1 1 1 -2  17 24 o 181.3423 5.814950 1618.284       103.0836 1549.000       143.1075 1693.000       148.6126 176.9132 8.287142 184.9847 8.228143 -8.071518      11.67814 
1 1 1 -2  17 25 f 156.7507 5.400866 1208.903       82.74275 1105.000       112.3619 1332.000       122.3008 149.4397 7.707551 164.1254 7.633760 -14.68564      10.84807 
1 1 1 -2  17 26 o 108.0486 5.174054 575.0897       54.56229 634.6000       80.97454 525.6000       73.84307 113.1544 7.350683 102.9303 7.378206 10.22412       10.41492 
1 1 1 -2  17 27 o 67.99397 6.283448 229.7371       41.34623 209.7000       60.31500 247.5000       56.78898 64.19335 9.918417 70.18980 8.434570 -5.996452      13.01987 
1 1 1 -2  17 28 o 174.2604 5.762874 1497.655       98.16266 1511.000       140.7027 1485.000       137.0166 174.3334 8.269042 172.8719 8.120037 1.461502       11.58931 
1 1 1 -2  17 29 o 207.5187 6.372665 2129.424       129.2914 2210.000       187.2454 2056.000       178.7421 210.2935 9.118269 202.8641 9.024099 7.429382       12.82876 
1 1 1 -2  17 30 o 191.1621 6.040436 1807.563       112.8836 1797.000       160.1221 1818.000       159.1652 189.5538 8.652856 190.7092 8.548214 -1.155426      12.16322 
1 1 1 -2  17 31 o 51.86504 7.461335 136.5002       36.79025 112.1000       54.59346 156.8000       49.79546 45.99996 12.00083 55.09513 9.581271 -9.095173      15.35646 
1 1 1 -2  17 32 o 107.8871 5.163360 576.3879       54.36827 551.1000       78.24068 600.0000       75.60381 104.7465 7.684577 109.5216 7.090522 -4.775055      10.45601 
1 1 1 -2  17 33 o 127.8502 5.230444 810.2937       65.31730 799.5000       93.69216 820.5000       91.10728 126.0967 7.626552 127.8857 7.308647 -1.788963      10.56317 
1 1 1 -2  17 34 o 47.10773 8.093802 114.7673       35.97632 140.9000       53.28164 92.87000       48.77319 51.38357 10.93005 41.61802 11.56063 9.765545       15.90957 
1 1 1 -2  17 35 o 95.34504 7.790931 462.1000       72.07652 462.1000       72.07652 0.000000       0.000000 95.34504 7.790931 ?        ?        ?              ?        
1 1 1 -2  17 36 o 91.87539 5.309281 421.2484       47.54309 356.0000       65.91566 492.0000       68.63918 83.31770 8.188152 98.55981 7.163759 -15.24212      10.87958 
1 1 1 -2  17 37 o 79.31475 7.828960 322.7000       59.98871 0.000000       0.000000 322.7000       59.98871 ?        ?        79.31475 7.828960 ?              ?        
1 1 1 -2  17 38 o 77.64841 8.048815 311.2000       60.28836 0.000000       0.000000 311.2000       60.28836 ?        ?        77.64841 8.048815 ?              ?        
1 1 1 -2  17 39 o 84.72447 5.639562 361.0466       46.50300 311.6000       65.89680 410.1000       65.63433 77.15129 8.888241 89.38246 7.573136 -12.23117      11.67704 
1 1 1 -2  17 40 o 82.72737 5.578602 344.8365       44.90906 353.6000       66.28389 337.4000       61.05932 82.35908 8.336940 80.72592 7.825429 1.633156       11.43424 
1 1 1 -2  17 41 o 43.08136 9.085845 100.5305       37.10636 105.9000       55.57051 96.21000       49.84739 42.93300 12.48095 41.18806 11.77440 1.744938       17.15840 
1 1 1 -2  17 42 o 63.61053 6.789472 209.2271       41.62102 238.1000       61.21201 184.4000       56.76163 66.14970 9.745391 57.66195 10.44110 8.487747       14.28248 
1 1 1 -2  17 43 o 46.78100 3.199115 108.8422       14.56075 99.70636       15.06348 238.9000       56.83530 44.70138 3.469846 66.45866 8.965422 -21.75728      9.613460 
1 1 1 -2  17 44 o 68.75608 3.046827 234.5421       20.45433 226.7067       21.81591 291.5000       58.81930 67.51273 3.311376 73.66972 8.301246 -6.156990      8.937331 
1 1 1 -2  17 45 o 20.92234 5.875529 23.08803       12.52485 19.40509       13.00084 70.64000       46.71519 19.44732 6.121257 34.80728 11.65320 -15.35996      13.16309 
1 1 1 -2  17 46 o 38.80052 3.989653 76.09115       14.93664 78.02725       15.78710 59.56000       46.13066 39.23808 4.174443 32.45229 11.54636 6.785789       12.27780 
1 1 1 -2  17 47 o 29.35697 5.338518 45.16406       14.77553 45.16406       14.77553 0.000000       0.000000 29.35697 5.338518 ?        ?        ?              ?        
1 1 1 -2  17 48 f 35.99485 4.421371 66.26952       15.25085 67.97646       16.16274 52.41000       46.05533 36.38284 4.644234 30.77235 11.44723 5.610489       12.35346 
1 1 1 -2  17 49 f 27.77515 5.779049 41.15915       15.19939 37.74815       16.17074 67.02000       44.52573 26.40369 6.337554 33.37459 11.37634 -6.970901      13.02251 
1 1 1 -2  17 50 o 40.61494 5.889049 87.15494       22.72979 68.63267       26.34455 141.1000       44.95929 34.97723 7.884024 49.18820 9.682828 -14.21097      12.48659 
1 1 1 -2  17 51 o 28.84131 5.547996 44.30032       15.09377 43.37329       16.11903 50.90000       43.00854 28.35812 5.994839 29.78405 11.06544 -1.425932      12.58500 
1 1 1 -2  17 52 o 45.27531 3.933320 104.0549       17.25839 107.7803       18.68783 82.46000       44.99348 45.97089 4.199400 35.99379 11.39514 9.977097       12.14430 
1 1 1 -2  17 53 o 32.49902 5.216228 55.63845       16.03208 47.80890       17.28118 104.0000       42.94920 29.68608 6.149634 40.92712 10.62794 -11.24104      12.27889 
1 1 1 -2  17 54 o 23.70590 6.500070 30.88437       15.53139 27.36016       16.72057 53.05000       41.93340 22.40086 6.925356 29.88811 10.95750 -7.487253      12.96254 
1 1 1 -2  17 55 o 46.83781 3.978781 111.5857       18.06870 115.6271       19.63141 89.19000       46.21339 47.55330 4.262767 37.05510 11.52286 10.49820       12.28607 
1 1 1 -2  17 56 o 16.20013 6.423366 9.195655       15.15847 7.222115       16.22836 22.70000       42.45103 16.01933 6.541523 24.63216 10.36261 -8.612835      12.25460 
1 1 1 -2  17 57 o 31.66489 6.094310 54.50104       18.20349 54.50104       18.20349 0.000000       0.000000 31.66489 6.094310 ?        ?        ?              ?        
1 1 1 -2  17 58 o 43.10911 4.960569 97.26472       20.55070 105.4527       22.93007 63.84000       46.32891 44.67803 5.349525 31.34076 11.51294 13.33727       12.69508 
1 1 1 -2  17 59 o 45.28653 4.363982 106.0358       19.10525 111.9167       20.88131 75.81000       47.33963 46.36279 4.664648 33.18098 11.70711 13.18180       12.60220 
1 1 1 -2  18 1  o 505.1261 13.49812 12616.72       666.7913 0.000000       0.000000 12616.72       666.7913 ?        ?        505.1261 13.49812 ?              ?        
1 1 1 -2  18 2  o 398.3409 15.29311 7874.000       595.1816 0.000000       0.000000 7874.000       595.1816 ?        ?        398.3409 15.29311 ?              ?        
1 1 1 -2  18 3  o 260.5212 5.974780 3328.155       152.3601 3193.000       256.7005 3401.663       189.3119 254.4821 10.32681 263.1493 7.356916 -8.667191      12.67940 
1 1 1 -2  18 4  o 262.8221 6.011157 3387.435       154.6415 3388.000       267.5979 3387.152       189.4847 262.1091 10.45119 262.5751 7.379813 -0.4660034     12.79410 
1 1 1 -2  18 5  o 133.5839 3.845604 874.8030       50.23108 882.0000       88.07661 871.3338       61.15087 133.9021 6.741652 133.2638 4.695300 0.6383209      8.215578 
1 1 1 -2  18 6  o 211.1819 4.361652 2185.134       90.16000 2123.000       177.5978 2206.708       104.6480 207.6220 8.758595 212.1819 5.038673 -4.559875      10.10452 
1 1 1 -2  18 7  o 233.0741 5.439721 2663.507       124.1015 2737.000       219.5789 2629.013       150.4319 235.6344 9.539911 231.3615 6.649567 4.272949       11.62870 
1 1 1 -2  18 8  o 99.59499 3.025784 486.1906       29.46304 532.3000       64.52357 474.0439       33.11721 103.9603 6.371414 98.31945 3.446516 5.640816       7.243852 
1 1 1 -2  18 9  f 256.1038 5.079425 3215.588       127.3318 3472.000       269.2451 3141.719       144.5138 265.1899 10.39265 253.0753 5.833826 12.11465       11.91808 
1 1 1 -2  18 10 o 252.9486 5.823923 3138.863       144.1963 3070.000       247.4377 3174.275       177.4406 249.3529 10.15911 254.1207 7.140644 -4.767807      12.41758 
1 1 1 -2  18 11 o 118.4377 3.095602 687.4716       35.85659 749.3000       79.39375 671.6292       40.18872 123.3644 6.598927 117.0408 3.511982 6.323624       7.475283 
1 1 1 -2  18 12 o 250.5521 4.978907 3078.135       122.1064 3060.000       245.8801 3084.071       140.6797 248.8839 10.11407 250.7171 5.732465 -1.833160      11.62564 
1 1 1 -2  18 13 o 75.76075 3.456744 281.7577       25.56654 0.000000       0.000000 281.7577       25.56654 ?        ?        75.76075 3.456744 ?              ?        
1 1 1 -2  18 14 o 320.2101 6.175183 5034.292       193.5491 5318.000       404.2036 4949.888       220.4678 327.2081 12.64410 317.3516 7.097384 9.856567       14.49987 
1 1 1 -2  18 15 o 174.9581 4.454881 1501.719       76.22949 1574.000       138.2681 1470.155       91.36983 178.6644 7.926108 173.0103 5.402032 5.654083       9.591930 
1 1 1 -2  18 16 o 127.4628 4.934474 798.1255       61.44822 781.4000       86.33122 815.3000       87.48203 125.8736 7.034907 128.5912 6.976389 -2.717636      9.907568 
1 1 1 -2  18 17 o 173.9452 7.963678 1493.000       135.2317 1493.000       135.2317 0.000000       0.000000 173.9452 7.963678 ?        ?        ?              ?        
1 1 1 -2  18 18 o 147.0621 7.405392 1067.000       106.2564 1067.000       106.2564 0.000000       0.000000 147.0621 7.405392 ?        ?        ?              ?        
1 1 1 -2  18 19 o 334.5735 9.238150 5532.046       302.2504 5856.000       444.3113 5253.000       412.3672 342.4848 13.27894 324.4756 13.01000 18.00919       18.59006 
1 1 1 -2  18 20 o 203.4121 8.793865 2046.000       174.6770 0.000000       0.000000 2046.000       174.6770 ?        ?        203.4121 8.793865 ?              ?        
1 1 1 -2  18 21 o 91.26560 7.251510 412.7000       64.24792 0.000000       0.000000 412.7000       64.24792 ?        ?        91.26560 7.251510 ?              ?        
1 1 1 -2  18 22 o 136.8628 5.161631 921.1144       69.02392 852.5000       95.92036 994.8000       99.40183 131.3071 7.494174 141.9323 7.178259 -10.62529      10.37738 
1 1 1 -2  18 23 o 122.7206 5.039455 740.8396       60.40629 822.4000       89.18164 671.7000       82.11057 129.0005 7.090077 116.5203 7.235009 12.48024       10.12988 
1 1 1 -2  18 24 f 170.2357 5.648233 1426.503       93.98701 1397.000       131.8297 1457.000       134.0331 167.9702 8.041521 171.5563 8.003830 -3.586166      11.34581 
1 1 1 -2  18 25 o 259.8147 7.481421 3336.386       190.0647 3398.000       272.4825 3278.000       265.2478 260.8813 10.69328 256.2714 10.59701 4.609894       15.05466 
1 1 1 -2  18 26 o 147.7945 5.357275 1075.955       77.37299 1078.000       110.6788 1074.000       108.2069 147.4334 7.696061 147.1989 7.535145 0.2345276      10.77069 
1 1 1 -2  18 27 o 163.1146 5.556986 1311.838       88.59386 1380.000       129.5751 1252.000       121.4048 166.6621 7.965951 158.7658 7.836407 7.896362       11.17433 
1 1 1 -2  18 28 o 153.2991 5.412777 1159.497       81.09311 1043.000       110.2159 1297.000       119.7413 144.7469 7.807991 161.5271 7.594688 -16.78017      10.89238 
1 1 1 -2  18 29 o 216.9901 6.608700 2333.490       140.2025 2210.000       192.4996 2473.000       204.6061 209.8314 9.396289 221.9627 9.438979 -12.13132      13.31858 
1 1 1 -2  18 30 o 94.27411 5.217813 439.9638       47.96119 498.6000       71.70780 392.5000       64.51559 99.82948 7.390817 88.47562 7.520844 11.35387       10.54454 
1 1 1 -2  18 31 o 180.4724 5.901938 1615.648       104.1183 1577.000       146.5860 1655.000       147.9142 177.0422 8.483497 181.4532 8.350352 -4.410965      11.90370 
1 1 1 -2  18 32 o 49.68236 7.838079 126.6082       36.85473 108.7000       55.00221 141.2000       49.64886 44.99668 12.18881 51.82554 10.15053 -6.828861      15.86192 
1 1 1 -2  18 33 o 94.86093 5.353021 447.5664       49.50246 462.3000       71.77494 434.2000       68.36366 95.59659 7.736560 92.67992 7.602641 2.916672       10.84687 
1 1 1 -2  18 34 o 93.07737 7.949562 441.0000       71.73320 441.0000       71.73320 0.000000       0.000000 93.07737 7.949562 ?        ?        ?              ?        
1 1 1 -2  18 35 o 185.6161 6.061870 1723.818       109.9881 1748.000       157.8528 1701.000       153.3386 184.7479 8.753942 182.3701 8.614318 2.377731       12.28161 
1 1 1 -2  18 36 o 127.4731 7.396110 825.3000       91.88806 0.000000       0.000000 825.3000       91.88806 ?        ?        127.4731 7.396110 ?              ?        
1 1 1 -2  18 37 o 31.33088 11.61262 44.67000       47.31546 0.000000       0.000000 44.67000       47.31546 ?        ?        31.33088 11.61262 ?              ?        
1 1 1 -2  18 38 o 69.12659 6.297328 242.4829       42.14231 235.9000       60.98306 248.5000       58.30365 66.65129 9.626027 68.83352 8.858609 -2.182228      13.08187 
1 1 1 -2  18 39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 40 o 34.76254 10.18319 66.11988       36.86854 -7.405000      54.41900 128.5000       50.12524 25.04899 11.11943 48.02304 10.91229 -22.97405      15.57946 
1 1 1 -2  18 41 o 84.59953 5.823203 363.4808       47.92684 316.1000       68.20332 409.7000       67.36208 76.78119 9.261837 88.56426 7.851811 -11.78307      12.14218 
1 1 1 -2  18 42 o 60.13665 7.199778 189.3286       41.53903 228.1000       60.38477 154.5000       57.23207 64.34876 9.904107 51.67410 11.60025 12.67466       15.25310 
1 1 1 -2  18 43 o 43.13257 9.250076 103.7952       37.88155 82.55000       53.34922 125.4000       53.79880 37.35463 12.45214 45.86043 11.88769 -8.505795      17.21549 
1 1 1 -2  18 44 o 67.17802 6.236357 233.9654       40.53939 166.0000       56.86639 304.2000       57.80792 53.23263 11.26552 75.41394 7.950731 -22.18131      13.78862 
1 1 1 -2  18 45 o 59.49385 6.730690 186.1846       38.50806 181.0000       56.78100 190.6000       52.39973 55.80996 10.78437 58.30837 9.508409 -2.498413      14.37750 
1 1 1 -2  18 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  18 47 o 28.30732 9.993948 43.55823       34.50273 35.04000       51.44926 50.52000       46.51192 28.52900 11.64837 30.52056 11.47318 -1.991566      16.34988 
1 1 1 -2  18 48 o 25.31691 10.56641 21.62000       43.60529 0.000000       0.000000 21.62000       43.60529 ?        ?        25.31691 10.56641 ?              ?        
1 1 1 -2  18 49 o 88.80244 5.529834 407.9586       47.82805 460.9000       71.97710 366.1000       64.00136 91.66398 8.105572 81.63232 8.117224 10.03166       11.47125 
1 1 1 -2  18 50 o 34.80914 9.606286 72.17764       33.79868 26.65000       51.42485 106.8000       44.84499 26.77731 11.34231 41.48359 10.90315 -14.70627      15.73298 
1 1 1 -2  18 51 o 32.47553 9.633790 63.12087       32.82493 34.47000       49.60466 85.44000       43.78166 27.49113 11.35384 36.71338 11.17980 -9.222252      15.93416 
1 1 1 -2  18 52 o 45.38730 7.869289 115.1309       33.69386 128.8000       49.24562 103.1000       46.20064 45.30325 11.17565 40.29572 11.27326 5.007530       15.87392 
1 1 1 -2  18 53 o 30.04506 9.364698 53.42567       30.50426 52.09000       44.10944 54.65000       42.23093 29.80825 11.17978 30.23449 11.01010 -0.4262466     15.69107 
1 1 1 -2  18 54 o 25.22438 9.349499 33.79985       30.67071 54.95000       45.36314 15.99000       41.62714 30.29589 11.34275 23.64684 10.11655 6.649052       15.19876 
1 1 1 -2  18 55 o 40.57695 8.470796 95.16117       32.55587 99.30000       46.86140 91.30000       45.26216 38.96832 11.49818 37.46598 11.35873 1.502342       16.16258 
1 1 1 -2  18 56 o 35.14107 11.11746 79.69000       42.83401 79.69000       42.83401 0.000000       0.000000 35.14107 11.11746 ?        ?        ?              ?        
1 1 1 -2  18 57 o 36.30492 11.60902 88.52000       46.60223 0.000000       0.000000 88.52000       46.60223 ?        ?        36.30492 11.60902 ?              ?        
1 1 1 -2  18 58 o 27.57000 9.496049 45.84934       31.04370 81.74000       42.50799 4.830000       45.44375 34.98002 11.07614 22.39968 10.03736 12.58034       14.94756 
1 1 1 -2  19 1  o 400.4396 10.80658 7913.040       423.1890 8074.000       607.1952 7761.000       590.1288 402.7813 15.42967 394.9433 15.29423 7.838013       21.72529 
1 1 1 -2  19 2  o 320.6595 6.211724 5044.991       194.9676 4815.000       376.8763 5129.035       227.8221 311.8641 12.37057 323.1793 7.201886 -11.31519      14.31426 
1 1 1 -2  19 3  o 176.9090 4.502424 1534.755       77.90216 1494.000       133.4287 1555.833       95.95486 174.1884 7.845855 178.0327 5.512959 -3.844315      9.589064 
1 1 1 -2  19 4  o 251.8195 7.153683 3116.727       176.1509 3414.000       264.2547 2879.000       236.3110 262.9812 10.28561 241.5195 10.01773 21.46172       14.35788 
1 1 1 -2  19 5  o 387.4149 7.375257 7373.175       279.6789 7201.000       549.7074 7433.310       324.8688 380.4495 14.78960 388.7446 8.537631 -8.295105      17.07698 
1 1 1 -2  19 6  o 66.05981 3.341823 214.2892       21.53843 142.8000       46.06309 234.2928       24.36617 53.11178 9.193171 69.06341 3.617008 -15.95163      9.879126 
1 1 1 -2  19 7  o 129.6860 3.261653 824.2711       41.37065 863.1000       87.17089 812.9828       47.00112 132.4105 6.748034 128.7663 3.733003 3.644180       7.711762 
1 1 1 -2  19 8  o 188.2429 4.650975 1737.038       85.69765 1817.000       153.5345 1700.852       103.2838 192.0330 8.186942 186.1131 5.676190 5.919830       9.962186 
1 1 1 -2  19 9  o 333.7640 6.425148 5469.204       209.9079 5527.000       423.3388 5450.362       241.7140 333.6644 12.98680 333.0146 7.415360 0.6497192      14.95475 
1 1 1 -2  19 10 o 307.8712 5.976003 4651.962       180.0885 4657.000       361.2442 4650.296       207.7441 306.4875 12.06511 307.6724 6.898172 -1.184937      13.89790 
1 1 1 -2  19 11 o 142.5677 4.985006 998.0137       69.45831 1045.000       100.7173 955.4000       95.91630 145.6514 7.085785 139.2555 7.059812 6.395950       10.00246 
1 1 1 -2  19 12 o 248.3585 4.949908 3025.235       120.3324 3007.000       242.3416 3031.202       138.6295 246.5895 10.06144 248.5173 5.698925 -1.927795      11.56332 
1 1 1 -2  19 13 o 189.3858 4.673095 1758.844       86.62799 1932.000       160.4655 1687.622       102.9131 197.8989 8.302288 185.3384 5.679523 12.56042       10.05907 
1 1 1 -2  19 14 o 254.9933 5.059990 3189.941       126.2946 3239.000       258.0205 3174.484       144.8303 255.7701 10.32743 254.2759 5.818996 1.494247       11.85396 
1 1 1 -2  19 15 o 196.4497 4.797182 1893.024       92.24521 2096.000       172.5107 1811.749       109.1623 206.0322 8.572835 191.9980 5.815281 14.03424       10.35910 
1 1 1 -2  19 16 f 187.8756 8.323767 1743.000       152.6922 1743.000       152.6922 0.000000       0.000000 187.8756 8.323767 ?        ?        ?              ?        
1 1 1 -2  19 17 o 161.4108 7.720949 1286.000       121.6321 1286.000       121.6321 0.000000       0.000000 161.4108 7.720949 ?        ?        ?              ?        
1 1 1 -2  19 18 o 223.1092 6.613640 2450.007       144.2728 2448.000       204.4027 2452.000       203.6645 222.3770 9.411820 222.5702 9.369460 -0.1932373     13.28040 
1 1 1 -2  19 19 o 123.3566 7.098026 751.5000       85.34315 0.000000       0.000000 751.5000       85.34315 ?        ?        123.3566 7.098026 ?              ?        
1 1 1 -2  19 20 f 241.7858 9.999487 2901.000       236.1437 0.000000       0.000000 2901.000       236.1437 ?        ?        241.7858 9.999487 ?              ?        
1 1 1 -2  19 21 o 116.6053 5.068096 668.9595       57.70734 668.2000       82.13157 669.7000       81.09923 116.2198 7.255976 116.3679 7.154545 -0.1480789     10.19003 
1 1 1 -2  19 22 o 281.7477 7.984872 3922.559       219.9866 3607.000       294.4851 4321.000       330.9063 268.9156 11.21231 294.2227 11.51229 -25.30707      16.07011 
1 1 1 -2  19 23 o 88.21576 5.242468 383.8016       45.06352 373.3000       63.43571 394.5000       64.02730 86.63644 7.555960 89.10697 7.407798 -2.470528      10.58149 
1 1 1 -2  19 24 o 162.1704 5.560680 1295.310       88.13789 1213.000       121.7321 1386.000       127.7792 156.3998 7.978112 167.2472 7.827112 -10.84743      11.17649 
1 1 1 -2  19 25 o 155.6861 5.488400 1194.375       83.50679 1166.000       117.8388 1223.000       118.3558 153.2698 7.881086 157.0235 7.724202 -3.753616      11.03516 
1 1 1 -2  19 26 o 102.1518 5.264202 515.0258       52.45871 512.9000       75.59755 517.0000       72.85411 101.4653 7.668509 101.9447 7.350363 -0.4794312     10.62233 
1 1 1 -2  19 27 o 136.9525 5.276826 925.4678       70.60505 1056.000       106.3522 822.6000       94.41206 145.7233 7.481131 128.5535 7.536095 17.16977       10.61885 
1 1 1 -2  19 28 o 86.21469 5.454538 368.1852       45.79451 298.0000       64.30654 440.4000       65.22976 76.77390 8.711069 93.94241 7.147430 -17.16852      11.26803 
1 1 1 -2  19 29 o 67.45293 6.272233 227.3143       40.93778 312.3000       61.91467 161.3000       54.56824 78.66283 8.159519 55.64619 10.40071 23.01664       13.21940 
1 1 1 -2  19 30 o 144.9793 5.366747 1040.854       76.02791 1113.000       112.0496 979.3000       103.4982 149.0139 7.708251 139.8038 7.591722 9.210083       10.81903 
1 1 1 -2  19 31 o 94.81572 5.316749 446.4772       49.14616 492.7000       73.17864 408.5000       66.33112 98.88181 7.619418 89.99310 7.601129 8.888710       10.76256 
1 1 1 -2  19 32 o 85.72778 5.603592 366.3780       46.76353 353.8000       67.18254 378.2000       65.13234 83.31735 8.350291 86.38583 7.786268 -3.068481      11.41724 
1 1 1 -2  19 33 f 98.26659 7.795643 490.5000       74.36918 490.5000       74.36918 0.000000       0.000000 98.26659 7.795643 ?        ?        ?              ?        
1 1 1 -2  19 34 f 109.0418 5.196846 592.3192       55.30793 616.3000       81.34277 571.7000       75.42632 110.1533 7.590645 106.2217 7.298797 3.931610       10.53045 
1 1 1 -2  19 35 o 77.05219 7.945915 304.9000       59.07030 0.000000       0.000000 304.9000       59.07030 ?        ?        77.05219 7.945915 ?              ?        
1 1 1 -2  19 36 f 58.25296 6.980458 173.8100       39.01063 175.9000       58.15419 172.1000       52.60150 56.94630 10.82864 56.78928 9.818006 0.1570168      14.61687 
1 1 1 -2  19 37 o 78.40668 5.820835 309.9204       44.35429 213.2000       61.62192 413.9000       63.89255 62.92937 10.36456 89.94526 7.320382 -27.01589      12.68906 
1 1 1 -2  19 38 o 90.25224 5.555096 409.8744       48.83669 318.1000       68.03969 507.4000       70.13918 77.66042 9.124561 99.52667 7.249418 -21.86626      11.65383 
1 1 1 -2  19 39 o 96.59045 5.438528 469.5296       51.21108 518.1000       76.24091 429.6000       69.12732 100.0247 7.849932 91.04590 7.832877 8.978798       11.08943 
1 1 1 -2  19 40 o 29.79393 10.29420 45.66059       36.49192 22.53000       54.02433 65.07000       49.48825 28.36004 11.79284 34.68838 11.98784 -6.328337      16.81605 
1 1 1 -2  19 41 o 70.64368 6.340428 256.7038       43.37694 318.6000       63.48341 202.5000       59.40773 77.31658 8.530064 60.25340 10.45165 17.06318       13.49070 
1 1 1 -2  19 42 o 55.49185 7.458479 163.2050       39.48732 130.1000       55.27809 197.7000       56.42662 46.72956 12.01792 59.44271 10.05618 -12.71314      15.67026 
1 1 1 -2  19 43 o 101.6422 5.295670 525.5271       52.50499 526.5000       75.16314 524.6000       73.37566 99.60561 7.770751 99.60831 7.582740 -0.2700806E-02 10.85737 
1 1 1 -2  19 44 o 34.63749 9.783624 68.91066       34.62358 40.07000       49.65147 96.21000       48.30651 29.37641 11.63240 39.90797 11.64672 -10.53156      16.46083 
1 1 1 -2  19 45 o 66.67715 8.967484 246.3000       57.04423 246.3000       57.04423 0.000000       0.000000 66.67715 8.967484 ?        ?        ?              ?        
1 1 1 -2  19 46 o 21.37573 9.074121 8.726641       33.03549 46.98000       50.03801 -20.83000      43.98381 30.24829 11.76667 20.41545 9.424553 9.832840       15.07570 
1 1 1 -2  19 47 o 38.38993 11.81298 91.81000       48.71851 0.000000       0.000000 91.81000       48.71851 ?        ?        38.38993 11.81298 ?              ?        
1 1 1 -2  19 48 o 33.64855 9.904523 66.86002       34.80669 21.05000       50.40977 108.6000       48.11832 26.22792 11.17418 41.81964 11.43075 -15.59172      15.98513 
1 1 1 -2  19 49 o 25.38472 9.740715 31.75435       33.94923 3.195000       51.24055 54.10000       45.32481 24.03982 10.72328 30.54321 11.35721 -6.503393      15.61970 
1 1 1 -2  19 50 f 31.17858 9.775937 57.98136       33.19088 41.82000       51.63634 69.36000       43.32732 28.77704 11.69952 33.33562 11.22330 -4.558584      16.21238 
1 1 1 -2  19 51 o 36.88816 9.178729 80.22366       33.00783 71.58000       48.75133 87.54000       44.85229 33.56896 11.87708 37.05656 11.32187 -3.487598      16.40883 
1 1 1 -2  19 52 o 34.66160 9.343102 71.78629       32.41322 125.6000       46.57172 21.23000       45.14020 44.94532 10.73410 24.95138 10.60013 19.99394       15.08587 
1 1 1 -2  19 53 o 27.82636 9.521710 44.89840       31.19730 54.00000       44.89571 36.40000       43.38248 30.09063 11.28038 26.95920 10.80756 3.131435       15.62211 
1 1 1 -2  19 54 o 45.74977 7.801516 117.5023       33.68401 192.7000       50.85832 58.74000       44.95820 57.30236 9.392534 30.92383 11.34441 26.37853       14.72804 
1 1 1 -2  19 55 o 35.00267 11.44556 80.23000       45.14369 80.23000       45.14369 0.000000       0.000000 35.00267 11.44556 ?        ?        ?              ?        
1 1 1 -2  19 56 o 63.50566 8.965181 235.4000       54.18014 0.000000       0.000000 235.4000       54.18014 ?        ?        63.50566 8.965181 ?              ?        
1 1 1 -2  19 57 o 36.35150 8.907610 79.48589       31.44270 101.2000       42.86765 54.20000       46.25916 39.42976 10.79377 29.52809 11.36015 9.901670       15.67031 
1 1 1 -2  19 58 o 38.65594 8.641847 89.41063       31.87617 58.17000       43.34661 126.2000       47.03882 29.93992 11.11159 43.69329 11.00589 -13.75338      15.63960 
1 1 1 -2  20 1  o 423.6511 9.277716 8841.013       384.7296 8847.000       667.0338 8838.027       470.9618 420.7171 16.22806 422.7397 11.39207 -2.022614      19.82748 
1 1 1 -2  20 2  o 287.5536 7.988647 4069.479       224.6349 0.000000       0.000000 4069.479       224.6349 ?        ?        287.5536 7.988647 ?              ?        
1 1 1 -2  20 3  o 268.1044 6.136361 3528.036       161.0353 3450.000       275.1168 3568.707       198.6148 264.1490 10.66241 269.3441 7.540941 -5.195129      13.05958 
1 1 1 -2  20 4  o 247.1561 5.746999 2997.282       139.0332 3171.000       249.2623 2918.827       167.5120 253.3543 10.07137 243.6454 7.031304 9.708847       12.28298 
1 1 1 -2  20 5  o 129.5600 3.860233 823.2082       48.89968 870.1000       88.47374 802.5831       58.67644 132.9200 6.822972 127.8616 4.696300 5.058334       8.283006 
1 1 1 -2  20 6  o 175.9744 3.851723 1517.367       66.34538 1637.000       140.0111 1482.726       75.34100 182.2703 7.866181 173.8646 4.430656 8.405716       9.028152 
1 1 1 -2  20 7  o 188.8076 4.675491 1747.823       86.40781 1662.000       146.8279 1793.295       106.8744 183.5929 8.191083 191.0776 5.720669 -7.484726      9.990991 
1 1 1 -2  20 8  o 296.4928 5.778030 4314.581       167.6873 4329.000       337.3275 4309.849       193.2572 295.4723 11.68655 296.1911 6.665878 -0.7188416     13.45397 
1 1 1 -2  20 9  o 121.8273 3.200904 727.5394       38.13704 677.1000       78.59453 743.0731       43.61599 117.1778 6.882675 123.0945 3.623880 -5.916702      7.778414 
1 1 1 -2  20 10 o 248.1126 4.965742 3019.575       120.5977 3233.000       253.7250 2957.287       137.0711 255.6262 10.16056 245.4524 5.705219 10.17386       11.65275 
1 1 1 -2  20 11 o 169.2441 3.741342 1403.693       61.97936 1484.000       131.3404 1380.687       70.29906 173.4739 7.754562 167.7628 4.284530 5.711121       8.859483 
1 1 1 -2  20 12 o 108.6397 4.022258 579.3323       42.69868 0.000000       0.000000 579.3323       42.69868 ?        ?        108.6397 4.022258 ?              ?        
1 1 1 -2  20 13 o 146.1820 4.647221 1049.153       66.41120 0.000000       0.000000 1049.153       66.41120 ?        ?        146.1820 4.647221 ?              ?        
1 1 1 -2  20 14 o 170.4586 3.731976 1424.094       62.26785 1481.000       131.9086 1407.777       70.63288 173.2402 7.798899 169.3888 4.263452 3.851425       8.888186 
1 1 1 -2  20 15 o 134.2739 3.667638 884.3125       48.15898 955.0000       95.23460 860.0256       55.82248 139.1500 7.014689 132.3600 4.314464 6.789963       8.235317 
1 1 1 -2  20 16 o 192.9550 5.973839 1831.091       112.6918 2023.000       168.2647 1675.000       151.7520 202.3258 8.515449 184.0853 8.444369 18.24049       11.99251 
1 1 1 -2  20 17 o 221.8307 6.579671 2422.475       142.7092 2568.000       209.2828 2296.000       195.1047 227.7165 9.409564 215.3338 9.278327 12.38269       13.21466 
1 1 1 -2  20 18 o 132.6473 7.213225 869.1000       93.30328 0.000000       0.000000 869.1000       93.30328 ?        ?        132.6473 7.213225 ?              ?        
1 1 1 -2  20 19 o 194.8069 6.104204 1868.112       116.2528 1858.000       165.3360 1878.000       163.4921 193.6914 8.743230 194.7711 8.596807 -1.079681      12.26169 
1 1 1 -2  20 20 o 249.8008 7.233554 3078.490       176.6827 3072.000       249.6814 3085.000       250.0533 248.5293 10.28589 249.0581 10.27922 -0.5287323     14.54173 
1 1 1 -2  20 21 o 98.00657 5.163837 473.2293       49.36269 456.4000       69.66389 490.2000       69.95580 95.89094 7.481219 99.44180 7.236540 -3.550858      10.40847 
1 1 1 -2  20 22 o 224.4719 6.680201 2485.999       146.6136 2441.000       205.1232 2533.000       209.6363 221.5293 9.481633 225.6609 9.512162 -4.131561      13.43066 
1 1 1 -2  20 23 o 177.4893 5.801288 1552.562       100.6512 1571.000       144.1046 1535.000       140.6431 177.8985 8.298467 175.8756 8.192217 2.022888       11.66092 
1 1 1 -2  20 24 f 226.8511 6.769734 2543.444       150.1525 2658.000       218.5343 2441.000       206.6585 230.7322 9.697833 221.1547 9.569293 9.577499       13.62422 
1 1 1 -2  20 25 o 72.69558 5.957967 262.3784       42.02314 178.5000       58.74249 350.3000       60.14158 58.82915 10.59067 83.77825 7.410272 -24.94910      12.92573 
1 1 1 -2  20 26 o 94.34435 5.322367 440.0876       48.95107 447.3000       70.03893 433.2000       68.44317 94.61744 7.627020 93.11801 7.574500 1.499428       10.74916 
1 1 1 -2  20 27 o 133.7784 5.240431 884.0893       68.48860 901.5000       98.51038 867.8000       95.28513 134.4381 7.515984 131.9292 7.408433 2.508957       10.55343 
1 1 1 -2  20 28 o 222.0260 6.717019 2450.356       145.8098 2518.000       209.6661 2387.000       202.9122 223.2815 9.615867 217.4265 9.557668 5.854980       13.55780 
1 1 1 -2  20 29 o 73.19463 5.916019 267.2752       42.02438 220.3000       60.70688 310.5000       58.23318 65.29134 9.801299 78.44382 7.682525 -13.15248      12.45338 
1 1 1 -2  20 30 o 24.04944 9.586846 16.40147       33.94108 -2.613000      51.00798 31.51000       45.46814 25.51633 11.05936 29.23742 11.25889 -3.721092      15.78201 
1 1 1 -2  20 31 o 117.7858 7.612260 700.1000       87.29326 700.1000       87.29326 0.000000       0.000000 117.7858 7.612260 ?        ?        ?              ?        
1 1 1 -2  20 32 o 65.00837 9.494776 220.6000       58.63484 220.6000       58.63484 0.000000       0.000000 65.00837 9.494776 ?        ?        ?              ?        
1 1 1 -2  20 33 o 145.2230 5.405629 1051.194       76.70596 1081.000       111.0538 1024.000       106.0746 145.8518 7.807304 142.0440 7.657569 3.807800       10.93583 
1 1 1 -2  20 34 o 86.31203 7.670685 380.8000       64.13117 0.000000       0.000000 380.8000       64.13117 ?        ?        86.31203 7.670685 ?              ?        
1 1 1 -2  20 35 o 101.2279 5.201669 512.1503       51.36772 510.3000       73.68036 513.9000       71.65196 99.88657 7.592842 100.3787 7.343373 -0.4921341     10.56297 
1 1 1 -2  20 36 o 70.55856 5.996689 251.7632       41.02394 258.1000       59.99986 246.2000       56.21786 70.11631 8.945738 68.65788 8.549967 1.458427       12.37450 
1 1 1 -2  20 37 o 20.30031 8.831688 -1.958279      32.78136 -8.395000      49.61401 3.029000       43.67207 23.94964 10.62508 23.91625 10.29892 0.3338814E-01  14.79730 
1 1 1 -2  20 38 o 41.21281 9.124130 92.03822       35.83405 40.64000       52.97304 135.4000       48.65577 31.05772 12.09968 49.62069 10.35297 -18.56297      15.92439 
1 1 1 -2  20 39 o 89.19776 5.542727 402.2425       48.15401 465.2000       71.73334 350.6000       64.96823 94.49550 7.825500 81.69271 8.237143 12.80279       11.36173 
1 1 1 -2  20 40 o 33.90773 10.21631 64.02752       36.69596 76.58000       52.17494 51.74000       51.62133 36.71484 12.31568 32.21088 12.09152 4.503963       17.25923 
1 1 1 -2  20 41 o 45.84555 8.902439 115.5588       38.50905 126.0000       54.97523 105.5000       53.95903 46.00198 12.06297 41.96473 12.32656 4.037251       17.24701 
1 1 1 -2  20 42 o 41.59134 9.140658 96.81070       36.19503 134.0000       52.21455 62.41000       50.21878 47.65678 11.35550 33.41167 12.02851 14.24510       16.54184 
1 1 1 -2  20 43 o 30.28887 9.929019 51.19093       33.96365 18.26000       48.67384 82.44000       47.41462 26.09979 11.04409 37.10470 11.69137 -11.00491      16.08291 
1 1 1 -2  20 44 o 46.52945 11.27961 129.7000       50.83226 129.7000       50.83226 0.000000       0.000000 46.52945 11.27961 ?        ?        ?              ?        
1 1 1 -2  20 45 o 60.27387 6.584864 191.4004       38.21794 134.3000       54.14375 248.1000       53.95340 46.77798 11.82169 67.32013 8.367904 -20.54215      14.48358 
1 1 1 -2  20 46 o 51.98755 10.21749 158.0000       50.13877 0.000000       0.000000 158.0000       50.13877 ?        ?        51.98755 10.21749 ?              ?        
1 1 1 -2  20 47 o 44.29776 8.520001 110.4785       35.60136 51.94000       50.88711 166.6000       49.82553 30.73960 11.89132 53.52714 9.873472 -22.78754      15.45604 
1 1 1 -2  20 48 o 25.65803 10.83012 22.40000       46.61497 0.000000       0.000000 22.40000       46.61497 ?        ?        25.65803 10.83012 ?              ?        
1 1 1 -2  20 49 o 39.34310 9.003193 90.20831       33.91928 85.68000       50.39044 93.96000       45.86633 36.27050 12.10217 38.40847 11.38637 -2.137970      16.61662 
1 1 1 -2  20 50 o 35.78343 9.376938 76.27078       33.23345 74.63000       49.99294 77.57000       44.48598 34.03236 12.02864 34.88939 11.35881 -0.8570251     16.54421 
1 1 1 -2  20 51 o 37.06397 8.959136 80.73183       32.14008 112.0000       46.85275 52.94000       44.17153 41.94044 11.20138 29.94211 11.19635 11.99834       15.83758 
1 1 1 -2  20 52 o 39.25812 8.612578 89.44955       32.18377 93.87000       45.88781 85.17000       45.15059 38.03972 11.41613 36.25928 11.40663 1.780445       16.13813 
1 1 1 -2  20 53 o 35.88396 9.125170 76.59859       32.11923 100.9000       47.91661 56.77000       43.28290 39.19931 11.64241 30.51128 11.14095 8.688030       16.11417 
1 1 1 -2  20 54 o 42.90464 11.47005 120.2000       49.09765 120.2000       49.09765 0.000000       0.000000 42.90464 11.47005 ?        ?        ?              ?        
1 1 1 -2  20 55 o 53.92110 9.918651 175.6000       50.42163 0.000000       0.000000 175.6000       50.42163 ?        ?        53.92110 9.918651 ?              ?        
1 1 1 -2  20 56 o 24.43397 9.177899 32.01562       29.75080 12.12000       40.41103 55.56000       43.96071 22.55982 9.810314 29.82831 11.16637 -7.268488      14.86372 
1 1 1 -2  20 57 f 26.86950 9.309892 43.27071       29.85570 22.70000       39.96441 69.25000       44.91201 23.76624 10.02952 32.03618 11.39340 -8.269938      15.17896 
1 1 1 -2  21 1  f 234.4983 5.501650 2698.396       126.2812 2876.000       228.2342 2620.036       151.6010 241.2344 9.685434 230.8222 6.717080 10.41222       11.78672 
1 1 1 -2  21 2  o 207.4873 5.019327 2111.655       101.9397 1963.000       170.4830 2194.384       127.1803 199.4116 8.755569 211.3059 6.155527 -11.89430      10.70283 
1 1 1 -2  21 3  o 580.8898 12.64261 16749.04       718.8475 16440.00       1229.132 16909.70       886.2107 566.9256 22.19248 581.3610 15.58752 -14.43536      27.11968 
1 1 1 -2  21 4  o 209.9584 5.048900 2162.402       103.7615 0.000000       0.000000 2162.402       103.7615 ?        ?        209.9584 5.048900 ?              ?        
1 1 1 -2  21 5  o 247.5727 7.067584 3015.801       171.0942 2985.000       241.1922 3047.000       242.7427 245.6356 10.05274 248.1881 10.01270 -2.552490      14.18844 
1 1 1 -2  21 6  o 84.05503 4.870736 347.6964       39.90251 322.5000       56.26043 373.2000       56.60248 80.66663 7.200933 86.88805 6.707209 -6.221420      9.840736 
1 1 1 -2  21 7  o 360.9962 8.000349 6416.431       282.6948 6330.000       485.8503 6460.670       347.5932 356.1198 13.96506 361.5565 9.830873 -5.436768      17.07832 
1 1 1 -2  21 8  o 236.4072 5.543183 2743.404       128.2703 2789.000       225.4617 2721.582       155.9724 237.4396 9.721491 235.1953 6.782142 2.244354       11.85347 
1 1 1 -2  21 9  o 246.7396 4.951852 2986.788       119.5949 3293.000       256.3090 2901.565       135.2171 257.8835 10.17389 243.1010 5.682491 14.78258       11.65327 
1 1 1 -2  21 10 o 164.3128 4.333237 1324.782       69.63233 1405.000       126.2930 1289.746       83.46495 168.7614 7.665408 162.0229 5.269866 6.738434       9.302148 
1 1 1 -2  21 11 o 201.5483 4.226068 1991.766       83.37233 2140.000       177.0068 1949.504       94.51286 208.1124 8.708566 199.3408 4.843825 8.771622       9.965027 
1 1 1 -2  21 12 o 162.0009 3.651380 1286.260       57.90026 1384.000       124.3740 1259.217       65.42178 167.4766 7.606845 160.1997 4.175658 7.276917       8.677569 
1 1 1 -2  21 13 o 143.3846 4.598772 1009.557       64.45975 0.000000       0.000000 1009.557       64.45975 ?        ?        143.3846 4.598772 ?              ?        
1 1 1 -2  21 14 o 177.4551 5.295882 1547.413       91.88547 0.000000       0.000000 1547.413       91.88547 ?        ?        177.4551 5.295882 ?              ?        
1 1 1 -2  21 15 o 135.2870 5.053895 899.6890       66.80739 964.0000       96.97686 841.6000       92.16642 139.7528 7.112659 130.5343 7.241810 9.218430       10.15055 
1 1 1 -2  21 16 o 124.1923 5.002450 758.4029       60.68679 870.9000       90.66798 667.1000       81.68187 132.8156 6.998971 116.1577 7.219775 16.65791       10.05538 
1 1 1 -2  21 17 o 213.0733 9.111531 2250.000       189.5932 0.000000       0.000000 2250.000       189.5932 ?        ?        213.0733 9.111531 ?              ?        
1 1 1 -2  21 18 o 129.3379 5.091994 822.8952       64.33844 770.8000       89.46340 878.7000       92.59391 124.8198 7.355035 133.3412 7.120157 -8.521309      10.23685 
1 1 1 -2  21 19 o 193.9717 6.044907 1852.942       114.6315 1837.000       161.8203 1869.000       162.4080 192.5209 8.608924 194.2061 8.564616 -1.685226      12.14357 
1 1 1 -2  21 20 f 175.5403 5.715277 1517.509       98.07108 1515.000       138.9507 1520.000       138.4376 174.8390 8.141613 175.1397 8.097295 -0.3007355     11.48269 
1 1 1 -2  21 21 o 46.49313 8.374084 110.2285       36.70800 133.0000       54.10758 90.81000       49.96539 50.63251 11.21340 41.96759 11.71723 8.664925       16.21831 
1 1 1 -2  21 22 o 159.7542 5.514528 1257.663       86.10238 1298.000       124.7804 1221.000       118.9622 161.7201 7.906687 156.8758 7.771425 4.844254       11.08651 
1 1 1 -2  21 23 o 64.70381 6.397719 208.6067       39.98944 210.2000       58.39806 207.2000       54.87355 64.26350 9.575788 63.93032 9.019302 0.3331871      13.15460 
1 1 1 -2  21 24 o 129.2383 5.142051 823.8318       64.91814 919.0000       96.44722 745.0000       87.77986 135.9964 7.271734 122.3841 7.361669 13.61234       10.34757 
1 1 1 -2  21 25 o 108.3041 5.083647 579.2278       53.74187 547.1000       75.01768 613.1000       77.02711 104.7354 7.364466 110.9641 7.129495 -6.228783      10.25012 
1 1 1 -2  21 26 o 164.8159 5.623782 1343.654       90.59350 1264.000       124.9276 1432.000       131.5672 158.9668 8.054960 169.2660 7.963266 -10.29916      11.32678 
1 1 1 -2  21 27 o 84.44268 5.462583 353.9818       44.90862 331.6000       63.99363 375.7000       63.03790 81.00340 8.183083 86.47173 7.522472 -5.468330      11.11532 
1 1 1 -2  21 28 o 133.4523 5.260404 882.2542       68.58036 850.4000       96.47066 914.8000       97.51229 130.1651 7.604845 135.1063 7.401843 -4.941208      10.61230 
1 1 1 -2  21 29 o 108.2111 5.220416 581.1615       55.13153 552.5000       78.25917 609.4000       77.67957 104.6531 7.693486 110.1165 7.247181 -5.463440      10.56936 
1 1 1 -2  21 30 o 121.8294 7.549444 749.0000       89.58479 749.0000       89.58479 0.000000       0.000000 121.8294 7.549444 ?        ?        ?              ?        
1 1 1 -2  21 31 o 52.41227 10.77161 147.4000       53.41257 147.4000       53.41257 0.000000       0.000000 52.41227 10.77161 ?        ?        ?              ?        
1 1 1 -2  21 32 o 90.56371 5.339286 409.5383       47.12077 306.9000       64.60519 526.2000       68.87744 77.04552 8.719804 102.0265 6.938240 -24.98100      11.14335 
1 1 1 -2  21 33 o 76.59837 8.071437 302.0000       59.60825 0.000000       0.000000 302.0000       59.60825 ?        ?        76.59837 8.071437 ?              ?        
1 1 1 -2  21 34 o 69.16541 5.953039 241.5440       39.91093 220.8000       56.03678 262.9000       56.85731 64.81219 9.081956 71.18288 8.316830 -6.370689      12.31469 
1 1 1 -2  21 35 o 40.43830 8.821628 87.54391       33.93318 74.76000       48.20596 100.1000       47.77449 37.09979 11.80090 42.47967 11.29546 -5.379883      16.33550 
1 1 1 -2  21 36 o 88.72868 5.337751 395.3903       46.14405 311.8000       63.69787 487.7000       66.93771 77.19444 8.574593 97.68118 7.048293 -20.48673      11.09964 
1 1 1 -2  21 37 o 85.44173 5.504717 368.0080       45.79248 294.3000       63.92475 445.7000       65.62959 74.60382 8.931173 93.09328 7.259727 -18.48946      11.50954 
1 1 1 -2  21 38 o 20.83293 8.997365 1.063856       33.52084 25.89000       50.07783 -19.09000      45.12009 28.18379 11.49789 21.48241 9.777029 6.701382       15.09277 
1 1 1 -2  21 39 o 87.37691 5.545243 387.3237       47.18209 396.7000       68.16580 378.7000       65.37289 86.72251 8.124843 84.83638 7.965626 1.886131       11.37824 
1 1 1 -2  21 40 o 81.21941 5.765073 337.1640       45.53431 409.8000       66.62540 273.5000       62.37501 88.07460 7.809135 70.83065 9.214947 17.24395       12.07882 
1 1 1 -2  21 41 o 61.55965 6.689679 198.2776       39.66211 203.7000       57.03514 193.2000       55.19166 60.12828 10.04485 58.57564 9.983778 1.552643       14.16244 
1 1 1 -2  21 42 o 53.74274 7.278294 153.8884       37.30421 164.5000       54.29483 144.4000       51.34122 53.17415 10.80062 49.68597 10.86047 3.488178       15.31676 
1 1 1 -2  21 43 f 60.60563 9.815942 208.2000       56.24057 208.2000       56.24057 0.000000       0.000000 60.60563 9.815942 ?        ?        ?              ?        
1 1 1 -2  21 44 o 25.79016 9.547761 33.05135       31.96800 19.77000       45.94986 45.51000       44.50396 25.63327 10.78234 29.54034 11.19653 -3.907064      15.54417 
1 1 1 -2  21 45 o 32.65846 11.36786 63.03000       44.53848 0.000000       0.000000 63.03000       44.53848 ?        ?        32.65846 11.36786 ?              ?        
1 1 1 -2  21 46 o 59.73662 6.494354 189.0249       37.36322 112.2000       52.93472 265.3000       52.74495 41.89127 12.18230 69.69498 7.869111 -27.80371      14.50280 
1 1 1 -2  21 47 o 66.09924 6.217068 230.3773       39.75196 192.8000       56.62217 266.9000       55.82191 56.81041 10.57140 69.22635 8.410444 -12.41594      13.50889 
1 1 1 -2  21 48 o 23.10292 9.303558 21.76268       32.30273 78.12000       47.75894 -25.76000      43.85609 34.91426 11.78336 19.55275 9.155027 15.36152       14.92187 
1 1 1 -2  21 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  21 50 o 31.64859 9.508951 59.82476       31.82295 85.60000       46.27605 36.70000       43.83223 36.40554 11.56018 27.15713 10.87143 9.248407       15.86902 
1 1 1 -2  21 51 o 38.76441 8.775409 87.73020       32.51916 94.21000       46.71873 81.64000       45.29250 38.02433 11.54256 35.51760 11.45325 2.506721       16.26061 
1 1 1 -2  21 52 o 22.93549 9.107691 23.25868       30.51886 2.476000       43.73704 42.98000       42.60558 22.24908 9.916920 27.94549 10.86138 -5.696404      14.70765 
1 1 1 -2  21 53 o 31.53493 11.61594 62.62000       47.21452 62.62000       47.21452 0.000000       0.000000 31.53493 11.61594 ?        ?        ?              ?        
1 1 1 -2  21 54 o 21.82924 9.713921 3.157000       41.78898 0.000000       0.000000 3.157000       41.78898 ?        ?        21.82924 9.713921 ?              ?        
1 1 1 -2  21 55 o 45.75709 7.623089 118.2319       32.94191 111.2000       45.06622 126.3000       48.27269 41.39981 10.95323 43.99453 11.18647 -2.594727      15.65600 
1 1 1 -2  21 56 o 26.38799 9.180290 41.10291       29.04429 7.002000       38.73286 84.91000       43.90043 21.43890 9.455252 35.45246 11.25978 -14.01356      14.70322 
1 1 1 -2  21 57 o 20.61654 8.626151 14.52654       29.16992 -1.597000      39.46609 33.94000       43.30574 20.41892 9.233669 25.74245 10.61778 -5.323528      14.07117 
1 1 1 -2  22 1  o 316.3130 7.097082 4921.240       219.7370 4899.000       379.8484 4932.426       269.3871 313.7708 12.39215 316.1569 8.713290 -2.386047      15.14882 
1 1 1 -2  22 2  o 202.3575 4.279606 2007.727       84.76749 2003.000       169.9058 2009.293       97.81001 201.3762 8.639832 202.3755 4.937636 -0.9993134     9.951229 
1 1 1 -2  22 3  o 237.8284 5.581982 2776.860       129.9446 2640.000       219.2170 2851.000       161.3470 230.9682 9.718233 240.6965 6.855317 -9.728271      11.89283 
1 1 1 -2  22 4  o 153.3527 4.204440 1153.870       63.05156 1143.000       109.9521 1159.197       76.96314 152.2248 7.401426 153.6124 5.125769 -1.387558      9.003034 
1 1 1 -2  22 5  o 410.0774 9.022489 8298.581       362.1583 0.000000       0.000000 8298.581       362.1583 ?        ?        410.0774 9.022489 ?              ?        
1 1 1 -2  22 6  o 140.2708 4.900382 966.5264       67.17936 1088.000       102.7081 875.7000       88.81165 148.5482 7.084095 133.2704 6.830956 15.27782       9.841056 
1 1 1 -2  22 7  o 167.0750 4.378058 1369.833       71.53604 1548.000       133.4928 1298.058       84.72876 177.1299 7.717977 162.5290 5.333131 14.60092       9.381335 
1 1 1 -2  22 8  o 102.6244 3.841881 516.9720       38.52417 562.4000       69.98314 497.2211       46.14503 106.7301 6.733169 100.5667 4.700758 6.163353       8.211740 
1 1 1 -2  22 9  o 173.1201 3.861902 1469.183       65.44174 1410.000       130.2833 1489.154       75.68220 168.9812 7.898548 174.1909 4.442389 -5.209656      9.062113 
1 1 1 -2  22 10 o 187.3087 4.038558 1720.203       74.04411 1791.000       153.9918 1698.912       84.44686 190.3963 8.282722 186.0924 4.636056 4.303955       9.491918 
1 1 1 -2  22 11 o 135.1888 3.821997 896.6505       50.52441 0.000000       0.000000 896.6505       50.52441 ?        ?        135.1888 3.821997 ?              ?        
1 1 1 -2  22 12 o 130.5130 3.785583 835.7500       48.30963 763.3000       86.74624 868.3222       58.16411 124.3095 7.159477 132.9686 4.475268 -8.659126      8.443111 
1 1 1 -2  22 13 o 104.5260 3.468045 536.0871       35.43345 635.3000       73.97608 506.5479       40.36514 113.4307 6.692507 101.5521 4.069035 11.87854       7.832414 
1 1 1 -2  22 14 o 74.16885 3.610294 270.3102       26.13146 0.000000       0.000000 270.3102       26.13146 ?        ?        74.16885 3.610294 ?              ?        
1 1 1 -2  22 15 o 248.4684 5.722909 3034.780       139.1855 0.000000       0.000000 3034.780       139.1855 ?        ?        248.4684 5.722909 ?              ?        
1 1 1 -2  22 16 o 71.80093 3.297230 253.2258       23.11131 0.000000       0.000000 253.2258       23.11131 ?        ?        71.80093 3.297230 ?              ?        
1 1 1 -2  22 17 o 206.5933 6.297653 2102.929       127.2020 2259.000       187.5568 1970.000       173.0939 213.3949 8.999504 199.2840 8.896089 14.11090       12.65431 
1 1 1 -2  22 18 o 186.5011 5.909564 1713.484       107.7443 1705.000       152.2269 1722.000       152.5205 185.4208 8.409276 186.3523 8.383021 -0.9314880     11.87396 
1 1 1 -2  22 19 f 203.5298 6.257072 2042.824       124.5057 2166.000       182.2375 1935.000       170.5030 208.7687 8.938663 197.3320 8.849828 11.43675       12.57852 
1 1 1 -2  22 20 o 135.7552 5.248027 907.9020       69.60491 832.1000       96.50234 990.1000       100.4912 129.4727 7.648790 141.3567 7.287422 -11.88400      10.56459 
1 1 1 -2  22 21 o 61.04966 6.733375 186.2559       39.56910 242.5000       59.07894 140.5000       53.28658 69.29138 8.917070 52.04876 10.81295 17.24262       14.01550 
1 1 1 -2  22 22 o 105.1460 5.177426 545.6730       53.12210 563.2000       77.18641 529.9000       73.22225 106.3505 7.462081 103.1825 7.296947 3.168015       10.43686 
1 1 1 -2  22 23 o 88.27440 5.280995 385.4112       45.42205 392.4000       64.65379 378.6000       63.82714 88.60187 7.526105 87.00849 7.569677 1.593376       10.67437 
1 1 1 -2  22 24 o 203.0861 6.287393 2043.080       124.8342 1953.000       172.1406 2143.000       181.2997 197.3491 8.934489 206.7173 8.981557 -9.368240      12.66860 
1 1 1 -2  22 25 o 128.8709 5.165268 821.0444       65.02393 828.3000       92.64454 814.0000       91.28596 128.7720 7.381001 127.6678 7.335819 1.104149       10.40641 
1 1 1 -2  22 26 o 56.15882 6.989980 159.3620       37.59444 153.2000       53.89920 165.2000       52.46301 54.02489 10.57124 56.37263 9.867029 -2.347736      14.46062 
1 1 1 -2  22 27 o 51.06924 7.437647 133.0258       36.08780 128.2000       52.65648 137.3000       49.55622 49.04491 11.21344 51.06394 10.27092 -2.019032      15.20635 
1 1 1 -2  22 28 o 74.58094 5.802384 277.9287       42.02545 262.0000       59.67644 293.6000       59.19244 71.48826 8.707725 75.95612 8.085676 -4.467857      11.88287 
1 1 1 -2  22 29 o 89.05533 7.812041 402.8000       67.40839 402.8000       67.40839 0.000000       0.000000 89.05533 7.812041 ?        ?        ?              ?        
1 1 1 -2  22 30 o 154.0234 5.509743 1182.396       82.93237 1089.000       113.5930 1289.000       121.3600 146.3774 7.958072 159.3978 7.802050 -13.02032      11.14463 
1 1 1 -2  22 31 o 61.54921 6.432063 191.9542       38.17927 169.0000       55.27275 212.9000       52.79942 56.19172 10.43323 64.02167 8.646322 -7.829952      13.55032 
1 1 1 -2  22 32 o 105.1076 7.316514 562.1000       74.80396 0.000000       0.000000 562.1000       74.80396 ?        ?        105.1076 7.316514 ?              ?        
1 1 1 -2  22 33 o 74.57794 5.592750 279.6807       40.52910 217.3000       56.09669 347.8000       58.62016 64.21429 9.186231 82.45299 7.339951 -18.23869      11.75847 
1 1 1 -2  22 34 o 57.25596 6.754888 167.9823       37.12902 180.2000       53.46324 156.6000       51.60289 58.00585 9.762578 53.79898 10.17183 4.206867       14.09873 
1 1 1 -2  22 35 o 38.17953 9.153703 78.93404       33.76475 109.5000       49.12282 51.56000       46.48724 44.25377 11.30179 32.25369 11.57781 12.00008       16.17950 
1 1 1 -2  22 36 o 112.1749 5.100082 630.9902       55.85235 639.4000       80.27718 623.1000       77.75739 111.4633 7.399799 110.1334 7.253389 1.329933       10.36189 
1 1 1 -2  22 37 o 61.86498 6.332583 196.2894       37.80656 219.7000       54.45197 174.5000       52.53275 64.12962 8.915341 56.52984 9.851851 7.599773       13.28692 
1 1 1 -2  22 38 o 72.22953 5.921330 266.4951       41.49677 226.0000       57.44082 310.7000       60.01433 64.50401 9.371612 76.67304 8.119868 -12.16903      12.39997 
1 1 1 -2  22 39 o 70.13856 6.259940 253.7536       42.52548 328.7000       61.73954 186.1000       58.65886 78.56823 8.146121 57.11938 10.88901 21.44884       13.59889 
1 1 1 -2  22 40 o 71.34048 6.110841 263.0080       42.26142 316.5000       60.67391 212.6000       58.89895 76.74787 8.203700 61.34667 10.16428 15.40120       13.06190 
1 1 1 -2  22 41 o 58.76691 6.569426 180.9941       37.14334 193.9000       53.28974 168.8000       51.79921 58.79934 9.589192 54.42226 10.09552 4.377071       13.92380 
1 1 1 -2  22 42 o 40.36666 11.63911 99.18000       48.50900 99.18000       48.50900 0.000000       0.000000 40.36666 11.63911 ?        ?        ?              ?        
1 1 1 -2  22 43 o 32.54608 9.549211 60.94101       32.39840 69.31000       47.07556 53.41000       44.65660 34.12433 11.69588 30.99104 11.31633 3.133287       16.27430 
1 1 1 -2  22 44 o 47.19815 10.74734 133.0000       48.53560 0.000000       0.000000 133.0000       48.53560 ?        ?        47.19815 10.74734 ?              ?        
1 1 1 -2  22 45 o 31.36103 9.683581 57.31365       32.70357 89.05000       48.30647 30.46000       44.43533 37.65327 11.79196 26.70396 10.85444 10.94930       16.02714 
1 1 1 -2  22 46 o 33.27531 9.648688 65.35400       33.24975 36.29000       47.98366 92.20000       46.11640 27.90912 11.30322 38.34908 11.42942 -10.43995      16.07465 
1 1 1 -2  22 47 o 26.45372 9.610719 38.11164       32.15186 20.00000       46.68706 54.45000       44.34267 25.17188 10.73987 30.41123 11.24736 -5.239351      15.55146 
1 1 1 -2  22 48 o 57.66407 6.544325 178.4458       36.28577 145.5000       51.71242 210.4000       50.92822 48.10924 11.19286 60.60927 8.845031 -12.50003      14.26586 
1 1 1 -2  22 49 o 35.15066 9.334589 73.65472       32.65367 69.83000       47.36166 77.12000       45.08121 33.14995 11.70862 34.70350 11.44246 -1.553551      16.37136 
1 1 1 -2  22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  22 51 o 28.81920 9.574760 49.24979       31.54804 109.9000       45.83876 -5.333000      43.48552 41.43774 11.08507 21.29973 9.656171 20.13801       14.70103 
1 1 1 -2  22 52 o 32.16723 11.59020 66.03000       46.63710 66.03000       46.63710 0.000000       0.000000 32.16723 11.59020 ?        ?        ?              ?        
1 1 1 -2  22 53 o 19.53678 9.025107 -14.83000      40.43477 0.000000       0.000000 -14.83000      40.43477 ?        ?        19.53678 9.025107 ?              ?        
1 1 1 -2  22 54 f 20.53107 8.636906 12.32566       29.48723 -20.40000      40.30858 50.00000       43.24900 18.90342 8.826777 28.89309 11.01713 -9.989668      14.11698 
1 1 1 -2  22 55 o 19.13004 8.274663 6.073232       28.43886 21.59000       38.21311 -13.19000      42.57713 23.46120 9.848521 19.98502 9.242391 3.476179       13.50612 
1 1 1 -2  22 56 o 39.95490 8.217550 94.12036       31.06447 64.38000       41.62674 131.5000       46.66774 31.06131 10.97633 44.74390 10.78322 -13.68260      15.38693 
1 1 1 -2  23 1  o 297.7153 6.741624 4359.527       196.4590 3999.000       321.8938 4573.540       248.0063 283.5277 11.62339 304.4263 8.330725 -20.89862      14.30049 
1 1 1 -2  23 2  o 256.0290 5.143503 3217.490       128.9004 2910.000       242.0340 3339.235       152.2953 242.2423 10.23055 260.6969 5.968214 -18.45457      11.84415 
1 1 1 -2  23 3  o 346.3315 6.672688 5899.211       226.2033 6042.000       460.3231 5853.755       259.7252 347.5968 13.55546 344.7153 7.697457 2.881500       15.58850 
1 1 1 -2  23 4  o 206.0402 5.022905 2083.538       101.3009 1977.000       171.2219 2140.913       125.6514 199.9421 8.770141 208.6207 6.159984 -8.678528      10.71731 
1 1 1 -2  23 5  o 197.7500 4.876493 1918.981       94.39094 1970.000       167.0178 1895.039       114.4154 199.6271 8.567405 196.2936 5.961776 3.333496       10.43759 
1 1 1 -2  23 6  o 170.4679 3.828773 1424.578       63.88641 1365.000       126.7579 1444.865       73.96814 166.2481 7.811385 171.5747 4.408035 -5.326553      8.969309 
1 1 1 -2  23 7  o 136.3309 4.841998 913.2305       64.51119 0.000000       0.000000 913.2305       64.51119 ?        ?        136.3309 4.841998 ?              ?        
1 1 1 -2  23 8  o 84.54864 4.583307 351.7443       37.78896 405.4000       60.43582 317.3000       48.42223 90.50516 6.873447 80.09782 6.224989 10.40734       9.273336 
1 1 1 -2  23 9  o 248.1044 4.999019 3021.743       121.4019 3224.000       254.2252 2961.995       138.1746 254.8597 10.21154 245.5197 5.749574 9.339935       11.71893 
1 1 1 -2  23 10 o 234.8734 4.779091 2707.556       109.8716 2740.000       223.2012 2697.180       126.2236 235.0388 9.722755 234.3146 5.503450 0.7242432      11.17228 
1 1 1 -2  23 11 o 151.0666 4.073523 1120.100       60.17947 1163.000       110.8991 1102.194       71.64576 153.4354 7.405952 149.7582 4.894150 3.677155       8.876983 
1 1 1 -2  23 12 o 59.71058 4.197711 175.7646       24.37777 0.000000       0.000000 175.7646       24.37777 ?        ?        59.71058 4.197711 ?              ?        
1 1 1 -2  23 13 o 150.4199 3.551361 1109.311       52.28851 1234.000       114.3616 1076.356       58.79388 158.0114 7.414783 148.0733 4.060309 9.938034       8.453704 
1 1 1 -2  23 14 o 137.6145 4.488975 930.5087       60.38597 0.000000       0.000000 930.5087       60.38597 ?        ?        137.6145 4.488975 ?              ?        
1 1 1 -2  23 15 o 27.80396 4.594849 38.95444       12.06860 0.000000       0.000000 38.95444       12.06860 ?        ?        27.80396 4.594849 ?              ?        
1 1 1 -2  23 16 o 138.5533 4.410976 943.4768       59.74534 0.000000       0.000000 943.4768       59.74534 ?        ?        138.5533 4.410976 ?              ?        
1 1 1 -2  23 17 o 131.4474 5.149826 850.8242       66.13167 920.9000       96.76154 789.4000       90.59166 136.3561 7.276078 126.1975 7.365854 10.15852       10.35360 
1 1 1 -2  23 18 o 70.22590 5.962525 244.6829       40.59872 243.3000       57.06834 246.1000       57.76857 69.52806 8.566420 69.92004 8.623315 -0.3919754     12.15504 
1 1 1 -2  23 19 o 188.5727 5.985305 1754.798       110.3370 1704.000       154.2676 1808.000       157.8750 185.0317 8.540739 190.6271 8.482257 -5.595444      12.03715 
1 1 1 -2  23 20 o 149.6277 5.367518 1104.226       78.48517 1117.000       112.2336 1092.000       109.7961 149.8930 7.675093 148.2265 7.592842 1.666519       10.79622 
1 1 1 -2  23 21 o 66.82816 6.028158 222.2953       39.00867 232.7000       56.47213 212.8000       53.94759 67.79111 8.711637 64.77724 8.730371 3.013870       12.33337 
1 1 1 -2  23 22 o 91.56956 5.192195 414.7117       46.34737 487.1000       68.68594 354.2000       62.79910 98.82361 7.149024 84.04977 7.719414 14.77383       10.52131 
1 1 1 -2  23 23 o 92.79037 5.256799 426.3215       47.55000 434.0000       68.30141 419.1000       66.23776 93.05681 7.563678 91.46374 7.463444 1.593071       10.62602 
1 1 1 -2  23 24 o 78.42304 5.613296 305.7979       42.80418 284.9000       60.75106 326.4000       60.31975 74.94097 8.427789 80.47923 7.753030 -5.538261      11.45151 
1 1 1 -2  23 25 o 135.1976 5.214582 905.2660       68.87788 856.8000       95.50373 957.8000       99.43099 130.7003 7.496580 138.2650 7.373551 -7.564713      10.51513 
1 1 1 -2  23 26 o 70.39320 5.893661 247.7781       40.23655 290.2000       59.17566 211.3000       54.87371 75.53764 8.131296 64.04197 9.001872 11.49567       12.13061 
1 1 1 -2  23 27 o 49.22758 7.751675 124.6332       36.11782 115.3000       51.30964 133.8000       50.85009 46.27055 11.40340 50.10233 10.69446 -3.831776      15.63358 
1 1 1 -2  23 28 o 71.54949 8.549210 263.4000       58.69056 263.4000       58.69056 0.000000       0.000000 71.54949 8.549210 ?        ?        ?              ?        
1 1 1 -2  23 29 f 113.6306 5.138534 642.9332       57.00533 656.6000       82.08205 630.2000       79.22906 113.7965 7.409368 111.5346 7.297266 2.261833       10.39946 
1 1 1 -2  23 30 o 50.19406 10.48138 135.9000       49.83178 0.000000       0.000000 135.9000       49.83178 ?        ?        50.19406 10.48138 ?              ?        
1 1 1 -2  23 31 o 70.62361 8.313463 258.5000       56.36996 0.000000       0.000000 258.5000       56.36996 ?        ?        70.62361 8.313463 ?              ?        
1 1 1 -2  23 32 o 79.68922 5.333257 318.5211       41.36098 301.3000       58.36029 335.9000       58.62716 76.39375 7.919391 80.91520 7.487120 -4.521454      10.89834 
1 1 1 -2  23 33 o 87.08430 5.270356 380.3440       44.71449 323.0000       61.78719 443.4000       64.79140 78.92056 8.113837 93.12701 7.162797 -14.20645      10.82312 
1 1 1 -2  23 34 o 62.61408 6.087976 199.4122       36.84172 183.1000       52.36565 215.4000       51.84243 58.45677 9.475919 64.01480 8.482225 -5.558029      12.71775 
1 1 1 -2  23 35 o 59.43644 6.367665 180.8759       36.46908 181.7000       52.36820 180.1000       50.81691 58.06124 9.546036 57.94595 9.271853 0.1152878      13.30767 
1 1 1 -2  23 36 o 56.74696 6.764637 166.6093       36.83557 120.2000       51.07835 216.9000       53.17139 45.89783 11.41662 63.77635 8.747756 -17.87851      14.38271 
1 1 1 -2  23 37 o 66.04489 6.070281 223.6453       38.80367 213.0000       54.36628 234.7000       55.40173 62.72269 9.122396 66.10855 8.778453 -3.385864      12.66015 
1 1 1 -2  23 38 o 53.95031 7.214676 153.5174       37.14513 87.31000       50.73613 230.0000       54.53122 38.46667 12.09032 65.17152 8.770776 -26.70485      14.93661 
1 1 1 -2  23 39 o 34.59771 9.704650 68.15706       34.19036 25.14000       46.95626 116.7000       49.88111 26.88633 11.06952 44.30819 11.42703 -17.42185      15.90947 
1 1 1 -2  23 40 o 16.11203 7.576380 -26.70949      30.59290 -27.17000      42.61959 -26.22000      43.94042 19.59433 9.125010 20.02350 9.304685 -0.4291706     13.03238 
1 1 1 -2  23 41 o 33.04261 11.57267 63.21000       46.19887 63.21000       46.19887 0.000000       0.000000 33.04261 11.57267 ?        ?        ?              ?        
1 1 1 -2  23 42 o 22.67250 9.101593 18.91485       30.81192 37.58000       43.75896 0.5609000      43.39262 28.05415 10.97756 22.60590 9.987244 5.448254       14.84089 
1 1 1 -2  23 43 o 23.47305 10.20012 7.854000       43.62106 0.000000       0.000000 7.854000       43.62106 ?        ?        23.47305 10.20012 ?              ?        
1 1 1 -2  23 44 o 51.67173 7.298698 144.5664       35.88841 180.3000       52.90204 114.1000       48.84780 55.55048 10.10121 42.88807 11.42966 12.66241       15.25358 
1 1 1 -2  23 45 o 40.45061 8.728148 93.47407       33.54286 91.16000       48.18370 95.65000       46.72351 37.92640 11.76141 39.02778 11.47213 -1.101376      16.42987 
1 1 1 -2  23 46 o 29.07355 9.683646 49.22474       32.26524 32.60000       46.82037 64.26000       44.52591 26.98154 11.07518 32.31989 11.35800 -5.338348      15.86392 
1 1 1 -2  23 47 o 74.01663 5.685191 286.9581       40.87361 390.3000       61.25198 204.0000       54.87962 84.42211 7.490035 58.63068 9.915855 25.79143       12.42678 
1 1 1 -2  23 48 o 75.60728 5.610608 299.1763       41.22623 358.4000       60.30084 247.2000       56.49085 80.51151 7.747253 65.45115 9.060399 15.06036       11.92102 
1 1 1 -2  23 49 o 39.27415 8.669349 89.88052       32.43401 66.91000       46.69159 111.3000       45.08768 32.40878 11.60684 41.92949 10.88986 -9.520714      15.91564 
1 1 1 -2  23 50 o 24.52881 9.404699 30.54795       31.63009 30.00000       45.28323 31.07000       44.19985 26.05469 10.81227 26.08842 10.74022 -0.3373146E-01 15.24000 
1 1 1 -2  23 51 o 35.35718 12.14863 84.17000       50.79942 84.17000       50.79942 0.000000       0.000000 35.35718 12.14863 ?        ?        ?              ?        
1 1 1 -2  23 52 o 30.83270 11.17681 59.83000       43.45181 0.000000       0.000000 59.83000       43.45181 ?        ?        30.83270 11.17681 ?              ?        
1 1 1 -2  23 53 o 24.27643 9.258802 30.52688       30.54988 -0.7974000     42.11344 65.32000       44.38404 21.37514 9.613559 31.83523 11.32578 -10.46010      14.85577 
1 1 1 -2  23 54 o 34.34072 9.158524 71.95923       31.34946 84.28000       43.26521 58.34000       45.48793 35.54116 11.16389 30.21413 11.34869 5.327030       15.91933 
1 1 1 -2  23 55 o 31.91481 9.174599 63.13208       30.18361 73.83000       41.05693 50.55000       44.52591 33.16225 10.91913 28.50246 11.09624 4.659784       15.56772 
1 1 1 -2  24 1  o 140.1442 3.528150 963.3015       48.35963 1036.000       101.7008 942.0611       54.97218 144.8589 7.195058 138.5411 4.058134 6.317810       8.260588 
1 1 1 -2  24 2  o 265.5280 5.300009 3462.548       137.7505 3256.000       265.5072 3538.622       161.1337 255.9496 10.62087 268.2718 6.136279 -12.32214      12.26609 
1 1 1 -2  24 3  o 137.0428 3.511351 921.1595       47.06289 933.4000       96.15576 917.3035       53.96907 137.4802 7.170219 136.7075 4.037593 0.7727509      8.228865 
1 1 1 -2  24 4  o 133.7818 4.025483 878.4964       52.65344 726.3000       86.98235 966.5204       66.14996 121.1904 7.367382 140.2430 4.826028 -19.05256      8.807319 
1 1 1 -2  24 5  o 120.1036 3.898932 708.0777       45.77540 759.3000       83.99968 686.4409       54.59394 123.9863 6.949269 118.1689 4.729479 5.817444       8.405969 
1 1 1 -2  24 6  o 232.6159 5.506620 2658.636       125.3807 2741.000       222.7127 2620.419       151.7051 235.0331 9.701622 230.6195 6.727634 4.413620       11.80604 
1 1 1 -2  24 7  o 231.9525 4.744428 2640.990       107.7182 2777.000       224.0185 2600.085       122.8530 236.5454 9.695824 230.0390 5.456048 6.506485       11.12553 
1 1 1 -2  24 8  o 160.4773 4.325737 1264.509       67.88654 1222.000       118.1379 1285.466       82.94954 157.1969 7.701281 161.6788 5.248444 -4.481873      9.319651 
1 1 1 -2  24 9  o 136.5880 4.867014 917.2490       64.96608 0.000000       0.000000 917.2490       64.96608 ?        ?        136.5880 4.867014 ?              ?        
1 1 1 -2  24 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  24 11 o 139.7079 5.169013 960.2979       70.56432 1024.000       102.5908 903.1000       97.21236 143.9032 7.307275 135.1046 7.378989 8.798584       10.38488 
1 1 1 -2  24 12 o 28.58301 6.169098 41.75689       16.75309 0.000000       0.000000 41.75689       16.75309 ?        ?        28.58301 6.169098 ?              ?        
1 1 1 -2  24 13 o 12.40674 5.545483 -5.975099      13.77741 0.000000       0.000000 -5.975099      13.77741 ?        ?        12.40674 5.545483 ?              ?        
1 1 1 -2  24 14 o 111.4067 3.197474 608.9988       34.83174 567.7000       77.68472 619.3906       38.96837 106.9376 7.468572 112.3208 3.548881 -5.383179      8.268865 
1 1 1 -2  24 15 o 131.6847 3.288297 850.3583       42.38504 1039.000       100.8510 809.8907       46.71055 144.8622 7.134393 128.4244 3.719795 16.43782       8.045896 
1 1 1 -2  24 16 o 258.2285 5.150720 3280.373       130.1902 3496.000       275.3781 3218.306       147.7442 264.1528 10.67243 255.5672 5.906080 8.585632       12.19764 
1 1 1 -2  24 17 o 87.04327 5.311130 374.3655       45.03562 413.5000       64.93742 338.1000       62.51179 91.11746 7.343076 82.22322 7.862808 8.894241       10.75846 
1 1 1 -2  24 18 o 64.42999 6.364264 206.9951       39.61311 278.0000       59.16417 149.3000       53.33152 74.34879 8.269538 53.68171 10.52601 20.66708       13.38589 
1 1 1 -2  24 19 o 102.7251 5.157897 521.2056       51.69682 551.0000       74.82938 494.0000       71.50458 105.1525 7.315820 99.51936 7.393216 5.633186       10.40100 
1 1 1 -2  24 20 o 133.0241 5.173498 873.7041       67.23450 873.0000       95.36237 874.4000       94.80794 132.3699 7.389390 132.4922 7.339194 -0.1222382     10.41474 
1 1 1 -2  24 21 o 44.48603 8.354138 101.9587       35.04190 103.5000       50.25352 100.5000       48.88814 44.28003 11.49501 43.65656 11.34009 0.6234779      16.14722 
1 1 1 -2  24 22 o 110.0082 5.121156 598.8204       54.99281 505.3000       74.08294 713.6000       82.07246 100.3589 7.597915 119.5483 7.044938 -19.18941      10.36144 
1 1 1 -2  24 23 o 141.7779 5.295675 995.5379       73.36217 991.3000       103.6024 999.8000       103.8978 140.6206 7.554610 141.2288 7.543188 -0.6082458     10.67576 
1 1 1 -2  24 24 o 83.94074 5.408856 350.4395       44.20452 351.1000       63.02471 349.8000       62.01675 83.30522 7.820621 83.18956 7.703615 0.1156616      10.97760 
1 1 1 -2  24 25 o 99.79008 5.200466 494.6670       50.62145 526.9000       72.93034 464.7000       70.32008 102.2665 7.334355 95.92789 7.549885 6.338631       10.52585 
1 1 1 -2  24 26 o 43.06068 8.677103 97.23962       35.30792 49.37000       48.80616 149.8000       51.14154 32.76849 11.85003 53.17322 10.19684 -20.40472      15.63326 
1 1 1 -2  24 27 f 123.7085 7.397696 774.5000       89.16901 774.5000       89.16901 0.000000       0.000000 123.7085 7.397696 ?        ?        ?              ?        
1 1 1 -2  24 28 o 90.36472 5.231685 407.5556       46.07718 358.9000       63.71500 460.9000       66.71438 83.75370 7.863974 95.31005 7.204478 -11.55635      10.66520 
1 1 1 -2  24 29 o 57.02598 9.867084 173.1000       53.08380 0.000000       0.000000 173.1000       53.08380 ?        ?        57.02598 9.867084 ?              ?        
1 1 1 -2  24 30 o 100.6403 7.376681 517.0000       72.16253 0.000000       0.000000 517.0000       72.16253 ?        ?        100.6403 7.376681 ?              ?        
1 1 1 -2  24 31 o 65.76321 5.976255 218.9408       38.04995 166.6000       52.93374 274.9000       54.73287 55.57829 10.10219 72.95534 7.784651 -17.37705      12.75363 
1 1 1 -2  24 32 f 32.05674 9.452540 55.03194       31.67919 14.34000       45.12393 94.58000       44.48517 25.83954 10.76391 41.33525 10.85700 -15.49571      15.28843 
1 1 1 -2  24 33 o 57.08963 6.382196 166.8282       35.05479 187.2000       51.62589 149.4000       47.75051 59.20780 9.207154 52.56816 9.634978 6.639637       13.32683 
1 1 1 -2  24 34 o 36.32188 9.166395 71.96226       32.58505 22.24000       46.45989 120.1000       45.71362 27.09458 11.06671 46.60590 10.29567 -19.51133      15.11532 
1 1 1 -2  24 35 o 84.40912 5.278740 359.7088       43.39566 359.4000       62.29395 360.0000       60.48737 82.92886 7.764498 83.16569 7.511318 -0.2368240     10.80312 
1 1 1 -2  24 36 o 44.56668 8.230292 107.0956       34.58080 72.38000       48.36663 143.4000       49.46101 35.74174 11.85474 50.52395 10.34974 -14.78221      15.73696 
1 1 1 -2  24 37 o 23.77817 9.440521 20.95428       32.78423 6.008000       45.93653 36.47000       46.80342 24.23130 10.49882 28.80317 11.32837 -4.571863      15.44529 
1 1 1 -2  24 38 o 51.26279 7.274657 139.8906       35.47849 117.7000       49.83267 162.7000       50.52277 44.48001 11.39565 53.57605 10.00183 -9.096031      15.16237 
1 1 1 -2  24 39 o 34.51442 9.308988 67.77419       32.16534 84.23000       44.38881 49.58000       46.67456 37.59885 11.21510 30.66086 11.50012 6.937992       16.06334 
1 1 1 -2  24 40 o 32.85732 11.37453 62.60000       44.56189 62.60000       44.56189 0.000000       0.000000 32.85732 11.37453 ?        ?        ?              ?        
1 1 1 -2  24 41 o 63.21603 6.145657 208.7009       37.54847 219.3000       53.88990 198.7000       52.34683 62.65186 9.049456 59.38992 9.310528 3.261948       12.98378 
1 1 1 -2  24 42 o 41.71933 11.43713 107.2000       48.09005 0.000000       0.000000 107.2000       48.09005 ?        ?        41.71933 11.43713 ?              ?        
1 1 1 -2  24 43 o 18.52165 8.309559 -6.504057      31.24743 26.05000       45.76250 -34.94000      42.77018 26.21034 10.87244 18.67869 8.836332 7.531649       14.01038 
1 1 1 -2  24 44 o 46.58416 7.933267 120.3620       34.87881 101.0000       49.53546 139.4000       49.11934 39.81090 11.84076 47.99663 10.72564 -8.185726      15.97633 
1 1 1 -2  24 45 o 26.04182 9.488606 36.49876       31.37180 -29.19000      44.41516 101.9000       44.31785 19.40124 9.124882 40.39464 10.94062 -20.99340      14.24642 
1 1 1 -2  24 46 o 35.33978 9.273605 74.24548       32.47549 24.94000       45.89267 123.7000       45.96198 25.61579 10.77534 44.72838 10.65145 -19.11260      15.15129 
1 1 1 -2  24 47 o 55.98429 6.846559 170.0633       36.73863 140.6000       51.45638 200.7000       52.47102 46.98428 11.32283 58.42428 9.501467 -11.44000      14.78122 
1 1 1 -2  24 48 o 44.37836 7.934877 111.3088       33.20282 79.69000       47.04095 142.7000       46.87127 34.87040 11.69403 48.35729 10.22259 -13.48689      15.53228 
1 1 1 -2  24 49 f 29.69376 9.616551 52.97011       31.90920 50.04000       45.16592 55.89000       45.08703 29.23499 11.23086 30.27172 11.31336 -1.036728      15.94128 
1 1 1 -2  24 50 o 58.90550 9.765729 207.5000       54.33648 207.5000       54.33648 0.000000       0.000000 58.90550 9.765729 ?        ?        ?              ?        
1 1 1 -2  24 51 o 26.70129 10.73903 36.77000       42.98134 0.000000       0.000000 36.77000       42.98134 ?        ?        26.70129 10.73903 ?              ?        
1 1 1 -2  24 52 o 24.55778 10.48418 21.47000       44.53842 21.47000       44.53842 0.000000       0.000000 24.55778 10.48418 ?        ?        ?              ?        
1 1 1 -2  24 53 f 30.91923 9.393856 58.81657       30.93478 50.46000       42.79681 67.96000       44.76639 28.76918 10.96191 32.04268 11.37703 -3.273500      15.79874 
1 1 1 -2  24 54 f 27.79310 9.330688 47.17633       29.94781 28.73000       40.07734 70.50000       45.06530 24.65501 10.19615 32.19334 11.41649 -7.538332      15.30679 
1 1 1 -2  24 55 o 38.11836 8.565116 87.49280       31.17634 69.20000       41.57314 111.0000       47.12737 31.92959 10.98945 39.99404 11.45364 -8.064455      15.87306 
1 1 1 -2  25 1  o 67.35072 3.843927 223.1911       25.23576 186.4000       54.28336 233.3347       28.50310 60.63647 9.454136 68.82925 4.251456 -8.192772      10.36608 
1 1 1 -2  25 2  o 232.4805 4.771296 2653.762       108.5748 2852.000       228.0584 2595.662       123.4647 239.5871 9.745044 229.8009 5.488892 9.786179       11.18454 
1 1 1 -2  25 3  o 252.7907 7.267294 3153.802       179.6342 3193.000       256.3742 3116.000       251.7705 253.2727 10.36330 250.2202 10.30163 3.052490       14.61238 
1 1 1 -2  25 4  o 176.2965 3.947521 1524.556       68.11996 1558.000       139.8403 1514.150       78.00014 177.4064 8.074150 175.5716 4.542552 1.834793       9.264269 
1 1 1 -2  25 5  o 155.5719 3.691465 1186.868       56.21292 1259.000       118.5623 1165.952       63.84499 159.5376 7.614345 154.0886 4.237039 5.449005       8.713824 
1 1 1 -2  25 6  o 183.1021 4.684474 1647.235       83.88873 1604.000       145.0578 1668.961       102.8281 179.9441 8.257649 184.1327 5.712158 -4.188644      10.04079 
1 1 1 -2  25 7  o 286.4077 6.544879 4040.728       183.4816 4185.000       326.4807 3974.125       221.8269 289.2899 11.55294 283.4753 8.002536 5.814545       14.05386 
1 1 1 -2  25 8  o 151.4868 5.202343 1129.212       77.02557 1099.000       110.2699 1158.000       107.6389 148.9905 7.586199 153.0318 7.206147 -4.041290      10.46322 
1 1 1 -2  25 9  o 121.0866 4.734118 721.2998       56.00201 683.5000       82.92113 753.0000       75.93658 117.4543 7.247878 123.4802 6.303576 -6.025902      9.605561 
1 1 1 -2  25 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  25 11 o 204.0419 4.324782 2044.317       86.37534 2148.000       181.3958 2013.914       98.22603 207.8518 8.936822 202.4143 4.957689 5.437561       10.21986 
1 1 1 -2  25 12 o 101.3783 4.139300 505.4267       40.98866 0.000000       0.000000 505.4267       40.98866 ?        ?        101.3783 4.139300 ?              ?        
1 1 1 -2  25 13 o 142.4814 3.453645 995.8721       48.16615 1275.000       115.3431 936.9166       53.00932 160.3929 7.366503 138.0975 3.925556 22.29546       8.347177 
1 1 1 -2  25 14 o 142.0193 3.432628 989.5437       47.71779 1065.000       105.5925 970.1796       53.49133 146.5056 7.387137 140.5204 3.892750 5.985229       8.350048 
1 1 1 -2  25 15 f 100.8846 3.022577 499.5716       29.81387 655.6000       76.22197 471.3882       32.39479 114.9518 6.804646 97.95807 3.383617 16.99373       7.599479 
1 1 1 -2  25 16 o 109.2132 3.374858 585.9177       36.03425 0.000000       0.000000 585.9177       36.03425 ?        ?        109.2132 3.374858 ?              ?        
1 1 1 -2  25 17 o 107.0863 5.091454 566.2985       53.21527 578.6000       76.90962 555.0000       73.70796 107.7334 7.337087 105.5452 7.177298 2.188141       10.26384 
1 1 1 -2  25 18 o 93.69751 5.213338 434.2881       47.62495 417.3000       68.04636 450.6000       66.67818 91.26969 7.688209 94.98908 7.225610 -3.719391      10.55073 
1 1 1 -2  25 19 o 107.9665 5.072311 576.3284       53.45461 617.1000       77.53809 539.4000       73.79332 111.1806 7.163035 103.8749 7.304287 7.305702       10.23043 
1 1 1 -2  25 20 o 69.81976 5.937510 243.1405       40.19328 227.2000       56.73649 259.2000       56.94787 66.69025 8.914550 71.49188 8.291527 -4.801628      12.17451 
1 1 1 -2  25 21 o 223.3498 6.745842 2485.661       147.3092 2544.000       210.8172 2430.000       205.9224 223.8985 9.642015 218.8194 9.637809 5.079071       13.63289 
1 1 1 -2  25 22 f 43.99468 8.506723 100.6046       35.30747 96.92000       49.56660 104.4000       50.30624 42.60677 11.58326 44.17785 11.51729 -1.571079      16.33462 
1 1 1 -2  25 23 o 95.62641 5.176026 454.2473       48.26793 472.1000       69.16677 437.3000       67.39022 96.77659 7.356771 93.08397 7.458689 3.692619       10.47636 
1 1 1 -2  25 24 o 131.3346 5.199136 856.6741       66.70487 774.3000       90.87666 952.9000       98.22067 123.8570 7.531532 137.5561 7.321225 -13.69917      10.50354 
1 1 1 -2  25 25 o 44.04600 11.37683 105.3000       49.39250 105.3000       49.39250 0.000000       0.000000 44.04600 11.37683 ?        ?        ?              ?        
1 1 1 -2  25 26 o 50.90014 10.59390 139.5000       51.06215 139.5000       51.06215 0.000000       0.000000 50.90014 10.59390 ?        ?        ?              ?        
1 1 1 -2  25 27 o 86.85583 5.322132 377.1638       45.02987 331.7000       61.69366 429.0000       65.87553 80.38983 7.944048 91.78089 7.395290 -11.39106      10.85349 
1 1 1 -2  25 28 o 68.57805 8.680453 245.1000       56.96517 0.000000       0.000000 245.1000       56.96517 ?        ?        68.57805 8.680453 ?              ?        
1 1 1 -2  25 29 o 96.60192 5.123988 466.6507       48.27740 455.4000       68.12605 478.0000       68.42404 94.32819 7.438615 96.74112 7.279285 -2.412933      10.40774 
1 1 1 -2  25 30 o 70.66557 5.766151 252.1776       39.53771 194.4000       54.63597 315.7000       57.28779 60.34937 9.567925 78.28929 7.570054 -17.93993      12.20045 
1 1 1 -2  25 31 o 66.34888 5.907303 223.1086       37.96373 252.8000       54.89996 195.9000       52.55446 69.59549 8.217343 60.72346 9.123757 8.872025       12.27875 
1 1 1 -2  25 32 o 98.19566 5.024299 483.4730       48.13133 526.2000       69.92426 445.0000       66.35210 101.2717 7.098935 92.93800 7.353714 8.333656       10.22115 
1 1 1 -2  25 33 o 85.50490 5.193261 367.9908       43.25982 334.6000       59.58837 405.2000       62.90339 80.21462 7.683104 88.56120 7.321819 -8.346573      10.61316 
1 1 1 -2  25 34 o 25.36408 9.398399 29.22389       30.98807 40.34000       43.75729 18.04000       43.89051 29.42486 11.11362 25.75321 10.66210 3.671654       15.40107 
1 1 1 -2  25 35 f 81.77983 5.449303 339.7663       43.37190 309.9000       59.59475 373.4000       63.24187 76.43605 8.087867 84.21182 7.759490 -7.775772      11.20818 
1 1 1 -2  25 36 o 35.71636 9.439270 71.91988       33.49231 97.61000       46.30335 43.73000       48.50381 40.75426 11.24252 30.13996 11.62282 10.61430       16.17048 
1 1 1 -2  25 37 o 63.45195 6.149889 208.9091       37.71769 226.4000       53.25121 191.3000       53.43097 64.36745 8.672400 58.36810 9.691922 5.999348       13.00553 
1 1 1 -2  25 38 o 40.01221 8.717913 89.55876       33.17615 122.0000       45.91223 54.11000       47.99325 45.71722 10.48375 31.51061 11.69247 14.20661       15.70423 
1 1 1 -2  25 39 o 50.28705 10.32644 147.1000       49.12616 147.1000       49.12616 0.000000       0.000000 50.28705 10.32644 ?        ?        ?              ?        
1 1 1 -2  25 40 o 39.87669 8.681241 89.63592       32.92159 101.7000       46.45113 77.46000       46.66594 40.86944 11.25504 35.67901 11.63502 5.190426       16.18795 
1 1 1 -2  25 41 o 26.34713 10.79265 27.61000       44.34671 0.000000       0.000000 27.61000       44.34671 ?        ?        26.34713 10.79265 ?              ?        
1 1 1 -2  25 42 o 48.31610 7.792243 128.4482       35.59858 81.09000       50.81226 174.1000       49.88844 35.85934 12.15395 54.91329 9.632545 -19.05395      15.50821 
1 1 1 -2  25 43 o 46.79975 7.858247 121.3210       34.72316 120.5000       49.76333 122.1000       48.47396 43.83758 11.46795 44.40368 11.16566 -0.5660973     16.00581 
1 1 1 -2  25 44 o 22.62366 9.141152 20.11565       31.29995 -31.49000      45.17552 67.76000       43.40704 19.37545 9.140388 33.01899 11.23293 -13.64354      14.48190 
1 1 1 -2  25 45 o 50.54329 7.254163 140.2678       34.86143 117.3000       49.93848 162.1000       48.68830 42.52604 11.65348 52.11478 9.906604 -9.588749      15.29524 
1 1 1 -2  25 46 o 26.99058 9.602936 41.39971       31.90845 65.66000       45.40598 17.73000       44.84990 32.22536 11.45638 24.35697 10.46210 7.868399       15.51464 
1 1 1 -2  25 47 o 34.16868 9.374869 70.28943       32.29589 52.07000       46.20750 87.69000       45.15719 29.69597 11.37184 36.69674 11.38703 -7.000771      16.09295 
1 1 1 -2  25 48 o 29.02718 9.552692 50.28872       31.42555 33.59000       43.83271 67.95000       45.07834 26.40354 10.76256 32.53234 11.42860 -6.128801      15.69858 
1 1 1 -2  25 49 o 39.93877 8.902595 94.16924       33.91401 98.10000       48.27847 90.34000       47.65098 38.31377 11.75402 36.78474 11.73639 1.529034       16.61024 
1 1 1 -2  25 50 o 21.50786 9.660790 -0.3298000     42.37531 0.000000       0.000000 -0.3298000     42.37531 ?        ?        21.50786 9.660790 ?              ?        
1 1 1 -2  25 51 o 28.45849 9.606289 48.73469       31.74152 74.07000       45.24933 24.19000       44.53770 33.44051 11.46661 24.88976 10.54970 8.550751       15.58137 
1 1 1 -2  25 52 o 29.24774 9.537801 52.43894       31.35898 43.77000       43.92534 61.45000       44.78371 27.65026 10.94356 30.79366 11.31808 -3.143406      15.74358 
1 1 1 -2  25 53 o 23.47488 10.13485 18.38000       42.50329 18.38000       42.50329 0.000000       0.000000 23.47488 10.13485 ?        ?        ?              ?        
1 1 1 -2  25 54 o 22.74913 8.974311 25.89233       29.45124 -5.333000      38.98568 67.40000       44.94856 19.80599 9.042536 31.33250 11.36631 -11.52651      14.52447 
1 1 1 -2  26 1  o 195.0184 4.213331 1866.924       80.42801 2065.000       172.0162 1811.507       90.98592 203.9546 8.636020 191.9491 4.846512 12.00548       9.903006 
1 1 1 -2  26 2  o 105.5602 3.413421 546.9976       35.22287 641.2000       77.29351 522.3078       39.57038 113.7843 6.973411 103.0967 3.928391 10.68766       8.003794 
1 1 1 -2  26 3  o 82.97705 3.594279 338.3451       29.12358 284.8000       60.87597 354.2376       33.16518 75.38261 8.392406 84.86640 4.003746 -9.483788      9.298520 
1 1 1 -2  26 4  o 243.1373 4.949691 2905.483       117.7975 3226.000       253.2801 2817.017       133.0647 254.2677 10.19731 239.2466 5.682126 15.02103       11.67354 
1 1 1 -2  26 5  o 345.0769 6.693176 5873.724       226.0760 5723.000       443.9807 5926.485       262.6814 336.3597 13.51259 346.1618 7.752540 -9.802094      15.57858 
1 1 1 -2  26 6  o 222.4525 4.614484 2431.136       100.4770 2436.000       203.0371 2429.559       115.6281 221.1613 9.400516 222.2419 5.315342 -1.080627      10.79919 
1 1 1 -2  26 7  o 140.1313 5.078820 966.8738       69.54811 921.4000       98.54507 1012.000       98.16778 136.3254 7.412916 142.9779 7.036065 -6.652512      10.22045 
1 1 1 -2  26 8  o 116.8453 4.848337 672.3145       55.33064 742.9000       84.25896 618.8000       73.36579 122.4276 7.061177 111.7649 6.737572 10.66267       9.759871 
1 1 1 -2  26 9  f 142.0866 4.146442 992.2454       57.60633 1036.000       104.5295 973.1602       69.03603 144.5273 7.413728 140.5730 5.025359 3.954269       8.956428 
1 1 1 -2  26 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  26 11 o 91.87114 4.383782 415.7292       39.30786 0.000000       0.000000 415.7292       39.30786 ?        ?        91.87114 4.383782 ?              ?        
1 1 1 -2  26 12 o 92.24893 3.562337 418.3151       32.10595 0.000000       0.000000 418.3151       32.10595 ?        ?        92.24893 3.562337 ?              ?        
1 1 1 -2  26 13 o 145.4721 4.012155 1040.580       57.07537 965.4000       102.9343 1073.955       68.58415 139.2715 7.579343 147.6500 4.751710 -8.378555      8.945680 
1 1 1 -2  26 14 o 61.49696 3.529334 186.2986       21.15558 0.000000       0.000000 186.2986       21.15558 ?        ?        61.49696 3.529334 ?              ?        
1 1 1 -2  26 15 o 26.81417 4.905779 36.51700       12.40159 97.48000       47.79362 32.11598       12.84143 43.08871 11.22233 25.04230 5.397999 18.04640       12.45308 
1 1 1 -2  26 16 o 98.46580 3.004373 476.2454       28.92259 482.1000       69.88109 475.0352       31.77154 98.19798 7.323001 98.30271 3.306627 -0.1047287     8.034931 
1 1 1 -2  26 17 o 61.83565 3.966766 188.8631       23.88279 258.5000       56.66074 173.8179       26.33668 71.43872 8.254599 59.21799 4.579162 12.22073       9.439657 
1 1 1 -2  26 18 o 149.8294 5.351869 1111.316       78.36289 1146.000       112.8344 1079.000       108.9133 151.2656 7.645494 146.7836 7.606439 4.482071       10.78478 
1 1 1 -2  26 19 o 81.44772 5.384881 329.7002       42.68915 334.3000       61.05232 325.3000       59.71310 81.35868 7.760314 80.26780 7.694246 1.090881       10.92812 
1 1 1 -2  26 20 o 76.75200 5.622097 293.6414       41.94410 291.2000       59.83621 296.0000       58.81287 75.66431 8.210626 76.36848 7.985684 -0.7041702     11.45363 
1 1 1 -2  26 21 o 100.6254 5.160562 502.8595       50.65916 578.4000       74.04976 436.4000       69.45640 107.2656 7.092528 92.88088 7.709153 14.38477       10.47545 
1 1 1 -2  26 22 o 66.90468 6.126864 224.8650       39.67872 228.1000       56.42374 221.7000       55.80965 66.47094 8.895172 65.50164 8.937528 0.9692993      12.60966 
1 1 1 -2  26 23 o 86.35879 5.395301 372.0980       45.37883 381.1000       63.83271 362.9000       64.52357 86.59962 7.607692 84.36829 7.905346 2.231331       10.97139 
1 1 1 -2  26 24 o 95.02174 7.356104 458.5000       67.88662 458.5000       67.88662 0.000000       0.000000 95.02174 7.356104 ?        ?        ?              ?        
1 1 1 -2  26 25 o 81.36681 5.457947 331.4550       43.21789 406.1000       61.95369 260.7000       60.31779 89.41887 7.137551 70.77921 8.902795 18.63966       11.41071 
1 1 1 -2  26 26 o 66.36909 5.905274 222.2062       37.96280 180.3000       51.80745 270.8000       55.78832 58.40031 9.380530 72.47146 7.997323 -14.07115      12.32686 
1 1 1 -2  26 27 o 67.70078 8.696099 239.6000       56.29755 0.000000       0.000000 239.6000       56.29755 ?        ?        67.70078 8.696099 ?              ?        
1 1 1 -2  26 28 o 84.76720 5.336590 360.5841       44.05430 335.8000       60.68401 388.2000       64.05713 80.67875 7.780790 86.88526 7.608797 -6.206512      10.88276 
1 1 1 -2  26 29 o 124.6345 5.132712 777.3559       62.48287 761.0000       86.97508 794.8000       89.82192 121.9392 7.320649 124.5670 7.400049 -2.627823      10.40926 
1 1 1 -2  26 30 o 67.71297 5.789322 232.2844       38.00346 217.3000       53.54040 247.5000       53.95200 64.11131 8.760736 68.79784 8.171152 -4.686539      11.97991 
1 1 1 -2  26 31 o 67.93756 5.713023 234.0122       37.63948 242.4000       53.51396 225.8000       52.95103 67.94070 8.213457 65.40810 8.469226 2.532600       11.79782 
1 1 1 -2  26 32 o 105.8052 5.006669 562.3658       51.70451 572.5000       72.88654 552.1000       73.35817 105.3995 7.106385 103.3561 7.298066 2.043404       10.18639 
1 1 1 -2  26 33 o 78.29057 5.364010 310.5442       40.85765 339.5000       57.49300 281.0000       58.07426 80.69915 7.359359 72.76519 8.302046 7.933960       11.09433 
1 1 1 -2  26 34 o 83.39095 5.397357 353.4212       43.81947 310.4000       59.85790 403.1000       64.32291 76.36612 8.132798 87.55457 7.580115 -11.18845      11.11758 
1 1 1 -2  26 35 o 51.62262 7.344639 141.7637       36.06637 104.1000       48.08601 190.2000       54.53086 41.88418 11.41813 58.17122 9.933317 -16.28703      15.13422 
1 1 1 -2  26 36 o 47.57123 7.667625 122.0896       34.49004 60.57000       46.36613 198.3000       51.60613 32.71830 11.58226 59.83648 9.097199 -27.11818      14.72779 
1 1 1 -2  26 37 o 35.61785 11.13759 75.46000       43.11071 75.46000       43.11071 0.000000       0.000000 35.61785 11.13759 ?        ?        ?              ?        
1 1 1 -2  26 38 o 36.11518 9.233589 74.77541       32.76381 67.85000       43.58882 83.77000       49.67562 33.83341 11.25499 36.92070 12.00187 -3.087292      16.45356 
1 1 1 -2  26 39 o 67.71143 6.075683 239.2449       39.84067 178.7000       55.62945 303.0000       57.08519 55.01676 10.71552 74.70479 7.927598 -19.68803      13.32926 
1 1 1 -2  26 40 o 20.64261 9.414608 -12.87000      42.11722 0.000000       0.000000 -12.87000      42.11722 ?        ?        20.64261 9.414608 ?              ?        
1 1 1 -2  26 41 o 59.16434 6.540940 185.9419       37.24793 162.6000       52.83835 209.0000       52.51619 52.02477 10.73241 60.65443 9.128224 -8.629665      14.08932 
1 1 1 -2  26 42 o 61.64696 6.294893 201.1100       37.45193 229.8000       53.78237 174.1000       52.18385 63.73435 8.860316 54.20147 10.21048 9.532875       13.51884 
1 1 1 -2  26 43 o 33.89164 9.504422 68.56464       32.79803 80.30000       46.91876 57.35000       45.86600 35.36778 11.67385 30.94396 11.43991 4.423820       16.34474 
1 1 1 -2  26 44 o 46.50357 7.972499 121.7532       34.98456 64.52000       48.91252 181.7000       50.05866 32.07572 11.82162 55.53798 9.552759 -23.46226      15.19887 
1 1 1 -2  26 45 o 46.82911 7.922833 123.6684       35.02255 79.45000       49.06536 169.6000       50.00678 34.68078 11.93861 53.06349 9.994367 -18.38271      15.56977 
1 1 1 -2  26 46 o 32.81972 9.548905 65.28017       32.51577 49.41000       45.76370 81.46000       46.20800 29.19841 11.28175 35.25623 11.58262 -6.057817      16.16895 
1 1 1 -2  26 47 o 29.78481 11.19229 53.57000       44.25317 53.57000       44.25317 0.000000       0.000000 29.78481 11.19229 ?        ?        ?              ?        
1 1 1 -2  26 48 o 30.05468 9.619478 54.75260       31.99199 91.97000       46.19112 20.44000       44.35191 37.25950 11.50909 24.47628 10.45615 12.78321       15.54961 
1 1 1 -2  26 49 o 18.60594 8.756385 -25.90000      41.01516 0.000000       0.000000 -25.90000      41.01516 ?        ?        18.60594 8.756385 ?              ?        
1 1 1 -2  26 50 o 16.30704 7.607862 -18.26382      29.84020 27.62000       42.69287 -62.09000      41.72462 25.11471 10.46658 16.04488 7.861008 9.069826       13.08987 
1 1 1 -2  26 51 o 24.85055 9.290605 33.97692       30.41122 48.57000       42.84521 19.16000       43.17258 28.41485 10.93265 23.85754 10.25634 4.557310       14.99051 
1 1 1 -2  26 52 o 27.46313 9.386478 45.81101       30.31552 36.30000       41.41473 56.79000       44.49617 26.02079 10.51452 29.67327 11.20714 -3.652473      15.36734 
1 1 1 -2  26 53 o 29.17194 9.399539 53.57808       30.50975 90.57000       41.44843 9.832000       45.07380 36.54853 10.82136 22.56701 10.06241 13.98153       14.77681 
1 1 1 -2  27 1  o 135.4428 3.543860 900.7407       46.94241 936.1000       96.81654 889.8734       53.67349 137.3830 7.225030 134.5515 4.080065 2.831482       8.297469 
1 1 1 -2  27 2  o 185.2873 4.094442 1686.041       74.25858 1811.000       155.9291 1649.387       84.45007 190.8127 8.368958 183.0993 4.715945 7.713394       9.606227 
1 1 1 -2  27 3  o 85.44068 3.572694 358.8503       29.81312 448.9000       66.62402 336.3039       33.33710 94.99121 7.219481 82.64533 4.134132 12.34588       8.319372 
1 1 1 -2  27 4  o 248.0746 5.841804 3033.719       141.8520 2786.000       234.8246 3176.052       177.9989 235.7957 10.19834 253.2616 7.187554 -17.46596      12.47666 
1 1 1 -2  27 5  o 155.0432 3.687646 1179.938       55.96394 1340.000       122.0206 1137.299       62.97845 164.2719 7.609307 152.0868 4.234647 12.18510       8.708261 
1 1 1 -2  27 6  o 64.72191 4.333257 206.7760       27.29371 203.0000       54.32091 208.0513       31.56786 63.23237 9.032899 64.82893 5.013671 -1.596554      10.33103 
1 1 1 -2  27 7  o 91.85310 3.359830 414.5377       30.15678 387.4000       65.02287 421.9746       34.03905 88.06921 7.617678 92.62887 3.762092 -4.559654      8.496019 
1 1 1 -2  27 8  o 108.0736 3.939677 574.5068       41.60631 605.7000       77.37482 561.8186       49.34798 110.3385 7.203563 106.7529 4.734404 3.585670       8.620087 
1 1 1 -2  27 9  o 98.24179 4.750630 476.1105       45.54750 0.000000       0.000000 476.1105       45.54750 ?        ?        98.24179 4.750630 ?              ?        
1 1 1 -2  27 10 o 36.50042 5.639372 67.24642       19.49945 0.000000       0.000000 67.24642       19.49945 ?        ?        36.50042 5.639372 ?              ?        
1 1 1 -2  27 11 o 131.4261 4.698498 851.5368       60.34590 0.000000       0.000000 851.5368       60.34590 ?        ?        131.4261 4.698498 ?              ?        
1 1 1 -2  27 12 o 184.6754 4.727490 1680.995       85.38641 1941.000       163.0593 1582.762       100.2268 196.9427 8.478482 178.8976 5.731046 18.04510       10.23375 
1 1 1 -2  27 13 o 78.90590 3.155544 306.1364       24.32278 308.6000       60.18317 305.6554       26.59115 78.26431 7.967016 78.80741 3.455580 -0.5430984     8.684145 
1 1 1 -2  27 14 o 53.57429 3.707459 141.7761       19.32200 0.000000       0.000000 141.7761       19.32200 ?        ?        53.57429 3.707459 ?              ?        
1 1 1 -2  27 15 o 85.80307 3.350204 362.2901       28.08309 352.7000       62.55935 364.7103       31.42760 83.67974 7.724907 86.03193 3.740974 -2.352188      8.583069 
1 1 1 -2  27 16 o 49.89112 3.273233 122.8381       15.89649 97.63000       49.84998 125.6916       16.77211 42.84198 11.60336 50.45129 3.416476 -7.609303      12.09588 
1 1 1 -2  27 17 o 62.99600 2.920048 195.3134       17.95668 258.2000       54.48760 187.6513       19.01917 71.31728 7.939897 61.71558 3.158913 9.601700       8.545215 
1 1 1 -2  27 18 o 115.0793 5.068319 656.6845       56.95092 676.0000       81.78345 638.5000       79.35307 115.9874 7.239679 112.7163 7.230483 3.271118       10.23195 
1 1 1 -2  27 19 o 165.9781 5.618099 1369.788       91.14232 1401.000       130.4262 1340.000       127.4159 166.5115 8.025924 162.8433 8.018352 3.668198       11.34502 
1 1 1 -2  27 20 o 126.8908 5.204546 800.0684       64.50546 769.1000       89.85458 833.0000       92.65907 123.4249 7.472580 128.5049 7.397780 -5.079994      10.51507 
1 1 1 -2  27 21 o 105.6411 5.158913 555.4186       53.18413 497.1000       72.34521 624.0000       78.45294 98.99859 7.522074 111.1073 7.253393 -12.10874      10.44956 
1 1 1 -2  27 22 o 113.5945 5.116956 642.6482       56.74908 578.1000       76.86256 720.0000       84.14104 106.7164 7.404216 119.2349 7.243559 -12.51850      10.35816 
1 1 1 -2  27 23 o 72.93014 8.091904 273.9000       56.79385 273.9000       56.79385 0.000000       0.000000 72.93014 8.091904 ?        ?        ?              ?        
1 1 1 -2  27 24 o 122.0478 5.076489 742.8066       60.51324 693.1000       82.66360 800.2000       88.82554 116.7527 7.269443 125.4820 7.262898 -8.729301      10.27592 
1 1 1 -2  27 25 o 92.51931 7.518560 438.3000       67.50207 0.000000       0.000000 438.3000       67.50207 ?        ?        92.51931 7.518560 ?              ?        
1 1 1 -2  27 26 o 58.35879 9.560007 181.7000       52.72065 0.000000       0.000000 181.7000       52.72065 ?        ?        58.35879 9.560007 ?              ?        
1 1 1 -2  27 27 f 26.48603 9.587254 32.30221       31.95626 -17.67000      43.54958 90.60000       47.03766 21.39170 9.684036 40.33549 11.40703 -18.94379      14.96332 
1 1 1 -2  27 28 o 25.50226 9.506539 28.16636       31.79515 45.87000       45.07224 10.63000       44.85878 30.99324 11.36060 25.18692 10.62733 5.806316       15.55646 
1 1 1 -2  27 29 o 37.66938 8.951296 77.05754       32.51528 81.06000       45.94036 73.04000       46.02686 38.06147 11.42267 36.35196 11.52731 1.709511       16.22826 
1 1 1 -2  27 30 o 30.33495 9.554258 49.13608       31.66787 52.28000       45.18105 46.10000       44.39945 32.00989 11.42282 30.75441 11.27510 1.255478       16.05019 
1 1 1 -2  27 31 o 60.41400 6.204185 187.4003       36.16760 170.1000       50.51286 205.6000       51.80920 55.78839 9.596175 61.92969 8.793691 -6.141300      13.01597 
1 1 1 -2  27 32 o 30.58122 9.484161 51.12716       31.33080 11.40000       42.44028 98.71000       46.44722 24.35540 10.30963 41.31371 11.20495 -16.95830      15.22627 
1 1 1 -2  27 33 o 29.32135 9.621063 46.62250       31.88629 24.89000       43.14478 72.78000       47.33381 26.37382 10.70472 35.51150 11.72555 -9.137682      15.87701 
1 1 1 -2  27 34 o 44.88489 8.074721 109.8172       34.17169 93.25000       46.93801 128.5000       49.84502 39.49605 11.46739 46.70433 11.07279 -7.208282      15.94075 
1 1 1 -2  27 35 o 50.22656 7.115283 134.3858       34.00285 125.5000       46.93631 144.2000       49.32731 46.35384 10.57873 49.88924 10.43712 -3.535400      14.86079 
1 1 1 -2  27 36 o 25.65864 10.51050 24.09000       42.05759 24.09000       42.05759 0.000000       0.000000 25.65864 10.51050 ?        ?        ?              ?        
1 1 1 -2  27 37 o 62.22730 6.166718 202.4694       37.06783 161.3000       49.61076 254.5000       55.77219 52.89326 9.947315 67.92158 8.579967 -15.02832      13.13640 
1 1 1 -2  27 38 f 46.99949 10.65053 131.6000       47.85983 0.000000       0.000000 131.6000       47.85983 ?        ?        46.99949 10.65053 ?              ?        
1 1 1 -2  27 39 f 66.33157 6.152072 230.9158       39.48850 240.1000       57.65389 222.8000       54.19666 64.97270 9.333025 62.78660 9.082124 2.186104       13.02269 
1 1 1 -2  27 40 o 37.01264 9.319497 80.15090       33.73737 20.61000       47.69020 139.8000       47.73351 25.62062 10.89035 48.34637 10.39594 -22.72575      15.05574 
1 1 1 -2  27 41 o 46.52423 7.900895 120.3645       34.69448 94.24000       48.82951 147.0000       49.30476 38.31164 11.83307 49.36089 10.52618 -11.04924      15.83737 
1 1 1 -2  27 42 o 41.41078 8.588564 98.64629       33.66997 89.67000       47.64654 107.6000       47.58657 37.15566 11.72159 40.96857 11.43365 -3.812912      16.37449 
1 1 1 -2  27 43 o 38.39561 8.977592 86.79394       33.13353 95.87000       47.24588 78.01000       46.47931 38.28472 11.60456 34.65744 11.62402 3.627281       16.42509 
1 1 1 -2  27 44 o 28.37679 9.660311 47.53824       32.10454 -8.974000      45.25386 104.8000       45.55297 21.26314 9.720943 40.32058 11.16196 -19.05744      14.80155 
1 1 1 -2  27 45 o 24.01134 9.323839 28.24047       31.37478 8.209000       43.74016 49.47000       45.02920 22.87616 10.07009 29.13081 11.20790 -6.254644      15.06731 
1 1 1 -2  27 46 o 22.78950 9.942291 10.73000       41.79088 10.73000       41.79088 0.000000       0.000000 22.78950 9.942291 ?        ?        ?              ?        
1 1 1 -2  27 47 o 31.56958 9.567982 60.88522       32.11923 28.04000       45.44091 93.68000       45.40601 25.63963 10.74977 37.67526 11.36709 -12.03563      15.64507 
1 1 1 -2  27 48 o 37.76926 11.55832 95.34000       46.72087 0.000000       0.000000 95.34000       46.72087 ?        ?        37.76926 11.55832 ?              ?        
1 1 1 -2  27 49 o 33.78187 9.373427 69.97466       32.08343 56.95000       45.00006 83.44000       45.75499 30.07803 11.28976 35.19799 11.52360 -5.119961      16.13233 
1 1 1 -2  27 50 o 35.36893 9.139971 76.23336       31.86891 74.91000       44.63120 77.61000       45.52087 33.39717 11.38969 33.86935 11.50346 -0.4721794     16.18810 
1 1 1 -2  27 51 o 23.60531 9.076573 29.32235       29.51943 40.71000       40.44447 16.34000       43.18358 26.67884 10.51912 23.29680 10.13591 3.382044       14.60782 
1 1 1 -2  27 52 o 21.75998 8.860729 20.94511       29.67397 41.82000       40.14849 -4.188000      44.05348 26.58266 10.48075 20.87262 9.560730 5.710045       14.18639 
1 1 1 -2  28 1  o 203.6422 4.360286 2039.740       86.91383 1968.000       171.6198 2064.487       100.7954 198.3062 8.863881 204.7055 5.030429 -6.399231      10.19184 
1 1 1 -2  28 2  o 161.2049 3.792754 1276.678       59.84656 1300.000       122.6712 1269.394       68.55895 161.5135 7.782294 160.5872 4.365661 0.9262238      8.923178 
1 1 1 -2  28 3  o 141.2611 3.563524 980.5406       49.23360 930.2000       98.81900 997.1622       56.78283 136.6713 7.414577 142.3659 4.078992 -5.694595      8.462513 
1 1 1 -2  28 4  o 218.6530 5.284522 2357.576       113.1012 2349.000       196.8289 2361.803       138.1942 216.3612 9.315841 218.3461 6.473183 -1.984909      11.34403 
1 1 1 -2  28 5  f 79.66762 3.973632 312.7489       30.88892 292.3000       58.14580 320.7886       36.45888 76.23843 7.906461 80.58917 4.641534 -4.350746      9.168204 
1 1 1 -2  28 6  o 61.80799 3.832534 188.4552       23.07253 177.9000       52.61174 190.9686       25.67294 58.87081 9.449767 62.16520 4.244585 -3.294395      10.35928 
1 1 1 -2  28 7  o 103.2821 3.926189 525.1605       39.61967 608.8000       75.80666 493.7282       46.47180 110.5204 7.044090 99.99860 4.761446 10.52180       8.502386 
1 1 1 -2  28 8  o 128.7401 3.865855 815.5601       48.66013 0.000000       0.000000 815.5601       48.66013 ?        ?        128.7401 3.865855 ?              ?        
1 1 1 -2  28 9  o 101.4162 5.000572 508.5708       49.48709 589.9000       77.79814 453.3000       64.13485 108.6203 7.360795 95.27752 6.924232 13.34283       10.10575 
1 1 1 -2  28 10 o 33.76293 6.156358 58.19440       19.59618 0.000000       0.000000 58.19440       19.59618 ?        ?        33.76293 6.156358 ?              ?        
1 1 1 -2  28 11 o 68.25500 3.420822 229.5029       22.78162 329.3000       60.16194 212.7974       24.61465 80.85464 7.694339 65.65933 3.846781 15.19531       8.602360 
1 1 1 -2  28 12 o 16.97794 6.740390 7.765980       16.71192 24.10000       48.87665 5.603572       17.78376 28.78695 11.49473 16.83285 6.857594 11.95410       13.38490 
1 1 1 -2  28 13 o 92.38211 3.144936 419.7863       28.39699 475.8000       70.34216 408.8802       31.03861 97.28329 7.443585 91.12041 3.486441 6.162888       8.219625 
1 1 1 -2  28 14 o 88.37975 3.117053 384.2887       26.92295 474.6000       68.66693 367.8835       29.26627 97.16302 7.272823 86.41634 3.466951 10.74669       8.056905 
1 1 1 -2  28 15 o 73.44772 3.316600 265.8284       23.78240 0.000000       0.000000 265.8284       23.78240 ?        ?        73.44772 3.316600 ?              ?        
1 1 1 -2  28 16 o 51.96897 3.539823 133.5593       17.89912 0.000000       0.000000 133.5593       17.89912 ?        ?        51.96897 3.539823 ?              ?        
1 1 1 -2  28 17 o 13.84671 5.030552 7.823582       8.808982 74.16000       44.22591 5.083076       8.989100 37.43725 11.20107 12.81989 4.987176 24.61736       12.26115 
1 1 1 -2  28 18 f 86.83476 5.192752 375.5923       43.93484 390.6000       61.94425 360.4000       62.32398 87.83650 7.269814 84.20197 7.645078 3.634537       10.54976 
1 1 1 -2  28 19 o 58.22892 6.539460 171.9505       36.62894 152.9000       50.44320 193.2000       53.27500 53.65990 9.970815 60.77690 9.246374 -7.116997      13.59826 
1 1 1 -2  28 20 o 70.40595 5.785955 249.1426       39.52256 264.9000       54.45279 231.6000       57.45462 71.83662 7.872861 66.62605 9.043208 5.210564       11.99006 
1 1 1 -2  28 21 f 75.18584 7.761168 290.0000       56.29759 290.0000       56.29759 0.000000       0.000000 75.18584 7.761168 ?        ?        ?              ?        
1 1 1 -2  28 22 o 88.68642 7.404526 401.7000       63.69171 401.7000       63.69171 0.000000       0.000000 88.68642 7.404526 ?        ?        ?              ?        
1 1 1 -2  28 23 o 68.07703 5.771321 233.7870       38.09551 257.9000       53.61490 209.2000       54.13930 70.64910 7.887452 63.03275 9.032687 7.616356       11.99172 
1 1 1 -2  28 24 o 65.02693 8.911146 222.6000       55.22924 0.000000       0.000000 222.6000       55.22924 ?        ?        65.02693 8.911146 ?              ?        
1 1 1 -2  28 25 o 74.05225 5.777797 277.0439       41.54874 304.6000       60.46971 252.4000       57.18534 76.50025 8.203465 69.36232 8.607359 7.137932       11.89048 
1 1 1 -2  28 26 o 62.50303 6.273993 199.1661       37.86556 239.2000       53.91557 160.2000       53.19175 67.58592 8.325659 54.12969 10.41735 13.45623       13.33558 
1 1 1 -2  28 27 f 73.02080 5.751602 270.0646       40.77778 306.5000       58.10339 234.7000       57.24321 76.74902 7.844538 66.42757 9.037980 10.32145       11.96753 
1 1 1 -2  28 28 o 88.29111 5.232981 392.4843       45.02150 406.8000       63.93104 378.4000       63.41216 88.65617 7.435539 85.33729 7.673349 3.318886       10.68492 
1 1 1 -2  28 29 o 83.71548 5.274230 353.7603       42.99898 351.5000       60.29082 356.1000       61.34229 82.13874 7.584502 82.62037 7.672873 -0.4816284     10.78877 
1 1 1 -2  28 30 o 68.15932 5.773238 237.1194       38.15490 294.0000       54.54027 182.6000       53.39628 74.90826 7.540941 57.55593 9.830686 17.35233       12.38984 
1 1 1 -2  28 31 o 52.32645 6.962610 143.7791       34.77728 127.8000       47.34743 162.5000       51.24893 47.34965 10.49199 53.82059 10.09899 -6.470940      14.56267 
1 1 1 -2  28 32 o 59.64471 6.475244 185.4140       37.19783 156.6000       49.24462 223.7000       56.76457 52.69794 9.910499 63.58342 9.403946 -10.88548      13.66207 
1 1 1 -2  28 33 o 26.92429 9.485440 37.86028       31.06833 54.07000       42.15661 18.59000       45.96445 31.22461 11.04487 25.65218 10.78680 5.572430       15.43840 
1 1 1 -2  28 34 o 38.68190 8.604209 83.74670       31.73670 54.84000       42.73335 119.3000       47.39228 31.29128 11.11514 44.83324 10.90545 -13.54196      15.57161 
1 1 1 -2  28 35 o 26.65296 10.61715 31.10000       41.59939 31.10000       41.59939 0.000000       0.000000 26.65296 10.61715 ?        ?        ?              ?        
1 1 1 -2  28 36 o 48.61368 7.416999 128.0289       34.17750 90.00000       45.97633 175.0000       51.09672 38.27115 11.41346 55.13978 9.827632 -16.86863      15.06152 
1 1 1 -2  28 37 o 25.91628 10.76380 24.31000       44.93097 0.000000       0.000000 24.31000       44.93097 ?        ?        25.91628 10.76380 ?              ?        
1 1 1 -2  28 38 o 34.96803 9.279891 71.41846       32.28571 58.35000       45.32435 84.88000       46.00093 31.49497 11.41535 36.82584 11.50331 -5.330877      16.20606 
1 1 1 -2  28 39 o 41.24295 8.880733 97.89693       34.79018 159.9000       50.71422 42.78000       47.81517 51.72061 10.37871 28.79644 11.41128 22.92416       15.42514 
1 1 1 -2  28 40 o 32.74048 9.625686 63.79297       32.89111 77.01000       47.58368 51.70000       45.51532 34.81497 11.76171 30.03324 11.33661 4.781731       16.33574 
1 1 1 -2  28 41 o 72.08579 5.848585 273.4597       40.91318 330.1000       60.21897 224.9000       55.75812 76.84713 8.128778 61.99582 9.489881 14.85131       12.49539 
1 1 1 -2  28 42 o 25.35520 9.497706 34.15269       31.81388 77.35000       45.37305 -7.622000      44.61966 34.53512 11.48287 21.31237 9.708565 13.22275       15.03704 
1 1 1 -2  28 43 o 38.64035 8.986903 88.43373       33.34649 126.6000       47.63977 51.77000       46.69261 44.60804 10.98466 29.57088 11.40365 15.03716       15.83370 
1 1 1 -2  28 44 o 22.80492 9.126004 22.72235       30.87642 31.74000       42.97436 13.10000       44.39184 25.98369 10.63182 23.55383 10.26184 2.429852       14.77637 
1 1 1 -2  28 45 o 33.29630 11.37913 72.35000       44.55287 72.35000       44.55287 0.000000       0.000000 33.29630 11.37913 ?        ?        ?              ?        
1 1 1 -2  28 46 o 24.23327 9.313831 30.07137       31.07312 14.49000       44.68535 44.66000       43.23840 23.67347 10.30509 28.00348 10.92531 -4.330011      15.01856 
1 1 1 -2  28 47 o 32.88198 11.56355 71.42000       46.15766 0.000000       0.000000 71.42000       46.15766 ?        ?        32.88198 11.56355 ?              ?        
1 1 1 -2  28 48 o 19.70106 8.568817 5.794704       30.84263 0.1381000      43.50594 11.51000       43.73106 21.62440 9.744470 23.00094 10.09892 -1.376543      14.03363 
1 1 1 -2  28 49 o 28.81495 9.565138 50.88672       31.48629 80.34000       44.60307 21.63000       44.45399 34.47895 11.38220 24.33293 10.43316 10.14602       15.44038 
1 1 1 -2  28 50 o 27.73795 9.468322 47.13984       30.84455 21.66000       42.25586 76.20000       45.12712 23.85386 10.19858 33.27551 11.44967 -9.421646      15.33317 
1 1 1 -2  28 51 o 26.87146 9.396453 44.39945       30.44989 31.11000       41.30437 60.22000       45.06646 24.88883 10.32721 29.88580 11.28066 -4.996965      15.29394 
1 1 1 -2  29 1  f 150.4755 3.666995 1113.203       54.01102 1263.000       116.5050 1072.195       60.95725 158.9715 7.508410 147.5093 4.226176 11.46219       8.616077 
1 1 1 -2  29 2  o 108.6559 3.383218 580.6085       35.93849 529.7000       73.61011 596.5413       41.18004 102.8437 7.360966 110.0641 3.828217 -7.220375      8.296931 
1 1 1 -2  29 3  o 71.82458 4.271150 254.9362       29.89224 232.2000       54.64258 264.6461       35.70929 67.57434 8.445063 73.05136 5.024582 -5.477020      9.826775 
1 1 1 -2  29 4  o 57.64327 4.599278 164.8331       25.73535 200.3000       51.47393 153.0128       29.71600 62.62799 8.625618 55.34837 5.560279 7.279625       10.26246 
1 1 1 -2  29 5  o 132.9713 3.468886 869.6304       45.11108 856.3000       93.36195 873.6906       51.52499 130.8430 7.318930 133.1831 3.956802 -2.340118      8.320037 
1 1 1 -2  29 6  o 103.2491 3.749707 525.0950       37.83275 0.000000       0.000000 525.0950       37.83275 ?        ?        103.2491 3.749707 ?              ?        
1 1 1 -2  29 7  o 106.1809 3.735554 555.3668       38.76415 0.000000       0.000000 555.3668       38.76415 ?        ?        106.1809 3.735554 ?              ?        
1 1 1 -2  29 8  o 66.75124 3.552276 219.7547       23.12627 318.6000       56.82067 200.1299       25.31816 79.52107 7.384279 63.61066 4.087909 15.91042       8.440294 
1 1 1 -2  29 9  o 67.42379 4.450870 225.2189       29.20977 296.5000       55.15807 197.4381       34.43454 76.64423 7.446031 62.86577 5.656368 13.77846       9.350822 
1 1 1 -2  29 10 o 115.8567 3.928222 661.9358       44.48309 755.4000       82.58927 623.7424       52.79530 122.8324 6.896876 112.2458 4.816490 10.58656       8.412222 
1 1 1 -2  29 11 o 112.9202 3.250073 627.4607       35.88549 622.7000       76.70284 628.7947       40.60330 111.3699 7.072724 112.9544 3.677316 -1.584496      7.971580 
1 1 1 -2  29 12 f 96.56219 3.732700 459.9506       35.21420 449.2000       66.42385 464.1533       41.53070 94.40916 7.243249 96.85760 4.391984 -2.448433      8.470784 
1 1 1 -2  29 13 o 81.57773 3.683960 328.4847       29.34071 414.3000       61.62284 303.3267       33.36549 90.69333 6.995640 78.24722 4.373752 12.44611       8.250375 
1 1 1 -2  29 14 f 67.13530 3.186789 222.2061       20.88185 197.8000       51.95088 226.9091       22.80524 61.82210 8.836102 67.80186 3.447583 -5.979759      9.484859 
1 1 1 -2  29 15 o 22.20271 6.311473 25.27916       14.36254 0.000000       0.000000 25.27916       14.36254 ?        ?        22.20271 6.311473 ?              ?        
1 1 1 -2  29 16 o 105.4964 3.089957 548.1158       31.87338 636.9000       74.78120 528.4063       35.23405 112.4030 6.829082 103.4929 3.483092 8.910095       7.666048 
1 1 1 -2  29 17 o 76.04717 2.917357 284.9164       21.67568 320.4000       57.63261 279.0702       23.39324 79.23796 7.520727 75.21411 3.184702 4.023849       8.167231 
1 1 1 -2  29 18 o 79.19289 7.960060 322.1000       60.86736 0.000000       0.000000 322.1000       60.86736 ?        ?        79.19289 7.960060 ?              ?        
1 1 1 -2  29 19 o 97.07210 7.181737 479.3000       67.75533 479.3000       67.75533 0.000000       0.000000 97.07210 7.181737 ?        ?        ?              ?        
1 1 1 -2  29 20 o 59.25426 8.908559 184.6000       50.07177 184.6000       50.07177 0.000000       0.000000 59.25426 8.908559 ?        ?        ?              ?        
1 1 1 -2  29 21 o 101.9998 5.199311 520.5847       51.73882 495.0000       69.94448 551.5000       76.88669 98.40911 7.313541 103.7097 7.627361 -5.300583      10.56714 
1 1 1 -2  29 22 o 81.10563 5.318490 330.2498       41.98969 336.0000       58.18336 324.0000       60.65874 80.86091 7.434274 79.13245 7.938375 1.728462       10.87595 
1 1 1 -2  29 23 o 47.15575 11.01056 123.5000       49.89505 0.000000       0.000000 123.5000       49.89505 ?        ?        47.15575 11.01056 ?              ?        
1 1 1 -2  29 24 o 57.74832 6.664324 171.2090       36.98030 217.7000       52.60863 125.8000       51.99289 64.29696 8.572523 47.37700 11.35897 16.91996       14.23076 
1 1 1 -2  29 25 o 69.20361 5.920802 243.2352       39.72161 234.4000       55.09319 252.8000       57.32281 66.59018 8.657168 69.18868 8.652874 -2.598503      12.24005 
1 1 1 -2  29 26 o 23.52250 9.272752 19.53437       31.42246 4.988000       44.17681 34.43000       44.70402 24.11707 10.37151 28.70089 11.13378 -4.583822      15.21609 
1 1 1 -2  29 27 f 106.7678 5.116610 573.4437       53.31667 543.9000       74.13255 605.1000       76.73721 102.4428 7.443797 108.1989 7.288159 -5.756142      10.41765 
1 1 1 -2  29 28 o 58.11723 6.469419 174.5851       36.17933 194.4000       50.21737 153.2000       52.16901 60.08858 8.798674 52.19208 10.57454 7.896500       13.75637 
1 1 1 -2  29 29 o 36.38769 9.174801 73.71372       32.66564 100.9000       44.14684 40.82000       48.56028 41.90771 10.72017 29.85555 11.59786 12.05216       15.79343 
1 1 1 -2  29 30 o 33.78897 9.482558 64.30756       32.63474 29.50000       43.67714 108.3000       49.10282 27.15021 10.85775 42.78454 11.48521 -15.63433      15.80509 
1 1 1 -2  29 31 o 57.34208 6.560114 172.3677       36.15870 142.8000       48.49080 209.4000       54.26768 49.82449 10.28392 61.34203 9.331869 -11.51754      13.88678 
1 1 1 -2  29 32 o 45.93794 7.642944 114.2283       33.15973 132.5000       45.03873 92.60000       49.00137 48.10212 9.896049 39.00179 11.81741 9.100334       15.41372 
1 1 1 -2  29 33 f 58.53783 6.300288 179.5627       35.53198 154.9000       47.17426 211.9000       54.01773 52.16784 9.591732 61.45383 9.268049 -9.285984      13.33784 
1 1 1 -2  29 34 o 22.63109 9.772450 7.613000       39.53294 7.613000       39.53294 0.000000       0.000000 22.63109 9.772450 ?        ?        ?              ?        
1 1 1 -2  29 35 o 24.76634 9.292456 29.84902       30.48011 55.80000       41.54966 -0.3884000     44.85006 31.11528 10.96875 22.67878 10.07937 8.436502       14.89655 
1 1 1 -2  29 36 o 29.17805 11.15600 45.36000       44.42397 0.000000       0.000000 45.36000       44.42397 ?        ?        29.17805 11.15600 ?              ?        
1 1 1 -2  29 37 o 37.67810 8.875105 81.88881       32.18886 123.2000       45.18969 39.34000       45.86160 45.25698 10.41714 28.12449 11.16587 17.13249       15.27067 
1 1 1 -2  29 38 o 21.60380 8.924223 15.04190       30.65492 50.03000       42.66673 -22.29000      44.07265 29.59847 11.01661 19.96774 9.292289 9.630730       14.41223 
1 1 1 -2  29 39 o 21.03483 8.863761 11.52026       31.13990 -25.90000      42.80681 53.58000       45.38296 19.27729 9.032101 30.24454 11.34073 -10.96725      14.49797 
1 1 1 -2  29 40 f 29.16945 9.618517 50.49473       31.85446 104.0000       45.92466 0.8842000      44.22161 40.21300 11.23568 22.17886 9.922671 18.03413       14.99000 
1 1 1 -2  29 41 o 31.00476 9.630670 58.26592       32.29196 34.92000       44.92595 83.22000       46.44752 26.73639 10.89680 35.53904 11.60896 -8.802641      15.92194 
1 1 1 -2  29 42 o 19.99986 8.644225 6.570126       30.98820 31.06000       43.13871 -19.54000      44.54289 25.88900 10.62922 20.03959 9.331111 5.849403       14.14390 
1 1 1 -2  29 43 o 20.50524 8.724305 10.38576       30.65649 -7.757000      42.28413 30.49000       44.51121 20.67391 9.430557 25.89554 10.73061 -5.221632      14.28570 
1 1 1 -2  29 44 o 27.32375 10.85312 40.61000       43.34809 40.61000       43.34809 0.000000       0.000000 27.32375 10.85312 ?        ?        ?              ?        
1 1 1 -2  29 45 o 39.38820 8.879208 92.17630       33.41215 64.41000       46.93720 120.7000       47.57306 31.53849 11.58782 43.01453 11.19313 -11.47604      16.11098 
1 1 1 -2  29 46 o 16.57848 8.080163 -56.46000      42.43290 0.000000       0.000000 -56.46000      42.43290 ?        ?        16.57848 8.080163 ?              ?        
1 1 1 -2  29 47 o 38.29853 8.944192 88.16672       32.91942 76.55000       45.96474 100.4000       47.16880 33.65086 11.55630 38.42707 11.58382 -4.776203      16.36255 
1 1 1 -2  29 48 o 31.08500 9.477350 59.98877       31.45017 55.04000       43.51657 65.40000       45.50450 29.49759 11.09568 31.39013 11.42917 -1.892542      15.92922 
1 1 1 -2  29 49 o 30.48561 9.438402 58.22911       31.04432 53.91000       42.89420 62.98000       44.98713 29.03811 10.99537 30.67665 11.33180 -1.638544      15.78949 
1 1 1 -2  29 50 o 18.01637 8.053310 -0.7824695     29.06071 -23.60000      38.91052 28.00000       43.70154 17.90846 8.458817 24.63432 10.44619 -6.725857      13.44152 
1 1 1 -2  29 51 o 28.44385 9.398436 51.67439       30.40828 53.44000       40.72613 49.45000       45.71202 28.39795 10.72267 27.72679 11.10121 0.6711597      15.43413 
1 1 1 -2  30 1  o 74.56732 3.650737 274.3256       26.56520 286.6000       55.69138 270.7101       30.22554 75.22221 7.670966 73.97887 4.191219 1.243340       8.741283 
1 1 1 -2  30 2  f 94.68469 3.936198 442.4462       36.40112 417.1000       64.62751 454.2234       44.05369 90.99939 7.317224 95.76735 4.714062 -4.767960      8.704260 
1 1 1 -2  30 3  o 94.01980 3.894788 436.2172       35.76580 453.2000       66.15804 429.2042       42.51393 94.91882 7.173831 93.08957 4.680797 1.829247       8.565845 
1 1 1 -2  30 4  o 122.8650 3.395343 743.1322       40.79448 764.5000       86.01449 736.9309       46.33752 123.4025 7.151645 122.2428 3.877509 1.159729       8.135177 
1 1 1 -2  30 5  o 102.2116 3.763214 515.2462       37.58575 0.000000       0.000000 515.2462       37.58575 ?        ?        102.2116 3.763214 ?              ?        
1 1 1 -2  30 6  o 136.8543 4.010267 924.2025       53.66232 0.000000       0.000000 924.2025       53.66232 ?        ?        136.8543 4.010267 ?              ?        
1 1 1 -2  30 7  o 102.0370 3.286146 512.6823       32.77813 572.0000       72.18094 497.2721       36.79028 106.6853 6.949959 100.3974 3.750323 6.287926       7.897268 
1 1 1 -2  30 8  o 81.49477 3.357296 327.3622       26.72357 407.3000       61.63132 308.8529       29.65649 89.88785 7.061432 79.06530 3.843534 10.82255       8.039688 
1 1 1 -2  30 9  o 170.3702 3.866610 1431.143       64.48079 1610.000       141.0242 1383.867       72.50349 178.3195 8.100733 167.2822 4.431857 11.03735       9.233809 
1 1 1 -2  30 10 o 104.9898 3.663479 543.8508       37.59075 0.000000       0.000000 543.8508       37.59075 ?        ?        104.9898 3.663479 ?              ?        
1 1 1 -2  30 11 o 89.25137 3.935331 393.8574       34.29520 463.4000       65.55140 367.6485       40.24209 95.79617 7.039980 86.01037 4.798980 9.785805       8.520067 
1 1 1 -2  30 12 o 54.86395 3.660476 149.0720       19.54517 222.0000       51.84054 136.9877       21.10246 65.65018 8.248945 52.49448 4.140389 13.15570       9.229731 
1 1 1 -2  30 13 o 63.30390 3.820831 198.5263       23.56503 233.2000       52.78450 189.8954       26.33511 67.26967 8.184676 61.78877 4.382756 5.480896       9.284260 
1 1 1 -2  30 14 o 90.04092 3.112083 399.6539       27.38697 427.1000       64.29689 393.5707       30.27024 91.67860 7.223305 89.27412 3.470661 2.404472       8.013840 
1 1 1 -2  30 15 o 65.42866 3.203329 211.3981       20.45284 269.9000       53.99488 201.5979       22.09967 72.51357 7.726083 63.82462 3.551463 8.688953       8.503249 
1 1 1 -2  30 16 o 92.62211 3.011353 422.8509       27.26496 439.2000       65.16074 419.3810       30.01920 92.86908 7.224981 92.16765 3.332960 0.7014313      7.956693 
1 1 1 -2  30 17 o 38.06767 3.638606 72.21178       13.39327 102.5000       45.82045 69.38224       14.00490 43.21843 10.84911 37.25798 3.897817 5.960445       11.52806 
1 1 1 -2  30 18 o 92.22218 5.172153 425.6405       46.50175 439.1000       65.19376 411.7000       66.34824 92.70756 7.241723 89.53913 7.643265 3.168427       10.52911 
1 1 1 -2  30 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  30 20 f 43.76025 11.98608 108.0000       52.84392 0.000000       0.000000 108.0000       52.84392 ?        ?        43.76025 11.98608 ?              ?        
1 1 1 -2  30 21 o 76.96331 7.961339 307.7000       59.11089 307.7000       59.11089 0.000000       0.000000 76.96331 7.961339 ?        ?        ?              ?        
1 1 1 -2  30 22 o 86.92807 7.777474 391.4000       65.47820 0.000000       0.000000 391.4000       65.47820 ?        ?        86.92807 7.777474 ?              ?        
1 1 1 -2  30 23 o 88.39423 5.273124 393.2697       45.41713 355.0000       62.02785 437.5000       66.68362 82.65109 7.757803 92.00479 7.468791 -9.353699      10.76877 
1 1 1 -2  30 24 o 74.14304 5.657093 278.6155       40.74538 291.6000       56.95104 265.0000       58.31864 74.67154 7.912086 70.74975 8.597510 3.921791       11.68410 
1 1 1 -2  30 25 o 63.24828 6.204883 204.9379       37.92008 192.0000       52.81802 218.7000       54.47452 59.56975 9.367251 63.89212 8.956054 -4.322369      12.95980 
1 1 1 -2  30 26 o 52.31625 7.207561 143.6187       35.92914 94.78000       48.67192 202.1000       53.26052 40.43417 11.65866 61.03596 9.200468 -20.60179      14.85170 
1 1 1 -2  30 27 o 61.92144 6.336433 198.1579       37.86443 205.9000       52.11324 189.5000       55.10903 61.62800 8.896220 58.35946 10.00733 3.268547       13.38990 
1 1 1 -2  30 28 o 50.66338 7.439536 136.5827       35.79497 86.96000       47.56257 201.4000       54.35893 38.37875 11.64554 60.29954 9.525790 -21.92080      15.04524 
1 1 1 -2  30 29 o 68.59396 5.948744 242.9815       39.54637 268.1000       54.47769 215.0000       57.49853 70.62669 8.022288 61.84029 9.827455 8.786404       12.68605 
1 1 1 -2  30 30 o 26.68825 9.519549 36.95835       31.37580 26.85000       42.03161 49.68000       47.15281 26.16969 10.58612 30.63561 11.54428 -4.465916      15.66322 
1 1 1 -2  30 31 o 35.07936 9.083068 70.15421       31.43145 91.28000       43.31168 46.65000       45.68475 39.04977 10.91162 29.87484 11.33929 9.174932       15.73667 
1 1 1 -2  30 32 o 25.84961 10.57589 25.68000       42.51804 25.68000       42.51804 0.000000       0.000000 25.84961 10.57589 ?        ?        ?              ?        
1 1 1 -2  30 33 o 34.94699 11.24031 74.14000       43.64275 74.14000       43.64275 0.000000       0.000000 34.94699 11.24031 ?        ?        ?              ?        
1 1 1 -2  30 34 o 23.25010 9.208191 22.31812       31.11831 22.74000       42.09925 21.81000       46.20221 25.19297 10.43732 25.70765 10.81266 -0.5146790     15.02835 
1 1 1 -2  30 35 o 61.40789 9.641431 217.6000       56.04536 0.000000       0.000000 217.6000       56.04536 ?        ?        61.40789 9.641431 ?              ?        
1 1 1 -2  30 36 o 49.71551 7.454865 135.3631       35.16044 152.5000       48.39215 116.2000       51.17304 50.70786 10.10467 42.60488 11.84422 8.102974       15.56888 
1 1 1 -2  30 37 o 41.33593 8.413442 97.35078       32.88244 84.57000       45.14042 111.8000       47.99647 36.48313 11.39505 41.97975 11.39227 -5.496620      16.11307 
1 1 1 -2  30 38 o 44.81654 7.982979 113.0864       33.73536 116.3000       46.76629 109.6000       48.71114 42.92578 11.06141 41.13248 11.59981 1.793297       16.02843 
1 1 1 -2  30 39 o 34.31558 9.347945 70.96197       32.24393 40.46000       44.78148 103.8000       46.46469 27.61714 11.01095 39.93707 11.35190 -12.31993      15.81476 
1 1 1 -2  30 40 o 34.69983 9.401888 73.02981       32.72081 61.41000       45.50492 85.47000       47.08390 31.18716 11.41770 35.82039 11.68740 -4.633226      16.33889 
1 1 1 -2  30 41 o 37.88200 8.926532 85.14008       32.55302 90.11000       44.76072 79.56000       47.42891 37.05957 11.30787 34.59046 11.74216 2.469116       16.30172 
1 1 1 -2  30 42 o 34.73125 9.294827 73.27904       32.22023 89.38000       44.50193 55.54000       46.71087 36.77291 11.28561 29.99109 11.44624 6.781824       16.07424 
1 1 1 -2  30 43 o 38.63475 11.28511 98.80000       45.33582 98.80000       45.33582 0.000000       0.000000 38.63475 11.28511 ?        ?        ?              ?        
1 1 1 -2  30 44 o 27.42459 9.618990 44.55096       31.92455 32.22000       45.65414 56.35000       44.65858 26.11929 10.84927 30.00497 11.25008 -3.885675      15.62917 
1 1 1 -2  30 45 o 26.92192 9.727612 42.42067       32.88018 75.81000       48.92065 14.91000       44.40573 33.41455 11.89022 23.55505 10.26289 9.859497       15.70682 
1 1 1 -2  30 46 o 29.92980 9.608477 55.46997       31.90126 28.44000       44.39795 84.32000       45.86836 25.26530 10.61136 35.15714 11.53944 -9.891840      15.67672 
1 1 1 -2  30 47 o 34.95124 9.201238 75.17135       31.90395 76.47000       44.36110 73.78000       45.91713 33.54343 11.35634 32.87836 11.53566 0.6650734      16.18758 
1 1 1 -2  30 48 o 35.83044 9.127188 79.37427       32.09495 56.74000       43.80762 105.6000       47.15527 29.47856 11.12309 38.93557 11.54592 -9.457010      16.03220 
1 1 1 -2  30 49 o 19.28980 8.372266 7.495496       29.31543 58.97000       39.59405 -54.96000      43.61332 29.71454 10.68269 16.64835 8.131145 13.06618       13.42518 
1 1 1 -2  30 50 o 14.87536 7.082905 -24.80132      28.36791 -37.58000      36.95521 -6.469000      44.26306 16.15195 7.793069 20.44675 9.444485 -4.294804      12.24460 
1 1 1 -2  31 1  o 112.6820 3.990387 627.4188       43.94300 700.0000       81.05660 597.2080       52.29464 117.8564 7.058680 109.6706 4.883730 8.185883       8.583460 
1 1 1 -2  31 2  o 105.3610 3.360742 547.1083       34.61509 591.7000       73.53139 534.4131       39.23433 108.3550 6.969912 104.0143 3.860301 4.340683       7.967534 
1 1 1 -2  31 3  o 54.06260 4.155721 145.1990       21.82260 126.4000       49.22526 149.7973       24.34573 48.51738 10.65736 54.83147 4.577879 -6.314087      11.59897 
1 1 1 -2  31 4  o 124.7211 3.905529 768.3807       47.62012 0.000000       0.000000 768.3807       47.62012 ?        ?        124.7211 3.905529 ?              ?        
1 1 1 -2  31 5  o 64.50585 4.228790 206.5262       26.55339 0.000000       0.000000 206.5262       26.55339 ?        ?        64.50585 4.228790 ?              ?        
1 1 1 -2  31 6  o 125.9516 4.009593 784.2513       49.36924 833.8000       90.17366 763.0419       58.99682 128.4642 7.200005 123.9393 4.872597 4.524887       8.693806 
1 1 1 -2  31 7  o 63.48340 3.661023 199.4249       22.65285 236.7000       53.30271 191.2086       25.02523 67.79633 8.198572 62.06138 4.143288 5.734943       9.186045 
1 1 1 -2  31 8  o 72.73290 3.477338 261.3672       24.68449 242.4000       55.55161 266.0337       27.55421 68.46523 8.469790 73.30247 3.853820 -4.837242      9.305335 
1 1 1 -2  31 9  o 73.97981 3.406876 270.3535       24.60414 292.7000       57.36388 265.3157       27.23669 75.52748 7.874927 73.20006 3.814500 2.327423       8.750136 
1 1 1 -2  31 10 o 35.36904 5.326247 63.64275       17.86797 120.3000       47.09486 54.11569       19.31190 47.13306 10.47928 32.31701 6.331588 14.81606       12.24354 
1 1 1 -2  31 11 o 137.6386 4.096293 938.1675       55.12570 1038.000       102.2829 897.2975       65.44386 142.9653 7.333645 134.2238 4.989878 8.741455       8.870244 
1 1 1 -2  31 12 o 59.25620 6.244044 178.1248       35.67269 218.0000       52.40765 143.7000       48.69436 64.72994 8.474830 51.75531 9.973736 12.97464       13.08809 
1 1 1 -2  31 13 o 20.17133 6.469543 20.11878       14.46504 30.08000       43.76590 18.89721       15.32634 28.20471 10.99521 19.88331 6.674984 8.321402       12.86274 
1 1 1 -2  31 14 o 63.42284 3.770501 199.5462       23.30163 288.4000       53.87752 179.1020       25.84368 74.96986 7.440061 59.91587 4.438138 15.05399       8.663231 
1 1 1 -2  31 15 o 96.39915 3.121469 458.5815       29.41477 401.0000       64.03028 473.9838       33.11596 88.41933 7.468064 97.91438 3.460733 -9.495049      8.230957 
1 1 1 -2  31 16 o 17.05372 5.879095 13.39951       11.89986 0.000000       0.000000 13.39951       11.89986 ?        ?        17.05372 5.879095 ?              ?        
1 1 1 -2  31 17 o 105.8390 3.433759 553.9633       35.52603 569.8000       72.95950 549.0415       40.67360 105.5854 7.100754 105.1892 3.957405 0.3962173      8.129068 
1 1 1 -2  31 18 o 42.67091 11.03852 101.6000       46.45061 101.6000       46.45061 0.000000       0.000000 42.67091 11.03852 ?        ?        ?              ?        
1 1 1 -2  31 19 o 126.9577 5.159856 807.9106       63.98779 833.3000       90.56283 782.6000       90.42213 127.4620 7.289162 123.3263 7.526375 4.135727       10.47751 
1 1 1 -2  31 20 o 63.25753 9.180206 213.7000       55.18352 0.000000       0.000000 213.7000       55.18352 ?        ?        63.25753 9.180206 ?              ?        
1 1 1 -2  31 21 o 57.56398 9.879289 180.5000       53.66121 0.000000       0.000000 180.5000       53.66121 ?        ?        57.56398 9.879289 ?              ?        
1 1 1 -2  31 22 o 60.36863 6.574038 187.7022       38.21952 191.2000       52.95789 183.9000       55.21380 59.46625 9.411054 57.89083 10.11166 1.575417       13.81353 
1 1 1 -2  31 23 o 57.04196 9.290452 176.4000       50.08896 176.4000       50.08896 0.000000       0.000000 57.04196 9.290452 ?        ?        ?              ?        
1 1 1 -2  31 24 o 40.83261 8.764708 91.26298       33.98296 102.1000       46.65008 79.01000       49.60417 42.09992 11.14665 37.09105 11.98821 5.008877       16.36963 
1 1 1 -2  31 25 o 73.04767 5.790360 272.9684       41.06322 215.1000       54.58728 348.4000       62.32288 62.80536 9.148129 81.09508 7.953581 -18.28972      12.12220 
1 1 1 -2  31 26 o 49.39452 7.624081 130.5025       35.67632 88.96000       47.17573 186.0000       54.52670 38.79760 11.55918 57.51470 10.05123 -18.71710      15.31802 
1 1 1 -2  31 27 o 40.44123 9.117701 91.96024       35.22749 102.8000       47.34811 78.52000       52.72252 41.51916 11.33493 36.28727 12.37907 5.231895       16.78458 
1 1 1 -2  31 28 o 36.08492 9.299106 74.33854       33.05054 34.55000       43.32905 129.7000       51.10977 27.62164 10.88872 46.50339 11.33333 -18.88175      15.71651 
1 1 1 -2  31 29 o 56.82882 6.526944 170.0530       35.64822 156.6000       48.47277 185.9000       52.60929 52.30160 9.829169 57.14402 9.755485 -4.842415      13.84854 
1 1 1 -2  31 30 o 28.65852 9.547937 45.84923       31.36682 81.59000       43.41946 6.837000       45.36312 36.71051 11.12416 23.73315 10.35616 12.97736       15.19858 
1 1 1 -2  31 31 o 68.34483 8.429273 257.8000       55.19643 257.8000       55.19643 0.000000       0.000000 68.34483 8.429273 ?        ?        ?              ?        
1 1 1 -2  31 32 f 30.51387 9.666548 53.83007       32.37360 99.99000       45.19015 5.165000       46.40021 40.37114 11.09468 23.58835 10.37812 16.78279       15.19201 
1 1 1 -2  31 33 o 70.05937 8.468361 272.9000       56.89570 0.000000       0.000000 272.9000       56.89570 ?        ?        70.05937 8.468361 ?              ?        
1 1 1 -2  31 34 o 47.00522 8.215663 123.8910       36.42493 111.8000       51.93095 135.6000       51.10426 41.57224 12.05946 46.65547 11.30949 -5.083233      16.53285 
1 1 1 -2  31 35 o 46.68118 7.907062 121.5811       34.84125 146.5000       47.59127 92.80000       51.14655 49.46288 10.16965 37.63246 12.17399 11.83041       15.86279 
1 1 1 -2  31 36 o 65.25101 5.960943 224.4421       37.65220 205.5000       51.60773 246.0000       55.05587 59.72392 9.116388 65.75589 8.772532 -6.031975      12.65171 
1 1 1 -2  31 37 o 45.52813 7.825939 116.4952       33.61889 93.12000       45.87959 143.6000       49.40442 37.84074 11.42821 48.01678 10.77675 -10.17604      15.70804 
1 1 1 -2  31 38 o 29.98357 9.514948 54.16227       31.35439 30.11000       42.18507 83.85000       46.86721 25.65015 10.51890 35.56995 11.66382 -9.919792      15.70643 
1 1 1 -2  31 39 o 40.26117 8.576459 94.87519       32.76308 58.83000       43.87701 140.3000       49.25609 30.60150 11.21027 46.90907 10.93082 -16.30758      15.65736 
1 1 1 -2  31 40 o 33.70645 9.475325 69.31381       32.55622 118.0000       44.83297 15.00000       47.35324 43.16552 10.67201 24.18736 10.56710 18.97816       15.01850 
1 1 1 -2  31 41 o 18.77120 8.323676 -0.4957020E-01 30.41231 14.84000       41.02722 -18.21000      45.31000 23.05778 9.956059 20.19902 9.407284 2.858761       13.69745 
1 1 1 -2  31 42 o 26.62713 10.64233 37.93000       41.93622 37.93000       41.93622 0.000000       0.000000 26.62713 10.64233 ?        ?        ?              ?        
1 1 1 -2  31 43 o 34.47876 11.55369 80.22000       45.91957 0.000000       0.000000 80.22000       45.91957 ?        ?        34.47876 11.55369 ?              ?        
1 1 1 -2  31 44 o 19.35961 8.493150 3.695000       30.87244 -12.50000      43.66022 19.89000       43.66022 20.29539 9.376478 24.01729 10.31940 -3.721893      13.94304 
1 1 1 -2  31 45 o 24.60912 9.318028 33.04572       30.80484 -3.479000      42.44638 73.69000       44.77617 20.91543 9.504881 33.01827 11.40321 -12.10284      14.84507 
1 1 1 -2  31 46 o 26.00290 9.458728 39.70633       31.15634 8.389000       42.84561 74.85000       45.38763 22.24278 9.870484 33.01008 11.47659 -10.76731      15.13732 
1 1 1 -2  31 47 o 24.72407 9.324260 34.67798       30.77519 23.46000       42.54485 46.99000       44.57121 23.98712 10.24388 27.71900 11.00677 -3.731884      15.03616 
1 1 1 -2  31 48 o 20.55735 8.643661 15.10728       29.51027 37.28000       40.07447 -11.16000      43.61800 25.61256 10.34534 19.97886 9.279345 5.633696       13.89720 
1 1 1 -2  32 1  o 110.6657 3.937609 606.2260       42.58524 575.0000       75.62946 620.7227       51.53076 106.3155 7.312085 111.7074 4.723454 -5.391930      8.705032 
1 1 1 -2  32 2  o 79.93620 3.493763 315.8271       27.27049 271.0000       58.10271 328.4920       30.88348 72.35424 8.357445 81.43233 3.885779 -9.078087      9.216624 
1 1 1 -2  32 3  o 43.68263 5.582177 96.75242       23.32348 0.000000       0.000000 96.75242       23.32348 ?        ?        43.68263 5.582177 ?              ?        
1 1 1 -2  32 4  o 57.81596 4.036180 166.1488       22.69804 160.5000       52.86542 167.4254       25.13247 54.65241 10.25893 57.93969 4.465962 -3.287277      11.18886 
1 1 1 -2  32 5  o 115.7405 3.356770 661.1245       37.98866 645.7000       79.77054 665.6486       43.20212 112.6653 7.272307 115.9970 3.810145 -3.331749      8.209973 
1 1 1 -2  32 6  o 74.95969 4.225049 279.1920       30.87480 192.1000       54.81978 319.6512       37.36435 60.16949 9.632790 80.05650 4.790108 -19.88701      10.75806 
1 1 1 -2  32 7  o 24.20912 7.126476 30.26094       18.01910 -0.6206000     44.54378 36.30319       19.70321 23.78420 10.32160 26.34788 7.358614 -2.563679      12.67614 
1 1 1 -2  32 8  o 64.64784 4.625836 208.6462       29.07842 288.8000       56.17168 179.3029       33.98679 74.88289 7.776637 59.52631 5.911048 15.35658       9.768140 
1 1 1 -2  32 9  o 81.54164 3.318871 328.5266       26.43428 460.6000       63.67413 301.0238       29.05653 95.17724 6.881228 77.92654 3.821012 17.25069       7.870924 
1 1 1 -2  32 10 o 74.54429 3.384079 274.8047       24.62787 310.1000       55.79468 266.2639       27.44635 77.72698 7.423641 73.26490 3.840623 4.462082       8.358279 
1 1 1 -2  32 11 o 67.59859 3.470355 226.2665       22.88557 285.4000       53.62510 213.0980       25.30581 74.48127 7.455659 65.47934 3.966905 9.001930       8.445306 
1 1 1 -2  32 12 o 41.76269 6.217669 89.65475       24.64304 115.8000       45.31983 78.67908       29.36346 45.98291 10.32268 38.49086 8.052826 7.492050       13.09220 
1 1 1 -2  32 13 o 100.0081 3.213075 494.0250       31.41219 484.8000       68.24966 496.5043       35.38256 97.28924 7.218292 100.1369 3.615782 -2.847702      8.073266 
1 1 1 -2  32 14 o 92.27068 3.699257 422.0359       33.34288 404.8000       63.38043 428.6313       39.20672 88.71852 7.364861 92.77364 4.329414 -4.055122      8.543126 
1 1 1 -2  32 15 o 25.64873 5.559930 34.24274       13.55520 59.35000       42.91488 31.46020       14.28660 33.44575 11.16864 24.51046 6.003306 8.935293       12.67984 
1 1 1 -2  32 16 o 46.60997 3.807154 108.3403       17.21824 98.65000       45.42263 109.9664       18.60689 42.00674 10.94038 46.89310 4.094801 -4.886360      11.68157 
1 1 1 -2  32 17 o 77.93341 3.106735 300.2756       23.65173 272.9000       55.82799 306.2638       26.11073 72.25706 8.028820 78.62984 3.400582 -6.372780      8.719284 
1 1 1 -2  32 18 o 83.07213 5.309275 347.9301       42.94549 369.3000       60.48183 326.2000       60.98955 84.46436 7.389879 78.98222 7.999131 5.482132       10.89020 
1 1 1 -2  32 19 o 38.99735 11.58544 86.43000       47.44387 0.000000       0.000000 86.43000       47.44387 ?        ?        38.99735 11.58544 ?              ?        
1 1 1 -2  32 20 o 51.59632 7.209672 139.2358       35.41892 179.5000       49.12635 95.65000       51.11250 57.75911 8.981091 40.71566 12.00699 17.04345       14.99426 
1 1 1 -2  32 21 o 55.84151 6.833736 162.1899       36.57516 178.9000       49.50188 142.1000       54.27754 57.45439 9.105488 49.75622 11.39097 7.698170       14.58301 
1 1 1 -2  32 22 o 42.38189 8.602887 98.04858       34.46809 79.71000       45.75922 122.1000       52.40420 37.18882 11.44952 45.68562 11.67620 -8.496807      16.35314 
1 1 1 -2  32 23 o 64.70452 9.402180 230.0000       57.80685 0.000000       0.000000 230.0000       57.80685 ?        ?        64.70452 9.402180 ?              ?        
1 1 1 -2  32 24 o 64.41853 6.348847 215.4724       39.51265 164.8000       51.82817 285.8000       61.05811 53.89941 10.19711 72.49035 8.784115 -18.59094      13.45889 
1 1 1 -2  32 25 o 36.02471 11.32548 76.81000       44.51740 76.81000       44.51740 0.000000       0.000000 36.02471 11.32548 ?        ?        ?              ?        
1 1 1 -2  32 26 o 40.85678 8.786315 93.70148       34.09345 43.62000       45.05482 160.8000       52.15059 29.34210 11.23091 52.57354 10.50185 -23.23144      15.37602 
1 1 1 -2  32 27 o 30.49106 9.625164 52.86424       32.12264 57.52000       43.08960 47.04000       48.19439 31.72609 11.17134 30.11615 11.59301 1.609943       16.09959 
1 1 1 -2  32 28 o 58.25528 6.539272 179.2175       36.64514 230.9000       50.83336 123.3000       52.87502 64.94053 8.177941 44.51529 11.90421 20.42524       14.44261 
1 1 1 -2  32 29 o 30.98930 9.588828 55.46691       32.04707 28.91000       42.60273 90.08000       48.63723 26.29347 10.64997 37.97945 11.82291 -11.68597      15.91236 
1 1 1 -2  32 30 o 35.74477 11.24088 78.61000       43.85156 78.61000       43.85156 0.000000       0.000000 35.74477 11.24088 ?        ?        ?              ?        
1 1 1 -2  32 31 o 86.05119 5.302895 381.5858       44.44893 390.7000       62.24149 372.1000       63.49791 84.92521 7.566663 82.44342 7.967771 2.481789       10.98816 
1 1 1 -2  32 32 o 61.09868 9.093860 213.0000       52.73081 0.000000       0.000000 213.0000       52.73081 ?        ?        61.09868 9.093860 ?              ?        
1 1 1 -2  32 33 o 58.80363 6.497483 184.5015       36.77563 141.5000       50.71209 232.2000       53.40991 47.81213 11.05654 64.02462 8.751343 -16.21249      14.10081 
1 1 1 -2  32 34 o 29.26430 9.527214 50.24755       31.29614 40.75000       42.71021 61.26000       45.99046 27.78100 10.85264 31.63465 11.49420 -3.853651      15.80811 
1 1 1 -2  32 35 o 18.63358 8.275710 -1.840706      30.18139 27.01000       41.30508 -34.89000      44.20855 25.22044 10.38269 18.75808 8.905974 6.462362       13.67906 
1 1 1 -2  32 36 o 49.14621 7.434972 134.4099       34.64990 151.4000       47.86305 115.7000       50.22711 49.75180 10.17205 41.69894 11.78564 8.052860       15.56830 
1 1 1 -2  32 37 o 20.56049 8.683854 11.60066       30.00006 26.02000       40.28142 -6.359000      44.95533 24.68566 10.21669 21.36119 9.736291 3.324469       14.11298 
1 1 1 -2  32 38 o 33.75656 9.344522 69.41837       31.92702 47.48000       42.56436 97.64000       48.27640 28.43684 10.90812 37.99218 11.77122 -9.555336      16.04832 
1 1 1 -2  32 39 o 19.97281 8.576401 8.145777       30.12242 11.80000       39.90733 3.307000       45.92222 22.49108 9.764977 22.52152 10.09115 -0.3043938E-01 14.04230 
1 1 1 -2  32 40 o 52.19827 9.661021 165.0000       47.54362 165.0000       47.54362 0.000000       0.000000 52.19827 9.661021 ?        ?        ?              ?        
1 1 1 -2  32 41 o 31.59224 9.370116 61.34068       31.05490 50.14000       42.32678 74.40000       45.70390 28.72811 10.91213 33.28954 11.51960 -4.561430      15.86745 
1 1 1 -2  32 42 o 38.53380 11.71112 101.6000       48.07378 0.000000       0.000000 101.6000       48.07378 ?        ?        38.53380 11.71112 ?              ?        
1 1 1 -2  32 43 o 23.90809 9.311357 29.46144       31.36355 5.471000       43.51396 55.40000       45.24624 22.11170 9.871248 29.55000 11.26840 -7.438305      14.98060 
1 1 1 -2  32 44 o 17.44009 7.934696 -7.563820      29.68725 -15.42000      40.43731 1.621000       43.72319 19.23835 8.935133 21.68661 9.770966 -2.448259      13.24041 
1 1 1 -2  32 45 o 31.06774 9.551862 60.92508       31.86122 100.7000       44.51076 19.13000       45.62711 38.46148 11.16694 23.90447 10.40927 14.55701       15.26609 
1 1 1 -2  32 46 o 19.82892 8.570696 9.025065       30.46577 -4.282000      41.06259 25.32000       45.43929 20.28584 9.268717 24.49696 10.52655 -4.211124      14.02560 
1 1 1 -2  32 47 o 34.56670 9.120882 75.52245       31.30295 81.18000       42.53777 68.84000       46.23053 33.85789 11.11257 31.02295 11.48234 2.834938       15.97916 
1 1 1 -2  33 1  o 34.84632 7.290279 63.92966       24.06590 93.15000       48.83234 54.55600       27.65791 40.89870 11.64161 31.93627 8.640079 8.962433       14.49752 
1 1 1 -2  33 2  o 58.53341 5.522445 173.0057       31.26638 0.000000       0.000000 173.0057       31.26638 ?        ?        58.53341 5.522445 ?              ?        
1 1 1 -2  33 3  o 31.38043 6.691933 51.60991       19.92718 41.65000       46.06652 53.90263       22.10206 30.45703 11.42469 31.95499 7.235096 -1.497965      13.52295 
1 1 1 -2  33 4  o 85.19523 4.079301 360.6134       33.91905 291.6000       59.89058 393.2027       41.15567 74.81820 8.318427 88.73573 4.755699 -13.91753      9.581905 
1 1 1 -2  33 5  o 32.95089 6.289287 56.45651       19.54523 54.27000       46.73832 56.91993       21.51699 32.84287 11.62843 32.92666 6.897441 -0.8378983E-01 13.52017 
1 1 1 -2  33 6  o 63.20348 4.297828 199.2461       26.43047 186.4000       53.92721 203.3075       30.32205 58.95714 9.680374 63.66920 4.903192 -4.712067      10.85131 
1 1 1 -2  33 7  o 34.10907 5.985702 60.14319       19.25587 47.31000       47.67818 62.64442       21.04891 31.61007 11.66772 34.69883 6.434247 -3.088760      13.32424 
1 1 1 -2  33 8  o 97.14998 3.316800 466.5834       31.49422 430.3000       66.31546 477.1502       35.78760 91.44451 7.473993 98.11478 3.733231 -6.670265      8.354495 
1 1 1 -2  33 9  o 50.53862 4.095797 127.5427       20.08784 162.3000       47.60509 120.0132       22.15708 55.11556 9.144495 48.86184 4.690257 6.253727       10.27717 
1 1 1 -2  33 10 o 26.59991 6.742139 37.31327       17.57434 74.40000       43.65304 30.13954       19.19897 36.70716 11.16043 24.16308 7.412115 12.54409       13.39756 
1 1 1 -2  33 11 o 24.86154 6.790389 32.47892       16.98792 46.31000       42.92817 29.91077       18.49795 30.76915 11.11539 24.02555 7.256693 6.743595       13.27446 
1 1 1 -2  33 12 o 36.42828 4.908559 67.42136       17.05746 9.141000       43.77253 77.85598       18.52162 24.66968 10.45764 39.18069 4.938999 -14.51101      11.56529 
1 1 1 -2  33 13 o 15.77378 6.994131 -5.740475      21.46963 22.58000       42.11041 -15.68772      24.95690 26.32573 10.61501 15.63716 7.175064 10.68857       12.81249 
1 1 1 -2  33 14 o 69.58028 3.236216 239.7482       21.98055 209.4000       53.02185 246.0460       24.15383 62.67135 8.892688 70.41663 3.515443 -7.745277      9.562334 
1 1 1 -2  33 15 o 74.36706 4.202069 276.0913       30.46347 269.8000       54.83412 278.9000       36.63771 71.74866 7.940580 74.41988 5.059685 -2.671219      9.415585 
1 1 1 -2  33 16 o 56.61068 3.322750 159.0806       18.33109 195.9000       49.81030 153.3127       19.71470 60.60452 8.641137 55.49064 3.649911 5.113880       9.380358 
1 1 1 -2  33 17 o 53.95446 3.517901 144.8488       18.47747 0.000000       0.000000 144.8488       18.47747 ?        ?        53.95446 3.517901 ?              ?        
1 1 1 -2  33 18 o 90.29467 7.730346 427.0000       67.66636 0.000000       0.000000 427.0000       67.66636 ?        ?        90.29467 7.730346 ?              ?        
1 1 1 -2  33 19 o 38.69503 8.843930 82.48934       32.76379 61.15000       42.79848 112.7000       50.92347 33.23136 11.15436 43.88398 11.65853 -10.65263      16.13508 
1 1 1 -2  33 20 o 29.31431 9.657030 46.36810       32.11277 5.566000       41.32012 108.6000       51.03015 23.19996 10.00434 42.84715 11.79560 -19.64718      15.46683 
1 1 1 -2  33 21 o 76.50076 5.613861 299.3804       41.74446 312.8000       56.62120 283.4000       61.78773 76.83759 7.628987 72.10873 8.945769 4.728851       11.75705 
1 1 1 -2  33 22 o 43.15018 8.422406 102.4232       34.29613 124.7000       46.67433 76.28000       50.56279 46.40729 10.51887 35.92168 12.12432 10.48561       16.05135 
1 1 1 -2  33 23 o 28.98623 9.741601 46.25496       32.64302 39.16000       43.41765 55.48000       49.50801 28.45181 10.98998 31.83477 11.86349 -3.382963      16.17164 
1 1 1 -2  33 24 o 88.78696 5.277826 403.4080       45.66109 434.1000       63.15834 369.8000       66.09047 90.46246 7.191894 82.41409 8.305965 8.048370       10.98692 
1 1 1 -2  33 25 o 26.68116 11.01452 26.71000       46.65672 0.000000       0.000000 26.71000       46.65672 ?        ?        26.68116 11.01452 ?              ?        
1 1 1 -2  33 26 f 64.59640 6.272385 218.9466       39.16083 204.8000       52.96918 236.0000       58.15722 60.17352 9.292090 64.46426 9.501343 -4.290741      13.28979 
1 1 1 -2  33 27 o 80.61613 7.839185 353.2000       61.07824 353.2000       61.07824 0.000000       0.000000 80.61613 7.839185 ?        ?        ?              ?        
1 1 1 -2  33 28 o 25.45499 10.49438 24.72000       42.27905 24.72000       42.27905 0.000000       0.000000 25.45499 10.49438 ?        ?        ?              ?        
1 1 1 -2  33 29 o 39.71248 11.25104 98.13000       45.71820 98.13000       45.71820 0.000000       0.000000 39.71248 11.25104 ?        ?        ?              ?        
1 1 1 -2  33 30 o 40.07187 8.827584 92.42339       33.68820 61.81000       45.65921 129.0000       49.90849 32.00636 11.47602 45.51755 11.26367 -13.51120      16.08009 
1 1 1 -2  33 31 o 22.00163 9.894099 -3.193000      44.59169 0.000000       0.000000 -3.193000      44.59169 ?        ?        22.00163 9.894099 ?              ?        
1 1 1 -2  33 32 o 20.02005 8.592503 6.910862       30.20809 0.9513000      41.21291 13.83000       44.40706 21.67995 9.647157 23.90309 10.33962 -2.223137      14.14126 
1 1 1 -2  33 33 o 50.17851 7.249322 138.3300       34.57493 118.8000       47.17285 161.0000       50.82368 43.33755 11.07913 51.37250 10.46299 -8.034946      15.23881 
1 1 1 -2  33 34 o 69.16079 5.858006 252.9269       39.28398 268.0000       54.55935 236.7000       56.60920 68.78718 8.268772 63.41222 9.404857 5.374962       12.52294 
1 1 1 -2  33 35 o 28.77434 9.558875 49.67567       31.44364 37.79000       42.23854 64.45000       47.09243 26.80545 10.69162 31.65825 11.61109 -4.852800      15.78379 
1 1 1 -2  33 36 o 16.63648 7.712175 -15.59592      29.91023 -8.344000      40.14931 -24.64000      44.83673 20.07134 9.168563 19.53640 9.182072 0.5349445      12.97586 
1 1 1 -2  33 37 o 19.46821 8.486318 4.577350       30.39346 -16.62000      39.87999 33.95000       46.94461 19.16621 8.891906 26.55334 11.01310 -7.387135      14.15466 
1 1 1 -2  33 38 f 24.77066 9.252574 33.53455       30.14934 31.97000       40.18212 35.55000       45.60634 25.43992 10.32882 26.52951 10.91453 -1.089586      15.02702 
1 1 1 -2  33 39 o 46.99219 10.28055 138.5000       45.96957 138.5000       45.96957 0.000000       0.000000 46.99219 10.28055 ?        ?        ?              ?        
1 1 1 -2  33 40 o 19.80790 8.534824 7.886877       30.02654 -21.61000      41.04979 41.83000       44.03509 18.86138 8.839661 27.31525 10.90940 -8.453873      14.04118 
1 1 1 -2  33 41 o 23.08127 10.15216 12.03000       44.37296 0.000000       0.000000 12.03000       44.37296 ?        ?        23.08127 10.15216 ?              ?        
1 1 1 -2  33 42 o 25.16992 9.407746 35.78688       31.17915 35.59000       42.77842 36.01000       45.53888 26.03895 10.62539 26.33618 10.87788 -0.2972260     15.20616 
1 1 1 -2  33 43 o 27.95290 9.489879 47.87021       30.97917 35.23000       42.24208 62.58000       45.56919 25.91635 10.56491 30.70819 11.39361 -4.791840      15.53807 
1 1 1 -2  33 44 o 29.91072 9.543080 56.57503       31.50509 88.21000       43.40194 21.34000       45.80498 35.77651 11.17334 24.11926 10.46685 11.65725       15.31008 
1 1 1 -2  33 45 o 17.64349 7.979931 -4.070947      29.49106 21.39000       39.27082 -37.00000      44.66037 23.10259 9.853277 18.08186 8.683983 5.020739       13.13387 
1 1 1 -2  33 46 o 21.35995 8.841895 19.54148       30.17755 -10.88000      40.10459 59.25000       45.81901 19.20535 8.912422 29.25163 11.29224 -10.04628      14.38561 
1 1 1 -2  34 1  o 63.00164 4.463846 198.5605       27.34928 0.000000       0.000000 198.5605       27.34928 ?        ?        63.00164 4.463846 ?              ?        
1 1 1 -2  34 2  o 55.84606 4.870664 156.8939       26.35871 172.8000       51.17621 151.1506       30.75138 56.59979 9.578679 54.47934 5.858654 2.120445       11.22831 
1 1 1 -2  34 3  o 79.04372 4.107581 311.0888       31.67140 290.5000       58.59748 319.5856       37.64355 74.53548 8.165214 79.85731 4.838516 -5.321823      9.491152 
1 1 1 -2  34 4  o 52.04758 4.381788 135.7155       22.11617 103.4000       49.53037 143.7630       24.71702 42.74557 11.56137 53.46611 4.773068 -10.72054      12.50790 
1 1 1 -2  34 5  o 88.33991 3.376478 386.3325       29.14250 307.5000       61.77119 408.9024       33.05205 76.55318 8.380375 90.77527 3.727774 -14.22209      9.172076 
1 1 1 -2  34 6  o 42.35919 4.901415 90.80464       19.94788 112.3000       48.60070 86.44981       21.87541 44.67432 11.15012 41.11949 5.578798 3.554829       12.46788 
1 1 1 -2  34 7  o 128.1044 3.445327 812.3265       43.16246 864.3000       91.44951 797.4301       48.95876 129.6938 7.232348 126.6979 3.952631 2.995934       8.241976 
1 1 1 -2  34 8  o 47.86624 4.272748 114.8720       19.80877 177.5000       47.92171 101.9659       21.75427 57.70923 8.758347 44.86147 5.041241 12.84777       10.10558 
1 1 1 -2  34 9  o 22.03501 6.958783 24.71745       16.78878 39.04000       42.45396 22.06236       18.27879 29.18274 10.96318 21.36728 7.288933 7.815460       13.16510 
1 1 1 -2  34 10 o 26.64506 6.565351 37.55844       17.01032 45.82000       43.24730 36.04641       18.50156 30.51834 11.13748 26.07322 7.072035 4.445127       13.19307 
1 1 1 -2  34 11 o 72.86100 3.417189 263.3549       24.30294 382.0000       59.97662 240.0473       26.58311 85.93164 7.196582 69.40333 3.929133 16.52831       8.199322 
1 1 1 -2  34 12 o 34.17183 5.251662 59.96467       17.00464 119.1000       48.13446 51.53203       18.17667 45.88521 10.88281 31.36983 6.139553 14.51538       12.49519 
1 1 1 -2  34 13 o 92.55513 4.687543 429.6979       42.32877 469.8000       66.88023 402.9000       54.67206 95.23183 7.228792 88.72881 6.336694 6.503021       9.612967 
1 1 1 -2  34 14 o 50.10181 3.928689 125.5874       19.11270 203.6000       50.22554 112.3776       20.66762 61.70940 8.544056 47.20550 4.528397 14.50390       9.669916 
1 1 1 -2  34 15 o 90.91732 3.646508 411.1826       32.38531 551.3000       67.84429 369.8335       36.85533 103.3557 6.742956 85.90088 4.397890 17.45483       8.050397 
1 1 1 -2  34 16 o 56.22930 9.938405 176.0000       52.69957 0.000000       0.000000 176.0000       52.69957 ?        ?        56.22930 9.938405 ?              ?        
1 1 1 -2  34 17 o 42.44013 3.981960 90.60341       16.34848 93.25000       47.58571 90.24922       17.40808 39.80629 11.54295 42.27302 4.265358 -2.466728      12.30581 
1 1 1 -2  34 18 o 42.48573 3.409763 90.21863       14.06095 83.37000       45.67091 90.93577       14.77880 37.62781 11.41035 42.61135 3.576262 -4.983547      11.95766 
1 1 1 -2  34 19 o 29.72561 9.778020 48.74800       32.92699 22.28000       42.94311 86.51000       51.29327 25.74982 10.59212 37.89128 12.18560 -12.14145      16.14565 
1 1 1 -2  34 20 o 65.55334 6.083214 223.1063       38.58789 230.1000       51.81838 214.4000       57.81596 65.01968 8.333373 61.48365 9.946335 3.536030       12.97593 
1 1 1 -2  34 21 o 48.80694 7.387337 128.3206       34.18941 130.4000       45.78630 125.7000       51.40167 47.37434 10.17744 45.47581 11.53261 1.898525       15.38120 
1 1 1 -2  34 22 o 35.14934 8.943359 70.37727       30.84001 54.37000       41.29251 90.57000       46.37780 30.98904 10.93384 38.51742 11.45742 -7.528378      15.83734 
1 1 1 -2  34 23 o 52.75270 6.728905 147.9068       33.95541 149.5000       46.00369 146.0000       50.32747 51.12207 9.544366 49.61402 10.67967 1.508045       14.32307 
1 1 1 -2  34 24 o 49.49833 7.148987 132.0938       33.63472 146.9000       45.29843 113.9000       50.21377 50.57802 9.498583 42.74897 11.67382 7.829048       15.04996 
1 1 1 -2  34 25 o 19.29552 8.424850 1.212029       30.06045 -2.526000      39.66151 6.258000       46.08083 21.20835 9.448915 23.63428 10.37216 -2.425920      14.03081 
1 1 1 -2  34 26 o 35.07818 9.305672 71.93584       32.47295 25.71000       43.95183 127.5000       48.18723 25.81732 10.67731 45.71067 10.91985 -19.89335      15.27247 
1 1 1 -2  34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  34 28 o 50.58010 7.348760 139.7912       35.31937 104.4000       47.88975 182.0000       52.29932 40.54437 11.52471 55.57312 9.981286 -15.02875      15.24615 
1 1 1 -2  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  34 30 o 30.11634 11.53863 52.96000       47.58891 0.000000       0.000000 52.96000       47.58891 ?        ?        30.11634 11.53863 ?              ?        
1 1 1 -2  34 31 o 36.47986 9.236881 79.13893       33.01027 82.88000       44.60708 74.61000       49.07994 35.88509 11.34426 33.92746 11.92456 1.957634       16.45866 
1 1 1 -2  34 32 o 28.57833 9.615417 48.46087       31.80235 78.22000       43.04420 12.69000       47.19210 34.78998 11.16037 23.99598 10.51466 10.79401       15.33337 
1 1 1 -2  34 33 o 33.89210 9.443727 70.18299       32.49176 68.90000       44.48592 71.65000       47.56948 32.51683 11.35839 32.91266 11.72347 -0.3958244     16.32338 
1 1 1 -2  34 34 o 25.56774 9.444934 36.47969       31.25323 23.54000       41.57676 53.29000       47.38888 24.37315 10.25460 29.54338 11.46252 -5.170221      15.38006 
1 1 1 -2  34 35 o 45.59200 7.833282 118.3883       33.69802 105.2000       45.07434 135.1000       50.73948 40.00054 11.11449 45.20582 11.45479 -5.205280      15.96070 
1 1 1 -2  34 36 o 30.93426 9.510918 58.85778       31.58856 42.35000       42.58640 79.05000       47.09974 27.41683 10.79899 34.17440 11.69930 -6.757576      15.92143 
1 1 1 -2  34 37 o 23.86845 9.166867 29.59592       30.08495 29.92000       40.34511 29.19000       45.15272 25.07277 10.28507 25.49735 10.70452 -0.4245815     14.84484 
1 1 1 -2  34 38 o 33.94951 11.19863 77.29000       43.17884 77.29000       43.17884 0.000000       0.000000 33.94951 11.19863 ?        ?        ?              ?        
1 1 1 -2  34 39 o 18.73840 8.315257 0.4693132      30.40642 18.74000       41.90817 -19.84000      44.18439 23.54030 10.11228 19.67035 9.203331 3.869953       13.67331 
1 1 1 -2  34 40 o 31.88765 11.57282 68.82000       46.60368 0.000000       0.000000 68.82000       46.60368 ?        ?        31.88765 11.57282 ?              ?        
1 1 1 -2  34 41 o 27.67046 9.508356 46.89941       31.11844 31.59000       41.76733 66.00000       46.65314 25.25040 10.42241 31.22742 11.53892 -5.977018      15.54906 
1 1 1 -2  34 42 o 21.34084 8.831256 17.80536       30.09221 -2.496000      39.95019 44.43000       45.75076 20.37486 9.244202 27.46738 11.06821 -7.092524      14.42084 
1 1 1 -2  34 43 o 40.85601 8.444029 99.98750       32.65160 80.27000       44.14651 123.8000       48.51465 33.81879 11.32838 42.22554 11.45134 -8.406754      16.10793 
1 1 1 -2  34 44 o 22.37551 8.968266 24.82941       29.86670 34.64000       39.60893 11.90000       45.47104 25.07612 10.22733 22.63206 10.09803 2.444061       14.37249 
1 1 1 -2  34 45 o 23.76987 9.156088 32.02909       30.07641 -0.8053000     39.13388 79.41000       47.00999 20.04680 9.116529 32.74837 11.65545 -12.70158      14.79732 
1 1 1 -2  35 1  o 79.56178 4.107126 315.8065       31.87691 271.4000       57.14591 335.8656       38.40755 71.66948 8.299212 81.76659 4.820204 -10.09711      9.597463 
1 1 1 -2  35 2  o 45.70633 4.924132 105.8294       21.68270 106.4000       48.08056 105.6837       24.29322 43.17401 11.26162 45.46151 5.575898 -2.287495      12.56642 
1 1 1 -2  35 3  f 77.64320 4.156344 300.9640       31.47281 287.6000       58.32191 306.4547       37.38324 73.84332 8.207393 78.04561 4.918545 -4.202293      9.568354 
1 1 1 -2  35 4  o 50.43000 5.146032 128.9999       25.04636 92.77000       48.44793 142.2146       29.25975 40.20246 11.64386 52.74820 5.760575 -12.54574      12.99091 
1 1 1 -2  35 5  o 107.5457 3.335262 573.0073       35.06744 562.4000       74.07693 576.0710       39.81084 104.1829 7.310474 107.6462 3.784186 -3.463280      8.231834 
1 1 1 -2  35 6  o 38.25007 5.378384 75.02754       19.58136 59.58000       45.67370 78.50625       21.67432 33.27884 11.51580 38.98294 5.861479 -5.704098      12.92171 
1 1 1 -2  35 7  o 38.13137 5.259849 74.44539       19.10951 110.6000       45.98896 66.90018       21.00910 44.18393 10.73985 35.80448 6.220246 8.379452       12.41112 
1 1 1 -2  35 8  o 22.39931 7.030966 25.81889       17.16376 21.53000       44.29351 26.57669       18.61843 26.33123 10.78617 22.80859 7.342164 3.522642       13.04794 
1 1 1 -2  35 9  o 27.86196 6.615596 41.27695       17.77147 143.7000       46.60928 23.85380       19.22369 51.02705 9.685984 22.00418 7.475500 29.02288       12.23525 
1 1 1 -2  35 10 o 89.22411 3.300030 394.8910       28.77116 398.7000       63.54799 393.9089       32.26772 87.27956 7.511460 88.95509 3.714050 -1.675529      8.379510 
1 1 1 -2  35 11 o 30.77206 6.008602 49.75750       17.44864 72.95000       45.26648 45.71011       18.90996 35.71593 11.44358 29.25920 6.741401 6.456728       13.28164 
1 1 1 -2  35 12 o 85.87181 3.638313 367.2425       30.51206 364.4000       61.46531 368.1720       35.14861 83.15340 7.636903 85.73474 4.201162 -2.581337      8.716194 
1 1 1 -2  35 13 o 43.32295 4.211231 94.69809       17.63295 160.4000       47.88317 84.39063       18.96573 53.80359 9.436016 40.67026 4.860262 13.13333       10.61417 
1 1 1 -2  35 14 f 37.39404 9.010790 78.20995       32.59023 61.96000       45.86641 94.78000       46.31595 33.19978 11.53728 40.07083 11.31471 -6.871048      16.15957 
1 1 1 -2  35 15 o 76.50919 4.350030 294.6726       32.44285 0.000000       0.000000 294.6726       32.44285 ?        ?        76.50919 4.350030 ?              ?        
1 1 1 -2  35 16 o 46.08800 3.648069 106.5217       16.32310 163.7000       47.32514 98.80094       17.39027 54.16054 9.259391 44.24805 4.060417 9.912487       10.11055 
1 1 1 -2  35 17 o 19.38582 5.821114 19.61361       11.92840 60.19000       42.76508 16.19039       12.42138 32.37355 11.14573 18.05044 6.008268 14.32311       12.66202 
1 1 1 -2  35 18 o 53.59999 3.157738 143.2454       16.49372 171.8000       47.36983 139.3059       17.59473 55.38862 9.049448 52.76973 3.424869 2.618896       9.675858 
1 1 1 -2  35 19 o 25.78075 9.360025 34.00920       30.48954 56.39000       40.55272 4.907000       46.24289 31.34057 10.85073 23.68391 10.39227 7.656656       15.02457 
1 1 1 -2  35 20 o 60.51814 6.055616 191.4537       35.39026 158.2000       46.38020 237.8000       54.75459 52.76360 9.321099 65.36577 8.779642 -12.60217      12.80488 
1 1 1 -2  35 21 o 26.47847 9.252343 37.78266       29.51987 56.00000       38.10535 10.44000       46.68355 31.04590 10.52508 24.31623 10.55944 6.729662       14.90902 
1 1 1 -2  35 22 o 21.29631 8.807271 13.46328       29.90313 11.07000       38.38105 17.16000       47.70116 22.73523 9.720012 25.27647 10.82198 -2.541243      14.54626 
1 1 1 -2  35 23 o 26.09760 9.347586 36.33987       30.28463 3.339000       38.44572 90.30000       49.16112 21.63187 9.484252 37.71386 11.90758 -16.08199      15.22306 
1 1 1 -2  35 24 o 50.61902 6.992014 138.2827       33.71931 131.1000       44.66639 147.8000       51.41524 47.09049 9.999682 49.24448 10.94993 -2.153988      14.82885 
1 1 1 -2  35 25 o 30.02535 9.472659 52.57443       31.11695 90.87000       42.30944 7.455000       45.92455 38.36160 10.80807 23.57654 10.35044 14.78506       14.96483 
1 1 1 -2  35 26 o 40.59999 11.18746 103.8000       45.87967 103.8000       45.87967 0.000000       0.000000 40.59999 11.18746 ?        ?        ?              ?        
1 1 1 -2  35 27 o 18.00718 8.118898 -6.994610      30.24872 7.302000       40.79695 -24.45000      45.07917 22.42972 9.803570 19.93232 9.316164 2.497396       13.52409 
1 1 1 -2  35 28 o 24.42789 10.54663 16.34000       46.03015 0.000000       0.000000 16.34000       46.03015 ?        ?        24.42789 10.54663 ?              ?        
1 1 1 -2  35 29 o 20.82275 9.595245 -14.22000      45.29785 0.000000       0.000000 -14.22000      45.29785 ?        ?        20.82275 9.595245 ?              ?        
1 1 1 -2  35 30 o 17.54238 8.020294 -10.83671      30.80972 -10.03000      40.69540 -11.92000      47.15862 20.13614 9.210485 21.31411 9.810322 -1.177977      13.45643 
1 1 1 -2  35 31 o 46.83073 9.995441 134.8000       44.42270 134.8000       44.42270 0.000000       0.000000 46.83073 9.995441 ?        ?        ?              ?        
1 1 1 -2  35 32 o 24.84441 9.208052 33.80130       29.74881 29.06000       38.80492 40.56000       46.33083 24.86459 10.12979 27.42338 11.10671 -2.558792      15.03235 
1 1 1 -2  35 33 o 53.42250 6.998524 157.7874       35.71711 100.9000       47.00599 235.5000       54.94024 38.61623 11.54633 62.99488 9.179790 -24.37865      14.75081 
1 1 1 -2  35 34 o 42.33268 8.169998 103.7265       32.62723 108.5000       44.39489 98.12000       48.11277 40.82154 10.90409 37.89040 11.75317 2.931145       16.03235 
1 1 1 -2  35 35 o 26.88372 9.387936 42.98797       30.38859 21.29000       40.51664 70.89000       45.94538 23.72208 10.05880 32.44040 11.52510 -8.718317      15.29730 
1 1 1 -2  35 36 o 29.67675 10.86894 56.05000       41.24205 56.05000       41.24205 0.000000       0.000000 29.67675 10.86894 ?        ?        ?              ?        
1 1 1 -2  35 37 o 22.69312 9.101707 23.75708       30.78374 30.08000       40.48422 15.09000       47.39835 25.00556 10.28502 23.83921 10.48879 1.166351       14.69001 
1 1 1 -2  35 38 f 27.76694 11.19141 44.69000       46.78629 0.000000       0.000000 44.69000       46.78629 ?        ?        27.76694 11.19141 ?              ?        
1 1 1 -2  35 39 o 16.67763 7.736887 -14.54588      30.18532 10.20000       40.79687 -44.48000      44.87026 22.07921 9.722095 17.77034 8.577200 4.308870       12.96486 
1 1 1 -2  35 40 o 16.47883 7.628689 -13.54597      29.11716 -33.99000      38.30906 14.42000       44.80569 16.98768 8.127676 23.21862 10.20744 -6.230938      13.04803 
1 1 1 -2  35 41 o 24.17428 9.240081 32.44545       30.46962 30.59000       40.93746 34.75000       45.62352 24.79225 10.28367 25.82881 10.79619 -1.036556      14.91011 
1 1 1 -2  35 42 o 18.40432 8.154011 2.165439       29.12362 2.008000       38.05505 2.388000       45.24614 20.31050 9.136343 21.62791 9.822641 -1.317411      13.41481 
1 1 1 -2  35 43 o 19.98032 8.533782 12.42849       29.53217 39.91000       38.91755 -24.88000      45.34497 25.77596 10.26875 18.98641 9.015922 6.789549       13.66507 
1 1 1 -2  35 44 o 15.17916 7.174826 -20.17469      28.08806 -20.60000      35.76321 -19.49000      45.37639 17.18157 8.113673 19.31066 9.125191 -2.129091      12.21068 
1 1 1 -2  36 1  o 71.03085 4.372968 253.4048       30.25652 220.4000       56.27866 266.8225       35.88351 63.44402 9.341825 72.57269 5.083595 -9.128662      10.63544 
1 1 1 -2  36 2  o 27.59183 8.179898 41.13406       23.67093 38.82000       45.62919 41.98613       27.68803 29.11956 11.26143 27.97135 8.948672 1.148211       14.38397 
1 1 1 -2  36 3  o 61.39140 3.947673 188.6331       23.59647 179.1000       52.65991 191.0282       26.39462 56.73543 9.838905 61.61562 4.405483 -4.880192      10.78018 
1 1 1 -2  36 4  f 57.40466 4.629415 166.4366       25.79189 135.3000       51.94921 176.6223       29.71256 48.26625 11.21089 58.90891 5.206456 -10.64265      12.36088 
1 1 1 -2  36 5  o 29.73524 7.526559 47.95499       21.92276 5.008000       45.91560 60.63637       24.95038 24.11438 10.47200 33.38458 7.779912 -9.270199      13.04568 
1 1 1 -2  36 6  o 32.88463 6.135296 56.93722       19.02231 78.48000       46.72010 52.65630       20.82675 36.68261 11.61154 31.31809 6.973094 5.364515       13.54444 
1 1 1 -2  36 7  o 81.83343 3.392039 333.0598       27.11160 380.1000       62.51950 322.1650       30.08786 84.80766 7.612269 80.30186 3.839008 4.505791       8.525528 
1 1 1 -2  36 8  o 65.37273 3.578410 213.2207       22.81043 239.0000       55.43810 207.9669       25.02711 66.27100 8.760685 64.41133 3.989136 1.859673       9.626152 
1 1 1 -2  36 9  f 18.29289 6.876605 13.79696       16.70878 30.85000       46.29541 11.24292       17.91638 27.66546 11.13887 17.92229 7.020900 9.743168       13.16691 
1 1 1 -2  36 10 o 61.36896 4.109971 189.3490       24.54612 180.0000       54.10567 191.7719       27.54370 56.23425 10.20533 61.55561 4.604761 -5.321365      11.19610 
1 1 1 -2  36 11 o 71.90427 3.862688 259.0190       27.08654 247.2000       56.75802 262.5045       30.82291 67.09366 8.858749 72.14909 4.385230 -5.055428      9.884720 
1 1 1 -2  36 12 o 45.56310 7.890581 113.0537       33.91675 77.77000       47.97828 148.3000       47.95279 36.01498 11.80079 50.90924 9.979923 -14.89426      15.45501 
1 1 1 -2  36 13 o 101.7756 4.745620 525.1552       47.14604 0.000000       0.000000 525.1552       47.14604 ?        ?        101.7756 4.745620 ?              ?        
1 1 1 -2  36 14 o 67.01337 5.225106 230.3670       34.00312 0.000000       0.000000 230.3670       34.00312 ?        ?        67.01337 5.225106 ?              ?        
1 1 1 -2  36 15 o 74.53136 3.246989 276.9413       23.63104 287.6000       55.97916 274.6300       26.06756 72.73032 7.994978 74.06100 3.606720 -1.330673      8.770867 
1 1 1 -2  36 16 o 51.07843 4.018245 131.7624       19.92835 150.5000       47.14346 127.6857       21.98963 51.10327 9.780839 50.06675 4.536240 1.036514       10.78157 
1 1 1 -2  36 17 o 78.10025 3.105866 303.7657       23.69596 281.1000       54.98550 308.9351       26.25952 71.80320 7.956834 78.61935 3.420516 -6.816147      8.660896 
1 1 1 -2  36 18 o 63.26633 3.012479 199.3645       18.60173 188.3000       47.68478 201.3505       20.20229 58.02490 8.660478 63.48656 3.261903 -5.461655      9.254398 
1 1 1 -2  36 19 o 50.96610 6.734324 138.9942       32.77422 138.5000       44.16465 139.6000       48.89498 48.87307 9.574691 48.18397 10.65070 0.6891022      14.32174 
1 1 1 -2  36 20 o 30.03864 9.335620 52.23307       30.33909 60.07000       40.25667 41.93000       46.15815 31.75340 10.81736 28.61771 11.25165 3.135698       15.60816 
1 1 1 -2  36 21 o 32.12588 9.344683 60.53867       31.14332 76.35000       40.50304 37.67000       48.71065 35.26960 10.75562 28.11477 11.38779 7.154833       15.66414 
1 1 1 -2  36 22 o 18.98713 8.347821 -0.2713846E-01 29.97241 -23.36000      37.83837 39.27000       49.10535 18.33803 8.559230 28.34749 11.45119 -10.00946      14.29651 
1 1 1 -2  36 23 o 37.17060 9.020343 80.64142       32.48229 71.06000       41.91323 95.05000       51.39808 33.84953 11.02583 38.10485 12.19249 -4.255322      16.43854 
1 1 1 -2  36 24 o 27.45295 10.66322 39.77000       41.04512 39.77000       41.04512 0.000000       0.000000 27.45295 10.66322 ?        ?        ?              ?        
1 1 1 -2  36 25 o 14.07365 6.838298 -43.15042      29.75874 -26.95000      39.12027 -65.40000      45.84581 18.21461 8.565825 17.05809 8.332428 1.156519       11.95001 
1 1 1 -2  36 26 o 28.67158 9.651585 48.49569       32.04189 79.41000       43.84192 13.05000       46.94524 35.11515 11.26318 24.09361 10.52390 11.02154       15.41466 
1 1 1 -2  36 27 o 50.27780 10.83053 157.7000       51.72522 0.000000       0.000000 157.7000       51.72522 ?        ?        50.27780 10.83053 ?              ?        
1 1 1 -2  36 28 o 20.75237 8.817043 11.06103       31.23582 -47.19000      42.54282 79.19000       46.00874 17.30237 8.351439 34.59723 11.56445 -17.29486      14.26474 
1 1 1 -2  36 29 o 16.52867 7.677460 -16.35089      29.86715 -8.867000      41.10646 -24.72000      43.46961 20.20982 9.248974 19.21188 9.033137 0.9979420      12.92831 
1 1 1 -2  36 30 o 31.82014 9.383730 62.15930       31.21832 56.02000       41.98594 69.75000       46.68588 29.86930 10.96209 32.38567 11.60524 -2.516375      15.96399 
1 1 1 -2  36 31 o 29.41315 11.37135 53.87000       46.51336 0.000000       0.000000 53.87000       46.51336 ?        ?        29.41315 11.37135 ?              ?        
1 1 1 -2  36 32 o 26.87927 10.98046 38.09000       45.74718 0.000000       0.000000 38.09000       45.74718 ?        ?        26.87927 10.98046 ?              ?        
1 1 1 -2  36 33 o 22.54913 9.749444 14.42000       39.44609 14.42000       39.44609 0.000000       0.000000 22.54913 9.749444 ?        ?        ?              ?        
1 1 1 -2  36 34 o 19.77992 8.488194 8.826699       29.47105 24.64000       39.47768 -11.08000      44.29350 24.03535 10.04436 20.48925 9.458284 3.546097       13.79668 
1 1 1 -2  36 35 o 39.38237 11.12245 104.1000       44.75091 104.1000       44.75091 0.000000       0.000000 39.38237 11.12245 ?        ?        ?              ?        
1 1 1 -2  36 36 o 23.97128 9.291592 30.25297       31.11547 36.69000       41.84274 22.29000       46.53878 26.11120 10.56236 24.52579 10.59688 1.585419       14.96186 
1 1 1 -2  36 37 o 25.32418 10.74325 29.24000       46.25538 0.000000       0.000000 29.24000       46.25538 ?        ?        25.32418 10.74325 ?              ?        
1 1 1 -2  36 38 o 26.25279 9.490814 41.27683       31.30400 54.42000       42.21447 25.22000       46.65962 29.03540 10.92700 24.75291 10.65213 4.282488       15.25999 
1 1 1 -2  36 39 o 14.73423 7.061124 -30.09864      29.17577 -44.90000      38.82634 -10.90000      44.21920 16.23633 7.870840 20.28380 9.393992 -4.047468      12.25550 
1 1 1 -2  36 40 o 21.45522 8.871947 19.16646       30.33907 14.19000       40.68531 25.40000       45.53495 22.31855 9.771716 24.40640 10.51320 -2.087852      14.35318 
1 1 1 -2  36 41 o 24.21512 9.221614 33.86529       30.27625 35.72000       39.24900 31.14000       47.57694 25.14784 10.20893 25.12602 10.78368 0.2181625E-01  14.84958 
1 1 1 -2  36 42 o 24.24883 9.109551 34.92717       29.31140 25.96000       38.10666 47.92000       45.86960 23.30114 9.811251 27.16222 11.03284 -3.861082      14.76429 
1 1 1 -2  37 1  f 20.32954 7.408666 18.98740       19.12686 45.25000       43.73270 12.77563       21.26891 29.60933 11.12630 19.21309 7.611634 10.39623       13.48078 
1 1 1 -2  37 2  o 20.66863 7.385323 20.30900       18.89258 -10.96000      44.05296 27.35616       20.91343 21.55831 9.751571 23.07442 7.797467 -1.516111      12.48574 
1 1 1 -2  37 3  o 44.35725 6.018420 102.8665       25.45738 106.5000       49.97473 101.5933       29.58348 41.83438 11.73224 43.50636 7.198395 -1.671974      13.76453 
1 1 1 -2  37 4  o 60.88614 3.887825 186.1545       23.04923 214.1000       54.59457 180.0930       25.42641 61.90748 9.296399 59.67846 4.383304 2.229027       10.27796 
1 1 1 -2  37 5  o 23.68007 7.869543 29.35222       21.31123 37.13000       46.75342 27.31237       23.94328 28.43962 11.27940 23.41138 8.319599 5.028233       14.01573 
1 1 1 -2  37 6  o 27.97774 7.499272 43.01601       20.95377 96.11000       46.94460 29.80639       23.41575 39.77010 11.44460 24.00569 8.248072 15.76440       14.10708 
1 1 1 -2  37 7  o 67.77398 3.612546 229.9357       23.87871 268.0000       56.77821 221.7565       26.31946 69.89320 8.472034 66.35458 4.071894 3.538620       9.399771 
1 1 1 -2  37 8  o 27.25413 6.796765 40.42597       18.06943 17.43000       45.74451 44.67741       19.66895 25.20904 10.68863 28.57563 7.070908 -3.366592      12.81580 
1 1 1 -2  37 9  o 19.90136 7.321019 18.08225       18.74442 49.72000       45.67395 11.67443       20.55518 30.26545 11.37105 18.66523 7.453918 11.60022       13.59638 
1 1 1 -2  37 10 o 32.78984 11.50592 63.44000       45.68151 63.44000       45.68151 0.000000       0.000000 32.78984 11.50592 ?        ?        ?              ?        
1 1 1 -2  37 11 o 27.86179 6.398674 41.95923       17.08198 100.0000       45.18358 32.28022       18.45141 40.53189 11.07584 24.37049 7.221217 16.16141       13.22196 
1 1 1 -2  37 12 o 62.28012 3.818865 195.1250       23.16844 0.000000       0.000000 195.1250       23.16844 ?        ?        62.28012 3.818865 ?              ?        
1 1 1 -2  37 13 o 17.57855 6.450803 13.78386       14.53883 30.55000       44.16916 11.74654       15.39684 26.71931 10.83614 17.17238 6.567238 9.546923       12.67086 
1 1 1 -2  37 14 o 18.61538 7.517947 11.04574       21.15951 38.95000       40.80198 0.7806330      24.74730 27.67901 10.66376 17.65887 7.678117 10.02014       13.14037 
1 1 1 -2  37 15 o 63.04531 3.297991 198.8094       20.28130 230.7000       50.69721 192.7333       22.12921 64.55889 8.208036 61.91436 3.667911 2.644535       8.990297 
1 1 1 -2  37 16 o 61.24906 3.919568 189.3727       23.37538 185.5000       49.86033 190.4637       26.46384 56.91816 9.268078 61.15877 4.451137 -4.240612      10.28153 
1 1 1 -2  37 17 o 39.92910 3.949889 80.96847       15.23558 61.92000       44.46506 83.50230       16.21727 32.05243 11.34272 40.47908 4.151765 -8.426659      12.07868 
1 1 1 -2  37 18 o 51.57199 3.296513 133.3086       16.55370 96.08000       45.93179 138.8659       17.74627 39.04099 11.34630 52.57475 3.467813 -13.53376      11.86441 
1 1 1 -2  37 19 o 43.32756 7.885486 104.7806       32.21088 94.16000       43.63342 117.5000       47.75061 38.85015 10.98634 43.35231 11.18025 -4.502167      15.67474 
1 1 1 -2  37 20 o 31.22679 9.319388 57.50596       30.64451 54.52000       40.91803 61.32000       46.24501 30.34552 10.86583 31.74544 11.52720 -1.399925      15.84117 
1 1 1 -2  37 21 o 43.38055 7.851773 105.5415       32.11318 58.36000       42.22090 170.3000       49.46412 31.00611 11.04471 53.63099 9.782894 -22.62488      14.75434 
1 1 1 -2  37 22 o 42.49049 8.078663 102.2460       32.37215 92.51000       43.68830 114.1000       48.20677 38.14582 11.05977 42.15724 11.40738 -4.011414      15.88857 
1 1 1 -2  37 23 o 21.41147 9.493927 2.421000       39.55960 2.421000       39.55960 0.000000       0.000000 21.41147 9.493927 ?        ?        ?              ?        
1 1 1 -2  37 24 o 19.44379 8.396073 5.522007       29.18095 -3.318000      39.79848 15.80000       42.91354 20.73622 9.334241 23.74320 10.21658 -3.006983      13.83859 
1 1 1 -2  37 25 o 27.04428 10.91477 37.61000       44.56741 0.000000       0.000000 37.61000       44.56741 ?        ?        27.04428 10.91477 ?              ?        
1 1 1 -2  37 26 o 34.94584 9.401411 74.52266       32.85776 66.20000       45.67425 83.45000       47.30439 31.91509 11.47367 35.19286 11.72534 -3.277767      16.40514 
1 1 1 -2  37 27 o 33.14787 9.451978 67.76066       32.16246 41.34000       43.57492 99.38000       47.66956 27.27203 10.86549 38.19871 11.67226 -10.92668      15.94680 
1 1 1 -2  37 28 f 45.40305 7.710613 117.3458       33.04293 105.2000       44.89640 131.7000       48.80777 39.86734 11.09817 44.76262 11.17481 -4.895279      15.74947 
1 1 1 -2  37 29 o 19.74247 8.496080 8.166460       29.68370 -12.74000      39.86210 34.19000       44.47368 19.41250 8.965305 26.08352 10.75939 -6.671021      14.00504 
1 1 1 -2  37 30 o 21.43164 8.805287 17.84648       29.63052 -12.17000      39.02211 58.72000       45.53569 19.29853 8.897524 30.21712 11.35362 -10.91859      14.42465 
1 1 1 -2  37 31 o 17.80618 7.985692 -3.015924      28.83062 -28.60000      37.76173 32.74000       44.64173 17.36783 8.241598 25.79897 10.72328 -8.431133      13.52452 
1 1 1 -2  37 32 o 18.12456 8.076453 -1.025015      28.99006 1.341000       37.78240 -4.412000      45.20511 20.48418 9.167620 21.29187 9.727100 -0.8076973     13.36644 
1 1 1 -2  37 33 o 15.57845 7.375715 -24.24056      29.91453 -21.93000      40.03900 -27.16000      45.00641 18.47722 8.681954 19.13018 9.054221 -0.6529598     12.54413 
1 1 1 -2  37 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  37 35 o 29.83494 11.05441 58.26000       42.86936 58.26000       42.86936 0.000000       0.000000 29.83494 11.05441 ?        ?        ?              ?        
1 1 1 -2  37 36 o 32.00697 11.77046 72.15000       48.44606 0.000000       0.000000 72.15000       48.44606 ?        ?        32.00697 11.77046 ?              ?        
1 1 1 -2  37 37 o 37.34918 9.032901 85.95794       32.65805 82.40000       43.38497 90.61000       49.60923 34.48947 11.21657 35.32198 12.00877 -0.8325119     16.43234 
1 1 1 -2  37 38 o 36.09424 9.188066 81.79890       32.54016 106.7000       43.28028 49.42000       49.35281 39.59768 10.84796 27.99697 11.41711 11.60071       15.74892 
1 1 1 -2  37 39 o 30.28220 9.384783 59.04069       30.68382 53.02000       40.08570 67.56000       47.68354 28.29823 10.64828 30.67792 11.59824 -2.379694      15.74500 
1 1 1 -2  37 40 o 27.60540 9.481199 49.32537       30.93979 96.69000       40.75187 -15.13000      47.53900 37.32492 10.63836 20.10451 9.450851 17.22041       14.23001 
1 1 1 -2  37 41 o 13.99842 6.738832 -29.44994      27.26469 -13.48000      34.34140 -56.68000      44.84260 17.50465 8.164907 16.56639 8.123305 0.9382610      11.51754 
1 1 1 -2  38 1  o 63.64065 3.757061 203.5425       23.29981 182.2000       47.98687 210.1263       26.65238 56.95070 8.899316 64.43223 4.249701 -7.481533      9.861936 
1 1 1 -2  38 2  o 29.17578 6.732017 46.37732       18.83454 33.50000       39.75007 50.10538       21.38783 26.67030 10.45479 30.12132 7.325643 -3.451021      12.76588 
1 1 1 -2  38 3  o 40.87188 4.943552 86.18489       19.37604 92.77000       43.45076 84.55038       21.64757 39.01171 10.93933 40.16520 5.663211 -1.153488      12.31831 
1 1 1 -2  38 4  o 50.87256 5.011875 133.1555       24.63310 160.6000       46.51029 122.4559       29.04056 53.05862 9.293956 48.09048 6.322340 4.968136       11.24053 
1 1 1 -2  38 5  o 36.79598 5.397069 70.78132       18.86104 66.22000       42.71197 71.88622       21.02168 33.18540 11.14312 36.80225 6.045339 -3.616852      12.67735 
1 1 1 -2  38 6  o 37.17646 6.182996 73.59647       21.70957 107.9000       45.90045 63.71143       24.63977 41.98658 11.02849 33.86942 7.617498 8.117157       13.40350 
1 1 1 -2  38 7  o 37.26916 6.088426 73.83436       21.44448 30.27000       43.95747 87.44061       24.56611 26.58017 10.79895 40.45606 6.417638 -13.87589      12.56199 
1 1 1 -2  38 8  o 43.78020 10.87689 116.9000       46.40359 116.9000       46.40359 0.000000       0.000000 43.78020 10.87689 ?        ?        ?              ?        
1 1 1 -2  38 9  o 67.22667 3.488077 226.5466       22.87421 297.2000       54.44080 211.3994       25.20721 73.91125 7.634783 64.69330 4.000266 9.217957       8.619284 
1 1 1 -2  38 10 o 51.31911 4.052179 133.4825       20.19007 196.9000       50.63468 121.4933       22.01598 58.78223 9.093564 48.66815 4.679136 10.11407       10.22679 
1 1 1 -2  38 11 o 43.50723 4.933694 97.79436       20.64018 0.000000       0.000000 97.79436       20.64018 ?        ?        43.50723 4.933694 ?              ?        
1 1 1 -2  38 12 o 50.68502 3.859258 129.8630       19.00257 144.1000       47.54481 127.1564       20.73031 49.17715 10.21156 49.97021 4.279428 -0.7930641     11.07201 
1 1 1 -2  38 13 f 16.21642 6.290142 9.914906       14.26757 70.62000       42.52753 2.215763       15.14533 33.78648 11.11239 14.46646 6.142682 19.32002       12.69715 
1 1 1 -2  38 14 o 21.78496 6.321437 25.64262       14.26728 46.42000       42.37771 22.98652       15.15180 28.91926 10.93381 20.81585 6.615417 8.103411       12.77935 
1 1 1 -2  38 15 o 16.83463 7.157297 3.985167       20.60648 11.96000       40.69381 1.235091       23.89681 23.10355 9.945174 17.37549 7.550061 5.728065       12.48639 
1 1 1 -2  38 16 o 24.85868 6.344241 33.79868       15.48650 54.72000       41.89137 30.48686       16.66723 30.37979 10.97958 23.56811 6.830573 6.811678       12.93089 
1 1 1 -2  38 17 o 41.12138 3.974317 86.07237       15.79779 88.56000       44.57019 85.71494       16.89466 37.26903 11.26576 40.91041 4.282373 -3.641376      12.05223 
1 1 1 -2  38 18 o 39.85147 3.619384 80.41986       13.96455 138.4000       44.90123 74.21122       14.69322 48.05042 9.877019 38.13032 3.996060 9.920097       10.65476 
1 1 1 -2  38 19 o 17.61564 7.988315 -8.482852      29.78697 -43.42000      40.11380 34.46000       44.47291 17.06420 8.204251 26.76405 10.86635 -9.699850      13.61570 
1 1 1 -2  38 20 o 35.08065 9.172407 73.55611       31.84572 56.32000       43.20018 94.07000       47.12917 30.36805 11.12368 37.78819 11.61705 -7.420145      16.08390 
1 1 1 -2  38 21 o 29.30418 10.99592 51.06000       42.68114 51.06000       42.68114 0.000000       0.000000 29.30418 10.99592 ?        ?        ?              ?        
1 1 1 -2  38 22 o 41.50611 10.79676 109.7000       44.27393 109.7000       44.27393 0.000000       0.000000 41.50611 10.79676 ?        ?        ?              ?        
1 1 1 -2  38 23 o 36.53290 8.847318 79.51841       31.29764 98.66000       42.91012 57.76000       45.74928 39.07551 10.83945 30.34982 11.38512 8.725693       15.71987 
1 1 1 -2  38 24 o 28.86277 11.21169 50.33000       45.37870 0.000000       0.000000 50.33000       45.37870 ?        ?        28.86277 11.21169 ?              ?        
1 1 1 -2  38 25 o 19.08406 8.274084 5.528808       28.56911 32.62000       38.49456 -27.69000      42.62627 25.31643 10.16966 18.68822 8.835043 6.628218       13.47145 
1 1 1 -2  38 26 o 25.27542 9.290675 36.27717       30.17759 61.46000       40.83620 5.978000       44.79282 30.76044 10.87146 22.38997 10.00400 8.370470       14.77392 
1 1 1 -2  38 27 o 24.30250 9.312289 31.63198       30.99890 66.94000       42.33378 -9.186000      45.51726 31.77583 11.08152 20.90644 9.628262 10.86939       14.68004 
1 1 1 -2  38 28 o 19.46647 8.427495 6.741614       29.55040 5.703000       39.14891 8.117000       45.05105 21.34027 9.454359 22.67484 10.08833 -1.334568      13.82604 
1 1 1 -2  38 29 o 23.89303 9.100024 30.71278       29.48529 52.48000       38.46502 -0.3013000     45.91388 28.83368 10.50656 21.79561 9.897247 7.038069       14.43410 
1 1 1 -2  38 30 o 23.72744 9.127239 29.77729       29.85837 51.68000       39.14333 -0.7010000     46.17471 28.67061 10.57385 21.79964 9.909381 6.870977       14.49145 
1 1 1 -2  38 31 o 19.92077 8.513986 10.29154       29.43032 1.928000       38.60276 21.90000       45.47898 20.63897 9.249515 24.25275 10.47721 -3.613779      13.97588 
1 1 1 -2  38 32 o 22.64720 9.812721 15.57000       40.13092 15.57000       40.13092 0.000000       0.000000 22.64720 9.812721 ?        ?        ?              ?        
1 1 1 -2  38 33 o 24.14667 9.355350 31.42641       31.53323 45.59000       42.62804 14.31000       46.86139 27.48772 10.81118 23.45523 10.36987 4.032490       14.98051 
1 1 1 -2  38 34 o 41.33959 11.80385 121.2000       50.12577 0.000000       0.000000 121.2000       50.12577 ?        ?        41.33959 11.80385 ?              ?        
1 1 1 -2  38 35 o 24.27656 9.437520 32.30253       32.17275 62.06000       43.94566 -2.069000      47.22995 30.27258 11.19675 21.63663 9.906461 8.635948       14.95009 
1 1 1 -2  38 36 o 27.47426 11.28552 46.24000       48.66048 0.000000       0.000000 46.24000       48.66048 ?        ?        27.47426 11.28552 ?              ?        
1 1 1 -2  38 37 o 32.36480 11.01410 73.84000       41.73272 73.84000       41.73272 0.000000       0.000000 32.36480 11.01410 ?        ?        ?              ?        
1 1 1 -2  38 38 o 31.70488 9.393040 65.54575       31.22107 88.38000       40.50731 32.13000       49.00220 35.48618 10.74284 25.17048 10.87457 10.31571       15.28610 
1 1 1 -2  38 39 o 19.63708 8.394289 12.28773       28.61817 -26.02000      35.94316 78.63000       47.30077 16.70055 7.957790 32.12109 11.65884 -15.42054      14.11577 
1 1 1 -2  39 1  o 26.88273 6.987923 39.96709       18.55502 16.35000       39.32215 46.73206       21.04539 23.54337 9.942713 28.92349 7.403228 -5.380121      12.39618 
1 1 1 -2  39 2  o 27.52330 6.807532 41.72678       18.23689 34.21000       39.46068 43.76830       20.56483 26.48537 10.40637 27.99492 7.395561 -1.509546      12.76663 
1 1 1 -2  39 3  o 28.42277 6.699897 44.35621       18.33328 58.61000       39.56091 40.45792       20.68894 31.29424 10.72194 26.89532 7.550922 4.398916       13.11398 
1 1 1 -2  39 4  o 34.63009 5.840564 63.81486       19.09413 44.98000       39.63032 69.50893       21.79004 28.49135 10.61487 35.88320 6.440501 -7.391853      12.41594 
1 1 1 -2  39 5  o 27.60163 7.981514 43.05229       22.78089 37.55000       40.14394 45.66587       27.66728 27.12490 10.54280 28.22388 8.935737 -1.098982      13.82020 
1 1 1 -2  39 6  o 26.67677 10.61413 34.30000       41.52792 34.30000       41.52792 0.000000       0.000000 26.67677 10.61413 ?        ?        ?              ?        
1 1 1 -2  39 7  o 15.36671 6.915654 -6.586162      21.83233 -37.82000      39.01716 7.651000       26.34236 17.30983 8.260054 19.22096 8.128624 -1.911127      11.58892 
1 1 1 -2  39 8  f 28.12245 6.491838 43.28563       17.50819 42.91000       42.65094 43.36176       19.20051 28.25020 10.89772 27.95014 7.026701 0.3000622      12.96668 
1 1 1 -2  39 9  o 22.79763 7.328496 28.12293       18.55358 0.000000       0.000000 28.12293       18.55358 ?        ?        22.79763 7.328496 ?              ?        
1 1 1 -2  39 10 o 63.10777 4.124888 202.1643       25.34045 0.000000       0.000000 202.1643       25.34045 ?        ?        63.10777 4.124888 ?              ?        
1 1 1 -2  39 11 o 45.15661 4.389870 104.4559       19.15887 81.09000       46.15272 109.3208       21.05909 35.55469 11.56924 46.03814 4.740916 -10.48345      12.50294 
1 1 1 -2  39 12 o 43.47173 4.309004 96.75591       18.09436 120.1000       46.65182 92.62231       19.63111 43.83804 10.91445 42.28990 4.828889 1.548138       11.93496 
1 1 1 -2  39 13 o 78.99612 3.274764 312.6186       25.26674 330.8000       57.67239 308.3000       28.10781 77.38463 7.716662 78.21055 3.681938 -0.8259201     8.550060 
1 1 1 -2  39 14 o 41.22084 4.327379 87.24800       17.20013 44.77000       43.08630 95.30067       18.75975 28.32497 10.94609 43.00775 4.523964 -14.68277      11.84412 
1 1 1 -2  39 15 o 55.27782 4.697668 157.4679       25.17735 157.9000       47.34518 157.2975       29.72951 51.41872 9.763908 54.65646 5.637797 -3.237743      11.27469 
1 1 1 -2  39 16 o 24.90292 6.452039 34.25916       15.85311 60.88000       41.39708 29.68421       17.16135 31.25177 10.95407 23.17008 6.987713 8.081684       12.99306 
1 1 1 -2  39 17 o 9.992579 4.708448 -11.82442      11.92357 -12.26000      39.62489 -11.78105      12.50306 19.64092 9.022787 10.31910 4.849586 9.321825       10.24349 
1 1 1 -2  39 18 o 30.13069 9.485150 54.81325       31.21516 48.47000       42.84399 61.99000       45.57198 28.76982 10.96656 31.30438 11.43157 -2.534559      15.84128 
1 1 1 -2  39 19 o 41.32471 8.336973 98.96929       32.55831 92.79000       44.19941 106.3000       48.14157 37.60444 11.18492 39.88585 11.62301 -2.281410      16.13062 
1 1 1 -2  39 20 o 36.88628 11.25003 90.31000       44.31042 90.31000       44.31042 0.000000       0.000000 36.88628 11.25003 ?        ?        ?              ?        
1 1 1 -2  39 21 o 24.73800 9.252124 33.56013       30.16579 15.89000       40.65733 55.20000       44.99314 23.02956 9.927265 29.64148 11.25257 -6.611923      15.00570 
1 1 1 -2  39 22 o 34.30610 11.70953 80.98000       47.17479 0.000000       0.000000 80.98000       47.17479 ?        ?        34.30610 11.70953 ?              ?        
1 1 1 -2  39 23 o 45.56160 11.25275 137.9000       49.88337 0.000000       0.000000 137.9000       49.88337 ?        ?        45.56160 11.25275 ?              ?        
1 1 1 -2  39 24 o 17.47650 7.886843 -4.851280      28.61984 14.18000       38.33355 -28.82000      43.01971 22.25773 9.617185 18.57954 8.810794 3.678186       13.04302 
1 1 1 -2  39 25 o 23.08701 9.053337 26.54376       29.81636 -12.98000      39.61515 78.19000       45.28470 19.27866 8.915506 33.77529 11.47356 -14.49663      14.53027 
1 1 1 -2  39 26 f 17.96820 7.992606 -0.6622758     28.26250 -19.78000      37.53083 24.38000       42.95433 18.09662 8.471909 24.35927 10.34412 -6.262655      13.37064 
1 1 1 -2  39 27 o 20.84902 8.662462 16.01561       29.11573 51.54000       38.53924 -31.22000      44.44005 28.55751 10.49885 18.64011 8.872563 9.917406       13.74585 
1 1 1 -2  39 28 o 49.45693 7.153342 137.6083       33.62454 182.4000       45.64089 84.44000       49.72584 55.42827 8.698400 34.30882 12.00701 21.11945       14.82668 
1 1 1 -2  39 29 o 31.22459 9.444186 61.46156       31.31570 94.47000       41.86475 19.53000       47.18528 37.51573 10.81131 24.10613 10.53961 13.40960       15.09860 
1 1 1 -2  39 30 o 24.20066 9.257955 32.20565       30.60452 40.57000       41.62156 22.36000       45.15694 26.54532 10.60478 24.18481 10.44392 2.360506       14.88411 
1 1 1 -2  39 31 o 28.17485 10.87207 50.01000       42.46001 50.01000       42.46001 0.000000       0.000000 28.17485 10.87207 ?        ?        ?              ?        
1 1 1 -2  39 32 o 28.82136 9.641994 52.84293       31.98245 52.63000       43.24535 53.10000       47.51566 28.50351 10.97919 28.62468 11.36513 -0.1211662     15.80218 
1 1 1 -2  39 33 o 27.45996 11.21634 45.61000       47.72684 0.000000       0.000000 45.61000       47.72684 ?        ?        27.45996 11.21634 ?              ?        
1 1 1 -2  39 34 o 33.96037 9.281781 73.29128       31.72811 61.14000       41.14337 91.12000       49.83666 29.96212 10.87378 34.93567 12.03185 -4.973545      16.21742 
1 1 1 -2  39 35 o 27.42953 9.421017 47.85590       30.54831 11.94000       39.54585 101.0000       48.10443 21.68229 9.558631 36.92988 11.79313 -15.24759      15.18042 
1 1 1 -2  39 36 o 34.27115 9.092811 75.12059       31.00170 82.49000       39.96083 63.98000       49.13292 34.21161 10.72667 29.66651 11.62514 4.545094       15.81788 
1 1 1 -2  39 37 o 21.34434 8.716674 21.88466       28.81770 3.131000       36.45417 53.13000       47.05404 19.76375 8.911695 27.68556 11.20023 -7.921806      14.31306 
1 1 1 -2  39 38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -2  40 1  o 17.41955 6.984752 10.23863       18.12416 18.36000       39.51659 8.075134       20.39588 23.67730 9.981566 17.57977 7.272294 6.097525       12.34981 
1 1 1 -2  40 2  o 49.93752 4.388344 127.6855       21.23240 143.4000       46.58035 123.5641       23.85473 48.78266 10.08834 48.76393 5.071702 0.1873016E-01  11.29145 
1 1 1 -2  40 3  o 64.32848 3.819937 209.2271       23.94450 273.3000       52.01297 191.9966       26.97259 70.34306 7.678675 61.21466 4.533719 9.128395       8.917212 
1 1 1 -2  40 4  o 21.98497 7.931718 24.57730       21.85010 38.53000       41.45060 19.20836       25.71263 27.18019 10.66969 21.30817 8.391682 5.872026       13.57433 
1 1 1 -2  40 5  o 33.22578 8.807238 64.89525       29.10214 26.45000       42.71180 98.21000       39.75986 25.33638 10.50631 40.03762 10.13710 -14.70124      14.59943 
1 1 1 -2  40 6  o 20.03572 8.356240 11.43873       27.24260 -18.59000      40.51956 36.21000       36.80190 19.31202 8.960712 26.27559 10.12638 -6.963577      13.52176 
1 1 1 -2  40 7  o 20.26027 7.072728 20.99065       17.24742 16.64000       41.17005 21.91673       18.99458 23.60041 10.07783 20.79201 7.407888 2.808401       12.50757 
1 1 1 -2  40 8  o 20.71705 7.780241 20.32035       21.37731 0.000000       0.000000 20.32035       21.37731 ?        ?        20.71705 7.780241 ?              ?        
1 1 1 -2  40 9  o 48.33690 4.206414 119.4756       19.70401 63.60000       45.52204 132.3577       21.85769 31.74940 11.44936 50.76963 4.443129 -19.02022      12.28125 
1 1 1 -2  40 10 f 28.24480 6.518930 44.06040       17.65722 47.24000       41.89808 43.37373       19.47072 28.59900 10.85822 27.77302 7.127257 0.8259792      12.98840 
1 1 1 -2  40 11 o 25.55754 6.638060 36.30851       16.75262 72.03000       41.31615 29.28003       18.32677 33.54892 10.94830 23.02501 7.270425 10.52390       13.14246 
1 1 1 -2  40 12 o 23.15280 6.642354 29.68282       15.83650 30.91000       41.20800 29.47017       17.15382 25.60882 10.43658 23.05332 6.993390 2.555504       12.56303 
1 1 1 -2  40 13 o 30.23360 5.587125 49.09080       15.92534 21.42000       42.01235 53.73396       17.20969 24.24364 10.25970 31.57081 5.782062 -7.327175      11.77682 
1 1 1 -2  40 14 o 11.54275 5.305479 -8.317239      13.72622 42.46000       41.15685 -14.67197      14.55982 27.52736 10.68172 10.93648 5.168295 16.59088       11.86636 
1 1 1 -2  40 15 o 17.23779 7.214752 7.077408       20.41517 45.97000       39.73684 -6.869506      23.79573 28.00810 10.58802 15.85116 7.168804 12.15693       12.78663 
1 1 1 -2  40 16 f 42.64927 4.710413 94.65755       19.33698 60.69000       42.92125 103.3077       21.65965 30.78023 11.11515 44.36699 5.078960 -13.58676      12.22057 
1 1 1 -2  40 17 o 25.13692 5.804739 34.61705       13.99402 99.77000       41.81533 26.39965       14.85032 39.26211 10.62442 21.84592 6.479642 17.41619       12.44444 
1 1 1 -2  40 18 f 33.26333 10.98549 73.64000       41.54671 73.64000       41.54671 0.000000       0.000000 33.26333 10.98549 ?        ?        ?              ?        
1 1 1 -2  40 19 f 34.67918 10.88678 80.01000       41.14994 80.01000       41.14994 0.000000       0.000000 34.67918 10.88678 ?        ?        ?              ?        
1 1 1 -2  40 20 f 35.23305 8.956157 75.77493       30.94889 85.69000       41.61160 63.50000       46.29944 35.78136 10.89986 30.83662 11.47629 4.944740       15.82758 
1 1 1 -2  40 21 o 26.39348 10.92679 36.75000       46.09447 0.000000       0.000000 36.75000       46.09447 ?        ?        26.39348 10.92679 ?              ?        
1 1 1 -2  40 22 o 19.68352 8.447228 9.000619       29.18986 -4.234000      37.73073 28.73000       46.06767 19.76546 8.974050 25.28482 10.72378 -5.519358      13.98331 
1 1 1 -2  40 23 o 30.43479 9.178680 57.30222       29.61018 69.08000       39.17674 41.61000       45.22084 32.32992 10.66715 27.09315 10.97290 5.236767       15.30335 
1 1 1 -2  40 24 o 31.29128 9.038733 60.65802       29.23016 30.02000       38.18862 104.0000       45.42113 24.53391 10.02858 38.92344 11.27453 -14.38952      15.08931 
1 1 1 -2  40 25 o 38.04787 8.363969 86.27250       30.29874 67.57000       40.11922 111.1000       46.22416 31.76727 10.79926 40.30210 11.27652 -8.534832      15.61358 
1 1 1 -2  40 26 o 30.19977 9.278715 57.21031       30.07134 59.44000       40.39928 54.44000       45.03141 29.97454 10.78893 28.96723 11.19147 1.007307       15.54510 
1 1 1 -2  40 27 o 27.52702 9.363765 46.82211       30.16295 42.95000       40.91859 51.43000       44.63732 26.87241 10.58516 28.44566 11.09983 -1.573250      15.33792 
1 1 1 -2  40 28 o 23.50420 9.197190 29.05318       30.71613 30.73000       41.63229 27.05000       45.50375 24.90126 10.35329 24.77259 10.58711 0.1286697      14.80802 
1 1 1 -2  40 29 o 25.59281 10.41666 35.83000       40.98785 35.83000       40.98785 0.000000       0.000000 25.59281 10.41666 ?        ?        ?              ?        
1 1 1 -2  40 30 o 24.69413 9.394270 35.06882       31.40021 15.16000       40.39641 65.46000       49.91072 22.39813 9.773216 30.49355 11.78192 -8.095423      15.30783 
1 1 1 -2  40 31 o 57.48692 6.658789 183.8273       36.77674 171.0000       49.31494 199.9000       55.20186 51.66508 10.11376 55.35758 10.57301 -3.692501      14.63136 
1 1 1 -2  40 32 o 16.21074 7.639747 -20.42917      31.41599 -32.54000      42.73027 -6.181000      46.34771 17.91814 8.575818 20.87475 9.650015 -2.956614      12.90998 
1 1 1 -2  40 33 o 27.97128 9.373452 50.21128       30.22423 30.91000       38.31430 82.01000       49.17820 24.21349 9.987147 32.95596 11.89817 -8.742466      15.53414 
1 1 1 -2  40 34 o 19.20791 8.293283 9.661868       28.46452 -8.613000      36.10846 39.66000       46.26248 18.45181 8.525578 25.88674 10.84949 -7.434923      13.79844 
1 1 1 -2  40 35 o 43.03851 7.889394 111.2325       32.01145 80.68000       40.79337 160.2000       51.64404 33.27343 10.88011 47.33771 11.30229 -14.06428      15.68817 
1 1 1 -2  40 36 f 26.95115 9.259665 47.75335       29.51156 53.88000       37.48170 37.76000       47.86995 27.82295 10.33131 25.30667 10.83814 2.516287       14.97335 
1 1 1 -2  41 1  o 74.02406 5.307244 286.4906       38.19941 0.000000       0.000000 286.4906       38.19941 ?        ?        74.02406 5.307244 ?              ?        
1 1 1 -2  41 2  o 17.08705 6.913814 9.531181       17.93349 28.78000       34.37967 2.335738       21.01979 24.37926 9.671256 16.49088 7.123461 7.888380       12.01153 
1 1 1 -2  41 3  o 43.15403 4.947067 97.25267       20.51925 97.90000       39.89819 97.01989       23.92591 39.52505 10.23325 42.55821 5.902190 -3.033154      11.81335 
1 1 1 -2  41 4  o 25.77349 7.772218 37.99532       21.23168 -0.1800000     38.47294 54.71294       25.45958 20.68360 9.254372 30.53650 8.301523 -9.852901      12.43216 
1 1 1 -2  41 5  o 27.02038 6.821866 40.94305       18.04257 10.08000       38.87677 49.41531       20.36903 22.08767 9.613430 29.57992 7.121049 -7.492252      11.96359 
1 1 1 -2  41 6  o 26.45298 8.059615 40.38564       22.74972 56.16000       42.61827 34.09967       26.90333 30.05891 11.04222 24.76967 8.817162 5.289242       14.13057 
1 1 1 -2  41 7  o 22.04245 7.434667 26.32368       19.01251 0.000000       0.000000 26.32368       19.01251 ?        ?        22.04245 7.434667 ?              ?        
1 1 1 -2  41 8  o 26.22717 7.255808 39.04948       19.25584 32.29000       36.80638 41.59676       22.59463 25.25667 10.01078 26.81822 8.001944 -1.561552      12.81588 
1 1 1 -2  41 9  o 44.03283 4.939405 101.3348       20.92254 119.8000       39.96585 94.36359       24.55641 44.50440 9.465836 41.74093 6.198227 2.763466       11.31460 
1 1 1 -2  41 10 o 20.58425 6.931304 22.63519       16.52531 18.26000       36.90830 23.73221       18.48130 22.82056 9.634839 21.13094 7.324653 1.689625       12.10292 
1 1 1 -2  41 11 f 14.15928 6.102798 1.159068       15.36133 -42.81000      37.63861 9.946614       16.82650 16.25083 7.846711 16.80963 6.733519 -0.5588074     10.33978 
1 1 1 -2  41 12 o 15.78107 6.381805 7.931105       15.27011 11.30000       37.01376 7.240116       16.76314 21.72817 9.419183 16.08567 6.617407 5.642502       11.51135 
1 1 1 -2  41 13 o 18.61966 6.580156 17.57537       14.96015 33.05000       36.38417 14.42691       16.41163 25.08117 9.949364 17.90737 6.796485 7.173803       12.04915 
1 1 1 -2  41 14 o 27.69227 5.864784 42.08707       15.40160 55.37000       37.49747 39.39140       16.89227 29.49061 10.41803 26.46215 6.555697 3.028458       12.30904 
1 1 1 -2  41 15 o 37.73733 6.037929 77.57509       21.55156 103.3000       38.96057 66.23295       25.86996 40.44721 9.918056 33.57523 7.988262 6.871979       12.73500 
1 1 1 -2  41 16 o 29.88025 5.256282 47.93658       14.81232 66.00000       37.14628 44.52133       16.15202 31.79496 10.38146 28.41488 5.996063 3.380081       11.98864 
1 1 1 -2  41 17 o 31.71323 5.214519 53.84628       15.62470 30.90000       37.72270 58.59820       17.16648 24.66664 10.01035 32.95000 5.517447 -8.283360      11.43019 
1 1 1 -2  41 18 o 32.97795 8.924354 66.84155       29.50299 68.61000       38.14928 64.21000       46.53679 32.22943 10.52051 30.80589 11.49765 1.423540       15.58452 
1 1 1 -2  41 19 o 28.10462 11.11002 48.32000       45.22168 0.000000       0.000000 48.32000       45.22168 ?        ?        28.10462 11.11002 ?              ?        
1 1 1 -2  41 20 o 18.19720 8.649896 -29.71000      41.94772 0.000000       0.000000 -29.71000      41.94772 ?        ?        18.19720 8.649896 ?              ?        
1 1 1 -2  41 21 o 52.02221 6.693640 150.1815       33.29552 174.1000       44.94853 121.1000       49.56290 53.87510 8.829125 41.53531 11.69638 12.33979       14.65465 
1 1 1 -2  41 22 o 20.47279 8.500318 15.45716       28.00876 -8.452000      36.77604 48.48000       43.22052 18.97193 8.706944 27.91055 10.91319 -8.938622      13.96097 
1 1 1 -2  41 23 o 31.23720 9.043437 60.84977       29.23021 47.26000       38.18642 80.08000       45.42501 27.52217 10.38495 33.66493 11.49033 -6.142757      15.48789 
1 1 1 -2  41 24 o 47.37893 6.960180 126.2068       31.31687 132.0000       41.22296 118.3000       48.15907 46.07935 9.456790 41.15685 11.50809 4.922504       14.89520 
1 1 1 -2  41 25 o 16.71250 7.599571 -6.592865      27.18673 0.2512000      34.99599 -17.01000      43.17530 19.54961 8.780446 19.44333 9.097281 0.1062813      12.64345 
1 1 1 -2  41 26 o 23.65299 8.896369 31.14528       27.97372 46.60000       36.51253 9.182000       43.52712 27.31471 10.18636 22.19521 9.892987 5.119497       14.19976 
1 1 1 -2  41 27 o 18.06830 7.966274 2.634983       27.47460 6.914000       35.60736 -3.661000      43.19162 20.46188 9.043221 20.64585 9.460555 -0.1839733     13.08747 
1 1 1 -2  41 28 o 20.53118 9.268612 1.706000       39.56688 1.706000       39.56688 0.000000       0.000000 20.53118 9.268612 ?        ?        ?              ?        
1 1 1 -2  41 29 o 15.62052 7.301169 -16.12511      27.69227 7.629000       35.19202 -54.75000      44.87540 20.44792 9.015677 16.89658 8.251420 3.551348       12.22164 
1 1 1 -2  41 30 o 26.27822 11.02348 40.12000       47.82421 0.000000       0.000000 40.12000       47.82421 ?        ?        26.27822 11.02348 ?              ?        
1 1 1 -2  41 31 o 15.28647 7.185989 -17.70882      27.48465 5.085000       34.33469 -58.37000      45.85794 19.76134 8.798670 16.75678 8.216273 3.004557       12.03843 
1 1 1 -2  41 32 o 23.11041 9.005494 30.17021       29.34935 -15.84000      36.92570 109.1000       48.36399 17.85098 8.371792 37.90178 11.78821 -20.05080      14.45852 
1 1 1 -2  41 33 o 37.50157 8.627814 88.55182       31.01127 47.54000       38.98683 159.2000       51.16982 26.62363 10.37792 47.11967 11.25031 -20.49604      15.30590 
1 1 1 -2  41 34 o 28.81564 9.251806 55.34587       29.57627 58.02000       37.77556 51.11000       47.54352 28.56620 10.41153 27.05077 11.13801 1.515434       15.24648 
1 1 1 -2  42 1  o 55.91360 4.160843 160.4359       22.60896 0.000000       0.000000 160.4359       22.60896 ?        ?        55.91360 4.160843 ?              ?        
1 1 1 -2  42 2  o 34.24657 8.205063 69.22707       27.14373 0.000000       0.000000 69.22707       27.14373 ?        ?        34.24657 8.205063 ?              ?        
1 1 1 -2  42 3  o 48.16118 6.235307 126.0957       28.70494 0.000000       0.000000 126.0957       28.70494 ?        ?        48.16118 6.235307 ?              ?        
1 1 1 -2  42 4  o 30.48804 6.263558 51.42830       18.06632 1.976000       34.09183 70.73873       21.30361 19.78054 8.789714 35.86788 6.297572 -16.08733      10.81289 
1 1 1 -2  42 5  o 25.88011 7.552594 38.78423       20.31406 0.000000       0.000000 38.78423       20.31406 ?        ?        25.88011 7.552594 ?              ?        
1 1 1 -2  42 6  o 21.90605 7.672325 26.13477       20.30573 0.000000       0.000000 26.13477       20.30573 ?        ?        21.90605 7.672325 ?              ?        
1 1 1 -2  42 7  o 27.58112 8.020372 44.96697       22.94467 64.56000       36.94333 32.66319       29.27552 31.49836 10.35702 24.28959 9.108361 7.208769       13.79239 
1 1 1 -2  42 8  o 39.16967 4.849058 80.67896       18.19479 74.49000       38.10199 82.50713       20.70846 33.66008 10.46217 39.21326 5.550156 -5.553181      11.84319 
1 1 1 -2  42 9  o 37.03175 5.636078 73.91014       19.78593 82.25000       36.26220 70.37463       23.61025 35.81931 9.975113 35.21589 7.094957 0.6034164      12.24097 
1 1 1 -2  42 10 o 19.03829 6.891080 18.24402       16.50959 -10.05000      33.34568 27.43189       19.00202 18.03820 8.283037 22.18841 7.432231 -4.150204      11.12865 
1 1 1 -2  42 11 o 17.10349 6.592524 12.54713       15.59954 9.367000       32.64977 13.48782       17.75747 20.41415 8.848041 17.88923 6.995052 2.524914       11.27912 
1 1 1 -2  42 12 o 11.36673 5.301275 -11.06980      14.46980 7.930000       31.80048 -16.03065      16.24940 20.00159 8.700179 11.47441 5.433635 8.527184       10.25756 
1 1 1 -2  42 13 o 37.39075 4.670960 73.37574       16.72342 104.1000       36.75124 65.35249       18.78047 40.94099 9.373405 34.68726 5.731320 6.253731       10.98675 
1 1 1 -2  42 14 o 20.69153 6.570126 23.62589       14.94782 -8.008000      34.51934 30.92663       16.58324 18.51797 8.475034 23.34170 6.827291 -4.823725      10.88293 
1 1 1 -2  42 15 o 28.41669 6.159781 44.87479       16.63827 35.26000       36.01092 47.48440       18.76083 25.25305 9.935354 28.93565 6.748386 -3.682602      12.01050 
1 1 1 -2  42 16 o 33.96993 5.235337 61.73204       16.84939 27.83000       38.33228 69.85112       18.75879 24.16916 9.981203 36.02547 5.493254 -11.85631      11.39299 
1 1 1 -2  42 17 o 16.59909 6.262508 12.39695       13.88559 33.01000       36.04697 8.805331       15.04675 24.73834 9.873696 15.84994 6.361166 8.888404       11.74539 
1 1 1 -2  42 18 o 22.56737 9.986944 12.05000       43.56590 0.000000       0.000000 12.05000       43.56590 ?        ?        22.56737 9.986944 ?              ?        
1 1 1 -2  42 19 o 22.56478 8.864216 25.79362       28.62693 31.80000       37.92582 17.84000       43.64267 24.67083 10.02796 23.29283 10.16106 1.378000       14.27610 
1 1 1 -2  42 20 o 25.78222 9.068826 40.10345       28.39102 44.86000       37.89838 34.02000       42.85975 26.96741 10.30575 25.40111 10.52804 1.566294       14.73255 
1 1 1 -2  42 21 o 29.24129 9.127491 53.62088       28.96721 39.07000       37.87766 74.12000       44.95790 25.88619 10.18804 32.40084 11.41079 -6.514656      15.29714 
1 1 1 -2  42 22 f 17.07361 7.683016 -3.277624      26.93810 8.072000       34.94477 -19.90000      42.29003 20.52886 9.020082 18.95716 8.912230 1.571709       12.68029 
1 1 1 -2  42 23 o 22.40385 8.748941 25.81051       27.74892 18.07000       35.73900 37.56000       44.03188 22.11260 9.414385 25.98040 10.71023 -3.867802      14.25972 
1 1 1 -2  42 24 f 38.60299 8.192969 89.24252       29.99868 88.71000       38.93997 90.02000       47.05072 36.30181 10.41607 35.09953 11.69385 1.202278       15.66016 
1 1 1 -2  42 25 f 34.00850 8.888138 72.32890       29.91110 79.37000       38.92004 62.17000       46.74942 34.03588 10.57307 29.82159 11.43371 4.214294       15.57303 
1 1 1 -2  42 26 o 30.68689 10.37675 63.61000       37.03762 63.61000       37.03762 0.000000       0.000000 30.68689 10.37675 ?        ?        ?              ?        
1 1 1 -2  42 27 o 35.86356 8.725525 79.83437       30.33412 114.8000       38.70605 24.17000       48.83675 42.38232 9.558710 24.34460 10.68103 18.03772       14.33365 
1 1 1 -2  42 28 o 15.43873 7.215805 -15.16799      27.04245 -13.94000      34.58476 -17.10000      43.38028 17.58716 8.200199 19.17912 9.019646 -1.591963      12.19005 
1 1 1 -2  42 29 o 24.51863 10.64006 29.25000       47.33249 0.000000       0.000000 29.25000       47.33249 ?        ?        24.51863 10.64006 ?              ?        
1 1 1 -2  42 30 o 33.77925 9.050993 73.90802       30.52916 38.96000       38.59866 132.3000       49.89276 25.18321 10.15977 42.07915 11.69401 -16.89595      15.49099 
1 1 1 -2  42 31 o 28.35910 9.268717 53.55236       29.60648 61.14000       37.90440 41.68000       47.41381 29.21846 10.45854 25.73898 10.89622 3.479481       15.10326 
1 1 1 -2  42 32 o 16.92869 7.987699 -17.51000      34.53083 -17.51000      34.53083 0.000000       0.000000 16.92869 7.987699 ?        ?        ?              ?        
1 1 1 -2  43 1  o 27.71100 7.953987 45.70071       22.70295 0.000000       0.000000 45.70071       22.70295 ?        ?        27.71100 7.953987 ?              ?        
1 1 1 -2  43 2  o 26.62975 7.869887 41.99504       21.93876 0.000000       0.000000 41.99504       21.93876 ?        ?        26.62975 7.869887 ?              ?        
1 1 1 -2  43 3  o 28.06266 7.145408 45.52222       19.67647 0.000000       0.000000 45.52222       19.67647 ?        ?        28.06266 7.145408 ?              ?        
1 1 1 -2  43 4  o 19.03583 7.827285 13.01639       23.43849 0.000000       0.000000 13.01639       23.43849 ?        ?        19.03583 7.827285 ?              ?        
1 1 1 -2  43 5  o 50.80261 4.909716 135.7180       24.11067 0.000000       0.000000 135.7180       24.11067 ?        ?        50.80261 4.909716 ?              ?        
1 1 1 -2  43 6  o 17.24382 6.770008 12.18614       16.68993 49.01000       31.93385 -1.652482      19.57641 27.96910 9.631325 15.07746 6.682364 12.89163       11.72247 
1 1 1 -2  43 7  o 27.17149 6.548770 41.77619       17.21134 47.31000       33.39407 39.77446       20.08443 27.54473 9.821401 26.09498 7.478431 1.449749       12.34451 
1 1 1 -2  43 8  o 22.64307 7.994544 28.60088       22.07855 7.944000       33.74223 44.06675       29.19636 20.37065 8.909390 26.85673 9.210661 -6.486073      12.81458 
1 1 1 -2  43 9  o 19.65192 6.895049 20.35053       16.40455 39.22000       34.57907 14.87035       18.63506 25.86709 9.854075 18.42620 7.177088 7.440886       12.19071 
1 1 1 -2  43 10 o 32.61284 6.447180 59.43690       19.85120 80.02000       36.76136 50.96417       23.58566 34.96870 10.14709 29.23270 8.007904 5.736002       12.92633 
1 1 1 -2  43 11 o 14.14517 6.124636 1.092115       15.61167 -34.20000      33.98970 10.52802       17.57520 15.75715 7.569685 17.02774 6.860565 -1.270591      10.21604 
1 1 1 -2  43 12 o 26.63547 6.332797 39.96178       16.26741 38.99000       35.89029 40.21303       18.24966 25.77591 9.982361 26.41714 6.961222 -0.6412277     12.16989 
1 1 1 -2  43 13 f 20.64797 6.757361 23.59319       15.73387 67.59000       36.00595 13.20908       17.49236 31.92674 10.20370 17.67945 6.933890 14.24729       12.33671 
1 1 1 -2  43 14 o 37.10666 5.194884 73.60101       18.35209 70.14000       39.14284 74.57616       20.77725 32.15539 10.66460 36.88835 5.957225 -4.732956      12.21565 
1 1 1 -2  43 15 o 15.99936 6.365556 9.558204       14.93573 74.79000       36.92289 -3.203909      16.33154 33.48845 10.28017 13.53738 6.045168 19.95108       11.92585 
1 1 1 -2  43 16 o 16.46592 6.529715 10.51715       15.66675 0.000000       0.000000 10.51715       15.66675 ?        ?        16.46592 6.529715 ?              ?        
1 1 1 -2  43 17 o 24.75363 8.439561 36.36641       24.50469 0.000000       0.000000 36.36641       24.50469 ?        ?        24.75363 8.439561 ?              ?        
1 1 1 -2  43 18 o 19.26146 8.300352 8.766506       28.40588 6.993000       37.00700 11.31000       44.31829 20.72934 9.187462 22.46344 9.999400 -1.734098      13.57930 
1 1 1 -2  43 19 f 17.01296 7.706626 -4.874725      27.63238 -8.401000      35.33120 0.6797000      44.34247 18.51651 8.511264 21.28036 9.687923 -2.763845      12.89564 
1 1 1 -2  43 20 o 24.71937 9.049981 36.07554       28.58902 60.51000       37.11724 0.4357000      44.82726 30.06771 10.38234 21.31755 9.718718 8.750162       14.22134 
1 1 1 -2  43 21 o 21.40318 8.609245 21.63915       27.62723 24.60000       35.15866 16.86000       44.66835 22.93258 9.522822 23.04780 10.15981 -0.1152267     13.92501 
1 1 1 -2  43 22 o 23.28047 8.863675 30.37880       27.96755 29.78000       35.48990 31.36000       45.42982 23.81584 9.693085 24.95013 10.61809 -1.134287      14.37706 
1 1 1 -2  43 23 o 27.44008 9.103242 47.49875       28.51989 60.00000       36.22976 27.13000       46.24567 29.86279 10.25965 24.46089 10.56613 5.401892       14.72764 
1 1 1 -2  43 24 o 16.97213 7.667184 -3.541304      27.12979 -30.90000      33.85085 45.59000       45.36293 15.85164 7.599069 26.94197 10.96122 -11.09034      13.33770 
1 1 1 -2  43 25 o 21.99167 9.341169 20.03000       35.04427 20.03000       35.04427 0.000000       0.000000 21.99167 9.341169 ?        ?        ?              ?        
1 1 1 -2  43 26 o 14.47956 6.886306 -22.46711      26.65524 -34.00000      33.58846 -2.849000      43.80760 15.43041 7.441115 20.46818 9.433383 -5.037770      12.01495 
1 1 1 -2  43 27 o 25.88100 10.84699 41.56000       46.24063 0.000000       0.000000 41.56000       46.24063 ?        ?        25.88100 10.84699 ?              ?        
1 1 1 -2  43 28 o 22.06688 8.742875 26.66846       28.06264 39.84000       35.66741 5.266000       45.46584 25.07326 9.880739 21.28252 9.735047 3.790737       13.87084 
1 1 1 -2  43 29 o 18.90893 8.169240 10.27765       27.65304 3.215000       35.34062 21.43000       44.40928 19.38106 8.753561 22.87200 10.10424 -3.490944      13.36864 
1 1 1 -2  44 1  o 32.90939 7.358339 63.02863       23.10748 0.000000       0.000000 63.02863       23.10748 ?        ?        32.90939 7.358339 ?              ?        
1 1 1 -2  44 2  o 41.63055 5.267774 92.70789       20.98592 0.000000       0.000000 92.70789       20.98592 ?        ?        41.63055 5.267774 ?              ?        
1 1 1 -2  44 3  o 38.84811 6.213217 83.45277       22.83038 0.000000       0.000000 83.45277       22.83038 ?        ?        38.84811 6.213217 ?              ?        
1 1 1 -2  44 4  o 22.58588 7.388652 29.17649       18.81184 0.000000       0.000000 29.17649       18.81184 ?        ?        22.58588 7.388652 ?              ?        
1 1 1 -2  44 5  o 44.59967 4.915596 105.1581       21.10373 0.000000       0.000000 105.1581       21.10373 ?        ?        44.59967 4.915596 ?              ?        
1 1 1 -2  44 6  o 13.40527 6.073080 -5.757064      17.16546 0.000000       0.000000 -5.757064      17.16546 ?        ?        13.40527 6.073080 ?              ?        
1 1 1 -2  44 7  o 38.40947 5.839584 80.55540       21.26414 0.000000       0.000000 80.55540       21.26414 ?        ?        38.40947 5.839584 ?              ?        
1 1 1 -2  44 8  f 21.07224 8.646202 18.83005       28.52116 0.000000       0.000000 18.83005       28.52116 ?        ?        21.07224 8.646202 ?              ?        
1 1 1 -2  44 9  o 12.90634 5.853823 -5.819583      16.00432 69.88000       32.80641 -29.46186      18.33397 32.86044 9.600245 10.82270 5.282840 22.03774       10.95779 
1 1 1 -2  44 10 o 34.55266 6.196469 66.36035       20.18722 73.97000       36.43701 62.99006       24.24902 33.23645 10.21405 32.60192 7.719010 0.6345329      12.80274 
1 1 1 -2  44 11 o 21.40855 6.908433 25.82527       16.47701 -0.2933000     35.85374 32.81835       18.55214 19.54955 8.824457 23.76740 7.285333 -4.217857      11.44321 
1 1 1 -2  44 12 o 29.84747 6.551971 50.54808       18.61596 73.23000       38.81041 43.76999       21.21593 32.70014 10.60682 27.13517 7.656437 5.564972       13.08150 
1 1 1 -2  44 13 o 21.30820 7.102520 25.46446       17.35667 20.31000       36.61996 26.95787       19.71134 22.49241 9.551167 21.89109 7.565660 0.6013260      12.18458 
1 1 1 -2  44 14 o 28.77455 6.000677 46.11063       16.35305 36.84000       38.30694 48.17661       18.08364 25.34285 10.15702 29.13775 6.505299 -3.794903      12.06167 
1 1 1 -2  44 15 o 21.35130 7.085909 25.63198       17.27971 0.000000       0.000000 25.63198       17.27971 ?        ?        21.35130 7.085909 ?              ?        
1 1 1 -2  44 16 o 18.74355 6.677310 18.28861       15.43237 -40.93000      36.22409 31.41993       17.05778 15.72190 7.616966 23.34174 6.949825 -7.619844      10.31107 
1 1 1 -2  44 17 f 27.94498 9.203513 49.71296       29.16811 64.65000       37.63327 27.24000       46.16042 30.73663 10.45917 24.43990 10.55672 6.296726       14.86064 
1 1 1 -2  44 18 o 17.85966 7.922945 1.829559       27.58444 15.36000       35.43840 -18.97000      43.93849 21.44232 9.255798 19.17951 9.037662 2.262802       12.93635 
1 1 1 -2  44 19 o 21.75270 8.718849 23.37605       28.22926 15.97000       36.38850 34.57000       44.73658 21.66028 9.364552 25.23609 10.62852 -3.575811      14.16546 
1 1 1 -2  44 20 o 41.97124 7.793791 104.0969       30.84047 150.6000       40.73191 41.62000       47.21210 49.66364 8.695616 26.39573 11.00402 23.26791       14.02505 
1 1 1 -2  44 21 o 35.03974 8.641581 76.61841       29.45041 73.23000       37.78897 81.86000       47.00012 32.45189 10.46133 32.95468 11.66162 -0.5027962     15.66629 
1 1 1 -2  44 22 o 27.73870 9.070614 49.52930       28.35271 66.86000       36.46119 23.02000       45.09433 31.04523 10.29268 23.52194 10.29336 7.523287       14.55653 
1 1 1 -2  44 23 o 19.20684 8.637140 2.479000       33.97977 2.479000       33.97977 0.000000       0.000000 19.20684 8.637140 ?        ?        ?              ?        
1 1 1 -2  44 24 o 18.72219 8.138840 8.454731       27.79481 26.59000       34.73107 -23.85000      46.35422 22.75889 9.458910 18.94267 9.029219 3.816217       13.07661 
1 1 1 -2  44 25 o 29.95131 9.275651 60.03953       29.98044 28.52000       38.48424 108.7000       47.81687 23.28094 9.834266 37.28168 11.74001 -14.00074      15.31472 
1 1 1 -2  44 26 o 21.80509 9.923073 10.59000       46.46614 0.000000       0.000000 10.59000       46.46614 ?        ?        21.80509 9.923073 ?              ?        
1 1 1 -2  44 27 o 17.99350 7.948780 5.502187       27.48096 -18.85000      34.14687 50.27000       46.29828 16.63610 7.877577 26.54417 10.96642 -9.908064      13.50254 
1 1 1 -2  45 1  o 29.13492 7.732360 50.74445       22.41465 0.000000       0.000000 50.74445       22.41465 ?        ?        29.13492 7.732360 ?              ?        
1 1 1 -2  45 2  o 25.80003 7.939180 39.94250       22.00504 0.000000       0.000000 39.94250       22.00504 ?        ?        25.80003 7.939180 ?              ?        
1 1 1 -2  45 3  o 29.14374 7.037989 49.31070       19.84856 0.000000       0.000000 49.31070       19.84856 ?        ?        29.14374 7.037989 ?              ?        
1 1 1 -2  45 4  o 22.12734 7.493081 27.89831       19.31293 0.000000       0.000000 27.89831       19.31293 ?        ?        22.12734 7.493081 ?              ?        
1 1 1 -2  45 5  o 21.81730 7.376371 26.98672       18.71566 0.000000       0.000000 26.98672       18.71566 ?        ?        21.81730 7.376371 ?              ?        
1 1 1 -2  45 6  o 36.90946 5.506814 73.90706       19.28723 0.000000       0.000000 73.90706       19.28723 ?        ?        36.90946 5.506814 ?              ?        
1 1 1 -2  45 7  f 21.70847 7.199935 26.74849       17.84103 0.000000       0.000000 26.74849       17.84103 ?        ?        21.70847 7.199935 ?              ?        
1 1 1 -2  45 8  o 24.73659 7.035186 35.61319       17.84085 0.000000       0.000000 35.61319       17.84085 ?        ?        24.73659 7.035186 ?              ?        
1 1 1 -2  45 9  o 23.90885 8.316383 33.72428       23.83458 0.000000       0.000000 33.72428       23.83458 ?        ?        23.90885 8.316383 ?              ?        
1 1 1 -2  45 10 o 18.85466 7.269595 16.79181       18.97221 0.000000       0.000000 16.79181       18.97221 ?        ?        18.85466 7.269595 ?              ?        
1 1 1 -2  45 11 o 38.69870 8.185393 90.34000       30.03596 0.000000       0.000000 90.34000       30.03596 ?        ?        38.69870 8.185393 ?              ?        
1 1 1 -2  45 12 o 33.35462 5.603474 60.93176       17.64642 45.31000       35.35506 66.11462       20.36440 26.62616 10.00427 34.31853 6.294168 -7.692373      11.81956 
1 1 1 -2  45 13 o 19.92672 7.273339 21.08851       18.44504 0.000000       0.000000 21.08851       18.44504 ?        ?        19.92672 7.273339 ?              ?        
1 1 1 -2  45 14 o 17.79383 6.912620 14.30761       17.25150 0.000000       0.000000 14.30761       17.25150 ?        ?        17.79383 6.912620 ?              ?        
1 1 1 -2  45 15 o 23.42095 6.643891 31.62396       15.93198 17.39000       35.56665 35.19706       17.81980 21.69367 9.317366 24.51729 7.049846 -2.823627      11.68390 
1 1 1 -2  45 16 o 21.84033 6.634220 27.28349       15.43006 -6.830000      34.65167 35.72058       17.23286 18.35975 8.435470 24.76714 6.868761 -6.407381      10.87828 
1 1 1 -2  45 17 o 23.86387 8.906990 33.78656       27.92848 4.826000       35.48035 80.96000       45.28280 19.87209 8.889520 32.87549 11.46126 -13.00340      14.50462 
1 1 1 -2  45 18 o 21.82821 8.649921 25.01406       27.47387 25.71000       34.84215 23.87000       44.67265 22.75387 9.466849 23.51597 10.26891 -0.7620945     13.96681 
1 1 1 -2  45 19 o 32.28124 8.931590 67.22559       29.17588 62.03000       37.21671 75.51000       46.99500 29.70819 10.38821 31.36933 11.58295 -1.661140      15.55891 
1 1 1 -2  45 20 o 26.77198 9.057820 46.55532       28.22083 35.35000       36.09770 64.17000       45.25896 24.35002 9.824588 29.33690 11.24944 -4.986879      14.93561 
1 1 1 -2  45 21 o 19.40244 8.306824 12.63219       28.10379 58.47000       35.90501 -59.87000      45.15634 28.79611 10.19240 16.28122 8.016792 12.51488       12.96742 
1 1 1 -2  45 22 o 26.72734 10.16801 49.47000       36.78619 49.47000       36.78619 0.000000       0.000000 26.72734 10.16801 ?        ?        ?              ?        
1 1 1 -2  45 23 o 30.38358 9.017306 61.50280       28.75307 74.39000       37.37258 42.81000       45.01020 31.88878 10.41310 25.51657 10.69847 6.372211       14.92950 
1 1 1 -2  45 24 o 28.94142 11.22895 65.97000       45.47727 0.000000       0.000000 65.97000       45.47727 ?        ?        28.94142 11.22895 ?              ?        
1 1 1 -2  46 1  o 36.86450 6.982018 78.39657       24.27178 0.000000       0.000000 78.39657       24.27178 ?        ?        36.86450 6.982018 ?              ?        
1 1 1 -2  46 2  o 15.43333 6.851660 -0.7834576     20.66746 0.000000       0.000000 -0.7834576     20.66746 ?        ?        15.43333 6.851660 ?              ?        
1 1 1 -2  46 3  o 19.47835 7.410567 19.07942       19.54016 0.000000       0.000000 19.07942       19.54016 ?        ?        19.47835 7.410567 ?              ?        
1 1 1 -2  46 4  o 41.07735 5.202003 90.79052       20.44772 0.000000       0.000000 90.79052       20.44772 ?        ?        41.07735 5.202003 ?              ?        
1 1 1 -2  46 5  o 29.89874 6.712543 51.54965       19.16218 0.000000       0.000000 51.54965       19.16218 ?        ?        29.89874 6.712543 ?              ?        
1 1 1 -2  46 6  o 41.59898 5.168210 92.99827       20.59160 0.000000       0.000000 92.99827       20.59160 ?        ?        41.59898 5.168210 ?              ?        
1 1 1 -2  46 7  o 28.96500 6.652922 48.35647       18.46439 0.000000       0.000000 48.35647       18.46439 ?        ?        28.96500 6.652922 ?              ?        
1 1 1 -2  46 8  o 19.12088 7.049488 18.94853       17.39581 0.000000       0.000000 18.94853       17.39581 ?        ?        19.12088 7.049488 ?              ?        
1 1 1 -2  46 9  o 15.38903 7.017935 -6.566636      23.39631 0.000000       0.000000 -6.566636      23.39631 ?        ?        15.38903 7.017935 ?              ?        
1 1 1 -2  46 10 o 12.22258 5.760472 -14.90635      17.86463 0.000000       0.000000 -14.90635      17.86463 ?        ?        12.22258 5.760472 ?              ?        
1 1 1 -2  46 11 o 13.95551 6.372431 -6.940519      19.37082 0.000000       0.000000 -6.940519      19.37082 ?        ?        13.95551 6.372431 ?              ?        
1 1 1 -2  46 12 o 27.32491 7.344285 44.66410       20.06312 0.000000       0.000000 44.66410       20.06312 ?        ?        27.32491 7.344285 ?              ?        
1 1 1 -2  46 13 o 17.11555 6.710655 12.86791       16.37987 0.000000       0.000000 12.86791       16.37987 ?        ?        17.11555 6.710655 ?              ?        
1 1 1 -2  46 14 o 13.81329 6.283830 -5.790257      18.61179 0.000000       0.000000 -5.790257      18.61179 ?        ?        13.81329 6.283830 ?              ?        
1 1 1 -2  46 15 o 31.29063 6.408956 56.10586       18.96855 0.000000       0.000000 56.10586       18.96855 ?        ?        31.29063 6.408956 ?              ?        
1 1 1 -2  46 16 o 32.70438 8.574599 68.28242       27.77997 68.63000       34.67982 67.66000       46.40755 31.30975 10.01482 29.69298 11.38994 1.616772       15.16666 
1 1 1 -2  46 17 o 26.00679 8.947478 44.08024       27.55806 56.04000       34.66471 23.54000       45.42857 28.26896 10.01396 23.15068 10.22379 5.118271       14.31102 
1 1 1 -2  46 18 o 36.42170 8.221744 83.12724       28.61390 77.68000       36.08065 92.36000       46.97336 32.93874 10.17137 33.80662 11.67945 -0.8678780     15.48762 
1 1 1 -2  46 19 o 31.86984 8.874213 67.20967       28.70158 57.60000       36.42841 82.94000       46.60740 28.19016 10.23162 31.88349 11.57300 -3.693335      15.44734 
1 1 1 -2  46 20 o 13.39397 6.624460 -53.80000      32.03968 -53.80000      32.03968 0.000000       0.000000 13.39397 6.624460 ?        ?        ?              ?        
1 1 1 -2  47 1  o 17.86884 7.562887 9.769403       22.83358 0.000000       0.000000 9.769403       22.83358 ?        ?        17.86884 7.562887 ?              ?        
1 1 1 -2  47 2  o 11.38489 5.467804 -20.76070      17.70742 0.000000       0.000000 -20.76070      17.70742 ?        ?        11.38489 5.467804 ?              ?        
1 1 1 -2  47 3  o 21.70939 7.791614 27.16739       21.05317 0.000000       0.000000 27.16739       21.05317 ?        ?        21.70939 7.791614 ?              ?        
1 1 1 -2  47 4  o 24.87791 7.271631 37.09663       18.81769 0.000000       0.000000 37.09663       18.81769 ?        ?        24.87791 7.271631 ?              ?        
1 1 1 -2  47 5  o 24.99058 7.186304 37.33802       18.51588 0.000000       0.000000 37.33802       18.51588 ?        ?        24.99058 7.186304 ?              ?        
1 1 1 -2  47 6  o 21.49677 7.256104 26.85525       18.11020 0.000000       0.000000 26.85525       18.11020 ?        ?        21.49677 7.256104 ?              ?        
1 1 1 -2  47 7  o 15.45412 6.606049 4.777120       17.72312 0.000000       0.000000 4.777120       17.72312 ?        ?        15.45412 6.606049 ?              ?        
1 1 1 -2  47 8  o 39.67987 5.812135 87.42912       21.90502 0.000000       0.000000 87.42912       21.90502 ?        ?        39.67987 5.812135 ?              ?        
1 1 1 -2  47 9  o 14.78698 6.463859 1.635606       17.74011 0.000000       0.000000 1.635606       17.74011 ?        ?        14.78698 6.463859 ?              ?        
1 1 1 -2  47 10 o 20.65895 8.567720 19.75703       28.40862 0.000000       0.000000 19.75703       28.40862 ?        ?        20.65895 8.567720 ?              ?        
1 1 1 -2  47 11 o 21.48823 8.122847 26.37636       23.38658 0.000000       0.000000 26.37636       23.38658 ?        ?        21.48823 8.122847 ?              ?        
1 1 1 -2  47 12 f 25.96525 6.991777 40.43015       18.16292 0.000000       0.000000 40.43015       18.16292 ?        ?        25.96525 6.991777 ?              ?        
1 1 1 -2  47 13 o 32.87377 5.884967 60.99379       18.24113 0.000000       0.000000 60.99379       18.24113 ?        ?        32.87377 5.884967 ?              ?        
1 1 1 -2  47 14 o 20.90514 8.747875 21.11942       30.00400 0.000000       0.000000 21.11942       30.00400 ?        ?        20.90514 8.747875 ?              ?        
1 1 1 -2  47 15 o 24.90182 9.282509 41.01295       30.31391 0.000000       0.000000 41.01295       30.31391 ?        ?        24.90182 9.282509 ?              ?        
1 1 1 -2  47 16 o 14.09884 6.796109 -27.87507      27.94697 0.000000       0.000000 -27.87507      27.94697 ?        ?        14.09884 6.796109 ?              ?        
1 1 1 -2  48 1  o 27.62286 7.062377 46.07080       19.16700 0.000000       0.000000 46.07080       19.16700 ?        ?        27.62286 7.062377 ?              ?        
1 1 1 -2  48 2  o 21.75095 8.121017 28.01046       23.22079 0.000000       0.000000 28.01046       23.22079 ?        ?        21.75095 8.121017 ?              ?        
1 1 1 -2  48 3  o 18.58670 7.140691 17.73716       18.25934 0.000000       0.000000 17.73716       18.25934 ?        ?        18.58670 7.140691 ?              ?        
1 1 1 -2  48 4  o 22.50788 7.723276 30.97565       20.52890 0.000000       0.000000 30.97565       20.52890 ?        ?        22.50788 7.723276 ?              ?        
1 1 1 -2  48 5  o 23.22277 7.243927 32.86939       18.24863 0.000000       0.000000 32.86939       18.24863 ?        ?        23.22277 7.243927 ?              ?        
1 1 1 -2  48 6  o 17.70808 6.933081 15.09766       17.46275 0.000000       0.000000 15.09766       17.46275 ?        ?        17.70808 6.933081 ?              ?        
1 1 1 -2  48 7  o 15.95827 6.826490 6.242051       18.95051 0.000000       0.000000 6.242051       18.95051 ?        ?        15.95827 6.826490 ?              ?        
1 1 1 -2  48 8  o 15.87200 6.627860 8.040011       17.16972 0.000000       0.000000 8.040011       17.16972 ?        ?        15.87200 6.627860 ?              ?        
1 1 1 -2  48 9  o 22.20910 7.808557 30.11772       21.04682 0.000000       0.000000 30.11772       21.04682 ?        ?        22.20910 7.808557 ?              ?        
1 1 1 -2  48 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  1  o 113.1751 5.407783 631.4000       59.59381 631.4000       59.59381 631.4000       59.59381 113.1751 5.407783 113.1751 5.407783 0.000000       0.000000 
1 1 1 -1  0  2  o 157.1250 4.744733 1211.947       72.82246 1211.947       72.82246 1211.947       72.82246 157.1250 4.744733 157.1250 4.744733 -0.000000      0.000000 
1 1 1 -1  0  3  o 535.9326 14.16347 14124.58       741.8224 14124.58       741.8224 14124.58       741.8224 535.9326 14.16347 535.9326 14.16347 0.000000       0.000000 
1 1 1 -1  0  4  o 116.6704 3.916493 668.5763       44.61210 668.5763       44.61210 668.5763       44.61210 116.6704 3.916493 116.6704 3.916493 -0.000000      0.000000 
1 1 1 -1  0  5  o 194.1928 5.614779 1851.027       106.5244 1851.027       106.5244 1851.027       106.5244 194.1928 5.614779 194.1928 5.614779 -0.000000      0.000000 
1 1 1 -1  0  6  o 467.3970 12.40821 10736.39       566.7725 10736.39       566.7725 10736.39       566.7725 467.3970 12.40821 467.3970 12.40821 -0.000000      0.000000 
1 1 1 -1  0  7  o 140.0046 4.443532 962.4777       60.75530 962.4777       60.75530 962.4777       60.75530 140.0046 4.443532 140.0046 4.443532 -0.000000      0.000000 
1 1 1 -1  0  8  f 690.8988 18.21011 23534.15       1229.563 23534.15       1229.563 23534.15       1229.563 690.8988 18.21011 690.8988 18.21011 -0.000000      0.000000 
1 1 1 -1  0  9  o 253.1226 7.047104 3145.997       174.2954 3145.997       174.2954 3145.997       174.2954 253.1226 7.047104 253.1226 7.047104 -0.000000      0.000000 
1 1 1 -1  0  10 o 187.0965 5.508898 1718.907       100.6893 1718.907       100.6893 1718.907       100.6893 187.0965 5.508898 187.0965 5.508898 -0.000000      0.000000 
1 1 1 -1  0  11 o 254.9533 7.104448 3193.000       176.9840 3193.000       176.9840 3193.000       176.9840 254.9533 7.104448 254.9533 7.104448 0.000000       0.000000 
1 1 1 -1  0  12 o 144.7635 4.639101 1029.348       65.58234 1029.348       65.58234 1029.348       65.58234 144.7635 4.639101 144.7635 4.639101 -0.000000      0.000000 
1 1 1 -1  0  13 o 61.84380 4.015636 189.6003       24.07015 189.6003       24.07015 189.6003       24.07015 61.84380 4.015636 61.84380 4.015636 -0.000000      0.000000 
1 1 1 -1  0  14 o 656.4760 17.31251 21230.87       1110.713 21230.87       1110.713 21230.87       1110.713 656.4760 17.31251 656.4760 17.31251 0.000000       0.000000 
1 1 1 -1  0  15 o 331.8368 9.008774 5406.404       292.1274 5406.404       292.1274 5406.404       292.1274 331.8368 9.008774 331.8368 9.008774 0.000000       0.000000 
1 1 1 -1  0  16 f 551.2795 14.58568 14940.20       785.8090 14940.20       785.8090 14940.20       785.8090 551.2795 14.58568 551.2795 14.58568 0.000000       0.000000 
1 1 1 -1  0  17 o 143.1337 4.771992 1006.272       66.68856 1006.272       66.68856 1006.272       66.68856 143.1337 4.771992 143.1337 4.771992 -0.000000      0.000000 
1 1 1 -1  0  18 o 341.9512 9.287134 5741.292       310.3325 5741.292       310.3325 5741.292       310.3325 341.9512 9.287134 341.9512 9.287134 0.000000       0.000000 
1 1 1 -1  0  19 o 181.4116 7.867187 1621.000       139.0989 1621.000       139.0989 1621.000       139.0989 181.4116 7.867187 181.4116 7.867187 0.000000       0.000000 
1 1 1 -1  0  20 o 188.9221 8.102815 1758.000       149.2103 1758.000       149.2103 1758.000       149.2103 188.9221 8.102815 188.9221 8.102815 -0.000000      0.000000 
1 1 1 -1  0  21 o 288.9767 7.998008 4100.513       225.8385 4100.513       225.8385 4100.513       225.8385 288.9767 7.998008 288.9767 7.998008 -0.000000      0.000000 
1 1 1 -1  0  22 o 362.9755 9.823851 6474.034       348.4540 6474.034       348.4540 6474.034       348.4540 362.9755 9.823851 362.9755 9.823851 0.000000       0.000000 
1 1 1 -1  0  23 o 173.7428 7.707891 1488.000       130.4948 1488.000       130.4948 1488.000       130.4948 173.7428 7.707891 173.7428 7.707891 -0.000000      0.000000 
1 1 1 -1  0  24 o 268.5819 7.530321 3543.919       197.6168 3543.919       197.6168 3543.919       197.6168 268.5819 7.530321 268.5819 7.530321 -0.000000      0.000000 
1 1 1 -1  0  25 o 63.53670 5.139837 201.5754       31.46885 201.5754       31.46885 201.5754       31.46885 63.53670 5.139837 63.53670 5.139837 -0.000000      0.000000 
1 1 1 -1  0  26 o 523.3428 19.93359 13640.00       1017.754 13640.00       1017.754 13640.00       1017.754 523.3428 19.93359 523.3428 19.93359 0.000000       0.000000 
1 1 1 -1  0  27 o 316.2799 8.700095 4920.485       268.8799 4920.485       268.8799 4920.485       268.8799 316.2799 8.700095 316.2799 8.700095 0.000000       0.000000 
1 1 1 -1  0  28 o 136.0990 4.848088 910.8582       64.39890 910.8582       64.39890 910.8582       64.39890 136.0990 4.848088 136.0990 4.848088 -0.000000      0.000000 
1 1 1 -1  0  29 o 138.2891 4.924855 940.5151       66.47142 940.5151       66.47142 940.5151       66.47142 138.2891 4.924855 138.2891 4.924855 -0.000000      0.000000 
1 1 1 -1  0  30 o 272.6374 7.666730 3656.757       204.2323 3656.757       204.2323 3656.757       204.2323 272.6374 7.666730 272.6374 7.666730 0.000000       0.000000 
1 1 1 -1  0  31 o 160.2844 5.280616 1263.238       82.64407 1263.238       82.64407 1263.238       82.64407 160.2844 5.280616 160.2844 5.280616 0.000000       0.000000 
1 1 1 -1  0  32 o 192.2295 5.901386 1817.165       110.8031 1817.165       110.8031 1817.165       110.8031 192.2295 5.901386 192.2295 5.901386 0.000000       0.000000 
1 1 1 -1  0  33 o 118.7108 4.844362 694.1450       56.07670 694.1450       56.07670 694.1450       56.07670 118.7108 4.844362 118.7108 4.844362 -0.000000      0.000000 
1 1 1 -1  0  34 o 160.9880 5.361143 1275.242       84.26811 1275.242       84.26811 1275.242       84.26811 160.9880 5.361143 160.9880 5.361143 0.000000       0.000000 
1 1 1 -1  0  35 o 93.91323 4.897662 436.0014       44.74051 436.0014       44.74051 436.0014       44.74051 93.91323 4.897662 93.91323 4.897662 0.000000       0.000000 
1 1 1 -1  0  36 o 144.7410 5.161381 1031.867       72.91344 1031.867       72.91344 1031.867       72.91344 144.7410 5.161381 144.7410 5.161381 -0.000000      0.000000 
1 1 1 -1  0  37 o 70.54084 5.599247 248.9678       38.08442 248.9678       38.08442 248.9678       38.08442 70.54084 5.599247 70.54084 5.599247 -0.000000      0.000000 
1 1 1 -1  0  38 o 226.0225 9.609131 2546.000       211.7135 2546.000       211.7135 2546.000       211.7135 226.0225 9.609131 226.0225 9.609131 -0.000000      0.000000 
1 1 1 -1  0  39 o 81.83581 7.762142 339.7000       60.81379 339.7000       60.81379 339.7000       60.81379 81.83581 7.762142 81.83581 7.762142 -0.000000      0.000000 
1 1 1 -1  0  40 o 95.31801 5.000525 450.4868       46.35993 450.4868       46.35993 450.4868       46.35993 95.31801 5.000525 95.31801 5.000525 -0.000000      0.000000 
1 1 1 -1  0  41 o 52.47065 10.36304 152.1000       47.32542 152.1000       47.32542 152.1000       47.32542 52.47065 10.36304 52.47065 10.36304 -0.000000      0.000000 
1 1 1 -1  0  42 o 157.5280 7.701232 1242.000       118.0973 1242.000       118.0973 1242.000       118.0973 157.5280 7.701232 157.5280 7.701232 -0.000000      0.000000 
1 1 1 -1  0  43 f 64.17155 6.127090 209.1148       37.62963 209.1148       37.62963 209.1148       37.62963 64.17155 6.127090 64.17155 6.127090 0.000000       0.000000 
1 1 1 -1  0  44 o 97.00362 5.111799 468.2014       48.22679 468.2014       48.22679 468.2014       48.22679 97.00362 5.111799 97.00362 5.111799 0.000000       0.000000 
1 1 1 -1  0  45 o 59.93330 6.509523 184.3788       37.04660 184.3788       37.04660 184.3788       37.04660 59.93330 6.509523 59.93330 6.509523 0.000000       0.000000 
1 1 1 -1  0  46 o 62.80828 6.247719 201.5094       37.47322 201.5094       37.47322 201.5094       37.47322 62.80828 6.247719 62.80828 6.247719 0.000000       0.000000 
1 1 1 -1  0  47 o 36.67162 10.98669 83.93339       34.34755 83.93339       34.34755 83.93339       34.34755 36.67162 10.98669 36.67162 10.98669 -0.000000      0.000000 
1 1 1 -1  0  48 o 51.92742 7.449101 143.1470       35.60521 143.1470       35.60521 143.1470       35.60521 51.92742 7.449101 51.92742 7.449101 0.000000       0.000000 
1 1 1 -1  0  49 o 57.92752 6.749540 174.8596       36.91565 174.8596       36.91565 174.8596       36.91565 57.92752 6.749540 57.92752 6.749540 -0.000000      0.000000 
1 1 1 -1  0  50 o 66.65694 5.873388 226.9613       37.60627 226.9613       37.60627 226.9613       37.60627 66.65694 5.873388 66.65694 5.873388 0.000000       0.000000 
1 1 1 -1  0  51 o 10.44353 7.369048 -33.29375      30.14464 -33.29375      30.14464 -33.29375      30.14464 10.44353 7.369048 10.44353 7.369048 -0.000000      0.000000 
1 1 1 -1  0  52 o 107.6461 5.247370 581.9348       54.98906 581.9348       54.98906 581.9348       54.98906 107.6461 5.247370 107.6461 5.247370 0.000000       0.000000 
1 1 1 -1  0  53 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  54 o 20.88731 11.52552 34.10000       34.27078 34.10000       34.27078 34.10000       34.27078 20.88731 11.52552 20.88731 11.52552 0.000000       0.000000 
1 1 1 -1  0  55 o 79.09158 7.806270 330.3000       58.98559 330.3000       58.98559 330.3000       58.98559 79.09158 7.806270 79.09158 7.806270 0.000000       0.000000 
1 1 1 -1  0  56 o 9.549514 6.761301 -30.44706      26.10544 -30.44706      26.10544 -30.44706      26.10544 9.549514 6.761301 9.549514 6.761301 -0.000000      0.000000 
1 1 1 -1  0  57 o 46.26177 10.76796 128.6000       42.39974 128.6000       42.39974 128.6000       42.39974 46.26177 10.76796 46.26177 10.76796 0.000000       0.000000 
1 1 1 -1  0  58 f 10.15789 7.144092 -27.65923      27.61125 -27.65923      27.61125 -27.65923      27.61125 10.15789 7.144092 10.15789 7.144092 -0.000000      0.000000 
1 1 1 -1  0  59 o 57.34818 6.333853 172.5934       34.44889 172.5934       34.44889 172.5934       34.44889 57.34818 6.333853 57.34818 6.333853 -0.000000      0.000000 
1 1 1 -1  0  60 o 15.14079 9.457464 10.54929       28.67667 10.54929       28.67667 10.54929       28.67667 15.14079 9.457464 15.14079 9.457464 0.000000       0.000000 
1 1 1 -1  0  61 o 52.16136 6.611890 144.8520       32.28254 144.8520       32.28254 144.8520       32.28254 52.16136 6.611890 52.16136 6.611890 0.000000       0.000000 
1 1 1 -1  0  62 o 19.60750 10.42311 31.09700       27.02568 31.09700       27.02568 31.09700       27.02568 19.60750 10.42311 19.60750 10.42311 -0.000000      0.000000 
1 1 1 -1  0  63 o 15.12377 9.272942 13.18451       26.35063 13.18451       26.35063 13.18451       26.35063 15.12377 9.272942 15.12377 9.272942 0.000000       0.000000 
1 1 1 -1  1  1  o 258.4156 5.804136 3271.221       146.8123 3292.869       180.5687 3229.000       252.1741 259.1118 7.126260 256.3116 10.07099 2.800171       12.33728 
1 1 1 -1  1  2  o 296.1040 8.058203 4301.770       233.3376 4351.000       332.5012 4254.000       327.5334 297.4204 11.44266 294.0870 11.39979 3.333374       16.15208 
1 1 1 -1  1  3  o 299.9785 5.755446 4408.039       168.9956 4182.696       230.6378 4669.288       248.3338 291.9726 8.077926 308.4864 8.231556 -16.51382      11.53306 
1 1 1 -1  1  4  o 296.9073 5.702948 4318.165       165.7397 4396.573       237.0340 4243.159       231.8350 299.3484 8.097045 294.0787 8.061560 5.269745       11.42589 
1 1 1 -1  1  5  o 321.4306 6.133470 5061.636       192.9743 5109.912       274.6436 5014.562       271.2028 322.6776 8.703448 319.6534 8.675816 3.024170       12.28901 
1 1 1 -1  1  6  o 458.5685 8.580797 10312.03       385.1573 10321.30       545.0416 10302.78       544.3483 458.1583 12.16444 457.7474 12.15989 0.4108582      17.19990 
1 1 1 -1  1  7  o 291.4214 5.614055 4160.174       160.1416 4221.238       228.6714 4101.402       224.3396 293.3099 7.972268 289.1170 7.934817 4.192932       11.24804 
1 1 1 -1  1  8  f 209.6217 4.226307 2151.799       86.71686 2192.032       124.0030 2113.291       121.3136 211.4252 5.998023 207.5915 5.976485 3.833725       8.467270 
1 1 1 -1  1  9  o 51.73369 2.570506 131.3426       12.97585 131.9769       18.30477 130.7019       18.39683 51.78854 3.634041 51.53365 3.671125 0.2548904      5.165599 
1 1 1 -1  1  10 o 201.7184 4.111086 1993.115       81.17237 1989.894       114.6963 1996.346       114.8941 201.3864 5.824646 201.7128 5.825232 -0.3264618     8.237708 
1 1 1 -1  1  11 o 160.0786 3.473713 1254.956       54.42939 1228.867       76.04224 1282.364       77.94247 158.2779 4.914223 161.6884 4.930565 -3.410538      6.961326 
1 1 1 -1  1  12 f 218.7949 4.403606 2345.136       94.30872 2377.084       134.4175 2314.162       132.3518 220.0852 6.245947 217.1517 6.233187 2.933517       8.824084 
1 1 1 -1  1  13 o 549.1014 10.24406 14817.21       550.5934 14809.96       778.2567 14824.48       779.0572 547.6437 14.53123 547.9097 14.53912 -0.2659912     20.55584 
1 1 1 -1  1  14 f 292.0517 5.653069 4178.376       161.6033 4152.205       227.5719 4204.999       229.5237 290.8880 8.000171 292.7311 8.017916 -1.843109      11.32650 
1 1 1 -1  1  15 o 677.2123 12.56747 22530.67       833.0648 22279.59       1168.730 22790.00       1187.764 671.9238 17.78566 679.5547 17.87214 -7.630981      25.21395 
1 1 1 -1  1  16 f 515.9932 9.632935 13057.59       486.5291 12910.77       682.6485 13209.15       693.5941 512.3761 13.62347 518.2559 13.68470 -5.879761      19.30983 
1 1 1 -1  1  17 o 224.2763 6.427965 2466.083       140.9661 2412.000       196.8588 2523.000       201.9512 221.6041 9.094831 226.6519 9.121553 -5.047791      12.88094 
1 1 1 -1  1  18 o 273.5263 6.194051 3665.003       165.8365 3853.354       209.7579 3351.000       270.8325 280.2949 7.652501 261.0998 10.61929 19.19516       13.08931 
1 1 1 -1  1  19 o 310.2750 8.500222 4723.858       257.9134 4723.858       257.9134 0.000000       0.000000 310.2750 8.500222 ?        ?        ?              ?        
1 1 1 -1  1  20 o 307.8227 6.878067 4643.571       207.2399 4636.000       358.6985 4647.364       253.9050 306.9311 11.96231 307.7309 8.437309 -0.7998352     14.63847 
1 1 1 -1  1  21 o 321.0504 8.771198 5060.758       275.3793 0.000000       0.000000 5060.758       275.3793 ?        ?        321.0504 8.771198 ?              ?        
1 1 1 -1  1  22 o 349.1674 7.713556 5980.406       263.6298 6109.000       463.1267 5918.763       320.6504 351.8312 13.47295 347.0390 9.448253 4.792145       16.45569 
1 1 1 -1  1  23 o 370.7140 7.060558 6740.863       256.2030 6686.818       360.3276 6796.124       364.3574 368.6825 9.994005 371.6800 10.02418 -2.997498      14.15501 
1 1 1 -1  1  24 o 308.3058 6.902463 4663.517       208.3013 4725.494       257.4345 4546.000       354.4877 310.0364 8.490964 303.4171 11.95932 6.619293       14.66703 
1 1 1 -1  1  25 o 238.4180 6.823994 2792.050       159.0878 2847.000       228.0967 2740.000       221.9954 240.3123 9.717025 235.7594 9.640196 4.552948       13.68773 
1 1 1 -1  1  26 o 184.6167 3.988076 1669.869       72.06771 1624.060       100.2837 1718.794       103.6373 181.8829 5.639717 187.1149 5.665028 -5.231934      7.993682 
1 1 1 -1  1  27 f 219.2851 5.202838 2358.114       111.6749 2303.000       190.1126 2387.151       137.9919 216.0916 9.007830 220.4256 6.402443 -4.333969      11.05135 
1 1 1 -1  1  28 o 178.7648 4.541851 1567.683       79.40890 1564.051       97.14021 1575.000       137.8685 178.4524 5.568039 178.7597 7.898831 -0.3073425     9.664087 
1 1 1 -1  1  29 o 387.2860 7.387211 7376.646       280.0390 7481.793       399.8751 7275.444       392.3033 388.9294 10.51347 383.5453 10.45935 5.384033       14.83007 
1 1 1 -1  1  30 o 131.2206 3.414742 844.2315       43.82247 886.1559       63.25571 805.5400       60.76781 134.3240 4.818860 128.0565 4.856836 6.267426       6.841803 
1 1 1 -1  1  31 o 316.2805 6.148117 4914.814       190.3359 4924.815       269.5027 4904.861       268.8497 315.8647 8.725130 315.2248 8.721688 0.6399536      12.33676 
1 1 1 -1  1  32 o 163.7062 3.779742 1313.753       60.56665 1264.626       83.80527 1367.469       87.63112 160.3976 5.345328 166.7951 5.374475 -6.397552      7.580074 
1 1 1 -1  1  33 f 112.1213 3.384560 616.6986       37.10215 642.5834       53.07989 591.9695       51.88138 114.3240 4.753736 109.7114 4.843117 4.612556       6.786294 
1 1 1 -1  1  34 o 137.4583 3.537860 927.0167       47.56163 925.9344       67.24897 928.0999       67.27564 137.2079 5.015703 137.3690 5.011775 -0.1610718     7.090498 
1 1 1 -1  1  35 o 152.3985 3.697094 1139.245       55.15025 1132.299       78.00611 1146.187       77.98235 151.6681 5.262433 152.6021 5.228433 -0.9339905     7.418201 
1 1 1 -1  1  36 o 141.3918 3.611226 981.5468       49.93779 951.3170       69.79678 1013.251       71.47865 138.9678 5.140009 143.4332 5.099315 -4.465424      7.240353 
1 1 1 -1  1  37 o 138.7535 4.170371 946.9191       56.57593 956.9427       69.24985 926.8000       98.10933 139.3196 5.086627 136.5570 7.367175 2.762589       8.952600 
1 1 1 -1  1  38 o 136.4401 4.168690 916.4028       55.60810 931.3169       68.30893 887.1000       95.74895 137.3524 5.089638 133.4209 7.360205 3.931503       8.948577 
1 1 1 -1  1  39 o 113.2557 4.053122 632.0371       44.85957 580.7000       76.32815 659.1270       55.44623 107.7357 7.280766 115.4782 4.916553 -7.742508      8.785332 
1 1 1 -1  1  40 o 109.1878 4.929882 590.2548       52.55272 0.000000       0.000000 590.2548       52.55272 ?        ?        109.1878 4.929882 ?              ?        
1 1 1 -1  1  41 o 239.3600 4.961733 2835.875       116.2495 2850.635       164.9803 2821.320       163.8291 238.5046 7.074721 237.2845 7.061535 1.220184       9.995847 
1 1 1 -1  1  42 o 70.27763 4.509961 245.2906       30.86013 234.9095       37.90457 265.7000       53.14754 68.46761 5.707753 72.21162 7.634636 -3.744011      9.532372 
1 1 1 -1  1  43 o 54.89946 5.388643 151.3804       28.58434 172.1373       35.59719 113.7000       47.96133 58.30368 6.339490 45.79614 10.86424 12.50753       12.57858 
1 1 1 -1  1  44 o 127.3517 3.618373 801.1357       45.05924 791.0168       63.23247 811.5750       64.22592 125.9558 5.139595 127.5782 5.153741 -1.622345      7.278495 
1 1 1 -1  1  45 o 40.35181 6.211608 83.56709       23.74848 92.71209       33.71174 74.55788       33.46052 41.80124 8.528378 37.23684 9.227515 4.564407       12.56504 
1 1 1 -1  1  46 o 90.98566 3.675960 410.0428       32.67043 433.1321       47.00158 388.4586       45.44373 92.97543 5.185155 87.98903 5.301004 4.986404       7.415287 
1 1 1 -1  1  47 o 87.27517 3.751584 378.0787       31.97394 380.0497       45.27525 376.1178       45.16093 86.87978 5.349920 86.42076 5.365197 0.4590225      7.576740 
1 1 1 -1  1  48 o 46.89312 5.470479 112.2272       24.63856 101.1389       34.60358 123.6294       35.08988 43.29803 8.468325 48.35366 7.669604 -5.055626      11.42521 
1 1 1 -1  1  49 o 90.42915 3.700509 407.2491       32.68569 424.6725       46.95300 390.8666       45.52898 91.54861 5.261854 87.78256 5.323778 3.766045       7.485300 
1 1 1 -1  1  50 o 57.32275 4.461550 165.7108       24.83635 195.9675       35.95810 138.1075       34.34520 61.64238 6.036833 51.17937 7.042420 10.46302       9.275723 
1 1 1 -1  1  51 o 25.44380 7.976863 34.60733       22.09934 29.01550       31.70447 39.89175       30.82065 25.11121 9.465364 27.48813 9.462110 -2.376926      13.38375 
1 1 1 -1  1  52 o 58.48162 6.762587 179.9375       37.99892 179.9375       37.99892 0.000000       0.000000 58.48162 6.762587 ?        ?        ?              ?        
1 1 1 -1  1  53 o 34.29888 7.423677 64.29630       24.19896 64.29630       24.19896 0.000000       0.000000 34.29888 7.423677 ?        ?        ?              ?        
1 1 1 -1  1  54 o 28.39715 8.974669 45.05321       27.92000 53.73000       35.70610 31.40000       44.78991 30.67027 10.18611 27.12935 10.94452 3.540924       14.95123 
1 1 1 -1  1  55 o 40.10109 6.022232 85.08219       22.90887 114.9000       38.40596 68.61317       28.54267 44.82519 9.065155 34.73954 8.471273 10.08566       12.40724 
1 1 1 -1  1  56 o 42.43185 6.359407 96.15292       25.60014 90.66000       47.50145 98.40141       30.39140 37.82326 11.66910 42.19437 7.639704 -4.371105      13.94751 
1 1 1 -1  1  57 o 25.51835 8.408252 35.83225       24.34412 6.592000       47.54988 46.21903       28.33997 23.81919 10.49181 28.44742 9.048195 -4.628227      13.85452 
1 1 1 -1  1  58 o 21.84456 8.735626 18.77835       28.27132 18.77835       28.27132 0.000000       0.000000 21.84456 8.735626 ?        ?        ?              ?        
1 1 1 -1  1  59 o 15.09564 6.740401 -4.775474      20.29914 0.1406889      28.84555 -9.598522      28.57106 18.65894 8.196935 17.19393 7.807549 1.465014       11.32023 
1 1 1 -1  1  60 o 21.88386 7.642182 24.85441       20.13756 16.52924       28.01479 33.75495       28.96669 21.25249 8.625960 25.13548 9.123635 -3.882994      12.55579 
1 1 1 -1  1  61 o 44.20947 5.170496 101.9727       21.95241 106.1609       30.04784 97.17824       32.14939 43.88851 7.247219 41.29396 8.242797 2.594555       10.97569 
1 1 1 -1  1  62 o 30.38804 6.898094 51.51717       20.04722 56.81814       28.10295 46.02479       28.60584 30.94452 8.839149 27.97658 9.108561 2.967943       12.69238 
1 1 1 -1  1  63 o 28.24892 7.560527 45.89912       21.31729 36.76798       27.55519 59.51000       33.64217 25.40504 8.934485 30.94545 9.860132 -5.540413      13.30591 
1 1 1 -1  2  1  o 324.6877 7.152952 5166.653       227.3303 5002.587       272.4117 5543.000       412.5834 319.2648 8.725208 335.5867 12.58261 -16.32190      15.31180 
1 1 1 -1  2  2  o 170.4902 4.109664 1423.224       68.58228 1557.421       88.19968 1218.000       109.0712 178.2543 5.060115 157.4897 7.093625 20.76466       8.713454 
1 1 1 -1  2  3  o 157.9921 3.887195 1222.150       60.11432 1271.757       75.14925 1134.000       100.1755 161.0795 4.771523 151.9759 6.750962 9.103577       8.266978 
1 1 1 -1  2  4  f 527.4769 11.35972 13664.50       586.5125 13532.51       713.3035 13940.00       1030.544 524.2870 13.91179 530.5114 19.88083 -6.224304      24.26490 
1 1 1 -1  2  5  o 671.6493 12.47902 22170.75       820.4069 22001.93       1152.485 22344.18       1168.134 667.4644 17.65560 672.6039 17.75854 -5.139526      25.04169 
1 1 1 -1  2  6  o 391.0832 7.371739 7496.404       282.1924 7513.920       399.7422 7479.003       398.4217 391.1115 10.45111 390.2025 10.44088 0.9090576      14.77287 
1 1 1 -1  2  7  o 85.52563 2.830520 358.4659       23.66302 317.1000       38.71413 383.1371       29.89803 80.31197 4.948771 88.39521 3.462169 -8.083244      6.039615 
1 1 1 -1  2  8  o 132.7767 3.042337 863.0938       39.53988 898.5747       56.95956 830.0947       54.93124 135.3885 4.303586 130.1212 4.318842 5.267380       6.096987 
1 1 1 -1  2  9  o 57.83696 2.857278 164.1693       16.12566 141.2000       26.06746 178.4082       20.52405 53.44817 5.042230 60.26029 3.494562 -6.812122      6.134822 
1 1 1 -1  2  10 o 280.8356 5.444588 3865.787       149.6661 3837.754       210.6523 3894.363       212.6819 279.4982 7.707185 281.5511 7.724629 -2.052948      10.91195 
1 1 1 -1  2  11 o 405.4889 7.650434 8072.267       303.6486 8133.637       431.6854 8012.166       427.1977 406.2388 10.86600 403.2000 10.83418 3.038788       15.34436 
1 1 1 -1  2  12 o 533.2615 9.963571 13982.98       520.0695 14215.14       744.3602 13761.58       726.9283 536.1937 14.19507 527.6043 14.08854 8.589355       19.99967 
1 1 1 -1  2  13 o 378.9965 7.180217 7043.326       266.3661 7010.294       375.8484 7076.658       377.5545 377.6071 10.17800 379.3918 10.17602 -1.784729      14.39246 
1 1 1 -1  2  14 o 566.3510 10.54770 15747.64       584.7222 15783.87       828.1573 15711.63       825.6923 565.9078 14.96381 564.6131 14.95352 1.294739       21.15475 
1 1 1 -1  2  15 o 669.5941 12.42570 22023.12       814.4019 21993.02       1150.439 22053.36       1153.042 667.6859 17.61833 668.5971 17.63411 -0.9112549     24.92725 
1 1 1 -1  2  16 o 187.3840 3.945953 1719.063       72.37534 1722.509       102.4301 1715.626       102.2784 187.4560 5.588656 187.0806 5.591607 0.3753815      7.905640 
1 1 1 -1  2  17 o 691.6763 14.83875 23532.95       1004.630 23089.38       1213.354 24500.00       1791.550 684.0411 18.13771 701.5763 26.13411 -17.53522      31.81145 
1 1 1 -1  2  18 o 342.0741 7.551583 5734.765       252.8508 5715.873       309.0684 5773.000       439.6896 341.2669 9.260956 342.4857 13.14026 -1.218781      16.07581 
1 1 1 -1  2  19 o 267.2544 5.266038 3498.147       137.7575 3462.686       192.9715 3535.000       196.7195 265.6987 7.427178 268.4556 7.493656 -2.756927      10.55073 
1 1 1 -1  2  20 o 98.09666 3.623012 471.7780       34.72829 418.9000       56.73618 503.4600       43.91653 92.24809 6.321638 101.2994 4.439878 -9.051308      7.724999 
1 1 1 -1  2  21 o 437.9167 9.528401 9413.492       408.4301 9181.000       694.8331 9536.232       504.8588 430.8902 16.50484 440.2726 11.72543 -9.382385      20.24588 
1 1 1 -1  2  22 o 234.4642 5.474725 2693.615       125.6449 2623.000       214.5094 2730.493       155.0206 230.9056 9.511225 235.8990 6.720473 -4.993423      11.64595 
1 1 1 -1  2  23 o 351.2011 7.765925 6052.996       266.9656 6194.468       332.1929 5795.000       448.6010 354.9041 9.571275 342.4584 13.40869 12.44568       16.47429 
1 1 1 -1  2  24 o 363.6318 8.021033 6493.450       285.4949 6428.000       491.3902 6526.800       350.7708 360.2955 13.95995 364.1198 9.850812 -3.824280      17.08563 
1 1 1 -1  2  25 o 126.1309 3.796875 779.9983       46.82300 788.7022       57.75092 763.3000       79.99037 126.7764 4.661811 124.5474 6.584802 2.228958       8.067967 
1 1 1 -1  2  26 o 387.3026 8.517760 7377.527       322.9104 7509.993       400.3734 7131.000       546.1928 390.1318 10.49403 378.6465 14.76519 11.48532       18.11451 
1 1 1 -1  2  27 o 312.3873 6.056583 4789.132       185.1942 4817.717       263.0709 4761.048       260.7527 312.7659 8.601214 310.9253 8.575934 1.840576       12.14609 
1 1 1 -1  2  28 o 236.5342 5.523884 2745.153       127.8924 2649.000       215.9152 2797.122       158.7350 231.5806 9.545677 238.5102 6.806187 -6.929581      11.72366 
1 1 1 -1  2  29 o 284.9954 6.475550 3990.204       180.6428 4138.702       226.5538 3731.000       299.3174 289.8556 7.992785 274.3427 11.16970 15.51288       13.73487 
1 1 1 -1  2  30 o 345.1427 6.645164 5855.059       224.4970 5960.813       321.3005 5754.180       313.8056 347.3608 9.458642 341.3016 9.402213 6.059235       13.33670 
1 1 1 -1  2  31 o 160.2758 3.724781 1259.036       58.43527 1271.331       83.01942 1246.963       82.26564 160.8539 5.279963 159.3028 5.283116 1.551086       7.469225 
1 1 1 -1  2  32 o 229.5077 4.717082 2584.531       105.9685 2510.962       147.1680 2663.745       152.7098 225.8336 6.664904 232.5983 6.714428 -6.764603      9.460681 
1 1 1 -1  2  33 o 275.0999 5.465795 3717.914       147.1804 3700.533       207.5344 3735.500       208.7601 273.8274 7.750758 275.1164 7.759950 -1.288971      10.96773 
1 1 1 -1  2  34 o 211.4873 4.457004 2195.339       92.26427 2165.346       129.4342 2226.322       131.5545 209.6395 6.314879 212.5700 6.329675 -2.930527      8.941056 
1 1 1 -1  2  35 o 84.44195 3.551784 350.3236       29.29140 336.5822       41.25513 364.2928       41.59555 82.59092 5.128466 85.95708 4.964905 -3.366158      7.138028 
1 1 1 -1  2  36 o 112.0642 4.008069 617.3651       43.89434 629.3716       53.81487 593.5000       75.87094 113.0307 4.875536 109.3466 7.127500 3.684036       8.635514 
1 1 1 -1  2  37 o 309.3729 7.050880 4739.303       213.5167 4645.334       258.1097 4943.000       380.0175 305.2833 8.646349 311.8973 12.47276 -6.613983      15.17659 
1 1 1 -1  2  38 o 189.2783 4.172428 1762.116       77.30292 1736.888       108.4024 1788.219       110.2671 187.3591 5.918382 190.1050 5.933054 -2.745911      8.380237 
1 1 1 -1  2  39 o 153.6057 4.311494 1162.976       64.76068 1194.000       112.5946 1147.639       79.16603 154.5618 7.464402 152.3082 5.318342 2.253616       9.165263 
1 1 1 -1  2  40 o 99.73959 3.492078 489.8275       34.03981 457.8367       47.27281 524.2771       49.05581 96.10547 5.042889 102.8991 4.884432 -6.793655      7.020570 
1 1 1 -1  2  41 o 24.72230 8.636691 28.00067       25.72119 20.73000       47.30318 31.05276       30.64796 27.76896 11.23133 26.35399 9.407589 1.414968       14.65079 
1 1 1 -1  2  42 o 119.0556 3.516188 698.8696       40.93097 680.4774       57.49496 717.7697       58.28335 117.0250 5.031072 120.2183 4.963672 -3.193260      7.067512 
1 1 1 -1  2  43 o 31.01523 8.480956 50.69018       26.48190 43.04129       32.71415 65.23000       45.10411 29.34940 9.750088 35.33500 11.43241 -5.985598      15.02545 
1 1 1 -1  2  44 o 100.6633 4.166620 502.3871       40.96579 491.6661       50.10651 524.0000       71.14301 99.23582 5.176348 101.5337 7.205209 -2.297844      8.871844 
1 1 1 -1  2  45 o 74.17686 3.995445 273.0746       28.90241 292.9475       41.38057 254.1456       40.38594 76.34535 5.575870 70.98215 5.864953 5.363205       8.092465 
1 1 1 -1  2  46 o 39.28299 6.490726 79.84078       24.08681 71.54643       34.04561 88.15298       34.08222 36.31784 9.478067 40.52729 8.840929 -4.209450      12.96132 
1 1 1 -1  2  47 o 69.59594 4.157459 241.5119       28.19253 223.2610       39.67349 260.1293       40.06997 66.16012 6.198471 71.64323 5.762535 -5.483116      8.463324 
1 1 1 -1  2  48 o 35.54481 7.074991 66.97418       23.74964 61.40443       33.69403 72.47377       33.48111 33.37132 9.723530 36.22338 9.372144 -2.852055      13.50497 
1 1 1 -1  2  49 o 68.28293 4.175534 233.6588       27.77467 240.8139       39.50725 226.6665       39.05528 68.51519 5.949860 66.39332 6.076972 2.121872       8.504730 
1 1 1 -1  2  50 o 31.50745 7.246264 53.60286       21.88121 78.45174       31.54577 30.56158       30.37673 37.62753 8.733642 25.33875 9.320038 12.28877       12.77261 
1 1 1 -1  2  51 o 77.21751 5.537814 305.1113       41.57833 305.1113       41.57833 0.000000       0.000000 77.21751 5.537814 ?        ?        ?              ?        
1 1 1 -1  2  52 o 22.51768 7.823810 25.31046       21.09187 26.29931       24.04481 22.01000       43.92828 23.22322 8.327803 25.81260 10.67482 -2.589380      13.53898 
1 1 1 -1  2  53 o 64.08641 4.560750 208.2128       28.42242 190.1704       33.71857 252.5000       52.82761 60.61860 5.751541 68.24486 8.063906 -7.626259      9.904887 
1 1 1 -1  2  54 o 15.62808 6.863065 -2.269211      20.20534 -0.3014301     22.87296 -9.260000      43.11190 16.93722 7.372776 21.37393 9.659556 -4.436710      12.15174 
1 1 1 -1  2  55 o 35.22907 7.300145 68.25846       24.34522 76.94538       28.77533 46.38000       45.66629 36.98984 8.166252 29.42664 11.29586 7.563200       13.93858 
1 1 1 -1  2  56 o 16.84962 7.543596 -5.732140      25.60575 0.000000       0.000000 -5.732140      25.60575 ?        ?        16.84962 7.543596 ?              ?        
1 1 1 -1  2  57 o 46.16534 5.034101 110.2050       22.37992 79.50797       31.66858 140.8300       31.63144 37.12427 8.841991 51.44086 6.421569 -14.31659      10.92782 
1 1 1 -1  2  58 o 38.43682 7.034480 80.86633       25.49085 69.63000       46.29190 85.75609       30.53772 33.43304 11.59222 38.86034 8.281735 -5.427296      14.24664 
1 1 1 -1  2  59 o 28.38599 8.331462 46.04071       24.65856 35.74537       28.35888 77.95000       49.92608 25.63755 9.059731 34.84706 12.04084 -9.209513      15.06853 
1 1 1 -1  2  60 o 48.66314 4.840421 122.3340       22.75091 135.1977       31.57692 108.4480       32.80766 50.10806 6.598264 43.95124 7.917167 6.156818       10.30624 
1 1 1 -1  2  61 o 43.02882 5.208789 96.77119       21.49222 92.73817       29.66364 101.2277       31.18237 40.63945 7.739679 42.46781 7.788337 -1.828358      10.98002 
1 1 1 -1  2  62 o 17.69847 7.334822 8.444761       20.80061 35.17262       25.90804 -40.03000      34.89075 25.07307 8.673331 15.82514 7.619489 9.247938       11.54484 
1 1 1 -1  2  63 o 27.34369 7.284012 42.63389       19.84422 56.86941       27.72273 27.67524       28.41813 30.80998 8.772116 23.33333 8.922378 7.476645       12.51235 
1 1 1 -1  3  1  o 277.7151 5.367058 3777.581       145.8956 3863.233       209.3764 3696.742       203.4080 280.6312 7.629370 274.5174 7.577177 6.113831       10.75272 
1 1 1 -1  3  2  o 847.7472 22.40584 35674.30       1857.603 36570.00       2674.938 34840.00       2581.640 852.0491 32.13081 831.8937 31.76290 20.15533       45.18043 
1 1 1 -1  3  3  o 266.0099 5.970381 3466.490       155.4555 3594.281       194.8968 3243.000       257.7404 270.7013 7.362267 256.8464 10.27258 13.85495       12.63839 
1 1 1 -1  3  4  o 269.8635 6.054278 3567.746       159.9237 3786.706       203.4852 3214.000       258.6405 277.8481 7.488853 255.6849 10.35583 22.16325       12.77991 
1 1 1 -1  3  5  f 351.7326 9.467344 6073.800       325.6506 6266.000       470.4612 5897.000       451.2201 356.6878 13.49938 346.0355 13.34678 10.65237       18.98341 
1 1 1 -1  3  6  o 185.9144 3.828044 1692.335       69.66205 1653.612       97.12054 1733.367       99.97550 183.6570 5.408424 188.0359 5.437547 -4.378860      7.669287 
1 1 1 -1  3  7  o 317.8434 6.076501 4950.158       189.0484 4953.489       267.4662 4946.833       267.2434 317.6442 8.610384 317.4308 8.609003 0.2134705      12.17595 
1 1 1 -1  3  8  o 193.2623 3.961537 1829.061       74.94057 1779.317       104.0718 1882.631       108.0013 190.4786 5.587923 195.9317 5.637284 -5.453094      7.937496 
1 1 1 -1  3  9  o 62.60780 3.302379 192.4673       20.16615 187.1000       28.30535 198.0000       28.73805 61.61736 4.729242 63.40280 4.663284 -1.785435      6.641683 
1 1 1 -1  3  10 o 286.5803 5.543713 4026.027       155.5082 4042.715       220.4825 4009.509       219.3653 286.8311 7.860520 285.6510 7.853049 1.180176       11.11117 
1 1 1 -1  3  11 o 249.2220 4.906501 3043.648       119.6918 3049.211       169.4006 3038.103       169.1393 249.1959 6.951722 248.7410 6.953719 0.4549103      9.832632 
1 1 1 -1  3  12 o 441.6823 8.300762 9576.844       358.8675 9600.565       508.4217 9553.291       506.6136 441.3935 11.77824 440.3080 11.76531 1.085541       16.64780 
1 1 1 -1  3  13 o 144.2465 3.278930 1018.698       46.29601 975.3814       64.03082 1066.149       67.01605 141.0441 4.644302 147.4674 4.648571 -6.423248      6.571055 
1 1 1 -1  3  14 o 171.1198 3.676659 1433.616       61.58287 1466.545       88.15823 1402.235       86.06223 172.9641 5.213107 169.1262 5.204904 3.837906       7.366648 
1 1 1 -1  3  15 o 299.4332 5.784872 4391.451       169.5508 4312.931       236.8125 4474.035       242.8642 296.5199 8.166923 302.0065 8.223286 -5.486664      11.58970 
1 1 1 -1  3  16 o 236.2354 5.445414 2733.097       125.9164 2690.027       152.8624 2824.000       222.0781 234.2329 6.674051 239.7840 9.480608 -5.551117      11.59417 
1 1 1 -1  3  17 o 350.5262 6.686311 6019.627       229.4105 6014.309       324.0764 6024.969       324.7957 350.0612 9.466644 350.3703 9.479293 -0.3090210     13.39680 
1 1 1 -1  3  18 o 379.5759 7.198762 7060.333       267.4623 7204.674       383.5345 6923.685       373.1760 383.0520 10.23835 375.5118 10.16210 7.540222       14.42539 
1 1 1 -1  3  19 o 353.2484 7.781227 6116.898       269.0509 6156.000       467.5381 6097.538       328.9824 353.5490 13.53518 352.4186 9.545699 1.130341       16.56265 
1 1 1 -1  3  20 o 478.8365 10.37287 11256.70       486.1750 11070.00       831.7136 11353.61       599.2095 473.0327 17.99572 480.3420 12.75576 -7.309326      22.05800 
1 1 1 -1  3  21 o 357.4054 6.820478 6261.600       238.6064 6274.894       337.8844 6248.376       336.9981 357.3702 9.668137 356.6144 9.663242 0.7557373      13.66935 
1 1 1 -1  3  22 o 264.2649 6.035146 3422.858       156.1109 3416.358       190.8509 3436.000       271.3765 263.8142 7.398077 264.1735 10.51587 -0.3593445     12.85749 
1 1 1 -1  3  23 o 282.8741 6.403072 3923.644       177.2914 3793.000       300.7820 3993.201       219.4700 277.3780 11.10073 285.1241 7.871378 -7.746124      13.60827 
1 1 1 -1  3  24 o 167.9671 4.350041 1383.124       71.45919 1435.000       126.8486 1359.008       86.48895 170.7971 7.606587 166.4253 5.316092 4.371796       9.280141 
1 1 1 -1  3  25 o 154.3770 3.575652 1167.317       54.03113 1178.703       76.70878 1156.106       76.11776 154.9836 5.063333 153.4884 5.073428 1.495178       7.167776 
1 1 1 -1  3  26 o 320.6947 7.161254 5051.200       224.7952 5171.298       279.6774 4832.000       377.8418 324.0705 8.825030 312.3274 12.38384 11.74304       15.20660 
1 1 1 -1  3  27 o 183.4298 4.583983 1649.353       82.30365 1654.590       100.9968 1639.000       142.0051 183.5605 5.627757 182.3854 7.973674 1.175140       9.759668 
1 1 1 -1  3  28 o 228.6970 4.668249 2564.448       104.5011 2594.718       149.0766 2535.205       146.5299 229.7332 6.636439 227.0869 6.599163 2.646286       9.359020 
1 1 1 -1  3  29 o 241.5920 5.631238 2864.842       133.1658 3049.000       238.7006 2781.629       160.4556 248.3095 9.840446 237.7861 6.901156 10.52341       12.01917 
1 1 1 -1  3  30 f 115.8368 3.830588 658.3638       43.37312 652.7051       52.95277 669.9000       75.60715 115.2635 4.703314 116.5549 6.654795 -1.291466      8.149077 
1 1 1 -1  3  31 o 227.8844 4.682467 2547.470       104.4469 2587.433       149.1526 2509.016       146.3089 229.3004 6.652410 225.8008 6.626879 3.499573       9.389893 
1 1 1 -1  3  32 o 200.5333 4.284617 1972.332       84.10170 2052.828       121.6265 1898.580       116.4198 204.2722 6.089729 196.4456 6.061754 7.826523       8.592419 
1 1 1 -1  3  33 o 143.3598 3.575655 1007.495       50.17521 984.2372       70.06808 1031.974       71.88368 141.4889 5.067500 144.8825 5.076681 -3.393616      7.173022 
1 1 1 -1  3  34 o 159.3916 3.751731 1245.983       58.53337 1248.914       82.72733 1243.044       82.83014 159.3252 5.312096 158.9469 5.331449 0.3783264      7.526135 
1 1 1 -1  3  35 o 93.18417 4.001542 426.9107       36.41350 409.0079       43.72901 467.4000       65.76251 91.09795 4.922331 97.08090 6.966836 -5.982948      8.530309 
1 1 1 -1  3  36 o 223.5492 4.663476 2456.623       102.0444 2516.162       146.3085 2400.226       142.3961 225.6402 6.631601 220.3835 6.608511 5.256683       9.362187 
1 1 1 -1  3  37 o 128.9778 3.498735 817.1510       44.12968 837.8999       63.32532 797.5613       61.53094 130.3642 4.971754 127.1866 4.951954 3.177574       7.017135 
1 1 1 -1  3  38 o 103.8890 3.901941 531.3016       39.60811 553.4000       67.86031 519.8835       48.77905 105.4689 6.606511 102.5986 4.871109 2.870277       8.208148 
1 1 1 -1  3  39 o 127.8541 3.515927 804.0660       43.95905 761.5801       60.93161 850.1827       63.48174 124.1011 5.026440 131.1513 4.953947 -7.050247      7.057386 
1 1 1 -1  3  40 o 87.98518 3.570185 381.4448       30.68341 364.1641       43.17757 399.0746       43.61147 85.64631 5.174567 89.71583 4.985824 -4.069519      7.185721 
1 1 1 -1  3  41 o 185.2398 4.143519 1693.079       75.12940 1689.631       106.3185 1696.517       106.1797 184.1942 5.904568 184.5804 5.884437 -0.3861237     8.336097 
1 1 1 -1  3  42 o 122.1867 4.109553 738.1180       49.08018 781.8000       88.15015 718.4925       59.08574 124.4397 7.268633 120.2473 5.031085 4.192406       8.839957 
1 1 1 -1  3  43 o 86.37230 4.234493 369.9023       35.69081 394.4000       63.87886 358.7838       43.03457 88.01382 7.485773 84.77899 5.211067 3.234833       9.120965 
1 1 1 -1  3  44 o 98.36779 3.608422 478.2651       34.68485 509.9045       50.64473 450.3152       47.60027 101.0714 5.136008 94.96553 5.139950 6.105888       7.266200 
1 1 1 -1  3  45 o 58.40960 5.416885 171.8276       30.61707 193.1575       38.04100 132.6000       51.58852 61.62721 6.399336 49.14137 10.99982 12.48584       12.72586 
1 1 1 -1  3  46 o 97.83349 3.690243 474.0894       35.27520 473.2132       49.67623 474.9806       50.09981 97.15688 5.243010 97.32285 5.278905 -0.1659622     7.440161 
1 1 1 -1  3  47 o 58.60034 4.695210 172.4303       26.70639 212.4701       38.51947 135.3674       37.05988 64.52514 6.174024 50.77436 7.697911 13.75078       9.867949 
1 1 1 -1  3  48 o 34.14206 7.215895 62.10157       23.35904 68.44736       33.43725 56.05244       32.64629 35.16725 9.493924 31.99212 9.635442 3.175131       13.52687 
1 1 1 -1  3  49 o 34.75509 7.076965 64.53563       23.25622 69.59811       32.83554 59.43989       32.94324 35.28867 9.355615 32.65270 9.642162 2.635975       13.43498 
1 1 1 -1  3  50 o 43.51863 6.445427 99.27814       26.62682 99.27814       26.62682 0.000000       0.000000 43.51863 6.445427 ?        ?        ?              ?        
1 1 1 -1  3  51 o 47.42781 5.156343 115.1985       23.55278 113.4680       27.32533 120.2000       46.45416 46.64946 6.132674 45.49273 10.62540 1.156734       12.26820 
1 1 1 -1  3  52 o 92.41588 4.057638 428.4945       36.61560 396.3413       43.69631 504.3000       67.09386 88.26303 5.079227 97.92527 7.046860 -9.662239      8.686586 
1 1 1 -1  3  53 o 27.32335 7.801238 41.08226       21.89548 52.85921       25.25633 5.454000       43.92898 30.77320 8.226479 23.38111 10.19704 7.392092       13.10170 
1 1 1 -1  3  54 o 27.07193 7.688314 40.44506       21.32252 21.91786       24.06564 108.1000       45.98777 21.97018 8.254095 42.31985 11.00141 -20.34968      13.75358 
1 1 1 -1  3  55 o 35.49768 9.406447 73.71942       33.20357 71.40000       46.70290 76.09000       47.21516 34.08025 11.65037 34.99991 11.71536 -0.9196625     16.52213 
1 1 1 -1  3  56 o 44.36763 6.201822 104.6283       26.19862 111.1951       31.16286 88.80000       48.38148 45.10351 7.308531 37.32378 11.81640 7.779736       13.89395 
1 1 1 -1  3  57 o 31.90797 7.385149 56.63120       22.60890 32.29000       36.69551 71.52506       28.70422 25.85452 10.07112 35.39697 8.409753 -9.542448      13.12065 
1 1 1 -1  3  58 o 40.98818 5.418566 88.02448       21.20748 83.85100       28.90321 92.89186       31.21370 38.63413 7.909599 40.56511 8.144385 -1.930984      11.35310 
1 1 1 -1  3  59 o 75.69299 4.513890 292.3282       33.29168 290.9000       59.01241 292.9950       40.32060 71.89819 8.552744 75.02428 5.529441 -3.126091      10.18451 
1 1 1 -1  3  60 o 53.02129 4.572614 144.2686       23.49963 128.0764       32.41539 162.2052       34.11683 48.45359 7.040581 55.03566 6.455708 -6.582062      9.552274 
1 1 1 -1  3  61 o 19.74778 7.694227 16.29993       21.42254 22.10032       26.98048 6.405000       35.23931 22.15931 8.634550 21.06051 9.159672 1.098801       12.58789 
1 1 1 -1  3  62 o 46.37302 4.903252 111.8663       21.91977 88.53169       29.98788 138.6377       32.12035 39.29082 8.067719 50.49394 6.661137 -11.20311      10.46226 
1 1 1 -1  3  63 f 41.65117 6.594328 95.16315       25.99034 78.50681       29.98364 145.5000       52.12397 36.44500 8.552950 47.03894 11.43377 -10.59394      14.27880 
1 1 1 -1  4  1  o 484.9749 9.062664 11536.61       430.2108 10670.00       814.0297 11872.47       506.7646 464.5687 17.93497 491.7933 10.52731 -27.22464      20.79633 
1 1 1 -1  4  2  o 887.5930 16.46495 38839.55       1430.476 38541.79       2009.966 39145.16       2036.288 880.6639 23.33755 887.4633 23.46193 -6.799377      33.09235 
1 1 1 -1  4  3  f 416.5829 7.830968 8507.413       319.3178 8189.614       439.4335 8862.963       464.8006 408.2522 11.00664 424.6874 11.19102 -16.43524      15.69666 
1 1 1 -1  4  4  o 177.1278 4.258305 1536.259       73.82948 1530.530       90.05915 1548.000       128.9224 176.6988 5.212704 177.5588 7.434332 -0.8599701     9.079734 
1 1 1 -1  4  5  o 279.0869 7.650684 3821.379       208.8026 3821.379       208.8026 0.000000       0.000000 279.0869 7.650684 ?        ?        ?              ?        
1 1 1 -1  4  6  o 307.5045 6.820693 4634.729       205.2987 4585.529       249.8480 4737.000       360.2185 305.6407 8.359236 310.1856 11.88619 -4.544952      14.53129 
1 1 1 -1  4  7  o 277.6481 5.381378 3776.814       146.2495 3743.163       205.1918 3811.561       208.5040 276.1595 7.598133 278.6674 7.651263 -2.507996      10.78302 
1 1 1 -1  4  8  o 141.7535 3.640780 984.6466       50.47484 1010.643       62.91668 937.7000       84.54897 143.5688 4.482620 138.1589 6.268391 5.409897       7.706270 
1 1 1 -1  4  9  o 187.4626 3.876945 1721.242       71.13944 1709.072       100.1049 1733.658       101.1155 186.6461 5.485313 187.9837 5.501215 -1.337540      7.768657 
1 1 1 -1  4  10 o 132.2446 3.058426 856.3495       39.58970 843.5663       55.39855 869.6920       56.59728 131.1500 4.321328 133.1659 4.347893 -2.015869      6.130094 
1 1 1 -1  4  11 o 236.8830 4.700372 2749.229       108.9864 2685.769       151.8219 2816.699       156.5468 233.9148 6.637584 239.5482 6.682970 -5.633438      9.419108 
1 1 1 -1  4  12 o 202.0535 4.135396 1999.399       81.78801 1891.926       111.7249 2123.497       120.0554 196.3979 5.818163 208.0742 5.900595 -11.67633      8.286618 
1 1 1 -1  4  13 o 314.4099 6.037065 4843.357       185.7925 4795.003       260.9910 4893.039       264.5457 312.5487 8.539034 315.7269 8.568100 -3.178131      12.09659 
1 1 1 -1  4  14 o 323.4740 7.153867 5127.424       226.5095 5139.294       278.0403 5104.000       390.5789 323.6267 8.785348 322.0929 12.41181 1.533875       15.20642 
1 1 1 -1  4  15 o 273.0853 7.560445 3657.314       201.8988 3881.000       297.7816 3467.000       274.6724 281.0214 10.84597 265.6136 10.58594 15.40784       15.15576 
1 1 1 -1  4  16 o 384.2249 7.275559 7233.830       273.6265 7137.670       383.2287 7333.834       390.8154 381.2978 10.27741 386.4984 10.33970 -5.200531      14.57857 
1 1 1 -1  4  17 f 346.0190 6.614352 5865.799       224.0234 5590.833       306.9091 6179.378       327.7507 337.5133 9.298796 354.8312 9.445001 -17.31793      13.25427 
1 1 1 -1  4  18 o 468.4139 10.14620 10766.08       465.1999 10480.00       789.9415 10917.97       575.5980 460.6405 17.55181 471.2302 12.49002 -10.58969      21.54220 
1 1 1 -1  4  19 o 485.9412 10.51564 11591.71       500.1794 11590.00       865.5690 11592.56       612.8639 484.1001 18.29965 485.4211 12.90996 -1.321014      22.39518 
1 1 1 -1  4  20 o 106.6172 3.657218 557.2077       38.11017 541.6582       45.82171 592.1000       68.64013 105.0757 4.465336 109.7362 6.418333 -4.660477      7.818838 
1 1 1 -1  4  21 o 264.5813 6.041095 3430.531       156.4519 3488.000       274.4685 3402.871       190.4160 266.2256 10.55353 263.3237 7.394989 2.901917       12.88654 
1 1 1 -1  4  22 o 200.0319 4.202284 1959.726       82.27934 2008.105       117.9127 1913.812       114.8681 202.3230 5.960501 197.5125 5.948316 4.810501       8.420810 
1 1 1 -1  4  23 o 426.5477 8.056505 8932.569       336.3725 8937.475       475.6350 8927.662       475.7701 425.8406 11.42123 425.6041 11.43085 0.2365112      16.15886 
1 1 1 -1  4  24 o 504.5058 10.95748 12541.33       541.1067 12330.00       926.1685 12650.85       666.7330 496.5006 19.09300 505.6556 13.48275 -9.154968      23.37365 
1 1 1 -1  4  25 o 281.1831 6.381582 3879.643       175.6402 3818.000       301.6296 3911.269       216.0473 277.9875 11.10754 282.0327 7.833647 -4.045197      13.59204 
1 1 1 -1  4  26 o 333.9171 6.425863 5472.916       210.0276 5558.344       300.2081 5391.019       293.9388 335.8918 9.139462 330.8063 9.086329 5.085449       12.88764 
1 1 1 -1  4  27 f 164.0591 4.280912 1320.072       68.68653 1312.296       83.79094 1336.000       119.9262 163.4882 5.242836 164.6938 7.458628 -1.205582      9.116932 
1 1 1 -1  4  28 o 100.6529 3.687747 497.0704       36.27096 494.7185       44.08226 502.0000       63.82039 100.3527 4.499189 100.8877 6.497262 -0.5349350     7.902981 
1 1 1 -1  4  29 o 256.1479 5.120669 3218.961       128.3878 3281.409       183.7039 3159.335       179.5044 258.1999 7.275945 253.3538 7.245826 4.846146       10.26847 
1 1 1 -1  4  30 o 324.7984 7.264762 5190.158       230.9625 5417.000       410.8393 5085.341       279.2708 329.7975 12.75079 320.9626 8.897832 8.834991       15.54845 
1 1 1 -1  4  31 o 252.4519 5.869790 3130.701       145.0466 3183.585       179.7525 3032.000       245.5687 254.2313 7.230713 247.3270 10.16534 6.904266       12.47467 
1 1 1 -1  4  32 o 165.7038 3.819473 1346.171       61.95013 1365.540       88.29497 1327.391       86.94212 166.6571 5.419806 164.3112 5.413150 2.345917       7.660058 
1 1 1 -1  4  33 o 213.4902 4.488333 2236.551       93.79272 2213.670       131.8527 2259.988       133.4476 212.0199 6.360592 214.2263 6.371100 -2.206390      9.002669 
1 1 1 -1  4  34 o 229.1026 5.475119 2580.493       122.7806 2670.939       153.5275 2420.000       204.5118 232.7150 6.747056 220.6715 9.490352 12.04346       11.64429 
1 1 1 -1  4  35 o 108.3968 3.435825 576.8209       36.40866 585.9346       51.45788 567.6846       51.52144 109.0885 4.831090 107.3614 4.915726 1.727142       6.892300 
1 1 1 -1  4  36 o 98.03895 3.448357 472.1616       33.04002 485.4683       47.21870 459.3966       46.24772 99.23032 4.876358 96.51731 4.911442 2.713013       6.921064 
1 1 1 -1  4  37 o 154.3755 4.261008 1172.522       64.32526 1129.000       108.1835 1196.324       80.00393 150.6971 7.356384 155.7234 5.256228 -5.026291      9.041256 
1 1 1 -1  4  38 o 130.1776 3.512598 833.0519       44.71714 842.9764       63.73935 823.4327       62.75139 130.6581 4.993038 129.1369 4.973698 1.521240       7.047560 
1 1 1 -1  4  39 o 105.1504 3.444518 543.9929       35.40456 568.5245       51.07528 521.3026       49.12111 107.2166 4.879578 102.6529 4.902844 4.563774       6.917236 
1 1 1 -1  4  40 o 92.78556 3.511307 424.0892       31.83253 404.0840       44.82408 444.4443       45.21444 90.24281 5.095189 94.70439 4.894142 -4.461578      7.064954 
1 1 1 -1  4  41 o 102.8646 3.464128 521.4707       34.82940 522.9578       49.62097 520.0265       48.89938 102.6414 4.953596 102.3698 4.894238 0.2716141      6.963597 
1 1 1 -1  4  42 o 103.9164 3.519368 532.6804       35.74604 554.8719       51.87341 512.6134       49.32769 105.6331 5.031398 101.5390 4.978261 4.094154       7.077998 
1 1 1 -1  4  43 f 112.2779 4.113082 624.1515       45.12668 628.0000       79.94503 622.3518       54.66901 111.2195 7.385356 111.8065 5.008083 -0.5870209     8.923250 
1 1 1 -1  4  44 o 36.78565 7.897882 71.38523       27.58775 52.95000       49.13573 79.87207       33.33851 33.09446 11.90015 38.65287 8.983067 -5.558407      14.91003 
1 1 1 -1  4  45 o 40.44262 6.413355 84.25957       24.54191 98.65833       35.50984 71.09242       33.95720 43.04484 8.726997 36.28472 9.463945 6.760117       12.87349 
1 1 1 -1  4  46 o 78.65141 4.532413 308.6510       34.74554 304.7844       42.54005 316.4000       60.22177 77.75627 5.627361 78.10743 7.989322 -0.3511581     9.772229 
1 1 1 -1  4  47 o 115.8473 3.609798 665.2764       40.88319 644.3578       57.21275 687.1036       58.44197 113.2536 5.174683 116.9906 5.115863 -3.737038      7.276634 
1 1 1 -1  4  48 o 41.59660 7.032006 91.11403       27.61204 71.43919       33.56547 132.3000       48.56370 35.90811 9.430453 48.50859 10.53058 -12.60048      14.13600 
1 1 1 -1  4  49 o 47.09982 6.009702 114.7955       27.07606 114.7955       27.07606 0.000000       0.000000 47.09982 6.009702 ?        ?        ?              ?        
1 1 1 -1  4  50 o 54.79881 4.532238 151.7599       24.09308 142.1503       28.03584 178.9000       47.11574 52.62289 5.525242 57.31598 8.668662 -4.693089      10.27979 
1 1 1 -1  4  51 o 98.16576 4.026647 482.7718       38.60886 462.8014       47.11440 523.6000       67.36594 95.47568 5.059504 100.0326 6.922768 -4.556915      8.574573 
1 1 1 -1  4  52 o 58.03832 4.495447 170.5241       25.33945 157.0702       29.36996 209.7000       50.11755 55.23238 5.505814 61.95981 8.486444 -6.727432      10.11601 
1 1 1 -1  4  53 o 48.94172 5.073339 122.9513       23.95199 101.5525       27.34432 193.5000       49.64968 43.73988 6.591336 59.02642 8.867207 -15.28654      11.04867 
1 1 1 -1  4  54 o 25.00431 8.447029 33.30991       24.54288 -8.001359      29.00714 137.4000       46.04425 17.72299 7.974145 48.61853 10.00906 -30.89554      12.79720 
1 1 1 -1  4  55 o 27.43290 7.559932 41.90711       20.94934 51.23076       23.63720 7.763000       45.23358 30.17593 7.908362 23.60092 10.31901 6.575012       13.00093 
1 1 1 -1  4  56 o 38.02983 6.018656 76.92683       21.65935 63.38436       24.10051 133.8000       49.38909 33.74310 7.492098 46.66851 10.99398 -12.92542      13.30410 
1 1 1 -1  4  57 o 14.19470 6.382710 -6.149630      18.55207 -32.72700      25.14293 25.61349       27.48663 13.43333 6.467945 23.20009 8.797894 -9.766760      10.91958 
1 1 1 -1  4  58 o 35.05207 6.857928 67.24918       22.68648 80.63000       35.18431 57.72728       29.68036 36.76068 9.655583 31.38793 9.120398 5.372755       13.28202 
1 1 1 -1  4  59 o 63.33440 4.603945 205.2883       28.34655 182.4000       44.37690 221.0643       36.84245 57.12482 8.168735 64.87399 5.865213 -7.749165      10.05629 
1 1 1 -1  4  60 o 77.67604 5.503284 314.5386       41.57135 331.4000       62.68382 301.3000       55.54324 76.64099 8.498473 73.80661 7.806463 2.834381       11.53971 
1 1 1 -1  4  61 o 40.70311 5.526066 87.48536       21.44847 97.48834       29.65887 76.51870       31.05467 41.78846 7.527730 36.06980 8.860853 5.718662       11.62675 
1 1 1 -1  4  62 o 53.43568 5.418385 150.1315       27.94914 156.9486       33.01810 132.9000       52.49442 53.95426 6.374993 44.71061 11.81793 9.243652       13.42773 
1 1 1 -1  4  63 o 31.27909 6.783797 54.66533       20.17073 53.42686       28.01352 55.99870       29.06708 29.82112 8.912848 30.42899 9.075177 -0.6078758     12.71997 
1 1 1 -1  5  1  o 548.0416 11.80259 14755.69       633.1359 13760.00       1042.729 15337.15       796.8426 526.9059 20.25545 557.9849 14.60217 -31.07892      24.97011 
1 1 1 -1  5  2  o 1123.496 20.90476 62532.54       2298.915 57720.00       4334.049 64416.70       2711.854 1059.560 41.87143 1137.844 24.34880 -78.28320      48.43636 
1 1 1 -1  5  3  o 351.3535 7.701907 6052.209       264.8797 6042.000       458.4283 6057.326       324.5365 350.1941 13.39857 351.2232 9.448629 -1.029114      16.39507 
1 1 1 -1  5  4  o 276.7336 7.607566 3757.499       205.8741 3760.000       291.2238 3755.000       291.0761 276.4741 10.78200 276.2897 10.78376 0.1843872      15.24930 
1 1 1 -1  5  5  o 356.9107 9.610825 6258.163       335.4525 6043.000       462.9562 6496.000       486.7398 350.0608 13.53660 362.9249 13.72642 -12.86411      19.27833 
1 1 1 -1  5  6  o 489.9909 10.62731 11800.38       509.7036 10969.71       590.1330 14240.00       1011.338 471.8123 12.79014 535.3178 19.33269 -63.50549      23.18060 
1 1 1 -1  5  7  o 230.9151 5.298662 2612.852       119.7636 2498.797       142.2139 2891.000       222.0872 225.6610 6.445021 242.3986 9.377935 -16.73761      11.37910 
1 1 1 -1  5  8  o 91.27580 3.567713 408.6321       31.81372 408.6321       31.81372 0.000000       0.000000 91.27580 3.567713 ?        ?        ?              ?        
1 1 1 -1  5  9  o 206.3501 4.183998 2085.936       84.50890 2031.652       117.2520 2144.620       121.9115 203.4669 5.893563 209.0450 5.964068 -5.578110      8.384759 
1 1 1 -1  5  10 o 241.1412 4.773468 2849.218       112.6709 2662.110       152.2145 3075.985       167.5715 232.8632 6.684960 250.3065 6.845889 -17.44337      9.568432 
1 1 1 -1  5  11 o 202.7358 5.823391 2016.155       115.4416 1927.000       158.8295 2116.000       168.0813 197.9731 8.214159 207.4615 8.293767 -9.488403      11.67300 
1 1 1 -1  5  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  5  13 o 417.4989 9.078597 8549.466       371.0055 8330.036       446.1979 9041.000       667.8143 411.7381 11.08142 428.0617 15.96632 -16.32361      19.43505 
1 1 1 -1  5  14 o 285.9242 6.399851 4004.869       179.1129 3904.009       215.8308 4228.000       321.0214 282.1270 7.823156 293.2836 11.20313 -11.15659      13.66425 
1 1 1 -1  5  15 o 147.6345 3.365994 1066.995       48.64156 1034.868       67.67780 1101.324       69.95794 145.2983 4.765047 149.8955 4.774154 -4.597168      6.745236 
1 1 1 -1  5  16 o 696.1073 12.91998 23807.15       880.3273 23464.85       1231.263 24165.13       1259.147 689.5240 18.25903 699.6989 18.40077 -10.17493      25.92259 
1 1 1 -1  5  17 o 537.5247 11.60528 14187.13       610.6049 12910.00       987.0956 14978.72       777.1318 510.8018 19.77981 551.6454 14.40457 -40.84366      24.46901 
1 1 1 -1  5  18 o 584.4652 12.58187 16787.09       719.7969 16390.00       1224.452 16996.77       889.7715 574.7618 21.80399 587.2839 15.49186 -12.52209      26.74718 
1 1 1 -1  5  19 o 371.3498 10.02559 6773.110       364.0843 6817.000       517.2133 6730.000       512.6036 371.8831 14.23507 369.5057 14.19918 2.377441       20.10607 
1 1 1 -1  5  20 o 322.9652 7.191384 5113.422       227.3393 5112.000       393.5215 5114.135       278.5182 322.1393 12.50386 322.7321 8.824963 -0.5928345     15.30446 
1 1 1 -1  5  21 o 334.4914 6.420654 5484.397       210.2182 5422.028       294.9917 5548.751       299.6500 332.2003 9.080527 336.0575 9.117925 -3.857147      12.86828 
1 1 1 -1  5  22 o 382.9465 7.279543 7193.933       272.8654 7286.619       388.8246 7103.994       383.0207 384.8140 10.33213 379.9624 10.30806 4.851593       14.59483 
1 1 1 -1  5  23 o 171.5324 3.782199 1441.074       63.50338 1456.378       90.26772 1426.079       89.35394 172.2945 5.358994 170.4909 5.361007 1.803574       7.580185 
1 1 1 -1  5  24 o 214.6140 4.427276 2256.817       93.00385 2312.838       133.4172 2203.861       129.7155 217.0432 6.286619 211.8665 6.261817 5.176758       8.873101 
1 1 1 -1  5  25 o 214.2013 5.121530 2249.452       107.3811 2321.000       190.4432 2216.102       130.0205 217.0064 8.985192 212.4248 6.260003 4.581604       10.95086 
1 1 1 -1  5  26 o 173.1490 4.435050 1470.345       75.10470 1436.000       129.3340 1487.820       92.25316 170.7463 7.758748 174.0867 5.420495 -3.340424      9.464667 
1 1 1 -1  5  27 o 220.7298 4.527226 2388.477       97.81364 2383.194       138.1517 2393.787       138.5077 220.2086 6.416220 220.6975 6.418477 -0.4889069     9.075501 
1 1 1 -1  5  28 o 169.2871 3.784314 1404.348       62.70718 1419.697       89.12830 1389.303       88.24104 170.0173 5.362406 168.1852 5.367017 1.832108       7.586849 
1 1 1 -1  5  29 o 168.0554 4.391134 1385.699       72.17109 1374.881       87.95136 1408.000       126.2765 167.2930 5.378031 168.9755 7.654585 -1.682571      9.354993 
1 1 1 -1  5  30 o 245.5152 5.733110 2959.901       137.7764 3032.120       171.1648 2827.000       232.1952 248.1823 7.053071 238.9428 9.949573 9.239487       12.19589 
1 1 1 -1  5  31 o 277.6465 5.497884 3785.345       149.4149 3782.090       211.3900 3788.595       211.2193 276.9528 7.805593 277.1945 7.792449 -0.2417297     11.02948 
1 1 1 -1  5  32 o 142.0025 4.140335 989.8118       57.48753 1031.584       72.13454 917.1000       95.17062 144.8618 5.095187 136.2746 7.159922 8.587204       8.787799 
1 1 1 -1  5  33 o 165.0403 4.425116 1337.588       71.42146 1328.145       87.07774 1357.000       124.8469 164.3175 5.421409 165.6677 7.720222 -1.350220      9.433638 
1 1 1 -1  5  34 o 439.4442 8.381723 9555.069       360.5316 9428.932       504.9105 9686.285       514.9758 433.9940 11.89691 439.8177 11.97325 -5.823730      16.87884 
1 1 1 -1  5  35 o 186.0694 4.724173 1702.418       85.97171 1603.000       142.4208 1759.414       107.8350 179.7260 8.116680 188.9284 5.838181 -9.202423      9.998242 
1 1 1 -1  5  36 o 207.6311 5.081632 2121.814       103.2766 1903.000       166.5924 2258.403       131.6207 195.3801 8.733085 213.7987 6.296315 -18.41867      10.76617 
1 1 1 -1  5  37 o 131.8068 3.509998 853.5870       45.24434 824.3530       63.14991 884.4205       64.85445 129.2682 5.000284 133.9108 4.956418 -4.642624      7.040520 
1 1 1 -1  5  38 o 123.0785 3.481114 744.7875       41.89577 730.0641       58.93349 759.8312       59.57078 121.5676 4.963092 124.0358 4.916332 -2.468231      6.985886 
1 1 1 -1  5  39 o 200.5612 4.339552 1982.370       85.19187 2025.608       122.2132 1941.500       118.8175 201.9246 6.190646 197.7047 6.147313 4.219986       8.724308 
1 1 1 -1  5  40 o 103.5624 3.451235 528.1504       34.93621 532.0626       50.04714 524.4321       48.79133 103.6112 4.949071 102.8873 4.858511 0.7239380      6.935304 
1 1 1 -1  5  41 o 79.20961 3.684131 309.8254       28.48576 319.7554       40.98459 300.5457       39.61996 80.10743 5.255900 77.65717 5.242995 2.450264       7.423846 
1 1 1 -1  5  42 o 138.2440 3.654902 942.9808       49.41367 917.7891       69.45056 968.8077       70.32052 135.8062 5.234361 139.5689 5.156255 -3.762650      7.347483 
1 1 1 -1  5  43 o 73.71368 3.950927 269.2618       28.40297 245.3761       40.00832 293.5324       40.32933 69.81956 5.909646 76.56793 5.416013 -6.748367      8.016053 
1 1 1 -1  5  44 o 36.88432 6.877829 70.71826       23.91806 49.59764       34.33065 90.63934       33.34151 30.96537 9.970156 41.35484 8.520314 -10.38947      13.11487 
1 1 1 -1  5  45 o 75.41296 4.504908 283.4831       33.10199 291.8000       58.60117 279.5859       40.11485 75.03643 8.107193 74.54758 5.537037 0.4888535      9.817605 
1 1 1 -1  5  46 o 68.11751 4.159165 231.0858       27.59917 253.6617       39.66582 209.8991       38.42596 70.82836 5.771391 64.23138 6.188341 6.596977       8.461946 
1 1 1 -1  5  47 o 21.92275 8.491413 17.91406       25.97285 5.284241       31.28070 45.95000       46.60532 20.88461 8.846195 30.96949 11.51637 -10.08488      14.52178 
1 1 1 -1  5  48 o 27.36965 9.627135 37.62339       31.99429 37.62339       31.99429 0.000000       0.000000 27.36965 9.627135 ?        ?        ?              ?        
1 1 1 -1  5  49 o 18.02597 7.443943 6.961133       21.31974 22.23148       24.40673 -42.21000      43.79659 22.39879 8.333076 18.75983 8.894450 3.638954       12.18817 
1 1 1 -1  5  50 o 37.62947 7.016459 75.64559       24.89309 92.51080       30.88741 44.39000       42.04839 41.27441 7.933450 29.53673 10.94729 11.73767       13.51972 
1 1 1 -1  5  51 o 35.69162 6.589949 67.79836       22.17469 43.00607       25.65203 141.1000       44.10829 28.00058 8.563620 50.22155 9.315633 -22.22097      12.65372 
1 1 1 -1  5  52 o 43.18704 5.580535 96.71604       23.03948 84.82802       26.49348 133.6000       46.66626 39.74826 7.068543 48.09578 10.22768 -8.347515      12.43261 
1 1 1 -1  5  53 o 76.23302 3.847153 291.6114       28.61427 270.1491       32.74185 361.0000       58.87207 72.97710 4.607154 82.23320 7.392844 -9.256104      8.710914 
1 1 1 -1  5  54 o 40.26182 5.724625 84.96371       21.92537 78.32416       24.90962 107.8000       46.19668 38.05915 6.942260 42.09977 11.06680 -4.040623      13.06404 
1 1 1 -1  5  55 o 30.29751 7.102196 50.62436       20.69359 53.03465       23.20443 41.26000       45.73776 30.76857 7.718749 28.49479 11.20121 2.273777       13.60317 
1 1 1 -1  5  56 o 62.74027 4.080820 199.2902       24.92511 201.9941       28.06679 189.2000       54.21812 62.89095 4.590924 56.60996 10.15788 6.280991       11.14716 
1 1 1 -1  5  57 o 21.69811 8.017652 22.69881       22.52388 17.11193       26.02382 39.38000       44.96759 21.04491 8.392774 27.92944 11.06673 -6.884529      13.88925 
1 1 1 -1  5  58 o 42.36565 5.118583 93.36872       20.79631 69.76524       28.53888 120.0930       30.36701 34.83293 8.456355 47.15187 6.773762 -12.31894      10.83484 
1 1 1 -1  5  59 o 35.13783 6.983327 67.88924       23.17197 63.38507       29.12330 75.66000       38.25297 32.96079 8.843882 35.12281 10.39500 -2.162025      13.64809 
1 1 1 -1  5  60 o 32.26831 7.533712 58.65282       23.36096 50.94000       36.14642 64.18515       30.61346 29.37835 10.24010 32.90787 9.165670 -3.529524      13.74296 
1 1 1 -1  5  61 o 22.31586 9.291459 16.91899       33.59877 20.64000       47.27135 13.12000       47.76414 25.08935 10.75812 24.22243 10.59694 0.8669262      15.10074 
1 1 1 -1  5  62 o 18.03487 7.684444 5.992059       23.84468 44.89000       47.29432 -7.265567      27.61077 28.31927 11.30742 17.02733 7.709322 11.29194       13.68544 
1 1 1 -1  5  63 o 22.17419 7.506881 26.89320       19.38406 27.50388       26.72081 26.21486       28.16236 23.04769 8.689182 22.93278 8.852998 0.1149082      12.40474 
1 1 1 -1  6  1  o 737.4545 13.69261 26775.56       988.3887 26848.89       1402.085 26703.12       1393.540 735.9773 19.47985 734.0070 19.41308 1.970337       27.50150 
1 1 1 -1  6  2  o 81.10629 2.444521 322.3033       19.38468 353.7000       40.48675 312.9652       22.08000 84.83760 4.896291 79.90637 2.827460 4.931229       5.654042 
1 1 1 -1  6  3  o 236.8846 5.406353 2749.087       125.3567 2689.000       214.3355 2780.326       154.5452 233.8580 9.382490 238.0737 6.638379 -4.215729      11.49344 
1 1 1 -1  6  4  o 126.0033 3.411778 777.9402       42.04062 738.8000       71.57053 798.5598       51.94716 122.6374 5.980212 127.6277 4.163825 -4.990318      7.287000 
1 1 1 -1  6  5  o 427.8217 8.043750 8981.750       336.8431 8664.521       464.5381 9333.484       489.1504 419.4999 11.32350 435.3664 11.48844 -15.86646      16.13089 
1 1 1 -1  6  6  f 270.2593 7.470728 3586.838       197.4390 3533.000       276.3177 3643.000       282.2177 267.7680 10.56323 271.9001 10.62442 -4.132172      14.98199 
1 1 1 -1  6  7  o 549.5341 11.88550 14888.83       639.3203 14356.99       762.2934 16150.00       1173.874 538.4897 14.47547 567.4690 21.17070 -28.97925      25.64640 
1 1 1 -1  6  8  o 138.8108 3.648278 944.3575       49.52685 910.1614       59.10208 1025.000       90.76035 136.2256 4.438313 144.4132 6.436888 -8.187576      7.818705 
1 1 1 -1  6  9  o 162.7474 4.935063 1299.109       78.52553 1299.109       78.52553 0.000000       0.000000 162.7474 4.935063 ?        ?        ?              ?        
1 1 1 -1  6  10 o 133.2996 4.256618 871.2070       55.46804 904.2000       79.82312 840.4000       77.13331 135.6821 6.025383 130.7967 6.041065 4.885391       8.532275 
1 1 1 -1  6  11 o 649.7027 12.08153 20764.40       768.3212 20354.71       1070.924 21198.93       1102.923 641.4182 17.07252 654.5281 17.23012 -13.10999      24.25589 
1 1 1 -1  6  12 o 303.7621 6.750613 4521.652       200.7165 4380.788       240.8364 4842.000       363.1897 298.7867 8.242707 313.7018 11.84927 -14.91510      14.43425 
1 1 1 -1  6  13 o 224.4511 6.387013 2469.981       140.1793 2630.000       207.6520 2336.000       190.0080 231.3996 9.186102 218.0846 8.919860 13.31493       12.80423 
1 1 1 -1  6  14 o 255.3890 5.033195 3193.951       125.8207 2974.223       169.7930 3461.552       187.3788 246.2797 7.050698 265.6954 7.211605 -19.41571      10.08561 
1 1 1 -1  6  15 f 643.8038 11.96748 20351.83       754.1581 19981.30       1051.116 20744.93       1082.665 636.6694 16.88161 648.6786 17.06615 -12.00928      24.00505 
1 1 1 -1  6  16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  6  17 o 460.2144 8.643092 10385.16       389.3459 9783.712       527.6087 11104.29       576.9271 446.1265 12.09340 475.2481 12.41270 -29.12164      17.32990 
1 1 1 -1  6  18 o 243.9223 6.948616 2918.088       165.7346 2831.000       230.0876 3012.000       238.9308 239.9969 9.815190 247.5556 9.880217 -7.558716      13.92683 
1 1 1 -1  6  19 o 341.1984 7.551610 5707.306       252.2044 5868.000       445.8444 5631.688       305.8409 345.1122 13.22273 338.6627 9.234802 6.449463       16.12830 
1 1 1 -1  6  20 o 268.5296 5.289132 3532.525       139.0217 3559.897       197.5448 3505.666       195.6813 269.3312 7.500599 267.2716 7.487183 2.059601       10.59797 
1 1 1 -1  6  21 o 318.0538 6.135872 4958.420       191.0218 5031.962       272.5954 4887.462       267.7608 320.0376 8.709943 315.4095 8.681188 4.628082       12.29740 
1 1 1 -1  6  22 o 326.6476 6.295095 5231.689       201.2742 5376.101       289.2961 5096.207       280.2106 330.6930 8.945620 321.9706 8.899775 8.722443       12.61864 
1 1 1 -1  6  23 o 189.7710 4.041825 1764.097       75.07816 1857.698       109.1163 1679.945       103.4622 194.5687 5.735681 185.0191 5.719804 9.549637       8.100259 
1 1 1 -1  6  24 o 453.6670 8.550417 10118.77       379.6913 10304.07       543.9337 9942.674       530.2568 456.5778 12.18185 448.5276 12.08891 8.050201       17.16214 
1 1 1 -1  6  25 o 128.0068 3.300325 803.0739       41.31746 784.3501       57.59420 822.9277       59.30685 126.4151 4.662497 129.4888 4.686878 -3.073715      6.611028 
1 1 1 -1  6  26 o 103.9057 3.153085 529.2746       32.03159 538.4595       45.10803 519.9321       45.49344 104.7214 4.410476 102.8916 4.528220 1.829826       6.321161 
1 1 1 -1  6  27 o 71.87955 3.992128 253.9791       27.97736 252.0000       50.40325 254.8604       33.63459 71.22501 7.334424 71.93388 4.804446 -0.7088699     8.767923 
1 1 1 -1  6  28 o 314.7943 7.065317 4871.818       217.7032 4964.000       382.8936 4827.782       264.6422 316.0482 12.40116 312.9005 8.648950 3.147736       15.11930 
1 1 1 -1  6  29 o 309.2661 6.018403 4697.534       182.1880 4773.777       260.4702 4624.501       254.9248 311.0915 8.562032 306.1987 8.513816 4.892731       12.07450 
1 1 1 -1  6  30 o 188.5176 4.730791 1744.440       87.22654 1753.783       107.0677 1726.000       150.4160 188.8833 5.797930 186.9610 8.239573 1.922318       10.07505 
1 1 1 -1  6  31 o 207.2224 6.206462 2112.716       125.7469 2112.716       125.7469 0.000000       0.000000 207.2224 6.206462 ?        ?        ?              ?        
1 1 1 -1  6  32 o 254.4528 5.917587 3182.796       147.3866 3137.698       179.2266 3277.000       259.0342 252.2593 7.266109 256.8380 10.32470 -4.578766      12.62521 
1 1 1 -1  6  33 o 148.5225 4.168367 1083.121       60.53892 1157.000       105.5051 1046.857       73.91856 153.0508 7.061607 145.8822 5.184851 7.168655       8.760650 
1 1 1 -1  6  34 o 342.1893 7.669724 5785.714       256.8930 5551.000       430.9502 5915.092       319.9549 331.7864 13.29667 345.0038 9.483545 -13.21744      16.33215 
1 1 1 -1  6  35 o 150.7784 4.217549 1117.286       62.18402 1260.000       111.7693 1053.306       74.83565 159.5130 7.176851 146.2281 5.236887 13.28493       8.884378 
1 1 1 -1  6  36 o 154.2377 3.725318 1167.978       56.24191 1201.093       80.59663 1136.547       78.52015 156.0716 5.283399 151.8134 5.292118 4.258194       7.478022 
1 1 1 -1  6  37 o 219.6338 4.604397 2374.605       98.98701 2390.692       140.5126 2358.756       139.4707 219.6368 6.543175 218.1655 6.538543 1.471283       9.250173 
1 1 1 -1  6  38 f 88.00667 3.502744 381.1801       30.11354 379.3889       42.53300 382.9804       42.64115 87.55058 4.983774 87.96751 4.972471 -0.4169312     7.040133 
1 1 1 -1  6  39 o 166.6216 3.888299 1366.676       63.41578 1323.324       88.30506 1412.844       91.12847 163.3840 5.529633 168.8287 5.521872 -5.444702      7.814596 
1 1 1 -1  6  40 o 174.6043 4.000280 1502.725       68.36777 1502.562       96.96983 1502.886       96.40591 173.8685 5.705556 173.9033 5.671145 -0.3480530E-01 8.044580 
1 1 1 -1  6  41 o 47.17132 5.128538 111.6317       23.29907 103.9618       33.36299 118.9331       32.55172 44.76683 7.902649 48.19113 7.114483 -3.424297      10.63333 
1 1 1 -1  6  42 o 146.2083 3.699217 1055.093       52.89798 1048.229       74.65664 1062.013       74.96239 145.1075 5.264932 146.0659 5.251649 -0.9584045     7.436352 
1 1 1 -1  6  43 o 55.38046 4.689781 153.2376       25.18353 150.5203       36.42890 155.7250       34.85313 54.20493 7.031495 55.30112 6.566813 -1.096188      9.621068 
1 1 1 -1  6  44 o 61.39975 4.418596 187.9007       26.37807 198.2910       37.65625 177.8900       36.96190 62.53918 6.234437 59.11608 6.494498 3.423100       9.002594 
1 1 1 -1  6  45 o 49.14998 6.139291 123.3092       28.89340 115.7938       35.28667 138.6000       50.33243 46.96797 7.959356 50.35389 10.55023 -3.385921      13.21585 
1 1 1 -1  6  46 o 26.42674 8.687976 35.48540       25.99626 17.64194       31.18364 76.14000       47.06977 23.18740 9.206795 37.13787 11.64142 -13.95047      14.84209 
1 1 1 -1  6  47 o 33.90820 9.489294 63.11961       32.72979 63.11961       32.72979 0.000000       0.000000 33.90820 9.489294 ?        ?        ?              ?        
1 1 1 -1  6  48 o 32.55546 8.461342 58.00075       27.20716 41.02224       32.73772 95.91000       48.91829 28.19634 9.749929 40.58539 11.68379 -12.38904      15.21749 
1 1 1 -1  6  49 o 59.41734 6.232594 182.5892       35.70948 139.7000       47.48792 238.4000       54.17115 49.78627 10.09064 66.53651 8.512386 -16.75024      13.20158 
1 1 1 -1  6  50 o 42.74467 5.452936 94.23209       22.29614 74.33588       25.40623 160.9000       46.50648 37.17546 7.242427 53.92886 9.136025 -16.75340      11.65846 
1 1 1 -1  6  51 f 48.99670 4.881660 122.4206       23.10091 115.5628       26.54862 143.8000       46.87572 47.17232 5.876838 50.33286 9.867464 -3.160534      11.48495 
1 1 1 -1  6  52 o 22.35839 7.837813 24.86309       21.19421 27.19256       24.62186 18.20000       41.64191 23.48706 8.426571 24.73814 10.32539 -1.251074      13.32745 
1 1 1 -1  6  53 o 48.29976 4.853570 119.4417       22.63557 117.9785       25.82018 124.3000       47.04896 47.63747 5.647097 45.73750 10.70049 1.899971       12.09918 
1 1 1 -1  6  54 o 33.33727 6.537119 59.89580       20.56889 67.55602       23.38571 33.72000       43.22945 35.22523 7.028976 27.15161 10.82074 8.073622       12.90329 
1 1 1 -1  6  55 o 82.86942 3.568557 344.3103       28.87846 348.5996       32.89683 329.9000       60.29702 83.09692 4.056742 77.45630 8.071307 5.640617       9.033446 
1 1 1 -1  6  56 o 29.73561 7.190266 49.04177       20.69598 55.06190       23.27999 26.35000       45.19746 31.33143 7.656882 26.00035 10.79694 5.331074       13.23638 
1 1 1 -1  6  57 o 33.27644 6.542804 60.18336       20.55123 53.60718       22.81770 88.44000       47.29826 30.88906 7.599662 37.18167 11.67171 -6.292610      13.92780 
1 1 1 -1  6  58 o 15.47265 7.136865 -14.15837      25.14750 -14.15837      25.14750 0.000000       0.000000 15.47265 7.136865 ?        ?        ?              ?        
1 1 1 -1  6  59 o 58.77817 4.224730 175.7686       24.14430 160.4888       33.34195 192.6149       35.00945 54.89008 6.320980 60.41596 5.999245 -5.525883      8.714684 
1 1 1 -1  6  60 o 62.26412 4.833968 199.7424       29.23039 199.8696       34.23204 199.4000       56.16328 61.66526 5.737157 57.48042 10.36337 4.184841       11.84544 
1 1 1 -1  6  61 o 18.64813 7.787783 8.979682       23.70823 1.693000       32.34481 17.44000       34.85243 19.65552 8.655687 22.60999 9.442348 -2.954466      12.80933 
1 1 1 -1  6  62 o 55.46832 4.775147 159.4507       25.67403 175.3000       40.09575 148.4365       33.42493 56.02935 7.499129 52.14897 6.702978 3.880375       10.05817 
1 1 1 -1  6  63 o 31.68021 8.050233 58.93435       25.01063 68.40000       48.71940 55.54710       29.14405 31.87751 11.78942 30.16842 9.107849 1.709087       14.89776 
1 1 1 -1  7  1  o 369.5902 7.003070 6698.583       253.3466 6782.261       361.8199 6618.098       354.8541 371.3812 9.962280 366.8683 9.890764 4.512878       14.03831 
1 1 1 -1  7  2  o 241.6300 4.763983 2860.174       112.6749 2782.083       156.5405 2944.127       162.3087 238.1015 6.723470 244.9378 6.776374 -6.836288      9.545904 
1 1 1 -1  7  3  o 346.5935 6.593128 5890.604       223.6754 5774.000       441.3415 5930.906       259.4664 341.8988 13.21263 347.6635 7.624579 -5.764618      15.25476 
1 1 1 -1  7  4  o 178.8757 4.318243 1567.383       75.60748 1506.000       128.3909 1599.971       93.54852 175.0168 7.512087 180.6068 5.297441 -5.590057      9.192080 
1 1 1 -1  7  5  o 233.7269 5.356288 2677.573       122.5403 2671.000       212.2093 2680.861       150.0935 232.9033 9.327426 233.6910 6.568174 -0.7877197     11.40797 
1 1 1 -1  7  6  o 150.1874 3.835452 1105.539       56.33792 1041.000       95.05747 1140.484       69.94643 145.5132 6.691784 152.4899 4.691753 -6.976730      8.172669 
1 1 1 -1  7  7  o 423.1336 11.33584 8828.793       469.0791 8417.000       641.1785 9303.000       688.0554 411.6294 15.94367 432.6483 16.27636 -21.01883      22.78422 
1 1 1 -1  7  8  o 152.6010 3.887521 1141.290       58.02066 1095.901       69.07906 1250.000       106.9081 149.4831 4.727094 159.4829 6.864491 -9.999771      8.334666 
1 1 1 -1  7  9  o 185.7201 5.528649 1691.773       100.3923 1623.000       138.4622 1768.000       145.7720 181.7031 7.803265 189.6535 7.869581 -7.950439      11.08247 
1 1 1 -1  7  10 o 384.8966 8.418236 7268.252       317.1549 7274.402       388.6950 7256.000       548.5919 384.6837 10.33219 383.3477 14.64704 1.335968       17.92456 
1 1 1 -1  7  11 o 226.7682 6.418804 2521.695       142.3329 2521.695       142.3329 0.000000       0.000000 226.7682 6.418804 ?        ?        ?              ?        
1 1 1 -1  7  12 o 303.7795 6.760499 4521.415       201.0219 4259.083       236.2778 5209.000       382.5259 294.6448 8.200503 325.4509 12.02866 -30.80606      14.55805 
1 1 1 -1  7  13 o 252.9554 4.995069 3133.355       123.6778 2904.382       166.4229 3415.800       184.8362 243.3714 6.993390 263.9348 7.161198 -20.56337      10.00951 
1 1 1 -1  7  14 o 300.8192 8.251241 4438.995       242.7284 0.000000       0.000000 4438.995       242.7284 ?        ?        300.8192 8.251241 ?              ?        
1 1 1 -1  7  15 o 319.9762 7.087653 5016.807       221.9864 4747.000       369.3632 5169.363       277.7430 310.6583 12.17042 324.5867 8.749889 -13.92838      14.98932 
1 1 1 -1  7  16 o 367.1939 8.068083 6609.465       289.9827 6374.389       345.8452 7166.000       532.1375 360.3333 9.814673 381.4245 14.27829 -21.09125      17.32621 
1 1 1 -1  7  17 o 281.2703 6.359986 3876.041       175.1001 3736.000       296.9269 3950.705       216.8108 275.6289 11.02799 283.7824 7.812729 -8.153473      13.51500 
1 1 1 -1  7  18 o 658.9639 12.25469 21343.71       790.4427 20462.77       1084.089 22343.65       1154.986 643.6503 17.22262 672.4796 17.56157 -28.82928      24.59730 
1 1 1 -1  7  19 o 216.6787 6.229284 2302.588       131.9804 2375.000       189.9504 2235.000       183.5131 219.8321 8.845669 213.2473 8.810767 6.584824       12.48501 
1 1 1 -1  7  20 o 462.7862 8.695622 10512.22       393.9012 10436.04       553.8952 10590.17       560.2805 460.2783 12.30526 463.6546 12.35640 -3.376282      17.43846 
1 1 1 -1  7  21 o 210.1011 6.209138 2165.942       127.5526 2153.000       179.9871 2179.000       180.7888 209.2005 8.809381 210.4638 8.795206 -1.263306      12.44833 
1 1 1 -1  7  22 o 521.5640 9.769978 13377.94       498.7781 13416.95       706.9489 13339.27       703.8190 520.8690 13.87843 519.3663 13.85700 1.502686       19.61192 
1 1 1 -1  7  23 o 264.4048 5.227277 3426.949       135.2854 3517.264       194.5684 3342.420       188.2338 267.5457 7.436861 260.8137 7.380706 6.731995       10.47768 
1 1 1 -1  7  24 o 599.8181 11.22591 17754.36       659.0939 18089.99       944.5370 17435.85       920.1406 602.6908 16.02521 591.7660 15.89980 10.92480       22.57457 
1 1 1 -1  7  25 f 310.5602 6.021495 4732.564       183.0444 4845.481       263.1278 4626.682       254.8006 313.7094 8.577106 306.5560 8.499705 7.153381       12.07525 
1 1 1 -1  7  26 o 187.5535 4.023376 1723.805       73.86216 1761.520       105.5672 1687.637       103.3809 189.3858 5.701252 185.3675 5.704498 4.018265       8.065084 
1 1 1 -1  7  27 o 195.4671 4.152050 1872.728       79.44061 1943.558       114.7655 1807.571       110.0733 198.8908 5.901618 191.8043 5.869875 7.086426       8.323733 
1 1 1 -1  7  28 o 230.7114 5.448777 2612.279       123.0479 2759.000       221.8233 2547.066       147.8865 236.2211 9.613702 227.5639 6.646369 8.657120       11.68749 
1 1 1 -1  7  29 o 168.9660 4.427717 1400.947       73.16629 1477.000       132.5235 1367.600       87.75277 173.0148 7.845761 166.8362 5.380625 6.178589       9.513521 
1 1 1 -1  7  30 o 153.0523 4.186985 1149.473       62.66706 1132.023       76.52528 1185.000       109.1900 151.7817 5.158352 155.0045 7.216487 -3.222870      8.870528 
1 1 1 -1  7  31 o 164.2055 5.377518 1325.574       86.31568 1325.574       86.31568 0.000000       0.000000 164.2055 5.377518 ?        ?        ?              ?        
1 1 1 -1  7  32 o 92.18144 4.010783 417.5293       36.10258 414.4356       43.67924 424.2000       64.13905 91.75104 4.881166 92.52393 7.137233 -0.7728958     8.646727 
1 1 1 -1  7  33 o 116.0865 3.848046 661.7204       43.66439 584.8000       69.94942 710.8290       55.89099 108.7609 6.601689 120.2191 4.759060 -11.45813      8.138240 
1 1 1 -1  7  34 f 103.9956 3.847818 531.3701       39.10085 559.5000       65.64123 515.8994       48.67979 106.3708 6.333133 102.3473 4.873214 4.023506       7.991044 
1 1 1 -1  7  35 o 138.3091 4.088528 940.2150       55.29006 931.5151       67.53395 957.9000       96.28703 137.5179 5.025597 139.0148 7.099718 -1.496902      8.698426 
1 1 1 -1  7  36 o 167.7983 3.867263 1382.963       63.51810 1401.199       90.44293 1365.214       89.22575 168.5074 5.490726 166.3279 5.487998 2.179474       7.763130 
1 1 1 -1  7  37 o 46.99952 4.952487 110.0550       22.44155 77.22666       31.02199 146.0953       32.50415 38.60556 8.444944 53.98035 6.268138 -15.37479      10.51697 
1 1 1 -1  7  38 o 186.0941 4.119682 1704.791       75.04167 1640.397       103.9019 1775.007       108.4971 181.9219 5.842460 189.2372 5.864485 -7.315231      8.278075 
1 1 1 -1  7  39 o 311.9902 6.178380 4836.907       188.6782 4755.138       263.6210 4922.783       270.1618 306.8691 8.785527 312.1643 8.850610 -5.295197      12.47072 
1 1 1 -1  7  40 o 146.9044 3.687736 1063.565       52.98555 1046.683       74.65516 1080.699       75.21374 145.2138 5.260948 147.5754 5.215073 -2.361557      7.407736 
1 1 1 -1  7  41 o 75.26745 3.754116 280.0276       27.57072 292.0687       40.27470 269.4081       37.82252 76.47153 5.415578 73.46329 5.295389 3.008247       7.574274 
1 1 1 -1  7  42 o 79.77121 3.699480 314.6088       28.80771 309.7270       41.00646 319.3658       40.47918 78.71616 5.353954 79.98418 5.198531 -1.268021      7.462543 
1 1 1 -1  7  43 o 136.4929 3.695780 920.5713       49.33129 916.3345       56.84246 933.5000       99.29621 135.9588 4.276611 135.4471 7.519075 0.5117188      8.650196 
1 1 1 -1  7  44 o 83.27732 3.765815 343.4607       30.61729 348.7602       35.42083 327.8000       60.89023 83.75919 4.335113 79.77742 7.901293 3.981766       9.012416 
1 1 1 -1  7  45 o 90.09891 3.669498 402.0890       32.29407 393.7929       37.12297 427.9000       65.47990 88.97386 4.275105 91.33100 7.387598 -2.357140      8.535404 
1 1 1 -1  7  46 o 55.99183 5.346030 158.5748       28.94434 158.5748       28.94434 0.000000       0.000000 55.99183 5.346030 ?        ?        ?              ?        
1 1 1 -1  7  47 o 36.14895 8.068661 70.46678       27.82565 66.12068       33.46102 80.21000       50.10030 34.60938 9.560905 37.58616 12.03872 -2.976776      15.37341 
1 1 1 -1  7  48 o 36.53597 9.254350 74.32954       33.12698 75.06000       45.05563 73.47000       48.87428 36.18528 11.39617 35.86282 11.91749 0.3224602      16.48936 
1 1 1 -1  7  49 o 29.03253 7.562430 45.77440       21.70145 44.29446       24.66319 50.85000       45.67420 28.49554 8.323602 31.16318 11.43403 -2.667643      14.14282 
1 1 1 -1  7  50 o 26.85772 8.524663 38.89918       25.16644 35.98584       30.69820 44.87000       43.94755 26.54531 9.421653 29.74769 11.15879 -3.202385      14.60432 
1 1 1 -1  7  51 o 37.47550 6.145380 73.92278       21.76185 56.91076       25.02458 126.7000       44.07702 32.10250 7.994407 47.12963 9.871359 -15.02713      12.70253 
1 1 1 -1  7  52 o 19.07299 8.003775 7.071516       25.22530 -5.492098      31.88807 28.08000       41.23521 18.99503 8.467037 26.18830 10.52353 -7.193270      13.50686 
1 1 1 -1  7  53 o 42.11451 5.275177 91.83698       21.27005 66.71586       23.75306 193.5000       47.78390 34.99218 7.175976 59.18928 8.490474 -24.19710      11.11678 
1 1 1 -1  7  54 o 33.47950 6.412470 60.27269       20.24920 71.03777       22.83302 20.62000       43.82190 36.29126 6.673537 25.16023 10.55316 11.13102       12.48621 
1 1 1 -1  7  55 o 28.68535 7.162431 45.56481       20.04816 51.46233       22.63878 24.13000       43.15965 30.31597 7.634682 25.42677 10.55405 4.889200       13.02599 
1 1 1 -1  7  56 o 42.37587 5.289294 93.56380       21.46291 93.21021       24.23420 94.85000       46.22015 41.89806 6.087162 38.81310 11.41047 3.084957       12.93261 
1 1 1 -1  7  57 o 48.29693 5.446323 121.8256       25.29867 121.8256       25.29867 0.000000       0.000000 48.29693 5.446323 ?        ?        ?              ?        
1 1 1 -1  7  58 o 37.43980 6.829197 76.49089       24.10518 72.56702       27.97300 87.81000       47.51034 35.68843 8.182612 36.94749 11.71105 -1.259060      14.28649 
1 1 1 -1  7  59 o 19.58202 7.934358 13.08788       23.65588 24.72497       26.94263 -26.07000      49.42279 22.81586 8.696637 20.75224 9.717318 2.063629       13.04062 
1 1 1 -1  7  60 o 46.07082 4.899970 109.9643       21.75803 103.8829       30.06173 116.6550       31.53190 43.34565 7.347521 46.05894 7.232086 -2.713287      10.30966 
1 1 1 -1  7  61 o 28.20590 7.223841 44.86001       20.02964 53.99876       27.75602 34.92979       28.93299 30.22542 8.830427 25.24149 9.124435 4.983932       12.69771 
1 1 1 -1  7  62 o 11.25785 5.594568 -52.68641      23.90352 -52.68641      23.90352 0.000000       0.000000 11.25785 5.594568 ?        ?        ?              ?        
1 1 1 -1  8  1  o 213.3778 4.300884 2230.475       89.82832 2295.747       129.3104 2169.600       124.8783 216.2843 6.114183 210.2571 6.074152 6.027161       8.618501 
1 1 1 -1  8  2  o 434.5615 8.173309 9275.170       347.6606 9319.830       493.6069 9231.206       489.7483 434.6706 11.61192 432.6079 11.57611 2.062653       16.39643 
1 1 1 -1  8  3  o 425.4313 9.259142 8899.345       385.5728 8568.000       650.3604 9078.927       478.7908 415.2173 16.03205 429.0373 11.41117 -13.81992      19.67846 
1 1 1 -1  8  4  o 286.2681 5.540003 4017.466       155.2348 3782.000       298.7005 4104.595       181.6997 276.8459 11.04496 289.2727 6.417124 -12.42676      12.77382 
1 1 1 -1  8  5  o 429.6273 9.346472 9075.574       393.0481 9072.000       680.5979 9077.363       481.4478 427.2306 16.30497 429.0164 11.47517 -1.785858      19.93819 
1 1 1 -1  8  6  o 302.8516 5.826807 4496.556       172.7296 4555.000       349.0140 4477.598       198.7807 303.7929 11.75926 302.1270 6.721690 1.665924       13.54479 
1 1 1 -1  8  7  o 424.8330 8.005945 8858.767       332.9178 9190.000       681.8599 8755.090       381.4785 430.4789 16.21115 422.1380 9.232289 8.340973       18.65573 
1 1 1 -1  8  8  o 378.0443 8.284140 7013.186       306.5465 6436.000       500.1923 7360.376       387.9385 360.9583 14.18470 386.8820 10.25324 -25.92371      17.50241 
1 1 1 -1  8  9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  10 o 325.2695 12.55814 5208.000       399.0783 5208.000       399.0783 0.000000       0.000000 325.2695 12.55814 ?        ?        ?              ?        
1 1 1 -1  8  11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  12 o 580.9173 12.51833 16574.83       711.8149 15771.76       840.0220 18620.00       1340.537 565.9980 15.17615 612.9362 22.38139 -46.93817      27.04149 
1 1 1 -1  8  13 o 623.9119 16.48082 19182.36       1005.606 19820.00       1455.495 18600.00       1390.981 631.9606 23.57091 612.2896 23.25134 19.67096       33.10910 
1 1 1 -1  8  14 o 450.9557 9.803842 9975.362       432.7492 9604.000       725.1411 10180.78       539.3149 441.1979 16.82206 455.1440 12.11641 -13.94614      20.73135 
1 1 1 -1  8  15 o 192.2673 4.694271 1810.184       88.34455 1829.602       108.0389 1771.000       153.4746 193.1859 5.719748 189.8870 8.277127 3.298950       10.06113 
1 1 1 -1  8  16 o 221.4529 5.231890 2401.868       113.4087 2409.000       198.7000 2398.423       138.1143 221.4275 9.187654 221.1634 6.386666 0.2641144      11.18939 
1 1 1 -1  8  17 o 277.0446 6.246282 3760.553       169.3860 3669.115       204.5618 3960.000       302.1166 273.4745 7.649417 283.7719 10.89700 -10.29745      13.31383 
1 1 1 -1  8  18 o 226.1760 6.568095 2509.114       145.2553 2400.000       199.9684 2631.000       211.3475 220.9560 9.266473 231.3538 9.352126 -10.39780      13.16548 
1 1 1 -1  8  19 o 618.7593 11.53449 18828.65       698.5966 18548.41       976.0508 19123.00       1000.326 612.4584 16.29580 621.8184 16.44953 -9.360046      23.15470 
1 1 1 -1  8  20 o 391.4398 7.422112 7516.377       284.3798 7320.483       395.0706 7727.020       409.6743 385.7247 10.47353 396.2785 10.57110 -10.55377      14.88096 
1 1 1 -1  8  21 o 260.5934 7.263433 3334.530       185.0920 3533.000       271.4206 3162.000       253.0619 267.7910 10.37440 253.3432 10.22597 14.44780       14.56704 
1 1 1 -1  8  22 f 177.4358 3.848890 1542.105       66.84715 1567.164       95.15990 1517.693       93.92450 178.7157 5.446180 175.8683 5.462758 2.847397       7.713793 
1 1 1 -1  8  23 o 285.3649 5.579664 3993.255       155.8529 4068.582       223.0855 3921.438       217.8270 287.6492 7.930794 282.4030 7.887911 5.246246       11.18555 
1 1 1 -1  8  24 o 226.6997 4.611476 2518.925       102.3286 2593.286       147.2708 2449.512       142.2869 229.7571 6.555196 223.2970 6.516893 6.460083       9.243403 
1 1 1 -1  8  25 o 211.5991 4.375763 2194.487       90.63039 2192.652       127.9824 2196.333       128.3598 211.2671 6.195577 211.4428 6.208699 -0.1757660     8.771152 
1 1 1 -1  8  26 o 336.3331 6.471974 5555.656       213.0652 5523.313       300.0920 5588.533       302.5627 334.6414 9.170185 336.6068 9.191639 -1.965363      12.98378 
1 1 1 -1  8  27 o 154.9762 3.596188 1176.831       54.55239 1131.119       75.42345 1226.978       78.99808 151.7635 5.084478 158.0675 5.112571 -6.303940      7.210430 
1 1 1 -1  8  28 o 164.6078 3.734340 1327.891       60.16867 1285.824       83.62541 1373.044       86.63719 161.7842 5.287857 167.1854 5.300893 -5.401184      7.487382 
1 1 1 -1  8  29 o 162.8574 4.284155 1301.398       68.23412 1327.926       84.89977 1253.000       114.6731 164.4007 5.282759 159.3938 7.369889 5.006958       9.067679 
1 1 1 -1  8  30 o 266.4929 7.550119 3500.729       196.7468 3420.000       276.1104 3584.000       280.4237 262.4313 10.77172 268.6910 10.68371 -6.259766      15.17141 
1 1 1 -1  8  31 o 179.4798 4.643272 1581.847       81.50441 1675.000       148.2111 1541.464       97.58476 184.0379 8.248449 177.0313 5.638714 7.006622       9.991597 
1 1 1 -1  8  32 o 213.6606 5.145657 2242.374       107.6147 2093.000       176.8136 2330.265       135.6286 205.5186 8.809836 217.5040 6.377450 -11.98534      10.87589 
1 1 1 -1  8  33 o 223.7186 6.553371 2468.170       143.3523 2391.000       197.0121 2555.000       208.9782 219.3879 9.194709 226.7102 9.437885 -7.322296      13.17636 
1 1 1 -1  8  34 o 134.5295 4.074765 889.2454       53.59513 897.6342       65.59628 872.4000       92.95454 135.0340 4.971321 132.6986 7.183237 2.335419       8.735727 
1 1 1 -1  8  35 o 87.53502 3.900306 376.9898       33.33456 324.1000       52.97371 411.6624       42.89114 80.70019 6.768554 91.35806 4.813374 -10.65787      8.305533 
1 1 1 -1  8  36 o 165.3064 4.411248 1345.038       71.31307 1330.315       87.08905 1375.000       124.2379 164.1588 5.427386 166.1942 7.657742 -2.035461      9.386028 
1 1 1 -1  8  37 o 118.2223 3.409885 687.0595       39.41771 678.4883       55.55891 695.7465       55.93307 117.2171 4.852850 118.7072 4.823817 -1.490143      6.842468 
1 1 1 -1  8  38 o 145.2963 3.642442 1038.840       51.76197 1041.997       73.28259 1035.696       73.12263 145.1197 5.167279 144.6783 5.171796 0.4413757      7.310831 
1 1 1 -1  8  39 o 96.60220 3.456262 459.5909       32.62867 434.5263       45.84718 485.3150       46.44648 93.60052 5.022517 98.98729 4.808040 -5.386765      6.952908 
1 1 1 -1  8  40 o 74.47673 4.384415 274.9665       31.82094 271.8683       39.03903 281.1000       54.92883 73.80161 5.442430 74.35876 7.656076 -0.5571518     9.393378 
1 1 1 -1  8  41 o 108.6471 3.510782 582.2390       37.28701 565.5715       42.61246 636.7000       77.02714 106.9336 4.078620 112.3291 7.041011 -5.395569      8.137012 
1 1 1 -1  8  42 o 124.4887 3.565042 765.0037       43.39635 765.9216       49.99828 762.2000       87.37992 124.3881 4.112134 122.5975 7.314812 1.790680       8.391432 
1 1 1 -1  8  43 o 19.75477 7.832667 11.67022       22.53945 5.520346       25.65750 32.46000       47.17438 19.43385 8.107684 29.23581 11.41012 -9.801966      13.99733 
1 1 1 -1  8  44 o 56.25928 4.616994 158.3060       25.20144 127.3468       28.42098 272.2000       54.51224 50.05780 5.914536 72.63376 7.788932 -22.57596      9.780041 
1 1 1 -1  8  45 o 50.08464 5.882149 127.7125       28.28778 127.7125       28.28778 0.000000       0.000000 50.08464 5.882149 ?        ?        ?              ?        
1 1 1 -1  8  46 o 68.26010 4.123866 232.3823       27.42504 223.8954       31.22797 261.0000       57.34380 66.77296 4.810133 70.33556 8.501533 -3.562592      9.767981 
1 1 1 -1  8  47 o 64.84428 4.799984 211.7963       30.25015 194.7588       35.48528 257.1000       57.86456 61.69928 5.949423 69.37205 8.713351 -7.672768      10.55074 
1 1 1 -1  8  48 o 86.02524 3.666651 368.6110       30.80381 334.8846       34.52908 500.1000       68.17802 81.70467 4.332989 97.92603 7.162324 -16.22137      8.371002 
1 1 1 -1  8  49 o 43.01573 6.263100 96.72046       25.59694 89.74720       30.64877 112.8000       46.54061 40.63589 7.990340 44.04441 10.86395 -3.408516      13.48595 
1 1 1 -1  8  50 f 48.42665 5.627321 121.0649       26.17807 140.8568       31.53226 77.17000       46.95901 51.93682 6.333426 36.14037 11.66276 15.79646       13.27148 
1 1 1 -1  8  51 o 39.89723 7.119699 85.47865       26.78412 55.57267       33.06023 142.6000       45.69053 31.32702 9.746772 50.18138 9.652451 -18.85436      13.71748 
1 1 1 -1  8  52 o 35.28151 7.937308 68.90694       26.74575 46.49861       33.34924 109.3000       44.77490 28.98932 9.846146 42.92345 10.69603 -13.93412      14.53794 
1 1 1 -1  8  53 o 56.55116 4.187735 161.6964       23.01623 161.0986       26.08269 163.8000       48.92515 56.17221 4.789420 53.46778 9.705677 2.704433       10.82306 
1 1 1 -1  8  54 o 17.11947 7.040154 7.422651       18.96442 10.41447       21.49017 -3.108000      40.31808 18.55963 7.546857 21.26534 9.497048 -2.705702      12.13050 
1 1 1 -1  8  55 o 95.64941 3.461328 458.1691       32.35300 460.5356       37.12626 450.7000       65.95697 95.54944 3.978303 91.20787 7.452843 4.341568       8.448181 
1 1 1 -1  8  56 o 74.96055 4.190403 284.6892       30.62404 284.6892       30.62404 0.000000       0.000000 74.96055 4.190403 ?        ?        ?              ?        
1 1 1 -1  8  57 o 36.77900 6.018016 72.18741       20.91645 85.39411       23.41666 20.06000       46.52227 39.97717 6.183613 25.21569 10.73853 14.76148       12.39165 
1 1 1 -1  8  58 o 52.12761 5.123318 140.8952       25.80380 144.8743       30.38397 130.6000       48.87272 52.30679 6.045589 45.80847 11.03202 6.498322       12.57993 
1 1 1 -1  8  59 o 26.96106 8.264451 41.41417       23.87372 30.14536       27.24016 78.74000       49.57644 24.08728 8.831417 34.79549 11.99970 -10.70821      14.89922 
1 1 1 -1  8  60 o 46.49348 4.773090 111.7044       21.41379 116.9982       29.68933 105.9643       30.91519 46.44696 6.725882 43.66500 7.503579 2.781967       10.07676 
1 1 1 -1  8  61 o 37.36690 5.816926 74.74247       20.58366 59.23092       28.75031 91.05459       29.48290 31.53566 8.917960 40.06065 7.799404 -8.524984      11.84739 
1 1 1 -1  8  62 o 37.23945 5.851317 74.73676       20.62605 68.26497       28.78708 81.56436       29.56785 33.81464 8.660224 37.31210 8.309189 -3.497467      12.00175 
1 1 1 -1  9  1  o 487.9120 9.139708 11701.99       436.4957 11658.80       615.6597 11745.65       618.9497 485.7721 12.95956 487.5718 12.98067 -1.799713      18.34252 
1 1 1 -1  9  2  o 200.8312 4.104646 1975.689       80.68877 1963.364       113.5956 1988.240       114.6337 200.0324 5.807848 201.2952 5.824112 -1.262787      8.225046 
1 1 1 -1  9  3  o 455.3864 8.555367 10186.27       381.3510 10426.51       548.8511 9962.027       530.2532 459.7037 12.20829 449.3823 12.06575 10.32135       17.16463 
1 1 1 -1  9  4  o 328.0912 6.276684 5277.985       201.5724 5046.000       391.1012 5361.899       235.2204 319.6819 12.52293 330.5850 7.269183 -10.90311      14.47981 
1 1 1 -1  9  5  o 268.4317 5.235614 3530.710       137.5649 3384.000       268.3121 3583.028       160.2265 262.1197 10.47878 270.3587 6.054634 -8.239044      12.10220 
1 1 1 -1  9  6  o 333.6189 7.361434 5458.607       240.3916 5328.000       410.0058 5527.023       296.7486 328.6746 12.76864 335.4044 9.047125 -6.729828      15.64892 
1 1 1 -1  9  7  o 197.7411 4.059803 1914.743       78.57932 1900.000       157.2498 1919.650       90.71806 196.6424 8.187625 197.9763 4.681385 -1.333908      9.431467 
1 1 1 -1  9  8  o 431.2061 11.49955 9141.435       484.9354 0.000000       0.000000 9141.435       484.9354 ?        ?        431.2061 11.49955 ?              ?        
1 1 1 -1  9  9  o 487.5105 12.98093 11689.94       618.8840 13160.00       950.9996 10610.00       815.1006 515.8747 18.86522 463.3519 18.00618 52.52283       26.07909 
1 1 1 -1  9  10 o 630.8557 16.67786 19617.93       1028.953 18450.00       1390.839 21030.00       1529.318 609.6779 23.34928 650.6930 24.05268 -41.01508      33.52193 
1 1 1 -1  9  11 o 384.1419 10.34044 7244.767       388.4558 6788.000       524.8657 7798.000       577.6371 371.2606 14.47091 397.8972 14.85735 -26.63663      20.74001 
1 1 1 -1  9  12 f 502.3515 18.96715 12470.00       930.9690 0.000000       0.000000 12470.00       930.9690 ?        ?        502.3515 18.96715 ?              ?        
1 1 1 -1  9  13 o 268.1103 10.62890 3533.000       278.3856 0.000000       0.000000 3533.000       278.3856 ?        ?        268.1103 10.62890 ?              ?        
1 1 1 -1  9  14 o 143.8281 3.913916 1013.560       55.05004 936.2156       63.65605 1243.000       109.6377 138.1906 4.712928 159.1129 7.057167 -20.92223      8.486183 
1 1 1 -1  9  15 o 380.5849 8.358429 7101.831       311.3741 6429.000       504.8708 7514.857       395.5630 361.1956 14.30842 391.1714 10.34007 -29.97577      17.65355 
1 1 1 -1  9  16 o 530.4140 9.919586 13807.00       515.0089 12766.42       687.9284 15133.83       776.8095 509.1950 13.81511 554.3082 14.32918 -45.11325      19.90434 
1 1 1 -1  9  17 o 162.4134 4.976931 1293.175       79.02726 1347.000       113.7760 1243.000       109.8502 165.6251 7.034097 159.0880 7.072029 6.537186       9.974573 
1 1 1 -1  9  18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  20 o 369.2428 7.029662 6687.937       254.0696 6581.991       355.2640 6798.850       363.4947 365.7582 9.932374 371.7260 9.999162 -5.967743      14.09380 
1 1 1 -1  9  21 o 341.6107 9.255877 5741.482       309.2110 5697.000       434.7966 5787.000       439.8275 339.3890 13.11294 342.0500 13.16127 -2.660950      18.57870 
1 1 1 -1  9  22 o 332.1195 6.383145 5411.721       207.5083 5496.532       296.6323 5330.442       290.3893 334.1705 9.077087 329.0902 9.023385 5.080231       12.79902 
1 1 1 -1  9  23 o 348.0326 6.670237 5945.833       227.2309 6257.723       332.6957 5673.125       311.0965 356.3622 9.546425 339.3375 9.375047 17.02469       13.38005 
1 1 1 -1  9  24 o 168.6299 3.737682 1393.116       61.69401 1424.488       88.32381 1363.227       86.21155 170.3482 5.303511 166.6425 5.292056 3.705688       7.492202 
1 1 1 -1  9  25 o 414.9108 7.869210 8467.638       319.5892 8575.589       456.5643 8363.929       447.5066 416.3299 11.21383 411.1898 11.12885 5.140076       15.79877 
1 1 1 -1  9  26 o 127.7671 3.280057 800.2215       40.98714 858.5378       59.57483 747.8101       56.47819 132.2436 4.609423 123.4039 4.684195 8.839722       6.571793 
1 1 1 -1  9  27 o 108.3905 3.181356 576.0305       33.71627 567.9781       47.40295 584.2755       47.96606 107.5305 4.513718 109.0659 4.502708 -1.535439      6.375581 
1 1 1 -1  9  28 o 188.4438 4.675955 1741.774       86.24986 1766.959       107.3868 1696.000       144.7753 189.6028 5.793083 185.3919 7.996871 4.210815       9.874703 
1 1 1 -1  9  29 o 315.4754 7.075185 4897.145       218.4789 4971.578       270.6788 4758.000       370.0877 317.3049 8.723353 309.0762 12.25730 8.228729       15.04455 
1 1 1 -1  9  30 o 212.2946 4.436851 2210.883       92.19770 2199.300       130.1069 2222.566       130.6694 211.3966 6.294773 212.5140 6.288660 -1.117371      8.897832 
1 1 1 -1  9  31 o 191.3781 5.883967 1802.212       110.0911 0.000000       0.000000 1802.212       110.0911 ?        ?        191.3781 5.883967 ?              ?        
1 1 1 -1  9  32 o 190.1007 5.868131 1779.342       109.0610 0.000000       0.000000 1779.342       109.0610 ?        ?        190.1007 5.868131 ?              ?        
1 1 1 -1  9  33 o 133.1883 3.477046 870.5311       45.29094 865.3868       64.31422 875.5921       63.79109 132.6080 4.963618 133.3989 4.893711 -0.7909241     6.970359 
1 1 1 -1  9  34 o 144.1991 4.168615 1021.981       58.77661 1043.424       72.27341 980.1000       101.0064 145.5567 5.080502 140.5778 7.366210 4.978867       8.948327 
1 1 1 -1  9  35 o 92.26244 3.930567 418.8633       35.41523 407.7221       42.65129 443.6000       63.55341 90.90221 4.810613 94.43105 6.923844 -3.528847      8.430991 
1 1 1 -1  9  36 o 255.9356 7.361594 3256.908       184.2287 3251.000       258.5587 3263.000       262.5649 253.7079 10.43390 254.0647 10.58127 -0.3568573     14.86033 
1 1 1 -1  9  37 o 55.94041 5.982404 156.6714       32.24928 156.6714       32.24928 0.000000       0.000000 55.94041 5.982404 ?        ?        ?              ?        
1 1 1 -1  9  38 o 69.50499 3.794174 238.4530       25.71516 235.1075       29.41473 249.3000       52.96455 68.91647 4.383208 70.12998 7.850246 -1.213516      8.991045 
1 1 1 -1  9  39 o 104.7375 3.983837 541.4695       40.76782 541.4695       40.76782 0.000000       0.000000 104.7375 3.983837 ?        ?        ?              ?        
1 1 1 -1  9  40 o 114.2440 3.476868 643.3847       38.83489 623.0549       44.32810 710.5000       80.54209 112.2816 4.039921 118.8074 6.956284 -6.525848      8.044305 
1 1 1 -1  9  41 o 70.38148 3.916444 245.3097       26.87451 245.6073       30.95929 244.4000       54.13232 70.28728 4.523977 68.92467 8.183247 1.362610       9.350502 
1 1 1 -1  9  42 o 78.17357 3.778049 302.4897       28.82346 299.8780       32.99665 310.9000       59.21300 77.69090 4.356489 77.82752 7.881324 -0.1366196     9.005236 
1 1 1 -1  9  43 o 57.04757 4.543859 162.5113       25.16327 156.6292       28.57911 182.8000       53.07728 55.80018 5.295868 58.68039 9.570343 -2.880207      10.93790 
1 1 1 -1  9  44 o 38.78349 7.181386 78.64834       26.25845 78.64834       26.25845 0.000000       0.000000 38.78349 7.181386 ?        ?        ?              ?        
1 1 1 -1  9  45 o 64.65363 4.226812 208.4353       26.60260 210.0488       30.64425 203.5000       53.59425 64.70900 4.873962 61.87330 9.122694 2.835701       10.34307 
1 1 1 -1  9  46 o 50.29909 5.614658 128.9578       27.17241 108.8120       31.56560 186.6000       53.39399 45.51444 7.334535 58.64015 9.636777 -13.12571      12.11045 
1 1 1 -1  9  47 o 32.78709 7.074383 57.35552       22.03653 58.46089       24.73348 53.10000       48.52980 32.88160 7.802688 32.13267 11.78665 0.7489319      14.13531 
1 1 1 -1  9  48 o 32.69830 6.943043 57.21824       21.53445 57.79901       24.33291 55.12000       46.25052 32.59758 7.741851 32.05368 11.54300 0.5438919      13.89881 
1 1 1 -1  9  49 o 40.95358 5.503526 86.64562       21.50378 88.08651       24.53427 81.87000       44.66557 40.96865 6.321210 37.32773 11.27659 3.640919       12.92746 
1 1 1 -1  9  50 o 16.46598 7.721620 -25.93459      31.40194 29.03000       49.44500 -63.09000      40.65294 27.73770 11.38301 16.22415 7.907780 11.51354       13.86023 
1 1 1 -1  9  51 o 26.54172 8.160709 38.41027       23.25605 18.08368       27.26701 92.66000       44.54553 21.84675 8.629892 39.38727 11.08754 -17.54052      14.05021 
1 1 1 -1  9  52 o 72.27912 4.293460 263.8349       30.23885 248.5346       35.90004 301.2000       56.10196 69.57883 5.311368 74.72503 7.784168 -5.146202      9.423582 
1 1 1 -1  9  53 o 27.47279 8.574234 42.04146       25.56296 66.67416       31.72104 -3.589000      43.17367 33.96418 9.279902 21.96496 9.817294 11.99922       13.50910 
1 1 1 -1  9  54 o 46.88528 6.009175 115.9948       26.94446 121.5957       33.48113 105.7000       45.39216 47.11144 7.512652 41.40238 11.01079 5.709061       13.32957 
1 1 1 -1  9  55 o 20.24741 7.727539 17.93291       21.29000 17.93291       21.29000 0.000000       0.000000 20.24741 7.727539 ?        ?        ?              ?        
1 1 1 -1  9  56 o 28.23392 7.208440 44.35293       19.98754 59.54071       22.35184 -16.26000      44.65281 32.80688 7.161919 20.69231 9.532085 12.11457       11.92282 
1 1 1 -1  9  57 o 26.87758 7.911027 40.76234       22.20606 41.09798       25.72143 39.78000       44.00367 26.92567 8.626143 27.81003 10.97002 -0.8843613     13.95535 
1 1 1 -1  9  58 o 17.98349 7.222672 10.89926       19.41319 -4.948072      21.69468 74.58000       43.48897 15.56784 6.958560 34.41513 11.23259 -18.84730      13.21335 
1 1 1 -1  9  59 o 48.91650 5.507856 125.5897       25.91422 120.9870       30.30871 138.1000       49.96831 47.23641 6.746619 46.91614 11.06224 0.3202667      12.95724 
1 1 1 -1  9  60 o 47.84144 4.629970 117.9919       21.41080 108.1195       29.66023 128.7341       30.93914 44.35095 7.069411 48.74479 6.658322 -4.393837      9.711325 
1 1 1 -1  9  61 o 49.11533 4.535918 124.4174       21.56039 125.5196       29.66995 123.1843       31.38421 48.12601 6.461521 47.29707 6.989322 0.8289452      9.518501 
1 1 1 -1  9  62 o 28.75463 6.942412 46.68476       19.31659 45.07300       26.33848 48.56070       28.41513 27.56966 8.717243 28.42415 9.062387 -0.8544960     12.57447 
1 1 1 -1  10 1  o 453.7304 8.515779 10104.55       378.2061 10054.90       532.7136 10155.01       537.0411 451.8075 12.05653 454.0433 12.09459 -2.235809      17.07744 
1 1 1 -1  10 2  o 411.7086 7.759150 8314.919       312.6874 8383.146       444.7990 8248.258       439.6593 412.7662 11.01900 409.4373 10.98032 3.328949       15.55589 
1 1 1 -1  10 3  o 314.3290 6.035279 4841.963       185.6898 4858.125       263.4453 4826.005       261.7729 314.5262 8.565086 313.4872 8.538926 1.039001       12.09438 
1 1 1 -1  10 4  o 185.4694 4.480734 1684.676       81.34439 1655.000       140.0609 1699.780       99.92413 183.5361 7.814195 186.1867 5.488958 -2.650589      9.549361 
1 1 1 -1  10 5  o 472.5864 8.858808 10957.03       409.7913 11520.00       848.0565 10785.54       468.0637 482.4261 17.99075 468.6880 10.20269 13.73801       20.68241 
1 1 1 -1  10 6  o 506.7946 10.94172 12612.48       542.7800 12260.00       921.7316 12799.59       671.5681 497.6441 18.95720 509.9249 13.46660 -12.28079      23.25349 
1 1 1 -1  10 7  o 431.3842 11.49941 9144.820       485.1305 9172.000       688.3675 9118.000       683.8114 431.1340 16.34138 429.8742 16.28075 1.259796       23.06737 
1 1 1 -1  10 8  o 532.2820 11.47638 13909.84       597.9334 13510.00       1013.871 14123.07       740.3981 522.5808 19.85701 535.7299 14.13164 -13.14905      24.37220 
1 1 1 -1  10 9  o 284.8846 6.395088 3975.773       178.3289 3847.000       303.1959 4043.881       220.5017 279.7517 11.09447 287.1392 7.852738 -7.387512      13.59238 
1 1 1 -1  10 10 o 449.6171 9.785250 9915.435       430.6465 9194.000       705.3637 10344.15       543.7510 431.7293 16.72313 458.8087 12.11832 -27.07941      20.65228 
1 1 1 -1  10 11 o 717.6376 27.05021 25670.00       1896.723 0.000000       0.000000 25670.00       1896.723 ?        ?        717.6376 27.05021 ?              ?        
1 1 1 -1  10 12 o 472.1552 17.87459 11010.00       824.5979 0.000000       0.000000 11010.00       824.5979 ?        ?        472.1552 17.87459 ?              ?        
1 1 1 -1  10 13 o 151.9581 5.155487 1132.169       76.57207 1045.000       104.7993 1232.000       112.1529 145.8394 7.365211 158.3904 7.253202 -12.55093      10.33708 
1 1 1 -1  10 14 o 664.3567 17.58981 21792.45       1142.843 20240.00       1530.324 23750.00       1718.428 637.5753 24.56740 690.2839 25.47669 -52.70868      35.39236 
1 1 1 -1  10 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  10 16 o 415.8278 11.17577 8501.212       454.4679 7844.000       606.9359 9340.000       685.6720 398.5546 15.58788 434.8197 16.13820 -36.26514      22.43710 
1 1 1 -1  10 17 o 513.3382 11.11008 12952.80       558.2480 13197.19       692.7072 12500.00       942.8892 517.4023 13.68979 501.7728 19.23323 15.62955       23.60778 
1 1 1 -1  10 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  10 19 o 260.0147 5.131758 3312.778       130.6082 3196.456       180.6234 3440.249       189.0826 255.1560 7.239377 264.7076 7.304564 -9.551605      10.28422 
1 1 1 -1  10 20 o 417.8089 7.892758 8570.970       322.7845 8472.865       452.6549 8672.467       460.4166 414.5973 11.16426 419.4397 11.22447 -4.842377      15.83128 
1 1 1 -1  10 21 o 362.4050 6.913800 6445.923       245.2546 6228.504       338.4547 6686.314       355.8864 355.6205 9.732313 368.4331 9.877303 -12.81259      13.86647 
1 1 1 -1  10 22 o 270.3227 5.318217 3583.021       140.7196 3673.618       202.2540 3498.016       195.9127 273.3553 7.566258 266.7458 7.510888 6.609497       10.66122 
1 1 1 -1  10 23 o 178.8610 4.507024 1568.960       78.84347 1553.180       95.38333 1603.000       140.0925 177.8696 5.485093 180.3991 7.953218 -2.529572      9.661260 
1 1 1 -1  10 24 o 152.3326 3.507890 1136.791       52.30522 1229.622       76.87517 1056.775       71.37246 158.2762 4.968240 146.7181 4.977026 11.55803       7.032368 
1 1 1 -1  10 25 o 210.4873 5.049911 2173.073       104.0437 2162.000       181.0320 2178.535       127.1390 209.2947 8.856735 210.5486 6.175755 -1.253876      10.79730 
1 1 1 -1  10 26 o 199.7229 4.204775 1955.412       82.20093 2005.847       118.0126 1907.882       114.5635 202.0276 5.974324 197.0317 5.947046 4.995865       8.429704 
1 1 1 -1  10 27 o 127.2729 3.748632 794.5524       46.64888 825.4145       59.13370 743.7000       75.90636 129.6444 4.667500 122.8677 6.332894 6.776772       7.867090 
1 1 1 -1  10 28 o 206.9893 4.347916 2101.002       88.09174 2151.440       126.3466 2053.290       122.8865 209.1597 6.178111 204.3331 6.151118 4.826599       8.718102 
1 1 1 -1  10 29 o 312.0427 6.072570 4785.414       185.4781 4875.986       265.7381 4699.375       259.0029 314.1927 8.648979 308.4662 8.586445 5.726471       12.18737 
1 1 1 -1  10 30 o 205.0135 4.969388 2063.436       99.72214 2385.000       186.3630 1934.423       118.0435 219.5434 8.689439 198.2546 6.090151 21.28885       10.61114 
1 1 1 -1  10 31 o 149.8398 3.616982 1100.819       53.04930 1043.834       73.50458 1162.769       76.63968 145.6831 5.162810 153.7777 5.098648 -8.094620      7.256088 
1 1 1 -1  10 32 o 263.1808 6.098667 3409.769       157.1069 3437.814       193.1883 3355.000       269.9712 263.7670 7.490214 259.3029 10.65935 4.464111       13.02786 
1 1 1 -1  10 33 o 265.8234 6.183890 3482.341       160.9019 3487.561       197.3833 3472.000       277.7931 265.4485 7.604520 263.3652 10.79889 2.083374       13.20775 
1 1 1 -1  10 34 o 159.6098 4.370676 1252.859       68.21899 1321.467       85.67461 1134.000       112.7664 163.7287 5.353097 151.0820 7.650269 12.64679       9.337144 
1 1 1 -1  10 35 o 184.4703 4.077856 1672.456       73.63167 1665.812       84.70483 1693.000       148.9521 183.9158 4.709125 184.2207 8.281591 -0.3048859     9.526836 
1 1 1 -1  10 36 o 155.5984 4.318154 1192.498       65.70362 1204.685       80.40291 1168.000       113.9930 156.1504 5.267987 152.9594 7.637865 3.191040       9.278398 
1 1 1 -1  10 37 o 130.6938 4.912786 844.3145       62.73577 846.4000       86.49936 842.0000       91.12479 130.2660 6.807465 129.7814 7.201519 0.4845886      9.909766 
1 1 1 -1  10 38 o 135.7155 4.096259 908.4789       54.35329 908.4789       54.35329 0.000000       0.000000 135.7155 4.096259 ?        ?        ?              ?        
1 1 1 -1  10 39 f 82.15453 3.619748 333.0322       29.03680 312.4576       32.91668 405.2000       61.64849 79.44802 4.248237 89.65888 7.082096 -10.21086      8.258548 
1 1 1 -1  10 40 o 71.00213 3.871730 249.4576       26.80626 227.2292       30.41100 326.9000       56.76313 67.59454 4.624199 80.26974 7.304430 -12.67519      8.645109 
1 1 1 -1  10 41 o 153.7881 3.773045 1167.403       56.79640 1176.249       65.62521 1141.000       113.3734 154.0934 4.355283 149.8242 7.757190 4.269165       8.896206 
1 1 1 -1  10 42 f 136.5315 3.611961 920.8042       48.22814 886.4827       54.48605 1045.000       103.6468 133.7568 4.166709 143.3726 7.410708 -9.615753      8.501768 
1 1 1 -1  10 43 o 71.43127 4.373609 254.0054       30.43320 254.0054       30.43320 0.000000       0.000000 71.43127 4.373609 ?        ?        ?              ?        
1 1 1 -1  10 44 o 103.1336 3.505982 526.1628       35.34144 524.0417       40.59772 532.8000       71.81477 102.7449 4.044682 102.0429 7.236887 0.7020340      8.290475 
1 1 1 -1  10 45 o 49.95634 5.555559 126.8462       26.70697 97.49168       31.35659 204.4000       50.96741 42.95537 7.742463 62.16789 8.606248 -19.21252      11.57641 
1 1 1 -1  10 46 o 60.69901 4.303657 184.5346       25.40387 173.9190       28.64050 223.7000       55.01218 58.67107 5.035790 64.60705 8.938238 -5.935982      10.25920 
1 1 1 -1  10 47 o 44.35747 5.354211 100.7467       22.77735 102.4437       25.60033 94.30000       49.89673 44.47702 6.035984 40.09025 11.87388 4.386776       13.31999 
1 1 1 -1  10 48 o 56.34293 4.309350 159.8206       23.58572 152.3514       26.68380 186.5000       50.43105 54.72491 5.037961 58.28602 9.139767 -3.561115      10.43630 
1 1 1 -1  10 49 o 54.47269 6.920350 156.4793       36.06714 176.1000       53.56014 140.2000       48.78668 55.66324 10.20631 49.38246 10.42106 6.280785       14.58654 
1 1 1 -1  10 50 o 63.30342 3.976800 201.2161       24.51700 183.9731       27.70362 263.5000       52.65231 60.19906 4.739753 70.11539 7.803896 -9.916336      9.130501 
1 1 1 -1  10 51 f 34.92776 6.365980 64.95383       20.96254 49.50690       23.48091 125.6000       46.52598 29.88565 7.906035 46.26673 10.51322 -16.38108      13.15421 
1 1 1 -1  10 52 o 12.48645 5.877565 -17.73099      18.49566 -23.31579      20.42020 7.778000       43.64180 12.62898 6.012178 23.50503 10.20838 -10.87605      11.84725 
1 1 1 -1  10 53 o 40.84720 6.085993 88.27174       23.59149 93.38077       27.38076 73.55000       46.47891 41.57137 6.975774 34.63951 11.62404 6.931854       13.55654 
1 1 1 -1  10 54 o 37.76720 7.535779 78.96885       26.88107 78.96885       26.88107 0.000000       0.000000 37.76720 7.535779 ?        ?        ?              ?        
1 1 1 -1  10 55 o 32.13883 9.162719 60.45747       30.22654 60.45747       30.22654 0.000000       0.000000 32.13883 9.162719 ?        ?        ?              ?        
1 1 1 -1  10 56 o 46.66919 7.484271 119.9953       33.03375 177.6000       47.29190 65.11000       46.16213 55.68834 8.981413 32.49446 11.55144 23.19387       14.63221 
1 1 1 -1  10 57 o 30.24033 7.008364 50.69221       20.33880 54.55529       23.01154 36.90000       43.48065 31.11147 7.618369 27.25272 10.85506 3.858753       13.26167 
1 1 1 -1  10 58 o 21.38357 7.491830 23.45286       19.36259 15.18430       21.59792 57.31000       43.70409 19.56894 7.695780 30.87948 11.20701 -11.31053      13.59493 
1 1 1 -1  10 59 o 39.73529 5.566334 83.44245       21.05666 75.20263       23.41995 118.2000       48.10071 37.09866 6.695757 43.02064 11.28472 -5.921982      13.12167 
1 1 1 -1  10 60 o 25.42973 8.052580 36.62279       22.46768 28.48601       25.53489 64.52000       47.28114 23.37318 8.553606 31.88694 11.64402 -8.513762      14.44809 
1 1 1 -1  10 61 o 25.91581 7.194288 38.04829       18.89493 43.71054       25.72078 31.41032       27.84884 27.30163 8.612077 24.17444 8.918269 3.127188       12.39772 
1 1 1 -1  10 62 o 39.04514 5.312761 80.92814       19.77834 82.08472       26.94865 79.57777       29.11885 37.93285 7.523735 36.78534 8.286671 1.147511       11.19265 
1 1 1 -1  11 1  o 624.4327 11.61089 19155.11       709.6714 19493.85       1016.981 18833.60       990.7850 628.4999 16.54548 617.8027 16.39863 10.69714       23.29524 
1 1 1 -1  11 2  o 629.8461 11.71045 19488.31       721.9617 19749.15       1031.726 19238.03       1010.618 632.6168 16.67617 624.4101 16.54984 8.206665       23.49451 
1 1 1 -1  11 3  o 428.5860 8.058606 9005.271       338.0680 8759.193       468.8401 9271.800       487.9319 422.1823 11.35568 434.3483 11.48673 -12.16599      16.15228 
1 1 1 -1  11 4  o 467.2313 10.11050 10711.64       462.3924 10590.00       794.7532 10773.89       568.5194 463.0482 17.56662 468.1190 12.41843 -5.070801      21.51287 
1 1 1 -1  11 5  o 950.7659 17.62320 44574.23       1640.078 43710.00       3233.135 44873.67       1903.115 930.2533 35.57275 952.7402 20.40724 -22.48688      41.01068 
1 1 1 -1  11 6  o 334.8657 9.062352 5502.519       296.7689 5597.000       425.4710 5413.000       414.1473 337.2766 12.91161 331.6962 12.77972 5.580383       18.16675 
1 1 1 -1  11 7  o 614.0816 13.20868 18529.59       793.9475 17150.00       1300.127 19350.02       1002.603 588.0931 22.62792 626.6523 16.35942 -38.55914      27.92227 
1 1 1 -1  11 8  o 327.9065 7.257452 5268.674       232.9380 5035.000       391.8572 5396.370       289.6751 319.9263 12.53757 331.6338 8.931859 -11.70746      15.39379 
1 1 1 -1  11 9  o 385.5488 8.443407 7287.134       318.6422 6579.000       514.9423 7726.525       405.6270 365.4755 14.42273 396.6901 10.45558 -31.21460      17.81388 
1 1 1 -1  11 10 o 273.3644 7.564670 3665.101       202.2183 0.000000       0.000000 3665.101       202.2183 ?        ?        273.3644 7.564670 ?              ?        
1 1 1 -1  11 11 o 498.0812 13.27075 12202.97       646.4202 10990.00       846.4804 13900.00       1001.235 471.5603 18.37407 530.1459 19.32688 -58.58566      26.66711 
1 1 1 -1  11 12 o 364.0840 9.850150 6508.395       350.7127 6560.000       498.9544 6458.000       493.0634 364.9323 13.99419 362.0894 13.93775 2.842957       19.75090 
1 1 1 -1  11 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11 14 f 355.8651 9.665621 6219.126       336.3713 5827.000       454.7227 6693.000       499.8791 343.8851 13.53555 368.5278 13.88243 -24.64267      19.38900 
1 1 1 -1  11 15 o 286.5090 7.971677 4028.610       223.3427 3810.000       304.5456 4283.000       328.5243 278.2403 11.20509 295.0050 11.39856 -16.76474      15.98378 
1 1 1 -1  11 16 o 513.0532 13.65721 12977.37       685.2424 12720.00       955.4234 13250.00       983.3376 506.0876 19.32246 516.4743 19.48621 -10.38672      27.44212 
1 1 1 -1  11 17 o 396.2406 10.67821 7725.104       413.7781 7677.000       582.7968 7774.000       587.5737 393.9502 15.14185 396.4269 15.17034 -2.476654      21.43396 
1 1 1 -1  11 18 o 343.6500 7.615637 5795.014       256.1703 5839.240       315.2223 5709.000       439.6037 344.6028 9.353921 339.9353 13.23700 4.667542       16.20846 
1 1 1 -1  11 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  11 20 o 130.4362 4.270773 834.4440       54.45340 834.4440       54.45340 0.000000       0.000000 130.4362 4.270773 ?        ?        ?              ?        
1 1 1 -1  11 21 o 143.2744 5.012802 1007.515       70.19170 970.4000       97.76537 1047.000       100.8381 140.3991 7.137426 145.8549 7.084318 -5.455795      10.05636 
1 1 1 -1  11 22 o 184.6100 4.591676 1670.446       82.97221 1716.392       102.4776 1583.000       141.3745 186.9802 5.605545 179.2550 8.078132 7.725204       9.832515 
1 1 1 -1  11 23 o 309.6287 6.950421 4709.423       210.6486 4762.242       259.7718 4608.000       359.9680 310.9516 8.542889 304.9070 12.08513 6.044586       14.79971 
1 1 1 -1  11 24 o 83.26686 3.054875 340.0519       24.85621 330.4925       27.58652 381.3000       57.30379 82.06258 3.442000 87.84601 6.715209 -5.783424      7.545953 
1 1 1 -1  11 25 o 262.3360 5.213399 3376.481       133.8705 3455.838       156.4956 3160.000       258.4756 265.2909 6.026616 252.6320 10.47534 12.65884       12.08523 
1 1 1 -1  11 26 o 210.4424 5.036065 2172.729       103.7363 2172.729       103.7363 0.000000       0.000000 210.4424 5.036065 ?        ?        ?              ?        
1 1 1 -1  11 27 o 143.3517 3.487550 1006.988       48.93612 1001.408       55.65528 1026.000       102.7378 142.8716 3.983624 144.2130 7.301892 -1.341339      8.317865 
1 1 1 -1  11 28 o 275.7722 5.454295 3734.235       147.2297 3765.810       170.5782 3642.000       291.5456 276.7851 6.296145 270.7664 11.02337 6.018646       12.69473 
1 1 1 -1  11 29 o 163.0107 4.306749 1304.330       68.65803 1429.579       86.42113 1090.000       113.0512 170.5531 5.182726 148.4870 7.805640 22.06612       9.369560 
1 1 1 -1  11 30 o 175.1002 3.916873 1503.583       67.13243 1498.683       77.06706 1519.000       136.6921 174.6994 4.510603 175.2600 7.989101 -0.5606079     9.174490 
1 1 1 -1  11 31 o 197.1726 4.233014 1907.836       81.69630 1932.819       94.67659 1835.000       161.6542 198.3721 4.875912 192.3760 8.606588 5.996078       9.891809 
1 1 1 -1  11 32 o 237.9602 5.621542 2786.263       130.9381 2843.129       161.9699 2679.000       222.4494 239.9528 6.903256 231.8633 9.823772 8.089523       12.00673 
1 1 1 -1  11 33 o 212.4813 4.465739 2218.395       92.87958 2284.292       108.8545 2042.000       178.0975 215.4710 5.161206 202.4425 9.010303 13.02852       10.38382 
1 1 1 -1  11 34 o 228.6966 4.720995 2573.194       105.6816 2596.588       122.4742 2505.000       209.1076 229.5339 5.451192 223.6417 9.574517 5.892166       11.01757 
1 1 1 -1  11 35 o 221.7256 5.369089 2425.469       116.5260 2473.608       144.2334 2335.000       197.7290 223.3636 6.604265 215.5934 9.392301 7.770187       11.48180 
1 1 1 -1  11 36 o 138.2284 4.129042 941.2422       55.80405 950.5390       68.19524 922.4000       97.08531 138.6923 5.031714 135.8927 7.325880 2.799622       8.887444 
1 1 1 -1  11 37 o 104.3473 3.341938 535.7358       34.08988 520.5770       38.39418 592.2000       74.10000 102.7744 3.823245 108.7630 6.997475 -5.988602      7.973824 
1 1 1 -1  11 38 o 44.60408 7.401025 102.1803       31.18063 126.2000       41.41536 70.75000       47.37527 49.23323 8.922480 36.96151 11.69177 12.27172       14.70742 
1 1 1 -1  11 39 o 148.4259 5.250583 1094.909       76.16209 1094.909       76.16209 0.000000       0.000000 148.4259 5.250583 ?        ?        ?              ?        
1 1 1 -1  11 40 f 41.72852 5.420189 88.01994       21.61615 71.96301       24.08557 154.5000       49.00851 37.30496 6.848348 54.08775 9.608952 -16.78279      11.79965 
1 1 1 -1  11 41 o 101.2685 3.428364 506.2039       33.93444 499.3580       38.36743 530.8000       72.72443 100.4527 3.909534 102.1908 7.318926 -1.738182      8.297658 
1 1 1 -1  11 42 f 53.11396 5.069039 141.7032       26.03437 141.7032       26.03437 0.000000       0.000000 53.11396 5.069039 ?        ?        ?              ?        
1 1 1 -1  11 43 o 72.33575 3.760837 259.4591       26.53687 243.5477       29.82603 319.9000       58.13079 69.91333 4.380434 78.83617 7.628309 -8.922844      8.796551 
1 1 1 -1  11 44 o 60.94423 4.705789 186.0741       27.85459 183.5602       33.00256 192.3000       51.93624 60.21941 5.665490 60.15882 9.104294 0.6058121E-01  10.72315 
1 1 1 -1  11 45 o 98.51117 3.520745 481.0218       33.89435 482.9345       38.83013 474.9000       69.46690 98.51268 4.035439 95.80485 7.466638 2.707832       8.487370 
1 1 1 -1  11 46 o 28.61104 7.684221 44.04495       21.97339 20.46473       24.48054 141.8000       49.84444 22.08670 8.319124 50.27020 10.47028 -28.18349      13.37290 
1 1 1 -1  11 47 o 24.93720 7.715548 32.92453       20.74918 32.92568       23.24216 32.92000       46.05049 25.11938 8.212445 28.16722 11.18690 -3.047844      13.87772 
1 1 1 -1  11 48 o 29.09351 9.930489 45.46711       33.92911 16.00000       49.26247 72.06000       46.79832 26.08924 11.07816 35.24888 11.65986 -9.159639      16.08347 
1 1 1 -1  11 49 o 44.12067 4.928894 99.52352       20.92296 97.99448       23.22828 106.1000       48.17299 43.52044 5.581073 42.15684 11.40173 1.363598       12.69440 
1 1 1 -1  11 50 o 32.20613 6.549953 55.53582       19.94430 52.94596       22.34343 65.69000       44.24196 31.11060 7.438183 33.61458 11.34120 -2.503986      13.56280 
1 1 1 -1  11 51 o 26.72869 7.342211 39.12392       19.79605 45.45987       22.18169 14.33000       43.87947 28.67532 7.728892 24.50742 10.43271 4.167900       12.98373 
1 1 1 -1  11 52 o 38.32008 5.706635 77.00140       20.75291 54.47442       22.90228 180.4000       49.06643 31.38173 7.548396 56.54617 9.179424 -25.16443      11.88445 
1 1 1 -1  11 53 o 24.06158 7.498333 31.49595       19.55798 37.88439       21.64526 3.082000       45.64898 26.13135 7.840264 23.13287 10.23074 2.998482       12.88945 
1 1 1 -1  11 54 o 19.41017 7.581683 14.97732       20.84254 14.97732       20.84254 0.000000       0.000000 19.41017 7.581683 ?        ?        ?              ?        
1 1 1 -1  11 55 o 47.49007 6.065351 119.3974       27.55189 127.0000       34.40267 105.8000       46.00840 48.04817 7.564751 41.16380 11.14666 6.884369       13.47121 
1 1 1 -1  11 56 o 21.18898 7.757883 21.83354       21.00869 26.21914       24.12724 8.082000       42.72374 22.81053 8.319693 22.96093 10.03415 -0.1503963     13.03462 
1 1 1 -1  11 57 o 18.26041 7.755795 5.823884       24.15575 -34.18846      29.17523 93.04000       43.07404 14.66877 7.038014 38.52074 10.92335 -23.85197      12.99436 
1 1 1 -1  11 58 o 39.57393 7.045063 86.07703       26.28931 110.5068       32.40849 39.07000       44.95526 44.49357 7.721274 27.64969 11.02952 16.84388       13.46360 
1 1 1 -1  11 59 o 22.33529 7.375759 26.88279       18.72898 21.12679       20.70384 52.81000       43.94083 20.86375 7.690861 29.87626 11.16801 -9.012512      13.56001 
1 1 1 -1  11 60 o 66.30356 4.472126 225.4926       28.85420 233.4994       33.67947 203.4000       55.94441 66.95994 5.178813 57.76299 10.27106 9.196949       11.50282 
1 1 1 -1  11 61 o 64.98958 3.880086 214.7983       24.57025 226.5022       34.45076 202.6821       35.05220 65.60075 5.413310 61.65297 5.879494 3.947788       7.992019 
1 1 1 -1  12 1  o 712.3778 13.21496 24937.77       921.4727 24724.54       1295.683 25156.00       1310.766 707.6442 18.72230 713.7777 18.77732 -6.133545      26.51626 
1 1 1 -1  12 2  o 350.9314 6.682771 6033.516       229.5541 6191.049       330.5942 5886.844       318.9936 355.1676 9.518036 346.3357 9.418501 8.831879       13.39034 
1 1 1 -1  12 3  o 340.3949 6.495614 5676.303       216.4260 5530.771       300.6268 5832.878       311.8255 335.7176 9.157000 344.7621 9.248649 -9.044495      13.01492 
1 1 1 -1  12 4  o 481.6537 9.009732 11375.09       424.7692 11391.89       601.4505 11358.38       599.9808 481.3892 12.77560 480.6823 12.76314 0.7069397      18.05862 
1 1 1 -1  12 5  o 606.2679 13.05456 18059.73       774.6993 19450.00       1411.942 17460.93       926.6351 626.1599 23.07645 595.3564 15.91531 30.80347       28.03247 
1 1 1 -1  12 6  f 270.6862 7.493766 3593.414       198.3602 3661.000       285.0997 3530.000       276.1611 272.9321 10.69244 268.0121 10.54753 4.919922       15.01928 
1 1 1 -1  12 7  o 167.4610 3.634979 1372.901       59.58290 1512.000       127.4529 1334.000       67.40159 175.4954 7.436407 165.0104 4.176397 10.48505       8.528918 
1 1 1 -1  12 8  o 500.7369 10.82218 12306.21       530.4330 0.000000       0.000000 12306.21       530.4330 ?        ?        500.7369 10.82218 ?              ?        
1 1 1 -1  12 9  o 294.5296 11.52925 4266.000       331.7388 0.000000       0.000000 4266.000       331.7388 ?        ?        294.5296 11.52925 ?              ?        
1 1 1 -1  12 10 o 195.1478 4.717479 1864.877       90.11140 1758.000       152.9479 1921.699       111.5222 189.1815 8.279647 197.9874 5.760756 -8.805908      10.08657 
1 1 1 -1  12 11 o 556.3851 12.02110 15208.85       654.6754 14440.00       1090.665 15641.89       818.5389 539.7321 20.68289 563.4897 14.85340 -23.75757      25.46381 
1 1 1 -1  12 12 o 484.4678 12.90560 11548.68       611.4521 11110.00       841.2427 12040.00       890.2878 473.9256 18.16812 493.3034 18.47046 -19.37781      25.90827 
1 1 1 -1  12 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12 14 o 621.7919 16.48924 19104.40       1002.694 18200.00       1369.316 20150.00       1472.328 604.0615 23.20195 635.3768 23.71537 -31.31537      33.17754 
1 1 1 -1  12 15 o 164.7433 5.367857 1331.113       86.44398 1258.000       118.9304 1413.000       125.8646 159.9732 7.617084 169.5645 7.602707 -9.591324      10.76202 
1 1 1 -1  12 16 o 301.9666 8.346322 4478.972       246.4583 4234.000       335.8044 4765.000       362.8547 293.0610 11.73007 310.8816 11.94650 -17.82053      16.74256 
1 1 1 -1  12 17 o 327.0733 8.957604 5258.970       286.5063 5269.000       405.7835 5249.000       404.5812 326.6509 12.71554 326.0326 12.70194 0.6183472      17.97288 
1 1 1 -1  12 18 o 365.6960 9.924709 6583.442       354.9298 6566.000       501.1173 6601.000       502.7799 364.1386 14.08596 365.1064 14.09512 -0.9678345     19.92703 
1 1 1 -1  12 19 o 232.4478 6.730196 2653.615       152.9684 2558.000       211.7374 2758.000       221.2351 227.8202 9.516044 236.5636 9.574104 -8.743362      13.49884 
1 1 1 -1  12 20 o 174.5971 5.542370 1496.419       94.59938 1504.000       134.5126 1489.000       133.0665 174.7725 7.883213 173.9031 7.837416 0.8693848      11.11621 
1 1 1 -1  12 21 o 167.5967 5.417356 1378.967       88.75401 1332.000       123.5788 1429.000       127.5496 164.4528 7.698452 170.3520 7.669035 -5.899216      10.86647 
1 1 1 -1  12 22 o 213.2370 5.068783 2229.720       105.7968 2120.646       124.9476 2506.000       198.8571 207.7700 6.150598 225.4066 9.031259 -17.63663      10.92673 
1 1 1 -1  12 23 o 244.0654 4.890666 2921.178       116.8370 3031.379       137.5716 2636.000       221.3072 248.5427 5.654856 230.9455 9.812296 17.59723       11.32513 
1 1 1 -1  12 24 o 288.8043 5.643487 4093.842       159.5356 4179.496       186.1617 3857.000       309.5608 291.6699 6.520674 278.8836 11.36390 12.78622       13.10181 
1 1 1 -1  12 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  12 26 o 195.2574 4.141232 1869.166       79.14859 1851.752       90.28143 1927.000       164.5294 194.2926 4.747182 197.5186 8.530106 -3.225983      9.762093 
1 1 1 -1  12 27 o 192.0418 4.717965 1809.312       88.68633 1889.965       109.6822 1657.000       150.7266 196.0822 5.720793 183.1091 8.432204 12.97308       10.18968 
1 1 1 -1  12 28 o 208.3495 6.170388 2135.939       125.6992 2210.000       177.8383 2062.000       177.6928 211.4028 8.612288 204.1138 8.915383 7.289001       12.39579 
1 1 1 -1  12 29 o 200.5199 4.258626 1972.470       83.58593 1990.028       96.56355 1920.000       166.9292 201.3340 4.899931 196.9223 8.681603 4.411621       9.968930 
1 1 1 -1  12 30 o 107.4368 3.251242 566.2930       34.15140 601.6389       39.24399 456.0000       69.32310 110.7097 3.626331 95.86062 7.446441 14.84913       8.282497 
1 1 1 -1  12 31 o 148.1131 3.571150 1075.886       51.77353 1101.662       59.78712 998.6000       103.5252 149.7741 4.081971 142.0055 7.474230 7.768555       8.516254 
1 1 1 -1  12 32 o 114.3283 3.293756 641.5421       36.82122 637.3660       41.77002 656.1000       77.98766 113.9069 3.751470 115.0574 6.957278 -1.150520      7.904255 
1 1 1 -1  12 33 o 216.3584 4.514137 2301.356       95.59930 2311.754       110.3168 2270.000       191.5732 216.6869 5.201190 213.1831 9.202371 3.503769       10.57053 
1 1 1 -1  12 34 o 201.4831 4.292730 1996.314       84.66003 1988.761       97.22644 2020.000       172.1698 200.9455 4.943106 200.9791 8.772984 -0.3366089E-01 10.06973 
1 1 1 -1  12 35 o 181.7132 4.010803 1624.054       71.33850 1612.727       81.54359 1661.000       147.2744 180.8777 4.609488 182.1293 8.282840 -1.251678      9.479073 
1 1 1 -1  12 36 o 192.1272 4.171945 1817.938       78.45736 1833.417       90.47360 1771.000       157.5493 192.7499 4.795363 187.5505 8.605000 5.199371       9.850965 
1 1 1 -1  12 37 o 110.6627 3.903550 603.8812       42.21690 587.0959       50.22364 644.3000       77.93550 108.9222 4.721918 113.3627 7.058607 -4.440491      8.492375 
1 1 1 -1  12 38 o 46.09774 5.600121 107.0443       24.75100 101.3206       28.48178 124.7000       50.02309 44.54724 6.742549 48.25916 10.85364 -3.711926      12.77746 
1 1 1 -1  12 39 o 41.19105 5.272124 85.60204       20.76997 70.93291       22.84853 155.4000       49.83994 37.13242 6.524332 54.25266 9.743422 -17.12024      11.72609 
1 1 1 -1  12 40 o 61.63701 5.771018 191.1961       34.41285 191.1961       34.41285 0.000000       0.000000 61.63701 5.771018 ?        ?        ?              ?        
1 1 1 -1  12 41 o 165.9704 5.544954 1376.963       89.95486 1376.963       89.95486 0.000000       0.000000 165.9704 5.544954 ?        ?        ?              ?        
1 1 1 -1  12 42 o 115.5800 3.443353 659.8613       38.91220 654.8892       43.94908 677.9000       83.71037 114.9904 3.910337 115.2249 7.462231 -0.2344666     8.424703 
1 1 1 -1  12 43 o 23.93986 7.881835 28.54039       21.39286 23.04494       24.04627 49.40000       46.84889 22.85483 8.310244 31.94426 11.60181 -9.089434      14.27102 
1 1 1 -1  12 44 o 50.77288 4.583064 129.4332       22.53190 116.3853       25.07712 184.1000       51.32962 47.87152 5.448583 58.65233 9.246726 -10.78081      10.73261 
1 1 1 -1  12 45 o 40.52339 7.440989 87.00462       28.42766 87.00462       28.42766 0.000000       0.000000 40.52339 7.440989 ?        ?        ?              ?        
1 1 1 -1  12 46 o 56.20679 4.435341 158.9604       24.20419 144.9704       27.17793 212.6000       53.21684 53.35918 5.272403 62.69601 8.923296 -9.336834      10.36453 
1 1 1 -1  12 47 o 62.44450 6.552207 202.7916       39.45288 242.4000       58.87056 170.5000       53.15569 66.47189 9.302364 54.95553 10.25892 11.51636       13.84844 
1 1 1 -1  12 48 o 37.23452 5.616454 72.06785       19.83367 68.32813       21.71769 90.86000       48.68350 35.93255 6.409894 38.95505 11.77387 -3.022495      13.40563 
1 1 1 -1  12 49 o 58.37035 4.034119 171.3335       22.90696 163.9893       25.45552 202.6000       52.52283 56.86693 4.612725 60.41159 9.169937 -3.544662      10.26474 
1 1 1 -1  12 50 o 16.85071 7.023669 5.354179       19.22979 7.088865       21.64975 -1.130000      41.85717 18.01971 7.476832 22.13817 9.793449 -4.118462      12.32131 
1 1 1 -1  12 51 o 60.98466 3.957875 187.2415       23.49831 175.8970       26.31421 231.9000       52.20947 58.81017 4.607986 64.94849 8.409711 -6.138329      9.589410 
1 1 1 -1  12 52 o 19.07301 7.206037 15.55164       18.39968 12.29463       20.14729 31.92000       45.16580 18.66941 7.404390 27.11142 10.97131 -8.442005      13.23611 
1 1 1 -1  12 53 o 33.50140 6.615057 60.92610       20.92206 60.92610       20.92206 0.000000       0.000000 33.50140 6.615057 ?        ?        ?              ?        
1 1 1 -1  12 54 o 33.96180 6.640285 62.78677       21.28278 61.35489       24.21406 67.65000       44.62485 33.07216 7.634549 33.07646 11.38560 -0.4302979E-02 13.70832 
1 1 1 -1  12 55 o 33.78901 5.983560 61.07860       19.06561 53.05814       21.12960 96.22000       44.22840 30.93461 7.125126 39.21156 11.05148 -8.276953      13.14924 
1 1 1 -1  12 56 o 67.53439 3.726544 229.9262       24.53864 227.0232       27.73159 240.4000       52.67476 66.80674 4.263046 65.37084 8.428041 1.435898       9.444863 
1 1 1 -1  12 57 o 21.36774 7.735940 22.72587       20.80743 22.83597       24.06698 22.40000       41.40585 21.90714 8.249192 24.64758 10.29247 -2.740431      13.19031 
1 1 1 -1  12 58 o 18.37895 7.440945 11.19574       20.78626 -6.544208      23.83192 67.60000       42.49510 16.02261 7.216857 32.78782 11.11481 -16.76520      13.25225 
1 1 1 -1  12 59 o 27.51405 7.688741 43.06193       21.50410 47.68813       24.37331 26.81000       45.68304 28.72917 8.239876 25.72385 10.78128 3.005320       13.56951 
1 1 1 -1  12 60 o 37.41280 9.387993 84.83549       34.31951 123.9000       49.02691 47.30000       48.05784 43.51273 11.38269 28.75002 11.42496 14.76272       16.12747 
1 1 1 -1  12 61 o 62.82920 5.660406 209.6007       34.43805 186.6000       53.66906 225.7000       44.90100 54.55516 10.43040 63.57915 7.350176 -9.023983      12.76003 
1 1 1 -1  13 1  o 619.1597 11.51086 18820.91       697.6161 19049.10       995.4354 18600.66       977.9534 621.6981 16.37214 614.3565 16.27699 7.341614       23.08652 
1 1 1 -1  13 2  o 451.7790 8.480289 10006.20       375.0100 10157.19       536.1021 9861.536       524.7681 454.6208 12.05801 447.9630 11.97868 6.657776       16.99660 
1 1 1 -1  13 3  o 783.5777 14.53137 30201.43       1114.538 30797.66       1599.871 29639.23       1553.540 788.9608 20.73480 774.0560 20.52235 14.90472       29.17360 
1 1 1 -1  13 4  o 404.9102 8.826344 8039.143       349.8209 8144.523       432.5877 7840.000       594.6685 407.2153 10.86255 398.8327 15.26089 8.382538       18.73206 
1 1 1 -1  13 5  o 787.3195 16.88235 30548.91       1301.039 30460.00       2249.137 30593.63       1594.977 780.1220 29.50738 786.2454 20.74291 -6.123413      36.06874 
1 1 1 -1  13 6  o 626.0062 11.64310 19243.98       713.4335 18730.00       1397.982 19424.97       829.5948 614.0751 23.30036 628.5833 13.48333 -14.50818      26.92038 
1 1 1 -1  13 7  o 537.0967 14.22465 14200.39       747.1674 0.000000       0.000000 14200.39       747.1674 ?        ?        537.0967 14.22465 ?              ?        
1 1 1 -1  13 8  o 406.5441 15.48995 8151.000       615.2743 0.000000       0.000000 8151.000       615.2743 ?        ?        406.5441 15.48995 ?              ?        
1 1 1 -1  13 9  o 486.8074 10.53292 11632.87       501.8943 11390.00       856.9330 11759.68       619.2117 479.9253 18.27517 488.9120 12.95045 -8.986725      22.39857 
1 1 1 -1  13 10 o 462.5626 10.03357 10501.32       454.2889 10280.00       775.4240 10616.99       560.5646 456.0492 17.40279 464.6062 12.33727 -8.556976      21.33226 
1 1 1 -1  13 11 o 276.1780 7.713562 3742.450       208.3170 3616.000       288.1012 3881.000       301.5696 271.1259 10.87803 280.8859 10.98981 -9.760010      15.46311 
1 1 1 -1  13 12 o 390.3534 10.52120 7489.217       401.6364 7221.000       553.7211 7787.000       583.4431 382.4946 14.81773 397.1748 15.03472 -14.68021      21.10943 
1 1 1 -1  13 13 o 295.1615 8.178109 4277.112       236.0479 4143.000       327.0167 4423.000       341.0708 290.0430 11.54169 299.6814 11.64948 -9.638428      16.39881 
1 1 1 -1  13 14 o 224.4762 6.544172 2472.385       143.6373 2309.000       195.0438 2666.000       212.3221 216.6504 9.218500 232.8104 9.336158 -16.16003      13.12039 
1 1 1 -1  13 15 o 161.6247 5.309000 1281.416       83.87587 1159.000       113.1041 1431.000       125.0267 153.5133 7.550239 170.6218 7.504570 -17.10852      10.64541 
1 1 1 -1  13 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13 17 o 289.0848 8.041911 4107.381       227.3362 4087.000       320.5730 4128.000       322.4389 287.7529 11.40412 289.1929 11.41320 -1.440033      16.13428 
1 1 1 -1  13 18 o 109.6950 4.763447 590.8183       51.02443 513.6000       69.30704 682.2000       75.39573 102.0561 6.979982 117.7305 6.568664 -15.67433      9.584753 
1 1 1 -1  13 19 o 351.1737 9.583968 6076.638       329.1299 6153.000       469.7441 6003.000       461.2909 352.1566 13.65346 347.8589 13.57375 4.297699       19.25263 
1 1 1 -1  13 20 o 397.7117 10.76782 7810.574       418.7962 7720.000       587.7293 7904.000       596.9121 393.6321 15.28293 398.2756 15.34028 -4.643494      21.65392 
1 1 1 -1  13 21 o 151.5462 5.174275 1127.607       76.64140 1098.000       107.6838 1158.000       109.1048 149.2908 7.392032 153.3387 7.290065 -4.047821      10.38206 
1 1 1 -1  13 22 o 265.6764 7.522144 3473.612       195.4175 3535.000       279.6152 3415.000       273.2199 267.2637 10.71014 262.6981 10.64756 4.565643       15.10224 
1 1 1 -1  13 23 o 241.6083 9.924436 2887.000       234.2062 2887.000       234.2062 0.000000       0.000000 241.6083 9.924436 ?        ?        ?              ?        
1 1 1 -1  13 24 o 333.9333 7.422651 5486.312       242.6191 5486.312       242.6191 0.000000       0.000000 333.9333 7.422651 ?        ?        ?              ?        
1 1 1 -1  13 25 o 244.1846 4.893636 2925.260       116.9651 2854.728       132.3399 3177.000       250.0208 241.1317 5.606998 253.2821 10.10504 -12.15042      11.55639 
1 1 1 -1  13 26 o 278.2218 7.770519 3815.797       211.4082 3993.000       304.5509 3651.000       293.6972 283.6039 10.99169 271.1338 11.08990 12.47012       15.61419 
1 1 1 -1  13 27 o 181.6648 4.479839 1618.943       79.65984 1555.895       93.41471 1787.000       152.5140 177.9216 5.370042 190.1655 8.212903 -12.24390      9.812702 
1 1 1 -1  13 28 o 278.3018 5.500012 3805.306       149.8256 3770.425       171.6329 3917.000       307.1302 276.8491 6.333611 280.4399 11.21122 -3.590851      12.87657 
1 1 1 -1  13 29 o 98.08107 3.094007 471.9067       29.66669 471.7881       33.04038 472.4000       67.39127 98.04118 3.448316 97.65161 7.098948 0.3895721      7.892145 
1 1 1 -1  13 30 o 207.6420 4.350580 2116.425       88.42366 2140.343       102.1618 2045.000       176.5422 208.7121 5.000744 202.9570 8.908352 5.755081       10.21598 
1 1 1 -1  13 31 o 181.4626 3.981550 1616.173       70.72052 1609.083       80.96296 1639.000       145.2650 180.9245 4.575426 181.7292 8.187413 -0.8047791     9.379139 
1 1 1 -1  13 32 o 175.2844 3.885530 1508.488       66.66529 1531.288       76.96614 1440.000       133.3946 176.4598 4.459599 170.1976 8.029799 6.262192       9.185079 
1 1 1 -1  13 33 o 114.1142 3.233276 639.4612       36.07870 654.6987       41.16713 589.0000       74.91558 115.4144 3.648635 108.8165 7.071803 6.597900       7.957571 
1 1 1 -1  13 34 o 151.5777 3.581392 1128.678       53.13656 1133.493       60.75125 1113.000       109.6185 151.7597 4.093449 149.3947 7.520409 2.364990       8.562294 
1 1 1 -1  13 35 o 147.3695 3.556819 1067.509       51.30687 1070.702       58.58464 1057.000       106.2865 147.4377 4.063342 145.3847 7.494131 2.052979       8.524832 
1 1 1 -1  13 36 o 86.78458 3.218142 370.6270       27.28985 355.4729       30.16685 438.9000       64.03107 84.92458 3.637454 93.52978 7.045956 -8.605202      7.929475 
1 1 1 -1  13 37 o 79.98564 3.298069 315.1870       25.76590 301.9849       28.40888 376.4000       61.17221 78.21882 3.721207 86.37047 7.304147 -8.151649      8.197435 
1 1 1 -1  13 38 o 109.4311 3.290954 589.9536       35.21071 569.4186       39.25003 674.6000       79.68876 107.4051 3.739141 115.6891 7.070948 -8.284065      7.998717 
1 1 1 -1  13 39 o 53.10224 5.580822 141.9501       28.57493 141.9501       28.57493 0.000000       0.000000 53.10224 5.580822 ?        ?        ?              ?        
1 1 1 -1  13 40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  13 41 o 153.7406 5.320632 1180.819       79.94716 1180.819       79.94716 0.000000       0.000000 153.7406 5.320632 ?        ?        ?              ?        
1 1 1 -1  13 42 o 38.04620 8.671063 77.50903       31.57034 92.02000       40.51561 55.08000       50.37089 41.04350 10.14385 33.42296 12.04490 7.620541       15.74729 
1 1 1 -1  13 43 o 106.4749 4.092816 563.2163       42.57612 549.0003       50.79426 596.8000       78.07092 104.7529 4.968002 107.7953 7.444904 -3.042442      8.950288 
1 1 1 -1  13 44 o 57.19024 4.321323 163.7376       24.01151 154.9711       26.59477 202.4000       55.85083 55.43464 4.953411 61.15615 9.649636 -5.721508      10.84674 
1 1 1 -1  13 45 o 117.6254 3.507676 686.5615       40.34051 658.6475       45.32261 793.0000       88.50199 114.9528 4.034250 123.6194 7.347230 -8.666588      8.381943 
1 1 1 -1  13 46 o 43.21871 9.077187 103.4231       37.17604 75.54000       53.80191 128.9000       51.42813 36.18502 12.49965 47.01354 11.31329 -10.82852      16.85917 
1 1 1 -1  13 47 o 54.65446 4.198671 150.3213       22.28973 128.4405       24.54381 253.3000       53.24563 50.17780 5.066491 68.77418 8.062448 -18.59638      9.522205 
1 1 1 -1  13 48 o 102.7483 3.407181 525.4623       34.21960 504.5623       38.29387 608.3000       76.23776 100.4202 3.903280 107.4401 7.292544 -7.019875      8.271444 
1 1 1 -1  13 49 o 20.56589 7.169795 20.65782       17.72075 14.84147       19.49067 48.39000       42.55923 19.26182 7.383255 30.09128 11.03782 -10.82946      13.27953 
1 1 1 -1  13 50 o 54.50502 4.065176 149.8659       21.53193 130.4062       23.78325 238.3000       50.70067 50.49261 4.872584 66.26168 7.977376 -15.76907      9.347759 
1 1 1 -1  13 51 o 19.23487 7.083108 16.73089       17.55338 19.44755       19.18987 2.810000       43.43978 20.36782 7.421126 22.79587 10.03507 -2.428051      12.48102 
1 1 1 -1  13 52 o 18.95317 7.362319 14.16674       19.56769 14.16674       19.56769 0.000000       0.000000 18.95317 7.362319 ?        ?        ?              ?        
1 1 1 -1  13 53 o 62.94050 4.192039 200.9328       25.67907 206.7673       29.77627 184.0000       50.72643 63.49332 4.827287 56.37365 9.532345 7.119671       10.68496 
1 1 1 -1  13 54 o 20.58428 7.160892 21.46285       17.67176 23.20358       19.48624 13.40000       41.93786 21.37388 7.513601 23.56528 10.11932 -2.191399      12.60376 
1 1 1 -1  13 55 o 25.75348 6.938233 36.74384       17.88037 43.00270       19.77441 8.687000       41.86734 27.75275 7.213786 22.84469 9.959126 4.908060       12.29727 
1 1 1 -1  13 56 o 58.77038 3.852726 174.6933       22.04100 172.9241       24.66723 181.7000       49.08951 58.20842 4.361111 55.94144 9.290739 2.266987       10.26339 
1 1 1 -1  13 57 o 13.88511 6.196553 -4.346370      17.13142 1.422058       18.84189 -31.86000      41.14999 15.67267 6.757027 18.31529 8.665291 -2.642621      10.98839 
1 1 1 -1  13 58 o 36.67933 5.601189 71.40825       19.47316 66.61150       21.60200 92.21000       44.98524 34.91745 6.561243 37.79887 11.29388 -2.881420      13.06146 
1 1 1 -1  13 59 o 15.55718 6.667657 2.401707       18.14236 -0.9567872     19.87635 19.17000       44.41286 15.51886 6.811285 24.37432 10.43916 -8.855461      12.46474 
1 1 1 -1  13 60 o 35.36739 6.869728 69.62164       22.92465 69.62164       22.92465 0.000000       0.000000 35.36739 6.869728 ?        ?        ?              ?        
1 1 1 -1  13 61 o 26.54638 7.677402 40.82878       21.07665 53.83000       32.24223 31.12759       27.85131 29.47795 9.674733 23.94699 8.903120 5.530956       13.14785 
1 1 1 -1  14 1  o 521.4537 9.740485 13339.94       497.1673 13845.80       722.2612 12884.40       685.3884 530.4037 13.92378 511.6914 13.69661 18.71231       19.53123 
1 1 1 -1  14 2  o 507.8641 10.98656 12662.15       546.1543 13135.42       687.1000 11850.00       900.0842 516.6701 13.59809 489.5035 18.82049 27.16663       23.21894 
1 1 1 -1  14 3  o 284.1392 6.388589 3955.435       177.6815 3847.318       213.7777 4197.000       319.5441 280.0483 7.806334 292.1578 11.19467 -12.10947      13.64769 
1 1 1 -1  14 4  o 331.7015 6.366390 5390.512       206.7031 5541.089       298.8319 5252.377       286.2203 335.9956 9.094666 327.1340 8.946980 8.861572       12.75780 
1 1 1 -1  14 5  o 579.6385 12.47732 16511.35       707.9210 16330.00       1216.781 16604.15       870.3947 573.6631 21.70870 580.4576 15.33275 -6.794495      26.57745 
1 1 1 -1  14 6  o 444.3358 11.85437 9706.413       515.1193 0.000000       0.000000 9706.413       515.1193 ?        ?        444.3358 11.85437 ?              ?        
1 1 1 -1  14 7  o 330.6345 7.320303 5358.244       236.9100 0.000000       0.000000 5358.244       236.9100 ?        ?        330.6345 7.320303 ?              ?        
1 1 1 -1  14 8  o 160.0930 4.163658 1255.834       65.19059 1213.000       112.7128 1277.365       79.91304 157.1381 7.348356 161.4155 5.064119 -4.277420      8.924329 
1 1 1 -1  14 9  o 291.6622 5.661626 4167.339       161.6321 4126.000       322.9619 4181.153       186.6949 289.5587 11.41723 292.0984 6.529759 -2.539703      13.15260 
1 1 1 -1  14 10 o 394.9202 8.639801 7651.445       333.9791 7768.000       585.6515 7595.272       406.5688 396.6522 15.11187 393.0912 10.57619 3.560944       18.44518 
1 1 1 -1  14 11 o 520.9441 9.742326 13326.25       496.7752 13730.00       1016.018 13199.40       569.4904 525.6932 19.78054 518.1755 11.22802 7.517700       22.74507 
1 1 1 -1  14 12 o 459.6922 9.999670 10382.18       449.9445 11160.00       820.3081 10047.46       538.1171 474.3370 17.69889 451.6384 12.18363 22.69864       21.48701 
1 1 1 -1  14 13 o 206.6363 6.160712 2094.931       124.4682 1994.000       171.2354 2208.000       181.2397 201.3389 8.709396 211.8809 8.757748 -10.54201      12.35118 
1 1 1 -1  14 14 o 186.4777 5.742500 1706.088       104.6926 1565.000       141.2650 1878.000       155.9352 178.3672 8.112446 195.4182 8.170183 -17.05099      11.51363 
1 1 1 -1  14 15 o 207.4607 6.182884 2112.393       125.4146 1924.000       167.9282 2350.000       188.5908 197.7041 8.698937 218.5170 8.835386 -20.81291      12.39901 
1 1 1 -1  14 16 o 248.4236 7.097525 3031.402       172.4092 3045.000       244.7158 3018.000       242.9408 248.5227 10.08073 247.4217 10.05221 1.100967       14.23616 
1 1 1 -1  14 17 o 357.0114 9.729150 6279.247       339.6707 6313.000       482.1900 6246.000       478.5642 356.7758 13.83376 354.8852 13.80305 1.890656       19.54219 
1 1 1 -1  14 18 o 307.5794 8.516625 4656.367       256.1609 4719.000       365.6496 4596.000       358.9750 308.7538 12.12248 304.7153 12.05930 4.038452       17.09916 
1 1 1 -1  14 19 o 289.7678 8.092822 4132.026       229.3141 3974.000       316.3490 4307.000       332.8803 283.3948 11.42773 295.0132 11.54996 -11.61838      16.24791 
1 1 1 -1  14 20 o 140.0401 5.032403 962.9267       68.86957 948.0000       97.32047 977.9000       97.47225 138.7134 7.192259 140.9027 7.090117 -2.189270      10.09942 
1 1 1 -1  14 21 o 66.83202 5.492529 220.6236       35.61370 204.0000       50.32546 237.3000       50.40540 63.85924 8.243251 69.05573 7.581658 -5.196484      11.19968 
1 1 1 -1  14 22 o 321.8353 12.69317 5151.000       399.0778 5151.000       399.0778 0.000000       0.000000 321.8353 12.69317 ?        ?        ?              ?        
1 1 1 -1  14 23 o 162.5833 7.728900 1304.000       122.6464 1304.000       122.6464 0.000000       0.000000 162.5833 7.728900 ?        ?        ?              ?        
1 1 1 -1  14 24 o 180.9404 5.751338 1609.300       101.7323 1537.000       140.4917 1689.000       147.5068 176.4347 8.157129 184.9686 8.167327 -8.533905      11.54314 
1 1 1 -1  14 25 o 181.2213 8.177625 1622.000       144.6846 0.000000       0.000000 1622.000       144.6846 ?        ?        181.2213 8.177625 ?              ?        
1 1 1 -1  14 26 o 188.5236 8.396425 1757.000       154.5522 0.000000       0.000000 1757.000       154.5522 ?        ?        188.5236 8.396425 ?              ?        
1 1 1 -1  14 27 o 100.1204 5.074059 493.4562       49.56399 468.3000       70.03322 518.7000       70.15507 97.20187 7.416776 102.3874 7.043038 -5.185539      10.22805 
1 1 1 -1  14 28 o 198.7308 4.184013 1937.519       81.38877 1943.318       93.26615 1919.000       166.6625 198.9543 4.789218 196.8202 8.672203 2.134064       9.906751 
1 1 1 -1  14 29 o 303.0594 5.917333 4519.451       175.5335 4495.477       201.4681 4595.000       357.6476 301.9881 6.815696 302.7698 12.09236 -0.7817078     13.88088 
1 1 1 -1  14 30 o 133.7978 3.339519 877.8511       43.73601 883.3809       49.53637 858.3000       93.14496 134.1294 3.776821 131.6291 7.257469 2.500320       8.181396 
1 1 1 -1  14 31 o 109.2847 3.137315 586.1563       33.52538 605.9811       37.89170 514.7000       71.93809 111.0824 3.489246 101.7575 7.270380 9.324898       8.064321 
1 1 1 -1  14 32 o 81.83613 3.111876 328.9919       24.88179 353.8215       27.90895 232.8000       54.93240 84.84618 3.367195 67.90237 8.447002 16.94381       9.093396 
1 1 1 -1  14 33 o 82.52167 3.039467 334.5881       24.50919 336.0552       27.13908 328.1000       57.07256 82.66680 3.360967 80.97142 7.278532 1.695381       8.017052 
1 1 1 -1  14 34 o 118.6739 3.217375 692.1088       37.33897 693.8487       42.17481 685.8000       80.30790 118.7562 3.632465 117.2281 7.031060 1.528130       7.913950 
1 1 1 -1  14 35 o 35.46195 4.782065 63.16959       16.17642 60.66203       17.35455 79.78000       44.66603 34.64046 5.285391 38.94386 11.14979 -4.303394      12.33909 
1 1 1 -1  14 36 o 98.94157 3.134182 481.6186       30.31524 465.2399       33.50743 555.5000       71.16555 97.17486 3.528602 105.2308 6.947966 -8.055954      7.792642 
1 1 1 -1  14 37 o 89.59947 3.165832 395.3654       27.72149 381.1750       30.49516 462.9000       66.52678 87.90375 3.551504 95.78795 7.146954 -7.884201      7.980735 
1 1 1 -1  14 38 o 92.53711 3.574394 422.6999       32.31522 422.6999       32.31522 0.000000       0.000000 92.53711 3.574394 ?        ?        ?              ?        
1 1 1 -1  14 39 o 55.33153 4.163865 152.2662       22.38605 152.2662       22.38605 0.000000       0.000000 55.33153 4.163865 ?        ?        ?              ?        
1 1 1 -1  14 40 o 55.90260 3.936900 155.2846       21.40457 155.0545       23.34327 156.5000       53.64467 55.77832 4.308915 53.79484 10.56495 1.983479       11.40986 
1 1 1 -1  14 41 o 61.29171 4.147112 186.9514       24.73370 161.4471       27.22668 307.4000       59.16819 56.73161 4.952620 77.16473 7.947148 -20.43312      9.364058 
1 1 1 -1  14 42 o 37.35210 7.360732 73.40837       25.95434 73.40837       25.95434 0.000000       0.000000 37.35210 7.360732 ?        ?        ?              ?        
1 1 1 -1  14 43 o 116.9730 3.999151 679.7857       45.72150 678.6995       54.39734 682.4000       84.38876 116.5084 4.780104 115.0449 7.535431 1.463486       8.923682 
1 1 1 -1  14 44 o 95.32643 3.462603 450.6417       32.25522 457.3305       36.37043 426.0000       69.80865 95.87079 3.883792 90.17444 7.991626 5.696350       8.885377 
1 1 1 -1  14 45 o 116.2767 5.364547 684.6741       60.89198 725.1000       88.22626 647.9000       84.14701 117.6065 7.706547 111.0683 7.789413 6.538193       10.95746 
1 1 1 -1  14 46 f 57.20320 5.019447 166.3362       27.82037 156.7148       32.51932 192.6000       53.72823 55.00875 6.144346 58.87788 9.657270 -3.869129      11.44622 
1 1 1 -1  14 47 o 22.80086 7.128717 27.30464       17.66208 20.54654       19.20326 64.41000       44.99673 20.84976 7.446276 33.55666 11.43640 -12.70691      13.64691 
1 1 1 -1  14 48 o 57.48159 3.842579 165.7999       21.49594 161.4842       23.76694 185.2000       50.39067 56.53920 4.327434 57.63840 9.244031 -1.099194      10.20680 
1 1 1 -1  14 49 f 16.09846 6.589429 6.233173       16.51523 1.924146       17.96115 29.81000       42.01333 15.63670 6.666195 26.61903 10.64772 -10.98233      12.56233 
1 1 1 -1  14 50 o 73.17944 3.462698 267.6208       24.73297 267.4248       27.67049 268.4000       55.15980 72.95671 3.888815 70.10565 8.192572 2.851059       9.068688 
1 1 1 -1  14 51 o 77.61739 3.814457 302.6422       28.89121 302.6422       28.89121 0.000000       0.000000 77.61739 3.814457 ?        ?        ?              ?        
1 1 1 -1  14 52 o 27.98896 6.978336 43.23057       19.05110 48.37654       21.26949 22.35000       42.84446 29.46798 7.388486 25.08944 10.47283 4.378546       12.81678 
1 1 1 -1  14 53 o 38.49274 4.969803 76.96741       18.28855 82.43377       20.04978 49.89000       44.62357 39.70825 5.289970 29.67519 11.21975 10.03306       12.40430 
1 1 1 -1  14 54 o 32.96724 5.772341 57.87822       17.94859 52.29356       19.66355 85.77000       43.94420 30.89834 6.695365 36.93310 11.19108 -6.034761      13.04102 
1 1 1 -1  14 55 o 30.30310 6.247760 49.82379       17.91579 39.16941       19.66328 101.9000       43.47221 26.46877 7.335815 40.47312 10.78078 -14.00434      13.03991 
1 1 1 -1  14 56 o 43.25492 4.679699 96.53139       19.49829 98.57270       21.71585 88.04000       44.29067 43.45532 5.209060 37.16468 11.22956 6.290642       12.37890 
1 1 1 -1  14 57 o 26.94238 6.895036 40.40781       18.25727 42.91763       20.15322 28.92000       43.11639 27.61096 7.333787 25.76598 10.60765 1.844978       12.89600 
1 1 1 -1  14 58 o 42.95919 4.880309 95.84455       20.15824 95.97742       22.29709 95.25000       47.16766 42.68891 5.461033 38.14283 11.60184 4.546085       12.82286 
1 1 1 -1  14 59 o 27.87311 7.012242 43.70633       19.11197 40.37310       20.96942 60.06000       46.44748 26.58231 7.648745 30.89241 11.49510 -4.310101      13.80726 
1 1 1 -1  14 60 o 19.99562 7.333045 19.88347       18.78276 25.98236       20.59372 -10.29000      45.80593 21.99087 7.724669 20.95366 9.653167 1.037209       12.36342 
1 1 1 -1  15 1  o 337.4286 7.464518 5581.142       246.5414 5692.265       306.1171 5376.000       415.9246 340.5099 9.192826 330.4083 12.88519 10.10165       15.82834 
1 1 1 -1  15 2  o 311.2102 6.935538 4746.545       211.2712 4700.540       257.1925 4842.000       370.4701 309.4765 8.498372 313.6577 12.08941 -4.181183      14.77755 
1 1 1 -1  15 3  o 230.0989 4.644205 2592.833       104.6001 2651.284       150.2521 2537.866       145.7064 232.5106 6.608644 227.4831 6.550519 5.027496       9.305024 
1 1 1 -1  15 4  o 176.7180 3.820771 1529.055       66.09032 1488.233       92.13235 1572.328       94.85892 174.2220 5.409154 179.0808 5.417797 -4.858780      7.655813 
1 1 1 -1  15 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  15 6  o 431.8091 11.53568 9169.603       487.1380 0.000000       0.000000 9169.603       487.1380 ?        ?        431.8091 11.53568 ?              ?        
1 1 1 -1  15 7  o 328.5723 6.312298 5290.521       203.0134 5724.000       429.0046 5165.439       230.4497 340.8340 12.88235 324.5979 7.253110 16.23608       14.78386 
1 1 1 -1  15 8  o 568.4563 12.25829 15896.70       682.0765 15720.00       1172.282 15987.14       838.6471 561.9753 21.35007 569.1304 15.06758 -7.155151      26.13154 
1 1 1 -1  15 9  o 326.9409 7.262591 5241.541       232.4165 5373.000       410.3658 5179.459       282.0059 330.1122 12.72381 324.7226 8.880704 5.389648       15.51651 
1 1 1 -1  15 10 o 238.0242 5.522419 2776.169       128.6639 2814.000       226.3286 2758.105       156.3932 239.1454 9.688830 237.0824 6.746120 2.062943       11.80608 
1 1 1 -1  15 11 o 237.9075 4.760018 2772.765       110.8467 2900.000       231.2100 2734.794       126.3088 242.7363 9.751030 236.2367 5.462357 6.499588       11.17676 
1 1 1 -1  15 12 o 195.9365 4.080345 1880.359       78.25616 2045.000       168.3599 1834.985       88.38429 203.9034 8.453782 193.5352 4.665615 10.36821       9.655796 
1 1 1 -1  15 13 o 206.6306 6.151235 2095.412       124.2737 2063.000       174.2034 2129.000       177.3378 204.7389 8.712523 207.9916 8.730033 -3.252701      12.33376 
1 1 1 -1  15 14 f 428.7168 11.53257 9067.331       483.5132 8591.000       658.1141 9626.000       712.7283 415.6861 16.20550 439.8884 16.58264 -24.20230      23.18625 
1 1 1 -1  15 15 f 246.3291 7.044895 2980.914       169.6876 2995.000       240.7168 2967.000       239.2391 246.4409 9.999779 245.2870 9.985279 1.153854       14.13157 
1 1 1 -1  15 16 o 280.9829 7.865485 3882.613       216.1146 3934.000       308.3519 3833.000       302.9832 282.1490 11.18726 278.5101 11.13648 3.638885       15.78531 
1 1 1 -1  15 17 o 229.7010 6.695077 2592.547       150.3700 2399.000       202.9729 2828.000       223.8701 220.5179 9.425205 239.4281 9.571739 -18.91020      13.43327 
1 1 1 -1  15 18 o 333.8778 9.170978 5493.927       299.4318 5615.000       430.0490 5380.000       417.1658 336.3341 13.08792 329.2520 12.96954 7.082123       18.42560 
1 1 1 -1  15 19 o 296.8542 8.269499 4339.778       240.0520 4386.000       342.2123 4295.000       336.8214 297.4876 11.77550 294.4005 11.71177 3.087158       16.60807 
1 1 1 -1  15 20 o 389.8419 10.58982 7515.468       403.7206 7527.000       571.7451 7504.000       570.1524 388.0943 15.07948 387.5103 15.06014 0.5839844      21.31193 
1 1 1 -1  15 21 o 181.9269 8.160169 1633.000       144.9424 1633.000       144.9424 0.000000       0.000000 181.9269 8.160169 ?        ?        ?              ?        
1 1 1 -1  15 22 o 181.3882 8.193411 1624.000       145.0966 1624.000       145.0966 0.000000       0.000000 181.3882 8.193411 ?        ?        ?              ?        
1 1 1 -1  15 23 o 372.9901 10.20068 6886.326       372.0700 6663.000       514.5813 7131.000       538.6140 364.8333 14.43816 377.3463 14.61008 -12.51300      20.54057 
1 1 1 -1  15 24 o 155.8549 7.600698 1199.000       115.6029 0.000000       0.000000 1199.000       115.6029 ?        ?        155.8549 7.600698 ?              ?        
1 1 1 -1  15 25 o 274.8843 11.11944 3757.000       298.5672 0.000000       0.000000 3757.000       298.5672 ?        ?        274.8843 11.11944 ?              ?        
1 1 1 -1  15 26 o 131.5613 5.119675 851.2022       65.80322 795.2000       90.99231 912.6000       95.27493 126.8208 7.361712 135.9199 7.186800 -9.099106      10.28809 
1 1 1 -1  15 27 o 207.1249 6.312891 2112.951       127.8379 2121.000       181.3454 2105.000       180.2397 206.8551 8.977791 206.0781 8.956758 0.7770233      12.68165 
1 1 1 -1  15 28 o 154.1063 5.395216 1168.924       81.25779 1152.000       114.6598 1186.000       115.1737 152.5364 7.704422 154.7946 7.624823 -2.258240      10.83956 
1 1 1 -1  15 29 o 110.4031 5.113764 600.4943       55.11209 639.3000       81.63725 568.0000       74.70396 113.5255 7.386747 107.0226 7.172600 6.502975       10.29613 
1 1 1 -1  15 30 o 100.0248 5.164515 493.5221       50.39301 608.4000       77.26997 408.5000       66.47503 110.7105 7.168975 90.54499 7.569666 20.16551       10.42564 
1 1 1 -1  15 31 o 95.37150 2.887381 446.4223       26.92331 443.1542       29.51772 462.6000       65.67414 94.99284 3.179055 96.43050 7.005607 -1.437668      7.693174 
1 1 1 -1  15 32 o 148.9472 3.461657 1089.273       50.46876 1068.946       56.68486 1167.000       110.8478 147.4307 3.931521 153.1188 7.417995 -5.688019      8.395446 
1 1 1 -1  15 33 o 134.7913 3.302289 892.2631       43.56957 892.7466       49.18132 890.5000       93.92371 134.7126 3.733400 133.6135 7.208243 1.099106       8.117700 
1 1 1 -1  15 34 o 33.16330 3.894038 54.85554       12.39995 54.87285       12.93731 54.66000       43.47636 33.13928 4.073995 33.46430 11.24244 -0.3250160     11.95784 
1 1 1 -1  15 35 o 105.5429 3.052097 547.7551       31.49757 540.1860       34.89949 581.0000       73.14077 104.7494 3.408316 107.6490 6.978951 -2.899620      7.766748 
1 1 1 -1  15 36 o 117.5956 3.173279 680.5599       36.49289 673.5393       40.72073 709.2000       82.24644 116.9028 3.562802 118.7469 7.108554 -1.844101      7.951421 
1 1 1 -1  15 37 o 89.58324 3.347198 395.7159       29.29880 395.7159       29.29880 0.000000       0.000000 89.58324 3.347198 ?        ?        ?              ?        
1 1 1 -1  15 38 o 90.59875 3.449930 405.1570       30.53827 405.1570       30.53827 0.000000       0.000000 90.59875 3.449930 ?        ?        ?              ?        
1 1 1 -1  15 39 o 125.8673 3.300637 781.4487       40.62954 742.4736       44.73141 965.2000       97.12569 122.5524 3.733287 137.9147 7.219923 -15.36230      8.128020 
1 1 1 -1  15 40 o 50.98190 4.115423 129.5349       20.36259 131.6228       22.20557 118.5000       51.04948 51.31289 4.465519 46.29141 11.35409 5.021473       12.20067 
1 1 1 -1  15 41 o 41.03782 4.499525 84.65939       17.77810 73.88874       18.89852 167.5000       52.41175 38.13183 5.198537 55.73667 9.973036 -17.60484      11.24661 
1 1 1 -1  15 42 o 75.30839 3.359838 280.7171       24.70433 269.1364       26.95875 341.4000       61.71141 73.63282 3.752812 81.13055 7.869692 -7.497734      8.718696 
1 1 1 -1  15 43 o 22.81586 7.300622 26.48523       18.42807 26.48523       18.42807 0.000000       0.000000 22.81586 7.300622 ?        ?        ?              ?        
1 1 1 -1  15 44 o 83.89488 5.808959 358.5517       47.40782 336.8000       67.93448 379.2000       66.18915 79.25038 8.911830 84.78003 8.073381 -5.529648      12.02498 
1 1 1 -1  15 45 o 60.57787 4.309393 184.5554       25.38582 178.0762       28.54045 209.1000       55.54919 59.23979 4.967705 61.53851 9.529799 -2.298725      10.74687 
1 1 1 -1  15 46 o 48.26847 4.785730 118.4640       22.31351 114.0773       24.97757 135.8000       49.65425 47.06841 5.526598 48.43711 10.75343 -1.368698      12.09047 
1 1 1 -1  15 47 o 47.39911 4.886312 114.6690       22.34583 126.9007       25.29001 71.12000       47.71951 49.72210 5.276756 34.82954 11.77844 14.89256       12.90642 
1 1 1 -1  15 48 o 51.77691 4.017785 135.0315       20.20316 125.8153       22.18968 179.7000       48.85146 49.74566 4.609535 56.81479 9.090699 -7.069134      10.19258 
1 1 1 -1  15 49 f 63.64756 4.694359 206.0756       29.04005 214.2190       34.53061 186.4000       53.67411 64.43541 5.528239 56.94662 9.993526 7.488785       11.42068 
1 1 1 -1  15 50 o 19.73972 8.320891 7.855030       27.45750 7.855030       27.45750 0.000000       0.000000 19.73972 8.320891 ?        ?        ?              ?        
1 1 1 -1  15 51 o 17.86311 7.851139 -1.229671      26.49256 -20.57000      34.13185 28.08000       42.01781 17.66617 8.206327 25.95244 10.55279 -8.286270      13.36807 
1 1 1 -1  15 52 o 18.11050 6.784746 14.32944       16.23578 12.95901       17.59757 22.17000       42.09180 18.06474 6.991567 24.89271 10.38479 -6.827965      12.51902 
1 1 1 -1  15 53 o 19.67436 6.861749 19.36373       16.23164 14.08573       17.54583 50.69000       42.74579 18.33782 7.011161 29.69281 11.03158 -11.35499      13.07104 
1 1 1 -1  15 54 o 43.03000 4.518368 95.16090       18.74733 100.0196       20.62718 72.09000       44.94797 43.95742 4.875956 33.79545 11.43127 10.16198       12.42774 
1 1 1 -1  15 55 f 59.74130 3.701688 180.1055       21.53982 168.8720       23.76933 231.7000       50.94037 57.56704 4.248221 64.19714 8.300742 -6.630093      9.324682 
1 1 1 -1  15 56 o 20.48080 7.086708 21.51287       17.29673 15.40289       18.92735 52.46000       42.59708 18.98014 7.275653 29.83316 11.02552 -10.85302      13.20974 
1 1 1 -1  15 57 f 31.76198 6.266285 54.91323       18.78932 50.66356       20.76517 74.11000       44.13381 30.06176 7.159810 33.97038 11.32576 -3.908623      13.39909 
1 1 1 -1  15 58 o 23.93892 7.302782 31.97697       18.66999 37.05591       20.53695 7.791000       44.81581 25.57528 7.628351 22.99628 10.15515 2.579004       12.70114 
1 1 1 -1  15 59 o 19.82304 7.303778 19.17160       18.66852 26.34343       20.41254 -17.50000      46.15802 22.14276 7.696597 20.45071 9.514524 1.692053       12.23780 
1 1 1 -1  15 60 o 41.51582 5.898598 92.93604       23.29621 93.91979       26.70132 89.80000       47.67364 41.08666 6.882551 36.02522 11.76077 5.061443       13.62663 
1 1 1 -1  16 1  o 433.5370 9.447762 9226.072       400.9233 9644.679       506.5366 8524.000       655.9929 442.7615 11.69810 415.2242 16.17117 27.53732       19.95877 
1 1 1 -1  16 2  o 383.7268 7.281948 7219.297       273.5117 7395.369       393.6114 7054.901       380.3378 387.8849 10.37645 378.8620 10.26556 9.022858       14.59632 
1 1 1 -1  16 3  o 450.8104 12.04048 10002.87       530.8294 10530.00       778.1241 9544.000       725.9961 461.1806 17.26789 439.1285 16.92193 22.05215       24.17710 
1 1 1 -1  16 4  o 517.8705 13.75934 13222.46       696.8511 0.000000       0.000000 13222.46       696.8511 ?        ?        517.8705 13.75934 ?              ?        
1 1 1 -1  16 5  o 387.1942 7.340598 7351.766       278.2060 7286.747       391.1526 7418.331       395.7735 384.9589 10.39018 388.4165 10.41922 -3.457642      14.71448 
1 1 1 -1  16 6  o 440.2331 9.581022 9518.472       412.8580 9104.000       693.6855 9745.818       513.7589 428.7409 16.56071 444.9010 11.80793 -16.16010      20.33923 
1 1 1 -1  16 7  o 696.3339 12.95714 23891.57       883.1466 23670.00       1754.696 23966.74       1022.031 685.5514 26.19725 696.6361 14.98829 -11.08472      30.18186 
1 1 1 -1  16 8  o 467.8063 10.15992 10757.39       465.2245 10930.00       815.6151 10674.15       566.4014 469.1105 17.79475 465.3220 12.44671 3.788513       21.71575 
1 1 1 -1  16 9  o 453.4200 9.857877 10105.82       437.5123 10060.00       756.4465 10128.86       536.3191 450.0777 17.20223 453.2794 12.09872 -3.201782      21.03083 
1 1 1 -1  16 10 o 94.10227 2.933734 433.9867       26.98959 462.6000       61.85085 427.2568       29.99612 96.90207 6.559542 93.35241 3.287849 3.549660       7.337407 
1 1 1 -1  16 11 o 255.2559 5.846796 3194.389       146.0831 3331.000       261.7211 3132.568       176.0607 259.9778 10.30523 252.5667 7.128773 7.411133       12.53065 
1 1 1 -1  16 12 o 300.8692 8.213187 4450.102       241.6514 0.000000       0.000000 4450.102       241.6514 ?        ?        300.8692 8.213187 ?              ?        
1 1 1 -1  16 13 o 168.5811 5.408778 1394.753       89.13573 1377.000       125.2018 1413.000       126.9299 167.2694 7.667333 169.4456 7.672833 -2.176239      10.84714 
1 1 1 -1  16 14 o 224.9595 6.574114 2485.777       144.6045 2732.000       216.3607 2287.000       194.4006 235.4101 9.408552 215.3817 9.242603 20.02837       13.18888 
1 1 1 -1  16 15 o 203.4035 6.110802 2031.894       121.5262 2102.000       175.2812 1967.000       168.6392 206.5238 8.690216 199.7773 8.644407 6.746536       12.25747 
1 1 1 -1  16 16 f 212.1889 6.296885 2211.843       130.6393 2355.000       191.8200 2088.000       178.4116 218.5357 8.986545 205.7719 8.878792 12.76379       12.63293 
1 1 1 -1  16 17 o 156.9597 5.265334 1209.671       80.78024 1064.000       107.5772 1398.000       122.3182 146.9373 7.504515 168.4896 7.435028 -21.55231      10.56397 
1 1 1 -1  16 18 o 70.37445 5.388309 244.3865       36.83479 215.7000       51.38850 274.7000       52.82574 65.70869 8.165457 74.39372 7.350381 -8.685028      10.98648 
1 1 1 -1  16 19 o 181.9733 5.730888 1626.976       101.9516 1611.000       144.0723 1643.000       144.2906 180.7155 8.165870 182.5170 8.096754 -1.801559      11.49952 
1 1 1 -1  16 20 o 261.4819 10.60034 3387.000       270.7487 3387.000       270.7487 0.000000       0.000000 261.4819 10.60034 ?        ?        ?              ?        
1 1 1 -1  16 21 f 96.96339 5.072672 462.5650       47.97752 444.3000       67.24759 481.5000       68.46983 94.75282 7.307083 98.68607 7.136427 -3.933250      10.21382 
1 1 1 -1  16 22 o 272.2864 7.726934 3653.923       205.7311 3692.000       293.2132 3617.000       288.7339 272.7315 11.00614 269.9622 10.94941 2.769318       15.52497 
1 1 1 -1  16 23 o 98.37679 7.103749 478.7000       67.94409 0.000000       0.000000 478.7000       67.94409 ?        ?        98.37679 7.103749 ?              ?        
1 1 1 -1  16 24 o 219.3121 6.583220 2368.069       141.1611 2270.000       195.8925 2474.000       203.5942 214.0630 9.371817 223.5045 9.326708 -9.441544      13.22189 
1 1 1 -1  16 25 o 174.6621 5.709059 1500.901       97.47326 1418.000       133.6840 1595.000       142.4270 169.3146 8.089786 179.5856 8.123451 -10.27094      11.46451 
1 1 1 -1  16 26 o 189.4794 5.992397 1767.508       110.9999 1598.000       148.8272 1980.000       166.6325 179.6164 8.489082 199.9653 8.532931 -20.34891      12.03642 
1 1 1 -1  16 27 o 118.8546 5.098987 695.4066       59.18271 707.3000       83.85076 683.6000       83.54406 119.5267 7.200363 117.4808 7.301199 2.045876       10.25440 
1 1 1 -1  16 28 o 197.1429 6.153329 1916.335       118.5947 1945.000       169.7456 1889.000       165.7619 197.8557 8.786757 195.0078 8.706083 2.847839       12.36944 
1 1 1 -1  16 29 o 232.4838 6.901395 2672.170       156.8754 2817.000       229.9122 2546.000       214.5901 237.4445 9.914029 225.7996 9.731980 11.64493       13.89242 
1 1 1 -1  16 30 o 168.5172 5.618549 1401.376       92.54800 1406.000       132.7170 1397.000       129.1223 168.0564 8.091764 167.5848 7.893742 0.4716034      11.30433 
1 1 1 -1  16 31 o 104.1405 5.070003 535.6061       51.52605 540.7000       75.20741 531.1000       70.73568 104.1030 7.429429 103.2706 7.039794 0.8323135      10.23499 
1 1 1 -1  16 32 o 183.3934 5.887739 1665.265       105.5541 1749.000       153.9618 1591.000       144.9937 186.8259 8.440977 178.2231 8.334576 8.602798       11.86235 
1 1 1 -1  16 33 f 117.1296 5.063305 678.8347       57.91354 687.4000       83.51392 670.9000       80.38016 117.1798 7.317674 115.8273 7.124235 1.352524       10.21289 
1 1 1 -1  16 34 o 210.6858 6.470060 2211.840       133.2708 2188.000       187.8482 2236.000       189.1047 207.6156 9.266949 209.9176 9.225913 -2.302032      13.07646 
1 1 1 -1  16 35 o 63.76343 6.043581 204.0925       37.26979 211.2000       53.11666 197.2000       52.30753 64.04833 8.697099 61.78109 8.906657 2.267246       12.44862 
1 1 1 -1  16 36 o 128.3257 3.602097 812.1921       45.20073 812.1921       45.20073 0.000000       0.000000 128.3257 3.602097 ?        ?        ?              ?        
1 1 1 -1  16 37 o 103.0267 3.010867 522.6950       30.33063 520.2551       33.20178 535.0000       74.56187 102.7209 3.306455 102.6372 7.472941 0.8370972E-01  8.171749 
1 1 1 -1  16 38 o 74.41472 2.981621 273.0009       21.67392 280.9705       23.45782 226.5000       56.66290 75.45674 3.183171 65.80392 9.035439 9.652817       9.579757 
1 1 1 -1  16 39 o 63.62912 3.261738 200.1368       20.24695 185.1222       21.65448 304.5000       57.09053 61.11444 3.636350 76.96830 7.680277 -15.85386      8.497629 
1 1 1 -1  16 40 o 80.08920 3.010299 316.4899       23.55679 306.0229       25.31465 384.1000       64.33811 78.68869 3.293934 86.40334 7.687499 -7.714653      8.363470 
1 1 1 -1  16 41 o 100.8352 3.146876 502.1336       31.02175 505.3693       34.36747 487.9000       72.08018 101.0592 3.479476 97.29752 7.629446 3.761650       8.385416 
1 1 1 -1  16 42 o 62.57491 3.323619 194.0992       20.28417 190.0310       21.72263 221.8000       56.68406 61.84483 3.604032 64.34177 9.267304 -2.496933      9.943439 
1 1 1 -1  16 43 o 30.40096 10.38230 48.62936       37.08767 20.61000       54.54029 72.73000       50.58278 28.06485 11.77247 36.03867 12.12663 -7.973824      16.90107 
1 1 1 -1  16 44 o 42.29692 4.690094 90.82649       19.09167 90.82649       19.09167 0.000000       0.000000 42.29692 4.690094 ?        ?        ?              ?        
1 1 1 -1  16 45 o 43.00677 4.167330 93.31972       17.32329 93.62853       18.45935 91.04000       50.15443 42.98898 4.451177 39.08512 11.97825 3.903862       12.77856 
1 1 1 -1  16 46 o 38.02903 4.639371 73.84171       16.91248 74.65762       18.11685 68.31000       47.17298 38.12675 4.972926 34.30288 11.70929 3.823872       12.72153 
1 1 1 -1  16 47 o 74.07864 3.310591 273.3552       23.94451 270.6028       26.36755 286.3000       57.18211 73.55556 3.673879 72.72050 8.174773 0.8350601      8.962383 
1 1 1 -1  16 48 o 54.18872 3.740529 147.3978       19.71856 146.7328       21.41618 151.1000       50.53512 53.93616 4.086957 50.87830 10.49588 3.057861       11.26351 
1 1 1 -1  16 49 o 56.42880 4.001134 160.5787       21.95656 160.5787       21.95656 0.000000       0.000000 56.42880 4.001134 ?        ?        ?              ?        
1 1 1 -1  16 50 o 61.41858 4.553864 191.9935       27.18225 171.5000       31.68643 249.1000       52.89426 57.40163 5.715395 67.30949 8.197193 -9.907856      9.992984 
1 1 1 -1  16 51 o 13.11125 5.918012 -6.403961      16.12325 -10.85683      17.50491 18.51000       41.40581 12.97881 5.974959 24.25802 10.22138 -11.27921      11.83963 
1 1 1 -1  16 52 o 60.22319 4.070475 183.9012       23.85372 164.5569       26.67543 261.1000       53.28928 56.53174 4.868100 68.55342 8.097647 -12.02168      9.448295 
1 1 1 -1  16 53 o 18.27727 6.923656 14.34021       17.01209 17.96083       18.63203 -3.807000      41.71326 19.67912 7.288422 21.31759 9.579379 -1.638470      12.03684 
1 1 1 -1  16 54 o 44.82867 7.630649 111.6893       32.28452 144.5000       46.42783 80.97000       44.92371 49.16500 9.988651 35.61263 11.39912 13.55238       15.15629 
1 1 1 -1  16 55 o 36.97962 7.079998 75.49306       24.69422 92.63589       29.90380 38.74000       43.78566 40.59320 7.809536 27.47274 10.90923 13.12046       13.41641 
1 1 1 -1  16 56 o 38.56611 6.864036 81.60844       24.96157 96.77855       30.08454 48.09000       44.71889 41.54112 7.681633 29.03704 11.16989 12.50408       13.55633 
1 1 1 -1  16 57 o 22.44632 8.249541 25.55026       23.79159 36.86404       28.53474 -0.2526000     43.09273 25.72017 9.087882 21.79911 9.770795 3.921062       13.34384 
1 1 1 -1  16 58 o 51.93923 6.578011 146.4888       32.69342 146.4888       32.69342 0.000000       0.000000 51.93923 6.578011 ?        ?        ?              ?        
1 1 1 -1  16 59 o 17.17056 7.852225 -9.835687      29.55581 19.47000       40.01166 -45.03000      43.84770 23.44062 9.969865 17.63822 8.504830 5.802395       13.10459 
1 1 1 -1  17 1  o 275.3725 6.253969 3717.297       168.5709 3669.316       204.8296 3818.000       296.7438 273.3712 7.662355 278.4030 10.91047 -5.031769      13.33229 
1 1 1 -1  17 2  o 228.1105 6.564403 2553.370       146.4181 2478.000       203.0573 2635.000       211.3229 224.4201 9.263718 231.4209 9.348296 -7.000778      13.16082 
1 1 1 -1  17 3  o 229.1401 6.570197 2576.548       147.2099 0.000000       0.000000 2576.548       147.2099 ?        ?        229.1401 6.570197 ?              ?        
1 1 1 -1  17 4  o 248.9510 4.959677 3036.504       120.8575 3002.845       169.8598 3071.016       171.9968 247.3340 7.023289 250.1270 7.032095 -2.793030      9.938660 
1 1 1 -1  17 5  o 274.0375 5.384604 3680.165       144.4342 3482.402       197.5070 3907.498       211.7585 266.2936 7.585048 282.0799 7.676554 -15.78632      10.79178 
1 1 1 -1  17 6  o 344.5201 6.596308 5820.935       222.4445 5956.000       452.5743 5777.912       255.4272 347.1505 13.34367 343.1292 7.605071 4.021301       15.35873 
1 1 1 -1  17 7  o 395.5576 7.498171 7678.736       290.3162 7665.000       580.5933 7683.315       335.2358 393.2743 15.11051 395.4943 8.659720 -2.220062      17.41603 
1 1 1 -1  17 8  o 402.4541 8.810830 7958.691       347.0879 7649.000       585.7798 8126.244       430.8687 392.6979 15.26856 406.1094 10.84888 -13.41153      18.73038 
1 1 1 -1  17 9  o 274.4107 5.381269 3691.164       144.5413 3887.000       300.8251 3632.382       164.8126 280.6891 10.97032 272.1479 6.186985 8.541199       12.59471 
1 1 1 -1  17 10 o 350.5064 6.700373 6028.325       229.8800 6158.000       468.0496 5987.100       263.9029 352.5824 13.58747 349.1573 7.721769 3.425110       15.62834 
1 1 1 -1  17 11 o 345.1056 9.411600 5864.956       317.6260 5877.000       450.0221 5853.000       448.3644 344.3819 13.37562 343.6840 13.35343 0.6979065      18.90030 
1 1 1 -1  17 12 o 300.7187 6.755331 4439.138       198.8444 4858.000       366.8578 4264.891       236.6166 313.3596 11.98256 294.4333 8.218205 18.92621       14.52999 
1 1 1 -1  17 13 o 299.4252 8.307739 4412.302       243.2526 4622.000       354.6474 4226.000       334.2778 305.5874 11.87909 292.2300 11.71000 13.35733       16.68043 
1 1 1 -1  17 14 o 212.6451 6.302720 2221.373       131.0419 2300.000       189.2828 2149.000       181.5983 215.9668 8.973571 208.7563 8.907699 7.210434       12.64405 
1 1 1 -1  17 15 o 238.9696 6.906903 2807.416       161.3899 2492.000       211.6096 3246.000       249.5287 224.6471 9.645871 256.3713 9.962591 -31.72417      13.86709 
1 1 1 -1  17 16 o 166.9881 5.414417 1369.440       88.38305 1458.000       128.9607 1291.000       121.3695 172.0156 7.678553 161.8435 7.683336 10.17209       10.86250 
1 1 1 -1  17 17 o 207.6968 6.219517 2120.253       126.2999 2083.000       176.8851 2159.000       180.3968 205.4207 8.817660 209.1383 8.832181 -3.717590      12.48033 
1 1 1 -1  17 18 o 381.9571 10.41128 7216.796       388.8835 7741.000       576.8218 6780.000       526.5400 393.3638 15.00854 368.3007 14.63484 25.06308       20.96270 
1 1 1 -1  17 19 o 206.4153 8.881706 2105.000       179.0305 2105.000       179.0305 0.000000       0.000000 206.4153 8.881706 ?        ?        ?              ?        
1 1 1 -1  17 20 o 199.3563 6.123098 1954.297       119.3417 1826.000       162.3805 2105.000       175.9889 192.2384 8.651711 206.4125 8.730215 -14.17413      12.29100 
1 1 1 -1  17 21 o 270.2141 7.693605 3598.832       203.2833 3349.000       274.3466 3903.000       302.7144 259.7624 10.81354 280.3734 11.05202 -20.61105      15.46220 
1 1 1 -1  17 22 o 256.4199 10.50351 3263.000       263.0704 0.000000       0.000000 3263.000       263.0704 ?        ?        256.4199 10.50351 ?              ?        
1 1 1 -1  17 23 o 87.20028 5.357982 374.8249       45.51172 357.7000       64.31626 392.0000       64.41043 84.82529 7.834697 88.89078 7.471849 -4.065483      10.82640 
1 1 1 -1  17 24 o 176.5353 5.749467 1533.452       99.21689 1489.000       138.7255 1580.000       141.9580 173.4755 8.192964 178.7222 8.136091 -5.246719      11.54646 
1 1 1 -1  17 25 o 293.0179 8.270069 4245.440       236.9599 4092.000       327.0500 4415.000       343.8011 286.2098 11.69876 297.2353 11.84052 -11.02548      16.64508 
1 1 1 -1  17 26 o 242.2357 7.094535 2896.852       168.0352 3021.000       244.6602 2786.000       231.1870 246.2611 10.17179 236.5397 10.00773 9.721405       14.26954 
1 1 1 -1  17 27 f 105.9266 5.175077 552.9941       53.49482 557.1000       77.73207 549.3000       73.73250 105.9079 7.547818 105.2293 7.201818 0.6786423      10.43244 
1 1 1 -1  17 28 o 55.33484 7.194698 153.8400       38.04702 167.0000       57.51468 143.6000       50.73416 56.89946 10.71991 52.78387 10.18861 4.115582       14.78933 
1 1 1 -1  17 29 o 128.8737 5.208699 819.1832       65.56982 814.8000       94.21845 823.3000       91.30943 127.9836 7.554602 128.7263 7.276356 -0.7427368     10.48892 
1 1 1 -1  17 30 o 206.5070 6.363810 2111.146       128.4812 2386.000       195.7175 1903.000       170.3185 218.2255 9.183107 194.9652 8.948667 23.26030       12.82217 
1 1 1 -1  17 31 o 120.9293 5.113619 722.6866       60.39272 710.2000       86.42965 734.6000       84.42215 119.2375 7.442428 121.3735 7.137526 -2.135979      10.31184 
1 1 1 -1  17 32 o 201.7102 6.266110 2020.841       123.5677 2116.000       179.9862 1936.000       169.9479 204.8322 8.999039 195.9856 8.882100 8.846542       12.64414 
1 1 1 -1  17 33 o 88.94548 5.389889 393.1428       46.70538 358.1000       66.33145 427.6000       65.77483 84.04460 8.165942 92.19189 7.349685 -8.147293      10.98638 
1 1 1 -1  17 34 o 181.8906 5.922466 1646.837       105.3027 1768.000       155.0082 1543.000       143.4980 186.8272 8.498598 174.5638 8.423044 12.26335       11.96553 
1 1 1 -1  17 35 o 97.08789 7.596617 478.0000       71.61800 478.0000       71.61800 0.000000       0.000000 97.08789 7.596617 ?        ?        ?              ?        
1 1 1 -1  17 36 o 110.2296 5.183817 605.1724       55.77454 659.9000       81.47141 556.9000       76.51584 114.1447 7.330697 104.7330 7.513754 9.411697       10.49741 
1 1 1 -1  17 37 o 133.7569 7.536839 909.8000       98.27683 0.000000       0.000000 909.8000       98.27683 ?        ?        133.7569 7.536839 ?              ?        
1 1 1 -1  17 38 o 111.7182 7.493012 637.0000       81.46444 0.000000       0.000000 637.0000       81.46444 ?        ?        111.7182 7.493012 ?              ?        
1 1 1 -1  17 39 f 31.55742 10.23509 51.92365       36.13827 36.61000       52.00845 66.22000       50.25129 30.55742 11.96455 35.52485 12.08610 -4.967436      17.00660 
1 1 1 -1  17 40 o 67.69131 6.338685 233.3184       41.51043 228.1000       59.70850 238.2000       57.74971 65.33637 9.624290 67.12159 9.017788 -1.785217      13.18891 
1 1 1 -1  17 41 o 130.2683 5.438556 853.4554       69.19460 754.2000       94.19405 969.8000       101.9810 120.5507 8.028414 137.1275 7.627871 -16.57689      11.07429 
1 1 1 -1  17 42 o 113.3740 5.432495 648.9815       60.11091 622.0000       84.67023 676.4000       85.35322 109.0728 7.985985 114.0214 7.692661 -4.948631      11.08842 
1 1 1 -1  17 43 o 27.70570 10.34126 36.23571       37.64776 -16.44000      54.71425 83.60000       51.88248 23.79844 10.80573 37.92539 12.26064 -14.12695      16.34280 
1 1 1 -1  17 44 o 36.50286 3.707764 66.98756       13.06422 62.01249       13.48772 142.5000       52.54706 35.02895 4.005677 49.49260 11.11890 -14.46366      11.81843 
1 1 1 -1  17 45 o 69.15624 3.288182 237.9815       22.19462 236.8250       24.02899 244.7000       57.91724 68.88449 3.575998 66.67854 9.112062 2.205956       9.788637 
1 1 1 -1  17 46 o 77.77592 3.053871 300.4204       23.20370 302.9113       25.26549 287.0000       58.64479 77.99663 3.316946 72.68393 8.397224 5.312698       9.028594 
1 1 1 -1  17 47 o 42.97785 3.825464 93.03955       15.92492 100.1404       16.89855 36.69000       47.60349 44.57077 3.913083 28.47807 11.35313 16.09270       12.00857 
1 1 1 -1  17 48 o 31.50397 5.125137 51.72538       15.26162 51.72538       15.26162 0.000000       0.000000 31.50397 5.125137 ?        ?        ?              ?        
1 1 1 -1  17 49 f 51.24870 3.785727 132.2878       18.85652 134.3895       20.48188 120.6000       48.30017 51.53402 4.094032 44.47455 11.12434 7.059467       11.85378 
1 1 1 -1  17 50 o 17.81948 6.307514 15.12510       13.75064 10.65990       14.50213 54.89000       43.27744 16.54747 6.362083 30.75990 11.15381 -14.21243      12.84070 
1 1 1 -1  17 51 o 25.15158 6.052635 34.29803       14.71979 37.07830       15.70117 14.12000       42.29882 26.10572 6.231254 23.73454 10.17687 2.371178       11.93303 
1 1 1 -1  17 52 o 49.64415 3.731216 124.5201       17.99845 118.6877       19.42542 159.9000       47.84343 48.28267 4.150535 52.09334 9.740852 -3.810677      10.58825 
1 1 1 -1  17 53 o 25.18579 6.314326 34.73376       15.53547 35.08511       16.66391 32.40000       42.94749 25.21936 6.654908 26.38867 10.69136 -1.169315      12.59337 
1 1 1 -1  17 54 o 20.41319 6.703616 21.96151       15.47887 24.03996       16.68087 9.079000       41.52878 21.24720 6.958002 22.73523 9.914970 -1.488035      12.11282 
1 1 1 -1  17 55 o 52.97207 3.752593 141.9438       19.33144 141.9141       21.08947 142.1000       48.36308 52.79538 4.113410 48.07093 10.56699 4.724445       11.33937 
1 1 1 -1  17 56 o 19.68841 6.835099 19.76201       16.09625 19.16721       17.39323 23.31000       42.47991 19.70199 7.080707 24.74030 10.38453 -5.038307      12.56880 
1 1 1 -1  17 57 o 22.13693 7.195599 26.69177       17.85597 26.69177       17.85597 0.000000       0.000000 22.13693 7.195599 ?        ?        ?              ?        
1 1 1 -1  17 58 o 28.46995 6.850714 45.54618       18.85853 36.24907       20.73380 90.08000       45.37843 25.19276 7.697899 36.68956 11.41974 -11.49680      13.77200 
1 1 1 -1  17 59 o 35.52649 5.437918 67.52479       18.30926 67.03294       19.95686 70.14000       46.01825 35.06546 6.031887 32.20733 11.52422 2.858128       13.00736 
1 1 1 -1  18 1  o 482.6838 12.90345 11508.05       609.0952 0.000000       0.000000 11508.05       609.0952 ?        ?        482.6838 12.90345 ?              ?        
1 1 1 -1  18 2  o 130.7769 4.720211 839.0801       60.32340 743.9000       80.88036 958.4000       90.55789 122.9588 6.745967 139.6210 6.645346 -16.66219      9.469356 
1 1 1 -1  18 3  o 214.5524 4.421958 2255.230       92.86544 2429.354       137.2402 2108.167       126.1257 222.4735 6.308640 207.2413 6.224632 15.23221       8.862560 
1 1 1 -1  18 4  o 323.0167 6.223893 5117.217       196.7856 5149.084       279.6734 5085.970       276.9404 323.5586 8.838916 321.5738 8.806605 1.984802       12.47729 
1 1 1 -1  18 5  o 406.5985 7.704839 8117.835       306.6448 8352.500       443.0781 7902.112       424.8203 411.5846 11.00791 400.3683 10.85026 11.21634       15.45646 
1 1 1 -1  18 6  f 220.1903 4.503447 2375.636       97.06205 2415.000       197.1151 2363.037       111.5192 221.4225 9.114261 219.5636 5.188993 1.858856       10.48787 
1 1 1 -1  18 7  o 480.2602 10.44104 11362.16       490.8249 11120.00       838.1121 11488.57       605.5250 471.6784 18.18714 481.9544 12.84717 -10.27597      22.26706 
1 1 1 -1  18 8  o 182.1545 4.544169 1625.991       81.02158 1633.000       142.5883 1622.650       98.46143 182.1238 8.018197 181.8264 5.538724 0.2974396      9.745201 
1 1 1 -1  18 9  o 334.3864 7.432499 5492.206       243.2706 5466.000       420.8689 5505.354       298.1175 332.1171 12.97135 334.3594 9.117448 -2.242310      15.85509 
1 1 1 -1  18 10 o 122.8710 3.169303 739.8838       38.08525 778.1000       82.29372 729.4677       42.96309 125.7176 6.711834 121.9782 3.602326 3.739380       7.617445 
1 1 1 -1  18 11 o 244.1781 6.987234 2930.598       166.8290 2898.000       234.5062 2964.000       237.3837 242.2903 9.908991 245.0364 9.917733 -2.746078      14.01961 
1 1 1 -1  18 12 o 195.2943 4.764492 1869.778       91.07776 1842.000       158.3957 1883.498       111.3213 193.3161 8.390825 195.8430 5.813595 -2.526901      10.20803 
1 1 1 -1  18 13 o 138.3891 4.416428 939.6761       59.74791 0.000000       0.000000 939.6761       59.74791 ?        ?        138.3891 4.416428 ?              ?        
1 1 1 -1  18 14 o 294.5000 6.615673 4260.046       190.7065 3800.000       309.3359 4542.101       242.2124 276.9261 11.43657 303.7015 8.155234 -26.77545      14.04646 
1 1 1 -1  18 15 o 104.3416 4.769073 535.0012       48.57891 559.9000       69.71486 511.5000       67.73005 106.5395 6.719333 101.7970 6.837007 4.742523       9.586142 
1 1 1 -1  18 16 o 264.3474 7.504725 3440.358       193.9886 3313.000       267.7846 3581.000       281.4045 258.6418 10.59990 268.8822 10.71354 -10.24036      15.07109 
1 1 1 -1  18 17 o 167.7997 7.794013 1389.000       127.6646 1389.000       127.6646 0.000000       0.000000 167.7997 7.794013 ?        ?        ?              ?        
1 1 1 -1  18 18 o 226.3294 9.492162 2534.000       209.8201 2534.000       209.8201 0.000000       0.000000 226.3294 9.492162 ?        ?        ?              ?        
1 1 1 -1  18 19 o 263.4948 7.520923 3420.834       193.7781 3400.000       272.9696 3442.000       275.1305 261.8058 10.67432 263.4144 10.69293 -1.608521      15.10894 
1 1 1 -1  18 20 o 126.8522 5.144885 791.1022       63.74963 915.9000       97.02521 696.3000       84.56496 136.2114 7.303919 118.7106 7.313212 17.50080       10.33587 
1 1 1 -1  18 21 o 162.7279 7.783474 1308.000       123.6178 0.000000       0.000000 1308.000       123.6178 ?        ?        162.7279 7.783474 ?              ?        
1 1 1 -1  18 22 o 158.8003 5.488698 1240.271       85.18705 1169.000       117.9435 1318.000       123.1718 153.7633 7.862478 163.3198 7.726800 -9.556473      11.02370 
1 1 1 -1  18 23 o 226.7443 6.742127 2533.738       149.4710 2440.000       206.4524 2637.000       216.6865 221.7399 9.534236 230.5027 9.625125 -8.762817      13.54787 
1 1 1 -1  18 24 o 205.3186 6.295536 2076.835       126.3729 2058.000       177.9485 2096.000       179.4981 203.7028 8.946469 205.5798 8.941556 -1.876984      12.64874 
1 1 1 -1  18 25 o 229.6546 6.827618 2602.733       153.3091 2577.000       215.7067 2629.000       217.9341 227.5588 9.706496 229.8463 9.708689 -2.287506      13.72861 
1 1 1 -1  18 26 o 102.6272 5.271140 519.3526       52.77348 516.3000       75.96571 522.2000       73.36800 101.8997 7.672557 102.5477 7.358193 -0.6479187     10.63067 
1 1 1 -1  18 27 o 115.1466 5.218629 653.7580       58.66560 672.9000       85.59531 636.8000       80.56441 116.3560 7.556317 113.2355 7.307677 3.120468       10.51190 
1 1 1 -1  18 28 o 76.04304 5.865102 286.9094       43.31861 237.4000       62.17948 333.6000       60.38352 68.31020 9.560879 81.66865 7.642414 -13.35845      12.23997 
1 1 1 -1  18 29 o 204.0020 6.323555 2060.184       126.1180 2105.000       181.1187 2018.000       175.7195 205.0004 9.048436 200.7538 8.964927 4.246582       12.73751 
1 1 1 -1  18 30 o 229.9317 6.883824 2627.333       154.7553 2549.000       215.3412 2711.000       222.5509 224.7236 9.813421 231.7526 9.833014 -7.028961      13.89213 
1 1 1 -1  18 31 o 70.08351 6.006139 245.1669       40.80505 217.1000       57.98613 272.7000       57.43197 64.99223 9.386628 73.37407 8.133009 -8.381836      12.41993 
1 1 1 -1  18 32 o 164.8636 5.638776 1348.864       90.86073 1525.000       137.4055 1212.000       121.1223 174.0581 8.087095 155.1778 8.001238 18.88029       11.37633 
1 1 1 -1  18 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  18 34 f 115.4946 7.512863 674.6000       84.47143 674.6000       84.47143 0.000000       0.000000 115.4946 7.512863 ?        ?        ?              ?        
1 1 1 -1  18 35 o 99.49005 5.291626 493.5452       51.34642 540.0000       75.98180 454.5000       69.65908 103.1010 7.582085 94.54063 7.591295 8.560402       10.72920 
1 1 1 -1  18 36 o 109.4968 7.354044 609.1000       78.36250 0.000000       0.000000 609.1000       78.36250 ?        ?        109.4968 7.354044 ?              ?        
1 1 1 -1  18 37 o 67.09398 8.927280 235.6000       57.17494 0.000000       0.000000 235.6000       57.17494 ?        ?        67.09398 8.927280 ?              ?        
1 1 1 -1  18 38 o 133.1770 5.403762 887.8932       70.29570 891.8000       100.1535 884.1000       98.68898 131.8958 7.792351 131.3875 7.707618 0.5082855      10.96030 
1 1 1 -1  18 39 o 71.13767 6.327682 257.3762       43.60130 268.9000       63.02749 246.8000       60.38074 71.26118 9.254253 68.21571 9.283579 3.045464       13.10824 
1 1 1 -1  18 40 o 143.2984 5.547608 1032.907       77.66624 1038.000       110.8700 1028.000       108.8317 141.5788 8.033322 141.0041 7.917082 0.5747070      11.27894 
1 1 1 -1  18 41 o 91.87202 5.731913 427.8045       51.28851 353.7000       70.32601 512.0000       74.96151 81.50533 8.962769 99.13984 7.787203 -17.63451      11.87315 
1 1 1 -1  18 42 o 79.62801 6.103364 324.6867       47.20829 402.9000       69.55964 257.9000       64.27794 87.22275 8.245311 68.53994 9.864776 18.68281       12.85686 
1 1 1 -1  18 43 o 67.55582 6.608325 237.3782       43.13962 174.0000       60.21750 304.2000       61.83180 54.47941 11.64541 75.12347 8.561337 -20.64405      14.45379 
1 1 1 -1  18 44 o 47.44286 8.375163 122.9425       37.47140 92.57000       53.08692 153.1000       52.89870 39.10876 12.37720 51.38802 10.85727 -12.27926      16.46437 
1 1 1 -1  18 45 o 48.14119 8.188474 126.5748       37.20536 160.1000       56.18899 100.4000       49.64857 51.96543 11.36395 40.69234 11.78771 11.27309       16.37344 
1 1 1 -1  18 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  18 47 o 65.23907 6.481130 223.6525       40.84038 296.5000       61.99517 167.8000       54.28397 73.17299 8.834261 53.34483 10.76771 19.82816       13.92795 
1 1 1 -1  18 48 o 25.30209 10.53724 21.82000       43.22695 0.000000       0.000000 21.82000       43.22695 ?        ?        25.30209 10.53724 ?              ?        
1 1 1 -1  18 49 o 34.22284 9.816741 69.23882       34.59251 47.49000       51.67439 86.90000       46.56584 30.06277 11.87870 37.28973 11.56199 -7.226959      16.57659 
1 1 1 -1  18 50 f 55.18701 6.921290 164.3042       36.56771 154.8000       54.09841 172.3000       49.62038 49.86019 11.34146 54.27283 9.696397 -4.412647      14.92142 
1 1 1 -1  18 51 o 22.56065 9.083802 20.34951       30.78966 33.44000       45.71568 9.482000       41.65356 26.93049 10.98604 22.89898 9.958873 4.031506       14.82809 
1 1 1 -1  18 52 o 22.96138 9.075265 22.90355       30.16941 56.61000       42.82724 -10.30000      42.50654 30.76518 11.10387 20.74322 9.459542 10.02196       14.58694 
1 1 1 -1  18 53 o 23.33378 9.034518 25.58389       29.39315 37.47000       40.48154 12.33000       42.74731 26.95497 10.55523 23.40841 10.13508 3.546555       14.63327 
1 1 1 -1  18 54 o 15.04422 7.106675 -24.18144      27.47836 -1.516000      37.93552 -49.20000      39.85613 20.61560 9.209157 16.58067 8.022636 4.034931       12.21357 
1 1 1 -1  18 55 o 40.96399 8.277658 96.21998       32.04732 120.1000       44.92619 71.48000       45.72796 43.92780 10.57603 33.33160 11.52319 10.59620       15.64085 
1 1 1 -1  18 56 o 64.80466 8.327889 238.3000       51.60631 238.3000       51.60631 0.000000       0.000000 64.80466 8.327889 ?        ?        ?              ?        
1 1 1 -1  18 57 o 32.08257 11.43423 66.87000       45.25731 0.000000       0.000000 66.87000       45.25731 ?        ?        32.08257 11.43423 ?              ?        
1 1 1 -1  18 58 o 27.90097 9.466344 47.12258       30.82527 82.62000       42.12250 6.194000       45.23026 35.25578 11.00692 22.53567 10.06204 12.72011       14.91298 
1 1 1 -1  18 59 o 29.73860 11.37139 57.87000       46.15874 0.000000       0.000000 57.87000       46.15874 ?        ?        29.73860 11.37139 ?              ?        
1 1 1 -1  19 1  o 255.0598 7.205030 3196.892       179.7003 3260.000       257.5235 3137.000       250.8759 257.0347 10.25633 252.1456 10.18583 4.889099       14.45487 
1 1 1 -1  19 2  o 317.5593 6.142987 4947.338       190.9460 5113.572       276.4357 4795.648       264.0658 322.3308 8.769802 312.1663 8.650453 10.16452       12.31827 
1 1 1 -1  19 3  o 336.2376 7.483467 5553.182       246.2948 5894.540       313.8540 5006.000       397.3646 345.9603 9.276567 317.8898 12.79661 28.07050       15.80531 
1 1 1 -1  19 4  o 203.0172 4.914082 2020.379       97.65205 1996.597       118.7690 2070.000       171.5613 201.6490 6.024042 204.9866 8.569324 -3.337585      10.47485 
1 1 1 -1  19 5  o 274.3390 6.236452 3693.095       167.4678 3517.000       282.0779 3788.950       208.1144 266.8024 10.82370 277.5862 7.666801 -10.78378      13.26395 
1 1 1 -1  19 6  o 113.2206 3.670939 628.6180       40.62882 588.6000       71.20898 647.9330       49.47147 109.2943 6.688298 114.8993 4.406940 -5.604988      8.009647 
1 1 1 -1  19 7  o 160.0686 4.207603 1256.419       65.86741 1182.000       112.3789 1295.363       81.29519 154.9267 7.432261 162.4572 5.118727 -7.530487      9.024405 
1 1 1 -1  19 8  o 199.5715 4.189064 1951.770       81.83173 1900.000       162.4657 1969.369       94.72507 196.3396 8.473662 200.4271 4.828388 -4.087570      9.752758 
1 1 1 -1  19 9  o 230.2704 4.666665 2599.340       105.1843 2539.000       208.8992 2619.834       121.7431 226.8190 9.429733 231.1140 5.381606 -4.294968      10.85733 
1 1 1 -1  19 10 o 167.6345 5.397180 1379.847       88.44434 1281.000       120.8135 1494.000       129.8312 161.2355 7.677111 174.1590 7.634547 -12.92348      10.82702 
1 1 1 -1  19 11 o 164.0415 5.334119 1321.418       85.53517 1310.000       120.5357 1333.000       121.3989 163.0531 7.573003 164.4831 7.560499 -1.429977      10.70101 
1 1 1 -1  19 12 o 175.9094 5.270608 1519.394       90.64959 0.000000       0.000000 1519.394       90.64959 ?        ?        175.9094 5.270608 ?              ?        
1 1 1 -1  19 13 o 168.8305 4.332221 1398.263       71.53339 1483.000       130.2126 1361.636       85.60858 173.4490 7.688749 166.5109 5.259124 6.938080       9.315324 
1 1 1 -1  19 14 o 44.44698 3.384895 97.34743       14.61555 0.000000       0.000000 97.34743       14.61555 ?        ?        44.44698 3.384895 ?              ?        
1 1 1 -1  19 15 o 313.2356 8.681319 4840.586       265.9157 4804.000       373.9763 4878.000       378.1822 310.7966 12.31750 313.1669 12.36155 -2.370331      17.45075 
1 1 1 -1  19 16 o 177.7771 8.054849 1560.000       139.8008 1560.000       139.8008 0.000000       0.000000 177.7771 8.054849 ?        ?        ?              ?        
1 1 1 -1  19 17 o 228.3149 9.561481 2580.000       213.2079 2580.000       213.2079 0.000000       0.000000 228.3149 9.561481 ?        ?        ?              ?        
1 1 1 -1  19 18 o 156.1407 5.388444 1198.366       82.23080 1171.000       114.9967 1227.000       117.6319 154.0061 7.652503 157.6555 7.645512 -3.649384      10.81733 
1 1 1 -1  19 19 o 168.7147 7.900516 1406.000       130.1088 0.000000       0.000000 1406.000       130.1088 ?        ?        168.7147 7.900516 ?              ?        
1 1 1 -1  19 20 o 175.0687 8.084229 1515.000       138.1591 0.000000       0.000000 1515.000       138.1591 ?        ?        175.0687 8.084229 ?              ?        
1 1 1 -1  19 21 f 200.7007 6.192818 1983.114       121.5132 1912.000       168.5900 2060.000       175.2975 196.4762 8.788535 203.9492 8.801791 -7.473022      12.43824 
1 1 1 -1  19 22 f 99.32745 5.267287 486.0409       51.02782 489.9000       72.24942 482.2000       72.07936 99.39314 7.481198 98.59692 7.525498 0.7962265      10.61138 
1 1 1 -1  19 23 o 213.0347 6.474149 2237.236       134.8451 2040.000       180.7156 2485.000       202.5454 202.6917 9.132091 223.7005 9.270246 -21.00880      13.01278 
1 1 1 -1  19 24 o 146.9296 5.372845 1063.010       77.14144 1141.000       113.3846 995.8000       105.2572 151.7652 7.657396 141.7648 7.613306 10.00040       10.79806 
1 1 1 -1  19 25 o 202.3605 6.272576 2020.517       124.0947 2018.000       176.0907 2023.000       174.9081 201.3907 8.955261 201.6672 8.882501 -0.2764435     12.61331 
1 1 1 -1  19 26 o 169.2238 5.665627 1412.391       93.71367 1464.000       136.2077 1366.000       129.1371 171.5977 8.132449 165.7903 7.981109 5.807449       11.39451 
1 1 1 -1  19 27 o 213.7908 6.512073 2261.553       136.1156 2341.000       197.0154 2189.000       188.2749 216.2890 9.327851 209.1912 9.217444 7.097870       13.11374 
1 1 1 -1  19 28 o 200.0983 6.262847 1982.230       122.5142 1955.000       172.4165 2010.000       174.1184 197.5523 8.939586 200.3366 8.901517 -2.784286      12.61559 
1 1 1 -1  19 29 o 139.8337 5.275229 966.6174       72.07421 988.9000       103.4509 945.6000       100.4710 140.7137 7.538414 137.6087 7.487344 3.104904       10.62488 
1 1 1 -1  19 30 f 77.17727 5.654512 296.3752       42.41954 289.2000       61.22333 303.0000       58.82888 75.48264 8.430119 77.45651 7.868456 -1.973869      11.53167 
1 1 1 -1  19 31 f 119.7022 5.176301 710.2088       60.50625 669.1000       85.11806 752.2000       86.02668 115.3484 7.580847 122.4831 7.207332 -7.134666      10.46016 
1 1 1 -1  19 32 o 95.94748 5.267916 457.5615       49.28434 393.0000       67.73334 530.2000       71.84545 88.02671 7.946554 102.6456 7.196363 -14.61890      10.72079 
1 1 1 -1  19 33 o 104.5059 7.536015 552.9000       76.57064 552.9000       76.57064 0.000000       0.000000 104.5059 7.536015 ?        ?        ?              ?        
1 1 1 -1  19 34 o 78.44370 5.642081 308.1629       43.03212 324.7000       63.35580 294.0000       58.63161 79.52957 8.258744 75.73655 8.031234 3.793022       11.51988 
1 1 1 -1  19 35 o 174.9006 8.386860 1566.000       143.1626 0.000000       0.000000 1566.000       143.1626 ?        ?        174.9006 8.386860 ?              ?        
1 1 1 -1  19 36 o 99.82372 5.414125 498.8109       52.70354 451.5000       75.40388 544.0000       73.69367 93.54648 8.321698 103.3179 7.334685 -9.771393      11.09271 
1 1 1 -1  19 37 o 51.34941 7.855447 137.4775       38.22997 147.8000       55.41065 128.1000       52.81348 51.78201 11.25426 48.07706 11.39740 3.704952       16.01746 
1 1 1 -1  19 38 o 92.14429 5.564344 427.1198       49.95283 376.3000       69.63363 481.0000       71.69959 84.95386 8.487428 96.67507 7.639017 -11.72121      11.41889 
1 1 1 -1  19 39 o 102.6018 5.462566 529.6531       54.66255 574.3000       79.33424 489.3000       75.42301 105.4317 7.741436 97.10114 8.006564 8.330597       11.13710 
1 1 1 -1  19 40 o 41.38681 9.673862 94.48003       38.48237 93.15000       56.12575 95.66000       52.86509 40.21347 12.72649 40.77117 12.25732 -0.5576973     17.66933 
1 1 1 -1  19 41 o 94.00593 5.621861 448.6786       51.49358 468.4000       73.14433 429.3000       72.50571 94.35848 7.994596 90.05441 8.319484 4.304077       11.53808 
1 1 1 -1  19 42 o 56.09299 7.619955 167.1445       40.75683 168.6000       58.81593 165.8000       56.52976 53.79784 11.51677 53.61430 11.13626 0.1835480      16.02037 
1 1 1 -1  19 43 o 40.87705 9.187102 93.61376       35.86164 93.68000       51.20712 93.55000       50.23880 39.47834 12.10416 39.50651 11.96471 -0.2817535E-01 17.01955 
1 1 1 -1  19 44 o 53.39700 7.399790 152.3816       37.63788 138.1000       53.77148 166.1000       52.70068 48.00708 11.57818 53.73632 10.39534 -5.729240      15.56012 
1 1 1 -1  19 45 o 51.28932 11.07521 155.8000       53.97178 155.8000       53.97178 0.000000       0.000000 51.28932 11.07521 ?        ?        ?              ?        
1 1 1 -1  19 46 o 40.05188 9.207494 91.49084       35.34088 109.1000       52.39318 76.79000       47.87143 41.86723 12.10350 35.61077 11.79329 6.256466       16.89900 
1 1 1 -1  19 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  19 48 o 45.97874 8.315042 117.9933       36.04493 90.76000       52.54443 142.2000       49.53872 37.72774 12.34885 48.73534 10.68029 -11.00760      16.32674 
1 1 1 -1  19 49 o 63.67250 6.467268 215.3710       39.74823 225.3000       58.96248 207.1000       53.81455 61.92002 10.07434 59.87249 9.499446 2.047531       13.84672 
1 1 1 -1  19 50 o 42.08908 8.683472 101.7868       34.58656 141.3000       53.55744 73.52000       45.29884 47.09052 11.67710 34.13681 11.47571 12.95371       16.37213 
1 1 1 -1  19 51 o 25.74834 9.434341 35.46556       31.07870 71.82000       46.21885 5.461000       41.98886 33.70578 11.58773 22.44209 9.873178 11.26370       15.22351 
1 1 1 -1  19 52 o 68.82722 5.811352 249.1933       38.78559 263.2000       54.48156 234.8000       55.22829 68.38165 8.309996 63.75631 9.108347 4.625343       12.32956 
1 1 1 -1  19 53 f 20.62819 8.639687 12.01547       29.30600 8.033000       39.86190 16.70000       43.23293 22.23946 9.706082 24.01080 10.29184 -1.771338      14.14673 
1 1 1 -1  19 54 o 20.33200 8.491603 11.85938       28.19010 -7.389000      38.72837 33.55000       41.11195 20.07145 9.104641 26.23772 10.52005 -6.166265      13.91280 
1 1 1 -1  19 55 o 45.07523 10.39769 125.9000       44.94083 125.9000       44.94083 0.000000       0.000000 45.07523 10.39769 ?        ?        ?              ?        
1 1 1 -1  19 56 o 39.07855 11.56453 101.6000       47.34681 0.000000       0.000000 101.6000       47.34681 ?        ?        39.07855 11.56453 ?              ?        
1 1 1 -1  19 57 o 59.92600 6.142787 193.1021       35.52246 223.5000       49.09379 159.7000       51.46256 62.40210 8.238575 50.01056 10.82727 12.39154       13.60529 
1 1 1 -1  19 58 o 22.21561 8.936269 22.25598       29.76677 29.32000       40.81570 14.23000       43.50611 24.86882 10.28759 23.11053 10.11196 1.758297       14.42520 
1 1 1 -1  20 1  o 194.2372 4.776628 1849.586       90.81553 1959.000       163.5118 1800.778       109.2085 199.3747 8.397428 191.4899 5.833260 7.884857       10.22466 
1 1 1 -1  20 2  o 148.5126 4.972368 1082.642       72.18052 0.000000       0.000000 1082.642       72.18052 ?        ?        148.5126 4.972368 ?              ?        
1 1 1 -1  20 3  o 246.7453 5.716915 2987.026       138.0755 2822.274       163.1991 3402.000       259.0079 239.6018 6.965987 262.4569 10.10090 -22.85512      12.27001 
1 1 1 -1  20 4  o 221.9855 5.265158 2416.801       114.4043 2424.283       140.3754 2402.000       197.4264 222.1174 6.463451 220.6481 9.161035 1.469254       11.21163 
1 1 1 -1  20 5  o 349.6880 9.541770 6031.138       326.2946 6241.000       472.6163 5840.000       451.0399 354.3037 13.65338 342.7878 13.46882 11.51590       19.17874 
1 1 1 -1  20 6  o 160.9074 4.234496 1269.814       66.63561 1214.000       114.5111 1298.390       81.93739 156.9765 7.474049 162.6278 5.153827 -5.651276      9.078730 
1 1 1 -1  20 7  o 296.6253 5.780116 4317.811       167.8228 4533.000       347.7183 4252.461       191.6182 302.4279 11.76872 294.2434 6.653096 8.184540       13.51911 
1 1 1 -1  20 8  o 219.6229 5.206263 2365.995       111.9206 2364.000       195.1561 2366.972       136.6200 218.8314 9.131068 219.4541 6.366835 -0.6226959     11.13162 
1 1 1 -1  20 9  o 225.9867 5.329731 2505.607       117.8948 2523.000       206.5061 2497.198       143.5958 226.0024 9.355211 225.3769 6.516017 0.6255188      11.40081 
1 1 1 -1  20 10 o 251.8844 7.185939 3122.000       176.9892 3122.000       250.4858 3122.000       250.1157 251.1952 10.20872 251.1993 10.19341 -0.4074097E-02 14.42649 
1 1 1 -1  20 11 o 226.8303 4.610079 2523.065       102.3565 2572.000       209.7845 2507.776       117.2614 228.1238 9.415229 226.0710 5.299122 2.052872       10.80404 
1 1 1 -1  20 12 o 81.76922 2.993973 327.9517       23.92269 422.3000       59.61195 309.8404       26.11808 92.46125 6.630716 79.45235 3.365994 13.00890       7.436149 
1 1 1 -1  20 13 o 94.89172 3.777555 442.0080       35.01681 0.000000       0.000000 442.0080       35.01681 ?        ?        94.89172 3.777555 ?              ?        
1 1 1 -1  20 14 o 227.5459 4.614718 2539.561       102.7828 2650.000       214.4679 2506.634       117.1073 231.4427 9.487117 225.9884 5.294092 5.454300       10.86429 
1 1 1 -1  20 15 o 194.5470 8.500457 1870.000       161.4818 1870.000       161.4818 0.000000       0.000000 194.5470 8.500457 ?        ?        ?              ?        
1 1 1 -1  20 16 o 169.6471 5.596820 1414.892       92.81092 1397.000       129.1482 1434.000       133.4673 168.2017 7.866042 170.3888 8.025084 -2.187073      11.23729 
1 1 1 -1  20 17 o 182.3618 5.794572 1635.433       103.3023 1645.000       146.6062 1626.000       145.5822 182.4516 8.230344 181.3948 8.220671 1.056778       11.63263 
1 1 1 -1  20 18 o 182.0782 8.239715 1639.000       146.4702 0.000000       0.000000 1639.000       146.4702 ?        ?        182.0782 8.239715 ?              ?        
1 1 1 -1  20 19 o 209.0468 9.038509 2165.000       184.5097 0.000000       0.000000 2165.000       184.5097 ?        ?        209.0468 9.038509 ?              ?        
1 1 1 -1  20 20 o 233.7303 6.897245 2693.291       157.6237 2509.000       213.7413 2913.000       233.3781 224.7678 9.738229 242.1733 9.865927 -17.40552      13.86253 
1 1 1 -1  20 21 o 285.4025 8.083294 4027.197       225.5874 3964.000       315.8542 4093.000       322.3009 281.7110 11.47855 286.2409 11.52691 -4.529907      16.26735 
1 1 1 -1  20 22 o 124.4209 5.161722 762.1538       62.72635 779.2000       89.36573 745.6000       88.06548 125.4374 7.310107 122.6826 7.367536 2.754845       10.37874 
1 1 1 -1  20 23 o 251.0172 7.299837 3114.917       179.1684 3148.000       255.6860 3083.000       251.1399 251.0497 10.42768 248.4780 10.34840 2.571686       14.69101 
1 1 1 -1  20 24 o 166.3357 5.618005 1363.857       91.33771 1383.000       131.4751 1346.000       126.9840 166.8681 8.073363 164.6666 7.901444 2.201523       11.29655 
1 1 1 -1  20 25 o 166.0144 5.630089 1359.711       91.35629 1453.000       135.0469 1281.000       124.0474 170.9033 8.095884 160.5030 7.920307 10.40034       11.32584 
1 1 1 -1  20 26 o 65.20174 6.268723 211.9603       39.51535 210.9000       57.64863 212.9000       54.27052 64.30422 9.439757 64.78514 8.784301 -0.4809189     12.89469 
1 1 1 -1  20 27 o 272.5856 7.861071 3702.560       209.5255 3982.000       310.5249 3469.000       283.8908 280.0075 11.35330 261.5190 11.11561 18.48853       15.88881 
1 1 1 -1  20 28 o 138.6777 5.275432 950.9712       71.47894 940.6000       101.1903 961.3000       100.9830 137.1786 7.565387 138.7222 7.464460 -1.543594      10.62795 
1 1 1 -1  20 29 o 86.10236 5.456552 368.2191       45.75091 379.0000       65.26073 357.8000       64.15652 86.71918 7.770584 84.20744 7.875006 2.511742       11.06335 
1 1 1 -1  20 30 o 96.03880 5.279374 457.9728       49.43807 491.3000       71.78262 427.9000       68.18778 98.78558 7.479256 92.10173 7.632137 6.683846       10.68592 
1 1 1 -1  20 31 o 116.3273 5.207688 671.8697       59.14671 714.2000       85.77745 633.5000       81.66607 119.0928 7.394848 112.0985 7.485688 6.994339       10.52232 
1 1 1 -1  20 32 f 129.2986 7.469427 844.8000       94.13148 844.8000       94.13148 0.000000       0.000000 129.2986 7.469427 ?        ?        ?              ?        
1 1 1 -1  20 33 o 93.19876 5.301607 433.3613       48.16470 376.8000       67.39680 492.4000       68.85702 85.77728 8.123958 98.60064 7.183763 -12.82336      10.84459 
1 1 1 -1  20 34 o 104.8364 7.315390 558.4000       74.59712 0.000000       0.000000 558.4000       74.59712 ?        ?        104.8364 7.315390 ?              ?        
1 1 1 -1  20 35 o 97.85524 5.286996 478.9350       50.45259 464.6000       71.95286 492.8000       70.76350 95.19212 7.790276 98.26316 7.411839 -3.071037      10.75285 
1 1 1 -1  20 36 o 18.12411 8.284797 -18.81214      32.85634 -4.011000      47.77050 -32.10000      45.26263 24.10071 10.56921 20.46460 9.486916 3.636112       14.20246 
1 1 1 -1  20 37 o 69.09821 6.219502 242.5330       41.61607 254.7000       60.20506 231.4000       57.59001 69.45618 9.072191 66.12346 9.142187 3.332718       12.87961 
1 1 1 -1  20 38 o 120.5167 5.305704 729.1703       62.43537 710.0000       88.45982 748.2000       88.13496 117.2675 7.750041 120.5862 7.504157 -3.318741      10.78775 
1 1 1 -1  20 39 o 58.35532 7.265000 177.2221       40.60142 132.5000       56.69619 224.3000       58.17034 47.95336 12.08521 64.48970 9.499451 -16.53634      15.37179 
1 1 1 -1  20 40 o 76.15488 6.115767 296.7712       45.20549 267.2000       62.64502 328.9000       65.29790 70.26358 9.339660 78.56502 8.633176 -8.301437      12.71853 
1 1 1 -1  20 41 o 45.87982 9.051458 116.0340       39.20426 117.6000       56.70398 114.6000       54.26294 44.19070 12.53361 43.80859 12.20318 0.3821144      17.49311 
1 1 1 -1  20 42 o 45.86840 8.745016 116.0039       37.83003 95.56000       54.00517 135.7000       53.00825 39.69227 12.47349 47.91171 11.45789 -8.219440      16.93727 
1 1 1 -1  20 43 o 51.48335 7.591665 142.3168       37.11018 173.8000       53.97923 114.1000       51.10229 55.01977 10.40414 43.46000 11.73861 11.55978       15.68569 
1 1 1 -1  20 44 o 27.32913 11.17795 29.07000       47.47955 29.07000       47.47955 0.000000       0.000000 27.32913 11.17795 ?        ?        ?              ?        
1 1 1 -1  20 45 o 42.74247 8.725265 102.3956       35.26783 86.36000       50.90263 117.2000       48.90953 37.43569 12.14769 44.03830 11.29334 -6.602608      16.58632 
1 1 1 -1  20 46 o 33.03239 11.66268 64.70000       46.98723 0.000000       0.000000 64.70000       46.98723 ?        ?        33.03239 11.66268 ?              ?        
1 1 1 -1  20 47 o 79.12772 5.729558 325.0937       44.07623 367.4000       64.81550 288.7000       60.11586 81.76772 8.209182 71.93554 8.715184 9.832176       11.97268 
1 1 1 -1  20 48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  20 49 o 36.09899 9.373144 77.16276       33.40867 128.8000       50.40357 36.70000       44.61773 45.16835 11.40120 27.37482 10.96507 17.79353       15.81835 
1 1 1 -1  20 50 o 24.79661 9.448988 30.89151       31.80027 48.69000       47.43275 16.36000       42.85901 29.44952 11.45617 24.00070 10.26647 5.448818       15.38325 
1 1 1 -1  20 51 o 50.88798 7.012013 141.1365       33.99976 100.5000       47.40063 184.2000       48.79556 39.39203 11.54839 56.36120 9.159085 -16.96917      14.73954 
1 1 1 -1  20 52 o 19.85427 8.518729 7.001406       29.67454 -1.689000      41.05345 16.51000       42.94254 21.26256 9.533051 23.92884 10.25698 -2.666281      14.00302 
1 1 1 -1  20 53 o 23.52341 9.013405 27.06926       29.04021 41.49000       40.39871 11.65000       41.77394 27.54326 10.61107 23.04198 9.997540 4.501280       14.57894 
1 1 1 -1  20 54 o 21.02163 9.336814 1.761000       38.42239 1.761000       38.42239 0.000000       0.000000 21.02163 9.336814 ?        ?        ?              ?        
1 1 1 -1  20 55 o 54.36765 9.873559 178.0000       50.60899 0.000000       0.000000 178.0000       50.60899 ?        ?        54.36765 9.873559 ?              ?        
1 1 1 -1  20 56 o 29.97537 9.288555 54.56899       30.05886 57.21000       40.44426 51.31000       44.92765 30.17547 10.80300 29.11545 11.19700 1.060015       15.55885 
1 1 1 -1  20 57 o 16.35107 7.548090 -12.84089      28.21021 25.18000       38.00576 -59.49000      42.09786 23.90926 9.912225 16.19391 7.926073 7.715355       12.69153 
1 1 1 -1  21 1  o 193.2517 4.124540 1830.441       78.01984 1901.637       113.1716 1765.957       107.7047 196.7389 5.883412 189.5931 5.810574 7.145813       8.269057 
1 1 1 -1  21 2  o 237.8387 5.558701 2775.865       129.4083 2997.000       236.3718 2681.214       154.6428 246.2448 9.826423 233.5012 6.773197 12.74358       11.93460 
1 1 1 -1  21 3  o 91.51719 3.819657 411.1375       34.14110 318.7000       60.28705 454.7787       41.42367 80.11320 7.786097 96.21449 4.410202 -16.10128      8.948362 
1 1 1 -1  21 4  o 219.7694 5.212273 2369.481       112.1245 2097.000       179.9311 2542.463       143.3633 206.0784 8.941335 227.4155 6.446891 -21.33711      11.02315 
1 1 1 -1  21 5  o 191.9007 8.365074 1817.000       156.7502 1817.000       156.7502 0.000000       0.000000 191.9007 8.365074 ?        ?        ?              ?        
1 1 1 -1  21 6  o 165.5861 4.350829 1345.152       70.45724 1393.000       125.4223 1323.090       85.16528 168.0904 7.642988 164.1247 5.308282 3.965729       9.305543 
1 1 1 -1  21 7  o 296.4189 5.790500 4313.575       168.0073 4263.000       334.3201 4330.663       194.3276 293.0619 11.67797 296.8518 6.687883 -3.789917      13.45744 
1 1 1 -1  21 8  o 201.9608 4.916208 2000.829       97.18597 2090.000       174.2363 1960.557       117.0933 205.7348 8.671607 199.7170 5.996573 6.017822       10.54304 
1 1 1 -1  21 9  o 216.0743 5.172037 2290.956       109.3883 2424.000       197.6122 2232.178       131.3476 221.4650 9.135573 213.0574 6.305179 8.407669       11.10018 
1 1 1 -1  21 10 o 187.2930 5.817723 1724.253       106.5256 1780.000       153.9168 1673.000       147.5826 189.8784 8.301471 184.0896 8.210962 5.788879       11.67623 
1 1 1 -1  21 11 o 157.1805 3.603914 1210.743       55.44717 1303.000       119.0728 1185.200       62.65466 162.5286 7.504995 155.4275 4.121951 7.101151       8.562443 
1 1 1 -1  21 12 o 246.4611 4.945342 2980.517       119.3029 2835.000       233.5646 3031.886       138.7720 239.2198 9.996822 248.4701 5.705863 -9.250320      11.51057 
1 1 1 -1  21 13 o 309.8660 6.017506 4717.646       182.5142 4968.000       380.1121 4642.631       208.0689 315.7893 12.32089 307.1991 6.919601 8.590179       14.13101 
1 1 1 -1  21 14 o 229.1810 5.335787 2578.760       119.6970 2947.000       230.8666 2443.384       139.9806 243.9267 9.688583 222.8345 6.424405 21.09221       11.62504 
1 1 1 -1  21 15 o 63.69302 3.276207 199.3161       20.35671 0.000000       0.000000 199.3161       20.35671 ?        ?        63.69302 3.276207 ?              ?        
1 1 1 -1  21 16 o 150.5025 5.282927 1113.685       77.70530 1065.000       107.9689 1166.000       111.9214 146.8199 7.538138 153.6550 7.463820 -6.835144      10.60812 
1 1 1 -1  21 17 o 220.7051 9.361298 2415.000       201.7749 0.000000       0.000000 2415.000       201.7749 ?        ?        220.7051 9.361298 ?              ?        
1 1 1 -1  21 18 o 121.6675 5.091762 728.3026       60.50452 765.8000       88.36073 695.2000       83.02127 124.4300 7.286732 118.5528 7.188144 5.877220       10.23552 
1 1 1 -1  21 19 o 141.0294 5.221466 978.5220       71.95446 1027.000       104.6792 935.1000       99.07024 144.1021 7.446625 137.4975 7.388220 6.604584       10.48990 
1 1 1 -1  21 20 o 131.0978 5.165737 845.9382       66.15807 891.8000       96.20988 804.8000       91.12071 134.2265 7.350829 127.4948 7.332534 6.731644       10.38271 
1 1 1 -1  21 21 o 141.4569 5.270068 985.2603       72.84280 1175.000       111.6631 844.7000       96.10848 154.0558 7.426884 130.5351 7.554183 23.52072       10.59360 
1 1 1 -1  21 22 o 129.5007 5.184823 826.1478       65.58935 817.2000       93.82413 834.7000       91.72615 128.3406 7.501389 129.7694 7.250112 -1.428818      10.43240 
1 1 1 -1  21 23 o 232.2917 6.903852 2668.960       156.8011 2797.000       229.0315 2556.000       215.1220 236.4909 9.916064 226.1404 9.741377 10.35051       13.90046 
1 1 1 -1  21 24 o 93.85323 5.231125 435.1577       47.86618 464.8000       70.64533 410.0000       65.08234 96.53571 7.536018 90.66327 7.398000 5.872444       10.56040 
1 1 1 -1  21 25 o 68.64231 5.893070 234.3413       39.21212 236.3000       57.15928 232.6000       53.89334 68.28702 8.752481 67.86200 8.284956 0.4250183      12.05182 
1 1 1 -1  21 26 o 193.7921 6.118795 1860.199       115.9214 2016.000       171.4508 1729.000       157.3329 200.5136 8.756648 185.7055 8.679436 14.80806       12.32929 
1 1 1 -1  21 27 o 52.51551 7.303721 139.8766       36.52914 134.9000       51.04590 145.1000       52.29684 50.66974 10.63181 52.62388 10.52080 -1.954140      14.95736 
1 1 1 -1  21 28 o 87.78242 5.319187 382.5387       45.49002 387.5000       63.47523 377.3000       65.22567 87.76050 7.459856 86.48429 7.788393 1.276207       10.78464 
1 1 1 -1  21 29 o 71.64943 5.828404 256.5056       40.52328 208.1000       56.05425 309.5000       58.65104 63.44805 9.301920 78.16421 7.768588 -14.71616      12.11927 
1 1 1 -1  21 30 o 165.4159 8.105475 1384.000       130.8391 1384.000       130.8391 0.000000       0.000000 165.4159 8.105475 ?        ?        ?              ?        
1 1 1 -1  21 31 o 86.18413 7.776042 378.1000       64.89339 378.1000       64.89339 0.000000       0.000000 86.18413 7.776042 ?        ?        ?              ?        
1 1 1 -1  21 32 o 82.45386 5.433300 339.8972       43.60675 381.6000       63.97123 303.7000       59.59916 86.52991 7.630987 76.95892 8.029788 9.570984       11.07743 
1 1 1 -1  21 33 o 96.97858 7.428313 478.9000       69.97676 0.000000       0.000000 478.9000       69.97676 ?        ?        96.97858 7.428313 ?              ?        
1 1 1 -1  21 34 o 79.37669 5.571311 316.4292       43.01200 274.1000       59.89598 361.5000       61.80527 72.57597 8.598212 83.97855 7.601065 -11.40258      11.47630 
1 1 1 -1  21 35 o 58.40112 6.687439 174.4362       37.53987 186.3000       53.58327 163.0000       52.60893 59.11921 9.587783 54.95615 10.15390 4.163063       13.96522 
1 1 1 -1  21 36 o 84.50771 5.451199 359.1015       44.85096 384.8000       64.61005 335.2000       62.31012 86.36021 7.724775 80.39906 8.024829 5.961151       11.13867 
1 1 1 -1  21 37 o 35.57862 9.776460 69.24293       35.09188 50.81000       49.71944 87.54000       49.53590 32.35358 11.91965 39.47074 11.86480 -7.117161      16.81819 
1 1 1 -1  21 38 o 80.75613 5.767851 330.6935       45.29258 341.2000       65.20872 320.9000       62.95734 80.51183 8.397776 78.07881 8.368104 2.433022       11.85529 
1 1 1 -1  21 39 o 60.91387 6.859726 192.6368       40.19026 159.9000       56.12126 227.1000       57.58210 53.03228 11.16500 64.70506 9.363550 -11.67278      14.57166 
1 1 1 -1  21 40 o 38.00190 9.953847 81.76326       37.45947 46.20000       51.78384 120.8000       54.25382 31.06444 12.00138 45.09698 12.05782 -14.03253      17.01247 
1 1 1 -1  21 41 o 95.85830 5.572404 469.3911       52.05976 485.3000       74.74206 454.4000       72.55395 95.31944 8.087091 92.18435 8.123801 3.135094       11.46286 
1 1 1 -1  21 42 o 44.87338 8.564173 111.1763       36.24479 71.16000       51.85538 149.4000       50.68056 34.88604 12.25744 50.83373 10.53206 -15.94769      16.16073 
1 1 1 -1  21 43 o 22.69752 10.19654 -6.819000      47.22341 -6.819000      47.22341 0.000000       0.000000 22.69752 10.19654 ?        ?        ?              ?        
1 1 1 -1  21 44 o 37.85188 9.377588 82.23357       34.56411 69.21000       49.59842 94.53000       48.19389 34.15313 11.98869 39.28336 11.67820 -5.130230      16.73646 
1 1 1 -1  21 45 o 56.56923 9.744374 183.6000       52.00910 0.000000       0.000000 183.6000       52.00910 ?        ?        56.56923 9.744374 ?              ?        
1 1 1 -1  21 46 o 86.83180 5.400614 388.7126       45.67441 425.8000       67.33198 357.1000       62.16386 88.46932 7.857028 80.87872 7.955154 7.590607       11.18112 
1 1 1 -1  21 47 o 60.67879 6.571688 195.8924       38.40967 241.9000       56.67075 156.8000       52.23850 65.23599 9.124137 50.90575 10.81766 14.33025       14.15174 
1 1 1 -1  21 48 o 23.66923 9.375349 24.70534       32.26207 66.08000       47.93555 -9.555000      43.62007 32.62897 11.75123 21.08308 9.602212 11.54589       15.17544 
1 1 1 -1  21 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  21 50 o 28.25271 9.571378 46.25286       31.51222 19.23000       44.76421 72.80000       44.36843 24.68753 10.52428 33.90131 11.35683 -9.213783      15.48348 
1 1 1 -1  21 51 o 43.49778 7.946721 106.7500       32.58824 101.2000       46.08673 112.3000       46.08673 39.64620 11.31764 42.08315 11.04939 -2.436947      15.81702 
1 1 1 -1  21 52 o 23.22537 9.055049 25.26362       29.68571 9.164000       39.84878 45.34000       44.49898 22.34776 9.729668 28.49865 11.09342 -6.150898      14.75569 
1 1 1 -1  21 53 o 22.69040 9.794782 12.19000       39.68774 12.19000       39.68774 0.000000       0.000000 22.69040 9.794782 ?        ?        ?              ?        
1 1 1 -1  21 54 o 25.11029 10.49598 26.00000       43.12228 0.000000       0.000000 26.00000       43.12228 ?        ?        25.11029 10.49598 ?              ?        
1 1 1 -1  21 55 o 20.91896 8.675495 14.97167       29.12757 -25.46000      38.77913 67.31000       44.12118 18.04966 8.500704 32.14086 11.30536 -14.09120      14.14472 
1 1 1 -1  21 56 o 23.11794 8.969521 26.85388       29.01716 -0.1001000     39.11276 59.85000       43.27514 20.64734 9.277267 30.41610 11.13460 -9.768753      14.49300 
1 1 1 -1  21 57 o 33.95887 9.118208 71.09836       30.94451 68.83000       42.00639 73.79000       45.75821 32.04740 11.04590 32.76521 11.51414 -0.7178154     15.95579 
1 1 1 -1  22 1  o 220.8666 4.556381 2392.318       98.50458 2421.140       140.6324 2364.558       138.0174 221.8692 6.482586 219.2666 6.437623 2.602539       9.136023 
1 1 1 -1  22 2  o 185.6505 4.683939 1691.526       85.04849 1415.000       135.6606 1870.585       109.1649 169.2803 8.211803 195.1047 5.722405 -25.82445      10.00898 
1 1 1 -1  22 3  o 100.9244 3.820164 499.9349       37.67037 464.0000       67.25697 516.3610       45.47214 96.86608 7.143740 102.5116 4.543036 -5.645546      8.465942 
1 1 1 -1  22 4  o 293.9460 6.665502 4247.438       191.7815 3920.000       315.8644 4438.630       241.3631 280.9397 11.51071 300.0334 8.226307 -19.09372      14.14809 
1 1 1 -1  22 5  o 135.8295 4.858500 906.2476       64.49151 0.000000       0.000000 906.2476       64.49151 ?        ?        135.8295 4.858500 ?              ?        
1 1 1 -1  22 6  o 166.6736 5.367723 1365.000       87.45738 1500.000       131.1860 1257.000       117.3364 174.3730 7.705056 159.6252 7.530981 14.74786       10.77421 
1 1 1 -1  22 7  o 166.1753 4.384790 1355.111       71.25938 1365.000       124.5943 1350.304       86.86973 166.3237 7.673790 165.7703 5.360768 0.5533752      9.360817 
1 1 1 -1  22 8  f 147.2318 4.128858 1063.651       59.44409 1120.000       107.0518 1038.531       71.47633 150.6827 7.279660 145.3902 5.030086 5.292480       8.848458 
1 1 1 -1  22 9  o 213.5773 5.147894 2238.852       107.6195 2471.000       199.4745 2143.535       127.8178 223.5124 9.136841 208.7462 6.262647 14.76625       11.07712 
1 1 1 -1  22 10 o 180.1107 3.935956 1590.359       69.38987 1671.000       145.5864 1566.655       78.93217 183.9396 8.106013 178.6586 4.517231 5.280975       9.279700 
1 1 1 -1  22 11 f 138.0643 3.387843 934.1121       45.78370 1099.000       103.3740 893.8761       51.06515 149.2637 7.095718 134.9765 3.869089 14.28725       8.082022 
1 1 1 -1  22 12 o 39.64467 5.227907 78.48685       19.79310 0.000000       0.000000 78.48685       19.79310 ?        ?        39.64467 5.227907 ?              ?        
1 1 1 -1  22 13 o 100.2049 3.966728 493.1168       38.83010 0.000000       0.000000 493.1168       38.83010 ?        ?        100.2049 3.966728 ?              ?        
1 1 1 -1  22 14 o 295.9617 5.782374 4304.937       167.5128 5087.000       378.7831 4114.798       186.7692 319.2378 12.14403 289.1693 6.598525 30.06848       13.82092 
1 1 1 -1  22 15 o 254.5680 5.079305 3182.459       126.5652 3515.000       275.1639 3093.226       142.5383 265.8259 10.59642 250.8432 5.805279 14.98277       12.08244 
1 1 1 -1  22 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  22 17 o 253.7662 7.325460 3178.716       181.7692 3401.000       268.6343 2991.000       246.8642 261.3269 10.52350 245.1288 10.31166 16.19814       14.73345 
1 1 1 -1  22 18 o 162.0923 5.494204 1293.428       87.04528 1459.000       131.4143 1164.000       116.1883 171.6597 7.841814 153.3046 7.768177 18.35516       11.03805 
1 1 1 -1  22 19 o 60.76515 6.588940 184.1142       38.56367 202.3000       55.98954 167.7000       53.19244 63.18334 9.333722 57.30227 9.837799 5.881069       13.56100 
1 1 1 -1  22 20 o 224.8086 6.725137 2496.021       147.8195 2546.000       212.3106 2449.000       205.9320 225.9879 9.619998 221.6786 9.512742 4.309250       13.52910 
1 1 1 -1  22 21 f 160.1764 5.560955 1264.933       87.05524 1237.000       122.9672 1293.000       123.2627 157.7820 7.988055 161.3704 7.827062 -3.588409      11.18356 
1 1 1 -1  22 22 o 186.8611 5.986440 1724.281       109.3536 1834.000       160.8558 1630.000       149.1099 191.8247 8.588724 180.8749 8.445446 10.94978       12.04540 
1 1 1 -1  22 23 o 112.4391 5.061288 623.9380       55.56096 630.9000       79.83889 617.4000       77.36940 112.5682 7.285027 111.3915 7.133447 1.176674       10.19596 
1 1 1 -1  22 24 o 73.09716 5.692987 265.4153       40.41206 280.5000       58.01852 251.2000       56.32182 74.62071 8.071633 70.50644 8.321082 4.114273       11.59274 
1 1 1 -1  22 25 o 105.5000 5.083128 550.4171       52.33715 536.0000       73.07659 565.6000       74.99241 103.5523 7.255535 106.3893 7.244560 -2.837021      10.25312 
1 1 1 -1  22 26 o 81.95604 5.389554 333.5257       42.99551 342.3000       60.38002 324.5000       61.23874 82.46737 7.564235 80.17469 7.906156 2.292679       10.94189 
1 1 1 -1  22 27 f 88.10028 5.252810 385.3631       45.09194 339.3000       61.74652 438.0000       66.00559 81.93407 7.792850 93.35381 7.280958 -11.41974      10.66494 
1 1 1 -1  22 28 o 105.8327 5.102239 555.7455       52.69940 543.9000       73.75659 568.1000       75.32455 103.9612 7.294378 106.2624 7.285963 -2.301155      10.30986 
1 1 1 -1  22 29 o 152.8515 7.726088 1180.000       115.2192 1180.000       115.2192 0.000000       0.000000 152.8515 7.726088 ?        ?        ?              ?        
1 1 1 -1  22 30 o 91.22495 5.358770 415.1771       47.63959 425.7000       66.97415 404.4000       67.77814 91.53973 7.541492 89.06830 7.854681 2.471428       10.88899 
1 1 1 -1  22 31 o 60.98914 6.364721 188.3328       37.43746 164.9000       52.98176 211.7000       52.90744 55.64886 10.09846 63.83282 8.693416 -8.183968      13.32496 
1 1 1 -1  22 32 o 92.12747 7.508528 433.1000       67.12293 0.000000       0.000000 433.1000       67.12293 ?        ?        92.12747 7.508528 ?              ?        
1 1 1 -1  22 33 o 59.09939 6.492462 177.9011       36.93993 138.6000       51.66648 219.0000       52.83501 50.38084 10.80138 64.78593 8.539457 -14.40509      13.76925 
1 1 1 -1  22 34 o 99.05381 5.230952 491.3002       50.53775 481.2000       71.12417 501.6000       71.82330 96.84935 7.562562 98.94538 7.471094 -2.096031      10.63060 
1 1 1 -1  22 35 o 53.31619 7.195466 147.1261       36.59355 121.5000       50.87354 174.6000       52.67568 46.67310 11.26528 56.94724 9.803615 -10.27413      14.93377 
1 1 1 -1  22 36 o 58.15250 6.664019 173.8003       37.24801 138.5000       51.76554 211.7000       53.63762 49.90741 10.90241 63.14238 8.927169 -13.23496      14.09102 
1 1 1 -1  22 37 o 79.55124 5.598649 320.3596       43.31656 322.0000       60.21339 318.6000       62.36078 78.46416 7.949564 77.81449 8.316152 0.6496658      11.50452 
1 1 1 -1  22 38 o 56.80493 7.086525 168.4462       38.54805 187.9000       54.59086 149.1000       54.43981 58.42854 9.898285 51.13887 11.18762 7.289669       14.93783 
1 1 1 -1  22 39 o 71.64417 6.256405 264.5494       43.43476 223.4000       59.29385 312.2000       63.80611 63.51357 9.856882 76.15391 8.716680 -12.64034      13.15822 
1 1 1 -1  22 40 o 46.26337 8.728237 117.9557       38.07600 100.8000       53.47353 135.6000       54.22964 40.74086 12.34501 47.70372 11.70356 -6.962860      17.01095 
1 1 1 -1  22 41 o 32.08598 9.849425 58.45092       33.89376 75.24000       48.12713 41.93000       47.74122 35.65200 11.82537 29.52077 11.49069 6.131226       16.48864 
1 1 1 -1  22 42 o 52.67070 10.54857 161.3000       52.48597 161.3000       52.48597 0.000000       0.000000 52.67070 10.54857 ?        ?        ?              ?        
1 1 1 -1  22 43 o 36.70972 9.323471 77.32767       33.55986 106.8000       48.85747 51.00000       46.17746 41.80816 11.55433 30.66109 11.45127 11.14708       16.26757 
1 1 1 -1  22 44 o 26.59718 10.84566 28.64000       44.53300 0.000000       0.000000 28.64000       44.53300 ?        ?        26.59718 10.84566 ?              ?        
1 1 1 -1  22 45 o 42.16342 8.593225 100.4220       34.26017 51.96000       48.91196 147.1000       48.00320 30.65985 11.71004 50.04097 10.14789 -19.38112      15.49531 
1 1 1 -1  22 46 o 30.68135 9.772720 54.95676       33.05056 15.89000       47.49039 91.65000       46.02514 25.01065 10.75459 38.27308 11.42084 -13.26242      15.68747 
1 1 1 -1  22 47 f 23.02160 9.246486 21.64736       31.81802 -25.65000      46.46442 63.41000       43.66124 20.18664 9.442591 32.16325 11.25138 -11.97661      14.68864 
1 1 1 -1  22 48 o 46.49083 7.833018 120.8419       34.37963 151.2000       49.37417 92.27000       47.89962 49.83503 10.45593 37.64051 11.73534 12.19452       15.71765 
1 1 1 -1  22 49 o 42.52605 8.412561 103.3978       33.77719 89.00000       48.01788 117.5000       47.52230 36.93641 11.78113 43.07711 11.17604 -6.140697      16.23881 
1 1 1 -1  22 50 o 30.72924 11.60383 57.35000       47.69678 57.35000       47.69678 0.000000       0.000000 30.72924 11.60383 ?        ?        ?              ?        
1 1 1 -1  22 51 o 21.74069 8.895685 17.49453       30.08511 77.07000       42.43548 -42.71000      42.65893 34.68904 11.07634 17.73505 8.509506 16.95399       13.96772 
1 1 1 -1  22 52 o 58.32976 8.818789 196.4000       48.78037 196.4000       48.78037 0.000000       0.000000 58.32976 8.818789 ?        ?        ?              ?        
1 1 1 -1  22 53 o 24.33706 10.27894 21.86000       42.03353 0.000000       0.000000 21.86000       42.03353 ?        ?        24.33706 10.27894 ?              ?        
1 1 1 -1  22 54 o 29.03382 9.299441 50.69011       29.89465 72.58000       40.37964 24.14000       44.47068 33.54998 10.81386 24.90622 10.54856 8.643753       15.10667 
1 1 1 -1  22 55 o 24.73301 9.143086 33.86691       29.29664 63.65000       39.52601 -2.443000      43.64261 31.39274 10.71823 21.31920 9.668414 10.07354       14.43463 
1 1 1 -1  22 56 o 24.78659 9.099106 35.05359       28.93072 52.69000       38.98663 13.44000       43.15926 28.80437 10.56461 22.85927 10.03482 5.945105       14.57081 
1 1 1 -1  23 1  o 412.1667 7.841253 8369.740       316.3477 8528.848       453.4372 8218.855       441.5653 414.5012 11.18619 406.9395 11.09595 7.561737       15.75598 
1 1 1 -1  23 2  o 143.1177 3.533989 1003.814       49.50679 984.4286       69.62646 1023.636       70.40641 141.5416 5.033569 144.3409 4.990803 -2.799362      7.088366 
1 1 1 -1  23 3  o 155.3496 3.664907 1182.862       55.72876 1094.072       76.22272 1284.835       81.68528 149.2015 5.227288 161.7086 5.167284 -12.50706      7.350195 
1 1 1 -1  23 4  o 246.6943 5.756866 2989.350       139.0117 2988.000       242.0885 2990.014       169.7952 245.5138 10.09531 246.3995 7.047351 -0.8856964     12.31180 
1 1 1 -1  23 5  o 151.2264 4.193067 1122.310       62.00780 1002.000       104.3375 1188.006       77.10078 142.4447 7.509740 155.4966 5.072395 -13.05191      9.062306 
1 1 1 -1  23 6  f 188.7291 4.736824 1748.727       87.43575 1710.000       151.3812 1768.114       107.1084 186.0128 8.335425 189.6283 5.777250 -3.615494      10.14179 
1 1 1 -1  23 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  23 8  o 165.3968 5.364102 1344.711       86.72725 1467.000       130.5087 1248.000       116.0604 172.3607 7.755482 158.9995 7.478264 13.36121       10.77367 
1 1 1 -1  23 9  o 162.8077 3.731018 1299.416       59.45775 1375.000       125.4858 1277.534       67.51794 166.8503 7.704340 161.3324 4.279322 5.517807       8.813026 
1 1 1 -1  23 10 o 180.7430 5.735630 1606.863       101.3441 1553.000       141.2538 1664.000       145.4843 177.2280 8.164508 183.4747 8.121031 -6.246674      11.51566 
1 1 1 -1  23 11 o 126.2768 4.462340 783.3571       55.06928 0.000000       0.000000 783.3571       55.06928 ?        ?        126.2768 4.462340 ?              ?        
1 1 1 -1  23 12 o 179.0857 4.499393 1574.821       78.80920 1528.000       138.9123 1597.043       95.70146 175.7527 8.096566 180.2104 5.431609 -4.457703      9.749705 
1 1 1 -1  23 13 o 142.0281 4.046200 990.2800       56.19337 1026.000       103.1091 975.1883       67.02109 144.0707 7.335795 140.8439 4.868786 3.226807       8.804485 
1 1 1 -1  23 14 o 133.8673 3.739150 879.4804       48.94722 0.000000       0.000000 879.4804       48.94722 ?        ?        133.8673 3.739150 ?              ?        
1 1 1 -1  23 15 o 152.4437 4.731589 1142.251       70.51743 0.000000       0.000000 1142.251       70.51743 ?        ?        152.4437 4.731589 ?              ?        
1 1 1 -1  23 16 o 170.9627 5.629582 1439.323       94.07866 1418.000       132.5015 1461.000       133.5999 169.1541 8.025504 171.7198 7.970140 -2.565643      11.31070 
1 1 1 -1  23 17 o 105.6335 5.058724 549.7452       52.15366 592.3000       76.06971 512.0000       71.64207 109.3047 7.149193 101.5725 7.253600 7.732124       10.18458 
1 1 1 -1  23 18 o 83.09859 5.412539 341.1994       43.78559 333.7000       62.12833 348.6000       61.71805 81.74486 7.861493 83.61407 7.624761 -1.869209      10.95171 
1 1 1 -1  23 19 o 150.2525 5.365741 1112.664       78.78793 1145.000       113.9039 1083.000       109.0974 151.8699 7.687326 147.7223 7.570298 4.147583       10.78909 
1 1 1 -1  23 20 o 130.7279 5.198489 842.6940       66.38728 865.4000       95.66261 821.6000       92.20442 131.9700 7.435689 128.5974 7.355782 3.372589       10.45930 
1 1 1 -1  23 21 o 80.13771 5.511967 318.1099       42.97308 340.4000       62.48048 298.1000       59.19848 82.42363 7.838625 77.05605 7.963299 5.367584       11.17400 
1 1 1 -1  23 22 o 107.1949 5.075713 567.5243       53.10583 554.1000       75.03130 581.0000       75.17487 105.4016 7.318035 107.9857 7.152442 -2.584160      10.23284 
1 1 1 -1  23 23 o 123.8360 5.137628 757.8299       62.14004 678.5000       84.42827 851.6000       91.79131 116.5405 7.440100 130.6936 7.203172 -14.15308      10.35571 
1 1 1 -1  23 24 o 121.0169 5.081559 724.3047       60.05950 697.5000       83.45621 753.1000       86.49944 118.1142 7.253538 122.7556 7.230924 -4.641319      10.24207 
1 1 1 -1  23 25 o 67.53716 6.004323 227.9993       39.27959 264.2000       55.62737 192.0000       55.47242 72.18896 8.006979 60.90825 9.623849 11.28071       12.51919 
1 1 1 -1  23 26 o 88.09814 5.213691 385.5209       44.75813 375.9000       62.88277 395.4000       63.72065 86.30727 7.518479 88.56735 7.418311 -2.260086      10.56214 
1 1 1 -1  23 27 o 79.18999 5.406083 312.4626       41.65306 343.8000       58.89449 281.1000       58.91817 82.47514 7.373019 74.21046 8.250361 8.264679       11.06480 
1 1 1 -1  23 28 o 119.8721 7.223710 724.7000       84.36544 724.7000       84.36544 0.000000       0.000000 119.8721 7.223710 ?        ?        ?              ?        
1 1 1 -1  23 29 o 132.6328 5.228575 875.8726       67.74680 800.3000       92.65170 962.7000       99.31153 125.6016 7.571350 137.9112 7.383801 -12.30965      10.57572 
1 1 1 -1  23 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  23 31 o 62.34356 9.097794 204.2000       53.88259 0.000000       0.000000 204.2000       53.88259 ?        ?        62.34356 9.097794 ?              ?        
1 1 1 -1  23 32 o 79.79038 5.406870 319.4723       41.97880 309.1000       59.14753 330.0000       59.58891 77.40247 7.918310 80.11095 7.693662 -2.708488      11.04047 
1 1 1 -1  23 33 o 88.75718 5.219083 394.8049       45.14222 393.3000       63.94552 396.3000       63.73648 87.49049 7.540451 87.85711 7.482616 -0.3666229     10.62299 
1 1 1 -1  23 34 o 21.83818 9.044465 9.732327       31.59835 46.63000       44.45942 -27.93000      44.91773 31.08481 11.30026 20.68423 9.539849 10.40058       14.78866 
1 1 1 -1  23 35 o 41.65778 8.716784 93.42984       34.40007 74.23000       47.88834 113.9000       49.44719 36.66472 11.77259 44.98774 11.25733 -8.323017      16.28869 
1 1 1 -1  23 36 o 61.81854 6.423054 196.2818       38.29979 163.5000       51.71591 236.1000       56.99648 54.55640 10.05475 66.45521 8.992753 -11.89881      13.48954 
1 1 1 -1  23 37 o 80.66692 5.591911 330.5813       43.87988 322.7000       60.88367 339.1000       63.29775 78.18051 8.071951 80.07298 8.191296 -1.892464      11.50016 
1 1 1 -1  23 38 o 72.47556 5.994915 269.6883       42.14850 273.6000       58.28392 265.4000       61.02444 71.37135 8.510400 69.81659 9.149724 1.554764       12.49577 
1 1 1 -1  23 39 o 30.61889 9.999532 52.06221       34.46251 89.93000       48.81681 14.44000       48.65826 38.78186 11.80428 25.71333 10.96737 13.06853       16.11286 
1 1 1 -1  23 40 o 21.21430 8.976173 8.239347       32.14901 -30.83000      44.84465 49.55000       46.11302 19.84258 9.279986 30.66386 11.44508 -10.82128      14.73458 
1 1 1 -1  23 41 o 33.62345 11.55208 66.08000       45.93272 66.08000       45.93272 0.000000       0.000000 33.62345 11.55208 ?        ?        ?              ?        
1 1 1 -1  23 42 o 49.13834 7.494328 130.4783       34.90715 126.6000       49.54868 134.3000       49.18565 45.90353 11.14152 47.58357 10.80742 -1.680046      15.52204 
1 1 1 -1  23 43 o 30.60435 11.38592 51.80000       45.56562 0.000000       0.000000 51.80000       45.56562 ?        ?        30.60435 11.38592 ?              ?        
1 1 1 -1  23 44 o 55.23976 7.004138 163.6801       37.02136 129.4000       52.73198 197.0000       51.98816 45.50801 11.75549 58.80812 9.343710 -13.30010      15.01654 
1 1 1 -1  23 45 o 61.54141 6.394370 200.4408       37.95780 225.3000       54.72928 177.4000       52.68967 62.96619 9.147246 54.88777 10.18197 8.078426       13.68739 
1 1 1 -1  23 46 o 36.81692 9.252398 79.80550       33.29919 68.64000       47.51746 90.58000       46.67808 33.16324 11.72654 37.64311 11.55928 -4.479870      16.46598 
1 1 1 -1  23 47 o 44.06661 8.009867 109.3556       33.27719 105.8000       47.43939 112.8000       46.69164 40.58857 11.44772 42.23728 11.13689 -1.648708      15.97125 
1 1 1 -1  23 48 o 61.02314 6.178888 197.9899       36.39914 237.8000       52.23073 160.4000       50.75337 64.84083 8.428750 51.28245 10.46558 13.55838       13.43772 
1 1 1 -1  23 49 o 32.21312 9.430546 62.42381       31.62844 50.75000       45.19358 73.63000       44.27917 29.46585 11.25562 33.85569 11.34545 -4.389835      15.98149 
1 1 1 -1  23 50 o 17.28341 7.887306 -10.37190      29.61787 -39.55000      41.39922 20.22000       42.39035 17.64793 8.445068 24.26675 10.28921 -6.618813      13.31116 
1 1 1 -1  23 51 o 42.00213 11.16305 113.5000       46.67530 113.5000       46.67530 0.000000       0.000000 42.00213 11.16305 ?        ?        ?              ?        
1 1 1 -1  23 52 o 25.83322 10.65630 30.68000       43.62645 0.000000       0.000000 30.68000       43.62645 ?        ?        25.83322 10.65630 ?              ?        
1 1 1 -1  23 53 o 24.41993 9.085229 31.82435       29.01187 16.79000       39.01048 50.43000       43.39717 23.08598 9.832555 29.05736 11.04642 -5.971376      14.78859 
1 1 1 -1  23 54 o 45.06506 7.502679 114.6867       31.93196 98.12000       42.74784 135.6000       48.02938 38.74814 10.84510 45.85235 10.86823 -7.104210      15.35365 
1 1 1 -1  23 55 o 16.55714 7.595716 -10.29290      27.95052 -25.64000      37.34320 9.257000       42.14740 17.48923 8.268578 22.22562 9.829968 -4.736391      12.84514 
1 1 1 -1  24 1  o 443.1857 8.410327 9694.968       364.8420 9610.887       513.0953 9780.955       518.8824 439.2155 11.94587 443.0678 11.97543 -3.852356      16.91492 
1 1 1 -1  24 2  o 210.1900 4.416720 2167.343       90.86951 2057.977       124.8432 2290.569       132.5177 204.4832 6.244680 215.7321 6.282260 -11.24892      8.857924 
1 1 1 -1  24 3  o 339.8976 6.563561 5683.963       218.3705 5788.350       312.7915 5584.711       305.0008 341.9599 9.353662 335.9142 9.285028 6.045746       13.17963 
1 1 1 -1  24 4  o 258.0934 7.334292 3284.313       185.0976 0.000000       0.000000 3284.313       185.0976 ?        ?        258.0934 7.334292 ?              ?        
1 1 1 -1  24 5  o 150.5046 4.205256 1111.914       61.89029 968.4000       103.3434 1192.171       77.28183 139.9652 7.571400 155.7417 5.076295 -15.77644      9.115639 
1 1 1 -1  24 6  o 134.6041 4.041271 889.3729       53.18513 880.3000       94.69134 893.5543       64.28275 133.4715 7.275463 134.8291 4.878892 -1.357574      8.759906 
1 1 1 -1  24 7  o 119.7037 3.385140 702.8857       39.62360 687.0000       82.61288 707.6320       45.15659 117.8668 7.194890 120.0676 3.847248 -2.200813      8.158907 
1 1 1 -1  24 8  o 85.47691 4.037526 359.1535       33.68536 345.8000       62.61457 364.5925       39.96090 83.37038 7.762040 86.04999 4.762947 -2.679604      9.106861 
1 1 1 -1  24 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  24 10 o 194.4893 4.791740 1857.285       91.22108 2068.000       172.4899 1775.469       107.4813 204.3033 8.644994 189.9292 5.788180 14.37411       10.40380 
1 1 1 -1  24 11 o 34.30352 5.504294 59.27935       17.85700 188.4000       50.88927 41.14822       19.06957 61.10789 8.757948 28.33873 6.932672 32.76916       11.16976 
1 1 1 -1  24 12 o 186.3940 4.039461 1704.545       73.69900 1808.000       156.8077 1675.213       83.49566 191.0082 8.407649 184.6558 4.623133 6.352386       9.594891 
1 1 1 -1  24 13 o 103.9149 3.472362 530.0952       35.26945 0.000000       0.000000 530.0952       35.26945 ?        ?        103.9149 3.472362 ?              ?        
1 1 1 -1  24 14 o 55.45158 3.423550 151.3581       18.49158 0.000000       0.000000 151.3581       18.49158 ?        ?        55.45158 3.423550 ?              ?        
1 1 1 -1  24 15 o 109.2108 3.067279 585.1661       32.75629 673.8000       79.74495 567.1758       35.92715 116.6162 7.018640 107.4851 3.419172 9.131020       7.807179 
1 1 1 -1  24 16 o 81.31177 3.414874 324.8703       27.11855 0.000000       0.000000 324.8703       27.11855 ?        ?        81.31177 3.414874 ?              ?        
1 1 1 -1  24 17 o 86.10499 5.370462 366.4071       45.03794 355.5000       64.31882 376.9000       63.08561 84.33530 7.882855 86.94362 7.485683 -2.608315      10.87083 
1 1 1 -1  24 18 o 196.9845 6.153994 1917.119       118.5120 2087.000       176.2764 1777.000       160.0925 204.5304 8.825787 188.7572 8.688153 15.77321       12.38461 
1 1 1 -1  24 19 o 66.07964 6.173394 217.5450       39.46774 205.8000       56.16806 229.0000       55.47012 63.54012 9.306862 67.26866 8.622438 -3.728546      12.68716 
1 1 1 -1  24 20 o 59.47128 6.530239 177.1148       37.38931 189.6000       52.63716 164.4000       53.11907 60.94119 9.102796 56.43029 9.981956 4.510906       13.50927 
1 1 1 -1  24 21 o 73.57472 5.531278 268.8349       39.54293 273.8000       55.72774 263.8000       56.11860 73.72448 7.842639 72.29120 8.068149 1.433281       11.25176 
1 1 1 -1  24 22 o 91.42365 5.179909 414.0125       46.16433 441.5000       65.39075 386.7000       65.18219 93.91843 7.167242 87.71816 7.668636 6.200272       10.49654 
1 1 1 -1  24 23 o 69.74556 5.811932 242.6659       39.31712 213.1000       54.24073 275.4000       57.07292 64.51633 8.819804 73.72884 8.038395 -9.212517      11.93335 
1 1 1 -1  24 24 o 128.2080 5.135096 814.4283       64.31175 854.8000       92.09323 776.0000       89.84939 130.5757 7.233683 124.3171 7.417496 6.258659       10.36076 
1 1 1 -1  24 25 o 74.31951 5.645811 275.7160       40.76372 309.9000       57.93515 242.2000       57.36626 78.19881 7.667404 68.68440 8.729774 9.514412       11.61887 
1 1 1 -1  24 26 o 108.3002 5.090269 582.6414       53.80953 638.1000       76.73995 529.0000       75.47223 112.6230 6.995807 102.2546 7.594688 10.36839       10.32573 
1 1 1 -1  24 27 o 73.48701 8.036239 276.6000       56.86426 276.6000       56.86426 0.000000       0.000000 73.48701 8.036239 ?        ?        ?              ?        
1 1 1 -1  24 28 o 63.67442 6.140358 204.6562       37.79646 146.9000       51.62147 271.4000       55.49277 52.31475 10.44688 72.73008 7.922934 -20.41533      13.11145 
1 1 1 -1  24 29 o 92.42373 7.540788 435.9000       67.62677 0.000000       0.000000 435.9000       67.62677 ?        ?        92.42373 7.540788 ?              ?        
1 1 1 -1  24 30 o 92.22795 7.517252 435.1000       67.27414 0.000000       0.000000 435.1000       67.27414 ?        ?        92.22795 7.517252 ?              ?        
1 1 1 -1  24 31 o 81.93422 5.424898 337.0783       43.26241 331.3000       61.06838 342.9000       61.29684 80.11659 7.889572 81.58063 7.769893 -1.464035      11.07324 
1 1 1 -1  24 32 o 76.82149 5.470706 296.9270       40.86777 318.4000       58.31342 276.2000       57.29163 78.55446 7.681957 72.87225 8.172635 5.682205       11.21626 
1 1 1 -1  24 33 o 62.53561 6.118256 199.0897       36.97219 191.8000       52.24979 206.4000       52.32344 59.96942 9.193946 62.45240 8.803279 -2.482983      12.72896 
1 1 1 -1  24 34 o 84.46833 5.342209 359.3913       43.94307 345.1000       61.29856 374.5000       63.02727 81.49100 7.779124 84.99028 7.658285 -3.499275      10.91623 
1 1 1 -1  24 35 o 63.50263 6.215443 206.6127       38.13985 207.0000       53.10118 206.2000       54.81544 62.10988 8.996116 61.77336 9.358339 0.3365173      12.98109 
1 1 1 -1  24 36 o 62.74030 6.372341 202.9936       38.59146 169.0000       52.73124 242.2000       56.63024 55.11449 10.14836 67.10612 8.835928 -11.99162      13.45596 
1 1 1 -1  24 37 o 60.64661 6.651243 191.5636       38.83646 254.8000       54.74546 127.5000       55.10238 68.96723 8.274620 46.25633 12.05117 22.71090       14.61848 
1 1 1 -1  24 38 o 53.66304 7.202329 152.8029       36.87724 123.3000       51.32014 184.3000       53.02628 45.49211 11.51622 57.25812 9.814230 -11.76601      15.13085 
1 1 1 -1  24 39 f 73.52151 5.684825 278.0114       40.59320 247.3000       55.33396 313.8000       59.73301 67.29111 8.597022 76.28949 8.123959 -8.998383      11.82825 
1 1 1 -1  24 40 o 53.44897 9.968825 163.6000       50.23622 163.6000       50.23622 0.000000       0.000000 53.44897 9.968825 ?        ?        ?              ?        
1 1 1 -1  24 41 o 45.86668 7.891251 115.1594       34.15079 88.50000       48.30501 141.8000       48.28802 37.94504 11.77769 49.26643 10.34337 -11.32140      15.67480 
1 1 1 -1  24 42 f 26.03735 10.75403 25.10000       44.50537 0.000000       0.000000 25.10000       44.50537 ?        ?        26.03735 10.75403 ?              ?        
1 1 1 -1  24 43 f 27.03805 9.655780 39.43434       32.28976 63.59000       46.60257 17.13000       44.78112 32.64068 11.60611 24.80985 10.54962 7.830833       15.68427 
1 1 1 -1  24 44 o 32.05999 9.628815 60.43525       32.63497 42.46000       46.38171 78.06000       45.92728 28.72432 11.28330 35.37129 11.54309 -6.646973      16.14174 
1 1 1 -1  24 45 o 31.24273 9.555622 57.78728       31.93880 60.49000       45.53538 55.17000       44.80994 31.61649 11.44434 30.60558 11.30876 1.010908       16.08916 
1 1 1 -1  24 46 o 33.61766 9.414301 67.49214       32.20303 91.66000       46.73293 45.64000       44.43763 37.64381 11.56728 28.71367 11.11099 8.930141       16.03920 
1 1 1 -1  24 47 o 30.72545 9.495929 56.45830       31.43997 47.15000       44.22448 65.97000       44.70508 28.85249 11.10562 32.36679 11.38032 -3.514297      15.90115 
1 1 1 -1  24 48 o 29.67446 9.554297 52.55692       31.52662 80.57000       45.08410 25.75000       44.10283 35.23477 11.43225 25.35212 10.60710 9.882648       15.59510 
1 1 1 -1  24 49 o 27.57585 9.621112 44.17225       31.91288 2.949000       44.75318 86.82000       45.51985 22.45173 10.01775 36.41842 11.45270 -13.96669      15.21577 
1 1 1 -1  24 50 o 60.48911 9.165710 214.0000       52.57045 214.0000       52.57045 0.000000       0.000000 60.48911 9.165710 ?        ?        ?              ?        
1 1 1 -1  24 51 o 21.33455 9.687350 -4.885000      43.97966 0.000000       0.000000 -4.885000      43.97966 ?        ?        21.33455 9.687350 ?              ?        
1 1 1 -1  24 52 o 20.14503 9.141657 -5.986000      39.09133 -5.986000      39.09133 0.000000       0.000000 20.14503 9.141657 ?        ?        ?              ?        
1 1 1 -1  24 53 o 35.31516 9.001879 75.40920       31.20533 106.0000       42.62560 40.08000       45.80807 40.58413 10.61215 27.21319 11.03575 13.37095       15.31031 
1 1 1 -1  24 54 o 23.45793 9.024318 28.73725       29.19049 42.53000       38.54531 10.19000       44.69777 26.92481 10.36690 22.78484 10.09786 4.139973       14.47202 
1 1 1 -1  24 55 o 24.96970 9.213875 35.92566       29.72868 81.49000       40.07224 -19.85000      44.33569 34.84692 10.71191 19.52129 9.160950 15.32563       14.09496 
1 1 1 -1  25 1  o 221.2059 4.593585 2401.920       99.46141 2582.326       147.3721 2251.008       134.7881 228.9126 6.584014 213.7411 6.449924 15.17155       9.216874 
1 1 1 -1  25 2  o 215.5584 4.504083 2280.601       95.03368 2152.530       130.2813 2426.243       138.9312 209.0235 6.375123 221.9207 6.402506 -12.89719      9.035169 
1 1 1 -1  25 3  o 173.8897 3.928127 1483.118       66.85989 1321.856       89.39098 1687.883       100.7296 163.8880 5.580515 185.2199 5.562317 -21.33183      7.879182 
1 1 1 -1  25 4  o 106.2769 3.930754 554.7578       40.81993 455.8000       70.28094 605.1345       50.14495 95.82424 7.554055 110.9300 4.628359 -15.10577      8.859201 
1 1 1 -1  25 5  o 146.0373 3.599527 1045.724       51.45358 1028.000       105.0168 1051.322       59.02350 144.1615 7.467690 146.3272 4.125030 -2.165787      8.531253 
1 1 1 -1  25 6  o 266.9774 6.165569 3507.774       161.1216 3382.000       273.9565 3574.284       199.2188 260.4653 10.76870 269.0151 7.573205 -8.549805      13.16504 
1 1 1 -1  25 7  o 129.3951 4.029027 822.2040       50.96763 762.3000       88.36593 852.0674       62.39152 124.0998 7.306907 131.6275 4.850832 -7.527687      8.770488 
1 1 1 -1  25 8  f 98.99653 4.722262 482.3696       45.62704 515.7000       69.63940 457.3000       60.39603 102.0291 7.015789 96.14333 6.455161 5.885773       9.533646 
1 1 1 -1  25 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  25 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  25 11 o 160.3864 4.230425 1263.741       66.35574 1461.000       130.1278 1194.424       77.13835 171.7116 7.762269 155.7937 5.065144 15.91786       9.268683 
1 1 1 -1  25 12 o 193.5913 4.761648 1841.779       90.22965 0.000000       0.000000 1841.779       90.22965 ?        ?        193.5913 4.761648 ?              ?        
1 1 1 -1  25 13 o 128.9648 5.086293 819.2817       64.08057 779.7000       89.82662 860.3000       91.44221 125.3619 7.352656 131.7574 7.116728 -6.395523      10.23276 
1 1 1 -1  25 14 o 120.6555 3.220695 714.4907       38.00269 697.6000       83.49338 718.9044       42.67995 118.5450 7.229910 120.9845 3.608059 -2.439491      8.080203 
1 1 1 -1  25 15 o 106.2785 3.058495 554.3856       31.78392 657.7000       76.82906 533.0529       34.91147 115.1384 6.848025 104.1733 3.428447 10.96514       7.658309 
1 1 1 -1  25 16 o 153.1297 4.177526 1153.225       62.55745 1315.000       120.6752 1093.774       73.15453 162.6324 7.601652 148.9646 5.024281 13.66777       9.111999 
1 1 1 -1  25 17 o 92.81373 5.158221 425.7715       46.67741 419.1000       66.89997 432.1000       65.15813 91.57608 7.529875 93.07380 7.208264 -1.497719      10.42392 
1 1 1 -1  25 18 o 119.1683 5.059451 701.2023       58.88178 817.5000       87.86497 606.4000       79.33035 128.1795 7.030027 110.2400 7.394574 17.93952       10.20299 
1 1 1 -1  25 19 o 164.7037 5.533387 1341.601       89.08066 1431.000       129.7980 1262.000       122.4785 169.2247 7.857516 158.8787 7.900462 10.34602       11.14261 
1 1 1 -1  25 20 o 133.2267 5.161572 877.7470       67.18264 976.3000       98.49410 792.0000       91.87235 139.8399 7.220145 125.8164 7.494000 14.02356       10.40627 
1 1 1 -1  25 21 o 134.8406 5.178346 900.0266       68.21975 901.5000       95.63356 898.5000       97.34377 134.2041 7.307688 133.9195 7.455485 0.2846527      10.43966 
1 1 1 -1  25 22 o 72.87000 5.598054 264.6815       39.62354 258.7000       55.07401 271.1000       57.05054 71.36235 8.023289 73.04121 8.116581 -1.678856      11.41280 
1 1 1 -1  25 23 o 96.85841 5.104236 465.7337       48.22126 423.5000       66.02995 514.0000       70.58839 91.62166 7.426297 101.0851 7.180865 -9.463409      10.33028 
1 1 1 -1  25 24 o 98.57656 5.092854 482.7781       48.97408 447.2000       67.30981 522.8000       71.38973 94.09766 7.366591 101.8470 7.207687 -7.749329      10.30618 
1 1 1 -1  25 25 o 54.57568 9.710256 157.0000       49.97100 157.0000       49.97100 0.000000       0.000000 54.57568 9.710256 ?        ?        ?              ?        
1 1 1 -1  25 26 o 81.97660 7.605027 342.7000       60.32772 342.7000       60.32772 0.000000       0.000000 81.97660 7.605027 ?        ?        ?              ?        
1 1 1 -1  25 27 o 83.73818 5.353126 350.6877       43.64725 322.2000       60.04765 382.6000       63.55461 79.28339 7.840162 86.57760 7.575804 -7.294212      10.90234 
1 1 1 -1  25 28 o 57.60512 9.849625 176.8000       53.54338 0.000000       0.000000 176.8000       53.54338 ?        ?        57.60512 9.849625 ?              ?        
1 1 1 -1  25 29 o 39.47647 9.009856 83.60062       34.04482 126.2000       48.39951 41.88000       47.89771 48.07740 10.57296 30.85230 11.63311 17.22509       15.71995 
1 1 1 -1  25 30 o 77.47432 5.539406 302.0733       41.73035 330.0000       59.53485 275.1000       58.50975 80.00129 7.697608 72.64395 8.382067 7.357338       11.38034 
1 1 1 -1  25 31 o 49.35446 7.473693 126.9135       34.97630 90.42000       48.54718 166.3000       50.43470 40.23686 11.65637 55.64898 9.606133 -15.41212      15.10459 
1 1 1 -1  25 32 o 74.70524 5.586539 281.9371       40.55494 279.5000       56.64545 284.5000       58.08846 73.18692 8.039457 73.76453 8.182672 -0.5776138     11.47122 
1 1 1 -1  25 33 o 26.29932 9.480103 32.62776       31.20560 -1.327000      41.66278 76.02000       47.09816 22.69954 9.914580 36.92467 11.65462 -14.22513      15.30128 
1 1 1 -1  25 34 o 63.53517 6.221113 207.1034       38.19377 143.9000       51.07275 287.3000       57.53033 50.63407 10.64330 73.82609 8.093773 -23.19202      13.37120 
1 1 1 -1  25 35 o 95.78444 5.304599 464.5710       49.53982 494.1000       69.91741 434.8000       70.20322 97.28403 7.397861 90.76785 7.982912 6.516174       10.88371 
1 1 1 -1  25 36 o 66.65239 6.215006 229.5941       40.08009 154.5000       52.45907 334.9000       62.12179 51.93560 10.67625 79.19737 8.128843 -27.26178      13.41866 
1 1 1 -1  25 37 o 56.62464 6.884625 168.9982       37.37535 155.1000       51.71120 184.2000       54.08191 51.85821 10.54690 57.00494 10.06009 -5.146732      14.57540 
1 1 1 -1  25 38 o 47.87353 7.918706 124.5610       35.81087 58.66000       47.39984 212.2000       54.66127 32.32983 11.67987 61.65755 9.349996 -29.32773      14.96134 
1 1 1 -1  25 39 o 16.92221 8.168501 -52.26000      40.71621 -52.26000      40.71621 0.000000       0.000000 16.92221 8.168501 ?        ?        ?              ?        
1 1 1 -1  25 40 o 42.50514 8.396841 100.6621       33.69561 81.74000       46.81608 121.0000       48.53604 36.58248 11.62874 44.78699 11.12225 -8.204510      16.09137 
1 1 1 -1  25 41 o 65.75381 8.831682 241.2000       55.40614 0.000000       0.000000 241.2000       55.40614 ?        ?        65.75381 8.831682 ?              ?        
1 1 1 -1  25 42 o 61.05617 6.481179 197.3697       38.14279 174.6000       53.84747 220.3000       54.03712 54.24422 10.52131 62.37887 9.119575 -8.134644      13.92353 
1 1 1 -1  25 43 o 64.73771 6.176085 220.7935       38.66228 250.1000       55.57082 193.3000       53.82443 66.71729 8.717799 57.51363 9.919187 9.203659       13.20569 
1 1 1 -1  25 44 o 31.45944 9.635536 58.81165       32.46053 84.60000       46.82872 34.96000       45.03599 36.34152 11.63891 27.14026 10.96540 9.201260       15.99075 
1 1 1 -1  25 45 o 23.08407 9.145846 23.43771       30.70903 16.13000       44.17815 30.27000       42.71695 24.13993 10.37638 25.97900 10.61137 -1.839071      14.84151 
1 1 1 -1  25 46 o 31.82125 9.598734 61.10130       32.38003 75.81000       46.10092 46.78000       45.48975 34.22026 11.57694 28.82228 11.21713 5.397982       16.11985 
1 1 1 -1  25 47 o 38.13938 8.950361 85.73893       32.83542 152.7000       47.90857 26.42000       45.09192 50.21631 10.09720 25.57497 10.71458 24.64134       14.72263 
1 1 1 -1  25 48 o 17.44794 7.948071 -9.652514      29.90347 -32.32000      42.18126 13.25000       42.39937 18.41155 8.729193 23.28788 10.08829 -4.876333      13.34063 
1 1 1 -1  25 49 o 57.29561 6.583696 177.5593       36.25284 189.8000       50.45945 164.5000       52.11934 56.62821 9.435215 51.36269 10.71401 5.265526       14.27632 
1 1 1 -1  25 50 o 29.76939 11.17638 53.96000       44.10600 0.000000       0.000000 53.96000       44.10600 ?        ?        29.76939 11.17638 ?              ?        
1 1 1 -1  25 51 o 37.27524 8.720009 82.29790       31.24674 71.88000       41.88646 95.37000       46.91979 33.24699 11.03220 37.68658 11.59219 -4.439587      16.00276 
1 1 1 -1  25 52 o 38.49511 8.447363 87.22247       30.95384 72.66000       41.64456 105.2000       46.27066 33.23291 10.99934 39.65728 11.34646 -6.424370      15.80277 
1 1 1 -1  25 53 o 23.24225 9.891555 19.75000       39.42747 19.75000       39.42747 0.000000       0.000000 23.24225 9.891555 ?        ?        ?              ?        
1 1 1 -1  25 54 o 18.47641 8.135043 2.785735       28.55929 11.48000       37.62230 -9.037000      43.87204 21.62039 9.432805 20.41589 9.420407 1.204494       13.33124 
1 1 1 -1  26 1  o 115.2206 4.921619 653.5110       55.37871 653.5110       55.37871 0.000000       0.000000 115.2206 4.921619 ?        ?        ?              ?        
1 1 1 -1  26 2  o 102.0470 3.380925 511.1818       33.72423 483.9972       47.92323 537.8508       47.46657 99.12054 4.955136 104.5415 4.650301 -5.421013      6.795489 
1 1 1 -1  26 3  o 351.0928 7.852813 6095.395       269.8693 6563.000       492.6472 5894.918       322.5736 360.0584 14.00509 344.2817 9.581447 15.77670       16.96899 
1 1 1 -1  26 4  o 144.4576 3.592172 1023.555       50.79299 1089.000       106.9637 1004.502       57.71535 148.3001 7.391967 142.9975 4.127731 5.302612       8.466366 
1 1 1 -1  26 5  o 143.2357 3.592667 1006.974       50.33052 1089.000       106.6195 983.4540       57.09206 148.2956 7.368250 141.4873 4.126829 6.808319       8.445225 
1 1 1 -1  26 6  o 163.0565 4.406230 1306.623       70.26084 1242.000       120.3084 1340.071       86.55486 158.2725 7.789697 164.9680 5.367400 -6.695465      9.459828 
1 1 1 -1  26 7  o 197.6172 6.043266 1925.687       116.7595 1812.000       161.5554 2050.000       168.9374 190.9329 8.666994 203.1621 8.514138 -12.22920      12.14938 
1 1 1 -1  26 8  o 168.5743 5.474168 1400.015       90.20686 1383.000       129.6087 1416.000       125.6279 166.9354 7.954829 169.0173 7.613162 -2.081863      11.01088 
1 1 1 -1  26 9  o 114.9140 3.336864 648.2181       37.49364 654.5000       80.44810 646.4750       42.37752 114.8503 7.192224 114.7109 3.779358 0.1394119      8.124754 
1 1 1 -1  26 10 o 69.06448 4.830689 235.6754       32.45062 0.000000       0.000000 235.6754       32.45062 ?        ?        69.06448 4.830689 ?              ?        
1 1 1 -1  26 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  26 12 o 124.4145 3.750088 760.6390       45.61658 0.000000       0.000000 760.6390       45.61658 ?        ?        124.4145 3.750088 ?              ?        
1 1 1 -1  26 13 o 140.8967 3.911107 975.8973       53.88731 1003.000       102.2753 965.4821       63.40155 142.0446 7.381289 140.0175 4.632440 2.027191       8.714524 
1 1 1 -1  26 14 o 55.27668 3.901664 150.8638       20.97484 0.000000       0.000000 150.8638       20.97484 ?        ?        55.27668 3.901664 ?              ?        
1 1 1 -1  26 15 o 48.37390 3.431508 115.4651       16.14261 128.6000       48.56005 113.8333       17.11601 49.67829 10.32379 48.00070 3.670760 1.677589       10.95697 
1 1 1 -1  26 16 o 101.9364 3.020340 510.3687       30.10316 527.0000       71.20076 506.7486       33.21815 102.7646 7.122467 101.5327 3.347012 1.231895       7.869689 
1 1 1 -1  26 17 o 76.28139 5.495119 289.0015       40.75507 299.5000       58.05427 278.8000       57.22738 77.10444 7.799293 74.31217 7.993041 2.792267       11.16771 
1 1 1 -1  26 18 o 36.69042 9.137696 70.40624       32.69197 113.9000       46.88530 29.25000       45.60800 46.47773 10.54832 29.00647 11.24759 17.47126       15.41996 
1 1 1 -1  26 19 o 77.07590 5.431924 295.4283       40.71817 293.7000       57.23116 297.2000       57.94382 76.22210 7.779860 76.66315 7.831630 -0.4410477     11.03905 
1 1 1 -1  26 20 o 102.8613 5.049437 524.5079       50.68412 570.0000       72.74938 481.6000       70.65294 106.6233 7.009490 97.82202 7.434505 8.801270       10.21787 
1 1 1 -1  26 21 o 85.97716 5.283024 367.6577       44.24555 432.3000       63.29913 305.9000       61.87063 92.70853 7.027793 77.46817 8.287978 15.24036       10.86648 
1 1 1 -1  26 22 o 164.4100 5.600193 1344.508       89.99179 1429.000       130.5459 1268.000       124.2245 168.1445 7.954401 158.3130 8.042850 9.831512       11.31194 
1 1 1 -1  26 23 f 83.65369 5.359739 349.0670       43.65602 341.8000       60.42924 357.0000       63.13765 81.99612 7.616243 83.74170 7.792063 -1.745575      10.89603 
1 1 1 -1  26 24 o 50.96983 10.09560 138.7000       48.58568 138.7000       48.58568 0.000000       0.000000 50.96983 10.09560 ?        ?        ?              ?        
1 1 1 -1  26 25 o 76.18655 5.634084 291.1458       41.71805 269.9000       56.40676 316.8000       61.98320 72.40938 8.096934 78.46726 8.190573 -6.057884      11.51720 
1 1 1 -1  26 26 o 62.95196 6.139762 200.5171       37.35242 183.2000       51.03214 220.5000       54.81958 59.00060 9.131204 64.95838 8.851792 -5.957783      12.71743 
1 1 1 -1  26 27 o 54.59289 10.16559 160.5000       52.32349 0.000000       0.000000 160.5000       52.32349 ?        ?        54.59289 10.16559 ?              ?        
1 1 1 -1  26 28 o 35.04038 9.397073 66.29390       32.89090 57.64000       45.25858 75.98000       47.88168 33.44829 11.46783 37.32790 11.74707 -3.879612      16.41660 
1 1 1 -1  26 29 o 42.02203 8.596044 94.29370       34.16433 68.81000       46.82580 123.3000       49.95743 35.73008 11.65515 47.16306 11.02099 -11.43298      16.04072 
1 1 1 -1  26 30 o 59.46289 6.482232 180.9991       37.11897 183.5000       51.52098 178.3000       53.52462 58.58812 9.293877 57.43444 9.876855 1.153679       13.56202 
1 1 1 -1  26 31 o 75.03832 5.492070 284.3779       40.05965 320.7000       56.78824 248.4000       56.51854 78.71674 7.459300 68.58222 8.608403 10.13451       11.39060 
1 1 1 -1  26 32 o 39.41307 8.631928 84.14153       32.37676 64.07000       43.11361 110.1000       49.03019 34.22737 11.18483 43.99680 11.32009 -9.769428      15.91366 
1 1 1 -1  26 33 o 20.44968 8.707088 4.469411       30.57484 13.73000       40.93171 -7.220000      45.98719 24.46172 10.22547 22.86821 10.18236 1.593510       14.43055 
1 1 1 -1  26 34 o 65.65096 6.114270 221.8347       38.83918 246.7000       54.10545 195.4000       55.78691 67.91336 8.312231 59.27934 9.967768 8.634026       12.97881 
1 1 1 -1  26 35 o 46.45615 8.292983 117.5785       36.32664 111.0000       48.35651 126.1000       55.03653 43.37392 11.28406 45.73460 12.10636 -2.360680      16.54974 
1 1 1 -1  26 36 o 36.69943 9.397162 76.62174       33.89947 48.35000       46.73946 108.0000       49.24042 30.50568 11.49395 42.38339 11.55444 -11.87770      16.29773 
1 1 1 -1  26 37 o 80.69287 7.518584 347.3000       58.70169 347.3000       58.70169 0.000000       0.000000 80.69287 7.518584 ?        ?        ?              ?        
1 1 1 -1  26 38 o 48.63917 10.17078 137.4000       46.86235 137.4000       46.86235 0.000000       0.000000 48.63917 10.17078 ?        ?        ?              ?        
1 1 1 -1  26 39 o 53.30041 7.105356 152.1749       36.14744 116.8000       50.38260 189.7000       51.89117 43.55219 11.60837 57.78105 9.505136 -14.22886      15.00340 
1 1 1 -1  26 40 o 24.99679 10.55112 18.69000       44.24490 0.000000       0.000000 18.69000       44.24490 ?        ?        24.99679 10.55112 ?              ?        
1 1 1 -1  26 41 o 49.09626 7.614767 132.0124       35.40958 120.3000       49.89180 143.9000       50.26370 43.94064 11.47680 48.81600 10.80517 -4.875362      15.76289 
1 1 1 -1  26 42 o 87.98256 5.367394 400.0482       46.00393 335.3000       62.98278 474.1000       67.35593 77.60327 8.426661 93.62434 7.410281 -16.02107      11.22145 
1 1 1 -1  26 43 o 32.76876 9.647503 64.21426       33.02088 0.5111000      46.34486 129.9000       47.06051 22.72242 10.16253 46.01231 10.65853 -23.28989      14.72689 
1 1 1 -1  26 44 o 26.66983 9.634493 39.62613       32.25156 52.32000       46.20984 27.57000       45.03408 29.89139 11.39036 25.82935 10.75591 4.062040       15.66620 
1 1 1 -1  26 45 o 46.02922 7.849916 119.2285       34.09992 96.27000       47.90998 142.8000       48.54543 38.19803 11.70732 47.99963 10.61457 -9.801598      15.80286 
1 1 1 -1  26 46 o 17.34626 7.910346 -10.20813      29.72301 -28.02000      41.91248 7.813000       42.15796 18.74219 8.830126 22.58523 9.916026 -3.843046      13.27775 
1 1 1 -1  26 47 o 17.46260 8.015494 -12.45732      31.18334 48.56000       43.53791 -76.73000      44.68423 28.87971 11.04363 16.02929 7.908368 12.85043       13.58322 
1 1 1 -1  26 48 o 37.43064 9.056616 83.55797       32.81855 116.6000       46.30932 50.22000       46.51625 42.62295 11.01948 29.23113 11.35230 13.39182       15.82099 
1 1 1 -1  26 49 o 33.92892 11.53182 75.93000       45.74647 0.000000       0.000000 75.93000       45.74647 ?        ?        33.92892 11.53182 ?              ?        
1 1 1 -1  26 50 o 26.83281 9.299895 42.13618       29.79259 50.54000       39.51775 31.07000       45.34746 28.86036 10.62769 25.94404 10.79763 2.916319       15.15047 
1 1 1 -1  26 51 o 22.75188 8.916372 24.91350       28.90583 -18.78000      38.50386 81.34000       43.75598 18.54564 8.648848 34.87271 11.25835 -16.32707      14.19694 
1 1 1 -1  26 52 o 26.90788 9.249786 43.45515       29.44982 11.44000       38.99418 85.96000       44.93050 22.01222 9.603511 35.41156 11.40634 -13.39934      14.91080 
1 1 1 -1  26 53 o 27.47576 9.373310 46.71392       30.22781 72.83000       40.87708 15.20000       44.90317 32.70391 10.89979 23.18966 10.20578 9.514254       14.93195 
1 1 1 -1  27 1  o 300.2644 5.904842 4443.368       173.5475 4533.983       249.1461 4357.960       241.8815 302.1088 8.433533 296.2250 8.350421 5.883820       11.86819 
1 1 1 -1  27 2  o 84.71999 3.481887 352.7258       28.81246 411.0861       43.08335 305.5061       38.75363 91.30721 4.837833 78.64474 5.061138 12.66247       7.001410 
1 1 1 -1  27 3  o 162.0238 3.808490 1288.605       60.40014 1080.000       113.6164 1370.785       71.31181 147.4087 7.903189 166.9765 4.366896 -19.56773      9.029407 
1 1 1 -1  27 4  o 197.1481 4.268894 1909.425       82.37855 1724.000       157.4717 1979.289       96.65990 186.0454 8.671088 200.5977 4.922823 -14.55223      9.971056 
1 1 1 -1  27 5  o 221.9892 4.631840 2422.773       100.6449 2425.000       202.2429 2422.040       116.0330 220.3516 9.398301 221.7891 5.344845 -1.437454      10.81182 
1 1 1 -1  27 6  o 153.7535 4.267380 1162.447       64.16116 1098.000       110.6893 1195.057       78.73838 148.6557 7.632631 155.7261 5.172758 -7.070328      9.220329 
1 1 1 -1  27 7  o 146.0544 5.134284 1051.464       73.28661 976.9000       102.9733 1128.000       104.3258 140.1974 7.531394 150.8065 7.087323 -10.60909      10.34176 
1 1 1 -1  27 8  o 53.05707 5.280209 140.0123       27.05849 204.9000       52.71823 116.8041       31.52826 63.58771 8.697676 48.11612 6.890738 15.47160       11.09648 
1 1 1 -1  27 9  o 109.2056 3.741092 586.3497       39.93080 0.000000       0.000000 586.3497       39.93080 ?        ?        109.2056 3.741092 ?              ?        
1 1 1 -1  27 10 o 108.8798 3.655232 582.8291       38.90026 0.000000       0.000000 582.8291       38.90026 ?        ?        108.8798 3.655232 ?              ?        
1 1 1 -1  27 11 o 195.2218 4.874840 1877.177       93.15261 1962.000       168.0531 1839.556       111.9201 198.0378 8.690626 192.8714 5.935413 5.166321       10.52407 
1 1 1 -1  27 12 o 39.48573 4.656256 77.81597       17.65063 122.7000       49.15472 71.17191       18.91195 48.40923 10.66230 37.62907 5.279648 10.78016       11.89787 
1 1 1 -1  27 13 o 143.4129 3.489048 1010.294       48.97804 1058.000       105.6873 997.2466       55.27143 145.6364 7.438539 142.3524 3.970582 3.284042       8.431926 
1 1 1 -1  27 14 o 152.1478 4.060832 1139.801       60.42248 0.000000       0.000000 1139.801       60.42248 ?        ?        152.1478 4.060832 ?              ?        
1 1 1 -1  27 15 o 50.68970 3.637457 126.9689       17.92780 234.4000       51.10525 111.8930       19.14443 68.07288 7.811168 47.49420 4.160048 20.57867       8.849878 
1 1 1 -1  27 16 o 54.61534 3.086842 146.9675       16.43477 95.56000       48.57369 153.6134       17.46483 42.42549 11.43819 55.82553 3.209666 -13.40004      11.87998 
1 1 1 -1  27 17 o 80.79457 2.813688 320.8774       22.21780 373.5000       59.34609 312.2997       23.96027 86.21877 7.094805 79.67163 3.078220 6.547134       7.733802 
1 1 1 -1  27 18 o 38.82306 8.912321 79.16401       33.15047 134.6000       46.74831 23.09000       47.01655 50.63518 9.786215 28.13602 11.26072 22.49916       14.91891 
1 1 1 -1  27 19 o 91.40277 5.177608 415.2436       46.13337 446.8000       65.14619 383.5000       65.33911 94.19532 7.118356 86.99827 7.754021 7.197052       10.52596 
1 1 1 -1  27 20 f 122.9065 5.135427 750.2297       61.64527 817.9000       88.19897 685.6000       86.19473 127.5097 7.094631 116.4737 7.601973 11.03597       10.39826 
1 1 1 -1  27 21 o 104.4198 5.116890 542.4102       52.13995 516.9000       71.37540 571.6000       76.34975 101.1032 7.260709 106.2840 7.384871 -5.180847      10.35636 
1 1 1 -1  27 22 o 75.75314 5.613815 287.5509       41.33021 303.2000       57.48050 270.8000       59.46973 77.01711 7.729138 72.40042 8.556839 4.616692       11.53079 
1 1 1 -1  27 23 o 90.87031 7.425708 420.5000       65.47353 420.5000       65.47353 0.000000       0.000000 90.87031 7.425708 ?        ?        ?              ?        
1 1 1 -1  27 24 o 40.10339 8.839759 85.67261       33.76371 83.80000       45.95078 87.87000       49.77654 39.18628 11.33692 40.04328 11.85947 -0.8569946     16.40648 
1 1 1 -1  27 25 o 137.8477 5.291510 949.6667       71.26530 960.3000       100.4715 938.9000       101.1002 137.1908 7.510546 135.5455 7.651163 1.645279       10.72141 
1 1 1 -1  27 26 o 56.21748 10.16540 170.5000       53.87893 0.000000       0.000000 170.5000       53.87893 ?        ?        56.21748 10.16540 ?              ?        
1 1 1 -1  27 27 o 85.94836 5.322421 370.8919       44.55711 412.2000       63.13465 329.9000       62.89258 89.68147 7.254014 79.68301 8.179575 9.998466       10.93280 
1 1 1 -1  27 28 o 52.71076 7.241519 144.0667       36.37597 149.3000       50.03568 138.2000       52.97699 52.37305 10.12670 49.85237 11.13774 2.520683       15.05322 
1 1 1 -1  27 29 o 139.9143 5.312507 983.2214       72.62366 1020.000       103.4625 947.5000       101.9647 140.7088 7.539527 135.4367 7.723447 5.272018       10.79334 
1 1 1 -1  27 30 o 63.61356 6.181173 206.7505       38.00348 212.9000       52.53497 200.0000       55.04276 63.30783 8.708310 60.86046 9.554064 2.447372       12.92729 
1 1 1 -1  27 31 o 27.73240 9.638758 38.86103       32.01383 35.19000       43.63669 43.14000       47.11152 28.52403 11.01772 30.37294 11.51808 -1.848909      15.93915 
1 1 1 -1  27 32 o 42.72100 8.351446 98.88900       33.67065 72.54000       45.56013 130.6000       49.98135 35.73091 11.48382 47.80750 10.92083 -12.07659      15.84748 
1 1 1 -1  27 33 o 41.50966 8.603170 94.62700       33.80606 90.73000       45.60564 99.38000       50.36604 39.39674 11.26229 40.91802 11.87833 -1.521275      16.36868 
1 1 1 -1  27 34 f 74.26762 5.700575 283.2637       41.12364 293.8000       57.08914 271.9000       59.28839 74.00772 8.008224 70.57386 8.771347 3.433861       11.87721 
1 1 1 -1  27 35 o 43.50777 8.275265 104.0940       33.95409 91.46000       46.36927 118.7000       49.85685 39.04445 11.41532 44.51385 11.39530 -5.469398      16.12955 
1 1 1 -1  27 36 o 34.94720 11.27718 72.71000       43.90570 72.71000       43.90570 0.000000       0.000000 34.94720 11.27718 ?        ?        ?              ?        
1 1 1 -1  27 37 o 30.12024 9.556890 51.54664       31.63244 47.20000       42.57995 56.90000       47.25436 29.63663 11.01027 31.71712 11.63131 -2.080486      16.01603 
1 1 1 -1  27 38 o 47.05226 10.90632 132.9000       49.24848 0.000000       0.000000 132.9000       49.24848 ?        ?        47.05226 10.90632 ?              ?        
1 1 1 -1  27 39 o 62.06734 6.464018 203.6505       38.69625 195.1000       56.31298 211.3000       53.26378 57.61134 10.36723 61.05685 9.197585 -3.445511      13.85912 
1 1 1 -1  27 40 o 40.80749 8.821075 95.35562       34.20570 122.9000       49.26142 69.71000       47.53319 44.51233 11.29088 33.65365 11.74194 10.85868       16.28979 
1 1 1 -1  27 41 o 31.50646 9.824728 58.78804       33.57070 26.36000       46.93363 92.76000       48.03790 26.22008 10.95421 38.11727 11.73038 -11.89719      16.04981 
1 1 1 -1  27 42 o 37.00535 9.283199 81.07995       33.56425 95.38000       47.37643 66.67000       47.55814 38.41946 11.61533 32.64520 11.71137 5.774261       16.49460 
1 1 1 -1  27 43 o 28.17872 9.678716 46.29002       32.24247 93.02000       46.28634 2.241000       44.93898 37.82738 11.49030 22.49696 10.03819 15.33043       15.25754 
1 1 1 -1  27 44 o 21.23033 8.866054 14.05733       30.72731 7.861000       43.07044 20.48000       43.85002 22.73618 10.00115 24.52163 10.43365 -1.785450      14.45283 
1 1 1 -1  27 45 o 41.77803 8.458291 100.7943       33.40094 122.1000       47.21471 79.45000       47.25745 43.80358 11.02243 34.75356 11.72133 9.050018       16.08986 
1 1 1 -1  27 46 o 21.80526 9.739120 1.732000       42.41044 1.732000       42.41044 0.000000       0.000000 21.80526 9.739120 ?        ?        ?              ?        
1 1 1 -1  27 47 o 40.40864 8.661791 95.68265       33.23059 96.34000       46.90119 95.02000       47.08970 38.05275 11.56792 37.74640 11.61363 0.3063545      16.39187 
1 1 1 -1  27 48 o 34.15473 11.60443 77.50000       46.32385 0.000000       0.000000 77.50000       46.32385 ?        ?        34.15473 11.60443 ?              ?        
1 1 1 -1  27 49 o 20.63045 8.633487 13.39892       29.22731 20.53000       38.88095 4.134000       44.31800 23.51547 9.906466 22.26963 9.950491 1.245842       14.04102 
1 1 1 -1  27 50 o 28.33731 9.266545 48.53273       29.59076 94.76000       39.86080 -8.216000      44.16467 38.50575 10.35309 20.83741 9.555108 17.66834       14.08853 
1 1 1 -1  27 51 o 17.37449 7.821428 -4.251668      27.94795 -4.957000      37.05477 -3.321000      42.56424 19.56059 8.885859 20.88761 9.502335 -1.327023      13.00972 
1 1 1 -1  27 52 o 17.53502 7.910537 -3.948364      28.76347 2.138000       37.91539 -12.20000      44.14754 20.42629 9.159527 20.12556 9.343373 0.3007336      13.08417 
1 1 1 -1  28 1  o 199.4963 4.283552 1956.982       83.64596 2113.877       124.1957 1826.733       113.1595 206.7388 6.144133 192.2121 6.021994 14.52667       8.603184 
1 1 1 -1  28 2  o 188.9231 4.788228 1758.276       88.47408 1883.000       161.6174 1704.905       105.7225 194.1568 8.524899 185.7419 5.822210 8.414948       10.32337 
1 1 1 -1  28 3  o 111.1623 3.377086 607.1307       36.70303 642.3000       78.41665 597.2648       41.53331 113.6030 7.087306 110.1893 3.856747 3.413704       8.068730 
1 1 1 -1  28 4  o 186.8251 4.767206 1719.650       87.10648 1622.000       147.8743 1771.538       107.7929 180.1780 8.407828 189.3165 5.823878 -9.138489      10.22786 
1 1 1 -1  28 5  o 128.4023 4.014675 811.2140       50.39595 736.0000       87.15569 848.9931       61.76923 121.5280 7.361298 131.2092 4.817698 -9.681221      8.797666 
1 1 1 -1  28 6  o 60.34695 3.968747 179.7742       23.31297 192.0000       52.83486 176.8184       25.97870 61.32345 9.075812 59.77710 4.472351 1.546345       10.11792 
1 1 1 -1  28 7  f 177.4815 3.954660 1548.513       68.70186 1615.000       143.5527 1528.761       78.24435 179.7731 8.179365 176.1639 4.541425 3.609207       9.355563 
1 1 1 -1  28 8  o 148.2351 4.131463 1081.696       59.88767 0.000000       0.000000 1081.696       59.88767 ?        ?        148.2351 4.131463 ?              ?        
1 1 1 -1  28 9  o 145.7858 4.197812 1046.722       59.84006 1144.000       112.5370 1008.375       70.65696 151.3475 7.621028 142.8853 5.059961 8.462204       9.147856 
1 1 1 -1  28 10 o 119.7606 3.320897 705.0079       38.89161 883.7000       90.38034 664.4009       43.08456 133.1525 6.958705 116.1801 3.793731 16.97238       7.925653 
1 1 1 -1  28 11 o 111.1797 3.811397 608.6747       41.41649 633.9000       77.83797 598.7126       48.91575 112.6285 7.096605 110.1226 4.547801 2.505814       8.428778 
1 1 1 -1  28 12 o 90.69284 3.818505 405.3885       33.82204 381.6000       64.95201 414.2385       39.61700 87.05061 7.702195 91.56862 4.433239 -4.518013      8.886924 
1 1 1 -1  28 13 o 54.22313 3.543954 145.1979       18.70649 174.6000       51.49173 140.7274       20.07833 58.09448 9.374185 53.33130 3.872650 4.763184       10.14262 
1 1 1 -1  28 14 o 115.2738 3.193209 653.5276       35.99529 742.2000       83.18032 633.0967       39.92734 121.7460 7.009705 113.3805 3.602279 8.365494       7.881140 
1 1 1 -1  28 15 o 54.67819 4.000126 148.1027       21.26075 0.000000       0.000000 148.1027       21.26075 ?        ?        54.67819 4.000126 ?              ?        
1 1 1 -1  28 16 o 97.88521 3.350425 471.9031       32.05403 0.000000       0.000000 471.9031       32.05403 ?        ?        97.88521 3.350425 ?              ?        
1 1 1 -1  28 17 o 34.92771 3.571064 60.68960       12.03718 67.49000       44.07645 60.14153       12.51285 35.99111 11.26274 34.74092 3.738434 1.250191       11.86698 
1 1 1 -1  28 18 o 73.06433 5.637068 267.0928       40.00332 211.2000       53.46149 338.2000       60.30040 63.89677 8.779712 81.57030 7.641298 -17.67353      11.63928 
1 1 1 -1  28 19 o 99.70386 5.159056 495.0531       50.17747 465.9000       68.74250 528.3000       73.41063 95.85262 7.383682 102.0960 7.396025 -6.243385      10.45083 
1 1 1 -1  28 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  28 21 o 70.63046 8.171082 257.4000       55.45014 257.4000       55.45014 0.000000       0.000000 70.63046 8.171082 ?        ?        ?              ?        
1 1 1 -1  28 22 o 26.64270 10.82056 19.93000       44.11549 19.93000       44.11549 0.000000       0.000000 26.64270 10.82056 ?        ?        ?              ?        
1 1 1 -1  28 23 o 38.84730 8.890700 80.81036       33.07395 82.88000       45.40078 78.47000       48.27907 38.87210 11.27565 37.94643 11.77394 0.9256783      16.30233 
1 1 1 -1  28 24 o 67.30340 8.818637 237.8000       56.69959 0.000000       0.000000 237.8000       56.69959 ?        ?        67.30340 8.818637 ?              ?        
1 1 1 -1  28 25 o 117.0182 7.464995 702.1000       85.05869 0.000000       0.000000 702.1000       85.05869 ?        ?        117.0182 7.464995 ?              ?        
1 1 1 -1  28 26 o 76.38894 5.672588 294.5707       42.11214 335.3000       59.18316 252.8000       59.93507 80.58777 7.592253 69.11187 9.079120 11.47590       11.83523 
1 1 1 -1  28 27 o 86.10369 5.427170 373.5125       45.50785 392.6000       63.38005 353.2000       65.38229 87.17734 7.500346 82.21808 8.235036 4.959259       11.13872 
1 1 1 -1  28 28 o 56.69709 6.745627 165.8919       36.70286 136.7000       49.51226 201.5000       54.68353 49.63204 10.51882 61.17009 9.436080 -11.53806      14.13100 
1 1 1 -1  28 29 o 37.14091 9.211656 75.76787       33.32447 60.42000       45.55799 93.43000       48.87222 33.53615 11.50545 40.39375 11.69339 -6.857594      16.40460 
1 1 1 -1  28 30 o 77.70148 5.498437 306.5036       41.54902 252.1000       55.63685 375.1000       62.47403 68.77768 8.441148 84.64931 7.621500 -15.87164      11.37278 
1 1 1 -1  28 31 o 28.15947 9.749510 41.26818       32.73920 1.386000       43.37565 94.07000       49.90925 23.14263 10.11205 39.95100 11.88607 -16.80838      15.60552 
1 1 1 -1  28 32 o 61.95617 6.488973 199.8626       38.76893 235.1000       52.67130 158.2000       57.27233 66.02689 8.335188 51.79342 11.58731 14.23347       14.27379 
1 1 1 -1  28 33 o 44.04294 8.302244 106.6049       34.47897 97.05000       46.84496 117.9000       50.93233 40.24614 11.38429 44.24019 11.61575 -3.994057      16.26431 
1 1 1 -1  28 34 o 36.44474 9.150506 75.52985       32.59121 54.63000       44.25391 100.3000       48.17750 31.34368 11.29061 40.65916 11.55993 -9.315481      16.15889 
1 1 1 -1  28 35 o 52.18617 9.829128 156.3000       48.36690 156.3000       48.36690 0.000000       0.000000 52.18617 9.829128 ?        ?        ?              ?        
1 1 1 -1  28 36 o 17.64263 8.016894 -11.34963      30.18872 -20.25000      40.17257 0.1973000      45.75711 19.45520 8.990387 22.98882 10.20101 -3.533621      13.59734 
1 1 1 -1  28 37 o 28.84676 11.19585 42.43000       45.22071 0.000000       0.000000 42.43000       45.22071 ?        ?        28.84676 11.19585 ?              ?        
1 1 1 -1  28 38 o 51.52484 7.188195 143.6408       35.26744 113.0000       48.44131 178.2000       51.44552 42.60062 11.39507 55.33374 9.860010 -12.73311      15.06876 
1 1 1 -1  28 39 o 61.49111 6.486519 200.9629       38.45427 220.0000       55.51206 183.4000       53.31928 61.78012 9.482201 55.73258 10.14766 6.047535       13.88838 
1 1 1 -1  28 40 o 45.71602 8.094569 117.1152       34.89624 122.5000       49.99689 112.0000       48.72900 44.02090 11.48451 42.00494 11.51182 2.015961       16.26088 
1 1 1 -1  28 41 o 42.49417 8.650054 104.1166       34.75469 116.6000       50.04794 92.49000       48.29977 42.40039 11.68503 37.60500 11.79321 4.795391       16.60180 
1 1 1 -1  28 42 o 24.26708 9.395468 28.92146       31.78766 -27.90000      44.12953 90.20000       45.82762 19.29573 9.081552 37.21560 11.45813 -17.91988      14.62065 
1 1 1 -1  28 43 o 50.18805 7.287997 139.2742       34.75677 172.9000       49.24607 105.9000       49.06145 53.78694 9.711082 39.92632 11.76082 13.86062       15.25195 
1 1 1 -1  28 44 o 19.55809 8.478577 5.175626       29.99134 38.87000       41.50007 -31.66000      43.39145 27.03533 10.65679 18.73923 8.875427 8.296097       13.86868 
1 1 1 -1  28 45 o 46.94923 10.66495 138.4000       47.89132 138.4000       47.89132 0.000000       0.000000 46.94923 10.66495 ?        ?        ?              ?        
1 1 1 -1  28 46 o 27.45673 9.605380 44.28963       31.82118 53.73000       44.75729 34.64000       45.25066 29.67827 11.23302 26.56013 10.89350 3.118139       15.64765 
1 1 1 -1  28 47 o 22.44202 9.982296 5.401000       44.08145 0.000000       0.000000 5.401000       44.08145 ?        ?        22.44202 9.982296 ?              ?        
1 1 1 -1  28 48 o 21.55836 8.817235 18.25031       29.54080 13.63000       39.53605 24.09000       44.44802 22.58997 9.763817 24.77177 10.52098 -2.181795      14.35351 
1 1 1 -1  28 49 o 51.60041 6.757375 146.4193       33.31077 117.0000       44.05278 185.7000       50.90343 42.68898 10.59315 55.14334 9.789335 -12.45435      14.42380 
1 1 1 -1  28 50 o 23.22324 8.958362 27.90685       28.82096 28.92000       38.46532 26.61000       43.51890 24.50502 10.04632 24.72892 10.45244 -0.2238998     14.49766 
1 1 1 -1  28 51 o 21.12306 8.703195 18.07001       29.05503 25.19000       38.11489 8.193000       44.89186 23.64773 9.874968 22.35046 9.998651 1.297268       14.05304 
1 1 1 -1  29 1  o 151.5402 3.668383 1128.892       54.41376 1115.297       77.29739 1142.248       76.61252 150.1842 5.266316 152.0222 5.156031 -1.837936      7.370125 
1 1 1 -1  29 2  o 101.2127 3.351110 503.7695       33.15361 520.4000       70.25851 499.0056       37.60351 102.0392 7.078249 100.6597 3.823462 1.379532       8.044903 
1 1 1 -1  29 3  o 88.76023 4.017117 388.4503       34.81063 416.2000       63.39077 376.4691       41.65307 91.16861 7.160971 87.22009 4.898612 3.948517       8.676169 
1 1 1 -1  29 4  o 60.69702 4.696622 182.7227       27.68661 177.9000       52.55992 184.5748       32.57200 58.72673 9.465194 60.85205 5.528724 -2.125328      10.96160 
1 1 1 -1  29 5  o 95.66457 3.360482 450.2046       31.41839 401.8000       65.12055 464.8903       35.86921 89.43958 7.507671 97.14890 3.779261 -7.709320      8.405233 
1 1 1 -1  29 6  o 51.09232 4.408966 129.5793       21.83399 111.2000       49.58777 133.9995       24.31819 45.78490 11.16643 51.88874 4.843946 -6.103836      12.17181 
1 1 1 -1  29 7  o 154.0190 4.222472 1169.502       63.59709 0.000000       0.000000 1169.502       63.59709 ?        ?        154.0190 4.222472 ?              ?        
1 1 1 -1  29 8  o 125.1576 3.394262 770.5812       41.54393 909.3000       93.73422 736.6707       46.34438 134.8224 7.128132 122.2749 3.877062 12.54752       8.114301 
1 1 1 -1  29 9  o 65.21540 4.730876 211.0721       29.99405 0.000000       0.000000 211.0721       29.99405 ?        ?        65.21540 4.730876 ?              ?        
1 1 1 -1  29 10 o 117.7914 4.993430 687.2360       57.44238 688.2000       81.84203 686.3000       80.64283 117.1387 7.172273 117.0148 7.073786 0.1239243      10.07372 
1 1 1 -1  29 11 o 101.2142 4.978940 507.9165       49.17559 556.1000       71.73544 465.2000       67.54331 105.2696 7.001643 96.16364 7.228629 9.105972       10.06360 
1 1 1 -1  29 12 o 163.5817 4.396420 1322.032       70.33090 1356.000       126.2230 1306.738       84.69712 163.9813 7.887025 162.2708 5.339664 1.710480       9.524556 
1 1 1 -1  29 13 o 59.52326 3.455149 174.9602       20.04421 236.9000       52.97267 164.6099       21.65427 68.08483 8.107775 57.66501 3.858615 10.41982       8.979137 
1 1 1 -1  29 14 o 86.86337 3.120764 371.5290       26.49095 403.0000       62.98264 364.7648       29.19940 89.30960 7.267470 86.00514 3.475672 3.304459       8.055832 
1 1 1 -1  29 15 o 146.8566 3.530563 1062.438       50.75090 1177.000       112.0744 1032.886       56.92142 152.6514 7.523839 144.6041 4.025425 8.047318       8.533007 
1 1 1 -1  29 16 f 105.1228 3.119842 544.2599       32.06675 537.8000       71.86071 545.8661       35.83213 103.1283 7.163335 105.1963 3.484703 -2.068008      7.965960 
1 1 1 -1  29 17 o 53.15373 3.177614 139.6008       16.45713 0.000000       0.000000 139.6008       16.45713 ?        ?        53.15373 3.177614 ?              ?        
1 1 1 -1  29 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  29 19 o 44.48686 10.84414 108.1000       46.78536 108.1000       46.78536 0.000000       0.000000 44.48686 10.84414 ?        ?        ?              ?        
1 1 1 -1  29 20 o 116.8477 7.182675 694.3000       81.75397 694.3000       81.75397 0.000000       0.000000 116.8477 7.182675 ?        ?        ?              ?        
1 1 1 -1  29 21 o 64.79079 8.536064 219.4000       52.81925 219.4000       52.81925 0.000000       0.000000 64.79079 8.536064 ?        ?        ?              ?        
1 1 1 -1  29 22 o 109.7993 5.073159 602.8033       54.37619 624.0000       76.27675 580.9000       77.53786 110.6207 7.081684 106.4657 7.488190 4.155022       10.30647 
1 1 1 -1  29 23 o 31.34815 11.60930 46.08000       47.27051 0.000000       0.000000 46.08000       47.27051 ?        ?        31.34815 11.60930 ?              ?        
1 1 1 -1  29 24 o 74.69964 5.671290 281.8180       41.15751 276.9000       56.68843 287.3000       59.85127 72.90683 8.079084 74.10020 8.399775 -1.193375      11.65452 
1 1 1 -1  29 25 o 70.01952 5.971524 249.0393       40.53686 266.0000       55.67254 229.9000       59.14001 71.31612 8.119745 65.48491 9.503776 5.831207       12.50008 
1 1 1 -1  29 26 o 68.86650 5.976002 241.3556       39.88491 284.0000       55.46794 195.7000       57.39287 73.79531 7.796789 59.84620 10.16046 13.94912       12.80722 
1 1 1 -1  29 27 o 33.44225 9.713135 61.39454       33.67015 43.59000       45.55574 82.83000       49.98553 30.35625 11.36650 38.19922 11.99976 -7.842976      16.52851 
1 1 1 -1  29 28 o 42.46241 8.602551 97.95413       34.52839 89.81000       46.46212 108.0000       51.60244 39.51803 11.38982 43.05436 11.86505 -3.536335      16.44711 
1 1 1 -1  29 29 o 56.60203 6.809694 167.1469       36.97126 131.6000       48.49096 216.5000       57.13698 48.10149 10.58660 62.75521 9.606923 -14.65372      14.29577 
1 1 1 -1  29 30 o 53.02634 7.218181 148.7142       36.49325 152.8000       49.16245 143.7000       54.46198 52.08340 10.00691 49.47500 11.46991 2.608395       15.22160 
1 1 1 -1  29 31 o 42.96618 8.637466 102.2815       35.06514 139.6000       47.99610 59.56000       51.35314 49.28422 10.28236 32.81582 12.10970 16.46840       15.88621 
1 1 1 -1  29 32 o 50.91147 7.220311 138.4369       34.97326 131.4000       47.20437 147.0000       52.07251 47.53236 10.43264 49.95836 10.95135 -2.426003      15.12521 
1 1 1 -1  29 33 o 40.27038 8.605640 90.84792       32.89215 81.83000       43.64718 102.7000       50.03804 36.89711 11.14746 40.83432 11.83534 -3.937210      16.25857 
1 1 1 -1  29 34 o 45.78572 10.33722 123.3000       45.22694 123.3000       45.22694 0.000000       0.000000 45.78572 10.33722 ?        ?        ?              ?        
1 1 1 -1  29 35 o 70.32002 5.751819 256.6146       39.24484 256.8000       53.57859 256.4000       57.64545 68.45498 8.156369 67.72927 8.911234 0.7257080      12.08042 
1 1 1 -1  29 36 o 32.10598 11.51563 60.77000       45.97923 0.000000       0.000000 60.77000       45.97923 ?        ?        32.10598 11.51563 ?              ?        
1 1 1 -1  29 37 o 34.80265 9.260253 70.84899       32.09619 74.47000       44.30531 66.85000       46.56033 34.67494 11.33881 33.07710 11.61534 1.597847       16.23221 
1 1 1 -1  29 38 o 71.41248 5.758454 266.5500       39.91083 314.9000       56.44244 218.2000       56.44244 75.81503 7.713064 61.14065 9.759168 14.67438       12.43916 
1 1 1 -1  29 39 o 62.32556 6.266520 206.1998       37.71122 242.5000       53.04358 169.1000       53.62460 65.65796 8.449156 52.61144 10.77585 13.04652       13.69332 
1 1 1 -1  29 40 o 24.51761 9.425125 29.99457       31.82486 8.728000       44.97609 51.32000       45.03828 23.26487 10.22734 29.61127 11.25420 -6.346403      15.20709 
1 1 1 -1  29 41 o 48.73880 7.499415 132.1795       34.63218 100.4000       47.96199 166.8000       50.05995 38.98547 11.66466 52.44577 10.11816 -13.46030      15.44155 
1 1 1 -1  29 42 o 30.06614 9.596256 54.60728       31.85482 82.92000       44.36957 24.49000       45.76171 35.61523 11.32077 25.26912 10.70134 10.34611       15.57814 
1 1 1 -1  29 43 o 40.89596 8.577193 97.57781       33.23645 70.92000       45.56124 127.9000       48.59186 32.97765 11.49647 44.53825 11.16787 -11.56060      16.02779 
1 1 1 -1  29 44 o 64.83157 8.902616 244.7000       55.00474 244.7000       55.00474 0.000000       0.000000 64.83157 8.902616 ?        ?        ?              ?        
1 1 1 -1  29 45 o 30.86347 9.658455 58.45723       32.41384 58.13000       45.64890 58.79000       46.03370 30.42738 11.38118 30.54842 11.42852 -0.1210384     16.12893 
1 1 1 -1  29 46 o 31.14387 11.46883 62.40000       46.02104 0.000000       0.000000 62.40000       46.02104 ?        ?        31.14387 11.46883 ?              ?        
1 1 1 -1  29 47 o 19.70245 8.453251 8.260780       29.21795 -9.508000      39.06529 30.82000       44.01739 19.63087 8.996147 25.64025 10.65188 -6.009377      13.94250 
1 1 1 -1  29 48 o 21.90196 8.842589 20.68037       29.26313 24.79000       38.20904 14.85000       45.51058 23.94556 9.933995 23.59538 10.33274 0.3501759      14.33352 
1 1 1 -1  29 49 o 20.97942 8.630988 17.16685       28.51837 -6.878000      37.40676 50.54000       44.06946 19.38182 8.852179 28.48628 11.05339 -9.104462      14.16116 
1 1 1 -1  29 50 o 34.04475 8.989406 71.98447       30.39345 79.99000       40.39569 61.54000       46.14058 34.27306 10.79033 30.07779 11.40048 4.195263       15.69720 
1 1 1 -1  29 51 o 32.22286 9.223223 66.11413       30.56767 54.63000       40.44645 81.41000       46.67868 28.66259 10.71467 33.39772 11.63700 -4.735123      15.81846 
1 1 1 -1  30 1  o 133.5368 3.521481 877.8747       45.98894 941.4000       95.86572 858.8853       52.41381 137.0425 7.171596 131.9554 4.062842 5.087067       8.242479 
1 1 1 -1  30 2  o 66.54946 4.492895 219.5696       29.09538 180.0000       51.73907 237.8703       35.18607 58.95082 9.272345 69.12464 5.239357 -10.17382      10.65022 
1 1 1 -1  30 3  o 168.2280 4.490191 1397.968       73.87214 1454.000       132.1019 1372.474       89.10682 169.9043 7.965429 166.3104 5.481243 3.593933       9.669130 
1 1 1 -1  30 4  o 79.00204 3.555614 307.7431       27.42488 227.7000       55.80587 333.2291       31.48973 66.59422 8.774538 82.14894 3.927539 -15.55473      9.613432 
1 1 1 -1  30 5  o 153.9004 4.255290 1169.337       64.04097 0.000000       0.000000 1169.337       64.04097 ?        ?        153.9004 4.255290 ?              ?        
1 1 1 -1  30 6  f 97.75938 3.792472 471.4638       36.22116 0.000000       0.000000 471.4638       36.22116 ?        ?        97.75938 3.792472 ?              ?        
1 1 1 -1  30 7  o 51.11987 4.322945 129.9017       21.42837 155.6000       50.09881 124.1476       23.70630 54.47003 9.754684 49.85111 4.922455 4.618919       10.92632 
1 1 1 -1  30 8  o 67.22652 4.429327 224.1981       28.98398 286.7000       55.64619 200.9285       33.95336 75.13045 7.674501 63.38293 5.527987 11.74751       9.458151 
1 1 1 -1  30 9  o 134.2737 3.458850 888.1426       45.42211 982.0000       99.28172 863.2963       51.08166 139.6670 7.287424 132.2503 3.950474 7.416718       8.289318 
1 1 1 -1  30 10 o 143.5482 4.167238 1018.200       58.49144 1091.000       106.8353 987.0378       69.89801 147.0802 7.445082 141.0088 5.072481 6.071320       9.008845 
1 1 1 -1  30 11 o 30.29812 7.846547 48.09799       23.45315 80.49000       44.86752 35.91979       27.51089 38.76532 11.19869 27.02130 8.939916 11.74402       14.32944 
1 1 1 -1  30 12 o 73.31273 3.304390 265.1675       23.65153 324.0000       57.49512 253.1839       25.94876 79.83336 7.443452 71.55698 3.717492 8.276375       8.320140 
1 1 1 -1  30 13 o 69.63767 3.848121 240.0964       26.12808 250.1000       54.15260 237.0610       29.82992 69.75895 8.079970 69.06443 4.436026 0.6945190      9.217605 
1 1 1 -1  30 14 o 31.71111 5.083288 51.18632       15.24551 113.6000       45.49729 43.29194       16.18097 45.86631 10.37742 28.93054 5.913850 16.93577       11.94422 
1 1 1 -1  30 15 o 60.38209 3.308466 180.2164       19.47952 162.7000       50.75435 183.2424       21.09506 55.33344 9.725665 60.84187 3.557716 -5.508434      10.35596 
1 1 1 -1  30 16 o 59.05280 3.184875 172.3037       18.34126 238.2000       52.24543 163.0408       19.58798 67.92902 8.011471 57.38090 3.504224 10.54813       8.744327 
1 1 1 -1  30 17 o 74.81706 2.959674 276.0359       21.63182 270.5000       55.51103 277.0271       23.48864 72.39569 7.965017 74.90157 3.211225 -2.505882      8.587984 
1 1 1 -1  30 18 o 78.57056 5.517570 310.1755       42.16422 301.8000       56.99595 320.3000       62.66479 76.56643 7.709868 78.61567 8.267015 -2.049240      11.30423 
1 1 1 -1  30 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  30 20 o 29.82224 10.11653 45.11026       35.20496 54.07000       46.85099 33.49000       53.35544 32.81414 11.64010 30.18009 12.02349 2.634043       16.73489 
1 1 1 -1  30 21 o 81.21315 7.618957 340.6000       59.85863 340.6000       59.85863 0.000000       0.000000 81.21315 7.618957 ?        ?        ?              ?        
1 1 1 -1  30 22 o 52.73536 10.86059 153.8000       54.19338 0.000000       0.000000 153.8000       54.19338 ?        ?        52.73536 10.86059 ?              ?        
1 1 1 -1  30 23 o 66.83837 6.036605 227.3753       39.06818 218.0000       53.03428 238.5000       57.77057 64.16921 8.664735 66.93982 9.048386 -2.770607      12.52801 
1 1 1 -1  30 24 o 25.05924 9.573977 25.85569       32.70176 75.68000       44.25211 -34.09000      48.53917 36.80275 11.24616 20.95196 9.750808 15.85079       14.88470 
1 1 1 -1  30 25 o 48.12896 7.870092 122.7373       35.79576 117.1000       48.63610 129.4000       52.87482 45.47149 11.03955 47.61045 11.48043 -2.138962      15.92708 
1 1 1 -1  30 26 o 67.60212 6.122458 234.2610       40.07401 255.5000       55.04012 210.3000       58.46084 69.38666 8.266308 61.79013 10.00786 7.596531       12.98034 
1 1 1 -1  30 27 o 50.28698 7.742235 134.6634       36.88819 76.77000       48.83307 211.6000       56.29452 36.52218 11.90158 62.06517 9.573968 -25.54300      15.27444 
1 1 1 -1  30 28 o 56.75085 6.922673 169.0298       37.66006 211.5000       51.59488 120.6000       55.09608 62.44208 8.675585 44.76883 12.22932 17.67325       14.99407 
1 1 1 -1  30 29 o 54.65956 7.074604 158.1437       36.96376 131.7000       49.86412 190.4000       55.07238 47.41141 10.96359 57.99227 10.06686 -10.58086      14.88429 
1 1 1 -1  30 30 o 23.64237 9.308703 22.56361       31.63256 22.01000       42.80064 23.23000       46.95827 25.55138 10.54897 26.42189 10.99140 -0.8705044     15.23456 
1 1 1 -1  30 31 o 40.97789 8.429490 93.45947       32.68194 128.1000       45.29790 55.85000       47.19918 46.99342 10.14527 31.64818 11.62145 15.34524       15.42675 
1 1 1 -1  30 32 f 28.53380 10.98794 41.02000       43.30611 41.02000       43.30611 0.000000       0.000000 28.53380 10.98794 ?        ?        ?              ?        
1 1 1 -1  30 33 o 21.04728 9.439504 -5.740000      40.28644 -5.740000      40.28644 0.000000       0.000000 21.04728 9.439504 ?        ?        ?              ?        
1 1 1 -1  30 34 o 25.24888 9.468489 31.55310       31.63700 49.28000       42.92397 10.47000       46.81131 29.83591 11.06021 24.32721 10.56896 5.508701       15.29808 
1 1 1 -1  30 35 o 40.13609 11.98609 102.8000       50.67853 0.000000       0.000000 102.8000       50.67853 ?        ?        40.13609 11.98609 ?              ?        
1 1 1 -1  30 36 o 47.19369 7.672058 122.8284       34.22456 96.17000       46.05695 155.7000       51.14331 39.10101 11.36117 50.81161 10.62531 -11.71061      15.55550 
1 1 1 -1  30 37 o 32.85472 9.496430 64.11752       32.25579 21.63000       43.87319 114.1000       47.58581 25.00087 10.52723 42.56955 11.25176 -17.56868      15.40859 
1 1 1 -1  30 38 o 21.60881 8.922033 15.67551       30.62016 52.00000       42.41507 -23.86000      44.25008 29.75407 11.00093 19.75818 9.233242 9.995890       14.36221 
1 1 1 -1  30 39 o 33.41260 9.396046 67.33861       32.00779 85.09000       44.37689 48.09000       46.21046 36.19658 11.29716 28.99517 11.29961 7.201401       15.97833 
1 1 1 -1  30 40 o 35.77601 9.186338 76.82941       32.33328 96.61000       44.95969 55.64000       46.53322 38.49376 11.23659 30.18270 11.44689 8.311054       16.04033 
1 1 1 -1  30 41 o 17.47829 7.949533 -8.862524      29.76858 12.32000       40.38365 -34.07000      44.05360 22.74787 9.849984 18.67309 8.872741 4.074781       13.25699 
1 1 1 -1  30 42 o 19.31867 8.399885 4.680665       29.61923 21.18000       40.66716 -13.96000      43.22563 23.97077 10.11665 20.21104 9.334734 3.759727       13.76532 
1 1 1 -1  30 43 o 39.60954 11.31872 103.7000       46.07253 103.7000       46.07253 0.000000       0.000000 39.60954 11.31872 ?        ?        ?              ?        
1 1 1 -1  30 44 o 26.93365 9.577903 42.38503       31.73864 12.76000       44.42509 73.27000       45.35994 23.34522 10.21634 33.23901 11.47740 -9.893787      15.36569 
1 1 1 -1  30 45 f 37.46194 11.63270 95.10000       47.11737 0.000000       0.000000 95.10000       47.11737 ?        ?        37.46194 11.63270 ?              ?        
1 1 1 -1  30 46 o 38.66343 8.546102 88.49294       31.48118 106.2000       42.35690 66.64000       47.05503 40.60154 10.55991 31.65300 11.60692 8.948540       15.69179 
1 1 1 -1  30 47 o 21.39586 8.750967 18.39835       29.09922 45.23000       38.00284 -19.63000      45.24244 27.49487 10.36318 19.88944 9.308122 7.605431       13.92970 
1 1 1 -1  30 48 o 15.34549 7.212266 -19.58815      27.66136 -6.645000      36.19171 -37.77000      42.89515 19.10145 8.717667 17.78635 8.533834 1.315098       12.19935 
1 1 1 -1  30 49 o 20.66726 8.577768 16.41522       28.50607 5.947000       36.90444 31.90000       44.88431 20.63657 9.159005 25.26751 10.64415 -4.630934      14.04227 
1 1 1 -1  30 50 o 21.18932 8.684357 19.65840       28.73190 14.87000       37.30569 26.64000       45.04612 21.75906 9.444275 24.34353 10.47103 -2.584471      14.10095 
1 1 1 -1  31 1  o 173.0773 4.601060 1483.195       77.87875 1486.000       135.7295 1481.818       95.08887 171.1687 8.124282 172.4984 5.639264 -1.329742      9.889654 
1 1 1 -1  31 2  o 153.9359 4.313941 1171.877       64.93694 1079.000       109.6389 1222.063       80.59368 146.0579 7.696066 156.8073 5.258273 -10.74940      9.320884 
1 1 1 -1  31 3  o 169.8294 3.897823 1422.879       64.79497 1433.000       131.8565 1419.657       74.39735 168.1023 8.036766 169.3590 4.491865 -1.256653      9.206870 
1 1 1 -1  31 4  o 130.7491 3.990996 844.5703       51.01730 0.000000       0.000000 844.5703       51.01730 ?        ?        130.7491 3.990996 ?              ?        
1 1 1 -1  31 5  o 80.99488 3.965073 324.5759       31.33957 0.000000       0.000000 324.5759       31.33957 ?        ?        80.99488 3.965073 ?              ?        
1 1 1 -1  31 6  o 89.71195 3.368256 396.9337       29.52498 323.0000       61.52356 419.0555       33.65343 79.46568 8.019208 92.09987 3.740837 -12.63419      8.848817 
1 1 1 -1  31 7  o 45.26373 4.640815 102.5265       20.27047 104.7000       47.20276 102.0351       22.44547 43.93446 11.00178 45.03171 5.186822 -1.097256      12.16315 
1 1 1 -1  31 8  o 119.4702 3.345449 703.7001       39.08340 822.4000       87.67522 674.2630       43.66152 127.5951 7.047366 116.8113 3.823785 10.78378       8.017899 
1 1 1 -1  31 9  o 75.27862 3.414912 279.8863       25.09718 304.4000       58.58092 274.3755       27.77526 77.05972 7.877147 74.44630 3.824431 2.613426       8.756467 
1 1 1 -1  31 10 o 61.43245 3.702086 186.9587       22.15800 246.5000       53.99884 174.9032       24.29787 69.12329 8.136615 59.30442 4.213202 9.818874       9.162727 
1 1 1 -1  31 11 o 75.86139 5.378673 288.2889       39.68046 312.6000       58.29493 267.3000       54.16560 78.08590 7.728226 72.12632 7.796013 5.959579       10.97740 
1 1 1 -1  31 12 o 16.69252 6.859345 5.182453       17.98504 0.000000       0.000000 5.182453       17.98504 ?        ?        16.69252 6.859345 ?              ?        
1 1 1 -1  31 13 o 58.99568 4.066501 173.0602       23.33900 262.2000       52.67421 151.2852       26.03402 71.41397 7.654742 54.94212 4.892045 16.47185       9.084448 
1 1 1 -1  31 14 o 35.88012 4.628549 64.96574       15.87736 161.5000       46.95560 52.50357       16.87111 55.29803 8.983045 31.96437 5.596039 23.33366       10.58351 
1 1 1 -1  31 15 o 103.1387 3.146585 524.8971       31.72920 553.1000       71.66891 518.0217       35.38597 104.1911 7.069247 102.3504 3.537436 1.840744       7.904917 
1 1 1 -1  31 16 o 41.30153 3.745503 85.04833       14.97750 171.0000       47.30054 75.47009       15.78999 56.91603 8.771761 38.78491 4.227582 18.13113       9.737363 
1 1 1 -1  31 17 o 15.55825 5.515866 10.63130       10.51913 0.000000       0.000000 10.63130       10.51913 ?        ?        15.55825 5.515866 ?              ?        
1 1 1 -1  31 18 o 44.97918 10.81609 112.3000       47.03297 112.3000       47.03297 0.000000       0.000000 44.97918 10.81609 ?        ?        ?              ?        
1 1 1 -1  31 19 o 63.12227 6.316553 203.3297       38.50365 202.6000       52.20604 204.2000       57.01612 61.82122 8.882029 61.58564 9.785223 0.2355843      13.21518 
1 1 1 -1  31 20 o 64.82316 9.598145 225.7000       59.06306 0.000000       0.000000 225.7000       59.06306 ?        ?        64.82316 9.598145 ?              ?        
1 1 1 -1  31 21 o 62.55303 9.775340 211.9000       57.89563 0.000000       0.000000 211.9000       57.89563 ?        ?        62.55303 9.775340 ?              ?        
1 1 1 -1  31 22 o 99.65953 7.312674 513.3000       70.83813 513.3000       70.83813 0.000000       0.000000 99.65953 7.312674 ?        ?        ?              ?        
1 1 1 -1  31 23 f 91.13712 7.350031 430.8000       65.01209 430.8000       65.01209 0.000000       0.000000 91.13712 7.350031 ?        ?        ?              ?        
1 1 1 -1  31 24 o 59.52646 6.591581 183.4821       37.76379 141.9000       50.72194 235.2000       56.56702 50.10562 10.66929 66.04131 8.983350 -15.93569      13.94756 
1 1 1 -1  31 25 o 29.13909 9.871142 45.08117       33.51694 66.65000       45.02727 18.28000       50.19254 34.38744 11.43919 26.75961 11.26338 7.627831       16.05362 
1 1 1 -1  31 26 o 29.02557 9.939695 44.99448       33.99794 28.26000       45.50388 66.14000       51.15070 27.25397 11.01831 34.26486 12.16174 -7.010891      16.41070 
1 1 1 -1  31 27 o 100.9842 5.315926 519.5051       52.36081 507.9000       72.17401 532.4000       76.07896 97.88473 7.592173 99.98079 7.836529 -2.096062      10.91111 
1 1 1 -1  31 28 o 25.98604 9.591255 33.39326       32.21717 19.75000       42.77439 51.28000       48.97680 25.19549 10.48651 31.06420 11.75218 -5.868717      15.75057 
1 1 1 -1  31 29 o 40.08778 8.658206 90.10471       32.97901 64.03000       44.03822 123.4000       49.76356 33.11815 11.31334 45.27076 11.27339 -12.15261      15.97126 
1 1 1 -1  31 30 o 22.02321 9.030585 15.29779       31.08800 -53.03000      41.66652 101.1000       46.69149 17.08388 8.250662 40.71338 11.31195 -23.62950      14.00120 
1 1 1 -1  31 31 o 35.49802 11.47950 76.97000       45.47988 76.97000       45.47988 0.000000       0.000000 35.49802 11.47950 ?        ?        ?              ?        
1 1 1 -1  31 32 o 27.95701 9.680553 43.29705       32.27814 69.80000       44.13501 12.82000       47.32848 33.93243 11.32620 24.71195 10.68188 9.220482       15.56873 
1 1 1 -1  31 33 o 47.80436 11.02114 139.2000       50.51477 0.000000       0.000000 139.2000       50.51477 ?        ?        47.80436 11.02114 ?              ?        
1 1 1 -1  31 34 o 21.25232 9.089479 8.822615       33.58617 10.32000       49.04202 7.500000       46.09124 24.48198 10.72343 23.62272 10.37001 0.8592606      14.91741 
1 1 1 -1  31 35 o 38.27618 9.076530 85.57376       33.48689 108.9000       45.48975 57.98000       49.47624 41.80795 10.97782 31.26989 11.81600 10.53806       16.12856 
1 1 1 -1  31 36 o 38.35278 8.966572 85.86476       33.05525 67.13000       45.15324 107.5000       48.52278 32.81226 11.44449 40.89056 11.59310 -8.078293      16.29037 
1 1 1 -1  31 37 o 17.74351 8.041464 -8.219330      30.12980 -2.687000      40.36491 -15.18000      45.27678 20.98625 9.427476 20.72624 9.565902 0.2600117      13.43070 
1 1 1 -1  31 38 o 35.35151 9.100615 74.69316       31.67713 55.10000       42.20486 99.97000       47.93708 30.04645 10.99657 38.81919 11.67239 -8.772736      16.03650 
1 1 1 -1  31 39 o 27.30627 9.487391 43.65616       31.01493 37.65000       41.53007 51.23000       46.63611 26.71500 10.61927 29.32617 11.37308 -2.611168      15.56008 
1 1 1 -1  31 40 o 29.03690 9.581532 50.68019       31.60806 32.74000       42.86042 72.07000       46.80006 26.06846 10.63628 33.12687 11.64422 -7.058413      15.77080 
1 1 1 -1  31 41 o 37.93661 9.090842 86.51292       33.31583 124.7000       45.87602 43.90000       48.46164 44.23243 10.71116 28.12686 11.37093 16.10558       15.62136 
1 1 1 -1  31 42 o 25.54262 10.51366 30.83000       42.34486 30.83000       42.34486 0.000000       0.000000 25.54262 10.51366 ?        ?        ?              ?        
1 1 1 -1  31 43 o 50.88390 10.58084 163.1000       50.97932 0.000000       0.000000 163.1000       50.97932 ?        ?        50.88390 10.58084 ?              ?        
1 1 1 -1  31 44 o 26.03025 9.455860 38.98410       31.12295 12.72000       42.32330 69.91000       45.92610 22.89217 9.995906 32.36830 11.52029 -9.476130      15.25238 
1 1 1 -1  31 45 o 24.92154 9.239970 34.70526       29.96033 50.60000       39.73412 13.76000       45.61206 28.62556 10.63572 23.45405 10.30532 5.171505       14.80939 
1 1 1 -1  31 46 o 27.05910 9.333987 44.16420       29.99706 50.38000       39.23597 35.42000       46.53675 28.44569 10.56885 26.30905 10.94300 2.136642       15.21347 
1 1 1 -1  31 47 o 31.57661 9.107776 62.05169       29.69870 44.00000       38.76268 87.71000       46.21351 27.01222 10.39725 35.26281 11.58323 -8.250582      15.56516 
1 1 1 -1  31 48 f 28.25710 9.182698 50.14689       29.08071 69.48000       38.02009 22.89000       45.14404 32.05753 10.50503 24.00857 10.40507 8.048952       14.78584 
1 1 1 -1  32 1  o 104.3990 3.400928 537.9800       34.70726 528.6000       72.72998 540.7460       39.49433 101.9237 7.339215 104.5382 3.866363 -2.614441      8.295351 
1 1 1 -1  32 2  o 149.0626 3.665111 1096.972       53.47639 1153.000       111.7873 1080.345       60.89630 150.5047 7.612879 147.6634 4.217518 2.841248       8.703068 
1 1 1 -1  32 3  o 112.7170 4.774803 632.1622       52.56129 0.000000       0.000000 632.1622       52.56129 ?        ?        112.7170 4.774803 ?              ?        
1 1 1 -1  32 4  f 50.69241 4.477721 128.3764       21.98986 152.1000       50.21011 122.7462       24.46046 53.30362 9.990367 49.40121 5.133245 3.902405       11.23199 
1 1 1 -1  32 5  o 124.9496 3.427205 770.6309       41.87655 771.0000       87.82582 770.5223       47.64089 123.1425 7.319340 124.7832 3.905284 -1.640701      8.296022 
1 1 1 -1  32 6  o 91.22511 3.343830 410.8924       29.80776 434.7000       65.96409 404.7836       33.41379 92.31620 7.360932 90.43263 3.783159 1.883568       8.276208 
1 1 1 -1  32 7  o 141.3513 3.556319 986.9294       49.16563 1108.000       107.4952 954.9026       55.28739 147.5057 7.469471 138.8386 4.072670 8.667084       8.507623 
1 1 1 -1  32 8  o 79.64056 3.406842 313.4908       26.49646 361.8000       61.04860 302.2783       29.41104 84.05023 7.499139 78.09190 3.859632 5.958336       8.434088 
1 1 1 -1  32 9  o 82.19784 4.145308 335.5419       33.24445 446.9000       64.38798 295.0659       38.81889 93.66129 7.075585 76.74431 5.198298 16.91698       8.779875 
1 1 1 -1  32 10 o 37.41654 5.254819 71.16107       18.71577 80.20000       45.26416 69.29705       20.55517 38.25544 11.30383 36.73731 5.917151 1.518135       12.75889 
1 1 1 -1  32 11 o 113.4253 3.305375 635.3427       36.65840 678.0000       78.88557 623.5938       41.40010 115.3933 7.017275 112.2179 3.774430 3.175392       7.967965 
1 1 1 -1  32 12 o 68.55836 4.284315 234.1619       28.60696 204.6000       52.18111 246.8645       34.20530 62.32299 8.798255 70.17616 5.012644 -7.853168      10.12600 
1 1 1 -1  32 13 o 59.56244 3.535683 175.9432       20.52076 263.1000       52.09268 159.9340       22.32601 71.37419 7.571773 56.65917 4.052394 14.71502       8.587994 
1 1 1 -1  32 14 o 108.2756 3.774220 581.1104       39.93919 609.0000       74.67142 569.9345       47.26883 109.1768 7.024717 106.9327 4.526281 2.244072       8.356666 
1 1 1 -1  32 15 o 57.87274 3.370596 166.0212       19.01093 283.9000       51.64041 147.5408       20.44691 74.26759 7.193664 54.43468 3.862566 19.83292       8.165060 
1 1 1 -1  32 16 o 104.6120 3.451475 541.6220       35.29371 573.3000       72.02907 531.6134       40.48713 105.8399 6.991849 103.4403 4.006295 2.399559       8.058310 
1 1 1 -1  32 17 o 25.92026 4.971462 34.65974       12.15459 16.84000       41.77934 36.30739       12.70409 25.36111 10.44152 26.51893 5.079070 -1.157824      11.61130 
1 1 1 -1  32 18 o 56.46003 6.546452 164.0592       35.50896 151.7000       47.71496 179.4000       53.15961 52.85223 9.575757 57.44797 9.805323 -4.595737      13.70545 
1 1 1 -1  32 19 o 59.58860 9.488756 192.1000       53.49082 0.000000       0.000000 192.1000       53.49082 ?        ?        59.58860 9.488756 ?              ?        
1 1 1 -1  32 20 o 53.18907 6.975354 147.1863       35.44141 151.2000       47.61507 142.2000       53.07108 52.61438 9.599157 50.15025 11.10461 2.464123       14.67843 
1 1 1 -1  32 21 o 34.13877 9.459046 64.46545       32.69772 92.70000       42.82558 25.00000       50.63157 40.42366 10.66926 27.96789 11.50257 12.45578       15.68892 
1 1 1 -1  32 22 o 29.37086 9.807695 45.97202       33.09338 43.06000       44.37788 49.62000       49.67024 29.82397 11.20783 31.53608 11.85602 -1.712118      16.31505 
1 1 1 -1  32 23 o 72.80032 8.751606 286.1000       61.11401 0.000000       0.000000 286.1000       61.11401 ?        ?        72.80032 8.751606 ?              ?        
1 1 1 -1  32 24 f 32.39879 11.54032 57.76000       46.09467 57.76000       46.09467 0.000000       0.000000 32.39879 11.54032 ?        ?        ?              ?        
1 1 1 -1  32 25 o 91.25998 7.529378 441.8000       66.66042 441.8000       66.66042 0.000000       0.000000 91.25998 7.529378 ?        ?        ?              ?        
1 1 1 -1  32 26 o 48.81899 7.807246 129.3793       36.05080 98.34000       48.01188 169.5000       54.58545 40.23495 11.57260 53.85492 10.73184 -13.61996      15.78282 
1 1 1 -1  32 27 o 72.49777 5.718043 271.4488       40.24857 265.8000       54.54712 278.2000       59.63236 69.94012 8.118475 71.00498 8.765924 -1.064857      11.94785 
1 1 1 -1  32 28 o 47.85213 7.609016 124.5223       34.44791 126.4000       46.32600 122.2000       51.52034 46.25452 10.47610 44.52466 11.67884 1.729862       15.68897 
1 1 1 -1  32 29 o 67.37730 5.982731 236.7884       39.04678 257.1000       53.06236 212.8000       57.66533 68.57958 8.058286 60.63389 10.06916 7.945694       12.89666 
1 1 1 -1  32 30 o 29.27471 11.01399 46.55000       42.88277 46.55000       42.88277 0.000000       0.000000 29.27471 11.01399 ?        ?        ?              ?        
1 1 1 -1  32 31 o 66.07734 6.026806 228.7585       38.55177 182.7000       52.01492 284.9000       57.42679 56.08953 9.832401 71.75811 8.330574 -15.66858      12.88699 
1 1 1 -1  32 32 o 46.87844 10.93155 134.6000       49.23377 0.000000       0.000000 134.6000       49.23377 ?        ?        46.87844 10.93155 ?              ?        
1 1 1 -1  32 33 f 32.53269 9.500896 62.70263       32.13625 38.50000       44.39686 89.34000       46.57648 27.70156 10.98993 37.44105 11.55558 -9.739485      15.94710 
1 1 1 -1  32 34 o 33.02749 9.520810 65.14272       32.46212 14.14000       43.88031 126.8000       48.24643 23.89942 10.30781 45.04913 11.03108 -21.14971      15.09754 
1 1 1 -1  32 35 o 53.67709 6.914246 156.6202       35.48499 123.0000       47.90362 197.5000       52.82297 44.07970 11.10848 57.82392 9.674212 -13.74421      14.73053 
1 1 1 -1  32 36 o 25.54319 9.453943 35.54383       31.33930 63.95000       42.69510 2.359000       46.14680 31.79603 11.12597 22.60721 10.12371 9.188814       15.04249 
1 1 1 -1  32 37 o 55.84811 6.606902 169.1586       35.41848 201.5000       48.49970 132.2000       51.84620 59.09663 8.639647 44.70743 11.71036 14.38920       14.55252 
1 1 1 -1  32 38 o 24.19024 9.255995 30.15150       30.59599 12.68000       40.52591 53.31000       46.65765 22.73940 9.856752 29.62395 11.40587 -6.884541      15.07479 
1 1 1 -1  32 39 o 41.94388 8.192264 101.4019       32.42710 95.01000       43.25932 109.6000       48.99144 38.23068 10.98142 40.41270 11.71025 -2.182022      16.05371 
1 1 1 -1  32 40 o 38.53078 11.06030 97.49000       43.89689 97.49000       43.89689 0.000000       0.000000 38.53078 11.06030 ?        ?        ?              ?        
1 1 1 -1  32 41 o 22.63558 9.108997 22.74415       30.94246 -4.226000      41.65424 55.95000       46.21946 20.77974 9.432405 29.86412 11.38876 -9.084381      14.78763 
1 1 1 -1  32 42 o 29.66012 11.47338 54.85000       47.37182 0.000000       0.000000 54.85000       47.37182 ?        ?        29.66012 11.47338 ?              ?        
1 1 1 -1  32 43 o 31.10174 9.521751 60.14502       31.70290 34.09000       42.50605 92.81000       47.59335 25.87965 10.57967 36.62428 11.73396 -10.74462      15.79922 
1 1 1 -1  32 44 o 40.42781 8.412794 96.36320       32.20613 134.1000       43.14388 48.87000       48.40077 46.55686 9.778964 28.53433 11.42354 18.02253       15.03746 
1 1 1 -1  32 45 o 21.22302 8.704363 18.19085       28.89049 -0.5018000     37.44636 45.68000       45.41035 20.11442 9.054288 27.68934 11.07185 -7.574915      14.30266 
1 1 1 -1  32 46 o 30.06308 9.351800 56.99735       30.43664 42.03000       39.54503 78.75000       47.67333 26.60097 10.42774 33.19322 11.74495 -6.592257      15.70610 
1 1 1 -1  32 47 o 20.35579 8.548542 14.90412       28.80972 -22.44000      36.99745 72.43000       45.91899 17.46445 8.248841 31.75161 11.49256 -14.28715      14.14646 
1 1 1 -1  33 1  o 25.15831 8.392332 31.37443       24.23212 9.494000       45.66999 39.94810       28.58817 25.31945 10.70512 27.96585 9.105794 -2.646400      14.05400 
1 1 1 -1  33 2  o 64.30100 4.455482 206.3236       27.86920 0.000000       0.000000 206.3236       27.86920 ?        ?        64.30100 4.455482 ?              ?        
1 1 1 -1  33 3  o 77.60918 3.595603 298.3044       27.24013 284.8000       58.27911 302.0795       30.81318 74.04176 8.177451 77.97653 4.050961 -3.934776      9.125842 
1 1 1 -1  33 4  o 45.14535 5.028833 102.8582       21.84537 163.7000       50.00173 88.50549       24.28575 55.28060 9.588150 41.51474 6.163239 13.76586       11.39816 
1 1 1 -1  33 5  o 66.38013 3.757487 218.6863       24.31446 216.3000       54.65274 219.2751       27.14925 64.01241 8.968225 66.35511 4.201585 -2.342697      9.903655 
1 1 1 -1  33 6  o 63.42921 3.845951 199.8947       23.76587 186.7000       53.09767 203.2003       26.57662 59.12058 9.497050 63.84119 4.277658 -4.720608      10.41596 
1 1 1 -1  33 7  o 32.67835 6.410518 55.67899       19.77216 -15.37000      46.27092 71.55032       21.86934 22.35246 10.06298 37.20950 6.224144 -14.85704      11.83230 
1 1 1 -1  33 8  o 77.58507 3.403072 297.9062       25.78088 304.6000       58.10353 296.2654       28.76777 76.66661 7.853530 77.26069 3.815813 -0.5940781     8.731459 
1 1 1 -1  33 9  o 69.43880 3.521923 238.9829       23.85985 235.0000       53.36558 239.9780       26.67446 66.99238 8.316740 69.47485 3.938622 -2.482475      9.202223 
1 1 1 -1  33 10 o 89.62347 3.329936 397.3093       29.16138 366.6000       61.98183 406.0394       33.04745 84.23647 7.598848 90.48003 3.739521 -6.243568      8.469151 
1 1 1 -1  33 11 o 55.30246 3.928724 152.3821       21.12833 284.7000       52.99781 127.3785       23.03827 74.24506 7.390681 50.32893 4.732077 23.91613       8.775803 
1 1 1 -1  33 12 o 26.35026 8.049605 36.28075       22.67349 97.18000       44.50451 14.93323       26.34946 41.72853 10.80992 21.41488 8.475848 20.31366       13.73661 
1 1 1 -1  33 13 o 48.29124 3.867881 116.3492       18.13027 283.2000       51.70951 92.96278       19.35922 74.07950 7.222888 42.92999 4.682864 31.14951       8.608096 
1 1 1 -1  33 14 o 48.65624 4.345222 118.7519       20.47703 160.4000       48.06978 109.5188       22.63330 54.51783 9.344051 46.51063 5.052615 8.007195       10.62263 
1 1 1 -1  33 15 o 79.30819 3.451943 311.8870       26.73293 327.0000       57.82593 307.7791       30.14798 79.32611 7.537796 78.63233 3.929427 0.6937790      8.500515 
1 1 1 -1  33 16 o 16.96003 6.146256 12.37964       13.13872 0.000000       0.000000 12.37964       13.13872 ?        ?        16.96003 6.146256 ?              ?        
1 1 1 -1  33 17 o 40.92939 3.582749 83.65099       14.20892 141.7000       47.20695 77.86806       14.89988 50.72536 9.862957 39.40120 3.915115 11.32415       10.61160 
1 1 1 -1  33 18 o 31.00309 11.66736 46.52000       48.12846 0.000000       0.000000 46.52000       48.12846 ?        ?        31.00309 11.66736 ?              ?        
1 1 1 -1  33 19 o 33.82589 9.397027 63.59488       32.22376 33.29000       42.03217 106.8000       50.18723 27.77653 10.79018 42.75435 11.66887 -14.97782      15.89310 
1 1 1 -1  33 20 o 52.43305 7.104744 144.6694       35.52630 137.2000       46.63330 155.0000       54.84266 49.45045 9.978760 51.86852 11.13505 -2.418072      14.95209 
1 1 1 -1  33 21 o 61.44437 6.410058 196.1065       37.98598 160.6000       50.35359 243.0000       57.86731 53.41957 9.997316 66.63650 9.110148 -13.21692      13.52557 
1 1 1 -1  33 22 o 61.19609 6.503900 195.4247       38.36264 212.2000       52.30814 175.9000       56.43222 62.25497 8.831554 55.15808 10.83902 7.096882       13.98144 
1 1 1 -1  33 23 o 32.89521 9.785142 61.95159       33.82740 93.96000       45.65758 23.00000       50.36669 39.61075 11.25078 26.95762 11.31087 12.65313       15.95355 
1 1 1 -1  33 24 o 50.66722 7.311966 137.8104       35.21535 141.7000       47.14252 132.9000       52.96922 49.55108 10.06359 46.75859 11.62329 2.792488       15.37455 
1 1 1 -1  33 25 o 39.54819 11.99548 97.12000       50.47102 0.000000       0.000000 97.12000       50.47102 ?        ?        39.54819 11.99548 ?              ?        
1 1 1 -1  33 26 o 84.21609 7.592824 381.7000       61.91850 381.7000       61.91850 0.000000       0.000000 84.21609 7.592824 ?        ?        ?              ?        
1 1 1 -1  33 27 o 29.16885 11.11412 45.04000       43.99335 45.04000       43.99335 0.000000       0.000000 29.16885 11.11412 ?        ?        ?              ?        
1 1 1 -1  33 28 o 60.16443 9.033774 204.7000       51.55879 204.7000       51.55879 0.000000       0.000000 60.16443 9.033774 ?        ?        ?              ?        
1 1 1 -1  33 29 o 28.35623 10.95529 41.79000       43.15046 41.79000       43.15046 0.000000       0.000000 28.35623 10.95529 ?        ?        ?              ?        
1 1 1 -1  33 30 o 65.14957 6.040903 223.1205       38.08422 212.8000       51.96101 235.1000       55.98192 61.24949 8.929620 64.18327 9.171325 -2.933777      12.80044 
1 1 1 -1  33 31 o 26.31643 10.92695 28.27000       46.28502 0.000000       0.000000 28.27000       46.28502 ?        ?        26.31643 10.92695 ?              ?        
1 1 1 -1  33 32 o 62.46955 6.199870 207.1334       37.41059 203.3000       50.73877 211.7000       55.37831 59.48077 8.995466 59.94809 9.773967 -0.4673233     13.28340 
1 1 1 -1  33 33 o 22.27722 9.075818 18.84703       31.15045 59.54000       42.62447 -27.80000      45.63638 31.19546 11.09892 19.71529 9.265346 11.48017       14.45796 
1 1 1 -1  33 34 o 27.09087 9.597049 42.10546       31.83872 1.653000       42.83591 92.04000       47.59223 21.93402 9.792840 37.27441 11.70892 -15.34040      15.26429 
1 1 1 -1  33 35 o 33.75265 9.328269 69.08136       31.84479 55.54000       42.75694 85.95000       47.72165 30.02515 11.05501 35.79217 11.77142 -5.767021      16.14867 
1 1 1 -1  33 36 o 46.16928 7.812202 120.9651       34.04680 139.9000       46.41044 98.90000       50.09984 47.42160 10.29437 37.94581 12.02578 9.475788       15.83014 
1 1 1 -1  33 37 o 20.35684 8.641622 10.68067       29.96156 9.609000       39.75309 12.09000       45.58773 22.17071 9.684121 23.48798 10.31197 -1.317276      14.14634 
1 1 1 -1  33 38 o 25.26055 9.326610 35.54500       30.46821 15.26000       40.65015 61.55000       46.02599 23.00464 9.921525 30.88671 11.45231 -7.882065      15.15229 
1 1 1 -1  33 39 o 23.62408 10.07479 19.44000       41.04996 19.44000       41.04996 0.000000       0.000000 23.62408 10.07479 ?        ?        ?              ?        
1 1 1 -1  33 40 o 30.11004 9.634580 56.06703       32.09415 34.31000       43.59955 81.80000       47.41625 26.10421 10.69818 34.56193 11.74049 -8.457720      15.88364 
1 1 1 -1  33 41 o 34.25463 11.73163 80.50000       47.36152 0.000000       0.000000 80.50000       47.36152 ?        ?        34.25463 11.73163 ?              ?        
1 1 1 -1  33 42 o 24.57177 9.223083 33.36596       30.03299 73.80000       40.19291 -17.75000      45.19122 33.37918 10.79143 20.02139 9.347912 13.35779       14.27720 
1 1 1 -1  33 43 o 44.71771 7.651851 114.2884       32.28959 127.8000       42.45612 95.75000       49.73058 45.26342 9.862147 36.75046 12.01271 8.512955       15.54243 
1 1 1 -1  33 44 o 14.49139 6.925063 -27.63472      27.63316 -30.02000      35.24640 -23.83000      44.51493 16.49722 7.866312 19.21544 9.067463 -2.718216      12.00407 
1 1 1 -1  33 45 o 22.49829 8.885562 25.54497       28.90156 5.341000       37.07980 56.82000       46.13367 20.57817 9.154139 29.16158 11.31099 -8.583416      14.55118 
1 1 1 -1  33 46 o 16.96031 7.712618 -5.625992      28.00571 -51.35000      36.40862 60.63000       43.82729 15.02741 7.358474 29.57812 11.13323 -14.55071      13.34526 
1 1 1 -1  34 1  o 83.05014 4.061487 343.1532       32.91642 0.000000       0.000000 343.1532       32.91642 ?        ?        83.05014 4.061487 ?              ?        
1 1 1 -1  34 2  o 137.0540 4.151822 933.8240       55.63340 1024.000       101.0183 894.5671       66.65189 141.2372 7.332194 133.6084 5.105902 7.628830       8.934837 
1 1 1 -1  34 3  o 57.44257 5.002775 166.1511       27.84848 234.1000       54.24044 141.8274       32.45238 66.66824 8.505265 52.54568 6.444389 14.12256       10.67097 
1 1 1 -1  34 4  o 70.20766 3.694199 244.7531       25.29764 320.7000       57.80335 226.7601       28.13521 78.68436 7.599596 67.40147 4.286777 11.28289       8.725269 
1 1 1 -1  34 5  o 54.26950 4.223020 147.2318       22.25643 93.00000       49.07090 161.2774       24.97278 40.57037 11.70891 56.72471 4.535431 -16.15434      12.55662 
1 1 1 -1  34 6  o 69.41465 3.684465 239.2927       24.94442 209.7000       55.14734 246.9046       27.96917 62.60059 9.280578 70.39971 4.076278 -7.799118      10.13633 
1 1 1 -1  34 7  o 70.86806 3.597138 249.2529       24.87087 223.5000       53.85452 256.2343       28.04008 64.96979 8.685871 71.73676 4.009245 -6.766968      9.566525 
1 1 1 -1  34 8  o 17.72741 6.903731 10.64002       17.24024 -7.941000      41.92124 14.42231       18.91370 21.94791 9.750195 19.26591 7.299864 2.682009       12.18008 
1 1 1 -1  34 9  o 55.27084 4.994395 154.1205       26.72873 149.3000       47.94699 156.2940       32.19550 52.33873 9.716690 55.28481 6.048109 -2.946079      11.44525 
1 1 1 -1  34 10 o 23.21243 6.957298 28.01129       17.05103 57.17000       43.10157 22.60128       18.56556 32.79009 11.19259 21.58079 7.346195 11.20930       13.38808 
1 1 1 -1  34 11 o 25.04774 6.861043 33.15944       17.31438 131.0000       45.50079 16.59302       18.72293 48.78237 9.868417 19.79132 7.310482 28.99105       12.28124 
1 1 1 -1  34 12 o 16.65969 6.685996 7.574538       16.62230 78.26000       44.14157 -4.105114      17.94311 37.24126 11.20141 14.57422 6.431273 22.66704       12.91638 
1 1 1 -1  34 13 o 82.49323 4.693362 341.5163       37.74097 393.1000       60.35783 308.4000       48.36137 87.15008 7.138028 77.53892 6.429717 9.611160       9.606909 
1 1 1 -1  34 14 o 62.83086 3.644065 196.5155       22.31504 168.4000       50.02151 203.5011       24.93361 55.49734 9.552832 63.82901 4.011087 -8.331676      10.36076 
1 1 1 -1  34 15 o 56.90929 6.420929 167.4656       35.14365 145.4000       48.07077 192.8000       51.50837 51.13776 9.961861 59.60355 9.118178 -8.465794      13.50481 
1 1 1 -1  34 16 o 50.18977 10.64076 143.2000       50.65065 0.000000       0.000000 143.2000       50.65065 ?        ?        50.18977 10.64076 ?              ?        
1 1 1 -1  34 17 o 39.20656 4.086964 77.52548       15.45431 0.000000       0.000000 77.52548       15.45431 ?        ?        39.20656 4.086964 ?              ?        
1 1 1 -1  34 18 o 58.34872 6.734485 178.1399       37.75795 127.4000       49.08208 251.7000       59.09748 46.83479 10.91010 67.78111 9.140197 -20.94632      14.23283 
1 1 1 -1  34 19 o 30.59324 9.785007 52.18519       33.10685 59.85000       43.33488 41.44000       51.30906 32.58324 11.21967 29.92398 11.83263 2.659260       16.30620 
1 1 1 -1  34 20 f 21.55350 9.001187 11.09650       31.67204 -12.65000      41.40432 44.59000       49.17293 20.74339 9.411221 30.03353 11.66973 -9.290140      14.99179 
1 1 1 -1  34 21 o 32.25064 9.562212 59.61880       32.34558 100.7000       43.10905 6.697000       48.92877 41.23087 10.61774 24.51864 10.72597 16.71223       15.09248 
1 1 1 -1  34 22 o 46.99562 7.470039 119.5233       33.21393 148.4000       45.00698 84.99000       49.21819 51.20345 9.323339 37.17688 11.93473 14.02657       15.14471 
1 1 1 -1  34 23 o 41.98753 8.130535 97.72323       32.20781 63.98000       42.73310 142.1000       49.00597 32.92500 11.14601 49.08424 10.51650 -16.15924      15.32417 
1 1 1 -1  34 24 o 85.62673 5.246676 376.4369       43.76326 346.9000       58.38906 414.3000       66.10850 80.25147 7.520764 87.44389 7.805614 -7.192413      10.83926 
1 1 1 -1  34 25 o 28.08445 9.537284 44.09015       31.28967 19.87000       40.55329 79.72000       49.18637 24.48879 10.20296 35.74456 11.95729 -11.25578      15.71869 
1 1 1 -1  34 26 o 61.22677 6.284594 197.8835       37.12980 251.3000       51.42270 139.7000       53.66817 67.69754 7.909114 47.25069 11.67297 20.44685       14.10008 
1 1 1 -1  34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  34 28 o 33.71378 11.36557 70.44000       44.43239 70.44000       44.43239 0.000000       0.000000 33.71378 11.36557 ?        ?        ?              ?        
1 1 1 -1  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  34 30 o 67.66085 9.011300 262.8000       58.19783 0.000000       0.000000 262.8000       58.19783 ?        ?        67.66085 9.011300 ?              ?        
1 1 1 -1  34 31 o 26.32470 9.562685 38.16944       31.82997 26.46000       42.26678 53.51000       48.37843 25.30948 10.46928 30.20223 11.61799 -4.892754      15.63916 
1 1 1 -1  34 32 o 40.92669 8.623005 97.42867       33.45200 125.3000       45.97765 66.08000       48.76155 44.75329 10.65058 32.15129 11.81122 12.60200       15.90408 
1 1 1 -1  34 33 o 28.95764 9.643186 50.55662       31.99648 50.78000       43.37637 50.29000       47.38917 29.10804 11.04890 29.17865 11.42200 -0.7061195E-01 15.89151 
1 1 1 -1  34 34 o 30.16721 9.511279 55.55391       31.37593 22.96000       41.87191 97.29000       47.38167 24.34888 10.27025 37.98597 11.64264 -13.63710      15.52511 
1 1 1 -1  34 35 o 25.23799 9.352287 35.25392       30.68565 9.714000       40.87915 68.22000       46.44359 22.33299 9.786053 32.16362 11.56903 -9.830633      15.15287 
1 1 1 -1  34 36 o 35.16561 9.133285 74.89754       31.71490 107.9000       43.29978 36.70000       46.58329 40.99828 10.68361 26.86002 11.03856 14.13826       15.36195 
1 1 1 -1  34 37 o 17.77450 8.028875 -5.579376      29.74135 -5.480000      39.66497 -5.707000      44.95037 20.19470 9.181597 21.24469 9.703302 -1.049988      13.35874 
1 1 1 -1  34 38 o 22.62954 9.866739 12.64000       41.10669 12.64000       41.10669 0.000000       0.000000 22.62954 9.866739 ?        ?        ?              ?        
1 1 1 -1  34 39 o 29.41305 9.519011 53.35353       31.26845 21.93000       41.63630 94.00000       47.35394 23.96385 10.18050 36.92066 11.69043 -12.95681      15.50189 
1 1 1 -1  34 40 o 38.71462 11.77026 104.0000       48.55466 0.000000       0.000000 104.0000       48.55466 ?        ?        38.71462 11.77026 ?              ?        
1 1 1 -1  34 41 o 32.03981 9.204503 63.61387       30.39016 82.62000       39.63829 36.51000       47.33514 35.36992 10.60925 26.49833 11.03030 8.871586       15.30437 
1 1 1 -1  34 42 o 29.55729 9.279059 54.26874       29.89344 76.51000       38.23808 19.31000       47.93958 34.07704 10.46181 24.24400 10.61114 9.833040       14.90120 
1 1 1 -1  34 43 o 22.69877 8.887843 26.30493       28.70024 13.47000       36.93697 45.86000       45.59260 21.71750 9.412002 27.49297 11.05939 -5.775469      14.52226 
1 1 1 -1  34 44 o 17.45337 7.843844 -2.272694      27.97682 5.792000       35.95398 -14.65000      44.54162 20.34548 9.034468 19.80881 9.259095 0.5366726      12.93648 
1 1 1 -1  34 45 o 15.41845 7.249622 -18.32497      28.00045 -62.89000      35.58919 54.08000       45.36336 14.07670 6.965677 28.35180 11.15215 -14.27510      13.14881 
1 1 1 -1  35 1  o 90.42460 3.931391 407.0149       34.71363 520.6000       65.93458 363.4567       40.83075 100.7149 6.726826 85.03008 4.926886 15.68484       8.338128 
1 1 1 -1  35 2  o 135.7368 3.573381 913.7281       47.43569 961.7000       97.67390 898.9211       54.26485 136.4184 7.341796 134.3348 4.131811 2.083588       8.424597 
1 1 1 -1  35 3  o 70.09879 4.373590 245.9535       29.85971 226.3000       54.00340 254.6079       35.83599 65.16247 8.682649 71.00784 5.191811 -5.845367      10.11649 
1 1 1 -1  35 4  o 49.23708 5.302760 123.2535       25.15398 116.0000       47.70573 126.0467       29.60352 45.27829 10.89645 49.44676 6.256262 -4.168468      12.56477 
1 1 1 -1  35 5  o 54.69432 4.226767 149.8765       22.45310 219.6000       52.32241 134.1386       24.85832 64.23710 8.532179 51.48636 4.995269 12.75074       9.886900 
1 1 1 -1  35 6  o 19.64742 7.262973 16.37518       18.48664 -1.996000      43.08760 20.51996       20.46609 22.84721 10.02810 21.27946 7.676510 1.567755       12.62900 
1 1 1 -1  35 7  o 79.39153 3.435896 312.7853       26.63735 262.3000       56.74900 327.0518       30.16716 70.30560 8.413198 81.05708 3.812907 -10.75148      9.236891 
1 1 1 -1  35 8  o 46.37606 4.506227 108.4274       20.19806 95.92000       47.19242 111.2323       22.34839 40.86293 11.37956 46.83912 4.949274 -5.976196      12.40926 
1 1 1 -1  35 9  o 56.84718 3.918722 161.4680       21.67176 166.5000       50.12584 160.3112       24.03414 55.07530 9.649712 56.49887 4.380116 -1.423573      10.59728 
1 1 1 -1  35 10 o 75.42687 3.435565 282.6205       25.29815 324.3000       57.40406 272.5744       28.18255 78.67719 7.546381 73.91016 3.909466 4.767029       8.498928 
1 1 1 -1  35 11 o 48.30136 4.183435 117.2797       19.58393 160.8000       48.95957 108.9900       21.36784 53.95484 9.623472 46.36380 4.776704 7.591045       10.74375 
1 1 1 -1  35 12 o 73.00452 3.742241 265.8286       26.65239 305.7000       57.12352 254.7336       30.13334 76.03837 7.784722 71.22952 4.342598 4.808846       8.914038 
1 1 1 -1  35 13 o 116.0795 4.006873 673.1744       45.45855 730.2000       83.07095 648.7981       54.31224 118.2607 7.210601 113.3818 4.905430 4.878967       8.721009 
1 1 1 -1  35 14 o 82.33036 5.435200 345.5470       43.55574 366.0000       61.45226 324.9000       61.74301 83.16995 7.633646 77.86731 8.224915 5.302643       11.22149 
1 1 1 -1  35 15 o 38.66594 5.529907 77.47427       20.33390 0.000000       0.000000 77.47427       20.33390 ?        ?        38.66594 5.529907 ?              ?        
1 1 1 -1  35 16 o 75.84209 3.194346 285.9768       23.66055 287.6000       57.31312 285.6433       25.97753 73.03752 8.155853 75.67297 3.516740 -2.635445      8.881745 
1 1 1 -1  35 17 o 80.34211 3.100587 320.8026       24.33758 282.0000       57.97377 329.1039       26.81487 71.96478 8.387123 81.26093 3.378594 -9.296158      9.042054 
1 1 1 -1  35 18 o 49.04271 7.704515 130.6031       35.76699 141.4000       47.98096 117.1000       53.65817 49.28504 10.27921 43.35854 12.15593 5.926506       15.91944 
1 1 1 -1  35 19 o 41.06372 8.627908 94.72077       33.57515 143.9000       45.14821 33.87000       50.22070 50.20982 9.534996 28.20586 11.51148 22.00396       14.94759 
1 1 1 -1  35 20 o 35.19821 9.196001 71.33277       32.02610 104.3000       42.97130 30.14000       48.03389 41.84387 10.50770 27.30595 11.21410 14.53792       15.36775 
1 1 1 -1  35 21 o 39.38031 8.493972 87.44476       31.77790 59.54000       41.24634 128.2000       49.84688 31.86332 10.94693 45.85437 11.20302 -13.99106      15.66343 
1 1 1 -1  35 22 o 32.31776 9.363112 60.76073       31.32275 71.16000       40.71444 45.68000       49.02956 34.29279 10.83761 29.59936 11.60872 4.693438       15.88131 
1 1 1 -1  35 23 o 44.74892 7.843367 110.7209       33.10340 111.2000       42.70846 110.0000       52.39235 43.15485 10.26153 41.42816 12.14013 1.726696       15.89597 
1 1 1 -1  35 24 o 46.61691 7.599992 119.4112       33.48505 111.5000       43.83140 130.5000       51.89276 42.94142 10.51381 45.61672 11.59800 -2.675301      15.65420 
1 1 1 -1  35 25 o 22.37745 9.042858 18.94379       30.63493 39.33000       41.32333 -5.932000      45.64735 27.63987 10.70937 22.01322 9.944850 5.626656       14.61474 
1 1 1 -1  35 26 o 29.44095 11.11284 48.92000       43.73577 48.92000       43.73577 0.000000       0.000000 29.44095 11.11284 ?        ?        ?              ?        
1 1 1 -1  35 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  35 28 o 49.95465 11.06032 155.9000       52.65262 0.000000       0.000000 155.9000       52.65262 ?        ?        49.95465 11.06032 ?              ?        
1 1 1 -1  35 29 o 44.30572 11.73523 127.8000       51.69397 0.000000       0.000000 127.8000       51.69397 ?        ?        44.30572 11.73523 ?              ?        
1 1 1 -1  35 30 o 19.64544 8.580253 3.777117       31.20032 20.19000       40.96738 -18.89000      48.14419 24.00264 10.14322 20.88881 9.717916 3.113832       14.04716 
1 1 1 -1  35 31 o 26.57013 10.30414 38.61000       38.28123 38.61000       38.28123 0.000000       0.000000 26.57013 10.30414 ?        ?        ?              ?        
1 1 1 -1  35 32 o 26.16170 9.270088 39.37507       29.70775 34.47000       38.50393 46.59000       46.69803 25.78525 10.23302 28.43084 11.27374 -2.645590      15.22537 
1 1 1 -1  35 33 o 17.20444 7.849412 -9.159587      29.31165 -16.85000      37.96706 2.187000       46.11739 18.62193 8.651941 22.32326 10.04836 -3.701334      13.25992 
1 1 1 -1  35 34 o 30.44197 9.493965 56.88441       31.34730 96.31000       42.28280 8.769000       46.71074 38.50239 10.78943 23.18293 10.29586 15.31946       14.91364 
1 1 1 -1  35 35 o 39.38432 8.679077 92.28383       32.55456 107.7000       44.25818 74.11000       48.05389 40.50189 10.91769 32.96004 11.77832 7.541851       16.06004 
1 1 1 -1  35 36 o 33.16429 9.393462 68.11405       31.87213 72.90000       42.57119 62.01000       48.07742 33.06646 11.12490 30.74176 11.64069 2.324703       16.10184 
1 1 1 -1  35 37 o 30.04947 9.618650 56.18843       31.98596 42.85000       41.22247 76.37000       50.70597 27.21799 10.65340 33.12678 12.06423 -5.908783      16.09474 
1 1 1 -1  35 38 o 34.98582 11.83829 85.50000       48.20599 0.000000       0.000000 85.50000       48.20599 ?        ?        34.98582 11.83829 ?              ?        
1 1 1 -1  35 39 o 17.33618 7.883924 -7.072354      29.26801 -12.79000      37.83547 1.447000       46.18425 18.84075 8.712977 21.99936 9.964545 -3.158607      13.23662 
1 1 1 -1  35 40 f 21.82880 8.811365 21.17706       29.05068 14.55000       36.47126 32.68000       48.05013 21.93693 9.428673 25.96888 10.98015 -4.031946      14.47286 
1 1 1 -1  35 41 o 48.54055 7.063802 132.7177       32.57815 123.4000       41.99503 146.8000       51.62732 43.99102 9.982412 46.31903 11.45245 -2.328011      15.19234 
1 1 1 -1  35 42 f 17.60922 7.855052 -0.5334920     27.49726 1.205000       34.85889 -3.397000      44.73798 19.58216 8.781669 20.96831 9.615799 -1.386145      13.02234 
1 1 1 -1  35 43 o 16.72513 7.631533 -6.680143      27.71636 -6.876000      35.08470 -6.355000      45.20493 18.53606 8.505969 20.58951 9.522434 -2.053446      12.76825 
1 1 1 -1  35 44 o 16.45382 7.573249 -9.115844      28.10333 4.609000       35.69096 -31.51000      45.59024 19.93497 8.916884 18.43720 8.833314 1.497765       12.55142 
1 1 1 -1  36 1  o 67.35265 4.461518 228.0831       29.24750 170.1000       51.29092 256.0212       35.60314 55.34907 9.827209 71.06647 5.153209 -15.71740      11.09638 
1 1 1 -1  36 2  o 26.45714 8.189503 37.33261       23.37361 -24.53000      42.59380 63.98848       27.95946 20.05167 9.262948 34.13827 8.420433 -14.08660      12.51822 
1 1 1 -1  36 3  o 93.37041 3.412796 433.0906       31.13827 416.6000       64.20506 438.1622       35.60595 89.15760 7.424386 93.70924 3.890267 -4.551636      8.381866 
1 1 1 -1  36 4  o 61.15865 4.566948 188.5773       27.14209 193.9000       51.74352 186.5568       31.88014 59.53959 9.172716 60.46009 5.445262 -0.9205017     10.66722 
1 1 1 -1  36 5  f 65.69839 4.391729 217.0516       28.07987 224.1000       52.47527 214.2236       33.23910 64.49422 8.520671 64.88485 5.279166 -0.3906250     10.02354 
1 1 1 -1  36 6  o 32.45419 6.323108 55.67172       19.36432 70.69000       44.63201 52.18911       21.49257 35.10867 11.37349 31.11846 7.199188 3.990210       13.46049 
1 1 1 -1  36 7  o 17.90776 6.993987 11.26199       17.73479 -27.09000      44.77448 18.39863       19.31450 20.30615 9.421114 20.30201 7.437634 0.4140854E-02  12.00316 
1 1 1 -1  36 8  o 26.24540 7.014606 37.07430       18.36561 -1.830000      46.41453 44.29617       19.99771 23.32076 10.31489 28.62766 7.156491 -5.306900      12.55438 
1 1 1 -1  36 9  o 23.52894 7.088428 29.35746       17.66637 27.91000       45.46173 29.61492       19.17325 27.11627 10.99486 23.70486 7.429787 3.411409       13.26984 
1 1 1 -1  36 10 o 49.31253 4.278584 122.7874       20.44789 143.1000       51.41671 118.9713       22.28604 49.55032 10.89805 48.35542 4.770564 1.194897       11.89646 
1 1 1 -1  36 11 o 38.54832 5.508974 77.08629       20.19609 157.6000       48.94096 60.56160       22.17197 52.76047 9.838548 33.52958 6.982832 19.23089       12.06470 
1 1 1 -1  36 12 o 18.42437 7.745259 5.845983       23.68715 33.20000       44.23677 -5.149643      28.04677 27.58231 10.96122 17.93368 7.970539 9.648630       13.55278 
1 1 1 -1  36 13 o 40.01120 5.147212 82.59017       19.69212 0.000000       0.000000 82.59017       19.69212 ?        ?        40.01120 5.147212 ?              ?        
1 1 1 -1  36 14 o 54.57475 6.011500 155.4362       31.58169 0.000000       0.000000 155.4362       31.58169 ?        ?        54.57475 6.011500 ?              ?        
1 1 1 -1  36 15 f 70.02361 3.848600 246.2853       26.27727 269.6000       54.83652 239.3358       29.93846 70.32615 8.114760 68.71735 4.475340 1.608795       9.267038 
1 1 1 -1  36 16 o 17.85735 6.082874 15.64085       12.72951 1.623000       42.15917 17.04701       13.35272 22.40924 9.874644 18.50288 6.230530 3.906363       11.67596 
1 1 1 -1  36 17 o 40.31906 3.845113 82.17848       14.99134 70.73000       42.83351 83.77660       16.00352 34.25581 11.14538 40.63280 4.078870 -6.376999      11.86830 
1 1 1 -1  36 18 o 34.20638 3.788059 59.31697       12.47092 0.5289000      39.71938 65.74613       13.13516 21.62583 9.554672 36.03447 3.780219 -14.40865      10.27530 
1 1 1 -1  36 19 o 58.40948 6.275471 180.0595       35.31658 222.3000       47.73989 129.0000       52.48736 63.75329 7.813341 45.33292 11.73733 18.42038       14.10011 
1 1 1 -1  36 20 o 75.27156 5.476136 293.3342       40.07104 332.8000       54.47457 246.8000       59.15199 78.73093 7.146523 65.60892 9.485881 13.12201       11.87665 
1 1 1 -1  36 21 o 39.29578 8.808355 88.78141       33.04057 112.9000       42.96104 53.86000       51.69455 43.34293 10.28235 30.87667 11.97411 12.46626       15.78309 
1 1 1 -1  36 22 o 41.14082 8.467274 96.16789       32.96009 119.3000       42.62303 61.76000       51.98352 44.80172 9.975761 32.13091 12.11826 12.67081       15.69612 
1 1 1 -1  36 23 o 45.53551 7.877692 115.5037       33.84162 154.6000       44.65621 62.76000       51.86794 51.80746 9.140074 32.18412 12.11208 19.62334       15.17377 
1 1 1 -1  36 24 o 55.12180 9.301828 176.5000       48.40341 176.5000       48.40341 0.000000       0.000000 55.12180 9.301828 ?        ?        ?              ?        
1 1 1 -1  36 25 o 22.49456 9.125701 19.72294       31.33738 -1.482000      40.54640 51.18000       49.38475 21.24370 9.503052 29.93421 11.67676 -8.690512      15.05506 
1 1 1 -1  36 26 o 39.96280 8.689547 92.88309       33.01973 73.39000       44.28023 117.3000       49.55813 33.84103 11.34565 42.45475 11.59894 -8.613720      16.22527 
1 1 1 -1  36 27 o 47.75251 11.18896 144.7000       51.37896 0.000000       0.000000 144.7000       51.37896 ?        ?        47.75251 11.18896 ?              ?        
1 1 1 -1  36 28 o 20.97581 8.883800 11.93250       31.54109 16.80000       42.63010 6.045000       46.88449 23.73184 10.19684 23.10493 10.28490 0.6269054      14.48291 
1 1 1 -1  36 29 o 26.23827 9.454401 39.45608       31.03301 11.42000       41.38299 75.48000       46.90927 22.67215 9.892327 33.58542 11.66792 -10.91327      15.29701 
1 1 1 -1  36 30 o 20.28410 8.606684 10.86422       29.69597 -14.80000      38.65349 47.83000       46.39003 19.02139 8.800084 28.55991 11.26425 -9.538515      14.29422 
1 1 1 -1  36 31 o 31.13633 11.64639 63.71000       47.80118 0.000000       0.000000 63.71000       47.80118 ?        ?        31.13633 11.64639 ?              ?        
1 1 1 -1  36 32 o 48.76464 7.616953 134.4715       35.16910 135.9000       47.89518 132.8000       51.80822 45.95384 10.82697 44.33478 11.75064 1.619064       15.97814 
1 1 1 -1  36 33 o 18.70967 8.716228 -17.63000      38.94331 -17.63000      38.94331 0.000000       0.000000 18.70967 8.716228 ?        ?        ?              ?        
1 1 1 -1  36 34 o 19.78678 8.512711 8.363373       29.78374 -12.44000      39.66979 35.24000       45.09002 19.38853 8.950469 26.27525 10.83560 -6.886717      14.05422 
1 1 1 -1  36 35 o 35.94864 11.10701 87.08000       43.01678 87.08000       43.01678 0.000000       0.000000 35.94864 11.10701 ?        ?        ?              ?        
1 1 1 -1  36 36 o 24.44437 9.302285 32.59201       30.79455 47.72000       40.93546 12.87000       46.73956 27.98787 10.70702 23.41884 10.35496 4.569033       14.89514 
1 1 1 -1  36 37 o 43.64003 11.89734 132.7000       52.20554 0.000000       0.000000 132.7000       52.20554 ?        ?        43.64003 11.89734 ?              ?        
1 1 1 -1  36 38 o 44.58684 7.806688 114.9362       32.82988 89.78000       41.76809 155.6000       53.10377 36.48849 10.87781 47.91869 11.47379 -11.43020      15.81059 
1 1 1 -1  36 39 o 28.15763 9.311502 49.16059       29.84644 36.20000       38.09571 69.76000       48.02763 25.55638 10.16681 31.63795 11.70459 -6.081577      15.50359 
1 1 1 -1  36 40 o 26.03438 9.254634 41.17099       29.62978 32.87000       38.16221 53.77000       47.01501 24.80798 10.06821 28.66495 11.32922 -3.856968      15.15652 
1 1 1 -1  36 41 o 20.97445 8.656236 18.48463       28.80557 61.66000       36.67593 -51.03000      46.53730 30.25643 10.32470 17.44401 8.493046 12.81242       13.36904 
1 1 1 -1  36 42 o 25.48289 9.159144 40.23498       29.10369 40.39000       36.90505 39.98000       47.33126 25.66307 10.06961 26.07713 10.95455 -0.4140568     14.87949 
1 1 1 -1  37 1  o 100.0974 3.389382 498.8775       33.16060 539.7000       70.40193 487.2385       37.59180 101.2143 7.152248 98.64905 3.900776 2.565208       8.146822 
1 1 1 -1  37 2  o 42.52242 6.118567 94.75202       24.73458 73.36000       46.28202 103.3048       29.26436 35.21833 11.59299 43.99253 7.032746 -8.774197      13.55939 
1 1 1 -1  37 3  o 55.23958 4.956536 155.6762       26.51541 89.47000       48.04944 184.6653       31.79487 38.47446 11.71122 59.93616 5.480105 -21.46170      12.92997 
1 1 1 -1  37 4  o 55.08963 4.189989 153.1000       22.42432 170.1000       48.76414 148.5410       25.25275 55.06385 9.383624 53.99654 4.828808 1.067310       10.55319 
1 1 1 -1  37 5  o 36.64865 6.586100 71.62662       22.75772 71.60000       43.90433 71.63639       26.61193 34.79231 11.28114 36.12431 7.757805 -1.332001      13.69115 
1 1 1 -1  37 6  o 56.26007 3.968405 159.2704       21.71336 191.3000       49.09822 151.4830       24.20947 58.79605 8.801533 54.61778 4.570266 4.178268       9.917374 
1 1 1 -1  37 7  o 34.56176 5.854158 62.91805       19.09841 90.06000       45.10089 56.98757       21.08190 38.60672 11.24987 32.46234 6.850365 6.144382       13.17145 
1 1 1 -1  37 8  o 27.51058 6.821621 41.16943       18.27826 34.31000       43.01273 42.68110       20.19213 27.39971 10.83404 27.88266 7.310340 -0.4829445     13.06972 
1 1 1 -1  37 9  o 26.19278 7.286074 37.58158       19.35847 25.29000       43.13103 40.68233       21.66304 25.91269 10.63244 27.14054 7.763165 -1.227858      13.16494 
1 1 1 -1  37 10 o 22.95002 10.05648 4.276000       43.17012 4.276000       43.17012 0.000000       0.000000 22.95002 10.05648 ?        ?        ?              ?        
1 1 1 -1  37 11 o 79.16251 3.379750 312.9385       26.12822 375.8000       61.12289 298.8835       28.90195 83.58578 7.552155 77.13791 3.839906 6.447876       8.472304 
1 1 1 -1  37 12 o 69.28806 3.841444 241.3590       25.95111 0.000000       0.000000 241.3590       25.95111 ?        ?        69.28806 3.841444 ?              ?        
1 1 1 -1  37 13 o 40.20437 4.564323 82.80133       17.64453 118.5000       46.61750 76.83202       19.06274 44.28733 10.84249 38.46038 5.196501 5.826946       12.02344 
1 1 1 -1  37 14 o 66.77887 4.295279 226.0140       27.92720 269.2000       51.94263 208.4539       33.12186 70.40469 7.660690 63.50697 5.378822 6.897717       9.360443 
1 1 1 -1  37 15 o 44.53027 3.952748 100.4332       17.05021 95.11000       44.07137 101.3702       18.49000 39.28820 11.01729 44.60839 4.287350 -5.320187      11.82210 
1 1 1 -1  37 16 o 97.77652 3.729344 480.1432       35.62677 484.7000       67.15500 478.3584       42.02879 94.92426 7.283248 97.08461 4.434438 -2.160355      8.527013 
1 1 1 -1  37 17 f 44.99752 3.633454 102.0819       15.86749 62.95000       44.02927 107.9228       17.01054 32.28560 11.29838 46.21466 3.793752 -13.92905      11.91830 
1 1 1 -1  37 18 o 42.31609 8.338189 101.2408       33.30809 102.1000       45.00311 100.2000       49.53132 40.50936 11.04716 39.49152 11.86272 1.017834       16.21000 
1 1 1 -1  37 19 o 21.08586 8.770345 12.99290       29.89154 3.052000       38.99316 27.16000       46.54961 21.60341 9.508962 26.23820 10.93151 -4.634790      14.48856 
1 1 1 -1  37 20 o 48.91389 7.189740 130.5651       33.39685 112.4000       43.87067 155.6000       51.50255 42.85714 10.53382 50.48706 10.75154 -7.629921      15.05181 
1 1 1 -1  37 21 o 27.79931 9.494117 44.33859       31.01360 23.40000       40.24619 74.95000       48.66231 24.62476 10.20375 34.17865 11.88336 -9.553892      15.66304 
1 1 1 -1  37 22 o 34.76473 9.215922 71.79048       31.86403 76.18000       42.44141 66.12000       48.23819 34.68774 11.07725 32.43607 11.77371 2.251671       16.16557 
1 1 1 -1  37 23 o 49.64585 9.738770 147.1000       45.63389 147.1000       45.63389 0.000000       0.000000 49.64585 9.738770 ?        ?        ?              ?        
1 1 1 -1  37 24 o 25.19901 9.309258 34.11490       30.36254 55.89000       40.72266 6.857000       45.56194 30.28054 10.84018 23.08045 10.21362 7.200096       14.89388 
1 1 1 -1  37 25 o 19.54990 9.180352 -25.43000      44.64899 0.000000       0.000000 -25.43000      44.64899 ?        ?        19.54990 9.180352 ?              ?        
1 1 1 -1  37 26 o 18.58934 8.353768 -4.132043      31.72618 3.259000       43.59973 -12.45000      46.25293 22.12110 9.877833 20.98564 9.679487 1.135466       13.82983 
1 1 1 -1  37 27 o 27.89207 9.531513 46.70709       31.25933 49.41000       41.88815 43.31000       46.96006 28.61914 10.85901 27.83734 11.21486 0.7817993      15.61061 
1 1 1 -1  37 28 o 30.33425 9.487446 56.65299       31.28077 17.82000       41.38576 108.4000       47.77417 23.42929 10.05657 40.04694 11.55174 -16.61765      15.31592 
1 1 1 -1  37 29 o 37.69481 8.864240 85.47375       32.15321 92.37000       43.17886 76.89000       48.17297 37.24128 11.04962 33.44449 11.80885 3.796787       16.17229 
1 1 1 -1  37 30 o 37.38466 8.960142 84.32597       32.36033 20.83000       42.39154 173.0000       50.09615 23.95062 10.22677 52.88700 10.04438 -28.93638      14.33445 
1 1 1 -1  37 31 o 17.54971 7.954101 -6.303311      29.48395 9.657000       39.03659 -27.50000      44.98682 21.81463 9.560827 19.16069 9.063775 2.653942       13.17427 
1 1 1 -1  37 32 o 35.35821 9.119466 76.63328       31.76786 69.18000       41.52616 87.15000       49.32741 32.26128 10.98666 35.15450 11.97423 -2.893211      16.25081 
1 1 1 -1  37 33 o 25.06403 9.545921 35.03363       32.44542 40.16000       44.61665 29.28000       47.26751 26.85234 10.89060 25.50673 10.84196 1.345613       15.36728 
1 1 1 -1  37 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  37 35 o 21.45584 9.373805 10.13000       37.26295 10.13000       37.26295 0.000000       0.000000 21.45584 9.373805 ?        ?        ?              ?        
1 1 1 -1  37 36 f 27.60832 11.31667 44.95000       48.79776 0.000000       0.000000 44.95000       48.79776 ?        ?        27.60832 11.31667 ?              ?        
1 1 1 -1  37 37 o 31.87489 9.256611 63.69742       30.58142 30.54000       38.48561 120.5000       50.37233 24.60895 10.06435 41.26100 11.84929 -16.65204      15.54660 
1 1 1 -1  37 38 o 24.38480 9.124791 34.13044       29.34903 44.76000       37.74642 17.88000       46.67141 26.91920 10.28562 23.61877 10.39933 3.300430       14.62669 
1 1 1 -1  37 39 o 23.32248 8.943399 30.09441       28.60593 20.89000       36.53350 44.68000       45.98913 22.54759 9.555784 26.99429 11.01628 -4.446692      14.58326 
1 1 1 -1  37 40 o 29.03824 9.282788 54.52119       29.79860 52.40000       37.80721 58.00000       48.41720 28.01138 10.38078 28.79634 11.45970 -0.7849636     15.46239 
1 1 1 -1  37 41 o 20.86229 8.630515 18.95052       28.72736 25.51000       36.17533 7.752000       47.26699 22.95213 9.605041 22.10244 10.03872 0.8496914      13.89362 
1 1 1 -1  38 1  o 36.60178 5.568373 70.22265       19.32166 89.05000       40.60459 64.71165       21.96824 38.55494 10.48484 34.60559 6.727859 3.949341       12.45777 
1 1 1 -1  38 2  o 44.70589 4.606739 102.1942       19.87051 126.2000       41.80598 95.18820       22.58469 46.87423 9.438539 42.73475 5.528599 4.139484       10.93853 
1 1 1 -1  38 3  o 47.02448 5.366864 114.6384       24.26130 110.6000       45.06625 116.2864       28.78918 42.83717 10.76284 46.80314 6.455950 -3.965969      12.55062 
1 1 1 -1  38 4  o 65.14493 4.311419 215.0162       27.33738 249.5000       50.76043 200.9283       32.44450 67.71872 7.800245 62.38863 5.364922 5.330093       9.467112 
1 1 1 -1  38 5  o 71.31464 3.475941 254.5634       24.19063 264.9000       51.41817 251.6252       27.41406 69.90342 7.638905 70.65800 3.979833 -0.7545853     8.613474 
1 1 1 -1  38 6  o 25.40347 7.627531 35.48623       20.48092 25.23000       38.93895 39.40879       24.08104 25.08614 10.17416 26.63837 8.323235 -1.552233      13.14495 
1 1 1 -1  38 7  o 36.40147 5.432393 69.37333       18.76447 89.94000       41.23120 64.00082       21.07329 38.55901 10.59791 34.48091 6.481663 4.078102       12.42287 
1 1 1 -1  38 8  o 60.94509 8.285641 205.8000       48.14891 205.8000       48.14891 0.000000       0.000000 60.94509 8.285641 ?        ?        ?              ?        
1 1 1 -1  38 9  o 41.01965 4.755485 86.62318       18.74046 67.63000       41.58652 91.46307       20.99285 33.40119 10.98891 41.95653 5.224577 -8.555340      12.16768 
1 1 1 -1  38 10 o 58.70614 3.736377 173.5504       21.35899 189.7000       48.00092 169.5633       23.85027 58.03410 8.719393 57.79028 4.245947 0.2438202      9.698241 
1 1 1 -1  38 11 o 24.60320 7.238248 33.27029       18.59334 0.000000       0.000000 33.27029       18.59334 ?        ?        24.60320 7.238248 ?              ?        
1 1 1 -1  38 12 o 30.97610 5.865044 51.26659       17.13201 58.46000       40.79954 49.72672       18.87684 31.33799 10.88189 30.20381 6.572219 1.134182       12.71257 
1 1 1 -1  38 13 o 17.47475 6.451702 13.61421       14.57942 -2.490000      39.58111 16.14216       15.68203 21.05752 9.406657 18.54701 6.715747 2.510509       11.55796 
1 1 1 -1  38 14 o 23.25685 7.861691 28.87491       21.25940 24.23000       41.31276 30.54797       24.79426 25.04555 10.35436 24.04623 8.473530 0.9993191      13.37959 
1 1 1 -1  38 15 o 60.23874 3.390361 182.0192       19.91002 172.3000       50.16115 183.8368       21.69195 54.11311 9.832243 60.40687 3.686198 -6.293762      10.50053 
1 1 1 -1  38 16 o 90.80620 3.793315 415.4556       33.64210 413.9000       64.60726 416.0343       39.40604 86.91825 7.672586 90.37109 4.468647 -3.452843      8.879042 
1 1 1 -1  38 17 o 43.43533 3.775608 95.57964       15.89294 50.10000       46.27158 101.6626       16.92245 29.66135 11.37440 44.75473 3.901912 -15.09337      12.02505 
1 1 1 -1  38 18 o 34.84465 9.591057 73.13383       33.74103 87.48000       46.34268 56.95000       49.22136 36.72555 11.55664 30.81246 11.75221 5.913090       16.48242 
1 1 1 -1  38 19 o 23.95709 9.402795 26.90310       32.18670 -48.67000      42.40694 129.6000       49.43471 17.27706 8.338942 45.16392 11.22991 -27.88686      13.98745 
1 1 1 -1  38 20 o 42.69405 8.484723 105.0820       34.20817 141.7000       46.19002 60.60000       50.90880 48.31283 10.09332 31.29303 11.94795 17.01981       15.64061 
1 1 1 -1  38 21 o 53.09765 9.739379 168.7000       48.75409 168.7000       48.75409 0.000000       0.000000 53.09765 9.739379 ?        ?        ?              ?        
1 1 1 -1  38 22 o 19.74791 9.039365 -10.64000      39.29013 -10.64000      39.29013 0.000000       0.000000 19.74791 9.039365 ?        ?        ?              ?        
1 1 1 -1  38 23 o 39.74442 8.660709 92.88839       32.73838 122.2000       44.11040 56.94000       48.84959 44.18298 10.37737 30.29164 11.66868 13.89134       15.61563 
1 1 1 -1  38 24 o 23.07386 10.20302 9.709000       45.38441 0.000000       0.000000 9.709000       45.38441 ?        ?        23.07386 10.20302 ?              ?        
1 1 1 -1  38 25 o 22.14756 8.833726 22.07789       28.83415 -20.56000      37.07664 87.33000       45.86695 18.01098 8.428148 35.85817 11.52220 -17.84719      14.27567 
1 1 1 -1  38 26 o 30.47540 9.437239 57.46788       31.03477 83.90000       41.33364 23.31000       46.98758 35.60608 10.86675 24.83798 10.68913 10.76810       15.24283 
1 1 1 -1  38 27 o 27.93186 9.468608 47.47898       30.83947 28.84000       40.67896 72.67000       47.29132 24.83712 10.27202 32.62891 11.68167 -7.791790      15.55558 
1 1 1 -1  38 28 o 45.48149 7.618047 117.6823       32.71614 125.5000       43.59227 107.6000       49.50489 44.58481 10.20928 39.35297 11.86815 5.231838       15.65510 
1 1 1 -1  38 29 o 28.07833 9.372954 48.30775       30.22499 75.93000       39.42765 8.940000       47.06973 33.89037 10.65894 23.00326 10.26813 10.88712       14.80026 
1 1 1 -1  38 30 o 28.15158 9.355121 48.60852       30.11683 27.40000       38.95495 80.12000       47.48340 24.32026 10.05453 33.88055 11.74082 -9.560286      15.45770 
1 1 1 -1  38 31 o 16.68529 7.689645 -11.84654      29.10528 -0.4926000     36.60275 -31.37000      47.99752 19.94257 8.966457 19.39169 9.227633 0.5508823      12.86649 
1 1 1 -1  38 32 o 21.40572 9.294053 11.35000       36.15348 11.35000       36.15348 0.000000       0.000000 21.40572 9.294053 ?        ?        ?              ?        
1 1 1 -1  38 33 o 22.00063 8.892793 21.73596       29.63484 30.26000       37.38907 7.332000       48.60298 24.52019 9.960434 22.95175 10.32476 1.568439       14.34611 
1 1 1 -1  38 34 o 24.99211 10.70671 27.67000       46.74234 0.000000       0.000000 27.67000       46.74234 ?        ?        24.99211 10.70671 ?              ?        
1 1 1 -1  38 35 f 41.93974 8.286724 104.3600       32.81163 93.79000       42.93518 119.2000       50.87362 36.99478 11.02873 40.75404 11.96842 -3.759258      16.27501 
1 1 1 -1  38 36 o 37.74385 12.00349 104.8000       49.87727 0.000000       0.000000 104.8000       49.87727 ?        ?        37.74385 12.00349 ?              ?        
1 1 1 -1  38 37 o 24.39136 9.902383 31.98000       36.92963 31.98000       36.92963 0.000000       0.000000 24.39136 9.902383 ?        ?        ?              ?        
1 1 1 -1  38 38 o 27.29700 9.314903 47.63707       29.85265 25.29000       37.32854 87.29000       49.72428 23.16412 9.729469 33.74503 11.98958 -10.58091      15.44062 
1 1 1 -1  38 39 o 12.95258 6.356730 -43.66770      27.64351 -40.65000      34.66334 -48.94000      45.81763 15.20746 7.387161 17.24669 8.403707 -2.039227      11.18894 
1 1 1 -1  39 1  o 43.13010 4.839504 95.99849       20.07889 0.000000       0.000000 95.99849       20.07889 ?        ?        43.13010 4.839504 ?              ?        
1 1 1 -1  39 2  o 76.64648 3.946121 296.5213       29.50559 0.000000       0.000000 296.5213       29.50559 ?        ?        76.64648 3.946121 ?              ?        
1 1 1 -1  39 3  o 52.17542 4.177150 138.3372       21.15495 185.5000       43.62017 123.8326       24.19023 57.95542 7.894325 48.89083 5.131198 9.064583       9.415390 
1 1 1 -1  39 4  o 34.30103 6.976924 64.56885       22.62645 62.26000       38.91709 65.74783       27.80972 32.11517 10.63318 33.87058 8.423413 -1.755409      13.56534 
1 1 1 -1  39 5  o 34.47393 7.091776 65.44503       23.13149 108.5000       40.97058 45.29918       28.02549 42.60031 9.998220 28.13908 9.003116 14.46123       13.45439 
1 1 1 -1  39 6  o 43.03517 7.687540 102.7892       31.19456 121.0000       44.30737 84.89000       43.92663 44.76802 10.32227 36.75928 11.19920 8.008743       15.23060 
1 1 1 -1  39 7  o 43.24566 6.536250 100.6184       26.80548 104.8000       43.45577 98.05000       34.05668 41.23773 10.68130 41.31703 8.696671 -0.7929993E-01 13.77397 
1 1 1 -1  39 8  o 25.64629 6.890376 36.34585       17.66405 5.863000       40.05103 43.70710       19.68165 22.15247 9.697219 28.02124 7.152500 -5.868769      12.04966 
1 1 1 -1  39 9  o 45.09612 5.050889 105.5040       21.91269 0.000000       0.000000 105.5040       21.91269 ?        ?        45.09612 5.050889 ?              ?        
1 1 1 -1  39 10 o 18.04249 7.123480 12.03528       18.56989 0.000000       0.000000 12.03528       18.56989 ?        ?        18.04249 7.123480 ?              ?        
1 1 1 -1  39 11 o 31.16181 5.973754 52.22380       17.55828 52.30000       43.50532 52.20897       19.19063 29.94679 11.12855 30.90055 6.548505 -0.9537640     12.91230 
1 1 1 -1  39 12 f 27.88117 6.255799 42.38488       16.65179 39.98000       42.71652 42.81581       18.08227 27.63713 10.83666 27.84855 6.712710 -0.2114239     12.74730 
1 1 1 -1  39 13 o 41.49883 4.313940 88.28540       17.26788 96.93000       43.82306 86.69650       18.78792 39.14663 10.98929 40.91255 4.781620 -1.765915      11.98451 
1 1 1 -1  39 14 o 40.86427 4.290674 85.67271       16.90661 108.5000       44.00369 81.71947       18.31214 41.59547 10.73544 39.66842 4.814603 1.927055       11.76563 
1 1 1 -1  39 15 o 33.59275 6.936971 62.50598       22.05404 118.3000       42.55858 42.02284       25.78645 44.06262 10.08593 27.02703 8.634790 17.03559       13.27726 
1 1 1 -1  39 16 o 16.76337 6.391210 11.69545       14.55364 30.87000       39.04068 8.600784       15.68417 25.48461 10.24005 16.20714 6.497943 9.277472       12.12773 
1 1 1 -1  39 17 o 18.43415 5.991105 17.73676       12.37863 13.32000       39.33614 18.22223       13.04118 22.72839 9.780708 18.70356 6.153721 4.024834       11.55554 
1 1 1 -1  39 18 o 22.38061 8.926150 21.76580       29.43893 26.16000       38.68525 15.72000       45.37664 24.56061 10.07271 24.04109 10.42544 0.5195255      14.49653 
1 1 1 -1  39 19 o 33.11115 9.252380 66.34081       31.14076 94.97000       40.75592 26.18000       48.27111 38.72602 10.49305 25.72865 10.94710 12.99737       15.16388 
1 1 1 -1  39 20 o 30.90215 10.84810 60.62000       40.61025 60.62000       40.61025 0.000000       0.000000 30.90215 10.84810 ?        ?        ?              ?        
1 1 1 -1  39 21 o 24.23415 9.152235 31.36648       29.67356 32.66000       38.44397 29.46000       46.67225 25.35822 10.17106 25.73825 10.84891 -0.3800259     14.87109 
1 1 1 -1  39 22 o 41.13236 12.05101 117.9000       51.63042 0.000000       0.000000 117.9000       51.63042 ?        ?        41.13236 12.05101 ?              ?        
1 1 1 -1  39 23 f 26.07742 10.94834 32.60000       47.23512 0.000000       0.000000 32.60000       47.23512 ?        ?        26.07742 10.94834 ?              ?        
1 1 1 -1  39 24 o 57.08119 6.132040 176.2485       33.72475 181.0000       43.39266 169.0000       53.59477 55.91587 8.169331 50.80242 11.08976 5.113445       13.77392 
1 1 1 -1  39 25 o 21.26192 8.647840 18.61298       28.22612 21.53000       35.79937 13.82000       45.88904 23.00091 9.584930 23.43196 10.31463 -0.4310474     14.08057 
1 1 1 -1  39 26 f 41.56085 7.868759 99.78119       30.83902 118.4000       40.32166 73.54000       47.86899 43.69463 9.682470 32.66968 11.74596 11.02494       15.22228 
1 1 1 -1  39 27 o 17.18286 7.754260 -4.789225      27.66496 -41.31000      35.18158 54.38000       44.78095 15.59001 7.541900 29.12882 11.18473 -13.53881      13.48994 
1 1 1 -1  39 28 o 35.41468 8.943272 76.78974       31.00365 129.9000       41.13992 6.978000       47.16702 45.91045 9.469254 22.72045 10.19997 23.19000       13.91784 
1 1 1 -1  39 29 o 21.61717 8.768385 20.38387       28.92618 33.10000       37.44633 1.569000       45.54940 24.99969 10.03445 21.83726 9.892999 3.162430       14.09119 
1 1 1 -1  39 30 o 22.08422 8.837898 22.79814       28.95868 5.142000       37.26375 49.72000       46.01413 20.73007 9.201826 28.26634 11.19650 -7.536276      14.49260 
1 1 1 -1  39 31 o 26.51392 10.34952 41.31000       38.81717 41.31000       38.81717 0.000000       0.000000 26.51392 10.34952 ?        ?        ?              ?        
1 1 1 -1  39 32 o 41.80215 8.006639 102.6988       31.56840 92.93000       40.72796 117.4000       49.96313 37.17064 10.64846 40.49696 11.85207 -3.326317      15.93302 
1 1 1 -1  39 33 o 25.42051 10.82473 31.23000       47.26435 0.000000       0.000000 31.23000       47.26435 ?        ?        25.42051 10.82473 ?              ?        
1 1 1 -1  39 34 o 14.41272 6.899481 -27.86579      27.68822 -15.16000      34.84531 -49.63000      45.60525 17.68678 8.241432 17.40252 8.457988 0.2842503      11.80927 
1 1 1 -1  39 35 o 30.75253 9.321661 60.77742       30.48526 102.1000       39.36933 -1.104000      48.17752 39.25545 10.16609 21.62586 9.939904 17.62959       14.21799 
1 1 1 -1  39 36 o 27.00539 9.319449 46.57123       29.90486 84.11000       38.05368 -14.05000      48.35808 35.00945 10.36953 20.34732 9.554575 14.66213       14.10025 
1 1 1 -1  39 37 o 17.73694 7.944131 0.4690507      28.42879 11.18000       36.01028 -17.25000      46.31618 20.73822 9.132709 19.57072 9.239357 1.167503       12.99123 
1 1 1 -1  39 38 o 21.65789 9.901507 6.031000       46.95215 0.000000       0.000000 6.031000       46.95215 ?        ?        21.65789 9.901507 ?              ?        
1 1 1 -1  40 1  o 43.07635 4.917315 96.27631       20.36258 0.000000       0.000000 96.27631       20.36258 ?        ?        43.07635 4.917315 ?              ?        
1 1 1 -1  40 2  o 54.87271 4.136400 153.2266       22.05341 0.000000       0.000000 153.2266       22.05341 ?        ?        54.87271 4.136400 ?              ?        
1 1 1 -1  40 3  o 28.73282 6.944863 45.89756       19.31365 0.000000       0.000000 45.89756       19.31365 ?        ?        28.73282 6.944863 ?              ?        
1 1 1 -1  40 4  o 39.64581 7.396951 87.37417       27.64934 0.000000       0.000000 87.37417       27.64934 ?        ?        39.64581 7.396951 ?              ?        
1 1 1 -1  40 5  o 36.74904 8.212507 77.39742       28.79669 56.60000       40.49191 98.68000       40.96149 30.57513 10.82371 39.97647 10.37810 -9.401346      14.99526 
1 1 1 -1  40 6  o 29.66288 7.427231 49.64700       21.51430 68.81000       42.07697 42.86370       25.03417 33.05536 11.05946 27.31155 8.478980 5.743811       13.93574 
1 1 1 -1  40 7  o 26.14262 6.962577 38.13852       18.13388 -38.86000      41.84961 55.93752       20.12093 17.85213 8.528658 31.87663 6.663514 -14.02450      10.82314 
1 1 1 -1  40 8  f 21.41817 7.939094 22.49824       22.11559 0.000000       0.000000 22.49824       22.11559 ?        ?        21.41817 7.939094 ?              ?        
1 1 1 -1  40 9  o 21.32560 7.150702 24.18469       17.58923 -35.71000      41.94599 36.96344       19.37494 18.09745 8.615880 25.62757 7.345370 -7.530119      11.32201 
1 1 1 -1  40 10 o 27.44037 6.635368 41.73676       17.62466 95.56000       42.42099 30.50774       19.37613 38.81160 10.78174 23.48910 7.482822 15.32250       13.12397 
1 1 1 -1  40 11 o 38.84148 4.839210 78.58143       18.00031 63.17000       42.18159 82.01272       19.90355 31.67286 11.06052 39.47076 5.284320 -7.797894      12.25803 
1 1 1 -1  40 12 o 25.71942 6.490883 36.66226       16.33879 43.68000       39.42461 35.20699       17.95313 27.71386 10.53034 25.05557 7.033824 2.658289       12.66344 
1 1 1 -1  40 13 o 17.50643 6.495946 13.96093       14.81325 38.80000       37.27718 9.303003       16.14253 26.60261 10.20725 16.50300 6.600479 10.09961       12.15543 
1 1 1 -1  40 14 o 62.74397 3.395092 198.1952       20.77346 153.4000       45.77031 209.8166       23.31291 50.56995 9.597638 64.38713 3.714829 -13.81718      10.29148 
1 1 1 -1  40 15 o 42.86479 5.439276 97.20210       22.30855 80.50000       41.01602 104.2187       26.58467 35.27582 10.83614 43.81528 6.386435 -8.539455      12.57810 
1 1 1 -1  40 16 o 30.62809 5.746001 50.73737       16.59369 14.77000       38.65982 58.86024       18.37215 22.63210 9.717148 32.95837 5.912138 -10.32627      11.37437 
1 1 1 -1  40 17 o 35.00971 4.286451 63.44469       14.38295 97.05000       39.83870 58.40800       15.42317 39.07059 10.28020 33.31252 4.874213 5.758072       11.37719 
1 1 1 -1  40 18 o 40.40966 10.13311 103.5000       40.00312 103.5000       40.00312 0.000000       0.000000 40.40966 10.13311 ?        ?        ?              ?        
1 1 1 -1  40 19 o 29.52048 10.25625 54.95000       36.24530 54.95000       36.24530 0.000000       0.000000 29.52048 10.25625 ?        ?        ?              ?        
1 1 1 -1  40 20 o 26.75636 9.035295 42.84522       28.08027 51.64000       35.55684 28.27000       45.77393 28.73651 10.14546 25.24591 10.69764 3.490599       14.74347 
1 1 1 -1  40 21 o 23.22719 10.22992 13.67000       45.19413 0.000000       0.000000 13.67000       45.19413 ?        ?        23.22719 10.22992 ?              ?        
1 1 1 -1  40 22 o 26.23289 9.131091 40.91103       28.73575 38.20000       36.11349 45.59000       47.44365 25.93562 10.02169 27.84395 11.25291 -1.908327      15.06858 
1 1 1 -1  40 23 o 43.15127 7.380497 105.6842       30.05389 67.60000       37.90018 170.2000       49.32895 32.14244 10.48572 52.21001 10.01678 -20.06758      14.50125 
1 1 1 -1  40 24 o 25.95650 8.974634 40.13536       27.73800 30.92000       35.51926 54.54000       44.40776 24.43949 9.785405 29.09621 11.14667 -4.656727      14.83248 
1 1 1 -1  40 25 o 23.63610 8.888062 30.53015       27.91816 3.147000       36.03954 71.62000       44.14737 20.24379 9.013912 32.29996 11.31279 -12.05617      14.46478 
1 1 1 -1  40 26 o 21.09858 8.656609 18.15433       28.58817 28.60000       37.43210 3.533000       44.28629 24.17904 9.911328 21.78833 9.823733 2.390709       13.95493 
1 1 1 -1  40 27 o 21.49923 8.658411 20.74036       27.98036 48.03000       36.26148 -19.42000      43.98914 27.73473 10.18597 19.46500 9.131526 8.269730       13.67987 
1 1 1 -1  40 28 o 17.02122 7.710753 -5.544515      27.66614 -0.2215000     35.37362 -13.93000      44.39813 19.61825 8.818132 20.02237 9.320684 -0.4041157     12.83100 
1 1 1 -1  40 29 o 23.10445 9.010961 27.85172       29.40535 41.19000       37.00179 4.989000       48.44363 26.32315 10.15143 22.54505 10.20918 3.778101       14.39718 
1 1 1 -1  40 30 o 21.43786 8.810855 19.59273       29.68111 9.832000       36.63471 38.24000       50.63600 21.08342 9.250559 26.54254 11.24945 -5.459116      14.56444 
1 1 1 -1  40 31 o 36.98580 8.708684 83.74858       31.00258 57.45000       39.69139 124.9000       49.65039 29.38902 10.67810 41.98269 11.66496 -12.59366      15.81434 
1 1 1 -1  40 32 o 23.53366 10.39530 17.95000       46.99126 0.000000       0.000000 17.95000       46.99126 ?        ?        23.53366 10.39530 ?              ?        
1 1 1 -1  40 33 o 50.23520 7.051320 143.7222       33.71918 159.1000       43.82072 121.4000       52.79588 50.56646 9.191899 39.92883 12.29933 10.63763       15.35462 
1 1 1 -1  40 34 f 32.60255 9.167384 68.59188       30.47037 70.10000       39.10122 66.26000       48.62117 31.54337 10.66193 30.01438 11.62009 1.528996       15.77033 
1 1 1 -1  40 35 o 19.11722 8.272084 9.679145       28.44153 27.72000       36.05971 -20.02000      46.26639 23.17665 9.635807 19.30880 9.150938 3.867847       13.28866 
1 1 1 -1  40 36 o 19.54342 8.373492 12.48771       28.59625 12.65000       36.24204 12.22000       46.54734 20.85592 9.174114 22.22820 10.04215 -1.372280      13.60180 
1 1 1 -1  41 1  o 47.06605 7.057052 122.2429       31.51049 0.000000       0.000000 122.2429       31.51049 ?        ?        47.06605 7.057052 ?              ?        
1 1 1 -1  41 2  o 37.32466 5.798248 74.64309       20.49634 0.000000       0.000000 74.64309       20.49634 ?        ?        37.32466 5.798248 ?              ?        
1 1 1 -1  41 3  o 31.82895 6.679304 56.14817       20.14479 0.000000       0.000000 56.14817       20.14479 ?        ?        31.82895 6.679304 ?              ?        
1 1 1 -1  41 4  o 47.34969 5.262057 117.7609       23.97674 0.000000       0.000000 117.7609       23.97674 ?        ?        47.34969 5.262057 ?              ?        
1 1 1 -1  41 5  o 26.85593 6.943119 40.57289       18.38474 0.000000       0.000000 40.57289       18.38474 ?        ?        26.85593 6.943119 ?              ?        
1 1 1 -1  41 6  o 27.26952 8.779903 43.59198       26.62318 0.000000       0.000000 43.59198       26.62318 ?        ?        27.26952 8.779903 ?              ?        
1 1 1 -1  41 7  o 19.28519 7.311127 16.96786       18.97822 0.000000       0.000000 16.96786       18.97822 ?        ?        19.28519 7.311127 ?              ?        
1 1 1 -1  41 8  o 20.68300 7.384820 21.91889       18.88637 5.260000       34.80318 28.87228       22.48508 20.60125 9.028324 23.07247 8.074084 -2.471216      12.11204 
1 1 1 -1  41 9  o 53.61534 4.477151 148.0923       23.28187 113.5000       41.95254 163.4873       27.98709 42.65393 10.18853 55.89291 5.174309 -13.23898      11.42714 
1 1 1 -1  41 10 o 23.73245 6.892411 31.57137       16.95448 48.35000       38.22487 27.46201       18.91710 28.34447 10.44985 22.35346 7.413886 5.991011       12.81269 
1 1 1 -1  41 11 o 59.38887 3.674322 178.8404       21.25478 222.6000       47.84298 168.0798       23.72457 62.51896 8.001241 57.22349 4.266329 5.295471       9.067603 
1 1 1 -1  41 12 o 29.42865 6.054787 47.51387       16.85898 47.71000       39.00096 47.46880       18.69598 28.11756 10.51932 29.09187 6.703364 -0.9743118     12.47362 
1 1 1 -1  41 13 o 10.88869 5.132339 -13.48179      14.18763 -20.86000      35.26310 -12.05677      15.49728 17.47006 8.189311 11.73754 5.478207 5.732512       9.852694 
1 1 1 -1  41 14 o 18.91511 6.422393 18.75931       14.18873 44.19000       35.51074 13.92799       15.47795 27.16100 10.06151 17.53546 6.612713 9.625547       12.04001 
1 1 1 -1  41 15 o 24.86968 7.559990 35.62445       20.03188 64.82000       35.46629 21.94745       24.27465 31.77646 10.12381 21.30868 8.221052 10.46778       13.04136 
1 1 1 -1  41 16 o 25.47041 6.417941 36.39579       15.99156 83.35000       35.68013 24.59288       17.88891 36.24286 9.816947 21.23881 7.211357 15.00405       12.18097 
1 1 1 -1  41 17 o 23.20990 6.115647 29.99972       14.08602 52.05000       35.86443 25.97788       15.31685 28.70993 10.18425 21.59508 6.619724 7.114853       12.14660 
1 1 1 -1  41 18 o 29.72673 9.042367 54.49822       28.65150 63.47000       36.09229 39.21000       47.11438 31.26481 10.23465 26.78141 11.06338 4.483398       15.07138 
1 1 1 -1  41 19 o 17.97163 8.033316 -1.623415      28.91662 0.4518000      38.50690 -4.307000      43.78897 20.45274 9.196208 20.95585 9.573568 -0.5031166     13.27492 
1 1 1 -1  41 20 o 47.81224 10.75961 149.0000       49.13478 0.000000       0.000000 149.0000       49.13478 ?        ?        47.81224 10.75961 ?              ?        
1 1 1 -1  41 21 o 17.12071 7.713473 -4.056302      27.24494 -16.55000      35.19349 14.63000       43.04062 17.74361 8.272782 22.89122 10.03575 -5.147610      13.00597 
1 1 1 -1  41 22 o 21.53325 8.655105 20.97521       27.90008 37.67000       36.75386 -1.727000      42.85945 25.71017 10.06053 20.95851 9.534839 4.751665       13.86100 
1 1 1 -1  41 23 o 18.26155 8.027337 2.975316       27.70352 16.19000       35.88848 -16.51000      43.57931 21.95730 9.393541 19.60968 9.163567 2.347622       13.12286 
1 1 1 -1  41 24 o 14.00242 6.714684 -28.51203      26.47636 -43.15000      33.77024 -5.161000      42.65272 14.99414 7.285346 20.51050 9.399584 -5.516357      11.89237 
1 1 1 -1  41 25 o 20.56514 8.485037 16.50290       27.66749 21.26000       35.38645 9.021000       44.37838 22.63927 9.488665 22.33866 9.970947 0.3006020      13.76425 
1 1 1 -1  41 26 o 35.20482 8.750296 75.99932       30.02241 96.21000       38.93268 46.35000       47.15538 38.33669 10.19813 27.58602 11.19323 10.75068       15.14233 
1 1 1 -1  41 27 o 28.29735 9.123625 50.15981       28.74181 8.093000       36.67735 117.1000       46.26702 20.83647 9.194771 41.14824 11.19289 -20.31177      14.48532 
1 1 1 -1  41 28 o 18.84592 8.601332 -5.309000      35.23596 -5.309000      35.23596 0.000000       0.000000 18.84592 8.601332 ?        ?        ?              ?        
1 1 1 -1  41 29 o 27.20016 9.253089 46.22911       29.45419 0.1755000      36.83414 127.9000       49.05151 19.83246 8.948952 42.63675 11.49395 -22.80428      14.56690 
1 1 1 -1  41 30 o 24.50717 10.64049 26.64000       47.38591 0.000000       0.000000 26.64000       47.38591 ?        ?        24.50717 10.64049 ?              ?        
1 1 1 -1  41 31 o 20.30834 8.517135 15.63042       28.53893 9.548000       36.02504 25.88000       46.76480 20.68856 9.121768 24.22991 10.54478 -3.541346      13.94271 
1 1 1 -1  41 32 o 36.61387 8.846062 84.67459       31.34560 30.97000       39.70645 173.5000       51.06507 24.11148 10.07459 50.57239 10.65277 -26.46091      14.66216 
1 1 1 -1  41 33 o 25.31568 10.04350 40.24000       37.07977 40.24000       37.07977 0.000000       0.000000 25.31568 10.04350 ?        ?        ?              ?        
1 1 1 -1  41 34 o 26.67650 9.221692 46.64656       29.28559 41.47000       36.79755 55.59000       48.36718 25.42774 10.03123 27.77370 11.31136 -2.345959      15.11862 
1 1 1 -1  42 1  o 57.81309 4.158966 171.3912       23.37792 0.000000       0.000000 171.3912       23.37792 ?        ?        57.81309 4.158966 ?              ?        
1 1 1 -1  42 2  o 20.64432 7.827739 20.65511       21.75728 0.000000       0.000000 20.65511       21.75728 ?        ?        20.64432 7.827739 ?              ?        
1 1 1 -1  42 3  o 50.70667 5.113617 135.1563       25.03412 0.000000       0.000000 135.1563       25.03412 ?        ?        50.70667 5.113617 ?              ?        
1 1 1 -1  42 4  o 40.23289 5.354573 86.07637       20.56381 0.000000       0.000000 86.07637       20.56381 ?        ?        40.23289 5.354573 ?              ?        
1 1 1 -1  42 5  o 53.92165 4.691422 151.1955       24.51509 0.000000       0.000000 151.1955       24.51509 ?        ?        53.92165 4.691422 ?              ?        
1 1 1 -1  42 6  o 37.71170 6.137195 77.70031       21.87611 0.000000       0.000000 77.70031       21.87611 ?        ?        37.71170 6.137195 ?              ?        
1 1 1 -1  42 7  o 37.83352 6.824106 80.08354       24.34180 0.000000       0.000000 80.08354       24.34180 ?        ?        37.83352 6.824106 ?              ?        
1 1 1 -1  42 8  o 51.42345 4.678515 137.7397       23.29161 0.000000       0.000000 137.7397       23.29161 ?        ?        51.42345 4.678515 ?              ?        
1 1 1 -1  42 9  o 26.08910 7.028704 38.93148       18.34963 22.38000       31.32697 47.57626       22.64002 22.42413 9.114211 28.42844 7.868694 -6.004309      12.04098 
1 1 1 -1  42 10 o 19.12900 6.908130 18.46578       16.57947 24.99000       31.73560 16.01672       19.44383 22.96369 9.230592 18.95709 7.345841 4.006605       11.79683 
1 1 1 -1  42 11 o 25.01807 6.642478 35.43992       16.53696 40.03000       32.87475 33.88500       19.13403 26.05967 9.675767 24.27257 7.390679 1.787100       12.17549 
1 1 1 -1  42 12 o 30.40266 5.717820 50.42265       16.39124 55.36000       34.57387 48.99116       18.61637 29.43665 10.02487 29.47733 6.614997 -0.4067993E-01 12.01067 
1 1 1 -1  42 13 o 20.12624 6.612145 22.05896       15.05870 21.03000       33.21412 22.32520       16.89491 22.37112 9.269699 20.36587 7.005783 2.005253       11.61931 
1 1 1 -1  42 14 o 30.58095 5.427996 50.52999       15.65281 28.52000       35.34987 55.89795       17.45753 23.96127 9.702677 32.00642 5.785244 -8.045149      11.29650 
1 1 1 -1  42 15 o 15.52947 6.969446 -4.078559      22.00135 -13.93000      33.79528 3.168000       28.98492 17.69380 8.200735 18.66072 8.206565 -0.9669247     11.60171 
1 1 1 -1  42 16 o 47.68874 4.870645 119.3848       22.41680 95.53000       40.13586 130.2000       27.02483 38.12142 10.44764 49.21535 5.716128 -11.09393      11.90913 
1 1 1 -1  42 17 o 40.25549 4.150693 83.82255       16.12085 52.63000       38.81027 90.32661       17.72204 28.61100 10.53277 41.65956 4.413060 -13.04856      11.41991 
1 1 1 -1  42 18 o 29.56243 11.26946 58.40000       45.24536 0.000000       0.000000 58.40000       45.24536 ?        ?        29.56243 11.26946 ?              ?        
1 1 1 -1  42 19 o 26.48741 9.165613 42.69839       28.93349 47.90000       38.17841 35.68000       44.34731 27.64858 10.39443 25.85908 10.71274 1.789501       14.92672 
1 1 1 -1  42 20 o 42.79092 7.735450 106.4677       31.20764 150.8000       42.14297 52.64000       46.43743 49.80191 8.975249 28.52040 11.26337 21.28151       14.40204 
1 1 1 -1  42 21 o 19.04494 8.211291 7.925776       27.82743 6.261000       36.26381 10.31000       43.39793 20.56344 9.105309 22.29672 9.911904 -1.733276      13.45929 
1 1 1 -1  42 22 o 25.85053 9.031707 40.40605       28.12821 46.07000       36.85126 32.50000       43.53837 27.17502 10.21307 25.22320 10.54508 1.951813       14.68010 
1 1 1 -1  42 23 o 24.88259 8.988602 36.50248       28.07202 29.48000       36.10299 47.24000       44.64264 24.03242 9.778232 27.55278 10.99102 -3.520367      14.71110 
1 1 1 -1  42 24 o 21.24872 8.586031 20.50657       27.61536 -0.7936000     35.13331 54.94000       44.67018 19.36681 8.739269 28.74276 11.13518 -9.375956      14.15511 
1 1 1 -1  42 25 o 16.22714 7.446253 -9.019022      26.88500 -19.80000      34.12119 8.633000       43.66087 16.99841 7.995734 21.98743 9.846625 -4.989021      12.68416 
1 1 1 -1  42 26 o 24.88000 9.102782 36.87990       28.91630 39.59000       36.07592 32.01000       48.35982 25.72092 9.995124 25.37737 10.88144 0.3435478      14.77526 
1 1 1 -1  42 27 o 20.76361 9.059283 11.06000       34.70411 11.06000       34.70411 0.000000       0.000000 20.76361 9.059283 ?        ?        ?              ?        
1 1 1 -1  42 28 o 15.57414 7.257967 -14.07105      27.03935 -36.52000      34.18423 23.45000       44.19420 15.45464 7.466128 23.65248 10.27260 -8.197840      12.69919 
1 1 1 -1  42 29 o 21.81840 9.961744 4.861000       47.32131 0.000000       0.000000 4.861000       47.32131 ?        ?        21.81840 9.961744 ?              ?        
1 1 1 -1  42 30 o 22.08592 8.834466 25.67309       28.92244 47.07000       36.74247 -9.183000      46.89561 26.66948 10.15816 20.31266 9.496569 6.356825       13.90586 
1 1 1 -1  42 31 o 14.61364 6.971476 -23.56846      27.75192 3.738000       35.29508 -67.79000      44.91572 19.48561 8.779123 15.82681 7.830548 3.658802       11.76395 
1 1 1 -1  42 32 o 28.21708 9.290150 53.40837       29.72071 14.27000       37.40830 120.4000       48.94145 21.09824 9.299109 39.29730 11.78902 -18.19906      15.01514 
1 1 1 -1  43 1  o 24.52710 7.500562 34.88456       19.67924 0.000000       0.000000 34.88456       19.67924 ?        ?        24.52710 7.500562 ?              ?        
1 1 1 -1  43 2  o 75.47571 4.219504 293.2215       31.04863 0.000000       0.000000 293.2215       31.04863 ?        ?        75.47571 4.219504 ?              ?        
1 1 1 -1  43 3  o 26.10838 7.408230 39.71488       19.80591 0.000000       0.000000 39.71488       19.80591 ?        ?        26.10838 7.408230 ?              ?        
1 1 1 -1  43 4  o 38.53594 7.451084 85.53995       27.08877 0.000000       0.000000 85.53995       27.08877 ?        ?        38.53594 7.451084 ?              ?        
1 1 1 -1  43 5  o 17.02169 6.965811 9.481109       18.45077 0.000000       0.000000 9.481109       18.45077 ?        ?        17.02169 6.965811 ?              ?        
1 1 1 -1  43 6  o 26.91307 7.019934 41.67356       18.68269 0.000000       0.000000 41.67356       18.68269 ?        ?        26.91307 7.019934 ?              ?        
1 1 1 -1  43 7  o 19.13411 7.136517 17.94710       17.92270 0.000000       0.000000 17.94710       17.92270 ?        ?        19.13411 7.136517 ?              ?        
1 1 1 -1  43 8  o 28.90607 8.143692 50.06914       24.02112 0.000000       0.000000 50.06914       24.02112 ?        ?        28.90607 8.143692 ?              ?        
1 1 1 -1  43 9  o 19.12936 7.143855 17.87034       17.97096 0.000000       0.000000 17.87034       17.97096 ?        ?        19.12936 7.143855 ?              ?        
1 1 1 -1  43 10 o 13.56418 6.222776 -8.962369      18.76052 0.000000       0.000000 -8.962369      18.76052 ?        ?        13.56418 6.222776 ?              ?        
1 1 1 -1  43 11 o 18.62921 7.171559 15.80517       18.44364 0.000000       0.000000 15.80517       18.44364 ?        ?        18.62921 7.171559 ?              ?        
1 1 1 -1  43 12 o 23.91959 6.506589 32.42403       15.63468 72.76000       32.82218 20.58538       17.78166 33.76675 9.521568 19.86597 7.156838 13.90078       11.91136 
1 1 1 -1  43 13 o 27.62139 6.100603 42.55696       16.05304 -12.10000      33.82357 58.44838       18.23803 17.80025 8.234010 32.59266 5.935388 -14.79241      10.15026 
1 1 1 -1  43 14 o 15.18663 6.360260 5.246881       15.88089 17.82000       34.19751 1.789898       17.93171 21.87164 9.256181 15.13324 6.558178 6.738403       11.34401 
1 1 1 -1  43 15 o 23.21272 7.830219 30.95681       21.08939 2.397000       36.41809 45.36647       25.86821 20.08376 8.993593 27.24766 8.642013 -7.163897      12.47273 
1 1 1 -1  43 16 o 26.83370 6.059071 40.20691       15.53666 54.36000       41.10129 37.84742       16.78184 28.72528 10.78801 25.75505 6.620736 2.970232       12.65761 
1 1 1 -1  43 17 o 34.75520 7.535314 70.56311       24.89433 0.000000       0.000000 70.56311       24.89433 ?        ?        34.75520 7.535314 ?              ?        
1 1 1 -1  43 18 o 23.70562 9.010088 31.36705       28.86838 35.60000       37.70434 25.37000       44.87856 25.19266 10.08362 24.30247 10.45243 0.8901901      14.52353 
1 1 1 -1  43 19 o 20.23548 8.432661 15.14352       27.71004 26.81000       36.02193 -1.767000      43.36863 23.51254 9.689464 20.86859 9.531343 2.643950       13.59162 
1 1 1 -1  43 20 f 45.30645 7.286925 117.5588       31.21984 88.81000       40.77319 158.3000       48.53804 35.98374 10.75230 49.22923 10.39929 -13.24548      14.95852 
1 1 1 -1  43 21 o 34.13848 8.618487 71.93951       28.79864 44.09000       36.93929 115.1000       45.98572 26.59439 10.17171 40.52843 11.21307 -13.93404      15.13924 
1 1 1 -1  43 22 o 32.94592 8.823235 67.97725       29.02107 84.34000       37.23363 42.65000       46.32349 35.46235 10.18847 26.63063 10.98255 8.831718       14.98070 
1 1 1 -1  43 23 o 22.85662 8.765045 28.63814       27.47697 21.14000       34.63042 41.38000       45.14372 22.27351 9.364288 26.37193 10.85534 -4.098427      14.33626 
1 1 1 -1  43 24 o 23.23571 8.841118 30.28783       27.81454 21.16000       34.83244 46.35000       46.20639 22.28358 9.381393 27.13236 11.05370 -4.848776      14.49809 
1 1 1 -1  43 25 o 17.18334 8.011695 -14.02000      33.00939 -14.02000      33.00939 0.000000       0.000000 17.18334 8.011695 ?        ?        ?              ?        
1 1 1 -1  43 26 o 17.88577 7.919269 2.867413       27.42848 -10.90000      34.62249 26.07000       44.94696 17.85370 8.283706 23.91453 10.37324 -6.060831      13.27493 
1 1 1 -1  43 27 o 19.26108 9.064026 -15.30000      43.93311 0.000000       0.000000 -15.30000      43.93311 ?        ?        19.26108 9.064026 ?              ?        
1 1 1 -1  43 28 o 14.39968 6.865257 -22.98816      26.82833 -13.83000      33.74949 -38.71000      44.21958 17.19243 8.043810 17.42691 8.436489 -0.2344875     11.65664 
1 1 1 -1  43 29 o 22.92599 8.843416 30.85875       28.08546 23.16000       35.78354 43.21000       45.32404 22.20097 9.434975 25.82705 10.77548 -3.626080      14.32235 
1 1 1 -1  44 1  o 36.91126 6.651951 76.61680       23.14945 0.000000       0.000000 76.61680       23.14945 ?        ?        36.91126 6.651951 ?              ?        
1 1 1 -1  44 2  o 36.99889 5.726762 74.51530       20.07035 0.000000       0.000000 74.51530       20.07035 ?        ?        36.99889 5.726762 ?              ?        
1 1 1 -1  44 3  o 37.48944 6.582013 78.81292       23.27246 0.000000       0.000000 78.81292       23.27246 ?        ?        37.48944 6.582013 ?              ?        
1 1 1 -1  44 4  o 13.63270 6.213290 -7.124086      18.30403 0.000000       0.000000 -7.124086      18.30403 ?        ?        13.63270 6.213290 ?              ?        
1 1 1 -1  44 5  o 40.88609 5.311234 89.57542       20.75391 0.000000       0.000000 89.57542       20.75391 ?        ?        40.88609 5.311234 ?              ?        
1 1 1 -1  44 6  o 18.87554 7.213620 16.85870       18.56852 0.000000       0.000000 16.85870       18.56852 ?        ?        18.87554 7.213620 ?              ?        
1 1 1 -1  44 7  o 18.41416 7.616499 11.52192       22.36844 0.000000       0.000000 11.52192       22.36844 ?        ?        18.41416 7.616499 ?              ?        
1 1 1 -1  44 8  o 18.97911 7.860085 12.61642       23.86340 0.000000       0.000000 12.61642       23.86340 ?        ?        18.97911 7.860085 ?              ?        
1 1 1 -1  44 9  o 20.97926 7.225808 24.26320       17.97461 0.000000       0.000000 24.26320       17.97461 ?        ?        20.97926 7.225808 ?              ?        
1 1 1 -1  44 10 o 15.71202 6.828743 2.124316       19.55774 0.000000       0.000000 2.124316       19.55774 ?        ?        15.71202 6.828743 ?              ?        
1 1 1 -1  44 11 o 19.76549 6.955503 20.86841       16.70206 0.000000       0.000000 20.86841       16.70206 ?        ?        19.76549 6.955503 ?              ?        
1 1 1 -1  44 12 o 14.84213 6.298486 3.889662       15.90742 0.000000       0.000000 3.889662       15.90742 ?        ?        14.84213 6.298486 ?              ?        
1 1 1 -1  44 13 o 27.19683 6.855011 42.61967       18.23992 0.000000       0.000000 42.61967       18.23992 ?        ?        27.19683 6.855011 ?              ?        
1 1 1 -1  44 14 o 34.46378 5.373177 64.17530       17.53500 0.000000       0.000000 64.17530       17.53500 ?        ?        34.46378 5.373177 ?              ?        
1 1 1 -1  44 15 o 30.24953 8.702776 56.91698       27.14872 0.000000       0.000000 56.91698       27.14872 ?        ?        30.24953 8.702776 ?              ?        
1 1 1 -1  44 16 o 23.33659 6.470979 31.00089       15.29604 46.81000       34.46037 27.12186       17.06977 27.14414 9.936208 21.84938 7.029881 5.294764       12.17158 
1 1 1 -1  44 17 o 23.75427 8.812750 32.63822       27.26177 43.16000       34.27194 14.51000       44.98542 26.29799 9.856361 22.77235 10.10926 3.525640       14.11896 
1 1 1 -1  44 18 f 15.11422 7.061567 -15.12663      25.86016 -13.09000      32.25733 -18.79000      43.26256 17.15207 7.971023 19.07512 8.982115 -1.923058      12.00898 
1 1 1 -1  44 19 o 20.93372 8.484997 20.05336       27.06401 21.91000       34.19447 16.94000       44.27987 22.27948 9.331974 22.90238 10.10480 -0.6229000     13.75473 
1 1 1 -1  44 20 o 30.12440 8.942844 57.58934       28.27705 65.06000       35.65225 44.92000       46.42846 31.01035 10.17326 26.86422 11.02807 4.146124       15.00378 
1 1 1 -1  44 21 o 25.70315 8.959883 41.02029       27.67370 47.85000       34.43745 28.57000       46.49644 27.14068 9.933228 24.51259 10.59162 2.628086       14.52072 
1 1 1 -1  44 22 o 18.27228 7.982344 5.951440       27.01688 0.8709000      33.68705 15.11000       45.22948 19.01521 8.571139 22.62155 10.08370 -3.606344      13.23425 
1 1 1 -1  44 23 o 19.82223 8.821620 6.331000       34.47237 6.331000       34.47237 0.000000       0.000000 19.82223 8.821620 ?        ?        ?              ?        
1 1 1 -1  44 24 o 17.53050 7.843376 0.7802946      27.63346 24.73000       34.19618 -44.29000      46.91079 22.42380 9.357943 17.65052 8.578444 4.773275       12.69491 
1 1 1 -1  44 25 o 16.48756 7.529930 -5.278229      27.06222 -30.18000      34.14948 36.76000       44.37018 15.76424 7.576807 24.91405 10.54355 -9.149807      12.98362 
1 1 1 -1  44 26 o 26.72875 11.05341 50.16000       47.09770 0.000000       0.000000 50.16000       47.09770 ?        ?        26.72875 11.05341 ?              ?        
1 1 1 -1  44 27 o 24.37630 8.922979 37.92743       27.79057 29.13000       35.03749 52.85000       45.63278 22.90861 9.509077 26.99114 10.98910 -4.082533      14.53213 
1 1 1 -1  45 1  o 23.15719 7.884837 31.10171       21.38812 0.000000       0.000000 31.10171       21.38812 ?        ?        23.15719 7.884837 ?              ?        
1 1 1 -1  45 2  o 36.67764 6.838844 76.55322       23.64921 0.000000       0.000000 76.55322       23.64921 ?        ?        36.67764 6.838844 ?              ?        
1 1 1 -1  45 3  o 23.33371 7.457838 31.66435       19.23445 0.000000       0.000000 31.66435       19.23445 ?        ?        23.33371 7.457838 ?              ?        
1 1 1 -1  45 4  o 28.24818 7.040914 46.36930       19.39844 0.000000       0.000000 46.36930       19.39844 ?        ?        28.24818 7.040914 ?              ?        
1 1 1 -1  45 5  o 35.30780 6.035385 68.95256       20.10962 0.000000       0.000000 68.95256       20.10962 ?        ?        35.30780 6.035385 ?              ?        
1 1 1 -1  45 6  o 13.72106 6.232103 -6.167710      18.21785 0.000000       0.000000 -6.167710      18.21785 ?        ?        13.72106 6.232103 ?              ?        
1 1 1 -1  45 7  o 15.48526 6.627782 3.870111       17.88116 0.000000       0.000000 3.870111       17.88116 ?        ?        15.48526 6.627782 ?              ?        
1 1 1 -1  45 8  o 16.54696 6.736784 9.440682       17.14948 0.000000       0.000000 9.440682       17.14948 ?        ?        16.54696 6.736784 ?              ?        
1 1 1 -1  45 9  o 28.81425 8.279719 50.87345       24.58764 0.000000       0.000000 50.87345       24.58764 ?        ?        28.81425 8.279719 ?              ?        
1 1 1 -1  45 10 o 32.59180 7.837330 63.55278       24.69434 0.000000       0.000000 63.55278       24.69434 ?        ?        32.59180 7.837330 ?              ?        
1 1 1 -1  45 11 o 27.26762 8.874726 46.55000       27.15718 0.000000       0.000000 46.55000       27.15718 ?        ?        27.26762 8.874726 ?              ?        
1 1 1 -1  45 12 o 13.29949 5.989762 -4.328149      16.41222 0.000000       0.000000 -4.328149      16.41222 ?        ?        13.29949 5.989762 ?              ?        
1 1 1 -1  45 13 o 18.89135 7.167212 17.54247       18.24667 0.000000       0.000000 17.54247       18.24667 ?        ?        18.89135 7.167212 ?              ?        
1 1 1 -1  45 14 o 20.26185 7.213609 22.35255       18.00814 0.000000       0.000000 22.35255       18.00814 ?        ?        20.26185 7.213609 ?              ?        
1 1 1 -1  45 15 o 16.46718 6.568280 10.58717       15.94179 0.000000       0.000000 10.58717       15.94179 ?        ?        16.46718 6.568280 ?              ?        
1 1 1 -1  45 16 o 22.12408 7.153574 28.19889       17.66155 0.000000       0.000000 28.19889       17.66155 ?        ?        22.12408 7.153574 ?              ?        
1 1 1 -1  45 17 o 34.76559 9.062655 77.29807       31.15005 0.000000       0.000000 77.29807       31.15005 ?        ?        34.76559 9.062655 ?              ?        
1 1 1 -1  45 18 o 20.01640 8.481293 14.45805       28.76944 0.000000       0.000000 14.45805       28.76944 ?        ?        20.01640 8.481293 ?              ?        
1 1 1 -1  45 19 o 16.65900 7.676796 -8.709949      28.99821 0.000000       0.000000 -8.709949      28.99821 ?        ?        16.65900 7.676796 ?              ?        
1 1 1 -1  45 20 o 24.78877 9.240891 38.44457       30.04354 0.000000       0.000000 38.44457       30.04354 ?        ?        24.78877 9.240891 ?              ?        
1 1 1 -1  45 21 o 22.50500 10.09420 16.18000       46.08002 0.000000       0.000000 16.18000       46.08002 ?        ?        22.50500 10.09420 ?              ?        
1 1 1 -1  45 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 -1  45 23 f 22.37243 9.987087 18.48000       44.53463 0.000000       0.000000 18.48000       44.53463 ?        ?        22.37243 9.987087 ?              ?        
1 1 1 -1  45 24 o 27.07002 11.01700 54.11000       45.84394 0.000000       0.000000 54.11000       45.84394 ?        ?        27.07002 11.01700 ?              ?        
1 1 1 -1  46 1  o 28.33227 8.059588 49.19341       23.41222 0.000000       0.000000 49.19341       23.41222 ?        ?        28.33227 8.059588 ?              ?        
1 1 1 -1  46 2  o 25.79979 7.949472 40.41861       22.05340 0.000000       0.000000 40.41861       22.05340 ?        ?        25.79979 7.949472 ?              ?        
1 1 1 -1  46 3  o 22.26209 7.437619 28.69028       19.03122 0.000000       0.000000 28.69028       19.03122 ?        ?        22.26209 7.437619 ?              ?        
1 1 1 -1  46 4  o 34.48436 6.236812 66.73846       20.27716 0.000000       0.000000 66.73846       20.27716 ?        ?        34.48436 6.236812 ?              ?        
1 1 1 -1  46 5  o 17.27378 7.021893 11.15930       18.59785 0.000000       0.000000 11.15930       18.59785 ?        ?        17.27378 7.021893 ?              ?        
1 1 1 -1  46 6  o 18.29241 7.104506 15.49800       18.21899 0.000000       0.000000 15.49800       18.21899 ?        ?        18.29241 7.104506 ?              ?        
1 1 1 -1  46 7  o 19.77120 7.174962 20.88034       17.91309 0.000000       0.000000 20.88034       17.91309 ?        ?        19.77120 7.174962 ?              ?        
1 1 1 -1  46 8  o 44.20369 4.768750 103.5469       20.30718 0.000000       0.000000 103.5469       20.30718 ?        ?        44.20369 4.768750 ?              ?        
1 1 1 -1  46 9  o 27.81337 8.467774 48.32049       25.11852 0.000000       0.000000 48.32049       25.11852 ?        ?        27.81337 8.467774 ?              ?        
1 1 1 -1  46 10 o 14.89633 6.571199 -0.1622730     18.71745 0.000000       0.000000 -0.1622730     18.71745 ?        ?        14.89633 6.571199 ?              ?        
1 1 1 -1  46 11 o 9.991748 4.950950 -37.72118      18.20357 0.000000       0.000000 -37.72118      18.20357 ?        ?        9.991748 4.950950 ?              ?        
1 1 1 -1  46 12 o 16.66531 6.960675 8.335896       18.94358 0.000000       0.000000 8.335896       18.94358 ?        ?        16.66531 6.960675 ?              ?        
1 1 1 -1  46 13 o 18.72214 6.982634 17.92769       17.15783 0.000000       0.000000 17.92769       17.15783 ?        ?        18.72214 6.982634 ?              ?        
1 1 1 -1  46 14 o 22.13912 7.524874 28.68048       19.47873 0.000000       0.000000 28.68048       19.47873 ?        ?        22.13912 7.524874 ?              ?        
1 1 1 -1  46 15 o 24.22033 6.880171 34.57340       17.07344 0.000000       0.000000 34.57340       17.07344 ?        ?        24.22033 6.880171 ?              ?        
1 1 1 -1  46 16 o 28.14072 9.511940 53.37400       31.12125 0.000000       0.000000 53.37400       31.12125 ?        ?        28.14072 9.511940 ?              ?        
1 1 1 -1  46 17 o 17.21028 7.854156 -3.918034      29.37217 0.000000       0.000000 -3.918034      29.37217 ?        ?        17.21028 7.854156 ?              ?        
1 1 1 -1  46 18 o 27.48022 9.432423 51.27541       30.62094 0.000000       0.000000 51.27541       30.62094 ?        ?        27.48022 9.432423 ?              ?        
1 1 1 -1  46 19 o 22.44320 8.982175 28.98460       29.91398 0.000000       0.000000 28.98460       29.91398 ?        ?        22.44320 8.982175 ?              ?        
1 1 1 -1  46 20 f 30.94774 10.99758 73.92000       41.83805 0.000000       0.000000 73.92000       41.83805 ?        ?        30.94774 10.99758 ?              ?        
1 1 1 -1  47 1  o 23.66415 7.350822 33.40036       18.81259 0.000000       0.000000 33.40036       18.81259 ?        ?        23.66415 7.350822 ?              ?        
1 1 1 -1  47 2  o 17.78130 7.285497 12.13677       20.21389 0.000000       0.000000 12.13677       20.21389 ?        ?        17.78130 7.285497 ?              ?        
1 1 1 -1  47 3  o 27.68867 7.651571 46.71767       21.42705 0.000000       0.000000 46.71767       21.42705 ?        ?        27.68867 7.651571 ?              ?        
1 1 1 -1  47 4  o 14.43057 6.406475 -1.063736      18.06893 0.000000       0.000000 -1.063736      18.06893 ?        ?        14.43057 6.406475 ?              ?        
1 1 1 -1  47 5  o 31.48834 6.361784 56.62979       18.93244 0.000000       0.000000 56.62979       18.93244 ?        ?        31.48834 6.361784 ?              ?        
1 1 1 -1  47 6  o 39.61612 5.206635 85.04001       19.70171 0.000000       0.000000 85.04001       19.70171 ?        ?        39.61612 5.206635 ?              ?        
1 1 1 -1  47 7  o 18.42236 7.029223 16.83598       17.61317 0.000000       0.000000 16.83598       17.61317 ?        ?        18.42236 7.029223 ?              ?        
1 1 1 -1  47 8  o 29.37837 7.151900 51.42127       20.37024 0.000000       0.000000 51.42127       20.37024 ?        ?        29.37837 7.151900 ?              ?        
1 1 1 -1  47 9  o 16.61290 6.838603 9.730162       17.91727 0.000000       0.000000 9.730162       17.91727 ?        ?        16.61290 6.838603 ?              ?        
1 1 1 -1  47 10 o 18.41178 7.699754 12.51139       23.22330 0.000000       0.000000 12.51139       23.22330 ?        ?        18.41178 7.699754 ?              ?        
1 1 1 -1  47 11 o 18.91919 7.752635 15.42861       22.89258 0.000000       0.000000 15.42861       22.89258 ?        ?        18.91919 7.752635 ?              ?        
1 1 1 -1  47 12 o 19.34055 7.065885 20.41691       17.41376 0.000000       0.000000 20.41691       17.41376 ?        ?        19.34055 7.065885 ?              ?        
1 1 1 -1  47 13 o 23.01730 7.102573 31.81340       17.59701 0.000000       0.000000 31.81340       17.59701 ?        ?        23.01730 7.102573 ?              ?        
1 1 1 -1  47 14 o 13.89658 6.295086 -4.150380      18.43830 0.000000       0.000000 -4.150380      18.43830 ?        ?        13.89658 6.295086 ?              ?        
1 1 1 -1  47 15 o 17.63910 7.959149 0.8974474      29.13564 0.000000       0.000000 0.8974474      29.13564 ?        ?        17.63910 7.959149 ?              ?        
1 1 1 -1  47 16 o 23.87766 9.179244 36.51176       30.18634 0.000000       0.000000 36.51176       30.18634 ?        ?        23.87766 9.179244 ?              ?        
1 1 1 -1  48 1  o 20.35021 7.942558 22.29760       22.85914 0.000000       0.000000 22.29760       22.85914 ?        ?        20.35021 7.942558 ?              ?        
1 1 1 -1  48 2  o 14.16954 6.327043 -1.471233      17.88692 0.000000       0.000000 -1.471233      17.88692 ?        ?        14.16954 6.327043 ?              ?        
1 1 1 -1  48 3  o 16.70537 7.056397 8.547648       19.81260 0.000000       0.000000 8.547648       19.81260 ?        ?        16.70537 7.056397 ?              ?        
1 1 1 -1  48 4  o 19.92938 7.535991 21.84142       20.13314 0.000000       0.000000 21.84142       20.13314 ?        ?        19.92938 7.535991 ?              ?        
1 1 1 -1  48 5  o 29.07232 6.772332 50.19775       18.91224 0.000000       0.000000 50.19775       18.91224 ?        ?        29.07232 6.772332 ?              ?        
1 1 1 -1  48 6  o 21.09895 7.162700 26.36049       17.64825 0.000000       0.000000 26.36049       17.64825 ?        ?        21.09895 7.162700 ?              ?        
1 1 1 -1  48 7  o 14.70940 6.489590 0.9498225      18.26110 0.000000       0.000000 0.9498225      18.26110 ?        ?        14.70940 6.489590 ?              ?        
1 1 1 -1  48 8  f 21.78046 7.270703 28.48878       18.18720 0.000000       0.000000 28.48878       18.18720 ?        ?        21.78046 7.270703 ?              ?        
1 1 1 -1  48 9  o 14.11863 6.451501 -5.781958      19.90050 0.000000       0.000000 -5.781958      19.90050 ?        ?        14.11863 6.451501 ?              ?        
1 1 1 -1  48 10 o 17.36220 7.849574 0.6392637      28.50178 0.000000       0.000000 0.6392637      28.50178 ?        ?        17.36220 7.849574 ?              ?        
1 1 1 0   0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   0  2  o 409.2055 15.51537 8257.000       619.4236 8257.000       619.4236 8257.000       619.4236 409.2055 15.51537 409.2055 15.51537 0.000000       0.000000 
1 1 1 0   0  3  o 119.6646 3.951236 703.2586       46.16679 703.2586       46.16679 703.2586       46.16679 119.6646 3.951236 119.6646 3.951236 0.000000       0.000000 
1 1 1 0   0  4  o 705.4011 18.56620 24516.29       1279.926 24516.29       1279.926 24516.29       1279.926 705.4011 18.56620 705.4011 18.56620 0.000000       0.000000 
1 1 1 0   0  5  o 27.25504 3.766654 38.38920       9.502305 38.38920       9.502305 38.38920       9.502305 27.25504 3.766654 27.25504 3.766654 0.000000       0.000000 
1 1 1 0   0  6  o 558.4117 14.74819 15337.46       804.8488 15337.46       804.8488 15337.46       804.8488 558.4117 14.74819 558.4117 14.74819 0.000000       0.000000 
1 1 1 0   0  7  o 74.29483 3.364877 271.8440       24.35537 271.8440       24.35537 271.8440       24.35537 74.29483 3.364877 74.29483 3.364877 0.000000       0.000000 
1 1 1 0   0  8  o 243.3696 6.799660 2907.621       161.6935 2907.621       161.6935 2907.621       161.6935 243.3696 6.799660 243.3696 6.799660 0.000000       0.000000 
1 1 1 0   0  9  o 93.80838 3.697233 432.7986       33.82880 432.7986       33.82880 432.7986       33.82880 93.80838 3.697233 93.80838 3.697233 0.000000       0.000000 
1 1 1 0   0  10 o 249.4502 6.966777 3056.015       169.8069 3056.015       169.8069 3056.015       169.8069 249.4502 6.966777 249.4502 6.966777 0.000000       0.000000 
1 1 1 0   0  11 o 151.7480 4.757212 1130.999       70.50391 1130.999       70.50391 1130.999       70.50391 151.7480 4.757212 151.7480 4.757212 0.000000       0.000000 
1 1 1 0   0  12 o 120.1847 4.200327 709.8301       49.27569 709.8301       49.27569 709.8301       49.27569 120.1847 4.200327 120.1847 4.200327 0.000000       0.000000 
1 1 1 0   0  13 o 207.4073 5.999842 2112.160       121.5756 2112.160       121.5756 2112.160       121.5756 207.4073 5.999842 207.4073 5.999842 0.000000       0.000000 
1 1 1 0   0  14 o 74.94404 3.974084 277.2620       28.96443 277.2620       28.96443 277.2620       28.96443 74.94404 3.974084 74.94404 3.974084 0.000000       0.000000 
1 1 1 0   0  15 f 213.1101 6.158955 2229.303       128.2317 2229.303       128.2317 2229.303       128.2317 213.1101 6.158955 213.1101 6.158955 0.000000       0.000000 
1 1 1 0   0  16 o 413.9415 11.07479 8415.431       447.9993 8415.431       447.9993 8415.431       447.9993 413.9415 11.07479 413.9415 11.07479 0.000000       0.000000 
1 1 1 0   0  17 o 140.3283 4.741553 967.2977       64.95996 967.2977       64.95996 967.2977       64.95996 140.3283 4.741553 140.3283 4.741553 0.000000       0.000000 
1 1 1 0   0  18 o 491.3207 13.04835 11863.18       626.5185 11863.18       626.5185 11863.18       626.5185 491.3207 13.04835 491.3207 13.04835 0.000000       0.000000 
1 1 1 0   0  19 o 225.0081 9.233420 2493.000       202.5805 2493.000       202.5805 2493.000       202.5805 225.0081 9.233420 225.0081 9.233420 0.000000       0.000000 
1 1 1 0   0  20 o 296.3500 11.62166 4326.000       335.9360 4326.000       335.9360 4326.000       335.9360 296.3500 11.62166 296.3500 11.62166 0.000000       0.000000 
1 1 1 0   0  21 o 351.3151 9.531017 6062.474       327.2043 6062.474       327.2043 6062.474       327.2043 351.3151 9.531017 351.3151 9.531017 0.000000       0.000000 
1 1 1 0   0  22 o 305.9094 8.424553 4596.513       251.8260 4596.513       251.8260 4596.513       251.8260 305.9094 8.424553 305.9094 8.424553 0.000000       0.000000 
1 1 1 0   0  23 o 209.0214 8.735662 2153.000       178.0166 2153.000       178.0166 2153.000       178.0166 209.0214 8.735662 209.0214 8.735662 0.000000       0.000000 
1 1 1 0   0  24 o 333.4030 9.113714 5463.993       296.9182 5463.993       296.9182 5463.993       296.9182 333.4030 9.113714 333.4030 9.113714 0.000000       0.000000 
1 1 1 0   0  25 o 69.99693 4.890559 243.4532       33.12524 243.4532       33.12524 243.4532       33.12524 69.99693 4.890559 69.99693 4.890559 0.000000       0.000000 
1 1 1 0   0  26 o 515.9054 19.65382 13250.00       989.2079 13250.00       989.2079 13250.00       989.2079 515.9054 19.65382 515.9054 19.65382 0.000000       0.000000 
1 1 1 0   0  27 o 357.8143 9.732166 6301.708       340.2879 6301.708       340.2879 6301.708       340.2879 357.8143 9.732166 357.8143 9.732166 -0.000000      0.000000 
1 1 1 0   0  28 o 109.4563 4.615157 589.9829       49.24587 589.9829       49.24587 589.9829       49.24587 109.4563 4.615157 109.4563 4.615157 0.000000       0.000000 
1 1 1 0   0  29 o 170.0076 5.423589 1420.697       90.04474 1420.697       90.04474 1420.697       90.04474 170.0076 5.423589 170.0076 5.423589 -0.000000      0.000000 
1 1 1 0   0  30 o 264.6755 7.474242 3445.874       193.2872 3445.874       193.2872 3445.874       193.2872 264.6755 7.474242 264.6755 7.474242 -0.000000      0.000000 
1 1 1 0   0  31 o 137.1888 4.918560 925.7972       65.85564 925.7972       65.85564 925.7972       65.85564 137.1888 4.918560 137.1888 4.918560 -0.000000      0.000000 
1 1 1 0   0  32 o 163.2965 5.362864 1311.399       85.50989 1311.399       85.50989 1311.399       85.50989 163.2965 5.362864 163.2965 5.362864 0.000000       0.000000 
1 1 1 0   0  33 o 127.6002 4.917112 801.6021       61.20661 801.6021       61.20661 801.6021       61.20661 127.6002 4.917112 127.6002 4.917112 -0.000000      0.000000 
1 1 1 0   0  34 o 211.7255 6.348489 2206.167       131.3000 2206.167       131.3000 2206.167       131.3000 211.7255 6.348489 211.7255 6.348489 -0.000000      0.000000 
1 1 1 0   0  35 o 95.75259 4.948687 453.2009       46.09734 453.2009       46.09734 453.2009       46.09734 95.75259 4.948687 95.75259 4.948687 0.000000       0.000000 
1 1 1 0   0  36 o 112.2800 4.912633 621.9676       53.75538 621.9676       53.75538 621.9676       53.75538 112.2800 4.912633 112.2800 4.912633 0.000000       0.000000 
1 1 1 0   0  37 o 93.33965 4.993965 431.2650       45.32631 431.2650       45.32631 431.2650       45.32631 93.33965 4.993965 93.33965 4.993965 -0.000000      0.000000 
1 1 1 0   0  38 o 287.1159 11.65205 4131.000       326.2373 4131.000       326.2373 4131.000       326.2373 287.1159 11.65205 287.1159 11.65205 -0.000000      0.000000 
1 1 1 0   0  39 o 103.3484 7.210102 534.8000       72.10776 534.8000       72.10776 534.8000       72.10776 103.3484 7.210102 103.3484 7.210102 0.000000       0.000000 
1 1 1 0   0  40 o 95.54579 5.036242 452.7089       46.79974 452.7089       46.79974 452.7089       46.79974 95.54579 5.036242 95.54579 5.036242 -0.000000      0.000000 
1 1 1 0   0  41 o 57.82520 9.467562 179.1000       49.27597 179.1000       49.27597 179.1000       49.27597 57.82520 9.467562 57.82520 9.467562 -0.000000      0.000000 
1 1 1 0   0  42 o 112.0020 7.091252 629.3000       77.01862 629.3000       77.01862 629.3000       77.01862 112.0020 7.091252 112.0020 7.091252 -0.000000      0.000000 
1 1 1 0   0  43 o 45.00031 8.617709 111.0594       33.92939 111.0594       33.92939 111.0594       33.92939 45.00031 8.617709 45.00031 8.617709 0.000000       0.000000 
1 1 1 0   0  44 o 73.07716 5.724164 268.8369       40.35086 268.8369       40.35086 268.8369       40.35086 73.07716 5.724164 73.07716 5.724164 0.000000       0.000000 
1 1 1 0   0  45 o 99.81425 5.061102 495.6562       49.15585 495.6562       49.15585 495.6562       49.15585 99.81425 5.061102 99.81425 5.061102 -0.000000      0.000000 
1 1 1 0   0  46 o 54.16214 7.126127 153.4100       35.96437 153.4100       35.96437 153.4100       35.96437 54.16214 7.126127 54.16214 7.126127 -0.000000      0.000000 
1 1 1 0   0  47 o 46.26834 8.832157 118.3978       35.77351 118.3978       35.77351 118.3978       35.77351 46.26834 8.832157 46.26834 8.832157 -0.000000      0.000000 
1 1 1 0   0  48 o 75.03790 5.645973 284.5520       40.91646 284.5520       40.91646 284.5520       40.91646 75.03790 5.645973 75.03790 5.645973 0.000000       0.000000 
1 1 1 0   0  49 o 60.44025 9.453886 199.4000       51.84932 199.4000       51.84932 199.4000       51.84932 60.44025 9.453886 60.44025 9.453886 -0.000000      0.000000 
1 1 1 0   0  50 f 48.84885 7.055421 127.0574       31.69058 127.0574       31.69058 127.0574       31.69058 48.84885 7.055421 48.84885 7.055421 -0.000000      0.000000 
1 1 1 0   0  51 o 36.04755 9.799457 79.15229       29.88406 79.15229       29.88406 79.15229       29.88406 36.04755 9.799457 36.04755 9.799457 -0.000000      0.000000 
1 1 1 0   0  52 f 68.93782 5.332397 241.2256       35.47371 241.2256       35.47371 241.2256       35.47371 68.93782 5.332397 68.93782 5.332397 0.000000       0.000000 
1 1 1 0   0  53 o 65.44772 7.647286 226.6000       47.24352 226.6000       47.24352 226.6000       47.24352 65.44772 7.647286 65.44772 7.647286 -0.000000      0.000000 
1 1 1 0   0  54 o 11.12969 7.819549 -32.20000      32.82119 -32.20000      32.82119 -32.20000      32.82119 11.12969 7.819549 11.12969 7.819549 -0.000000      0.000000 
1 1 1 0   0  55 o 32.67869 13.96973 83.45000       45.57394 83.45000       45.57394 83.45000       45.57394 32.67869 13.96973 32.67869 13.96973 0.000000       0.000000 
1 1 1 0   0  56 o 15.13696 9.352114 11.44908       27.28543 11.44908       27.28543 11.44908       27.28543 15.13696 9.352114 15.13696 9.352114 -0.000000      0.000000 
1 1 1 0   0  57 o 22.24955 12.21246 40.38000       38.25554 40.38000       38.25554 40.38000       38.25554 22.24955 12.21246 22.24955 12.21246 0.000000       0.000000 
1 1 1 0   0  58 o 19.07329 10.39779 28.56244       27.53340 28.56244       27.53340 28.56244       27.53340 19.07329 10.39779 19.07329 10.39779 -0.000000      0.000000 
1 1 1 0   0  59 o 22.56842 10.96953 40.61616       28.41487 40.61616       28.41487 40.61616       28.41487 22.56842 10.96953 22.56842 10.96953 0.000000       0.000000 
1 1 1 0   0  60 f 44.76949 7.987969 112.0758       31.68684 112.0758       31.68684 112.0758       31.68684 44.76949 7.987969 44.76949 7.987969 0.000000       0.000000 
1 1 1 0   0  61 o 32.53084 10.31451 69.60104       28.88767 69.60104       28.88767 69.60104       28.88767 32.53084 10.31451 32.53084 10.31451 -0.000000      0.000000 
1 1 1 0   0  62 o 33.20664 10.30424 72.29702       29.33329 72.29702       29.33329 72.29702       29.33329 33.20664 10.30424 33.20664 10.30424 -0.000000      0.000000 
1 1 1 0   0  63 o 20.81254 10.65278 35.56961       27.46485 35.56961       27.46485 35.56961       27.46485 20.81254 10.65278 20.81254 10.65278 -0.000000      0.000000 
1 1 1 0   1  1  o 593.5736 22.33743 17500.00       1295.503 0.000000       0.000000 17500.00       1295.503 ?        ?        593.5736 22.33743 ?              ?        
1 1 1 0   1  2  o 278.4469 7.618353 3803.343       207.4442 3825.000       294.4453 3782.000       292.3073 278.9142 10.80563 277.3418 10.78816 1.572449       15.26912 
1 1 1 0   1  3  o 230.7970 5.261292 2608.923       118.8581 2577.455       144.4132 2675.000       209.2642 229.2680 6.441514 233.3440 9.179951 -4.076019      11.21448 
1 1 1 0   1  4  o 207.2786 4.808924 2104.051       97.56830 2074.738       118.4234 2166.000       172.1558 205.7137 5.887283 210.0074 8.391819 -4.293701      10.25099 
1 1 1 0   1  5  o 374.7265 7.077072 6881.619       259.5818 6987.220       370.9706 6780.310       363.3561 377.1990 10.05658 371.5753 9.999408 5.623657       14.18178 
1 1 1 0   1  6  o 180.3874 3.733286 1593.131       65.91796 1578.969       92.74309 1607.589       93.70856 179.4725 5.285069 181.0928 5.292222 -1.620209      7.479276 
1 1 1 0   1  7  o 163.3671 3.474041 1306.633       55.55278 1348.165       79.94258 1267.847       77.25340 165.8415 4.930163 160.8219 4.913330 5.019562       6.960411 
1 1 1 0   1  8  o 229.3755 4.553993 2576.667       102.2458 2577.651       144.5731 2575.682       144.6217 229.2526 6.449096 229.1646 6.453756 0.8801270E-01  9.123694 
1 1 1 0   1  9  o 67.87545 2.456075 225.8240       16.29086 223.1812       22.93348 228.5160       23.14549 67.42332 3.486835 68.22710 3.477266 -0.8037720     4.924368 
1 1 1 0   1  10 o 81.51204 2.545616 325.5963       20.28561 329.8584       28.73329 321.3608       28.64330 81.99268 3.588867 80.92549 3.625229 1.067184       5.101201 
1 1 1 0   1  11 o 366.4815 6.952937 6590.513       249.4173 6574.207       352.1440 6606.928       353.3177 365.4150 9.854265 366.3220 9.862600 -0.9070129     13.94193 
1 1 1 0   1  12 o 170.6701 3.639873 1426.524       60.80647 1405.471       85.18739 1448.393       86.82259 169.2719 5.147414 171.8380 5.167744 -2.566101      7.293932 
1 1 1 0   1  13 o 439.4535 8.258077 9477.151       355.2205 9368.151       498.2710 9589.802       506.5465 436.1756 11.68125 441.2960 11.73732 -5.120453      16.55947 
1 1 1 0   1  14 o 318.6603 6.113737 4975.292       190.6957 5030.881       271.6943 4921.318       267.7185 320.1370 8.678392 316.6328 8.646156 3.504181       12.25033 
1 1 1 0   1  15 o 350.6799 6.679945 6025.120       229.2926 6092.674       326.7355 5959.567       321.8570 352.3213 9.483012 348.4526 9.445254 3.868622       13.38433 
1 1 1 0   1  16 o 274.2570 5.360141 3683.578       143.8931 3651.073       202.3561 3716.826       204.6547 272.8517 7.584113 275.2982 7.602002 -2.446503      10.73821 
1 1 1 0   1  17 o 787.2009 14.58857 30475.19       1124.099 30669.99       1596.886 30283.86       1582.642 787.5144 20.73420 782.5593 20.67949 4.955078       29.28393 
1 1 1 0   1  18 o 530.7794 11.45045 13831.38       594.8984 13579.05       718.8049 14380.00       1059.884 525.3268 13.99143 539.0811 20.12152 -13.75427      24.50786 
1 1 1 0   1  19 o 557.2507 12.01125 15253.70       655.1566 14904.03       789.0308 16030.00       1175.652 550.1391 14.66570 568.6840 21.15727 -18.54486      25.74321 
1 1 1 0   1  20 o 307.5693 6.884833 4635.923       207.2730 4805.000       367.4943 4557.045       251.0078 312.4749 12.03767 304.7260 8.423417 7.748901       14.69216 
1 1 1 0   1  21 o 425.7619 9.286677 8896.239       387.0199 8928.000       672.5775 8880.517       473.2149 425.0286 16.19621 424.9407 11.38716 0.8792114E-01  19.79860 
1 1 1 0   1  22 o 382.1942 8.391876 7168.184       313.9420 6800.000       523.6316 7374.800       392.2612 371.0010 14.44693 387.2554 10.35766 -16.25433      17.77624 
1 1 1 0   1  23 o 364.6730 6.956480 6522.505       248.3129 6403.358       346.6925 6648.008       355.8205 360.8108 9.825692 367.6305 9.897112 -6.819672      13.94622 
1 1 1 0   1  24 o 272.2435 6.193224 3634.581       165.0367 3616.665       201.5840 3671.000       287.4091 271.3305 7.597646 272.8457 10.78284 -1.515198      13.19068 
1 1 1 0   1  25 o 255.7180 7.230525 3212.962       180.8012 3363.000       263.7729 3080.000       248.3101 261.0961 10.34150 249.8838 10.17323 11.21233       14.50659 
1 1 1 0   1  26 o 188.5977 4.051582 1742.719       74.79409 1711.650       104.7559 1775.027       106.8240 186.7182 5.738543 190.1459 5.746115 -3.427750      8.120881 
1 1 1 0   1  27 o 191.7639 4.718516 1802.706       88.56834 1853.000       155.2069 1778.420       107.8529 193.9289 8.194876 190.3006 5.796853 3.628296       10.03790 
1 1 1 0   1  28 o 183.7922 3.993738 1655.394       71.84769 1673.296       102.2380 1637.927       100.9894 184.5743 5.665648 182.6124 5.656705 1.961960       8.006115 
1 1 1 0   1  29 o 323.2807 6.259220 5132.823       198.0643 5083.911       278.1903 5183.105       282.0603 321.0546 8.860790 324.1634 8.897801 -3.108826      12.55725 
1 1 1 0   1  30 o 129.1214 3.394742 817.4359       42.86810 774.1719       59.18433 865.1836       62.17551 125.5381 4.825412 132.7255 4.793719 -7.187462      6.801790 
1 1 1 0   1  31 o 331.6805 6.413787 5406.912       208.2288 5439.590       295.6679 5374.754       293.3062 331.8491 9.111053 329.8701 9.092566 1.978943       12.87191 
1 1 1 0   1  32 o 194.1401 4.181232 1848.296       79.45583 1897.262       114.0994 1802.194       110.7122 196.4072 5.941817 191.4228 5.915851 4.984467       8.384658 
1 1 1 0   1  33 o 110.6034 3.405900 600.1453       36.82889 602.3723       52.25821 597.9479       51.91136 110.6741 4.835617 110.2677 4.821240 0.4063950      6.828437 
1 1 1 0   1  34 o 136.2350 3.547435 910.6121       47.26498 931.3462       67.56847 890.7454       66.13997 137.6076 5.024877 134.5700 5.030076 3.037567       7.109926 
1 1 1 0   1  35 o 173.3396 3.946513 1474.307       66.96034 1516.368       96.33914 1434.998       93.13459 175.4758 5.616152 170.7045 5.581411 4.771301       7.917911 
1 1 1 0   1  36 o 155.9851 3.747196 1194.083       57.21314 1207.133       81.36726 1181.321       80.46350 156.5291 5.318385 154.8450 5.316679 1.684113       7.520125 
1 1 1 0   1  37 o 189.7475 4.832125 1772.838       89.67405 1718.386       107.8230 1895.000       161.4999 186.5272 5.913056 194.9648 8.483018 -8.437607      10.34049 
1 1 1 0   1  38 o 144.2500 4.234018 1024.406       59.71791 1029.129       73.19392 1015.000       103.2803 144.3701 5.187977 142.7207 7.418525 1.649490       9.052603 
1 1 1 0   1  39 o 119.1485 3.519997 698.2967       41.00726 673.1889       57.48335 724.3151       58.51649 116.6751 5.045279 121.0556 4.948842 -4.380508      7.067240 
1 1 1 0   1  40 o 97.44933 4.977790 470.5087       47.32388 0.000000       0.000000 470.5087       47.32388 ?        ?        97.44933 4.977790 ?              ?        
1 1 1 0   1  41 o 176.5455 4.051018 1536.991       70.00469 1515.442       98.38110 1559.091       99.63396 174.5402 5.766423 177.0432 5.757047 -2.502960      8.148327 
1 1 1 0   1  42 o 97.12993 4.076307 466.5805       38.66871 489.5896       48.13283 424.7000       64.93774 99.25162 4.970291 91.60463 7.302663 7.646988       8.833611 
1 1 1 0   1  43 o 60.78022 5.083321 184.7628       29.96566 185.5044       36.78496 183.3000       51.66501 60.56100 6.297266 59.14123 9.225834 1.419765       11.17012 
1 1 1 0   1  44 o 132.0084 3.628831 860.7956       46.84488 845.4465       65.63824 876.7292       66.87644 130.2139 5.160051 132.6035 5.162289 -2.389587      7.298996 
1 1 1 0   1  45 o 83.49841 3.741132 345.2291       30.49882 367.3652       43.44931 323.7283       42.82125 85.68096 5.205304 80.31586 5.479753 5.365105       7.557969 
1 1 1 0   1  46 o 80.74859 3.829272 323.4378       30.17993 311.2464       42.88493 335.4000       42.47969 78.60869 5.610381 81.72277 5.339704 -3.114082      7.745245 
1 1 1 0   1  47 o 91.52000 3.684311 415.4871       32.93745 452.4166       47.74357 381.9488       45.49865 94.90694 5.158774 87.08978 5.363361 7.817169       7.441679 
1 1 1 0   1  48 o 54.59922 5.670144 152.0911       29.86232 129.2576       36.13234 201.3000       53.04335 49.43925 7.718620 61.09332 9.151500 -11.65407      11.97193 
1 1 1 0   1  49 o 80.94453 3.806549 326.7582       30.07508 307.9091       34.24656 390.3000       62.87825 78.28532 4.488014 86.24004 7.524042 -7.954720      8.760906 
1 1 1 0   1  50 o 60.10403 4.240896 181.5868       24.78963 163.8540       28.51901 236.4000       50.14036 56.70389 5.195952 66.65124 7.834980 -9.947346      9.401320 
1 1 1 0   1  51 o 28.51567 7.342345 44.19139       20.61644 14.37658       28.74463 75.77644       29.58567 21.53127 8.738155 37.03977 8.359394 -15.50850      12.09276 
1 1 1 0   1  52 o 47.26206 5.337790 114.9188       24.26180 110.9572       30.29772 122.0000       40.50662 45.65968 7.002134 46.65717 9.196650 -0.9974937     11.55890 
1 1 1 0   1  53 o 60.39628 4.515610 184.8861       26.50195 203.0541       33.20450 153.0000       43.98898 62.82621 5.453419 52.41904 8.890669 10.40717       10.42995 
1 1 1 0   1  54 o 43.12352 7.221892 100.4401       29.40703 101.8000       37.81707 98.36000       46.77108 42.12659 9.409021 40.13165 11.38326 1.994942       14.76849 
1 1 1 0   1  55 o 27.93496 7.766260 43.56138       22.00103 18.75000       35.26915 59.36654       28.14939 23.33692 9.599332 32.18991 8.719826 -8.852999      12.96852 
1 1 1 0   1  56 o 30.27862 8.017263 51.85862       24.13231 69.42000       45.75975 45.09276       28.40312 33.57125 11.53045 28.15279 9.069053 5.418455       14.66966 
1 1 1 0   1  57 o 49.30048 5.767691 127.4950       27.30751 120.7000       52.10193 130.0685       32.06439 43.49999 11.89632 49.15456 6.850104 -5.654575      13.72757 
1 1 1 0   1  58 o 17.61177 7.758512 -1.398208      26.00927 -1.398208      26.00927 0.000000       0.000000 17.61177 7.758512 ?        ?        ?              ?        
1 1 1 0   1  59 o 70.55291 3.822641 251.1140       26.30023 256.9410       37.16074 245.2660       37.22765 70.31133 5.441816 68.57439 5.594805 1.736938       7.804820 
1 1 1 0   1  60 o 46.86662 5.007228 113.9342       22.61487 83.39991       31.72870 145.4644       32.24197 37.90356 8.731827 52.09798 6.460957 -14.19442      10.86226 
1 1 1 0   1  61 f 67.41830 3.858937 229.8722       25.35910 238.0956       35.81565 221.6050       35.91092 67.54441 5.463831 64.97045 5.704682 2.573959       7.899168 
1 1 1 0   1  62 o 40.93645 5.364857 88.35928       20.98001 93.88341       29.34056 82.57973       30.01122 40.82566 7.622506 37.74341 8.345315 3.082249       11.30252 
1 1 1 0   1  63 o 30.16578 7.402634 51.99284       21.69171 53.92252       28.10547 49.15000       34.11347 29.95473 8.921398 28.48682 9.946743 1.467916       13.36148 
1 1 1 0   2  0  o 424.0403 15.98722 8843.000       662.3813 0.000000       0.000000 8843.000       662.3813 ?        ?        424.0403 15.98722 ?              ?        
1 1 1 0   2  1  o 182.4789 5.315185 1632.303       94.83623 1616.000       133.3262 1649.000       134.9255 181.4174 7.524436 183.2625 7.537759 -1.845078      10.65059 
1 1 1 0   2  2  o 146.2207 4.509281 1047.961       64.46191 1017.000       89.71746 1081.000       92.68053 143.9322 6.384026 148.3998 6.395428 -4.467560      9.036442 
1 1 1 0   2  3  o 197.3717 5.675912 1909.774       109.5407 1770.000       147.8233 2080.000       163.1337 189.8434 7.972766 205.8129 8.113659 -15.96945      11.37526 
1 1 1 0   2  4  o 113.8466 3.885930 635.3281       43.23984 632.0000       60.95185 638.7000       61.35084 113.4577 5.504842 114.0585 5.511555 -0.6007843     7.789771 
1 1 1 0   2  5  o 384.0103 8.374843 7230.717       314.7935 7544.031       396.8459 6699.000       516.9777 391.9112 10.35401 368.6744 14.35334 23.23679       17.69814 
1 1 1 0   2  6  o 110.7390 2.707530 600.2922       29.34810 590.3585       41.23558 610.4893       41.77871 109.7407 3.844765 111.5989 3.830302 -1.858269      5.427102 
1 1 1 0   2  7  f 363.0775 6.874561 6460.676       244.3152 6411.676       343.6790 6510.737       347.3785 361.3171 9.726427 364.0958 9.756018 -2.778656      13.77619 
1 1 1 0   2  8  o 187.5332 3.865046 1722.070       70.94781 1731.077       100.6256 1713.167       100.0476 187.8957 5.477084 186.9206 5.474081 0.9751129      7.743643 
1 1 1 0   2  9  o 39.87977 2.768252 78.23524       10.73891 105.0636       15.41979 52.96719       14.96467 46.19431 3.434811 32.52747 4.847999 13.66683       5.941466 
1 1 1 0   2  10 o 331.6508 6.331794 5394.113       205.5484 5407.835       291.1160 5380.471       290.2645 331.6131 8.976930 330.7730 8.973441 0.8400574      12.69283 
1 1 1 0   2  11 o 228.4552 4.557043 2557.194       101.9038 2555.009       143.9746 2559.387       144.2532 228.1389 6.453822 228.3338 6.460796 -0.1948242     9.132015 
1 1 1 0   2  12 o 69.22018 2.652505 234.9226       17.93869 248.8913       25.52665 221.2935       25.21450 71.19498 3.675453 67.10856 3.854760 4.086426       5.326174 
1 1 1 0   2  13 o 155.7430 3.436102 1187.644       52.38185 1185.145       73.94117 1190.162       74.21785 155.4685 4.864883 155.7971 4.872783 -0.3285980     6.885571 
1 1 1 0   2  14 o 85.13328 2.796964 355.1732       23.27568 367.3322       33.27045 343.5178       32.57417 86.52592 3.938642 83.66531 3.989097 2.860619       5.605872 
1 1 1 0   2  15 o 303.4244 5.854402 4509.510       173.8758 4494.962       245.3592 4524.187       246.4395 302.6985 8.288859 303.6809 8.298393 -0.9823303     11.72896 
1 1 1 0   2  16 o 499.1952 9.333267 12219.60       456.0477 11969.37       635.2325 12485.75       655.1252 493.4127 13.16450 503.9286 13.29317 -10.51590      18.70862 
1 1 1 0   2  17 o 327.2806 7.249312 5248.559       232.2327 5291.772       286.0486 5165.000       397.7634 328.4044 8.906885 324.0335 12.56471 4.370880       15.40145 
1 1 1 0   2  18 o 392.1463 8.573833 7539.495       329.1011 7432.428       399.0974 7767.000       581.7626 389.0406 10.48997 397.0171 14.99726 -7.976501      18.30183 
1 1 1 0   2  19 o 426.1884 8.033035 8904.364       335.1101 8608.478       462.7027 9230.781       485.9888 418.5552 11.30423 433.4057 11.46587 -14.85046      16.10130 
1 1 1 0   2  20 o 113.3861 3.694955 630.1205       40.95384 591.2000       67.39049 652.9112       51.56879 109.6658 6.304568 115.3771 4.575336 -5.711342      7.789818 
1 1 1 0   2  21 o 416.6762 9.101641 8520.166       371.2143 8739.000       652.4273 8415.410       451.4037 420.5428 15.87802 413.6775 11.15819 6.865265       19.40662 
1 1 1 0   2  22 o 207.7455 5.010710 2114.278       101.8913 2012.000       171.8312 2169.743       126.5381 202.2750 8.699012 210.3112 6.153467 -8.036240      10.65542 
1 1 1 0   2  23 o 314.1797 8.629560 4850.786       265.1317 4770.000       371.1162 4935.000       378.9108 310.9118 12.21836 316.2418 12.26410 -5.330017      17.31174 
1 1 1 0   2  24 o 387.5087 8.516835 7377.319       323.0471 7450.000       563.4318 7341.726       394.2935 387.6247 14.87753 386.0637 10.44368 1.561005       18.17722 
1 1 1 0   2  25 o 128.6192 3.843803 811.0833       48.33767 798.4110       59.05835 836.8000       84.13208 127.5499 4.738607 130.4195 6.611990 -2.869637      8.134667 
1 1 1 0   2  26 o 365.9687 8.079980 6583.870       289.4412 6633.331       356.3682 6488.000       496.1428 366.7959 9.935009 361.4252 14.05110 5.370728       17.20865 
1 1 1 0   2  27 o 296.5699 5.783777 4315.366       167.8977 4358.667       239.2008 4273.314       235.7239 297.5632 8.220409 294.6412 8.181340 2.922028       11.59782 
1 1 1 0   2  28 o 190.1974 4.686488 1773.691       87.24856 1827.000       152.7037 1747.853       106.3099 192.5149 8.121863 188.6315 5.764518 3.883377       9.959636 
1 1 1 0   2  29 o 323.9514 7.248505 5160.496       229.8447 5121.321       280.2422 5241.000       401.7366 322.2153 8.893992 324.6628 12.66592 -2.447418      15.47671 
1 1 1 0   2  30 o 338.4202 6.528322 5628.327       216.2540 5740.412       309.8767 5521.913       301.9364 340.9307 9.294415 334.3942 9.233500 6.536438       13.10129 
1 1 1 0   2  31 o 186.7853 4.067150 1710.436       74.35995 1679.698       104.0803 1742.484       106.2758 184.8514 5.759300 188.2757 5.773609 -3.424332      8.155004 
1 1 1 0   2  32 o 212.0566 4.453191 2205.816       92.43347 2240.455       131.8099 2172.299       129.6580 213.3772 6.317895 210.1048 6.311749 3.272354       8.930509 
1 1 1 0   2  33 o 294.8520 5.797058 4272.962       167.3084 4337.010       239.0166 4211.430       234.2744 296.2990 8.249251 291.9890 8.205082 4.309998       11.63501 
1 1 1 0   2  34 o 171.6629 3.913050 1445.433       65.75037 1449.094       93.28249 1441.818       92.69047 171.5966 5.561079 171.1685 5.539586 0.4281158      7.849370 
1 1 1 0   2  35 o 86.07233 3.551235 363.9577       29.85489 373.9879       42.53817 354.2210       41.91118 87.09116 5.011133 84.74226 5.075966 2.348900       7.132804 
1 1 1 0   2  36 o 87.18893 4.160428 374.1673       35.40386 364.3021       43.11160 394.6000       62.04455 85.89854 5.151123 89.05809 7.178210 -3.159546      8.835200 
1 1 1 0   2  37 o 251.7130 5.925204 3126.641       145.9873 3186.565       180.9748 3015.000       247.0177 253.4722 7.301876 244.9321 10.32646 8.540176       12.64726 
1 1 1 0   2  38 o 230.7980 4.790577 2624.115       108.2246 2631.996       153.2602 2616.277       152.8460 230.2839 6.806699 229.5937 6.808761 0.6902008      9.627584 
1 1 1 0   2  39 o 120.5079 4.910238 717.7408       57.79810 738.3000       81.75716 697.2000       81.72057 121.6537 6.894063 118.1406 7.099613 3.513191       9.896091 
1 1 1 0   2  40 o 87.09104 3.614631 373.7802       30.74671 348.5536       43.05596 400.0316       43.92180 83.76609 5.278035 89.82291 5.015508 -6.056824      7.281001 
1 1 1 0   2  41 o 41.50417 6.958458 88.38120       27.26939 68.76000       48.15859 97.64144       33.08431 36.54359 11.81232 43.36544 8.091763 -6.821850      14.31808 
1 1 1 0   2  42 o 91.01160 3.593204 408.7944       31.94703 410.3723       45.33135 407.2374       45.03001 90.79959 5.121209 90.45538 5.106564 0.3442078      7.232135 
1 1 1 0   2  43 o 59.41896 5.108632 176.6959       29.42412 155.4233       35.79781 221.0000       51.66160 55.23228 6.762418 65.43916 8.248216 -10.20688      10.66599 
1 1 1 0   2  44 o 106.6761 4.132222 563.9765       43.06603 540.0858       52.24907 614.6000       76.05706 104.0311 5.147069 110.0568 7.098039 -6.025780      8.767809 
1 1 1 0   2  45 o 64.96715 4.252314 210.0586       26.89253 218.1429       38.54507 202.3910       37.53847 65.65877 6.066046 63.19719 6.145910 2.461578       8.635342 
1 1 1 0   2  46 o 56.59719 4.655494 160.4299       25.56311 161.6591       36.65139 159.2656       35.67190 56.10345 6.813645 55.73473 6.671102 0.3687248      9.535688 
1 1 1 0   2  47 o 62.44146 5.177997 196.6113       31.36329 201.3727       38.48779 187.2000       54.11038 62.74030 6.354688 58.82364 9.738145 3.916653       11.62814 
1 1 1 0   2  48 o 22.04175 8.078399 21.57434       22.78954 24.31595       26.11538 12.82000       46.66650 23.38540 8.634645 25.58571 10.81966 -2.200314      13.84276 
1 1 1 0   2  49 o 80.63621 3.868973 324.4999       30.44830 328.3926       34.93583 312.2000       62.10039 80.87801 4.429920 76.39912 8.445037 4.478897       9.536396 
1 1 1 0   2  50 o 47.84627 4.996058 116.6592       23.05376 100.4242       26.18625 172.6000       48.60843 43.85406 6.279370 55.99744 9.186507 -12.14338      11.12755 
1 1 1 0   2  51 o 75.67545 4.415940 288.4619       32.56817 288.4619       32.56817 0.000000       0.000000 75.67545 4.415940 ?        ?        ?              ?        
1 1 1 0   2  52 o 68.26486 3.786964 233.3317       25.20515 244.9166       35.47088 221.5159       35.82265 69.22425 5.274602 65.62235 5.631386 3.601898       7.715824 
1 1 1 0   2  53 o 32.68187 7.622571 58.76906       23.93494 35.17308       28.16535 120.1000       45.40838 25.91327 9.038734 45.26654 10.45856 -19.35328      13.82318 
1 1 1 0   2  54 o 24.99464 7.389164 34.00491       19.33772 49.98718       27.37114 18.07733       27.32427 29.75945 8.789266 21.75572 8.624698 8.003727       12.31408 
1 1 1 0   2  55 o 16.22286 6.864422 3.638698       18.80254 -4.387859      26.43748 11.85420       26.74683 17.36335 7.726494 20.24606 8.346953 -2.882710      11.37411 
1 1 1 0   2  56 o 30.09477 8.923559 52.24871       28.16849 0.000000       0.000000 52.24871       28.16849 ?        ?        30.09477 8.923559 ?              ?        
1 1 1 0   2  57 o 25.91815 7.326240 37.21635       19.40747 28.18872       26.92358 46.98077       28.00073 23.75824 8.768135 28.65598 8.978272 -4.897734      12.54948 
1 1 1 0   2  58 f 38.39367 7.155923 80.96265       25.90339 68.53000       48.42686 85.94549       30.65790 33.19420 11.82813 38.89090 8.306069 -5.696697      14.45321 
1 1 1 0   2  59 o 20.74509 8.156117 17.57630       24.25335 14.57853       27.89932 26.85000       49.07054 20.90576 8.561674 26.46243 11.13745 -5.556667      14.04796 
1 1 1 0   2  60 o 14.51324 6.528075 -6.081326      19.42454 0.9660708      27.20179 -13.41418      27.74723 18.27716 7.996473 16.40487 7.541373 1.872292       10.99163 
1 1 1 0   2  61 o 43.74797 5.064995 99.66806       21.28895 100.7721       30.08487 98.56079       30.12944 42.56425 7.494620 42.01099 7.606915 0.5532646      10.67869 
1 1 1 0   2  62 o 39.71752 6.072703 84.86666       22.85983 68.93723       29.24209 109.9000       36.65790 34.16249 8.717338 43.20694 8.961943 -9.044449      12.50233 
1 1 1 0   2  63 o 25.99313 7.351304 38.51149       19.53524 39.30622       27.37306 37.68658       27.88813 26.05426 8.918937 25.65728 8.991014 0.3969822      12.66435 
1 1 1 0   3  1  o 142.3703 3.611455 992.9957       50.28717 990.7000       87.07843 994.1445       61.59655 142.0626 6.277671 142.4173 4.423994 -0.3547211     7.679901 
1 1 1 0   3  2  o 392.8719 10.50108 7581.892       403.4612 7319.000       556.5826 7873.000       585.6901 385.2970 14.78545 399.5913 15.00090 -14.29434      21.06268 
1 1 1 0   3  3  o 119.2349 3.991217 696.8754       46.51600 687.1000       65.37341 706.9000       66.20153 118.3011 5.661985 119.9980 5.652103 -1.696915      8.000272 
1 1 1 0   3  4  o 169.9348 5.069223 1415.556       84.22562 1473.000       121.8511 1363.000       116.5516 173.2154 7.202536 166.6136 7.163367 6.601761       10.15826 
1 1 1 0   3  5  o 708.7188 18.70640 24830.61       1296.553 24440.00       1812.446 25240.00       1855.519 699.6020 26.51518 710.8690 26.71425 -11.26703      37.63916 
1 1 1 0   3  6  o 240.6493 5.475687 2836.713       128.9821 2747.963       154.5941 3040.000       233.9727 236.7120 6.678839 248.7168 9.628865 -12.00479      11.71844 
1 1 1 0   3  7  o 104.7551 2.659385 537.5307       27.24654 535.5364       38.52824 539.5259       38.53662 104.5145 3.772327 104.9042 3.759042 -0.3897171     5.325490 
1 1 1 0   3  8  o 80.66796 2.449446 318.8414       19.31843 340.2920       27.80993 298.8374       26.85580 83.29695 3.418127 78.04370 3.524653 5.253250       4.909864 
1 1 1 0   3  9  o 169.4074 3.589038 1405.382       59.51367 1395.843       83.89004 1415.047       84.44278 168.7056 5.085934 169.8633 5.084472 -1.157669      7.191563 
1 1 1 0   3  10 f 136.9244 3.127700 918.0402       41.91913 913.7318       59.12019 922.3963       59.44635 136.4957 4.430843 137.1418 4.434251 -0.6461029     6.268569 
1 1 1 0   3  11 o 217.6480 4.377616 2320.712       93.26067 2286.855       130.6629 2355.873       133.1534 215.8581 6.190513 219.0914 6.215264 -3.233307      8.772226 
1 1 1 0   3  12 o 165.3242 3.563311 1338.431       57.66288 1317.626       80.78435 1360.041       82.33296 163.9103 5.041168 166.5290 5.056862 -2.618668      7.140395 
1 1 1 0   3  13 o 116.0041 2.945395 659.2231       33.41733 626.1058       46.21110 695.5251       48.38211 112.9946 4.185369 119.1037 4.156421 -6.109131      5.898571 
1 1 1 0   3  14 o 153.1081 3.423585 1147.649       51.30806 1142.259       72.35227 1153.101       72.77064 152.6473 4.848507 153.3705 4.853502 -0.7232361     6.860357 
1 1 1 0   3  15 o 292.3205 5.664224 4185.175       162.0712 4074.457       225.0844 4304.386       233.5570 288.2133 7.986270 296.2337 8.062247 -8.020477      11.34814 
1 1 1 0   3  16 o 856.6052 18.36159 36182.75       1539.562 35304.00       1851.761 38150.00       2770.652 844.2997 22.42677 872.0776 32.51485 -27.77795      39.49906 
1 1 1 0   3  17 o 261.8440 5.952325 3358.295       152.5582 3304.761       185.0184 3472.000       269.6425 259.5934 7.288619 265.8154 10.38336 -6.222015      12.68614 
1 1 1 0   3  18 o 203.3504 4.221625 2024.677       84.02934 2079.562       120.5106 1972.741       117.2282 205.9563 5.984181 200.5927 5.977170 5.363586       8.457954 
1 1 1 0   3  19 o 208.5242 6.098444 2131.987       124.3411 1954.000       165.9196 2360.000       187.7950 199.4418 8.518770 219.1963 8.770456 -19.75455      12.22662 
1 1 1 0   3  20 o 492.8309 10.66981 11926.32       514.7078 11980.00       892.5888 11899.58       630.0020 491.9565 18.56944 491.6949 13.10168 0.2615662      22.72616 
1 1 1 0   3  21 o 300.2415 5.842542 4416.924       171.7033 4661.424       250.7418 4201.037       235.6140 308.1450 8.320762 292.5301 8.236771 15.61490       11.70809 
1 1 1 0   3  22 o 272.8669 6.205179 3649.604       165.7339 3652.412       203.0516 3644.000       286.8623 272.7605 7.612786 272.0230 10.79505 0.7374878      13.20938 
1 1 1 0   3  23 f 347.4398 7.701120 5924.182       261.9025 5777.000       445.7439 6001.784       323.6647 341.9053 13.34468 349.3353 9.474314 -7.430023      16.36591 
1 1 1 0   3  24 o 153.3880 4.151259 1153.404       62.26986 1139.000       108.4152 1160.495       76.06878 152.1608 7.300456 153.7972 5.059916 -1.636429      8.882533 
1 1 1 0   3  25 o 130.4604 3.340122 834.1038       42.61769 830.7257       60.31772 837.4713       60.22344 130.1064 4.744253 130.6362 4.717472 -0.5298462     6.690476 
1 1 1 0   3  26 o 289.2816 6.538464 4107.669       185.1411 4152.368       228.3897 4022.000       316.1834 290.5235 8.039088 285.1878 11.34933 5.335724       13.90806 
1 1 1 0   3  27 o 205.9822 4.973655 2080.441       100.2793 2065.505       122.3568 2111.000       175.0119 205.0537 6.102920 206.9154 8.660233 -1.861725      10.59459 
1 1 1 0   3  28 o 278.4829 5.484340 3805.145       149.4959 3848.828       213.1062 3762.818       209.7714 279.6104 7.794000 276.4733 7.759192 3.137085       10.99780 
1 1 1 0   3  29 o 268.3139 6.138910 3535.547       161.2281 3415.000       272.3449 3600.590       200.0502 262.5961 10.61747 270.4261 7.565037 -7.829926      13.03689 
1 1 1 0   3  30 o 116.9369 3.830209 670.9125       43.78184 644.1411       52.99018 728.5000       77.71840 114.5004 4.738288 121.5750 6.555144 -7.074600      8.088344 
1 1 1 0   3  31 o 222.1150 4.594626 2419.901       99.89281 2462.547       142.8184 2379.056       139.7705 223.7166 6.528966 219.8933 6.500914 3.823364       9.213538 
1 1 1 0   3  32 o 179.9289 4.000583 1587.408       70.45801 1603.454       100.2814 1571.765       99.01602 180.5767 5.680583 178.7839 5.665254 1.792786       8.022726 
1 1 1 0   3  33 o 116.2384 3.416708 662.8246       38.83223 651.9689       54.71451 673.8425       55.12188 115.1420 4.865670 117.0660 4.820779 -1.924019      6.849428 
1 1 1 0   3  34 o 169.7924 3.885533 1414.108       64.57658 1387.660       90.49648 1441.547       92.17684 167.9182 5.513366 171.1517 5.509354 -3.233429      7.794240 
1 1 1 0   3  35 o 78.59943 4.233089 304.1477       32.44724 302.1991       39.48509 308.2000       56.94152 78.23089 5.185694 78.63552 7.488111 -0.4046326     9.108416 
1 1 1 0   3  36 o 250.4891 5.089156 3087.004       124.7788 3054.692       175.1428 3120.309       177.8153 248.4185 7.210445 251.0617 7.243304 -2.643188      10.22037 
1 1 1 0   3  37 o 129.9681 3.505821 829.7534       44.55903 845.2300       63.88592 815.0919       62.18066 130.9292 4.994123 128.5789 4.949843 2.350372       7.031516 
1 1 1 0   3  38 o 116.7855 3.955267 671.3070       45.14857 654.8000       76.34409 680.1850       55.98844 114.6962 6.831125 117.3827 4.883574 -2.686523      8.397236 
1 1 1 0   3  39 o 98.46422 3.503018 477.1165       33.70811 508.5499       48.64063 448.0716       46.75615 101.3949 4.915558 95.13406 5.039045 6.260811       7.039509 
1 1 1 0   3  40 f 107.1949 3.489014 565.7327       36.55984 564.8350       51.86943 566.6191       51.53898 106.7831 4.976211 106.9623 4.935958 -0.1791763     7.009019 
1 1 1 0   3  41 o 124.5164 3.548147 763.9597       43.20075 731.6671       60.10616 798.4685       62.13449 121.4273 5.068181 126.8769 5.013021 -5.449600      7.128592 
1 1 1 0   3  42 o 146.5277 4.314853 1062.195       61.81852 1094.000       109.5223 1047.324       74.88837 147.0440 7.635530 145.1103 5.281228 1.933701       9.284001 
1 1 1 0   3  43 o 50.43130 5.878363 128.6550       28.47426 149.8000       52.01124 119.6050       34.02636 52.84711 10.42520 48.12763 7.464580 4.719479       12.82204 
1 1 1 0   3  44 o 74.98683 3.920547 278.7254       28.67654 287.2430       41.55372 270.9804       39.62453 75.61817 5.655021 73.46960 5.551051 2.148575       7.924231 
1 1 1 0   3  45 o 74.80896 4.645519 279.1309       33.84900 251.3569       41.16677 337.1000       59.47395 70.52155 6.021287 81.03458 7.586272 -10.51303      9.685423 
1 1 1 0   3  46 o 60.55156 4.556687 183.3374       26.80913 151.3015       30.30948 298.5000       57.46668 54.61861 5.755762 75.94350 7.843431 -21.32489      9.728730 
1 1 1 0   3  47 o 68.19530 4.222383 232.1048       28.04677 235.8938       32.33706 220.6000       56.34819 68.54134 4.851289 64.21696 9.229256 4.324379       10.42661 
1 1 1 0   3  48 o 46.96411 5.560045 112.7764       25.06421 107.1001       28.50877 132.1000       52.60084 45.35646 6.616215 48.03386 11.36601 -2.677402      13.15144 
1 1 1 0   3  49 o 27.89141 7.957779 42.09377       22.79095 58.19433       25.94296 -12.35000      47.70601 32.62384 8.148707 22.56828 10.18381 10.05555       13.04267 
1 1 1 0   3  50 o 25.08344 8.538009 32.32919       25.07815 32.32919       25.07815 0.000000       0.000000 25.08344 8.538009 ?        ?        ?              ?        
1 1 1 0   3  51 o 61.08092 4.273807 187.9113       25.39087 174.1196       28.93441 234.1000       52.95080 58.43151 5.110343 65.72195 8.424551 -7.290447      9.853358 
1 1 1 0   3  52 o 60.30506 4.825323 184.8881       28.24557 159.8598       33.76753 243.2000       51.54205 55.29631 6.354078 67.18033 7.994792 -11.88402      10.21230 
1 1 1 0   3  53 o 60.19925 4.058626 182.5192       23.77555 173.7452       33.47877 191.4467       33.77054 57.77252 6.007923 60.82275 5.740281 -3.050232      8.309390 
1 1 1 0   3  54 o 42.21849 5.040943 91.86338       20.42038 79.06505       28.46163 105.4405       29.31482 37.77523 7.949509 44.31463 6.989633 -6.539394      10.58535 
1 1 1 0   3  55 f 32.64427 8.721695 61.16703       28.39863 0.000000       0.000000 61.16703       28.39863 ?        ?        32.64427 8.721695 ?              ?        
1 1 1 0   3  56 o 15.92157 6.806960 2.345606       18.82303 21.73363       26.59027 -17.12874      26.64940 22.20421 8.594110 15.66130 7.266856 6.542911       11.25460 
1 1 1 0   3  57 o 31.57791 7.275866 55.32196       22.02664 43.80000       33.85726 63.77725       29.00368 27.97132 9.897764 33.20559 8.787882 -5.234272      13.23603 
1 1 1 0   3  58 o 20.67472 7.490134 20.82281       19.51044 -10.80228      26.41845 58.76546       28.93711 16.35929 7.459261 31.74934 8.935974 -15.39005      11.64011 
1 1 1 0   3  59 o 54.34658 6.409680 157.5592       33.44175 167.2000       54.10723 151.6000       42.53984 52.20335 10.93952 51.57571 8.738094 0.6276321      14.00097 
1 1 1 0   3  60 o 32.20522 6.900620 57.27123       21.09858 34.81807       28.87361 82.99613       30.90574 25.37478 9.122547 37.93105 8.531473 -12.55627      12.49027 
1 1 1 0   3  61 o 41.92779 5.923654 93.64616       23.63428 100.2965       30.54209 83.72000       37.31352 42.33771 7.651507 36.95694 10.05124 5.380764       12.63222 
1 1 1 0   3  62 o 37.89957 5.709314 76.65029       20.52303 79.47123       28.78131 73.73217       29.27284 37.11852 8.145715 35.45904 8.536939 1.659485       11.79966 
1 1 1 0   3  63 o 43.67970 6.247852 103.3935       25.95263 93.98374       29.81717 132.8000       52.71079 40.56555 7.792497 44.30011 11.90305 -3.734558      14.22693 
1 1 1 0   4  0  o 1347.280 35.64923 90421.68       4697.128 98100.00       7046.003 84280.00       6301.637 1389.866 51.88319 1289.788 50.00951 100.0782       72.06120 
1 1 1 0   4  1  o 375.4209 7.088669 6907.206       260.4890 6891.140       367.8314 6923.370       368.9453 374.5952 10.04089 375.4699 10.04781 -0.8747253     14.20485 
1 1 1 0   4  2  o 371.5786 7.021683 6766.367       255.3866 6947.485       367.8384 6597.810       354.8539 376.1302 9.999959 366.5482 9.899428 9.582001       14.07117 
1 1 1 0   4  3  o 343.8195 9.264827 5803.026       311.5143 5918.000       446.5164 5694.000       434.8123 346.6771 13.18251 340.0583 13.08741 6.618805       18.57576 
1 1 1 0   4  4  o 499.3559 13.24144 12269.96       646.6486 11830.00       890.8326 12760.00       940.1580 489.0183 18.64494 507.8148 18.94748 -18.79654      26.58272 
1 1 1 0   4  5  o 82.84127 3.523692 336.5955       28.50741 297.1000       38.70967 383.4000       42.13949 77.71655 5.117089 88.34374 4.892225 -10.62720      7.079439 
1 1 1 0   4  6  o 612.8369 16.20372 18544.67       971.1462 18610.00       1376.873 18480.00       1369.969 611.1621 23.05742 609.0374 23.02201 2.124756       32.58309 
1 1 1 0   4  7  o 285.7724 6.378061 4002.659       178.4084 4007.999       218.5739 3992.000       308.8169 285.7521 7.821885 284.7588 11.10070 0.9933167      13.57967 
1 1 1 0   4  8  o 145.4886 3.219402 1036.396       45.84693 991.9762       63.38732 1085.125       66.39167 142.2323 4.558891 148.7667 4.564738 -6.534348      6.451381 
1 1 1 0   4  9  f 340.6302 6.490069 5690.843       216.3908 5593.035       302.3006 5793.621       309.8858 337.2072 9.167251 343.1926 9.233201 -5.985443      13.01117 
1 1 1 0   4  10 o 178.9314 3.749544 1568.120       65.67063 1526.532       91.37370 1612.553       94.44712 176.3968 5.298059 181.3006 5.327882 -4.903824      7.513705 
1 1 1 0   4  11 o 202.2558 4.128908 2003.746       81.74148 1991.368       115.1159 2016.334       116.0901 201.4612 5.843821 202.7201 5.856627 -1.258911      8.273471 
1 1 1 0   4  12 o 399.9968 7.552743 7848.222       295.7109 7485.077       404.3901 8265.579       433.5253 390.0639 10.60135 409.8681 10.81543 -19.80417      15.14471 
1 1 1 0   4  13 o 156.2344 3.446488 1195.052       52.70595 1162.076       73.34580 1230.263       75.78917 153.9589 4.873170 158.4147 4.893579 -4.455811      6.906149 
1 1 1 0   4  14 o 275.2551 5.366778 3710.688       144.5956 3566.253       199.1050 3871.877       210.3350 269.6461 7.551091 280.9632 7.655273 -11.31711      10.75278 
1 1 1 0   4  15 o 615.4074 13.23431 18608.40       797.2057 17831.56       946.1315 20510.00       1480.288 601.6523 16.08012 642.9417 23.56153 -41.28937      28.52571 
1 1 1 0   4  16 o 798.5165 14.80571 31361.09       1157.229 30683.97       1609.825 32085.16       1664.693 787.6554 20.89874 805.3552 21.13567 -17.69983      29.72329 
1 1 1 0   4  17 o 434.2349 8.170437 9242.979       347.2772 8862.930       476.6753 9672.876       506.9717 424.7343 11.47618 443.7004 11.68331 -18.96609      16.37688 
1 1 1 0   4  18 o 733.0366 15.73236 26461.28       1128.823 24790.00       1864.598 27428.19       1418.255 704.7728 27.07938 744.8445 19.46951 -40.07166      33.35198 
1 1 1 0   4  19 o 378.9055 10.19931 7051.348       377.9312 6826.000       521.8016 7300.000       548.1199 372.1516 14.35139 384.8320 14.57753 -12.68042      20.45646 
1 1 1 0   4  20 o 143.7325 3.991296 1012.348       56.09892 1005.834       68.18130 1026.000       98.70576 143.2250 4.870488 144.5134 6.998766 -1.288345      8.526686 
1 1 1 0   4  21 o 359.9077 7.943493 6353.821       279.8394 6231.000       478.6176 6417.617       344.9433 355.3486 13.78645 361.3729 9.760764 -6.024261      16.89198 
1 1 1 0   4  22 o 177.2349 4.490817 1539.635       77.84504 1526.904       94.79483 1566.000       136.4152 176.4350 5.495707 178.4802 7.827518 -2.045197      9.564143 
1 1 1 0   4  23 o 340.3295 7.548546 5684.221       251.4601 5726.085       309.5561 5603.000       431.1692 341.2169 9.276960 336.7098 13.10739 4.507172       16.05820 
1 1 1 0   4  24 o 459.8230 10.01407 10406.51       450.7206 10360.00       778.6953 10429.94       552.7203 455.8612 17.48375 459.5244 12.29932 -3.663177      21.37650 
1 1 1 0   4  25 o 310.1999 6.956481 4723.979       211.2212 4779.000       369.5383 4697.280       257.4156 310.7788 12.17145 308.9672 8.519834 1.811646       14.85705 
1 1 1 0   4  26 o 384.6147 7.323533 7267.214       275.7101 7193.726       387.2045 7342.796       392.6791 381.8052 10.37038 385.7316 10.40983 -3.926392      14.69385 
1 1 1 0   4  27 o 168.3258 3.755981 1388.223       61.88427 1368.325       86.94853 1408.650       88.09794 166.9371 5.327945 169.3823 5.320230 -2.445221      7.529399 
1 1 1 0   4  28 o 89.78322 3.750143 395.6814       32.88455 389.6734       39.95337 408.3000       57.90194 89.03114 4.600241 90.93752 6.548805 -1.906380      8.003066 
1 1 1 0   4  29 o 296.1661 5.793720 4306.246       167.9574 4360.641       239.6378 4253.724       235.4721 297.4470 8.238688 293.7856 8.196480 3.661377       11.62146 
1 1 1 0   4  30 o 353.9578 7.858906 6169.336       272.2825 6170.000       470.9436 6169.003       333.7119 351.5381 13.71274 353.2698 9.659770 -1.731720      16.77350 
1 1 1 0   4  31 o 299.0487 6.768292 4398.395       198.1195 4396.580       242.8996 4402.000       342.4387 298.4998 8.321480 297.4715 11.78396 1.028259       14.42598 
1 1 1 0   4  32 o 142.8207 3.588284 1000.462       50.12335 990.0781       70.68197 1010.966       71.09003 141.9205 5.096395 143.4145 5.072167 -1.494064      7.190280 
1 1 1 0   4  33 o 206.8358 4.392946 2099.064       88.93809 2032.773       123.2982 2170.969       128.4125 203.1949 6.206504 209.9849 6.254570 -6.789948      8.811376 
1 1 1 0   4  34 o 293.0269 6.681865 4230.739       191.6511 4120.729       230.6623 4476.000       344.4100 288.5999 8.173573 299.0709 11.78818 -10.47104      14.34464 
1 1 1 0   4  35 o 96.59711 3.459376 458.2145       32.65625 492.8156       47.16875 426.3622       45.25641 100.0269 4.831901 93.00134 4.989736 7.025528       6.945842 
1 1 1 0   4  36 o 92.62617 3.481713 421.5586       31.51077 398.7637       44.37320 444.7476       44.75519 89.88264 5.064059 94.97382 4.830163 -5.091171      6.998226 
1 1 1 0   4  37 o 145.6408 4.160357 1043.433       59.24815 1082.000       103.3009 1024.527       72.32695 147.5754 7.172766 144.1216 5.135226 3.453796       8.821514 
1 1 1 0   4  38 o 122.5419 3.492788 738.2247       41.85234 730.3003       59.33133 746.0731       59.04599 121.5984 4.995464 122.9239 4.917282 -1.325516      7.009588 
1 1 1 0   4  39 o 136.6940 3.582717 919.2980       47.89539 959.3152       69.19787 882.4958       66.35986 139.2726 5.084524 133.5724 5.084827 5.700211       7.190817 
1 1 1 0   4  40 o 82.42576 3.640180 334.9721       29.29675 367.7762       42.20351 304.4621       40.70105 86.09497 5.029911 78.23531 5.347062 7.859657       7.341054 
1 1 1 0   4  41 o 117.4525 3.505571 679.8043       40.25694 712.4736       58.17513 649.7858       55.76515 119.8335 4.970460 114.4248 4.990942 5.408783       7.043789 
1 1 1 0   4  42 o 89.13716 3.590667 392.2263       31.26442 385.9506       44.63633 398.2702       43.80453 88.00561 5.204941 89.45824 5.022734 -1.452637      7.233205 
1 1 1 0   4  43 o 105.0729 5.164290 550.3770       52.95110 510.1000       73.63820 593.5000       76.19558 100.0991 7.571810 108.1871 7.236907 -8.088020      10.47402 
1 1 1 0   4  44 o 60.02010 5.238554 180.8184       30.46806 188.9157       37.54427 165.2000       52.14278 61.00007 6.382272 55.60411 9.945470 5.395962       11.81718 
1 1 1 0   4  45 o 68.64405 4.196634 234.3970       28.06271 214.1038       32.19970 298.5000       57.22897 65.34771 5.073750 76.09207 7.793697 -10.74436      9.299712 
1 1 1 0   4  46 o 89.99096 4.332732 403.1338       38.05301 439.6696       47.58192 338.3000       63.38462 93.64250 5.211700 80.70583 8.134539 12.93668       9.660876 
1 1 1 0   4  47 o 49.14648 5.327459 122.5755       25.21886 98.10812       28.73908 204.5000       52.58789 43.33051 7.015661 61.92673 8.933647 -18.59623      11.35912 
1 1 1 0   4  48 o 25.69282 8.085500 34.59185       22.68425 40.29810       25.88280 15.69000       47.10728 27.55288 8.631957 26.02445 10.93028 1.528423       13.92773 
1 1 1 0   4  49 o 35.19739 7.822229 67.22604       26.25019 67.22604       26.25019 0.000000       0.000000 35.19739 7.822229 ?        ?        ?              ?        
1 1 1 0   4  50 f 46.94377 5.222006 112.8166       23.58940 113.4905       27.42438 110.9000       46.25177 46.70077 6.148608 43.65177 10.86725 3.049000       12.48609 
1 1 1 0   4  51 o 65.26604 4.644532 215.5648       29.47734 186.9057       35.46544 279.6000       53.01316 60.02483 6.121870 72.50243 7.582042 -12.47760      9.744981 
1 1 1 0   4  52 o 41.72297 5.679500 90.48647       22.59324 85.14758       25.82551 107.9000       46.64085 39.94125 6.852349 42.58877 11.08321 -2.647514      13.03043 
1 1 1 0   4  53 o 32.80721 7.621644 59.28617       24.00647 26.15390       27.89490 153.9000       47.13858 23.68857 8.889318 52.00783 9.613836 -28.31926      13.09373 
1 1 1 0   4  54 o 25.75386 7.697344 36.36695       20.89364 14.10000       33.30212 50.82150       26.83144 22.26667 9.258973 29.98271 8.659676 -7.716032      12.67748 
1 1 1 0   4  55 o 50.07861 4.438136 127.8787       21.52998 124.6501       29.79907 131.4047       31.14122 48.39375 6.451383 49.63208 6.571449 -1.238335      9.208923 
1 1 1 0   4  56 o 63.08749 3.900868 200.9120       23.97073 174.5003       33.15014 229.8554       34.70259 57.61704 5.964116 66.61369 5.367624 -8.996643      8.023844 
1 1 1 0   4  57 o 74.11729 3.667258 276.1956       26.52262 248.4183       36.50783 307.2424       38.59656 69.19200 5.434009 77.21500 5.135897 -8.023003      7.477024 
1 1 1 0   4  58 o 26.20937 7.912523 38.53256       21.99631 50.36000       33.77316 29.81961       28.98737 29.38133 9.908950 24.31378 9.074398 5.067554       13.43622 
1 1 1 0   4  59 o 53.10970 5.111357 146.1093       26.24374 156.3000       42.24973 139.7073       33.48758 52.57026 8.500628 50.80593 6.913001 1.764324       10.95675 
1 1 1 0   4  60 o 33.76089 11.98464 73.15000       49.67344 73.15000       49.67344 0.000000       0.000000 33.76089 11.98464 ?        ?        ?              ?        
1 1 1 0   4  61 o 16.33887 6.957983 3.664118       19.53063 3.328007       26.16527 4.087002       29.34906 18.31429 7.929399 19.29422 8.375604 -0.9799271     11.53369 
1 1 1 0   4  62 o 34.23284 7.646105 66.78312       24.97305 62.34178       28.90164 79.87000       49.61165 32.33578 8.867184 34.46536 11.99777 -2.129578      14.91890 
1 1 1 0   4  63 o 30.33104 6.778553 51.47433       19.61769 27.06138       27.53399 76.64512       27.95808 23.08787 8.793662 36.33736 8.070477 -13.24949      11.93571 
1 1 1 0   5  1  o 202.3999 4.092268 2005.824       81.07380 2037.318       115.7476 1975.492       113.5940 203.8535 5.806714 200.7352 5.787346 3.118317       8.198250 
1 1 1 0   5  2  o 890.1003 16.50254 39065.57       1437.792 39494.01       2049.706 38650.54       2017.369 891.2659 23.51568 881.7617 23.39439 9.504211       33.17055 
1 1 1 0   5  3  o 241.7870 4.754501 2863.008       112.5238 2851.126       158.6900 2875.023       159.5790 241.1132 6.730499 242.1216 6.739980 -1.008408      9.525069 
1 1 1 0   5  4  o 582.9378 15.42199 16761.91       879.1989 16170.00       1211.716 17420.00       1277.652 570.3480 21.74458 591.8659 22.09256 -21.51794      30.99852 
1 1 1 0   5  5  o 262.4574 7.263062 3379.661       186.4090 3351.000       262.0927 3409.000       265.1788 261.0162 10.27853 263.2648 10.31052 -2.248566      14.55867 
1 1 1 0   5  6  o 233.9480 6.585424 2685.030       150.6527 2760.000       216.7807 2615.000       209.5153 236.9090 9.366763 230.5998 9.301281 6.309219       13.20038 
1 1 1 0   5  7  o 125.6599 4.250761 774.2845       52.20884 756.9000       72.98754 792.5000       74.71153 124.1183 6.025684 127.0102 6.026752 -2.891953      8.522359 
1 1 1 0   5  8  f 257.9171 5.833302 3261.275       147.2655 3274.004       180.5795 3236.000       254.4612 258.2097 7.151681 256.2674 10.16446 1.942291       12.42831 
1 1 1 0   5  9  o 319.0166 7.064415 4994.460       220.5950 4917.725       267.1265 5159.000       391.1588 316.2266 8.638122 323.0841 12.39188 -6.857513      15.10549 
1 1 1 0   5  10 o 255.0891 5.788408 3190.137       144.5298 3192.195       176.8468 3186.000       250.8023 254.9633 7.093091 254.2793 10.09668 0.6840057      12.33916 
1 1 1 0   5  11 o 655.9766 12.24582 21197.21       786.2894 19802.70       1055.163 22938.54       1179.091 631.8785 17.07569 679.7519 17.73626 -47.87341      24.62019 
1 1 1 0   5  12 o 558.0309 10.41967 15296.21       569.1393 14466.93       771.9165 16284.01       842.4729 541.5555 14.57526 574.4524 14.99572 -32.89691      20.91195 
1 1 1 0   5  13 o 507.3523 10.96779 12638.50       544.6720 11990.39       641.6384 14310.00       1030.423 493.6240 13.29178 537.6160 19.61397 -43.99200      23.69345 
1 1 1 0   5  14 o 294.7708 6.585043 4256.776       189.9981 4033.795       224.3108 4823.000       357.4456 286.7671 7.999062 313.2112 11.67959 -26.44412      14.15620 
1 1 1 0   5  15 f 188.4078 3.963736 1737.907       73.09872 1634.908       99.56613 1858.339       107.6623 182.6230 5.576467 194.7091 5.654986 -12.08614      7.942031 
1 1 1 0   5  16 o 755.2659 14.01807 28044.38       1036.321 26763.00       1414.548 29528.92       1522.564 735.9484 19.65409 772.8840 20.14306 -36.93555      28.14296 
1 1 1 0   5  17 o 186.5721 4.554995 1704.465       83.18417 1860.000       149.9137 1635.274       99.98939 194.6421 7.884935 182.6369 5.599802 12.00523       9.671090 
1 1 1 0   5  18 o 439.7090 9.558508 9484.902       411.3975 9054.000       688.1433 9724.570       513.2091 428.3071 16.44466 444.8005 11.79795 -16.49344      20.23903 
1 1 1 0   5  19 o 509.1134 11.00812 12728.74       548.5722 12608.16       667.3426 12980.00       963.3344 506.0893 13.48350 511.9724 19.25747 -5.883118      23.50861 
1 1 1 0   5  20 f 451.8674 9.831850 10024.09       434.8630 9850.000       743.4000 10114.66       536.1673 446.2253 17.05148 453.3855 12.09245 -7.160248      20.90408 
1 1 1 0   5  21 o 333.3408 6.407614 5446.667       209.0696 5738.873       305.8920 5190.502       286.4071 341.7672 9.152139 325.0363 9.010834 16.73093       12.84355 
1 1 1 0   5  22 o 290.9544 6.566166 4150.963       187.0006 4070.799       226.2070 4324.000       332.3427 287.8846 8.035380 296.1614 11.48618 -8.276764      14.01783 
1 1 1 0   5  23 o 226.1011 4.604725 2504.674       101.9090 2462.441       142.7026 2548.629       145.5828 223.9714 6.516209 227.8586 6.534120 -3.887253      9.227984 
1 1 1 0   5  24 o 170.2371 3.777899 1419.551       62.95219 1472.496       90.92256 1370.800       87.24684 173.2256 5.368808 167.1333 5.339962 6.092316       7.572271 
1 1 1 0   5  25 o 185.5819 4.632419 1687.972       84.14914 1713.000       148.3654 1676.103       102.1727 186.5001 8.146976 184.7779 5.655748 1.722137       9.917696 
1 1 1 0   5  26 o 156.8170 4.206031 1205.951       64.50294 1206.000       113.4519 1205.928       78.40876 156.4902 7.427793 156.7404 5.117525 -0.2501678     9.020042 
1 1 1 0   5  27 o 205.0051 4.289714 2059.936       86.07942 2082.245       122.7146 2038.325       120.7779 205.8664 6.096538 203.6860 6.064624 2.180450       8.599270 
1 1 1 0   5  28 o 159.2857 3.658271 1243.208       57.03728 1225.830       80.24825 1260.949       81.08404 157.9887 5.196303 160.2403 5.176396 -2.251633      7.334620 
1 1 1 0   5  29 o 174.4212 4.498143 1492.770       76.73195 1466.866       93.00163 1548.000       135.7980 172.7892 5.505826 177.1604 7.850558 -4.371231      9.588815 
1 1 1 0   5  30 o 256.3014 5.938961 3226.457       148.9936 3295.629       184.8051 3098.000       251.8422 258.6970 7.305523 250.0478 10.31174 8.649185       12.63735 
1 1 1 0   5  31 o 307.4971 6.006136 4646.015       180.7767 4682.574       257.3515 4610.402       253.9952 307.9655 8.545520 305.5955 8.499518 2.369995       12.05271 
1 1 1 0   5  32 o 145.8119 4.168812 1043.624       59.43816 1050.979       73.75706 1030.000       100.3852 146.2107 5.161788 144.4477 7.121869 1.762955       8.795741 
1 1 1 0   5  33 o 145.8074 4.186498 1043.820       59.68794 1054.161       73.62968 1024.000       101.9383 146.4093 5.145811 143.9533 7.257933 2.456039       8.897019 
1 1 1 0   5  34 o 360.1372 6.948747 6395.606       244.9518 6531.367       351.5917 6267.558       341.4588 362.4019 9.920893 355.0511 9.834671 7.350830       13.96943 
1 1 1 0   5  35 o 162.9289 4.380202 1304.668       69.79181 1396.000       123.5126 1261.828       84.59092 167.8590 7.536491 160.0530 5.407268 7.806061       9.275626 
1 1 1 0   5  36 o 157.4753 4.306667 1219.497       66.32114 1316.000       117.4482 1174.320       80.35936 162.8484 7.387355 154.3325 5.327515 8.515961       9.107987 
1 1 1 0   5  37 o 105.7674 3.424198 549.7385       35.40335 567.5666       50.57247 532.6046       49.57814 107.2564 4.829479 103.8831 4.889445 3.373299       6.872448 
1 1 1 0   5  38 o 124.9025 3.494339 767.0372       42.67910 778.4713       60.99620 756.0698       59.73820 125.5367 4.973779 123.7215 4.942830 1.815117       7.012135 
1 1 1 0   5  39 o 192.0960 4.224383 1817.909       79.43059 1802.745       112.1061 1833.195       112.5589 190.5597 6.017787 192.1759 5.991086 -1.616165      8.491575 
1 1 1 0   5  40 o 71.46292 3.809921 252.1919       26.55404 268.5224       38.40936 237.2406       36.75162 73.42891 5.381338 68.97120 5.489054 4.457710       7.686905 
1 1 1 0   5  41 o 110.3363 4.036709 601.5065       43.52307 569.3641       52.32233 673.7000       78.41476 107.0705 5.006280 115.7266 6.954512 -8.656158      8.569018 
1 1 1 0   5  42 o 192.5714 4.288017 1833.629       80.82662 1817.852       92.84752 1883.000       164.2437 191.3495 4.961388 191.8854 8.767782 -0.5358887     10.07419 
1 1 1 0   5  43 o 103.8280 3.576332 532.4135       36.29191 540.2828       41.86100 508.6000       72.82066 104.4449 4.102624 99.95696 7.497415 4.487946       8.546505 
1 1 1 0   5  44 o 64.39014 4.371502 206.4367       27.38883 197.6135       31.32190 235.1000       56.45431 62.78709 5.141485 67.09538 8.808579 -4.308289      10.19931 
1 1 1 0   5  45 o 82.62424 4.402350 339.8336       35.47543 322.1782       43.12285 376.8000       62.39809 80.05090 5.537577 85.67813 7.516448 -5.627228      9.336045 
1 1 1 0   5  46 o 41.22565 6.254792 87.54367       24.44847 44.04112       27.78176 236.9000       51.47711 28.94274 8.923169 67.47839 7.945839 -38.53565      11.94819 
1 1 1 0   5  47 o 71.69473 4.657681 257.6960       32.50918 241.2414       39.17324 294.1000       58.26662 68.87955 5.865986 74.90881 8.073960 -6.029266      9.979911 
1 1 1 0   5  48 o 25.96011 9.591563 31.24404       32.23363 31.24404       32.23363 0.000000       0.000000 25.96011 9.591563 ?        ?        ?              ?        
1 1 1 0   5  49 o 35.73686 6.673929 67.64629       22.48724 58.76659       25.46704 99.07000       47.90797 32.80398 8.003426 41.09235 11.47366 -8.288372      13.98927 
1 1 1 0   5  50 f 59.17279 4.819849 177.5667       27.67496 189.5578       33.71534 152.8000       48.45436 60.71727 5.741133 52.10303 9.861929 8.614243       11.41132 
1 1 1 0   5  51 o 83.82841 3.622272 350.7311       29.65188 337.8640       33.97108 391.9000       60.76493 81.97547 4.248185 86.17076 7.272031 -4.195290      8.421966 
1 1 1 0   5  52 f 59.04810 4.287040 176.0076       24.60944 167.5083       27.82862 206.5000       52.71053 57.27847 5.014080 60.98057 9.109646 -3.702106      10.39840 
1 1 1 0   5  53 o 38.70905 6.725275 80.22206       24.55752 61.96513       28.86237 128.1000       46.73970 33.06173 8.774182 46.66911 10.48793 -13.60738      13.67417 
1 1 1 0   5  54 o 28.67785 7.859289 45.83805       22.71275 43.54582       26.33696 52.49000       44.86528 27.89898 8.702434 30.63940 11.31673 -2.740421      14.27588 
1 1 1 0   5  55 o 46.30223 4.637062 109.8653       20.73355 119.1775       29.22035 100.4228       29.42405 47.28052 6.484544 42.90489 7.265330 4.375633       9.738293 
1 1 1 0   5  56 o 73.44408 3.637973 270.9978       26.07166 288.8586       36.99125 253.3676       36.75172 74.93229 5.073315 69.92500 5.411651 5.007286       7.417849 
1 1 1 0   5  57 f 68.29408 3.770249 235.0133       25.10562 231.3913       34.90415 238.8958       36.13737 66.78284 5.385195 67.78584 5.493458 -1.003006      7.692750 
1 1 1 0   5  58 o 39.00565 5.574210 80.15947       20.67771 72.65642       28.23906 88.83280       30.36156 35.68771 8.249171 39.66056 8.095205 -3.972855      11.55773 
1 1 1 0   5  59 o 20.22225 7.766833 17.74707       21.59770 6.876591       27.05107 36.86000       35.86936 19.26631 8.196144 26.51904 10.05174 -7.252735      12.96975 
1 1 1 0   5  60 o 66.94116 4.449958 228.9420       28.99230 197.1000       45.38677 250.8911       37.68234 59.41090 8.008479 69.25303 5.606861 -9.842125      9.776125 
1 1 1 0   5  61 o 31.02838 10.06165 58.63082       34.92480 33.13000       48.75382 85.51000       50.05410 26.96887 11.20763 35.83083 12.06312 -8.861959      16.46602 
1 1 1 0   5  62 o 40.75924 7.046241 92.15499       27.09522 105.4000       52.59002 87.36860       31.61413 39.03064 12.31487 38.59199 8.590145 0.4386444      15.01488 
1 1 1 0   5  63 o 21.49447 7.389868 24.86414       18.79736 22.79434       26.65473 26.91195       26.51281 21.96713 8.575779 22.87912 8.648712 -0.9119854     12.17966 
1 1 1 0   6  0  o 931.5504 24.49350 42893.40       2231.447 44110.00       3220.527 41770.00       3094.717 939.8457 35.06926 914.7738 34.62468 25.07190       49.28205 
1 1 1 0   6  1  o 273.0496 5.294034 3652.068       141.4929 3691.482       201.5405 3613.760       198.6922 274.2953 7.513581 271.3926 7.486720 2.902679       10.60683 
1 1 1 0   6  2  f 646.9395 12.01952 20578.30       761.1268 20762.13       1083.613 20399.29       1069.321 648.0775 17.09703 642.4144 17.02038 5.663086       24.12471 
1 1 1 0   6  3  o 76.83186 2.384404 289.2411       17.91024 300.3046       25.57911 278.6001       25.08590 78.24640 3.347492 75.35706 3.409778 2.889343       4.778315 
1 1 1 0   6  4  o 332.3355 6.332849 5413.298       206.0071 5388.840       290.4120 5438.071       292.2729 331.2219 8.965796 332.7303 8.982298 -1.508423      12.69122 
1 1 1 0   6  5  o 138.0290 3.607585 933.5558       48.69905 885.6000       82.66757 959.0430       60.26635 134.2632 6.307946 139.8608 4.407732 -5.597656      7.695342 
1 1 1 0   6  6  o 274.0314 7.563740 3687.626       202.6878 3721.000       288.2821 3655.000       285.0331 274.8000 10.73820 272.3527 10.71286 2.447327       15.16820 
1 1 1 0   6  7  o 336.2217 9.114532 5560.400       299.6854 5482.000       419.6451 5642.000       428.1204 333.0068 12.89867 337.8196 12.97127 -4.812744      18.29288 
1 1 1 0   6  8  o 200.6044 5.838835 1974.839       114.5277 1907.000       158.4769 2049.000       165.6975 196.8594 8.242623 204.0601 8.313079 -7.200684      11.70676 
1 1 1 0   6  9  o 180.2221 5.395063 1593.429       95.06520 1585.000       133.8821 1602.000       135.0100 179.5289 7.636161 180.4881 7.659484 -0.9592896     10.81567 
1 1 1 0   6  10 o 181.9994 4.400897 1622.519       78.40024 1590.218       94.46758 1694.000       140.5307 180.0614 5.365876 185.6372 7.750979 -5.575745      9.427105 
1 1 1 0   6  11 o 584.3292 10.88706 16780.86       622.6938 16162.37       856.9685 17472.67       906.3490 572.0882 15.31745 594.7496 15.58222 -22.66138      21.85017 
1 1 1 0   6  12 o 473.6643 10.25335 11013.01       475.3819 10568.53       565.0280 12090.00       879.5182 463.5142 12.46508 494.3853 18.20604 -30.87106      22.06441 
1 1 1 0   6  13 o 489.5456 10.58113 11760.56       507.0275 11306.94       603.4219 12850.00       935.1413 479.5338 12.86733 509.9180 18.76775 -30.38425      22.75514 
1 1 1 0   6  14 o 461.2022 8.647597 10427.71       390.3850 10015.20       536.3182 10892.58       569.3354 451.4573 12.14771 470.7971 12.36529 -19.33978      17.33399 
1 1 1 0   6  15 o 440.7614 8.284770 9522.750       357.4293 9249.330       494.8590 9820.975       516.8185 433.8999 11.66218 447.0937 11.81992 -13.19376      16.60472 
1 1 1 0   6  16 o 233.7306 5.401354 2675.526       123.5732 2526.000       205.0140 2760.850       154.8680 226.7654 9.255805 237.2913 6.674293 -10.52591      11.41123 
1 1 1 0   6  17 o 348.3067 6.650424 5944.040       226.7344 5773.980       314.3376 6128.483       327.3605 342.9734 9.372099 353.3418 9.473645 -10.36835      13.32615 
1 1 1 0   6  18 o 435.1026 9.469946 9287.767       403.3160 9187.952       490.1661 9497.000       709.6768 432.3442 11.59310 438.5808 16.56096 -6.236633      20.21548 
1 1 1 0   6  19 o 240.4955 6.893789 2837.006       162.1148 2602.000       217.1344 3133.000       243.6859 230.0553 9.664036 252.4536 9.880570 -22.39833      13.82097 
1 1 1 0   6  20 f 207.2252 4.984709 2103.474       101.1087 2112.253       123.9322 2086.000       174.8442 207.5228 6.107802 205.9994 8.690722 1.523346       10.62233 
1 1 1 0   6  21 o 405.7266 7.677272 8075.734       304.8924 7929.668       425.6921 8229.587       436.8919 401.4196 10.84398 408.9293 10.92468 -7.509644      15.39288 
1 1 1 0   6  22 o 254.6253 5.857138 3178.160       145.9799 3220.086       180.1554 3098.000       249.1062 256.0947 7.194008 250.7863 10.16895 5.308395       12.45637 
1 1 1 0   6  23 o 247.6192 4.948678 3004.849       119.9443 2967.295       168.3986 3043.519       170.8824 245.8040 7.006268 248.9419 7.019838 -3.137909      9.917959 
1 1 1 0   6  24 f 430.3326 8.132089 9100.590       342.5410 9279.170       490.9946 8931.256       478.1143 433.4703 11.58245 425.2891 11.49582 8.181183       16.31891 
1 1 1 0   6  25 o 105.1318 3.156321 541.7906       32.44361 576.9971       46.98316 509.7011       44.85519 108.4161 4.436706 101.8812 4.509099 6.534927       6.325846 
1 1 1 0   6  26 o 85.27839 3.150360 356.6736       26.25175 363.9270       37.70419 349.8490       36.57281 86.04980 4.492002 84.36829 4.444340 1.681503       6.319038 
1 1 1 0   6  27 o 69.74075 3.986716 239.1315       27.10160 220.1000       50.60107 246.7869       32.09280 66.42171 7.940032 70.79418 4.657176 -4.372467      9.205074 
1 1 1 0   6  28 o 337.4069 7.521741 5600.190       248.4154 5514.000       426.7601 5644.361       305.5089 332.8247 13.12546 338.1742 9.238135 -5.349457      16.05057 
1 1 1 0   6  29 o 253.4417 5.079136 3151.522       126.0010 3225.339       181.0199 3082.143       175.4934 255.9634 7.232322 250.2244 7.172544 5.739044       10.18587 
1 1 1 0   6  30 o 201.7594 4.949089 1997.292       97.73840 2019.077       120.3053 1955.000       167.6263 202.6376 6.072237 198.9176 8.629732 3.720078       10.55198 
1 1 1 0   6  31 o 167.0217 5.447768 1371.349       88.94396 1371.349       88.94396 0.000000       0.000000 167.0217 5.447768 ?        ?        ?              ?        
1 1 1 0   6  32 o 205.0423 5.026066 2064.174       100.8737 2095.028       125.1670 2007.000       170.3849 206.3054 6.205360 201.3718 8.664500 4.933624       10.65739 
1 1 1 0   6  33 o 170.6832 4.479544 1430.862       74.77480 1428.000       127.1624 1432.375       92.44672 169.9346 7.664611 170.6134 5.543054 -0.6787720     9.458949 
1 1 1 0   6  34 f 309.6109 7.005384 4729.022       212.3022 4900.000       375.2251 4648.515       257.4787 312.3646 12.29626 306.2331 8.598310 6.131500       15.00430 
1 1 1 0   6  35 o 195.7178 4.875453 1883.242       93.40099 1875.000       159.2139 1887.566       115.3314 194.2545 8.393239 195.6172 6.030498 -1.362656      10.33506 
1 1 1 0   6  36 o 188.4070 4.142420 1744.110       76.39366 1769.521       108.8372 1719.433       107.2541 189.3097 5.880650 186.6089 5.879191 2.700714       8.315463 
1 1 1 0   6  37 o 184.3416 4.091923 1670.759       73.83409 1647.175       103.7436 1694.965       105.1041 182.5213 5.814281 185.1552 5.806503 -2.633896      8.217137 
1 1 1 0   6  38 o 73.98326 3.737523 269.7863       26.97829 292.0162       38.68455 248.7373       37.64290 76.73673 5.180611 70.73731 5.479303 5.999420       7.540656 
1 1 1 0   6  39 o 176.2089 4.643989 1533.295       80.02884 1515.305       97.26447 1571.000       140.8124 174.7800 5.692934 176.7317 8.161962 -1.951721      9.951237 
1 1 1 0   6  40 f 185.6667 4.160334 1700.171       75.60813 1647.927       85.78528 1882.000       160.0388 182.4963 4.806520 192.8383 8.499511 -10.34207      9.764441 
1 1 1 0   6  41 o 80.79363 3.688806 322.3863       29.09523 317.6509       33.31696 337.6000       59.71827 80.07467 4.266132 81.52956 7.569627 -1.454887      8.689024 
1 1 1 0   6  42 o 121.0090 4.119071 724.4475       48.71800 687.0028       58.09304 813.2000       89.43736 117.5135 5.062325 126.8233 7.234674 -9.309860      8.829929 
1 1 1 0   6  43 o 101.5383 3.607934 509.3806       35.80171 518.3435       41.40013 482.8000       71.29496 102.2759 4.144026 97.31976 7.543157 4.956139       8.606519 
1 1 1 0   6  44 o 116.5242 3.599971 671.0475       41.01097 657.3244       46.90372 715.6000       84.51178 115.1346 4.168815 118.5611 7.317968 -3.426453      8.422094 
1 1 1 0   6  45 o 54.10255 4.870399 146.9402       25.51641 143.3832       29.33401 158.0000       51.72562 53.18624 5.724674 54.04269 10.15092 -0.8564491     11.65389 
1 1 1 0   6  46 o 64.34892 4.954334 207.9670       30.96553 202.7770       37.65969 218.8000       54.40836 63.09433 6.176951 64.28691 8.883614 -1.192585      10.82004 
1 1 1 0   6  47 o 23.25451 9.218616 18.59469       31.21629 18.59469       31.21629 0.000000       0.000000 23.25451 9.218616 ?        ?        ?              ?        
1 1 1 0   6  48 o 48.06311 6.178651 119.5048       28.39616 116.6000       33.71154 126.6000       52.68636 46.83839 7.614386 46.66975 11.58700 0.1686401      13.86497 
1 1 1 0   6  49 o 62.98050 5.955952 204.0278       36.28051 170.8000       48.41109 246.6000       54.79708 55.77316 9.187369 67.72631 8.449239 -11.95315      12.48188 
1 1 1 0   6  50 o 67.18163 3.883290 225.9865       25.42739 221.9477       28.83702 240.1000       53.90650 66.33619 4.467178 66.58964 8.461227 -0.2534485     9.568074 
1 1 1 0   6  51 o 67.78064 3.882752 230.2205       25.65256 202.7211       28.89604 332.5000       55.72771 63.24427 4.701414 79.33596 7.256474 -16.09169      8.646369 
1 1 1 0   6  52 o 44.44757 5.254273 101.8230       22.41807 88.52276       25.51834 146.8000       46.92645 40.81401 6.613740 50.72148 9.806692 -9.907475      11.82847 
1 1 1 0   6  53 o 58.86021 4.213055 175.0956       24.11257 152.3064       27.03310 263.8000       53.33405 54.45910 5.131798 69.71478 7.958182 -15.25568      9.469319 
1 1 1 0   6  54 o 23.76138 7.541008 30.38652       19.69414 20.07250       22.11445 69.92000       43.29570 21.08369 7.914233 34.03288 11.21321 -12.94918      13.72484 
1 1 1 0   6  55 o 50.18594 4.503318 128.6098       21.88688 99.54335       29.71527 163.0781       32.35889 42.63261 7.388438 55.68974 6.032461 -13.05713      9.538322 
1 1 1 0   6  56 o 38.27953 5.585938 77.09429       20.31348 45.59816       28.09748 111.5832       29.40210 28.26547 9.011567 45.48150 6.813999 -17.21603      11.29774 
1 1 1 0   6  57 o 47.34188 4.594451 114.9987       21.02309 94.88295       28.43791 139.2406       31.21852 41.57407 7.251841 51.10534 6.379336 -9.531265      9.658422 
1 1 1 0   6  58 o 26.87140 7.888653 40.69432       22.10498 33.08816       26.84029 56.73000       38.97157 24.85846 8.811057 30.81114 10.63855 -5.952686      13.81352 
1 1 1 0   6  59 o 35.09042 6.306753 66.44297       20.86587 77.77838       28.94960 54.18738       30.10171 36.94165 8.218181 30.36817 9.274534 6.573486       12.39175 
1 1 1 0   6  60 o 50.68904 5.639633 135.1293       27.50829 141.8353       32.29437 117.4000       52.50980 51.32757 6.578995 42.15386 12.09569 9.173710       13.76912 
1 1 1 0   6  61 o 28.07892 8.335151 45.63553       24.56515 43.83000       33.44732 47.75000       36.19598 27.57221 9.829442 28.51787 10.21868 -0.9456615     14.17883 
1 1 1 0   6  62 o 55.37708 4.853097 159.2170       26.04039 182.9000       41.13267 143.3760       33.64027 57.21709 7.526728 51.08754 6.903790 6.129555       10.21342 
1 1 1 0   7  1  o 156.5709 3.383920 1200.313       51.86057 1211.147       73.74229 1189.712       72.94801 157.1669 4.799085 155.7691 4.790074 1.397766       6.780562 
1 1 1 0   7  2  o 56.66168 2.431909 157.4558       13.45646 157.9414       19.13700 156.9809       18.92538 56.68847 3.465396 56.51713 3.437295 0.1713448      4.880980 
1 1 1 0   7  3  o 790.9207 14.71445 30903.11       1139.156 31588.07       1636.855 30259.77       1586.352 795.5203 21.03944 778.7540 20.82971 16.76630       29.60633 
1 1 1 0   7  4  o 116.2930 2.818657 662.1360       32.08500 658.3854       45.25814 665.9255       45.49287 115.8724 3.996326 116.5349 3.994141 -0.6625290     5.650114 
1 1 1 0   7  5  o 212.8824 4.282013 2220.065       89.22654 2127.893       122.9711 2322.545       129.6656 208.2322 6.039599 217.5503 6.095189 -9.318100      8.580681 
1 1 1 0   7  6  o 160.7252 4.002027 1265.377       62.96080 1271.000       110.2320 1262.655       76.70340 160.7857 7.021056 160.4439 4.889815 0.3417816      8.556023 
1 1 1 0   7  7  o 278.5610 7.689917 3812.572       209.4751 3688.000       289.7343 3949.000       303.2100 273.4379 10.84670 282.9379 10.96907 -9.499969      15.42632 
1 1 1 0   7  8  o 249.4291 6.990490 3054.701       170.5032 2939.000       235.1340 3183.000       247.6048 244.2656 9.854608 254.1997 9.970591 -9.934143      14.01877 
1 1 1 0   7  9  o 144.7913 4.696764 1028.092       66.47716 985.4000       91.87604 1075.000       96.30614 141.6046 6.647102 147.9140 6.668940 -6.309418      9.415877 
1 1 1 0   7  10 o 441.4858 11.79216 9592.579       509.1281 9129.000       694.8435 10130.00       748.1385 429.5122 16.55844 452.3702 16.92577 -22.85803      23.67834 
1 1 1 0   7  11 o 408.8496 10.94011 8214.714       437.4222 8214.714       437.4222 0.000000       0.000000 408.8496 10.94011 ?        ?        ?              ?        
1 1 1 0   7  12 o 287.3623 6.438583 4045.519       181.1033 4045.519       181.1033 0.000000       0.000000 287.3623 6.438583 ?        ?        ?              ?        
1 1 1 0   7  13 o 265.9873 5.217430 3464.701       135.8388 3456.846       156.2604 3489.000       274.8289 265.6589 6.009224 266.4569 10.55820 -0.7980347     12.14851 
1 1 1 0   7  14 o 354.0682 7.777448 6143.929       269.5443 6030.000       459.6695 6203.632       332.7581 350.0388 13.44098 355.5311 9.570620 -5.492279      16.50021 
1 1 1 0   7  15 o 149.3134 3.891447 1092.254       56.82584 1147.000       98.96147 1065.322       69.40987 152.8664 6.629513 147.4186 4.816661 5.447784       8.194551 
1 1 1 0   7  16 f 297.5233 6.668899 4337.052       194.2144 4335.101       237.3893 4341.000       337.7411 297.2635 8.166294 297.1006 11.63630 0.1629333      14.21590 
1 1 1 0   7  17 o 128.5929 3.806205 810.3190       47.85610 907.2000       91.11879 773.4158       56.23677 135.8911 6.872630 125.5914 4.582292 10.29968       8.260172 
1 1 1 0   7  18 o 423.8509 8.005880 8808.433       332.1455 8754.433       466.7833 8863.814       472.7224 422.0152 11.31026 424.6333 11.38355 -2.618103      16.04703 
1 1 1 0   7  19 o 309.6913 5.985065 4699.375       181.4280 4604.729       253.1469 4799.333       260.1522 306.2639 8.452518 312.6670 8.508305 -6.403107      11.99318 
1 1 1 0   7  20 o 403.6280 8.830186 7997.069       348.8650 7886.291       422.9101 8233.000       617.1798 400.3842 10.80095 407.9984 15.48231 -7.614288      18.87756 
1 1 1 0   7  21 o 233.3490 4.709749 2667.540       107.5746 2725.216       154.2885 2612.978       150.0664 235.6466 6.695866 230.7433 6.651224 4.903259       9.437870 
1 1 1 0   7  22 o 542.5234 10.15173 14480.09       539.0943 14974.95       780.6964 14029.07       745.3221 550.0444 14.51302 532.4591 14.31349 17.58527       20.38391 
1 1 1 0   7  23 o 254.9946 5.068101 3187.042       126.4977 3301.497       182.9922 3082.294       175.0607 259.2342 7.218667 250.4831 7.147402 8.751083       10.15847 
1 1 1 0   7  24 o 623.2557 11.65666 19180.95       711.1260 19213.92       1006.921 19148.14       1004.452 620.7740 16.58612 619.7183 16.57367 1.055786       23.44751 
1 1 1 0   7  25 o 345.8349 6.634901 5871.938       224.5999 5816.871       315.5259 5928.500       319.7813 343.5421 9.391965 346.8158 9.428684 -3.273651      13.30823 
1 1 1 0   7  26 o 197.8929 4.176667 1919.290       80.90331 1928.618       114.7718 1910.077       114.0607 198.1461 5.924220 197.1915 5.916063 0.9546204      8.372347 
1 1 1 0   7  27 o 223.6507 4.578685 2452.488       100.2345 2434.710       141.1957 2470.548       142.3169 222.5412 6.488863 224.1739 6.492666 -1.632660      9.179329 
1 1 1 0   7  28 o 200.4929 4.911849 1971.753       96.39406 1830.000       161.7984 2049.751       120.0188 192.5155 8.607997 204.2183 6.010649 -11.70285      10.49883 
1 1 1 0   7  29 o 173.2420 4.492113 1472.810       76.11032 1442.000       132.4070 1488.014       93.01266 170.9331 7.935335 174.0228 5.467248 -3.089706      9.636407 
1 1 1 0   7  30 o 173.4680 4.460948 1476.826       75.68192 1417.686       91.15973 1608.000       135.7651 169.8337 5.490907 180.5248 7.700943 -10.69106      9.458044 
1 1 1 0   7  31 o 172.6364 4.487166 1463.090       75.76045 1418.529       91.83954 1558.000       134.0308 169.8497 5.531442 177.6266 7.727348 -7.776978      9.503093 
1 1 1 0   7  32 o 67.49534 4.591050 224.5939       30.15082 220.6417       36.16639 233.6000       54.59497 66.77834 5.584113 68.28676 8.340791 -1.508415      10.03749 
1 1 1 0   7  33 f 86.89819 3.937253 371.1823       33.40263 471.1000       57.90600 321.3552       40.89172 97.65433 6.088238 80.70270 5.204305 16.95163       8.009459 
1 1 1 0   7  34 o 128.5857 3.967350 812.1622       49.87462 805.1000       83.48411 816.0815       62.19304 127.5948 6.707995 128.7670 4.943543 -1.172180      8.332816 
1 1 1 0   7  35 o 119.5561 4.045757 702.6772       47.27720 737.6121       58.17055 634.7000       81.14385 122.3755 4.865967 113.0234 7.374959 9.352112       8.835590 
1 1 1 0   7  36 o 189.4917 4.181604 1764.732       77.56026 1800.704       90.59419 1666.000       150.0886 191.2162 4.844170 182.7692 8.412106 8.446945       9.707188 
1 1 1 0   7  37 o 61.09284 4.105255 184.3727       24.40665 198.3174       28.20454 142.8000       48.69867 63.30140 4.583005 52.49641 9.838633 10.80499       10.85369 
1 1 1 0   7  38 o 152.6965 3.726205 1146.586       55.69320 1135.871       64.00294 1180.000       113.0233 151.7990 4.311863 153.6046 7.540269 -1.805557      8.686070 
1 1 1 0   7  39 o 237.4761 4.928933 2786.979       114.5721 2688.249       129.3313 3147.000       246.9690 232.8661 5.674024 248.2750 10.18418 -15.40884      11.65813 
1 1 1 0   7  40 o 148.2678 3.721365 1083.530       53.96498 1057.621       61.60340 1169.000       111.8911 146.3086 4.306273 152.3747 7.525269 -6.066147      8.670275 
1 1 1 0   7  41 o 74.62077 3.862829 275.4063       28.11840 273.4482       32.38737 281.4000       56.66388 74.22066 4.478889 74.21542 7.922581 0.5249023E-02  9.100975 
1 1 1 0   7  42 o 83.38821 3.722031 343.7682       30.30365 335.0851       34.62322 372.2000       62.65128 82.18317 4.319223 85.47330 7.566554 -3.290131      8.712544 
1 1 1 0   7  43 o 87.90076 3.733457 382.2537       32.04940 335.3903       35.74652 574.3000       72.36356 82.13375 4.463142 106.4379 6.984308 -24.30418      8.288559 
1 1 1 0   7  44 o 92.38682 3.681293 422.3403       33.22356 400.0438       37.71958 499.5000       70.16875 89.72986 4.307187 98.96044 7.295240 -9.230583      8.471859 
1 1 1 0   7  45 o 70.43206 4.025229 246.6013       27.63472 234.5095       31.36156 288.6000       58.44802 68.48248 4.707187 74.52470 8.144873 -6.042213      9.407262 
1 1 1 0   7  46 o 82.25817 4.227065 337.1770       33.92073 337.1770       33.92073 0.000000       0.000000 82.25817 4.227065 ?        ?        ?              ?        
1 1 1 0   7  47 o 26.85162 8.576741 37.75895       25.44205 41.79007       29.77767 26.86000       48.96326 28.25819 9.298823 28.04446 11.39600 0.2137375      14.70840 
1 1 1 0   7  48 o 45.16443 7.564264 108.6870       32.25880 71.70000       41.02510 168.6000       52.21381 35.50047 10.82446 54.96236 10.07663 -19.46189      14.78876 
1 1 1 0   7  49 o 68.66829 3.871953 235.7765       25.91968 214.5198       29.04891 318.8000       57.40943 65.21269 4.579962 77.63726 7.653962 -12.42457      8.919596 
1 1 1 0   7  50 f 29.14758 8.443633 46.80192       25.47428 62.86198       31.08810 13.98000       44.44293 33.41409 9.209818 24.85511 10.53689 8.558983       13.99452 
1 1 1 0   7  51 o 38.37957 7.411816 79.69375       26.83579 77.65749       33.72243 83.21000       44.31421 36.97873 9.321035 37.43588 11.21495 -0.4571495     14.58276 
1 1 1 0   7  52 o 15.77837 6.856843 -0.6327999     19.71463 -3.321637      22.27945 9.070000       42.32244 16.23884 7.166085 23.52836 10.13527 -7.289528      12.41276 
1 1 1 0   7  53 o 62.45333 4.024395 196.5358       24.47060 185.7884       27.46626 237.9000       53.88398 60.40982 4.681511 65.62450 8.594939 -5.214687      9.787212 
1 1 1 0   7  54 o 20.08922 7.395965 18.64241       19.13639 12.58409       21.30819 43.90000       43.50775 19.03171 7.592905 28.87657 11.04045 -9.844856      13.39939 
1 1 1 0   7  55 o 24.48362 8.009871 32.60442       22.10800 32.48774       25.76691 32.93000       43.04093 24.71767 8.643720 26.78719 10.75588 -2.069519      13.79865 
1 1 1 0   7  56 o 68.58485 3.677108 236.5238       24.59519 229.5189       34.02354 244.1910       35.59539 66.64227 5.258410 68.69710 5.335376 -2.054825      7.491136 
1 1 1 0   7  57 o 43.82907 5.530530 100.7206       23.19936 91.84521       28.03535 120.0000       41.31973 40.87518 7.273758 45.12074 9.647891 -4.245564      12.08261 
1 1 1 0   7  58 o 25.85826 7.429355 37.29726       19.79770 47.20219       27.28013 26.27623       28.77609 28.61528 8.845731 23.47801 8.978223 5.137272       12.60379 
1 1 1 0   7  59 o 33.72219 7.678060 64.08423       24.77395 70.28638       28.82433 46.55000       48.46535 34.87152 8.518785 29.20704 11.51532 5.664490       14.32383 
1 1 1 0   7  60 o 42.69610 5.314016 95.48447       21.72911 101.3134       30.45812 89.44302       31.00846 42.65292 7.572761 39.56392 8.273616 3.088997       11.21603 
1 1 1 0   7  61 o 29.53476 7.124405 48.99135       20.35666 43.64671       28.61529 54.46751       28.96523 27.39434 9.119364 30.25870 9.067520 -2.864359      12.86012 
1 1 1 0   7  62 o 21.75703 8.496255 21.89072       26.16893 21.89072       26.16893 0.000000       0.000000 21.75703 8.496255 ?        ?        ?              ?        
1 1 1 0   8  0  o 203.8091 5.865007 2036.423       116.8816 2047.000       165.9049 2026.000       164.6930 204.1616 8.319352 203.1115 8.301386 1.050186       11.75264 
1 1 1 0   8  1  f 227.4419 4.530437 2534.430       100.8595 2532.996       142.6319 2535.864       142.6418 227.1654 6.421024 227.2943 6.417812 -0.1289520     9.078428 
1 1 1 0   8  2  o 198.2200 4.049544 1924.626       78.57056 1918.480       110.9051 1930.818       111.3272 197.7347 5.736165 198.3698 5.739531 -0.6350555     8.114542 
1 1 1 0   8  3  o 82.08876 2.533210 330.2224       20.33017 323.0567       28.58288 337.5594       28.92253 81.13743 3.607996 82.94437 3.570767 -1.806938      5.076221 
1 1 1 0   8  4  o 267.3248 5.208403 3502.707       136.2856 3517.979       193.2594 3487.600       192.2187 267.6041 7.385113 266.4464 7.377306 1.157745       10.43861 
1 1 1 0   8  5  o 491.9904 9.214402 11900.31       443.7415 11760.68       622.4769 12044.58       632.7394 487.8187 13.04814 493.6541 13.10631 -5.835358      18.49403 
1 1 1 0   8  6  o 180.7171 3.768706 1599.526       66.66497 1515.876       91.41854 1694.528       97.42485 175.7846 5.319210 185.8603 5.360817 -10.07564      7.551977 
1 1 1 0   8  7  o 88.14579 2.996422 380.8548       25.81540 416.0000       48.58760 367.0309       30.47239 91.97417 5.421052 86.49817 3.607011 5.476006       6.511401 
1 1 1 0   8  8  o 444.1380 11.86118 9714.504       515.1851 9289.000       705.7157 10200.00       753.8249 432.9763 16.68295 453.6325 17.00708 -20.65619      23.82355 
1 1 1 0   8  9  o 170.0868 5.219249 1418.453       86.79018 1361.000       119.7607 1482.000       125.9530 166.4485 7.368958 173.6991 7.425192 -7.250610      10.46112 
1 1 1 0   8  10 o 41.49960 8.117263 87.36000       31.79144 87.36000       31.79144 0.000000       0.000000 41.49960 8.117263 ?        ?        ?              ?        
1 1 1 0   8  11 o 500.8418 18.91596 12400.00       925.6651 12400.00       925.6651 0.000000       0.000000 500.8418 18.91596 ?        ?        ?              ?        
1 1 1 0   8  12 o 410.9430 11.01326 8293.610       442.6007 8104.000       615.9722 8496.000       636.3910 405.5173 15.54715 415.1973 15.68719 -9.680054      22.08623 
1 1 1 0   8  13 o 634.4233 16.76882 19838.16       1040.416 19040.00       1428.458 20740.00       1518.399 619.3810 23.60472 646.3109 24.04340 -26.92987      33.69374 
1 1 1 0   8  14 o 359.6039 7.890571 6338.130       277.7404 6224.507       335.1989 6587.000       496.0844 356.1098 9.625226 365.7762 13.88106 -9.666351      16.89168 
1 1 1 0   8  15 o 136.5745 3.266215 913.1224       43.66370 894.6713       48.98321 984.5000       96.34221 135.1317 3.706758 141.5750 6.973686 -6.443283      7.897617 
1 1 1 0   8  16 o 241.4873 6.941350 2860.000       163.9055 2860.000       232.0564 2860.000       231.5393 241.2345 9.848319 241.2367 9.826188 -0.2243042E-02 13.91199 
1 1 1 0   8  17 o 252.5751 5.014463 3124.374       123.9713 3038.576       140.1480 3433.000       265.8048 249.0554 5.748900 264.2585 10.29578 -15.20306      11.79208 
1 1 1 0   8  18 o 283.4827 5.536496 3936.812       153.6271 3907.084       176.2116 4031.000       313.6510 282.3664 6.375515 286.2125 11.21744 -3.846100      12.90264 
1 1 1 0   8  19 o 497.8607 13.26557 12216.76       645.8815 11750.00       888.4244 12740.00       940.6392 486.5658 18.68878 506.5582 19.00458 -19.99237      26.65417 
1 1 1 0   8  20 o 369.7226 8.139689 6708.559       294.5711 6555.534       354.8099 7048.000       528.4425 365.1010 9.937579 377.6053 14.32325 -12.50424      17.43304 
1 1 1 0   8  21 o 408.9305 7.736722 8207.599       309.6797 8341.450       442.9829 8079.659       433.0912 411.5062 11.00765 405.0101 10.93465 6.496155       15.51563 
1 1 1 0   8  22 f 219.7889 4.491564 2366.849       96.62947 2328.493       135.3496 2406.722       137.9984 217.7874 6.355982 221.4168 6.373961 -3.629333      9.001438 
1 1 1 0   8  23 o 274.1908 6.239107 3688.430       167.4486 3693.113       204.8533 3679.000       290.6789 274.0924 7.643003 272.9455 10.90199 1.146881       13.31424 
1 1 1 0   8  24 o 229.7962 5.402494 2589.610       121.5187 2573.106       147.8282 2624.000       213.3972 228.8547 6.606111 230.6468 9.472406 -1.792068      11.54847 
1 1 1 0   8  25 o 158.6656 5.273407 1236.032       81.78556 1138.000       111.3210 1351.000       120.5545 151.9810 7.506326 165.6329 7.454956 -13.65190      10.57929 
1 1 1 0   8  26 o 317.1050 6.146247 4936.864       190.7741 5322.944       283.2759 4616.428       258.0725 328.6094 8.814869 306.0563 8.623177 22.55304       12.33131 
1 1 1 0   8  27 o 158.2675 3.634683 1227.375       56.30728 1246.167       80.44782 1209.328       78.83762 159.2946 5.166325 156.9228 5.139579 2.371857       7.287399 
1 1 1 0   8  28 o 176.9136 3.888859 1534.026       67.34254 1567.885       96.30560 1501.629       94.20269 178.6394 5.514275 174.8208 5.511971 3.818558       7.796734 
1 1 1 0   8  29 o 141.4426 4.930727 982.7523       68.16049 982.7523       68.16049 0.000000       0.000000 141.4426 4.930727 ?        ?        ?              ?        
1 1 1 0   8  30 f 285.8664 11.49846 4065.000       321.0863 4065.000       321.0863 0.000000       0.000000 285.8664 11.49846 ?        ?        ?              ?        
1 1 1 0   8  31 o 157.1694 4.398955 1212.824       67.60775 1225.768       83.39252 1188.000       115.4824 157.8791 5.404270 155.0544 7.632413 2.824631       9.351997 
1 1 1 0   8  32 o 182.4999 4.658545 1635.982       83.15032 1718.812       103.7205 1487.000       139.1037 186.9032 5.676036 173.3126 8.223237 13.59061       9.991948 
1 1 1 0   8  33 o 193.1908 5.913912 1838.381       111.7007 1861.000       156.6762 1815.000       159.2935 193.7852 8.279006 191.2982 8.528529 2.486969       11.88603 
1 1 1 0   8  34 o 134.0355 4.111609 882.7957       53.87954 907.4003       66.43217 835.5000       92.10452 135.7617 5.007716 129.8330 7.276642 5.928772       8.833275 
1 1 1 0   8  35 o 80.61724 4.065655 320.0255       31.97868 322.2596       38.55493 315.1000       57.24707 80.78836 4.898583 79.42403 7.450678 1.364326       8.916766 
1 1 1 0   8  36 o 150.1778 4.257061 1109.835       62.51486 1109.835       62.51486 0.000000       0.000000 150.1778 4.257061 ?        ?        ?              ?        
1 1 1 0   8  37 o 100.1420 3.441303 493.1831       33.68213 475.8093       38.47307 550.2000       69.69662 98.27512 4.007922 105.0628 6.814055 -6.787666      7.905364 
1 1 1 0   8  38 o 202.6933 4.371586 2024.752       86.73306 2069.869       101.3171 1901.000       167.7998 204.6999 5.056605 194.1446 8.853288 10.55530       10.19559 
1 1 1 0   8  39 o 106.6854 3.476700 560.4555       36.25751 576.8228       42.28427 515.0000       70.46675 108.1272 4.002100 101.2600 7.155599 6.867134       8.198744 
1 1 1 0   8  40 o 95.31451 3.513508 447.9389       32.72369 425.8398       37.28188 522.1000       68.29636 92.80211 4.114479 101.8787 6.889212 -9.076569      8.024349 
1 1 1 0   8  41 o 134.8410 3.626216 896.9537       47.81758 896.5771       55.11662 898.1000       96.15179 134.6354 4.187409 133.2766 7.399552 1.358826       8.502221 
1 1 1 0   8  42 o 82.47736 4.289118 337.5644       34.50756 337.5644       34.50756 0.000000       0.000000 82.47736 4.289118 ?        ?        ?              ?        
1 1 1 0   8  43 o 50.41794 5.031806 127.7104       24.50090 130.9286       27.71513 116.2000       52.41537 50.88438 5.660181 45.82779 11.65874 5.056599       12.96008 
1 1 1 0   8  44 f 89.86502 3.607008 399.5971       31.66364 385.9973       35.71856 449.5000       68.42120 88.16401 4.150662 93.66199 7.526442 -5.497986      8.595076 
1 1 1 0   8  45 o 108.4773 4.064405 584.2532       43.07976 584.2532       43.07976 0.000000       0.000000 108.4773 4.064405 ?        ?        ?              ?        
1 1 1 0   8  46 o 37.51632 6.449071 73.27795       22.82885 67.93749       25.64322 93.68000       50.12107 35.73133 7.567738 40.58015 11.86922 -4.848820      14.07654 
1 1 1 0   8  47 o 57.18537 5.028502 165.4253       27.86050 166.4110       32.35748 162.6000       54.78224 57.02173 5.881623 53.77154 10.78393 3.250195       12.28360 
1 1 1 0   8  48 o 60.83796 4.214270 185.7941       24.94082 177.3144       27.99675 218.4000       54.89909 59.17673 4.876616 63.28942 9.125210 -4.112682      10.34654 
1 1 1 0   8  49 o 38.13476 6.782510 77.18401       24.38943 82.65858       28.85267 63.48000       45.64939 39.03507 7.824079 33.53750 11.51661 5.497574       13.92295 
1 1 1 0   8  50 o 42.62577 6.234684 95.21673       25.24389 58.53796       29.57348 193.7000       48.45921 32.29797 9.013391 59.61101 8.549471 -27.31305      12.42315 
1 1 1 0   8  51 o 49.00885 5.942579 124.9437       27.92557 129.3856       34.94953 117.1000       46.44220 49.05700 7.517585 44.63318 10.75751 4.423820       13.12395 
1 1 1 0   8  52 o 53.50784 5.551205 147.9912       28.65245 145.9868       35.56210 151.7000       48.37316 52.26823 7.137180 51.36508 9.980936 0.9031525      12.27023 
1 1 1 0   8  53 o 41.78065 5.244550 90.36369       20.97679 101.5100       23.63655 49.03000       45.51663 44.15694 5.593978 30.14213 11.34572 14.01480       12.64982 
1 1 1 0   8  54 o 20.37191 7.418438 19.68823       19.17214 12.73025       21.35060 48.66000       43.56684 19.05269 7.600729 29.66488 11.11396 -10.61219      13.46445 
1 1 1 0   8  55 o 36.92813 6.640567 73.80193       23.12079 73.80193       23.12079 0.000000       0.000000 36.92813 6.640567 ?        ?        ?              ?        
1 1 1 0   8  56 o 25.00446 8.616241 33.75712       25.55877 33.75712       25.55877 0.000000       0.000000 25.00446 8.616241 ?        ?        ?              ?        
1 1 1 0   8  57 o 26.60459 7.263514 39.41615       19.44226 38.46154       26.45274 40.53768       28.67217 26.25190 8.768679 26.87830 9.129632 -0.6263962     12.65859 
1 1 1 0   8  58 o 32.96468 7.543337 60.95364       23.81178 55.09988       28.05364 76.04000       45.03642 30.75359 8.846265 34.66492 11.43709 -3.911324      14.45902 
1 1 1 0   8  59 o 34.68353 6.326425 65.12619       20.68658 82.03848       28.89203 47.33590       29.63251 38.02375 8.015776 28.50920 9.269760 9.514551       12.25484 
1 1 1 0   8  60 o 19.09323 7.251555 16.04782       18.69076 -16.43322      25.53329 53.54589       27.43445 15.27081 7.095046 30.25546 8.761846 -14.98465      11.27429 
1 1 1 0   8  61 o 37.60112 5.692905 75.40804       20.29787 96.64161       28.37654 53.16041       29.04624 41.70260 7.212596 29.84751 9.109499 11.85509       11.61914 
1 1 1 0   8  62 o 29.87777 6.860881 50.18228       19.64080 65.68410       27.15441 33.17438       28.44293 33.36625 8.338307 24.55484 9.020729 8.811407       12.28417 
1 1 1 0   9  1  o 568.9111 10.61687 15934.75       591.2175 16269.96       848.7153 15618.75       824.0458 572.9169 15.14765 561.3908 15.00962 11.52612       21.32463 
1 1 1 0   9  2  o 862.6981 16.09879 36918.75       1359.434 37564.22       1946.804 36304.51       1899.143 863.8832 23.04353 849.4498 22.86171 14.43347       32.46016 
1 1 1 0   9  3  o 536.7151 10.02623 14170.04       526.7294 14129.86       743.2607 14210.59       746.5661 534.4015 14.22176 535.9176 14.24457 -1.516113      20.12874 
1 1 1 0   9  4  o 385.7178 7.292649 7299.900       275.3349 7266.601       388.1356 7333.631       390.6412 384.2112 10.33003 385.9763 10.34912 -1.765106      14.62237 
1 1 1 0   9  5  o 132.2903 3.077039 856.8698       39.84439 821.1806       55.20385 895.6804       57.56740 129.4051 4.364491 135.1545 4.357203 -5.749359      6.167172 
1 1 1 0   9  6  o 776.8585 14.44522 29778.48       1098.430 28841.73       1517.400 30809.76       1592.121 761.2252 20.38317 786.5818 20.69681 -25.35663      29.04878 
1 1 1 0   9  7  o 160.0413 4.029230 1255.036       63.06883 1216.000       108.6290 1274.885       77.46144 157.3337 7.071786 161.2565 4.913253 -3.922791      8.611052 
1 1 1 0   9  8  o 256.9636 7.187536 3239.050       180.6055 3207.000       253.6659 3272.000       257.2003 255.3940 10.16749 257.9688 10.20601 -2.574753      14.40627 
1 1 1 0   9  9  o 332.1134 12.80848 5429.000       415.5998 5429.000       415.5998 0.000000       0.000000 332.1134 12.80848 ?        ?        ?              ?        
1 1 1 0   9  10 o 324.9018 8.857908 5179.673       281.4389 4891.000       382.6142 5520.000       415.4383 315.3125 12.42122 334.9670 12.69360 -19.65451      17.75990 
1 1 1 0   9  11 o 653.9926 17.27179 21088.61       1104.679 20350.00       1522.384 21910.00       1605.424 640.0943 24.34256 664.0487 24.74251 -23.95441      34.70954 
1 1 1 0   9  12 o 213.0864 8.834597 2230.000       183.8678 0.000000       0.000000 2230.000       183.8678 ?        ?        213.0864 8.834597 ?              ?        
1 1 1 0   9  13 o 192.6154 8.247044 1822.000       155.1276 0.000000       0.000000 1822.000       155.1276 ?        ?        192.6154 8.247044 ?              ?        
1 1 1 0   9  14 f 133.5691 4.939528 874.8662       64.46871 907.0000       93.04913 845.2000       89.40506 135.8706 7.020303 131.1496 6.989728 4.720978       9.906611 
1 1 1 0   9  15 o 416.6304 11.18242 8528.974       455.6173 8515.000       643.7332 8543.000       644.9490 415.4609 15.85870 416.1436 15.86250 -0.6827087     22.43028 
1 1 1 0   9  16 o 179.1982 4.514923 1573.494       79.13055 1548.773       95.13356 1629.000       142.5520 177.7335 5.474904 182.1027 8.017084 -4.369171      9.708152 
1 1 1 0   9  17 o 244.0700 4.868311 2917.562       116.3052 2920.021       133.8821 2910.000       234.8102 244.1442 5.602348 243.2799 9.881190 0.8642731      11.35888 
1 1 1 0   9  18 o 261.9889 5.167777 3362.408       132.5235 3312.059       151.1248 3530.000       275.7187 259.9808 5.938660 267.8367 10.53752 -7.855957      12.09574 
1 1 1 0   9  19 o 463.5018 8.730008 10546.73       396.0703 10975.03       470.0402 9498.000       735.5179 472.5615 10.16180 437.5908 17.20545 34.97067       19.98224 
1 1 1 0   9  20 o 308.9145 8.517427 4689.528       257.2990 4606.000       359.7518 4777.000       368.1450 305.5233 12.05329 311.1393 12.11123 -5.615997      17.08694 
1 1 1 0   9  21 o 433.3260 8.176351 9222.309       346.8011 9203.368       399.6970 9280.000       697.5670 432.6272 9.438671 432.0340 16.52583 0.5931702      19.03133 
1 1 1 0   9  22 o 257.1540 5.910683 3243.232       148.7775 3105.740       176.7077 3578.000       275.7337 251.4158 7.187911 269.2932 10.48065 -17.87738      12.70866 
1 1 1 0   9  23 o 359.9686 6.881864 6361.841       242.4806 6318.792       278.4321 6497.000       493.3498 358.5620 7.933208 361.7346 13.95965 -3.172668      16.05639 
1 1 1 0   9  24 o 159.7291 4.230810 1251.161       66.08933 1237.869       79.88007 1280.000       117.6644 158.8016 5.145779 161.2225 7.476484 -2.420868      9.076170 
1 1 1 0   9  25 o 458.9815 8.667790 10372.92       389.4124 10509.32       453.6484 9991.000       759.1202 461.5117 10.04224 446.0578 17.42003 15.45395       20.10732 
1 1 1 0   9  26 o 137.0343 3.405903 919.9758       45.68437 930.1604       52.53793 888.4000       92.50763 137.7139 3.901459 134.2537 7.064413 3.460129       8.070149 
1 1 1 0   9  27 o 122.2043 3.302609 732.1680       39.46859 729.5927       44.97231 740.8000       82.33646 121.9565 3.771867 122.5660 6.890778 -0.6095047     7.855558 
1 1 1 0   9  28 o 223.8466 5.314450 2459.262       116.4434 2459.262       116.4434 0.000000       0.000000 223.8466 5.314450 ?        ?        ?              ?        
1 1 1 0   9  29 o 338.2118 7.552810 5632.631       250.0365 5632.631       250.0365 0.000000       0.000000 338.2118 7.552810 ?        ?        ?              ?        
1 1 1 0   9  30 o 180.1713 4.649111 1593.835       81.92168 1595.216       99.90685 1591.000       143.1218 180.1082 5.674109 179.4117 8.171286 0.6965027      9.948136 
1 1 1 0   9  31 o 196.0275 6.015152 1891.203       115.2804 1970.000       165.5353 1817.000       160.6372 199.5256 8.495345 191.5835 8.587907 7.942093       12.07986 
1 1 1 0   9  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   9  33 o 140.3222 3.598004 966.3986       49.37827 980.3194       57.18523 925.6000       97.89810 141.2656 4.140093 136.7127 7.342697 4.552902       8.429447 
1 1 1 0   9  34 o 160.6550 4.401829 1268.937       69.15508 1305.320       85.47765 1200.000       117.6608 162.7638 5.372594 155.4814 7.755690 7.282455       9.434802 
1 1 1 0   9  35 o 100.5056 3.929179 496.9118       38.57988 505.2657       46.97501 479.6000       67.62255 101.2292 4.754117 98.17078 7.084912 3.058441       8.532151 
1 1 1 0   9  36 o 282.0612 6.505590 3939.798       179.6124 4069.348       224.4305 3709.000       299.5558 285.6789 8.033949 270.2520 11.34933 15.42691       13.90510 
1 1 1 0   9  37 o 45.41716 5.828545 103.7010       25.31457 103.7010       25.31457 0.000000       0.000000 45.41716 5.828545 ?        ?        ?              ?        
1 1 1 0   9  38 o 83.43835 3.521043 342.9725       28.69234 350.6144       33.10470 319.9000       57.52229 84.28059 4.024506 79.66286 7.463820 4.617729       8.479697 
1 1 1 0   9  39 o 155.2416 3.760075 1186.974       57.13614 1225.008       66.77341 1083.000       110.4040 157.4875 4.335756 146.6204 7.719997 10.86702       8.854216 
1 1 1 0   9  40 o 107.1573 3.449894 566.0468       36.13827 550.3058       41.16947 618.9000       75.43887 105.5263 3.992938 110.8446 6.988612 -5.318260      8.048866 
1 1 1 0   9  41 o 62.01780 4.151112 190.9292       25.05411 196.9337       28.70049 171.7000       51.36050 62.86709 4.697984 57.11004 9.522919 5.757050       10.61871 
1 1 1 0   9  42 o 46.26085 5.239968 107.8492       23.30996 93.11712       26.10982 165.7000       51.74011 42.61509 6.461851 55.81513 9.829310 -13.20004      11.76311 
1 1 1 0   9  43 o 39.57890 6.079165 80.27523       22.79932 61.02916       25.41823 159.5000       51.57090 33.97278 7.807691 54.53145 10.03118 -20.55867      12.71160 
1 1 1 0   9  44 o 31.35131 8.018970 52.30920       24.70384 52.30920       24.70384 0.000000       0.000000 31.35131 8.018970 ?        ?        ?              ?        
1 1 1 0   9  45 o 26.41469 7.897819 36.51305       21.99299 25.52713       24.48456 82.40000       50.04018 23.55025 8.408391 38.48929 11.99387 -14.93904      14.64766 
1 1 1 0   9  46 o 68.00478 4.552396 231.7737       30.12846 203.0405       34.77292 318.3000       60.34255 63.21397 5.680320 77.95409 8.022627 -14.74012      9.829984 
1 1 1 0   9  47 o 36.19735 6.518983 68.85654       22.24803 69.97495       24.89482 64.42000       49.58295 36.22158 7.274464 34.28368 11.99035 1.937901       14.02449 
1 1 1 0   9  48 o 56.69463 4.251552 161.6093       23.42183 154.2256       26.18150 191.2000       52.41211 55.13666 4.902240 58.91294 9.405046 -3.776279      10.60598 
1 1 1 0   9  49 o 40.73802 5.297371 85.42900       20.62374 83.80257       23.13661 91.72000       45.50316 40.03341 6.096555 39.43526 11.24195 0.5981560      12.78865 
1 1 1 0   9  50 o 28.81998 9.772390 45.17168       32.85025 29.27000       49.53010 57.66000       43.89347 27.78527 11.39659 32.07135 11.27654 -4.286081      16.03255 
1 1 1 0   9  51 o 69.33041 4.445325 242.8920       30.00815 237.7786       36.01610 254.5000       54.26518 68.05996 5.451840 68.45149 8.266205 -0.3915329     9.902157 
1 1 1 0   9  52 o 32.88540 7.376878 59.29049       23.15945 59.87794       26.98941 57.65000       45.10182 32.63542 8.399718 31.80063 11.40533 0.8347874      14.16464 
1 1 1 0   9  53 f 70.30769 4.596710 251.2585       31.46067 233.9526       38.01086 288.9000       56.05897 67.07114 5.848257 72.80550 7.997916 -5.734360      9.908015 
1 1 1 0   9  54 o 19.74237 8.076619 11.95538       24.79463 38.44673       30.65530 -38.16000      42.16373 26.59925 9.417562 18.20810 8.659945 8.391148       12.79395 
1 1 1 0   9  55 o 61.46544 4.507129 192.7829       26.92819 192.7829       26.92819 0.000000       0.000000 61.46544 4.507129 ?        ?        ?              ?        
1 1 1 0   9  56 o 17.90144 7.519515 6.554363       22.29907 18.28287       25.91779 -26.87000      43.75303 21.27247 8.410338 19.49104 9.131970 1.781429       12.41478 
1 1 1 0   9  57 f 26.89477 7.886908 40.79857       22.10552 51.49805       25.57363 9.180000       43.96248 29.92961 8.392379 23.32596 10.18643 6.603653       13.19831 
1 1 1 0   9  58 o 42.54995 5.090000 94.19154       20.77929 92.30846       28.63738 96.28535       30.19733 40.82111 7.441160 41.53897 7.710692 -0.7178574     10.71567 
1 1 1 0   9  59 o 35.54061 6.004287 67.74827       20.14448 66.27596       27.72716 69.39419       29.31642 33.84397 8.407485 34.47940 8.690677 -0.6354332     12.09188 
1 1 1 0   9  60 o 27.57492 7.092695 42.61009       19.25203 34.92502       26.55641 51.12289       27.94998 25.13684 8.776184 29.47831 8.923573 -4.341473      12.51605 
1 1 1 0   9  61 o 39.43921 5.415709 82.32543       20.35540 90.62397       28.16139 73.24636       29.45600 40.16634 7.436663 35.25175 8.611592 4.914581       11.37820 
1 1 1 0   9  62 o 25.51159 7.295044 37.07135       19.13202 35.71003       26.05697 38.66368       28.18122 25.04477 8.696394 25.87252 9.040158 -0.8277493     12.54399 
1 1 1 0   10 0  o 452.9843 12.04374 10079.51       533.5377 10300.00       766.2485 9872.000       743.3452 457.0576 17.15790 447.4773 17.00216 9.580322       24.15506 
1 1 1 0   10 1  o 248.7334 4.902551 3030.877       119.3610 3061.033       169.8901 3001.482       167.7344 249.7480 6.956377 247.3067 6.936000 2.441223       9.823404 
1 1 1 0   10 2  o 319.7902 6.127656 5012.417       191.8076 5129.119       275.5105 4902.654       267.1944 323.1312 8.718665 315.9213 8.648704 7.209930       12.28068 
1 1 1 0   10 3  o 57.81110 2.782822 163.9941       15.70094 178.8017       22.44803 149.8121       21.96869 60.30600 3.822541 55.15776 4.098318 5.148235       5.604287 
1 1 1 0   10 4  o 584.7983 10.88907 16806.18       623.3087 16914.58       885.5156 16699.73       877.5221 585.2638 15.47103 581.5463 15.42948 3.717468       21.84999 
1 1 1 0   10 5  o 282.3607 5.476148 3905.670       151.3511 3805.521       210.3740 4013.123       217.9104 278.4802 7.725228 285.9744 7.792009 -7.494232      10.97245 
1 1 1 0   10 6  o 432.1932 8.121378 9159.015       343.5689 9018.101       480.6581 9306.223       491.2756 428.3031 11.47547 435.0842 11.54595 -6.781097      16.27868 
1 1 1 0   10 7  o 567.1539 12.22247 15803.50       678.5253 15328.39       813.4628 16890.00       1230.141 557.8438 14.91106 583.5708 21.57263 -25.72699      26.22438 
1 1 1 0   10 8  o 83.24768 2.948882 339.6685       23.99105 366.2000       49.66361 331.5927       27.40015 86.26254 5.917641 82.23007 3.411618 4.032471       6.830637 
1 1 1 0   10 9  o 81.21091 3.137483 323.3332       24.89340 386.7000       51.34678 303.8633       28.46196 88.65413 5.951570 78.69592 3.705337 9.958206       7.010756 
1 1 1 0   10 10 o 184.5994 5.635947 1670.533       101.7172 1530.000       137.2085 1842.000       151.5595 176.5040 7.962323 193.6956 8.011164 -17.19160      11.29501 
1 1 1 0   10 11 f 325.0252 12.59111 5197.000       399.8206 0.000000       0.000000 5197.000       399.8206 ?        ?        325.0252 12.59111 ?              ?        
1 1 1 0   10 12 o 415.9577 15.83127 8531.000       643.3951 0.000000       0.000000 8531.000       643.3951 ?        ?        415.9577 15.83127 ?              ?        
1 1 1 0   10 13 o 141.2269 5.012612 977.9769       69.18284 925.6000       96.23421 1034.000       99.52748 137.2466 7.188500 145.0935 7.028826 -7.846878      10.05380 
1 1 1 0   10 14 o 103.0289 5.051411 521.1054       50.78693 495.9000       71.61964 546.6000       72.02925 100.3221 7.344276 105.3798 7.023136 -5.057732      10.16183 
1 1 1 0   10 15 o 339.1954 9.252229 5648.563       306.8999 5726.000       438.1856 5574.000       429.9749 340.9721 13.15371 336.4208 13.08225 4.551270       18.55170 
1 1 1 0   10 16 o 883.2831 23.43386 38852.01       2024.259 37950.00       2813.525 39820.00       2914.619 865.4391 33.27500 886.1801 33.66232 -20.74097      47.33262 
1 1 1 0   10 17 o 323.8766 8.836744 5151.568       279.8801 5151.568       279.8801 0.000000       0.000000 323.8766 8.836744 ?        ?        ?              ?        
1 1 1 0   10 18 o 323.6039 6.227021 5133.070       197.2424 5229.596       230.2574 4867.000       382.2877 326.5468 7.203805 314.1334 12.45753 12.41336       14.39044 
1 1 1 0   10 19 o 233.5887 6.747165 2678.151       154.1076 2614.000       214.9509 2746.000       221.0597 230.4365 9.550455 236.1883 9.581810 -5.751740      13.52857 
1 1 1 0   10 20 o 387.4931 10.47632 7395.495       396.9906 7322.000       557.6789 7471.000       565.2568 384.3336 14.85210 388.2132 14.90310 -3.879547      21.04013 
1 1 1 0   10 21 o 276.6969 7.760607 3763.177       209.9795 3488.000       282.6666 4102.000       313.6572 265.8212 10.88676 288.2495 11.13777 -22.42831      15.57471 
1 1 1 0   10 22 o 243.4541 5.648025 2906.830       134.5922 2837.670       161.8302 3062.000       242.4023 240.3206 6.886686 249.1235 9.960754 -8.802902      12.10963 
1 1 1 0   10 23 o 193.4686 4.099929 1834.076       77.64135 1809.778       88.53367 1915.000       161.5692 192.1462 4.707284 197.1389 8.392179 -4.992722      9.622224 
1 1 1 0   10 24 o 134.5009 3.332672 886.1424       43.87568 882.0398       49.90908 900.1000       92.05688 134.1177 3.805631 135.1794 6.980930 -1.061691      7.950862 
1 1 1 0   10 25 o 290.1870 5.678457 4132.626       161.2926 4132.833       185.9843 4132.000       323.9495 290.0626 6.550560 288.7220 11.48573 1.340607       13.22240 
1 1 1 0   10 26 o 227.4594 4.641060 2537.133       103.3302 2554.971       119.4228 2484.000       206.1057 228.1839 5.346825 224.1839 9.413410 4.000000       10.82593 
1 1 1 0   10 27 o 123.4152 3.770114 747.1749       45.49039 747.1749       45.49039 0.000000       0.000000 123.4152 3.770114 ?        ?        ?              ?        
1 1 1 0   10 28 o 198.7570 4.859923 1938.147       94.54922 1938.147       94.54922 0.000000       0.000000 198.7570 4.859923 ?        ?        ?              ?        
1 1 1 0   10 29 o 292.2114 5.741154 4194.608       164.2111 4170.524       188.6254 4270.000       333.7287 291.1930 6.617792 292.9034 11.66359 -1.710388      13.41024 
1 1 1 0   10 30 f 226.7944 5.379840 2526.507       119.4285 2520.528       145.2234 2539.000       209.9135 226.2316 6.565028 226.2945 9.497883 -0.6289673E-01 11.54597 
1 1 1 0   10 31 o 115.8870 3.398648 658.8859       38.51037 667.1757       44.08792 632.2000       79.10248 116.5723 3.869190 113.0289 7.187037 3.543488       8.162360 
1 1 1 0   10 32 o 254.7667 5.136889 3189.805       128.1000 3193.042       147.7381 3180.000       257.1366 254.7216 5.925441 252.5454 10.42444 2.176147       11.99082 
1 1 1 0   10 33 o 314.0959 7.135463 4873.057       219.3768 5011.492       273.6357 4624.000       367.0276 317.6472 8.809294 302.9372 12.40394 14.71002       15.21385 
1 1 1 0   10 34 o 121.0878 4.000923 720.8450       47.35545 675.5038       55.98942 834.8000       88.76180 117.0801 4.896394 129.7325 7.016006 -12.65241      8.555642 
1 1 1 0   10 35 o 191.0086 4.846876 1797.355       90.54617 1807.455       110.7554 1777.000       157.2305 191.2366 5.923952 188.6317 8.537743 2.604935       10.39164 
1 1 1 0   10 36 o 162.3343 4.410100 1298.259       70.01039 1322.018       86.13310 1252.000       120.1854 163.5504 5.387723 158.3178 7.779426 5.232620       9.462930 
1 1 1 0   10 37 o 139.4995 5.031206 962.2206       68.58659 931.2000       93.71541 998.0000       100.6473 136.5657 7.034434 141.2836 7.302654 -4.717896      10.13963 
1 1 1 0   10 38 o 103.8549 3.889724 531.8940       39.47150 531.8940       39.47150 0.000000       0.000000 103.8549 3.889724 ?        ?        ?              ?        
1 1 1 0   10 39 o 91.20745 3.486410 410.0970       31.06809 409.2960       35.52833 412.7000       64.04492 91.01489 3.997762 90.40793 7.299230 0.6069641      8.322310 
1 1 1 0   10 40 o 113.4528 3.458361 634.6199       38.36050 639.5103       44.13031 619.5000       77.59570 113.7570 3.969342 110.7463 7.197155 3.010712       8.219168 
1 1 1 0   10 41 f 137.0572 3.600623 927.1354       48.26244 902.9717       54.77577 1011.000       102.0462 135.0725 4.147918 141.2412 7.407132 -6.168625      8.489454 
1 1 1 0   10 42 o 95.40364 4.134419 451.3054       38.51709 410.8620       45.29066 557.0000       73.21687 90.70373 5.122072 104.6866 7.188831 -13.98286      8.826942 
1 1 1 0   10 43 o 57.04083 4.962472 163.1632       27.43155 163.1632       27.43155 0.000000       0.000000 57.04083 4.962472 ?        ?        ?              ?        
1 1 1 0   10 44 o 97.93488 3.487495 474.4577       33.37823 448.7982       37.36570 575.8000       74.25808 95.07826 4.024100 106.1271 7.190904 -11.04883      8.240295 
1 1 1 0   10 45 o 50.10565 5.388363 127.3280       26.01227 111.7285       29.88406 176.1000       52.84091 46.42723 6.775597 57.00211 9.825187 -10.57489      11.93495 
1 1 1 0   10 46 o 45.05402 5.168472 103.2233       22.38080 101.1028       24.78265 112.6000       52.11324 44.35318 5.851000 44.14635 11.82377 0.2068329      13.19226 
1 1 1 0   10 47 o 20.16152 7.534213 17.14977       19.99512 19.63266       22.16048 6.275000       46.37780 21.31436 7.938281 24.47057 10.57579 -3.156208      13.22360 
1 1 1 0   10 48 o 50.54420 4.461925 129.0494       21.84851 124.0072       24.38192 149.6000       49.22353 49.29552 5.127915 51.46061 10.13298 -2.165092      11.35662 
1 1 1 0   10 49 f 46.24678 7.804480 115.5035       34.07291 116.6000       48.11014 114.4000       48.26297 44.50373 11.08576 44.01136 11.18242 0.4923668      15.74613 
1 1 1 0   10 50 o 44.20092 5.086932 100.2351       21.60781 86.38647       24.32212 152.1000       47.06899 40.48118 6.346674 51.92576 9.614751 -11.44458      11.52058 
1 1 1 0   10 51 o 58.94748 4.184837 175.3432       23.98927 162.8946       27.13425 219.9000       51.33521 56.46329 4.959942 63.30193 8.499581 -6.838638      9.840930 
1 1 1 0   10 52 o 39.15443 5.612706 80.12949       20.89659 74.82504       23.15609 103.4000       48.50071 37.39115 6.566343 40.95534 11.58333 -3.564190      13.31504 
1 1 1 0   10 53 o 50.22998 5.258699 130.4504       25.47244 143.3781       29.79514 95.34000       49.10243 52.32154 5.921777 38.94981 11.83539 13.37173       13.23419 
1 1 1 0   10 54 o 31.01938 8.127550 54.55775       24.96934 54.55775       24.96934 0.000000       0.000000 31.01938 8.127550 ?        ?        ?              ?        
1 1 1 0   10 55 o 30.75092 9.384725 55.36758       30.82844 55.36758       30.82844 0.000000       0.000000 30.75092 9.384725 ?        ?        ?              ?        
1 1 1 0   10 56 o 36.32592 9.066886 77.25584       32.13552 54.54000       46.07674 98.77000       44.84143 30.53843 11.43201 39.65207 11.11090 -9.113636      15.94186 
1 1 1 0   10 57 o 37.05921 6.618249 74.58136       23.12643 65.13890       26.80202 102.1000       45.75498 33.74856 8.196161 40.18189 11.21048 -6.433334      13.88711 
1 1 1 0   10 58 o 19.23156 7.236581 16.55472       18.51384 26.07129       25.04734 5.093576       27.48751 22.86427 8.453726 19.05094 8.186813 3.813328       11.76815 
1 1 1 0   10 59 o 56.43746 4.166526 162.2185       22.85466 154.1149       31.19931 171.6025       33.57391 53.88925 6.017324 56.80625 6.135313 -2.917004      8.593616 
1 1 1 0   10 60 o 53.91443 4.259287 148.6198       22.29504 160.3477       30.88696 135.8617       32.21483 55.02618 5.822787 49.97089 6.759322 5.055290       8.921507 
1 1 1 0   10 61 o 38.63813 5.385670 79.11707       19.81587 99.18581       27.11111 56.09822       29.03549 42.47968 6.745393 30.52092 9.062338 11.95876       11.29718 
1 1 1 0   10 62 f 25.38254 7.174579 36.72551       18.61263 48.50041       25.03076 22.16270       27.83672 28.57117 8.396348 21.97386 8.707105 6.597315       12.09596 
1 1 1 0   11 1  o 302.2131 5.824550 4474.276       172.2986 4455.591       243.0004 4493.167       244.3393 301.3230 8.246640 302.5908 8.257291 -1.267792      11.67004 
1 1 1 0   11 2  o 123.0130 3.035565 740.7813       36.55080 744.4409       51.89048 737.1774       51.49309 123.2253 4.308741 122.6225 4.296791 0.6027756      6.085036 
1 1 1 0   11 3  o 500.7117 9.359074 12299.05       458.6980 12266.60       647.9009 12331.65       649.4957 499.2862 13.26899 500.6098 13.26642 -1.323578      18.76337 
1 1 1 0   11 4  o 166.4414 3.592587 1356.256       58.52949 1426.959       85.18588 1293.032       80.55453 170.6198 5.106474 162.4099 5.073459 8.209808       7.198338 
1 1 1 0   11 5  o 458.9636 8.602668 10328.03       386.4716 10109.90       538.4402 10559.81       555.0449 453.5250 12.14006 463.4963 12.24493 -9.971313      17.24295 
1 1 1 0   11 6  o 598.2979 12.85623 17586.80       752.9000 17473.41       917.8669 17820.00       1316.318 595.5858 15.75836 599.4785 22.47245 -3.892700      27.44698 
1 1 1 0   11 7  o 639.6313 13.75289 20110.34       861.0529 19385.65       1027.462 21820.00       1578.143 627.1257 16.75307 662.7758 24.36765 -35.65015      29.57106 
1 1 1 0   11 8  o 562.6959 10.49589 15535.25       578.0950 16320.00       1195.426 15295.71       660.4573 574.0986 21.31004 558.1115 12.08976 15.98718       24.50061 
1 1 1 0   11 9  o 158.6012 4.095928 1232.389       63.53331 1229.000       112.6980 1233.967       76.92181 158.2012 7.297462 158.6639 4.959054 -0.4627228     8.822991 
1 1 1 0   11 10 o 777.0663 29.35039 30200.00       2228.419 0.000000       0.000000 30200.00       2228.419 ?        ?        777.0663 29.35039 ?              ?        
1 1 1 0   11 11 o 247.2871 7.028177 2998.859       169.9455 2906.000       235.9298 3099.000       245.0055 243.1779 9.932705 251.1308 9.987035 -7.952911      14.08544 
1 1 1 0   11 12 o 142.3629 5.024394 993.7778       69.90454 920.9000       96.28740 1075.000       101.6504 136.8929 7.211354 147.9458 7.039598 -11.05286      10.07768 
1 1 1 0   11 13 f 255.4771 7.253411 3201.420       181.2010 2963.000       243.9233 3495.000       270.6732 245.5021 10.17264 266.6426 10.39062 -21.14053      14.54124 
1 1 1 0   11 14 o 711.9634 18.83624 25076.92       1311.524 24350.00       1815.676 25870.00       1896.515 697.8348 26.63038 719.1069 26.99157 -21.27216      37.91730 
1 1 1 0   11 15 o 315.0857 8.659784 4873.918       266.8271 4653.000       365.8419 5125.000       390.0184 307.3870 12.18324 322.5934 12.37455 -15.20639      17.36551 
1 1 1 0   11 16 o 307.7029 8.492916 4649.207       255.5519 4273.000       341.3412 5129.000       385.4810 294.5092 11.86516 322.6426 12.22818 -28.13345      17.03850 
1 1 1 0   11 17 o 314.9340 8.673139 4872.543       267.1089 4487.000       357.2983 5361.000       402.1681 301.6573 12.12542 329.7015 12.48434 -28.04416      17.40358 
1 1 1 0   11 18 o 259.4628 7.338386 3305.446       186.1853 3265.000       261.5448 3347.000       265.1028 257.4500 10.40021 260.6662 10.41113 -3.216217      14.71584 
1 1 1 0   11 19 f 260.6348 5.963059 3330.673       152.1275 3363.628       186.9112 3266.000       261.8366 261.7010 7.303798 257.4055 10.41367 4.295471       12.71967 
1 1 1 0   11 20 o 209.5870 4.306625 2152.149       88.35023 2135.986       100.9599 2205.000       182.5653 208.7630 4.940705 211.5985 8.833965 -2.835449      10.12173 
1 1 1 0   11 21 o 162.8858 3.625025 1299.609       57.79633 1297.669       65.99067 1306.000       119.7535 162.6900 4.147340 162.8836 7.531504 -0.1936340     8.597906 
1 1 1 0   11 22 o 141.6145 3.958608 983.3501       54.81886 975.8896       65.96690 1000.000       98.54826 141.0145 4.786147 142.5168 7.086655 -1.502274      8.551484 
1 1 1 0   11 23 o 401.1842 7.630544 7912.212       299.6440 8088.056       351.2314 7442.000       574.3515 405.3061 8.853276 386.2492 15.22142 19.05695       17.60886 
1 1 1 0   11 24 o 69.57446 3.876680 237.9391       26.29634 247.5349       30.81063 212.2000       50.46106 70.91920 4.461043 65.17776 8.082615 5.741447       9.231986 
1 1 1 0   11 25 o 264.0211 5.240944 3420.073       135.4423 3394.920       155.2981 3500.000       276.8373 262.9420 6.033925 265.8460 10.66031 -2.904053      12.24951 
1 1 1 0   11 26 o 212.3196 5.057972 2211.702       105.1170 2211.702       105.1170 0.000000       0.000000 212.3196 5.057972 ?        ?        ?              ?        
1 1 1 0   11 27 o 134.4394 3.384512 886.1623       44.50240 870.9860       50.25509 941.3000       95.79021 133.2464 3.857231 138.1466 7.107834 -4.900192      8.086998 
1 1 1 0   11 28 o 237.6112 4.827748 2770.287       112.2840 2736.136       128.3041 2882.000       232.0534 236.0444 5.553167 241.1847 9.850240 -5.140305      11.30774 
1 1 1 0   11 29 o 187.9608 4.662323 1733.629       85.77800 1704.245       102.7962 1801.000       155.6521 186.1620 5.647840 190.8460 8.352544 -4.683975      10.08281 
1 1 1 0   11 30 o 153.8413 3.660024 1160.347       55.11414 1181.842       63.53523 1095.000       110.7799 155.1614 4.187181 148.8177 7.630491 6.343750       8.703843 
1 1 1 0   11 31 o 204.7590 4.349180 2057.774       87.16789 2135.681       102.2792 1851.000       166.6285 208.5019 5.011536 193.1480 8.837008 15.35396       10.15914 
1 1 1 0   11 32 o 218.1340 4.554734 2336.995       97.25064 2334.086       111.8584 2346.000       196.8259 217.8729 5.245168 217.1605 9.281069 0.7123871      10.66068 
1 1 1 0   11 33 o 185.2615 4.067729 1685.293       73.76384 1686.341       84.69235 1682.000       150.1249 185.1631 4.676610 183.9275 8.360591 1.235672       9.579674 
1 1 1 0   11 34 o 236.6317 4.845170 2755.620       112.2246 2805.933       130.5275 2613.000       219.7599 238.5650 5.589709 228.2645 9.858914 10.30046       11.33327 
1 1 1 0   11 35 o 176.4792 4.614906 1534.387       79.65076 1434.665       93.36604 1801.000       152.6625 170.3757 5.606176 189.8699 8.233864 -19.49419      9.961211 
1 1 1 0   11 36 o 114.9656 5.022467 653.4885       56.38219 590.0000       77.49323 724.9000       82.18649 108.5972 7.333189 120.5346 6.996053 -11.93732      10.13511 
1 1 1 0   11 37 o 107.6756 3.322182 570.3873       34.97251 563.7211       39.47698 594.7000       75.39077 106.9628 3.776478 108.9541 7.107974 -1.991356      8.048918 
1 1 1 0   11 38 o 38.08665 8.443797 75.93410       30.65222 91.97000       40.56825 54.60000       46.79257 41.63091 10.06705 33.65015 11.65540 7.980751       15.40110 
1 1 1 0   11 39 o 144.0976 5.197772 1031.741       73.19277 1031.741       73.19277 0.000000       0.000000 144.0976 5.197772 ?        ?        ?              ?        
1 1 1 0   11 40 o 79.75955 3.546002 314.1873       27.61473 308.6970       31.12372 334.5000       59.86600 78.95159 4.040838 81.00913 7.640113 -2.057541      8.642899 
1 1 1 0   11 41 o 93.91049 3.413768 435.3625       31.32788 405.5325       34.77356 563.9000       72.18341 90.50314 3.934760 105.4928 7.030629 -14.98965      8.056804 
1 1 1 0   11 42 o 120.2222 3.956684 715.7103       46.49758 715.7103       46.49758 0.000000       0.000000 120.2222 3.956684 ?        ?        ?              ?        
1 1 1 0   11 43 o 115.3459 3.467137 657.5630       39.10085 640.8984       44.07079 719.2000       84.75665 113.7027 3.965879 118.6680 7.332638 -4.965385      8.336413 
1 1 1 0   11 44 o 96.90120 3.951530 466.1083       37.40147 470.4022       44.39011 455.6000       69.44232 97.07150 4.685682 94.03838 7.609133 3.033127       8.936136 
1 1 1 0   11 45 o 77.01629 3.726697 294.7089       28.01057 268.4581       31.11811 406.8000       64.30247 73.29515 4.357085 88.62298 7.482522 -15.32783      8.658657 
1 1 1 0   11 46 o 58.95835 4.301042 174.3286       24.65060 170.3118       27.39762 191.4000       56.48158 58.07748 4.864103 58.79839 10.18238 -0.7209015     11.28452 
1 1 1 0   11 47 o 46.13803 5.093380 108.6050       22.61990 109.9741       25.42135 103.4000       49.56673 46.18097 5.747846 41.87313 11.66284 4.307838       13.00229 
1 1 1 0   11 48 o 33.97669 9.687344 65.34661       33.78584 92.65000       48.13812 38.84000       47.43052 39.49168 11.65406 29.16693 11.42416 10.32475       16.31957 
1 1 1 0   11 49 o 24.78631 7.431945 32.96775       19.45406 31.88516       21.36164 38.23000       47.09663 24.53766 7.861161 28.87644 11.36178 -4.338778      13.81622 
1 1 1 0   11 50 o 74.31028 3.632879 275.9914       26.34438 283.3264       29.96205 251.0000       55.30515 75.08540 4.092178 67.80634 8.520430 7.279060       9.452177 
1 1 1 0   11 51 f 15.95367 6.786269 2.464474       18.54201 0.6854783      20.57389 10.16000       42.79057 16.33584 7.051957 23.73090 10.20649 -7.395063      12.40575 
1 1 1 0   11 52 o 25.66628 7.255077 36.05101       19.03224 25.37803       20.93599 86.86000       45.67946 22.37947 7.793703 37.65005 11.41023 -15.27058      13.81793 
1 1 1 0   11 53 o 58.95208 4.077710 175.7938       23.38500 188.8823       26.17858 124.1000       52.02616 60.94735 4.418182 44.39895 11.77889 16.54840       12.58025 
1 1 1 0   11 54 o 46.85766 5.100773 113.7376       23.01782 113.7376       23.01782 0.000000       0.000000 46.85766 5.100773 ?        ?        ?              ?        
1 1 1 0   11 55 o 26.82385 8.336675 40.49708       24.19354 36.37000       28.66408 50.72000       45.11324 25.88245 9.111650 29.92568 11.28855 -4.043232      14.50701 
1 1 1 0   11 56 o 37.43681 6.264000 75.27632       22.14363 89.94590       25.58550 31.49000       44.20325 40.78375 6.637167 26.51421 10.80784 14.26954       12.68312 
1 1 1 0   11 57 o 45.70221 7.751326 116.2572       33.43749 134.3000       47.73846 98.88000       46.84958 46.79911 10.66035 39.30019 11.46986 7.498920       15.65888 
1 1 1 0   11 58 o 26.81424 8.105329 40.85587       23.07103 99.80000       43.81177 18.23883       27.13866 39.82124 10.91644 21.40594 8.559309 18.41530       13.87193 
1 1 1 0   11 59 o 19.13781 7.090132 17.01917       17.63448 3.441650       23.33503 35.09791       26.92664 17.52531 7.537323 25.24670 8.835574 -7.721394      11.61372 
1 1 1 0   11 60 o 25.96844 7.049629 37.87377       18.37523 47.74155       24.24221 24.54831       28.17110 28.67234 8.215823 22.76836 8.836710 5.903980       12.06595 
1 1 1 0   11 61 o 44.17777 4.808483 101.7454       20.45792 105.8401       27.87856 96.96761       30.11436 43.87310 6.704266 41.22938 7.746438 2.643719       10.24473 
1 1 1 0   12 0  f 537.4126 14.19003 14177.83       745.7914 14670.00       1080.496 13730.00       1030.683 545.8168 20.25930 528.0613 19.97645 17.75555       28.45167 
1 1 1 0   12 1  o 346.2579 6.599105 5873.754       223.6614 5906.520       317.6093 5841.522       315.0166 346.9190 9.361727 345.0061 9.336841 1.912933       13.22190 
1 1 1 0   12 2  o 353.3628 6.724824 6117.495       232.5990 6236.323       333.4687 6004.903       324.6000 356.4594 9.566024 349.7862 9.489450 6.673218       13.47436 
1 1 1 0   12 3  o 678.4933 12.59051 22612.89       836.1710 23162.83       1203.228 22099.25       1162.854 685.1724 17.95628 669.3030 17.76562 15.86932       25.25956 
1 1 1 0   12 4  o 186.7963 3.921555 1708.309       71.70227 1726.062       102.1496 1691.066       100.6712 187.6484 5.567578 185.7359 5.543567 1.912476       7.856784 
1 1 1 0   12 5  o 254.3152 5.781022 3167.780       143.9074 3139.843       175.5574 3225.000       251.2488 253.0430 7.094918 256.2083 10.03797 -3.165253      12.29222 
1 1 1 0   12 6  o 451.9695 9.792632 10019.83       433.2263 9928.208       527.3619 10210.00       759.7625 449.4901 11.99695 454.8911 17.09375 -5.401062      20.88357 
1 1 1 0   12 7  o 479.6602 8.978999 11281.55       421.5681 10879.02       580.9694 11729.20       612.6676 470.4213 12.62854 488.4358 12.82588 -18.01450      17.99953 
1 1 1 0   12 8  o 316.4153 8.622839 4912.347       266.8142 0.000000       0.000000 4912.347       266.8142 ?        ?        316.4153 8.622839 ?              ?        
1 1 1 0   12 9  o 151.3519 7.122681 1125.000       105.2247 0.000000       0.000000 1125.000       105.2247 ?        ?        151.3519 7.122681 ?              ?        
1 1 1 0   12 10 o 401.6429 8.785493 7910.568       345.3922 8298.000       617.5286 7734.190       416.6591 410.2448 15.40565 396.8045 10.73736 13.44025       18.77831 
1 1 1 0   12 11 o 434.6916 11.63274 9287.563       494.5145 8881.000       677.5529 9751.000       723.3938 424.1742 16.34958 444.4234 16.65870 -20.24918      23.34140 
1 1 1 0   12 12 o 490.8014 13.06759 11853.72       627.2216 11630.00       875.1658 12090.00       899.3805 484.8292 18.47527 494.2952 18.62208 -9.466003      26.23199 
1 1 1 0   12 13 o 293.6542 8.145551 4231.923       233.9070 4003.000       319.0377 4498.000       343.9546 285.2091 11.45134 302.3285 11.64471 -17.11945      16.33195 
1 1 1 0   12 14 o 345.4217 9.414001 5860.742       317.9984 5551.000       433.3888 6222.000       468.0432 335.5667 13.22036 355.2484 13.48456 -19.68179      18.88416 
1 1 1 0   12 15 o 261.2694 7.383905 3350.195       188.6449 3266.000       262.5844 3440.000       271.1921 257.6016 10.43552 264.3762 10.50058 -6.774658      14.80413 
1 1 1 0   12 16 o 507.2188 13.53865 12695.46       671.5657 11950.00       909.3048 13590.00       996.0922 490.1423 18.98906 522.5084 19.51028 -32.36606      27.22564 
1 1 1 0   12 17 o 313.3800 8.631277 4826.533       264.5080 4614.000       363.0444 5067.000       386.1669 305.7666 12.15429 320.4079 12.33609 -14.64133      17.31779 
1 1 1 0   12 18 o 326.8609 8.963868 5254.487       286.5197 5260.000       405.6895 5249.000       404.7122 326.2245 12.72932 325.8871 12.71179 0.3373718      17.98959 
1 1 1 0   12 19 o 284.6462 7.951349 3983.096       221.3231 3916.000       309.8383 4053.000       316.2567 281.6071 11.26321 286.4900 11.29996 -4.882904      15.95459 
1 1 1 0   12 20 o 152.6455 5.181322 1143.664       77.30382 1116.000       108.6742 1172.000       109.9858 150.5589 7.396824 154.3102 7.302471 -3.751343      10.39419 
1 1 1 0   12 21 o 185.5975 5.768901 1691.417       104.6752 1719.000       149.6577 1665.000       146.4603 186.7943 8.205218 183.8381 8.159462 2.956207       11.57162 
1 1 1 0   12 22 o 246.3703 4.910637 2976.103       118.4220 2927.772       134.7557 3140.000       248.1558 244.2908 5.635517 252.1279 10.07564 -7.837097      11.54459 
1 1 1 0   12 23 o 181.3828 4.543611 1613.942       80.60488 1587.489       96.99093 1673.000       144.9236 179.7888 5.517935 184.2162 8.056690 -4.427338      9.765135 
1 1 1 0   12 24 o 282.3714 6.424922 3916.792       177.5803 4059.753       221.8749 3662.000       296.2059 287.0989 7.902849 271.7983 11.15745 15.30054       13.67274 
1 1 1 0   12 25 o 379.4627 8.377073 7094.491       311.1484 7094.491       311.1484 0.000000       0.000000 379.4627 8.377073 ?        ?        ?              ?        
1 1 1 0   12 26 o 162.8305 4.342466 1301.022       69.14973 1306.789       84.11457 1289.000       121.4521 163.0899 5.276062 161.6233 7.699200 1.466599       9.333515 
1 1 1 0   12 27 o 195.8886 4.165947 1881.519       79.87835 1892.402       91.93608 1848.000       161.3439 196.3958 4.782417 193.3718 8.545292 3.024017       9.792524 
1 1 1 0   12 28 o 180.8379 5.574379 1607.884       98.55379 1486.000       129.7670 1774.000       151.4941 173.4832 7.660780 189.4657 8.188143 -15.98250      11.21308 
1 1 1 0   12 29 o 219.7046 4.534151 2368.690       97.50826 2370.192       112.0374 2364.000       197.9906 219.6809 5.210323 218.3739 9.283885 1.307053       10.64603 
1 1 1 0   12 30 o 72.80663 4.009493 260.8137       28.46339 252.7072       32.55785 287.1000       58.62778 71.59367 4.671467 75.82894 8.020225 -4.235275      9.281520 
1 1 1 0   12 31 o 123.6325 3.359951 749.9961       40.62272 750.0228       45.92123 749.9000       87.11382 123.5904 3.800486 123.0465 7.265221 0.5438766      8.199215 
1 1 1 0   12 32 o 116.0850 3.295551 661.3942       37.40853 668.6589       42.29652 635.3000       80.16168 116.6775 3.708200 113.1458 7.276638 3.531700       8.167019 
1 1 1 0   12 33 f 175.0279 4.580800 1507.306       78.41178 1437.958       92.82977 1680.000       146.4913 170.7356 5.562075 183.7469 8.165286 -13.01131      9.879705 
1 1 1 0   12 34 o 146.9302 4.186133 1062.232       60.14330 998.4601       70.48437 1233.000       115.3400 142.2695 5.069553 157.4038 7.507793 -15.13432      9.059102 
1 1 1 0   12 35 o 176.3703 3.939679 1529.692       68.01308 1544.998       78.16892 1482.000       137.9817 177.0621 4.513949 172.0459 8.217280 5.016129       9.375470 
1 1 1 0   12 36 o 158.5332 4.347835 1239.353       67.40453 1138.851       78.16026 1531.000       133.1456 151.6945 5.271940 174.7915 7.801825 -23.09698      9.416040 
1 1 1 0   12 37 o 112.2215 3.890575 620.9617       42.67158 593.9427       50.35424 689.8000       80.37433 109.5607 4.706400 117.3221 7.031184 -7.761383      8.460955 
1 1 1 0   12 38 o 51.33540 4.946045 131.6596       24.54584 129.1845       28.07079 139.7000       50.59348 50.66225 5.762932 51.27729 10.43543 -0.6150398     11.92097 
1 1 1 0   12 39 o 60.26704 3.974518 180.0511       23.31521 185.8357       25.95767 155.9000       53.03920 61.15249 4.365267 54.09034 10.39538 7.062149       11.27472 
1 1 1 0   12 40 o 89.55406 4.982509 399.5284       43.50349 399.5284       43.50349 0.000000       0.000000 89.55406 4.982509 ?        ?        ?              ?        
1 1 1 0   12 41 o 94.68217 4.994976 447.1470       46.12843 447.1470       46.12843 0.000000       0.000000 94.68217 4.994976 ?        ?        ?              ?        
1 1 1 0   12 42 o 94.10155 3.457540 437.6263       31.79298 414.3463       35.14804 542.4000       74.56514 91.42906 3.936674 103.0333 7.443718 -11.60423      8.420590 
1 1 1 0   12 43 o 27.99155 7.645166 41.41563       21.53419 40.74087       23.89741 44.33000       49.66476 27.83573 8.210404 31.38440 11.84310 -3.548666      14.41075 
1 1 1 0   12 44 o 73.55678 3.742120 268.6734       26.85451 266.6867       29.92196 276.9000       60.88837 73.14833 4.196681 72.43169 8.766309 0.7166443      9.719069 
1 1 1 0   12 45 o 158.1976 3.855221 1242.870       59.69739 1255.063       68.63815 1205.000       120.9652 158.5476 4.427158 151.7930 8.171587 6.754639       9.293792 
1 1 1 0   12 46 o 57.60627 4.313146 166.6895       24.14380 156.5543       26.85610 209.4000       55.13082 55.57669 4.989841 61.90813 9.392358 -6.331444      10.63555 
1 1 1 0   12 47 f 18.20794 8.348762 -17.55800      33.70889 -6.569000      49.50152 -27.06000      46.03062 23.51620 10.51128 20.63817 9.567269 2.878031       14.21336 
1 1 1 0   12 48 o 39.81910 5.280166 81.71568       20.07324 73.97771       21.89055 122.6000       50.31781 37.51580 6.175956 45.49166 11.34037 -7.975861      12.91304 
1 1 1 0   12 49 o 28.41544 6.943413 43.74260       19.14543 31.07331       20.90602 109.6000       47.66478 24.22563 7.778436 42.86916 11.22790 -18.64353      13.65905 
1 1 1 0   12 50 o 52.37593 4.340165 138.8544       22.05112 131.5714       24.70452 167.4000       48.90895 50.68171 5.046890 54.44368 9.524413 -3.761967      10.77894 
1 1 1 0   12 51 o 75.26118 3.617169 283.5518       26.56885 282.4429       29.98801 287.6000       57.29517 74.87268 4.107571 72.58006 8.208723 2.292618       9.179067 
1 1 1 0   12 52 o 20.24322 7.291620 19.56119       18.45687 23.00938       20.29858 3.104000       44.34531 21.56686 7.660650 22.97535 10.12563 -1.408487      12.69701 
1 1 1 0   12 53 o 35.77056 6.453733 68.94862       21.76537 68.94862       21.76537 0.000000       0.000000 35.77056 6.453733 ?        ?        ?              ?        
1 1 1 0   12 54 o 44.55214 5.284969 103.4308       22.59870 117.1586       25.91042 59.79000       46.19762 47.21164 5.723600 31.56488 11.51238 15.64677       12.85669 
1 1 1 0   12 55 o 33.64820 5.880487 60.41853       18.66320 55.71550       20.58219 82.17000       44.26365 31.86333 6.806062 36.11039 11.28463 -4.247061      13.17822 
1 1 1 0   12 56 f 38.46539 5.302572 77.56169       19.43412 81.07591       21.58257 62.50000       44.68127 39.08788 5.818052 31.92199 11.36291 7.165886       12.76579 
1 1 1 0   12 57 o 36.42851 7.357454 73.80161       25.33022 73.16000       30.66390 75.18000       44.94504 35.36935 8.873193 34.40695 11.42824 0.9624062      14.46852 
1 1 1 0   12 58 o 38.53328 5.755592 78.93579       21.04423 84.56000       31.52687 74.41609       28.26214 38.15317 8.643020 36.00880 8.202339 2.144371       11.91554 
1 1 1 0   12 59 o 45.72077 5.193542 109.2430       22.83116 121.2000       34.59509 100.0169       30.38861 46.39629 7.900578 42.25123 7.628594 4.145061       10.98247 
1 1 1 0   12 60 o 41.42742 6.525506 93.62078       25.58665 53.68000       48.64826 108.8945       30.08374 29.80391 11.59977 44.27703 7.187657 -14.47312      13.64614 
1 1 1 0   12 61 o 26.93406 9.012581 43.00091       27.94301 25.08000       46.48550 53.14000       34.96528 25.08849 10.71083 29.27050 10.07816 -4.182013      14.70684 
1 1 1 0   13 1  o 406.2932 7.666443 8090.136       304.8875 8324.915       439.9272 7873.150       422.9273 411.7096 10.92616 400.3908 10.80121 11.31876       15.36382 
1 1 1 0   13 2  o 143.8732 3.353112 1013.331       47.22089 968.7614       65.62218 1061.192       68.00224 140.5734 4.776089 147.1365 4.727818 -6.563095      6.720364 
1 1 1 0   13 3  o 321.7440 6.174736 5070.970       194.4621 5176.933       278.9444 4970.780       271.2393 324.8197 8.781480 318.2881 8.714350 6.531616       12.37151 
1 1 1 0   13 4  o 442.7660 9.606374 9615.838       416.3322 9582.656       508.8876 9683.000       723.9998 441.5995 11.78353 443.0057 16.72645 -1.406250      20.46034 
1 1 1 0   13 5  o 401.5247 8.755445 7905.162       344.1096 7821.698       418.6447 8079.000       604.1843 399.0703 10.72714 404.8627 15.27337 -5.792450      18.66407 
1 1 1 0   13 6  o 565.5728 10.53657 15698.04       583.3027 15357.99       812.0064 16060.61       838.4586 558.4610 14.86781 571.0674 15.01291 -12.60645      21.12910 
1 1 1 0   13 7  o 535.6943 11.54485 14091.84       605.3568 13840.00       1034.610 14222.94       746.4722 528.7422 20.02683 537.5344 14.19978 -8.792175      24.55011 
1 1 1 0   13 8  o 541.2458 14.36292 14423.77       760.2553 13300.00       1011.939 15880.00       1151.942 518.2538 19.98575 566.0832 20.82500 -47.82941      28.86366 
1 1 1 0   13 9  o 473.3042 8.876059 10986.85       411.2129 11010.00       823.7277 10979.17       474.5780 471.9590 17.86314 472.9723 10.25099 -1.013336      20.59550 
1 1 1 0   13 10 o 211.7713 4.972939 2196.396       103.0829 2651.000       204.8645 2042.275       119.2835 232.2991 9.026936 204.0876 5.977582 28.21150       10.82668 
1 1 1 0   13 11 o 262.7441 5.991975 3382.216       154.1023 3732.000       285.8310 3238.882       182.9722 275.4822 10.61998 256.9490 7.282325 18.53320       12.87697 
1 1 1 0   13 12 o 268.4880 7.544862 3537.125       198.0850 3382.000       272.1097 3712.000       288.9139 262.1927 10.62473 274.6880 10.76625 -12.49533      15.12603 
1 1 1 0   13 13 o 212.5707 6.293131 2216.483       130.7971 2117.000       180.2987 2327.000       190.0351 207.5035 8.897569 217.5650 8.942629 -10.06152      12.61496 
1 1 1 0   13 14 o 163.8564 5.359253 1316.904       85.83988 1299.000       121.0724 1335.000       121.7221 162.5538 7.630542 164.8019 7.565909 -2.248047      10.74561 
1 1 1 0   13 15 o 100.8967 4.824833 499.8686       47.51221 540.3000       69.19448 463.8000       65.35465 104.7477 6.785216 97.00182 6.928828 7.745895       9.697825 
1 1 1 0   13 16 o 268.3816 7.560968 3537.602       198.4281 3360.000       271.5767 3741.000       290.6309 261.0975 10.64868 275.4996 10.79833 -14.40210      15.16569 
1 1 1 0   13 17 o 431.6122 11.60434 9189.373       489.8085 9159.000       691.2525 9220.000       694.1441 429.1893 16.48503 430.6124 16.49914 -1.423065      23.32333 
1 1 1 0   13 18 o 123.4503 4.864069 748.0712       58.66069 741.5000       83.41686 754.5000       82.50809 122.7145 6.973374 123.8036 6.835115 -1.089058      9.764566 
1 1 1 0   13 19 o 466.7325 12.53574 10779.15       572.1777 10860.00       813.5269 10700.00       804.9050 465.8656 17.87358 462.4495 17.81505 3.416107       25.23571 
1 1 1 0   13 20 o 403.1566 10.91061 8027.458       430.1596 7949.000       604.3899 8108.000       612.3637 399.3482 15.49115 403.3045 15.54117 -3.956299      21.94320 
1 1 1 0   13 21 o 102.0904 4.829088 512.1326       48.11974 437.9000       66.42678 594.1000       69.80179 94.12492 7.266167 109.8073 6.523654 -15.68241      9.765000 
1 1 1 0   13 22 o 264.5509 7.508907 3444.162       194.2462 3373.000       271.3110 3519.000       278.2310 261.0802 10.63893 266.6682 10.68089 -5.587982      15.07542 
1 1 1 0   13 23 o 208.0328 8.909693 2137.000       181.0063 2137.000       181.0063 0.000000       0.000000 208.0328 8.909693 ?        ?        ?              ?        
1 1 1 0   13 24 o 332.0676 13.08229 5493.000       424.3907 5493.000       424.3907 0.000000       0.000000 332.0676 13.08229 ?        ?        ?              ?        
1 1 1 0   13 25 o 259.1859 5.984405 3299.647       151.8233 3417.146       189.3328 3088.000       254.1072 263.4181 7.350194 249.6122 10.42321 13.80588       12.75417 
1 1 1 0   13 26 o 313.5125 7.005520 4835.663       214.9817 4875.565       263.3761 4756.000       372.1380 314.2834 8.569475 309.0019 12.32848 5.281494       15.01423 
1 1 1 0   13 27 o 178.2570 5.511427 1562.105       96.04944 1618.000       133.9771 1503.000       137.7712 181.0656 7.576160 174.3972 8.092791 6.668365       11.08564 
1 1 1 0   13 28 o 314.6066 6.110471 4867.242       188.1693 4884.311       217.2598 4816.000       376.4396 314.9103 7.048331 310.4125 12.41443 4.497833       14.27575 
1 1 1 0   13 29 o 99.92281 3.078408 489.7662       30.07313 482.7708       33.20407 521.7000       70.94289 99.17909 3.425448 102.6450 7.104820 -3.465904      7.887468 
1 1 1 0   13 30 f 204.9496 4.307991 2061.770       86.42272 2063.579       99.05544 2056.000       176.8526 204.9456 4.937799 203.5071 8.899735 1.438553       10.17778 
1 1 1 0   13 31 o 214.4859 4.458831 2259.562       93.61079 2258.481       107.3210 2263.000       191.4098 214.3137 5.115976 213.2288 9.192498 1.084930       10.52023 
1 1 1 0   13 32 o 136.6800 4.023774 918.1979       53.77391 885.1068       63.40347 1003.000       101.4985 134.0643 4.839570 142.1755 7.318002 -8.111176      8.773517 
1 1 1 0   13 33 o 112.4546 3.233309 621.0097       35.55325 612.2332       39.76291 656.0000       79.39445 111.6053 3.644768 114.8565 7.096671 -3.251160      7.977911 
1 1 1 0   13 34 o 135.3250 3.414771 899.8730       45.19588 887.9250       50.80460 945.2000       98.95402 134.3467 3.867427 137.6964 7.368671 -3.349716      8.321918 
1 1 1 0   13 35 o 122.8263 3.330337 741.6911       40.00230 730.1581       44.87638 786.3000       88.25869 121.7897 3.768981 125.4400 7.218600 -3.650314      8.143305 
1 1 1 0   13 36 o 109.5780 3.234819 590.6113       34.65804 580.1722       38.74585 632.4000       77.52184 108.5297 3.652494 112.3460 7.085623 -3.816284      7.971623 
1 1 1 0   13 37 o 92.98958 3.244816 425.7362       29.48930 425.9203       32.97079 425.0000       65.93407 92.93996 3.631259 91.77441 7.402523 1.165543       8.245204 
1 1 1 0   13 38 o 107.8237 3.260704 572.6962       34.37420 561.3604       38.41797 618.2000       76.97177 106.6545 3.685549 110.6982 7.141815 -4.043701      8.036716 
1 1 1 0   13 39 o 76.81976 4.708046 293.5764       35.23131 293.5764       35.23131 0.000000       0.000000 76.81976 4.708046 ?        ?        ?              ?        
1 1 1 0   13 40 o 129.8750 4.904107 839.3434       62.23157 839.3434       62.23157 0.000000       0.000000 129.8750 4.904107 ?        ?        ?              ?        
1 1 1 0   13 41 o 175.6828 5.710937 1546.181       98.07660 1546.181       98.07660 0.000000       0.000000 175.6828 5.710937 ?        ?        ?              ?        
1 1 1 0   13 42 o 48.43496 7.284143 121.6758       33.46545 110.6000       42.56723 139.6000       54.15130 45.14202 9.906164 50.21978 11.29115 -5.077751      15.02072 
1 1 1 0   13 43 o 78.48808 4.424404 307.2261       33.85343 278.8725       39.37449 387.6000       66.29305 74.40827 5.443814 86.50550 7.916895 -12.09723      9.607931 
1 1 1 0   13 44 o 91.62521 3.491565 416.1277       31.25690 401.9615       34.64568 478.1000       72.46393 89.89203 3.947133 95.89846 7.786704 -6.006432      8.729983 
1 1 1 0   13 45 o 118.8575 4.072585 704.3507       47.31089 669.8762       55.52517 795.7000       90.38439 115.4185 4.926158 123.6800 7.501266 -8.261482      8.974187 
1 1 1 0   13 46 o 76.39941 6.010445 299.7194       44.58551 320.0000       64.09016 280.7000       62.06543 77.10405 8.640406 71.88671 9.018487 5.217339       12.48958 
1 1 1 0   13 47 o 51.18294 4.258768 132.0340       21.14298 121.6069       23.18229 183.6000       51.55314 48.87246 4.912592 57.50813 9.489064 -8.635666      10.68531 
1 1 1 0   13 48 o 64.42178 4.830241 210.6616       30.23667 173.6686       35.49065 308.6000       57.74718 57.68308 6.392984 75.93423 7.884008 -18.25115      10.15026 
1 1 1 0   13 49 o 20.62876 7.101524 21.03990       17.36088 23.79572       18.93811 6.532000       43.45243 21.73931 7.419151 23.50784 10.19806 -1.768526      12.61127 
1 1 1 0   13 50 o 75.05431 4.025350 283.3353       29.46414 297.9738       34.76374 246.0000       55.51841 76.62837 4.656780 66.73811 8.706139 9.890259       9.873321 
1 1 1 0   13 51 o 28.87196 6.557768 45.16143       18.10899 54.24417       19.79198 -1.534000      44.87637 31.68805 6.595793 22.58533 10.05738 9.102724       12.02728 
1 1 1 0   13 52 o 59.89317 4.265380 181.9243       24.84218 181.9243       24.84218 0.000000       0.000000 59.89317 4.265380 ?        ?        ?              ?        
1 1 1 0   13 53 o 36.16547 5.994464 69.65350       20.47758 62.99532       22.98434 95.28000       45.09196 33.79884 7.169848 39.03909 11.21099 -5.240257      13.30763 
1 1 1 0   13 54 o 26.94394 6.715339 39.93395       17.64687 48.62425       19.39340 -1.899000      42.54963 29.73126 6.810609 21.75782 9.733863 7.973444       11.87992 
1 1 1 0   13 55 o 18.38625 7.023679 14.26304       17.59873 12.53637       19.38247 22.37000       41.99852 18.38371 7.271563 24.78242 10.35858 -6.398714      12.65606 
1 1 1 0   13 56 o 33.57052 5.996804 60.47529       18.98217 55.68996       21.02159 81.61000       44.17818 31.73297 6.959775 35.82846 11.28477 -4.095499      13.25838 
1 1 1 0   13 57 o 44.80090 4.730638 103.5977       20.43208 103.6467       22.82626 103.4000       45.82830 44.50024 5.347428 40.33110 11.20733 4.169147       12.41770 
1 1 1 0   13 58 o 27.88050 6.775318 43.14442       18.30613 53.56263       24.50337 29.98470       27.53929 30.50588 8.079238 24.01775 8.867132 6.488136       11.99584 
1 1 1 0   13 59 o 16.24142 6.762474 6.035802       17.79849 30.61722       24.13149 -23.28927      26.35726 23.76449 8.360745 14.70916 6.951943 9.055328       10.87343 
1 1 1 0   13 60 o 31.69341 6.999737 56.44944       21.13429 86.38285       26.48462 3.972000       35.06726 39.30879 7.146485 20.43789 9.005928 18.87091       11.49691 
1 1 1 0   13 61 o 27.32982 7.616960 43.28797       21.13467 63.47000       32.24354 28.08522       27.98475 31.90010 9.568635 23.25917 8.863804 8.640930       13.04323 
1 1 1 0   14 0  o 93.46274 4.322894 428.5318       39.44041 449.2000       57.20047 409.8000       54.45507 95.58366 6.146355 91.27865 6.130396 4.305016       8.680982 
1 1 1 0   14 1  o 453.2023 8.509086 10070.59       377.4689 10252.55       540.7958 9897.731       527.1105 456.6920 12.10841 448.7300 12.01161 7.961914       17.05556 
1 1 1 0   14 2  o 95.72421 3.490781 449.1906       32.65297 438.0226       40.34410 470.4000       55.59747 94.48012 4.374352 97.82269 5.832917 -3.342575      7.290945 
1 1 1 0   14 3  o 164.7290 4.207884 1329.524       67.79293 1305.357       82.70847 1379.000       118.3436 163.1769 5.184855 167.5914 7.231194 -4.414474      8.897915 
1 1 1 0   14 4  o 438.1793 8.239084 9413.341       353.3759 9290.159       495.2449 9541.106       504.3784 434.7673 11.64792 440.5951 11.70565 -5.827789      16.51352 
1 1 1 0   14 5  o 400.7455 7.571144 7871.735       296.9863 7900.883       421.2614 7842.934       418.7538 401.0376 10.74117 399.5665 10.71657 1.471039       15.17292 
1 1 1 0   14 6  o 800.1490 21.14901 31734.05       1654.955 32590.00       2385.630 30940.00       2297.762 805.5623 30.30910 785.1105 29.95472 20.45172       42.61369 
1 1 1 0   14 7  o 460.8993 12.27338 10447.36       553.2095 0.000000       0.000000 10447.36       553.2095 ?        ?        460.8993 12.27338 ?              ?        
1 1 1 0   14 8  o 214.3621 5.073921 2250.576       106.4628 2339.000       190.2081 2210.237       128.4722 218.1823 8.925266 212.3041 6.188827 5.878189       10.86103 
1 1 1 0   14 9  o 151.5662 5.079624 1126.432       75.25340 1177.000       108.7686 1080.000       104.2254 154.7906 7.198528 148.2604 7.203511 6.530228       10.18378 
1 1 1 0   14 10 o 65.85572 3.069608 212.7827       19.73268 186.2000       48.86195 217.9630       21.56985 61.04317 8.400121 66.64073 3.317176 -5.597557      9.031372 
1 1 1 0   14 11 o 283.4081 5.526919 3935.177       153.3210 3960.000       310.0489 3927.143       176.3985 283.6146 11.19048 283.0693 6.366426 0.5452271      12.87471 
1 1 1 0   14 12 o 179.8943 5.635205 1587.322       99.10542 1504.000       136.5730 1680.000       144.0371 174.9052 7.998471 184.8781 7.978224 -9.972839      11.29724 
1 1 1 0   14 13 o 335.3181 9.166096 5526.392       300.5661 5385.000       417.8419 5678.000       432.6754 330.2967 12.94923 339.1526 13.05789 -8.855927      18.38997 
1 1 1 0   14 14 o 273.6348 7.681778 3677.355       205.5462 3515.000       282.4977 3860.000       299.6308 267.0582 10.82940 279.8546 10.95944 -12.79639      15.40731 
1 1 1 0   14 15 o 175.4789 5.565807 1510.917       95.47937 1397.000       130.0757 1644.000       140.5932 168.5005 7.908646 182.8244 7.874873 -14.32391      11.16066 
1 1 1 0   14 16 o 255.1034 7.260516 3196.972       181.1123 3185.000       255.8355 3209.000       256.4286 254.1427 10.30573 255.1028 10.29052 -0.9600983     14.56375 
1 1 1 0   14 17 o 231.5823 6.729814 2634.315       152.3891 2725.000       220.2254 2551.000       211.0864 235.1023 9.589960 227.4753 9.501169 7.626968       13.49961 
1 1 1 0   14 18 o 308.7693 8.551625 4692.580       258.2085 4622.000       361.6135 4766.000       368.8170 305.5665 12.11418 310.2818 12.16721 -4.715302      17.16958 
1 1 1 0   14 19 o 330.4304 9.089920 5379.473       293.7199 5234.000       407.9832 5536.000       423.1999 324.8465 12.85631 334.0625 12.96693 -9.216034      18.25996 
1 1 1 0   14 20 o 170.4829 5.518263 1427.298       91.96383 1440.000       131.1217 1415.000       129.0168 170.9441 7.857373 169.4592 7.799036 1.484924       11.07083 
1 1 1 0   14 21 o 79.24213 5.146125 309.2955       39.69971 330.3000       58.27038 291.1000       54.23438 81.63680 7.371487 76.60515 7.321854 5.031654       10.38982 
1 1 1 0   14 22 o 268.3655 10.85570 3568.000       284.5729 3568.000       284.5729 0.000000       0.000000 268.3655 10.85570 ?        ?        ?              ?        
1 1 1 0   14 23 o 162.7035 7.763124 1306.000       123.2778 1306.000       123.2778 0.000000       0.000000 162.7035 7.763124 ?        ?        ?              ?        
1 1 1 0   14 24 o 225.8197 6.667311 2509.137       147.2119 2548.000       210.5928 2472.000       205.8658 226.9425 9.501306 223.5446 9.429533 3.397858       13.38622 
1 1 1 0   14 25 o 152.2528 7.488691 1144.000       111.2610 0.000000       0.000000 1144.000       111.2610 ?        ?        152.2528 7.488691 ?              ?        
1 1 1 0   14 26 o 217.7248 9.244395 2347.000       196.5636 0.000000       0.000000 2347.000       196.5636 ?        ?        217.7248 9.244395 ?              ?        
1 1 1 0   14 27 o 96.64507 5.100617 459.9047       48.08043 466.0000       68.84190 454.1000       67.18052 96.98015 7.305819 95.74042 7.221972 1.239731       10.27287 
1 1 1 0   14 28 o 179.8785 5.558375 1591.743       97.74887 1763.000       140.4800 1431.000       136.0996 188.9000 7.613198 170.0222 8.202153 18.87779       11.19089 
1 1 1 0   14 29 o 327.5774 6.346510 5284.540       203.4957 5230.667       232.8043 5459.000       418.9437 325.5753 7.305219 329.4428 13.01743 -3.867432      14.92715 
1 1 1 0   14 30 o 149.9646 3.527416 1103.056       51.77877 1100.010       58.54183 1114.000       110.9733 149.6581 3.999901 149.9324 7.586305 -0.2742767     8.576201 
1 1 1 0   14 31 o 116.5186 3.199386 666.3301       36.45499 680.1340       40.98203 614.0000       79.79380 117.6809 3.561898 111.1617 7.375147 6.519234       8.190232 
1 1 1 0   14 32 o 88.53577 3.059295 384.9380       26.47240 379.5782       29.05783 411.1000       64.19850 87.88300 3.384267 90.80080 7.284247 -2.917801      8.032031 
1 1 1 0   14 33 o 102.0939 3.107587 511.9645       31.01869 525.2087       34.65475 458.6000       69.56264 103.3670 3.429860 95.78062 7.479056 7.586395       8.228014 
1 1 1 0   14 34 o 121.8990 3.257225 730.2832       38.82975 726.5985       43.54075 744.6000       85.82591 121.5235 3.664594 122.1060 7.212971 -0.5825119     8.090501 
1 1 1 0   14 35 o 41.13208 4.157557 84.17622       16.50928 80.63798       17.57989 110.6000       48.04189 40.18330 4.549499 45.65198 10.90178 -5.468678      11.81299 
1 1 1 0   14 36 o 110.4809 3.177948 600.4770       34.33117 593.6456       38.30118 628.4000       77.43547 109.7761 3.569242 111.8872 7.107290 -2.111115      7.953179 
1 1 1 0   14 37 o 117.2618 3.880278 678.7716       44.47617 680.7849       53.03556 674.0000       81.64783 117.2235 4.631289 115.6271 7.250543 1.596397       8.603442 
1 1 1 0   14 38 o 96.74016 3.554081 461.8667       33.59708 461.8667       33.59708 0.000000       0.000000 96.74016 3.554081 ?        ?        ?              ?        
1 1 1 0   14 39 o 96.29220 3.644415 458.1511       34.28788 458.1511       34.28788 0.000000       0.000000 96.29220 3.644415 ?        ?        ?              ?        
1 1 1 0   14 40 o 29.71016 6.288823 45.92897       17.71776 39.62584       18.94839 89.78000       49.97859 27.48412 7.019381 40.40782 11.86157 -12.92370      13.78291 
1 1 1 0   14 41 o 101.4484 3.729649 509.4034       36.97256 516.0063       42.77561 489.9000       73.51693 101.9184 4.297475 97.69135 7.751714 4.227013       8.863259 
1 1 1 0   14 42 o 21.34814 7.953925 18.77878       22.25207 18.77878       22.25207 0.000000       0.000000 21.34814 7.953925 ?        ?        ?              ?        
1 1 1 0   14 43 o 101.9824 3.939409 516.6705       39.25048 487.9692       45.13601 605.7000       79.49483 98.80345 4.680380 108.3549 7.542301 -9.551407      8.876501 
1 1 1 0   14 44 o 51.25000 4.427801 131.9817       21.99439 113.3068       23.77241 243.0000       57.96182 47.20928 5.232197 67.32628 9.022206 -20.11700      10.42958 
1 1 1 0   14 45 o 136.2737 5.507008 941.6339       73.30580 1021.000       106.8261 871.0000       100.7782 139.4364 7.858800 128.5454 8.049879 10.89098       11.24995 
1 1 1 0   14 46 o 51.81599 5.453458 137.6015       27.24516 102.8763       31.08143 252.8000       56.61117 43.83416 7.514361 68.35278 8.655092 -24.51862      11.46195 
1 1 1 0   14 47 f 31.27314 8.140727 53.98530       25.15830 47.65085       29.65033 70.27000       47.54065 29.37681 9.243874 34.76561 11.75635 -5.388802      14.95530 
1 1 1 0   14 48 o 40.01920 4.918547 82.15804       18.86212 81.29456       20.64092 86.53000       46.44520 39.59526 5.471843 37.95829 11.50585 1.636978       12.74071 
1 1 1 0   14 49 o 54.07642 3.991627 147.2368       20.97935 144.0049       23.25012 161.4000       48.67151 53.27597 4.500546 53.30975 9.684011 -0.3378296E-01 10.67872 
1 1 1 0   14 50 o 22.72871 7.057546 27.52746       17.34325 20.29106       18.82192 68.23000       44.63888 20.57397 7.369193 33.83689 11.39191 -13.26292      13.56763 
1 1 1 0   14 51 o 66.66589 4.737219 226.6112       30.71107 226.6112       30.71107 0.000000       0.000000 66.66589 4.737219 ?        ?        ?              ?        
1 1 1 0   14 52 o 23.01473 7.345724 28.54984       18.66551 30.94358       20.75209 18.41000       42.71093 23.89421 7.756505 24.49343 10.35403 -0.5992222     12.93713 
1 1 1 0   14 53 o 25.06849 6.878113 34.64006       17.38414 49.09025       18.99457 -39.90000      43.14074 29.93444 6.654969 18.23903 8.698499 11.69541       10.95228 
1 1 1 0   14 54 o 50.24768 4.193827 128.4735       20.43891 136.2071       22.80296 96.87000       46.09659 51.56916 4.564555 39.11804 11.36604 12.45113       12.24835 
1 1 1 0   14 55 o 33.26854 5.797697 59.05985       18.19383 61.48140       20.05660 47.81000       43.22985 33.71738 6.308959 29.11490 11.03513 4.602478       12.71130 
1 1 1 0   14 56 o 32.80269 5.941005 57.74528       18.37335 66.67077       20.21056 15.24000       44.10458 35.23346 6.079894 24.05165 10.35343 11.18181       12.00661 
1 1 1 0   14 57 o 62.01250 3.794293 194.4581       22.92094 193.1462       25.62919 199.7000       51.23034 61.53407 4.281845 58.56840 9.242463 2.965668       10.18613 
1 1 1 0   14 58 o 18.75683 7.487796 12.93780       20.73495 -0.3348381     23.44492 60.60000       44.42804 16.87417 7.402080 31.28502 11.30707 -14.41085      13.51446 
1 1 1 0   14 59 o 29.62625 6.723125 48.84282       19.04802 63.32999       25.77314 31.40470       28.27649 33.07916 8.039604 24.27649 8.981010 8.802668       12.05379 
1 1 1 0   14 60 o 42.69650 4.982714 95.62699       20.43302 111.7894       28.12106 77.54984       29.74018 45.17296 6.550756 36.15115 8.541183 9.021809       10.76402 
1 1 1 0   15 1  o 530.1407 11.44118 13805.45       593.7014 14109.43       738.4988 13250.00       998.2808 535.2536 14.10791 517.1302 19.75815 18.12341       24.27793 
1 1 1 0   15 2  o 154.3433 4.093513 1167.246       61.78836 1159.207       75.93365 1183.000       106.3000 153.7631 5.052030 155.2071 7.015191 -1.443985      8.644993 
1 1 1 0   15 3  o 631.1807 11.74085 19574.52       725.3694 20275.92       1052.365 18939.66       1001.201 640.8625 16.79073 619.4543 16.52700 21.40820       23.55993 
1 1 1 0   15 4  o 250.7960 4.984408 3080.569       122.3603 3168.069       176.3174 2999.278       169.9456 254.1403 7.094809 247.2773 7.028460 6.862976       9.986769 
1 1 1 0   15 5  o 423.1010 11.31818 8800.813       468.3133 8993.000       671.6768 8619.000       653.2958 426.7202 16.10985 417.7646 16.00575 8.955536       22.70928 
1 1 1 0   15 6  o 299.2726 8.219131 4395.779       240.5402 0.000000       0.000000 4395.779       240.5402 ?        ?        299.2726 8.219131 ?              ?        
1 1 1 0   15 7  o 132.6531 3.275482 861.5114       42.53035 882.9681       61.01578 841.2346       59.31430 134.1909 4.652326 130.9784 4.633810 3.212524       6.566303 
1 1 1 0   15 8  o 189.6067 4.004274 1760.438       74.31622 1642.297       101.1012 1899.306       109.6120 182.9977 5.650998 196.8060 5.696010 -13.80835      8.023609 
1 1 1 0   15 9  o 86.34843 3.615069 365.7227       30.48705 381.5000       58.41251 359.8158       35.74138 87.95019 6.838918 85.60834 4.278858 2.341850       8.067183 
1 1 1 0   15 10 o 250.6378 4.977994 3077.477       122.1258 3284.000       257.1929 3017.355       138.7680 258.3096 10.19214 248.1390 5.713314 10.17062       11.68425 
1 1 1 0   15 11 o 481.0028 9.041718 11362.59       425.7011 12810.00       927.9369 10976.76       479.0911 507.5165 18.71140 472.5103 10.35859 35.00616       21.38730 
1 1 1 0   15 12 o 304.2118 5.888647 4536.481       175.3468 5017.000       378.0478 4404.772       197.9243 318.8704 12.13443 299.6886 6.747184 19.18176       13.88413 
1 1 1 0   15 13 o 231.6261 6.708644 2633.807       151.9395 2564.000       211.6753 2708.000       218.2241 228.1804 9.498087 234.5068 9.526780 -6.326370      13.45263 
1 1 1 0   15 14 o 167.0542 5.405131 1369.413       88.26691 1304.000       122.1073 1441.000       127.7396 162.7888 7.684912 171.1493 7.644369 -8.360489      10.83948 
1 1 1 0   15 15 o 261.5448 7.405117 3361.484       189.3855 3324.000       266.0316 3400.000       269.6687 259.5518 10.49298 262.5022 10.51650 -2.950348      14.85596 
1 1 1 0   15 16 o 220.5428 6.488375 2389.037       139.9145 2328.000       194.8561 2454.000       201.0260 217.3128 9.181257 223.1188 9.224603 -5.805954      13.01494 
1 1 1 0   15 17 o 84.19794 5.059778 348.8267       41.50790 325.4000       58.79769 372.1000       58.60485 81.03944 7.497355 86.77299 6.958173 -5.733551      10.22871 
1 1 1 0   15 18 o 330.4291 9.091966 5380.361       293.7848 5355.000       414.3494 5406.000       416.6087 328.5112 12.91091 330.0711 12.91976 -1.559875      18.26504 
1 1 1 0   15 19 o 267.6303 7.585109 3524.378       198.5021 3412.000       275.3384 3646.000       286.4392 262.6183 10.73376 271.4703 10.80119 -8.852020      15.22758 
1 1 1 0   15 20 o 333.3894 9.175907 5483.338       299.1533 5283.000       412.7667 5705.000       434.1783 325.9488 12.96332 338.6704 13.12222 -12.72168      18.44560 
1 1 1 0   15 21 o 243.0192 10.03057 2922.000       238.0882 2922.000       238.0882 0.000000       0.000000 243.0192 10.03057 ?        ?        ?              ?        
1 1 1 0   15 22 o 156.9958 7.662762 1216.000       117.3994 1216.000       117.3994 0.000000       0.000000 156.9958 7.662762 ?        ?        ?              ?        
1 1 1 0   15 23 o 403.1859 10.97529 8059.532       432.7365 8191.000       619.1741 7934.000       605.0347 403.7658 15.69658 397.4467 15.58251 6.319061       22.11781 
1 1 1 0   15 24 o 164.0745 7.777800 1329.000       124.5563 0.000000       0.000000 1329.000       124.5563 ?        ?        164.0745 7.777800 ?              ?        
1 1 1 0   15 25 o 325.0115 12.88498 5277.000       409.0979 0.000000       0.000000 5277.000       409.0979 ?        ?        325.0115 12.88498 ?              ?        
1 1 1 0   15 26 o 128.3193 5.092906 809.7834       63.84111 762.6000       88.53118 860.9000       92.14729 124.1940 7.315042 132.0086 7.158168 -7.814560      10.23471 
1 1 1 0   15 27 o 152.7697 5.371194 1148.107       80.19331 1045.000       108.3517 1273.000       119.2511 145.3509 7.642591 160.4702 7.613812 -15.11937      10.78793 
1 1 1 0   15 28 o 180.0536 5.817481 1596.551       102.3935 1571.000       143.5729 1623.000       146.0721 178.0449 8.260804 180.9716 8.267981 -2.926712      11.68762 
1 1 1 0   15 29 o 91.12764 5.372366 409.8365       47.70795 412.4000       68.34303 407.4000       66.62812 91.00792 7.745531 90.48081 7.593040 0.5271072      10.84654 
1 1 1 0   15 30 o 78.94493 5.701651 308.5379       43.76180 340.3000       63.04281 279.0000       60.79543 82.51646 7.901708 74.51588 8.486245 8.000580       11.59540 
1 1 1 0   15 31 o 118.5326 5.123290 693.0656       59.30157 652.0000       82.90029 736.1000       84.86437 114.4586 7.439798 121.7184 7.154554 -7.259766      10.32174 
1 1 1 0   15 32 o 144.3201 3.422817 1022.572       48.35225 1014.684       54.25888 1053.000       106.5663 143.6496 3.862376 145.3986 7.513270 -1.749054      8.447909 
1 1 1 0   15 33 o 122.7327 3.880165 741.4526       46.55548 755.0240       55.44193 709.0000       85.73348 123.7125 4.586391 119.1213 7.389214 4.591164       8.696865 
1 1 1 0   15 34 o 47.96709 3.286753 113.5754       15.33855 117.5964       16.16214 77.11000       48.67067 48.79774 3.405073 38.54036 11.79756 10.25738       12.27912 
1 1 1 0   15 35 o 92.52384 3.015460 421.0092       27.27300 418.8280       30.02462 431.3000       65.21512 92.23441 3.331134 92.59475 7.253262 -0.3603363     7.981620 
1 1 1 0   15 36 o 83.93297 3.823813 347.9061       31.33236 341.8953       36.21452 365.8000       62.48381 83.06631 4.470483 84.97460 7.592183 -1.908287      8.810588 
1 1 1 0   15 37 o 96.87138 3.388528 462.7127       32.08068 462.7127       32.08068 0.000000       0.000000 96.87138 3.388528 ?        ?        ?              ?        
1 1 1 0   15 38 o 66.21202 4.796741 218.6051       30.87696 218.6051       30.87696 0.000000       0.000000 66.21202 4.796741 ?        ?        ?              ?        
1 1 1 0   15 39 o 144.4286 3.514267 1029.201       49.68142 1003.297       55.58970 1132.000       110.7397 142.3785 3.992757 149.0935 7.613398 -6.715012      8.596856 
1 1 1 0   15 40 o 44.34964 4.428577 98.52228       18.96796 93.98938       20.46233 126.2000       50.56292 43.18854 4.928504 47.93023 11.00956 -4.741695      12.06236 
1 1 1 0   15 41 o 62.23265 3.515626 191.9438       21.32836 193.5562       23.11389 182.7000       55.34120 62.42894 3.800523 58.21207 10.07720 4.216877       10.77005 
1 1 1 0   15 42 o 67.68439 3.464986 227.0274       22.87961 213.5303       24.69789 308.7000       60.75433 65.53559 3.867331 76.93530 8.193530 -11.39970      9.060363 
1 1 1 0   15 43 o 83.10715 3.713581 343.1271       30.13278 343.1271       30.13278 0.000000       0.000000 83.10715 3.713581 ?        ?        ?              ?        
1 1 1 0   15 44 o 107.2328 5.467193 582.3322       57.19562 570.7000       80.99916 593.9000       80.77496 104.1883 8.003762 106.4729 7.804757 -2.284622      11.17920 
1 1 1 0   15 45 o 51.95070 4.574929 136.4381       23.02646 117.0272       25.17123 236.0000       57.00690 47.74783 5.485240 65.74914 9.101732 -18.00130      10.62682 
1 1 1 0   15 46 o 61.11375 4.309593 188.0674       25.61460 193.1550       28.86219 169.2000       55.58151 61.72654 4.815023 54.14482 10.86551 7.581722       11.88460 
1 1 1 0   15 47 o 18.52720 7.059774 13.72675       17.75147 5.306290       19.20876 62.99000       46.46148 16.87097 7.024997 33.21672 11.60752 -16.34574      13.56779 
1 1 1 0   15 48 o 21.12989 6.775304 23.13488       15.86535 21.40573       17.02463 34.55000       43.74224 20.68695 7.034844 27.69957 10.93399 -7.012619      13.00158 
1 1 1 0   15 49 o 58.37373 4.973407 174.2967       28.14660 199.8542       33.46457 112.5000       52.03655 62.21087 5.553917 42.54193 11.98641 19.66894       13.21061 
1 1 1 0   15 50 o 46.85577 6.651216 117.0064       29.64885 117.0064       29.64885 0.000000       0.000000 46.85577 6.651216 ?        ?        ?              ?        
1 1 1 0   15 51 o 42.68755 7.181792 99.10723       28.94396 61.15000       36.62995 162.2000       47.22575 32.12465 10.29431 53.12888 9.426361 -21.00423      13.95812 
1 1 1 0   15 52 o 16.85876 6.596251 10.46177       15.79860 6.569176       17.04075 34.28000       42.15257 16.23522 6.674716 26.82741 10.68723 -10.59219      12.60034 
1 1 1 0   15 53 o 19.19380 6.800780 18.01942       15.98878 24.47898       17.30276 -19.73000      41.82817 21.51209 7.088719 19.66489 9.117469 1.847200       11.54895 
1 1 1 0   15 54 o 45.79056 4.308012 107.1913       19.08212 91.86282       20.84476 186.5000       47.41420 41.96194 5.185186 57.21021 8.744169 -15.24826      10.16596 
1 1 1 0   15 55 o 31.24584 5.985671 52.58191       17.64047 57.10851       19.40479 31.03000       42.34140 32.42767 6.340757 26.09395 10.59963 6.333723       12.35141 
1 1 1 0   15 56 o 33.11784 5.986911 58.94930       18.69340 70.87695       20.46560 -1.111000      45.92410 36.40395 5.948664 22.37891 10.05419 14.02504       11.68218 
1 1 1 0   15 57 o 65.69033 3.642307 217.6942       23.32817 224.2313       26.15901 192.3000       51.55822 66.44503 4.041207 57.06363 9.569090 9.381397       10.38744 
1 1 1 0   15 58 o 25.54606 7.741519 37.01379       21.02780 47.01634       23.62268 -1.159000      46.14778 28.51497 8.090455 22.22225 10.02293 6.292723       12.88079 
1 1 1 0   15 59 o 22.52670 7.218932 28.04940       18.01294 32.46477       24.17546 22.53899       27.00746 24.14604 8.376971 22.04189 8.624363 2.104143       12.02303 
1 1 1 0   15 60 o 23.66590 7.915547 31.57404       21.55475 25.40519       24.41277 53.39000       45.90943 22.22694 8.321147 29.27603 11.30292 -7.049089      14.03558 
1 1 1 0   16 0  o 456.4278 17.26134 10260.00       769.7850 10260.00       769.7850 0.000000       0.000000 456.4278 17.26134 ?        ?        ?              ?        
1 1 1 0   16 1  o 440.6866 9.592542 9533.441       413.7802 9952.350       522.2464 8827.000       678.1940 449.7490 11.87351 422.5021 16.43038 27.24695       20.27159 
1 1 1 0   16 2  o 614.4739 11.44749 18559.86       688.5251 19548.80       1010.747 17703.62       940.4881 628.9764 16.43137 598.6635 16.06412 30.31293       22.97925 
1 1 1 0   16 3  o 308.3504 6.899736 4660.869       208.2491 4799.708       260.1139 4413.000       347.5516 312.6632 8.507154 299.3318 11.88569 13.33136       14.61648 
1 1 1 0   16 4  o 412.0032 11.04143 8348.941       444.8776 0.000000       0.000000 8348.941       444.8776 ?        ?        412.0032 11.04143 ?              ?        
1 1 1 0   16 5  o 160.2183 3.625263 1256.921       56.85360 1222.769       79.66513 1292.369       81.16203 157.9040 5.161226 162.3433 5.113926 -4.439301      7.265707 
1 1 1 0   16 6  o 54.35173 3.758418 145.3462       19.87201 143.6299       28.53095 146.9633       27.69427 53.86454 5.487937 54.51780 5.254768 -0.6532631     7.598029 
1 1 1 0   16 7  o 216.1981 4.431695 2289.400       93.78385 2202.342       129.5971 2385.113       135.8871 211.8732 6.255890 220.4930 6.302650 -8.619812      8.880290 
1 1 1 0   16 8  o 286.3683 6.461308 4020.584       181.1138 4002.000       313.9652 4029.853       221.7241 284.9751 11.27787 286.4640 7.915038 -1.488953      13.77817 
1 1 1 0   16 9  o 507.3009 9.504777 12646.08       471.9693 13180.00       973.3762 12481.97       539.6516 514.3060 19.37000 503.6684 10.94618 10.63766       22.24895 
1 1 1 0   16 10 o 242.4655 4.852555 2880.459       115.1666 3502.000       264.5840 2735.174       127.9206 266.6549 10.15552 236.2321 5.532168 30.42276       11.56458 
1 1 1 0   16 11 o 186.3052 4.523460 1700.506       82.49013 0.000000       0.000000 1700.506       82.49013 ?        ?        186.3052 4.523460 ?              ?        
1 1 1 0   16 12 o 260.5433 5.153409 3327.134       131.4258 3217.000       259.2667 3365.221       152.4667 255.4165 10.39200 261.9670 5.945964 -6.550507      11.97281 
1 1 1 0   16 13 o 213.8445 5.079852 2241.500       106.3299 2410.000       194.8991 2170.095       126.8748 221.1906 9.020885 210.2442 6.171852 10.94638       10.93015 
1 1 1 0   16 14 f 514.8808 13.78791 13142.00       694.2570 12980.00       973.0361 13310.00       990.8617 508.4099 19.58945 514.7661 19.70150 -6.356262      27.78301 
1 1 1 0   16 15 o 341.4434 9.350175 5744.332       312.2019 5530.000       430.1177 5983.000       453.8805 333.8990 13.18623 347.2584 13.37814 -13.35941      18.78434 
1 1 1 0   16 16 o 368.9172 10.04422 6714.622       362.3657 6538.000       503.1201 6905.000       522.3453 362.5821 14.20365 372.5732 14.35002 -9.991089      20.19076 
1 1 1 0   16 17 o 91.66666 4.941537 413.2067       44.17447 436.6000       63.90506 391.8000       61.13147 94.01655 6.994348 89.02475 7.073439 4.991798       9.947584 
1 1 1 0   16 18 o 36.75714 8.909119 69.21458       31.71590 99.20000       45.96727 41.97000       43.81611 43.94538 10.77135 31.50312 11.24818 12.44226       15.57381 
1 1 1 0   16 19 o 214.5760 6.407341 2263.579       134.4245 2342.000       194.5952 2192.000       185.9119 217.7607 9.149875 210.6832 9.036119 7.077515       12.85969 
1 1 1 0   16 20 o 183.0156 8.240104 1653.000       147.2352 1653.000       147.2352 0.000000       0.000000 183.0156 8.240104 ?        ?        ?              ?        
1 1 1 0   16 21 o 82.59284 5.464924 336.2928       43.93228 374.3000       63.59616 301.6000       60.76007 86.88606 7.552779 77.83912 8.092692 9.046944       11.06960 
1 1 1 0   16 22 o 223.1618 6.626904 2450.574       144.5957 2370.000       200.9983 2537.000       208.1684 218.8586 9.404531 226.4496 9.412066 -7.590958      13.30534 
1 1 1 0   16 23 o 79.26083 7.535416 312.1000       57.75935 0.000000       0.000000 312.1000       57.75935 ?        ?        79.26083 7.535416 ?              ?        
1 1 1 0   16 24 o 193.7155 6.087415 1846.344       115.2827 1749.000       160.1618 1951.000       166.0673 188.0056 8.727069 198.6271 8.561708 -10.62154      12.22557 
1 1 1 0   16 25 o 199.7369 6.171285 1963.920       120.5088 1914.000       167.8701 2017.000       173.1006 196.6035 8.745088 201.8239 8.783364 -5.220337      12.39452 
1 1 1 0   16 26 o 246.5132 7.170611 2997.525       172.8386 3079.000       248.3523 2921.000       240.6893 248.8491 10.21764 242.3883 10.16727 6.460724       14.41435 
1 1 1 0   16 27 o 127.7146 5.168057 802.8700       64.47273 821.8000       90.77509 783.6000       91.58677 128.8661 7.225443 125.7773 7.472850 3.088821       10.39474 
1 1 1 0   16 28 o 203.1481 6.279676 2035.351       124.7195 2020.000       175.5365 2051.000       177.2359 201.5982 8.917655 203.1358 8.935583 -1.537643      12.62415 
1 1 1 0   16 29 o 211.2735 6.468691 2204.460       133.6152 2109.000       184.3933 2310.000       193.8845 205.7032 9.181075 215.2829 9.222207 -9.579620      13.01312 
1 1 1 0   16 30 o 168.5305 5.646108 1401.703       93.00800 1421.000       132.5748 1383.000       130.5157 168.9719 8.038730 166.6980 8.022374 2.273895       11.35692 
1 1 1 0   16 31 o 130.5140 5.179453 840.8325       66.03648 845.9000       94.02692 835.9000       92.76524 130.3324 7.400857 129.5744 7.344152 0.7580414      10.42637 
1 1 1 0   16 32 o 162.4020 5.590422 1304.702       88.73483 1200.000       120.4425 1429.000       131.2304 154.8866 7.971188 169.0622 7.952443 -14.17567      11.25972 
1 1 1 0   16 33 o 101.8583 5.208179 513.9977       51.75405 513.4000       73.04980 514.6000       73.33358 101.1708 7.428409 101.2828 7.449210 -0.1119080     10.52008 
1 1 1 0   16 34 o 189.9625 6.075278 1794.653       112.8188 1749.000       157.3110 1843.000       161.8871 186.0068 8.664013 190.9347 8.684801 -4.927963      12.26747 
1 1 1 0   16 35 o 79.80579 5.402442 317.3425       41.95305 365.9000       60.83213 273.3000       57.93498 85.09466 7.376168 73.16072 8.232901 11.93394       11.05389 
1 1 1 0   16 36 o 124.7549 7.381211 786.5000       89.73170 786.5000       89.73170 0.000000       0.000000 124.7549 7.381211 ?        ?        ?              ?        
1 1 1 0   16 37 o 105.9303 3.028397 552.5857       31.36846 540.6451       34.24220 614.9000       78.22473 104.7075 3.345301 110.1608 7.295657 -5.453270      8.026060 
1 1 1 0   16 38 o 56.74611 3.026862 158.9711       16.75178 148.3678       17.60809 260.1000       54.37897 54.77006 3.299755 71.07760 7.952276 -16.30754      8.609709 
1 1 1 0   16 39 o 63.93350 3.240144 202.0240       20.21067 184.1565       21.55112 332.4000       58.21515 60.95612 3.628406 80.54845 7.468735 -19.59233      8.303453 
1 1 1 0   16 40 o 91.11743 3.060375 409.6303       27.25622 390.2081       29.49870 523.0000       71.26921 88.84486 3.398332 101.1770 7.244318 -12.33215      8.001800 
1 1 1 0   16 41 o 58.11888 4.581911 169.1369       25.85506 142.1228       28.89333 277.7000       57.92207 52.91993 5.666008 72.93372 8.258690 -20.01378      10.01547 
1 1 1 0   16 42 o 66.79935 3.266942 221.0277       21.29613 214.0280       22.77016 269.9000       60.16719 65.65782 3.556292 71.35392 8.800917 -5.696098      9.492278 
1 1 1 0   16 43 o 25.24200 10.08895 22.41004       37.68929 12.95000       54.55083 31.05000       52.13276 27.10142 11.58739 29.10648 11.78409 -2.005060      16.52671 
1 1 1 0   16 44 f 32.99925 5.427351 56.42372       16.92174 56.42372       16.92174 0.000000       0.000000 32.99925 5.427351 ?        ?        ?              ?        
1 1 1 0   16 45 o 56.42939 3.628299 159.0679       19.93458 160.1462       21.34339 151.7000       55.79369 56.53936 3.880139 50.82502 11.48629 5.714340       12.12396 
1 1 1 0   16 46 o 40.61017 4.418467 83.76761       17.28072 82.35118       18.35749 94.79000       51.21000 40.14429 4.764606 39.51054 12.10271 0.6337471      13.00681 
1 1 1 0   16 47 o 34.26898 5.065473 60.72546       16.47999 51.96138       17.52663 127.6000       48.41454 31.34905 5.928863 46.53918 10.83181 -15.19013      12.34826 
1 1 1 0   16 48 o 58.81335 3.509924 173.0117       20.11407 158.0658       21.62186 269.1000       54.82358 56.03829 3.967519 70.42170 8.100824 -14.38341      9.020230 
1 1 1 0   16 49 o 62.40478 3.837955 195.7802       23.33017 195.7802       23.33017 0.000000       0.000000 62.40478 3.837955 ?        ?        ?              ?        
1 1 1 0   16 50 o 20.22698 7.382716 19.18022       19.00376 17.67000       20.97254 26.11000       44.92526 20.21838 7.680849 26.16375 10.80528 -5.945366      13.25705 
1 1 1 0   16 51 f 21.92835 7.146034 25.53444       17.60488 28.08694       19.26997 12.65000       43.29431 22.88927 7.477469 23.76907 10.24508 -0.8797951     12.68362 
1 1 1 0   16 52 o 19.73797 7.074661 18.97038       17.35067 5.888087       18.82294 92.92000       44.75212 16.65086 6.945335 38.36751 11.21368 -21.71665      13.19031 
1 1 1 0   16 53 o 21.49135 7.179583 24.29928       17.73366 20.89583       19.57946 39.84000       41.83850 20.69614 7.502599 27.65220 10.75873 -6.956060      13.11637 
1 1 1 0   16 54 o 34.95486 8.998844 71.77966       30.97182 60.20000       43.58636 83.59000       44.01837 31.42500 11.21883 36.26725 11.24067 -4.842243      15.88128 
1 1 1 0   16 55 o 42.10153 6.269417 95.13629       25.04948 97.41355       30.08550 89.99000       45.22707 41.76593 7.640646 37.43885 11.35513 4.327080       13.68643 
1 1 1 0   16 56 o 37.92508 7.019958 79.34671       25.10004 98.59071       29.83904 32.78000       46.41678 42.03938 7.527861 26.71935 11.00377 15.32003       13.33236 
1 1 1 0   16 57 o 28.27435 8.088843 46.01436       23.51683 45.76915       27.68369 46.65000       44.57190 28.00818 8.946652 28.70526 11.12231 -0.6970749     14.27404 
1 1 1 0   16 58 o 31.06434 10.79607 60.69000       40.16275 60.69000       40.16275 0.000000       0.000000 31.06434 10.79607 ?        ?        ?              ?        
1 1 1 0   16 59 o 27.64917 9.376934 45.90112       30.24546 60.38000       40.24951 27.12000       45.84096 30.68841 10.79766 25.29279 10.71095 5.395618       15.20901 
1 1 1 0   17 1  o 352.5063 7.799226 6096.817       269.1068 6532.308       345.1860 5422.000       429.6917 364.5038 9.683443 331.3772 13.27418 33.12653       16.43086 
1 1 1 0   17 2  o 297.2991 8.203663 4341.225       238.5022 4561.000       348.6870 4148.000       326.9475 304.1782 11.73321 290.0938 11.53720 14.08435       16.45525 
1 1 1 0   17 3  o 358.8026 9.708899 6330.535       340.6688 0.000000       0.000000 6330.535       340.6688 ?        ?        358.8026 9.708899 ?              ?        
1 1 1 0   17 4  f 231.7634 4.689307 2631.371       106.3799 2737.770       154.5926 2535.674       146.6123 236.1910 6.693563 227.3083 6.596425 8.882706       9.397692 
1 1 1 0   17 5  o 501.0593 9.395137 12336.03       460.7851 12668.41       664.3793 12027.96       639.6227 506.5534 13.41118 493.6256 13.24991 12.92780       18.85258 
1 1 1 0   17 6  o 266.9659 5.265070 3492.602       137.5834 3497.468       194.7271 3487.751       194.4179 266.8746 7.461730 266.5035 7.460271 0.3710938      10.55145 
1 1 1 0   17 7  o 200.3798 4.187408 1966.772       82.13069 1941.414       115.5138 1992.698       116.7975 198.9100 5.939609 201.5234 5.927537 -2.613434      8.391344 
1 1 1 0   17 8  o 411.0047 7.777858 8292.975       312.9053 7999.764       431.9244 8616.816       453.9248 402.9153 10.96204 418.1408 11.10042 -15.22549      15.60083 
1 1 1 0   17 9  o 86.04345 3.611375 363.2293       30.34799 428.4000       60.05878 340.8834       35.16810 93.21510 6.625583 83.30318 4.327857 9.911926       7.913829 
1 1 1 0   17 10 o 303.7220 5.889412 4523.714       175.0872 4931.000       372.9801 4408.596       198.2933 315.8655 12.08590 299.7379 6.758653 16.12769       13.84733 
1 1 1 0   17 11 o 165.0681 3.647719 1334.618       58.93737 1477.000       128.4746 1296.668       66.32858 173.2500 7.594413 162.6307 4.170138 10.61938       8.664015 
1 1 1 0   17 12 o 192.5144 4.044229 1815.797       76.20882 2052.000       167.2643 1753.918       85.61108 204.1232 8.389403 189.1747 4.623391 14.94849       9.579031 
1 1 1 0   17 13 o 430.7744 8.153958 9123.778       343.8148 9955.000       730.9731 8887.646       389.6012 446.3813 16.75950 424.8512 9.368654 21.53006       19.20033 
1 1 1 0   17 14 o 218.7774 6.449551 2351.612       137.9634 2492.000       202.0573 2229.000       188.8327 224.7746 9.203239 212.5818 9.095992 12.19279       12.93973 
1 1 1 0   17 15 o 70.16930 5.396533 242.9281       36.78085 216.6000       51.38055 270.6000       52.67556 65.86643 8.142668 73.83999 7.387119 -7.973557      10.99421 
1 1 1 0   17 16 o 154.2133 5.230139 1167.845       78.83381 1152.000       110.9534 1184.000       112.0301 152.8988 7.435918 155.0171 7.404678 -2.118301      10.49391 
1 1 1 0   17 17 o 307.7537 8.549636 4668.431       257.2978 4447.000       352.4807 4921.000       376.4488 299.3112 12.05579 314.8154 12.23973 -15.50418      17.18002 
1 1 1 0   17 18 o 325.4480 8.993624 5226.192       286.2239 5192.000       402.9866 5261.000       406.6012 323.0511 12.76937 325.1815 12.79928 -2.130371      18.07978 
1 1 1 0   17 19 o 168.3835 7.892683 1399.000       129.7240 1399.000       129.7240 0.000000       0.000000 168.3835 7.892683 ?        ?        ?              ?        
1 1 1 0   17 20 f 235.5549 6.899365 2730.966       158.9056 2739.000       225.2098 2723.000       224.2462 235.2286 9.802660 234.5430 9.789318 0.6856079      13.85362 
1 1 1 0   17 21 o 344.1166 9.488935 5855.131       319.3115 6137.000       466.1734 5606.000       438.2667 350.4318 13.61649 335.0200 13.39176 15.41183       19.09837 
1 1 1 0   17 22 o 269.6876 10.94993 3613.000       288.4526 0.000000       0.000000 3613.000       288.4526 ?        ?        269.6876 10.94993 ?              ?        
1 1 1 0   17 23 o 73.05906 5.836593 263.9504       41.39194 257.5000       58.09684 270.6000       58.98742 71.74920 8.433187 73.59302 8.335320 -1.843819      11.85733 
1 1 1 0   17 24 o 188.5460 5.957064 1749.641       109.8021 1727.000       154.0848 1773.000       156.5108 186.7927 8.449276 189.2638 8.469779 -2.471069      11.96359 
1 1 1 0   17 25 o 279.5598 7.949673 3861.632       217.3147 3778.000       303.1835 3950.000       311.6500 275.1932 11.27932 281.3694 11.33899 -6.176147      15.99362 
1 1 1 0   17 26 o 227.6362 6.771073 2556.448       150.7031 2564.000       213.8717 2549.000       212.3887 227.0449 9.645528 226.3934 9.606153 0.6514893      13.61302 
1 1 1 0   17 27 o 91.79680 5.356659 415.8510       47.92220 415.9000       67.07567 415.8000       68.49093 91.42909 7.562633 91.38498 7.729300 0.4411316E-01  10.81367 
1 1 1 0   17 28 o 39.04691 9.619895 78.93667       36.52415 118.8000       52.36493 41.17000       50.96923 47.73858 11.36979 32.33325 12.03962 15.40533       16.55973 
1 1 1 0   17 29 o 163.3934 5.607034 1317.491       89.54263 1320.000       126.8544 1315.000       126.4116 162.8622 7.981858 162.5571 7.968932 0.3050842      11.27892 
1 1 1 0   17 30 o 192.8610 6.123868 1840.023       115.4584 1786.000       160.4749 1898.000       166.2436 188.9829 8.698503 194.8098 8.740481 -5.826874      12.33126 
1 1 1 0   17 31 o 150.4655 5.430637 1119.417       79.85114 1131.000       113.3353 1108.000       112.5222 150.4667 7.720993 148.9152 7.746197 1.551483       10.93697 
1 1 1 0   17 32 f 157.4484 5.550616 1227.961       85.40940 1145.000       116.8868 1323.000       125.1059 151.0874 7.931491 162.4547 7.891155 -11.36729      11.18834 
1 1 1 0   17 33 o 100.8813 5.273157 505.0306       51.88924 520.3000       73.67329 490.0000       73.09506 101.7117 7.451737 98.62581 7.630979 3.085846       10.66584 
1 1 1 0   17 34 o 166.1507 5.669985 1372.478       92.07747 1326.000       128.2011 1422.000       132.3316 161.9954 8.110853 167.7888 8.081146 -5.793442      11.44949 
1 1 1 0   17 35 o 95.08459 7.624286 458.7000       70.36610 458.7000       70.36610 0.000000       0.000000 95.08459 7.624286 ?        ?        ?              ?        
1 1 1 0   17 36 o 97.72407 5.267595 476.1904       50.20096 484.4000       71.94340 468.4000       70.08292 97.60959 7.589554 96.00909 7.517406 1.600502       10.68236 
1 1 1 0   17 37 o 122.4756 7.430833 762.4000       88.66354 0.000000       0.000000 762.4000       88.66354 ?        ?        122.4756 7.430833 ?              ?        
1 1 1 0   17 38 o 130.3462 7.608320 867.3000       96.64987 0.000000       0.000000 867.3000       96.64987 ?        ?        130.3462 7.608320 ?              ?        
1 1 1 0   17 39 o 31.22889 10.27574 50.43799       36.36332 59.18000       53.17731 42.76000       49.83615 34.46323 12.38144 31.24219 11.84676 3.221043       17.13609 
1 1 1 0   17 40 o 73.41199 6.080176 273.2844       43.29923 296.3000       62.16702 251.6000       60.34245 75.20184 8.599969 68.92622 9.171413 6.275627       12.57276 
1 1 1 0   17 41 o 174.4673 5.967197 1537.941       101.7539 1567.000       145.3343 1510.000       142.5108 173.2241 8.598310 170.0489 8.589667 3.175201       12.15374 
1 1 1 0   17 42 o 95.20524 5.718385 459.5891       53.04374 460.6000       75.42640 458.6000       74.61060 93.52937 8.325833 93.38612 8.246952 0.1432495      11.71886 
1 1 1 0   17 43 o 44.60213 9.503139 110.4274       40.21810 134.7000       57.62797 87.38000       56.15461 47.69249 12.27336 38.61408 12.77233 9.078411       17.71349 
1 1 1 0   17 44 o 55.28910 7.818235 163.5028       41.13194 212.4000       59.55305 118.9000       56.87782 61.39804 10.27187 44.21289 12.55714 17.18515       16.22323 
1 1 1 0   17 45 o 51.18612 3.593010 131.0579       17.88749 131.0579       17.88749 0.000000       0.000000 51.18612 3.593010 ?        ?        ?              ?        
1 1 1 0   17 46 o 28.55848 5.082777 42.48052       13.68745 41.66018       14.24163 52.41000       49.54817 28.18881 5.357299 31.37893 11.83180 -3.190123      12.98815 
1 1 1 0   17 47 o 36.37637 4.559992 67.68960       15.88061 67.68960       15.88061 0.000000       0.000000 36.37637 4.559992 ?        ?        ?              ?        
1 1 1 0   17 48 o 29.77373 5.454225 46.66064       15.30984 46.66064       15.30984 0.000000       0.000000 29.77373 5.454225 ?        ?        ?              ?        
1 1 1 0   17 49 o 26.94883 5.936023 38.92780       15.23442 35.03309       16.16890 69.73000       45.47093 25.40373 6.482069 33.93703 11.49746 -8.533298      13.19882 
1 1 1 0   17 50 o 43.32193 3.995955 95.18979       16.75389 93.81781       17.92168 104.7000       47.18460 42.87712 4.329427 40.94368 11.36986 1.933441       12.16625 
1 1 1 0   17 51 o 14.45238 5.994989 4.166814       13.91314 0.8517541      14.72236 31.86000       42.55182 13.96864 5.996968 26.43369 10.66626 -12.46504      12.23653 
1 1 1 0   17 52 o 52.16172 3.676772 137.2741       18.65234 143.9386       20.31116 101.4000       47.12380 53.31112 3.919744 39.84778 11.46626 13.46333       12.11774 
1 1 1 0   17 53 o 40.16676 4.509966 83.05594       17.42559 78.68779       18.93641 107.2000       44.51991 38.81968 5.107332 41.40462 10.85450 -2.584949      11.99604 
1 1 1 0   17 54 o 24.66605 6.606787 33.54832       16.27042 32.99625       17.60539 36.78000       42.59541 24.39899 7.004644 27.01931 10.74993 -2.620319      12.83067 
1 1 1 0   17 55 o 63.18155 3.544796 200.9787       21.83447 210.9817       24.24259 158.0000       50.25049 64.57761 3.852740 50.91531 10.43386 13.66230       11.12245 
1 1 1 0   17 56 o 18.62997 6.895487 16.10035       16.67247 15.56806       18.02220 19.26000       43.90894 18.76857 7.122442 24.38331 10.40977 -5.614744      12.61319 
1 1 1 0   17 57 o 33.71224 6.140585 61.66014       19.51669 61.66014       19.51669 0.000000       0.000000 33.71224 6.140585 ?        ?        ?              ?        
1 1 1 0   17 58 o 33.83182 6.288951 62.66419       20.05981 67.30536       22.26348 42.64000       46.24416 34.80866 6.778167 27.75084 11.14682 7.057814       13.04589 
1 1 1 0   17 59 o 41.44893 4.538032 89.30860       18.11083 100.9067       23.66347 72.90822       28.13923 43.38297 5.711109 35.09674 8.318780 8.286236       10.09053 
1 1 1 0   18 0  o 718.0682 27.11965 25740.00       1902.720 25740.00       1902.720 0.000000       0.000000 718.0682 27.11965 ?        ?        ?              ?        
1 1 1 0   18 1  o 102.5285 6.355093 517.5000       63.46478 0.000000       0.000000 517.5000       63.46478 ?        ?        102.5285 6.355093 ?              ?        
1 1 1 0   18 2  o 263.7524 7.405336 3416.884       190.9929 3565.000       277.7375 3284.000       263.0686 268.9175 10.57198 258.1096 10.43410 10.80798       14.85386 
1 1 1 0   18 3  o 295.2912 5.751774 4274.920       166.2488 4485.709       243.1920 4089.992       227.7859 302.0995 8.231862 288.4801 8.074810 13.61945       11.53109 
1 1 1 0   18 4  o 107.7849 3.165454 569.3752       33.36025 565.8153       47.95116 572.7145       46.44206 107.3653 4.573247 108.0307 4.401173 -0.6653366     6.347040 
1 1 1 0   18 5  o 300.7088 5.844034 4433.902       172.0145 4515.859       246.5061 4356.118       240.1489 303.0704 8.317423 297.6687 8.250120 5.401672       11.71512 
1 1 1 0   18 6  o 335.5202 6.445589 5522.615       211.6837 5782.469       308.9496 5292.676       290.6223 342.7769 9.216461 327.9583 9.061926 14.81857       12.92523 
1 1 1 0   18 7  o 428.5568 8.101227 9023.764       339.8329 9690.808       505.1027 8472.108       459.3425 443.0420 11.65752 414.3269 11.33693 28.71506       16.26111 
1 1 1 0   18 8  o 249.7747 5.764850 3059.647       140.9428 3201.000       252.9601 2996.009       169.7296 254.7262 10.16589 246.9404 7.029125 7.785782       12.35936 
1 1 1 0   18 9  o 233.6600 4.721169 2675.944       107.9792 3014.000       235.0123 2585.481       121.5712 247.2097 9.731239 229.6244 5.408870 17.58537       11.13341 
1 1 1 0   18 10 o 334.0979 7.432517 5483.570       243.0613 6110.000       454.5366 5232.705       287.6420 350.9858 13.25422 325.9526 9.024223 25.03320       16.03468 
1 1 1 0   18 11 o 111.5867 3.457380 610.5010       37.71737 0.000000       0.000000 610.5010       37.71737 ?        ?        111.5867 3.457380 ?              ?        
1 1 1 0   18 12 o 229.7675 4.641909 2587.903       104.3978 2972.000       230.9000 2489.208       117.0445 245.3967 9.631483 225.2882 5.307698 20.10849       10.99714 
1 1 1 0   18 13 o 507.6115 9.559633 12700.04       474.9839 14050.00       1020.834 12327.03       536.6090 527.4976 19.80617 499.5432 10.97435 27.95441       22.64333 
1 1 1 0   18 14 o 188.1875 5.820335 1739.713       107.0835 1717.000       150.5025 1763.000       152.3931 186.6014 8.260386 189.0904 8.253477 -2.489014      11.67707 
1 1 1 0   18 15 o 69.29705 5.471754 237.0897       36.81385 269.1000       53.95143 209.2000       50.35929 73.58093 7.600101 64.69440 8.131770 8.886528       11.13046 
1 1 1 0   18 16 o 336.0474 9.250209 5574.108       303.9800 5513.000       426.8345 5637.000       433.0174 332.7721 13.12985 336.4805 13.17283 -3.708435      18.59883 
1 1 1 0   18 17 o 185.3623 8.299949 1696.000       150.2105 1696.000       150.2105 0.000000       0.000000 185.3623 8.299949 ?        ?        ?              ?        
1 1 1 0   18 18 o 145.9530 7.434797 1051.000       105.8657 1051.000       105.8657 0.000000       0.000000 145.9530 7.434797 ?        ?        ?              ?        
1 1 1 0   18 19 o 209.1006 6.329330 2150.766       129.3955 2061.000       179.0059 2249.000       187.2586 204.1604 8.979525 213.2830 8.989889 -9.122589      12.70630 
1 1 1 0   18 20 o 113.6737 5.074242 635.4324       56.31723 744.2000       85.71113 552.8000       74.70718 122.7642 7.163918 105.7303 7.262778 17.03387       10.20145 
1 1 1 0   18 21 o 196.8293 8.636211 1916.000       165.9819 0.000000       0.000000 1916.000       165.9819 ?        ?        196.8293 8.636211 ?              ?        
1 1 1 0   18 22 o 110.0863 5.128548 596.3341       55.11103 580.0000       77.90092 612.7000       77.97666 108.2475 7.396662 111.3034 7.195875 -3.055885      10.31946 
1 1 1 0   18 23 o 202.7210 6.258101 2023.711       124.0301 1911.000       169.6889 2153.000       181.7408 196.3835 8.850330 208.4483 8.928014 -12.06476      12.57131 
1 1 1 0   18 24 o 228.9200 6.787367 2583.919       151.9188 2571.000       214.1815 2597.000       215.5159 227.4907 9.640460 228.6361 9.651754 -1.145370      13.64166 
1 1 1 0   18 25 o 268.2456 7.702756 3557.839       202.0389 3759.000       295.8338 3382.000       276.5883 274.2706 11.04208 260.2086 10.88343 14.06198       15.50409 
1 1 1 0   18 26 o 93.21833 5.425638 428.9241       49.29208 398.8000       68.64092 461.0000       70.82966 89.43487 7.922854 96.27677 7.577034 -6.841904      10.96280 
1 1 1 0   18 27 o 133.1212 5.301476 873.5376       68.94151 959.1000       101.1845 799.4000       94.18716 139.0228 7.463055 126.8480 7.620951 12.17474       10.66659 
1 1 1 0   18 28 o 59.32103 7.178328 176.7145       40.83421 112.9000       55.78077 250.4000       59.93988 46.39866 12.14329 70.35930 8.902336 -23.96064      15.05692 
1 1 1 0   18 29 o 192.8600 6.137031 1840.250       115.7054 1717.000       156.9444 1987.000       171.2548 185.2825 8.677876 199.2862 8.800992 -14.00375      12.35973 
1 1 1 0   18 30 o 264.7519 7.707076 3495.745       199.5135 3432.000       278.4484 3563.000       286.0132 259.8507 10.97218 264.6892 11.06375 -4.838470      15.58189 
1 1 1 0   18 31 o 67.94115 6.419535 231.1515       42.18541 191.2000       58.16167 275.5000       61.27867 60.67584 10.15129 73.58737 8.673910 -12.91153      13.35236 
1 1 1 0   18 32 o 145.2657 5.429697 1046.491       77.06901 1055.000       109.0478 1038.000       108.9363 144.8946 7.716631 143.6914 7.774206 1.203171       10.95375 
1 1 1 0   18 33 o 195.1958 6.197509 1899.012       118.2614 1961.000       170.0886 1841.000       164.5430 196.5208 8.865026 190.4116 8.852582 6.109222       12.52824 
1 1 1 0   18 34 o 89.71399 7.842073 409.3000       68.17319 409.3000       68.17319 0.000000       0.000000 89.71399 7.842073 ?        ?        ?              ?        
1 1 1 0   18 35 o 86.57278 5.514868 374.6352       46.48993 394.3000       67.91959 357.3000       63.76984 87.84281 7.986408 83.63461 7.882714 4.208206       11.22140 
1 1 1 0   18 36 o 109.7904 7.345042 612.3000       78.48005 0.000000       0.000000 612.3000       78.48005 ?        ?        109.7904 7.345042 ?              ?        
1 1 1 0   18 37 o 89.40266 7.681947 409.5000       66.57343 0.000000       0.000000 409.5000       66.57343 ?        ?        89.40266 7.681947 ?              ?        
1 1 1 0   18 38 o 125.2229 5.399203 785.1113       66.02341 784.5000       94.25864 785.7000       92.50836 123.6589 7.827515 123.8686 7.667394 -0.2096405     10.95714 
1 1 1 0   18 39 f 85.84315 5.813046 371.9082       48.55641 288.9000       67.11084 463.1000       70.34127 73.74073 9.519665 94.82694 7.643004 -21.08621      12.20817 
1 1 1 0   18 40 o 124.5989 5.424560 780.3206       65.99986 714.0000       90.57475 855.4000       96.37041 117.4401 7.925659 128.7955 7.679150 -11.35536      11.03564 
1 1 1 0   18 41 o 80.49087 6.088842 330.1889       47.61618 314.4000       67.10532 346.2000       67.57604 76.69820 9.116691 80.83137 8.676612 -4.133171      12.58561 
1 1 1 0   18 42 o 88.69592 5.921263 401.4449       51.11280 369.4000       71.51868 434.9000       73.07528 82.94144 8.950899 90.56676 8.336672 -7.625320      12.23187 
1 1 1 0   18 43 o 59.52268 7.329941 187.1781       41.80508 177.6000       58.46314 197.2000       59.80221 55.42789 11.16224 58.76546 10.79420 -3.337563      15.52773 
1 1 1 0   18 44 o 99.18805 5.482708 501.9781       53.02343 537.7000       75.88528 467.9000       74.11884 100.6521 7.762374 93.45861 8.184729 7.193459       11.28026 
1 1 1 0   18 45 o 37.45963 9.795610 80.68364       36.31725 86.34000       52.25826 75.40000       50.50719 37.69616 12.31374 35.61930 12.11685 2.076859       17.27560 
1 1 1 0   18 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   18 47 o 48.36645 8.360545 129.3845       38.14949 133.7000       57.54224 126.0000       50.95874 46.06739 12.46208 45.50178 11.45188 0.5656166      16.92480 
1 1 1 0   18 48 o 19.90998 9.232718 -22.32000      42.92062 0.000000       0.000000 -22.32000      42.92062 ?        ?        19.90998 9.232718 ?              ?        
1 1 1 0   18 49 o 55.92039 7.092128 168.3218       37.94789 98.36000       52.76114 243.3000       54.61997 39.09410 12.33488 65.98234 8.666324 -26.88824      15.07496 
1 1 1 0   18 50 o 33.68270 9.433435 67.12812       32.33239 88.16000       45.67281 46.00000       45.77718 37.30273 11.43029 29.09134 11.27174 8.211399       16.05316 
1 1 1 0   18 51 f 36.03608 8.752930 75.46768       30.56377 105.0000       42.84580 44.87000       43.61177 41.28512 10.56108 28.61179 11.02438 12.67333       15.26674 
1 1 1 0   18 52 o 34.90147 8.913198 71.21173       30.55349 47.09000       41.89383 98.62000       44.65670 28.91860 10.88491 39.57181 11.08783 -10.65321      15.53774 
1 1 1 0   18 53 o 26.49100 9.277360 39.29638       29.68983 63.46000       41.49903 13.96000       42.49416 32.04174 10.98133 23.58341 10.15737 8.458328       14.95867 
1 1 1 0   18 54 o 20.63233 8.596262 12.62191       28.78702 40.60000       39.73634 -18.28000      41.76106 27.40022 10.53209 19.66622 9.115336 7.733997       13.92890 
1 1 1 0   18 55 o 38.21836 8.607028 85.02965       31.42146 79.64000       43.30831 91.02000       45.65805 35.18906 11.18447 37.38731 11.42315 -2.198250      15.98689 
1 1 1 0   18 56 o 38.28940 11.07988 94.38000       43.88633 94.38000       43.88633 0.000000       0.000000 38.28940 11.07988 ?        ?        ?              ?        
1 1 1 0   18 57 o 26.54172 10.89148 34.69000       45.26318 0.000000       0.000000 34.69000       45.26318 ?        ?        26.54172 10.89148 ?              ?        
1 1 1 0   18 58 o 21.92657 9.866107 2.036000       44.41270 0.000000       0.000000 2.036000       44.41270 ?        ?        21.92657 9.866107 ?              ?        
1 1 1 0   19 1  o 190.4252 5.762101 1780.014       107.2782 1770.000       151.8225 1790.000       151.6063 189.5982 8.200189 190.6765 8.141693 -1.078278      11.55553 
1 1 1 0   19 2  o 223.0558 4.565966 2438.240       99.69019 2499.996       143.5604 2380.727       138.5400 225.6166 6.507458 220.1730 6.435337 5.443558       9.152080 
1 1 1 0   19 3  o 222.3420 5.272059 2423.790       114.7382 2545.863       144.8245 2218.000       188.0374 227.6741 6.505307 212.1315 9.076909 15.54263       11.16733 
1 1 1 0   19 4  o 270.4191 5.335075 3585.583       141.2161 3733.448       205.4053 3453.054       194.4631 275.5677 7.622446 265.0285 7.503706 10.53928       10.69613 
1 1 1 0   19 5  o 61.52269 3.557184 186.0203       21.33006 166.8068       30.67604 204.0053       29.67918 58.06796 5.461164 64.34026 4.746030 -6.272308      7.235269 
1 1 1 0   19 6  o 160.5231 3.639045 1262.255       57.17830 1296.576       82.37555 1230.346       79.42956 162.5324 5.184515 158.3272 5.132093 4.205185       7.295038 
1 1 1 0   19 7  o 249.9506 4.987358 3063.015       122.0200 3072.879       173.1138 3053.276       172.0160 250.0304 7.080604 249.2344 7.058172 0.7960205      9.997637 
1 1 1 0   19 8  o 376.4220 7.181442 6960.644       264.6019 6623.455       362.2092 7346.513       387.4742 366.3852 10.10952 385.8306 10.26895 -19.44543      14.41020 
1 1 1 0   19 9  o 249.5076 4.982642 3052.463       121.6885 3164.000       251.0296 3018.202       139.1285 253.0873 10.15385 248.0291 5.730694 5.058197       11.65940 
1 1 1 0   19 10 o 194.4687 4.761948 1854.116       90.64432 2063.000       169.5897 1770.575       107.2493 204.5684 8.487882 189.8716 5.777420 14.69676       10.26756 
1 1 1 0   19 11 o 132.1416 3.274237 855.3256       42.35025 913.2000       92.51702 839.9838       47.63392 136.1558 6.965056 130.8819 3.721959 5.273895       7.897151 
1 1 1 0   19 12 o 252.1204 5.020514 3117.615       123.8975 3609.000       275.2619 2992.769       138.7470 270.1106 10.43074 246.9396 5.740195 23.17107       11.90589 
1 1 1 0   19 13 o 209.4314 4.316377 2150.200       88.48453 2552.000       200.7034 2053.261       98.58232 227.3508 9.036871 204.6051 4.922393 22.74571       10.29053 
1 1 1 0   19 14 o 237.5196 4.767688 2766.860       110.8443 3188.000       246.5848 2660.211       124.0881 253.8766 9.942091 232.8227 5.445009 21.05394       11.33549 
1 1 1 0   19 15 o 380.9984 10.38356 7183.343       386.8748 7057.000       540.5743 7316.000       553.9167 375.5449 14.73435 382.3299 14.82942 -6.785034      20.90485 
1 1 1 0   19 16 o 193.6936 8.517418 1853.000       161.0892 1853.000       161.0892 0.000000       0.000000 193.6936 8.517418 ?        ?        ?              ?        
1 1 1 0   19 17 o 206.9793 8.937729 2118.000       180.6490 2118.000       180.6490 0.000000       0.000000 206.9793 8.937729 ?        ?        ?              ?        
1 1 1 0   19 18 o 191.9492 5.992102 1811.986       112.4448 1839.000       160.5848 1786.000       157.5020 192.9010 8.525855 190.1043 8.485625 2.796661       12.02897 
1 1 1 0   19 19 o 168.4185 7.884988 1401.000       129.6253 0.000000       0.000000 1401.000       129.6253 ?        ?        168.4185 7.884988 ?              ?        
1 1 1 0   19 20 o 144.8976 7.414312 1037.000       104.8074 0.000000       0.000000 1037.000       104.8074 ?        ?        144.8976 7.414312 ?              ?        
1 1 1 0   19 21 o 216.2769 6.511074 2303.940       137.6810 2354.000       196.8513 2256.000       192.6377 217.9142 9.249871 213.3225 9.247649 4.591614       13.07972 
1 1 1 0   19 22 f 45.53201 8.523140 105.7154       36.59013 106.6000       51.30862 104.8000       52.19531 45.39412 11.52775 45.02473 11.72831 0.3693962      16.44513 
1 1 1 0   19 23 o 262.7600 7.567931 3410.977       194.4420 3506.000       279.6154 3322.000       270.5724 265.1219 10.79739 258.0886 10.73390 7.033356       15.22499 
1 1 1 0   19 24 o 107.3378 5.213198 567.7220       54.60877 555.1000       76.26865 581.0000       78.22545 105.7677 7.413893 108.2153 7.430139 -2.447609      10.49632 
1 1 1 0   19 25 o 257.7274 7.469969 3286.777       188.2466 3473.000       275.1916 3123.000       258.0738 263.4363 10.69442 249.8489 10.57654 13.58737       15.04107 
1 1 1 0   19 26 o 188.3652 6.006947 1751.211       110.6127 1776.000       157.3602 1727.000       155.5161 188.8932 8.532870 186.2567 8.552996 2.636490       12.08154 
1 1 1 0   19 27 o 184.4408 5.969309 1680.721       107.6254 1589.000       147.2233 1786.000       157.7299 178.4882 8.450764 189.2149 8.538332 -10.72664      12.01326 
1 1 1 0   19 28 o 236.0572 7.035880 2765.963       162.3891 2761.000       228.8006 2771.000       230.5146 234.1765 10.00483 234.5626 10.06340 -0.3860626     14.19044 
1 1 1 0   19 29 f 138.5796 5.322565 949.5428       72.06402 854.2000       96.63391 1069.000       108.1662 130.7370 7.583911 146.3021 7.579105 -15.56511      10.72187 
1 1 1 0   19 30 o 83.60023 5.620231 347.4267       45.72324 372.3000       64.75825 322.7000       64.56703 85.96257 7.780414 79.79437 8.392183 6.168198       11.44393 
1 1 1 0   19 31 o 171.6447 5.777039 1463.117       96.92207 1503.000       138.6467 1425.000       135.5430 172.6963 8.225655 168.1247 8.261742 4.571625       11.65838 
1 1 1 0   19 32 o 103.2023 5.277573 529.1899       53.13557 523.4000       74.15369 535.3000       76.17726 101.8678 7.489211 102.9752 7.611445 -1.107422      10.67813 
1 1 1 0   19 33 o 129.3846 7.534868 846.1000       95.01255 846.1000       95.01255 0.000000       0.000000 129.3846 7.534868 ?        ?        ?              ?        
1 1 1 0   19 34 o 93.40404 5.341434 435.3271       48.63123 445.8000       70.65660 425.9000       67.03604 93.53289 7.788206 91.51707 7.550534 2.015823       10.84743 
1 1 1 0   19 35 o 157.4023 7.937035 1263.000       121.8910 0.000000       0.000000 1263.000       121.8910 ?        ?        157.4023 7.937035 ?              ?        
1 1 1 0   19 36 o 103.8624 5.350094 539.5862       54.20754 500.8000       77.51981 576.7000       75.83019 98.68839 8.096027 106.3981 7.325903 -7.709694      10.91854 
1 1 1 0   19 37 o 42.44353 9.259283 96.82095       37.38290 19.04000       52.88475 174.5000       52.85009 28.15821 11.68484 57.09797 9.809627 -28.93975      15.25661 
1 1 1 0   19 38 o 113.1523 5.359584 642.1504       59.19221 653.5000       84.47004 631.2000       82.97093 112.7191 7.702231 110.7730 7.700127 1.946098       10.89111 
1 1 1 0   19 39 o 79.30637 5.979169 318.7773       46.07281 280.4000       64.02258 360.0000       66.35350 72.67219 9.206640 83.04789 8.272521 -10.37570      12.37727 
1 1 1 0   19 40 o 47.95900 8.819362 123.9446       39.87609 157.7000       57.74760 93.18000       55.13002 52.71786 11.51417 40.23069 12.59703 12.48717       17.06638 
1 1 1 0   19 41 o 67.64021 6.754462 236.8984       44.12265 213.8000       61.56010 261.3000       63.27283 61.91682 10.53436 69.25167 9.591471 -7.334854      14.24672 
1 1 1 0   19 42 o 56.49001 7.730988 169.8621       41.62737 196.8000       59.19061 143.5000       58.55452 58.89544 10.65984 49.00909 12.24265 9.886345       16.23314 
1 1 1 0   19 43 o 36.22811 10.01592 75.13107       36.70571 88.86000       51.41436 60.86000       52.41966 38.50007 12.18017 33.28317 12.24300 5.216904       17.26985 
1 1 1 0   19 44 o 37.73453 9.657224 81.56312       35.81448 67.46000       49.52792 97.02000       51.85054 34.11227 11.97971 39.83838 12.17339 -5.726101      17.07937 
1 1 1 0   19 45 o 24.99692 10.80702 10.97000       48.46124 10.97000       48.46124 0.000000       0.000000 24.99692 10.80702 ?        ?        ?              ?        
1 1 1 0   19 46 o 35.73993 9.797843 74.24657       35.29262 45.81000       51.53598 99.36000       48.43118 30.22075 11.88689 40.26109 11.63618 -10.04033      16.63426 
1 1 1 0   19 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   19 48 o 47.66855 7.907149 125.2168       35.60202 118.2000       50.59262 132.1000       50.10860 43.52851 11.64629 46.53175 11.14798 -3.003231      16.12183 
1 1 1 0   19 49 o 37.85949 9.165566 83.62254       33.59827 46.88000       46.94672 122.2000       48.10469 29.39884 11.40823 44.41888 11.09691 -15.02004      15.91506 
1 1 1 0   19 50 o 43.62103 7.914279 106.5311       32.54786 125.4000       45.87760 87.41000       46.18317 45.30713 10.54360 36.96637 11.52284 8.340759       15.61869 
1 1 1 0   19 51 o 43.33118 7.815819 104.9377       31.93045 97.83000       43.67353 113.1000       46.80151 39.52103 10.92491 42.39516 11.13640 -2.874126      15.60042 
1 1 1 0   19 52 o 44.41523 7.791029 110.4799       32.63685 99.45000       44.59589 123.2000       47.89103 39.57067 11.07767 44.19032 11.09065 -4.619644      15.67538 
1 1 1 0   19 53 o 42.42090 7.978943 101.7233       31.91506 81.60000       43.36627 125.5000       47.13877 35.71833 11.17078 44.76873 10.86789 -9.050392      15.58517 
1 1 1 0   19 54 o 48.60306 6.987868 129.1075       32.28965 128.0000       44.00084 130.4000       47.53229 45.94055 10.06392 45.68943 10.80007 0.2511177      14.76225 
1 1 1 0   19 55 o 26.48307 10.49747 36.06000       40.47431 36.06000       40.47431 0.000000       0.000000 26.48307 10.49747 ?        ?        ?              ?        
1 1 1 0   19 56 o 57.30367 9.968978 198.9000       53.88689 0.000000       0.000000 198.9000       53.88689 ?        ?        57.30367 9.968978 ?              ?        
1 1 1 0   19 57 o 28.17752 9.303110 47.81501       29.79644 16.57000       39.25263 90.30000       45.77161 22.94140 9.819470 36.56732 11.48221 -13.62592      15.10838 
1 1 1 0   19 58 o 29.97522 11.36172 58.27000       45.82773 0.000000       0.000000 58.27000       45.82773 ?        ?        29.97522 11.36172 ?              ?        
1 1 1 0   20 0  o 201.2518 8.492417 1991.000       166.9169 0.000000       0.000000 1991.000       166.9169 ?        ?        201.2518 8.492417 ?              ?        
1 1 1 0   20 1  f 292.7906 6.609837 4209.066       189.4324 4119.000       324.1731 4255.769       233.4355 288.4819 11.50334 294.0607 8.117820 -5.578827      14.07927 
1 1 1 0   20 2  o 144.5546 4.015269 1024.688       56.75864 1182.000       105.9682 961.4009       67.21299 154.9694 7.004018 139.9459 4.914295 15.02344       8.556084 
1 1 1 0   20 3  o 209.6802 5.034125 2155.820       103.3208 2210.223       128.8880 2058.000       172.8299 212.1143 6.214481 204.3095 8.661851 7.804764       10.66056 
1 1 1 0   20 4  o 24.19446 7.991966 27.38526       21.98863 24.65261       27.05732 32.70000       37.73407 24.49783 8.827944 28.55007 10.40579 -4.052242      13.64599 
1 1 1 0   20 5  o 258.3806 5.948709 3276.249       150.4489 3415.743       189.1487 3036.000       248.2306 263.5363 7.339727 247.8577 10.25382 15.67857       12.61001 
1 1 1 0   20 6  o 103.0414 3.160746 520.5314       31.84153 462.5336       44.25685 582.7708       45.84666 97.02014 4.674034 108.9577 4.307249 -11.93761      6.356019 
1 1 1 0   20 7  o 291.5164 5.691403 4169.952       162.4009 4204.403       231.1667 4136.378       228.2012 292.2214 8.089562 289.8542 8.051060 2.367188       11.41318 
1 1 1 0   20 8  o 202.4407 4.231106 2008.711       83.84128 1937.340       116.4295 2085.583       120.8319 198.5733 5.997001 206.0370 5.997808 -7.463776      8.481611 
1 1 1 0   20 9  o 330.7595 6.378497 5373.108       206.5080 5845.000       438.6522 5238.742       234.0694 342.8136 13.09651 326.4152 7.326019 16.39841       15.00630 
1 1 1 0   20 10 o 312.8721 7.017159 4811.895       214.8990 5152.000       391.2506 4664.961       257.1638 322.0045 12.43667 307.6160 8.549012 14.38846       15.09160 
1 1 1 0   20 11 o 72.41081 3.145786 257.3322       22.24341 352.9000       55.90611 239.3584       24.24505 84.46406 6.820041 69.80260 3.560263 14.66145       7.693402 
1 1 1 0   20 12 o 101.0273 3.045230 500.4176       30.07939 555.7000       69.96461 487.8827       33.31547 106.1113 6.771468 99.72930 3.417899 6.381950       7.585171 
1 1 1 0   20 13 o 25.46283 5.297308 33.00214       12.77237 92.07000       43.58475 27.45307       13.35885 42.31928 10.55719 23.19915 5.877091 19.12012       12.08282 
1 1 1 0   20 14 o 209.2883 4.952334 2149.069       101.4521 0.000000       0.000000 2149.069       101.4521 ?        ?        209.2883 4.952334 ?              ?        
1 1 1 0   20 15 o 229.4985 9.565137 2607.000       214.3997 2607.000       214.3997 0.000000       0.000000 229.4985 9.565137 ?        ?        ?              ?        
1 1 1 0   20 16 o 133.1633 7.118816 875.1000       92.45222 875.1000       92.45222 0.000000       0.000000 133.1633 7.118816 ?        ?        ?              ?        
1 1 1 0   20 17 o 141.5931 5.148371 985.4446       71.23518 1000.000       101.2899 971.2000       100.2024 142.3302 7.294807 140.2555 7.324187 2.074738       10.33721 
1 1 1 0   20 18 o 149.7728 7.521435 1108.000       109.9127 0.000000       0.000000 1108.000       109.9127 ?        ?        149.7728 7.521435 ?              ?        
1 1 1 0   20 19 o 179.6800 8.240331 1597.000       144.5416 0.000000       0.000000 1597.000       144.5416 ?        ?        179.6800 8.240331 ?              ?        
1 1 1 0   20 20 o 267.5692 7.658524 3534.639       200.3735 3585.000       285.8689 3486.000       280.9374 268.2756 10.90903 264.5552 10.87210 3.720367       15.40161 
1 1 1 0   20 21 o 286.4075 8.109615 4055.757       227.1190 4009.000       318.7123 4104.000       323.7361 283.2952 11.51754 286.6143 11.56324 -3.319061      16.32061 
1 1 1 0   20 22 o 162.0065 5.560861 1292.343       88.05143 1281.000       123.6845 1304.000       125.3799 160.8032 7.882055 162.2345 7.919408 -1.431229      11.17335 
1 1 1 0   20 23 o 249.7326 7.277089 3082.888       177.6952 3101.000       252.0853 3065.000       250.5200 249.2044 10.35698 247.7531 10.35322 1.451324       14.64432 
1 1 1 0   20 24 o 199.4896 6.231487 1964.105       121.5305 2109.000       178.9232 1840.000       165.5903 205.8391 8.901443 192.2682 8.822266 13.57083       12.53268 
1 1 1 0   20 25 o 153.4133 5.496111 1160.893       82.39907 1202.000       118.9748 1123.000       114.2298 155.4893 7.842467 150.2953 7.791351 5.193985       11.05484 
1 1 1 0   20 26 o 85.02704 5.546863 357.9930       45.91275 443.8000       67.11153 282.5000       62.94906 94.33009 7.325819 74.78783 8.765204 19.54227       11.42350 
1 1 1 0   20 27 o 217.2547 6.635923 2340.662       140.9507 2104.000       186.2349 2658.000       215.6543 204.6631 9.320876 229.9018 9.604333 -25.23866      13.38365 
1 1 1 0   20 28 o 157.3745 5.554848 1225.606       85.43409 1193.000       118.4181 1261.000       123.3786 154.4155 7.860532 158.7189 7.967024 -4.303329      11.19203 
1 1 1 0   20 29 o 124.6292 5.293105 769.3334       64.42385 776.7000       90.30923 761.7000       91.93058 124.5075 7.444201 123.2113 7.660493 1.296143       10.68173 
1 1 1 0   20 30 o 90.63301 5.492429 408.4973       48.49688 385.8000       67.24400 433.1000       70.00947 87.31098 7.955544 92.60507 7.795852 -5.294090      11.13849 
1 1 1 0   20 31 o 109.7433 5.321645 598.4847       56.99456 615.2000       80.39999 581.6000       80.80652 110.4643 7.479912 107.2781 7.747554 3.186211       10.76911 
1 1 1 0   20 32 o 64.71515 9.267694 217.9000       57.03242 217.9000       57.03242 0.000000       0.000000 64.71515 9.267694 ?        ?        ?              ?        
1 1 1 0   20 33 o 85.38962 5.494448 364.5094       45.67981 329.8000       64.15549 400.2000       65.05592 80.12901 8.299744 88.67747 7.567160 -8.548462      11.23155 
1 1 1 0   20 34 o 88.15107 7.631566 396.8000       65.20074 0.000000       0.000000 396.8000       65.20074 ?        ?        88.15107 7.631566 ?              ?        
1 1 1 0   20 35 o 76.65685 5.766994 295.6796       42.95469 323.6000       62.57574 270.8000       59.06993 79.15018 8.195394 72.18688 8.524137 6.963295       11.82478 
1 1 1 0   20 36 o 32.78790 10.01711 57.26030       35.11081 71.16000       51.29835 45.01000       48.15860 36.54120 12.21109 31.41117 11.70166 5.130030       16.91270 
1 1 1 0   20 37 o 64.38085 6.640428 211.8548       41.24683 199.1000       59.05933 224.0000       57.63056 60.65237 10.31705 64.94256 9.333844 -4.290192      13.91266 
1 1 1 0   20 38 o 106.9021 5.348453 574.2242       55.78777 543.2000       78.36709 606.1000       79.43541 102.4298 7.876748 108.4781 7.527808 -6.048248      10.89546 
1 1 1 0   20 39 o 88.79491 5.688411 399.1750       49.18074 412.1000       69.61969 386.3000       69.48464 88.74168 8.104254 85.70334 8.390324 3.038338       11.66518 
1 1 1 0   20 40 o 59.06531 7.424516 183.0104       41.97857 150.1000       58.16039 218.8000       60.65124 50.86109 11.89574 62.93403 10.19415 -12.07294      15.66618 
1 1 1 0   20 41 o 50.59552 8.439008 138.6103       40.32238 128.8000       57.05445 148.4000       56.99450 46.36843 12.35041 50.24323 11.79271 -3.874805      17.07632 
1 1 1 0   20 42 o 60.77173 7.093732 194.6707       41.40440 232.0000       59.18901 158.9000       57.94027 64.57203 9.661085 51.77799 11.70775 12.79404       15.17920 
1 1 1 0   20 43 o 49.70136 8.074730 134.2458       37.93575 121.2000       52.76888 148.2000       54.57523 44.73333 11.86039 49.95160 11.41244 -5.218273      16.45942 
1 1 1 0   20 44 o 29.69358 11.45595 44.22000       47.13667 44.22000       47.13667 0.000000       0.000000 29.69358 11.45595 ?        ?        ?              ?        
1 1 1 0   20 45 o 56.99674 7.148677 173.3548       39.00753 218.0000       55.93969 131.1000       54.42157 62.18381 9.490658 46.12259 11.95662 16.06122       15.26543 
1 1 1 0   20 46 o 68.28645 8.755491 259.2000       57.17747 0.000000       0.000000 259.2000       57.17747 ?        ?        68.28645 8.755491 ?              ?        
1 1 1 0   20 47 o 48.92532 7.979790 132.1208       36.89882 101.1000       52.32789 162.8000       52.03892 39.75665 12.24441 52.37444 10.51653 -12.61779      16.14072 
1 1 1 0   20 48 o 24.16212 10.65243 7.102000       49.12037 7.102000       49.12037 0.000000       0.000000 24.16212 10.65243 ?        ?        ?              ?        
1 1 1 0   20 49 f 32.25065 9.253079 61.32877       30.73078 52.60000       42.00605 71.38000       45.07594 30.01410 10.97288 33.74326 11.44727 -3.729155      15.85699 
1 1 1 0   20 50 o 18.42555 8.160461 -1.687111      29.14382 22.07000       39.88905 -28.89000      42.68393 24.35831 10.13143 18.96384 8.927277 5.394470       13.50341 
1 1 1 0   20 51 o 27.97992 9.336760 45.33435       29.99245 -4.909000      40.73803 104.8000       44.31940 20.86861 9.414344 40.82965 10.88966 -19.96104      14.39495 
1 1 1 0   20 52 o 20.25715 8.568485 9.945435       29.27973 20.76000       40.29821 -2.148000      42.61437 24.11715 10.11810 21.54046 9.680685 2.576687       14.00327 
1 1 1 0   20 53 o 27.52368 9.258788 43.85757       29.48712 86.20000       40.71636 -2.844000      42.76089 37.00150 10.66166 21.46604 9.667984 15.53546       14.39239 
1 1 1 0   20 54 o 44.88012 10.18850 123.8000       43.73119 123.8000       43.73119 0.000000       0.000000 44.88012 10.18850 ?        ?        ?              ?        
1 1 1 0   20 55 o 55.92195 9.637920 186.5000       50.85168 0.000000       0.000000 186.5000       50.85168 ?        ?        55.92195 9.637920 ?              ?        
1 1 1 0   20 56 o 22.41856 8.924615 22.64551       29.37477 43.37000       39.13025 -4.113000      44.46330 27.43735 10.47519 21.40039 9.726371 6.036957       14.29447 
1 1 1 0   20 57 o 18.92320 8.164450 6.440464       27.54795 7.136000       36.10195 5.471000       42.62226 20.91308 9.179214 21.92477 9.779908 -1.011692      13.41285 
1 1 1 0   21 1  o 58.93610 3.861573 170.9394       22.15405 168.0211       32.39753 173.5026       30.36250 58.22895 5.759531 59.23606 5.292235 -1.007111      7.821761 
1 1 1 0   21 2  o 194.9307 4.792793 1863.337       91.44822 1837.000       158.3448 1876.517       112.0178 192.9760 8.403046 195.4367 5.862271 -2.460709      10.24585 
1 1 1 0   21 3  o 357.3668 6.852656 6275.814       239.7062 6336.612       341.7066 6216.908       336.3485 358.2195 9.754441 354.8371 9.693068 3.382324       13.75153 
1 1 1 0   21 4  o 197.1417 4.187977 1905.036       80.81444 1894.017       114.3487 1916.031       114.2291 196.3264 5.957297 197.4705 5.916412 -1.144089      8.396030 
1 1 1 0   21 5  o 144.2208 4.961792 1021.400       69.93996 1021.400       69.93996 0.000000       0.000000 144.2208 4.961792 ?        ?        ?              ?        
1 1 1 0   21 6  o 131.1976 3.914821 844.3387       50.21782 864.5112       61.92762 805.6000       85.81765 132.6840 4.776049 127.8408 6.883436 4.843140       8.378087 
1 1 1 0   21 7  o 268.4305 5.313615 3535.672       139.6137 3726.194       204.3729 3368.962       191.1745 275.0911 7.597251 261.5878 7.473979 13.50336       10.65733 
1 1 1 0   21 8  o 155.0984 3.594680 1178.754       54.57250 1177.136       77.23757 1180.367       77.11692 154.8123 5.104006 155.0265 5.088931 -0.2142029     7.207502 
1 1 1 0   21 9  o 463.7865 8.769388 10606.07       398.1013 11220.00       828.6802 10421.88       453.9109 471.1111 18.00352 459.1848 10.09896 11.92636       20.64257 
1 1 1 0   21 10 o 99.34911 3.170101 484.0378       30.78840 575.6000       69.83311 461.9456       34.30220 108.0104 6.637313 97.02280 3.618290 10.98755       7.559494 
1 1 1 0   21 11 f 243.3136 5.646237 2906.850       134.4720 0.000000       0.000000 2906.850       134.4720 ?        ?        243.3136 5.646237 ?              ?        
1 1 1 0   21 12 o 260.0289 5.992282 3321.659       152.5177 3577.000       278.2011 3211.939       182.3656 268.5631 10.60378 255.3629 7.303405 13.20026       12.87556 
1 1 1 0   21 13 o 249.0140 4.984318 3042.900       121.4886 3505.000       269.0843 2924.588       136.1558 265.8806 10.35923 244.0244 5.700286 21.85616       11.82400 
1 1 1 0   21 14 o 104.1136 3.875483 532.1259       39.42583 0.000000       0.000000 532.1259       39.42583 ?        ?        104.1136 3.875483 ?              ?        
1 1 1 0   21 15 o 184.8776 4.491930 1676.703       81.28745 2033.000       165.1032 1562.702       93.39079 202.8332 8.333668 178.3149 5.356768 24.51833       9.906816 
1 1 1 0   21 16 o 164.6643 5.485062 1333.306       88.28372 1367.000       126.1860 1301.000       123.5595 166.3422 7.771495 162.2621 7.802387 4.080109       11.01242 
1 1 1 0   21 17 o 263.8399 10.76919 3463.000       277.5340 0.000000       0.000000 3463.000       277.5340 ?        ?        263.8399 10.76919 ?              ?        
1 1 1 0   21 18 o 98.62730 5.198324 479.1334       50.00696 477.8000       71.64630 480.4000       69.82973 98.14886 7.514807 98.45402 7.297931 -0.3051605     10.47531 
1 1 1 0   21 19 o 194.8801 6.087568 1870.313       115.9804 2025.000       171.5193 1740.000       157.4274 202.1461 8.688741 187.3769 8.606356 14.76917       12.22962 
1 1 1 0   21 20 o 112.0553 5.169058 618.3796       56.54293 649.4000       80.65491 588.4000       79.29010 114.5024 7.233282 108.9233 7.482352 5.579041       10.40701 
1 1 1 0   21 21 o 99.64644 5.207509 489.4925       50.61605 458.2000       69.47095 524.9000       73.89777 96.03030 7.448961 102.8317 7.391022 -6.801437      10.49353 
1 1 1 0   21 22 o 148.6490 5.393401 1088.644       78.34486 1141.000       112.8904 1040.000       108.8147 151.6905 7.627608 144.7843 7.705961 6.906113       10.84261 
1 1 1 0   21 23 o 210.6780 6.462623 2192.854       133.1130 2157.000       186.6046 2230.000       189.9401 207.9529 9.190202 211.4450 9.199273 -3.492096      13.00332 
1 1 1 0   21 24 f 107.3932 5.196866 569.2944       54.46701 606.0000       78.37021 535.0000       75.75244 110.3638 7.295603 103.6142 7.520339 6.749626       10.47766 
1 1 1 0   21 25 o 74.40663 5.814184 274.9494       42.00944 269.8000       58.58404 280.4000       60.27258 73.14650 8.330671 74.56763 8.403977 -1.421135      11.83330 
1 1 1 0   21 26 o 162.4251 5.614008 1304.720       89.12079 1257.000       122.7038 1358.000       129.6549 158.6056 7.928896 164.8123 8.061440 -6.206757      11.30726 
1 1 1 0   21 27 o 58.79985 6.909485 174.1700       39.00948 165.0000       52.79065 185.2000       57.89785 56.38229 9.927981 59.70156 10.27841 -3.319271      14.29023 
1 1 1 0   21 28 o 89.47592 5.505841 397.7773       47.98745 412.4000       65.92719 381.3000       69.98329 90.54060 7.506416 86.75829 8.343711 3.782303       11.22336 
1 1 1 0   21 29 o 102.3184 5.236664 519.6877       52.27185 543.2000       73.25713 495.3000       74.60851 103.9553 7.244751 99.05235 7.756987 4.902946       10.61401 
1 1 1 0   21 30 o 138.9919 7.587825 974.0000       102.8401 974.0000       102.8401 0.000000       0.000000 138.9919 7.587825 ?        ?        ?              ?        
1 1 1 0   21 31 o 111.3620 7.351445 627.1000       79.68559 627.1000       79.68559 0.000000       0.000000 111.3620 7.351445 ?        ?        ?              ?        
1 1 1 0   21 32 o 59.65574 6.581291 180.5816       37.79196 146.9000       53.31346 214.6000       53.57935 52.20900 10.78936 64.28487 8.741196 -12.07587      13.88592 
1 1 1 0   21 33 o 81.62943 7.853938 341.6000       61.98022 0.000000       0.000000 341.6000       61.98022 ?        ?        81.62943 7.853938 ?              ?        
1 1 1 0   21 34 o 100.3711 5.175407 503.4405       50.67463 544.5000       73.32499 465.9000       70.11240 103.3638 7.294162 95.43207 7.567672 7.931702       10.51068 
1 1 1 0   21 35 o 69.14195 5.998504 241.8262       40.19543 281.3000       58.10496 205.6000       55.66345 73.62177 8.202201 62.24302 9.431508 11.37876       12.49918 
1 1 1 0   21 36 o 62.63231 6.512240 200.3143       39.34187 164.5000       55.23234 237.2000       56.05232 54.82303 10.67666 67.16566 8.732440 -12.34262      13.79299 
1 1 1 0   21 37 o 51.54690 7.739042 139.1943       37.84300 101.8000       52.89631 178.4000       54.16232 42.31623 12.13944 57.33467 10.01533 -15.01844      15.73762 
1 1 1 0   21 38 o 63.34560 6.683904 206.6064       40.81909 165.0000       56.78272 251.1000       58.71981 54.27555 11.06393 68.63594 8.953548 -14.36039      14.23294 
1 1 1 0   21 39 o 76.87993 6.002872 301.8967       44.81506 328.0000       63.75396 276.4000       63.00875 78.62478 8.414735 71.58338 9.205384 7.041397       12.47184 
1 1 1 0   21 40 o 61.46953 7.063600 197.9167       41.72883 163.8000       57.17627 236.8000       61.03998 53.23188 11.32186 65.43335 9.834270 -12.20147      14.99658 
1 1 1 0   21 41 o 97.46426 5.569756 485.1733       52.91463 472.7000       73.89541 498.3000       75.80635 94.05187 8.105838 96.59148 8.092211 -2.539604      11.45375 
1 1 1 0   21 42 o 67.59176 6.410916 238.0567       41.90800 238.7000       58.96481 237.4000       59.57360 65.45613 9.478709 65.15183 9.631495 0.3042984      13.51339 
1 1 1 0   21 43 o 23.11139 10.29590 -2.811000      47.08025 -2.811000      47.08025 0.000000       0.000000 23.11139 10.29590 ?        ?        ?              ?        
1 1 1 0   21 44 o 57.16247 7.043123 173.9415       38.57548 247.8000       56.07804 107.6000       53.14777 66.97588 8.764030 41.52129 12.24349 25.45458       15.05693 
1 1 1 0   21 45 o 57.46655 9.878473 190.1000       53.56383 0.000000       0.000000 190.1000       53.56383 ?        ?        57.46655 9.878473 ?              ?        
1 1 1 0   21 46 o 51.71281 7.474109 145.4100       36.73621 120.6000       52.12233 169.9000       51.78501 43.76569 11.86967 53.80866 10.20539 -10.04297      15.65373 
1 1 1 0   21 47 o 55.00074 7.025374 163.0374       36.95970 138.5000       51.74215 188.6000       52.81210 47.28703 11.32779 56.88474 9.840917 -9.597717      15.00542 
1 1 1 0   21 48 o 24.34284 9.298475 29.02243       30.84290 30.58000       43.72540 27.48000       43.51227 26.29026 10.73689 25.78631 10.64019 0.5039520      15.11603 
1 1 1 0   21 49 o 54.31408 9.714497 174.2000       49.75021 174.2000       49.75021 0.000000       0.000000 54.31408 9.714497 ?        ?        ?              ?        
1 1 1 0   21 50 o 27.42047 9.303747 42.98647       29.77546 37.75000       40.75747 48.98000       43.60426 27.05646 10.59227 29.27349 11.08566 -2.217037      15.33258 
1 1 1 0   21 51 o 30.08645 9.387430 53.77671       30.64396 52.25000       42.25782 55.47000       44.50352 29.71182 10.98138 30.37769 11.26172 -0.6658688     15.72950 
1 1 1 0   21 52 o 44.62745 7.601393 111.2226       32.01580 89.22000       43.13934 138.2000       47.76801 37.35153 11.03496 47.26153 10.58892 -9.909996      15.29364 
1 1 1 0   21 53 o 35.15318 10.85783 78.72000       41.11215 78.72000       41.11215 0.000000       0.000000 35.15318 10.85783 ?        ?        ?              ?        
1 1 1 0   21 54 o 22.32741 9.830210 7.209000       41.69764 0.000000       0.000000 7.209000       41.69764 ?        ?        22.32741 9.830210 ?              ?        
1 1 1 0   21 55 o 40.48336 8.259263 95.04290       31.61859 83.25000       42.34714 109.9000       47.53143 35.65624 11.02083 40.65663 11.45600 -5.000389      15.89650 
1 1 1 0   21 56 o 22.04752 8.849012 21.57301       29.11966 18.97000       38.48306 25.06000       44.54071 23.07746 9.795020 24.78257 10.52901 -1.705109      14.38062 
1 1 1 0   21 57 o 23.55155 8.931437 29.69788       28.32790 50.65000       37.34015 1.288000       43.48073 28.45094 10.35409 21.52526 9.716906 6.925682       14.19949 
1 1 1 0   22 0  o 488.3132 13.04686 11774.99       623.0477 11780.00       881.8489 11770.00       880.3979 486.2072 18.56372 486.0114 18.54059 0.1958923      26.23672 
1 1 1 0   22 1  o 340.2146 6.553230 5688.506       218.2301 5740.626       310.8534 5637.854       306.4417 340.9177 9.324120 337.8664 9.274870 3.051361       13.15152 
1 1 1 0   22 2  o 44.27565 4.965497 97.37164       21.14924 33.67739       29.99991 160.3042       29.81998 27.28839 9.337208 56.89435 5.420072 -29.60596      10.79632 
1 1 1 0   22 3  o 102.1266 3.802908 511.8832       37.94912 480.9000       66.45348 526.8769       46.22833 98.65437 6.925691 103.5500 4.572187 -4.895607      8.298800 
1 1 1 0   22 4  o 223.4090 4.601045 2447.867       100.6152 2466.239       143.1674 2429.938       141.4311 223.9127 6.539203 222.2627 6.507887 1.649979       9.225713 
1 1 1 0   22 5  o 184.7455 4.627439 1675.042       83.61398 1829.000       151.7811 1607.963       100.1868 192.5227 8.072246 180.8804 5.665633 11.64224       9.862076 
1 1 1 0   22 6  o 27.46004 8.710015 36.54031       26.27650 36.54031       26.27650 0.000000       0.000000 27.46004 8.710015 ?        ?        ?              ?        
1 1 1 0   22 7  o 174.1196 4.488105 1487.857       76.42840 1485.863       93.02342 1492.000       134.0710 173.8872 5.472169 173.8653 7.898628 0.2189636E-01  9.609004 
1 1 1 0   22 8  o 203.2427 4.962849 2026.888       98.73070 2084.000       175.1508 2000.289       119.5306 205.3497 8.733829 201.6867 6.061621 3.663010       10.63123 
1 1 1 0   22 9  o 299.2531 5.854139 4398.962       171.4778 4779.000       363.7083 4290.341       194.4453 309.8694 12.01412 295.3620 6.725688 14.50742       13.76859 
1 1 1 0   22 10 o 387.8482 8.569983 7421.354       325.3478 7585.000       572.7677 7343.400       395.3147 388.5861 15.08728 384.8974 10.50263 3.688690       18.38291 
1 1 1 0   22 11 o 69.90488 3.368026 240.0190       22.97785 251.0000       53.10972 237.4902       25.48670 70.95880 7.773558 69.50397 3.760261 1.454834       8.635262 
1 1 1 0   22 12 o 111.5206 4.200050 610.7708       45.76558 0.000000       0.000000 610.7708       45.76558 ?        ?        111.5206 4.200050 ?              ?        
1 1 1 0   22 13 o 231.2551 6.577576 2632.983       148.7380 0.000000       0.000000 2632.983       148.7380 ?        ?        231.2551 6.577576 ?              ?        
1 1 1 0   22 14 o 232.5219 6.587945 2662.547       149.7897 0.000000       0.000000 2662.547       149.7897 ?        ?        232.5219 6.587945 ?              ?        
1 1 1 0   22 15 o 166.2753 5.008714 1358.794       81.42629 0.000000       0.000000 1358.794       81.42629 ?        ?        166.2753 5.008714 ?              ?        
1 1 1 0   22 16 o 34.13265 12.00659 51.51000       49.76473 0.000000       0.000000 51.51000       49.76473 ?        ?        34.13265 12.00659 ?              ?        
1 1 1 0   22 17 o 182.0454 5.838451 1631.558       103.9015 1606.000       145.7063 1658.000       148.2032 180.0743 8.288709 182.9702 8.296646 -2.895859      11.72762 
1 1 1 0   22 18 o 101.3840 5.170863 506.4517       51.14487 412.2000       68.69167 623.7000       76.61481 91.02062 7.784732 112.2451 7.008282 -21.22446      10.47464 
1 1 1 0   22 19 o 45.53283 8.511189 105.9172       36.53899 90.79000       50.38344 122.7000       53.06896 41.98627 11.78201 48.60305 11.36007 -6.616779      16.36664 
1 1 1 0   22 20 o 187.3087 5.995795 1730.046       109.7870 1624.000       150.1136 1852.000       160.9799 180.7825 8.507016 193.0705 8.539361 -12.28798      12.05363 
1 1 1 0   22 21 o 203.2735 6.325205 2040.347       125.6993 2143.000       182.1426 1947.000       173.6898 207.3992 8.993565 197.6669 9.000677 9.732254       12.72385 
1 1 1 0   22 22 o 189.5262 6.068450 1774.165       112.4329 1716.000       156.0213 1837.000       162.1647 185.5328 8.614780 191.9601 8.652811 -6.427292      12.21006 
1 1 1 0   22 23 o 131.7285 5.218283 856.3257       67.15113 917.6000       96.50071 798.8000       93.50233 135.8439 7.284088 126.6358 7.577934 9.208076       10.51109 
1 1 1 0   22 24 o 52.22353 7.486828 138.1670       37.17784 188.6000       51.78628 84.53000       53.40593 60.79438 8.971801 40.51657 12.34954 20.27782       15.26448 
1 1 1 0   22 25 o 77.29666 5.693174 296.9481       42.77237 280.3000       57.35958 317.8000       64.19436 74.53284 7.986742 79.29227 8.398563 -4.759422      11.58982 
1 1 1 0   22 26 o 124.4523 5.195944 766.6138       63.15638 863.3000       91.24762 677.7000       87.50322 131.4486 7.118408 116.1988 7.737442 15.24974       10.51379 
1 1 1 0   22 27 o 103.1610 5.190633 527.7201       52.24496 522.0000       71.43118 534.3000       76.61160 101.9886 7.201645 103.0262 7.651598 -1.037636      10.50765 
1 1 1 0   22 28 o 77.93374 5.657912 302.9829       42.86671 262.1000       56.81822 357.0000       65.31042 71.67950 8.248349 83.85776 8.055676 -12.17826      11.52949 
1 1 1 0   22 29 o 130.5943 7.366367 859.6000       93.78201 859.6000       93.78201 0.000000       0.000000 130.5943 7.366367 ?        ?        ?              ?        
1 1 1 0   22 30 o 102.9344 5.255558 527.8553       52.77711 667.8000       78.58977 412.9000       71.22826 115.0466 7.012186 89.85468 8.188384 25.19197       10.78056 
1 1 1 0   22 31 o 100.2695 5.146117 501.1248       50.33841 493.4000       71.30404 508.8000       71.07503 98.52548 7.448837 100.1306 7.301958 -1.605148      10.43090 
1 1 1 0   22 32 o 100.9107 7.358946 518.3000       72.18778 0.000000       0.000000 518.3000       72.18778 ?        ?        100.9107 7.358946 ?              ?        
1 1 1 0   22 33 o 75.35918 5.578465 285.4466       40.85704 338.4000       59.43346 238.0000       56.25835 81.23077 7.561728 67.49225 8.719373 13.73852       11.54154 
1 1 1 0   22 34 o 100.2712 5.222002 503.3662       51.07640 523.9000       72.74446 483.4000       71.73206 101.1788 7.396304 97.04533 7.612373 4.133469       10.61384 
1 1 1 0   22 35 o 79.83505 5.568604 321.0978       43.24291 337.4000       61.84134 305.5000       60.49045 80.69421 7.931829 76.61164 8.193592 4.082565       11.40390 
1 1 1 0   22 36 o 77.59922 5.592775 304.0876       42.19566 289.6000       58.41037 319.9000       61.02265 74.45521 8.147596 78.33112 8.074408 -3.875908      11.47081 
1 1 1 0   22 37 o 79.18365 5.601152 317.4276       43.13276 341.9000       60.02510 291.3000       62.02177 81.05601 7.656289 74.12650 8.714259 6.929504       11.59987 
1 1 1 0   22 38 o 33.12663 10.07295 60.71750       35.55894 28.10000       49.12742 96.61000       51.53479 28.15158 11.42409 40.72378 12.06866 -12.57220      16.61813 
1 1 1 0   22 39 o 73.60806 6.298756 279.3495       44.94652 267.6000       62.54154 291.9000       64.63827 69.97294 9.366313 73.22742 9.222065 -3.254486      13.14436 
1 1 1 0   22 40 o 31.38003 10.30930 54.98569       36.60678 56.42000       50.59512 53.41000       53.03029 32.37863 12.00697 32.05398 12.20501 0.3246498      17.12103 
1 1 1 0   22 41 o 51.04982 7.752351 140.4264       37.52146 185.4000       52.49198 93.44000       53.65381 57.43233 9.681407 39.07650 12.45218 18.35582       15.77297 
1 1 1 0   22 42 o 81.81273 8.039637 361.0000       63.55120 361.0000       63.55120 0.000000       0.000000 81.81273 8.039637 ?        ?        ?              ?        
1 1 1 0   22 43 o 43.85071 8.634288 107.4023       35.74073 96.09000       51.02352 118.3000       50.07975 39.36581 12.08482 44.09435 11.48926 -4.728539      16.67471 
1 1 1 0   22 44 o 32.73561 11.75804 62.82000       47.95414 0.000000       0.000000 62.82000       47.95414 ?        ?        32.73561 11.75804 ?              ?        
1 1 1 0   22 45 o 49.85118 7.667645 135.8927       36.21787 107.5000       51.72625 163.2000       50.72794 41.14492 12.06424 52.73864 10.19568 -11.59371      15.79550 
1 1 1 0   22 46 o 57.22982 6.727893 174.9118       36.96934 181.0000       53.13692 169.2000       51.46809 55.47614 10.15981 53.57383 10.18695 1.902309       14.38734 
1 1 1 0   22 47 o 48.55445 7.405345 129.4830       34.08281 147.6000       48.63543 112.0000       47.77679 49.46653 10.37639 42.06464 11.34530 7.401890       15.37483 
1 1 1 0   22 48 o 62.58619 5.847417 206.2478       35.40727 220.9000       48.28226 189.2000       52.08000 62.93149 8.020122 56.61612 9.749506 6.315369       12.62439 
1 1 1 0   22 49 o 41.87446 8.013568 99.02169       31.64979 81.24000       42.31562 121.6000       47.68258 35.85183 11.00526 43.94382 11.08758 -8.091995      15.62210 
1 1 1 0   22 50 o 26.89124 10.74769 36.46000       42.76994 36.46000       42.76994 0.000000       0.000000 26.89124 10.74769 ?        ?        ?              ?        
1 1 1 0   22 51 o 29.06209 9.348931 50.02506       30.19037 25.48000       40.97958 79.16000       44.64703 24.87508 10.30087 34.95658 11.37926 -10.08151      15.34912 
1 1 1 0   22 52 o 39.61383 10.70680 99.14000       42.49668 99.14000       42.49668 0.000000       0.000000 39.61383 10.70680 ?        ?        ?              ?        
1 1 1 0   22 53 o 28.17337 10.98350 44.95000       43.67439 0.000000       0.000000 44.95000       43.67439 ?        ?        28.17337 10.98350 ?              ?        
1 1 1 0   22 54 o 23.30317 8.990143 26.91190       29.02802 37.67000       38.80921 13.25000       43.73433 26.43531 10.33984 23.34428 10.17781 3.091034       14.50863 
1 1 1 0   22 55 o 26.74811 9.299973 42.28101       29.80425 9.727000       39.35323 86.07000       45.64157 21.96859 9.614656 35.59826 11.49887 -13.62967      14.98885 
1 1 1 0   22 56 o 26.75301 9.220142 43.15556       29.26746 42.36000       38.76683 44.21000       44.63074 26.81899 10.37785 27.42649 10.97314 -0.6075058     15.10330 
1 1 1 0   23 1  o 421.0779 8.001680 8737.698       329.7994 8977.445       475.5480 8515.538       457.7733 425.1470 11.43783 414.1283 11.30357 11.01868       16.08088 
1 1 1 0   23 2  o 210.1226 4.402316 2165.381       90.54412 2028.768       123.6028 2323.583       133.0117 203.0794 6.225430 217.3415 6.258838 -14.26208      8.827743 
1 1 1 0   23 3  o 209.6381 4.393271 2155.406       90.14973 2119.303       126.3726 2192.816       128.6395 207.5631 6.227131 211.1347 6.231376 -3.571640      8.809495 
1 1 1 0   23 4  o 160.4620 4.324577 1263.642       67.86191 1188.000       114.9084 1304.155       84.09332 155.1293 7.590530 162.9061 5.280706 -7.776794      9.246730 
1 1 1 0   23 5  o 183.7037 4.654310 1656.650       83.62372 1542.000       140.7046 1719.262       103.9801 176.6671 8.158696 187.0066 5.687119 -10.33952      9.945232 
1 1 1 0   23 6  o 108.4336 3.255014 576.6461       34.50888 576.9036       49.06733 576.3941       48.54275 108.3417 4.637633 108.2985 4.589670 0.4324341E-01  6.524777 
1 1 1 0   23 7  o 146.3474 5.016273 1052.429       71.75134 1120.000       101.5253 985.0000       101.4182 150.7133 6.900337 141.2437 7.361085 9.469604       10.08961 
1 1 1 0   23 8  f 151.0906 7.417506 1127.000       109.3634 1127.000       109.3634 0.000000       0.000000 151.0906 7.417506 ?        ?        ?              ?        
1 1 1 0   23 9  o 192.6286 4.141632 1819.714       78.09055 1946.000       164.0404 1782.709       88.79767 198.3834 8.467189 190.5977 4.759679 7.785721       9.713282 
1 1 1 0   23 10 o 76.68939 3.409284 288.8129       25.52805 315.9000       57.26167 282.0939       28.51896 79.73548 7.422022 75.75386 3.858832 3.981621       8.365225 
1 1 1 0   23 11 o 155.6885 4.144501 1189.703       63.10280 1391.000       123.2206 1118.145       73.46774 167.8226 7.520231 150.8324 4.983018 16.99023       9.021327 
1 1 1 0   23 12 o 57.35988 4.396050 162.3741       24.49373 0.000000       0.000000 162.3741       24.49373 ?        ?        57.35988 4.396050 ?              ?        
1 1 1 0   23 13 o 152.0504 4.046428 1134.847       60.16992 0.000000       0.000000 1134.847       60.16992 ?        ?        152.0504 4.046428 ?              ?        
1 1 1 0   23 14 o 237.2135 5.518523 2765.860       128.1352 0.000000       0.000000 2765.860       128.1352 ?        ?        237.2135 5.518523 ?              ?        
1 1 1 0   23 15 o 279.9589 6.353444 3858.961       174.1044 0.000000       0.000000 3858.961       174.1044 ?        ?        279.9589 6.353444 ?              ?        
1 1 1 0   23 16 o 96.94878 5.207166 463.3223       49.23269 458.5000       68.74444 468.4000       70.54140 96.09766 7.364451 97.11411 7.478443 -1.016449      10.49582 
1 1 1 0   23 17 o 86.26837 5.399615 367.4576       45.36670 347.3000       62.70389 389.6000       65.71865 83.46134 7.764490 88.45739 7.665709 -4.996048      10.91102 
1 1 1 0   23 18 o 121.1341 5.156962 722.9376       61.00588 736.0000       85.67085 709.5000       86.89281 121.8419 7.215714 119.5673 7.461660 2.274651       10.37993 
1 1 1 0   23 19 o 132.4153 5.235190 864.1570       67.72050 796.4000       92.31630 943.1000       99.64562 126.6437 7.480441 137.8686 7.411153 -11.22488      10.53006 
1 1 1 0   23 20 o 148.5323 5.401256 1088.078       78.39674 1157.000       112.9455 1024.000       108.9044 152.6100 7.584778 143.4916 7.782899 9.118423       10.86749 
1 1 1 0   23 21 o 85.63014 5.482825 362.9517       45.71403 328.4000       62.21328 403.5000       67.39611 80.91798 7.957573 89.82441 7.740831 -8.906425      11.10151 
1 1 1 0   23 22 o 104.1671 5.189889 536.1980       52.75027 548.2000       73.57087 523.5000       75.67388 104.8666 7.211313 102.3603 7.607183 2.506302       10.48200 
1 1 1 0   23 23 o 162.9962 5.597202 1314.131       89.16817 1322.000       125.0833 1306.000       127.1477 162.6465 7.880302 161.5782 8.064816 1.068298       11.27566 
1 1 1 0   23 24 o 104.8127 5.199381 543.8987       53.17581 520.5000       71.98712 572.0000       78.88992 101.9717 7.259695 106.8106 7.595277 -4.838860      10.50673 
1 1 1 0   23 25 o 107.1131 5.155315 568.4530       53.89235 552.7000       73.65878 586.6000       79.05791 105.0045 7.210319 108.0803 7.519859 -3.075798      10.41811 
1 1 1 0   23 26 o 71.96409 5.780833 258.6230       40.37816 210.3000       53.96241 320.1000       60.86545 63.95391 8.857730 79.45916 7.931509 -15.50525      11.88984 
1 1 1 0   23 27 o 76.43220 5.595447 291.5379       41.57168 291.4000       56.55156 291.7000       61.32000 75.75864 7.734566 75.54431 8.436518 0.2143326      11.44545 
1 1 1 0   23 28 o 140.0884 7.506303 991.1000       102.5524 991.1000       102.5524 0.000000       0.000000 140.0884 7.506303 ?        ?        ?              ?        
1 1 1 0   23 29 o 163.9287 5.627542 1340.762       90.16447 1419.000       130.8362 1270.000       124.4286 167.0198 8.026511 157.9530 8.074763 9.066772       11.38537 
1 1 1 0   23 30 o 52.92701 7.192165 143.7895       36.29688 134.1000       51.71059 153.2000       50.96070 49.69810 10.92806 53.55180 10.09207 -3.853699      14.87523 
1 1 1 0   23 31 o 57.27723 9.608617 174.2000       51.96435 0.000000       0.000000 174.2000       51.96435 ?        ?        57.27723 9.608617 ?              ?        
1 1 1 0   23 32 o 104.7252 5.070256 547.8445       51.81969 601.8000       75.21722 499.1000       71.49278 108.7324 7.106213 98.79375 7.447948 9.938690       10.29418 
1 1 1 0   23 33 o 70.07684 5.848857 248.1471       39.75363 190.1000       54.94781 311.9000       57.58511 59.59811 9.756427 77.78988 7.662127 -18.19177      12.40549 
1 1 1 0   23 34 o 26.83126 9.688261 33.52562       32.60781 40.11000       45.85484 26.79000       46.37844 30.06850 11.37236 27.92225 11.18103 2.146252       15.94823 
1 1 1 0   23 35 o 49.22644 7.659375 127.1239       35.70620 81.06000       48.99504 179.3000       52.14434 38.08337 11.86805 57.67194 9.572586 -19.58857      15.24746 
1 1 1 0   23 36 f 68.66560 5.989068 240.3410       39.85120 187.5000       53.13142 308.3000       60.25446 58.80035 9.559394 76.59682 8.162186 -17.79646      12.56994 
1 1 1 0   23 37 o 60.60872 6.609029 190.0950       38.57389 145.9000       51.86546 244.8000       57.70386 50.79990 10.76552 67.43852 8.963333 -16.63862      14.00849 
1 1 1 0   23 38 o 69.21250 6.250000 247.0814       41.88618 306.0000       59.81764 190.4000       58.67100 75.75199 8.197785 57.90018 10.74791 17.85181       13.51744 
1 1 1 0   23 39 o 27.98379 10.03137 40.42784       34.88504 32.00000       47.57423 50.23000       51.30675 28.03141 11.28975 31.36491 11.98986 -3.333498      16.46861 
1 1 1 0   23 40 o 25.68469 9.755091 30.58685       33.82444 46.88000       46.28931 11.92000       49.54659 30.20664 11.42577 25.44718 10.96407 4.759460       15.83537 
1 1 1 0   23 41 o 38.98622 11.68363 92.46000       48.08889 92.46000       48.08889 0.000000       0.000000 38.98622 11.68363 ?        ?        ?              ?        
1 1 1 0   23 42 o 37.66796 9.406506 81.58233       34.57558 59.48000       47.72405 106.0000       50.16148 32.27458 11.71141 41.47245 11.79701 -9.197868      16.62308 
1 1 1 0   23 43 o 33.53587 11.85058 67.06000       48.52166 0.000000       0.000000 67.06000       48.52166 ?        ?        33.53587 11.85058 ?              ?        
1 1 1 0   23 44 o 72.97431 5.869245 277.3560       41.57028 300.8000       59.56868 255.1000       58.03964 73.78624 8.396986 67.31800 9.036209 6.468239       12.33541 
1 1 1 0   23 45 o 36.29832 9.455057 77.31209       33.92295 86.01000       47.91365 68.57000       48.03517 36.91742 11.76759 33.45942 11.79389 3.457996       16.66049 
1 1 1 0   23 46 o 23.21416 9.190929 23.30192       30.99224 31.12000       43.60414 15.32000       44.05869 26.39363 10.74346 24.16451 10.37426 2.229120       14.93477 
1 1 1 0   23 47 o 73.25866 5.442608 279.4979       38.74883 304.6000       54.32506 253.5000       55.28582 74.48956 7.555110 66.81934 8.656111 7.670212       11.48947 
1 1 1 0   23 48 o 44.62858 7.511015 110.6100       31.64687 100.3000       41.83673 124.4000       48.38484 40.20751 10.51341 44.33366 11.15949 -4.126148      15.33186 
1 1 1 0   23 49 o 51.74406 6.790346 145.4231       33.56296 158.2000       46.39868 131.4000       48.60881 51.70619 9.518249 45.61731 11.01245 6.088875       14.55579 
1 1 1 0   23 50 o 22.37848 8.984048 20.96617       30.02292 2.043000       41.75064 41.23000       43.20430 21.77961 9.699557 27.64651 10.88085 -5.866899      14.57650 
1 1 1 0   23 51 o 22.52805 9.821054 9.739000       40.71419 9.739000       40.71419 0.000000       0.000000 22.52805 9.821054 ?        ?        ?              ?        
1 1 1 0   23 52 o 24.36825 10.35478 21.08000       43.09174 0.000000       0.000000 21.08000       43.09174 ?        ?        24.36825 10.35478 ?              ?        
1 1 1 0   23 53 o 22.09336 8.780116 21.46111       28.38417 30.87000       37.75277 9.227000       43.04926 25.16744 10.08446 22.76413 10.00658 2.403316       14.20662 
1 1 1 0   23 54 f 24.45796 9.101998 32.59573       29.12308 27.73000       38.75221 38.91000       44.14529 24.56120 10.07813 26.89719 10.86027 -2.335987      14.81601 
1 1 1 0   23 55 o 23.52641 9.120680 28.77565       29.98511 73.82000       40.15983 -27.97000      45.07524 33.29094 10.78896 19.07985 9.039473 14.21109       14.07528 
1 1 1 0   24 0  o 241.4683 6.944430 2864.219       163.9652 2786.000       228.6651 2947.000       235.2382 237.6992 9.849357 244.4820 9.850193 -6.782822      13.92969 
1 1 1 0   24 1  o 118.1840 3.376475 685.0789       39.01961 668.2263       55.69879 701.3201       54.67946 116.5794 4.891972 119.4585 4.685370 -2.879128      6.773779 
1 1 1 0   24 2  o 121.7350 3.384170 726.8451       40.28583 741.5920       57.97519 713.0759       56.02061 122.8288 4.831520 120.4481 4.760999 2.380707       6.783119 
1 1 1 0   24 3  o 333.4919 6.454950 5470.689       210.7096 5692.198       306.0328 5271.032       290.5468 339.1642 9.226890 326.4145 9.102583 12.74976       12.96119 
1 1 1 0   24 4  o 111.5574 3.332667 610.4510       36.35042 602.5430       51.92757 618.0499       50.90228 110.6972 4.803858 112.1318 4.647769 -1.434601      6.684221 
1 1 1 0   24 5  o 267.2302 6.151814 3511.448       160.9144 3590.000       283.7810 3474.222       195.3574 268.6837 10.81244 265.3967 7.527785 3.286957       13.17484 
1 1 1 0   24 6  o 67.32249 4.367095 223.2818       28.62260 187.4000       52.79270 238.2203       34.06362 60.90652 9.136855 69.47427 5.043453 -8.567745      10.43641 
1 1 1 0   24 7  o 34.46983 6.145380 60.17467       19.97402 71.69016       28.39960 48.90258       28.09787 37.41705 7.996771 31.06325 8.826976 6.353802       11.91066 
1 1 1 0   24 8  o 114.4433 3.972327 643.1115       44.43063 756.3000       84.44880 599.7877       52.24631 123.7140 7.002373 110.4258 4.845488 13.28819       8.515396 
1 1 1 0   24 9  o 24.19864 7.641524 28.46538       20.24508 -9.725000      49.68625 36.06806       22.16881 24.76757 10.82235 26.82342 7.906852 -2.055849      13.40304 
1 1 1 0   24 10 f 165.3767 4.333215 1342.982       70.08360 1628.000       139.0967 1246.009       81.13477 181.4315 7.851036 159.1696 5.214675 22.26190       9.425052 
1 1 1 0   24 11 o 198.2053 4.853868 1929.218       94.16931 0.000000       0.000000 1929.218       94.16931 ?        ?        198.2053 4.853868 ?              ?        
1 1 1 0   24 12 o 132.8994 3.366993 866.4395       43.76447 1075.000       102.5227 819.9665       48.39543 147.4774 7.123188 129.2388 3.829874 18.23853       8.087505 
1 1 1 0   24 13 f 16.64214 6.432793 8.751565       14.88313 0.000000       0.000000 8.751565       14.88313 ?        ?        16.64214 6.432793 ?              ?        
1 1 1 0   24 14 o 131.4812 3.736572 848.7366       48.03994 0.000000       0.000000 848.7366       48.03994 ?        ?        131.4812 3.736572 ?              ?        
1 1 1 0   24 15 o 90.09885 2.971232 398.3526       26.16783 434.6000       65.22756 391.3999       28.56748 93.53738 7.179134 89.28270 3.274423 4.254684       7.890615 
1 1 1 0   24 16 o 209.7406 4.350540 2160.753       89.31654 2367.000       194.0298 2105.300       100.6099 218.0183 9.112294 206.9188 4.967461 11.09953       10.37832 
1 1 1 0   24 17 o 94.87193 5.286654 444.3882       48.89943 486.7000       69.04193 401.8000       69.26710 98.94751 7.177353 89.68359 7.973597 9.263916       10.72812 
1 1 1 0   24 18 o 174.7108 5.788072 1506.747       98.84622 1492.000       138.6237 1522.000       140.9855 173.1098 8.204410 174.8243 8.262228 -1.714478      11.64374 
1 1 1 0   24 19 o 105.3285 5.218662 547.9315       53.63607 536.0000       74.32085 560.9000       77.48367 103.7056 7.369554 106.0617 7.512159 -2.356148      10.52344 
1 1 1 0   24 20 o 46.16550 8.300122 109.3032       36.12791 86.65000       48.55483 137.4000       54.07496 40.79211 11.60756 51.21508 11.10721 -10.42297      16.06567 
1 1 1 0   24 21 o 79.17666 5.561491 311.1389       42.82756 357.7000       59.50566 261.1000       61.68791 84.52805 7.262352 71.65811 8.992348 12.86993       11.55872 
1 1 1 0   24 22 o 71.04701 5.964880 251.6536       41.09879 245.4000       55.09381 259.5000       61.71265 69.57499 8.250312 71.33246 9.041355 -1.757469      12.23984 
1 1 1 0   24 23 o 87.38000 5.373291 379.0630       45.73547 383.6000       62.40895 373.8000       67.21788 87.36508 7.366553 86.00723 8.079026 1.357857       10.93329 
1 1 1 0   24 24 o 113.3606 5.131345 636.9655       56.79002 596.0000       76.86707 686.2000       84.26871 108.9616 7.248312 116.8862 7.403454 -7.924568      10.36094 
1 1 1 0   24 25 o 73.16890 5.786357 267.5464       41.10460 302.0000       57.03062 230.3000       59.29696 77.19531 7.648068 66.73472 9.332494 10.46059       12.06600 
1 1 1 0   24 26 o 89.28362 5.313473 396.9314       46.22614 398.1000       63.34447 395.6000       67.61119 88.72697 7.359846 88.22720 7.913016 0.4997711      10.80663 
1 1 1 0   24 27 o 111.6250 7.175296 629.5000       77.98324 629.5000       77.98324 0.000000       0.000000 111.6250 7.175296 ?        ?        ?              ?        
1 1 1 0   24 28 o 75.49224 5.611657 285.6523       41.17015 300.5000       57.93005 270.5000       58.52121 76.60698 7.835817 72.40142 8.414278 4.205559       11.49783 
1 1 1 0   24 29 o 97.49878 7.446453 484.3000       70.52718 0.000000       0.000000 484.3000       70.52718 ?        ?        97.49878 7.446453 ?              ?        
1 1 1 0   24 30 o 86.07832 7.629015 379.8000       63.61396 0.000000       0.000000 379.8000       63.61396 ?        ?        86.07832 7.629015 ?              ?        
1 1 1 0   24 31 o 66.90117 5.906039 226.2968       38.27877 181.3000       52.68738 276.6000       55.70748 58.31662 9.561181 73.13978 7.906881 -14.82316      12.40705 
1 1 1 0   24 32 o 48.37658 7.564084 122.0525       34.64546 122.4000       48.82324 121.7000       49.17077 47.10051 10.81817 46.92323 10.91254 0.1772804      15.36607 
1 1 1 0   24 33 o 50.59464 7.323076 133.1993       35.21294 206.5000       51.61508 69.38000       48.16137 62.54087 8.663950 35.78068 11.82815 26.76019       14.66183 
1 1 1 0   24 34 o 66.28638 6.002496 223.5623       38.52425 204.5000       53.36984 244.3000       55.66567 61.90164 9.077841 68.04796 8.545257 -6.146320      12.46710 
1 1 1 0   24 35 o 85.92414 5.339177 372.8286       44.68324 341.8000       61.06118 408.6000       65.56190 80.85419 7.812564 88.57829 7.636152 -7.724091      10.92460 
1 1 1 0   24 36 o 56.21397 6.949078 164.8706       37.42315 153.8000       51.65545 177.1000       54.29154 52.33536 10.44970 56.41130 10.20810 -4.075943      14.60827 
1 1 1 0   24 37 o 53.02771 7.484828 149.2291       37.77086 126.8000       51.56276 175.2000       55.48475 46.53947 11.40867 55.53960 10.59267 -9.000130      15.56799 
1 1 1 0   24 38 o 51.86810 7.521637 143.8392       37.07443 124.2000       50.86413 166.1000       54.15257 45.74440 11.40085 53.67116 10.68370 -7.926754      15.62436 
1 1 1 0   24 39 o 63.70201 6.343582 211.5461       39.02912 168.2000       51.69626 269.0000       59.51744 54.29544 10.09883 69.97110 8.890442 -15.67566      13.45460 
1 1 1 0   24 40 o 53.99890 9.866171 166.4000       50.22723 166.4000       50.22723 0.000000       0.000000 53.99890 9.866171 ?        ?        ?              ?        
1 1 1 0   24 41 o 52.20757 7.329554 146.5355       36.42547 182.5000       51.55975 110.7000       51.46716 56.64118 9.645085 42.26339 11.92509 14.37778       15.33739 
1 1 1 0   24 42 o 32.24444 11.74282 60.26000       48.04008 0.000000       0.000000 60.26000       48.04008 ?        ?        32.24444 11.74282 ?              ?        
1 1 1 0   24 43 o 28.85004 9.827170 47.02387       33.22390 49.94000       46.64133 44.02000       47.33778 30.15440 11.45459 29.20664 11.42083 0.9477596      16.17538 
1 1 1 0   24 44 o 47.35983 7.870454 124.0314       35.20510 169.2000       50.42294 81.07000       49.17555 53.76244 9.948016 35.82153 11.95546 17.94092       15.55301 
1 1 1 0   24 45 o 24.51702 9.374047 29.42765       31.36602 53.08000       44.01153 5.015000       44.71331 30.19144 11.19807 22.97209 10.14404 7.219351       15.10954 
1 1 1 0   24 46 o 20.19523 8.570312 9.052085       29.45331 11.29000       39.79765 6.342000       43.79526 22.73882 9.811971 22.85118 10.06710 -0.1123695     14.05778 
1 1 1 0   24 47 o 30.93344 9.193329 56.81654       29.86994 53.64000       39.70163 60.96000       45.34325 29.92140 10.70437 31.40499 11.41270 -1.483583      15.64715 
1 1 1 0   24 48 o 42.90669 7.896120 103.9838       31.94071 64.90000       42.99889 152.1000       47.70945 32.11934 11.17029 50.15137 10.06903 -18.03203      15.03864 
1 1 1 0   24 49 o 40.35267 8.493873 94.33306       32.48620 123.1000       44.77589 62.36000       47.20516 44.54227 10.45103 31.49655 11.61253 13.04571       15.62290 
1 1 1 0   24 50 o 65.58758 8.306876 244.2000       52.13492 244.2000       52.13492 0.000000       0.000000 65.58758 8.306876 ?        ?        ?              ?        
1 1 1 0   24 51 o 26.19142 10.76975 32.49000       44.37392 0.000000       0.000000 32.49000       44.37392 ?        ?        26.19142 10.76975 ?              ?        
1 1 1 0   24 52 o 17.46663 8.274488 -29.42000      37.75374 -29.42000      37.75374 0.000000       0.000000 17.46663 8.274488 ?        ?        ?              ?        
1 1 1 0   24 53 o 31.35997 9.275835 60.21918       30.46682 28.49000       40.47517 101.7000       46.27889 24.89773 10.26670 38.91050 11.41194 -14.01278      15.35048 
1 1 1 0   24 54 o 19.94787 8.484641 10.70847       28.98037 31.29000       38.38363 -16.58000      44.19741 24.91401 10.10245 19.90092 9.276012 5.013098       13.71510 
1 1 1 0   24 55 o 49.84657 7.058162 139.5480       33.47550 137.1000       44.93806 142.6000       50.17703 46.31807 10.18928 46.00360 11.24041 0.3144646      15.17130 
1 1 1 0   25 1  o 225.0610 4.653151 2486.534       102.5070 2464.952       144.7643 2508.236       145.1702 223.6395 6.620413 225.6054 6.580913 -1.965973      9.334789 
1 1 1 0   25 2  o 286.9103 5.661605 4046.910       158.9981 3938.500       221.1750 4162.853       228.7298 282.2959 8.012442 290.2144 8.059692 -7.918488      11.36476 
1 1 1 0   25 3  o 229.3100 4.717202 2581.593       105.8799 2556.399       149.2308 2607.131       150.2480 227.7279 6.702069 229.9833 6.681387 -2.255463      9.463544 
1 1 1 0   25 4  o 156.9598 3.706157 1208.101       56.94012 1217.212       81.46838 1199.400       79.61459 157.3019 5.298698 156.1578 5.215940 1.144089       7.435203 
1 1 1 0   25 5  o 258.4588 5.185330 3281.999       131.1819 3345.505       188.1302 3221.899       183.0141 260.3276 7.390466 255.4885 7.325808 4.839111       10.40608 
1 1 1 0   25 6  o 145.4952 4.170149 1039.502       59.32778 1074.000       107.2898 1024.308       71.20450 147.3564 7.462757 144.3147 5.048475 3.041794       9.009986 
1 1 1 0   25 7  o 181.6241 4.651303 1620.684       82.62224 1595.000       144.1263 1633.255       100.8361 179.4444 8.227432 182.1592 5.662214 -2.714767      9.987557 
1 1 1 0   25 8  o 199.3976 4.913507 1953.070       95.89980 2060.000       173.8587 1906.307       114.9724 203.7940 8.735916 196.7332 5.977423 7.060837       10.58517 
1 1 1 0   25 9  o 81.41970 4.991960 326.9410       39.59261 411.9000       62.73426 270.7000       51.04189 91.10549 7.090632 73.73135 7.162573 17.37415       10.07867 
1 1 1 0   25 10 o 123.1335 4.558293 745.6229       54.84466 0.000000       0.000000 745.6229       54.84466 ?        ?        123.1335 4.558293 ?              ?        
1 1 1 0   25 11 o 138.0947 3.928847 936.5598       53.05259 1100.000       105.7706 881.6185       61.32466 149.0676 7.270891 133.8803 4.686867 15.18726       8.650582 
1 1 1 0   25 12 o 187.1512 4.655097 1720.934       85.27612 0.000000       0.000000 1720.934       85.27612 ?        ?        187.1512 4.655097 ?              ?        
1 1 1 0   25 13 o 41.11757 4.288514 83.92537       17.00657 53.74000       49.23737 88.01433       18.12187 34.35516 11.95285 42.09352 4.466348 -7.738361      12.76005 
1 1 1 0   25 14 o 48.83698 3.593034 117.6617       17.05553 146.5000       51.34945 114.0857       18.08209 53.30512 10.21316 48.05304 3.877232 5.252075       10.92436 
1 1 1 0   25 15 o 95.19717 3.602369 445.4155       33.50689 530.7000       69.52615 419.6150       38.24078 103.3728 6.910946 92.31782 4.243244 11.05499       8.109642 
1 1 1 0   25 16 o 115.1470 3.961334 652.0800       44.58133 0.000000       0.000000 652.0800       44.58133 ?        ?        115.1470 3.961334 ?              ?        
1 1 1 0   25 17 o 73.58667 5.849513 268.9833       41.78678 330.5000       59.64939 209.7000       58.55662 81.24032 7.588967 64.03807 9.640516 17.20225       12.26915 
1 1 1 0   25 18 o 68.65401 6.075190 234.7977       40.40461 224.6000       55.49682 246.3000       58.94000 66.51236 8.735247 69.67026 8.841694 -3.157898      12.42900 
1 1 1 0   25 19 o 114.7590 5.108116 650.9415       57.23532 633.3000       78.65147 670.8000       83.44718 112.6536 7.169931 115.8833 7.395317 -3.229660      10.30042 
1 1 1 0   25 20 o 98.36576 5.203481 479.1472       49.92252 436.3000       67.03558 532.5000       74.80367 93.28719 7.402010 103.0951 7.463264 -9.807915      10.51143 
1 1 1 0   25 21 o 148.7743 5.388041 1096.333       78.33343 1047.000       106.7025 1154.000       115.3642 144.5470 7.567889 151.6640 7.797267 -7.116974      10.86602 
1 1 1 0   25 22 o 37.10007 9.405614 72.40469       34.19725 86.54000       45.88298 54.74000       51.29229 40.39029 11.21034 34.28536 12.17760 6.104931       16.55191 
1 1 1 0   25 23 o 106.9606 5.113020 567.6917       53.37627 555.4000       73.50935 581.4000       77.62997 105.0947 7.189177 107.4414 7.427332 -2.346703      10.33680 
1 1 1 0   25 24 o 81.32761 5.454832 329.7613       43.17247 313.9000       59.33905 347.6000       62.92918 78.58239 7.818123 82.70954 7.867674 -4.127151      11.09159 
1 1 1 0   25 25 o 35.81287 11.43172 66.86000       45.20490 66.86000       45.20490 0.000000       0.000000 35.81287 11.43172 ?        ?        ?              ?        
1 1 1 0   25 26 o 104.6109 7.182783 554.2000       73.10248 554.2000       73.10248 0.000000       0.000000 104.6109 7.182783 ?        ?        ?              ?        
1 1 1 0   25 27 o 117.8786 5.105871 692.3849       58.77327 769.1000       85.38210 623.3000       81.02489 123.2382 7.108233 110.6793 7.523768 12.55895       10.35056 
1 1 1 0   25 28 o 54.78378 10.18830 161.1000       52.62331 0.000000       0.000000 161.1000       52.62331 ?        ?        54.78378 10.18830 ?              ?        
1 1 1 0   25 29 o 38.78337 9.119348 80.84939       34.03318 49.57000       47.48096 113.9000       48.80677 32.17861 11.68084 45.44737 11.07449 -13.26876      16.09616 
1 1 1 0   25 30 o 72.52798 5.738665 265.4356       40.40836 247.0000       56.38588 284.9000       57.93780 68.70050 8.570939 74.07693 8.123580 -5.376434      11.80905 
1 1 1 0   25 31 o 34.62933 9.520241 65.01085       33.26743 61.75000       47.12600 68.25000       46.96890 34.29874 11.70355 35.59493 11.67672 -1.296188      16.53236 
1 1 1 0   25 32 f 61.22249 6.293514 191.4846       37.17815 192.1000       51.23045 190.8000       54.03748 60.06916 8.988964 59.53868 9.598674 0.5304832      13.15051 
1 1 1 0   25 33 o 28.28127 9.570931 40.84803       31.50882 63.99000       42.34526 12.14000       47.16354 34.26804 11.07642 25.75661 10.88380 8.511436       15.52882 
1 1 1 0   25 34 o 94.75262 5.201148 452.8221       48.05380 527.8000       69.40884 383.8000       66.59512 101.0877 7.059082 85.45355 8.056796 15.63411       10.71180 
1 1 1 0   25 35 o 77.99465 5.719264 310.1722       43.35918 264.9000       58.68383 364.6000       64.34468 70.21632 8.726074 83.04904 8.014835 -12.83273      11.84829 
1 1 1 0   25 36 o 83.74398 5.632792 358.2611       45.90395 348.1000       62.82363 369.9000       67.23682 80.82038 8.048241 83.04690 8.386137 -2.226517      11.62332 
1 1 1 0   25 37 o 68.20671 6.155187 241.0690       40.65191 234.8000       55.19724 248.5000       60.09556 65.46201 8.840060 66.88744 9.441168 -1.425430      12.93377 
1 1 1 0   25 38 o 88.12642 5.424888 397.4259       46.56858 392.6000       62.38269 403.5000       69.98720 85.92407 7.492101 86.25877 8.395221 -0.3347015     11.25217 
1 1 1 0   25 39 f 39.31744 11.34965 93.61000       46.10141 93.61000       46.10141 0.000000       0.000000 39.31744 11.34965 ?        ?        ?              ?        
1 1 1 0   25 40 o 33.63568 9.711811 65.65279       33.75219 46.17000       45.98843 88.40000       49.69205 29.71974 11.35378 37.79345 11.97664 -8.073711      16.50298 
1 1 1 0   25 41 o 48.71735 11.18150 143.7000       52.18895 0.000000       0.000000 143.7000       52.18895 ?        ?        48.71735 11.18150 ?              ?        
1 1 1 0   25 42 o 71.27075 5.991580 265.5112       41.41169 268.2000       58.44399 262.8000       58.68670 69.17625 8.832505 68.31590 8.994607 0.8603516      12.60619 
1 1 1 0   25 43 o 37.72490 9.311759 83.19993       34.17371 75.95000       47.78441 90.79000       48.89248 34.82566 11.78640 37.74748 11.86922 -2.921822      16.72715 
1 1 1 0   25 44 o 37.45507 9.194164 82.44553       33.45401 70.45000       47.47182 94.28000       47.15202 33.48108 11.73067 38.34504 11.58670 -4.863960      16.48819 
1 1 1 0   25 45 o 25.98761 9.358695 37.04496       30.40272 42.82000       41.83310 30.58000       44.26148 28.00756 10.79574 26.22067 10.76617 1.786884       15.24658 
1 1 1 0   25 46 o 21.23223 8.734151 15.55425       29.20050 27.74000       39.09486 0.1779000      43.91575 25.02225 10.17743 22.04741 9.874269 2.974834       14.18031 
1 1 1 0   25 47 o 33.59035 9.146045 67.31538       30.87471 53.84000       41.95701 83.23000       45.59656 29.91900 10.96193 35.74055 11.48855 -5.821552      15.87925 
1 1 1 0   25 48 o 15.04155 7.159592 -28.52000      28.93530 -18.49000      39.16086 -40.58000      42.94133 18.93139 8.792708 17.94050 8.589326 0.9908924      12.29180 
1 1 1 0   25 49 o 52.84546 6.797178 152.1742       34.34618 154.0000       46.11671 149.9000       51.46845 50.72429 9.640616 48.58513 11.07029 2.139153       14.67967 
1 1 1 0   25 50 o 20.90718 9.514297 -6.537000      42.71454 0.000000       0.000000 -6.537000      42.71454 ?        ?        20.90718 9.514297 ?              ?        
1 1 1 0   25 51 o 44.78847 7.561968 112.9438       31.97265 120.4000       43.18621 103.9000       47.56220 43.96092 10.22920 39.41325 11.57172 4.547668       15.44478 
1 1 1 0   25 52 o 25.86260 9.292513 38.42896       29.95459 51.85000       40.43782 22.11000       44.59034 29.00557 10.73831 24.48321 10.47230 4.522367       14.99935 
1 1 1 0   25 53 o 36.58152 11.01519 89.82000       42.66880 89.82000       42.66880 0.000000       0.000000 36.58152 11.01519 ?        ?        ?              ?        
1 1 1 0   25 54 o 25.01487 9.307384 35.98746       30.44929 17.83000       39.35736 63.06000       48.05770 22.79214 9.795419 30.47667 11.61528 -7.684532      15.19424 
1 1 1 0   26 0  o 257.6444 7.352145 3265.760       185.2238 3140.000       256.4095 3403.000       267.8573 251.9679 10.41887 262.3158 10.45306 -10.34790      14.75870 
1 1 1 0   26 1  o 174.5196 3.957884 1494.446       67.61040 1358.973       91.96821 1653.765       99.73437 166.1033 5.664859 183.2739 5.565981 -17.17052      7.941711 
1 1 1 0   26 2  o 203.2339 4.341835 2027.776       86.37255 1989.490       121.6449 2066.703       122.6599 200.8900 6.193676 204.7706 6.126568 -3.880600      8.711858 
1 1 1 0   26 3  o 136.5878 3.541391 915.5854       47.30699 871.7700       66.44598 960.6251       67.36793 133.0766 5.110562 139.7303 4.933309 -6.653671      7.103195 
1 1 1 0   26 4  o 179.8425 4.005552 1587.232       70.51164 1532.509       98.77196 1644.104       100.6928 176.3737 5.728885 182.7078 5.637093 -6.334030      8.037222 
1 1 1 0   26 5  f 322.5957 6.283003 5127.840       198.3956 5263.005       285.8083 5002.143       275.6167 325.5591 8.977462 317.4322 8.879229 8.126953       12.62678 
1 1 1 0   26 6  o 132.0177 3.470042 855.3715       44.80191 913.5853       65.59595 804.4714       61.33717 136.2493 4.926653 127.8454 4.910668 8.403908       6.956046 
1 1 1 0   26 7  o 112.9342 4.765011 627.8588       52.55558 607.3000       77.57507 645.3000       71.45161 110.6512 7.201547 114.2278 6.416281 -3.576569      9.645255 
1 1 1 0   26 8  o 60.34711 4.643224 179.9920       27.21652 197.7000       53.37778 173.7708       31.63820 62.48245 8.985730 59.16607 5.526974 3.316387       10.54945 
1 1 1 0   26 9  o 113.9398 3.334950 637.2742       37.15384 803.6000       86.25267 599.3813       41.16912 127.3648 6.944858 110.4459 3.813889 16.91891       7.923182 
1 1 1 0   26 10 o 243.2366 7.030482 2926.724       167.2108 0.000000       0.000000 2926.724       167.2108 ?        ?        243.2366 7.030482 ?              ?        
1 1 1 0   26 11 o 147.4944 4.058365 1069.204       58.53556 0.000000       0.000000 1069.204       58.53556 ?        ?        147.4944 4.058365 ?              ?        
1 1 1 0   26 12 o 62.01363 3.850739 189.5568       23.25891 0.000000       0.000000 189.5568       23.25891 ?        ?        62.01363 3.850739 ?              ?        
1 1 1 0   26 13 o 64.45270 3.661686 204.6135       23.00584 293.8000       57.12822 187.3504       25.13394 76.56238 7.728748 61.60100 4.193374 14.96138       8.793062 
1 1 1 0   26 14 o 65.43478 3.230015 210.6198       20.62410 298.1000       55.92737 196.8512       22.18785 77.14336 7.501217 63.21441 3.600749 13.92895       8.320676 
1 1 1 0   26 15 o 52.44752 3.354201 135.5845       17.12924 111.9000       49.17648 138.8548       18.27362 46.16752 11.03292 53.05788 3.538818 -6.890362      11.58656 
1 1 1 0   26 16 o 21.87323 4.921997 24.50967       10.28261 146.2000       47.06680 18.41046       10.53715 53.24507 9.373031 19.06851 5.401135 34.17656       10.81785 
1 1 1 0   26 17 o 71.41100 5.849133 253.9525       40.52695 303.8000       57.39898 204.4000       57.22893 77.70656 7.645306 63.05455 9.572856 14.65200       12.25113 
1 1 1 0   26 18 o 47.68975 7.740720 116.3487       34.89590 113.1000       47.97035 120.0000       50.85655 46.26513 10.79165 47.60204 11.11709 -1.336906      15.49353 
1 1 1 0   26 19 o 46.41215 7.971048 110.7946       34.90788 106.5000       48.03764 115.6000       50.81362 44.76928 11.03405 46.60214 11.26525 -1.832859      15.76883 
1 1 1 0   26 20 o 83.87013 5.370416 349.7351       43.85645 339.4000       60.60118 361.1000       63.54853 81.96358 7.641653 84.52032 7.768180 -2.556732      10.89676 
1 1 1 0   26 21 o 74.58273 5.654075 277.6653       40.96930 316.1000       57.13928 237.0000       58.77396 79.05367 7.472950 67.80808 9.083447 11.24558       11.76240 
1 1 1 0   26 22 o 119.0082 5.129333 703.2213       59.61055 604.3000       79.56391 829.8000       90.00185 109.4166 7.473809 128.4305 7.188089 -19.01387      10.36950 
1 1 1 0   26 23 o 117.0447 5.102128 680.9523       58.31289 735.7000       83.56886 629.0000       81.40737 120.8117 7.098181 111.4859 7.503681 9.325760       10.32906 
1 1 1 0   26 24 o 74.58476 7.886970 284.9000       56.70812 284.9000       56.70812 0.000000       0.000000 74.58476 7.886970 ?        ?        ?              ?        
1 1 1 0   26 25 o 98.58398 5.202149 484.8938       50.02136 559.7000       71.17866 411.9000       70.31110 105.1675 6.953544 89.61523 8.103062 15.55225       10.67761 
1 1 1 0   26 26 o 82.78984 5.336699 343.0950       43.01663 337.4000       59.57153 349.3000       62.18179 81.18848 7.583896 82.52036 7.790529 -1.331886      10.87234 
1 1 1 0   26 27 o 44.24318 11.50544 108.5000       50.28641 0.000000       0.000000 108.5000       50.28641 ?        ?        44.24318 11.50544 ?              ?        
1 1 1 0   26 28 o 18.86536 8.421047 -9.825839      31.65833 30.09000       43.84835 -53.29000      45.75582 28.12982 10.99414 18.79434 8.961925 9.335480       14.18405 
1 1 1 0   26 29 o 42.57920 8.647538 96.82928       34.80938 71.95000       47.68930 125.2000       50.92572 36.40863 11.75342 47.47881 11.14945 -11.07018      16.20041 
1 1 1 0   26 30 o 57.52855 6.633374 169.8712       36.66973 163.6000       51.15458 176.5000       52.59301 54.97136 9.869656 57.21187 9.740179 -2.240509      13.86655 
1 1 1 0   26 31 o 53.06062 6.856912 145.6025       34.78104 104.6000       46.34019 198.5000       52.63444 43.18443 10.94933 60.95792 9.099541 -17.77349      14.23690 
1 1 1 0   26 32 o 58.84811 6.309032 177.6980       35.77475 218.0000       48.87865 131.2000       52.50170 64.44299 7.914882 48.08018 11.34087 16.36281       13.82971 
1 1 1 0   26 33 o 26.28262 9.477948 33.27630       31.19524 9.353000       41.46941 64.46000       47.34576 23.93714 10.16426 34.25577 11.72974 -10.31863      15.52092 
1 1 1 0   26 34 o 44.34517 8.407600 106.8676       35.15912 101.7000       47.55119 113.1000       52.22129 41.75927 11.34218 43.75103 11.88734 -1.991764      16.43027 
1 1 1 0   26 35 o 53.99880 7.368617 154.8907       37.93219 117.6000       49.99047 205.5000       58.23742 44.59060 11.40825 60.31896 10.22883 -15.72836      15.32244 
1 1 1 0   26 36 o 30.50158 9.838017 52.05764       33.41702 78.15000       45.27755 20.84000       49.52520 36.30747 11.42278 26.60639 11.19295 9.701077       15.99256 
1 1 1 0   26 37 o 50.46943 10.00086 146.1000       47.65805 146.1000       47.65805 0.000000       0.000000 50.46943 10.00086 ?        ?        ?              ?        
1 1 1 0   26 38 o 39.04874 11.16283 92.10000       44.80365 92.10000       44.80365 0.000000       0.000000 39.04874 11.16283 ?        ?        ?              ?        
1 1 1 0   26 39 o 65.65269 6.300775 225.9413       39.99400 249.3000       56.21492 202.0000       56.91165 67.00893 8.781762 59.05229 10.21556 7.956646       13.47134 
1 1 1 0   26 40 o 27.76359 11.19948 34.77000       46.89696 0.000000       0.000000 34.77000       46.89696 ?        ?        27.76359 11.19948 ?              ?        
1 1 1 0   26 41 o 66.00034 6.255113 229.3903       39.92759 276.3000       56.59333 182.9000       56.33978 70.63658 8.346210 55.22583 10.80951 15.41076       13.65668 
1 1 1 0   26 42 o 114.4731 5.251738 674.8196       58.68863 747.8000       85.53589 609.9000       80.67386 117.5961 7.469639 105.6376 7.858328 11.95853       10.84199 
1 1 1 0   26 43 o 46.84136 7.898494 122.5083       34.92754 108.2000       49.07162 137.2000       49.72485 40.98588 11.67131 47.01186 11.00190 -6.025982      16.03936 
1 1 1 0   26 44 o 27.70892 9.549741 44.23875       31.39739 60.59000       42.87492 25.33000       46.10618 31.37393 11.13463 25.65656 10.79690 5.717371       15.50977 
1 1 1 0   26 45 o 38.48454 8.684527 86.42596       31.93478 75.00000       42.98576 100.5000       47.70762 34.21649 11.16740 39.13285 11.61558 -4.916355      16.11311 
1 1 1 0   26 46 o 27.68337 9.367157 44.60167       30.18134 46.42000       41.08441 42.47000       44.48369 28.45729 10.76420 27.97770 11.03169 0.4795914      15.41319 
1 1 1 0   26 47 f 25.81440 9.447375 36.78570       31.15047 47.06000       42.01217 24.24000       46.42439 28.54136 10.86434 25.35554 10.75997 3.185823       15.29087 
1 1 1 0   26 48 o 26.83338 9.404792 41.50198       30.51496 59.64000       41.00901 19.00000       45.67670 30.89942 10.89676 24.49828 10.54091 6.401136       15.16081 
1 1 1 0   26 49 o 22.03051 9.854855 2.099000       43.60205 0.000000       0.000000 2.099000       43.60205 ?        ?        22.03051 9.854855 ?              ?        
1 1 1 0   26 50 o 13.97630 6.738916 -34.24112      27.52441 -31.33000      36.58065 -38.04000      41.78780 16.95350 8.064098 17.73435 8.485931 -0.7808514     11.70644 
1 1 1 0   26 51 o 26.98083 9.195685 43.13322       29.09186 43.51000       38.81018 42.65000       43.95214 27.34464 10.43410 27.48374 10.92465 -0.1390991     15.10689 
1 1 1 0   26 52 o 25.66850 9.236483 38.31182       29.60705 16.21000       39.32895 67.22000       44.97889 22.72792 9.780152 31.63270 11.38425 -8.904785      15.00842 
1 1 1 0   26 53 o 33.39204 9.159746 69.64547       30.83464 84.00000       41.58221 52.11000       45.95911 35.08080 10.93361 28.56168 11.22804 6.519123       15.67204 
1 1 1 0   27 1  f 88.29428 3.528869 383.0937       30.43677 385.6203       44.76698 380.9218       41.50595 88.37715 5.197967 87.88588 4.843593 0.4912720      7.104876 
1 1 1 0   27 2  o 59.21242 4.247310 173.0898       24.45336 146.9946       36.40006 194.5535       33.01218 54.09480 7.041445 62.63249 5.438644 -8.537693      8.897235 
1 1 1 0   27 3  o 234.0921 4.810865 2694.551       110.2342 2760.938       158.9223 2632.992       153.0337 236.2848 6.878683 230.7737 6.782130 5.511108       9.659895 
1 1 1 0   27 4  o 226.7465 4.694908 2527.720       104.2015 2523.475       147.7832 2531.917       146.9467 225.9334 6.689861 226.3280 6.640259 -0.3946228     9.425883 
1 1 1 0   27 5  o 66.09054 3.869753 215.1761       24.92439 228.8757       36.42381 203.1125       34.17990 67.94708 5.524183 63.98459 5.511093 3.962490       7.803124 
1 1 1 0   27 6  o 131.8962 4.909310 857.0164       63.27039 901.7000       94.27748 820.4000       85.34376 134.8037 7.170761 128.6555 6.801153 6.148148       9.883092 
1 1 1 0   27 7  o 410.7492 9.142820 8411.203       367.5896 8573.000       646.2562 8333.821       446.9300 406.4161 16.27822 406.8195 11.23434 -0.4033813     19.77855 
1 1 1 0   27 8  o 50.85749 5.376440 128.8260       26.35959 57.18000       49.50136 157.1826       31.14214 34.94623 11.99293 56.17037 5.744984 -21.22414      13.29794 
1 1 1 0   27 9  o 83.29531 3.818191 341.4736       31.04758 0.000000       0.000000 341.4736       31.04758 ?        ?        83.29531 3.818191 ?              ?        
1 1 1 0   27 10 o 140.5091 4.008519 970.9828       55.07450 0.000000       0.000000 970.9828       55.07450 ?        ?        140.5091 4.008519 ?              ?        
1 1 1 0   27 11 o 150.9664 4.216021 1121.590       62.23916 1191.000       114.7184 1092.637       74.09151 154.6260 7.602879 148.8149 5.093971 5.811081       9.151628 
1 1 1 0   27 12 o 61.20601 3.593513 184.6348       21.43407 129.8000       52.35197 195.6776       23.49338 49.73652 11.04151 62.98690 3.828645 -13.25038      11.68646 
1 1 1 0   27 13 o 38.79674 4.504719 75.09181       16.78915 172.7000       49.24318 62.25319       17.85921 58.08292 8.948406 35.12221 5.364766 22.96071       10.43334 
1 1 1 0   27 14 o 100.7191 3.444693 498.9558       33.91011 0.000000       0.000000 498.9558       33.91011 ?        ?        100.7191 3.444693 ?              ?        
1 1 1 0   27 15 o 124.5821 3.634503 763.7057       44.27335 919.7000       92.75235 717.6761       50.38363 135.7682 7.003106 120.6413 4.273403 15.12696       8.203991 
1 1 1 0   27 16 o 38.69434 3.562368 74.23817       13.34116 102.7000       46.36520 71.66896       13.93030 44.01476 10.83562 37.97888 3.798142 6.035885       11.48201 
1 1 1 0   27 17 o 61.19109 6.174016 187.8379       36.47443 190.8000       50.85511 184.7000       52.34231 60.94286 8.778047 59.79413 9.240721 1.148731       12.74539 
1 1 1 0   27 18 o 48.07477 7.600308 118.5220       34.57722 141.3000       48.38570 94.75000       49.43018 51.88015 9.889060 42.10212 11.61654 9.778023       15.25574 
1 1 1 0   27 19 o 71.14764 5.747685 253.0864       39.68716 291.8000       55.88591 213.7000       56.36945 75.84800 7.631125 64.25080 9.227531 11.59720       11.97420 
1 1 1 0   27 20 o 111.6408 5.111201 619.1096       55.70555 628.0000       77.68506 609.7000       79.92165 111.6648 7.144959 109.8729 7.475874 1.791817       10.34114 
1 1 1 0   27 21 o 99.93547 5.179245 497.1063       50.49030 526.0000       70.85537 467.3000       71.96570 102.0513 7.138308 95.90276 7.731829 6.148552       10.52315 
1 1 1 0   27 22 o 74.04620 5.697741 274.9847       40.97900 288.3000       56.86576 260.6000       59.10522 75.03291 7.859172 70.95245 8.691757 4.080452       11.71807 
1 1 1 0   27 23 o 69.64957 8.338157 250.7000       55.71701 250.7000       55.71701 0.000000       0.000000 69.64957 8.338157 ?        ?        ?              ?        
1 1 1 0   27 24 o 56.64827 6.700596 163.7338       36.43564 195.5000       50.73441 129.9000       52.35956 61.16687 8.720494 48.67744 11.21927 12.48943       14.20982 
1 1 1 0   27 25 o 94.62673 5.264565 448.0788       48.56989 370.1000       64.95108 547.0000       73.15479 84.78902 7.917554 103.5874 7.260871 -18.79839      10.74281 
1 1 1 0   27 26 o 52.77575 10.62921 151.9000       53.00783 0.000000       0.000000 151.9000       53.00783 ?        ?        52.77575 10.62921 ?              ?        
1 1 1 0   27 27 o 67.75648 6.007394 232.6834       39.42971 226.0000       54.72221 239.9000       56.86348 65.54599 8.747437 67.52417 8.813503 -1.978180      12.41755 
1 1 1 0   27 28 o 85.42375 5.406220 367.0073       44.97229 416.1000       64.12888 319.5000       63.08482 89.98537 7.344567 78.22282 8.369114 11.76255       11.13484 
1 1 1 0   27 29 o 99.62206 5.161173 498.3439       50.15646 461.3000       68.12180 542.2000       74.12128 94.57227 7.418288 102.5584 7.434018 -7.986137      10.50217 
1 1 1 0   27 30 o 53.26702 7.149006 147.5928       36.33414 206.6000       50.52815 84.41000       52.28535 62.47691 8.481226 38.63820 12.29006 23.83871       14.93241 
1 1 1 0   27 31 o 25.71420 9.540661 30.00150       31.95247 41.55000       42.94458 15.68000       47.82335 29.58147 11.04412 26.21567 11.01197 3.365799       15.59603 
1 1 1 0   27 32 o 56.53911 6.727889 166.2551       36.50409 183.4000       49.89017 146.5000       53.55345 58.10925 9.067225 50.58486 11.11955 7.524391       14.34778 
1 1 1 0   27 33 o 39.41805 9.080875 86.47223       34.31558 115.1000       46.57243 52.47000       50.75617 44.65759 10.77839 31.91728 11.98799 12.74030       16.12097 
1 1 1 0   27 34 o 55.50266 7.026804 162.8323       37.32066 176.5000       51.01838 147.1000       54.73631 56.10932 9.636411 49.81342 11.46400 6.295906       14.97611 
1 1 1 0   27 35 o 45.81348 8.163118 114.8315       35.26386 101.7000       47.34092 131.2000       52.85468 41.17661 11.37119 46.70135 11.61167 -5.524746      16.25223 
1 1 1 0   27 36 o 47.88731 10.21974 133.1000       46.44372 133.1000       46.44372 0.000000       0.000000 47.88731 10.21974 ?        ?        ?              ?        
1 1 1 0   27 37 o 29.84035 9.794354 50.36418       33.04423 94.72000       44.57025 -3.776000      49.24131 39.58333 11.07205 23.31778 10.44858 16.26555       15.22377 
1 1 1 0   27 38 o 64.72398 9.123054 235.3000       56.19648 0.000000       0.000000 235.3000       56.19648 ?        ?        64.72398 9.123054 ?              ?        
1 1 1 0   27 39 o 56.60210 7.123752 172.2708       38.59602 187.7000       55.47948 157.8000       53.72863 56.43351 10.42762 51.07149 11.06800 5.362015       15.20644 
1 1 1 0   27 40 o 31.04064 9.933343 56.58011       34.11482 15.55000       47.67640 99.63000       48.83578 24.98249 10.75942 39.63664 11.74885 -14.65415      15.93113 
1 1 1 0   27 41 o 60.96998 6.534215 197.9595       38.38806 247.2000       54.91431 150.9000       53.68441 66.28047 8.672158 49.27865 11.36208 17.00182       14.29347 
1 1 1 0   27 42 o 38.77145 9.097268 88.21247       33.92645 91.72000       47.53279 84.57000       48.43852 37.63394 11.68350 36.08441 11.85910 1.549534       16.64759 
1 1 1 0   27 43 f 19.76037 8.519832 5.983696       29.95852 8.864000       40.60330 2.542000       44.38420 22.48771 9.805501 22.43011 9.994298 0.5760002E-01  14.00121 
1 1 1 0   27 44 o 17.89974 8.041800 -5.192515      29.37973 -38.42000      39.99341 33.76000       43.30195 17.38100 8.312768 26.42974 10.72538 -9.048742      13.56967 
1 1 1 0   27 45 o 48.46291 7.165449 129.3873       32.96727 106.1000       44.47050 157.8000       49.12115 40.81820 10.91794 50.88255 10.21789 -10.06435      14.95348 
1 1 1 0   27 46 o 39.77311 10.89466 101.3000       43.65685 101.3000       43.65685 0.000000       0.000000 39.77311 10.89466 ?        ?        ?              ?        
1 1 1 0   27 47 o 24.52330 9.258284 31.57733       30.35931 53.81000       41.07524 4.808000       45.07160 29.68396 10.85087 22.62174 10.07606 7.062223       14.80772 
1 1 1 0   27 48 o 30.51126 11.41476 58.24000       45.92318 0.000000       0.000000 58.24000       45.92318 ?        ?        30.51126 11.41476 ?              ?        
1 1 1 0   27 49 o 40.58556 8.209750 95.49074       31.49261 126.0000       42.74821 59.28000       46.57156 45.21270 9.931523 30.53449 11.48008 14.67822       15.17984 
1 1 1 0   27 50 o 24.78063 9.103030 34.10068       28.96348 27.52000       38.45272 42.73000       44.03316 24.47657 10.04078 27.48970 10.93221 -3.013126      14.84353 
1 1 1 0   27 51 f 21.51165 8.713261 19.72173       28.51733 51.84000       38.02375 -21.57000      43.11320 28.74853 10.45050 19.22467 9.025559 9.523861       13.80846 
1 1 1 0   27 52 o 31.86508 9.150646 63.51653       30.04129 47.02000       39.76492 85.45000       45.85191 27.53713 10.54827 34.74793 11.54300 -7.210802      15.63672 
1 1 1 0   28 0  o 205.0634 6.203361 2069.960       124.3717 1977.000       172.3362 2171.000       179.6692 199.8079 8.833494 209.4129 8.784758 -9.604935      12.45803 
1 1 1 0   28 1  o 252.0491 5.108242 3129.860       126.0268 3027.587       175.0384 3239.945       181.6002 246.9696 7.248595 255.4809 7.269315 -8.511230      10.26572 
1 1 1 0   28 2  o 198.8475 4.283318 1944.274       83.36938 1858.488       115.6172 2037.192       120.3280 193.8513 6.100826 202.9788 6.063133 -9.127472      8.601259 
1 1 1 0   28 3  o 61.12333 4.069982 184.4372       24.21166 192.8132       35.90810 177.4546       32.78547 62.20160 5.970975 59.70301 5.678500 2.498589       8.240019 
1 1 1 0   28 4  o 241.0663 4.928009 2862.381       116.2825 2890.990       165.8068 2834.690       163.1226 241.3771 7.025261 239.0346 6.979309 2.342499       9.902780 
1 1 1 0   28 5  o 36.83259 6.894821 69.35331       23.94434 73.60973       30.44395 62.45000       38.77105 37.70008 8.458519 34.97972 10.49263 2.720356       13.47745 
1 1 1 0   28 6  o 146.2906 3.602191 1051.146       51.58098 1007.000       103.7417 1065.643       59.45026 142.1599 7.481719 147.1561 4.131419 -4.996185      8.546622 
1 1 1 0   28 7  o 20.80316 7.473507 18.24446       19.37436 43.90000       45.93254 12.69208       21.36826 31.81959 11.49738 19.87263 7.700739 11.94696       13.83803 
1 1 1 0   28 8  o 61.66515 4.316768 188.0264       25.89124 0.000000       0.000000 188.0264       25.89124 ?        ?        61.66515 4.316768 ?              ?        
1 1 1 0   28 9  o 90.09521 3.969640 399.9601       34.92140 409.7000       67.11131 396.3438       40.89383 90.37344 7.658676 89.56844 4.680650 0.8049927      8.975734 
1 1 1 0   28 10 o 57.31203 3.901189 162.2858       21.75466 154.8000       50.92702 163.9567       24.06037 54.61271 9.890892 57.54945 4.302386 -2.936741      10.78611 
1 1 1 0   28 11 o 61.87614 4.332519 189.4830       26.07455 283.8000       54.36158 161.3002       29.71595 75.08234 7.496996 56.87848 5.402244 18.20386       9.240626 
1 1 1 0   28 12 o 62.23700 4.211411 191.6403       25.50454 264.3000       54.93708 171.6776       28.79577 72.27880 7.893273 58.74502 5.057024 13.53378       9.374287 
1 1 1 0   28 13 o 67.08416 3.362885 221.7525       22.01157 260.3000       55.83681 214.6599       23.95115 71.61080 8.108426 65.94865 3.725495 5.662148       8.923334 
1 1 1 0   28 14 f 79.82967 3.121544 313.5964       24.34457 424.8000       62.71512 293.8672       26.41599 92.00082 7.017195 77.21838 3.504073 14.78244       7.843440 
1 1 1 0   28 15 o 35.57072 4.328646 63.32055       14.76137 100.7000       46.90412 59.21131       15.55160 43.42256 11.01903 34.29869 4.760399 9.123867       12.00335 
1 1 1 0   28 16 o 119.7035 3.576034 706.0170       41.85307 0.000000       0.000000 706.0170       41.85307 ?        ?        119.7035 3.576034 ?              ?        
1 1 1 0   28 17 o 41.91713 3.302943 86.97327       13.44244 21.07000       44.64165 93.54475       14.09671 27.23198 10.94727 43.47613 3.338072 -16.24415      11.44488 
1 1 1 0   28 18 o 103.7408 5.032641 534.8556       50.95116 611.1000       73.41306 464.0000       70.77117 110.2127 6.838808 95.65866 7.621302 14.55403       10.23980 
1 1 1 0   28 19 o 108.2123 5.146901 582.8564       54.36031 693.1000       79.33716 485.3000       74.63252 117.2406 6.944523 97.61144 7.878138 19.62911       10.50197 
1 1 1 0   28 20 o 91.50658 5.305745 418.1081       47.31931 457.4000       66.21574 377.1000       67.64640 94.96008 7.176966 85.72929 8.159657 9.230782       10.86687 
1 1 1 0   28 21 o 63.24186 8.722860 208.4000       52.56047 208.4000       52.56047 0.000000       0.000000 63.24186 8.722860 ?        ?        ?              ?        
1 1 1 0   28 22 o 39.20892 11.53995 84.01000       47.25241 84.01000       47.25241 0.000000       0.000000 39.20892 11.53995 ?        ?        ?              ?        
1 1 1 0   28 23 o 58.63232 6.546847 175.2999       36.93252 169.8000       51.13052 181.3000       53.40461 56.44810 9.597095 58.32118 9.695313 -1.873081      13.64197 
1 1 1 0   28 24 o 71.42236 8.536139 266.3000       58.49608 0.000000       0.000000 266.3000       58.49608 ?        ?        71.42236 8.536139 ?              ?        
1 1 1 0   28 25 o 108.5429 7.455275 604.3000       78.72734 0.000000       0.000000 604.3000       78.72734 ?        ?        108.5429 7.455275 ?              ?        
1 1 1 0   28 26 f 67.30238 6.110204 230.1242       39.81420 268.9000       55.69515 189.6000       56.93695 71.86855 8.055686 59.13976 10.20438 12.72880       13.00091 
1 1 1 0   28 27 o 92.32611 5.304954 428.6972       47.73975 438.3000       66.21185 418.3000       68.89655 92.20853 7.398011 89.73692 7.925051 2.471603       10.84145 
1 1 1 0   28 28 o 43.30926 8.445536 100.5756       34.51605 40.39000       45.50693 182.1000       52.96330 29.87524 11.32233 57.96959 9.674769 -28.09435      14.89283 
1 1 1 0   28 29 o 41.55997 8.615834 93.44867       33.89750 136.5000       46.30328 43.73000       49.75975 49.81932 9.844489 30.86937 11.80591 18.94995       15.37184 
1 1 1 0   28 30 o 92.50716 5.196556 432.2610       46.86490 420.2000       64.00579 446.2000       68.80846 89.83286 7.343118 92.32635 7.683527 -2.493492      10.62817 
1 1 1 0   28 31 o 36.78743 9.407823 75.76171       34.00605 51.23000       45.31081 107.4000       51.45700 31.32541 11.40494 42.61573 11.88813 -11.29033      16.47423 
1 1 1 0   28 32 o 63.35039 6.384399 208.4827       39.04965 170.1000       50.87928 263.5000       60.91479 55.08875 9.794582 69.27145 9.211987 -14.18271      13.44599 
1 1 1 0   28 33 o 26.87890 9.743395 36.73064       33.02098 -8.152000      43.43139 98.22000       50.83520 21.76034 9.776805 40.16034 12.00728 -18.40000      15.48420 
1 1 1 0   28 34 o 48.74195 7.657388 128.4517       35.33018 71.71000       46.17262 208.6000       54.87577 34.77774 11.58415 60.92603 9.512494 -26.14829      14.98934 
1 1 1 0   28 35 o 64.33006 8.474170 227.6000       52.06375 227.6000       52.06375 0.000000       0.000000 64.33006 8.474170 ?        ?        ?              ?        
1 1 1 0   28 36 o 29.82841 9.757288 50.57281       32.80670 10.34000       42.64590 108.9000       51.34790 23.63001 10.17645 41.73988 11.95612 -18.10987      15.70060 
1 1 1 0   28 37 o 33.27195 11.84852 66.15000       48.58681 0.000000       0.000000 66.15000       48.58681 ?        ?        33.27195 11.84852 ?              ?        
1 1 1 0   28 38 o 57.92922 6.728732 179.0630       37.44467 126.6000       50.45231 243.4000       55.87078 45.16105 11.41077 65.73023 8.913339 -20.56918      14.47941 
1 1 1 0   28 39 o 53.03634 7.334640 153.1370       37.05852 110.3000       50.59939 202.7000       54.42702 41.52275 11.86056 59.01291 9.763508 -17.49015      15.36226 
1 1 1 0   28 40 o 30.82347 9.809441 56.19633       33.30532 20.84000       46.57060 93.21000       47.64961 25.34879 10.76778 38.16293 11.67146 -12.81415      15.87980 
1 1 1 0   28 41 o 36.86258 9.437049 81.14694       34.19257 64.40000       48.55618 97.62000       48.15749 32.13922 11.78972 38.69466 11.71328 -6.555443      16.61922 
1 1 1 0   28 42 o 40.76106 8.456286 95.79859       32.63198 107.9000       44.60946 81.87000       47.85887 41.30465 10.88325 35.30349 11.79456 6.001156       16.04858 
1 1 1 0   28 43 o 30.44799 9.487226 55.82523       31.31044 67.99000       42.12578 40.81000       46.80173 32.68412 11.06651 27.82232 11.20046 4.861799       15.74541 
1 1 1 0   28 44 o 27.49917 9.311523 44.14557       29.82417 63.13000       40.26886 21.08000       44.38667 31.70128 10.81859 24.63001 10.48913 7.071272       15.06864 
1 1 1 0   28 45 o 26.13174 10.45229 34.50000       40.48317 34.50000       40.48317 0.000000       0.000000 26.13174 10.45229 ?        ?        ?              ?        
1 1 1 0   28 46 o 37.16412 8.757079 81.72112       31.32967 76.72000       42.52186 87.66000       46.33732 34.32019 11.10002 36.24385 11.57454 -1.923660      16.03684 
1 1 1 0   28 47 o 25.74396 10.75649 29.35000       45.26207 0.000000       0.000000 29.35000       45.26207 ?        ?        25.74396 10.75649 ?              ?        
1 1 1 0   28 48 o 35.57061 8.837884 75.81977       30.63492 96.41000       41.19706 50.35000       45.81926 38.72343 10.57362 28.92433 11.25744 9.799093       15.44447 
1 1 1 0   28 49 o 21.72891 8.775228 20.03598       28.82812 21.05000       38.23405 18.70000       43.88609 23.39857 9.838504 23.88846 10.30582 -0.4898968     14.24802 
1 1 1 0   28 50 o 23.72684 9.008256 30.19772       28.83728 12.40000       38.23789 53.67000       43.91263 21.98015 9.550716 29.08477 11.09864 -7.104618      14.64227 
1 1 1 0   28 51 o 20.36869 8.548569 14.19971       28.78174 23.35000       37.66196 1.353000       44.62532 23.30457 9.779652 21.55733 9.776509 1.747240       13.82829 
1 1 1 0   29 1  o 156.3050 3.726909 1201.127       57.02008 1193.516       81.35506 1208.476       79.94070 155.3453 5.358349 156.3552 5.230715 -1.009949      7.488142 
1 1 1 0   29 2  o 100.1674 3.397385 493.4806       33.26202 434.9566       46.49829 554.8113       47.60026 93.73951 5.086726 106.0057 4.598416 -12.26616      6.857129 
1 1 1 0   29 3  o 134.4950 4.073546 891.0025       53.56538 865.5232       65.48941 942.5000       93.10442 132.3245 5.065560 137.5044 6.939909 -5.179947      8.591987 
1 1 1 0   29 4  o 193.1415 4.868518 1841.517       91.96707 1809.869       112.2900 1906.000       160.2847 191.0432 6.012349 194.8421 8.424232 -3.798935      10.34969 
1 1 1 0   29 5  o 162.0123 4.376482 1294.048       69.33961 1240.000       120.1525 1321.037       84.90469 157.3333 7.826571 163.4125 5.315187 -6.079117      9.460783 
1 1 1 0   29 6  o 107.3055 3.354835 566.3297       35.19373 694.2000       79.74213 535.3973       39.22016 117.9010 6.940481 104.2486 3.850168 13.65238       7.936881 
1 1 1 0   29 7  o 42.96849 5.747148 93.01512       23.56619 0.000000       0.000000 93.01512       23.56619 ?        ?        42.96849 5.747148 ?              ?        
1 1 1 0   29 8  o 127.9052 3.442672 804.8583       43.06206 1012.000       99.54094 757.1667       47.76273 142.2397 7.172630 123.9540 3.941621 18.28575       8.184314 
1 1 1 0   29 9  o 112.0138 3.921768 618.5493       42.93280 640.6000       78.49801 609.1381       51.28267 113.0659 7.129142 110.9744 4.731946 2.091560       8.556633 
1 1 1 0   29 10 o 65.85019 4.399633 214.8389       28.19559 203.5000       52.93064 219.3310       33.31587 62.92968 8.836101 66.38654 5.167698 -3.456852      10.23630 
1 1 1 0   29 11 o 27.10413 6.577937 38.05535       17.27255 88.31000       45.43069 29.56364       18.67492 40.72601 11.09675 24.18044 7.288673 16.54557       13.27639 
1 1 1 0   29 12 o 84.91289 3.833783 355.9268       31.78233 413.1000       63.22201 336.5919       36.76574 90.55704 7.191488 82.41843 4.575309 8.138611       8.523553 
1 1 1 0   29 13 o 45.59841 4.051444 103.3378       17.89474 156.7000       49.50797 95.31848       19.19232 54.70323 9.595792 43.68807 4.554877 11.01516       10.62196 
1 1 1 0   29 14 f 90.74226 3.092597 405.3579       27.42862 557.6000       69.39886 377.1740       29.85976 105.3521 6.765570 87.45542 3.495175 17.89673       7.615063 
1 1 1 0   29 15 o 55.02430 3.677217 149.8790       19.69156 0.000000       0.000000 149.8790       19.69156 ?        ?        55.02430 3.677217 ?              ?        
1 1 1 0   29 16 o 103.6112 3.063552 528.6049       31.03566 551.4000       71.66990 523.3437       34.43140 104.4875 7.048800 103.0171 3.419333 1.470398       7.834373 
1 1 1 0   29 17 o 118.5204 3.520291 693.1823       40.79400 0.000000       0.000000 693.1823       40.79400 ?        ?        118.5204 3.520291 ?              ?        
1 1 1 0   29 18 o 83.85378 7.652829 359.4000       62.12163 359.4000       62.12163 0.000000       0.000000 83.85378 7.652829 ?        ?        ?              ?        
1 1 1 0   29 19 o 42.83419 11.24888 100.7000       47.75955 100.7000       47.75955 0.000000       0.000000 42.83419 11.24888 ?        ?        ?              ?        
1 1 1 0   29 20 o 91.99049 7.464671 432.5000       66.63696 432.5000       66.63696 0.000000       0.000000 91.99049 7.464671 ?        ?        ?              ?        
1 1 1 0   29 21 o 48.73864 10.65922 129.9000       49.43229 129.9000       49.43229 0.000000       0.000000 48.73864 10.65922 ?        ?        ?              ?        
1 1 1 0   29 22 o 90.36964 5.220706 409.2388       45.98386 370.0000       62.67092 455.0000       67.67950 84.79367 7.632457 94.22544 7.397357 -9.431770      10.62898 
1 1 1 0   29 23 o 21.27628 9.722213 -22.90000      45.19360 0.000000       0.000000 -22.90000      45.19360 ?        ?        21.27628 9.722213 ?              ?        
1 1 1 0   29 24 o 81.39788 5.512148 333.7835       43.65873 348.0000       60.94752 318.8000       62.56997 82.04790 7.678146 78.15330 8.306305 3.894600       11.31144 
1 1 1 0   29 25 o 79.00941 5.596420 315.3016       43.00071 366.9000       60.13182 261.3000       61.51619 84.33766 7.357700 70.06893 9.190634 14.26873       11.77300 
1 1 1 0   29 26 o 68.70738 5.972828 240.2264       39.77013 280.0000       54.69309 195.6000       57.93360 73.30506 7.739091 59.76800 10.27292 13.53706       12.86182 
1 1 1 0   29 27 o 42.54599 8.473214 97.48543       34.04651 57.72000       45.07693 150.3000       51.94914 32.99558 11.43916 51.95440 10.57528 -18.95881      15.57854 
1 1 1 0   29 28 o 61.82373 6.403006 197.0117       38.18739 175.7000       50.33969 225.9000       58.60884 56.76434 9.387878 64.36059 9.596149 -7.596249      13.42454 
1 1 1 0   29 29 o 90.56243 5.330501 415.8525       47.04327 447.0000       64.69328 380.9000       68.53091 92.61069 7.192967 84.53260 8.393131 8.078087       11.05366 
1 1 1 0   29 30 o 49.99422 7.587044 133.4114       35.96320 76.42000       47.22373 212.1000       55.48961 36.20944 11.69649 61.98221 9.444160 -25.77277      15.03330 
1 1 1 0   29 31 f 30.47546 9.817061 51.89542       33.28180 48.04000       43.84015 57.14000       51.13188 30.23265 11.18306 32.38844 12.05908 -2.155788      16.44634 
1 1 1 0   29 32 o 79.84354 5.524223 327.0837       42.90732 360.5000       58.57802 288.4000       63.02607 82.42940 7.336748 72.18402 9.123612 10.24538       11.70761 
1 1 1 0   29 33 o 23.21871 9.270118 20.61141       31.78469 43.22000       40.85392 -14.06000      50.59211 28.81881 10.76942 22.60775 10.31377 6.211060       14.91155 
1 1 1 0   29 34 o 75.93465 7.670115 310.7000       56.22895 310.7000       56.22895 0.000000       0.000000 75.93465 7.670115 ?        ?        ?              ?        
1 1 1 0   29 35 o 60.81079 6.439926 195.0026       37.75070 167.9000       49.43985 232.9000       58.46229 54.04690 9.701963 63.86782 9.652501 -9.820915      13.68572 
1 1 1 0   29 36 o 39.40065 11.89073 97.94000       49.68115 0.000000       0.000000 97.94000       49.68115 ?        ?        39.40065 11.89073 ?              ?        
1 1 1 0   29 37 o 26.15991 9.555190 36.16010       31.84218 74.14000       42.89035 -10.48000      47.52941 34.68291 11.14182 21.97813 10.01504 12.70478       14.98136 
1 1 1 0   29 38 o 71.46944 5.798032 267.1890       40.21281 247.3000       54.47742 291.0000       59.60718 66.30112 8.596585 71.92265 8.639707 -5.621521      12.18794 
1 1 1 0   29 39 o 45.38623 8.133381 115.9556       34.80558 96.02000       47.07271 140.0000       51.69663 38.68048 11.55191 47.18929 11.33464 -8.508812      16.18396 
1 1 1 0   29 40 f 35.90847 9.312261 77.05474       33.00310 28.16000       45.52789 131.2000       47.91005 25.93439 10.80838 45.79151 10.85532 -19.85711      15.31858 
1 1 1 0   29 41 o 49.19822 7.288487 133.7844       34.03875 150.0000       46.29371 114.7000       50.22200 49.95811 9.817210 41.62925 11.79157 8.328865       15.34336 
1 1 1 0   29 42 o 23.50922 9.117977 26.82682       29.97723 40.99000       40.41065 9.496000       44.70181 27.31250 10.58827 23.16950 10.19039 4.143000       14.69543 
1 1 1 0   29 43 o 43.76836 7.887249 108.7464       32.54758 111.4000       43.87761 105.5000       48.53197 41.93759 10.66594 39.76900 11.69258 2.168594       15.82652 
1 1 1 0   29 44 o 32.14396 11.12381 66.42000       42.61754 66.42000       42.61754 0.000000       0.000000 32.14396 11.12381 ?        ?        ?              ?        
1 1 1 0   29 45 o 39.55029 8.557624 91.69321       32.16516 98.11000       43.17537 83.69000       48.21805 38.92611 10.90075 35.17527 11.83980 3.750839       16.09370 
1 1 1 0   29 46 o 32.84177 11.70099 71.69000       47.38993 0.000000       0.000000 71.69000       47.38993 ?        ?        32.84177 11.70099 ?              ?        
1 1 1 0   29 47 o 24.73362 9.242540 33.45551       30.09022 18.87000       40.04520 52.37000       45.60232 23.38248 9.960578 29.20387 11.26771 -5.821388      15.03909 
1 1 1 0   29 48 o 45.58079 7.532676 117.7103       32.43470 121.7000       43.28193 112.6000       48.98483 43.86357 10.26393 40.56274 11.69618 3.300835       15.56113 
1 1 1 0   29 49 o 18.74175 8.185718 4.361560       28.39814 -9.806000      37.34348 23.79000       43.73067 19.04580 8.752989 24.32342 10.38653 -5.277618      13.58289 
1 1 1 0   29 50 f 22.11077 8.825641 23.46754       28.80283 37.61000       37.82263 3.944000       44.43942 25.67736 10.15739 21.77569 9.827298 3.901672       14.13323 
1 1 1 0   29 51 o 16.92037 7.720891 -6.945666      28.37244 -8.987000      37.45736 -4.198000      43.45723 18.89838 8.714570 20.58337 9.453271 -1.684990      12.85722 
1 1 1 0   30 0  f 142.2498 5.084085 996.9098       70.67595 955.7000       99.42684 1039.000       100.4833 138.7750 7.345742 144.7734 7.112634 -5.998322      10.22494 
1 1 1 0   30 1  o 41.13222 5.484664 85.25906       21.53216 95.07652       31.66154 76.81151       29.36960 42.90913 7.826637 38.41932 8.067102 4.489811       11.23986 
1 1 1 0   30 2  o 147.5635 4.232630 1074.582       61.07262 1051.929       74.76709 1120.000       105.8695 145.6739 5.252112 149.4664 7.258073 -3.792572      8.959034 
1 1 1 0   30 3  f 135.1481 4.084716 901.0494       53.97335 893.1208       66.61545 916.2000       92.08549 134.2623 5.078064 135.2623 6.978773 -1.000046      8.630759 
1 1 1 0   30 4  o 144.2691 3.603661 1024.345       50.88893 1062.926       74.21376 990.1054       69.91417 146.4368 5.185781 141.3682 5.060675 5.068573       7.245879 
1 1 1 0   30 5  o 103.6265 3.823327 529.6339       38.71448 0.000000       0.000000 529.6339       38.71448 ?        ?        103.6265 3.823327 ?              ?        
1 1 1 0   30 6  o 134.9295 4.038490 898.3477       53.27742 0.000000       0.000000 898.3477       53.27742 ?        ?        134.9295 4.038490 ?              ?        
1 1 1 0   30 7  o 78.88657 3.524487 306.9167       27.14608 350.0000       59.44104 295.5631       30.51403 83.22487 7.372910 77.31609 4.046109 5.908783       8.410161 
1 1 1 0   30 8  o 98.62257 3.330781 479.0735       32.10739 530.6000       70.18961 465.4385       36.10648 102.7007 7.024507 97.11266 3.805789 5.588066       7.989226 
1 1 1 0   30 9  o 63.73162 3.742225 200.8202       23.24212 141.1000       51.74094 215.9169       26.01447 51.45974 10.62430 66.03687 4.043988 -14.57714      11.36792 
1 1 1 0   30 10 o 88.96428 3.969706 391.1897       34.48141 426.1000       64.53697 377.2427       40.79184 91.83994 7.237566 87.16290 4.799712 4.677048       8.684445 
1 1 1 0   30 11 o 47.95457 4.143767 114.3864       19.25989 143.9000       48.08569 108.7469       21.01960 52.19321 9.771331 46.64667 4.666164 5.546543       10.82830 
1 1 1 0   30 12 f 56.70223 4.030015 159.5422       22.22150 0.000000       0.000000 159.5422       22.22150 ?        ?        56.70223 4.030015 ?              ?        
1 1 1 0   30 13 o 108.6576 3.772560 583.2864       40.06298 613.1000       75.57558 571.6340       47.24787 110.1414 7.047076 107.3511 4.506470 2.790291       8.364779 
1 1 1 0   30 14 o 38.24246 4.423543 73.36275       16.25361 105.0000       46.08024 68.86733       17.37003 43.95402 10.79128 36.92645 4.928665 7.027573       11.86353 
1 1 1 0   30 15 o 71.81905 3.110109 254.4632       21.81177 285.4000       55.46635 248.8040       23.72302 74.61310 7.705377 70.95409 3.425876 3.659012       8.432643 
1 1 1 0   30 16 o 88.63280 3.036042 387.2553       26.30067 391.3000       62.68780 386.3912       28.97404 87.57930 7.381303 88.46425 3.352135 -0.8849487     8.106815 
1 1 1 0   30 17 o 51.41251 3.059561 130.6500       15.32729 150.7000       48.72325 128.4479       16.14705 53.09545 9.733621 50.94270 3.255243 2.152748       10.26353 
1 1 1 0   30 18 o 105.9101 5.145090 560.6637       53.17842 635.4000       76.03459 489.1000       74.40322 111.8030 6.982728 97.55030 7.858595 14.25273       10.51266 
1 1 1 0   30 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   30 20 o 51.12102 7.733959 136.4246       37.49155 132.9000       49.21184 141.3000       57.87830 49.23402 10.53037 50.11451 11.96489 -0.8804970     15.93886 
1 1 1 0   30 21 o 88.62707 7.444839 404.2000       63.98802 404.2000       63.98802 0.000000       0.000000 88.62707 7.444839 ?        ?        ?              ?        
1 1 1 0   30 22 o 79.52386 8.341052 330.5000       63.96183 0.000000       0.000000 330.5000       63.96183 ?        ?        79.52386 8.341052 ?              ?        
1 1 1 0   30 23 o 89.71390 5.324634 405.1458       46.54766 397.9000       63.26095 413.7000       68.73602 87.76768 7.433526 89.16718 7.958992 -1.399506      10.89049 
1 1 1 0   30 24 o 28.52337 9.792387 41.32906       33.00312 24.90000       43.34599 63.99000       50.90746 26.87768 10.79333 34.65715 12.14737 -7.779472      16.24976 
1 1 1 0   30 25 o 31.09958 9.802385 52.13971       33.32821 37.85000       43.90521 71.57000       51.19694 29.10187 11.09951 35.98512 12.19984 -6.883251      16.49349 
1 1 1 0   30 26 o 59.10308 6.700350 181.0557       38.07960 156.1000       50.48255 214.0000       58.00253 53.02636 10.09483 62.47861 9.807010 -9.452251      14.07420 
1 1 1 0   30 27 o 65.03913 6.368340 218.4236       40.02315 244.8000       54.44037 187.4000       59.04180 67.64268 8.402929 57.45131 10.89775 10.19138       13.76118 
1 1 1 0   30 28 o 39.38892 9.211518 86.76380       34.87759 44.00000       46.11832 143.9000       53.30783 29.96304 11.38824 49.70859 11.22270 -19.74555      15.98878 
1 1 1 0   30 29 o 66.22421 6.188309 227.4054       39.64943 219.5000       53.17989 237.3000       59.49568 63.30207 8.822028 65.23914 9.603972 -1.937069      13.04088 
1 1 1 0   30 30 o 27.49571 9.647654 40.07468       32.11716 42.34000       42.15386 36.94000       49.58717 28.89810 10.90956 28.82326 11.55469 0.7484055E-01  15.89117 
1 1 1 0   30 31 o 28.93834 9.652634 46.44223       32.05672 11.63000       41.78199 96.26000       49.98220 23.76657 10.15071 39.54794 11.92485 -15.78136      15.66011 
1 1 1 0   30 32 o 36.75933 11.44962 82.44000       45.60741 82.44000       45.60741 0.000000       0.000000 36.75933 11.44962 ?        ?        ?              ?        
1 1 1 0   30 33 o 28.23967 10.80866 40.68000       41.72995 40.68000       41.72995 0.000000       0.000000 28.23967 10.80866 ?        ?        ?              ?        
1 1 1 0   30 34 o 18.28350 8.267771 -9.371872      31.63849 -45.60000      41.49953 40.91000       48.89067 17.51818 8.402190 28.89925 11.51069 -11.38107      14.25106 
1 1 1 0   30 35 o 39.42787 12.38529 100.6000       53.24949 0.000000       0.000000 100.6000       53.24949 ?        ?        39.42787 12.38529 ?              ?        
1 1 1 0   30 36 o 46.51106 8.035315 120.5858       35.25937 110.0000       46.86043 134.4000       53.53134 42.00944 11.19439 46.00077 11.82445 -3.991333      16.28288 
1 1 1 0   30 37 o 32.49629 9.571096 62.79438       32.49448 74.27000       43.99508 49.02000       48.20058 34.40706 11.30177 29.69913 11.54986 4.707928       16.15950 
1 1 1 0   30 38 o 24.51414 9.380058 29.86291       31.42198 60.28000       43.09239 -4.672000      45.91673 31.37790 11.16011 22.00080 9.953331 9.377108       14.95382 
1 1 1 0   30 39 o 25.75670 9.422169 36.41512       30.97936 42.39000       42.23957 29.46000       45.57292 27.77440 10.80907 26.03316 10.82873 1.741243       15.30024 
1 1 1 0   30 40 o 18.70802 8.216332 1.459329       28.96486 -2.889000      37.89931 7.566000       44.91302 20.30743 9.127744 22.96123 10.15171 -2.653799      13.65184 
1 1 1 0   30 41 o 17.57660 7.925004 -6.080387      28.82368 -9.817000      37.95444 -0.9890000     44.30386 19.51073 8.913221 21.85669 9.842664 -2.345955      13.27869 
1 1 1 0   30 42 o 22.07928 8.874460 20.67461       29.33179 29.10000       39.14316 9.885000       44.29594 25.00625 10.17895 23.03885 10.13807 1.967405       14.36633 
1 1 1 0   30 43 o 40.09127 10.92192 104.1000       44.01490 104.1000       44.01490 0.000000       0.000000 40.09127 10.92192 ?        ?        ?              ?        
1 1 1 0   30 44 o 39.91668 8.493744 93.32442       32.16611 92.50000       43.49074 94.32000       47.79245 37.53268 11.07756 37.28895 11.73629 0.2437286      16.13855 
1 1 1 0   30 45 o 26.67010 9.511622 41.44310       31.32239 32.87000       42.70005 51.43000       46.08664 25.89152 10.59641 29.14602 11.30515 -3.254505      15.49484 
1 1 1 0   30 46 o 33.73766 9.159902 69.58089       31.02052 92.86000       41.24103 39.25000       47.07483 37.75771 10.68211 27.12243 11.11603 10.63527       15.41666 
1 1 1 0   30 47 f 20.58448 8.561370 14.67108       28.48196 -2.350000      37.03862 39.30000       44.55370 19.90725 8.979040 26.82473 10.88163 -6.917482      14.10791 
1 1 1 0   30 48 o 34.57761 8.931868 73.32950       30.44254 73.99000       40.48366 72.47000       46.18131 33.18278 10.83799 32.35654 11.54835 0.8262367      15.83750 
1 1 1 0   30 49 o 22.22942 8.796645 24.48703       28.37703 24.87000       37.14183 23.95000       43.98210 23.40376 9.758692 24.08483 10.35302 -0.6810703     14.22734 
1 1 1 0   30 50 o 20.87577 8.668169 17.63143       29.12837 32.46000       38.20996 -2.942000      45.00704 24.56283 10.03482 20.94390 9.619405 3.618935       13.90074 
1 1 1 0   31 1  o 155.8913 4.343621 1201.861       66.21504 1187.606       81.27424 1230.000       114.1901 154.5352 5.381243 156.1204 7.494330 -1.585236      9.226199 
1 1 1 0   31 2  o 37.62899 6.957408 73.13371       24.68206 106.8968       31.47336 19.20000       39.77886 45.58851 7.299294 25.81205 10.34853 19.77645       12.66379 
1 1 1 0   31 3  o 32.50908 6.573956 54.69083       20.19905 55.31291       29.59464 54.14831       27.63724 32.42989 9.004132 32.08778 8.617782 0.3421135      12.46357 
1 1 1 0   31 4  o 74.80280 4.007185 276.9594       29.23314 0.000000       0.000000 276.9594       29.23314 ?        ?        74.80280 4.007185 ?              ?        
1 1 1 0   31 5  o 88.55199 3.913827 387.6991       33.84013 0.000000       0.000000 387.6991       33.84013 ?        ?        88.55199 3.913827 ?              ?        
1 1 1 0   31 6  o 121.3337 3.428042 725.7786       40.67224 777.5000       85.84501 710.8079       46.18489 124.1314 7.094791 119.9351 3.939463 4.196327       8.115136 
1 1 1 0   31 7  o 80.25436 3.505374 318.0148       27.47011 252.0000       56.81752 338.1534       31.38166 69.89597 8.477808 82.67853 3.888620 -12.78256      9.327089 
1 1 1 0   31 8  f 53.32918 4.316275 141.5981       22.33860 131.1000       50.06259 144.2079       24.96137 49.29990 10.68346 53.71530 4.797953 -4.415405      11.71139 
1 1 1 0   31 9  o 63.10619 3.753485 197.2519       23.08056 193.0000       52.68560 198.2617       25.67544 60.69664 9.152175 63.17936 4.175206 -2.482719      10.05956 
1 1 1 0   31 10 o 41.54572 4.879162 86.85876       19.46392 120.8000       47.45362 79.99361       21.34177 47.23942 10.53146 39.65749 5.658183 7.581932       11.95519 
1 1 1 0   31 11 o 36.86625 6.755041 70.44057       23.47802 73.62000       45.97894 69.31918       27.30627 37.02786 11.49023 36.25678 7.916689 0.7710762      13.95347 
1 1 1 0   31 12 o 86.24310 3.274215 367.1183       27.58979 389.7000       62.32440 361.6146       30.76884 87.40799 7.352617 85.49700 3.685319 1.910988       8.224509 
1 1 1 0   31 13 o 120.0695 3.877449 713.5491       45.51086 783.7000       85.67125 685.9694       53.71727 124.2526 7.073282 117.4227 4.683038 6.829941       8.483051 
1 1 1 0   31 14 o 54.27472 3.615720 146.1262       19.09919 158.4000       49.07745 143.9356       20.73366 54.51126 9.545550 53.79151 3.965702 0.7197456      10.33655 
1 1 1 0   31 15 o 97.99052 3.113399 473.7571       29.82453 535.5000       69.52827 459.8344       33.01637 102.5777 6.966050 96.43491 3.503573 6.142746       7.797492 
1 1 1 0   31 16 o 70.98195 3.088821 248.8417       21.40948 303.8000       55.71851 239.3220       23.18971 76.83652 7.503951 69.53748 3.417452 7.299034       8.245499 
1 1 1 0   31 17 f 71.43060 3.167429 252.1678       22.09104 286.6000       55.22095 245.6074       24.10385 74.47454 7.685378 70.41570 3.508169 4.058838       8.448212 
1 1 1 0   31 18 o 60.77524 9.033256 196.1000       52.10573 196.1000       52.10573 0.000000       0.000000 60.77524 9.033256 ?        ?        ?              ?        
1 1 1 0   31 19 o 56.67333 6.836110 165.4018       37.15711 153.0000       49.85444 180.9000       55.73156 53.06563 9.963890 57.65291 10.25152 -4.587276      14.29590 
1 1 1 0   31 20 o 76.87142 8.672222 311.2000       64.11549 0.000000       0.000000 311.2000       64.11549 ?        ?        76.87142 8.672222 ?              ?        
1 1 1 0   31 21 o 79.84168 8.585067 336.1000       66.04046 0.000000       0.000000 336.1000       66.04046 ?        ?        79.84168 8.585067 ?              ?        
1 1 1 0   31 22 o 100.2710 7.212457 518.8000       70.31589 518.8000       70.31589 0.000000       0.000000 100.2710 7.212457 ?        ?        ?              ?        
1 1 1 0   31 23 o 54.20642 7.382129 153.9038       38.15183 174.3000       49.25075 123.3000       60.32896 56.79576 9.171510 45.67390 12.91912 11.12186       15.84362 
1 1 1 0   31 24 o 62.66609 6.411700 202.5578       38.77512 212.7000       51.59883 189.4000       58.77121 63.01064 8.589437 58.05043 10.73858 4.960209       13.75120 
1 1 1 0   31 25 o 24.02549 9.532987 21.21636       33.41052 -4.815000      43.61875 58.17000       51.97008 22.45993 9.963414 33.12531 12.18946 -10.66537      15.74333 
1 1 1 0   31 26 o 32.99510 9.959492 61.40021       34.85135 68.51000       45.97983 51.80000       53.42929 34.58710 11.56081 31.95879 12.23077 2.628309       16.82985 
1 1 1 0   31 27 o 85.64874 5.600611 375.6631       46.69535 331.6000       61.84318 434.1000       71.21938 78.53233 8.164227 89.91523 8.181560 -11.38290      11.55822 
1 1 1 0   31 28 o 42.90337 8.669720 102.5421       35.15434 95.00000       46.02868 113.1000       54.45947 39.75583 11.29789 42.69877 12.33865 -2.942940      16.72975 
1 1 1 0   31 29 o 34.33292 9.522598 67.83923       33.11984 69.86000       43.59212 65.08000       50.93826 34.33702 11.24830 33.46775 12.10566 0.8692665      16.52487 
1 1 1 0   31 30 o 49.65195 7.483563 133.3911       35.24171 131.6000       46.53401 135.8000       53.96648 47.37107 10.32773 46.98418 11.76258 0.3868980      15.65313 
1 1 1 0   31 31 o 45.43900 11.06643 125.0000       48.75591 125.0000       48.75591 0.000000       0.000000 45.43900 11.06643 ?        ?        ?              ?        
1 1 1 0   31 32 o 39.38375 9.123233 89.24745       34.47884 102.4000       46.41875 73.06000       51.49651 40.76849 11.26044 34.47593 12.20606 6.292553       16.60679 
1 1 1 0   31 33 o 38.17832 12.19794 93.27000       51.45860 0.000000       0.000000 93.27000       51.45860 ?        ?        38.17832 12.19794 ?              ?        
1 1 1 0   31 34 o 25.40772 9.873251 30.97629       35.20107 71.18000       49.73290 -9.386000      49.83089 33.78039 11.99178 22.50503 10.25495 11.27536       15.77868 
1 1 1 0   31 35 o 48.62981 7.738738 131.0036       35.60338 146.5000       47.85913 111.8000       53.27708 49.44689 10.22604 41.22303 12.28447 8.223862       15.98374 
1 1 1 0   31 36 f 41.92934 8.549142 100.7073       33.89606 82.29000       45.71339 123.2000       50.51853 35.88332 11.50021 43.88359 11.59059 -8.000271      16.32779 
1 1 1 0   31 37 o 23.98505 9.334678 27.61221       31.50309 36.38000       42.16192 16.53000       47.40108 26.82674 10.68793 24.62403 10.66693 2.202713       15.10018 
1 1 1 0   31 38 o 15.43274 7.277044 -23.42759      28.57389 -3.300000      37.28290 -52.08000      44.48303 20.13815 9.052304 17.47741 8.461090 2.660744       12.39089 
1 1 1 0   31 39 o 28.31347 9.357735 47.72740       30.14488 29.32000       39.16584 74.48000       47.21656 25.07567 10.19129 33.53745 11.70268 -8.461777      15.51822 
1 1 1 0   31 40 f 23.85342 9.126964 28.78899       29.74858 1.973000       38.36023 69.25000       47.11971 20.97559 9.322071 32.58717 11.66119 -11.61158      14.92931 
1 1 1 0   31 41 o 33.34528 9.230474 67.57922       31.15282 48.33000       40.82919 94.40000       48.19477 28.48309 10.74032 37.27098 11.79281 -8.787889      15.95070 
1 1 1 0   31 42 o 24.47435 10.08159 26.57000       38.97485 26.57000       38.97485 0.000000       0.000000 24.47435 10.08159 ?        ?        ?              ?        
1 1 1 0   31 43 o 41.81583 11.69499 118.0000       49.73005 0.000000       0.000000 118.0000       49.73005 ?        ?        41.81583 11.69499 ?              ?        
1 1 1 0   31 44 o 24.74520 9.284961 33.42822       30.43171 32.33000       40.45276 34.86000       46.18941 25.49404 10.35884 26.44234 10.94170 -0.9483013     15.06739 
1 1 1 0   31 45 o 28.32326 9.296460 48.77465       29.77001 28.99000       38.99665 76.41000       46.08882 24.70607 10.12060 33.49142 11.56903 -8.785353      15.37105 
1 1 1 0   31 46 o 24.09881 9.085943 31.66120       29.21759 50.10000       38.75579 7.383000       44.47116 28.38780 10.51206 22.41750 9.995388 5.970293       14.50556 
1 1 1 0   31 47 o 16.24443 7.494090 -11.87999      27.74434 -17.46000      36.07491 -3.801000      43.40767 17.88082 8.349644 20.86106 9.530846 -2.980244      12.67097 
1 1 1 0   31 48 o 16.39735 7.545445 -10.23829      27.87387 -37.52000      36.18960 29.55000       43.70444 16.02755 7.727777 24.75364 10.46936 -8.726091      13.01254 
1 1 1 0   32 0  o 42.37226 10.97066 94.63000       45.85482 94.63000       45.85482 0.000000       0.000000 42.37226 10.97066 ?        ?        ?              ?        
1 1 1 0   32 1  o 137.1068 3.559747 928.1555       47.73278 900.0703       67.34724 956.5044       67.66255 134.3819 5.129450 138.6004 4.995610 -4.218521      7.160124 
1 1 1 0   32 2  o 156.1411 3.739853 1204.018       57.15813 1205.628       81.75363 1202.479       79.94434 155.4113 5.382379 155.2719 5.267664 0.1394653      7.531155 
1 1 1 0   32 3  o 20.20868 7.764655 14.64259       21.59140 0.000000       0.000000 14.64259       21.59140 ?        ?        20.20868 7.764655 ?              ?        
1 1 1 0   32 4  o 42.43127 5.177422 90.91446       21.05856 136.0000       47.95323 80.14224       23.43969 50.30131 10.09073 39.51250 6.269674 10.78881       11.87988 
1 1 1 0   32 5  o 68.99474 3.742218 235.8081       25.17808 246.4000       55.62381 233.0787       28.23641 68.91670 8.420419 68.47830 4.233297 0.4384003      9.424662 
1 1 1 0   32 6  o 16.80097 7.046068 3.076358       19.53142 15.29000       44.09538 0.9527164E-01  21.78501 25.92725 10.70606 17.04832 7.306582 8.878933       12.96171 
1 1 1 0   32 7  o 39.70741 5.531767 80.17876       20.91726 114.1000       47.91434 72.19190       23.24973 45.64849 10.87843 37.34972 6.600888 8.298775       12.72446 
1 1 1 0   32 8  o 51.30562 4.380226 131.4537       21.78702 131.1000       49.43700 131.5390       24.27109 49.06760 10.60316 51.19413 4.903403 -2.126534      11.68206 
1 1 1 0   32 9  o 15.14468 6.556048 -1.538842      17.88099 4.944000       43.22172 -2.877498      19.64056 24.17663 10.32494 15.61973 6.815099 8.556909       12.37134 
1 1 1 0   32 10 o 42.38251 4.834367 90.49054       19.69725 142.3000       46.70603 79.28260       21.72357 51.54118 9.611377 39.38073 5.809908 12.16045       11.23092 
1 1 1 0   32 11 o 121.3924 3.364908 727.8676       39.94401 828.6000       87.90707 701.6579       44.84044 127.5776 7.067135 119.0150 3.854207 8.562622       8.049801 
1 1 1 0   32 12 o 40.73820 6.249738 85.39742       24.12696 104.4000       46.08693 78.22339       28.31738 43.45280 10.86518 38.47292 7.787108 4.979885       13.36754 
1 1 1 0   32 13 o 77.06890 3.306267 293.7255       24.88353 350.3000       58.86554 281.4167       27.45735 82.56986 7.360468 75.32588 3.735642 7.243980       8.254182 
1 1 1 0   32 14 o 35.97490 5.572377 66.33433       18.98813 143.5000       46.50577 50.89684       20.80095 51.60409 9.558903 31.05910 7.009079 20.54499       11.85326 
1 1 1 0   32 15 o 70.01334 3.197494 242.4462       21.85490 308.5000       55.20372 230.1692       23.79941 77.34866 7.380760 68.12236 3.581780 9.226295       8.203948 
1 1 1 0   32 16 o 100.6415 3.412001 501.1924       33.56327 591.7000       72.03294 476.0939       37.93255 107.6137 6.874389 97.89785 3.966733 9.715874       7.936762 
1 1 1 0   32 17 o 30.60198 4.321871 47.45351       12.58580 75.12000       43.14945 44.88087       13.15796 36.80309 11.07598 29.65716 4.688306 7.145931       12.02737 
1 1 1 0   32 18 o 49.94994 7.412688 130.5860       35.14466 116.2000       46.42351 149.9000       53.79037 45.63848 10.59606 51.79189 10.95324 -6.153412      15.23975 
1 1 1 0   32 19 o 69.40849 8.971067 257.0000       59.52434 0.000000       0.000000 257.0000       59.52434 ?        ?        69.40849 8.971067 ?              ?        
1 1 1 0   32 20 o 43.82322 8.469192 103.3904       35.01420 104.7000       45.55502 101.5000       54.73420 43.04344 10.82462 41.78777 12.45098 1.255669       16.49846 
1 1 1 0   32 21 o 28.06561 9.764274 40.07455       32.85714 68.64000       42.31144 -3.320000      52.15006 35.01719 11.04572 24.71136 10.93163 10.30583       15.54054 
1 1 1 0   32 22 o 26.83006 9.736519 34.99754       32.98658 39.81000       42.76727 27.93000       51.82766 29.04453 10.98332 28.43065 11.65923 0.6138821      16.01784 
1 1 1 0   32 23 o 77.39643 8.803734 323.3000       65.51112 0.000000       0.000000 323.3000       65.51112 ?        ?        77.39643 8.803734 ?              ?        
1 1 1 0   32 24 o 47.94574 10.77068 133.0000       49.31007 133.0000       49.31007 0.000000       0.000000 47.94574 10.77068 ?        ?        ?              ?        
1 1 1 0   32 25 o 61.49744 6.738263 198.5508       39.89791 138.1000       51.75485 287.1000       62.63862 48.38436 11.15612 72.23850 9.057193 -23.85415      14.36982 
1 1 1 0   32 26 o 76.84381 5.808896 304.8261       43.36910 374.5000       59.98192 228.5000       62.78006 83.92551 7.376612 62.87608 10.57570 21.04943       12.89418 
1 1 1 0   32 27 o 61.70122 6.445457 199.7928       38.35374 180.8000       50.01678 226.9000       59.75358 56.67221 9.341735 63.01044 10.02366 -6.338223      13.70189 
1 1 1 0   32 28 f 35.02097 9.480896 71.02522       33.28979 43.77000       42.89523 112.3000       52.78695 28.98628 10.99097 42.31787 12.12276 -13.33159      16.36346 
1 1 1 0   32 29 o 64.18506 6.269337 216.2795       38.88621 181.8000       50.48022 266.6000       60.98357 56.47401 9.466722 68.71135 9.306319 -12.23734      13.27503 
1 1 1 0   32 30 o 50.73593 10.13818 151.2000       48.58573 151.2000       48.58573 0.000000       0.000000 50.73593 10.13818 ?        ?        ?              ?        
1 1 1 0   32 31 o 69.46526 5.951322 252.2392       40.07620 291.2000       55.50287 209.8000       57.92747 72.97625 7.895723 59.77288 10.27092 13.20337       12.95509 
1 1 1 0   32 32 o 37.74837 11.88336 91.15000       48.99525 0.000000       0.000000 91.15000       48.99525 ?        ?        37.74837 11.88336 ?              ?        
1 1 1 0   32 33 o 28.22503 9.685305 45.49174       32.28419 26.54000       44.81360 65.94000       46.54935 25.89136 10.75128 32.71000 11.60263 -6.818642      15.81806 
1 1 1 0   32 34 f 46.46973 7.917877 120.8009       34.72515 102.8000       47.22028 142.0000       51.24362 40.05951 11.46255 47.63407 11.18304 -7.574554      16.01407 
1 1 1 0   32 35 o 18.23421 8.229884 -6.863842      31.17570 -50.71000      41.85446 47.78000       46.72470 16.99613 8.223091 29.13392 11.35984 -12.13779      14.02374 
1 1 1 0   32 36 o 18.80276 8.329004 -0.5177179     30.37336 20.29000       40.16511 -28.31000      46.41932 23.88957 10.06666 19.71066 9.288362 4.178905       13.69713 
1 1 1 0   32 37 o 32.69579 9.200629 64.48253       30.67954 50.64000       39.53384 85.44000       48.64417 29.03598 10.64030 35.62489 11.89071 -6.588907      15.95635 
1 1 1 0   32 38 o 46.48593 7.313934 120.4447       32.18147 90.47000       41.05722 168.2000       51.82301 37.56427 10.66874 51.92898 10.55563 -14.36471      15.00811 
1 1 1 0   32 39 o 20.48739 8.553104 13.05458       28.58311 4.372000       36.32054 27.18000       46.32641 20.80912 9.167638 25.57746 10.79635 -4.768339      14.16357 
1 1 1 0   32 40 o 25.93279 10.30611 35.11000       39.10863 35.11000       39.10863 0.000000       0.000000 25.93279 10.30611 ?        ?        ?              ?        
1 1 1 0   32 41 f 35.47278 9.045827 76.10478       31.50162 82.82000       41.27881 66.74000       48.74677 35.56463 10.86060 31.75491 11.78375 3.809715       16.02528 
1 1 1 0   32 42 o 34.01909 11.92588 79.45000       49.06934 0.000000       0.000000 79.45000       49.06934 ?        ?        34.01909 11.92588 ?              ?        
1 1 1 0   32 43 o 29.12795 9.358526 52.01337       30.25885 20.44000       38.94578 100.1000       48.06313 23.35958 9.881517 38.07020 11.73659 -14.71062      15.34249 
1 1 1 0   32 44 o 27.39001 9.329172 45.21362       29.94186 32.31000       38.87561 64.03000       46.94502 25.21057 10.18711 31.05956 11.55665 -5.848991      15.40563 
1 1 1 0   32 45 o 38.89692 8.400555 89.92585       31.04691 77.01000       41.04417 107.2000       47.46663 33.82454 10.90249 39.31759 11.56452 -5.493046      15.89347 
1 1 1 0   32 46 o 34.13091 9.027539 72.31741       30.61848 75.51000       40.66906 68.14000       46.52061 33.29644 10.86198 31.30831 11.53065 1.988129       15.84104 
1 1 1 0   32 47 o 21.50732 8.754272 20.99074       28.95113 20.44000       37.92405 21.76000       44.82093 22.68890 9.680022 23.73676 10.32681 -1.047853      14.15436 
1 1 1 0   33 1  o 140.2524 4.174814 976.0847       57.24926 1011.698       71.64919 913.2000       95.20883 142.2829 5.153121 133.7846 7.298147 8.498245       8.934070 
1 1 1 0   33 2  o 25.02345 8.043429 31.68804       22.35042 0.000000       0.000000 31.68804       22.35042 ?        ?        25.02345 8.043429 ?              ?        
1 1 1 0   33 3  o 182.1855 4.093085 1645.073       72.99125 1724.000       150.7632 1620.909       83.41975 182.6355 8.456379 180.4062 4.728090 2.229279       9.688404 
1 1 1 0   33 4  o 117.1221 3.439062 678.0010       39.38352 659.2000       79.78407 684.0580       45.28539 113.6163 7.211345 117.4636 3.944253 -3.847343      8.219527 
1 1 1 0   33 5  o 61.72488 4.041418 189.5936       24.28314 168.2000       51.27914 195.7779       27.57042 55.98119 9.710048 62.59689 4.530363 -6.615700      10.71491 
1 1 1 0   33 6  o 82.09119 3.507144 333.5773       28.11605 394.4000       61.45738 317.4778       31.61894 87.73756 7.220029 79.92977 4.054652 7.807785       8.280641 
1 1 1 0   33 7  o 19.73338 7.425329 15.33863       19.49210 3.734000       44.28485 18.12706       21.70798 24.15795 10.38658 21.04635 7.853203 3.111595       13.02128 
1 1 1 0   33 8  o 43.01003 4.955769 93.46077       20.48251 99.15000       48.18988 92.20635       22.62822 42.10295 11.41077 42.54514 5.567107 -0.4421883     12.69639 
1 1 1 0   33 9  o 112.8115 3.342514 629.0888       36.86835 740.7000       81.64071 600.4962       41.32185 120.4814 6.952305 110.0401 3.842283 10.44126       7.943405 
1 1 1 0   33 10 o 35.79950 5.730160 65.91020       19.40243 116.3000       45.39046 54.64460       21.46201 45.95392 10.34159 32.18299 7.011734 13.77092       12.49452 
1 1 1 0   33 11 o 177.1548 4.001085 1556.905       69.38042 1798.000       152.5970 1494.078       77.89751 186.0047 8.403089 173.1111 4.601268 12.89355       9.580374 
1 1 1 0   33 12 o 57.58771 4.850010 166.6967       27.08490 177.0000       50.68764 162.5791       32.04313 57.44235 9.335177 56.52205 5.877496 0.9203033      11.03134 
1 1 1 0   33 13 o 139.8597 3.503348 968.2687       47.92257 1145.000       108.1040 925.0439       53.46275 149.2154 7.424862 136.4628 4.006835 12.75261       8.437020 
1 1 1 0   33 14 o 91.24908 3.740408 413.3757       33.33743 500.2000       66.74875 384.5196       38.48057 98.72840 6.951521 87.72313 4.496479 11.00527       8.279007 
1 1 1 0   33 15 o 16.70294 6.333848 10.54107       14.24592 66.58000       43.18026 3.696472       15.09087 34.78789 11.17978 15.07535 6.247608 19.71255       12.80703 
1 1 1 0   33 16 o 85.84396 3.095907 364.4848       25.97120 411.4000       61.50476 354.3043       28.65082 89.27964 7.096359 84.52115 3.470485 4.758492       7.899530 
1 1 1 0   33 17 o 53.88116 3.261163 144.1058       17.11897 150.3000       49.53540 143.2656       18.24300 52.16917 10.06521 53.66843 3.491688 -1.499252      10.65365 
1 1 1 0   33 18 o 52.19191 11.38556 155.7000       56.52495 0.000000       0.000000 155.7000       56.52495 ?        ?        52.19191 11.38556 ?              ?        
1 1 1 0   33 19 o 20.68485 8.845230 4.122725       31.79531 37.96000       40.04062 -53.63000      52.31056 28.36335 10.64878 20.15017 9.601151 8.213182       14.33801 
1 1 1 0   33 20 o 45.80003 8.194127 113.3624       35.38582 104.9000       44.98316 127.1000       57.31383 42.68577 10.76861 46.04476 12.42935 -3.358990      16.44541 
1 1 1 0   33 21 o 78.01327 5.712370 311.5495       43.31816 328.1000       57.42687 289.7000       65.98264 78.82227 7.534808 72.49479 9.529081 6.327484       12.14812 
1 1 1 0   33 22 o 44.15803 8.556571 107.3845       35.64834 84.67000       46.76242 138.9000       55.08173 37.75829 11.56507 48.18398 11.77929 -10.42569      16.50765 
1 1 1 0   33 23 o 32.47714 9.817081 60.27379       33.84470 41.23000       43.94422 88.04000       53.06197 28.91106 11.08517 37.93003 12.40918 -9.018963      16.63937 
1 1 1 0   33 24 o 43.55606 8.527222 105.5452       35.05309 132.9000       46.19602 68.42000       53.81728 47.87352 10.17237 34.13968 12.42949 13.73384       16.06143 
1 1 1 0   33 25 o 68.44675 9.432508 263.7000       61.51705 0.000000       0.000000 263.7000       61.51705 ?        ?        68.44675 9.432508 ?              ?        
1 1 1 0   33 26 o 118.3501 7.395776 748.3000       85.24764 748.3000       85.24764 0.000000       0.000000 118.3501 7.395776 ?        ?        ?              ?        
1 1 1 0   33 27 o 72.56403 5.921247 274.2548       41.69193 275.3000       55.49079 272.9000       63.17669 70.86408 8.148079 69.19928 9.584144 1.664803       12.57963 
1 1 1 0   33 28 o 60.66613 8.922883 207.4000       51.40405 207.4000       51.40405 0.000000       0.000000 60.66613 8.922883 ?        ?        ?              ?        
1 1 1 0   33 29 o 87.92850 7.497268 418.0000       63.91170 418.0000       63.91170 0.000000       0.000000 87.92850 7.497268 ?        ?        ?              ?        
1 1 1 0   33 30 o 52.66187 7.138888 150.2527       35.85200 114.8000       47.34724 197.9000       54.88949 42.98495 11.15709 58.05477 10.02138 -15.06981      14.99696 
1 1 1 0   33 31 f 22.65841 10.16140 -1.165000      46.67536 0.000000       0.000000 -1.165000      46.67536 ?        ?        22.65841 10.16140 ?              ?        
1 1 1 0   33 32 o 76.87941 5.676491 309.1498       42.41528 363.6000       59.12122 251.4000       60.88625 81.52541 7.492464 65.34924 9.822154 16.17616       12.35361 
1 1 1 0   33 33 o 22.36904 9.143044 18.74259       31.73955 -6.289000      43.38725 47.56000       46.55276 21.28736 9.648449 29.13868 11.34540 -7.851322      14.89331 
1 1 1 0   33 34 o 23.72345 9.292561 26.74170       31.38344 55.08000       42.23801 -8.185000      46.89164 30.09887 11.00325 21.67406 9.903672 8.424807       14.80386 
1 1 1 0   33 35 o 24.07021 9.165354 29.72679       29.90576 6.733000       38.76024 63.55000       47.00983 21.66757 9.510743 31.52585 11.59448 -9.858284      14.99621 
1 1 1 0   33 36 o 37.76789 8.677886 84.30572       31.40591 88.00000       41.03181 79.08000       48.80101 36.93907 10.72071 34.19355 11.89958 2.745525       16.01666 
1 1 1 0   33 37 o 23.21119 8.944465 26.69266       28.71035 38.22000       36.40881 7.739000       46.68620 26.34497 10.09290 23.15994 10.28897 3.185032       14.41283 
1 1 1 0   33 38 o 30.65534 9.214084 57.21098       29.87567 46.52000       38.86153 72.66000       46.71558 27.98276 10.49398 32.94812 11.62927 -4.965353      15.66408 
1 1 1 0   33 39 o 31.99325 10.83596 66.34000       40.38900 66.34000       40.38900 0.000000       0.000000 31.99325 10.83596 ?        ?        ?              ?        
1 1 1 0   33 40 o 22.68321 8.961911 24.27062       29.41026 7.237000       38.32827 48.66000       45.86338 21.46403 9.438292 28.56251 11.21997 -7.098478      14.66183 
1 1 1 0   33 41 o 36.31219 11.79180 91.07000       47.95881 0.000000       0.000000 91.07000       47.95881 ?        ?        36.31219 11.79180 ?              ?        
1 1 1 0   33 42 o 27.88194 9.339512 47.32314       30.00609 60.67000       39.24468 28.54000       46.55595 30.60350 10.66975 25.40312 10.77748 5.200375       15.16567 
1 1 1 0   33 43 o 26.60440 9.192120 42.21764       29.09661 27.16000       37.63200 64.60000       45.88090 24.16070 9.924518 31.10695 11.45202 -6.946251      15.15404 
1 1 1 0   33 44 o 17.74805 7.939654 -1.779499      28.30593 -6.499000      36.40353 5.437000       45.01516 19.13602 8.737149 22.14385 9.950933 -3.007833      13.24231 
1 1 1 0   33 45 o 25.04122 9.130640 37.02227       29.05694 25.19000       37.39591 55.05000       46.15947 23.46862 9.789358 28.86842 11.28093 -5.399801      14.93623 
1 1 1 0   33 46 o 28.89349 9.284722 53.36651       29.78262 6.596000       38.30080 124.9000       47.36707 20.81531 9.278863 42.23098 11.25534 -21.41568      14.58698 
1 1 1 0   34 0  o 56.69600 8.379669 165.2000       45.10424 0.000000       0.000000 165.2000       45.10424 ?        ?        56.69600 8.379669 ?              ?        
1 1 1 0   34 1  o 90.02206 3.980949 402.7858       34.99181 0.000000       0.000000 402.7858       34.99181 ?        ?        90.02206 3.980949 ?              ?        
1 1 1 0   34 2  o 76.83595 4.248034 294.2860       31.82476 300.7000       55.67276 291.1727       38.78680 76.20845 7.563021 76.06871 5.241246 0.1397400      9.201628 
1 1 1 0   34 3  o 73.98837 3.694811 271.7314       26.67384 209.1000       52.86254 293.1251       30.89539 62.78748 8.846297 76.72065 4.129319 -13.93317      9.762594 
1 1 1 0   34 4  o 44.41271 5.156745 99.98529       22.00133 86.57000       45.54278 104.0692       25.12801 39.31698 11.25935 45.11398 5.826283 -5.797005      12.67748 
1 1 1 0   34 5  o 56.65664 4.188951 160.3349       23.06639 164.2000       48.80973 159.2235       26.17347 55.25334 9.358594 56.28364 4.796526 -1.030304      10.51618 
1 1 1 0   34 6  o 30.21726 6.877961 48.26160       19.88484 -14.00000      42.66362 65.54055       22.47534 21.46536 9.663260 35.36642 6.738418 -13.90105      11.78070 
1 1 1 0   34 7  o 47.65111 4.582238 114.1827       21.10940 147.7000       46.72039 105.5852       23.66241 52.24895 9.484505 45.56383 5.411124 6.685123       10.91953 
1 1 1 0   34 8  o 40.48246 5.163335 83.35697       19.99488 64.58000       43.54280 88.37437       22.50832 34.46142 11.23901 41.54144 5.684421 -7.080017      12.59476 
1 1 1 0   34 9  o 103.8979 3.281187 534.0896       33.32721 592.1000       71.66603 518.0828       37.64543 107.4944 6.846753 102.1501 3.771497 5.344299       7.816790 
1 1 1 0   34 10 o 59.70694 3.756571 177.4758       21.84318 185.9000       50.39423 175.5269       24.23843 58.87583 9.032440 59.25015 4.206708 -0.3743172     9.964004 
1 1 1 0   34 11 o 66.14578 3.573671 217.3957       23.05193 316.8000       56.39019 197.4510       25.25887 78.06762 7.470517 62.87018 4.127352 15.19744       8.534850 
1 1 1 0   34 12 o 23.63130 6.766164 29.31965       16.44811 57.48000       43.78951 24.69390       17.74769 32.82063 11.27924 22.11747 7.172577 10.70316       13.36664 
1 1 1 0   34 13 o 39.68851 7.169109 83.19582       26.82599 121.8000       46.22342 63.59000       32.94104 46.65287 10.38901 33.95992 9.525676 12.69295       14.09503 
1 1 1 0   34 14 o 57.89402 3.791230 167.1712       21.36604 180.0000       49.41159 164.2209       23.69588 57.72254 9.042003 57.23846 4.259942 0.4840736      9.995245 
1 1 1 0   34 15 o 46.07526 4.534977 107.1888       20.18784 111.9000       45.45726 106.0313       22.53171 44.38758 10.60747 45.62931 5.133778 -1.241726      11.78449 
1 1 1 0   34 16 o 29.14705 11.69381 34.24000       50.83075 0.000000       0.000000 34.24000       50.83075 ?        ?        29.14705 11.69381 ?              ?        
1 1 1 0   34 17 o 31.71768 4.592370 51.44222       13.84315 0.000000       0.000000 51.44222       13.84315 ?        ?        31.71768 4.592370 ?              ?        
1 1 1 0   34 18 f 67.76129 6.272923 237.6443       41.13396 234.0000       53.12457 243.1000       65.00027 65.84293 8.436494 65.56099 10.48181 0.2819366      13.45522 
1 1 1 0   34 19 o 25.66778 9.750825 30.21105       33.79943 15.42000       42.32406 56.25000       56.15644 24.63104 10.35372 32.68411 12.53133 -8.053064      16.25527 
1 1 1 0   34 20 o 30.38212 9.850391 51.72935       33.47446 35.40000       42.14961 79.62000       55.08565 27.69469 10.79202 36.35993 12.64325 -8.665241      16.62286 
1 1 1 0   34 21 o 24.09847 9.446377 24.42513       32.45099 -23.82000      40.87266 106.7000       53.37524 19.37071 8.991977 41.36753 12.28800 -21.99682      15.22664 
1 1 1 0   34 22 o 34.43541 9.325348 68.15776       32.20028 83.33000       41.44093 45.04000       51.15375 37.35088 10.75419 30.03830 11.83429 7.312580       15.99071 
1 1 1 0   34 23 o 53.62291 6.833922 153.0411       35.05571 161.8000       46.07418 141.0000       54.02132 53.58807 9.109545 47.97475 11.62685 5.613323       14.77049 
1 1 1 0   34 24 o 70.67545 5.765481 259.3326       39.53883 255.7000       51.59761 264.5000       61.53974 68.57533 7.826964 68.26250 9.464455 0.3128281      12.28158 
1 1 1 0   34 25 o 45.83718 7.948340 116.0917       34.36957 112.6000       43.78039 121.7000       55.48499 43.39908 10.43493 43.52061 12.41631 -0.1215286     16.21889 
1 1 1 0   34 26 o 59.44910 6.451618 187.3400       36.94105 173.4000       49.17284 205.4000       55.96967 54.86030 9.501139 59.34280 9.990083 -4.482502      13.78671 
1 1 1 0   34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   34 28 o 27.13154 10.92921 34.45000       44.59254 34.45000       44.59254 0.000000       0.000000 27.13154 10.92921 ?        ?        ?              ?        
1 1 1 0   34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   34 30 o 54.74969 10.85732 184.2000       56.12922 0.000000       0.000000 184.2000       56.12922 ?        ?        54.74969 10.85732 ?              ?        
1 1 1 0   34 31 o 32.64197 9.615385 64.13683       32.79393 69.05000       43.92591 57.95000       49.29173 33.07300 11.29888 30.98806 11.77454 2.084938       16.31884 
1 1 1 0   34 32 o 25.34213 9.488229 34.30792       31.74247 17.87000       42.13506 55.88000       48.26877 23.88713 10.19762 30.37717 11.62521 -6.490040      15.46405 
1 1 1 0   34 33 o 42.04212 8.293578 102.1311       32.91683 111.8000       43.74462 89.51000       49.97861 41.97435 10.63595 36.21690 12.05184 5.757450       16.07390 
1 1 1 0   34 34 o 29.24632 9.302983 51.63486       29.95803 6.949000       38.21307 122.9000       48.25757 21.50700 9.441722 43.31174 11.27481 -21.80474      14.70603 
1 1 1 0   34 35 o 22.67567 8.851040 24.61529       28.38980 25.34000       35.92484 23.41000       46.32967 23.87067 9.738433 24.96919 10.67724 -1.098520      14.45132 
1 1 1 0   34 36 o 25.04313 9.176393 34.77617       29.40301 17.39000       37.91437 61.01000       46.57283 22.89609 9.720382 30.84606 11.50419 -7.949968      15.06095 
1 1 1 0   34 37 f 25.10895 9.245131 35.23088       29.90326 -12.31000      38.67505 105.9000       47.15330 19.23909 8.865707 39.62322 11.49053 -20.38413      14.51321 
1 1 1 0   34 38 o 20.10408 9.047906 -1.717000      37.37341 -1.717000      37.37341 0.000000       0.000000 20.10408 9.047906 ?        ?        ?              ?        
1 1 1 0   34 39 f 32.59177 9.180011 65.18701       30.52722 48.77000       39.70921 88.91000       47.73412 28.28949 10.60806 35.83735 11.77227 -7.547855      15.84668 
1 1 1 0   34 40 o 30.33665 11.62393 60.04000       48.29766 0.000000       0.000000 60.04000       48.29766 ?        ?        30.33665 11.62393 ?              ?        
1 1 1 0   34 41 o 21.89874 8.817977 21.37755       29.01642 46.56000       37.52322 -16.08000      45.76366 27.64060 10.32270 20.24331 9.436717 7.397289       13.98606 
1 1 1 0   34 42 o 28.52327 9.236447 50.17316       29.43706 38.28000       37.64131 68.90000       47.23331 25.99335 10.17835 31.66910 11.62623 -5.675745      15.45212 
1 1 1 0   34 43 o 26.42526 9.183238 42.44212       29.05897 67.08000       37.89023 7.254000       45.28179 31.72065 10.49156 22.30125 10.00432 9.419395       14.49687 
1 1 1 0   34 44 o 22.42469 8.811762 25.88632       28.29628 -8.326000      35.77547 83.05000       46.24387 18.61155 8.558481 33.81758 11.59206 -15.20603      14.40915 
1 1 1 0   34 45 o 18.21520 8.054045 2.872916       28.27543 -13.63000      36.06466 29.20000       45.55153 18.04050 8.398915 24.66397 10.56786 -6.623465      13.49894 
1 1 1 0   35 1  o 96.40703 3.887611 462.3635       36.61054 502.6000       66.15145 444.5980       43.95592 98.85342 6.879550 94.14171 4.785820 4.711708       8.380469 
1 1 1 0   35 2  o 42.98935 5.342251 94.28361       21.99619 42.48000       42.39833 113.3615       25.72966 29.74258 10.99838 47.06982 5.700530 -17.32724      12.38791 
1 1 1 0   35 3  o 133.3982 4.167905 886.7225       54.35516 989.0000       98.35525 841.7507       65.21945 138.3984 7.286061 129.3543 5.161344 9.044098       8.928950 
1 1 1 0   35 4  o 66.01295 3.885567 217.1905       24.99568 191.3000       51.02893 225.3636       28.67081 59.64533 9.022033 67.08219 4.390561 -7.436863      10.03365 
1 1 1 0   35 5  o 16.38696 6.917265 2.696838       19.01825 1.126000       40.59535 3.138545       21.52671 22.65775 9.842974 17.39558 7.351996 5.262171       12.28560 
1 1 1 0   35 6  o 41.66037 5.140229 88.41807       20.51695 69.49000       43.69883 93.77038       23.23739 35.28518 11.23706 42.73595 5.696812 -7.450775      12.59862 
1 1 1 0   35 7  o 52.91846 4.228403 140.4014       21.72023 174.7000       46.87999 131.0263       24.50958 57.09747 8.659465 50.87255 4.986018 6.224926       9.992332 
1 1 1 0   35 8  o 24.55254 7.202818 31.77808       18.43404 -0.3543000     41.11160 39.86415       20.62347 22.55015 9.849064 27.29968 7.492099 -4.749533      12.37480 
1 1 1 0   35 9  o 72.33273 3.509015 259.9919       24.77015 292.7000       54.63472 251.5292       27.79045 74.78409 7.567729 70.97678 4.016512 3.807304       8.567549 
1 1 1 0   35 10 o 73.38541 3.465332 267.6129       24.82175 419.4000       59.62075 235.7877       27.30020 90.08717 6.811743 68.67099 4.079889 21.41618       7.940109 
1 1 1 0   35 11 o 50.38541 4.163453 127.5065       20.35047 102.6000       46.81630 133.3091       22.59703 42.10732 11.17479 51.40545 4.537463 -9.298134      12.06087 
1 1 1 0   35 12 o 66.42308 3.850927 220.4094       24.93012 289.8000       53.72095 201.3640       28.14418 74.22325 7.496960 63.21145 4.579751 11.01180       8.785131 
1 1 1 0   35 13 o 73.88377 4.233339 273.8346       30.48713 296.0000       56.19305 264.5886       36.29299 74.73253 7.796395 72.19196 5.170264 2.540565       9.354966 
1 1 1 0   35 14 o 68.76627 5.916267 243.2491       39.43583 334.7000       56.79321 158.1000       54.80148 79.72778 7.360525 52.22767 11.06432 27.50010       13.28896 
1 1 1 0   35 15 o 19.00612 7.031240 15.66535       17.33159 0.000000       0.000000 15.66535       17.33159 ?        ?        19.00612 7.031240 ?              ?        
1 1 1 0   35 16 o 60.86056 3.295134 184.5124       19.55656 261.7000       53.26594 172.4866       21.02490 69.81935 7.934712 58.71138 3.676982 11.10798       8.745275 
1 1 1 0   35 17 o 47.07626 3.403369 110.8357       15.57670 198.1000       48.78841 100.9309       16.43694 60.11066 8.531348 44.79811 3.783829 15.31255       9.332806 
1 1 1 0   35 18 o 30.98028 9.718599 54.78591       32.79859 67.30000       42.69147 36.76000       51.23774 33.76107 11.13520 28.83312 11.67920 4.927950       16.13680 
1 1 1 0   35 19 o 32.22413 9.523099 59.80145       32.12428 67.77000       41.66451 48.12000       50.44583 33.80030 10.99188 30.41715 11.81952 3.383150       16.14071 
1 1 1 0   35 20 o 28.77764 9.491479 46.46239       31.01797 85.15000       40.30235 -9.750000      48.58033 37.75821 10.51652 22.49784 10.20205 15.26037       14.65193 
1 1 1 0   35 21 o 31.08442 9.350454 55.67258       30.75760 16.54000       38.47111 125.0000       51.20566 23.65244 9.902106 44.96531 11.56809 -21.31287      15.22736 
1 1 1 0   35 22 o 18.60058 8.222047 -2.267369      29.44665 -4.539000      36.78719 1.784000       49.12795 20.26550 9.059613 23.69532 10.53908 -3.429823      13.89780 
1 1 1 0   35 23 o 29.82301 9.497250 51.29143       31.21496 64.42000       39.13113 28.32000       51.76160 32.79074 10.65165 27.30197 11.46160 5.488764       15.64691 
1 1 1 0   35 24 f 62.51803 6.162062 205.8419       37.21866 211.3000       49.90262 199.0000       55.87204 61.47149 8.522575 58.15574 10.18612 3.315754       13.28124 
1 1 1 0   35 25 o 20.72606 8.805601 8.995110       31.15318 3.239000       42.18499 15.90000       46.20317 22.35264 9.862535 24.71366 10.61709 -2.361017      14.49111 
1 1 1 0   35 26 o 40.10448 11.58082 102.7000       47.99088 102.7000       47.99088 0.000000       0.000000 40.10448 11.58082 ?        ?        ?              ?        
1 1 1 0   35 27 o 41.72216 8.774060 100.5054       34.69400 140.6000       48.30627 57.79000       49.86006 47.99348 10.56921 31.14363 11.84021 16.84985       15.87132 
1 1 1 0   35 28 o 37.70420 12.19216 94.71000       51.30255 0.000000       0.000000 94.71000       51.30255 ?        ?        37.70420 12.19216 ?              ?        
1 1 1 0   35 29 o 40.57686 12.08529 109.6000       51.57449 0.000000       0.000000 109.6000       51.57449 ?        ?        40.57686 12.08529 ?              ?        
1 1 1 0   35 30 o 33.21057 9.479225 66.87821       32.33244 45.52000       41.32188 100.6000       51.92218 28.22429 10.76724 38.42297 12.25023 -10.19867      16.30955 
1 1 1 0   35 31 o 26.64759 10.15277 39.59000       36.71020 39.59000       36.71020 0.000000       0.000000 26.64759 10.15277 ?        ?        ?              ?        
1 1 1 0   35 32 o 28.35079 8.963894 47.90003       27.85028 19.09000       34.25283 104.1000       47.84016 22.57839 9.389534 39.34115 11.62009 -16.76276      14.93954 
1 1 1 0   35 33 o 23.65844 8.998720 29.07614       28.80857 10.64000       36.16250 61.10000       47.66069 21.54795 9.325710 30.77358 11.60410 -9.225626      14.88704 
1 1 1 0   35 34 o 42.27122 7.833494 102.1102       31.21878 95.59000       40.29543 111.9000       49.37564 38.71822 10.40902 40.59872 11.75368 -1.880501      15.70021 
1 1 1 0   35 35 o 33.66224 9.035037 68.98432       30.38981 57.59000       39.44748 85.62000       47.66454 30.08443 10.67998 35.22748 11.77062 -5.143051      15.89369 
1 1 1 0   35 36 o 24.49891 9.256229 32.61518       30.35928 66.57000       39.28338 -17.74000      47.83880 31.97746 10.68579 20.61226 9.621828 11.36519       14.37935 
1 1 1 0   35 37 o 40.12394 8.527620 95.29974       32.45843 89.62000       41.54366 104.2000       52.00467 36.85099 10.81357 38.22849 12.26749 -1.377495      16.35312 
1 1 1 0   35 38 o 27.18944 11.17438 40.26000       47.73903 0.000000       0.000000 40.26000       47.73903 ?        ?        27.18944 11.17438 ?              ?        
1 1 1 0   35 39 o 19.68502 8.447948 9.049486       29.19533 54.36000       37.65636 -59.23000      46.22575 29.20776 10.42772 17.13322 8.368642 12.07454       13.37054 
1 1 1 0   35 40 o 18.90150 8.230798 5.221758       28.52826 -13.85000      36.00944 37.37000       46.75194 18.28941 8.472731 26.52301 10.99461 -8.233597      13.88051 
1 1 1 0   35 41 o 30.83090 9.233333 59.65425       30.04119 58.68000       38.70743 61.13000       47.63915 29.86247 10.58147 30.06222 11.53793 -0.1997509     15.65539 
1 1 1 0   35 42 o 15.75124 7.335154 -14.81589      27.53768 -42.06000      34.60174 32.25000       45.47940 15.26160 7.405821 25.31004 10.69103 -10.04844      13.00555 
1 1 1 0   35 43 o 15.11689 7.119272 -18.86374      27.19589 -22.12000      34.41631 -13.45000      44.37649 16.80263 7.942154 19.78614 9.246345 -2.983515      12.18904 
1 1 1 0   35 44 o 21.38047 8.696309 21.59271       28.54437 25.05000       36.17658 15.89000       46.46225 22.93626 9.602275 22.94038 10.22337 -0.4114151E-02 14.02573 
1 1 1 0   36 0  o 133.9172 5.161639 892.4865       67.53306 0.000000       0.000000 892.4865       67.53306 ?        ?        133.9172 5.161639 ?              ?        
1 1 1 0   36 1  o 18.60390 7.678663 7.544096       22.66979 0.000000       0.000000 7.544096       22.66979 ?        ?        18.60390 7.678663 ?              ?        
1 1 1 0   36 2  o 77.12418 4.989886 300.6822       37.46710 0.000000       0.000000 300.6822       37.46710 ?        ?        77.12418 4.989886 ?              ?        
1 1 1 0   36 3  o 79.58577 3.579857 315.2598       27.81597 318.3000       55.60310 314.2450       32.12467 77.91125 7.379034 79.22770 4.156976 -1.316444      8.469392 
1 1 1 0   36 4  o 16.09662 7.143907 -5.347249      22.45068 -35.50000      40.49630 8.032230       26.97562 18.42992 8.681976 19.96233 8.319600 -1.532408      12.02466 
1 1 1 0   36 5  o 23.16920 7.533229 27.64858       19.57021 46.74000       41.35428 22.13926       22.21522 30.08474 10.90399 21.95420 7.986867 8.130533       13.51618 
1 1 1 0   36 6  o 57.83326 4.022391 167.6704       22.62836 195.7000       48.96716 160.0595       25.51626 60.17622 8.553972 56.26565 4.675254 3.910568       9.748253 
1 1 1 0   36 7  o 56.43860 4.111985 159.9482       22.56026 118.4000       47.61837 171.9732       25.61782 45.20032 10.89204 58.38177 4.518029 -13.18145      11.79191 
1 1 1 0   36 8  o 85.90617 3.392743 367.0040       28.47256 410.6000       61.77319 355.2436       32.08389 88.49876 7.193067 84.30240 3.898688 4.196365       8.181686 
1 1 1 0   36 9  o 18.83023 7.099606 14.57575       17.83920 7.090000       41.97167 16.22620       19.70791 23.43346 10.09378 19.75907 7.459466 3.674389       12.55101 
1 1 1 0   36 10 o 69.51822 3.583241 241.2043       24.30037 242.7000       53.49371 240.8154       27.27724 66.99450 8.337403 69.28076 4.039894 -2.286263      9.264612 
1 1 1 0   36 11 o 46.74451 4.747364 111.2770       21.42050 160.9000       46.35418 97.80323       24.15414 53.82905 9.123105 43.36301 5.838953 10.46604       10.83164 
1 1 1 0   36 12 o 55.66687 6.784658 163.4453       36.20565 197.2000       48.76941 122.0000       54.04037 60.02765 8.540936 44.64128 12.07719 15.38637       14.79210 
1 1 1 0   36 13 o 19.14887 6.976667 16.65455       16.95982 0.000000       0.000000 16.65455       16.95982 ?        ?        19.14887 6.976667 ?              ?        
1 1 1 0   36 14 o 36.05266 8.389606 72.84476       29.04831 0.000000       0.000000 72.84476       29.04831 ?        ?        36.05266 8.389606 ?              ?        
1 1 1 0   36 15 o 83.95898 3.762505 353.3631       30.84222 374.7000       59.05017 345.3587       36.16759 83.83484 7.267711 82.58755 4.490927 1.247284       8.543304 
1 1 1 0   36 16 f 52.92866 3.469530 140.3073       17.87585 113.2000       44.16724 145.6175       19.54850 43.70407 10.46346 53.82928 3.733256 -10.12521      11.10951 
1 1 1 0   36 17 o 37.75834 3.810842 72.10960       13.89193 85.75000       39.83588 70.22110       14.82243 37.88491 10.41879 37.14618 4.147285 0.7387390      11.21388 
1 1 1 0   36 18 o 43.25801 7.569629 102.5288       30.88457 99.87000       39.52035 106.7000       49.50056 41.18083 9.922319 41.28329 11.71097 -0.1024666     15.34924 
1 1 1 0   36 19 o 39.72733 8.188567 88.57139       30.78319 74.23000       39.18146 111.7000       49.75764 35.04693 10.55598 42.16131 11.66350 -7.114384      15.73106 
1 1 1 0   36 20 o 47.83984 7.125179 123.9493       32.34858 92.25000       40.84343 177.3000       52.98682 39.03981 10.47256 54.81828 10.25177 -15.77846      14.65515 
1 1 1 0   36 21 o 27.25253 9.429257 41.35552       30.62156 43.80000       38.19883 36.96000       51.22269 28.24908 10.44068 28.29214 11.59542 -0.4305458E-01 15.60326 
1 1 1 0   36 22 o 22.74866 9.080976 21.03457       30.49593 -20.76000      37.57468 101.7000       52.20102 18.53785 8.610910 39.52284 12.23948 -20.98499      14.96505 
1 1 1 0   36 23 o 30.34622 9.619811 54.14796       32.05666 83.78000       41.03720 7.759000       51.34573 36.80709 10.73270 24.50568 10.84352 12.30141       15.25689 
1 1 1 0   36 24 o 44.13009 11.21962 122.8000       48.56325 122.8000       48.56325 0.000000       0.000000 44.13009 11.21962 ?        ?        ?              ?        
1 1 1 0   36 25 o 17.59370 8.052472 -12.19320      31.16862 -34.56000      40.67027 19.64000       48.51939 17.96230 8.532187 25.29977 10.87458 -7.337465      13.82226 
1 1 1 0   36 26 f 26.33190 9.545351 38.47741       31.69253 2.170000       42.17389 85.58000       48.03617 21.93650 9.760290 36.06321 11.80740 -14.12671      15.31920 
1 1 1 0   36 27 o 39.90808 11.96617 106.1000       50.43294 0.000000       0.000000 106.1000       50.43294 ?        ?        39.90808 11.96617 ?              ?        
1 1 1 0   36 28 o 26.93752 9.499536 41.86660       31.16656 42.16000       40.89323 41.46000       48.14060 27.52134 10.65621 27.93874 11.31933 -0.4173965     15.54613 
1 1 1 0   36 29 o 19.38557 8.356556 6.537168       28.81003 -11.96000      36.78648 35.88000       46.33260 18.90076 8.686751 26.75841 11.00409 -7.857643      14.01962 
1 1 1 0   36 30 o 17.39960 7.797544 -3.856476      27.43232 -29.72000      34.00408 44.35000       46.42371 16.36904 7.782907 28.00840 11.19630 -11.63937      13.63564 
1 1 1 0   36 31 o 27.02931 11.11686 38.36000       47.29454 0.000000       0.000000 38.36000       47.29454 ?        ?        27.02931 11.11686 ?              ?        
1 1 1 0   36 32 o 21.77148 8.850218 19.48334       29.54347 19.34000       37.74605 19.71000       47.46616 23.09886 9.747498 24.55856 10.65624 -1.459702      14.44192 
1 1 1 0   36 33 o 35.81536 10.66285 84.00000       40.15464 84.00000       40.15464 0.000000       0.000000 35.81536 10.66285 ?        ?        ?              ?        
1 1 1 0   36 34 o 21.14613 8.731961 16.73514       29.33376 25.06000       37.97792 4.424000       46.18405 23.93131 9.913827 22.46298 10.08805 1.468332       14.14400 
1 1 1 0   36 35 o 25.77355 10.22113 36.04000       38.38871 36.04000       38.38871 0.000000       0.000000 25.77355 10.22113 ?        ?        ?              ?        
1 1 1 0   36 36 o 49.50766 7.043579 136.7984       33.17097 140.4000       43.33100 131.7000       51.55527 47.78616 9.597428 43.75234 11.77885 4.033825       15.19381 
1 1 1 0   36 37 o 45.62942 11.84461 143.8000       53.35886 0.000000       0.000000 143.8000       53.35886 ?        ?        45.62942 11.84461 ?              ?        
1 1 1 0   36 38 f 41.55429 8.145851 101.4303       31.94788 123.6000       41.20609 68.02000       50.58491 44.41759 9.745951 31.31536 11.92111 13.10223       15.39794 
1 1 1 0   36 39 o 23.19101 8.940248 28.32864       28.69146 -2.344000      36.15232 80.52000       47.15849 19.55793 8.841573 33.71412 11.69964 -14.15619      14.66476 
1 1 1 0   36 40 o 28.81654 9.296546 52.33936       29.83874 70.52000       38.59045 25.31000       47.05363 32.29826 10.58351 24.58895 10.63978 7.709311       15.00719 
1 1 1 0   36 41 o 20.04125 8.502475 13.09295       28.97447 48.59000       36.90947 -43.91000      46.77247 27.46706 10.24190 17.95373 8.687937 9.513336       13.43044 
1 1 1 0   36 42 o 20.10252 8.463444 14.76313       28.35085 16.80000       36.02665 11.45000       45.94742 21.68456 9.346141 22.41582 10.06490 -0.7312622     13.73508 
1 1 1 0   37 1  o 21.05211 7.565940 20.94892       19.85880 0.000000       0.000000 20.94892       19.85880 ?        ?        21.05211 7.565940 ?              ?        
1 1 1 0   37 2  o 46.71650 5.523865 112.7363       24.77116 0.000000       0.000000 112.7363       24.77116 ?        ?        46.71650 5.523865 ?              ?        
1 1 1 0   37 3  o 40.76994 6.267452 87.50826       24.21184 0.000000       0.000000 87.50826       24.21184 ?        ?        40.76994 6.267452 ?              ?        
1 1 1 0   37 4  o 41.22165 5.202888 87.57793       20.52633 100.2000       41.83047 83.57475       23.55755 41.43847 10.34546 39.82491 6.248685 1.613560       12.08613 
1 1 1 0   37 5  o 33.46085 7.178160 60.78711       22.80557 54.64000       41.26131 63.49099       27.36538 31.22269 10.93667 33.73339 8.336371 -2.510704      13.75157 
1 1 1 0   37 6  o 15.85219 6.742073 2.330874       18.29645 12.59000       40.69374 -0.2685008     20.48363 23.71250 10.06881 16.14156 7.002165 7.570946       12.26423 
1 1 1 0   37 7  o 19.74574 7.310775 17.38491       18.74383 37.54000       41.15681 12.11054       21.05399 27.80686 10.71081 18.95249 7.552052 8.854376       13.10553 
1 1 1 0   37 8  o 39.23315 5.317315 79.84657       19.89468 41.89000       43.35915 89.96851       22.39077 28.76434 11.01560 41.53677 5.653818 -12.77243      12.38180 
1 1 1 0   37 9  o 52.58017 4.673364 140.9589       23.80204 155.6000       47.18025 135.9604       27.56728 52.20107 9.586854 51.19713 5.591817 1.003937       11.09848 
1 1 1 0   37 10 o 57.21482 8.943094 183.3000       48.44596 183.3000       48.44596 0.000000       0.000000 57.21482 8.943094 ?        ?        ?              ?        
1 1 1 0   37 11 o 24.10373 6.942464 31.51226       17.26751 20.52000       39.97230 34.03418       19.14613 24.59564 10.17824 24.97464 7.344400 -0.3789978     12.55137 
1 1 1 0   37 12 o 28.61040 6.842389 44.68273       18.90311 0.000000       0.000000 44.68273       18.90311 ?        ?        28.61040 6.842389 ?              ?        
1 1 1 0   37 13 o 23.24359 6.665229 29.21040       15.94940 -43.37000      40.44844 42.57318       17.35563 17.41559 8.337552 28.02638 6.459142 -10.61079      10.54681 
1 1 1 0   37 14 o 84.23935 4.018142 357.6697       33.03639 372.2000       57.18442 350.3907       40.47400 83.47884 7.064609 82.70676 5.023212 0.7720718      8.668411 
1 1 1 0   37 15 o 16.83929 6.229106 12.36115       13.60223 -19.11000      36.90036 17.30992       14.63266 18.59019 8.599751 18.76970 6.516901 -0.1795120     10.79008 
1 1 1 0   37 16 o 81.79080 3.649425 335.7827       29.14339 335.1000       55.48055 336.0429       34.24915 78.87992 7.267324 81.42242 4.312720 -2.542503      8.450654 
1 1 1 0   37 17 o 21.23367 5.572982 24.14480       11.72690 21.39000       38.09332 24.43320       12.32547 24.17527 9.963527 21.33796 5.765658 2.837309       11.51150 
1 1 1 0   37 18 o 49.65184 7.100820 133.7584       33.52887 155.5000       44.56531 105.4000       50.89700 52.09454 9.069028 40.40521 11.99864 11.68933       15.04044 
1 1 1 0   37 19 o 18.57309 8.170097 -0.4329548     28.74468 19.22000       37.17581 -29.65000      45.32780 23.59318 9.794238 19.62806 9.227366 3.965126       13.45628 
1 1 1 0   37 20 o 40.30878 8.491093 92.86082       32.44237 93.19000       42.28958 92.39000       50.57504 38.75655 10.76450 37.62917 12.09986 1.127373       16.19509 
1 1 1 0   37 21 o 54.68320 6.738138 161.1963       35.30429 221.8000       47.74100 88.06000       52.44556 63.22956 7.884595 36.47482 12.34786 26.75474       14.65048 
1 1 1 0   37 22 o 45.35251 7.787206 115.0393       33.32436 99.11000       43.44788 137.8000       51.93527 39.69514 10.86664 46.45783 11.48643 -6.762688      15.81208 
1 1 1 0   37 23 o 34.24824 10.77210 73.88000       40.26869 73.88000       40.26869 0.000000       0.000000 34.24824 10.77210 ?        ?        ?              ?        
1 1 1 0   37 24 o 23.48696 9.052763 26.78586       29.41451 57.14000       38.01509 -18.50000      46.43318 30.56490 10.50909 20.61973 9.576014 9.945168       14.21763 
1 1 1 0   37 25 o 19.77710 9.255223 -23.07000      44.72320 0.000000       0.000000 -23.07000      44.72320 ?        ?        19.77710 9.255223 ?              ?        
1 1 1 0   37 26 o 22.76430 9.124526 22.86561       30.91806 -8.692000      40.50732 66.91000       47.85495 20.15930 9.208974 32.04215 11.71230 -11.88285      14.89910 
1 1 1 0   37 27 o 25.82998 9.253827 38.20100       29.68195 67.12000       38.29729 -5.302000      46.97168 32.35209 10.53959 21.71781 9.919272 10.63428       14.47325 
1 1 1 0   37 28 o 26.91545 9.123049 42.86389       28.62950 39.58000       36.32334 48.25000       46.51885 26.45247 10.09412 28.54211 11.27284 -2.089638      15.13170 
1 1 1 0   37 29 f 33.13201 8.900400 66.55396       29.47529 65.48000       37.37797 68.32000       47.93198 31.89848 10.41369 31.88364 11.71075 0.1483917E-01  15.67120 
1 1 1 0   37 30 o 30.54382 9.175188 57.02684       29.63037 50.20000       37.54512 68.30000       48.24660 28.58706 10.38558 31.91973 11.74487 -3.332663      15.67809 
1 1 1 0   37 31 o 23.31422 9.029066 27.75344       29.36285 46.07000       37.75856 -0.2700000     46.70402 27.64935 10.34914 22.02111 9.992692 5.628242       14.38605 
1 1 1 0   37 32 o 48.22749 7.253911 130.6850       33.18359 117.6000       42.93347 150.1000       52.29723 42.88832 10.34708 47.43533 11.40447 -4.547009      15.39883 
1 1 1 0   37 33 o 44.29631 11.80493 135.3000       52.10814 0.000000       0.000000 135.3000       52.10814 ?        ?        44.29631 11.80493 ?              ?        
1 1 1 0   37 34 o 30.24376 11.13068 60.07000       43.33648 60.07000       43.33648 0.000000       0.000000 30.24376 11.13068 ?        ?        ?              ?        
1 1 1 0   37 35 o 24.69140 10.05635 30.45000       38.23120 30.45000       38.23120 0.000000       0.000000 24.69140 10.05635 ?        ?        ?              ?        
1 1 1 0   37 36 o 26.96500 11.15800 40.74000       48.03389 0.000000       0.000000 40.74000       48.03389 ?        ?        26.96500 11.15800 ?              ?        
1 1 1 0   37 37 o 55.53368 6.517360 169.8090       34.75360 168.4000       44.96358 171.9000       54.77370 52.79941 9.024060 50.57592 11.34437 2.223488       14.49581 
1 1 1 0   37 38 o 26.81659 9.278849 44.41058       29.65259 74.10000       38.13768 -0.9734000     47.15251 33.16369 10.49011 21.64950 9.907082 11.51419       14.42888 
1 1 1 0   37 39 o 19.09068 8.228870 8.637951       27.93260 20.12000       35.57837 -9.811000      45.09851 22.30062 9.439629 20.32170 9.437530 1.978916       13.34817 
1 1 1 0   37 40 o 36.07453 8.760350 81.30944       30.62075 86.54000       39.17948 73.10000       49.08417 35.36799 10.53329 31.25735 11.77839 4.110638       15.80129 
1 1 1 0   37 41 o 20.64268 8.573433 17.95401       28.50477 -2.922000      35.88836 53.63000       46.91566 19.02122 8.681053 27.94532 11.22658 -8.924097      14.19144 
1 1 1 0   38 0  o 65.93092 5.424056 219.2663       34.69485 0.000000       0.000000 219.2663       34.69485 ?        ?        65.93092 5.424056 ?              ?        
1 1 1 0   38 1  o 71.45602 3.672455 256.0887       25.60013 0.000000       0.000000 256.0887       25.60013 ?        ?        71.45602 3.672455 ?              ?        
1 1 1 0   38 2  o 78.90743 3.529729 311.5840       27.19348 0.000000       0.000000 311.5840       27.19348 ?        ?        78.90743 3.529729 ?              ?        
1 1 1 0   38 3  o 84.20197 3.964571 356.7541       32.58392 0.000000       0.000000 356.7541       32.58392 ?        ?        84.20197 3.964571 ?              ?        
1 1 1 0   38 4  o 41.42120 6.031956 90.54745       23.73824 0.000000       0.000000 90.54745       23.73824 ?        ?        41.42120 6.031956 ?              ?        
1 1 1 0   38 5  o 21.45509 7.723837 22.43459       20.70643 0.000000       0.000000 22.43459       20.70643 ?        ?        21.45509 7.723837 ?              ?        
1 1 1 0   38 6  o 33.25423 6.878672 60.20845       21.65093 53.14000       36.91010 63.91643       26.73326 30.36297 10.35769 33.66845 8.191171 -3.305485      13.20519 
1 1 1 0   38 7  o 21.55342 7.256819 24.02688       18.11393 68.24000       37.73005 10.78386       20.64930 33.79994 10.39489 18.42388 7.431683 15.37606       12.77825 
1 1 1 0   38 8  o 30.30467 10.69471 52.86000       39.50778 52.86000       39.50778 0.000000       0.000000 30.30467 10.69471 ?        ?        ?              ?        
1 1 1 0   38 9  o 24.31579 7.121853 32.33901       18.03447 52.21000       39.26420 27.02605       20.30278 30.12615 10.65897 22.69950 7.682731 7.426643       13.13917 
1 1 1 0   38 10 f 39.11244 5.140735 79.54065       19.20497 89.03000       42.21322 77.06389       21.56611 38.07782 10.81899 38.10998 5.977788 -0.3216171E-01 12.36061 
1 1 1 0   38 11 o 33.15146 6.502816 59.48904       20.34715 0.000000       0.000000 59.48904       20.34715 ?        ?        33.15146 6.502816 ?              ?        
1 1 1 0   38 12 o 38.64250 4.851265 77.23914       17.94623 73.39000       40.82801 78.16093       19.97988 34.58918 10.84206 38.61969 5.435596 -4.030514      12.12831 
1 1 1 0   38 13 o 14.45411 6.098799 2.768286       14.77384 -41.79000      38.37129 10.52337       16.00794 16.85753 8.083735 16.93903 6.636227 -0.8149529E-01 10.45879 
1 1 1 0   38 14 o 41.35731 5.942430 90.68744       23.36605 117.8000       43.47760 79.67622       27.70755 44.22535 10.24488 37.73851 7.760107 6.486835       12.85211 
1 1 1 0   38 15 o 23.14034 6.072628 29.04649       13.92507 112.4000       41.56002 18.50544       14.77936 43.33260 10.00123 19.15766 6.553715 24.17493       11.95725 
1 1 1 0   38 16 f 47.80838 7.583033 126.2345       34.30258 114.5000       45.61982 141.5000       52.03265 42.98664 10.84456 47.47970 11.35027 -4.493053      15.69819 
1 1 1 0   38 17 o 39.39605 3.889386 78.90509       14.80277 54.70000       43.51252 82.07306       15.74169 30.38620 11.15831 40.11840 4.064711 -9.732201      11.87559 
1 1 1 0   38 18 o 33.72007 9.521319 68.29842       32.79753 79.79000       43.83230 53.68000       49.43730 35.33892 11.25421 30.28774 11.71957 5.051182       16.24825 
1 1 1 0   38 19 o 35.08474 9.333226 73.57061       32.60860 100.0000       42.90594 37.43000       50.17318 39.91135 10.74575 27.80713 11.44488 12.10422       15.69893 
1 1 1 0   38 20 o 20.43229 8.666706 10.07660       30.09482 1.995000       38.54261 22.70000       48.17044 21.13297 9.370732 25.47291 10.88983 -4.339943      14.36660 
1 1 1 0   38 21 o 32.82380 10.83003 68.16000       40.38233 68.16000       40.38233 0.000000       0.000000 32.82380 10.83003 ?        ?        ?              ?        
1 1 1 0   38 22 o 27.72729 10.43043 43.86000       38.45622 43.86000       38.45622 0.000000       0.000000 27.72729 10.43043 ?        ?        ?              ?        
1 1 1 0   38 23 o 27.99377 9.324190 46.57358       29.91430 77.97000       38.62163 -0.5062000     47.29418 35.00190 10.46614 22.38189 10.11596 12.62001       14.55585 
1 1 1 0   38 24 o 29.49442 11.48457 53.35000       47.70398 0.000000       0.000000 53.35000       47.70398 ?        ?        29.49442 11.48457 ?              ?        
1 1 1 0   38 25 o 23.73788 8.834214 30.17592       27.43495 19.60000       34.10770 49.56000       46.17595 22.54348 9.371868 28.72341 11.26564 -6.179932      14.65423 
1 1 1 0   38 26 o 31.14001 9.087907 59.30124       29.41206 49.46000       37.19231 75.73000       48.05411 28.37877 10.33271 33.21764 11.78808 -4.838867      15.67558 
1 1 1 0   38 27 o 34.51799 8.861029 72.16524       30.08915 66.64000       38.43687 80.91000       48.35556 32.01421 10.56607 34.12583 11.84694 -2.111614      15.87425 
1 1 1 0   38 28 o 30.08456 9.192485 55.48033       29.56669 61.80000       37.62709 45.28000       47.80357 31.01635 10.45905 27.99992 11.30281 3.016428       15.39952 
1 1 1 0   38 29 o 26.64464 9.186406 42.46801       29.05468 66.69000       37.23931 4.783000       46.44949 32.02375 10.39011 22.45198 10.09724 9.571772       14.48822 
1 1 1 0   38 30 o 25.85573 9.236649 39.22297       29.54988 27.43000       37.87428 57.57000       47.24063 24.20353 9.950794 29.79909 11.47596 -5.595562      15.18934 
1 1 1 0   38 31 o 19.09345 8.314570 5.547332       29.11330 -5.303000      36.67645 24.03000       47.86832 19.39022 8.820951 24.83395 10.73863 -5.443731      13.89703 
1 1 1 0   38 32 o 29.32565 10.50851 55.20000       38.27879 55.20000       38.27879 0.000000       0.000000 29.32565 10.50851 ?        ?        ?              ?        
1 1 1 0   38 33 o 27.90022 9.461514 48.05742       30.79351 59.64000       39.28472 29.60000       49.59141 30.18778 10.66349 25.66952 11.01315 4.518259       15.32969 
1 1 1 0   38 34 o 27.51474 11.31551 44.66000       48.99429 0.000000       0.000000 44.66000       48.99429 ?        ?        27.51474 11.31551 ?              ?        
1 1 1 0   38 35 o 46.17485 7.847176 123.7903       34.19913 138.3000       45.63372 105.2000       51.65351 46.25402 10.33948 37.78474 12.23507 8.469280       16.01880 
1 1 1 0   38 36 o 23.44139 10.35735 16.50000       46.67902 0.000000       0.000000 16.50000       46.67902 ?        ?        23.44139 10.35735 ?              ?        
1 1 1 0   38 37 o 23.66668 9.798956 27.54000       37.07550 27.54000       37.07550 0.000000       0.000000 23.66668 9.798956 ?        ?        ?              ?        
1 1 1 0   38 38 o 45.67065 7.599412 122.0122       32.77889 123.8000       41.92311 119.2000       52.57851 43.35170 10.07231 39.35622 12.29894 3.995483       15.89703 
1 1 1 0   38 39 o 22.73750 8.966382 28.20417       29.38940 30.16000       36.85827 24.79000       48.69818 23.75766 9.796979 24.11127 10.61920 -0.3536034     14.44812 
1 1 1 0   39 1  o 72.74035 3.606246 265.7701       25.59651 0.000000       0.000000 265.7701       25.59651 ?        ?        72.74035 3.606246 ?              ?        
1 1 1 0   39 2  o 47.20902 4.644248 114.3689       21.18329 0.000000       0.000000 114.3689       21.18329 ?        ?        47.20902 4.644248 ?              ?        
1 1 1 0   39 3  o 24.68306 7.330451 33.59209       18.99654 0.000000       0.000000 33.59209       18.99654 ?        ?        24.68306 7.330451 ?              ?        
1 1 1 0   39 4  o 52.25921 5.160024 141.4206       26.05087 0.000000       0.000000 141.4206       26.05087 ?        ?        52.25921 5.160024 ?              ?        
1 1 1 0   39 5  o 35.11420 6.109617 66.01433       20.23697 0.000000       0.000000 66.01433       20.23697 ?        ?        35.11420 6.109617 ?              ?        
1 1 1 0   39 6  o 27.14464 9.218446 41.42877       29.23260 0.000000       0.000000 41.42877       29.23260 ?        ?        27.14464 9.218446 ?              ?        
1 1 1 0   39 7  o 49.49598 8.120938 137.1000       37.98108 0.000000       0.000000 137.1000       37.98108 ?        ?        49.49598 8.120938 ?              ?        
1 1 1 0   39 8  o 27.40830 6.788117 41.44354       18.11518 60.35000       37.49084 35.68494       20.69086 31.63754 10.43495 25.31805 7.680671 6.319492       12.95688 
1 1 1 0   39 9  o 41.30595 5.606305 89.82317       22.08251 0.000000       0.000000 89.82317       22.08251 ?        ?        41.30595 5.606305 ?              ?        
1 1 1 0   39 10 o 43.09894 5.306950 97.04762       21.91590 0.000000       0.000000 97.04762       21.91590 ?        ?        43.09894 5.306950 ?              ?        
1 1 1 0   39 11 o 68.79844 3.496539 237.7594       23.46911 256.2000       53.38156 233.3410       26.12992 67.71085 8.222613 67.91619 3.947613 -0.2053452     9.121130 
1 1 1 0   39 12 o 47.18234 4.156186 113.4639       18.99866 204.2000       47.63300 96.29836       20.71797 60.27366 8.293347 43.05166 5.009929 17.22200       9.689117 
1 1 1 0   39 13 o 26.18161 6.368144 37.59605       16.16095 11.08000       41.66912 42.29076       17.53334 23.04269 9.991486 27.71493 6.564820 -4.672237      11.95519 
1 1 1 0   39 14 o 36.22023 4.618157 67.97089       16.00105 68.39000       42.30954 67.90095       17.28484 32.92928 11.09072 36.01675 5.040758 -3.087475      12.18250 
1 1 1 0   39 15 f 38.60315 4.351647 76.65884       16.15687 135.4000       43.51352 67.26517       17.40085 47.63464 9.663260 35.80652 5.109563 11.82812       10.93098 
1 1 1 0   39 16 o 39.51106 4.852866 81.23413       18.37450 76.77000       41.84056 82.30078       20.45222 34.66908 10.99022 39.48493 5.435892 -4.815849      12.26107 
1 1 1 0   39 17 o 55.21813 3.367182 153.4502       18.11277 137.8000       45.10701 156.4588       19.77730 47.58888 10.00171 55.62456 3.652614 -8.035683      10.64780 
1 1 1 0   39 18 o 23.47563 9.059039 27.01838       29.48020 40.52000       38.00019 6.609000       46.72053 27.04074 10.32305 23.16510 10.29193 3.875639       14.57701 
1 1 1 0   39 19 o 35.41731 9.031576 75.10106       31.40270 76.14000       40.57919 73.55000       49.58159 34.42035 10.81179 33.27269 11.95529 1.147659       16.11905 
1 1 1 0   39 20 o 38.77208 10.63923 96.46000       41.59164 96.46000       41.59164 0.000000       0.000000 38.77208 10.63923 ?        ?        ?              ?        
1 1 1 0   39 21 o 30.06040 9.347924 55.27009       30.41413 50.47000       38.77078 62.95000       49.04088 28.71923 10.53500 31.05914 11.75768 -2.339907      15.78700 
1 1 1 0   39 22 o 60.40237 9.970032 224.2000       56.89155 0.000000       0.000000 224.2000       56.89155 ?        ?        60.40237 9.970032 ?              ?        
1 1 1 0   39 23 o 22.61392 10.14604 5.286000       46.59226 0.000000       0.000000 5.286000       46.59226 ?        ?        22.61392 10.14604 ?              ?        
1 1 1 0   39 24 o 50.40293 6.600134 139.7095       31.78070 128.1000       39.84852 160.0000       52.68080 46.00449 9.171203 49.27524 11.17983 -3.270752      14.46028 
1 1 1 0   39 25 o 24.53937 8.978725 33.79626       28.13418 38.81000       35.29579 25.06000       46.59129 26.07471 9.950236 24.94258 10.68753 1.132130       14.60241 
1 1 1 0   39 26 o 35.98854 8.523871 77.36039       29.56118 59.20000       37.68750 106.4000       47.65739 30.34745 10.46254 39.31915 11.59378 -8.971701      15.61667 
1 1 1 0   39 27 o 17.00472 7.730642 -7.061716      28.11216 -35.53000      35.82064 38.59000       45.36086 16.22326 7.787680 26.59154 10.90661 -10.36828      13.40157 
1 1 1 0   39 28 o 28.29360 9.354853 49.42804       30.12539 15.16000       38.36987 104.5000       48.64195 22.33332 9.635661 38.50505 11.79547 -16.17173      15.23086 
1 1 1 0   39 29 o 29.76483 9.242562 55.15173       29.74439 56.76000       38.33872 52.72000       47.14298 29.60150 10.52675 28.81915 11.35875 0.7823505      15.48657 
1 1 1 0   39 30 o 35.74596 9.032779 78.73546       31.61279 151.3000       41.61184 -20.31000      48.61518 50.30320 8.769805 20.33342 9.558074 29.96977       12.97175 
1 1 1 0   39 31 o 45.72920 9.850597 131.7000       42.78899 131.7000       42.78899 0.000000       0.000000 45.72920 9.850597 ?        ?        ?              ?        
1 1 1 0   39 32 o 20.25482 8.546252 13.42091       29.00995 27.61000       36.57688 -10.64000      47.63054 23.83030 9.786120 20.87895 9.697183 2.951353       13.77692 
1 1 1 0   39 33 o 33.35783 11.95867 81.09000       49.57847 0.000000       0.000000 81.09000       49.57847 ?        ?        33.35783 11.95867 ?              ?        
1 1 1 0   39 34 o 13.51674 6.553982 -35.20603      26.96147 -25.53000      33.74723 -52.28000      44.82877 16.39449 7.783043 17.06556 8.314797 -0.6710682     11.38910 
1 1 1 0   39 35 o 25.08529 9.211054 37.80924       29.64994 4.905000       37.61108 91.83000       48.19148 20.48764 9.159599 35.12751 11.83658 -14.63987      14.96673 
1 1 1 0   39 36 f 17.72224 7.957856 -0.8711358     28.72743 -42.52000      35.81635 74.25000       48.10174 15.42531 7.496671 31.51596 11.70356 -16.09064      13.89869 
1 1 1 0   39 37 o 22.41862 8.899223 27.02511       29.12771 -20.65000      36.27167 113.6000       48.87848 17.23327 8.148019 38.64102 11.82164 -21.40775      14.35762 
1 1 1 0   39 38 o 30.50010 11.79893 72.75000       50.10019 0.000000       0.000000 72.75000       50.10019 ?        ?        30.50010 11.79893 ?              ?        
1 1 1 0   40 0  o 69.65822 5.117704 244.9332       34.65067 0.000000       0.000000 244.9332       34.65067 ?        ?        69.65822 5.117704 ?              ?        
1 1 1 0   40 1  o 17.17762 7.015574 8.551112       18.66910 0.000000       0.000000 8.551112       18.66910 ?        ?        17.17762 7.015574 ?              ?        
1 1 1 0   40 2  o 52.51040 4.273185 140.7294       21.77390 0.000000       0.000000 140.7294       21.77390 ?        ?        52.51040 4.273185 ?              ?        
1 1 1 0   40 3  o 16.70505 6.958625 6.264656       18.85818 0.000000       0.000000 6.264656       18.85818 ?        ?        16.70505 6.958625 ?              ?        
1 1 1 0   40 4  o 37.57263 6.687050 76.99754       23.69151 0.000000       0.000000 76.99754       23.69151 ?        ?        37.57263 6.687050 ?              ?        
1 1 1 0   40 5  o 53.60123 6.450445 154.1164       33.16376 0.000000       0.000000 154.1164       33.16376 ?        ?        53.60123 6.450445 ?              ?        
1 1 1 0   40 6  o 40.48584 6.036919 87.65005       23.19332 0.000000       0.000000 87.65005       23.19332 ?        ?        40.48584 6.036919 ?              ?        
1 1 1 0   40 7  o 63.93131 4.379202 208.8884       27.23856 0.000000       0.000000 208.8884       27.23856 ?        ?        63.93131 4.379202 ?              ?        
1 1 1 0   40 8  o 31.08229 8.097476 55.73655       24.87857 0.000000       0.000000 55.73655       24.87857 ?        ?        31.08229 8.097476 ?              ?        
1 1 1 0   40 9  o 43.27645 5.391510 98.52431       22.34461 0.000000       0.000000 98.52431       22.34461 ?        ?        43.27645 5.391510 ?              ?        
1 1 1 0   40 10 o 34.60326 5.564054 63.70759       18.20703 98.45000       40.57357 54.94756       20.37351 39.81020 10.32578 31.48846 6.808686 8.321739       12.36851 
1 1 1 0   40 11 o 24.13633 6.792832 32.36609       16.72197 7.709000       37.70984 38.40134       18.65656 21.66619 9.448437 26.14642 7.105671 -4.480223      11.82216 
1 1 1 0   40 12 o 17.25265 6.625167 12.36086       15.71312 -15.07000      36.42588 18.63225       17.41696 18.56368 8.572188 19.50720 7.075510 -0.9435139     11.11509 
1 1 1 0   40 13 o 19.88889 6.709348 20.71858       15.48378 -10.85000      37.12622 27.36570       17.03610 19.17517 8.780847 22.31283 7.004903 -3.137661      11.23263 
1 1 1 0   40 14 o 35.08691 4.811644 64.35000       16.09033 103.3000       40.27666 56.95323       17.55177 40.79737 10.13201 32.56105 5.715393 8.236324       11.63285 
1 1 1 0   40 15 o 29.64903 7.431590 50.12717       21.52317 30.09000       38.53383 59.21299       25.94813 25.09712 10.14188 31.80342 8.261924 -6.706299      13.08118 
1 1 1 0   40 16 o 18.69160 6.568764 17.61813       14.89282 -16.12000      36.99382 24.14353       16.26943 18.49211 8.573959 21.10008 6.869204 -2.607973      10.98630 
1 1 1 0   40 17 o 8.348860 4.056993 -17.09508      10.48013 -3.818000      35.79553 -18.33988      10.96041 19.53763 8.818349 8.469570 4.123188 11.06806       9.734678 
1 1 1 0   40 18 o 30.75630 10.53352 60.74000       38.18182 60.74000       38.18182 0.000000       0.000000 30.75630 10.53352 ?        ?        ?              ?        
1 1 1 0   40 19 o 44.93054 9.318017 122.7000       39.63438 122.7000       39.63438 0.000000       0.000000 44.93054 9.318017 ?        ?        ?              ?        
1 1 1 0   40 20 o 42.36702 7.654900 102.8204       30.57684 148.5000       39.30491 32.80000       48.66293 50.54003 8.227986 26.15941 11.05480 24.38062       13.78073 
1 1 1 0   40 21 o 33.52950 11.88515 79.17000       48.83664 0.000000       0.000000 79.17000       48.83664 ?        ?        33.52950 11.88515 ?              ?        
1 1 1 0   40 22 o 27.44586 9.181048 45.71518       28.99771 43.60000       35.75504 49.78000       49.56606 26.99441 10.07752 28.58048 11.51916 -1.586079      15.30515 
1 1 1 0   40 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 0   40 24 o 16.83038 7.616602 -5.671218      26.91318 -23.33000      33.90043 24.43000       44.26056 16.76931 7.913089 24.40837 10.43673 -7.639065      13.09741 
1 1 1 0   40 25 o 39.94006 8.041650 93.49140       30.34950 79.87000       39.07627 114.2000       48.18120 34.67889 10.56230 40.56530 11.56933 -5.886414      15.66562 
1 1 1 0   40 26 o 23.35894 8.972647 29.06600       28.82684 26.84000       37.27141 32.38000       45.47672 23.87555 9.849277 25.56757 10.73898 -1.692013      14.57168 
1 1 1 0   40 27 o 23.18715 8.906792 28.49492       28.40554 13.72000       36.19974 52.17000       45.82355 21.68389 9.357357 28.61884 11.22318 -6.934948      14.61232 
1 1 1 0   40 28 o 21.11267 8.686268 18.04968       28.88685 39.80000       37.09326 -15.47000      46.04814 26.10785 10.13798 20.20851 9.435556 5.899338       13.84949 
1 1 1 0   40 29 o 21.49810 8.765979 20.02733       29.09014 30.23000       36.67158 2.710000       47.77636 24.31574 9.869179 22.21378 10.09062 2.101961       14.11458 
1 1 1 0   40 30 o 20.55000 9.098912 6.401000       36.20854 6.401000       36.20854 0.000000       0.000000 20.55000 9.098912 ?        ?        ?              ?        
1 1 1 0   40 31 o 19.95503 8.505235 11.69396       29.22645 4.748000       37.32647 22.70000       46.98577 20.54383 9.158817 24.23675 10.55841 -3.692923      13.97727 
1 1 1 0   40 32 o 19.31687 8.482842 5.906024       30.86705 -51.03000      40.08586 88.84000       48.37978 16.01006 7.814178 34.62969 11.85715 -18.61963      14.20048 
1 1 1 0   40 33 o 44.89678 7.699277 118.0758       32.61801 112.2000       41.15648 128.0000       53.48753 41.05237 10.26903 41.08450 12.32421 -0.3213501E-01 16.04180 
1 1 1 0   40 34 o 35.65523 8.914328 80.39278       31.02561 98.84000       39.46908 50.56000       50.19246 38.10529 10.32657 27.60430 11.41269 10.50099       15.39115 
1 1 1 0   40 35 o 25.13375 9.200868 39.56540       29.54926 16.58000       37.00196 80.03000       49.09491 21.60517 9.391369 32.01564 11.83580 -10.41047      15.10907 
1 1 1 0   40 36 o 26.25951 9.174285 44.66735       29.02316 16.86000       36.20607 94.66000       48.54613 21.43642 9.304144 34.58089 11.87634 -13.14447      15.08690 
1 1 1 0   41 1  o 17.05324 7.655325 -4.933407      26.56426 0.000000       0.000000 -4.933407      26.56426 ?        ?        17.05324 7.655325 ?              ?        
1 1 1 0   41 2  o 14.38857 6.437996 -4.505561      18.62072 0.000000       0.000000 -4.505561      18.62072 ?        ?        14.38857 6.437996 ?              ?        
1 1 1 0   41 3  o 66.56020 3.820656 224.6216       24.78736 0.000000       0.000000 224.6216       24.78736 ?        ?        66.56020 3.820656 ?              ?        
1 1 1 0   41 4  o 46.20313 5.467698 112.7505       24.24897 0.000000       0.000000 112.7505       24.24897 ?        ?        46.20313 5.467698 ?              ?        
1 1 1 0   41 5  o 35.39974 5.909770 67.54122       19.75607 0.000000       0.000000 67.54122       19.75607 ?        ?        35.39974 5.909770 ?              ?        
1 1 1 0   41 6  o 77.09045 4.145869 303.0299       31.16892 0.000000       0.000000 303.0299       31.16892 ?        ?        77.09045 4.145869 ?              ?        
1 1 1 0   41 7  o 21.13569 7.652746 22.76947       20.36300 0.000000       0.000000 22.76947       20.36300 ?        ?        21.13569 7.652746 ?              ?        
1 1 1 0   41 8  o 27.28374 7.682539 42.73944       21.38357 0.000000       0.000000 42.73944       21.38357 ?        ?        27.28374 7.682539 ?              ?        
1 1 1 0   41 9  o 35.85698 5.461895 68.44177       18.56541 0.000000       0.000000 68.44177       18.56541 ?        ?        35.85698 5.461895 ?              ?        
1 1 1 0   41 10 f 29.95259 6.277503 49.39954       17.81495 0.000000       0.000000 49.39954       17.81495 ?        ?        29.95259 6.277503 ?              ?        
1 1 1 0   41 11 o 16.15522 6.554645 8.165612       16.16902 0.000000       0.000000 8.165612       16.16902 ?        ?        16.15522 6.554645 ?              ?        
1 1 1 0   41 12 o 35.29978 5.901037 67.47243       19.67032 0.000000       0.000000 67.47243       19.67032 ?        ?        35.29978 5.901037 ?              ?        
1 1 1 0   41 13 o 30.45208 5.691047 50.27210       16.33993 62.76000       36.33241 47.10589       18.29446 31.32340 10.26950 29.00727 6.593282 2.316128       12.20385 
1 1 1 0   41 14 o 29.23037 5.466474 46.14148       15.06556 68.50000       34.57731 40.90233       16.73786 32.79773 9.924640 27.04546 6.419410 5.752274       11.81978 
1 1 1 0   41 15 o 25.19093 7.533329 36.59657       20.00843 49.08000       33.93493 29.94414       24.77251 28.19901 9.915137 23.33558 8.441932 4.863432       13.02214 
1 1 1 0   41 16 o 50.98689 4.205180 133.8424       20.80053 72.08000       38.64108 159.0408       24.68166 33.08094 10.57027 55.34601 4.597451 -22.26507      11.52680 
1 1 1 0   41 17 o 68.64481 3.449034 238.4064       23.10031 178.1000       45.42053 259.4480       26.82930 54.71987 8.776712 71.32799 3.857108 -16.60812      9.586864 
1 1 1 0   41 18 f 48.26021 7.018057 130.4078       32.18140 140.7000       40.63853 113.1000       52.69948 48.40712 8.904781 39.46381 12.31013 8.943310       15.19323 
1 1 1 0   41 19 o 21.27983 8.867090 16.76954       30.63478 25.16000       40.40620 5.426000       46.98179 24.09455 10.12159 22.54328 10.14520 1.551270       14.33079 
1 1 1 0   41 20 o 38.23026 11.97912 104.2000       49.84519 0.000000       0.000000 104.2000       49.84519 ?        ?        38.23026 11.97912 ?              ?        
1 1 1 0   41 21 o 32.96758 9.064565 67.48351       30.15682 48.71000       38.73603 96.37000       48.04959 27.89792 10.47390 36.73886 11.79200 -8.840937      15.77194 
1 1 1 0   41 22 o 19.63211 8.358495 10.51593       28.17282 36.18000       36.32776 -28.21000      44.62486 25.41037 9.984502 18.86268 8.953372 6.547688       13.41093 
1 1 1 0   41 23 o 27.95044 9.251128 48.47366       29.45873 58.55000       38.24300 33.77000       46.19693 29.85225 10.52326 25.76441 10.82279 4.087839       15.09542 
1 1 1 0   41 24 o 23.42079 8.935138 29.74364       28.45675 30.95000       36.22703 27.80000       45.98351 24.39628 9.842556 24.90555 10.64333 -0.5092678     14.49677 
1 1 1 0   41 25 o 22.25134 8.800449 24.39087       28.38710 16.03000       35.91473 38.31000       46.33967 21.91164 9.386003 26.37442 10.94067 -4.462774      14.41511 
1 1 1 0   41 26 o 35.02682 8.737616 75.19030       29.85634 77.52000       37.82540 71.34000       48.62737 34.10268 10.39288 31.69946 11.76816 2.403223       15.70037 
1 1 1 0   41 27 o 28.16337 9.203707 49.75610       29.19300 47.97000       37.02773 52.69000       47.45662 27.51471 10.25856 28.45160 11.33790 -0.9368896     15.29007 
1 1 1 0   41 28 o 40.62914 10.11244 107.9000       40.05656 107.9000       40.05656 0.000000       0.000000 40.62914 10.11244 ?        ?        ?              ?        
1 1 1 0   41 29 o 19.82077 8.443131 11.67890       28.77197 2.390000       35.91146 28.33000       48.08088 19.92240 8.925361 24.97416 10.78073 -5.051764      13.99594 
1 1 1 0   41 30 o 23.82661 10.54091 19.90000       48.49612 0.000000       0.000000 19.90000       48.49612 ?        ?        23.82661 10.54091 ?              ?        
1 1 1 0   41 31 o 21.48976 8.732009 21.76537       28.74527 20.91000       35.91468 23.29000       47.94894 22.31517 9.466625 24.04169 10.56468 -1.726521      14.18554 
1 1 1 0   41 32 f 29.05079 9.328992 55.24161       30.07086 67.12000       38.16722 35.80000       48.82900 30.89758 10.53275 25.45248 10.92423 5.445101       15.17490 
1 1 1 0   41 33 o 27.73791 10.31478 52.92000       37.38747 52.92000       37.38747 0.000000       0.000000 27.73791 10.31478 ?        ?        ?              ?        
1 1 1 0   41 34 o 21.75319 8.697701 25.05862       28.02184 29.07000       34.95100 17.84000       46.88561 23.14576 9.541937 22.81825 10.21234 0.3275013      13.97642 
1 1 1 0   42 0  o 40.85690 7.424086 89.43477       28.59702 0.000000       0.000000 89.43477       28.59702 ?        ?        40.85690 7.424086 ?              ?        
1 1 1 0   42 1  o 28.32257 7.676154 46.58849       21.80761 0.000000       0.000000 46.58849       21.80761 ?        ?        28.32257 7.676154 ?              ?        
1 1 1 0   42 2  f 32.26705 7.427248 59.72955       22.97172 0.000000       0.000000 59.72955       22.97172 ?        ?        32.26705 7.427248 ?              ?        
1 1 1 0   42 3  o 41.37278 5.974814 92.56835       23.49601 0.000000       0.000000 92.56835       23.49601 ?        ?        41.37278 5.974814 ?              ?        
1 1 1 0   42 4  o 21.22162 7.437442 24.04690       19.08345 0.000000       0.000000 24.04690       19.08345 ?        ?        21.22162 7.437442 ?              ?        
1 1 1 0   42 5  o 18.17880 7.394333 11.52810       20.63799 0.000000       0.000000 11.52810       20.63799 ?        ?        18.17880 7.394333 ?              ?        
1 1 1 0   42 6  o 24.16043 7.847655 33.44376       21.24089 0.000000       0.000000 33.44376       21.24089 ?        ?        24.16043 7.847655 ?              ?        
1 1 1 0   42 7  o 32.81860 7.696131 62.66190       24.29185 0.000000       0.000000 62.66190       24.29185 ?        ?        32.81860 7.696131 ?              ?        
1 1 1 0   42 8  o 47.71349 4.476548 118.0966       20.66277 0.000000       0.000000 118.0966       20.66277 ?        ?        47.71349 4.476548 ?              ?        
1 1 1 0   42 9  o 18.51487 7.305849 14.19929       19.52291 0.000000       0.000000 14.19929       19.52291 ?        ?        18.51487 7.305849 ?              ?        
1 1 1 0   42 10 o 41.19666 4.897695 89.25247       19.36355 0.000000       0.000000 89.25247       19.36355 ?        ?        41.19666 4.897695 ?              ?        
1 1 1 0   42 11 o 29.00794 6.345799 46.96717       17.51576 0.000000       0.000000 46.96717       17.51576 ?        ?        29.00794 6.345799 ?              ?        
1 1 1 0   42 12 o 22.78661 6.926614 29.36890       16.81606 0.000000       0.000000 29.36890       16.81606 ?        ?        22.78661 6.926614 ?              ?        
1 1 1 0   42 13 o 17.83274 6.651506 15.01264       15.56979 0.000000       0.000000 15.01264       15.56979 ?        ?        17.83274 6.651506 ?              ?        
1 1 1 0   42 14 o 17.91038 6.537192 15.66564       14.90013 0.000000       0.000000 15.66564       14.90013 ?        ?        17.91038 6.537192 ?              ?        
1 1 1 0   42 15 f 36.72283 7.458307 77.59179       25.89305 0.000000       0.000000 77.59179       25.89305 ?        ?        36.72283 7.458307 ?              ?        
1 1 1 0   42 16 f 23.26208 7.551376 30.85000       19.66895 0.000000       0.000000 30.85000       19.66895 ?        ?        23.26208 7.551376 ?              ?        
1 1 1 0   42 17 o 34.70177 4.467951 63.00790       14.82452 99.14000       38.65068 56.77560       16.05221 39.20158 10.03214 32.54589 5.214890 6.655689       11.30658 
1 1 1 0   42 18 o 34.39187 11.63503 84.44000       46.56469 0.000000       0.000000 84.44000       46.56469 ?        ?        34.39187 11.63503 ?              ?        
1 1 1 0   42 19 o 20.95690 8.491461 18.93944       27.09454 -8.156000      34.11338 65.24000       44.59333 18.35872 8.410733 30.85388 11.30162 -12.49516      14.08783 
1 1 1 0   42 20 o 36.60907 8.380466 80.68838       29.38078 69.00000       37.36937 99.61000       47.54643 32.14219 10.40664 37.25312 11.70343 -5.110935      15.66105 
1 1 1 0   42 21 o 29.47600 8.945723 54.05422       28.06403 57.43000       35.72041 48.61000       45.36253 29.64774 10.18722 27.84714 11.08891 1.800600       15.05800 
1 1 1 0   42 22 o 29.44354 8.921409 53.94618       27.92729 35.98000       35.38122 83.64000       45.48602 25.16294 9.863646 34.24488 11.49929 -9.081942      15.15009 
1 1 1 0   42 23 o 23.18073 8.804465 29.34140       27.55405 55.99000       34.84504 -15.13000      45.01364 29.33917 10.06228 19.93946 9.316188 9.399714       13.71280 
1 1 1 0   42 24 o 30.96609 8.885735 59.91084       28.33736 69.50000       36.00365 44.30000       45.93773 32.29723 10.18935 27.05217 11.02133 5.245068       15.00975 
1 1 1 0   42 25 o 19.81299 8.309399 13.63704       27.16379 32.47000       34.16634 -18.72000      44.78407 24.27369 9.637397 19.48041 9.162298 4.793280       13.29764 
1 1 1 0   42 26 o 29.92407 10.24495 59.74000       36.11773 59.74000       36.11773 0.000000       0.000000 29.92407 10.24495 ?        ?        ?              ?        
1 1 1 0   42 27 o 18.05589 7.928529 3.813743       26.96046 -8.580000      32.30238 32.27000       48.94656 17.70920 8.139478 25.39364 10.91874 -7.684444      13.61874 
1 1 1 0   42 28 o 16.33292 7.444661 -6.309633      26.28608 6.984000       32.47659 -31.56000      44.75920 19.67522 8.668487 18.30936 8.766817 1.365862       12.32882 
1 1 1 0   42 29 o 18.94699 8.997734 -23.29000      45.17531 0.000000       0.000000 -23.29000      45.17531 ?        ?        18.94699 8.997734 ?              ?        
1 1 1 0   42 30 o 24.29272 8.915492 36.06079       27.77203 61.25000       34.55424 -9.900000      46.67538 29.86250 10.02260 20.21926 9.459846 9.643244       13.78192 
1 1 1 0   42 31 o 17.24612 7.698345 1.144879       26.45839 -6.926000      31.98715 18.63000       47.08141 17.52323 8.070599 22.91240 10.24556 -5.389168      13.04247 
1 1 1 0   42 32 o 27.16393 11.20429 52.64000       48.22330 0.000000       0.000000 52.64000       48.22330 ?        ?        27.16393 11.20429 ?              ?        
1 1 1 0   43 1  o 34.04154 6.395447 64.47817       20.52790 0.000000       0.000000 64.47817       20.52790 ?        ?        34.04154 6.395447 ?              ?        
1 1 1 0   43 2  o 34.18958 7.153200 66.89188       23.16844 0.000000       0.000000 66.89188       23.16844 ?        ?        34.18958 7.153200 ?              ?        
1 1 1 0   43 3  o 54.67228 4.389672 154.8599       23.29396 0.000000       0.000000 154.8599       23.29396 ?        ?        54.67228 4.389672 ?              ?        
1 1 1 0   43 4  o 34.62780 8.197156 71.61048       27.35024 0.000000       0.000000 71.61048       27.35024 ?        ?        34.62780 8.197156 ?              ?        
1 1 1 0   43 5  o 16.98270 6.994712 8.945854       18.75833 0.000000       0.000000 8.945854       18.75833 ?        ?        16.98270 6.994712 ?              ?        
1 1 1 0   43 6  o 21.34073 7.385330 24.95621       18.78544 0.000000       0.000000 24.95621       18.78544 ?        ?        21.34073 7.385330 ?              ?        
1 1 1 0   43 7  o 21.83689 8.235156 24.84203       24.00535 0.000000       0.000000 24.84203       24.00535 ?        ?        21.83689 8.235156 ?              ?        
1 1 1 0   43 8  o 15.57405 6.614865 4.308631       17.57180 0.000000       0.000000 4.308631       17.57180 ?        ?        15.57405 6.614865 ?              ?        
1 1 1 0   43 9  o 14.65210 6.562649 -3.794844      19.40240 0.000000       0.000000 -3.794844      19.40240 ?        ?        14.65210 6.562649 ?              ?        
1 1 1 0   43 10 o 22.15601 7.629256 27.32219       20.03744 0.000000       0.000000 27.32219       20.03744 ?        ?        22.15601 7.629256 ?              ?        
1 1 1 0   43 11 o 13.04738 5.916173 -6.049470      16.33348 0.000000       0.000000 -6.049470      16.33348 ?        ?        13.04738 5.916173 ?              ?        
1 1 1 0   43 12 o 15.41547 6.444800 5.624914       16.26285 0.000000       0.000000 5.624914       16.26285 ?        ?        15.41547 6.444800 ?              ?        
1 1 1 0   43 13 f 35.16741 5.233614 66.27908       17.46744 0.000000       0.000000 66.27908       17.46744 ?        ?        35.16741 5.233614 ?              ?        
1 1 1 0   43 14 o 16.63649 6.622112 10.54982       16.17122 0.000000       0.000000 10.54982       16.17122 ?        ?        16.63649 6.622112 ?              ?        
1 1 1 0   43 15 o 33.96709 7.171492 66.36124       23.09421 0.000000       0.000000 66.36124       23.09421 ?        ?        33.96709 7.171492 ?              ?        
1 1 1 0   43 16 o 22.48866 7.362903 28.82277       18.67922 0.000000       0.000000 28.82277       18.67922 ?        ?        22.48866 7.362903 ?              ?        
1 1 1 0   43 17 o 16.87407 7.281901 4.331937       21.92330 0.000000       0.000000 4.331937       21.92330 ?        ?        16.87407 7.281901 ?              ?        
1 1 1 0   43 18 o 21.78019 8.881897 21.38733       29.86823 0.000000       0.000000 21.38733       29.86823 ?        ?        21.78019 8.881897 ?              ?        
1 1 1 0   43 19 o 16.49174 7.612032 -11.29512      28.67661 0.000000       0.000000 -11.29512      28.67661 ?        ?        16.49174 7.612032 ?              ?        
1 1 1 0   43 20 o 27.33350 9.271374 46.74980       29.56841 0.000000       0.000000 46.74980       29.56841 ?        ?        27.33350 9.271374 ?              ?        
1 1 1 0   43 21 o 24.71164 9.170376 36.09112       29.52288 0.000000       0.000000 36.09112       29.52288 ?        ?        24.71164 9.170376 ?              ?        
1 1 1 0   43 22 o 27.37421 9.405200 47.56321       30.44658 0.000000       0.000000 47.56321       30.44658 ?        ?        27.37421 9.405200 ?              ?        
1 1 1 0   43 23 o 21.91422 8.872684 22.96305       29.55663 0.000000       0.000000 22.96305       29.55663 ?        ?        21.91422 8.872684 ?              ?        
1 1 1 0   43 24 f 19.65586 8.485993 10.00679       29.79791 0.000000       0.000000 10.00679       29.79791 ?        ?        19.65586 8.485993 ?              ?        
1 1 1 0   43 25 o 24.85724 10.27333 34.53000       40.65161 0.000000       0.000000 34.53000       40.65161 ?        ?        24.85724 10.27333 ?              ?        
1 1 1 0   43 26 o 21.07975 8.729860 19.58539       29.43603 0.000000       0.000000 19.58539       29.43603 ?        ?        21.07975 8.729860 ?              ?        
1 1 1 0   43 27 o 21.79040 9.873827 8.562000       45.40143 0.000000       0.000000 8.562000       45.40143 ?        ?        21.79040 9.873827 ?              ?        
1 1 1 0   43 28 o 19.12861 8.242537 10.83744       28.00784 0.000000       0.000000 10.83744       28.00784 ?        ?        19.12861 8.242537 ?              ?        
1 1 1 0   43 29 o 22.13779 8.779158 27.04301       28.32083 0.000000       0.000000 27.04301       28.32083 ?        ?        22.13779 8.779158 ?              ?        
1 1 1 0   44 0  o 20.84852 9.037247 2.987000       34.06823 0.000000       0.000000 2.987000       34.06823 ?        ?        20.84852 9.037247 ?              ?        
1 1 1 0   44 1  o 67.96745 4.271199 238.7098       28.27194 0.000000       0.000000 238.7098       28.27194 ?        ?        67.96745 4.271199 ?              ?        
1 1 1 0   44 2  o 55.23717 4.201910 157.6642       22.54828 0.000000       0.000000 157.6642       22.54828 ?        ?        55.23717 4.201910 ?              ?        
1 1 1 0   44 3  o 44.45490 5.770784 107.2068       24.51877 0.000000       0.000000 107.2068       24.51877 ?        ?        44.45490 5.770784 ?              ?        
1 1 1 0   44 4  o 28.41683 6.973969 46.57278       19.25115 0.000000       0.000000 46.57278       19.25115 ?        ?        28.41683 6.973969 ?              ?        
1 1 1 0   44 5  o 48.48861 4.592384 122.9627       21.53660 0.000000       0.000000 122.9627       21.53660 ?        ?        48.48861 4.592384 ?              ?        
1 1 1 0   44 6  f 26.04414 7.257018 39.58725       19.18673 0.000000       0.000000 39.58725       19.18673 ?        ?        26.04414 7.257018 ?              ?        
1 1 1 0   44 7  o 29.98265 8.136629 54.27814       24.48361 0.000000       0.000000 54.27814       24.48361 ?        ?        29.98265 8.136629 ?              ?        
1 1 1 0   44 8  o 24.36414 8.341969 34.92025       23.94635 0.000000       0.000000 34.92025       23.94635 ?        ?        24.36414 8.341969 ?              ?        
1 1 1 0   44 9  o 21.98251 7.309937 27.32190       18.38745 0.000000       0.000000 27.32190       18.38745 ?        ?        21.98251 7.309937 ?              ?        
1 1 1 0   44 10 o 38.89072 6.101339 83.36034       22.46261 0.000000       0.000000 83.36034       22.46261 ?        ?        38.89072 6.101339 ?              ?        
1 1 1 0   44 11 o 17.23488 6.821933 12.05131       17.07064 0.000000       0.000000 12.05131       17.07064 ?        ?        17.23488 6.821933 ?              ?        
1 1 1 0   44 12 o 29.59081 6.278479 49.15491       17.62138 0.000000       0.000000 49.15491       17.62138 ?        ?        29.59081 6.278479 ?              ?        
1 1 1 0   44 13 o 16.41959 6.709311 8.872869       17.08510 0.000000       0.000000 8.872869       17.08510 ?        ?        16.41959 6.709311 ?              ?        
1 1 1 0   44 14 o 28.99209 6.120871 46.97863       16.82389 0.000000       0.000000 46.97863       16.82389 ?        ?        28.99209 6.120871 ?              ?        
1 1 1 0   44 15 o 43.51349 7.090462 107.9393       29.16092 0.000000       0.000000 107.9393       29.16092 ?        ?        43.51349 7.090462 ?              ?        
1 1 1 0   44 16 o 43.86554 4.972726 102.0753       20.97507 0.000000       0.000000 102.0753       20.97507 ?        ?        43.86554 4.972726 ?              ?        
1 1 1 0   44 17 o 31.20564 9.500712 63.27721       31.62025 0.000000       0.000000 63.27721       31.62025 ?        ?        31.20564 9.500712 ?              ?        
1 1 1 0   44 18 o 24.00798 9.208842 33.11161       30.33495 0.000000       0.000000 33.11161       30.33495 ?        ?        24.00798 9.208842 ?              ?        
1 1 1 0   44 19 o 26.22429 9.441973 43.11579       30.94433 0.000000       0.000000 43.11579       30.94433 ?        ?        26.22429 9.441973 ?              ?        
1 1 1 0   44 20 o 17.86880 8.033670 -1.251006      29.37925 0.000000       0.000000 -1.251006      29.37925 ?        ?        17.86880 8.033670 ?              ?        
1 1 1 0   44 21 o 41.53772 8.410833 105.0653       33.02276 0.000000       0.000000 105.0653       33.02276 ?        ?        41.53772 8.410833 ?              ?        
1 1 1 0   44 22 o 27.33318 9.484310 48.58989       30.98995 0.000000       0.000000 48.58989       30.98995 ?        ?        27.33318 9.484310 ?              ?        
1 1 1 0   44 23 o 17.29135 8.235723 -25.62000      38.41194 0.000000       0.000000 -25.62000      38.41194 ?        ?        17.29135 8.235723 ?              ?        
1 1 1 0   44 24 o 16.62579 7.692628 -9.937782      29.54896 0.000000       0.000000 -9.937782      29.54896 ?        ?        16.62579 7.692628 ?              ?        
1 1 1 0   44 25 o 19.45697 9.136042 -11.99000      44.20491 0.000000       0.000000 -11.99000      44.20491 ?        ?        19.45697 9.136042 ?              ?        
1 1 1 0   44 26 o 38.09751 8.955389 93.98698       32.82833 0.000000       0.000000 93.98698       32.82833 ?        ?        38.09751 8.955389 ?              ?        
1 1 1 0   44 27 o 16.33239 7.569870 -9.393007      28.79743 0.000000       0.000000 -9.393007      28.79743 ?        ?        16.33239 7.569870 ?              ?        
1 1 1 0   45 1  o 15.18302 6.791028 -2.795915      20.69898 0.000000       0.000000 -2.795915      20.69898 ?        ?        15.18302 6.791028 ?              ?        
1 1 1 0   45 2  o 22.15523 8.012858 27.38447       22.31648 0.000000       0.000000 27.38447       22.31648 ?        ?        22.15523 8.012858 ?              ?        
1 1 1 0   45 3  o 26.33005 7.220147 40.61034       19.16230 0.000000       0.000000 40.61034       19.16230 ?        ?        26.33005 7.220147 ?              ?        
1 1 1 0   45 4  o 18.71650 7.194502 16.46684       18.54262 0.000000       0.000000 16.46684       18.54262 ?        ?        18.71650 7.194502 ?              ?        
1 1 1 0   45 5  o 37.27259 5.695753 75.77314       20.12153 0.000000       0.000000 75.77314       20.12153 ?        ?        37.27259 5.695753 ?              ?        
1 1 1 0   45 6  o 22.34458 7.404298 28.60846       18.86934 0.000000       0.000000 28.60846       18.86934 ?        ?        22.34458 7.404298 ?              ?        
1 1 1 0   45 7  o 36.17303 5.798792 71.72135       19.83844 0.000000       0.000000 71.72135       19.83844 ?        ?        36.17303 5.798792 ?              ?        
1 1 1 0   45 8  o 22.90892 7.324701 30.36052       18.55256 0.000000       0.000000 30.36052       18.55256 ?        ?        22.90892 7.324701 ?              ?        
1 1 1 0   45 9  o 21.51237 8.184052 24.38885       23.83142 0.000000       0.000000 24.38885       23.83142 ?        ?        21.51237 8.184052 ?              ?        
1 1 1 0   45 10 o 30.33156 9.205190 58.87000       29.71581 0.000000       0.000000 58.87000       29.71581 ?        ?        30.33156 9.205190 ?              ?        
1 1 1 0   45 11 o 19.23543 7.378392 17.88896       19.47438 0.000000       0.000000 17.88896       19.47438 ?        ?        19.23543 7.378392 ?              ?        
1 1 1 0   45 12 o 26.47704 6.779055 40.56488       17.64264 0.000000       0.000000 40.56488       17.64264 ?        ?        26.47704 6.779055 ?              ?        
1 1 1 0   45 13 o 22.36572 7.362281 28.90071       18.66577 0.000000       0.000000 28.90071       18.66577 ?        ?        22.36572 7.362281 ?              ?        
1 1 1 0   45 14 o 34.49258 6.078898 66.24570       19.77414 0.000000       0.000000 66.24570       19.77414 ?        ?        34.49258 6.078898 ?              ?        
1 1 1 0   45 15 o 27.71423 8.115396 47.05914       23.41957 0.000000       0.000000 47.05914       23.41957 ?        ?        27.71423 8.115396 ?              ?        
1 1 1 0   45 16 o 32.54391 6.230819 59.47361       19.12558 0.000000       0.000000 59.47361       19.12558 ?        ?        32.54391 6.230819 ?              ?        
1 1 1 0   45 17 o 20.62190 8.717721 16.05759       30.27962 0.000000       0.000000 16.05759       30.27962 ?        ?        20.62190 8.717721 ?              ?        
1 1 1 0   45 18 o 23.63661 9.164971 32.41030       30.28097 0.000000       0.000000 32.41030       30.28097 ?        ?        23.63661 9.164971 ?              ?        
1 1 1 0   45 19 o 20.81372 8.727035 18.12626       29.95208 0.000000       0.000000 18.12626       29.95208 ?        ?        20.81372 8.727035 ?              ?        
1 1 1 0   45 20 o 18.20618 8.131644 2.402843       29.56602 0.000000       0.000000 2.402843       29.56602 ?        ?        18.20618 8.131644 ?              ?        
1 1 1 0   45 21 o 20.95302 8.732241 19.90671       29.71668 0.000000       0.000000 19.90671       29.71668 ?        ?        20.95302 8.732241 ?              ?        
1 1 1 0   45 22 o 23.84984 9.979209 32.45000       39.03980 0.000000       0.000000 32.45000       39.03980 ?        ?        23.84984 9.979209 ?              ?        
1 1 1 0   45 23 o 21.53682 8.830842 23.94445       29.72668 0.000000       0.000000 23.94445       29.72668 ?        ?        21.53682 8.830842 ?              ?        
1 1 1 0   45 24 o 28.17278 11.22054 61.22000       46.45378 0.000000       0.000000 61.22000       46.45378 ?        ?        28.17278 11.22054 ?              ?        
1 1 1 0   46 0  o 19.50121 8.253641 6.703098       27.19428 0.000000       0.000000 6.703098       27.19428 ?        ?        19.50121 8.253641 ?              ?        
1 1 1 0   46 1  f 16.64796 7.502528 -2.869725      25.79528 0.000000       0.000000 -2.869725      25.79528 ?        ?        16.64796 7.502528 ?              ?        
1 1 1 0   46 2  o 18.62973 7.539249 14.29230       21.32877 0.000000       0.000000 14.29230       21.32877 ?        ?        18.62973 7.539249 ?              ?        
1 1 1 0   46 3  o 25.67222 7.368178 39.16801       19.48274 0.000000       0.000000 39.16801       19.48274 ?        ?        25.67222 7.368178 ?              ?        
1 1 1 0   46 4  o 32.55312 6.449326 60.12393       19.82321 0.000000       0.000000 60.12393       19.82321 ?        ?        32.55312 6.449326 ?              ?        
1 1 1 0   46 5  o 11.83089 5.634960 -18.39884      17.98242 0.000000       0.000000 -18.39884      17.98242 ?        ?        11.83089 5.634960 ?              ?        
1 1 1 0   46 6  o 28.43638 6.925077 47.14618       19.09340 0.000000       0.000000 47.14618       19.09340 ?        ?        28.43638 6.925077 ?              ?        
1 1 1 0   46 7  o 24.03215 7.288868 34.08185       18.63526 0.000000       0.000000 34.08185       18.63526 ?        ?        24.03215 7.288868 ?              ?        
1 1 1 0   46 8  o 28.33963 6.789402 46.58781       18.58618 0.000000       0.000000 46.58781       18.58618 ?        ?        28.33963 6.789402 ?              ?        
1 1 1 0   46 9  o 15.90713 7.138291 -2.474534      23.07459 0.000000       0.000000 -2.474534      23.07459 ?        ?        15.90713 7.138291 ?              ?        
1 1 1 0   46 10 o 15.57303 6.733170 3.166506       18.81378 0.000000       0.000000 3.166506       18.81378 ?        ?        15.57303 6.733170 ?              ?        
1 1 1 0   46 11 o 13.25159 6.152297 -11.16102      19.14370 0.000000       0.000000 -11.16102      19.14370 ?        ?        13.25159 6.152297 ?              ?        
1 1 1 0   46 12 o 17.51356 7.086049 12.08624       18.83711 0.000000       0.000000 12.08624       18.83711 ?        ?        17.51356 7.086049 ?              ?        
1 1 1 0   46 13 o 30.24478 6.867908 53.35300       19.86645 0.000000       0.000000 53.35300       19.86645 ?        ?        30.24478 6.867908 ?              ?        
1 1 1 0   46 14 o 27.47902 7.526567 45.66918       20.83701 0.000000       0.000000 45.66918       20.83701 ?        ?        27.47902 7.526567 ?              ?        
1 1 1 0   46 15 o 30.71058 8.054808 58.44736       24.50816 0.000000       0.000000 58.44736       24.50816 ?        ?        30.71058 8.054808 ?              ?        
1 1 1 0   46 16 o 25.18387 9.405040 40.61847       31.14802 0.000000       0.000000 40.61847       31.14802 ?        ?        25.18387 9.405040 ?              ?        
1 1 1 0   46 17 o 27.96791 9.663019 53.46834       32.15406 0.000000       0.000000 53.46834       32.15406 ?        ?        27.96791 9.663019 ?              ?        
1 1 1 0   46 18 o 27.61538 9.507847 52.00064       31.11984 0.000000       0.000000 52.00064       31.11984 ?        ?        27.61538 9.507847 ?              ?        
1 1 1 0   46 19 o 15.05528 7.155460 -20.69203      28.68629 0.000000       0.000000 -20.69203      28.68629 ?        ?        15.05528 7.155460 ?              ?        
1 1 1 0   46 20 o 32.82836 11.12115 83.62000       42.54307 0.000000       0.000000 83.62000       42.54307 ?        ?        32.82836 11.12115 ?              ?        
1 1 1 0   47 1  o 18.90994 7.215435 17.90427       18.55899 0.000000       0.000000 17.90427       18.55899 ?        ?        18.90994 7.215435 ?              ?        
1 1 1 0   47 2  o 16.23262 7.023582 4.342029       20.50217 0.000000       0.000000 4.342029       20.50217 ?        ?        16.23262 7.023582 ?              ?        
1 1 1 0   47 3  o 15.74818 6.912785 1.799530       20.47885 0.000000       0.000000 1.799530       20.47885 ?        ?        15.74818 6.912785 ?              ?        
1 1 1 0   47 4  f 30.25468 6.722826 53.19170       19.39223 0.000000       0.000000 53.19170       19.39223 ?        ?        30.25468 6.722826 ?              ?        
1 1 1 0   47 5  f 48.68309 4.460286 124.7707       21.01837 0.000000       0.000000 124.7707       21.01837 ?        ?        48.68309 4.460286 ?              ?        
1 1 1 0   47 6  o 14.11757 6.294858 -1.895595      17.63951 0.000000       0.000000 -1.895595      17.63951 ?        ?        14.11757 6.294858 ?              ?        
1 1 1 0   47 7  o 18.45679 7.057285 16.84855       17.77850 0.000000       0.000000 16.84855       17.77850 ?        ?        18.45679 7.057285 ?              ?        
1 1 1 0   47 8  o 39.19520 5.784363 85.14484       21.52582 0.000000       0.000000 85.14484       21.52582 ?        ?        39.19520 5.784363 ?              ?        
1 1 1 0   47 9  o 38.07456 5.469584 79.54222       19.79990 0.000000       0.000000 79.54222       19.79990 ?        ?        38.07456 5.469584 ?              ?        
1 1 1 0   47 10 o 13.66479 6.104634 -2.218253      16.67295 0.000000       0.000000 -2.218253      16.67295 ?        ?        13.66479 6.104634 ?              ?        
1 1 1 0   47 11 o 20.89231 8.104287 23.69287       23.68514 0.000000       0.000000 23.69287       23.68514 ?        ?        20.89231 8.104287 ?              ?        
1 1 1 0   47 12 o 10.82109 5.210343 -20.10272      16.31890 0.000000       0.000000 -20.10272      16.31890 ?        ?        10.82109 5.210343 ?              ?        
1 1 1 0   47 13 o 22.84346 7.051302 31.23423       17.34214 0.000000       0.000000 31.23423       17.34214 ?        ?        22.84346 7.051302 ?              ?        
1 1 1 0   47 14 o 43.76627 5.369619 105.1469       22.52182 0.000000       0.000000 105.1469       22.52182 ?        ?        43.76627 5.369619 ?              ?        
1 1 1 0   47 15 o 15.85042 7.412005 -12.60156      28.59317 0.000000       0.000000 -12.60156      28.59317 ?        ?        15.85042 7.412005 ?              ?        
1 1 1 0   47 16 o 16.85195 7.757370 -5.710626      29.49804 0.000000       0.000000 -5.710626      29.49804 ?        ?        16.85195 7.757370 ?              ?        
1 1 1 0   48 0  o 19.61986 8.109365 11.08754       25.33219 0.000000       0.000000 11.08754       25.33219 ?        ?        19.61986 8.109365 ?              ?        
1 1 1 0   48 1  o 30.86931 7.699831 59.02620       23.18680 0.000000       0.000000 59.02620       23.18680 ?        ?        30.86931 7.699831 ?              ?        
1 1 1 0   48 2  o 28.86495 6.841032 49.54702       19.03136 0.000000       0.000000 49.54702       19.03136 ?        ?        28.86495 6.841032 ?              ?        
1 1 1 0   48 3  o 15.78986 6.897819 3.417492       20.17386 0.000000       0.000000 3.417492       20.17386 ?        ?        15.78986 6.897819 ?              ?        
1 1 1 0   48 4  o 17.12684 6.892460 12.51598       17.71665 0.000000       0.000000 12.51598       17.71665 ?        ?        17.12684 6.892460 ?              ?        
1 1 1 0   48 5  o 26.59283 6.989270 42.64334       18.42803 0.000000       0.000000 42.64334       18.42803 ?        ?        26.59283 6.989270 ?              ?        
1 1 1 0   48 6  o 35.33598 5.807291 70.28938       19.38900 0.000000       0.000000 70.28938       19.38900 ?        ?        35.33598 5.807291 ?              ?        
1 1 1 0   48 7  o 14.73573 6.535819 0.2119221      18.76205 0.000000       0.000000 0.2119221      18.76205 ?        ?        14.73573 6.535819 ?              ?        
1 1 1 0   48 8  o 12.96861 5.974772 -7.737147      17.55045 0.000000       0.000000 -7.737147      17.55045 ?        ?        12.96861 5.974772 ?              ?        
1 1 1 0   48 9  o 13.97935 6.438678 -7.773696      20.36203 0.000000       0.000000 -7.773696      20.36203 ?        ?        13.97935 6.438678 ?              ?        
1 1 1 0   48 10 o 17.78395 7.914542 4.722294       27.74792 0.000000       0.000000 4.722294       27.74792 ?        ?        17.78395 7.914542 ?              ?        
1 1 1 1   0  0  o 164.2321 6.953825 1328.000       111.3292 1328.000       111.3292 1328.000       111.3292 164.2321 6.953825 164.2321 6.953825 0.000000       0.000000 
1 1 1 1   0  1  o 132.2338 5.965077 861.4000       76.84966 861.4000       76.84966 861.4000       76.84966 132.2338 5.965077 132.2338 5.965077 0.000000       0.000000 
1 1 1 1   0  2  o 330.1664 8.918448 5352.488       287.7475 5352.488       287.7475 5352.488       287.7475 330.1664 8.918448 330.1664 8.918448 0.000000       0.000000 
1 1 1 1   0  3  o 472.7209 12.54169 10982.96       579.3962 10982.96       579.3962 10982.96       579.3962 472.7209 12.54169 472.7209 12.54169 0.000000       0.000000 
1 1 1 1   0  4  o 141.9014 4.441607 988.6390       61.55563 988.6390       61.55563 988.6390       61.55563 141.9014 4.441607 141.9014 4.441607 0.000000       0.000000 
1 1 1 1   0  5  o 163.1336 4.909579 1306.413       78.23518 1306.413       78.23518 1306.413       78.23518 163.1336 4.909579 163.1336 4.909579 0.000000       0.000000 
1 1 1 1   0  6  o 189.5149 5.520698 1762.962       102.2135 1762.962       102.2135 1762.962       102.2135 189.5149 5.520698 189.5149 5.520698 0.000000       0.000000 
1 1 1 1   0  7  o 358.0910 9.635512 6297.645       337.1810 6297.645       337.1810 6297.645       337.1810 358.0910 9.635512 358.0910 9.635512 0.000000       0.000000 
1 1 1 1   0  8  f 418.0743 11.16140 8589.843       456.0140 8589.843       456.0140 8589.843       456.0140 418.0743 11.16140 418.0743 11.16140 0.000000       0.000000 
1 1 1 1   0  9  o 171.9330 5.162682 1451.418       86.70678 1451.418       86.70678 1451.418       86.70678 171.9330 5.162682 171.9330 5.162682 0.000000       0.000000 
1 1 1 1   0  10 o 257.3493 7.161967 3252.986       180.0944 3252.986       180.0944 3252.986       180.0944 257.3493 7.161967 257.3493 7.161967 0.000000       0.000000 
1 1 1 1   0  11 o 221.6044 6.315648 2411.887       136.7426 2411.887       136.7426 2411.887       136.7426 221.6044 6.315648 221.6044 6.315648 0.000000       0.000000 
1 1 1 1   0  12 o 330.3806 8.967399 5364.357       289.5098 5364.357       289.5098 5364.357       289.5098 330.3806 8.967399 330.3806 8.967399 0.000000       0.000000 
1 1 1 1   0  13 o 103.4386 4.029814 526.1948       40.66038 526.1948       40.66038 526.1948       40.66038 103.4386 4.029814 103.4386 4.029814 0.000000       0.000000 
1 1 1 1   0  14 o 304.0208 8.324526 4538.339       247.3046 4538.339       247.3046 4538.339       247.3046 304.0208 8.324526 304.0208 8.324526 0.000000       0.000000 
1 1 1 1   0  15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  16 f 544.7231 14.41769 14586.06       767.5198 14586.06       767.5198 14586.06       767.5198 544.7231 14.41769 544.7231 14.41769 0.000000       0.000000 
1 1 1 1   0  17 o 372.3400 10.03411 6807.644       365.0993 6807.644       365.0993 6807.644       365.0993 372.3400 10.03411 372.3400 10.03411 0.000000       0.000000 
1 1 1 1   0  18 o 261.5598 7.328406 3358.286       187.2902 3358.286       187.2902 3358.286       187.2902 261.5598 7.328406 261.5598 7.328406 0.000000       0.000000 
1 1 1 1   0  19 o 305.7369 11.93472 4604.000       355.9245 4604.000       355.9245 4604.000       355.9245 305.7369 11.93472 305.7369 11.93472 0.000000       0.000000 
1 1 1 1   0  20 o 440.9160 16.75207 9593.000       720.6138 9593.000       720.6138 9593.000       720.6138 440.9160 16.75207 440.9160 16.75207 0.000000       0.000000 
1 1 1 1   0  21 o 145.9959 4.946762 1047.176       70.50746 1047.176       70.50746 1047.176       70.50746 145.9959 4.946762 145.9959 4.946762 0.000000       0.000000 
1 1 1 1   0  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  23 o 308.5580 12.05732 4696.000       362.8961 4696.000       362.8961 4696.000       362.8961 308.5580 12.05732 308.5580 12.05732 0.000000       0.000000 
1 1 1 1   0  24 o 180.6925 5.573588 1603.778       98.36575 1603.778       98.36575 1603.778       98.36575 180.6925 5.573588 180.6925 5.573588 0.000000       0.000000 
1 1 1 1   0  25 o 169.8909 5.390216 1418.093       89.43151 1418.093       89.43151 1418.093       89.43151 169.8909 5.390216 169.8909 5.390216 0.000000       0.000000 
1 1 1 1   0  26 o 206.3243 8.753782 2100.000       176.0622 2100.000       176.0622 2100.000       176.0622 206.3243 8.753782 206.3243 8.753782 0.000000       0.000000 
1 1 1 1   0  27 o 117.6995 4.639487 681.6895       53.26136 681.6895       53.26136 681.6895       53.26136 117.6995 4.639487 117.6995 4.639487 0.000000       0.000000 
1 1 1 1   0  28 o 264.6214 7.459731 3443.144       192.8738 3443.144       192.8738 3443.144       192.8738 264.6214 7.459731 264.6214 7.459731 0.000000       0.000000 
1 1 1 1   0  29 o 96.79621 4.624849 462.1269       43.59005 462.1269       43.59005 462.1269       43.59005 96.79621 4.624849 96.79621 4.624849 0.000000       0.000000 
1 1 1 1   0  30 o 110.2051 4.632305 598.1588       49.76827 598.1588       49.76827 598.1588       49.76827 110.2051 4.632305 110.2051 4.632305 0.000000       0.000000 
1 1 1 1   0  31 o 257.4114 7.309081 3259.668       183.8248 3259.668       183.8248 3259.668       183.8248 257.4114 7.309081 257.4114 7.309081 0.000000       0.000000 
1 1 1 1   0  32 o 181.0616 5.677525 1612.144       100.3975 1612.144       100.3975 1612.144       100.3975 181.0616 5.677525 181.0616 5.677525 0.000000       0.000000 
1 1 1 1   0  33 o 210.4458 6.291743 2178.700       129.3414 2178.700       129.3414 2178.700       129.3414 210.4458 6.291743 210.4458 6.291743 0.000000       0.000000 
1 1 1 1   0  34 o 151.6299 5.253125 1131.537       77.75424 1131.537       77.75424 1131.537       77.75424 151.6299 5.253125 151.6299 5.253125 0.000000       0.000000 
1 1 1 1   0  35 o 123.7943 4.955297 755.1527       59.82591 755.1527       59.82591 755.1527       59.82591 123.7943 4.955297 123.7943 4.955297 0.000000       0.000000 
1 1 1 1   0  36 o 137.9626 5.106431 937.7507       68.74334 937.7507       68.74334 937.7507       68.74334 137.9626 5.106431 137.9626 5.106431 0.000000       0.000000 
1 1 1 1   0  37 o 92.94484 5.000665 427.6845       45.19172 427.6845       45.19172 427.6845       45.19172 92.94484 5.000665 92.94484 5.000665 0.000000       0.000000 
1 1 1 1   0  38 o 133.3374 7.361972 884.7000       95.40993 884.7000       95.40993 884.7000       95.40993 133.3374 7.361972 133.3374 7.361972 0.000000       0.000000 
1 1 1 1   0  39 o 80.38278 7.833129 328.3000       60.19651 328.3000       60.19651 328.3000       60.19651 80.38278 7.833129 80.38278 7.833129 0.000000       0.000000 
1 1 1 1   0  40 o 243.2435 7.125106 2932.392       169.3146 2932.392       169.3146 2932.392       169.3146 243.2435 7.125106 243.2435 7.125106 0.000000       0.000000 
1 1 1 1   0  41 o 66.24732 8.573792 228.7000       53.03460 228.7000       53.03460 228.7000       53.03460 66.24732 8.573792 66.24732 8.573792 0.000000       0.000000 
1 1 1 1   0  42 o 49.39068 7.780879 129.5835       34.82874 129.5835       34.82874 129.5835       34.82874 49.39068 7.780879 49.39068 7.780879 0.000000       0.000000 
1 1 1 1   0  43 f 23.92390 11.62731 42.73973       31.92377 42.73973       31.92377 42.73973       31.92377 23.92390 11.62731 23.92390 11.62731 0.000000       0.000000 
1 1 1 1   0  44 o 173.9634 5.764441 1502.013       97.91255 1502.013       97.91255 1502.013       97.91255 173.9634 5.764441 173.9634 5.764441 0.000000       0.000000 
1 1 1 1   0  45 o 53.39893 10.85920 160.2000       50.22982 160.2000       50.22982 160.2000       50.22982 53.39893 10.85920 53.39893 10.85920 0.000000       0.000000 
1 1 1 1   0  46 o 91.47559 5.177369 417.6614       46.01525 417.6614       46.01525 417.6614       46.01525 91.47559 5.177369 91.47559 5.177369 0.000000       0.000000 
1 1 1 1   0  47 o 121.2715 5.173419 732.2119       61.15562 732.2119       61.15562 732.2119       61.15562 121.2715 5.173419 121.2715 5.173419 0.000000       0.000000 
1 1 1 1   0  48 o 99.65694 5.188855 496.6085       50.30063 496.6085       50.30063 496.6085       50.30063 99.65694 5.188855 99.65694 5.188855 0.000000       0.000000 
1 1 1 1   0  49 o 33.36346 11.35571 73.83779       33.24265 73.83779       33.24265 73.83779       33.24265 33.36346 11.35571 33.36346 11.35571 0.000000       0.000000 
1 1 1 1   0  50 o 24.15857 11.37005 44.75518       30.25839 44.75518       30.25839 44.75518       30.25839 24.15857 11.37005 24.15857 11.37005 0.000000       0.000000 
1 1 1 1   0  51 o 37.64448 9.672754 84.91082       30.80349 84.91082       30.80349 84.91082       30.80349 37.64448 9.672754 37.64448 9.672754 0.000000       0.000000 
1 1 1 1   0  52 o 17.87782 10.12707 23.09850       27.32289 23.09850       27.32289 23.09850       27.32289 17.87782 10.12707 17.87782 10.12707 0.000000       0.000000 
1 1 1 1   0  53 o 45.98708 10.36945 124.3000       40.72356 124.3000       40.72356 124.3000       40.72356 45.98708 10.36945 45.98708 10.36945 0.000000       0.000000 
1 1 1 1   0  54 o 14.37882 9.368017 0.7853000      31.97510 0.7853000      31.97510 0.7853000      31.97510 14.37882 9.368017 14.37882 9.368017 0.000000       0.000000 
1 1 1 1   0  55 o 18.36100 11.50456 16.70000       42.78104 16.70000       42.78104 16.70000       42.78104 18.36100 11.50456 18.36100 11.50456 0.000000       0.000000 
1 1 1 1   0  56 o 42.59694 7.758109 101.1027       29.17246 101.1027       29.17246 101.1027       29.17246 42.59694 7.758109 42.59694 7.758109 0.000000       0.000000 
1 1 1 1   0  57 o 21.79465 11.59981 38.55000       33.50654 38.55000       33.50654 38.55000       33.50654 21.79465 11.59981 21.79465 11.59981 0.000000       0.000000 
1 1 1 1   0  58 f 49.35067 6.792457 130.4448       31.04558 130.4448       31.04558 130.4448       31.04558 49.35067 6.792457 49.35067 6.792457 0.000000       0.000000 
1 1 1 1   0  59 o 50.05716 6.968820 134.6729       32.25459 134.6729       32.25459 134.6729       32.25459 50.05716 6.968820 50.05716 6.968820 0.000000       0.000000 
1 1 1 1   0  60 o 20.54403 10.69827 34.02522       28.01839 34.02522       28.01839 34.02522       28.01839 20.54403 10.69827 20.54403 10.69827 0.000000       0.000000 
1 1 1 1   0  61 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   0  62 o 15.52704 9.497212 14.02606       27.48998 14.02606       27.48998 14.02606       27.48998 15.52704 9.497212 15.52704 9.497212 0.000000       0.000000 
1 1 1 1   0  63 o 12.50691 8.258901 -1.938020      26.13833 -1.938020      26.13833 -1.938020      26.13833 12.50691 8.258901 12.50691 8.258901 0.000000       0.000000 
1 1 1 1   1  0  o 717.7807 18.97709 25478.29       1332.129 23380.00       1767.159 28240.00       2027.364 684.2397 26.43497 751.4190 27.61102 -67.17932      38.22533 
1 1 1 1   1  1  o 256.4528 5.767303 3221.679       144.7726 3434.000       261.6273 3127.973       173.8080 264.3282 10.13067 252.5425 7.038057 11.78577       12.33550 
1 1 1 1   1  2  o 313.2384 6.933022 4808.295       212.5709 4554.000       353.4653 4952.377       266.0613 304.2296 11.89259 317.6737 8.564274 -13.44415      14.65539 
1 1 1 1   1  3  o 291.5896 5.608420 4164.756       160.0733 4349.000       329.3396 4107.769       183.1639 297.3664 11.33553 289.5475 6.462698 7.818939       13.04840 
1 1 1 1   1  4  o 294.7195 5.664756 4254.711       163.4166 4180.817       228.3551 4332.275       233.9588 291.9144 7.999422 297.1542 8.051034 -5.239746      11.34944 
1 1 1 1   1  5  o 199.3893 4.041623 1946.575       78.87946 1933.587       90.67022 1987.000       159.9592 198.7086 4.661674 201.1500 8.141063 -2.441467      9.381264 
1 1 1 1   1  6  o 503.2271 9.411693 12423.31       463.5941 12133.58       526.6835 13420.00       976.8573 497.1340 10.82356 520.7291 19.19805 -23.59515      22.03893 
1 1 1 1   1  7  o 269.2967 5.231830 3552.081       137.9084 3572.649       195.8222 3531.840       194.2513 269.8655 7.420286 268.3201 7.403205 1.545441       10.48180 
1 1 1 1   1  8  f 316.6261 6.060278 4912.446       187.8216 4848.711       263.2392 4978.540       268.0663 314.2592 8.565675 318.4368 8.608178 -4.177612      12.14378 
1 1 1 1   1  9  o 184.0943 3.823322 1659.630       68.89497 1630.918       96.42452 1689.575       98.47214 182.3617 5.407887 185.6137 5.425797 -3.251953      7.660582 
1 1 1 1   1  10 o 82.01995 2.574813 329.6762       20.64587 321.5206       29.00706 338.0497       29.39208 80.94199 3.670756 83.00327 3.626421 -2.061279      5.159978 
1 1 1 1   1  11 o 288.0338 5.577091 4067.181       157.2380 3968.872       218.6484 4172.477       226.2843 284.1875 7.867799 291.3801 7.941333 -7.192596      11.17887 
1 1 1 1   1  12 f 148.5487 3.326999 1080.556       48.37575 1090.788       68.66983 1070.474       68.16031 149.1361 4.710010 147.7389 4.719414 1.397232       6.667613 
1 1 1 1   1  13 o 423.8681 7.980631 8814.358       331.1115 8803.855       467.6857 8824.913       468.8411 422.9512 11.30700 423.4541 11.32147 -0.5028687     16.00075 
1 1 1 1   1  14 f 291.7356 5.649547 4169.226       161.3278 4160.568       227.8298 4177.932       228.4755 291.1884 8.000959 291.7952 8.006929 -0.6068726     11.31929 
1 1 1 1   1  15 o 286.6933 6.446812 4026.616       180.9126 3807.857       213.2680 4588.000       341.6438 278.6223 7.827702 305.4902 11.44560 -26.86795      13.86632 
1 1 1 1   1  16 f 401.6795 7.585126 7906.625       298.2282 7818.063       418.5004 7998.000       425.0935 399.0259 10.72464 403.5893 10.77028 -4.563416      15.19923 
1 1 1 1   1  17 o 232.0911 4.669927 2637.607       106.0901 2630.781       149.7896 2644.478       150.2797 231.6383 6.613170 232.2407 6.617572 -0.6024323     9.355548 
1 1 1 1   1  18 o 525.9636 11.34992 13581.09       584.3254 13411.05       709.3686 13940.00       1030.578 522.0757 13.89372 530.8129 19.87012 -8.737183      24.24577 
1 1 1 1   1  19 o 287.4805 6.472134 4049.136       182.1219 4007.429       221.5717 4136.000       319.7628 285.8096 7.927770 290.0111 11.28592 -4.201508      13.79208 
1 1 1 1   1  20 o 438.0840 9.529570 9416.833       408.6362 9397.000       706.9844 9426.783       500.7566 436.1820 16.58930 437.8777 11.69382 -1.695679      20.29656 
1 1 1 1   1  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   1  22 o 230.3710 5.394164 2600.288       121.6349 2532.000       206.6245 2636.503       150.4695 226.8825 9.323974 231.8080 6.638370 -4.925491      11.44572 
1 1 1 1   1  23 o 351.7696 6.735325 6068.477       231.9119 6080.070       328.1778 6056.912       327.7684 351.6163 9.544120 350.9444 9.550509 0.6719055      13.50194 
1 1 1 1   1  24 o 220.6767 5.220374 2386.786       112.7624 2368.615       137.5646 2424.000       196.8668 219.6628 6.404837 221.8844 9.083614 -2.221619      11.11458 
1 1 1 1   1  25 o 94.97075 3.731105 442.4786       34.61686 430.9000       59.83015 448.3052       42.44230 93.47899 6.580881 95.53986 4.551545 -2.060867      8.001534 
1 1 1 1   1  26 o 265.2158 5.254921 3448.952       136.4180 3436.473       192.5051 3461.540       193.3461 264.3832 7.446204 265.3456 7.451567 -0.9623718     10.53432 
1 1 1 1   1  27 f 346.1492 7.681513 5890.061       260.2653 5768.000       443.9562 5953.977       321.2610 340.7861 13.33494 347.5029 9.453591 -6.716797      16.34598 
1 1 1 1   1  28 o 183.6105 3.989307 1652.137       71.69704 1667.921       102.1716 1636.824       100.6357 184.2746 5.671208 182.5509 5.638752 1.723724       7.997382 
1 1 1 1   1  29 o 200.7416 4.242398 1975.407       83.35947 1971.295       117.8818 1979.520       117.8944 200.2783 6.020049 200.6977 6.008050 -0.4194183     8.505155 
1 1 1 1   1  30 o 157.2196 3.660708 1211.306       56.33497 1217.892       79.78841 1204.758       79.55148 157.4592 5.183917 156.6055 5.196810 0.8536682      7.340288 
1 1 1 1   1  31 o 116.6488 3.846659 667.6887       43.86074 627.2000       74.68498 689.0048       54.19011 112.7323 6.799901 118.4245 4.684140 -5.692192      8.257107 
1 1 1 1   1  32 o 287.4329 5.661311 4058.349       159.2794 4069.572       225.5657 4047.187       224.9458 287.1860 8.032124 286.3944 8.032230 0.7915344      11.35921 
1 1 1 1   1  33 f 107.1211 3.392450 562.9797       35.52604 563.3113       50.04678 562.6428       50.43834 107.0226 4.789566 106.9545 4.830341 0.6811523E-01  6.802362 
1 1 1 1   1  34 o 166.4493 3.851691 1358.877       62.75374 1417.161       90.82323 1305.634       86.80730 169.7074 5.474680 162.8892 5.452179 6.818115       7.726473 
1 1 1 1   1  35 o 150.1619 3.690223 1106.077       54.23988 1127.697       77.44106 1085.258       75.99298 151.3590 5.234931 148.4799 5.236972 2.879135       7.404754 
1 1 1 1   1  36 o 124.7366 3.514624 763.9645       42.86924 770.3898       60.77978 757.6038       60.47390 125.0579 4.975185 124.0114 4.992160 1.046494       7.047987 
1 1 1 1   1  37 o 117.1608 4.022525 675.1620       46.06199 645.4410       55.22588 743.1000       83.49618 114.4035 4.943372 122.3191 7.003010 -7.915627      8.571994 
1 1 1 1   1  38 o 137.3841 4.180868 929.2161       56.15693 964.5641       69.62263 863.4000       95.00234 139.7763 5.097282 131.5917 7.405522 8.184586       8.990220 
1 1 1 1   1  39 o 96.91969 4.093327 463.1733       38.74501 494.1000       69.22521 449.0660       46.75404 99.36359 7.165684 95.24774 5.032713 4.115852       8.756439 
1 1 1 1   1  40 o 36.51080 9.100555 69.96607       32.40699 0.000000       0.000000 69.96607       32.40699 ?        ?        36.51080 9.100555 ?              ?        
1 1 1 1   1  41 o 144.1424 3.697572 1024.033       52.12617 964.3134       72.08369 1089.491       75.46777 139.3597 5.294000 148.1731 5.211498 -8.813385      7.428738 
1 1 1 1   1  42 o 79.69078 4.361698 314.8677       33.89307 311.3059       41.59991 321.9000       58.45366 78.96310 5.415005 79.55743 7.598484 -0.5943298     9.330554 
1 1 1 1   1  43 o 84.87566 4.318354 357.3694       35.75839 366.1368       43.86435 340.0000       61.74034 85.63824 5.258195 81.54053 7.831702 4.097702       9.433143 
1 1 1 1   1  44 o 61.57846 4.337991 188.7614       25.97979 181.9339       29.62448 211.5000       54.06320 60.26329 5.069121 63.57831 8.933418 -3.315022      10.27141 
1 1 1 1   1  45 o 42.50693 5.855390 92.13152       23.71594 89.67110       27.13137 100.1000       48.82653 41.61174 6.902939 42.52995 11.46859 -0.9182053     13.38578 
1 1 1 1   1  46 o 32.19896 8.506122 55.50241       27.20493 84.21166       33.90019 3.566000       45.59604 39.55409 8.963949 24.46600 10.52936 15.08809       13.82823 
1 1 1 1   1  47 o 74.88843 3.908720 278.9508       28.55286 307.7950       41.57290 253.1953       39.28394 78.08770 5.473698 70.68610 5.726731 7.401596       7.921920 
1 1 1 1   1  48 o 64.30528 4.340310 207.1644       27.15951 205.2699       38.62444 209.0172       38.19781 63.20268 6.328420 63.84660 6.189720 -0.6439133     8.852205 
1 1 1 1   1  49 o 64.64214 4.243765 209.6551       26.70329 224.5089       38.29616 195.5990       37.25372 66.12267 5.981589 61.54329 6.271738 4.579376       8.666840 
1 1 1 1   1  50 o 39.35037 5.892227 80.56517       21.99792 64.75790       30.84781 96.92099       31.37849 34.03588 9.088442 42.35156 7.858581 -8.315674      12.01487 
1 1 1 1   1  51 o 48.78967 4.839607 121.1991       22.80806 99.15253       31.44420 145.6773       33.13295 42.78658 7.795150 52.72991 6.560946 -9.943325      10.18874 
1 1 1 1   1  52 o 72.90565 4.170466 267.2993       29.63715 244.9864       36.12952 313.2000       51.81962 69.17432 5.378170 77.18209 6.932961 -8.007767      8.774432 
1 1 1 1   1  53 o 51.07248 4.357691 132.1523       21.57670 131.1332       29.70975 133.2897       31.38746 50.02918 6.199485 50.26665 6.533713 -0.2374725     9.006832 
1 1 1 1   1  54 o 32.27680 8.399549 58.67865       26.78864 23.43000       32.56923 132.4000       47.10130 23.84682 9.428025 47.43772 10.42857 -23.59090      14.05855 
1 1 1 1   1  55 o 33.97606 6.895272 62.91598       22.14687 64.44000       34.18110 61.81324       29.07549 33.04901 9.837457 32.76804 8.856011 0.2809715      13.23648 
1 1 1 1   1  56 o 18.48722 7.680388 8.426943       22.88489 -54.01000      45.33619 29.77601       26.51024 17.81009 8.602598 24.09132 8.730547 -6.281235      12.25672 
1 1 1 1   1  57 o 23.26913 7.514779 29.19171       19.49381 37.26474       28.59077 22.17831       26.64843 26.13402 9.107319 22.31733 8.612725 3.816692       12.53484 
1 1 1 1   1  58 o 51.63751 6.393644 142.1653       31.62642 142.1653       31.62642 0.000000       0.000000 51.63751 6.393644 ?        ?        ?              ?        
1 1 1 1   1  59 o 41.92900 5.343901 91.94579       21.43434 87.45165       30.37823 96.40136       30.24765 39.29423 8.165131 41.60004 7.712255 -2.305805      11.23157 
1 1 1 1   1  60 o 29.83099 7.193741 49.70484       20.75955 55.79344       29.46358 43.70239       29.25442 30.77761 9.126482 27.59625 9.221422 3.181360       12.97410 
1 1 1 1   1  61 o 22.01847 7.496706 25.70185       19.33425 55.62387       27.42770 -3.852338      27.25859 30.83181 8.707495 17.52152 7.818080 13.31030       11.70226 
1 1 1 1   1  62 o 39.21505 5.588890 81.68040       20.84642 82.39420       29.50220 80.96861       29.46043 37.78067 8.212573 37.40656 8.266486 0.3741074      11.65252 
1 1 1 1   1  63 o 39.94981 6.131872 86.41483       23.21327 101.5288       29.74246 62.86000       37.13019 42.47328 7.424236 31.51511 10.38418 10.95818       12.76521 
1 1 1 1   2  0  o 205.3973 4.129065 2065.695       83.01425 2070.433       117.6622 2060.999       117.1393 205.5016 5.855423 205.0333 5.842722 0.4683228      8.271843 
1 1 1 1   2  1  o 343.0191 7.526050 5767.379       252.6921 6179.000       459.1051 5588.489       302.6615 354.2336 13.26429 337.4083 9.172722 16.82523       16.12700 
1 1 1 1   2  2  o 208.8930 4.841486 2136.975       98.99398 2434.000       186.2535 2020.032       116.8681 222.6245 8.563198 202.9810 5.888350 19.64349       10.39235 
1 1 1 1   2  3  o 133.7189 4.241953 876.4138       55.45173 804.2000       75.51906 960.9000       81.68451 127.9815 6.045504 139.9255 5.977762 -11.94396      8.501868 
1 1 1 1   2  4  f 436.0280 9.449696 9327.184       403.3095 8932.000       677.3929 9544.197       501.9779 425.3771 16.29914 440.6441 11.64854 -15.26706      20.03373 
1 1 1 1   2  5  o 797.7053 14.78625 31326.50       1154.534 31253.37       1629.802 31400.16       1635.730 794.1525 20.98483 796.0037 21.01214 -1.851196      29.69635 
1 1 1 1   2  6  o 374.9229 7.085570 6888.987       260.0298 6848.720       298.9896 7014.000       526.8137 373.7411 8.172955 377.2518 14.29241 -3.510773      16.46421 
1 1 1 1   2  7  o 215.2620 4.319029 2269.112       91.00383 2243.142       104.2901 2352.000       186.3187 214.0068 4.978625 218.7966 8.717256 -4.789764      10.03879 
1 1 1 1   2  8  o 87.66901 2.523236 376.5515       21.63008 389.2661       30.91603 364.3602       30.27320 89.09329 3.552253 86.18903 3.596295 2.904259       5.054883 
1 1 1 1   2  9  o 272.5344 5.301140 3639.468       141.4155 3551.956       196.6352 3733.221       203.5261 268.9761 7.475887 275.7509 7.547542 -6.774780      10.62329 
1 1 1 1   2  10 o 167.6561 3.576801 1376.578       58.69759 1460.049       85.60903 1302.524       80.63588 172.5325 5.074751 162.9521 5.061616 9.580399       7.167500 
1 1 1 1   2  11 o 335.9927 6.418258 5537.160       211.0830 5369.992       292.5887 5718.597       304.8197 330.4018 9.055630 340.9489 9.141968 -10.54703      12.86779 
1 1 1 1   2  12 o 198.7113 4.723238 1934.515       91.86892 1818.042       108.1189 2237.000       174.2376 192.5034 5.744380 213.2847 8.362157 -20.78125      10.14513 
1 1 1 1   2  13 o 796.3422 14.80306 31282.50       1153.872 30623.30       1605.951 31985.95       1658.982 784.5683 20.93069 801.7027 21.15933 -17.13440      29.76258 
1 1 1 1   2  14 o 412.1952 7.770350 8329.295       313.5088 8189.323       438.1125 8476.192       448.8182 408.2322 10.97403 415.3142 11.05029 -7.081970      15.57364 
1 1 1 1   2  15 o 523.1016 9.764401 13421.84       499.9630 13232.89       700.0533 13618.54       714.2700 518.6522 13.80177 526.1453 13.88130 -7.493042      19.57496 
1 1 1 1   2  16 o 346.6724 6.616152 5887.601       224.5075 5848.417       316.0661 5927.505       318.9568 345.2220 9.362123 347.5479 9.384443 -2.325897      13.25583 
1 1 1 1   2  17 o 446.8068 9.697089 9791.701       424.0992 9921.077       524.3607 9547.000       721.1423 449.3419 11.93250 439.9258 16.77769 9.416107       20.58823 
1 1 1 1   2  18 o 253.5454 5.805439 3148.788       144.0778 3125.281       175.7260 3197.000       251.6613 252.4453 7.118632 255.0693 10.09977 -2.624039      12.35638 
1 1 1 1   2  19 o 412.4554 7.789904 8339.076       314.4962 8194.502       439.0944 8491.367       450.6606 408.3977 10.99420 415.7215 11.08482 -7.323792      15.61235 
1 1 1 1   2  20 o 429.8105 9.366890 9064.070       394.0748 8589.000       655.8776 9332.463       492.9802 417.0695 16.09623 435.6881 11.56997 -18.61859      19.82303 
1 1 1 1   2  21 o 506.2503 10.96950 12593.50       543.5735 11500.00       881.8871 13263.48       690.2938 481.5765 18.74440 518.8095 13.60488 -37.23297      23.16129 
1 1 1 1   2  22 o 266.3301 6.085471 3476.568       158.6429 3475.000       275.2061 3477.349       194.1461 265.6670 10.60444 266.1587 7.459510 -0.4916992     12.96528 
1 1 1 1   2  23 o 254.3036 5.848096 3170.018       145.5705 3171.028       178.3387 3168.000       251.9885 254.1431 7.176225 253.6204 10.17120 0.5227509      12.44795 
1 1 1 1   2  24 o 263.4710 6.032940 3403.996       155.5851 3398.000       269.8003 3406.983       190.4397 262.5106 10.52132 263.3549 7.395029 -0.8443604     12.86019 
1 1 1 1   2  25 o 282.5311 6.402776 3916.592       177.0683 3979.708       219.1797 3798.000       300.4398 284.5060 7.878090 277.3037 11.09105 7.202240       13.60425 
1 1 1 1   2  26 o 335.9846 7.472703 5545.900       245.7556 5496.614       299.2495 5648.000       430.7094 334.0455 9.160764 337.5015 13.06241 -3.455994      15.95450 
1 1 1 1   2  27 o 117.7771 3.233510 679.9365       37.24174 679.0403       53.18340 680.7988       52.16689 117.6042 4.629097 117.7641 4.534066 -0.1599579     6.479683 
1 1 1 1   2  28 o 122.3563 3.742190 734.2479       44.76595 742.9000       77.30801 729.8832       54.90832 122.8230 6.453050 121.9254 4.609144 0.8975525      7.930073 
1 1 1 1   2  29 o 188.9345 4.694067 1750.529       86.80941 1746.257       106.4702 1759.000       149.9344 188.5191 5.776692 188.8417 8.130472 -0.3225555     9.973702 
1 1 1 1   2  30 o 114.8369 3.305029 646.6359       37.11171 666.6589       53.21499 627.6766       51.78211 116.4942 4.676351 113.0300 4.690559 3.464188       6.623413 
1 1 1 1   2  31 o 166.9375 3.799855 1365.970       62.09078 1362.286       87.72167 1369.668       87.89783 166.4986 5.389678 166.9500 5.385849 -0.4514465     7.619448 
1 1 1 1   2  32 o 213.4832 4.470818 2235.687       93.42364 2211.526       131.2016 2260.538       133.0599 211.9868 6.330108 214.3213 6.349724 -2.334534      8.966006 
1 1 1 1   2  33 o 185.9030 4.085603 1695.011       74.34447 1712.739       105.6697 1677.635       104.6161 186.5838 5.792914 184.6595 5.795067 1.924225       8.193940 
1 1 1 1   2  34 o 165.4538 3.835407 1342.674       62.11472 1324.833       87.30409 1360.963       88.39300 164.0820 5.443385 166.3077 5.437303 -2.225677      7.693809 
1 1 1 1   2  35 o 138.0049 3.580973 934.7565       48.33200 963.2491       69.11927 907.4952       67.60928 139.8985 5.055855 135.7779 5.096152 4.120605       7.178610 
1 1 1 1   2  36 o 136.4955 4.146323 915.8300       55.33294 943.7641       68.46012 863.2000       93.96964 138.4163 5.061464 131.9005 7.306933 6.515762       8.888740 
1 1 1 1   2  37 o 104.7055 4.016056 539.4142       41.08371 551.5477       50.65862 516.1000       70.22163 105.7413 4.907823 101.8408 7.088628 3.900436       8.621797 
1 1 1 1   2  38 o 204.9106 4.405340 2066.540       88.35885 2033.043       123.9057 2101.198       126.0382 202.5741 6.256362 205.9434 6.259686 -3.369247      8.850183 
1 1 1 1   2  39 o 91.43221 4.021812 412.2150       35.90570 438.6000       62.62695 399.2955       43.82342 93.66241 6.879073 89.80074 5.005437 3.861671       8.507411 
1 1 1 1   2  40 o 106.3044 3.495367 556.3846       36.32113 535.3071       51.13610 577.8452       51.59869 103.9336 5.041533 108.0317 4.892262 -4.098053      7.025047 
1 1 1 1   2  41 o 101.9671 5.091006 516.3400       50.65170 484.8000       71.62093 547.9000       71.64372 97.95515 7.527442 104.3611 7.054938 -6.405945      10.31671 
1 1 1 1   2  42 o 44.32997 5.561446 99.21487       23.60219 97.13856       27.06857 105.8000       48.20600 43.60531 6.543648 44.21856 11.14349 -0.6132507     12.92272 
1 1 1 1   2  43 o 53.63332 5.666931 144.9839       29.30078 112.3454       35.23148 218.2000       52.76778 46.42831 8.043776 64.89814 8.511700 -18.46983      11.71116 
1 1 1 1   2  44 o 66.01644 4.930732 217.8531       31.63161 213.6385       38.57785 226.5000       55.25692 65.00130 6.135918 65.88594 8.787044 -0.8846359     10.71735 
1 1 1 1   2  45 o 48.61320 5.367178 119.3656       25.11447 100.3250       28.66824 182.2000       52.07855 44.07183 6.869470 58.60569 9.395846 -14.53386      11.63923 
1 1 1 1   2  46 o 56.11457 4.683539 157.7798       25.49066 149.4012       29.06486 185.7000       53.05672 54.34102 5.541778 58.95556 9.518222 -4.614540      11.01398 
1 1 1 1   2  47 o 52.89734 5.867133 142.7320       29.86819 128.0901       36.32390 173.3000       52.48394 49.33295 7.779761 56.47098 9.853187 -7.138035      12.55428 
1 1 1 1   2  48 o 62.77763 4.372841 197.5729       26.70246 189.5608       38.01353 205.3772       37.51733 60.62407 6.507752 63.30272 6.131535 -2.678658      8.941284 
1 1 1 1   2  49 o 56.87272 4.634096 163.2821       25.57396 151.6709       35.71799 175.4962       36.63346 53.79827 6.944703 58.12178 6.553327 -4.323505      9.548560 
1 1 1 1   2  50 o 36.34280 6.266314 69.46662       21.48650 71.43625       29.88753 67.35975       30.91132 35.91569 8.612878 34.72184 9.016238 1.193855       12.46893 
1 1 1 1   2  51 o 19.29921 7.738571 11.76427       22.24770 -2.147736      27.25892 39.52000       38.50261 18.19430 7.981319 28.14845 10.46747 -9.954149      13.16318 
1 1 1 1   2  52 o 46.47646 4.758915 110.1119       21.34411 89.81659       28.86180 134.6089       31.70895 40.73546 7.515235 50.58907 6.557676 -9.853603      9.974061 
1 1 1 1   2  53 o 30.49895 7.626043 51.28222       22.70419 54.67377       26.28968 41.33000       45.03460 31.23638 8.412036 28.91534 11.18636 2.321032       13.99632 
1 1 1 1   2  54 o 40.31722 5.127610 84.01175       19.77823 63.84155       27.14681 106.8308       28.87434 33.71708 8.285625 44.70776 6.813203 -10.99068      10.72713 
1 1 1 1   2  55 o 31.56438 6.621459 54.10434       19.80375 49.51724       27.25060 59.23839       28.82952 29.45179 8.787832 32.06858 8.880588 -2.616796      12.49363 
1 1 1 1   2  56 o 50.18030 6.643114 134.8406       31.82878 0.000000       0.000000 134.8406       31.82878 ?        ?        50.18030 6.643114 ?              ?        
1 1 1 1   2  57 o 47.31330 5.700290 117.4178       25.86768 141.0000       52.60570 109.8973       29.70739 47.53850 11.44364 45.04126 6.962587 2.497238       13.39532 
1 1 1 1   2  58 o 29.21836 7.930122 48.38721       23.25503 40.52000       47.15605 50.91532       26.73165 28.28901 11.29237 29.71564 8.661555 -1.426630      14.23166 
1 1 1 1   2  59 o 73.29530 3.841931 271.0574       27.46711 274.3223       38.92458 267.8192       38.76463 72.59830 5.518966 71.69095 5.567763 0.9073486      7.839577 
1 1 1 1   2  60 o 27.13913 7.419590 41.38487       20.27071 67.72962       28.94303 16.02131       28.39894 34.11574 8.655067 21.23057 8.659581 12.88517       12.24331 
1 1 1 1   2  61 o 17.49497 7.070811 9.882794       18.73320 23.27236       26.39798 -3.700783      26.58854 22.32504 8.583541 17.33530 7.729084 4.989738       11.55058 
1 1 1 1   2  62 o 76.17816 4.162181 295.6869       30.91751 262.4281       38.53257 355.8000       51.80354 70.61787 5.620864 81.27566 6.567567 -10.65778      8.644481 
1 1 1 1   2  63 o 34.86267 6.188523 66.25430       20.34459 64.17551       28.54841 68.39939       29.00008 32.76354 8.740659 33.86837 8.701759 -1.104824      12.33368 
1 1 1 1   3  0  o 688.6744 12.78747 23314.29       861.9952 23408.14       1222.931 23221.61       1215.197 688.2833 18.16805 685.5491 18.12521 2.734253       25.66323 
1 1 1 1   3  1  o 288.9476 5.561541 4089.572       157.2970 4125.636       223.7706 4054.345       221.1556 289.9893 7.890755 287.4731 7.866886 2.516144       11.14235 
1 1 1 1   3  2  o 869.9025 18.67480 37384.74       1590.131 38950.00       2834.520 36665.93       1920.856 878.6815 33.01528 859.2107 22.85993 19.47083       40.15701 
1 1 1 1   3  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   3  4  o 303.1827 8.250112 4510.255       244.6057 4482.000       344.4471 4539.000       347.4214 301.8418 11.68039 303.7544 11.70689 -1.912567      16.53732 
1 1 1 1   3  5  f 429.9548 9.323936 9068.535       392.3994 9123.000       682.5828 9041.651       479.5641 429.9224 16.24955 428.9143 11.43293 1.008057       19.86856 
1 1 1 1   3  6  o 136.5296 3.066134 912.5344       40.97551 920.0461       57.95305 905.0254       57.94320 137.0036 4.326960 135.8778 4.362253 1.125809       6.144252 
1 1 1 1   3  7  o 142.4232 4.442926 994.3492       61.86206 994.3492       61.86206 0.000000       0.000000 142.4232 4.442926 ?        ?        ?              ?        
1 1 1 1   3  8  o 263.6586 5.141722 3405.667       132.6956 3393.538       152.7376 3443.000       267.9666 263.1445 5.929873 264.4865 10.37083 -1.342010      11.94644 
1 1 1 1   3  9  o 219.8400 4.411835 2367.504       94.93628 2308.208       107.8252 2572.000       200.2406 217.0371 5.075513 228.6343 8.964932 -11.59721      10.30198 
1 1 1 1   3  10 o 242.5060 5.541652 2882.933       131.5431 2843.783       159.5580 2966.000       232.4179 240.6609 6.780160 245.3717 9.696045 -4.710785      11.83148 
1 1 1 1   3  11 o 261.4344 5.117568 3349.584       130.9582 3299.967       183.3503 3401.258       187.1127 259.2157 7.233341 263.1622 7.270931 -3.946472      10.25610 
1 1 1 1   3  12 o 171.5336 4.244061 1441.170       71.25858 1334.434       83.20055 1735.000       138.0443 164.9481 5.159493 187.9026 7.520688 -22.95453      9.120369 
1 1 1 1   3  13 o 276.0167 5.379249 3732.181       145.3327 3578.482       199.7397 3905.096       211.8580 270.0420 7.564060 282.0944 7.679772 -12.05243      10.77933 
1 1 1 1   3  14 o 302.6544 5.840430 4486.993       173.0207 4427.290       242.4113 4548.993       247.0304 300.3888 8.252293 304.4885 8.296182 -4.099701      11.70158 
1 1 1 1   3  15 o 98.88049 3.433432 479.2214       33.18073 437.1695       38.90122 591.5000       63.56516 94.39875 4.220758 109.7317 5.940225 -15.33299      7.287048 
1 1 1 1   3  16 o 241.6685 5.560010 2860.340       131.5230 2761.512       157.8221 3085.000       237.9530 237.3188 6.801073 250.6140 9.718599 -13.29515      11.86195 
1 1 1 1   3  17 o 550.4258 10.27617 14864.36       553.6514 14533.81       769.2795 15219.55       797.4425 543.4226 14.47529 556.0631 14.66386 -12.64050      20.60492 
1 1 1 1   3  18 o 440.9821 8.295074 9533.538       358.0531 9319.838       498.4275 9761.412       514.6912 435.4910 11.70336 445.6794 11.80866 -10.18835      16.62568 
1 1 1 1   3  19 o 480.0429 10.39929 11310.60       488.6411 11250.00       841.5464 11341.42       600.1815 477.0451 18.05498 480.1771 12.78090 -3.132019      22.12089 
1 1 1 1   3  20 o 146.1316 4.882782 1047.015       69.74408 1012.000       95.51939 1087.000       102.0724 143.5383 6.818062 148.7574 7.029982 -5.219101      9.793192 
1 1 1 1   3  21 o 101.4219 4.513577 504.7815       44.69610 504.7815       44.69610 0.000000       0.000000 101.4219 4.513577 ?        ?        ?              ?        
1 1 1 1   3  22 o 325.8023 7.250399 5206.099       231.2183 5130.454       280.3501 5367.000       408.8744 323.1347 8.872011 329.8345 12.68815 -6.699829      15.48230 
1 1 1 1   3  23 o 210.0179 5.043130 2161.272       103.6723 2273.000       185.8689 2110.815       124.9071 214.9297 8.853904 207.3998 6.159624 7.529892       10.78576 
1 1 1 1   3  24 o 310.6392 6.969452 4735.328       211.9147 4780.000       368.5347 4713.261       259.0202 311.0293 12.12842 309.5883 8.555776 1.440918       14.84250 
1 1 1 1   3  25 o 292.6610 5.711977 4200.500       163.6279 4196.671       231.2959 4204.336       231.5140 292.1134 8.097095 292.3802 8.097321 -0.2668152     11.45118 
1 1 1 1   3  26 o 139.1548 3.971602 949.5140       54.04127 953.4574       66.43354 941.8000       92.91576 139.3763 4.877104 138.3232 6.884228 1.053162       8.436749 
1 1 1 1   3  27 o 240.0210 5.596241 2826.351       131.4776 2840.791       161.5249 2798.000       226.3358 240.3888 6.871710 238.0375 9.734621 2.351334       11.91567 
1 1 1 1   3  28 o 87.33000 3.196239 374.0757       27.27569 373.8135       38.82740 374.3310       38.32481 87.19966 4.564912 87.26551 4.501961 -0.6584930E-01 6.411402 
1 1 1 1   3  29 o 132.0577 3.875036 855.4143       50.03523 837.9000       85.08096 864.6741       61.86386 130.4075 6.687693 132.6950 4.770715 -2.287506      8.214923 
1 1 1 1   3  30 f 138.6344 4.003728 942.8968       54.27334 932.2877       66.58421 963.9000       93.68640 137.7642 4.945770 139.8482 6.865034 -2.084000      8.461047 
1 1 1 1   3  31 o 216.5596 4.513585 2300.242       95.67651 2298.573       135.3989 2301.906       135.2153 216.1499 6.406684 216.3091 6.393253 -0.1591644     9.050927 
1 1 1 1   3  32 o 356.0179 6.855236 6237.727       238.8914 6180.976       335.8537 6295.843       339.8688 353.2802 9.721599 356.5388 9.747787 -3.258636      13.76695 
1 1 1 1   3  33 o 219.9832 4.583674 2374.853       98.69827 2320.033       137.3218 2433.433       141.9543 217.0422 6.471045 222.2748 6.531660 -5.232605      9.194401 
1 1 1 1   3  34 o 65.90455 3.988167 213.8521       25.60694 221.3504       36.19832 206.3410       36.22905 66.86667 5.581466 64.51324 5.799041 2.353432       8.048704 
1 1 1 1   3  35 o 161.9393 4.399029 1288.695       69.66473 1240.098       83.73132 1398.000       125.5740 158.6903 5.398390 167.9917 7.656827 -9.301437      9.368545 
1 1 1 1   3  36 o 173.0292 3.952713 1470.005       66.94543 1494.042       95.58009 1446.857       93.79539 174.0634 5.617239 171.2934 5.601688 2.769943       7.932987 
1 1 1 1   3  37 o 113.8015 3.453084 636.2651       38.42010 625.2682       54.60610 647.0457       54.06638 112.5820 4.967484 114.5535 4.832696 -1.971497      6.930429 
1 1 1 1   3  38 o 80.09152 4.104812 316.3266       32.07266 294.1000       54.27260 328.2542       39.75763 76.57825 7.329868 81.44318 5.011501 -4.864922      8.879308 
1 1 1 1   3  39 o 124.1688 4.955389 762.2886       60.10676 730.2000       83.15408 797.4000       86.98270 120.8939 7.057741 126.3502 7.061258 -5.456253      9.983640 
1 1 1 1   3  40 o 102.8710 3.515638 521.1385       35.34800 508.9547       40.69222 558.6000       71.35307 101.5464 4.102378 105.5833 6.942689 -4.036949      8.064145 
1 1 1 1   3  41 o 108.8820 3.503103 584.2465       37.28632 575.3459       42.85007 612.0000       75.66630 107.9198 4.063690 110.3011 7.045190 -2.381264      8.133159 
1 1 1 1   3  42 o 69.71506 4.668286 241.7135       31.67233 245.7235       38.87754 233.8000       54.61443 70.01685 5.722577 67.35296 8.471014 2.663895       10.22282 
1 1 1 1   3  43 o 171.7059 4.662520 1462.991       78.29066 1478.483       96.41404 1433.000       134.1462 172.0112 5.734360 167.5508 8.204426 4.460373       10.00977 
1 1 1 1   3  44 o 54.47362 5.730467 149.9142       30.09793 162.0044       37.14460 126.8000       51.35917 56.27563 6.886580 48.10651 11.12842 8.169121       13.08689 
1 1 1 1   3  45 o 81.98622 4.525306 334.7938       36.17490 346.8993       44.18996 310.2000       62.98604 83.13405 5.460718 77.25223 8.468280 5.881821       10.07627 
1 1 1 1   3  46 o 63.08892 4.495126 198.8477       27.57698 187.9311       31.24727 237.3000       58.64492 61.08807 5.277463 66.94466 9.192148 -5.856586      10.59940 
1 1 1 1   3  47 o 36.94347 6.890388 71.64256       24.00020 49.01848       27.21469 150.8000       50.90540 30.20700 8.720346 52.33643 10.30389 -22.12943      13.49869 
1 1 1 1   3  48 o 92.51631 4.286973 427.7896       38.71623 451.1205       47.41278 381.1000       67.07185 94.58529 5.140447 85.03224 8.158401 9.553047       9.642806 
1 1 1 1   3  49 o 30.93980 7.324543 51.63135       21.83616 55.00883       30.11294 47.88588       31.71098 31.53010 9.193792 29.69621 9.584065 1.833899       13.28082 
1 1 1 1   3  50 o 48.18244 5.456095 119.2268       25.27987 121.1666       30.89957 115.3000       43.96249 47.99520 6.764717 44.92648 10.22736 3.068726       12.26215 
1 1 1 1   3  51 o 45.27236 4.964637 104.7522       21.63976 102.9861       29.65367 106.7642       31.65030 43.93483 7.140410 44.55517 7.524993 -0.6203423     10.37357 
1 1 1 1   3  52 o 91.55383 3.987960 420.2314       35.65254 407.6945       42.50200 450.0000       65.49297 89.65972 4.861083 92.22448 7.314960 -2.564758      8.782868 
1 1 1 1   3  53 o 36.51823 5.841843 70.05745       20.17820 68.39275       27.81758 71.90604       29.31375 35.00615 8.253706 35.79715 8.494459 -0.7909966     11.84397 
1 1 1 1   3  54 o 32.93484 6.246025 57.93272       19.39907 57.55296       26.87024 58.34615       28.03570 31.92405 8.463058 32.05320 8.710378 -0.1291580     12.14471 
1 1 1 1   3  55 o 28.59212 8.931214 46.49530       27.72959 0.000000       0.000000 46.49530       27.72959 ?        ?        28.59212 8.931214 ?              ?        
1 1 1 1   3  56 o 27.51099 7.211669 42.00545       19.65291 26.83828       27.39750 58.08212       28.20699 23.49384 8.811075 31.70429 8.785893 -8.210453      12.44295 
1 1 1 1   3  57 o 64.49139 4.419913 211.7855       27.73244 239.1000       45.99703 196.1857       34.76102 66.52054 7.177787 61.15939 5.878947 5.361149       9.278073 
1 1 1 1   3  58 o 64.53992 3.890802 210.4246       24.46539 199.8340       34.46312 221.1841       34.73708 61.75567 5.767989 65.18669 5.495254 -3.431023      7.966650 
1 1 1 1   3  59 o 40.96023 7.939331 94.18984       30.68174 119.9000       52.49466 80.85000       37.81273 42.95233 12.01669 36.44100 10.20008 6.511330       15.76206 
1 1 1 1   3  60 o 15.74994 6.816015 0.9509481      19.31555 14.93539       27.42007 -12.82382      27.21373 20.80730 8.500650 16.30381 7.485205 4.503490       11.32649 
1 1 1 1   3  61 o 41.02801 5.925722 89.77129       23.10863 82.02073       30.04339 101.0000       36.16158 37.72734 8.355971 41.37201 9.170624 -3.644672      12.40656 
1 1 1 1   3  62 o 13.66851 6.244442 -8.865687      18.63018 39.56334       26.27229 -57.84995      26.42246 26.22639 8.738240 11.83552 5.881691 14.39087       10.53333 
1 1 1 1   3  63 f 18.56688 7.737360 9.687634       23.32908 40.98406       26.61235 -94.19000      48.48383 26.49430 8.793674 15.95259 7.934290 10.54171       11.84406 
1 1 1 1   4  0  o 86.26511 2.393234 364.5421       20.18862 371.6938       28.70504 357.5418       28.39946 87.06872 3.374527 85.39112 3.404573 1.677597       4.793594 
1 1 1 1   4  1  o 483.9662 9.037667 11488.53       428.1319 11492.73       605.6791 11484.33       605.2611 483.3498 12.81321 483.1738 12.80904 0.1759644      18.11766 
1 1 1 1   4  2  o 910.5400 16.88055 40888.90       1504.499 41676.07       2157.620 40143.96       2098.957 915.3363 24.10273 898.4710 23.88794 16.86530       33.93487 
1 1 1 1   4  3  f 398.5381 8.674707 7789.279       338.4005 8336.000       614.7170 7551.554       405.3494 411.1295 15.30202 392.0756 10.57183 19.05389       18.59880 
1 1 1 1   4  4  o 166.1649 5.007071 1353.463       81.34550 1443.000       119.0296 1275.000       111.4262 171.4444 7.108347 161.1394 7.081766 10.30504       10.03394 
1 1 1 1   4  5  o 433.7423 11.55609 9250.073       490.1870 9155.000       688.1606 9348.000       698.4113 430.5113 16.36026 435.0143 16.43171 -4.503052      23.18748 
1 1 1 1   4  6  o 344.2719 7.569513 5811.433       255.0796 6508.000       478.1768 5534.379       301.5708 363.3487 13.46824 335.6940 9.186456 27.65475       16.30290 
1 1 1 1   4  7  o 238.4080 5.446880 2784.817       127.1086 2718.780       153.3151 2930.000       227.3254 235.4065 6.660349 244.0823 9.533261 -8.675842      11.62942 
1 1 1 1   4  8  o 181.4688 3.776094 1612.706       67.07352 1652.083       78.28468 1504.000       130.0717 183.6517 4.354874 174.9120 7.615511 8.739670       8.772738 
1 1 1 1   4  9  o 346.1487 6.590750 5877.337       223.3078 5853.406       257.0351 5951.000       450.9514 345.3145 7.604511 346.8643 13.30669 -1.549774      15.32634 
1 1 1 1   4  10 o 205.2193 4.174612 2063.085       83.85721 2034.400       95.81159 2157.000       173.3639 203.7568 4.803963 209.3644 8.477125 -5.607559      9.743701 
1 1 1 1   4  11 o 307.6997 5.920715 4641.479       178.3230 4626.932       205.4024 4686.000       359.3217 307.1320 6.832415 308.1581 11.93508 -1.026123      13.75239 
1 1 1 1   4  12 o 355.5715 6.764179 6198.499       235.4227 6190.730       271.5594 6222.000       472.3263 355.2457 7.809619 355.0482 13.61615 0.1975708      15.69680 
1 1 1 1   4  13 o 151.6758 3.939262 1127.196       58.43454 1068.676       69.24278 1272.000       108.9205 147.6417 4.797735 160.9527 6.929849 -13.31104      8.428586 
1 1 1 1   4  14 o 256.4972 5.821944 3222.536       146.1696 3199.257       178.4496 3270.000       254.8110 255.4166 7.144752 257.9697 10.11079 -2.553070      12.38045 
1 1 1 1   4  15 o 450.2090 9.765813 9941.060       430.3569 9629.234       515.3024 10660.00       782.4443 442.7042 11.90245 464.8456 17.22624 -22.14142      20.93828 
1 1 1 1   4  16 o 260.9970 5.142193 3335.866       131.3682 3335.378       185.9640 3336.352       185.6019 260.7971 7.291994 260.8363 7.276669 -0.3918457E-01 10.30161 
1 1 1 1   4  17 f 575.2363 10.71235 16238.90       603.1666 15841.26       837.7725 16666.83       869.1028 567.1877 15.10358 581.7491 15.27584 -14.56146      21.48184 
1 1 1 1   4  18 o 157.1550 4.964428 1210.698       76.27087 1362.000       114.7627 1091.000       102.0752 166.5674 7.054873 149.0478 7.016318 17.51955       9.949872 
1 1 1 1   4  19 o 294.2370 6.601396 4242.182       190.1250 4140.000       322.7693 4296.475       235.2737 290.1089 11.38858 295.9116 8.130493 -5.802704      13.99302 
1 1 1 1   4  20 o 251.7791 5.797512 3105.738       142.8787 3061.404       173.2504 3200.000       252.6240 249.8112 7.092444 255.1008 10.13730 -5.289566      12.37205 
1 1 1 1   4  21 o 327.6143 7.295122 5263.106       233.9385 5335.000       409.5609 5228.291       285.0074 328.9507 12.74394 326.2504 8.933214 2.700287       15.56311 
1 1 1 1   4  22 o 240.5440 4.840094 2834.633       113.9605 3009.669       167.1759 2682.689       155.7583 247.6367 6.903610 233.7957 6.813527 13.84099       9.699690 
1 1 1 1   4  23 o 198.5708 4.182063 1931.439       81.28532 1834.055       111.5246 2041.798       118.7223 193.3282 5.900352 203.9887 5.952301 -10.66052      8.381171 
1 1 1 1   4  24 o 74.85989 4.721938 275.7052       34.42368 282.2000       52.47827 270.8000       45.60666 75.48477 7.189258 74.02931 6.355319 1.455460       9.595599 
1 1 1 1   4  25 o 208.3249 5.007868 2127.483       102.1175 2155.000       179.2601 2114.263       124.2487 209.1343 8.776442 207.5033 6.124014 1.630981       10.70184 
1 1 1 1   4  26 o 122.4962 3.244443 735.4454       38.86748 740.6502       55.32312 730.3724       54.61751 122.8390 4.609302 121.9846 4.582404 0.8544006      6.499545 
1 1 1 1   4  27 f 202.2014 4.906419 2004.828       97.10800 1987.875       118.2174 2040.000       170.2751 201.1593 6.010663 203.3908 8.572123 -2.231476      10.46945 
1 1 1 1   4  28 o 153.6901 4.175789 1158.633       62.76074 1152.131       76.51537 1172.000       109.7170 153.1722 5.110590 154.2222 7.288725 -1.050034      8.901890 
1 1 1 1   4  29 o 112.7302 3.268026 623.0943       36.02246 640.2056       51.56961 606.7896       50.33956 114.1654 4.624374 111.1398 4.637553 3.025558       6.549178 
1 1 1 1   4  30 o 242.9454 5.665127 2897.915       134.7177 2807.000       228.1853 2946.559       166.9115 238.1481 9.809916 244.6760 6.976414 -6.527954      12.03764 
1 1 1 1   4  31 o 188.1270 4.729035 1737.412       87.01324 1734.542       107.0538 1743.000       149.3678 187.8228 5.830066 187.8698 8.141905 -0.4696655E-01 10.01400 
1 1 1 1   4  32 o 252.4577 5.091081 3129.092       125.8070 3140.390       178.4021 3117.916       177.4377 252.4097 7.228283 251.5074 7.215029 0.9022675      10.21297 
1 1 1 1   4  33 o 181.5925 4.041968 1617.385       71.84509 1587.844       100.5607 1648.184       102.6811 179.6409 5.726273 183.0236 5.738709 -3.382706      8.106971 
1 1 1 1   4  34 o 112.9531 3.950429 626.6667       43.60933 634.9302       53.95656 611.1000       74.05640 113.5915 4.864059 111.1386 6.840704 2.452850       8.393706 
1 1 1 1   4  35 o 127.9754 3.499996 803.8945       43.80183 786.7419       61.59391 821.4440       62.30246 126.4109 4.987701 129.1806 4.936298 -2.769768      7.017421 
1 1 1 1   4  36 o 106.4284 3.935671 556.9462       40.92926 565.9000       69.22318 552.1335       50.75067 106.8254 6.653224 105.8298 4.912632 0.9956055      8.270390 
1 1 1 1   4  37 o 121.4675 4.906298 727.6765       58.21374 695.5000       79.78835 764.3000       85.12374 118.2966 6.920895 123.9952 7.042536 -5.698593      9.874012 
1 1 1 1   4  38 o 83.40201 3.601017 342.4157       29.32806 328.5244       33.56985 387.2000       60.27534 81.60077 4.217207 88.00684 7.056160 -6.406067      8.220355 
1 1 1 1   4  39 o 63.18082 4.169986 197.4344       25.64430 210.0256       29.85483 162.0000       50.08345 65.07967 4.718706 55.92903 9.487203 9.150639       10.59591 
1 1 1 1   4  40 o 109.1330 3.493341 586.4666       37.26863 598.4099       43.32821 552.5000       73.06915 110.1301 4.026149 104.8997 7.159199 5.230446       8.213648 
1 1 1 1   4  41 o 73.78079 3.857289 269.1024       27.76008 257.2084       31.92228 306.0000       56.22511 71.98496 4.553837 77.66788 7.488494 -5.682915      8.764415 
1 1 1 1   4  42 o 60.93547 4.345363 184.5219       25.74797 185.4988       29.74235 181.6000       51.43813 60.94159 5.030807 58.94327 9.217179 1.998318       10.50073 
1 1 1 1   4  43 f 51.07875 5.982761 132.1489       29.34604 103.7202       35.23694 196.5000       53.01491 44.42947 8.410432 61.25429 9.119767 -16.82483      12.40587 
1 1 1 1   4  44 o 76.54623 4.600250 291.8316       34.30859 256.2080       40.84441 377.2000       63.22842 71.29761 5.905564 85.84602 7.603182 -14.54842      9.627256 
1 1 1 1   4  45 o 39.16292 6.607261 79.36912       24.42776 80.89326       27.91727 74.39000       50.45881 39.25500 7.539580 37.12999 12.09797 2.125011       14.25504 
1 1 1 1   4  46 o 65.32142 5.154951 214.5005       32.69296 192.3433       39.37235 263.7000       58.66975 61.28621 6.670824 70.89347 8.632533 -9.607258      10.90965 
1 1 1 1   4  47 o 105.4830 3.613974 551.7599       37.25906 544.4037       42.62154 575.6000       76.72864 104.5496 4.173248 105.5279 7.476616 -0.9783630     8.562464 
1 1 1 1   4  48 o 64.47430 4.182908 208.0394       26.25552 198.4319       29.72874 242.1000       55.97547 62.71172 4.881504 67.26087 8.706203 -4.549152      9.981336 
1 1 1 1   4  49 o 44.49737 7.207856 105.0173       30.32097 105.0173       30.32097 0.000000       0.000000 44.49737 7.207856 ?        ?        ?              ?        
1 1 1 1   4  50 o 49.24302 4.689639 123.0215       22.33166 131.7139       31.01476 113.6632       32.18097 50.20734 6.460526 46.15715 7.370635 4.050190       9.801258 
1 1 1 1   4  51 o 47.51288 5.564883 116.5110       25.39076 87.88801       29.90702 190.4000       48.05136 40.14321 7.892683 59.05434 8.562257 -18.91113      11.64503 
1 1 1 1   4  52 o 58.71114 4.042376 173.3994       23.08897 185.9984       32.23001 160.1171       33.09253 60.12090 5.539052 55.40232 6.209025 4.718571       8.320642 
1 1 1 1   4  53 o 56.18675 4.169815 159.4179       22.76933 154.4639       31.36866 164.9348       33.10266 54.43126 5.986346 56.18924 6.117360 -1.757980      8.559114 
1 1 1 1   4  54 o 31.75224 7.408880 55.58590       22.60398 -8.699000      36.44059 95.78989       28.81812 19.74305 8.905504 42.01553 7.270362 -22.27248      11.49635 
1 1 1 1   4  55 o 17.68538 7.086897 10.22612       18.64598 23.98163       25.85572 -4.679525      26.91496 22.64325 8.545022 17.45349 7.779431 5.189760       11.55582 
1 1 1 1   4  56 o 23.58712 7.434877 30.23568       19.17303 5.728036       26.74374 56.15213       27.50167 19.05019 8.128269 31.22267 8.684023 -12.17248      11.89458 
1 1 1 1   4  57 o 39.65106 5.474389 82.48875       20.68064 103.3267       28.93459 60.72643       29.56942 43.58553 7.020613 32.26736 9.015679 11.31816       11.42679 
1 1 1 1   4  58 o 26.13242 7.890895 38.28770       21.87464 20.41000       33.32169 51.82680       28.99787 23.07426 9.391929 29.83173 9.101368 -6.757473      13.07835 
1 1 1 1   4  59 o 47.93168 5.300008 119.7087       24.45110 97.21000       38.41966 135.0250       31.69944 40.29573 9.829604 50.12734 6.622415 -9.831612      11.85232 
1 1 1 1   4  60 o 24.94893 10.87197 15.20000       49.85015 15.20000       49.85015 0.000000       0.000000 24.94893 10.87197 ?        ?        ?              ?        
1 1 1 1   4  61 o 29.89569 7.004549 49.86665       20.13650 51.17151       28.35812 48.53960       28.59803 29.46930 9.002292 28.74766 9.082672 0.7216320      12.78813 
1 1 1 1   4  62 o 50.05804 5.655488 132.7448       27.22620 133.7106       31.65618 130.0000       53.36441 49.51067 6.704219 43.88847 12.05449 5.622192       13.79338 
1 1 1 1   4  63 o 32.99828 6.563047 60.31688       20.45205 95.12514       29.75631 29.14967       28.15703 40.82080 7.730123 23.60217 8.914910 17.21863       11.79959 
1 1 1 1   5  0  o 242.9373 4.774369 2890.241       113.5315 2867.062       159.7462 2913.897       161.3818 241.7919 6.756296 243.7593 6.770301 -1.967422      9.564754 
1 1 1 1   5  1  o 540.0681 10.06047 14314.59       531.8304 14338.46       752.8798 14290.82       751.3661 539.5772 14.26747 538.6806 14.26252 0.8966064      20.17375 
1 1 1 1   5  2  o 1113.146 20.69059 61372.75       2254.401 62315.14       3224.228 60471.32       3153.363 1114.399 29.58442 1097.975 29.36738 16.42371       41.68550 
1 1 1 1   5  3  o 327.6289 6.251723 5259.405       200.4879 5669.257       298.2464 4921.512       270.8018 339.8319 8.973981 316.6371 8.745803 23.19479       12.53082 
1 1 1 1   5  4  o 305.4794 5.857809 4571.950       175.1553 4623.487       249.5611 4521.916       245.8937 306.9193 8.314704 303.5299 8.284112 3.389313       11.73715 
1 1 1 1   5  5  o 378.9620 10.16918 7058.165       376.8730 6964.000       527.9573 7156.000       538.1467 375.6360 14.38563 380.7688 14.46517 -5.132751      20.40067 
1 1 1 1   5  6  o 556.5240 14.76024 15294.65       803.3409 15780.00       1161.800 14850.00       1112.025 562.6711 21.13212 545.9484 20.84757 16.72272       29.68480 
1 1 1 1   5  7  o 233.6504 5.360129 2675.256       122.5880 3124.000       235.3675 2508.210       143.6034 251.9567 9.560993 226.0776 6.496085 25.87915       11.55905 
1 1 1 1   5  8  o 252.0488 5.727765 3114.445       141.3110 3199.450       175.9531 2960.000       237.1704 255.2578 7.049003 245.1106 9.905759 10.14720       12.15782 
1 1 1 1   5  9  o 236.8345 4.692204 2748.432       108.7747 2718.197       124.4926 2846.000       223.6390 235.4825 5.401056 240.3685 9.524107 -4.886032      10.94897 
1 1 1 1   5  10 o 269.0702 5.246305 3548.201       138.1737 3563.120       159.7998 3504.000       275.0576 269.5733 6.056101 266.6217 10.56044 2.951630       12.17371 
1 1 1 1   5  11 o 470.7810 8.829879 10882.38       406.8927 11022.75       474.1179 10490.00       792.7011 473.5452 10.22866 459.6644 17.65104 13.88077       20.40060 
1 1 1 1   5  12 o 365.2845 6.932693 6540.591       247.8788 6602.618       287.9313 6363.000       487.2012 366.9160 8.017076 359.1858 13.88358 7.730255       16.03207 
1 1 1 1   5  13 o 467.5738 10.11956 10728.42       463.1462 10728.42       463.1462 0.000000       0.000000 467.5738 10.11956 ?        ?        ?              ?        
1 1 1 1   5  14 o 300.1810 6.694545 4414.551       196.7028 4414.551       196.7028 0.000000       0.000000 300.1810 6.694545 ?        ?        ?              ?        
1 1 1 1   5  15 o 229.6602 4.620958 2582.594       103.8781 2587.416       119.8132 2568.000       208.4619 229.8564 5.325273 228.6523 9.333809 1.204132       10.74609 
1 1 1 1   5  16 o 486.7809 9.124610 11619.43       434.7645 11431.31       496.3062 12240.00       901.4211 482.6724 10.50488 497.7712 18.53321 -15.09888      21.30335 
1 1 1 1   5  17 o 774.2091 16.61112 29533.31       1258.819 28210.00       2107.108 30267.72       1569.734 751.1674 28.71072 782.1387 20.52160 -30.97131      35.29082 
1 1 1 1   5  18 o 388.0407 7.355127 7379.804       279.3661 7214.583       388.8672 7556.029       401.6074 383.2653 10.37517 392.2238 10.47008 -8.958466      14.73997 
1 1 1 1   5  19 o 205.5039 4.948770 2068.331       99.54591 2026.060       120.1227 2161.000       177.8591 203.2686 6.044090 209.7264 8.682749 -6.457718      10.57928 
1 1 1 1   5  20 o 130.4044 4.700599 833.9451       59.90189 928.8000       92.84298 766.3000       78.40384 137.4788 6.921601 124.8802 6.435837 12.59859       9.451378 
1 1 1 1   5  21 o 283.4470 6.415962 3938.318       178.0081 3893.282       216.2382 4033.000       313.5347 281.6017 7.852633 286.1505 11.21571 -4.548798      13.69146 
1 1 1 1   5  22 o 177.5926 4.499164 1545.954       78.14713 1442.048       91.86664 1818.000       148.6482 171.4508 5.481134 192.3038 7.913969 -20.85301      9.626719 
1 1 1 1   5  23 o 183.3363 3.948306 1646.358       70.85417 1787.590       105.1087 1528.726       95.92560 190.8757 5.631928 176.5080 5.559115 14.36768       7.913430 
1 1 1 1   5  24 o 213.4782 4.405782 2233.001       92.06249 2339.161       134.0202 2138.149       126.6816 218.2733 6.279357 208.6837 6.208717 9.589600       8.830544 
1 1 1 1   5  25 o 252.3132 5.823491 3122.778       143.8234 3237.000       255.9965 3070.096       173.8550 256.0815 10.23352 249.9366 7.113660 6.144943       12.46311 
1 1 1 1   5  26 o 384.6944 8.470969 7280.904       318.9740 7177.000       547.7391 7334.223       392.3705 379.6478 14.76780 385.4499 10.40926 -5.802124      18.06767 
1 1 1 1   5  27 o 233.1442 4.727733 2665.140       107.8906 2616.013       151.0468 2716.314       154.1617 230.6774 6.696692 235.0600 6.707118 -4.382599      9.477927 
1 1 1 1   5  28 o 130.7725 3.344713 838.3483       42.77843 834.0015       60.63400 842.6563       60.36258 130.3226 4.761250 131.0021 4.715114 -0.6795502     6.700880 
1 1 1 1   5  29 o 213.0753 5.139191 2227.590       107.1850 2271.303       132.5495 2145.000       182.1941 214.9278 6.307384 208.3681 8.953883 6.559647       10.95240 
1 1 1 1   5  30 o 317.6448 6.175700 4957.285       192.0146 4839.075       267.0099 5083.890       276.3290 313.1147 8.720488 320.9170 8.805181 -7.802277      12.39266 
1 1 1 1   5  31 o 232.3332 4.762730 2648.465       108.3112 2575.744       150.6974 2726.174       155.7794 228.7353 6.738140 235.3189 6.770154 -6.583588      9.551833 
1 1 1 1   5  32 o 324.1361 7.291128 5175.956       231.3281 5018.357       277.6098 5534.000       418.4332 318.5266 8.912716 332.6221 12.87627 -14.09552      15.65997 
1 1 1 1   5  33 o 340.3375 9.396853 5742.341       312.7394 5742.341       312.7394 0.000000       0.000000 340.3375 9.396853 ?        ?        ?              ?        
1 1 1 1   5  34 o 230.4529 4.776263 2608.608       107.7399 2620.044       124.7297 2575.000       213.8307 230.8177 5.520703 227.5183 9.623422 3.299454       11.09452 
1 1 1 1   5  35 o 252.3993 5.915097 3138.022       146.1357 3246.692       182.5284 2944.000       243.8954 256.2063 7.285772 242.6902 10.29039 13.51605       12.60851 
1 1 1 1   5  36 o 164.6078 4.434403 1332.850       71.38321 1353.192       87.72991 1293.000       122.7936 165.6543 5.417806 161.2721 7.801902 4.382126       9.498542 
1 1 1 1   5  37 o 234.9307 4.862192 2718.132       111.8093 2719.510       129.1097 2714.000       223.6009 234.7450 5.618967 232.3206 9.855241 2.424393       11.34454 
1 1 1 1   5  38 o 102.0148 3.491214 511.9052       34.81011 520.0184       40.24413 487.8000       69.36813 102.7391 4.009545 98.76528 7.225450 3.973816       8.263388 
1 1 1 1   5  39 o 126.1325 3.530937 782.8769       43.55076 793.1251       50.53566 753.3000       85.85194 126.8421 4.075609 122.6843 7.180545 4.157715       8.256562 
1 1 1 1   5  40 o 115.2690 3.527354 654.3954       39.75176 618.4903       45.08477 779.8000       84.25747 111.9296 4.122124 124.7540 6.927174 -12.82441      8.060871 
1 1 1 1   5  41 o 90.93806 3.564242 407.9699       31.66484 407.9599       36.54272 408.0000       63.43751 90.81577 4.121610 89.82761 7.277158 0.9881592      8.363294 
1 1 1 1   5  42 o 130.8180 4.195595 846.7247       53.65440 773.9137       63.23010 1034.000       101.4065 124.7007 5.191582 143.0660 7.265193 -18.36530      8.929477 
1 1 1 1   5  43 o 130.3577 3.635519 839.1993       46.34311 821.2993       52.86658 898.6000       96.30521 128.7656 4.200070 133.0343 7.425173 -4.268692      8.530755 
1 1 1 1   5  44 o 67.72739 4.941992 229.3584       32.53669 183.0692       38.19924 351.7000       62.10149 59.94520 6.620359 82.78236 7.754298 -22.83715      10.19599 
1 1 1 1   5  45 o 136.8620 5.340705 937.6512       71.40907 902.4000       98.74327 976.3000       103.3924 132.7304 7.632486 138.0328 7.682756 -5.302353      10.82957 
1 1 1 1   5  46 o 49.16675 5.220188 122.2078       24.73908 105.0167       27.77509 188.2000       54.41883 45.14552 6.470143 59.15603 9.736636 -14.01052      11.69037 
1 1 1 1   5  47 o 59.22848 5.365611 177.6902       30.76972 173.0678       37.03053 188.0000       55.30349 57.93139 6.650887 58.66577 9.988345 -0.7343788     12.00006 
1 1 1 1   5  48 o 51.53430 5.554772 135.7253       27.57798 135.7253       27.57798 0.000000       0.000000 51.53430 5.554772 ?        ?        ?              ?        
1 1 1 1   5  49 o 56.10918 4.402204 158.5665       23.98397 175.0614       27.28488 102.5000       50.30364 58.82630 4.779684 41.63008 11.80432 17.19622       12.73528 
1 1 1 1   5  50 o 58.07843 4.823981 171.1520       27.17642 160.7916       32.33061 196.1000       50.16973 55.73694 6.021517 59.88719 8.822628 -4.150246      10.68164 
1 1 1 1   5  51 o 56.33964 4.130154 159.7701       22.61821 160.8024       31.42406 158.6602       32.58126 55.76712 5.843421 55.24659 6.127930 0.5205307      8.467414 
1 1 1 1   5  52 o 41.12269 5.351559 87.44705       21.03062 65.69236       29.17686 110.9721       30.34084 34.17654 8.700496 45.59739 7.023130 -11.42085      11.18137 
1 1 1 1   5  53 o 59.36238 4.568434 179.0028       26.34109 177.4000       43.00105 179.9655       33.32555 57.11510 7.903244 58.84164 5.864098 -1.726536      9.841185 
1 1 1 1   5  54 o 61.82044 3.928308 192.5188       23.64784 179.0376       32.30196 208.0889       34.71441 58.70101 5.693227 63.33959 5.658771 -4.638584      8.027111 
1 1 1 1   5  55 o 37.71883 5.557530 74.71228       19.90430 73.61227       27.54629 75.91411       28.79294 36.22248 7.984618 36.66422 8.225855 -0.4417381     11.46381 
1 1 1 1   5  56 o 40.95787 5.327646 87.55554       20.85321 105.3753       29.38780 69.48354       29.59507 44.03677 7.055992 34.71404 8.721894 9.322735       11.21867 
1 1 1 1   5  57 o 52.36338 4.386613 139.9124       22.27702 116.0349       30.78678 166.1540       32.27480 46.21356 7.027003 56.16526 5.961643 -9.951694      9.215202 
1 1 1 1   5  58 o 31.35739 6.731328 53.91664       20.04290 66.83115       27.85027 40.04202       28.86694 34.11497 8.397612 26.74488 9.158971 7.370085       12.42605 
1 1 1 1   5  59 o 53.11936 5.859249 148.6624       29.95942 158.2000       41.05688 137.8000       43.81558 53.15925 8.149941 48.41986 9.584167 4.739391       12.58085 
1 1 1 1   5  60 o 17.09865 7.247008 4.863775       21.01492 35.03000       32.74773 -16.25621      27.40107 25.74340 9.637539 15.93160 7.384093 9.811800       12.14113 
1 1 1 1   5  61 o 27.54890 9.978294 43.42064       34.62333 32.57000       48.87653 54.35000       49.05352 26.88991 11.20209 30.21817 11.67903 -3.328266      16.18291 
1 1 1 1   5  62 o 32.98091 7.728263 62.38895       24.51032 102.6000       50.59572 50.05872       28.01732 38.72962 12.05893 28.98812 8.965045 9.741495       15.02631 
1 1 1 1   5  63 o 18.37274 7.162282 14.19701       18.57069 29.15061       26.23720 -0.8153471     26.28871 23.36124 8.649515 17.47567 7.744556 5.885567       11.61001 
1 1 1 1   6  0  o 92.35218 2.532899 417.8160       22.87499 419.0095       32.31061 416.6167       32.38978 92.44029 3.577653 92.17462 3.596871 0.2656708      5.073173 
1 1 1 1   6  1  o 738.4625 13.70894 26849.50       990.9197 26636.01       1394.311 27067.36       1408.542 733.0580 19.44907 738.9539 19.49061 -5.895874      27.53453 
1 1 1 1   6  2  o 89.46703 2.515473 392.1352       22.00684 411.3811       31.48971 373.7618       30.76759 91.59581 3.518806 87.29633 3.608516 4.299484       5.040177 
1 1 1 1   6  3  o 247.1044 4.851133 2990.835       117.3356 3005.848       166.4572 2976.008       165.4229 247.5267 6.876945 246.2948 6.868443 1.231903       9.719459 
1 1 1 1   6  4  o 116.1427 4.059139 661.3903       46.07483 636.7000       63.85884 688.2000       66.54333 113.8437 5.749290 118.3687 5.760596 -4.525070      8.138722 
1 1 1 1   6  5  o 417.3851 9.087716 8555.520       371.2769 8280.192       444.2771 9193.000       676.0260 410.1248 11.07719 430.7967 16.06001 -20.67191      19.50969 
1 1 1 1   6  6  f 263.2556 5.937375 3397.559       152.9953 3650.000       278.1209 3288.018       183.2068 272.1789 10.45880 258.7699 7.240169 13.40897       12.72032 
1 1 1 1   6  7  o 577.2231 12.47085 16439.94       704.6053 17050.00       1251.953 16157.12       852.4244 582.4873 21.99767 570.8868 15.26827 11.60052       26.77718 
1 1 1 1   6  8  o 124.6605 4.314241 762.2357       52.56350 770.2000       74.40311 754.3000       74.26911 125.1751 6.090774 123.8684 6.144681 1.306702       8.651856 
1 1 1 1   6  9  o 258.7633 5.868562 3282.753       148.6417 3352.081       184.3670 3154.000       251.2512 261.2663 7.216219 252.9971 10.16650 8.269211       12.46722 
1 1 1 1   6  10 o 260.0087 5.893242 3313.604       149.9852 3353.948       184.9057 3236.000       256.4523 261.3885 7.233949 256.3583 10.24066 5.030243       12.53799 
1 1 1 1   6  11 o 465.9450 10.09902 10662.42       460.5957 10193.00       545.3826 11830.00       860.1270 455.0372 12.25586 488.6262 18.01456 -33.58893      21.78831 
1 1 1 1   6  12 o 142.6480 4.486104 997.4148       62.56059 997.4148       62.56059 0.000000       0.000000 142.6480 4.486104 ?        ?        ?              ?        
1 1 1 1   6  13 o 377.7913 8.262765 6996.498       305.5509 6996.498       305.5509 0.000000       0.000000 377.7913 8.262765 ?        ?        ?              ?        
1 1 1 1   6  14 o 275.0732 5.382236 3705.570       144.9163 3721.286       167.5939 3659.000       288.4994 275.6262 6.212002 272.8568 10.82347 2.769379       12.47944 
1 1 1 1   6  15 f 322.6082 7.162234 5099.624       226.1675 4737.116       261.9272 6162.000       448.3958 310.7298 8.620082 353.9153 12.96554 -43.18549      15.56956 
1 1 1 1   6  16 o 573.0922 12.34069 16132.80       692.2612 16351.43       856.1708 15720.00       1176.473 576.2248 15.19292 563.2726 21.37697 12.95215       26.22593 
1 1 1 1   6  17 o 632.7784 11.77042 19665.34       729.0372 19824.32       846.7968 19210.00       1433.097 634.9536 13.62483 621.7090 23.59233 13.24457       27.24397 
1 1 1 1   6  18 o 191.1611 4.674355 1789.511       87.46358 1789.511       87.46358 0.000000       0.000000 191.1611 4.674355 ?        ?        ?              ?        
1 1 1 1   6  19 o 604.7179 16.02530 18048.86       947.7251 18330.00       1355.505 17780.00       1325.568 606.7847 22.86323 597.6716 22.69987 9.113037       32.21819 
1 1 1 1   6  20 o 216.8377 5.162942 2303.333       109.5818 2225.208       131.1516 2484.000       199.4438 212.9868 6.297843 224.7769 9.083604 -11.79004      11.05327 
1 1 1 1   6  21 o 147.1330 4.075913 1061.028       58.64389 1006.390       69.89186 1191.000       107.7954 143.2382 4.992592 155.6754 7.092783 -12.43718      8.673728 
1 1 1 1   6  22 o 151.9688 4.118481 1132.019       61.20646 1080.703       73.04268 1253.000       112.1532 148.4242 5.034949 159.6490 7.195431 -11.22484      8.782080 
1 1 1 1   6  23 o 413.2071 7.827816 8384.547       316.6027 8400.235       366.0898 8338.000       630.5850 413.3593 9.048026 409.6656 15.75499 3.693665       18.16829 
1 1 1 1   6  24 o 180.5388 4.552168 1598.307       80.38009 1598.307       80.38009 0.000000       0.000000 180.5388 4.552168 ?        ?        ?              ?        
1 1 1 1   6  25 o 285.4786 5.611907 3997.342       156.8160 4066.743       183.1870 3807.000       303.3751 287.8388 6.501884 277.4802 11.19268 10.35861       12.94413 
1 1 1 1   6  26 o 233.2010 4.742666 2666.151       108.2578 2681.594       125.4127 2621.000       214.4393 233.8080 5.479941 230.4244 9.528131 3.383621       10.99159 
1 1 1 1   6  27 o 334.5671 7.485928 5504.139       245.1518 5845.362       312.7092 4960.000       394.8900 344.2228 9.289495 315.9271 12.79625 28.29565       15.81261 
1 1 1 1   6  28 o 215.1890 5.197893 2271.889       109.4848 2382.808       138.0699 2084.000       179.6996 220.1455 6.414255 205.4102 8.959106 14.73531       11.01854 
1 1 1 1   6  29 o 127.4711 3.392961 796.6993       42.29708 800.9589       48.69098 783.6000       85.38544 127.7744 3.897683 126.0489 6.947384 1.725471       7.966058 
1 1 1 1   6  30 o 85.21507 3.960627 356.7400       32.94556 371.7493       40.10702 325.6000       57.76953 86.92457 4.731646 81.00748 7.366107 5.917091       8.754884 
1 1 1 1   6  31 o 179.7187 5.668009 1588.164       99.58331 1588.164       99.58331 0.000000       0.000000 179.7187 5.668009 ?        ?        ?              ?        
1 1 1 1   6  32 o 70.32522 4.385190 243.5729       30.03580 243.5729       30.03580 0.000000       0.000000 70.32522 4.385190 ?        ?        ?              ?        
1 1 1 1   6  33 o 212.0640 6.329517 2215.660       131.2373 2215.660       131.2373 0.000000       0.000000 212.0640 6.329517 ?        ?        ?              ?        
1 1 1 1   6  34 o 141.0428 4.137483 977.1811       57.05892 973.4414       69.09453 985.2000       101.1774 140.6496 5.026875 141.0656 7.352890 -0.4160309     8.906990 
1 1 1 1   6  35 o 194.9783 4.896316 1870.413       93.37231 1969.356       117.1395 1698.000       154.6303 199.8116 5.996086 184.7590 8.573706 15.05266       10.46238 
1 1 1 1   6  36 o 113.0144 3.451739 627.4019       38.13895 612.5328       43.52237 676.6000       79.16695 111.5965 3.990760 116.7229 6.960792 -5.126450      8.023640 
1 1 1 1   6  37 o 135.0727 3.569724 896.7130       47.15496 929.7424       55.06661 805.9000       91.30849 137.4477 4.097601 127.1587 7.367543 10.28907       8.430364 
1 1 1 1   6  38 f 102.3100 3.471246 514.9245       34.71205 515.8886       39.86236 511.9000       70.60435 102.3222 3.987669 101.1669 7.176544 1.155334       8.210011 
1 1 1 1   6  39 o 98.33006 3.524696 476.1021       33.86967 441.1775       38.25729 602.7000       72.83865 94.53857 4.144342 109.7814 6.811954 -15.24284      7.973599 
1 1 1 1   6  40 o 98.68867 3.526129 479.9464       34.00738 465.3294       38.93279 527.0000       69.85287 97.05344 4.107536 102.4118 7.010600 -5.358383      8.125292 
1 1 1 1   6  41 o 65.85997 4.081169 214.9365       26.18022 203.9509       29.90300 251.0000       54.17987 63.99353 4.809073 70.02202 8.051259 -6.028492      9.378164 
1 1 1 1   6  42 o 81.44065 3.706118 327.8430       29.46639 340.3003       33.79053 288.3000       60.20301 82.86666 4.179395 74.84803 8.359937 8.018631       9.346437 
1 1 1 1   6  43 o 22.04725 7.979863 21.12473       22.13842 12.22953       25.01127 53.31000       47.57585 20.63023 8.227718 33.06125 11.72960 -12.43102      14.32756 
1 1 1 1   6  44 o 86.72110 3.677270 372.1449       31.14366 377.3341       35.59436 355.2000       64.32053 87.18497 4.183139 83.04005 8.012659 4.144920       9.038880 
1 1 1 1   6  45 o 40.47462 6.050294 84.05299       23.23536 89.93763       26.05340 61.18000       51.36483 41.72330 6.598589 34.59203 12.19557 7.131271       13.86627 
1 1 1 1   6  46 o 100.1196 4.128023 498.4983       40.36777 477.9775       47.69794 550.3000       75.78336 97.66941 5.005944 103.3312 7.544652 -5.661812      9.054351 
1 1 1 1   6  47 o 33.50446 8.975801 61.33123       30.02723 61.33123       30.02723 0.000000       0.000000 33.50446 8.975801 ?        ?        ?              ?        
1 1 1 1   6  48 o 61.89079 5.245823 194.5128       31.48034 181.9527       37.33631 225.4000       58.54967 59.25509 6.546243 64.11826 9.626000 -4.863163      11.64101 
1 1 1 1   6  49 o 45.70694 7.848403 112.3218       33.84869 185.3000       46.85023 32.63000       48.95783 58.61107 8.406653 28.50726 11.46276 30.10381       14.21502 
1 1 1 1   6  50 o 63.22421 3.993934 200.4921       24.59038 192.2289       27.72125 231.0000       53.26561 61.64763 4.627771 65.23870 8.546661 -3.591072      9.719140 
1 1 1 1   6  51 f 71.83475 4.323051 259.9428       30.25637 225.9470       35.53802 349.5000       57.68073 66.35931 5.521205 81.27936 7.328741 -14.92004      9.175737 
1 1 1 1   6  52 o 49.72035 4.503031 125.5519       21.67782 114.9111       30.47832 136.4461       30.83899 46.43647 6.916110 50.99482 6.312979 -4.558346      9.364096 
1 1 1 1   6  53 o 33.56885 6.227776 60.06329       19.71004 69.61600       27.41024 49.83525       28.36257 35.33076 8.099369 29.69086 8.989469 5.639896       12.10001 
1 1 1 1   6  54 o 33.47788 6.168805 59.85005       19.47000 65.33311       26.79407 53.71585       28.34042 34.09124 8.141860 30.65058 8.913887 3.440664       12.07258 
1 1 1 1   6  55 o 32.71326 6.415884 57.77143       19.80968 89.72806       27.81245 24.86603       28.22230 40.48778 7.285806 23.21697 8.888175 17.27081       11.49272 
1 1 1 1   6  56 o 74.03207 3.678598 275.4937       26.57333 255.2017       36.91040 297.3288       38.28819 70.17899 5.415082 75.95102 5.181237 -5.772034      7.494554 
1 1 1 1   6  57 o 36.27172 5.862638 69.94701       20.10487 61.07951       27.36993 80.33906       29.62947 32.56882 8.497454 37.57996 8.278847 -5.011135      11.86364 
1 1 1 1   6  58 o 54.00490 4.880508 150.3006       25.52093 140.7193       31.32907 169.2000       44.00076 51.35964 6.368218 54.75224 8.484468 -3.392597      10.60851 
1 1 1 1   6  59 o 47.55877 4.874090 116.8515       22.36913 128.2351       31.55571 105.3532       31.71433 48.69417 6.806233 43.48141 7.735044 5.212757       10.30319 
1 1 1 1   6  60 o 63.43454 4.812820 207.1517       29.66051 229.0965       35.51972 156.6000       53.91019 66.21449 5.530849 49.87106 11.30552 16.34343       12.58590 
1 1 1 1   6  61 o 46.75231 6.137906 117.0421       27.41080 169.8000       39.53825 68.22000       38.03490 55.35143 7.489635 33.03923 10.47909 22.31220       12.88045 
1 1 1 1   6  62 o 35.12033 6.017783 66.78588       19.94328 53.68908       28.13097 80.01968       28.27771 29.93601 8.927774 37.25513 7.993881 -7.319115      11.98363 
1 1 1 1   7  0  o 225.2821 4.490138 2485.891       99.01308 2504.466       140.7182 2467.677       139.3432 225.9402 6.369187 224.2745 6.353859 1.665634       8.996559 
1 1 1 1   7  1  o 367.2353 6.958380 6613.356       250.1260 6647.958       355.0717 6579.271       352.4064 367.6967 9.874460 365.7950 9.851343 1.901794       13.94826 
1 1 1 1   7  2  o 238.8232 4.716243 2794.071       110.2501 2793.745       155.9029 2794.397       155.9314 238.6034 6.681888 238.6312 6.682330 -0.2781677E-01 9.449929 
1 1 1 1   7  3  o 345.9793 6.580176 5869.785       222.8403 5818.180       313.1884 5922.699       317.1364 343.9956 9.309922 347.0681 9.343733 -3.072449      13.19015 
1 1 1 1   7  4  o 185.8110 3.842728 1690.971       69.89034 1671.386       98.17893 1711.092       99.51434 184.5844 5.439903 186.7651 5.449395 -2.180725      7.699900 
1 1 1 1   7  5  o 238.4066 4.714123 2784.945       110.0083 2898.769       159.2406 2681.029       152.1517 242.9943 6.701414 233.6875 6.658528 9.306824       9.446955 
1 1 1 1   7  6  o 126.8644 4.323587 789.4107       53.61113 773.5000       75.03823 806.0000       76.62175 125.4384 6.130035 128.0526 6.130852 -2.614189      8.669756 
1 1 1 1   7  7  o 418.9763 9.134220 8629.265       374.5995 8978.000       666.4786 8468.221       452.9082 425.1190 16.04536 414.4476 11.17457 10.67145       19.55313 
1 1 1 1   7  8  o 145.3438 3.771492 1035.288       53.61039 1033.000       94.16804 1036.386       65.20945 144.9745 6.653731 145.3734 4.588424 -0.3989105     8.082437 
1 1 1 1   7  9  o 183.3611 5.497088 1649.020       98.54976 1624.000       138.0763 1675.000       140.7016 181.7667 7.778648 184.6012 7.804392 -2.834534      11.01889 
1 1 1 1   7  10 o 292.2439 8.040815 4192.224       229.7941 4424.000       336.6418 3990.000       314.4481 299.7677 11.49430 284.6899 11.30669 15.07782       16.12328 
1 1 1 1   7  11 o 320.5045 7.091094 5034.434       222.4609 5034.434       222.4609 0.000000       0.000000 320.5045 7.091094 ?        ?        ?              ?        
1 1 1 1   7  12 o 162.0549 4.880844 1287.188       77.33359 1287.188       77.33359 0.000000       0.000000 162.0549 4.880844 ?        ?        ?              ?        
1 1 1 1   7  13 o 255.2530 5.043829 3190.565       126.0194 3118.567       142.9280 3442.000       267.0962 252.3336 5.786766 264.6772 10.32951 -12.34360      11.83999 
1 1 1 1   7  14 o 417.1182 9.083765 8531.211       370.8781 8632.392       457.8028 8338.000       632.6222 419.2360 11.16607 411.2990 15.74284 7.937012       19.30073 
1 1 1 1   7  15 o 295.8887 6.607772 4289.266       191.3769 4227.274       231.2496 4424.000       340.9215 293.5588 8.055461 299.9507 11.63383 -6.391846      14.15049 
1 1 1 1   7  16 o 353.0302 6.733733 6106.455       232.6880 5974.145       264.2628 6563.000       490.8884 349.1220 7.733082 365.0817 13.76146 -15.95969      15.78539 
1 1 1 1   7  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   7  18 o 630.6149 11.74260 19540.68       724.8276 19507.78       836.2733 19640.00       1453.235 629.6634 13.56855 627.9626 23.68509 1.700745       27.29632 
1 1 1 1   7  19 o 233.4496 6.666366 2673.339       152.1750 2641.000       211.5730 2708.000       219.0370 231.7763 9.344938 234.6788 9.555352 -2.902512      13.36535 
1 1 1 1   7  20 o 162.7029 4.209047 1297.345       66.97621 1297.345       66.97621 0.000000       0.000000 162.7029 4.209047 ?        ?        ?              ?        
1 1 1 1   7  21 o 247.4223 5.719921 3000.455       138.5272 3020.476       170.0814 2961.000       238.7587 248.0572 7.011884 245.2269 9.967606 2.830307       12.18686 
1 1 1 1   7  22 o 441.9518 9.635430 9604.943       416.8235 9610.919       510.5517 9593.000       721.8205 441.4035 11.82740 439.2383 16.82001 2.165222       20.56210 
1 1 1 1   7  23 o 304.5555 5.915403 4548.917       176.3425 4594.616       204.8207 4418.000       346.6721 305.9751 6.838828 298.9778 11.86965 6.997284       13.69883 
1 1 1 1   7  24 o 173.1685 3.827956 1469.049       64.88465 1405.399       72.85929 1713.000       142.6380 169.2921 4.400586 186.5442 7.829137 -17.25214      8.981121 
1 1 1 1   7  25 f 267.4940 5.295083 3509.002       138.6414 3508.341       159.9161 3511.000       278.1888 267.3792 6.110242 266.5349 10.68465 0.8442688      12.30841 
1 1 1 1   7  26 o 247.2984 4.974815 2999.063       120.4216 3069.802       140.9622 2808.000       231.6656 250.1133 5.757841 238.3769 9.950553 11.73633       11.49636 
1 1 1 1   7  27 o 328.4503 6.351851 5298.492       204.2096 5319.063       236.3954 5238.000       405.3766 328.8919 7.343101 324.5855 12.78420 4.306427       14.74303 
1 1 1 1   7  28 o 163.9308 4.372971 1318.514       70.10600 1363.621       87.18721 1236.000       117.9217 166.6104 5.353138 158.3032 7.632723 8.307266       9.322797 
1 1 1 1   7  29 o 224.0244 5.363278 2463.318       117.6067 2436.595       143.0711 2519.000       206.5211 222.5490 6.575013 225.6869 9.369088 -3.137909      11.44599 
1 1 1 1   7  30 o 218.6103 5.256948 2345.943       112.4891 2345.943       112.4891 0.000000       0.000000 218.6103 5.256948 ?        ?        ?              ?        
1 1 1 1   7  31 o 264.5073 7.521017 3450.195       194.5267 3450.195       194.5267 0.000000       0.000000 264.5073 7.521017 ?        ?        ?              ?        
1 1 1 1   7  32 o 271.3040 6.273776 3621.011       166.6063 3593.928       202.9402 3677.000       291.7892 269.8316 7.691522 271.7383 10.99283 -1.906708      13.41647 
1 1 1 1   7  33 o 156.6155 4.293235 1204.695       65.75304 1236.764       80.83891 1142.000       113.0306 158.5560 5.215825 151.9024 7.626348 6.653656       9.239373 
1 1 1 1   7  34 f 183.5916 4.705319 1657.046       84.48700 1738.547       105.5884 1512.000       140.8598 187.8492 5.749266 174.5423 8.268307 13.30684       10.07070 
1 1 1 1   7  35 o 199.4585 4.318104 1954.591       84.30471 2004.783       98.39320 1816.000       163.5001 201.8751 4.979389 190.9202 8.772475 10.95493       10.08715 
1 1 1 1   7  36 o 97.95427 3.472009 471.5638       33.23709 472.7447       38.21983 467.9000       67.32180 98.01122 3.992240 96.92117 7.146544 1.090057       8.186028 
1 1 1 1   7  37 o 181.9116 4.078419 1627.477       72.62038 1669.561       84.72996 1511.000       140.9604 184.0411 4.707308 173.7674 8.311579 10.27371       9.552020 
1 1 1 1   7  38 o 106.1857 3.424294 554.6620       35.54471 524.0328       40.03829 668.6000       77.22220 103.1170 3.974229 115.7452 6.846640 -12.62820      7.916500 
1 1 1 1   7  39 o 71.54686 3.822778 252.7187       26.67450 247.0643       30.33465 272.0000       56.01625 70.63818 4.409246 73.22358 7.942553 -2.585396      9.084359 
1 1 1 1   7  40 o 70.48949 3.839527 245.5873       26.39158 270.4311       30.50757 171.7000       52.61182 73.90267 4.235099 57.26829 9.733621 16.63438       10.61506 
1 1 1 1   7  41 o 63.56070 4.102212 200.3160       25.38561 209.7698       29.05290 169.8000       52.19768 64.94292 4.600142 56.78868 9.740912 8.154236       10.77250 
1 1 1 1   7  42 o 119.7210 3.516858 707.2653       41.16806 728.0418       47.61051 645.7000       81.95654 121.3185 4.014839 112.7756 7.466454 8.542953       8.477433 
1 1 1 1   7  43 o 76.85344 3.795828 292.5013       28.46625 272.7988       32.01437 366.9000       62.21107 74.05301 4.437029 84.69446 7.584437 -10.64145      8.786974 
1 1 1 1   7  44 o 128.4211 3.605490 815.1819       45.27692 815.4576       51.87145 814.3000       92.78880 128.2428 4.137692 126.2771 7.541325 1.965645       8.601865 
1 1 1 1   7  45 o 109.0564 3.568702 588.4764       38.04366 575.1740       43.04005 636.0000       81.35053 107.6309 4.092808 111.3501 7.507747 -3.719177      8.550868 
1 1 1 1   7  46 o 81.01162 4.240470 327.1617       33.50834 327.1617       33.50834 0.000000       0.000000 81.01162 4.240470 ?        ?        ?              ?        
1 1 1 1   7  47 o 28.94421 8.541222 45.05386       25.85713 40.52111       29.76399 59.00000       52.20809 27.92054 9.300758 33.64401 12.24327 -5.723467      15.37536 
1 1 1 1   7  48 o 73.50500 5.547665 275.3057       39.62011 316.5000       52.77433 222.1000       59.97676 77.96399 6.989570 63.25152 10.02099 14.71247       12.21779 
1 1 1 1   7  49 o 59.45397 4.120981 177.4515       23.83372 160.8354       26.47442 248.5000       54.74437 56.31526 4.850000 67.94259 8.411201 -11.62733      9.709316 
1 1 1 1   7  50 o 60.70310 4.946821 187.3322       29.13836 188.7081       35.13247 184.3000       52.15600 60.39430 6.023247 57.41721 9.620167 2.977089       11.35020 
1 1 1 1   7  51 o 16.11023 6.912068 1.192624       19.53546 -10.39470      22.00387 44.32000       42.45063 15.04523 6.839658 29.37656 10.97786 -14.33133      12.93423 
1 1 1 1   7  52 o 23.37498 7.369376 29.05131       18.83587 17.10000       25.40935 43.63023       28.06393 21.18082 8.341888 28.08847 9.011559 -6.907642      12.27987 
1 1 1 1   7  53 o 18.82941 7.110793 14.97302       17.91188 5.987407       24.36224 25.54538       26.42587 18.56555 7.832545 23.25550 8.667201 -4.689955      11.68200 
1 1 1 1   7  54 o 37.65977 5.514161 74.29220       19.72437 67.66410       26.74790 82.19254       29.20238 34.72687 8.029366 38.35885 8.035386 -3.631977      11.35950 
1 1 1 1   7  55 o 38.13694 5.486114 76.31504       19.89085 81.73883       27.78300 70.61163       28.49014 38.35635 7.668287 35.19706 8.388867 3.159298       11.36555 
1 1 1 1   7  56 o 16.92926 6.991762 6.965229       18.81087 -3.523282      25.75262 18.96252       27.54268 17.22835 7.648432 21.78539 8.651815 -4.557032      11.54783 
1 1 1 1   7  57 o 32.54642 7.163952 58.65345       22.20282 44.04381       27.10186 88.47000       38.71755 27.78402 8.849615 38.21306 10.17205 -10.42904      13.48281 
1 1 1 1   7  58 o 14.51715 6.472678 -4.407007      18.64755 26.06429       25.42017 -39.90937      27.43857 22.94799 8.510583 13.59106 6.595100 9.356931       10.76686 
1 1 1 1   7  59 o 26.58020 8.194556 40.03126       23.43020 50.89528       26.86651 5.524000       47.88189 29.60493 8.698432 23.52490 10.43723 6.080021       13.58670 
1 1 1 1   7  60 o 36.56997 6.006377 71.63345       20.75448 61.97764       28.47158 82.58215       30.31787 32.54280 8.749927 37.89611 8.394598 -5.353306      12.12561 
1 1 1 1   7  61 o 28.30424 7.112060 45.04447       19.67710 25.63880       27.24206 66.21320       28.45266 22.89835 8.740767 33.56182 8.617277 -10.66347      12.27430 
1 1 1 1   7  62 o 24.45675 8.761073 33.16565       26.60443 62.63000       32.10601 -31.40000      47.52681 31.88016 9.544867 19.53932 9.264449 12.34085       13.30167 
1 1 1 1   8  0  o 128.3163 3.011568 806.2068       37.82516 792.4998       53.04768 820.3839       53.94943 127.1189 4.269399 129.3385 4.267247 -2.219604      6.036320 
1 1 1 1   8  1  o 203.1401 4.133343 2021.428       82.18704 2009.848       115.7905 2033.186       116.6746 202.3820 5.851279 203.5537 5.861972 -1.171631      8.282523 
1 1 1 1   8  2  o 422.6247 7.956622 8771.038       329.1469 8596.404       458.9757 8955.941       472.2773 417.5489 11.24013 426.1716 11.33162 -8.622742      15.96077 
1 1 1 1   8  3  o 424.2033 7.986090 8837.592       331.5999 8596.887       459.8862 9098.261       478.5785 417.5221 11.26319 429.4952 11.39390 -11.97314      16.02125 
1 1 1 1   8  4  o 273.3864 5.315471 3663.535       142.2411 3585.703       198.3337 3745.965       204.1091 270.1564 7.507517 276.1250 7.558907 -5.968597      10.65363 
1 1 1 1   8  5  o 491.5523 9.204744 11878.53       442.8817 11974.44       629.8185 11784.71       622.8973 492.2422 13.08325 488.3387 13.04302 3.903503       18.47408 
1 1 1 1   8  6  o 309.4589 6.872437 4697.921       208.1708 4620.003       251.8421 4866.000       369.8839 306.5900 8.399889 313.9525 12.05878 -7.362549      14.69600 
1 1 1 1   8  7  o 423.0154 7.977533 8782.659       330.3171 8563.194       459.3566 9017.652       475.3306 416.9580 11.26548 427.8642 11.35973 -10.90616      15.99858 
1 1 1 1   8  8  o 329.8879 8.965113 5346.299       289.2181 5140.000       398.0540 5577.000       420.9370 322.8538 12.62023 336.2801 12.81164 -13.42627      17.98356 
1 1 1 1   8  9  o 511.5017 11.07834 12854.79       554.6617 12460.00       936.9142 13067.81       688.2244 501.3044 19.12889 515.0223 13.66412 -13.71799      23.50793 
1 1 1 1   8  10 o 353.2122 13.55731 6145.000       467.8518 6145.000       467.8518 0.000000       0.000000 353.2122 13.55731 ?        ?        ?              ?        
1 1 1 1   8  11 o 865.5889 22.86795 37151.43       1935.818 37950.00       2780.269 36400.00       2696.953 868.9606 32.74599 851.2222 32.42793 17.73840       46.08547 
1 1 1 1   8  12 o 559.7619 14.83353 15422.11       812.0280 16550.00       1207.180 14490.00       1097.414 578.1474 21.36856 541.0985 20.75841 37.04889       29.79139 
1 1 1 1   8  13 o 212.0078 6.025044 2203.380       124.9043 2203.380       124.9043 0.000000       0.000000 212.0078 6.025044 ?        ?        ?              ?        
1 1 1 1   8  14 o 194.3975 5.621301 1852.443       106.8507 1852.443       106.8507 0.000000       0.000000 194.3975 5.621301 ?        ?        ?              ?        
1 1 1 1   8  15 o 142.1720 4.751970 990.9017       66.03637 990.9017       66.03637 0.000000       0.000000 142.1720 4.751970 ?        ?        ?              ?        
1 1 1 1   8  16 o 204.1986 6.193894 2044.643       123.6575 1968.000       171.3201 2128.000       178.6674 200.1351 8.766656 208.1245 8.790124 -7.989426      12.41453 
1 1 1 1   8  17 o 488.4420 9.147398 11703.90       437.3376 11698.57       504.5873 11720.00       876.7986 488.1387 10.56056 486.6792 18.43899 1.459473       21.24904 
1 1 1 1   8  18 o 279.4737 5.468430 3826.224       149.5925 3852.799       173.1477 3748.000       297.0686 280.3985 6.308626 275.9844 11.01894 4.414093       12.69708 
1 1 1 1   8  19 o 268.1984 7.562677 3530.600       198.3372 3184.000       262.4647 3992.000       302.8278 254.3226 10.56639 284.7713 10.88412 -30.44867      15.16947 
1 1 1 1   8  20 o 365.0170 6.956165 6534.232       248.5359 6519.259       286.3182 6580.000       500.5837 364.4748 8.025557 364.8808 14.04206 -0.4060059     16.17371 
1 1 1 1   8  21 o 239.9187 4.818388 2820.295       113.1546 2807.920       129.9911 2859.000       229.8935 239.3478 5.548528 240.9423 9.768070 -1.594482      11.23394 
1 1 1 1   8  22 f 285.2169 5.581188 3988.264       155.8146 3918.227       177.6314 4222.000       324.5037 282.6219 6.421075 292.4412 11.35799 -9.819275      13.04738 
1 1 1 1   8  23 o 379.4781 8.356572 7079.058       310.3996 7114.191       381.2686 7010.000       534.5338 379.8560 10.26370 375.6630 14.56445 4.193085       17.81760 
1 1 1 1   8  24 o 363.3251 6.941625 6482.180       246.8668 6504.177       285.4999 6417.000       491.4550 363.7378 8.018835 359.3962 13.99701 4.341583       16.13127 
1 1 1 1   8  25 o 222.5843 4.561276 2428.600       99.37728 2404.384       113.8670 2506.000       203.5714 221.4144 5.253948 225.3613 9.248152 -3.946899      10.63637 
1 1 1 1   8  26 o 131.8245 3.345327 851.8372       43.13105 831.1511       48.84208 925.1000       91.91714 130.1802 3.837224 137.0426 6.874225 -6.862381      7.872691 
1 1 1 1   8  27 o 178.1519 4.539998 1557.220       79.10397 1538.402       95.62907 1598.000       140.7760 176.9640 5.527536 179.9977 8.010224 -3.033691      9.732285 
1 1 1 1   8  28 o 271.6458 5.391303 3621.681       143.3517 3684.973       167.1918 3446.000       278.5498 273.8784 6.236645 263.6376 10.81715 10.24072       12.48625 
1 1 1 1   8  29 o 85.69205 4.885246 361.4307       40.80658 361.4307       40.80658 0.000000       0.000000 85.69205 4.885246 ?        ?        ?              ?        
1 1 1 1   8  30 o 160.5258 5.376582 1266.682       84.36146 1266.682       84.36146 0.000000       0.000000 160.5258 5.376582 ?        ?        ?              ?        
1 1 1 1   8  31 o 213.8128 4.505568 2243.112       94.29514 2234.400       108.5021 2270.000       190.6102 213.3074 5.196679 214.0605 9.117992 -0.7530518     10.49492 
1 1 1 1   8  32 o 136.0108 4.044120 908.2336       53.78005 979.1642       66.67011 776.1000       90.99576 141.1331 4.833230 125.2242 7.457585 15.90889       8.886827 
1 1 1 1   8  33 o 63.28199 5.505340 198.4040       33.76221 197.3000       44.50873 199.9000       51.81337 62.80036 7.381413 62.97232 8.632937 -0.1719589     11.35838 
1 1 1 1   8  34 o 197.3268 4.946295 1915.503       95.46185 1969.139       118.4277 1816.000       161.3048 199.8159 6.062048 191.1210 8.644872 8.694931       10.55851 
1 1 1 1   8  35 o 158.6461 4.324701 1237.797       67.09443 1302.075       83.16866 1118.000       113.5416 162.5342 5.234503 149.9506 7.762136 12.58363       9.362199 
1 1 1 1   8  36 o 113.5108 3.882089 633.8228       43.06946 633.8228       43.06946 0.000000       0.000000 113.5108 3.882089 ?        ?        ?              ?        
1 1 1 1   8  37 o 76.55200 3.634474 288.6411       27.15578 275.5499       30.64561 336.5000       58.59484 74.71002 4.207673 81.90228 7.388342 -7.192253      8.502477 
1 1 1 1   8  38 o 73.89779 3.715110 269.2952       26.78638 273.9764       30.52071 253.6000       55.88537 74.46064 4.204650 70.66315 8.233854 3.797493       9.245293 
1 1 1 1   8  39 o 65.66354 3.926830 213.1484       25.12373 191.2314       28.21675 297.0000       55.19144 62.04884 4.680377 76.66554 7.448474 -14.61670      8.796914 
1 1 1 1   8  40 o 88.91999 3.499453 389.9407       30.39884 376.4509       34.48167 437.0000       64.40320 87.25301 4.048434 93.06248 7.124282 -5.809479      8.194219 
1 1 1 1   8  41 o 52.00396 4.679968 135.0114       23.56783 123.9099       26.57534 175.9000       51.00226 49.59517 5.570548 57.94725 9.306907 -8.352081      10.84664 
1 1 1 1   8  42 o 65.55226 4.098109 213.2941       26.16371 186.8065       29.31227 317.1000       58.02830 61.13083 4.940790 78.76143 7.622114 -17.63060      9.083393 
1 1 1 1   8  43 o 47.97292 5.189147 115.9370       23.97938 113.8042       26.93048 124.1000       52.68526 47.31636 5.945642 47.42619 11.47485 -0.1098251     12.92373 
1 1 1 1   8  44 o 72.82874 3.887317 263.1853       27.61104 243.6150       30.84530 342.1000       61.93958 69.88721 4.533514 81.44993 7.866901 -11.56272      9.079697 
1 1 1 1   8  45 o 78.97195 4.273145 310.5457       32.90834 310.5457       32.90834 0.000000       0.000000 78.97195 4.273145 ?        ?        ?              ?        
1 1 1 1   8  46 o 71.91313 3.928598 257.4277       27.54859 249.1076       30.81030 290.6000       61.52036 70.55859 4.484281 74.15630 8.636954 -3.597702      9.731688 
1 1 1 1   8  47 o 17.87851 7.573174 3.260810       22.92695 -10.53603      25.68173 57.42000       50.88274 16.54918 7.469457 33.17631 12.08479 -16.62714      14.20687 
1 1 1 1   8  48 o 28.31253 7.426299 43.31290       20.83185 42.81257       22.95363 45.65000       49.60940 28.09819 7.976022 30.72131 11.77836 -2.623125      14.22486 
1 1 1 1   8  49 o 46.77392 5.623642 112.7893       25.23124 112.8911       29.33665 112.5000       49.45405 46.34087 6.658515 43.61393 11.44335 2.726944       13.23956 
1 1 1 1   8  50 f 37.93520 6.785178 76.66489       24.26977 78.07086       28.55882 73.01000       46.04588 37.75140 7.978704 35.28398 11.56066 2.467419       14.04666 
1 1 1 1   8  51 o 23.47026 8.528964 26.58772       25.32353 16.05025       31.13835 47.17000       43.51854 22.31120 9.079885 29.95200 11.13028 -7.640806      14.36411 
1 1 1 1   8  52 o 21.51063 8.861629 13.40082       30.11686 44.59000       42.67706 -17.54000      42.50680 29.24081 10.99047 20.40605 9.363515 8.834763       14.43835 
1 1 1 1   8  53 o 19.34520 7.127480 16.89170       17.77790 37.25829       24.65275 -5.174943      25.66105 26.12138 8.452109 17.06120 7.600860 9.060181       11.36711 
1 1 1 1   8  54 o 64.02746 3.753818 206.2623       23.42267 202.1109       32.32634 210.8506       33.98520 62.52264 5.333040 63.76231 5.498947 -1.239670      7.660270 
1 1 1 1   8  55 o 22.71176 7.223194 27.77682       18.06102 30.59812       24.38401 24.34769       26.88271 24.05861 8.408895 22.83265 8.690808 1.225960       12.09296 
1 1 1 1   8  56 o 47.94886 5.079406 118.9685       23.47741 104.6232       28.33282 150.4000       41.93910 44.02190 6.793660 51.60455 8.605689 -7.582649      10.96411 
1 1 1 1   8  57 o 21.33376 7.412585 23.35293       18.93297 26.14494       24.95170 19.56383       29.06766 22.91666 8.443847 22.13433 8.855677 0.7823238      12.23608 
1 1 1 1   8  58 o 32.69751 7.453421 59.83524       23.32269 57.29461       27.14963 66.99000       45.56071 31.45386 8.581630 32.81398 11.49248 -1.360113      14.34299 
1 1 1 1   8  59 o 27.84921 7.252128 43.47728       19.96085 44.39986       27.39890 42.43378       29.13923 27.74801 8.904325 27.24540 9.204080 0.5026131      12.80633 
1 1 1 1   8  60 o 46.03000 4.822540 109.6436       21.40599 110.5133       29.90308 108.7296       30.65626 44.91796 7.031772 44.36113 7.314820 0.5568275      10.14655 
1 1 1 1   8  61 o 37.64684 5.720891 75.67154       20.41879 105.9896       28.29002 42.70214       29.50108 43.98717 6.788777 27.10128 9.259616 16.88589       11.48164 
1 1 1 1   8  62 o 21.10555 7.373002 23.56552       18.74491 16.63302       26.25257 30.77600       26.77373 20.61362 8.356255 23.84900 8.753596 -3.235382      12.10175 
1 1 1 1   9  0  o 196.7045 4.038437 1895.298       77.75598 1871.197       109.1342 1920.146       110.8121 195.2826 5.715559 197.8214 5.728823 -2.538742      8.092405 
1 1 1 1   9  1  o 548.4467 10.25275 14802.46       550.4035 14851.88       781.4152 14753.80       775.3961 547.6366 14.59050 545.8524 14.52541 1.784241       20.58811 
1 1 1 1   9  2  o 228.8949 4.565421 2566.946       102.2877 2555.585       144.2749 2578.428       145.0413 228.1732 6.466334 229.1909 6.471772 -1.017715      9.148623 
1 1 1 1   9  3  o 436.2287 8.203586 9344.343       350.2871 9051.672       484.3482 9665.286       507.2034 428.4902 11.55866 442.7425 11.71403 -14.25226      16.45665 
1 1 1 1   9  4  o 310.5389 5.964605 4727.465       181.3026 4560.426       250.1917 4912.180       263.0959 304.6410 8.398330 316.1634 8.509250 -11.52234      11.95572 
1 1 1 1   9  5  o 246.9688 4.870133 2988.158       117.7306 3069.116       169.2339 2912.235       163.8872 250.0670 6.920580 243.5910 6.880386 6.475998       9.758798 
1 1 1 1   9  6  o 388.0988 7.335318 7386.641       278.6554 7290.044       390.3837 7486.983       397.8796 385.0237 10.36796 390.1827 10.42718 -5.159027      14.70445 
1 1 1 1   9  7  o 162.9995 4.093894 1301.856       65.26575 1252.514       77.80613 1419.000       119.8855 159.8325 4.979350 169.9767 7.222075 -10.14420      8.772245 
1 1 1 1   9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   9  9  o 535.3912 14.19479 14109.71       743.2296 14350.00       1063.109 13880.00       1039.461 538.3554 20.21036 529.4891 20.09248 8.866272       28.49854 
1 1 1 1   9  10 o 620.0605 16.37965 18946.94       993.2635 19150.00       1415.557 18750.00       1394.063 621.1942 23.32199 614.7037 23.21086 6.490417       32.90379 
1 1 1 1   9  11 o 353.9402 9.584085 6148.293       331.7316 6384.000       481.3067 5935.000       457.8504 360.1487 13.67804 347.2605 13.49552 12.88818       19.21504 
1 1 1 1   9  12 f 497.7258 18.80644 12240.00       914.5786 0.000000       0.000000 12240.00       914.5786 ?        ?        497.7258 18.80644 ?              ?        
1 1 1 1   9  13 o 307.5146 11.99017 4651.000       360.2170 0.000000       0.000000 4651.000       360.2170 ?        ?        307.5146 11.99017 ?              ?        
1 1 1 1   9  14 o 157.8622 4.162648 1221.015       64.26507 1176.479       75.88084 1334.000       120.8628 154.9146 5.010780 164.8115 7.511770 -9.896957      9.029651 
1 1 1 1   9  15 o 396.5318 7.508162 7706.804       291.4190 7703.434       336.1471 7717.000       584.6919 396.3480 8.664561 395.6175 15.12677 0.7304993      17.43255 
1 1 1 1   9  16 o 639.9068 11.92347 20120.76       746.8364 20687.61       879.8900 18660.00       1412.483 648.4033 13.86363 612.2520 23.61358 36.15131       27.38250 
1 1 1 1   9  17 o 292.8934 5.689775 4202.744       163.1214 4234.648       188.8503 4109.000       323.7162 293.9541 6.563446 288.9386 11.46875 5.015442       13.21405 
1 1 1 1   9  18 o 850.6948 15.87356 35738.31       1321.765 37284.24       1573.960 32040.00       2434.449 867.4865 18.53638 794.6530 31.35961 72.83350       36.42832 
1 1 1 1   9  19 o 206.5441 4.283919 2089.441       86.60845 2102.142       99.89759 2051.000       173.7883 207.1457 4.926890 204.2094 8.714416 2.936340       10.01076 
1 1 1 1   9  20 o 311.7354 6.023941 4764.154       183.8116 4715.065       210.4619 4922.000       377.3954 310.0396 6.935060 315.7901 12.23247 -5.750549      14.06159 
1 1 1 1   9  21 o 357.2071 6.821538 6260.401       238.5111 6268.532       275.3939 6236.000       477.0999 357.2906 7.874563 354.8947 13.76028 2.395905       15.85415 
1 1 1 1   9  22 o 433.7531 8.195436 9245.771       347.9532 9357.816       405.0081 8930.000       679.9103 436.0696 9.488590 423.3672 16.43820 12.70239       18.98019 
1 1 1 1   9  23 o 200.0112 4.868731 1961.015       95.31831 1873.633       113.1180 2175.000       177.0169 195.3401 5.922925 210.1077 8.625634 -14.76756      10.46339 
1 1 1 1   9  24 o 262.7764 5.210478 3386.212       134.0202 3337.667       153.1425 3545.000       276.9691 260.8016 5.999008 267.8311 10.58572 -7.029572      12.16739 
1 1 1 1   9  25 o 210.8405 4.370035 2179.021       90.18726 2158.641       103.1805 2245.000       185.6490 209.7996 5.024428 213.3022 8.911455 -3.502686      10.23029 
1 1 1 1   9  26 o 200.9234 4.231445 1978.911       83.21956 1973.161       95.53310 1997.000       169.4578 200.5801 4.865862 201.1560 8.626467 -0.5759583     9.904168 
1 1 1 1   9  27 o 248.0829 4.985219 3019.191       121.0563 3066.876       140.7965 2884.000       237.0689 249.9367 5.755136 241.3941 10.05527 8.542587       11.58577 
1 1 1 1   9  28 o 129.2670 4.753781 820.7739       60.04720 820.7739       60.04720 0.000000       0.000000 129.2670 4.753781 ?        ?        ?              ?        
1 1 1 1   9  29 o 314.2792 7.061976 4860.199       217.2442 4860.199       217.2442 0.000000       0.000000 314.2792 7.061976 ?        ?        ?              ?        
1 1 1 1   9  30 o 103.3802 3.359250 524.3160       33.94760 528.8718       38.52786 508.5000       71.78654 103.7944 3.798640 101.3538 7.284560 2.440598       8.215502 
1 1 1 1   9  31 o 91.63728 4.801030 413.3346       42.91364 383.6000       56.31865 454.5000       66.26549 88.04232 6.582788 95.79244 7.118113 -7.750122      9.695392 
1 1 1 1   9  32 o 203.6635 6.172812 2043.440       122.9138 2127.000       176.0654 1964.000       171.6707 207.1240 8.703749 198.9758 8.836380 8.148193       12.40310 
1 1 1 1   9  33 o 172.3057 3.920367 1456.837       66.11995 1502.558       77.28535 1332.000       127.7056 174.8558 4.519341 163.8979 7.984343 10.95796       9.174648 
1 1 1 1   9  34 o 333.5309 7.528752 5506.212       245.7906 5596.130       304.1644 5337.000       417.2548 335.1457 9.280829 324.3986 13.16800 10.74707       16.10993 
1 1 1 1   9  35 o 171.9803 4.546513 1455.646       76.46844 1471.074       93.76171 1425.000       132.1451 172.6540 5.555311 169.1750 8.002793 3.479019       9.741980 
1 1 1 1   9  36 o 64.71488 4.332516 206.9680       27.28610 207.0307       31.97817 206.8000       52.32584 64.60511 5.098145 63.80028 8.597529 0.8048325      9.995429 
1 1 1 1   9  37 o 151.0934 4.229414 1124.894       62.48914 1124.894       62.48914 0.000000       0.000000 151.0934 4.229414 ?        ?        ?              ?        
1 1 1 1   9  38 o 97.46072 3.432396 467.6029       32.69300 451.2801       36.93979 526.6000       70.22826 95.65070 3.954007 102.5052 7.042174 -6.854462      8.076286 
1 1 1 1   9  39 o 129.0583 3.531601 820.3990       44.57130 835.7884       51.40695 773.8000       89.45422 130.1363 4.040579 123.9991 7.403862 6.137268       8.434658 
1 1 1 1   9  40 o 174.3422 3.989969 1500.062       68.08923 1488.469       78.04612 1537.000       139.3125 173.3699 4.603156 173.9836 8.203524 -0.6136017     9.406745 
1 1 1 1   9  41 o 120.8205 3.503472 720.1042       41.38916 760.3962       48.33788 609.4000       80.12354 124.0141 3.987267 109.5736 7.515987 14.44042       8.508136 
1 1 1 1   9  42 o 30.13640 7.323616 47.73310       21.38870 51.14008       23.83752 33.66000       48.44748 31.12849 7.831367 29.70979 11.57222 1.418697       13.97307 
1 1 1 1   9  43 o 66.76026 4.001903 221.3042       26.03110 233.9454       29.28409 173.7000       56.82784 68.54933 4.387409 56.66523 10.63615 11.88411       11.50552 
1 1 1 1   9  44 o 160.0490 4.442858 1273.497       69.53465 1273.497       69.53465 0.000000       0.000000 160.0490 4.442858 ?        ?        ?              ?        
1 1 1 1   9  45 o 71.55032 3.889967 254.4414       27.14109 238.8016       30.16609 320.9000       62.18404 69.13606 4.481825 78.43208 8.221947 -9.296013      9.364142 
1 1 1 1   9  46 o 61.92146 4.687174 192.6477       28.19818 180.2420       32.03760 235.3000       59.40472 59.56989 5.558656 66.05778 9.456822 -6.487892      10.96951 
1 1 1 1   9  47 o 43.66598 5.389776 97.60608       22.54827 82.24643       24.67403 175.4000       55.52931 39.59830 6.597905 55.90526 10.53391 -16.30696      12.42962 
1 1 1 1   9  48 o 53.86686 4.398784 146.2503       22.99142 145.7906       25.43921 148.3000       53.71826 53.59534 4.903475 50.61508 11.14479 2.980259       12.17581 
1 1 1 1   9  49 o 49.99507 4.587493 126.6738       22.19958 119.9525       24.65217 155.5000       51.05340 48.36747 5.293443 52.17825 10.36156 -3.810780      11.63539 
1 1 1 1   9  50 o 31.73354 8.464108 56.09282       26.77395 22.14502       32.67976 125.4000       46.69412 23.81961 9.435550 46.46782 10.51266 -22.64821      14.12606 
1 1 1 1   9  51 o 80.22610 4.260422 324.1832       33.33609 389.3685       41.63799 207.8000       55.63654 87.56453 4.877246 60.67580 9.693898 26.88873       10.85169 
1 1 1 1   9  52 o 39.97632 6.187300 84.44242       23.42945 82.61019       27.06579 89.92000       46.79779 38.96329 7.366554 38.33541 11.53418 0.6278801      13.68589 
1 1 1 1   9  53 o 40.42603 8.370009 91.65080       32.02886 90.32000       43.60532 93.21000       47.19914 38.50369 11.01431 38.77369 11.56446 -0.2699966     15.97034 
1 1 1 1   9  54 o 41.43503 6.140767 91.19826       24.15286 123.8000       44.36500 77.46537       28.79394 45.58935 10.19764 37.06081 8.158798 8.528534       13.05978 
1 1 1 1   9  55 o 22.54234 7.581183 26.87658       19.76967 33.55121       23.92798 12.52000       35.09280 24.82186 8.340411 22.14744 9.374899 2.674423       12.54796 
1 1 1 1   9  56 o 18.24652 7.100588 13.07459       18.22671 36.08684       24.30663 -16.48834      27.54984 25.52482 8.401365 16.01188 7.415317 9.512941       11.20580 
1 1 1 1   9  57 o 19.23585 7.601226 14.14934       21.16090 12.99213       24.17608 17.94000       43.75597 19.70991 8.008292 24.43994 10.41147 -4.730030      13.13512 
1 1 1 1   9  58 o 31.90618 6.554933 55.57676       19.78620 65.63279       27.06925 44.04016       28.99359 33.84350 8.247857 27.72387 9.177865 6.119635       12.33938 
1 1 1 1   9  59 o 24.22411 7.404394 32.56103       19.18078 14.58064       26.03947 53.88940       28.36034 20.40817 8.304065 30.28863 8.946971 -9.880461      12.20679 
1 1 1 1   9  60 o 35.08480 6.017987 66.24958       19.92325 68.02878       27.28553 64.21764       29.15918 34.31894 8.229078 32.97086 8.850538 1.348087       12.08510 
1 1 1 1   9  61 o 35.99023 5.829392 69.58036       19.83407 69.08466       26.65582 70.19524       29.68772 34.56892 8.031401 34.35608 8.792421 0.2128410      11.90840 
1 1 1 1   9  62 o 19.95770 7.234660 19.99370       18.20575 17.74572       24.28197 22.87980       27.51339 20.46871 8.125285 22.14429 8.692786 -1.675577      11.89894 
1 1 1 1   10 0  o 510.4957 9.543467 12800.86       476.8749 12734.23       672.1928 12868.37       676.6351 508.0599 13.52880 510.7252 13.54705 -2.665222      19.14552 
1 1 1 1   10 1  o 519.8268 9.711843 13274.20       494.1588 13472.03       706.4305 13084.65       691.5006 522.5133 13.82444 514.9697 13.73069 7.543640       19.48454 
1 1 1 1   10 2  o 426.3660 8.021514 8918.820       334.7690 8765.970       467.6140 9079.525       479.4785 422.0327 11.32996 429.5016 11.41520 -7.468903      16.08337 
1 1 1 1   10 3  o 299.8179 5.781038 4404.704       169.6561 4347.857       237.9254 4463.507       241.9862 297.5856 8.175878 301.5167 8.206860 -3.931152      11.58436 
1 1 1 1   10 4  o 200.1826 4.106650 1962.344       80.46745 1923.176       112.4686 2003.420       115.1760 198.0338 5.808384 202.1252 5.827589 -4.091446      8.227887 
1 1 1 1   10 5  o 491.7563 9.194813 11865.90       442.5875 11769.85       622.3124 11964.21       629.5772 488.9578 13.01419 492.9714 13.05881 -4.013641      18.43642 
1 1 1 1   10 6  o 460.7787 9.980333 10419.93       450.1359 10278.96       545.7231 10720.00       796.1909 457.1769 12.20592 465.7121 17.49712 -8.535156      21.33386 
1 1 1 1   10 7  o 472.5110 10.21763 10955.84       472.5724 11212.45       588.5060 10490.00       792.9410 477.5207 12.60179 460.8333 17.61127 16.68738       21.65553 
1 1 1 1   10 8  o 546.3433 14.45913 14691.04       772.5599 14691.04       772.5599 0.000000       0.000000 546.3433 14.45913 ?        ?        ?              ?        
1 1 1 1   10 9  o 302.6108 6.752198 4486.402       200.0027 4458.000       345.9033 4500.667       245.1337 301.1051 11.75888 302.8997 8.275707 -1.794586      14.37910 
1 1 1 1   10 10 o 534.6995 14.17535 14066.60       741.2530 14440.00       1068.355 13720.00       1029.315 540.2869 20.23732 526.6912 20.00211 13.59570       28.45407 
1 1 1 1   10 11 o 686.5267 25.87132 23460.00       1735.420 0.000000       0.000000 23460.00       1735.420 ?        ?        686.5267 25.87132 ?              ?        
1 1 1 1   10 12 o 368.9517 9.982236 6683.084       360.1674 6337.000       491.3465 7085.000       529.4976 358.7126 14.02078 379.2787 14.28817 -20.56607      20.01834 
1 1 1 1   10 13 o 170.2433 5.483132 1420.997       91.25110 1427.000       129.0848 1415.000       129.0124 170.4508 7.757281 169.7289 7.786241 0.7219543      10.99095 
1 1 1 1   10 14 o 668.1861 17.66921 22046.96       1154.621 22730.00       1669.000 21420.00       1599.010 675.3364 25.29286 655.7155 24.95876 19.62091       35.53405 
1 1 1 1   10 15 f 285.2345 7.960965 3992.050       222.0491 3835.000       305.8870 4167.000       322.8488 279.2067 11.21537 291.0418 11.35460 -11.83505      15.95968 
1 1 1 1   10 16 o 268.6317 7.565009 3540.843       198.7194 3854.000       296.9948 3287.000       267.3935 279.8971 10.86099 258.4903 10.59061 21.40680       15.16978 
1 1 1 1   10 17 o 164.7852 4.962390 1331.331       79.95030 1331.331       79.95030 0.000000       0.000000 164.7852 4.962390 ?        ?        ?              ?        
1 1 1 1   10 18 o 120.1253 3.117438 706.9827       36.62447 692.3929       40.92937 765.6000       82.03956 118.8608 3.521840 124.7765 6.742180 -5.915771      7.606599 
1 1 1 1   10 19 o 377.7526 7.181421 7000.364       265.5364 7121.143       309.9279 6667.000       514.9031 380.8440 8.313950 367.0757 14.35827 13.76828       16.59161 
1 1 1 1   10 20 o 185.5989 5.461030 1689.972       99.10230 1689.972       99.10230 0.000000       0.000000 185.5989 5.461030 ?        ?        ?              ?        
1 1 1 1   10 21 o 351.6290 7.785783 6073.113       267.9744 5877.585       320.4328 6528.000       488.7464 345.4937 9.484221 362.9168 13.78353 -17.42307      16.73129 
1 1 1 1   10 22 o 113.0484 3.478265 626.5618       38.44292 626.5618       38.44292 0.000000       0.000000 113.0484 3.478265 ?        ?        ?              ?        
1 1 1 1   10 23 o 142.1758 3.383023 990.1138       47.08004 967.7596       53.11896 1072.000       101.6658 140.4909 3.866412 147.5679 7.058914 -7.076920      8.048442 
1 1 1 1   10 24 o 348.3967 6.691415 5961.583       228.1908 6153.262       268.8724 5468.000       431.4592 353.7366 7.765331 331.6766 13.31688 22.06006       15.41557 
1 1 1 1   10 25 o 174.6617 4.473161 1496.585       76.41189 1494.468       92.94717 1501.000       134.2107 174.4380 5.450320 174.4867 7.878445 -0.4862976E-01 9.579973 
1 1 1 1   10 26 o 285.0953 5.597293 3989.480       156.1976 4035.674       181.3969 3857.000       307.1932 286.6022 6.466126 278.8690 11.27721 7.733185       12.99947 
1 1 1 1   10 27 o 142.1975 3.951751 991.8904       54.94985 991.8904       54.94985 0.000000       0.000000 142.1975 3.951751 ?        ?        ?              ?        
1 1 1 1   10 28 o 101.3959 3.256916 504.2496       32.28268 510.1484       36.47082 482.9000       69.38365 101.9594 3.660304 98.80338 7.224222 3.156059       8.098593 
1 1 1 1   10 29 o 178.9594 3.962044 1570.241       69.40330 1569.065       79.52402 1574.000       142.1626 178.7840 4.547954 178.4727 8.159392 0.3113251      9.341283 
1 1 1 1   10 30 o 247.7063 5.768150 3015.634       139.8556 3059.625       171.7316 2929.000       240.9950 249.1508 7.048852 242.8481 10.16080 6.302673       12.36641 
1 1 1 1   10 31 o 268.7398 5.357537 3548.846       140.9300 3537.496       162.0926 3584.000       285.2620 268.1328 6.175999 268.1776 10.88979 -0.4483032E-01 12.51920 
1 1 1 1   10 32 o 142.9224 3.545151 1001.721       49.59538 1012.366       56.92797 968.2000       101.0219 143.5788 4.054754 139.8500 7.406246 3.728745       8.443548 
1 1 1 1   10 33 o 197.7557 4.940999 1922.584       95.64229 1932.296       116.9783 1903.000       166.1100 197.9442 6.044574 195.6438 8.695808 2.300385       10.59028 
1 1 1 1   10 34 o 148.7729 4.242878 1088.382       61.72298 1088.563       74.92864 1088.000       108.8698 148.6177 5.158579 147.9962 7.540223 0.6214905      9.135967 
1 1 1 1   10 35 o 73.88424 3.540070 268.6371       25.52728 277.4722       28.59825 234.0000       56.62459 75.04799 3.906536 67.96421 8.711826 7.083778       9.547615 
1 1 1 1   10 36 o 114.3494 3.998039 643.8712       44.68054 673.0115       54.80260 586.1000       77.16323 116.7549 4.805617 108.3073 7.321609 8.447617       8.757849 
1 1 1 1   10 37 o 133.3419 5.003827 879.2637       65.19347 898.0000       90.44332 859.0000       94.05784 134.1332 6.911959 131.0084 7.364473 3.124832       10.10003 
1 1 1 1   10 38 o 92.34395 3.855465 420.6430       34.77243 420.6430       34.77243 0.000000       0.000000 92.34395 3.855465 ?        ?        ?              ?        
1 1 1 1   10 39 f 88.89407 3.502200 389.6449       30.41370 401.4322       34.60156 349.6000       63.77657 90.14416 3.930947 82.90407 7.956782 7.240089       8.874837 
1 1 1 1   10 40 o 43.78480 5.219928 96.50320       21.93140 104.8361       24.70352 65.50000       47.65014 45.55432 5.662009 35.65942 11.76424 9.894901       13.05587 
1 1 1 1   10 41 o 84.97626 3.507462 356.6405       29.11134 339.9102       32.75708 419.5000       63.49505 82.82919 4.052621 90.90459 7.194509 -8.075409      8.257402 
1 1 1 1   10 42 f 95.25201 3.485042 448.2229       32.43812 463.1105       36.99396 398.7000       67.47176 96.70533 3.916278 88.13051 7.905385 8.574821       8.822265 
1 1 1 1   10 43 o 28.91520 7.935931 44.14316       23.13853 44.14316       23.13853 0.000000       0.000000 28.91520 7.935931 ?        ?        ?              ?        
1 1 1 1   10 44 o 89.86246 3.564995 399.7815       31.29542 384.5860       35.21304 456.9000       68.27073 87.97289 4.100577 94.32116 7.455263 -6.348274      8.508565 
1 1 1 1   10 45 o 92.20568 4.062988 422.9843       36.57983 405.1610       42.62430 472.8000       71.26004 89.92291 4.860691 95.55035 7.683904 -5.627441      9.092233 
1 1 1 1   10 46 o 69.57642 3.891845 241.2876       26.39912 210.1044       28.89435 398.8000       64.93972 64.67686 4.594030 87.41451 7.667191 -22.73764      8.938172 
1 1 1 1   10 47 o 55.72797 4.299636 156.1230       23.27245 150.0536       25.60158 185.0000       55.84352 54.43019 4.856253 57.44225 10.31085 -3.012066      11.39723 
1 1 1 1   10 48 o 30.44918 6.729039 49.61397       19.52089 27.64177       21.10285 179.9000       51.38699 23.30543 7.832597 56.92914 9.560269 -33.62370      12.35914 
1 1 1 1   10 49 o 48.70990 7.828293 127.9633       36.05988 98.95000       49.92796 159.6000       52.13644 40.55204 11.84224 52.74594 10.46776 -12.19390      15.80546 
1 1 1 1   10 50 o 32.80071 6.411345 57.32299       19.84627 57.70863       22.07857 55.70000       45.29377 32.64477 7.111257 31.71831 11.42288 0.9264584      13.45557 
1 1 1 1   10 51 f 53.81313 4.320690 146.5850       22.56760 143.4741       25.27851 158.8000       50.09059 52.97273 4.931865 52.47675 10.11852 0.4959755      11.25645 
1 1 1 1   10 52 o 64.61504 4.385457 211.5056       27.57234 218.6937       32.00243 190.8000       54.31489 65.35754 5.041368 57.51907 10.01061 7.838470       11.20838 
1 1 1 1   10 53 o 30.24828 8.339022 51.78957       25.48414 61.43000       30.40807 29.04000       46.71188 32.59085 9.155853 26.81818 11.04099 5.772673       14.34340 
1 1 1 1   10 54 o 49.63159 5.415992 128.1746       25.88484 136.0000       34.81351 118.5000       38.70897 49.96988 7.335876 45.44892 9.019646 4.520966       11.62622 
1 1 1 1   10 55 o 30.41259 8.076345 52.52988       24.44395 30.15000       45.66300 61.51893       28.93959 26.59828 10.92977 32.56215 8.850093 -5.963877      14.06357 
1 1 1 1   10 56 o 35.20232 9.204656 72.97582       32.06904 133.9000       46.52978 17.85000       44.26023 47.05411 10.38137 24.53349 10.46194 22.52062       14.73855 
1 1 1 1   10 57 o 30.27460 6.509266 50.08210       18.71550 39.25471       24.64924 64.82084       28.75890 26.38410 8.443599 33.39035 8.709710 -7.006252      12.13068 
1 1 1 1   10 58 o 69.80891 3.675472 245.4890       25.02634 227.7362       33.52053 267.8472       37.61798 66.28994 5.207819 71.77627 5.393828 -5.486328      7.497650 
1 1 1 1   10 59 o 24.86198 7.577196 34.54576       20.10575 24.12783       24.33197 56.97000       35.69812 22.21787 8.309484 30.69783 10.18464 -8.479956      13.14437 
1 1 1 1   10 60 o 52.57195 4.276347 141.4169       21.81572 187.6960       30.55438 93.28928       31.15866 59.97298 5.258032 40.34697 8.170237 19.62601       9.715949 
1 1 1 1   10 61 o 35.01319 5.770491 65.91769       19.08821 62.22337       25.75273 70.42194       28.43588 32.67792 8.093760 34.56393 8.471854 -1.886017      11.71671 
1 1 1 1   10 62 o 24.98309 7.235859 35.61592       18.70946 23.32915       24.92704 51.46809       28.31368 21.78093 8.349473 29.11193 9.013861 -7.330996      12.28672 
1 1 1 1   11 0  o 271.2243 5.291223 3603.101       140.4724 3661.564       200.7127 3546.971       196.6650 273.2037 7.512673 268.8941 7.479312 4.309540       10.60096 
1 1 1 1   11 1  o 602.6194 11.21130 17835.56       661.3105 17580.68       925.5918 18101.34       945.1845 597.0483 15.85215 605.8011 15.95359 -8.752747      22.49017 
1 1 1 1   11 2  o 622.7431 11.57727 19049.40       705.7019 18898.72       991.8857 19203.86       1004.256 618.9317 16.38683 623.8898 16.45924 -4.958069      23.22573 
1 1 1 1   11 3  o 481.2010 9.004010 11356.76       424.1004 11482.13       604.4365 11235.19       595.2071 483.1595 12.79193 477.9428 12.73424 5.216705       18.04978 
1 1 1 1   11 4  o 493.0713 9.215467 11923.94       444.7678 12149.92       637.4040 11709.49       620.9134 497.0103 13.11363 487.9314 13.01230 9.078918       18.47396 
1 1 1 1   11 5  o 1002.939 18.59188 49640.64       1825.174 49151.92       2562.590 50143.80       2600.191 993.5021 26.37475 1003.403 26.49745 -9.900635      37.38639 
1 1 1 1   11 6  o 413.9636 9.001312 8402.651       364.7322 8337.918       444.5312 8536.000       638.0179 412.0255 11.03222 416.1496 15.69119 -4.124054      19.18132 
1 1 1 1   11 7  o 573.0396 15.14823 16166.78       848.9296 16166.78       848.9296 0.000000       0.000000 573.0396 15.14823 ?        ?        ?              ?        
1 1 1 1   11 8  o 341.6052 6.521389 5716.756       218.0574 5983.520       317.7372 5479.256       299.8030 349.1848 9.304512 334.1491 9.174889 15.03574       13.06723 
1 1 1 1   11 9  o 473.3322 8.877696 10985.20       411.3131 11910.60       615.8492 10240.01       552.6401 492.2148 12.79328 456.4335 12.38112 35.78128       17.80338 
1 1 1 1   11 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   11 11 o 640.4650 16.92755 20231.81       1060.266 20580.00       1517.824 19900.00       1481.714 643.3999 24.14378 632.7384 23.96734 10.66150       34.01993 
1 1 1 1   11 12 o 274.6797 7.680073 3701.062       206.2869 3803.000       296.9625 3606.000       286.7718 278.1162 10.92988 270.8161 10.84012 7.300140       15.39385 
1 1 1 1   11 13 o 321.9549 8.829904 5087.554       278.0013 5281.000       403.0459 4912.000       383.9550 327.5446 12.59470 315.8991 12.44159 11.64548       17.70366 
1 1 1 1   11 14 f 366.9348 9.951960 6613.240       357.1104 7249.000       537.5491 6111.000       477.7788 383.4533 14.34716 352.1087 13.88982 31.34460       19.96918 
1 1 1 1   11 15 o 284.0071 7.921551 3958.562       219.9993 4140.000       320.5524 3797.000       302.4851 290.0368 11.31288 277.7663 11.14811 12.27051       15.88275 
1 1 1 1   11 16 o 500.8239 13.34809 12363.40       653.7671 12760.00       945.4518 12000.00       905.0064 506.9328 19.08795 491.6748 18.83961 15.25803       26.81941 
1 1 1 1   11 17 o 371.2088 10.05918 6776.758       365.1629 6581.000       506.2920 6989.000       527.1776 364.9249 14.20107 376.0456 14.34854 -11.12067      20.18789 
1 1 1 1   11 18 o 298.2193 8.266829 4369.600       241.0803 4289.000       337.0788 4454.000       344.9351 294.8774 11.70165 300.4949 11.74984 -5.617523      16.58274 
1 1 1 1   11 19 o 344.2579 6.600580 5813.375       222.4192 5532.101       247.2405 7007.000       509.3174 335.7127 7.523944 376.2573 13.85286 -40.54462      15.76425 
1 1 1 1   11 20 o 209.0454 5.003403 2141.890       102.3793 2057.831       121.7349 2345.000       189.2299 204.7408 6.081155 218.2099 8.878035 -13.46912      10.76104 
1 1 1 1   11 21 o 189.0052 4.665580 1750.831       86.31489 1708.882       103.6062 1846.000       156.0526 186.5773 5.679717 193.6067 8.253574 -7.029419      10.01902 
1 1 1 1   11 22 o 239.1449 5.572544 2805.151       130.4430 2771.079       158.0310 2878.000       231.0733 237.4631 6.805943 241.4806 9.796340 -4.017471      11.92850 
1 1 1 1   11 23 o 82.94136 2.921733 337.3210       23.68313 326.0284       26.04288 391.3000       56.93809 81.51945 3.270423 89.02655 6.580485 -7.507095      7.348364 
1 1 1 1   11 24 o 322.3626 6.230227 5102.632       196.5870 5137.095       227.7742 5002.000       389.2274 323.2716 7.198312 317.3387 12.55545 5.932892       14.47256 
1 1 1 1   11 25 o 250.0417 5.005797 3066.854       122.5157 3154.391       143.4613 2831.000       235.4825 253.4884 5.781896 239.1963 10.08028 14.29211       11.62077 
1 1 1 1   11 26 o 351.1168 7.784000 6069.171       267.5227 6069.171       267.5227 0.000000       0.000000 351.1168 7.784000 ?        ?        ?              ?        
1 1 1 1   11 27 o 149.9657 3.533116 1102.095       51.86280 1085.375       58.65553 1162.000       111.0263 148.7405 4.032500 153.4763 7.412497 -4.735794      8.438375 
1 1 1 1   11 28 o 192.7252 4.125963 1821.272       77.83413 1813.648       89.02815 1846.000       160.3338 192.2643 4.730669 193.2563 8.496658 -0.9920349     9.724835 
1 1 1 1   11 29 o 197.5893 4.829770 1916.226       93.41058 1956.255       114.1292 1835.000       162.5779 199.4241 5.853062 192.5614 8.647597 6.862717       10.44219 
1 1 1 1   11 30 o 214.3601 4.476492 2254.868       93.92649 2297.704       109.3107 2134.000       183.6165 216.2917 5.163172 207.4913 9.062632 8.800339       10.43023 
1 1 1 1   11 31 o 169.1839 3.834298 1403.992       63.49670 1405.852       72.68995 1398.000       130.4439 169.1805 4.393246 168.0219 7.954018 1.158630       9.086639 
1 1 1 1   11 32 o 183.1043 4.019927 1645.452       72.04814 1655.277       82.86066 1615.000       145.8712 183.5113 4.616622 180.4051 8.282757 3.106186       9.482471 
1 1 1 1   11 33 o 199.8726 4.264637 1962.368       83.43371 1971.898       96.02245 1933.000       168.5559 200.2399 4.899096 197.0244 8.762045 3.215530       10.03865 
1 1 1 1   11 34 o 110.4181 3.289860 598.7690       35.51725 580.8524       39.74503 669.8000       79.13659 108.6967 3.741175 116.1068 6.995726 -7.410088      7.933258 
1 1 1 1   11 35 o 36.61322 6.304226 68.17054       21.77805 55.79181       24.35281 117.6000       48.66359 32.84386 7.708310 47.35616 10.74563 -14.51230      13.22447 
1 1 1 1   11 36 o 144.1523 4.159578 1023.752       58.63036 983.6937       69.26435 1125.000       110.1179 141.0875 5.023527 150.0138 7.523307 -8.926346      9.046325 
1 1 1 1   11 37 o 170.6495 3.890745 1433.705       64.98961 1393.854       73.09962 1584.000       141.9609 168.0515 4.447833 177.4040 8.197371 -9.352509      9.326312 
1 1 1 1   11 38 o 117.7395 4.999957 687.2834       57.49165 706.4000       78.44503 665.1000       84.50351 118.7364 6.777712 114.8777 7.557038 3.858734       10.15117 
1 1 1 1   11 39 o 98.34501 4.973961 480.6552       47.72528 480.6552       47.72528 0.000000       0.000000 98.34501 4.973961 ?        ?        ?              ?        
1 1 1 1   11 40 f 170.7899 3.944555 1440.387       65.94263 1423.981       75.19796 1495.000       137.1989 169.5133 4.536140 171.3087 8.205969 -1.795334      9.376273 
1 1 1 1   11 41 o 34.51860 6.271219 61.48967       20.40882 64.01300       22.52122 49.90000       48.26595 35.09911 6.800901 32.50734 11.78029 2.591774       13.60248 
1 1 1 1   11 42 f 50.02551 5.151692 125.9532       24.86570 125.9532       24.86570 0.000000       0.000000 50.02551 5.151692 ?        ?        ?              ?        
1 1 1 1   11 43 o 75.65712 3.632344 283.5530       26.82084 265.8307       29.74237 360.7000       62.05484 73.10728 4.173659 83.71842 7.657363 -10.61115      8.720931 
1 1 1 1   11 44 o 42.92742 5.831822 94.22699       23.87136 77.48074       27.02400 153.7000       50.92730 38.34020 7.469559 53.14100 10.16092 -14.80080      12.61105 
1 1 1 1   11 45 o 56.83245 4.259239 161.6191       23.52144 150.5177       25.91610 213.5000       56.02520 54.64108 4.897447 62.98981 9.371743 -8.348732      10.57424 
1 1 1 1   11 46 o 89.33054 3.529645 396.3559       30.80219 392.3948       34.35309 412.6000       69.56695 88.71213 3.966214 88.44680 8.126287 0.2653275      9.042533 
1 1 1 1   11 47 o 43.20843 5.231544 95.62185       21.67602 95.02585       23.83633 98.47000       52.10710 42.84585 5.835095 40.65278 12.15704 2.193069       13.48488 
1 1 1 1   11 48 o 47.71696 8.169734 123.5583       36.78670 126.0000       50.09248 120.7000       54.19825 46.34630 11.17346 44.74157 12.09076 1.604733       16.46307 
1 1 1 1   11 49 o 51.75725 4.299559 135.2836       21.58567 125.2408       23.46019 190.7000       55.10925 49.55767 4.900396 57.99117 10.07394 -8.433495      11.20260 
1 1 1 1   11 50 o 62.25891 3.925546 194.6399       23.80078 201.8529       26.69681 166.7000       52.54287 63.23034 4.339795 53.77179 10.35851 9.458549       11.23088 
1 1 1 1   11 51 o 72.72295 3.638161 264.7121       25.81536 275.9109       29.14277 223.9000       55.63393 74.06123 4.035315 63.19176 9.269897 10.86947       10.11013 
1 1 1 1   11 52 o 36.01419 5.843739 68.37856       19.89473 59.86830       21.82968 110.1000       48.33431 33.18742 6.943395 42.36890 11.40434 -9.181480      13.35177 
1 1 1 1   11 53 o 36.31482 6.266827 70.54977       21.47129 70.54977       21.47129 0.000000       0.000000 36.31482 6.266827 ?        ?        ?              ?        
1 1 1 1   11 54 o 23.93066 7.057549 31.38505       17.65858 13.48992       22.49332 60.13036       28.50818 19.45677 7.788180 32.21952 8.795029 -12.76275      11.74769 
1 1 1 1   11 55 o 42.02213 6.327515 94.40542       25.21995 95.14000       30.27524 92.74000       45.58594 41.35093 7.764979 38.36381 11.34602 2.987114       13.74871 
1 1 1 1   11 56 o 25.02133 7.362249 34.73737       19.23476 7.291000       26.24970 66.56263       28.26623 19.13477 8.104266 33.97377 8.517055 -14.83900      11.75667 
1 1 1 1   11 57 o 38.61298 6.971305 81.68512       25.37901 96.01000       47.41610 75.93358       30.04501 38.60059 11.60927 36.24008 8.599886 2.360512       14.44760 
1 1 1 1   11 58 o 41.10524 6.527374 91.41899       25.38598 120.9000       47.02172 79.29142       30.15880 43.88821 10.97525 37.04425 8.498309 6.843960       13.88083 
1 1 1 1   11 59 o 43.55963 4.753971 98.15526       19.94106 110.0582       26.87856 83.58322       29.73984 45.33022 6.221734 38.22599 8.194469 7.104233       10.28880 
1 1 1 1   11 60 o 40.85444 5.114290 87.48409       20.00492 71.26804       26.68391 108.2952       30.22903 35.24698 7.927075 44.16773 7.243023 -8.920750      10.73778 
1 1 1 1   11 61 o 26.07239 7.276672 38.75821       19.27395 52.92102       27.00864 24.06116       27.51332 29.73742 8.717078 22.39563 8.721453 7.341795       12.33090 
1 1 1 1   12 0  o 481.4083 9.007958 11363.78       424.4692 11356.01       599.9608 11371.58       600.6199 480.6196 12.76438 480.9484 12.76966 -0.3287659     18.05530 
1 1 1 1   12 1  o 746.5902 13.84210 27401.34       1011.557 27871.40       1448.936 26954.39       1412.862 750.9993 19.72785 738.5935 19.56007 12.40582       27.78100 
1 1 1 1   12 2  o 324.7605 6.225710 5166.458       197.9057 5018.164       274.2795 5327.519       285.8402 319.8049 8.770257 329.5127 8.870338 -9.707825      12.47399 
1 1 1 1   12 3  o 396.0087 7.478952 7685.042       289.9023 7850.074       416.0414 7529.285       404.1834 399.8339 10.63988 391.5837 10.55465 8.250122       14.98692 
1 1 1 1   12 4  o 501.0909 9.362793 12313.52       459.2278 12512.74       656.8765 12123.07       642.2625 504.4373 13.31528 496.5308 13.22657 7.906494       18.76802 
1 1 1 1   12 5  o 716.9793 15.37204 25296.15       1078.809 25319.34       1322.350 25250.00       1865.496 716.0770 18.88250 711.9063 26.81899 4.170654       32.79950 
1 1 1 1   12 6  f 334.5646 7.379212 5485.130       241.6552 5564.000       299.1490 5337.000       409.9711 336.7296 9.084415 329.3595 12.74080 7.370148       15.64783 
1 1 1 1   12 7  o 160.2257 3.540263 1256.810       55.52311 1273.069       79.14594 1241.053       77.91168 161.1564 5.023491 159.1158 5.008692 2.040604       7.093832 
1 1 1 1   12 8  o 444.7468 11.86103 9720.437       515.8859 9050.000       691.8553 10560.00       774.2181 428.2878 16.53446 462.5561 17.12945 -34.26822      23.80770 
1 1 1 1   12 9  o 315.4182 8.600069 4881.666       265.2708 4759.000       366.9130 5016.000       383.9668 311.0364 12.07456 319.3054 12.30822 -8.268951      17.24202 
1 1 1 1   12 10 o 241.1260 5.581599 2847.810       131.7374 2712.000       222.4039 2921.215       163.5082 234.9191 9.692859 244.0688 6.850951 -9.149780      11.86958 
1 1 1 1   12 11 o 453.1852 12.10025 10097.90       536.2747 9952.000       750.6442 10250.00       766.4156 448.8636 17.11630 455.5185 17.22007 -6.654877      24.27959 
1 1 1 1   12 12 o 540.9864 14.36278 14416.72       759.8829 14600.00       1084.573 14240.00       1064.969 542.6208 20.45664 535.9202 20.33853 6.700684       28.84666 
1 1 1 1   12 13 o 502.3110 13.36932 12423.91       656.7527 12660.00       941.3395 12200.00       916.7266 505.4941 19.05911 496.2610 18.90682 9.233063       26.84618 
1 1 1 1   12 14 o 623.6660 16.53937 19222.64       1008.774 20240.00       1480.059 18340.00       1378.584 636.6937 23.79067 606.2913 23.27303 30.40240       33.28107 
1 1 1 1   12 15 o 152.6368 5.220614 1142.733       77.88386 1061.000       107.2296 1234.000       113.3106 146.8944 7.482317 158.4610 7.325187 -11.56657      10.47108 
1 1 1 1   12 16 o 332.1565 9.089930 5422.354       295.2576 5445.000       418.9183 5400.000       416.2094 332.1436 12.90996 330.7728 12.87973 1.370850       18.23608 
1 1 1 1   12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   12 19 o 265.4760 7.503450 3463.493       194.7855 3635.000       284.4214 3312.000       267.3108 271.3997 10.72761 259.0750 10.56323 12.32468       15.05535 
1 1 1 1   12 20 o 250.8981 7.175129 3093.773       176.0302 2851.000       236.7348 3394.000       263.2612 240.3483 10.08512 262.2354 10.27616 -21.88704      14.39823 
1 1 1 1   12 21 o 220.0627 6.477087 2379.203       139.3669 2352.000       196.0387 2407.000       198.1676 218.3770 9.191805 220.9214 9.184104 -2.544342      12.99373 
1 1 1 1   12 22 o 386.6706 8.518503 7358.263       322.4116 7335.221       393.9529 7405.000       561.0601 385.3864 10.45305 385.4279 14.89974 -0.4156494E-01 18.20078 
1 1 1 1   12 23 o 183.1510 4.573722 1644.601       81.99461 1637.853       99.36897 1659.000       145.1465 182.6135 5.565689 183.4299 8.104076 -0.8164215     9.831223 
1 1 1 1   12 24 o 138.7994 3.330987 943.8192       45.25501 930.2269       50.72906 996.8000       100.1543 137.7257 3.766547 142.1971 7.219319 -4.471359      8.142816 
1 1 1 1   12 25 o 246.6763 5.681652 2987.301       137.1855 2987.301       137.1855 0.000000       0.000000 246.6763 5.681652 ?        ?        ?              ?        
1 1 1 1   12 26 o 322.9713 6.249083 5125.478       197.5542 5065.404       225.8736 5321.000       407.4933 320.8660 7.191767 326.7829 12.76412 -5.916962      14.65074 
1 1 1 1   12 27 o 122.4545 3.228823 735.2262       38.66751 711.0556       43.03515 836.5000       88.09032 120.3920 3.656142 130.2124 6.936485 -9.820435      7.841058 
1 1 1 1   12 28 o 262.6927 7.434619 3402.269       190.9748 3584.000       275.8555 3235.000       264.6510 268.6481 10.51067 255.1744 10.61892 13.47368       14.94108 
1 1 1 1   12 29 o 163.6250 3.719532 1312.673       59.57226 1293.189       67.53407 1381.000       126.4671 162.3058 4.254586 167.1529 7.750705 -4.847153      8.841659 
1 1 1 1   12 30 o 301.3195 5.894785 4466.174       173.8607 4573.007       203.3624 4176.000       335.1577 304.6410 6.819871 288.9083 11.87709 15.73267       13.69583 
1 1 1 1   12 31 o 142.7891 3.483064 999.8516       48.68136 983.3295       54.86532 1061.000       105.5502 141.5075 3.964975 146.3980 7.389661 -4.890457      8.386186 
1 1 1 1   12 32 o 215.8924 5.234028 2293.031       110.6062 2184.895       130.7590 2565.000       207.3702 210.3876 6.356873 226.8647 9.358505 -16.47710      11.31333 
1 1 1 1   12 33 o 142.5771 3.493833 997.6289       48.75938 977.8588       54.85875 1072.000       106.4004 141.0446 3.977563 146.9092 7.423315 -5.864609      8.421794 
1 1 1 1   12 34 o 109.8977 3.278393 593.2909       35.22654 594.4630       39.65064 588.9000       76.74194 109.9520 3.689405 108.7092 7.253575 1.242821       8.137939 
1 1 1 1   12 35 o 166.6624 4.438999 1368.782       72.35059 1300.950       85.01141 1547.000       137.7966 162.2220 5.361151 175.8463 8.026862 -13.62428      9.652589 
1 1 1 1   12 36 o 77.09541 3.366359 292.6505       25.34235 299.2007       28.01057 263.1000       59.49483 77.90926 3.683479 71.87440 8.628992 6.034859       9.382298 
1 1 1 1   12 37 o 115.4148 3.932204 656.9077       44.35769 663.4448       52.68939 641.0000       82.19283 115.8121 4.657467 112.8939 7.480205 2.918243       8.811666 
1 1 1 1   12 38 o 86.28835 3.927548 367.8940       33.08565 342.9381       37.53668 454.8000       70.04771 83.14861 4.630345 94.78438 7.614072 -11.63577      8.911464 
1 1 1 1   12 39 o 73.22551 4.017347 265.5245       28.68408 265.6957       32.37778 264.9000       61.84036 73.13000 4.545669 71.49421 9.038440 1.635796       10.11714 
1 1 1 1   12 40 o 121.3453 4.933336 732.4517       58.47409 732.4517       58.47409 0.000000       0.000000 121.3453 4.933336 ?        ?        ?              ?        
1 1 1 1   12 41 o 88.98054 5.021429 395.1910       43.55746 395.1910       43.55746 0.000000       0.000000 88.98054 5.021429 ?        ?        ?              ?        
1 1 1 1   12 42 o 71.17780 3.711344 251.0426       25.76791 257.7501       28.68455 223.0000       58.65117 72.03195 4.085080 64.89017 9.516736 7.141785       10.35645 
1 1 1 1   12 43 o 44.02727 5.536874 98.55380       23.33476 96.13391       26.04487 108.4000       52.53615 43.22831 6.343933 43.88365 11.92302 -0.6553383     13.50570 
1 1 1 1   12 44 o 121.1260 3.495019 726.3109       41.39413 721.0402       46.73447 745.5000       89.17297 120.4875 3.968093 120.1967 7.618598 0.2907944      8.590040 
1 1 1 1   12 45 o 87.71425 3.549184 381.8919       30.40934 382.6792       34.06152 378.8000       67.50146 87.64709 3.980664 84.82808 8.232980 2.819016       9.144814 
1 1 1 1   12 46 o 54.22970 4.388529 147.9912       23.09613 138.9075       25.43919 190.6000       55.09620 52.30315 5.030988 58.61661 9.958667 -6.313454      11.15732 
1 1 1 1   12 47 o 29.05912 10.14884 44.52723       35.51491 35.15000       48.79602 55.09000       51.78882 28.84104 11.49557 32.40383 12.12204 -3.562784      16.70605 
1 1 1 1   12 48 o 24.10378 7.204941 31.01886       18.30523 42.90251       19.58154 -51.33000      51.54668 28.13750 7.108480 19.90585 9.497540 8.231651       11.86312 
1 1 1 1   12 49 o 20.36792 7.271577 19.62020       18.31112 19.74179       19.79650 18.90000       48.18126 20.69434 7.537901 26.08982 11.01137 -5.395485      13.34430 
1 1 1 1   12 50 o 38.38379 5.544809 76.71535       20.22939 67.99937       22.24399 118.4000       48.64551 35.65767 6.616695 44.42921 11.19284 -8.771542      13.00232 
1 1 1 1   12 51 o 85.57875 3.500258 365.9872       29.25868 388.0732       33.42552 293.6000       60.51322 87.91320 3.894007 72.91403 8.646916 14.99917       9.483273 
1 1 1 1   12 52 o 42.59361 5.547414 94.68159       22.57916 94.68159       22.57916 0.000000       0.000000 42.59361 5.547414 ?        ?        ?              ?        
1 1 1 1   12 53 o 32.69319 6.190839 57.43282       19.08613 64.26919       20.81032 21.23000       47.88915 34.53533 6.391489 25.70799 10.91971 8.827337       12.65272 
1 1 1 1   12 54 o 71.30170 4.178642 257.7839       29.03578 252.7194       33.94285 271.6000       56.06266 70.08804 4.980081 69.72192 8.382770 0.3661270      9.750488 
1 1 1 1   12 55 o 25.79652 6.911503 36.78653       17.80282 23.63131       23.26147 55.38710       27.65994 22.03160 8.146612 30.89784 8.750505 -8.866243      11.95569 
1 1 1 1   12 56 o 22.55752 7.238016 27.51064       18.10413 40.16258       24.06435 11.01146       27.48062 26.63466 8.320088 20.10299 8.389119 6.531672       11.81530 
1 1 1 1   12 57 o 43.16634 5.390000 97.64694       22.27913 115.8000       33.63142 83.45083       29.74096 45.52705 7.829123 38.28159 8.185003 7.245453       11.32649 
1 1 1 1   12 58 o 37.93219 6.083962 77.21783       21.82580 103.1000       33.41730 57.96373       28.82256 42.46157 8.337945 31.34420 8.951048 11.11737       12.23285 
1 1 1 1   12 59 o 27.44694 7.511935 42.71581       20.76536 44.33000       30.75659 41.36367       28.14958 27.62591 9.454186 26.83666 9.046435 0.7892437      13.08509 
1 1 1 1   12 60 o 41.94846 6.469203 95.82426       25.70976 89.29000       47.91541 98.46606       30.46691 36.38950 11.78410 41.65595 7.757517 -5.266445      14.10830 
1 1 1 1   12 61 o 53.61565 6.213077 155.3242       32.00365 139.9000       50.04031 166.0000       41.63111 46.21419 11.18405 53.71287 8.175929 -7.498684      13.85383 
1 1 1 1   13 0  f 299.3234 5.788951 4388.349       169.6081 4397.248       240.1321 4379.490       239.5931 299.3957 8.201773 298.7903 8.199973 0.6054688      11.59779 
1 1 1 1   13 1  o 657.6191 12.21493 21240.04       786.2698 21620.56       1127.035 20879.24       1097.462 662.0611 17.40644 650.6503 17.24720 11.41083       24.50408 
1 1 1 1   13 2  o 456.5076 8.564459 10217.12       382.6962 10157.37       539.0893 10277.82       543.3643 454.6139 12.12550 457.2996 12.14980 -2.685699      17.16524 
1 1 1 1   13 3  o 787.2493 14.59564 30486.59       1124.713 30660.58       1596.816 30315.29       1584.425 787.1959 20.74170 782.7660 20.69735 4.429932       29.30185 
1 1 1 1   13 4  o 393.6377 8.593728 7597.036       331.1194 7483.694       401.5115 7838.000       585.4338 390.3768 10.51728 398.8239 15.02338 -8.447021      18.33890 
1 1 1 1   13 5  o 747.9647 13.87046 27509.35       1015.496 27874.41       1449.707 27157.66       1422.924 750.8553 19.74216 741.1746 19.63078 9.680725       27.84099 
1 1 1 1   13 6  o 593.0884 11.03529 17267.52       640.6329 17226.48       904.5431 17308.82       907.4473 591.2790 15.64272 592.6881 15.65559 -1.409119      22.13125 
1 1 1 1   13 7  o 608.8481 13.09129 18221.26       780.1851 19560.00       1421.240 17643.84       933.3951 627.5153 23.17842 598.2876 15.95280 29.22766       28.13772 
1 1 1 1   13 8  o 355.1411 9.611622 6192.117       333.8138 5569.000       436.3890 7071.000       518.2681 336.2946 13.28321 378.8817 13.99884 -42.58716      19.29795 
1 1 1 1   13 9  o 522.2459 13.86640 13427.00       708.2077 13710.00       1016.448 13160.00       987.3019 526.1408 19.77198 515.5170 19.60165 10.62384       27.84162 
1 1 1 1   13 10 o 478.0775 8.968321 11211.34       419.6774 11812.24       615.4069 10688.93       573.8019 489.9739 12.84274 466.1271 12.58778 23.84677       17.98300 
1 1 1 1   13 11 o 315.6972 7.036249 4884.930       217.4294 4902.000       379.1936 4876.569       265.3920 315.5343 12.30102 315.1947 8.610130 0.3395996      15.01497 
1 1 1 1   13 12 o 419.2201 11.25494 8642.471       461.4222 8857.000       663.8917 8442.000       641.7695 423.3577 16.04984 413.3453 15.89167 10.01233       22.58634 
1 1 1 1   13 13 o 318.3919 8.750839 4978.638       272.4620 4884.000       380.7115 5078.000       390.0988 314.8009 12.37945 320.9908 12.43938 -6.189911      17.54961 
1 1 1 1   13 14 o 293.8014 8.164313 4239.024       234.5625 4421.000       341.2263 4076.000       322.9690 299.5217 11.66107 287.6077 11.49555 11.91403       16.37463 
1 1 1 1   13 15 o 183.7605 5.749343 1656.659       103.2861 1470.000       137.4221 1899.000       156.5837 172.8672 8.144433 196.5264 8.157644 -23.65921      11.52731 
1 1 1 1   13 16 o 291.6277 8.122861 4178.841       231.6439 3907.000       313.4405 4506.000       343.8560 281.4292 11.40197 302.2162 11.64572 -20.78699      16.29808 
1 1 1 1   13 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   13 18 o 186.5640 5.793298 1708.552       105.6656 1621.000       145.5905 1806.000       153.5981 181.4385 8.219147 191.5332 8.211942 -10.09468      11.61854 
1 1 1 1   13 19 o 196.7813 5.997643 1901.438       115.3887 1965.000       166.7228 1843.000       159.8619 199.7095 8.548621 193.4117 8.464648 6.297760       12.03034 
1 1 1 1   13 20 o 165.2688 5.410517 1340.998       87.40781 1235.000       119.2645 1464.000       128.4753 158.3305 7.718826 172.4295 7.630958 -14.09900      10.85411 
1 1 1 1   13 21 o 350.8918 9.601705 6073.239       329.4727 6306.000       478.2602 5863.000       454.5341 356.1118 13.74637 343.4352 13.54779 12.67657       19.30039 
1 1 1 1   13 22 o 164.7428 5.406398 1332.979       87.06270 1324.000       122.9807 1342.000       123.2703 163.8914 7.687525 165.0093 7.652938 -1.117935      10.84737 
1 1 1 1   13 23 o 193.2447 8.470552 1843.000       159.8340 1843.000       159.8340 0.000000       0.000000 193.2447 8.470552 ?        ?        ?              ?        
1 1 1 1   13 24 o 229.6230 6.639775 2593.592       149.0798 2593.592       149.0798 0.000000       0.000000 229.6230 6.639775 ?        ?        ?              ?        
1 1 1 1   13 25 o 300.6855 5.850834 4440.278       172.2013 4454.916       198.6353 4396.000       345.4776 301.0096 6.741708 297.3441 11.89410 3.665436       13.67188 
1 1 1 1   13 26 o 74.21838 4.388525 271.0848       31.73900 253.3000       38.11641 311.3000       57.31694 71.61846 5.478864 79.16851 7.485351 -7.550049      9.276229 
1 1 1 1   13 27 o 255.2888 5.857727 3202.488       146.3751 3213.790       178.1427 3179.000       256.8167 255.3937 7.133082 253.0579 10.39015 2.335846       12.60302 
1 1 1 1   13 28 o 229.8011 5.471241 2594.495       123.0677 2665.703       152.7984 2463.000       207.6401 232.6113 6.717954 222.8328 9.541851 9.778549       11.66953 
1 1 1 1   13 29 o 109.2073 3.132177 584.9753       33.44687 579.6135       37.28012 607.1000       75.72808 108.6746 3.509236 110.7731 7.020312 -2.098450      7.848536 
1 1 1 1   13 30 o 157.4891 4.313942 1218.397       66.43879 1241.359       81.23227 1172.000       115.4695 158.8294 5.232202 153.8360 7.692781 4.993408       9.303484 
1 1 1 1   13 31 o 232.0939 4.740085 2647.161       107.6852 2655.971       123.9253 2620.000       217.5917 232.3273 5.449462 229.2104 9.720509 3.116913       11.14383 
1 1 1 1   13 32 o 102.2876 3.759638 514.2985       37.57817 488.1193       43.41483 592.5000       75.03568 99.55630 4.466532 109.2275 7.056014 -9.671188      8.350883 
1 1 1 1   13 33 o 231.1657 4.733132 2629.877       107.0972 2585.881       121.6924 2781.000       225.5378 229.0240 5.428454 235.3863 9.810363 -6.362350      11.21211 
1 1 1 1   13 34 o 91.98701 3.725131 416.4946       33.47149 384.3363       38.06637 526.1000       70.27667 88.25372 4.420660 102.7018 7.033251 -14.44812      8.307158 
1 1 1 1   13 35 o 87.73328 3.199249 378.5441       27.42779 370.2679       30.11554 418.8000       66.41852 86.71799 3.555472 91.32917 7.495637 -4.611183      8.296142 
1 1 1 1   13 36 o 52.38280 3.770548 135.7477       19.20366 126.3981       20.58248 198.6000       53.36556 50.46932 4.204589 62.10491 9.044151 -11.63559      9.973728 
1 1 1 1   13 37 o 90.47995 3.235560 403.1075       28.60937 398.1754       31.45801 426.7000       68.80210 89.86226 3.583600 91.81911 7.726932 -1.956856      8.517492 
1 1 1 1   13 38 o 49.99500 4.095154 124.2241       19.86478 124.5865       21.35769 121.9000       54.08218 50.00819 4.408301 47.31918 11.73438 2.689014       12.53511 
1 1 1 1   13 39 o 129.3125 4.825850 830.6251       60.97584 830.6251       60.97584 0.000000       0.000000 129.3125 4.825850 ?        ?        ?              ?        
1 1 1 1   13 40 o 123.8900 4.831725 763.5881       58.48053 763.5881       58.48053 0.000000       0.000000 123.8900 4.831725 ?        ?        ?              ?        
1 1 1 1   13 41 o 48.19220 4.943047 116.7396       22.98716 116.7396       22.98716 0.000000       0.000000 48.19220 4.943047 ?        ?        ?              ?        
1 1 1 1   13 42 o 71.32636 5.600994 256.3444       38.79054 221.3000       49.72972 310.8000       61.99092 65.29279 7.944490 77.31351 8.322483 -12.02071      11.50559 
1 1 1 1   13 43 o 57.66499 5.386309 167.9496       30.05080 143.7181       35.09080 234.6000       58.19753 52.75040 6.966238 66.47685 9.189431 -13.72645      11.53144 
1 1 1 1   13 44 o 62.63464 3.856305 195.3913       23.52780 176.2390       25.46496 307.1000       61.50007 59.31099 4.418069 76.37627 8.362990 -17.06528      9.458274 
1 1 1 1   13 45 o 112.1990 3.464099 624.5940       37.99837 617.4001       42.69524 652.0000       83.33374 111.3367 3.923869 111.7441 7.665292 -0.4073944     8.611239 
1 1 1 1   13 46 o 40.50631 9.386484 91.81345       36.48705 71.69000       49.76801 115.2000       53.65153 35.37436 12.02795 43.92731 12.09548 -8.552948      17.05791 
1 1 1 1   13 47 o 30.02414 6.683830 48.29031       19.13755 39.65773       20.62356 101.8000       51.34639 27.05019 7.518809 41.15812 12.00647 -14.10792      14.16643 
1 1 1 1   13 48 o 37.34864 5.561564 72.50368       19.71268 70.26598       21.22384 86.56000       53.19358 36.52691 6.154705 37.79237 12.42792 -1.265465      13.86844 
1 1 1 1   13 49 o 25.84124 7.140058 36.22405       18.65942 35.42195       20.42545 40.27000       45.87401 25.56410 7.603388 28.93888 11.26387 -3.374779      13.58993 
1 1 1 1   13 50 o 19.08062 7.165421 15.60547       18.13184 16.27708       19.82984 12.18000       44.78363 19.66935 7.469513 24.37080 10.46099 -4.701450      12.85402 
1 1 1 1   13 51 o 16.32831 6.876118 4.067444       18.72087 4.067444       18.72087 0.000000       0.000000 16.32831 6.876118 ?        ?        ?              ?        
1 1 1 1   13 52 o 24.63927 7.069635 33.24257       17.93845 28.24986       19.47232 61.24000       46.11146 23.01461 7.516514 32.11845 11.53071 -9.103834      13.76428 
1 1 1 1   13 53 o 52.25201 4.613095 139.8087       23.35192 145.8264       26.74437 120.5000       47.90664 53.05214 5.217628 44.08835 11.10781 8.963795       12.27221 
1 1 1 1   13 54 o 24.48992 7.544493 33.04701       19.86474 43.15091       22.40849 -4.031000      42.92656 27.66063 7.890330 21.59923 9.710841 6.061398       12.51230 
1 1 1 1   13 55 o 28.77231 6.369673 45.15898       17.46473 59.30195       22.83712 25.23521       27.10545 32.60402 7.334047 22.97692 8.731224 9.627102       11.40274 
1 1 1 1   13 56 o 28.86061 6.462749 45.59471       17.80195 55.97961       23.15873 30.59556       27.83216 31.51026 7.597668 24.29230 8.923505 7.217960       11.71979 
1 1 1 1   13 57 o 14.31461 6.282862 -1.640755      16.91271 -7.750258      22.11718 6.962431       26.24559 15.25983 6.905381 19.02084 8.081768 -3.761005      10.63011 
1 1 1 1   13 58 o 36.80665 5.469579 71.64297       19.10729 65.09519       25.75413 79.65984       28.49719 33.75714 7.929918 37.37442 8.029218 -3.617283      11.28503 
1 1 1 1   13 59 o 37.23574 5.655948 73.87276       19.96697 101.0668       27.50727 43.58607       29.02930 42.97450 6.762482 27.34612 9.186540 15.62838       11.40718 
1 1 1 1   13 60 o 29.83508 7.362738 50.79653       21.36857 54.53911       27.12109 44.67000       34.69995 30.23080 8.698643 27.51001 9.985764 2.720791       13.24318 
1 1 1 1   13 61 o 19.32899 7.567928 16.16952       20.80774 14.56000       32.09303 17.33678       27.33054 21.26442 8.981439 20.87076 8.501777 0.3936577      12.36715 
1 1 1 1   14 0  o 190.5490 4.015207 1777.737       74.88950 1800.840       106.7491 1755.346       105.0899 191.6591 5.696536 189.2215 5.680364 2.437592       8.044691 
1 1 1 1   14 1  o 463.1728 8.688385 10519.50       393.9021 10403.23       552.8112 10639.42       561.4118 460.0034 12.28850 465.1907 12.34037 -5.187286      17.41527 
1 1 1 1   14 2  o 458.9137 9.950643 10333.21       446.9803 10028.76       535.8015 11030.00       810.5978 451.6651 12.13038 472.5589 17.55492 -20.89377      21.33826 
1 1 1 1   14 3  o 343.2417 7.569479 5774.528       254.3151 5814.526       313.1199 5697.000       435.9317 344.1742 9.303035 340.1790 13.11654 3.995178       16.08074 
1 1 1 1   14 4  o 292.9616 5.689760 4204.021       163.1589 3974.733       222.1499 4472.559       240.4140 284.6329 7.981485 301.9307 8.142219 -17.29779      11.40175 
1 1 1 1   14 5  o 615.3105 11.44528 18594.14       689.3299 18994.21       989.6021 18217.04       960.7571 620.5770 16.30554 607.7804 16.16391 12.79657       22.95959 
1 1 1 1   14 6  o 367.7981 9.913961 6643.068       356.5880 6380.000       489.3159 6941.000       520.7321 359.8412 13.91848 375.3002 14.20082 -15.45901      19.88436 
1 1 1 1   14 7  o 335.2949 9.100492 5518.925       298.3982 0.000000       0.000000 5518.925       298.3982 ?        ?        335.2949 9.100492 ?              ?        
1 1 1 1   14 8  o 180.6860 3.870971 1598.506       68.46217 1728.163       101.3661 1489.754       92.83555 187.7478 5.521842 174.3093 5.447798 13.43849       7.756884 
1 1 1 1   14 9  o 268.6883 6.079659 3537.227       159.8947 3389.000       267.7756 3619.364       199.3326 262.5049 10.44227 271.6068 7.504954 -9.101868      12.85944 
1 1 1 1   14 10 o 426.7475 8.046644 8931.708       336.1182 9401.225       492.5325 8522.459       459.8358 437.1875 11.51966 416.2794 11.29570 20.90805       16.13367 
1 1 1 1   14 11 o 413.5781 11.05450 8413.547       447.1088 8535.000       638.9268 8297.000       625.8895 415.4878 15.73883 409.6724 15.63698 5.815369       22.18616 
1 1 1 1   14 12 o 477.4001 12.74877 11232.96       595.2073 11360.00       848.7037 11110.00       834.9650 478.3788 18.15796 473.1130 18.06324 5.265808       25.61234 
1 1 1 1   14 13 o 245.1247 7.033877 2949.310       168.5927 3263.000       254.2097 2703.000       225.2590 257.4526 10.10726 234.3217 9.843097 23.13098       14.10827 
1 1 1 1   14 14 o 257.6730 7.317480 3260.200       184.3727 3487.000       272.2241 3068.000       250.6008 266.0414 10.47419 249.5512 10.28129 16.49019       14.67698 
1 1 1 1   14 15 o 266.8434 7.533175 3497.812       196.5649 3585.000       282.5154 3416.000       273.6652 269.6436 10.72539 263.2162 10.64382 6.427490       15.11042 
1 1 1 1   14 16 o 247.3239 7.092612 3004.709       171.5259 2922.000       238.7092 3093.000       246.6333 243.4441 10.03914 250.4703 10.08039 -7.026154      14.22669 
1 1 1 1   14 17 o 308.1459 8.559300 4672.083       257.9170 4163.000       337.0852 5391.000       400.5762 290.1298 11.89496 330.0712 12.42072 -39.94144      17.19780 
1 1 1 1   14 18 o 249.4099 7.150926 3057.519       174.3948 2966.000       242.2334 3156.000       251.2783 245.1178 10.11783 252.8478 10.17366 -7.729980      14.34831 
1 1 1 1   14 19 o 301.7237 8.386292 4481.704       247.4367 4655.000       359.0719 4325.000       341.4496 306.5779 11.98871 295.5417 11.82713 11.03613       16.84073 
1 1 1 1   14 20 o 250.1208 7.178933 3076.682       175.5765 2979.000       243.7602 3182.000       253.1089 245.5166 10.16521 253.7463 10.21150 -8.229721      14.40854 
1 1 1 1   14 21 o 89.38564 4.904281 393.0052       42.74467 381.1000       60.72124 404.7000       60.18256 87.76784 7.129382 90.49841 6.844715 -2.730568      9.883228 
1 1 1 1   14 22 o 193.3891 8.514583 1846.000       160.7814 1846.000       160.7814 0.000000       0.000000 193.3891 8.514583 ?        ?        ?              ?        
1 1 1 1   14 23 o 206.8557 8.902023 2114.000       179.8228 2114.000       179.8228 0.000000       0.000000 206.8557 8.902023 ?        ?        ?              ?        
1 1 1 1   14 24 o 317.2234 8.806000 4967.650       273.1679 4860.000       380.6176 5082.000       392.2820 312.4192 12.47150 319.4423 12.57038 -7.023132      17.70742 
1 1 1 1   14 25 o 155.7223 7.618565 1197.000       115.7737 0.000000       0.000000 1197.000       115.7737 ?        ?        155.7223 7.618565 ?              ?        
1 1 1 1   14 26 o 257.6398 10.54135 3296.000       265.2756 0.000000       0.000000 3296.000       265.2756 ?        ?        257.6398 10.54135 ?              ?        
1 1 1 1   14 27 o 155.2277 5.368993 1185.033       81.45430 1172.000       115.3403 1198.000       115.0478 153.9803 7.676823 155.7039 7.571407 -1.723541      10.78238 
1 1 1 1   14 28 o 217.1134 4.474249 2313.395       95.08523 2361.681       110.3316 2174.000       187.4615 219.2707 5.140589 209.3546 9.170189 9.916168       10.51276 
1 1 1 1   14 29 o 292.1413 5.729820 4198.436       163.8476 4317.631       191.9173 3878.000       314.6689 296.0049 6.623827 278.3640 11.57399 17.64093       13.33538 
1 1 1 1   14 30 o 219.2303 6.611796 2372.526       141.7195 2366.000       200.8305 2379.000       200.0153 217.9656 9.435513 218.5907 9.369900 -0.6251221     13.29752 
1 1 1 1   14 31 o 217.7069 4.504547 2329.312       95.99077 2352.063       110.6289 2260.000       193.0943 218.6236 5.169700 212.8183 9.291852 5.805313       10.63317 
1 1 1 1   14 32 o 102.3610 3.103619 514.4532       31.06042 519.1193       34.60275 495.1000       70.47129 102.7864 3.444153 99.69293 7.271743 3.093506       8.046144 
1 1 1 1   14 33 o 251.2860 5.063218 3112.781       124.5378 3141.470       143.8636 3027.000       248.7655 252.1464 5.828974 244.7762 10.40655 7.370209       11.92784 
1 1 1 1   14 34 o 115.7606 4.491556 661.2126       50.79708 661.2126       50.79708 0.000000       0.000000 115.7606 4.491556 ?        ?        ?              ?        
1 1 1 1   14 35 o 150.7768 3.573175 1118.086       52.73452 1118.390       59.67382 1117.000       112.6735 150.6390 4.050742 149.1746 7.743006 1.464401       8.738573 
1 1 1 1   14 36 o 129.4075 3.370440 824.2111       42.65623 816.4028       47.72865 855.2000       95.08372 128.6965 3.792977 130.4034 7.480616 -1.706818      8.387270 
1 1 1 1   14 37 o 131.9245 3.413404 857.3977       44.04070 850.1147       49.29534 886.2000       98.03107 131.2481 3.841264 132.4333 7.594254 -1.185211      8.510464 
1 1 1 1   14 38 o 89.58972 4.742769 398.8674       41.44254 398.8674       41.44254 0.000000       0.000000 89.58972 4.742769 ?        ?        ?              ?        
1 1 1 1   14 39 o 153.5889 4.186840 1167.975       62.88500 1167.975       62.88500 0.000000       0.000000 153.5889 4.186840 ?        ?        ?              ?        
1 1 1 1   14 40 o 133.6473 3.486203 881.9866       45.56676 845.8687       50.47715 1041.000       105.9132 130.7160 3.949649 142.8829 7.600266 -12.16696      8.565266 
1 1 1 1   14 41 o 56.34779 4.352273 158.4202       23.81894 174.2023       26.45735 90.92000       54.71623 59.03516 4.615221 40.49795 12.52909 18.53721       13.35210 
1 1 1 1   14 42 o 95.58395 4.566029 455.5600       42.59633 455.5600       42.59633 0.000000       0.000000 95.58395 4.566029 ?        ?        ?              ?        
1 1 1 1   14 43 o 89.68968 4.010337 400.0795       35.11800 404.7038       40.85704 387.0000       68.71339 89.95945 4.655797 86.03140 8.261189 3.928047       9.482810 
1 1 1 1   14 44 o 65.47827 3.853075 213.6829       24.58595 208.3771       26.90014 240.6000       60.58946 64.52058 4.283674 66.61397 9.566454 -2.093384      10.48174 
1 1 1 1   14 45 o 63.61673 6.685939 210.1608       41.01169 180.0000       56.05575 244.9000       60.16008 56.53733 10.51622 66.93147 9.444963 -10.39414      14.13500 
1 1 1 1   14 46 f 63.37343 4.638392 202.8309       28.57344 197.5700       32.65910 220.0000       58.99900 62.19458 5.418745 62.79830 9.927842 -0.6037178     11.31039 
1 1 1 1   14 47 o 35.32305 5.294153 64.60181       17.74139 57.80118       18.85759 117.0000       52.34433 33.11038 6.041087 44.02414 11.87586 -10.91376      13.32406 
1 1 1 1   14 48 o 48.85100 4.227851 120.5908       20.01739 118.3011       21.72024 133.5000       51.57267 48.22041 4.659784 47.33864 11.28926 0.8817749      12.21315 
1 1 1 1   14 49 f 21.72307 7.071407 24.48146       17.24154 15.35772       18.59197 80.53000       46.08091 19.15012 7.241704 36.55059 11.52696 -17.40046      13.61298 
1 1 1 1   14 50 o 60.08786 4.209702 182.4933       24.60299 182.4933       24.60299 0.000000       0.000000 60.08786 4.209702 ?        ?        ?              ?        
1 1 1 1   14 51 o 83.83461 3.391448 351.1313       27.77265 353.9289       31.06735 340.0000       61.96947 83.95633 3.790233 78.80090 8.151725 5.155426       8.989799 
1 1 1 1   14 52 o 14.71869 6.486859 -2.513093      18.20056 -10.01324      20.14548 30.80000       42.45709 14.22351 6.496252 26.33039 10.64372 -12.10688      12.46957 
1 1 1 1   14 53 o 13.21996 5.964377 -6.294811      16.35541 -7.334682      17.77603 -0.5580000     41.75229 13.65551 6.183927 21.72470 9.685849 -8.069196      11.49159 
1 1 1 1   14 54 o 20.28358 7.415268 19.66281       19.18313 0.9034984      21.37250 97.41000       43.51001 16.50107 7.155328 39.58389 10.88971 -23.08282      13.03013 
1 1 1 1   14 55 o 23.32396 6.968066 29.83469       17.12494 18.85578       21.98826 46.76095       27.30183 20.55943 7.851623 28.44940 8.858278 -7.889971      11.83711 
1 1 1 1   14 56 o 21.65347 7.102577 25.01978       17.37822 21.67204       22.71795 29.74194       26.98134 21.38185 8.022473 23.97243 8.789353 -2.590580      11.90012 
1 1 1 1   14 57 o 27.70978 6.715456 42.53565       18.02177 53.58981       24.12333 28.57415       27.11069 30.56859 7.978551 23.64477 8.785244 6.923822       11.86751 
1 1 1 1   14 58 o 22.73395 7.253538 28.26158       18.20123 43.23866       24.46477 9.695237       27.23897 27.40530 8.359508 19.70490 8.295919 7.700396       11.77725 
1 1 1 1   14 59 o 26.76274 7.518124 40.85201       20.50326 38.19969       25.22168 46.02000       35.20646 25.81675 8.560562 27.94335 10.06992 -2.126596      13.21690 
1 1 1 1   14 60 o 40.96950 5.181812 88.63049       20.31610 93.75617       27.93579 82.87635       29.59890 40.81351 7.258832 37.59660 8.268403 3.216908       11.00260 
1 1 1 1   15 0  o 401.6576 7.594605 7908.495       298.5846 8101.953       429.5485 7727.628       415.3350 406.0593 10.81692 396.5770 10.70933 9.482239       15.22155 
1 1 1 1   15 1  o 312.9791 6.975753 4800.690       213.7040 4666.622       256.8856 5102.000       385.1075 308.3570 8.519147 321.9625 12.24228 -13.60550      14.91474 
1 1 1 1   15 2  o 355.7863 7.835701 6206.016       272.8810 6305.497       338.0647 6020.000       462.2770 358.3367 9.647118 349.5515 13.53651 8.785217       16.62239 
1 1 1 1   15 3  o 228.7426 4.622980 2562.345       103.5083 2589.803       147.3793 2535.617       145.4064 229.8001 6.558800 227.3828 6.539903 2.417343       9.262192 
1 1 1 1   15 4  o 193.9687 4.085240 1842.264       77.56316 1904.034       112.0052 1785.348       107.5143 197.0589 5.813139 190.8160 5.762930 6.242905       8.185595 
1 1 1 1   15 5  f 385.0057 10.35631 7283.145       389.9274 7564.000       565.1622 7028.000       538.6724 391.5764 14.77167 377.4609 14.60720 14.11545       20.77433 
1 1 1 1   15 6  o 501.2818 10.84471 12343.08       532.1158 12430.00       926.6571 12300.32       649.9578 500.8345 18.93658 499.7813 13.29796 1.053223       23.13936 
1 1 1 1   15 7  o 341.0693 6.526167 5701.166       217.8748 5713.471       308.6941 5688.951       307.5522 341.0740 9.254971 340.3427 9.240559 0.7313232      13.07832 
1 1 1 1   15 8  o 509.8194 9.548712 12760.74       476.5048 13009.01       682.7481 12524.97       665.3479 513.7520 13.58884 504.1209 13.49580 9.631042       19.15184 
1 1 1 1   15 9  o 224.1770 6.380474 2465.270       139.8647 2501.000       199.8955 2431.000       195.7664 225.5321 9.073522 222.3553 9.013337 3.176834       12.78941 
1 1 1 1   15 10 o 281.3672 5.499227 3879.266       151.4542 4002.143       218.6906 3766.011       209.9537 285.5043 7.832885 276.9565 7.752349 8.547882       11.02057 
1 1 1 1   15 11 o 143.7974 4.559104 1013.915       64.08961 1091.000       94.16808 947.4000       87.47442 149.0310 6.470785 138.8590 6.453425 10.17204       9.138805 
1 1 1 1   15 12 o 173.1609 5.155180 1470.603       87.28028 0.000000       0.000000 1470.603       87.28028 ?        ?        173.1609 5.155180 ?              ?        
1 1 1 1   15 13 o 217.9264 6.425250 2331.175       136.9089 2202.000       187.4118 2479.000       200.4855 211.4833 9.074576 224.4036 9.146563 -12.92032      12.88439 
1 1 1 1   15 14 f 453.3470 12.16761 10148.09       539.4479 9984.000       754.1686 10320.00       771.9305 447.6802 17.24277 455.1069 17.36023 -7.426758      24.46816 
1 1 1 1   15 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 17 o 421.7853 11.38803 8792.404       469.7304 9098.000       680.3257 8514.000       649.3542 426.8879 16.31160 413.0496 16.09181 13.83832       22.91320 
1 1 1 1   15 18 o 248.8333 7.151349 3044.426       174.0011 2902.000       239.0210 3205.000       253.7921 242.3785 10.09689 254.7145 10.19993 -12.33600      14.35221 
1 1 1 1   15 19 o 150.1690 5.194098 1107.383       76.23288 991.5000       102.9597 1248.000       113.4165 141.8243 7.442742 159.1795 7.298606 -17.35527      10.42421 
1 1 1 1   15 20 o 195.6376 5.991848 1880.774       114.6059 1758.000       156.1841 2024.000       168.6922 188.7523 8.475153 202.5456 8.527831 -13.79338      12.02298 
1 1 1 1   15 21 o 248.8131 10.19038 3064.000       247.6565 3064.000       247.6565 0.000000       0.000000 248.8131 10.19038 ?        ?        ?              ?        
1 1 1 1   15 22 o 111.8011 7.106285 617.2000       77.36446 617.2000       77.36446 0.000000       0.000000 111.8011 7.106285 ?        ?        ?              ?        
1 1 1 1   15 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   15 24 o 222.6659 9.410433 2454.000       204.6394 0.000000       0.000000 2454.000       204.6394 ?        ?        222.6659 9.410433 ?              ?        
1 1 1 1   15 25 o 104.3693 7.170333 538.8000       72.80672 0.000000       0.000000 538.8000       72.80672 ?        ?        104.3693 7.170333 ?              ?        
1 1 1 1   15 26 o 142.8672 5.205112 1003.739       72.66784 970.3000       101.4320 1039.000       104.1579 140.1162 7.422195 145.0160 7.361954 -4.899780      10.45406 
1 1 1 1   15 27 o 269.8936 7.703933 3596.962       203.3137 3671.000       291.6876 3527.000       283.5433 271.4142 11.00222 266.0688 10.91042 5.345367       15.49471 
1 1 1 1   15 28 o 274.7747 7.837139 3733.355       210.5700 3751.000       299.0333 3716.000       296.5641 273.9828 11.17383 272.7200 11.13293 1.262756       15.77329 
1 1 1 1   15 29 o 252.9303 7.341254 3162.969       181.5589 3168.000       257.5493 3158.000       255.9840 251.8200 10.47159 251.4451 10.42332 0.3749084      14.77497 
1 1 1 1   15 30 o 131.6918 5.213514 854.7092       67.07124 915.0000       98.10564 801.8000       91.90392 135.7931 7.408982 127.0876 7.420242 8.705505       10.48585 
1 1 1 1   15 31 o 152.3308 5.398196 1144.831       80.36291 1172.000       115.1121 1119.000       112.2428 153.5045 7.685590 149.9897 7.670712 3.514832       10.85855 
1 1 1 1   15 32 o 146.3306 4.151505 1053.729       59.40290 1059.833       71.39876 1040.000       107.0720 146.5779 4.983658 144.4490 7.599515 2.128891       9.087875 
1 1 1 1   15 33 o 101.6387 3.777625 508.5935       37.51699 524.4559       44.18330 467.6000       71.02832 103.1082 4.387860 96.58050 7.573936 6.527710       8.753161 
1 1 1 1   15 34 o 27.13929 4.775685 37.39830       12.22340 38.52674       12.65055 21.53000       47.43916 27.53806 4.871400 28.08961 11.28749 -0.5515404     12.29381 
1 1 1 1   15 35 o 99.93142 3.085138 491.1743       30.14133 510.1763       33.48386 410.0000       69.20624 101.8005 3.364934 90.01470 7.935806 11.78580       8.619733 
1 1 1 1   15 36 o 55.96999 3.324822 154.6756       18.13295 156.1938       19.23028 142.5000       54.45831 56.21648 3.512295 51.55269 11.11931 4.663792       11.66085 
1 1 1 1   15 37 o 89.10551 4.457739 393.7930       38.75645 393.7930       38.75645 0.000000       0.000000 89.10551 4.457739 ?        ?        ?              ?        
1 1 1 1   15 38 o 118.8765 3.284158 696.6395       38.17772 698.7184       42.25494 687.4000       89.08178 118.9582 3.633175 116.1193 7.884267 2.838837       8.681108 
1 1 1 1   15 39 o 112.5398 3.276114 624.7738       36.05029 634.0601       40.20703 586.7000       81.41297 113.2722 3.631065 107.0913 7.820555 6.180901       8.622396 
1 1 1 1   15 40 o 50.08250 4.121188 125.0452       20.02435 118.7769       21.61069 163.1000       53.24754 48.69510 4.588027 54.98854 10.27043 -6.293442      11.24863 
1 1 1 1   15 41 o 60.06047 3.587938 178.9286       20.99693 167.9765       22.52769 251.4000       57.94956 58.09517 3.985748 69.18981 8.752100 -11.09464      9.616935 
1 1 1 1   15 42 o 83.36832 3.282588 343.7559       26.73462 332.8983       29.17223 400.7000       66.80804 81.93861 3.646398 87.94203 7.843378 -6.003418      8.649554 
1 1 1 1   15 43 o 58.77720 4.507789 173.3288       25.73663 173.3288       25.73663 0.000000       0.000000 58.77720 4.507789 ?        ?        ?              ?        
1 1 1 1   15 44 o 75.84401 6.150621 294.8134       45.26960 256.3000       63.08506 335.7000       64.99963 68.48302 9.680663 79.40623 8.494589 -10.92321      12.87918 
1 1 1 1   15 45 o 84.69327 3.918556 358.4262       32.39683 363.3086       37.00405 342.4000       67.04241 85.01139 4.462616 79.62620 8.745539 5.385193       9.818318 
1 1 1 1   15 46 o 28.11793 6.862356 42.59680       18.71829 32.22377       20.08943 110.9000       51.55077 24.60515 7.588287 42.96903 11.86596 -18.36387      14.08486 
1 1 1 1   15 47 o 33.18201 6.328948 58.49136       19.80616 59.78498       21.55124 51.46000       50.24450 33.36113 6.829860 31.32729 11.89145 2.033838       13.71326 
1 1 1 1   15 48 o 18.84738 7.846121 7.666866       23.95354 4.919195       28.08488 15.00000       45.88122 19.52973 8.331134 25.08035 10.67202 -5.550613      13.53882 
1 1 1 1   15 49 f 32.17765 8.918653 58.92098       29.06304 58.92098       29.06304 0.000000       0.000000 32.17765 8.918653 ?        ?        ?              ?        
1 1 1 1   15 50 o 52.25869 5.281487 141.0054       26.64561 130.2624       30.75990 173.3000       53.33186 49.56388 6.496598 54.32841 10.40769 -4.764534      12.26889 
1 1 1 1   15 51 o 38.97614 5.359614 79.30688       19.90659 69.06860       22.00665 125.4000       46.69374 35.80912 6.518547 45.58767 10.65632 -9.778545      12.49194 
1 1 1 1   15 52 o 38.12721 4.894611 75.33769       17.84583 82.67918       19.43332 35.83000       45.08123 39.87752 5.094874 27.40528 11.00655 12.47224       12.12855 
1 1 1 1   15 53 o 25.57631 6.645531 35.95826       16.78598 30.08716       18.16543 70.27000       43.91442 23.45666 7.212502 33.59107 11.29904 -10.13441      13.40479 
1 1 1 1   15 54 o 14.81657 6.344523 1.672530       16.39932 1.546587       17.90343 2.329000       40.87492 15.36499 6.605064 21.81686 9.663265 -6.451870      11.70494 
1 1 1 1   15 55 f 26.36218 6.719938 38.41953       17.38940 31.99540       22.15431 48.72936       28.06577 24.15702 8.023562 28.92552 8.977327 -4.768505      12.04035 
1 1 1 1   15 56 o 29.12315 6.358943 46.34625       17.61781 63.95956       22.94693 21.05677       27.49629 33.94052 7.134071 22.05800 8.680650 11.88252       11.23604 
1 1 1 1   15 57 f 24.44082 6.954762 33.21267       17.43067 31.62003       22.80206 35.45181       27.03680 24.00824 8.141755 25.29711 8.853601 -1.288872      12.02807 
1 1 1 1   15 58 o 28.46792 6.548482 44.85127       17.86712 39.61388       23.13875 52.58578       28.11893 26.28524 8.150253 29.76281 8.937552 -3.477566      12.09572 
1 1 1 1   15 59 o 52.15808 4.186836 139.3986       21.19597 150.6810       28.27398 124.9224       32.02682 53.40855 5.486341 47.44056 7.116215 5.967995       8.985569 
1 1 1 1   15 60 o 32.85486 7.155313 61.21098       22.35771 50.86509       25.41251 96.65000       47.03320 29.23263 8.422889 37.56202 11.61541 -8.329390      14.34792 
1 1 1 1   16 0  o 317.7394 8.694278 4957.104       270.1484 4957.104       270.1484 0.000000       0.000000 317.7394 8.694278 ?        ?        ?              ?        
1 1 1 1   16 1  o 421.8597 9.196136 8734.419       379.7342 8680.427       463.2535 8845.000       662.9706 420.1078 11.27573 423.0143 16.04060 -2.906464      19.60722 
1 1 1 1   16 2  o 406.8486 7.695399 8117.232       306.4575 8325.829       440.8489 7922.167       426.3094 411.4785 10.95527 401.3890 10.86057 10.08951       15.42627 
1 1 1 1   16 3  o 447.7345 11.95982 9866.295       523.6757 10180.00       756.7323 9578.000       725.4371 453.4926 17.07822 439.9187 16.87825 13.57388       24.01127 
1 1 1 1   16 4  o 484.8815 12.92143 11582.74       612.7245 0.000000       0.000000 11582.74       612.7245 ?        ?        484.8815 12.92143 ?              ?        
1 1 1 1   16 5  o 399.3091 7.560516 7820.027       295.5063 7798.891       416.9011 7841.370       418.9244 398.2068 10.70563 399.2863 10.72849 -1.079559      15.15622 
1 1 1 1   16 6  o 549.2253 10.27029 14823.07       552.1276 15856.31       818.7288 13961.23       747.7431 566.6329 14.77416 531.7987 14.37797 34.83417       20.61557 
1 1 1 1   16 7  o 714.7762 13.30386 25183.84       930.7949 25308.46       1321.083 25061.00       1311.653 713.7043 18.92731 710.2283 18.88428 3.475952       26.73685 
1 1 1 1   16 8  o 374.1007 8.235490 6869.238       301.5672 7029.120       376.4839 6583.000       503.7442 378.0055 10.18446 364.9354 14.12893 13.07010       17.41694 
1 1 1 1   16 9  o 524.1197 9.820682 13502.93       503.8233 14294.38       742.0832 12826.16       686.2189 537.8401 14.10810 509.5671 13.77062 28.27301       19.71467 
1 1 1 1   16 10 o 117.5676 4.416069 678.0606       50.72907 0.000000       0.000000 678.0606       50.72907 ?        ?        117.5676 4.416069 ?              ?        
1 1 1 1   16 11 o 289.4137 5.640500 4106.078       159.7876 4432.106       237.8845 3838.049       215.6898 300.3148 8.099903 279.4788 7.892409 20.83603       11.30922 
1 1 1 1   16 12 o 400.5971 7.594102 7879.287       297.7766 8705.000       640.5699 7651.665       336.3251 418.6065 15.66105 394.5692 8.708231 24.03735       17.91931 
1 1 1 1   16 13 o 209.5646 5.010253 2152.625       102.7741 2374.000       191.5424 2063.124       121.7903 219.5372 8.932201 204.9996 6.076212 14.53760       10.80299 
1 1 1 1   16 14 o 162.7403 5.357053 1300.000       85.21875 1300.000       120.5899 1300.000       120.4453 162.4990 7.602553 162.5002 7.593334 -0.1159668E-02 10.74512 
1 1 1 1   16 15 o 164.2764 5.387438 1324.845       86.51187 1205.000       116.8914 1470.000       128.6438 156.4082 7.658422 172.7939 7.624734 -16.38574      10.80685 
1 1 1 1   16 16 f 94.24759 4.862085 436.6328       44.70216 426.0000       63.31646 447.2000       63.12080 92.86742 7.017342 95.18639 6.819915 -2.318970      9.785415 
1 1 1 1   16 17 o 310.7859 8.607416 4757.985       261.5904 4923.000       378.4411 4607.000       361.9961 315.0789 12.29439 304.8283 12.15666 10.25052       17.28978 
1 1 1 1   16 18 o 196.2670 6.004342 1892.742       115.2147 1832.000       160.0943 1958.000       165.9392 192.7032 8.508495 199.2282 8.528999 -6.525070      12.04734 
1 1 1 1   16 19 o 321.8010 8.902870 5107.761       280.1600 5412.000       411.9663 4846.000       382.1265 329.9091 12.78155 312.2530 12.52786 17.65619       17.89735 
1 1 1 1   16 20 o 137.7634 7.199910 935.9000       96.75136 935.9000       96.75136 0.000000       0.000000 137.7634 7.199910 ?        ?        ?              ?        
1 1 1 1   16 21 f 218.8024 6.524283 2355.010       139.5744 2462.000       202.4005 2258.000       192.7303 223.1460 9.286807 213.6971 9.235743 9.448914       13.09747 
1 1 1 1   16 22 o 201.4542 6.178207 1996.002       121.6834 1965.000       170.7419 2028.000       173.4630 199.3867 8.770037 202.5638 8.769381 -3.177094      12.40224 
1 1 1 1   16 23 o 183.7915 8.287290 1669.000       148.7050 0.000000       0.000000 1669.000       148.7050 ?        ?        183.7915 8.287290 ?              ?        
1 1 1 1   16 24 o 103.8299 5.078761 530.4857       51.45964 463.1000       71.57198 602.6000       74.04063 96.64771 7.627419 110.4422 6.883245 -13.79448      10.27407 
1 1 1 1   16 25 o 109.0831 5.082697 585.5646       54.12056 579.9000       76.30123 591.3000       76.77705 108.2478 7.242896 109.3158 7.215694 -1.067909      10.22379 
1 1 1 1   16 26 o 98.67719 5.172211 479.6124       49.78291 424.7000       69.31940 538.1000       71.54044 92.45850 7.730207 104.2648 7.051309 -11.80630      10.46313 
1 1 1 1   16 27 o 131.2824 5.160200 848.3009       66.18090 869.2000       95.00632 828.6000       92.24270 132.5105 7.353644 129.3772 7.313750 3.133240       10.37145 
1 1 1 1   16 28 o 155.0578 5.440248 1184.181       82.44133 1290.000       121.9065 1095.000       111.9128 161.3329 7.742247 148.6160 7.719678 12.71687       10.93324 
1 1 1 1   16 29 o 111.0004 5.159462 607.4786       55.90431 620.5000       80.58881 595.4000       77.61622 111.7548 7.409026 109.4891 7.283697 2.265747       10.38970 
1 1 1 1   16 30 o 149.5945 5.371900 1103.943       78.53156 1174.000       114.6396 1042.000       107.7968 153.6613 7.645930 144.7468 7.635358 8.914490       10.80550 
1 1 1 1   16 31 o 188.2737 5.999290 1753.235       110.4183 1825.000       159.3811 1687.000       153.1172 191.0700 8.543543 183.6919 8.539211 7.378036       12.07933 
1 1 1 1   16 32 o 90.17965 5.378047 402.9901       47.25655 441.8000       67.46229 365.6000       66.21684 93.93592 7.396715 85.22094 8.032845 8.714981       10.91962 
1 1 1 1   16 33 f 111.6651 5.203783 617.5399       56.72138 594.8000       79.26894 641.4000       81.19814 108.9013 7.481881 113.1440 7.371902 -4.242722      10.50350 
1 1 1 1   16 34 o 71.21770 6.022861 253.6809       41.59201 186.5000       56.52491 333.0000       61.41943 59.78813 10.01241 81.11023 7.833492 -21.32210      12.71267 
1 1 1 1   16 35 o 59.46229 6.630765 178.6804       37.93732 196.6000       52.69628 159.4000       54.66058 61.63903 8.999416 54.83424 10.56711 6.804790       13.87996 
1 1 1 1   16 36 o 100.0019 7.452419 506.7000       72.42326 506.7000       72.42326 0.000000       0.000000 100.0019 7.452419 ?        ?        ?              ?        
1 1 1 1   16 37 o 165.7252 3.756345 1355.407       60.93407 1343.326       68.37840 1402.000       134.2908 164.7436 4.243908 165.7168 8.305389 -0.9731903     9.326857 
1 1 1 1   16 38 o 84.30766 4.400981 353.1671       36.19232 336.8000       42.82104 394.1000       67.71868 82.02678 5.362698 87.61999 7.983443 -5.593208      9.617373 
1 1 1 1   16 39 o 41.01462 3.986240 84.00584       15.80163 86.84222       16.60666 56.86000       51.37510 41.67867 4.124668 33.95128 12.17318 7.727386       12.85299 
1 1 1 1   16 40 o 38.70110 4.047044 74.98559       15.10452 75.03967       15.79815 74.41000       51.54066 38.67254 4.243066 37.11970 12.23459 1.552845       12.94947 
1 1 1 1   16 41 o 93.33475 3.141032 430.2837       28.65515 423.4268       31.29216 465.9000       71.31777 92.49628 3.462361 94.98694 7.737536 -2.490654      8.476874 
1 1 1 1   16 42 o 50.60432 3.912210 127.8285       19.22794 117.2466       20.40763 211.5000       57.38496 48.33581 4.360204 62.53341 9.688315 -14.19760      10.62426 
1 1 1 1   16 43 o 153.5587 5.741801 1195.482       86.15157 1248.000       124.3461 1147.000       119.4734 154.0667 8.275875 147.6573 8.299687 6.409363       11.72071 
1 1 1 1   16 44 o 76.87460 3.582744 294.2523       26.88492 294.2523       26.88492 0.000000       0.000000 76.87460 3.582744 ?        ?        ?              ?        
1 1 1 1   16 45 o 31.49146 5.382327 51.58032       15.99531 49.45303       16.80322 72.12000       52.21260 30.68255 5.807550 35.33834 12.30785 -4.655796      13.60921 
1 1 1 1   16 46 o 72.47028 3.329962 261.5106       23.55826 260.7729       25.50366 265.8000       61.49911 72.25690 3.617431 69.26272 9.306451 2.994186       9.984780 
1 1 1 1   16 47 o 21.93897 6.618453 25.44905       15.39383 25.62432       16.25215 23.92000       48.00368 22.05723 6.829112 26.69586 11.10985 -4.638630      13.04092 
1 1 1 1   16 48 o 25.34082 6.659976 34.74119       16.73287 34.74119       16.73287 0.000000       0.000000 25.34082 6.659976 ?        ?        ?              ?        
1 1 1 1   16 49 o 95.77100 3.275336 457.1822       30.65890 487.3342       34.17620 332.9000       69.38577 98.73130 3.542151 76.81709 9.425265 21.91421       10.06889 
1 1 1 1   16 50 o 47.68367 5.407238 118.0427       24.79278 123.0000       28.49564 102.6000       50.29430 48.28317 6.170243 40.32202 11.91561 7.961151       13.41840 
1 1 1 1   16 51 o 33.23698 6.208663 59.40744       19.45624 60.44455       21.59231 54.93000       44.86435 33.22406 6.866689 30.69274 11.32012 2.531315       13.23995 
1 1 1 1   16 52 o 57.96940 4.238343 170.9606       23.88304 175.3470       27.13903 155.9000       50.28782 58.40963 4.788841 50.80428 10.46108 7.605347       11.50509 
1 1 1 1   16 53 o 16.73652 6.895987 7.094619       18.24186 4.680369       20.25148 17.48000       42.00266 16.85949 7.128433 24.10859 10.23293 -7.249105      12.47106 
1 1 1 1   16 54 o 26.88416 9.266190 40.78923       29.56076 49.94000       41.24103 31.12000       42.39323 29.36740 10.84946 26.14039 10.61067 3.227005       15.17555 
1 1 1 1   16 55 o 42.24904 7.535944 99.33757       30.02131 81.05000       39.45011 124.5000       46.27501 36.10270 10.52192 44.82807 10.69579 -8.725372      15.00369 
1 1 1 1   16 56 o 43.17300 5.709518 98.73393       23.53692 127.4000       40.11916 83.68920       29.06430 46.64928 9.113147 38.34423 8.002807 8.305058       12.12825 
1 1 1 1   16 57 o 57.10262 4.706331 168.0387       26.07207 213.2000       44.23887 144.0053       32.27222 62.19071 7.413051 51.66328 6.527183 10.52743       9.877117 
1 1 1 1   16 58 o 41.51001 6.073580 92.76669       23.94746 155.4000       41.05841 60.47449       29.48141 52.03687 8.342723 31.72059 9.050903 20.31627       12.30934 
1 1 1 1   16 59 o 23.77765 9.094574 29.49674       29.53054 21.85000       37.92693 41.27000       47.06063 23.47303 9.829741 27.42461 11.16189 -3.951588      14.87319 
1 1 1 1   17 0  o 190.4628 5.787692 1779.514       107.7749 1779.514       107.7749 0.000000       0.000000 190.4628 5.787692 ?        ?        ?              ?        
1 1 1 1   17 1  o 291.7806 6.579330 4174.219       187.9076 4400.011       238.1768 3802.000       305.8051 299.3153 8.137059 277.7574 11.27135 21.55795       13.90162 
1 1 1 1   17 2  o 264.8811 7.427505 3444.523       192.3850 3773.000       288.3517 3181.000       258.2735 276.7877 10.66308 254.1523 10.40396 22.63544       14.89777 
1 1 1 1   17 3  o 266.6968 7.455580 3492.102       194.4371 0.000000       0.000000 3492.102       194.4371 ?        ?        266.6968 7.455580 ?              ?        
1 1 1 1   17 4  o 275.7076 5.414054 3725.073       146.1092 3826.955       210.3017 3630.009       203.1433 279.1624 7.703622 271.8862 7.640820 7.276215       10.85025 
1 1 1 1   17 5  o 305.7148 5.929505 4581.458       177.4358 4847.943       260.4871 4350.777       242.3568 314.1048 8.480139 297.5724 8.328827 16.53247       11.88622 
1 1 1 1   17 6  o 358.6667 6.848551 6309.841       240.4341 6364.473       341.8467 6256.359       338.2324 359.6844 9.718557 356.6178 9.698606 3.066528       13.73001 
1 1 1 1   17 7  o 403.8277 7.645217 8004.147       302.1984 8034.305       428.5672 7974.323       426.1888 403.8579 10.85120 402.3512 10.83143 1.506714       15.33194 
1 1 1 1   17 8  o 470.1449 8.845322 10861.63       407.0536 11368.52       594.5204 10414.33       558.4891 479.8105 12.66984 459.2950 12.43416 20.51550       17.75199 
1 1 1 1   17 9  o 239.5832 5.573023 2814.024       130.6933 2728.633       156.8438 3008.000       236.3929 235.7245 6.804735 247.0741 9.794048 -11.34964      11.92593 
1 1 1 1   17 10 o 260.4597 7.252235 3332.880       184.7122 3216.000       255.4294 3461.000       267.4286 255.3614 10.23979 264.9062 10.33340 -9.544861      14.54759 
1 1 1 1   17 11 o 373.7977 7.115121 6859.821       260.3305 7198.962       380.6020 6561.656       356.8689 382.1660 10.18357 364.8920 10.00110 17.27402       14.27330 
1 1 1 1   17 12 o 307.6183 8.504088 4656.935       255.8169 4542.000       355.7540 4780.000       368.1225 302.9626 12.02036 310.7812 12.12454 -7.818573      17.07318 
1 1 1 1   17 13 o 270.0480 6.157391 3578.566       162.7586 3379.000       273.1880 3688.380       202.6499 261.4998 10.69551 273.8721 7.566739 -12.37234      13.10151 
1 1 1 1   17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17 15 o 367.9170 10.02723 6681.021       360.7711 7131.000       533.1714 6301.000       489.9760 378.4306 14.42015 355.8307 14.09565 22.59988       20.16502 
1 1 1 1   17 16 o 164.9137 5.395368 1335.653       86.97592 1236.000       118.2749 1453.000       128.3465 158.3525 7.653310 171.7205 7.655061 -13.36804      10.82465 
1 1 1 1   17 17 o 145.2498 5.126553 1036.203       72.77222 1005.000       101.6569 1069.000       104.2219 142.7823 7.297926 147.2762 7.252001 -4.493958      10.28840 
1 1 1 1   17 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   17 19 o 251.7909 10.30950 3140.000       253.5505 3140.000       253.5505 0.000000       0.000000 251.7909 10.30950 ?        ?        ?              ?        
1 1 1 1   17 20 o 154.4698 5.357073 1172.601       80.87599 1107.000       111.2968 1246.000       117.7256 149.7629 7.617298 158.9144 7.590296 -9.151489      10.75341 
1 1 1 1   17 21 o 291.8522 8.204942 4201.927       234.1604 4219.000       331.8675 4185.000       330.4429 291.2753 11.66363 290.0986 11.66086 1.176758       16.49290 
1 1 1 1   17 22 o 237.1232 9.902602 2787.000       229.3362 0.000000       0.000000 2787.000       229.3362 ?        ?        237.1232 9.902602 ?              ?        
1 1 1 1   17 23 o 211.4744 6.401385 2201.598       132.3542 2140.000       184.4353 2267.000       190.0450 207.8754 9.086255 213.9634 9.094994 -6.088013      12.85609 
1 1 1 1   17 24 o 240.3756 7.035220 2848.671       165.3510 3135.000       248.4476 2621.000       221.5417 251.2075 10.12480 229.7426 9.874677 21.46487       14.14287 
1 1 1 1   17 25 o 185.5351 5.915014 1694.704       107.2835 1662.000       149.9515 1729.000       153.5561 183.1900 8.384866 186.8447 8.417764 -3.654724      11.88128 
1 1 1 1   17 26 o 109.7179 5.147186 592.9037       55.12406 596.2000       79.83389 589.9000       76.20690 109.6399 7.483834 109.1148 7.174987 0.5251236      10.36765 
1 1 1 1   17 27 f 58.19001 6.967875 169.4512       38.89947 174.2000       58.12932 165.6000       52.34808 58.23715 10.58726 56.93700 9.742936 1.300152       14.38801 
1 1 1 1   17 28 o 142.3247 5.348555 998.4014       74.37886 981.5000       105.6660 1015.000       104.7156 140.5811 7.708457 143.0202 7.506386 -2.439072      10.75947 
1 1 1 1   17 29 o 177.0777 5.837672 1548.372       101.0452 1564.000       143.4941 1533.000       142.3123 177.1731 8.297326 175.3989 8.312791 1.774124       11.74513 
1 1 1 1   17 30 o 173.4979 5.763046 1487.791       97.73487 1511.000       138.8490 1465.000       137.5955 173.9901 8.175761 171.2932 8.230580 2.696915       11.60110 
1 1 1 1   17 31 o 56.12115 7.159419 158.9832       38.43453 144.8000       53.25628 174.4000       55.52388 52.59234 10.70960 58.01078 10.14771 -5.418438      14.75369 
1 1 1 1   17 32 o 134.2067 5.288439 891.6805       69.33568 915.1000       98.96211 869.1000       97.17327 135.1847 7.508353 131.7088 7.569352 3.475861       10.66163 
1 1 1 1   17 33 o 88.02808 5.528801 385.4577       47.39794 348.7000       64.78292 427.8000       69.53021 82.94249 8.081915 92.04861 7.790106 -9.106125      11.22511 
1 1 1 1   17 34 o 42.48163 9.065706 94.88361       36.54837 104.6000       50.81467 84.47000       52.60627 44.07113 11.61715 39.93939 12.27265 4.131737       16.89900 
1 1 1 1   17 35 o 111.1332 7.465465 625.0000       80.73841 625.0000       80.73841 0.000000       0.000000 111.1332 7.465465 ?        ?        ?              ?        
1 1 1 1   17 36 o 106.9183 5.316780 570.0296       55.46801 605.0000       78.63637 535.4000       78.25226 109.2262 7.398798 102.4933 7.859984 6.732857       10.79452 
1 1 1 1   17 37 o 66.42385 9.613524 232.5000       60.68935 0.000000       0.000000 232.5000       60.68935 ?        ?        66.42385 9.613524 ?              ?        
1 1 1 1   17 38 o 56.32344 10.93166 172.6000       58.09322 0.000000       0.000000 172.6000       58.09322 ?        ?        56.32344 10.93166 ?              ?        
1 1 1 1   17 39 f 72.02296 6.242119 262.9370       43.57169 267.5000       62.41735 258.6000       60.85181 71.28796 9.156222 70.11707 9.079279 1.170891       12.89456 
1 1 1 1   17 40 o 65.98376 6.574949 222.4627       41.90082 153.4000       56.99336 303.7000       61.81307 52.46174 11.42331 76.23286 8.424206 -23.77112      14.19363 
1 1 1 1   17 41 o 52.29795 7.911588 143.8855       39.23571 200.7000       56.96938 92.62000       54.11587 60.85625 9.904050 40.34309 12.45657 20.51315       15.91403 
1 1 1 1   17 42 o 37.92403 10.30409 80.63100       39.23724 90.92000       55.97336 70.69000       55.01863 39.63350 12.72781 35.89574 12.62468 3.737759       17.92706 
1 1 1 1   17 43 o 73.43385 6.493657 278.4456       46.19527 315.9000       66.34566 243.2000       64.35955 76.47032 9.038132 66.11226 10.27933 10.35806       13.68768 
1 1 1 1   17 44 o 39.93131 3.626942 79.95801       14.02172 75.00009       14.49169 152.7000       55.50879 38.59349 3.889164 51.06470 11.39486 -12.47121      12.04029 
1 1 1 1   17 45 o 46.91459 3.715873 110.3748       16.92450 110.3748       16.92450 0.000000       0.000000 46.91459 3.715873 ?        ?        ?              ?        
1 1 1 1   17 46 o 30.57421 4.818324 48.28442       13.94291 45.19777       14.50574 85.76000       50.54412 29.42954 5.227074 37.59054 12.09698 -8.161001      13.17798 
1 1 1 1   17 47 o 47.33186 3.842825 112.7421       17.65068 112.7421       17.65068 0.000000       0.000000 47.33186 3.842825 ?        ?        ?              ?        
1 1 1 1   17 48 o 15.66045 6.073254 8.873336       13.29857 7.214136       13.86339 28.00000       47.06949 15.35984 6.125640 26.89733 11.07936 -11.53749      12.66000 
1 1 1 1   17 49 f 62.06171 3.652580 193.3332       22.09048 201.3812       24.22978 153.7000       53.76920 63.21892 3.935092 50.34436 11.20030 12.87456       11.87146 
1 1 1 1   17 50 o 57.06075 3.501153 163.4208       19.46071 174.7485       21.09586 98.73000       50.41350 58.93824 3.675024 39.25617 12.00506 19.68208       12.55497 
1 1 1 1   17 51 o 69.56670 3.243581 242.0518       22.02598 237.6108       24.02139 265.5000       55.19683 68.76304 3.581263 68.95078 8.348211 -0.1877441     9.083946 
1 1 1 1   17 52 o 26.29894 6.253609 37.70802       15.86147 50.43737       17.02415 -46.05000      43.66921 30.66143 5.886360 17.87467 8.585155 12.78676       10.40933 
1 1 1 1   17 53 o 16.10561 6.471649 8.165719       15.59401 19.10065       16.86745 -56.16000      40.91040 19.65598 6.983111 16.41011 7.983654 3.245871       10.60672 
1 1 1 1   17 54 o 33.52379 5.441546 59.50914       17.24420 59.82601       18.74118 57.76000       44.03205 33.37781 5.954769 30.85924 11.24170 2.518568       12.72145 
1 1 1 1   17 55 o 16.83238 6.843452 8.466768       17.66766 3.121461       19.40707 34.34000       42.69716 16.20025 6.918550 26.59686 10.70123 -10.39661      12.74294 
1 1 1 1   17 56 o 54.70949 3.765718 151.5667       20.04285 189.9901       26.36284 98.93732       30.85373 60.88636 4.454319 41.85955 7.817624 19.02681       8.997567 
1 1 1 1   17 57 o 42.67491 4.863088 94.80637       19.95173 88.00433       23.36845 113.1000       38.32307 40.43206 6.093845 43.56016 9.272767 -3.128098      11.09591 
1 1 1 1   17 58 o 19.89456 7.393476 19.16259       19.20327 17.17030       21.36748 27.53000       43.78974 19.77678 7.690319 25.20844 10.55973 -5.431660      13.06326 
1 1 1 1   17 59 o 51.76106 4.029424 137.1881       20.25442 136.8260       26.21106 137.7248       31.91087 50.86100 5.344708 50.02271 6.684418 0.8382912      8.558466 
1 1 1 1   18 0  o 113.2783 4.605827 629.7324       50.96288 629.7324       50.96288 0.000000       0.000000 113.2783 4.605827 ?        ?        ?              ?        
1 1 1 1   18 1  o 499.2820 13.33652 12320.29       651.1869 0.000000       0.000000 12320.29       651.1869 ?        ?        499.2820 13.33652 ?              ?        
1 1 1 1   18 2  o 146.5851 4.962932 1054.160       71.10621 1138.000       104.4719 981.8000       97.05587 152.1303 7.034850 141.2801 7.040525 10.85016       9.952794 
1 1 1 1   18 3  o 210.7923 4.365886 2176.823       90.08101 2218.983       129.1007 2136.822       125.7528 212.6241 6.209768 208.6517 6.164046 3.972412       8.749668 
1 1 1 1   18 4  o 352.3169 6.744633 6089.918       232.5938 6316.431       337.3808 5884.743       321.0974 358.2250 9.630576 345.7859 9.495871 12.43918       13.52478 
1 1 1 1   18 5  o 404.2994 7.662093 8026.086       303.2192 8168.490       434.0724 7890.376       423.7475 407.0461 10.90445 400.0715 10.83086 6.974670       15.36927 
1 1 1 1   18 6  f 195.3667 4.130604 1869.845       78.98967 1765.960       108.2080 1988.349       115.5718 189.6798 5.835107 201.2760 5.872435 -11.59621      8.278524 
1 1 1 1   18 7  o 545.2070 10.22004 14639.42       545.4063 15401.19       799.9118 13977.59       745.5919 557.1776 14.67982 530.9391 14.35982 26.23846       20.53538 
1 1 1 1   18 8  o 219.8653 4.499712 2368.881       96.83842 2478.873       140.9806 2270.626       133.2468 224.6730 6.417227 215.0300 6.337613 9.643005       9.019210 
1 1 1 1   18 9  o 275.9180 7.730210 3743.531       208.5688 3598.000       287.5905 3905.000       302.9285 269.8664 10.90977 281.1328 11.02976 -11.26642      15.51382 
1 1 1 1   18 10 o 103.2115 3.450300 522.3635       34.80809 556.3242       44.57608 469.3000       55.72017 106.4634 4.286316 97.63362 5.857448 8.829758       7.258251 
1 1 1 1   18 11 o 304.4393 6.844144 4551.307       203.9511 4557.000       353.7230 4548.472       249.6226 303.3662 11.93544 303.9729 8.397676 -0.6067200     14.59368 
1 1 1 1   18 12 o 171.1247 3.739962 1434.684       62.64496 1537.000       133.3511 1405.710       70.96276 176.6527 7.730776 169.3062 4.285491 7.346466       8.839137 
1 1 1 1   18 13 o 261.3900 5.167470 3350.888       132.2127 3432.000       270.7900 3325.500       151.4976 263.4685 10.52136 260.3101 5.945776 3.158417       12.08517 
1 1 1 1   18 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   18 15 o 148.3288 5.149619 1080.582       74.65307 1130.000       107.7735 1035.000       103.5065 151.4235 7.292749 144.8993 7.321578 6.524139       10.33391 
1 1 1 1   18 16 o 215.1415 6.411745 2275.862       134.8720 2242.000       188.9978 2311.000       192.5268 213.0355 9.084413 216.2880 9.114378 -3.252472      12.86851 
1 1 1 1   18 17 o 213.8538 9.081752 2260.000       189.6718 2260.000       189.6718 0.000000       0.000000 213.8538 9.081752 ?        ?        ?              ?        
1 1 1 1   18 18 o 220.1590 9.303859 2397.000       200.0440 2397.000       200.0440 0.000000       0.000000 220.1590 9.303859 ?        ?        ?              ?        
1 1 1 1   18 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   18 20 o 160.8803 7.767266 1278.000       121.9529 0.000000       0.000000 1278.000       121.9529 ?        ?        160.8803 7.767266 ?              ?        
1 1 1 1   18 21 o 68.30646 8.642932 233.9000       56.49531 0.000000       0.000000 233.9000       56.49531 ?        ?        68.30646 8.642932 ?              ?        
1 1 1 1   18 22 o 146.6871 5.323761 1058.190       76.31252 1093.000       110.0967 1026.000       105.8717 148.7172 7.588304 144.0854 7.532945 4.631851       10.69241 
1 1 1 1   18 23 o 104.9242 5.129858 541.9845       52.52534 491.3000       71.83953 600.2000       76.99195 99.55357 7.425745 110.1310 7.181330 -10.57738      10.33021 
1 1 1 1   18 24 o 163.2359 5.546652 1311.419       88.49558 1367.000       128.3152 1261.000       122.2111 166.1886 7.910780 159.6153 7.846260 6.573303       11.14200 
1 1 1 1   18 25 o 243.4249 7.120874 2926.199       169.4874 3025.000       244.6358 2835.000       235.0352 246.3697 10.16624 238.5265 10.08956 7.843201       14.32312 
1 1 1 1   18 26 o 120.1942 5.215526 711.8040       61.21432 789.2000       90.11805 645.5000       83.41074 126.1732 7.328443 114.0286 7.515014 12.14457       10.49674 
1 1 1 1   18 27 o 146.6399 5.395548 1060.023       77.31306 1033.000       108.4005 1088.000       110.2986 144.2169 7.707064 148.0357 7.637799 -3.818817      10.85057 
1 1 1 1   18 28 o 196.1877 6.170912 1902.387       118.3551 2108.000       176.6771 1735.000       159.4102 205.4994 8.803819 186.4176 8.760715 19.08182       12.42004 
1 1 1 1   18 29 o 261.8634 7.623886 3411.005       195.2067 3456.000       277.6113 3367.000       274.5423 261.4241 10.87262 258.0135 10.89530 3.410645       15.39225 
1 1 1 1   18 30 o 80.47038 5.682872 321.6374       44.47416 271.9000       60.31573 380.9000       65.83845 73.24065 8.575600 87.07073 7.807851 -13.83009      11.59756 
1 1 1 1   18 31 o 180.3385 5.932452 1613.431       104.5773 1536.000       143.5504 1701.000       152.6588 174.7633 8.416404 183.8779 8.504799 -9.114639      11.96526 
1 1 1 1   18 32 o 68.46465 6.260005 234.9322       41.48777 217.8000       58.06557 252.8000       59.29901 64.94646 9.407541 70.26534 8.815348 -5.318871      12.89233 
1 1 1 1   18 33 o 137.7218 5.363077 941.9274       72.15926 932.0000       100.9478 952.3000       103.1862 136.0001 7.613579 137.4319 7.701385 -1.431824      10.82949 
1 1 1 1   18 34 f 78.05966 8.353533 312.3000       62.83555 312.3000       62.83555 0.000000       0.000000 78.05966 8.353533 ?        ?        ?              ?        
1 1 1 1   18 35 o 193.6262 6.250923 1878.152       118.3164 1854.000       166.1494 1903.000       168.5253 190.0916 8.954720 192.5820 8.964718 -2.490372      12.67096 
1 1 1 1   18 36 o 117.0479 7.667913 698.1000       87.36732 0.000000       0.000000 698.1000       87.36732 ?        ?        117.0479 7.667913 ?              ?        
1 1 1 1   18 37 o 31.37512 10.59619 49.90522       38.62036 82.71000       55.87689 19.90000       53.43947 39.05888 12.73123 28.46155 11.77243 10.59733       17.33996 
1 1 1 1   18 38 o 57.64942 7.594645 172.0222       41.81434 153.4000       58.26424 191.8000       60.04478 52.58495 11.62872 59.44867 10.71273 -6.863716      15.81106 
1 1 1 1   18 39 o 123.0794 5.420606 760.2618       65.14378 767.9000       92.35996 752.7000       91.89622 122.1223 7.766737 120.8710 7.809077 1.251312       11.01380 
1 1 1 1   18 40 o 55.68129 7.659976 161.8929       40.64355 129.0000       56.48753 197.2000       58.52388 47.54705 12.10693 60.14749 10.31145 -12.60044      15.90295 
1 1 1 1   18 41 o 82.72863 6.050864 348.6361       48.65925 375.8000       69.69302 322.8000       67.96851 84.30260 8.564584 77.70956 9.108324 6.593040       12.50255 
1 1 1 1   18 42 o 69.97985 6.695757 253.5241       45.30603 277.9000       64.58018 229.9000       63.57643 71.44897 9.466887 64.19737 10.47862 7.251602       14.12173 
1 1 1 1   18 43 o 87.69512 5.795894 393.7213       49.47207 388.6000       68.81327 399.2000       71.17461 85.14471 8.364586 86.13756 8.554552 -0.9928436     11.96439 
1 1 1 1   18 44 o 53.99130 7.496008 155.4921       38.54790 113.4000       51.78490 207.8000       57.72797 43.41812 11.85443 60.70439 10.06795 -17.28627      15.55285 
1 1 1 1   18 45 o 58.38939 6.973880 180.2519       39.07077 165.4000       53.30084 197.5000       57.43984 53.47919 10.55713 58.70383 10.37574 -5.224636      14.80233 
1 1 1 1   18 46 o 21.00521 9.832810 -32.31000      50.54077 -32.31000      50.54077 0.000000       0.000000 21.00521 9.832810 ?        ?        ?              ?        
1 1 1 1   18 47 o 52.56516 7.730238 150.1055       38.58691 200.1000       55.83569 104.4000       53.38689 58.98239 10.03000 40.71370 12.33464 18.26869       15.89793 
1 1 1 1   18 48 o 29.01757 11.48390 41.71000       48.36693 0.000000       0.000000 41.71000       48.36693 ?        ?        29.01757 11.48390 ?              ?        
1 1 1 1   18 49 o 88.34217 5.493963 403.4915       47.27215 414.4000       65.72404 391.8000       68.04202 87.26129 7.776164 84.18031 8.368426 3.080978       11.42363 
1 1 1 1   18 50 f 64.82883 6.102824 221.6797       38.27068 277.6000       54.68475 168.0000       53.57804 70.82803 8.029262 52.56911 10.77467 18.25892       13.43736 
1 1 1 1   18 51 o 64.56375 5.807909 218.8956       36.31224 252.3000       51.12949 184.9000       51.58001 67.50466 7.886483 56.04487 9.756667 11.45979       12.54548 
1 1 1 1   18 52 o 33.76699 9.071949 67.11389       30.62047 70.21000       41.61843 63.46000       45.21221 33.57497 10.99024 32.09151 11.42949 1.483459       15.85618 
1 1 1 1   18 53 o 32.09753 9.221064 61.15478       30.49964 78.96000       42.15206 41.59000       44.18579 35.33650 11.00749 27.97959 11.00624 7.356913       15.56606 
1 1 1 1   18 54 o 32.33839 8.912285 61.66188       29.11380 52.81000       38.35206 73.70000       44.72501 29.74637 10.53350 33.95020 11.40271 -4.203823      15.52342 
1 1 1 1   18 55 o 21.87803 9.806460 -0.9667000E-01 43.41138 0.000000       0.000000 -0.9667000E-01 43.41138 ?        ?        21.87803 9.806460 ?              ?        
1 1 1 1   18 56 o 55.78883 8.023897 175.4000       42.55783 0.000000       0.000000 175.4000       42.55783 ?        ?        55.78883 8.023897 ?              ?        
1 1 1 1   18 57 o 25.53336 10.60061 29.29000       43.55476 0.000000       0.000000 29.29000       43.55476 ?        ?        25.53336 10.60061 ?              ?        
1 1 1 1   18 58 o 43.49174 7.248013 106.3340       29.77012 0.000000       0.000000 106.3340       29.77012 ?        ?        43.49174 7.248013 ?              ?        
1 1 1 1   19 0  o 228.3374 6.579093 2560.781       146.8913 0.000000       0.000000 2560.781       146.8913 ?        ?        228.3374 6.579093 ?              ?        
1 1 1 1   19 1  o 269.5853 7.552272 3572.496       199.0912 3401.000       273.1038 3767.000       290.8480 262.4588 10.65280 276.2138 10.77826 -13.75507      15.15431 
1 1 1 1   19 2  o 332.0069 6.393285 5408.843       207.7674 5586.901       300.5017 5245.770       287.5791 336.8514 9.122256 326.4222 9.009214 10.42920       12.82113 
1 1 1 1   19 3  o 283.6988 6.434709 3949.632       178.6869 3902.215       217.1749 4049.000       314.3893 281.6928 7.884153 286.2443 11.24269 -4.551514      13.73164 
1 1 1 1   19 4  o 210.2779 4.368136 2166.759       89.90752 2300.616       132.0292 2051.015       122.7718 216.4451 6.238344 204.3671 6.144338 12.07802       8.756130 
1 1 1 1   19 5  o 314.3036 6.085296 4846.881       187.2135 5118.397       274.6999 4611.394       255.8264 322.4486 8.711439 306.0838 8.547206 16.36481       12.20426 
1 1 1 1   19 6  o 104.6704 3.157814 537.0549       32.31616 490.8491       45.31466 584.8748       46.09934 99.96440 4.643821 109.1624 4.322898 -9.197998      6.344488 
1 1 1 1   19 7  o 199.7282 4.831196 1955.588       94.44964 2014.765       118.3928 1852.000       156.6412 202.5508 5.978062 193.8817 8.272987 8.669098       10.20684 
1 1 1 1   19 8  o 180.2584 3.904613 1592.030       68.89375 1464.711       93.24982 1745.050       102.2291 172.7165 5.522892 188.5349 5.545602 -15.81836      7.826624 
1 1 1 1   19 9  o 153.3815 4.904418 1154.650       73.53737 1131.000       103.2477 1179.000       104.7639 151.5805 6.977462 154.7758 6.932759 -3.195297      9.836062 
1 1 1 1   19 10 o 212.7263 4.394434 2218.051       91.50196 2386.886       135.5663 2076.771       124.0110 220.4116 6.290071 205.5985 6.169154 14.81316       8.810417 
1 1 1 1   19 11 o 210.6508 4.358412 2175.077       89.86649 2353.282       133.4505 2027.211       121.5608 218.8453 6.236195 203.1207 6.121091 15.72462       8.738299 
1 1 1 1   19 12 o 214.6912 4.412017 2259.593       92.71664 2342.000       191.8301 2234.475       105.9086 217.8117 9.017159 213.4375 5.069374 4.374130       10.34445 
1 1 1 1   19 13 o 129.0101 4.300333 816.8099       54.22812 0.000000       0.000000 816.8099       54.22812 ?        ?        129.0101 4.300333 ?              ?        
1 1 1 1   19 14 o 97.13155 3.477386 462.8505       33.00792 503.4000       65.33678 448.9548       38.24768 100.9952 6.646169 95.61532 4.096179 5.379845       7.807064 
1 1 1 1   19 15 o 240.8189 6.978612 2854.055       164.3265 2622.000       219.9857 3147.000       247.1676 230.1927 9.785625 252.1554 10.03426 -21.96268      14.01588 
1 1 1 1   19 16 o 169.2699 7.859248 1414.000       129.8613 1414.000       129.8613 0.000000       0.000000 169.2699 7.859248 ?        ?        ?              ?        
1 1 1 1   19 17 o 148.6907 7.440293 1091.000       107.9439 1091.000       107.9439 0.000000       0.000000 148.6907 7.440293 ?        ?        ?              ?        
1 1 1 1   19 18 o 183.7376 5.843506 1660.044       104.9603 1638.000       146.9560 1683.000       149.9623 182.0837 8.266931 184.5613 8.322506 -2.477554      11.73057 
1 1 1 1   19 19 o 129.9047 7.248274 833.4000       91.79945 0.000000       0.000000 833.4000       91.79945 ?        ?        129.9047 7.248274 ?              ?        
1 1 1 1   19 20 o 272.7127 11.07249 3700.000       294.9531 0.000000       0.000000 3700.000       294.9531 ?        ?        272.7127 11.07249 ?              ?        
1 1 1 1   19 21 f 117.2590 5.099021 676.4916       58.38479 661.6000       82.40788 691.5000       82.73019 115.6347 7.318261 118.2522 7.181262 -2.617470      10.25317 
1 1 1 1   19 22 f 367.4464 10.12220 6706.259       363.7149 7229.000       541.3058 6276.000       491.0934 378.5090 14.63793 352.9241 14.24524 25.58490       20.42538 
1 1 1 1   19 23 o 106.5607 5.115853 559.2255       53.20481 579.3000       76.17066 540.1000       74.34837 108.1287 7.238509 104.3743 7.323809 3.754456       10.29729 
1 1 1 1   19 24 o 205.8846 6.340973 2090.431       127.6345 2230.000       187.5364 1970.000       174.2048 211.8225 9.065940 199.1039 8.961668 12.71867       12.74766 
1 1 1 1   19 25 o 142.9294 5.352376 1006.516       74.74918 1025.000       106.8501 988.8000       104.6081 143.7500 7.621063 141.1877 7.597402 2.562363       10.76109 
1 1 1 1   19 26 o 117.8841 5.215343 685.3185       60.02996 690.8000       85.95772 680.1000       83.87112 117.8849 7.488089 116.9952 7.361142 0.8897247      10.50038 
1 1 1 1   19 27 o 124.0075 5.241567 758.9164       63.47970 761.9000       89.53037 755.9000       90.01933 123.7374 7.426191 123.2277 7.498628 0.5097198      10.55357 
1 1 1 1   19 28 o 119.5110 5.228418 705.5776       61.01437 722.9000       85.85277 687.9000       86.72860 120.4416 7.316867 117.3996 7.587903 3.041977       10.54101 
1 1 1 1   19 29 o 57.11699 7.315134 164.8527       39.95963 95.68000       53.75331 250.3000       59.74297 42.65533 12.23760 70.12520 8.904238 -27.46987      15.13421 
1 1 1 1   19 30 f 128.2576 5.304303 814.6495       66.44763 745.1000       90.09590 897.6000       98.39371 121.8985 7.588563 133.8533 7.540351 -11.95478      10.69781 
1 1 1 1   19 31 f 84.38937 5.660660 354.6698       46.48811 339.5000       64.75811 370.8000       66.77658 81.78474 8.199881 85.55086 8.069655 -3.766113      11.50467 
1 1 1 1   19 32 o 138.3951 5.418380 951.4662       73.25822 1059.000       106.9158 856.3000       100.5798 145.0196 7.558063 130.1788 7.931039 14.84084       10.95562 
1 1 1 1   19 33 o 149.9570 7.835536 1139.000       114.6126 1139.000       114.6126 0.000000       0.000000 149.9570 7.835536 ?        ?        ?              ?        
1 1 1 1   19 34 o 107.4387 5.301864 575.4495       55.58429 533.0000       76.54699 622.8000       80.84510 102.3581 7.696486 110.7887 7.499271 -8.430595      10.74593 
1 1 1 1   19 35 o 40.24910 12.48111 88.24000       54.26171 0.000000       0.000000 88.24000       54.26171 ?        ?        40.24910 12.48111 ?              ?        
1 1 1 1   19 36 o 61.03884 7.123368 190.9338       41.76050 181.1000       58.86171 200.9000       59.25679 57.82408 10.79659 61.25107 10.24523 -3.426991      14.88392 
1 1 1 1   19 37 o 114.4844 5.416498 656.6070       60.52542 704.4000       86.76211 611.3000       84.47543 117.2999 7.597463 109.0005 7.972785 8.299461       11.01303 
1 1 1 1   19 38 o 127.9701 5.396043 821.4063       67.43951 842.6000       95.93347 800.7000       94.82396 128.0331 7.690388 124.7081 7.807311 3.324936       10.95884 
1 1 1 1   19 39 o 95.93874 5.619203 464.0607       52.53750 399.3000       71.51270 540.0000       77.43916 87.35525 8.469652 102.1662 7.802706 -14.81097      11.51596 
1 1 1 1   19 40 o 56.62760 7.624532 168.1922       41.18890 191.5000       58.64368 145.5000       57.86395 58.80569 10.57700 50.31073 11.93189 8.494968       15.94499 
1 1 1 1   19 41 o 58.78905 7.543542 181.9634       42.40971 116.8000       57.86295 257.6000       62.33971 44.28315 12.69431 68.77724 9.514626 -24.49408      15.86423 
1 1 1 1   19 42 o 58.97895 7.446969 184.0610       42.03492 226.6000       59.72256 142.3000       59.17394 63.84196 9.875587 48.64802 12.39373 15.19394       15.84714 
1 1 1 1   19 43 o 66.43513 6.499063 229.7782       41.72248 168.4000       55.35688 310.5000       63.48340 53.99086 10.85159 75.59362 8.740458 -21.60276      13.93386 
1 1 1 1   19 44 o 42.43629 8.957227 100.8874       36.03596 117.5000       48.51436 80.44000       53.82320 44.44336 11.16734 36.52439 12.50641 7.918972       16.76663 
1 1 1 1   19 45 o 28.53240 11.28104 37.71000       46.63197 37.71000       46.63197 0.000000       0.000000 28.53240 11.28104 ?        ?        ?              ?        
1 1 1 1   19 46 o 40.47082 9.412402 93.94911       36.57965 91.69000       52.25439 96.12000       51.22389 38.37151 12.29526 39.32409 12.11516 -0.9525719     17.26124 
1 1 1 1   19 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   19 48 o 81.29646 5.629834 342.3550       44.52282 369.1000       62.22539 314.3000       63.73116 82.39209 7.808916 74.94924 8.858153 7.442848       11.80873 
1 1 1 1   19 49 o 29.15627 9.836152 49.14577       33.27872 83.45000       46.06261 11.69000       48.13202 36.32756 11.53326 24.47117 10.67306 11.85639       15.71402 
1 1 1 1   19 50 o 27.43835 9.421542 42.73386       30.55113 40.07000       42.69174 45.53000       43.73893 27.71743 10.84373 28.75288 11.05038 -1.035446      15.48216 
1 1 1 1   19 51 o 28.77970 9.360787 48.16140       30.21600 46.92000       41.17548 49.61000       44.47925 28.83088 10.80399 29.50572 11.19111 -0.6748428     15.55530 
1 1 1 1   19 52 o 34.16886 9.213928 69.38155       31.51561 60.05000       42.69787 80.55000       46.71172 31.29552 11.11114 35.28050 11.64820 -3.984987      16.09776 
1 1 1 1   19 53 f 52.43731 6.761683 148.9446       33.89873 181.3000       46.63625 112.7000       49.35969 56.20886 8.762012 41.58937 11.65849 14.61949       14.58401 
1 1 1 1   19 54 o 28.82741 9.103070 48.80661       28.73009 46.67000       37.43155 51.87000       44.82038 28.39571 10.36178 29.68665 11.23985 -1.290939      15.28728 
1 1 1 1   19 55 o 39.57582 10.13195 96.85000       39.41273 0.000000       0.000000 96.85000       39.41273 ?        ?        39.57582 10.13195 ?              ?        
1 1 1 1   19 56 o 25.07016 10.58931 24.87000       44.61535 0.000000       0.000000 24.87000       44.61535 ?        ?        25.07016 10.58931 ?              ?        
1 1 1 1   19 57 o 39.45492 7.971133 89.87553       29.72340 0.000000       0.000000 89.87553       29.72340 ?        ?        39.45492 7.971133 ?              ?        
1 1 1 1   19 58 o 17.51954 7.746608 0.5912131E-01  26.15929 0.000000       0.000000 0.5912131E-01  26.15929 ?        ?        17.51954 7.746608 ?              ?        
1 1 1 1   20 0  o 261.1440 5.993588 3346.482       153.2051 3412.000       269.0386 3315.040       186.3756 262.7690 10.48109 259.6400 7.340868 3.129028       12.79615 
1 1 1 1   20 1  o 174.0928 5.456927 1488.052       92.87495 0.000000       0.000000 1488.052       92.87495 ?        ?        174.0928 5.456927 ?              ?        
1 1 1 1   20 2  o 132.2279 3.901025 857.4139       50.43509 769.7000       85.05207 904.9855       62.63600 124.9881 6.979730 135.7882 4.719724 -10.80013      8.425700 
1 1 1 1   20 3  o 317.8097 7.105687 4961.998       221.0444 5115.237       276.5674 4691.000       367.7889 322.2425 8.776403 307.6325 12.23849 14.60999       15.06007 
1 1 1 1   20 4  o 219.5543 5.232385 2364.097       112.4470 2423.956       139.7105 2254.000       189.4743 222.1061 6.433098 213.7456 9.076882 8.360504       11.12540 
1 1 1 1   20 5  o 296.2917 6.691351 4311.399       194.0616 4203.253       233.6392 4552.000       348.4902 292.1907 8.177116 303.1326 11.76732 -10.94183      14.32951 
1 1 1 1   20 6  o 198.2645 4.183518 1926.483       81.18821 2101.232       121.0836 1783.744       109.4332 206.8264 5.987293 190.5610 5.873916 16.26538       8.387525 
1 1 1 1   20 7  o 265.5616 5.256026 3459.222       136.6246 3363.806       189.9335 3561.532       196.6757 261.4784 7.428482 269.0506 7.475350 -7.572266      10.53865 
1 1 1 1   20 8  o 251.6089 5.025119 3104.892       123.7595 3206.641       178.7475 3011.204       171.5208 255.3218 7.159369 247.4249 7.089496 7.896927       10.07559 
1 1 1 1   20 9  o 271.7359 5.368081 3622.930       142.7816 3852.099       210.2305 3426.715       194.5296 279.7269 7.685410 263.8475 7.540016 15.87946       10.76649 
1 1 1 1   20 10 o 295.0468 5.759898 4273.184       166.3458 4545.147       244.9825 4040.524       226.5897 303.7070 8.248523 286.3759 8.091574 17.33112       11.55473 
1 1 1 1   20 11 o 142.5619 4.669950 997.7491       65.07820 996.5000       92.00362 999.0000       92.06535 142.2514 6.625781 142.4306 6.621815 -0.1792297     9.367465 
1 1 1 1   20 12 o 79.43159 3.092071 309.5409       23.99488 377.6000       57.28753 295.0605       26.42447 87.38876 6.749549 77.52190 3.491335 9.866852       7.599068 
1 1 1 1   20 13 o 289.8413 5.673780 4124.609       160.9678 3953.000       314.5286 4185.505       187.3636 282.1604 11.41182 291.8166 6.559476 -9.656189      13.16269 
1 1 1 1   20 14 o 71.41953 3.465469 250.5308       24.15388 0.000000       0.000000 250.5308       24.15388 ?        ?        71.41953 3.465469 ?              ?        
1 1 1 1   20 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   20 16 o 199.7418 6.126757 1962.471       119.6443 1960.000       168.2204 1965.000       170.2023 199.1199 8.651579 199.3530 8.743675 -0.2330627     12.30047 
1 1 1 1   20 17 o 201.7649 6.182709 2002.917       121.9601 1941.000       169.1245 2070.000       176.0385 198.0956 8.743730 204.5678 8.812193 -6.472229      12.41401 
1 1 1 1   20 18 o 133.2301 7.311431 876.9000       94.98232 0.000000       0.000000 876.9000       94.98232 ?        ?        133.2301 7.311431 ?              ?        
1 1 1 1   20 19 o 181.1137 8.317248 1623.000       147.0538 0.000000       0.000000 1623.000       147.0538 ?        ?        181.1137 8.317248 ?              ?        
1 1 1 1   20 20 o 163.0551 5.540157 1308.153       88.29402 1228.000       121.4517 1398.000       128.5867 157.5378 7.901350 168.1287 7.835092 -10.59093      11.12744 
1 1 1 1   20 21 o 153.4280 5.415616 1158.429       81.20396 1211.000       117.2697 1110.000       112.5549 156.4476 7.681398 149.7607 7.704105 6.686859       10.87921 
1 1 1 1   20 22 o 188.1759 5.979524 1744.709       109.9981 1656.000       151.3596 1844.000       160.1324 182.7018 8.486905 192.8084 8.505841 -10.10667      12.01569 
1 1 1 1   20 23 o 170.8301 5.692842 1437.938       95.05887 1519.000       138.6306 1366.000       130.5960 174.9837 8.115957 165.9324 8.064829 9.051346       11.44160 
1 1 1 1   20 24 o 168.7356 5.658728 1403.689       93.32904 1358.000       130.1847 1452.000       133.8667 165.3401 8.068421 170.9942 8.020417 -5.654037      11.37658 
1 1 1 1   20 25 o 77.13139 5.710875 294.8277       42.81031 276.3000       60.83829 313.0000       60.25181 74.07566 8.547197 79.05357 7.891852 -4.977913      11.63340 
1 1 1 1   20 26 o 95.35616 5.335990 449.5556       49.60600 493.1000       69.87109 405.3000       70.43932 99.47616 7.225083 89.92333 8.089062 9.552826       10.84596 
1 1 1 1   20 27 o 123.9474 5.273072 759.1758       63.82837 750.4000       88.47603 768.7000       92.17123 122.6579 7.403729 124.0794 7.625929 -1.421432      10.62873 
1 1 1 1   20 28 o 177.0367 5.861532 1552.750       101.4335 1487.000       138.8470 1628.000       148.5405 172.2166 8.260826 180.1153 8.448894 -7.898773      11.81631 
1 1 1 1   20 29 o 45.96286 8.716499 109.5415       37.78074 69.03000       52.09203 154.5000       54.87673 37.13329 12.30235 54.18904 10.72572 -17.05576      16.32143 
1 1 1 1   20 30 o 44.53505 8.953577 103.6151       37.67583 64.44000       52.81690 144.2000       53.75892 36.19787 12.38911 52.12738 10.88781 -15.92950      16.49347 
1 1 1 1   20 31 o 122.9227 7.539956 761.8000       90.28432 761.8000       90.28432 0.000000       0.000000 122.9227 7.539956 ?        ?        ?              ?        
1 1 1 1   20 32 f 87.64452 7.855731 391.1000       66.67941 391.1000       66.67941 0.000000       0.000000 87.64452 7.855731 ?        ?        ?              ?        
1 1 1 1   20 33 o 141.4961 5.438445 998.1627       75.18241 946.2000       103.5889 1056.000       109.2878 136.4514 7.788190 144.1833 7.772465 -7.731903      11.00305 
1 1 1 1   20 34 o 113.0362 7.654047 651.1000       84.18722 0.000000       0.000000 651.1000       84.18722 ?        ?        113.0362 7.654047 ?              ?        
1 1 1 1   20 35 o 77.78002 5.946010 304.9160       44.92572 271.4000       61.44992 343.4000       65.84687 72.07455 8.899107 81.45284 8.378255 -9.378296      12.22249 
1 1 1 1   20 36 o 59.73139 7.108922 183.3264       40.74902 164.5000       56.72559 203.4000       58.57449 54.83356 10.95237 61.59323 10.06273 -6.759666      14.87323 
1 1 1 1   20 37 o 26.04239 10.00970 26.91923       35.89113 84.09000       51.24680 -28.12000      50.28239 38.92397 12.13890 22.09898 10.15640 16.82498       15.82736 
1 1 1 1   20 38 o 41.71210 9.280791 94.48035       36.91528 101.5000       52.22343 87.47000       52.18877 42.28237 12.04022 39.43819 12.24215 2.844181       17.17082 
1 1 1 1   20 39 o 76.16049 6.100105 295.6632       45.09514 317.2000       63.60804 273.9000       63.94159 77.48258 8.527737 71.41151 9.373745 6.071075       12.67239 
1 1 1 1   20 40 o 42.71931 9.563822 101.2190       38.99291 153.6000       54.67746 47.01000       55.62332 51.95543 11.08932 31.86417 12.40297 20.09126       16.63751 
1 1 1 1   20 41 o 78.28810 6.158341 315.3635       46.81202 358.2000       66.91297 274.3000       65.51360 81.74044 8.486459 70.48286 9.757432 11.25758       12.93165 
1 1 1 1   20 42 o 36.55805 10.18007 76.82343       37.76923 16.35000       51.56843 146.8000       55.47252 26.50390 11.29714 49.78584 11.59936 -23.28193      16.19168 
1 1 1 1   20 43 o 72.64507 6.051040 273.0540       42.63676 301.7000       59.11701 242.0000       61.55164 74.74647 8.215345 65.53518 9.903990 9.211288       12.86782 
1 1 1 1   20 44 o 34.78885 11.72432 71.88000       47.28165 71.88000       47.28165 0.000000       0.000000 34.78885 11.72432 ?        ?        ?              ?        
1 1 1 1   20 45 o 61.97192 6.636403 202.4336       39.63018 226.1000       55.01134 176.9000       57.14035 63.66167 9.085572 54.61533 11.06817 9.046337       14.31964 
1 1 1 1   20 46 o 29.26169 11.58712 42.30000       49.26631 0.000000       0.000000 42.30000       49.26631 ?        ?        29.26169 11.58712 ?              ?        
1 1 1 1   20 47 o 49.83675 7.719045 136.0715       36.43818 138.3000       49.34864 133.4000       54.03195 47.93533 10.77979 46.07256 11.89858 1.862766       16.05553 
1 1 1 1   20 48 o 20.39559 9.412879 -17.92000      43.83280 -17.92000      43.83280 0.000000       0.000000 20.39559 9.412879 ?        ?        ?              ?        
1 1 1 1   20 49 o 34.52533 9.128288 70.08883       31.31352 47.27000       42.07484 98.42000       46.88221 28.99869 10.90983 39.26658 11.47773 -10.26789      15.83549 
1 1 1 1   20 50 o 41.47012 8.194405 97.60461       32.08285 125.1000       44.60015 68.12000       46.18535 45.38849 10.27849 32.92844 11.56805 12.46004       15.47472 
1 1 1 1   20 51 o 24.78685 9.211448 32.07625       29.80779 38.38000       41.04280 25.04000       43.36190 27.13720 10.62769 25.25662 10.53874 1.880583       14.96705 
1 1 1 1   20 52 o 28.57810 9.436259 47.95059       30.65522 65.02000       42.22133 28.92000       44.58090 32.22924 11.07546 25.93085 10.74155 6.298389       15.42876 
1 1 1 1   20 53 o 47.34964 7.195213 123.4288       32.29969 92.14000       43.31979 162.6000       48.47025 37.98674 11.01284 52.12385 9.861291 -14.13710      14.78268 
1 1 1 1   20 54 o 29.22680 10.47705 51.24000       38.05375 51.24000       38.05375 0.000000       0.000000 29.22680 10.47705 ?        ?        ?              ?        
1 1 1 1   20 55 o 30.31474 11.31086 56.51000       45.03012 0.000000       0.000000 56.51000       45.03012 ?        ?        30.31474 11.31086 ?              ?        
1 1 1 1   20 56 o 18.51560 7.989093 5.144764       26.38054 0.000000       0.000000 5.144764       26.38054 ?        ?        18.51560 7.989093 ?              ?        
1 1 1 1   20 57 o 18.51073 7.999883 5.550525       26.53592 0.000000       0.000000 5.550525       26.53592 ?        ?        18.51073 7.999883 ?              ?        
1 1 1 1   21 0  o 222.2866 4.567589 2422.574       99.38171 2415.933       140.5751 2429.210       140.5188 221.6873 6.485277 222.2993 6.464748 -0.6119843     9.157062 
1 1 1 1   21 1  o 160.7153 4.286950 1267.015       67.37888 1240.955       81.80182 1322.000       118.8238 158.9601 5.264632 163.7995 7.430481 -4.839386      9.106503 
1 1 1 1   21 2  o 217.3060 5.191819 2316.488       110.4326 2030.000       177.5974 2497.090       141.0083 202.7640 8.970481 225.3925 6.397915 -22.62849      11.01830 
1 1 1 1   21 3  o 110.1626 3.737854 595.3495       40.24695 601.9000       70.38979 592.1678       49.05699 110.5008 6.537064 109.8027 4.574395 0.6980972      7.978615 
1 1 1 1   21 4  o 288.6434 6.534350 4092.972       184.6164 4282.887       233.3240 3775.000       301.9078 294.8590 8.091882 275.9803 11.19936 18.87872       13.81681 
1 1 1 1   21 5  o 211.8779 6.261086 2206.733       129.7075 2206.733       129.7075 0.000000       0.000000 211.8779 6.261086 ?        ?        ?              ?        
1 1 1 1   21 6  o 194.9061 4.813844 1863.142       91.83827 1914.328       113.8941 1768.000       155.2787 197.3731 5.901945 189.2731 8.402349 8.100082       10.26803 
1 1 1 1   21 7  o 266.6498 5.285116 3488.870       137.9437 3399.624       191.9964 3584.092       198.3211 262.7732 7.472175 269.8042 7.516877 -7.030975      10.59891 
1 1 1 1   21 8  o 249.7588 5.006730 3060.257       122.3999 3271.758       180.6453 2880.739       166.4269 257.8245 7.165022 241.9401 7.035110 15.88435       10.04143 
1 1 1 1   21 9  o 249.0342 4.991359 3042.650       121.6702 3104.127       174.2751 2984.192       169.9419 251.1270 7.096946 246.2316 7.058279 4.895462       10.00929 
1 1 1 1   21 10 o 207.6711 4.331219 2114.680       88.04253 2145.946       125.5186 2084.398       123.5272 208.9130 6.144812 205.8940 6.136172 3.018951       8.683969 
1 1 1 1   21 11 o 128.0730 4.943934 805.9764       61.86146 751.0000       84.33805 870.0000       91.01345 123.3669 7.013120 132.8086 7.026208 -9.441719      9.927308 
1 1 1 1   21 12 o 100.4441 4.119202 495.4833       40.41302 0.000000       0.000000 495.4833       40.41302 ?        ?        100.4441 4.119202 ?              ?        
1 1 1 1   21 13 o 155.5336 4.891191 1188.168       74.37122 0.000000       0.000000 1188.168       74.37122 ?        ?        155.5336 4.891191 ?              ?        
1 1 1 1   21 14 o 203.4709 4.858691 2031.544       96.76711 2393.000       190.6818 1906.167       112.3026 219.9816 8.873781 196.8925 5.833560 23.08913       10.61953 
1 1 1 1   21 15 o 117.4675 3.055606 676.5129       35.10364 798.7000       83.90213 650.5858       38.64896 127.2329 6.761289 115.1660 3.432354 12.06685       7.582617 
1 1 1 1   21 16 o 164.9757 5.518190 1338.465       88.98383 1273.000       122.3411 1412.000       129.6621 160.4959 7.811028 169.0409 7.857872 -8.544968      11.07963 
1 1 1 1   21 17 o 251.8982 10.40255 3154.000       255.9385 0.000000       0.000000 3154.000       255.9385 ?        ?        251.8982 10.40255 ?              ?        
1 1 1 1   21 18 o 121.2748 5.109630 723.6519       60.51905 714.7000       86.08395 732.4000       85.09830 120.1794 7.353087 121.6953 7.175842 -1.515854      10.27427 
1 1 1 1   21 19 o 168.2891 5.619892 1393.901       92.44440 1438.000       133.2674 1353.000       128.3438 170.4449 8.010329 165.3327 7.954004 5.112137       11.28856 
1 1 1 1   21 20 o 138.8204 5.259090 948.6050       71.33194 855.0000       97.17025 1058.000       105.0467 131.3657 7.589233 146.2256 7.362962 -14.85997      10.57401 
1 1 1 1   21 21 o 54.55377 7.340850 149.5547       38.20529 185.5000       55.73803 117.7000       52.47075 60.34608 9.769917 47.58682 11.41219 12.75926       15.02296 
1 1 1 1   21 22 o 123.7379 5.189082 754.4123       62.70968 740.5000       88.56521 768.4000       88.80503 122.1563 7.442295 124.4716 7.321212 -2.315346      10.43973 
1 1 1 1   21 23 o 77.97566 5.744634 301.1967       43.53794 262.5000       61.41171 340.3000       61.73345 72.13213 8.885515 82.52842 7.732102 -10.39629      11.77870 
1 1 1 1   21 24 o 95.86790 5.274343 454.0834       49.30275 424.5000       68.59447 485.7000       70.91254 92.19204 7.670760 98.72240 7.392068 -6.530357      10.65285 
1 1 1 1   21 25 o 104.5717 5.167313 540.2178       52.72759 574.4000       74.22704 505.4000       74.91386 107.4022 7.100457 100.5693 7.667909 6.832832       10.45052 
1 1 1 1   21 26 o 220.9542 6.700331 2423.681       144.7447 2464.000       205.5216 2384.000       203.8880 221.2056 9.514187 217.5238 9.599518 3.681732       13.51556 
1 1 1 1   21 27 o 73.09414 5.961700 266.3468       42.28378 265.2000       57.47223 267.7000       62.43178 72.33566 8.265256 72.45506 8.996159 -0.1194000     12.21660 
1 1 1 1   21 28 o 141.0438 5.390885 985.8746       74.28824 959.0000       103.0098 1015.000       107.2365 138.2405 7.642409 142.1885 7.734104 -3.948013      10.87303 
1 1 1 1   21 29 o 132.8196 5.335142 875.3571       69.21969 886.1000       97.41187 864.4000       98.37814 132.7413 7.528069 131.0176 7.705204 1.723633       10.77228 
1 1 1 1   21 30 o 154.8877 7.874597 1212.000       118.9937 1212.000       118.9937 0.000000       0.000000 154.8877 7.874597 ?        ?        ?              ?        
1 1 1 1   21 31 o 95.85497 7.441860 465.8000       69.27701 465.8000       69.27701 0.000000       0.000000 95.85497 7.441860 ?        ?        ?              ?        
1 1 1 1   21 32 o 124.6039 5.258060 773.5985       63.98615 795.2000       90.38891 751.9000       90.59158 125.2540 7.405594 121.6468 7.646872 3.607239       10.64507 
1 1 1 1   21 33 o 75.98627 8.750689 299.7000       63.89831 0.000000       0.000000 299.7000       63.89831 ?        ?        75.98627 8.750689 ?              ?        
1 1 1 1   21 34 o 74.33169 6.003627 278.8400       43.30976 250.5000       59.06394 311.8000       63.69658 69.17707 8.930952 77.48154 8.540185 -8.304474      12.35705 
1 1 1 1   21 35 o 51.90770 7.715568 140.2267       38.01134 115.6000       51.78319 169.0000       55.97332 45.54539 11.58892 55.73248 10.64858 -10.18708      15.73834 
1 1 1 1   21 36 o 116.9975 5.274093 686.0813       60.24383 725.6000       85.60164 647.3000       84.79930 119.0009 7.385353 112.1017 7.776319 6.899170       10.72448 
1 1 1 1   21 37 o 98.78928 5.358030 490.7317       51.61699 511.5000       73.20747 470.2000       72.78922 99.56630 7.568374 95.23794 7.878626 4.328362       10.92488 
1 1 1 1   21 38 o 43.99198 8.990229 105.0219       37.40371 146.0000       53.11829 64.72000       52.67813 51.00192 10.96640 34.84732 12.34457 16.15461       16.51213 
1 1 1 1   21 39 o 73.25074 6.173833 274.9752       43.85461 240.5000       60.78546 312.4000       63.33247 66.40424 9.632733 76.56039 8.599664 -10.15616      12.91293 
1 1 1 1   21 40 o 56.16258 7.709051 167.7005       41.26227 108.0000       55.82364 239.6000       61.26213 42.35980 12.56266 65.80708 9.810007 -23.44728      15.93915 
1 1 1 1   21 41 o 47.61771 8.790098 125.0039       39.46128 123.2000       55.12341 126.9000       56.51601 45.07916 12.19845 45.65649 12.35025 -0.5773239     17.35888 
1 1 1 1   21 42 o 65.51273 6.534466 224.3389       41.34436 226.5000       57.34758 222.0000       59.66051 63.71377 9.484183 62.59094 10.08028 1.122833       13.84058 
1 1 1 1   21 43 o 56.43179 9.923134 181.4000       52.81239 181.4000       52.81239 0.000000       0.000000 56.43179 9.923134 ?        ?        ?              ?        
1 1 1 1   21 44 o 31.27518 9.938695 56.01753       34.19916 47.97000       47.04023 65.04000       49.80821 30.19827 11.49585 33.38154 11.98403 -3.183273      16.60637 
1 1 1 1   21 45 o 19.36514 9.144561 -35.57000      45.42238 0.000000       0.000000 -35.57000      45.42238 ?        ?        19.36514 9.144561 ?              ?        
1 1 1 1   21 46 o 63.12704 6.256488 209.7625       38.15110 213.6000       52.30509 205.4000       55.76893 61.58724 8.937319 59.51217 9.922910 2.075073       13.35439 
1 1 1 1   21 47 o 41.63416 8.834961 99.34333       34.88898 65.00000       46.20465 144.9000       53.21578 32.70380 11.56347 48.27869 11.43777 -15.57489      16.26458 
1 1 1 1   21 48 o 16.64784 7.695687 -16.12462      29.47166 12.44000       39.62236 -51.50000      44.09372 22.93983 9.843117 17.58600 8.491784 5.353828       12.99990 
1 1 1 1   21 49 o 73.23478 7.752240 296.3000       54.72862 296.3000       54.72862 0.000000       0.000000 73.23478 7.752240 ?        ?        ?              ?        
1 1 1 1   21 50 o 20.46583 8.581021 11.26304       28.95745 6.311000       39.02525 17.33000       43.19560 21.91174 9.582502 24.17716 10.32340 -2.265417      14.08534 
1 1 1 1   21 51 o 33.02147 9.228988 65.00148       30.98050 56.30000       42.67216 74.70000       45.05062 30.49506 11.07299 34.12012 11.44398 -3.625061      15.92406 
1 1 1 1   21 52 o 23.94932 9.128387 28.66503       29.68361 53.20000       40.56001 0.3689000      43.55808 29.78388 10.79823 21.98279 9.840494 7.801086       14.60948 
1 1 1 1   21 53 o 20.38767 9.103721 -0.9879000     37.03300 -0.9879000     37.03300 0.000000       0.000000 20.38767 9.103721 ?        ?        ?              ?        
1 1 1 1   21 54 o 20.77112 9.444368 -6.625000      41.97753 0.000000       0.000000 -6.625000      41.97753 ?        ?        20.77112 9.444368 ?              ?        
1 1 1 1   21 55 o 25.71358 8.855411 37.93683       26.99603 0.000000       0.000000 37.93683       26.99603 ?        ?        25.71358 8.855411 ?              ?        
1 1 1 1   21 56 o 26.85661 8.934430 42.90939       27.46742 0.000000       0.000000 42.90939       27.46742 ?        ?        26.85661 8.934430 ?              ?        
1 1 1 1   21 57 o 49.50181 6.535593 134.9035       30.89447 0.000000       0.000000 134.9035       30.89447 ?        ?        49.50181 6.535593 ?              ?        
1 1 1 1   22 0  f 69.09053 3.603310 234.5520       24.28415 230.7136       34.86031 238.1706       33.84800 68.36748 5.249413 69.49568 5.009485 -1.128204      7.256120 
1 1 1 1   22 1  o 201.7197 4.270422 1995.024       84.31895 1820.041       113.2392 2212.770       126.3204 192.4079 6.020081 212.1612 6.089071 -19.75331      8.562602 
1 1 1 1   22 2  o 223.3588 4.592513 2446.710       100.4060 2571.615       146.5834 2336.305       137.8131 228.6508 6.556234 217.9449 6.467230 10.70593       9.209195 
1 1 1 1   22 3  o 109.6966 3.776017 590.4542       40.48419 558.5000       69.62507 606.7761       49.76086 106.3787 6.720950 111.1371 4.584119 -4.758423      8.135435 
1 1 1 1   22 4  o 339.5174 7.567129 5673.744       251.4777 5844.000       444.9725 5593.845       304.8266 342.3057 13.30579 336.5193 9.262962 5.786377       16.21255 
1 1 1 1   22 5  o 158.9012 5.212703 1240.458       80.96702 0.000000       0.000000 1240.458       80.96702 ?        ?        158.9012 5.212703 ?              ?        
1 1 1 1   22 6  o 191.0031 5.832997 1793.357       108.9254 1793.357       108.9254 0.000000       0.000000 191.0031 5.832997 ?        ?        ?              ?        
1 1 1 1   22 7  o 125.5340 3.922147 773.2382       48.13468 715.1802       56.44587 928.0000       92.15806 120.6463 4.789342 137.1933 6.884688 -16.54704      8.386700 
1 1 1 1   22 8  f 177.1465 3.911108 1538.307       67.81699 1653.031       99.60428 1439.163       92.59433 183.3996 5.554875 171.1158 5.535540 12.28381       7.842120 
1 1 1 1   22 9  o 216.5425 4.488049 2299.883       95.12769 2359.165       136.6957 2244.214       132.4657 218.9809 6.384199 213.5819 6.343286 5.398987       8.999737 
1 1 1 1   22 10 o 117.2699 4.373683 675.4036       50.11623 723.2000       72.69011 632.1000       69.18950 121.1537 6.149716 113.2302 6.267135 7.923553       8.780433 
1 1 1 1   22 11 f 160.5133 4.289794 1264.461       67.33861 1362.000       122.8265 1222.546       80.51776 166.1157 7.573895 157.7222 5.222664 8.393539       9.200006 
1 1 1 1   22 12 o 96.30558 3.567584 455.2105       33.57226 482.6000       66.10005 445.6888       38.97335 98.79561 6.878262 95.23987 4.190902 3.555740       8.054449 
1 1 1 1   22 13 o 114.0675 3.584174 638.4086       39.96852 791.9000       82.85556 591.8596       45.62836 126.6855 6.705605 109.7676 4.254786 16.91792       7.941557 
1 1 1 1   22 14 o 206.4205 5.972708 2096.477       120.5517 0.000000       0.000000 2096.477       120.5517 ?        ?        206.4205 5.972708 ?              ?        
1 1 1 1   22 15 o 129.2507 4.231494 820.4197       53.46223 0.000000       0.000000 820.4197       53.46223 ?        ?        129.2507 4.231494 ?              ?        
1 1 1 1   22 16 o 129.1673 7.442702 825.5000       93.70155 0.000000       0.000000 825.5000       93.70155 ?        ?        129.1673 7.442702 ?              ?        
1 1 1 1   22 17 o 185.7044 5.928148 1698.118       107.6194 1511.000       143.0669 1942.000       163.3322 174.6215 8.394779 198.0001 8.446935 -23.37860      11.90895 
1 1 1 1   22 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   22 19 o 191.0482 6.033094 1799.103       112.6794 1904.000       164.3220 1706.000       154.8086 195.8373 8.593152 185.3671 8.555177 10.47026       12.12573 
1 1 1 1   22 20 o 192.1306 6.074865 1820.665       114.1020 2022.000       170.9775 1659.000       153.2098 201.6886 8.680991 182.6838 8.592091 19.00487       12.21408 
1 1 1 1   22 21 f 57.01446 7.330928 163.3662       39.96626 214.2000       57.45217 115.7000       55.63334 64.97015 9.298986 47.05256 12.03321 17.91759       15.20754 
1 1 1 1   22 22 o 96.65549 5.359726 461.5723       50.50932 487.1000       71.54027 436.2000       71.32216 98.87708 7.446495 93.43919 7.871229 5.437881       10.83543 
1 1 1 1   22 23 o 98.24586 5.224413 476.9590       50.06033 505.9000       70.30786 447.2000       71.29446 100.7733 7.174675 94.56889 7.770440 6.204369       10.57619 
1 1 1 1   22 24 o 200.7524 6.266603 1996.139       122.9892 2071.000       176.1939 1925.000       171.7569 203.2801 8.876424 195.9165 8.980358 7.363632       12.62687 
1 1 1 1   22 25 o 132.6255 5.235980 869.7028       67.83863 883.5000       94.29487 854.9000       97.67078 133.0530 7.267907 130.7333 7.666240 2.319733       10.56379 
1 1 1 1   22 26 o 79.67434 5.633140 315.7485       43.64818 304.5000       59.55782 328.8000       64.15379 77.61936 7.951291 80.59169 8.248777 -2.972328      11.45711 
1 1 1 1   22 27 f 70.68974 6.037728 249.8762       41.37733 207.6000       56.36107 299.3000       60.93952 63.41245 9.361399 76.75369 8.240235 -13.34125      12.47146 
1 1 1 1   22 28 o 110.8147 5.208398 609.5753       56.33662 590.6000       76.94597 631.5000       82.70995 108.3410 7.298409 111.9200 7.594936 -3.578979      10.53327 
1 1 1 1   22 29 o 109.4829 7.254621 604.5000       77.30557 604.5000       77.30557 0.000000       0.000000 109.4829 7.254621 ?        ?        ?              ?        
1 1 1 1   22 30 o 157.9520 5.603515 1244.097       86.49742 1292.000       122.8476 1197.000       121.8106 159.5282 7.891750 153.3592 8.143836 6.169052       11.34027 
1 1 1 1   22 31 o 97.13005 5.322921 470.9763       50.41346 464.1000       70.19806 478.3000       72.44588 95.46641 7.574259 96.85924 7.704736 -1.392830      10.80428 
1 1 1 1   22 32 o 131.8492 7.709549 886.6000       99.06352 0.000000       0.000000 886.6000       99.06352 ?        ?        131.8492 7.709549 ?              ?        
1 1 1 1   22 33 o 73.78948 5.908417 274.6435       42.31853 240.5000       57.46531 315.1000       62.55269 67.76598 8.876587 77.98000 8.323691 -10.21401      12.16872 
1 1 1 1   22 34 o 51.58116 7.655583 138.4431       37.48139 121.3000       50.92895 158.7000       55.36140 46.76526 11.26124 53.82785 10.88197 -7.062588      15.65990 
1 1 1 1   22 35 o 41.65916 9.002760 93.47475       35.63778 65.04000       47.84853 128.9000       53.40727 34.97440 11.79441 47.96349 11.52067 -12.98909      16.48738 
1 1 1 1   22 36 o 89.77595 5.378354 405.6756       47.04569 366.1000       63.44991 454.0000       70.11331 83.99392 7.806873 93.65811 7.716408 -9.664192      10.97680 
1 1 1 1   22 37 o 57.40947 6.865417 170.6282       37.81554 104.5000       49.83372 260.4000       58.06308 42.74064 11.61225 70.05535 8.651048 -27.31471      14.48050 
1 1 1 1   22 38 o 73.92846 6.081510 279.7276       43.61898 289.9000       61.30786 269.3000       62.07235 73.66959 8.667681 70.61427 9.198940 3.055313       12.63919 
1 1 1 1   22 39 o 36.56646 10.19577 76.07243       37.85897 88.70000       52.89605 62.81000       54.20944 38.71181 12.36701 33.98482 12.45872 4.726986       17.55456 
1 1 1 1   22 40 o 79.41788 5.925590 324.5278       45.73140 322.1000       63.75976 327.1000       65.62865 77.11321 8.593000 77.53443 8.803190 -0.4212189     12.30186 
1 1 1 1   22 41 o 50.44889 7.816390 137.4626       37.35035 86.11000       49.84806 203.2000       56.39927 37.76891 11.99863 59.92930 9.964282 -22.16039      15.59661 
1 1 1 1   22 42 o 29.76616 11.31004 45.64000       45.47877 45.64000       45.47877 0.000000       0.000000 29.76616 11.31004 ?        ?        ?              ?        
1 1 1 1   22 43 o 32.27284 9.958422 60.16684       34.59320 52.91000       48.36186 67.77000       49.50243 31.13614 11.70028 33.86021 11.96933 -2.724075      16.73803 
1 1 1 1   22 44 o 33.63810 11.99518 67.69000       49.81339 0.000000       0.000000 67.69000       49.81339 ?        ?        33.63810 11.99518 ?              ?        
1 1 1 1   22 45 o 34.40103 9.568630 69.36121       33.38888 22.47000       44.84282 127.7000       50.01795 25.56841 10.69652 45.58802 11.27302 -20.01961      15.54016 
1 1 1 1   22 46 o 42.27841 8.528506 101.2751       34.07476 140.8000       46.57885 55.77000       49.97855 48.81047 10.08305 31.17894 11.85412 17.63153       15.56240 
1 1 1 1   22 47 f 35.70040 9.054535 74.76121       31.68267 78.13000       42.78242 70.67000       47.14700 35.26813 11.10464 33.50355 11.69384 1.764580       16.12635 
1 1 1 1   22 48 o 27.54254 9.242639 43.56946       29.38553 16.82000       37.87716 84.01000       46.57236 23.18197 9.772513 36.04567 11.61308 -12.86369      15.17780 
1 1 1 1   22 49 o 55.08465 6.448248 162.5198       34.11069 217.1000       47.26639 103.2000       49.27594 62.47736 7.905715 39.73868 11.80734 22.73868       14.20963 
1 1 1 1   22 50 o 21.70802 9.651965 1.944000       41.17059 1.944000       41.17059 0.000000       0.000000 21.70802 9.651965 ?        ?        ?              ?        
1 1 1 1   22 51 o 25.99348 9.309052 37.62563       30.03440 29.80000       40.84331 46.84000       44.31941 25.54128 10.39731 28.71687 11.10053 -3.175583      15.20940 
1 1 1 1   22 52 o 46.81962 10.15918 133.9000       45.21729 133.9000       45.21729 0.000000       0.000000 46.81962 10.15918 ?        ?        ?              ?        
1 1 1 1   22 53 o 29.93868 11.22680 54.77000       44.47728 0.000000       0.000000 54.77000       44.47728 ?        ?        29.93868 11.22680 ?              ?        
1 1 1 1   22 54 o 30.31345 11.25789 57.66000       44.50972 0.000000       0.000000 57.66000       44.50972 ?        ?        30.31345 11.25789 ?              ?        
1 1 1 1   22 55 o 25.04089 8.779061 35.82119       26.59076 0.000000       0.000000 35.82119       26.59076 ?        ?        25.04089 8.779061 ?              ?        
1 1 1 1   22 56 o 32.55554 8.696321 64.39632       28.23699 0.000000       0.000000 64.39632       28.23699 ?        ?        32.55554 8.696321 ?              ?        
1 1 1 1   23 0  o 131.4098 3.442354 846.8102       44.24002 832.6113       62.87909 860.7287       62.25523 130.1661 4.944158 132.3627 4.813131 -2.196609      6.900067 
1 1 1 1   23 1  o 374.8767 7.177046 6916.335       263.3543 6650.057       362.5256 7213.871       383.2134 366.4503 10.11656 381.6125 10.26849 -15.16211      14.41481 
1 1 1 1   23 2  o 138.3523 3.481434 938.6325       47.10919 929.1395       66.67194 948.0974       66.57310 137.5122 4.961445 138.9161 4.903676 -1.403915      6.975813 
1 1 1 1   23 3  o 182.7961 3.997957 1638.207       71.53378 1763.590       105.7476 1532.429       97.12907 189.4055 5.710422 176.5563 5.627491 12.84918       8.017329 
1 1 1 1   23 4  o 246.7392 5.754399 2990.436       138.9774 2827.000       232.8971 3080.819       173.1936 238.8290 9.984577 250.1078 7.081672 -11.27881      12.24099 
1 1 1 1   23 5  o 135.2753 3.998134 897.9730       52.88167 776.1000       87.41586 968.3156       66.41188 125.3701 7.153131 140.3939 4.839953 -15.02386      8.636691 
1 1 1 1   23 6  f 220.0717 4.547500 2375.838       97.95872 2527.942       143.9822 2244.758       133.6619 226.6409 6.496997 213.5764 6.400862 13.06447       9.120418 
1 1 1 1   23 7  o 392.2031 10.70273 7632.282       410.4927 8683.000       632.8220 6869.000       539.3629 415.2072 15.59852 369.6742 14.93657 45.53299       21.59664 
1 1 1 1   23 8  o 184.3082 5.702765 1670.381       102.7575 1670.381       102.7575 0.000000       0.000000 184.3082 5.702765 ?        ?        ?              ?        
1 1 1 1   23 9  o 145.3925 3.530013 1036.115       50.23708 1013.400       70.37123 1059.723       71.74047 143.5943 5.014398 146.8453 4.998406 -3.250977      7.080131 
1 1 1 1   23 10 o 227.5830 5.415852 2544.011       120.6460 2456.000       205.5020 2590.299       149.0322 222.6012 9.453055 229.3414 6.645841 -6.740112      11.55541 
1 1 1 1   23 11 o 209.3656 5.042249 2152.259       103.3322 2202.000       184.0443 2129.361       124.8715 210.8584 8.937398 207.9973 6.140095 2.861160       10.84333 
1 1 1 1   23 12 o 72.31561 4.326094 257.4884       30.48207 0.000000       0.000000 257.4884       30.48207 ?        ?        72.31561 4.326094 ?              ?        
1 1 1 1   23 13 o 107.0090 5.062467 563.6615       52.87564 496.3000       71.12234 646.9000       79.06099 100.0697 7.311470 114.3542 7.098233 -14.28455      10.19031 
1 1 1 1   23 14 o 137.3864 3.820940 926.4072       51.33318 0.000000       0.000000 926.4072       51.33318 ?        ?        137.3864 3.820940 ?              ?        
1 1 1 1   23 15 o 90.18661 3.626049 399.5004       31.94446 0.000000       0.000000 399.5004       31.94446 ?        ?        90.18661 3.626049 ?              ?        
1 1 1 1   23 16 o 247.5697 7.202201 3027.428       174.3441 3125.000       251.3819 2937.000       242.0048 250.3483 10.28036 242.7197 10.20901 7.628555       14.48825 
1 1 1 1   23 17 o 102.4870 5.137268 517.6795       51.37128 520.4000       72.26377 514.9000       73.04242 102.4029 7.256449 101.8340 7.377872 0.5689316      10.34838 
1 1 1 1   23 18 o 73.26170 5.818168 265.9639       41.37999 244.9000       56.68221 290.0000       60.54929 69.78483 8.471407 76.06609 8.264974 -6.281265      11.83531 
1 1 1 1   23 19 o 182.6520 5.897758 1645.937       105.3048 1679.000       150.2298 1614.000       147.6506 183.7375 8.375205 180.1311 8.397247 3.606415       11.85993 
1 1 1 1   23 20 o 146.3451 5.374489 1056.324       76.85699 1108.000       109.9803 1007.000       107.4484 149.3333 7.548535 142.2905 7.743863 7.042801       10.81424 
1 1 1 1   23 21 o 67.77990 6.167942 228.7805       40.47335 249.9000       56.54931 206.6000       57.95242 70.37914 8.372685 63.58531 9.610883 6.793831       12.74641 
1 1 1 1   23 22 o 83.24837 5.468975 343.3808       44.31757 383.1000       61.86053 301.5000       63.52149 87.55360 7.284196 77.28225 8.539461 10.27135       11.22417 
1 1 1 1   23 23 o 78.41335 5.682903 305.4552       43.32209 283.5000       58.41027 332.3000       64.58781 74.95062 8.089747 81.16509 8.243966 -6.214470      11.55019 
1 1 1 1   23 24 o 86.90151 5.464395 374.8380       46.24571 431.0000       64.68025 316.1000       66.14703 92.75731 7.179748 78.89855 8.709953 13.85876       11.28769 
1 1 1 1   23 25 o 97.35314 5.281736 470.1490       50.14220 452.6000       67.97228 491.1000       74.26890 94.91106 7.374416 98.75851 7.744833 -3.847450      10.69413 
1 1 1 1   23 26 o 73.39846 5.874542 269.1889       41.85326 308.5000       58.23814 227.2000       60.18895 78.05143 7.724086 66.25317 9.557184 11.79826       12.28826 
1 1 1 1   23 27 o 76.87570 5.701941 295.1776       42.60054 314.2000       58.18587 273.2000       62.54228 78.71249 7.648414 72.87333 8.956100 5.839157       11.77752 
1 1 1 1   23 28 o 43.42106 11.18124 101.9000       47.80770 101.9000       47.80770 0.000000       0.000000 43.42106 11.18124 ?        ?        ?              ?        
1 1 1 1   23 29 o 89.91594 5.383146 403.7225       47.16133 375.1000       63.92871 437.9000       69.85728 85.77016 7.696453 92.68382 7.771692 -6.913666      10.93776 
1 1 1 1   23 30 o 35.57973 12.33623 64.18000       52.42471 0.000000       0.000000 64.18000       52.42471 ?        ?        35.57973 12.33623 ?              ?        
1 1 1 1   23 31 o 82.34351 8.241071 350.0000       65.53155 0.000000       0.000000 350.0000       65.53155 ?        ?        82.34351 8.241071 ?              ?        
1 1 1 1   23 32 o 69.93061 6.012841 247.2373       40.75869 198.9000       54.47729 308.7000       61.42999 61.26501 9.382713 77.16721 8.261233 -15.90220      12.50133 
1 1 1 1   23 33 o 119.5097 5.208219 714.7435       60.77914 725.1000       85.17703 704.0000       86.75403 119.0950 7.342424 117.1620 7.605891 1.932953       10.57170 
1 1 1 1   23 34 o 61.79136 6.479165 195.1897       38.60590 171.8000       52.38248 223.0000       57.11842 56.40514 9.845697 64.73447 9.279359 -8.329334      13.52938 
1 1 1 1   23 35 o 81.39286 5.542153 334.3835       43.89071 424.2000       62.55595 247.3000       61.59684 90.87402 7.088756 67.92990 9.525233 22.94411       11.87352 
1 1 1 1   23 36 o 68.61320 6.093189 240.4009       40.49704 178.1000       53.52693 323.8000       61.93068 57.02723 9.950991 78.47478 8.182562 -21.44756      12.88319 
1 1 1 1   23 37 o 48.36307 7.942652 124.7939       36.29571 124.7000       49.83460 124.9000       52.96838 46.67188 11.07594 46.36649 11.67885 0.3053818      16.09571 
1 1 1 1   23 38 o 60.61149 6.790193 191.7425       39.59334 206.6000       55.03255 175.8000       57.00648 61.23940 9.487468 55.44575 10.89262 5.793648       14.44511 
1 1 1 1   23 39 o 63.60695 6.633213 211.4341       40.69236 179.7000       54.65651 250.9000       60.95226 56.17927 10.31956 67.22743 9.529439 -11.04816      14.04647 
1 1 1 1   23 40 o 30.63321 9.965755 52.61185       34.24682 59.64000       46.23688 44.07000       50.97347 32.52901 11.56109 30.17280 11.83572 2.356218       16.54519 
1 1 1 1   23 41 o 77.42797 7.879555 322.7000       58.88694 322.7000       58.88694 0.000000       0.000000 77.42797 7.879555 ?        ?        ?              ?        
1 1 1 1   23 42 o 43.48135 8.498209 105.3472       34.87190 105.3000       47.99089 105.4000       50.75799 41.55811 11.43824 41.26310 11.90838 0.2950096      16.51190 
1 1 1 1   23 43 o 45.99385 11.68149 130.6000       52.68175 0.000000       0.000000 130.6000       52.68175 ?        ?        45.99385 11.68149 ?              ?        
1 1 1 1   23 44 o 53.82629 7.097428 155.9190       36.48366 149.1000       49.54039 164.0000       53.93002 50.12890 10.43611 52.22734 10.90208 -2.098438      15.09198 
1 1 1 1   23 45 o 41.78028 8.551641 98.98827       33.79360 121.3000       45.43410 71.36000       50.55825 44.86042 10.52884 33.94357 12.08663 10.91685       16.02945 
1 1 1 1   23 46 o 65.52927 5.949252 225.9464       37.74414 191.8000       49.45137 273.6000       58.41893 57.84243 9.029094 69.46391 8.788245 -11.62148      12.59991 
1 1 1 1   23 47 o 56.11393 6.226450 167.6620       33.62434 120.6000       43.17542 240.2000       53.60240 44.62691 10.11809 65.02390 8.635055 -20.39699      13.30188 
1 1 1 1   23 48 o 48.97906 7.012393 130.9117       32.66079 143.1000       43.22865 114.7000       49.85560 49.45816 9.270017 42.00170 11.69608 7.456459       14.92419 
1 1 1 1   23 49 o 30.45224 9.413788 55.46329       30.89620 50.37000       42.34753 61.26000       45.17726 29.27923 10.95983 31.37790 11.39340 -2.098671      15.80910 
1 1 1 1   23 50 o 43.14598 8.035184 105.7729       32.68623 74.18000       44.25324 143.7000       48.48692 33.90136 11.34185 48.14902 10.57766 -14.24766      15.50885 
1 1 1 1   23 51 o 26.72018 10.58404 37.01000       41.11769 37.01000       41.11769 0.000000       0.000000 26.72018 10.58404 ?        ?        ?              ?        
1 1 1 1   23 52 o 24.31574 10.40094 19.79000       43.98688 0.000000       0.000000 19.79000       43.98688 ?        ?        24.31574 10.40094 ?              ?        
1 1 1 1   23 53 o 39.73794 8.126128 90.96009       30.54057 100.3000       40.18598 78.19000       46.98943 40.05413 10.21839 34.24940 11.68659 5.804729       15.52391 
1 1 1 1   23 54 o 25.04033 10.53418 26.95000       43.86734 0.000000       0.000000 26.95000       43.86734 ?        ?        25.04033 10.53418 ?              ?        
1 1 1 1   23 55 o 26.82790 8.781547 43.17126       26.57137 0.000000       0.000000 43.17126       26.57137 ?        ?        26.82790 8.781547 ?              ?        
1 1 1 1   24 0  o 170.8369 3.861307 1430.937       64.56873 1458.164       92.72059 1405.301       89.96947 172.2076 5.507780 169.0631 5.443855 3.144424       7.744108 
1 1 1 1   24 1  o 448.3593 8.506176 9924.595       373.3076 10174.37       537.5745 9691.960       518.7993 451.7662 12.16786 441.0096 12.02959 10.75659       17.11046 
1 1 1 1   24 2  o 203.5851 4.318020 2033.061       86.04722 1972.718       119.8484 2097.258       123.6174 200.2204 6.122495 206.4491 6.124074 -6.228714      8.659632 
1 1 1 1   24 3  o 334.3802 6.468206 5500.120       211.7047 5610.578       303.6984 5395.708       295.2709 336.7153 9.223222 330.2313 9.143540 6.484039       12.98738 
1 1 1 1   24 4  o 311.2722 6.074012 4763.548       185.0641 5263.818       279.7543 4374.268       246.7771 326.2947 8.767064 297.5248 8.482404 28.76987       12.19888 
1 1 1 1   24 5  o 167.3811 4.403630 1375.436       72.08521 1553.000       134.3566 1303.663       85.42050 177.3011 7.760583 162.8284 5.366852 14.47278       9.435557 
1 1 1 1   24 6  o 128.0044 3.960118 804.2802       49.55832 736.0000       85.02129 839.4179       60.99118 122.0285 7.149354 130.6871 4.775943 -8.658585      8.597842 
1 1 1 1   24 7  o 85.49239 3.385628 358.8045       28.27569 312.2239       39.85167 406.0273       40.12547 79.57030 5.144260 90.85019 4.526453 -11.27989      6.852167 
1 1 1 1   24 8  o 77.14746 5.152886 293.6115       38.68845 226.9000       50.49980 388.4000       60.19597 67.37655 7.801263 88.52239 7.004217 -21.14584      10.48421 
1 1 1 1   24 9  o 232.1713 6.778790 2657.177       153.8869 2657.177       153.8869 0.000000       0.000000 232.1713 6.778790 ?        ?        ?              ?        
1 1 1 1   24 10 o 134.4112 4.696511 888.0328       61.69487 823.8000       85.18323 958.9000       89.47431 129.1477 6.762026 139.3949 6.576143 -10.24724      9.432425 
1 1 1 1   24 11 o 36.55766 5.580770 67.19046       19.33812 70.40000       47.66608 66.55811       21.15753 37.62488 11.70297 36.28059 6.179029 1.344296       13.23404 
1 1 1 1   24 12 o 125.0750 4.471654 768.9222       54.65697 0.000000       0.000000 768.9222       54.65697 ?        ?        125.0750 4.471654 ?              ?        
1 1 1 1   24 13 o 128.4780 3.782590 810.4185       47.51722 0.000000       0.000000 810.4185       47.51722 ?        ?        128.4780 3.782590 ?              ?        
1 1 1 1   24 14 o 50.08485 4.558726 124.2103       22.10424 41.71000       49.77460 144.4774       24.67036 32.28474 11.92064 54.02824 4.712064 -21.74350      12.81816 
1 1 1 1   24 15 o 93.40277 3.720372 428.7070       33.94553 0.000000       0.000000 428.7070       33.94553 ?        ?        93.40277 3.720372 ?              ?        
1 1 1 1   24 16 o 112.2312 3.860015 618.9505       42.34106 0.000000       0.000000 618.9505       42.34106 ?        ?        112.2312 3.860015 ?              ?        
1 1 1 1   24 17 o 90.41106 5.297395 403.7434       46.67487 406.7000       64.07040 400.4000       68.13326 90.37386 7.305041 89.54744 7.852598 0.8264160      10.72506 
1 1 1 1   24 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   24 19 o 70.73579 6.053611 248.8793       41.51154 236.9000       56.91015 262.5000       60.68374 68.41281 8.694719 72.04250 8.787125 -3.629692      12.36170 
1 1 1 1   24 20 o 134.3929 5.243340 891.8982       68.84246 946.5000       98.04472 838.8000       96.68539 137.8868 7.290231 129.6700 7.651557 8.216797       10.56853 
1 1 1 1   24 21 o 39.14170 9.338267 79.94769       35.27619 56.82000       47.09869 109.5000       53.24005 34.43001 11.70103 45.50264 11.84128 -11.07262      16.64723 
1 1 1 1   24 22 o 156.0637 5.507843 1205.665       84.00561 1255.000       119.2100 1157.000       118.3979 158.3751 7.713074 151.9301 7.989563 6.445068       11.10516 
1 1 1 1   24 23 o 120.5808 5.202683 720.1194       61.26165 689.2000       83.48125 756.2000       90.18012 117.2840 7.308146 122.7823 7.539951 -5.498222      10.50047 
1 1 1 1   24 24 o 86.97377 5.406797 376.0876       45.80170 382.9000       62.71278 368.3000       67.05144 87.16875 7.420504 85.23254 8.135640 1.936211       11.01147 
1 1 1 1   24 25 o 80.46737 5.605567 322.9024       43.87544 332.9000       59.62999 311.1000       64.78905 81.08984 7.601240 77.99346 8.630919 3.096382       11.50094 
1 1 1 1   24 26 o 34.30837 9.788592 62.01235       34.48418 24.34000       44.44396 119.0000       54.66278 27.69162 10.99261 46.80045 11.90599 -19.10883      16.20463 
1 1 1 1   24 27 o 159.4929 7.879325 1291.000       122.6282 1291.000       122.6282 0.000000       0.000000 159.4929 7.879325 ?        ?        ?              ?        
1 1 1 1   24 28 o 118.9347 5.191712 704.8173       60.29455 742.6000       84.80737 666.2000       85.73899 121.1152 7.185966 114.4124 7.700807 6.702888       10.53283 
1 1 1 1   24 29 o 86.29099 8.132394 382.9000       67.87946 0.000000       0.000000 382.9000       67.87946 ?        ?        86.29099 8.132394 ?              ?        
1 1 1 1   24 30 o 98.62753 5.425956 487.2178       52.18000 434.3000       71.61599 547.1000       76.18290 91.84544 8.047331 103.4339 7.577264 -11.58844      11.05326 
1 1 1 1   24 31 o 86.80021 5.446462 378.2561       46.04123 372.0000       63.05664 385.4000       67.38268 85.04797 7.656497 86.35191 8.065347 -1.303940      11.12078 
1 1 1 1   24 32 o 30.78724 9.807343 49.76814       33.28454 64.75000       44.86600 31.43000       49.63776 34.81598 11.41183 29.27774 11.61881 5.538240       16.28578 
1 1 1 1   24 33 o 56.10328 6.777121 162.0370       36.46361 105.3000       48.60134 235.1000       55.15232 43.29501 11.33681 66.78866 8.638498 -23.49364      14.25296 
1 1 1 1   24 34 o 56.47440 6.739025 164.4158       36.51822 115.0000       48.90431 226.7000       54.90392 45.21584 11.12661 65.36766 8.804606 -20.15182      14.18882 
1 1 1 1   24 35 o 64.11111 6.289664 210.8608       38.96255 156.9000       52.15630 279.0000       58.60922 53.13548 10.40052 72.60272 8.402103 -19.46724      13.37035 
1 1 1 1   24 36 o 66.27204 6.224415 225.8605       39.90443 233.6000       55.86860 217.8000       57.01567 65.82616 8.898565 63.12302 9.523943 2.703133       13.03418 
1 1 1 1   24 37 o 47.32286 8.307261 121.4848       37.07699 110.5000       51.29835 133.5000       53.65026 43.13902 11.80691 47.61015 11.61682 -4.471130      16.56362 
1 1 1 1   24 38 o 62.64288 6.494449 204.7353       39.24467 203.7000       53.93704 205.9000       57.20798 60.54027 9.407290 60.40042 10.02783 0.1398506      13.74970 
1 1 1 1   24 39 f 28.79108 9.836912 45.10364       33.29426 26.73000       43.14580 72.15000       52.34743 26.39030 10.70725 34.99382 12.31382 -8.603523      16.31795 
1 1 1 1   24 40 o 38.27160 11.31114 88.36000       45.31854 88.36000       45.31854 0.000000       0.000000 38.27160 11.31114 ?        ?        ?              ?        
1 1 1 1   24 41 o 37.18116 9.516759 79.88195       34.77729 77.44000       47.75250 82.64000       50.74923 35.69645 11.77689 36.62951 12.14301 -0.9330597     16.91591 
1 1 1 1   24 42 f 35.33533 12.14855 76.91000       50.80108 0.000000       0.000000 76.91000       50.80108 ?        ?        35.33533 12.14855 ?              ?        
1 1 1 1   24 43 f 30.13370 9.831395 52.43271       33.31732 33.83000       44.60504 75.91000       50.10947 27.25228 10.94716 34.94717 12.06351 -7.694887      16.29014 
1 1 1 1   24 44 o 78.86501 5.515875 322.2843       42.31149 376.3000       59.05305 265.3000       60.65405 83.56480 7.292580 68.15820 9.336641 15.40660       11.84713 
1 1 1 1   24 45 o 27.69160 9.508434 43.60454       31.11724 57.65000       40.98969 24.50000       47.80518 30.99518 10.89723 25.95834 10.96274 5.036833       15.45740 
1 1 1 1   24 46 o 51.11883 6.834157 141.6266       33.33980 182.9000       44.87546 90.78000       49.80867 56.96311 8.291589 37.12841 12.01395 19.83469       14.59744 
1 1 1 1   24 47 o 44.71943 7.520264 111.2232       31.75113 96.35000       41.67529 131.8000       49.01905 39.26575 10.59858 45.71094 11.07375 -6.445190      15.32834 
1 1 1 1   24 48 o 27.20981 9.381602 42.63899       30.30262 25.80000       40.74518 63.48000       45.32914 24.89492 10.28667 31.77879 11.42954 -6.883865      15.37693 
1 1 1 1   24 49 o 33.46438 9.284300 67.34794       31.47812 91.18000       42.92463 39.62000       46.30037 37.70110 10.97198 27.61090 11.13151 10.09020       15.62994 
1 1 1 1   24 50 o 29.13010 9.499724 50.68285       31.10898 28.27000       40.64569 82.38000       48.33660 25.19049 10.32721 35.18166 11.85439 -9.991175      15.72189 
1 1 1 1   24 51 o 23.93560 10.30739 17.32000       43.74511 0.000000       0.000000 17.32000       43.74511 ?        ?        23.93560 10.30739 ?              ?        
1 1 1 1   24 52 o 36.26805 10.65105 84.29000       40.29053 84.29000       40.29053 0.000000       0.000000 36.26805 10.65105 ?        ?        ?              ?        
1 1 1 1   24 53 o 29.33118 9.065504 52.05937       28.65394 42.53000       37.21724 65.93000       44.90144 27.07949 10.24462 31.66167 11.37698 -4.582182      15.30973 
1 1 1 1   24 54 o 20.81470 8.386316 18.28193       26.26161 0.000000       0.000000 18.28193       26.26161 ?        ?        20.81470 8.386316 ?              ?        
1 1 1 1   24 55 o 40.93275 7.643492 96.87082       29.49855 0.000000       0.000000 96.87082       29.49855 ?        ?        40.93275 7.643492 ?              ?        
1 1 1 1   25 0  o 115.1438 3.402747 650.4910       38.30890 622.4659       54.76202 677.3496       53.61028 112.4708 4.986715 117.3709 4.675749 -4.900139      6.835931 
1 1 1 1   25 1  o 178.0939 3.982862 1555.765       69.43055 1384.185       92.79667 1773.965       104.6473 167.7016 5.661244 189.8787 5.636719 -22.17709      7.988885 
1 1 1 1   25 2  o 221.1903 4.595155 2401.612       99.48842 2398.497       141.0531 2404.696       140.3453 220.6156 6.539125 220.9103 6.497524 -0.2947235     9.218350 
1 1 1 1   25 3  o 199.1931 4.269903 1946.927       83.25275 2005.480       120.1760 1892.896       115.4410 201.8061 6.090804 196.0681 6.022297 5.738022       8.565392 
1 1 1 1   25 4  o 110.6712 3.375359 600.9738       36.52186 620.0647       52.96329 583.6661       50.42926 112.2686 4.830899 108.9280 4.741093 3.340652       6.768718 
1 1 1 1   25 5  o 114.3895 4.019464 642.6786       44.93502 603.8710       53.60475 734.4000       82.40998 110.7732 4.956370 121.8812 6.936391 -11.10803      8.525206 
1 1 1 1   25 6  o 231.5462 5.503833 2635.555       124.7410 2435.000       207.5674 2748.937       156.0678 221.3669 9.602278 236.1151 6.759751 -14.74811      11.74300 
1 1 1 1   25 7  o 156.9148 4.297835 1209.273       65.94935 1255.000       118.1752 1188.591       79.47643 159.2706 7.602212 155.4350 5.231214 3.835602       9.228176 
1 1 1 1   25 8  f 107.6436 3.773081 569.0314       39.69341 579.1838       50.48819 552.6000       64.23065 108.4915 4.765946 105.7623 6.232103 2.729195       7.845594 
1 1 1 1   25 9  o 134.4129 4.934976 888.8701       64.81778 888.8701       64.81778 0.000000       0.000000 134.4129 4.934976 ?        ?        ?              ?        
1 1 1 1   25 10 o 304.1033 8.480791 4584.186       252.1967 0.000000       0.000000 4584.186       252.1967 ?        ?        304.1033 8.480791 ?              ?        
1 1 1 1   25 11 o 197.8674 4.854189 1924.002       94.01500 2003.000       170.6125 1889.554       112.6635 200.8011 8.701032 195.8134 5.884745 4.987686       10.50420 
1 1 1 1   25 12 o 190.8753 4.734266 1790.412       88.45221 0.000000       0.000000 1790.412       88.45221 ?        ?        190.8753 4.734266 ?              ?        
1 1 1 1   25 13 o 163.7841 3.743078 1316.412       60.00767 1326.000       124.5782 1313.516       68.47506 163.4631 7.808609 163.4803 4.282872 -0.1719666E-01 8.906030 
1 1 1 1   25 14 o 119.8649 3.242268 705.2005       38.00563 749.8000       84.14074 693.7687       42.59888 122.9601 7.020114 118.8408 3.666454 4.119370       7.919905 
1 1 1 1   25 15 o 118.7537 3.172604 692.2143       36.84513 769.6000       84.04623 673.8035       40.99441 124.5575 6.920748 117.1157 3.580252 7.441757       7.791980 
1 1 1 1   25 16 o 141.9584 4.030045 990.9070       55.94193 971.9000       101.2922 999.2489       67.10425 139.8079 7.428475 142.4122 4.820846 -2.604218      8.855665 
1 1 1 1   25 17 o 129.4734 5.194545 827.4656       65.69794 904.1000       95.31381 758.1000       90.68105 134.8126 7.249692 123.3297 7.547929 11.48293       10.46562 
1 1 1 1   25 18 o 122.8186 5.164142 745.0623       61.94389 726.8000       85.94912 764.8000       89.35383 120.7497 7.306103 123.8466 7.404750 -3.096901      10.40238 
1 1 1 1   25 19 o 103.5136 5.161079 530.0178       52.12813 446.7000       68.86754 641.8000       79.76857 94.43153 7.512483 113.3821 7.225141 -18.95061      10.42305 
1 1 1 1   25 20 o 105.3160 5.187840 549.0901       53.31488 622.4000       75.69043 476.9000       75.11017 111.6480 6.960644 97.36888 7.949976 14.27916       10.56658 
1 1 1 1   25 21 o 166.2280 5.665850 1370.174       92.05349 1294.000       124.5123 1462.000       136.7072 160.5258 7.949030 170.5050 8.215384 -9.979218      11.43152 
1 1 1 1   25 22 o 64.25256 6.323050 207.2397       39.25237 257.8000       53.69307 149.2000       57.52758 71.29310 7.822541 52.89466 11.44418 18.39844       13.86223 
1 1 1 1   25 23 o 94.97348 5.243085 448.2195       48.55198 415.5000       65.28891 488.7000       72.62052 90.74323 7.415136 98.38538 7.599760 -7.642159      10.61794 
1 1 1 1   25 24 o 135.7954 5.293077 916.1716       70.22097 980.2000       99.64362 853.0000       98.97467 139.5288 7.321531 129.8786 7.821635 9.650177       10.71367 
1 1 1 1   25 25 o 75.61465 7.818343 291.8000       57.03276 291.8000       57.03276 0.000000       0.000000 75.61465 7.818343 ?        ?        ?              ?        
1 1 1 1   25 26 o 73.20979 7.971304 275.0000       56.20079 275.0000       56.20079 0.000000       0.000000 73.20979 7.971304 ?        ?        ?              ?        
1 1 1 1   25 27 o 117.8112 5.206350 692.1683       59.88972 758.2000       84.97689 627.0000       84.41958 122.3342 7.127411 110.8176 7.833136 11.51653       10.59047 
1 1 1 1   25 28 o 88.15945 8.229813 400.7000       70.19687 0.000000       0.000000 400.7000       70.19687 ?        ?        88.15945 8.229813 ?              ?        
1 1 1 1   25 29 o 85.24906 5.529122 364.9497       45.88840 337.9000       61.63148 398.6000       68.74107 80.96614 7.876075 87.87801 8.081978 -6.911873      11.28499 
1 1 1 1   25 30 o 83.71829 5.535933 352.4906       45.11000 280.0000       59.66761 449.2000       68.91792 73.24100 8.479429 93.49006 7.596538 -20.24906      11.38456 
1 1 1 1   25 31 o 51.33064 7.485961 137.1590       36.50557 65.17000       48.00266 235.9000       56.21873 35.01279 11.81339 66.91054 8.796678 -31.89775      14.72881 
1 1 1 1   25 32 o 70.66373 5.766472 252.9481       39.53882 216.6000       52.64026 300.0000       59.89162 64.03426 8.616965 75.74364 8.209268 -11.70939      11.90144 
1 1 1 1   25 33 o 96.94617 5.129461 472.3662       48.50208 468.0000       66.27910 477.4000       71.16592 95.32964 7.155223 95.95770 7.639836 -0.6280670     10.46730 
1 1 1 1   25 34 o 48.81438 7.542712 125.7911       34.87924 163.1000       47.91586 83.74000       50.86997 54.78708 9.264969 38.21233 12.11879 16.57475       15.25466 
1 1 1 1   25 35 o 87.03706 5.475444 384.8016       46.41128 398.8000       64.22279 369.5000       67.14564 87.16924 7.602967 83.31949 8.345337 3.849747       11.28936 
1 1 1 1   25 36 o 39.79365 9.196060 88.58770       35.10093 119.7000       48.47729 54.30000       50.89106 45.31070 11.03450 32.14818 12.01852 13.16253       16.31579 
1 1 1 1   25 37 o 56.29056 6.914754 167.1750       37.29993 109.8000       49.79888 240.5000       56.29691 42.75905 11.60439 66.18539 8.916542 -23.42634      14.63443 
1 1 1 1   25 38 o 25.06480 9.609060 28.42967       33.01698 31.59000       42.68048 23.72000       52.10252 27.07601 10.76451 27.30394 11.48310 -0.2279224     15.73964 
1 1 1 1   25 39 o 82.26094 7.739845 363.5000       61.58836 363.5000       61.58836 0.000000       0.000000 82.26094 7.739845 ?        ?        ?              ?        
1 1 1 1   25 40 o 32.88145 9.803022 62.75275       33.92131 47.32000       45.53844 81.99000       50.84262 29.87119 11.32500 36.45109 12.15622 -6.579893      16.61412 
1 1 1 1   25 41 o 36.80507 11.99710 84.50000       49.61826 0.000000       0.000000 84.50000       49.61826 ?        ?        36.80507 11.99710 ?              ?        
1 1 1 1   25 42 o 62.33490 6.405658 205.3640       38.52861 158.1000       51.79822 263.9000       57.64489 51.42855 10.64087 68.64425 8.780010 -17.21570      13.79553 
1 1 1 1   25 43 o 29.81200 9.732390 51.58006       32.64721 54.25000       43.64944 48.19000       49.18490 30.60449 11.18598 29.84998 11.65046 0.7545109      16.15114 
1 1 1 1   25 44 o 18.29995 8.171837 -4.156407      29.84273 -32.51000      39.60484 33.09000       45.39275 17.90587 8.480310 26.87164 10.95276 -8.965771      13.85203 
1 1 1 1   25 45 o 29.37976 9.268986 50.76786       29.79323 22.72000       38.72089 91.47000       46.64489 24.22946 10.02133 37.56891 11.55858 -13.33946      15.29797 
1 1 1 1   25 46 o 37.47037 8.644979 81.80974       31.06212 91.23000       40.74018 68.73000       48.00547 38.17884 10.55078 32.78590 11.76577 5.392937       15.80356 
1 1 1 1   25 47 o 39.43003 8.488240 90.04743       31.79007 64.36000       42.57953 122.4000       47.78536 31.98473 11.11614 43.79927 11.12610 -11.81454      15.72764 
1 1 1 1   25 48 o 41.27491 8.292048 97.98785       32.33671 110.8000       44.03337 82.99000       47.64148 41.91116 10.69861 35.38366 11.76646 6.527496       15.90314 
1 1 1 1   25 49 o 24.09011 9.235590 29.29444       30.50079 77.43000       40.98881 -30.43000      45.65710 34.76371 10.85847 19.35101 9.146994 15.41270       14.19767 
1 1 1 1   25 50 o 50.62973 10.57426 159.8000       50.71040 0.000000       0.000000 159.8000       50.71040 ?        ?        50.62973 10.57426 ?              ?        
1 1 1 1   25 51 o 25.69935 9.203919 37.35658       29.36001 27.78000       39.18111 49.62000       44.33811 24.76757 10.14501 28.88676 11.11960 -4.119188      15.05213 
1 1 1 1   25 52 o 27.02004 9.248318 43.29905       29.43197 42.05000       39.26930 44.90000       44.45816 27.09237 10.45527 27.88175 11.01774 -0.7893772     15.18891 
1 1 1 1   25 53 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   25 54 o 34.58939 8.430299 71.97068       28.27833 0.000000       0.000000 71.97068       28.27833 ?        ?        34.58939 8.430299 ?              ?        
1 1 1 1   26 0  o 146.8654 3.617841 1057.919       52.00862 1083.350       75.19598 1034.596       72.01000 148.3624 5.186005 144.9979 5.081557 3.364548       7.260638 
1 1 1 1   26 1  o 170.3263 3.888345 1423.392       64.82654 1611.606       98.51402 1279.646       86.09334 180.9164 5.569695 161.2101 5.463855 19.70630       7.802257 
1 1 1 1   26 2  o 106.5211 3.433924 556.9904       35.75731 558.7265       51.81631 555.4121       49.40663 106.5116 4.983898 106.2233 4.763934 0.2883301      6.894513 
1 1 1 1   26 3  o 327.0734 6.364654 5271.320       203.7634 5225.181       287.0237 5318.200       289.3199 324.3981 9.048106 327.2791 9.040032 -2.881073      12.79025 
1 1 1 1   26 4  o 137.3798 3.562943 926.3007       47.87088 853.3925       66.53143 1004.564       68.93166 131.6489 5.173087 142.8876 4.935949 -11.23872      7.150134 
1 1 1 1   26 5  o 121.8107 3.445886 728.2558       41.04458 658.5125       57.10769 802.7776       59.03171 115.6312 5.057839 127.7399 4.729368 -12.10862      6.924497 
1 1 1 1   26 6  o 187.7757 4.112871 1730.819       75.59460 1867.502       112.0196 1616.524       102.4359 194.6581 5.885921 181.1153 5.785600 13.54286       8.253317 
1 1 1 1   26 7  o 267.2849 7.587578 3535.722       198.3098 3741.000       292.9114 3362.000       269.4589 273.2987 10.97176 259.2398 10.64165 14.05890       15.28477 
1 1 1 1   26 8  o 230.6130 6.726655 2627.056       151.6788 2756.000       223.5204 2517.000       206.5014 235.0324 9.736991 224.7360 9.408181 10.29637       13.53968 
1 1 1 1   26 9  o 97.04097 3.331855 462.4134       31.60114 435.4692       44.53864 489.7288       44.84446 93.98900 4.857690 99.72170 4.606678 -5.732704      6.694672 
1 1 1 1   26 10 o 65.83144 5.393186 214.7555       34.44803 0.000000       0.000000 214.7555       34.44803 ?        ?        65.83144 5.393186 ?              ?        
1 1 1 1   26 11 o 220.7575 5.294137 2399.364       114.3976 0.000000       0.000000 2399.364       114.3976 ?        ?        220.7575 5.294137 ?              ?        
1 1 1 1   26 12 o 109.4061 3.693141 588.2811       39.49304 0.000000       0.000000 588.2811       39.49304 ?        ?        109.4061 3.693141 ?              ?        
1 1 1 1   26 13 o 42.53538 5.440041 90.59990       22.13176 0.000000       0.000000 90.59990       22.13176 ?        ?        42.53538 5.440041 ?              ?        
1 1 1 1   26 14 o 116.1667 3.230605 662.7397       36.69864 736.0000       82.40611 644.6157       40.98748 121.6833 6.947535 114.5095 3.661525 7.173828       7.853343 
1 1 1 1   26 15 o 55.76256 3.352114 153.1978       18.21201 103.5000       48.96191 161.1779       19.61978 44.37943 11.25615 57.18231 3.522404 -12.80288      11.79441 
1 1 1 1   26 16 o 67.86022 3.380791 226.6991       22.38567 0.000000       0.000000 226.6991       22.38567 ?        ?        67.86022 3.380791 ?              ?        
1 1 1 1   26 17 o 40.40911 9.031179 85.11243       34.82167 82.37000       47.39235 88.33000       51.33405 39.70462 11.52124 41.07003 12.01184 -1.365410      16.64402 
1 1 1 1   26 18 o 113.3618 5.119974 636.0322       56.66544 641.3000       78.83031 630.4000       81.51097 113.2371 7.148593 112.1578 7.467254 1.079262       10.33742 
1 1 1 1   26 19 o 68.77512 6.012429 236.4212       40.06848 217.6000       54.04147 259.4000       59.71280 65.21957 8.680672 71.27794 8.741457 -6.058365      12.31938 
1 1 1 1   26 20 o 66.45552 6.191596 221.4001       39.81199 231.9000       53.71377 208.6000       59.30599 67.40481 8.317436 63.34558 9.887663 4.059231       12.92074 
1 1 1 1   26 21 o 92.59886 5.327427 426.4062       48.08308 428.9000       65.54322 423.5000       70.75495 92.22905 7.320296 91.38882 7.989929 0.8402252      10.83631 
1 1 1 1   26 22 o 81.45174 5.574972 331.0857       44.17970 320.9000       59.39614 343.7000       66.09907 79.48104 7.732257 82.03863 8.347480 -2.557587      11.37841 
1 1 1 1   26 23 f 100.0548 5.271523 498.5558       51.44525 551.6000       71.49451 441.6000       74.08369 104.5722 7.025506 92.99683 8.223226 11.57537       10.81569 
1 1 1 1   26 24 o 78.63307 7.695004 315.8000       58.46977 315.8000       58.46977 0.000000       0.000000 78.63307 7.695004 ?        ?        ?              ?        
1 1 1 1   26 25 o 60.68361 6.585739 187.0654       38.49203 159.4000       49.85424 227.9000       60.56860 54.83046 9.640879 65.76272 9.700306 -10.93225      13.67635 
1 1 1 1   26 26 o 54.64709 7.166892 153.4156       37.41271 148.1000       49.64846 160.4000       56.91115 52.55888 10.01615 54.26344 11.08967 -1.704563      14.94336 
1 1 1 1   26 27 o 88.83278 8.203668 407.6000       70.52709 0.000000       0.000000 407.6000       70.52709 ?        ?        88.83278 8.203668 ?              ?        
1 1 1 1   26 28 o 118.5075 5.232065 702.8177       60.54151 706.0000       83.55191 699.3000       87.84671 117.5659 7.296499 116.7057 7.733635 0.8601608      10.63240 
1 1 1 1   26 29 o 114.3902 5.245324 655.5919       58.57469 602.2000       78.13412 724.1000       88.50633 108.3807 7.409737 118.7051 7.658122 -10.32436      10.65603 
1 1 1 1   26 30 o 94.38802 5.243352 447.3990       48.25275 411.4000       65.03002 491.5000       71.97694 89.31622 7.507795 97.61652 7.592596 -8.300301      10.67776 
1 1 1 1   26 31 o 81.56623 5.395121 335.4511       42.83221 343.5000       58.72169 326.3000       62.61319 81.48576 7.444392 78.94315 8.223397 2.542610       11.09249 
1 1 1 1   26 32 o 92.60046 5.176723 431.7817       46.73497 410.7000       62.56212 458.4000       70.29880 89.12749 7.233347 93.84639 7.721097 -4.718903      10.58001 
1 1 1 1   26 33 o 63.34882 6.142689 205.9924       37.61183 153.6000       49.33590 278.7000       58.11914 52.67584 9.932700 72.43782 8.349442 -19.76198      12.97581 
1 1 1 1   26 34 o 85.37578 5.473761 370.7366       45.50224 365.4000       62.15446 376.9000       66.79567 83.23838 7.716397 84.15253 8.213573 -0.9141464     11.26967 
1 1 1 1   26 35 o 93.37915 5.363788 444.1020       48.81988 466.1000       67.45154 419.9000       70.74998 94.06010 7.385417 88.47170 8.265547 5.588402       11.08439 
1 1 1 1   26 36 o 86.36565 5.473959 381.6075       46.03714 401.6000       63.06546 358.8000       67.35914 87.01368 7.476962 81.22387 8.603035 5.789810       11.39812 
1 1 1 1   26 37 o 58.39836 8.892717 189.0000       49.22992 189.0000       49.22992 0.000000       0.000000 58.39836 8.892717 ?        ?        ?              ?        
1 1 1 1   26 38 o 28.48590 9.860641 44.44510       33.48915 89.50000       43.50629 -21.07000      52.46283 38.57887 10.99077 22.32638 10.30180 16.25250       15.06400 
1 1 1 1   26 39 o 67.74518 9.277343 258.2000       59.90453 0.000000       0.000000 258.2000       59.90453 ?        ?        67.74518 9.277343 ?              ?        
1 1 1 1   26 40 o 23.80410 9.701956 20.81734       35.61483 29.16000       52.81473 13.86000       48.23078 27.68298 11.59668 25.01898 10.79879 2.663994       15.84603 
1 1 1 1   26 41 o 65.40956 6.206049 225.1613       39.25867 265.4000       54.07100 180.3000       57.09244 69.41816 8.110312 54.54911 11.07136 14.86905       13.72415 
1 1 1 1   26 42 o 29.90030 9.671302 52.04651       32.27969 45.44000       42.44400 61.11000       49.71389 28.85263 10.93469 32.00051 11.89530 -3.147881      16.15752 
1 1 1 1   26 43 o 51.58540 7.108689 144.9526       34.94077 153.5000       46.90901 134.3000       52.36786 50.96536 9.758445 45.83097 11.65017 5.134392       15.19716 
1 1 1 1   26 44 o 61.59911 6.031067 201.0059       35.89879 186.5000       47.30695 220.7000       55.12143 57.05630 8.749297 61.39735 9.476699 -4.341042      12.89799 
1 1 1 1   26 45 o 63.44210 5.982212 213.3230       36.71030 238.2000       49.20757 182.1000       55.12778 65.34460 7.850373 54.26264 10.75938 11.08197       13.31888 
1 1 1 1   26 46 o 38.42027 8.727437 86.41227       32.07127 96.26000       43.57280 74.77000       47.37687 38.77954 10.98292 33.84336 11.72766 4.936176       16.06743 
1 1 1 1   26 47 o 39.56765 10.92827 100.3000       43.72166 100.3000       43.72166 0.000000       0.000000 39.56765 10.92827 ?        ?        ?              ?        
1 1 1 1   26 48 o 34.49838 9.145654 71.48344       31.37924 101.7000       42.61061 35.68000       46.38287 40.01801 10.67969 26.91609 11.03303 13.10192       15.35525 
1 1 1 1   26 49 o 31.10772 11.43757 61.35000       45.74091 0.000000       0.000000 61.35000       45.74091 ?        ?        31.10772 11.43757 ?              ?        
1 1 1 1   26 50 o 15.98118 7.426848 -16.21636      28.00278 -26.26000      36.93481 -2.638000      42.94513 17.49914 8.258140 21.27701 9.625877 -3.777868      12.68284 
1 1 1 1   26 51 o 20.95000 8.571181 16.82857       27.92624 22.09000       36.82125 9.704000       42.84757 23.36759 9.727894 22.59008 9.954611 0.7775135      13.91856 
1 1 1 1   26 52 o 26.59108 9.043299 42.22057       28.13348 38.06000       36.20703 48.56000       44.69325 25.94969 10.03263 28.25000 11.08230 -2.300303      14.94895 
1 1 1 1   26 53 o 30.30519 8.844805 56.64135       27.85882 0.000000       0.000000 56.64135       27.85882 ?        ?        30.30519 8.844805 ?              ?        
1 1 1 1   27 0  o 146.6030 3.626356 1054.640       52.03788 1045.945       74.23756 1063.039       72.96429 145.7018 5.213788 146.9134 5.081559 -1.211670      7.280510 
1 1 1 1   27 1  o 290.7576 5.745315 4164.924       163.5126 4066.140       227.9964 4269.539       234.6296 286.2274 8.146151 293.2870 8.181037 -7.059540      11.54509 
1 1 1 1   27 2  o 70.89243 3.858619 247.4303       26.67459 199.9488       38.84338 289.8055       36.69532 63.35067 6.349615 76.60844 4.919596 -13.25778      8.032436 
1 1 1 1   27 3  o 183.1943 4.064336 1648.033       72.87990 1740.832       106.9048 1567.457       99.61626 187.8608 5.820750 178.2766 5.715987 9.584198       8.158041 
1 1 1 1   27 4  o 246.2278 5.014953 2982.757       120.8677 3283.331       182.0249 2745.708       161.6490 257.5170 7.228504 235.5527 7.018806 21.96429       10.07546 
1 1 1 1   27 5  o 210.8705 4.463860 2185.468       92.13670 2124.505       128.5808 2249.805       132.0921 207.3692 6.342146 213.4058 6.330598 -6.036560      8.960987 
1 1 1 1   27 6  o 154.8533 4.268667 1179.140       64.64048 1221.909       81.79528 1108.000       105.4912 157.4365 5.315449 149.4446 7.233051 7.991852       8.976136 
1 1 1 1   27 7  o 119.9485 3.459247 706.6325       40.57224 664.1631       56.91305 750.5179       57.85413 116.0567 5.021857 123.4232 4.797993 -7.366425      6.945487 
1 1 1 1   27 8  o 70.00677 4.368381 241.8577       29.78496 340.6000       58.37113 207.0969       34.63308 82.59898 7.294559 64.58733 5.531400 18.01164       9.154615 
1 1 1 1   27 9  o 118.0984 4.731166 687.4383       54.58066 0.000000       0.000000 687.4383       54.58066 ?        ?        118.0984 4.731166 ?              ?        
1 1 1 1   27 10 o 106.1344 3.733510 553.9584       38.72601 0.000000       0.000000 553.9584       38.72601 ?        ?        106.1344 3.733510 ?              ?        
1 1 1 1   27 11 o 146.4497 5.308084 1059.026       75.96497 918.3000       100.9199 1243.000       115.3897 135.7108 7.627947 158.0053 7.482118 -22.29456      10.68493 
1 1 1 1   27 12 o 35.90008 6.128078 65.47726       20.76174 0.000000       0.000000 65.47726       20.76174 ?        ?        35.90008 6.128078 ?              ?        
1 1 1 1   27 13 o 37.48764 5.935978 71.16103       21.05678 0.000000       0.000000 71.16103       21.05678 ?        ?        37.48764 5.935978 ?              ?        
1 1 1 1   27 14 o 104.1368 4.087987 534.4487       41.58872 0.000000       0.000000 534.4487       41.58872 ?        ?        104.1368 4.087987 ?              ?        
1 1 1 1   27 15 o 53.81287 3.640013 143.0224       19.06041 149.8000       49.35646 141.8344       20.66339 53.68552 9.751554 53.54167 3.971057 0.1438484      10.52911 
1 1 1 1   27 16 o 49.98009 3.173329 123.2085       15.44436 174.8000       48.38172 117.3547       16.29700 58.34270 8.740841 48.73999 3.438045 9.602703       9.392681 
1 1 1 1   27 17 o 82.61699 5.416247 339.4050       43.55845 328.5000       58.86752 352.6000       64.75433 80.67882 7.541748 83.44611 8.026772 -2.767288      11.01395 
1 1 1 1   27 18 o 127.9814 5.187114 812.2929       64.84521 890.2000       92.84558 738.1000       90.60541 133.2149 7.146523 121.0333 7.687645 12.18159       10.49632 
1 1 1 1   27 19 o 165.6669 5.671315 1364.912       91.83005 1423.000       130.5365 1308.000       129.2083 167.8737 7.966805 160.7615 8.238590 7.112259       11.46056 
1 1 1 1   27 20 f 152.3969 5.494415 1155.234       81.82619 1161.000       113.5289 1149.000       118.0425 151.6268 7.674298 150.6163 8.035912 1.010513       11.11174 
1 1 1 1   27 21 o 116.0932 5.237417 670.7554       59.36226 647.1000       80.02380 699.7000       88.51941 113.1607 7.263006 117.4373 7.743845 -4.276642      10.61689 
1 1 1 1   27 22 o 82.83247 5.634553 343.6111       45.41227 373.1000       61.32264 307.8000       67.57727 85.64820 7.386810 76.95611 9.150162 8.692093       11.75970 
1 1 1 1   27 23 o 43.29542 11.28369 102.6000       48.29633 102.6000       48.29633 0.000000       0.000000 43.29542 11.28369 ?        ?        ?              ?        
1 1 1 1   27 24 o 93.03728 5.365980 433.0981       48.65930 376.7000       63.97612 510.5000       74.94832 85.75014 7.704175 99.90343 7.724302 -14.15330      10.90959 
1 1 1 1   27 25 o 77.52679 8.813589 313.6000       65.69640 0.000000       0.000000 313.6000       65.69640 ?        ?        77.52679 8.813589 ?              ?        
1 1 1 1   27 26 o 75.30941 8.962812 297.5000       64.77457 0.000000       0.000000 297.5000       64.77457 ?        ?        75.30941 8.962812 ?              ?        
1 1 1 1   27 27 o 61.91582 6.533731 195.8271       39.00120 186.0000       51.87846 208.6000       59.14527 59.11659 9.269988 62.25729 10.04763 -3.140697      13.67068 
1 1 1 1   27 28 o 27.89809 9.871036 37.64976       33.67406 33.56000       44.89505 42.91000       50.91579 28.77098 11.15849 31.21883 11.94159 -2.447851      16.34361 
1 1 1 1   27 29 o 65.68875 6.128668 219.8789       38.95132 214.6000       52.95885 226.1000       57.49079 63.63851 8.731816 65.02828 9.296349 -1.389774      12.75409 
1 1 1 1   27 30 o 28.81646 9.745502 42.68775       32.66850 -2.172000      43.34184 101.7000       49.71071 22.99318 10.07589 42.23716 11.64776 -19.24398      15.40110 
1 1 1 1   27 31 o 57.95728 6.544706 173.4798       36.47956 186.1000       49.36729 158.3000       54.14253 58.85311 8.842820 53.07702 10.78952 5.776085       13.95024 
1 1 1 1   27 32 o 25.04214 9.503587 27.32710       32.08751 -8.791000      42.61959 74.59000       48.75364 21.79060 9.745676 36.14918 11.89847 -14.35858      15.38024 
1 1 1 1   27 33 o 48.06809 7.881069 124.1247       35.79682 138.0000       48.29020 107.2000       53.33336 49.26997 10.34318 42.27699 12.20850 6.992981       16.00090 
1 1 1 1   27 34 f 59.77784 6.627876 187.2027       38.13026 185.2000       51.65752 189.6000       56.51838 57.57604 9.496943 57.57618 10.41176 -0.1411438E-03 14.09243 
1 1 1 1   27 35 o 58.03205 6.695548 177.1861       37.33646 210.9000       50.48896 136.5000       55.46450 62.10225 8.531034 47.36001 11.96293 14.74224       14.69320 
1 1 1 1   27 36 o 73.40932 7.780713 290.1000       55.05815 290.1000       55.05815 0.000000       0.000000 73.40932 7.780713 ?        ?        ?              ?        
1 1 1 1   27 37 o 90.29126 5.359065 418.2856       47.15013 425.9000       64.08614 409.3000       69.61747 89.28828 7.399070 86.58657 8.316264 2.701706       11.13133 
1 1 1 1   27 38 o 47.14977 11.45798 136.0000       52.35443 0.000000       0.000000 136.0000       52.35443 ?        ?        47.14977 11.45798 ?              ?        
1 1 1 1   27 39 o 59.81297 6.903229 191.2622       39.67537 103.5000       53.78789 296.0000       58.76012 40.07134 12.42658 73.19933 8.350218 -33.12799      14.97151 
1 1 1 1   27 40 o 53.42868 7.198628 154.6044       36.69003 143.3000       49.73681 168.1000       54.34378 48.68473 10.72700 52.69763 10.89553 -4.012897      15.28990 
1 1 1 1   27 41 o 45.29123 8.158163 115.0193       34.83701 114.0000       45.92990 116.4000       53.45611 42.98699 10.90155 42.27721 12.22675 0.7097740      16.38100 
1 1 1 1   27 42 o 46.98541 7.722937 122.8766       34.28531 112.5000       45.22484 136.9000       52.57442 42.46510 10.84365 46.23416 11.62967 -3.769058      15.90075 
1 1 1 1   27 43 o 41.05182 8.163647 96.04642       31.64856 59.95000       41.31647 147.3000       49.23266 31.20476 10.94296 48.89435 10.59370 -17.68959      15.23072 
1 1 1 1   27 44 o 30.14592 9.294748 54.26482       30.14309 40.73000       38.84877 74.74000       47.78206 27.22876 10.42708 33.82006 11.77438 -6.591303      15.72768 
1 1 1 1   27 45 o 20.32407 8.605358 10.34307       29.58110 23.12000       39.34084 -6.278000      44.87041 24.21759 10.06629 21.45200 9.758027 2.765591       14.01960 
1 1 1 1   27 46 o 25.60376 10.42124 30.79000       41.02442 30.79000       41.02442 0.000000       0.000000 25.60376 10.42124 ?        ?        ?              ?        
1 1 1 1   27 47 o 45.15954 7.715604 115.0226       32.88162 104.6000       44.54599 127.5000       48.73975 40.25922 10.99582 44.40304 11.21334 -4.143818      15.70500 
1 1 1 1   27 48 o 38.37835 11.74261 99.16000       48.22540 0.000000       0.000000 99.16000       48.22540 ?        ?        38.37835 11.74261 ?              ?        
1 1 1 1   27 49 o 37.08953 8.671908 81.58286       30.91644 31.32000       40.65627 150.5000       47.60665 25.44016 10.36699 49.25164 10.21060 -23.81148      14.55097 
1 1 1 1   27 50 o 17.31870 7.811445 -5.344843      28.03174 1.730000       36.85910 -15.05000      43.17055 20.43955 9.107521 19.94729 9.253313 0.4922562      12.98348 
1 1 1 1   27 51 o 23.72312 8.941269 30.37211       28.28919 36.00000       36.52095 21.93000       44.72958 25.57083 10.02193 24.24925 10.43238 1.321581       14.46629 
1 1 1 1   27 52 o 17.76917 8.518915 -35.91000      42.55869 0.000000       0.000000 -35.91000      42.55869 ?        ?        17.76917 8.518915 ?              ?        
1 1 1 1   28 0  o 138.3628 3.541700 940.5663       47.92699 942.5099       68.72874 938.7266       66.86758 138.2235 5.088527 137.9728 4.959330 0.2507477      7.105495 
1 1 1 1   28 1  o 179.3523 4.011635 1580.818       70.42625 1478.276       96.76769 1696.298       102.6916 172.9775 5.723119 185.3239 5.667717 -12.34634      8.054632 
1 1 1 1   28 2  o 162.1388 3.801973 1291.433       60.33957 1168.067       81.94398 1437.552       89.18068 153.8035 5.451701 170.6736 5.344829 -16.87015      7.634674 
1 1 1 1   28 3  o 91.45157 3.460491 411.1820       30.92081 354.2932       43.91898 467.0952       43.54074 84.60468 5.330461 97.31958 4.583650 -12.71490      7.030196 
1 1 1 1   28 4  o 245.8910 5.789262 2985.528       139.3388 3155.800       177.3620 2711.000       225.2078 252.1010 7.194892 232.1295 9.934648 19.97150       12.26636 
1 1 1 1   28 5  o 134.5217 4.067453 890.4333       53.49607 880.4915       66.67403 908.4000       89.63058 133.5606 5.109447 135.2286 6.793203 -1.667984      8.500238 
1 1 1 1   28 6  o 77.62090 3.601462 296.5652       27.28842 315.7853       40.51499 280.6060       36.91855 79.85918 5.211512 75.28972 5.038600 4.569458       7.248955 
1 1 1 1   28 7  f 137.0802 4.089325 924.8666       54.80836 851.7000       94.72658 961.6874       67.19884 130.6872 7.435814 139.6089 4.925195 -8.921722      8.919018 
1 1 1 1   28 8  o 117.9004 3.837982 684.0114       44.23290 596.1000       72.47330 736.1995       55.83945 109.4082 6.801031 122.1619 4.678454 -12.75375      8.254814 
1 1 1 1   28 9  o 134.3093 4.080327 888.2452       53.58009 871.0000       95.93339 896.0635       64.59360 132.0662 7.451387 134.7179 4.906637 -2.651733      8.921785 
1 1 1 1   28 10 o 123.5534 3.396052 750.4979       41.03204 768.4000       86.71754 745.3336       46.57589 124.0623 7.171594 123.0440 3.872001 1.018341       8.150102 
1 1 1 1   28 11 o 100.8851 5.083743 503.7820       50.03974 533.4000       71.15409 474.8000       70.38592 103.2801 7.081297 97.30379 7.446670 5.976334       10.27607 
1 1 1 1   28 12 o 65.83305 6.079832 216.7229       38.73557 177.7000       53.47595 259.8000       56.18515 58.57278 9.664047 71.56285 8.167019 -12.99007      12.65283 
1 1 1 1   28 13 o 58.54640 3.647762 169.2620       20.80031 247.3000       54.37069 155.8825       22.51290 69.76947 8.112586 56.10320 4.128478 13.66628       9.102657 
1 1 1 1   28 14 o 56.82857 4.275213 160.1148       23.60667 0.000000       0.000000 160.1148       23.60667 ?        ?        56.82857 4.275213 ?              ?        
1 1 1 1   28 15 o 150.6597 3.598602 1117.152       53.06853 1113.000       111.1860 1118.377       60.39141 148.7312 7.663174 150.5616 4.101658 -1.830383      8.691826 
1 1 1 1   28 16 o 73.81942 3.254532 268.5184       23.45831 0.000000       0.000000 268.5184       23.45831 ?        ?        73.81942 3.254532 ?              ?        
1 1 1 1   28 17 o 57.77645 2.982110 164.5127       16.80771 155.0000       48.56558 165.8071       17.91477 54.41283 9.461786 57.97807 3.168806 -3.565247      9.978312 
1 1 1 1   28 18 o 130.1322 5.235673 842.0443       66.55428 954.7000       95.64751 736.3000       92.66714 137.6723 7.121964 120.4586 7.902908 17.21367       10.63853 
1 1 1 1   28 19 o 56.72683 7.036864 164.1405       38.23545 167.0000       50.22775 160.2000       58.96268 56.36186 9.437800 54.36682 11.44263 1.995041       14.83260 
1 1 1 1   28 20 o 70.81084 6.056633 252.5804       41.57680 262.8000       54.86885 238.8000       63.71469 71.51582 7.973700 67.24769 9.982023 4.268127       12.77578 
1 1 1 1   28 21 o 58.18859 9.144959 178.0000       50.37030 178.0000       50.37030 0.000000       0.000000 58.18859 9.144959 ?        ?        ?              ?        
1 1 1 1   28 22 o 60.17729 9.085673 190.5000       51.85193 190.5000       51.85193 0.000000       0.000000 60.17729 9.085673 ?        ?        ?              ?        
1 1 1 1   28 23 o 74.29460 5.818499 278.2405       41.97573 306.9000       57.12297 244.6000       61.88828 77.25537 7.654512 67.97534 9.565688 9.280029       12.25128 
1 1 1 1   28 24 o 89.26666 8.114336 412.1000       70.12640 0.000000       0.000000 412.1000       70.12640 ?        ?        89.26666 8.114336 ?              ?        
1 1 1 1   28 25 o 59.37723 7.031750 181.4735       40.07628 142.7000       54.47936 227.2000       59.16270 50.67797 11.27364 65.28697 9.539580 -14.60900      14.76816 
1 1 1 1   28 26 o 50.73500 7.647015 134.4848       36.79690 122.5000       48.98909 150.0000       55.73932 46.99210 10.86721 51.89876 11.29392 -4.906666      15.67319 
1 1 1 1   28 27 o 91.06274 5.359777 417.3873       47.56297 437.4000       66.02626 395.8000       68.57449 92.10574 7.385431 87.12303 8.135302 4.982704       10.98762 
1 1 1 1   28 28 o 75.11018 5.657165 285.7300       41.28573 291.9000       55.85662 278.3000       61.29532 74.85349 7.734821 72.42618 8.828413 2.427307       11.73748 
1 1 1 1   28 29 o 65.15588 6.095954 217.0724       38.42643 245.1000       52.15772 183.8000       56.82861 68.28702 7.951824 57.59880 10.46504 10.68822       13.14339 
1 1 1 1   28 30 o 42.37584 8.502966 97.48035       34.04162 57.02000       45.12803 150.9000       51.85396 32.61774 11.43673 51.76386 10.59135 -19.14612      15.58767 
1 1 1 1   28 31 o 51.17858 7.385066 138.7225       35.92654 135.7000       48.49286 142.4000       53.48943 48.86030 10.45539 49.53824 11.28415 -0.6779404     15.38335 
1 1 1 1   28 32 o 66.74111 6.192168 230.5451       39.99092 238.8000       53.39677 220.0000       60.35101 66.48663 8.391479 62.42406 10.23115 4.062569       13.23228 
1 1 1 1   28 33 o 30.65186 9.735887 52.80485       32.82103 15.67000       43.07610 104.2000       50.67649 24.71813 10.42095 41.39106 11.88450 -16.67293      15.80625 
1 1 1 1   28 34 o 52.98228 7.052851 149.3845       35.66878 121.1000       46.77131 188.7000       55.14266 45.33173 10.71177 57.35077 10.19662 -12.01905      14.78895 
1 1 1 1   28 35 o 71.78159 7.810300 278.4000       53.99278 278.4000       53.99278 0.000000       0.000000 71.78159 7.810300 ?        ?        ?              ?        
1 1 1 1   28 36 o 54.51693 7.019872 158.9612       36.59142 158.7000       48.69539 159.3000       55.45775 52.44955 9.846577 51.28535 11.34818 1.164207       15.02452 
1 1 1 1   28 37 o 25.68649 10.91614 19.27000       47.89970 0.000000       0.000000 19.27000       47.89970 ?        ?        25.68649 10.91614 ?              ?        
1 1 1 1   28 38 o 30.52495 9.785670 54.28266       33.09715 85.48000       45.13370 17.99000       48.68011 37.04430 11.36479 25.48448 10.92219 11.55982       15.76239 
1 1 1 1   28 39 o 40.29099 8.898929 93.57108       34.15741 81.00000       45.88227 109.2000       51.15913 35.86702 11.52404 41.18550 11.97600 -5.318478      16.62011 
1 1 1 1   28 40 o 32.28354 9.820987 62.22258       33.79717 104.2000       45.57073 10.91000       50.38370 40.79057 11.11363 24.69578 10.84157 16.09479       15.52587 
1 1 1 1   28 41 o 44.46398 8.198606 112.1492       34.36813 64.25000       45.25748 177.4000       52.82249 32.09644 11.43478 54.15126 10.34266 -22.05482      15.41833 
1 1 1 1   28 42 o 31.59674 9.150835 59.49745       29.92364 93.19000       39.63955 14.86000       45.62590 38.78064 10.27837 24.09771 10.45200 14.68294       14.65909 
1 1 1 1   28 43 o 50.07423 6.903887 137.0694       32.93919 144.5000       43.24404 126.8000       50.83801 49.48589 9.268192 44.00190 11.62969 5.483986       14.87108 
1 1 1 1   28 44 o 21.71719 8.831750 18.36033       29.43446 27.48000       39.33532 6.756000       44.37142 24.86833 10.17315 22.77202 10.07812 2.096310       14.31997 
1 1 1 1   28 45 o 28.97953 10.87086 50.05000       41.70927 50.05000       41.70927 0.000000       0.000000 28.97953 10.87086 ?        ?        ?              ?        
1 1 1 1   28 46 o 26.25328 9.365771 39.34090       30.37140 62.84000       40.90495 10.47000       45.33988 31.46661 10.89758 23.30011 10.25480 8.166504       14.96390 
1 1 1 1   28 47 o 37.01642 11.84496 93.08000       48.50922 0.000000       0.000000 93.08000       48.50922 ?        ?        37.01642 11.84496 ?              ?        
1 1 1 1   28 48 o 55.45180 6.502412 167.1982       34.62397 214.4000       47.33881 112.9000       50.77272 61.28889 8.088184 40.51261 11.97220 20.77628       14.44826 
1 1 1 1   28 49 o 28.27884 9.386856 48.56173       30.32356 38.98000       40.55580 60.71000       45.66548 26.56904 10.51550 30.58535 11.39460 -4.016308      15.50525 
1 1 1 1   28 50 o 22.02066 8.747361 22.66321       28.16086 25.66000       36.03247 17.96000       45.14016 23.65911 9.714114 23.76343 10.35064 -0.1043167     14.19506 
1 1 1 1   28 51 o 31.29774 11.53183 68.32000       46.53869 0.000000       0.000000 68.32000       46.53869 ?        ?        31.29774 11.53183 ?              ?        
1 1 1 1   29 0  o 82.07634 3.504603 331.6204       28.09067 302.3836       39.86448 360.4550       39.58937 78.07983 5.246495 85.37366 4.756293 -7.293839      7.081528 
1 1 1 1   29 1  o 152.3459 3.670918 1140.938       54.74087 1114.011       77.38771 1167.903       77.44288 150.0945 5.275662 153.7221 5.154109 -3.627609      7.375463 
1 1 1 1   29 2  o 72.36108 4.352556 258.7887       30.68621 209.6832       37.14128 364.4000       54.46869 64.81894 5.919199 85.43810 6.563383 -20.61916      8.838264 
1 1 1 1   29 3  o 69.00993 4.356756 235.4809       29.27916 190.6630       36.34808 318.3000       49.41076 61.74274 6.093721 79.85765 6.374056 -18.11491      8.818277 
1 1 1 1   29 4  o 43.95153 6.005113 97.40578       25.15966 79.40938       33.10893 122.0000       38.70517 39.01717 8.870762 48.69331 8.425573 -9.676140      12.23441 
1 1 1 1   29 5  o 89.46947 3.427274 393.9386       29.95892 343.2064       42.94186 442.0481       41.81714 83.17085 5.302382 94.59413 4.529472 -11.42329      6.973620 
1 1 1 1   29 6  o 34.41101 7.202073 61.14585       23.47847 39.62000       42.84022 70.38687       28.06928 30.37430 11.08493 36.82041 8.016070 -6.446115      13.67966 
1 1 1 1   29 7  o 149.1341 4.175097 1096.395       60.88665 1157.000       108.8582 1068.804       73.45021 152.0758 7.334612 146.9797 5.113184 5.096115       8.940984 
1 1 1 1   29 8  o 117.6038 3.955047 681.7158       45.46328 678.6000       82.45827 683.0767       54.49437 116.3606 7.276143 117.5387 4.746338 -1.178131      8.687346 
1 1 1 1   29 9  o 136.8889 4.113031 924.0930       55.04826 953.2000       98.84488 911.0064       66.27776 137.8972 7.349607 135.6701 4.999433 2.227051       8.888817 
1 1 1 1   29 10 o 156.0308 4.314538 1201.600       65.83152 1270.000       119.1644 1171.556       78.97723 158.9836 7.680237 153.7541 5.255424 5.229431       9.306209 
1 1 1 1   29 11 o 131.3569 3.451364 849.4028       44.33773 1000.000       98.57134 811.2052       49.64322 141.2151 7.154524 128.2491 3.959314 12.96599       8.177003 
1 1 1 1   29 12 o 112.2960 5.089287 625.6876       55.79523 571.3000       75.99185 689.3000       82.18421 106.5109 7.333746 117.0934 7.205400 -10.58257      10.28113 
1 1 1 1   29 13 o 51.50038 3.901415 131.4805       19.52073 187.5000       50.80651 121.7785       21.14366 60.20178 8.888937 49.46218 4.413492 10.73960       9.924319 
1 1 1 1   29 14 o 25.95589 6.549976 34.96369       16.63871 141.1000       46.95741 19.72450       17.79316 51.78620 9.617658 20.76424 7.187540 31.02197       12.00667 
1 1 1 1   29 15 o 149.4196 3.576293 1100.083       52.30547 1067.000       107.7971 1110.270       59.81929 145.2617 7.607923 149.9038 4.080625 -4.642059      8.633191 
1 1 1 1   29 16 f 68.28593 3.327309 230.1692       22.17284 0.000000       0.000000 230.1692       22.17284 ?        ?        68.28593 3.327309 ?              ?        
1 1 1 1   29 17 o 31.93516 3.788281 51.03149       11.61138 0.000000       0.000000 51.03149       11.61138 ?        ?        31.93516 3.788281 ?              ?        
1 1 1 1   29 18 o 89.44399 5.544367 400.5878       48.30244 387.6000       63.74533 418.1000       74.02042 87.14561 7.547358 90.04892 8.498339 -2.903305      11.36593 
1 1 1 1   29 19 o 44.83631 11.02260 110.1000       48.02888 110.1000       48.02888 0.000000       0.000000 44.83631 11.02260 ?        ?        ?              ?        
1 1 1 1   29 20 o 71.56928 7.986937 264.5000       54.99912 264.5000       54.99912 0.000000       0.000000 71.56928 7.986937 ?        ?        ?              ?        
1 1 1 1   29 21 o 140.7719 5.459964 992.4061       75.09097 1136.000       108.8902 862.2000       103.6899 149.1621 7.481917 129.3351 8.233308 19.82704       11.12504 
1 1 1 1   29 22 o 80.41724 5.532522 325.3121       43.28366 305.9000       58.00609 349.7000       65.01672 76.94785 7.809470 82.10286 8.199787 -5.155006      11.32362 
1 1 1 1   29 23 o 45.52812 11.51036 116.2000       51.31517 0.000000       0.000000 116.2000       51.31517 ?        ?        45.52812 11.51036 ?              ?        
1 1 1 1   29 24 o 56.16295 6.953383 162.6643       37.40968 159.6000       50.78374 166.3000       55.31705 54.26886 9.925877 55.04023 10.65278 -0.7713699     14.56039 
1 1 1 1   29 25 o 103.4446 5.197994 537.4075       52.46334 589.3000       73.66636 484.0000       74.73391 107.2036 7.059558 96.50186 7.983171 10.70173       10.65685 
1 1 1 1   29 26 o 33.51665 9.714886 61.43135       33.71354 59.87000       44.80064 63.47000       51.19240 33.49855 11.41155 34.59595 12.17694 -1.097401      16.68835 
1 1 1 1   29 27 o 91.61938 5.327090 423.5074       47.56707 426.7000       64.89282 419.8000       69.92915 90.74473 7.369188 89.51852 8.067123 1.226212       10.92627 
1 1 1 1   29 28 o 46.98255 7.892675 117.7326       35.01100 144.5000       46.41543 82.40000       53.32703 51.22843 9.609361 37.82917 12.44368 13.39926       15.72211 
1 1 1 1   29 29 o 38.27225 9.176942 81.44116       33.93349 115.3000       45.05067 37.04000       51.58963 45.02287 10.42783 29.65496 11.82003 15.36791       15.76238 
1 1 1 1   29 30 o 43.26802 8.550513 102.7469       34.92860 126.6000       46.54213 71.99000       52.84995 47.04257 10.38578 35.36928 12.37842 11.67329       16.15828 
1 1 1 1   29 31 o 62.76486 6.364876 205.3702       38.56318 209.8000       51.27185 199.6000       58.51656 61.87897 8.705402 58.94778 10.52792 2.931187       13.66093 
1 1 1 1   29 32 o 23.24937 9.280230 20.31183       31.84674 -16.80000      40.74670 78.57000       51.05223 20.10653 9.204224 36.12517 12.18286 -16.01865      15.26891 
1 1 1 1   29 33 o 39.57992 8.966807 88.74490       33.93140 116.4000       43.86641 47.55000       53.53850 44.61720 10.25895 30.68256 12.10117 13.93464       15.86457 
1 1 1 1   29 34 o 32.67926 11.00492 62.74000       41.65748 62.74000       41.65748 0.000000       0.000000 32.67926 11.00492 ?        ?        ?              ?        
1 1 1 1   29 35 o 29.14127 9.759202 47.94244       32.76367 44.30000       42.59499 53.22000       51.27180 28.96375 10.95928 31.14181 11.96528 -2.178064      16.22571 
1 1 1 1   29 36 o 28.87319 11.48516 41.20000       48.61160 0.000000       0.000000 41.20000       48.61160 ?        ?        28.87319 11.48516 ?              ?        
1 1 1 1   29 37 o 39.47117 8.891765 89.65108       33.52646 89.42000       44.32635 89.96000       51.25107 37.90564 11.18238 37.39956 12.19303 0.5060883      16.54436 
1 1 1 1   29 38 o 27.41455 9.567256 42.17555       31.55773 -7.877000      40.52415 119.3000       50.30335 20.61551 9.336240 43.29065 11.62640 -22.67513      14.91102 
1 1 1 1   29 39 o 23.24580 9.207335 23.59950       31.11518 21.94000       39.94533 26.16000       49.61811 24.37923 10.13922 26.36788 11.15380 -1.988651      15.07352 
1 1 1 1   29 40 o 26.01618 9.374135 37.46865       30.50809 41.26000       39.94327 32.16000       47.26491 27.47549 10.55988 26.69252 11.05890 0.7829704      15.29086 
1 1 1 1   29 41 o 21.02881 8.667107 15.18867       28.82667 31.88000       37.40679 -9.218000      45.23341 25.43620 10.08885 21.22575 9.709478 4.210449       14.00210 
1 1 1 1   29 42 o 26.97574 9.301723 42.06707       29.78903 31.36000       38.20541 58.67000       47.57533 25.39740 10.15553 30.76188 11.59501 -5.364481      15.41360 
1 1 1 1   29 43 o 18.14417 8.103883 -2.956500      29.36388 -18.03000      38.75920 17.35000       44.98682 18.81637 8.742093 24.14188 10.42480 -5.325512      13.60517 
1 1 1 1   29 44 o 18.79295 8.772111 -20.48000      39.75407 -20.48000      39.75407 0.000000       0.000000 18.79295 8.772111 ?        ?        ?              ?        
1 1 1 1   29 45 o 63.41571 6.089312 215.0489       37.33424 216.7000       50.74129 213.1000       55.12829 61.09386 8.733311 59.40518 9.823846 1.688679       13.14453 
1 1 1 1   29 46 o 26.46660 10.90147 34.46000       45.56765 0.000000       0.000000 34.46000       45.56765 ?        ?        26.46660 10.90147 ?              ?        
1 1 1 1   29 47 o 37.08370 8.839477 82.40268       31.63037 117.2000       42.85204 40.75000       46.88351 43.07600 10.30225 27.38610 11.14286 15.68991       15.17562 
1 1 1 1   29 48 o 33.72548 9.017433 69.33116       30.34287 63.87000       39.85633 76.86000       46.79706 31.33874 10.76110 33.51236 11.65329 -2.173615      15.86191 
1 1 1 1   29 49 o 36.34283 8.557290 79.32552       29.93403 64.21000       39.11149 100.7000       46.50939 31.22028 10.66182 38.12637 11.50463 -6.906088      15.68537 
1 1 1 1   29 50 o 32.56137 8.894034 65.76255       29.14281 53.70000       37.12140 85.14000       47.04930 28.78486 10.34434 34.40389 11.69485 -5.619032      15.61329 
1 1 1 1   30 0  o 26.28162 7.408967 35.53623       19.87579 15.79580       28.57388 54.04129       27.66536 22.54697 8.856367 32.17335 8.613947 -9.626383      12.35457 
1 1 1 1   30 1  o 110.8081 3.389675 604.3818       36.72185 566.3452       51.78669 642.8499       52.07963 106.9092 4.962301 113.9920 4.677466 -7.082802      6.819319 
1 1 1 1   30 2  o 87.15704 3.982025 375.0333       33.88159 395.1220       43.37755 343.6000       54.26056 89.24916 4.985217 82.73401 6.759154 6.515152       8.398723 
1 1 1 1   30 3  o 131.4469 4.079033 852.4410       52.41891 766.9667       62.64698 1052.000       95.72337 124.3758 5.157049 145.0530 6.760540 -20.67718      8.502944 
1 1 1 1   30 4  o 104.7718 3.367459 540.4293       34.48963 638.9365       52.65247 466.3949       45.64587 113.6090 4.745228 97.01546 4.821892 16.59351       6.765193 
1 1 1 1   30 5  o 165.7435 4.430771 1357.094       71.81786 1465.000       130.5046 1310.220       86.01344 170.5434 7.838761 162.4805 5.415845 8.062943       9.527726 
1 1 1 1   30 6  f 72.00985 4.185939 256.6382       29.37749 164.1000       50.32726 304.4668       36.18148 56.08627 9.506449 78.33656 4.740818 -22.25029      10.62299 
1 1 1 1   30 7  o 29.22432 7.072879 44.43702       20.01211 16.69460       28.88139 70.05769       27.75500 22.77439 8.916320 36.62720 7.968731 -13.85281      11.95832 
1 1 1 1   30 8  o 116.2625 3.872194 667.0140       44.00445 595.8000       77.10958 701.4070       53.58708 108.7345 7.287009 119.0239 4.608305 -10.28938      8.621889 
1 1 1 1   30 9  o 140.6393 3.553033 974.6520       48.87248 1142.000       109.1958 932.7322       54.65192 150.5543 7.432774 137.4346 4.067066 13.11977       8.472730 
1 1 1 1   30 10 o 97.39128 5.036852 471.4045       47.85281 443.6000       67.37984 499.7000       67.97221 93.63705 7.411918 99.57702 7.018709 -5.939972      10.20778 
1 1 1 1   30 11 o 23.84621 8.038260 27.19979       22.22497 99.36000       45.03949 3.973320       25.55267 42.95235 10.74154 19.19521 8.055334 23.75714       13.42644 
1 1 1 1   30 12 o 77.77760 3.346663 298.4497       25.41882 310.7000       58.01363 295.5392       28.27767 78.06175 7.692356 77.31830 3.747576 0.7434540      8.556674 
1 1 1 1   30 13 o 23.40831 7.606359 27.02536       19.95367 84.97000       44.25293 12.23815       22.35520 39.63349 11.01285 19.88445 7.826589 19.74904       13.51067 
1 1 1 1   30 14 o 77.43595 3.253673 295.9004       24.60673 377.5000       59.67220 279.1819       27.01013 86.21161 7.135155 75.12473 3.684379 11.08688       8.030260 
1 1 1 1   30 15 o 80.03271 3.167196 315.9820       24.76226 294.1000       57.92583 320.8749       27.39116 75.63998 7.942064 80.58499 3.480770 -4.945007      8.671341 
1 1 1 1   30 16 o 106.2299 3.115647 556.3230       32.36174 698.2000       78.51647 527.2886       35.51905 117.4371 6.860322 103.3152 3.517425 14.12196       7.709494 
1 1 1 1   30 17 o 64.40482 2.908484 204.6075       18.28812 288.5000       54.24391 193.8488       19.42544 75.00403 7.488562 62.63705 3.178744 12.36698       8.135292 
1 1 1 1   30 18 o 89.85491 5.338973 404.6443       46.74588 419.9000       64.00159 387.2000       68.43855 90.64461 7.274467 86.54398 8.175915 4.100632       10.94365 
1 1 1 1   30 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   30 20 o 58.67701 9.361067 183.6000       51.95959 183.6000       51.95959 0.000000       0.000000 58.67701 9.361067 ?        ?        ?              ?        
1 1 1 1   30 21 o 95.77995 7.551883 472.4000       70.22805 472.4000       70.22805 0.000000       0.000000 95.77995 7.551883 ?        ?        ?              ?        
1 1 1 1   30 22 o 73.40511 8.872882 284.4000       62.46037 0.000000       0.000000 284.4000       62.46037 ?        ?        73.40511 8.872882 ?              ?        
1 1 1 1   30 23 o 88.79816 5.376509 397.2296       46.51264 382.9000       62.51356 415.0000       69.61571 86.03364 7.498183 89.22540 8.057741 -3.191757      11.00681 
1 1 1 1   30 24 o 63.73412 6.292483 207.9402       38.74384 196.3000       51.36795 223.3000       59.00704 60.60798 8.925755 64.25442 9.682425 -3.646442      13.16884 
1 1 1 1   30 25 o 86.96545 5.392937 382.0613       45.68106 428.4000       63.26952 331.6000       66.02404 91.05361 7.156375 79.07146 8.672682 11.98215       11.24407 
1 1 1 1   30 26 o 54.67372 7.232047 156.6877       37.75486 190.6000       51.09387 115.9000       56.03435 59.32666 9.087580 44.29449 12.42355 15.03217       15.39249 
1 1 1 1   30 27 o 61.70984 6.614291 197.6837       39.32988 191.4000       52.82409 205.5000       58.91473 59.03504 9.460885 60.63018 10.29505 -1.595139      13.98200 
1 1 1 1   30 28 o 79.57669 5.658480 323.8124       43.78742 324.4000       59.15211 323.1000       65.12782 78.14900 7.838586 77.25108 8.767931 0.8979187      11.76095 
1 1 1 1   30 29 o 55.29303 7.139009 162.0714       37.73716 132.0000       49.85959 202.4000       57.74030 47.44807 10.95679 59.64975 10.25910 -12.20168      15.01001 
1 1 1 1   30 30 o 43.73688 8.403625 105.7420       34.66962 105.4000       45.82164 106.2000       53.02353 42.06417 11.00459 41.45025 12.23090 0.6139145      16.45284 
1 1 1 1   30 31 o 51.58377 7.307357 142.7664       35.86440 183.7000       48.33642 92.63000       53.49481 57.50577 8.872396 38.57016 12.44804 18.93561       15.28637 
1 1 1 1   30 32 f 23.51113 10.08358 10.97000       41.54602 10.97000       41.54602 0.000000       0.000000 23.51113 10.08358 ?        ?        ?              ?        
1 1 1 1   30 33 o 33.43481 9.781939 65.38957       34.03883 65.93000       41.82818 64.33000       58.56880 33.25233 11.02421 33.27259 12.78727 -0.2025986E-01 16.88335 
1 1 1 1   30 34 o 40.14666 9.156837 92.76704       35.18392 138.6000       46.95227 34.07000       53.13440 48.50562 10.21255 28.35568 11.73465 20.14993       15.55629 
1 1 1 1   30 35 o 61.29025 10.42904 222.0000       60.32774 0.000000       0.000000 222.0000       60.32774 ?        ?        61.29025 10.42904 ?              ?        
1 1 1 1   30 36 o 46.18947 7.964025 118.7676       34.70650 91.77000       44.73211 159.6000       55.01221 38.28141 11.21746 50.74576 11.35897 -12.46434      15.96426 
1 1 1 1   30 37 o 33.96544 9.301230 68.16809       31.82552 91.15000       41.33254 34.70000       49.87862 38.42088 10.63088 27.65063 11.39899 10.77025       15.58694 
1 1 1 1   30 38 o 53.22496 6.961280 153.9777       35.39856 184.1000       46.60395 112.9000       54.42286 56.82023 8.652171 40.94874 12.46362 15.87149       15.17241 
1 1 1 1   30 39 o 31.35796 9.298669 59.01427       30.58570 26.14000       38.76907 113.2000       49.77368 24.63875 10.09180 41.39618 11.74331 -16.75743      15.48386 
1 1 1 1   30 40 o 33.74554 8.839977 67.64339       29.54269 33.33000       37.48482 123.9000       47.99659 25.64386 10.12200 43.87180 11.15398 -18.22793      15.06207 
1 1 1 1   30 41 o 28.88070 9.350803 49.72402       30.17116 29.08000       38.62167 82.05000       48.32922 25.03340 10.13996 35.05125 11.85345 -10.01784      15.59882 
1 1 1 1   30 42 o 36.43017 8.939627 79.26738       31.63517 69.38000       41.84978 92.45000       48.32294 32.76172 11.03028 36.94705 11.82214 -4.185333      16.16879 
1 1 1 1   30 43 o 39.69368 10.96605 102.4000       44.01779 102.4000       44.01779 0.000000       0.000000 39.69368 10.96605 ?        ?        ?              ?        
1 1 1 1   30 44 o 32.80505 9.362447 65.81291       31.54242 49.96000       41.91202 86.52000       47.90088 28.80007 10.87696 35.67088 11.79629 -6.870811      16.04558 
1 1 1 1   30 45 f 22.78013 9.059542 23.92608       30.24047 36.21000       40.34724 8.180000       45.68058 26.19757 10.44940 22.94963 10.18756 3.247946       14.59371 
1 1 1 1   30 46 o 35.57848 8.990683 76.67736       31.31827 64.43000       41.57758 92.74000       47.61530 31.43569 10.98082 36.70003 11.73444 -5.264341      16.07095 
1 1 1 1   30 47 o 29.03530 9.360847 51.86793       30.25623 90.97000       40.64469 3.269000       45.31242 37.25729 10.62609 22.14421 9.964662 15.11307       14.56737 
1 1 1 1   30 48 o 22.54985 8.849813 25.25860       28.51037 -12.45000      36.39297 85.17000       45.87246 18.50059 8.552000 34.87716 11.54421 -16.37657      14.36682 
1 1 1 1   30 49 o 20.15333 8.381615 14.92227       27.29648 7.974000       34.45169 26.64000       44.73980 20.42560 8.966054 24.50666 10.48626 -4.081060      13.79680 
1 1 1 1   31 0  o 129.3112 3.512080 824.1937       44.41243 890.8000       93.82137 804.9582       50.41926 132.9392 7.237414 127.6462 4.040449 5.293015       8.288871 
1 1 1 1   31 1  o 186.0540 4.789457 1715.428       87.15058 1774.413       109.6000 1614.000       143.7211 188.5988 5.944399 178.2991 8.257452 10.29973       10.17455 
1 1 1 1   31 2  o 130.3409 5.074605 843.8508       64.61877 843.8508       64.61877 0.000000       0.000000 130.3409 5.074605 ?        ?        ?              ?        
1 1 1 1   31 3  o 149.2569 3.681602 1098.102       53.78703 991.5551       73.35191 1222.021       79.10629 141.1922 5.317053 156.8361 5.160008 -15.64383      7.409234 
1 1 1 1   31 4  o 139.1547 4.112789 957.1115       55.95819 1102.000       104.6272 899.0614       66.22607 147.8213 7.253197 134.5332 5.038034 13.28807       8.831232 
1 1 1 1   31 5  o 72.53930 4.261968 260.9562       30.12812 246.8000       53.54255 267.5152       36.44539 69.38557 8.031730 73.23872 5.116056 -3.853142      9.522747 
1 1 1 1   31 6  o 104.3668 3.365806 537.0157       34.33915 559.3594       49.68960 516.5897       47.50953 106.1225 4.795963 101.9837 4.772543 4.138756       6.765975 
1 1 1 1   31 7  o 44.43692 5.925984 100.2072       25.13375 63.10000       45.32994 116.6789       30.20126 34.94689 11.47157 47.80835 6.632174 -12.86146      13.25076 
1 1 1 1   31 8  o 121.0134 3.424192 722.2485       40.51920 681.2000       82.73363 735.2013       46.47442 115.9396 7.327766 121.9566 3.898170 -6.016968      8.300114 
1 1 1 1   31 9  o 67.44077 3.703754 225.1323       24.35569 212.1000       54.20805 228.4286       27.26238 63.76406 8.929705 67.84309 4.124858 -4.079021      9.836365 
1 1 1 1   31 10 o 71.11624 3.562581 250.1219       24.72035 271.7000       55.26497 244.7246       27.63961 72.71314 7.891181 70.23901 4.037206 2.474129       8.863958 
1 1 1 1   31 11 o 121.2895 4.772785 731.7174       56.55262 738.4000       84.51788 726.3000       76.09808 120.6280 7.190673 120.0211 6.501812 0.6069260      9.694294 
1 1 1 1   31 12 o 104.7412 3.295219 541.3224       33.74174 592.6000       75.51063 528.5292       37.71669 107.9855 7.184785 103.3756 3.733559 4.609825       8.096951 
1 1 1 1   31 13 o 108.3914 4.594663 584.3563       48.63720 517.0000       72.03128 640.8000       65.93861 100.6796 7.360108 112.8924 5.988600 -12.21280      9.488652 
1 1 1 1   31 14 o 94.79965 3.181412 443.4831       29.47930 527.1000       68.49628 424.4742       32.65866 101.8552 6.911264 92.63383 3.608728 9.221321       7.796697 
1 1 1 1   31 15 o 19.59558 6.569050 18.40558       14.84421 123.4000       44.56713 5.304129       15.74314 47.78146 9.856336 15.82105 6.449623 31.96041       11.77901 
1 1 1 1   31 16 o 49.70682 3.531660 122.6756       17.07117 130.7000       47.65682 121.4944       18.28452 48.96981 10.27085 49.40802 3.810179 -0.4382095     10.95481 
1 1 1 1   31 17 o 48.66491 3.330557 117.4560       15.76933 200.1000       49.11208 107.9562       16.65101 61.80540 8.330008 46.57614 3.682276 15.22927       9.107589 
1 1 1 1   31 18 o 52.94736 9.878049 151.9000       49.31172 151.9000       49.31172 0.000000       0.000000 52.94736 9.878049 ?        ?        ?              ?        
1 1 1 1   31 19 o 98.33109 5.229659 485.3932       50.15402 463.5000       67.65711 512.1000       74.72547 94.94002 7.337343 99.55963 7.728433 -4.619614      10.65670 
1 1 1 1   31 20 o 79.84620 8.507778 334.8000       65.47019 0.000000       0.000000 334.8000       65.47019 ?        ?        79.84620 8.507778 ?              ?        
1 1 1 1   31 21 o 52.71425 11.24587 156.2000       56.25658 0.000000       0.000000 156.2000       56.25658 ?        ?        52.71425 11.24587 ?              ?        
1 1 1 1   31 22 o 64.40569 8.451797 219.8000       51.99737 219.8000       51.99737 0.000000       0.000000 64.40569 8.451797 ?        ?        ?              ?        
1 1 1 1   31 23 f 80.64528 5.690456 330.1595       44.63081 351.1000       59.44234 303.1000       67.57117 82.13117 7.475883 74.98883 9.412569 7.142342       12.02020 
1 1 1 1   31 24 o 62.04512 6.465768 198.8416       38.69209 234.1000       52.46531 156.8000       57.29025 66.33170 8.259020 52.15813 11.52863 14.17358       14.18170 
1 1 1 1   31 25 o 55.73956 7.178140 163.3583       38.25531 131.7000       50.13048 207.5000       59.19464 47.86056 10.94011 60.88754 10.29911 -13.02699      15.02524 
1 1 1 1   31 26 o 64.27654 6.438342 214.5768       39.96254 175.0000       52.81116 267.6000       61.12770 55.77460 10.04277 69.92497 9.150316 -14.15038      13.58623 
1 1 1 1   31 27 o 62.63218 6.687920 205.5694       40.36731 184.0000       53.29381 234.6000       61.82819 57.09388 9.894689 64.39099 10.14506 -7.297108      14.17135 
1 1 1 1   31 28 o 68.20891 6.101013 241.6546       40.30360 222.0000       52.83850 269.0000       62.32480 63.51346 8.729921 69.39037 9.419000 -5.876907      12.84247 
1 1 1 1   31 29 o 65.80489 6.172571 225.7860       39.29440 197.9000       51.34674 265.2000       61.04433 59.52724 9.100953 68.85717 9.294221 -9.329929      13.00807 
1 1 1 1   31 30 o 43.12936 8.364039 103.5562       34.03526 119.6000       44.70306 81.43000       52.49717 45.06583 10.35221 36.27465 12.35302 8.791176       16.11724 
1 1 1 1   31 31 o 59.10798 9.061063 196.6000       50.75512 196.6000       50.75512 0.000000       0.000000 59.10798 9.061063 ?        ?        ?              ?        
1 1 1 1   31 32 o 33.97267 9.794422 67.88673       34.35286 100.4000       46.16909 27.56000       51.41828 40.35364 11.26209 27.26087 11.43259 13.09277       16.04801 
1 1 1 1   31 33 o 69.20000 9.260851 272.1000       61.15495 0.000000       0.000000 272.1000       61.15495 ?        ?        69.20000 9.260851 ?              ?        
1 1 1 1   31 34 o 52.48313 7.566187 151.0437       37.74773 130.7000       49.76779 178.6000       57.92197 45.91317 11.17991 53.77723 11.36026 -7.864067      15.93882 
1 1 1 1   31 35 o 46.00302 8.019793 118.4905       34.80016 101.7000       44.91835 143.7000       55.03944 40.28305 11.05760 47.33165 11.89552 -7.048599      16.24112 
1 1 1 1   31 36 o 37.74507 9.033285 83.45820       32.92855 47.97000       42.06765 139.6000       52.91143 29.06063 10.91406 46.79354 11.60822 -17.73291      15.93322 
1 1 1 1   31 37 o 43.99973 8.018136 109.5827       33.26072 86.93000       42.54256 145.2000       53.34507 36.92603 10.97085 47.46401 11.58530 -10.53798      15.95552 
1 1 1 1   31 38 o 33.17819 8.974616 65.60407       29.84405 64.38000       37.56114 67.70000       49.14994 32.11557 10.43604 32.37666 11.86408 -0.2610970     15.80086 
1 1 1 1   31 39 o 34.09101 8.892527 69.38307       29.97874 68.88000       38.10732 70.20000       48.56076 32.97620 10.49261 32.66610 11.81922 0.3101006      15.80471 
1 1 1 1   31 40 o 22.59999 8.972704 22.87646       29.61538 21.15000       37.80207 25.62000       47.65324 23.58347 9.840208 25.59896 10.88382 -2.015497      14.67267 
1 1 1 1   31 41 o 18.01046 8.091644 -4.299538      29.74610 -22.05000      38.45901 22.13000       46.92865 18.28767 8.566082 24.91849 10.70253 -6.630821      13.70846 
1 1 1 1   31 42 o 31.78560 9.525621 62.21321       31.96519 31.02000       40.99359 110.6000       51.05629 25.42642 10.39152 40.06066 12.04627 -14.63424      15.90900 
1 1 1 1   31 43 o 32.55829 11.74878 70.86000       47.94369 0.000000       0.000000 70.86000       47.94369 ?        ?        32.55829 11.74878 ?              ?        
1 1 1 1   31 44 o 24.06617 9.151689 30.65692       29.79206 28.94000       39.25211 32.99000       45.75655 24.78992 10.15418 26.10542 10.85398 -1.315508      14.86325 
1 1 1 1   31 45 o 26.77223 9.300765 42.56897       29.80632 52.57000       39.71445 29.67000       45.10284 29.02615 10.65998 25.49082 10.69999 3.535330       15.10380 
1 1 1 1   31 46 o 20.02636 8.482386 11.52169       28.75911 9.380000       37.73389 14.49000       44.42292 21.47680 9.406698 23.24169 10.19234 -1.764889      13.86974 
1 1 1 1   31 47 o 17.85574 7.930886 0.1024869      27.72425 -1.603000      35.61061 2.727000       44.17530 19.52137 8.804687 21.68218 9.790374 -2.160809      13.16715 
1 1 1 1   31 48 f 31.97993 8.986580 64.15907       29.29008 51.76000       37.19814 84.39000       47.51542 28.23950 10.32556 33.98636 11.74641 -5.746862      15.63954 
1 1 1 1   32 0  o 96.49033 5.027134 464.3157       47.31623 434.5000       67.75362 492.7000       66.10725 92.24950 7.570005 98.60966 6.892334 -6.360168      10.23764 
1 1 1 1   32 1  o 81.88949 3.570802 331.5232       28.55321 259.1000       56.99729 355.7878       32.99148 70.73545 8.395664 84.73492 3.988907 -13.99947      9.295082 
1 1 1 1   32 2  o 103.3391 4.958019 532.1658       50.00465 532.1658       50.00465 0.000000       0.000000 103.3391 4.958019 ?        ?        ?              ?        
1 1 1 1   32 3  o 122.8055 4.882691 750.7451       58.57562 0.000000       0.000000 750.7451       58.57562 ?        ?        122.8055 4.882691 ?              ?        
1 1 1 1   32 4  f 69.34606 3.792193 238.2742       25.64262 242.5411       37.71422 234.6058       34.96942 69.47272 5.593298 68.42269 5.261723 1.050034       7.679239 
1 1 1 1   32 5  o 98.29519 3.416568 477.1061       32.82220 413.6339       45.49364 546.0099       47.40025 91.00228 5.128057 104.7794 4.633123 -13.77710      6.911064 
1 1 1 1   32 6  o 85.64503 4.053404 363.7429       33.88396 310.6000       59.14458 389.7069       41.34081 77.70637 7.884974 88.42849 4.794106 -10.72212      9.228016 
1 1 1 1   32 7  o 108.9670 3.389598 586.2508       36.10946 560.4000       73.84559 594.3743       41.39608 104.9177 7.234971 109.5765 3.865596 -4.658737      8.202904 
1 1 1 1   32 8  o 80.59830 3.533283 321.3036       27.80699 324.5000       58.17546 320.3571       31.65756 79.53539 7.563557 80.35044 4.038102 -0.8150558     8.574011 
1 1 1 1   32 9  o 144.4818 3.597780 1031.103       50.88081 1135.000       108.3089 1001.681       57.63661 149.1998 7.439812 142.1335 4.147251 7.066284       8.517657 
1 1 1 1   32 10 o 70.51575 3.566812 246.2219       24.53917 301.4000       54.34225 232.0884       27.50297 76.68284 7.328977 68.31995 4.132004 8.362892       8.413522 
1 1 1 1   32 11 o 52.49520 4.611126 138.0282       23.45320 0.000000       0.000000 138.0282       23.45320 ?        ?        52.49520 4.611126 ?              ?        
1 1 1 1   32 12 o 48.92902 5.337024 121.0609       25.14675 127.7000       46.50000 118.3167       29.89541 48.43818 10.13363 47.98764 6.534139 0.4505463      12.05759 
1 1 1 1   32 13 o 80.95176 3.277269 323.9677       25.91468 387.0000       59.09629 308.9611       28.83499 87.00242 6.998405 78.93074 3.742884 8.071678       7.936426 
1 1 1 1   32 14 o 73.44267 5.540171 272.0140       39.53336 213.4000       52.12321 351.4000       60.66003 63.67863 8.580567 82.51160 7.595907 -18.83296      11.45967 
1 1 1 1   32 15 o 30.41269 5.243397 47.53312       15.04539 66.71000       42.64500 44.80679       16.07935 35.02547 11.09440 29.36872 5.799292 5.656748       12.51869 
1 1 1 1   32 16 o 46.89556 3.842550 109.6919       17.48379 187.8000       47.86703 97.66698       18.78146 59.68023 8.428421 44.09763 4.410298 15.58260       9.512571 
1 1 1 1   32 17 o 35.43277 3.799858 62.91299       12.97326 126.7000       45.43379 57.25047       13.53686 48.07930 9.981162 33.69358 4.195152 14.38572       10.82695 
1 1 1 1   32 18 o 66.41766 6.097033 224.9937       39.19582 244.9000       53.22140 201.4000       57.94141 68.29218 8.120597 60.75331 10.09778 7.538864       12.95798 
1 1 1 1   32 19 o 43.67567 12.02193 110.0000       53.01163 0.000000       0.000000 110.0000       53.01163 ?        ?        43.67567 12.02193 ?              ?        
1 1 1 1   32 20 o 69.06765 5.942630 243.2312       39.78511 241.6000       52.16179 245.5000       61.51802 67.74933 8.021188 67.31937 9.608196 0.4299622      12.51626 
1 1 1 1   32 21 o 41.79392 8.955682 95.61658       35.53473 103.3000       45.95421 84.19000       56.04102 42.53074 10.96770 38.23217 12.76282 4.298573       16.82795 
1 1 1 1   32 22 o 38.36152 9.406534 82.03089       35.04569 96.32000       45.96446 62.19000       54.16270 40.81013 11.17895 34.03797 12.45737 6.772167       16.73783 
1 1 1 1   32 23 o 64.55399 9.770889 230.7000       59.81072 0.000000       0.000000 230.7000       59.81072 ?        ?        64.55399 9.770889 ?              ?        
1 1 1 1   32 24 f 71.53533 8.407027 276.0000       57.74429 276.0000       57.74429 0.000000       0.000000 71.53533 8.407027 ?        ?        ?              ?        
1 1 1 1   32 25 o 38.49441 9.494268 84.41444       35.54713 72.72000       46.59369 100.7000       54.98427 35.14267 11.63471 40.39075 12.57024 -5.248085      17.12826 
1 1 1 1   32 26 o 31.13368 9.950198 55.14788       34.23914 95.66000       45.11885 0.1403000      52.57470 39.93041 11.12931 24.51462 10.90306 15.41579       15.58006 
1 1 1 1   32 27 o 42.85849 8.480551 102.2914       34.31672 98.00000       43.81642 109.1000       55.19123 40.48416 10.84126 41.59663 12.52825 -1.112469      16.56774 
1 1 1 1   32 28 o 38.77737 9.050887 85.86649       33.72504 61.85000       42.63805 126.0000       55.11833 32.48298 11.13106 44.76124 12.23364 -12.27826      16.53972 
1 1 1 1   32 29 o 44.07867 8.376320 108.5120       34.81915 130.7000       44.70627 74.30000       55.51352 47.33276 9.965028 34.79084 12.63012 12.54192       16.08794 
1 1 1 1   32 30 o 43.98388 10.56285 116.2000       44.90233 116.2000       44.90233 0.000000       0.000000 43.98388 10.56285 ?        ?        ?              ?        
1 1 1 1   32 31 o 66.48581 6.034333 231.6611       38.84302 183.3000       50.71319 300.3000       60.41678 56.44412 9.517159 73.43867 8.565409 -16.99455      12.80401 
1 1 1 1   32 32 o 70.70879 8.892690 282.7000       60.18979 0.000000       0.000000 282.7000       60.18979 ?        ?        70.70879 8.892690 ?              ?        
1 1 1 1   32 33 f 78.00980 5.666630 317.3614       42.97432 404.4000       60.77090 230.3000       60.77884 86.46830 7.246732 62.19063 10.34784 24.27767       12.63301 
1 1 1 1   32 34 o 38.31096 8.951873 85.69547       32.96167 68.77000       42.35115 111.7000       52.49517 33.21440 11.09512 41.13784 12.17786 -7.923447      16.47428 
1 1 1 1   32 35 o 36.69584 9.008142 79.44440       32.11305 58.43000       41.02316 112.7000       51.60632 30.91129 10.89884 41.20903 12.04119 -10.29773      16.24115 
1 1 1 1   32 36 o 39.50418 8.469808 90.64440       31.76747 58.44000       40.00693 145.6000       52.26171 30.70433 10.76809 47.51566 11.38579 -16.81132      15.67125 
1 1 1 1   32 37 o 28.99178 9.141384 50.15217       28.98243 60.86000       36.15144 30.89000       48.48724 31.27718 10.24329 26.39344 11.08748 4.883739       15.09494 
1 1 1 1   32 38 o 24.33344 9.014094 31.73806       28.50220 52.55000       35.76360 -4.492000      47.18669 29.34010 10.18819 21.94924 9.992963 7.390862       14.27090 
1 1 1 1   32 39 o 23.24747 9.043728 26.34457       29.55988 41.97000       37.77755 1.671000       47.47159 27.16143 10.31092 22.62160 10.18768 4.539831       14.49496 
1 1 1 1   32 40 o 32.21469 10.91947 67.12000       41.01447 67.12000       41.01447 0.000000       0.000000 32.21469 10.91947 ?        ?        ?              ?        
1 1 1 1   32 41 o 32.32786 9.276255 63.96788       30.88328 50.72000       40.33013 82.75000       48.02073 28.81489 10.71345 34.78037 11.81508 -5.965481      15.94911 
1 1 1 1   32 42 o 21.60404 9.829775 -3.526000      45.57025 0.000000       0.000000 -3.526000      45.57025 ?        ?        21.60404 9.829775 ?              ?        
1 1 1 1   32 43 o 23.44531 9.091697 28.02315       29.80096 66.73000       39.06028 -25.89000      46.09871 32.00433 10.65452 19.55453 9.227440 12.44980       14.09483 
1 1 1 1   32 44 o 18.73215 8.194171 3.628417       28.55294 21.25000       37.13371 -21.86000      44.65986 23.18738 9.719360 19.57737 9.189524 3.610014       13.37585 
1 1 1 1   32 45 o 24.40180 9.123240 33.27965       29.32607 31.75000       38.21806 35.47000       45.73293 24.88223 10.08389 26.14142 10.85856 -1.259188      14.81867 
1 1 1 1   32 46 o 17.17702 7.763067 -4.633884      27.84757 16.24000       35.63663 -37.37000      44.62811 21.90301 9.365179 18.11399 8.694563 3.789022       12.77897 
1 1 1 1   32 47 o 18.16483 7.943575 4.568939       26.81526 -18.12000      33.37063 45.92000       45.05060 16.96822 7.958049 27.15741 10.96902 -10.18919      13.55175 
1 1 1 1   33 0  o 16.80335 7.074414 2.755510       19.80841 -33.48000      42.03094 13.10158       22.45896 19.40358 9.044737 20.01943 7.855281 -0.6158447     11.97968 
1 1 1 1   33 1  o 22.61579 8.291376 22.05556       24.00994 34.73000       42.91259 16.27972       28.96865 28.78377 10.97450 22.45754 8.887569 6.326229       14.12192 
1 1 1 1   33 2  o 54.43931 4.982838 148.9228       26.25775 68.79000       45.50654 188.9185       32.14959 35.74335 11.47603 61.23029 5.420098 -25.48694      12.69160 
1 1 1 1   33 3  o 88.11152 3.477709 384.0456       29.93493 421.1702       43.65860 351.1068       41.12378 91.81575 4.875352 83.74980 5.039845 8.065948       7.012068 
1 1 1 1   33 4  o 65.59088 3.885056 213.7147       24.83117 222.1704       35.74615 205.8296       34.51913 66.37865 5.552496 63.86610 5.577746 2.512550       7.870291 
1 1 1 1   33 5  o 94.82377 3.966418 446.1829       36.73346 508.3000       66.93951 419.4173       43.94046 99.87561 6.889474 91.59177 4.919242 8.283844       8.465447 
1 1 1 1   33 6  o 48.07576 4.726504 116.1470       21.95468 88.29000       46.15123 124.2950       24.95980 39.86974 11.30711 49.61154 5.217893 -9.741795      12.45300 
1 1 1 1   33 7  o 22.23164 7.623387 23.61878       20.00042 -21.59000      42.06429 36.82488       22.73471 20.55552 9.387806 26.57535 8.048786 -6.019829      12.36583 
1 1 1 1   33 8  o 67.53985 3.724715 226.4137       24.52869 278.4000       52.32672 211.7735       27.76858 73.50698 7.371979 65.13748 4.380759 8.369499       8.575379 
1 1 1 1   33 9  o 52.66681 4.252183 138.6277       21.73452 110.2000       45.06241 147.2458       24.81125 44.67874 10.48533 54.15986 4.727541 -9.481121      11.50182 
1 1 1 1   33 10 o 65.55976 3.708220 213.4427       23.69926 262.3000       50.73098 199.8039       26.80381 71.26607 7.379149 63.24874 4.356111 8.017326       8.568987 
1 1 1 1   33 11 o 85.08279 3.366672 358.2622       27.98275 332.7000       57.66054 366.1373       32.00418 80.28961 7.420845 85.87926 3.816793 -5.589645      8.344870 
1 1 1 1   33 12 o 17.38818 7.342751 2.926710       21.44339 41.14000       39.74519 -12.76380      25.46807 29.35583 10.68249 16.24274 7.373957 13.11309       12.98041 
1 1 1 1   33 13 o 54.49838 3.773794 147.8683       20.00679 177.7000       48.26520 141.6789       21.98450 57.78192 8.812106 53.21708 4.255897 4.564842       9.786004 
1 1 1 1   33 14 o 78.55746 5.475609 311.7184       41.84069 342.8000       57.84000 277.6000       60.59978 81.42179 7.335994 72.41324 8.725252 9.008553       11.39942 
1 1 1 1   33 15 o 27.39244 6.062085 39.39547       15.82351 111.0000       43.19918 28.29957       17.00539 44.74443 10.10335 23.31066 6.938797 21.43377       12.25661 
1 1 1 1   33 16 o 95.20373 3.127105 448.3091       29.10133 470.4000       65.65067 442.9069       32.46520 95.50269 7.073117 94.49660 3.516039 1.006088       7.898830 
1 1 1 1   33 17 o 37.88577 3.960353 72.09194       14.46974 0.000000       0.000000 72.09194       14.46974 ?        ?        37.88577 3.960353 ?              ?        
1 1 1 1   33 18 o 55.33588 11.02634 173.2000       57.62549 0.000000       0.000000 173.2000       57.62549 ?        ?        55.33588 11.02634 ?              ?        
1 1 1 1   33 19 o 29.84069 9.613962 48.15664       31.91819 54.73000       39.92197 36.51000       53.13967 31.75705 10.77297 29.85255 11.96344 1.904495       16.09909 
1 1 1 1   33 20 o 27.72564 9.666046 39.67537       32.20827 27.30000       39.75329 63.32000       54.94904 26.26296 10.40568 34.12788 12.53808 -7.864916      16.29361 
1 1 1 1   33 21 o 56.46418 6.741683 166.9340       36.52509 151.5000       46.11999 192.9000       59.82072 52.24581 9.362330 57.92027 10.95265 -5.674458      14.40881 
1 1 1 1   33 22 o 54.15998 7.133566 155.4053       36.89881 175.8000       48.65604 127.8000       56.60754 56.37351 9.129678 45.73383 12.35558 10.63968       15.36266 
1 1 1 1   33 23 o 49.94196 7.615263 134.4638       36.05090 134.3000       46.91526 134.7000       56.33492 48.19919 10.25928 46.82172 12.17862 1.377468       15.92393 
1 1 1 1   33 24 o 81.63467 5.512259 342.4886       43.78815 315.9000       57.20903 380.1000       68.04185 76.66261 7.729273 83.44263 8.446926 -6.780022      11.44955 
1 1 1 1   33 25 o 37.75254 12.52063 89.24000       53.95313 0.000000       0.000000 89.24000       53.95313 ?        ?        37.75254 12.52063 ?              ?        
1 1 1 1   33 26 o 79.96719 7.401998 342.9000       57.28105 342.9000       57.28105 0.000000       0.000000 79.96719 7.401998 ?        ?        ?              ?        
1 1 1 1   33 27 o 52.76732 7.143129 149.8318       35.94774 114.3000       44.97318 212.7000       59.82198 43.64474 10.62786 60.10798 10.55246 -16.46324      14.97684 
1 1 1 1   33 28 o 41.78758 10.60789 105.6000       43.45840 105.6000       43.45840 0.000000       0.000000 41.78758 10.60789 ?        ?        ?              ?        
1 1 1 1   33 29 o 34.43295 11.23418 72.83000       43.50327 72.83000       43.50327 0.000000       0.000000 34.43295 11.23418 ?        ?        ?              ?        
1 1 1 1   33 30 o 64.09643 6.372210 217.7152       39.44992 260.9000       53.75306 167.3000       58.07893 68.61601 8.163188 51.59677 11.76209 17.01924       14.31727 
1 1 1 1   33 31 o 23.87419 10.55467 6.606000       48.54176 0.000000       0.000000 6.606000       48.54176 ?        ?        23.87419 10.55467 ?              ?        
1 1 1 1   33 32 o 17.52620 7.977266 -10.13212      30.04675 -18.02000      38.00340 3.020000       49.07271 18.81505 8.712022 23.44292 10.47299 -4.627871      13.62288 
1 1 1 1   33 33 o 24.97528 9.411599 32.24387       31.34060 53.50000       40.27529 -0.3856000     49.90011 29.93931 10.77286 23.16432 10.43742 6.774986       14.99980 
1 1 1 1   33 34 o 50.99174 7.189230 143.2486       34.88834 113.5000       44.77946 189.2000       55.65382 42.37949 10.77320 55.32486 10.66367 -12.94537      15.15835 
1 1 1 1   33 35 o 20.78079 8.583371 14.73303       28.35405 -27.29000      35.20341 92.34000       47.84003 16.99362 8.032438 37.08772 11.75114 -20.09410      14.23409 
1 1 1 1   33 36 o 16.09696 7.468944 -15.67511      28.15136 -60.16000      35.01956 65.58000       47.32927 14.36799 7.071831 31.72375 11.63940 -17.35576      13.61934 
1 1 1 1   33 37 o 44.56073 7.521969 111.6689       31.64201 106.3000       40.29905 120.3000       51.09586 41.37474 10.05139 42.20878 11.87232 -0.8340454     15.55579 
1 1 1 1   33 38 o 28.99366 9.390553 51.04250       30.42668 40.60000       39.40595 66.46000       47.88139 26.88603 10.44671 31.73740 11.69645 -4.851364      15.68249 
1 1 1 1   33 39 o 25.20459 10.24675 31.01000       39.60713 31.01000       39.60713 0.000000       0.000000 25.20459 10.24675 ?        ?        ?              ?        
1 1 1 1   33 40 o 26.83196 9.319623 42.55606       29.92658 40.69000       38.35509 45.46000       47.84676 26.77483 10.33282 28.14680 11.32701 -1.371971      15.33194 
1 1 1 1   33 41 o 19.81921 9.307561 -22.72000      45.91083 0.000000       0.000000 -22.72000      45.91083 ?        ?        19.81921 9.307561 ?              ?        
1 1 1 1   33 42 o 26.80799 9.322747 42.99692       29.95119 39.68000       38.71732 47.94000       47.26469 26.44627 10.33241 28.29181 11.30139 -1.845541      15.31275 
1 1 1 1   33 43 o 29.60519 9.264805 54.07140       29.82540 47.02000       38.62140 64.49000       46.94560 27.79917 10.45381 31.04139 11.55540 -3.242228      15.58234 
1 1 1 1   33 44 o 20.24577 8.531301 13.17415       28.84796 -15.48000      37.09037 57.05000       45.89657 18.32522 8.526761 29.46793 11.32108 -11.14271      14.17295 
1 1 1 1   33 45 o 13.30311 6.459347 -35.76034      26.42763 -52.79000      32.90509 -4.813000      44.35799 14.03118 6.895958 20.77707 9.545360 -6.745893      11.77574 
1 1 1 1   33 46 o 37.81244 8.423477 86.95420       30.37790 76.49000       38.72300 103.7000       48.98566 33.35725 10.57267 37.35553 11.89752 -3.998280      15.91642 
1 1 1 1   34 0  o 105.7224 3.993468 555.3159       41.25172 0.000000       0.000000 555.3159       41.25172 ?        ?        105.7224 3.993468 ?              ?        
1 1 1 1   34 1  o 86.44013 3.986296 371.4557       33.63724 363.9000       59.52660 375.0002       40.77060 84.03870 7.309079 86.53901 4.832337 -2.500313      8.762084 
1 1 1 1   34 2  o 86.20672 4.179925 370.0326       35.16572 304.9000       58.03498 407.8216       44.20523 76.57745 7.853688 90.17278 5.028233 -13.59532      9.325425 
1 1 1 1   34 3  o 79.20025 3.565396 310.9847       27.56929 272.1000       53.45641 325.0751       32.17897 72.40341 7.658795 80.81891 4.080944 -8.415497      8.678205 
1 1 1 1   34 4  o 57.42773 5.956319 167.9883       32.99593 0.000000       0.000000 167.9883       32.99593 ?        ?        57.42773 5.956319 ?              ?        
1 1 1 1   34 5  o 51.52672 4.426777 133.0886       22.11061 88.82000       43.78086 148.2453       25.61760 39.86601 10.90609 54.26978 4.874393 -14.40377      11.94581 
1 1 1 1   34 6  o 84.17088 3.483357 351.0356       28.63693 423.4000       60.89751 330.4902       32.44852 90.89151 6.896417 81.47957 4.081548 9.411942       8.013713 
1 1 1 1   34 7  o 41.14761 5.410485 86.35759       21.26401 89.30000       43.00854 85.40563       24.46314 39.97652 10.75654 40.61298 6.362542 -0.6364555     12.49741 
1 1 1 1   34 8  o 31.29170 6.646115 51.56365       19.72724 50.80000       40.57125 51.80010       22.57569 31.35686 10.85337 31.15810 7.494240 0.1987648      13.18936 
1 1 1 1   34 9  o 99.65820 3.336423 491.6417       32.50032 562.7000       68.50528 471.0029       36.91967 104.8638 6.709286 97.34631 3.882435 7.517525       7.751633 
1 1 1 1   34 10 o 32.74229 6.180680 55.97784       19.08253 66.46000       41.22728 53.11983       21.52739 34.70936 10.89711 31.61122 7.128010 3.098137       13.02135 
1 1 1 1   34 11 o 74.00958 3.491213 271.8395       25.21997 244.6000       53.39291 279.6624       28.61312 68.12297 8.170056 74.93677 3.914466 -6.813797      9.059407 
1 1 1 1   34 12 o 98.13703 3.907505 479.2338       37.46015 546.6000       68.77427 450.8169       44.66762 103.1013 6.853751 94.76629 4.831348 8.335022       8.385453 
1 1 1 1   34 13 o 87.93038 4.580364 387.4422       39.28667 459.3000       62.78429 341.2000       50.36551 94.44470 6.837826 81.62199 6.354077 12.82271       9.334353 
1 1 1 1   34 14 o 24.65458 6.626194 32.18776       16.33212 87.16000       41.18605 21.93057       17.79068 39.26844 10.50864 21.18444 7.191547 18.08400       12.73381 
1 1 1 1   34 15 o 111.9864 3.851322 624.5339       42.15359 682.7000       77.61346 600.1970       50.20355 114.9178 6.932143 109.3188 4.702732 5.598991       8.376771 
1 1 1 1   34 16 o 35.75289 12.22970 72.81000       51.46480 0.000000       0.000000 72.81000       51.46480 ?        ?        35.75289 12.22970 ?              ?        
1 1 1 1   34 17 o 105.3754 3.181551 550.6174       32.77832 523.4000       71.32684 557.9043       36.90622 99.97221 7.340161 105.8950 3.565644 -5.922760      8.160378 
1 1 1 1   34 18 o 39.13307 8.942867 85.32588       33.50465 48.10000       41.12555 158.8000       57.77719 30.19535 10.88328 51.86405 11.66469 -21.66870      15.95339 
1 1 1 1   34 19 o 38.39486 8.993030 82.66482       33.20076 75.20000       40.68269 97.55000       57.44830 35.93093 10.74127 39.79732 12.90443 -3.866390      16.78986 
1 1 1 1   34 20 f 62.78839 6.168693 205.0579       37.42327 189.6000       46.88404 232.2000       62.12563 58.95638 8.358377 63.74422 10.30859 -4.787842      13.27138 
1 1 1 1   34 21 o 66.75335 5.946711 231.2509       38.44946 283.0000       50.07313 156.9000       60.02005 73.04652 7.092405 50.34611 12.28876 22.70041       14.18858 
1 1 1 1   34 22 o 35.23853 8.954382 70.71340       30.94431 76.76000       38.34361 59.42000       52.40221 36.06865 10.33184 32.44946 12.18231 3.619190       15.97359 
1 1 1 1   34 23 o 37.18453 8.792828 78.53534       31.49696 78.95000       39.29335 77.79000       52.68099 36.41405 10.46792 35.55245 12.36411 0.8616028      16.20026 
1 1 1 1   34 24 o 60.08162 6.162893 189.4111       35.73052 169.2000       44.41143 226.5000       60.16187 55.15808 8.498359 62.41777 10.19895 -7.259686      13.27557 
1 1 1 1   34 25 o 26.48776 9.434605 37.54391       30.80774 61.04000       37.92130 -8.069000      52.83593 32.12573 10.48919 23.39103 10.61991 8.734705       14.92667 
1 1 1 1   34 26 o 48.18000 7.649933 127.4145       34.87264 161.9000       45.46274 78.12000       54.35467 53.36055 9.025701 35.15079 12.53053 18.20977       15.44271 
1 1 1 1   34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   34 28 o 38.97429 11.43234 96.11000       46.44157 96.11000       46.44157 0.000000       0.000000 38.97429 11.43234 ?        ?        ?              ?        
1 1 1 1   34 29 o 74.65402 9.216111 319.9000       65.91695 0.000000       0.000000 319.9000       65.91695 ?        ?        74.65402 9.216111 ?              ?        
1 1 1 1   34 30 o 32.69772 9.913313 64.77565       34.47547 68.34000       45.96090 60.19000       52.13133 32.92423 11.54196 31.49758 12.07452 1.426647       16.70362 
1 1 1 1   34 31 o 29.48403 9.630845 51.51810       31.96729 43.89000       40.35991 64.36000       52.36686 28.06404 10.65659 32.10236 12.15048 -4.038317      16.16159 
1 1 1 1   34 32 o 46.65306 7.687516 122.0467       33.88360 111.4000       43.48586 138.5000       54.05876 42.17262 10.55926 45.73863 11.94648 -3.566017      15.94416 
1 1 1 1   34 33 o 16.21225 7.527074 -16.22504      28.65860 8.322000       36.57230 -55.28000      46.13078 21.41241 9.321782 17.58920 8.538975 3.823204       12.64159 
1 1 1 1   34 34 o 29.53176 9.191289 52.62830       29.39662 50.60000       36.88445 56.16000       48.67075 28.84630 10.31784 30.07422 11.63068 -1.227917      15.54769 
1 1 1 1   34 35 o 27.93871 9.199059 46.60903       29.14057 65.30000       36.81229 15.24000       47.69002 32.10062 10.32316 24.12574 10.57080 7.974878       14.77530 
1 1 1 1   34 36 o 41.57237 8.225609 100.2088       32.28618 112.4000       42.49350 83.56000       49.65826 42.16838 10.36874 34.85173 12.01000 7.316643       15.86665 
1 1 1 1   34 37 o 27.17311 9.374418 43.91416       30.25781 29.28000       39.15089 65.62000       47.68108 24.85394 10.15615 31.51591 11.66177 -6.661966      15.46428 
1 1 1 1   34 38 o 32.38364 10.88594 68.81000       40.76240 68.81000       40.76240 0.000000       0.000000 32.38364 10.88594 ?        ?        ?              ?        
1 1 1 1   34 39 o 17.19823 7.821398 -7.728319      28.80796 8.346000       37.36087 -31.30000      45.24244 21.37177 9.360410 18.94655 8.999508 2.425228       12.98493 
1 1 1 1   34 40 o 29.51613 11.52417 55.28000       48.13785 0.000000       0.000000 55.28000       48.13785 ?        ?        29.51613 11.52417 ?              ?        
1 1 1 1   34 41 o 19.06534 8.266478 6.122868       28.52019 -23.04000      36.37781 52.64000       45.94390 17.48718 8.235025 28.92345 11.26831 -11.43627      13.95673 
1 1 1 1   34 42 o 17.19291 7.792603 -5.945916      28.30120 -3.759000      35.85188 -9.562000      46.10151 19.36141 8.773582 20.84201 9.631156 -1.480602      13.02824 
1 1 1 1   34 43 o 22.56818 8.828303 25.95761       28.29460 32.33000       35.83659 15.41000       46.10550 24.58637 9.834163 23.34084 10.30408 1.245537       14.24376 
1 1 1 1   34 44 o 39.25270 7.998215 91.48942       29.68617 72.11000       37.29494 125.0000       49.04227 32.65170 10.37910 41.93074 11.57149 -9.279037      15.54430 
1 1 1 1   34 45 o 22.04209 9.949111 7.310000       45.56898 0.000000       0.000000 7.310000       45.56898 ?        ?        22.04209 9.949111 ?              ?        
1 1 1 1   35 0  o 51.40897 6.135600 135.8096       30.26590 0.000000       0.000000 135.8096       30.26590 ?        ?        51.40897 6.135600 ?              ?        
1 1 1 1   35 1  o 67.76989 4.446415 230.0878       29.33239 0.000000       0.000000 230.0878       29.33239 ?        ?        67.76989 4.446415 ?              ?        
1 1 1 1   35 2  o 94.93210 4.061912 449.0478       37.65692 353.5000       60.57107 509.2443       48.07735 82.37640 7.597557 100.7089 4.891788 -18.33246      9.036175 
1 1 1 1   35 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   35 4  o 59.79525 4.092185 178.7022       23.80687 0.000000       0.000000 178.7022       23.80687 ?        ?        59.79525 4.092185 ?              ?        
1 1 1 1   35 5  o 49.33025 5.373917 123.8691       25.52939 0.000000       0.000000 123.8691       25.52939 ?        ?        49.33025 5.373917 ?              ?        
1 1 1 1   35 6  o 38.83692 5.566845 77.52808       20.55784 70.25000       39.53590 80.22515       24.06736 35.44690 10.58695 39.19705 6.500537 -3.750149      12.42339 
1 1 1 1   35 7  o 62.13790 3.984936 192.8032       24.10954 190.8000       47.64164 193.4928       27.95316 59.87578 8.356146 62.03288 4.637209 -2.157104      9.556615 
1 1 1 1   35 8  o 45.78504 4.870725 106.2208       21.49384 90.38000       44.74481 110.9725       24.50645 39.78918 11.08054 46.60463 5.476503 -6.815449      12.36003 
1 1 1 1   35 9  o 43.11230 4.990912 94.51821       20.67284 128.8000       44.45584 85.05965       23.35122 48.23762 9.751067 40.50452 6.077091 7.733097       11.48975 
1 1 1 1   35 10 o 51.15657 4.314973 131.5797       21.40529 150.5000       45.96613 126.3407       24.18798 52.42805 9.297525 49.88689 5.021695 2.541161       10.56700 
1 1 1 1   35 11 o 63.17169 3.726053 199.0739       22.93742 233.5000       50.62901 190.1829       25.72944 66.33676 7.955728 61.54774 4.297833 4.789017       9.042399 
1 1 1 1   35 12 o 57.88272 4.154985 168.1379       23.38438 177.7000       48.11323 165.1805       26.75732 57.14840 8.890053 57.12209 4.830803 0.2630234E-01  10.11779 
1 1 1 1   35 13 o 28.23492 8.651243 43.28869       26.16422 109.3000       42.63820 3.420000       33.13642 43.84548 10.13754 20.84870 8.974426 22.99678       13.53920 
1 1 1 1   35 14 o 78.14524 5.511827 311.8302       41.88988 302.0000       55.54061 324.8000       63.79616 75.50134 7.619495 77.58735 8.541492 -2.086006      11.44613 
1 1 1 1   35 15 o 55.30734 4.876093 155.5370       26.12734 0.000000       0.000000 155.5370       26.12734 ?        ?        55.30734 4.876093 ?              ?        
1 1 1 1   35 16 o 31.39937 4.938381 50.95772       14.67730 35.57000       40.78870 53.24653       15.73104 27.59576 10.65399 32.02514 5.196279 -4.429379      11.85365 
1 1 1 1   35 17 o 49.22164 3.409371 121.1411       16.32467 115.8000       43.89888 121.9982       17.58585 44.61612 10.26562 49.31419 3.669519 -4.698063      10.90176 
1 1 1 1   35 18 o 60.03931 6.406746 189.2240       37.07016 189.3000       47.07891 189.1000       60.13624 58.66306 8.441632 56.29703 11.30604 2.366028       14.10985 
1 1 1 1   35 19 o 33.61453 9.234619 64.89843       31.31400 40.39000       38.18806 115.2000       54.70924 27.94024 10.41789 42.72747 12.37290 -14.78723      16.17471 
1 1 1 1   35 20 o 48.60331 7.200750 127.2509       33.22226 111.9000       41.12196 156.1000       56.37338 43.86532 9.822248 50.49703 11.64327 -6.631706      15.23294 
1 1 1 1   35 21 o 19.49506 8.338210 5.284245       28.26546 -4.697000      33.70938 28.92000       51.87322 19.48684 8.694605 27.54705 11.51298 -8.060211      14.42722 
1 1 1 1   35 22 o 25.28852 9.187419 33.04076       29.38203 8.862000       34.70418 94.24000       55.21254 21.62437 9.243837 38.17320 12.66611 -16.54883      15.68053 
1 1 1 1   35 23 o 16.79347 7.697439 -13.50691      28.61994 0.6640000      33.99147 -48.02000      53.04726 20.21901 8.889651 20.07850 9.594969 0.1405067      13.08011 
1 1 1 1   35 24 o 60.61720 6.340425 194.4153       37.06433 241.2000       49.07618 132.3000       56.54814 66.46342 7.685070 45.16949 12.40988 21.29393       14.59676 
1 1 1 1   35 25 o 31.58558 9.687344 58.90213       32.79641 89.70000       43.42687 18.02000       50.03397 37.98059 11.03096 25.57975 11.01950 12.40084       15.59203 
1 1 1 1   35 26 o 26.15187 10.69298 29.67000       43.43151 29.67000       43.43151 0.000000       0.000000 26.15187 10.69298 ?        ?        ?              ?        
1 1 1 1   35 27 f 34.85343 9.492982 72.47860       33.25528 67.51000       43.94077 79.14000       50.87840 32.91095 11.29911 34.92999 12.15055 -2.019032      16.59234 
1 1 1 1   35 28 o 24.91051 10.89531 14.58000       50.46469 0.000000       0.000000 14.58000       50.46469 ?        ?        24.91051 10.89531 ?              ?        
1 1 1 1   35 29 o 30.48964 11.87920 55.02000       51.06301 0.000000       0.000000 55.02000       51.06301 ?        ?        30.48964 11.87920 ?              ?        
1 1 1 1   35 30 o 21.86904 9.509818 8.945000       37.97244 8.945000       37.97244 0.000000       0.000000 21.86904 9.509818 ?        ?        ?              ?        
1 1 1 1   35 31 o 48.82066 8.945873 140.3000       41.17474 140.3000       41.17474 0.000000       0.000000 48.82066 8.945873 ?        ?        ?              ?        
1 1 1 1   35 32 o 21.34641 8.561532 19.11633       27.23807 21.53000       33.38398 14.31000       47.10925 22.84285 9.361436 23.94100 10.49758 -1.098145      14.06541 
1 1 1 1   35 33 o 80.54865 5.274524 339.8418       41.35727 347.5000       54.56191 329.5000       63.40529 79.40497 7.094638 75.16355 8.783519 4.241417       11.29088 
1 1 1 1   35 34 o 44.63349 7.555820 112.5394       31.83365 117.4000       41.04270 105.2000       50.43380 43.63108 9.844978 39.01297 12.02172 4.618107       15.53852 
1 1 1 1   35 35 o 25.77188 9.298956 38.27613       30.03319 40.44000       38.77190 35.03000       47.48807 26.70059 10.36575 26.51369 11.04331 0.1868973      15.14608 
1 1 1 1   35 36 o 20.72295 9.220885 3.016000       37.64687 3.016000       37.64687 0.000000       0.000000 20.72295 9.220885 ?        ?        ?              ?        
1 1 1 1   35 37 o 19.01898 8.301394 4.450355       29.16535 3.286000       37.04037 6.350000       47.31173 20.62083 9.162587 22.85081 10.24039 -2.229980      13.74113 
1 1 1 1   35 38 o 39.88971 11.86612 110.8000       49.74465 0.000000       0.000000 110.8000       49.74465 ?        ?        39.88971 11.86612 ?              ?        
1 1 1 1   35 39 o 36.16145 8.923492 79.75907       31.38944 94.79000       40.90478 58.23000       48.95464 37.92750 10.60631 29.84028 11.62990 8.087219       15.74003 
1 1 1 1   35 40 f 25.60917 9.175341 38.45737       29.18112 40.65000       37.20050 34.95000       47.04967 26.42280 10.18161 26.19865 10.95812 0.2241459      14.95813 
1 1 1 1   35 41 o 22.42412 8.875478 24.80506       28.89329 22.96000       37.39003 27.54000       45.52235 23.21544 9.743395 24.83629 10.60112 -1.620853      14.39852 
1 1 1 1   35 42 f 20.13043 8.379434 14.91746       27.31667 -0.5424000     34.01247 43.01000       45.84912 19.17201 8.629695 26.88023 10.98817 -7.708220      13.97182 
1 1 1 1   35 43 o 24.66278 8.889544 36.49416       27.43823 17.78000       33.74294 73.02000       47.14088 21.57559 9.165327 31.54476 11.60906 -9.969168      14.79100 
1 1 1 1   35 44 o 18.77087 8.954186 -27.30000      45.76858 0.000000       0.000000 -27.30000      45.76858 ?        ?        18.77087 8.954186 ?              ?        
1 1 1 1   36 0  o 18.38645 7.382819 9.912374       20.27872 64.86000       41.49047 -7.333345      23.24420 33.95442 10.96312 16.08411 7.195086 17.87032       13.11333 
1 1 1 1   36 1  o 82.15815 4.102581 337.6170       32.88802 0.000000       0.000000 337.6170       32.88802 ?        ?        82.15815 4.102581 ?              ?        
1 1 1 1   36 2  o 34.23366 7.441648 63.10740       24.22304 0.000000       0.000000 63.10740       24.22304 ?        ?        34.23366 7.441648 ?              ?        
1 1 1 1   36 3  o 98.56261 3.485262 482.8435       33.57142 0.000000       0.000000 482.8435       33.57142 ?        ?        98.56261 3.485262 ?              ?        
1 1 1 1   36 4  o 64.76936 4.812510 212.0541       30.29235 0.000000       0.000000 212.0541       30.29235 ?        ?        64.76936 4.812510 ?              ?        
1 1 1 1   36 5  f 74.28735 3.725182 275.2683       27.00104 0.000000       0.000000 275.2683       27.00104 ?        ?        74.28735 3.725182 ?              ?        
1 1 1 1   36 6  o 34.16559 6.504935 61.78730       20.95961 0.000000       0.000000 61.78730       20.95961 ?        ?        34.16559 6.504935 ?              ?        
1 1 1 1   36 7  o 31.92083 7.496368 55.26650       23.02041 0.000000       0.000000 55.26650       23.02041 ?        ?        31.92083 7.496368 ?              ?        
1 1 1 1   36 8  o 29.48949 6.767628 46.66122       19.12013 19.25000       38.93975 55.36963       21.94816 24.64410 10.10624 32.03444 7.177914 -7.390331      12.39591 
1 1 1 1   36 9  o 30.71399 6.771171 50.61608       19.80785 56.95000       41.42504 48.73865       22.55321 31.97840 10.97116 29.87209 7.673203 2.106302       13.38822 
1 1 1 1   36 10 o 48.70522 4.988301 121.1102       23.44563 170.1000       47.65343 105.4640       26.93063 55.44976 9.094910 44.86729 6.305902 10.58247       11.06715 
1 1 1 1   36 11 o 85.28063 3.763431 363.5934       31.33789 370.5000       60.15613 361.0209       36.71297 83.61274 7.427444 84.62646 4.447689 -1.013725      8.657301 
1 1 1 1   36 12 o 27.57112 9.685526 40.22657       32.37627 51.83000       41.22035 21.54000       52.30981 30.69044 10.91507 27.07064 11.45176 3.619795       15.82029 
1 1 1 1   36 13 o 36.73810 5.629473 70.51347       19.59962 0.000000       0.000000 70.51347       19.59962 ?        ?        36.73810 5.629473 ?              ?        
1 1 1 1   36 14 o 65.14612 5.605580 219.1963       35.39775 0.000000       0.000000 219.1963       35.39775 ?        ?        65.14612 5.605580 ?              ?        
1 1 1 1   36 15 f 63.72518 4.053401 204.6782       25.15243 230.7000       49.18119 195.4614       29.26987 65.20261 7.864646 61.87207 4.872324 3.330547       9.251605 
1 1 1 1   36 16 o 65.54517 3.311945 214.4765       21.17972 211.5000       48.39313 215.1817       23.55552 62.15093 8.151076 65.49906 3.689013 -3.348129      8.947003 
1 1 1 1   36 17 o 49.48728 3.362399 122.6226       16.19057 146.0000       41.55173 118.4380       17.58003 51.12334 8.609113 48.50546 3.731395 2.617878       9.382970 
1 1 1 1   36 18 o 39.39138 8.319312 87.22149       31.06961 92.49000       37.99594 76.59000       53.97476 39.63646 9.839369 35.06591 12.48812 4.570541       15.89863 
1 1 1 1   36 19 o 46.79382 7.280923 119.0289       32.26462 123.5000       39.60035 110.2000       55.64744 46.50294 9.025444 41.09615 12.62136 5.406796       15.51636 
1 1 1 1   36 20 o 32.42273 9.265840 61.30137       30.87442 57.01000       37.42144 70.45000       54.63867 31.10975 10.43001 33.80757 12.48835 -2.697817      16.27095 
1 1 1 1   36 21 o 32.95438 9.463854 63.94685       32.13235 48.07000       38.81182 98.54000       57.28975 29.14818 10.56363 38.51553 12.90505 -9.367348      16.67725 
1 1 1 1   36 22 o 35.92051 9.393782 76.01424       33.39729 51.37000       40.66262 127.1000       58.54469 29.85369 10.81351 43.65733 12.84394 -13.80364      16.78985 
1 1 1 1   36 23 o 34.09438 9.560914 69.13548       33.18975 59.31000       40.98656 87.85000       56.56583 31.39372 10.90648 36.42955 12.80188 -5.035833      16.81783 
1 1 1 1   36 24 o 34.75860 11.25701 76.48000       43.72422 76.48000       43.72422 0.000000       0.000000 34.75860 11.25701 ?        ?        ?              ?        
1 1 1 1   36 25 o 30.02572 9.738759 53.60139       32.71814 76.07000       42.12295 19.43000       51.94720 34.71889 11.02980 25.74844 11.16034 8.970459       15.69107 
1 1 1 1   36 26 o 27.48986 9.652223 43.45398       32.15129 4.223000       41.45112 102.7000       50.93910 22.03728 9.747468 39.19391 12.08256 -17.15663      15.52422 
1 1 1 1   36 27 o 63.94987 9.981160 244.6000       60.43811 0.000000       0.000000 244.6000       60.43811 ?        ?        63.94987 9.981160 ?              ?        
1 1 1 1   36 28 o 26.57680 9.517946 40.32878       31.39745 28.46000       40.07249 59.20000       50.52929 25.08659 10.26588 30.82823 11.86963 -5.741644      15.69320 
1 1 1 1   36 29 o 18.52229 8.177714 0.6637792      29.04717 2.714000       36.90110 -2.676000      47.09751 20.66765 9.166463 22.05754 10.01927 -1.389883      13.57976 
1 1 1 1   36 30 o 44.25678 7.498285 110.4472       31.32387 133.2000       39.89396 73.87000       50.58194 47.46030 8.914831 32.99817 12.04457 14.46214       14.98485 
1 1 1 1   36 31 o 35.32236 11.96631 86.64000       49.25500 0.000000       0.000000 86.64000       49.25500 ?        ?        35.32236 11.96631 ?              ?        
1 1 1 1   36 32 o 15.14096 7.178399 -25.11395      28.52199 -20.79000      35.58712 -32.88000      47.69279 17.61798 8.248410 19.40998 9.225483 -1.792004      12.37521 
1 1 1 1   36 33 o 20.88925 9.249804 4.709000       37.42616 4.709000       37.42616 0.000000       0.000000 20.88925 9.249804 ?        ?        ?              ?        
1 1 1 1   36 34 o 22.84412 9.042171 25.02987       29.99020 9.145000       38.40317 49.86000       48.01366 21.65087 9.486166 28.69578 11.41440 -7.044914      14.84170 
1 1 1 1   36 35 o 27.76438 10.47100 46.67000       38.81073 46.67000       38.81073 0.000000       0.000000 27.76438 10.47100 ?        ?        ?              ?        
1 1 1 1   36 36 o 48.71752 7.086356 132.7163       32.80208 136.2000       42.52762 127.6000       51.53858 47.08742 9.553976 42.89927 11.87146 4.188152       15.23843 
1 1 1 1   36 37 o 32.14087 11.89593 72.04000       49.62054 0.000000       0.000000 72.04000       49.62054 ?        ?        32.14087 11.89593 ?              ?        
1 1 1 1   36 38 o 33.52612 9.127552 69.75210       30.75196 74.24000       39.40397 62.76000       49.18382 33.32961 10.67665 30.46164 11.71520 2.867973       15.85045 
1 1 1 1   36 39 o 34.14882 9.004700 72.13686       30.52343 86.54000       39.37209 50.44000       48.32348 36.08683 10.50985 28.38762 11.39741 7.699211       15.50348 
1 1 1 1   36 40 o 26.75138 9.124085 44.06393       28.64146 48.52000       35.94961 36.32000       47.39137 27.65627 10.14458 26.05850 10.95502 1.597767       14.93067 
1 1 1 1   36 41 o 32.78331 8.861191 67.40366       29.10744 74.87000       35.97034 53.24000       49.54256 33.42728 10.12416 28.31254 11.47853 5.114740       15.30540 
1 1 1 1   36 42 o 23.71817 10.39771 22.41000       46.19549 0.000000       0.000000 22.41000       46.19549 ?        ?        23.71817 10.39771 ?              ?        
1 1 1 1   37 0  o 34.55461 6.129275 63.07032       19.97196 52.91000       39.75254 66.50082       23.09882 30.87446 10.74016 35.16313 6.957578 -4.288668      12.79684 
1 1 1 1   37 1  o 102.8362 3.950778 529.7237       39.69412 0.000000       0.000000 529.7237       39.69412 ?        ?        102.8362 3.950778 ?              ?        
1 1 1 1   37 2  o 52.36115 5.241801 140.6259       26.50475 0.000000       0.000000 140.6259       26.50475 ?        ?        52.36115 5.241801 ?              ?        
1 1 1 1   37 3  o 53.52893 5.163778 146.7555       26.72049 0.000000       0.000000 146.7555       26.72049 ?        ?        53.52893 5.163778 ?              ?        
1 1 1 1   37 4  o 80.72833 3.640272 325.6839       28.69111 0.000000       0.000000 325.6839       28.69111 ?        ?        80.72833 3.640272 ?              ?        
1 1 1 1   37 5  o 30.73119 8.236821 52.59414       25.27896 0.000000       0.000000 52.59414       25.27896 ?        ?        30.73119 8.236821 ?              ?        
1 1 1 1   37 6  o 33.40757 6.608498 59.86305       20.84429 0.000000       0.000000 59.86305       20.84429 ?        ?        33.40757 6.608498 ?              ?        
1 1 1 1   37 7  o 55.83314 4.323835 157.7597       23.44618 0.000000       0.000000 157.7597       23.44618 ?        ?        55.83314 4.323835 ?              ?        
1 1 1 1   37 8  o 21.95959 7.584773 24.35900       19.80990 0.000000       0.000000 24.35900       19.80990 ?        ?        21.95959 7.584773 ?              ?        
1 1 1 1   37 9  o 37.59126 7.539047 77.46045       26.77402 0.000000       0.000000 77.46045       26.77402 ?        ?        37.59126 7.539047 ?              ?        
1 1 1 1   37 10 o 24.60659 9.969405 23.24000       37.34328 23.24000       37.34328 0.000000       0.000000 24.60659 9.969405 ?        ?        ?              ?        
1 1 1 1   37 11 o 43.57850 4.714177 97.28777       19.78896 105.5000       41.76923 94.91099       22.47087 42.27503 10.21006 42.69945 5.504308 -0.4244194     11.59925 
1 1 1 1   37 12 o 27.38428 7.179869 41.24585       19.47746 0.000000       0.000000 41.24585       19.47746 ?        ?        27.38428 7.179869 ?              ?        
1 1 1 1   37 13 o 73.14404 3.383371 267.4154       24.15776 291.4000       52.57619 260.9965       27.19894 73.57869 7.400544 72.02723 3.872117 1.551460       8.352325 
1 1 1 1   37 14 o 24.64216 8.082640 32.86105       22.50512 32.42000       37.62228 33.10681       28.08375 26.13962 10.19313 25.16809 9.003048 0.9715271      13.59981 
1 1 1 1   37 15 o 83.53803 3.211380 348.2579       26.21034 306.6000       54.55504 360.7589       29.88539 75.22277 7.509589 84.81299 3.608143 -9.590218      8.331424 
1 1 1 1   37 16 o 23.68476 6.296773 30.43182       14.84809 91.60000       38.86054 19.97531       16.06717 39.14032 10.08179 19.91085 6.832621 19.22947       12.17896 
1 1 1 1   37 17 f 46.09376 3.471997 106.8231       15.54975 150.5000       43.13718 100.3001       16.67051 51.43127 8.890259 44.51526 3.864140 6.916012       9.693724 
1 1 1 1   37 18 o 26.43387 9.590764 37.60293       32.00415 58.43000       40.71013 3.905000       51.78333 31.29056 10.86970 24.21770 10.79275 7.072857       15.31776 
1 1 1 1   37 19 o 63.81771 6.182463 215.1781       38.13652 238.6000       49.77979 181.9000       59.33651 65.77376 7.889289 53.96820 11.57940 11.80556       14.01154 
1 1 1 1   37 20 o 30.32499 9.661645 54.26411       32.30188 72.99000       40.80188 22.82000       52.87235 34.31286 10.84992 26.43928 11.35797 7.873585       15.70745 
1 1 1 1   37 21 o 62.12137 6.307184 205.4008       37.82047 209.9000       48.89583 198.7000       59.67182 60.99319 8.413912 56.61662 11.16452 4.376575       13.98000 
1 1 1 1   37 22 o 51.87263 7.246625 147.5437       35.79154 181.5000       46.45582 97.95000       56.14275 56.35770 8.701188 37.88473 12.77581 18.47298       15.45743 
1 1 1 1   37 23 o 29.73213 10.62183 52.99000       39.07774 52.99000       39.07774 0.000000       0.000000 29.73213 10.62183 ?        ?        ?              ?        
1 1 1 1   37 24 o 41.21524 8.276392 97.44485       32.22827 84.65000       40.54583 119.4000       53.11251 36.59985 10.66710 42.14073 12.18743 -5.540878      16.19631 
1 1 1 1   37 25 o 27.70576 11.35707 39.19000       49.14930 0.000000       0.000000 39.19000       49.14930 ?        ?        27.70576 11.35707 ?              ?        
1 1 1 1   37 26 o 38.41878 8.899703 87.78621       32.80998 48.31000       42.25848 147.7000       52.06065 28.58544 10.89255 47.70720 11.31994 -19.12176      15.70951 
1 1 1 1   37 27 o 21.73953 8.808134 19.56693       29.15145 9.015000       37.11467 36.56000       47.09944 21.50814 9.376642 26.82865 11.07017 -5.320505      14.50759 
1 1 1 1   37 28 o 30.57287 9.160094 57.01057       29.56160 89.68000       38.01837 7.056000       47.01217 37.64257 10.10660 22.97438 10.25810 14.66819       14.40042 
1 1 1 1   37 29 o 14.88945 7.046543 -23.32984      27.24969 -22.26000      33.97233 -25.26000      45.63130 17.00421 7.992144 19.53028 9.205149 -2.526068      12.19053 
1 1 1 1   37 30 o 22.88075 8.885345 25.92259       28.49440 48.84000       35.87733 -13.23000      46.89403 28.28779 10.16905 20.86417 9.666667 7.423615       14.03047 
1 1 1 1   37 31 o 18.91489 8.237922 4.810081       28.58716 17.17000       36.33185 -15.28000      46.32021 22.41070 9.514877 20.48421 9.530487 1.926489       13.46711 
1 1 1 1   37 32 o 38.38803 8.680295 88.19218       31.84885 117.8000       41.73967 46.93000       49.27445 43.22960 10.05463 28.24282 11.44846 14.98677       15.23689 
1 1 1 1   37 33 o 18.36626 8.819550 -40.20000      46.03538 0.000000       0.000000 -40.20000      46.03538 ?        ?        18.36626 8.819550 ?              ?        
1 1 1 1   37 34 o 20.34003 9.226908 -2.986000      39.78123 -2.986000      39.78123 0.000000       0.000000 20.34003 9.226908 ?        ?        ?              ?        
1 1 1 1   37 35 o 22.24489 9.624554 14.30000       38.49498 14.30000       38.49498 0.000000       0.000000 22.24489 9.624554 ?        ?        ?              ?        
1 1 1 1   37 36 f 25.83237 10.94209 32.72000       47.86017 0.000000       0.000000 32.72000       47.86017 ?        ?        25.83237 10.94209 ?              ?        
1 1 1 1   37 37 o 35.06441 8.852881 75.38979       30.38484 107.0000       38.58094 23.76000       49.30708 41.15617 9.731215 24.82244 10.81478 16.33372       14.54840 
1 1 1 1   37 38 o 35.04582 8.741896 75.56869       29.88674 60.57000       37.29171 102.5000       49.97057 30.18108 10.40736 37.28917 12.03070 -7.108086      15.90757 
1 1 1 1   37 39 o 21.54630 8.597591 22.45561       27.32487 11.57000       33.75498 43.15000       46.54121 20.69885 8.983853 26.77670 11.02203 -6.077843      14.21952 
1 1 1 1   37 40 o 28.43576 11.37551 55.82000       47.95773 0.000000       0.000000 55.82000       47.95773 ?        ?        28.43576 11.37551 ?              ?        
1 1 1 1   37 41 o 17.42317 7.852097 -1.656300      28.25728 0.000000       0.000000 -1.656300      28.25728 ?        ?        17.42317 7.852097 ?              ?        
1 1 1 1   38 0  o 52.37122 4.278615 139.1277       21.74221 0.000000       0.000000 139.1277       21.74221 ?        ?        52.37122 4.278615 ?              ?        
1 1 1 1   38 1  o 41.40422 5.205490 88.82517       20.63143 0.000000       0.000000 88.82517       20.63143 ?        ?        41.40422 5.205490 ?              ?        
1 1 1 1   38 2  o 38.37590 5.663877 77.23532       20.63679 0.000000       0.000000 77.23532       20.63679 ?        ?        38.37590 5.663877 ?              ?        
1 1 1 1   38 3  o 50.01411 5.262478 129.2568       25.37698 0.000000       0.000000 129.2568       25.37698 ?        ?        50.01411 5.262478 ?              ?        
1 1 1 1   38 4  o 52.62366 5.156212 142.7294       26.21886 0.000000       0.000000 142.7294       26.21886 ?        ?        52.62366 5.156212 ?              ?        
1 1 1 1   38 5  o 54.99160 4.321705 153.5292       23.07578 0.000000       0.000000 153.5292       23.07578 ?        ?        54.99160 4.321705 ?              ?        
1 1 1 1   38 6  o 40.76468 6.565438 88.97346       25.30754 0.000000       0.000000 88.97346       25.30754 ?        ?        40.76468 6.565438 ?              ?        
1 1 1 1   38 7  o 72.80690 3.680785 266.1056       26.14616 0.000000       0.000000 266.1056       26.14616 ?        ?        72.80690 3.680785 ?              ?        
1 1 1 1   38 8  o 46.03021 11.29281 130.6000       50.49052 0.000000       0.000000 130.6000       50.49052 ?        ?        46.03021 11.29281 ?              ?        
1 1 1 1   38 9  o 22.78176 7.512699 27.56226       19.43316 0.000000       0.000000 27.56226       19.43316 ?        ?        22.78176 7.512699 ?              ?        
1 1 1 1   38 10 o 33.71777 6.200895 60.98869       19.71145 0.000000       0.000000 60.98869       19.71145 ?        ?        33.71777 6.200895 ?              ?        
1 1 1 1   38 11 o 49.13774 4.941431 124.4487       23.44464 0.000000       0.000000 124.4487       23.44464 ?        ?        49.13774 4.941431 ?              ?        
1 1 1 1   38 12 o 37.30552 5.124508 72.50124       18.21854 94.12000       40.13029 66.88885       20.44708 39.46238 10.28606 35.36351 6.129024 4.098873       11.97363 
1 1 1 1   38 13 o 26.11010 6.364088 37.17875       16.11459 20.97000       36.77208 41.03145       17.92774 23.82440 9.800986 27.31476 6.745834 -3.490362      11.89814 
1 1 1 1   38 14 o 56.70975 4.647287 164.7553       25.57057 171.3000       45.56197 161.7461       30.89493 54.91620 8.771024 55.53036 5.767879 -0.6141624     10.49758 
1 1 1 1   38 15 o 31.17552 5.091369 50.99887       15.00079 104.5000       41.22363 42.83329       16.10490 41.56490 10.20801 28.16028 6.024862 13.40462       11.85337 
1 1 1 1   38 16 o 29.02018 5.879404 45.29226       16.12792 132.0000       42.88247 31.00698       17.40585 47.36516 9.578977 23.75322 7.007295 23.61194       11.86840 
1 1 1 1   38 17 o 70.05199 3.145673 245.3326       21.51448 225.2000       52.53619 249.3893       23.58262 62.88658 8.773308 70.49147 3.428100 -7.604893      9.419278 
1 1 1 1   38 18 o 65.13248 6.212980 225.5379       39.13054 238.7000       52.29998 208.8000       58.97775 64.97279 8.421573 58.43368 10.70583 6.539108       13.62122 
1 1 1 1   38 19 o 23.58160 9.254667 25.74142       31.17840 18.49000       40.23531 36.64000       49.32652 23.77747 10.05033 27.60606 11.35351 -3.828590      15.16283 
1 1 1 1   38 20 o 64.49777 6.041406 220.8543       37.69682 239.4000       49.77102 195.9000       57.73351 65.40244 7.936810 56.14920 10.89769 9.253235       13.48156 
1 1 1 1   38 21 o 46.51521 9.879840 131.0000       43.59291 131.0000       43.59291 0.000000       0.000000 46.51521 9.879840 ?        ?        ?              ?        
1 1 1 1   38 22 o 55.28048 8.601371 176.0000       45.02889 176.0000       45.02889 0.000000       0.000000 55.28048 8.601371 ?        ?        ?              ?        
1 1 1 1   38 23 o 24.72625 9.173444 33.08760       29.53915 38.27000       37.57241 24.70000       47.79941 26.45265 10.22194 25.41287 10.85556 1.039776       14.91077 
1 1 1 1   38 24 o 39.10024 12.05139 106.0000       50.67949 0.000000       0.000000 106.0000       50.67949 ?        ?        39.10024 12.05139 ?              ?        
1 1 1 1   38 25 o 13.80561 6.628057 -29.98488      25.96759 -13.32000      32.05330 -61.81000      44.29520 17.45423 8.053225 16.64541 8.143519 0.8088169      11.45300 
1 1 1 1   38 26 o 25.70798 9.102053 38.35141       28.63568 56.64000       36.28803 8.166000       46.61996 29.93086 10.26841 22.95397 10.23434 6.976891       14.49765 
1 1 1 1   38 27 o 24.78173 9.123930 34.42429       29.12339 56.24000       36.97074 -1.251000      47.27779 29.79056 10.35789 22.03309 10.02002 7.757463       14.41134 
1 1 1 1   38 28 o 24.71103 9.097126 34.10798       28.95151 55.03000       37.02122 1.168000       46.45266 29.54658 10.35876 22.15766 10.01904 7.388924       14.41128 
1 1 1 1   38 29 o 17.41237 7.831632 -3.940823      27.95188 -11.32000      35.33290 8.402000       45.69646 18.42947 8.485882 22.72396 10.13208 -4.294489      13.21625 
1 1 1 1   38 30 o 45.11345 7.670611 116.4989       32.66076 148.3000       42.72957 71.81000       50.65330 49.58134 9.141191 32.15612 11.99663 17.42521       15.08246 
1 1 1 1   38 31 o 20.93232 8.710279 15.97731       29.50196 31.89000       37.29731 -10.62000      48.21971 24.83633 9.998593 21.16450 9.804609 3.671824       14.00365 
1 1 1 1   38 32 o 34.38931 10.65884 78.73000       39.57915 78.73000       39.57915 0.000000       0.000000 34.38931 10.65884 ?        ?        ?              ?        
1 1 1 1   38 33 o 37.43193 8.832803 85.18793       31.83731 115.8000       41.08753 39.19000       50.36546 42.67853 10.00970 26.97839 11.31458 15.70014       15.10675 
1 1 1 1   38 34 o 47.97918 11.52712 157.5000       53.45738 0.000000       0.000000 157.5000       53.45738 ?        ?        47.97918 11.52712 ?              ?        
1 1 1 1   38 35 f 46.58922 7.481117 124.2785       32.96149 118.2000       42.64371 133.3000       51.95155 42.62069 10.33071 43.41098 11.88204 -0.7902870     15.74504 
1 1 1 1   38 36 o 42.83091 12.00907 132.7000       52.36702 0.000000       0.000000 132.7000       52.36702 ?        ?        42.83091 12.00907 ?              ?        
1 1 1 1   38 37 o 31.99184 10.27156 69.05000       36.45553 69.05000       36.45553 0.000000       0.000000 31.99184 10.27156 ?        ?        ?              ?        
1 1 1 1   38 38 o 36.96135 12.15891 105.4000       50.91399 0.000000       0.000000 105.4000       50.91399 ?        ?        36.96135 12.15891 ?              ?        
1 1 1 1   38 39 o 21.45060 8.678843 22.42384       28.25669 0.000000       0.000000 22.42384       28.25669 ?        ?        21.45060 8.678843 ?              ?        
1 1 1 1   39 0  o 24.52515 7.241293 33.10891       18.58107 0.000000       0.000000 33.10891       18.58107 ?        ?        24.52515 7.241293 ?              ?        
1 1 1 1   39 1  o 35.92435 5.805925 68.45232       19.71978 0.000000       0.000000 68.45232       19.71978 ?        ?        35.92435 5.805925 ?              ?        
1 1 1 1   39 2  o 84.36398 3.470313 356.6640       28.59590 0.000000       0.000000 356.6640       28.59590 ?        ?        84.36398 3.470313 ?              ?        
1 1 1 1   39 3  o 43.20232 5.136980 96.94733       21.29821 0.000000       0.000000 96.94733       21.29821 ?        ?        43.20232 5.136980 ?              ?        
1 1 1 1   39 4  o 46.24046 5.839002 112.6827       25.84001 0.000000       0.000000 112.6827       25.84001 ?        ?        46.24046 5.839002 ?              ?        
1 1 1 1   39 5  o 19.01766 7.403146 14.45510       19.81831 0.000000       0.000000 14.45510       19.81831 ?        ?        19.01766 7.403146 ?              ?        
1 1 1 1   39 6  o 51.63407 10.42162 160.2000       50.85410 0.000000       0.000000 160.2000       50.85410 ?        ?        51.63407 10.42162 ?              ?        
1 1 1 1   39 7  o 52.93081 6.197734 148.7058       31.50322 0.000000       0.000000 148.7058       31.50322 ?        ?        52.93081 6.197734 ?              ?        
1 1 1 1   39 8  o 33.87630 6.290146 61.93690       20.08986 0.000000       0.000000 61.93690       20.08986 ?        ?        33.87630 6.290146 ?              ?        
1 1 1 1   39 9  o 27.91181 7.572844 43.80633       21.21123 0.000000       0.000000 43.80633       21.21123 ?        ?        27.91181 7.572844 ?              ?        
1 1 1 1   39 10 o 19.05460 7.422535 14.62697       19.93290 0.000000       0.000000 14.62697       19.93290 ?        ?        19.05460 7.422535 ?              ?        
1 1 1 1   39 11 o 49.21393 4.207087 123.4491       20.07217 0.000000       0.000000 123.4491       20.07217 ?        ?        49.21393 4.207087 ?              ?        
1 1 1 1   39 12 f 14.53470 6.225687 1.505308       15.79941 0.000000       0.000000 1.505308       15.79941 ?        ?        14.53470 6.225687 ?              ?        
1 1 1 1   39 13 o 48.59240 4.023330 120.0874       18.96503 0.000000       0.000000 120.0874       18.96503 ?        ?        48.59240 4.023330 ?              ?        
1 1 1 1   39 14 o 28.10403 6.461189 43.44102       17.40197 0.000000       0.000000 43.44102       17.40197 ?        ?        28.10403 6.461189 ?              ?        
1 1 1 1   39 15 o 48.86731 4.139513 121.8427       19.61429 0.000000       0.000000 121.8427       19.61429 ?        ?        48.86731 4.139513 ?              ?        
1 1 1 1   39 16 o 41.18341 4.611950 87.70462       18.27251 94.48000       38.93414 85.79073       20.69299 39.15842 10.09385 40.35282 5.372284 -1.194393      11.43447 
1 1 1 1   39 17 o 27.70562 4.933210 40.56877       12.88788 38.00000       36.15265 40.94273       13.79414 26.42159 10.07327 27.69724 5.280749 -1.275648      11.37353 
1 1 1 1   39 18 o 33.23171 9.134751 66.29467       30.63027 62.03000       38.72668 73.42000       50.05758 31.48982 10.61075 33.33375 12.00807 -1.843924      16.02442 
1 1 1 1   39 19 o 55.06804 6.548119 164.3785       34.60538 163.7000       44.64205 165.4000       54.77725 52.87580 8.944031 50.67017 11.32914 2.205627       14.43417 
1 1 1 1   39 20 o 23.80888 9.803767 24.11000       36.83804 24.11000       36.83804 0.000000       0.000000 23.80888 9.803767 ?        ?        ?              ?        
1 1 1 1   39 21 o 21.66638 8.741371 19.84202       28.57498 32.59000       36.00939 -1.837000      46.95856 25.09192 9.915593 22.02167 10.00356 3.070248       14.08511 
1 1 1 1   39 22 o 26.01455 10.97741 31.22000       47.86898 0.000000       0.000000 31.22000       47.86898 ?        ?        26.01455 10.97741 ?              ?        
1 1 1 1   39 23 f 47.47099 7.306663 126.7861       32.86385 131.8000       42.58170 119.4000       51.68203 46.20171 9.724063 41.30313 12.04476 4.898582       15.48010 
1 1 1 1   39 24 o 22.99200 8.761259 27.50085       27.33954 34.18000       33.70361 14.65000       46.75002 25.01792 9.677644 23.63511 10.40724 1.382811       14.21152 
1 1 1 1   39 25 o 40.67491 7.887988 95.66695       30.27141 104.7000       38.68522 81.40000       48.61760 40.91550 9.790510 34.12702 11.87715 6.788483       15.39223 
1 1 1 1   39 26 f 28.15440 9.123796 48.28880       28.72022 73.31000       36.85877 9.619000       45.82186 33.64006 10.26068 22.90311 10.18301 10.73695       14.45598 
1 1 1 1   39 27 o 20.44121 8.573346 13.90003       28.91938 44.79000       36.96889 -34.81000      46.42339 27.20925 10.22863 18.80206 8.982520 8.407188       13.61288 
1 1 1 1   39 28 o 42.32732 7.819625 103.6959       31.20447 84.89000       39.55172 134.7000       50.78415 35.81477 10.56229 44.33113 11.57907 -8.516369      15.67280 
1 1 1 1   39 29 o 31.31707 9.270781 61.30406       30.42342 128.8000       39.48458 -37.32000      47.72876 46.05265 9.082101 18.85992 9.036447 27.19272       12.81179 
1 1 1 1   39 30 o 25.30758 9.182804 37.43489       29.34008 36.26000       36.98349 39.43000       48.19386 25.50792 10.05850 26.81569 11.14346 -1.307772      15.01166 
1 1 1 1   39 31 o 28.68632 10.19964 52.43000       35.99168 52.43000       35.99168 0.000000       0.000000 28.68632 10.19964 ?        ?        ?              ?        
1 1 1 1   39 32 o 27.38161 9.093542 46.26397       28.45725 40.55000       35.14641 57.14000       48.48943 26.08656 9.935328 29.30559 11.52919 -3.219028      15.21950 
1 1 1 1   39 33 o 29.24059 11.62071 56.81000       49.72195 0.000000       0.000000 56.81000       49.72195 ?        ?        29.24059 11.62071 ?              ?        
1 1 1 1   39 34 o 27.82307 11.36696 48.76000       49.02938 0.000000       0.000000 48.76000       49.02938 ?        ?        27.82307 11.36696 ?              ?        
1 1 1 1   39 35 o 21.80792 9.921435 3.589000       46.40791 0.000000       0.000000 3.589000       46.40791 ?        ?        21.80792 9.921435 ?              ?        
1 1 1 1   39 36 o 23.08494 8.946219 29.68112       28.84091 0.000000       0.000000 29.68112       28.84091 ?        ?        23.08494 8.946219 ?              ?        
1 1 1 1   39 37 o 19.11054 8.173627 11.07011       27.15994 0.000000       0.000000 11.07011       27.15994 ?        ?        19.11054 8.173627 ?              ?        
1 1 1 1   40 0  o 25.62578 7.154595 36.62123       18.62908 0.000000       0.000000 36.62123       18.62908 ?        ?        25.62578 7.154595 ?              ?        
1 1 1 1   40 1  o 43.60227 4.909835 98.60056       20.59089 0.000000       0.000000 98.60056       20.59089 ?        ?        43.60227 4.909835 ?              ?        
1 1 1 1   40 2  o 55.15234 4.139704 154.7944       22.18496 0.000000       0.000000 154.7944       22.18496 ?        ?        55.15234 4.139704 ?              ?        
1 1 1 1   40 3  o 37.03800 6.922291 75.38100       24.17345 0.000000       0.000000 75.38100       24.17345 ?        ?        37.03800 6.922291 ?              ?        
1 1 1 1   40 4  o 31.19784 6.865798 53.83806       20.39658 0.000000       0.000000 53.83806       20.39658 ?        ?        31.19784 6.865798 ?              ?        
1 1 1 1   40 5  o 30.66531 9.155892 55.63734       29.57363 0.000000       0.000000 55.63734       29.57363 ?        ?        30.66531 9.155892 ?              ?        
1 1 1 1   40 6  o 38.89084 6.249873 81.48095       22.98579 0.000000       0.000000 81.48095       22.98579 ?        ?        38.89084 6.249873 ?              ?        
1 1 1 1   40 7  o 27.41281 7.904368 42.91265       22.37224 0.000000       0.000000 42.91265       22.37224 ?        ?        27.41281 7.904368 ?              ?        
1 1 1 1   40 8  f 18.34104 7.855895 5.221684       25.15589 0.000000       0.000000 5.221684       25.15589 ?        ?        18.34104 7.855895 ?              ?        
1 1 1 1   40 9  o 18.19154 7.141631 12.95044       18.57151 0.000000       0.000000 12.95044       18.57151 ?        ?        18.19154 7.141631 ?              ?        
1 1 1 1   40 10 o 53.70776 4.167832 147.2003       21.73919 0.000000       0.000000 147.2003       21.73919 ?        ?        53.70776 4.167832 ?              ?        
1 1 1 1   40 11 o 17.67037 6.830353 12.79535       16.77979 0.000000       0.000000 12.79535       16.77979 ?        ?        17.67037 6.830353 ?              ?        
1 1 1 1   40 12 o 46.93688 4.243485 112.9222       19.28551 0.000000       0.000000 112.9222       19.28551 ?        ?        46.93688 4.243485 ?              ?        
1 1 1 1   40 13 o 23.24348 6.713116 29.96351       16.12474 0.000000       0.000000 29.96351       16.12474 ?        ?        23.24348 6.713116 ?              ?        
1 1 1 1   40 14 o 35.27543 5.003427 65.35751       16.79196 0.000000       0.000000 65.35751       16.79196 ?        ?        35.27543 5.003427 ?              ?        
1 1 1 1   40 15 o 27.71010 7.813786 44.30324       22.10402 0.000000       0.000000 44.30324       22.10402 ?        ?        27.71010 7.813786 ?              ?        
1 1 1 1   40 16 o 31.75671 5.693740 54.37661       17.04845 0.000000       0.000000 54.37661       17.04845 ?        ?        31.75671 5.693740 ?              ?        
1 1 1 1   40 17 o 72.81286 3.184689 266.3271       22.64278 0.000000       0.000000 266.3271       22.64278 ?        ?        72.81286 3.184689 ?              ?        
1 1 1 1   40 18 o 39.11538 11.07715 101.9000       44.32550 0.000000       0.000000 101.9000       44.32550 ?        ?        39.11538 11.07715 ?              ?        
1 1 1 1   40 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   40 20 o 25.72166 10.89417 30.53000       47.43436 0.000000       0.000000 30.53000       47.43436 ?        ?        25.72166 10.89417 ?              ?        
1 1 1 1   40 21 o 25.81630 11.00481 30.59000       48.94014 0.000000       0.000000 30.59000       48.94014 ?        ?        25.81630 11.00481 ?              ?        
1 1 1 1   40 22 o 16.94724 7.570984 -2.554474      25.64418 -32.88000      30.10592 77.62000       48.95148 14.82834 7.123646 33.27091 11.88799 -18.44258      13.85896 
1 1 1 1   40 23 o 38.96333 7.770304 87.79252       28.59479 84.70000       34.96293 94.04000       49.69403 36.74097 9.612959 36.33686 12.01500 0.4041100      15.38731 
1 1 1 1   40 24 o 21.59447 8.477299 22.31923       26.16714 25.98000       32.23037 15.24000       44.82004 23.15883 9.304614 23.28593 10.22397 -0.1271000     13.82409 
1 1 1 1   40 25 o 20.06070 8.296085 14.56772       26.53183 10.18000       32.66827 23.07000       45.47514 20.54683 8.878035 24.36207 10.50030 -3.815239      13.75049 
1 1 1 1   40 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   40 27 o 16.96642 7.602343 -2.801601      26.06603 -13.05000      31.74443 18.41000       45.66949 17.22842 7.972103 23.73056 10.37231 -6.502132      13.08202 
1 1 1 1   40 28 o 26.22378 10.97268 36.33000       47.20100 0.000000       0.000000 36.33000       47.20100 ?        ?        26.22378 10.97268 ?              ?        
1 1 1 1   40 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 1   40 30 o 39.69746 12.40221 118.1000       53.46895 0.000000       0.000000 118.1000       53.46895 ?        ?        39.69746 12.40221 ?              ?        
1 1 1 1   40 31 o 44.83193 12.02468 144.2000       53.85172 0.000000       0.000000 144.2000       53.85172 ?        ?        44.83193 12.02468 ?              ?        
1 1 1 1   40 32 o 17.05460 7.801403 -7.611442      29.20167 0.000000       0.000000 -7.611442      29.20167 ?        ?        17.05460 7.801403 ?              ?        
1 1 1 1   40 33 o 31.99747 9.206941 65.66237       30.38336 0.000000       0.000000 65.66237       30.38336 ?        ?        31.99747 9.206941 ?              ?        
1 1 1 1   40 34 f 19.42894 8.267028 12.02578       27.53080 0.000000       0.000000 12.02578       27.53080 ?        ?        19.42894 8.267028 ?              ?        
1 1 1 1   40 35 o 42.80108 7.759789 109.3295       31.31276 0.000000       0.000000 109.3295       31.31276 ?        ?        42.80108 7.759789 ?              ?        
1 1 1 1   40 36 o 20.67014 8.616517 18.72314       28.94489 0.000000       0.000000 18.72314       28.94489 ?        ?        20.67014 8.616517 ?              ?        
1 1 1 1   41 0  o 41.70585 5.221840 91.45496       20.85110 0.000000       0.000000 91.45496       20.85110 ?        ?        41.70585 5.221840 ?              ?        
1 1 1 1   41 1  o 41.88113 7.117648 97.34441       28.13525 0.000000       0.000000 97.34441       28.13525 ?        ?        41.88113 7.117648 ?              ?        
1 1 1 1   41 2  o 43.55108 5.059477 99.24324       21.16707 0.000000       0.000000 99.24324       21.16707 ?        ?        43.55108 5.059477 ?              ?        
1 1 1 1   41 3  o 33.19605 6.447178 60.50558       20.19365 0.000000       0.000000 60.50558       20.19365 ?        ?        33.19605 6.447178 ?              ?        
1 1 1 1   41 4  o 42.86123 5.750060 97.95155       23.51565 0.000000       0.000000 97.95155       23.51565 ?        ?        42.86123 5.750060 ?              ?        
1 1 1 1   41 5  o 23.24013 7.376986 30.05048       18.84596 0.000000       0.000000 30.05048       18.84596 ?        ?        23.24013 7.376986 ?              ?        
1 1 1 1   41 6  o 15.81231 7.045370 -3.432028      22.05461 0.000000       0.000000 -3.432028      22.05461 ?        ?        15.81231 7.045370 ?              ?        
1 1 1 1   41 7  o 33.20776 6.981191 61.65636       21.97070 0.000000       0.000000 61.65636       21.97070 ?        ?        33.20776 6.981191 ?              ?        
1 1 1 1   41 8  o 18.09152 7.398232 10.43420       20.79382 0.000000       0.000000 10.43420       20.79382 ?        ?        18.09152 7.398232 ?              ?        
1 1 1 1   41 9  o 30.40315 6.559704 51.25405       18.94752 0.000000       0.000000 51.25405       18.94752 ?        ?        30.40315 6.559704 ?              ?        
1 1 1 1   41 10 o 13.28222 6.042300 -7.381039      17.20909 0.000000       0.000000 -7.381039      17.20909 ?        ?        13.28222 6.042300 ?              ?        
1 1 1 1   41 11 o 42.91157 4.652308 95.73669       19.22886 0.000000       0.000000 95.73669       19.22886 ?        ?        42.91157 4.652308 ?              ?        
1 1 1 1   41 12 o 15.29978 6.413713 4.795471       16.17226 0.000000       0.000000 4.795471       16.17226 ?        ?        15.29978 6.413713 ?              ?        
1 1 1 1   41 13 o 38.74702 4.857273 78.79596       18.01831 0.000000       0.000000 78.79596       18.01831 ?        ?        38.74702 4.857273 ?              ?        
1 1 1 1   41 14 o 32.68532 5.351360 57.22879       16.52883 0.000000       0.000000 57.22879       16.52883 ?        ?        32.68532 5.351360 ?              ?        
1 1 1 1   41 15 o 15.37647 6.835124 -2.459306      20.63388 0.000000       0.000000 -2.459306      20.63388 ?        ?        15.37647 6.835124 ?              ?        
1 1 1 1   41 16 o 34.10125 5.718613 62.98871       18.41317 0.000000       0.000000 62.98871       18.41317 ?        ?        34.10125 5.718613 ?              ?        
1 1 1 1   41 17 o 25.81149 5.734160 36.59617       14.11083 0.000000       0.000000 36.59617       14.11083 ?        ?        25.81149 5.734160 ?              ?        
1 1 1 1   41 18 o 30.03166 9.598226 56.81693       31.85953 0.000000       0.000000 56.81693       31.85953 ?        ?        30.03166 9.598226 ?              ?        
1 1 1 1   41 19 o 28.46388 11.32022 49.99000       47.21674 0.000000       0.000000 49.99000       47.21674 ?        ?        28.46388 11.32022 ?              ?        
1 1 1 1   41 20 o 24.21776 9.313797 31.78789       31.08664 0.000000       0.000000 31.78789       31.08664 ?        ?        24.21776 9.313797 ?              ?        
1 1 1 1   41 21 o 19.42414 8.442041 6.949103       29.88997 0.000000       0.000000 6.949103       29.88997 ?        ?        19.42414 8.442041 ?              ?        
1 1 1 1   41 22 o 25.08811 9.332402 36.36376       30.60972 0.000000       0.000000 36.36376       30.60972 ?        ?        25.08811 9.332402 ?              ?        
1 1 1 1   41 23 o 28.16166 9.489258 49.64771       30.97293 0.000000       0.000000 49.64771       30.97293 ?        ?        28.16166 9.489258 ?              ?        
1 1 1 1   41 24 o 46.32987 7.683293 123.9089       33.62287 0.000000       0.000000 123.9089       33.62287 ?        ?        46.32987 7.683293 ?              ?        
1 1 1 1   41 25 o 15.16285 7.198124 -24.35712      28.86112 0.000000       0.000000 -24.35712      28.86112 ?        ?        15.16285 7.198124 ?              ?        
1 1 1 1   41 26 o 22.80995 9.007367 26.39362       29.69553 0.000000       0.000000 26.39362       29.69553 ?        ?        22.80995 9.007367 ?              ?        
1 1 1 1   41 27 o 18.52691 8.192605 2.707465       29.26305 0.000000       0.000000 2.707465       29.26305 ?        ?        18.52691 8.192605 ?              ?        
1 1 1 1   41 28 o 32.34526 10.94802 72.72000       41.22833 0.000000       0.000000 72.72000       41.22833 ?        ?        32.34526 10.94802 ?              ?        
1 1 1 1   41 29 o 21.08160 8.754936 17.90182       29.72068 0.000000       0.000000 17.90182       29.72068 ?        ?        21.08160 8.754936 ?              ?        
1 1 1 1   41 30 o 29.11664 11.55097 58.98000       49.04412 0.000000       0.000000 58.98000       49.04412 ?        ?        29.11664 11.55097 ?              ?        
1 1 1 1   41 31 o 22.65138 8.962742 27.24855       29.45609 0.000000       0.000000 27.24855       29.45609 ?        ?        22.65138 8.962742 ?              ?        
1 1 1 1   41 32 o 41.52577 8.127545 104.3301       31.85248 0.000000       0.000000 104.3301       31.85248 ?        ?        41.52577 8.127545 ?              ?        
1 1 1 1   41 33 o 19.61875 8.430750 12.25126       29.14950 0.000000       0.000000 12.25126       29.14950 ?        ?        19.61875 8.430750 ?              ?        
1 1 1 1   41 34 o 16.84094 7.662041 -3.859795      27.68140 0.000000       0.000000 -3.859795      27.68140 ?        ?        16.84094 7.662041 ?              ?        
1 1 1 1   42 0  o 35.67400 5.969328 69.12634       20.10827 0.000000       0.000000 69.12634       20.10827 ?        ?        35.67400 5.969328 ?              ?        
1 1 1 1   42 1  o 48.92331 5.253087 126.3069       24.76216 0.000000       0.000000 126.3069       24.76216 ?        ?        48.92331 5.253087 ?              ?        
1 1 1 1   42 2  o 34.33579 7.276767 67.07764       23.69560 0.000000       0.000000 67.07764       23.69560 ?        ?        34.33579 7.276767 ?              ?        
1 1 1 1   42 3  o 39.99924 5.996975 86.69094       22.75673 0.000000       0.000000 86.69094       22.75673 ?        ?        39.99924 5.996975 ?              ?        
1 1 1 1   42 4  o 28.59617 6.914188 46.36230       19.13838 0.000000       0.000000 46.36230       19.13838 ?        ?        28.59617 6.914188 ?              ?        
1 1 1 1   42 5  o 59.06913 4.633497 181.0121       26.57590 0.000000       0.000000 181.0121       26.57590 ?        ?        59.06913 4.633497 ?              ?        
1 1 1 1   42 6  o 37.34219 6.600049 77.39610       23.24207 0.000000       0.000000 77.39610       23.24207 ?        ?        37.34219 6.600049 ?              ?        
1 1 1 1   42 7  o 44.38642 6.033322 106.8638       25.53480 0.000000       0.000000 106.8638       25.53480 ?        ?        44.38642 6.033322 ?              ?        
1 1 1 1   42 8  o 38.76182 5.482126 80.45784       20.21995 0.000000       0.000000 80.45784       20.21995 ?        ?        38.76182 5.482126 ?              ?        
1 1 1 1   42 9  o 16.26610 7.001867 3.320909       20.17090 0.000000       0.000000 3.320909       20.17090 ?        ?        16.26610 7.001867 ?              ?        
1 1 1 1   42 10 o 23.87678 7.100498 32.47787       17.81394 0.000000       0.000000 32.47787       17.81394 ?        ?        23.87678 7.100498 ?              ?        
1 1 1 1   42 11 o 24.96914 6.903165 35.56892       17.43606 0.000000       0.000000 35.56892       17.43606 ?        ?        24.96914 6.903165 ?              ?        
1 1 1 1   42 12 o 19.52942 6.915861 19.84840       16.53253 0.000000       0.000000 19.84840       16.53253 ?        ?        19.52942 6.915861 ?              ?        
1 1 1 1   42 13 o 29.22867 6.244153 47.57335       17.32180 0.000000       0.000000 47.57335       17.32180 ?        ?        29.22867 6.244153 ?              ?        
1 1 1 1   42 14 o 13.98954 6.054904 0.9293635      15.24634 0.000000       0.000000 0.9293635      15.24634 ?        ?        13.98954 6.054904 ?              ?        
1 1 1 1   42 15 o 18.30661 7.799585 7.671091       24.56102 0.000000       0.000000 7.671091       24.56102 ?        ?        18.30661 7.799585 ?              ?        
1 1 1 1   42 16 o 20.89650 7.156255 23.73765       17.62298 0.000000       0.000000 23.73765       17.62298 ?        ?        20.89650 7.156255 ?              ?        
1 1 1 1   42 17 o 34.37936 4.507139 61.93512       14.80227 0.000000       0.000000 61.93512       14.80227 ?        ?        34.37936 4.507139 ?              ?        
1 1 1 1   42 18 o 22.58870 10.07540 9.970000       45.22902 0.000000       0.000000 9.970000       45.22902 ?        ?        22.58870 10.07540 ?              ?        
1 1 1 1   42 19 o 35.12206 9.305566 77.54865       32.49817 0.000000       0.000000 77.54865       32.49817 ?        ?        35.12206 9.305566 ?              ?        
1 1 1 1   42 20 o 21.41600 8.921791 18.13253       31.00362 0.000000       0.000000 18.13253       31.00362 ?        ?        21.41600 8.921791 ?              ?        
1 1 1 1   42 21 o 31.84302 9.606211 65.13604       32.42939 0.000000       0.000000 65.13604       32.42939 ?        ?        31.84302 9.606211 ?              ?        
1 1 1 1   42 22 o 21.21394 8.854012 17.44235       30.61731 0.000000       0.000000 17.44235       30.61731 ?        ?        21.21394 8.854012 ?              ?        
1 1 1 1   42 23 o 23.77455 9.232072 30.80588       30.76068 0.000000       0.000000 30.80588       30.76068 ?        ?        23.77455 9.232072 ?              ?        
1 1 1 1   42 24 o 33.32292 9.404343 71.06340       32.00505 0.000000       0.000000 71.06340       32.00505 ?        ?        33.32292 9.404343 ?              ?        
1 1 1 1   42 25 o 39.53487 8.808486 96.26803       33.21405 0.000000       0.000000 96.26803       33.21405 ?        ?        39.53487 8.808486 ?              ?        
1 1 1 1   42 26 o 24.37422 10.17073 29.85000       40.38761 0.000000       0.000000 29.85000       40.38761 ?        ?        24.37422 10.17073 ?              ?        
1 1 1 1   42 27 o 19.72856 8.581265 8.941985       30.93600 0.000000       0.000000 8.941985       30.93600 ?        ?        19.72856 8.581265 ?              ?        
1 1 1 1   42 28 o 35.82586 11.99634 98.19000       49.50663 0.000000       0.000000 98.19000       49.50663 ?        ?        35.82586 11.99634 ?              ?        
1 1 1 1   42 29 o 18.89812 8.363162 4.895773       30.55083 0.000000       0.000000 4.895773       30.55083 ?        ?        18.89812 8.363162 ?              ?        
1 1 1 1   42 30 o 27.57733 9.440716 50.13728       30.66959 0.000000       0.000000 50.13728       30.66959 ?        ?        27.57733 9.440716 ?              ?        
1 1 1 1   42 31 o 32.35989 9.191577 69.17033       30.47339 0.000000       0.000000 69.17033       30.47339 ?        ?        32.35989 9.191577 ?              ?        
1 1 1 1   42 32 o 27.43629 11.24833 54.76000       48.22190 0.000000       0.000000 54.76000       48.22190 ?        ?        27.43629 11.24833 ?              ?        
1 1 1 1   43 0  o 50.31731 4.593283 131.9682       22.37362 0.000000       0.000000 131.9682       22.37362 ?        ?        50.31731 4.593283 ?              ?        
1 1 1 1   43 1  o 23.15562 8.003265 30.41157       22.05769 0.000000       0.000000 30.41157       22.05769 ?        ?        23.15562 8.003265 ?              ?        
1 1 1 1   43 2  o 22.36847 8.640216 25.67455       26.83631 0.000000       0.000000 25.67455       26.83631 ?        ?        22.36847 8.640216 ?              ?        
1 1 1 1   43 3  o 19.77183 7.426129 19.30102       19.47686 0.000000       0.000000 19.30102       19.47686 ?        ?        19.77183 7.426129 ?              ?        
1 1 1 1   43 4  o 58.60784 5.749358 184.7077       32.55837 0.000000       0.000000 184.7077       32.55837 ?        ?        58.60784 5.749358 ?              ?        
1 1 1 1   43 5  o 27.53530 7.225240 43.94371       19.71413 0.000000       0.000000 43.94371       19.71413 ?        ?        27.53530 7.225240 ?              ?        
1 1 1 1   43 6  o 39.77732 5.431494 84.84813       20.59577 0.000000       0.000000 84.84813       20.59577 ?        ?        39.77732 5.431494 ?              ?        
1 1 1 1   43 7  o 28.97561 8.212726 50.46789       24.35469 0.000000       0.000000 50.46789       24.35469 ?        ?        28.97561 8.212726 ?              ?        
1 1 1 1   43 8  o 21.20763 7.341581 24.56634       18.56416 0.000000       0.000000 24.56634       18.56416 ?        ?        21.20763 7.341581 ?              ?        
1 1 1 1   43 9  o 23.41221 7.824082 31.36982       21.06012 0.000000       0.000000 31.36982       21.06012 ?        ?        23.41221 7.824082 ?              ?        
1 1 1 1   43 10 o 36.11937 6.443109 72.52660       21.94373 0.000000       0.000000 72.52660       21.94373 ?        ?        36.11937 6.443109 ?              ?        
1 1 1 1   43 11 o 36.42763 5.428257 71.35172       18.76506 0.000000       0.000000 71.35172       18.76506 ?        ?        36.42763 5.428257 ?              ?        
1 1 1 1   43 12 o 14.80297 6.339086 2.814687       16.37304 0.000000       0.000000 2.814687       16.37304 ?        ?        14.80297 6.339086 ?              ?        
1 1 1 1   43 13 o 20.85782 6.909895 24.07941       16.43385 0.000000       0.000000 24.07941       16.43385 ?        ?        20.85782 6.909895 ?              ?        
1 1 1 1   43 14 o 53.87299 4.112063 149.5766       21.52003 0.000000       0.000000 149.5766       21.52003 ?        ?        53.87299 4.112063 ?              ?        
1 1 1 1   43 15 o 35.31843 7.223370 71.77644       24.12866 0.000000       0.000000 71.77644       24.12866 ?        ?        35.31843 7.223370 ?              ?        
1 1 1 1   43 16 o 39.15739 5.938370 83.90847       22.04761 0.000000       0.000000 83.90847       22.04761 ?        ?        39.15739 5.938370 ?              ?        
1 1 1 1   43 17 o 13.28259 6.197815 -13.48863      19.81662 0.000000       0.000000 -13.48863      19.81662 ?        ?        13.28259 6.197815 ?              ?        
1 1 1 1   43 18 o 29.76974 9.653557 57.13800       32.14919 0.000000       0.000000 57.13800       32.14919 ?        ?        29.76974 9.653557 ?              ?        
1 1 1 1   43 19 o 16.77632 7.753860 -11.76477      29.90167 0.000000       0.000000 -11.76477      29.90167 ?        ?        16.77632 7.753860 ?              ?        
1 1 1 1   43 20 f 27.52736 9.572206 47.90335       31.57522 0.000000       0.000000 47.90335       31.57522 ?        ?        27.52736 9.572206 ?              ?        
1 1 1 1   43 21 o 12.78007 6.316531 -53.14811      28.95332 0.000000       0.000000 -53.14811      28.95332 ?        ?        12.78007 6.316531 ?              ?        
1 1 1 1   43 22 o 42.44472 8.440625 109.0073       33.83261 0.000000       0.000000 109.0073       33.83261 ?        ?        42.44472 8.440625 ?              ?        
1 1 1 1   43 23 o 17.73279 8.020826 -3.298644      29.79964 0.000000       0.000000 -3.298644      29.79964 ?        ?        17.73279 8.020826 ?              ?        
1 1 1 1   43 24 o 31.56640 9.590385 65.21862       32.24280 0.000000       0.000000 65.21862       32.24280 ?        ?        31.56640 9.590385 ?              ?        
1 1 1 1   43 25 o 14.73923 7.264488 -58.76000      37.37811 0.000000       0.000000 -58.76000      37.37811 ?        ?        14.73923 7.264488 ?              ?        
1 1 1 1   43 26 o 17.19501 7.857613 -5.881717      29.52491 0.000000       0.000000 -5.881717      29.52491 ?        ?        17.19501 7.857613 ?              ?        
1 1 1 1   43 27 o 31.04698 11.75519 74.81000       49.02522 0.000000       0.000000 74.81000       49.02522 ?        ?        31.04698 11.75519 ?              ?        
1 1 1 1   43 28 o 36.11304 8.996656 84.36044       31.68346 0.000000       0.000000 84.36044       31.68346 ?        ?        36.11304 8.996656 ?              ?        
1 1 1 1   43 29 o 22.24624 8.957949 26.85464       29.94508 0.000000       0.000000 26.85464       29.94508 ?        ?        22.24624 8.957949 ?              ?        
1 1 1 1   44 0  o 20.16800 8.062691 18.00113       24.07589 0.000000       0.000000 18.00113       24.07589 ?        ?        20.16800 8.062691 ?              ?        
1 1 1 1   44 1  o 33.18492 7.021491 63.13259       22.09473 0.000000       0.000000 63.13259       22.09473 ?        ?        33.18492 7.021491 ?              ?        
1 1 1 1   44 2  o 25.04421 7.369802 36.63230       19.27335 0.000000       0.000000 36.63230       19.27335 ?        ?        25.04421 7.369802 ?              ?        
1 1 1 1   44 3  o 28.57329 7.786319 48.62661       22.36630 0.000000       0.000000 48.62661       22.36630 ?        ?        28.57329 7.786319 ?              ?        
1 1 1 1   44 4  o 14.80893 6.508583 -0.2446731     18.20547 0.000000       0.000000 -0.2446731     18.20547 ?        ?        14.80893 6.508583 ?              ?        
1 1 1 1   44 5  o 48.47668 4.564719 122.8215       21.40479 0.000000       0.000000 122.8215       21.40479 ?        ?        48.47668 4.564719 ?              ?        
1 1 1 1   44 6  o 22.71836 7.302567 29.56157       18.42271 0.000000       0.000000 29.56157       18.42271 ?        ?        22.71836 7.302567 ?              ?        
1 1 1 1   44 7  o 22.55226 8.347044 27.96742       24.43042 0.000000       0.000000 27.96742       24.43042 ?        ?        22.55226 8.347044 ?              ?        
1 1 1 1   44 8  o 36.37256 6.990534 75.43491       23.98400 0.000000       0.000000 75.43491       23.98400 ?        ?        36.37256 6.990534 ?              ?        
1 1 1 1   44 9  o 14.90120 6.481141 1.267778       17.64454 0.000000       0.000000 1.267778       17.64454 ?        ?        14.90120 6.481141 ?              ?        
1 1 1 1   44 10 o 19.78477 7.560601 19.15238       20.39693 0.000000       0.000000 19.15238       20.39693 ?        ?        19.78477 7.560601 ?              ?        
1 1 1 1   44 11 o 21.12556 7.085083 24.89454       17.26781 0.000000       0.000000 24.89454       17.26781 ?        ?        21.12556 7.085083 ?              ?        
1 1 1 1   44 12 o 46.37581 4.875403 113.5660       21.80077 0.000000       0.000000 113.5660       21.80077 ?        ?        46.37581 4.875403 ?              ?        
1 1 1 1   44 13 o 36.97808 5.656469 74.38036       19.82390 0.000000       0.000000 74.38036       19.82390 ?        ?        36.97808 5.656469 ?              ?        
1 1 1 1   44 14 o 32.25072 5.618583 56.80822       17.09243 0.000000       0.000000 56.80822       17.09243 ?        ?        32.25072 5.618583 ?              ?        
1 1 1 1   44 15 o 22.16327 8.613742 25.55691       26.79590 0.000000       0.000000 25.55691       26.79590 ?        ?        22.16327 8.613742 ?              ?        
1 1 1 1   44 16 o 14.58339 6.234452 3.000998       15.78809 0.000000       0.000000 3.000998       15.78809 ?        ?        14.58339 6.234452 ?              ?        
1 1 1 1   44 17 o 20.90544 8.759089 17.07372       30.13883 0.000000       0.000000 17.07372       30.13883 ?        ?        20.90544 8.759089 ?              ?        
1 1 1 1   44 18 f 32.73847 9.433287 69.55984       31.87469 0.000000       0.000000 69.55984       31.87469 ?        ?        32.73847 9.433287 ?              ?        
1 1 1 1   44 19 o 22.15162 9.022280 23.70124       30.77435 0.000000       0.000000 23.70124       30.77435 ?        ?        22.15162 9.022280 ?              ?        
1 1 1 1   44 20 o 23.28893 9.164865 29.59643       30.64879 0.000000       0.000000 29.59643       30.64879 ?        ?        23.28893 9.164865 ?              ?        
1 1 1 1   44 21 o 26.70441 9.499567 45.58610       31.22402 0.000000       0.000000 45.58610       31.22402 ?        ?        26.70441 9.499567 ?              ?        
1 1 1 1   44 22 o 25.91645 9.433082 42.57108       30.99427 0.000000       0.000000 42.57108       30.99427 ?        ?        25.91645 9.433082 ?              ?        
1 1 1 1   44 23 o 16.53953 7.959044 -33.48000      37.94638 0.000000       0.000000 -33.48000      37.94638 ?        ?        16.53953 7.959044 ?              ?        
1 1 1 1   44 24 o 13.93700 6.769409 -36.02818      29.09067 0.000000       0.000000 -36.02818      29.09067 ?        ?        13.93700 6.769409 ?              ?        
1 1 1 1   44 25 o 19.82845 9.306133 -10.61000      45.77411 0.000000       0.000000 -10.61000      45.77411 ?        ?        19.82845 9.306133 ?              ?        
1 1 1 1   44 26 o 22.12700 8.993989 26.34543       30.50815 0.000000       0.000000 26.34543       30.50815 ?        ?        22.12700 8.993989 ?              ?        
1 1 1 1   44 27 o 33.71098 11.91741 94.33000       49.07462 0.000000       0.000000 94.33000       49.07462 ?        ?        33.71098 11.91741 ?              ?        
1 1 1 1   45 0  o 34.87292 7.946037 72.69397       26.51666 0.000000       0.000000 72.69397       26.51666 ?        ?        34.87292 7.946037 ?              ?        
1 1 1 1   45 1  o 26.58276 7.909260 42.46447       22.09868 0.000000       0.000000 42.46447       22.09868 ?        ?        26.58276 7.909260 ?              ?        
1 1 1 1   45 2  o 24.72572 8.188240 36.50311       23.07750 0.000000       0.000000 36.50311       23.07750 ?        ?        24.72572 8.188240 ?              ?        
1 1 1 1   45 3  o 33.83669 6.341747 64.14365       20.23251 0.000000       0.000000 64.14365       20.23251 ?        ?        33.83669 6.341747 ?              ?        
1 1 1 1   45 4  o 20.86540 7.377731 23.84128       18.80858 0.000000       0.000000 23.84128       18.80858 ?        ?        20.86540 7.377731 ?              ?        
1 1 1 1   45 5  o 20.13433 7.334552 21.41639       18.74338 0.000000       0.000000 21.41639       18.74338 ?        ?        20.13433 7.334552 ?              ?        
1 1 1 1   45 6  o 28.53798 7.019985 47.29935       19.47210 0.000000       0.000000 47.29935       19.47210 ?        ?        28.53798 7.019985 ?              ?        
1 1 1 1   45 7  o 16.64501 6.878237 8.603682       18.21883 0.000000       0.000000 8.603682       18.21883 ?        ?        16.64501 6.878237 ?              ?        
1 1 1 1   45 8  o 24.95934 7.151163 36.38882       18.36728 0.000000       0.000000 36.38882       18.36728 ?        ?        24.95934 7.151163 ?              ?        
1 1 1 1   45 9  o 27.15969 8.207169 44.95343       23.65706 0.000000       0.000000 44.95343       23.65706 ?        ?        27.15969 8.207169 ?              ?        
1 1 1 1   45 10 o 19.62323 8.377414 11.42000       28.43642 0.000000       0.000000 11.42000       28.43642 ?        ?        19.62323 8.377414 ?              ?        
1 1 1 1   45 11 o 35.93419 6.246522 72.05788       21.17402 0.000000       0.000000 72.05788       21.17402 ?        ?        35.93419 6.246522 ?              ?        
1 1 1 1   45 12 o 23.77876 7.094991 32.98268       17.76312 0.000000       0.000000 32.98268       17.76312 ?        ?        23.77876 7.094991 ?              ?        
1 1 1 1   45 13 o 20.46446 7.297013 22.86918       18.43381 0.000000       0.000000 22.86918       18.43381 ?        ?        20.46446 7.297013 ?              ?        
1 1 1 1   45 14 o 20.73184 6.962242 24.10848       16.67376 0.000000       0.000000 24.10848       16.67376 ?        ?        20.73184 6.962242 ?              ?        
1 1 1 1   45 15 o 28.76900 8.067418 50.61789       23.63076 0.000000       0.000000 50.61789       23.63076 ?        ?        28.76900 8.067418 ?              ?        
1 1 1 1   45 16 o 27.72531 6.652658 44.26584       17.82317 0.000000       0.000000 44.26584       17.82317 ?        ?        27.72531 6.652658 ?              ?        
1 1 1 1   45 17 o 23.55188 9.160135 31.65549       30.32053 0.000000       0.000000 31.65549       30.32053 ?        ?        23.55188 9.160135 ?              ?        
1 1 1 1   45 18 o 30.29343 9.461485 60.81667       31.12111 0.000000       0.000000 60.81667       31.12111 ?        ?        30.29343 9.461485 ?              ?        
1 1 1 1   45 19 o 30.85466 9.537244 63.63968       31.71280 0.000000       0.000000 63.63968       31.71280 ?        ?        30.85466 9.537244 ?              ?        
1 1 1 1   45 20 o 20.21201 8.625616 14.86110       30.12672 0.000000       0.000000 14.86110       30.12672 ?        ?        20.21201 8.625616 ?              ?        
1 1 1 1   45 21 o 15.76926 7.415457 -16.50577      29.31154 0.000000       0.000000 -16.50577      29.31154 ?        ?        15.76926 7.415457 ?              ?        
1 1 1 1   45 22 o 25.96256 10.34582 45.38000       39.51418 0.000000       0.000000 45.38000       39.51418 ?        ?        25.96256 10.34582 ?              ?        
1 1 1 1   45 23 f 15.50147 7.304374 -16.70600      28.69861 0.000000       0.000000 -16.70600      28.69861 ?        ?        15.50147 7.304374 ?              ?        
1 1 1 1   45 24 o 19.77758 9.257686 -6.500000      44.79216 0.000000       0.000000 -6.500000      44.79216 ?        ?        19.77758 9.257686 ?              ?        
1 1 1 1   46 0  f 33.57547 6.376407 63.67001       20.18970 0.000000       0.000000 63.67001       20.18970 ?        ?        33.57547 6.376407 ?              ?        
1 1 1 1   46 1  o 14.37529 6.852250 -23.93842      26.69898 0.000000       0.000000 -23.93842      26.69898 ?        ?        14.37529 6.852250 ?              ?        
1 1 1 1   46 2  o 40.38269 6.242867 91.01589       23.88148 0.000000       0.000000 91.01589       23.88148 ?        ?        40.38269 6.242867 ?              ?        
1 1 1 1   46 3  o 16.57544 6.936307 7.820571       18.86477 0.000000       0.000000 7.820571       18.86477 ?        ?        16.57544 6.936307 ?              ?        
1 1 1 1   46 4  o 36.57185 5.849031 73.80781       20.23289 0.000000       0.000000 73.80781       20.23289 ?        ?        36.57185 5.849031 ?              ?        
1 1 1 1   46 5  o 33.59774 6.351555 63.72084       20.12288 0.000000       0.000000 63.72084       20.12288 ?        ?        33.59774 6.351555 ?              ?        
1 1 1 1   46 6  o 12.92276 5.988589 -10.41016      18.01211 0.000000       0.000000 -10.41016      18.01211 ?        ?        12.92276 5.988589 ?              ?        
1 1 1 1   46 7  o 20.95254 7.274686 24.64605       18.23345 0.000000       0.000000 24.64605       18.23345 ?        ?        20.95254 7.274686 ?              ?        
1 1 1 1   46 8  o 20.90410 7.276906 24.49606       18.25055 0.000000       0.000000 24.49606       18.25055 ?        ?        20.90410 7.276906 ?              ?        
1 1 1 1   46 9  o 60.92286 5.716891 201.9132       33.69320 0.000000       0.000000 201.9132       33.69320 ?        ?        60.92286 5.716891 ?              ?        
1 1 1 1   46 10 o 25.19834 7.472566 37.88211       19.75179 0.000000       0.000000 37.88211       19.75179 ?        ?        25.19834 7.472566 ?              ?        
1 1 1 1   46 11 o 13.00217 6.068222 -12.55619      19.01248 0.000000       0.000000 -12.55619      19.01248 ?        ?        13.00217 6.068222 ?              ?        
1 1 1 1   46 12 o 35.77653 6.494130 72.73772       21.90450 0.000000       0.000000 72.73772       21.90450 ?        ?        35.77653 6.494130 ?              ?        
1 1 1 1   46 13 o 34.56749 5.987373 66.74213       19.52516 0.000000       0.000000 66.74213       19.52516 ?        ?        34.56749 5.987373 ?              ?        
1 1 1 1   46 14 o 18.78201 7.403381 16.46486       20.02858 0.000000       0.000000 16.46486       20.02858 ?        ?        18.78201 7.403381 ?              ?        
1 1 1 1   46 15 o 21.74674 8.889875 23.77139       30.01112 0.000000       0.000000 23.77139       30.01112 ?        ?        21.74674 8.889875 ?              ?        
1 1 1 1   46 16 o 23.06241 9.068380 30.81125       29.98566 0.000000       0.000000 30.81125       29.98566 ?        ?        23.06241 9.068380 ?              ?        
1 1 1 1   46 17 o 27.77340 9.370369 51.90746       30.20157 0.000000       0.000000 51.90746       30.20157 ?        ?        27.77340 9.370369 ?              ?        
1 1 1 1   46 18 o 43.12746 8.106721 114.6042       32.96600 0.000000       0.000000 114.6042       32.96600 ?        ?        43.12746 8.106721 ?              ?        
1 1 1 1   46 19 o 17.27064 7.841852 -1.612709      28.81669 0.000000       0.000000 -1.612709      28.81669 ?        ?        17.27064 7.841852 ?              ?        
1 1 1 1   46 20 f 22.31710 9.663030 23.28000       38.86175 0.000000       0.000000 23.28000       38.86175 ?        ?        22.31710 9.663030 ?              ?        
1 1 1 1   47 0  o 19.68731 8.506871 11.67224       29.99542 0.000000       0.000000 11.67224       29.99542 ?        ?        19.68731 8.506871 ?              ?        
1 1 1 1   47 1  o 17.62837 7.043470 13.19491       18.36327 0.000000       0.000000 13.19491       18.36327 ?        ?        17.62837 7.043470 ?              ?        
1 1 1 1   47 2  o 18.75055 7.473259 15.93919       20.62151 0.000000       0.000000 15.93919       20.62151 ?        ?        18.75055 7.473259 ?              ?        
1 1 1 1   47 3  o 44.22089 5.569076 106.9930       23.57210 0.000000       0.000000 106.9930       23.57210 ?        ?        44.22089 5.569076 ?              ?        
1 1 1 1   47 4  o 17.35348 6.972669 12.37535       18.10086 0.000000       0.000000 12.37535       18.10086 ?        ?        17.35348 6.972669 ?              ?        
1 1 1 1   47 5  o 21.55566 7.399607 26.92837       18.84484 0.000000       0.000000 26.92837       18.84484 ?        ?        21.55566 7.399607 ?              ?        
1 1 1 1   47 6  o 31.79107 6.450255 57.95220       19.38491 0.000000       0.000000 57.95220       19.38491 ?        ?        31.79107 6.450255 ?              ?        
1 1 1 1   47 7  o 17.86489 7.016439 14.58188       17.93279 0.000000       0.000000 14.58188       17.93279 ?        ?        17.86489 7.016439 ?              ?        
1 1 1 1   47 8  o 22.21940 7.593905 29.17128       19.84216 0.000000       0.000000 29.17128       19.84216 ?        ?        22.21940 7.593905 ?              ?        
1 1 1 1   47 9  o 17.78942 6.982761 14.55239       17.75224 0.000000       0.000000 14.55239       17.75224 ?        ?        17.78942 6.982761 ?              ?        
1 1 1 1   47 10 o 29.80956 7.264562 53.37535       21.00013 0.000000       0.000000 53.37535       21.00013 ?        ?        29.80956 7.264562 ?              ?        
1 1 1 1   47 11 o 14.84137 6.828425 -7.970634      22.81615 0.000000       0.000000 -7.970634      22.81615 ?        ?        14.84137 6.828425 ?              ?        
1 1 1 1   47 12 o 18.51027 6.930289 17.83896       16.93447 0.000000       0.000000 17.83896       16.93447 ?        ?        18.51027 6.930289 ?              ?        
1 1 1 1   47 13 o 32.87852 5.787887 60.71286       17.94681 0.000000       0.000000 60.71286       17.94681 ?        ?        32.87852 5.787887 ?              ?        
1 1 1 1   47 14 o 23.43150 7.516078 33.68040       19.52296 0.000000       0.000000 33.68040       19.52296 ?        ?        23.43150 7.516078 ?              ?        
1 1 1 1   47 15 o 17.70626 7.877923 3.950694       27.47353 0.000000       0.000000 3.950694       27.47353 ?        ?        17.70626 7.877923 ?              ?        
1 1 1 1   47 16 o 16.55035 7.574344 -4.255697      27.56993 0.000000       0.000000 -4.255697      27.56993 ?        ?        16.55035 7.574344 ?              ?        
1 1 1 1   48 0  o 15.72190 6.709534 5.854352       18.22923 0.000000       0.000000 5.854352       18.22923 ?        ?        15.72190 6.709534 ?              ?        
1 1 1 1   48 1  o 15.52669 6.928714 -0.1546367     21.41547 0.000000       0.000000 -0.1546367     21.41547 ?        ?        15.52669 6.928714 ?              ?        
1 1 1 1   48 2  o 21.32499 7.284986 26.91231       18.26023 0.000000       0.000000 26.91231       18.26023 ?        ?        21.32499 7.284986 ?              ?        
1 1 1 1   48 3  o 17.27109 7.177297 10.98025       19.99347 0.000000       0.000000 10.98025       19.99347 ?        ?        17.27109 7.177297 ?              ?        
1 1 1 1   48 4  o 23.68256 7.281481 34.20519       18.51493 0.000000       0.000000 34.20519       18.51493 ?        ?        23.68256 7.281481 ?              ?        
1 1 1 1   48 5  o 20.43444 7.198160 24.20096       17.89105 0.000000       0.000000 24.20096       17.89105 ?        ?        20.43444 7.198160 ?              ?        
1 1 1 1   48 6  o 15.76847 6.660620 6.993450       17.65230 0.000000       0.000000 6.993450       17.65230 ?        ?        15.76847 6.660620 ?              ?        
1 1 1 1   48 7  o 22.21925 7.553562 30.01938       19.62764 0.000000       0.000000 30.01938       19.62764 ?        ?        22.21925 7.553562 ?              ?        
1 1 1 1   48 8  f 32.42650 6.281407 60.67998       19.21689 0.000000       0.000000 60.67998       19.21689 ?        ?        32.42650 6.281407 ?              ?        
1 1 1 1   48 9  o 16.33071 7.060761 5.710685       20.68901 0.000000       0.000000 5.710685       20.68901 ?        ?        16.33071 7.060761 ?              ?        
1 1 1 1   48 10 o 21.30661 8.634213 25.07117       28.01709 0.000000       0.000000 25.07117       28.01709 ?        ?        21.30661 8.634213 ?              ?        
1 1 1 2   0  0  o 956.3408 25.24602 45240.88       2359.540 45240.88       2359.540 45240.88       2359.540 956.3408 25.24602 956.3408 25.24602 0.000000       0.000000 
1 1 1 2   0  1  o 145.6289 4.494267 1041.184       63.92556 1041.184       63.92556 1041.184       63.92556 145.6289 4.494267 145.6289 4.494267 0.000000       0.000000 
1 1 1 2   0  2  o 349.4951 9.405049 5998.163       321.2158 5998.163       321.2158 5998.163       321.2158 349.4951 9.405049 349.4951 9.405049 0.000000       0.000000 
1 1 1 2   0  3  o 95.05864 3.510943 444.1223       32.56665 444.1223       32.56665 444.1223       32.56665 95.05864 3.510943 95.05864 3.510943 0.000000       0.000000 
1 1 1 2   0  4  o 150.3607 4.629317 1109.946       67.98667 1109.946       67.98667 1109.946       67.98667 150.3607 4.629317 150.3607 4.629317 0.000000       0.000000 
1 1 1 2   0  5  o 327.8161 8.876185 5276.543       284.3429 5276.543       284.3429 5276.543       284.3429 327.8161 8.876185 327.8161 8.876185 0.000000       0.000000 
1 1 1 2   0  6  o 554.4456 14.66062 15121.25       794.3844 15121.25       794.3844 15121.25       794.3844 554.4456 14.66062 554.4456 14.66062 0.000000       0.000000 
1 1 1 2   0  7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  8  o 422.4860 11.29110 8774.310       466.1793 8774.310       466.1793 8774.310       466.1793 422.4860 11.29110 422.4860 11.29110 0.000000       0.000000 
1 1 1 2   0  9  o 152.6151 4.771064 1143.814       71.11416 1143.814       71.11416 1143.814       71.11416 152.6151 4.771064 152.6151 4.771064 0.000000       0.000000 
1 1 1 2   0  10 o 147.8381 4.694437 1073.511       67.77699 1073.511       67.77699 1073.511       67.77699 147.8381 4.694437 147.8381 4.694437 0.000000       0.000000 
1 1 1 2   0  11 o 254.8207 7.110434 3189.601       177.0402 3189.601       177.0402 3189.601       177.0402 254.8207 7.110434 254.8207 7.110434 0.000000       0.000000 
1 1 1 2   0  12 o 135.5257 4.475013 902.2646       59.21708 902.2646       59.21708 902.2646       59.21708 135.5257 4.475013 135.5257 4.475013 0.000000       0.000000 
1 1 1 2   0  13 o 194.0598 5.710653 1848.938       108.2618 1848.938       108.2618 1848.938       108.2618 194.0598 5.710653 194.0598 5.710653 0.000000       0.000000 
1 1 1 2   0  14 o 187.1301 5.578638 1719.103       101.9772 1719.103       101.9772 1719.103       101.9772 187.1301 5.578638 187.1301 5.578638 0.000000       0.000000 
1 1 1 2   0  15 f 240.2676 6.806887 2833.621       159.7942 2833.621       159.7942 2833.621       159.7942 240.2676 6.806887 240.2676 6.806887 0.000000       0.000000 
1 1 1 2   0  16 o 46.39779 5.756383 110.1646       25.06037 110.1646       25.06037 110.1646       25.06037 46.39779 5.756383 46.39779 5.756383 0.000000       0.000000 
1 1 1 2   0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   0  18 o 255.2632 7.184527 3198.566       179.1901 3198.566       179.1901 3198.566       179.1901 255.2632 7.184527 255.2632 7.184527 0.000000       0.000000 
1 1 1 2   0  19 o 441.7045 16.77251 9625.000       722.7863 9625.000       722.7863 9625.000       722.7863 441.7045 16.77251 441.7045 16.77251 0.000000       0.000000 
1 1 1 2   0  20 o 242.4949 9.800171 2896.000       231.7523 2896.000       231.7523 2896.000       231.7523 242.4949 9.800171 242.4949 9.800171 0.000000       0.000000 
1 1 1 2   0  21 o 314.2854 8.644235 4851.261       265.4688 4851.261       265.4688 4851.261       265.4688 314.2854 8.644235 314.2854 8.644235 0.000000       0.000000 
1 1 1 2   0  22 o 249.2748 10.04590 3062.000       244.2104 3062.000       244.2104 3062.000       244.2104 249.2748 10.04590 249.2748 10.04590 0.000000       0.000000 
1 1 1 2   0  23 o 42.89598 11.15357 106.6000       40.46496 106.6000       40.46496 106.6000       40.46496 42.89598 11.15357 42.89598 11.15357 0.000000       0.000000 
1 1 1 2   0  24 o 147.7903 4.965276 1073.304       71.64436 1073.304       71.64436 1073.304       71.64436 147.7903 4.965276 147.7903 4.965276 0.000000       0.000000 
1 1 1 2   0  25 o 59.11254 7.693980 179.8000       42.43697 179.8000       42.43697 179.8000       42.43697 59.11254 7.693980 59.11254 7.693980 0.000000       0.000000 
1 1 1 2   0  26 o 55.52687 8.261871 160.9000       41.98235 160.9000       41.98235 160.9000       41.98235 55.52687 8.261871 55.52687 8.261871 0.000000       0.000000 
1 1 1 2   0  27 o 230.6631 6.665592 2614.884       150.2109 2614.884       150.2109 2614.884       150.2109 230.6631 6.665592 230.6631 6.665592 0.000000       0.000000 
1 1 1 2   0  28 o 103.3751 4.525960 526.4572       45.59626 526.4572       45.59626 526.4572       45.59626 103.3751 4.525960 103.3751 4.525960 0.000000       0.000000 
1 1 1 2   0  29 o 146.0612 4.999667 1048.966       71.28954 1048.966       71.28954 1048.966       71.28954 146.0612 4.999667 146.0612 4.999667 0.000000       0.000000 
1 1 1 2   0  30 o 162.0433 5.263862 1290.907       83.29163 1290.907       83.29163 1290.907       83.29163 162.0433 5.263862 162.0433 5.263862 0.000000       0.000000 
1 1 1 2   0  31 o 161.6249 5.287268 1284.459       83.44311 1284.459       83.44311 1284.459       83.44311 161.6249 5.287268 161.6249 5.287268 0.000000       0.000000 
1 1 1 2   0  32 o 331.7540 9.126438 5424.953       295.8557 5424.953       295.8557 5424.953       295.8557 331.7540 9.126438 331.7540 9.126438 0.000000       0.000000 
1 1 1 2   0  33 f 192.7950 5.954911 1828.488       112.1341 1828.488       112.1341 1828.488       112.1341 192.7950 5.954911 192.7950 5.954911 0.000000       0.000000 
1 1 1 2   0  34 o 102.0806 4.925497 514.4558       48.95293 514.4558       48.95293 514.4558       48.95293 102.0806 4.925497 102.0806 4.925497 0.000000       0.000000 
1 1 1 2   0  35 o 69.08186 5.607959 238.7590       37.32715 238.7590       37.32715 238.7590       37.32715 69.08186 5.607959 69.08186 5.607959 0.000000       0.000000 
1 1 1 2   0  36 o 209.5640 6.355715 2164.157       130.1012 2164.157       130.1012 2164.157       130.1012 209.5640 6.355715 209.5640 6.355715 0.000000       0.000000 
1 1 1 2   0  37 o 168.1876 5.564264 1394.141       91.37524 1394.141       91.37524 1394.141       91.37524 168.1876 5.564264 168.1876 5.564264 0.000000       0.000000 
1 1 1 2   0  38 o 176.2742 8.286764 1546.000       142.2591 1546.000       142.2591 1546.000       142.2591 176.2742 8.286764 176.2742 8.286764 0.000000       0.000000 
1 1 1 2   0  39 o 43.38631 12.77524 115.1000       47.14987 115.1000       47.14987 115.1000       47.14987 43.38631 12.77524 43.38631 12.77524 0.000000       0.000000 
1 1 1 2   0  40 o 26.50691 11.52690 50.20297       30.96822 50.20297       30.96822 50.20297       30.96822 26.50691 11.52690 26.50691 11.52690 0.000000       0.000000 
1 1 1 2   0  41 o 90.91774 7.317267 417.4000       64.11780 417.4000       64.11780 417.4000       64.11780 90.91774 7.317267 90.91774 7.317267 0.000000       0.000000 
1 1 1 2   0  42 f 133.2355 5.154310 878.8896       66.99084 878.8896       66.99084 878.8896       66.99084 133.2355 5.154310 133.2355 5.154310 0.000000       0.000000 
1 1 1 2   0  43 o 132.0697 5.202408 864.5620       67.01585 864.5620       67.01585 864.5620       67.01585 132.0697 5.202408 132.0697 5.202408 0.000000       0.000000 
1 1 1 2   0  44 f 85.27960 5.426435 363.6516       44.87086 363.6516       44.87086 363.6516       44.87086 85.27960 5.426435 85.27960 5.426435 0.000000       0.000000 
1 1 1 2   0  45 o 31.33693 11.80210 66.97252       33.86388 66.97252       33.86388 66.97252       33.86388 31.33693 11.80210 31.33693 11.80210 0.000000       0.000000 
1 1 1 2   0  46 o 35.90172 11.22176 81.48457       34.58497 81.48457       34.58497 81.48457       34.58497 35.90172 11.22176 35.90172 11.22176 0.000000       0.000000 
1 1 1 2   0  47 o 61.01237 6.576982 191.8208       38.12513 191.8208       38.12513 191.8208       38.12513 61.01237 6.576982 61.01237 6.576982 0.000000       0.000000 
1 1 1 2   0  48 o 31.21050 11.69823 67.17101       33.34723 67.17101       33.34723 67.17101       33.34723 31.21050 11.69823 31.21050 11.69823 0.000000       0.000000 
1 1 1 2   0  49 o 114.1221 5.095984 650.9171       56.66602 650.9171       56.66602 650.9171       56.66602 114.1221 5.095984 114.1221 5.095984 0.000000       0.000000 
1 1 1 2   0  50 o 10.82044 7.484379 -19.82019      27.00616 -19.82019      27.00616 -19.82019      27.00616 10.82044 7.484379 10.82044 7.484379 0.000000       0.000000 
1 1 1 2   0  51 o 56.20699 6.012805 163.4165       32.12686 163.4165       32.12686 163.4165       32.12686 56.20699 6.012805 56.20699 6.012805 0.000000       0.000000 
1 1 1 2   0  52 o 23.55421 10.61046 41.80915       26.21469 41.80915       26.21469 41.80915       26.21469 23.55421 10.61046 23.55421 10.61046 0.000000       0.000000 
1 1 1 2   0  53 o 35.15345 11.55355 82.06000       35.26892 82.06000       35.26892 82.06000       35.26892 35.15345 11.55355 35.15345 11.55355 0.000000       0.000000 
1 1 1 2   0  54 o 12.04478 8.009083 -5.048141      25.28651 -5.048141      25.28651 -5.048141      25.28651 12.04478 8.009083 12.04478 8.009083 0.000000       0.000000 
1 1 1 2   0  55 o 18.18556 11.49369 14.68000       43.72253 14.68000       43.72253 14.68000       43.72253 18.18556 11.49369 18.18556 11.49369 0.000000       0.000000 
1 1 1 2   0  56 o 43.82113 7.479931 105.8177       29.27959 105.8177       29.27959 105.8177       29.27959 43.82113 7.479931 43.82113 7.479931 0.000000       0.000000 
1 1 1 2   0  57 o 17.24815 10.47789 18.19000       32.96166 18.19000       32.96166 18.19000       32.96166 17.24815 10.47789 17.24815 10.47789 0.000000       0.000000 
1 1 1 2   0  58 o 36.58568 9.492188 81.55204       29.37247 81.55204       29.37247 81.55204       29.37247 36.58568 9.492188 36.58568 9.492188 0.000000       0.000000 
1 1 1 2   0  59 o 26.89657 10.89277 53.13574       28.04255 53.13574       28.04255 53.13574       28.04255 26.89657 10.89277 26.89657 10.89277 0.000000       0.000000 
1 1 1 2   0  60 o 35.14694 9.833243 77.39575       29.27269 77.39575       29.27269 77.39575       29.27269 35.14694 9.833243 35.14694 9.833243 0.000000       0.000000 
1 1 1 2   0  61 o 41.29552 8.518255 98.26292       30.40347 98.26292       30.40347 98.26292       30.40347 41.29552 8.518255 41.29552 8.518255 0.000000       0.000000 
1 1 1 2   0  62 o 24.24630 10.97028 46.19940       28.02805 46.19940       28.02805 46.19940       28.02805 24.24630 10.97028 24.24630 10.97028 0.000000       0.000000 
1 1 1 2   0  63 o 40.33183 8.714674 95.37143       30.17589 95.37143       30.17589 95.37143       30.17589 40.33183 8.714674 40.33183 8.714674 0.000000       0.000000 
1 1 1 2   1  0  o 346.2422 6.567617 5874.145       222.5841 6027.388       320.4463 5731.279       309.4067 350.3952 9.351459 341.6839 9.259756 8.711243       13.16028 
1 1 1 2   1  1  o 508.7829 9.497050 12699.99       472.9633 12854.08       675.5171 12551.81       662.4176 511.0448 13.51614 505.0179 13.41231 6.026917       19.04143 
1 1 1 2   1  2  o 184.1390 4.365294 1660.321       78.68021 1879.000       146.6174 1571.876       93.24357 195.6353 7.671406 179.0658 5.325777 16.56950       9.338863 
1 1 1 2   1  3  o 303.0198 5.810044 4497.958       172.3283 4547.825       245.4392 4449.472       242.0150 304.4431 8.243876 301.1331 8.218336 3.310028       11.64056 
1 1 1 2   1  4  o 390.8382 7.367461 7486.997       281.8520 7602.913       402.8976 7375.899       394.4350 393.4200 10.47173 387.5063 10.40840 5.913666       14.76455 
1 1 1 2   1  5  o 337.3047 6.421402 5574.479       212.0110 5664.646       303.0449 5488.040       296.7131 339.7079 9.121965 334.3718 9.074080 5.336121       12.86659 
1 1 1 2   1  6  o 408.4156 7.697054 8177.157       307.7039 7778.000       592.8442 8324.336       359.9904 397.0663 15.28209 411.9566 8.927569 -14.89026      17.69870 
1 1 1 2   1  7  o 240.4330 4.747923 2831.194       111.7388 2789.000       221.0052 2845.684       129.5114 238.1960 9.498028 241.0190 5.489726 -2.822983      10.97040 
1 1 1 2   1  8  o 421.7127 7.934435 8723.775       327.5208 8989.806       472.9065 8478.549       454.0382 427.4421 11.31289 415.1263 11.18412 12.31580       15.90805 
1 1 1 2   1  9  o 204.5425 4.158401 2049.171       83.25613 2075.406       96.86748 1975.000       162.8765 205.8210 4.808195 200.4038 8.321319 5.417175       9.610572 
1 1 1 2   1  10 o 84.38067 2.595999 348.9202       21.41592 358.4705       24.83253 321.2000       42.30693 85.51186 2.971316 80.77242 5.381791 4.739449       6.147552 
1 1 1 2   1  11 o 54.22612 2.774473 144.3455       14.67740 133.6466       16.50027 184.9000       32.12483 52.14109 3.249139 61.17948 5.420531 -9.038387      6.319736 
1 1 1 2   1  12 o 198.0033 4.084715 1920.209       79.16630 1886.503       90.41015 2031.000       163.9145 196.2335 4.706931 203.2329 8.256999 -6.999390      9.504379 
1 1 1 2   1  13 o 705.5042 15.17584 24555.19       1047.994 25363.06       1313.490 23140.00       1738.455 715.2708 18.77699 679.0752 26.20324 36.19562       32.23639 
1 1 1 2   1  14 o 567.5886 10.57201 15814.26       587.3506 15517.04       819.2513 16128.61       842.5154 561.1986 14.92726 572.1252 15.05769 -10.92657      21.20276 
1 1 1 2   1  15 o 562.9901 10.48889 15551.58       578.0117 15377.19       810.6442 15731.93       824.3932 558.9274 14.83039 565.3245 14.91110 -6.397095      21.03049 
1 1 1 2   1  16 o 509.1307 9.518373 12712.08       474.3493 12758.63       672.4928 12665.99       669.1818 509.3633 13.50010 507.5124 13.48267 1.850861       19.07970 
1 1 1 2   1  17 o 425.5681 8.018528 8876.968       334.0180 8864.300       471.7296 8889.704       473.0187 424.7946 11.35527 425.4012 11.37006 -0.6066589     16.06924 
1 1 1 2   1  18 o 288.8677 6.495629 4088.119       183.6650 4054.122       223.9278 4158.000       321.0471 287.4794 7.965517 290.8043 11.30028 -3.324890      13.82555 
1 1 1 2   1  19 o 180.9462 3.908259 1603.063       69.22118 1596.356       97.64057 1609.840       98.14848 180.4460 5.534656 181.2069 5.540042 -0.7609100     7.830995 
1 1 1 2   1  20 o 213.6308 5.086752 2235.280       106.3679 2241.000       184.5668 2232.435       130.1566 213.5588 8.848544 213.3633 6.238882 0.1954346      10.82684 
1 1 1 2   1  21 o 421.4042 11.30175 8735.157       465.7562 0.000000       0.000000 8735.157       465.7562 ?        ?        421.4042 11.30175 ?              ?        
1 1 1 2   1  22 o 361.1104 7.970382 6398.306       281.7249 6825.000       509.0573 6209.920       338.2462 371.7090 14.01639 355.4006 9.732348 16.30844       17.06393 
1 1 1 2   1  23 f 350.5952 7.753236 6032.614       266.0695 6039.959       326.1512 6018.000       460.0461 350.4326 9.517228 348.9265 13.49525 1.506165       16.51361 
1 1 1 2   1  24 o 264.7012 6.056076 3436.034       156.9110 3369.673       189.8672 3579.000       278.6821 261.8982 7.413929 269.3943 10.58915 -7.496124      12.92658 
1 1 1 2   1  25 o 64.79379 4.033292 206.4716       25.45308 192.7000       43.83404 213.4773       31.26378 62.21671 7.338825 65.81482 4.887909 -3.598114      8.817596 
1 1 1 2   1  26 o 311.2036 6.038939 4751.843       183.9550 4689.530       258.0598 4816.218       262.2951 308.6493 8.550027 312.7884 8.575180 -4.139099      12.10936 
1 1 1 2   1  27 o 176.6825 3.894209 1529.571       67.34711 1515.080       94.92867 1544.256       95.56087 175.6534 5.528099 177.3399 5.511819 -1.686569      7.806409 
1 1 1 2   1  28 o 181.7979 3.952016 1619.673       70.32567 1601.166       98.89790 1638.605       100.0227 180.5498 5.602859 182.6507 5.601245 -2.100830      7.922498 
1 1 1 2   1  29 o 197.7099 4.192232 1916.171       81.12970 1929.195       115.2600 1903.381       114.2166 198.1303 5.949958 196.8010 5.935978 1.329300       8.404632 
1 1 1 2   1  30 o 188.4948 4.071003 1741.737       75.11160 1683.465       104.2953 1804.528       108.2635 185.0747 5.764227 191.6180 5.778782 -6.543289      8.162147 
1 1 1 2   1  31 o 197.7550 4.218732 1917.572       81.66118 1920.365       115.5188 1914.783       115.4539 197.6216 5.978770 197.3331 5.984179 0.2884979      8.459084 
1 1 1 2   1  32 o 104.0281 3.346214 530.8806       34.02871 516.3224       47.87221 545.7489       48.37952 102.4634 4.786414 105.3575 4.703119 -2.894081      6.710371 
1 1 1 2   1  33 o 175.3270 3.959342 1507.484       67.94819 1500.004       95.98144 1515.000       96.20545 174.6227 5.622725 175.4966 5.607670 -0.8739319     7.941096 
1 1 1 2   1  34 o 181.6120 4.049338 1618.181       71.98383 1577.765       100.6863 1660.437       102.9525 179.0163 5.753552 183.6547 5.734046 -4.638458      8.122971 
1 1 1 2   1  35 o 104.0323 3.469465 531.3645       35.28004 547.1359       50.59001 516.4327       49.22501 105.4001 4.917181 102.3924 4.925924 3.007713       6.960129 
1 1 1 2   1  36 o 242.1598 5.755094 2889.590       136.4145 2773.058       163.0915 3161.000       248.8976 236.7249 7.046361 251.2993 10.13949 -14.57439      12.34749 
1 1 1 2   1  37 o 118.2153 4.044813 687.4793       46.73458 687.4793       46.73458 0.000000       0.000000 118.2153 4.044813 ?        ?        ?              ?        
1 1 1 2   1  38 o 133.5506 3.614540 876.9123       47.20693 903.7869       54.78269 799.4000       93.03752 135.4881 4.135661 126.5298 7.546345 8.958275       8.605289 
1 1 1 2   1  39 o 76.71997 4.371685 290.9240       32.69355 286.5049       39.58945 300.4000       57.97329 75.94556 5.360060 77.16164 7.781945 -1.216072      9.449282 
1 1 1 2   1  40 o 212.4917 6.495543 2249.906       134.9439 2239.000       190.0321 2261.000       191.6573 210.0542 9.265295 211.0573 9.300075 -1.003098      13.12772 
1 1 1 2   1  41 o 56.48116 4.489460 158.6075       24.61604 176.3356       35.09964 141.4481       34.53198 59.18797 6.147932 52.75742 6.848468 6.430550       9.203183 
1 1 1 2   1  42 o 118.4018 4.104971 693.1865       47.50259 782.0000       86.06533 654.2781       56.96531 124.5336 7.089790 114.7127 5.085971 9.820938       8.725379 
1 1 1 2   1  43 o 51.75591 4.987205 134.2435       24.95275 119.6882       34.94625 149.3834       35.64105 48.06605 7.686582 54.07882 6.889324 -6.012775      10.32213 
1 1 1 2   1  44 o 132.8104 3.678037 871.6741       47.76788 856.0261       67.05148 887.8002       68.06796 130.9624 5.241232 133.3831 5.223678 -2.420609      7.399819 
1 1 1 2   1  45 o 81.83023 3.823349 331.8693       30.53947 322.6993       42.88243 341.3065       43.50293 80.15634 5.498880 82.47469 5.418812 -2.318352      7.720182 
1 1 1 2   1  46 o 32.91998 7.538219 57.44713       23.76600 75.58076       34.09698 40.31328       33.14370 37.33394 9.351475 28.49085 9.812031 8.843092       13.55456 
1 1 1 2   1  47 o 38.70729 6.703179 78.22559       24.47743 54.10320       34.26410 103.3660       34.97962 31.71605 9.931031 43.93633 8.440314 -12.22027      13.03320 
1 1 1 2   1  48 o 53.65578 4.826967 145.3909       25.08042 154.3369       34.96484 135.9097       35.99575 54.55026 6.688064 50.80112 7.461048 3.749146       10.01985 
1 1 1 2   1  49 o 39.67286 6.064363 81.95550       22.80304 81.64700       31.85060 82.27990       32.66143 38.51694 8.659156 38.59148 8.837181 -0.7454300E-01 12.37242 
1 1 1 2   1  50 o 67.70856 3.890787 229.3940       25.67761 189.8916       34.92918 275.8451       37.87692 60.68382 5.957121 73.60545 5.292582 -12.92163      7.968608 
1 1 1 2   1  51 o 34.71014 6.199889 63.60055       20.29124 57.71685       27.63959 70.47856       29.88394 32.18184 8.607131 35.54142 8.668773 -3.359581      12.21599 
1 1 1 2   1  52 o 33.84674 6.641011 61.29144       21.21557 54.33393       26.36600 74.07000       35.73207 31.21897 8.431540 35.84558 9.871328 -4.626612      12.98206 
1 1 1 2   1  53 o 62.02170 3.814622 193.0897       23.04598 203.4744       32.53607 182.6334       32.64809 62.94044 5.331260 59.41919 5.682535 3.521252       7.791889 
1 1 1 2   1  54 o 63.38382 5.461977 207.2994       33.55688 223.9000       42.98642 181.4000       53.69256 64.95150 6.865156 55.91446 10.18548 9.037041       12.28309 
1 1 1 2   1  55 o 30.72668 7.243772 52.20319       21.42868 56.69000       34.26180 49.32039       27.46306 31.10408 9.954829 29.37649 8.835228 1.727598       13.31014 
1 1 1 2   1  56 o 43.29162 7.378996 102.8060       30.14826 0.000000       0.000000 102.8060       30.14826 ?        ?        43.29162 7.378996 ?              ?        
1 1 1 2   1  57 o 36.45582 5.904055 70.63252       20.34808 74.68697       29.77591 67.08012       27.87147 36.08172 8.560616 34.25404 8.382190 1.827686       11.98104 
1 1 1 2   1  58 o 39.35685 6.830337 84.26397       25.35914 108.7838       29.98415 22.66000       47.52667 44.65924 7.096336 25.71046 10.89777 18.94878       13.00459 
1 1 1 2   1  59 o 30.88079 6.861001 52.53873       20.19999 33.31529       28.23105 72.70552       28.91544 25.03375 9.017861 35.58312 8.431854 -10.54937      12.34577 
1 1 1 2   1  60 o 18.98896 7.372806 14.78855       19.61647 -1.314825      27.15046 32.37568       28.37371 17.89929 7.904279 24.74537 9.022673 -6.846079      11.99526 
1 1 1 2   1  61 o 29.16586 7.097824 47.59475       20.06842 51.43216       28.18978 43.65141       28.57623 29.57026 8.963956 27.47935 9.112094 2.090908       12.78213 
1 1 1 2   1  62 o 22.11239 7.531838 26.30328       19.51619 13.13610       27.28992 40.08650       27.92102 20.26052 8.399449 26.39054 9.008435 -6.130022      12.31676 
1 1 1 2   1  63 o 19.27513 7.517542 15.88335       20.46625 0.4135570      26.69046 37.96000       31.88456 17.83241 7.857439 25.92048 9.546056 -8.088064      12.36392 
1 1 1 2   2  0  o 278.5158 5.384308 3799.422       146.7864 3767.678       206.5520 3831.810       208.6385 277.1363 7.621532 279.4857 7.633708 -2.349426      10.78709 
1 1 1 2   2  1  o 315.2330 6.021513 4868.180       185.7991 4901.648       264.0613 4835.364       261.4768 316.0427 8.543807 313.8995 8.518007 2.143188       12.06454 
1 1 1 2   2  2  o 305.0238 8.277278 4565.280       246.9027 4450.000       343.1668 4689.000       355.5063 300.7580 11.67907 308.7262 11.78599 -7.968170      16.59247 
1 1 1 2   2  3  o 352.7154 6.689248 6096.087       230.9447 6217.254       330.9553 5981.088       322.4220 355.8575 9.509910 349.0359 9.445996 6.821594       13.40393 
1 1 1 2   2  4  o 130.4130 2.972136 832.5720       37.93987 843.9655       54.04620 821.5025       53.27231 131.2190 4.213332 129.4593 4.209591 1.759689       5.955907 
1 1 1 2   2  5  o 353.9273 6.714175 6138.080       232.6017 6333.000       474.7087 6076.496       266.8280 358.5822 13.54922 352.0768 7.742617 6.505402       15.60543 
1 1 1 2   2  6  o 414.5168 7.798042 8424.253       316.3982 8741.000       648.8150 8325.427       362.4113 420.7955 15.78024 411.9584 8.987568 8.837128       18.16019 
1 1 1 2   2  7  o 403.3194 7.613527 7976.240       300.5669 8689.000       636.5953 7771.767       340.9646 419.4189 15.53317 397.9950 8.752365 21.42392       17.82928 
1 1 1 2   2  8  o 360.1181 6.832224 6358.419       240.8315 6318.655       339.0776 6398.900       342.1170 358.5374 9.670639 360.8045 9.695951 -2.267029      13.69426 
1 1 1 2   2  9  o 214.6526 4.323044 2257.021       90.83057 2287.392       105.6557 2171.000       177.8114 216.0598 4.995889 210.0635 8.666356 5.996246       10.00323 
1 1 1 2   2  10 f 476.9804 8.946366 11182.55       417.6894 11393.50       488.6138 10610.00       804.9789 481.1030 10.37580 461.3427 17.85977 19.76035       20.65499 
1 1 1 2   2  11 o 361.8854 6.878718 6425.147       243.6603 6340.653       278.7265 6699.000       501.7909 359.3541 7.924089 367.8582 13.96127 -8.504089      16.05330 
1 1 1 2   2  12 o 134.3658 3.649786 884.7584       47.95787 871.1450       57.90253 914.5000       85.58462 133.2846 4.444461 136.4224 6.427272 -3.137741      7.814286 
1 1 1 2   2  13 o 279.4976 5.444023 3826.985       148.9376 3871.334       173.1793 3701.000       291.8852 281.0662 6.294788 274.2429 10.89521 6.823364       12.58292 
1 1 1 2   2  14 o 384.9279 7.291038 7261.623       274.7103 7247.966       316.8152 7303.000       551.4779 384.4775 8.418386 384.9424 14.66294 -0.4648132     16.90772 
1 1 1 2   2  15 o 230.6564 4.645178 2605.072       104.8755 2520.540       118.4821 2911.000       225.3992 226.8656 5.335533 243.4529 9.476796 -16.58730      10.87555 
1 1 1 2   2  16 o 235.0399 5.461895 2705.524       125.6583 2705.524       125.6583 0.000000       0.000000 235.0399 5.461895 ?        ?        ?              ?        
1 1 1 2   2  17 o 211.4249 5.005217 2188.991       103.5822 2181.498       126.8276 2204.000       179.5065 210.9418 6.149058 211.8471 8.675035 -0.9052734     10.63330 
1 1 1 2   2  18 o 214.9607 4.406631 2262.576       92.71970 2218.052       129.4834 2309.433       132.8317 212.6934 6.226176 217.0321 6.259292 -4.338715      8.828590 
1 1 1 2   2  19 o 521.5815 9.747641 13348.23       497.6545 13233.35       699.5659 13465.93       708.0911 518.4925 13.79641 523.0216 13.84348 -4.529114      19.54438 
1 1 1 2   2  20 o 305.5256 8.400254 4581.475       250.9769 4269.000       337.7031 4967.000       375.1061 294.5096 11.73817 317.6586 12.08593 -23.14905      16.84798 
1 1 1 2   2  21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   2  22 o 417.2948 9.124521 8551.484       372.6999 8747.000       655.1168 8457.924       453.1842 420.2780 15.95384 414.5044 11.17985 5.773621       19.48112 
1 1 1 2   2  23 o 304.4204 6.835133 4545.561       203.6700 4640.405       253.0211 4371.000       343.2604 307.2897 8.420000 297.6354 11.80580 9.654358       14.50080 
1 1 1 2   2  24 o 348.3526 7.728686 5958.716       263.5305 5716.000       442.9854 6091.665       327.8549 339.8192 13.34383 351.7878 9.530045 -11.96857      16.39754 
1 1 1 2   2  25 o 201.9018 4.896291 1998.107       96.76397 1994.683       118.3793 2005.000       167.9751 201.5625 6.006819 201.7606 8.524757 -0.1981049     10.42849 
1 1 1 2   2  26 o 109.5752 3.173351 588.5316       33.99999 578.4979       48.01707 598.6208       48.14968 108.5489 4.529178 110.4288 4.463761 -1.879913      6.359136 
1 1 1 2   2  27 o 184.9505 3.986669 1676.195       72.17252 1700.296       102.9595 1652.912       101.1980 186.0732 5.659545 183.4617 5.642048 2.611557       7.991443 
1 1 1 2   2  28 o 168.3213 4.338449 1389.757       71.41962 1509.000       128.7455 1336.750       85.83810 175.0093 7.533261 164.9826 5.322361 10.02666       9.223749 
1 1 1 2   2  29 o 160.8593 4.245950 1269.385       66.79551 1252.777       81.64517 1303.000       116.1563 159.7052 5.229875 162.6032 7.316809 -2.897964      8.993735 
1 1 1 2   2  30 o 101.7069 3.225533 507.2940       32.07072 472.3047       44.72594 544.3229       46.01105 98.01973 4.675127 105.2616 4.475881 -7.241859      6.472273 
1 1 1 2   2  31 o 99.54164 3.300469 486.0352       32.11336 458.9805       45.06738 513.9413       45.77108 96.60535 4.780862 102.2581 4.584513 -5.652710      6.623776 
1 1 1 2   2  32 o 202.7971 4.320511 2017.270       85.76363 1999.401       120.6089 2035.548       121.9789 201.5806 6.119666 203.3937 6.133912 -1.813156      8.664594 
1 1 1 2   2  33 o 66.06968 4.664170 215.3025       29.96971 212.0545       36.61088 221.9000       52.17911 65.43098 5.775609 66.55855 8.181054 -1.127571      10.01435 
1 1 1 2   2  34 o 164.1570 3.846526 1321.788       61.80654 1341.357       72.00339 1267.000       120.4787 165.2455 4.455675 160.0014 7.715463 5.244095       8.909624 
1 1 1 2   2  35 o 151.2865 3.706734 1122.838       54.89058 1107.671       62.94283 1171.000       112.1634 150.1400 4.287345 153.7578 7.474999 -3.617767      8.617248 
1 1 1 2   2  36 o 265.5959 6.190602 3480.068       160.9387 3480.068       160.9387 0.000000       0.000000 265.5959 6.190602 ?        ?        ?              ?        
1 1 1 2   2  37 o 163.8172 3.876258 1318.293       62.15532 1296.903       71.17563 1387.000       127.5656 162.3199 4.484040 166.9046 7.830170 -4.584671      9.023203 
1 1 1 2   2  38 o 125.8871 4.078244 780.2748       50.18653 787.1859       61.28156 766.2000       87.45354 126.2616 4.968219 123.9500 7.239679 2.311638       8.780442 
1 1 1 2   2  39 o 55.36721 5.180400 152.7449       27.74918 172.1038       33.57241 111.0000       49.29964 58.64716 5.929666 45.75506 11.11845 12.89210       12.60083 
1 1 1 2   2  40 o 82.31134 4.277538 334.9682       34.34528 317.7925       41.18283 374.2000       62.24129 79.95157 5.292173 86.15932 7.453464 -6.207748      9.141183 
1 1 1 2   2  41 o 77.92248 4.406595 300.9102       33.47330 302.1149       40.72099 298.4000       58.78031 77.84377 5.377313 76.53608 7.962466 1.307686       9.608140 
1 1 1 2   2  42 o 122.1948 4.120808 738.3706       49.21750 811.9609       61.94733 612.4000       81.04888 127.8547 4.959344 109.9112 7.579956 17.94344       9.058191 
1 1 1 2   2  43 f 137.0854 4.249461 930.7169       56.95167 906.9000       97.57513 943.0229       70.13830 133.6715 7.487439 137.5790 5.217768 -3.907455      9.126163 
1 1 1 2   2  44 o 49.58207 5.167469 123.7075       24.71130 115.1127       35.09853 132.1555       34.79753 46.96184 7.916738 50.63554 7.225499 -3.673706      10.71833 
1 1 1 2   2  45 o 37.24131 6.817160 72.14440       23.93499 36.42454       33.22888 110.6618       34.50558 27.68725 9.804708 45.93393 7.962940 -18.24668      12.63094 
1 1 1 2   2  46 o 59.36444 4.546362 176.2727       26.21679 185.8453       36.26262 165.7901       37.94698 60.41304 6.221121 56.74188 6.979165 3.671158       9.349390 
1 1 1 2   2  47 o 55.48923 4.742249 154.8374       25.51058 155.3336       34.79234 154.2604       37.51626 54.90519 6.606451 54.45653 7.215629 0.4486580      9.783174 
1 1 1 2   2  48 o 85.06152 3.770673 360.0724       31.31681 355.7152       43.50492 364.7582       45.11633 83.85866 5.327649 84.85251 5.461035 -0.9938507     7.629334 
1 1 1 2   2  49 f 33.35531 7.078695 59.58314       22.39521 70.64783       30.09212 45.84656       33.52915 35.76989 8.683182 29.28863 9.873083 6.481255       13.14821 
1 1 1 2   2  50 o 31.65516 6.914447 53.79195       20.82333 56.87388       28.33406 50.17244       30.70601 31.99006 8.782604 30.13454 9.396083 1.855518       12.86159 
1 1 1 2   2  51 o 34.97265 6.983964 65.69602       23.07017 55.65309       28.13641 86.30000       40.30083 31.56244 8.785583 38.52060 10.43299 -6.958162      13.63942 
1 1 1 2   2  52 o 36.48398 5.837111 69.73462       20.14284 71.22761       27.39164 67.97661       29.72359 35.95078 7.991118 34.78521 8.741393 1.165573       11.84356 
1 1 1 2   2  53 f 48.60187 5.314849 121.8043       24.87253 147.1980       29.23077 55.18000       47.34703 53.28549 5.692417 31.50575 11.62750 21.77975       12.94613 
1 1 1 2   2  54 o 38.93616 5.242304 78.66163       19.47220 91.53098       27.92546 66.48279       27.16594 41.09999 7.203959 34.44102 8.180434 6.658966       10.90030 
1 1 1 2   2  55 o 48.83628 5.098693 123.1963       24.01429 95.51000       38.24822 141.2120       30.85356 40.21301 9.806561 51.68406 6.223897 -11.47105      11.61488 
1 1 1 2   2  56 o 50.00089 5.122264 129.3599       24.71555 144.2000       41.20797 121.0221       30.88795 50.49194 8.648765 47.36649 6.861718 3.125446       11.04012 
1 1 1 2   2  57 o 47.11041 5.666604 116.4259       25.60638 101.9000       50.80099 121.3736       29.64825 39.68072 12.03440 47.60936 6.534300 -7.928642      13.69394 
1 1 1 2   2  58 o 49.85690 4.503706 127.2611       21.74192 114.5402       31.12425 139.3844       30.38454 45.78683 7.180624 51.24110 6.182814 -5.454269      9.475682 
1 1 1 2   2  59 o 65.66643 3.921681 217.9946       25.09221 207.7525       35.52838 228.1877       35.44326 62.90287 5.836886 66.17480 5.522149 -3.271938      8.035133 
1 1 1 2   2  60 o 27.38099 7.372971 42.11353       20.19745 64.49747       28.62804 19.93027       28.49942 33.24885 8.698261 22.01910 8.782366 11.22975       12.36081 
1 1 1 2   2  61 o 42.51732 5.214967 94.63375       21.24924 92.72399       29.82924 96.60136       30.27770 40.54903 7.798608 41.44161 7.748955 -0.8925858     10.99384 
1 1 1 2   2  62 o 73.88384 4.181653 278.4328       30.11807 279.5271       38.47046 276.7000       48.40870 73.04043 5.419551 71.09337 7.049186 1.947060       8.891713 
1 1 1 2   2  63 o 18.54885 7.302185 13.93595       19.46287 1.801008       27.63539 25.87831       27.41523 18.29746 8.031114 22.79935 8.752116 -4.501892      11.87848 
1 1 1 2   3  0  o 500.8883 9.345553 12307.95       458.1969 12408.86       651.8460 12209.40       644.1982 502.1613 13.27322 498.1165 13.22412 4.044800       18.73648 
1 1 1 2   3  1  o 266.5391 5.176561 3479.474       135.0543 3456.673       190.2554 3502.633       191.7446 265.4669 7.328856 267.2265 7.337510 -1.759644      10.37069 
1 1 1 2   3  2  o 707.5276 13.14529 24614.56       910.3741 24843.19       1296.072 24391.91       1279.024 708.8795 18.69518 702.4360 18.61868 6.443542       26.38494 
1 1 1 2   3  3  o 613.1772 11.39391 18465.96       683.8566 18401.21       964.0593 18531.54       970.2087 610.8176 16.13863 612.9649 16.18466 -2.147339      22.85604 
1 1 1 2   3  4  o 528.4999 9.853667 13705.80       509.7404 13760.00       1020.735 13687.79       588.3567 527.0867 19.81979 527.9211 11.38585 -0.8344116     22.85742 
1 1 1 2   3  5  f 349.4884 6.637700 5985.346       227.0683 6313.000       470.3076 5885.753       259.2915 357.9793 13.44591 346.4973 7.645083 11.48206       15.46738 
1 1 1 2   3  6  o 139.2866 3.111005 949.7883       42.41469 989.9010       61.13664 912.5655       58.89311 142.1079 4.400486 136.4377 4.415667 5.670242       6.233971 
1 1 1 2   3  7  o 286.6827 5.539542 4026.769       155.4467 4104.350       222.6336 3952.970       217.1391 289.1628 7.873110 283.7814 7.824611 5.381470       11.10002 
1 1 1 2   3  8  o 229.3640 4.563882 2576.991       102.4627 2574.656       144.6983 2579.340       145.1109 229.0674 6.459934 229.2747 6.472506 -0.2073364     9.144620 
1 1 1 2   3  9  o 246.5990 4.860890 2979.787       117.3312 3102.039       170.1729 2869.007       161.9919 251.3556 6.923238 241.7307 6.853207 9.624969       9.741544 
1 1 1 2   3  10 o 99.60902 2.697745 486.1416       26.27881 481.0892       29.83997 503.6000       55.46949 99.07260 3.080823 101.1971 5.621990 -2.124519      6.410791 
1 1 1 2   3  11 o 396.9363 7.500757 7732.422       291.4286 7847.750       339.8521 7412.000       566.4776 399.6978 8.686645 386.7530 14.99223 12.94479       17.32699 
1 1 1 2   3  12 o 92.65451 3.823442 421.1113       34.60136 421.1113       34.60136 0.000000       0.000000 92.65451 3.823442 ?        ?        ?              ?        
1 1 1 2   3  13 o 519.3612 9.701547 13238.92       493.1928 13368.69       573.4153 12870.00       966.7971 521.6484 11.23014 509.5424 19.41979 12.10596       22.43310 
1 1 1 2   3  14 o 414.4677 7.813707 8419.908       316.9962 8399.519       365.3542 8482.000       637.5731 413.8627 9.018859 414.7545 15.73334 -0.8917542     18.13498 
1 1 1 2   3  15 o 482.4229 10.43315 11418.15       492.6627 11418.15       492.6627 0.000000       0.000000 482.4229 10.43315 ?        ?        ?              ?        
1 1 1 2   3  16 o 103.7766 3.467407 527.8104       35.17226 527.8104       35.17226 0.000000       0.000000 103.7766 3.467407 ?        ?        ?              ?        
1 1 1 2   3  17 o 451.9796 8.492735 10015.20       375.7272 10054.79       435.0492 9899.000       745.3365 452.7415 9.817070 447.8737 17.03267 4.867737       19.65927 
1 1 1 2   3  18 o 116.7190 3.195631 667.4156       36.47503 627.6660       40.75517 827.4000       81.76273 113.1676 3.684118 129.7947 6.455909 -16.62710      7.433135 
1 1 1 2   3  19 o 369.9155 9.993642 6720.145       361.5218 6720.145       361.5218 0.000000       0.000000 369.9155 9.993642 ?        ?        ?              ?        
1 1 1 2   3  20 o 149.0220 3.535538 1087.284       51.57176 1032.461       57.89310 1298.000       113.5003 145.1500 4.078818 162.5707 7.150095 -17.42072      8.231684 
1 1 1 2   3  21 o 196.3138 4.802231 1887.729       92.27840 1850.556       111.4011 1969.000       164.7182 194.2433 5.865905 200.1460 8.426775 -5.902679      10.26739 
1 1 1 2   3  22 o 281.2641 7.841784 3884.774       215.6807 3646.000       292.5703 4169.000       319.2043 272.0271 11.01058 290.8749 11.23242 -18.84784      15.72896 
1 1 1 2   3  23 o 183.8786 5.661656 1658.936       101.7801 1544.000       138.4722 1794.000       150.1086 177.1602 8.005971 190.9870 8.047668 -13.82681      11.35168 
1 1 1 2   3  24 o 144.8835 4.012417 1029.069       56.84770 978.8613       67.79333 1148.000       104.3395 141.2417 4.911104 152.7838 6.995507 -11.54214      8.547284 
1 1 1 2   3  25 o 299.0146 6.734256 4388.716       197.1007 4484.215       244.8719 4213.000       332.1593 301.9092 8.294076 291.8894 11.64917 10.01984       14.30017 
1 1 1 2   3  26 o 364.0973 8.049668 6517.916       286.8809 6678.515       357.1820 6226.000       481.5552 367.9858 9.925422 353.9738 13.92570 14.01199       17.10085 
1 1 1 2   3  27 o 183.2068 4.590444 1646.487       82.25464 1662.496       101.0242 1615.000       141.6781 183.9914 5.616043 181.0185 8.015895 2.972885       9.787467 
1 1 1 2   3  28 o 273.0165 5.419102 3657.313       144.8180 3715.592       169.1043 3497.000       280.4692 275.0628 6.280822 265.7476 10.80478 9.315186       12.49768 
1 1 1 2   3  29 o 156.0134 4.238904 1194.120       64.67241 1173.348       78.50161 1238.000       114.0951 154.5554 5.196442 158.4742 7.375557 -3.918793      9.022298 
1 1 1 2   3  30 o 251.9082 5.862936 3116.394       144.5652 3116.394       144.5652 0.000000       0.000000 251.9082 5.862936 ?        ?        ?              ?        
1 1 1 2   3  31 o 342.1694 6.615534 5757.269       221.5707 5865.345       259.0830 5463.000       427.5118 345.0854 7.670190 330.7232 13.23290 14.36215       15.29514 
1 1 1 2   3  32 o 306.0111 5.997229 4603.017       179.6362 4683.935       209.8340 4381.000       347.5723 308.4592 6.949794 296.3788 12.00581 12.08041       13.87225 
1 1 1 2   3  33 o 152.4187 3.715217 1139.063       55.42793 1127.838       63.71256 1174.000       112.4055 151.5584 4.299102 154.1331 7.472770 -2.574631      8.621170 
1 1 1 2   3  34 o 187.3841 4.141275 1722.988       75.95792 1768.819       88.79860 1598.000       146.6438 189.7168 4.785650 179.5470 8.367109 10.16985       9.639033 
1 1 1 2   3  35 o 207.0698 5.120706 2108.317       103.7894 2108.317       103.7894 0.000000       0.000000 207.0698 5.120706 ?        ?        ?              ?        
1 1 1 2   3  36 o 114.6847 3.472028 645.9503       38.93090 660.3760       45.30067 605.2000       76.13770 115.8940 3.999343 110.3916 7.083626 5.502441       8.134648 
1 1 1 2   3  37 o 96.54855 3.986898 458.8274       37.59687 454.3650       45.67845 468.2000       66.19980 95.94093 4.880116 96.95824 7.022946 -1.017311      8.552035 
1 1 1 2   3  38 o 136.3820 4.143557 915.9459       55.25002 863.8090       65.68964 1042.000       102.1416 132.2329 5.084650 144.5807 7.240532 -12.34775      8.847540 
1 1 1 2   3  39 o 48.04618 5.129479 115.3118       23.75068 101.8566       26.99591 161.4000       49.96297 44.87588 6.320689 55.82362 9.482624 -10.94775      11.39611 
1 1 1 2   3  40 o 166.9187 3.939820 1372.490       64.37061 1371.993       74.19924 1374.000       129.4214 166.6471 4.553051 165.1529 8.030033 1.494217       9.231019 
1 1 1 2   3  41 o 66.54046 4.177628 219.4121       27.07226 214.6000       30.97032 235.0000       55.74077 65.66168 4.852970 67.57212 8.623763 -1.910439      9.895484 
1 1 1 2   3  42 o 63.64343 4.861905 201.9484       30.05843 214.5678       36.48790 175.3000       53.02315 65.37630 5.760804 57.68486 9.736949 7.691444       11.31349 
1 1 1 2   3  43 o 50.01737 5.883584 126.6461       28.25477 132.1969       34.10530 114.5000       50.45019 50.76164 7.054419 45.74449 11.32745 5.017155       13.34451 
1 1 1 2   3  44 o 55.83513 5.439673 156.9820       29.35293 155.5000       52.88592 157.6418       35.28699 53.68248 10.44072 55.58785 6.614871 -1.905373      12.35982 
1 1 1 2   3  45 o 64.24509 5.038239 206.9532       31.42961 261.6000       56.43902 182.3888       37.83989 70.93812 8.283949 59.77967 6.575250 11.15844       10.57628 
1 1 1 2   3  46 o 67.54237 4.174582 227.2138       27.46426 220.4043       37.31123 235.2664       40.57428 65.97549 5.837827 68.05376 6.157616 -2.078278      8.485073 
1 1 1 2   3  47 o 106.0828 3.616803 558.0707       37.50078 561.2802       52.15318 554.6349       53.96125 105.7329 5.053866 104.9899 5.267663 0.7430191      7.299989 
1 1 1 2   3  48 o 77.35674 3.872523 298.2453       29.22908 326.5765       40.39630 267.1151       42.34483 80.40508 5.160008 72.26511 6.041637 8.139969       7.945254 
1 1 1 2   3  49 o 30.52490 7.370758 50.34659       21.77165 37.94840       28.71593 67.10872       33.38937 26.97357 9.136857 34.57835 9.550016 -7.604788      13.21684 
1 1 1 2   3  50 o 32.52711 7.555936 57.52765       23.59595 45.13025       28.51418 84.46000       42.02744 28.74713 9.067635 38.10511 10.78452 -9.357981      14.08999 
1 1 1 2   3  51 o 38.58224 5.695466 77.48026       20.86325 109.9515       29.01022 42.69489       30.02617 45.62370 6.695211 28.07780 9.341329 17.54590       11.49288 
1 1 1 2   3  52 o 33.82354 7.399283 62.34218       23.81412 59.94134       27.86848 68.84000       45.84742 32.70569 8.594666 34.26867 11.54512 -1.562984      14.39299 
1 1 1 2   3  53 o 53.85582 4.297738 146.8192       22.46794 149.0500       31.16784 144.4059       32.41796 53.41180 6.069098 52.34749 6.463960 1.064304       8.866607 
1 1 1 2   3  54 o 60.44795 3.863848 183.8721       22.74197 177.7368       31.94077 190.1803       32.38790 58.53182 5.644976 60.63623 5.517233 -2.104416      7.893390 
1 1 1 2   3  55 o 33.54333 7.425928 62.33762       23.73707 17.00000       45.68435 79.10397       27.78161 24.86714 10.61728 37.69520 7.787287 -12.82807      13.16695 
1 1 1 2   3  56 o 72.45282 3.681553 263.9102       26.02355 271.7545       36.83301 256.0916       36.77279 72.56831 5.220303 70.32243 5.383202 2.245880       7.498695 
1 1 1 2   3  57 o 34.10745 6.671041 63.32266       21.47330 94.29000       35.36302 45.23500       27.02642 40.21475 9.185714 28.13433 8.821530 12.08042       12.73565 
1 1 1 2   3  58 o 28.61176 8.101246 46.57629       23.71037 61.57000       48.04765 41.74967       27.26084 31.86285 11.72120 27.14217 8.895352 4.720678       14.71441 
1 1 1 2   3  59 o 75.08120 5.399200 292.6527       39.41460 229.8000       59.46601 341.9000       52.63781 62.31015 10.09510 79.88051 6.796584 -17.57036      12.16982 
1 1 1 2   3  60 o 24.80497 7.488904 34.27831       19.70375 48.23851       27.76175 20.10781       27.97006 28.79362 8.927285 21.95409 8.718725 6.839535       12.47849 
1 1 1 2   3  61 o 25.75293 7.883638 37.53365       21.73346 13.47955       28.43286 71.34000       33.70740 20.67294 8.572259 34.29747 9.641363 -13.62453      12.90114 
1 1 1 2   3  62 o 19.47778 7.406415 17.22838       19.51184 30.27205       28.03577 4.975796       27.17231 23.97611 8.928959 18.76122 8.101645 5.214895       12.05666 
1 1 1 2   3  63 o 49.00819 4.733256 124.8399       22.42349 134.5316       31.71501 115.1524       31.70819 49.50351 6.718437 45.23320 7.418508 4.270309       10.00858 
1 1 1 2   4  0  o 420.6250 7.901573 8673.626       325.3231 8618.761       458.0995 8729.448       462.0789 418.7899 11.18527 421.4684 11.21065 -2.678558      15.83631 
1 1 1 2   4  1  o 739.0167 13.70647 26865.19       991.4845 27112.90       1411.384 26623.84       1393.136 740.2523 19.49563 733.5724 19.41898 6.679932       27.51684 
1 1 1 2   4  2  o 468.6586 8.774153 10771.94       402.5020 11103.45       581.9937 10468.00       557.2590 475.1403 12.52475 461.3658 12.35083 13.77448       17.59013 
1 1 1 2   4  3  o 727.4207 13.49822 26027.65       961.0992 24210.00       1823.007 26727.33       1131.054 695.9464 26.81140 736.4839 15.68967 -40.53754      31.06472 
1 1 1 2   4  4  o 346.9282 6.599995 5898.059       224.1245 6213.000       462.6077 5801.461       256.2003 355.1281 13.33194 344.0034 7.608705 11.12460       15.35034 
1 1 1 2   4  5  o 569.3987 10.61454 15923.98       591.5939 15704.76       827.4044 16153.27       846.1922 564.2766 14.99355 572.2454 15.12033 -7.968811      21.29392 
1 1 1 2   4  6  o 381.8320 7.218260 7148.601       269.7809 7364.115       389.5761 6950.020       373.9584 387.0421 10.29233 376.0147 10.16977 11.02737       14.46915 
1 1 1 2   4  7  o 274.5043 5.334429 3692.178       143.3321 3684.730       202.3721 3699.674       203.0338 273.9631 7.553829 274.5174 7.563212 -0.5543518     10.68936 
1 1 1 2   4  8  o 105.7172 3.121569 547.7176       32.26627 606.3000       56.64988 519.5865       39.25623 111.1047 5.223695 102.9234 3.903696 8.181328       6.521183 
1 1 1 2   4  9  o 140.3163 3.169607 964.1153       43.53313 992.8537       62.20619 936.5317       60.94353 142.2839 4.472096 138.1826 4.511808 4.101303       6.352642 
1 1 1 2   4  10 o 108.2719 3.257905 574.5663       34.48783 592.5640       42.01641 537.4000       60.37898 109.9214 3.911319 104.5252 5.925719 5.396179       7.100180 
1 1 1 2   4  11 o 218.5082 4.400588 2338.764       94.12058 2337.707       108.4051 2342.000       189.6974 218.4279 5.070320 218.1892 8.900913 0.2387695      10.24375 
1 1 1 2   4  12 o 343.7373 6.559611 5791.353       220.7044 5831.229       256.0247 5676.000       435.4569 344.8317 7.585226 339.2838 13.13703 5.547852       15.16962 
1 1 1 2   4  13 o 328.1478 6.281175 5275.751       201.7514 5311.007       233.8162 5173.000       399.1623 329.1830 7.256563 324.1659 12.60388 5.017059       14.54357 
1 1 1 2   4  14 o 612.0270 13.15047 18406.52       787.8038 18406.52       787.8038 0.000000       0.000000 612.0270 13.15047 ?        ?        ?              ?        
1 1 1 2   4  15 o 357.2433 7.853194 6254.669       274.6102 6254.669       274.6102 0.000000       0.000000 357.2433 7.853194 ?        ?        ?              ?        
1 1 1 2   4  16 o 455.3475 8.548797 10164.73       381.0256 10156.36       439.6212 10190.00       763.8749 455.0321 9.870300 454.4265 17.20432 0.6056519      19.83460 
1 1 1 2   4  17 o 674.4589 14.48247 22376.53       956.1022 22659.21       1181.419 21840.00       1627.632 677.5932 17.82815 662.4982 25.14516 15.09497       30.82405 
1 1 1 2   4  18 o 205.4118 4.933219 2066.334       99.18868 2062.641       120.7402 2074.000       173.9538 205.1085 6.020496 205.4760 8.668488 -0.3674316     10.55410 
1 1 1 2   4  19 o 185.8508 5.668109 1693.559       102.9914 1693.559       102.9914 0.000000       0.000000 185.8508 5.668109 ?        ?        ?              ?        
1 1 1 2   4  20 o 84.10112 4.695124 347.4841       38.49706 347.4841       38.49706 0.000000       0.000000 84.10112 4.695124 ?        ?        ?              ?        
1 1 1 2   4  21 o 130.4258 4.846803 834.4278       61.76880 850.0000       88.29202 819.5000       86.44578 131.4891 6.884000 129.1035 6.865367 2.385559       9.722280 
1 1 1 2   4  22 o 276.2219 5.442369 3739.022       147.1473 3827.077       172.4247 3503.000       282.2937 279.3932 6.304887 266.6306 10.83905 12.76266       12.53940 
1 1 1 2   4  23 o 220.7762 4.537915 2388.017       98.06520 2323.128       111.2572 2614.000       207.6254 217.7190 5.220660 230.4255 9.224061 -12.70653      10.59899 
1 1 1 2   4  24 o 133.1564 3.932763 869.3113       51.20235 864.8670       62.70977 878.2000       88.68523 132.7548 4.833978 133.6003 6.804094 -0.8454895     8.346439 
1 1 1 2   4  25 o 244.9293 5.705049 2942.363       136.7748 3004.947       169.8704 2827.000       230.6326 247.2839 7.025159 239.3670 9.864653 7.916840       12.11050 
1 1 1 2   4  26 o 261.8798 5.207364 3363.061       133.4830 3317.843       152.7692 3509.000       274.4511 260.0293 6.002157 266.4878 10.54239 -6.458527      12.13128 
1 1 1 2   4  27 o 187.4630 4.661237 1722.958       85.53090 1715.684       104.1770 1738.000       149.8159 186.8990 5.701209 187.7618 8.171194 -0.8628235     9.963543 
1 1 1 2   4  28 o 228.6620 5.401452 2565.589       120.8957 2571.861       147.9797 2553.000       209.6431 228.6990 6.617419 227.3064 9.442988 1.392548       11.53084 
1 1 1 2   4  29 o 240.8757 4.889578 2846.081       115.2844 2910.715       134.8960 2671.000       222.0173 243.5017 5.659664 232.3598 9.783459 11.14188       11.30256 
1 1 1 2   4  30 o 263.3297 6.088523 3406.489       156.9344 3558.809       197.5594 3146.000       258.3536 268.7857 7.516435 251.9198 10.50024 16.86588       12.91324 
1 1 1 2   4  31 o 186.1532 4.747840 1701.291       86.44067 1701.291       86.44067 0.000000       0.000000 186.1532 4.747840 ?        ?        ?              ?        
1 1 1 2   4  32 o 125.7233 3.486390 775.3408       42.86259 747.1574       48.69523 872.3000       90.32014 123.3671 4.038001 132.9265 6.966025 -9.559441      8.051767 
1 1 1 2   4  33 o 356.3546 7.977561 6269.214       278.2651 6269.214       278.2651 0.000000       0.000000 356.3546 7.977561 ?        ?        ?              ?        
1 1 1 2   4  34 o 52.20895 5.457817 135.4679       27.47983 135.4679       27.47983 0.000000       0.000000 52.20895 5.457817 ?        ?        ?              ?        
1 1 1 2   4  35 o 183.5246 4.094790 1653.483       73.55837 1652.311       84.92857 1657.000       147.1652 183.3040 4.737396 182.6848 8.251234 0.6192169      9.514504 
1 1 1 2   4  36 o 194.5731 4.901206 1863.831       93.27089 1848.421       113.4318 1896.000       163.8900 193.4838 5.996650 195.0590 8.604993 -1.575180      10.48836 
1 1 1 2   4  37 o 156.6416 4.344204 1207.724       66.54324 1218.034       81.43006 1187.000       115.4506 157.0909 5.303355 154.3665 7.664733 2.724350       9.320607 
1 1 1 2   4  38 o 261.5887 5.307570 3378.866       135.9005 3448.603       158.9102 3189.000       262.2077 263.8738 6.152467 250.5445 10.71664 13.32932       12.35716 
1 1 1 2   4  39 o 143.4773 3.699430 1013.298       51.91128 1041.333       60.50515 935.1000       101.0520 145.3152 4.258375 136.5701 7.589168 8.745041       8.702254 
1 1 1 2   4  40 o 149.7522 3.756020 1104.905       55.01289 1120.675       63.76566 1059.000       108.7952 150.6535 4.328643 145.0726 7.689034 5.580917       8.823740 
1 1 1 2   4  41 o 58.45844 4.402579 169.8252       25.00676 173.1391       28.40269 158.4000       52.73851 58.90780 4.972227 54.69318 10.22708 4.214619       11.37173 
1 1 1 2   4  42 f 33.51534 7.104916 58.54135       22.58375 48.53840       25.57315 93.98000       48.13476 30.40685 8.342070 41.60777 11.45673 -11.20092      14.17204 
1 1 1 2   4  43 f 80.37258 4.290643 320.6657       33.63255 315.5655       40.03372 332.9000       62.00427 79.47565 5.174319 80.54454 7.968986 -1.068886      9.501490 
1 1 1 2   4  44 o 46.47211 6.190013 110.1762       27.45764 61.33878       31.56135 262.2000       55.68456 33.86205 9.258354 71.21796 8.133693 -37.35592      12.32372 
1 1 1 2   4  45 o 71.43464 4.763514 255.0413       33.11722 290.0000       56.96447 237.1934       40.70244 74.90053 7.888149 68.40677 6.144146 6.493759       9.998671 
1 1 1 2   4  46 o 57.90894 5.442043 169.4499       30.48552 197.8000       53.85308 156.0808       36.98148 60.89630 9.331620 54.98320 7.032199 5.913101       11.68465 
1 1 1 2   4  47 o 14.67323 6.694534 -12.13938      21.32065 0.7257637      28.35654 -28.87105      32.33819 19.25533 8.295386 16.70955 7.835855 2.545784       11.41114 
1 1 1 2   4  48 o 46.15820 5.302449 108.7210       23.52238 115.8318       31.65487 99.95315       35.15036 46.93702 7.112588 42.84189 8.679913 4.095131       11.22184 
1 1 1 2   4  49 o 48.66167 5.517117 121.4839       25.81561 119.1202       31.21466 126.6000       45.92294 47.58210 6.903415 47.27164 10.22284 0.3104668      12.33546 
1 1 1 2   4  50 o 78.61006 3.697434 308.4640       28.37044 334.7313       39.91715 281.6508       40.32977 81.22305 5.045729 74.17715 5.595821 7.045898       7.534759 
1 1 1 2   4  51 o 25.60853 8.278638 34.97261       23.65449 28.22665       28.05274 51.57000       44.00207 24.33247 8.955315 30.92299 11.24190 -6.590521      14.37282 
1 1 1 2   4  52 o 24.09252 7.443218 31.04330       19.31861 24.74998       26.43876 38.25241       28.29711 23.18311 8.663520 26.75054 9.069909 -3.567432      12.54272 
1 1 1 2   4  53 o 70.41021 3.698236 248.4259       25.39868 249.9834       35.24988 246.7442       36.62806 69.85093 5.192745 69.23991 5.448309 0.6110153      7.526531 
1 1 1 2   4  54 o 54.45551 6.213509 155.9464       32.52762 0.000000       0.000000 155.9464       32.52762 ?        ?        54.45551 6.213509 ?              ?        
1 1 1 2   4  55 o 53.01050 4.245554 142.7333       21.84538 117.5314       30.21221 170.3458       31.62420 46.76271 6.799571 57.12040 5.733617 -10.35769      8.894298 
1 1 1 2   4  56 o 42.09528 5.116193 91.99574       20.64844 113.7265       29.63382 71.48891       28.78718 45.93497 6.795583 35.37809 8.432793 10.55689       10.83014 
1 1 1 2   4  57 o 43.95922 4.841563 99.76413       20.48795 92.27289       29.54223 106.7058       28.43798 40.72808 7.692281 44.45424 6.747181 -3.726151      10.23209 
1 1 1 2   4  58 o 29.82552 7.385252 49.77542       21.44574 48.38000       34.18756 50.68078       27.53759 28.91372 9.965034 29.58092 8.835806 -0.6671982     13.31816 
1 1 1 2   4  59 o 40.76348 5.597493 87.53461       21.74509 77.64072       31.16860 96.91690       30.35204 36.55037 8.814964 41.68901 7.722386 -5.138645      11.71917 
1 1 1 2   4  60 o 27.25314 11.29041 33.63000       49.25981 33.63000       49.25981 0.000000       0.000000 27.25314 11.29041 ?        ?        ?              ?        
1 1 1 2   4  61 f 24.11269 7.496833 32.37556       19.56253 53.32959       28.03790 12.49867       27.30775 30.06404 8.899913 20.22766 8.395448 9.836388       12.23487 
1 1 1 2   4  62 f 23.13674 7.523715 29.65965       19.52045 12.76073       27.06370 47.98455       28.18244 20.10870 8.352973 28.41913 9.021111 -8.310431      12.29441 
1 1 1 2   4  63 o 18.00667 7.179503 12.32280       19.03936 14.63466       26.60420 9.895704       27.25918 20.24931 8.334054 19.50898 8.260507 0.7403316      11.73424 
1 1 1 2   5  0  f 463.1510 8.671424 10521.25       393.1146 10550.55       557.3185 10492.23       554.5875 463.1239 12.30510 461.8464 12.27868 1.277557       17.38337 
1 1 1 2   5  1  o 547.3131 10.19753 14705.09       546.3074 14739.41       774.0679 14671.04       771.1312 546.9230 14.47200 545.6575 14.45055 1.265503       20.45134 
1 1 1 2   5  2  o 567.9523 10.57876 15840.06       588.1025 15350.00       1148.501 16014.22       684.6768 555.9315 21.14444 570.7392 12.25580 -14.80774      24.43956 
1 1 1 2   5  3  o 886.5712 16.45718 38794.88       1428.155 38120.00       2818.136 39028.10       1656.639 867.0667 33.26670 887.9573 19.06030 -20.89063      38.34016 
1 1 1 2   5  4  o 349.6445 6.639573 5992.010       227.2339 5958.995       319.9757 6025.602       322.7568 348.2966 9.394167 350.2352 9.423326 -1.938568      13.30599 
1 1 1 2   5  5  o 360.7966 6.838817 6381.958       241.5181 6267.113       337.2497 6502.866       346.0360 357.0992 9.657293 363.7475 9.727586 -6.648346      13.70727 
1 1 1 2   5  6  o 308.5232 6.853510 4667.803       206.9699 4827.215       259.3101 4388.000       343.5464 313.4719 8.458858 298.3272 11.78805 15.14474       14.50898 
1 1 1 2   5  7  o 240.7627 4.751440 2840.180       111.9749 2722.816       154.0275 2971.731       163.0720 235.5109 6.688383 246.0389 6.777717 -10.52802      9.522180 
1 1 1 2   5  8  o 231.4732 4.599456 2625.255       104.2109 2799.521       153.3414 2475.694       142.0576 238.8019 6.566410 224.5656 6.469460 14.23630       9.218006 
1 1 1 2   5  9  o 482.6632 9.050346 11451.02       427.5782 11666.50       613.0708 11246.92       596.6379 485.9358 12.90060 477.1512 12.78616 8.784637       18.16346 
1 1 1 2   5  10 o 285.4960 6.415030 3996.803       179.2689 3654.000       292.0135 4204.140       227.1011 272.2558 10.98023 292.5514 7.938024 -20.29565      13.54908 
1 1 1 2   5  11 o 410.1123 7.733399 8250.206       310.4413 8340.164       361.0325 7995.000       608.0982 412.1843 8.948467 402.0657 15.48042 10.11859       17.88067 
1 1 1 2   5  12 o 170.0034 3.645638 1415.024       60.66488 1356.123       67.96107 1646.000       134.5813 166.3649 4.176724 183.0819 7.525928 -16.71696      8.607242 
1 1 1 2   5  13 o 366.6579 8.031715 6590.032       288.2542 6590.032       288.2542 0.000000       0.000000 366.6579 8.031715 ?        ?        ?              ?        
1 1 1 2   5  14 o 101.1271 3.288481 501.1599       32.50807 501.1599       32.50807 0.000000       0.000000 101.1271 3.288481 ?        ?        ?              ?        
1 1 1 2   5  15 o 488.5804 9.142321 11705.01       437.2186 11737.07       505.6250 11610.00       870.4806 489.0939 10.56161 484.8592 18.37485 4.234680       21.19393 
1 1 1 2   5  16 o 207.4970 4.941046 2108.390       100.3545 2154.275       123.6897 2020.000       171.6714 209.6264 6.034396 202.7951 8.668365 6.831268       10.56194 
1 1 1 2   5  17 o 346.3081 7.656920 5878.074       259.5511 6028.873       323.1607 5604.000       435.6656 350.4644 9.428946 337.3965 13.21745 13.06796       16.23594 
1 1 1 2   5  18 o 310.6111 6.945254 4727.933       211.1599 4727.933       211.1599 0.000000       0.000000 310.6111 6.945254 ?        ?        ?              ?        
1 1 1 2   5  19 o 186.8800 4.637286 1710.319       84.82675 1627.528       100.5291 1915.000       158.0664 182.1858 5.644104 197.4445 8.196597 -15.25871      9.951890 
1 1 1 2   5  20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   5  21 o 342.7356 6.571963 5758.990       220.4756 5809.424       255.9647 5614.000       433.9995 344.1329 7.598845 337.2636 13.17193 6.869324       15.20665 
1 1 1 2   5  22 o 281.1449 5.526802 3873.916       152.0934 3971.726       178.5248 3615.000       290.4594 284.6028 6.408452 270.8058 10.98052 13.79700       12.71377 
1 1 1 2   5  23 o 178.6598 5.498778 1566.192       96.04656 1580.000       134.9102 1552.000       136.7696 179.2256 7.708235 177.6066 7.886944 1.619080       11.02818 
1 1 1 2   5  24 o 349.3813 6.705997 5990.745       229.3344 6161.589       269.8107 5546.000       435.3260 354.1579 7.783163 334.5438 13.32063 19.61411       15.42779 
1 1 1 2   5  25 f 176.6790 5.531564 1532.414       95.54408 1523.000       134.5120 1542.000       135.7357 175.8647 7.833712 176.9573 7.856034 -1.092636      11.09434 
1 1 1 2   5  26 o 215.9386 5.181365 2286.723       109.5168 2312.603       135.0417 2237.000       187.1867 216.9532 6.365984 212.9588 9.000226 3.994400       11.02406 
1 1 1 2   5  27 o 270.5245 5.359697 3590.288       141.9231 3640.979       165.2813 3448.000       276.9129 272.3173 6.200721 263.9475 10.74057 8.369781       12.40197 
1 1 1 2   5  28 o 292.2542 6.618330 4196.742       189.3282 4288.281       234.8955 4027.000       319.8644 295.0159 8.142140 284.9309 11.49244 10.08499       14.08441 
1 1 1 2   5  29 o 192.8672 4.792185 1824.570       90.46869 1880.261       112.3767 1722.000       152.5072 195.5918 5.876415 186.7601 8.363792 8.831726       10.22180 
1 1 1 2   5  30 o 154.7494 3.690349 1173.666       55.89884 1225.594       65.73183 1038.000       106.2464 158.0424 4.252954 145.0206 7.510350 13.02180       8.630931 
1 1 1 2   5  31 o 264.1891 6.105039 3430.411       157.8736 3477.041       194.7369 3341.000       269.6580 265.5897 7.498351 259.3983 10.64298 6.191376       13.01915 
1 1 1 2   5  32 o 263.1526 6.107816 3405.108       157.3258 3405.108       157.3258 0.000000       0.000000 263.1526 6.107816 ?        ?        ?              ?        
1 1 1 2   5  33 o 290.6548 6.650985 4160.653       189.2211 4160.653       189.2211 0.000000       0.000000 290.6548 6.650985 ?        ?        ?              ?        
1 1 1 2   5  34 o 233.3474 4.831806 2675.037       110.3618 2661.012       127.1049 2718.000       222.4646 232.5874 5.583031 233.6660 9.747971 -1.078613      11.23357 
1 1 1 2   5  35 o 122.2346 3.981086 734.2288       47.56881 744.9707       57.97593 712.1000       83.21209 123.0101 4.824404 119.8390 7.126025 3.171066       8.605528 
1 1 1 2   5  36 o 99.55907 3.912422 487.5482       38.05278 501.2098       46.11607 458.4000       67.36073 100.8380 4.685009 95.94676 7.225589 4.891258       8.611530 
1 1 1 2   5  37 o 164.6280 3.848603 1331.813       62.01734 1346.747       71.81313 1288.000       123.0042 165.3793 4.440273 160.6948 7.843788 4.684448       9.013381 
1 1 1 2   5  38 o 130.9840 3.563908 843.7932       45.65065 819.0969       51.90810 928.1000       95.90701 128.9458 4.117930 136.3685 7.210681 -7.422745      8.303691 
1 1 1 2   5  39 o 46.71735 5.108966 109.1341       22.98194 118.7145       26.14952 76.62000       48.17338 48.64996 5.592920 38.36561 11.73581 10.28436       13.00038 
1 1 1 2   5  40 f 105.7662 3.502717 551.0795       36.21253 548.3869       41.37219 559.9000       74.88046 105.3988 4.017560 105.4759 7.297850 -0.7705688E-01 8.330630 
1 1 1 2   5  41 o 49.68878 4.926233 123.5100       23.64450 137.6302       26.81342 74.14000       50.13738 52.39237 5.301382 37.61308 12.04274 14.77929       13.15798 
1 1 1 2   5  42 o 71.19012 3.928512 250.9747       27.26886 255.8579       30.94356 234.0000       57.69241 71.76922 4.426333 67.08643 9.013588 4.682785       10.04177 
1 1 1 2   5  43 o 93.31746 3.581765 430.2791       32.65571 428.9951       37.09567 434.7000       68.83610 93.04583 4.082994 92.24156 7.694016 0.8042679      8.710266 
1 1 1 2   5  44 o 76.99286 4.397885 294.8875       33.00580 282.8565       38.76430 326.6000       62.93550 75.12418 5.305775 79.51159 8.204133 -4.387413      9.770315 
1 1 1 2   5  45 o 93.71829 4.182550 436.3989       38.27156 439.9763       45.78320 428.1000       69.73226 93.80080 5.004588 91.09997 7.898000 2.700829       9.350097 
1 1 1 2   5  46 o 51.09611 5.718620 132.7728       28.11126 96.86487       32.33558 243.9000       56.88471 42.74933 8.022183 67.99237 8.749921 -25.24304      11.87083 
1 1 1 2   5  47 o 65.03735 4.945789 213.0539       31.24899 195.2000       53.78378 222.1523       38.39435 60.06175 9.461123 65.98243 6.010654 -5.920677      11.20896 
1 1 1 2   5  48 o 98.78431 4.087066 487.2656       39.43364 513.8851       48.46150 435.1000       67.84045 101.0069 4.916389 91.07878 7.681190 9.928078       9.119844 
1 1 1 2   5  49 o 31.58730 6.997022 53.52184       21.06344 59.74029       27.89972 45.27947       32.12067 32.89103 8.578207 29.03027 9.661737 3.860760       12.92033 
1 1 1 2   5  50 o 23.15803 8.102157 26.58388       22.64090 23.99638       26.00845 34.68000       46.00580 23.03859 8.596083 28.24765 11.19346 -5.209057      14.11333 
1 1 1 2   5  51 o 89.43028 3.473358 398.5111       30.34687 374.5445       41.36598 426.4423       44.65657 85.91744 4.939582 91.65607 4.996471 -5.738632      7.025966 
1 1 1 2   5  52 o 58.15990 4.139922 170.5275       23.41388 155.5827       32.47145 186.7131       33.79248 54.57053 6.188188 60.04070 5.823033 -5.470169      8.497140 
1 1 1 2   5  53 o 49.24428 5.144459 124.7824       24.43178 146.4000       39.25447 111.1132       31.21460 51.71696 8.013474 45.36778 7.274961 6.349178       10.82316 
1 1 1 2   5  54 o 51.18893 4.323371 133.0896       21.45997 115.2385       29.12785 154.2831       31.73780 46.51335 6.581333 54.21803 6.085260 -7.704678      8.963500 
1 1 1 2   5  55 o 23.30172 7.444988 29.26684       19.16953 43.00504       26.43547 14.03160       27.83854 27.61286 8.733580 20.89538 8.554299 6.717482       12.22503 
1 1 1 2   5  56 o 59.66497 4.014994 180.1015       23.31174 184.7299       33.05944 175.5242       32.87688 59.43408 5.754599 57.83636 5.889500 1.597713       8.234174 
1 1 1 2   5  57 o 22.65180 7.428791 27.49938       19.01155 27.88364       27.85014 27.16407       26.01622 23.73947 8.887620 23.32466 8.617163 0.4148064      12.37923 
1 1 1 2   5  58 o 49.33987 4.661871 125.0700       22.24766 108.8996       32.22749 139.7921       30.75034 44.26589 7.718396 51.25792 6.258537 -6.992023      9.936948 
1 1 1 2   5  59 o 17.56719 7.533918 3.609113       23.18996 9.545000       32.34179 -2.672000      33.26898 20.99399 8.947529 19.42724 8.654779 1.566751       12.44843 
1 1 1 2   5  60 o 21.23331 7.748064 22.25161       20.92924 53.60000       33.05450 1.273440       27.04001 30.01015 9.792639 18.26449 7.982205 11.74567       12.63374 
1 1 1 2   5  61 o 32.67582 10.03981 65.69767       35.20658 71.83000       50.41402 59.86000       49.18787 33.19621 12.03821 31.10761 11.77546 2.088606       16.83984 
1 1 1 2   5  62 f 22.95159 7.423777 29.19600       19.01993 26.80227       26.59212 31.70321       27.21517 22.96309 8.665826 24.19150 8.834104 -1.228401      12.37489 
1 1 1 2   6  0  o 760.4373 14.11942 28494.82       1050.960 27860.00       2067.829 28715.91       1220.325 743.7188 28.45783 762.4983 16.35048 -18.77954      32.82052 
1 1 1 2   6  1  o 452.2329 8.481700 10034.27       375.4493 9608.000       727.5106 10189.01       438.3304 440.5790 16.90112 455.5114 9.830964 -14.93243      19.55238 
1 1 1 2   6  2  o 421.6980 7.930932 8722.912       327.3648 8955.000       666.3487 8649.075       375.8490 425.4985 16.02781 419.7529 9.147735 5.745667       18.45459 
1 1 1 2   6  3  o 438.0872 8.224315 9417.104       352.6684 9674.269       508.3098 9178.419       489.7071 443.2873 11.72515 431.7975 11.59694 11.48981       16.49146 
1 1 1 2   6  4  o 292.7626 5.643638 4200.306       161.7264 4391.413       235.5995 4030.010       222.4021 299.0364 8.056378 286.4724 7.939056 12.56406       11.31078 
1 1 1 2   6  5  f 553.2994 10.33432 15057.29       559.6912 15367.52       802.5127 14763.49       780.9727 557.3671 14.72261 546.3374 14.61703 11.02966       20.74639 
1 1 1 2   6  6  o 216.0809 4.338125 2287.342       91.75390 2226.480       127.5867 2352.535       132.0475 212.9963 6.126020 218.9436 6.167720 -5.947281      8.693037 
1 1 1 2   6  7  o 288.3221 5.572031 4075.399       157.2525 4017.314       220.1355 4135.924       224.7124 285.9110 7.873478 290.0969 7.921079 -4.185883      11.16849 
1 1 1 2   6  8  o 121.5746 2.921994 723.6987       34.77190 685.7046       47.68061 766.8593       50.81909 118.2420 4.126006 125.0496 4.157598 -6.807617      5.857435 
1 1 1 2   6  9  o 184.1874 3.836676 1661.489       69.17056 1629.989       96.50984 1694.763       99.18904 182.2903 5.414814 185.8768 5.457614 -3.586533      7.688027 
1 1 1 2   6  10 o 321.9426 6.168147 5080.164       194.3745 5124.263       276.4474 5037.046       273.3529 322.9768 8.752567 320.2176 8.729262 2.759247       12.36153 
1 1 1 2   6  11 o 164.9963 3.562293 1332.898       57.53207 1356.967       81.73386 1309.261       80.99641 166.3710 5.024770 163.4151 5.069826 2.955933       7.138028 
1 1 1 2   6  12 o 312.8377 6.936126 4795.708       212.3940 4795.708       212.3940 0.000000       0.000000 312.8377 6.936126 ?        ?        ?              ?        
1 1 1 2   6  13 o 489.3426 9.155010 11741.81       438.5086 11880.63       510.3174 11350.00       857.3067 492.0670 10.59522 479.3940 18.30358 12.67300       21.14898 
1 1 1 2   6  14 o 232.9257 4.673924 2656.594       106.5627 2559.816       119.5772 3030.000       234.8827 228.6263 5.343379 248.3687 9.680113 -19.74236      11.05696 
1 1 1 2   6  15 o 244.4959 5.612489 2927.779       134.3177 3014.563       166.4910 2766.000       227.3164 247.9531 6.866467 237.2647 9.809096 10.68839       11.97359 
1 1 1 2   6  16 o 170.9298 4.316343 1431.481       72.15932 1473.292       88.22701 1347.000       125.4104 173.3675 5.204989 165.5973 7.758600 7.770203       9.342793 
1 1 1 2   6  17 o 381.1115 7.233524 7118.179       269.8411 7172.330       312.8902 6961.000       533.0696 382.4716 8.357697 375.8347 14.51771 6.636841       16.75157 
1 1 1 2   6  18 o 421.9080 7.960838 8727.367       328.7628 8703.938       378.7301 8799.000       662.2297 421.2173 9.185806 422.1901 16.05412 -0.9727173     18.49632 
1 1 1 2   6  19 o 157.9497 5.143505 1223.307       79.41537 1223.307       79.41537 0.000000       0.000000 157.9497 5.143505 ?        ?        ?              ?        
1 1 1 2   6  20 o 190.2420 4.063271 1772.371       75.66385 1707.364       85.16238 2016.000       164.8654 186.7025 4.660059 202.5278 8.334270 -15.82532      9.548623 
1 1 1 2   6  21 o 364.3494 6.951400 6510.453       247.9115 6518.636       286.4021 6486.000       495.1051 364.4525 8.028399 362.2613 13.98899 2.191254       16.12907 
1 1 1 2   6  22 o 256.7520 5.909253 3231.861       148.5089 3219.524       181.3237 3257.000       258.8365 256.0492 7.242049 257.0936 10.30645 -1.044403      12.59643 
1 1 1 2   6  23 o 358.1762 6.852375 6295.549       240.2393 6370.916       279.6065 6083.000       469.5554 360.1501 7.931541 350.4116 13.71645 9.738464       15.84457 
1 1 1 2   6  24 o 146.3177 3.488195 1048.606       49.95786 1045.637       57.31266 1058.000       101.9363 146.0368 4.013228 146.6173 7.124252 -0.5804749     8.176855 
1 1 1 2   6  25 o 202.6797 4.918461 2013.915       97.57658 2000.543       118.5520 2042.000       171.8080 201.8320 6.007532 203.5439 8.643081 -1.711899      10.52584 
1 1 1 2   6  26 o 326.8271 7.310358 5249.707       233.8638 5072.693       279.6979 5661.000       426.3452 320.8214 8.915405 337.6523 12.92373 -16.83093      15.70055 
1 1 1 2   6  27 o 127.3379 3.887113 795.3491       48.39297 765.3284       57.92786 864.7000       88.04462 124.8399 4.749199 132.4845 6.812274 -7.644615      8.304335 
1 1 1 2   6  28 o 206.6631 4.341362 2093.931       87.82038 2154.086       102.8469 1932.000       168.7407 209.5495 5.014160 197.7961 8.737131 11.75342       10.07369 
1 1 1 2   6  29 o 146.6307 4.115053 1054.859       59.00336 1084.085       72.73179 998.6000       100.9113 148.5626 5.008759 142.2875 7.269567 6.275085       8.828039 
1 1 1 2   6  30 o 256.9698 5.959601 3244.021       149.9014 3375.981       187.8977 3013.000       248.6148 261.7879 7.339974 246.5122 10.32631 15.27574       12.66917 
1 1 1 2   6  31 o 103.8437 3.851087 529.4043       39.07658 529.4043       39.07658 0.000000       0.000000 103.8437 3.851087 ?        ?        ?              ?        
1 1 1 2   6  32 o 131.7080 4.035770 851.5623       51.96755 851.5623       51.96755 0.000000       0.000000 131.7080 4.035770 ?        ?        ?              ?        
1 1 1 2   6  33 o 184.5914 4.730332 1674.256       85.39872 1674.256       85.39872 0.000000       0.000000 184.5914 4.730332 ?        ?        ?              ?        
1 1 1 2   6  34 f 194.1725 4.865728 1853.803       92.40585 1850.376       112.2699 1861.000       162.7032 193.7767 5.926061 193.6018 8.607311 0.1749115      10.45007 
1 1 1 2   6  35 o 185.5620 4.720689 1693.847       85.67378 1715.297       104.9499 1651.000       148.3309 186.5034 5.755847 182.2158 8.338581 4.287613       10.13221 
1 1 1 2   6  36 o 181.6495 4.060965 1621.247       72.20539 1620.028       83.10305 1625.000       145.8554 181.4044 4.684102 180.5686 8.274275 0.8358612      9.508124 
1 1 1 2   6  37 o 110.9237 3.425967 604.7788       37.15290 612.2997       42.75771 581.6000       75.06281 111.5377 3.922501 107.9982 7.140789 3.539482       8.147201 
1 1 1 2   6  38 o 96.68335 3.459101 459.9384       32.68291 459.5843       37.33272 461.1000       67.62309 96.56666 3.958017 95.94645 7.254197 0.6202087      8.263733 
1 1 1 2   6  39 o 188.4276 4.191772 1749.867       77.31225 1741.497       88.83459 1776.000       156.9690 187.6983 4.839250 187.5815 8.571698 0.1167297      9.843390 
1 1 1 2   6  40 o 31.56186 7.307959 51.88211       22.13148 70.34367       25.01306 -14.68000      47.49482 36.87756 7.187836 23.15952 10.32770 13.71804       12.58278 
1 1 1 2   6  41 o 39.14630 6.033870 78.11906       22.37839 78.51517       25.12717 76.60000       49.20731 39.04528 6.822806 38.03828 11.89977 1.007004       13.71697 
1 1 1 2   6  42 o 69.78223 3.978024 241.2961       27.05924 235.0419       30.24262 266.4000       60.59069 68.74574 4.519422 71.69576 8.819517 -2.950020      9.910048 
1 1 1 2   6  43 o 59.64429 4.361666 177.1610       25.28801 171.8139       28.43299 197.4000       55.31667 58.57193 5.007358 61.12154 9.558974 -2.549606      10.79109 
1 1 1 2   6  44 o 81.56388 3.723258 329.4047       29.64697 314.5441       33.34351 385.5000       64.78226 79.54520 4.298406 86.66779 7.717085 -7.122581      8.833442 
1 1 1 2   6  45 o 64.20726 4.133616 205.2402       25.84086 226.2470       29.20535 129.5000       55.45565 67.33547 4.456175 48.01898 11.86754 19.31649       12.67659 
1 1 1 2   6  46 o 57.40962 5.072250 166.1074       28.21016 156.6054       32.41113 195.8000       57.29439 55.38344 6.078489 60.02439 10.11058 -4.640953      11.79711 
1 1 1 2   6  47 o 29.86333 7.914318 48.02181       23.50331 44.46439       28.08293 56.34000       42.94271 28.86443 8.983566 32.51266 11.16979 -3.648232      14.33418 
1 1 1 2   6  48 o 75.64681 4.549378 287.6859       33.53029 257.5000       55.78740 304.7574       41.95371 69.40748 8.381006 77.35937 5.577983 -7.951889      10.06753 
1 1 1 2   6  49 o 66.95029 5.939478 230.5166       38.51958 204.9000       50.54634 266.0000       59.48961 61.49059 8.635636 69.98036 8.884777 -8.489777      12.39006 
1 1 1 2   6  50 o 22.29108 7.587428 24.98711       19.80484 25.06618       26.00044 24.87784       30.56697 23.28909 8.612655 24.04688 9.238829 -0.7577934     12.63067 
1 1 1 2   6  51 o 70.08776 3.739798 245.7628       25.56356 224.1720       34.80439 271.0554       37.67010 66.13895 5.423741 72.82255 5.321486 -6.683594      7.598367 
1 1 1 2   6  52 o 66.13989 4.347887 221.0343       27.99192 211.7000       44.63800 227.0838       35.93550 62.91606 7.388982 66.37899 5.582466 -3.462929      9.260722 
1 1 1 2   6  53 o 44.98725 4.772739 103.6348       20.69638 124.6873       28.96119 81.66258       29.58704 48.68509 6.219161 38.30827 8.141665 10.37682       10.24523 
1 1 1 2   6  54 o 62.46822 3.905778 196.6343       23.76262 179.3775       32.98634 215.2502       34.26072 58.63539 5.824266 64.49632 5.478744 -5.860931      7.996169 
1 1 1 2   6  55 o 54.40854 4.244220 150.3946       22.42456 158.9364       31.44247 141.5522       31.99087 55.01094 5.933034 51.55265 6.482703 3.458282       8.787851 
1 1 1 2   6  56 o 28.48030 7.101290 44.89976       19.72744 18.41652       27.01917 75.13628       28.87036 21.56699 8.567866 36.37439 8.293403 -14.80739      11.92430 
1 1 1 2   6  57 o 49.43970 4.452959 124.9960       21.31849 130.9768       30.13919 119.0075       30.15863 49.55983 6.359285 46.97297 6.753166 2.586857       9.276085 
1 1 1 2   6  58 o 56.53955 4.667039 163.9685       25.59873 167.3012       32.36488 158.4000       41.83538 56.32214 5.961050 53.06885 8.327593 3.253296       10.24124 
1 1 1 2   6  59 o 48.82289 4.731504 122.7873       22.32836 143.7320       31.63675 102.0000       31.51772 51.86478 6.365095 42.67994 7.832968 9.184837       10.09306 
1 1 1 2   6  60 o 16.66834 7.316848 -0.7860588     22.94392 -16.20506      26.30822 48.20000       46.89208 15.57175 7.223541 29.28003 11.39056 -13.70828      13.48794 
1 1 1 2   6  61 o 37.95044 7.063461 79.82581       25.27325 100.0000       35.88477 59.97000       35.60048 41.05571 9.162195 31.23826 10.16067 9.817457       13.68156 
1 1 1 2   6  62 o 16.94030 7.422486 0.6338160      23.51327 -16.54000      49.82489 5.554382       26.66984 21.24837 9.885496 18.67378 8.044869 2.574594       12.74531 
1 1 1 2   7  0  o 498.3740 9.322793 12202.73       454.7866 11870.00       891.4402 12319.80       528.7766 488.3745 18.68248 500.4319 10.79496 -12.05737      21.57699 
1 1 1 2   7  1  o 268.4366 5.229818 3530.968       137.4151 3296.000       262.4253 3619.734       161.2962 258.6786 10.38539 271.7322 6.064246 -13.05368      12.02628 
1 1 1 2   7  2  o 506.9642 9.486029 12631.63       470.7257 13123.81       684.4687 12189.94       648.4077 515.4381 13.57842 496.8265 13.34537 18.61163       19.03871 
1 1 1 2   7  3  o 159.0172 3.428677 1238.288       53.36752 1268.367       76.42711 1209.665       74.55388 160.8158 4.860839 157.0472 4.855746 3.768646       6.870665 
1 1 1 2   7  4  o 253.0522 4.963691 3138.014       122.9479 3237.264       177.4074 3046.294       170.5447 256.7572 7.065713 249.0706 7.002299 7.686630       9.947687 
1 1 1 2   7  5  o 448.4190 8.424160 9879.083       369.7574 9556.576       510.9002 10233.82       535.8212 440.0495 11.87204 455.3346 12.03272 -15.28503      16.90360 
1 1 1 2   7  6  o 218.3262 4.383390 2335.281       93.67465 2230.995       128.6544 2452.948       136.6596 213.1982 6.171520 223.5522 6.251464 -10.35399      8.784558 
1 1 1 2   7  7  o 385.3709 7.294207 7288.327       275.1461 6849.003       372.3842 7816.547       408.3253 372.9478 10.21047 398.3747 10.48059 -25.42694      14.63204 
1 1 1 2   7  8  o 320.4130 6.144969 5033.171       192.7241 4958.542       269.0674 5111.796       276.1777 317.6432 8.662056 322.5035 8.756892 -4.860352      12.31724 
1 1 1 2   7  9  o 468.3264 10.15351 10776.30       465.4476 10239.19       548.9521 12150.00       877.9013 455.9251 12.31211 494.8462 18.15541 -38.92111      21.93643 
1 1 1 2   7  10 o 112.0953 3.226094 615.6738       35.36051 610.2499       43.74412 625.9000       60.06504 111.5647 4.012309 112.9041 5.451185 -1.339394      6.768607 
1 1 1 2   7  11 o 374.3858 8.188016 6871.845       300.0573 6803.865       365.2325 7013.000       526.2924 372.2325 10.03333 377.2749 14.27734 -5.042358      17.45022 
1 1 1 2   7  12 o 418.4747 7.879896 8583.041       322.7721 8657.020       374.6448 8370.000       635.7697 420.1725 9.109319 412.0567 15.79215 8.115753       18.23106 
1 1 1 2   7  13 o 350.3832 6.683671 6014.514       229.2263 5927.506       261.7307 6301.000       474.9270 347.7830 7.688472 357.8127 13.58484 -10.02963      15.60962 
1 1 1 2   7  14 o 536.0744 11.56054 14108.11       606.6098 14423.89       754.3065 13530.00       1020.601 541.4233 14.24565 523.0066 19.97293 18.41669       24.53276 
1 1 1 2   7  15 o 214.4572 5.043193 2252.289       105.8650 2230.810       127.4870 2300.000       190.0049 213.3141 6.112064 216.3865 8.990326 -3.072342      10.87121 
1 1 1 2   7  16 o 262.0338 6.009927 3363.484       154.1462 3239.596       183.5450 3660.000       283.9556 257.0033 7.303625 272.8662 10.65196 -15.86298      12.91539 
1 1 1 2   7  17 o 455.4508 12.17113 10200.38       542.1124 9801.000       744.9412 10650.00       790.4023 445.4063 17.11862 464.2464 17.42468 -18.84012      24.42676 
1 1 1 2   7  18 o 371.5799 7.081088 6767.570       257.5482 6458.044       287.0597 8045.000       583.1666 362.9008 8.081244 403.8543 14.77728 -40.95355      16.84264 
1 1 1 2   7  19 o 82.44348 4.305340 333.7704       34.62282 333.7704       34.62282 0.000000       0.000000 82.44348 4.305340 ?        ?        ?              ?        
1 1 1 2   7  20 o 435.6787 8.222371 9315.138       350.6466 9061.631       396.7362 10220.00       749.5458 429.5247 9.436426 454.0653 16.89396 -24.54068      19.35077 
1 1 1 2   7  21 o 291.2016 5.690195 4156.351       162.1911 4074.333       184.7515 4432.000       338.6982 288.2444 6.548185 299.7848 11.56411 -11.54044      13.28937 
1 1 1 2   7  22 o 102.6584 4.364035 517.2352       43.75192 448.4000       55.89810 626.1000       70.29682 95.43793 6.014283 112.8027 6.392801 -17.36479      8.777215 
1 1 1 2   7  23 o 310.5703 6.027836 4731.070       183.2431 4892.750       216.1502 4318.000       345.4921 315.7114 6.994540 295.5054 11.96922 20.20596       13.86311 
1 1 1 2   7  24 o 179.1374 4.530978 1573.724       79.38451 1566.891       96.53049 1588.000       139.5300 178.6596 5.526555 179.5718 7.957988 -0.9121704     9.688776 
1 1 1 2   7  25 o 184.5643 3.988056 1669.098       72.04690 1650.140       82.34389 1731.000       148.7924 183.4785 4.585006 187.4354 8.129372 -3.956848      9.333219 
1 1 1 2   7  26 o 158.5410 3.652020 1231.505       56.67363 1243.535       65.34749 1195.000       113.8377 159.2305 4.196383 155.7224 7.490388 3.508041       8.585775 
1 1 1 2   7  27 o 165.8783 3.757901 1348.354       61.01564 1370.935       70.63925 1282.000       121.0876 167.1721 4.320562 161.2404 7.694397 5.931732       8.824455 
1 1 1 2   7  28 o 185.7265 4.697147 1692.832       85.32291 1765.951       106.6767 1563.000       142.1501 189.5690 5.755718 177.9544 8.182695 11.61464       10.00424 
1 1 1 2   7  29 o 286.6902 6.548430 4040.138       183.7622 4312.471       234.6263 3608.000       295.5546 295.7423 8.112737 269.5653 11.22585 26.17703       13.85049 
1 1 1 2   7  30 o 164.5543 5.356693 1330.835       86.16545 1330.835       86.16545 0.000000       0.000000 164.5543 5.356693 ?        ?        ?              ?        
1 1 1 2   7  31 o 126.2191 4.923435 783.2138       60.71080 783.2138       60.71080 0.000000       0.000000 126.2191 4.923435 ?        ?        ?              ?        
1 1 1 2   7  32 o 265.5798 6.152524 3469.586       159.9391 3555.980       198.5668 3310.000       269.8756 268.4134 7.565360 257.8604 10.71569 10.55298       13.11719 
1 1 1 2   7  33 o 201.3204 4.965209 1991.166       97.84341 1985.533       118.8704 2003.000       172.2954 200.7596 6.056027 200.9212 8.781971 -0.1615295     10.66764 
1 1 1 2   7  34 o 155.3761 4.283457 1186.309       65.08340 1181.940       78.39132 1196.000       116.7604 154.9461 5.175963 155.3153 7.704294 -0.3691864     9.281527 
1 1 1 2   7  35 o 118.5075 3.434531 689.6425       39.79798 688.2147       45.49098 694.3000       82.16170 118.3230 3.933272 118.2571 7.131134 0.6587982E-01  8.143936 
1 1 1 2   7  36 o 70.94060 3.764666 247.8710       26.04772 241.4347       29.39524 271.4000       56.20337 69.94080 4.314790 73.47776 7.940467 -3.536964      9.037059 
1 1 1 2   7  37 o 129.0630 3.499972 818.8580       44.17447 799.9616       50.20019 883.7000       92.99174 127.4721 4.028373 133.1566 7.161038 -5.684547      8.216341 
1 1 1 2   7  38 o 128.1515 3.517246 807.9229       44.07799 795.0319       50.28275 850.7000       91.59731 127.0175 4.049530 130.4446 7.201766 -3.427116      8.262211 
1 1 1 2   7  39 o 129.2860 3.544752 822.9195       44.81605 799.5324       50.83561 904.5000       94.94523 127.3105 4.084698 134.3074 7.249022 -6.996880      8.320642 
1 1 1 2   7  40 o 88.62269 3.588192 387.4177       31.06189 403.1624       35.73040 338.7000       62.85118 90.31210 4.052222 81.58406 7.972107 8.728035       8.942875 
1 1 1 2   7  41 o 156.5694 3.809077 1209.271       58.37580 1229.235       67.49502 1150.000       116.2956 157.5981 4.379612 150.5407 7.920154 7.057465       9.050406 
1 1 1 2   7  42 o 122.7204 3.542799 743.3193       42.51233 721.2534       47.85620 825.9000       92.57984 120.7261 4.055531 127.5697 7.446548 -6.843582      8.479293 
1 1 1 2   7  43 o 141.3819 3.682291 987.7987       50.91531 979.1662       57.95454 1017.000       106.5908 140.5516 4.217323 141.1637 7.743852 -0.6120758     8.817769 
1 1 1 2   7  44 o 53.28654 4.635740 142.1301       23.93885 123.5936       26.52880 223.4000       55.54805 49.40842 5.583114 65.21341 8.936970 -15.80499      10.53758 
1 1 1 2   7  45 o 79.91539 4.613417 318.8238       35.93432 306.6828       42.65629 348.5000       66.68974 78.00264 5.624627 81.74300 8.456930 -3.740364      10.15658 
1 1 1 2   7  46 o 78.56985 4.144288 307.6438       31.75949 307.6438       31.75949 0.000000       0.000000 78.56985 4.144288 ?        ?        ?              ?        
1 1 1 2   7  47 f 45.36903 7.293433 108.4752       31.29150 95.12000       38.18024 135.8000       54.61237 41.43018 9.602665 48.54620 11.64307 -7.116020      15.09213 
1 1 1 2   7  48 o 79.75188 5.220437 322.5614       40.52845 323.7000       52.00319 320.8000       64.68048 78.95177 6.795225 77.21072 8.710183 1.741051       11.04728 
1 1 1 2   7  49 o 19.30886 7.310999 15.18412       18.96355 8.901481       24.41001 24.74818       30.11744 19.34611 7.974765 24.00150 9.183434 -4.655386      12.16274 
1 1 1 2   7  50 o 39.32102 7.080668 82.74561       26.25031 41.18000       44.18958 105.4119       32.63192 29.07513 11.12408 44.10503 7.846312 -15.02991      13.61285 
1 1 1 2   7  51 o 35.49261 6.098115 66.42481       20.42234 65.87879       28.23597 67.02378       29.57354 34.36597 8.453273 34.55024 8.739856 -0.1842690     12.15907 
1 1 1 2   7  52 o 56.33530 4.141413 160.1441       22.67720 137.0695       31.12309 186.2586       33.10984 51.05877 6.365242 59.99818 5.706468 -8.939411      8.548689 
1 1 1 2   7  53 o 75.82991 3.569844 287.7245       26.42257 267.5424       36.38500 310.2429       38.43341 72.24762 5.179451 77.89652 5.068145 -5.648903      7.246572 
1 1 1 2   7  54 o 21.85694 7.287167 24.95509       18.27065 26.81622       24.44142 22.59789       27.50650 23.15383 8.384064 22.63317 8.746104 0.5206528      12.11556 
1 1 1 2   7  55 f 28.49826 6.814844 44.64468       18.75279 53.47063       25.35565 33.98756       27.86210 30.63146 8.266500 25.25801 8.974769 5.373453       12.20170 
1 1 1 2   7  56 o 38.51106 5.461599 77.79252       20.01106 79.78381       26.99543 75.36373       29.81382 37.94049 7.534867 36.28049 8.538395 1.659996       11.38764 
1 1 1 2   7  57 o 40.44260 5.947868 86.82468       22.84274 89.24437       27.81305 81.81000       40.03965 40.24319 7.330736 36.45539 10.59321 3.787807       12.88238 
1 1 1 2   7  58 o 31.55906 6.615951 54.46550       19.78286 56.08586       27.44104 52.71202       28.54605 31.08684 8.684900 30.06292 9.000001 1.023922       12.50710 
1 1 1 2   7  59 o 37.77422 7.114949 78.73035       25.34226 99.71680       29.22470 15.11000       50.88367 42.50964 7.285572 25.09514 10.95901 17.41450       13.15977 
1 1 1 2   7  60 o 36.98457 5.730296 72.72994       20.07402 83.20462       28.34171 62.18513       28.43644 38.40761 7.805243 32.58841 8.736760 5.819202       11.71549 
1 1 1 2   7  61 o 43.83966 5.016430 100.3160       21.13909 106.9534       29.91781 93.69865       29.87260 43.92104 7.208952 40.66580 7.788268 3.255241       10.61255 
1 1 1 2   7  62 o 24.83079 8.690238 34.87569       26.04820 51.51000       31.14243 -3.864000      47.52567 29.07393 9.506337 21.95315 10.00790 7.120779       13.80320 
1 1 1 2   8  0  o 481.2162 9.024889 11383.55       425.0973 10820.00       819.2654 11591.17       497.2773 465.7722 18.00377 485.2145 10.47029 -19.44232      20.82697 
1 1 1 2   8  1  o 376.2370 8.234791 6953.570       303.2636 6985.000       526.8377 6937.995       370.8693 375.4067 14.36384 375.3314 10.10404 0.7531738E-01  17.56165 
1 1 1 2   8  2  o 236.7291 4.693681 2746.061       108.7605 2755.987       154.0745 2736.203       153.5481 236.9181 6.650529 236.0654 6.651797 0.8526917      9.406165 
1 1 1 2   8  3  o 134.7205 3.100570 888.7336       40.88663 905.6880       58.20431 872.2169       57.44797 135.8935 4.381455 133.3544 4.407152 2.539032       6.214510 
1 1 1 2   8  4  o 239.8888 4.744779 2819.797       111.4120 2841.568       158.2814 2798.418       156.8492 240.5738 6.728248 238.7399 6.718670 1.833923       9.508410 
1 1 1 2   8  5  o 154.6493 3.384423 1171.192       51.23171 1208.220       73.46708 1136.140       71.47897 156.9560 4.787586 152.1966 4.804093 4.759430       6.782351 
1 1 1 2   8  6  o 433.3043 8.151356 9217.409       345.7236 9677.688       505.9511 8814.259       473.5134 443.1199 11.67507 422.9342 11.44861 20.18567       16.35170 
1 1 1 2   8  7  o 558.7037 10.43033 15345.42       570.4080 16170.76       836.9250 14629.46       779.4913 571.9959 14.96099 544.1456 14.64823 27.85028       20.93805 
1 1 1 2   8  8  o 392.8341 8.581275 7572.014       329.9645 6635.000       520.5347 8201.449       426.6310 366.5654 14.53630 408.4099 10.68127 -41.84451      18.03867 
1 1 1 2   8  9  o 353.5750 7.759548 6129.252       268.5494 5934.173       321.7765 6577.000       487.4905 347.6251 9.465450 365.3346 13.65634 -17.70944      16.61597 
1 1 1 2   8  10 o 664.3329 14.30264 21711.81       930.0538 20305.57       1081.666 25700.00       1821.590 641.4828 17.24233 718.0928 25.95847 -76.61005      31.16312 
1 1 1 2   8  11 o 484.6845 9.069706 11519.13       430.2873 11561.62       609.7653 11476.99       607.2786 484.9448 12.85723 483.1662 12.85201 1.778595       18.17918 
1 1 1 2   8  12 o 440.3936 8.276002 9506.736       356.7531 9549.733       505.7151 9464.143       503.3434 440.8896 11.72886 438.9084 11.72664 1.981293       16.58554 
1 1 1 2   8  13 o 289.4899 6.476699 4105.492       183.5242 3935.647       217.3032 4528.000       342.7339 283.2661 7.844833 303.4814 11.55882 -20.21524      13.96953 
1 1 1 2   8  14 o 362.0569 7.944340 6425.254       281.5405 6473.540       345.6094 6330.000       485.4192 363.1473 9.731688 358.5434 13.85758 4.603912       16.93335 
1 1 1 2   8  15 o 197.1312 5.820976 1905.177       112.1971 1905.177       112.1971 0.000000       0.000000 197.1312 5.820976 ?        ?        ?              ?        
1 1 1 2   8  16 o 273.4087 7.700314 3667.209       205.8706 3437.000       278.3988 3945.000       305.8190 264.3728 10.78093 283.2346 11.05214 -18.86179      15.43950 
1 1 1 2   8  17 o 375.8662 7.138817 6924.507       262.6430 6872.512       301.3070 7089.000       535.9216 374.3615 8.222650 379.1594 14.46674 -4.797852      16.64027 
1 1 1 2   8  18 o 315.8642 6.092104 4888.890       188.3536 4963.475       219.2805 4679.000       367.8497 318.1989 7.040363 308.2002 12.21779 9.998779       14.10111 
1 1 1 2   8  19 o 594.7156 11.09997 17392.21       646.1561 17430.19       747.5417 17280.00       1284.992 594.8896 12.83787 588.1544 22.36116 6.735168       25.78435 
1 1 1 2   8  20 o 166.6679 3.708254 1360.328       60.49615 1315.913       68.08105 1527.000       131.8855 163.8541 4.248437 176.2437 7.663316 -12.38956      8.762171 
1 1 1 2   8  21 o 304.7315 5.924062 4552.811       176.7027 4752.895       209.5869 4061.000       328.5921 311.2597 6.879155 286.8282 11.72860 24.43155       13.59716 
1 1 1 2   8  22 o 412.0693 7.800248 8339.573       314.6190 8345.756       363.2319 8321.000       629.5437 411.9810 9.007424 409.1172 15.75012 2.863800       18.14387 
1 1 1 2   8  23 o 289.6109 5.658916 4113.513       160.4185 4115.334       185.0186 4108.000       321.9706 289.5752 6.527515 288.2710 11.43329 1.304169       13.16543 
1 1 1 2   8  24 o 209.9410 4.352356 2160.011       89.43921 2172.267       103.1903 2123.000       179.3232 210.4899 5.008429 207.5122 8.848810 2.977722       10.16788 
1 1 1 2   8  25 o 199.2649 4.195540 1945.977       81.83233 1944.366       94.04507 1951.000       166.0540 199.1381 4.824757 198.9095 8.548751 0.2285919      9.816283 
1 1 1 2   8  26 o 299.2201 6.762853 4399.014       198.0738 4404.530       242.6626 4388.000       342.8684 298.9998 8.299386 297.4363 11.80022 1.563507       14.42654 
1 1 1 2   8  27 o 203.1776 4.282634 2023.787       85.17123 1978.233       96.65839 2182.000       180.1332 200.8237 4.917207 210.2222 8.773335 -9.398499      10.05735 
1 1 1 2   8  28 o 328.6983 6.368316 5308.936       204.8935 5477.311       241.3159 4874.000       387.8470 333.6395 7.389283 312.8523 12.69163 20.78723       14.68601 
1 1 1 2   8  29 f 101.6676 4.582006 508.0132       45.48070 508.0132       45.48070 0.000000       0.000000 101.6676 4.582006 ?        ?        ?              ?        
1 1 1 2   8  30 o 291.3091 6.650352 4174.508       189.6290 4265.031       234.8675 4005.000       321.3933 293.9583 8.170572 283.6338 11.60086 10.32446       14.18937 
1 1 1 2   8  31 o 228.3627 4.710777 2559.501       105.2989 2530.427       120.4129 2654.000       217.0856 226.9582 5.420269 231.3176 9.608659 -4.359436      11.03203 
1 1 1 2   8  32 o 121.7480 4.832367 729.0128       57.47309 768.9000       80.06009 686.6000       82.55579 124.7835 6.577931 117.7910 7.194584 6.992508       9.748396 
1 1 1 2   8  33 o 167.0397 4.494251 1371.077       73.41562 1352.891       88.92728 1410.000       130.1001 165.7640 5.488300 168.6950 7.900915 -2.931030      9.620078 
1 1 1 2   8  34 o 159.5258 3.764513 1248.854       58.78222 1277.071       68.16517 1167.000       116.0986 161.1912 4.324217 153.3493 7.759842 7.841873       8.883356 
1 1 1 2   8  35 o 212.1415 5.169143 2215.988       107.3373 2343.039       134.8156 1996.000       177.3989 217.7187 6.332858 199.8783 9.091122 17.84038       11.07942 
1 1 1 2   8  36 o 205.5111 5.065426 2081.432       101.8961 2081.432       101.8961 0.000000       0.000000 205.5111 5.065426 ?        ?        ?              ?        
1 1 1 2   8  37 o 201.5208 4.339199 1999.687       85.59247 2061.750       100.1876 1832.000       164.6821 204.4184 5.007117 190.8813 8.838066 13.53711       10.15789 
1 1 1 2   8  38 o 47.34493 4.813301 111.7785       21.99628 115.3225       24.73486 98.38000       48.09427 47.99325 5.356514 43.02121 11.28353 4.972046       12.49041 
1 1 1 2   8  39 o 95.02965 3.436994 444.8302       31.91745 435.7456       36.13188 477.1000       68.09843 93.95853 3.937420 97.38857 7.194492 -3.430038      8.201463 
1 1 1 2   8  40 o 164.7691 3.879357 1338.989       62.56650 1338.667       71.82134 1340.000       127.4180 164.4858 4.464992 162.6148 8.029894 1.871017       9.187782 
1 1 1 2   8  41 o 55.95862 4.428350 155.8936       24.05817 168.0636       26.97658 108.6000       53.17936 58.03315 4.791687 44.53742 11.95101 13.49573       12.87583 
1 1 1 2   8  42 o 117.9921 3.537841 687.3400       40.81376 698.1146       46.57632 651.7000       84.70958 118.7670 4.012243 113.0705 7.699740 5.696518       8.682402 
1 1 1 2   8  43 o 77.56782 3.765773 297.9955       28.50639 299.0262       31.97248 294.0000       62.95018 77.58362 4.226132 75.15960 8.718245 2.424019       9.688549 
1 1 1 2   8  44 o 120.2900 3.558158 715.4772       41.84883 725.2975       47.70784 682.7000       87.15896 120.9369 4.035834 115.3080 7.767617 5.628929       8.753504 
1 1 1 2   8  45 o 72.97867 4.370476 265.6091       31.07683 265.6091       31.07683 0.000000       0.000000 72.97867 4.370476 ?        ?        ?              ?        
1 1 1 2   8  46 o 46.20285 5.173198 108.3228       22.99439 114.6196       25.44205 80.24000       53.72945 47.40522 5.590411 37.80573 12.49302 9.599483       13.68679 
1 1 1 2   8  47 o 48.72744 5.666111 121.6331       26.52150 126.8526       30.17321 103.9000       55.61601 49.49052 6.376675 41.95825 12.56258 7.532272       14.08831 
1 1 1 2   8  48 o 73.98874 4.324430 274.8538       31.18196 239.3511       35.61251 391.5000       64.55158 68.56817 5.348360 86.09602 7.742410 -17.52785      9.410094 
1 1 1 2   8  49 o 50.78008 5.149149 131.7175       25.24039 102.5000       37.79657 155.2345       33.90955 42.77460 9.293614 54.53723 6.478628 -11.76263      11.32890 
1 1 1 2   8  50 o 37.47094 6.389733 74.24610       22.59608 66.30000       33.20879 81.09659       30.83451 34.11787 9.562278 38.23973 8.462055 -4.121857      12.76885 
1 1 1 2   8  51 o 37.83936 6.858593 76.66879       24.46786 40.18000       43.31546 93.76786       29.65169 28.63731 10.99912 41.58579 7.562991 -12.94848      13.34839 
1 1 1 2   8  52 o 22.91774 8.179816 26.01918       23.16953 59.29000       42.15719 11.62008       27.73369 32.06095 11.06505 20.58865 8.495003 11.47230       13.94993 
1 1 1 2   8  53 o 25.66521 7.030194 35.98972       18.17861 42.45779       24.29470 27.76149       27.40169 27.60803 8.311441 23.89564 8.840836 3.712397       12.13427 
1 1 1 2   8  54 o 33.83043 5.857712 60.81078       18.69516 56.58941       25.05508 66.11327       28.08075 31.63774 8.067042 34.03332 8.464635 -2.395584      11.69304 
1 1 1 2   8  55 o 43.37498 4.814313 97.04776       20.09608 80.75144       26.95628 117.4367       30.15175 38.18596 7.479603 46.66053 6.801700 -8.474567      10.10978 
1 1 1 2   8  56 o 23.40506 7.689567 29.53914       20.36598 45.21437       24.75335 -3.305000      35.83076 28.19073 8.366689 20.05843 8.955853 8.132303       12.25597 
1 1 1 2   8  57 o 42.75010 5.049529 94.92090       20.72242 96.80464       27.62882 92.49852       31.33091 42.15976 6.936111 40.40970 8.201581 1.750065       10.74130 
1 1 1 2   8  58 o 20.44855 7.818217 18.51429       21.81782 19.68726       25.16170 14.96000       43.79976 21.38235 8.336545 24.02336 10.32913 -2.641006      13.27362 
1 1 1 2   8  59 o 45.58020 4.817728 107.4643       21.16947 110.9585       29.03730 103.5002       30.92840 45.20002 6.771338 43.08873 7.611360 2.111290       10.18743 
1 1 1 2   8  60 o 39.02077 5.284060 80.00854       19.66409 74.71400       26.94721 86.03924       28.75965 36.29342 7.816609 39.02759 7.801376 -2.734177      11.04359 
1 1 1 2   8  61 f 26.58303 7.047880 39.78355       18.63399 57.98042       25.85972 20.13060       26.87444 31.50144 8.279564 21.57822 8.553704 9.923220       11.90450 
1 1 1 2   8  62 o 41.38391 5.625396 91.39935       22.19778 117.8507       28.63385 51.56000       35.14083 46.48750 6.467608 28.97050 10.09673 17.51699       11.99058 
1 1 1 2   9  0  o 654.3175 12.20008 21110.37       781.3715 20030.00       1503.545 21510.11       914.5724 629.9110 24.43179 659.6301 14.16483 -29.71906      28.24101 
1 1 1 2   9  1  o 256.0639 5.026855 3213.065       125.9943 3272.496       180.1631 3156.177       176.2665 258.1587 7.136576 253.5287 7.109935 4.629990       10.07382 
1 1 1 2   9  2  o 583.6046 10.88525 16764.92       621.8181 16978.37       887.4614 16559.08       871.5225 585.3941 15.50163 578.1553 15.41400 7.238770       21.86074 
1 1 1 2   9  3  o 208.9051 4.239262 2137.651       86.68531 2134.770       122.3963 2140.550       122.7877 208.5911 6.000921 208.8726 6.012003 -0.2815094     8.494424 
1 1 1 2   9  4  o 308.2470 5.926449 4657.363       178.8133 4773.434       257.0161 4548.474       248.9377 311.7072 8.431528 304.2771 8.366185 7.430023       11.87787 
1 1 1 2   9  5  o 477.7191 8.948768 11204.33       418.4486 11077.74       587.2366 11334.91       596.4216 474.1018 12.66556 479.5636 12.71699 -5.461792      17.94821 
1 1 1 2   9  6  o 397.4578 7.509120 7746.630       292.1368 7683.903       410.0778 7811.269       416.2797 395.3183 10.60732 398.5709 10.67985 -3.252594      15.05239 
1 1 1 2   9  7  o 433.4893 8.146436 9215.354       345.6625 9278.343       491.2341 9153.577       486.4818 434.3710 11.56400 431.4446 11.52988 2.926361       16.32985 
1 1 1 2   9  8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   9  9  o 603.5055 12.97377 17898.30       766.3970 17656.45       930.0424 18410.00       1352.806 598.5989 15.88710 609.1021 22.73012 -10.50311      27.73190 
1 1 1 2   9  10 o 321.7986 6.171646 5072.528       194.3978 5064.025       274.5691 5081.075       275.2723 321.2695 8.739357 321.8096 8.747025 -0.5400696     12.36474 
1 1 1 2   9  11 o 354.6969 6.750600 6163.719       234.3721 5954.792       323.5424 6394.402       339.9721 348.3277 9.498227 360.9516 9.631110 -12.62387      13.52681 
1 1 1 2   9  12 o 356.4124 9.583401 6234.840       334.0291 6053.000       462.5604 6433.000       482.8709 350.6763 13.50106 361.5062 13.67075 -10.82993      19.21375 
1 1 1 2   9  13 o 139.9270 3.283497 958.5018       44.97223 943.5032       50.40894 1017.000       99.55256 138.7732 3.714381 143.8909 7.090098 -5.117737      8.004131 
1 1 1 2   9  14 o 460.0162 9.983832 10382.83       449.5486 10170.66       542.1028 10850.00       804.4160 454.8505 12.18704 468.6975 17.56511 -13.84698      21.37889 
1 1 1 2   9  15 o 567.9233 10.59097 15832.98       588.7510 16236.85       691.6109 14770.00       1122.029 574.8214 12.29200 545.7252 21.04450 29.09619       24.37138 
1 1 1 2   9  16 o 210.8135 4.983444 2176.633       102.8334 2111.781       121.8652 2337.000       191.6347 207.5289 6.005536 218.0805 8.996732 -10.55156      10.81701 
1 1 1 2   9  17 o 153.0384 3.514907 1146.702       52.65267 1155.960       60.06871 1116.000       109.3905 153.5939 3.998875 150.6884 7.439407 2.905502       8.446051 
1 1 1 2   9  18 o 338.0779 6.483800 5602.640       214.5619 5537.280       245.5058 5814.000       441.4849 336.0142 7.464452 343.3079 13.16228 -7.293701      15.13154 
1 1 1 2   9  19 o 134.3385 3.894515 884.5507       51.15659 857.1214       60.68621 951.9000       95.09322 132.1921 4.697528 139.1417 7.004627 -6.949661      8.433954 
1 1 1 2   9  20 o 271.9816 5.346823 3625.414       142.3447 3701.587       166.1241 3415.000       276.1014 274.7603 6.176926 263.2028 10.73952 11.55753       12.38918 
1 1 1 2   9  21 o 337.7476 6.483842 5595.973       214.3537 5659.818       249.1347 5414.000       420.6049 339.5354 7.496230 330.7947 13.01541 8.740692       15.01980 
1 1 1 2   9  22 o 272.5450 5.368018 3642.006       143.2051 3551.389       162.3321 3960.000       304.0934 269.0554 6.163914 283.1679 10.99214 -14.11252      12.60242 
1 1 1 2   9  23 o 224.1031 6.484870 2467.125       142.1014 2532.000       201.5486 2403.000       200.3800 226.6267 9.104316 220.7345 9.295033 5.892181       13.01100 
1 1 1 2   9  24 o 216.3617 5.175486 2295.682       109.6069 2298.984       133.9783 2289.000       190.5928 216.3171 6.334397 215.4130 9.059390 0.9040833      11.05428 
1 1 1 2   9  25 o 145.8937 3.468764 1042.762       49.53562 1063.388       57.05348 979.6000       99.83804 147.2541 3.961899 140.9835 7.259161 6.270599       8.269950 
1 1 1 2   9  26 o 354.0524 6.792248 6160.494       235.3896 6248.084       274.0392 5914.000       459.7117 356.3108 7.857377 344.4727 13.66113 11.83813       15.75960 
1 1 1 2   9  27 o 233.9240 4.757936 2683.918       108.9430 2707.269       126.0556 2615.000       216.5569 234.8558 5.483459 229.9305 9.643497 4.925323       11.09348 
1 1 1 2   9  28 o 135.7576 3.901267 904.1440       51.78756 904.1440       51.78756 0.000000       0.000000 135.7576 3.901267 ?        ?        ?              ?        
1 1 1 2   9  29 f 60.39963 4.645175 180.0193       27.25185 185.3082       31.86008 165.6000       52.60640 61.20252 5.372747 57.09369 9.763995 4.108826       11.14460 
1 1 1 2   9  30 o 369.1880 7.097671 6711.951       256.4896 6921.840       302.1012 6170.000       485.4422 374.5156 8.240932 350.4981 14.17892 24.01749       16.39984 
1 1 1 2   9  31 o 154.2646 5.210534 1170.218       78.56532 1166.000       107.7831 1175.000       114.7612 153.6591 7.186059 154.1650 7.628762 -0.5059052     10.48034 
1 1 1 2   9  32 o 133.4349 4.067662 874.4020       53.06559 849.8879       63.80521 929.4000       95.57004 131.4375 4.968359 137.0889 7.146866 -5.651337      8.704153 
1 1 1 2   9  33 o 116.4407 3.409774 665.4869       38.82117 683.9591       44.70109 608.8000       78.30684 117.9979 3.875496 110.7903 7.260924 7.207596       8.230461 
1 1 1 2   9  34 o 202.3578 5.037305 2014.623       99.77564 2067.715       123.5336 1915.000       169.2201 204.6476 6.174035 196.0382 8.841464 8.609436       10.78379 
1 1 1 2   9  35 o 101.2669 3.974452 504.5886       39.31939 492.1782       47.41868 531.9000       70.34414 99.87838 4.864970 103.4095 6.990712 -3.531090      8.516923 
1 1 1 2   9  36 o 107.1197 3.838581 564.7167       40.18311 596.7910       48.50003 494.5000       71.76024 110.0084 4.513707 99.45688 7.424856 10.55153       8.689191 
1 1 1 2   9  37 o 75.00980 4.076264 277.7518       29.81615 277.7518       29.81615 0.000000       0.000000 75.00980 4.076264 ?        ?        ?              ?        
1 1 1 2   9  38 o 43.03943 5.189382 92.92114       21.42123 83.48916       23.90901 131.3000       48.22874 40.54166 6.223490 49.93247 10.21246 -9.390804      11.95935 
1 1 1 2   9  39 o 120.2657 3.464805 712.4208       40.74496 720.2349       46.60983 687.1000       83.90321 120.8098 3.946868 116.8003 7.376535 4.009453       8.366065 
1 1 1 2   9  40 o 137.8638 4.231177 939.9731       57.02999 900.6597       68.02133 1033.000       104.6355 134.6013 5.172480 142.9641 7.503590 -8.362793      9.113639 
1 1 1 2   9  41 o 71.81574 3.830747 255.2959       26.83089 257.4354       30.20794 247.3000       58.39858 72.01064 4.305323 69.03293 8.845500 2.977707       9.837615 
1 1 1 2   9  42 o 57.24735 4.399683 163.3254       24.46478 137.2676       26.78983 294.2000       60.03831 52.22905 5.314175 75.49077 8.259752 -23.26172      9.821608 
1 1 1 2   9  43 o 75.46605 4.249322 283.1033       31.26220 283.1033       31.26220 0.000000       0.000000 75.46605 4.249322 ?        ?        ?              ?        
1 1 1 2   9  44 o 95.86503 3.988252 456.0589       37.34216 456.0589       37.34216 0.000000       0.000000 95.86503 3.988252 ?        ?        ?              ?        
1 1 1 2   9  45 o 57.30313 4.370308 164.2345       24.32809 137.7769       26.62062 298.3000       59.92417 52.18982 5.283777 75.53602 8.238152 -23.34620      9.787004 
1 1 1 2   9  46 o 93.46696 3.994125 435.0274       36.45722 423.2741       42.12524 470.1000       72.76917 91.89114 4.699018 94.85844 7.909184 -2.967300      9.199780 
1 1 1 2   9  47 o 29.89251 7.138613 47.94755       20.59882 53.85767       22.44161 16.33000       51.90630 31.63286 7.383042 26.87659 11.39030 4.756273       13.57381 
1 1 1 2   9  48 o 55.70338 4.237243 156.0390       22.92981 140.0288       25.08463 237.4000       56.54791 52.49775 4.939633 66.03042 8.981791 -13.53267      10.25049 
1 1 1 2   9  49 o 45.39786 5.495983 106.2529       23.92567 104.1618       26.85490 114.3000       52.68201 44.58498 6.331409 43.48506 11.99039 1.099915       13.55936 
1 1 1 2   9  50 o 67.80238 5.562879 236.0414       36.59470 0.000000       0.000000 236.0414       36.59470 ?        ?        67.80238 5.562879 ?              ?        
1 1 1 2   9  51 o 21.03592 7.618960 20.83262       20.18560 26.40000       29.06752 15.64709       28.05301 23.96916 9.056925 21.49552 8.665155 2.473646       12.53446 
1 1 1 2   9  52 o 68.25537 4.537119 236.3655       30.14052 342.6000       57.87496 196.8298       35.30630 79.94050 7.483335 61.48485 5.940375 18.45565       9.554494 
1 1 1 2   9  53 o 55.00089 5.003654 155.3667       26.64330 136.7000       47.09013 164.1559       32.31265 48.11700 10.30857 55.99360 5.988479 -7.876595      11.92177 
1 1 1 2   9  54 o 25.90446 8.159102 37.23973       23.09439 18.01000       42.29307 45.40970       27.56720 24.39481 10.30735 28.25428 8.916266 -3.859472      13.62869 
1 1 1 2   9  55 o 21.94471 7.598780 24.87630       19.88824 24.09417       23.95797 26.61000       35.66951 22.29770 8.263529 24.63588 9.825500 -2.338186      12.83847 
1 1 1 2   9  56 o 65.02914 3.745901 213.1550       23.74263 214.9470       32.01300 210.9643       35.39553 64.50806 5.111742 63.46145 5.760836 1.046608       7.701762 
1 1 1 2   9  57 o 54.87200 4.667296 154.5568       24.83049 151.6993       28.56180 163.4000       50.24591 53.88595 5.491739 52.26089 10.18860 1.625065       11.57440 
1 1 1 2   9  58 o 42.84966 4.887356 95.09818       20.13268 103.8995       26.89870 83.88762       30.35796 43.97050 6.440691 38.31080 8.333236 5.659702       10.53211 
1 1 1 2   9  59 o 42.46380 4.923289 93.65443       20.08474 94.13217       27.05804 93.06818       29.97338 41.47949 6.907114 40.66405 7.814282 0.8154411      10.42934 
1 1 1 2   9  60 o 59.10786 3.931898 177.3438       22.61922 157.7941       31.32475 198.6427       32.69611 54.48942 5.970783 61.56046 5.483434 -7.071033      8.106683 
1 1 1 2   9  61 f 18.19985 7.043835 13.91236       17.86164 26.15343       24.76875 0.6492304      25.78204 22.59342 8.396726 17.64573 7.750713 4.947693       11.42710 
1 1 1 2   9  62 o 29.78600 6.589704 49.49803       18.70297 59.18795       25.85348 38.85921       27.08979 31.65645 8.258345 25.85512 8.871995 5.801329       12.12075 
1 1 1 2   10 0  o 546.4874 11.78813 14691.30       630.5673 13930.00       1051.540 15118.78       787.9584 529.1021 20.34183 553.4531 14.55772 -24.35101      25.01435 
1 1 1 2   10 1  o 475.0429 8.902939 11076.34       413.9734 10895.75       578.9550 11265.26       592.1620 470.3122 12.58760 478.2078 12.66193 -7.895599      17.85419 
1 1 1 2   10 2  o 301.9094 5.818101 4466.303       171.9349 4429.913       241.7074 4503.576       244.6243 300.3859 8.228361 302.8714 8.259251 -2.485504      11.65852 
1 1 1 2   10 3  o 202.8604 4.153101 2015.212       82.46619 2021.035       116.7622 2009.417       116.4879 203.0096 5.882172 202.4245 5.885355 0.5850525      8.320899 
1 1 1 2   10 4  o 213.8595 4.329288 2239.681       90.62569 2232.840       127.9340 2246.571       128.3954 213.3825 6.131568 214.0379 6.134807 -0.6554108     8.673637 
1 1 1 2   10 5  f 676.4998 12.56660 22499.26       832.1312 22589.61       1180.049 22409.90       1173.600 676.0844 17.84732 673.3976 17.82068 2.686768       25.22109 
1 1 1 2   10 6  o 397.8378 7.508459 7757.665       292.3904 7655.906       409.6646 7863.329       417.4502 394.7877 10.61091 400.0958 10.66896 -5.308105      15.04720 
1 1 1 2   10 7  o 226.6818 5.229012 2516.514       116.0226 2509.206       142.3110 2531.000       200.3587 226.2225 6.433360 227.0043 9.035169 -0.7818298     11.09155 
1 1 1 2   10 8  o 316.8266 7.012130 4918.286       217.4592 4965.090       268.4724 4829.000       370.8076 318.1211 8.629832 313.3528 12.11232 4.768280       14.87220 
1 1 1 2   10 9  o 337.6206 6.449845 5584.008       213.1496 5339.371       292.3043 5861.808       311.4873 329.8662 9.061557 345.6242 9.215475 -15.75800      12.92427 
1 1 1 2   10 10 o 249.7849 6.932442 3059.315       169.3318 2870.000       229.8539 3284.000       250.4067 241.7008 9.735476 258.5558 9.912671 -16.85495      13.89390 
1 1 1 2   10 11 o 241.5734 6.733005 2861.400       159.0525 2875.000       225.7750 2848.000       224.1027 241.9212 9.553234 240.7832 9.527365 1.138000       13.49203 
1 1 1 2   10 12 o 409.7686 8.938616 8233.928       358.5215 8289.588       440.7032 8125.000       616.5090 410.8022 10.96973 405.9516 15.54398 4.850677       19.02499 
1 1 1 2   10 13 o 518.7272 13.77500 13242.33       698.7993 13600.00       1006.920 12910.00       970.5837 524.1966 19.65916 510.7682 19.44899 13.42834       27.65404 
1 1 1 2   10 14 o 428.3266 8.088706 8994.925       339.1254 8967.639       390.8711 9078.000       682.0189 427.5500 9.339861 428.8396 16.27738 -1.289520      18.76662 
1 1 1 2   10 15 o 230.3844 6.565430 2603.030       147.9038 2603.030       147.9038 0.000000       0.000000 230.3844 6.565430 ?        ?        ?              ?        
1 1 1 2   10 16 o 358.1193 6.826397 6286.186       239.2905 6445.289       280.5109 5861.000       458.5645 362.5298 7.904963 344.7589 13.61550 17.77087       15.74390 
1 1 1 2   10 17 o 105.8053 4.197687 549.1064       43.38712 549.1064       43.38712 0.000000       0.000000 105.8053 4.197687 ?        ?        ?              ?        
1 1 1 2   10 18 o 221.0016 4.496537 2392.418       97.27020 2418.617       112.3495 2314.000       194.3769 222.1780 5.166111 216.8652 9.177650 5.312866       10.53176 
1 1 1 2   10 19 o 264.8557 5.221475 3437.623       135.3657 3406.229       154.9142 3539.000       278.3777 263.5884 6.004250 267.9789 10.63386 -4.390503      12.21188 
1 1 1 2   10 20 o 240.0155 4.812682 2822.937       113.0661 2781.094       128.8529 2963.000       235.7463 238.1823 5.526862 245.2134 9.841870 -7.031158      11.28754 
1 1 1 2   10 21 o 160.0175 5.093183 1256.438       79.67271 1145.000       104.1023 1414.000       123.7851 152.5677 6.989515 169.5211 7.478398 -16.95340      10.23620 
1 1 1 2   10 22 f 244.3557 4.892507 2927.021       117.0200 2894.208       133.7683 3034.000       241.5320 242.9187 5.625823 247.9515 9.972144 -5.032806      11.44961 
1 1 1 2   10 23 o 189.2800 4.699477 1756.262       87.06839 1746.355       105.8421 1777.000       153.1322 188.5837 5.740555 189.8970 8.258126 -1.313324      10.05737 
1 1 1 2   10 24 o 189.3624 4.702356 1758.104       87.15966 1741.427       105.4810 1794.000       154.7525 188.2938 5.729772 190.7450 8.308472 -2.451157      10.09262 
1 1 1 2   10 25 o 193.3257 4.097367 1831.874       77.53554 1798.746       87.98704 1947.000       164.0218 191.5256 4.693378 198.6557 8.454509 -7.130112      9.669877 
1 1 1 2   10 26 o 233.8267 5.517085 2683.547       126.2728 2733.367       155.7526 2588.000       215.6945 235.7231 6.757332 228.7541 9.654762 6.968979       11.78456 
1 1 1 2   10 27 o 202.9185 6.071207 2024.435       120.4520 2024.435       120.4520 0.000000       0.000000 202.9185 6.071207 ?        ?        ?              ?        
1 1 1 2   10 28 f 362.8176 6.962214 6475.848       247.2533 6532.289       286.9190 6313.000       487.3631 364.0790 8.051142 355.1686 14.04653 8.910431       16.19031 
1 1 1 2   10 29 o 496.8908 9.399040 12208.79       457.1416 12553.94       537.7997 11310.00       867.8577 502.9621 10.92394 470.6602 18.87630 32.30194       21.80933 
1 1 1 2   10 30 o 156.3904 4.212822 1200.604       64.43084 1189.923       76.79440 1226.000       118.4119 155.5909 5.049109 157.4886 7.704775 -1.897781      9.211789 
1 1 1 2   10 31 o 249.0467 5.032045 3046.669       122.6681 3075.600       142.0884 2962.000       243.0741 250.0756 5.804718 243.9785 10.20094 6.097107       11.73686 
1 1 1 2   10 32 o 172.3832 4.531514 1460.230       76.39548 1371.206       89.93166 1691.000       144.7941 166.8791 5.513165 184.7393 8.026436 -17.86024      9.737487 
1 1 1 2   10 33 o 194.9430 4.884987 1869.485       93.13976 1963.870       116.5896 1703.000       154.8444 199.5547 5.975594 185.0633 8.571369 14.49138       10.44874 
1 1 1 2   10 34 o 194.2373 4.870142 1857.501       92.52046 1863.171       113.0461 1846.000       161.0160 194.2493 5.952544 192.4423 8.569449 1.806915       10.43399 
1 1 1 2   10 35 o 91.39697 4.011054 411.3596       35.79625 411.9920       43.32991 410.0000       63.52758 91.33547 4.864196 90.62518 7.221235 0.7102890      8.706701 
1 1 1 2   10 36 o 248.8804 5.893220 3065.028       143.5653 3118.017       177.2612 2964.000       244.7596 250.2246 7.244944 241.7925 10.36575 8.432083       12.64666 
1 1 1 2   10 37 o 109.7476 3.787700 593.3171       40.62800 566.3540       47.38960 668.1000       78.92222 107.0715 4.531962 115.5851 7.008693 -8.513618      8.346284 
1 1 1 2   10 38 o 106.8368 3.819742 562.8066       39.88060 562.8066       39.88060 0.000000       0.000000 106.8368 3.819742 ?        ?        ?              ?        
1 1 1 2   10 39 f 110.0775 3.412271 597.0488       36.72175 554.9078       40.63840 784.6000       85.73221 106.0019 3.923439 124.8887 7.041698 -18.88689      8.060948 
1 1 1 2   10 40 o 171.6357 3.954384 1454.326       66.43436 1412.115       74.95335 1609.000       143.4774 168.8361 4.539560 177.7912 8.267187 -8.955124      9.431542 
1 1 1 2   10 41 o 87.17883 3.513996 375.4002       29.92455 376.2616       33.71201 372.2000       64.98077 87.17120 3.961338 85.26395 7.874914 1.907257       8.815127 
1 1 1 2   10 42 o 18.95457 7.586053 9.838264       21.33774 9.838264       21.33774 0.000000       0.000000 18.95457 7.586053 ?        ?        ?              ?        
1 1 1 2   10 43 o 89.36771 3.962848 396.0954       34.57904 396.0954       34.57904 0.000000       0.000000 89.36771 3.962848 ?        ?        ?              ?        
1 1 1 2   10 44 o 37.46686 6.015202 72.29068       21.31355 63.62911       23.61174 110.4000       49.52739 34.76684 7.176343 44.44496 11.34697 -9.678120      13.42586 
1 1 1 2   10 45 o 59.61408 4.694636 178.4449       27.17319 166.2539       30.86964 220.4000       57.26711 57.22962 5.581519 64.05960 9.413592 -6.829979      10.94391 
1 1 1 2   10 46 o 53.30072 4.420890 142.7720       22.85745 134.8122       24.94242 184.5000       57.10883 51.59499 5.001499 57.54593 10.52649 -5.950935      11.65427 
1 1 1 2   10 47 o 24.59115 7.412763 32.05601       19.31594 25.09979       20.90516 72.66000       50.50696 22.56891 7.791792 35.63399 12.11691 -13.06507      14.40595 
1 1 1 2   10 48 o 37.51171 5.558682 72.90272       19.79336 68.02786       21.49417 100.1000       50.76946 35.92187 6.344974 40.92218 11.93916 -5.000305      13.52044 
1 1 1 2   10 49 o 40.82369 8.305070 91.65465       32.05571 73.72000       40.26395 122.7000       52.97468 35.59988 10.69595 45.12437 11.84561 -9.524487      15.96000 
1 1 1 2   10 50 o 26.29082 6.962016 37.43472       18.19662 51.53478       23.91161 18.03392       28.04840 30.55085 7.928356 22.03190 8.736938 8.518946       11.79801 
1 1 1 2   10 51 o 18.79338 7.052145 15.05903       17.55590 -6.700421      22.32751 50.29913       28.41417 15.68995 7.032790 29.87638 8.987219 -14.18643      11.41185 
1 1 1 2   10 52 o 44.23733 5.149098 101.0080       21.87971 83.87000       30.51204 119.1487       31.39187 38.72306 8.299476 47.11893 7.020370 -8.395874      10.87046 
1 1 1 2   10 53 o 22.04541 7.476302 25.20073       19.22701 21.73000       26.59086 29.00354       27.83393 22.28497 8.602572 24.15349 8.914937 -1.868517      12.38872 
1 1 1 2   10 54 o 49.57364 4.730120 126.1728       22.67452 118.5148       27.30142 143.2000       40.70971 47.36099 6.025452 50.38660 8.560181 -3.025608      10.46818 
1 1 1 2   10 55 o 22.25475 8.143240 24.39312       23.14239 28.23000       42.39700 22.76473       27.62007 25.87573 10.57066 22.59104 8.754824 3.284691       13.72537 
1 1 1 2   10 56 o 29.34184 9.467916 50.22665       30.94796 28.88000       43.10361 72.94000       44.46205 25.97016 10.63951 34.09561 11.36781 -8.125450      15.57004 
1 1 1 2   10 57 o 29.42221 6.530846 47.39667       18.31749 48.22532       23.71618 46.17144       28.83819 29.07977 8.055282 28.28021 9.140717 0.7995644      12.18361 
1 1 1 2   10 58 o 42.85001 4.822010 95.01580       19.87417 78.45255       25.69483 119.6808       31.35549 37.65321 7.234515 46.81722 7.061749 -9.164013      10.10972 
1 1 1 2   10 59 o 42.27745 4.993715 93.00674       20.26679 100.2832       27.46544 84.30855       30.02896 42.92315 6.760549 38.37222 8.241052 4.550930       10.65927 
1 1 1 2   10 60 o 15.75897 6.655905 4.168956       17.62429 -3.695769      24.31050 12.88166       25.58754 16.56466 7.387695 19.86525 8.174338 -3.300587      11.01807 
1 1 1 2   10 61 f 13.89870 6.212287 -4.096953      17.28943 -1.388500      24.00058 -7.018687      24.92766 16.75030 7.412631 16.18480 7.326779 0.5654984      10.42251 
1 1 1 2   11 0  f 50.57134 3.116523 125.6731       15.35204 117.3887       20.88074 135.4201       22.64904 48.76249 4.422812 52.39924 4.458185 -3.636745      6.279863 
1 1 1 2   11 1  o 590.5217 10.98938 17121.20       635.2072 16584.24       877.7960 17711.48       920.3514 580.0783 15.47351 599.4204 15.69965 -19.34210      22.04333 
1 1 1 2   11 2  o 319.0469 6.122689 4986.619       191.2066 4827.919       264.3936 5160.625       276.8503 313.6622 8.619745 324.2867 8.729813 -10.62454      12.26824 
1 1 1 2   11 3  o 661.4567 12.28223 21494.07       795.2153 21308.77       1118.158 21683.69       1131.164 657.1296 17.39915 662.8738 17.44883 -5.744141      24.64127 
1 1 1 2   11 4  o 329.3690 6.300989 5314.484       203.1410 5201.453       283.1574 5434.355       291.5981 325.5709 8.893712 332.7788 8.960210 -7.207855      12.62472 
1 1 1 2   11 5  o 406.7065 7.669751 8106.578       305.3294 8056.036       429.8177 8158.063       433.8119 405.0130 10.85177 407.5672 10.88391 -2.554260      15.36946 
1 1 1 2   11 6  f 727.3623 15.59308 26038.29       1110.168 26191.38       1365.662 25740.00       1906.257 728.2100 19.17602 718.6302 27.14886 9.579834       33.23823 
1 1 1 2   11 7  o 213.3719 4.336363 2229.143       90.56680 2233.009       128.0037 2225.268       128.1581 213.4228 6.133749 213.0512 6.151920 0.3716278      8.687289 
1 1 1 2   11 8  o 620.2310 11.53023 18885.21       699.9996 18887.05       989.1990 18883.37       990.7007 619.0905 16.33816 619.0232 16.36479 0.6726074E-01  23.12448 
1 1 1 2   11 9  o 464.2105 10.04981 10571.74       456.6454 10430.00       782.2026 10645.03       562.4393 459.6653 17.41637 465.3696 12.35822 -5.704285      21.35546 
1 1 1 2   11 10 o 502.1024 13.35219 12400.81       655.6398 11310.00       865.4573 13870.00       1004.412 478.3729 18.51799 529.5772 19.40937 -51.20428      26.82610 
1 1 1 2   11 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   11 12 f 720.1600 15.49439 25542.93       1092.219 23370.00       1772.128 26873.96       1386.968 684.2346 26.50980 737.1897 19.23766 -52.95508      32.75449 
1 1 1 2   11 13 o 349.8808 7.742183 6001.227       265.1489 5663.000       441.5521 6191.968       331.5894 339.0665 13.33024 355.1164 9.548120 -16.04987      16.39701 
1 1 1 2   11 14 o 132.8076 4.521379 864.7469       58.69028 864.7469       58.69028 0.000000       0.000000 132.8076 4.521379 ?        ?        ?              ?        
1 1 1 2   11 15 o 309.5307 6.926639 4696.495       209.8614 4701.707       256.7335 4686.000       364.3241 309.4643 8.483512 308.4507 12.09032 1.013550       14.76976 
1 1 1 2   11 16 o 484.7126 10.51799 11546.54       499.0258 11569.97       611.8557 11500.00       862.4348 484.5256 12.91259 481.3652 18.33751 3.160461       22.42764 
1 1 1 2   11 17 o 264.5685 5.220082 3429.686       135.1829 3248.512       149.7736 4226.000       313.9998 257.4417 5.943607 292.9012 10.97161 -35.45947      12.47809 
1 1 1 2   11 18 o 135.1732 3.231766 894.6912       42.75989 863.9825       47.53202 1025.000       97.91348 132.7734 3.660863 144.3866 6.948417 -11.61320      7.853816 
1 1 1 2   11 19 o 106.5727 4.162112 557.2292       43.33413 557.2292       43.33413 0.000000       0.000000 106.5727 4.162112 ?        ?        ?              ?        
1 1 1 2   11 20 o 232.7693 6.648028 2661.002       151.3142 2637.000       209.8420 2687.000       218.3954 231.3327 9.286083 233.4688 9.577038 -2.136124      13.33983 
1 1 1 2   11 21 o 243.5082 4.866488 2906.667       115.9940 2926.943       133.9831 2846.000       231.7554 244.2927 5.603165 240.1586 9.879929 4.134094       11.35819 
1 1 1 2   11 22 o 310.7967 6.019712 4739.914       183.1295 4680.589       209.3810 4933.000       377.7402 308.7140 6.929066 315.5349 12.25366 -6.820923      14.07708 
1 1 1 2   11 23 o 332.2103 6.393728 5418.923       207.9091 5488.137       241.7010 5222.000       407.6878 334.1433 7.389915 324.2729 12.86987 9.870361       14.84064 
1 1 1 2   11 24 o 323.1070 6.239284 5126.560       197.3274 5090.100       226.3540 5242.000       402.7704 321.7800 7.186591 324.7845 12.69384 -3.004456      14.58700 
1 1 1 2   11 25 o 228.1025 5.328218 2553.161       118.9647 2553.161       118.9647 0.000000       0.000000 228.1025 5.328218 ?        ?        ?              ?        
1 1 1 2   11 26 o 407.8280 8.957634 8204.680       357.5828 8204.680       357.5828 0.000000       0.000000 407.8280 8.957634 ?        ?        ?              ?        
1 1 1 2   11 27 o 138.6194 3.401751 941.5630       46.15648 946.0361       52.52531 926.4000       96.70583 138.8701 3.867915 137.0193 7.236141 1.850769       8.205029 
1 1 1 2   11 28 o 214.2029 5.116485 2252.237       107.2762 2341.241       132.7889 2085.000       182.0213 218.1519 6.225022 205.2497 9.082601 12.90222       11.01111 
1 1 1 2   11 29 o 80.35775 3.644342 317.2086       28.59047 311.1383       32.31220 339.1000       61.36168 79.53799 4.164871 82.58463 7.678848 -3.046646      8.735609 
1 1 1 2   11 30 o 143.1235 3.506522 1004.211       49.12399 998.4783       55.78774 1024.000       103.6480 142.6227 4.000119 143.9295 7.381730 -1.306747      8.395885 
1 1 1 2   11 31 o 213.7750 4.463655 2243.538       93.40149 2276.845       108.1799 2146.000       185.1232 215.2486 5.134523 207.8679 9.120648 7.380707       10.46659 
1 1 1 2   11 32 o 139.5834 3.463838 955.5863       47.32574 956.4073       53.84907 952.8000       99.19839 139.5437 3.946372 138.6781 7.333940 0.8656616      8.328297 
1 1 1 2   11 33 o 147.7396 3.564712 1071.087       51.54987 1085.815       59.21695 1025.000       104.7499 148.6364 4.074033 143.6930 7.473206 4.943359       8.511554 
1 1 1 2   11 34 o 216.0725 5.240682 2300.314       110.8392 2391.562       138.2304 2136.000       185.4946 219.8544 6.430267 206.5909 9.196102 13.26358       11.22126 
1 1 1 2   11 35 o 115.9274 3.844595 661.2933       43.56540 672.7614       52.33110 635.4000       78.63336 116.7970 4.586348 112.8838 7.153338 3.913261       8.497342 
1 1 1 2   11 36 o 86.86747 3.285069 371.2098       27.88205 367.0394       30.94554 389.2000       64.27227 86.32242 3.670801 88.01508 7.532722 -1.692665      8.379539 
1 1 1 2   11 37 o 40.53467 6.864509 84.06214       26.26488 80.98616       30.66165 92.54000       50.90340 39.45900 8.206363 41.72159 11.88923 -2.262589      14.44639 
1 1 1 2   11 38 o 57.88786 6.398445 169.0100       35.65064 156.9000       45.76546 187.7000       56.85529 55.03596 8.791066 59.84068 10.06340 -4.804714      13.36244 
1 1 1 2   11 39 o 161.5487 4.383468 1291.281       69.25099 1291.281       69.25099 0.000000       0.000000 161.5487 4.383468 ?        ?        ?              ?        
1 1 1 2   11 40 o 145.5298 3.656749 1045.295       52.04863 1001.985       58.17655 1219.000       116.5092 142.2974 4.181346 154.9750 7.704712 -12.67763      8.766199 
1 1 1 2   11 41 f 73.78911 4.106166 270.1853       29.54057 270.1853       29.54057 0.000000       0.000000 73.78911 4.106166 ?        ?        ?              ?        
1 1 1 2   11 42 o 72.22277 4.190172 259.2393       29.49466 259.2393       29.49466 0.000000       0.000000 72.22277 4.190172 ?        ?        ?              ?        
1 1 1 2   11 43 o 49.66800 4.691782 123.8015       22.53944 110.6548       24.65184 190.8000       55.65101 46.71319 5.496499 59.62916 9.880423 -12.91597      11.30638 
1 1 1 2   11 44 o 46.96641 5.343396 111.8317       24.12840 110.9257       27.36147 115.0000       51.16816 46.51386 6.161037 45.20479 11.52937 1.309074       13.07229 
1 1 1 2   11 45 o 122.3382 3.515841 741.7664       42.05784 764.1783       48.06963 668.6000       86.85345 123.9634 3.966711 113.3288 7.878673 10.63457       8.820900 
1 1 1 2   11 46 o 54.42133 4.327919 148.7875       22.86467 148.4760       24.97559 150.4000       56.82622 54.22097 4.753945 50.98804 11.64267 3.232933       12.57584 
1 1 1 2   11 47 o 16.56436 6.847108 5.456554       18.06217 9.698606       19.44432 -21.24000      48.77893 18.04439 7.234879 21.86696 10.03265 -3.822571      12.36922 
1 1 1 2   11 48 o 46.66039 8.273477 118.6368       36.40359 93.50000       47.64333 153.9000       56.42965 39.64474 11.56554 51.02888 11.56571 -11.38415      16.35626 
1 1 1 2   11 49 o 24.23328 7.095283 31.49980       17.90277 30.69525       19.09813 37.33000       51.41102 24.00269 7.398032 29.21167 11.74629 -5.208979      13.88187 
1 1 1 2   11 50 o 53.36680 4.618893 144.6842       23.89037 151.1392       26.84417 120.1000       52.38779 54.33538 5.107206 44.35910 11.84331 9.976284       12.89758 
1 1 1 2   11 51 o 15.11553 6.404260 2.414772       16.40191 -16.21172      20.57013 34.93064       27.17811 13.59204 6.332989 25.70732 8.883827 -12.11527      10.91005 
1 1 1 2   11 52 o 29.87542 6.285057 47.98100       17.79606 23.98836       22.28988 90.16214       29.55479 22.17152 8.009527 40.47295 7.742319 -18.30142      11.13984 
1 1 1 2   11 53 o 51.12116 4.553106 133.5748       22.54504 158.8443       27.31658 79.59000       39.92682 55.49788 5.085020 36.14782 10.59937 19.35007       11.75602 
1 1 1 2   11 54 o 44.64980 5.106478 103.4381       21.91665 81.13000       31.45201 124.4946       30.55702 37.51770 8.729335 48.13659 6.663816 -10.61889      10.98215 
1 1 1 2   11 55 f 44.76508 6.225500 106.6913       26.54131 131.6000       32.57299 57.48000       45.78409 49.33543 6.936458 31.16026 11.44531 18.17517       13.38318 
1 1 1 2   11 56 o 23.27002 7.489967 29.43542       19.37591 24.57000       26.67660 34.86825       28.18927 22.77070 8.659752 25.39698 9.026986 -2.626278      12.50911 
1 1 1 2   11 57 o 30.09538 8.053122 51.75974       24.18852 92.68000       46.10064 36.21498       28.41384 38.02095 11.44982 25.70618 9.069887 12.31477       14.60689 
1 1 1 2   11 58 o 46.49159 5.844049 114.5316       26.00848 74.52000       47.56339 131.5986       31.06410 34.00336 11.75233 49.38944 6.589973 -15.38607      13.47386 
1 1 1 2   11 59 o 23.81473 7.212776 31.41513       18.25710 34.20302       24.37584 27.85281       27.55418 24.84600 8.418107 23.53025 8.833821 1.315756       12.20250 
1 1 1 2   11 60 o 61.71128 3.839262 193.1920       23.07609 218.3105       32.36675 167.2247       32.90904 64.72553 5.151247 55.91501 6.112302 8.810524       7.993471 
1 1 1 2   11 61 o 19.57412 7.168270 18.90933       17.93822 -3.363984      24.62593 44.08743       26.18253 16.59698 7.416507 27.27661 8.699368 -10.67963      11.43169 
1 1 1 2   12 0  o 183.6735 3.883851 1651.663       69.82571 1632.371       97.87337 1671.661       99.64747 182.4837 5.485644 184.6669 5.518977 -2.183212      7.781478 
1 1 1 2   12 1  o 617.7598 11.48775 18734.50       694.6414 18394.55       970.0651 19092.26       995.1580 610.9894 16.23476 622.4476 16.34779 -11.45825      23.03949 
1 1 1 2   12 2  o 447.6234 8.404067 9822.235       368.2209 9866.991       522.7191 9778.150       518.7893 448.1147 11.92777 446.0966 11.89168 2.018036       16.84292 
1 1 1 2   12 3  o 383.9641 7.269518 7224.142       273.2137 6957.518       376.2369 7521.599       397.3958 376.4507 10.21996 391.4053 10.38183 -14.95456      14.56811 
1 1 1 2   12 4  o 682.9437 14.64858 22940.37       979.2341 22935.56       1199.434 22950.00       1695.738 681.7841 17.98883 679.2050 25.55211 2.579102       31.24913 
1 1 1 2   12 5  o 295.9734 6.603097 4291.638       191.2963 4355.992       236.8866 4171.000       324.3367 297.9958 8.128865 291.2701 11.39812 6.725677       13.99984 
1 1 1 2   12 6  o 505.0847 9.441186 12511.79       466.7636 12799.41       670.5776 12241.46       650.1051 510.1317 13.44123 498.9028 13.32448 11.22888       18.92640 
1 1 1 2   12 7  o 641.7030 11.93432 20222.39       749.6146 20563.32       1071.951 19896.11       1048.663 645.7430 16.97406 635.1995 16.88126 10.54346       23.93941 
1 1 1 2   12 8  o 164.1937 4.150543 1320.841       66.65295 1371.000       115.7710 1295.972       81.51877 167.1177 7.093494 162.5936 5.128511 4.524033       8.753244 
1 1 1 2   12 9  o 222.9844 6.398673 2437.980       139.5151 2387.000       192.0083 2495.000       203.0638 220.4448 8.916842 225.3565 9.225193 -4.911636      12.83021 
1 1 1 2   12 10 o 309.7346 8.455800 4707.489       256.1204 4833.000       370.8235 4593.000       354.1682 313.4142 12.11045 305.5544 11.86427 7.859741       16.95358 
1 1 1 2   12 11 o 309.6630 5.973634 4697.632       181.0649 4847.577       261.4962 4559.529       250.9576 314.2942 8.507903 304.8150 8.419259 9.479126       11.96948 
1 1 1 2   12 12 o 230.5084 5.326255 2602.589       120.1752 2599.278       147.9873 2609.000       205.9320 230.2189 6.573884 230.4280 9.148423 -0.2090912     11.26542 
1 1 1 2   12 13 o 453.8687 9.887247 10112.49       439.2501 10270.00       767.7581 10035.84       535.5601 455.6622 17.24486 451.6396 12.12560 4.022583       21.08116 
1 1 1 2   12 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   12 15 o 366.5107 9.945735 6604.551       356.4742 6429.000       494.7982 6794.000       514.0119 360.7822 14.03804 370.8616 14.18589 -10.07941      19.95760 
1 1 1 2   12 16 o 309.2797 8.539984 4699.834       258.2847 4473.000       353.3767 4960.000       378.4506 301.1371 12.01268 317.0898 12.21614 -15.95273      17.13296 
1 1 1 2   12 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   12 18 o 310.7449 8.591499 4748.522       261.0732 4410.000       351.1347 5167.000       390.4063 298.7646 12.03172 323.3479 12.35779 -24.58328      17.24752 
1 1 1 2   12 19 o 200.1495 5.920890 1966.492       115.8697 2063.000       164.7364 1872.000       163.0064 204.7228 8.237679 194.9537 8.563035 9.769089       11.88213 
1 1 1 2   12 20 o 142.8345 4.804973 1001.166       67.08286 1001.166       67.08286 0.000000       0.000000 142.8345 4.804973 ?        ?        ?              ?        
1 1 1 2   12 21 o 284.7435 6.464365 3980.129       180.1714 3915.940       218.1167 4118.000       319.6668 282.1179 7.906431 288.5133 11.34155 -6.395386      13.82543 
1 1 1 2   12 22 o 184.6987 4.580112 1672.330       82.80303 1575.909       96.96517 1932.000       159.1260 179.1421 5.536478 197.9890 8.228897 -18.84691      9.918031 
1 1 1 2   12 23 o 148.6547 3.436385 1082.614       50.00193 1075.496       56.57938 1108.000       106.8502 148.0920 3.906608 149.9456 7.302023 -1.853653      8.281372 
1 1 1 2   12 24 o 223.1577 6.489623 2448.739       141.6042 2448.739       141.6042 0.000000       0.000000 223.1577 6.489623 ?        ?        ?              ?        
1 1 1 2   12 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   12 26 o 178.8668 4.580504 1570.226       80.12937 1559.754       96.81527 1593.000       142.7717 178.1502 5.558827 179.6169 8.141781 -1.466705      9.858457 
1 1 1 2   12 27 o 199.0448 5.975958 1948.432       116.2980 2025.000       164.5428 1872.000       164.3978 202.4660 8.320456 194.5795 8.653275 7.886475       12.00455 
1 1 1 2   12 28 o 198.7912 5.997261 1944.294       116.5627 1995.000       163.5876 1892.000       166.1309 200.8796 8.337835 195.5280 8.702114 5.351685       12.05182 
1 1 1 2   12 29 o 171.8713 3.831730 1448.518       64.46211 1470.498       74.21621 1381.000       130.0785 173.0635 4.384670 167.0948 7.976127 5.968719       9.101864 
1 1 1 2   12 30 o 223.6873 4.613261 2456.673       101.0079 2521.683       117.8735 2277.000       195.9599 226.5090 5.316482 214.0888 9.373913 12.42017       10.77660 
1 1 1 2   12 31 o 252.9758 5.081950 3145.800       125.8391 3169.522       145.4000 3075.000       251.1942 253.7472 5.854058 248.2070 10.36205 5.540176       11.90135 
1 1 1 2   12 32 o 127.5105 3.363559 798.0505       41.94418 783.8958       47.20013 851.2000       91.46238 126.3203 3.821761 131.0334 7.158249 -4.713097      8.114579 
1 1 1 2   12 33 o 163.1091 3.749338 1306.311       59.86032 1354.163       69.57846 1170.000       117.4330 165.9322 4.287479 153.3318 7.850545 12.60037       8.945029 
1 1 1 2   12 34 o 120.9852 3.978110 720.2375       47.04618 727.9286       57.05518 703.9000       83.15643 121.4808 4.807728 118.8859 7.179397 2.594849       8.640486 
1 1 1 2   12 35 o 65.54521 3.455085 211.6526       22.08866 217.5064       24.31447 184.0000       52.84652 66.40872 3.755842 59.82874 9.328152 6.579983       10.05588 
1 1 1 2   12 36 o 57.09587 4.403008 161.6432       24.41715 155.6588       27.50460 183.9000       53.04267 55.90089 5.082167 59.66661 9.392255 -3.765717      10.67909 
1 1 1 2   12 37 o 99.17573 3.858474 485.1845       37.38504 462.1810       43.10626 555.0000       75.09645 96.63897 4.569976 105.0351 7.350701 -8.396156      8.655489 
1 1 1 2   12 38 o 215.8251 5.305353 2312.011       112.0786 2288.173       134.9545 2365.000       201.2067 213.9039 6.452967 214.7187 9.597660 -0.8148193     11.56529 
1 1 1 2   12 39 o 62.78490 5.986764 198.4539       36.34712 185.6000       45.65586 220.7000       60.06292 60.06115 7.961916 64.84212 9.766113 -4.780968      12.60036 
1 1 1 2   12 40 o 169.0884 5.594194 1427.923       92.46116 1427.923       92.46116 0.000000       0.000000 169.0884 5.594194 ?        ?        ?              ?        
1 1 1 2   12 41 o 134.4592 4.019109 895.2860       52.83709 895.2860       52.83709 0.000000       0.000000 134.4592 4.019109 ?        ?        ?              ?        
1 1 1 2   12 42 o 22.56713 7.354165 25.24067       18.64533 21.63817       19.92866 50.54000       52.81177 21.67049 7.599939 32.95448 12.25833 -11.28398      14.42309 
1 1 1 2   12 43 o 62.73411 4.348432 196.4094       26.53668 181.5301       29.51835 259.1000       60.59009 60.09048 5.065705 70.04609 9.048311 -9.955612      10.36983 
1 1 1 2   12 44 o 82.88669 3.534625 340.6028       28.61120 335.8304       31.81232 360.8000       65.44513 82.16644 3.967161 83.09212 8.151361 -0.9256897     9.065487 
1 1 1 2   12 45 o 83.61037 3.579368 347.2303       29.22582 365.9601       32.82039 275.5000       64.22873 85.71451 3.922254 71.41200 9.418015 14.30251       10.20211 
1 1 1 2   12 46 o 70.64417 3.760319 248.9469       25.90836 235.1517       28.53501 313.7000       61.82215 68.46244 4.279539 76.63702 8.377682 -8.174576      9.407444 
1 1 1 2   12 47 o 83.89109 5.715828 360.0869       46.65513 405.3000       65.88098 314.6000       66.08010 87.45470 7.777129 75.96021 9.066254 11.49449       11.94490 
1 1 1 2   12 48 o 39.33132 5.251859 79.74874       19.71405 74.78529       21.10992 113.6000       55.12924 37.82563 5.893537 43.03662 12.40763 -5.210987      13.73619 
1 1 1 2   12 49 o 56.08397 4.076401 158.3372       22.22527 156.5336       24.25101 167.8000       55.54810 55.59695 4.494566 53.53222 10.97001 2.064735       11.85505 
1 1 1 2   12 50 o 51.06815 4.851977 133.2306       23.96252 130.3770       26.77812 144.7000       53.68458 50.19862 5.541965 49.03038 11.40231 1.168240       12.67778 
1 1 1 2   12 51 o 53.93661 3.939691 146.6479       20.65601 132.5991       26.65577 167.7647       32.68029 50.59647 5.469080 56.67967 5.980562 -6.083195      8.104195 
1 1 1 2   12 52 o 21.18496 7.267095 22.83315       18.17503 38.11596       21.49728 -15.47000      34.03292 26.24035 7.799300 18.22832 8.369458 8.012032       11.44014 
1 1 1 2   12 53 o 51.01760 4.155560 132.1727       20.57223 110.2160       26.64755 164.5645       32.36623 45.60067 6.124808 55.91934 6.007303 -10.31867      8.579100 
1 1 1 2   12 54 o 59.10580 4.495100 178.3835       25.81109 182.4021       29.89005 166.6000       51.18307 59.36402 5.196294 52.84175 10.26566 6.522266       11.50588 
1 1 1 2   12 55 o 48.17536 4.355439 118.5943       20.31661 113.3679       26.72157 125.7547       31.27733 46.21310 6.052659 48.22602 6.815607 -2.012928      9.115216 
1 1 1 2   12 56 o 40.49900 4.992201 85.27486       19.37147 92.65335       25.50723 75.21980       29.77637 41.44298 6.501640 36.07775 8.561343 5.365223       10.75025 
1 1 1 2   12 57 o 44.09296 5.283574 101.5965       22.35005 121.6000       33.56407 85.66057       29.95791 46.84383 7.578772 38.81811 8.144674 8.025723       11.12535 
1 1 1 2   12 58 o 43.39614 5.410732 98.95264       22.48545 126.4000       34.70237 79.08991       29.52080 47.58079 7.715108 37.04908 8.341872 10.53171       11.36265 
1 1 1 2   12 59 o 29.05203 7.463120 47.89363       21.33405 63.42000       32.94234 36.67766       27.99871 32.28407 9.668986 25.61317 9.006228 6.670906       13.21368 
1 1 1 2   12 60 o 26.70614 8.337284 41.43321       24.16783 77.79000       46.25124 27.77780       28.34542 34.15330 11.59544 23.40305 8.920234 10.75025       14.62958 
1 1 1 2   12 61 o 22.00757 8.488391 23.51747       25.87404 18.90000       44.66246 25.85000       31.74350 24.04120 10.38426 23.31401 9.278656 0.7271862      13.92574 
1 1 1 2   13 0  o 977.3426 18.12365 47116.75       1733.799 46614.04       2434.875 47633.83       2469.415 967.9641 25.72149 978.4495 25.80647 -10.48541      36.43583 
1 1 1 2   13 1  o 372.3889 7.070044 6795.017       257.7063 6904.540       368.6621 6690.358       360.3824 375.0149 10.05230 369.1563 9.982651 5.858521       14.16694 
1 1 1 2   13 2  o 611.4715 11.37252 18356.13       680.6738 17841.60       942.9808 18915.86       983.5356 601.7105 16.02492 619.5177 16.23321 -17.80719      22.81042 
1 1 1 2   13 3  o 564.3853 12.15053 15645.25       671.2390 15374.65       811.8224 16230.00       1193.415 558.7955 14.85550 572.3237 21.34052 -13.52820      26.00199 
1 1 1 2   13 4  o 265.0993 6.004493 3442.529       155.8085 3355.048       187.9101 3635.000       278.7253 261.5491 7.347188 271.9622 10.49003 -10.41309      12.80711 
1 1 1 2   13 5  o 517.7431 9.672524 13149.68       490.1854 13010.08       688.0669 13293.54       698.5046 514.2107 13.68263 519.7742 13.74135 -5.563477      19.39173 
1 1 1 2   13 6  o 678.6758 12.60156 22632.97       837.1301 23040.07       1199.103 22245.91       1169.224 683.1187 17.94860 671.2795 17.81032 11.83917       25.28557 
1 1 1 2   13 7  o 613.1295 13.17812 18481.00       790.8824 18030.00       1344.936 18719.39       977.8120 602.4936 22.84708 616.1521 16.22704 -13.65851      28.02331 
1 1 1 2   13 8  o 360.9251 9.740726 6396.179       343.8091 6476.000       488.7647 6318.000       483.7136 362.5833 13.79682 358.1217 13.82509 4.461548       19.53165 
1 1 1 2   13 9  o 288.0779 6.483612 4066.313       182.8240 4312.000       329.9696 3957.480       219.6151 296.0759 11.40717 284.0068 7.907700 12.06912       13.88003 
1 1 1 2   13 10 o 197.8015 4.802084 1916.130       92.97486 1850.864       110.8477 2071.000       170.7535 194.2854 5.835425 205.3178 8.514916 -11.03239      10.32260 
1 1 1 2   13 11 o 477.4710 8.950780 11185.04       418.3253 11177.81       591.2719 11192.29       591.9312 476.5607 12.68672 476.8682 12.69267 -0.3075256     17.94594 
1 1 1 2   13 12 o 272.1340 7.491422 3633.993       199.3609 3471.000       273.7714 3818.000       290.8839 265.6093 10.55124 278.5709 10.68769 -12.96161      15.01851 
1 1 1 2   13 13 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 14 o 437.5091 11.75923 9428.036       503.1279 10400.00       761.7766 8676.000       670.0728 457.9494 17.02396 418.4217 16.39240 39.52768       23.63316 
1 1 1 2   13 15 o 408.0772 11.00210 8200.738       439.0638 7829.000       601.0750 8626.000       642.8923 397.5092 15.47768 417.1840 15.77201 -19.67471      22.09785 
1 1 1 2   13 16 o 284.7367 7.978954 3983.721       222.1607 3544.000       290.3231 4605.000       345.0931 268.0440 11.08940 305.5048 11.56103 -37.46075      16.01974 
1 1 1 2   13 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 19 o 63.08632 5.793993 196.8601       35.37902 149.2000       49.29198 247.5000       50.80951 54.24696 9.636152 70.58997 7.466567 -16.34301      12.19037 
1 1 1 2   13 20 o 92.26534 4.868299 418.5089       43.81093 387.1000       60.89976 452.2000       63.07343 88.49247 7.090044 95.72560 6.775283 -7.233131      9.806793 
1 1 1 2   13 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   13 22 o 155.4750 5.282982 1187.232       80.28133 1158.000       112.1087 1218.000       115.0170 153.2709 7.495360 157.2004 7.496449 -3.929535      10.60081 
1 1 1 2   13 23 o 140.3470 3.791246 965.9910       52.03474 965.9910       52.03474 0.000000       0.000000 140.3470 3.791246 ?        ?        ?              ?        
1 1 1 2   13 24 o 178.3891 5.433543 1563.363       94.76565 1563.363       94.76565 0.000000       0.000000 178.3891 5.433543 ?        ?        ?              ?        
1 1 1 2   13 25 o 123.9286 3.188860 752.9429       38.65026 739.7048       43.04677 808.0000       87.78808 122.8058 3.584930 127.9724 7.035372 -5.166611      7.896087 
1 1 1 2   13 26 o 244.4746 6.981948 2943.181       166.9058 3109.000       240.8601 2790.000       231.4991 250.5217 9.841449 237.2572 9.990720 13.26447       14.02386 
1 1 1 2   13 27 o 190.0411 5.796690 1776.304       107.7025 1932.000       155.2916 1632.000       149.5021 197.7603 8.039125 181.6453 8.431473 16.11504       11.64978 
1 1 1 2   13 28 o 86.26828 3.062612 365.1368       25.82020 358.1613       28.25882 400.4000       63.53717 85.41544 3.386671 89.84991 7.286925 -4.434471      8.035473 
1 1 1 2   13 29 o 209.9693 4.376320 2163.708       89.94377 2197.547       103.9621 2063.000       179.3507 211.5116 5.021511 203.9164 9.007782 7.595245       10.31289 
1 1 1 2   13 30 o 152.6461 4.173525 1144.475       62.29987 1077.352       72.64976 1331.000       121.1066 147.9785 5.022954 163.9750 7.565820 -15.99648      9.081393 
1 1 1 2   13 31 o 279.0700 6.437916 3841.226       175.8591 3912.318       217.7825 3708.000       298.1323 280.9740 7.926560 271.8380 11.22868 9.136047       13.74459 
1 1 1 2   13 32 o 170.2091 3.816863 1422.450       63.59098 1419.567       72.55877 1432.000       132.0487 169.8970 4.366747 169.6878 7.972477 0.2092285      9.090043 
1 1 1 2   13 33 o 228.2903 4.687210 2565.055       104.7389 2568.946       120.4638 2553.000       212.0238 228.2564 5.391720 225.5347 9.626425 2.721741       11.03353 
1 1 1 2   13 34 o 62.48951 3.395466 192.3417       20.69084 195.4104       22.54996 176.0000       52.03822 62.95324 3.675486 58.51198 9.404583 4.441254       10.09730 
1 1 1 2   13 35 o 98.29131 3.224176 475.0885       30.97790 490.2813       34.70894 415.6000       68.68143 99.80089 3.558742 90.85920 7.797955 8.941689       8.571624 
1 1 1 2   13 36 o 76.23792 3.304857 286.2663       24.60351 287.3975       26.98796 280.7000       59.86656 76.34034 3.622014 74.23647 8.385332 2.103874       9.134154 
1 1 1 2   13 37 o 166.9683 3.831258 1373.878       62.61544 1363.135       70.89095 1412.000       133.5439 166.0883 4.364375 167.0434 8.192473 -0.9551239     9.282477 
1 1 1 2   13 38 o 58.97682 4.256986 172.7675       24.40942 151.5810       26.73289 279.0000       59.86112 55.06012 5.015226 73.66500 8.454981 -18.60488      9.830523 
1 1 1 2   13 39 o 116.3863 4.589306 672.2411       52.17988 672.2411       52.17988 0.000000       0.000000 116.3863 4.589306 ?        ?        ?              ?        
1 1 1 2   13 40 o 89.65383 4.694896 400.0895       41.05679 403.9000       49.51049 391.7000       73.46372 89.74059 5.665318 86.94024 8.751636 2.800346       10.42530 
1 1 1 2   13 41 o 33.07425 6.554649 56.93568       20.46974 56.93568       20.46974 0.000000       0.000000 33.07425 6.554649 ?        ?        ?              ?        
1 1 1 2   13 42 o 91.95903 5.259567 423.9851       47.14498 399.3000       59.77911 464.6000       76.67865 88.44486 6.961182 94.60170 8.366914 -6.156837      10.88408 
1 1 1 2   13 43 o 56.62922 5.517019 162.3301       30.19370 139.2470       34.34877 240.8000       63.33084 51.90687 6.933793 66.87093 9.980536 -14.96406      12.15272 
1 1 1 2   13 44 o 51.10273 4.400488 131.0848       21.79741 141.5990       23.61636 70.61000       56.63874 53.06916 4.591490 36.11146 12.79947 16.95770       13.59809 
1 1 1 2   13 45 f 55.49008 4.143338 154.3192       22.34218 155.8033       24.39571 146.6000       55.63573 55.63540 4.518640 50.40698 11.52733 5.228420       12.38134 
1 1 1 2   13 46 o 34.36801 10.07395 66.92252       36.07196 56.92000       49.54035 78.21000       52.62629 32.58548 11.91584 36.61433 12.36923 -4.028847      17.17513 
1 1 1 2   13 47 o 52.36146 4.188331 138.0840       21.28754 141.8103       23.11719 117.3000       54.59621 52.95266 4.502727 43.96168 12.23866 8.990982       13.04068 
1 1 1 2   13 48 o 36.20547 5.508729 68.16278       18.90762 48.88852       20.15395 209.7000       54.61432 30.05695 6.983812 61.35426 9.392443 -31.29731      11.70434 
1 1 1 2   13 49 o 65.11881 3.707144 212.3327       23.53175 204.1488       25.82886 252.3000       57.07930 63.65807 4.168128 67.68591 8.825351 -4.027840      9.760129 
1 1 1 2   13 50 o 94.24768 3.887045 445.6486       35.78190 450.6784       41.69830 431.6000       69.68795 94.36910 4.527422 89.24469 8.064475 5.124413       9.248422 
1 1 1 2   13 51 o 48.04565 4.601950 117.8300       21.37800 104.4810       25.38367 150.4000       39.64956 44.60236 5.963504 52.36124 7.988671 -7.758884      9.969064 
1 1 1 2   13 52 o 54.77053 3.953912 151.5910       21.05460 151.4203       27.52193 151.8318       32.69266 54.09402 5.264358 53.51847 6.365370 0.5755577      8.260230 
1 1 1 2   13 53 o 32.92236 6.744934 59.21712       21.00432 33.93941       23.43857 162.3000       47.33208 24.89237 8.252357 52.84928 9.498927 -27.95691      12.58296 
1 1 1 2   13 54 o 82.45433 3.421208 340.6155       27.55210 353.5674       37.73404 325.8247       40.32388 83.20298 4.651797 79.43917 5.214701 3.763809       6.988013 
1 1 1 2   13 55 o 32.85527 6.009637 57.95035       18.61480 68.14580       24.45841 43.91463       28.69738 34.98666 7.374825 27.69398 9.129324 7.292675       11.73595 
1 1 1 2   13 56 o 51.05481 4.233654 132.9062       20.96713 136.6723       28.04932 128.1369       31.56505 50.95873 5.722128 48.63592 6.817412 2.322811       8.900554 
1 1 1 2   13 57 o 60.31676 3.847878 184.0598       22.59930 200.4294       31.05488 165.6317       32.94968 62.16932 5.149410 55.83316 6.129788 6.336163       8.005668 
1 1 1 2   13 58 o 19.03615 7.134449 16.48206       17.95642 28.87633       24.57169 2.277212       26.30528 23.42608 8.416357 18.18121 7.910551 5.244871       11.55041 
1 1 1 2   13 59 o 32.05790 6.437818 56.40508       19.49903 69.52627       26.72584 41.47108       28.51234 34.74055 8.021505 26.78088 9.104045 7.959675       12.13376 
1 1 1 2   13 60 o 42.75390 6.576332 100.1993       26.64060 116.4000       37.27331 83.28000       38.09098 44.29042 8.906725 36.16943 10.27731 8.120991       13.59974 
1 1 1 2   14 0  o 372.9179 7.083804 6814.973       258.5747 6964.573       371.4980 6674.391       360.1268 376.6051 10.08684 368.6822 9.988434 7.922882       14.19554 
1 1 1 2   14 1  o 738.2761 13.70324 26804.97       990.2577 27158.93       1414.759 26465.00       1386.539 741.0467 19.52132 731.5669 19.38003 9.479797       27.50759 
1 1 1 2   14 2  o 368.2359 8.083784 6647.614       291.3715 6438.249       349.0286 7129.000       529.2442 362.1085 9.856444 380.3962 14.23905 -18.28778      17.31762 
1 1 1 2   14 3  o 639.9056 13.74822 20139.98       861.1295 20206.04       1057.544 20010.00       1483.472 639.9298 16.89819 634.2314 23.93897 5.698364       29.30227 
1 1 1 2   14 4  o 358.1291 6.822991 6284.836       239.1777 6115.633       331.6830 6468.132       345.2195 352.9305 9.610198 362.9527 9.725921 -10.02228      13.67295 
1 1 1 2   14 5  o 296.7713 6.638710 4315.587       192.8466 4449.000       340.0963 4252.363       234.1242 300.7369 11.57499 294.3897 8.132681 6.347229       14.14641 
1 1 1 2   14 6  o 377.9669 10.17171 7016.882       375.9751 7158.000       537.8193 6882.000       525.8026 381.0609 14.44518 373.6393 14.40384 7.421600       20.39935 
1 1 1 2   14 7  o 348.6397 7.696256 5958.920       262.6410 6339.000       475.1624 5791.712       315.1614 358.6950 13.55792 343.4446 9.383768 15.25043       16.48855 
1 1 1 2   14 8  o 317.8451 6.118191 4949.853       190.3465 4990.411       270.6678 4910.168       267.7372 318.8472 8.680649 316.2740 8.656603 2.573120       12.25930 
1 1 1 2   14 9  o 290.9265 5.657091 4146.485       161.0952 4300.917       233.3738 4005.918       222.6505 296.0322 8.061417 285.7009 7.969484 10.33130       11.33574 
1 1 1 2   14 10 o 448.9946 9.766299 9898.280       429.2174 9610.067       514.2647 10560.00       779.2324 441.9070 11.89995 461.8689 17.26662 -19.96182      20.97010 
1 1 1 2   14 11 o 170.2183 5.260035 1420.844       87.53458 1420.844       87.53458 0.000000       0.000000 170.2183 5.260035 ?        ?        ?              ?        
1 1 1 2   14 12 o 225.1328 4.555726 2482.668       100.3928 2458.604       141.2708 2507.219       142.6937 223.8519 6.454148 226.0560 6.455465 -2.204025      9.128475 
1 1 1 2   14 13 o 266.6446 6.109483 3485.431       159.4569 3267.000       265.4609 3608.734       199.4483 257.5216 10.55363 271.1015 7.523370 -13.57986      12.96072 
1 1 1 2   14 14 o 455.9508 12.22766 10254.96       545.2247 10770.00       797.9813 9804.000       746.6991 465.3479 17.55043 444.0957 17.21019 21.25220       24.58064 
1 1 1 2   14 15 o 286.9861 8.011073 4047.728       224.8188 3959.000       313.2329 4142.000       322.8696 283.2315 11.32128 289.6952 11.40853 -6.463623      16.07252 
1 1 1 2   14 16 o 281.5914 7.891464 3897.964       217.2975 3888.000       306.7468 3908.000       307.8663 280.6059 11.19048 281.3252 11.20254 -0.7192383     15.83426 
1 1 1 2   14 17 o 564.8976 15.11505 15858.64       835.0164 16130.00       1195.333 15600.00       1166.961 565.2320 21.64509 555.9822 21.48361 9.249756       30.49681 
1 1 1 2   14 18 o 272.5986 7.690185 3654.663       204.9899 3906.000       302.4088 3441.000       278.8242 281.1128 11.01155 263.8693 10.81826 17.24350       15.43661 
1 1 1 2   14 19 o 214.4620 6.375385 2259.781       133.6844 2197.000       185.9107 2327.000       192.3713 211.0474 9.020299 217.2036 9.068246 -6.156250      12.79058 
1 1 1 2   14 20 f 212.5346 6.344337 2219.846       131.8365 2049.000       177.7028 2429.000       196.6189 203.7679 8.931175 221.8641 9.072964 -18.09627      12.73124 
1 1 1 2   14 21 o 270.0457 7.646976 3589.985       201.9276 3583.000       285.2711 3597.000       285.8673 268.9879 10.85706 269.5132 10.85846 -0.5253906     15.35519 
1 1 1 2   14 22 o 215.0569 9.124317 2285.000       191.6337 2285.000       191.6337 0.000000       0.000000 215.0569 9.124317 ?        ?        ?              ?        
1 1 1 2   14 23 o 137.8696 7.195639 937.5000       96.76949 937.5000       96.76949 0.000000       0.000000 137.8696 7.195639 ?        ?        ?              ?        
1 1 1 2   14 24 o 200.9171 6.146084 1985.209       120.7287 1941.000       168.3650 2032.000       173.2106 198.1858 8.700268 202.7764 8.747290 -4.590607      12.33733 
1 1 1 2   14 25 o 178.2280 8.105462 1569.000       141.0333 0.000000       0.000000 1569.000       141.0333 ?        ?        178.2280 8.105462 ?              ?        
1 1 1 2   14 26 o 94.91110 7.343278 446.3000       67.68999 0.000000       0.000000 446.3000       67.68999 ?        ?        94.91110 7.343278 ?              ?        
1 1 1 2   14 27 o 208.7384 4.334536 2137.679       88.56276 2165.050       102.1757 2055.000       177.5838 209.9897 4.970996 203.6677 8.929597 6.322021       10.22001 
1 1 1 2   14 28 o 141.1119 3.381420 976.1363       46.70559 984.0974       52.88145 947.9000       99.59147 141.6033 3.818743 138.4418 7.375970 3.161545       8.305885 
1 1 1 2   14 29 o 76.36066 2.986981 286.2181       22.28280 293.9155       24.15262 242.2000       57.75764 77.36588 3.196281 69.40813 8.691474 7.957748       9.260557 
1 1 1 2   14 30 o 91.39587 3.803207 410.5980       33.94945 404.5800       39.62767 427.2000       65.81937 90.64597 4.480140 92.69814 7.313179 -2.052177      8.576378 
1 1 1 2   14 31 o 182.6254 3.966321 1637.748       70.90146 1632.877       80.82967 1654.000       147.6567 182.2612 4.530754 182.3279 8.295317 -0.6677246E-01 9.451984 
1 1 1 2   14 32 o 153.1170 3.574098 1151.035       53.56684 1188.165       61.80927 1039.000       107.3653 155.4429 4.065834 144.4812 7.618756 10.96164       8.635765 
1 1 1 2   14 33 o 145.9789 3.482364 1046.625       49.75885 1026.143       55.88398 1125.000       109.3151 144.4158 3.957089 150.2227 7.457590 -5.806854      8.442406 
1 1 1 2   14 34 o 113.9437 3.885341 639.4249       43.27032 648.3322       51.93177 619.2000       78.25367 114.5832 4.639863 111.2702 7.223928 3.312958       8.585655 
1 1 1 2   14 35 o 133.7928 3.373196 880.5727       44.14020 857.3522       49.14385 977.5000       100.4052 131.9229 3.809763 139.6497 7.371412 -7.726852      8.297711 
1 1 1 2   14 36 o 196.2586 4.216363 1900.170       80.99773 1878.215       91.84454 1977.000       171.8106 194.8867 4.814653 197.3066 8.919214 -2.419922      10.13574 
1 1 1 2   14 37 o 192.8944 4.186345 1837.749       79.04253 1821.584       89.68354 1894.000       167.2982 191.7805 4.777515 192.5856 8.898910 -0.8050842     10.10026 
1 1 1 2   14 38 o 64.44050 3.801956 205.6135       23.87470 205.6135       23.87470 0.000000       0.000000 64.44050 3.801956 ?        ?        ?              ?        
1 1 1 2   14 39 o 67.27226 3.511602 223.8125       23.04312 214.6527       24.74816 283.5000       63.17464 65.80608 3.859055 73.81460 8.924664 -8.008522      9.723268 
1 1 1 2   14 40 o 131.4892 3.956087 856.0622       50.85901 822.1536       58.39442 962.6000       103.5066 128.5739 4.647584 137.2444 7.736223 -8.670502      9.024920 
1 1 1 2   14 41 o 73.59713 4.772016 270.6209       34.19175 273.1000       40.16872 264.1000       65.14746 73.64889 5.614370 70.53584 9.691823 3.113045       11.20056 
1 1 1 2   14 42 o 85.32954 4.514511 363.1893       37.57234 363.1893       37.57234 0.000000       0.000000 85.32954 4.514511 ?        ?        ?              ?        
1 1 1 2   14 43 o 116.7882 4.046770 678.2543       46.19098 700.5455       54.39238 620.6000       87.47586 118.3675 4.703975 109.0208 8.258767 9.346687       9.504453 
1 1 1 2   14 44 o 90.36480 4.351076 408.3525       38.37285 417.5740       45.37566 385.2000       71.89891 91.01469 5.113940 85.06335 8.760346 5.951347       10.14377 
1 1 1 2   14 45 o 26.93610 10.05081 34.16328       35.55704 10.47000       47.85699 63.36000       53.12510 25.27604 10.83109 34.07163 12.35738 -8.795591      16.43221 
1 1 1 2   14 46 o 19.91503 8.000867 12.38963       23.82952 0.3803886      27.14808 52.70000       49.73817 18.61031 8.067195 31.76772 11.88053 -13.15741      14.36059 
1 1 1 2   14 47 o 18.66133 6.936440 14.92810       16.90396 19.02005       18.00896 -15.38000      49.01208 20.14595 7.209176 22.32089 10.17078 -2.174934      12.46663 
1 1 1 2   14 48 o 37.61182 5.255216 73.16649       18.81991 65.52643       20.31237 119.5000       50.02185 35.23376 6.111168 44.63130 11.40822 -9.397541      12.94194 
1 1 1 2   14 49 o 28.21478 6.688368 43.09584       18.18834 41.18721       19.66775 54.37000       47.80088 27.44473 7.224065 31.40673 11.66616 -3.961996      13.72175 
1 1 1 2   14 50 o 29.00815 6.862795 45.88047       19.17971 45.88047       19.17971 0.000000       0.000000 29.00815 6.862795 ?        ?        ?              ?        
1 1 1 2   14 51 o 30.79284 6.815858 51.72580       20.00004 52.56210       21.98414 47.71000       48.17438 30.81556 7.384905 29.89988 11.56907 0.9156742      13.72517 
1 1 1 2   14 52 o 14.07218 6.308049 -5.491340      17.96594 -7.005374      19.62532 2.343000       44.64267 14.48803 6.535246 22.73112 10.08191 -8.243090      12.01476 
1 1 1 2   14 53 o 40.83713 4.629646 85.89760       18.17974 73.40534       23.18973 105.8180       29.28362 36.74461 6.694122 44.07352 7.023510 -7.328911      9.702627 
1 1 1 2   14 54 o 47.10512 4.251774 113.1900       19.39318 94.35653       25.08346 141.1774       30.57761 41.97490 6.299308 51.55568 6.182441 -9.580776      8.826316 
1 1 1 2   14 55 o 22.06112 7.092734 26.19893       17.37860 29.89384       22.23912 20.40383       27.85133 23.56549 8.039847 22.01663 8.714043 1.548855       11.85638 
1 1 1 2   14 56 o 29.50238 6.454079 47.64310       18.11832 58.23286       24.05000 33.74492       27.55187 32.04679 7.752228 24.99730 8.920149 7.049488       11.81804 
1 1 1 2   14 57 o 46.81641 4.452991 112.5760       20.16048 132.6830       27.24672 88.24895       29.96990 50.17300 5.645906 39.37491 8.048050 10.79809       9.830939 
1 1 1 2   14 58 o 63.80244 3.783746 205.9368       23.52398 254.1525       32.84926 155.1821       33.70303 70.21755 4.808425 53.62685 6.556891 16.59070       8.131038 
1 1 1 2   14 59 o 72.20992 4.004483 265.2698       28.19327 279.4067       34.91957 238.8000       47.78231 73.44320 4.885252 65.39227 7.606914 8.050926       9.040510 
1 1 1 2   14 60 o 32.22148 6.414952 57.44941       19.52083 45.58671       26.32116 71.95003       29.10090 27.64016 8.711102 34.68538 8.611345 -7.045219      12.24902 
1 1 1 2   15 0  o 399.8858 7.569914 7839.070       296.3010 8110.494       429.0591 7591.613       409.6782 406.2614 10.79918 393.0625 10.65801 13.19885       15.17285 
1 1 1 2   15 1  o 306.6990 6.848883 4609.876       205.6072 4713.112       255.6962 4421.000       345.8584 309.8916 8.437476 299.7203 11.81210 10.17123       14.51609 
1 1 1 2   15 2  o 379.5007 8.319114 7062.778       309.0266 6936.077       373.8751 7336.000       549.0265 375.7578 10.17448 385.7012 14.56859 -9.943451      17.76974 
1 1 1 2   15 3  o 416.3164 7.857229 8497.927       320.1837 8715.334       460.6895 8294.787       445.3178 421.0687 11.18753 410.7933 11.08505 10.27536       15.74926 
1 1 1 2   15 4  o 568.6426 12.26173 15896.99       682.4915 15530.00       1161.251 16090.65       843.5569 559.1354 21.25664 571.2369 15.09986 -12.10150      26.07395 
1 1 1 2   15 5  o 363.1052 9.805510 6476.542       348.1859 6585.000       496.9979 6372.000       487.9452 365.4560 13.91899 359.4933 13.89288 5.962677       19.66597 
1 1 1 2   15 6  o 527.4950 11.39406 13674.75       588.3058 13790.00       1025.453 13618.21       718.2669 527.1104 19.91082 525.6723 13.97172 1.438110       24.32385 
1 1 1 2   15 7  o 473.9975 8.896092 11025.23       412.7448 11474.63       599.9689 10621.46       568.7037 482.7277 12.70862 464.4643 12.52056 18.26340       17.84022 
1 1 1 2   15 8  o 688.4020 12.81155 23330.16       863.2768 24238.16       1253.908 22511.95       1190.291 699.2913 18.33479 674.0411 18.05726 25.25018       25.73382 
1 1 1 2   15 9  o 320.2899 7.140011 5030.563       223.8455 4857.980       267.2747 5436.000       409.6580 314.4803 8.691104 332.0181 12.62833 -17.53784      15.33003 
1 1 1 2   15 10 o 285.1306 5.566777 3984.012       155.3652 4143.720       224.8790 3838.165       214.8998 290.4923 7.916132 279.5752 7.860722 10.91705       11.15599 
1 1 1 2   15 11 o 315.0233 6.079499 4864.922       187.4635 5207.619       277.5493 4577.432       254.2120 325.5320 8.718290 305.2145 8.517449 20.31757       12.18834 
1 1 1 2   15 12 o 327.7650 6.302446 5267.791       202.1985 5517.968       295.2961 5046.952       277.4420 335.0050 9.013531 320.4034 8.854937 14.60159       12.63541 
1 1 1 2   15 13 o 590.3058 11.04169 17162.85       637.9975 17184.53       902.3532 17141.18       902.1763 588.5884 15.67637 587.8365 15.69341 0.7518311      22.18178 
1 1 1 2   15 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 17 o 199.1013 6.050623 1946.976       117.7813 1892.000       163.6876 2006.000       169.6057 195.9201 8.556166 201.7382 8.608859 -5.818161      12.13756 
1 1 1 2   15 18 o 187.5709 5.845382 1728.046       107.1900 1574.000       143.7448 1921.000       160.8767 178.6855 8.240770 197.4217 8.343964 -18.73627      11.72740 
1 1 1 2   15 19 o 356.1273 9.745095 6260.521       339.3823 6088.000       470.8924 6447.000       489.5703 349.6914 13.78422 359.8057 13.92713 -10.11426      19.59514 
1 1 1 2   15 20 o 215.7815 6.422140 2289.093       135.4929 2165.000       185.2021 2432.000       198.7459 209.3760 9.058187 221.9096 9.169646 -12.53354      12.88927 
1 1 1 2   15 21 o 153.2993 7.521694 1159.000       112.5212 1159.000       112.5212 0.000000       0.000000 153.2993 7.521694 ?        ?        ?              ?        
1 1 1 2   15 22 o 245.6811 7.118469 2971.334       171.0040 3121.000       248.6409 2837.000       235.5613 251.0546 10.13894 239.3580 10.07679 11.69659       14.29475 
1 1 1 2   15 23 o 189.5833 5.937707 1767.231       110.0498 1734.000       153.9042 1802.000       157.4233 187.3527 8.413831 190.9923 8.441531 -3.639557      11.91856 
1 1 1 2   15 24 o 158.6042 7.681612 1242.000       118.8995 0.000000       0.000000 1242.000       118.8995 ?        ?        158.6042 7.681612 ?              ?        
1 1 1 2   15 25 o 145.6891 5.263828 1043.585       74.94120 959.6000       102.2646 1141.000       110.1385 139.3554 7.525052 152.0099 7.424665 -12.65453      10.57128 
1 1 1 2   15 26 o 145.5968 5.277129 1042.603       75.08215 1090.000       108.5976 999.2000       103.9211 148.5081 7.494974 142.1722 7.494100 6.335907       10.59888 
1 1 1 2   15 27 o 163.4783 5.521320 1315.073       88.22375 1216.000       119.9102 1432.000       130.2668 156.7565 7.839795 170.1405 7.843132 -13.38400      11.08950 
1 1 1 2   15 28 o 182.6789 5.877380 1643.876       104.9573 1771.000       155.3030 1537.000       142.3992 188.9857 8.416577 176.0688 8.285888 12.91692       11.81079 
1 1 1 2   15 29 o 154.3236 5.432079 1173.163       81.92695 1157.000       116.4557 1189.000       115.2777 152.7281 7.815960 154.8797 7.627506 -2.151627      10.92099 
1 1 1 2   15 30 o 114.7418 5.123363 649.1115       57.39660 678.0000       83.30126 623.0000       79.19631 116.8328 7.320976 111.9882 7.264007 4.844666       10.31322 
1 1 1 2   15 31 o 158.2859 3.613497 1230.060       55.98557 1241.046       63.74520 1193.000       117.0846 158.8668 4.102719 154.8252 7.750597 4.041534       8.769497 
1 1 1 2   15 32 o 127.2273 3.250126 795.0757       40.44185 815.5214       45.77847 722.4000       86.30872 128.7958 3.634861 120.3628 7.361024 8.433067       8.209560 
1 1 1 2   15 33 o 156.4587 3.598855 1203.185       55.11506 1230.622       63.10935 1115.000       113.1411 158.0843 4.081899 149.2649 7.770598 8.819412       8.777476 
1 1 1 2   15 34 f 112.2651 3.109136 619.5747       34.13284 600.6703       37.57516 708.8000       81.63263 110.4759 3.479115 119.0283 7.038018 -8.552330      7.850983 
1 1 1 2   15 35 o 116.2783 3.201420 665.1510       36.40273 671.1007       40.67360 641.2000       81.60711 116.7256 3.564095 112.8950 7.426177 3.830612       8.237164 
1 1 1 2   15 36 o 93.59406 3.094769 431.2380       28.31295 420.7393       30.77863 489.0000       72.19431 92.38870 3.409335 98.29549 7.561562 -5.906784      8.294624 
1 1 1 2   15 37 o 59.04386 3.600521 172.4800       20.70984 172.4800       20.70984 0.000000       0.000000 59.04386 3.600521 ?        ?        ?              ?        
1 1 1 2   15 38 o 85.59620 3.203281 361.3297       26.79099 359.9712       29.15579 368.7000       67.90923 85.37282 3.496382 84.67261 8.300216 0.7002106      9.006568 
1 1 1 2   15 39 f 159.8023 5.396052 1275.583       84.28339 1173.000       108.8743 1429.000       133.1448 151.9316 7.342748 167.0020 8.169888 -15.07042      10.98467 
1 1 1 2   15 40 o 56.66709 3.968741 159.6883       21.87437 142.5106       23.44186 275.4000       60.84124 53.38615 4.528671 72.61452 8.735095 -19.22837      9.839245 
1 1 1 2   15 41 o 39.34513 4.717091 78.13344       17.80478 74.10388       18.71877 116.4000       57.68439 38.19526 5.136931 45.21717 12.57699 -7.021912      13.58560 
1 1 1 2   15 42 o 158.1126 3.775891 1238.498       58.43756 1194.503       64.83521 1429.000       134.9148 154.9569 4.278677 165.8219 8.338878 -10.86491      9.372511 
1 1 1 2   15 43 o 82.36758 3.689954 337.1252       29.67423 337.1252       29.67423 0.000000       0.000000 82.36758 3.689954 ?        ?        ?              ?        
1 1 1 2   15 44 o 77.95313 6.018312 310.9746       45.56600 333.6000       62.55468 285.4000       66.50687 79.34186 8.171456 72.28518 9.639718 7.056679       12.63712 
1 1 1 2   15 45 o 38.72703 5.459795 77.43678       20.12286 72.22764       21.67730 109.9000       54.11504 37.11262 6.184843 42.71313 12.28638 -5.600517      13.75527 
1 1 1 2   15 46 o 67.80703 4.044873 230.6863       26.72437 237.1108       30.01352 206.1000       58.71460 68.55091 4.497831 60.23793 10.32959 8.312984       11.26636 
1 1 1 2   15 47 o 34.72371 5.976652 63.45468       19.58111 63.98671       21.24408 60.45000       50.48582 34.66555 6.499577 32.86192 12.02708 1.803627       13.67096 
1 1 1 2   15 48 o 44.92177 6.168417 105.8701       26.40749 105.8215       30.95903 106.0000       50.59484 44.28842 7.402598 41.60034 11.85264 2.688084       13.97439 
1 1 1 2   15 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   15 50 o 16.71977 7.356436 -2.227088      23.31606 1.130584       26.71239 -12.97000      47.78093 18.36611 7.981468 21.95151 10.01773 -3.585392      12.80854 
1 1 1 2   15 51 o 43.64756 4.946107 98.35783       20.75943 98.72968       22.84988 96.60000       49.68097 43.47520 5.491841 38.92823 11.91996 4.546963       13.12425 
1 1 1 2   15 52 f 12.46581 5.668916 -7.392027      15.13139 -14.86846      18.89378 5.979724       25.26770 12.98123 6.055400 18.65370 7.927927 -5.672472      9.975966 
1 1 1 2   15 53 o 18.25890 6.740263 15.13120       15.91179 10.88195       19.67493 23.16480       27.05283 18.07740 7.267447 22.53747 8.683066 -4.460077      11.32305 
1 1 1 2   15 54 o 19.01327 6.871470 17.30138       16.40778 15.82535       20.78715 19.74086       26.72372 19.53700 7.588498 21.66982 8.548618 -2.132828      11.43084 
1 1 1 2   15 55 o 38.36609 5.026338 76.76028       18.42229 94.29888       23.89535 51.06040       28.92554 42.08923 5.967199 29.51501 9.105951 12.57421       10.88696 
1 1 1 2   15 56 o 23.42482 7.063641 30.22110       17.53713 30.32060       22.85610 30.07866       27.34593 23.69806 8.148671 24.06488 8.844332 -0.3668156     12.02593 
1 1 1 2   15 57 o 35.55256 5.646445 67.29806       18.99335 82.48408       25.33335 47.80445       28.70230 38.69915 6.942920 28.53063 9.109352 10.16853       11.45358 
1 1 1 2   15 58 o 44.57007 5.211059 104.1917       22.30538 116.6928       27.32211 79.21000       38.62357 46.62428 6.135578 35.41920 10.43552 11.20508       12.10559 
1 1 1 2   15 59 o 16.00105 6.744843 4.934655       18.04083 10.94001       24.69602 -1.937431      26.41813 19.14444 7.968048 17.38198 7.729893 1.762453       11.10140 
1 1 1 2   15 60 f 38.35411 5.522803 78.69723       20.13687 105.1588       27.72231 49.14061       29.29871 43.61341 6.708489 28.40626 9.215991 15.20715       11.39905 
1 1 1 2   16 0  o 213.3551 6.221021 2232.678       129.7797 2232.678       129.7797 0.000000       0.000000 213.3551 6.221021 ?        ?        ?              ?        
1 1 1 2   16 1  o 357.5563 6.826253 6267.043       238.9093 6237.215       336.2733 6297.445       339.4872 356.2896 9.651240 358.0004 9.696919 -1.710754      13.68125 
1 1 1 2   16 2  o 109.0117 3.163319 582.2899       33.71807 558.9073       46.69069 607.7750       48.74471 106.7329 4.479113 111.3089 4.483127 -4.575920      6.337261 
1 1 1 2   16 3  o 323.4255 8.837807 5137.544       279.5232 5535.000       414.8285 4807.000       378.3025 335.1008 12.66980 312.3017 12.40003 22.79913       17.72808 
1 1 1 2   16 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 5  o 193.4450 4.084280 1832.601       77.33558 1822.251       108.8777 1843.141       109.8670 192.7503 5.777345 193.8516 5.796688 -1.101288      8.184089 
1 1 1 2   16 6  o 136.4701 3.338862 911.8958       44.60077 909.4391       62.78242 914.3988       63.37173 136.1745 4.717288 136.5439 4.748744 -0.3693542     6.693533 
1 1 1 2   16 7  o 510.2998 9.562106 12793.39       477.6229 13458.32       699.4936 12212.58       653.7463 522.1723 13.69742 497.4813 13.43768 24.69098       19.18829 
1 1 1 2   16 8  o 209.0557 4.318514 2140.707       88.36953 2180.212       126.4506 2102.996       123.5467 210.7989 6.134917 207.0319 6.103265 3.767044       8.653729 
1 1 1 2   16 9  o 526.1501 9.848122 13610.00       507.1884 14013.11       732.3698 13238.50       703.0724 532.4586 14.06432 517.5854 13.89007 14.87317       19.76713 
1 1 1 2   16 10 o 196.0267 4.114863 1882.225       78.95450 2014.215       116.2428 1769.181       107.5771 202.6110 5.867517 189.8827 5.794778 12.72832       8.246649 
1 1 1 2   16 11 o 325.3217 6.258305 5190.497       199.2856 5377.861       288.7275 5020.021       275.4088 330.6656 8.928750 319.4870 8.815230 11.17856       12.54715 
1 1 1 2   16 12 o 176.9156 4.360608 1533.499       75.51260 1589.304       95.61514 1441.000       123.1007 179.9699 5.433982 171.1669 7.364643 8.803009       9.152384 
1 1 1 2   16 13 o 233.2957 4.697109 2667.376       107.2614 2730.006       154.2383 2608.720       149.2651 235.7587 6.690485 230.4662 6.623622 5.292542       9.414615 
1 1 1 2   16 14 o 166.4431 4.276821 1358.387       69.61984 1380.000       124.7120 1348.602       83.91207 167.4225 7.630116 165.7695 5.177813 1.652985       9.221086 
1 1 1 2   16 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 17 o 191.7068 5.909181 1805.382       110.7521 1703.000       151.4700 1923.000       162.3497 185.8381 8.348261 197.4875 8.417884 -11.64948      11.85556 
1 1 1 2   16 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   16 19 o 166.7105 5.543749 1365.492       90.33756 1441.000       130.0090 1295.000       125.6173 170.9454 7.790277 162.0104 7.945610 8.934982       11.12749 
1 1 1 2   16 20 o 202.0335 8.741098 2016.000       172.4514 2016.000       172.4514 0.000000       0.000000 202.0335 8.741098 ?        ?        ?              ?        
1 1 1 2   16 21 o 241.6683 7.034308 2875.019       166.2206 3081.000       244.8709 2699.000       226.3616 249.4397 10.04976 233.4721 9.927821 15.96758       14.12654 
1 1 1 2   16 22 o 185.1964 5.878508 1686.400       106.4279 1717.000       152.0390 1657.000       149.0297 186.4333 8.352755 183.1440 8.335157 3.289276       11.80014 
1 1 1 2   16 23 o 274.8733 11.12109 3755.000       298.5990 0.000000       0.000000 3755.000       298.5990 ?        ?        274.8733 11.12109 ?              ?        
1 1 1 2   16 24 o 151.8261 5.342819 1133.443       79.27671 1208.000       116.4305 1069.000       108.2449 156.3744 7.629705 147.0965 7.543131 9.277863       10.72899 
1 1 1 2   16 25 o 248.1482 7.208432 3036.808       174.9031 3262.000       258.9927 2848.000       237.1490 256.1683 10.35026 239.4082 10.14288 16.76012       14.49158 
1 1 1 2   16 26 o 140.5232 5.262210 971.5764       72.25278 916.5000       98.76160 1035.000       105.9818 136.1122 7.441147 144.6543 7.510757 -8.542038      10.57271 
1 1 1 2   16 27 o 99.62342 5.268461 489.2234       51.19231 583.1000       75.80066 410.5000       69.41393 108.4771 7.179249 90.80383 7.887914 17.67325       10.66587 
1 1 1 2   16 28 f 178.3001 5.828490 1566.964       101.5851 1553.000       143.4790 1581.000       143.8476 176.8593 8.311336 178.4664 8.256932 -1.607071      11.71560 
1 1 1 2   16 29 o 58.46614 6.835158 171.1206       38.37912 173.7000       55.15938 168.7000       53.43427 58.19838 10.04580 57.37733 9.870070 0.8210411      14.08319 
1 1 1 2   16 30 o 238.9138 7.041224 2828.898       164.4832 2947.000       238.6315 2722.000       227.0305 242.2765 10.08465 232.8882 9.982500 9.388367       14.18980 
1 1 1 2   16 31 o 203.9318 6.306517 2059.622       125.7357 2222.000       186.0087 1923.000       170.6205 210.5292 9.047517 195.8917 8.921757 14.63748       12.70651 
1 1 1 2   16 32 o 110.7997 5.147953 607.2449       55.67888 727.0000       83.46015 511.2000       74.74276 120.7034 7.095342 100.9889 7.617328 19.71442       10.40997 
1 1 1 2   16 33 o 125.8841 5.194057 784.6425       63.86311 672.1000       85.71125 925.1000       95.75292 115.7123 7.609729 135.9918 7.219248 -20.27945      10.48930 
1 1 1 2   16 34 o 136.4174 5.280014 922.8846       70.37045 854.2000       96.18272 1002.000       103.2281 130.3319 7.572063 141.2278 7.494262 -10.89586      10.65364 
1 1 1 2   16 35 o 49.12325 7.823169 124.3130       36.35586 90.56000       49.17560 165.0000       53.99103 41.07311 11.67954 55.90208 10.24446 -14.82896      15.53579 
1 1 1 2   16 36 o 35.65145 3.754042 63.36506       12.90395 63.36506       12.90395 0.000000       0.000000 35.65145 3.754042 ?        ?        ?              ?        
1 1 1 2   16 37 o 161.0150 4.431935 1284.805       69.78349 1203.974       80.84715 1521.000       138.2010 155.4371 5.321630 172.6524 8.201167 -17.21529      9.776445 
1 1 1 2   16 38 o 47.24394 3.554703 110.7546       16.31769 97.86170       17.01802 257.8000       57.47242 44.31542 3.965122 70.47893 8.502540 -26.16351      9.381651 
1 1 1 2   16 39 o 83.29064 3.377810 342.8247       27.48120 333.5239       29.99701 391.4000       68.55253 82.06062 3.744406 87.07613 8.137235 -5.015511      8.957409 
1 1 1 2   16 40 o 52.23221 3.528485 135.3963       17.93398 131.7267       18.81618 171.8000       59.26429 51.46769 3.760962 55.81848 11.23627 -4.350788      11.84899 
1 1 1 2   16 41 o 87.80534 3.162575 380.9494       27.13676 354.3407       28.93306 575.5000       78.23462 84.58768 3.502042 105.6834 7.613896 -21.09569      8.380674 
1 1 1 2   16 42 o 134.4328 4.102640 899.3930       53.92204 873.8139       62.45369 974.3000       106.8751 132.0781 4.839003 136.7921 8.017102 -4.714005      9.364287 
1 1 1 2   16 43 o 14.78112 6.171893 3.016041       14.88703 -1.685639      15.41426 68.24000       57.41162 13.91733 6.055405 35.42730 12.84665 -21.50997      14.20227 
1 1 1 2   16 44 o 49.37577 4.143080 122.6069       19.83917 122.6069       19.83917 0.000000       0.000000 49.37577 4.143080 ?        ?        ?              ?        
1 1 1 2   16 45 o 77.98109 3.303997 302.3641       25.16227 312.6503       27.46401 248.6000       62.78915 79.20258 3.551604 66.67683 9.922517 12.52576       10.53899 
1 1 1 2   16 46 o 34.57742 5.227790 61.92425       17.14180 58.74204       18.17148 87.64000       51.65659 33.47252 5.753531 38.01752 12.22892 -4.544994      13.51479 
1 1 1 2   16 47 o 14.88407 6.214584 3.523425       15.09262 7.717196       15.95255 -32.26000      46.59814 16.29483 6.546338 20.10113 9.419865 -3.806297      11.47120 
1 1 1 2   16 48 o 30.61867 6.036522 49.89145       17.44836 49.89145       17.44836 0.000000       0.000000 30.61867 6.036522 ?        ?        ?              ?        
1 1 1 2   16 49 o 29.46383 6.756153 47.24153       19.06847 55.04069       20.68055 2.986000       49.26312 31.81656 6.843814 23.96958 10.61307 7.846975       12.62835 
1 1 1 2   16 50 o 58.69241 4.948470 176.8008       28.16426 193.6000       33.05557 132.3000       53.80022 61.05068 5.593667 45.84845 11.88949 15.20222       13.13960 
1 1 1 2   16 51 o 23.49906 7.802331 29.72043       20.94988 41.27000       23.57491 -13.65000      45.68399 27.04988 8.196935 21.19037 9.717373 5.859514       12.71287 
1 1 1 2   16 52 o 39.46368 5.186069 81.32103       19.54848 65.87000       26.53008 99.67496       28.91508 34.00874 8.088315 42.62968 7.184751 -8.620937      10.81857 
1 1 1 2   16 53 o 37.60424 8.264449 80.63709       29.58827 0.000000       0.000000 80.63709       29.58827 ?        ?        37.60424 8.264449 ?              ?        
1 1 1 2   16 54 o 16.88028 7.198900 3.831780       20.95954 0.6811000E-01  33.94204 6.151481       26.64699 19.92385 8.816196 18.98516 8.107407 0.9386845      11.97728 
1 1 1 2   16 55 o 42.23007 5.764030 94.50568       23.20495 112.4000       37.98947 83.85550       29.30787 43.78899 9.158174 38.40577 8.053850 5.383224       12.19576 
1 1 1 2   16 56 o 39.68027 6.192725 84.74640       23.26742 84.46000       37.77410 84.92150       29.53558 36.99230 10.13454 38.55849 8.084400 -1.566193      12.96405 
1 1 1 2   16 57 o 24.96780 8.002199 35.05062       22.13338 22.18000       36.15258 42.76690       27.99261 23.61518 9.716828 27.18950 9.018651 -3.574324      13.25718 
1 1 1 2   16 58 o 18.04075 7.442323 9.607327       21.28082 36.55000       35.53951 -5.452981      26.57101 25.96592 9.965607 16.95343 7.629579 9.012484       12.55085 
1 1 1 2   16 59 o 47.13717 7.125575 124.0757       31.85168 98.46000       41.29470 161.7000       50.04664 38.98238 10.56204 50.58940 10.45263 -11.60702      14.85982 
1 1 1 2   17 0  o 263.1461 5.208291 3392.943       134.1524 3387.614       189.2568 3398.324       190.1869 262.6837 7.367859 263.0963 7.392485 -0.4125366     10.43715 
1 1 1 2   17 1  o 318.0577 7.101643 4961.729       221.0910 5125.515       276.7850 4673.000       367.4926 322.9636 8.763634 307.7718 12.22301 15.19186       15.04006 
1 1 1 2   17 2  o 430.5113 11.53739 9129.925       485.7433 9450.000       703.3098 8838.000       671.6713 436.5346 16.48934 422.2117 16.28303 14.32297       23.17402 
1 1 1 2   17 3  o 409.5635 11.01338 8259.636       441.1169 0.000000       0.000000 8259.636       441.1169 ?        ?        409.5635 11.01338 ?              ?        
1 1 1 2   17 4  o 212.0435 4.375574 2202.442       90.81680 2166.642       127.0225 2239.879       129.8944 210.1315 6.182380 213.6533 6.217802 -3.521805      8.768289 
1 1 1 2   17 5  o 250.7464 4.999993 3080.740       122.7186 3311.662       181.3596 2885.711       166.6701 259.7186 7.140745 242.4399 7.030828 17.27876       10.02112 
1 1 1 2   17 6  o 90.74355 3.125152 403.6712       27.71688 365.9442       38.13752 445.9052       40.35128 86.30928 4.530143 95.30971 4.336640 -9.000427      6.271255 
1 1 1 2   17 7  o 222.2871 4.531193 2420.791       98.59003 2393.868       138.5312 2448.422       140.3411 220.8395 6.415421 223.3427 6.426266 -2.503174      9.080447 
1 1 1 2   17 8  o 446.1348 8.405184 9777.916       367.0452 9917.798       524.3414 9643.511       513.9742 448.2953 11.96002 442.0702 11.88881 6.225098       16.86374 
1 1 1 2   17 9  o 326.6615 7.291774 5238.154       233.1511 4868.395       270.5222 6306.000       459.7244 314.5854 8.793960 356.9661 13.17985 -42.38068      15.84431 
1 1 1 2   17 10 o 234.1204 4.718260 2686.183       108.1253 2824.159       157.7112 2563.809       148.5264 239.7992 6.725705 228.4791 6.648336 11.32007       9.457034 
1 1 1 2   17 11 o 63.38538 4.012016 197.6203       24.76417 188.6258       28.63589 224.3000       49.31870 61.85403 4.766470 67.14490 7.639695 -5.290867      9.004675 
1 1 1 2   17 12 o 169.1035 3.706029 1400.832       61.34338 1417.972       87.40033 1384.191       86.11913 169.9738 5.259539 167.9363 5.245437 2.037506       7.428146 
1 1 1 2   17 13 o 151.3648 3.935086 1123.303       58.25280 1149.819       73.65027 1079.000       95.20046 153.0661 4.922141 148.1082 6.583251 4.957932       8.219894 
1 1 1 2   17 14 o 259.1598 5.951960 3295.803       150.9850 3249.000       260.5912 3319.455       185.2469 256.4116 10.40444 259.8152 7.291381 -3.403564      12.70499 
1 1 1 2   17 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 17 o 204.6546 6.196224 2058.727       123.9808 1906.000       167.4581 2244.000       184.4400 196.4866 8.728755 213.2024 8.857348 -16.71577      12.43559 
1 1 1 2   17 18 o 130.7231 7.068130 842.7000       90.10413 842.7000       90.10413 0.000000       0.000000 130.7231 7.068130 ?        ?        ?              ?        
1 1 1 2   17 19 o 189.3858 8.395320 1771.000       155.2423 1771.000       155.2423 0.000000       0.000000 189.3858 8.395320 ?        ?        ?              ?        
1 1 1 2   17 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   17 21 o 84.72478 7.683222 356.4000       63.02563 0.000000       0.000000 356.4000       63.02563 ?        ?        84.72478 7.683222 ?              ?        
1 1 1 2   17 22 o 284.6250 11.47417 4031.000       319.0138 0.000000       0.000000 4031.000       319.0138 ?        ?        284.6250 11.47417 ?              ?        
1 1 1 2   17 23 o 100.1196 5.118018 493.4484       49.99007 525.8000       72.41809 464.0000       69.09238 103.0703 7.223803 96.77298 7.349015 6.297310       10.30492 
1 1 1 2   17 24 o 165.4359 5.562375 1346.516       89.94524 1349.000       126.8001 1344.000       127.6073 165.1588 7.866140 164.8374 7.932137 0.3214417      11.17117 
1 1 1 2   17 25 f 219.1698 6.593155 2367.817       141.2817 2736.000       217.9546 2101.000       185.5415 234.7231 9.506124 205.7256 9.237527 28.99748       13.25512 
1 1 1 2   17 26 o 386.1433 10.63515 7435.778       401.5914 7891.000       591.7041 7047.000       546.8198 393.8381 15.37858 372.4694 15.02935 21.36871       21.50307 
1 1 1 2   17 27 o 55.63885 7.432761 155.6367       39.46777 192.0000       56.30087 120.5000       55.34316 61.41050 9.686979 48.08556 11.83863 13.32494       15.29676 
1 1 1 2   17 28 o 148.3333 5.394614 1084.687       78.19543 1143.000       112.9425 1031.000       108.3693 151.7325 7.629009 144.0650 7.713073 7.667542       10.84865 
1 1 1 2   17 29 o 145.1128 5.327894 1038.927       75.54916 1029.000       106.4536 1049.000       107.2360 143.8260 7.588505 145.2263 7.569914 -1.400360      10.71863 
1 1 1 2   17 30 o 130.9914 5.224822 847.3691       66.85719 827.6000       93.78172 867.8000       95.33819 128.8509 7.467743 131.9711 7.410197 -3.120209      10.52037 
1 1 1 2   17 31 o 191.3205 6.082069 1814.331       113.7541 1968.000       168.2707 1685.000       154.3716 197.9711 8.704898 183.1958 8.633147 14.77524       12.25995 
1 1 1 2   17 32 o 135.1413 5.269269 904.2803       69.56833 959.5000       101.2512 854.9000       95.74819 138.4019 7.502026 130.6108 7.521174 7.791092       10.62302 
1 1 1 2   17 33 o 46.74493 8.385412 113.1431       36.95799 112.6000       51.94332 113.7000       52.59578 45.83058 11.57717 46.03763 11.66074 -0.2070503     16.43179 
1 1 1 2   17 34 o 125.5525 5.283004 783.0776       64.77997 687.7000       86.51379 904.8000       97.73442 116.7081 7.614762 133.9991 7.481128 -17.29099      10.67482 
1 1 1 2   17 35 o 91.34241 7.722761 424.3000       68.40163 424.3000       68.40163 0.000000       0.000000 91.34241 7.722761 ?        ?        ?              ?        
1 1 1 2   17 36 o 35.34561 10.04373 66.65796       36.37831 78.57000       50.32376 53.62000       52.64835 38.32116 12.04060 33.78331 12.29466 4.537849       17.20856 
1 1 1 2   17 37 o 60.86226 10.37336 198.2000       59.58390 0.000000       0.000000 198.2000       59.58390 ?        ?        60.86226 10.37336 ?              ?        
1 1 1 2   17 38 o 42.66687 9.742682 98.39105       39.79218 78.47000       55.67112 119.2000       56.89823 38.20457 12.71985 46.08961 12.35931 -7.885036      17.73547 
1 1 1 2   17 39 o 99.79852 5.528569 500.0562       53.79509 498.4000       74.11710 501.9000       78.20269 98.44957 7.753821 98.52998 8.182388 -0.8040619E-01 11.27268 
1 1 1 2   17 40 o 88.71100 5.702322 396.9263       49.25261 399.4000       67.44612 394.1000       72.09329 87.79312 7.934111 86.79125 8.599120 1.001869       11.70021 
1 1 1 2   17 41 o 78.64733 6.066263 314.5267       46.33876 313.9000       62.35181 315.3000       69.25649 77.28893 8.375566 76.79422 9.409931 0.4947052      12.59750 
1 1 1 2   17 42 o 59.28575 7.537233 184.4381       42.75156 203.2000       57.47464 161.2000       63.96440 60.81348 10.00288 52.36513 12.62716 8.448357       16.10909 
1 1 1 2   17 43 o 48.79002 3.445105 118.6797       16.34700 118.6797       16.34700 0.000000       0.000000 48.79002 3.445105 ?        ?        ?              ?        
1 1 1 2   17 44 o 64.99714 3.141056 209.8404       19.92455 198.4080       20.95018 318.1000       64.46932 63.11663 3.403669 76.59707 8.755864 -13.48043      9.394154 
1 1 1 2   17 45 o 56.42174 3.562889 159.0997       19.57634 159.0997       19.57634 0.000000       0.000000 56.42174 3.562889 ?        ?        ?              ?        
1 1 1 2   17 46 o 23.11754 6.031638 28.52615       13.78993 30.46531       14.36774 5.861000       49.12032 23.86598 6.121326 24.54980 10.74310 -0.6838245     12.36466 
1 1 1 2   17 47 o 28.69121 5.655841 43.51309       15.31883 43.51309       15.31883 0.000000       0.000000 28.69121 5.655841 ?        ?        ?              ?        
1 1 1 2   17 48 f 30.68248 5.259150 49.27508       15.22663 49.42844       16.04175 47.88000       48.38287 30.62325 5.556294 30.15280 11.61343 0.4704590      12.87417 
1 1 1 2   17 49 f 31.48214 5.799888 52.59663       17.21435 49.16821       18.33622 78.07000       49.98111 30.18036 6.405386 35.46590 12.05375 -5.285540      13.64998 
1 1 1 2   17 50 o 53.53962 3.639922 144.2783       18.96197 142.8957       20.33386 153.5000       52.51345 53.15794 3.935838 50.14175 11.00238 3.016193       11.68517 
1 1 1 2   17 51 o 21.67604 6.924500 25.12834       16.58340 28.03504       17.84569 6.735000       44.89144 22.74704 7.173279 23.21853 10.21196 -0.4714870     12.47959 
1 1 1 2   17 52 o 37.28284 4.648813 71.80776       16.59756 82.81889       20.38049 50.12339       28.60041 39.74325 5.376745 29.36316 9.053844 10.38008       10.53003 
1 1 1 2   17 53 o 22.21749 6.764983 26.84877       16.03135 36.31110       19.51834 7.230908       28.10410 25.48540 7.393364 19.55023 8.336752 5.935175       11.14286 
1 1 1 2   17 54 o 12.78373 5.791263 -6.665155      15.60740 6.390659       19.08353 -33.03780      27.12274 16.79882 6.999071 14.05130 6.753236 2.747519       9.725903 
1 1 1 2   17 55 o 35.69228 5.189450 66.92179       17.59944 60.71162       22.13480 77.59570       29.01923 33.06003 7.055161 36.74455 8.268767 -3.684517      10.86958 
1 1 1 2   17 56 o 46.62880 5.152283 113.5760       23.12408 144.5000       35.06379 89.77481       30.76170 51.23959 7.188578 39.54389 8.216068 11.69570       10.91693 
1 1 1 2   17 57 o 33.73079 5.651947 60.91855       18.00127 87.91187       23.42558 21.99287       28.13069 40.38133 6.117984 22.17966 8.764217 18.20167       10.68837 
1 1 1 2   17 58 o 25.14881 7.570884 36.14754       20.15841 42.31915       22.61207 12.25000       44.49564 26.97164 7.994553 23.22073 10.19138 3.750906       12.95288 
1 1 1 2   17 59 o 21.00328 7.069334 23.89311       17.19010 28.22830       22.62437 17.97226       26.44015 22.74675 8.086822 20.83955 8.408245 1.907202       11.66599 
1 1 1 2   18 0  f 441.6065 11.85139 9621.911       511.8209 9621.911       511.8209 0.000000       0.000000 441.6065 11.85139 ?        ?        ?              ?        
1 1 1 2   18 1  o 513.5787 13.71476 13046.68       688.8309 0.000000       0.000000 13046.68       688.8309 ?        ?        513.5787 13.71476 ?              ?        
1 1 1 2   18 2  o 357.0468 7.891347 6259.990       275.7925 6381.884       342.1801 6034.000       465.9176 360.0681 9.717646 349.1265 13.66026 10.94165       16.76411 
1 1 1 2   18 3  o 249.3070 5.763674 3047.409       140.6501 3161.000       176.0539 2847.000       233.8480 253.6942 7.096690 240.3357 9.962119 13.35852       12.23139 
1 1 1 2   18 4  o 248.2922 4.970309 3021.352       120.7960 2930.158       167.3397 3120.574       174.5511 244.2507 7.006579 252.0589 7.081823 -7.808182      9.962147 
1 1 1 2   18 5  o 117.8624 3.212243 680.7797       37.02413 634.4044       51.13228 731.8927       53.68069 113.6909 4.604288 122.1349 4.497950 -8.443954      6.436693 
1 1 1 2   18 6  o 182.0151 3.931711 1622.897       70.04792 1569.877       97.22720 1680.118       101.0063 178.8490 5.560617 185.0259 5.583506 -6.176880      7.880102 
1 1 1 2   18 7  o 253.5426 5.046185 3151.106       125.2335 3224.532       179.6002 3081.620       174.7146 256.1748 7.169542 250.4340 7.134648 5.740860       10.11462 
1 1 1 2   18 8  o 110.2866 3.136352 596.1401       33.82301 633.3950       49.07412 562.4295       46.68144 113.6049 4.421598 107.0384 4.465326 6.566467       6.284081 
1 1 1 2   18 9  f 239.9564 4.821861 2822.440       113.2539 2878.796       161.9632 2768.518       158.4259 242.0515 6.842870 237.3687 6.825707 4.682770       9.665151 
1 1 1 2   18 10 o 288.4431 5.634085 4081.029       159.0705 4344.684       234.4005 3855.950       216.5748 297.1580 8.066158 279.9616 7.911136 17.19635       11.29818 
1 1 1 2   18 11 o 137.5106 3.339959 926.1967       44.95557 1014.863       66.52470 851.6726       60.98896 143.8058 4.732519 131.7233 4.737950 12.08246       6.696634 
1 1 1 2   18 12 o 144.8714 4.655612 1029.925       65.93280 1124.000       98.40884 953.3000       88.81377 151.1444 6.668162 139.1863 6.537216 11.95810       9.338072 
1 1 1 2   18 13 o 141.1498 3.365996 975.9569       46.50504 1042.209       68.34758 918.8414       63.46015 145.7153 4.798487 136.8142 4.745935 8.901123       6.749028 
1 1 1 2   18 14 o 268.5110 7.497552 3548.202       196.8623 3865.000       297.6944 3302.000       262.4373 279.4012 10.90615 258.3561 10.39894 21.04507       15.06924 
1 1 1 2   18 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   18 16 o 181.4390 5.758337 1617.792       102.1371 1713.000       148.3545 1532.000       140.8267 186.3289 8.153932 176.1845 8.188430 10.14442       11.55582 
1 1 1 2   18 17 o 95.09927 7.066209 447.2000       65.30634 447.2000       65.30634 0.000000       0.000000 95.09927 7.066209 ?        ?        ?              ?        
1 1 1 2   18 18 o 145.8138 7.382200 1049.000       105.0208 1049.000       105.0208 0.000000       0.000000 145.8138 7.382200 ?        ?        ?              ?        
1 1 1 2   18 19 o 229.5912 6.775826 2594.667       152.1067 2412.000       205.5017 2816.000       226.2088 220.7307 9.533923 238.4823 9.710832 -17.75162      13.60867 
1 1 1 2   18 20 o 249.8420 10.28994 3096.000       251.1043 0.000000       0.000000 3096.000       251.1043 ?        ?        249.8420 10.28994 ?              ?        
1 1 1 2   18 21 o 253.7827 10.43575 3198.000       258.6810 0.000000       0.000000 3198.000       258.6810 ?        ?        253.7827 10.43575 ?              ?        
1 1 1 2   18 22 o 191.3485 6.010524 1802.000       112.4358 1919.000       165.1860 1701.000       153.4755 196.9041 8.591299 185.3881 8.480136 11.51601       12.07158 
1 1 1 2   18 23 o 227.7460 6.774412 2556.594       150.8501 2688.000       220.0060 2440.000       207.2349 232.6812 9.680924 221.7046 9.572081 10.97652       13.61415 
1 1 1 2   18 24 f 201.3742 6.216078 1998.012       122.3788 2000.000       172.5560 1996.000       173.5881 200.8028 8.800556 200.5825 8.863280 0.2203064      12.49030 
1 1 1 2   18 25 o 148.4285 5.417016 1084.874       78.56963 1091.000       112.3003 1079.000       109.9650 148.3723 7.759499 147.5804 7.638358 0.7919464      10.88827 
1 1 1 2   18 26 o 224.9115 6.749271 2498.663       148.4168 2690.000       219.6829 2338.000       201.3053 232.2545 9.684560 216.5682 9.519559 15.68633       13.57986 
1 1 1 2   18 27 o 158.4629 5.526924 1238.273       85.59570 1367.000       127.6152 1133.000       115.4049 165.8716 7.882581 150.9892 7.835386 14.88240       11.11433 
1 1 1 2   18 28 o 84.87468 5.554087 356.6640       45.88856 368.4000       65.87421 345.6000       63.96055 85.76199 7.937227 83.03637 7.966954 2.725624       11.24597 
1 1 1 2   18 29 o 91.78801 5.368560 417.0010       48.02307 398.7000       65.84411 437.8000       70.19416 89.23809 7.610636 93.50567 7.738555 -4.267578      10.85389 
1 1 1 2   18 30 o 121.3874 5.237571 728.7901       62.08497 794.6000       90.10307 669.3000       85.66759 126.1382 7.329282 115.6394 7.610714 10.49877       10.56605 
1 1 1 2   18 31 o 91.94949 5.428387 419.6729       48.63956 370.0000       67.84582 472.2000       69.76788 85.53374 8.204094 96.98737 7.405090 -11.45363      11.05181 
1 1 1 2   18 32 o 125.1058 5.246758 776.1599       64.10760 843.2000       93.17715 715.9000       88.33981 129.5923 7.376005 119.2816 7.605804 10.31069       10.59499 
1 1 1 2   18 33 o 33.74240 10.04647 59.40664       35.64534 36.57000       49.07012 84.92000       51.86625 30.63316 11.72177 39.98156 12.16697 -9.348392      16.89482 
1 1 1 2   18 34 o 111.1513 7.585021 626.1000       82.02895 626.1000       82.02895 0.000000       0.000000 111.1513 7.585021 ?        ?        ?              ?        
1 1 1 2   18 35 o 111.1047 5.366582 615.7527       58.19022 678.1000       84.61194 559.8000       80.15556 115.5777 7.519965 104.7893 7.872220 10.78842       10.88677 
1 1 1 2   18 36 o 104.1185 7.797393 554.1000       78.88921 0.000000       0.000000 554.1000       78.88921 ?        ?        104.1185 7.797393 ?              ?        
1 1 1 2   18 37 o 65.27009 6.955516 217.7157       43.75372 148.0000       60.05221 296.6000       63.87915 51.50816 12.11526 75.39378 8.822654 -23.88562      14.98729 
1 1 1 2   18 38 o 39.76654 10.17631 86.35876       39.77065 85.48000       55.16220 87.31000       57.39247 39.39956 12.63354 39.79414 12.89775 -0.3945847     18.05431 
1 1 1 2   18 39 o 84.21156 5.989727 358.8298       49.05021 349.1000       66.04197 370.8000       73.25187 81.80815 8.365033 83.89565 9.063896 -2.087494      12.33402 
1 1 1 2   18 40 o 44.14683 9.516712 106.2731       39.91130 174.0000       53.84484 23.69000       59.45785 56.48581 10.10987 29.60691 12.34630 26.87890       15.95747 
1 1 1 2   18 41 o 45.36963 9.437814 112.9456       40.54553 60.97000       52.18631 192.1000       64.40124 34.02223 12.26014 58.03666 11.74042 -24.01442      16.97493 
1 1 1 2   18 42 o 105.6072 5.599782 566.5994       57.67874 563.0000       77.76828 571.0000       85.99012 103.5842 7.725772 103.5401 8.561094 0.4411316E-01  11.53169 
1 1 1 2   18 43 o 55.67528 7.542490 164.8804       40.04776 233.8000       54.16750 81.79000       59.47618 65.68103 8.634342 37.20929 13.12280 28.47174       15.70859 
1 1 1 2   18 44 o 32.63794 9.925329 60.47131       34.52320 44.98000       45.49570 81.50000       53.00690 29.88835 11.32239 36.92172 12.41374 -7.033369      16.80171 
1 1 1 2   18 45 o 50.16257 7.864534 136.2988       37.34692 100.7000       50.10548 180.8000       56.02131 40.67047 11.85944 55.87663 10.63108 -15.20616      15.92690 
1 1 1 2   18 46 o 31.34324 12.05643 51.97000       52.09733 51.97000       52.09733 0.000000       0.000000 31.34324 12.05643 ?        ?        ?              ?        
1 1 1 2   18 47 o 67.48870 6.366947 239.0062       41.56285 275.1000       60.37878 206.5000       57.29953 70.22821 8.989324 59.76373 10.15826 10.46449       13.56459 
1 1 1 2   18 48 o 45.03940 11.76171 126.6000       52.40575 0.000000       0.000000 126.6000       52.40575 ?        ?        45.03940 11.76171 ?              ?        
1 1 1 2   18 49 o 35.45480 9.670990 74.28278       34.48453 59.52000       46.92314 91.62000       50.85020 31.75464 11.59920 37.82634 12.12978 -6.071703      16.78312 
1 1 1 2   18 50 o 30.93250 9.355083 56.22168       30.72846 42.34000       41.28699 73.46000       46.00865 28.08639 10.75085 34.18854 11.56535 -6.102154      15.79045 
1 1 1 2   18 51 o 23.43908 10.17888 11.19000       43.38243 0.000000       0.000000 11.19000       43.38243 ?        ?        23.43908 10.17888 ?              ?        
1 1 1 2   18 52 o 22.09801 8.600745 21.74441       26.74520 0.000000       0.000000 21.74441       26.74520 ?        ?        22.09801 8.600745 ?              ?        
1 1 1 2   18 53 o 21.09282 8.582698 16.11469       27.81642 0.000000       0.000000 16.11469       27.81642 ?        ?        21.09282 8.582698 ?              ?        
1 1 1 2   18 54 o 25.28828 9.016570 34.97308       28.14505 0.000000       0.000000 34.97308       28.14505 ?        ?        25.28828 9.016570 ?              ?        
1 1 1 2   18 55 o 25.05702 9.026561 34.28915       28.28584 0.000000       0.000000 34.28915       28.28584 ?        ?        25.05702 9.026561 ?              ?        
1 1 1 2   18 56 o 27.87048 9.121264 45.51868       28.66753 0.000000       0.000000 45.51868       28.66753 ?        ?        27.87048 9.121264 ?              ?        
1 1 1 2   18 57 o 30.62441 11.39577 59.48000       45.64903 0.000000       0.000000 59.48000       45.64903 ?        ?        30.62441 11.39577 ?              ?        
1 1 1 2   18 58 o 32.37004 8.629887 63.04238       27.84104 0.000000       0.000000 63.04238       27.84104 ?        ?        32.37004 8.629887 ?              ?        
1 1 1 2   19 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19 1  o 399.7310 8.771542 7859.249       343.2021 7710.746       414.9120 8181.000       610.7300 395.3051 10.73296 405.4478 15.41701 -10.14273      18.78511 
1 1 1 2   19 2  o 350.0577 6.712036 6015.023       229.9854 6331.723       336.7137 5738.063       314.8798 358.4760 9.604750 341.2853 9.434913 17.19064       13.46361 
1 1 1 2   19 3  o 230.3206 6.644721 2605.987       149.6448 2605.987       149.6448 0.000000       0.000000 230.3206 6.644721 ?        ?        ?              ?        
1 1 1 2   19 4  o 342.8745 7.624210 5776.360       255.8799 6266.768       330.4522 5042.000       404.3750 356.6288 9.474818 318.8979 12.98181 37.73090       16.07170 
1 1 1 2   19 5  o 338.4580 6.514442 5622.897       215.8183 5325.347       293.6236 5972.547       318.2932 328.7922 9.132382 348.1597 9.348370 -19.36752      13.06876 
1 1 1 2   19 6  o 89.31297 3.139625 391.1505       27.40453 419.5201       39.92219 365.8699       37.68613 92.41479 4.426199 86.28505 4.477421 6.129745       6.295915 
1 1 1 2   19 7  o 153.7417 3.558454 1157.866       53.54996 1151.122       75.58317 1164.663       75.87988 153.1394 5.049242 154.0393 5.039341 -0.8999176     7.133709 
1 1 1 2   19 8  o 143.9385 3.429424 1014.870       48.31747 932.1138       65.76959 1111.904       71.21754 137.7970 4.883895 150.5198 4.840075 -12.72279      6.875955 
1 1 1 2   19 9  o 263.9806 5.233105 3417.698       135.2190 3351.227       188.0854 3488.805       194.5347 261.0290 7.368769 266.3192 7.469946 -5.290192      10.49280 
1 1 1 2   19 10 o 206.1942 6.089204 2088.730       122.7629 2088.730       122.7629 0.000000       0.000000 206.1942 6.089204 ?        ?        ?              ?        
1 1 1 2   19 11 o 207.3932 4.312198 2108.327       87.53855 2349.949       132.0258 1918.772       116.9390 218.6910 6.173857 197.6103 6.052794 21.08064       8.645972 
1 1 1 2   19 12 o 117.8758 4.238476 681.9721       48.82399 672.4000       69.88251 691.1000       68.24180 116.8617 6.130723 118.5056 5.901658 -1.643890      8.509720 
1 1 1 2   19 13 o 223.5502 4.556656 2450.447       99.70743 2661.857       148.4162 2276.545       134.6081 232.6739 6.523134 215.1811 6.397988 17.49281       9.137042 
1 1 1 2   19 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19 15 o 166.0711 4.162105 1352.936       67.60378 1582.000       135.1431 1276.484       78.07454 179.0993 7.727102 161.2283 4.953101 17.87097       9.178307 
1 1 1 2   19 16 f 131.9199 7.074856 858.5000       91.02123 858.5000       91.02123 0.000000       0.000000 131.9199 7.074856 ?        ?        ?              ?        
1 1 1 2   19 17 o 97.61526 5.136178 468.9397       48.90273 430.9000       66.51226 513.7000       72.14891 93.28119 7.343713 101.9090 7.280841 -8.627815      10.34122 
1 1 1 2   19 18 o 239.8053 6.995060 2832.025       164.0182 2883.000       234.2528 2783.000       229.7269 241.1964 9.943517 236.9747 9.925818 4.221710       14.04975 
1 1 1 2   19 19 o 215.6655 9.226619 2303.000       194.3232 0.000000       0.000000 2303.000       194.3232 ?        ?        215.6655 9.226619 ?              ?        
1 1 1 2   19 20 f 115.0070 7.309992 654.2000       81.86417 0.000000       0.000000 654.2000       81.86417 ?        ?        115.0070 7.309992 ?              ?        
1 1 1 2   19 21 o 131.0253 5.149184 844.4739       65.91032 925.2000       96.03846 772.6000       90.61990 136.8345 7.195688 124.9647 7.442203 11.86977       10.35202 
1 1 1 2   19 22 o 208.3884 6.362499 2139.403       129.6279 2294.000       190.4636 2006.000       176.9271 215.0724 9.067684 201.1114 9.010639 13.96101       12.78337 
1 1 1 2   19 23 o 98.54923 5.322973 478.7962       51.15627 466.9000       71.74420 491.1000       72.96299 96.94209 7.622072 99.45059 7.551754 -2.508507      10.72963 
1 1 1 2   19 24 o 186.1810 5.958305 1708.499       108.4438 1710.000       153.4365 1707.000       153.2890 185.5995 8.468203 185.4365 8.467537 0.1629944      11.97538 
1 1 1 2   19 25 o 67.21212 6.319662 224.6916       41.08863 225.7000       58.35295 223.7000       57.86629 66.78391 9.168305 66.49070 9.132150 0.2932129      12.94040 
1 1 1 2   19 26 o 100.8362 5.272540 501.9726       51.85983 528.3000       74.32891 477.0000       72.39122 103.0264 7.420310 97.82472 7.620233 5.201691       10.63621 
1 1 1 2   19 27 o 97.17459 5.201773 466.5450       49.29749 520.6000       70.80898 415.7000       68.67439 102.2596 7.118655 91.16827 7.769606 11.09137       10.53765 
1 1 1 2   19 28 o 105.5812 5.234976 551.1150       53.93253 561.6000       75.86175 540.4000       76.68922 106.0702 7.352235 103.9734 7.587626 2.096786       10.56539 
1 1 1 2   19 29 o 181.1872 5.928552 1626.759       105.0019 1787.000       155.3563 1492.000       142.4696 188.7357 8.430750 172.4048 8.468321 16.33084       11.94948 
1 1 1 2   19 30 o 146.8215 5.449717 1068.083       78.18356 1148.000       113.7413 996.5000       107.6468 151.3099 7.705072 140.8884 7.836720 10.42159       10.99010 
1 1 1 2   19 31 o 152.8176 5.490504 1158.932       81.99461 1246.000       119.7163 1082.000       112.5326 157.3717 7.796052 146.5856 7.871847 10.78610       11.07901 
1 1 1 2   19 32 o 71.64990 8.588803 263.3000       59.03678 263.3000       59.03678 0.000000       0.000000 71.64990 8.588803 ?        ?        ?              ?        
1 1 1 2   19 33 f 116.8366 7.478649 690.9000       85.07890 690.9000       85.07890 0.000000       0.000000 116.8366 7.478649 ?        ?        ?              ?        
1 1 1 2   19 34 f 102.8482 5.364958 527.8161       53.82264 534.6000       75.75195 520.9000       76.48678 102.5311 7.602085 101.1086 7.788427 1.422478       10.88353 
1 1 1 2   19 35 o 93.06694 8.003697 444.2000       72.20338 0.000000       0.000000 444.2000       72.20338 ?        ?        93.06694 8.003697 ?              ?        
1 1 1 2   19 36 f 51.53019 8.357697 139.1979       40.71265 83.17000       56.66065 199.0000       58.53800 39.14568 12.82403 60.96286 10.16785 -21.81718      16.36585 
1 1 1 2   19 37 o 78.20245 6.190010 309.5475       46.99628 247.5000       63.55681 384.4000       69.80766 68.18348 9.804639 86.06234 8.393272 -17.87886      12.90651 
1 1 1 2   19 38 o 91.43550 5.722098 421.5256       50.95581 470.3000       70.86190 369.3000       73.32607 95.53130 7.641781 83.71483 9.094457 11.81647       11.87880 
1 1 1 2   19 39 o 88.56909 5.855610 396.9131       50.47972 372.1000       67.40637 428.6000       76.17299 84.39440 8.265710 90.30410 8.726200 -5.909698      12.01951 
1 1 1 2   19 40 o 99.17910 5.664881 498.1012       54.76551 523.0000       74.66093 469.1000       80.57726 100.2664 7.665438 94.00890 8.861164 6.257492       11.71662 
1 1 1 2   19 41 o 73.83446 6.357373 280.5488       45.49854 225.7000       58.31317 365.9000       72.74245 64.23515 9.565799 82.32546 9.183277 -18.09031      13.26036 
1 1 1 2   19 42 o 75.94830 6.114217 297.1884       45.06947 345.6000       61.56921 241.3000       66.15308 80.62965 7.902605 65.13837 10.75013 15.49129       13.34228 
1 1 1 2   19 43 o 51.37768 7.684316 141.6210       37.45916 146.8000       49.37840 134.6000       57.49325 50.65450 10.30995 47.00195 12.34142 3.652557       16.08123 
1 1 1 2   19 44 o 35.41048 9.641824 71.90664       34.31228 89.79000       44.87697 46.74000       53.23676 38.78694 11.19834 30.76905 12.08782 8.017887       16.47781 
1 1 1 2   19 45 o 30.71389 11.54836 50.36000       47.12904 50.36000       47.12904 0.000000       0.000000 30.71389 11.54836 ?        ?        ?              ?        
1 1 1 2   19 46 o 29.68499 10.10651 49.44452       35.13892 32.12000       50.11408 66.20000       49.28418 27.96128 11.46560 33.50581 11.93309 -5.544527      16.54867 
1 1 1 2   19 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   19 48 o 27.00315 9.791443 38.99716       33.35085 5.605000       44.64274 81.17000       50.17010 23.26250 10.20901 35.92985 12.07697 -12.66735      15.81383 
1 1 1 2   19 49 o 17.22503 7.921701 -14.58762      30.66075 9.251000       41.65316 -42.78000      45.29740 22.95349 9.970929 18.55544 8.866945 4.398050       13.34324 
1 1 1 2   19 50 f 34.21323 8.996850 68.72750       30.52444 52.17000       40.68494 90.05000       46.16952 29.81818 10.81425 37.46946 11.49432 -7.651274      15.78187 
1 1 1 2   19 51 o 45.63240 11.31982 131.4000       50.31612 0.000000       0.000000 131.4000       50.31612 ?        ?        45.63240 11.31982 ?              ?        
1 1 1 2   19 52 o 24.88778 8.943088 33.32827       27.74492 0.000000       0.000000 33.32827       27.74492 ?        ?        24.88778 8.943088 ?              ?        
1 1 1 2   19 53 o 74.20579 5.425869 287.1571       39.13823 0.000000       0.000000 287.1571       39.13823 ?        ?        74.20579 5.425869 ?              ?        
1 1 1 2   19 54 o 23.74800 8.937460 28.54580       28.24199 0.000000       0.000000 28.54580       28.24199 ?        ?        23.74800 8.937460 ?              ?        
1 1 1 2   19 55 o 26.05763 9.098558 38.46815       28.54363 0.000000       0.000000 38.46815       28.54363 ?        ?        26.05763 9.098558 ?              ?        
1 1 1 2   19 56 o 32.94601 11.50748 71.34000       45.66092 0.000000       0.000000 71.34000       45.66092 ?        ?        32.94601 11.50748 ?              ?        
1 1 1 2   19 57 o 36.35360 8.475493 78.25538       29.60082 0.000000       0.000000 78.25538       29.60082 ?        ?        36.35360 8.475493 ?              ?        
1 1 1 2   19 58 o 18.44929 7.966346 5.662567       26.26844 0.000000       0.000000 5.662567       26.26844 ?        ?        18.44929 7.966346 ?              ?        
1 1 1 2   20 0  o 534.1569 10.03148 14069.90       524.4934 14272.27       749.2739 13875.48       734.4401 535.7280 14.30140 528.2729 14.21630 7.455017       20.16516 
1 1 1 2   20 1  o 432.1770 9.457377 9202.805       400.0724 9358.000       701.1588 9127.887       487.1584 432.5065 16.59296 429.5385 11.59737 2.968018       20.24414 
1 1 1 2   20 2  o 258.5092 7.308007 3286.449       184.7332 0.000000       0.000000 3286.449       184.7332 ?        ?        258.5092 7.308007 ?              ?        
1 1 1 2   20 3  o 260.5125 5.978391 3330.588       152.4471 3216.395       182.8416 3591.000       276.1128 255.7314 7.311913 269.5438 10.48528 -13.81247      12.78300 
1 1 1 2   20 4  o 284.2500 6.465140 3967.194       179.8807 4295.453       231.4991 3467.000       285.7657 295.4134 8.013352 264.6815 11.05446 30.73187       13.65338 
1 1 1 2   20 5  o 134.9923 3.947199 893.7089       52.09997 895.4086       63.47681 890.2000       91.20244 135.0529 4.809489 134.4335 6.954591 0.6193695      8.455621 
1 1 1 2   20 6  o 184.8712 3.992897 1674.833       72.25427 1676.619       102.1211 1673.042       102.2449 184.7651 5.653281 184.5663 5.666278 0.1988220      8.004143 
1 1 1 2   20 7  o 245.2987 4.926186 2950.802       118.2803 3239.999       177.2938 2718.849       158.7804 256.6702 7.063581 235.1323 6.906361 21.53789       9.878866 
1 1 1 2   20 8  o 257.1816 5.121090 3244.387       128.9165 3037.256       174.8124 3491.332       190.8757 248.4623 7.195540 266.3773 7.327569 -17.91508      10.26981 
1 1 1 2   20 9  o 115.1394 3.204860 649.9127       36.08416 645.2030       51.14449 654.5807       50.91767 114.6215 4.567695 115.4574 4.514174 -0.8358536     6.421962 
1 1 1 2   20 10 o 175.3657 4.411338 1508.724       75.66176 1640.491       97.67168 1311.000       119.6451 182.7531 5.466207 163.0773 7.515611 19.67580       9.293214 
1 1 1 2   20 11 o 153.5638 3.551376 1155.503       53.38163 1191.591       76.52810 1121.304       74.49886 155.7701 5.025733 151.0994 5.044172 4.670746       7.120511 
1 1 1 2   20 12 o 154.2710 3.556654 1166.219       53.70717 1200.282       76.98502 1133.923       74.96218 156.3304 5.037603 151.9419 5.047329 4.388504       7.131128 
1 1 1 2   20 13 o 245.2440 5.696683 2953.192       136.7498 3131.000       247.0443 2874.641       164.2009 251.4581 10.05727 241.6701 6.948606 9.787994       12.22423 
1 1 1 2   20 14 o 156.9256 5.333637 1210.161       81.80727 1118.000       109.6217 1326.000       122.8994 150.5241 7.463466 163.9228 7.680923 -13.39868      10.70980 
1 1 1 2   20 15 o 76.15175 2.998846 284.5289       22.30952 430.7000       57.92940 259.0744       24.17411 93.39179 6.375234 72.63182 3.409820 20.75997       7.229833 
1 1 1 2   20 16 o 161.3568 5.424732 1279.838       85.55667 1193.000       116.1102 1383.000       126.5541 155.4380 7.654996 167.3689 7.745944 -11.93088      10.89030 
1 1 1 2   20 17 o 233.6827 6.855901 2689.503       156.6490 2568.000       214.9961 2827.000       228.7095 227.6275 9.671426 238.8087 9.805110 -11.18118      13.77232 
1 1 1 2   20 18 o 262.2819 10.73593 3420.000       275.0396 0.000000       0.000000 3420.000       275.0396 ?        ?        262.2819 10.73593 ?              ?        
1 1 1 2   20 19 o 136.5761 5.222919 917.5132       69.69363 834.6000       95.26182 1013.000       102.2301 129.8903 7.524874 143.1809 7.318642 -13.29065      10.49696 
1 1 1 2   20 20 o 175.4871 5.749069 1515.688       98.61940 1367.000       132.0835 1703.000       148.2500 166.1707 8.145417 185.5043 8.184741 -19.33365      11.54720 
1 1 1 2   20 21 o 290.8338 8.227023 4184.895       233.9684 4548.000       348.8411 3888.000       315.4373 301.4690 11.84472 278.8392 11.58243 22.62979       16.56653 
1 1 1 2   20 22 o 119.2549 5.131716 700.3104       59.76231 611.0000       80.13947 812.2000       89.69960 110.9928 7.419019 128.0863 7.183321 -17.09351      10.32676 
1 1 1 2   20 23 o 273.6840 7.842190 3709.322       209.8674 3926.000       307.7667 3521.000       286.9229 279.8460 11.25858 265.0946 11.08197 14.75134       15.79765 
1 1 1 2   20 24 f 116.8101 5.237962 672.7803       59.73694 631.7000       83.57072 715.7000       85.42124 112.7085 7.619946 120.0739 7.302464 -7.365417      10.55412 
1 1 1 2   20 25 o 150.3887 5.447407 1115.809       80.05586 1201.000       117.0782 1041.000       109.7126 155.4152 7.720368 144.6496 7.777370 10.76555       10.95863 
1 1 1 2   20 26 o 199.6651 6.262155 1972.600       122.2348 2107.000       178.5310 1854.000       167.7085 205.2289 8.908498 192.4823 8.925691 12.74655       12.61068 
1 1 1 2   20 27 o 59.57087 6.702131 178.0896       38.40260 155.0000       52.34626 205.0000       56.51154 54.64883 10.15971 63.26943 9.411212 -8.620605      13.84885 
1 1 1 2   20 28 o 85.25257 5.618185 360.9934       46.62107 317.7000       63.33373 412.2000       68.87908 79.25693 8.286077 90.51937 7.851486 -11.26244      11.41512 
1 1 1 2   20 29 o 121.3885 5.238118 730.0038       62.09199 743.3000       87.63481 716.6000       87.98892 121.7688 7.387239 119.4865 7.562001 2.282372       10.57143 
1 1 1 2   20 30 o 117.8729 5.241327 689.3334       60.32177 688.1000       84.74629 690.6000       85.88076 116.9694 7.440450 117.1448 7.529613 -0.1753769     10.58562 
1 1 1 2   20 31 o 108.0746 7.501470 589.7000       78.86285 589.7000       78.86285 0.000000       0.000000 108.0746 7.501470 ?        ?        ?              ?        
1 1 1 2   20 32 o 36.58654 11.93489 69.66000       49.10034 69.66000       49.10034 0.000000       0.000000 36.58654 11.93489 ?        ?        ?              ?        
1 1 1 2   20 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   20 34 o 103.7951 7.819236 550.8000       78.85733 0.000000       0.000000 550.8000       78.85733 ?        ?        103.7951 7.819236 ?              ?        
1 1 1 2   20 35 o 80.48996 5.881563 326.3187       46.01851 266.0000       62.27055 398.9000       68.30762 71.19687 9.146469 88.01303 8.016854 -16.81616      12.16256 
1 1 1 2   20 36 o 116.0220 5.425109 674.5900       61.43996 634.4000       85.16869 718.2000       88.71843 111.0724 7.884974 118.3397 7.700919 -7.267250      11.02166 
1 1 1 2   20 37 o 130.0240 5.443174 848.5950       69.12264 853.4000       96.81969 843.6000       98.71626 128.7894 7.715660 127.8745 7.925713 0.9148865      11.06112 
1 1 1 2   20 38 o 77.04921 6.106192 301.5897       45.67530 345.1000       62.97610 253.3000       66.34473 81.41903 8.005538 68.37090 10.22727 13.04813       12.98791 
1 1 1 2   20 39 o 66.94505 6.673297 230.8481       43.14666 249.8000       57.74849 206.9000       64.91557 68.44551 8.824798 60.62844 11.35592 7.817074       14.38172 
1 1 1 2   20 40 o 81.32025 6.023175 338.1621       47.60323 296.1000       61.97213 398.7000       74.34723 74.38941 8.673507 86.20724 8.940443 -11.81783      12.45637 
1 1 1 2   20 41 o 66.25836 6.750576 228.8468       43.17037 225.3000       57.30791 233.5000       65.64133 63.96841 9.435534 64.04378 10.85865 -0.7536697E-01 14.38540 
1 1 1 2   20 42 o 23.33848 9.504433 17.55225       34.14603 36.81000       44.53093 -9.929000      53.19577 28.40754 11.08612 23.83367 10.75440 4.573864       15.44536 
1 1 1 2   20 43 o 57.17783 6.990451 173.0363       38.31097 161.6000       50.46017 188.6000       58.86567 53.20618 10.05744 56.83166 10.97938 -3.625481      14.88955 
1 1 1 2   20 44 o 34.12996 11.57642 68.80000       46.09865 68.80000       46.09865 0.000000       0.000000 34.12996 11.57642 ?        ?        ?              ?        
1 1 1 2   20 45 o 44.36586 8.608334 109.9338       36.03417 129.8000       50.51993 89.36000       51.41180 46.39252 11.24396 37.93934 12.19954 8.453175       16.59083 
1 1 1 2   20 46 o 36.11548 12.25791 81.21000       51.68670 0.000000       0.000000 81.21000       51.68670 ?        ?        36.11548 12.25791 ?              ?        
1 1 1 2   20 47 o 47.41549 8.024746 124.4314       35.91688 81.29000       47.33125 183.0000       55.14846 36.11450 11.71339 55.58692 10.52090 -19.47242      15.74462 
1 1 1 2   20 48 o 25.18056 10.60791 21.42000       44.58179 21.42000       44.58179 0.000000       0.000000 25.18056 10.60791 ?        ?        ?              ?        
1 1 1 2   20 49 o 33.43559 9.194714 65.95379       31.02621 79.00000       41.49385 49.41000       46.72605 35.57205 10.89386 29.62639 11.41228 5.945660       15.77708 
1 1 1 2   20 50 o 36.54325 8.579724 77.26291       30.16111 48.27000       39.22501 119.2000       47.17548 28.94466 10.59999 43.57617 11.04698 -14.63152      15.30998 
1 1 1 2   20 51 o 18.06362 8.622981 -38.94000      42.60471 0.000000       0.000000 -38.94000      42.60471 ?        ?        18.06362 8.622981 ?              ?        
1 1 1 2   20 52 o 30.32953 8.996511 54.32813       28.62666 0.000000       0.000000 54.32813       28.62666 ?        ?        30.32953 8.996511 ?              ?        
1 1 1 2   20 53 o 19.80244 8.357956 9.549023       27.75959 0.000000       0.000000 9.549023       27.75959 ?        ?        19.80244 8.357956 ?              ?        
1 1 1 2   20 54 o 13.90846 6.680750 -31.54175      26.45664 0.000000       0.000000 -31.54175      26.45664 ?        ?        13.90846 6.680750 ?              ?        
1 1 1 2   20 55 o 23.07800 10.10077 10.93000       43.43862 0.000000       0.000000 10.93000       43.43862 ?        ?        23.07800 10.10077 ?              ?        
1 1 1 2   20 56 o 27.16166 9.025864 43.69626       28.03425 0.000000       0.000000 43.69626       28.03425 ?        ?        27.16166 9.025864 ?              ?        
1 1 1 2   20 57 f 17.53929 7.766697 -0.9501012E-01 26.38876 0.000000       0.000000 -0.9501012E-01 26.38876 ?        ?        17.53929 7.766697 ?              ?        
1 1 1 2   21 0  o 74.02173 3.400974 268.9963       24.57574 224.8521       34.23874 315.9091       35.29608 67.50066 5.222668 80.14403 4.517633 -12.64337      6.905452 
1 1 1 2   21 1  f 213.8452 4.438370 2241.943       92.90287 2120.496       127.2330 2380.644       135.9709 207.7013 6.265433 220.0764 6.318528 -12.37511      8.898283 
1 1 1 2   21 2  o 219.8655 5.232484 2371.588       112.6085 2317.000       192.4463 2400.010       138.8634 216.6062 9.097043 220.9511 6.427574 -4.344925      11.13867 
1 1 1 2   21 3  o 586.5775 15.78082 17224.29       905.2456 0.000000       0.000000 17224.29       905.2456 ?        ?        586.5775 15.78082 ?              ?        
1 1 1 2   21 4  o 211.9543 4.420138 2202.543       91.70316 2120.555       126.6710 2292.835       132.9311 207.6986 6.237777 215.9695 6.294939 -8.270920      8.862061 
1 1 1 2   21 5  o 230.0263 5.445694 2596.607       122.6131 2596.417       149.4229 2597.000       214.5332 229.7704 6.650802 229.2004 9.583681 0.5700378      11.66534 
1 1 1 2   21 6  o 109.7995 3.813374 591.5388       40.92195 637.2500       50.43898 503.5000       69.99895 113.9101 4.532793 100.9433 7.130358 12.96677       8.449155 
1 1 1 2   21 7  o 383.9996 7.326786 7253.372       275.3915 7204.743       387.7294 7302.880       391.2188 381.5991 10.39010 384.1819 10.41303 -2.582825      14.71004 
1 1 1 2   21 8  o 260.1777 5.183496 3321.624       132.0076 3442.772       191.1413 3211.145       182.5302 264.4222 7.392252 255.3826 7.309445 9.039627       10.39583 
1 1 1 2   21 9  o 232.6324 4.733637 2654.482       107.7883 2511.488       147.0434 2820.561       158.4682 225.9388 6.656135 239.4283 6.768564 -13.48949      9.493029 
1 1 1 2   21 10 o 180.5435 3.938678 1597.808       69.60468 1589.479       98.07234 1606.263       98.80349 179.8442 5.577881 180.7905 5.590009 -0.9463196     7.896896 
1 1 1 2   21 11 o 171.4836 4.359708 1442.976       73.11964 1518.251       92.69694 1319.000       118.9622 175.7821 5.393848 163.5276 7.451689 12.25452       9.198981 
1 1 1 2   21 12 o 161.1771 3.660295 1273.227       57.74648 1260.680       80.98861 1286.203       82.36040 160.1838 5.172124 161.7945 5.207321 -1.610779      7.339418 
1 1 1 2   21 13 o 174.0960 4.375280 1487.445       74.50005 1558.778       94.76157 1372.000       120.5517 178.0927 5.442392 166.7681 7.403518 11.32463       9.188673 
1 1 1 2   21 14 o 189.8011 4.621266 1767.350       85.85504 2025.000       165.9480 1673.181       100.3252 202.4354 8.393102 184.4927 5.561872 17.94269       10.06869 
1 1 1 2   21 15 o 191.4334 4.053105 1797.036       75.94721 1924.000       161.8463 1761.185       86.00433 197.2754 8.400770 189.4572 4.637702 7.818176       9.595896 
1 1 1 2   21 16 o 139.9415 7.431591 967.7000       101.4319 0.000000       0.000000 967.7000       101.4319 ?        ?        139.9415 7.431591 ?              ?        
1 1 1 2   21 17 o 153.8228 7.714869 1170.000       115.7889 0.000000       0.000000 1170.000       115.7889 ?        ?        153.8228 7.714869 ?              ?        
1 1 1 2   21 18 o 158.6247 5.462026 1238.005       84.68031 1240.000       119.6095 1236.000       119.9032 158.3318 7.741223 158.0687 7.773427 0.2631226      10.97054 
1 1 1 2   21 19 o 129.7390 5.152559 828.2960       65.30332 736.5000       88.14204 940.0000       97.23119 121.9602 7.418529 137.8739 7.229989 -15.91371      10.35892 
1 1 1 2   21 20 f 156.8738 5.471152 1211.685       83.88227 1250.000       119.9374 1175.000       117.3595 158.8664 7.736135 153.9975 7.811226 4.868912       10.99377 
1 1 1 2   21 21 o 184.9480 5.962674 1686.173       107.8025 1796.000       157.7739 1590.000       147.6416 190.1882 8.496563 178.9399 8.453272 11.24823       11.98538 
1 1 1 2   21 22 o 162.5920 5.594573 1303.094       88.90473 1390.000       129.6693 1226.000       122.1297 167.3377 7.939217 157.1257 7.966865 10.21194       11.24731 
1 1 1 2   21 23 o 87.27929 5.514441 376.7052       46.86978 401.9000       67.39054 353.1000       65.23001 89.72483 7.749133 83.99624 8.031498 5.728592       11.16038 
1 1 1 2   21 24 o 106.6796 5.226454 561.9737       54.40904 567.9000       76.79343 556.0000       77.09949 106.7715 7.393549 105.6131 7.507024 1.158409       10.53660 
1 1 1 2   21 25 o 97.92217 5.256986 474.1177       50.20294 484.5000       69.96643 463.1000       72.07590 98.53001 7.306623 96.20951 7.718302 2.320496       10.62821 
1 1 1 2   21 26 o 157.8535 5.521445 1232.476       85.18124 1324.000       123.7244 1150.000       117.4494 162.7804 7.787686 151.6201 7.941532 11.16025       11.12277 
1 1 1 2   21 27 o 100.4257 5.283205 499.7654       51.75095 546.3000       72.34509 451.0000       74.05878 104.4972 7.115358 94.59729 8.075336 9.899895       10.76287 
1 1 1 2   21 28 o 122.1226 5.216179 739.0410       62.20900 715.7000       85.80831 764.9000       90.31847 119.4401 7.375590 123.4361 7.510839 -3.996071      10.52673 
1 1 1 2   21 29 o 161.0337 5.630114 1288.381       88.60773 1237.000       121.8718 1346.000       129.0572 156.6135 7.976279 163.3094 8.098823 -6.695938      11.36714 
1 1 1 2   21 30 o 74.21722 8.185568 281.5000       58.47818 281.5000       58.47818 0.000000       0.000000 74.21722 8.185568 ?        ?        ?              ?        
1 1 1 2   21 31 o 110.4828 5.256738 607.9266       56.68522 639.5000       79.04604 574.5000       81.33289 112.4725 7.218153 106.2574 7.875890 6.215164       10.68323 
1 1 1 2   21 32 o 62.84740 6.705067 200.5877       40.61109 159.0000       55.75140 247.6000       59.27603 54.29180 10.87043 68.97312 8.993997 -14.68132      14.10880 
1 1 1 2   21 33 o 87.17635 8.278069 391.6000       69.79072 0.000000       0.000000 391.6000       69.79072 ?        ?        87.17635 8.278069 ?              ?        
1 1 1 2   21 34 o 109.3788 5.308961 598.4651       56.66954 606.8000       78.93536 589.6000       81.40746 109.0167 7.441908 107.2307 7.809551 1.785980       10.78754 
1 1 1 2   21 35 o 89.22392 5.569536 400.1079       48.39886 380.3000       66.30401 422.7000       70.81071 85.80613 7.986010 90.43836 8.084241 -4.632233      11.36360 
1 1 1 2   21 36 o 94.48415 5.510604 449.0795       50.74290 471.4000       70.50922 425.1000       73.08253 95.67083 7.591596 90.35114 8.358411 5.319695       11.29138 
1 1 1 2   21 37 o 73.88936 6.169292 277.7394       44.21254 265.7000       59.57460 292.5000       65.96449 70.92484 8.767879 74.13306 9.294318 -3.208221      12.77733 
1 1 1 2   21 38 o 54.66093 7.757692 157.2803       40.34201 172.7000       53.99738 137.8000       60.69207 55.97001 10.23321 48.50795 12.65254 7.462067       16.27284 
1 1 1 2   21 39 o 61.89206 6.956172 199.4135       41.41295 154.6000       53.50118 266.4000       65.41129 52.25724 10.81614 69.70457 9.862188 -17.44732      14.63734 
1 1 1 2   21 40 o 68.22543 6.605541 241.8203       43.56121 188.8000       55.48632 327.0000       70.32875 58.01180 10.14053 77.19183 9.508710 -19.18003      13.90129 
1 1 1 2   21 41 o 80.99487 5.817115 336.9343       45.81095 373.5000       62.60929 294.8000       67.20781 83.84246 7.715476 72.83717 9.665029 11.00529       12.36695 
1 1 1 2   21 42 o 47.21344 8.228292 121.9595       36.64457 68.18000       47.10421 204.4000       58.32058 34.19517 11.70004 59.76904 10.34300 -25.57387      15.61629 
1 1 1 2   21 43 f 45.80019 11.02998 124.9000       48.85479 124.9000       48.85479 0.000000       0.000000 45.80019 11.02998 ?        ?        ?              ?        
1 1 1 2   21 44 o 80.83912 5.722268 337.4076       44.98627 303.2000       61.93850 375.6000       65.44677 74.16739 8.696821 83.17049 8.143447 -9.003098      11.91430 
1 1 1 2   21 45 o 23.54684 10.38988 3.533000       46.82146 0.000000       0.000000 3.533000       46.82146 ?        ?        23.54684 10.38988 ?              ?        
1 1 1 2   21 46 o 41.05563 8.818510 96.16488       34.38068 102.0000       46.48745 89.12000       51.07960 40.56396 11.29348 37.42314 12.17066 3.140823       16.60324 
1 1 1 2   21 47 o 32.64964 9.726027 63.17940       33.40110 90.42000       44.69689 28.73000       50.26433 38.02130 11.23229 27.02403 11.31642 10.99727       15.94445 
1 1 1 2   21 48 o 32.83016 9.352819 63.89283       31.50542 18.13000       41.57775 125.6000       48.28057 24.09554 10.20219 44.85361 11.06612 -20.75807      15.05137 
1 1 1 2   21 49 o 19.52824 8.846801 -7.806000      36.42327 -7.806000      36.42327 0.000000       0.000000 19.52824 8.846801 ?        ?        ?              ?        
1 1 1 2   21 50 o 29.30351 9.178697 50.43562       29.26681 25.42000       37.66007 88.58000       46.50405 24.50552 9.980839 36.95840 11.56922 -12.45288      15.27953 
1 1 1 2   21 51 o 23.37574 8.905457 26.82681       28.24282 0.000000       0.000000 26.82681       28.24282 ?        ?        23.37574 8.905457 ?              ?        
1 1 1 2   21 52 o 20.33419 8.441523 12.69497       27.61687 0.000000       0.000000 12.69497       27.61687 ?        ?        20.33419 8.441523 ?              ?        
1 1 1 2   21 53 o 16.26960 7.468933 -12.09290      27.08853 0.000000       0.000000 -12.09290      27.08853 ?        ?        16.26960 7.468933 ?              ?        
1 1 1 2   21 54 o 29.44539 11.18754 51.87000       44.49745 0.000000       0.000000 51.87000       44.49745 ?        ?        29.44539 11.18754 ?              ?        
1 1 1 2   21 55 o 25.57424 9.013465 37.31297       28.05559 0.000000       0.000000 37.31297       28.05559 ?        ?        25.57424 9.013465 ?              ?        
1 1 1 2   21 56 o 37.37010 8.171738 81.94154       29.05649 0.000000       0.000000 81.94154       29.05649 ?        ?        37.37010 8.171738 ?              ?        
1 1 1 2   21 57 o 33.13814 8.680514 66.88390       28.48722 0.000000       0.000000 66.88390       28.48722 ?        ?        33.13814 8.680514 ?              ?        
1 1 1 2   22 0  o 134.5878 3.423243 888.1193       45.06060 828.4081       61.92078 955.3362       65.69739 129.8578 4.880176 139.4709 4.819604 -9.613068      6.858914 
1 1 1 2   22 1  o 314.6374 6.110717 4862.983       188.1953 4787.616       263.4742 4941.489       268.9056 311.4962 8.649675 316.4542 8.689487 -4.958038      12.26067 
1 1 1 2   22 2  o 162.8117 4.333223 1300.658       68.99483 1201.463       80.82815 1567.000       132.4454 156.3753 5.288269 178.2637 7.607950 -21.88837      9.265349 
1 1 1 2   22 3  o 255.3547 5.906672 3202.412       147.6362 3175.000       254.5754 3216.302       181.2232 253.1617 10.29483 255.5816 7.251322 -2.419861      12.59227 
1 1 1 2   22 4  o 154.2952 5.140038 1169.545       77.52084 0.000000       0.000000 1169.545       77.52084 ?        ?        154.2952 5.140038 ?              ?        
1 1 1 2   22 5  o 384.5043 8.487466 7289.018       319.4372 7201.000       548.4954 7334.195       392.9547 379.0804 14.81057 384.8352 10.44150 -5.754791      18.12121 
1 1 1 2   22 6  o 171.5407 5.443841 1446.024       91.29113 1446.024       91.29113 0.000000       0.000000 171.5407 5.443841 ?        ?        ?              ?        
1 1 1 2   22 7  o 183.7091 4.657873 1656.550       83.69011 1609.417       100.2398 1765.000       152.0526 180.9480 5.666511 189.0553 8.236489 -8.107285      9.997455 
1 1 1 2   22 8  o 136.5237 3.441512 913.9415       45.95333 953.8188       66.12188 876.6873       63.91020 139.3429 4.855324 133.5787 4.896234 5.764191       6.895453 
1 1 1 2   22 9  o 100.0778 3.682655 491.5634       36.01338 470.9654       44.65217 529.9000       60.91665 97.86964 4.674613 103.6754 6.028812 -5.805740      7.628800 
1 1 1 2   22 10 o 162.2725 3.713962 1290.727       58.99139 1295.889       83.54265 1285.594       83.31067 162.3865 5.262913 161.7387 5.269393 0.6478119      7.447467 
1 1 1 2   22 11 o 178.3229 3.919493 1559.016       68.41373 1633.172       99.06104 1491.394       94.59654 182.2698 5.558913 174.1715 5.555817 8.098312       7.859302 
1 1 1 2   22 12 o 53.63348 5.119996 142.4910       26.55310 157.4000       39.58955 130.3000       35.79937 56.05527 7.395607 50.91384 7.399944 5.141430       10.46204 
1 1 1 2   22 13 o 90.59944 3.461745 402.8979       30.64270 470.1066       40.59636 313.9000       46.71580 97.80774 4.250556 79.68353 6.034335 18.12421       7.381085 
1 1 1 2   22 14 o 154.0320 3.594432 1163.105       54.19353 1073.000       108.3288 1193.183       62.58852 147.3429 7.536222 155.9180 4.104593 -8.575134      8.581511 
1 1 1 2   22 15 o 95.14449 3.741681 444.5668       34.77835 0.000000       0.000000 444.5668       34.77835 ?        ?        95.14449 3.741681 ?              ?        
1 1 1 2   22 16 o 42.41989 3.056634 88.63910       12.60658 0.000000       0.000000 88.63910       12.60658 ?        ?        42.41989 3.056634 ?              ?        
1 1 1 2   22 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   22 18 o 152.2715 5.402244 1141.558       80.39154 1009.000       107.0506 1313.000       121.7428 142.7012 7.692429 162.8461 7.659113 -20.14487      10.85521 
1 1 1 2   22 19 f 132.5628 5.208111 865.4006       67.44695 808.6000       91.77722 932.1000       99.45330 127.7300 7.371991 137.1527 7.435942 -9.422676      10.47089 
1 1 1 2   22 20 o 214.5807 6.538624 2273.707       137.1754 2477.000       203.6957 2105.000       185.5607 222.9528 9.354675 205.5428 9.246787 17.40994       13.15344 
1 1 1 2   22 21 o 155.2546 5.521701 1188.612       83.77832 1294.000       122.8541 1097.000       114.5429 161.4070 7.799167 148.5532 7.905818 12.85385       11.10536 
1 1 1 2   22 22 o 155.7072 5.488036 1196.341       83.51262 1222.000       118.4755 1171.000       117.7373 156.7401 7.746218 153.3876 7.868128 3.352570       11.04135 
1 1 1 2   22 23 o 55.24395 7.076298 153.6582       37.38708 182.2000       51.91204 122.9000       53.89005 59.72467 9.172725 48.35520 11.54559 11.36947       14.74583 
1 1 1 2   22 24 o 144.8644 5.338139 1036.948       75.56390 1022.000       105.0117 1053.000       108.8168 143.1458 7.521066 145.2480 7.681147 -2.102234      10.75018 
1 1 1 2   22 25 o 204.7289 6.367623 2080.494       127.4484 2080.000       179.1388 2081.000       181.3602 203.2756 9.025730 203.2535 9.139243 0.2217102E-01  12.84483 
1 1 1 2   22 26 o 103.9933 5.192785 535.8531       52.69093 552.3000       73.03422 518.0000       76.09228 105.0128 7.147833 101.4927 7.717344 3.520142       10.51898 
1 1 1 2   22 27 o 68.27817 6.017103 233.2832       39.80281 245.0000       54.80014 220.2000       57.90768 69.34282 8.234309 65.33008 9.319462 4.012741       12.43609 
1 1 1 2   22 28 o 82.94454 5.545670 342.8846       44.76574 347.9000       61.41697 337.2000       65.38589 82.88649 7.656542 81.34377 8.329588 1.542725       11.31392 
1 1 1 2   22 29 o 87.39788 7.457208 387.0000       63.18568 387.0000       63.18568 0.000000       0.000000 87.39788 7.457208 ?        ?        ?              ?        
1 1 1 2   22 30 o 114.0525 5.228647 647.9066       58.21614 717.4000       83.87242 583.3000       80.86975 119.0987 7.228623 107.0796 7.768488 12.01912       10.61143 
1 1 1 2   22 31 o 86.82876 8.058373 386.6000       67.70690 0.000000       0.000000 386.6000       67.70690 ?        ?        86.82876 8.058373 ?              ?        
1 1 1 2   22 32 o 24.77114 10.85337 -4.166000      50.27161 0.000000       0.000000 -4.166000      50.27161 ?        ?        24.77114 10.85337 ?              ?        
1 1 1 2   22 33 o 55.94230 7.194755 161.1195       38.48582 184.8000       52.99774 134.7000       55.97888 58.96829 9.504973 49.19291 11.78121 9.775379       15.13741 
1 1 1 2   22 34 o 68.94222 6.327535 241.4953       42.22401 253.3000       58.33001 228.5000       61.20093 69.49161 8.770342 65.38872 9.868983 4.102890       13.20287 
1 1 1 2   22 35 o 55.48317 7.263902 159.4602       38.50264 124.0000       51.13134 205.9000       58.51431 47.11342 11.24431 61.76743 10.02137 -14.65401      15.06195 
1 1 1 2   22 36 o 133.2646 5.361026 892.3980       69.78813 922.9000       97.09589 859.8000       100.3765 133.9365 7.435385 128.7696 8.003213 5.166840       10.92412 
1 1 1 2   22 37 o 43.42391 8.841493 102.2776       36.30164 91.82000       46.72609 118.2000       57.65641 40.14542 11.37462 44.93414 12.60177 -4.788719      16.97605 
1 1 1 2   22 38 o 53.22229 7.744932 150.1245       39.16470 128.3000       50.76947 182.2000       61.54843 47.29106 11.15053 56.32851 11.55107 -9.037449      16.05495 
1 1 1 2   22 39 o 46.27975 8.924054 117.8937       38.96063 125.8000       50.35401 106.1000       61.49963 46.46705 11.20260 41.60258 13.33949 4.864468       17.41953 
1 1 1 2   22 40 o 49.71286 8.152386 134.1414       38.29594 204.2000       51.08411 44.25000       57.86474 61.08450 8.797057 31.06882 12.47261 30.01568       15.26284 
1 1 1 2   22 41 o 43.49383 8.599422 104.8684       35.31243 91.99000       45.26199 124.9000       56.44959 39.25717 11.21893 44.94975 12.41854 -5.692581      16.73573 
1 1 1 2   22 42 o 46.21211 10.71484 125.9000       47.52249 125.9000       47.52249 0.000000       0.000000 46.21211 10.71484 ?        ?        ?              ?        
1 1 1 2   22 43 o 41.14765 9.044335 96.05545       35.43213 126.3000       50.00543 65.56000       50.21242 45.74789 11.24737 33.44367 12.02931 12.30422       16.46838 
1 1 1 2   22 44 o 28.19181 11.35349 36.46000       48.10903 0.000000       0.000000 36.46000       48.10903 ?        ?        28.19181 11.35349 ?              ?        
1 1 1 2   22 45 o 40.91177 8.849933 95.61052       34.40796 100.8000       46.53251 89.35000       51.10929 40.29263 11.32850 37.46239 12.17352 2.830238       16.62918 
1 1 1 2   22 46 o 62.95273 6.266846 209.4113       38.10386 170.4000       50.75411 259.8000       57.68228 53.82943 10.00069 67.79067 8.908296 -13.96125      13.39296 
1 1 1 2   22 47 o 64.42043 5.950875 218.6356       37.10019 251.1000       50.72738 181.3000       54.40014 67.39622 7.835453 54.74030 10.53516 12.65592       13.12950 
1 1 1 2   22 48 o 28.47811 9.276340 47.29885       29.66752 58.99000       38.66876 30.57000       46.25565 31.11863 10.60185 26.45152 10.94789 4.667107       15.23994 
1 1 1 2   22 49 o 36.27692 8.724030 76.69196       30.59669 78.76000       40.27669 73.87000       47.04884 35.48043 10.70601 33.94947 11.69055 1.530968       15.85206 
1 1 1 2   22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   22 51 o 19.55608 8.323500 8.014367       27.92205 0.000000       0.000000 8.014367       27.92205 ?        ?        19.55608 8.323500 ?              ?        
1 1 1 2   22 52 o 35.01480 8.774989 72.31181       30.01173 0.000000       0.000000 72.31181       30.01173 ?        ?        35.01480 8.774989 ?              ?        
1 1 1 2   22 53 o 53.59261 10.11747 175.2000       51.12911 0.000000       0.000000 175.2000       51.12911 ?        ?        53.59261 10.11747 ?              ?        
1 1 1 2   22 54 f 25.03179 8.982808 35.06531       27.98146 0.000000       0.000000 35.06531       27.98146 ?        ?        25.03179 8.982808 ?              ?        
1 1 1 2   22 55 o 34.23483 8.627420 70.22825       28.89505 0.000000       0.000000 70.22825       28.89505 ?        ?        34.23483 8.627420 ?              ?        
1 1 1 2   22 56 o 22.83464 8.687938 27.29148       26.85795 0.000000       0.000000 27.29148       26.85795 ?        ?        22.83464 8.687938 ?              ?        
1 1 1 2   23 0  o 372.4565 7.138042 6827.273       260.2321 6952.259       373.3821 6709.214       362.8897 374.6374 10.19154 368.0730 10.08193 6.564362       14.33572 
1 1 1 2   23 1  o 319.8299 6.207951 5027.454       194.3451 5217.268       281.8587 4855.421       268.3310 324.9821 8.868945 313.5399 8.751787 11.44223       12.46001 
1 1 1 2   23 2  o 303.5456 5.931429 4526.926       176.2339 4850.016       260.7983 4255.406       239.0803 313.4395 8.508376 293.6371 8.326556 19.80243       11.90479 
1 1 1 2   23 3  o 316.7433 6.162992 4930.768       191.0756 4598.034       257.8394 5336.091       284.5785 305.1337 8.641530 328.6572 8.854182 -23.52356      12.37225 
1 1 1 2   23 4  o 196.6288 5.957769 1901.443       114.5344 0.000000       0.000000 1901.443       114.5344 ?        ?        196.6288 5.957769 ?              ?        
1 1 1 2   23 5  o 200.9315 4.923844 1981.339       96.84085 1931.000       165.8898 2007.362       119.2736 197.6294 8.596109 202.0189 6.038567 -4.389511      10.50511 
1 1 1 2   23 6  o 195.6919 4.183601 1877.971       80.13632 1927.967       115.0881 1830.918       111.6499 197.9905 5.945275 192.9427 5.918853 5.047806       8.389226 
1 1 1 2   23 7  o 170.1960 5.505245 1424.108       91.59262 1512.000       131.3825 1341.000       127.7566 175.0048 7.688519 164.7422 7.946116 10.26254       11.05686 
1 1 1 2   23 8  o 92.64571 4.691304 422.2401       42.40424 422.2401       42.40424 0.000000       0.000000 92.64571 4.691304 ?        ?        ?              ?        
1 1 1 2   23 9  o 160.2522 4.260752 1260.511       66.77454 1200.689       80.64101 1391.000       119.1002 156.2779 5.279299 167.8955 7.264336 -11.61765      8.980065 
1 1 1 2   23 10 o 111.1470 4.453751 607.0728       48.35593 664.0000       72.04397 560.4000       65.23336 116.0121 6.368797 106.5613 6.281956 9.450768       8.945643 
1 1 1 2   23 11 o 127.1219 4.767255 794.3336       59.21407 794.3336       59.21407 0.000000       0.000000 127.1219 4.767255 ?        ?        ?              ?        
1 1 1 2   23 12 o 150.4354 4.198127 1111.094       61.75710 1216.000       112.7868 1066.173       73.80424 156.8798 7.365448 147.2450 5.128590 9.634796       8.975091 
1 1 1 2   23 13 o 165.6241 3.750515 1345.185       60.80238 1428.776       88.61949 1270.837       83.57699 170.4405 5.318414 160.7346 5.319489 9.705917       7.522133 
1 1 1 2   23 14 o 217.4987 5.167422 2324.192       110.0112 0.000000       0.000000 2324.192       110.0112 ?        ?        217.4987 5.167422 ?              ?        
1 1 1 2   23 15 o 176.0899 5.517419 1526.189       94.98178 0.000000       0.000000 1526.189       94.98178 ?        ?        176.0899 5.517419 ?              ?        
1 1 1 2   23 16 o 207.5052 4.320407 2113.867       87.75256 2140.000       181.0626 2105.844       100.3223 207.5525 8.933312 207.0109 4.951059 0.5415649      10.21357 
1 1 1 2   23 17 o 201.5048 6.237844 2002.753       122.8861 1907.000       167.9780 2113.000       180.2441 195.8768 8.783534 206.1434 8.954111 -10.26656      12.54299 
1 1 1 2   23 18 o 161.2713 5.532538 1281.782       87.20557 1313.000       122.7792 1250.000       123.8828 162.6921 7.732088 158.6562 8.002993 4.035889       11.12803 
1 1 1 2   23 19 o 146.3965 5.359256 1056.546       76.66686 1041.000       106.9183 1073.000       109.9937 144.7942 7.570173 146.9802 7.672007 -2.186066      10.77809 
1 1 1 2   23 20 o 112.5932 5.178477 625.5609       56.91882 661.0000       80.71224 590.5000       80.28024 115.3165 7.186308 108.8726 7.580631 6.443901       10.44552 
1 1 1 2   23 21 o 93.59721 5.281744 433.1331       48.19263 469.5000       68.07713 396.6000       68.23248 97.04574 7.218383 88.97868 7.916857 8.067062       10.71362 
1 1 1 2   23 22 o 84.39539 5.415627 352.8717       44.50160 359.2000       62.11978 346.2000       63.78270 84.66785 7.575541 83.01271 7.946584 1.655136       10.97893 
1 1 1 2   23 23 o 189.7888 6.076461 1785.241       112.7372 1907.000       163.9384 1676.000       155.2825 194.9405 8.612832 182.6789 8.709246 12.26155       12.24875 
1 1 1 2   23 24 o 89.30278 5.396410 395.7301       46.95098 379.3000       63.46004 415.6000       69.78751 86.85629 7.538960 90.82087 7.929738 -3.964584      10.94151 
1 1 1 2   23 25 o 45.78266 8.153259 108.1746       35.19780 57.48000       47.29662 171.1000       52.69410 34.38067 11.72487 57.36065 9.732680 -22.97998      15.23803 
1 1 1 2   23 26 o 77.64996 5.567661 300.5663       42.03666 271.8000       56.80111 335.4000       62.50503 73.08072 8.075011 81.30858 7.955346 -8.227859      11.33549 
1 1 1 2   23 27 o 47.34658 8.045520 115.9482       35.95341 102.4000       47.51268 134.1000       54.99578 43.65123 11.09745 49.87980 11.49955 -6.228561      15.98102 
1 1 1 2   23 28 o 45.05013 10.94283 109.6000       47.76895 109.6000       47.76895 0.000000       0.000000 45.05013 10.94283 ?        ?        ?              ?        
1 1 1 2   23 29 f 57.04532 6.977793 166.0422       38.15209 161.5000       51.86127 171.4000       56.32515 55.13279 9.977281 56.58866 10.55695 -1.455868      14.52568 
1 1 1 2   23 30 o 130.1322 7.729684 862.9000       98.01481 0.000000       0.000000 862.9000       98.01481 ?        ?        130.1322 7.729684 ?              ?        
1 1 1 2   23 31 o 100.8385 7.748958 520.8000       75.89883 0.000000       0.000000 520.8000       75.89883 ?        ?        100.8385 7.748958 ?              ?        
1 1 1 2   23 32 o 62.31596 6.500757 197.8534       39.06996 211.3000       53.67488 182.7000       56.97962 63.38476 8.895791 58.14812 10.39246 5.236633       13.67985 
1 1 1 2   23 33 o 123.0758 5.270017 758.5339       63.34090 724.8000       86.62189 797.3000       92.85804 118.9488 7.477640 124.6490 7.647510 -5.700264      10.69577 
1 1 1 2   23 34 o 53.50803 7.362962 148.7993       37.54226 118.4000       50.10812 187.7000       56.68334 45.98701 11.23046 58.76939 10.22480 -12.78238      15.18781 
1 1 1 2   23 35 o 47.41467 8.298491 119.5178       37.11171 68.35000       47.88230 196.5000       58.73162 35.44265 11.79644 59.92395 10.38940 -24.48130      15.71927 
1 1 1 2   23 36 o 58.93386 6.820841 179.8656       38.62125 165.6000       49.61553 201.8000       61.52275 55.13284 9.539078 60.14468 10.84948 -5.011837      14.44663 
1 1 1 2   23 37 o 55.30163 7.255308 160.5612       38.32722 210.8000       50.45799 92.04000       58.92814 62.78543 8.422680 39.51616 13.08445 23.26927       15.56099 
1 1 1 2   23 38 o 56.51656 7.130401 168.2004       38.56913 133.9000       48.94379 224.4000       62.64905 48.32142 10.63663 63.01733 10.52772 -14.69590      14.96565 
1 1 1 2   23 39 o 33.23318 9.876266 62.87631       34.47337 66.01000       43.63167 57.67000       56.23912 33.85454 11.26048 32.89271 12.55809 0.9618301      16.86724 
1 1 1 2   23 40 o 130.5746 5.357081 869.8275       68.32346 909.8000       94.57858 826.2000       98.80807 131.1648 7.396608 123.9435 8.190372 7.221283       11.03594 
1 1 1 2   23 41 o 53.20296 9.521443 160.2000       47.76371 160.2000       47.76371 0.000000       0.000000 53.20296 9.521443 ?        ?        ?              ?        
1 1 1 2   23 42 o 62.22338 6.474682 203.5691       38.85863 229.1000       53.92914 176.0000       56.04044 64.26910 8.803796 54.57957 10.87181 9.689529       13.98939 
1 1 1 2   23 43 o 41.72997 12.16065 110.2000       52.69785 0.000000       0.000000 110.2000       52.69785 ?        ?        41.72997 12.16065 ?              ?        
1 1 1 2   23 44 o 28.57800 9.799924 46.03143       33.05137 59.42000       44.65438 29.81000       49.15205 31.75964 11.35353 27.19477 11.27320 4.564873       15.99961 
1 1 1 2   23 45 o 45.86158 7.908271 116.7145       34.21880 145.7000       45.82196 80.17000       51.45110 49.94085 9.723576 35.49242 12.22512 14.44843       15.62055 
1 1 1 2   23 46 o 47.10904 7.494451 122.4911       33.40168 150.9000       44.89216 87.26000       49.99262 50.87558 9.359562 36.55562 12.04949 14.31996       15.25751 
1 1 1 2   23 47 o 43.32466 7.621325 104.6751       31.14052 85.72000       40.26137 132.9000       49.12945 37.07374 10.57655 46.00870 11.04870 -8.934959      15.29501 
1 1 1 2   23 48 o 26.61289 9.227606 39.96885       29.33262 51.82000       38.19482 22.93000       45.79778 29.56703 10.50775 25.29531 10.70868 4.271723       15.00295 
1 1 1 2   23 49 o 27.78766 9.249640 44.99608       29.43881 42.74000       38.23657 48.28000       46.13152 27.60516 10.39712 29.07132 11.30106 -1.466160      15.35624 
1 1 1 2   23 50 o 33.80819 11.87954 75.00000       48.70781 0.000000       0.000000 75.00000       48.70781 ?        ?        33.80819 11.87954 ?              ?        
1 1 1 2   23 51 o 24.84322 9.771096 30.32000       34.82065 0.000000       0.000000 30.32000       34.82065 ?        ?        24.84322 9.771096 ?              ?        
1 1 1 2   23 52 o 28.42671 11.17345 46.09000       45.50784 0.000000       0.000000 46.09000       45.50784 ?        ?        28.42671 11.17345 ?              ?        
1 1 1 2   23 53 o 30.05330 9.046124 54.29023       28.78125 0.000000       0.000000 54.29023       28.78125 ?        ?        30.05330 9.046124 ?              ?        
1 1 1 2   23 54 o 20.25877 8.373579 14.29746       27.01038 0.000000       0.000000 14.29746       27.01038 ?        ?        20.25877 8.373579 ?              ?        
1 1 1 2   23 55 o 49.94249 6.530901 137.3262       31.16220 0.000000       0.000000 137.3262       31.16220 ?        ?        49.94249 6.530901 ?              ?        
1 1 1 2   24 0  o 169.6602 3.858442 1411.324       64.07640 1442.508       92.32584 1382.346       89.00101 171.2742 5.514313 167.6730 5.429986 3.601242       7.739017 
1 1 1 2   24 1  o 138.8830 3.510693 946.0327       47.68699 975.4247       68.80459 918.8626       66.15273 140.8720 4.997758 136.7269 4.951141 4.145081       7.035011 
1 1 1 2   24 2  o 295.6734 5.799766 4296.323       167.8530 4371.812       240.2578 4224.346       234.6031 297.5181 8.258063 292.4711 8.203018 5.046967       11.63981 
1 1 1 2   24 3  o 146.0694 3.572938 1045.881       51.08472 1057.617       73.02630 1034.634       71.48769 146.6795 5.094053 145.0816 5.041656 1.597855       7.167125 
1 1 1 2   24 4  o 174.2705 3.891234 1489.183       66.37697 1581.991       97.36703 1408.603       90.72677 179.3578 5.552758 169.2441 5.483899 10.11374       7.804247 
1 1 1 2   24 5  o 100.0398 3.821841 491.4269       37.35530 374.2000       62.71410 555.8885       46.50530 86.82184 7.451550 106.3458 4.477635 -19.52397      8.693377 
1 1 1 2   24 6  o 219.4242 5.268292 2364.889       113.1516 2187.000       188.4212 2465.226       141.5091 210.0466 9.186697 223.7347 6.468461 -13.68805      11.23550 
1 1 1 2   24 7  o 192.3295 4.160103 1814.537       78.31701 1629.604       104.7770 2048.671       117.8936 181.9616 5.890503 204.0391 5.909199 -22.07742      8.343659 
1 1 1 2   24 8  o 134.4475 5.038717 888.9813       66.19264 837.2000       89.89684 950.3000       97.82609 130.1552 7.082985 138.6646 7.232471 -8.509384      10.12311 
1 1 1 2   24 9  o 118.7427 4.864418 693.5128       56.41875 693.5128       56.41875 0.000000       0.000000 118.7427 4.864418 ?        ?        ?              ?        
1 1 1 2   24 10 o 288.4883 6.558575 4098.361       185.2012 4413.339       238.5038 3620.000       293.9228 298.7571 8.163533 269.3416 11.17295 29.41553       13.83756 
1 1 1 2   24 11 o 167.7896 3.811742 1380.825       62.60294 1472.306       91.67715 1300.897       85.69330 172.9852 5.421037 162.5984 5.391695 10.38680       7.645785 
1 1 1 2   24 12 o 109.1618 3.271738 584.6952       34.91927 665.7311       51.66507 516.5457       47.37939 116.3552 4.545075 102.4471 4.737629 13.90811       6.565275 
1 1 1 2   24 13 o 116.8182 4.650750 671.3159       53.07265 0.000000       0.000000 671.3159       53.07265 ?        ?        116.8182 4.650750 ?              ?        
1 1 1 2   24 14 o 32.79918 5.623814 54.41182       17.40556 153.1000       47.64400 39.21203       18.69797 54.81723 9.205395 27.65442 6.923894 27.16280       11.51866 
1 1 1 2   24 15 o 108.6332 3.755957 579.7538       39.87821 572.6000       73.78809 582.7053       47.39613 107.4485 7.054870 108.8259 4.458872 -1.377449      8.345820 
1 1 1 2   24 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   24 17 o 139.4320 5.224992 958.3423       71.18449 958.1000       99.16162 958.6000       102.2495 138.9387 7.317248 138.9133 7.548245 0.2542114E-01  10.51276 
1 1 1 2   24 18 o 253.7527 7.406585 3194.531       183.7680 3556.000       277.1721 2911.000       245.4788 265.8239 10.67415 240.6115 10.44787 25.21240       14.93638 
1 1 1 2   24 19 o 168.4131 5.666581 1401.112       93.27905 1479.000       134.5323 1329.000       129.4476 172.2513 8.001031 163.2163 8.128168 9.034988       11.40542 
1 1 1 2   24 20 o 184.3467 5.928505 1681.308       106.8370 1818.000       156.1499 1561.000       146.4927 190.6864 8.386474 176.6180 8.498679 14.06842       11.93987 
1 1 1 2   24 21 o 131.7514 5.214327 858.0855       67.11217 997.5000       98.67833 738.1000       91.54452 141.4636 7.149589 121.4385 7.741714 20.02516       10.53806 
1 1 1 2   24 22 o 70.49161 5.990599 247.9303       40.94344 282.0000       56.69703 210.8000       59.18886 74.72125 7.869976 63.91935 9.769943 10.80190       12.54545 
1 1 1 2   24 23 o 102.1461 5.194106 517.2303       51.76198 640.7000       75.81033 409.4000       70.84651 113.1954 6.874573 89.98615 8.130981 23.20926       10.64766 
1 1 1 2   24 24 o 89.70827 5.358963 400.0277       46.84200 439.7000       65.42374 358.3000       67.09713 93.50124 7.203955 83.98182 8.269458 9.519417       10.96727 
1 1 1 2   24 25 o 140.2996 5.334605 977.4022       73.12620 1069.000       105.6952 893.3000       101.2783 145.7645 7.432468 133.0251 7.812549 12.73944       10.78320 
1 1 1 2   24 26 o 57.31615 9.353036 171.7000       50.66507 171.7000       50.66507 0.000000       0.000000 57.31615 9.353036 ?        ?        ?              ?        
1 1 1 2   24 27 f 95.26417 7.295110 460.1000       67.50734 460.1000       67.50734 0.000000       0.000000 95.26417 7.295110 ?        ?        ?              ?        
1 1 1 2   24 28 o 35.22783 9.734744 66.30983       34.68292 91.66000       46.44069 34.34000       52.15288 41.01896 11.23694 30.49320 11.96874 10.52575       16.41705 
1 1 1 2   24 29 o 55.59823 10.96451 167.7000       57.54882 0.000000       0.000000 167.7000       57.54882 ?        ?        55.59823 10.96451 ?              ?        
1 1 1 2   24 30 o 35.87838 9.848195 69.54736       35.63063 30.94000       47.93854 117.2000       53.25903 29.05240 11.45311 45.88029 11.79478 -16.82789      16.44052 
1 1 1 2   24 31 o 58.96892 6.789501 178.1541       38.47484 173.1000       52.53699 184.0000       56.50244 56.80424 9.802981 58.36996 10.26395 -1.565723      14.19321 
1 1 1 2   24 32 f 76.29346 5.756520 293.8384       42.67149 248.1000       57.07645 351.8000       64.25203 68.74377 8.675180 82.35773 8.073968 -13.61396      11.85106 
1 1 1 2   24 33 o 87.99168 5.477200 390.0518       46.94049 463.0000       66.89708 319.3000       65.88231 94.90543 7.256309 77.83402 8.801811 17.07141       11.40727 
1 1 1 2   24 34 o 69.35258 6.094690 245.0197       40.95296 258.2000       54.83799 228.4000       61.57880 70.16850 8.134783 64.86346 10.02161 5.305038       12.90765 
1 1 1 2   24 35 o 82.91124 5.558152 348.4577       44.84706 281.2000       57.72120 450.9000       71.23670 72.95390 8.226425 92.78223 7.919555 -19.82832      11.41899 
1 1 1 2   24 36 o 44.93522 8.669117 110.0079       36.74854 92.97000       47.28304 136.0000       58.40059 39.99813 11.47817 47.84861 12.37688 -7.850487      16.88003 
1 1 1 2   24 37 o 52.62876 7.531227 147.4432       37.69207 112.0000       48.08942 203.9000       60.69336 43.72309 11.19077 59.77164 10.76993 -16.04855      15.53141 
1 1 1 2   24 38 o 42.07057 8.773598 98.39587       34.95802 139.2000       45.73086 41.03000       54.22308 49.59868 9.767350 30.14746 12.08370 19.45122       15.53760 
1 1 1 2   24 39 o 22.42614 9.093859 16.75893       31.10295 45.01000       38.19849 -38.82000      53.57767 29.07962 10.48783 21.21342 9.991078 7.866192       14.48503 
1 1 1 2   24 40 o 50.27069 9.589615 143.8000       45.46563 143.8000       45.46563 0.000000       0.000000 50.27069 9.589615 ?        ?        ?              ?        
1 1 1 2   24 41 o 47.69501 8.042824 124.9472       36.21388 105.2000       49.44357 147.8000       53.18968 41.29226 11.70109 49.56445 11.22509 -8.272190      16.21475 
1 1 1 2   24 42 o 30.48540 11.80903 49.77000       50.23613 0.000000       0.000000 49.77000       50.23613 ?        ?        30.48540 11.80903 ?              ?        
1 1 1 2   24 43 o 55.97399 6.832125 167.6022       36.65765 149.7000       49.52272 189.3000       54.52039 50.17752 10.42397 56.81476 10.17753 -6.637234      14.56850 
1 1 1 2   24 44 o 28.29790 9.617946 45.42481       31.82192 16.21000       41.46626 87.28000       49.63271 23.97325 10.17110 36.96112 11.99532 -12.98787      15.72701 
1 1 1 2   24 45 o 49.47684 7.318064 134.2296       34.37321 160.1000       46.34545 102.6000       51.24512 52.42510 9.375733 39.50457 12.10798 12.92053       15.31364 
1 1 1 2   24 46 o 41.90674 8.109587 99.63019       32.06243 103.1000       41.95722 94.76000       49.70800 40.83102 10.45420 37.87156 11.97572 2.959469       15.89680 
1 1 1 2   24 47 o 37.31131 8.674841 81.09361       31.07951 88.73000       41.26208 71.08000       47.25008 37.57193 10.70343 33.30518 11.70061 4.266750       15.85774 
1 1 1 2   24 48 o 50.51366 7.006664 139.6897       33.71228 164.5000       44.95258 107.8000       50.96400 53.22063 8.946215 40.11555 12.02915 13.10508       14.99117 
1 1 1 2   24 49 f 51.60682 9.245594 156.8000       44.98801 156.8000       44.98801 0.000000       0.000000 51.60682 9.245594 ?        ?        ?              ?        
1 1 1 2   24 50 o 18.94483 8.185493 4.877477       27.76816 0.000000       0.000000 4.877477       27.76816 ?        ?        18.94483 8.185493 ?              ?        
1 1 1 2   24 51 o 31.09105 11.54707 61.44000       46.82647 0.000000       0.000000 61.44000       46.82647 ?        ?        31.09105 11.54707 ?              ?        
1 1 1 2   24 52 o 22.28657 9.431419 15.69000       35.50237 0.000000       0.000000 15.69000       35.50237 ?        ?        22.28657 9.431419 ?              ?        
1 1 1 2   24 53 f 23.44712 8.895610 28.65833       28.10826 0.000000       0.000000 28.65833       28.10826 ?        ?        23.44712 8.895610 ?              ?        
1 1 1 2   24 54 f 30.54598 8.909399 57.19259       28.27517 0.000000       0.000000 57.19259       28.27517 ?        ?        30.54598 8.909399 ?              ?        
1 1 1 2   24 55 o 32.36416 8.693729 64.27630       28.12312 0.000000       0.000000 64.27630       28.12312 ?        ?        32.36416 8.693729 ?              ?        
1 1 1 2   25 0  o 172.8309 4.504773 1467.117       76.14301 1578.000       139.4408 1420.006       90.89028 178.5764 7.997664 169.8871 5.472906 8.689316       9.690992 
1 1 1 2   25 1  o 86.48545 3.442195 367.2648       29.08147 349.8864       41.71476 383.6978       40.56420 84.24574 5.082296 88.27934 4.711437 -4.033607      6.930179 
1 1 1 2   25 2  o 229.7051 4.723261 2590.615       106.1986 2644.004       152.5741 2540.440       147.9096 231.5827 6.737991 227.0163 6.663515 4.566376       9.476441 
1 1 1 2   25 3  o 351.7178 6.796875 6094.593       233.9968 6853.602       358.7037 5532.330       308.7328 371.4908 9.873401 333.9428 9.454568 37.54800       13.67015 
1 1 1 2   25 4  o 164.9454 3.807613 1334.349       61.47511 1301.973       86.34985 1367.623       87.54023 162.6662 5.430845 166.7309 5.370965 -4.064697      7.638151 
1 1 1 2   25 5  o 135.3732 3.515014 899.1190       46.53699 792.9591       63.33563 1023.683       68.60638 126.9442 5.107597 144.2946 4.864404 -17.35036      7.053366 
1 1 1 2   25 6  o 162.6620 4.374141 1299.555       69.58101 1164.000       116.2142 1375.302       86.87305 153.3406 7.768068 167.1989 5.314928 -13.85831      9.412297 
1 1 1 2   25 7  o 270.2509 6.227258 3595.599       164.7291 3393.000       276.2284 3707.416       205.2126 260.7599 10.84602 273.9036 7.661732 -13.14368      13.27924 
1 1 1 2   25 8  o 235.2915 5.550235 2722.736       127.8274 2949.799       165.4023 2386.000       201.4245 244.4818 6.918722 219.0706 9.415362 25.41115       11.68408 
1 1 1 2   25 9  o 93.08978 4.912645 426.9715       44.60499 426.9715       44.60499 0.000000       0.000000 93.08978 4.912645 ?        ?        ?              ?        
1 1 1 2   25 10 o 191.7285 5.932081 1811.611       111.1929 2071.000       166.9913 1605.000       149.0369 204.3223 8.367419 179.7924 8.492699 24.52995       11.92223 
1 1 1 2   25 11 o 215.9148 6.306126 2299.691       133.1330 2463.000       196.8412 2162.000       180.7441 222.5370 9.055567 208.5397 8.874895 13.99730       12.67939 
1 1 1 2   25 12 o 101.2290 3.652707 503.4175       36.13377 516.8000       60.29625 495.9185       45.13639 102.2349 6.052469 100.3589 4.607068 1.875977       7.606409 
1 1 1 2   25 13 o 152.8616 3.603763 1146.532       53.92134 1163.000       111.9941 1141.563       61.52141 153.1281 7.494716 152.4139 4.127581 0.7142334      8.556149 
1 1 1 2   25 14 o 145.5153 4.122206 1040.853       58.65524 1151.000       108.8739 995.8095       69.62301 152.3276 7.323405 142.1806 5.010554 10.14706       8.873439 
1 1 1 2   25 15 f 147.7321 3.492438 1071.089       50.50214 1239.000       114.5129 1030.546       56.26988 157.9570 7.427231 144.7964 3.973954 13.16064       8.423543 
1 1 1 2   25 16 o 68.58923 3.379263 231.4462       22.61753 0.000000       0.000000 231.4462       22.61753 ?        ?        68.58923 3.379263 ?              ?        
1 1 1 2   25 17 o 93.87733 5.227294 435.7669       47.84380 500.1000       69.12257 376.6000       66.28904 100.1764 7.095251 86.66282 7.901334 13.51354       10.61949 
1 1 1 2   25 18 o 87.46392 5.359212 378.8857       45.66107 410.4000       64.69241 347.6000       64.45724 90.58138 7.359747 83.14197 8.019773 7.439415       10.88497 
1 1 1 2   25 19 o 64.25867 6.258868 206.4683       38.86883 179.3000       52.69138 238.9000       57.56964 59.02320 9.438145 68.51164 8.786681 -9.488438      12.89513 
1 1 1 2   25 20 o 74.26842 5.782230 274.7029       41.70348 270.2000       57.50098 279.7000       60.57421 73.02653 8.184979 74.22002 8.490592 -1.193497      11.79339 
1 1 1 2   25 21 o 113.0427 5.124877 632.9766       56.55892 606.2000       76.64015 665.0000       83.81306 109.9962 7.157099 115.1072 7.479298 -5.111008      10.35200 
1 1 1 2   25 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   25 23 o 82.95058 5.468104 342.7897       44.15027 325.2000       59.97361 363.6000       65.23329 80.07699 7.748181 84.62811 7.968756 -4.551125      11.11465 
1 1 1 2   25 24 o 58.50175 6.753472 173.4218       37.96340 175.0000       51.23223 171.5000       56.53537 57.90239 9.358496 56.85808 10.54655 1.044312       14.10004 
1 1 1 2   25 25 o 122.0789 7.263547 753.1000       86.40279 753.1000       86.40279 0.000000       0.000000 122.0789 7.263547 ?        ?        ?              ?        
1 1 1 2   25 26 o 37.42612 9.578105 74.99718       35.23053 27.07000       45.22206 149.0000       56.19318 28.12374 11.11242 52.34047 11.29973 -24.21673      15.84834 
1 1 1 2   25 27 o 23.80606 9.551513 16.41890       33.91432 41.91000       44.58323 -18.59000      52.24762 30.54618 11.28131 23.71690 10.68380 6.829285       15.53743 
1 1 1 2   25 28 o 81.55040 8.506757 344.8000       66.90688 0.000000       0.000000 344.8000       66.90688 ?        ?        81.55040 8.506757 ?              ?        
1 1 1 2   25 29 o 78.81755 5.676520 312.6803       43.50032 302.4000       59.02737 324.9000       64.35480 76.47746 8.003603 79.06376 8.446348 -2.586304      11.63608 
1 1 1 2   25 30 o 37.28870 9.571162 75.51605       35.10800 42.06000       46.81805 118.5000       53.06756 30.62772 11.51143 45.96459 11.75112 -15.33687      16.44998 
1 1 1 2   25 31 o 86.80623 5.483785 379.2688       46.35667 353.5000       62.40259 411.0000       69.24676 82.63438 7.807565 89.00870 8.034464 -6.374313      11.20315 
1 1 1 2   25 32 o 80.87958 5.581958 330.3416       43.91973 295.9000       58.22724 375.8000       66.89462 75.30208 8.023156 84.86047 8.153627 -9.558388      11.43909 
1 1 1 2   25 33 o 78.94502 5.538313 315.2292       42.52501 310.4000       55.49245 322.1000       66.19106 77.35748 7.419523 77.92405 8.833696 -0.5665665     11.53618 
1 1 1 2   25 34 o 69.52616 6.006742 247.1331       40.47783 256.9000       53.36418 233.9000       62.11600 69.81239 7.950808 65.24306 10.04874 4.569328       12.81376 
1 1 1 2   25 35 f 47.41109 8.311323 121.4768       37.16520 141.9000       47.48083 89.17000       59.71774 50.35120 9.986673 38.81407 13.17583 11.53713       16.53288 
1 1 1 2   25 36 o 35.50987 9.745712 71.65739       34.89565 58.34000       43.66047 95.21000       58.06284 32.39427 11.25648 39.52740 12.98355 -7.133129      17.18374 
1 1 1 2   25 37 o 41.65635 8.675748 96.37832       34.22428 118.2000       43.91658 62.63000       54.61481 45.33348 10.15016 33.51217 12.46582 11.82131       16.07552 
1 1 1 2   25 38 o 40.75568 10.57161 97.85000       42.52684 97.85000       42.52684 0.000000       0.000000 40.75568 10.57161 ?        ?        ?              ?        
1 1 1 2   25 39 o 112.0548 5.458735 643.8668       59.69253 740.2000       80.89312 528.7000       88.44782 118.4427 7.008791 97.27920 9.406025 21.16348       11.73015 
1 1 1 2   25 40 o 31.47703 9.978045 57.23742       34.48883 93.90000       48.10797 18.47000       49.46967 38.99623 11.68579 25.95175 11.06342 13.04449       16.09214 
1 1 1 2   25 41 o 40.21721 9.522093 94.03120       36.90066 112.7000       53.59924 77.21000       50.87787 42.05252 12.26693 35.28651 12.15672 6.766003       17.27031 
1 1 1 2   25 42 o 41.11212 8.853938 96.68342       34.57574 62.99000       46.10181 140.0000       52.27241 32.42212 11.54200 47.60794 11.37346 -15.18582      16.20411 
1 1 1 2   25 43 o 48.80656 7.567843 130.7717       34.98416 139.1000       46.58500 120.0000       52.97975 48.36943 10.16297 43.17923 12.06915 5.190197       15.77816 
1 1 1 2   25 44 o 30.06475 9.543371 53.35358       31.54011 25.20000       41.83727 90.42000       48.00504 25.16372 10.41312 37.35211 11.76321 -12.18838      15.71006 
1 1 1 2   25 45 o 35.19034 8.949059 72.95748       30.89076 73.78000       40.85826 71.86000       47.19623 34.24411 10.86105 33.49092 11.69924 0.7531853      15.96354 
1 1 1 2   25 46 o 37.68008 8.654689 82.75380       31.24729 67.20000       40.76932 104.9000       48.64798 32.71642 10.88493 39.97505 11.69385 -7.258633      15.97585 
1 1 1 2   25 47 o 36.22742 8.937704 77.70356       31.49493 62.22000       41.37344 99.04000       48.56765 31.53856 10.95778 38.61844 11.77802 -7.079878      16.08710 
1 1 1 2   25 48 o 19.88110 8.944397 -3.840000      36.48679 -3.840000      36.48679 0.000000       0.000000 19.88110 8.944397 ?        ?        ?              ?        
1 1 1 2   25 49 o 19.32130 9.076097 -25.44000      43.70519 0.000000       0.000000 -25.44000      43.70519 ?        ?        19.32130 9.076097 ?              ?        
1 1 1 2   25 50 o 31.26566 11.55642 62.50000       46.80075 0.000000       0.000000 62.50000       46.80075 ?        ?        31.26566 11.55642 ?              ?        
1 1 1 2   25 51 o 23.25879 8.834994 27.47453       27.74716 0.000000       0.000000 27.47453       27.74716 ?        ?        23.25879 8.834994 ?              ?        
1 1 1 2   25 52 o 27.75594 9.045600 46.17707       28.20817 0.000000       0.000000 46.17707       28.20817 ?        ?        27.75594 9.045600 ?              ?        
1 1 1 2   25 53 o 23.75903 9.627374 27.11000       34.83051 0.000000       0.000000 27.11000       34.83051 ?        ?        23.75903 9.627374 ?              ?        
1 1 1 2   25 54 o 18.61194 8.023415 6.736079       26.56096 0.000000       0.000000 6.736079       26.56096 ?        ?        18.61194 8.023415 ?              ?        
1 1 1 2   26 0  o 85.16098 3.486470 356.2608       29.00104 414.5000       64.60934 341.5659       32.45423 91.33897 7.286961 83.33449 3.990286 8.004486       8.307959 
1 1 1 2   26 1  o 185.5056 4.082805 1688.929       74.13475 1771.317       108.8692 1617.695       101.2317 189.6027 5.873250 181.2192 5.714118 8.383484       8.194278 
1 1 1 2   26 2  o 95.44276 3.373074 447.2392       31.46239 429.4468       45.27332 463.8580       43.75463 93.34676 4.972867 97.06971 4.618292 -3.722946      6.786606 
1 1 1 2   26 3  o 102.9339 3.368379 520.1147       33.89224 578.0101       50.73817 473.4678       45.54329 108.3566 4.795681 98.05298 4.759448 10.30364       6.756546 
1 1 1 2   26 4  o 217.2793 4.547124 2318.830       96.70776 2244.730       134.6329 2397.818       139.0026 213.2969 6.455956 220.4586 6.448468 -7.161667      9.124807 
1 1 1 2   26 5  o 405.0808 7.760228 8116.117       307.6964 8824.521       461.3741 7548.639       412.9401 419.8368 11.23717 388.5628 10.86792 31.27396       15.63284 
1 1 1 2   26 6  o 188.6846 4.125035 1747.757       76.18516 1623.923       104.2210 1889.864       111.6460 181.4989 5.874183 195.8214 5.831239 -14.32249      8.277040 
1 1 1 2   26 7  o 171.3006 5.470822 1445.551       91.61369 1500.000       134.9453 1399.000       124.7743 173.8765 7.949896 168.0054 7.607179 5.871048       11.00318 
1 1 1 2   26 8  o 110.8776 4.678305 605.2590       50.65955 631.7000       77.80486 585.8000       66.74661 112.8546 7.079041 108.8152 6.293471 4.039337       9.472096 
1 1 1 2   26 9  f 168.0258 3.841321 1385.800       63.17755 1497.419       93.53635 1292.158       85.67362 174.3113 5.488963 161.9275 5.412915 12.38383       7.708980 
1 1 1 2   26 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   26 11 o 46.35434 5.153750 107.0511       22.98920 52.21000       36.74990 142.3089       29.46663 32.49833 10.29970 53.43401 5.722903 -20.93568      11.78285 
1 1 1 2   26 12 o 73.03870 3.833657 262.6909       27.31174 297.0000       45.97462 243.9795       33.95209 77.32829 6.123950 70.23132 4.971013 7.096962       7.887569 
1 1 1 2   26 13 o 104.8480 4.250133 541.3063       43.52790 0.000000       0.000000 541.3063       43.52790 ?        ?        104.8480 4.250133 ?              ?        
1 1 1 2   26 14 o 163.7452 4.259361 1319.425       68.21037 1319.000       123.4955 1319.611       81.82379 162.6911 7.777513 163.5597 5.117192 -0.8685913     9.309960 
1 1 1 2   26 15 o 136.8485 3.988098 921.4366       53.36403 976.1000       99.04077 899.0752       63.34549 140.0092 7.251598 135.0153 4.800851 4.993866       8.696773 
1 1 1 2   26 16 o 82.57650 2.912421 335.0070       23.50370 343.2000       59.51796 333.4933       25.58299 82.72684 7.429168 82.35928 3.179429 0.3675613      8.080922 
1 1 1 2   26 17 o 175.5166 5.463818 1524.118       93.75433 1534.000       139.6062 1516.000       126.5330 174.9250 8.176167 174.2514 7.435681 0.6735687      11.05165 
1 1 1 2   26 18 o 104.1653 5.114167 537.3366       51.98456 553.0000       72.97633 521.2000       74.07042 105.1002 7.136009 101.9078 7.477656 3.192429       10.33625 
1 1 1 2   26 19 o 73.33176 5.708331 268.1055       40.65137 270.5000       55.81293 265.4000       59.32734 73.04778 7.933113 72.14343 8.568578 0.9043503      11.67711 
1 1 1 2   26 20 o 65.07682 6.165304 212.4201       38.80402 252.8000       53.38852 167.2000       56.49774 70.54162 7.865747 56.29095 10.64367 14.25067       13.23471 
1 1 1 2   26 21 o 103.1058 5.171990 527.9999       52.03052 588.4000       73.61283 467.7000       73.55175 108.2211 6.986540 96.08637 7.889762 12.13474       10.53850 
1 1 1 2   26 22 o 60.77383 6.642662 186.7869       38.87251 204.4000       52.71833 165.8000       57.54649 62.88107 8.806261 55.73335 10.93941 7.147720       14.04354 
1 1 1 2   26 23 o 104.2449 5.239881 541.1569       53.29516 564.9000       73.28210 514.5000       77.64878 105.7539 7.120890 100.5172 7.956880 5.236702       10.67797 
1 1 1 2   26 24 o 107.1285 7.166190 581.3000       74.71275 581.3000       74.71275 0.000000       0.000000 107.1285 7.166190 ?        ?        ?              ?        
1 1 1 2   26 25 o 147.9176 5.462366 1092.466       78.95151 1160.000       112.1018 1026.000       111.2121 151.0378 7.607135 141.7062 8.050961 9.331604       11.07639 
1 1 1 2   26 26 o 91.54296 5.421789 419.6135       48.36423 418.3000       66.37733 421.1000       70.61378 90.44471 7.567034 90.49339 8.056114 -0.4868317E-01 11.05265 
1 1 1 2   26 27 o 50.16117 11.79673 140.1000       56.94260 0.000000       0.000000 140.1000       56.94260 ?        ?        50.16117 11.79673 ?              ?        
1 1 1 2   26 28 o 51.47897 7.761858 138.2377       37.89655 161.1000       51.52696 111.3000       55.93117 54.63554 10.00356 44.37247 12.40007 10.26307       15.93214 
1 1 1 2   26 29 o 67.91701 6.242433 234.5300       41.03525 202.2000       53.80037 279.5000       63.45183 61.69761 9.188524 72.74886 9.109876 -11.05126      12.93904 
1 1 1 2   26 30 o 67.15280 6.255717 229.8555       40.64647 240.3000       55.01346 217.3000       60.31758 67.57776 8.504784 63.36341 10.06111 4.214344       13.17411 
1 1 1 2   26 31 o 68.24412 6.049462 237.1500       39.99175 287.7000       53.60520 173.7000       60.05682 74.50048 7.450771 55.61296 11.41542 18.88752       13.63180 
1 1 1 2   26 32 o 71.17921 5.807769 257.7576       40.11257 236.0000       51.29704 292.0000       64.35307 66.97924 7.981124 73.86002 9.093024 -6.880775      12.09882 
1 1 1 2   26 33 o 28.22298 9.765723 40.99462       32.84614 40.58000       41.28134 41.71000       54.22517 29.06699 10.83287 30.85396 12.17550 -1.786963      16.29705 
1 1 1 2   26 34 o 34.53424 9.778905 67.19262       34.54605 36.87000       42.87663 123.3000       58.32399 28.39795 10.93392 45.12773 12.68110 -16.72978      16.74398 
1 1 1 2   26 35 o 42.28976 8.784872 99.26015       35.17476 106.7000       44.27589 86.53000       57.91646 42.81923 10.61672 37.81808 12.97252 5.001148       16.76309 
1 1 1 2   26 36 o 82.76373 5.467051 350.6108       44.04129 337.0000       56.81659 371.1000       69.70995 79.74110 7.362338 82.42327 8.775255 -2.682167      11.45465 
1 1 1 2   26 37 o 56.58598 8.368987 175.5000       44.95782 175.5000       44.95782 0.000000       0.000000 56.58598 8.368987 ?        ?        ?              ?        
1 1 1 2   26 38 o 35.30646 9.344419 71.73678       32.79240 78.80000       41.61726 60.17000       53.25720 36.28745 10.86772 32.60233 12.27241 3.685120       16.39266 
1 1 1 2   26 39 o 45.04790 11.93080 126.4000       53.43416 0.000000       0.000000 126.4000       53.43416 ?        ?        45.04790 11.93080 ?              ?        
1 1 1 2   26 40 o 25.14745 9.726790 29.60053       34.04431 24.34000       47.59896 35.11000       48.71218 26.26475 11.00632 27.96358 11.36541 -1.698822      15.82124 
1 1 1 2   26 41 o 27.60757 9.768695 42.12245       32.97975 30.49000       44.65580 56.08000       48.91554 26.63055 10.86010 31.19397 11.75735 -4.563425      16.00553 
1 1 1 2   26 42 o 41.13234 8.744706 96.97806       34.12224 104.7000       45.35786 86.91000       51.79196 41.04958 11.04692 36.64955 12.27008 4.400032       16.51028 
1 1 1 2   26 43 o 56.57619 6.718332 172.3924       36.47943 223.9000       49.82864 112.9000       53.55177 63.17487 8.255325 41.17912 12.32676 21.99575       14.83575 
1 1 1 2   26 44 o 46.02632 7.490133 117.6000       32.58519 108.9000       42.57725 129.9000       50.62557 41.98834 10.41129 44.96765 11.46764 -2.979305      15.48876 
1 1 1 2   26 45 o 25.45835 9.208001 35.50616       29.47061 35.02000       38.31992 36.21000       46.10779 26.15556 10.26142 27.12932 11.04585 -0.9737644     15.07672 
1 1 1 2   26 46 o 31.46380 9.416708 59.72252       31.25403 8.009000       40.93546 132.0000       48.39484 22.33518 9.789742 45.63469 10.97019 -23.29951      14.70320 
1 1 1 2   26 47 o 32.16817 10.83740 65.50000       40.39877 65.50000       40.39877 0.000000       0.000000 32.16817 10.83740 ?        ?        ?              ?        
1 1 1 2   26 48 o 36.83189 8.830448 80.34957       31.42254 93.52000       41.88257 63.39000       47.52705 38.24079 10.74616 31.51567 11.64630 6.725119       15.84665 
1 1 1 2   26 49 o 37.34751 11.90211 94.80000       49.01746 0.000000       0.000000 94.80000       49.01746 ?        ?        37.34751 11.90211 ?              ?        
1 1 1 2   26 50 o 55.92295 6.154572 168.0309       33.13316 0.000000       0.000000 168.0309       33.13316 ?        ?        55.92295 6.154572 ?              ?        
1 1 1 2   26 51 o 25.74743 9.020494 38.40857       28.07027 0.000000       0.000000 38.40857       28.07027 ?        ?        25.74743 9.020494 ?              ?        
1 1 1 2   26 52 o 24.61353 8.891564 34.51333       27.46933 0.000000       0.000000 34.51333       27.46933 ?        ?        24.61353 8.891564 ?              ?        
1 1 1 2   26 53 o 20.00266 8.321284 14.11676       26.91575 0.000000       0.000000 14.11676       26.91575 ?        ?        20.00266 8.321284 ?              ?        
1 1 1 2   27 0  o 131.1875 3.505349 845.0057       44.97184 825.8000       90.83955 851.2411       51.75996 129.0145 7.222162 131.6041 4.022800 -2.589569      8.266955 
1 1 1 2   27 1  o 120.8346 3.461509 716.9341       40.89925 613.8000       79.87675 753.5812       47.61442 111.1318 7.384933 123.8288 3.933342 -12.69700      8.367103 
1 1 1 2   27 2  o 201.4879 4.317050 1994.551       85.14170 2099.576       124.7666 1903.017       116.4775 206.2171 6.188122 196.3515 6.067684 9.865601       8.666582 
1 1 1 2   27 3  o 62.87605 4.041293 194.9387       24.74036 186.0709       36.28735 202.6412       33.81920 61.11731 6.149246 63.91955 5.457502 -2.802242      8.221773 
1 1 1 2   27 4  o 308.9221 7.014078 4719.554       212.0927 5089.862       273.4097 4160.000       336.0884 319.7828 8.742997 286.9581 11.99187 32.82468       14.84066 
1 1 1 2   27 5  o 134.6228 3.527923 889.9858       46.44828 799.6943       63.71163 992.4183       67.86003 127.3635 5.120988 141.9480 4.891341 -14.58445      7.081648 
1 1 1 2   27 6  o 89.16030 3.879066 391.1006       33.77260 434.6140       44.56545 332.4000       51.76167 93.86315 4.867242 81.77285 6.520833 12.09030       8.137033 
1 1 1 2   27 7  o 108.5882 3.365267 579.1505       35.72595 633.0084       52.92634 534.0699       48.42186 113.3291 4.781911 104.0821 4.765550 9.246925       6.751084 
1 1 1 2   27 8  o 119.0539 3.902086 696.9740       45.41083 777.8000       84.77991 664.4552       53.77553 125.1525 6.947923 116.1087 4.741639 9.043839       8.411705 
1 1 1 2   27 9  o 59.78995 5.525640 177.7686       31.97258 0.000000       0.000000 177.7686       31.97258 ?        ?        59.78995 5.525640 ?              ?        
1 1 1 2   27 10 o 75.68119 3.473768 281.7976       25.66464 281.6683       37.13490 281.9159       35.51015 75.44291 5.057946 75.51292 4.829558 -0.7001495E-01 6.993386 
1 1 1 2   27 11 o 145.1259 4.164859 1036.560       59.10195 1067.143       72.52571 976.1000       101.9725 147.0623 5.045778 139.9590 7.470547 7.103333       9.014930 
1 1 1 2   27 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   27 13 o 35.26957 5.582908 62.93288       18.63281 60.01000       48.18848 63.44670       20.20430 35.15948 11.83617 35.32176 6.062023 -0.1622810     13.29824 
1 1 1 2   27 14 o 95.28061 3.575402 446.8287       33.28622 0.000000       0.000000 446.8287       33.28622 ?        ?        95.28061 3.575402 ?              ?        
1 1 1 2   27 15 o 70.19699 3.449973 242.7726       23.63241 207.6000       53.24156 251.4027       26.37280 63.70902 8.770211 71.38884 3.787710 -7.679821      9.553185 
1 1 1 2   27 16 o 86.47774 2.960925 367.6681       25.02632 420.8000       62.29376 357.4421       27.32874 91.61111 6.999896 85.22083 3.282316 6.390274       7.731245 
1 1 1 2   27 17 o 105.8157 3.043319 550.5427       31.48852 487.9000       69.99058 566.4396       35.25832 98.50970 7.310735 107.2794 3.361827 -8.769722      8.046659 
1 1 1 2   27 18 o 86.61348 5.363690 373.2282       45.25008 332.6000       60.82000 423.6000       67.72143 81.01431 7.764630 91.56151 7.625419 -10.54720      10.88285 
1 1 1 2   27 19 o 104.8034 5.181845 545.6925       52.99282 510.3000       71.32635 589.3000       79.17261 100.6041 7.292672 108.0426 7.533613 -7.438499      10.48515 
1 1 1 2   27 20 o 155.6607 5.556623 1206.089       84.52764 1277.000       120.3253 1137.000       118.7701 158.9255 7.758389 149.7018 8.135967 9.223633       11.24218 
1 1 1 2   27 21 o 69.81986 6.163217 245.3879       41.68839 226.6000       55.16671 270.4000       63.65214 66.15810 8.731977 72.14067 9.224994 -5.982567      12.70228 
1 1 1 2   27 22 o 111.7729 7.226110 633.1000       78.63458 633.1000       78.63458 0.000000       0.000000 111.7729 7.226110 ?        ?        ?              ?        
1 1 1 2   27 23 o 88.96185 7.504606 403.7000       64.73996 403.7000       64.73996 0.000000       0.000000 88.96185 7.504606 ?        ?        ?              ?        
1 1 1 2   27 24 o 63.83539 6.466381 206.9547       39.84771 197.6000       52.92319 219.2000       60.55009 61.30456 9.094895 64.20979 9.956170 -2.905235      13.48490 
1 1 1 2   27 25 o 31.58695 12.16757 41.89000       53.11573 0.000000       0.000000 41.89000       53.11573 ?        ?        31.58695 12.16757 ?              ?        
1 1 1 2   27 26 o 29.10995 11.82048 26.61000       52.63447 0.000000       0.000000 26.61000       52.63447 ?        ?        29.10995 11.82048 ?              ?        
1 1 1 2   27 27 f 80.05855 5.730497 323.3711       44.60920 349.5000       61.07915 293.5000       65.30669 82.29721 7.670649 74.56316 9.138880 7.734055       11.93139 
1 1 1 2   27 28 o 38.96388 9.475358 82.77483       35.78457 146.0000       48.12653 4.598000       53.51538 51.87333 9.838264 26.24891 11.35245 25.62442       15.02230 
1 1 1 2   27 29 o 53.28405 7.361965 147.9785       37.37214 148.6000       48.83292 147.1000       58.06136 52.17849 9.923807 50.85528 11.87961 1.323215       15.47925 
1 1 1 2   27 30 o 33.67750 9.785427 62.19322       34.16697 69.14000       43.87545 51.49000       54.46117 35.35947 11.25964 32.75816 12.39279 2.601311       16.74397 
1 1 1 2   27 31 o 91.44121 5.358291 422.8598       47.74931 456.1000       63.95704 381.0000       71.77208 93.92460 7.007186 84.51417 8.804970 9.410431       11.25292 
1 1 1 2   27 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   27 33 o 41.85059 8.814471 96.83227       34.96562 92.94000       43.88320 103.6000       57.86532 39.94342 10.91540 41.20025 12.90650 -1.256836      16.90337 
1 1 1 2   27 34 o 76.73199 5.712940 302.5769       42.60051 299.9000       55.25505 306.5000       66.89146 75.02499 7.630240 74.35300 9.400841 0.6719818      12.10770 
1 1 1 2   27 35 o 59.56582 6.382010 185.5774       36.63071 201.8000       47.43049 161.6000       57.66307 60.96437 8.152484 51.87986 11.64190 9.084511       14.21256 
1 1 1 2   27 36 o 55.53356 8.588406 170.5000       45.17957 170.5000       45.17957 0.000000       0.000000 55.53356 8.588406 ?        ?        ?              ?        
1 1 1 2   27 37 o 34.72292 9.300879 69.49975       32.24449 60.03000       41.31834 84.25000       51.56719 32.10139 10.95859 36.82100 12.24157 -4.719604      16.43005 
1 1 1 2   27 38 f 56.57464 10.32197 187.0000       55.05428 0.000000       0.000000 187.0000       55.05428 ?        ?        56.57464 10.32197 ?              ?        
1 1 1 2   27 39 f 49.99146 7.797509 137.4115       36.91091 137.8000       51.46596 137.0000       52.96618 47.34452 11.26905 46.90071 11.60219 0.4438095      16.17412 
1 1 1 2   27 40 o 19.65510 8.651012 0.1429767      32.27095 6.482000       43.69749 -7.462000      47.86237 23.07499 10.11430 22.32887 10.12581 0.7461185      14.31192 
1 1 1 2   27 41 o 40.79567 8.785991 95.74672       34.04638 66.61000       44.56311 136.6000       52.76777 32.88956 11.37523 46.46830 11.62995 -13.57874      16.26812 
1 1 1 2   27 42 o 84.39305 5.402255 370.3687       44.39166 404.8000       60.99809 331.6000       64.72624 86.20895 7.297135 76.23975 8.836945 9.969208       11.46036 
1 1 1 2   27 43 o 25.75222 9.253370 36.58502       29.70324 36.80000       38.78269 36.28000       46.19674 26.55497 10.35084 27.18581 11.06110 -0.6308346     15.14886 
1 1 1 2   27 44 o 25.99511 9.269181 37.81481       29.74465 47.75000       38.98853 23.98000       46.00821 28.58757 10.55121 25.30892 10.72469 3.278646       15.04483 
1 1 1 2   27 45 o 36.86510 9.003143 80.80687       32.20246 94.94000       43.05913 62.87000       48.50867 38.45743 10.92686 31.50636 11.74274 6.951073       16.04021 
1 1 1 2   27 46 o 25.29846 10.19057 30.69000       38.76778 30.69000       38.76778 0.000000       0.000000 25.29846 10.19057 ?        ?        ?              ?        
1 1 1 2   27 47 o 21.65798 8.731158 19.18600       28.48383 -19.35000      35.99315 83.76000       46.59244 17.97332 8.375325 35.43878 11.63007 -17.46547      14.33194 
1 1 1 2   27 48 o 30.14295 11.57706 56.26000       47.98604 0.000000       0.000000 56.26000       47.98604 ?        ?        30.14295 11.57706 ?              ?        
1 1 1 2   27 49 o 18.29729 7.943175 3.833558       26.39902 0.000000       0.000000 3.833558       26.39902 ?        ?        18.29729 7.943175 ?              ?        
1 1 1 2   27 50 o 16.83884 7.623841 -6.528605      27.00038 0.000000       0.000000 -6.528605      27.00038 ?        ?        16.83884 7.623841 ?              ?        
1 1 1 2   27 51 o 23.76525 8.843640 30.96824       27.49240 0.000000       0.000000 30.96824       27.49240 ?        ?        23.76525 8.843640 ?              ?        
1 1 1 2   27 52 o 30.70458 8.861859 58.36309       28.10827 0.000000       0.000000 58.36309       28.10827 ?        ?        30.70458 8.861859 ?              ?        
1 1 1 2   28 0  f 134.6914 3.537858 891.4045       46.60262 837.9000       92.92619 909.3826       53.86609 129.7313 7.347952 135.9605 4.052113 -6.229141      8.391188 
1 1 1 2   28 1  o 173.9637 4.615364 1490.453       78.52120 1346.000       129.3038 1574.842       98.83067 164.2512 8.067284 178.5443 5.662250 -14.29308      9.856071 
1 1 1 2   28 2  o 176.9305 4.601866 1541.694       79.62949 1598.000       141.9186 1515.822       96.19957 178.9656 8.122643 175.1709 5.617807 3.794632       9.876086 
1 1 1 2   28 3  o 157.2467 3.732780 1214.668       57.45397 1264.630       83.55915 1169.866       79.12632 160.0497 5.341237 153.9502 5.258629 6.099457       7.495465 
1 1 1 2   28 4  o 172.9460 5.639946 1478.057       95.34774 1478.057       95.34774 0.000000       0.000000 172.9460 5.639946 ?        ?        ?              ?        
1 1 1 2   28 5  f 94.15834 3.854058 436.4133       35.44576 454.2433       45.73702 409.6000       56.08748 95.90021 4.888519 90.76153 6.353449 5.138680       8.016479 
1 1 1 2   28 6  o 54.84633 4.294966 148.8836       22.87379 144.4987       34.24499 152.4158       30.73567 53.60283 6.670776 55.25375 5.767802 -1.650925      8.818548 
1 1 1 2   28 7  o 146.9858 4.183557 1063.655       60.12920 1168.703       78.70674 916.4000       93.18634 153.8253 5.234933 135.6780 7.040849 18.14735       8.773715 
1 1 1 2   28 8  o 88.74256 3.888078 387.9403       33.69130 296.5000       58.11525 434.2299       41.34882 76.73827 7.847359 93.79452 4.517083 -17.05624      9.054562 
1 1 1 2   28 9  o 138.7400 4.094793 947.9330       55.54746 1064.000       103.2710 900.6827       65.89096 146.0517 7.246428 135.0302 4.993874 11.02148       8.800539 
1 1 1 2   28 10 o 97.43252 3.898007 467.7141       37.10011 596.4000       71.49986 420.3013       43.39982 109.3685 6.711248 92.18687 4.826452 17.18159       8.266528 
1 1 1 2   28 11 o 105.2772 3.330203 545.0911       34.27398 606.2274       49.91960 490.5710       47.14111 110.7870 4.613467 99.59059 4.850465 11.19642       6.694109 
1 1 1 2   28 12 o 51.14945 5.214104 130.6420       25.74053 104.8000       49.56936 140.1833       30.11990 44.38389 11.36260 52.85603 5.923523 -8.472134      12.81393 
1 1 1 2   28 13 o 85.86306 3.306592 362.9091       27.73836 491.5000       66.21043 335.5353       30.54842 99.06740 6.870501 82.47981 3.794020 16.58759       7.848464 
1 1 1 2   28 14 o 91.24213 3.213655 409.7041       28.65644 452.4000       65.38152 399.5518       31.88190 94.90379 7.089485 90.03524 3.625052 4.868553       7.962524 
1 1 1 2   28 15 o 77.89015 3.180826 298.7490       24.19993 349.0000       60.28231 289.0949       26.42248 83.10178 7.491282 76.56374 3.535233 6.538040       8.283549 
1 1 1 2   28 16 o 68.07857 3.372573 228.5969       22.40391 0.000000       0.000000 228.5969       22.40391 ?        ?        68.07857 3.372573 ?              ?        
1 1 1 2   28 17 o 130.1274 3.645270 834.8717       46.38489 828.9000       90.25002 837.0154       54.07335 128.2959 7.215759 130.1226 4.251163 -1.826645      8.374937 
1 1 1 2   28 18 f 121.6781 5.225092 736.5348       62.08680 784.6000       86.97823 686.6000       88.65374 124.7213 7.154672 116.3027 7.833241 8.418610       10.60891 
1 1 1 2   28 19 o 41.76051 9.307958 92.81378       37.07519 52.17000       48.23426 151.5000       57.95976 33.04858 11.80147 52.75384 11.54577 -19.70526      16.50999 
1 1 1 2   28 20 o 130.4941 5.388837 849.7542       68.68416 1012.000       100.0620 705.2000       94.44901 141.3432 7.256780 117.3197 8.277850 24.02357       11.00834 
1 1 1 2   28 21 f 61.98772 9.144198 201.7000       53.81854 201.7000       53.81854 0.000000       0.000000 61.98772 9.144198 ?        ?        ?              ?        
1 1 1 2   28 22 o 106.8196 7.371538 581.6000       76.60263 581.6000       76.60263 0.000000       0.000000 106.8196 7.371538 ?        ?        ?              ?        
1 1 1 2   28 23 o 63.74098 6.496992 206.8388       39.96956 240.7000       54.55446 167.6000       58.72686 67.98819 8.374435 55.24013 11.24394 12.74806       14.01989 
1 1 1 2   28 24 o 81.45057 8.590572 346.0000       67.45888 0.000000       0.000000 346.0000       67.45888 ?        ?        81.45057 8.590572 ?              ?        
1 1 1 2   28 25 o 44.48048 8.753922 105.7413       36.75566 98.08000       48.57879 116.0000       56.21374 41.86889 11.50188 45.18872 12.35629 -3.319836      16.88109 
1 1 1 2   28 26 o 95.49074 5.389139 458.3822       50.16729 422.7000       66.05972 507.0000       77.10964 90.56262 7.519927 98.88751 8.035570 -8.324890      11.00544 
1 1 1 2   28 27 f 77.14466 5.830862 301.6315       43.70362 303.3000       57.77584 299.4000       66.81797 76.32095 7.845463 74.93518 9.309795 1.385773       12.17471 
1 1 1 2   28 28 o 60.52242 6.659025 188.6314       38.79770 173.1000       49.60567 213.1000       62.26311 56.68316 9.260120 62.18574 10.60938 -5.502583      14.08221 
1 1 1 2   28 29 o 97.55302 5.298421 480.2991       50.40345 524.3000       68.21786 427.4000       74.79822 100.8541 6.952874 89.81139 8.613989 11.04269       11.06993 
1 1 1 2   28 30 o 54.25269 6.910063 153.6698       35.86362 142.9000       45.66733 171.0000       57.92998 50.93233 9.509870 54.73169 11.19125 -3.799358      14.68611 
1 1 1 2   28 31 o 74.77879 5.827372 286.4617       42.31724 279.0000       54.30288 298.0000       67.52673 72.56757 7.765531 73.60748 9.600929 -1.039909      12.34833 
1 1 1 2   28 32 o 65.89431 6.197193 225.0069       39.50213 179.9000       48.76443 311.1000       67.36992 57.14214 9.017163 75.08444 9.370004 -17.94230      13.00408 
1 1 1 2   28 33 o 29.52707 9.655128 48.41410       32.12469 49.59000       39.81303 46.22000       54.38379 30.16005 10.72705 30.79038 12.17987 -0.6303272     16.23018 
1 1 1 2   28 34 o 78.30903 5.479001 314.8536       41.73214 331.1000       54.48756 291.8000       64.90656 79.07398 7.115786 72.23964 9.402111 6.834343       11.79127 
1 1 1 2   28 35 o 32.66854 10.82311 62.45000       40.31798 62.45000       40.31798 0.000000       0.000000 32.66854 10.82311 ?        ?        ?              ?        
1 1 1 2   28 36 o 50.36937 7.422996 137.3551       35.50161 114.8000       45.74849 171.5000       56.28815 43.73245 10.76164 53.45183 11.12097 -9.719376      15.47543 
1 1 1 2   28 37 o 43.22272 12.02417 118.0000       52.72025 0.000000       0.000000 118.0000       52.72025 ?        ?        43.22272 12.02417 ?              ?        
1 1 1 2   28 38 o 27.32071 9.860771 40.57552       33.77495 28.71000       45.71993 54.83000       50.11156 26.51015 10.91957 31.05144 11.85444 -4.541288      16.11722 
1 1 1 2   28 39 o 50.19940 7.528378 138.3118       35.85253 167.6000       48.46159 102.9000       53.28756 53.66964 9.576249 39.59433 12.38282 14.07531       15.65372 
1 1 1 2   28 40 o 70.41283 5.931110 260.5692       40.49871 265.9000       54.88990 254.2000       59.99804 68.96558 8.297682 66.16044 9.540025 2.805145       12.64372 
1 1 1 2   28 41 o 22.49883 9.098823 20.31100       31.04173 -8.170000      40.56199 60.57000       48.22509 20.42548 9.285861 31.36138 11.70448 -10.93590      14.94062 
1 1 1 2   28 42 o 40.44186 8.179858 93.64865       31.26666 87.90000       40.62681 102.0000       48.96753 37.32533 10.61660 39.20642 11.79905 -1.881096      15.87230 
1 1 1 2   28 43 o 32.64624 9.143873 63.83746       30.37669 86.78000       39.57848 30.95000       47.38637 37.16065 10.44772 26.41169 11.01854 10.74895       15.18430 
1 1 1 2   28 44 o 18.15971 8.107867 -2.931550      29.36451 1.268000       38.50603 -8.768000      45.39434 20.93266 9.319160 21.23978 9.719980 -0.3071213     13.46569 
1 1 1 2   28 45 o 39.87391 10.59845 101.0000       42.07068 101.0000       42.07068 0.000000       0.000000 39.87391 10.59845 ?        ?        ?              ?        
1 1 1 2   28 46 o 33.20484 9.088040 66.44963       30.39275 58.93000       39.01256 78.06000       48.47627 30.67519 10.64151 34.09341 11.86021 -3.418219      15.93444 
1 1 1 2   28 47 o 50.63939 11.02360 163.9000       53.08707 0.000000       0.000000 163.9000       53.08707 ?        ?        50.63939 11.02360 ?              ?        
1 1 1 2   28 48 o 19.82611 8.270049 12.15957       26.68934 0.000000       0.000000 12.15957       26.68934 ?        ?        19.82611 8.270049 ?              ?        
1 1 1 2   28 49 o 20.35982 8.475414 13.92795       27.94840 0.000000       0.000000 13.92795       27.94840 ?        ?        20.35982 8.475414 ?              ?        
1 1 1 2   28 50 o 34.10389 8.630076 70.30455       28.82787 0.000000       0.000000 70.30455       28.82787 ?        ?        34.10389 8.630076 ?              ?        
1 1 1 2   28 51 o 28.07981 9.079016 49.01605       28.44870 0.000000       0.000000 49.01605       28.44870 ?        ?        28.07981 9.079016 ?              ?        
1 1 1 2   29 0  o 146.9541 3.640325 1061.631       52.36345 1142.000       109.6645 1037.896       59.59612 151.1823 7.433486 145.1360 4.199461 6.046341       8.537693 
1 1 1 2   29 1  f 148.0699 3.658474 1077.876       53.02406 1089.000       107.0705 1074.262       61.03389 147.6201 7.433927 147.6508 4.227428 -0.3079224E-01 8.551867 
1 1 1 2   29 2  o 122.6731 3.445628 740.0541       41.33268 756.1000       84.72587 735.0427       47.34921 123.0621 7.063397 122.1618 3.965033 0.9003296      8.100189 
1 1 1 2   29 3  o 72.16131 5.239725 258.5673       36.75787 206.9000       55.59331 298.7000       48.99635 63.50070 9.212824 77.29372 6.537343 -13.79302      11.29659 
1 1 1 2   29 4  o 55.18431 4.792353 151.3375       25.62992 156.0397       33.50021 144.7000       39.80111 55.75290 6.245900 53.26801 7.870140 2.484890       10.04741 
1 1 1 2   29 5  o 144.3117 3.602341 1023.967       50.88533 1062.894       73.86167 988.8010       70.20308 146.5875 5.155761 141.4015 5.080453 5.186005       7.238292 
1 1 1 2   29 6  o 105.3506 3.892900 546.9486       40.07458 479.3000       69.56878 580.5439       49.02572 97.74361 7.324703 108.3894 4.631624 -10.64578      8.666211 
1 1 1 2   29 7  o 80.99341 4.077700 323.8818       32.22343 256.7000       56.90566 355.5915       39.09538 71.04245 8.342116 84.75047 4.731564 -13.70802      9.590548 
1 1 1 2   29 8  o 102.8515 3.390327 520.6193       34.08510 589.8387       51.25527 465.7376       45.63925 109.1833 4.807754 96.99218 4.822360 12.19114       6.809526 
1 1 1 2   29 9  o 100.4348 3.387264 496.5415       33.25198 567.3591       49.42611 437.9864       44.94364 107.0813 4.727249 94.01752 4.900666 13.06375       6.809068 
1 1 1 2   29 10 o 114.6337 3.899109 648.0096       43.68691 733.9000       80.36954 611.9877       52.04786 121.0925 6.808016 111.1831 4.793796 9.909393       8.326438 
1 1 1 2   29 11 o 85.10378 5.241001 360.0876       43.44677 323.4000       58.41734 405.5000       64.99343 79.95515 7.553848 89.63222 7.475986 -9.677071      10.62784 
1 1 1 2   29 12 f 52.13885 5.120934 135.9118       25.79784 148.8000       47.65722 130.5699       30.68190 53.33273 9.476310 50.81765 6.303292 2.515083       11.38121 
1 1 1 2   29 13 o 81.47763 3.339769 327.1991       26.57905 371.6000       60.13015 316.4171       29.63097 85.77541 7.229041 80.03988 3.792892 5.735535       8.163643 
1 1 1 2   29 14 f 76.68562 3.315189 289.9485       24.82569 329.1000       58.07850 281.1958       27.46087 80.55893 7.449746 75.44270 3.730265 5.116234       8.331482 
1 1 1 2   29 15 o 37.04328 4.684018 68.99342       16.60472 106.9000       46.40133 63.42632       17.78228 44.52579 10.76612 35.35918 5.301004 9.166618       12.00042 
1 1 1 2   29 16 o 97.65929 3.058006 469.7386       29.19594 537.5000       69.37424 455.1542       32.18491 103.1754 6.909178 96.05151 3.428776 7.123871       7.713187 
1 1 1 2   29 17 o 89.95051 3.225248 399.0241       28.35107 0.000000       0.000000 399.0241       28.35107 ?        ?        89.95051 3.225248 ?              ?        
1 1 1 2   29 18 o 44.99383 8.519103 106.6476       36.14574 108.2000       45.52564 104.0000       59.45372 44.62701 10.58338 43.28503 12.99547 1.341984       16.75978 
1 1 1 2   29 19 o 22.50840 9.906815 -6.378000      42.31951 -6.378000      42.31951 0.000000       0.000000 22.50840 9.906815 ?        ?        ?              ?        
1 1 1 2   29 20 o 62.45335 8.709806 204.2000       51.79759 204.2000       51.79759 0.000000       0.000000 62.45335 8.709806 ?        ?        ?              ?        
1 1 1 2   29 21 o 94.86008 5.342349 451.0524       49.40413 473.3000       66.80553 424.2000       73.39429 96.30078 7.137976 90.44124 8.386182 5.859543       11.01266 
1 1 1 2   29 22 o 69.28011 6.073555 243.2975       40.77058 252.8000       54.38022 231.1000       61.61101 69.71375 8.121119 65.71156 9.884671 4.002190       12.79294 
1 1 1 2   29 23 o 61.31064 10.29620 203.7000       59.60204 0.000000       0.000000 203.7000       59.60204 ?        ?        61.31064 10.29620 ?              ?        
1 1 1 2   29 24 o 92.64715 5.415632 431.7591       48.89784 460.5000       66.26490 397.4000       72.45261 94.72742 7.200581 87.10116 8.610682 7.626259       11.22463 
1 1 1 2   29 25 o 57.83510 6.980496 172.9397       38.71864 206.6000       50.87314 126.6000       59.69062 62.50628 8.537860 46.72778 12.71447 15.77850       15.31512 
1 1 1 2   29 26 o 50.37716 7.618503 133.3727       36.39515 103.6000       45.91537 183.7000       59.69672 42.88419 10.91302 57.37771 11.02980 -14.49352      15.51614 
1 1 1 2   29 27 f 26.97467 9.748169 34.90660       33.02087 8.397000       40.73919 85.68000       56.38050 23.71069 10.07149 38.69030 12.79801 -14.97961      16.28569 
1 1 1 2   29 28 o 66.05259 6.184750 224.1328       39.52192 232.7000       50.22386 210.2000       64.04865 66.36555 7.885432 60.90315 11.15490 5.462402       13.66059 
1 1 1 2   29 29 o 49.72480 7.701516 131.8567       36.27381 156.7000       45.59873 89.04000       59.86242 53.52601 9.023833 38.72040 13.19105 14.80561       15.98228 
1 1 1 2   29 30 o 91.64938 5.377272 427.7242       48.02700 425.9000       62.77041 430.3000       74.58930 90.10831 7.176026 89.25961 8.645312 0.8486938      11.23551 
1 1 1 2   29 31 o 34.70839 9.566730 68.86960       33.54401 56.77000       41.51977 91.61000       56.92048 31.75610 10.98010 38.52568 12.86261 -6.769581      16.91181 
1 1 1 2   29 32 o 21.38396 8.837351 12.51142       30.07916 -6.077000      36.90068 49.32000       51.92633 20.32132 9.079843 30.95536 12.00194 -10.63404      15.04959 
1 1 1 2   29 33 f 51.25321 7.081932 140.4542       34.58024 115.2000       42.23669 191.8000       60.22485 44.57552 9.934291 56.74265 11.24088 -12.16714      15.00159 
1 1 1 2   29 34 o 30.18587 10.62195 51.36000       38.95090 51.36000       38.95090 0.000000       0.000000 30.18587 10.62195 ?        ?        ?              ?        
1 1 1 2   29 35 o 64.60766 6.188064 218.8649       38.65542 222.4000       51.49157 214.3000       58.51316 63.33471 8.521984 60.68699 10.21263 2.647724       13.30120 
1 1 1 2   29 36 o 22.99166 10.28794 -1.724000      47.55753 0.000000       0.000000 -1.724000      47.55753 ?        ?        22.99166 10.28794 ?              ?        
1 1 1 2   29 37 o 23.43793 9.343563 22.82888       32.24195 28.43000       42.63898 15.35000       49.27060 26.00308 10.60908 25.18068 10.89168 0.8224068      15.20465 
1 1 1 2   29 38 o 62.07891 6.300955 204.3847       37.75765 242.4000       50.98141 158.2000       56.19296 66.12868 8.041281 50.05191 11.68345 16.07676       14.18327 
1 1 1 2   29 39 o 37.55676 9.195688 83.22449       33.52929 30.99000       42.66359 167.6000       54.22342 26.14884 10.63323 52.06601 10.98556 -25.91717      15.28882 
1 1 1 2   29 40 f 24.67620 9.266728 31.71617       30.32569 12.13000       39.01270 61.62000       48.20528 22.58349 9.729602 31.43851 11.70821 -8.855015      15.22325 
1 1 1 2   29 41 o 39.73857 8.247279 90.91933       31.02797 71.87000       40.31466 118.6000       48.59721 33.61430 10.80243 42.68246 11.41180 -9.068169      15.71374 
1 1 1 2   29 42 o 22.12081 8.860151 20.65557       29.13042 21.55000       37.21232 19.24000       46.81446 23.61547 9.800881 24.72954 10.65620 -1.114069      14.47798 
1 1 1 2   29 43 o 44.19320 8.000478 111.4174       33.33430 121.5000       44.67226 98.75000       50.07215 43.95751 10.52245 38.06144 12.01742 5.896076       15.97311 
1 1 1 2   29 44 o 48.40325 9.742684 142.1000       44.55987 142.1000       44.55987 0.000000       0.000000 48.40325 9.742684 ?        ?        ?              ?        
1 1 1 2   29 45 o 37.33096 8.787908 82.77895       31.57512 73.63000       41.12302 95.92000       49.28496 33.68157 10.91773 37.45969 11.93417 -3.778122      16.17471 
1 1 1 2   29 46 o 33.58671 11.81407 76.21000       48.18129 0.000000       0.000000 76.21000       48.18129 ?        ?        33.58671 11.81407 ?              ?        
1 1 1 2   29 47 o 32.58527 8.878580 64.14774       29.08344 0.000000       0.000000 64.14774       29.08344 ?        ?        32.58527 8.878580 ?              ?        
1 1 1 2   29 48 o 17.89442 7.880117 1.220450       26.80787 0.000000       0.000000 1.220450       26.80787 ?        ?        17.89442 7.880117 ?              ?        
1 1 1 2   29 49 o 26.83748 9.060149 43.53399       28.23495 0.000000       0.000000 43.53399       28.23495 ?        ?        26.83748 9.060149 ?              ?        
1 1 1 2   29 50 o 15.94767 7.317703 -9.458306      25.96105 0.000000       0.000000 -9.458306      25.96105 ?        ?        15.94767 7.317703 ?              ?        
1 1 1 2   30 0  o 60.73472 4.041044 182.5768       23.88688 238.0000       52.15349 167.8640       26.87101 68.39962 7.936931 58.09410 4.767381 10.30552       9.258660 
1 1 1 2   30 1  o 86.98919 3.519755 372.9117       29.90792 433.9000       65.42458 356.7999       33.62719 92.85150 7.256149 84.98992 4.053879 7.861580       8.311777 
1 1 1 2   30 2  f 77.42532 4.214425 296.4910       31.81903 215.8000       56.72923 333.5286       38.43398 64.65051 9.225952 82.00693 4.809157 -17.35642      10.40414 
1 1 1 2   30 3  o 88.06976 3.993752 383.0138       34.33859 280.7000       59.70452 433.5871       41.97597 74.18195 8.368358 93.58357 4.596482 -19.40162      9.547621 
1 1 1 2   30 4  o 147.3568 4.207883 1071.910       60.63105 1178.000       111.5609 1027.439       72.22949 153.0936 7.467249 143.9631 5.133966 9.130524       9.061867 
1 1 1 2   30 5  o 130.1228 4.033568 835.5536       51.31261 995.0000       97.55577 774.5700       60.33260 140.8212 7.100394 125.0208 4.939915 15.80042       8.649760 
1 1 1 2   30 6  o 114.3926 4.773808 648.2820       53.33514 0.000000       0.000000 648.2820       53.33514 ?        ?        114.3926 4.773808 ?              ?        
1 1 1 2   30 7  o 101.8024 3.426913 510.6143       34.09950 527.5443       49.46572 495.2836       47.07129 103.1190 4.914863 99.93341 4.826420 3.185562       6.888411 
1 1 1 2   30 8  o 69.12115 3.833467 236.2101       25.83477 239.3850       37.73447 233.4088       35.44470 69.18979 5.620080 68.38671 5.337334 0.8030777      7.750641 
1 1 1 2   30 9  o 176.0210 3.987598 1528.435       68.70399 1519.857       97.33479 1536.952       96.99038 174.7207 5.699001 175.7292 5.646023 -1.008408      8.022231 
1 1 1 2   30 10 o 149.6670 4.257351 1107.475       62.30604 1304.000       117.9200 1031.360       73.38662 160.7308 7.515996 144.0641 5.212805 16.66675       9.146777 
1 1 1 2   30 11 o 83.82363 4.039788 347.7185       33.04843 414.9000       61.00576 319.8138       39.31740 90.65305 6.927627 80.13357 5.038109 10.51948       8.565895 
1 1 1 2   30 12 o 97.42959 3.894700 469.3143       37.06765 570.8000       70.37459 430.3483       43.60698 106.4077 6.792190 93.04353 4.804376 13.36418       8.319608 
1 1 1 2   30 13 o 112.0914 3.949214 621.4285       43.26236 616.8000       75.54411 623.6873       52.77305 110.4343 7.025019 112.0076 4.824787 -1.573250      8.522292 
1 1 1 2   30 14 o 21.20273 6.930204 21.97040       16.55146 1.580000       41.67122 25.78976       18.03510 23.43045 10.07463 22.71980 7.217103 0.7106552      12.39293 
1 1 1 2   30 15 o 55.37110 3.563001 151.8987       19.20853 146.7000       46.86237 152.9485       21.05889 52.57061 9.454564 55.49619 3.901597 -2.925583      10.22796 
1 1 1 2   30 16 o 81.13058 3.070704 324.6455       24.34132 348.6000       58.47947 319.6255       26.77059 82.63442 7.305127 80.42800 3.408239 2.206421       8.061078 
1 1 1 2   30 17 o 54.46085 3.006792 146.5166       15.96634 226.1000       50.19631 137.5585       16.84098 66.12490 7.912211 52.71742 3.279923 13.40748       8.565103 
1 1 1 2   30 18 o 73.01306 7.762397 275.1000       54.62640 275.1000       54.62640 0.000000       0.000000 73.01306 7.762397 ?        ?        ?              ?        
1 1 1 2   30 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   30 20 f 33.19857 11.12911 57.87000       42.60624 57.87000       42.60624 0.000000       0.000000 33.19857 11.12911 ?        ?        ?              ?        
1 1 1 2   30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   30 22 o 86.83878 8.682266 396.0000       72.81101 0.000000       0.000000 396.0000       72.81101 ?        ?        86.83878 8.682266 ?              ?        
1 1 1 2   30 23 o 73.58262 5.989701 275.2570       42.76783 309.6000       56.05061 227.4000       66.16586 77.27127 7.505066 64.14542 10.92957 13.12585       13.25826 
1 1 1 2   30 24 o 74.71846 5.877761 283.7667       42.64199 256.1000       54.04414 329.4000       69.40817 69.84061 8.052864 78.53078 9.203957 -8.690170      12.22953 
1 1 1 2   30 25 o 72.36613 5.961432 267.0297       41.85303 271.8000       54.38302 260.1000       65.54597 71.98514 7.844956 69.02777 9.991213 2.957367       12.70306 
1 1 1 2   30 26 o 49.03548 7.974042 128.3872       36.95946 120.1000       46.04400 143.4000       61.97250 46.10464 10.44564 48.99988 12.78750 -2.895245      16.51156 
1 1 1 2   30 27 o 51.96034 7.491498 143.1343       37.00263 128.2000       46.09432 170.2000       62.05334 47.64260 10.19250 53.73142 12.09160 -6.088818      15.81435 
1 1 1 2   30 28 o 32.04035 9.895390 57.63108       34.14776 63.63000       42.71629 47.01000       56.83831 33.48343 11.14186 31.50020 12.45452 1.983232       16.71095 
1 1 1 2   30 29 o 42.16077 8.678761 98.75897       34.62130 48.11000       42.85716 193.9000       58.73838 30.13954 11.07291 57.88891 10.76225 -27.74937      15.44136 
1 1 1 2   30 30 o 60.60516 6.255035 191.7140       36.57364 168.6000       46.33899 229.9000       59.56080 55.12085 8.891093 63.69831 9.871911 -8.577465      13.28556 
1 1 1 2   30 31 o 51.79375 7.028668 143.1294       34.71467 115.6000       44.19058 187.5000       56.10211 44.38625 10.36078 56.78771 10.47892 -12.40146      14.73613 
1 1 1 2   30 32 o 20.11121 9.108388 -10.42000      38.57708 -10.42000      38.57708 0.000000       0.000000 20.11121 9.108388 ?        ?        ?              ?        
1 1 1 2   30 33 o 40.78942 8.728356 94.31288       33.79569 99.69000       42.37094 84.91000       56.03040 40.76002 10.54184 36.58643 12.74942 4.173588       16.54322 
1 1 1 2   30 34 o 62.28458 10.23070 226.5000       60.20869 0.000000       0.000000 226.5000       60.20869 ?        ?        62.28458 10.23070 ?              ?        
1 1 1 2   30 35 o 30.54360 10.32046 54.67362       36.63667 80.58000       50.57170 26.06000       53.14845 35.62008 12.12447 27.09734 11.50654 8.522739       16.71536 
1 1 1 2   30 36 o 47.53463 7.885248 125.5180       35.40362 120.2000       46.30664 133.0000       54.92617 44.25882 10.78849 45.36302 12.13380 -1.104206      16.23640 
1 1 1 2   30 37 o 24.67566 9.331654 30.50234       30.87259 17.70000       39.39437 50.88000       49.70118 23.68628 9.974658 30.07648 11.71930 -6.390200      15.38947 
1 1 1 2   30 38 o 35.89286 9.072298 76.14484       31.88404 79.53000       40.94510 70.93000       50.81982 35.54136 10.80929 33.24004 12.08188 2.301315       16.21149 
1 1 1 2   30 39 o 18.05617 8.033201 -2.378257      28.56360 12.54000       36.05010 -27.54000      46.81853 22.04024 9.421490 19.88505 9.357436 2.155193       13.27878 
1 1 1 2   30 40 o 20.76209 8.557668 14.84084       28.10542 -6.470000      35.56946 50.26000       45.85600 19.30816 8.745259 29.19030 11.28922 -9.882139      14.28027 
1 1 1 2   30 41 o 29.46067 9.375500 52.04754       30.42399 50.82000       39.18787 53.91000       48.27009 29.09962 10.60461 29.92130 11.57969 -0.8216820     15.70182 
1 1 1 2   30 42 o 41.94254 8.321575 101.9353       32.95747 104.2000       43.19486 98.78000       50.98587 40.29597 10.75211 37.84587 12.14693 2.450108       16.22207 
1 1 1 2   30 43 o 47.74294 9.733485 138.7000       43.94237 138.7000       43.94237 0.000000       0.000000 47.74294 9.733485 ?        ?        ?              ?        
1 1 1 2   30 44 o 29.92222 11.60314 55.49000       48.53846 0.000000       0.000000 55.49000       48.53846 ?        ?        29.92222 11.60314 ?              ?        
1 1 1 2   30 45 o 54.72875 10.62150 188.7000       54.84678 0.000000       0.000000 188.7000       54.84678 ?        ?        54.72875 10.62150 ?              ?        
1 1 1 2   30 46 o 23.71019 8.878159 30.02691       27.79329 0.000000       0.000000 30.02691       27.79329 ?        ?        23.71019 8.878159 ?              ?        
1 1 1 2   30 47 o 28.54857 9.066230 49.71009       28.46235 0.000000       0.000000 49.71009       28.46235 ?        ?        28.54857 9.066230 ?              ?        
1 1 1 2   30 48 o 31.66940 8.998556 62.05091       29.20191 0.000000       0.000000 62.05091       29.20191 ?        ?        31.66940 8.998556 ?              ?        
1 1 1 2   30 49 o 25.07762 8.959377 37.47540       27.80297 0.000000       0.000000 37.47540       27.80297 ?        ?        25.07762 8.959377 ?              ?        
1 1 1 2   31 0  o 78.15193 3.611410 301.6067       27.55161 331.3000       60.08320 293.7004       31.00339 80.69096 7.700426 77.01324 4.127881 3.677719       8.737045 
1 1 1 2   31 1  o 74.91582 5.561841 280.6277       40.49387 225.5000       56.51271 338.8000       58.05228 65.95869 8.986724 81.74662 7.332921 -15.78793      11.59883 
1 1 1 2   31 2  o 100.7939 3.462676 500.9739       34.11198 458.5000       69.47628 514.4654       39.15666 95.09422 7.525388 102.0346 3.927932 -6.940369      8.488823 
1 1 1 2   31 3  o 65.13963 3.968333 210.1853       25.18223 242.7000       54.57465 201.3898       28.38464 68.72216 8.279752 63.62772 4.588358 5.094437       9.466114 
1 1 1 2   31 4  o 92.19742 5.144678 423.3086       46.24421 341.6000       62.69648 520.8000       68.48455 81.80341 7.929397 101.6107 6.927108 -19.80727      10.52902 
1 1 1 2   31 5  o 91.47539 4.047778 414.0613       36.15350 504.7000       67.52074 377.6306       42.80692 99.99144 6.941814 87.08435 5.043474 12.90709       8.580525 
1 1 1 2   31 6  o 159.1372 3.805342 1249.655       59.27501 1384.407       88.45081 1139.804       79.86085 166.7096 5.427680 151.2631 5.402474 15.44653       7.658096 
1 1 1 2   31 7  o 80.12852 3.568279 317.1884       27.91653 346.7003       40.79887 291.2064       38.28118 83.40843 5.020501 76.38021 5.150447 7.028221       7.192533 
1 1 1 2   31 8  o 65.31577 3.926418 211.4765       24.98682 220.7708       35.97560 202.8143       34.73068 66.31629 5.594317 63.52919 5.643814 2.787102       7.946636 
1 1 1 2   31 9  o 62.83897 3.997534 195.9534       24.46076 189.6148       34.55260 202.3215       34.63301 61.33784 5.824826 63.43309 5.636495 -2.095249      8.105472 
1 1 1 2   31 10 o 57.42354 4.074047 163.8961       22.75060 179.7000       48.74316 159.4942       25.72456 58.61873 8.763753 56.50139 4.693734 2.117340       9.941554 
1 1 1 2   31 11 o 72.59431 5.011499 263.3584       35.39183 300.5000       55.49764 237.9000       45.94729 76.63055 7.494593 68.31784 6.968463 8.312714       10.23369 
1 1 1 2   31 12 o 77.33067 3.417144 295.5414       25.80165 337.5000       56.99191 284.7245       28.93696 81.32948 7.234531 75.78430 3.914186 5.545174       8.225527 
1 1 1 2   31 13 o 44.81775 5.562462 101.8542       23.87839 117.5000       44.90475 95.68594       28.19514 46.57191 10.13884 43.01232 6.932536 3.559597       12.28235 
1 1 1 2   31 14 o 52.63756 4.703622 138.7964       23.97942 164.7000       46.00648 129.1344       28.09791 55.96658 8.679036 50.45554 5.794341 5.511040       10.43552 
1 1 1 2   31 15 o 62.84848 3.667411 195.9108       22.46309 236.2000       49.68189 185.5582       25.18431 67.63282 7.638202 61.02192 4.242788 6.610901       8.737470 
1 1 1 2   31 16 o 78.30549 3.112923 302.8243       23.81225 293.0000       54.84262 305.1067       26.43397 75.40405 7.531126 78.52065 3.447723 -3.116592      8.282792 
1 1 1 2   31 17 o 77.53369 3.143993 297.0248       23.81094 317.6000       55.17129 292.3152       26.39578 78.61993 7.250899 76.82342 3.519573 1.796509       8.059958 
1 1 1 2   31 18 o 130.9053 7.270191 877.8000       92.78974 877.8000       92.78974 0.000000       0.000000 130.9053 7.270191 ?        ?        ?              ?        
1 1 1 2   31 19 o 59.19587 6.650108 179.9080       37.86681 172.2000       48.07948 192.5000       61.45189 56.87107 8.930964 59.02127 11.04285 -2.150204      14.20235 
1 1 1 2   31 20 o 67.80190 10.16740 249.5000       65.39932 0.000000       0.000000 249.5000       65.39932 ?        ?        67.80190 10.16740 ?              ?        
1 1 1 2   31 21 o 63.69569 11.00449 225.2000       66.12949 0.000000       0.000000 225.2000       66.12949 ?        ?        63.69569 11.00449 ?              ?        
1 1 1 2   31 22 o 47.32499 10.27386 124.5000       46.22383 124.5000       46.22383 0.000000       0.000000 47.32499 10.27386 ?        ?        ?              ?        
1 1 1 2   31 23 o 56.12846 7.111379 164.3435       38.19433 150.9000       46.93500 190.7000       65.71790 52.54560 9.473907 57.50307 12.06146 -4.957462      15.33733 
1 1 1 2   31 24 o 29.35610 9.880608 45.69711       33.58062 9.981000       41.35811 114.8000       57.52766 23.93117 10.15572 43.83253 12.68602 -19.90136      16.25035 
1 1 1 2   31 25 o 59.43062 6.786057 184.3073       38.76938 198.1000       49.15329 161.6000       63.06823 60.60983 8.520097 51.92468 12.54940 8.685143       15.16837 
1 1 1 2   31 26 o 65.98333 6.269414 225.5415       40.00592 269.0000       52.01474 162.6000       62.59764 71.23930 7.575366 51.83479 12.48663 19.40451       14.60487 
1 1 1 2   31 27 o 37.38144 9.370453 79.42007       34.21683 92.78000       43.07699 56.58000       56.32381 39.68409 10.80242 32.61318 12.53827 7.070908       16.54994 
1 1 1 2   31 28 o 65.73964 6.137317 224.8718       39.03589 260.7000       50.71741 172.8000       61.14293 69.80408 7.542474 53.29039 12.01017 16.51369       14.18214 
1 1 1 2   31 29 o 41.91439 8.284106 97.43027       32.78183 78.46000       41.16874 130.3000       54.19123 36.28878 10.79491 45.97267 11.93811 -9.683891      16.09498 
1 1 1 2   31 30 o 48.51897 7.446349 127.5331       34.23622 116.8000       43.36129 145.3000       55.78868 44.61555 10.15763 48.49103 11.85482 -3.875477      15.61135 
1 1 1 2   31 31 o 17.83605 8.430992 -33.03000      38.79122 -33.03000      38.79122 0.000000       0.000000 17.83605 8.430992 ?        ?        ?              ?        
1 1 1 2   31 32 f 61.08533 6.548586 197.7081       38.54486 160.6000       50.64360 248.8000       59.42467 52.22854 10.27246 66.06004 9.459813 -13.83150      13.96465 
1 1 1 2   31 33 o 25.04192 10.86808 13.57000       49.39168 0.000000       0.000000 13.57000       49.39168 ?        ?        25.04192 10.86808 ?              ?        
1 1 1 2   31 34 o 34.96729 9.769225 72.96066       34.72049 71.70000       45.59887 74.70000       53.56089 33.93499 11.51346 34.33128 12.41402 -0.3962898     16.93127 
1 1 1 2   31 35 o 28.04184 9.666700 45.00203       32.17181 58.56000       40.84733 22.85000       52.21235 31.15930 10.88399 26.32301 11.29709 4.836292       15.68711 
1 1 1 2   31 36 o 25.99626 9.436569 36.75727       30.98838 24.06000       39.38930 57.38000       50.19912 24.58443 10.13182 31.01224 11.85857 -6.427805      15.59742 
1 1 1 2   31 37 o 40.90535 8.433492 96.50475       32.64460 109.2000       42.04247 77.23000       51.80387 42.04866 10.29811 34.15100 12.22635 7.897667       15.98545 
1 1 1 2   31 38 o 20.43754 8.490610 13.12484       27.96779 31.36000       34.80103 -20.13000      46.99642 25.00912 9.788612 20.52631 9.566751 4.482811       13.68721 
1 1 1 2   31 39 o 36.13122 8.663404 77.06911       30.24238 66.03000       38.21807 95.56000       49.46303 32.31141 10.52884 37.49380 11.95690 -5.182388      15.93185 
1 1 1 2   31 40 o 23.38443 9.096550 26.54901       29.90501 -0.4064000     37.91251 70.94000       48.65271 20.56903 9.196089 32.81982 11.83636 -12.25080      14.98891 
1 1 1 2   31 41 o 34.29151 10.95868 76.69000       41.53188 76.69000       41.53188 0.000000       0.000000 34.29151 10.95868 ?        ?        ?              ?        
1 1 1 2   31 42 o 34.27564 9.138689 71.30808       31.21910 78.58000       39.71010 59.54000       50.51606 34.85335 10.65395 30.58454 11.84340 4.268816       15.93025 
1 1 1 2   31 43 o 26.59166 11.04621 34.74000       47.33114 0.000000       0.000000 34.74000       47.33114 ?        ?        26.59166 11.04621 ?              ?        
1 1 1 2   31 44 o 31.21737 11.74510 64.50000       48.76530 0.000000       0.000000 64.50000       48.76530 ?        ?        31.21737 11.74510 ?              ?        
1 1 1 2   31 45 o 36.50496 8.524127 79.23589       29.90331 0.000000       0.000000 79.23589       29.90331 ?        ?        36.50496 8.524127 ?              ?        
1 1 1 2   31 46 o 24.82682 9.002961 35.26634       28.19648 0.000000       0.000000 35.26634       28.19648 ?        ?        24.82682 9.002961 ?              ?        
1 1 1 2   31 47 o 25.40630 9.035446 38.21570       28.24582 0.000000       0.000000 38.21570       28.24582 ?        ?        25.40630 9.035446 ?              ?        
1 1 1 2   31 48 o 19.23669 8.203590 10.28162       27.21664 0.000000       0.000000 10.28162       27.21664 ?        ?        19.23669 8.203590 ?              ?        
1 1 1 2   32 0  o 23.12326 9.030605 18.37339       29.56632 18.92000       45.37263 17.97000       38.97823 26.77213 10.93590 25.23948 10.19991 1.532652       14.95434 
1 1 1 2   32 1  o 106.2437 3.418619 557.2424       35.50541 512.9000       71.82879 571.5802       40.84425 100.3576 7.363354 107.4676 3.889234 -7.109947      8.327372 
1 1 1 2   32 2  o 100.9716 3.433854 503.4168       33.88868 554.5000       71.78028 488.7648       38.44276 104.5243 7.057243 99.34433 3.961292 5.179977       8.092992 
1 1 1 2   32 3  o 67.19663 4.458653 224.8433       29.16045 204.3000       53.82615 233.3774       34.69260 62.38578 9.080928 68.24808 5.233184 -5.862301      10.48091 
1 1 1 2   32 4  o 64.81408 3.981603 208.5284       25.13810 194.5000       53.22813 212.5555       28.51892 60.76399 9.239986 65.31624 4.488005 -4.552250      10.27227 
1 1 1 2   32 5  o 97.20213 3.443634 466.6756       32.71239 411.0000       65.94500 484.8473       37.67447 89.63412 7.587480 98.95274 3.897295 -9.318619      8.529874 
1 1 1 2   32 6  o 98.25834 3.447540 476.9227       33.10636 570.6000       71.03876 450.9326       37.41814 106.0732 6.879109 95.38194 4.016827 10.69125       7.965993 
1 1 1 2   32 7  o 35.84843 6.160549 66.22889       20.83816 51.66422       29.93101 79.92884       29.02891 31.23492 9.182142 38.94682 7.885500 -7.711897      12.10342 
1 1 1 2   32 8  o 131.3429 4.004095 854.6589       51.41736 889.2225       64.90160 796.4000       84.26103 133.5374 4.974000 125.2949 6.897084 8.242500       8.503554 
1 1 1 2   32 9  o 98.74691 3.962280 483.3884       38.22013 495.2000       66.91822 477.6699       46.56177 98.64915 6.975160 97.83994 4.877289 0.8092117      8.511216 
1 1 1 2   32 10 o 35.21793 6.098437 64.00765       20.26167 63.27000       42.21688 64.22842       23.09549 34.45353 11.05262 35.03373 6.980175 -0.5802002     13.07223 
1 1 1 2   32 11 o 85.75510 3.443537 363.7408       28.84608 359.3000       58.20394 365.1868       33.21181 83.78448 7.165858 85.77876 3.966283 -1.994270      8.190294 
1 1 1 2   32 12 o 74.93623 4.162600 279.3802       30.41255 252.1000       53.20499 292.6196       37.06475 69.68732 7.941515 76.43119 4.981465 -6.743874      9.374576 
1 1 1 2   32 13 o 94.01823 3.286022 436.8751       30.19400 469.6000       64.34852 427.6357       34.19176 95.92252 6.899583 92.87465 3.768957 3.047867       7.861888 
1 1 1 2   32 14 o 52.09159 5.253117 137.1096       26.41947 192.3000       46.68053 111.1000       32.04573 60.62848 8.065905 46.13393 7.342317 14.49455       10.90727 
1 1 1 2   32 15 o 45.17263 4.085123 102.0652       17.86783 68.78000       42.65882 109.1472       19.67707 35.46488 11.07746 46.65787 4.358982 -11.19299      11.90424 
1 1 1 2   32 16 o 28.77842 5.521556 42.89856       14.98817 72.44000       40.22751 38.13657       16.15108 36.24011 10.64268 26.95053 6.244894 9.289581       12.33959 
1 1 1 2   32 17 o 51.01134 3.225815 129.0432       16.02443 146.8000       44.65473 126.4186       17.16790 52.28135 9.053746 50.42938 3.499694 1.851974       9.706605 
1 1 1 2   32 18 o 53.71711 7.114929 150.1005       36.49111 92.14000       44.55468 268.2000       63.59915 40.42610 10.97854 70.66586 9.429810 -30.23976      14.47237 
1 1 1 2   32 19 o 30.61352 12.28780 36.48000       56.15294 0.000000       0.000000 36.48000       56.15294 ?        ?        30.61352 12.28780 ?              ?        
1 1 1 2   32 20 o 66.63247 6.129579 227.1885       39.53050 212.5000       49.21341 253.9000       66.36567 63.41199 8.114470 67.96409 10.29830 -4.552097      13.11105 
1 1 1 2   32 21 o 27.13886 9.785124 35.97452       33.24841 44.11000       40.66964 19.58000       57.73354 29.70351 10.80646 28.38054 12.01950 1.322973       16.16316 
1 1 1 2   32 22 o 56.29509 6.972178 165.7989       37.59844 169.0000       47.61958 160.5000       61.26765 55.68132 9.047441 52.13526 12.22003 3.546062       15.20478 
1 1 1 2   32 23 o 40.43819 13.02116 99.24000       58.55610 0.000000       0.000000 99.24000       58.55610 ?        ?        40.43819 13.02116 ?              ?        
1 1 1 2   32 24 o 88.86870 7.288535 415.7000       62.84430 415.7000       62.84430 0.000000       0.000000 88.86870 7.288535 ?        ?        ?              ?        
1 1 1 2   32 25 o 24.56820 9.481323 26.42408       32.29433 4.774000       40.10732 66.34000       54.45866 22.56828 9.794018 34.03136 12.48543 -11.46308      15.86849 
1 1 1 2   32 26 o 50.65064 7.335638 137.7204       35.31128 118.8000       44.68007 169.2000       57.63203 45.09108 10.34351 53.18211 11.41280 -8.091030      15.40261 
1 1 1 2   32 27 o 89.06321 5.278609 406.2087       45.81121 347.7000       57.96085 503.6000       74.77985 80.65591 7.424895 96.54395 7.984557 -15.88803      10.90331 
1 1 1 2   32 28 o 28.89082 9.574660 46.87794       31.55238 64.93000       39.58572 15.43000       52.24819 33.13697 10.70932 25.98199 11.22708 7.154980       15.51570 
1 1 1 2   32 29 o 63.90894 6.128181 213.9716       37.86618 200.8000       47.78579 236.2000       62.07752 60.29669 8.317886 63.63912 10.31868 -3.342430      13.25377 
1 1 1 2   32 30 o 17.69687 8.383547 -34.02000      38.75528 -34.02000      38.75528 0.000000       0.000000 17.69687 8.383547 ?        ?        ?              ?        
1 1 1 2   32 31 o 49.39595 7.623599 133.7731       35.67525 163.5000       47.70671 96.06000       53.73426 53.22218 9.506452 38.46764 12.48087 14.75454       15.68900 
1 1 1 2   32 32 o 36.00306 12.08219 83.34000       50.21488 0.000000       0.000000 83.34000       50.21488 ?        ?        36.00306 12.08219 ?              ?        
1 1 1 2   32 33 o 66.41946 6.052392 232.6100       38.91674 247.9000       52.85067 214.5000       57.51828 66.59415 8.286656 60.14863 10.12905 6.445515       13.08688 
1 1 1 2   32 34 o 64.58841 6.056885 220.4608       37.84541 209.3000       49.22128 236.6000       59.18993 60.85762 8.493969 63.35534 9.865723 -2.497726      13.01845 
1 1 1 2   32 35 o 32.11300 9.524579 62.10113       32.08718 83.54000       40.83076 27.48000       51.88684 36.38609 10.73196 26.60515 11.33586 9.780935       15.61015 
1 1 1 2   32 36 o 28.23985 9.365527 47.22678       30.18764 6.199000       37.70349 120.5000       50.38661 21.41371 9.390322 42.64568 11.71342 -21.23198      15.01274 
1 1 1 2   32 37 o 65.07619 5.664727 223.6629       35.72419 201.7000       45.34506 259.6000       58.00387 59.74958 7.950478 66.49830 9.153894 -6.748714      12.12452 
1 1 1 2   32 38 o 20.79188 8.567931 15.17675       28.16409 24.85000       35.31028 -1.739000      46.69395 23.77356 9.671263 22.13943 10.02454 1.634136       13.92928 
1 1 1 2   32 39 o 23.12843 9.065730 25.70224       29.88733 33.63000       38.31376 13.38000       47.76661 25.61819 10.19440 23.94263 10.53205 1.675558       14.65776 
1 1 1 2   32 40 o 74.38745 7.530271 308.9000       54.07539 308.9000       54.07539 0.000000       0.000000 74.38745 7.530271 ?        ?        ?              ?        
1 1 1 2   32 41 o 43.82933 7.781390 109.5534       32.16047 148.7000       41.80722 52.81000       50.33406 50.24874 8.821676 29.44594 11.69535 20.80280       14.64934 
1 1 1 2   32 42 o 34.70695 12.01425 83.49000       49.71505 0.000000       0.000000 83.49000       49.71505 ?        ?        34.70695 12.01425 ?              ?        
1 1 1 2   32 43 o 22.88673 10.23185 7.314000       46.92825 0.000000       0.000000 7.314000       46.92825 ?        ?        22.88673 10.23185 ?              ?        
1 1 1 2   32 44 o 30.90230 9.021635 58.40022       28.98028 0.000000       0.000000 58.40022       28.98028 ?        ?        30.90230 9.021635 ?              ?        
1 1 1 2   32 45 o 22.20060 8.801452 23.59797       28.45689 0.000000       0.000000 23.59797       28.45689 ?        ?        22.20060 8.801452 ?              ?        
1 1 1 2   32 46 o 26.40845 9.132111 42.54909       28.72036 0.000000       0.000000 42.54909       28.72036 ?        ?        26.40845 9.132111 ?              ?        
1 1 1 2   32 47 o 15.43550 7.201037 -15.04940      26.73092 0.000000       0.000000 -15.04940      26.73092 ?        ?        15.43550 7.201037 ?              ?        
1 1 1 2   33 0  o 69.66375 3.781284 240.7884       25.68747 223.1000       54.01088 245.9590       29.20149 65.19862 8.678582 70.28101 4.264911 -5.082390      9.669914 
1 1 1 2   33 1  o 28.96469 9.405427 43.21255       30.51177 52.94000       45.41586 35.21000       41.19290 32.50329 11.46688 28.57824 10.78545 3.925049       15.74214 
1 1 1 2   33 2  o 70.56583 4.336848 248.1121       29.81067 309.3000       56.36778 224.3531       35.12473 77.51459 7.523706 66.75193 5.422456 10.76266       9.274114 
1 1 1 2   33 3  o 45.68183 5.112479 105.4041       22.46864 30.29000       46.85672 127.8329       25.60435 28.64333 11.31343 50.31132 5.277734 -21.66799      12.48391 
1 1 1 2   33 4  o 99.32096 3.461865 487.8693       33.60413 537.4000       70.88353 473.5102       38.16551 102.5746 7.103796 97.67613 4.000335 4.898453       8.152705 
1 1 1 2   33 5  o 58.40855 4.252141 170.1945       24.14380 150.3000       49.87005 176.2850       27.59311 52.66624 10.04027 59.29957 4.794677 -6.633327      11.12637 
1 1 1 2   33 6  o 58.24810 4.241479 169.2787       24.01701 154.1000       48.28677 174.2680       27.68432 53.55134 9.562871 58.93698 4.841526 -5.385635      10.71862 
1 1 1 2   33 7  o 54.80383 4.348722 150.1239       23.13693 100.9000       45.46061 167.3312       26.87843 42.63453 10.86387 57.75111 4.798154 -15.11658      11.87628 
1 1 1 2   33 8  o 76.63657 5.088529 294.7299       37.95489 0.000000       0.000000 294.7299       37.95489 ?        ?        76.63657 5.088529 ?              ?        
1 1 1 2   33 9  o 51.19489 4.306998 131.1323       21.38283 103.3000       41.86987 140.9526       24.87068 43.37856 10.05714 52.93847 4.853619 -9.559914      11.16708 
1 1 1 2   33 10 o 63.97574 3.825683 203.5032       23.84747 218.9000       47.88289 198.4244       27.50080 64.88246 7.688853 62.98345 4.490250 1.899010       8.903977 
1 1 1 2   33 11 o 29.37608 6.983433 45.66539       19.78394 17.19000       40.49564 54.59247       22.67399 25.17096 10.31242 32.05929 7.378630 -6.888336      12.68030 
1 1 1 2   33 12 o 55.51013 4.798464 154.9189       25.81663 161.4000       47.54813 152.2094       30.74286 54.85540 9.179462 54.67635 5.834361 0.1790466      10.87669 
1 1 1 2   33 13 o 39.11363 4.915089 77.61310       18.40317 90.27000       43.63845 74.87517       20.29628 40.14847 10.84898 38.21209 5.591868 1.936378       12.20530 
1 1 1 2   33 14 o 51.84050 5.260808 136.1864       26.32561 128.3000       45.32989 140.2000       32.33797 48.32321 9.916151 52.16230 6.472365 -3.839088      11.84152 
1 1 1 2   33 15 o 31.55662 5.778534 51.73184       17.19146 79.40000       41.90514 46.13289       18.85082 37.61363 10.80942 29.52854 6.678913 8.085089       12.70636 
1 1 1 2   33 16 o 46.84977 3.674227 109.4987       16.71450 198.6000       45.72928 95.75945       17.95699 61.48954 7.771028 43.64729 4.257149 17.84225       8.860710 
1 1 1 2   33 17 o 39.69294 3.933356 79.05372       15.08132 0.000000       0.000000 79.05372       15.08132 ?        ?        39.69294 3.933356 ?              ?        
1 1 1 2   33 18 o 41.64708 12.72095 102.7000       56.62729 0.000000       0.000000 102.7000       56.62729 ?        ?        41.64708 12.72095 ?              ?        
1 1 1 2   33 19 o 47.27906 7.828230 119.5115       34.96089 102.7000       43.08933 151.9000       59.80829 42.46309 10.44116 50.69402 12.20109 -8.230927      16.05878 
1 1 1 2   33 20 o 65.38920 6.049551 220.1559       38.28113 193.9000       47.60572 268.2000       64.39700 60.04364 8.323589 69.71364 9.699498 -9.670002      12.78133 
1 1 1 2   33 21 o 100.8253 5.216310 516.2726       51.30505 542.1000       68.51281 483.3000       77.41213 101.9522 6.906209 94.83640 8.426917 7.115814       10.89535 
1 1 1 2   33 22 o 61.21984 6.476034 195.7247       38.21916 240.6000       50.61542 136.2000       58.29449 66.98497 7.869613 47.08362 12.45771 19.90135       14.73517 
1 1 1 2   33 23 o 66.66483 6.144307 231.1858       39.64288 290.0000       52.39026 152.4000       60.63637 73.81868 7.348154 49.52436 12.50749 24.29432       14.50630 
1 1 1 2   33 24 o 39.99831 8.665969 89.83872       32.94612 77.45000       41.13684 112.0000       55.01930 36.06475 10.80569 42.19048 12.46147 -6.125732      16.49397 
1 1 1 2   33 25 o 37.34826 12.36770 87.01000       52.64862 0.000000       0.000000 87.01000       52.64862 ?        ?        37.34826 12.36770 ?              ?        
1 1 1 2   33 26 f 17.78921 8.355680 -28.29000      37.02843 -28.29000      37.02843 0.000000       0.000000 17.78921 8.355680 ?        ?        ?              ?        
1 1 1 2   33 27 o 42.58101 8.528093 102.0974       34.30432 61.96000       42.39620 178.2000       58.37837 32.32698 11.09874 54.10907 11.38361 -21.78209      15.89870 
1 1 1 2   33 28 o 30.54599 10.98730 53.73000       41.89047 53.73000       41.89047 0.000000       0.000000 30.54599 10.98730 ?        ?        ?              ?        
1 1 1 2   33 29 o 37.80437 9.551337 84.09370       35.35085 122.6000       46.03956 28.78000       55.17999 45.02395 10.62004 27.72522 11.74671 17.29873       15.83574 
1 1 1 2   33 30 o 57.74422 6.966842 179.7908       38.58285 200.3000       52.06067 154.8000       57.46796 58.97390 9.328652 49.20375 12.03365 9.770157       15.22604 
1 1 1 2   33 31 o 34.99534 12.22490 79.10000       51.53278 0.000000       0.000000 79.10000       51.53278 ?        ?        34.99534 12.22490 ?              ?        
1 1 1 2   33 32 o 27.98781 9.573822 45.16935       31.53914 44.60000       40.04090 46.10000       51.19212 28.24715 10.63946 29.26788 11.73770 -1.020727      15.84209 
1 1 1 2   33 33 o 20.66635 8.777385 10.15428       30.93666 -21.38000      39.25995 61.81000       50.24786 18.73562 8.736085 31.57786 11.91324 -12.84224      14.77310 
1 1 1 2   33 34 o 26.01735 9.390372 37.90986       30.62942 -6.034000      38.39707 114.8000       50.79071 20.05865 9.085593 41.43087 11.89850 -21.37222      14.97071 
1 1 1 2   33 35 o 31.70734 9.160664 60.60963       30.02142 73.14000       38.05862 39.97000       48.84522 33.98400 10.43796 27.70322 11.33504 6.280777       15.40890 
1 1 1 2   33 36 o 45.66209 7.476442 117.1449       32.26078 129.0000       41.19324 98.34000       51.88090 46.29736 9.411102 37.55474 12.26930 8.742622       15.46301 
1 1 1 2   33 37 o 41.22949 8.093389 97.83767       31.49557 130.9000       40.77953 48.96000       49.58277 46.85757 9.219641 28.99614 11.57773 17.86143       14.80019 
1 1 1 2   33 38 f 15.41233 7.255455 -21.56416      28.19501 -20.84000      35.45479 -22.81000      46.50362 17.58665 8.233522 19.98758 9.380560 -2.400928      12.48142 
1 1 1 2   33 39 o 31.31417 10.56022 62.85000       38.35857 62.85000       38.35857 0.000000       0.000000 31.31417 10.56022 ?        ?        ?              ?        
1 1 1 2   33 40 o 28.37574 9.235961 48.73174       29.41273 60.16000       36.96165 29.00000       48.56729 30.76612 10.36613 25.83225 10.98553 4.933876       15.10426 
1 1 1 2   33 41 o 26.12591 10.92875 32.80000       46.80461 0.000000       0.000000 32.80000       46.80461 ?        ?        26.12591 10.92875 ?              ?        
1 1 1 2   33 42 o 28.68056 9.220588 50.39345       29.37021 0.000000       0.000000 50.39345       29.37021 ?        ?        28.68056 9.220588 ?              ?        
1 1 1 2   33 43 o 27.95786 9.071171 47.55161       28.38485 0.000000       0.000000 47.55161       28.38485 ?        ?        27.95786 9.071171 ?              ?        
1 1 1 2   33 44 o 18.92355 8.193671 6.643046       27.94175 0.000000       0.000000 6.643046       27.94175 ?        ?        18.92355 8.193671 ?              ?        
1 1 1 2   33 45 o 21.54492 8.700082 21.37206       28.33345 0.000000       0.000000 21.37206       28.33345 ?        ?        21.54492 8.700082 ?              ?        
1 1 1 2   33 46 o 20.47171 8.483697 16.70960       27.82503 0.000000       0.000000 16.70960       27.82503 ?        ?        20.47171 8.483697 ?              ?        
1 1 1 2   34 0  o 130.8687 4.968532 857.3501       63.53023 0.000000       0.000000 857.3501       63.53023 ?        ?        130.8687 4.968532 ?              ?        
1 1 1 2   34 1  o 54.14865 5.154552 148.0409       26.99109 140.7000       49.47097 151.1523       32.20705 50.58088 10.34144 54.37109 6.160098 -3.790203      12.03712 
1 1 1 2   34 2  o 45.31721 6.372021 105.8516       27.48524 82.39000       49.85559 116.0957       32.94372 38.36544 11.97426 47.11324 7.386307 -8.747795      14.06913 
1 1 1 2   34 3  o 95.86353 4.096763 457.1599       38.35287 496.8000       67.09382 437.9203       46.74265 98.44073 7.008928 93.39122 5.133037 5.049515       8.687528 
1 1 1 2   34 4  o 79.88854 3.605729 316.5428       28.12308 376.6000       59.20504 299.0432       31.95879 85.56992 7.133394 77.45033 4.231692 8.119598       8.294126 
1 1 1 2   34 5  o 104.5387 3.442818 541.0283       35.18069 700.5000       77.56219 499.7210       39.47497 117.0924 6.796510 100.2511 4.031002 16.84129       7.901995 
1 1 1 2   34 6  o 25.32158 7.629757 33.49763       20.46646 71.46000       41.67313 21.43068       23.49515 35.95585 10.89871 22.24188 8.193953 13.71397       13.63535 
1 1 1 2   34 7  o 99.05434 4.064657 488.1578       39.32602 0.000000       0.000000 488.1578       39.32602 ?        ?        99.05434 4.064657 ?              ?        
1 1 1 2   34 8  o 77.41911 3.619002 297.5127       27.34889 0.000000       0.000000 297.5127       27.34889 ?        ?        77.41911 3.619002 ?              ?        
1 1 1 2   34 9  o 26.16698 7.549798 36.21485       20.40425 0.000000       0.000000 36.21485       20.40425 ?        ?        26.16698 7.549798 ?              ?        
1 1 1 2   34 10 o 36.25108 6.699627 68.96964       22.89719 0.000000       0.000000 68.96964       22.89719 ?        ?        36.25108 6.699627 ?              ?        
1 1 1 2   34 11 o 135.1739 3.998699 909.1027       52.84940 1011.000       98.38974 867.7806       62.65556 140.0339 7.202312 131.5422 4.874613 8.491684       8.696847 
1 1 1 2   34 12 o 57.65221 3.859158 165.8147       21.65242 175.4000       46.26903 163.1270       24.50074 57.33146 8.502244 57.01168 4.425073 0.3197784      9.584854 
1 1 1 2   34 13 o 22.19971 8.304740 20.97494       24.30726 23.52000       40.12935 19.50000       30.54920 25.91152 10.39209 23.22783 9.147167 2.683689       13.84436 
1 1 1 2   34 14 o 35.43255 5.494244 64.75867       18.43873 49.37000       41.32301 68.58429       20.60358 30.84113 10.93266 36.31546 6.005977 -5.474331      12.47377 
1 1 1 2   34 15 o 65.14729 4.066284 212.3596       25.80057 163.3000       48.47323 231.7525       30.47630 54.54050 9.420307 67.85773 4.615828 -13.31724      10.49038 
1 1 1 2   34 16 o 66.54587 9.554773 243.2000       60.45424 0.000000       0.000000 243.2000       60.45424 ?        ?        66.54587 9.554773 ?              ?        
1 1 1 2   34 17 o 28.00442 4.962825 40.61893       13.10589 64.92000       40.83487 37.82826       13.83797 33.81895 10.87226 26.86834 5.448339 6.950607       12.16102 
1 1 1 2   34 18 o 46.82431 2.989742 108.9842       13.63128 112.5000       43.53956 108.6021       14.35283 44.27917 10.24856 46.70026 3.158454 -2.421093      10.72422 
1 1 1 2   34 19 o 27.61692 9.610459 40.28232       31.83109 35.95000       38.59986 49.49000       56.27307 27.42102 10.41948 31.58907 12.42237 -4.168045      16.21360 
1 1 1 2   34 20 o 39.37048 8.758763 86.92527       32.88257 83.40000       40.29742 93.95000       56.88472 37.64948 10.52680 38.81934 12.85565 -1.169853      16.61570 
1 1 1 2   34 21 o 30.13845 9.517325 51.41229       31.40424 56.84000       39.21666 41.71000       52.43238 31.50071 10.67747 29.70123 11.89010 1.799473       15.98070 
1 1 1 2   34 22 o 24.50688 9.130924 28.97020       29.32510 77.33000       36.06966 -65.32000      50.36549 36.39419 9.875648 18.49469 8.965350 17.89950       13.33814 
1 1 1 2   34 23 o 93.12164 5.182096 444.0785       47.04854 476.9000       62.64109 401.6000       71.26300 95.04364 6.777812 85.26433 8.658627 9.779312       10.99593 
1 1 1 2   34 24 o 61.93115 6.094936 201.0398       36.46922 216.9000       46.12835 174.6000       59.55824 63.22823 7.605885 53.18491 11.75386 10.04331       14.00010 
1 1 1 2   34 25 o 29.38281 9.513664 49.42963       31.23114 40.20000       38.43412 67.37000       53.58466 27.70096 10.42595 33.40201 12.36211 -5.701052      16.17164 
1 1 1 2   34 26 o 40.01860 8.860907 91.82781       33.79244 102.2000       43.60932 76.24000       53.46097 40.92914 10.74923 34.82085 12.42554 6.108295       16.42985 
1 1 1 2   34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   34 28 o 61.12780 9.155329 214.2000       53.09588 214.2000       53.09588 0.000000       0.000000 61.12780 9.155329 ?        ?        ?              ?        
1 1 1 2   34 29 o 40.32693 12.85474 110.3000       57.17532 0.000000       0.000000 110.3000       57.17532 ?        ?        40.32693 12.85474 ?              ?        
1 1 1 2   34 30 o 11.94972 5.990899 -78.22365      30.17309 -81.80000      38.78369 -72.74000      48.02460 14.29487 7.107556 17.14450 8.406739 -2.849631      11.00866 
1 1 1 2   34 31 o 64.96098 6.124502 224.0778       38.48341 241.9000       50.33354 199.0000       59.70651 65.80145 7.977493 56.39465 11.21121 9.406799       13.75979 
1 1 1 2   34 32 o 32.43192 9.545522 63.96012       32.33045 40.72000       41.15924 101.4000       52.24147 27.32469 10.65971 38.49891 12.28930 -11.17422      16.26826 
1 1 1 2   34 33 o 29.82089 9.344503 53.74222       30.33064 39.12000       38.24137 78.54000       49.80045 26.67722 10.31151 34.09910 12.00956 -7.421883      15.82899 
1 1 1 2   34 34 o 18.22219 8.032145 0.7267402      27.91470 1.687000       34.92549 -0.9717000     46.44867 20.09024 8.913645 22.10423 10.00442 -2.013987      13.39931 
1 1 1 2   34 35 o 17.58677 7.890437 -4.078330      28.17775 34.21000       35.34411 -70.86000      46.67802 25.41596 9.888562 16.72760 8.219615 8.688354       12.85868 
1 1 1 2   34 36 o 34.43139 9.212788 72.34481       31.65775 34.05000       39.89063 137.5000       52.03259 25.75195 10.34972 45.29303 11.66564 -19.54108      15.59499 
1 1 1 2   34 37 o 18.60399 8.184643 1.930773       28.85487 8.217000       35.80223 -9.721000      48.74287 21.10053 9.203976 21.56484 9.943040 -0.4643078     13.54907 
1 1 1 2   34 38 o 33.12633 10.56164 71.33000       38.59464 71.33000       38.59464 0.000000       0.000000 33.12633 10.56164 ?        ?        ?              ?        
1 1 1 2   34 39 o 35.66022 12.16282 90.03000       50.89617 0.000000       0.000000 90.03000       50.89617 ?        ?        35.66022 12.16282 ?              ?        
1 1 1 2   34 40 o 29.49274 11.62479 55.34000       49.37924 0.000000       0.000000 55.34000       49.37924 ?        ?        29.49274 11.62479 ?              ?        
1 1 1 2   34 41 o 30.93549 9.076737 59.00134       29.27160 0.000000       0.000000 59.00134       29.27160 ?        ?        30.93549 9.076737 ?              ?        
1 1 1 2   34 42 o 17.41208 7.820137 -3.117982      27.75698 0.000000       0.000000 -3.117982      27.75698 ?        ?        17.41208 7.820137 ?              ?        
1 1 1 2   34 43 o 16.99258 7.712636 -5.831693      27.84204 0.000000       0.000000 -5.831693      27.84204 ?        ?        16.99258 7.712636 ?              ?        
1 1 1 2   34 44 o 25.66715 9.123778 40.25706       28.79758 0.000000       0.000000 40.25706       28.79758 ?        ?        25.66715 9.123778 ?              ?        
1 1 1 2   34 45 o 26.32443 9.182826 43.47416       29.07080 0.000000       0.000000 43.47416       29.07080 ?        ?        26.32443 9.182826 ?              ?        
1 1 1 2   35 0  o 87.78123 4.800138 386.8453       41.08712 0.000000       0.000000 386.8453       41.08712 ?        ?        87.78123 4.800138 ?              ?        
1 1 1 2   35 1  o 90.95416 4.006470 412.1143       35.58146 0.000000       0.000000 412.1143       35.58146 ?        ?        90.95416 4.006470 ?              ?        
1 1 1 2   35 2  o 42.87751 5.437789 93.96585       22.30969 91.67000       45.65101 94.68621       25.57127 40.12687 11.19869 42.74440 6.300501 -2.617523      12.84940 
1 1 1 2   35 3  f 104.2384 4.090057 541.4971       41.65043 535.8000       70.14860 544.5990       51.76200 101.8918 7.077527 104.0228 5.099195 -2.131065      8.723140 
1 1 1 2   35 4  o 38.93734 7.100045 80.03807       26.06363 75.04000       42.61323 83.02534       32.94430 36.51403 11.01092 38.99890 8.835593 -2.484871      14.11765 
1 1 1 2   35 5  o 70.73473 4.545405 250.9957       31.30450 208.3000       50.06064 278.4125       40.11551 62.60212 8.379886 74.06840 5.574057 -11.46627      10.06442 
1 1 1 2   35 6  o 49.82484 4.673555 125.2364       22.52682 182.5000       43.82139 104.6689       26.26256 58.83732 7.801028 45.02477 6.117148 13.81255       9.913403 
1 1 1 2   35 7  o 48.42652 4.827670 118.6231       22.57918 0.000000       0.000000 118.6231       22.57918 ?        ?        48.42652 4.827670 ?              ?        
1 1 1 2   35 8  o 23.43233 7.736714 27.82125       20.60725 0.000000       0.000000 27.82125       20.60725 ?        ?        23.43233 7.736714 ?              ?        
1 1 1 2   35 9  o 67.40208 3.911852 226.7658       25.69755 0.000000       0.000000 226.7658       25.69755 ?        ?        67.40208 3.911852 ?              ?        
1 1 1 2   35 10 o 59.29862 4.091511 176.1222       23.60282 0.000000       0.000000 176.1222       23.60282 ?        ?        59.29862 4.091511 ?              ?        
1 1 1 2   35 11 o 39.39250 5.488298 79.94497       20.58822 0.000000       0.000000 79.94497       20.58822 ?        ?        39.39250 5.488298 ?              ?        
1 1 1 2   35 12 o 69.58939 4.663165 244.2075       31.58029 0.000000       0.000000 244.2075       31.58029 ?        ?        69.58939 4.663165 ?              ?        
1 1 1 2   35 13 o 108.8064 3.972228 591.5800       42.23432 667.0000       75.32253 556.9943       51.00700 113.3192 6.822308 104.9588 4.979029 8.360329       8.445982 
1 1 1 2   35 14 f 39.13178 9.001330 85.55303       33.75927 53.61000       43.89621 131.8000       52.81784 31.44434 11.25490 47.16227 11.53782 -15.71792      16.11813 
1 1 1 2   35 15 o 40.70548 6.007882 86.58637       23.21899 0.000000       0.000000 86.58637       23.21899 ?        ?        40.70548 6.007882 ?              ?        
1 1 1 2   35 16 o 25.02197 5.801286 33.28658       13.93152 83.70000       39.71299 26.21184       14.87698 37.84731 10.40043 22.21620 6.457584 15.63111       12.24211 
1 1 1 2   35 17 o 46.23628 3.477384 107.0807       15.62240 140.9000       43.45637 102.0613       16.74163 50.04827 9.209977 45.02185 3.835474 5.026421       9.976700 
1 1 1 2   35 18 o 70.09923 2.878791 243.9810       19.71081 251.4000       50.02902 242.6178       21.44541 68.36082 7.605275 69.80588 3.146691 -1.445053      8.230545 
1 1 1 2   35 19 o 26.80387 9.417747 38.31908       30.61176 48.06000       37.34188 18.36000       53.45231 29.45055 10.39706 26.58698 11.42073 2.863573       15.44448 
1 1 1 2   35 20 o 54.15514 6.648067 155.6195       34.50197 168.8000       42.90561 131.5000       58.04069 55.40318 8.155524 45.32438 12.61912 10.07880       15.02514 
1 1 1 2   35 21 o 38.79140 8.477597 84.96930       31.28836 77.14000       37.63204 102.5000       56.31136 35.98281 10.21217 39.75039 12.76626 -3.767578      16.34827 
1 1 1 2   35 22 o 81.04359 5.394212 338.8721       42.54747 329.4000       53.07827 355.9000       71.16599 78.56938 6.974096 79.18230 9.362934 -0.6129227     11.67487 
1 1 1 2   35 23 o 97.91407 5.265314 493.5564       50.27769 581.0000       67.44748 384.2000       75.42648 104.7964 6.608921 81.85932 9.595378 22.93710       11.65114 
1 1 1 2   35 24 o 56.66015 6.697865 171.6153       36.42939 173.9000       47.06263 168.2000       57.54037 55.26736 9.009735 51.98376 11.60269 3.283600       14.69006 
1 1 1 2   35 25 o 27.64658 10.77676 39.20000       42.04141 39.20000       42.04141 0.000000       0.000000 27.64658 10.77676 ?        ?        ?              ?        
1 1 1 2   35 26 o 65.03655 8.554626 238.6000       53.13923 238.6000       53.13923 0.000000       0.000000 65.03655 8.554626 ?        ?        ?              ?        
1 1 1 2   35 27 o 42.45157 8.726063 103.9110       35.04669 90.78000       45.73027 122.6000       54.55676 37.63605 11.41878 42.98165 12.32792 -5.345592      16.80376 
1 1 1 2   35 28 o 33.77341 12.28192 74.43000       52.52572 0.000000       0.000000 74.43000       52.52572 ?        ?        33.77341 12.28192 ?              ?        
1 1 1 2   35 29 o 32.61971 12.17322 68.14000       52.16324 0.000000       0.000000 68.14000       52.16324 ?        ?        32.61971 12.17322 ?              ?        
1 1 1 2   35 30 o 24.92605 10.05342 29.07000       37.78403 29.07000       37.78403 0.000000       0.000000 24.92605 10.05342 ?        ?        ?              ?        
1 1 1 2   35 31 o 22.38107 8.788896 23.26753       28.13382 15.47000       33.49955 41.93000       51.82570 21.85685 9.200852 28.09387 11.60424 -6.237028      14.80926 
1 1 1 2   35 32 o 25.54331 9.057300 37.20405       28.36382 1.748000       34.51905 110.9000       49.76631 19.98920 8.865606 40.32834 11.83584 -20.33914      14.78804 
1 1 1 2   35 33 o 33.23228 8.951580 66.74550       29.76614 81.70000       37.25592 40.35000       49.49648 35.89361 10.15226 27.55279 11.35660 8.340820       15.23289 
1 1 1 2   35 34 o 26.41446 9.191509 40.73606       29.11614 5.467000       35.82170 109.4000       49.98200 20.75808 9.126278 39.92137 11.89899 -19.16329      14.99583 
1 1 1 2   35 35 o 36.84795 8.642024 81.01925       30.62714 84.52000       38.63657 75.10000       50.24021 36.20846 10.37103 33.00153 12.01018 3.206928       15.86829 
1 1 1 2   35 36 o 42.30587 9.891145 111.9000       40.22235 111.9000       40.22235 0.000000       0.000000 42.30587 9.891145 ?        ?        ?              ?        
1 1 1 2   35 37 o 26.69931 11.19079 35.91000       49.22379 0.000000       0.000000 35.91000       49.22379 ?        ?        26.69931 11.19079 ?              ?        
1 1 1 2   35 38 f 25.77857 10.98742 29.63000       48.77532 0.000000       0.000000 29.63000       48.77532 ?        ?        25.77857 10.98742 ?              ?        
1 1 1 2   35 39 o 23.55552 8.999406 29.58333       28.89428 0.000000       0.000000 29.58333       28.89428 ?        ?        23.55552 8.999406 ?              ?        
1 1 1 2   35 40 o 32.92995 9.054537 66.95180       30.08954 0.000000       0.000000 66.95180       30.08954 ?        ?        32.92995 9.054537 ?              ?        
1 1 1 2   35 41 o 19.38484 8.347616 8.631520       28.69118 0.000000       0.000000 8.631520       28.69118 ?        ?        19.38484 8.347616 ?              ?        
1 1 1 2   35 42 o 18.39127 8.071441 4.118105       27.90700 0.000000       0.000000 4.118105       27.90700 ?        ?        18.39127 8.071441 ?              ?        
1 1 1 2   35 43 o 30.23910 9.153778 58.70193       29.41076 0.000000       0.000000 58.70193       29.41076 ?        ?        30.23910 9.153778 ?              ?        
1 1 1 2   36 0  o 44.53362 5.070973 101.1701       21.71142 44.55000       46.43844 117.0085       24.56109 30.21983 11.44112 47.83104 5.336862 -17.61120      12.62463 
1 1 1 2   36 1  o 63.85380 4.428133 205.0905       27.50521 0.000000       0.000000 205.0905       27.50521 ?        ?        63.85380 4.428133 ?              ?        
1 1 1 2   36 2  o 28.25944 8.013785 43.33025       23.18315 0.000000       0.000000 43.33025       23.18315 ?        ?        28.25944 8.013785 ?              ?        
1 1 1 2   36 3  o 79.01145 3.633379 311.0008       28.02482 278.2000       54.40672 322.8468       32.69608 72.47224 7.791886 80.28096 4.175147 -7.808723      8.839986 
1 1 1 2   36 4  f 50.36906 5.583769 130.2270       27.06756 117.8000       43.55661 138.0453       34.54846 45.66244 10.02083 51.18280 7.085868 -5.520367      12.27300 
1 1 1 2   36 5  o 35.02466 7.507180 66.24971       24.96341 47.82000       37.12603 81.45802       33.72561 29.93384 10.38121 38.21107 9.140121 -8.277239      13.83153 
1 1 1 2   36 6  o 17.02928 7.131859 4.538183       19.96733 0.000000       0.000000 4.538183       19.96733 ?        ?        17.02928 7.131859 ?              ?        
1 1 1 2   36 7  o 65.59872 4.050678 215.7529       25.88247 0.000000       0.000000 215.7529       25.88247 ?        ?        65.59872 4.050678 ?              ?        
1 1 1 2   36 8  o 58.63911 4.341182 173.2706       24.74062 0.000000       0.000000 173.2706       24.74062 ?        ?        58.63911 4.341182 ?              ?        
1 1 1 2   36 9  f 41.86078 5.614384 90.72999       22.42514 0.000000       0.000000 90.72999       22.42514 ?        ?        41.86078 5.614384 ?              ?        
1 1 1 2   36 10 o 40.12315 6.256597 84.63419       23.77068 0.000000       0.000000 84.63419       23.77068 ?        ?        40.12315 6.256597 ?              ?        
1 1 1 2   36 11 o 22.90047 7.866305 26.53678       21.29789 0.000000       0.000000 26.53678       21.29789 ?        ?        22.90047 7.866305 ?              ?        
1 1 1 2   36 12 o 42.04483 8.888059 99.17526       35.43259 0.000000       0.000000 99.17526       35.43259 ?        ?        42.04483 8.888059 ?              ?        
1 1 1 2   36 13 o 73.83146 4.445070 275.6740       31.97497 0.000000       0.000000 275.6740       31.97497 ?        ?        73.83146 4.445070 ?              ?        
1 1 1 2   36 14 o 47.56072 6.815371 120.5809       30.82250 0.000000       0.000000 120.5809       30.82250 ?        ?        47.56072 6.815371 ?              ?        
1 1 1 2   36 15 o 46.04574 5.613527 110.3378       24.77831 0.000000       0.000000 110.3378       24.77831 ?        ?        46.04574 5.613527 ?              ?        
1 1 1 2   36 16 o 19.98731 6.255816 20.86317       13.59772 46.53000       34.37294 16.10124       14.80546 28.89486 9.990511 18.43817 6.543184 10.45669       11.94251 
1 1 1 2   36 17 o 53.77568 3.244353 144.5096       16.99791 163.7000       40.38868 140.3789       18.73820 54.77967 7.748470 52.85670 3.644078 1.922966       8.562598 
1 1 1 2   36 18 o 38.20867 3.235495 73.22262       11.98700 110.6000       36.32494 68.65498       12.69832 44.21292 8.703603 36.89468 3.560396 7.318237       9.403676 
1 1 1 2   36 19 o 77.64469 5.322110 310.9490       40.20383 328.5000       51.05446 282.3000       65.22853 78.67150 6.693443 69.94447 9.795677 8.727028       11.86413 
1 1 1 2   36 20 o 69.85021 5.669730 253.9083       38.43168 263.3000       48.19110 237.5000       63.69833 69.95504 7.137784 63.10024 10.69468 6.854797       12.85785 
1 1 1 2   36 21 o 24.81622 9.368452 30.55747       31.08533 72.59000       37.35177 -64.15000      56.06742 34.66304 10.27510 19.61625 9.497160 15.04679       13.99192 
1 1 1 2   36 22 o 39.34372 9.021575 89.81861       34.00044 110.9000       41.83674 48.81000       58.35065 43.01709 10.10830 30.48527 12.42091 12.53182       16.01427 
1 1 1 2   36 23 o 54.92617 7.111938 163.7951       37.33934 231.3000       48.34593 64.00000       58.78237 64.78579 7.779263 32.51730 12.72342 32.26849       14.91316 
1 1 1 2   36 24 o 51.73326 9.862287 159.0000       48.11818 159.0000       48.11818 0.000000       0.000000 51.73326 9.862287 ?        ?        ?              ?        
1 1 1 2   36 25 o 48.21438 7.748751 129.6658       35.33035 152.6000       45.97539 96.59000       55.21273 50.81549 9.594820 37.68866 12.66939 13.12683       15.89257 
1 1 1 2   36 26 o 33.10781 12.19819 71.03000       52.07149 0.000000       0.000000 71.03000       52.07149 ?        ?        33.10781 12.19819 ?              ?        
1 1 1 2   36 27 o 40.94461 12.52422 115.2000       54.86404 0.000000       0.000000 115.2000       54.86404 ?        ?        40.94461 12.52422 ?              ?        
1 1 1 2   36 28 o 28.24687 9.563871 47.50734       31.46255 57.47000       39.88686 31.10000       51.18718 30.39971 10.74431 26.70357 11.31379 3.696140       15.60263 
1 1 1 2   36 29 o 17.33022 7.812306 -5.521117      27.99317 -30.37000      34.14255 45.44000       48.89472 16.35212 7.781645 28.33582 11.43368 -11.98370      13.83051 
1 1 1 2   36 30 o 25.43294 8.979687 36.98018       27.85524 45.25000       33.99073 20.07000       48.60566 27.55112 9.898832 24.76627 10.76457 2.784842       14.62405 
1 1 1 2   36 31 o 33.62369 11.98346 77.89000       49.70945 0.000000       0.000000 77.89000       49.70945 ?        ?        33.62369 11.98346 ?              ?        
1 1 1 2   36 32 o 18.37396 8.401978 -9.483000      33.83168 -9.483000      33.83168 0.000000       0.000000 18.37396 8.401978 ?        ?        ?              ?        
1 1 1 2   36 33 o 30.36333 10.40724 58.90000       37.27366 58.90000       37.27366 0.000000       0.000000 30.36333 10.40724 ?        ?        ?              ?        
1 1 1 2   36 34 o 30.19828 11.80924 59.25000       50.61469 0.000000       0.000000 59.25000       50.61469 ?        ?        30.19828 11.80924 ?              ?        
1 1 1 2   36 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   36 36 o 21.24537 8.763300 17.43989       29.50115 0.000000       0.000000 17.43989       29.50115 ?        ?        21.24537 8.763300 ?              ?        
1 1 1 2   36 37 o 15.97916 7.904245 -77.15000      45.67719 0.000000       0.000000 -77.15000      45.67719 ?        ?        15.97916 7.904245 ?              ?        
1 1 1 2   36 38 o 37.50853 8.639520 84.90240       31.06531 0.000000       0.000000 84.90240       31.06531 ?        ?        37.50853 8.639520 ?              ?        
1 1 1 2   36 39 o 34.05441 9.102943 72.26521       30.92619 0.000000       0.000000 72.26521       30.92619 ?        ?        34.05441 9.102943 ?              ?        
1 1 1 2   36 40 o 27.58052 9.359954 47.72445       30.13646 0.000000       0.000000 47.72445       30.13646 ?        ?        27.58052 9.359954 ?              ?        
1 1 1 2   36 41 o 26.50736 9.305072 44.02858       29.87900 0.000000       0.000000 44.02858       29.87900 ?        ?        26.50736 9.305072 ?              ?        
1 1 1 2   36 42 o 21.65491 8.730637 22.89936       28.48296 0.000000       0.000000 22.89936       28.48296 ?        ?        21.65491 8.730637 ?              ?        
1 1 1 2   37 0  o 57.77153 4.061108 167.9629       22.81860 158.8000       47.98019 170.6412       25.93994 53.04000 9.594815 58.00676 4.606413 -4.966755      10.64328 
1 1 1 2   37 1  f 25.75579 7.347414 35.99776       19.43024 47.28000       41.61628 32.85283       21.97207 29.81241 10.91822 24.82510 7.974617 4.987307       13.52043 
1 1 1 2   37 2  o 26.34381 7.962282 37.79266       22.26472 0.000000       0.000000 37.79266       22.26472 ?        ?        26.34381 7.962282 ?              ?        
1 1 1 2   37 3  o 28.17212 8.159977 43.81219       23.79290 0.000000       0.000000 43.81219       23.79290 ?        ?        28.17212 8.159977 ?              ?        
1 1 1 2   37 4  o 90.88670 3.504115 412.1507       31.11506 461.9000       64.27959 396.9266       35.55861 93.55986 7.071386 88.87813 4.098399 4.681732       8.173211 
1 1 1 2   37 5  o 57.13646 5.223121 167.4703       28.88847 0.000000       0.000000 167.4703       28.88847 ?        ?        57.13646 5.223121 ?              ?        
1 1 1 2   37 6  o 28.35411 7.567935 44.26448       21.39533 0.000000       0.000000 44.26448       21.39533 ?        ?        28.35411 7.567935 ?              ?        
1 1 1 2   37 7  o 46.62303 5.311422 112.2503       23.80741 0.000000       0.000000 112.2503       23.80741 ?        ?        46.62303 5.311422 ?              ?        
1 1 1 2   37 8  o 42.13237 5.789434 92.88879       23.24518 0.000000       0.000000 92.88879       23.24518 ?        ?        42.13237 5.789434 ?              ?        
1 1 1 2   37 9  o 68.88882 4.414377 240.3969       29.60962 0.000000       0.000000 240.3969       29.60962 ?        ?        68.88882 4.414377 ?              ?        
1 1 1 2   37 10 o 47.85278 8.181345 126.5821       36.94519 0.000000       0.000000 126.5821       36.94519 ?        ?        47.85278 8.181345 ?              ?        
1 1 1 2   37 11 o 38.01870 5.720557 75.87711       20.62927 0.000000       0.000000 75.87711       20.62927 ?        ?        38.01870 5.720557 ?              ?        
1 1 1 2   37 12 o 41.40100 5.643569 89.68484       22.27544 0.000000       0.000000 89.68484       22.27544 ?        ?        41.40100 5.643569 ?              ?        
1 1 1 2   37 13 o 59.91302 3.814063 180.6972       22.25126 0.000000       0.000000 180.6972       22.25126 ?        ?        59.91302 3.814063 ?              ?        
1 1 1 2   37 14 o 36.13541 7.205336 71.56032       24.59106 0.000000       0.000000 71.56032       24.59106 ?        ?        36.13541 7.205336 ?              ?        
1 1 1 2   37 15 o 38.55890 4.603408 76.44781       17.03161 0.000000       0.000000 76.44781       17.03161 ?        ?        38.55890 4.603408 ?              ?        
1 1 1 2   37 16 o 65.68103 4.006783 217.9738       25.63721 0.000000       0.000000 217.9738       25.63721 ?        ?        65.68103 4.006783 ?              ?        
1 1 1 2   37 17 o 28.07442 4.947147 41.33564       13.09826 0.000000       0.000000 41.33564       13.09826 ?        ?        28.07442 4.947147 ?              ?        
1 1 1 2   37 18 o 43.68047 3.360411 95.86812       14.25730 0.000000       0.000000 95.86812       14.25730 ?        ?        43.68047 3.360411 ?              ?        
1 1 1 2   37 19 o 32.26194 12.26392 62.96000       53.48854 0.000000       0.000000 62.96000       53.48854 ?        ?        32.26194 12.26392 ?              ?        
1 1 1 2   37 20 o 54.39828 6.955913 160.1907       36.19152 196.9000       46.32692 102.7000       57.97549 59.33861 8.194610 38.85468 12.98145 20.48393       15.35153 
1 1 1 2   37 21 o 40.67608 8.359112 94.65421       32.16823 102.6000       39.21561 78.31000       56.24350 41.26800 9.846109 34.47493 12.68163 6.793068       16.05521 
1 1 1 2   37 22 o 32.68148 9.268696 63.63082       31.01079 92.39000       37.95263 5.860000       53.79078 39.00288 9.919779 24.46801 10.94550 14.53488       14.77180 
1 1 1 2   37 23 o 38.63290 10.11118 91.93000       38.67291 91.93000       38.67291 0.000000       0.000000 38.63290 10.11118 ?        ?        ?              ?        
1 1 1 2   37 24 o 22.25833 8.852325 21.33961       28.87387 4.050000       34.82990 59.33000       51.62933 20.57000 9.022717 31.06610 11.98841 -10.49610      15.00438 
1 1 1 2   37 25 o 32.50372 12.27735 69.41000       53.40308 0.000000       0.000000 69.41000       53.40308 ?        ?        32.50372 12.27735 ?              ?        
1 1 1 2   37 26 o 26.95591 9.300582 42.57304       29.78337 48.54000       36.86010 31.35000       50.55163 28.42676 10.29566 26.55485 11.24672 1.871912       15.24760 
1 1 1 2   37 27 o 25.39427 8.966351 36.80912       27.77275 26.85000       33.41959 59.04000       49.93085 23.76103 9.499201 30.43578 11.77764 -6.674747      15.13101 
1 1 1 2   37 28 f 46.60662 7.053538 120.9117       31.17303 110.9000       38.97029 138.7000       51.94555 42.47747 9.599510 45.42246 11.63348 -2.944996      15.08272 
1 1 1 2   37 29 o 33.07655 12.00309 75.53000       50.13172 0.000000       0.000000 75.53000       50.13172 ?        ?        33.07655 12.00309 ?              ?        
1 1 1 2   37 30 o 52.09083 11.11920 176.0000       54.96811 0.000000       0.000000 176.0000       54.96811 ?        ?        52.09083 11.11920 ?              ?        
1 1 1 2   37 31 o 25.13484 10.83652 24.95000       48.46130 0.000000       0.000000 24.95000       48.46130 ?        ?        25.13484 10.83652 ?              ?        
1 1 1 2   37 32 o 19.55445 8.536741 5.601267       30.85515 0.000000       0.000000 5.601267       30.85515 ?        ?        19.55445 8.536741 ?              ?        
1 1 1 2   37 33 o 29.37762 9.599759 53.89207       31.75982 0.000000       0.000000 53.89207       31.75982 ?        ?        29.37762 9.599759 ?              ?        
1 1 1 2   37 34 o 40.90534 10.27843 107.7000       41.09808 0.000000       0.000000 107.7000       41.09808 ?        ?        40.90534 10.27843 ?              ?        
1 1 1 2   37 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   37 36 o 38.05458 9.112966 89.38875       33.49585 0.000000       0.000000 89.38875       33.49585 ?        ?        38.05458 9.112966 ?              ?        
1 1 1 2   37 37 o 18.06363 8.083187 -1.312129      29.36160 0.000000       0.000000 -1.312129      29.36160 ?        ?        18.06363 8.083187 ?              ?        
1 1 1 2   37 38 o 41.32510 8.311687 102.1461       32.45464 0.000000       0.000000 102.1461       32.45464 ?        ?        41.32510 8.311687 ?              ?        
1 1 1 2   37 39 o 26.83956 9.285933 45.26049       29.69760 0.000000       0.000000 45.26049       29.69760 ?        ?        26.83956 9.285933 ?              ?        
1 1 1 2   37 40 o 26.84534 9.235287 45.99914       29.35928 0.000000       0.000000 45.99914       29.35928 ?        ?        26.84534 9.235287 ?              ?        
1 1 1 2   37 41 o 16.24499 7.991811 -60.61000      44.54640 0.000000       0.000000 -60.61000      44.54640 ?        ?        16.24499 7.991811 ?              ?        
1 1 1 2   38 0  o 21.91489 7.345288 24.91813       18.55972 15.10000       38.75879 27.83923       21.14115 23.48129 9.891414 23.08875 7.839518 0.3925476      12.62134 
1 1 1 2   38 1  o 63.75190 3.771046 204.2938       23.42701 175.2000       47.32781 213.7359       26.96180 55.76943 8.974349 64.97856 4.262628 -9.209129      9.935237 
1 1 1 2   38 2  o 43.91201 4.817539 99.06184       20.36731 91.33000       40.58279 101.6650       23.54758 39.04949 10.42304 44.14967 5.572869 -5.100178      11.81933 
1 1 1 2   38 3  o 30.93950 7.453795 53.02782       22.30444 0.000000       0.000000 53.02782       22.30444 ?        ?        30.93950 7.453795 ?              ?        
1 1 1 2   38 4  o 39.18097 6.448664 82.06787       23.87188 0.000000       0.000000 82.06787       23.87188 ?        ?        39.18097 6.448664 ?              ?        
1 1 1 2   38 5  o 31.41264 6.889832 53.89583       20.60037 0.000000       0.000000 53.89583       20.60037 ?        ?        31.41264 6.889832 ?              ?        
1 1 1 2   38 6  o 18.95552 7.900016 8.455034       24.32339 0.000000       0.000000 8.455034       24.32339 ?        ?        18.95552 7.900016 ?              ?        
1 1 1 2   38 7  o 29.35010 7.475873 47.91203       21.53324 0.000000       0.000000 47.91203       21.53324 ?        ?        29.35010 7.475873 ?              ?        
1 1 1 2   38 8  o 50.13014 10.89598 152.1000       51.93568 0.000000       0.000000 152.1000       51.93568 ?        ?        50.13014 10.89598 ?              ?        
1 1 1 2   38 9  o 67.35480 3.893801 228.7425       25.56191 0.000000       0.000000 228.7425       25.56191 ?        ?        67.35480 3.893801 ?              ?        
1 1 1 2   38 10 o 34.37817 7.047429 64.84612       22.91767 0.000000       0.000000 64.84612       22.91767 ?        ?        34.37817 7.047429 ?              ?        
1 1 1 2   38 11 o 16.88902 7.185936 3.732797       20.79934 0.000000       0.000000 3.732797       20.79934 ?        ?        16.88902 7.185936 ?              ?        
1 1 1 2   38 12 o 23.71409 7.215374 30.73340       18.24154 0.000000       0.000000 30.73340       18.24154 ?        ?        23.71409 7.215374 ?              ?        
1 1 1 2   38 13 f 47.98223 4.172519 117.1583       19.40213 0.000000       0.000000 117.1583       19.40213 ?        ?        47.98223 4.172519 ?              ?        
1 1 1 2   38 14 o 24.78254 6.565635 33.65908       16.17883 0.000000       0.000000 33.65908       16.17883 ?        ?        24.78254 6.565635 ?              ?        
1 1 1 2   38 15 o 32.63143 5.070611 55.76215       15.67020 0.000000       0.000000 55.76215       15.67020 ?        ?        32.63143 5.070611 ?              ?        
1 1 1 2   38 16 o 11.55498 5.370162 -11.24525      14.64383 0.000000       0.000000 -11.24525      14.64383 ?        ?        11.55498 5.370162 ?              ?        
1 1 1 2   38 17 o 22.76884 5.757877 28.04612       12.83846 0.000000       0.000000 28.04612       12.83846 ?        ?        22.76884 5.757877 ?              ?        
1 1 1 2   38 18 o 42.59779 8.684100 104.9578       34.97973 0.000000       0.000000 104.9578       34.97973 ?        ?        42.59779 8.684100 ?              ?        
1 1 1 2   38 19 o 40.60489 8.963593 96.69865       34.67135 0.000000       0.000000 96.69865       34.67135 ?        ?        40.60489 8.963593 ?              ?        
1 1 1 2   38 20 o 63.35388 6.279054 214.6170       38.42627 0.000000       0.000000 214.6170       38.42627 ?        ?        63.35388 6.279054 ?              ?        
1 1 1 2   38 21 o 23.95914 9.854668 23.58000       37.16740 0.000000       0.000000 23.58000       37.16740 ?        ?        23.95914 9.854668 ?              ?        
1 1 1 2   38 22 o 78.76694 5.629945 326.5015       43.12024 0.000000       0.000000 326.5015       43.12024 ?        ?        78.76694 5.629945 ?              ?        
1 1 1 2   38 23 o 38.32243 8.910948 87.54541       32.79126 0.000000       0.000000 87.54541       32.79126 ?        ?        38.32243 8.910948 ?              ?        
1 1 1 2   38 24 o 45.04647 12.23011 140.4000       55.30089 0.000000       0.000000 140.4000       55.30089 ?        ?        45.04647 12.23011 ?              ?        
1 1 1 2   38 25 o 51.98940 7.091210 150.1801       35.14659 0.000000       0.000000 150.1801       35.14659 ?        ?        51.98940 7.091210 ?              ?        
1 1 1 2   38 26 o 54.50725 6.912536 164.4602       36.05236 0.000000       0.000000 164.4602       36.05236 ?        ?        54.50725 6.912536 ?              ?        
1 1 1 2   38 27 o 21.52176 8.854525 18.19940       30.01655 0.000000       0.000000 18.19940       30.01655 ?        ?        21.52176 8.854525 ?              ?        
1 1 1 2   38 28 o 37.11791 8.882454 83.18093       31.84017 0.000000       0.000000 83.18093       31.84017 ?        ?        37.11791 8.882454 ?              ?        
1 1 1 2   38 29 o 27.66145 9.450292 46.76965       30.72846 0.000000       0.000000 46.76965       30.72846 ?        ?        27.66145 9.450292 ?              ?        
1 1 1 2   38 30 o 48.03764 7.479001 131.0851       34.02238 0.000000       0.000000 131.0851       34.02238 ?        ?        48.03764 7.479001 ?              ?        
1 1 1 2   38 31 o 13.93031 6.761165 -38.70135      28.87823 0.000000       0.000000 -38.70135      28.87823 ?        ?        13.93031 6.761165 ?              ?        
1 1 1 2   38 32 o 46.48108 10.16917 137.4000       44.97718 0.000000       0.000000 137.4000       44.97718 ?        ?        46.48108 10.16917 ?              ?        
1 1 1 2   38 33 o 42.24134 8.350747 105.6563       33.30363 0.000000       0.000000 105.6563       33.30363 ?        ?        42.24134 8.350747 ?              ?        
1 1 1 2   38 34 o 25.00456 10.79741 26.69000       48.26099 0.000000       0.000000 26.69000       48.26099 ?        ?        25.00456 10.79741 ?              ?        
1 1 1 2   38 35 o 33.77483 9.274387 71.72337       31.59255 0.000000       0.000000 71.72337       31.59255 ?        ?        33.77483 9.274387 ?              ?        
1 1 1 2   38 36 o 25.33444 9.324513 38.37098       30.41405 0.000000       0.000000 38.37098       30.41405 ?        ?        25.33444 9.324513 ?              ?        
1 1 1 2   38 37 o 11.95872 6.056578 -107.0000      35.49121 0.000000       0.000000 -107.0000      35.49121 ?        ?        11.95872 6.056578 ?              ?        
1 1 1 2   38 38 o 18.15857 8.760571 -38.58000      46.67947 0.000000       0.000000 -38.58000      46.67947 ?        ?        18.15857 8.760571 ?              ?        
1 1 1 2   38 39 o 25.19128 9.216413 39.40139       29.64244 0.000000       0.000000 39.40139       29.64244 ?        ?        25.19128 9.216413 ?              ?        
1 1 1 2   39 0  o 36.54821 5.613788 70.49789       19.44178 77.26000       40.58530 68.48402       22.14841 35.41288 10.75996 35.53799 6.610352 -0.1251106     12.62828 
1 1 1 2   39 1  o 40.27387 5.130094 84.39365       19.76504 109.2000       39.10780 75.88375       22.90574 43.12573 9.519613 37.52288 6.470137 5.602852       11.51024 
1 1 1 2   39 2  o 21.28673 7.799254 21.91986       21.23923 0.000000       0.000000 21.91986       21.23923 ?        ?        21.28673 7.799254 ?              ?        
1 1 1 2   39 3  o 27.36474 7.173495 41.60924       19.44511 0.000000       0.000000 41.60924       19.44511 ?        ?        27.36474 7.173495 ?              ?        
1 1 1 2   39 4  o 44.63200 5.816651 105.0640       24.80722 0.000000       0.000000 105.0640       24.80722 ?        ?        44.63200 5.816651 ?              ?        
1 1 1 2   39 5  o 37.96321 7.053848 78.97849       25.24708 0.000000       0.000000 78.97849       25.24708 ?        ?        37.96321 7.053848 ?              ?        
1 1 1 2   39 6  o 35.59269 11.33509 79.95000       44.46450 0.000000       0.000000 79.95000       44.46450 ?        ?        35.59269 11.33509 ?              ?        
1 1 1 2   39 7  o 22.56597 8.788192 22.69321       27.93703 0.000000       0.000000 22.69321       27.93703 ?        ?        22.56597 8.788192 ?              ?        
1 1 1 2   39 8  f 25.62573 7.397755 36.57331       19.58560 0.000000       0.000000 36.57331       19.58560 ?        ?        25.62573 7.397755 ?              ?        
1 1 1 2   39 9  o 22.86246 7.919620 27.54502       21.60406 0.000000       0.000000 27.54502       21.60406 ?        ?        22.86246 7.919620 ?              ?        
1 1 1 2   39 10 o 28.73849 6.914825 45.74376       19.21425 0.000000       0.000000 45.74376       19.21425 ?        ?        28.73849 6.914825 ?              ?        
1 1 1 2   39 11 o 18.71092 7.071284 15.36406       17.72093 0.000000       0.000000 15.36406       17.72093 ?        ?        18.71092 7.071284 ?              ?        
1 1 1 2   39 12 o 19.47710 7.064315 18.25504       17.36166 0.000000       0.000000 18.25504       17.36166 ?        ?        19.47710 7.064315 ?              ?        
1 1 1 2   39 13 o 66.85358 3.520750 224.8882       22.95792 0.000000       0.000000 224.8882       22.95792 ?        ?        66.85358 3.520750 ?              ?        
1 1 1 2   39 14 o 49.18805 4.016642 123.1460       19.17054 0.000000       0.000000 123.1460       19.17054 ?        ?        49.18805 4.016642 ?              ?        
1 1 1 2   39 15 o 27.81629 7.964785 44.33842       22.79132 0.000000       0.000000 44.33842       22.79132 ?        ?        27.81629 7.964785 ?              ?        
1 1 1 2   39 16 o 43.23581 4.814970 97.06603       20.03181 0.000000       0.000000 97.06603       20.03181 ?        ?        43.23581 4.814970 ?              ?        
1 1 1 2   39 17 o 48.90322 3.543600 120.8677       16.84737 0.000000       0.000000 120.8677       16.84737 ?        ?        48.90322 3.543600 ?              ?        
1 1 1 2   39 18 o 63.57669 6.368917 217.1530       39.10108 0.000000       0.000000 217.1530       39.10108 ?        ?        63.57669 6.368917 ?              ?        
1 1 1 2   39 19 o 23.37548 9.351325 24.98218       32.40927 0.000000       0.000000 24.98218       32.40927 ?        ?        23.37548 9.351325 ?              ?        
1 1 1 2   39 20 o 24.51962 10.19365 25.77000       40.35295 0.000000       0.000000 25.77000       40.35295 ?        ?        24.51962 10.19365 ?              ?        
1 1 1 2   39 21 o 21.97552 9.019382 19.39889       31.04754 0.000000       0.000000 19.39889       31.04754 ?        ?        21.97552 9.019382 ?              ?        
1 1 1 2   39 22 o 20.35325 9.557515 -22.07000      48.39129 0.000000       0.000000 -22.07000      48.39129 ?        ?        20.35325 9.557515 ?              ?        
1 1 1 2   39 23 o 21.85632 9.088531 18.16757       32.08828 0.000000       0.000000 18.16757       32.08828 ?        ?        21.85632 9.088531 ?              ?        
1 1 1 2   39 24 o 41.62609 8.748723 103.6549       34.51244 0.000000       0.000000 103.6549       34.51244 ?        ?        41.62609 8.748723 ?              ?        
1 1 1 2   39 25 o 53.86530 7.316350 163.0137       37.57907 0.000000       0.000000 163.0137       37.57907 ?        ?        53.86530 7.316350 ?              ?        
1 1 1 2   39 26 f 24.36590 9.532254 31.41985       32.98885 0.000000       0.000000 31.41985       32.98885 ?        ?        24.36590 9.532254 ?              ?        
1 1 1 2   39 27 o 15.50560 7.379980 -27.31535      30.73362 0.000000       0.000000 -27.31535      30.73362 ?        ?        15.50560 7.379980 ?              ?        
1 1 1 2   39 28 o 31.66343 9.548526 63.40535       32.04532 0.000000       0.000000 63.40535       32.04532 ?        ?        31.66343 9.548526 ?              ?        
1 1 1 2   39 29 o 21.46208 8.865058 18.42756       30.24693 0.000000       0.000000 18.42756       30.24693 ?        ?        21.46208 8.865058 ?              ?        
1 1 1 2   39 30 o 26.26759 9.433909 41.43165       30.86933 0.000000       0.000000 41.43165       30.86933 ?        ?        26.26759 9.433909 ?              ?        
1 1 1 2   39 31 o 30.93202 10.99094 64.55000       41.78665 0.000000       0.000000 64.55000       41.78665 ?        ?        30.93202 10.99094 ?              ?        
1 1 1 2   39 32 o 19.59464 8.516427 7.716101       30.42114 0.000000       0.000000 7.716101       30.42114 ?        ?        19.59464 8.516427 ?              ?        
1 1 1 2   39 33 o 27.42901 11.27068 45.08000       48.55333 0.000000       0.000000 45.08000       48.55333 ?        ?        27.42901 11.27068 ?              ?        
1 1 1 2   39 34 o 39.94547 8.587194 97.11405       32.57636 0.000000       0.000000 97.11405       32.57636 ?        ?        39.94547 8.587194 ?              ?        
1 1 1 2   39 35 o 33.80615 9.183263 72.90984       31.16940 0.000000       0.000000 72.90984       31.16940 ?        ?        33.80615 9.183263 ?              ?        
1 1 1 2   39 36 o 40.53520 8.147123 99.21051       31.20287 0.000000       0.000000 99.21051       31.20287 ?        ?        40.53520 8.147123 ?              ?        
1 1 1 2   39 37 o 32.85883 9.200492 70.39810       30.75922 0.000000       0.000000 70.39810       30.75922 ?        ?        32.85883 9.200492 ?              ?        
1 1 1 2   40 0  o 51.18462 4.371179 134.0449       21.69061 120.9000       47.00258 137.6017       24.44971 43.87782 10.97322 51.58089 4.901431 -7.703079      12.01814 
1 1 1 2   40 1  o 40.65289 5.198914 86.45393       20.21478 0.000000       0.000000 86.45393       20.21478 ?        ?        40.65289 5.198914 ?              ?        
1 1 1 2   40 2  o 53.07233 4.317735 143.9153       22.23645 0.000000       0.000000 143.9153       22.23645 ?        ?        53.07233 4.317735 ?              ?        
1 1 1 2   40 3  o 41.08709 7.701663 94.62109       29.83620 0.000000       0.000000 94.62109       29.83620 ?        ?        41.08709 7.701663 ?              ?        
1 1 1 2   40 4  o 32.08594 6.720028 56.66625       20.42796 0.000000       0.000000 56.66625       20.42796 ?        ?        32.08594 6.720028 ?              ?        
1 1 1 2   40 5  o 35.53516 8.438474 73.14725       28.91178 0.000000       0.000000 73.14725       28.91178 ?        ?        35.53516 8.438474 ?              ?        
1 1 1 2   40 6  o 17.44660 6.989828 10.43340       18.13497 0.000000       0.000000 10.43340       18.13497 ?        ?        17.44660 6.989828 ?              ?        
1 1 1 2   40 7  o 32.11116 6.533813 56.58278       19.83706 0.000000       0.000000 56.58278       19.83706 ?        ?        32.11116 6.533813 ?              ?        
1 1 1 2   40 8  o 55.29623 5.773963 161.6416       30.79185 0.000000       0.000000 161.6416       30.79185 ?        ?        55.29623 5.773963 ?              ?        
1 1 1 2   40 9  o 28.39324 7.043890 45.18499       19.48185 0.000000       0.000000 45.18499       19.48185 ?        ?        28.39324 7.043890 ?              ?        
1 1 1 2   40 10 f 15.20184 6.585294 0.7789251      18.06577 0.000000       0.000000 0.7789251      18.06577 ?        ?        15.20184 6.585294 ?              ?        
1 1 1 2   40 11 o 56.01722 3.970943 159.6129       21.63202 0.000000       0.000000 159.6129       21.63202 ?        ?        56.01722 3.970943 ?              ?        
1 1 1 2   40 12 o 36.33067 5.300245 69.79713       18.29349 0.000000       0.000000 69.79713       18.29349 ?        ?        36.33067 5.300245 ?              ?        
1 1 1 2   40 13 o 31.52119 5.821537 53.63025       17.30015 0.000000       0.000000 53.63025       17.30015 ?        ?        31.52119 5.821537 ?              ?        
1 1 1 2   40 14 o 47.27814 4.112710 114.3388       18.84326 0.000000       0.000000 114.3388       18.84326 ?        ?        47.27814 4.112710 ?              ?        
1 1 1 2   40 15 o 23.86946 8.009668 31.85334       22.06841 0.000000       0.000000 31.85334       22.06841 ?        ?        23.86946 8.009668 ?              ?        
1 1 1 2   40 16 f 56.36134 4.234960 162.9109       23.19256 0.000000       0.000000 162.9109       23.19256 ?        ?        56.36134 4.234960 ?              ?        
1 1 1 2   40 17 o 24.18631 5.663332 31.96325       13.17000 0.000000       0.000000 31.96325       13.17000 ?        ?        24.18631 5.663332 ?              ?        
1 1 1 2   40 18 f 34.08482 11.27810 78.62000       43.78303 0.000000       0.000000 78.62000       43.78303 ?        ?        34.08482 11.27810 ?              ?        
1 1 1 2   40 19 f 22.47689 9.153270 21.97575       31.66825 0.000000       0.000000 21.97575       31.66825 ?        ?        22.47689 9.153270 ?              ?        
1 1 1 2   40 20 f 27.87960 9.721759 47.77636       32.58156 0.000000       0.000000 47.77636       32.58156 ?        ?        27.87960 9.721759 ?              ?        
1 1 1 2   40 21 o 48.21022 11.87171 159.7000       55.64451 0.000000       0.000000 159.7000       55.64451 ?        ?        48.21022 11.87171 ?              ?        
1 1 1 2   40 22 o 34.98078 9.625826 77.05080       33.99149 0.000000       0.000000 77.05080       33.99149 ?        ?        34.98078 9.625826 ?              ?        
1 1 1 2   40 23 o 22.28551 9.137614 21.21994       31.82695 0.000000       0.000000 21.21994       31.82695 ?        ?        22.28551 9.137614 ?              ?        
1 1 1 2   40 24 o 34.14373 9.577863 73.87482       33.30182 0.000000       0.000000 73.87482       33.30182 ?        ?        34.14373 9.577863 ?              ?        
1 1 1 2   40 25 o 25.62587 9.537909 38.31001       31.98143 0.000000       0.000000 38.31001       31.98143 ?        ?        25.62587 9.537909 ?              ?        
1 1 1 2   40 26 o 18.76457 8.319055 1.834622       30.36336 0.000000       0.000000 1.834622       30.36336 ?        ?        18.76457 8.319055 ?              ?        
1 1 1 2   40 27 o 26.66648 9.580137 43.27954       31.83648 0.000000       0.000000 43.27954       31.83648 ?        ?        26.66648 9.580137 ?              ?        
1 1 1 2   40 28 o 30.94804 9.683984 61.30750       32.58622 0.000000       0.000000 61.30750       32.58622 ?        ?        30.94804 9.683984 ?              ?        
1 1 1 2   40 29 o 45.72577 10.43042 136.5000       45.64775 0.000000       0.000000 136.5000       45.64775 ?        ?        45.72577 10.43042 ?              ?        
1 1 1 2   40 30 o 34.96681 9.334424 77.46674       32.54585 0.000000       0.000000 77.46674       32.54585 ?        ?        34.96681 9.334424 ?              ?        
1 1 1 2   40 31 o 26.55753 11.09474 39.73000       48.14260 0.000000       0.000000 39.73000       48.14260 ?        ?        26.55753 11.09474 ?              ?        
1 1 1 2   40 32 o 22.85719 9.037916 27.39487       29.93320 0.000000       0.000000 27.39487       29.93320 ?        ?        22.85719 9.037916 ?              ?        
1 1 1 2   40 33 o 24.70325 9.233987 36.49881       30.03914 0.000000       0.000000 36.49881       30.03914 ?        ?        24.70325 9.233987 ?              ?        
1 1 1 2   40 34 o 27.89278 9.398616 50.68512       30.38404 0.000000       0.000000 50.68512       30.38404 ?        ?        27.89278 9.398616 ?              ?        
1 1 1 2   40 35 o 22.81407 8.924772 29.36133       28.91710 0.000000       0.000000 29.36133       28.91710 ?        ?        22.81407 8.924772 ?              ?        
1 1 1 2   41 0  o 23.66248 7.366141 31.30069       18.87989 0.000000       0.000000 31.30069       18.87989 ?        ?        23.66248 7.366141 ?              ?        
1 1 1 2   41 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   41 2  o 16.46105 6.925238 5.477722       18.95987 0.000000       0.000000 5.477722       18.95987 ?        ?        16.46105 6.925238 ?              ?        
1 1 1 2   41 3  o 48.07418 4.744546 119.8819       22.03535 0.000000       0.000000 119.8819       22.03535 ?        ?        48.07418 4.744546 ?              ?        
1 1 1 2   41 4  o 19.59852 7.719206 15.92395       21.75879 0.000000       0.000000 15.92395       21.75879 ?        ?        19.59852 7.719206 ?              ?        
1 1 1 2   41 5  o 45.55276 4.789997 107.8673       21.03857 0.000000       0.000000 107.8673       21.03857 ?        ?        45.55276 4.789997 ?              ?        
1 1 1 2   41 6  o 27.56886 9.071548 44.86477       28.33998 0.000000       0.000000 44.86477       28.33998 ?        ?        27.56886 9.071548 ?              ?        
1 1 1 2   41 7  o 11.94250 5.761792 -27.24578      20.19509 0.000000       0.000000 -27.24578      20.19509 ?        ?        11.94250 5.761792 ?              ?        
1 1 1 2   41 8  o 17.50783 7.334385 7.362307       21.12670 0.000000       0.000000 7.362307       21.12670 ?        ?        17.50783 7.334385 ?              ?        
1 1 1 2   41 9  o 21.58559 7.353122 25.07770       18.60108 0.000000       0.000000 25.07770       18.60108 ?        ?        21.58559 7.353122 ?              ?        
1 1 1 2   41 10 o 37.06472 5.380030 73.04578       18.94898 0.000000       0.000000 73.04578       18.94898 ?        ?        37.06472 5.380030 ?              ?        
1 1 1 2   41 11 f 47.56750 4.340336 116.6312       19.98637 0.000000       0.000000 116.6312       19.98637 ?        ?        47.56750 4.340336 ?              ?        
1 1 1 2   41 12 o 37.29753 5.231097 73.79004       18.57332 0.000000       0.000000 73.79004       18.57332 ?        ?        37.29753 5.231097 ?              ?        
1 1 1 2   41 13 o 52.04416 3.980913 138.6025       20.12575 0.000000       0.000000 138.6025       20.12575 ?        ?        52.04416 3.980913 ?              ?        
1 1 1 2   41 14 o 26.30456 6.395663 38.72384       16.30557 0.000000       0.000000 38.72384       16.30557 ?        ?        26.30456 6.395663 ?              ?        
1 1 1 2   41 15 o 38.49769 6.561548 82.06599       23.83980 0.000000       0.000000 82.06599       23.83980 ?        ?        38.49769 6.561548 ?              ?        
1 1 1 2   41 16 o 22.26683 6.886146 27.81684       16.53021 0.000000       0.000000 27.81684       16.53021 ?        ?        22.26683 6.886146 ?              ?        
1 1 1 2   41 17 o 69.21514 3.462161 242.5180       23.38157 0.000000       0.000000 242.5180       23.38157 ?        ?        69.21514 3.462161 ?              ?        
1 1 1 2   41 18 o 20.05403 8.616717 9.852527       30.44242 0.000000       0.000000 9.852527       30.44242 ?        ?        20.05403 8.616717 ?              ?        
1 1 1 2   41 19 o 31.52695 11.69619 68.29000       48.01937 0.000000       0.000000 68.29000       48.01937 ?        ?        31.52695 11.69619 ?              ?        
1 1 1 2   41 20 o 31.79436 9.722572 64.49246       33.06652 0.000000       0.000000 64.49246       33.06652 ?        ?        31.79436 9.722572 ?              ?        
1 1 1 2   41 21 o 26.31012 9.530890 41.74543       31.58946 0.000000       0.000000 41.74543       31.58946 ?        ?        26.31012 9.530890 ?              ?        
1 1 1 2   41 22 o 21.80698 8.984120 19.92161       30.95706 0.000000       0.000000 19.92161       30.95706 ?        ?        21.80698 8.984120 ?              ?        
1 1 1 2   41 23 o 20.80564 8.794908 14.56079       30.81537 0.000000       0.000000 14.56079       30.81537 ?        ?        20.80564 8.794908 ?              ?        
1 1 1 2   41 24 o 34.37289 9.480618 75.01417       32.93043 0.000000       0.000000 75.01417       32.93043 ?        ?        34.37289 9.480618 ?              ?        
1 1 1 2   41 25 o 26.67139 9.530559 43.64947       31.46247 0.000000       0.000000 43.64947       31.46247 ?        ?        26.67139 9.530559 ?              ?        
1 1 1 2   41 26 o 56.57963 6.701355 177.9966       36.39354 0.000000       0.000000 177.9966       36.39354 ?        ?        56.57963 6.701355 ?              ?        
1 1 1 2   41 27 o 22.40141 9.121807 23.65233       31.44793 0.000000       0.000000 23.65233       31.44793 ?        ?        22.40141 9.121807 ?              ?        
1 1 1 2   41 28 o 52.82052 9.900198 177.5000       49.30600 0.000000       0.000000 177.5000       49.30600 ?        ?        52.82052 9.900198 ?              ?        
1 1 1 2   41 29 o 28.84378 9.575594 53.45977       31.55499 0.000000       0.000000 53.45977       31.55499 ?        ?        28.84378 9.575594 ?              ?        
1 1 1 2   41 30 o 58.12349 10.68427 224.5000       58.54657 0.000000       0.000000 224.5000       58.54657 ?        ?        58.12349 10.68427 ?              ?        
1 1 1 2   41 31 o 22.21243 8.971741 24.81470       30.13836 0.000000       0.000000 24.81470       30.13836 ?        ?        22.21243 8.971741 ?              ?        
1 1 1 2   41 32 o 17.53124 7.891731 -1.093441      28.44998 0.000000       0.000000 -1.093441      28.44998 ?        ?        17.53124 7.891731 ?              ?        
1 1 1 2   41 33 o 30.57951 9.303808 62.13684       30.33002 0.000000       0.000000 62.13684       30.33002 ?        ?        30.57951 9.303808 ?              ?        
1 1 1 2   41 34 o 26.62615 11.13071 48.51000       48.50278 0.000000       0.000000 48.51000       48.50278 ?        ?        26.62615 11.13071 ?              ?        
1 1 1 2   42 0  o 16.65171 6.907142 7.450853       18.46850 0.000000       0.000000 7.450853       18.46850 ?        ?        16.65171 6.907142 ?              ?        
1 1 1 2   42 1  o 36.03500 6.818875 72.57451       23.17094 0.000000       0.000000 72.57451       23.17094 ?        ?        36.03500 6.818875 ?              ?        
1 1 1 2   42 2  o 41.72321 7.604076 99.42086       29.91108 0.000000       0.000000 99.42086       29.91108 ?        ?        41.72321 7.604076 ?              ?        
1 1 1 2   42 3  o 51.68906 5.128472 140.5491       25.60554 0.000000       0.000000 140.5491       25.60554 ?        ?        51.68906 5.128472 ?              ?        
1 1 1 2   42 4  o 41.39994 5.287205 90.97308       20.93726 0.000000       0.000000 90.97308       20.93726 ?        ?        41.39994 5.287205 ?              ?        
1 1 1 2   42 5  o 24.29275 8.146450 33.86375       22.82891 0.000000       0.000000 33.86375       22.82891 ?        ?        24.29275 8.146450 ?              ?        
1 1 1 2   42 6  o 43.49888 5.084342 99.86954       21.24019 0.000000       0.000000 99.86954       21.24019 ?        ?        43.49888 5.084342 ?              ?        
1 1 1 2   42 7  o 28.94835 8.099466 49.76658       23.84732 0.000000       0.000000 49.76658       23.84732 ?        ?        28.94835 8.099466 ?              ?        
1 1 1 2   42 8  o 25.24402 7.314930 36.69740       19.11642 0.000000       0.000000 36.69740       19.11642 ?        ?        25.24402 7.314930 ?              ?        
1 1 1 2   42 9  o 50.18611 5.175439 133.0127       25.05941 0.000000       0.000000 133.0127       25.05941 ?        ?        50.18611 5.175439 ?              ?        
1 1 1 2   42 10 o 18.89897 7.153476 16.80535       18.15171 0.000000       0.000000 16.80535       18.15171 ?        ?        18.89897 7.153476 ?              ?        
1 1 1 2   42 11 o 14.34082 6.278746 -0.2939980     16.79687 0.000000       0.000000 -0.2939980     16.79687 ?        ?        14.34082 6.278746 ?              ?        
1 1 1 2   42 12 o 33.95398 5.573699 62.34387       17.88205 0.000000       0.000000 62.34387       17.88205 ?        ?        33.95398 5.573699 ?              ?        
1 1 1 2   42 13 o 26.45920 6.604604 39.64635       17.05069 0.000000       0.000000 39.64635       17.05069 ?        ?        26.45920 6.604604 ?              ?        
1 1 1 2   42 14 o 25.91393 6.634224 38.06865       16.89799 0.000000       0.000000 38.06865       16.89799 ?        ?        25.91393 6.634224 ?              ?        
1 1 1 2   42 15 o 42.34070 7.247176 101.7633       28.95610 0.000000       0.000000 101.7633       28.95610 ?        ?        42.34070 7.247176 ?              ?        
1 1 1 2   42 16 o 27.57839 6.502871 42.88281       17.26658 0.000000       0.000000 42.88281       17.26658 ?        ?        27.57839 6.502871 ?              ?        
1 1 1 2   42 17 o 15.66769 6.003026 10.35440       12.88092 0.000000       0.000000 10.35440       12.88092 ?        ?        15.66769 6.003026 ?              ?        
1 1 1 2   42 18 o 34.27744 11.81705 84.85000       48.07724 0.000000       0.000000 84.85000       48.07724 ?        ?        34.27744 11.81705 ?              ?        
1 1 1 2   42 19 o 20.03967 8.646992 9.870838       30.90635 0.000000       0.000000 9.870838       30.90635 ?        ?        20.03967 8.646992 ?              ?        
1 1 1 2   42 20 o 27.34311 9.560469 46.69090       31.52172 0.000000       0.000000 46.69090       31.52172 ?        ?        27.34311 9.560469 ?              ?        
1 1 1 2   42 21 o 23.65849 9.279515 29.88565       31.33073 0.000000       0.000000 29.88565       31.33073 ?        ?        23.65849 9.279515 ?              ?        
1 1 1 2   42 22 f 31.60510 9.529337 64.08553       31.91857 0.000000       0.000000 64.08553       31.91857 ?        ?        31.60510 9.529337 ?              ?        
1 1 1 2   42 23 o 21.99016 8.967607 21.99135       30.44781 0.000000       0.000000 21.99135       30.44781 ?        ?        21.99016 8.967607 ?              ?        
1 1 1 2   42 24 f 17.13492 7.847761 -8.076270      29.67026 0.000000       0.000000 -8.076270      29.67026 ?        ?        17.13492 7.847761 ?              ?        
1 1 1 2   42 25 f 22.62879 9.130138 25.40561       31.17502 0.000000       0.000000 25.40561       31.17502 ?        ?        22.62879 9.130138 ?              ?        
1 1 1 2   42 26 o 30.09588 11.04172 62.72000       42.59267 0.000000       0.000000 62.72000       42.59267 ?        ?        30.09588 11.04172 ?              ?        
1 1 1 2   42 27 o 22.89057 9.173838 27.21545       31.24854 0.000000       0.000000 27.21545       31.24854 ?        ?        22.89057 9.173838 ?              ?        
1 1 1 2   42 28 o 28.80841 11.46735 58.36000       48.49367 0.000000       0.000000 58.36000       48.49367 ?        ?        28.80841 11.46735 ?              ?        
1 1 1 2   42 29 o 23.70255 9.240302 32.43289       30.91068 0.000000       0.000000 32.43289       30.91068 ?        ?        23.70255 9.240302 ?              ?        
1 1 1 2   42 30 o 39.95226 8.598593 99.71165       32.62906 0.000000       0.000000 99.71165       32.62906 ?        ?        39.95226 8.598593 ?              ?        
1 1 1 2   42 31 o 19.44254 8.385284 11.64281       29.03650 0.000000       0.000000 11.64281       29.03650 ?        ?        19.44254 8.385284 ?              ?        
1 1 1 2   43 0  o 61.29062 4.007763 192.7200       23.91186 0.000000       0.000000 192.7200       23.91186 ?        ?        61.29062 4.007763 ?              ?        
1 1 1 2   43 1  o 22.30742 7.916914 27.54037       21.67521 0.000000       0.000000 27.54037       21.67521 ?        ?        22.30742 7.916914 ?              ?        
1 1 1 2   43 2  o 22.69065 7.993161 28.82719       22.06137 0.000000       0.000000 28.82719       22.06137 ?        ?        22.69065 7.993161 ?              ?        
1 1 1 2   43 3  o 38.46942 5.865283 80.57883       21.38812 0.000000       0.000000 80.57883       21.38812 ?        ?        38.46942 5.865283 ?              ?        
1 1 1 2   43 4  o 15.00823 7.029415 -17.16978      25.88976 0.000000       0.000000 -17.16978      25.88976 ?        ?        15.00823 7.029415 ?              ?        
1 1 1 2   43 5  o 25.60279 7.420525 38.17686       19.67033 0.000000       0.000000 38.17686       19.67033 ?        ?        25.60279 7.420525 ?              ?        
1 1 1 2   43 6  o 18.96378 7.296167 16.58461       19.08243 0.000000       0.000000 16.58461       19.08243 ?        ?        18.96378 7.296167 ?              ?        
1 1 1 2   43 7  o 27.04605 7.295592 42.50293       19.75474 0.000000       0.000000 42.50293       19.75474 ?        ?        27.04605 7.295592 ?              ?        
1 1 1 2   43 8  o 53.48906 5.250344 151.7101       27.13520 0.000000       0.000000 151.7101       27.13520 ?        ?        53.48906 5.250344 ?              ?        
1 1 1 2   43 9  o 24.99315 7.890851 36.60207       21.58873 0.000000       0.000000 36.60207       21.58873 ?        ?        24.99315 7.890851 ?              ?        
1 1 1 2   43 10 o 31.91698 7.112534 58.43596       21.65198 0.000000       0.000000 58.43596       21.65198 ?        ?        31.91698 7.112534 ?              ?        
1 1 1 2   43 11 o 22.29108 7.103437 28.13300       17.46004 0.000000       0.000000 28.13300       17.46004 ?        ?        22.29108 7.103437 ?              ?        
1 1 1 2   43 12 o 22.94902 7.036452 30.09760       17.30470 0.000000       0.000000 30.09760       17.30470 ?        ?        22.94902 7.036452 ?              ?        
1 1 1 2   43 13 f 22.34810 6.923371 28.36057       16.70098 0.000000       0.000000 28.36057       16.70098 ?        ?        22.34810 6.923371 ?              ?        
1 1 1 2   43 14 o 38.76723 5.317613 80.54053       19.64728 0.000000       0.000000 80.54053       19.64728 ?        ?        38.76723 5.317613 ?              ?        
1 1 1 2   43 15 o 22.97210 8.140017 29.93279       22.90625 0.000000       0.000000 29.93279       22.90625 ?        ?        22.97210 8.140017 ?              ?        
1 1 1 2   43 16 o 13.50074 6.065273 -4.196172      16.71105 0.000000       0.000000 -4.196172      16.71105 ?        ?        13.50074 6.065273 ?              ?        
1 1 1 2   43 17 o 23.58706 7.773206 32.30980       20.80542 0.000000       0.000000 32.30980       20.80542 ?        ?        23.58706 7.773206 ?              ?        
1 1 1 2   43 18 o 23.48080 9.249836 29.39834       31.24792 0.000000       0.000000 29.39834       31.24792 ?        ?        23.48080 9.249836 ?              ?        
1 1 1 2   43 19 f 20.76552 8.779094 15.07471       30.71124 0.000000       0.000000 15.07471       30.71124 ?        ?        20.76552 8.779094 ?              ?        
1 1 1 2   43 20 o 24.89716 9.353907 36.45698       30.90642 0.000000       0.000000 36.45698       30.90642 ?        ?        24.89716 9.353907 ?              ?        
1 1 1 2   43 21 o 21.75872 8.973356 21.06519       30.92461 0.000000       0.000000 21.06519       30.92461 ?        ?        21.75872 8.973356 ?              ?        
1 1 1 2   43 22 o 28.15122 9.494950 50.95431       31.01000 0.000000       0.000000 50.95431       31.01000 ?        ?        28.15122 9.494950 ?              ?        
1 1 1 2   43 23 o 23.94198 9.236272 32.53628       30.63846 0.000000       0.000000 32.53628       30.63846 ?        ?        23.94198 9.236272 ?              ?        
1 1 1 2   43 24 o 19.30714 8.438958 7.469472       30.23149 0.000000       0.000000 7.469472       30.23149 ?        ?        19.30714 8.438958 ?              ?        
1 1 1 2   43 25 o 16.79865 8.060180 -32.06000      38.27214 0.000000       0.000000 -32.06000      38.27214 ?        ?        16.79865 8.060180 ?              ?        
1 1 1 2   43 26 o 25.34578 9.346152 40.25512       30.57934 0.000000       0.000000 40.25512       30.57934 ?        ?        25.34578 9.346152 ?              ?        
1 1 1 2   43 27 o 19.30234 9.123994 -17.59000      45.42788 0.000000       0.000000 -17.59000      45.42788 ?        ?        19.30234 9.123994 ?              ?        
1 1 1 2   43 28 o 21.87890 8.952998 24.58441       30.47724 0.000000       0.000000 24.58441       30.47724 ?        ?        21.87890 8.952998 ?              ?        
1 1 1 2   43 29 o 19.51673 8.449557 11.60950       29.70747 0.000000       0.000000 11.60950       29.70747 ?        ?        19.51673 8.449557 ?              ?        
1 1 1 2   44 0  o 27.57776 8.829955 47.02757       26.95413 0.000000       0.000000 47.02757       26.95413 ?        ?        27.57776 8.829955 ?              ?        
1 1 1 2   44 1  o 38.97177 5.495657 81.96030       20.38277 0.000000       0.000000 81.96030       20.38277 ?        ?        38.97177 5.495657 ?              ?        
1 1 1 2   44 2  o 28.07657 7.164336 45.84838       19.75123 0.000000       0.000000 45.84838       19.75123 ?        ?        28.07657 7.164336 ?              ?        
1 1 1 2   44 3  o 22.38417 8.057998 27.93785       22.53660 0.000000       0.000000 27.93785       22.53660 ?        ?        22.38417 8.057998 ?              ?        
1 1 1 2   44 4  o 26.25828 7.229410 40.23903       19.16775 0.000000       0.000000 40.23903       19.16775 ?        ?        26.25828 7.229410 ?              ?        
1 1 1 2   44 5  o 27.47064 7.126067 43.86204       19.32244 0.000000       0.000000 43.86204       19.32244 ?        ?        27.47064 7.126067 ?              ?        
1 1 1 2   44 6  o 19.58996 7.269192 19.43137       18.54990 0.000000       0.000000 19.43137       18.54990 ?        ?        19.58996 7.269192 ?              ?        
1 1 1 2   44 7  o 55.36247 5.686337 165.2612       30.37688 0.000000       0.000000 165.2612       30.37688 ?        ?        55.36247 5.686337 ?              ?        
1 1 1 2   44 8  f 14.56009 6.692922 -9.631508      21.85043 0.000000       0.000000 -9.631508      21.85043 ?        ?        14.56009 6.692922 ?              ?        
1 1 1 2   44 9  o 31.66795 6.430326 56.42575       19.25105 0.000000       0.000000 56.42575       19.25105 ?        ?        31.66795 6.430326 ?              ?        
1 1 1 2   44 10 o 21.45186 7.664135 25.29655       20.34527 0.000000       0.000000 25.29655       20.34527 ?        ?        21.45186 7.664135 ?              ?        
1 1 1 2   44 11 o 10.80797 5.212414 -21.90839      16.48915 0.000000       0.000000 -21.90839      16.48915 ?        ?        10.80797 5.212414 ?              ?        
1 1 1 2   44 12 o 12.66111 5.886828 -11.54282      17.62728 0.000000       0.000000 -11.54282      17.62728 ?        ?        12.66111 5.886828 ?              ?        
1 1 1 2   44 13 o 18.77165 7.054735 17.22866       17.58315 0.000000       0.000000 17.22866       17.58315 ?        ?        18.77165 7.054735 ?              ?        
1 1 1 2   44 14 o 27.79672 6.408960 43.77399       17.08094 0.000000       0.000000 43.77399       17.08094 ?        ?        27.79672 6.408960 ?              ?        
1 1 1 2   44 15 o 14.93804 7.052175 -20.18013      26.98171 0.000000       0.000000 -20.18013      26.98171 ?        ?        14.93804 7.052175 ?              ?        
1 1 1 2   44 16 o 19.14363 6.993168 18.82730       17.05649 0.000000       0.000000 18.82730       17.05649 ?        ?        19.14363 6.993168 ?              ?        
1 1 1 2   44 17 f 22.61006 9.019930 26.39171       30.06827 0.000000       0.000000 26.39171       30.06827 ?        ?        22.61006 9.019930 ?              ?        
1 1 1 2   44 18 o 20.08413 8.533833 13.42616       29.26556 0.000000       0.000000 13.42616       29.26556 ?        ?        20.08413 8.533833 ?              ?        
1 1 1 2   44 19 o 29.17341 9.542519 55.53913       31.37856 0.000000       0.000000 55.53913       31.37856 ?        ?        29.17341 9.542519 ?              ?        
1 1 1 2   44 20 o 17.97695 8.063312 -0.4154362     29.40415 0.000000       0.000000 -0.4154362     29.40415 ?        ?        17.97695 8.063312 ?              ?        
1 1 1 2   44 21 o 17.65573 7.984819 -2.568460      29.52009 0.000000       0.000000 -2.568460      29.52009 ?        ?        17.65573 7.984819 ?              ?        
1 1 1 2   44 22 o 20.09533 8.603812 13.36088       30.15145 0.000000       0.000000 13.36088       30.15145 ?        ?        20.09533 8.603812 ?              ?        
1 1 1 2   44 23 o 19.37636 8.841910 -1.289000      37.21406 0.000000       0.000000 -1.289000      37.21406 ?        ?        19.37636 8.841910 ?              ?        
1 1 1 2   44 24 o 27.52882 9.481966 50.49326       30.95171 0.000000       0.000000 50.49326       30.95171 ?        ?        27.52882 9.481966 ?              ?        
1 1 1 2   44 25 o 23.65208 10.44608 25.70000       47.43486 0.000000       0.000000 25.70000       47.43486 ?        ?        23.65208 10.44608 ?              ?        
1 1 1 2   44 26 o 26.59888 9.424294 47.38356       30.70385 0.000000       0.000000 47.38356       30.70385 ?        ?        26.59888 9.424294 ?              ?        
1 1 1 2   45 0  o 20.67744 7.849370 21.95280       21.89295 0.000000       0.000000 21.95280       21.89295 ?        ?        20.67744 7.849370 ?              ?        
1 1 1 2   45 1  o 22.06869 7.999823 27.11501       22.26035 0.000000       0.000000 27.11501       22.26035 ?        ?        22.06869 7.999823 ?              ?        
1 1 1 2   45 2  o 20.12793 7.915191 19.12374       22.84595 0.000000       0.000000 19.12374       22.84595 ?        ?        20.12793 7.915191 ?              ?        
1 1 1 2   45 3  o 18.74796 7.264464 16.28021       19.01476 0.000000       0.000000 16.28021       19.01476 ?        ?        18.74796 7.264464 ?              ?        
1 1 1 2   45 4  o 37.83480 5.592186 77.80190       20.08678 0.000000       0.000000 77.80190       20.08678 ?        ?        37.83480 5.592186 ?              ?        
1 1 1 2   45 5  o 48.31987 4.674713 122.7140       21.83409 0.000000       0.000000 122.7140       21.83409 ?        ?        48.31987 4.674713 ?              ?        
1 1 1 2   45 6  o 30.67925 6.740664 53.88229       19.68800 0.000000       0.000000 53.88229       19.68800 ?        ?        30.67925 6.740664 ?              ?        
1 1 1 2   45 7  f 25.82471 7.252558 39.16719       19.08319 0.000000       0.000000 39.16719       19.08319 ?        ?        25.82471 7.252558 ?              ?        
1 1 1 2   45 8  o 18.24591 7.110992 14.95545       18.30187 0.000000       0.000000 14.95545       18.30187 ?        ?        18.24591 7.110992 ?              ?        
1 1 1 2   45 9  o 39.61715 6.729964 88.80519       25.16501 0.000000       0.000000 88.80519       25.16501 ?        ?        39.61715 6.729964 ?              ?        
1 1 1 2   45 10 o 23.91499 8.319914 33.78797       23.85533 0.000000       0.000000 33.78797       23.85533 ?        ?        23.91499 8.319914 ?              ?        
1 1 1 2   45 11 o 23.68007 8.289886 33.05833       23.70449 0.000000       0.000000 33.05833       23.70449 ?        ?        23.68007 8.289886 ?              ?        
1 1 1 2   45 12 o 13.45551 6.027930 -3.368495      16.37851 0.000000       0.000000 -3.368495      16.37851 ?        ?        13.45551 6.027930 ?              ?        
1 1 1 2   45 13 o 20.27571 7.417835 21.99338       19.20173 0.000000       0.000000 21.99338       19.20173 ?        ?        20.27571 7.417835 ?              ?        
1 1 1 2   45 14 o 22.63559 6.940094 29.63972       16.83420 0.000000       0.000000 29.63972       16.83420 ?        ?        22.63559 6.940094 ?              ?        
1 1 1 2   45 15 o 16.96123 6.663963 12.16463       16.18140 0.000000       0.000000 12.16463       16.18140 ?        ?        16.96123 6.663963 ?              ?        
1 1 1 2   45 16 o 17.95998 6.691683 15.90199       15.75005 0.000000       0.000000 15.90199       15.75005 ?        ?        17.95998 6.691683 ?              ?        
1 1 1 2   45 17 o 21.27689 8.670935 21.45174       28.44359 0.000000       0.000000 21.45174       28.44359 ?        ?        21.27689 8.670935 ?              ?        
1 1 1 2   45 18 o 18.18227 8.099736 2.473999       29.13481 0.000000       0.000000 2.473999       29.13481 ?        ?        18.18227 8.099736 ?              ?        
1 1 1 2   45 19 o 36.63503 9.030021 86.23820       32.17076 0.000000       0.000000 86.23820       32.17076 ?        ?        36.63503 9.030021 ?              ?        
1 1 1 2   45 20 o 18.25313 8.122450 3.456613       29.21669 0.000000       0.000000 3.456613       29.21669 ?        ?        18.25313 8.122450 ?              ?        
1 1 1 2   45 21 o 24.35756 9.288402 37.04308       30.74268 0.000000       0.000000 37.04308       30.74268 ?        ?        24.35756 9.288402 ?              ?        
1 1 1 2   45 22 o 20.52668 9.160938 10.32000       37.44783 0.000000       0.000000 10.32000       37.44783 ?        ?        20.52668 9.160938 ?              ?        
1 1 1 2   45 23 o 35.41877 9.153982 83.13066       31.96403 0.000000       0.000000 83.13066       31.96403 ?        ?        35.41877 9.153982 ?              ?        
1 1 1 2   45 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   46 0  o 39.71960 6.811485 90.10480       25.52930 0.000000       0.000000 90.10480       25.52930 ?        ?        39.71960 6.811485 ?              ?        
1 1 1 2   46 1  o 25.04484 9.159792 38.57924       29.27564 0.000000       0.000000 38.57924       29.27564 ?        ?        25.04484 9.159792 ?              ?        
1 1 1 2   46 2  o 19.04143 7.648139 15.76637       21.76943 0.000000       0.000000 15.76637       21.76943 ?        ?        19.04143 7.648139 ?              ?        
1 1 1 2   46 3  o 33.62354 6.437599 64.05335       20.41585 0.000000       0.000000 64.05335       20.41585 ?        ?        33.62354 6.437599 ?              ?        
1 1 1 2   46 4  o 20.36065 7.402480 22.45635       19.07908 0.000000       0.000000 22.45635       19.07908 ?        ?        20.36065 7.402480 ?              ?        
1 1 1 2   46 5  o 19.03031 7.265026 17.85133       18.82109 0.000000       0.000000 17.85133       18.82109 ?        ?        19.03031 7.265026 ?              ?        
1 1 1 2   46 6  o 28.85346 6.938600 48.57394       19.35503 0.000000       0.000000 48.57394       19.35503 ?        ?        28.85346 6.938600 ?              ?        
1 1 1 2   46 7  o 19.87226 7.300401 20.97023       18.62870 0.000000       0.000000 20.97023       18.62870 ?        ?        19.87226 7.300401 ?              ?        
1 1 1 2   46 8  o 30.43222 6.647680 53.22078       19.24662 0.000000       0.000000 53.22078       19.24662 ?        ?        30.43222 6.647680 ?              ?        
1 1 1 2   46 9  o 25.48814 8.869958 40.40046       27.11492 0.000000       0.000000 40.40046       27.11492 ?        ?        25.48814 8.869958 ?              ?        
1 1 1 2   46 10 o 14.06245 6.364300 -5.021908      18.79361 0.000000       0.000000 -5.021908      18.79361 ?        ?        14.06245 6.364300 ?              ?        
1 1 1 2   46 11 o 23.79371 7.678275 33.79787       20.35378 0.000000       0.000000 33.79787       20.35378 ?        ?        23.79371 7.678275 ?              ?        
1 1 1 2   46 12 o 15.01535 6.647844 -0.3785710     19.32479 0.000000       0.000000 -0.3785710     19.32479 ?        ?        15.01535 6.647844 ?              ?        
1 1 1 2   46 13 o 25.58636 7.295094 39.17618       19.15965 0.000000       0.000000 39.17618       19.15965 ?        ?        25.58636 7.295094 ?              ?        
1 1 1 2   46 14 o 19.06192 7.428480 17.66865       19.97147 0.000000       0.000000 17.66865       19.97147 ?        ?        19.06192 7.428480 ?              ?        
1 1 1 2   46 15 o 23.73265 9.028687 34.06997       29.00423 0.000000       0.000000 34.06997       29.00423 ?        ?        23.73265 9.028687 ?              ?        
1 1 1 2   46 16 o 24.84090 9.169311 39.26617       29.44588 0.000000       0.000000 39.26617       29.44588 ?        ?        24.84090 9.169311 ?              ?        
1 1 1 2   46 17 o 27.47598 9.225378 50.47145       29.27555 0.000000       0.000000 50.47145       29.27555 ?        ?        27.47598 9.225378 ?              ?        
1 1 1 2   46 18 o 26.33914 9.128327 46.14816       28.70331 0.000000       0.000000 46.14816       28.70331 ?        ?        26.33914 9.128327 ?              ?        
1 1 1 2   46 19 o 30.68431 9.117974 63.42352       29.38396 0.000000       0.000000 63.42352       29.38396 ?        ?        30.68431 9.117974 ?              ?        
1 1 1 2   46 20 o 25.29076 10.01731 43.15000       36.83038 0.000000       0.000000 43.15000       36.83038 ?        ?        25.29076 10.01731 ?              ?        
1 1 1 2   47 0  o 33.46940 9.428756 74.56239       32.20126 0.000000       0.000000 74.56239       32.20126 ?        ?        33.46940 9.428756 ?              ?        
1 1 1 2   47 1  o 15.09348 6.574672 2.147398       18.21518 0.000000       0.000000 2.147398       18.21518 ?        ?        15.09348 6.574672 ?              ?        
1 1 1 2   47 2  o 17.11728 7.228288 8.494091       20.77975 0.000000       0.000000 8.494091       20.77975 ?        ?        17.11728 7.228288 ?              ?        
1 1 1 2   47 3  o 28.21837 7.635284 48.52101       21.59726 0.000000       0.000000 48.52101       21.59726 ?        ?        28.21837 7.635284 ?              ?        
1 1 1 2   47 4  o 30.44839 6.745696 53.97685       19.57504 0.000000       0.000000 53.97685       19.57504 ?        ?        30.44839 6.745696 ?              ?        
1 1 1 2   47 5  o 18.71013 7.174462 17.39027       18.40852 0.000000       0.000000 17.39027       18.40852 ?        ?        18.71013 7.174462 ?              ?        
1 1 1 2   47 6  o 16.97925 6.923529 10.90706       18.14724 0.000000       0.000000 10.90706       18.14724 ?        ?        16.97925 6.923529 ?              ?        
1 1 1 2   47 7  o 30.89540 6.558092 55.16492       19.21840 0.000000       0.000000 55.16492       19.21840 ?        ?        30.89540 6.558092 ?              ?        
1 1 1 2   47 8  o 19.77719 7.466277 20.77380       19.74387 0.000000       0.000000 20.77380       19.74387 ?        ?        19.77719 7.466277 ?              ?        
1 1 1 2   47 9  o 16.06523 6.689602 8.026683       17.41880 0.000000       0.000000 8.026683       17.41880 ?        ?        16.06523 6.689602 ?              ?        
1 1 1 2   47 10 o 22.77931 7.765912 31.29438       20.74881 0.000000       0.000000 31.29438       20.74881 ?        ?        22.77931 7.765912 ?              ?        
1 1 1 2   47 11 o 17.73152 7.171112 13.32062       19.28260 0.000000       0.000000 13.32062       19.28260 ?        ?        17.73152 7.171112 ?              ?        
1 1 1 2   47 12 f 16.26382 6.703250 9.297933       17.24335 0.000000       0.000000 9.297933       17.24335 ?        ?        16.26382 6.703250 ?              ?        
1 1 1 2   47 13 o 25.36662 6.879623 38.52155       17.50964 0.000000       0.000000 38.52155       17.50964 ?        ?        25.36662 6.879623 ?              ?        
1 1 1 2   47 14 o 16.02199 7.415793 -8.517392      27.49530 0.000000       0.000000 -8.517392      27.49530 ?        ?        16.02199 7.415793 ?              ?        
1 1 1 2   47 15 o 15.02729 7.076744 -15.72682      26.86629 0.000000       0.000000 -15.72682      26.86629 ?        ?        15.02729 7.076744 ?              ?        
1 1 1 2   47 16 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 2   48 0  o 20.90996 7.296456 25.62556       18.35474 0.000000       0.000000 25.62556       18.35474 ?        ?        20.90996 7.296456 ?              ?        
1 1 1 2   48 1  o 21.61851 7.942485 27.67460       22.05030 0.000000       0.000000 27.67460       22.05030 ?        ?        21.61851 7.942485 ?              ?        
1 1 1 2   48 2  o 24.47324 7.259130 36.59095       18.63794 0.000000       0.000000 36.59095       18.63794 ?        ?        24.47324 7.259130 ?              ?        
1 1 1 2   48 3  o 33.94699 6.785331 67.87521       21.75762 0.000000       0.000000 67.87521       21.75762 ?        ?        33.94699 6.785331 ?              ?        
1 1 1 2   48 4  o 24.58728 7.723085 37.79660       20.70571 0.000000       0.000000 37.79660       20.70571 ?        ?        24.58728 7.723085 ?              ?        
1 1 1 2   48 5  o 21.33662 7.292107 27.12185       18.29635 0.000000       0.000000 27.12185       18.29635 ?        ?        21.33662 7.292107 ?              ?        
1 1 1 2   48 6  o 14.15617 6.396599 -3.337426      18.89633 0.000000       0.000000 -3.337426      18.89633 ?        ?        14.15617 6.396599 ?              ?        
1 1 1 2   48 7  o 17.46777 7.127629 12.74206       19.24898 0.000000       0.000000 12.74206       19.24898 ?        ?        17.46777 7.127629 ?              ?        
1 1 1 2   48 8  o 21.15800 7.283949 26.55160       18.26433 0.000000       0.000000 26.55160       18.26433 ?        ?        21.15800 7.283949 ?              ?        
1 1 1 2   48 9  o 21.57119 7.883829 27.84430       21.68180 0.000000       0.000000 27.84430       21.68180 ?        ?        21.57119 7.883829 ?              ?        
1 1 1 2   48 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  0  o 107.3169 3.725752 565.7952       39.02998 565.7952       39.02998 565.7952       39.02998 107.3169 3.725752 107.3169 3.725752 0.000000       0.000000 
1 1 1 3   0  1  o 324.3085 8.774122 5164.134       278.0667 5164.134       278.0667 5164.134       278.0667 324.3085 8.774122 324.3085 8.774122 0.000000       0.000000 
1 1 1 3   0  2  o 320.4657 8.680120 5042.389       271.8271 5042.389       271.8271 5042.389       271.8271 320.4657 8.680120 320.4657 8.680120 0.000000       0.000000 
1 1 1 3   0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  4  o 116.4558 3.937805 666.1535       44.77065 666.1535       44.77065 666.1535       44.77065 116.4558 3.937805 116.4558 3.937805 0.000000       0.000000 
1 1 1 3   0  5  o 95.50230 3.594533 448.3548       33.49358 448.3548       33.49358 448.3548       33.49358 95.50230 3.594533 95.50230 3.594533 0.000000       0.000000 
1 1 1 3   0  6  o 356.6996 9.611248 6249.483       335.0235 6249.483       335.0235 6249.483       335.0235 356.6996 9.611248 356.6996 9.611248 0.000000       0.000000 
1 1 1 3   0  7  o 614.0037 16.21410 18574.97       972.9375 18574.97       972.9375 18574.97       972.9375 614.0037 16.21410 614.0037 16.21410 0.000000       0.000000 
1 1 1 3   0  8  o 364.6227 9.822363 6534.068       349.9877 6534.068       349.9877 6534.068       349.9877 364.6227 9.822363 364.6227 9.822363 0.000000       0.000000 
1 1 1 3   0  9  o 464.8551 12.38613 10639.69       562.6807 10639.69       562.6807 10639.69       562.6807 464.8551 12.38613 464.8551 12.38613 0.000000       0.000000 
1 1 1 3   0  10 o 387.3166 10.40805 7379.448       393.9417 7379.448       393.9417 7379.448       393.9417 387.3166 10.40805 387.3166 10.40805 0.000000       0.000000 
1 1 1 3   0  11 o 208.3249 6.030966 2131.272       122.7466 2131.272       122.7466 2131.272       122.7466 208.3249 6.030966 208.3249 6.030966 0.000000       0.000000 
1 1 1 3   0  12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  13 o 71.24955 3.987728 250.8379       27.61013 250.8379       27.61013 250.8379       27.61013 71.24955 3.987728 71.24955 3.987728 0.000000       0.000000 
1 1 1 3   0  14 o 205.4738 6.021259 2072.522       120.8662 2072.522       120.8662 2072.522       120.8662 205.4738 6.021259 205.4738 6.021259 0.000000       0.000000 
1 1 1 3   0  15 o 725.3177 19.09383 25906.74       1353.465 25906.74       1353.465 25906.74       1353.465 725.3177 19.09383 725.3177 19.09383 0.000000       0.000000 
1 1 1 3   0  16 f 553.7366 14.66510 15074.83       793.6068 15074.83       793.6068 15074.83       793.6068 553.7366 14.66510 553.7366 14.66510 0.000000       0.000000 
1 1 1 3   0  17 o 766.2548 20.17745 28934.83       1511.001 28934.83       1511.001 28934.83       1511.001 766.2548 20.17745 766.2548 20.17745 0.000000       0.000000 
1 1 1 3   0  18 o 418.9947 15.98315 8657.000       653.3375 8657.000       653.3375 8657.000       653.3375 418.9947 15.98315 418.9947 15.98315 0.000000       0.000000 
1 1 1 3   0  19 o 158.8535 7.421755 1244.000       114.8252 1244.000       114.8252 1244.000       114.8252 158.8535 7.421755 158.8535 7.421755 0.000000       0.000000 
1 1 1 3   0  20 o 89.99475 4.761062 399.8337       41.67017 399.8337       41.67017 399.8337       41.67017 89.99475 4.761062 89.99475 4.761062 0.000000       0.000000 
1 1 1 3   0  21 o 267.3860 10.68406 3523.000       278.6122 3523.000       278.6122 3523.000       278.6122 267.3860 10.68406 267.3860 10.68406 0.000000       0.000000 
1 1 1 3   0  22 o 166.9937 7.622583 1375.000       124.0042 1375.000       124.0042 1375.000       124.0042 166.9937 7.622583 166.9937 7.622583 0.000000       0.000000 
1 1 1 3   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  24 o 325.1450 8.933168 5197.534       283.8226 5197.534       283.8226 5197.534       283.8226 325.1450 8.933168 325.1450 8.933168 0.000000       0.000000 
1 1 1 3   0  25 f 145.2331 5.035367 1036.871       71.38656 1036.871       71.38656 1036.871       71.38656 145.2331 5.035367 145.2331 5.035367 0.000000       0.000000 
1 1 1 3   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  27 o 341.8821 9.364276 5753.283       312.8380 5753.283       312.8380 5753.283       312.8380 341.8821 9.364276 341.8821 9.364276 0.000000       0.000000 
1 1 1 3   0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  29 o 295.7234 8.264152 4303.737       238.7935 4303.737       238.7935 4303.737       238.7935 295.7234 8.264152 295.7234 8.264152 0.000000       0.000000 
1 1 1 3   0  30 o 173.9388 5.596232 1487.619       95.05564 1487.619       95.05564 1487.619       95.05564 173.9388 5.596232 173.9388 5.596232 0.000000       0.000000 
1 1 1 3   0  31 o 180.5690 5.742059 1603.433       101.2559 1603.433       101.2559 1603.433       101.2559 180.5690 5.742059 180.5690 5.742059 0.000000       0.000000 
1 1 1 3   0  32 o 99.58235 4.951815 489.6436       47.99377 489.6436       47.99377 489.6436       47.99377 99.58235 4.951815 99.58235 4.951815 0.000000       0.000000 
1 1 1 3   0  33 f 374.4116 10.22660 6923.896       374.1570 6923.896       374.1570 6923.896       374.1570 374.4116 10.22660 374.4116 10.22660 0.000000       0.000000 
1 1 1 3   0  34 o 87.75400 5.135386 381.4988       43.76209 381.4988       43.76209 381.4988       43.76209 87.75400 5.135386 87.75400 5.135386 0.000000       0.000000 
1 1 1 3   0  35 o 149.7390 5.286326 1104.186       77.26170 1104.186       77.26170 1104.186       77.26170 149.7390 5.286326 149.7390 5.286326 0.000000       0.000000 
1 1 1 3   0  36 o 186.7300 5.908482 1717.994       107.7481 1717.994       107.7481 1717.994       107.7481 186.7300 5.908482 186.7300 5.908482 0.000000       0.000000 
1 1 1 3   0  37 o 315.0301 8.819137 4916.750       271.4651 4916.750       271.4651 4916.750       271.4651 315.0301 8.819137 315.0301 8.819137 0.000000       0.000000 
1 1 1 3   0  38 o 220.3472 9.457004 2422.000       203.1135 2422.000       203.1135 2422.000       203.1135 220.3472 9.457004 220.3472 9.457004 0.000000       0.000000 
1 1 1 3   0  39 o 19.90441 10.95809 27.66354       30.90116 27.66354       30.90116 27.66354       30.90116 19.90441 10.95809 19.90441 10.95809 0.000000       0.000000 
1 1 1 3   0  40 o 216.7111 9.401279 2354.000       198.5666 2354.000       198.5666 2354.000       198.5666 216.7111 9.401279 216.7111 9.401279 0.000000       0.000000 
1 1 1 3   0  41 o 77.32294 8.136595 306.8000       59.87398 306.8000       59.87398 306.8000       59.87398 77.32294 8.136595 77.32294 8.136595 0.000000       0.000000 
1 1 1 3   0  42 o 209.4221 6.461624 2177.436       132.1699 2177.436       132.1699 2177.436       132.1699 209.4221 6.461624 209.4221 6.461624 0.000000       0.000000 
1 1 1 3   0  43 o 108.0439 5.188032 579.9758       54.57719 579.9758       54.57719 579.9758       54.57719 108.0439 5.188032 108.0439 5.188032 0.000000       0.000000 
1 1 1 3   0  44 o 78.46317 5.434448 308.5558       41.26987 308.5558       41.26987 308.5558       41.26987 78.46317 5.434448 78.46317 5.434448 0.000000       0.000000 
1 1 1 3   0  45 f 80.09236 5.360931 321.4153       41.58915 321.4153       41.58915 321.4153       41.58915 80.09236 5.360931 80.09236 5.360931 0.000000       0.000000 
1 1 1 3   0  46 o 101.4745 5.086977 512.9465       50.23582 512.9465       50.23582 512.9465       50.23582 101.4745 5.086977 101.4745 5.086977 0.000000       0.000000 
1 1 1 3   0  47 o 29.13917 11.38171 59.24924       31.00078 59.24924       31.00078 59.24924       31.00078 29.13917 11.38171 29.13917 11.38171 0.000000       0.000000 
1 1 1 3   0  48 o 122.6219 5.132875 750.0619       61.36167 750.0619       61.36167 750.0619       61.36167 122.6219 5.132875 122.6219 5.132875 0.000000       0.000000 
1 1 1 3   0  49 o 51.44683 7.026577 140.0583       33.51616 140.0583       33.51616 140.0583       33.51616 51.44683 7.026577 51.44683 7.026577 0.000000       0.000000 
1 1 1 3   0  50 o 13.48928 8.741462 0.8937972      27.32722 0.8937972      27.32722 0.8937972      27.32722 13.48928 8.741462 13.48928 8.741462 0.000000       0.000000 
1 1 1 3   0  51 o 24.66352 10.78590 45.27062       27.10279 45.27062       27.10279 45.27062       27.10279 24.66352 10.78590 24.66352 10.78590 0.000000       0.000000 
1 1 1 3   0  52 o 41.87692 7.680841 96.96365       28.35768 96.96365       28.35768 96.96365       28.35768 41.87692 7.680841 41.87692 7.680841 0.000000       0.000000 
1 1 1 3   0  53 o 83.71936 6.659050 360.9000       53.75097 360.9000       53.75097 360.9000       53.75097 83.71936 6.659050 83.71936 6.659050 0.000000       0.000000 
1 1 1 3   0  54 o 13.90327 8.829903 5.589377       26.16632 5.589377       26.16632 5.589377       26.16632 13.90327 8.829903 13.90327 8.829903 0.000000       0.000000 
1 1 1 3   0  55 f 89.87498 7.456615 422.3000       64.52187 422.3000       64.52187 422.3000       64.52187 89.87498 7.456615 89.87498 7.456615 0.000000       0.000000 
1 1 1 3   0  56 o 12.01163 7.997480 -5.019069      25.35293 -5.019069      25.35293 -5.019069      25.35293 12.01163 7.997480 12.01163 7.997480 0.000000       0.000000 
1 1 1 3   0  57 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   0  58 o 62.51650 5.833559 202.2181       34.94221 202.2181       34.94221 202.2181       34.94221 62.51650 5.833559 62.51650 5.833559 0.000000       0.000000 
1 1 1 3   0  59 o 43.53395 7.735222 105.4941       29.86012 105.4941       29.86012 105.4941       29.86012 43.53395 7.735222 43.53395 7.735222 0.000000       0.000000 
1 1 1 3   0  60 o 13.22670 8.577861 1.902234       26.38266 1.902234       26.38266 1.902234       26.38266 13.22670 8.577861 13.22670 8.577861 0.000000       0.000000 
1 1 1 3   0  61 o 15.47552 9.445146 13.93084       27.05817 13.93084       27.05817 13.93084       27.05817 15.47552 9.445146 15.47552 9.445146 0.000000       0.000000 
1 1 1 3   0  62 o 22.44700 10.90024 40.83141       28.04793 40.83141       28.04793 40.83141       28.04793 22.44700 10.90024 22.44700 10.90024 0.000000       0.000000 
1 1 1 3   0  63 o 15.00196 9.369607 11.18226       28.13750 11.18226       28.13750 11.18226       28.13750 15.00196 9.369607 15.00196 9.369607 0.000000       0.000000 
1 1 1 3   1  0  o 477.4445 8.920047 11180.54       416.8658 11013.80       583.3936 11354.49       595.8790 473.1951 12.60672 480.4487 12.68191 -7.253540      17.88185 
1 1 1 3   1  1  o 167.1071 3.510163 1367.137       57.41542 1405.047       82.47067 1331.481       79.98186 169.3063 4.981875 164.8114 4.963560 4.494904       7.032496 
1 1 1 3   1  2  o 635.7525 11.80498 19856.23       734.6147 19779.88       1036.252 19933.38       1041.573 633.1060 16.73646 635.5529 16.75756 -2.446838      23.68386 
1 1 1 3   1  3  o 256.5358 5.005652 3223.056       125.6941 3339.451       181.8635 3116.608       173.9191 260.9388 7.127013 252.0809 7.055511 8.857819       10.02869 
1 1 1 3   1  4  o 428.5299 8.049714 9003.302       337.6508 9274.004       486.9944 8752.707       468.5596 434.3830 11.46370 422.0066 11.35361 12.37637       16.13446 
1 1 1 3   1  5  o 236.1363 4.666254 2730.695       107.8543 2793.473       154.7971 2671.467       150.3577 238.6673 6.632617 233.3963 6.588099 5.270981       9.348511 
1 1 1 3   1  6  o 278.9308 5.404371 3811.256       147.5529 3800.917       208.2938 3821.669       209.0509 278.3192 7.653136 279.0778 7.660046 -0.7586060     10.82806 
1 1 1 3   1  7  o 185.2905 3.842281 1681.177       69.68648 1659.640       97.77348 1703.414       99.34853 183.9709 5.435535 186.3823 5.451519 -2.411407      7.698318 
1 1 1 3   1  8  o 152.0440 3.344411 1131.940       49.77314 1120.036       70.03802 1144.087       70.74704 151.1317 4.740340 152.7474 4.737546 -1.615753      6.701878 
1 1 1 3   1  9  o 440.5892 8.293358 9534.172       357.6601 9380.000       705.7825 9587.444       414.8760 434.3937 16.62968 441.5533 9.599068 -7.159546      19.20126 
1 1 1 3   1  10 o 44.59702 2.911698 97.79849       12.64087 106.0000       23.40680 94.42159       15.01947 46.20594 5.269403 43.76638 3.536050 2.439564       6.345885 
1 1 1 3   1  11 o 232.7038 4.645700 2653.036       105.8183 2798.566       154.3963 2524.121       145.3156 238.7805 6.612263 226.7669 6.553637 12.01361       9.309789 
1 1 1 3   1  12 f 371.9088 7.058526 6782.653       256.9548 6881.921       366.8470 6687.042       360.0269 374.1156 10.02685 368.7843 9.982882 5.331360       14.14905 
1 1 1 3   1  13 o 273.6920 5.356949 3669.250       143.5112 3793.132       206.7173 3553.991       199.3919 278.0483 7.602529 269.1364 7.576370 8.911926       10.73312 
1 1 1 3   1  14 o 429.1391 8.083508 9027.521       339.5503 9151.254       484.6855 8908.268       475.8302 431.5670 11.48396 425.8032 11.42693 5.763824       16.20050 
1 1 1 3   1  15 o 312.8716 6.037589 4794.753       184.8996 4806.600       261.5650 4782.920       261.4099 313.0127 8.545117 312.2387 8.561290 0.7739563      12.09606 
1 1 1 3   1  16 o 314.4985 6.082113 4844.851       187.2317 4868.739       265.1059 4821.079       264.4664 315.0228 8.605543 313.4741 8.627317 1.548737       12.18548 
1 1 1 3   1  17 o 313.6164 7.016857 4819.319       215.4009 5163.603       275.8102 4281.000       344.8831 324.4072 8.693712 295.0107 11.96825 29.39658       14.79255 
1 1 1 3   1  18 o 237.6465 5.549601 2766.167       129.0920 2798.650       158.8539 2703.000       221.5195 238.8946 6.800288 234.5332 9.670163 4.361389       11.82184 
1 1 1 3   1  19 o 318.5744 7.122684 4973.978       222.1062 4859.991       267.9956 5224.000       396.9073 314.6747 8.709187 325.7790 12.46988 -11.10437      15.21012 
1 1 1 3   1  20 o 363.5166 9.851579 6491.433       350.2158 6664.000       504.5580 6331.000       486.4956 367.6202 14.04770 358.3330 13.89664 9.287231       19.75993 
1 1 1 3   1  21 o 346.0402 7.689679 5873.081       260.4600 5592.433       308.6045 6568.000       485.6116 337.3685 9.354292 364.8521 13.62163 -27.48361      16.52428 
1 1 1 3   1  22 o 206.0702 6.124477 2083.443       123.3980 2075.000       173.9318 2092.000       175.0963 205.3969 8.670756 206.2354 8.693264 -0.8385010     12.27823 
1 1 1 3   1  23 o 244.3931 6.966399 2932.555       166.4793 2983.000       237.7169 2884.000       233.2219 246.0907 9.888805 241.9694 9.867675 4.121353       13.96995 
1 1 1 3   1  24 o 300.8643 5.876167 4438.945       173.0498 4317.685       196.2383 4863.000       366.9744 296.6315 6.758655 313.7060 11.97305 -17.07452      13.74894 
1 1 1 3   1  25 o 158.7169 5.175800 1236.352       80.30191 1197.000       110.7346 1280.000       116.6220 155.9525 7.274166 161.2637 7.407974 -5.311203      10.38227 
1 1 1 3   1  26 o 320.4191 6.214989 5038.640       194.9239 4973.953       223.2667 5246.000       399.7422 318.2108 7.168082 325.3250 12.57695 -7.114288      14.47622 
1 1 1 3   1  27 o 237.2384 5.578094 2761.403       129.5320 2761.403       129.5320 0.000000       0.000000 237.2384 5.578094 ?        ?        ?              ?        
1 1 1 3   1  28 o 162.1623 3.734333 1288.566       59.27466 1274.296       68.13116 1333.000       120.2234 161.1708 4.322605 164.4637 7.487790 -3.292938      8.645919 
1 1 1 3   1  29 o 183.0722 4.663116 1644.707       83.49321 1705.131       104.4920 1538.000       138.8594 186.2796 5.737591 176.5532 8.056373 9.726440       9.890657 
1 1 1 3   1  30 o 171.3831 5.487001 1443.336       91.92828 1434.000       128.9010 1453.000       131.1403 170.4866 7.744541 171.5997 7.828144 -1.113159      11.01171 
1 1 1 3   1  31 o 178.9782 4.640220 1572.486       81.22289 1614.274       101.0022 1496.000       136.6469 181.2041 5.701608 174.0387 8.043103 7.165436       9.858998 
1 1 1 3   1  32 o 319.8554 6.245942 5031.008       195.5500 5026.947       276.2215 5035.089       276.8788 318.8405 8.859288 319.0936 8.873340 -0.2530823     12.53887 
1 1 1 3   1  33 o 157.5598 3.784092 1217.308       58.35973 1260.522       83.84708 1176.700       81.27905 160.0894 5.358358 154.6662 5.376976 5.423187       7.591039 
1 1 1 3   1  34 o 198.6201 4.309106 1936.286       83.77543 2004.116       120.7185 1873.270       116.3547 201.6838 6.122088 194.9866 6.103912 6.697189       8.645098 
1 1 1 3   1  35 f 251.8489 5.123731 3118.937       126.3085 3113.835       178.4486 3124.060       178.8062 250.9417 7.272647 251.3528 7.275282 -0.4111023     10.28694 
1 1 1 3   1  36 o 150.3908 4.311145 1112.273       63.39742 1178.766       79.74928 998.1000       104.5019 154.6413 5.276326 141.7401 7.559597 12.90117       9.218846 
1 1 1 3   1  37 o 276.5506 6.422997 3782.784       173.8676 3751.399       211.6088 3848.000       305.0319 274.5653 7.881912 275.6763 11.32833 -1.110962      13.80056 
1 1 1 3   1  38 o 143.5478 3.691296 1013.422       51.82283 1088.919       75.20952 945.1748       71.50763 148.4546 5.183700 138.2686 5.293287 10.18599       7.408753 
1 1 1 3   1  39 o 102.8182 4.975950 523.2744       49.92994 424.1000       65.56418 660.2000       77.03876 91.90630 7.349305 114.9562 6.877985 -23.04988      10.06573 
1 1 1 3   1  40 f 106.9713 5.005704 567.1745       52.26759 601.5000       73.67857 532.4000       74.15884 109.5545 6.905898 102.8584 7.415525 6.696068       10.13319 
1 1 1 3   1  41 o 84.00701 4.355178 349.5910       35.68966 391.0000       64.16398 331.0402       42.94622 87.84135 7.535260 81.47266 5.416012 6.368683       9.279727 
1 1 1 3   1  42 o 90.27542 4.336027 403.9408       38.20287 399.0000       67.41080 406.2784       46.36764 88.46307 7.867019 90.26720 5.270749 -1.804131      9.469466 
1 1 1 3   1  43 o 38.65636 6.289421 76.70126       22.98051 62.68481       31.11259 93.52856       34.08979 34.30176 9.112807 42.08248 8.567497 -7.780720      12.50781 
1 1 1 3   1  44 o 52.20948 4.881382 136.6700       24.65667 130.2060       33.35418 144.4588       36.61275 50.33724 6.955123 52.95982 7.253211 -2.622581      10.04902 
1 1 1 3   1  45 o 73.91550 3.925122 271.1771       28.29665 266.8292       39.10637 275.9552       40.99545 72.82269 5.527522 73.99951 5.703779 -1.176819      7.942707 
1 1 1 3   1  46 f 33.01332 7.161419 57.50639       22.47465 59.48630       31.55477 55.46790       32.01822 33.19342 9.327514 32.14192 9.509567 1.051498       13.32045 
1 1 1 3   1  47 o 77.91013 3.803213 301.7839       28.91589 299.1207       40.67876 304.5040       41.11115 76.94424 5.436134 77.63284 5.444654 -0.6886063     7.693881 
1 1 1 3   1  48 o 70.05151 3.966531 244.9668       27.08672 248.0863       38.32109 241.8522       38.29173 69.80107 5.657241 68.87829 5.731471 0.9227829      8.053206 
1 1 1 3   1  49 o 84.71197 3.634763 357.4273       30.06875 351.2243       42.57379 363.6013       42.47366 83.19006 5.255207 84.70939 5.146787 -1.519325      7.355720 
1 1 1 3   1  50 f 16.25515 6.937458 1.778663       19.49052 49.37779       27.70353 -44.87180      27.42607 29.89056 8.846208 13.37773 6.514775 16.51283       10.98625 
1 1 1 3   1  51 o 15.83024 6.760667 1.622603       18.53210 5.930012       25.45652 -3.234111      27.03100 19.00428 8.011479 17.93012 7.903672 1.074158       11.25397 
1 1 1 3   1  52 o 35.49964 6.377163 66.92958       21.34497 57.97454       27.29771 81.02000       34.24164 32.17878 8.529887 37.70971 9.328684 -5.530930      12.64054 
1 1 1 3   1  53 o 62.81321 3.782367 198.0362       23.14750 211.2364       32.63730 184.6760       32.83461 64.15981 5.242574 59.72319 5.685216 4.436626       7.733451 
1 1 1 3   1  54 o 26.98955 8.663222 40.32391       25.93400 12.76000       31.17210 102.3000       46.74204 21.53125 8.955969 40.81413 11.30980 -19.28288      14.42640 
1 1 1 3   1  55 o 29.35536 6.844722 47.25812       19.30385 35.34155       26.79018 60.12654       27.83957 25.56907 8.820915 32.37860 8.628521 -6.809536      12.33937 
1 1 1 3   1  56 o 37.50964 8.229927 79.66391       29.38455 0.000000       0.000000 79.66391       29.38455 ?        ?        37.50964 8.229927 ?              ?        
1 1 1 3   1  57 o 15.61788 6.687579 2.041484       18.22038 6.038586       26.31114 -1.641525      25.25623 18.95176 8.073510 17.33897 7.641577 1.612787       11.11644 
1 1 1 3   1  58 o 27.90598 8.201964 44.29889       23.88384 52.71096       27.66642 19.69000       47.32032 30.13788 8.819319 25.26109 10.79614 4.876791       13.94048 
1 1 1 3   1  59 o 26.38734 7.314533 38.86539       19.54746 50.50429       27.87377 27.60205       27.42037 29.49203 8.907908 23.57685 8.820407 5.915174       12.53596 
1 1 1 3   1  60 o 48.46896 4.734933 121.1525       22.17767 90.11646       30.66755 155.1770       32.11007 39.80645 8.145526 53.98879 6.187881 -14.18235      10.22934 
1 1 1 3   1  61 o 49.02609 4.802360 124.3640       22.75031 102.8231       31.76616 147.0472       32.59754 42.65366 7.899401 52.22181 6.518720 -9.568153      10.24179 
1 1 1 3   1  62 o 27.79265 7.349463 43.94229       20.29631 68.36911       29.46160 21.87784       28.00073 33.88264 8.804248 22.10899 8.741547 11.77365       12.40683 
1 1 1 3   1  63 o 21.96347 7.780508 25.79035       20.92639 5.993778       26.91130 56.07000       33.28244 18.75226 8.079965 30.02985 9.828059 -11.27759      12.72307 
1 1 1 3   2  0  o 1343.247 25.06884 89817.47       3296.070 90977.54       4707.863 88702.15       4616.184 1339.625 35.93575 1323.084 35.67680 16.54065       50.63805 
1 1 1 3   2  1  o 304.4283 5.838501 4539.930       173.9773 4638.173       249.3889 4446.790       242.8245 307.4482 8.294608 301.0380 8.248491 6.410187       11.69778 
1 1 1 3   2  2  o 982.8369 18.24858 47704.27       1755.564 49197.75       2541.697 46341.74       2427.708 993.0778 26.17056 964.0948 25.74895 28.98297       36.71385 
1 1 1 3   2  3  o 650.1418 12.06991 20768.68       768.1011 21032.02       1096.438 20514.89       1076.359 652.7121 17.17646 644.6660 17.07255 8.046082       24.21782 
1 1 1 3   2  4  o 497.9149 9.295437 12162.70       453.0344 12242.03       643.7875 12084.88       637.6315 498.7564 13.19866 495.5512 13.15707 3.205200       18.63634 
1 1 1 3   2  5  o 199.6888 4.059616 1952.529       79.34960 1999.910       114.0088 1908.014       110.5077 201.9640 5.773030 197.2682 5.729142 4.695847       8.133323 
1 1 1 3   2  6  o 433.8212 8.147614 9231.025       345.9771 9335.368       493.3098 9130.020       485.3582 435.6283 11.57931 430.8183 11.51998 4.810028       16.33372 
1 1 1 3   2  7  o 361.2248 6.854599 6397.492       242.3627 6410.454       343.2544 6384.605       342.2531 361.1346 9.719318 360.4066 9.710560 0.7279663      13.73900 
1 1 1 3   2  8  o 138.2832 3.139647 936.2913       42.49681 891.9000       81.78137 952.7122       49.73960 134.7337 6.217909 139.4319 3.647599 -4.698151      7.208840 
1 1 1 3   2  9  o 160.1185 3.468980 1255.553       54.36877 1280.000       108.9135 1247.439       62.74590 161.3710 6.911252 159.5323 4.021395 1.838715       7.996063 
1 1 1 3   2  10 o 165.8017 3.575554 1346.328       58.02814 1446.000       119.6445 1315.671       66.35491 171.5070 7.142600 163.8319 4.141110 7.675171       8.256241 
1 1 1 3   2  11 o 127.3671 3.059822 794.2957       38.14693 740.0000       72.36066 815.1931       44.89169 122.7106 6.042994 128.9727 3.559405 -6.262085      7.013354 
1 1 1 3   2  12 o 680.8984 12.66882 22826.02       844.3543 23720.97       1226.916 22020.82       1163.779 691.7358 18.13607 666.6011 17.85210 25.13464       25.44827 
1 1 1 3   2  13 o 111.1179 2.950136 604.8660       32.05886 600.8281       44.07143 609.4039       46.72060 110.6980 4.074299 111.4753 4.289780 -0.7773132     5.916259 
1 1 1 3   2  14 o 358.5788 6.828367 6299.881       239.6667 6436.382       343.3633 6170.194       334.6831 362.1077 9.696186 354.5401 9.653094 7.567596       13.68204 
1 1 1 3   2  15 o 465.7322 10.09150 10640.05       460.0429 10534.98       559.2330 10860.00       809.1166 463.0004 12.35075 469.0924 17.65314 -6.091980      21.54471 
1 1 1 3   2  16 o 675.6698 14.51140 22451.52       959.7324 22451.52       959.7324 0.000000       0.000000 675.6698 14.51140 ?        ?        ?              ?        
1 1 1 3   2  17 o 506.0363 9.469193 12559.70       469.0303 12835.89       549.6621 11820.00       899.5429 511.3794 10.98111 488.9975 18.82874 22.38190       21.79693 
1 1 1 3   2  18 o 235.5299 4.763019 2716.572       109.8082 2783.126       128.4604 2536.000       211.5948 238.3744 5.505585 227.1700 9.537068 11.20433       11.01214 
1 1 1 3   2  19 o 231.6855 5.434678 2629.247       123.2477 2567.430       148.3463 2767.000       221.4475 228.8041 6.630790 237.2827 9.554049 -8.478668      11.62958 
1 1 1 3   2  20 o 245.6777 7.026589 2960.986       168.7991 2862.000       233.6764 3069.000       244.1007 241.2470 9.916843 249.8231 10.00251 -8.576080      14.08524 
1 1 1 3   2  21 o 128.9663 3.914591 815.2222       49.35892 806.5947       59.78151 833.7000       87.48870 128.2348 4.771038 130.2206 6.888325 -1.985840      8.379249 
1 1 1 3   2  22 o 220.0185 6.431213 2375.430       138.3541 2375.430       138.3541 0.000000       0.000000 220.0185 6.431213 ?        ?        ?              ?        
1 1 1 3   2  23 o 157.2553 3.643037 1211.092       56.07575 1195.542       64.22032 1261.000       115.0503 156.1687 4.205016 160.1304 7.359879 -3.961655      8.476437 
1 1 1 3   2  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   2  25 o 166.3898 4.333154 1357.569       70.51267 1350.634       85.79845 1372.000       123.7679 165.8859 5.290777 166.9432 7.594018 -1.057327      9.255346 
1 1 1 3   2  26 o 144.3582 3.508416 1020.812       49.57457 1041.057       57.69585 963.7000       96.90615 145.7051 4.049345 139.8915 7.100294 5.813614       8.173822 
1 1 1 3   2  27 o 330.1658 6.382832 5352.678       206.2774 5428.804       240.5262 5141.000       401.0820 332.3185 7.394380 321.7473 12.76069 10.57123       14.74829 
1 1 1 3   2  28 o 143.0493 4.075626 1003.775       57.00898 1048.574       71.19205 923.7000       95.17960 146.1281 4.984571 136.8908 7.127905 9.237274       8.697872 
1 1 1 3   2  29 f 239.5150 5.623673 2816.047       131.8436 2760.343       158.9277 2939.000       236.1159 236.8635 6.862041 243.7255 9.918047 -6.862015      12.06048 
1 1 1 3   2  30 o 189.7711 4.128340 1765.575       76.68524 1814.572       89.83599 1634.000       147.2150 192.3306 4.771950 181.9034 8.289879 10.42719       9.565228 
1 1 1 3   2  31 o 309.6030 6.060175 4710.197       183.6524 4842.965       216.0163 4364.000       348.8207 313.7166 7.034654 296.0135 12.06411 17.70313       13.96528 
1 1 1 3   2  32 o 273.5852 5.452147 3676.660       146.0045 3646.852       167.7050 3770.000       296.7660 272.3086 6.291849 275.2696 11.03649 -2.960938      12.70399 
1 1 1 3   2  33 o 244.0706 4.989244 2925.334       119.1946 2937.466       138.1506 2890.000       235.7641 244.4363 5.774053 241.1655 10.00925 3.270813       11.55529 
1 1 1 3   2  34 o 356.7382 7.984439 6290.550       278.8048 6426.969       346.4904 6040.000       469.5703 359.5286 9.855109 345.8564 13.89901 13.67215       17.03836 
1 1 1 3   2  35 o 63.30410 4.693409 197.9836       28.87528 244.7702       36.42877 118.9000       47.36165 70.33916 5.330729 47.92931 10.39513 22.40985       11.68227 
1 1 1 3   2  36 o 137.6252 4.147191 931.3105       55.80365 1005.024       70.45276 807.2000       91.41730 142.8156 5.047769 127.4676 7.358207 15.34801       8.923182 
1 1 1 3   2  37 o 157.2110 3.802494 1214.167       58.51372 1216.995       82.50114 1211.304       83.00294 157.0096 5.376115 156.6301 5.422100 0.3795624      7.635561 
1 1 1 3   2  38 o 107.4512 3.975926 568.6423       41.74516 554.5428       50.16318 600.4000       75.28502 105.9458 4.850076 109.6893 7.049256 -3.743469      8.556590 
1 1 1 3   2  39 o 114.6841 4.013834 648.3257       44.98821 666.5269       54.79968 610.7000       78.78995 116.0998 4.832715 110.3804 7.334033 5.719360       8.783118 
1 1 1 3   2  40 o 62.89660 4.681952 196.4795       28.61765 185.9000       45.36588 203.4719       36.88174 60.36982 7.863942 63.72389 5.982914 -3.354069      9.881136 
1 1 1 3   2  41 o 107.6971 4.059079 573.1922       42.71298 608.6000       72.04356 554.0002       53.04031 110.0688 6.718907 105.5656 5.148599 4.503174       8.464737 
1 1 1 3   2  42 o 79.54473 3.731340 312.7646       28.97146 292.3630       39.45352 336.6398       42.68011 76.51270 5.300773 82.11521 5.338960 -5.602516      7.523476 
1 1 1 3   2  43 o 47.49649 6.438041 115.1453       29.16111 115.3000       50.51912 115.0680       35.71117 45.88449 11.31934 46.96055 8.059098 -1.076057      13.89520 
1 1 1 3   2  44 o 90.45043 3.623008 404.5946       32.01154 399.8421       43.80501 410.0412       46.89511 89.49200 5.020863 90.52254 5.315945 -1.030533      7.312204 
1 1 1 3   2  45 o 58.34136 4.496252 170.0479       25.47840 167.3768       34.63124 173.1994       37.61754 57.33348 6.273249 58.16648 6.731191 -0.8330040     9.201227 
1 1 1 3   2  46 o 31.18482 7.538177 51.66867       22.75310 45.34322       30.78955 59.27908       33.77238 29.46845 9.437497 33.13532 9.756997 -3.666872      13.57444 
1 1 1 3   2  47 o 46.99620 5.426035 112.4335       24.50259 128.2222       33.74485 94.82526       35.63625 49.56438 7.163074 41.77016 8.983055 7.794212       11.48934 
1 1 1 3   2  48 o 19.21525 7.662326 11.46049       21.68892 1.921329       30.42017 21.32319       30.93175 19.97311 8.598142 23.62354 9.233643 -3.650429      12.61698 
1 1 1 3   2  49 o 29.90684 7.296263 48.29663       21.16617 76.84982       29.58468 18.35603       30.29492 37.47470 8.285716 22.77399 9.064230 14.70072       12.28061 
1 1 1 3   2  50 o 55.77196 4.306260 156.7631       23.32642 147.7895       32.41193 166.4050       33.59705 53.25985 6.341660 56.64456 6.158516 -3.384705      8.839909 
1 1 1 3   2  51 o 66.10026 4.228247 219.9258       27.21363 219.9408       34.23711 219.9000       44.84811 65.54662 5.383712 64.43169 7.236039 1.114929       9.019125 
1 1 1 3   2  52 o 30.35458 6.617465 49.56775       19.10581 55.46501       26.48035 43.16432       27.59340 31.50697 8.423835 28.00921 8.930423 3.497757       12.27654 
1 1 1 3   2  53 o 23.89124 8.002727 30.00191       22.03115 41.36712       25.31623 -5.464000      44.72142 27.35596 8.531986 22.18832 9.948832 5.167633       13.10626 
1 1 1 3   2  54 o 17.06214 6.869789 8.822840       17.60961 13.03466       25.24707 4.832578       24.57405 20.16919 8.187860 18.37343 7.813934 1.795759       11.31807 
1 1 1 3   2  55 o 45.06791 5.356482 105.6802       23.16772 106.0000       36.98145 105.4736       29.72330 42.91882 9.086452 44.06230 7.135469 -1.143482      11.55329 
1 1 1 3   2  56 o 30.26833 7.418132 51.09518       21.80399 28.97000       34.80502 65.38725       27.97345 24.97813 9.785430 33.78119 8.475119 -8.803055      12.94536 
1 1 1 3   2  57 o 27.55933 8.169139 43.01926       23.61001 44.15000       47.41596 42.64647       27.22509 28.90587 11.39201 27.40940 8.883198 1.496475       14.44607 
1 1 1 3   2  58 o 27.93950 7.062859 43.36060       19.32246 62.26113       27.55410 25.07301       27.10362 32.85184 8.503433 22.96365 8.729812 9.888195       12.18680 
1 1 1 3   2  59 o 37.95320 5.927598 76.69382       21.30121 68.65827       29.91329 84.96035       30.34016 34.30665 8.849797 38.62318 8.274432 -4.316528      12.11549 
1 1 1 3   2  60 o 30.43002 6.939923 51.36563       20.21153 75.97552       29.39582 29.29999       27.83485 36.28414 8.436991 23.94677 8.900975 12.33737       12.26418 
1 1 1 3   2  61 o 39.39759 5.526872 82.11627       20.72816 86.42731       29.66516 78.00346       28.97509 38.91478 8.053625 36.79221 8.249784 2.122562       11.52909 
1 1 1 3   2  62 o 21.75255 7.710668 24.84551       20.55518 21.68948       26.62717 29.50000       32.33633 21.83692 8.557744 24.26458 9.453389 -2.427656      12.75153 
1 1 1 3   2  63 o 36.13412 7.367823 74.18697       25.17482 84.92529       29.09527 42.20000       50.21584 38.25056 8.027368 27.77586 11.44270 10.47471       13.97763 
1 1 1 3   3  0  o 212.0369 4.251735 2201.471       88.24374 2234.781       126.0038 2169.408       123.6213 213.4967 6.035623 210.3500 6.010217 3.146744       8.517714 
1 1 1 3   3  1  o 202.5795 4.097044 2009.395       81.24044 2022.799       115.3747 1996.214       114.4140 203.1244 5.808830 201.7846 5.798765 1.339737       8.207812 
1 1 1 3   3  2  o 636.6024 11.84221 19909.76       737.9163 20535.04       1067.406 19337.38       1021.265 645.0302 16.92072 625.9984 16.68193 19.03180       23.76126 
1 1 1 3   3  3  f 288.1027 5.558421 4065.820       156.7491 4035.573       220.8020 4096.552       222.5619 286.7964 7.872889 288.9564 7.876215 -2.160034      11.13630 
1 1 1 3   3  4  o 695.7281 14.94825 23846.99       1017.973 23514.95       1235.202 24550.00       1797.285 689.4905 18.31844 700.6411 26.25331 -11.15057      32.01252 
1 1 1 3   3  5  o 142.5835 3.166368 995.3013       44.19130 996.2688       62.59700 994.3400       62.39536 142.5589 4.491540 142.4212 4.481385 0.1376801      6.344820 
1 1 1 3   3  6  o 147.1536 3.249793 1060.190       46.80936 1097.156       67.51707 1025.977       64.95415 149.5969 4.616415 144.6595 4.593086 4.937439       6.512122 
1 1 1 3   3  7  o 203.7891 4.139410 2034.005       82.57064 2049.000       164.8778 2028.985       95.39523 204.1528 8.267991 203.5126 4.788826 0.6401978      9.554712 
1 1 1 3   3  8  o 147.4006 3.271780 1063.926       47.20518 1155.000       97.17033 1035.793       54.00611 153.3212 6.489460 145.3755 3.798549 7.945679       7.519445 
1 1 1 3   3  9  o 403.3383 7.616662 7987.225       300.7048 8152.000       609.2327 7934.153       345.7567 405.2204 15.38776 401.7842 8.791673 3.436157       17.72221 
1 1 1 3   3  10 o 443.1901 8.340846 9647.751       361.8315 10600.00       772.8547 9380.438       409.4804 461.5700 17.13597 436.7560 9.578289 24.81396       19.63123 
1 1 1 3   3  11 o 477.5204 8.957229 11199.32       418.6700 11890.00       872.6551 10992.81       477.1730 488.9890 18.26423 472.8270 10.31021 16.16199       20.97337 
1 1 1 3   3  12 o 478.9061 10.38262 11266.07       486.7027 12320.00       897.3898 10826.87       579.3043 498.5186 18.42219 468.8984 12.63332 29.62021       22.33781 
1 1 1 3   3  13 o 190.4371 3.974771 1775.681       74.09176 1773.311       85.24561 1783.000       149.8203 190.2968 4.576509 190.5340 8.051413 -0.2371979     9.261192 
1 1 1 3   3  14 o 178.9949 4.383982 1568.743       76.80963 1568.743       76.80963 0.000000       0.000000 178.9949 4.383982 ?        ?        ?              ?        
1 1 1 3   3  15 o 362.9377 7.969208 6455.978       283.1089 6455.978       283.1089 0.000000       0.000000 362.9377 7.969208 ?        ?        ?              ?        
1 1 1 3   3  16 o 329.7108 6.327505 5325.347       204.2076 5265.086       233.8314 5519.000       419.1776 327.7901 7.287872 334.9265 12.80984 -7.136383      14.73788 
1 1 1 3   3  17 o 329.0224 6.328474 5303.378       203.8124 5386.420       237.7241 5073.000       395.9550 331.5331 7.325546 321.0837 12.62317 10.44946       14.59480 
1 1 1 3   3  18 o 763.9733 16.40000 28765.76       1226.389 29211.66       1518.707 27930.00       2079.198 768.2239 20.21424 747.0439 28.48656 21.17999       34.92992 
1 1 1 3   3  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   3  20 f 140.3518 3.958539 965.3371       54.32819 965.3371       54.32819 0.000000       0.000000 140.3518 3.958539 ?        ?        ?              ?        
1 1 1 3   3  21 o 264.3803 5.245721 3424.489       135.7502 3480.619       158.2340 3268.000       264.2067 266.4905 6.066132 257.6475 10.49838 8.843018       12.12493 
1 1 1 3   3  22 o 273.5023 7.658918 3673.430       204.8363 3474.000       278.8957 3907.000       301.8255 265.5272 10.75291 281.5763 10.97200 -16.04907      15.36261 
1 1 1 3   3  23 o 435.1427 9.506927 9310.463       404.9282 9118.408       488.7213 9731.000       723.1886 429.9819 11.62260 442.4001 16.73067 -12.41815      20.37156 
1 1 1 3   3  24 o 375.9701 7.170116 6939.404       263.8674 6986.167       306.0586 6804.000       520.7987 377.0388 8.293014 370.2910 14.39623 6.747742       16.61401 
1 1 1 3   3  25 o 87.62077 3.735333 376.7758       31.96281 356.6605       37.95795 425.8000       59.25774 85.18526 4.569030 92.91171 6.557942 -7.726440      7.992662 
1 1 1 3   3  26 o 236.4945 5.534878 2743.434       128.1254 2722.454       155.9536 2787.000       224.7340 235.3603 6.776546 237.6231 9.682435 -2.262802      11.81825 
1 1 1 3   3  27 o 227.9326 4.670888 2547.225       104.2106 2535.523       120.0510 2583.000       209.9024 227.3404 5.394895 228.7161 9.395936 -1.375702      10.83460 
1 1 1 3   3  28 o 239.3757 4.866419 2810.319       114.0239 2835.922       132.4448 2737.000       224.1270 240.3777 5.629040 235.2866 9.752892 5.091110       11.26077 
1 1 1 3   3  29 o 237.8461 6.861274 2783.420       159.5706 2879.000       229.5210 2694.000       222.0007 241.2546 9.739450 233.3617 9.740348 7.892883       13.77430 
1 1 1 3   3  30 o 207.5034 5.063657 2112.832       102.8480 2112.832       102.8480 0.000000       0.000000 207.5034 5.063657 ?        ?        ?              ?        
1 1 1 3   3  31 o 173.0679 3.925119 1468.443       66.49294 1472.577       76.74811 1456.000       133.1490 173.2030 4.530845 171.6966 7.944173 1.506363       9.145405 
1 1 1 3   3  32 o 207.9675 4.416499 2121.895       89.90416 2173.992       105.2208 1981.000       173.0387 210.4186 5.108710 200.0204 8.860167 10.39824       10.22749 
1 1 1 3   3  33 f 97.00467 3.474013 461.8956       32.93278 482.4950       38.26105 403.0000       64.69505 99.10471 3.952102 90.10417 7.400498 9.000534       8.389666 
1 1 1 3   3  34 o 67.98217 4.433959 227.8502       29.34381 227.8502       29.34381 0.000000       0.000000 67.98217 4.433959 ?        ?        ?              ?        
1 1 1 3   3  35 o 200.6228 5.002170 1979.049       98.23021 1979.049       98.23021 0.000000       0.000000 200.6228 5.002170 ?        ?        ?              ?        
1 1 1 3   3  36 f 194.7641 4.899759 1867.630       93.33510 1840.392       113.0330 1926.000       165.4698 193.0537 5.988892 196.5690 8.620948 -3.515320      10.49703 
1 1 1 3   3  37 f 153.8702 4.310031 1165.388       64.85046 1184.074       79.41948 1128.000       112.3406 154.8879 5.246028 150.4573 7.653261 4.430603       9.278643 
1 1 1 3   3  38 o 120.3297 3.486124 711.9911       41.01700 740.2485       57.57179 682.8634       58.45183 122.4371 4.813240 117.5249 5.093239 4.912140       7.007736 
1 1 1 3   3  39 o 65.96894 3.946913 214.9951       25.36956 221.3397       34.82882 207.8240       37.02803 66.67568 5.382311 64.47482 5.933754 2.200867       8.011162 
1 1 1 3   3  40 o 141.0318 3.662913 979.8094       50.52220 1012.953       71.98576 947.6355       70.92442 142.9471 5.153190 138.2215 5.251758 4.725662       7.357739 
1 1 1 3   3  41 o 72.78301 4.352303 262.6917       30.86506 236.4000       48.48469 280.6065       40.02217 68.18739 7.381891 74.94872 5.493609 -6.761330      9.201742 
1 1 1 3   3  42 o 121.0167 4.105454 724.4324       48.56053 765.8000       82.32624 702.3596       60.13619 123.2784 6.849449 118.7823 5.184721 4.496147       8.590477 
1 1 1 3   3  43 o 79.22221 3.770471 310.6027       29.15416 301.0999       39.61104 321.8353       43.06568 77.59684 5.245976 80.14439 5.523523 -2.547554      7.617715 
1 1 1 3   3  44 o 32.39045 8.535947 55.82191       27.43877 49.80000       48.65149 58.63083       33.22753 32.43498 11.81654 33.15573 9.654631 -0.7207451     15.25918 
1 1 1 3   3  45 o 45.23035 5.493717 103.7899       23.82405 103.2918       32.04781 104.4051       35.61901 44.42088 7.646435 44.34635 8.515221 0.7452393E-01  11.44452 
1 1 1 3   3  46 o 81.21214 3.850412 327.4559       30.52079 331.6749       42.20429 322.8306       44.18998 81.20634 5.339202 79.96963 5.682387 1.236717       7.797218 
1 1 1 3   3  47 o 34.22094 7.063699 62.00488       22.87620 74.64601       31.51537 47.92658       33.25864 37.01939 8.822900 30.08783 9.823146 6.931564       13.20370 
1 1 1 3   3  48 o 28.02261 7.828196 42.30361       22.29529 55.72267       30.16406 26.14446       33.10077 31.82567 9.178624 25.00414 9.612191 6.821526       13.29065 
1 1 1 3   3  49 o 17.18786 7.176596 4.944021       20.12736 6.618814       26.50287 2.661827       30.93774 19.54812 8.203607 20.14384 8.671302 -0.5957165     11.93694 
1 1 1 3   3  50 o 32.61629 7.271606 57.57777       22.62261 76.41254       28.09254 22.83000       38.15700 37.40883 7.919153 25.04507 10.10239 12.36376       12.83632 
1 1 1 3   3  51 o 50.12099 4.480047 127.2587       21.74752 113.5535       29.95261 142.5390       31.62693 46.31572 6.810101 52.23699 6.313393 -5.921276      9.286356 
1 1 1 3   3  52 o 20.72902 7.960449 17.66582       22.68591 32.84972       26.03403 -30.24000      46.24278 25.14128 8.694517 20.17843 9.432646 4.962849       12.82846 
1 1 1 3   3  53 o 49.73374 4.363962 125.5281       21.02901 114.3213       29.31154 137.4141       30.18680 46.38305 6.645792 51.19400 6.146889 -4.810951      9.052668 
1 1 1 3   3  54 o 51.29969 4.260055 133.5062       21.19842 136.2189       30.05234 130.8199       29.90637 50.87708 6.159914 49.78207 6.276635 1.095001       8.794355 
1 1 1 3   3  55 o 51.98873 5.252015 139.9489       26.36037 149.0000       50.79981 136.6137       30.83695 49.68836 10.75718 50.73898 6.347520 -1.050621      12.49031 
1 1 1 3   3  56 o 14.59262 6.569553 -6.615002      19.72108 8.321000       31.05558 -16.70820      25.52919 20.58942 8.771218 15.32012 7.109904 5.269300       11.29093 
1 1 1 3   3  57 o 20.09775 7.543366 18.36469       20.08932 58.18000       33.52445 -3.943382      25.09387 31.29844 9.826566 16.91789 7.527974 14.38055       12.37868 
1 1 1 3   3  58 o 27.90993 8.179426 44.30749       23.78214 60.32000       46.82254 38.74028       27.60859 31.59379 11.57935 26.34954 8.958581 5.244255       14.64027 
1 1 1 3   3  59 o 38.19440 6.438060 78.72619       23.21419 82.81940       29.46717 72.03000       37.68948 38.20590 8.129505 34.29680 10.35810 3.909096       13.16735 
1 1 1 3   3  60 o 63.16196 4.020412 202.3774       24.72705 209.3563       34.94563 195.3796       34.99307 63.13768 5.716426 60.80534 5.955715 2.332340       8.255184 
1 1 1 3   3  61 o 35.73825 6.625512 69.95503       22.32385 70.86748       29.05411 68.64000       34.87969 34.80797 8.582541 33.43917 9.933510 1.368797       13.12763 
1 1 1 3   3  62 o 38.04335 7.114365 80.79586       25.51869 101.7093       29.64213 20.92000       50.15599 42.60124 7.375516 25.23419 10.95168 17.36705       13.20369 
1 1 1 3   3  63 o 31.05378 6.778196 54.11345       20.02350 49.72204       28.32382 58.50095       28.31120 28.66494 9.036734 31.07496 8.870358 -2.410015      12.66277 
1 1 1 3   4  0  o 801.8142 14.87077 31663.70       1167.115 32486.93       1682.291 30899.79       1620.539 809.2549 21.25620 789.3568 20.99257 19.89819       29.87498 
1 1 1 3   4  1  o 370.3298 7.011465 6721.555       254.1579 6656.170       356.4305 6789.191       362.5138 368.1330 9.900528 371.7866 9.970495 -3.653625      14.05102 
1 1 1 3   4  2  o 298.3771 6.636312 4362.884       193.8199 4544.988       244.3634 4054.000       318.2543 304.3252 8.210868 287.0395 11.34967 17.28574       14.00833 
1 1 1 3   4  3  o 577.8034 12.45781 16417.87       704.5764 15902.30       844.3566 17600.00       1278.541 567.7957 15.20613 594.8542 21.99615 -27.05853      26.74055 
1 1 1 3   4  4  o 257.1356 5.029825 3238.650       126.5964 3200.777       177.5905 3277.779       180.5140 255.4228 7.110116 258.4764 7.141675 -3.053680      10.07756 
1 1 1 3   4  5  o 305.9658 5.884344 4587.438       176.2289 4487.423       245.8720 4693.101       252.7196 302.3083 8.316978 309.1588 8.358912 -6.850494      11.79167 
1 1 1 3   4  6  o 245.5126 4.833712 2952.875       116.1611 3067.000       236.9580 2916.773       133.2734 249.6577 9.715161 243.9677 5.580910 5.689941       11.20406 
1 1 1 3   4  7  o 85.09706 2.495657 354.8227       20.76521 350.5000       39.29730 356.4972       24.45879 84.44474 4.773711 85.27887 2.934506 -0.8341293     5.603539 
1 1 1 3   4  8  o 314.4973 6.037098 4850.188       185.8452 4996.000       377.9485 4803.688       213.4305 318.0148 12.16411 312.8846 6.968930 5.130188       14.01898 
1 1 1 3   4  9  o 221.5233 4.449133 2404.220       96.47195 2493.000       195.7368 2375.734       110.8739 225.0458 8.903345 220.1679 5.144806 4.877930       10.28293 
1 1 1 3   4  10 o 206.0944 4.203903 2080.528       84.80572 2329.000       180.3533 2009.994       96.09176 217.6099 8.483440 202.5428 4.846890 15.06715       9.770420 
1 1 1 3   4  11 o 284.0766 6.377408 3955.738       177.3315 3921.792       215.9605 4026.000       310.7032 282.6371 7.813684 285.9187 11.12311 -3.281616      13.59328 
1 1 1 3   4  12 o 473.9352 8.880891 11019.22       411.9853 11368.37       595.3346 10698.35       570.7151 480.6286 12.66555 466.2706 12.51607 14.35800       17.80641 
1 1 1 3   4  13 o 435.3008 9.449521 9294.306       402.6294 9294.306       402.6294 0.000000       0.000000 435.3008 9.449521 ?        ?        ?              ?        
1 1 1 3   4  14 o 326.9951 7.231561 5239.323       231.4619 5239.323       231.4619 0.000000       0.000000 326.9951 7.231561 ?        ?        ?              ?        
1 1 1 3   4  15 o 312.7058 6.028352 4789.693       184.5189 4904.880       216.1265 4480.000       354.3831 316.3991 6.978572 301.8193 12.01958 14.57980       13.89859 
1 1 1 3   4  16 o 330.6581 6.342659 5356.109       205.2848 5389.929       237.7436 5257.000       406.9897 331.6476 7.323618 326.8654 12.74505 4.782227       14.69937 
1 1 1 3   4  17 o 195.7216 5.872222 1878.093       112.3715 1815.000       153.4758 1951.000       164.9818 192.2420 8.174815 199.3019 8.476397 -7.059921      11.77612 
1 1 1 3   4  18 o 208.9751 5.016431 2138.743       102.6114 2188.688       126.3521 2042.000       175.8523 211.2781 6.116165 203.8593 8.833714 7.418762       10.74439 
1 1 1 3   4  19 o 147.7880 3.501080 1069.331       50.64627 1055.037       57.47371 1119.000       107.1359 146.7342 4.005329 150.9164 7.273996 -4.182220      8.303835 
1 1 1 3   4  20 f 187.3875 4.634203 1719.799       85.00058 1719.799       85.00058 0.000000       0.000000 187.3875 4.634203 ?        ?        ?              ?        
1 1 1 3   4  21 o 316.7928 8.707708 4930.307       269.7574 4906.000       380.0025 4955.000       383.0042 315.4109 12.33222 316.9775 12.36811 -1.566620      17.46579 
1 1 1 3   4  22 f 135.1243 4.789762 895.6722       63.25084 895.6722       63.25084 0.000000       0.000000 135.1243 4.789762 ?        ?        ?              ?        
1 1 1 3   4  23 o 300.3785 6.771005 4426.785       199.0803 4310.751       239.5285 4686.000       358.0116 296.1214 8.271929 308.0305 11.89637 -11.90915      14.48959 
1 1 1 3   4  24 o 232.5228 6.717372 2655.706       152.7269 2547.000       210.3100 2777.000       222.1534 227.3009 9.473392 237.3393 9.582322 -10.03842      13.47465 
1 1 1 3   4  25 o 326.5365 6.311672 5232.699       201.7355 5384.063       237.2852 4838.000       383.1713 331.0696 7.322259 312.4796 12.55307 18.59003       14.53255 
1 1 1 3   4  26 f 245.8971 5.709667 2966.553       137.4265 2980.406       168.4675 2939.000       237.5928 246.2205 6.997231 243.9397 9.971514 2.280869       12.18164 
1 1 1 3   4  27 o 377.7651 8.339465 7024.962       308.3658 6910.689       373.1676 7271.000       547.5618 374.0069 10.20291 381.7422 14.68139 -7.735291      17.87855 
1 1 1 3   4  28 o 224.5137 5.332917 2473.321       117.1963 2521.351       144.7711 2382.000       199.6254 226.4434 6.538392 219.5599 9.309866 6.883499       11.37647 
1 1 1 3   4  29 o 106.2522 3.291500 553.6378       34.19117 562.4760       39.16179 525.3000       70.12331 107.0665 3.742579 103.1231 6.988329 3.943436       7.927399 
1 1 1 3   4  30 o 273.6364 6.288686 3679.605       168.4379 3828.895       211.3923 3420.000       278.7601 278.7301 7.755708 262.5267 10.87156 16.20343       13.35447 
1 1 1 3   4  31 o 200.8147 4.960532 1979.197       97.50568 1979.197       97.50568 0.000000       0.000000 200.8147 4.960532 ?        ?        ?              ?        
1 1 1 3   4  32 o 194.3181 4.214639 1852.164       80.16409 1861.292       92.65907 1825.000       159.8450 194.7241 4.861408 192.0386 8.524873 2.685471       9.813600 
1 1 1 3   4  33 o 198.1496 4.935719 1928.312       95.73042 1928.312       95.73042 0.000000       0.000000 198.1496 4.935719 ?        ?        ?              ?        
1 1 1 3   4  34 o 192.7193 4.857249 1825.886       91.55365 1825.886       91.55365 0.000000       0.000000 192.7193 4.857249 ?        ?        ?              ?        
1 1 1 3   4  35 o 158.9886 3.775421 1240.497       58.75402 1228.185       67.28950 1280.000       120.5344 158.0674 4.353238 160.6344 7.688273 -2.566925      8.835170 
1 1 1 3   4  36 f 42.96538 5.976645 92.79049       24.45567 94.95048       28.69007 87.05000       46.77146 43.26895 7.013989 40.93546 11.30182 2.333492       13.30140 
1 1 1 3   4  37 o 153.2660 3.739406 1154.094       56.09895 1198.791       65.64073 1033.000       108.0431 156.0505 4.301465 143.9142 7.697868 12.13637       8.818151 
1 1 1 3   4  38 o 132.7521 4.104786 868.1148       53.27410 838.9156       63.63927 936.5000       97.39146 130.2942 4.999199 136.9484 7.291652 -6.654221      8.840824 
1 1 1 3   4  39 o 112.7109 5.079373 629.2023       55.89396 623.1000       78.43026 635.5000       79.67647 111.4894 7.225860 112.5817 7.269151 -1.092270      10.24957 
1 1 1 3   4  40 f 87.88826 3.558416 380.8066       30.54885 374.3725       42.15079 387.9256       44.33729 86.83951 4.979743 88.35963 5.148664 -1.520119      7.162861 
1 1 1 3   4  41 o 89.79441 3.538341 397.8054       31.03875 421.1126       43.22031 372.9828       44.60318 92.08257 4.811869 86.51178 5.292583 5.570793       7.153008 
1 1 1 3   4  42 o 38.98142 6.804923 78.38976       25.02079 129.0000       38.54445 41.53220       32.89319 49.80801 8.190434 29.02676 9.778987 20.78125       12.75585 
1 1 1 3   4  43 o 100.6085 4.097461 501.5003       40.26669 512.4000       66.00496 495.0392       50.81876 100.6668 6.737391 99.57598 5.232266 1.090790       8.530478 
1 1 1 3   4  44 o 42.37732 5.721614 91.37333       23.12752 76.50798       30.99200 110.0547       34.74293 37.90272 8.556962 45.82452 8.038733 -7.921795      11.74065 
1 1 1 3   4  45 o 103.6779 4.288568 534.3328       43.42763 521.8000       74.90240 540.6791       53.30072 100.7773 7.650394 103.8913 5.258503 -3.114037      9.283340 
1 1 1 3   4  46 o 76.66046 4.758352 294.1936       35.52941 384.1000       65.69398 257.0240       42.24006 86.04744 7.887414 71.10744 6.128548 14.93999       9.988514 
1 1 1 3   4  47 o 69.82111 3.999906 243.0708       27.22210 222.5959       36.43917 268.9290       40.95020 66.18552 5.679559 72.73402 5.799921 -6.548508      8.117664 
1 1 1 3   4  48 o 50.62030 5.357100 130.7355       26.14135 129.1735       31.21969 134.4000       47.81752 49.82044 6.561326 48.85807 10.32259 0.9623718      12.23139 
1 1 1 3   4  49 o 112.8860 4.005184 636.6716       44.18554 614.6174       52.98963 687.0000       80.04815 110.3409 4.918594 114.7468 7.162684 -4.405869      8.688879 
1 1 1 3   4  50 o 19.74755 7.911551 12.51180       23.23270 -15.57536      26.58464 103.3000       47.79601 16.05986 7.382379 41.70781 11.38923 -25.64795      13.57255 
1 1 1 3   4  51 o 63.10905 4.638695 201.7159       28.45435 202.3590       33.64392 200.1000       53.32728 62.77030 5.532341 59.91311 9.402534 2.857193       10.90937 
1 1 1 3   4  52 o 23.04858 7.433107 27.96115       19.07669 -7.244292      26.62554 65.09737       27.34591 17.13300 7.679744 34.16059 8.268137 -17.02760      11.28453 
1 1 1 3   4  53 o 21.33653 7.358988 22.89894       18.64554 38.19035       26.58176 8.087986       26.16083 26.49165 8.788482 19.47778 8.160733 7.013870       11.99312 
1 1 1 3   4  54 o 26.62389 8.791843 39.02497       26.61100 0.000000       0.000000 39.02497       26.61100 ?        ?        26.62389 8.791843 ?              ?        
1 1 1 3   4  55 f 63.08512 3.889014 200.7244       23.89771 207.8379       34.05765 193.8251       33.54121 63.24191 5.558270 60.97789 5.685037 2.264019       7.950724 
1 1 1 3   4  56 o 29.13132 6.955560 46.79990       19.55877 29.30401       27.76404 64.03665       27.55766 24.11406 8.903143 33.45317 8.422597 -9.339117      12.25586 
1 1 1 3   4  57 f 52.10555 4.251003 138.2468       21.49287 123.7159       30.12117 153.3193       30.67747 48.00623 6.583367 53.95428 5.905149 -5.948055      8.843727 
1 1 1 3   4  58 o 39.14867 6.071293 81.77869       22.51210 110.9000       37.14740 64.87578       28.30113 43.79043 8.968479 33.49024 8.591899 10.30019       12.41992 
1 1 1 3   4  59 o 72.96134 4.526506 271.8865       32.16756 212.1000       57.79115 298.7249       38.72021 59.57636 10.28162 75.95936 5.239859 -16.38300      11.53983 
1 1 1 3   4  60 o 27.54254 11.46874 34.31000       51.19727 34.31000       51.19727 0.000000       0.000000 27.54254 11.46874 ?        ?        ?              ?        
1 1 1 3   4  61 o 29.53191 8.119090 50.42387       24.19532 53.02220       27.92101 42.59000       48.48106 29.95599 8.884743 28.26499 11.39225 1.690996       14.44722 
1 1 1 3   4  62 o 18.94408 7.234334 16.02103       18.66611 17.63917       26.54245 14.43767       26.25563 20.93181 8.431907 20.22587 8.296955 0.7059402      11.82948 
1 1 1 3   5  0  o 715.9072 13.29039 25227.68       931.3242 25705.32       1335.004 24774.84       1299.881 720.2903 18.95162 707.1960 18.79501 13.09430       26.69113 
1 1 1 3   5  1  f 469.8539 8.795214 10831.96       404.4972 10994.96       577.9934 10675.51       566.2773 472.5999 12.50561 465.6946 12.43399 6.905212       17.63503 
1 1 1 3   5  2  o 912.5084 16.95832 41151.27       1514.698 42358.38       2188.017 40040.42       2098.969 920.8054 24.29720 895.4852 23.96801 25.32019       34.12945 
1 1 1 3   5  3  o 740.8776 13.76762 27047.39       998.4164 27977.80       1447.290 26202.55       1379.124 750.5951 19.71604 726.5375 19.41012 24.05756       27.66722 
1 1 1 3   5  4  o 411.5664 7.763149 8309.597       312.7405 8405.618       445.8931 8216.624       438.7569 413.2968 11.03192 408.6313 10.97943 4.665466       15.56442 
1 1 1 3   5  5  o 334.4413 6.387129 5483.891       209.0893 5760.000       430.6607 5398.733       239.1691 341.5851 12.90362 331.7372 7.365541 9.847809       14.85782 
1 1 1 3   5  6  o 285.1403 5.517645 3985.315       153.9992 3772.000       296.0096 4064.478       180.3241 276.5653 10.95625 287.8818 6.399312 -11.31647      12.68821 
1 1 1 3   5  7  o 180.9777 3.777108 1604.202       66.90993 1562.000       130.2875 1619.320       77.97852 178.2259 7.485031 181.8043 4.381922 -3.578415      8.673346 
1 1 1 3   5  8  o 413.4143 7.799274 8392.061       315.6065 8746.000       648.1437 8282.055       361.3390 419.6319 15.80789 410.4749 8.993362 9.157013       18.18708 
1 1 1 3   5  9  o 300.6113 5.803221 4430.040       170.7579 4793.000       358.1215 4323.238       194.2630 311.6649 11.76024 296.8851 6.684910 14.77988       13.52742 
1 1 1 3   5  10 o 228.1087 4.558310 2548.782       101.7775 2588.587       145.1532 2510.285       142.7472 229.6931 6.462556 226.1904 6.454038 3.502686       9.133413 
1 1 1 3   5  11 o 81.43080 2.598776 324.9315       20.68746 342.0380       29.04046 307.3064       29.47741 83.50539 3.561074 79.12975 3.817035 4.375648       5.220249 
1 1 1 3   5  12 o 182.3914 5.442339 1630.851       97.05327 1562.000       134.7802 1705.000       139.8693 178.3399 7.739388 186.3436 7.684836 -8.003662      10.90664 
1 1 1 3   5  13 o 79.15211 3.108733 307.1625       24.03846 292.7364       29.24673 337.2000       42.20210 77.22832 3.881405 82.81391 5.233003 -5.585587      6.515337 
1 1 1 3   5  14 o 276.5215 5.401684 3744.727       146.2057 3796.665       169.8262 3596.000       287.3816 278.4021 6.231979 270.4857 10.87664 7.916351       12.53551 
1 1 1 3   5  15 o 567.1781 10.56735 15784.91       586.6672 15967.28       682.6959 15270.00       1147.164 570.1939 12.23203 555.3040 21.14379 14.88995       24.42708 
1 1 1 3   5  16 o 609.7604 13.11654 18273.02       782.8612 18539.96       968.5560 17770.00       1329.581 613.3307 16.14737 598.3954 22.74110 14.93530       27.89077 
1 1 1 3   5  17 o 164.3107 4.268859 1322.832       68.59871 1338.644       82.35470 1287.000       123.9758 165.2505 5.097521 161.8449 7.849260 3.405609       9.359253 
1 1 1 3   5  18 o 253.3699 5.058815 3144.100       125.4614 3149.421       144.7167 3128.000       251.7263 253.5546 5.830972 252.2386 10.21669 1.315918       11.76355 
1 1 1 3   5  19 o 371.5658 7.071730 6767.457       257.1980 6806.570       297.9200 6653.000       509.6361 372.5408 8.169952 367.2734 14.20312 5.267426       16.38526 
1 1 1 3   5  20 o 210.5066 6.251131 2173.750       128.6617 2029.000       173.8584 2349.000       191.2996 203.1388 8.764348 218.5772 8.960342 -15.43839      12.53401 
1 1 1 3   5  21 o 134.2834 4.746498 884.4573       62.29000 884.4573       62.29000 0.000000       0.000000 134.2834 4.746498 ?        ?        ?              ?        
1 1 1 3   5  22 o 465.3256 12.44441 10685.01       566.3013 10690.00       800.3380 10680.00       801.4052 463.5053 17.67294 463.2741 17.70549 0.2311401      25.01634 
1 1 1 3   5  23 o 261.1098 5.189364 3341.844       132.6306 3399.195       154.6038 3182.000       258.1064 263.2732 5.999393 253.9951 10.40369 9.278046       12.00956 
1 1 1 3   5  24 o 168.2958 4.372790 1388.833       71.97307 1346.350       86.15067 1487.000       130.9570 165.6234 5.321017 173.8050 7.716928 -8.181610      9.373590 
1 1 1 3   5  25 o 214.6227 5.154339 2258.618       108.2816 2313.451       134.1269 2156.000       183.4874 217.0186 6.320852 209.1013 8.985829 7.917252       10.98628 
1 1 1 3   5  26 o 165.7796 4.327811 1347.938       70.16721 1313.477       84.24337 1426.000       126.7912 163.5602 5.268886 170.1386 7.632863 -6.578369      9.274792 
1 1 1 3   5  27 o 135.6987 3.939666 903.1689       52.27345 894.5692       63.19656 921.8000       93.01800 134.9804 4.790776 136.7800 6.970638 -1.799652      8.458211 
1 1 1 3   5  28 o 236.4729 5.554669 2744.618       128.5718 2761.561       157.6774 2711.000       222.1033 236.9358 6.805857 234.1373 9.712302 2.798462       11.85953 
1 1 1 3   5  29 o 130.1046 3.412827 829.9661       43.42481 857.3417       50.34396 750.4000       85.82815 132.1980 3.894843 123.3101 7.141460 8.887955       8.134510 
1 1 1 3   5  30 o 266.5953 5.320132 3488.905       138.8293 3598.281       163.2389 3203.000       263.9201 270.6029 6.162898 254.0825 10.63538 16.52042       12.29197 
1 1 1 3   5  31 o 175.1039 4.552121 1505.278       77.95562 1488.945       94.10511 1541.000       139.1683 174.0220 5.531653 176.5887 8.072749 -2.566742      9.786137 
1 1 1 3   5  32 o 158.5683 4.334015 1234.471       67.20560 1234.471       67.20560 0.000000       0.000000 158.5683 4.334015 ?        ?        ?              ?        
1 1 1 3   5  33 o 120.8908 4.001203 717.7365       47.28152 717.7365       47.28152 0.000000       0.000000 120.8908 4.001203 ?        ?        ?              ?        
1 1 1 3   5  34 o 198.4392 4.293027 1933.241       83.38679 1987.878       97.55061 1785.000       160.6841 201.1197 4.955291 189.5782 8.682259 11.54147       9.996825 
1 1 1 3   5  35 o 220.9420 5.335907 2402.738       115.3965 2375.951       139.8059 2460.000       204.4078 219.3060 6.520057 222.0371 9.426599 -2.731125      11.46176 
1 1 1 3   5  36 f 159.5961 3.788766 1250.844       59.18700 1292.683       69.21368 1137.000       114.1710 162.0948 4.366288 151.1552 7.742403 10.93958       8.888717 
1 1 1 3   5  37 o 145.9939 3.665867 1047.822       52.34483 1065.156       60.57246 996.7000       104.0235 147.0927 4.211389 141.3650 7.545005 5.727661       8.640770 
1 1 1 3   5  38 o 136.2723 3.591906 913.4785       47.86963 912.1788       54.90097 917.6000       97.76567 136.0651 4.126953 135.4748 7.400723 0.5902405      8.473632 
1 1 1 3   5  39 o 160.1267 3.848982 1262.317       60.32756 1296.897       70.42559 1167.000       116.9235 162.0872 4.443092 152.3563 7.866986 9.730927       9.034962 
1 1 1 3   5  40 o 44.95314 6.144487 102.3835       26.32970 126.2044       30.92926 39.68000       50.18059 49.90388 6.485063 31.35631 11.88818 18.54756       13.54197 
1 1 1 3   5  41 o 66.81039 3.909561 220.9700       25.45519 212.7350       34.56263 230.7320       37.63092 65.19459 5.466416 67.84463 5.719836 -2.650040      7.911904 
1 1 1 3   5  42 o 69.13219 3.868258 236.6776       26.07153 215.7396       34.71522 263.7646       39.48502 65.60791 5.455074 72.54173 5.604238 -6.933815      7.820825 
1 1 1 3   5  43 o 77.59514 3.715215 297.9838       28.13592 287.7950       37.57775 310.9833       42.44593 75.88534 5.088433 78.74703 5.542148 -2.861694      7.523799 
1 1 1 3   5  44 o 29.91639 8.027695 47.35366       23.99464 61.56000       34.40715 33.90345       33.47898 33.89109 9.811614 27.19361 9.817128 6.697487       13.87962 
1 1 1 3   5  45 o 58.37889 4.976568 171.1503       28.16667 126.6000       40.41051 213.2447       39.28087 48.80049 8.782797 64.75278 6.276104 -15.95229      10.79477 
1 1 1 3   5  46 o 128.9375 4.307052 827.6864       54.28196 862.8000       94.73335 810.5223       66.23328 129.4430 7.509075 127.0159 5.339268 2.427162       9.213793 
1 1 1 3   5  47 o 56.30044 6.667875 163.9578       36.03313 167.4000       52.53531 160.9000       49.51571 55.09361 10.11452 54.23809 9.682050 0.8555145      14.00163 
1 1 1 3   5  48 o 46.16034 5.779736 109.7567       25.54375 95.87119       30.29583 143.9000       47.50667 42.35354 7.586431 50.78820 9.912131 -8.434658      12.48216 
1 1 1 3   5  49 o 14.36881 6.658378 -16.28580      22.26236 -25.59883      25.17339 17.14000       47.69105 14.37742 6.794812 26.02579 10.96821 -11.64838      12.90236 
1 1 1 3   5  50 o 68.54611 4.479743 237.0118       29.89206 240.0266       35.19049 229.2000       56.64682 68.58883 5.282285 64.43959 9.245283 4.149239       10.64790 
1 1 1 3   5  51 o 47.99671 4.763762 117.3463       22.08536 134.2197       30.45470 98.62964       32.07509 50.67076 6.274247 42.48907 8.005908 8.181686       10.17157 
1 1 1 3   5  52 o 34.20378 6.370648 62.36078       20.54409 61.19833       28.84528 63.55745       29.26676 32.89609 8.790481 33.51398 8.807917 -0.6178894     12.44395 
1 1 1 3   5  53 o 46.53017 5.321462 111.9480       23.80122 120.7000       39.42712 106.9298       29.85491 46.19480 9.043418 44.58426 7.077329 1.610535       11.48355 
1 1 1 3   5  54 o 46.63639 4.551155 111.1225       20.51150 104.1865       28.21313 118.8988       29.87329 44.06977 6.755460 47.18707 6.652113 -3.117298      9.480868 
1 1 1 3   5  55 f 25.62559 7.172091 36.25403       18.69581 19.51171       25.49804 55.72065       27.49441 21.51623 8.391123 31.12433 8.692597 -9.608097      12.08190 
1 1 1 3   5  56 o 42.38297 4.923654 92.86189       20.04636 71.99286       27.50639 116.5024       29.27594 35.71122 8.060839 46.61765 6.600210 -10.90644      10.41825 
1 1 1 3   5  57 o 79.08535 3.542060 313.9770       27.34983 274.4031       37.91403 356.9117       39.49117 72.75282 5.361742 83.42533 4.857112 -10.67252      7.234626 
1 1 1 3   5  58 o 19.99442 7.349029 18.90930       18.88159 -8.416655      26.49798 47.09591       26.91203 16.69600 7.556524 28.59187 8.776508 -11.89587      11.58137 
1 1 1 3   5  59 o 23.24883 8.356365 28.02067       24.22568 74.60000       34.89236 -15.33000      33.66136 35.16969 9.781416 17.95585 8.273195 17.21383       12.81101 
1 1 1 3   5  60 o 28.86349 8.936576 48.57142       27.83057 45.26000       33.89758 55.42000       48.74853 28.04567 9.905528 30.56938 11.68678 -2.523712      15.31993 
1 1 1 3   5  61 o 53.55046 5.491567 150.7449       28.37762 173.0000       54.68398 142.5429       33.19752 52.47795 10.99818 51.15606 6.797937 1.321884       12.92949 
1 1 1 3   5  62 o 17.38605 7.038482 10.10692       18.59709 13.77596       26.30184 6.438765       26.29867 20.08439 8.278456 18.72581 8.026762 1.358582       11.53090 
1 1 1 3   6  0  o 447.1489 8.392520 9812.975       367.3253 9938.682       524.3248 9691.813       514.7600 449.2045 11.93535 443.6029 11.86573 5.601532       16.82997 
1 1 1 3   6  1  o 282.8693 5.478912 3920.811       151.7003 3966.668       216.3312 3876.444       212.7859 284.2373 7.782889 280.9882 7.743958 3.249084       10.97917 
1 1 1 3   6  2  o 500.4784 9.363854 12304.02       458.7184 12593.30       659.6008 12033.06       638.3717 505.1972 13.35042 493.8638 13.21755 11.33337       18.78662 
1 1 1 3   6  3  o 397.7727 7.519280 7763.315       292.7639 7488.113       404.4438 8066.249       424.3332 390.0292 10.60371 404.7911 10.71895 -14.76196      15.07762 
1 1 1 3   6  4  o 261.5199 5.111011 3351.554       130.8331 3472.000       266.9784 3313.487       150.0907 265.4586 10.29431 259.9749 5.898156 5.483704       11.86427 
1 1 1 3   6  5  o 300.4146 6.695302 4427.304       196.8781 4711.000       353.3754 4299.608       237.0822 308.9279 11.70737 295.7649 8.197191 13.16296       14.29184 
1 1 1 3   6  6  o 491.6929 9.220016 11887.69       443.7433 10810.00       828.5838 12321.08       525.4464 465.3907 18.22438 500.1609 10.73279 -34.77020      21.14996 
1 1 1 3   6  7  o 237.3074 4.705004 2759.385       109.2893 2485.000       203.4308 2870.706       129.5763 224.6292 9.272119 241.9966 5.470288 -17.36743      10.76551 
1 1 1 3   6  8  o 74.65078 2.509735 273.1295       18.31262 260.4000       33.10884 278.7402       21.98096 72.75448 4.673923 75.39243 2.984501 -2.637947      5.545521 
1 1 1 3   6  9  o 581.2791 10.83749 16617.66       616.6229 16118.82       852.8318 17164.11       892.6000 570.9179 15.27474 589.0636 15.49408 -18.14569      21.75739 
1 1 1 3   6  10 o 227.2630 4.548431 2529.521       101.1805 2576.036       144.3075 2484.543       141.9043 229.1723 6.439487 225.0619 6.448153 4.110474       9.112940 
1 1 1 3   6  11 o 166.9181 4.118412 1364.230       67.28826 1457.037       85.69444 1215.000       108.6648 172.4063 5.083559 157.2937 7.075950 15.11256       8.712729 
1 1 1 3   6  12 o 692.9973 14.87291 23629.00       1008.866 23325.44       1224.677 24270.00       1779.595 687.3861 18.21787 698.0419 26.09147 -10.65582      31.82225 
1 1 1 3   6  13 o 166.5831 3.658044 1358.533       59.64666 1354.252       83.08200 1363.087       85.68443 166.2179 5.112574 166.7524 5.256133 -0.5345154     7.332486 
1 1 1 3   6  14 o 118.3533 3.043873 686.1461       35.23324 670.0802       39.04433 756.6000       81.76310 116.9452 3.414561 124.0871 6.757195 -7.141937      7.570925 
1 1 1 3   6  15 o 263.8181 5.991879 3409.250       154.7298 3493.431       191.3030 3250.000       263.1208 266.8982 7.329618 257.1441 10.47569 9.754120       12.78528 
1 1 1 3   6  16 o 352.2068 6.732452 6078.071       232.1011 6160.330       270.1220 5846.000       453.7095 354.5143 7.784309 344.5691 13.47826 9.945160       15.56467 
1 1 1 3   6  17 o 366.5589 6.978345 6584.648       250.3816 6580.923       288.5522 6596.000       503.7261 366.3762 8.046204 365.8717 14.09199 0.5045166      16.22730 
1 1 1 3   6  18 o 215.7754 5.156755 2280.445       108.9142 2302.470       133.1945 2236.000       189.2080 216.6829 6.286582 213.2954 9.083375 3.387558       11.04667 
1 1 1 3   6  19 o 75.37647 3.659338 278.8461       26.91813 278.8461       26.91813 0.000000       0.000000 75.37647 3.659338 ?        ?        ?              ?        
1 1 1 3   6  20 f 270.9272 5.342586 3596.415       141.6806 3543.651       161.6786 3771.000       294.0968 268.8837 6.143020 276.7257 10.87881 -7.841980      12.49341 
1 1 1 3   6  21 o 330.0883 6.355217 5342.324       205.3368 5435.084       239.6279 5086.000       398.3372 332.8386 7.355250 320.9499 12.70475 11.88867       14.68028 
1 1 1 3   6  22 o 232.6627 4.723051 2652.381       107.5612 2707.826       125.5053 2499.000       208.7451 235.0361 5.455335 225.2404 9.489379 9.795746       10.94573 
1 1 1 3   6  23 o 180.3125 5.565475 1595.686       98.11016 1603.000       137.0571 1588.000       140.5045 180.4855 7.776302 179.6073 8.012253 0.8781738      11.16544 
1 1 1 3   6  24 o 342.3375 6.580170 5752.366       220.4945 5874.547       257.9615 5421.000       424.8222 345.7828 7.621585 330.6459 13.15240 15.13684       15.20113 
1 1 1 3   6  25 o 250.6797 7.164346 3089.532       175.6128 2853.000       235.4675 3386.000       263.6179 240.3542 10.03064 261.8163 10.30674 -21.46214      14.38202 
1 1 1 3   6  26 o 171.7720 4.432342 1447.322       74.46101 1386.954       88.64484 1592.000       137.2305 168.0564 5.395795 179.7414 7.818737 -11.68500      9.499855 
1 1 1 3   6  27 o 207.2083 5.028491 2106.044       101.9885 2060.812       123.1103 2205.000       182.0932 204.7659 6.149258 211.3479 8.821563 -6.581940      10.75329 
1 1 1 3   6  28 o 166.0381 3.767790 1351.068       61.23513 1388.300       71.26341 1246.000       119.7150 168.2184 4.331600 158.9252 7.718807 9.293152       8.851144 
1 1 1 3   6  29 o 164.4014 4.356415 1326.252       70.04192 1337.167       85.51239 1304.000       122.0940 164.9733 5.302413 162.5635 7.694835 2.409790       9.344842 
1 1 1 3   6  30 o 96.29595 3.901194 455.3298       36.69541 505.2497       45.06511 357.1000       63.21577 101.3881 4.552568 84.80190 7.699614 16.58620       8.944827 
1 1 1 3   6  31 o 233.4395 5.521635 2676.968       126.1677 2676.968       126.1677 0.000000       0.000000 233.4395 5.521635 ?        ?        ?              ?        
1 1 1 3   6  32 o 279.7718 5.564028 3846.581       152.3700 4014.372       180.4036 3429.000       284.5973 285.6059 6.453151 262.3197 11.10908 23.28613       12.84736 
1 1 1 3   6  33 o 216.6866 5.250024 2307.674       111.3524 2307.674       111.3524 0.000000       0.000000 216.6866 5.250024 ?        ?        ?              ?        
1 1 1 3   6  34 o 98.67149 3.872971 478.4937       37.33342 499.2346       44.58099 429.8000       68.30793 100.7140 4.533867 92.94172 7.574127 7.772263       8.827420 
1 1 1 3   6  35 o 146.5207 3.640168 1053.636       52.20675 1068.457       60.25400 1009.000       104.5654 147.4235 4.179763 142.5425 7.521024 4.880920       8.604430 
1 1 1 3   6  36 o 119.2661 3.439238 698.7931       40.10805 696.4863       45.78725 706.4000       83.14719 118.9995 3.936329 119.1724 7.161003 -0.1729126     8.171576 
1 1 1 3   6  37 f 110.0080 3.433545 594.9454       36.92674 602.3503       42.33710 571.4000       75.49384 110.6168 3.916335 106.9764 7.252583 3.640381       8.242429 
1 1 1 3   6  38 o 71.45928 3.749127 251.8451       26.13203 262.3859       29.59101 214.5000       55.69825 72.87900 4.165468 64.70090 9.041309 8.178101       9.954718 
1 1 1 3   6  39 o 93.07092 3.478094 426.6373       31.62983 419.2928       35.70716 453.4000       68.16125 92.17746 3.966816 94.91937 7.394593 -2.741913      8.391403 
1 1 1 3   6  40 o 141.8439 4.321100 994.4703       59.92452 931.2966       70.99450 1151.000       111.7518 136.9169 5.307435 151.0964 7.580250 -14.17947      9.253597 
1 1 1 3   6  41 o 104.0659 4.016464 535.4507       40.83592 539.2368       48.71280 526.5000       74.89944 104.2121 4.788295 101.8901 7.563960 2.322060       8.952165 
1 1 1 3   6  42 o 62.01964 4.116502 190.9971       24.84842 200.4608       33.49575 179.4153       37.05519 63.20466 5.467927 59.47205 6.469609 3.732609       8.470778 
1 1 1 3   6  43 o 81.53952 3.659185 328.9431       29.13069 325.9916       39.18607 332.5891       43.55315 80.80322 4.978642 81.44565 5.495351 -0.6424255     7.415238 
1 1 1 3   6  44 o 90.96049 3.552512 409.2063       31.56884 434.5353       42.91093 379.3247       46.60805 93.37262 4.710285 86.93336 5.505604 6.439255       7.245582 
1 1 1 3   6  45 o 25.90921 8.301167 34.28212       23.81955 8.569000       32.76690 63.09690       34.68691 21.97434 9.164562 34.13965 9.841732 -12.16531      13.44801 
1 1 1 3   6  46 o 96.24832 4.816740 463.9561       45.23454 461.6000       60.24882 467.0000       68.48168 95.11632 6.510494 95.10491 7.414960 0.1140594E-01  9.867531 
1 1 1 3   6  47 o 46.82748 5.648633 112.2769       25.36868 110.7030       30.38326 115.9000       46.09829 45.98262 6.968596 45.34145 10.58089 0.6411743      12.66951 
1 1 1 3   6  48 o 26.32500 9.905014 31.83896       34.68345 20.25000       46.45133 46.44000       52.13962 26.33494 10.94161 31.14349 12.03969 -4.808558      16.26877 
1 1 1 3   6  49 o 35.63511 7.341931 68.40551       24.75665 51.30494       28.12744 127.2000       52.15468 30.45795 8.886766 46.42245 11.53000 -15.96450      14.55732 
1 1 1 3   6  50 o 50.86297 5.300037 132.6479       26.00017 81.83000       39.03727 173.1637       34.85647 37.59320 10.30398 57.68626 6.274076 -20.09306      12.06383 
1 1 1 3   6  51 f 64.97232 3.884071 211.7114       24.58865 193.5611       33.36012 233.3006       36.38346 61.31013 5.621409 67.38234 5.565947 -6.072212      7.910753 
1 1 1 3   6  52 o 69.45458 4.225930 243.3058       28.59362 245.7000       44.99442 241.6839       37.03325 68.21132 6.830815 68.48228 5.572811 -0.2709656     8.815682 
1 1 1 3   6  53 o 53.73743 4.170863 146.0424       21.76696 143.8587       29.97910 148.4772       31.65553 52.48267 5.940049 53.18343 6.196843 -0.7007675     8.584000 
1 1 1 3   6  54 o 69.26604 3.622407 240.7632       24.47439 211.6378       33.22148 275.3322       36.19317 63.99786 5.352285 73.22997 5.080809 -9.232117      7.379809 
1 1 1 3   6  55 o 23.70680 7.191609 30.69016       18.14002 20.28863       24.66566 42.94333       26.77123 21.51470 8.290568 27.54383 8.797937 -6.029135      12.08872 
1 1 1 3   6  56 o 59.33892 3.946331 177.9703       22.79105 176.4476       31.90507 179.5569       32.56799 58.11710 5.681003 58.58406 5.753575 -0.4669571     8.085630 
1 1 1 3   6  57 o 65.85050 3.792755 218.6870       24.34327 231.3052       34.80617 206.6045       34.05915 66.75890 5.371799 62.92776 5.587521 3.831142       7.750911 
1 1 1 3   6  58 o 44.10340 5.546664 102.1451       23.41640 105.3622       29.73220 96.89000       38.00030 43.85469 7.174186 40.26694 9.746982 3.587753       12.10259 
1 1 1 3   6  59 o 35.75959 7.243796 71.01815       24.48501 67.08253       28.37272 82.50000       48.46190 34.00410 8.537830 35.60468 11.86806 -1.600574      14.62003 
1 1 1 3   6  60 o 36.89912 6.438775 73.82480       22.41006 67.16000       35.07070 78.42413       29.13387 33.19533 9.984359 36.97297 8.258860 -3.777641      12.95748 
1 1 1 3   6  61 o 26.39374 8.160591 39.98056       23.21654 18.71000       31.03253 67.02000       34.98859 22.07909 9.034470 32.92556 9.987736 -10.84646      13.46761 
1 1 1 3   6  62 o 30.09169 8.220533 53.30468       24.89433 44.44000       50.61768 56.13295       28.59111 28.23214 11.54368 30.47894 8.978096 -2.246798      14.62405 
1 1 1 3   7  0  o 43.63172 2.826615 93.60012       12.00692 103.4647       17.87767 85.49420       16.20587 45.78302 4.030435 41.58360 4.032016 4.199425       5.701014 
1 1 1 3   7  1  o 238.4801 4.726760 2786.664       110.3372 2829.351       157.7719 2745.802       154.3647 240.0642 6.720841 236.4953 6.675037 3.568817       9.472372 
1 1 1 3   7  2  f 482.5667 9.044381 11446.16       427.2110 11470.00       855.2044 11438.23       493.1504 479.5881 18.25108 482.0526 10.45150 -2.464478      21.03178 
1 1 1 3   7  3  f 145.9751 3.253945 1043.474       46.49381 1164.000       97.81162 1008.292       52.84577 153.9069 6.507396 143.4298 3.767391 10.47708       7.519271 
1 1 1 3   7  4  o 244.6421 4.834561 2932.947       115.7696 2745.000       220.6469 3004.341       135.9919 236.0353 9.570093 247.5458 5.612433 -11.51048      11.09442 
1 1 1 3   7  5  o 379.0831 7.184511 7052.689       266.5863 6976.000       527.4741 7078.998       308.9480 375.1819 14.38994 379.6104 8.314594 -4.428436      16.61935 
1 1 1 3   7  6  o 239.5007 4.747515 2810.589       111.2959 2811.000       221.0191 2810.449       128.8205 238.9179 9.469695 239.4471 5.496283 -0.5291748     10.94917 
1 1 1 3   7  7  o 174.7135 4.238544 1495.170       72.48521 1457.000       122.8643 1515.548       89.77260 172.1740 7.307023 175.7849 5.223217 -3.610870      8.981902 
1 1 1 3   7  8  o 193.3852 3.981880 1831.453       75.37333 1772.474       104.3931 1895.682       108.9402 190.1042 5.616302 196.6023 5.666914 -6.498093      7.978518 
1 1 1 3   7  9  o 333.5158 6.375689 5451.199       208.1373 5437.794       293.2314 5464.812       295.4825 332.7621 9.010946 333.5824 9.057839 -0.8203125     12.77660 
1 1 1 3   7  10 o 394.9913 8.615915 7651.442       333.1158 7472.753       401.6824 8045.000       596.1251 390.0135 10.53161 403.8872 15.10557 -13.87375      18.41448 
1 1 1 3   7  11 o 147.0917 3.788426 1059.964       54.49937 1009.410       65.47462 1174.000       98.33622 143.4999 4.667596 154.6642 6.510132 -11.16426      8.010510 
1 1 1 3   7  12 o 440.3005 8.273369 9502.847       356.5643 9460.926       502.5708 9545.336       505.9624 438.8298 11.71071 440.7806 11.73752 -1.950775      16.58041 
1 1 1 3   7  13 o 336.4143 7.426665 5545.932       244.5539 5823.000       436.0159 5418.763       295.3923 344.0282 12.97121 332.3068 9.089958 11.72141       15.83918 
1 1 1 3   7  14 o 446.7867 9.704055 9791.475       424.3847 10800.00       786.4645 9377.178       504.0709 467.8044 17.20478 436.8413 11.79939 30.96310       20.86217 
1 1 1 3   7  15 o 207.9929 4.308721 2118.231       87.72091 2168.563       101.6145 1971.000       173.7944 210.4344 4.933245 200.2884 8.887025 10.14601       10.16445 
1 1 1 3   7  16 o 150.6940 3.496860 1111.753       51.57990 1065.836       56.79258 1328.000       123.2486 147.4904 3.937405 164.4195 7.679342 -16.92903      8.629916 
1 1 1 3   7  17 o 280.1261 7.834619 3850.150       214.6105 3780.000       298.7023 3925.000       308.5472 277.2165 11.03014 282.4724 11.18145 -5.255859      15.70633 
1 1 1 3   7  18 o 238.0331 4.788662 2775.029       111.5726 2780.211       128.3454 2759.000       225.7377 238.2273 5.504052 236.8737 9.756897 1.353607       11.20230 
1 1 1 3   7  19 o 393.2548 7.467496 7584.386       287.4453 7651.207       333.8754 7393.000       565.0437 394.8457 8.638746 386.7820 14.95300 8.063721       17.26906 
1 1 1 3   7  20 o 95.93555 4.269732 451.6789       39.99419 451.6789       39.99419 0.000000       0.000000 95.93555 4.269732 ?        ?        ?              ?        
1 1 1 3   7  21 o 393.0013 7.459804 7579.531       286.9641 7513.448       329.1311 7789.000       585.9848 391.1105 8.597322 396.4482 15.12834 -5.337708      17.40059 
1 1 1 3   7  22 o 348.5581 9.480264 5980.439       323.1456 6064.000       459.9636 5899.000       454.0869 349.9709 13.45224 345.1658 13.46601 4.805115       19.03409 
1 1 1 3   7  23 o 172.8820 3.806308 1464.125       64.41099 1427.746       72.81491 1595.000       138.1088 170.6404 4.363035 180.0025 7.857497 -9.362122      8.987565 
1 1 1 3   7  24 o 184.7245 3.982067 1671.888       72.00114 1640.942       81.74330 1779.000       152.0771 182.9751 4.564087 190.0354 8.194927 -7.060349      9.380177 
1 1 1 3   7  25 o 238.1692 4.810823 2781.125       112.1531 2744.745       128.0452 2901.000       232.4332 236.5387 5.530380 242.3727 9.817659 -5.833969      11.26816 
1 1 1 3   7  26 o 219.4944 4.523923 2361.978       97.19522 2329.902       110.9281 2468.000       201.6717 217.9383 5.199983 223.5677 9.235613 -5.629456      10.59889 
1 1 1 3   7  27 o 236.8794 5.570105 2753.983       129.1507 2877.191       161.9852 2539.000       213.9730 241.8494 6.849547 226.6006 9.669214 15.24873       11.84947 
1 1 1 3   7  28 o 317.8863 7.152966 4970.426       222.5687 5191.071       280.3092 4594.000       366.1257 324.3219 8.838120 303.8800 12.33461 20.44186       15.17415 
1 1 1 3   7  29 o 174.7271 3.893144 1496.517       66.58356 1509.119       76.70627 1458.000       134.1040 175.3604 4.472471 171.8469 7.994391 3.513504       9.160419 
1 1 1 3   7  30 o 90.07770 4.752369 399.2323       41.75365 399.2323       41.75365 0.000000       0.000000 90.07770 4.752369 ?        ?        ?              ?        
1 1 1 3   7  31 o 178.0846 4.654531 1557.445       81.06549 1583.259       99.34316 1506.000       140.2442 179.4089 5.664118 174.4811 8.234881 4.927780       9.994774 
1 1 1 3   7  32 o 126.5472 3.463729 785.6719       42.86415 805.5413       49.44746 725.6000       85.97813 128.0923 3.948515 121.0937 7.287436 6.998604       8.288395 
1 1 1 3   7  33 o 163.5220 5.413939 1316.266       86.53595 1376.000       123.1491 1258.000       121.6258 166.7420 7.565065 159.3555 7.821340 7.386505       10.88134 
1 1 1 3   7  34 o 192.8754 5.883940 1834.140       110.9540 1834.140       110.9540 0.000000       0.000000 192.8754 5.883940 ?        ?        ?              ?        
1 1 1 3   7  35 o 142.2760 3.597381 994.1952       50.05827 996.2042       57.38484 987.8000       102.3843 142.3413 4.123044 141.0063 7.444403 1.334946       8.509913 
1 1 1 3   7  36 o 90.52223 3.940225 403.4464       34.82900 403.4464       34.82900 0.000000       0.000000 90.52223 3.940225 ?        ?        ?              ?        
1 1 1 3   7  37 o 74.31672 3.651685 272.0970       26.48221 274.2749       29.87135 264.1000       57.24050 74.54907 4.109508 72.24464 8.241780 2.304436       9.209506 
1 1 1 3   7  38 o 106.5371 3.442761 558.5302       35.85447 554.2692       40.76151 573.1000       75.37440 106.0414 3.933889 106.9369 7.243706 -0.8954926     8.242983 
1 1 1 3   7  39 o 175.2032 4.011153 1512.721       68.78876 1567.314       80.42934 1364.000       132.7498 178.0793 4.618081 164.3455 8.278866 13.73373       9.479783 
1 1 1 3   7  40 o 144.5002 3.686301 1029.632       52.09676 1051.418       60.05698 963.4000       104.7140 145.8558 4.211032 137.9919 7.784120 7.863892       8.850160 
1 1 1 3   7  41 o 100.9824 3.509973 503.1319       34.64134 526.7056       39.74390 428.6000       70.66880 103.2162 3.941077 91.65453 7.955851 11.56168       8.878494 
1 1 1 3   7  42 o 168.9560 4.594069 1416.525       75.90566 1442.723       92.63736 1363.000       132.4143 169.9629 5.575889 163.2056 8.316257 6.757294       10.01253 
1 1 1 3   7  43 o 35.01820 6.608398 63.65406       21.82122 64.53249       28.91893 62.49261       33.25265 34.79615 8.552385 34.15185 9.567432 0.6442986      12.83273 
1 1 1 3   7  44 o 42.35966 5.532082 91.21139       22.39001 88.16524       29.19029 95.56499       34.89692 41.01155 7.549639 42.33247 8.712480 -1.320915      11.52841 
1 1 1 3   7  45 o 26.72827 8.048534 37.34302       22.78003 33.58000       26.62942 47.61000       43.98605 26.01485 8.798737 31.23629 11.25581 -5.221439      14.28674 
1 1 1 3   7  46 o 39.27819 6.361837 80.09534       23.62318 88.10966       27.72485 58.86000       45.13000 40.94252 7.179776 33.30767 11.45044 7.634853       13.51524 
1 1 1 3   7  47 o 30.30067 8.867600 49.94195       27.96929 56.99000       32.97530 31.87000       52.80275 32.18798 9.681519 29.26878 11.85602 2.919201       15.30676 
1 1 1 3   7  48 o 50.78014 6.408773 134.1868       31.14671 124.9000       37.54084 154.7000       55.79385 48.04740 8.281230 51.61480 11.35272 -3.567402      14.05216 
1 1 1 3   7  49 o 53.74510 5.519948 148.2712       28.62659 131.7000       48.02608 157.4034       35.65233 47.84925 10.53935 54.75865 6.797529 -6.909405      12.54130 
1 1 1 3   7  50 o 44.42281 6.409212 103.7140       27.06368 69.96000       46.60552 120.8870       33.24287 34.63208 11.64003 47.51751 7.387133 -12.88543      13.78623 
1 1 1 3   7  51 o 55.20177 4.670546 154.8046       24.99976 166.9000       38.58525 146.0536       32.82026 55.98554 7.208157 52.72626 6.496507 3.259277       9.703717 
1 1 1 3   7  52 f 65.50304 3.790614 215.2862       24.20015 198.7699       32.54173 235.7222       36.19785 62.14913 5.402968 67.64656 5.514574 -5.497433      7.720272 
1 1 1 3   7  53 o 45.26466 4.688081 104.8141       20.47081 95.83675       27.35641 116.2377       30.85926 42.26086 6.847350 46.53932 6.990016 -4.278458      9.785015 
1 1 1 3   7  54 o 41.43406 4.915927 88.67544       19.54935 85.93479       26.56738 91.91171       28.86983 39.71122 7.095263 40.87136 7.492393 -1.160133      10.31885 
1 1 1 3   7  55 o 41.50724 4.912021 89.13094       19.57047 78.13192       26.58543 102.1417       28.91470 37.53881 7.497888 43.31643 7.062747 -5.777626      10.30052 
1 1 1 3   7  56 o 56.41603 4.006274 161.1413       21.97934 175.6995       30.81522 146.0649       31.35888 58.10091 5.483318 52.48795 6.224775 5.612953       8.295457 
1 1 1 3   7  57 o 54.85822 4.612470 154.2512       24.53829 152.9771       30.97017 156.4000       40.21973 53.82512 5.979077 52.98208 8.004783 0.8430367      9.991291 
1 1 1 3   7  58 o 20.28351 7.301881 20.16940       18.50570 27.78283       24.73832 10.49567       27.88542 23.26676 8.433448 20.11083 8.425662 3.155922       11.92119 
1 1 1 3   7  59 o 38.12781 5.668572 77.07286       20.51277 95.91631       27.70704 54.21707       30.51463 41.82377 7.016242 30.25057 9.356166 11.57320       11.69468 
1 1 1 3   7  60 o 30.31409 6.613525 50.59769       19.07060 81.70753       27.03380 19.78028       26.90644 38.20910 7.496147 21.63577 8.564428 16.57333       11.38164 
1 1 1 3   7  61 o 38.21039 5.582219 77.66071       20.26210 52.55384       27.79371 106.1399       29.60153 29.73916 8.875305 43.75018 7.159821 -14.01102      11.40325 
1 1 1 3   7  62 o 29.60228 8.694041 52.41339       26.84414 72.71000       31.94028 3.591000       49.53777 34.48340 9.265824 23.04671 10.39060 11.43669       13.92192 
1 1 1 3   8  0  o 424.7916 9.252883 8872.522       384.7328 8475.000       644.6772 9092.416       479.4762 412.9770 15.97830 429.3546 11.41906 -16.37756      19.63927 
1 1 1 3   8  1  o 251.4772 4.951721 3099.203       121.8880 2978.000       237.0532 3142.763       142.1132 245.8313 9.871578 253.1810 5.734520 -7.349716      11.41634 
1 1 1 3   8  2  o 318.2734 6.108384 4967.579       190.2974 5372.000       400.8332 4849.902       216.2181 329.7124 12.44234 314.3797 7.026374 15.33273       14.28922 
1 1 1 3   8  3  o 457.3792 8.590201 10278.13       384.5794 10170.00       762.4950 10315.02       445.3791 452.0006 17.26597 457.8996 9.936954 -5.898987      19.92127 
1 1 1 3   8  4  o 453.2209 8.515107 10089.38       377.7515 10770.00       790.6195 9888.049       430.0092 465.2965 17.38987 448.4144 9.796975 16.88217       19.95967 
1 1 1 3   8  5  o 149.3892 4.809618 1094.528       70.23760 0.000000       0.000000 1094.528       70.23760 ?        ?        149.3892 4.809618 ?              ?        
1 1 1 3   8  6  o 387.4290 7.330600 7362.442       277.9955 7190.000       545.6674 7422.888       323.0648 381.3322 14.64625 388.8697 8.487492 -7.537537      16.92779 
1 1 1 3   8  7  o 274.7756 5.343265 3698.928       143.7113 3777.213       206.0352 3624.755       200.5528 277.4204 7.594609 271.7647 7.546579 5.655762       10.70649 
1 1 1 3   8  8  o 124.2442 3.412734 756.3277       41.46418 737.6326       50.92508 793.1000       71.42133 122.6598 4.247947 127.1051 5.755555 -4.445221      7.153423 
1 1 1 3   8  9  o 204.7507 4.803278 2053.019       96.26522 1975.501       115.5380 2229.000       174.0827 200.7312 5.886719 213.0502 8.363962 -12.31900      10.22787 
1 1 1 3   8  10 o 343.6978 6.554974 5787.306       220.5231 5693.510       308.5340 5885.266       315.3098 340.6018 9.263036 346.2892 9.310790 -5.687408      13.13372 
1 1 1 3   8  11 o 262.4100 5.149165 3372.101       132.2585 3378.637       186.8472 3365.537       187.2368 262.4842 7.279421 261.9723 7.308936 0.5118713      10.31555 
1 1 1 3   8  12 o 320.1354 7.093144 5021.652       222.2689 4946.000       379.0352 5061.300       274.4005 317.1193 12.23393 321.1825 8.736355 -4.063263      15.03306 
1 1 1 3   8  13 o 304.0296 6.783226 4528.801       201.8637 4722.000       356.7171 4437.785       244.8381 309.8837 11.78177 300.7613 8.324703 9.122467       14.42605 
1 1 1 3   8  14 o 157.6740 3.579617 1217.122       55.24626 1287.969       78.97808 1149.238       77.30868 162.0975 4.983566 153.1006 5.166157 8.996887       7.178099 
1 1 1 3   8  15 o 591.1158 11.00908 17155.12       636.9861 17310.70       739.9832 16710.00       1251.634 593.4731 12.73839 580.2343 22.07805 13.23877       25.48935 
1 1 1 3   8  16 o 212.2940 6.337485 2210.165       131.5450 2188.000       182.7454 2234.000       189.5042 211.0223 8.867084 213.2105 9.101315 -2.188278      12.70666 
1 1 1 3   8  17 o 469.7099 8.814891 10823.61       405.2778 10907.85       470.1583 10580.00       799.5170 471.3452 10.19058 462.3979 17.69734 8.947296       20.42165 
1 1 1 3   8  18 o 89.76732 3.055365 394.9650       26.80736 392.0413       29.46754 409.0000       64.56327 89.41945 3.372755 91.03918 7.306509 -1.619736      8.047394 
1 1 1 3   8  19 o 349.2656 6.684918 5981.066       228.5378 5831.125       258.9122 6510.000       486.2860 344.7603 7.672360 363.0725 13.70796 -18.31216      15.70902 
1 1 1 3   8  20 o 257.9950 5.901325 3262.878       149.0277 3262.878       149.0277 0.000000       0.000000 257.9950 5.901325 ?        ?        ?              ?        
1 1 1 3   8  21 o 263.9781 5.222995 3415.419       134.9565 3343.683       153.3360 3662.000       284.2851 261.1305 5.999020 272.5065 10.67856 -11.37601      12.24826 
1 1 1 3   8  22 o 241.4507 4.848733 2857.296       114.5943 2854.807       131.8147 2865.000       231.8876 241.2895 5.581091 241.0400 9.849131 0.2494354      11.32051 
1 1 1 3   8  23 o 347.0688 6.658818 5912.997       226.2137 5855.725       259.2052 6096.000       463.3434 345.2151 7.670924 350.5121 13.53038 -5.296967      15.55360 
1 1 1 3   8  24 o 174.0232 3.819852 1483.733       65.06688 1444.300       73.42265 1628.000       140.4392 171.6111 4.374543 181.7981 7.911041 -10.18700      9.039977 
1 1 1 3   8  25 o 168.7161 3.762345 1394.734       62.13286 1415.590       71.72128 1332.000       124.3884 169.8873 4.316511 164.3902 7.752165 5.497101       8.872898 
1 1 1 3   8  26 o 250.5067 5.024474 3078.124       123.2015 3160.453       144.2377 2856.000       236.9185 253.7395 5.807437 240.2792 10.09591 13.46033       11.64705 
1 1 1 3   8  27 o 235.0413 4.775872 2709.589       109.8760 2739.052       127.2037 2623.000       218.0650 236.2324 5.501156 230.2820 9.696000 5.950378       11.14788 
1 1 1 3   8  28 o 179.7523 4.607312 1585.770       80.99724 1611.602       98.85411 1533.000       141.2880 181.0935 5.583478 176.1956 8.214880 4.897903       9.932748 
1 1 1 3   8  29 o 211.6094 6.274792 2202.822       129.8256 2202.822       129.8256 0.000000       0.000000 211.6094 6.274792 ?        ?        ?              ?        
1 1 1 3   8  30 o 179.4997 3.994904 1579.909       70.19017 1596.666       80.92162 1529.000       141.0466 180.3365 4.588045 175.8565 8.216753 4.479935       9.410908 
1 1 1 3   8  31 o 197.6944 4.277658 1917.350       82.77643 1929.396       95.51279 1881.000       165.9140 198.2379 4.922306 194.8912 8.719384 3.346771       10.01283 
1 1 1 3   8  32 o 183.7129 5.761385 1661.617       103.4750 1717.000       146.8477 1607.000       145.8293 186.2260 8.075212 180.0934 8.294852 6.132690       11.57642 
1 1 1 3   8  33 o 225.2080 5.427371 2494.717       119.6408 2602.322       149.9188 2306.000       198.5385 229.6244 6.677186 215.2355 9.446779 14.38887       11.56834 
1 1 1 3   8  34 o 65.21589 4.760937 210.1959       30.18213 222.4535       36.61278 184.2000       53.31919 66.97359 5.637279 60.14887 9.360698 6.824715       10.92710 
1 1 1 3   8  35 o 119.9849 3.890613 707.8485       45.63271 682.4080       53.68393 774.1000       86.63206 117.6862 4.669556 124.8195 7.120248 -7.133339      8.514851 
1 1 1 3   8  36 o 177.1350 4.002018 1542.639       69.38885 1551.548       79.79148 1515.000       140.5462 177.4585 4.597476 174.0660 8.272627 3.392471       9.464309 
1 1 1 3   8  37 o 56.75552 4.188976 159.4308       23.10738 154.1479       25.71367 181.6000       52.67440 55.71024 4.761037 59.38257 9.372773 -3.672329      10.51268 
1 1 1 3   8  38 o 67.99472 3.795792 228.2547       25.16266 225.4184       28.15766 239.5000       56.06706 67.48915 4.284542 68.48930 8.548965 -1.000145      9.562536 
1 1 1 3   8  39 o 119.3945 3.449331 702.0300       40.26892 697.5895       45.85401 717.0000       84.19240 118.9021 3.945331 119.4138 7.236950 -0.5117416     8.242517 
1 1 1 3   8  40 o 53.00724 4.552523 140.0078       23.39218 143.6934       26.10698 125.0000       52.68169 53.60061 5.034961 48.03553 11.38027 5.565083       12.44433 
1 1 1 3   8  41 o 116.6918 3.502419 671.7885       39.95975 663.2297       45.20210 702.4000       85.48612 115.8070 3.993634 117.6928 7.458981 -1.885872      8.460822 
1 1 1 3   8  42 o 88.36636 3.565467 385.9012       30.77634 375.2765       34.27639 430.1000       69.91045 87.02102 4.035047 91.63921 7.870040 -4.618195      8.844158 
1 1 1 3   8  43 o 63.04158 4.648366 198.4401       28.48187 186.3720       32.26830 241.0000       60.59763 60.84900 5.476243 67.60105 9.412850 -6.752052      10.88995 
1 1 1 3   8  44 o 56.68079 4.703602 160.9395       25.86112 168.8598       30.82146 142.1000       47.53572 57.82525 5.512001 51.31905 9.820782 6.506199       11.26188 
1 1 1 3   8  45 o 75.46884 4.114712 283.5183       30.28080 285.4622       35.98189 278.8000       56.05803 75.46541 4.897585 73.19391 7.952156 2.271500       9.339332 
1 1 1 3   8  46 o 48.73720 5.532590 121.0814       25.92692 115.1442       28.93093 145.3000       58.43097 47.18797 6.430782 50.21152 12.04375 -3.023544      13.65309 
1 1 1 3   8  47 o 28.76048 7.991872 44.73806       23.30406 38.13134       25.85839 73.31000       53.77475 26.88562 8.652560 36.04577 12.49426 -9.160152      15.19781 
1 1 1 3   8  48 o 33.44394 7.209962 60.14567       22.90672 52.43000       32.52816 67.73626       32.26344 30.80845 9.680392 34.77401 9.298729 -3.965557      13.42298 
1 1 1 3   8  49 o 42.78981 5.833028 95.10121       23.79554 95.81000       34.48320 94.45687       32.87809 41.56556 8.752625 41.45032 8.391724 0.1152458      12.12557 
1 1 1 3   8  50 f 42.75930 4.947218 93.62755       20.32455 100.2813       26.81360 84.64185       31.16012 43.61922 6.476491 39.10048 8.392696 4.518742       10.60105 
1 1 1 3   8  51 o 23.32651 8.182411 27.36674       23.10125 19.50000       40.79623 31.07980       28.02777 24.78478 10.27194 24.91751 8.984123 -0.1327324     13.64651 
1 1 1 3   8  52 o 66.18204 3.683648 219.5687       23.76882 211.1073       32.02243 229.9499       35.46964 64.17738 5.140556 66.79839 5.472750 -2.621017      7.508416 
1 1 1 3   8  53 o 46.78584 4.468755 111.5908       20.21642 99.15388       26.58447 128.6462       31.13164 43.14044 6.497021 49.15044 6.640689 -6.009998      9.290319 
1 1 1 3   8  54 o 44.34356 4.679460 100.9887       20.00513 106.1493       26.78969 94.48359       30.07801 44.65991 6.303426 41.29025 7.726018 3.369667       9.971185 
1 1 1 3   8  55 o 27.46443 6.780829 41.51103       18.11814 57.71972       24.09938 20.43977       27.47750 32.01856 7.769420 22.05637 8.678391 9.962194       11.64811 
1 1 1 3   8  56 o 29.60376 6.979104 48.47460       19.89126 31.78801       24.41189 81.44000       34.31206 24.33133 8.419052 37.10570 9.429184 -12.77437      12.64081 
1 1 1 3   8  57 o 38.09320 5.357944 76.17242       19.42664 81.95257       26.45039 69.40272       28.62514 38.51037 7.283687 34.68785 8.498655 3.822525       11.19282 
1 1 1 3   8  58 o 29.53719 6.658950 47.94979       18.79072 56.12719       25.07774 37.48080       28.37481 31.32236 8.114751 26.02845 9.072711 5.293903       12.17223 
1 1 1 3   8  59 o 43.61985 4.959119 98.84588       20.79816 92.65058       28.26580 106.1601       30.71235 40.88223 7.332917 43.75107 7.437586 -2.868843      10.44458 
1 1 1 3   8  60 f 30.06834 6.572032 49.83437       18.80139 57.20416       26.02063 41.78334       27.19670 31.36055 8.334888 26.92971 8.887866 4.430840       12.18460 
1 1 1 3   8  61 o 45.24936 4.728373 106.2733       20.63383 106.3322       28.87503 106.2119       29.49618 43.88905 6.952860 43.73656 7.135741 0.1524887      9.962985 
1 1 1 3   8  62 o 31.30514 7.005768 55.26108       20.93041 35.98982       26.61131 86.52000       33.89208 25.13155 8.784505 37.71246 9.252253 -12.58091      12.75820 
1 1 1 3   9  0  o 386.6837 7.316148 7335.761       276.9138 7136.000       543.1671 7405.914       321.8860 379.7243 14.64108 388.3680 8.467446 -8.643677      16.91328 
1 1 1 3   9  1  o 238.5084 4.738913 2786.911       110.6340 2758.000       219.3066 2796.780       128.1334 236.7212 9.483931 238.8897 5.479726 -2.168457      10.95319 
1 1 1 3   9  2  o 450.5464 8.461311 9965.713       373.1499 10180.00       757.0346 9896.940       428.8684 452.8841 17.10819 448.7578 9.763507 4.126312       19.69813 
1 1 1 3   9  3  o 194.7740 4.028832 1857.920       76.80975 1962.000       157.6807 1825.539       87.95004 199.7929 8.079588 193.0478 4.654414 6.745102       9.324340 
1 1 1 3   9  4  o 493.3820 9.237384 11952.05       446.1064 12330.00       910.7335 11832.74       511.6974 498.3065 18.70511 490.6525 10.65450 7.653992       21.52671 
1 1 1 3   9  5  o 319.2375 8.659838 5004.225       270.3513 4841.000       373.9284 5183.000       391.3344 313.4715 12.21000 324.3473 12.34882 -10.87585      17.36598 
1 1 1 3   9  6  o 134.8270 3.656346 890.6901       48.20913 919.8004       59.25595 833.7000       82.91039 136.9785 4.425310 130.2695 6.522947 6.709000       7.882398 
1 1 1 3   9  7  o 300.8797 6.690235 4436.028       197.0337 4386.338       239.9088 4539.000       345.3600 298.9856 8.205412 303.7550 11.63714 -4.769379      14.23909 
1 1 1 3   9  8  o 243.5652 5.553425 2905.619       132.3983 2825.530       159.6520 3082.000       236.9272 240.0431 6.801693 250.4680 9.682222 -10.42491      11.83252 
1 1 1 3   9  9  o 268.5336 5.248845 3531.434       137.9649 3609.997       197.7328 3456.904       192.5923 271.3141 7.452667 265.4969 7.418211 5.817169       10.51533 
1 1 1 3   9  10 o 405.5947 7.651810 8061.976       303.7824 8180.216       433.9913 7948.389       425.3651 408.1368 10.87317 402.3156 10.81141 5.821198       15.33338 
1 1 1 3   9  11 o 252.7016 5.749025 3127.703       142.2029 3082.000       242.2645 3151.727       175.6445 250.4653 9.901308 253.5211 7.085008 -3.055817      12.17511 
1 1 1 3   9  12 o 249.3855 5.694141 3046.187       138.9971 2902.000       231.2280 3127.768       173.9301 243.0361 9.739660 252.5530 7.042717 -9.516907      12.01919 
1 1 1 3   9  13 o 107.3579 3.548582 564.8779       37.23901 569.1285       42.94736 552.0000       74.75311 107.7374 4.079898 105.8849 7.256418 1.852455       8.324733 
1 1 1 3   9  14 o 662.4115 14.23840 21588.96       923.1989 21380.00       1587.570 21695.72       1134.800 655.2443 24.79750 662.9282 17.50357 -7.683899      30.35278 
1 1 1 3   9  15 o 351.9318 7.770448 6071.903       267.6768 6106.528       328.1096 6003.000       462.8585 352.6585 9.513826 349.0678 13.57252 3.590698       16.57487 
1 1 1 3   9  16 o 371.2399 7.061152 6755.279       256.5880 6705.969       294.4239 6911.000       523.2117 369.7910 8.134119 374.3480 14.30526 -4.557068      16.45613 
1 1 1 3   9  17 o 445.1423 8.376091 9721.355       364.9610 9829.373       424.2729 9414.000       715.6783 447.4255 9.687646 436.1430 16.79559 11.28253       19.38923 
1 1 1 3   9  18 o 250.1551 4.982713 3065.658       122.0061 3054.515       139.9242 3101.000       249.1927 249.6605 5.725806 250.9986 10.16382 -1.338074      11.66568 
1 1 1 3   9  19 o 410.2340 7.763874 8258.854       311.7571 8593.207       369.3227 7430.000       581.4897 418.2571 9.021037 387.2788 15.37006 30.97824       17.82183 
1 1 1 3   9  20 o 232.4616 6.635314 2652.841       150.8253 2652.841       150.8253 0.000000       0.000000 232.4616 6.635314 ?        ?        ?              ?        
1 1 1 3   9  21 o 261.7197 5.181924 3357.620       132.7497 3431.194       154.8873 3154.000       257.6692 264.5025 5.982459 252.8432 10.43372 11.65930       12.02715 
1 1 1 3   9  22 o 356.0287 6.809992 6222.547       237.3219 6298.929       275.8560 6005.000       465.5472 358.0244 7.871611 347.8839 13.69850 10.14050       15.79909 
1 1 1 3   9  23 o 216.9542 4.460063 2306.902       94.71425 2289.501       108.1879 2364.000       195.9785 216.0861 5.114998 218.9345 9.165367 -2.848358      10.49605 
1 1 1 3   9  24 o 196.2038 4.814795 1887.466       92.46799 1823.051       110.1710 2041.000       170.0879 192.6557 5.849014 203.4529 8.560018 -10.79726      10.36749 
1 1 1 3   9  25 o 258.0802 5.138681 3267.139       129.8113 3265.228       149.4782 3273.000       261.8159 257.9094 5.921128 257.2044 10.42105 0.7049866      11.98574 
1 1 1 3   9  26 o 223.2280 4.576162 2443.497       99.98994 2437.627       114.7605 2462.000       203.7431 222.8907 5.260104 223.1995 9.346432 -0.3087769     10.72495 
1 1 1 3   9  27 o 61.30262 3.859471 184.9188       23.04110 184.9188       23.04110 0.000000       0.000000 61.30262 3.859471 ?        ?        ?              ?        
1 1 1 3   9  28 o 58.03899 4.078637 165.9574       23.02328 165.9574       23.02328 0.000000       0.000000 58.03899 4.078637 ?        ?        ?              ?        
1 1 1 3   9  29 o 291.0192 5.728790 4160.462       163.1890 4261.051       190.9509 3888.000       314.2684 294.3306 6.627962 279.5249 11.51076 14.80566       13.28260 
1 1 1 3   9  30 o 122.6348 4.821393 739.3386       57.76241 821.2000       79.81214 649.3000       83.70349 129.0540 6.337550 114.5337 7.507667 14.52031       9.824948 
1 1 1 3   9  31 o 261.7552 7.468925 3381.963       191.1680 3547.000       276.1061 3230.000       264.9440 266.9366 10.58825 254.6848 10.65135 12.25172       15.01873 
1 1 1 3   9  32 o 211.3538 4.459506 2193.130       92.25777 2275.088       108.4164 1978.000       175.6507 215.1542 5.148005 199.5582 9.015656 15.59605       10.38191 
1 1 1 3   9  33 o 156.5047 4.373589 1203.885       66.93383 1234.830       82.67131 1145.000       114.0406 158.3402 5.341702 151.9459 7.692718 6.394287       9.365452 
1 1 1 3   9  34 o 77.59346 4.334892 296.7778       32.79288 316.1716       39.80352 255.8000       57.85818 79.98832 5.110534 71.26826 8.458753 8.720062       9.882715 
1 1 1 3   9  35 o 203.9847 4.354505 2046.318       86.94461 2050.975       100.0892 2032.000       175.5077 204.0570 5.011059 201.5367 8.918933 2.520340       10.23025 
1 1 1 3   9  36 o 167.1009 4.440810 1375.770       72.57082 1420.739       88.90821 1286.000       125.6187 169.5530 5.363852 160.3372 8.029680 9.215851       9.656432 
1 1 1 3   9  37 o 145.1457 4.146202 1038.277       58.84580 1038.277       58.84580 0.000000       0.000000 145.1457 4.146202 ?        ?        ?              ?        
1 1 1 3   9  38 o 102.3372 3.412149 515.6018       34.13188 517.4742       38.73614 509.1000       72.18185 102.4367 3.870225 100.6069 7.381205 1.829803       8.334316 
1 1 1 3   9  39 o 46.61940 4.828291 108.6778       21.71406 96.13805       23.93122 167.1000       51.65463 43.61657 5.744954 56.46662 9.694777 -12.85006      11.26913 
1 1 1 3   9  40 o 175.9501 4.026170 1528.596       69.34061 1540.197       79.84422 1493.000       139.8620 176.3079 4.630647 171.2247 8.370378 5.083176       9.565883 
1 1 1 3   9  41 o 73.95011 3.716643 270.5497       26.81646 257.8926       29.76536 325.1000       61.79375 72.07829 4.237607 79.59797 8.041304 -7.519684      9.089548 
1 1 1 3   9  42 o 71.88628 3.783062 256.0108       26.52554 251.7224       29.29891 275.5000       62.45969 71.17366 4.224586 72.64231 8.974908 -1.468651      9.919481 
1 1 1 3   9  43 o 83.45853 4.015266 345.5867       32.70509 345.5867       32.70509 0.000000       0.000000 83.45853 4.015266 ?        ?        ?              ?        
1 1 1 3   9  44 o 69.72900 4.924883 243.6452       33.39739 243.6452       33.39739 0.000000       0.000000 69.72900 4.924883 ?        ?        ?              ?        
1 1 1 3   9  45 o 71.42480 4.393007 254.8641       30.56404 242.7347       34.45108 299.7000       66.23642 69.45111 5.103414 75.04362 9.210213 -5.592506      10.52962 
1 1 1 3   9  46 o 44.41629 5.999790 101.6700       25.41818 96.88772       28.26333 121.9000       58.13033 42.98157 6.955388 45.50397 12.61374 -2.522396      14.40430 
1 1 1 3   9  47 o 56.87537 4.226274 162.4412       23.36002 148.5593       30.15023 183.2897       36.94910 53.76716 5.821605 59.47515 6.450040 -5.707989      8.688734 
1 1 1 3   9  48 o 67.21259 3.762174 225.6986       24.65239 230.3377       32.19263 219.1210       38.33334 67.42390 4.911625 65.16905 6.079515 2.254845       7.815661 
1 1 1 3   9  49 o 76.23385 3.593895 289.9730       26.74207 295.2762       35.79325 283.2726       40.23285 76.35606 4.813570 74.36245 5.567824 1.993607       7.360103 
1 1 1 3   9  50 o 31.70918 7.011025 54.39837       21.18194 66.96000       29.78492 41.54429       30.12963 34.51355 8.793051 27.74597 9.359200 6.767572       12.84182 
1 1 1 3   9  51 o 40.31008 5.743342 84.89722       22.02105 129.4000       31.97667 44.75338       30.37031 49.35180 6.800038 28.43953 9.392383 20.91227       11.59558 
1 1 1 3   9  52 f 42.01710 6.382851 93.68903       25.42644 132.7000       46.68027 77.23225       30.31882 47.50948 10.33288 36.99191 8.545375 10.51757       13.40865 
1 1 1 3   9  53 o 34.54624 7.363385 65.73707       24.13754 72.25000       43.13031 62.76700       29.12578 34.45152 11.18207 33.06498 8.831998 1.386547       14.24931 
1 1 1 3   9  54 o 25.12638 6.995508 34.72805       17.83682 32.03918       23.00748 38.77872       28.23890 24.36792 8.178324 26.50543 9.059284 -2.137510      12.20474 
1 1 1 3   9  55 f 27.59054 7.261927 42.36282       19.87536 51.82181       23.75369 20.28000       36.29409 30.25936 7.926661 23.62834 9.730446 6.631020       12.55044 
1 1 1 3   9  56 o 84.32542 3.437009 356.4885       28.30963 375.9284       39.29586 335.5121       40.81931 85.72115 4.701306 80.57763 5.203229 5.143524       7.012551 
1 1 1 3   9  57 o 43.57335 5.614486 99.93256       23.39027 98.71967       26.72750 103.9000       48.33979 42.75779 6.598186 40.16943 11.62984 2.588367       13.37121 
1 1 1 3   9  58 o 24.00763 7.201597 31.82084       18.26385 19.10713       24.37988 48.08126       27.57156 21.07847 8.209443 28.78942 8.891700 -7.710947      12.10195 
1 1 1 3   9  59 o 25.05209 7.201177 35.02322       18.59605 20.97080       25.52464 50.91985       27.14792 21.66053 8.410112 29.51832 8.762366 -7.857786      12.14533 
1 1 1 3   9  60 o 30.59529 6.525671 51.55132       18.94622 37.67802       26.44419 66.18378       27.15808 25.78796 8.767631 33.75837 8.282285 -7.970407      12.06099 
1 1 1 3   9  61 o 44.23945 4.818588 101.9506       20.52901 114.1141       28.82155 89.42449       29.24795 45.66505 6.642646 39.53860 7.834379 6.126446       10.27143 
1 1 1 3   9  62 o 25.43196 7.207748 36.95690       18.75965 43.25504       26.52279 30.65175       26.53753 26.96129 8.770132 23.70288 8.712399 3.258402       12.36208 
1 1 1 3   10 0  o 241.7718 4.802338 2862.944       113.6487 2777.000       222.3158 2893.349       132.2328 237.6595 9.576330 243.0213 5.558896 -5.361801      11.07282 
1 1 1 3   10 1  o 566.0210 10.55016 15735.79       584.5179 15290.00       1144.498 15893.10       679.8718 554.6031 21.12132 568.4985 12.21776 -13.89532      24.40049 
1 1 1 3   10 2  o 505.2675 9.453085 12529.16       467.5210 12130.00       912.1523 12671.39       544.4780 494.7682 18.86931 507.8867 10.95235 -13.11853      21.81754 
1 1 1 3   10 3  o 158.9270 3.500575 1236.598       54.45568 1245.000       107.9702 1233.731       63.06430 159.2308 6.944107 158.6807 4.063598 0.5500336      8.045710 
1 1 1 3   10 4  o 535.8956 9.998108 14094.34       524.4501 14230.00       1055.086 14049.82       604.4063 535.8282 20.15258 534.8008 11.54598 1.027405       23.22577 
1 1 1 3   10 5  o 240.3854 5.526072 2830.330       130.0262 3015.352       165.1903 2529.000       210.8118 247.9738 6.812150 226.8543 9.514961 21.11952       11.70213 
1 1 1 3   10 6  o 217.5090 6.225609 2319.521       132.4092 2319.521       132.4092 0.000000       0.000000 217.5090 6.225609 ?        ?        ?              ?        
1 1 1 3   10 7  o 834.7455 17.88767 34356.97       1461.551 34461.95       1794.329 34150.00       2519.445 834.1597 21.99509 825.4322 31.23933 8.727539       38.20575 
1 1 1 3   10 8  o 144.3538 4.882813 1021.567       68.89362 1149.000       101.0532 910.9000       94.17107 152.9927 6.764693 136.1635 7.090052 16.82925       9.799485 
1 1 1 3   10 9  o 193.9928 5.710303 1844.806       108.3124 1844.806       108.3124 0.000000       0.000000 193.9928 5.710303 ?        ?        ?              ?        
1 1 1 3   10 10 o 564.3627 12.14634 15642.58       670.9808 16390.00       1201.042 15303.47       809.0021 575.2097 21.36886 557.5401 14.83725 17.66956       26.01485 
1 1 1 3   10 11 o 578.2822 12.44673 16428.47       704.5328 16370.00       1214.496 16458.12       864.9421 574.6752 21.62934 578.0484 15.30025 -3.373230      26.49389 
1 1 1 3   10 12 o 559.8643 12.06563 15397.03       661.2090 15503.24       813.3151 15190.00       1135.529 561.0763 14.82215 553.6503 20.99152 7.426025       25.69708 
1 1 1 3   10 13 o 135.7064 5.018427 903.1487       66.54652 961.3000       92.98759 842.1000       95.27612 139.8982 6.811047 130.8638 7.469054 9.034348       10.10827 
1 1 1 3   10 14 o 495.5843 9.281863 12049.43       450.2553 11815.12       627.0215 12298.89       646.9609 489.9832 13.08531 499.8894 13.23366 -9.906281      18.61062 
1 1 1 3   10 15 o 125.7192 3.778958 774.5710       46.45011 784.4719       55.01846 750.0000       86.67242 126.4884 4.450704 123.4851 7.201932 3.003288       8.466203 
1 1 1 3   10 16 o 345.8523 6.613889 5862.923       223.8998 5930.923       260.0373 5668.000       440.2670 347.7644 7.639137 339.0213 13.29308 8.743073       15.33174 
1 1 1 3   10 17 o 325.0460 6.259122 5178.913       199.1427 4954.047       222.1963 6097.000       448.9688 317.8368 7.142109 351.5314 13.07082 -33.69461      14.89484 
1 1 1 3   10 18 o 238.5557 4.786252 2788.045       111.7614 2720.294       126.3872 3031.000       239.3374 235.6020 5.480471 248.1268 9.874127 -12.52481      11.29309 
1 1 1 3   10 19 o 218.9454 4.465815 2348.466       95.70679 2351.796       109.8826 2338.000       194.8040 219.0657 5.124461 217.9174 9.153094 1.148376       10.48996 
1 1 1 3   10 20 o 213.3049 4.385666 2229.237       91.56779 2231.540       105.1296 2222.000       186.3844 213.3779 5.033492 212.3979 8.985361 0.9799957      10.29916 
1 1 1 3   10 21 o 342.3931 6.565106 5753.464       220.0255 5896.956       257.7451 5368.000       422.4449 346.4734 7.600011 329.1057 13.14021 17.36771       15.17977 
1 1 1 3   10 22 o 372.9725 7.110924 6832.271       259.6026 6989.258       303.9559 6409.000       499.0995 377.0059 8.236757 359.0672 14.22872 17.93866       16.44082 
1 1 1 3   10 23 o 368.1885 7.032595 6659.596       253.4498 6827.778       297.1863 6211.000       485.3631 372.5694 8.149208 353.3247 14.06225 19.24466       16.25289 
1 1 1 3   10 24 o 172.5313 3.778666 1458.588       63.81352 1430.621       72.07759 1560.000       137.2525 170.7839 4.315141 177.8968 7.901891 -7.112885      9.003351 
1 1 1 3   10 25 o 121.6259 3.206623 725.1613       38.14182 747.2003       43.42105 650.7000       79.81229 123.4360 3.597625 114.8226 7.136552 8.613441       7.992076 
1 1 1 3   10 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   10 27 o 273.0368 6.222207 3663.030       166.2922 3663.030       166.2922 0.000000       0.000000 273.0368 6.222207 ?        ?        ?              ?        
1 1 1 3   10 28 o 238.1348 4.837591 2782.540       112.7608 2813.998       130.5271 2690.000       223.8725 239.3767 5.570735 233.0023 9.838135 6.374420       11.30584 
1 1 1 3   10 29 o 108.2501 3.732820 575.1457       39.49310 584.4106       46.24918 550.2000       75.88924 109.0649 4.340914 105.4251 7.401127 3.639793       8.580223 
1 1 1 3   10 30 o 272.2102 6.247500 3645.103       166.4627 3786.817       207.4682 3389.000       278.9022 276.9923 7.659397 260.8793 10.94642 16.11301       13.36003 
1 1 1 3   10 31 o 386.4827 8.587586 7391.479       324.8684 7652.453       406.7965 6932.000       539.7741 391.9781 10.61229 369.9159 14.93816 22.06219       18.32401 
1 1 1 3   10 32 o 65.81416 4.177239 213.4679       26.77121 204.5054       30.76789 241.4000       54.31688 64.32330 4.924222 69.37926 8.153790 -5.055962      9.525348 
1 1 1 3   10 33 o 54.72199 4.601274 148.1965       24.41792 155.4819       27.97667 124.9000       50.02789 55.98211 5.163680 49.04910 10.72019 6.933014       11.89899 
1 1 1 3   10 34 f 79.15975 3.375499 308.0575       26.09460 315.3398       29.39721 281.0000       56.66481 80.04868 3.762380 74.83909 7.852117 5.209595       8.706965 
1 1 1 3   10 35 o 147.3307 4.245507 1068.568       61.16120 1097.829       75.33707 1012.000       104.7481 149.1276 5.168942 142.4800 7.537617 6.647583       9.139673 
1 1 1 3   10 36 o 62.93248 4.914301 196.5458       30.03225 180.9368       35.74659 234.0000       55.37277 60.12246 6.161296 67.83969 8.526755 -7.717228      10.51985 
1 1 1 3   10 37 o 91.65361 3.747638 414.0448       33.55030 414.4954       38.76558 412.7000       66.97106 91.59455 4.336159 90.51347 7.630044 1.081078       8.776095 
1 1 1 3   10 38 o 79.78040 3.864863 314.2962       30.09142 314.2962       30.09142 0.000000       0.000000 79.78040 3.864863 ?        ?        ?              ?        
1 1 1 3   10 39 o 99.13477 3.388211 484.4084       32.82947 472.9580       36.64993 530.9000       73.85009 97.85758 3.833660 102.4522 7.414325 -4.594643      8.346806 
1 1 1 3   10 40 o 57.02396 4.109813 161.4930       22.78571 138.2077       24.83778 285.2000       57.24910 52.56562 4.883141 74.61688 7.961193 -22.05127      9.339468 
1 1 1 3   10 41 o 22.83902 7.379055 25.84906       18.79474 21.33257       20.42823 50.75000       47.96652 21.73905 7.688627 32.63396 11.75477 -10.89491      14.04598 
1 1 1 3   10 42 o 53.55764 4.650612 143.4934       24.13879 143.4934       24.13879 0.000000       0.000000 53.55764 4.650612 ?        ?        ?              ?        
1 1 1 3   10 43 o 130.9343 4.031722 850.0346       51.60985 850.0346       51.60985 0.000000       0.000000 130.9343 4.031722 ?        ?        ?              ?        
1 1 1 3   10 44 o 22.04944 7.858080 22.14106       21.37485 24.44088       23.60171 11.65000       50.40887 23.10938 8.254913 26.52671 11.23264 -3.417332      13.93972 
1 1 1 3   10 45 o 112.0939 4.021652 625.0245       44.05429 638.4363       51.78651 589.9000       83.80650 112.9637 4.693736 106.3059 8.115387 6.657784       9.375002 
1 1 1 3   10 46 o 89.42854 3.467845 397.0069       30.29829 384.3778       39.36922 415.3522       47.44974 87.51963 4.611908 90.59083 5.375270 -3.071198      7.082600 
1 1 1 3   10 47 o 45.11532 4.666181 103.2348       20.30885 111.4418       25.40532 88.70597       33.80260 46.50710 5.699854 40.05624 8.856845 6.450859       10.53243 
1 1 1 3   10 48 o 64.04988 3.703259 204.9848       23.11814 210.9742       29.96478 196.1774       36.33688 64.54855 4.776462 61.58368 6.108453 2.964878       7.754210 
1 1 1 3   10 49 o 42.12523 6.341781 93.30756       25.33906 58.84000       40.31654 115.8127       32.57756 32.22713 10.82618 46.47675 7.409655 -14.24962      13.11904 
1 1 1 3   10 50 o 42.63395 4.756572 92.87389       19.51205 108.7401       25.24655 69.33929       30.74813 45.74463 5.766247 35.03027 8.939126 10.71437       10.63756 
1 1 1 3   10 51 o 28.09188 6.618720 42.70683       17.89861 49.18253       22.72679 32.13027       29.04469 29.80933 7.726171 25.22276 9.138665 4.586575       11.96699 
1 1 1 3   10 52 o 44.03469 5.130845 100.0833       21.70134 64.38000       29.58910 141.6448       31.92443 33.57351 8.871860 51.77373 6.438210 -18.20023      10.96177 
1 1 1 3   10 53 o 38.65974 5.752376 78.76195       21.10556 74.87000       29.85475 82.65025       29.84080 36.23071 8.556047 38.31872 8.203478 -2.088013      11.85340 
1 1 1 3   10 54 o 23.84210 8.805696 28.56365       27.16355 25.29000       43.28782 30.69000       34.88731 25.54088 10.58274 25.29315 9.829034 0.2477245      14.44314 
1 1 1 3   10 55 o 64.53887 4.770521 213.4992       29.92350 160.8000       51.38399 240.5425       36.80909 51.71044 10.51048 67.97041 5.581730 -16.25996      11.90067 
1 1 1 3   10 56 o 59.37325 4.492809 180.1384       25.91671 163.5275       29.58114 235.0000       53.75923 55.99200 5.466939 64.36550 8.759962 -8.373505      10.32591 
1 1 1 3   10 57 o 29.97852 6.391501 48.99584       18.18188 54.80136       24.21655 41.49490       27.52640 31.02345 7.941801 27.02496 8.942486 3.998489       11.95994 
1 1 1 3   10 58 o 34.98052 5.767505 65.24210       19.06025 59.47868       25.20331 72.94240       29.13202 32.24066 8.019494 35.49070 8.498415 -3.250038      11.68483 
1 1 1 3   10 59 o 20.26192 7.170036 20.66970       17.76739 24.18337       24.31950 16.64736       26.02041 22.22108 8.308029 20.81057 8.360605 1.410511       11.78656 
1 1 1 3   10 60 o 40.51728 5.120640 86.08262       19.85541 98.31806       27.85148 73.43761       28.31380 42.21668 6.983949 35.55650 8.288873 6.660187       10.83886 
1 1 1 3   10 61 o 24.57097 7.175450 34.18113       18.33041 55.41018       25.74558 12.35627       26.10437 30.60019 8.360085 19.73344 8.200892 10.86675       11.71092 
1 1 1 3   11 0  o 299.4080 5.786788 4391.014       169.5927 4359.000       337.2527 4401.850       196.2050 297.7177 11.59513 299.7354 6.687534 -2.017670      13.38545 
1 1 1 3   11 1  o 464.8071 8.718472 10593.47       396.6609 10330.00       777.9973 10686.01       461.0919 457.3859 17.40936 466.6837 10.09389 -9.297882      20.12392 
1 1 1 3   11 2  o 486.5282 9.105280 11608.36       433.6183 11490.00       860.2200 11648.68       502.0718 482.2352 18.25700 487.2066 10.52801 -4.971405      21.07503 
1 1 1 3   11 3  o 668.3902 12.41100 21944.88       811.9760 21470.00       1597.583 22110.27       942.8337 657.0377 24.88586 670.4862 14.36611 -13.44855      28.73484 
1 1 1 3   11 4  f 522.3792 11.26427 13394.79       575.9636 13740.00       1015.289 13230.98       699.3940 527.1020 19.71310 518.6116 13.78983 8.490356       24.05755 
1 1 1 3   11 5  o 701.1976 15.04312 24189.85       1032.487 24722.62       1285.160 23220.00       1733.959 707.6722 18.56924 682.9958 25.98409 24.67639       31.93727 
1 1 1 3   11 6  o 388.5343 10.40426 7411.884       395.3263 7030.000       538.8552 7857.000       581.7581 377.7932 14.59923 399.3751 14.90796 -21.58185      20.86588 
1 1 1 3   11 7  o 351.6659 6.698389 6058.864       230.5721 6195.037       330.9258 5930.387       321.4377 355.2791 9.524597 347.6092 9.455900 7.669952       13.42133 
1 1 1 3   11 8  o 509.8050 9.528722 12747.38       475.4939 12864.61       676.4627 12632.90       668.5078 511.4088 13.52542 506.7859 13.48845 4.622864       19.10171 
1 1 1 3   11 9  o 324.0383 7.177808 5145.338       227.6640 5479.000       410.1985 4996.805       273.6859 333.7123 12.58038 319.1086 8.770408 14.60376       15.33578 
1 1 1 3   11 10 o 233.5844 4.695485 2671.800       107.3570 2687.273       151.7823 2656.309       151.8693 234.1020 6.630520 232.7454 6.673153 1.356552       9.407166 
1 1 1 3   11 11 o 284.4801 5.537793 3963.931       154.2037 3988.799       218.8206 3939.399       217.3408 285.1491 7.847351 283.3769 7.843113 1.772217       11.09483 
1 1 1 3   11 12 o 275.1496 5.396917 3708.167       145.3519 3685.956       204.7079 3730.751       206.4202 274.1094 7.637091 275.7697 7.654548 -1.660370      10.81283 
1 1 1 3   11 13 o 494.1151 9.252114 11978.64       447.4818 11781.11       625.0685 12186.29       640.8978 489.2522 13.06404 497.5774 13.17055 -8.325165      18.55081 
1 1 1 3   11 14 o 80.66743 2.960213 318.9894       23.33405 353.7422       33.47474 286.1431       32.54363 84.89920 4.039755 76.31533 4.374936 8.583870       5.954803 
1 1 1 3   11 15 o 220.1648 4.495450 2374.010       96.87846 2296.961       133.4277 2459.918       140.8903 216.3963 6.305995 223.9370 6.434275 -7.540726      9.009188 
1 1 1 3   11 16 o 57.74987 3.370042 163.8513       18.96712 163.8513       18.96712 0.000000       0.000000 57.74987 3.370042 ?        ?        ?              ?        
1 1 1 3   11 17 o 110.4375 3.396739 597.7835       36.67484 597.7835       36.67484 0.000000       0.000000 110.4375 3.396739 ?        ?        ?              ?        
1 1 1 3   11 18 o 270.8929 5.322992 3596.589       141.1431 3645.375       163.8119 3456.000       278.0822 272.6600 6.137871 264.7509 10.75312 7.909119       12.38156 
1 1 1 3   11 19 o 277.4924 5.438076 3774.927       147.7075 3825.585       171.4393 3629.000       290.9728 279.2707 6.271607 271.1577 10.98561 8.113068       12.64977 
1 1 1 3   11 20 o 113.1475 4.232786 628.1543       46.79626 628.1543       46.79626 0.000000       0.000000 113.1475 4.232786 ?        ?        ?              ?        
1 1 1 3   11 21 o 305.2866 8.411365 4587.156       251.1113 4724.000       359.6575 4457.000       350.7597 308.9407 11.91579 300.0557 11.96667 8.884949       16.88749 
1 1 1 3   11 22 o 258.6790 7.295703 3290.537       184.5443 3478.000       267.3824 3120.000       255.0259 265.3289 10.31502 251.2636 10.39170 14.06525       14.64197 
1 1 1 3   11 23 o 269.5740 5.317936 3564.907       140.3225 3719.562       165.7126 3173.000       263.7940 275.2508 6.150648 253.2141 10.66706 22.03664       12.31327 
1 1 1 3   11 24 o 227.1061 5.367648 2530.739       119.3216 2537.945       145.5952 2516.000       208.2341 227.1932 6.553895 225.6456 9.448896 1.547638       11.49936 
1 1 1 3   11 25 o 254.3013 7.208249 3183.177       179.2446 3183.177       179.2446 0.000000       0.000000 254.3013 7.208249 ?        ?        ?              ?        
1 1 1 3   11 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   11 27 o 77.69865 4.251982 296.9165       32.21460 296.9165       32.21460 0.000000       0.000000 77.69865 4.251982 ?        ?        ?              ?        
1 1 1 3   11 28 o 356.7075 7.919335 6273.123       276.5076 6416.859       342.7003 6005.000       468.0567 359.9730 9.735028 346.1562 13.84194 13.81683       16.92247 
1 1 1 3   11 29 o 179.7426 4.552192 1586.402       80.02548 1602.974       96.53754 1550.000       143.0784 180.5480 5.468877 176.9927 8.281679 3.555313       9.924456 
1 1 1 3   11 30 o 168.4073 3.817530 1390.917       62.92883 1366.458       71.13139 1479.000       134.9853 166.8108 4.360168 172.8706 7.999043 -6.059753      9.110200 
1 1 1 3   11 31 o 196.5720 4.217075 1896.556       81.14079 1919.580       93.61194 1827.000       162.7066 197.6720 4.838155 191.8553 8.686668 5.816772       9.943136 
1 1 1 3   11 32 o 72.89770 3.394809 261.1964       24.15689 262.5200       26.73108 255.3000       56.41961 73.04813 3.751093 71.32263 8.232492 1.725494       9.046803 
1 1 1 3   11 33 o 136.2475 4.020525 912.5291       53.56022 902.3336       64.14691 936.0000       97.32774 135.3482 4.849753 137.3130 7.267215 -1.964767      8.736849 
1 1 1 3   11 34 o 127.0087 3.916085 793.3403       48.62648 781.3740       57.89470 822.0000       89.59739 125.9103 4.705829 128.5655 7.147889 -2.655121      8.557870 
1 1 1 3   11 35 o 48.11251 4.843635 115.2292       22.50044 121.0826       25.45843 94.34000       48.09390 49.23944 5.369044 42.34091 11.36682 6.898529       12.57105 
1 1 1 3   11 36 o 51.82637 4.082611 133.0458       20.54358 135.5049       22.46685 120.5000       50.74710 52.25050 4.434695 47.68297 11.08390 4.567524       11.93814 
1 1 1 3   11 37 o 38.64356 7.192242 76.90582       26.20403 82.49609       31.08228 63.17000       48.72186 39.80820 8.248257 35.59321 11.90059 4.214989       14.47957 
1 1 1 3   11 38 o 92.59499 5.036683 425.9326       45.47787 390.1000       59.82153 475.0000       70.00271 87.99012 7.003469 96.97698 7.431239 -8.986862      10.21136 
1 1 1 3   11 39 o 96.54886 3.807874 460.5256       35.91562 460.5256       35.91562 0.000000       0.000000 96.54886 3.807874 ?        ?        ?              ?        
1 1 1 3   11 40 o 82.50095 3.483462 336.1198       28.06712 329.1736       31.12994 366.3000       64.88811 81.54738 3.911381 84.60681 7.927594 -3.059433      8.840002 
1 1 1 3   11 41 o 48.37056 4.990272 117.5564       23.28840 117.5564       23.28840 0.000000       0.000000 48.37056 4.990272 ?        ?        ?              ?        
1 1 1 3   11 42 o 50.83467 4.562654 129.3202       22.46179 132.8944       24.41264 109.6000       57.34291 51.45058 4.906861 44.17019 12.62924 7.280388       13.54898 
1 1 1 3   11 43 f 113.0515 3.968449 633.9598       43.84593 627.0801       51.19345 652.9000       84.94183 112.1469 4.673841 112.6540 7.750383 -0.5071335     9.050592 
1 1 1 3   11 44 o 136.0282 4.174148 920.0488       55.51226 928.2231       66.25912 900.8000       101.6767 136.1812 4.979135 131.9503 7.908647 4.230896       9.345506 
1 1 1 3   11 45 o 60.01325 4.577111 180.8972       26.68431 169.9954       29.64158 227.5000       61.28557 57.91897 5.286689 64.50388 10.03259 -6.584904      11.34028 
1 1 1 3   11 46 o 72.36672 3.684785 260.8806       26.01509 259.9233       33.78313 262.2753       40.77797 71.78228 4.836361 71.61066 5.869018 0.1716156      7.604982 
1 1 1 3   11 47 o 74.51179 3.583066 276.6539       26.05621 256.3722       33.70413 306.7819       41.07866 71.18690 4.866273 77.59003 5.443376 -6.403137      7.301435 
1 1 1 3   11 48 o 37.94795 6.934532 76.91204       24.80910 47.94000       39.12236 96.39919       32.08556 29.91576 10.63428 42.01784 8.094929 -12.10208      13.36472 
1 1 1 3   11 49 o 39.23632 4.934915 79.01804       18.53458 93.19807       23.41050 55.20004       30.34063 42.30560 5.806376 31.28873 9.257076 11.01686       10.92737 
1 1 1 3   11 50 o 47.41059 4.323844 113.9077       19.84499 113.2043       25.30784 115.0307       31.97821 46.71191 5.649701 46.25618 7.305038 0.4557304      9.234863 
1 1 1 3   11 51 o 50.26368 4.203476 127.9097       20.49168 135.0574       26.21450 116.6808       32.85693 51.16396 5.311654 46.37533 7.493680 4.788631       9.185255 
1 1 1 3   11 52 o 19.29085 7.012685 17.28825       17.12196 14.08898       21.67296 22.60046       27.92741 19.49727 7.696350 22.76405 8.808428 -3.266787      11.69710 
1 1 1 3   11 53 o 79.57150 3.822071 318.7928       29.68183 304.4919       35.53477 351.8000       53.98561 77.19530 4.725442 81.15983 6.859823 -3.964531      8.329885 
1 1 1 3   11 54 o 38.05235 5.847642 76.81324       21.08464 82.81000       30.14096 71.06664       29.50556 38.15436 8.306735 35.08648 8.647627 3.067883       11.99097 
1 1 1 3   11 55 f 50.89740 5.732428 136.0737       28.06273 163.3000       34.24281 80.39000       48.97100 55.33056 6.443036 35.40171 11.93194 19.92885       13.56038 
1 1 1 3   11 56 o 19.19901 7.155316 16.80755       18.01058 14.48096       23.47721 20.13517       28.07722 19.85057 7.952991 22.02003 8.738472 -2.169453      11.81571 
1 1 1 3   11 57 o 41.87010 6.290316 94.05918       24.98378 97.17000       46.40104 92.78913       29.64838 38.91862 11.43043 40.72097 7.720813 -1.802345      13.79368 
1 1 1 3   11 58 o 31.32052 7.811229 55.92172       23.86512 30.47000       45.36435 65.66108       28.06217 26.27703 10.85558 33.58590 8.523267 -7.308861      13.80180 
1 1 1 3   11 59 o 23.05365 7.193466 29.25856       17.99375 21.89223       24.93414 37.26376       25.99289 21.72728 8.345126 25.70988 8.692954 -3.982603      12.05025 
1 1 1 3   11 60 o 49.28780 4.436537 125.0661       21.17492 114.5712       29.58472 136.0894       30.32054 45.68456 6.824871 50.22619 6.306020 -4.541630      9.292188 
1 1 1 3   11 61 o 21.42550 7.294681 24.80666       18.30622 11.17012       25.73053 38.78418       26.05024 19.39126 8.106724 25.81595 8.702567 -6.424692      11.89343 
1 1 1 3   12 0  o 457.6315 8.586372 10267.20       384.6200 9939.000       751.6383 10383.63       447.6704 448.7922 17.14180 460.0848 9.940637 -11.29260      19.81559 
1 1 1 3   12 1  o 118.6018 3.098422 689.0517       35.93900 664.8000       70.16337 697.6777       41.84524 116.3331 6.183920 119.3242 3.586780 -2.991043      7.148837 
1 1 1 3   12 2  o 506.1187 9.463927 12562.84       468.8457 12110.00       912.3154 12725.35       546.5386 495.0311 18.86260 509.1999 10.96545 -14.16876      21.81831 
1 1 1 3   12 3  o 496.9765 9.300738 12112.31       452.4384 12050.00       899.9594 12133.39       523.3876 493.8469 18.65115 497.2394 10.75355 -3.392487      21.52915 
1 1 1 3   12 4  o 337.6199 7.448505 5585.987       246.1520 5638.197       303.6928 5486.000       420.2713 338.9575 9.161817 333.9052 12.88297 5.052307       15.80853 
1 1 1 3   12 5  o 205.2697 4.852364 2063.337       97.49548 2013.351       117.9771 2171.000       173.1426 202.6521 5.954037 210.2699 8.429501 -7.617798      10.32022 
1 1 1 3   12 6  o 250.9383 4.975738 3083.690       122.2167 3218.294       176.9080 2960.791       169.0413 256.1816 7.061675 245.7129 7.035679 10.46870       9.968351 
1 1 1 3   12 7  o 187.6916 5.673896 1727.059       104.1198 1955.000       154.8576 1539.000       140.6596 199.5513 7.944024 176.9984 8.140638 22.55292       11.37442 
1 1 1 3   12 8  o 350.7281 7.717872 6029.358       264.9563 6065.000       459.7736 6011.636       324.2026 350.9786 13.40777 349.9518 9.473310 1.026886       16.41682 
1 1 1 3   12 9  o 541.5471 11.68229 14404.24       619.2562 14169.86       749.1249 14910.00       1100.446 536.4673 14.27878 548.5759 20.53018 -12.10864      25.00743 
1 1 1 3   12 10 o 288.0263 6.492374 4064.776       183.0383 3682.000       297.9353 4296.834       231.9791 273.6008 11.14831 295.9375 8.015725 -22.33673      13.73086 
1 1 1 3   12 11 o 342.4615 6.546078 5746.834       219.4316 5919.843       316.5545 5586.809       304.4458 347.2369 9.322009 337.3318 9.229001 9.905060       13.11771 
1 1 1 3   12 12 o 324.1211 6.232694 5147.556       197.7376 5216.535       282.0683 5080.898       277.2796 325.9720 8.848499 321.7071 8.813745 4.264984       12.48912 
1 1 1 3   12 13 o 295.4065 5.738971 4275.526       165.9435 4351.547       237.3530 4202.836       232.0945 297.7455 8.151774 292.6141 8.111154 5.131409       11.49966 
1 1 1 3   12 14 o 599.4750 11.20764 17669.93       657.6450 17708.16       927.8818 17631.33       932.2345 598.5345 15.85184 597.1925 15.96225 1.342041       22.49610 
1 1 1 3   12 15 o 108.1702 3.050345 573.3281       32.26480 546.6638       44.32637 603.3755       47.05437 105.5595 4.299008 110.9059 4.342895 -5.346420      6.110827 
1 1 1 3   12 16 f 348.2220 6.660039 5946.654       227.0070 5950.828       261.7850 5934.000       455.7952 348.2274 7.680253 346.5109 13.46399 1.716583       15.50050 
1 1 1 3   12 17 o 252.8859 5.031467 3133.927       124.5448 3329.499       148.3990 2668.000       229.0537 260.6002 5.817682 232.6622 10.08178 27.93799       11.63992 
1 1 1 3   12 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   12 19 o 108.4008 3.928751 576.4190       41.61736 576.4190       41.61736 0.000000       0.000000 108.4008 3.928751 ?        ?        ?              ?        
1 1 1 3   12 20 o 93.65450 4.260128 430.7000       38.95101 416.4000       48.62783 456.3000       65.06356 91.98669 5.424830 96.14693 6.960600 -4.160248      8.824893 
1 1 1 3   12 21 o 193.8899 4.084406 1842.161       77.51580 1883.916       89.69836 1719.000       154.0525 196.0371 4.674552 186.7273 8.450485 9.309769       9.657232 
1 1 1 3   12 22 o 169.5796 3.725262 1409.024       61.83533 1412.353       70.55522 1398.000       128.4050 169.6977 4.250981 168.4114 7.810678 1.286301       8.892555 
1 1 1 3   12 23 o 167.1891 3.699473 1369.669       60.54161 1404.530       69.81741 1264.000       121.5546 169.2730 4.213761 160.0947 7.780196 9.178345       8.848007 
1 1 1 3   12 24 o 90.42113 4.340403 401.7741       38.30330 401.7741       38.30330 0.000000       0.000000 90.42113 4.340403 ?        ?        ?              ?        
1 1 1 3   12 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   12 26 o 197.0263 6.064264 1909.053       116.8130 1867.000       162.5174 1954.000       168.0169 194.3772 8.562791 198.8429 8.653218 -4.465683      12.17373 
1 1 1 3   12 27 o 175.8765 5.539614 1520.689       95.24704 1583.000       133.4560 1456.000       135.9788 179.0914 7.630510 171.6479 8.116301 7.443466       11.13997 
1 1 1 3   12 28 o 112.9815 3.989731 626.7653       44.05296 633.6799       52.83773 611.0000       79.78349 113.5255 4.765532 111.1106 7.377650 2.414879       8.782939 
1 1 1 3   12 29 f 194.8632 4.171633 1862.802       79.56866 1874.123       91.28574 1827.000       162.3388 195.3827 4.773210 192.0408 8.658464 3.341919       9.886989 
1 1 1 3   12 30 o 198.0597 4.219265 1925.169       81.79733 1917.015       93.40259 1952.000       169.4352 197.5552 4.830189 198.3486 8.748592 -0.7933197     9.993428 
1 1 1 3   12 31 o 269.7840 5.370891 3580.258       141.8302 3662.590       165.5397 3353.000       275.0293 272.6379 6.203115 258.8410 10.87951 13.79691       12.52367 
1 1 1 3   12 32 o 161.0831 3.718183 1273.537       58.62555 1251.799       66.34361 1351.000       125.2364 159.5769 4.251185 164.9442 7.778796 -5.367355      8.864663 
1 1 1 3   12 33 o 106.7416 3.210744 559.5175       33.50824 534.6804       37.17228 667.2000       77.40003 104.2917 3.646970 115.9075 6.852766 -11.61580      7.762782 
1 1 1 3   12 34 o 110.5268 3.253612 600.2047       35.16143 600.3672       39.60657 599.6000       76.38941 110.4839 3.667452 109.6613 7.155702 0.8225784      8.040789 
1 1 1 3   12 35 o 103.7288 3.783650 529.8337       38.35201 548.2251       45.51450 484.8000       71.22153 105.3993 4.421521 98.34192 7.454409 7.057343       8.667068 
1 1 1 3   12 36 o 144.2715 4.132088 1026.336       58.29197 1053.166       70.58670 968.8000       103.3669 145.9111 4.949455 138.9194 7.631038 6.991714       9.095594 
1 1 1 3   12 37 f 73.05473 3.936953 263.7613       28.04836 247.3870       31.63156 324.0000       60.67056 70.61684 4.601270 79.91283 7.857832 -9.295990      9.105888 
1 1 1 3   12 38 o 42.61573 4.706838 90.96361       19.30709 101.7243       20.83401 25.52000       51.37913 45.07521 4.795561 29.19762 11.74195 15.87759       12.68348 
1 1 1 3   12 39 o 65.34269 5.819328 214.6113       36.83096 255.8000       48.61113 159.1000       56.43353 70.95276 7.094421 54.33524 10.98888 16.61752       13.07999 
1 1 1 3   12 40 o 46.35314 7.433519 111.2573       32.58756 111.2573       32.58756 0.000000       0.000000 46.35314 7.433519 ?        ?        ?              ?        
1 1 1 3   12 41 o 76.47420 3.538341 289.3062       26.41448 289.5150       28.80002 288.2000       66.28496 76.42411 3.862483 74.05110 9.353123 2.373009       10.11927 
1 1 1 3   12 42 o 62.09802 4.295955 192.1970       25.95126 177.8097       28.57594 259.9000       61.98902 59.54005 4.947933 70.18368 9.248291 -10.64362      10.48870 
1 1 1 3   12 43 o 74.46285 4.093277 275.8587       29.71962 284.4127       33.64705 245.5000       63.38779 75.45966 4.576915 67.66367 9.860483 7.795982       10.87094 
1 1 1 3   12 44 f 91.27821 3.456483 412.8636       30.82637 417.7047       34.24755 392.2000       70.75552 91.68610 3.824499 86.34753 8.480815 5.338577       9.303280 
1 1 1 3   12 45 o 33.44432 7.034375 59.49973       22.29670 53.79625       24.39159 88.49000       54.99158 31.53601 7.915123 39.04462 12.62268 -7.508606      14.89903 
1 1 1 3   12 46 o 35.96648 5.846097 67.38489       19.87506 67.08731       24.87130 67.91067       33.06026 35.29061 7.435062 34.79124 9.460572 0.4993668      12.03256 
1 1 1 3   12 47 o 61.47924 4.744413 191.3556       28.33000 121.4000       42.87741 245.5562       37.74155 46.39347 9.752161 69.24367 5.616620 -22.85020      11.25394 
1 1 1 3   12 48 o 34.37653 5.585025 61.63556       18.14845 50.28151       22.18342 84.61508       31.55902 30.33724 7.510747 39.07378 8.494322 -8.736538      11.33864 
1 1 1 3   12 49 o 48.06092 4.248819 116.8080       19.78221 119.8050       25.44381 112.2275       31.45524 48.17154 5.494285 45.74523 7.267718 2.426304       9.110811 
1 1 1 3   12 50 o 40.18517 4.931282 83.07042       18.99074 70.55239       24.21598 103.0673       30.60662 36.07266 7.111214 43.60425 7.437619 -7.531590      10.29017 
1 1 1 3   12 51 o 30.12557 6.292613 48.77692       17.95609 45.21969       22.77102 54.62568       29.19831 28.48981 7.893623 30.91061 9.064257 -2.420801      12.01957 
1 1 1 3   12 52 o 16.75580 6.876538 7.134053       18.04559 7.705997       21.14927 5.603000       34.60300 17.86958 7.400006 21.09929 9.126971 -3.229704      11.74997 
1 1 1 3   12 53 o 18.69962 7.013647 15.38165       17.36041 11.18028       22.30670 21.83522       27.64650 18.90286 7.687976 22.40701 8.737784 -3.504145      11.63846 
1 1 1 3   12 54 o 28.20551 7.572813 44.66254       21.34515 35.46965       23.87923 81.21000       47.61271 25.33384 8.326606 35.68562 11.75902 -10.35178      14.40857 
1 1 1 3   12 55 o 39.63895 5.197867 82.08783       19.68211 82.57267       26.09076 81.44756       29.98272 38.73415 7.144713 37.74192 8.338546 0.9922295      10.98081 
1 1 1 3   12 56 o 23.35014 7.243408 29.88933       18.27379 22.61433       23.97153 39.98206       28.23472 21.83946 8.230835 26.63331 9.059527 -4.793850      12.24017 
1 1 1 3   12 57 o 21.87156 7.662193 24.78533       20.25295 29.36000       30.65876 21.24338       26.97716 24.32254 9.275554 22.02109 8.618553 2.301456       12.66157 
1 1 1 3   12 58 o 31.71535 7.020018 55.98132       21.21623 48.29000       33.69744 61.03257       27.30841 28.65280 9.892553 32.34964 8.511106 -3.696840      13.04996 
1 1 1 3   12 59 o 23.28542 8.115481 29.29893       22.70280 13.50000       46.50785 34.24141       26.01266 23.96693 10.47154 24.84910 8.685180 -0.8821716     13.60461 
1 1 1 3   12 60 o 43.20290 6.041708 100.5328       24.85166 126.6000       49.06744 91.53886       28.82181 43.86892 11.34354 40.16478 7.609591 3.704132       13.65949 
1 1 1 3   12 61 o 21.60440 7.708482 24.78444       20.57462 16.36649       27.35474 35.75000       31.22085 20.70390 8.478205 25.23809 9.417874 -4.534185      12.67187 
1 1 1 3   13 0  o 242.8165 4.847416 2887.241       115.2112 2753.000       223.5256 2935.807       134.4459 236.7052 9.667810 244.8261 5.610269 -8.120880      11.17773 
1 1 1 3   13 1  o 301.2643 5.834244 4445.651       172.0436 4316.000       336.9441 4491.373       200.0929 296.2430 11.64260 302.7666 6.751768 -6.523590      13.45870 
1 1 1 3   13 2  o 334.3956 9.069357 5487.786       296.5802 5184.000       403.4395 5845.000       437.4810 324.5621 12.72379 344.6240 12.99230 -20.06192      18.18501 
1 1 1 3   13 3  o 1050.195 27.86238 55058.70       2861.611 54840.00       4035.008 55280.00       4058.955 1037.582 39.80358 1041.660 39.88275 -4.078247      56.34677 
1 1 1 3   13 4  o 643.3870 11.96405 20332.18       753.4540 21238.29       1098.575 19527.41       1035.325 656.1151 17.12043 629.2014 16.82561 26.91376       24.00439 
1 1 1 3   13 5  o 335.0869 6.423062 5501.082       210.6715 5899.862       311.8188 5166.184       285.7536 346.7073 9.196378 324.4378 9.006882 22.26944       12.87235 
1 1 1 3   13 6  o 458.8781 9.948280 10332.08       446.8395 10660.00       790.5203 10178.12       541.6752 464.5546 17.41565 454.9950 12.17353 9.559631       21.24852 
1 1 1 3   13 7  o 619.4191 13.31806 18866.86       807.4802 18900.00       1399.290 18850.32       988.7125 616.5824 23.22670 618.1960 16.35382 -1.613586      28.40646 
1 1 1 3   13 8  o 390.8476 8.559040 7491.503       327.4453 7455.186       399.3621 7566.000       571.9798 389.5629 10.48282 391.6971 14.94588 -2.134216      18.25565 
1 1 1 3   13 9  o 274.0327 7.681598 3684.306       205.8408 3345.000       272.1364 4138.000       314.6822 260.7889 10.68346 290.0515 11.10436 -29.26260      15.40919 
1 1 1 3   13 10 f 411.4636 7.769154 8301.014       312.9041 8649.799       455.2791 7988.778       430.7644 419.4764 11.09802 403.1457 10.92628 16.33072       15.57400 
1 1 1 3   13 11 f 288.5174 5.617159 4078.171       158.6335 4023.526       222.3447 4134.823       226.3934 286.3221 7.941185 290.2545 7.976096 -3.932465      11.25524 
1 1 1 3   13 12 o 399.8024 7.564206 7838.877       296.0158 7849.260       419.0961 7828.541       418.1646 399.5132 10.72678 398.9869 10.71706 0.5262756      15.16309 
1 1 1 3   13 13 o 532.7352 9.961158 13944.53       519.4305 14008.90       736.9607 13880.99       732.2336 532.7205 14.14566 530.2896 14.11942 2.430969       19.98644 
1 1 1 3   13 14 o 275.1737 5.398456 3710.566       145.4061 3742.204       206.3435 3679.358       204.9344 276.0640 7.643513 273.7328 7.656116 2.331177       10.81847 
1 1 1 3   13 15 o 228.1631 4.626179 2550.417       103.3175 2472.729       142.8579 2635.613       149.6013 224.4550 6.509203 231.7264 6.602324 -7.271393      9.271483 
1 1 1 3   13 16 o 258.7809 7.360925 3289.554       186.2642 3597.000       277.9686 3039.000       250.9354 270.1047 10.53394 248.2707 10.34865 21.83406       14.76680 
1 1 1 3   13 17 o 94.79988 4.849622 441.5952       44.85143 374.4000       59.08040 533.0000       68.90626 87.06065 6.991642 103.9950 6.806651 -16.93438      9.757743 
1 1 1 3   13 18 o 359.3300 9.798959 6363.425       344.3293 6439.000       490.5083 6290.000       483.4783 360.1847 13.93912 356.0003 13.90132 4.184387       19.68618 
1 1 1 3   13 19 o 227.0516 4.612777 2526.820       102.5164 2603.760       119.6958 2315.000       198.6022 230.4268 5.306885 216.6194 9.388863 13.80734       10.78489 
1 1 1 3   13 20 o 202.6386 4.220339 2012.347       83.70972 1986.893       95.09052 2100.000       176.4586 201.3115 4.825722 206.3664 8.755594 -5.054825      9.997401 
1 1 1 3   13 21 o 247.1029 4.939944 2994.365       119.4830 3050.503       138.8297 2834.000       234.6454 249.3268 5.688623 239.4398 10.03397 9.886932       11.53434 
1 1 1 3   13 22 o 255.2946 5.886223 3199.525       147.0905 3103.776       175.6821 3424.000       268.9954 251.1629 7.153332 263.0307 10.46889 -11.86787      12.67942 
1 1 1 3   13 23 o 372.1864 8.200862 6822.503       298.7626 6822.503       298.7626 0.000000       0.000000 372.1864 8.200862 ?        ?        ?              ?        
1 1 1 3   13 24 o 193.8782 4.108854 1842.752       77.97511 1911.820       90.69390 1647.000       152.6840 197.4275 4.693148 182.5809 8.567315 14.84660       9.768548 
1 1 1 3   13 25 o 181.7285 3.918595 1618.921       69.70430 1620.105       79.54295 1615.000       144.6906 181.7506 4.471155 180.8337 8.195683 0.9169006      9.335977 
1 1 1 3   13 26 o 38.69660 4.779760 74.58497       17.72001 66.94000       18.99417 125.9000       49.21019 36.52063 5.482573 49.50123 10.48301 -12.98059      11.83013 
1 1 1 3   13 27 o 244.6947 4.927396 2939.225       118.0180 2926.778       135.2301 2979.000       241.7304 244.0587 5.660738 244.9678 10.10297 -0.9090881     11.58076 
1 1 1 3   13 28 o 202.2554 5.012223 2008.786       99.22858 1996.958       120.2714 2034.000       175.6021 201.4045 6.107861 202.6095 8.876029 -1.205002      10.77450 
1 1 1 3   13 29 o 136.7449 3.386406 916.7574       45.32695 905.6492       50.74525 960.6000       100.8142 135.8284 3.820589 139.3248 7.419177 -3.496353      8.345123 
1 1 1 3   13 30 o 181.0230 3.964286 1608.069       70.24329 1623.925       80.60206 1558.000       143.2290 181.8392 4.528478 177.2023 8.280527 4.636917       9.437916 
1 1 1 3   13 31 o 146.4332 4.003777 1053.508       57.33342 1053.508       57.33342 0.000000       0.000000 146.4332 4.003777 ?        ?        ?              ?        
1 1 1 3   13 32 o 93.32759 3.130743 427.7239       28.55936 447.6084       32.00059 349.9000       63.30775 95.44283 3.430959 83.61491 7.826053 11.82793       8.545092 
1 1 1 3   13 33 o 69.17467 3.280155 235.3943       22.14669 244.0394       24.33964 193.8000       53.38830 70.40675 3.543168 61.61964 9.127180 8.787109       9.790785 
1 1 1 3   13 34 o 46.86385 3.944447 108.7721       17.92603 111.2351       19.23724 92.53000       49.40086 47.35922 4.193129 41.92620 11.63046 5.433018       12.36325 
1 1 1 3   13 35 o 76.80688 3.839821 291.0117       28.77649 258.2383       32.24593 419.2000       63.77330 72.21613 4.585464 91.41196 7.185091 -19.19583      8.523614 
1 1 1 3   13 36 o 167.2346 3.815011 1377.217       62.44938 1395.640       71.50668 1318.000       128.2018 168.1404 4.348435 161.6669 8.127598 6.473511       9.217740 
1 1 1 3   13 37 o 76.09974 3.357881 285.5438       24.95078 288.7235       27.35459 269.8000       60.86817 76.46912 3.665256 72.42769 8.763795 4.041428       9.499379 
1 1 1 3   13 38 o 97.41170 3.815180 468.8530       36.30711 470.7766       42.03315 463.2000       72.05501 97.45471 4.417878 95.41129 7.782951 2.043419       8.949411 
1 1 1 3   13 39 o 90.66841 4.434170 408.0771       39.23336 408.0771       39.23336 0.000000       0.000000 90.66841 4.434170 ?        ?        ?              ?        
1 1 1 3   13 40 o 86.60428 3.893638 371.5126       32.92222 369.3673       37.28711 379.1000       70.12354 86.20103 4.434064 85.62451 8.477985 0.5765152      9.567505 
1 1 1 3   13 41 o 76.78979 7.369561 302.2000       54.71338 302.2000       54.71338 0.000000       0.000000 76.78979 7.369561 ?        ?        ?              ?        
1 1 1 3   13 42 o 78.94152 4.605865 311.0899       35.43499 307.4455       41.17302 321.5000       69.58677 78.18575 5.413383 77.99959 9.297203 0.1861572      10.75838 
1 1 1 3   13 43 o 85.52415 3.490588 362.3248       29.15950 367.1379       31.88216 337.7000       72.11378 85.99714 3.796902 79.63787 9.434099 6.359268       10.16950 
1 1 1 3   13 44 o 29.58344 6.629279 46.31134       18.71988 46.57302       19.77336 44.05000       58.12716 29.59358 6.946083 31.92260 12.60324 -2.329023      14.39061 
1 1 1 3   13 45 o 47.11311 4.637574 112.2489       21.10952 116.2249       22.71636 87.09000       57.14329 47.85299 4.919804 38.56723 12.88799 9.285763       13.79510 
1 1 1 3   13 46 o 21.15837 8.811671 10.04503       30.22910 -18.25000      36.08967 76.57000       55.33758 18.82863 8.635293 36.28522 12.66866 -17.45660      15.33177 
1 1 1 3   13 47 o 44.00746 4.549747 98.34447       19.31607 104.1787       24.19443 88.08900       32.07751 44.89192 5.629515 39.94195 8.467886 4.949970       10.16841 
1 1 1 3   13 48 o 65.36693 3.563498 213.4812       22.71408 223.4291       29.27686 198.4392       36.00077 66.46613 4.527079 61.85736 6.021998 4.608768       7.533850 
1 1 1 3   13 49 o 34.09160 5.528444 60.74862       17.81698 70.35982       22.60087 44.96921       28.95888 36.29582 6.604784 28.49522 9.155295 7.800594       11.28905 
1 1 1 3   13 50 o 61.92166 3.648729 192.2098       22.01715 223.8001       29.16373 150.3430       33.57386 66.42702 4.512088 53.32287 6.571382 13.10415       7.971323 
1 1 1 3   13 51 o 29.04940 6.646476 45.85414       18.48835 42.12677       21.66582 55.84000       35.46229 27.54820 7.724603 31.03797 10.14399 -3.489761      12.75030 
1 1 1 3   13 52 o 24.74603 6.828026 33.57399       17.07732 28.40669       21.52076 42.36054       28.06303 23.19503 7.909027 27.42673 9.027227 -4.231699      12.00181 
1 1 1 3   13 53 o 46.22139 5.009041 110.6039       22.30050 104.1731       24.96483 136.0000       49.61098 44.39113 5.890745 46.93248 10.99337 -2.541348      12.47217 
1 1 1 3   13 54 o 30.55307 6.348380 50.66333       18.36481 26.61772       23.53205 88.12334       29.37148 22.86141 8.233495 39.67772 7.840751 -16.81631      11.36960 
1 1 1 3   13 55 o 42.42900 4.831415 93.13625       19.70815 90.58004       25.85275 96.68275       30.45158 40.86975 6.694003 41.58738 7.766229 -0.7176285     10.25300 
1 1 1 3   13 56 o 33.94775 5.972366 61.80982       19.12128 60.17749       25.17773 64.03431       29.39190 32.48069 7.978080 33.03318 8.893904 -0.5524902     11.94786 
1 1 1 3   13 57 o 25.71017 7.148271 36.94864       18.63818 34.30120       25.12546 40.18797       27.79262 24.92297 8.544533 26.58945 8.988871 -1.666481      12.40197 
1 1 1 3   13 58 o 31.68897 6.323669 54.73909       18.92705 51.80132       26.20762 57.94172       27.36357 29.80208 8.543277 31.45166 8.629328 -1.649572      12.14302 
1 1 1 3   13 59 o 32.31739 6.288024 57.09490       19.17490 65.89412       27.05096 48.20868       27.18434 33.61317 8.277502 28.56499 8.830188 5.048183       12.10327 
1 1 1 3   13 60 o 17.15509 7.394094 3.713881       22.55014 -51.13000      32.45380 54.91000       31.35595 14.17479 6.942304 29.87572 9.519197 -15.70092      11.78180 
1 1 1 3   14 0  o 630.5037 11.74856 19527.38       725.0673 17840.00       1355.849 20203.20       858.0703 599.0615 23.16610 640.9047 13.67802 -41.84314      26.90272 
1 1 1 3   14 1  o 454.5055 9.868484 10136.35       439.0316 9959.000       750.2547 10228.70       541.4089 449.0305 17.10099 456.1090 12.13771 -7.078552      20.97064 
1 1 1 3   14 2  o 282.1538 6.370234 3900.507       175.9330 3764.000       296.9560 3974.335       218.3866 276.6593 10.98766 284.6239 7.846265 -7.964569      13.50158 
1 1 1 3   14 3  o 867.3643 18.61791 37166.22       1580.661 36320.00       2691.812 37611.58       1952.798 848.8349 32.45759 870.1534 22.94745 -21.31848      39.75023 
1 1 1 3   14 4  o 379.7233 7.211361 7066.971       268.0345 7061.186       378.4185 7072.795       379.7009 379.1596 10.20562 379.4679 10.23191 -0.3082886     14.45153 
1 1 1 3   14 5  o 443.3561 9.629629 9645.262       417.8963 9377.000       708.8455 9788.169       517.3677 435.7096 16.65131 446.1734 11.85699 -10.46384      20.44148 
1 1 1 3   14 6  o 197.7489 5.897852 1917.456       114.0325 2009.000       163.1401 1830.000       159.4555 202.2390 8.258555 192.9854 8.461861 9.253586       11.82399 
1 1 1 3   14 7  o 427.3095 9.309670 8959.526       389.3885 8459.000       648.2545 9242.061       487.0427 413.8492 16.03318 433.5520 11.48689 -19.70279      19.72337 
1 1 1 3   14 8  o 358.2156 6.826929 6289.235       239.3735 6501.295       346.2150 6095.022       331.3262 363.8027 9.731144 352.2589 9.618209 11.54379       13.68229 
1 1 1 3   14 9  o 350.2247 6.686777 6011.976       229.2291 5982.180       323.0382 6042.197       325.3318 348.9677 9.465940 350.7124 9.485671 -1.744690      13.40082 
1 1 1 3   14 10 o 255.6967 5.069826 3202.798       126.8891 3261.918       181.5372 3146.323       177.4299 257.8242 7.200474 253.2143 7.165875 4.609924       10.15857 
1 1 1 3   14 11 o 242.5822 4.848673 2882.680       115.1299 2922.497       164.1023 2844.086       161.5638 244.0412 6.876676 240.7438 6.863194 3.297455       9.715560 
1 1 1 3   14 12 o 282.5874 5.517625 3913.332       152.6199 3968.744       217.7347 3859.810       213.9884 284.2866 7.832116 280.3582 7.805372 3.928436       11.05739 
1 1 1 3   14 13 o 115.3735 3.436242 652.3961       38.76250 570.1000       61.27693 707.2959       50.04870 107.6863 5.835199 120.0898 4.264524 -12.40343      7.227428 
1 1 1 3   14 14 o 330.0042 7.346539 5344.486       237.3058 5628.087       299.9551 4870.000       387.9843 338.2847 9.066913 313.9225 12.65249 24.36212       15.56581 
1 1 1 3   14 15 o 109.8942 4.260268 592.5398       45.73981 592.5398       45.73981 0.000000       0.000000 109.8942 4.260268 ?        ?        ?              ?        
1 1 1 3   14 16 o 256.1495 5.912406 3218.096       148.2395 3303.000       261.4742 3177.880       179.9546 258.7307 10.34549 254.3058 7.236728 4.424896       12.62535 
1 1 1 3   14 17 o 158.9097 5.319833 1239.613       82.63079 1165.000       111.9246 1329.000       122.5062 153.8195 7.455954 164.2901 7.638904 -10.47052      10.67446 
1 1 1 3   14 18 o 254.9216 7.300392 3195.209       181.9749 2849.000       238.2511 3680.000       281.9309 240.1750 10.15740 272.9188 10.57366 -32.74377      14.66203 
1 1 1 3   14 19 o 213.5081 6.364092 2239.921       132.8532 2163.000       183.3232 2325.000       192.8005 209.3955 8.964995 217.0846 9.093600 -7.689102      12.76968 
1 1 1 3   14 20 o 203.7562 6.176620 2040.231       123.0456 1914.000       167.2925 2189.000       181.6139 196.9451 8.699576 210.6189 8.828965 -13.67384      12.39489 
1 1 1 3   14 21 o 342.3502 9.422647 5785.773       315.4543 6393.000       476.5012 5312.000       420.8952 358.2282 13.61410 326.6734 13.19009 31.55481       18.95580 
1 1 1 3   14 22 f 141.9363 7.234414 993.4000       100.1771 993.4000       100.1771 0.000000       0.000000 141.9363 7.234414 ?        ?        ?              ?        
1 1 1 3   14 23 o 73.91969 5.437371 269.6513       39.06659 268.3000       52.69875 271.3000       58.20819 73.46945 7.430041 73.76055 8.200674 -0.2910995     11.06601 
1 1 1 3   14 24 o 172.5364 3.791583 1459.144       64.03354 1469.247       73.14458 1426.000       132.4839 173.0937 4.317126 169.9387 7.986957 3.154984       9.079045 
1 1 1 3   14 25 o 342.3673 7.616880 5774.320       255.2558 6151.320       324.3543 5161.000       413.7071 352.6432 9.405150 321.3390 13.18094 31.30426       16.19240 
1 1 1 3   14 26 o 181.0372 5.616081 1611.780       99.39895 1703.000       139.6090 1518.000       141.5539 185.7074 7.696980 175.1882 8.278298 10.51921       11.30370 
1 1 1 3   14 27 o 122.8079 3.797372 740.2426       45.59251 721.4484       52.89034 794.6000       89.94829 121.1703 4.467019 126.7689 7.279540 -5.598549      8.540841 
1 1 1 3   14 28 o 313.3857 6.096278 4833.175       187.0037 4907.980       217.3519 4620.000       366.9149 315.5127 7.037856 303.5659 12.37421 11.94681       14.23560 
1 1 1 3   14 29 o 103.6334 3.891288 527.6874       39.40280 582.7587       47.62520 408.2000       70.15118 108.8474 4.479626 90.50385 8.001175 18.34351       9.169833 
1 1 1 3   14 30 o 104.5623 3.148243 536.5817       32.18510 557.8452       36.09609 454.1000       71.09203 106.5850 3.464458 95.49479 7.670083 11.09018       8.416213 
1 1 1 3   14 31 o 137.3612 3.386519 925.7906       45.53276 934.0557       51.55820 896.5000       97.05943 137.8723 3.824145 134.3275 7.410588 3.544769       8.339118 
1 1 1 3   14 32 o 166.3552 4.430550 1362.207       72.07977 1400.394       88.50731 1287.000       124.2084 168.4461 5.374874 160.6828 7.921659 7.763245       9.572980 
1 1 1 3   14 33 o 158.7197 3.657755 1237.945       56.82661 1261.167       65.14157 1164.000       116.2403 160.0529 4.161567 152.6230 7.806849 7.429932       8.846781 
1 1 1 3   14 34 o 84.04225 3.083715 347.3083       25.32451 334.3143       27.60021 416.5000       63.68940 82.40678 3.429204 91.14725 7.197034 -8.740471      7.972248 
1 1 1 3   14 35 o 53.79308 3.574809 142.9816       18.71606 143.1270       20.05471 142.0000       52.10088 53.78212 3.834694 51.82741 10.62726 1.954712       11.29794 
1 1 1 3   14 36 o 102.5648 3.222881 517.8514       32.31538 514.7130       35.83862 531.5000       74.73838 102.1820 3.588769 102.6172 7.492392 -0.4351883     8.307539 
1 1 1 3   14 37 o 87.71765 3.207494 379.1622       27.49331 379.5893       30.20659 377.1000       66.37349 87.70489 3.525800 85.98392 7.977223 1.720970       8.721660 
1 1 1 3   14 38 o 79.83548 3.586409 314.9261       27.95450 314.9261       27.95450 0.000000       0.000000 79.83548 3.586409 ?        ?        ?              ?        
1 1 1 3   14 39 o 88.60111 3.282761 387.4083       28.42059 391.8081       31.18007 365.8000       69.09888 89.03267 3.585177 84.12952 8.507853 4.903152       9.232391 
1 1 1 3   14 40 o 101.7566 4.590072 515.2599       45.60043 491.0000       55.52924 565.5000       79.91026 98.85786 5.763576 104.9982 7.831662 -6.140350      9.723874 
1 1 1 3   14 41 o 65.57721 4.881175 215.3897       31.10696 206.5000       35.55504 244.4000       64.22929 63.92212 5.743734 67.58031 10.01215 -3.658184      11.54268 
1 1 1 3   14 42 o 47.92446 5.529661 116.6363       25.46442 116.6363       25.46442 0.000000       0.000000 47.92446 5.529661 ?        ?        ?              ?        
1 1 1 3   14 43 o 52.76730 4.266348 139.4601       21.84797 132.1018       23.34431 191.4000       62.02188 51.21930 4.708967 58.44972 11.24892 -7.230423      12.19478 
1 1 1 3   14 44 o 57.36137 5.440984 167.4517       30.18416 166.4092       34.44567 170.9000       62.64925 56.81776 6.299331 54.19983 12.11403 2.617931       13.65398 
1 1 1 3   14 45 o 22.93292 8.336883 24.53001       24.19893 19.00280       26.70142 49.94000       57.25107 22.11161 8.597175 32.12524 12.56053 -10.01364      15.22098 
1 1 1 3   14 46 o 32.02301 6.295791 54.34425       19.03040 56.42756       20.17229 37.49000       57.37637 32.55168 6.557986 30.17103 12.30777 2.380651       13.94591 
1 1 1 3   14 47 o 30.41508 5.846499 48.79655       16.77351 54.32664       20.58644 37.87423       28.93162 31.77918 6.822088 26.77866 9.169264 5.000521       11.42875 
1 1 1 3   14 48 f 31.15443 5.777470 51.16690       16.96972 43.16858       21.09754 65.82494       28.56080 28.06581 7.525876 34.27735 8.543233 -6.211546      11.38533 
1 1 1 3   14 49 o 25.85229 6.635397 36.21312       16.87423 32.27802       20.97877 43.42484       28.40021 24.50559 7.783771 27.99573 9.072860 -3.490131      11.95424 
1 1 1 3   14 50 o 56.49659 4.149041 161.4160       22.78435 171.7405       27.29692 137.7000       41.37146 57.94537 4.857359 49.44822 8.873648 8.497154       10.11610 
1 1 1 3   14 51 o 65.82927 3.530022 217.2558       22.66269 219.4527       29.64939 214.1687       35.14715 65.59689 4.647805 64.18751 5.651803 1.409378       7.317443 
1 1 1 3   14 52 o 40.72189 5.426145 86.81054       21.09066 82.19691       23.45453 106.3000       48.20648 39.16280 6.334697 40.96042 11.53548 -1.797619      13.16038 
1 1 1 3   14 53 o 20.25476 7.001833 20.83114       16.88327 32.81660       21.74204 2.627024       26.79523 24.44593 7.939641 18.47919 8.012459 5.966740       11.27995 
1 1 1 3   14 54 o 46.16287 4.438427 109.1964       19.80839 109.3204       26.02342 109.0257       30.54276 45.37448 6.006713 44.55336 7.252854 0.8211250      9.417245 
1 1 1 3   14 55 o 44.40070 4.650367 101.6071       19.91132 95.88888       25.89890 109.8722       31.13686 42.15789 6.483574 44.59501 7.391878 -2.437115      9.832425 
1 1 1 3   14 56 o 46.55554 4.523621 111.3608       20.35450 142.0487       27.64453 75.02576       30.08075 52.06408 5.507982 35.91418 8.658652 16.14989       10.26207 
1 1 1 3   14 57 o 27.55118 6.783661 42.18490       18.17028 41.28777       24.18003 43.34868       27.53987 26.83871 8.333222 27.37599 8.938867 -0.5372772     12.22072 
1 1 1 3   14 58 f 24.99432 7.060749 34.97546       18.03206 43.83295       24.35325 24.22599       26.82841 27.52017 8.329400 22.51778 8.654373 5.002394       12.01154 
1 1 1 3   14 59 o 16.79113 6.999426 6.859769       19.09961 16.43256       24.59785 -7.675000      30.30972 20.29191 8.136902 17.72418 8.045674 2.567728       11.44299 
1 1 1 3   14 60 o 30.71619 6.689542 52.82548       19.54172 55.57434       27.06658 49.83242       28.24329 30.39537 8.672151 28.69037 9.021051 1.705000       12.51342 
1 1 1 3   15 0  o 248.1535 7.044344 3020.715       170.9337 2723.000       225.3619 3424.000       262.2928 235.3363 9.804775 263.8993 10.17317 -28.56294      14.12894 
1 1 1 3   15 1  o 315.7348 7.046012 4886.169       217.7570 4611.000       361.8349 5042.420       272.6608 306.0354 12.10291 320.5012 8.699389 -14.46573      14.90502 
1 1 1 3   15 2  o 349.6235 6.694668 5990.561       229.1057 6021.000       458.0092 5980.402       264.5873 349.5435 13.41137 349.2471 7.739805 0.2963562      15.48449 
1 1 1 3   15 3  o 343.5457 6.583518 5783.953       221.3852 5883.132       316.8607 5689.364       309.4430 346.1173 9.361336 340.3736 9.296630 5.743774       13.19325 
1 1 1 3   15 4  o 414.8436 9.051585 8444.305       367.5490 8483.000       637.5006 8425.038       449.8412 414.4228 15.74422 413.9529 11.11207 0.4699707      19.27067 
1 1 1 3   15 5  o 323.7850 7.220220 5139.569       228.8302 5116.259       279.4593 5187.000       398.6358 322.7918 8.853198 324.4771 12.57503 -1.685333      15.37889 
1 1 1 3   15 6  o 352.7437 7.784344 6102.241       268.7741 6209.000       471.3037 6050.787       327.1940 354.8129 13.59564 350.9447 9.533731 3.868225       16.60522 
1 1 1 3   15 7  o 234.0988 4.726738 2684.253       108.3096 2649.745       152.1643 2719.691       154.2019 232.3993 6.696141 235.4491 6.697735 -3.049774      9.470901 
1 1 1 3   15 8  o 396.7448 7.512077 7720.333       291.7275 7806.328       415.6997 7636.883       409.5002 398.3706 10.67032 394.0283 10.62716 4.342255       15.05962 
1 1 1 3   15 9  f 112.7047 3.127264 622.3973       34.46615 646.0431       49.15392 599.5270       48.34123 114.7641 4.383742 110.5435 4.476902 4.220596       6.265768 
1 1 1 3   15 10 o 199.8736 4.179054 1956.675       81.75978 1934.064       115.0789 1979.721       116.1805 198.5508 5.927950 200.8838 5.915012 -2.332977      8.374244 
1 1 1 3   15 11 o 236.2757 5.466568 2736.042       126.4270 3106.000       235.4651 2586.185       149.8607 251.1973 9.594104 229.5385 6.677101 21.65877       11.68890 
1 1 1 3   15 12 o 318.2304 6.135917 4965.766       191.1293 5293.000       281.9148 4687.414       260.0077 328.1048 8.785979 308.7795 8.611041 19.32523       12.30217 
1 1 1 3   15 13 o 131.4168 3.857267 846.6558       49.56401 848.0002       59.18675 843.5000       90.68291 131.4742 4.606267 130.9088 7.103635 0.5654602      8.466365 
1 1 1 3   15 14 o 417.1812 7.895406 8549.640       322.4077 8903.484       468.3554 8230.941       444.4869 424.7585 11.27487 408.4333 11.12850 16.32520       15.84191 
1 1 1 3   15 15 o 279.6203 5.487968 3834.119       150.2057 3909.271       214.9557 3762.407       209.9777 281.9599 7.796010 276.6143 7.762866 5.345551       11.00181 
1 1 1 3   15 16 f 337.4755 7.535146 5596.049       248.9087 5441.000       421.8215 5678.876       308.3056 331.2178 13.03640 339.4912 9.286558 -8.273346      16.00587 
1 1 1 3   15 17 o 78.46230 5.263678 303.2672       40.19173 255.2000       53.45156 365.8000       60.96631 71.64009 7.745530 85.97669 7.313766 -14.33660      10.65291 
1 1 1 3   15 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   15 19 o 312.6075 8.670988 4817.186       265.0663 4986.000       383.0021 4662.000       367.2168 316.8765 12.37201 306.4296 12.26773 10.44684       17.42309 
1 1 1 3   15 20 o 192.3096 8.392163 1825.000       157.5920 1825.000       157.5920 0.000000       0.000000 192.3096 8.392163 ?        ?        ?              ?        
1 1 1 3   15 21 o 167.8546 7.815210 1390.000       128.0520 1390.000       128.0520 0.000000       0.000000 167.8546 7.815210 ?        ?        ?              ?        
1 1 1 3   15 22 o 338.8145 9.349298 5672.328       309.7646 6114.000       460.0476 5306.000       418.9742 349.9986 13.45364 326.1603 13.15047 23.83832       18.81317 
1 1 1 3   15 23 o 210.0467 9.035500 2182.000       185.3350 0.000000       0.000000 2182.000       185.3350 ?        ?        210.0467 9.035500 ?              ?        
1 1 1 3   15 24 f 308.1698 12.29900 4735.000       370.2480 0.000000       0.000000 4735.000       370.2480 ?        ?        308.1698 12.29900 ?              ?        
1 1 1 3   15 25 o 101.5776 5.087265 507.8472       50.42016 499.0000       68.51200 518.3000       74.46973 100.4302 7.013492 102.2873 7.489849 -1.857109      10.26094 
1 1 1 3   15 26 o 179.6567 5.805911 1588.398       101.9646 1682.000       147.6227 1503.000       141.0043 184.3821 8.200036 174.2540 8.290695 10.12814       11.66088 
1 1 1 3   15 27 o 245.3373 7.169670 2970.666       171.9898 2800.000       233.7843 3172.000       253.9225 237.2039 10.09209 252.4099 10.29916 -15.20602      14.41953 
1 1 1 3   15 28 o 136.1319 4.060312 910.2436       54.04303 959.5587       65.74578 807.5000       94.89765 139.6734 4.816128 127.6168 7.631853 12.05666       9.024426 
1 1 1 3   15 29 o 290.0877 5.706765 4143.540       162.0412 4222.500       188.7218 3922.000       316.1137 292.5433 6.590611 279.3784 11.58478 13.16495       13.32829 
1 1 1 3   15 30 o 119.2936 3.166231 698.4892       36.93874 690.0283       41.04944 734.5000       84.68700 118.5255 3.542230 121.6305 7.144713 -3.105011      7.974605 
1 1 1 3   15 31 o 170.7881 3.788263 1432.684       63.32918 1454.157       72.55614 1364.000       129.7665 171.9183 4.315084 165.4236 8.038237 6.494644       9.123223 
1 1 1 3   15 32 o 144.7394 3.445675 1028.896       48.81657 1021.635       54.96820 1056.000       106.1981 144.1048 3.900554 145.5087 7.481388 -1.403854      8.437150 
1 1 1 3   15 33 o 126.4598 3.245706 786.0300       40.14291 762.0123       44.41768 893.1000       93.78305 124.4409 3.650532 133.7159 7.191772 -9.275040      8.065232 
1 1 1 3   15 34 o 72.58424 3.017625 259.2211       21.39270 251.9293       22.98325 306.5000       58.52338 71.51800 3.291973 77.84548 7.784820 -6.327484      8.452249 
1 1 1 3   15 35 o 84.70477 3.085238 353.1126       25.53740 363.5519       28.02420 302.0000       62.01012 85.90880 3.339006 76.94308 8.368184 8.965721       9.009743 
1 1 1 3   15 36 o 142.6137 3.468976 1001.656       48.42492 974.7875       53.77012 1117.000       111.4071 140.5154 3.913216 148.6199 7.684347 -8.104431      8.623366 
1 1 1 3   15 37 o 75.37993 3.444983 280.5574       25.35126 280.5574       25.35126 0.000000       0.000000 75.37993 3.444983 ?        ?        ?              ?        
1 1 1 3   15 38 o 74.57056 3.266397 274.5062       23.78416 287.2271       25.95309 207.8000       59.43106 76.23686 3.487140 62.55617 10.04593 13.68069       10.63394 
1 1 1 3   15 39 o 44.42779 4.494750 98.90028       19.27780 94.76834       20.60989 127.8000       54.50622 43.37461 4.942461 48.00861 11.70611 -4.634007      12.70673 
1 1 1 3   15 40 o 100.8772 3.806483 504.0180       37.51830 487.5618       42.73920 559.3000       78.33463 99.00928 4.421210 104.3973 7.720443 -5.388054      8.896760 
1 1 1 3   15 41 o 59.81825 3.676870 177.6748       21.42469 175.9625       22.82065 190.4000       62.21167 59.46438 3.942981 58.72444 11.23213 0.7399406      11.90411 
1 1 1 3   15 42 o 50.23088 4.110158 126.1385       20.03202 118.2761       21.22573 190.2000       60.58788 48.52184 4.521120 58.59144 10.96741 -10.06960      11.86274 
1 1 1 3   15 43 o 68.67245 3.947431 235.1830       26.42223 235.1830       26.42223 0.000000       0.000000 68.67245 3.947431 ?        ?        ?              ?        
1 1 1 3   15 44 o 34.24503 6.385633 61.75743       20.61742 53.18131       21.91715 127.7000       60.77452 31.44864 7.266004 45.93960 12.95726 -14.49096      14.85548 
1 1 1 3   15 45 o 44.49686 5.178706 101.3916       22.13473 108.4604       23.86854 57.97000       59.15676 45.94984 5.410420 33.36160 12.84356 12.58824       13.93663 
1 1 1 3   15 46 o 19.10520 7.479780 13.21055       20.32465 13.02000       21.81953 14.46000       55.87226 19.46422 7.710038 26.91968 11.62101 -7.455458      13.94606 
1 1 1 3   15 47 o 27.78866 7.901952 42.43058       22.50959 46.78000       35.36937 39.46976       29.18218 29.27311 10.13364 27.13905 9.210566 2.134058       13.69399 
1 1 1 3   15 48 o 28.31606 7.942304 44.32626       22.90060 47.38000       37.20837 42.46412       29.05574 29.42111 10.37918 27.82654 9.186729 1.594568       13.86086 
1 1 1 3   15 49 o 24.22665 8.591558 29.97558       25.52253 18.26000       37.69799 39.89000       34.67928 23.86483 9.880925 27.49265 9.982309 -3.627817      14.04561 
1 1 1 3   15 50 o 51.66040 3.889181 134.6068       19.52187 131.8064       24.73772 139.2298       31.78445 50.60468 5.062036 51.25186 6.480383 -0.6471825     8.223112 
1 1 1 3   15 51 o 52.41360 4.649025 140.6889       23.60415 141.5145       26.48417 137.5000       52.04855 52.25625 5.248765 46.97015 11.43071 5.286098       12.57818 
1 1 1 3   15 52 o 20.16308 6.979612 20.58758       16.77862 11.14114       21.45293 35.46891       26.92608 18.62491 7.552481 25.48132 8.840666 -6.856401      11.62744 
1 1 1 3   15 53 o 32.98714 5.765902 57.96794       17.93996 57.25479       23.05242 59.06313       28.56744 31.97132 7.497077 31.84503 8.848277 0.1262875      11.59733 
1 1 1 3   15 54 o 42.48185 4.690034 93.13213       19.17803 89.24323       24.95377 98.74359       29.97508 40.65870 6.488058 42.15800 7.540819 -1.499310      9.947806 
1 1 1 3   15 55 o 49.60178 4.215621 125.5252       20.27379 104.6867       26.36404 155.6803       31.71467 44.19648 6.269994 54.14537 6.089461 -9.948891      8.740387 
1 1 1 3   15 56 o 19.77238 7.172532 18.98783       17.89858 22.04063       23.56769 14.82752       27.51253 21.57742 8.154759 20.76371 8.502650 0.8137112      11.78114 
1 1 1 3   15 57 o 45.39112 4.643874 106.3816       20.34229 94.13327       27.16963 122.0067       30.68712 41.38665 6.953139 47.30658 6.824251 -5.919933      9.742512 
1 1 1 3   15 58 o 35.50360 6.338391 68.73603       21.21887 89.86707       26.46208 30.68000       35.51201 40.31372 6.957371 24.89860 9.844466 15.41512       12.05481 
1 1 1 3   15 59 o 48.16605 4.483696 119.9239       20.89617 152.6496       29.30383 86.06725       29.80585 53.57186 5.674496 38.43988 8.173439 15.13197       9.950127 
1 1 1 3   15 60 o 18.26633 7.105047 14.31861       18.24305 -0.8058401     25.86312 29.29531       25.73649 17.28110 7.668723 23.23344 8.572974 -5.952341      11.50240 
1 1 1 3   16 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   16 1  o 237.2520 5.543532 2757.940       128.7368 2589.000       213.4008 2854.598       161.4168 229.4234 9.523520 241.2060 6.843742 -11.78267      11.72750 
1 1 1 3   16 2  o 150.0359 3.550589 1102.224       52.14368 1125.000       103.6404 1094.505       60.33642 151.3135 7.016639 149.4404 4.128781 1.873123       8.141256 
1 1 1 3   16 3  o 217.6022 6.353162 2322.929       135.1743 2425.000       194.7276 2228.000       187.7918 222.0771 8.976632 212.8438 9.034382 9.233276       12.73578 
1 1 1 3   16 4  o 203.4683 6.057244 2030.837       120.5020 1964.000       166.1543 2105.000       175.0225 199.8612 8.512805 206.9072 8.661108 -7.046036      12.14424 
1 1 1 3   16 5  o 353.1357 6.750465 6114.519       233.3359 6283.249       335.7592 5956.913       324.5022 357.5096 9.603452 348.1065 9.532532 9.403137       13.53128 
1 1 1 3   16 6  o 288.3216 5.625671 4073.892       158.7661 4182.476       228.1940 3972.015       221.0354 291.8319 7.996036 284.3950 7.948036 7.436890       11.27421 
1 1 1 3   16 7  o 323.7389 6.235254 5138.192       197.5856 5189.931       281.2760 5087.792       277.6163 324.9632 8.851094 321.7515 8.823247 3.211731       12.49766 
1 1 1 3   16 8  o 557.2643 10.41600 15275.07       568.1569 15477.27       811.0662 15080.26       796.1324 559.3117 14.82789 552.1199 14.74465 7.191772       20.91103 
1 1 1 3   16 9  o 291.3506 5.676924 4160.970       161.8957 4168.348       229.5163 4153.664       228.3979 291.2652 8.058166 290.7549 8.032954 0.5103149      11.37815 
1 1 1 3   16 10 o 269.2898 7.512030 3562.322       197.8149 3353.000       271.0140 3801.000       289.3947 260.7595 10.64042 277.6551 10.66811 -16.89566      15.06742 
1 1 1 3   16 11 o 260.8061 5.154404 3333.961       131.5838 3495.124       191.8369 3190.768       180.8260 266.7287 7.354799 254.8548 7.256117 11.87395       10.33171 
1 1 1 3   16 12 o 184.2107 3.932747 1662.310       70.91157 1784.322       104.4342 1557.933       96.59242 190.6782 5.601531 178.1657 5.545516 12.51250       7.882252 
1 1 1 3   16 13 o 146.3764 4.759958 1051.269       68.10870 1081.000       102.7894 1028.000       90.93654 148.2076 7.106222 144.5930 6.441342 3.614563       9.591105 
1 1 1 3   16 14 o 166.4341 3.672171 1356.959       59.82344 1451.157       87.67113 1274.883       81.83617 171.9537 5.214841 161.1636 5.194453 10.79010       7.360496 
1 1 1 3   16 15 o 144.8185 3.387894 1027.278       48.02418 1088.736       69.91460 972.3763       66.08037 148.9476 4.801710 140.7545 4.803310 8.193115       6.791775 
1 1 1 3   16 16 o 114.0115 4.196733 637.8940       46.75463 769.9000       79.35332 567.7000       57.86533 125.0523 6.505236 107.4344 5.521127 17.61781       8.532347 
1 1 1 3   16 17 o 194.0953 5.967067 1850.947       113.2312 1907.000       161.6890 1797.000       158.6212 196.6408 8.419904 190.8585 8.512118 5.782303       11.97293 
1 1 1 3   16 18 o 170.9475 5.542740 1435.596       92.62306 1443.000       130.1608 1428.000       131.8328 171.0765 7.793382 170.1598 7.937036 0.9166260      11.12355 
1 1 1 3   16 19 o 203.5916 8.783481 2047.000       174.6264 2047.000       174.6264 0.000000       0.000000 203.5916 8.783481 ?        ?        ?              ?        
1 1 1 3   16 20 o 188.9738 8.320172 1763.000       153.5233 1763.000       153.5233 0.000000       0.000000 188.9738 8.320172 ?        ?        ?              ?        
1 1 1 3   16 21 o 53.21565 7.050531 141.7020       35.82273 126.4000       48.72694 159.7000       52.84529 49.64285 10.36306 56.01529 10.00533 -6.372448      14.40484 
1 1 1 3   16 22 o 148.7950 7.551506 1093.000       109.6240 0.000000       0.000000 1093.000       109.6240 ?        ?        148.7950 7.551506 ?              ?        
1 1 1 3   16 23 o 201.7083 8.849408 2013.000       174.2954 0.000000       0.000000 2013.000       174.2954 ?        ?        201.7083 8.849408 ?              ?        
1 1 1 3   16 24 o 184.7252 5.902166 1679.000       106.5825 1679.000       150.0363 1679.000       151.4342 184.2369 8.341451 184.2184 8.420441 0.1850891E-01  11.85258 
1 1 1 3   16 25 o 235.4146 6.947439 2732.277       159.9149 2661.000       222.1048 2809.000       230.4328 231.4771 9.824998 237.8042 9.921412 -6.327072      13.96299 
1 1 1 3   16 26 o 265.1321 7.632736 3472.934       197.8776 3410.000       275.4961 3540.000       284.3985 261.4972 10.78638 266.3766 10.93072 -4.879456      15.35664 
1 1 1 3   16 27 o 121.3274 5.230617 725.0132       61.97214 741.2000       88.01761 709.1000       87.27084 122.2968 7.387169 119.5880 7.493134 2.708763       10.52223 
1 1 1 3   16 28 o 167.8338 5.694205 1388.477       93.40915 1528.000       138.8073 1273.000       126.2805 175.4447 8.104772 160.1106 8.083830 15.33408       11.44708 
1 1 1 3   16 29 o 184.0756 5.931352 1672.545       106.7306 1905.000       162.1911 1495.000       141.7460 195.6071 8.491257 173.2800 8.381974 22.32710       11.93143 
1 1 1 3   16 30 f 125.9453 5.146217 782.6910       63.30829 813.9000       90.90541 753.3000       88.21794 127.9183 7.290424 123.0298 7.359187 4.888519       10.35895 
1 1 1 3   16 31 o 166.6241 5.637040 1372.806       91.80566 1331.000       128.0663 1417.000       131.6745 163.2044 8.041482 168.4193 8.010326 -5.214935      11.35036 
1 1 1 3   16 32 o 100.1847 5.192870 496.9878       50.74936 513.8000       71.68999 480.1000       71.85114 101.3119 7.277715 97.82887 7.562105 3.483032       10.49526 
1 1 1 3   16 33 o 98.14265 5.228764 477.7026       50.04869 518.5000       71.77859 439.1000       69.82108 101.6515 7.261811 93.35522 7.709516 8.296288       10.59106 
1 1 1 3   16 34 o 101.2705 3.034921 504.4009       30.05012 502.4079       32.93656 514.3000       73.40382 101.0186 3.335543 101.0255 7.476010 -0.6858826E-02 8.186365 
1 1 1 3   16 35 o 143.7838 3.456809 1017.906       48.65097 1013.834       54.45784 1034.000       108.2762 143.3316 3.885195 143.0016 7.764584 0.3300629      8.682367 
1 1 1 3   16 36 o 68.33854 3.288876 230.4818       21.93525 230.4818       21.93525 0.000000       0.000000 68.33854 3.288876 ?        ?        ?              ?        
1 1 1 3   16 37 o 68.47250 3.140377 231.3286       20.99164 241.5111       22.54766 165.1000       57.50411 69.93667 3.303082 55.24675 11.02033 14.68991       11.50469 
1 1 1 3   16 38 o 66.19671 3.460410 216.7678       22.34393 203.1863       23.96485 307.1000       61.80472 64.00327 3.843009 77.04904 8.327131 -13.04578      9.171142 
1 1 1 3   16 39 o 62.89458 3.261086 195.5980       20.00764 179.2016       21.05710 347.9000       64.17664 60.12627 3.594305 82.04931 8.096300 -21.92303      8.858279 
1 1 1 3   16 40 o 93.63757 3.157429 432.9812       28.89803 411.4045       31.01999 574.7000       79.49923 91.18372 3.481905 105.6442 7.741712 -14.46048      8.488684 
1 1 1 3   16 41 o 70.85113 3.270010 248.4320       22.61670 238.0939       24.04285 327.9000       66.65953 69.28755 3.556972 78.91274 8.778369 -9.625191      9.471632 
1 1 1 3   16 42 o 90.34130 3.282750 404.1382       28.98062 386.2719       31.17152 518.0000       78.69173 88.20885 3.617948 99.44283 8.156035 -11.23398      8.922469 
1 1 1 3   16 43 o 66.87296 3.525630 222.4525       22.99622 222.8646       24.45315 219.3000       67.63280 66.86415 3.751286 61.88112 11.59174 4.983032       12.18362 
1 1 1 3   16 44 o 30.85231 5.867149 49.99992       17.07091 49.99992       17.07091 0.000000       0.000000 30.85231 5.867149 ?        ?        ?              ?        
1 1 1 3   16 45 o 36.52473 4.930515 68.46943       17.17752 63.00563       17.93850 128.8000       59.60838 34.84047 5.437650 45.66119 12.81604 -10.82073      13.92189 
1 1 1 3   16 46 o 62.52973 3.559048 195.3627       21.69349 184.2513       22.97791 286.5000       65.80706 60.59703 3.894560 71.59047 9.635398 -10.99343      10.39271 
1 1 1 3   16 47 o 23.80248 6.556890 30.44372       15.76254 31.59991       18.73548 27.64280       29.16090 24.24113 7.299047 24.27001 9.092691 -0.2888107E-01 11.65989 
1 1 1 3   16 48 f 58.47506 4.638727 174.0004       26.33328 186.2000       33.25814 153.5000       43.11272 59.90873 5.741743 52.49878 8.693775 7.409946       10.41870 
1 1 1 3   16 49 o 26.09643 7.208057 37.41535       19.02022 46.32000       25.25367 25.74264       28.91359 28.68401 8.434765 23.62219 9.007881 5.061817       12.34047 
1 1 1 3   16 50 o 42.27793 6.455028 95.51427       25.86725 108.9000       30.10876 57.79000       50.54546 44.82095 7.099134 31.61109 11.94342 13.20986       13.89399 
1 1 1 3   16 51 o 78.12830 3.902643 307.9858       29.75064 344.2000       45.82613 281.6032       39.11408 81.16078 5.806839 73.64640 5.464889 7.514381       7.973982 
1 1 1 3   16 52 o 26.65852 8.984901 39.98064       27.76795 0.000000       0.000000 39.98064       27.76795 ?        ?        26.65852 8.984901 ?              ?        
1 1 1 3   16 53 o 52.39704 5.009575 142.1278       25.38048 92.90000       39.07545 178.0519       33.38042 39.04963 10.13580 58.06599 5.957442 -19.01636      11.75693 
1 1 1 3   16 54 o 58.65709 4.692045 176.8703       26.71500 216.6000       43.23463 152.3322       33.97771 63.07752 7.127146 53.13478 6.680240 9.942745       9.768409 
1 1 1 3   16 55 o 50.50435 5.116014 132.6339       24.94256 161.9000       41.18892 115.6872       31.34291 53.66636 8.092374 45.84980 7.222570 7.816559       10.84675 
1 1 1 3   16 56 o 25.35121 8.023528 36.29831       22.30844 84.36000       37.10827 9.098104       27.91626 37.03691 10.00274 19.74395 8.359711 17.29297       13.03609 
1 1 1 3   16 57 f 47.47821 4.973318 117.2986       22.76994 111.3342       27.67362 129.8000       40.06488 45.38742 6.407089 47.03712 9.030188 -1.649700      11.07227 
1 1 1 3   16 58 o 65.87452 3.752342 219.9933       24.09495 231.1875       33.18487 207.5114       35.04171 66.55070 5.133923 62.50719 5.793201 4.043507       7.740694 
1 1 1 3   16 59 f 23.79526 7.230479 32.13064       18.32620 30.66766       25.38019 33.72433       26.48973 23.59812 8.543752 24.44152 8.743733 -0.8434010     12.22492 
1 1 1 3   17 0  o 104.1931 3.731856 532.3329       37.99865 471.9000       62.33276 568.0731       47.93562 97.88254 6.543446 107.5898 4.562135 -9.707214      7.976826 
1 1 1 3   17 1  o 370.8988 10.03491 6768.332       363.9785 6537.000       501.8801 7025.000       528.6492 363.5576 14.13020 376.8394 14.35821 -13.28183      20.14499 
1 1 1 3   17 2  o 406.1248 10.92381 8122.277       433.8559 8045.000       608.8409 8202.000       618.4005 402.9438 15.46536 406.8323 15.55784 -3.888489      21.93681 
1 1 1 3   17 3  o 596.4604 12.89957 17547.13       753.1179 17350.00       1292.466 17648.48       926.6993 588.0864 22.49434 596.7917 15.87800 -8.705322      27.53373 
1 1 1 3   17 4  o 280.4347 5.505139 3854.509       151.1146 3710.344       207.7059 4016.632       220.2630 274.8397 7.728489 285.9474 7.877040 -11.10779      11.03528 
1 1 1 3   17 5  o 308.4945 5.980786 4665.904       180.5976 4925.947       264.1495 4437.660       247.4725 316.5728 8.532300 300.4781 8.422412 16.09473       11.98904 
1 1 1 3   17 6  o 287.3484 5.617219 4047.567       157.9925 3981.002       220.6133 4117.651       226.3680 284.6395 7.925989 289.4768 7.996707 -4.837372      11.25916 
1 1 1 3   17 7  o 453.5512 8.542674 10107.01       379.2507 10026.33       533.7209 10189.28       539.0010 450.6946 12.10931 454.3379 12.13091 -3.643250      17.14043 
1 1 1 3   17 8  o 198.7753 4.167601 1935.647       81.08768 1970.681       115.8253 1901.970       113.5589 200.3804 5.911764 196.8541 5.900120 3.526291       8.352267 
1 1 1 3   17 9  o 210.6744 4.349966 2174.644       89.70233 2253.469       129.4854 2101.907       124.3848 214.2474 6.180920 206.9144 6.148262 7.332932       8.718079 
1 1 1 3   17 10 o 133.2737 3.291300 869.8846       42.93567 965.5248       63.38374 788.7862       58.36650 140.2868 4.622192 126.7768 4.711660 13.51007       6.600334 
1 1 1 3   17 11 o 194.1994 5.772276 1851.473       109.6021 1794.000       154.9649 1909.000       155.0366 190.8392 8.315788 196.9095 8.060843 -6.070358      11.58143 
1 1 1 3   17 12 o 178.8145 3.862079 1566.526       67.59743 1706.800       100.2336 1449.505       91.54992 186.4680 5.497650 171.8309 5.450045 14.63708       7.741262 
1 1 1 3   17 13 o 307.9850 5.970234 4654.483       179.9812 4930.385       264.3554 4416.094       245.7279 316.4359 8.542673 299.4976 8.390409 16.93829       11.97398 
1 1 1 3   17 14 o 194.0750 4.095429 1845.766       77.79923 2011.924       115.6831 1708.560       105.1229 202.4031 5.845233 186.5159 5.764970 15.88716       8.209849 
1 1 1 3   17 15 o 253.9959 5.807989 3166.132       144.3972 3401.461       186.0870 2810.000       228.9203 262.9677 7.236366 238.4755 9.828015 24.49217       12.20471 
1 1 1 3   17 16 o 119.5506 4.295454 701.5141       50.18344 808.8000       83.30301 640.4000       62.87242 128.1334 6.664807 114.0924 5.647405 14.04093       8.735722 
1 1 1 3   17 17 o 133.3093 4.997509 872.9650       65.09546 791.5000       87.23916 975.3000       97.77724 126.6870 7.063110 140.6611 7.124826 -13.97412      10.03248 
1 1 1 3   17 18 o 142.9074 7.194523 1007.000       100.3145 1007.000       100.3145 0.000000       0.000000 142.9074 7.194523 ?        ?        ?              ?        
1 1 1 3   17 19 o 235.3699 9.768528 2742.000       224.5646 2742.000       224.5646 0.000000       0.000000 235.3699 9.768528 ?        ?        ?              ?        
1 1 1 3   17 20 o 181.2709 5.792419 1615.508       102.6447 1588.000       142.6996 1645.000       147.7553 179.3199 8.151269 182.4876 8.293545 -3.167694      11.62867 
1 1 1 3   17 21 f 92.88818 7.564402 427.7000       68.18181 0.000000       0.000000 427.7000       68.18181 ?        ?        92.88818 7.564402 ?              ?        
1 1 1 3   17 22 o 164.7305 7.938446 1341.000       127.6249 0.000000       0.000000 1341.000       127.6249 ?        ?        164.7305 7.938446 ?              ?        
1 1 1 3   17 23 o 195.4342 6.103800 1880.025       116.6204 1969.000       168.3831 1798.000       161.6736 199.4432 8.645812 190.5583 8.690601 8.884888       12.25874 
1 1 1 3   17 24 o 263.6934 7.596062 3432.674       195.8579 3070.000       256.4822 3940.000       303.3490 248.3525 10.57493 281.1964 11.04261 -32.84384      15.28949 
1 1 1 3   17 25 o 174.6848 5.771274 1502.577       98.54544 1535.000       140.2956 1471.000       138.4513 176.0294 8.164640 172.2953 8.233336 3.734131       11.59522 
1 1 1 3   17 26 o 165.9966 5.675375 1357.398       92.07905 1380.000       130.5166 1335.000       129.9243 166.8389 8.015572 164.0635 8.115631 2.775406       11.40670 
1 1 1 3   17 27 o 254.2372 7.419493 3198.749       184.4398 3523.000       276.8532 2940.000       247.3138 265.2671 10.68438 242.4111 10.44745 22.85606       14.94340 
1 1 1 3   17 28 o 57.67121 7.059930 166.8927       39.02330 168.2000       55.34360 165.6000       55.03227 57.16405 10.26834 56.70368 10.29419 0.4603729      14.53992 
1 1 1 3   17 29 o 137.5141 5.277851 933.2263       70.90939 902.4000       98.63474 966.2000       102.0126 134.6474 7.513663 139.3415 7.507122 -4.694138      10.62130 
1 1 1 3   17 30 o 95.64732 5.313345 452.7252       49.54924 535.7000       73.07232 382.1000       67.41543 103.5994 7.251713 87.21857 7.985184 16.38086       10.78659 
1 1 1 3   17 31 o 84.63960 5.472373 355.5512       45.09428 422.3000       65.05045 293.8000       62.56787 91.80197 7.299283 76.11403 8.545509 15.68794       11.23856 
1 1 1 3   17 32 f 117.4351 5.188338 683.1880       59.49205 722.5000       85.32732 646.0000       82.99029 120.0770 7.294162 113.4364 7.516664 6.640625       10.47402 
1 1 1 3   17 33 o 83.86295 5.536041 350.2242       45.18971 307.3000       61.72704 399.8000       66.33756 77.70924 8.240604 88.94225 7.695462 -11.23300      11.27509 
1 1 1 3   17 34 o 105.1714 7.379385 558.4000       75.48470 558.4000       75.48470 0.000000       0.000000 105.1714 7.379385 ?        ?        ?              ?        
1 1 1 3   17 35 o 123.1246 7.434530 767.4000       89.18183 767.4000       89.18183 0.000000       0.000000 123.1246 7.434530 ?        ?        ?              ?        
1 1 1 3   17 36 o 129.2140 5.247902 832.1649       66.23642 850.8000       93.38668 813.3000       93.96085 129.5134 7.397311 126.4802 7.625000 3.033257       10.62360 
1 1 1 3   17 37 o 61.16390 10.01055 199.3000       57.86071 0.000000       0.000000 199.3000       57.86071 ?        ?        61.16390 10.01055 ?              ?        
1 1 1 3   17 38 o 58.27111 7.300362 174.8757       40.72803 135.4000       54.45320 225.0000       61.35958 49.45134 11.47216 64.93737 9.971682 -15.48603      15.20016 
1 1 1 3   17 39 o 64.45703 6.857654 212.8086       42.60312 255.7000       58.31181 163.7000       62.39507 69.81519 8.722774 53.98536 12.10702 15.82983       14.92202 
1 1 1 3   17 40 o 97.01266 5.532053 473.8308       52.31389 460.0000       71.25794 490.0000       77.04671 94.30750 7.788734 97.08465 8.183827 -2.777153      11.29776 
1 1 1 3   17 41 o 57.11220 3.293136 161.7893       18.33155 161.0191       19.13382 170.4000       63.97747 56.93901 3.449270 54.40337 12.30348 2.535645       12.77784 
1 1 1 3   17 42 o 54.19452 3.419045 146.0899       18.04460 141.3972       18.75785 204.3000       66.06488 53.26188 3.619497 59.69744 11.72454 -6.435566      12.27052 
1 1 1 3   17 43 o 48.88727 3.698598 119.5393       17.56731 120.7938       18.26706 104.1000       64.08437 49.10648 3.830638 41.22184 13.64473 7.884640       14.17224 
1 1 1 3   17 44 f 25.91823 5.913507 35.62370       14.66975 32.55126       15.13796 83.00000       59.44373 24.70542 6.254870 37.32950 13.12307 -12.62408      14.53748 
1 1 1 3   17 45 o 42.23139 4.420361 90.56208       18.00219 90.56208       18.00219 0.000000       0.000000 42.23139 4.420361 ?        ?        ?              ?        
1 1 1 3   17 46 f 52.36970 3.678502 137.5230       18.73640 144.6756       19.85151 79.17000       56.70148 53.67682 3.802961 36.14553 12.80704 17.53128       13.35974 
1 1 1 3   17 47 o 60.51389 3.572775 183.3186       21.06832 179.8846       23.69157 196.3000       46.06376 59.74230 4.075817 60.05996 8.037075 -0.3176651     9.011485 
1 1 1 3   17 48 o 45.18632 3.922824 103.1348       17.17876 106.9320       20.52608 94.25591       31.38703 45.73539 4.649657 41.22472 8.067311 4.510670       9.311328 
1 1 1 3   17 49 o 47.84189 4.328034 116.4372       20.04873 111.5023       21.68959 145.4000       52.54541 46.59695 4.825148 48.82080 11.22986 -2.223846      12.22260 
1 1 1 3   17 50 o 29.30722 5.766445 45.92695       15.95259 42.93670       19.04922 52.94781       29.18897 27.86372 6.995593 30.18745 9.115142 -2.323730      11.49018 
1 1 1 3   17 51 o 30.75753 5.548723 50.29842       16.09066 51.71543       19.39257 47.16707       28.82805 30.71984 6.642964 28.55574 9.130558 2.164099       11.29142 
1 1 1 3   17 52 o 25.54461 6.399872 35.72604       15.96721 26.17818       19.17229 57.33978       28.84604 22.21633 7.465723 31.30892 8.959116 -9.092587      11.66202 
1 1 1 3   17 53 o 20.69097 6.865444 22.51203       16.22139 35.73114       19.76666 -4.750783      28.38688 25.28207 7.469768 17.75104 7.945261 7.531029       10.90526 
1 1 1 3   17 54 o 42.55648 4.455916 93.10926       18.28647 81.81293       22.60133 114.5203       31.11602 39.05880 6.111888 45.62616 7.206264 -6.567364      9.449097 
1 1 1 3   17 55 o 30.33863 6.035865 49.83568       17.29343 48.54233       21.75872 52.05379       28.49492 29.26422 7.547096 29.72084 9.012914 -0.4566288     11.75548 
1 1 1 3   17 56 o 26.54173 7.201344 39.65716       19.18082 62.46181       22.96028 -13.02000      34.89608 33.37980 7.236343 18.43222 8.467441 14.94759       11.13832 
1 1 1 3   17 57 o 47.63693 4.337522 116.6329       20.00356 130.4264       26.35515 97.88827       30.72318 49.69550 5.510550 41.45832 7.858442 8.237179       9.597982 
1 1 1 3   17 58 o 37.69996 5.384212 75.61241       19.30497 81.57169       25.36949 67.41499       29.75452 38.16108 7.051486 33.37355 8.932374 4.787529       11.38028 
1 1 1 3   17 59 o 18.00965 6.965497 14.05138       17.45776 46.81308       24.09378 -22.16026      25.33063 28.04583 8.236549 14.32696 6.784353 13.71887       10.67090 
1 1 1 3   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 1  f 366.6023 9.937792 6618.542       356.2792 0.000000       0.000000 6618.542       356.2792 ?        ?        366.6023 9.937792 ?              ?        
1 1 1 3   18 2  o 203.5525 4.956134 2030.626       98.74741 1916.000       163.5342 2096.403       123.8817 197.2803 8.488598 206.6570 6.130999 -9.376724      10.47117 
1 1 1 3   18 3  o 280.6652 6.376083 3864.247       175.1656 4045.674       220.6440 3555.000       288.0680 286.8979 7.864453 268.3661 10.98957 18.53171       13.51371 
1 1 1 3   18 4  f 264.0176 5.223311 3416.932       134.9848 3513.933       194.1969 3326.254       187.7606 267.4188 7.426170 260.1803 7.380110 7.238525       10.46967 
1 1 1 3   18 5  o 224.0255 4.574552 2459.345       100.3118 2447.393       141.0443 2471.579       142.6948 223.2476 6.461297 224.3439 6.504988 -1.096237      9.168600 
1 1 1 3   18 6  o 250.1110 4.998843 3066.328       122.3794 2888.088       166.4130 3276.247       180.5971 242.4489 7.019695 258.2220 7.152038 -15.77313      10.02137 
1 1 1 3   18 7  o 133.6781 3.837986 876.1302       50.16722 921.8000       87.50848 853.7727       61.22758 136.8940 6.549695 131.8970 4.750241 4.996994       8.090939 
1 1 1 3   18 8  o 187.5060 4.011116 1722.576       73.61842 1743.349       104.8484 1702.376       103.3912 188.4443 5.690766 186.2158 5.678958 2.228500       8.039614 
1 1 1 3   18 9  o 200.2105 5.933938 1968.346       116.1600 1817.000       158.6996 2143.000       170.4827 192.0147 8.464545 208.5758 8.367437 -16.56110      11.90221 
1 1 1 3   18 10 o 97.56152 3.066599 466.6143       29.24840 498.5739       41.96723 436.4299       40.78506 100.7751 4.264161 94.26095 4.432834 6.514130       6.150860 
1 1 1 3   18 11 o 200.2463 5.909784 1969.358       115.7089 2155.000       175.2886 1826.000       154.0377 209.0842 8.583224 192.4984 8.193852 16.58585       11.86638 
1 1 1 3   18 12 o 206.8434 4.925937 2097.911       99.73250 2211.898       127.1972 1916.000       160.6872 212.1898 6.130591 197.1481 8.345761 15.04172       10.35548 
1 1 1 3   18 13 o 272.3963 5.366770 3640.137       143.0937 3634.199       202.4410 3646.066       202.2891 271.7395 7.618479 272.1868 7.600190 -0.4472961     10.76123 
1 1 1 3   18 14 o 78.70833 3.199670 303.9648       24.59947 298.4628       33.04895 310.8000       36.83619 77.90646 4.351180 79.46930 4.757313 -1.562843      6.447077 
1 1 1 3   18 15 o 237.0911 5.545287 2758.858       128.6902 2838.000       228.4478 2722.069       155.7548 239.5686 9.762513 235.2467 6.771172 4.321869       11.88089 
1 1 1 3   18 16 o 55.76703 3.634228 153.0437       19.72984 96.95000       44.96652 166.4173       21.95618 43.41907 10.66015 58.14153 3.880226 -14.72247      11.34438 
1 1 1 3   18 17 o 56.60046 8.738915 161.6000       46.85815 161.6000       46.85815 0.000000       0.000000 56.60046 8.738915 ?        ?        ?              ?        
1 1 1 3   18 18 o 224.1878 6.651673 2473.347       145.8037 2308.000       196.6975 2675.000       217.2220 215.9822 9.326083 232.4857 9.565991 -16.50356      13.35979 
1 1 1 3   18 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 20 o 155.4751 7.718450 1194.000       117.0947 0.000000       0.000000 1194.000       117.0947 ?        ?        155.4751 7.718450 ?              ?        
1 1 1 3   18 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   18 22 o 160.8611 5.517107 1273.015       86.74120 1274.000       121.7614 1272.000       123.6004 160.5155 7.772833 160.3625 7.898585 0.1529846      11.08172 
1 1 1 3   18 23 o 134.7675 5.262306 893.6775       69.28382 834.0000       94.32481 963.6000       102.1008 129.8273 7.453893 139.5713 7.501104 -9.744019      10.57483 
1 1 1 3   18 24 o 251.9657 7.336129 3135.809       180.7390 3276.000       261.1888 3007.000       250.3620 256.3531 10.43080 245.5822 10.43896 10.77092       14.75715 
1 1 1 3   18 25 o 272.0918 7.819810 3664.254       208.0497 3908.000       306.5063 3456.000       283.3138 279.3600 11.23195 262.7846 11.03901 16.57541       15.74854 
1 1 1 3   18 26 o 290.5386 8.275484 4188.879       235.1044 4723.000       359.3105 3789.000       310.8954 306.2184 12.01090 274.4926 11.59731 31.72580       16.69609 
1 1 1 3   18 27 o 53.78201 7.476331 145.9330       38.29517 200.6000       56.62675 99.86000       51.98552 62.73483 9.520204 43.76323 11.84778 18.97160       15.19882 
1 1 1 3   18 28 o 77.57625 5.773314 298.5947       43.52466 327.1000       63.14947 272.8000       60.07210 80.70500 8.103521 73.53327 8.502541 7.171730       11.74565 
1 1 1 3   18 29 o 61.63470 6.795312 190.5879       40.31633 168.2000       55.34465 215.9000       58.84829 56.95181 10.30736 64.93289 9.543487 -7.981083      14.04706 
1 1 1 3   18 30 o 105.6988 5.259328 553.1882       54.24258 633.8000       78.83051 480.7000       74.75298 112.6081 7.189401 97.79557 7.875688 14.81252       10.66367 
1 1 1 3   18 31 o 75.05112 5.839293 280.8798       42.55935 279.6000       59.72483 282.2000       60.66213 74.16467 8.373430 74.48069 8.471202 -0.3160172     11.91115 
1 1 1 3   18 32 o 114.5851 5.232290 651.5014       58.52999 689.7000       83.73055 615.0000       81.84933 117.1401 7.339395 110.4781 7.615490 6.661911       10.57650 
1 1 1 3   18 33 o 63.40028 9.345319 208.9000       56.25784 208.9000       56.25784 0.000000       0.000000 63.40028 9.345319 ?        ?        ?              ?        
1 1 1 3   18 34 o 106.3610 7.541864 573.8000       78.00838 573.8000       78.00838 0.000000       0.000000 106.3610 7.541864 ?        ?        ?              ?        
1 1 1 3   18 35 o 80.21181 5.737713 322.6982       44.75128 359.0000       63.96792 287.9000       62.62905 83.74997 7.896379 74.55109 8.748816 9.198875       11.78535 
1 1 1 3   18 36 o 75.34253 8.634684 294.7000       62.52931 0.000000       0.000000 294.7000       62.52931 ?        ?        75.34253 8.634684 ?              ?        
1 1 1 3   18 37 f 100.1603 5.451596 502.8167       53.24576 412.3000       69.71967 629.5000       82.48035 89.42012 8.051655 110.8829 7.646225 -21.46278      11.10378 
1 1 1 3   18 38 o 87.87872 5.785486 389.1176       49.48883 390.9000       67.16010 387.0000       73.20560 86.97804 7.977276 86.04649 8.816225 0.9315491      11.88961 
1 1 1 3   18 39 o 93.55585 5.700786 441.4102       51.95717 421.3000       69.37413 467.1000       78.40983 90.15578 7.942484 94.54022 8.566076 -4.384445      11.68164 
1 1 1 3   18 40 o 117.6082 5.511314 697.1638       63.26878 739.6000       87.74203 651.2000       91.31608 119.6622 7.529249 111.5225 8.427616 8.139709       11.30108 
1 1 1 3   18 41 o 62.44419 7.215679 203.3048       43.29332 212.8000       57.03871 190.4000       66.49552 62.48721 9.634815 57.32353 12.22431 5.163673       15.56481 
1 1 1 3   18 42 o 76.87949 6.326368 304.5120       47.18617 319.3000       62.22419 284.5000       72.38516 77.34518 8.351271 71.13625 10.72904 6.208931       13.59618 
1 1 1 3   18 43 o 56.18575 7.571555 168.1792       40.58175 139.6000       51.64673 214.3000       65.60938 48.95354 11.04219 60.62604 11.47620 -11.67249      15.92587 
1 1 1 3   18 44 o 79.23933 5.931607 323.6717       45.67266 318.8000       59.60524 330.6000       71.08148 77.06942 8.018351 77.05262 9.634589 0.1679993E-01  12.53472 
1 1 1 3   18 45 o 54.18568 7.618449 157.9548       39.29271 128.7000       50.71215 201.9000       62.15392 46.41051 11.27591 58.51894 11.25960 -12.10843      15.93502 
1 1 1 3   18 46 o 68.40453 9.018923 259.8000       58.91750 259.8000       58.91750 0.000000       0.000000 68.40453 9.018923 ?        ?        ?              ?        
1 1 1 3   18 47 o 21.87039 8.862176 16.47364       29.51415 0.000000       0.000000 16.47364       29.51415 ?        ?        21.87039 8.862176 ?              ?        
1 1 1 3   18 48 o 50.92049 11.17886 157.4000       54.18775 0.000000       0.000000 157.4000       54.18775 ?        ?        50.92049 11.17886 ?              ?        
1 1 1 3   18 49 o 50.87613 6.882408 139.2975       33.39550 0.000000       0.000000 139.2975       33.39550 ?        ?        50.87613 6.882408 ?              ?        
1 1 1 3   18 50 o 33.01498 8.895516 63.57892       29.38952 0.000000       0.000000 63.57892       29.38952 ?        ?        33.01498 8.895516 ?              ?        
1 1 1 3   18 51 o 29.16837 9.089972 49.58352       28.74199 0.000000       0.000000 49.58352       28.74199 ?        ?        29.16837 9.089972 ?              ?        
1 1 1 3   18 52 o 19.86237 8.369346 9.566585       27.76097 0.000000       0.000000 9.566585       27.76097 ?        ?        19.86237 8.369346 ?              ?        
1 1 1 3   18 53 o 37.30918 8.521166 80.63692       30.43398 0.000000       0.000000 80.63692       30.43398 ?        ?        37.30918 8.521166 ?              ?        
1 1 1 3   18 54 o 27.84000 9.130018 45.02714       28.71613 0.000000       0.000000 45.02714       28.71613 ?        ?        27.84000 9.130018 ?              ?        
1 1 1 3   18 55 o 30.21058 10.39071 55.71000       37.16445 0.000000       0.000000 55.71000       37.16445 ?        ?        30.21058 10.39071 ?              ?        
1 1 1 3   18 56 o 35.77849 8.661435 75.35930       30.00481 0.000000       0.000000 75.35930       30.00481 ?        ?        35.77849 8.661435 ?              ?        
1 1 1 3   18 57 o 30.81907 11.45315 61.00000       46.08121 0.000000       0.000000 61.00000       46.08121 ?        ?        30.81907 11.45315 ?              ?        
1 1 1 3   18 58 o 23.22478 8.739845 28.66680       27.00570 0.000000       0.000000 28.66680       27.00570 ?        ?        23.22478 8.739845 ?              ?        
1 1 1 3   19 0  o 196.7706 5.913969 1901.122       113.7765 0.000000       0.000000 1901.122       113.7765 ?        ?        196.7706 5.913969 ?              ?        
1 1 1 3   19 1  o 407.2576 11.00245 8189.718       438.1944 0.000000       0.000000 8189.718       438.1944 ?        ?        407.2576 11.00245 ?              ?        
1 1 1 3   19 2  o 322.7329 7.207335 5115.661       227.6796 5259.000       401.0227 5047.480       276.5779 325.8055 12.59864 320.1711 8.833735 5.634430       15.38702 
1 1 1 3   19 3  o 96.74934 3.218807 458.9472       30.43996 445.2161       41.96122 474.1999       44.22515 95.20409 4.515709 98.25351 4.611353 -3.049423      6.454163 
1 1 1 3   19 4  f 185.9054 4.644955 1694.020       84.52393 1825.083       107.1395 1478.000       137.5485 192.8073 5.683216 173.1887 8.136652 19.61858       9.924921 
1 1 1 3   19 5  o 511.2089 9.605579 12874.74       480.6491 12966.97       682.9931 12784.24       676.5339 511.1451 13.66330 507.5454 13.63018 3.599640       19.29942 
1 1 1 3   19 6  o 131.0250 3.324117 841.4214       42.59768 809.8721       59.13826 875.4417       61.41039 128.4482 4.711627 133.5540 4.704979 -5.105789      6.658548 
1 1 1 3   19 7  o 196.1793 4.145036 1885.993       79.59534 1925.575       113.9466 1848.274       111.2321 198.0116 5.885548 193.9952 5.864512 4.016373       8.308560 
1 1 1 3   19 8  o 153.9937 4.112723 1162.933       61.93692 1170.000       106.4124 1159.313       76.16858 154.1598 7.070870 153.6734 5.070679 0.4864655      8.701092 
1 1 1 3   19 9  o 216.7145 4.460228 2302.159       94.61311 2392.056       136.7848 2219.694       131.0084 220.6382 6.340177 212.5386 6.304277 8.099625       8.941014 
1 1 1 3   19 10 o 262.1874 5.200140 3371.855       133.4545 3492.423       192.8959 3261.161       184.8287 266.4277 7.403867 257.4599 7.341712 8.967773       10.42679 
1 1 1 3   19 11 o 298.9411 6.747148 4390.944       197.4295 4343.313       239.4796 4492.000       348.8200 296.9146 8.248060 300.9012 11.86653 -3.986664      14.45147 
1 1 1 3   19 12 o 113.4344 3.521372 631.0548       39.05138 651.6270       50.00695 598.9000       62.51902 115.2006 4.443081 110.3022 5.811079 4.898460       7.315027 
1 1 1 3   19 13 o 90.80955 3.348414 404.5593       29.71205 419.6670       39.09450 383.9000       45.71672 92.41858 4.333725 88.29178 5.314517 4.126801       6.857497 
1 1 1 3   19 14 o 123.7720 3.567978 751.3079       43.18147 782.2910       55.73905 704.8000       68.29059 126.2231 4.518723 119.6635 5.848039 6.559647       7.390428 
1 1 1 3   19 15 o 119.4311 4.312996 700.3079       50.33718 704.5000       78.65526 697.4000       65.50926 119.5154 6.750984 119.0489 5.637761 0.4664764      8.795462 
1 1 1 3   19 16 o 274.8123 6.236116 3711.227       167.7477 3687.196       205.6550 3759.000       289.9651 273.5263 7.688915 275.2616 10.78288 -1.735291      13.24349 
1 1 1 3   19 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 18 o 145.5608 5.259996 1041.556       74.82062 1057.000       105.6221 1026.000       106.0036 146.3243 7.398497 144.1330 7.539871 2.191284       10.56349 
1 1 1 3   19 19 o 198.5554 8.784796 1951.000       170.3112 0.000000       0.000000 1951.000       170.3112 ?        ?        198.5554 8.784796 ?              ?        
1 1 1 3   19 20 o 166.6411 5.591512 1366.027       91.07561 1390.000       128.7270 1342.000       128.8739 167.6835 7.864744 164.7243 8.016915 2.959290       11.23055 
1 1 1 3   19 21 o 234.3756 6.926350 2708.407       158.7254 2962.000       235.7086 2498.000       214.7022 244.1927 9.881765 224.2454 9.805231 19.94728       13.92091 
1 1 1 3   19 22 o 175.5891 5.770088 1517.905       99.03667 1391.000       132.6013 1678.000       148.9354 167.5925 8.107317 184.0602 8.287956 -16.46768      11.59391 
1 1 1 3   19 23 f 262.6966 7.612395 3411.884       195.5346 3876.000       299.4756 3067.000       258.1574 278.4954 11.00762 247.8438 10.66641 30.65160       15.32775 
1 1 1 3   19 24 o 115.7434 5.242754 660.1789       59.24242 685.3000       83.48679 634.7000       84.07921 117.5580 7.291252 113.0438 7.643580 4.514252       10.56346 
1 1 1 3   19 25 o 148.4613 5.443717 1086.495       78.97304 1064.000       110.4792 1110.000       112.9306 146.3792 7.738212 149.5169 7.742784 -3.137772      10.94672 
1 1 1 3   19 26 o 110.0801 5.244256 598.0905       56.34408 629.2000       80.55970 568.3000       78.83346 112.4628 7.358593 106.8017 7.590416 5.661087       10.57182 
1 1 1 3   19 27 o 200.9787 6.283549 1998.812       123.4603 2275.000       186.8999 1785.000       164.4460 213.2281 8.974918 188.8569 8.921000 24.37123       12.65438 
1 1 1 3   19 28 o 170.3045 5.737362 1434.905       95.50453 1528.000       138.7125 1351.000       131.6887 174.8123 8.128829 164.3173 8.213683 10.49501       11.55606 
1 1 1 3   19 29 o 116.6163 5.265934 673.1955       59.95408 621.3000       81.87321 733.2000       88.03777 111.3502 7.556576 121.0343 7.467483 -9.684090      10.62380 
1 1 1 3   19 30 o 113.4808 5.288248 638.4151       58.57935 635.6000       81.65742 641.4000       84.08326 112.5256 7.455797 112.9662 7.649333 -0.4405670     10.68182 
1 1 1 3   19 31 o 51.93187 7.793579 138.2158       38.39510 144.9000       53.11401 130.9000       55.56672 52.26201 10.74211 49.35139 11.68489 2.910622       15.87229 
1 1 1 3   19 32 o 63.50832 9.211215 209.3000       55.59112 209.3000       55.59112 0.000000       0.000000 63.50832 9.211215 ?        ?        ?              ?        
1 1 1 3   19 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 34 o 92.36503 5.422869 426.3517       48.81216 535.2000       72.26061 335.0000       66.19868 102.7268 7.232631 80.59167 8.520626 22.13514       11.17640 
1 1 1 3   19 35 f 113.1933 7.569827 653.4000       83.38911 0.000000       0.000000 653.4000       83.38911 ?        ?        113.1933 7.569827 ?              ?        
1 1 1 3   19 36 o 93.73465 5.479104 440.6275       50.05162 458.5000       69.97105 421.9000       71.62531 94.57724 7.622850 90.39176 8.183853 4.185478       11.18406 
1 1 1 3   19 37 o 90.10495 5.668484 408.4680       49.74112 456.6000       68.97058 356.3000       71.80406 94.32824 7.532454 82.41256 9.049939 11.91568       11.77452 
1 1 1 3   19 38 o 87.93222 5.760680 390.3087       49.30941 353.3000       65.18890 439.8000       75.38513 82.37160 8.193721 91.78207 8.487254 -9.410469      11.79706 
1 1 1 3   19 39 o 61.55157 7.176842 196.1867       42.42899 165.7000       55.35710 239.6000       66.05869 54.72248 10.71841 66.16581 10.55409 -11.44333      15.04238 
1 1 1 3   19 40 o 65.02818 6.966839 219.2193       43.65450 182.0000       56.46940 274.5000       68.82014 57.24971 10.46247 70.72917 10.23798 -13.47946      14.63829 
1 1 1 3   19 41 o 32.47579 10.61576 58.27271       38.83665 104.5000       49.73483 -13.96000      62.16965 42.26318 11.64889 25.52823 11.56221 16.73495       16.41284 
1 1 1 3   19 42 o 82.30135 5.966494 348.1783       47.73900 316.1000       61.78510 395.7000       75.20113 76.66615 8.369052 85.11195 9.171270 -8.445801      12.41585 
1 1 1 3   19 43 o 62.21020 6.823517 203.2506       40.86941 199.1000       52.39517 209.7000       65.31252 59.96605 9.221376 59.65363 11.60328 0.3124199      14.82127 
1 1 1 3   19 44 o 35.44225 9.903702 72.55268       35.67951 73.07000       44.40301 71.61000       59.94004 35.14996 11.34072 35.03984 13.05451 0.1101265      17.29254 
1 1 1 3   19 45 o 43.79795 11.29334 115.7000       48.72692 115.7000       48.72692 0.000000       0.000000 43.79795 11.29334 ?        ?        ?              ?        
1 1 1 3   19 46 o 44.53750 12.17424 124.5000       54.57982 0.000000       0.000000 124.5000       54.57982 ?        ?        44.53750 12.17424 ?              ?        
1 1 1 3   19 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   19 48 o 35.22276 8.938984 71.73069       30.86558 0.000000       0.000000 71.73069       30.86558 ?        ?        35.22276 8.938984 ?              ?        
1 1 1 3   19 49 o 29.85802 9.196689 52.04109       29.51940 0.000000       0.000000 52.04109       29.51940 ?        ?        29.85802 9.196689 ?              ?        
1 1 1 3   19 50 o 28.58462 9.117042 47.48315       28.75671 0.000000       0.000000 47.48315       28.75671 ?        ?        28.58462 9.117042 ?              ?        
1 1 1 3   19 51 o 32.61526 8.996127 62.54428       29.65018 0.000000       0.000000 62.54428       29.65018 ?        ?        32.61526 8.996127 ?              ?        
1 1 1 3   19 52 o 36.65559 8.619969 78.08753       30.40523 0.000000       0.000000 78.08753       30.40523 ?        ?        36.65559 8.619969 ?              ?        
1 1 1 3   19 53 o 47.99153 7.167879 126.5732       32.64102 0.000000       0.000000 126.5732       32.64102 ?        ?        47.99153 7.167879 ?              ?        
1 1 1 3   19 54 f 34.68059 10.51332 75.56000       38.77655 0.000000       0.000000 75.56000       38.77655 ?        ?        34.68059 10.51332 ?              ?        
1 1 1 3   19 55 o 31.06167 9.074038 57.64076       29.30959 0.000000       0.000000 57.64076       29.30959 ?        ?        31.06167 9.074038 ?              ?        
1 1 1 3   19 56 o 44.27663 11.33931 128.5000       49.35389 0.000000       0.000000 128.5000       49.35389 ?        ?        44.27663 11.33931 ?              ?        
1 1 1 3   19 57 o 23.18373 8.766649 28.09614       27.24585 0.000000       0.000000 28.09614       27.24585 ?        ?        23.18373 8.766649 ?              ?        
1 1 1 3   19 58 o 34.88942 8.580127 73.44476       29.09460 0.000000       0.000000 73.44476       29.09460 ?        ?        34.88942 8.580127 ?              ?        
1 1 1 3   20 0  o 68.67241 3.584555 231.6600       24.01141 146.0000       46.38567 263.0153       28.06402 53.71062 9.150764 73.15900 3.933469 -19.44838      9.960354 
1 1 1 3   20 1  o 235.1902 5.530261 2713.603       127.3125 0.000000       0.000000 2713.603       127.3125 ?        ?        235.1902 5.530261 ?              ?        
1 1 1 3   20 2  o 185.7862 5.689334 1695.135       103.3401 0.000000       0.000000 1695.135       103.3401 ?        ?        185.7862 5.689334 ?              ?        
1 1 1 3   20 3  o 205.9962 6.073730 2084.630       122.3337 2051.000       172.0722 2119.000       173.9553 203.9340 8.639726 207.3016 8.591540 -3.367630      12.18439 
1 1 1 3   20 4  o 359.2198 6.882632 6339.208       242.0031 6580.009       350.7965 6120.538       334.2882 365.1376 9.823976 352.1842 9.706424 12.95337       13.81033 
1 1 1 3   20 5  o 251.3314 5.826933 3100.045       143.3484 3116.696       175.7932 3067.000       247.6460 251.7314 7.141631 249.0829 10.17881 2.648575       12.43427 
1 1 1 3   20 6  o 267.9026 5.307319 3520.875       139.1741 3740.326       204.2591 3330.710       190.1421 275.6873 7.576529 260.1616 7.474450 15.52573       10.64289 
1 1 1 3   20 7  o 231.3394 4.698388 2624.215       106.3909 2494.525       145.7962 2771.936       155.6009 225.2441 6.620001 237.4353 6.701858 -12.19121      9.420155 
1 1 1 3   20 8  o 346.7792 6.659643 5908.656       226.0530 6009.411       323.4868 5812.500       316.0183 348.8962 9.481060 343.1481 9.417494 5.748077       13.36337 
1 1 1 3   20 9  o 108.8837 3.603710 581.5536       38.35486 599.1841       48.58730 552.4000       62.47961 110.4543 4.503455 105.8923 6.053141 4.561958       7.544641 
1 1 1 3   20 10 o 303.8334 5.915089 4532.820       175.9150 4634.482       252.6427 4437.143       245.0920 306.5932 8.426554 300.0086 8.354341 6.584564       11.86599 
1 1 1 3   20 11 o 251.7987 5.033031 3110.655       124.0479 3239.151       179.9529 2994.312       171.2322 256.5232 7.173858 246.6447 7.100022 9.878540       10.09329 
1 1 1 3   20 12 o 240.7831 4.856655 2844.140       114.4641 3104.143       170.9665 2632.913       154.0979 251.1419 6.961532 231.3073 6.813570 19.83463       9.741029 
1 1 1 3   20 13 o 80.95081 3.086719 321.4944       24.41339 372.1446       36.22128 279.3303       33.04799 87.01483 4.265696 75.33546 4.502203 11.67937       6.202096 
1 1 1 3   20 14 o 154.2579 4.020907 1167.380       60.66068 1224.582       77.68336 1078.000       97.10488 157.8890 5.032979 147.9061 6.724908 9.982849       8.399718 
1 1 1 3   20 15 o 185.2485 4.535627 1683.321       82.24288 1734.216       104.1466 1599.000       134.0521 187.8242 5.671333 180.0206 7.624825 7.803680       9.502735 
1 1 1 3   20 16 o 90.32971 4.356861 401.1203       38.40856 401.1203       38.40856 0.000000       0.000000 90.32971 4.356861 ?        ?        ?              ?        
1 1 1 3   20 17 f 124.2083 7.331657 762.5000       88.74070 0.000000       0.000000 762.5000       88.74070 ?        ?        124.2083 7.331657 ?              ?        
1 1 1 3   20 18 o 172.6303 8.147140 1474.000       137.2782 0.000000       0.000000 1474.000       137.2782 ?        ?        172.6303 8.147140 ?              ?        
1 1 1 3   20 19 o 81.26811 5.614739 326.1439       44.38929 301.9000       59.79807 355.9000       66.24813 77.81058 7.963519 84.52229 8.106752 -6.711708      11.36385 
1 1 1 3   20 20 o 85.47143 5.536236 360.5776       46.06796 320.8000       61.02000 413.3000       70.25070 80.23415 7.870919 91.14948 7.953485 -10.91533      11.18970 
1 1 1 3   20 21 o 284.1885 8.086390 3996.191       224.7116 4232.000       328.5808 3789.000       307.9974 290.8178 11.56597 275.2084 11.45857 15.60941       16.28098 
1 1 1 3   20 22 o 249.9435 7.309176 3087.761       178.6281 2975.000       246.7146 3212.000       258.9672 244.1323 10.34783 253.6357 10.45346 -9.503372      14.70892 
1 1 1 3   20 23 o 80.70907 5.868354 322.5122       46.04343 363.0000       65.77106 283.6000       64.47867 85.25862 7.973658 75.05623 8.952843 10.20239       11.98885 
1 1 1 3   20 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20 25 o 128.8793 5.278997 819.6445       66.45390 926.9000       98.16190 728.9000       90.29076 136.5474 7.371678 120.9628 7.665223 15.58466       10.63472 
1 1 1 3   20 26 o 190.2416 6.124112 1790.820       113.8908 2046.000       172.1020 1592.000       151.9126 202.2452 8.714084 178.3506 8.728386 23.89465       12.33369 
1 1 1 3   20 27 o 102.7637 5.353162 522.7714       53.66070 571.1000       76.47519 475.9000       75.31351 106.8972 7.353637 97.35498 7.973085 9.542191       10.84648 
1 1 1 3   20 28 o 115.1696 5.261025 656.7952       59.15155 671.0000       82.54338 641.8000       84.80844 115.7879 7.320520 113.0950 7.707121 2.692833       10.62966 
1 1 1 3   20 29 o 182.8080 5.970727 1660.348       106.6954 1800.000       156.1343 1538.000       146.1410 188.9413 8.463874 174.5521 8.579729 14.38921       12.05193 
1 1 1 3   20 30 o 55.31214 7.245039 155.6142       38.28334 124.1000       51.97160 193.0000       56.60650 48.13605 11.23590 60.83185 9.842679 -12.69580      14.93733 
1 1 1 3   20 31 o 107.4125 7.461028 582.9000       77.95641 582.9000       77.95641 0.000000       0.000000 107.4125 7.461028 ?        ?        ?              ?        
1 1 1 3   20 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   20 33 o 92.94389 5.412104 431.7129       49.02418 455.4000       69.02389 407.6000       69.64156 94.57733 7.517823 89.18642 8.064494 5.390915       11.02514 
1 1 1 3   20 34 o 121.4960 7.629708 753.0000       90.27715 0.000000       0.000000 753.0000       90.27715 ?        ?        121.4960 7.629708 ?              ?        
1 1 1 3   20 35 o 75.43295 5.834924 286.8453       42.74796 293.3000       58.59353 279.5000       62.50539 75.30357 8.075261 73.06715 8.924544 2.236412       12.03567 
1 1 1 3   20 36 o 86.09411 5.651960 373.0128       47.36640 363.8000       64.63476 383.7000       69.61449 83.90141 7.965719 85.94401 8.381567 -2.042595      11.56302 
1 1 1 3   20 37 o 62.62636 6.877881 201.5424       41.46868 152.3000       54.52612 269.1000       63.86632 52.45173 10.97347 71.11628 9.405142 -18.66455      14.45247 
1 1 1 3   20 38 o 33.45845 10.36477 60.81111       37.43110 56.29000       49.35908 66.93000       57.42234 33.23108 11.92990 35.73164 12.86250 -2.500553      17.54327 
1 1 1 3   20 39 o 133.7275 5.508056 903.2832       71.94400 891.7000       97.70769 917.0000       106.3262 130.9944 7.653599 132.2210 8.256703 -1.226578      11.25836 
1 1 1 3   20 40 o 60.75814 7.260195 193.6018       42.32407 204.8000       55.11016 177.5000       66.08372 61.12833 9.520432 54.68520 12.60431 6.443127       15.79580 
1 1 1 3   20 41 o 65.10398 6.888100 221.9476       43.22990 257.9000       57.41883 174.9000       65.68400 68.95429 8.700516 53.68637 12.69949 15.26792       15.39403 
1 1 1 3   20 42 o 57.70333 7.349129 176.9754       40.56849 136.1000       51.04055 247.1000       66.85272 48.16114 11.06061 65.60664 10.78476 -17.44550      15.44824 
1 1 1 3   20 43 o 77.63271 5.959720 311.5986       44.94102 329.9000       58.47981 285.2000       70.23523 78.52292 7.707784 70.53263 10.49225 7.990288       13.01911 
1 1 1 3   20 44 o 70.88357 8.342438 274.1000       56.77510 274.1000       56.77510 0.000000       0.000000 70.88357 8.342438 ?        ?        ?              ?        
1 1 1 3   20 45 o 22.44079 9.274933 15.11960       33.13566 11.62000       43.42002 20.00000       51.27530 24.00073 10.30128 26.46422 11.27211 -2.463491      15.27013 
1 1 1 3   20 46 o 45.09440 12.39774 129.7000       56.41563 0.000000       0.000000 129.7000       56.41563 ?        ?        45.09440 12.39774 ?              ?        
1 1 1 3   20 47 o 57.39777 6.240290 173.7425       34.49586 0.000000       0.000000 173.7425       34.49586 ?        ?        57.39777 6.240290 ?              ?        
1 1 1 3   20 48 o 32.93023 10.01036 65.14000       35.12184 0.000000       0.000000 65.14000       35.12184 ?        ?        32.93023 10.01036 ?              ?        
1 1 1 3   20 49 o 34.02460 8.629532 67.24067       28.77816 0.000000       0.000000 67.24067       28.77816 ?        ?        34.02460 8.629532 ?              ?        
1 1 1 3   20 50 o 34.04913 8.839868 67.84903       29.71760 0.000000       0.000000 67.84903       29.71760 ?        ?        34.04913 8.839868 ?              ?        
1 1 1 3   20 51 o 32.24038 9.000816 61.50328       29.48486 0.000000       0.000000 61.50328       29.48486 ?        ?        32.24038 9.000816 ?              ?        
1 1 1 3   20 52 o 33.16515 8.996804 65.22060       29.94075 0.000000       0.000000 65.22060       29.94075 ?        ?        33.16515 8.996804 ?              ?        
1 1 1 3   20 53 o 41.47567 10.03743 105.2000       40.30538 0.000000       0.000000 105.2000       40.30538 ?        ?        41.47567 10.03743 ?              ?        
1 1 1 3   20 54 o 24.57658 9.040697 32.40947       28.58441 0.000000       0.000000 32.40947       28.58441 ?        ?        24.57658 9.040697 ?              ?        
1 1 1 3   20 55 o 38.97407 11.89507 103.1000       49.52598 0.000000       0.000000 103.1000       49.52598 ?        ?        38.97407 11.89507 ?              ?        
1 1 1 3   20 56 o 41.42600 7.748990 98.11070       30.26653 0.000000       0.000000 98.11070       30.26653 ?        ?        41.42600 7.748990 ?              ?        
1 1 1 3   20 57 o 30.85345 8.901223 58.25644       28.36390 0.000000       0.000000 58.25644       28.36390 ?        ?        30.85345 8.901223 ?              ?        
1 1 1 3   21 0  o 47.95151 5.246145 114.1500       24.22208 94.53000       42.85209 123.3620       29.36292 42.89521 10.33002 49.74503 6.162007 -6.849823      12.02829 
1 1 1 3   21 1  o 314.0097 6.105772 4841.962       187.6678 4874.000       375.7364 4831.314       216.6232 313.2213 12.27914 313.4872 7.059583 -0.2658691     14.16387 
1 1 1 3   21 2  o 157.9036 4.248692 1223.162       65.60830 0.000000       0.000000 1223.162       65.60830 ?        ?        157.9036 4.248692 ?              ?        
1 1 1 3   21 3  o 307.2486 8.505858 4654.232       255.5619 0.000000       0.000000 4654.232       255.5619 ?        ?        307.2486 8.505858 ?              ?        
1 1 1 3   21 4  f 215.6486 4.473884 2280.198       94.43600 2402.393       137.4952 2171.078       129.9310 221.0526 6.361177 210.1378 6.324073 10.91483       8.969865 
1 1 1 3   21 5  o 155.6268 3.637869 1186.813       55.41631 1118.244       75.52341 1266.793       81.56591 150.8864 5.121003 160.5986 5.195562 -9.712204      7.295104 
1 1 1 3   21 6  o 192.7125 4.788816 1821.565       90.33255 1725.655       106.5914 2066.000       170.1659 187.3839 5.818490 204.5802 8.516349 -17.19640      10.31421 
1 1 1 3   21 7  o 90.97400 3.777821 406.3131       33.56748 441.2000       57.92947 388.6779       41.18686 94.55690 6.294775 88.89222 4.750825 5.664680       7.886351 
1 1 1 3   21 8  o 163.9522 3.722767 1317.371       59.74334 1353.206       85.52171 1283.215       83.49444 165.9697 5.270992 161.6145 5.285129 4.355225       7.464312 
1 1 1 3   21 9  o 203.3822 4.278831 2028.196       85.18131 2087.033       122.3241 1972.806       118.6873 206.0288 6.072284 200.3081 6.060374 5.720627       8.579089 
1 1 1 3   21 10 o 123.3448 3.738419 746.3544       45.08306 739.8513       56.10955 758.2000       75.72811 122.7234 4.679502 124.0590 6.256433 -1.335602      7.812854 
1 1 1 3   21 11 o 189.9771 4.074727 1769.488       75.77150 1893.766       111.2390 1661.914       103.4939 196.2730 5.796504 183.8606 5.757785 12.41241       8.170162 
1 1 1 3   21 12 o 133.0819 3.800419 868.8648       49.45516 896.0027       62.83859 824.7000       80.16347 135.0551 4.760899 129.3717 6.349797 5.683456       7.936377 
1 1 1 3   21 13 o 99.10005 3.470570 481.8832       33.61321 509.0380       43.85176 443.2000       52.33897 101.7788 4.412210 94.82342 5.664840 6.955421       7.180391 
1 1 1 3   21 14 o 126.5726 3.661761 785.9490       45.31887 834.6900       58.99847 715.8000       70.77906 130.3500 4.631419 120.5344 6.018156 9.815628       7.593961 
1 1 1 3   21 15 o 96.98473 3.328276 461.5051       31.54894 500.2487       42.86291 415.7000       46.60559 100.8917 4.350527 91.86498 5.204294 9.026711       6.783197 
1 1 1 3   21 16 o 121.0269 4.431941 719.6339       52.41407 0.000000       0.000000 719.6339       52.41407 ?        ?        121.0269 4.431941 ?              ?        
1 1 1 3   21 17 o 209.5189 9.150988 2177.000       187.2185 0.000000       0.000000 2177.000       187.2185 ?        ?        209.5189 9.150988 ?              ?        
1 1 1 3   21 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 19 o 157.1963 5.502045 1216.469       84.52838 1285.000       120.9306 1151.000       118.1985 161.1274 7.689816 152.4155 7.950250 8.711914       11.06073 
1 1 1 3   21 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 21 o 230.0756 6.884686 2615.206       154.8717 2877.000       231.4634 2403.000       208.3923 240.1556 9.867549 219.5092 9.723032 20.64642       13.85301 
1 1 1 3   21 22 o 50.88414 8.062685 131.3810       38.82049 147.4000       55.84333 116.4000       54.00380 53.29677 11.06683 47.21418 11.73608 6.082592       16.13104 
1 1 1 3   21 23 o 211.5215 6.507173 2212.501       134.5663 2581.000       207.4925 1945.000       176.7854 227.2496 9.348056 197.2975 9.179324 29.95207       13.10138 
1 1 1 3   21 24 o 79.99550 5.659369 317.2513       44.02782 323.0000       60.77011 310.9000       63.87535 80.25739 7.835361 78.57514 8.437041 1.682251       11.51419 
1 1 1 3   21 25 o 52.83211 7.585598 141.5056       38.10425 143.8000       52.25340 138.9000       55.68527 52.52097 10.53115 51.39994 11.36982 1.121029       15.49767 
1 1 1 3   21 26 o 47.48314 8.561677 116.1602       38.32917 136.6000       52.83353 93.45000       55.69051 50.96295 10.91984 42.24179 12.55267 8.721161       16.63768 
1 1 1 3   21 27 o 140.3214 5.352142 975.1212       73.37714 1110.000       106.9342 855.1000       100.8727 148.9616 7.356679 130.4627 7.936718 18.49896       10.82184 
1 1 1 3   21 28 o 102.0781 5.246047 517.0389       52.24103 614.8000       75.66767 428.0000       72.21327 110.7578 7.015641 91.95596 8.105783 18.80186       10.72021 
1 1 1 3   21 29 o 142.3083 5.382965 1005.575       74.84700 1079.000       107.1859 935.7000       104.5622 146.4419 7.502673 136.1536 7.879499 10.28828       10.88010 
1 1 1 3   21 30 o 80.21786 7.772817 327.4000       60.26781 327.4000       60.26781 0.000000       0.000000 80.21786 7.772817 ?        ?        ?              ?        
1 1 1 3   21 31 o 121.7994 5.219680 738.7041       62.08502 782.1000       87.69656 695.1000       87.90678 124.3642 7.235366 116.9586 7.721836 7.405563       10.58193 
1 1 1 3   21 32 o 63.90195 9.521742 214.8000       57.74182 0.000000       0.000000 214.8000       57.74182 ?        ?        63.90195 9.521742 ?              ?        
1 1 1 3   21 33 o 53.59152 10.94187 156.3000       55.45398 0.000000       0.000000 156.3000       55.45398 ?        ?        53.59152 10.94187 ?              ?        
1 1 1 3   21 34 o 99.94798 5.243378 499.9174       51.11752 432.4000       67.53259 590.5000       78.22178 91.83050 7.580579 107.4566 7.483605 -15.62611      10.65221 
1 1 1 3   21 35 o 88.26454 5.493128 391.4613       47.22307 372.2000       63.43746 415.4000       70.72182 84.99874 7.708511 89.56824 8.156015 -4.569496      11.22238 
1 1 1 3   21 36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   21 37 o 110.5365 5.393090 614.7900       58.17505 606.6000       78.44321 624.8000       86.72224 108.4786 7.432536 109.5507 8.145694 -1.072105      11.02701 
1 1 1 3   21 38 o 71.46603 6.264116 261.5516       43.37669 245.8000       57.12556 283.0000       66.66000 67.83971 8.810750 72.26843 9.665593 -4.428719      13.07872 
1 1 1 3   21 39 o 23.32900 9.655662 13.94454       35.98122 36.80000       46.25188 -21.09000      57.26413 28.97546 11.30102 23.91484 10.93393 5.060616       15.72463 
1 1 1 3   21 40 o 31.82966 10.40364 56.51229       37.30050 32.62000       47.29026 95.85000       60.68025 28.19694 11.29062 39.66218 13.28132 -11.46525      17.43191 
1 1 1 3   21 41 o 16.64956 7.884439 -33.42617      34.21650 -24.99000      42.90295 -48.17000      56.71780 19.92988 9.238089 21.32558 10.11411 -1.395704      13.69808 
1 1 1 3   21 42 o 20.63513 8.995458 1.417849       34.15361 -21.86000      42.39300 44.47000       57.65276 20.01522 9.244327 30.82470 12.42347 -10.80949      15.48548 
1 1 1 3   21 43 o 44.16351 11.26332 117.6000       48.83540 117.6000       48.83540 0.000000       0.000000 44.16351 11.26332 ?        ?        ?              ?        
1 1 1 3   21 44 o 32.98556 10.19091 63.53421       36.21408 69.49000       47.73712 55.46000       55.58232 34.09415 11.77424 31.95106 12.40916 2.143089       17.10614 
1 1 1 3   21 45 o 24.07795 10.61391 5.083000       48.75057 0.000000       0.000000 5.083000       48.75057 ?        ?        24.07795 10.61391 ?              ?        
1 1 1 3   21 46 o 31.66699 11.94035 57.95000       50.46129 0.000000       0.000000 57.95000       50.46129 ?        ?        31.66699 11.94035 ?              ?        
1 1 1 3   21 47 o 59.58549 5.852840 186.2637       33.69604 0.000000       0.000000 186.2637       33.69604 ?        ?        59.58549 5.852840 ?              ?        
1 1 1 3   21 48 f 33.35852 8.593453 64.52057       28.23168 0.000000       0.000000 64.52057       28.23168 ?        ?        33.35852 8.593453 ?              ?        
1 1 1 3   21 49 o 36.39408 10.48651 82.25000       39.38984 0.000000       0.000000 82.25000       39.38984 ?        ?        36.39408 10.48651 ?              ?        
1 1 1 3   21 50 o 17.41475 7.864895 -7.215899      28.52320 0.000000       0.000000 -7.215899      28.52320 ?        ?        17.41475 7.864895 ?              ?        
1 1 1 3   21 51 o 30.12272 9.239922 53.97203       29.83563 0.000000       0.000000 53.97203       29.83563 ?        ?        30.12272 9.239922 ?              ?        
1 1 1 3   21 52 o 27.67222 10.20960 43.68000       36.49902 0.000000       0.000000 43.68000       36.49902 ?        ?        27.67222 10.20960 ?              ?        
1 1 1 3   21 53 o 30.49246 9.100959 55.63390       29.22394 0.000000       0.000000 55.63390       29.22394 ?        ?        30.49246 9.100959 ?              ?        
1 1 1 3   21 54 o 60.50533 9.671528 218.7000       55.35103 0.000000       0.000000 218.7000       55.35103 ?        ?        60.50533 9.671528 ?              ?        
1 1 1 3   21 55 o 23.85443 8.921190 30.26523       28.04566 0.000000       0.000000 30.26523       28.04566 ?        ?        23.85443 8.921190 ?              ?        
1 1 1 3   21 56 o 41.67750 7.576436 99.33515       29.76995 0.000000       0.000000 99.33515       29.76995 ?        ?        41.67750 7.576436 ?              ?        
1 1 1 3   22 0  o 145.8487 3.540144 1042.393       50.53936 1020.000       100.6321 1049.946       58.44455 143.8157 7.171269 146.2887 4.085568 -2.472992      8.253422 
1 1 1 3   22 1  o 33.29606 6.323294 56.27137       19.85491 54.74000       41.26091 56.73283       22.64968 33.75774 10.93551 33.32964 7.156499 0.4281082      13.06908 
1 1 1 3   22 2  o 136.6105 3.460798 915.0633       46.23987 832.2000       89.19947 945.5135       54.07248 129.8839 7.042523 138.8249 3.983382 -8.940994      8.091011 
1 1 1 3   22 3  o 324.0159 8.927268 5184.004       282.8636 0.000000       0.000000 5184.004       282.8636 ?        ?        324.0159 8.927268 ?              ?        
1 1 1 3   22 4  f 144.9558 4.088740 1030.960       57.95583 1007.000       98.93348 1043.478       71.51056 142.8968 7.095369 145.7412 5.020309 -2.844391      8.691821 
1 1 1 3   22 5  o 213.4785 5.139089 2236.570       107.3857 2488.000       198.1628 2132.036       127.7733 224.3342 9.042974 208.1956 6.277095 16.13860       11.00806 
1 1 1 3   22 6  o 95.34702 3.650006 446.2061       34.00197 400.2705       41.63448 538.2000       58.91936 90.20544 4.731901 104.5229 5.781432 -14.31747      7.471000 
1 1 1 3   22 7  o 165.3770 4.389250 1342.241       70.98841 1398.725       87.71286 1235.000       120.8605 168.7150 5.317971 158.1411 7.832258 10.57394       9.467052 
1 1 1 3   22 8  o 203.3090 4.296722 2027.061       85.50671 1947.069       117.7783 2116.211       124.3377 198.9686 6.054527 207.4257 6.130711 -8.457123      8.616432 
1 1 1 3   22 9  o 274.4514 5.433326 3698.601       145.9612 3577.628       202.1592 3830.339       210.9627 269.3784 7.674809 278.7200 7.740199 -9.341614      10.90015 
1 1 1 3   22 10 f 114.0980 3.682235 638.7813       41.07017 708.3326       53.37154 537.8000       64.30984 120.0771 4.549142 104.4006 6.322793 15.67648       7.789249 
1 1 1 3   22 11 o 116.3340 3.291624 663.7221       37.44436 724.9397       54.50126 608.9930       51.53203 121.4703 4.592119 111.3031 4.740885 10.16711       6.600268 
1 1 1 3   22 12 o 173.4535 4.411652 1476.881       74.84070 1575.680       96.02513 1324.000       119.4502 179.0204 5.486419 163.7564 7.471848 15.26401       9.269806 
1 1 1 3   22 13 o 207.9846 4.363130 2122.184       88.82507 2280.921       131.0809 1987.403       120.7851 215.2663 6.227502 200.9414 6.148211 14.32492       8.751130 
1 1 1 3   22 14 o 125.4174 3.709707 771.9008       45.49106 768.1153       57.73341 778.1000       73.88046 125.0044 4.726928 125.6452 6.024830 -0.6408386     7.657834 
1 1 1 3   22 15 o 47.75806 4.098382 112.7054       18.97360 86.77000       32.67430 125.9000       23.30549 41.17461 8.392236 50.41547 4.779767 -9.240860      9.657939 
1 1 1 3   22 16 o 203.6393 6.037248 2041.991       120.2062 2246.000       186.4956 1897.000       157.2228 212.8072 8.973295 195.7561 8.223609 17.05107       12.17160 
1 1 1 3   22 17 f 228.8552 6.817468 2584.042       152.5477 2687.000       219.5851 2488.000       212.0806 232.4362 9.672594 223.6344 9.711644 8.801895       13.70675 
1 1 1 3   22 18 o 180.3192 5.871658 1602.161       103.4974 1725.000       150.5194 1492.000       142.5411 186.5013 8.265798 173.3784 8.424438 13.12289       11.80231 
1 1 1 3   22 19 o 232.5482 6.918978 2671.779       157.3178 2860.000       230.6324 2508.000       215.1370 239.4596 9.860796 224.2299 9.825869 15.22968       13.92060 
1 1 1 3   22 20 o 158.8675 5.599983 1244.339       86.94571 1171.000       119.7862 1326.000       126.3998 153.5209 7.998960 163.4122 7.925979 -9.891235      11.26075 
1 1 1 3   22 21 o 115.5788 5.314509 659.1453       59.96305 796.6000       90.03995 549.6000       80.38083 126.6491 7.294036 104.9833 7.879646 21.66579       10.73740 
1 1 1 3   22 22 o 156.0674 5.522008 1202.365       84.22296 1316.000       123.3118 1103.000       115.3090 162.6138 7.769610 148.7843 7.946542 13.82953       11.11370 
1 1 1 3   22 23 o 84.84103 5.553720 356.6745       45.86717 385.9000       63.64812 325.1000       66.15651 87.83839 7.473687 80.29281 8.548926 7.545586       11.35518 
1 1 1 3   22 24 o 233.5343 6.995271 2711.259       159.7245 3029.000       240.0965 2459.000       213.9303 244.8619 10.03876 220.6593 9.930202 24.20259       14.12040 
1 1 1 3   22 25 o 85.61720 5.487346 363.9048       45.74433 418.7000       64.03482 306.8000       65.37035 91.41061 7.215174 77.71019 8.745696 13.70042       11.33781 
1 1 1 3   22 26 o 37.22697 9.523893 72.80576       34.84106 67.48000       46.22665 79.81000       53.01295 36.34495 11.55555 39.25838 12.36130 -2.913433      16.92136 
1 1 1 3   22 27 o 91.48303 5.326975 415.9476       47.49464 385.6000       64.13521 452.8000       70.67517 87.38774 7.572569 94.70093 7.690546 -7.313187      10.79297 
1 1 1 3   22 28 o 74.35535 5.886670 276.6407       42.49446 282.3000       56.89393 269.5000       63.90827 74.46838 7.926953 72.24685 9.249013 2.221527       12.18117 
1 1 1 3   22 29 f 78.50186 7.769532 314.0000       58.91868 314.0000       58.91868 0.000000       0.000000 78.50186 7.769532 ?        ?        ?              ?        
1 1 1 3   22 30 o 34.56489 9.734517 63.55412       34.32882 71.88000       46.95064 53.99000       50.32095 36.83319 11.63773 33.60085 12.04764 3.232346       16.75059 
1 1 1 3   22 31 o 45.92835 11.62466 116.1000       52.29753 0.000000       0.000000 116.1000       52.29753 ?        ?        45.92835 11.62466 ?              ?        
1 1 1 3   22 32 o 88.05938 5.407464 388.4808       46.38483 351.3000       63.40186 431.3000       68.03953 82.62746 7.936686 91.77609 7.643324 -9.148628      11.01868 
1 1 1 3   22 33 o 121.4920 5.181165 737.9048       61.47279 742.9000       84.90008 732.4000       89.12503 120.7220 7.217770 119.5671 7.655426 1.154907       10.52149 
1 1 1 3   22 34 o 114.4366 5.254793 655.8947       58.70375 656.5000       80.30830 655.2000       86.02556 113.3146 7.278998 112.8201 7.838704 0.4944992      10.69715 
1 1 1 3   22 35 o 81.65366 5.576728 336.2825       44.30437 291.9000       57.68863 400.1000       69.17585 74.88366 7.993880 87.67873 8.153800 -12.79507      11.41869 
1 1 1 3   22 36 o 58.03680 6.876492 173.8936       38.30584 109.6000       47.79217 289.4000       64.05840 44.14472 11.07920 73.80056 9.057376 -29.65584      14.31030 
1 1 1 3   22 37 o 103.2863 5.293464 538.2031       53.33814 522.0000       70.84957 559.4000       81.03542 100.4111 7.257547 103.2976 8.078757 -2.886497      10.85994 
1 1 1 3   22 38 o 59.42916 7.089590 184.7616       40.42844 162.3000       51.96624 219.2000       64.34625 53.85516 10.23197 62.24771 10.96091 -8.392551      14.99449 
1 1 1 3   22 39 o 52.34182 8.069416 147.5582       40.01556 117.5000       50.51393 198.2000       65.56681 44.60043 11.49769 57.95043 11.95591 -13.35000      16.58736 
1 1 1 3   22 40 o 57.51500 7.234432 175.3666       39.82895 206.1000       51.33779 128.9000       63.12508 61.34993 8.800700 45.22143 13.34560 16.12850       15.98616 
1 1 1 3   22 41 o 46.71862 8.310197 119.9009       36.60925 135.9000       46.06441 92.47000       60.31681 48.68544 10.00115 38.50227 13.23753 10.18317       16.59082 
1 1 1 3   22 42 o 50.20525 10.38885 146.8000       49.36886 146.8000       49.36886 0.000000       0.000000 50.20525 10.38885 ?        ?        ?              ?        
1 1 1 3   22 43 f 73.07483 6.207659 278.7664       43.98209 270.3000       59.58687 288.9000       65.19028 69.71732 8.937079 71.51631 9.551189 -1.798996      13.08039 
1 1 1 3   22 44 o 22.54931 10.24172 -9.752000      49.19838 0.000000       0.000000 -9.752000      49.19838 ?        ?        22.54931 10.24172 ?              ?        
1 1 1 3   22 45 o 48.16629 7.751354 127.6452       35.30506 206.7000       47.45290 29.63000       52.83786 61.18286 8.124283 27.59516 11.58212 33.58770       14.14742 
1 1 1 3   22 46 o 51.75955 6.835316 144.2224       33.78458 0.000000       0.000000 144.2224       33.78458 ?        ?        51.75955 6.835316 ?              ?        
1 1 1 3   22 47 o 17.67637 7.816381 -1.869884      26.63613 0.000000       0.000000 -1.869884      26.63613 ?        ?        17.67637 7.816381 ?              ?        
1 1 1 3   22 48 o 29.46013 9.177403 51.09286       29.30058 0.000000       0.000000 51.09286       29.30058 ?        ?        29.46013 9.177403 ?              ?        
1 1 1 3   22 49 o 15.23044 7.169913 -22.65655      27.53550 0.000000       0.000000 -22.65655      27.53550 ?        ?        15.23044 7.169913 ?              ?        
1 1 1 3   22 50 o 21.56853 9.417777 6.777000       37.56783 0.000000       0.000000 6.777000       37.56783 ?        ?        21.56853 9.417777 ?              ?        
1 1 1 3   22 51 o 27.35380 10.35085 41.71000       37.99837 0.000000       0.000000 41.71000       37.99837 ?        ?        27.35380 10.35085 ?              ?        
1 1 1 3   22 52 o 27.69312 9.219808 44.95071       29.24895 0.000000       0.000000 44.95071       29.24895 ?        ?        27.69312 9.219808 ?              ?        
1 1 1 3   22 53 o 88.32339 8.102715 440.2000       69.27088 0.000000       0.000000 440.2000       69.27088 ?        ?        88.32339 8.102715 ?              ?        
1 1 1 3   22 54 o 28.59989 9.123941 49.15449       28.79898 0.000000       0.000000 49.15449       28.79898 ?        ?        28.59989 9.123941 ?              ?        
1 1 1 3   22 55 o 24.97656 8.892036 35.72013       27.36309 0.000000       0.000000 35.72013       27.36309 ?        ?        24.97656 8.892036 ?              ?        
1 1 1 3   22 56 o 24.06324 8.824569 32.48639       27.20031 0.000000       0.000000 32.48639       27.20031 ?        ?        24.06324 8.824569 ?              ?        
1 1 1 3   23 0  o 124.9260 3.922000 765.8693       47.89922 830.2000       86.81438 737.7149       57.43213 129.7228 6.861461 122.5229 4.798127 7.199821       8.372673 
1 1 1 3   23 1  o 219.2117 4.558983 2357.300       97.82233 2357.000       195.0284 2357.401       113.0748 218.2447 9.149821 219.1305 5.271776 -0.8858490     10.55987 
1 1 1 3   23 2  o 235.7374 4.811267 2726.864       111.0182 2783.000       224.6071 2708.716       127.7092 237.0168 9.701905 234.8499 5.555533 2.166962       11.17993 
1 1 1 3   23 3  o 403.9370 7.713700 8039.293       304.9879 7942.000       602.7581 8072.774       353.5923 397.1689 15.53460 404.3156 8.934621 -7.146698      17.92069 
1 1 1 3   23 4  o 237.4196 6.861742 2775.822       159.2947 0.000000       0.000000 2775.822       159.2947 ?        ?        237.4196 6.861742 ?              ?        
1 1 1 3   23 5  o 119.6319 3.836586 702.3429       44.86794 687.5000       76.84639 710.0199       55.26624 118.0333 6.678647 120.2028 4.706297 -2.169502      8.170285 
1 1 1 3   23 6  o 230.3648 4.718007 2603.946       106.3851 2536.372       148.2218 2675.745       152.7844 226.9652 6.679121 233.1179 6.702679 -6.152695      9.462376 
1 1 1 3   23 7  o 230.5524 5.451025 2610.639       123.0139 2345.000       199.1019 2774.649       156.4464 217.5656 9.371267 237.3694 6.740226 -19.80374      11.54345 
1 1 1 3   23 8  o 229.4563 6.669105 2592.878       149.6279 2592.878       149.6279 0.000000       0.000000 229.4563 6.669105 ?        ?        ?              ?        
1 1 1 3   23 9  o 108.9339 3.753575 582.4755       39.96363 515.0051       48.02465 734.4000       72.06451 102.3216 4.808474 122.0713 6.050023 -19.74972      7.728144 
1 1 1 3   23 10 o 108.4646 3.734143 577.4913       39.58557 632.6511       51.17289 495.3000       62.46572 113.4462 4.617983 100.1328 6.406838 13.31348       7.897680 
1 1 1 3   23 11 o 261.0611 6.006667 3351.648       153.4907 3582.166       196.7282 2993.000       245.3852 269.4349 7.466646 245.3702 10.23943 24.06467       12.67268 
1 1 1 3   23 12 o 45.34238 4.691652 101.9982       20.52220 96.12626       29.35921 107.6086       28.69764 43.61185 7.123210 46.30916 6.510537 -2.697308      9.650244 
1 1 1 3   23 13 f 96.04807 3.274437 452.7136       30.73944 509.0208       45.66051 406.0409       41.57098 101.7263 4.597539 90.82153 4.692130 10.90473       6.569129 
1 1 1 3   23 14 o 211.2662 6.295406 2199.322       130.0395 0.000000       0.000000 2199.322       130.0395 ?        ?        211.2662 6.295406 ?              ?        
1 1 1 3   23 15 o 177.6915 4.565353 1551.499       79.33913 1695.000       147.0568 1492.579       94.22959 184.9396 8.143576 174.1179 5.535921 10.82169       9.847042 
1 1 1 3   23 16 o 166.3842 3.734542 1358.111       60.82130 1283.000       123.2516 1382.289       69.92872 160.8795 7.850529 167.7448 4.262382 -6.865219      8.933012 
1 1 1 3   23 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   23 18 o 162.1974 5.590513 1297.030       88.62417 1283.000       123.3516 1312.000       127.4141 160.7436 7.863661 162.5031 8.035238 -1.759476      11.24287 
1 1 1 3   23 19 o 174.3910 5.785670 1500.813       98.62392 1651.000       145.1459 1372.000       134.4212 182.1853 8.159974 166.0008 8.299097 16.18451       11.63874 
1 1 1 3   23 20 o 153.8608 5.472365 1168.382       82.28433 1370.000       123.6212 1008.000       110.2573 165.9842 7.629272 142.2238 7.951727 23.76042       11.01979 
1 1 1 3   23 21 o 56.36052 6.961790 159.7416       37.59070 171.6000       50.88872 145.5000       55.76829 57.87992 9.297028 52.73674 11.15259 5.143177       14.51947 
1 1 1 3   23 22 o 196.4130 6.190698 1911.225       118.8703 2140.000       177.4512 1725.000       160.1005 206.5894 8.795480 185.4158 8.846966 21.17360       12.47515 
1 1 1 3   23 23 o 176.4320 5.839690 1542.183       100.7105 1683.000       147.4355 1419.000       137.8950 183.2304 8.241596 168.1367 8.405412 15.09367       11.77178 
1 1 1 3   23 24 o 115.0447 5.204278 655.5288       58.45308 727.7000       82.56318 583.0000       82.76749 120.6507 7.021522 107.6355 7.911211 13.01518       10.57776 
1 1 1 3   23 25 o 116.7802 5.163682 676.0000       58.87890 676.0000       81.14242 676.0000       85.56844 116.1015 7.175150 115.9398 7.581658 0.1617584      10.43860 
1 1 1 3   23 26 o 43.44856 8.610136 98.53802       35.32297 94.50000       46.76905 103.9000       53.89354 42.02071 11.17713 43.91203 12.13501 -1.891315      16.49808 
1 1 1 3   23 27 o 123.2837 7.244017 765.8000       87.03089 765.8000       87.03089 0.000000       0.000000 123.2837 7.244017 ?        ?        ?              ?        
1 1 1 3   23 28 o 103.7379 7.211267 544.4000       72.76849 544.4000       72.76849 0.000000       0.000000 103.7379 7.211267 ?        ?        ?              ?        
1 1 1 3   23 29 o 76.30598 5.736382 292.1612       42.53159 292.3000       58.01793 292.0000       62.53302 75.47546 7.973662 75.13093 8.661595 0.3445282      11.77296 
1 1 1 3   23 30 o 73.82516 8.709985 283.1000       61.72993 0.000000       0.000000 283.1000       61.72993 ?        ?        73.82516 8.709985 ?              ?        
1 1 1 3   23 31 o 111.5666 5.157163 621.8087       56.16616 707.8000       80.74606 541.2000       78.17806 118.0445 7.019966 102.7048 7.835723 15.33978       10.52038 
1 1 1 3   23 32 o 33.90498 9.540258 61.93189       32.98749 55.48000       43.47191 70.69000       50.64893 32.86473 11.24002 36.36807 12.13314 -3.503345      16.53938 
1 1 1 3   23 33 o 29.91481 9.744093 46.41498       32.73498 20.09000       42.76654 83.66000       50.86912 26.21447 10.65119 38.85221 12.09058 -12.63775      16.11304 
1 1 1 3   23 34 o 41.34135 8.897982 92.22046       34.93930 87.42000       44.92337 99.57000       55.58541 39.55425 11.13443 41.78494 12.57022 -2.230686      16.79244 
1 1 1 3   23 35 o 72.04842 5.998629 264.0111       41.92068 264.6000       55.07437 263.2000       64.63671 71.08086 8.057697 69.89899 9.708934 1.181870       12.61705 
1 1 1 3   23 36 o 72.62463 5.988857 269.2279       42.19495 326.0000       55.76646 193.2000       64.53450 79.21369 7.273402 58.12717 11.74704 21.08652       13.81649 
1 1 1 3   23 37 f 46.14835 8.347508 115.1718       36.31911 97.75000       46.00257 144.0000       59.17590 41.09999 11.15296 49.27482 12.30654 -8.174831      16.60841 
1 1 1 3   23 38 o 35.29561 9.895386 70.86469       35.55705 113.2000       45.47852 4.291000       57.03039 44.25799 10.63151 26.12854 11.50033 18.12945       15.66162 
1 1 1 3   23 39 o 19.69085 8.687771 -2.980643      32.73107 0.7677000      40.33351 -10.21000      56.01395 22.15484 9.713904 24.31675 10.99798 -2.161915      14.67363 
1 1 1 3   23 40 o 73.94128 7.745267 293.1000       55.22615 293.1000       55.22615 0.000000       0.000000 73.94128 7.745267 ?        ?        ?              ?        
1 1 1 3   23 41 o 33.55328 11.25482 66.23000       43.57352 66.23000       43.57352 0.000000       0.000000 33.55328 11.25482 ?        ?        ?              ?        
1 1 1 3   23 42 o 97.64570 5.552351 490.6607       52.84972 491.4000       72.05535 489.8000       77.75077 95.52561 7.773328 94.55299 8.491179 0.9726257      11.51194 
1 1 1 3   23 43 o 44.23492 12.47531 125.6000       56.34023 0.000000       0.000000 125.6000       56.34023 ?        ?        44.23492 12.47531 ?              ?        
1 1 1 3   23 44 o 24.28211 9.364799 27.46391       31.49057 37.26000       40.46466 12.42000       50.14529 27.28728 10.59070 25.03007 10.90577 2.257215       15.20193 
1 1 1 3   23 45 o 58.56736 10.20308 202.9000       56.36697 0.000000       0.000000 202.9000       56.36697 ?        ?        58.56736 10.20308 ?              ?        
1 1 1 3   23 46 o 39.03112 8.137924 86.57311       30.08208 0.000000       0.000000 86.57311       30.08208 ?        ?        39.03112 8.137924 ?              ?        
1 1 1 3   23 47 o 40.34077 7.916350 92.00383       30.14222 0.000000       0.000000 92.00383       30.14222 ?        ?        40.34077 7.916350 ?              ?        
1 1 1 3   23 48 o 18.10239 8.006365 -1.335971      27.96023 0.000000       0.000000 -1.335971      27.96023 ?        ?        18.10239 8.006365 ?              ?        
1 1 1 3   23 49 o 28.09390 9.305431 46.22192       29.80402 0.000000       0.000000 46.22192       29.80402 ?        ?        28.09390 9.305431 ?              ?        
1 1 1 3   23 50 o 46.59793 9.838998 131.2000       43.46661 0.000000       0.000000 131.2000       43.46661 ?        ?        46.59793 9.838998 ?              ?        
1 1 1 3   23 51 o 27.56285 10.42222 42.95000       38.50753 0.000000       0.000000 42.95000       38.50753 ?        ?        27.56285 10.42222 ?              ?        
1 1 1 3   23 52 o 25.83503 10.77505 29.69000       45.29725 0.000000       0.000000 29.69000       45.29725 ?        ?        25.83503 10.77505 ?              ?        
1 1 1 3   23 53 o 26.71949 9.120171 41.83807       28.61786 0.000000       0.000000 41.83807       28.61786 ?        ?        26.71949 9.120171 ?              ?        
1 1 1 3   23 54 o 25.41094 9.019822 37.21648       28.13605 0.000000       0.000000 37.21648       28.13605 ?        ?        25.41094 9.019822 ?              ?        
1 1 1 3   23 55 o 28.24013 8.924711 48.80582       27.61027 0.000000       0.000000 48.80582       27.61027 ?        ?        28.24013 8.924711 ?              ?        
1 1 1 3   24 0  o 176.9558 3.949457 1535.516       68.40823 1462.000       134.4022 1561.220       79.47261 171.9649 8.006708 178.3153 4.556995 -6.350403      9.212686 
1 1 1 3   24 1  o 80.96944 3.523112 321.9677       27.85564 309.8000       57.76140 325.6551       31.79753 78.92381 7.569618 81.39222 4.003491 -2.468414      8.563122 
1 1 1 3   24 2  f 252.0138 5.080361 3118.455       125.3214 3132.000       251.3029 3113.972       144.5822 251.1108 10.24564 251.6957 5.868577 -0.5848846     11.80734 
1 1 1 3   24 3  o 69.34615 3.706495 236.4355       25.06752 193.4000       51.10793 250.0684       28.76526 61.98603 8.659404 71.28385 4.140417 -9.297821      9.598351 
1 1 1 3   24 4  o 110.4274 3.360272 598.2228       36.27870 568.5000       71.50629 608.5255       42.09935 107.2383 6.847991 111.3323 3.869087 -4.093971      7.865420 
1 1 1 3   24 5  o 74.01701 3.520611 269.1670       25.43367 271.0895       36.55874 267.3637       35.40622 74.12856 5.068984 73.62968 4.941311 0.4988861      7.078923 
1 1 1 3   24 6  o 169.2016 4.447605 1405.822       73.59701 1619.000       138.2608 1321.536       86.93734 180.9756 7.823479 163.9128 5.426079 17.06279       9.520986 
1 1 1 3   24 7  o 124.0263 3.414654 754.6171       41.41459 662.6288       56.36261 862.5660       61.05676 116.0557 4.973093 132.4716 4.716264 -16.41598      6.853816 
1 1 1 3   24 8  o 215.8191 6.408071 2294.777       135.2204 0.000000       0.000000 2294.777       135.2204 ?        ?        215.8191 6.408071 ?              ?        
1 1 1 3   24 9  o 315.7550 8.775604 4937.252       270.9644 4937.252       270.9644 0.000000       0.000000 315.7550 8.775604 ?        ?        ?              ?        
1 1 1 3   24 10 o 81.47850 3.891981 326.3700       30.95013 303.9942       38.96884 364.6000       50.93663 78.49902 5.099219 85.86449 6.100252 -7.365471      7.950793 
1 1 1 3   24 11 o 112.5111 3.328996 621.1285       36.62158 604.8833       51.41352 637.8594       52.17637 110.8807 4.748120 113.8754 4.691035 -2.994637      6.674613 
1 1 1 3   24 12 o 105.0182 4.367632 542.3640       44.79897 540.8000       66.00147 543.7000       61.00386 104.5665 6.480286 104.9313 5.964002 -0.3648376     8.807010 
1 1 1 3   24 13 o 88.16962 3.600280 381.9364       31.00609 370.8000       50.92760 388.4957       39.08480 86.56593 6.048406 88.82820 4.509978 -2.262268      7.544741 
1 1 1 3   24 14 o 217.3600 4.498886 2320.665       95.71740 2479.396       140.9567 2184.841       130.3897 224.1572 6.430962 210.4351 6.337444 13.72217       9.028869 
1 1 1 3   24 15 o 57.46222 3.518133 162.5845       19.69310 202.8743       29.09022 128.5000       26.75643 64.08237 4.669744 50.80770 5.466002 13.27467       7.189137 
1 1 1 3   24 16 o 149.2819 3.492973 1093.400       51.03976 1217.000       113.3882 1061.992       57.15785 156.6380 7.416509 147.0147 3.975645 9.623291       8.414889 
1 1 1 3   24 17 o 109.6907 3.021651 590.5087       32.41204 711.6000       80.64124 567.1778       35.39704 119.7528 6.908963 107.4635 3.369277 12.28931       7.686728 
1 1 1 3   24 18 o 120.7084 5.175449 719.0700       61.00726 659.2000       82.52976 791.2000       90.58657 115.0684 7.366055 126.1035 7.371027 -11.03513      10.42069 
1 1 1 3   24 19 o 92.37325 5.328251 422.1343       47.97227 476.7000       67.45655 366.3000       68.23624 97.79129 7.095482 85.36028 8.270316 12.43101       10.89697 
1 1 1 3   24 20 o 95.15886 5.225237 448.0427       48.48321 499.9000       68.11812 394.8000       69.02205 100.1143 6.995222 88.63313 8.043323 11.48114       10.65965 
1 1 1 3   24 21 o 126.6222 5.201422 792.9107       64.32984 803.2000       89.27879 781.8000       92.77412 126.8375 7.220920 124.9916 7.619175 1.845894       10.49731 
1 1 1 3   24 22 o 98.73822 5.234697 483.1951       50.41137 530.0000       70.28254 433.6000       72.34715 102.9215 7.018453 92.71684 8.051552 10.20470       10.68111 
1 1 1 3   24 23 o 59.04513 6.613706 175.6438       37.56786 177.1000       50.25895 173.8000       56.55447 58.58795 9.055649 57.57786 10.41814 1.010094       13.80371 
1 1 1 3   24 24 o 110.4784 5.178885 605.6973       55.84825 691.3000       79.77050 523.4000       78.21518 117.4024 6.973004 101.7347 7.916722 15.66766       10.54975 
1 1 1 3   24 25 o 88.94995 5.384708 393.9817       46.66328 395.8000       63.18344 391.8000       69.21143 88.50563 7.359874 87.74561 8.151567 0.7600250      10.98252 
1 1 1 3   24 26 o 70.56762 7.974411 254.8000       54.11822 254.8000       54.11822 0.000000       0.000000 70.56762 7.974411 ?        ?        ?              ?        
1 1 1 3   24 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   24 28 o 47.17580 8.024764 116.0656       35.73029 99.57000       47.38760 137.8000       54.39448 42.67327 11.20421 50.20717 11.33743 -7.533897      15.93963 
1 1 1 3   24 29 o 23.44702 10.42591 -10.93000      48.04660 0.000000       0.000000 -10.93000      48.04660 ?        ?        23.44702 10.42591 ?              ?        
1 1 1 3   24 30 o 60.08025 6.502239 183.9593       37.62984 189.3000       50.86064 177.5000       55.93361 59.94622 8.940895 57.35240 10.34406 2.593826       13.67257 
1 1 1 3   24 31 o 71.48971 5.808079 258.1438       40.29286 243.5000       53.46173 277.4000       61.30566 68.41146 8.143419 72.73077 8.789511 -4.319305      11.98210 
1 1 1 3   24 32 o 84.78738 5.354363 361.3437       44.21011 350.9000       58.73040 375.0000       67.15891 82.60534 7.339886 84.93010 8.179649 -2.324760      10.99002 
1 1 1 3   24 33 o 101.0693 5.251526 513.2449       51.77486 578.4000       71.66299 442.1000       74.88461 106.3116 6.924330 91.93086 8.415193 14.38072       10.89779 
1 1 1 3   24 34 o 31.97560 9.899287 55.34323       34.15060 22.94000       43.28051 108.8000       55.59038 26.54210 10.74026 43.34879 12.44760 -16.80668      16.44068 
1 1 1 3   24 35 o 59.35411 6.629399 182.2358       37.85818 168.0000       48.34749 204.8000       60.86847 55.63011 9.200181 60.58845 10.65217 -4.958340      14.07523 
1 1 1 3   24 36 o 58.31577 6.950583 177.8151       38.89470 167.6000       49.91788 193.6000       62.05199 55.06812 9.610216 58.05296 11.32688 -2.984848      14.85445 
1 1 1 3   24 37 o 30.78874 9.981853 52.60049       34.37409 77.82000       43.35546 9.916000       56.40409 36.51335 11.12653 26.59675 11.57767 9.916605       16.05746 
1 1 1 3   24 38 o 62.91748 6.410538 206.3919       38.92866 210.3000       49.71842 200.2000       62.58187 62.22867 8.374864 58.40466 11.35606 3.824017       14.11022 
1 1 1 3   24 39 o 56.25248 8.698186 174.6000       46.34978 174.6000       46.34978 0.000000       0.000000 56.25248 8.698186 ?        ?        ?              ?        
1 1 1 3   24 40 o 16.62904 7.799057 -25.63363      32.05196 -48.19000      38.33770 26.74000       58.41815 16.53753 7.968679 28.40291 12.06232 -11.86539      14.45681 
1 1 1 3   24 41 o 72.82480 9.684958 301.0000       67.32729 0.000000       0.000000 301.0000       67.32729 ?        ?        72.82480 9.684958 ?              ?        
1 1 1 3   24 42 o 33.23593 10.20246 65.46328       36.36696 52.89000       48.54129 81.55000       54.90614 30.80820 11.68961 35.93576 12.61391 -5.127560      17.19761 
1 1 1 3   24 43 o 21.10211 8.914198 10.32138       31.62189 -14.52000      40.47670 49.23000       50.65707 19.98225 9.157190 30.17811 11.81043 -10.19586      14.94457 
1 1 1 3   24 44 o 28.96086 9.417833 48.39584       30.58623 20.69000       38.76854 94.07000       49.77704 24.12537 10.00734 38.20318 11.97097 -14.07781      15.60291 
1 1 1 3   24 45 o 20.99382 9.657131 -14.06000      45.60199 0.000000       0.000000 -14.06000      45.60199 ?        ?        20.99382 9.657131 ?              ?        
1 1 1 3   24 46 o 60.81835 5.822776 195.1066       34.24057 0.000000       0.000000 195.1066       34.24057 ?        ?        60.81835 5.822776 ?              ?        
1 1 1 3   24 47 o 44.92675 7.472106 112.0940       31.70530 0.000000       0.000000 112.0940       31.70530 ?        ?        44.92675 7.472106 ?              ?        
1 1 1 3   24 48 o 37.28781 8.654701 81.36192       30.97834 0.000000       0.000000 81.36192       30.97834 ?        ?        37.28781 8.654701 ?              ?        
1 1 1 3   24 49 o 31.31069 10.75093 61.21000       39.78088 0.000000       0.000000 61.21000       39.78088 ?        ?        31.31069 10.75093 ?              ?        
1 1 1 3   24 50 o 30.82474 9.123919 56.89219       29.46862 0.000000       0.000000 56.89219       29.46862 ?        ?        30.82474 9.123919 ?              ?        
1 1 1 3   24 51 o 30.17475 11.47767 56.47000       46.86805 0.000000       0.000000 56.47000       46.86805 ?        ?        30.17475 11.47767 ?              ?        
1 1 1 3   24 52 o 15.81704 7.590512 -36.16000      33.97503 0.000000       0.000000 -36.16000      33.97503 ?        ?        15.81704 7.590512 ?              ?        
1 1 1 3   24 53 o 17.78533 7.879744 -0.3313189     27.19717 0.000000       0.000000 -0.3313189     27.19717 ?        ?        17.78533 7.879744 ?              ?        
1 1 1 3   24 54 o 24.14821 8.855589 32.84750       27.39170 0.000000       0.000000 32.84750       27.39170 ?        ?        24.14821 8.855589 ?              ?        
1 1 1 3   25 0  o 109.1167 3.361342 584.2271       35.85849 574.1000       74.34063 587.2977       40.93546 107.6854 7.092309 109.3614 3.830014 -1.675957      8.060388 
1 1 1 3   25 1  o 218.0891 4.552612 2334.818       97.18533 2159.000       186.2744 2400.576       113.9190 208.5733 9.146299 221.0266 5.265569 -12.45323      10.55372 
1 1 1 3   25 2  o 262.8312 5.267231 3394.588       135.5082 3522.000       277.0314 3354.516       155.3631 265.8560 10.66741 261.1003 6.079028 4.755615       12.27796 
1 1 1 3   25 3  o 208.2638 4.401348 2128.811       89.72338 2536.000       199.6306 2025.736       100.4396 226.1078 9.038188 203.0677 5.053099 23.04008       10.35484 
1 1 1 3   25 4  o 222.5408 4.622718 2431.455       100.6962 2478.000       203.0068 2416.266       115.9682 223.4035 9.303920 221.7272 5.343352 1.676270       10.72913 
1 1 1 3   25 5  o 239.0165 5.630432 2809.294       131.7273 3167.000       246.2658 2665.930       155.9058 252.3062 9.991472 232.4723 6.858985 19.83388       12.11921 
1 1 1 3   25 6  o 190.2688 4.150143 1776.473       77.29241 1589.481       103.2496 2014.848       116.5754 179.6435 5.879714 202.2771 5.894102 -22.63354      8.325351 
1 1 1 3   25 7  o 243.2840 5.716317 2911.742       136.1244 3196.000       250.8779 2793.136       162.0536 253.2900 10.13950 237.8800 6.967271 15.40994       12.30254 
1 1 1 3   25 8  o 123.7251 3.904078 751.8143       47.22138 716.4492       58.44627 818.3000       80.13705 120.6463 4.959793 128.7197 6.380249 -8.073418      8.081283 
1 1 1 3   25 9  o 162.1739 3.785168 1290.326       60.08589 1202.562       82.07561 1391.684       88.20348 156.2771 5.373521 168.1318 5.366441 -11.85461      7.594302 
1 1 1 3   25 10 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   25 11 o 84.98816 4.428043 355.7336       36.70929 319.9000       52.58374 389.8000       51.27071 80.23358 6.758369 88.76229 5.935228 -8.528709      8.994581 
1 1 1 3   25 12 o 143.7671 4.041142 1015.565       56.81181 1164.000       103.1480 950.9272       68.06654 153.3647 6.888731 138.9641 5.012298 14.40063       8.519258 
1 1 1 3   25 13 o 34.24363 5.999072 59.47147       19.37561 86.73129       26.63246 28.82000       28.24070 41.37254 6.813445 25.64947 9.042878 15.72307       11.32240 
1 1 1 3   25 14 o 51.18132 4.000038 129.4290       19.88021 170.2459       28.04961 88.23000       28.18056 58.61927 4.934318 41.65418 7.170328 16.96508       8.704084 
1 1 1 3   25 15 o 115.3963 4.386779 655.6271       49.45981 726.9000       80.67149 612.7000       62.60703 121.0143 6.838300 111.3045 5.766169 9.709763       8.944889 
1 1 1 3   25 16 o 51.41798 3.715612 130.5197       18.57430 0.000000       0.000000 130.5197       18.57430 ?        ?        51.41798 3.715612 ?              ?        
1 1 1 3   25 17 o 159.6882 4.276179 1255.195       66.77959 1557.000       134.0869 1155.645       77.00966 176.7367 7.769912 153.0219 5.148782 23.71487       9.321024 
1 1 1 3   25 18 o 125.1994 5.170907 774.6416       63.23235 889.4000       92.60504 674.4000       86.54984 133.6088 7.106542 116.1226 7.657272 17.48625       10.44685 
1 1 1 3   25 19 f 78.88232 5.573195 309.1537       42.75483 316.5000       58.29168 300.6000       62.89986 79.31844 7.600929 77.02603 8.482980 2.292412       11.39013 
1 1 1 3   25 20 o 68.08801 6.143304 231.8038       40.50300 284.0000       55.58108 172.7000       59.14466 75.00626 7.678737 57.31281 10.94182 17.69346       13.36737 
1 1 1 3   25 21 o 150.4060 5.412136 1121.485       79.54838 1158.000       111.7684 1084.000       113.2429 151.9332 7.539090 146.8065 7.909809 5.126724       10.92717 
1 1 1 3   25 22 o 58.83596 6.619833 174.7030       37.46301 169.3000       49.71866 181.8000       56.98247 57.12541 9.204400 58.86577 10.26235 -1.740360      13.78538 
1 1 1 3   25 23 o 109.4739 5.138076 595.1077       54.90402 609.1000       75.72544 579.6000       79.72054 110.0581 7.066669 107.1015 7.654934 2.956566       10.41805 
1 1 1 3   25 24 o 79.67834 5.616055 317.2944       43.51978 344.6000       58.59519 283.7000       64.99342 82.46571 7.335567 74.04863 9.162252 8.417084       11.73701 
1 1 1 3   25 25 o 121.1105 7.143884 741.3000       84.31191 741.3000       84.31191 0.000000       0.000000 121.1105 7.143884 ?        ?        ?              ?        
1 1 1 3   25 26 o 81.03140 5.559005 328.9070       43.82456 358.4000       59.48672 293.9000       64.80938 83.91726 7.315105 75.19675 8.982511 8.720505       11.58431 
1 1 1 3   25 27 o 57.74087 6.866469 170.3481       38.04896 190.3000       51.46697 146.3000       56.50372 60.21563 9.008374 51.61526 11.48045 8.600368       14.59286 
1 1 1 3   25 28 o 77.52543 8.473896 312.1000       63.25729 0.000000       0.000000 312.1000       63.25729 ?        ?        77.52543 8.473896 ?              ?        
1 1 1 3   25 29 o 66.03248 6.030042 220.8755       38.54517 173.8000       50.01957 289.7000       60.48037 57.19662 9.249946 74.57626 8.433072 -17.37964      12.51712 
1 1 1 3   25 30 o 108.3437 5.208959 588.0189       55.07906 677.1000       78.35368 501.0000       77.44144 115.2465 6.978553 98.37742 8.114226 16.86909       10.70238 
1 1 1 3   25 31 o 63.44387 6.212603 205.1280       38.08665 153.2000       48.73563 286.6000       61.04494 53.22045 9.713180 73.85265 8.605616 -20.63219      12.97700 
1 1 1 3   25 32 o 30.72321 9.628357 50.38955       32.20037 34.67000       40.29620 78.16000       53.55937 28.12488 10.65545 37.52013 12.47584 -9.395247      16.40686 
1 1 1 3   25 33 o 92.23530 5.300551 429.0611       47.65314 451.2000       62.92896 399.3000       72.96214 93.63685 6.914682 86.83653 8.701074 6.800316       11.11402 
1 1 1 3   25 34 o 56.45938 6.918557 166.0916       37.43657 128.7000       46.84228 232.2000       62.28438 47.88834 10.29923 64.84833 10.14461 -16.95999      14.45639 
1 1 1 3   25 35 o 43.19888 8.825990 102.6386       36.05783 71.50000       44.98466 158.6000       60.30579 35.33230 11.41607 51.74659 12.12019 -16.41429      16.65009 
1 1 1 3   25 36 o 64.04642 6.500291 213.8203       40.18674 216.0000       51.13681 210.3000       64.98554 63.06803 8.499763 59.89827 11.50201 3.169758       14.30183 
1 1 1 3   25 37 o 29.21955 9.723571 46.95187       32.53333 39.37000       39.84311 62.12000       56.35482 28.17656 10.61309 33.47427 12.61912 -5.297718      16.48878 
1 1 1 3   25 38 o 37.79872 10.60635 84.50000       40.83131 84.50000       40.83131 0.000000       0.000000 37.79872 10.60635 ?        ?        ?              ?        
1 1 1 3   25 39 o 40.16740 9.308838 92.38263       35.88309 94.91000       43.85046 87.26000       62.42895 39.73316 10.93280 37.22174 13.40990 2.511421       17.30178 
1 1 1 3   25 40 o 53.23257 12.05362 175.2000       61.34084 0.000000       0.000000 175.2000       61.34084 ?        ?        53.23257 12.05362 ?              ?        
1 1 1 3   25 41 o 25.97256 9.900890 33.24586       34.92321 -1.477000      46.32296 78.97000       53.15710 22.78374 10.17714 35.45930 12.41402 -12.67556      16.05248 
1 1 1 3   25 42 o 29.97409 9.731807 52.18067       32.66676 51.81000       42.76406 52.70000       50.61836 30.12217 11.06183 30.69645 11.86386 -0.5742798     16.22082 
1 1 1 3   25 43 o 20.23980 8.588280 8.521821       29.57142 -7.926000      37.25835 36.52000       48.61097 19.84550 8.973283 27.87288 11.34429 -8.027374      14.46418 
1 1 1 3   25 44 o 41.60665 11.93202 113.5000       51.11207 0.000000       0.000000 113.5000       51.11207 ?        ?        41.60665 11.93202 ?              ?        
1 1 1 3   25 45 o 18.14855 7.944342 1.084764       26.87913 0.000000       0.000000 1.084764       26.87913 ?        ?        18.14855 7.944342 ?              ?        
1 1 1 3   25 46 o 41.94032 7.854709 99.23964       31.06071 0.000000       0.000000 99.23964       31.06071 ?        ?        41.94032 7.854709 ?              ?        
1 1 1 3   25 47 o 21.17291 8.710105 15.77137       29.04149 0.000000       0.000000 15.77137       29.04149 ?        ?        21.17291 8.710105 ?              ?        
1 1 1 3   25 48 o 29.78541 10.69844 54.10000       39.70060 0.000000       0.000000 54.10000       39.70060 ?        ?        29.78541 10.69844 ?              ?        
1 1 1 3   25 49 o 15.40638 7.211625 -19.33815      27.18169 0.000000       0.000000 -19.33815      27.18169 ?        ?        15.40638 7.211625 ?              ?        
1 1 1 3   25 50 o 47.42815 11.25595 145.8000       51.46568 0.000000       0.000000 145.8000       51.46568 ?        ?        47.42815 11.25595 ?              ?        
1 1 1 3   25 51 o 48.96351 6.989345 132.3199       32.54815 0.000000       0.000000 132.3199       32.54815 ?        ?        48.96351 6.989345 ?              ?        
1 1 1 3   25 52 o 29.97847 9.092525 54.80365       28.99890 0.000000       0.000000 54.80365       28.99890 ?        ?        29.97847 9.092525 ?              ?        
1 1 1 3   25 53 o 19.58782 8.783697 -0.1956000     34.86949 0.000000       0.000000 -0.1956000     34.86949 ?        ?        19.58782 8.783697 ?              ?        
1 1 1 3   25 54 f 23.42229 8.786615 30.35935       27.24949 0.000000       0.000000 30.35935       27.24949 ?        ?        23.42229 8.786615 ?              ?        
1 1 1 3   26 0  o 124.5407 3.439190 761.2339       41.88492 836.7000       88.83953 739.6649       47.49484 130.0150 7.006711 122.7059 3.959531 7.309052       8.048098 
1 1 1 3   26 1  o 174.2972 4.593432 1493.295       78.29881 1483.000       135.1336 1498.498       96.06852 172.9333 8.004942 174.4102 5.634734 -1.476852      9.789245 
1 1 1 3   26 2  o 146.1845 3.608802 1048.255       51.63815 1162.000       109.8254 1015.973       58.50895 153.1945 7.345486 143.8025 4.161084 9.391983       8.442203 
1 1 1 3   26 3  o 137.2306 3.558203 924.3506       47.75529 801.3000       91.31416 970.6759       56.02805 127.1410 7.369045 140.5668 4.076387 -13.42578      8.421387 
1 1 1 3   26 4  o 262.4145 5.278419 3386.977       135.5807 3054.000       254.1336 3519.457       160.2990 247.1514 10.52905 267.2670 6.127442 -20.11560      12.18222 
1 1 1 3   26 5  o 125.8867 3.968360 778.5906       48.83761 0.000000       0.000000 778.5906       48.83761 ?        ?        125.8867 3.968360 ?              ?        
1 1 1 3   26 6  o 207.6796 5.090632 2121.102       103.4837 2099.354       127.5445 2163.000       177.0295 206.2475 6.325290 208.5884 8.689636 -2.340820      10.74798 
1 1 1 3   26 7  o 145.3864 4.138648 1038.718       58.83640 1027.589       73.21937 1059.000       98.84828 144.4367 5.187381 146.2680 6.923857 -1.831345      8.651516 
1 1 1 3   26 8  o 206.3736 5.053587 2094.984       102.0846 2305.000       188.3581 2007.639       121.4718 215.1317 8.964502 201.6869 6.160285 13.44482       10.87710 
1 1 1 3   26 9  o 185.8733 4.088002 1696.711       74.37627 1743.169       107.1763 1653.555       103.2987 187.9778 5.831922 183.0927 5.771122 4.885162       8.204703 
1 1 1 3   26 10 f 218.1577 6.519371 2352.690       139.0576 2690.000       210.6121 2092.000       185.1530 232.1132 9.288706 204.6597 9.266596 27.45348       13.12059 
1 1 1 3   26 11 o 80.86649 4.192523 322.1812       33.07233 358.9405       39.87819 241.2000       59.18947 85.28323 4.796444 69.02608 8.972557 16.25714       10.17412 
1 1 1 3   26 12 o 117.8847 3.786957 683.1967       43.64054 782.7000       77.46954 636.9427       52.81853 125.6994 6.316633 113.6703 4.757671 12.02908       7.907926 
1 1 1 3   26 13 o 158.3601 4.195952 1233.794       64.98299 1343.400       84.48390 1075.000       101.6890 165.0118 5.237248 147.0900 7.083746 17.92175       8.809553 
1 1 1 3   26 14 o 125.8445 3.927917 779.1096       48.32489 774.6702       57.33462 790.0000       89.80029 125.3490 4.681162 125.9246 7.317045 -0.5756226     8.686336 
1 1 1 3   26 15 o 124.6628 3.290820 763.5499       40.12060 721.4000       83.22177 776.3123       45.79348 120.3164 7.098065 125.6323 3.728006 -5.315994      8.017516 
1 1 1 3   26 16 o 67.71698 3.018613 225.5238       19.95806 278.9000       52.12125 216.3529       21.60470 74.53413 7.235110 66.28622 3.340573 8.247910       7.969080 
1 1 1 3   26 17 f 84.10817 3.549061 348.3427       29.15282 471.3000       63.86853 315.9828       32.76523 97.14170 6.759156 79.99908 4.198995 17.14262       7.957244 
1 1 1 3   26 18 o 64.58628 6.147944 208.8541       38.39834 193.3000       50.95193 229.3000       58.41727 61.41216 8.721113 66.83259 9.171548 -5.420429      12.65603 
1 1 1 3   26 19 o 30.41978 9.788337 46.24675       33.09346 32.39000       43.78484 64.71000       50.54139 29.10521 11.08826 36.07074 12.12156 -6.965538      16.42808 
1 1 1 3   26 20 o 128.1187 5.220051 814.3745       65.32555 943.6000       94.58221 696.5000       90.33276 137.1673 7.068379 117.4306 7.904886 19.73676       10.60421 
1 1 1 3   26 21 o 56.98618 6.812326 164.5790       37.24704 207.8000       50.08566 111.1000       55.71312 63.66780 8.229168 45.26105 12.27025 18.40674       14.77424 
1 1 1 3   26 22 o 53.61367 7.163101 146.7575       36.65119 126.4000       47.69990 176.1000       57.26699 48.66623 10.33315 57.57669 10.55002 -8.910461      14.76743 
1 1 1 3   26 23 o 54.75243 7.290072 153.5422       38.09985 205.6000       49.80354 80.09000       59.15881 63.12847 8.257652 39.09451 13.11406 24.03396       15.49733 
1 1 1 3   26 24 o 71.00404 7.921720 259.0000       54.11975 259.0000       54.11975 0.000000       0.000000 71.00404 7.921720 ?        ?        ?              ?        
1 1 1 3   26 25 o 75.51547 5.699338 286.5021       41.81663 316.6000       56.51929 250.1000       62.15723 78.71866 7.422850 68.98132 9.454104 9.737343       12.01993 
1 1 1 3   26 26 o 51.59061 11.13980 145.9000       54.60521 0.000000       0.000000 145.9000       54.60521 ?        ?        51.59061 11.13980 ?              ?        
1 1 1 3   26 27 o 78.96606 8.503495 324.5000       64.69225 0.000000       0.000000 324.5000       64.69225 ?        ?        78.96606 8.503495 ?              ?        
1 1 1 3   26 28 o 78.89587 5.591353 313.5178       42.89972 297.4000       56.53285 335.4000       65.87085 75.87022 7.719832 80.16475 8.525270 -4.294525      11.50113 
1 1 1 3   26 29 o 55.28757 6.983488 157.6618       36.95097 170.4000       48.03595 139.2000       57.82938 56.62800 8.964345 49.60862 12.03394 7.019375       15.00584 
1 1 1 3   26 30 o 81.79589 5.524757 337.6299       43.97395 360.3000       58.25379 307.6000       67.04610 83.65794 7.183428 76.07825 9.189363 7.579681       11.66388 
1 1 1 3   26 31 o 68.93503 5.871226 241.5396       39.23975 214.6000       49.70551 286.1000       63.92696 63.87529 8.134239 73.26665 9.110193 -9.391357      12.21317 
1 1 1 3   26 32 o 62.84398 6.160825 202.4748       37.41090 170.4000       46.76313 259.5000       62.35267 56.32065 8.767883 69.26318 9.442641 -12.94252      12.88562 
1 1 1 3   26 33 o 56.64171 6.859116 167.3057       37.25483 177.3000       47.48236 151.3000       60.08864 57.28981 8.743979 50.63266 12.25704 6.657143       15.05630 
1 1 1 3   26 34 o 117.6330 5.274810 701.7889       60.58096 713.6000       81.61969 687.3000       90.40042 116.9141 7.166609 113.6701 8.179594 3.244003       10.87502 
1 1 1 3   26 35 o 45.61611 8.383574 114.1727       36.05392 104.9000       44.71637 131.4000       60.94986 42.28990 10.77378 45.83578 12.99242 -3.545887      16.87831 
1 1 1 3   26 36 o 31.73438 9.605640 57.22617       32.38698 54.30000       39.72100 63.03000       55.94069 31.12447 10.74064 33.50060 12.58479 -2.376127      16.54504 
1 1 1 3   26 37 o 40.78799 10.49228 98.34000       42.12751 98.34000       42.12751 0.000000       0.000000 40.78799 10.49228 ?        ?        ?              ?        
1 1 1 3   26 38 o 55.02155 7.050932 161.7527       37.10228 168.7000       47.02794 150.3000       60.38108 54.77463 9.089926 48.75728 12.57124 6.017345       15.51331 
1 1 1 3   26 39 f 54.08589 11.81628 179.7000       60.80270 0.000000       0.000000 179.7000       60.80270 ?        ?        54.08589 11.81628 ?              ?        
1 1 1 3   26 40 o 24.45019 9.736512 25.43197       34.97347 58.29000       46.28113 -18.31000      53.39891 31.58061 11.52207 22.51076 10.38917 9.069857       15.51428 
1 1 1 3   26 41 o 47.85154 7.876853 126.8258       35.61133 151.5000       46.84072 93.03000       54.81923 50.89967 9.756580 37.68894 12.62367 13.21073       15.95455 
1 1 1 3   26 42 o 67.27406 5.931361 237.6720       38.65825 251.5000       51.00213 219.0000       59.26580 67.55063 7.860166 60.63984 10.35638 6.910789       13.00141 
1 1 1 3   26 43 o 37.79623 12.07983 94.69000       50.46366 0.000000       0.000000 94.69000       50.46366 ?        ?        37.79623 12.07983 ?              ?        
1 1 1 3   26 44 o 32.42066 8.803661 61.97014       28.65203 0.000000       0.000000 61.97014       28.65203 ?        ?        32.42066 8.803661 ?              ?        
1 1 1 3   26 45 o 20.45203 8.427039 13.76913       27.24183 0.000000       0.000000 13.76913       27.24183 ?        ?        20.45203 8.427039 ?              ?        
1 1 1 3   26 46 o 48.82676 7.188364 131.6599       33.32827 0.000000       0.000000 131.6599       33.32827 ?        ?        48.82676 7.188364 ?              ?        
1 1 1 3   26 47 o 29.87955 10.66954 54.75000       39.42495 0.000000       0.000000 54.75000       39.42495 ?        ?        29.87955 10.66954 ?              ?        
1 1 1 3   26 48 o 15.86676 7.406142 -18.47016      28.33576 0.000000       0.000000 -18.47016      28.33576 ?        ?        15.86676 7.406142 ?              ?        
1 1 1 3   26 49 o 32.14903 9.327448 63.02086       31.06449 0.000000       0.000000 63.02086       31.06449 ?        ?        32.14903 9.327448 ?              ?        
1 1 1 3   26 50 o 13.45049 6.520600 -36.80151      26.65418 0.000000       0.000000 -36.80151      26.65418 ?        ?        13.45049 6.520600 ?              ?        
1 1 1 3   26 51 o 33.63026 8.813705 68.33608       29.35880 0.000000       0.000000 68.33608       29.35880 ?        ?        33.63026 8.813705 ?              ?        
1 1 1 3   26 52 o 28.10814 9.104216 48.42277       28.59920 0.000000       0.000000 48.42277       28.59920 ?        ?        28.10814 9.104216 ?              ?        
1 1 1 3   26 53 o 32.79684 8.737125 65.99746       28.55062 0.000000       0.000000 65.99746       28.55062 ?        ?        32.79684 8.737125 ?              ?        
1 1 1 3   27 0  o 153.5595 3.691550 1157.404       55.48705 1086.000       109.5962 1182.015       64.34284 147.8708 7.597402 155.0543 4.243446 -7.183502      8.702147 
1 1 1 3   27 1  o 92.83743 3.431925 423.4468       31.13285 446.1000       65.82925 416.9203       35.33415 94.69647 7.154904 92.06279 3.930110 2.633682       8.163236 
1 1 1 3   27 2  o 122.7219 3.437548 739.5343       41.25238 938.6000       93.04573 690.8319       46.02285 137.6082 6.930204 118.5422 3.971988 19.06602       7.987767 
1 1 1 3   27 3  o 119.9388 3.457841 706.4478       40.55249 551.7000       77.44537 764.9056       47.59974 105.2587 7.567267 124.7494 3.902965 -19.49063      8.514498 
1 1 1 3   27 4  o 129.6192 5.045009 828.1227       63.88627 0.000000       0.000000 828.1227       63.88627 ?        ?        129.6192 5.045009 ?              ?        
1 1 1 3   27 5  o 74.70301 4.234433 275.0952       30.83596 265.0000       58.25923 279.0239       36.34423 72.55856 8.355313 75.13530 4.969728 -2.576736      9.721598 
1 1 1 3   27 6  o 121.8050 3.930524 729.4803       46.80074 742.3000       84.59135 723.8253       56.18263 122.2400 7.100350 121.2037 4.744823 1.036324       8.539808 
1 1 1 3   27 7  o 101.9649 3.378932 510.7952       33.67722 552.5197       50.10987 476.4254       45.47964 105.8420 4.849696 98.28499 4.741401 7.557053       6.782362 
1 1 1 3   27 8  o 136.8500 4.928189 923.3416       65.90658 0.000000       0.000000 923.3416       65.90658 ?        ?        136.8500 4.928189 ?              ?        
1 1 1 3   27 9  o 105.8200 4.692836 552.2690       48.48727 0.000000       0.000000 552.2690       48.48727 ?        ?        105.8200 4.692836 ?              ?        
1 1 1 3   27 10 o 84.00484 3.373977 347.0005       27.68651 371.4458       39.77600 324.0252       38.56151 86.73078 4.702939 80.95824 4.888947 5.772537       6.783763 
1 1 1 3   27 11 o 61.20590 4.575622 185.4524       27.21419 214.5764       32.23574 113.2000       50.77361 65.78595 5.044573 46.36209 11.29423 19.42386       12.36961 
1 1 1 3   27 12 o 47.17841 6.305722 112.1323       28.39103 112.1323       28.39103 0.000000       0.000000 47.17841 6.305722 ?        ?        ?              ?        
1 1 1 3   27 13 o 62.73708 3.608359 194.0796       22.06502 168.6350       31.13794 219.7434       31.27178 58.15457 5.536893 66.58276 4.831132 -8.428192      7.348266 
1 1 1 3   27 14 o 128.8186 3.826473 816.9800       48.19496 930.5000       86.40491 765.7111       58.06701 136.7483 6.473588 124.5010 4.773707 12.24728       8.043359 
1 1 1 3   27 15 o 132.5702 3.777303 865.4236       48.96560 896.2000       92.81506 853.5544       57.63932 133.8822 7.108020 131.4928 4.484838 2.389343       8.404625 
1 1 1 3   27 16 o 100.7925 3.074068 499.5403       30.29283 485.3000       66.40645 503.2823       34.04105 98.40507 6.938729 101.1093 3.444612 -2.704224      7.746697 
1 1 1 3   27 17 o 52.92622 3.424893 138.3510       17.64761 0.000000       0.000000 138.3510       17.64761 ?        ?        52.92622 3.424893 ?              ?        
1 1 1 3   27 18 o 52.57390 7.239941 140.9313       36.26911 91.10000       46.94725 214.7000       57.12088 41.25346 11.29680 64.36710 9.338557 -23.11364      14.65695 
1 1 1 3   27 19 o 70.94437 5.915626 252.1914       40.70594 239.7000       53.41150 269.5000       62.87247 68.45127 8.130260 72.26129 9.089548 -3.810020      12.19512 
1 1 1 3   27 20 o 89.84244 5.430555 402.6285       47.53345 458.7000       64.70625 336.9000       70.05705 95.34652 6.981621 80.80689 9.010335 14.53963       11.39865 
1 1 1 3   27 21 o 104.1349 5.282222 540.6107       53.66589 606.2000       74.23306 468.8000       77.67387 109.5660 6.957679 95.62324 8.383329 13.94279       10.89447 
1 1 1 3   27 22 o 99.35100 7.111730 500.5000       68.70236 500.5000       68.70236 0.000000       0.000000 99.35100 7.111730 ?        ?        ?              ?        
1 1 1 3   27 23 o 73.63770 7.803599 278.6000       55.39221 278.6000       55.39221 0.000000       0.000000 73.63770 7.803599 ?        ?        ?              ?        
1 1 1 3   27 24 o 31.74549 9.673427 53.19858       32.77092 51.72000       42.60806 55.34000       51.27678 32.13480 11.12248 33.70375 12.15186 -1.568954      16.47353 
1 1 1 3   27 25 o 84.60640 8.313928 371.1000       67.96357 0.000000       0.000000 371.1000       67.96357 ?        ?        84.60640 8.313928 ?              ?        
1 1 1 3   27 26 o 57.59112 6.765123 170.1260       37.40983 157.3000       49.14377 187.8000       57.68857 54.12597 9.628834 58.85429 10.39390 -4.728317      14.16854 
1 1 1 3   27 27 o 67.80173 6.115397 233.4777       40.14980 241.8000       52.92984 222.2000       61.61557 68.10690 8.098058 64.17568 10.14561 3.931221       12.98121 
1 1 1 3   27 28 o 62.79021 6.431417 201.6611       38.97008 175.5000       50.20923 241.3000       61.80392 57.22883 9.280803 67.03486 9.700783 -9.806026      13.42529 
1 1 1 3   27 29 o 51.76414 7.495972 140.2153       36.87656 150.2000       47.10014 124.4000       59.27774 52.65088 9.488197 46.26603 12.70376 6.384850       15.85596 
1 1 1 3   27 30 o 70.89407 5.879959 255.8178       40.43612 243.9000       51.91491 274.2000       64.47520 68.16342 7.928798 71.34410 9.466058 -3.180679      12.34796 
1 1 1 3   27 31 o 71.69596 5.844917 262.3472       40.66286 282.9000       52.91244 232.7000       63.54983 73.55250 7.452162 64.76870 10.37407 8.783798       12.77325 
1 1 1 3   27 32 f 81.70126 5.547208 339.9700       44.09875 344.2000       56.88663 333.6000       69.80846 81.11779 7.240572 78.27566 9.292288 2.842133       11.78017 
1 1 1 3   27 33 o 89.71852 5.415873 410.2570       47.34016 405.4000       61.53540 417.3000       74.09999 87.85111 7.219669 87.78170 8.739989 0.6941223E-01  11.33627 
1 1 1 3   27 34 o 60.98341 6.468918 194.4552       38.02617 142.9000       47.20902 289.7000       64.16663 50.03067 9.990108 72.30866 9.279578 -22.27799      13.63498 
1 1 1 3   27 35 o 43.78261 8.447883 106.1607       34.89228 110.0000       42.80696 98.56000       60.23081 43.47331 10.23114 39.47486 13.23223 3.998451       16.72627 
1 1 1 3   27 36 o 77.57330 7.221410 320.4000       54.20301 320.4000       54.20301 0.000000       0.000000 77.57330 7.221410 ?        ?        ?              ?        
1 1 1 3   27 37 o 21.04688 9.007630 7.083257       33.02413 48.50000       41.39130 -65.46000      54.77970 29.71232 10.88752 19.45457 9.411318 10.25775       14.39135 
1 1 1 3   27 38 o 81.22750 8.991541 369.1000       70.29406 0.000000       0.000000 369.1000       70.29406 ?        ?        81.22750 8.991541 ?              ?        
1 1 1 3   27 39 o 33.96916 10.02540 68.74007       35.62211 61.13000       47.26145 78.75000       54.20361 32.07455 11.65225 35.26437 12.51912 -3.189823      17.10273 
1 1 1 3   27 40 o 59.99807 6.565522 191.9210       37.92905 159.5000       49.61772 237.5000       58.83100 51.85423 10.13914 63.94932 9.702867 -12.09509      14.03381 
1 1 1 3   27 41 o 40.21393 8.619764 92.88314       32.90991 91.79000       41.78093 94.67000       53.41761 38.48387 10.70362 37.79530 12.45528 0.6885681      16.42259 
1 1 1 3   27 42 o 28.30081 11.40965 41.78000       48.64305 0.000000       0.000000 41.78000       48.64305 ?        ?        28.30081 11.40965 ?              ?        
1 1 1 3   27 43 o 19.21921 8.246158 6.250545       27.80538 0.000000       0.000000 6.250545       27.80538 ?        ?        19.21921 8.246158 ?              ?        
1 1 1 3   27 44 o 21.50786 8.625238 18.77580       27.64143 0.000000       0.000000 18.77580       27.64143 ?        ?        21.50786 8.625238 ?              ?        
1 1 1 3   27 45 o 23.75650 9.094544 28.37102       29.54766 0.000000       0.000000 28.37102       29.54766 ?        ?        23.75650 9.094544 ?              ?        
1 1 1 3   27 46 o 33.99723 10.87754 74.44000       40.90985 0.000000       0.000000 74.44000       40.90985 ?        ?        33.99723 10.87754 ?              ?        
1 1 1 3   27 47 o 18.23468 8.086622 -0.9454291     28.71223 0.000000       0.000000 -0.9454291     28.71223 ?        ?        18.23468 8.086622 ?              ?        
1 1 1 3   27 48 o 36.38637 8.809745 78.94599       31.03803 0.000000       0.000000 78.94599       31.03803 ?        ?        36.38637 8.809745 ?              ?        
1 1 1 3   27 49 o 15.87018 7.363294 -15.27541      27.35461 0.000000       0.000000 -15.27541      27.35461 ?        ?        15.87018 7.363294 ?              ?        
1 1 1 3   27 50 o 39.53885 8.197427 91.42120       30.68309 0.000000       0.000000 91.42120       30.68309 ?        ?        39.53885 8.197427 ?              ?        
1 1 1 3   27 51 o 19.84381 8.286026 13.03677       26.83359 0.000000       0.000000 13.03677       26.83359 ?        ?        19.84381 8.286026 ?              ?        
1 1 1 3   27 52 o 22.05544 8.627688 24.31316       27.02316 0.000000       0.000000 24.31316       27.02316 ?        ?        22.05544 8.627688 ?              ?        
1 1 1 3   28 0  o 103.2241 3.353590 523.6201       33.83923 613.6000       74.85262 500.5067       37.93728 111.0437 6.921042 100.8515 3.850134 10.19215       7.919871 
1 1 1 3   28 1  o 97.59945 3.412246 468.2424       32.54807 488.0000       68.82816 462.5516       36.93934 98.92024 7.156842 96.93877 3.900977 1.981476       8.150951 
1 1 1 3   28 2  o 95.82378 3.408592 451.3871       31.91996 494.4000       68.70081 439.5455       36.04702 99.58054 7.094720 94.49110 3.905797 5.089439       8.098783 
1 1 1 3   28 3  o 84.43700 3.516801 350.7314       29.00248 307.9000       61.22665 363.1223       32.93149 78.20920 8.115752 85.86424 3.928666 -7.655045      9.016643 
1 1 1 3   28 4  o 82.43044 5.273203 336.4846       42.32381 277.6000       58.46967 401.3000       61.34352 74.19260 8.187256 89.66216 7.046191 -15.46957      10.80185 
1 1 1 3   28 5  o 107.7486 3.842363 571.3207       40.45948 681.1000       77.31622 529.9218       47.47933 117.0109 6.779564 103.6248 4.693137 13.38608       8.245485 
1 1 1 3   28 6  o 142.8812 4.129182 1005.006       57.68855 0.000000       0.000000 1005.006       57.68855 ?        ?        142.8812 4.129182 ?              ?        
1 1 1 3   28 7  o 57.92244 4.712492 166.3849       26.48734 214.6000       51.36934 148.9236       30.91375 65.05647 8.252326 54.56852 5.880388 10.48795       10.13311 
1 1 1 3   28 8  o 154.4473 4.256780 1175.077       64.29145 988.3000       104.7158 1288.078       81.45004 140.6044 7.637314 161.4651 5.160175 -20.86070      9.217156 
1 1 1 3   28 9  o 75.39289 4.064134 280.5203       29.88108 296.2000       54.02488 273.6094       35.86665 76.79442 7.273875 74.30388 4.959832 2.490540       8.803930 
1 1 1 3   28 10 o 51.09861 5.116888 130.2058       25.24906 129.7000       45.39901 130.4323       30.38117 49.89983 9.643815 50.91928 6.224874 -1.019455      11.47834 
1 1 1 3   28 11 o 106.2603 3.274863 555.3160       34.02137 558.0307       48.09148 552.5965       48.13553 106.2614 4.634814 105.7357 4.662375 0.5257339      6.574135 
1 1 1 3   28 12 o 142.7598 4.155287 1004.975       58.00304 963.0334       68.61411 1110.000       108.5772 139.5018 5.033148 148.8137 7.477965 -9.311859      9.014019 
1 1 1 3   28 13 o 64.61321 3.568390 206.0047       22.48072 185.3317       31.86197 226.4986       31.72355 60.94480 5.396816 67.53949 4.830529 -6.594688      7.242903 
1 1 1 3   28 14 o 28.07362 7.407740 40.90223       20.64798 33.57000       43.05679 43.09200       23.53011 29.14221 11.02040 28.83995 8.036737 0.3022614      13.63959 
1 1 1 3   28 15 o 41.24364 4.805147 85.23579       19.03567 145.1000       49.22324 74.70852       20.64165 52.50142 9.942318 38.39496 5.662171 14.10646       11.44158 
1 1 1 3   28 16 o 95.53929 3.431221 449.8477       32.03547 0.000000       0.000000 449.8477       32.03547 ?        ?        95.53929 3.431221 ?              ?        
1 1 1 3   28 17 f 83.15774 3.148584 340.6575       25.58227 347.6000       57.02368 338.9081       28.62448 82.92273 7.093536 82.87309 3.536858 0.4963684E-01  7.926388 
1 1 1 3   28 18 o 80.12329 5.601402 321.1454       43.65335 371.1000       59.24259 261.8000       64.57138 85.60204 7.135224 70.82327 9.558236 14.77877       11.92775 
1 1 1 3   28 19 o 98.02607 5.368821 479.7987       51.31749 540.9000       70.66048 411.6000       74.65166 103.3861 7.024168 89.35840 8.642641 14.02770       11.13706 
1 1 1 3   28 20 o 62.84660 6.461567 200.3136       39.18330 190.5000       50.81978 214.7000       61.53105 60.36380 8.864959 63.51285 10.24612 -3.149052      13.54882 
1 1 1 3   28 21 o 49.94126 9.948874 133.9000       46.92506 133.9000       46.92506 0.000000       0.000000 49.94126 9.948874 ?        ?        ?              ?        
1 1 1 3   28 22 o 77.28559 5.651041 300.3369       42.45424 334.8000       57.42629 258.8000       63.04503 80.90848 7.330682 70.06355 9.432281 10.84492       11.94600 
1 1 1 3   28 23 o 56.63309 6.809702 164.4332       36.99249 198.2000       49.72950 122.6000       55.35148 61.53268 8.482013 46.73932 12.02873 14.79336       14.71852 
1 1 1 3   28 24 o 48.81593 11.70413 133.5000       55.20002 0.000000       0.000000 133.5000       55.20002 ?        ?        48.81593 11.70413 ?              ?        
1 1 1 3   28 25 o 62.61724 6.426102 200.1695       38.82827 213.0000       51.26156 182.9000       59.47151 63.70720 8.426944 57.67767 10.93409 6.029530       13.80462 
1 1 1 3   28 26 o 52.15044 7.490304 141.8531       37.13944 136.0000       47.36124 151.2000       59.85006 49.88942 10.04647 51.59710 12.06690 -1.707676      15.70164 
1 1 1 3   28 27 o 92.38953 5.384293 430.0852       48.48100 419.4000       63.60533 444.9000       74.89463 90.18249 7.267000 92.12978 8.397290 -1.947289      11.10512 
1 1 1 3   28 28 o 59.82382 6.707778 184.6252       38.60320 222.8000       49.63773 126.2000       61.40778 65.14385 7.948949 46.31574 13.01099 18.82811       15.24702 
1 1 1 3   28 29 o 66.68871 6.144869 227.9406       39.66098 233.5000       51.20026 219.6000       62.71290 66.47898 8.030869 62.83240 10.57184 3.646580       13.27624 
1 1 1 3   28 30 o 54.17041 7.003035 153.6876       36.26450 124.1000       45.43860 205.6000       60.18740 46.94234 10.18257 60.51612 10.54381 -13.57378      14.65799 
1 1 1 3   28 31 o 33.00045 9.734661 61.24978       33.59288 61.29000       41.19955 61.17000       58.02478 33.01155 10.94094 33.83165 12.79342 -0.8200989     16.83376 
1 1 1 3   28 32 o 48.73071 7.870238 128.4144       36.26138 134.0000       44.65439 117.6000       62.13452 48.65693 9.716279 43.12786 13.35291 5.529068       16.51382 
1 1 1 3   28 33 o 34.65832 9.390058 68.55843       32.63973 48.74000       39.54745 110.9000       57.80527 29.94822 10.68698 42.00195 12.85705 -12.05373      16.71872 
1 1 1 3   28 34 o 58.30187 6.607647 179.1651       37.04409 156.5000       44.92678 227.3000       65.47224 52.90292 8.997859 62.00321 11.19998 -9.100296      14.36666 
1 1 1 3   28 35 f 29.06561 10.59917 45.70000       39.15690 45.70000       39.15690 0.000000       0.000000 29.06561 10.59917 ?        ?        ?              ?        
1 1 1 3   28 36 o 42.32806 8.922321 101.7748       35.79977 82.69000       44.72683 135.8000       59.72063 36.75253 11.32042 45.86971 12.81134 -9.117188      17.09627 
1 1 1 3   28 37 o 68.76723 9.901338 272.8000       64.72881 0.000000       0.000000 272.8000       64.72881 ?        ?        68.76723 9.901338 ?              ?        
1 1 1 3   28 38 o 40.00507 9.388899 93.47807       36.12971 142.1000       48.19928 31.12000       54.58467 48.74714 10.41756 27.93470 11.75121 20.81244       15.70403 
1 1 1 3   28 39 o 46.93142 7.806075 122.2265       34.60025 86.27000       44.67889 176.1000       54.68918 36.99708 11.29923 53.90819 10.74164 -16.91111      15.59024 
1 1 1 3   28 40 o 16.93616 7.796788 -14.43809      29.80734 -23.53000      37.68098 0.7638000      48.72406 18.19900 8.509761 23.17020 10.38715 -4.971203      13.42792 
1 1 1 3   28 41 o 27.09299 11.13637 34.90000       47.42377 0.000000       0.000000 34.90000       47.42377 ?        ?        27.09299 11.13637 ?              ?        
1 1 1 3   28 42 o 36.49890 8.722713 78.31880       30.73732 0.000000       0.000000 78.31880       30.73732 ?        ?        36.49890 8.722713 ?              ?        
1 1 1 3   28 43 o 20.47665 8.500603 13.19819       28.00452 0.000000       0.000000 13.19819       28.00452 ?        ?        20.47665 8.500603 ?              ?        
1 1 1 3   28 44 o 36.68858 8.841146 79.86870       31.37367 0.000000       0.000000 79.86870       31.37367 ?        ?        36.68858 8.841146 ?              ?        
1 1 1 3   28 45 o 45.26875 10.15458 126.8000       43.88463 0.000000       0.000000 126.8000       43.88463 ?        ?        45.26875 10.15458 ?              ?        
1 1 1 3   28 46 o 41.70935 11.95709 118.1000       51.33610 0.000000       0.000000 118.1000       51.33610 ?        ?        41.70935 11.95709 ?              ?        
1 1 1 3   28 47 o 22.77960 8.968335 24.51034       29.35967 0.000000       0.000000 24.51034       29.35967 ?        ?        22.77960 8.968335 ?              ?        
1 1 1 3   28 48 o 27.20737 9.187287 43.95912       29.03296 0.000000       0.000000 43.95912       29.03296 ?        ?        27.20737 9.187287 ?              ?        
1 1 1 3   28 49 o 26.73438 9.106705 42.60941       28.53097 0.000000       0.000000 42.60941       28.53097 ?        ?        26.73438 9.106705 ?              ?        
1 1 1 3   28 50 o 16.70158 7.573490 -6.268248      26.77028 0.000000       0.000000 -6.268248      26.77028 ?        ?        16.70158 7.573490 ?              ?        
1 1 1 3   28 51 o 20.34716 8.412123 15.89480       27.26847 0.000000       0.000000 15.89480       27.26847 ?        ?        20.34716 8.412123 ?              ?        
1 1 1 3   29 0  o 199.7043 4.306564 1964.492       84.18305 1967.000       170.6651 1963.685       96.77554 197.6181 8.845329 199.4553 4.956941 -1.837250      10.13958 
1 1 1 3   29 1  o 116.3490 3.406283 665.7737       38.75092 661.4000       79.70491 667.1276       44.34459 115.0292 7.113791 116.3796 3.898262 -1.350395      8.111872 
1 1 1 3   29 2  f 108.7672 3.887759 582.8013       41.32420 0.000000       0.000000 582.8013       41.32420 ?        ?        108.7672 3.887759 ?              ?        
1 1 1 3   29 3  o 101.0966 3.928514 503.6994       38.80108 463.7000       68.33128 522.7344       47.13786 96.16465 7.314218 102.8408 4.695104 -6.676170      8.691478 
1 1 1 3   29 4  o 109.9013 3.902157 595.1328       41.91063 0.000000       0.000000 595.1328       41.91063 ?        ?        109.9013 3.902157 ?              ?        
1 1 1 3   29 5  o 89.16361 3.465502 391.4136       30.18785 380.5000       62.74847 394.7003       34.43470 86.98336 7.441297 89.46005 3.942109 -2.476692      8.420993 
1 1 1 3   29 6  o 169.2249 5.482188 1419.086       90.68819 0.000000       0.000000 1419.086       90.68819 ?        ?        169.2249 5.482188 ?              ?        
1 1 1 3   29 7  o 139.2377 4.105670 955.9516       55.89492 900.1000       96.85308 983.8426       68.44281 133.9787 7.414266 141.0141 4.966352 -7.035416      8.923901 
1 1 1 3   29 8  o 49.27949 4.666765 120.9469       22.24246 139.3000       49.26180 116.2473       24.92813 51.48059 10.13692 48.16543 5.379203 3.315163       11.47575 
1 1 1 3   29 9  o 136.5287 4.074392 919.4559       54.38845 1100.000       103.3785 850.3567       63.95507 148.1701 7.149027 131.0344 4.995506 17.13567       8.721449 
1 1 1 3   29 10 o 102.3625 3.841785 516.8477       38.42455 591.3000       69.99476 484.7324       45.97081 108.6897 6.610427 98.91795 4.761879 9.771698       8.146977 
1 1 1 3   29 11 f 72.21587 4.126224 258.0519       29.04560 254.2000       51.72281 259.8261       35.10321 70.76695 7.585200 72.28297 4.992067 -1.516014      9.080528 
1 1 1 3   29 12 o 62.98822 3.686980 196.0975       22.63253 182.4620       31.99705 209.7505       32.01744 60.38966 5.472383 64.87321 5.082694 -4.483555      7.468651 
1 1 1 3   29 13 o 79.11817 4.082732 309.7069       31.51098 337.5150       37.50827 243.0000       58.09334 82.46939 4.665552 68.63634 8.852991 13.83305       10.00714 
1 1 1 3   29 14 o 58.81700 3.653560 171.1450       20.93031 196.1000       49.83095 165.7993       23.06340 61.62988 8.485390 57.80619 4.102743 3.823689       9.425197 
1 1 1 3   29 15 o 19.77179 6.728184 18.26482       15.57306 44.40000       41.88278 14.07184       16.77584 30.80945 10.99759 18.72281 6.919184 12.08664       12.99316 
1 1 1 3   29 16 o 53.89354 3.382261 143.6749       17.75230 220.0000       48.27565 131.7400       19.08986 65.50285 7.674788 51.52165 3.812366 13.98120       8.569510 
1 1 1 3   29 17 o 63.29590 3.219319 197.8583       19.88003 0.000000       0.000000 197.8583       19.88003 ?        ?        63.29590 3.219319 ?              ?        
1 1 1 3   29 18 o 53.30499 7.368194 146.3906       37.41758 138.6000       48.12419 158.3000       59.50095 50.82197 10.03027 53.66762 11.66079 -2.845650      15.38116 
1 1 1 3   29 19 f 23.69112 10.10314 4.683000       41.27956 4.683000       41.27956 0.000000       0.000000 23.69112 10.10314 ?        ?        ?              ?        
1 1 1 3   29 20 o 36.96363 11.13385 74.34000       43.58789 74.34000       43.58789 0.000000       0.000000 36.96363 11.13385 ?        ?        ?              ?        
1 1 1 3   29 21 o 48.30912 7.682094 121.8371       35.11081 141.9000       45.86316 93.43000       54.57331 51.46405 9.452686 40.88497 12.48810 10.57908       15.66224 
1 1 1 3   29 22 o 56.14591 10.92028 173.2000       57.85352 0.000000       0.000000 173.2000       57.85352 ?        ?        56.14591 10.92028 ?              ?        
1 1 1 3   29 23 f 78.85757 8.847460 327.1000       67.11539 0.000000       0.000000 327.1000       67.11539 ?        ?        78.85757 8.847460 ?              ?        
1 1 1 3   29 24 o 55.48242 7.181268 159.5547       38.08588 213.5000       49.66056 82.51000       59.34805 63.83348 8.132375 38.60793 13.13457 25.22556       15.44838 
1 1 1 3   29 25 o 51.77463 7.571201 140.4576       37.23542 136.8000       46.89196 146.7000       61.25972 49.96433 9.937963 50.37983 12.48612 -0.4155006     15.95827 
1 1 1 3   29 26 o 38.78716 9.366688 82.62908       35.15669 83.79000       44.40920 80.68000       57.54237 38.54151 11.14355 37.93388 12.93271 0.6076317      17.07143 
1 1 1 3   29 27 o 49.22410 7.745783 128.3496       36.08892 104.3000       45.11201 171.1000       60.14617 42.88728 10.76431 54.69445 11.59498 -11.80717      15.82131 
1 1 1 3   29 28 o 70.30028 5.984096 253.1683       40.78665 234.2000       51.11840 286.4000       67.66103 66.44379 8.022074 72.24448 9.822307 -5.800682      12.68193 
1 1 1 3   29 29 o 37.42274 9.297031 78.46120       33.90348 64.52000       41.53395 106.3000       58.69191 33.75890 10.97437 41.76977 12.98518 -8.010868      17.00152 
1 1 1 3   29 30 o 31.47559 9.848232 55.66439       33.70171 80.61000       41.82990 9.514000       56.89544 37.14101 10.83750 26.57105 11.59622 10.56995       15.87211 
1 1 1 3   29 31 o 65.23919 6.219368 221.4946       39.23558 207.1000       49.00494 247.2000       65.48663 61.66217 8.332257 65.56318 10.56323 -3.901005      13.45394 
1 1 1 3   29 32 o 38.73405 8.924340 84.79407       33.13952 86.38000       39.99469 81.32000       59.19420 38.30188 10.40154 36.43277 13.06629 1.869106       16.70089 
1 1 1 3   29 33 o 43.46033 9.947614 110.0000       41.40088 110.0000       41.40088 0.000000       0.000000 43.46033 9.947614 ?        ?        ?              ?        
1 1 1 3   29 34 o 52.94975 7.355594 151.3307       37.09502 117.7000       43.98268 234.2000       69.04158 44.66325 10.27467 62.00079 11.80756 -17.33755      15.65207 
1 1 1 3   29 35 o 53.22372 12.30429 178.2000       62.81934 0.000000       0.000000 178.2000       62.81934 ?        ?        53.22372 12.30429 ?              ?        
1 1 1 3   29 36 o 44.59753 12.64236 129.8000       57.70757 0.000000       0.000000 129.8000       57.70757 ?        ?        44.59753 12.64236 ?              ?        
1 1 1 3   29 37 o 54.45184 6.932116 159.7153       36.11098 127.1000       46.20527 210.9000       57.88290 45.85154 10.51902 59.70020 10.27594 -13.84866      14.70526 
1 1 1 3   29 38 o 33.88007 9.359448 67.90156       32.06573 42.37000       40.11264 113.1000       53.37087 27.97997 10.62407 41.47564 12.27930 -13.49566      16.23737 
1 1 1 3   29 39 o 74.98895 5.548136 293.6246       40.43558 306.3000       53.40759 276.6000       61.89585 74.84249 7.386550 68.94933 9.417020 5.893158       11.96835 
1 1 1 3   29 40 o 38.30117 11.95862 98.14000       49.72054 0.000000       0.000000 98.14000       49.72054 ?        ?        38.30117 11.95862 ?              ?        
1 1 1 3   29 41 o 52.93465 6.632980 152.0629       33.61560 0.000000       0.000000 152.0629       33.61560 ?        ?        52.93465 6.632980 ?              ?        
1 1 1 3   29 42 o 15.24792 7.147761 -19.91035      26.86533 0.000000       0.000000 -19.91035      26.86533 ?        ?        15.24792 7.147761 ?              ?        
1 1 1 3   29 43 o 15.08726 7.154921 -25.71068      28.37379 0.000000       0.000000 -25.71068      28.37379 ?        ?        15.08726 7.154921 ?              ?        
1 1 1 3   29 44 o 35.73565 10.90186 83.10000       41.60676 0.000000       0.000000 83.10000       41.60676 ?        ?        35.73565 10.90186 ?              ?        
1 1 1 3   29 45 f 38.81848 12.04044 103.7000       50.49417 0.000000       0.000000 103.7000       50.49417 ?        ?        38.81848 12.04044 ?              ?        
1 1 1 3   29 46 f 39.48807 8.378302 91.33509       31.37978 0.000000       0.000000 91.33509       31.37978 ?        ?        39.48807 8.378302 ?              ?        
1 1 1 3   29 47 o 28.00363 9.202390 47.20921       29.16711 0.000000       0.000000 47.20921       29.16711 ?        ?        28.00363 9.202390 ?              ?        
1 1 1 3   29 48 o 36.82699 8.717800 81.59155       30.93475 0.000000       0.000000 81.59155       30.93475 ?        ?        36.82699 8.717800 ?              ?        
1 1 1 3   29 49 o 28.98413 9.097540 52.00174       28.73655 0.000000       0.000000 52.00174       28.73655 ?        ?        28.98413 9.097540 ?              ?        
1 1 1 3   29 50 o 25.98724 9.048108 41.05969       28.21685 0.000000       0.000000 41.05969       28.21685 ?        ?        25.98724 9.048108 ?              ?        
1 1 1 3   30 0  o 114.6107 3.389416 646.6987       37.98208 604.8000       76.22636 660.5374       43.80782 109.7192 7.136402 115.7275 3.872765 -6.008301      8.119516 
1 1 1 3   30 1  o 97.59457 3.932380 470.0950       37.48841 426.5000       67.20570 489.7874       45.16869 91.91564 7.535936 99.45588 4.652712 -7.540237      8.856526 
1 1 1 3   30 2  o 146.7473 4.201369 1063.105       60.28646 1199.000       112.6117 1008.512       71.37605 154.4380 7.471599 142.6274 5.120931 11.81062       9.058075 
1 1 1 3   30 3  o 106.5467 3.411178 559.0776       35.52961 781.2000       81.74698 507.3459       39.45062 124.9059 6.710887 101.3759 3.983448 23.53004       7.804092 
1 1 1 3   30 4  f 118.5745 3.462301 692.4780       40.14181 654.9000       80.23842 705.0228       46.36048 114.1079 7.220940 119.5270 3.968059 -5.419106      8.239385 
1 1 1 3   30 5  o 94.90748 3.903271 444.7162       36.18325 489.1000       67.75861 427.0110       42.79594 98.58508 7.068692 92.80631 4.726628 5.778770       8.503377 
1 1 1 3   30 6  o 130.8624 3.526938 843.7095       45.13596 997.1000       99.26523 803.7297       50.67787 140.8149 7.225986 127.5832 4.063243 13.23169       8.290044 
1 1 1 3   30 7  o 87.57609 3.492727 378.1885       29.88027 424.4000       63.65284 365.1272       33.84056 91.72553 7.145939 85.94026 4.034116 5.785271       8.206006 
1 1 1 3   30 8  o 93.18263 3.473043 428.1049       31.62210 350.7000       63.36982 453.7705       36.48998 83.02805 7.892222 95.84867 3.897517 -12.82062      8.802148 
1 1 1 3   30 9  o 80.39949 3.556431 319.0381       27.91887 375.8000       59.10660 302.7369       31.67516 86.25662 7.062415 78.19412 4.153355 8.062500       8.193172 
1 1 1 3   30 10 f 155.0314 4.287652 1188.820       65.00222 1423.000       123.0543 1098.184       76.55470 167.8327 7.509577 148.5983 5.271576 19.23439       9.175144 
1 1 1 3   30 11 o 52.00948 4.903421 135.3094       24.66789 115.7000       42.86858 145.0167       30.16185 46.63420 9.707461 53.62460 5.840563 -6.990398      11.32903 
1 1 1 3   30 12 o 92.41434 3.232834 421.0587       29.19844 422.9939       41.11190 419.0891       41.47615 92.29309 4.565013 91.84658 4.628404 0.4465103      6.500882 
1 1 1 3   30 13 o 57.42495 6.445036 167.4451       35.60249 175.0000       47.76421 158.0000       53.40588 57.90500 8.695516 54.25361 10.43553 3.651394       13.58353 
1 1 1 3   30 14 o 150.1167 4.114624 1115.727       60.40260 1038.000       105.7278 1153.388       73.59535 142.8286 7.589791 152.2438 4.945168 -9.415222      9.058676 
1 1 1 3   30 15 o 110.2347 3.235705 599.3561       34.87571 640.7000       75.78698 588.2487       39.28218 112.4520 6.918776 109.0825 3.684326 3.369453       7.838604 
1 1 1 3   30 16 o 67.10091 3.239731 222.4661       21.21575 240.3000       52.00559 218.9055       23.23732 68.20174 7.938400 66.49014 3.583689 1.711594       8.709823 
1 1 1 3   30 17 o 51.03131 3.179134 128.8644       15.80117 224.8000       48.02050 117.2158       16.73299 66.05318 7.563463 48.59494 3.542167 17.45824       8.351821 
1 1 1 3   30 18 o 167.2437 4.255438 1388.474       69.60611 1338.000       125.7206 1410.786       83.58636 161.3388 7.985706 168.0771 5.086520 -6.738251      9.468061 
1 1 1 3   30 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   30 20 o 45.80980 10.49229 115.7000       46.03345 115.7000       46.03345 0.000000       0.000000 45.80980 10.49229 ?        ?        ?              ?        
1 1 1 3   30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   30 22 o 58.64672 6.952931 177.5915       39.13767 199.2000       50.44028 144.9000       62.04153 61.33416 8.640921 50.08828 12.65250 11.24589       15.32160 
1 1 1 3   30 23 o 80.63966 5.738266 329.4830       44.99754 363.4000       58.86429 281.8000       69.79514 83.88383 7.239934 71.98524 10.19002 11.89859       12.50013 
1 1 1 3   30 24 o 65.96215 6.307125 222.8913       40.22697 191.2000       50.11494 280.3000       67.45065 59.79798 8.827034 71.91114 9.840459 -12.11316      13.21935 
1 1 1 3   30 25 o 71.75388 6.096675 263.3486       42.41475 312.2000       55.67820 195.8000       65.47192 77.37861 7.442898 58.40813 11.85731 18.97048       13.99973 
1 1 1 3   30 26 o 82.27521 5.715406 344.9106       45.74188 333.7000       58.66161 362.3000       73.06071 79.72843 7.609007 81.79254 9.290041 -2.064110      12.00841 
1 1 1 3   30 27 o 23.40339 9.388900 18.91770       32.76553 19.82000       40.26881 17.15000       56.36337 25.07074 10.27879 27.58299 11.78541 -2.512249      15.63808 
1 1 1 3   30 28 o 90.78156 5.477383 420.5775       48.44534 405.4000       62.45742 443.5000       76.75620 87.71509 7.341796 90.42070 8.782915 -2.705612      11.44734 
1 1 1 3   30 29 o 48.31052 7.865395 126.6454       35.91528 123.1000       44.46515 133.3000       60.91775 46.20736 10.11257 45.96424 12.97540 0.2431259      16.45068 
1 1 1 3   30 30 o 60.54914 6.426565 192.1037       37.50746 167.9000       46.19991 238.9000       64.24004 54.98264 8.887434 64.29452 10.57498 -9.311874      13.81364 
1 1 1 3   30 31 o 31.19426 9.797368 55.84586       33.32259 26.00000       40.38603 119.5000       58.97969 25.63021 10.37360 43.11716 12.94321 -17.48695      16.58729 
1 1 1 3   30 32 o 31.04539 10.89058 55.26000       40.92402 55.26000       40.92402 0.000000       0.000000 31.04539 10.89058 ?        ?        ?              ?        
1 1 1 3   30 33 o 29.13555 9.925602 47.98929       33.89295 57.46000       41.18587 28.12000       59.65517 31.39701 10.93146 28.40684 12.13071 2.990170       16.32945 
1 1 1 3   30 34 o 38.34289 13.13963 96.84000       59.41436 0.000000       0.000000 96.84000       59.41436 ?        ?        38.34289 13.13963 ?              ?        
1 1 1 3   30 35 o 60.23220 6.998708 195.3212       40.49480 210.4000       53.06702 174.3000       62.65689 60.62606 9.233690 51.96672 12.47610 8.659340       15.52141 
1 1 1 3   30 36 o 59.93198 6.491838 191.5345       37.47578 188.5000       47.94493 196.3000       60.08361 57.60057 8.781026 56.37831 11.28186 1.222267       14.29639 
1 1 1 3   30 37 f 22.82814 8.981650 22.86574       29.43025 20.63000       36.08134 27.31000       50.87111 23.54497 9.699589 26.69330 11.29271 -3.148336      14.88648 
1 1 1 3   30 38 o 24.67083 9.151484 31.96981       29.39583 34.03000       36.85990 28.37000       48.72373 25.87116 10.08907 26.34887 11.09432 -0.4777031     14.99578 
1 1 1 3   30 39 o 18.87609 8.983099 -36.24000      45.50824 0.000000       0.000000 -36.24000      45.50824 ?        ?        18.87609 8.983099 ?              ?        
1 1 1 3   30 40 o 23.90166 9.048682 29.43018       29.04692 0.000000       0.000000 29.43018       29.04692 ?        ?        23.90166 9.048682 ?              ?        
1 1 1 3   30 41 o 33.99124 9.058874 69.27486       30.68458 0.000000       0.000000 69.27486       30.68458 ?        ?        33.99124 9.058874 ?              ?        
1 1 1 3   30 42 o 20.40314 9.135126 -0.6974000     37.55685 0.000000       0.000000 -0.6974000     37.55685 ?        ?        20.40314 9.135126 ?              ?        
1 1 1 3   30 43 o 23.08243 9.098422 25.29269       30.24955 0.000000       0.000000 25.29269       30.24955 ?        ?        23.08243 9.098422 ?              ?        
1 1 1 3   30 44 o 23.44435 10.33554 11.51000       46.23659 0.000000       0.000000 11.51000       46.23659 ?        ?        23.44435 10.33554 ?              ?        
1 1 1 3   30 45 o 47.62541 7.304408 127.1825       32.96615 0.000000       0.000000 127.1825       32.96615 ?        ?        47.62541 7.304408 ?              ?        
1 1 1 3   30 46 o 16.55724 7.582025 -10.19061      27.68078 0.000000       0.000000 -10.19061      27.68078 ?        ?        16.55724 7.582025 ?              ?        
1 1 1 3   30 47 o 24.38384 9.072008 33.12253       28.92780 0.000000       0.000000 33.12253       28.92780 ?        ?        24.38384 9.072008 ?              ?        
1 1 1 3   30 48 o 24.79095 8.965539 35.71390       27.93796 0.000000       0.000000 35.71390       27.93796 ?        ?        24.79095 8.965539 ?              ?        
1 1 1 3   30 49 o 28.41329 9.099267 50.68221       28.62234 0.000000       0.000000 50.68221       28.62234 ?        ?        28.41329 9.099267 ?              ?        
1 1 1 3   31 0  o 68.46101 4.287062 232.5666       28.58405 172.4000       53.44070 256.6776       33.83001 57.14069 9.914077 71.80392 4.841660 -14.66323      11.03316 
1 1 1 3   31 1  o 46.00379 5.632117 106.8569       24.83294 107.5000       48.15852 106.6240       28.98338 44.55411 11.08732 45.67526 6.680317 -1.121151      12.94431 
1 1 1 3   31 2  o 74.04087 3.708667 271.0002       26.79234 264.8000       57.00895 272.7579       30.35327 71.79623 8.262617 74.17784 4.197599 -2.381615      9.267723 
1 1 1 3   31 3  f 93.97723 4.028711 436.9338       36.97304 312.2000       62.40320 504.4056       45.89614 77.99343 8.301565 100.8052 4.664078 -22.81175      9.522059 
1 1 1 3   31 4  o 116.6506 3.990176 672.7302       45.49309 789.0000       85.19527 626.3527       53.80657 125.0738 6.986708 112.2621 4.908478 12.81165       8.538574 
1 1 1 3   31 5  o 143.2429 3.659294 1012.599       51.26500 1186.000       111.3947 966.0051       57.74322 153.0718 7.457132 139.7124 4.227268 13.35941       8.571966 
1 1 1 3   31 6  o 58.47239 4.322237 170.0646       24.56318 106.8000       50.07149 190.1142       28.18797 44.21325 11.47241 61.75367 4.698587 -17.54041      12.39729 
1 1 1 3   31 7  o 51.41531 4.656336 132.1051       23.18002 159.8000       48.68407 123.9861       26.35968 55.04660 9.370885 49.58657 5.524588 5.460022       10.87817 
1 1 1 3   31 8  o 68.67976 3.892888 233.7702       26.06303 253.2000       53.43006 227.7034       29.85604 70.17106 7.917014 67.62868 4.536430 2.542374       9.124599 
1 1 1 3   31 9  o 90.63615 3.538433 405.8876       31.33166 524.8000       68.29814 374.1922       35.26092 101.7954 6.895170 86.86164 4.159328 14.93377       8.052539 
1 1 1 3   31 10 o 49.76337 4.570621 123.8481       22.01493 125.1000       41.74392 123.3657       25.91121 48.57196 9.114837 49.44681 5.443516 -0.8748512     10.61660 
1 1 1 3   31 11 o 81.40924 3.486875 327.5882       27.72102 435.3000       57.43296 294.8733       31.65209 92.85860 6.357122 77.05236 4.212749 15.80624       7.626287 
1 1 1 3   31 12 f 86.02090 4.799987 369.0161       40.25544 0.000000       0.000000 369.0161       40.25544 ?        ?        86.02090 4.799987 ?              ?        
1 1 1 3   31 13 o 53.96231 3.929957 144.8213       20.61566 158.0000       43.76999 141.0643       23.37024 54.91489 8.410310 53.11282 4.538743 1.802067       9.556857 
1 1 1 3   31 14 o 104.1093 3.925979 537.2539       39.93602 571.1000       69.69322 520.7069       48.72996 106.0560 6.748507 102.1364 4.888456 3.919548       8.333028 
1 1 1 3   31 15 o 46.06731 4.125328 106.0257       18.40521 102.8000       42.68620 106.7624       20.39881 43.33998 10.22806 46.12045 4.579019 -2.780468      11.20628 
1 1 1 3   31 16 o 38.16194 4.321228 73.20586       15.85778 88.62000       42.13171 70.66178       17.11647 40.08089 10.58421 37.37235 4.788963 2.708534       11.61721 
1 1 1 3   31 17 o 34.98072 4.196988 61.58267       14.08392 82.68000       41.54383 58.84309       14.97045 38.66998 10.64181 34.08715 4.604449 4.582829       11.59522 
1 1 1 3   31 18 o 77.54681 2.874077 296.7571       21.77793 328.5000       55.67667 291.0232       23.66325 79.92160 7.194007 76.72743 3.157523 3.194168       7.856443 
1 1 1 3   31 19 o 33.38602 9.661002 60.58036       33.36591 37.32000       41.15389 105.2000       56.99879 28.80031 10.79937 42.80332 12.69420 -14.00301      16.66640 
1 1 1 3   31 20 o 63.18201 10.80359 220.3000       64.41486 0.000000       0.000000 220.3000       64.41486 ?        ?        63.18201 10.80359 ?              ?        
1 1 1 3   31 21 o 53.15928 12.41488 163.5000       63.42365 0.000000       0.000000 163.5000       63.42365 ?        ?        53.15928 12.41488 ?              ?        
1 1 1 3   31 22 o 78.00612 7.547018 317.0000       56.90599 317.0000       56.90599 0.000000       0.000000 78.00612 7.547018 ?        ?        ?              ?        
1 1 1 3   31 23 o 59.78006 6.736997 185.2959       38.73541 172.5000       48.03113 209.1000       65.51085 56.46657 8.991333 60.60431 11.46321 -4.137741      14.56877 
1 1 1 3   31 24 o 70.34066 6.071234 253.9663       41.39255 233.4000       52.17310 288.9000       67.99707 66.15354 8.235054 72.48876 9.836858 -6.335220      12.82887 
1 1 1 3   31 25 o 42.62794 8.905033 100.4187       35.95665 125.7000       44.89495 55.19000       60.04887 47.15823 10.03450 33.11868 12.88817 14.03956       16.33389 
1 1 1 3   31 26 o 61.25406 6.683289 196.3080       39.42184 168.3000       48.81894 248.8000       66.83341 54.99702 9.406489 65.99493 10.71315 -10.99791      14.25670 
1 1 1 3   31 27 o 64.58293 6.467031 218.1347       40.33232 224.9000       50.48560 206.2000       67.05511 64.38519 8.196331 58.39927 12.12758 5.985928       14.63755 
1 1 1 3   31 28 o 67.54485 6.123335 237.3979       40.04487 208.2000       49.11440 295.3000       69.16399 61.70328 8.345714 72.00086 10.09039 -10.29758      13.09453 
1 1 1 3   31 29 o 67.35213 6.070632 236.3103       39.59224 254.6000       49.80260 204.9000       65.26576 68.86092 7.510374 58.04256 11.88795 10.81835       14.06162 
1 1 1 3   31 30 o 34.64524 9.739616 70.21642       34.39699 92.05000       42.07973 26.25000       59.71327 39.11040 10.68916 28.29547 12.11120 10.81493       16.15361 
1 1 1 3   31 31 o 46.89684 10.52507 131.1000       47.12499 131.1000       47.12499 0.000000       0.000000 46.89684 10.52507 ?        ?        ?              ?        
1 1 1 3   31 32 o 32.85632 9.989850 63.80562       34.97575 46.50000       44.07137 93.25000       57.48628 29.33248 11.13637 37.83463 12.92579 -8.502155      17.06150 
1 1 1 3   31 33 o 30.81453 12.19017 52.06000       54.47891 0.000000       0.000000 52.06000       54.47891 ?        ?        30.81453 12.19017 ?              ?        
1 1 1 3   31 34 o 45.99382 8.136411 118.5617       35.29023 122.7000       45.06481 112.0000       56.74614 45.02806 10.42977 40.92466 12.77527 4.103405       16.49205 
1 1 1 3   31 35 o 60.19281 6.236169 192.3693       36.21085 195.1000       45.96062 187.9000       58.79858 59.05358 8.169818 54.94958 11.30917 4.103992       13.95146 
1 1 1 3   31 36 o 43.65496 8.081866 107.8410       33.26281 113.5000       42.21969 98.58000       54.00979 43.15893 10.16311 38.15662 12.52161 5.002316       16.12698 
1 1 1 3   31 37 o 41.11226 12.21435 114.6000       52.73355 0.000000       0.000000 114.6000       52.73355 ?        ?        41.11226 12.21435 ?              ?        
1 1 1 3   31 38 o 42.60625 8.065523 103.7820       32.40521 0.000000       0.000000 103.7820       32.40521 ?        ?        42.60625 8.065523 ?              ?        
1 1 1 3   31 39 o 20.65011 8.531242 14.52504       28.01890 0.000000       0.000000 14.52504       28.01890 ?        ?        20.65011 8.531242 ?              ?        
1 1 1 3   31 40 o 43.35688 7.978700 107.4058       32.61339 0.000000       0.000000 107.4058       32.61339 ?        ?        43.35688 7.978700 ?              ?        
1 1 1 3   31 41 o 28.75563 10.72741 49.92000       40.50108 0.000000       0.000000 49.92000       40.50108 ?        ?        28.75563 10.72741 ?              ?        
1 1 1 3   31 42 o 24.12981 9.219367 30.43439       30.32517 0.000000       0.000000 30.43439       30.32517 ?        ?        24.12981 9.219367 ?              ?        
1 1 1 3   31 43 o 21.53854 9.826233 -4.948000      45.92584 0.000000       0.000000 -4.948000      45.92584 ?        ?        21.53854 9.826233 ?              ?        
1 1 1 3   31 44 o 21.84700 8.847137 20.34886       29.39299 0.000000       0.000000 20.34886       29.39299 ?        ?        21.84700 8.847137 ?              ?        
1 1 1 3   31 45 o 20.23406 8.507969 12.53273       28.59228 0.000000       0.000000 12.53273       28.59228 ?        ?        20.23406 8.507969 ?              ?        
1 1 1 3   31 46 o 50.02602 6.945871 139.6628       33.09545 0.000000       0.000000 139.6628       33.09545 ?        ?        50.02602 6.945871 ?              ?        
1 1 1 3   31 47 o 29.44157 9.189699 54.35297       29.36368 0.000000       0.000000 54.35297       29.36368 ?        ?        29.44157 9.189699 ?              ?        
1 1 1 3   31 48 o 17.97357 7.934938 2.404783       27.34388 0.000000       0.000000 2.404783       27.34388 ?        ?        17.97357 7.934938 ?              ?        
1 1 1 3   32 0  o 86.12512 4.911762 370.0227       41.23528 316.7000       60.11719 417.4000       56.66665 78.45607 7.937336 90.90106 6.409822 -12.44499      10.20231 
1 1 1 3   32 1  f 46.68563 5.749252 110.5521       25.71818 117.7000       47.17896 107.5301       30.67684 46.50019 10.60163 45.62469 7.100058 0.8754997      12.75952 
1 1 1 3   32 2  f 109.3014 3.982146 591.6854       42.53266 679.5000       78.76994 555.5455       50.53243 115.7562 6.984496 105.5836 4.902919 10.17259       8.533569 
1 1 1 3   32 3  o 78.77491 4.284841 308.3457       32.91476 230.5000       58.83957 343.8005       39.70901 66.17055 9.344219 83.00211 4.909509 -16.83156      10.55546 
1 1 1 3   32 4  o 84.65730 3.572685 354.4165       29.53846 366.2000       62.29225 350.9982       33.55036 84.54981 7.608167 84.11349 4.087214 0.4363251      8.636522 
1 1 1 3   32 5  o 106.1974 3.454456 557.0716       35.86092 551.6000       73.25105 558.7964       41.12639 104.0763 7.235501 106.2081 3.962955 -2.131844      8.249696 
1 1 1 3   32 6  o 54.38134 4.559801 147.8232       24.04851 83.43000       49.39104 167.8326       27.53254 39.02023 11.87283 57.87708 4.906151 -18.85685      12.84657 
1 1 1 3   32 7  o 62.06659 4.115584 191.6152       24.86198 224.3000       52.41640 182.1273       28.24088 65.64313 8.346225 60.32183 4.823116 5.321293       9.639602 
1 1 1 3   32 8  o 80.74279 3.673089 322.8343       28.95359 385.6000       61.22242 304.7520       32.86063 86.84615 7.268621 78.27261 4.305623 8.573547       8.448150 
1 1 1 3   32 9  o 55.46010 4.520307 153.7704       24.32625 153.8000       48.53529 153.7605       28.11220 53.60116 9.603484 55.25440 5.261253 -1.653236      10.95024 
1 1 1 3   32 10 o 111.8109 3.436908 617.9252       37.57011 735.7000       76.29190 580.2198       43.16719 120.5279 6.490674 108.1223 4.086153 12.40560       7.669778 
1 1 1 3   32 11 o 67.04337 3.790247 223.1333       24.77178 280.1000       46.86731 201.0492       29.18099 74.17285 6.521670 63.37271 4.738568 10.80014       8.061402 
1 1 1 3   32 12 o 80.99416 4.134675 326.2525       32.67095 0.000000       0.000000 326.2525       32.67095 ?        ?        80.99416 4.134675 ?              ?        
1 1 1 3   32 13 o 117.5467 3.442383 683.3849       39.56469 0.000000       0.000000 683.3849       39.56469 ?        ?        117.5467 3.442383 ?              ?        
1 1 1 3   32 14 o 87.30900 4.964781 381.9858       42.25437 0.000000       0.000000 381.9858       42.25437 ?        ?        87.30900 4.964781 ?              ?        
1 1 1 3   32 15 o 56.56395 3.773311 159.1789       20.77198 203.2000       44.68988 147.0477       23.46019 62.58871 7.440120 54.17798 4.463426 8.410736       8.676264 
1 1 1 3   32 16 o 45.14746 4.046434 101.9696       17.69240 83.25000       39.92997 106.5424       19.73542 38.75410 10.33646 46.05882 4.432169 -7.304710      11.24662 
1 1 1 3   32 17 o 50.89934 3.335358 128.6266       16.52576 128.6000       41.90854 128.6315       17.98293 48.79562 9.109295 50.83194 3.638304 -2.036320      9.809002 
1 1 1 3   32 18 o 53.48957 3.101701 141.7797       16.16994 0.000000       0.000000 141.7797       16.16994 ?        ?        53.48957 3.101701 ?              ?        
1 1 1 3   32 19 o 78.27645 9.314698 328.9000       69.97025 0.000000       0.000000 328.9000       69.97025 ?        ?        78.27645 9.314698 ?              ?        
1 1 1 3   32 20 o 32.89107 9.659357 59.59659       33.13704 45.53000       39.59705 92.47000       60.53281 29.95333 10.69314 39.81594 13.26382 -9.862602      17.03738 
1 1 1 3   32 21 o 70.09540 6.179711 252.3820       41.96608 261.6000       52.69661 236.4000       69.38747 70.43510 7.772517 64.37815 11.42990 6.056946       13.82225 
1 1 1 3   32 22 o 133.1620 5.439013 899.6006       70.74436 952.3000       96.80605 839.2000       103.6383 135.0703 7.349804 125.4812 8.487871 9.589134       11.22780 
1 1 1 3   32 23 o 55.97803 12.07183 186.1000       64.19746 0.000000       0.000000 186.1000       64.19746 ?        ?        55.97803 12.07183 ?              ?        
1 1 1 3   32 24 o 56.91442 8.930206 178.4000       48.11387 178.4000       48.11387 0.000000       0.000000 56.91442 8.930206 ?        ?        ?              ?        
1 1 1 3   32 25 o 61.68470 6.729781 200.3921       39.97525 240.0000       50.48265 133.8000       65.45798 66.72496 7.881361 45.41638 13.63602 21.30858       15.74982 
1 1 1 3   32 26 o 62.49685 6.515751 205.2102       39.27451 184.0000       48.56509 245.3000       66.76800 57.50792 8.916064 64.72506 10.92742 -7.217136      14.10336 
1 1 1 3   32 27 o 49.24355 7.560764 131.4451       35.28069 113.1000       42.70226 170.9000       62.62393 43.97139 10.13003 52.31716 12.41640 -8.345764      16.02450 
1 1 1 3   32 28 o 40.22618 8.843536 92.00928       33.87045 86.69000       40.80146 103.8000       60.74625 37.98259 10.58234 39.76385 13.28808 -1.781258      16.98703 
1 1 1 3   32 29 o 31.70172 10.76735 59.06000       39.88143 59.06000       39.88143 0.000000       0.000000 31.70172 10.76735 ?        ?        ?              ?        
1 1 1 3   32 30 o 21.39934 9.427835 1.436000       38.41312 1.436000       38.41312 0.000000       0.000000 21.39934 9.427835 ?        ?        ?              ?        
1 1 1 3   32 31 o 26.04398 9.657735 35.24641       32.73324 59.43000       41.45591 -4.795000      53.34340 31.59669 10.96922 23.67923 10.71887 7.917458       15.33682 
1 1 1 3   32 32 o 37.58009 12.38710 92.74000       52.83329 0.000000       0.000000 92.74000       52.83329 ?        ?        37.58009 12.38710 ?              ?        
1 1 1 3   32 33 o 21.93395 8.927735 17.73749       30.10905 24.85000       37.84732 5.476000       49.69299 24.52673 9.999557 23.87050 10.60928 0.6562347      14.57903 
1 1 1 3   32 34 o 59.26811 6.285803 187.0826       35.91069 213.6000       46.54883 148.1000       56.43898 62.03815 7.840346 47.64684 12.08522 14.39132       14.40568 
1 1 1 3   32 35 o 61.59834 10.33534 230.1000       60.11102 0.000000       0.000000 230.1000       60.11102 ?        ?        61.59834 10.33534 ?              ?        
1 1 1 3   32 36 o 26.94926 9.416311 42.05600       30.57518 0.000000       0.000000 42.05600       30.57518 ?        ?        26.94926 9.416311 ?              ?        
1 1 1 3   32 37 o 17.52398 7.843598 -3.705421      27.66474 0.000000       0.000000 -3.705421      27.66474 ?        ?        17.52398 7.843598 ?              ?        
1 1 1 3   32 38 o 30.16704 9.331993 55.09793       30.35559 0.000000       0.000000 55.09793       30.35559 ?        ?        30.16704 9.331993 ?              ?        
1 1 1 3   32 39 o 23.55836 9.168962 27.62610       30.39540 0.000000       0.000000 27.62610       30.39540 ?        ?        23.55836 9.168962 ?              ?        
1 1 1 3   32 40 o 24.20983 10.04429 25.12000       39.06583 0.000000       0.000000 25.12000       39.06583 ?        ?        24.20983 10.04429 ?              ?        
1 1 1 3   32 41 o 24.99058 9.284049 34.54819       30.27475 0.000000       0.000000 34.54819       30.27475 ?        ?        24.99058 9.284049 ?              ?        
1 1 1 3   32 42 o 33.58779 12.04336 77.96000       50.28571 0.000000       0.000000 77.96000       50.28571 ?        ?        33.58779 12.04336 ?              ?        
1 1 1 3   32 43 o 46.27164 7.506989 121.4554       32.83650 0.000000       0.000000 121.4554       32.83650 ?        ?        46.27164 7.506989 ?              ?        
1 1 1 3   32 44 o 37.40569 8.709994 84.04048       31.29305 0.000000       0.000000 84.04048       31.29305 ?        ?        37.40569 8.709994 ?              ?        
1 1 1 3   32 45 o 31.76370 9.228469 63.07713       30.38959 0.000000       0.000000 63.07713       30.38959 ?        ?        31.76370 9.228469 ?              ?        
1 1 1 3   32 46 o 24.34809 9.015594 34.19959       28.50609 0.000000       0.000000 34.19959       28.50609 ?        ?        24.34809 9.015594 ?              ?        
1 1 1 3   32 47 o 24.32179 8.991631 34.60937       28.33486 0.000000       0.000000 34.60937       28.33486 ?        ?        24.32179 8.991631 ?              ?        
1 1 1 3   33 0  o 74.65953 3.615969 276.2096       26.34649 267.9000       55.80687 278.5928       29.88675 71.79711 8.081170 74.85204 4.094738 -3.054924      9.059370 
1 1 1 3   33 1  o 107.7666 5.042647 580.8679       53.04481 658.2000       78.40661 515.6000       72.03158 113.5645 7.088841 100.2850 7.389955 13.27943       10.24027 
1 1 1 3   33 2  o 68.90850 5.845329 240.1763       39.05481 182.1000       54.09599 303.4000       56.44241 58.20078 9.846561 76.68350 7.620371 -18.48273      12.45090 
1 1 1 3   33 3  o 76.98899 3.695612 293.8666       27.76842 216.9000       56.20580 318.7191       31.93850 63.92752 9.250904 80.07211 4.088529 -16.14459      10.11411 
1 1 1 3   33 4  o 78.37427 3.666249 304.4780       28.04764 294.2000       58.86160 307.4972       31.90228 75.21724 8.123536 78.62037 4.160343 -3.403130      9.126900 
1 1 1 3   33 5  o 56.16561 4.394849 157.6939       23.96906 271.9000       53.71153 129.2950       26.78390 72.48771 7.687050 50.51062 5.506378 21.97709       9.455736 
1 1 1 3   33 6  o 23.33448 7.873270 26.61721       21.32193 2.723000       45.10655 33.49257       24.19584 24.19646 10.44347 25.70278 8.377690 -1.506319      13.38849 
1 1 1 3   33 7  o 101.6220 3.558520 511.2813       35.34211 495.3000       72.22948 516.3119       40.52465 98.05772 7.584256 101.9421 4.069425 -3.884392      8.607041 
1 1 1 3   33 8  o 183.5851 4.786924 1682.243       85.94677 1865.000       157.3742 1604.567       102.5985 189.3879 8.511107 178.4097 5.883159 10.97820       10.34652 
1 1 1 3   33 9  o 125.0699 3.553318 774.4128       43.45628 959.5000       92.75596 722.3627       49.18858 137.0796 6.935475 120.5274 4.175694 16.55219       8.095507 
1 1 1 3   33 10 o 105.6770 3.874686 554.3538       40.01171 633.1000       69.84180 515.8826       48.81668 111.6025 6.420550 101.4978 4.928396 10.10471       8.093982 
1 1 1 3   33 11 o 36.44648 7.386133 70.27302       25.44633 0.000000       0.000000 70.27302       25.44633 ?        ?        36.44648 7.386133 ?              ?        
1 1 1 3   33 12 o 42.30615 5.136396 90.86424       20.83481 0.000000       0.000000 90.86424       20.83481 ?        ?        42.30615 5.136396 ?              ?        
1 1 1 3   33 13 o 77.55863 4.196319 300.0119       31.73835 0.000000       0.000000 300.0119       31.73835 ?        ?        77.55863 4.196319 ?              ?        
1 1 1 3   33 14 o 81.85684 3.717413 332.9234       29.70757 0.000000       0.000000 332.9234       29.70757 ?        ?        81.85684 3.717413 ?              ?        
1 1 1 3   33 15 o 23.35435 8.117760 26.36217       22.70765 0.000000       0.000000 26.36217       22.70765 ?        ?        23.35435 8.117760 ?              ?        
1 1 1 3   33 16 o 23.01466 6.857080 27.62306       16.60114 0.000000       0.000000 27.62306       16.60114 ?        ?        23.01466 6.857080 ?              ?        
1 1 1 3   33 17 o 67.54661 3.452520 226.6582       22.75112 0.000000       0.000000 226.6582       22.75112 ?        ?        67.54661 3.452520 ?              ?        
1 1 1 3   33 18 o 79.88912 3.661098 317.6721       28.55283 345.2000       55.37263 307.7015       33.32497 81.52436 7.006983 78.34818 4.362676 3.176178       8.254135 
1 1 1 3   33 19 o 59.09792 6.437757 181.0386       36.63898 154.2000       43.43925 247.2000       68.20328 53.34867 8.611854 66.04978 10.93144 -12.70111      13.91619 
1 1 1 3   33 20 f 50.71613 7.270736 136.3069       35.06263 122.9000       41.50866 169.7000       65.50943 46.98674 9.354161 52.86518 12.79829 -5.878437      15.85233 
1 1 1 3   33 21 o 56.42470 6.715172 166.9934       36.36116 202.7000       44.55606 95.80000       62.91471 61.72360 7.530503 39.39204 13.52044 22.33156       15.47614 
1 1 1 3   33 22 o 51.64517 7.259758 142.3041       35.68760 146.1000       43.79314 134.8000       61.57457 51.22165 9.066382 46.24755 13.04162 4.974102       15.88343 
1 1 1 3   33 23 o 92.84806 5.371575 441.4943       48.60967 486.1000       63.46745 378.2000       75.60287 96.19440 6.784056 82.08286 9.590311 14.11153       11.74723 
1 1 1 3   33 24 o 95.85313 5.344812 470.7216       49.94841 521.7000       65.31203 398.9000       77.52254 99.63695 6.736389 84.20994 9.574814 15.42701       11.70709 
1 1 1 3   33 25 o 34.03263 12.93687 68.29000       59.51918 0.000000       0.000000 68.29000       59.51918 ?        ?        34.03263 12.93687 ?              ?        
1 1 1 3   33 26 o 81.86950 7.139168 358.1000       56.63887 358.1000       56.63887 0.000000       0.000000 81.86950 7.139168 ?        ?        ?              ?        
1 1 1 3   33 27 o 51.55490 7.306832 143.9542       35.84084 131.1000       43.28185 172.0000       63.93193 47.54590 9.630590 51.71605 12.71918 -4.170151      15.95386 
1 1 1 3   33 28 o 69.56010 7.751750 264.0000       51.88385 264.0000       51.88385 0.000000       0.000000 69.56010 7.751750 ?        ?        ?              ?        
1 1 1 3   33 29 o 34.34715 9.519090 69.62310       33.10972 52.05000       40.90766 103.0000       56.37718 30.05324 10.85147 39.43606 12.78327 -9.382824      16.76802 
1 1 1 3   33 30 o 42.76068 12.59504 121.7000       56.26965 0.000000       0.000000 121.7000       56.26965 ?        ?        42.76068 12.59504 ?              ?        
1 1 1 3   33 31 o 32.28920 9.563208 62.18894       32.36658 33.06000       40.93092 110.8000       52.87577 26.32086 10.51598 40.93333 12.24766 -14.61247      16.14284 
1 1 1 3   33 32 o 34.11246 12.37958 75.79000       53.32680 0.000000       0.000000 75.79000       53.32680 ?        ?        34.11246 12.37958 ?              ?        
1 1 1 3   33 33 o 42.85048 12.27111 123.6000       54.09575 0.000000       0.000000 123.6000       54.09575 ?        ?        42.85048 12.27111 ?              ?        
1 1 1 3   33 34 o 29.68106 9.310161 52.95132       30.10040 0.000000       0.000000 52.95132       30.10040 ?        ?        29.68106 9.310161 ?              ?        
1 1 1 3   33 35 o 25.82278 9.178359 37.87085       29.14262 0.000000       0.000000 37.87085       29.14262 ?        ?        25.82278 9.178359 ?              ?        
1 1 1 3   33 36 o 42.01730 8.163224 101.9231       32.36332 0.000000       0.000000 101.9231       32.36332 ?        ?        42.01730 8.163224 ?              ?        
1 1 1 3   33 37 o 25.55935 9.388317 36.52542       30.80632 0.000000       0.000000 36.52542       30.80632 ?        ?        25.55935 9.388317 ?              ?        
1 1 1 3   33 38 o 22.00690 8.997329 19.63684       30.74567 0.000000       0.000000 19.63684       30.74567 ?        ?        22.00690 8.997329 ?              ?        
1 1 1 3   33 39 o 29.73565 10.85153 55.88000       41.05471 0.000000       0.000000 55.88000       41.05471 ?        ?        29.73565 10.85153 ?              ?        
1 1 1 3   33 40 o 21.55473 9.017982 16.24618       31.87632 0.000000       0.000000 16.24618       31.87632 ?        ?        21.55473 9.017982 ?              ?        
1 1 1 3   33 41 o 19.83376 8.514828 8.838571       29.67928 0.000000       0.000000 8.838571       29.67928 ?        ?        19.83376 8.514828 ?              ?        
1 1 1 3   33 42 o 43.16940 7.998190 108.1248       32.55239 0.000000       0.000000 108.1248       32.55239 ?        ?        43.16940 7.998190 ?              ?        
1 1 1 3   33 43 o 28.76394 9.318772 51.24998       29.96205 0.000000       0.000000 51.24998       29.96205 ?        ?        28.76394 9.318772 ?              ?        
1 1 1 3   33 44 o 16.96170 7.729483 -7.250216      28.31508 0.000000       0.000000 -7.250216      28.31508 ?        ?        16.96170 7.729483 ?              ?        
1 1 1 3   33 45 o 36.45372 8.741817 81.95014       30.78933 0.000000       0.000000 81.95014       30.78933 ?        ?        36.45372 8.741817 ?              ?        
1 1 1 3   33 46 o 27.86287 9.257321 49.46312       29.49079 0.000000       0.000000 49.46312       29.49079 ?        ?        27.86287 9.257321 ?              ?        
1 1 1 3   34 0  o 48.19784 6.543035 119.8588       30.07194 0.000000       0.000000 119.8588       30.07194 ?        ?        48.19784 6.543035 ?              ?        
1 1 1 3   34 1  o 54.95344 4.256883 151.0139       22.71933 148.6000       49.67320 151.6525       25.54819 52.11009 10.10330 54.91268 4.801398 -2.802586      11.18616 
1 1 1 3   34 2  o 66.72705 4.544320 222.8603       29.50378 312.0000       55.97535 188.5688       34.71799 77.65144 7.455977 60.88288 5.899620 16.76856       9.507739 
1 1 1 3   34 3  o 75.54991 4.300577 284.8091       31.67155 342.1000       58.27430 260.7922       37.73050 81.36374 7.397920 71.88425 5.401834 9.479485       9.160187 
1 1 1 3   34 4  o 54.08151 4.444394 146.5945       23.31965 46.98000       48.22879 176.9899       26.64090 31.42903 11.70982 59.40379 4.617970 -27.97476      12.58751 
1 1 1 3   34 5  o 83.84984 3.612346 348.7628       29.57861 349.3000       61.97611 348.6043       33.65937 81.94300 7.821709 83.66203 4.122980 -1.719025      8.841838 
1 1 1 3   34 6  f 161.6526 3.885288 1296.500       61.47693 1577.000       136.8358 1225.563       68.81284 174.2914 8.042478 156.7518 4.489504 17.53960       9.210705 
1 1 1 3   34 7  o 62.15523 4.205003 193.0047       25.43233 190.7000       50.33409 193.7948       29.47100 59.77636 8.871250 62.06211 4.890844 -2.285755      10.13013 
1 1 1 3   34 8  o 73.25956 3.831832 267.0109       27.38196 282.1000       53.34303 261.6125       31.90634 73.66544 7.502477 72.27927 4.532615 1.386162       8.765373 
1 1 1 3   34 9  o 59.42700 4.252581 176.7108       24.57324 217.6000       46.69887 161.0534       28.89756 64.56873 7.530042 56.37635 5.298828 8.192371       9.207558 
1 1 1 3   34 10 o 28.43199 8.349152 43.27140       24.75808 0.000000       0.000000 43.27140       24.75808 ?        ?        28.43199 8.349152 ?              ?        
1 1 1 3   34 11 o 29.63918 7.112272 46.86083       20.37009 0.000000       0.000000 46.86083       20.37009 ?        ?        29.63918 7.112272 ?              ?        
1 1 1 3   34 12 o 39.61906 5.615186 80.70129       21.16643 0.000000       0.000000 80.70129       21.16643 ?        ?        39.61906 5.615186 ?              ?        
1 1 1 3   34 13 o 58.76787 5.622141 176.0653       31.94676 0.000000       0.000000 176.0653       31.94676 ?        ?        58.76787 5.622141 ?              ?        
1 1 1 3   34 14 o 59.83632 3.843230 178.7821       22.39056 0.000000       0.000000 178.7821       22.39056 ?        ?        59.83632 3.843230 ?              ?        
1 1 1 3   34 15 o 19.50487 7.571390 14.00031       20.68380 0.000000       0.000000 14.00031       20.68380 ?        ?        19.50487 7.571390 ?              ?        
1 1 1 3   34 16 o 57.49118 11.81819 193.3000       64.28191 0.000000       0.000000 193.3000       64.28191 ?        ?        57.49118 11.81819 ?              ?        
1 1 1 3   34 17 o 81.88168 3.185516 332.8517       25.48258 0.000000       0.000000 332.8517       25.48258 ?        ?        81.88168 3.185516 ?              ?        
1 1 1 3   34 18 o 91.67470 3.054718 416.9084       27.37284 0.000000       0.000000 416.9084       27.37284 ?        ?        91.67470 3.054718 ?              ?        
1 1 1 3   34 19 o 28.42789 10.29880 42.21013       36.88576 0.000000       0.000000 42.21013       36.88576 ?        ?        28.42789 10.29880 ?              ?        
1 1 1 3   34 20 o 30.64421 10.56415 52.79484       38.42284 0.000000       0.000000 52.79484       38.42284 ?        ?        30.64421 10.56415 ?              ?        
1 1 1 3   34 21 o 58.96498 11.67923 209.8000       65.02359 0.000000       0.000000 209.8000       65.02359 ?        ?        58.96498 11.67923 ?              ?        
1 1 1 3   34 22 o 44.87385 13.00366 130.3000       60.40988 0.000000       0.000000 130.3000       60.40988 ?        ?        44.87385 13.00366 ?              ?        
1 1 1 3   34 23 o 71.08507 10.28481 293.3000       69.48444 0.000000       0.000000 293.3000       69.48444 ?        ?        71.08507 10.28481 ?              ?        
1 1 1 3   34 24 o 50.43378 12.82484 164.5000       63.44453 0.000000       0.000000 164.5000       63.44453 ?        ?        50.43378 12.82484 ?              ?        
1 1 1 3   34 25 o 58.08578 11.77608 208.6000       64.65953 0.000000       0.000000 208.6000       64.65953 ?        ?        58.08578 11.77608 ?              ?        
1 1 1 3   34 26 o 45.33966 12.79203 135.4000       59.22490 0.000000       0.000000 135.4000       59.22490 ?        ?        45.33966 12.79203 ?              ?        
1 1 1 3   34 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   34 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   34 29 o 20.00281 9.560094 -44.88000      52.70047 0.000000       0.000000 -44.88000      52.70047 ?        ?        20.00281 9.560094 ?              ?        
1 1 1 3   34 30 o 43.63358 8.295354 108.5000       34.13465 0.000000       0.000000 108.5000       34.13465 ?        ?        43.63358 8.295354 ?              ?        
1 1 1 3   34 31 o 22.54738 9.031437 21.54703       30.26909 0.000000       0.000000 21.54703       30.26909 ?        ?        22.54738 9.031437 ?              ?        
1 1 1 3   34 32 o 49.33745 7.213206 134.7153       33.80527 0.000000       0.000000 134.7153       33.80527 ?        ?        49.33745 7.213206 ?              ?        
1 1 1 3   34 33 o 30.72240 9.185022 57.05392       29.74708 0.000000       0.000000 57.05392       29.74708 ?        ?        30.72240 9.185022 ?              ?        
1 1 1 3   34 34 o 37.21429 8.676624 82.23774       31.02102 0.000000       0.000000 82.23774       31.02102 ?        ?        37.21429 8.676624 ?              ?        
1 1 1 3   34 35 o 30.03833 9.403488 55.03500       30.72236 0.000000       0.000000 55.03500       30.72236 ?        ?        30.03833 9.403488 ?              ?        
1 1 1 3   34 36 o 25.50050 9.381724 36.78645       30.78312 0.000000       0.000000 36.78645       30.78312 ?        ?        25.50050 9.381724 ?              ?        
1 1 1 3   34 37 o 25.03418 10.24063 30.17000       39.85709 0.000000       0.000000 30.17000       39.85709 ?        ?        25.03418 10.24063 ?              ?        
1 1 1 3   34 38 o 31.83569 9.657326 63.40876       32.71169 0.000000       0.000000 63.40876       32.71169 ?        ?        31.83569 9.657326 ?              ?        
1 1 1 3   34 39 o 19.31581 9.163017 -30.06000      46.60382 0.000000       0.000000 -30.06000      46.60382 ?        ?        19.31581 9.163017 ?              ?        
1 1 1 3   34 40 o 28.56249 9.465019 50.42472       30.83407 0.000000       0.000000 50.42472       30.83407 ?        ?        28.56249 9.465019 ?              ?        
1 1 1 3   34 41 o 23.87566 9.077197 30.77619       29.30496 0.000000       0.000000 30.77619       29.30496 ?        ?        23.87566 9.077197 ?              ?        
1 1 1 3   34 42 o 22.69497 8.973249 25.64571       29.50482 0.000000       0.000000 25.64571       29.50482 ?        ?        22.69497 8.973249 ?              ?        
1 1 1 3   34 43 o 14.84719 7.046722 -23.40768      27.62994 0.000000       0.000000 -23.40768      27.62994 ?        ?        14.84719 7.046722 ?              ?        
1 1 1 3   34 44 o 27.08022 9.190074 46.21719       29.05244 0.000000       0.000000 46.21719       29.05244 ?        ?        27.08022 9.190074 ?              ?        
1 1 1 3   34 45 o 27.98407 11.44552 53.21000       49.77813 0.000000       0.000000 53.21000       49.77813 ?        ?        27.98407 11.44552 ?              ?        
1 1 1 3   35 0  o 52.20241 4.974851 137.8477       25.11307 0.000000       0.000000 137.8477       25.11307 ?        ?        52.20241 4.974851 ?              ?        
1 1 1 3   35 1  o 64.61990 4.381238 209.2413       27.54824 0.000000       0.000000 209.2413       27.54824 ?        ?        64.61990 4.381238 ?              ?        
1 1 1 3   35 2  o 44.05442 5.067165 98.63607       21.45300 90.57000       46.45578 100.8224       24.18637 39.80111 11.36318 44.33249 5.705846 -4.531380      12.71529 
1 1 1 3   35 3  o 40.59388 6.634158 86.13969       25.45077 104.4000       45.13815 77.62859       30.81645 42.92955 10.76321 37.78282 8.534761 5.146736       13.73640 
1 1 1 3   35 4  o 59.26842 4.899294 177.2749       28.16889 166.8000       48.71500 182.5367       34.52629 55.39402 9.314704 59.71170 5.987957 -4.317677      11.07336 
1 1 1 3   35 5  o 66.93250 3.947494 223.5330       25.74732 236.3000       52.71426 219.5329       29.50637 66.77840 8.239189 66.10791 4.588382 0.6704941      9.430668 
1 1 1 3   35 6  o 48.38378 4.867771 118.4966       22.74049 96.08000       46.21009 125.6601       26.12251 40.95155 11.20519 49.62965 5.467843 -8.678101      12.46810 
1 1 1 3   35 7  o 57.88270 4.301767 168.0618       24.19837 160.9000       47.27280 170.6048       28.16867 54.38154 9.209161 58.07530 5.004040 -3.693764      10.48089 
1 1 1 3   35 8  o 53.60891 4.522720 144.7309       23.51130 37.22000       42.76796 191.2946       28.14595 28.64113 10.94723 61.61535 4.702340 -32.97422      11.91444 
1 1 1 3   35 9  o 31.05013 7.192106 51.72577       21.42887 39.88000       38.80856 56.92158       25.70234 28.58517 10.53094 32.32121 8.132197 -3.736046      13.30539 
1 1 1 3   35 10 o 53.82101 4.471255 145.9828       23.34272 0.000000       0.000000 145.9828       23.34272 ?        ?        53.82101 4.471255 ?              ?        
1 1 1 3   35 11 o 46.73664 5.461302 112.0444       24.51344 0.000000       0.000000 112.0444       24.51344 ?        ?        46.73664 5.461302 ?              ?        
1 1 1 3   35 12 o 42.52610 5.721161 93.51118       23.21116 0.000000       0.000000 93.51118       23.21116 ?        ?        42.52610 5.721161 ?              ?        
1 1 1 3   35 13 o 24.82580 7.242304 32.98775       18.68216 0.000000       0.000000 32.98775       18.68216 ?        ?        24.82580 7.242304 ?              ?        
1 1 1 3   35 14 f 94.16150 8.487913 478.5000       77.39236 0.000000       0.000000 478.5000       77.39236 ?        ?        94.16150 8.487913 ?              ?        
1 1 1 3   35 15 o 20.98160 7.958437 18.66028       22.49467 0.000000       0.000000 18.66028       22.49467 ?        ?        20.98160 7.958437 ?              ?        
1 1 1 3   35 16 o 68.43604 3.329614 233.4488       22.23717 0.000000       0.000000 233.4488       22.23717 ?        ?        68.43604 3.329614 ?              ?        
1 1 1 3   35 17 o 11.39366 5.101466 -4.344384      11.71354 0.000000       0.000000 -4.344384      11.71354 ?        ?        11.39366 5.101466 ?              ?        
1 1 1 3   35 18 o 46.11621 3.226312 106.2841       14.47164 0.000000       0.000000 106.2841       14.47164 ?        ?        46.11621 3.226312 ?              ?        
1 1 1 3   35 19 o 52.62560 8.137272 152.2886       40.56518 0.000000       0.000000 152.2886       40.56518 ?        ?        52.62560 8.137272 ?              ?        
1 1 1 3   35 20 o 31.67631 10.34519 58.66307       36.88612 0.000000       0.000000 58.66307       36.88612 ?        ?        31.67631 10.34519 ?              ?        
1 1 1 3   35 21 o 49.43852 8.472362 136.7648       39.52481 0.000000       0.000000 136.7648       39.52481 ?        ?        49.43852 8.472362 ?              ?        
1 1 1 3   35 22 o 53.50922 8.031170 158.1626       40.76712 0.000000       0.000000 158.1626       40.76712 ?        ?        53.50922 8.031170 ?              ?        
1 1 1 3   35 23 o 43.06226 9.207851 107.3795       37.63608 0.000000       0.000000 107.3795       37.63608 ?        ?        43.06226 9.207851 ?              ?        
1 1 1 3   35 24 o 34.16997 9.829191 69.62626       34.63383 0.000000       0.000000 69.62626       34.63383 ?        ?        34.16997 9.829191 ?              ?        
1 1 1 3   35 25 o 45.78223 10.39808 126.7000       45.53111 0.000000       0.000000 126.7000       45.53111 ?        ?        45.78223 10.39808 ?              ?        
1 1 1 3   35 26 o 23.67854 9.345341 25.17101       31.95030 0.000000       0.000000 25.17101       31.95030 ?        ?        23.67854 9.345341 ?              ?        
1 1 1 3   35 27 o 37.11665 9.328757 81.88930       33.84840 0.000000       0.000000 81.88930       33.84840 ?        ?        37.11665 9.328757 ?              ?        
1 1 1 3   35 28 o 30.86423 12.04401 57.07000       52.55569 0.000000       0.000000 57.07000       52.55569 ?        ?        30.86423 12.04401 ?              ?        
1 1 1 3   35 29 f 20.36366 8.681322 9.320272       30.46103 0.000000       0.000000 9.320272       30.46103 ?        ?        20.36366 8.681322 ?              ?        
1 1 1 3   35 30 o 28.24260 10.66673 46.55000       40.30823 0.000000       0.000000 46.55000       40.30823 ?        ?        28.24260 10.66673 ?              ?        
1 1 1 3   35 31 o 32.92365 12.36482 73.52000       53.99464 0.000000       0.000000 73.52000       53.99464 ?        ?        32.92365 12.36482 ?              ?        
1 1 1 3   35 32 o 38.75885 8.754757 89.37941       32.42711 0.000000       0.000000 89.37941       32.42711 ?        ?        38.75885 8.754757 ?              ?        
1 1 1 3   35 33 o 35.80988 9.170240 77.99195       32.27995 0.000000       0.000000 77.99195       32.27995 ?        ?        35.80988 9.170240 ?              ?        
1 1 1 3   35 34 o 38.96941 8.861279 90.91822       33.03386 0.000000       0.000000 90.91822       33.03386 ?        ?        38.96941 8.861279 ?              ?        
1 1 1 3   35 35 o 46.45052 7.888315 123.7333       34.58436 0.000000       0.000000 123.7333       34.58436 ?        ?        46.45052 7.888315 ?              ?        
1 1 1 3   35 36 o 23.78775 10.04667 22.46000       40.15368 0.000000       0.000000 22.46000       40.15368 ?        ?        23.78775 10.04667 ?              ?        
1 1 1 3   35 37 o 24.18982 9.249525 31.38239       30.53951 0.000000       0.000000 31.38239       30.53951 ?        ?        24.18982 9.249525 ?              ?        
1 1 1 3   35 38 o 41.74840 12.22240 123.9000       53.12658 0.000000       0.000000 123.9000       53.12658 ?        ?        41.74840 12.22240 ?              ?        
1 1 1 3   35 39 o 20.50053 8.681850 12.93303       30.11962 0.000000       0.000000 12.93303       30.11962 ?        ?        20.50053 8.681850 ?              ?        
1 1 1 3   35 40 o 29.19015 9.428085 53.24838       30.68338 0.000000       0.000000 53.24838       30.68338 ?        ?        29.19015 9.428085 ?              ?        
1 1 1 3   35 41 o 23.46262 9.023055 29.84521       29.17538 0.000000       0.000000 29.84521       29.17538 ?        ?        23.46262 9.023055 ?              ?        
1 1 1 3   35 42 o 20.61987 8.559286 16.83779       28.38890 0.000000       0.000000 16.83779       28.38890 ?        ?        20.61987 8.559286 ?              ?        
1 1 1 3   35 43 o 21.92159 8.774605 24.09877       28.55135 0.000000       0.000000 24.09877       28.55135 ?        ?        21.92159 8.774605 ?              ?        
1 1 1 3   36 0  o 58.54348 4.138597 172.0210       23.56295 212.3000       53.03854 162.1163       26.30095 62.46680 8.927979 56.58450 4.793689 5.882298       10.13352 
1 1 1 3   36 1  o 46.09663 4.898159 108.1115       21.76286 151.2000       48.87285 97.45438       24.30563 51.91142 9.980756 43.38054 5.874939 8.530880       11.58147 
1 1 1 3   36 2  o 65.83500 4.365565 217.9349       27.97329 0.000000       0.000000 217.9349       27.97329 ?        ?        65.83500 4.365565 ?              ?        
1 1 1 3   36 3  o 83.05505 3.578672 343.5135       29.02511 347.3000       62.13198 342.4566       32.82727 80.86058 7.952843 82.72051 4.066761 -1.859932      8.932315 
1 1 1 3   36 4  o 35.14344 7.425801 66.61958       24.74308 95.25000       43.24924 52.68933       30.16783 40.56694 10.72888 30.84213 9.256486 9.724802       14.17008 
1 1 1 3   36 5  o 46.96578 5.931484 114.2355       26.66083 93.34000       44.69915 125.7741       33.21602 39.96997 11.05377 48.72500 7.179425 -8.755024      13.18066 
1 1 1 3   36 6  o 23.82211 7.808665 29.43743       21.00671 16.75000       41.36736 33.84596       24.38474 24.72549 10.30348 25.42255 8.416883 -0.6970673     13.30434 
1 1 1 3   36 7  o 55.97467 4.429302 158.1608       24.07027 142.8000       46.04869 163.9357       28.23464 50.42860 9.680873 56.69814 5.143440 -6.269539      10.96240 
1 1 1 3   36 8  o 37.64217 6.107923 74.35390       21.73410 27.18000       38.58741 96.27325       26.30320 25.85388 10.24929 42.76806 6.486497 -16.91418      12.12941 
1 1 1 3   36 9  o 45.36219 5.175673 105.5841       22.57020 0.000000       0.000000 105.5841       22.57020 ?        ?        45.36219 5.175673 ?              ?        
1 1 1 3   36 10 o 39.95291 6.410198 84.29754       24.22086 0.000000       0.000000 84.29754       24.22086 ?        ?        39.95291 6.410198 ?              ?        
1 1 1 3   36 11 o 21.88761 7.713475 23.51372       20.54608 0.000000       0.000000 23.51372       20.54608 ?        ?        21.88761 7.713475 ?              ?        
1 1 1 3   36 12 o 22.02562 9.320373 10.13224       34.66748 0.000000       0.000000 10.13224       34.66748 ?        ?        22.02562 9.320373 ?              ?        
1 1 1 3   36 13 f 33.21363 6.796236 59.61201       21.34963 0.000000       0.000000 59.61201       21.34963 ?        ?        33.21363 6.796236 ?              ?        
1 1 1 3   36 14 o 78.04488 4.325388 307.8423       32.91348 0.000000       0.000000 307.8423       32.91348 ?        ?        78.04488 4.325388 ?              ?        
1 1 1 3   36 15 o 21.13573 6.783628 23.34959       15.90163 0.000000       0.000000 23.34959       15.90163 ?        ?        21.13573 6.783628 ?              ?        
1 1 1 3   36 16 o 48.53775 4.593739 120.2774       21.56519 0.000000       0.000000 120.2774       21.56519 ?        ?        48.53775 4.593739 ?              ?        
1 1 1 3   36 17 o 24.56942 5.625361 32.25769       13.23623 0.000000       0.000000 32.25769       13.23623 ?        ?        24.56942 5.625361 ?              ?        
1 1 1 3   36 18 o 40.41578 3.424617 82.13290       13.42039 0.000000       0.000000 82.13290       13.42039 ?        ?        40.41578 3.424617 ?              ?        
1 1 1 3   36 19 o 51.32805 8.049995 145.9754       39.11522 0.000000       0.000000 145.9754       39.11522 ?        ?        51.32805 8.049995 ?              ?        
1 1 1 3   36 20 o 41.00695 9.520120 98.74607       37.47633 0.000000       0.000000 98.74607       37.47633 ?        ?        41.00695 9.520120 ?              ?        
1 1 1 3   36 21 o 25.49720 9.834212 31.80848       34.72867 0.000000       0.000000 31.80848       34.72867 ?        ?        25.49720 9.834212 ?              ?        
1 1 1 3   36 22 o 68.59119 6.488085 250.2731       43.04259 0.000000       0.000000 250.2731       43.04259 ?        ?        68.59119 6.488085 ?              ?        
1 1 1 3   36 23 f 20.19783 8.815576 3.556142       32.88726 0.000000       0.000000 3.556142       32.88726 ?        ?        20.19783 8.815576 ?              ?        
1 1 1 3   36 24 o 40.59993 11.11826 104.5000       45.47404 0.000000       0.000000 104.5000       45.47404 ?        ?        40.59993 11.11826 ?              ?        
1 1 1 3   36 25 o 49.27930 7.630343 135.1444       35.61707 0.000000       0.000000 135.1444       35.61707 ?        ?        49.27930 7.630343 ?              ?        
1 1 1 3   36 26 o 22.99977 10.40860 -1.726000      50.26112 0.000000       0.000000 -1.726000      50.26112 ?        ?        22.99977 10.40860 ?              ?        
1 1 1 3   36 27 o 21.38152 9.005228 13.56817       32.11552 0.000000       0.000000 13.56817       32.11552 ?        ?        21.38152 9.005228 ?              ?        
1 1 1 3   36 28 o 22.14213 9.115493 18.76681       31.83820 0.000000       0.000000 18.76681       31.83820 ?        ?        22.14213 9.115493 ?              ?        
1 1 1 3   36 29 o 39.02229 9.053539 91.48746       33.91081 0.000000       0.000000 91.48746       33.91081 ?        ?        39.02229 9.053539 ?              ?        
1 1 1 3   36 30 o 40.16204 8.899279 96.52351       34.06374 0.000000       0.000000 96.52351       34.06374 ?        ?        40.16204 8.899279 ?              ?        
1 1 1 3   36 31 o 46.40821 7.825023 123.0500       34.28272 0.000000       0.000000 123.0500       34.28272 ?        ?        46.40821 7.825023 ?              ?        
1 1 1 3   36 32 o 41.79716 10.76175 113.3000       44.29146 0.000000       0.000000 113.3000       44.29146 ?        ?        41.79716 10.76175 ?              ?        
1 1 1 3   36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   36 34 o 23.10274 9.223471 25.59580       31.46444 0.000000       0.000000 25.59580       31.46444 ?        ?        23.10274 9.223471 ?              ?        
1 1 1 3   36 35 o 24.15603 10.07709 25.70000       39.63234 0.000000       0.000000 25.70000       39.63234 ?        ?        24.15603 10.07709 ?              ?        
1 1 1 3   36 36 o 16.39548 7.640485 -16.66279      29.96061 0.000000       0.000000 -16.66279      29.96061 ?        ?        16.39548 7.640485 ?              ?        
1 1 1 3   36 37 o 40.49930 8.947461 99.80794       34.52250 0.000000       0.000000 99.80794       34.52250 ?        ?        40.49930 8.947461 ?              ?        
1 1 1 3   36 38 o 29.79588 9.540838 55.98846       31.46846 0.000000       0.000000 55.98846       31.46846 ?        ?        29.79588 9.540838 ?              ?        
1 1 1 3   36 39 o 22.38432 9.020109 23.87164       30.38611 0.000000       0.000000 23.87164       30.38611 ?        ?        22.38432 9.020109 ?              ?        
1 1 1 3   36 40 o 29.43739 9.360383 55.34137       30.33113 0.000000       0.000000 55.34137       30.33113 ?        ?        29.43739 9.360383 ?              ?        
1 1 1 3   36 41 o 25.35922 9.237235 39.42115       29.72857 0.000000       0.000000 39.42115       29.72857 ?        ?        25.35922 9.237235 ?              ?        
1 1 1 3   36 42 o 31.14632 9.208049 62.84452       30.02928 0.000000       0.000000 62.84452       30.02928 ?        ?        31.14632 9.208049 ?              ?        
1 1 1 3   37 0  o 63.47916 3.952418 202.4675       24.43657 156.0000       52.43061 215.3626       27.61989 51.62932 10.72571 65.30212 4.345769 -13.67279      11.57266 
1 1 1 3   37 1  o 14.95573 6.620409 -3.933080      19.15828 55.69000       43.44244 -18.32852      21.34615 31.50145 11.20521 13.65679 6.392050 17.84465       12.90020 
1 1 1 3   37 2  o 43.67745 5.186938 98.26152       21.74303 27.49000       45.34183 119.3957       24.77776 26.75045 10.93023 48.12459 5.350375 -21.37414      12.16949 
1 1 1 3   37 3  o 13.60607 6.379205 -18.89791      21.41423 0.000000       0.000000 -18.89791      21.41423 ?        ?        13.60607 6.379205 ?              ?        
1 1 1 3   37 4  o 28.99932 7.334832 46.10937       20.83105 33.27000       41.81189 50.34843       24.02500 27.13955 10.69710 30.09971 8.013062 -2.960161      13.36552 
1 1 1 3   37 5  o 21.33097 8.177551 19.24224       23.91220 52.61000       41.39931 2.536786       29.29265 30.68349 10.93597 19.42262 8.399585 11.26086       13.78943 
1 1 1 3   37 6  o 30.16166 8.158937 50.84388       24.66517 92.66000       41.23347 27.54380       30.77916 39.51392 10.48773 24.41121 9.297503 15.10271       14.01556 
1 1 1 3   37 7  o 41.84393 5.539106 91.17738       22.13037 78.23000       40.18953 96.81161       26.51182 36.19036 10.64024 42.64658 6.561071 -6.456223      12.50049 
1 1 1 3   37 8  o 70.82220 3.897799 252.1822       26.91642 0.000000       0.000000 252.1822       26.91642 ?        ?        70.82220 3.897799 ?              ?        
1 1 1 3   37 9  o 36.29918 7.165808 71.78085       24.55646 0.000000       0.000000 71.78085       24.55646 ?        ?        36.29918 7.165808 ?              ?        
1 1 1 3   37 10 o 31.39186 9.830669 57.11821       33.57405 0.000000       0.000000 57.11821       33.57405 ?        ?        31.39186 9.830669 ?              ?        
1 1 1 3   37 11 o 47.47934 5.508370 117.1972       25.12512 0.000000       0.000000 117.1972       25.12512 ?        ?        47.47934 5.508370 ?              ?        
1 1 1 3   37 12 o 54.29700 4.719532 150.7236       24.83416 0.000000       0.000000 150.7236       24.83416 ?        ?        54.29700 4.719532 ?              ?        
1 1 1 3   37 13 o 30.55964 6.432602 50.51800       18.63186 0.000000       0.000000 50.51800       18.63186 ?        ?        30.55964 6.432602 ?              ?        
1 1 1 3   37 14 o 80.95343 4.263392 331.9003       33.66379 0.000000       0.000000 331.9003       33.66379 ?        ?        80.95343 4.263392 ?              ?        
1 1 1 3   37 15 o 79.91805 3.339118 319.3658       26.06304 0.000000       0.000000 319.3658       26.06304 ?        ?        79.91805 3.339118 ?              ?        
1 1 1 3   37 16 o 22.90907 7.038501 28.43245       17.30378 0.000000       0.000000 28.43245       17.30378 ?        ?        22.90907 7.038501 ?              ?        
1 1 1 3   37 17 o 27.18747 5.376389 39.27499       13.80046 0.000000       0.000000 39.27499       13.80046 ?        ?        27.18747 5.376389 ?              ?        
1 1 1 3   37 18 o 43.26279 3.350277 94.06622       14.07688 0.000000       0.000000 94.06622       14.07688 ?        ?        43.26279 3.350277 ?              ?        
1 1 1 3   37 19 o 45.40191 8.581150 117.5242       36.73822 0.000000       0.000000 117.5242       36.73822 ?        ?        45.40191 8.581150 ?              ?        
1 1 1 3   37 20 o 43.48785 8.892551 109.4876       36.57474 0.000000       0.000000 109.4876       36.57474 ?        ?        43.48785 8.892551 ?              ?        
1 1 1 3   37 21 o 43.83928 8.846395 111.4942       36.65041 0.000000       0.000000 111.4942       36.65041 ?        ?        43.83928 8.846395 ?              ?        
1 1 1 3   37 22 o 29.79881 10.79660 53.06000       40.53914 0.000000       0.000000 53.06000       40.53914 ?        ?        29.79881 10.79660 ?              ?        
1 1 1 3   37 23 o 48.55573 10.04484 143.1000       46.16488 0.000000       0.000000 143.1000       46.16488 ?        ?        48.55573 10.04484 ?              ?        
1 1 1 3   37 24 o 48.63204 7.847541 133.1615       36.08484 0.000000       0.000000 133.1615       36.08484 ?        ?        48.63204 7.847541 ?              ?        
1 1 1 3   37 25 o 29.62731 11.89517 51.58000       52.63675 0.000000       0.000000 51.58000       52.63675 ?        ?        29.62731 11.89517 ?              ?        
1 1 1 3   37 26 f 38.95504 9.126390 91.44983       34.18623 0.000000       0.000000 91.44983       34.18623 ?        ?        38.95504 9.126390 ?              ?        
1 1 1 3   37 27 o 27.21503 9.560232 44.00308       31.54392 0.000000       0.000000 44.00308       31.54392 ?        ?        27.21503 9.560232 ?              ?        
1 1 1 3   37 28 o 22.57190 9.122988 22.63335       31.18618 0.000000       0.000000 22.63335       31.18618 ?        ?        22.57190 9.122988 ?              ?        
1 1 1 3   37 29 f 22.38767 9.131706 21.35864       31.58070 0.000000       0.000000 21.35864       31.58070 ?        ?        22.38767 9.131706 ?              ?        
1 1 1 3   37 30 o 27.84447 9.643283 47.04054       32.03068 0.000000       0.000000 47.04054       32.03068 ?        ?        27.84447 9.643283 ?              ?        
1 1 1 3   37 31 o 42.96494 8.596222 109.6034       34.88841 0.000000       0.000000 109.6034       34.88841 ?        ?        42.96494 8.596222 ?              ?        
1 1 1 3   37 32 o 72.19435 5.928937 279.7035       41.52848 0.000000       0.000000 279.7035       41.52848 ?        ?        72.19435 5.928937 ?              ?        
1 1 1 3   37 33 o 27.38459 10.73930 44.49000       41.95792 0.000000       0.000000 44.49000       41.95792 ?        ?        27.38459 10.73930 ?              ?        
1 1 1 3   37 34 o 15.88652 7.491064 -22.13870      30.28021 0.000000       0.000000 -22.13870      30.28021 ?        ?        15.88652 7.491064 ?              ?        
1 1 1 3   37 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   37 36 o 21.45422 8.919143 18.08925       30.89255 0.000000       0.000000 18.08925       30.89255 ?        ?        21.45422 8.919143 ?              ?        
1 1 1 3   37 37 o 41.85877 8.378785 104.5381       33.13116 0.000000       0.000000 104.5381       33.13116 ?        ?        41.85877 8.378785 ?              ?        
1 1 1 3   37 38 o 46.97263 7.646989 128.0231       33.95108 0.000000       0.000000 128.0231       33.95108 ?        ?        46.97263 7.646989 ?              ?        
1 1 1 3   37 39 o 31.46612 9.361858 64.08044       30.96174 0.000000       0.000000 64.08044       30.96174 ?        ?        31.46612 9.361858 ?              ?        
1 1 1 3   37 40 o 20.20166 8.504934 15.39216       28.62818 0.000000       0.000000 15.39216       28.62818 ?        ?        20.20166 8.504934 ?              ?        
1 1 1 3   38 0  o 13.47997 6.138736 -8.825168      17.82186 30.95000       41.57672 -17.77860      19.72599 26.42455 10.58468 12.98875 6.100176 13.43581       12.21669 
1 1 1 3   38 1  o 61.46193 3.854992 190.2496       23.07508 157.6000       47.38314 200.3999       26.41958 52.28112 9.613328 62.86234 4.319939 -10.58122      10.53935 
1 1 1 3   38 2  o 18.60041 7.205925 13.61822       18.70687 24.37000       39.01122 10.40765       21.31769 24.94406 10.15873 18.52706 7.522826 6.417004       12.64092 
1 1 1 3   38 3  o 19.93464 7.344712 18.31171       18.87816 24.23000       36.55997 16.16002       22.04437 24.51901 9.889236 20.05931 7.808079 4.459698       12.60012 
1 1 1 3   38 4  o 55.74901 4.972599 159.6647       26.85028 0.000000       0.000000 159.6647       26.85028 ?        ?        55.74901 4.972599 ?              ?        
1 1 1 3   38 5  o 25.01086 7.488954 34.34993       19.76390 20.22000       35.97762 40.45687       23.65235 23.70740 9.717301 26.92129 8.221040 -3.213888      12.72837 
1 1 1 3   38 6  o 24.36869 8.170571 31.89428       22.96439 48.74000       36.78765 21.13864       29.39513 29.31000 10.32202 22.65254 8.956528 6.657463       13.66614 
1 1 1 3   38 7  o 32.48578 7.402991 58.52090       23.01382 0.000000       0.000000 58.52090       23.01382 ?        ?        32.48578 7.402991 ?              ?        
1 1 1 3   38 8  o 67.01128 8.368722 249.6000       53.69924 0.000000       0.000000 249.6000       53.69924 ?        ?        67.01128 8.368722 ?              ?        
1 1 1 3   38 9  o 41.28590 5.758452 89.82064       22.63863 0.000000       0.000000 89.82064       22.63863 ?        ?        41.28590 5.758452 ?              ?        
1 1 1 3   38 10 o 34.97785 7.320539 67.62998       24.25774 0.000000       0.000000 67.62998       24.25774 ?        ?        34.97785 7.320539 ?              ?        
1 1 1 3   38 11 o 34.05618 6.405455 62.63118       20.56914 0.000000       0.000000 62.63118       20.56914 ?        ?        34.05618 6.405455 ?              ?        
1 1 1 3   38 12 o 26.86867 7.037078 39.98996       18.72364 0.000000       0.000000 39.98996       18.72364 ?        ?        26.86867 7.037078 ?              ?        
1 1 1 3   38 13 o 50.11179 4.161575 127.7330       20.22883 0.000000       0.000000 127.7330       20.22883 ?        ?        50.11179 4.161575 ?              ?        
1 1 1 3   38 14 f 45.75625 4.283042 106.8924       18.95973 0.000000       0.000000 106.8924       18.95973 ?        ?        45.75625 4.283042 ?              ?        
1 1 1 3   38 15 o 32.82579 7.405641 60.20974       23.22696 0.000000       0.000000 60.20974       23.22696 ?        ?        32.82579 7.405641 ?              ?        
1 1 1 3   38 16 o 36.13976 5.636384 69.22387       19.28816 0.000000       0.000000 69.22387       19.28816 ?        ?        36.13976 5.636384 ?              ?        
1 1 1 3   38 17 o 26.35236 5.614879 37.35184       14.03976 0.000000       0.000000 37.35184       14.03976 ?        ?        26.35236 5.614879 ?              ?        
1 1 1 3   38 18 o 44.07268 3.305146 97.73136       14.15440 0.000000       0.000000 97.73136       14.15440 ?        ?        44.07268 3.305146 ?              ?        
1 1 1 3   38 19 o 25.15331 9.629375 32.59319       33.12535 0.000000       0.000000 32.59319       33.12535 ?        ?        25.15331 9.629375 ?              ?        
1 1 1 3   38 20 o 23.03099 9.266949 22.85972       32.02051 0.000000       0.000000 22.85972       32.02051 ?        ?        23.03099 9.266949 ?              ?        
1 1 1 3   38 21 o 21.97574 9.586160 8.556000       38.84090 0.000000       0.000000 8.556000       38.84090 ?        ?        21.97574 9.586160 ?              ?        
1 1 1 3   38 22 f 29.84134 9.623049 54.18801       31.97369 0.000000       0.000000 54.18801       31.97369 ?        ?        29.84134 9.623049 ?              ?        
1 1 1 3   38 23 o 26.50934 11.26759 31.18000       51.04736 0.000000       0.000000 31.18000       51.04736 ?        ?        26.50934 11.26759 ?              ?        
1 1 1 3   38 24 o 18.13364 8.257096 -7.887368      32.23281 0.000000       0.000000 -7.887368      32.23281 ?        ?        18.13364 8.257096 ?              ?        
1 1 1 3   38 25 o 35.58673 9.328289 77.96737       32.88285 0.000000       0.000000 77.96737       32.88285 ?        ?        35.58673 9.328289 ?              ?        
1 1 1 3   38 26 o 22.47348 9.143244 22.11286       31.56341 0.000000       0.000000 22.11286       31.56341 ?        ?        22.47348 9.143244 ?              ?        
1 1 1 3   38 27 o 23.61650 9.270639 28.11693       31.29268 0.000000       0.000000 28.11693       31.29268 ?        ?        23.61650 9.270639 ?              ?        
1 1 1 3   38 28 o 19.38841 8.499925 4.437151       30.87388 0.000000       0.000000 4.437151       30.87388 ?        ?        19.38841 8.499925 ?              ?        
1 1 1 3   38 29 o 31.16425 9.673411 61.39659       32.58563 0.000000       0.000000 61.39659       32.58563 ?        ?        31.16425 9.673411 ?              ?        
1 1 1 3   38 30 o 30.61663 9.648321 59.25258       32.29025 0.000000       0.000000 59.25258       32.29025 ?        ?        30.61663 9.648321 ?              ?        
1 1 1 3   38 31 o 19.85128 8.596990 8.105833       30.77191 0.000000       0.000000 8.105833       30.77191 ?        ?        19.85128 8.596990 ?              ?        
1 1 1 3   38 32 o 24.30716 10.06225 27.91000       39.08451 0.000000       0.000000 27.91000       39.08451 ?        ?        24.30716 10.06225 ?              ?        
1 1 1 3   38 33 o 18.30137 8.168180 -0.3879466     29.77492 0.000000       0.000000 -0.3879466     29.77492 ?        ?        18.30137 8.168180 ?              ?        
1 1 1 3   38 34 o 30.92080 11.92813 67.22000       51.09848 0.000000       0.000000 67.22000       51.09848 ?        ?        30.92080 11.92813 ?              ?        
1 1 1 3   38 35 o 39.91092 8.572974 96.12489       32.49163 0.000000       0.000000 96.12489       32.49163 ?        ?        39.91092 8.572974 ?              ?        
1 1 1 3   38 36 o 24.94298 9.272342 36.83430       30.20761 0.000000       0.000000 36.83430       30.20761 ?        ?        24.94298 9.272342 ?              ?        
1 1 1 3   38 37 o 23.52018 9.923784 25.87000       39.11408 0.000000       0.000000 25.87000       39.11408 ?        ?        23.52018 9.923784 ?              ?        
1 1 1 3   38 38 o 24.65403 10.78669 28.56000       49.49932 0.000000       0.000000 28.56000       49.49932 ?        ?        24.65403 10.78669 ?              ?        
1 1 1 3   38 39 o 21.10389 8.720368 20.23443       29.28247 0.000000       0.000000 20.23443       29.28247 ?        ?        21.10389 8.720368 ?              ?        
1 1 1 3   39 0  o 37.59241 5.512642 74.38017       19.68214 41.76000       42.20488 83.44605       22.24972 28.06927 10.83722 39.65738 5.912238 -11.58811      12.34503 
1 1 1 3   39 1  o 79.69028 3.435611 318.2912       26.73586 330.7000       55.87527 314.6066       30.44768 78.01028 7.406204 78.92721 3.953724 -0.9169312     8.395463 
1 1 1 3   39 2  o 35.22772 5.968537 66.23763       19.84660 30.54000       40.49962 77.51940       22.76775 25.94020 10.42736 37.97640 6.348866 -12.03620      12.20811 
1 1 1 3   39 3  o 69.85973 3.740415 245.8469       25.48395 217.0000       49.30237 256.3640       29.76919 62.31231 8.288663 71.01936 4.302551 -8.707050      9.338838 
1 1 1 3   39 4  o 44.05879 5.108178 100.8497       21.62174 92.70000       40.07341 104.1966       25.68051 38.98180 10.33575 44.27654 6.086361 -5.294739      11.99465 
1 1 1 3   39 5  o 30.68772 8.020229 53.63052       24.35483 0.000000       0.000000 53.63052       24.35483 ?        ?        30.68772 8.020229 ?              ?        
1 1 1 3   39 6  o 26.84203 8.972857 40.67702       27.69817 0.000000       0.000000 40.67702       27.69817 ?        ?        26.84203 8.972857 ?              ?        
1 1 1 3   39 7  f 58.01704 4.977012 173.7035       27.99097 0.000000       0.000000 173.7035       27.99097 ?        ?        58.01704 4.977012 ?              ?        
1 1 1 3   39 8  o 86.96799 3.505857 379.6136       29.78302 0.000000       0.000000 379.6136       29.78302 ?        ?        86.96799 3.505857 ?              ?        
1 1 1 3   39 9  o 34.63049 7.265828 66.62149       23.84219 0.000000       0.000000 66.62149       23.84219 ?        ?        34.63049 7.265828 ?              ?        
1 1 1 3   39 10 o 18.45115 7.176447 13.63722       18.61056 0.000000       0.000000 13.63722       18.61056 ?        ?        18.45115 7.176447 ?              ?        
1 1 1 3   39 11 o 42.71303 4.832028 94.48375       19.84772 0.000000       0.000000 94.48375       19.84772 ?        ?        42.71303 4.832028 ?              ?        
1 1 1 3   39 12 o 40.25243 4.980272 84.36934       19.20421 0.000000       0.000000 84.36934       19.20421 ?        ?        40.25243 4.980272 ?              ?        
1 1 1 3   39 13 o 22.46399 7.040165 27.57691       17.21549 0.000000       0.000000 27.57691       17.21549 ?        ?        22.46399 7.040165 ?              ?        
1 1 1 3   39 14 o 30.46306 5.980971 50.20860       17.19725 0.000000       0.000000 50.20860       17.19725 ?        ?        30.46306 5.980971 ?              ?        
1 1 1 3   39 15 o 22.31098 8.042572 25.73669       22.45943 0.000000       0.000000 25.73669       22.45943 ?        ?        22.31098 8.042572 ?              ?        
1 1 1 3   39 16 o 26.73744 6.731626 39.84862       17.60340 0.000000       0.000000 39.84862       17.60340 ?        ?        26.73744 6.731626 ?              ?        
1 1 1 3   39 17 o 35.01653 4.407728 63.44365       14.77358 0.000000       0.000000 63.44365       14.77358 ?        ?        35.01653 4.407728 ?              ?        
1 1 1 3   39 18 o 53.25610 3.154111 142.3830       16.36829 0.000000       0.000000 142.3830       16.36829 ?        ?        53.25610 3.154111 ?              ?        
1 1 1 3   39 19 o 29.88614 10.98222 55.65000       42.16175 0.000000       0.000000 55.65000       42.16175 ?        ?        29.88614 10.98222 ?              ?        
1 1 1 3   39 20 o 49.63966 9.927940 151.6000       46.55213 0.000000       0.000000 151.6000       46.55213 ?        ?        49.63966 9.927940 ?              ?        
1 1 1 3   39 21 o 22.38477 9.139134 21.26028       31.66840 0.000000       0.000000 21.26028       31.66840 ?        ?        22.38477 9.139134 ?              ?        
1 1 1 3   39 22 o 41.37688 12.51117 122.9000       54.96342 0.000000       0.000000 122.9000       54.96342 ?        ?        41.37688 12.51117 ?              ?        
1 1 1 3   39 23 f 34.26912 9.546284 73.61739       33.20598 0.000000       0.000000 73.61739       33.20598 ?        ?        34.26912 9.546284 ?              ?        
1 1 1 3   39 24 o 41.44857 8.779344 103.0040       34.50898 0.000000       0.000000 103.0040       34.50898 ?        ?        41.44857 8.779344 ?              ?        
1 1 1 3   39 25 o 31.03604 9.949528 61.24133       34.21482 0.000000       0.000000 61.24133       34.21482 ?        ?        31.03604 9.949528 ?              ?        
1 1 1 3   39 26 o 22.59648 9.270629 22.31059       32.78506 0.000000       0.000000 22.31059       32.78506 ?        ?        22.59648 9.270629 ?              ?        
1 1 1 3   39 27 o 46.30229 8.127201 125.1177       35.49115 0.000000       0.000000 125.1177       35.49115 ?        ?        46.30229 8.127201 ?              ?        
1 1 1 3   39 28 f 31.41843 9.760179 63.13596       33.16534 0.000000       0.000000 63.13596       33.16534 ?        ?        31.41843 9.760179 ?              ?        
1 1 1 3   39 29 o 19.92091 8.598037 9.046026       30.57332 0.000000       0.000000 9.046026       30.57332 ?        ?        19.92091 8.598037 ?              ?        
1 1 1 3   39 30 o 23.47676 9.240154 28.49953       31.15848 0.000000       0.000000 28.49953       31.15848 ?        ?        23.47676 9.240154 ?              ?        
1 1 1 3   39 31 o 31.56162 10.91781 67.82000       41.05196 0.000000       0.000000 67.82000       41.05196 ?        ?        31.56162 10.91781 ?              ?        
1 1 1 3   39 32 o 44.13998 12.13458 140.7000       54.04797 0.000000       0.000000 140.7000       54.04797 ?        ?        44.13998 12.13458 ?              ?        
1 1 1 3   39 33 o 23.68739 9.230573 30.32238       30.83542 0.000000       0.000000 30.32238       30.83542 ?        ?        23.68739 9.230573 ?              ?        
1 1 1 3   39 34 o 39.14321 8.642438 93.80525       32.22647 0.000000       0.000000 93.80525       32.22647 ?        ?        39.14321 8.642438 ?              ?        
1 1 1 3   39 35 o 19.79453 8.458411 11.99912       29.03735 0.000000       0.000000 11.99912       29.03735 ?        ?        19.79453 8.458411 ?              ?        
1 1 1 3   39 36 f 17.86350 7.963101 1.436134       28.20931 0.000000       0.000000 1.436134       28.20931 ?        ?        17.86350 7.963101 ?              ?        
1 1 1 3   39 37 o 17.85658 7.953468 1.943070       28.08133 0.000000       0.000000 1.943070       28.08133 ?        ?        17.85658 7.953468 ?              ?        
1 1 1 3   40 0  o 39.79260 5.331901 83.20053       20.24564 117.4000       45.05930 74.54994       22.66196 43.43345 10.67562 37.04630 6.485687 6.387157       12.49132 
1 1 1 3   40 1  o 44.30203 4.875819 101.7774       20.79436 135.8000       46.38949 93.22202       23.26237 47.15815 10.33569 41.88509 5.831935 5.273060       11.86752 
1 1 1 3   40 2  o 48.54142 4.616900 121.3268       21.67277 148.2000       46.17057 113.7320       24.54497 49.80577 9.819814 46.51378 5.497164 3.291988       11.25378 
1 1 1 3   40 3  o 36.92443 6.778835 74.75640       23.59791 91.86000       40.77465 66.14263       28.93631 38.35139 10.53837 33.58249 8.724981 4.768902       13.68147 
1 1 1 3   40 4  o 16.40683 7.239534 -1.736261      22.73340 0.000000       0.000000 -1.736261      22.73340 ?        ?        16.40683 7.239534 ?              ?        
1 1 1 3   40 5  f 21.15300 8.478706 17.80065       26.69638 0.000000       0.000000 17.80065       26.69638 ?        ?        21.15300 8.478706 ?              ?        
1 1 1 3   40 6  o 21.04673 7.959892 20.87502       22.46412 0.000000       0.000000 20.87502       22.46412 ?        ?        21.04673 7.959892 ?              ?        
1 1 1 3   40 7  o 34.14218 7.462800 65.74628       24.24243 0.000000       0.000000 65.74628       24.24243 ?        ?        34.14218 7.462800 ?              ?        
1 1 1 3   40 8  o 46.16600 7.307013 118.1175       31.92140 0.000000       0.000000 118.1175       31.92140 ?        ?        46.16600 7.307013 ?              ?        
1 1 1 3   40 9  o 17.02720 6.976143 8.367438       18.53243 0.000000       0.000000 8.367438       18.53243 ?        ?        17.02720 6.976143 ?              ?        
1 1 1 3   40 10 o 14.20348 6.294518 -2.864732      17.36654 0.000000       0.000000 -2.864732      17.36654 ?        ?        14.20348 6.294518 ?              ?        
1 1 1 3   40 11 o 22.98578 7.200927 29.26018       18.01246 0.000000       0.000000 29.26018       18.01246 ?        ?        22.98578 7.200927 ?              ?        
1 1 1 3   40 12 o 56.51304 3.962473 162.5659       21.78012 0.000000       0.000000 162.5659       21.78012 ?        ?        56.51304 3.962473 ?              ?        
1 1 1 3   40 13 o 16.62483 6.676818 9.280372       16.58931 0.000000       0.000000 9.280372       16.58931 ?        ?        16.62483 6.676818 ?              ?        
1 1 1 3   40 14 o 17.19447 6.653340 12.08124       15.93364 0.000000       0.000000 12.08124       15.93364 ?        ?        17.19447 6.653340 ?              ?        
1 1 1 3   40 15 o 14.38639 6.632943 -11.74439      21.68798 0.000000       0.000000 -11.74439      21.68798 ?        ?        14.38639 6.632943 ?              ?        
1 1 1 3   40 16 o 33.92124 6.058261 62.68787       19.37710 0.000000       0.000000 62.68787       19.37710 ?        ?        33.92124 6.058261 ?              ?        
1 1 1 3   40 17 o 17.66004 6.133142 15.76654       12.96044 0.000000       0.000000 15.76654       12.96044 ?        ?        17.66004 6.133142 ?              ?        
1 1 1 3   40 18 o 30.01820 11.08414 58.26000       43.03477 0.000000       0.000000 58.26000       43.03477 ?        ?        30.01820 11.08414 ?              ?        
1 1 1 3   40 19 o 24.05377 9.354919 30.34327       31.62263 0.000000       0.000000 30.34327       31.62263 ?        ?        24.05377 9.354919 ?              ?        
1 1 1 3   40 20 o 20.35329 9.531637 -18.54000      47.57575 0.000000       0.000000 -18.54000      47.57575 ?        ?        20.35329 9.531637 ?              ?        
1 1 1 3   40 21 o 38.03403 12.52274 106.6000       54.00210 0.000000       0.000000 106.6000       54.00210 ?        ?        38.03403 12.52274 ?              ?        
1 1 1 3   40 22 o 44.52364 8.389995 116.7751       35.22353 0.000000       0.000000 116.7751       35.22353 ?        ?        44.52364 8.389995 ?              ?        
1 1 1 3   40 23 f 52.28654 7.297894 154.4217       36.33408 0.000000       0.000000 154.4217       36.33408 ?        ?        52.28654 7.297894 ?              ?        
1 1 1 3   40 24 o 18.91986 8.430305 0.7579371      31.58075 0.000000       0.000000 0.7579371      31.58075 ?        ?        18.91986 8.430305 ?              ?        
1 1 1 3   40 25 o 24.86879 9.512558 34.85098       32.30877 0.000000       0.000000 34.85098       32.30877 ?        ?        24.86879 9.512558 ?              ?        
1 1 1 3   40 26 o 24.78221 9.490137 34.61404       32.18071 0.000000       0.000000 34.61404       32.18071 ?        ?        24.78221 9.490137 ?              ?        
1 1 1 3   40 27 o 26.74076 9.609780 43.74416       32.03659 0.000000       0.000000 43.74416       32.03659 ?        ?        26.74076 9.609780 ?              ?        
1 1 1 3   40 28 o 42.80579 8.540854 109.8226       34.53080 0.000000       0.000000 109.8226       34.53080 ?        ?        42.80579 8.540854 ?              ?        
1 1 1 3   40 29 o 21.50465 9.479896 10.07000       38.89295 0.000000       0.000000 10.07000       38.89295 ?        ?        21.50465 9.479896 ?              ?        
1 1 1 3   40 30 o 19.37483 8.420553 7.610992       29.73759 0.000000       0.000000 7.610992       29.73759 ?        ?        19.37483 8.420553 ?              ?        
1 1 1 3   40 31 o 28.30146 11.56363 51.64000       50.74724 0.000000       0.000000 51.64000       50.74724 ?        ?        28.30146 11.56363 ?              ?        
1 1 1 3   40 32 o 34.39494 9.253436 75.61207       31.83107 0.000000       0.000000 75.61207       31.83107 ?        ?        34.39494 9.253436 ?              ?        
1 1 1 3   40 33 o 25.50964 9.332799 40.28849       30.39570 0.000000       0.000000 40.28849       30.39570 ?        ?        25.50964 9.332799 ?              ?        
1 1 1 3   40 34 o 41.04190 8.350914 103.1375       32.40528 0.000000       0.000000 103.1375       32.40528 ?        ?        41.04190 8.350914 ?              ?        
1 1 1 3   40 35 o 19.56603 8.360941 12.65982       28.37302 0.000000       0.000000 12.65982       28.37302 ?        ?        19.56603 8.360941 ?              ?        
1 1 1 3   41 0  o 31.61189 6.619426 55.38335       19.82453 75.54000       41.95891 49.59061       22.49351 34.04721 11.02749 29.33300 7.727762 4.714214       13.46565 
1 1 1 3   41 1  f 29.30054 7.731619 49.48997       22.49273 47.61000       39.27214 50.40771       27.43896 28.32614 10.56415 29.09274 8.848846 -0.7666016     13.78054 
1 1 1 3   41 2  o 37.00731 6.830229 75.86753       23.83041 0.000000       0.000000 75.86753       23.83041 ?        ?        37.00731 6.830229 ?              ?        
1 1 1 3   41 3  o 66.64910 4.327464 227.6192       28.07887 0.000000       0.000000 227.6192       28.07887 ?        ?        66.64910 4.327464 ?              ?        
1 1 1 3   41 4  o 28.09250 7.864678 45.65047       22.47768 0.000000       0.000000 45.65047       22.47768 ?        ?        28.09250 7.864678 ?              ?        
1 1 1 3   41 5  o 34.81615 6.167338 65.94131       20.24847 0.000000       0.000000 65.94131       20.24847 ?        ?        34.81615 6.167338 ?              ?        
1 1 1 3   41 6  o 39.96450 8.162026 92.27533       30.84790 0.000000       0.000000 92.27533       30.84790 ?        ?        39.96450 8.162026 ?              ?        
1 1 1 3   41 7  o 29.33317 6.923405 48.36629       19.55668 0.000000       0.000000 48.36629       19.55668 ?        ?        29.33317 6.923405 ?              ?        
1 1 1 3   41 8  o 20.03302 7.798296 17.69263       21.99017 0.000000       0.000000 17.69263       21.99017 ?        ?        20.03302 7.798296 ?              ?        
1 1 1 3   41 9  o 30.48983 7.427551 53.25433       21.95930 0.000000       0.000000 53.25433       21.95930 ?        ?        30.48983 7.427551 ?              ?        
1 1 1 3   41 10 o 62.74481 3.767560 199.9810       23.03240 0.000000       0.000000 199.9810       23.03240 ?        ?        62.74481 3.767560 ?              ?        
1 1 1 3   41 11 f 14.27147 6.288144 -1.526726      17.09223 0.000000       0.000000 -1.526726      17.09223 ?        ?        14.27147 6.288144 ?              ?        
1 1 1 3   41 12 o 47.52512 4.331370 116.5931       19.92787 0.000000       0.000000 116.5931       19.92787 ?        ?        47.52512 4.331370 ?              ?        
1 1 1 3   41 13 o 26.41007 6.691943 39.41655       17.31743 0.000000       0.000000 39.41655       17.31743 ?        ?        26.41007 6.691943 ?              ?        
1 1 1 3   41 14 o 25.65550 6.551491 37.05815       16.50802 0.000000       0.000000 37.05815       16.50802 ?        ?        25.65550 6.551491 ?              ?        
1 1 1 3   41 15 o 40.75317 6.334881 91.21632       24.44955 0.000000       0.000000 91.21632       24.44955 ?        ?        40.75317 6.334881 ?              ?        
1 1 1 3   41 16 o 40.31414 5.661745 87.53063       21.72672 0.000000       0.000000 87.53063       21.72672 ?        ?        40.31414 5.661745 ?              ?        
1 1 1 3   41 17 o 39.92001 4.334331 82.71850       16.66482 0.000000       0.000000 82.71850       16.66482 ?        ?        39.92001 4.334331 ?              ?        
1 1 1 3   41 18 o 17.00885 7.859797 -12.78741      30.70237 0.000000       0.000000 -12.78741      30.70237 ?        ?        17.00885 7.859797 ?              ?        
1 1 1 3   41 19 o 30.10619 11.74914 60.38000       50.01708 0.000000       0.000000 60.38000       50.01708 ?        ?        30.10619 11.74914 ?              ?        
1 1 1 3   41 20 o 22.20658 9.101905 21.60015       31.56396 0.000000       0.000000 21.60015       31.56396 ?        ?        22.20658 9.101905 ?              ?        
1 1 1 3   41 21 o 24.38622 9.430789 32.79564       31.99987 0.000000       0.000000 32.79564       31.99987 ?        ?        24.38622 9.430789 ?              ?        
1 1 1 3   41 22 o 22.40532 9.131901 22.88810       31.55280 0.000000       0.000000 22.88810       31.55280 ?        ?        22.40532 9.131901 ?              ?        
1 1 1 3   41 23 o 17.08438 7.880947 -11.41764      30.67378 0.000000       0.000000 -11.41764      30.67378 ?        ?        17.08438 7.880947 ?              ?        
1 1 1 3   41 24 o 32.04922 9.699876 66.15325       33.02682 0.000000       0.000000 66.15325       33.02682 ?        ?        32.04922 9.699876 ?              ?        
1 1 1 3   41 25 f 19.58016 8.572743 6.377484       31.31359 0.000000       0.000000 6.377484       31.31359 ?        ?        19.58016 8.572743 ?              ?        
1 1 1 3   41 26 o 21.55545 9.032046 18.12482       32.04980 0.000000       0.000000 18.12482       32.04980 ?        ?        21.55545 9.032046 ?              ?        
1 1 1 3   41 27 o 23.74929 9.383076 30.42130       32.23937 0.000000       0.000000 30.42130       32.23937 ?        ?        23.74929 9.383076 ?              ?        
1 1 1 3   41 28 o 39.71598 10.94868 108.6000       43.93124 0.000000       0.000000 108.6000       43.93124 ?        ?        39.71598 10.94868 ?              ?        
1 1 1 3   41 29 o 14.74114 7.071285 -29.67730      29.41792 0.000000       0.000000 -29.67730      29.41792 ?        ?        14.74114 7.071285 ?              ?        
1 1 1 3   41 30 o 29.91123 9.764387 59.21785       32.86240 0.000000       0.000000 59.21785       32.86240 ?        ?        29.91123 9.764387 ?              ?        
1 1 1 3   41 31 o 18.84863 8.265726 6.401918       29.21534 0.000000       0.000000 6.401918       29.21534 ?        ?        18.84863 8.265726 ?              ?        
1 1 1 3   41 32 o 44.81007 7.906986 120.4122       33.41376 0.000000       0.000000 120.4122       33.41376 ?        ?        44.81007 7.906986 ?              ?        
1 1 1 3   41 33 o 17.31638 7.829555 -1.863999      28.36403 0.000000       0.000000 -1.863999      28.36403 ?        ?        17.31638 7.829555 ?              ?        
1 1 1 3   42 0  o 15.94933 7.007340 -0.7523495E-01 21.08570 0.000000       0.000000 -0.7523495E-01 21.08570 ?        ?        15.94933 7.007340 ?              ?        
1 1 1 3   42 1  o 35.83082 8.035841 75.23846       27.48698 0.000000       0.000000 75.23846       27.48698 ?        ?        35.83082 8.035841 ?              ?        
1 1 1 3   42 2  o 22.62156 8.716048 25.91439       27.26003 0.000000       0.000000 25.91439       27.26003 ?        ?        22.62156 8.716048 ?              ?        
1 1 1 3   42 3  o 78.69123 4.114315 317.0711       31.58049 0.000000       0.000000 317.0711       31.58049 ?        ?        78.69123 4.114315 ?              ?        
1 1 1 3   42 4  o 32.29195 6.648796 58.42146       20.31521 0.000000       0.000000 58.42146       20.31521 ?        ?        32.29195 6.648796 ?              ?        
1 1 1 3   42 5  f 21.48487 8.148048 23.25504       23.57710 0.000000       0.000000 23.25504       23.57710 ?        ?        21.48487 8.148048 ?              ?        
1 1 1 3   42 6  o 25.31791 7.521953 37.13321       19.99891 0.000000       0.000000 37.13321       19.99891 ?        ?        25.31791 7.521953 ?              ?        
1 1 1 3   42 7  o 27.49239 8.127358 44.87267       23.39474 0.000000       0.000000 44.87267       23.39474 ?        ?        27.49239 8.127358 ?              ?        
1 1 1 3   42 8  o 48.67281 4.580671 123.2536       21.56679 0.000000       0.000000 123.2536       21.56679 ?        ?        48.67281 4.580671 ?              ?        
1 1 1 3   42 9  o 14.25913 6.564023 -10.50799      21.12265 0.000000       0.000000 -10.50799      21.12265 ?        ?        14.25913 6.564023 ?              ?        
1 1 1 3   42 10 o 15.84577 6.715223 4.762480       18.04046 0.000000       0.000000 4.762480       18.04046 ?        ?        15.84577 6.715223 ?              ?        
1 1 1 3   42 11 o 41.64279 4.907251 91.39942       19.61887 0.000000       0.000000 91.39942       19.61887 ?        ?        41.64279 4.907251 ?              ?        
1 1 1 3   42 12 o 36.03576 5.437666 69.81400       18.58376 0.000000       0.000000 69.81400       18.58376 ?        ?        36.03576 5.437666 ?              ?        
1 1 1 3   42 13 o 17.92299 6.821696 14.63912       16.56242 0.000000       0.000000 14.63912       16.56242 ?        ?        17.92299 6.821696 ?              ?        
1 1 1 3   42 14 o 18.36607 6.821613 16.25020       16.34323 0.000000       0.000000 16.25020       16.34323 ?        ?        18.36607 6.821613 ?              ?        
1 1 1 3   42 15 f 21.88146 8.400245 24.27482       25.25613 0.000000       0.000000 24.27482       25.25613 ?        ?        21.88146 8.400245 ?              ?        
1 1 1 3   42 16 o 37.45533 5.434919 75.40874       19.34437 0.000000       0.000000 75.40874       19.34437 ?        ?        37.45533 5.434919 ?              ?        
1 1 1 3   42 17 o 31.24286 5.403835 52.79664       15.92784 0.000000       0.000000 52.79664       15.92784 ?        ?        31.24286 5.403835 ?              ?        
1 1 1 3   42 18 o 20.55548 9.573307 -12.77000      46.92360 0.000000       0.000000 -12.77000      46.92360 ?        ?        20.55548 9.573307 ?              ?        
1 1 1 3   42 19 o 19.53877 8.509560 7.351235       30.50289 0.000000       0.000000 7.351235       30.50289 ?        ?        19.53877 8.509560 ?              ?        
1 1 1 3   42 20 o 25.68076 9.382023 39.60199       30.70075 0.000000       0.000000 39.60199       30.70075 ?        ?        25.68076 9.382023 ?              ?        
1 1 1 3   42 21 o 30.20581 9.628230 58.69538       32.07578 0.000000       0.000000 58.69538       32.07578 ?        ?        30.20581 9.628230 ?              ?        
1 1 1 3   42 22 o 39.98941 8.659392 97.24163       32.91185 0.000000       0.000000 97.24163       32.91185 ?        ?        39.98941 8.659392 ?              ?        
1 1 1 3   42 23 f 20.17226 8.647075 11.62951       30.52243 0.000000       0.000000 11.62951       30.52243 ?        ?        20.17226 8.647075 ?              ?        
1 1 1 3   42 24 o 37.23380 9.133723 87.20438       33.03225 0.000000       0.000000 87.20438       33.03225 ?        ?        37.23380 9.133723 ?              ?        
1 1 1 3   42 25 o 25.07225 9.432181 37.49178       31.44845 0.000000       0.000000 37.49178       31.44845 ?        ?        25.07225 9.432181 ?              ?        
1 1 1 3   42 26 o 18.26023 8.521916 -14.95000      37.49139 0.000000       0.000000 -14.95000      37.49139 ?        ?        18.26023 8.521916 ?              ?        
1 1 1 3   42 27 o 20.63913 8.718668 15.82751       30.25015 0.000000       0.000000 15.82751       30.25015 ?        ?        20.63913 8.718668 ?              ?        
1 1 1 3   42 28 o 24.98940 10.77403 32.02000       47.90577 0.000000       0.000000 32.02000       47.90577 ?        ?        24.98940 10.77403 ?              ?        
1 1 1 3   42 29 o 45.63386 7.972986 124.9673       34.31795 0.000000       0.000000 124.9673       34.31795 ?        ?        45.63386 7.972986 ?              ?        
1 1 1 3   42 30 o 25.44236 9.320219 41.48799       30.32882 0.000000       0.000000 41.48799       30.32882 ?        ?        25.44236 9.320219 ?              ?        
1 1 1 3   42 31 o 36.65839 8.943238 86.62009       31.80074 0.000000       0.000000 86.62009       31.80074 ?        ?        36.65839 8.943238 ?              ?        
1 1 1 3   43 0  o 17.25288 7.009221 10.41888       18.51785 0.000000       0.000000 10.41888       18.51785 ?        ?        17.25288 7.009221 ?              ?        
1 1 1 3   43 1  o 36.76307 6.708418 75.93401       23.25084 0.000000       0.000000 75.93401       23.25084 ?        ?        36.76307 6.708418 ?              ?        
1 1 1 3   43 2  o 40.58929 5.558832 88.73070       21.50558 0.000000       0.000000 88.73070       21.50558 ?        ?        40.58929 5.558832 ?              ?        
1 1 1 3   43 3  o 32.44973 6.749883 59.58855       20.74016 0.000000       0.000000 59.58855       20.74016 ?        ?        32.44973 6.749883 ?              ?        
1 1 1 3   43 4  o 19.00621 8.143530 8.560836       27.04840 0.000000       0.000000 8.560836       27.04840 ?        ?        19.00621 8.143530 ?              ?        
1 1 1 3   43 5  o 31.12198 6.878333 55.19009       20.39512 0.000000       0.000000 55.19009       20.39512 ?        ?        31.12198 6.878333 ?              ?        
1 1 1 3   43 6  o 43.97943 5.119957 102.5839       21.62889 0.000000       0.000000 102.5839       21.62889 ?        ?        43.97943 5.119957 ?              ?        
1 1 1 3   43 7  o 23.35794 7.486549 31.29636       19.37265 0.000000       0.000000 31.29636       19.37265 ?        ?        23.35794 7.486549 ?              ?        
1 1 1 3   43 8  f 12.04293 5.854353 -31.98409      21.88056 0.000000       0.000000 -31.98409      21.88056 ?        ?        12.04293 5.854353 ?              ?        
1 1 1 3   43 9  o 19.73806 7.309416 19.61419       18.73857 0.000000       0.000000 19.61419       18.73857 ?        ?        19.73806 7.309416 ?              ?        
1 1 1 3   43 10 o 15.91154 6.911071 2.142565       20.00583 0.000000       0.000000 2.142565       20.00583 ?        ?        15.91154 6.911071 ?              ?        
1 1 1 3   43 11 o 28.13986 6.651515 45.04761       18.02962 0.000000       0.000000 45.04761       18.02962 ?        ?        28.13986 6.651515 ?              ?        
1 1 1 3   43 12 o 15.84179 6.565172 6.934990       16.66374 0.000000       0.000000 6.934990       16.66374 ?        ?        15.84179 6.565172 ?              ?        
1 1 1 3   43 13 o 14.52839 6.380339 -0.3539584     17.46422 0.000000       0.000000 -0.3539584     17.46422 ?        ?        14.52839 6.380339 ?              ?        
1 1 1 3   43 14 o 14.05714 6.214718 -1.525565      16.83022 0.000000       0.000000 -1.525565      16.83022 ?        ?        14.05714 6.214718 ?              ?        
1 1 1 3   43 15 o 11.01092 5.197694 -13.76427      14.65045 0.000000       0.000000 -13.76427      14.65045 ?        ?        11.01092 5.197694 ?              ?        
1 1 1 3   43 16 o 23.04922 7.203835 30.56159       18.03792 0.000000       0.000000 30.56159       18.03792 ?        ?        23.04922 7.203835 ?              ?        
1 1 1 3   43 17 o 23.20435 6.074137 30.21502       13.95488 0.000000       0.000000 30.21502       13.95488 ?        ?        23.20435 6.074137 ?              ?        
1 1 1 3   43 18 o 33.90839 9.228774 72.90359       31.44349 0.000000       0.000000 72.90359       31.44349 ?        ?        33.90839 9.228774 ?              ?        
1 1 1 3   43 19 o 34.26078 9.003487 73.58584       30.58241 0.000000       0.000000 73.58584       30.58241 ?        ?        34.26078 9.003487 ?              ?        
1 1 1 3   43 20 o 26.03558 9.437737 41.79167       30.98174 0.000000       0.000000 41.79167       30.98174 ?        ?        26.03558 9.437737 ?              ?        
1 1 1 3   43 21 o 24.42276 9.258060 34.88256       30.43027 0.000000       0.000000 34.88256       30.43027 ?        ?        24.42276 9.258060 ?              ?        
1 1 1 3   43 22 o 22.32765 8.981153 24.93169       30.06589 0.000000       0.000000 24.93169       30.06589 ?        ?        22.32765 8.981153 ?              ?        
1 1 1 3   43 23 o 26.76023 9.382042 45.20695       30.36902 0.000000       0.000000 45.20695       30.36902 ?        ?        26.76023 9.382042 ?              ?        
1 1 1 3   43 24 o 35.99377 9.388694 83.83908       33.41784 0.000000       0.000000 83.83908       33.41784 ?        ?        35.99377 9.388694 ?              ?        
1 1 1 3   43 25 o 30.40974 10.79632 65.78000       40.31229 0.000000       0.000000 65.78000       40.31229 ?        ?        30.40974 10.79632 ?              ?        
1 1 1 3   43 26 o 58.65723 6.532092 193.7440       36.86868 0.000000       0.000000 193.7440       36.86868 ?        ?        58.65723 6.532092 ?              ?        
1 1 1 3   43 27 o 22.30191 10.10448 11.95000       47.53141 0.000000       0.000000 11.95000       47.53141 ?        ?        22.30191 10.10448 ?              ?        
1 1 1 3   43 28 o 51.44206 6.907728 153.0797       33.90413 0.000000       0.000000 153.0797       33.90413 ?        ?        51.44206 6.907728 ?              ?        
1 1 1 3   43 29 o 18.83417 8.218147 9.113035       28.56401 0.000000       0.000000 9.113035       28.56401 ?        ?        18.83417 8.218147 ?              ?        
1 1 1 3   44 0  o 48.64480 6.401341 131.0423       29.74092 0.000000       0.000000 131.0423       29.74092 ?        ?        48.64480 6.401341 ?              ?        
1 1 1 3   44 1  o 28.35770 7.183265 46.84429       19.95794 0.000000       0.000000 46.84429       19.95794 ?        ?        28.35770 7.183265 ?              ?        
1 1 1 3   44 2  o 17.51075 7.546620 5.565987       23.48543 0.000000       0.000000 5.565987       23.48543 ?        ?        17.51075 7.546620 ?              ?        
1 1 1 3   44 3  o 23.59154 8.348917 32.18700       24.09063 0.000000       0.000000 32.18700       24.09063 ?        ?        23.59154 8.348917 ?              ?        
1 1 1 3   44 4  o 22.13985 7.491061 27.75865       19.30231 0.000000       0.000000 27.75865       19.30231 ?        ?        22.13985 7.491061 ?              ?        
1 1 1 3   44 5  o 18.63579 7.277673 15.53329       19.20127 0.000000       0.000000 15.53329       19.20127 ?        ?        18.63579 7.277673 ?              ?        
1 1 1 3   44 6  o 36.27250 5.821512 71.96278       19.96997 0.000000       0.000000 71.96278       19.96997 ?        ?        36.27250 5.821512 ?              ?        
1 1 1 3   44 7  o 19.40912 8.059414 13.47631       25.18176 0.000000       0.000000 13.47631       25.18176 ?        ?        19.40912 8.059414 ?              ?        
1 1 1 3   44 8  o 49.22572 5.534443 130.4363       26.20542 0.000000       0.000000 130.4363       26.20542 ?        ?        49.22572 5.534443 ?              ?        
1 1 1 3   44 9  o 34.50581 6.022925 65.79777       19.60293 0.000000       0.000000 65.79777       19.60293 ?        ?        34.50581 6.022925 ?              ?        
1 1 1 3   44 10 o 26.90468 7.699472 43.12273       21.30396 0.000000       0.000000 43.12273       21.30396 ?        ?        26.90468 7.699472 ?              ?        
1 1 1 3   44 11 o 38.80026 5.225817 80.68968       19.34286 0.000000       0.000000 80.68968       19.34286 ?        ?        38.80026 5.225817 ?              ?        
1 1 1 3   44 12 o 34.21361 6.353671 65.51498       20.49482 0.000000       0.000000 65.51498       20.49482 ?        ?        34.21361 6.353671 ?              ?        
1 1 1 3   44 13 o 13.04025 5.929959 -6.301613      16.55538 0.000000       0.000000 -6.301613      16.55538 ?        ?        13.04025 5.929959 ?              ?        
1 1 1 3   44 14 o 28.52776 6.990929 47.16022       19.36626 0.000000       0.000000 47.16022       19.36626 ?        ?        28.52776 6.990929 ?              ?        
1 1 1 3   44 15 o 22.38175 7.070356 28.71128       17.33029 0.000000       0.000000 28.71128       17.33029 ?        ?        22.38175 7.070356 ?              ?        
1 1 1 3   44 16 o 14.84499 6.241613 4.814746       15.38687 0.000000       0.000000 4.814746       15.38687 ?        ?        14.84499 6.241613 ?              ?        
1 1 1 3   44 17 o 20.02685 8.522298 13.12809       29.26238 0.000000       0.000000 13.12809       29.26238 ?        ?        20.02685 8.522298 ?              ?        
1 1 1 3   44 18 o 23.65033 9.058380 31.94802       29.32282 0.000000       0.000000 31.94802       29.32282 ?        ?        23.65033 9.058380 ?              ?        
1 1 1 3   44 19 o 21.13712 8.636333 20.21937       28.30616 0.000000       0.000000 20.21937       28.30616 ?        ?        21.13712 8.636333 ?              ?        
1 1 1 3   44 20 o 17.37566 7.788222 -0.9339764     27.38022 0.000000       0.000000 -0.9339764     27.38022 ?        ?        17.37566 7.788222 ?              ?        
1 1 1 3   44 21 o 19.85171 8.383002 14.17420       27.94925 0.000000       0.000000 14.17420       27.94925 ?        ?        19.85171 8.383002 ?              ?        
1 1 1 3   44 22 o 28.16024 9.208723 51.68053       29.22259 0.000000       0.000000 51.68053       29.22259 ?        ?        28.16024 9.208723 ?              ?        
1 1 1 3   44 23 o 21.52240 9.230862 18.51000       34.81802 0.000000       0.000000 18.51000       34.81802 ?        ?        21.52240 9.230862 ?              ?        
1 1 1 3   44 24 o 30.61405 9.131101 61.93002       29.42550 0.000000       0.000000 61.93002       29.42550 ?        ?        30.61405 9.131101 ?              ?        
1 1 1 3   44 25 f 23.38689 10.38144 24.13000       47.43321 0.000000       0.000000 24.13000       47.43321 ?        ?        23.38689 10.38144 ?              ?        
1 1 1 3   44 26 o 19.16334 8.282559 11.20994       28.44867 0.000000       0.000000 11.20994       28.44867 ?        ?        19.16334 8.282559 ?              ?        
1 1 1 3   45 0  o 16.88687 7.017064 8.607153       19.10855 0.000000       0.000000 8.607153       19.10855 ?        ?        16.88687 7.017064 ?              ?        
1 1 1 3   45 1  o 29.67414 9.399685 56.83025       30.61141 0.000000       0.000000 56.83025       30.61141 ?        ?        29.67414 9.399685 ?              ?        
1 1 1 3   45 2  o 17.92857 7.231734 12.61753       19.55265 0.000000       0.000000 12.61753       19.55265 ?        ?        17.92857 7.231734 ?              ?        
1 1 1 3   45 3  o 18.84768 7.309159 16.53971       19.26153 0.000000       0.000000 16.53971       19.26153 ?        ?        18.84768 7.309159 ?              ?        
1 1 1 3   45 4  o 28.63398 7.011142 47.65357       19.49059 0.000000       0.000000 47.65357       19.49059 ?        ?        28.63398 7.011142 ?              ?        
1 1 1 3   45 5  o 23.43827 7.407157 32.06131       19.01892 0.000000       0.000000 32.06131       19.01892 ?        ?        23.43827 7.407157 ?              ?        
1 1 1 3   45 6  o 26.48305 7.277822 41.28375       19.44568 0.000000       0.000000 41.28375       19.44568 ?        ?        26.48305 7.277822 ?              ?        
1 1 1 3   45 7  o 17.93197 7.146835 13.30501       18.85896 0.000000       0.000000 13.30501       18.85896 ?        ?        17.93197 7.146835 ?              ?        
1 1 1 3   45 8  o 19.34830 7.328012 18.57340       19.05511 0.000000       0.000000 18.57340       19.05511 ?        ?        19.34830 7.328012 ?              ?        
1 1 1 3   45 9  o 18.44619 7.718360 11.05082       23.35485 0.000000       0.000000 11.05082       23.35485 ?        ?        18.44619 7.718360 ?              ?        
1 1 1 3   45 10 f 17.95466 7.304080 12.27407       20.14026 0.000000       0.000000 12.27407       20.14026 ?        ?        17.95466 7.304080 ?              ?        
1 1 1 3   45 11 o 29.39629 9.631942 56.88000       31.96327 0.000000       0.000000 56.88000       31.96327 ?        ?        29.39629 9.631942 ?              ?        
1 1 1 3   45 12 o 16.66118 6.801069 9.699109       17.53361 0.000000       0.000000 9.699109       17.53361 ?        ?        16.66118 6.801069 ?              ?        
1 1 1 3   45 13 o 41.01855 5.675501 91.90932       22.17731 0.000000       0.000000 91.90932       22.17731 ?        ?        41.01855 5.675501 ?              ?        
1 1 1 3   45 14 o 20.85869 7.019609 24.50685       16.94915 0.000000       0.000000 24.50685       16.94915 ?        ?        20.85869 7.019609 ?              ?        
1 1 1 3   45 15 o 20.41178 6.811150 23.30615       15.96103 0.000000       0.000000 23.30615       15.96103 ?        ?        20.41178 6.811150 ?              ?        
1 1 1 3   45 16 o 20.92422 6.938473 24.79443       16.56900 0.000000       0.000000 24.79443       16.56900 ?        ?        20.92422 6.938473 ?              ?        
1 1 1 3   45 17 o 17.05945 7.728389 -3.276309      27.79627 0.000000       0.000000 -3.276309      27.79627 ?        ?        17.05945 7.728389 ?              ?        
1 1 1 3   45 18 o 32.65366 9.186459 69.70716       30.58913 0.000000       0.000000 69.70716       30.58913 ?        ?        32.65366 9.186459 ?              ?        
1 1 1 3   45 19 o 29.83881 9.359769 59.31462       30.42192 0.000000       0.000000 59.31462       30.42192 ?        ?        29.83881 9.359769 ?              ?        
1 1 1 3   45 20 o 19.48994 8.317991 13.12277       28.01928 0.000000       0.000000 13.12277       28.01928 ?        ?        19.48994 8.317991 ?              ?        
1 1 1 3   45 21 o 19.72522 8.839829 6.426000       35.25688 0.000000       0.000000 6.426000       35.25688 ?        ?        19.72522 8.839829 ?              ?        
1 1 1 3   45 22 o 21.27108 8.674633 23.40396       28.49189 0.000000       0.000000 23.40396       28.49189 ?        ?        21.27108 8.674633 ?              ?        
1 1 1 3   45 23 o 28.68218 11.49401 64.67000       49.04952 0.000000       0.000000 64.67000       49.04952 ?        ?        28.68218 11.49401 ?              ?        
1 1 1 3   46 0  o 15.32964 7.270208 -22.07069      29.30220 0.000000       0.000000 -22.07069      29.30220 ?        ?        15.32964 7.270208 ?              ?        
1 1 1 3   46 1  o 14.49403 6.498912 -3.084565      19.08374 0.000000       0.000000 -3.084565      19.08374 ?        ?        14.49403 6.498912 ?              ?        
1 1 1 3   46 2  o 21.97725 7.956038 27.42109       22.00777 0.000000       0.000000 27.42109       22.00777 ?        ?        21.97725 7.956038 ?              ?        
1 1 1 3   46 3  o 18.59406 7.266182 16.02286       19.15102 0.000000       0.000000 16.02286       19.15102 ?        ?        18.59406 7.266182 ?              ?        
1 1 1 3   46 4  o 24.42957 7.463196 35.53177       19.49003 0.000000       0.000000 35.53177       19.49003 ?        ?        24.42957 7.463196 ?              ?        
1 1 1 3   46 5  o 21.70796 7.479093 26.98667       19.25732 0.000000       0.000000 26.98667       19.25732 ?        ?        21.70796 7.479093 ?              ?        
1 1 1 3   46 6  o 18.34645 7.169369 15.46749       18.64399 0.000000       0.000000 15.46749       18.64399 ?        ?        18.34645 7.169369 ?              ?        
1 1 1 3   46 7  o 29.27062 6.883327 49.87801       19.38799 0.000000       0.000000 49.87801       19.38799 ?        ?        29.27062 6.883327 ?              ?        
1 1 1 3   46 8  o 18.47978 7.102449 16.34918       18.06928 0.000000       0.000000 16.34918       18.06928 ?        ?        18.47978 7.102449 ?              ?        
1 1 1 3   46 9  o 15.82050 7.248767 -7.678050      25.34901 0.000000       0.000000 -7.678050      25.34901 ?        ?        15.82050 7.248767 ?              ?        
1 1 1 3   46 10 o 37.74768 5.392046 77.43795       19.35734 0.000000       0.000000 77.43795       19.35734 ?        ?        37.74768 5.392046 ?              ?        
1 1 1 3   46 11 o 21.32112 7.638074 25.71866       20.22140 0.000000       0.000000 25.71866       20.22140 ?        ?        21.32112 7.638074 ?              ?        
1 1 1 3   46 12 o 49.81182 5.093900 133.1358       24.48708 0.000000       0.000000 133.1358       24.48708 ?        ?        49.81182 5.093900 ?              ?        
1 1 1 3   46 13 f 45.08160 5.050443 109.1525       21.90351 0.000000       0.000000 109.1525       21.90351 ?        ?        45.08160 5.050443 ?              ?        
1 1 1 3   46 14 o 47.29184 5.658440 122.7721       25.67396 0.000000       0.000000 122.7721       25.67396 ?        ?        47.29184 5.658440 ?              ?        
1 1 1 3   46 15 o 18.69898 7.092081 17.76515       17.86287 0.000000       0.000000 17.76515       17.86287 ?        ?        18.69898 7.092081 ?              ?        
1 1 1 3   46 16 o 29.00767 9.282893 56.61187       29.79325 0.000000       0.000000 56.61187       29.79325 ?        ?        29.00767 9.282893 ?              ?        
1 1 1 3   46 17 o 18.87498 8.187125 10.17509       27.99750 0.000000       0.000000 10.17509       27.99750 ?        ?        18.87498 8.187125 ?              ?        
1 1 1 3   46 18 f 20.87686 8.541459 22.04370       27.73372 0.000000       0.000000 22.04370       27.73372 ?        ?        20.87686 8.541459 ?              ?        
1 1 1 3   46 19 o 16.32384 7.499200 -6.123961      27.37563 0.000000       0.000000 -6.123961      27.37563 ?        ?        16.32384 7.499200 ?              ?        
1 1 1 3   46 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 3   47 0  o 49.68224 5.390702 134.1047       25.79554 0.000000       0.000000 134.1047       25.79554 ?        ?        49.68224 5.390702 ?              ?        
1 1 1 3   47 1  o 18.58752 7.582232 14.42155       21.77467 0.000000       0.000000 14.42155       21.77467 ?        ?        18.58752 7.582232 ?              ?        
1 1 1 3   47 2  o 22.26735 7.461499 29.26052       19.15177 0.000000       0.000000 29.26052       19.15177 ?        ?        22.26735 7.461499 ?              ?        
1 1 1 3   47 3  o 17.10498 7.208049 8.766899       20.59410 0.000000       0.000000 8.766899       20.59410 ?        ?        17.10498 7.208049 ?              ?        
1 1 1 3   47 4  o 20.59050 7.389848 23.82940       18.93784 0.000000       0.000000 23.82940       18.93784 ?        ?        20.59050 7.389848 ?              ?        
1 1 1 3   47 5  o 21.61916 7.404325 27.25395       18.86604 0.000000       0.000000 27.25395       18.86604 ?        ?        21.61916 7.404325 ?              ?        
1 1 1 3   47 6  o 19.76352 7.313449 21.10401       18.75307 0.000000       0.000000 21.10401       18.75307 ?        ?        19.76352 7.313449 ?              ?        
1 1 1 3   47 7  o 14.29333 6.352797 -1.109126      17.81849 0.000000       0.000000 -1.109126      17.81849 ?        ?        14.29333 6.352797 ?              ?        
1 1 1 3   47 8  o 19.02684 7.403200 17.99685       19.81117 0.000000       0.000000 17.99685       19.81117 ?        ?        19.02684 7.403200 ?              ?        
1 1 1 3   47 9  o 22.68394 7.253133 30.73790       18.19161 0.000000       0.000000 30.73790       18.19161 ?        ?        22.68394 7.253133 ?              ?        
1 1 1 3   47 10 o 24.14022 9.256413 36.69203       30.64209 0.000000       0.000000 36.69203       30.64209 ?        ?        24.14022 9.256413 ?              ?        
1 1 1 3   47 11 f 17.29220 7.089974 11.67349       19.16014 0.000000       0.000000 11.67349       19.16014 ?        ?        17.29220 7.089974 ?              ?        
1 1 1 3   47 12 f 17.91092 6.985487 15.45529       17.67178 0.000000       0.000000 15.45529       17.67178 ?        ?        17.91092 6.985487 ?              ?        
1 1 1 3   47 13 o 59.91939 3.890848 186.7117       22.69672 0.000000       0.000000 186.7117       22.69672 ?        ?        59.91939 3.890848 ?              ?        
1 1 1 3   47 14 o 24.66556 9.116511 39.95000       29.12429 0.000000       0.000000 39.95000       29.12429 ?        ?        24.66556 9.116511 ?              ?        
1 1 1 3   47 15 o 20.49073 8.562504 19.88086       28.68577 0.000000       0.000000 19.88086       28.68577 ?        ?        20.49073 8.562504 ?              ?        
1 1 1 3   48 0  o 14.99710 6.519845 3.081828       17.83873 0.000000       0.000000 3.081828       17.83873 ?        ?        14.99710 6.519845 ?              ?        
1 1 1 3   48 1  o 27.81113 7.952076 49.15269       22.73421 0.000000       0.000000 49.15269       22.73421 ?        ?        27.81113 7.952076 ?              ?        
1 1 1 3   48 2  o 14.46809 6.619599 -5.916121      21.03878 0.000000       0.000000 -5.916121      21.03878 ?        ?        14.46809 6.619599 ?              ?        
1 1 1 3   48 3  o 30.72454 7.267991 57.47269       21.51346 0.000000       0.000000 57.47269       21.51346 ?        ?        30.72454 7.267991 ?              ?        
1 1 1 3   48 4  o 12.75276 6.021124 -14.92162      19.67799 0.000000       0.000000 -14.92162      19.67799 ?        ?        12.75276 6.021124 ?              ?        
1 1 1 3   48 5  o 19.21211 7.233377 20.05104       18.50324 0.000000       0.000000 20.05104       18.50324 ?        ?        19.21211 7.233377 ?              ?        
1 1 1 3   48 6  o 16.74542 7.054921 9.084885       19.72119 0.000000       0.000000 9.084885       19.72119 ?        ?        16.74542 7.054921 ?              ?        
1 1 1 3   48 7  o 46.83215 4.626717 117.3089       20.93234 0.000000       0.000000 117.3089       20.93234 ?        ?        46.83215 4.626717 ?              ?        
1 1 1 3   48 8  o 18.36409 7.118876 17.09077       18.26635 0.000000       0.000000 17.09077       18.26635 ?        ?        18.36409 7.118876 ?              ?        
1 1 1 3   48 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  0  f 276.1384 7.581938 3743.262       204.5844 3743.262       204.5844 3743.262       204.5844 276.1384 7.581938 276.1384 7.581938 0.000000       0.000000 
1 1 1 4   0  1  o 296.4207 8.091299 4313.695       234.3694 4313.695       234.3694 4313.695       234.3694 296.4207 8.091299 296.4207 8.091299 0.000000       0.000000 
1 1 1 4   0  2  o 388.2772 10.39173 7405.261       394.3049 7405.261       394.3049 7405.261       394.3049 388.2772 10.39173 388.2772 10.39173 0.000000       0.000000 
1 1 1 4   0  3  o 357.6993 9.622642 6283.954       336.3625 6283.954       336.3625 6283.954       336.3625 357.6993 9.622642 357.6993 9.622642 0.000000       0.000000 
1 1 1 4   0  4  o 116.5786 3.959797 667.6007       45.06710 667.6007       45.06710 667.6007       45.06710 116.5786 3.959797 116.5786 3.959797 0.000000       0.000000 
1 1 1 4   0  5  o 121.3725 4.069966 723.5975       48.22897 723.5975       48.22897 723.5975       48.22897 121.3725 4.069966 121.3725 4.069966 0.000000       0.000000 
1 1 1 4   0  6  o 73.37466 3.375485 265.2182       24.12589 265.2182       24.12589 265.2182       24.12589 73.37466 3.375485 73.37466 3.375485 0.000000       0.000000 
1 1 1 4   0  7  o 236.6684 6.656215 2750.483       153.9205 2750.483       153.9205 2750.483       153.9205 236.6684 6.656215 236.6684 6.656215 0.000000       0.000000 
1 1 1 4   0  8  o 444.9396 11.87359 9745.091       516.2852 9745.091       516.2852 9745.091       516.2852 444.9396 11.87359 444.9396 11.87359 0.000000       0.000000 
1 1 1 4   0  9  o 189.6654 5.592240 1766.666       103.6154 1766.666       103.6154 1766.666       103.6154 189.6654 5.592240 189.6654 5.592240 0.000000       0.000000 
1 1 1 4   0  10 o 177.5448 5.343809 1548.051       92.67725 1548.051       92.67725 1548.051       92.67725 177.5448 5.343809 177.5448 5.343809 0.000000       0.000000 
1 1 1 4   0  11 o 170.5222 5.214952 1427.914       86.85928 1427.914       86.85928 1427.914       86.85928 170.5222 5.214952 170.5222 5.214952 0.000000       0.000000 
1 1 1 4   0  12 o 450.3773 12.01456 9971.958       528.8000 9971.958       528.8000 9971.958       528.8000 450.3773 12.01456 450.3773 12.01456 0.000000       0.000000 
1 1 1 4   0  13 o 468.0991 12.46267 10768.56       570.1100 10768.56       570.1100 10768.56       570.1100 468.0991 12.46267 468.0991 12.46267 0.000000       0.000000 
1 1 1 4   0  14 o 413.2038 11.06379 8385.832       446.7556 8385.832       446.7556 8385.832       446.7556 413.2038 11.06379 413.2038 11.06379 0.000000       0.000000 
1 1 1 4   0  15 o 764.7416 20.12157 28813.33       1503.844 28813.33       1503.844 28813.33       1503.844 764.7416 20.12157 764.7416 20.12157 0.000000       0.000000 
1 1 1 4   0  16 o 262.3517 7.361186 3378.656       188.6966 3378.656       188.6966 3378.656       188.6966 262.3517 7.361186 262.3517 7.361186 0.000000       0.000000 
1 1 1 4   0  17 o 273.3319 10.85429 3679.000       289.3586 3679.000       289.3586 3679.000       289.3586 273.3319 10.85429 273.3319 10.85429 0.000000       0.000000 
1 1 1 4   0  18 o 223.0945 9.201837 2451.000       200.1626 2451.000       200.1626 2451.000       200.1626 223.0945 9.201837 223.0945 9.201837 0.000000       0.000000 
1 1 1 4   0  19 o 410.9504 11.04935 8297.777       443.7333 8297.777       443.7333 8297.777       443.7333 410.9504 11.04935 410.9504 11.04935 0.000000       0.000000 
1 1 1 4   0  20 o 223.7289 6.529332 2457.739       142.7115 2457.739       142.7115 2457.739       142.7115 223.7289 6.529332 223.7289 6.529332 0.000000       0.000000 
1 1 1 4   0  21 o 256.3653 10.34112 3239.000       258.5359 3239.000       258.5359 3239.000       258.5359 256.3653 10.34112 256.3653 10.34112 0.000000       0.000000 
1 1 1 4   0  22 o 236.2571 6.837344 2741.545       157.8172 2741.545       157.8172 2741.545       157.8172 236.2571 6.837344 236.2571 6.837344 0.000000       0.000000 
1 1 1 4   0  23 o 280.0761 7.839433 3854.354       214.5343 3854.354       214.5343 3854.354       214.5343 280.0761 7.839433 280.0761 7.839433 0.000000       0.000000 
1 1 1 4   0  24 o 71.12633 5.139211 251.6442       35.34143 251.6442       35.34143 251.6442       35.34143 71.12633 5.139211 71.12633 5.139211 0.000000       0.000000 
1 1 1 4   0  25 o 359.0406 9.799032 6343.711       343.7962 6343.711       343.7962 6343.711       343.7962 359.0406 9.799032 359.0406 9.799032 0.000000       0.000000 
1 1 1 4   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  27 o 211.8108 6.340138 2205.263       131.1810 2205.263       131.1810 2205.263       131.1810 211.8108 6.340138 211.8108 6.340138 0.000000       0.000000 
1 1 1 4   0  28 o 295.1852 8.247721 4287.530       237.8852 4287.530       237.8852 4287.530       237.8852 295.1852 8.247721 295.1852 8.247721 0.000000       0.000000 
1 1 1 4   0  29 o 178.6142 5.714518 1568.633       99.67651 1568.633       99.67651 1568.633       99.67651 178.6142 5.714518 178.6142 5.714518 0.000000       0.000000 
1 1 1 4   0  30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  31 o 64.45625 6.045313 209.0507       37.32501 209.0507       37.32501 209.0507       37.32501 64.45625 6.045313 64.45625 6.045313 0.000000       0.000000 
1 1 1 4   0  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  33 o 103.4318 4.910293 528.0021       49.45641 528.0021       49.45641 528.0021       49.45641 103.4318 4.910293 103.4318 4.910293 0.000000       0.000000 
1 1 1 4   0  34 o 295.7723 8.309726 4315.532       240.1455 4315.532       240.1455 4315.532       240.1455 295.7723 8.309726 295.7723 8.309726 0.000000       0.000000 
1 1 1 4   0  35 o 141.6962 5.144787 988.9749       71.14250 988.9749       71.14250 988.9749       71.14250 141.6962 5.144787 141.6962 5.144787 0.000000       0.000000 
1 1 1 4   0  36 o 104.2326 4.893201 536.6679       49.67172 536.6679       49.67172 536.6679       49.67172 104.2326 4.893201 104.2326 4.893201 0.000000       0.000000 
1 1 1 4   0  37 o 193.2712 8.554416 1857.000       161.1082 1857.000       161.1082 1857.000       161.1082 193.2712 8.554416 193.2712 8.554416 0.000000       0.000000 
1 1 1 4   0  38 o 210.8879 9.091997 2218.000       186.8841 2218.000       186.8841 2218.000       186.8841 210.8879 9.091997 210.8879 9.091997 0.000000       0.000000 
1 1 1 4   0  39 o 38.77243 9.211708 85.79939       30.34420 85.79939       30.34420 85.79939       30.34420 38.77243 9.211708 38.77243 9.211708 0.000000       0.000000 
1 1 1 4   0  40 o 48.68241 12.86762 140.9000       52.97470 140.9000       52.97470 140.9000       52.97470 48.68241 12.86762 48.68241 12.86762 0.000000       0.000000 
1 1 1 4   0  41 o 32.07649 10.94582 66.53561       30.83272 66.53561       30.83272 66.53561       30.83272 32.07649 10.94582 32.07649 10.94582 0.000000       0.000000 
1 1 1 4   0  42 o 11.08254 7.650960 -20.89012      27.88946 -20.89012      27.88946 -20.89012      27.88946 11.08254 7.650960 11.08254 7.650960 0.000000       0.000000 
1 1 1 4   0  43 o 60.91396 6.277026 189.4800       36.43704 189.4800       36.43704 189.4800       36.43704 60.91396 6.277026 60.91396 6.277026 0.000000       0.000000 
1 1 1 4   0  44 o 48.09381 7.669313 123.4559       33.35623 123.4559       33.35623 123.4559       33.35623 48.09381 7.669313 48.09381 7.669313 0.000000       0.000000 
1 1 1 4   0  45 o 141.1964 5.289471 990.1849       72.87095 990.1849       72.87095 990.1849       72.87095 141.1964 5.289471 141.1964 5.289471 0.000000       0.000000 
1 1 1 4   0  46 o 112.5557 5.107137 630.6122       56.00208 630.6122       56.00208 630.6122       56.00208 112.5557 5.107137 112.5557 5.107137 0.000000       0.000000 
1 1 1 4   0  47 o 80.35772 5.331815 324.4788       41.50820 324.4788       41.50820 324.4788       41.50820 80.35772 5.331815 80.35772 5.331815 0.000000       0.000000 
1 1 1 4   0  48 o 53.11519 6.990521 148.5099       34.59667 148.5099       34.59667 148.5099       34.59667 53.11519 6.990521 53.11519 6.990521 0.000000       0.000000 
1 1 1 4   0  49 o 65.70772 5.711292 220.1217       36.06763 220.1217       36.06763 220.1217       36.06763 65.70772 5.711292 65.70772 5.711292 0.000000       0.000000 
1 1 1 4   0  50 o 19.67653 10.47875 29.69731       27.35701 29.69731       27.35701 29.69731       27.35701 19.67653 10.47875 19.67653 10.47875 0.000000       0.000000 
1 1 1 4   0  51 f 18.50452 10.15461 25.73160       26.44300 25.73160       26.44300 25.73160       26.44300 18.50452 10.15461 18.50452 10.15461 0.000000       0.000000 
1 1 1 4   0  52 o 19.89803 11.17909 29.91000       32.93956 29.91000       32.93956 29.91000       32.93956 19.89803 11.17909 19.89803 11.17909 0.000000       0.000000 
1 1 1 4   0  53 o 60.38246 7.328466 193.2000       41.61714 193.2000       41.61714 193.2000       41.61714 60.38246 7.328466 60.38246 7.328466 0.000000       0.000000 
1 1 1 4   0  54 o 21.73922 12.92369 34.70000       48.03167 34.70000       48.03167 34.70000       48.03167 21.73922 12.92369 21.73922 12.92369 0.000000       0.000000 
1 1 1 4   0  55 o 17.42989 11.15608 10.26000       42.75701 10.26000       42.75701 10.26000       42.75701 17.42989 11.15608 17.42989 11.15608 0.000000       0.000000 
1 1 1 4   0  56 o 20.52522 10.54750 33.56471       26.99146 33.56471       26.99146 33.56471       26.99146 20.52522 10.54750 20.52522 10.54750 0.000000       0.000000 
1 1 1 4   0  57 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   0  58 o 19.29608 10.37648 29.51446       27.05870 29.51446       27.05870 29.51446       27.05870 19.29608 10.37648 19.29608 10.37648 0.000000       0.000000 
1 1 1 4   0  59 o 38.78994 9.174272 89.46381       30.24605 89.46381       30.24605 89.46381       30.24605 38.78994 9.174272 38.78994 9.174272 0.000000       0.000000 
1 1 1 4   0  60 o 12.01241 8.108294 -9.146636      27.72757 -9.146636      27.72757 -9.146636      27.72757 12.01241 8.108294 12.01241 8.108294 0.000000       0.000000 
1 1 1 4   0  61 o 47.46184 7.164131 122.8289       31.04265 122.8289       31.04265 122.8289       31.04265 47.46184 7.164131 47.46184 7.164131 0.000000       0.000000 
1 1 1 4   0  62 o 55.38978 6.339854 162.5214       33.20784 162.5214       33.20784 162.5214       33.20784 55.38978 6.339854 55.38978 6.339854 0.000000       0.000000 
1 1 1 4   1  0  o 361.8107 6.849735 6415.003       242.5836 6363.394       341.3144 6467.685       344.8428 359.9912 9.695095 362.9287 9.715931 -2.937531      13.72568 
1 1 1 4   1  1  o 335.7921 6.388050 5524.642       209.9641 5592.994       299.3608 5458.462       294.5653 337.5500 9.068686 333.4666 9.032817 4.083405       12.79972 
1 1 1 4   1  2  o 299.8275 5.758497 4403.774       169.0000 4392.859       238.6463 4414.754       239.3596 299.2047 8.156156 299.9496 8.160185 -0.7449341     11.53739 
1 1 1 4   1  3  o 357.8739 6.783766 6276.582       237.6332 6358.165       339.1309 6197.884       333.0791 359.8170 9.637640 355.2559 9.587316 4.561096       13.59414 
1 1 1 4   1  4  o 579.5761 10.78683 16499.49       611.9425 16568.89       868.1566 16430.96       862.7039 579.5320 15.31776 577.1228 15.28515 2.409241       21.63954 
1 1 1 4   1  5  o 227.7890 4.528650 2541.238       100.9736 2612.822       145.3173 2474.411       140.4057 230.8033 6.438633 224.6056 6.392932 6.197754       9.073344 
1 1 1 4   1  6  o 392.0517 7.402568 7538.437       284.0743 7526.130       401.3590 7550.791       402.1256 391.1762 10.49172 391.8165 10.49455 -0.6402893     14.83954 
1 1 1 4   1  7  o 654.6553 12.19165 21116.12       781.2347 21916.83       1134.809 20394.75       1077.113 664.4007 17.46478 641.0469 17.18134 23.35382       24.49933 
1 1 1 4   1  8  o 397.0421 7.505244 7738.019       291.6806 7997.416       421.9423 7500.610       403.6620 402.8887 10.70895 390.1969 10.57861 12.69180       15.05286 
1 1 1 4   1  9  o 154.5045 3.397278 1169.050       51.37813 1170.326       72.72949 1167.779       72.59000 154.4646 4.816219 154.2966 4.812221 0.1680145      6.808336 
1 1 1 4   1  10 o 314.1768 6.042730 4839.765       185.8290 4814.104       261.8294 4865.812       263.7854 312.9381 8.555816 314.6126 8.573803 -1.674469      12.11248 
1 1 1 4   1  11 o 186.1695 3.912005 1697.343       71.28764 1689.355       100.6735 1705.377       100.9590 185.5887 5.548109 186.4682 5.537523 -0.8794861     7.838729 
1 1 1 4   1  12 o 540.7152 10.09562 14356.35       534.3278 15060.00       1105.560 14141.89       610.3469 550.6024 20.54947 536.3739 11.62527 14.22845       23.60990 
1 1 1 4   1  13 o 455.0536 9.893799 10160.33       440.6887 9734.000       737.3870 10397.20       549.6462 443.9857 16.99900 459.8597 12.22185 -15.87402      20.93656 
1 1 1 4   1  14 o 437.7342 8.247542 9392.385       353.3794 9471.701       502.4619 9314.755       497.0893 439.0771 11.70155 435.4255 11.67364 3.651550       16.52877 
1 1 1 4   1  15 o 553.8901 10.32904 15051.47       560.0023 14947.44       787.9792 15157.64       796.0074 551.1109 14.62020 554.9653 14.66648 -3.854431      20.70883 
1 1 1 4   1  16 o 223.3648 5.245277 2443.366       114.6804 2368.391       137.5873 2614.000       207.5649 219.7831 6.402373 230.6935 9.210562 -10.91042      11.21717 
1 1 1 4   1  17 o 137.2948 3.869144 923.6139       51.94479 936.9643       63.77483 897.3000       89.53542 138.2454 4.719867 135.1565 6.789611 3.088928       8.268976 
1 1 1 4   1  18 o 187.0916 4.659996 1714.101       85.33870 1912.000       156.1744 1629.856       101.8965 197.3159 8.103388 182.3201 5.716836 14.99579       9.917011 
1 1 1 4   1  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   1  20 o 329.2335 7.335940 5314.615       236.4100 5336.270       290.3283 5272.000       407.2771 329.6301 9.006653 327.0692 12.74607 2.560944       15.60712 
1 1 1 4   1  21 o 451.8768 8.516265 10022.26       376.6825 10229.61       540.1633 9825.967       525.5560 455.6985 12.12068 446.6321 12.03258 9.066406       17.07904 
1 1 1 4   1  22 o 352.0712 7.810948 6083.477       269.1785 6387.000       480.7412 5944.858       324.8814 359.4556 13.68845 347.6664 9.555821 11.78918       16.69393 
1 1 1 4   1  23 o 81.64148 4.002759 327.2723       31.88971 354.6000       56.31056 314.3698       38.69234 84.73978 6.847116 79.93964 4.969465 4.800133       8.460413 
1 1 1 4   1  24 o 223.1507 4.603117 2440.274       100.5441 2405.732       140.6784 2476.343       143.7531 221.3278 6.500639 224.5496 6.547307 -3.221786      9.226350 
1 1 1 4   1  25 o 164.3199 5.380526 1325.494       86.42416 0.000000       0.000000 1325.494       86.42416 ?        ?        164.3199 5.380526 ?              ?        
1 1 1 4   1  26 o 164.6513 3.781713 1328.229       60.94806 1341.994       86.28130 1314.520       86.10612 165.3286 5.338658 163.6213 5.383686 1.707336       7.581909 
1 1 1 4   1  27 o 219.9282 5.284657 2372.751       113.7638 2364.885       138.5894 2389.000       199.1953 219.3427 6.462111 219.9566 9.272808 -0.6139069     11.30238 
1 1 1 4   1  28 o 271.1160 5.405545 3606.913       143.4501 3589.211       201.8016 3624.994       203.9536 269.9872 7.643858 271.3214 7.687396 -1.334198      10.84088 
1 1 1 4   1  29 o 263.9300 5.289579 3418.502       136.6520 3387.858       191.7820 3450.107       194.7628 262.2839 7.477793 264.6740 7.525400 -2.390076      10.60891 
1 1 1 4   1  30 o 248.6537 5.047596 3033.977       122.8530 3057.427       174.1978 3010.772       173.2864 249.1817 7.149398 247.2679 7.167193 1.913788       10.12337 
1 1 1 4   1  31 o 208.3988 4.432735 2130.293       90.42180 2114.518       126.9324 2146.547       128.8405 207.3016 6.262701 208.8588 6.309450 -1.557190      8.889915 
1 1 1 4   1  32 o 174.4014 3.981634 1491.586       67.97005 1502.331       95.87956 1480.730       96.37064 174.7667 5.612088 173.4935 5.682528 1.273193       7.986655 
1 1 1 4   1  33 o 231.5799 4.796407 2633.310       108.7234 2644.741       153.7100 2621.864       153.8063 231.6049 6.787610 230.5916 6.821852 1.013306       9.623373 
1 1 1 4   1  34 o 223.4799 4.673998 2453.008       102.2429 2447.433       143.9645 2458.680       145.2305 222.7346 6.610622 223.2346 6.653881 -0.5000305     9.379470 
1 1 1 4   1  35 f 243.7319 4.997607 2921.248       119.2287 2802.097       163.9703 3054.926       173.6777 238.0513 7.044766 248.5308 7.146757 -10.47949      10.03518 
1 1 1 4   1  36 o 100.5161 3.930207 496.9791       38.59396 473.1306       46.34950 550.9000       69.69366 97.94054 4.849861 105.3274 6.796258 -7.386894      8.349268 
1 1 1 4   1  37 o 209.7627 5.175735 2169.289       106.2690 2132.244       128.6137 2249.000       188.6602 207.4916 6.340018 211.7759 9.122574 -4.284302      11.10933 
1 1 1 4   1  38 o 77.85271 4.157911 299.1596       31.57018 268.3000       50.60339 318.8250       40.39565 73.09355 7.164789 80.19686 5.173618 -7.103310      8.837450 
1 1 1 4   1  39 o 35.19579 8.559652 64.75278       29.20065 61.20000       36.78048 70.81000       48.02532 34.36926 10.19829 37.14661 11.77437 -2.777351      15.57694 
1 1 1 4   1  40 o 83.41281 3.553268 343.0605       28.94482 350.8205       40.71025 335.1276       41.16181 84.05793 4.970060 82.10699 5.147529 1.950935       7.155316 
1 1 1 4   1  41 o 75.95737 4.489327 286.3113       33.22892 271.2000       60.79874 292.7477       39.67949 72.54505 8.737847 76.59698 5.325510 -4.051933      10.23284 
1 1 1 4   1  42 o 83.73374 3.665236 346.4565       29.96783 359.1043       42.71342 334.1950       42.05604 84.85611 5.167001 81.81556 5.279723 3.040550       7.387379 
1 1 1 4   1  43 o 111.8476 3.519947 617.7020       38.48824 623.2654       54.40005 612.1261       54.46119 111.8588 4.980966 110.8324 5.033257 1.026398       7.081221 
1 1 1 4   1  44 f 23.13462 7.817254 25.82962       21.01969 27.49190       29.51098 24.11792       29.94647 25.07951 9.192656 24.40482 9.199176 0.6746941      13.00499 
1 1 1 4   1  45 o 69.02922 4.008420 236.8373       26.96747 230.3142       37.96558 243.4801       38.31232 67.50629 5.801879 69.46475 5.684328 -1.958458      8.122400 
1 1 1 4   1  46 o 58.57383 4.459661 171.6729       25.37668 174.2507       35.87029 169.0900       35.90582 58.35994 6.383330 57.43429 6.501031 0.9256439      9.111000 
1 1 1 4   1  47 o 39.12751 6.079416 79.24414       22.52808 79.14012       31.39228 79.35460       32.34824 38.18620 8.605442 38.15561 8.835543 0.3058243E-01  12.33371 
1 1 1 4   1  48 o 78.59248 3.756871 307.7598       28.81736 344.5411       41.22131 272.6008       40.30204 82.54819 5.126925 73.12420 5.675058 9.423988       7.647983 
1 1 1 4   1  49 o 29.30231 7.166847 46.31023       20.38294 46.33550       28.63748 46.28428       29.01796 29.13982 9.072234 29.13631 9.141503 0.3503799E-02  12.87915 
1 1 1 4   1  50 o 37.02929 5.873432 71.64268       20.57865 72.72163       28.42263 70.45393       29.83383 36.34458 8.186727 35.56826 8.653021 0.7763214      11.91206 
1 1 1 4   1  51 o 36.31582 6.480051 70.00385       22.18950 75.14990       28.22720 61.68000       35.89985 36.96484 8.031490 32.83542 10.14696 4.129425       12.94085 
1 1 1 4   1  52 o 55.77092 4.571577 157.9118       24.73746 152.1666       31.22227 167.6000       40.54459 54.04990 6.002623 55.77348 7.626289 -1.723576      9.705245 
1 1 1 4   1  53 o 60.22822 4.781927 184.9961       27.95966 180.4735       32.49204 197.9000       54.88348 58.99144 5.697895 58.72906 9.898951 0.2623825      11.42170 
1 1 1 4   1  54 o 26.80421 7.640139 39.80225       21.01792 13.31000       32.08616 59.71317       27.81660 21.79629 9.077898 32.36348 8.625173 -10.56719      12.52205 
1 1 1 4   1  55 o 35.15785 5.964846 65.76896       19.79421 69.12253       28.19184 62.50826       27.79878 34.85042 8.369826 33.03742 8.535836 1.813004       11.95469 
1 1 1 4   1  56 f 40.43366 7.599003 90.55145       28.97116 0.000000       0.000000 90.55145       28.97116 ?        ?        40.43366 7.599003 ?              ?        
1 1 1 4   1  57 o 33.67653 6.238454 61.11686       19.80702 75.17672       28.72875 48.37865       27.34516 36.31207 8.268577 28.95754 8.838895 7.354528       12.10353 
1 1 1 4   1  58 o 53.06618 4.450994 143.9819       22.90680 137.3000       32.61615 150.4856       32.17850 50.44319 6.777083 53.15725 6.307177 -2.714058      9.257934 
1 1 1 4   1  59 o 22.03798 7.538687 25.51953       19.55559 22.66486       27.77623 28.32521       27.53688 22.50058 8.762825 23.73710 8.847358 -1.236519      12.45242 
1 1 1 4   1  60 o 22.72278 7.485356 27.92508       19.29375 36.57303       27.04995 18.96922       27.52728 25.65336 8.862967 21.61650 8.628120 4.036863       12.36918 
1 1 1 4   1  61 o 25.95017 7.504640 38.09042       20.13918 18.68004       27.47291 60.63674       29.60911 21.45064 8.600064 31.88578 9.061426 -10.43514      12.49282 
1 1 1 4   1  62 o 24.79599 7.496584 34.88616       19.73447 45.89704       27.34051 22.90983       28.51396 27.83226 8.891087 22.35785 8.827124 5.474413       12.52875 
1 1 1 4   2  0  o 291.0026 5.603895 4148.160       159.6221 4239.199       229.1423 4062.335       222.4844 293.9377 7.971589 287.7420 7.906823 6.195679       11.22783 
1 1 1 4   2  1  o 592.4695 11.02852 17239.13       639.5720 17674.35       921.4645 16834.55       888.4230 598.6255 15.73961 584.2752 15.54828 14.35034       22.12429 
1 1 1 4   2  2  o 385.4940 7.277254 7284.265       274.5942 7665.823       402.1575 6951.002       375.8462 395.0053 10.41036 376.1518 10.21747 18.85349       14.58671 
1 1 1 4   2  3  o 281.7550 5.446118 3888.785       150.1983 3956.183       214.9407 3824.467       209.9713 283.9499 7.740627 279.1841 7.690899 4.765808       10.91179 
1 1 1 4   2  4  o 379.5191 7.176571 7061.119       266.5980 7537.136       394.3968 6660.610       361.7661 391.6210 10.29765 368.1664 10.04809 23.45459       14.38770 
1 1 1 4   2  5  o 350.0733 6.651149 6007.383       227.9092 6016.151       322.6746 5998.654       321.9513 349.9222 9.429378 349.4136 9.421946 0.5085449      13.32990 
1 1 1 4   2  6  o 311.3914 5.975743 4752.529       182.1398 4956.979       265.0537 4569.604       250.7132 317.6643 8.532035 305.0071 8.405728 12.65723       11.97714 
1 1 1 4   2  7  o 103.6206 2.693276 526.0340       27.29385 511.9394       38.36028 540.4854       38.84292 102.1668 3.842736 104.9836 3.786132 -2.816856      5.394573 
1 1 1 4   2  8  o 70.13663 2.453290 241.1218       16.81631 245.6090       24.09928 236.8635       23.47665 70.73182 3.491624 69.45974 3.463932 1.272079       4.918359 
1 1 1 4   2  9  o 88.52173 2.611543 383.9840       22.60363 359.6953       31.51964 409.7002       32.43262 85.61366 3.770497 91.38994 3.632818 -5.776283      5.235839 
1 1 1 4   2  10 o 165.3903 3.576333 1339.568       57.89675 1389.589       83.59650 1293.457       80.26199 168.3207 5.079741 162.3904 5.055602 5.930344       7.166790 
1 1 1 4   2  11 o 204.6248 4.189227 2050.653       83.90704 2018.000       165.2211 2062.001       97.40241 202.6115 8.348850 205.1662 4.850178 -2.554749      9.655440 
1 1 1 4   2  12 o 114.5719 3.400111 643.2336       38.08873 729.9000       67.77277 603.2222       46.04912 121.9285 5.694359 110.9077 4.249693 11.02081       7.105323 
1 1 1 4   2  13 o 157.5558 3.514847 1215.289       54.20595 1275.000       109.4044 1195.862       62.40407 161.1578 6.951842 156.2296 4.084285 4.928223       8.062847 
1 1 1 4   2  14 o 409.0157 7.722136 8198.778       309.1602 8494.578       447.7323 7929.219       427.4124 415.8917 11.00814 401.8203 10.87699 14.07141       15.47540 
1 1 1 4   2  15 f 299.8666 6.710317 4405.347       196.9597 4515.697       244.8448 4203.000       331.5529 303.4073 8.252052 292.3707 11.60852 11.03665       14.24269 
1 1 1 4   2  16 o 405.6719 8.862665 8069.375       351.9213 8422.686       443.4076 7468.000       578.4918 414.1106 10.94868 389.2625 15.21196 24.84802       18.74240 
1 1 1 4   2  17 o 282.1274 5.527884 3898.517       152.6548 3866.133       214.2157 3931.932       217.5969 280.7386 7.803051 283.1146 7.859676 -2.376007      11.07529 
1 1 1 4   2  18 o 593.4286 12.78138 17311.10       742.4248 17606.80       920.2953 16760.00       1256.372 597.5935 15.74685 580.9580 22.13412 16.63550       27.16400 
1 1 1 4   2  19 o 234.6861 6.759508 2701.460       155.1158 2548.000       210.1867 2885.000       229.8654 227.6751 9.452118 242.2600 9.713305 -14.58485      13.55326 
1 1 1 4   2  20 o 102.2954 3.815592 513.1082       38.13839 439.8000       59.35821 564.6484       49.77113 94.50876 6.455320 107.2648 4.752186 -12.75603      8.015886 
1 1 1 4   2  21 o 302.4387 5.898565 4482.926       174.6184 4382.656       242.8721 4590.222       251.2356 298.7156 8.314499 305.7012 8.404079 -6.985535      11.82199 
1 1 1 4   2  22 o 208.4421 6.205915 2132.111       126.4776 2100.000       176.5044 2166.000       181.3257 206.5917 8.748241 209.8058 8.849360 -3.214172      12.44359 
1 1 1 4   2  23 f 422.8981 9.264050 8793.638       383.4801 8084.000       625.2864 9221.461       485.5039 403.3703 15.86781 432.3767 11.48177 -29.00641      19.58618 
1 1 1 4   2  24 o 259.3990 7.348792 3306.880       186.4028 3136.000       254.6893 3504.000       273.5465 252.0855 10.34380 266.4544 10.50883 -14.36894      14.74550 
1 1 1 4   2  25 o 207.3818 5.048206 2108.537       102.4741 2292.000       184.6722 2026.915       123.1779 215.6591 8.766651 203.1436 6.202012 12.51555       10.73867 
1 1 1 4   2  26 o 168.9549 3.835521 1398.633       63.43096 1411.007       89.57327 1386.185       89.83716 169.5218 5.405080 168.0159 5.469889 1.505829       7.689901 
1 1 1 4   2  27 o 119.0857 3.375410 695.2806       39.30555 657.0755       53.66483 739.4938       57.73047 115.6627 4.750240 122.7080 4.815818 -7.045357      6.764383 
1 1 1 4   2  28 o 152.2115 3.663653 1135.280       54.58435 1089.836       74.98219 1186.511       79.61367 148.9567 5.150456 155.4210 5.240750 -6.464233      7.347970 
1 1 1 4   2  29 o 125.3753 3.984624 771.2805       48.83754 756.7401       58.66692 804.1000       88.13953 124.1109 4.838492 127.6721 7.080647 -3.561195      8.575930 
1 1 1 4   2  30 o 135.4786 3.561312 900.0991       47.18566 888.8132       65.54751 912.2383       67.98015 134.4957 4.987632 136.2461 5.106472 -1.750381      7.138104 
1 1 1 4   2  31 o 290.0800 5.738740 4133.880       162.9448 4137.942       230.0664 4129.792       230.8130 289.5616 8.125230 289.2657 8.160019 0.2958374      11.51544 
1 1 1 4   2  32 o 245.4195 5.011175 2957.218       120.3801 2941.904       169.2179 2972.909       171.2874 244.2935 7.084137 245.5662 7.133641 -1.272659      10.05355 
1 1 1 4   2  33 o 119.7345 3.471431 703.4500       40.64202 670.9542       55.71649 740.4028       59.41457 116.7846 4.884857 122.6806 4.958000 -5.895958      6.960143 
1 1 1 4   2  34 o 119.6610 3.494290 702.7859       40.88390 713.3331       57.32913 691.8706       58.32074 120.3947 4.874846 118.5443 5.037642 1.850357       7.010133 
1 1 1 4   2  35 o 126.2873 4.018964 783.7670       49.61656 784.1371       60.41458 783.0000       86.96381 126.1909 4.900424 125.6799 7.097991 0.5110626      8.625290 
1 1 1 4   2  36 o 267.0338 5.383277 3513.359       140.7082 3564.433       200.1172 3463.419       197.8844 267.9579 7.637567 264.1186 7.662416 3.839294       10.81874 
1 1 1 4   2  37 f 132.3137 3.559490 860.4519       46.05791 881.2331       64.83947 839.2865       65.43606 133.6375 4.965475 130.3760 5.137648 3.261475       7.145023 
1 1 1 4   2  38 o 88.41367 4.082944 385.5034       35.23911 386.6731       42.17860 382.8000       64.12585 88.40199 4.893524 87.29903 7.579466 1.102951       9.021912 
1 1 1 4   2  39 o 33.05299 7.504996 56.73900       23.72472 56.54000       35.76362 56.89540       31.70541 33.17720 10.10463 33.07441 9.369152 0.1027870      13.77986 
1 1 1 4   2  40 o 68.02396 4.465082 229.4684       29.56581 227.9000       46.39067 230.5413       38.36740 67.10517 7.173822 67.87315 5.831556 -0.7679749     9.245040 
1 1 1 4   2  41 o 66.03971 4.095055 216.1349       26.34082 259.0023       37.56846 174.6841       36.94251 72.01105 5.368516 58.74899 6.534659 13.26206       8.457111 
1 1 1 4   2  42 o 98.33392 4.190125 478.9118       40.23832 518.5000       73.02921 461.6539       48.21777 101.0705 7.433874 96.25622 5.136264 4.814308       9.035690 
1 1 1 4   2  43 o 77.50744 4.486708 298.7704       33.89355 326.6000       62.50055 287.1767       40.34034 79.65514 8.129982 75.68658 5.482369 3.968559       9.805763 
1 1 1 4   2  44 o 26.02461 7.655680 35.18309       20.80059 37.35831       29.00348 32.87941       29.84765 27.40109 9.182204 26.40351 9.297631 0.9975796      13.06747 
1 1 1 4   2  45 o 44.42384 5.363802 100.0428       22.85199 108.0338       31.54152 91.21394       33.15391 45.55294 7.321985 41.38275 8.470353 4.170185       11.19635 
1 1 1 4   2  46 o 96.05749 3.587486 457.1693       33.67161 463.6825       47.05445 450.3338       48.20406 96.18401 5.015272 94.69283 5.220888 1.491188       7.239518 
1 1 1 4   2  47 o 68.83768 4.027461 236.3846       27.01858 254.0201       37.33587 216.9950       39.14864 70.83382 5.426234 65.09536 6.219668 5.738464       8.253986 
1 1 1 4   2  48 o 51.11906 4.809554 132.2997       23.78268 153.6389       32.99911 109.2360       34.30656 54.50395 6.301320 45.06386 8.074102 9.440086       10.24196 
1 1 1 4   2  49 o 19.84597 7.424469 16.66011       19.42773 26.82701       26.61688 5.067640       28.42176 23.90020 8.735094 19.80827 8.413005 4.091928       12.12768 
1 1 1 4   2  50 f 19.10481 7.558491 12.45929       20.94662 17.10896       26.61091 4.886000       33.96182 21.58825 8.526165 21.19829 9.104670 0.3899612      12.47359 
1 1 1 4   2  51 o 30.53695 7.367547 50.86045       21.76665 48.17831       28.13385 54.86000       34.35534 29.44363 8.961128 31.18731 9.967040 -1.743679      13.40312 
1 1 1 4   2  52 o 58.14266 4.877283 172.4120       27.50183 181.0146       32.25421 149.5000       52.63827 59.19376 5.634667 50.21556 11.01300 8.978195       12.37076 
1 1 1 4   2  53 o 23.72606 7.271763 30.30958       18.48381 15.31719       25.38278 47.23485       26.96942 20.72495 8.280886 28.98059 8.764100 -8.255632      12.05747 
1 1 1 4   2  54 o 19.97686 7.208651 18.96914       18.04898 50.92275       26.02141 -10.65788      25.05618 29.96972 8.487267 16.01237 7.286863 13.95735       11.18624 
1 1 1 4   2  55 o 20.00840 7.609445 17.42126       20.59836 -18.73000      32.79939 40.96466       26.46907 17.44536 8.083299 27.03421 8.758783 -9.588852      11.91873 
1 1 1 4   2  56 o 55.95011 4.234814 159.0735       23.01996 167.2069       33.42963 151.7388       31.74588 56.24401 6.173599 53.55856 6.168035 2.685452       8.726853 
1 1 1 4   2  57 o 48.14173 5.598621 121.5015       25.89048 120.5000       50.98426 121.8495       30.05393 43.37693 11.72884 47.60134 6.629907 -4.224407      13.47299 
1 1 1 4   2  58 o 29.07188 7.530790 47.53327       21.60006 51.49837       27.95609 41.66000       34.02433 29.76453 8.905540 27.37325 9.894775 2.391287       13.31222 
1 1 1 4   2  59 o 57.96951 4.218963 171.0257       23.77543 186.8937       33.86696 155.6059       33.38530 59.56706 5.885324 53.93177 6.452057 5.635292       8.733045 
1 1 1 4   2  60 o 58.57658 4.163472 174.6273       23.71624 195.6844       33.67458 153.9040       33.40668 61.03122 5.702981 53.52686 6.509798 7.504364       8.654563 
1 1 1 4   2  61 o 18.94463 7.245733 15.67352       18.74389 4.044714       26.61073 27.12424       26.40618 18.51540 8.006539 23.13980 8.655985 -4.624399      11.79113 
1 1 1 4   2  62 o 14.46375 6.520479 -5.893409      19.50382 2.336871       25.19111 -18.21000      30.81664 17.72870 7.727044 16.60811 7.742671 1.120588       10.93875 
1 1 1 4   3  0  o 235.2489 4.647638 2710.286       107.0203 2731.308       152.1614 2689.707       150.5506 235.9898 6.593727 234.1858 6.574241 1.804047       9.311170 
1 1 1 4   3  1  o 643.8676 13.85237 20408.48       873.0251 20463.80       1072.807 20300.00       1502.163 643.5561 17.04558 637.9641 24.09884 5.592041       29.51789 
1 1 1 4   3  2  o 135.4550 3.530468 898.9409       46.76955 893.0959       57.22436 910.7000       81.16749 134.9767 4.336905 136.1950 6.104072 -1.218307      7.487885 
1 1 1 4   3  3  o 411.9375 7.763326 8321.530       313.0296 8253.759       441.2390 8390.201       444.1567 409.6985 11.01279 413.0765 10.99476 -3.377991      15.56170 
1 1 1 4   3  4  o 503.8421 9.420292 12463.45       464.5848 12158.25       645.9178 12790.58       668.7197 496.6829 13.29789 509.4105 13.42297 -12.72760      18.89471 
1 1 1 4   3  5  o 428.4279 8.055772 9006.367       337.8245 9436.361       493.6443 8627.598       463.3092 437.7972 11.52957 418.6484 11.31654 19.14880       16.15534 
1 1 1 4   3  6  o 477.9715 8.955631 11221.75       418.9908 11443.70       600.9067 11011.75       584.5180 481.6106 12.75814 472.4593 12.65081 9.151276       17.96700 
1 1 1 4   3  7  o 295.0252 5.695797 4267.052       164.4826 4379.714       236.6588 4161.776       228.7688 298.5275 8.106515 291.0098 8.038948 7.517761       11.41667 
1 1 1 4   3  8  o 202.1785 4.130559 2002.436       81.74291 2021.118       116.3795 1984.246       114.8397 202.9374 5.864946 201.0785 5.840914 1.858887       8.277310 
1 1 1 4   3  9  o 193.2334 3.996849 1828.963       75.59725 1857.397       108.0477 1801.695       105.8088 194.5640 5.679522 191.6247 5.647266 2.939346       8.009280 
1 1 1 4   3  10 o 263.6268 5.163818 3405.479       133.2498 3594.000       275.1343 3347.710       152.3034 270.1279 10.42522 261.3294 5.954086 8.798553       12.00568 
1 1 1 4   3  11 o 99.55901 2.771320 485.6164       26.98055 544.1000       53.79301 465.9588       31.18701 105.2572 5.237621 97.50073 3.272468 7.756508       6.175899 
1 1 1 4   3  12 o 365.0858 6.937726 6532.245       247.9238 6832.000       510.3949 6439.675       283.6338 372.3203 14.03011 362.4081 7.995652 9.912201       16.14851 
1 1 1 4   3  13 o 535.6384 11.55522 14087.14       605.8373 14580.00       1074.023 13857.13       733.7092 542.7515 20.25204 530.6370 14.13863 12.11456       24.69910 
1 1 1 4   3  14 o 412.0192 8.987174 8323.555       362.4489 8969.000       660.4262 8045.361       433.5789 426.5826 15.84420 404.7481 10.95410 21.83444       19.26216 
1 1 1 4   3  15 o 449.9855 8.459148 9926.404       372.5902 10110.38       533.2283 9750.883       520.8345 453.5968 12.02043 445.4635 11.95568 8.133331       16.95373 
1 1 1 4   3  16 o 412.4660 7.790252 8338.542       314.5183 8327.520       443.9404 8349.650       445.6566 411.7444 11.02508 412.2877 11.05314 -0.5433350     15.61167 
1 1 1 4   3  17 o 405.5023 8.857121 8063.659       351.5540 8109.387       431.9989 7974.000       604.9109 406.3006 10.87225 402.1407 15.39608 4.159943       18.84795 
1 1 1 4   3  18 o 446.8011 9.713403 9795.627       424.8072 9653.479       514.5286 10100.00       752.9097 443.1066 11.87372 452.1601 17.04207 -9.053497      20.77059 
1 1 1 4   3  19 o 137.3816 4.940032 925.5854       66.32188 928.6000       91.18786 922.2000       96.63564 137.4809 6.797310 136.9702 7.233479 0.5106659      9.926059 
1 1 1 4   3  20 o 288.4290 5.655734 4076.158       159.6740 4242.925       231.0647 3923.735       220.9041 293.9898 8.037161 282.7119 7.990785 11.27789       11.33352 
1 1 1 4   3  21 o 99.03821 3.821810 481.0509       36.97961 467.1000       59.05959 490.0476       47.42737 97.41727 6.226264 99.89742 4.864928 -2.480141      7.901512 
1 1 1 4   3  22 o 110.0426 4.613197 594.2948       49.57980 596.1000       68.42955 592.3000       71.93454 110.0713 6.378634 109.6857 6.732541 0.3856659      9.274378 
1 1 1 4   3  23 o 360.1962 6.899760 6366.606       243.2648 6438.024       346.1134 6296.883       341.9807 361.5955 9.787884 357.6090 9.779009 3.986542       13.83588 
1 1 1 4   3  24 o 99.01102 3.836157 480.9512       37.10766 529.4000       64.60895 457.1024       45.32980 103.6737 6.397920 96.45145 4.816652 7.222237       8.008340 
1 1 1 4   3  25 o 183.2176 4.645545 1646.441       83.24532 1640.000       142.3584 1649.787       102.6190 182.4749 7.989651 183.3016 5.726490 -0.8266754     9.829914 
1 1 1 4   3  26 o 299.1039 5.853557 4390.091       171.3753 4470.866       244.8605 4312.531       239.9370 301.3252 8.309826 295.9413 8.291126 5.383820       11.73865 
1 1 1 4   3  27 f 277.8169 5.502933 3787.168       149.6439 3860.298       213.5953 3716.672       209.7149 280.0154 7.800580 274.7517 7.805903 5.263672       11.03545 
1 1 1 4   3  28 o 131.3762 3.476910 846.2490       44.67190 832.1019       61.62978 861.9102       64.84390 130.1608 4.845774 132.4588 5.010322 -2.298035      6.970284 
1 1 1 4   3  29 o 186.2336 4.101669 1700.260       74.76959 1764.398       107.0598 1639.190       104.4681 189.4714 5.779427 182.6086 5.852179 6.862778       8.224948 
1 1 1 4   3  30 o 136.7376 4.946650 918.6287       66.09813 918.6287       66.09813 0.000000       0.000000 136.7376 4.946650 ?        ?        ?              ?        
1 1 1 4   3  31 o 196.8736 4.271392 1900.982       82.31200 1982.926       118.4273 1824.401       114.4862 200.7700 6.033091 192.5620 6.081650 8.207977       8.566484 
1 1 1 4   3  32 o 196.9169 4.281131 1902.240       82.51781 1918.332       116.4695 1886.022       116.9275 197.4281 6.034024 195.7430 6.110211 1.685089       8.587440 
1 1 1 4   3  33 o 311.5013 6.116373 4775.127       186.4920 4882.208       267.0094 4673.135       260.5867 313.9801 8.696344 307.1874 8.675165 6.792633       12.28352 
1 1 1 4   3  34 o 181.8691 4.693918 1625.873       83.49059 1626.295       101.6937 1625.000       146.2368 181.7005 5.724982 180.9942 8.276308 0.7062225      10.06343 
1 1 1 4   3  35 o 280.1957 5.594047 3866.221       153.4241 3876.030       216.5211 3856.330       217.4308 279.5783 7.920060 278.8413 7.974509 0.7370300      11.23922 
1 1 1 4   3  36 o 219.6469 5.328752 2377.030       114.5663 2386.541       140.3038 2358.000       198.4648 219.6233 6.533834 217.0706 9.362645 2.552673       11.41710 
1 1 1 4   3  37 o 145.5101 4.222799 1042.377       60.08142 1062.038       73.56699 1003.000       104.1134 146.6723 5.132141 141.8258 7.526669 4.846420       9.109863 
1 1 1 4   3  38 o 46.58102 5.024855 108.3098       22.54863 139.8267       30.37290 69.61005       33.65647 52.80695 5.981297 36.49030 9.373816 16.31665       11.11955 
1 1 1 4   3  39 o 110.5421 3.457930 601.4673       37.36935 616.9518       52.15834 585.1357       53.56626 111.6691 4.782904 108.6789 5.049271 2.990234       6.954949 
1 1 1 4   3  40 f 122.9619 3.547692 744.8832       42.65486 764.7167       60.15087 724.8210       60.49678 124.2023 4.957692 120.8608 5.125398 3.341492       7.130807 
1 1 1 4   3  41 o 39.86050 6.515609 81.42921       24.54421 77.13000       36.09906 85.12527       33.47121 38.04647 9.673422 40.17300 8.759486 -2.126530      13.05005 
1 1 1 4   3  42 o 41.73438 6.364897 89.10173       25.17951 71.44000       36.35537 105.3844       34.90717 36.53960 9.914507 44.88540 8.249063 -8.345795      12.89746 
1 1 1 4   3  43 o 65.77661 4.897775 216.1754       31.30750 202.9000       57.48289 221.7741       37.32994 61.86280 9.820767 66.35665 5.805759 -4.493851      11.40852 
1 1 1 4   3  44 o 88.52294 4.332996 389.4528       37.43078 390.4000       67.78696 389.0372       44.89593 87.04095 8.047484 88.17228 5.225413 -1.131332      9.595152 
1 1 1 4   3  45 o 40.89215 5.774167 85.45963       22.46946 82.85502       30.24446 88.66813       33.56800 39.51559 8.091903 40.70512 8.689545 -1.189537      11.87380 
1 1 1 4   3  46 o 64.54000 4.150375 207.7255       26.08041 185.9269       35.53589 233.1749       38.39652 60.39214 6.094768 67.79691 5.842917 -7.404770      8.443096 
1 1 1 4   3  47 o 32.89349 6.915797 57.33157       21.55909 53.86886       29.42761 61.34327       31.67455 31.45646 9.063969 33.42582 9.328058 -1.969353      13.00647 
1 1 1 4   3  48 o 13.76066 6.341275 -13.49598      19.78732 -15.85979      26.61731 -10.57583      29.58425 16.11661 7.400539 17.83112 8.035291 -1.714510      10.92400 
1 1 1 4   3  49 o 73.18021 4.166418 268.5800       29.72108 281.1594       37.20663 246.4000       49.40490 74.41807 5.139387 68.26474 7.518132 6.153328       9.106899 
1 1 1 4   3  50 o 20.37539 7.718517 17.33484       21.14252 18.95625       26.64768 14.58000       34.73455 21.99639 8.578255 22.93731 9.489609 -0.9409180     12.79215 
1 1 1 4   3  51 o 48.24823 5.586220 120.2699       25.89502 129.7225       30.14109 93.63000       50.59969 49.77278 6.329708 39.23463 12.03266 10.53814       13.59596 
1 1 1 4   3  52 o 65.89036 3.842830 217.9038       24.67688 202.3551       34.26592 234.6559       35.56720 62.58994 5.653994 67.57008 5.423108 -4.980141      7.834395 
1 1 1 4   3  53 o 22.55679 7.307323 26.81470       18.42363 -1.669246      26.06964 55.23449       26.04027 17.74651 7.794439 31.32575 8.343701 -13.57924      11.41800 
1 1 1 4   3  54 o 43.40599 4.892401 97.01669       20.42466 87.86903       28.47096 106.7163       29.31728 39.97672 7.552644 44.49460 6.959337 -4.517887      10.27009 
1 1 1 4   3  55 o 49.70431 4.505654 126.2505       21.68299 138.0839       30.61737 114.3442       30.71162 51.04113 6.259184 45.92443 7.057576 5.116699       9.433280 
1 1 1 4   3  56 o 39.93564 5.789796 84.22155       21.97310 84.44000       34.21392 84.06819       28.66625 37.98201 9.282596 38.80115 7.818279 -0.8191414     12.13639 
1 1 1 4   3  57 o 27.00255 7.118073 40.51794       19.07686 35.53165       27.33370 45.25339       26.63729 25.52788 8.904291 28.10816 8.749458 -2.580280      12.48357 
1 1 1 4   3  58 o 33.70849 7.551694 63.67636       24.29718 85.05000       48.11459 56.36015       28.15015 36.31195 11.81235 31.10256 8.834194 5.209385       14.75041 
1 1 1 4   3  59 o 54.04710 6.197438 155.3468       32.19379 155.3468       32.19379 0.000000       0.000000 54.04710 6.197438 ?        ?        ?              ?        
1 1 1 4   3  60 o 47.27515 4.840959 115.6070       22.08516 111.6406       31.03153 119.6783       31.43871 44.99080 7.296196 46.74750 7.093109 -1.756702      10.17579 
1 1 1 4   3  61 o 49.53844 5.075296 127.9039       24.26237 116.8909       30.86988 145.7000       39.24156 46.07382 7.070467 50.61411 8.201198 -4.540291      10.82826 
1 1 1 4   3  62 o 41.08555 6.571949 92.54646       25.53922 101.3608       29.47715 66.01000       51.14616 42.48648 7.354245 31.67716 12.00381 10.80932       14.07751 
1 1 1 4   4  0  o 363.7941 6.893347 6487.567       245.4664 6568.962       350.1850 6408.941       344.1768 365.6421 9.793239 361.1649 9.744663 4.477173       13.81543 
1 1 1 4   4  1  o 498.2848 9.313875 12187.55       454.2702 12566.13       656.6559 11840.07       629.0999 505.0197 13.29539 490.2453 13.12172 14.77438       18.68012 
1 1 1 4   4  2  o 333.9915 6.375632 5467.279       208.4322 5617.536       300.4679 5327.908       289.3799 338.1787 9.085299 329.3523 8.984778 8.826416       12.77767 
1 1 1 4   4  3  o 992.7906 18.49480 48857.97       1797.271 50687.59       2610.937 47210.26       2477.741 1004.116 26.58816 969.4740 26.13424 34.64246       37.28175 
1 1 1 4   4  4  o 160.2781 4.923782 1259.688       77.15495 1304.000       111.5162 1219.000       106.8599 162.9168 7.009435 157.5129 6.948038 5.403900       9.869519 
1 1 1 4   4  5  o 144.9770 3.221693 1029.156       45.71825 1025.736       64.74031 1032.558       64.57077 144.6287 4.578907 145.1110 4.551629 -0.4823456     6.456292 
1 1 1 4   4  6  o 159.5875 3.447529 1247.216       53.85340 1327.450       78.97066 1177.467       73.62991 164.5157 4.909513 154.9379 4.861028 9.577789       6.908901 
1 1 1 4   4  7  o 326.1990 6.245844 5218.814       199.4252 5273.720       284.3369 5165.656       279.7780 327.4341 8.879819 324.0691 8.828250 3.365051       12.52155 
1 1 1 4   4  8  o 439.0092 8.259402 9466.918       354.9184 9461.802       501.7755 9472.041       502.0855 437.9308 11.71623 438.1676 11.71713 -0.2367859     16.56989 
1 1 1 4   4  9  o 384.6506 7.282297 7259.646       274.1833 7499.000       559.6653 7184.058       314.5114 389.1463 14.71949 382.4819 8.400773 6.664429       16.94805 
1 1 1 4   4  10 o 251.9001 4.967899 3108.563       122.4919 3380.000       257.0711 3028.833       139.3252 262.0813 10.03956 248.6086 5.725418 13.47273       11.55739 
1 1 1 4   4  11 o 305.6818 5.897552 4578.210       176.4605 5202.000       384.0041 4411.226       198.6802 325.0454 12.09047 300.0029 6.765859 25.04245       13.85483 
1 1 1 4   4  12 o 499.8045 10.80433 12263.08       528.5720 13130.00       960.0685 11886.01       633.1737 515.1718 19.07192 491.5232 13.17238 23.64859       23.17865 
1 1 1 4   4  13 o 316.9079 7.040390 4920.856       218.3916 4773.000       369.0435 5000.541       270.9233 311.5263 12.12570 319.2513 8.677817 -7.724976      14.91097 
1 1 1 4   4  14 o 426.7387 8.041831 8925.666       335.9102 9244.000       686.6520 8825.516       385.1423 433.0042 16.22959 424.2346 9.274893 8.769592       18.69287 
1 1 1 4   4  15 o 259.8072 5.943087 3306.283       151.1366 3511.000       269.4803 3212.340       182.5495 267.3084 10.31869 255.9322 7.294451 11.37617       12.63663 
1 1 1 4   4  16 o 156.1380 4.084999 1194.453       62.37832 1166.988       73.98099 1262.000       116.0199 154.2934 4.904770 160.3007 7.414273 -6.007355      8.889781 
1 1 1 4   4  17 f 449.1183 9.769908 9896.524       429.4943 10190.92       536.8407 9373.000       715.8882 455.2949 12.05671 435.6949 16.81794 19.59998       20.69317 
1 1 1 4   4  18 o 122.5719 3.306942 736.0524       39.63938 700.5687       52.43621 783.3715       60.55286 119.5246 4.489939 126.3780 4.904357 -6.853394      6.649230 
1 1 1 4   4  19 o 311.3304 6.039563 4749.259       184.0489 5014.664       268.5933 4514.331       252.7019 319.6057 8.593473 303.2385 8.522142 16.36716       12.10267 
1 1 1 4   4  20 o 226.0404 4.630658 2502.640       102.4554 2506.721       143.6795 2498.418       146.1395 226.0433 6.500522 225.6579 6.623402 0.3853302      9.280422 
1 1 1 4   4  21 o 245.9024 7.068442 2968.249       169.9581 0.000000       0.000000 2968.249       169.9581 ?        ?        245.9024 7.068442 ?              ?        
1 1 1 4   4  22 o 247.3618 5.769592 2999.620       139.6960 3358.000       257.6958 2850.475       166.2422 261.0801 10.10294 240.9317 7.056824 20.14842       12.32348 
1 1 1 4   4  23 o 268.0128 6.151873 3523.218       161.3872 3653.000       284.5833 3461.693       195.9418 272.0948 10.70611 265.4092 7.549990 6.685547       13.10050 
1 1 1 4   4  24 o 206.5639 4.343276 2090.852       87.81690 2142.478       125.0358 2040.597       123.3648 208.8820 6.122036 203.8431 6.190027 5.038910       8.706077 
1 1 1 4   4  25 o 378.3055 8.354847 7039.389       309.3765 7015.000       533.0555 7051.777       379.9091 375.4890 14.53080 378.0183 10.27694 -2.529297      17.79774 
1 1 1 4   4  26 o 216.7025 5.209084 2303.268       110.4922 2336.000       190.9683 2286.797       135.4703 217.5908 8.985662 215.7103 6.423193 1.880478       11.04534 
1 1 1 4   4  27 o 175.0696 3.910879 1502.022       67.01798 1509.789       93.97272 1493.982       95.60381 175.3241 5.482618 174.3886 5.608104 0.9355469      7.842827 
1 1 1 4   4  28 o 226.0438 4.667927 2505.827       103.2816 2409.549       141.6567 2615.089       150.9061 221.3446 6.545449 230.5745 6.693436 -9.229950      9.361890 
1 1 1 4   4  29 f 128.4087 3.466143 808.5449       43.52610 824.9623       60.38780 790.7937       62.79303 129.5960 4.768618 126.8500 5.067451 2.746002       6.958360 
1 1 1 4   4  30 o 244.0417 4.972525 2922.582       118.7811 2906.377       166.4969 2939.378       169.5071 242.9447 7.008851 244.3026 7.096008 -1.357895      9.973831 
1 1 1 4   4  31 o 237.3129 6.866980 2774.072       159.3443 2774.072       159.3443 0.000000       0.000000 237.3129 6.866980 ?        ?        ?              ?        
1 1 1 4   4  32 o 240.8012 4.934610 2846.930       116.3102 2935.410       166.4192 2762.442       162.6214 244.0302 6.974278 236.7127 7.026368 7.317505       9.900021 
1 1 1 4   4  33 o 111.6852 3.931979 612.6498       42.91756 607.4483       51.22519 624.9000       78.61156 111.1223 4.720266 112.3362 7.186948 -1.213860      8.598438 
1 1 1 4   4  34 o 159.7237 3.792776 1251.683       59.29701 1179.530       80.02883 1339.515       88.29674 154.7813 5.290059 164.9213 5.477277 -10.13995      7.614807 
1 1 1 4   4  35 o 132.7967 4.075454 866.8286       52.91213 907.9840       64.78843 784.4000       91.69020 135.7892 4.882402 125.6627 7.488318 10.12644       8.939394 
1 1 1 4   4  36 o 62.70080 4.464801 194.3023       27.22266 184.4896       31.63554 222.3000       53.43688 60.95531 5.356640 66.32500 8.420645 -5.369682      9.980022 
1 1 1 4   4  37 o 116.8335 3.450420 670.9599       39.41570 710.7095       55.34388 630.0450       56.14927 120.0239 4.720016 112.9209 5.093107 7.102936       6.943939 
1 1 1 4   4  38 o 100.3645 3.465251 495.6314       33.99140 518.1255       47.20588 471.4091       48.98570 102.3882 4.722930 97.56220 5.147794 4.825981       6.986118 
1 1 1 4   4  39 o 58.28690 4.277579 168.3858       24.23483 159.3873       32.41463 179.7912       36.49320 56.36097 5.966132 59.80871 6.329570 -3.447742      8.698172 
1 1 1 4   4  40 o 108.9754 3.476365 585.1198       37.03431 595.9290       51.28917 573.3446       53.53160 109.6513 4.790211 107.4581 5.103970 2.193268       6.999759 
1 1 1 4   4  41 o 97.16924 3.494490 465.7344       33.18265 458.8517       45.24323 473.7467       48.81474 96.10837 4.824778 97.56631 5.129478 -1.457939      7.042019 
1 1 1 4   4  42 o 52.22689 5.216706 136.9441       26.31195 141.7000       39.46004 133.1367       35.30683 52.30143 7.958566 50.88751 7.296795 1.413918       10.79731 
1 1 1 4   4  43 o 86.81474 4.113218 373.7900       34.85335 378.0000       54.59408 370.8937       45.28190 86.46221 6.498343 86.06805 5.402222 0.3941574      8.450589 
1 1 1 4   4  44 o 29.09730 7.469671 44.67090       21.38147 37.01029       28.06323 55.27144       33.01186 27.18720 9.030411 32.25470 9.683563 -5.067499      13.24084 
1 1 1 4   4  45 o 64.25639 5.124684 207.4588       31.96529 250.4000       59.85268 190.3233       37.80893 68.84700 9.104582 61.07680 6.420175 7.770199       11.14056 
1 1 1 4   4  46 f 38.45827 6.270144 76.62495       22.79087 102.6318       31.00649 46.06110       33.61344 44.20719 7.428829 29.75853 9.883103 14.44866       12.36379 
1 1 1 4   4  47 o 36.62580 6.335220 70.04304       21.89034 44.00291       28.90647 105.0548       33.51817 28.75872 9.137129 44.33801 8.018285 -15.57929      12.15648 
1 1 1 4   4  48 f 56.48438 4.891492 161.6170       26.77801 165.1995       33.42743 155.2000       44.73750 56.57690 6.134142 53.37962 8.873713 3.197281       10.78752 
1 1 1 4   4  49 o 32.60328 6.806000 56.81735       21.01734 75.61005       29.12616 36.40126       30.35812 37.13436 8.229575 26.68890 9.378546 10.44546       12.47730 
1 1 1 4   4  50 o 51.99158 5.494761 138.9835       27.54070 130.9964       32.20956 160.7000       53.11103 49.85179 6.776067 52.79006 10.64627 -2.938267      12.61975 
1 1 1 4   4  51 o 27.73667 7.117213 41.80737       19.41722 28.75570       27.30967 55.15063       27.61305 24.31386 8.853913 31.38928 8.690727 -7.075420      12.40647 
1 1 1 4   4  52 o 66.97183 3.756632 224.8750       24.52747 233.5590       33.94709 215.3903       35.47768 67.54717 5.173773 64.56885 5.670946 2.978325       7.676428 
1 1 1 4   4  53 o 37.38309 5.562907 73.07940       19.73630 84.45422       27.51449 61.02381       28.32589 39.34585 7.416185 32.78317 8.688554 6.562683       11.42326 
1 1 1 4   4  54 o 23.83645 8.139193 30.00437       22.79301 56.53000       45.10683 20.90887       26.41330 31.24473 11.37869 22.06892 8.558971 9.175806       14.23835 
1 1 1 4   4  55 o 21.24728 7.284268 23.20795       18.26034 31.79005       24.87886 13.18540       26.88579 24.43264 8.496734 20.47170 8.396657 3.960945       11.94564 
1 1 1 4   4  56 o 29.30371 6.798663 47.16720       19.12284 35.81963       26.18810 60.12932       27.98920 25.58999 8.724636 32.28691 8.673018 -6.696922      12.30205 
1 1 1 4   4  57 o 64.92403 4.243103 214.1889       26.81692 235.2000       44.58975 202.2828       33.56575 66.03392 7.005356 62.27102 5.565468 3.762897       8.947036 
1 1 1 4   4  58 o 27.42426 7.672811 42.37622       21.40143 19.74000       33.07670 58.67669       28.06857 22.87883 9.340404 31.75546 8.750531 -8.876633      12.79902 
1 1 1 4   4  59 o 20.18423 8.020241 15.88744       23.68044 16.86000       46.18602 15.54059       27.58169 24.59317 10.59082 20.95952 8.539694 3.633654       13.60484 
1 1 1 4   4  60 o 25.35745 8.887282 35.39177       27.24900 35.39177       27.24900 0.000000       0.000000 25.35745 8.887282 ?        ?        ?              ?        
1 1 1 4   4  61 o 35.43656 7.372463 70.61312       24.73858 50.56301       28.62984 129.7000       49.14803 29.18961 9.068362 44.91970 11.21351 -15.73009      14.42144 
1 1 1 4   4  62 o 16.33051 6.788518 6.607734       17.89400 15.71455       25.12317 -2.768988      25.49276 20.20630 8.180565 16.97754 7.568952 3.228760       11.14498 
1 1 1 4   5  0  o 724.5065 13.47052 25875.97       955.2844 26421.60       1371.457 25361.77       1331.387 729.1445 19.23276 714.4612 19.05492 14.68323       27.07377 
1 1 1 4   5  1  o 812.5748 15.12820 32614.91       1203.253 33571.18       1737.248 31733.18       1668.166 820.1827 21.65834 797.5916 21.38674 22.59113       30.43807 
1 1 1 4   5  2  o 560.8082 10.48414 15463.71       575.5105 16122.31       838.5771 14877.32       791.2709 571.0516 15.01545 548.6426 14.74767 22.40894       21.04656 
1 1 1 4   5  3  o 518.4408 11.20265 13228.83       568.4944 13093.93       691.5544 13510.00       998.3907 514.8856 13.73401 520.5529 19.62945 -5.667236      23.95701 
1 1 1 4   5  4  o 332.7277 7.348701 5432.707       239.3347 5136.922       281.8671 6197.000       453.0927 323.2177 8.917810 354.0990 13.09498 -30.88126      15.84316 
1 1 1 4   5  5  o 278.0453 6.246756 3791.419       170.0107 4047.000       308.5010 3679.947       203.7403 286.4340 11.02395 273.6861 7.612726 12.74792       13.39706 
1 1 1 4   5  6  o 260.1861 5.095752 3317.955       129.7773 3243.813       181.0936 3396.230       186.0733 256.9776 7.206605 262.9462 7.236423 -5.968658      10.21278 
1 1 1 4   5  7  o 613.7681 11.45445 18566.76       688.1528 17968.16       950.8910 19225.01       997.1459 601.5013 16.16523 622.0706 16.39047 -20.56934      23.02091 
1 1 1 4   5  8  o 232.2037 4.622238 2641.615       105.0576 2563.000       204.8176 2669.683       122.3836 228.1873 9.188795 233.3921 5.357114 -5.204758      10.63638 
1 1 1 4   5  9  o 382.6221 7.247693 7180.749       271.4414 7184.000       541.0764 7179.656       313.7834 381.1801 14.52840 382.4514 8.381997 -1.271393      16.77297 
1 1 1 4   5  10 o 600.5785 11.18355 17727.87       657.4394 17960.00       1326.037 17652.21       757.0341 600.1879 22.61203 598.8734 12.91440 1.314575       26.04007 
1 1 1 4   5  11 o 435.9836 9.471374 9326.089       404.1935 9809.000       724.0764 9107.492       487.1602 445.6725 16.62740 430.4259 11.57341 15.24661       20.25869 
1 1 1 4   5  12 o 176.7459 4.350266 1529.584       75.26123 1604.000       131.4118 1493.262       91.80931 180.7622 7.443043 174.5309 5.380557 6.231277       9.184186 
1 1 1 4   5  13 o 52.95926 3.745751 137.9952       19.29193 161.1000       25.98106 109.6000       28.80238 57.16767 4.684052 46.86151 6.450144 10.30616       7.971493 
1 1 1 4   5  14 o 103.2876 3.396126 522.8267       34.28842 546.0000       55.51435 508.5335       43.59879 105.4497 5.396355 101.8177 4.384945 3.631973       6.953300 
1 1 1 4   5  15 o 363.5217 7.992239 6477.481       284.3839 6899.000       512.8563 6290.325       341.7348 374.3062 14.02268 357.9639 9.762239 16.34235       17.08616 
1 1 1 4   5  16 o 208.0676 4.964935 2120.098       101.1170 2141.920       123.1758 2075.000       177.0724 209.0182 6.026830 205.5164 8.822891 3.501831       10.68485 
1 1 1 4   5  17 o 327.7257 6.319343 5262.206       202.7163 5464.901       292.5678 5075.033       281.1418 333.6754 8.965816 321.5467 8.941223 12.12869       12.66220 
1 1 1 4   5  18 o 140.0166 4.930571 961.3591       67.46906 927.7000       89.79401 1005.000       102.2453 137.4246 6.695544 142.9988 7.329188 -5.574234      9.927100 
1 1 1 4   5  19 o 319.7422 6.179752 5010.042       193.4092 4919.551       268.9121 5107.014       278.3773 316.5223 8.687819 322.4839 8.827308 -5.961548      12.38546 
1 1 1 4   5  20 o 80.20876 5.222290 316.5349       40.77755 0.000000       0.000000 316.5349       40.77755 ?        ?        80.20876 5.222290 ?              ?        
1 1 1 4   5  21 o 295.1421 6.647105 4271.850       192.0304 4150.046       230.0186 4552.000       348.8406 290.6510 8.092968 303.7922 11.75342 -13.14117      14.27022 
1 1 1 4   5  22 o 157.4051 4.205023 1214.587       64.72980 1283.526       80.22643 1086.000       109.5683 161.7545 5.073320 148.5475 7.560381 13.20695       9.104830 
1 1 1 4   5  23 o 267.1827 6.135825 3501.763       160.4677 3288.940       188.0432 4072.000       307.8049 258.6924 7.433926 287.1925 10.96972 -28.50006      13.25134 
1 1 1 4   5  24 o 412.3846 9.056039 8369.283       365.5500 8185.380       440.6778 8775.000       654.5442 407.1270 11.06848 419.5360 15.96824 -12.40897      19.42926 
1 1 1 4   5  25 o 226.8735 4.648484 2523.110       103.2289 2553.325       119.8011 2436.000       203.4185 228.1676 5.364147 222.1870 9.374381 5.980652       10.80061 
1 1 1 4   5  26 o 184.1202 5.688358 1665.125       102.3937 1629.000       141.3607 1705.000       148.5174 181.7947 7.963356 185.9593 8.179317 -4.164566      11.41562 
1 1 1 4   5  27 o 235.5586 6.811511 2729.211       156.8889 2771.000       222.6521 2688.000       221.1049 236.7732 9.627081 233.1748 9.708713 3.598389       13.67259 
1 1 1 4   5  28 o 139.5213 5.016061 956.2233       68.39149 934.1000       94.00596 981.1000       99.68396 137.6543 6.999831 141.0480 7.244518 -3.393738      10.07376 
1 1 1 4   5  29 o 115.5041 3.392935 654.2687       38.31848 631.1428       51.42136 683.1464       57.46135 113.3404 4.644873 117.8908 4.990835 -4.550438      6.817864 
1 1 1 4   5  30 o 257.0650 5.181187 3243.791       130.3702 3339.608       186.6011 3152.422       182.2197 260.3463 7.329748 252.9301 7.368037 7.416199       10.39294 
1 1 1 4   5  31 o 218.1783 5.264773 2337.696       112.4340 2316.176       136.0764 2384.000       199.6007 216.8984 6.416494 219.3386 9.318190 -2.440140      11.31371 
1 1 1 4   5  32 o 233.4179 6.784834 2685.293       154.8526 2685.293       154.8526 0.000000       0.000000 233.4179 6.784834 ?        ?        ?              ?        
1 1 1 4   5  33 o 215.6443 4.548502 2283.205       96.00913 2310.675       135.3046 2255.347       136.2553 216.5077 6.391584 213.8675 6.516423 2.640198       9.127767 
1 1 1 4   5  34 o 97.06651 3.923830 463.1447       37.20401 460.9766       43.75822 468.8000       70.67210 96.75526 4.633862 97.10310 7.493403 -0.3478470     8.810435 
1 1 1 4   5  35 o 155.0404 4.304320 1182.001       65.25822 1188.468       78.90295 1168.000       116.0972 155.2970 5.198001 153.3082 7.761858 1.988831       9.341609 
1 1 1 4   5  36 o 84.55234 3.464766 351.5336       28.61440 368.0966       38.82133 331.8310       42.34114 86.37183 4.608581 81.88142 5.311545 4.490410       7.032177 
1 1 1 4   5  37 o 155.1879 3.769153 1183.770       57.25428 1224.535       81.13238 1143.330       80.80814 157.4274 5.272554 152.0659 5.437719 5.361450       7.574207 
1 1 1 4   5  38 o 79.95810 3.603870 314.9896       28.13327 328.5341       38.52376 299.5114       41.18203 81.44581 4.854321 77.62896 5.454448 3.816849       7.301743 
1 1 1 4   5  39 o 156.0114 3.791037 1198.345       57.89227 1236.145       81.94899 1160.688       81.79528 157.9158 5.309210 152.9540 5.472195 4.961746       7.624475 
1 1 1 4   5  40 o 86.06227 3.622879 365.4570       30.45091 372.1654       41.41092 357.5591       44.93252 86.55962 4.907680 84.69340 5.448983 1.866219       7.333262 
1 1 1 4   5  41 o 32.54934 6.943127 55.13548       21.44590 52.37099       28.12994 58.97251       33.14046 31.56073 8.784376 33.43279 9.614264 -1.872059      13.02303 
1 1 1 4   5  42 o 26.66635 7.627355 36.97120       20.91194 49.86709       27.41072 19.01319       32.34623 30.77011 8.709857 23.95582 9.418902 6.814291       12.82877 
1 1 1 4   5  43 o 21.14375 8.002785 17.22099       22.71715 16.59000       31.64097 17.89228       32.63594 23.25364 9.260695 23.74442 9.421716 -0.4907818     13.21095 
1 1 1 4   5  44 f 90.09356 4.146946 403.0259       36.47221 461.7000       59.12973 366.9937       46.33705 95.54212 6.358924 85.46861 5.569128 10.07352       8.452875 
1 1 1 4   5  45 o 93.31640 3.641226 431.3155       33.19537 448.2662       45.41141 411.8640       48.64602 94.67564 4.917125 90.48809 5.518482 4.187553       7.391331 
1 1 1 4   5  46 o 73.24473 4.836775 269.2597       34.48265 297.2000       61.06437 256.1789       41.78193 75.13509 8.449357 70.92850 6.076622 4.206596       10.40754 
1 1 1 4   5  47 o 68.73842 4.389512 236.7966       29.37966 229.1807       35.91568 252.2000       51.07789 67.16927 5.511120 69.35452 7.651060 -2.185249      9.429272 
1 1 1 4   5  48 o 68.23203 3.939961 232.7999       26.20207 226.9842       35.04389 240.1732       39.45830 66.74981 5.409924 68.39485 5.953237 -1.645042      8.044147 
1 1 1 4   5  49 o 94.04088 5.468583 450.6480       50.12103 498.3000       70.69907 402.5000       71.06603 97.26442 7.483468 86.48511 8.504778 10.77931       11.32844 
1 1 1 4   5  50 o 48.16199 4.716212 117.9579       21.94861 137.0101       30.03975 96.13853       32.14738 51.32478 6.098570 41.92066 8.127933 9.404125       10.16149 
1 1 1 4   5  51 o 62.79233 3.822619 197.6737       23.38360 226.9098       33.04689 168.3579       33.09196 66.69001 5.101202 56.92451 6.030665 9.765495       7.898809 
1 1 1 4   5  52 f 51.32563 4.343579 133.4961       21.61699 168.5204       30.74041 99.23320       30.40444 57.11096 5.569695 42.73000 7.545188 14.38095       9.378239 
1 1 1 4   5  53 o 69.58247 5.400476 249.3058       36.49447 0.000000       0.000000 249.3058       36.49447 ?        ?        69.58247 5.400476 ?              ?        
1 1 1 4   5  54 o 37.34958 5.501101 73.15063       19.50969 75.17712       26.79991 70.86592       28.45626 36.79191 7.689785 35.34425 8.357606 1.447659       11.35704 
1 1 1 4   5  55 o 72.33312 3.626823 262.8900       25.59659 271.9177       35.63542 253.2677       36.79028 72.70361 5.038657 69.89017 5.420213 2.813446       7.400457 
1 1 1 4   5  56 o 16.43775 6.790911 6.397099       17.75321 24.80283       24.91367 -12.59071      25.30455 22.62674 8.418923 15.76551 7.230583 6.861226       11.09773 
1 1 1 4   5  57 o 18.78325 7.171624 14.98222       18.34177 15.94492       25.50517 13.95109       26.39612 20.66127 8.285406 20.45008 8.345842 0.2111835      11.76015 
1 1 1 4   5  58 o 38.95557 6.120867 81.16499       22.57054 106.7000       35.83303 64.37093       29.05985 43.00975 8.808205 33.22033 8.798533 9.789421       12.44985 
1 1 1 4   5  59 f 44.10760 6.297574 104.3712       26.41794 140.4000       37.30328 68.12000       37.41821 50.13497 7.859644 33.25995 10.37261 16.87502       13.01403 
1 1 1 4   5  60 o 38.17410 12.33451 98.00000       52.51385 98.00000       52.51385 0.000000       0.000000 38.17410 12.33451 ?        ?        ?              ?        
1 1 1 4   5  61 o 20.94289 8.099085 19.85201       23.60049 71.59000       49.72507 4.808581       26.81292 32.98422 11.95648 18.66326 8.053559 14.32096       14.41587 
1 1 1 4   5  62 o 30.11038 6.738229 50.76947       19.36274 59.08103       27.09472 42.09446       27.68079 31.46479 8.568148 26.72314 8.970568 4.741652       12.40501 
1 1 1 4   6  0  o 489.1173 9.166669 11758.21       438.8648 11997.78       630.0083 11532.36       611.6938 492.8318 13.07148 483.2147 12.94431 9.617096       18.39617 
1 1 1 4   6  1  o 298.0108 6.644691 4356.376       193.8264 4236.708       233.3036 4623.000       348.2420 293.6132 8.125638 306.0608 11.64556 -12.44754      14.20018 
1 1 1 4   6  2  o 353.0642 6.720237 6115.131       232.2440 6227.140       333.0619 6009.127       324.0104 355.7259 9.574105 349.4574 9.481124 6.268494       13.47424 
1 1 1 4   6  3  o 150.4487 3.322861 1108.432       48.93356 1076.372       68.24570 1142.355       70.20072 148.1382 4.712539 152.6161 4.704939 -4.477936      6.659165 
1 1 1 4   6  4  f 292.4987 8.052739 4205.330       230.3353 4529.000       342.4765 3938.000       311.2451 302.8696 11.57361 282.4510 11.28048 20.41858       16.16161 
1 1 1 4   6  5  o 255.2975 5.021457 3194.265       125.4823 3050.883       172.1798 3356.685       183.2551 249.2337 7.064925 261.4225 7.168313 -12.18877      10.06468 
1 1 1 4   6  6  o 231.8797 4.632929 2634.482       105.1537 2539.885       145.1070 2739.093       152.5950 227.4588 6.524217 236.2085 6.606408 -8.749680      9.284935 
1 1 1 4   6  7  o 342.7966 6.536604 5762.841       219.3284 5234.000       409.9395 5974.937       259.6108 325.4817 12.89280 348.9223 7.601299 -23.44058      14.96676 
1 1 1 4   6  8  o 245.6937 4.851286 2957.241       116.6695 2724.000       220.1834 3048.291       137.5695 235.2816 9.580756 249.4051 5.635218 -14.12343      11.11515 
1 1 1 4   6  9  o 504.4347 9.429188 12491.34       465.5705 12000.00       903.7175 12668.86       543.2014 491.8460 18.80607 507.7412 10.92980 -15.89514      21.75153 
1 1 1 4   6  10 o 68.52054 2.870374 230.2399       19.20890 210.1000       30.19588 243.9302       24.89583 65.32664 4.754827 70.49242 3.620222 -5.165779      5.976152 
1 1 1 4   6  11 f 553.0510 11.91265 15021.92       644.8812 15710.00       1151.792 14707.72       778.3116 563.1519 20.93142 546.5751 14.56077 16.57678       25.49785 
1 1 1 4   6  12 o 402.9031 7.613923 7955.313       300.2723 8218.000       611.9480 7872.008       344.6105 408.3861 15.33591 400.6994 8.786253 7.686768       17.67451 
1 1 1 4   6  13 o 414.5407 7.821557 8422.133       317.3705 8562.000       639.7348 8376.472       365.5217 416.7892 15.70924 413.3182 9.034882 3.471008       18.12207 
1 1 1 4   6  14 f 313.0453 6.960382 4801.661       213.2782 5043.000       380.0519 4690.718       257.6779 320.2107 12.14756 309.2020 8.522031 11.00873       14.83874 
1 1 1 4   6  15 o 101.5583 3.496404 505.5365       34.70522 544.9000       55.34564 480.0285       44.55281 105.3412 5.385456 98.90290 4.614864 6.438332       7.092257 
1 1 1 4   6  16 o 263.7144 6.065573 3406.944       156.5712 3499.000       270.7153 3360.673       191.9280 266.8037 10.38592 261.7437 7.499010 5.060059       12.81025 
1 1 1 4   6  17 o 137.6637 3.434205 927.8137       46.27559 991.0732       63.02967 853.8416       68.15788 142.1895 4.534472 131.9260 5.288843 10.26358       6.966585 
1 1 1 4   6  18 o 364.6300 8.044487 6520.363       287.1157 6656.000       356.0079 6268.000       485.6063 368.0787 9.890232 356.5057 13.94280 11.57300       17.09439 
1 1 1 4   6  19 o 601.4409 11.22197 17785.97       660.6451 17856.13       764.9426 17580.00       1310.578 602.1558 12.97818 593.3571 22.60663 8.798706       26.06708 
1 1 1 4   6  20 o 215.4425 5.110519 2274.163       107.7712 2274.163       107.7712 0.000000       0.000000 215.4425 5.110519 ?        ?        ?              ?        
1 1 1 4   6  21 o 125.1084 3.265926 766.9564       39.96020 754.4676       44.88331 814.7000       87.75735 124.0637 3.700152 128.6792 6.993659 -4.615517      7.912167 
1 1 1 4   6  22 o 366.1430 8.090325 6585.286       289.9499 6585.286       289.9499 0.000000       0.000000 366.1430 8.090325 ?        ?        ?              ?        
1 1 1 4   6  23 o 278.9835 7.776521 3826.881       212.1516 3826.881       212.1516 0.000000       0.000000 278.9835 7.776521 ?        ?        ?              ?        
1 1 1 4   6  24 o 282.0251 6.412931 3903.940       177.0315 3801.580       212.5183 4136.000       319.9865 278.0005 7.817645 289.1903 11.32615 -11.18979      13.76217 
1 1 1 4   6  25 o 121.6563 3.796253 725.8533       45.15066 708.7539       53.47723 768.3000       84.25587 120.1579 4.555096 124.8732 6.920323 -4.715340      8.284913 
1 1 1 4   6  26 o 121.4152 4.543713 723.7501       53.90430 723.7501       53.90430 0.000000       0.000000 121.4152 4.543713 ?        ?        ?              ?        
1 1 1 4   6  27 o 152.6534 4.154098 1143.131       62.01338 1097.214       73.46022 1257.000       115.6825 149.4723 5.028101 159.6887 7.421239 -10.21646      8.964184 
1 1 1 4   6  28 o 330.3452 7.397287 5369.646       239.1920 5463.938       295.9399 5192.000       406.2046 332.6556 9.097256 322.8384 12.88030 9.817230       15.76903 
1 1 1 4   6  29 o 225.1765 5.385169 2489.071       118.6940 2591.125       148.2732 2307.000       198.0471 229.4773 6.607988 215.9207 9.393088 13.55664       11.48458 
1 1 1 4   6  30 o 88.86325 3.796843 387.8153       32.94950 387.8153       32.94950 0.000000       0.000000 88.86325 3.796843 ?        ?        ?              ?        
1 1 1 4   6  31 o 188.4815 5.781338 1747.668       106.5343 1747.668       106.5343 0.000000       0.000000 188.4815 5.781338 ?        ?        ?              ?        
1 1 1 4   6  32 o 172.6656 4.534205 1464.365       76.56625 1416.321       91.09393 1580.000       141.3233 169.6646 5.492431 178.6676 8.102020 -9.002975      9.788234 
1 1 1 4   6  33 o 205.9607 6.175998 2090.733       124.3675 2090.733       124.3675 0.000000       0.000000 205.9607 6.175998 ?        ?        ?              ?        
1 1 1 4   6  34 o 88.08073 3.963023 381.5824       34.08004 397.5823       40.10421 340.0000       64.65250 89.83949 4.575612 82.45709 8.115397 7.382401       9.316432 
1 1 1 4   6  35 o 31.68368 6.734691 51.48131       20.24206 39.00673       25.84492 71.27595       32.55636 27.98382 8.602743 37.09744 9.047955 -9.113625      12.48490 
1 1 1 4   6  36 o 97.01381 3.424637 462.6325       32.46928 512.5094       45.18723 409.3911       46.68644 101.9529 4.539419 90.97505 5.265284 10.97784       6.951945 
1 1 1 4   6  37 o 121.6063 3.469200 727.1230       41.25223 784.4421       58.41050 670.0818       58.26867 126.0620 4.742152 116.4118 5.126229 9.650177       6.983282 
1 1 1 4   6  38 o 77.01022 3.627861 292.3234       27.26984 335.2899       37.56523 244.4557       39.64991 82.30141 4.682395 69.99314 5.840548 12.30827       7.485775 
1 1 1 4   6  39 o 74.32397 3.750279 272.6782       27.19525 308.8398       37.32408 231.7537       39.70613 78.89158 4.856941 68.02801 6.025226 10.86357       7.739071 
1 1 1 4   6  40 o 120.9000 3.538244 720.5510       41.82661 761.1385       58.93686 679.3661       59.36905 123.8663 4.870516 116.9015 5.201427 6.964745       7.125782 
1 1 1 4   6  41 o 99.47939 3.528752 488.3445       34.30615 487.3734       46.65807 489.4874       50.61567 99.02699 4.828118 99.10946 5.236092 -0.8246613E-01 7.122315 
1 1 1 4   6  42 o 79.97507 3.665576 316.3175       28.61849 323.1427       38.65188 308.0355       42.57766 80.50044 4.928935 78.38242 5.586151 2.118019       7.449798 
1 1 1 4   6  43 o 66.88058 4.012064 222.0918       26.14405 226.7079       34.40790 215.7864       40.21386 67.23033 5.270724 65.21416 6.381397 2.016174       8.276640 
1 1 1 4   6  44 o 60.73970 4.189546 183.7539       24.75580 227.2325       32.87088 126.7751       37.62965 67.33203 5.023714 49.15431 8.103110 18.17772       9.534050 
1 1 1 4   6  45 o 31.48911 7.670062 52.75483       23.41881 70.68000       32.14577 32.48120       34.18677 36.13083 9.096762 26.85355 9.885546 9.277285       13.43410 
1 1 1 4   6  46 o 37.99420 7.451253 76.52725       26.72041 89.55000       33.37061 53.26000       44.60518 40.71375 8.641344 32.14729 11.36203 8.566452       14.27476 
1 1 1 4   6  47 o 74.29057 4.859898 278.0293       35.14601 309.8000       61.27215 262.4502       42.90640 76.42524 8.325098 71.54262 6.187814 4.882622       10.37286 
1 1 1 4   6  48 o 79.00427 5.950197 320.1365       45.67564 379.5000       62.58868 252.5000       66.80776 84.85390 7.616542 66.96972 10.53950 17.88418       13.00357 
1 1 1 4   6  49 o 91.33985 3.505248 415.4149       31.28085 412.6734       42.37210 418.6988       46.37384 90.36200 4.807884 90.75159 5.242824 -0.3895874     7.113575 
1 1 1 4   6  50 f 61.53114 3.959926 190.0343       23.72337 175.6289       31.88574 207.8957       35.50517 58.39586 5.648830 63.50406 5.775045 -5.108192      8.078393 
1 1 1 4   6  51 o 24.39668 7.230476 32.03062       18.49721 36.19099       25.62918 27.50751       26.72310 26.01850 8.629508 23.89305 8.749310 2.125448       12.28897 
1 1 1 4   6  52 o 38.54362 6.039006 78.29331       22.03599 71.18000       34.18419 83.35078       28.82410 35.05272 9.656002 38.91695 7.838123 -3.864231      12.43682 
1 1 1 4   6  53 o 30.13973 6.498599 49.05964       18.60709 31.50601       25.73268 68.29539       26.93744 24.61512 8.635759 34.97083 8.038035 -10.35570      11.79773 
1 1 1 4   6  54 o 51.11871 4.259456 132.8521       21.11929 100.5096       28.52336 172.0991       31.42079 43.05612 7.008840 57.44661 5.661370 -14.39048      9.009714 
1 1 1 4   6  55 o 45.16032 4.685913 104.8615       20.41297 117.7059       28.02546 90.34665       29.79206 47.04447 6.239805 40.21240 7.850748 6.832069       10.02843 
1 1 1 4   6  56 o 52.21791 4.245420 138.7536       21.51229 143.6958       30.10114 133.5943       30.75535 52.18370 6.002257 50.03733 6.427717 2.146366       8.794466 
1 1 1 4   6  57 o 39.87367 5.125730 82.87514       19.54324 70.24647       26.35966 98.29053       29.12314 35.29162 7.834972 42.25538 7.305467 -6.963760      10.71245 
1 1 1 4   6  58 o 34.61782 6.569738 65.22531       21.44739 74.56420       26.49663 47.48000       36.52454 36.45688 7.668591 28.71499 10.26778 7.741890       12.81540 
1 1 1 4   6  59 o 51.11594 5.274460 136.2969       26.01156 131.4601       30.09000 150.6000       51.74325 49.52526 6.353260 49.09358 11.03672 0.4316788      12.73472 
1 1 1 4   6  60 o 23.76134 7.669584 31.16912       20.30698 36.36000       30.44948 27.01102       27.25254 25.76173 9.353765 23.28217 8.775732 2.479561       12.82600 
1 1 1 4   6  61 o 40.62050 9.014977 97.96000       34.90770 97.96000       34.90770 0.000000       0.000000 40.62050 9.014977 ?        ?        ?              ?        
1 1 1 4   6  62 o 22.40031 8.198833 26.35135       23.46200 37.67000       49.83872 23.12883       26.59301 27.18091 11.31665 22.04272 8.577083 5.138189       14.19975 
1 1 1 4   7  0  o 303.3880 5.846155 4513.412       173.6101 4517.994       245.9794 4508.863       245.0667 303.1358 8.297820 302.8328 8.275274 0.3029785      11.71896 
1 1 1 4   7  1  o 490.9089 9.215227 11850.37       442.8056 12336.46       643.9847 11414.45       609.8520 499.4755 13.18363 480.5117 12.97813 18.96384       18.49973 
1 1 1 4   7  2  o 325.1619 6.232312 5185.676       198.3604 5494.811       291.5751 4919.337       270.6411 334.2216 8.920686 316.2537 8.751242 17.96786       12.49651 
1 1 1 4   7  3  o 408.7726 7.722031 8204.294       308.9723 8408.807       444.1185 8012.467       430.1232 413.0099 10.99560 403.1749 10.90919 9.834961       15.48914 
1 1 1 4   7  4  o 296.8953 5.740298 4321.546       166.8184 4481.265       241.5011 4175.792       230.7028 301.9520 8.178529 291.4840 8.093801 10.46799       11.50643 
1 1 1 4   7  5  o 183.9654 4.422471 1657.928       79.63563 1658.000       136.8908 1657.892       97.90816 183.6380 7.632260 183.8375 5.447005 -0.1994934     9.376634 
1 1 1 4   7  6  o 254.5203 5.000552 3174.003       124.5795 2996.000       239.1287 3240.312       145.9505 246.6783 9.923889 257.1155 5.799241 -10.43727      11.49412 
1 1 1 4   7  7  f 233.8825 4.658497 2679.383       106.6473 2468.000       201.1042 2762.088       125.7923 224.0102 9.191164 237.4301 5.412676 -13.41985      10.66652 
1 1 1 4   7  8  o 192.5777 3.985693 1815.994       75.13046 1666.000       141.2588 1875.161       88.71966 184.1487 7.854878 195.6719 4.632178 -11.52319      9.119001 
1 1 1 4   7  9  o 790.6382 16.98499 30840.84       1314.466 28050.00       2123.929 32573.37       1673.451 747.7330 29.07473 810.5112 21.11143 -62.77820      35.93094 
1 1 1 4   7  10 o 230.1938 5.306908 2595.167       119.5753 2452.000       198.2997 2676.969       149.8927 223.4208 9.086558 233.6589 6.560273 -10.23816      11.20726 
1 1 1 4   7  11 o 588.7237 10.95568 17009.99       631.3308 16020.00       1208.501 17381.57       740.3941 568.6208 21.75303 594.8334 12.71632 -26.21259      25.19721 
1 1 1 4   7  12 o 351.8608 7.731802 6067.587       266.2918 6052.000       459.0090 6075.495       326.9338 350.6734 13.39713 351.8392 9.501828 -1.165771      16.42461 
1 1 1 4   7  13 o 211.7813 4.991982 2196.382       103.4825 2425.000       187.8952 2096.846       123.9797 222.2314 8.654366 206.8052 6.131441 15.42616       10.60625 
1 1 1 4   7  14 o 175.9872 4.378079 1516.505       75.41730 1548.000       128.4194 1499.924       93.17812 177.5735 7.404573 174.9151 5.448920 2.658432       9.193391 
1 1 1 4   7  15 o 380.7959 7.259809 7106.472       270.5975 7354.000       548.5350 7026.862       311.0838 386.3105 14.53238 378.5699 8.395086 7.740601       16.78295 
1 1 1 4   7  16 o 583.6003 12.57456 16742.04       718.3143 17003.75       889.0574 16250.00       1219.030 587.2840 15.47940 572.0585 21.81042 15.22552       26.74521 
1 1 1 4   7  17 o 309.7757 8.549376 4710.431       258.9837 4932.000       376.2850 4511.000       356.9926 316.5080 12.16846 302.6917 12.07326 13.81628       17.14162 
1 1 1 4   7  18 o 463.1559 8.700529 10526.22       394.4383 10607.88       457.5620 10290.00       778.2389 464.7437 10.05843 455.7935 17.47608 8.950195       20.16396 
1 1 1 4   7  19 o 401.7827 7.619330 7919.033       299.6500 7932.122       346.2674 7880.000       597.9479 401.9581 8.800849 399.0891 15.33544 2.869049       17.68136 
1 1 1 4   7  20 o 283.4992 5.555716 3939.083       154.1693 4072.576       181.2663 3590.000       293.1234 288.1941 6.425776 269.8472 11.12137 18.34692       12.84427 
1 1 1 4   7  21 o 351.7453 6.736392 6069.741       231.9327 6184.853       270.9323 5754.000       448.7111 354.9210 7.798712 340.9991 13.46984 13.92191       15.56459 
1 1 1 4   7  22 o 277.4986 5.455275 3775.520       148.1780 3816.441       171.8655 3657.000       292.4881 278.9156 6.295203 272.1442 11.00270 6.771362       12.67631 
1 1 1 4   7  23 o 389.5982 7.410745 7456.167       282.6084 7531.285       328.2538 7241.000       555.5515 391.3123 8.569985 381.5204 14.90516 9.791870       17.19327 
1 1 1 4   7  24 o 103.7321 3.142630 527.4898       31.87217 511.1959       35.46529 595.9000       72.66935 102.0922 3.554410 109.9519 6.785208 -7.859657      7.659822 
1 1 1 4   7  25 o 260.8038 5.187260 3336.210       132.4214 3355.386       153.0134 3279.000       264.2922 261.4584 5.978891 257.4784 10.50875 3.980072       12.09053 
1 1 1 4   7  26 o 126.6621 3.855131 786.9350       47.74041 749.1487       55.83903 889.6000       92.04111 123.5190 4.626646 134.3484 7.023507 -10.82942      8.410439 
1 1 1 4   7  27 o 170.3071 4.437694 1423.132       73.91390 1446.583       90.13888 1375.000       129.1381 171.6046 5.372947 166.9338 7.925858 4.670792       9.575374 
1 1 1 4   7  28 o 196.3413 4.197762 1890.046       80.67439 1871.684       92.02694 1951.000       167.6702 195.3306 4.813251 198.7278 8.640326 -3.397263      9.890532 
1 1 1 4   7  29 o 132.7579 4.851515 865.9227       62.93802 865.9227       62.93802 0.000000       0.000000 132.7579 4.851515 ?        ?        ?              ?        
1 1 1 4   7  30 o 56.12841 6.001081 156.5899       32.45895 156.5899       32.45895 0.000000       0.000000 56.12841 6.001081 ?        ?        ?              ?        
1 1 1 4   7  31 o 190.2363 4.150505 1775.165       77.28596 1759.431       88.23927 1827.000       160.1614 189.2643 4.766864 192.1145 8.538428 -2.850235      9.778944 
1 1 1 4   7  32 o 147.3173 4.179688 1065.769       60.20945 1100.532       73.22410 993.2000       105.7962 149.5927 5.007836 141.6344 7.659739 7.958298       9.151504 
1 1 1 4   7  33 o 242.4424 5.711051 2892.640       135.5286 2823.462       162.4557 3051.000       245.7958 239.1113 6.948473 247.3148 10.17529 -8.203445      12.32143 
1 1 1 4   7  34 o 69.54308 4.810054 238.9027       32.54063 238.9027       32.54063 0.000000       0.000000 69.54308 4.810054 ?        ?        ?              ?        
1 1 1 4   7  35 o 90.58733 3.883660 403.7840       34.35619 416.8971       40.46159 369.9000       65.04115 91.96438 4.508612 85.97829 7.813723 5.986092       9.021188 
1 1 1 4   7  36 o 212.2626 4.507171 2217.785       93.64482 2367.022       136.0461 2083.409       129.0947 218.5767 6.365595 205.0230 6.440783 13.55370       9.055633 
1 1 1 4   7  37 o 98.31429 3.390325 475.4439       32.57721 497.7241       44.33924 449.3075       48.02321 100.3998 4.523410 95.25018 5.170236 5.149635       6.869686 
1 1 1 4   7  38 o 100.7173 3.922383 500.2187       38.59483 445.8000       58.58895 541.9354       51.29756 94.48129 6.372526 104.5916 5.025350 -10.11030      8.115616 
1 1 1 4   7  39 o 139.4245 3.626600 957.7243       49.45114 1006.557       69.81536 908.5574       70.05419 142.5109 5.012722 135.2864 5.300478 7.224472       7.295372 
1 1 1 4   7  40 f 82.69395 3.612772 337.6177       29.17233 356.3852       39.23760 314.4221       43.62158 84.70035 4.751775 79.29195 5.657556 5.408401       7.388323 
1 1 1 4   7  41 f 112.6849 3.517101 626.5345       38.74581 671.7075       53.95802 578.4464       55.67187 116.2961 4.750068 107.7138 5.296537 8.582245       7.114524 
1 1 1 4   7  42 o 55.91827 4.431709 155.9010       24.05844 148.4862       31.51106 166.2641       37.25269 54.13414 6.050166 57.07477 6.801867 -2.940628      9.103291 
1 1 1 4   7  43 o 60.17860 4.234035 180.3000       24.78118 189.5931       32.39661 167.1938       38.47340 61.38369 5.448422 57.08992 7.033373 4.293762       8.896833 
1 1 1 4   7  44 o 36.64039 6.101263 69.22749       21.11282 67.74245       26.79028 71.66148       34.29769 35.72388 7.873958 36.35226 9.525843 -0.6283798     12.35884 
1 1 1 4   7  45 f 20.98195 7.810027 18.23533       21.44430 16.95748       24.76085 22.07000       42.89330 21.48052 8.298808 26.47588 10.69979 -4.995359      13.54089 
1 1 1 4   7  46 f 71.65588 4.306376 256.6837       30.06501 232.5000       43.11486 279.5737       41.94592 67.21687 6.639666 74.16319 5.824950 -6.946312      8.832622 
1 1 1 4   7  47 o 40.57878 7.642684 88.10079       29.24304 85.84000       33.90366 94.67000       57.79257 39.47178 8.978397 40.00090 12.94084 -0.5291176     15.75046 
1 1 1 4   7  48 o 59.99677 4.100210 180.5933       23.93437 183.2820       31.09387 176.6837       37.49406 59.93390 5.356656 58.17734 6.706795 1.756557       8.583406 
1 1 1 4   7  49 o 27.49322 8.528565 41.09397       25.33352 15.09000       44.09155 53.90923       30.95275 24.94560 10.53134 31.04717 9.389035 -6.101568      14.10897 
1 1 1 4   7  50 o 60.97632 3.929153 186.6250       23.32644 175.4076       31.44443 200.3526       34.78510 58.37985 5.570126 62.31572 5.768272 -3.935871      8.018682 
1 1 1 4   7  51 o 35.08451 6.385421 65.48611       21.12102 50.17000       32.11921 77.15466       28.03490 29.90271 9.645107 37.44705 7.897473 -7.544338      12.46588 
1 1 1 4   7  52 o 19.21684 7.026894 16.82403       17.22779 23.41659       23.35145 8.949973       25.52032 22.23317 8.172595 19.47179 8.101760 2.761375       11.50782 
1 1 1 4   7  53 o 29.15018 6.473257 46.00061       17.98914 59.94358       24.24585 28.92575       26.83109 32.84118 7.680285 24.05350 8.773426 8.787674       11.66018 
1 1 1 4   7  54 o 19.51847 7.053387 18.12581       17.28754 6.036589       22.80210 34.46840       26.51163 17.98738 7.582517 25.29029 8.772472 -7.302906      11.59529 
1 1 1 4   7  55 o 15.44355 6.560998 2.807153       17.29383 17.33198       23.17117 -15.45839      25.98417 20.49302 7.997076 15.62014 7.222529 4.872876       10.77581 
1 1 1 4   7  56 o 16.96781 6.732821 9.976458       16.66607 10.36268       21.93631 9.449156       25.63152 18.58388 7.599070 19.38277 8.096264 -0.7988987     11.10384 
1 1 1 4   7  57 o 17.79783 7.099943 11.03047       18.62938 20.49989       23.03310 -6.882000      31.67878 21.17510 8.048152 18.44028 8.311883 2.734819       11.56979 
1 1 1 4   7  58 o 25.24808 7.942502 35.57582       21.89098 51.25045       24.82583 -19.21000      46.41298 29.88287 8.227604 20.71016 9.602816 9.172703       12.64546 
1 1 1 4   7  59 o 79.61457 3.637338 319.2513       28.27050 303.1587       38.63059 337.8080       41.48266 76.46746 5.191964 80.65530 5.283543 -4.187843      7.407586 
1 1 1 4   7  60 o 23.29947 7.295930 29.99197       18.49298 48.63588       25.79628 10.27985       26.52499 28.87516 8.533848 19.61354 8.217456 9.261623       11.84707 
1 1 1 4   7  61 o 30.59297 7.186224 52.89912       21.15097 72.25000       32.67598 38.94444       27.74842 34.40437 9.426002 26.03752 8.977509 8.366846       13.01711 
1 1 1 4   7  62 o 24.33218 7.655225 33.65234       20.33551 52.96000       31.74436 20.21456       26.48290 29.38467 9.597130 21.39342 8.487732 7.991249       12.81197 
1 1 1 4   8  0  o 487.1727 9.129124 11664.00       435.3297 11649.97       615.2807 11678.05       616.0182 485.6920 12.95371 486.2775 12.95359 -0.5854797     18.31923 
1 1 1 4   8  1  f 248.4757 4.909583 3025.247       119.4084 3078.426       170.9990 2974.637       166.8166 250.4012 6.983533 246.1466 6.930614 4.254654       9.838859 
1 1 1 4   8  2  o 196.7005 4.057517 1895.091       78.12174 1945.960       112.5289 1847.764       108.5407 199.1587 5.778536 194.0693 5.720101 5.089417       8.130869 
1 1 1 4   8  3  o 378.9603 7.186531 7045.196       266.5749 7147.342       380.6617 6946.894       373.4300 381.1031 10.21368 375.7274 10.16317 5.375732       14.40865 
1 1 1 4   8  4  o 285.7212 6.404775 4002.397       179.1235 4072.000       312.3602 3968.293       218.6461 287.4781 11.12153 284.2674 7.865495 3.210724       13.62184 
1 1 1 4   8  5  o 448.0637 8.430591 9852.334       369.7464 10800.00       786.9957 9583.904       418.8516 466.7895 17.25413 441.7252 9.687280 25.06436       19.78758 
1 1 1 4   8  6  o 345.1375 6.580717 5838.492       222.3164 5774.000       439.7232 5860.638       257.6751 342.2243 13.15138 345.7051 7.614833 -3.480835      15.19686 
1 1 1 4   8  7  o 419.0783 9.119731 8616.744       374.0964 8679.000       649.3780 8585.820       457.6716 419.2491 15.85266 417.9149 11.19828 1.334198       19.40898 
1 1 1 4   8  8  o 144.1596 4.694806 1018.769       66.15884 1053.000       92.17686 982.4000       95.01305 146.4600 6.445575 141.4237 6.884327 5.036270       9.430768 
1 1 1 4   8  9  o 347.4745 7.647442 5917.467       260.1030 6069.000       456.3064 5844.533       316.5687 351.1455 13.29992 345.0770 9.380994 6.068512       16.27547 
1 1 1 4   8  10 o 492.5445 9.213834 11896.50       444.2138 11070.00       842.5155 12214.73       522.7816 473.4373 18.21462 498.9175 10.70497 -25.48019      21.12744 
1 1 1 4   8  11 o 122.4951 3.479953 735.1667       41.68292 741.6000       69.84946 731.6086       51.94622 122.9111 5.822404 122.1606 4.351217 0.7504425      7.268665 
1 1 1 4   8  12 o 102.8920 3.305665 518.8004       33.24932 503.5000       53.23732 528.5852       42.57355 101.2507 5.391133 103.8183 4.198133 -2.567589      6.832908 
1 1 1 4   8  13 o 180.8985 3.886547 1602.168       68.81849 1683.000       136.9272 1574.849       79.60277 185.1551 7.571202 179.2800 4.539829 5.875076       8.827975 
1 1 1 4   8  14 o 215.7527 4.425153 2279.335       93.45246 2274.769       130.9126 2284.080       133.4473 215.3941 6.215784 215.8280 6.323597 -0.4338837     8.867009 
1 1 1 4   8  15 f 100.9321 3.591432 499.3872       35.42504 487.9818       39.53045 545.9000       79.82934 99.74868 4.057192 105.2377 7.805267 -5.488998      8.796762 
1 1 1 4   8  16 o 511.7018 11.07639 12861.48       554.7806 12630.00       947.7426 12982.15       684.2673 504.8842 19.21257 513.4402 13.62742 -8.556061      23.55482 
1 1 1 4   8  17 o 479.8356 9.001075 11298.94       422.7592 11414.36       491.3617 10970.00       829.5118 482.0595 10.41344 470.5481 18.04338 11.51138       20.83274 
1 1 1 4   8  18 o 178.1317 3.881719 1553.861       67.68173 1588.503       77.88335 1447.000       136.7896 180.0909 4.418214 171.5329 8.170519 8.557953       9.288595 
1 1 1 4   8  19 o 280.2751 5.508315 3849.687       151.1156 4036.153       179.2749 3392.000       280.8694 286.9169 6.383475 262.3441 10.96187 24.57278       12.68509 
1 1 1 4   8  20 o 98.17104 3.409712 472.5182       32.71504 472.5182       32.71504 0.000000       0.000000 98.17104 3.409712 ?        ?        ?              ?        
1 1 1 4   8  21 o 231.2791 5.387104 2622.233       121.9545 2622.233       121.9545 0.000000       0.000000 231.2791 5.387104 ?        ?        ?              ?        
1 1 1 4   8  22 o 263.8703 5.226672 3413.700       134.9963 3386.832       154.5890 3500.000       277.0545 262.7549 6.010651 266.2357 10.65296 -3.480743      12.23166 
1 1 1 4   8  23 o 151.5347 5.102154 1127.165       75.57047 1154.000       104.7173 1098.000       109.1671 153.1317 7.004850 149.3016 7.493967 3.830048       10.25804 
1 1 1 4   8  24 o 83.79081 3.172164 344.3713       25.97008 375.5776       29.27509 229.1000       56.26494 87.49506 3.424903 67.67646 8.694247 19.81860       9.344511 
1 1 1 4   8  25 o 264.3212 5.250559 3427.348       135.8450 3359.999       154.4855 3657.000       285.2703 261.6132 6.032841 271.8153 10.74318 -10.20209      12.32116 
1 1 1 4   8  26 o 159.0540 3.672942 1239.660       57.18273 1273.841       66.10052 1138.000       113.9958 161.1473 4.194160 151.8837 7.692864 9.263596       8.761914 
1 1 1 4   8  27 o 174.3025 4.496763 1490.838       76.65616 1485.354       92.33542 1503.000       137.5055 173.8762 5.431941 174.5039 8.072105 -0.6277313     9.729587 
1 1 1 4   8  28 o 217.1097 6.367319 2318.643       135.1676 2318.643       135.1676 0.000000       0.000000 217.1097 6.367319 ?        ?        ?              ?        
1 1 1 4   8  29 o 251.9643 7.183887 3127.692       176.9951 3127.692       176.9951 0.000000       0.000000 251.9643 7.183887 ?        ?        ?              ?        
1 1 1 4   8  30 o 119.4058 3.390134 699.3657       39.58301 678.8954       44.32910 779.9000       87.92606 117.6048 3.856074 125.6269 7.180279 -8.022125      8.150198 
1 1 1 4   8  31 o 186.8450 5.862683 1718.305       107.0894 1791.000       152.1834 1647.000       150.7217 190.2538 8.191182 182.3621 8.466850 7.891663       11.78062 
1 1 1 4   8  32 f 130.0237 4.978081 831.8281       63.23937 852.4000       87.37878 809.2000       91.64137 131.3210 6.821136 127.8376 7.354676 3.483376       10.03091 
1 1 1 4   8  33 o 220.9933 4.619984 2399.420       99.93688 2370.718       114.0978 2494.000       207.1170 219.5323 5.309731 223.7410 9.478703 -4.208740      10.86458 
1 1 1 4   8  34 o 129.0998 4.143133 819.5316       52.28753 879.3245       64.97987 709.7000       88.06785 133.5947 4.977870 119.4571 7.570756 14.13760       9.060658 
1 1 1 4   8  35 o 74.59150 4.030933 274.2061       29.32140 271.2326       33.55915 283.8000       60.27956 74.09960 4.650334 75.05727 8.345817 -0.9576645     9.553966 
1 1 1 4   8  36 o 85.98615 3.919505 364.2712       32.90200 405.7690       39.35338 267.9000       59.97124 90.67774 4.447356 72.71205 8.591944 17.96569       9.674734 
1 1 1 4   8  37 o 31.56269 6.484875 51.23988       19.36410 31.94217       24.32739 84.60814       31.98965 25.66731 8.402618 40.37146 8.370218 -14.70416      11.86021 
1 1 1 4   8  38 o 134.4588 3.555228 890.0502       46.75002 927.8690       65.38202 850.4879       66.87220 136.9329 4.885860 130.9869 5.226177 5.945953       7.154338 
1 1 1 4   8  39 o 101.1760 3.437345 504.4084       33.99193 512.5029       46.25999 494.9088       50.11475 101.6990 4.659488 99.79861 5.147601 1.900368       6.943243 
1 1 1 4   8  40 o 87.92612 3.545194 381.5680       30.44898 403.2616       41.46663 356.1836       44.85548 90.10770 4.717872 84.45884 5.454980 5.648865       7.212152 
1 1 1 4   8  41 o 80.95981 3.632778 323.9726       28.71487 345.0176       38.81981 298.5451       42.67072 83.25766 4.783601 77.15589 5.690113 6.101768       7.433722 
1 1 1 4   8  42 o 39.65337 5.695514 80.09737       21.47288 81.98876       27.57479 77.18346       34.22633 39.64378 7.377528 37.92369 9.293961 1.720089       11.86615 
1 1 1 4   8  43 f 65.34391 3.999022 212.1114       25.45542 208.9390       32.86094 216.8713       40.25197 64.50843 5.249579 65.34657 6.373934 -0.8381424     8.257427 
1 1 1 4   8  44 o 92.87982 3.988774 428.2461       36.17875 411.4780       42.89092 469.6000       67.35698 90.73495 4.846891 95.75871 7.239814 -5.023758      8.712478 
1 1 1 4   8  45 o 85.96929 3.625011 366.5349       30.43569 385.5385       40.47161 341.7974       46.17529 87.77352 4.728100 82.18189 5.777006 5.591629       7.465168 
1 1 1 4   8  46 o 56.16587 5.096001 159.6302       27.71151 195.7197       31.36913 31.38000       59.13446 62.19418 5.200399 30.25186 12.43527 31.94232       13.47887 
1 1 1 4   8  47 o 38.30616 5.830251 76.11282       21.17192 70.62874       26.66416 85.46944       34.82859 36.14662 7.767707 39.20925 9.229216 -3.062630      12.06299 
1 1 1 4   8  48 f 50.28609 5.063317 128.8958       24.58342 132.6000       34.80535 125.2083       34.72719 49.96972 7.334089 48.40974 7.577089 1.559986       10.54520 
1 1 1 4   8  49 o 66.95550 4.304156 225.7425       28.05911 233.0000       41.11491 219.4156       38.38841 66.94976 6.349902 65.10318 6.094952 1.846581       8.801687 
1 1 1 4   8  50 o 18.24878 7.984502 -1.251300      27.12372 0.000000       0.000000 -1.251300      27.12372 ?        ?        18.24878 7.984502 ?              ?        
1 1 1 4   8  51 o 61.52536 4.642901 192.2912       27.75448 164.4000       48.86201 205.5766       33.72288 53.78210 9.635602 63.16547 5.509372 -9.383369      11.09946 
1 1 1 4   8  52 o 70.75303 3.537858 250.5292       24.42371 294.7360       33.97686 203.2633       35.13281 76.20281 4.576272 62.54305 5.805145 13.65976       7.392021 
1 1 1 4   8  53 o 28.60325 6.494354 44.40312       17.76595 19.82081       23.09835 80.00990       27.79943 21.18559 8.057796 38.00160 7.736854 -16.81600      11.17081 
1 1 1 4   8  54 o 30.23054 6.276979 49.39697       17.96563 27.34887       23.53197 80.20494       27.81662 23.11460 8.244266 37.93518 7.753338 -14.82057      11.31734 
1 1 1 4   8  55 o 30.91928 6.250722 51.67857       18.26637 60.33697       24.25900 40.34212       27.75829 32.77609 7.694154 26.82430 8.982850 5.951790       11.82758 
1 1 1 4   8  56 o 33.27050 6.339425 59.90128       19.89147 66.07961       24.39021 47.63000       34.37359 34.40825 7.457455 28.72434 9.987437 5.683908       12.46445 
1 1 1 4   8  57 o 21.66771 7.778906 23.65225       20.98623 23.61898       23.56142 23.78000       46.16569 22.03966 8.189791 25.57951 10.78637 -3.539850      13.54320 
1 1 1 4   8  58 o 32.79914 6.299541 58.29208       19.48956 55.00926       26.51540 62.14994       28.74409 30.81560 8.510222 32.60388 8.802719 -1.788282      12.24384 
1 1 1 4   8  59 o 33.75203 6.244483 61.71925       19.87050 92.61011       28.09056 30.78187       28.11171 40.87973 7.287429 24.28124 8.959803 16.59849       11.54923 
1 1 1 4   8  60 o 44.34019 4.887239 102.2233       20.85988 105.6742       29.21596 98.63478       29.79316 43.78043 7.057549 41.95304 7.531941 1.827385       10.32178 
1 1 1 4   8  61 o 49.32294 4.455959 125.4404       21.28098 124.7373       30.08929 126.1440       30.10242 47.79533 6.608232 48.09868 6.565015 -0.3033485     9.314942 
1 1 1 4   8  62 o 15.91671 6.853079 2.722773       19.33146 9.851393       25.19648 -7.478000      30.14072 18.97519 7.983191 17.59202 8.000403 1.383169       11.30211 
1 1 1 4   9  0  o 277.5199 5.404505 3773.498       146.8102 3807.513       209.0492 3740.397       206.2217 278.5067 7.675754 276.0432 7.639572 2.463562       10.82960 
1 1 1 4   9  1  o 190.1249 3.964740 1770.144       73.78362 1807.622       105.7032 1734.532       103.0393 191.9876 5.630907 188.0646 5.603694 3.923019       7.944086 
1 1 1 4   9  2  o 388.4002 8.489873 7402.202       322.7653 7539.000       565.4109 7336.074       393.1111 390.6666 14.81286 386.2719 10.40667 4.394745       18.10303 
1 1 1 4   9  3  o 260.6367 5.115943 3327.619       130.5172 3315.000       259.5665 3331.889       150.9939 259.5966 10.23518 260.7649 5.915672 -1.168213      11.82176 
1 1 1 4   9  4  o 450.4092 8.467435 9951.105       373.3063 10210.00       757.2601 9867.990       429.0648 454.3557 17.05748 448.3559 9.776734 5.999756       19.66067 
1 1 1 4   9  5  o 146.5547 4.708467 1052.934       67.45612 1127.000       97.48889 984.9000       93.43491 151.5104 6.589404 141.6051 6.760524 9.905365       9.440600 
1 1 1 4   9  6  o 322.9605 8.793612 5119.003       277.7273 5469.000       409.1693 4820.000       378.1890 333.3528 12.56234 312.9468 12.37054 20.40594       17.63073 
1 1 1 4   9  7  o 351.6386 7.744532 6060.540       266.5618 6080.000       459.7557 6050.686       327.1637 351.4353 13.38969 351.0910 9.528858 0.3442993      16.43420 
1 1 1 4   9  8  o 401.0008 7.577328 7880.425       297.4182 7619.000       578.6125 7974.302       346.7308 393.2325 15.06038 403.2892 8.783541 -10.05679      17.43461 
1 1 1 4   9  9  f 900.8719 16.70128 39974.71       1472.717 37020.00       2784.055 41122.75       1735.399 858.2937 33.20134 912.6887 19.42543 -54.39496      38.46656 
1 1 1 4   9  10 o 321.4756 7.113852 5063.909       223.8510 5047.000       385.7626 5072.493       274.8609 320.3252 12.32633 321.5330 8.741467 -1.207794      15.11131 
1 1 1 4   9  11 o 531.6993 11.46345 13879.71       596.6063 12970.00       983.7604 14408.93       750.3370 512.0471 19.66442 541.1065 14.17887 -29.05939      24.24314 
1 1 1 4   9  12 o 158.1683 3.562458 1224.764       55.15379 1292.000       108.9986 1201.624       63.94413 162.2366 6.879439 156.6022 4.175268 5.634384       8.047331 
1 1 1 4   9  13 o 555.7200 11.99145 15170.80       652.2800 14836.27       786.1418 15910.00       1168.594 548.8647 14.64595 566.5088 21.11111 -17.64404      25.69402 
1 1 1 4   9  14 o 161.9959 4.255859 1285.878       67.42501 1375.000       120.3885 1245.147       81.38689 167.3286 7.368423 159.3589 5.224676 7.969742       9.032768 
1 1 1 4   9  15 o 312.6588 6.037243 4789.457       184.7632 4774.134       259.9994 4805.088       262.6095 311.8756 8.524960 312.8795 8.582969 -1.003967      12.09720 
1 1 1 4   9  16 o 94.19952 3.004466 434.8547       27.66728 467.4720       37.87459 397.5338       40.51347 97.62662 3.971743 89.97608 4.615511 7.650536       6.089145 
1 1 1 4   9  17 o 99.84105 4.919030 489.4876       47.92429 512.6000       64.05498 460.1000       72.22928 102.0588 6.444952 96.54547 7.707142 5.513344       10.04676 
1 1 1 4   9  18 o 259.9257 5.148451 3310.312       130.9882 3303.109       150.3507 3333.000       266.8345 259.5954 5.917007 260.1392 10.50082 -0.5437622     12.05314 
1 1 1 4   9  19 o 88.97390 2.984164 388.0401       25.95234 364.9293       28.06555 524.4000       68.17256 86.26342 3.330099 103.1758 6.788046 -16.91236      7.560895 
1 1 1 4   9  20 o 334.5524 6.436277 5490.347       210.7682 5230.533       234.4300 6586.000       481.4133 326.4288 7.337000 364.7562 13.50703 -38.32736      15.37113 
1 1 1 4   9  21 o 118.2148 3.177906 684.8691       36.73880 669.3914       40.88373 749.8000       83.73813 116.8490 3.578752 123.3940 6.961257 -6.545059      7.827297 
1 1 1 4   9  22 o 468.9918 8.859068 10823.02       406.6862 11151.13       479.4176 9981.000       768.0159 475.5985 10.29834 446.5274 17.60629 29.07111       20.39700 
1 1 1 4   9  23 o 236.5126 4.777982 2742.353       110.6127 2767.540       127.7688 2667.000       220.9960 237.5311 5.495385 232.4196 9.735721 5.111450       11.17960 
1 1 1 4   9  24 o 89.52064 3.104250 392.9969       27.15991 401.5407       30.13321 356.0000       62.70516 90.47133 3.408833 84.74467 7.641348 5.726654       8.367219 
1 1 1 4   9  25 o 183.0640 4.628383 1644.329       82.86860 1641.686       100.3429 1650.000       146.9603 182.8071 5.614390 182.8784 8.230876 -0.7127380E-01 9.963367 
1 1 1 4   9  26 o 259.7241 6.003526 3312.801       152.6247 3301.174       185.7052 3337.000       267.9125 258.9469 7.334064 259.5291 10.56842 -0.5821228     12.86390 
1 1 1 4   9  27 o 250.5204 5.785616 3082.037       141.8727 3082.037       141.8727 0.000000       0.000000 250.5204 5.785616 ?        ?        ?              ?        
1 1 1 4   9  28 o 250.5131 5.805841 3082.656       142.3645 3082.656       142.3645 0.000000       0.000000 250.5131 5.805841 ?        ?        ?              ?        
1 1 1 4   9  29 o 143.1310 4.104376 1005.472       57.44316 979.1057       67.87804 1072.000       107.8230 141.1528 4.920376 147.3185 7.502058 -6.165695      8.971676 
1 1 1 4   9  30 o 169.1109 5.476134 1406.582       90.52718 1517.000       128.8655 1299.000       127.2003 175.2522 7.529764 162.0395 8.044909 13.21268       11.01898 
1 1 1 4   9  31 o 156.7022 3.717076 1204.237       57.01418 1225.291       65.57226 1139.000       115.4233 157.9607 4.244813 151.6790 7.800509 6.281693       8.880674 
1 1 1 4   9  32 o 241.0462 5.717156 2859.195       134.8921 2829.589       163.6249 2922.000       238.3212 239.3738 6.990883 242.0978 10.07898 -2.724014      12.26614 
1 1 1 4   9  33 o 212.7887 5.228295 2227.769       108.8967 2355.810       137.1097 2009.000       179.2196 218.4343 6.419670 200.7865 9.142941 17.64775       11.17164 
1 1 1 4   9  34 o 248.6681 5.058138 3044.207       123.1167 3119.782       143.7350 2836.000       238.5714 251.4904 5.838950 237.6333 10.28096 13.85712       11.82334 
1 1 1 4   9  35 o 154.0623 3.684497 1165.942       55.56238 1203.881       64.43994 1056.000       109.6969 156.4041 4.213048 145.5126 7.729445 10.89153       8.803073 
1 1 1 4   9  36 o 101.9565 3.763457 511.7853       37.49405 518.4438       44.20042 494.7000       70.80250 102.5047 4.415664 99.41750 7.327263 3.087227       8.554934 
1 1 1 4   9  37 o 79.76216 3.954444 313.9727       30.77742 321.0261       35.49452 292.6000       61.78619 80.55376 4.519752 75.86330 8.464628 4.690453       9.595733 
1 1 1 4   9  38 o 63.02963 3.725025 196.2768       22.87912 174.6292       29.13995 231.0700       36.94287 59.19181 5.078490 68.02854 5.597433 -8.836727      7.557931 
1 1 1 4   9  39 o 67.85744 3.669879 227.5630       24.28490 226.2709       31.23762 229.5371       38.61023 67.44130 4.762643 67.64213 5.890162 -0.2008286     7.574746 
1 1 1 4   9  40 o 165.1405 3.885607 1346.143       62.80856 1435.584       89.71984 1260.184       87.95585 169.7834 5.405562 158.9284 5.663066 10.85495       7.828820 
1 1 1 4   9  41 o 37.87585 5.673354 73.10667       20.38676 86.60937       25.48561 49.11316       33.97282 41.04509 6.564582 30.88695 9.915522 10.15814       11.89165 
1 1 1 4   9  42 f 47.39374 4.683313 112.6201       21.44233 98.97301       26.65620 137.6403       36.09308 43.94080 6.384274 51.62452 7.350077 -7.683720      9.735635 
1 1 1 4   9  43 o 59.86263 4.483892 178.9476       26.08255 203.6003       30.86014 117.3000       48.80051 63.72914 4.986818 46.11060 10.97205 17.61855       12.05215 
1 1 1 4   9  44 o 61.75071 4.006474 189.8089       24.08572 208.4998       30.83508 160.5572       38.57492 64.46313 4.924100 55.69804 7.247223 8.765087       8.761792 
1 1 1 4   9  45 o 75.92394 4.217946 287.6209       31.22307 277.9002       35.22054 323.3000       67.47649 74.39210 4.863522 77.99327 9.003817 -3.601173      10.23340 
1 1 1 4   9  46 o 49.47174 4.659109 123.5373       22.29577 117.2966       27.89346 134.5795       37.10351 47.67790 6.117748 50.37685 7.774399 -2.698956      9.892832 
1 1 1 4   9  47 o 75.17212 3.675815 281.7123       26.96485 298.6019       35.48205 258.6231       41.48611 76.94106 4.734264 70.92783 6.032769 6.013237       7.668608 
1 1 1 4   9  48 o 49.74183 4.409769 125.0158       21.24834 116.7595       26.97967 138.5018       34.48136 47.46184 5.936965 51.18905 7.070392 -3.727215      9.232442 
1 1 1 4   9  49 o 43.94679 5.539115 99.83092       23.29905 94.91000       32.11396 105.2997       33.85456 41.60312 8.177781 43.87106 8.184733 -2.267941      11.57005 
1 1 1 4   9  50 o 35.51317 6.384457 66.97684       21.37738 45.13000       29.48015 91.20434       31.04486 28.60182 9.241661 40.74441 8.069750 -12.14259      12.26903 
1 1 1 4   9  51 o 33.22778 6.588705 59.32040       20.67208 68.70000       29.38666 50.13227       29.08516 34.87364 8.650866 29.79978 9.119604 5.073862       12.56999 
1 1 1 4   9  52 o 58.55013 4.769316 174.9810       27.09663 225.3000       49.27024 153.1627       32.44361 64.24897 8.007865 53.96243 6.258219 10.28654       10.16323 
1 1 1 4   9  53 o 98.02731 4.019047 484.3670       38.48172 438.9000       64.87276 509.0513       47.79956 90.23149 7.410345 99.79200 4.908588 -9.560509      8.888614 
1 1 1 4   9  54 o 34.53259 5.705103 63.20178       18.61127 41.83048       24.40981 92.87629       28.76343 27.21300 8.359520 41.04842 7.432323 -13.83542      11.18575 
1 1 1 4   9  55 o 29.44409 7.026016 47.95469       19.96645 46.32139       24.44297 51.23000       34.61362 28.53115 8.272692 29.64507 10.03141 -1.113918      13.00256 
1 1 1 4   9  56 o 42.35315 5.728568 94.69082       23.14028 93.50401       26.15973 98.96000       49.61524 41.57853 6.651853 39.01757 11.90528 2.560955       13.63755 
1 1 1 4   9  57 o 35.51667 5.802643 67.16594       19.47680 94.86209       26.34085 33.75863       28.92949 41.85767 6.651339 25.15871 9.119811 16.69896       11.28766 
1 1 1 4   9  58 o 49.83221 4.456882 127.2903       21.51013 123.6471       29.33410 131.5277       31.63597 47.99720 6.403439 49.30369 6.730912 -1.306492      9.290276 
1 1 1 4   9  59 o 26.66966 6.987604 39.68826       18.45672 55.03830       25.39260 22.49516       26.87383 30.85827 8.248382 22.22434 8.629383 8.633928       11.93742 
1 1 1 4   9  60 o 64.24790 3.829940 209.2293       23.97627 228.1191       34.23359 191.0424       33.59068 66.04649 5.340895 60.08083 5.783211 5.965660       7.872147 
1 1 1 4   9  61 o 81.23986 4.028667 336.2836       31.93595 300.8568       39.04390 407.9000       55.51283 75.74996 5.299226 86.72103 6.589091 -10.97107      8.455645 
1 1 1 4   10 0  o 431.6852 9.381470 9142.751       396.4096 9417.000       700.6144 9013.613       480.7643 436.7072 16.41937 428.2125 11.48044 8.494720       20.03488 
1 1 1 4   10 1  o 537.2181 10.02079 14163.84       526.9371 14580.00       1075.655 14032.44       604.4297 542.3633 20.29754 534.4768 11.55342 7.886475       23.35533 
1 1 1 4   10 2  o 501.7033 9.380232 12348.06       460.6454 12710.00       939.5844 12233.53       528.5217 506.8092 18.97372 499.1767 10.81689 7.632538       21.84050 
1 1 1 4   10 3  o 374.2759 8.197921 6867.769       300.3321 6929.000       522.6599 6837.585       366.9664 375.0135 14.26456 373.1545 10.05605 1.859009       17.45285 
1 1 1 4   10 4  o 566.2552 10.57107 15736.61       585.9190 18250.00       1303.598 15100.32       655.9047 606.6149 21.99093 554.4523 12.08566 52.16260       25.09311 
1 1 1 4   10 5  o 334.1187 7.375304 5470.732       241.2054 5679.000       427.8872 5373.725       292.0264 339.7220 12.89104 330.9135 9.024166 8.808563       15.73577 
1 1 1 4   10 6  o 297.3257 6.638372 4331.010       193.1969 4398.000       337.1252 4298.252       235.7483 299.0846 11.53735 296.0106 8.144192 3.074036       14.12226 
1 1 1 4   10 7  o 415.8805 9.069359 8480.854       369.1912 9132.000       671.5229 8198.777       441.9820 430.4019 15.96739 408.5681 11.06200 21.83377       19.42487 
1 1 1 4   10 8  o 394.2114 8.641431 7618.911       333.4426 7780.000       581.5101 7540.000       406.9996 397.3857 14.97672 391.8474 10.62115 5.538239       18.36058 
1 1 1 4   10 9  o 127.3988 4.235694 795.5587       52.74629 749.3000       73.52875 844.6000       75.70802 123.5292 6.099956 131.1798 5.911341 -7.650627      8.494316 
1 1 1 4   10 10 o 167.3737 4.208171 1372.503       68.88777 1484.000       122.5511 1320.999       83.29243 173.8718 7.216505 164.1546 5.190300 9.717194       8.889159 
1 1 1 4   10 11 o 357.8295 6.823491 6273.943       238.9951 6270.000       475.0348 6275.280       276.5436 356.8332 13.62551 357.7961 7.896267 -0.9628906     15.74819 
1 1 1 4   10 12 o 160.8770 4.219222 1268.139       66.38311 1313.630       80.70802 1173.000       116.7173 163.6993 5.042918 154.4987 7.742663 9.200562       9.240122 
1 1 1 4   10 13 o 419.2138 9.142085 8621.072       375.1346 8497.000       643.6207 8684.907       461.6589 414.9154 15.87692 420.3655 11.22993 -5.450134      19.44706 
1 1 1 4   10 14 o 250.1907 4.974836 3065.778       121.8305 3030.662       170.4190 3102.484       174.2332 248.5643 7.011436 251.4888 7.084986 -2.924423      9.967811 
1 1 1 4   10 15 o 421.1785 7.958045 8700.059       328.0793 8489.789       454.6338 8928.542       473.9149 415.4828 11.18917 426.0569 11.37405 -10.57413      15.95514 
1 1 1 4   10 16 o 446.4103 8.407443 9779.235       367.3706 9579.631       511.5208 9991.868       527.9497 441.0927 11.85827 450.4613 11.98436 -9.368591      16.85952 
1 1 1 4   10 17 o 30.09703 7.916755 46.05884       23.63083 -31.15000      38.34945 93.32000       30.00391 19.06674 8.801329 43.01265 7.392879 -23.94590      11.49426 
1 1 1 4   10 18 o 119.1932 3.136248 696.1194       36.55868 696.8248       40.73649 693.2000       82.87499 119.2369 3.494101 118.6513 7.169284 0.5855865      7.975423 
1 1 1 4   10 19 o 178.7354 3.850500 1564.758       67.36492 1543.336       76.24340 1641.000       143.8391 177.4863 4.388652 182.6127 8.067015 -5.126419      9.183517 
1 1 1 4   10 20 o 105.9691 3.379646 550.5276       35.01071 550.5276       35.01071 0.000000       0.000000 105.9691 3.379646 ?        ?        ?              ?        
1 1 1 4   10 21 o 94.16234 3.330988 434.8100       30.65293 434.8100       30.65293 0.000000       0.000000 94.16234 3.330988 ?        ?        ?              ?        
1 1 1 4   10 22 o 97.72856 3.038204 468.2001       29.02798 476.6603       32.21696 431.7000       66.91754 98.59157 3.343238 93.44569 7.375779 5.145874       8.098108 
1 1 1 4   10 23 o 227.0493 4.624658 2527.330       102.7794 2639.372       120.9389 2236.000       195.0153 231.9625 5.326502 212.7918 9.385932 19.17076       10.79200 
1 1 1 4   10 24 o 246.0631 4.936245 2969.550       118.8911 3019.671       137.9719 2825.000       234.3104 248.0455 5.682679 239.0019 10.03811 9.043625       11.53502 
1 1 1 4   10 25 o 130.7534 3.938424 838.6954       50.34845 827.9826       59.72741 865.0000       93.59153 129.8492 4.707035 132.4237 7.248093 -2.574509      8.642397 
1 1 1 4   10 26 o 155.7837 5.119459 1192.120       77.95824 1192.120       77.95824 0.000000       0.000000 155.7837 5.119459 ?        ?        ?              ?        
1 1 1 4   10 27 o 327.3710 6.341462 5267.419       203.2057 5452.807       239.2907 4788.000       384.8071 332.8418 7.344832 309.8981 12.71279 22.94363       14.68202 
1 1 1 4   10 28 o 78.51919 3.292974 302.6406       25.25255 292.8962       27.58328 353.1000       62.76835 77.21487 3.659963 84.31176 7.690395 -7.096893      8.516896 
1 1 1 4   10 29 o 150.6505 5.225393 1115.938       76.93744 1166.000       107.3176 1063.000       110.3580 153.6887 7.153456 146.6236 7.716587 7.065048       10.52225 
1 1 1 4   10 30 o 169.7727 4.478722 1415.507       74.36160 1360.965       87.79150 1554.000       139.8950 166.3366 5.399259 177.2144 8.086171 -10.87776      9.723073 
1 1 1 4   10 31 o 194.2640 4.865409 1855.005       92.44345 1884.073       112.9414 1796.000       160.9127 195.5814 5.906324 190.2538 8.663472 5.327606       10.48525 
1 1 1 4   10 32 o 129.6050 3.964673 825.1849       50.23707 837.3704       60.02831 796.7000       91.77869 130.4594 4.708552 126.7473 7.430290 3.712090       8.796572 
1 1 1 4   10 33 o 196.3768 4.230267 1894.549       81.31378 1873.191       92.67303 1966.000       169.5058 195.1502 4.851523 198.6368 8.739426 -3.486588      9.995741 
1 1 1 4   10 34 o 96.30875 4.073618 456.6243       38.31514 480.4862       46.47601 406.0000       67.69488 98.68284 4.826142 90.09306 7.751707 8.589775       9.131299 
1 1 1 4   10 35 o 85.23646 4.216780 358.3082       35.07214 353.0066       41.90832 370.7000       64.07157 84.45385 5.093282 85.95262 7.696916 -1.498772      9.229520 
1 1 1 4   10 36 f 105.0785 3.313938 542.9979       34.04247 554.3922       38.56664 502.8000       72.43826 106.1105 3.718940 100.1307 7.444106 5.979805       8.321371 
1 1 1 4   10 37 o 113.4480 3.827273 634.3638       42.43949 628.2408       49.71993 650.8000       81.46143 112.7434 4.514528 113.8475 7.349348 -1.104156      8.625189 
1 1 1 4   10 38 o 61.32330 4.894886 187.2545       29.13781 187.2545       29.13781 0.000000       0.000000 61.32330 4.894886 ?        ?        ?              ?        
1 1 1 4   10 39 o 119.5886 3.434593 704.9601       40.16253 770.0898       56.19698 636.9658       57.41954 124.6418 4.614167 113.1457 5.198495 11.49614       6.950891 
1 1 1 4   10 40 o 157.1748 3.793503 1219.369       58.36192 1253.294       81.25120 1183.210       83.88422 158.6560 5.239178 153.9778 5.574853 4.678192       7.650358 
1 1 1 4   10 41 o 23.65675 7.348432 28.36585       18.80042 43.98858       22.96791 -3.356908      32.72868 28.91684 7.894621 20.19190 8.803966 8.724934       11.82518 
1 1 1 4   10 42 o 93.18749 3.866309 430.1912       35.18974 462.2565       42.38934 359.1000       63.11700 96.39848 4.504878 83.56693 7.806576 12.83155       9.013132 
1 1 1 4   10 43 o 71.48239 3.732128 253.4484       26.02286 275.7904       33.75632 220.7213       40.85527 74.30270 4.664890 65.82721 6.422271 8.475487       7.937680 
1 1 1 4   10 44 o 110.0474 3.996083 601.4694       42.97332 606.6201       50.42363 587.8000       82.14466 110.2189 4.684500 106.5414 7.933842 3.677513       9.213597 
1 1 1 4   10 45 o 57.14206 4.212955 163.3993       23.39831 177.7151       29.81879 140.4606       37.74549 59.27694 5.191583 51.63585 7.703362 7.641087       9.289474 
1 1 1 4   10 46 o 18.45039 7.180538 12.05240       18.64073 12.19238       22.57627 11.75255       33.04263 19.62289 7.819938 22.28504 9.240932 -2.662148      12.10563 
1 1 1 4   10 47 o 34.26313 6.047531 61.58959       19.54078 56.46742       24.26611 71.03810       32.95755 32.18199 7.788264 35.56306 9.346984 -3.381073      12.16648 
1 1 1 4   10 48 o 16.33044 6.761173 5.259936       17.65006 13.26723       21.74050 -10.22168      30.22977 19.51733 7.707069 17.97602 8.109560 1.541309       11.18767 
1 1 1 4   10 49 o 30.88046 6.332624 50.86125       18.49841 51.29993       23.03928 50.06539       31.03217 30.55250 7.706180 29.94030 9.461556 0.6121979      12.20271 
1 1 1 4   10 50 o 32.23203 6.057676 55.07048       18.41026 57.86652       23.17776 50.29077       30.30413 32.51291 7.443871 29.91667 9.335354 2.596239       11.93985 
1 1 1 4   10 51 o 32.15917 6.657180 55.79964       20.26487 26.36000       27.16390 92.74754       30.43132 23.57683 8.787312 41.06409 7.857141 -17.48726      11.78777 
1 1 1 4   10 52 o 28.91413 6.982791 45.79079       19.53790 35.78000       26.74821 57.24118       28.60689 25.79566 8.816923 31.64085 8.877546 -5.845194      12.51195 
1 1 1 4   10 53 o 41.73639 5.258569 90.69601       21.00684 84.92000       30.18648 96.11988       29.25187 38.79626 8.205751 41.82565 7.416577 -3.029392      11.06074 
1 1 1 4   10 54 o 66.30897 5.422936 228.4000       34.89043 164.6000       51.55849 282.3000       47.38972 52.34918 10.42843 72.65655 6.740359 -20.30737      12.41711 
1 1 1 4   10 55 f 29.61930 9.740074 51.25302       32.67288 65.18000       45.18396 35.99000       47.30161 32.57610 11.44214 27.61163 11.20802 4.964470       16.01694 
1 1 1 4   10 56 o 38.62743 5.235495 78.08682       19.28608 76.80266       25.74862 79.72800       29.10868 37.21583 7.329303 37.42690 8.175063 -0.2110748     10.97954 
1 1 1 4   10 57 o 58.58643 3.988621 174.0276       22.73674 182.6967       31.25366 164.2816       33.13826 59.16028 5.458668 55.58630 6.195740 3.573986       8.257376 
1 1 1 4   10 58 o 29.46132 6.679811 47.92412       18.81738 46.68086       25.02972 49.54027       28.53758 28.42194 8.407691 29.05687 9.057956 -0.6349316     12.35863 
1 1 1 4   10 59 o 51.35028 4.282571 134.8309       21.32972 110.2681       29.43552 161.9881       30.95107 44.89846 6.919843 55.37327 5.796210 -10.47481      9.026642 
1 1 1 4   10 60 o 47.06630 4.614973 114.5614       20.98807 98.10703       29.18996 132.1730       30.19897 41.84097 7.397862 49.43724 6.389999 -7.596268      9.775503 
1 1 1 4   10 61 o 21.06901 7.351726 23.58954       18.63378 37.04673       26.52410 10.47576       26.18348 25.35437 8.775586 19.35834 8.140842 5.996031       11.97014 
1 1 1 4   11 0  o 523.9282 9.778290 13464.77       501.4653 13480.00       1003.607 13459.70       578.9121 522.0755 19.67443 523.6325 11.29483 -1.557007      22.68604 
1 1 1 4   11 1  o 178.3071 3.802773 1556.544       66.37051 1614.000       135.5437 1538.422       76.12059 181.3131 7.654593 177.2561 4.387274 4.056992       8.822753 
1 1 1 4   11 2  f 334.6926 6.404023 5487.654       209.7999 5665.000       428.2232 5431.640       240.6621 339.3141 12.91683 332.9272 7.385028 6.386902       14.87895 
1 1 1 4   11 3  o 710.6989 13.18313 24820.44       917.0870 24920.00       1838.213 24787.45       1058.187 707.2650 26.60002 709.7454 15.23189 -2.480347      30.65243 
1 1 1 4   11 4  o 332.2512 7.355022 5409.484       239.1975 5610.000       422.8134 5315.104       290.0800 337.6808 12.81519 329.1136 9.013112 8.567261       15.66733 
1 1 1 4   11 5  o 509.2767 10.99441 12729.54       548.0650 13210.00       973.8388 12506.82       663.0344 516.9360 19.27994 504.2723 13.44474 12.66364       23.50483 
1 1 1 4   11 6  o 447.9847 8.418427 9838.535       369.1479 10260.00       758.6925 9707.810       422.5360 455.9899 17.02817 444.8763 9.703274 11.11365       19.59878 
1 1 1 4   11 7  o 660.0491 12.26138 21399.31       792.1762 20640.00       1542.352 21671.39       923.2604 644.3167 24.50022 663.8211 14.20911 -19.50446      28.32242 
1 1 1 4   11 8  o 326.3195 7.223580 5218.198       230.7288 5510.000       413.8312 5086.574       277.9370 334.6385 12.65682 321.9554 8.827839 12.68307       15.43133 
1 1 1 4   11 9  o 523.7926 11.30633 13470.88       579.6785 14570.00       1060.862 13003.01       692.1453 542.5251 20.01141 514.0350 13.76859 28.49005       24.29054 
1 1 1 4   11 10 o 681.9884 14.66300 22890.82       978.8273 23250.00       1710.212 22715.84       1193.671 682.9573 25.62839 678.1866 17.99754 4.770752       31.31654 
1 1 1 4   11 11 o 349.6142 6.682421 5989.399       228.6805 6048.474       326.1937 5932.303       320.6828 350.9882 9.503348 347.6068 9.433718 3.381348       13.39062 
1 1 1 4   11 12 o 300.8738 5.826910 4434.751       171.6046 4557.770       246.9354 4319.851       238.6478 304.7545 8.285719 296.6936 8.225501 8.060913       11.67527 
1 1 1 4   11 13 o 240.4485 4.815393 2831.597       113.3340 2762.644       157.3744 2905.884       163.3494 237.3230 6.781623 243.3961 6.863276 -6.073166      9.648574 
1 1 1 4   11 14 o 200.4483 4.190083 1967.625       82.21126 1941.653       114.5592 1995.203       118.0478 198.9759 5.888452 201.6966 5.985963 -2.720657      8.396762 
1 1 1 4   11 15 o 608.5438 11.35631 18214.70       676.4492 17775.64       938.4801 18689.48       975.9044 599.4906 16.00757 614.6254 16.23570 -15.13477      22.80000 
1 1 1 4   11 16 f 181.6684 3.902677 1616.295       69.39819 1609.803       97.11466 1623.069       99.20647 181.1626 5.482899 181.9011 5.578430 -0.7385559     7.821832 
1 1 1 4   11 17 o 134.7632 3.307528 889.2983       43.62957 870.2181       59.75214 911.0889       63.85506 133.1984 4.589842 136.2807 4.794373 -3.082336      6.637218 
1 1 1 4   11 18 o 223.6006 4.544440 2449.677       99.46253 2443.671       113.8747 2469.000       204.2624 223.2870 5.210240 223.8846 9.341425 -0.5976715     10.69621 
1 1 1 4   11 19 o 203.3424 5.997188 2029.820       119.2359 2029.820       119.2359 0.000000       0.000000 203.3424 5.997188 ?        ?        ?              ?        
1 1 1 4   11 20 o 93.74958 3.658487 431.1866       33.50755 457.7878       39.31766 360.6000       64.04675 96.56885 4.169355 85.31719 7.753887 11.25166       8.803765 
1 1 1 4   11 21 o 83.26678 3.919259 340.4562       31.85381 340.4562       31.85381 0.000000       0.000000 83.26678 3.919259 ?        ?        ?              ?        
1 1 1 4   11 22 o 214.1049 5.140367 2248.200       107.7276 2186.800       128.9586 2390.000       195.9771 210.9640 6.251945 220.0775 9.117273 -9.113525      11.05493 
1 1 1 4   11 23 o 54.21588 3.342193 144.5403       17.65014 146.7007       18.84450 129.1000       50.37915 54.60508 3.544858 50.19256 10.58789 4.412521       11.16555 
1 1 1 4   11 24 o 218.8309 4.507082 2348.066       96.54069 2472.650       113.8891 2030.000       181.9738 224.4933 5.182896 202.6657 9.197206 21.82768       10.55704 
1 1 1 4   11 25 o 121.9585 4.629894 730.5241       55.16959 730.5241       55.16959 0.000000       0.000000 121.9585 4.629894 ?        ?        ?              ?        
1 1 1 4   11 26 o 145.2011 3.474813 1033.148       49.38642 1017.181       55.30482 1096.000       109.7270 143.9964 3.927453 149.0173 7.547214 -5.020981      8.507957 
1 1 1 4   11 27 o 223.8875 4.604339 2459.034       100.9028 2499.799       116.7865 2339.000       200.4017 225.6505 5.287498 217.3333 9.442924 8.317169       10.82250 
1 1 1 4   11 28 o 268.1594 6.153328 3535.667       161.5137 3701.702       201.9548 3241.000       269.0411 273.9659 7.538144 255.3048 10.79031 18.66112       13.16261 
1 1 1 4   11 29 o 89.19974 3.243100 390.4637       28.26875 382.8027       31.09892 426.9000       67.82195 88.29067 3.606112 92.74758 7.535568 -4.456909      8.353971 
1 1 1 4   11 30 o 235.5584 4.817123 2725.173       111.0689 2783.878       129.1059 2558.000       217.8679 237.9473 5.543182 226.7618 9.839019 11.18544       11.29306 
1 1 1 4   11 31 o 131.1982 3.978724 845.4671       51.03590 798.5275       59.14536 982.3000       100.9826 127.4019 4.751164 140.8391 7.350599 -13.43721      8.752420 
1 1 1 4   11 32 f 94.78711 3.870873 441.7445       35.83850 460.5213       42.32785 394.2000       67.35433 96.70938 4.483684 88.88235 7.821531 7.827034       9.015530 
1 1 1 4   11 33 o 244.0647 5.758026 2937.863       137.5577 3045.352       171.1913 2742.000       231.0878 247.9137 7.061836 233.7172 10.12539 14.19649       12.34476 
1 1 1 4   11 34 o 77.18477 3.874657 293.4969       29.17964 285.1119       33.29015 321.3000       60.61959 75.98421 4.496058 79.98845 7.843186 -4.004242      9.040471 
1 1 1 4   11 35 o 52.36745 4.136367 135.7886       21.03042 135.1946       23.07620 138.7000       51.08942 52.18645 4.563388 51.45972 10.49877 0.7267303      11.44765 
1 1 1 4   11 36 o 117.1549 4.041325 676.6863       46.27428 729.1491       57.04147 575.7000       79.13997 121.4345 4.808412 107.0375 7.603086 14.39703       8.995985 
1 1 1 4   11 37 o 64.14910 4.817499 204.5348       30.02853 213.0495       35.79314 184.3000       55.17781 65.29246 5.656286 59.44535 9.825864 5.847107       11.33760 
1 1 1 4   11 38 o 78.30618 3.956770 303.2353       30.22967 308.9869       34.64819 284.9000       61.86242 78.92768 4.503511 74.45733 8.648905 4.470352       9.751163 
1 1 1 4   11 39 o 95.16908 4.485967 449.2577       41.67101 449.2577       41.67101 0.000000       0.000000 95.16908 4.485967 ?        ?        ?              ?        
1 1 1 4   11 40 o 76.44566 3.514012 288.8141       26.22401 303.0000       34.16582 268.4733       40.91186 78.06817 4.490013 73.09583 5.764712 4.972336       7.306991 
1 1 1 4   11 41 o 29.10786 7.144999 44.55120       20.20391 45.17840       22.83468 42.29000       43.35703 29.26275 7.821908 30.37094 11.14073 -1.108185      13.61242 
1 1 1 4   11 42 o 88.31660 3.462995 385.6590       29.87844 357.8631       38.04430 430.3973       48.26572 84.73663 4.604121 92.66930 5.343702 -7.932678      7.053586 
1 1 1 4   11 43 o 64.21823 4.304093 205.7171       26.89870 203.8438       29.99931 213.4000       60.75345 63.76478 4.842659 62.83132 10.23007 0.9334564      11.31838 
1 1 1 4   11 44 o 69.73243 3.710443 241.6053       25.23484 219.9491       31.91063 277.7546       41.22815 66.12965 4.966120 74.03757 5.733645 -7.907921      7.585317 
1 1 1 4   11 45 o 124.6271 4.078182 774.0126       49.68213 793.2084       58.71126 725.6000       93.23891 125.7468 4.778695 117.5613 8.153154 8.185478       9.450389 
1 1 1 4   11 46 o 63.95464 3.848369 204.3731       23.97956 195.5998       30.29103 219.1012       39.24708 62.11507 5.024948 65.17814 6.227382 -3.063072      8.001899 
1 1 1 4   11 47 o 41.67791 4.903830 88.69994       19.62302 84.14507       24.27942 97.27955       33.32227 40.00557 6.417178 42.15192 8.371527 -2.146355      10.54811 
1 1 1 4   11 48 o 49.00219 4.277769 121.2964       20.31269 138.5406       25.44703 91.01259       33.72257 52.08429 5.054911 40.41807 8.775962 11.66622       10.12767 
1 1 1 4   11 49 o 48.54134 4.214479 119.0654       19.82626 112.8821       24.80477 130.0039       32.99194 46.73209 5.529687 49.44306 7.013636 -2.710972      8.931323 
1 1 1 4   11 50 o 39.09668 5.009599 78.77781       18.73124 101.4000       23.68403 40.99492       30.60807 44.16930 5.604061 27.50792 9.430815 16.66138       10.97022 
1 1 1 4   11 51 o 50.91576 4.194725 131.3026       20.72030 117.2373       26.32391 154.2094       33.59381 47.37416 5.797460 54.01308 6.483540 -6.638920      8.697519 
1 1 1 4   11 52 o 27.38470 6.714014 40.97467       17.85602 43.74001       22.82032 36.60833       28.67521 27.95374 7.958759 26.08390 9.118698 1.869839       12.10341 
1 1 1 4   11 53 o 80.29343 4.519825 328.2837       35.37944 345.9000       48.30602 307.9000       51.96194 81.13100 6.128175 75.64778 7.100517 5.483223       9.379332 
1 1 1 4   11 54 o 22.97486 8.230852 27.07893       23.48215 22.43000       27.31915 40.23000       45.94850 22.42686 8.702647 28.12551 11.17316 -5.698648      14.16247 
1 1 1 4   11 55 o 26.59411 7.247681 39.46962       19.37775 30.37000       27.43512 48.52843       27.37355 24.22061 8.865773 28.95263 8.844670 -4.732012      12.52318 
1 1 1 4   11 56 o 73.51468 4.351981 275.3034       31.17595 267.6000       56.08957 278.7472       37.50265 68.86436 8.501420 73.31997 5.260529 -4.455605      9.997364 
1 1 1 4   11 57 f 25.13314 8.279323 35.13790       23.60379 13.40000       45.01952 43.37883       27.71918 23.95611 10.38649 27.48714 8.967448 -3.531025      13.72204 
1 1 1 4   11 58 o 29.31289 6.656890 47.45710       18.66300 54.70862       25.41290 38.96738       27.49707 30.74104 8.267057 26.23933 8.940140 4.501713       12.17663 
1 1 1 4   11 59 o 14.32012 6.300094 -1.736537      17.09738 15.46596       23.97835 -19.52815      24.38548 20.04457 8.035131 14.44362 6.783151 5.600950       10.51544 
1 1 1 4   11 60 o 58.28550 4.005104 173.1933       22.71081 168.1538       31.72537 178.4901       32.52543 56.18314 5.854716 57.92837 5.814767 -1.745228      8.251619 
1 1 1 4   11 61 o 38.12151 5.552876 77.68977       20.11175 63.14436       28.11867 92.92464       28.77739 32.42938 8.685005 40.41619 7.551892 -7.986805      11.50914 
1 1 1 4   12 0  o 223.0899 4.516878 2436.951       98.63349 2439.000       197.5915 2436.271       113.8299 222.8355 9.077950 223.0407 5.213940 -0.2052307     10.46873 
1 1 1 4   12 1  o 923.3506 17.11417 42017.89       1546.780 41140.00       3044.942 42323.22       1795.728 903.5020 34.49389 925.6039 19.82025 -22.10187      39.78279 
1 1 1 4   12 2  o 531.7339 9.924445 13870.41       516.5435 13770.00       1026.808 13904.43       597.6763 527.5627 19.92002 532.1747 11.47375 -4.612061      22.98813 
1 1 1 4   12 3  o 1046.590 22.48604 54262.53       2303.541 55560.00       4057.876 53645.62       2798.089 1045.062 39.74134 1037.124 27.58738 7.938232       48.37807 
1 1 1 4   12 4  o 516.9631 11.16121 13119.38       564.7770 13740.00       1010.057 12837.08       681.2223 527.0306 19.61383 510.8104 13.63677 16.22018       23.88857 
1 1 1 4   12 5  o 622.9331 11.59208 19054.61       706.8203 18920.00       1403.859 19100.32       818.0746 617.2158 23.27873 623.3312 13.40812 -6.115417      26.86405 
1 1 1 4   12 6  o 490.6440 10.61094 11815.11       509.5967 12430.00       914.0748 11537.81       613.8411 501.4333 18.65607 484.3451 12.95941 17.08829       22.71553 
1 1 1 4   12 7  o 286.4596 6.434282 4020.349       180.4138 4291.000       325.1535 3899.961       216.8577 295.4090 11.26562 281.9551 7.865262 13.45392       13.73960 
1 1 1 4   12 8  o 347.7202 6.645798 5924.360       226.1951 6084.000       458.6205 5873.044       260.0208 351.5037 13.35390 346.1438 7.674417 5.359833       15.40205 
1 1 1 4   12 9  o 530.8182 11.46364 13839.64       595.6275 13880.00       1031.696 13819.46       729.4781 529.3112 19.94859 529.7655 14.08016 -0.4542847     24.41715 
1 1 1 4   12 10 o 177.3293 5.620641 1541.926       97.43699 1680.000       142.2861 1420.000       133.7071 184.9444 7.877912 169.9886 8.058738 14.95581       11.26964 
1 1 1 4   12 11 o 349.3701 6.675781 5981.787       228.2937 6305.982       334.4968 5699.097       312.3518 358.3354 9.545152 340.6646 9.376140 17.67087       13.37991 
1 1 1 4   12 12 o 181.4239 3.909535 1611.691       69.42660 1749.202       102.3612 1494.540       94.47982 188.8766 5.542694 174.5746 5.536064 14.30194       7.833866 
1 1 1 4   12 13 o 178.6287 3.872039 1562.479       67.70132 1599.572       96.49689 1526.521       95.00870 180.6056 5.464818 176.4267 5.508398 4.178955       7.759297 
1 1 1 4   12 14 o 127.5789 3.269697 797.4542       40.79758 831.2430       57.58113 763.3932       57.81254 130.1922 4.525324 124.7459 4.743309 5.446342       6.555726 
1 1 1 4   12 15 o 235.6584 4.745194 2720.682       109.4569 2842.136       158.5264 2610.024       151.3161 240.6448 6.736685 230.6036 6.710813 10.04121       9.508834 
1 1 1 4   12 16 o 43.63308 4.603693 94.30859       19.36599 110.1000       40.41297 89.60140       22.06437 46.52842 9.199650 42.41152 5.440094 4.116901       10.68776 
1 1 1 4   12 17 o 368.0804 7.026977 6648.829       253.1731 6597.642       355.3248 6701.612       360.8201 366.0332 9.926586 368.8908 10.00202 -2.857635      14.09175 
1 1 1 4   12 18 f 476.1702 10.36176 11170.20       482.9500 11262.90       594.3292 10990.00       828.6345 477.1783 12.73587 468.8457 18.09016 8.332642       22.12366 
1 1 1 4   12 19 o 156.2640 3.560022 1196.097       54.45251 1194.444       61.60954 1202.000       116.4004 156.0849 4.035946 156.2241 7.635147 -0.1392365     8.636222 
1 1 1 4   12 20 o 90.46608 2.994259 401.2408       26.47784 390.6577       28.86508 457.4000       66.49307 89.24617 3.310016 96.23823 7.108847 -6.992058      7.841678 
1 1 1 4   12 21 o 367.8806 8.118701 6657.869       292.3477 6302.201       343.1214 7600.000       558.4456 357.3621 9.818493 390.5304 14.63487 -33.16827      17.62334 
1 1 1 4   12 22 o 331.4813 9.090130 5419.811       294.6627 5663.000       426.6391 5198.000       407.4545 337.5066 12.93830 323.3480 12.89957 14.15854       18.27015 
1 1 1 4   12 23 o 269.6789 7.532698 3580.719       198.6452 3580.719       198.6452 0.000000       0.000000 269.6789 7.532698 ?        ?        ?              ?        
1 1 1 4   12 24 o 307.5265 6.897114 4650.017       207.6138 4650.017       207.6138 0.000000       0.000000 307.5265 6.897114 ?        ?        ?              ?        
1 1 1 4   12 25 o 92.85439 3.821861 423.3191       34.66205 427.4031       40.12115 411.3000       68.82799 93.25317 4.407928 91.06046 7.796948 2.192719       8.956686 
1 1 1 4   12 26 o 135.5334 3.371176 900.1418       44.72332 885.9326       49.93949 957.7000       100.5108 134.3833 3.800397 139.2756 7.399333 -4.892334      8.318242 
1 1 1 4   12 27 o 284.3955 6.461090 3978.217       179.8600 4033.660       220.8427 3869.000       309.9606 285.9123 7.898784 278.7879 11.38258 7.124451       13.85474 
1 1 1 4   12 28 o 212.6410 4.424786 2218.622       92.09698 2233.772       106.0104 2172.000       185.9633 213.2792 5.078009 209.3411 9.097131 3.938126       10.41844 
1 1 1 4   12 29 o 167.6920 4.486149 1381.256       73.57021 1438.894       90.50793 1269.000       126.3094 171.0177 5.413607 160.0690 8.087831 10.94876       9.732428 
1 1 1 4   12 30 o 104.7953 3.741373 539.3879       38.31615 501.5431       43.48849 670.7000       81.00717 100.9759 4.410617 116.3665 7.146428 -15.39066      8.397915 
1 1 1 4   12 31 o 114.4212 3.276868 642.5604       36.66266 621.6912       40.60290 734.7000       85.31525 112.5031 3.692112 121.7292 7.192262 -9.226089      8.084574 
1 1 1 4   12 32 o 71.49529 3.376419 251.3497       23.56195 259.1943       25.71996 210.4000       58.76398 72.57841 3.631940 64.24740 9.641629 8.331017       10.30301 
1 1 1 4   12 33 o 88.38253 3.236784 383.8379       27.95453 389.4756       30.97655 359.1000       64.88805 88.99265 3.563294 84.62946 7.925354 4.363182       8.689551 
1 1 1 4   12 34 o 87.15477 3.806307 374.0915       32.39311 397.6154       37.73500 308.2000       63.15440 89.78136 4.306458 78.10654 8.392046 11.67482       9.432498 
1 1 1 4   12 35 o 75.14590 3.834494 278.5249       28.11133 285.0022       32.18759 257.7000       57.71436 75.93357 4.348790 71.20650 8.444756 4.727074       9.498730 
1 1 1 4   12 36 f 42.49251 5.198266 90.63503       21.17137 77.62782       23.16484 156.6000       52.16678 39.04469 6.273702 54.64963 10.12492 -15.60494      11.91106 
1 1 1 4   12 37 o 129.8896 3.464927 830.9772       44.01357 864.5844       50.38867 722.8000       90.40341 132.3824 3.892857 119.6017 7.764163 12.78068       8.685423 
1 1 1 4   12 38 o 57.31388 5.196615 164.3984       28.83669 161.0998       33.65904 173.5000       55.91040 56.47176 6.190603 57.14761 10.37722 -0.6758461     12.08347 
1 1 1 4   12 39 o 85.10007 5.229099 361.4994       43.34718 337.2000       56.10023 397.5000       68.28442 81.50729 7.102590 88.13373 8.002563 -6.626434      10.69990 
1 1 1 4   12 40 o 30.43949 7.479929 48.80324       22.12456 48.80324       22.12456 0.000000       0.000000 30.43949 7.479929 ?        ?        ?              ?        
1 1 1 4   12 41 o 69.35156 3.605005 238.1751       24.38793 241.6664       30.82566 232.3331       39.87474 69.62074 4.548329 67.77092 6.075413 1.849823       7.589331 
1 1 1 4   12 42 o 32.23701 6.964079 54.63665       21.33173 56.77444       23.02440 41.68000       56.68278 32.77721 7.357384 31.92078 12.49292 0.8564301      14.49842 
1 1 1 4   12 43 o 36.14913 5.751711 67.20222       19.67054 72.73405       23.76818 55.17706       35.04346 37.32944 6.753404 32.11313 10.04157 5.216316       12.10130 
1 1 1 4   12 44 o 22.78011 7.360435 26.29434       18.69984 34.72332       22.87561 9.316715       32.46563 25.81651 8.118863 21.86318 9.120584 3.953325       12.21069 
1 1 1 4   12 45 o 41.80989 5.172780 89.26376       20.71834 96.80887       26.14569 76.53025       33.96577 43.12146 6.387290 37.12014 9.353452 6.001316       11.32628 
1 1 1 4   12 46 o 68.79659 3.742928 236.3103       25.10995 229.6901       32.20133 246.5809       40.10828 67.34248 4.919085 69.24416 5.976008 -1.901672      7.740159 
1 1 1 4   12 47 o 19.30984 7.067674 16.58586       17.43467 26.81860       21.14030 -5.173824      30.82773 23.02133 7.839015 18.85590 8.369743 4.165430       11.46747 
1 1 1 4   12 48 o 41.05482 4.847570 86.25201       19.10502 83.15909       23.56058 92.19058       32.64700 39.74215 6.263752 40.81407 8.450427 -1.071922      10.51876 
1 1 1 4   12 49 o 34.98819 5.626808 64.02924       18.61708 73.91814       23.97043 48.99567       29.55515 37.12527 6.848543 29.58417 9.217365 7.541105       11.48313 
1 1 1 4   12 50 o 40.06008 5.016429 82.73724       19.24031 66.99490       24.63113 107.3782       30.81615 34.96884 7.425762 44.56866 7.317603 -9.599823      10.42541 
1 1 1 4   12 51 o 23.87700 7.028241 30.90291       17.52625 30.67978       22.42022 31.25348       28.10341 24.05619 8.073269 24.79720 8.988675 -0.7410030     12.08197 
1 1 1 4   12 52 o 39.37549 5.565912 81.34910       20.85458 71.18102       24.82979 105.7000       38.42474 35.95180 7.305220 42.58007 9.464612 -6.628273      11.95597 
1 1 1 4   12 53 o 39.71928 5.116211 82.12347       19.42948 90.50170       25.41459 70.33935       30.14086 40.98816 6.555377 34.80808 8.833240 6.180077       10.99996 
1 1 1 4   12 54 o 41.99671 4.907561 91.29488       19.79389 125.1929       26.62227 49.39145       29.59938 48.84126 5.674172 29.18213 9.242896 19.65913       10.84561 
1 1 1 4   12 55 o 21.59275 7.171204 24.69386       17.69743 13.46033       23.59907 39.13000       26.75237 19.65449 7.938829 26.37943 8.818331 -6.724937      11.86541 
1 1 1 4   12 56 o 20.31146 7.532763 19.48377       19.91442 -14.76000      29.52670 48.05984       26.97276 16.79763 7.742750 28.78893 8.776746 -11.99130      11.70391 
1 1 1 4   12 57 o 25.88031 7.642515 37.69585       20.69595 12.12000       31.47405 57.17804       27.46986 21.14978 8.911637 31.28736 8.670324 -10.13758      12.43349 
1 1 1 4   12 58 f 20.39425 8.267470 15.09663       25.69817 0.000000       0.000000 15.09663       25.69817 ?        ?        20.39425 8.267470 ?              ?        
1 1 1 4   12 59 o 21.55587 8.006271 23.06438       22.51237 -4.250000      43.70486 32.92901       26.26483 21.36721 9.684266 24.49299 8.712611 -3.125780      13.02669 
1 1 1 4   12 60 f 45.41435 5.805965 110.3996       25.21967 122.2000       50.41355 106.4608       29.12614 42.48395 11.73526 43.74722 7.040730 -1.263271      13.68533 
1 1 1 4   13 0  o 406.8284 7.684011 8112.430       305.9888 8370.000       625.6368 8031.447       350.8092 411.9946 15.54189 404.6930 8.856030 7.301575       17.88798 
1 1 1 4   13 1  o 398.6458 8.709069 7792.734       339.8327 8086.000       603.9102 7656.837       411.0976 404.9869 15.26170 394.8240 10.64711 10.16296       18.60861 
1 1 1 4   13 2  o 410.9710 8.962559 8283.075       360.5367 8050.000       611.8973 8407.023       446.2202 404.0308 15.50116 413.6704 11.03002 -9.639679      19.02491 
1 1 1 4   13 3  o 925.9593 17.22065 42283.72       1560.802 47890.00       3411.496 40799.57       1755.281 972.5536 35.89806 908.4808 19.73898 64.07288       40.96704 
1 1 1 4   13 4  o 758.2599 14.07854 28285.04       1044.917 28540.00       2099.627 28201.11       1204.699 755.1879 28.45500 756.4803 16.26952 -1.292419      32.77780 
1 1 1 4   13 5  o 675.0519 17.83315 22506.51       1177.311 23730.00       1729.501 21450.00       1607.159 689.8486 25.65773 656.1017 25.07157 33.74683       35.87342 
1 1 1 4   13 6  o 503.2943 10.87716 12437.10       535.8506 13100.00       962.5551 12139.40       645.0466 514.4546 19.14833 496.6678 13.28033 17.78680       23.30291 
1 1 1 4   13 7  o 387.6034 7.352558 7363.937       278.9538 7464.000       561.2001 7331.101       321.4819 389.0606 14.76328 386.6402 8.494606 2.420410       17.03270 
1 1 1 4   13 8  o 654.7059 14.08656 21099.31       902.7289 20510.00       1529.360 21414.42       1118.334 641.3860 24.40490 658.3720 17.36894 -16.98596      29.95462 
1 1 1 4   13 9  o 137.4557 3.891340 925.8694       52.30354 848.9000       84.94603 972.8681       66.37843 131.4474 6.623487 140.8580 4.821476 -9.410583      8.192510 
1 1 1 4   13 10 o 307.5720 5.955059 4635.219       179.2829 4986.949       266.1057 4342.861       242.6090 318.7212 8.537452 297.4334 8.341419 21.28775       11.93597 
1 1 1 4   13 11 o 361.4647 6.912090 6405.338       244.5578 6260.070       338.6925 6563.583       353.4961 356.9194 9.703588 365.4469 9.891307 -8.527527      13.85632 
1 1 1 4   13 12 o 273.9894 5.380749 3678.188       144.3055 3814.321       208.7708 3553.642       199.6895 278.7480 7.658849 269.0543 7.590024 9.693665       10.78269 
1 1 1 4   13 13 o 239.6730 4.819557 2814.135       113.0661 2908.176       162.5354 2725.955       157.3880 243.4281 6.828106 235.6721 6.829922 7.756058       9.657684 
1 1 1 4   13 14 o 225.6241 4.588837 2493.876       101.3431 2562.165       145.2765 2429.144       141.4421 228.4871 6.502333 222.4720 6.502246 6.015167       9.195626 
1 1 1 4   13 15 o 173.1995 3.792114 1469.235       64.28863 1588.521       94.31023 1365.691       87.86705 179.9473 5.360331 166.8354 5.387675 13.11188       7.600012 
1 1 1 4   13 16 o 161.8184 3.638182 1282.509       57.62601 1328.914       82.33503 1237.949       80.68111 164.5800 5.117165 158.8354 5.196408 5.744537       7.293013 
1 1 1 4   13 17 o 306.3661 6.886371 4607.412       206.5082 4837.693       260.0154 4214.000       339.8550 313.5744 8.479122 291.8890 11.92022 21.68536       14.62830 
1 1 1 4   13 18 o 165.7246 3.701034 1345.424       60.03662 1306.656       82.72070 1388.574       87.27113 163.1636 5.186049 168.1943 5.307587 -5.030716      7.420619 
1 1 1 4   13 19 o 275.6368 5.422162 3726.389       146.2904 3833.372       171.2089 3437.000       281.5855 279.4654 6.258814 263.6265 10.93601 15.83884       12.60036 
1 1 1 4   13 20 o 84.31808 2.980313 348.6296       24.55869 344.6962       26.76303 369.6000       61.79472 83.82384 3.268093 86.40533 7.376912 -2.581490      8.068411 
1 1 1 4   13 21 f 226.8504 4.611934 2523.197       102.4068 2520.129       117.3379 2533.000       209.7788 226.6470 5.289104 226.4282 9.486106 0.2188873      10.86098 
1 1 1 4   13 22 o 162.1162 4.144933 1289.141       65.71944 1289.141       65.71944 0.000000       0.000000 162.1162 4.144933 ?        ?        ?              ?        
1 1 1 4   13 23 o 193.0259 4.673510 1827.398       88.30087 1827.398       88.30087 0.000000       0.000000 193.0259 4.673510 ?        ?        ?              ?        
1 1 1 4   13 24 o 143.3447 4.099773 1008.195       57.46473 1045.341       69.37511 927.0000       102.5686 145.8889 4.865004 136.9994 7.679474 8.889511       9.090796 
1 1 1 4   13 25 o 296.7623 6.692687 4331.170       194.4086 4574.259       244.7940 3916.000       319.9127 304.4929 8.220816 280.5628 11.67468 23.93005       14.27866 
1 1 1 4   13 26 o 176.7407 5.576371 1535.918       96.34975 1634.000       135.9710 1437.000       136.5491 181.9352 7.652341 170.4830 8.206896 11.45219       11.22103 
1 1 1 4   13 27 f 219.4521 5.288025 2365.540       113.5898 2505.978       142.9537 2125.000       187.0888 225.5761 6.481066 207.0242 9.255926 18.55188       11.29940 
1 1 1 4   13 28 o 214.7311 4.460056 2262.957       93.74355 2299.669       108.2678 2153.000       187.3727 216.3714 5.112026 208.3085 9.212311 8.062912       10.53563 
1 1 1 4   13 29 o 91.11472 3.968639 408.0875       35.30966 414.7268       41.28468 390.0000       68.14196 91.78491 4.610033 88.47920 7.952815 3.305710       9.192369 
1 1 1 4   13 30 o 183.0484 4.001790 1644.588       71.70119 1670.740       82.39508 1563.000       145.5338 184.4183 4.564477 177.3918 8.405451 7.026505       9.564835 
1 1 1 4   13 31 o 232.6140 4.763510 2660.749       108.4599 2714.370       125.8557 2506.000       213.8057 234.7678 5.476815 223.8539 9.781329 10.91382       11.21026 
1 1 1 4   13 32 o 209.6120 4.407727 2160.552       90.43508 2256.866       106.0605 1904.000       173.1003 214.0720 5.061599 195.0820 9.090130 18.98997       10.40434 
1 1 1 4   13 33 o 194.0639 4.177813 1852.433       79.35966 1900.537       91.95229 1712.000       157.1124 196.4149 4.782796 184.8323 8.708618 11.58264       9.935551 
1 1 1 4   13 34 o 146.0822 3.552303 1048.874       50.79412 1080.960       58.23950 946.9000       103.8263 148.1578 4.019651 137.5007 7.745614 10.65706       8.726519 
1 1 1 4   13 35 o 166.2008 3.805182 1359.568       61.90343 1408.197       71.68774 1217.000       122.7455 168.9498 4.338509 155.5136 8.091465 13.43614       9.181202 
1 1 1 4   13 36 o 114.6548 3.811305 648.2328       42.71379 642.7831       49.84348 663.3000       82.87737 114.0096 4.475125 114.7980 7.415235 -0.7883987     8.660973 
1 1 1 4   13 37 o 57.41918 4.236763 163.7208       23.64437 157.8411       26.12906 190.3000       55.55418 56.25937 4.790370 60.23117 9.756472 -3.971802      10.86906 
1 1 1 4   13 38 o 122.8062 3.944009 745.4314       47.34793 777.2783       56.24830 668.0000       87.70704 125.1851 4.598213 114.5716 7.868576 10.61349       9.113619 
1 1 1 4   13 39 o 34.11275 5.996843 59.84249       19.29322 59.84249       19.29322 0.000000       0.000000 34.11275 5.996843 ?        ?        ?              ?        
1 1 1 4   13 40 o 72.92649 5.582911 267.3332       39.54920 284.5000       51.18492 241.9000       62.30140 74.65764 7.089207 67.59599 9.693097 7.061646       12.00887 
1 1 1 4   13 41 o 31.04066 11.00507 47.15000       41.87359 47.15000       41.87359 0.000000       0.000000 31.04066 11.00507 ?        ?        ?              ?        
1 1 1 4   13 42 o 91.64046 3.458549 415.5668       30.96759 398.5843       39.29881 443.3870       50.29891 89.40408 4.505238 93.88917 5.497193 -4.485085      7.107482 
1 1 1 4   13 43 o 89.07713 3.506630 393.2513       30.51498 409.8206       39.17941 367.7012       48.65217 90.60246 4.431298 85.17408 5.871569 5.428375       7.356067 
1 1 1 4   13 44 o 95.13142 3.441268 448.8921       31.99134 458.2216       41.91905 435.8794       49.50701 95.67284 4.488788 92.80225 5.474387 2.870583       7.079416 
1 1 1 4   13 45 o 46.29915 4.760511 108.7383       21.26705 102.3984       26.52937 120.1388       35.57524 44.34572 6.287909 47.30597 7.965616 -2.960251      10.14834 
1 1 1 4   13 46 o 54.85088 4.053580 151.0853       21.60971 119.8384       26.64051 211.1982       36.95078 48.17846 5.763362 64.01893 5.965356 -15.84047      8.294686 
1 1 1 4   13 47 o 76.02827 3.458452 288.1270       25.66991 291.6530       32.73449 282.4958       41.36792 76.06158 4.415759 74.11182 5.747452 1.949768       7.247905 
1 1 1 4   13 48 o 20.68183 6.988158 21.47253       16.79745 15.35542       20.49858 33.97615       29.30681 19.64842 7.561410 25.79576 9.200423 -6.147337      11.90893 
1 1 1 4   13 49 o 38.18776 5.101143 75.32222       18.59119 82.36727       23.46925 63.45421       30.46115 39.45767 6.287435 33.37049 9.083922 6.087181       11.04760 
1 1 1 4   13 50 o 23.46398 6.955847 29.70512       17.11698 15.72556       21.48874 53.97340       28.31287 19.88158 7.717396 30.79165 8.896193 -10.91007      11.77711 
1 1 1 4   13 51 o 51.04919 4.423868 132.6806       21.88736 143.9484       26.28496 107.2000       39.52701 52.83509 5.147715 42.87617 9.651728 9.958916       10.93868 
1 1 1 4   13 52 o 45.35295 4.520376 105.3829       19.80021 111.1891       25.30632 96.21774       31.79486 45.98770 5.746981 41.35480 8.144551 4.632904       9.968024 
1 1 1 4   13 53 o 35.31292 5.563006 65.92284       18.59312 77.90572       23.75207 46.96012       29.87935 37.89476 6.645675 28.51261 9.310855 9.382147       11.43927 
1 1 1 4   13 54 o 29.53424 6.464332 47.63065       18.16780 81.79296       24.01558 1.919852       27.77979 38.89971 6.539005 18.63033 8.117275 20.26938       10.42347 
1 1 1 4   13 55 o 20.79980 7.128126 22.38114       17.48546 13.33898       23.31435 34.00586       26.43495 19.54066 7.891528 24.99169 8.753937 -5.451029      11.78591 
1 1 1 4   13 56 o 27.94414 6.790358 43.25215       18.38836 40.93188       24.87527 46.04768       27.30428 26.79750 8.471458 28.19392 8.870491 -1.396412      12.26586 
1 1 1 4   13 57 o 39.42871 5.230690 81.58345       19.68975 81.90332       26.73734 81.20444       29.10399 38.29532 7.400732 37.66082 8.133343 0.6344948      10.99646 
1 1 1 4   13 58 o 15.32585 6.544954 2.547754       17.36692 16.58765       24.07933 -12.67333      25.07179 20.34463 8.086362 15.55371 7.156837 4.790919       10.79859 
1 1 1 4   13 59 o 60.36929 4.377346 187.0567       25.69053 256.2000       43.32159 149.5514       31.90623 68.86208 6.504209 52.64454 6.317857 16.21755       9.067527 
1 1 1 4   13 60 o 36.53502 7.168404 75.40058       24.71926 108.1000       36.71580 48.29000       33.43123 42.28494 9.137840 28.11461 9.844672 14.17033       13.43197 
1 1 1 4   14 0  o 368.3563 9.950205 6663.825       358.4333 6283.000       486.2489 7117.000       530.4304 357.0652 13.93927 379.9945 14.28627 -22.92929      19.95998 
1 1 1 4   14 1  o 631.1368 13.57797 19595.54       838.8121 19070.00       1424.487 19874.49       1037.824 619.0078 23.55316 634.5576 16.72343 -15.54980      28.88640 
1 1 1 4   14 2  o 427.9949 8.067726 8981.508       337.9839 8804.000       666.2308 9043.023       392.1995 422.2823 16.14792 429.3252 9.332853 -7.042847      18.65094 
1 1 1 4   14 3  o 570.7686 10.64340 15995.47       594.6297 15410.00       1157.448 16205.40       693.0863 557.1596 21.26245 574.1854 12.33187 -17.02576      24.57981 
1 1 1 4   14 4  o 628.6979 16.62176 19512.92       1021.984 19210.00       1429.080 19830.00       1462.093 621.1055 23.54900 630.9860 23.71497 -9.880493      33.42088 
1 1 1 4   14 5  o 378.9427 10.18654 7054.537       377.4960 6922.000       527.1903 7194.000       540.7894 374.6551 14.40254 381.9380 14.49164 -7.282837      20.43137 
1 1 1 4   14 6  o 167.0432 4.376645 1367.371       71.49936 1563.000       129.2393 1281.086       85.83080 178.4033 7.417091 161.6257 5.433058 16.77765       9.194094 
1 1 1 4   14 7  o 361.3064 7.982880 6401.926       282.3199 0.000000       0.000000 6401.926       282.3199 ?        ?        361.3064 7.982880 ?              ?        
1 1 1 4   14 8  o 244.4829 4.907782 2927.705       117.4465 2886.000       230.3450 2942.355       136.5259 242.2523 9.733967 245.0594 5.691643 -2.807068      11.27586 
1 1 1 4   14 9  f 315.5822 7.032212 4882.952       217.2254 5287.000       395.7879 4708.773       259.8622 327.5349 12.36743 309.6487 8.581965 17.88617       15.05336 
1 1 1 4   14 10 o 269.2404 5.308033 3551.719       139.8879 3583.502       199.0773 3520.718       196.6084 270.1861 7.534891 267.8098 7.507547 2.376251       10.63663 
1 1 1 4   14 11 o 329.9815 6.345044 5338.240       204.9418 5677.496       302.0296 5048.746       279.0010 339.8805 9.086712 320.5222 8.901482 19.35837       12.72025 
1 1 1 4   14 12 o 29.51991 4.830435 43.80586       13.47521 38.29166       23.06877 46.66185       16.60206 27.66762 8.041021 30.34964 5.799967 -2.682016      9.914516 
1 1 1 4   14 13 f 259.8947 5.152331 3310.142       131.0713 3454.936       190.1073 3178.951       180.9566 265.2381 7.329481 254.4223 7.273762 10.81587       10.32613 
1 1 1 4   14 14 o 343.3075 6.584788 5781.938       221.2745 6023.079       321.2188 5564.176       305.2502 349.8413 9.388937 336.2612 9.283009 13.58017       13.20327 
1 1 1 4   14 15 o 234.0630 4.729784 2684.883       108.3628 2765.146       155.6018 2609.299       150.9982 237.2811 6.706272 230.4927 6.699921 6.788376       9.479610 
1 1 1 4   14 16 o 214.6223 5.147785 2258.296       108.1438 2344.683       134.0101 2097.000       183.1158 218.5077 6.272121 206.2395 9.093196 12.26814       11.04653 
1 1 1 4   14 17 o 219.7971 4.511534 2367.788       97.06271 2376.509       136.7166 2358.926       137.8249 219.9553 6.356770 219.1298 6.432656 0.8255005      9.043649 
1 1 1 4   14 18 o 130.4847 3.885905 834.9703       49.57627 844.4980       58.93081 811.9000       91.70143 131.1753 4.596804 128.3340 7.330584 2.841324       8.652633 
1 1 1 4   14 19 o 256.8832 5.107222 3236.405       128.4182 3296.774       149.2175 3064.000       252.1649 259.1790 5.881847 248.9201 10.37220 10.25891       11.92387 
1 1 1 4   14 20 o 351.8129 6.751958 6081.717       232.5133 6268.195       273.3735 5594.000       442.1066 356.9230 7.824845 335.1644 13.50370 21.75858       15.60699 
1 1 1 4   14 21 o 488.6205 10.65628 11808.55       509.6635 11808.55       509.6635 0.000000       0.000000 488.6205 10.65628 ?        ?        ?              ?        
1 1 1 4   14 22 o 101.4131 3.400027 504.4796       33.70296 504.4796       33.70296 0.000000       0.000000 101.4131 3.400027 ?        ?        ?              ?        
1 1 1 4   14 23 o 209.5463 4.372383 2153.254       89.68182 2211.482       103.9699 1984.000       177.2615 212.2957 5.003341 200.2909 9.065133 12.00484       10.35423 
1 1 1 4   14 24 o 198.2150 4.803279 1927.698       93.19240 1938.780       112.1677 1903.000       167.4543 198.5899 5.776519 196.1838 8.742167 2.406082       10.47825 
1 1 1 4   14 25 o 172.6286 4.398814 1462.746       74.26779 1561.099       91.19027 1269.000       127.9891 178.2352 5.232621 160.1895 8.189863 18.04572       9.718754 
1 1 1 4   14 26 f 195.9676 4.871910 1885.291       93.45224 2001.122       116.9831 1681.000       155.3584 201.6628 5.932852 184.2448 8.638616 17.41794       10.47971 
1 1 1 4   14 27 o 226.0922 4.638236 2509.221       102.6466 2536.683       118.3773 2426.000       206.0726 227.2192 5.322516 221.0539 9.546428 6.165344       10.92993 
1 1 1 4   14 28 o 229.8719 4.696687 2595.052       105.6778 2603.962       121.3058 2567.000       215.2366 230.1415 5.384933 227.1539 9.702669 2.987656       11.09682 
1 1 1 4   14 29 o 249.6830 5.026348 3064.623       122.8423 3056.672       140.7777 3090.000       251.4991 249.1837 5.771758 248.7370 10.35238 0.4466858      11.85264 
1 1 1 4   14 30 o 202.3922 4.274674 2012.155       84.68433 2042.128       97.48823 1920.000       170.9397 203.7792 4.887493 196.3059 8.919477 7.473312       10.17077 
1 1 1 4   14 31 o 77.04485 4.113193 292.4930       30.90666 284.1803       35.55428 318.2000       62.52385 75.84314 4.814116 79.61782 8.137167 -3.774681      9.454586 
1 1 1 4   14 32 o 189.3779 4.090907 1763.319       75.83244 1812.400       87.70857 1618.000       150.9198 191.8620 4.670322 179.8099 8.599778 12.05212       9.786118 
1 1 1 4   14 33 o 55.45760 3.451888 151.6802       18.64513 150.1351       19.90933 162.7000       53.17120 55.14052 3.710353 55.96841 10.07621 -0.8278961     10.73764 
1 1 1 4   14 34 o 124.6444 3.319374 764.0400       40.46211 786.4925       45.96161 686.7000       85.30324 126.3866 3.719295 117.0052 7.487541 9.381424       8.360409 
1 1 1 4   14 35 o 54.90675 3.565780 148.9627       19.06036 136.6823       20.29215 241.0000       55.55258 52.52206 3.976667 68.66711 8.442628 -16.14505      9.332301 
1 1 1 4   14 36 o 116.5937 3.281056 669.3643       37.40786 667.8556       41.68837 675.6000       84.75251 116.3752 3.664290 115.6634 7.526892 0.7117538      8.371447 
1 1 1 4   14 37 o 62.30157 3.543678 191.9004       21.52112 190.8382       23.05407 199.1000       60.02078 62.07919 3.812370 61.27014 10.37805 0.8090477      11.05614 
1 1 1 4   14 38 o 144.5838 4.031309 1034.010       56.99647 1034.010       56.99647 0.000000       0.000000 144.5838 4.031309 ?        ?        ?              ?        
1 1 1 4   14 39 o 46.56966 4.810544 108.8711       21.61296 104.5275       23.56321 131.9000       54.25614 45.47340 5.399100 48.91360 11.52301 -3.440193      12.72518 
1 1 1 4   14 40 o 72.93017 4.691159 265.4622       33.31073 245.1000       38.83974 322.1000       64.77644 69.72704 5.741570 78.69836 8.546061 -8.971313      10.29567 
1 1 1 4   14 41 o 46.44451 5.138576 108.9889       22.97031 125.9000       30.27148 86.03474       35.26776 49.56098 6.388483 39.89144 9.217347 9.669544       11.21482 
1 1 1 4   14 42 o 35.89724 8.960244 69.84425       31.38313 85.01000       43.11252 52.75000       45.77166 39.08616 10.87349 32.32137 11.50118 6.764793       15.82751 
1 1 1 4   14 43 o 18.91032 8.034622 3.253164       25.93923 42.10000       40.45683 -23.86330      33.80107 29.45879 10.76883 17.70094 8.203139 11.75785       13.53732 
1 1 1 4   14 44 f 46.38593 6.319478 111.6691       27.94744 90.21000       41.33619 129.7378       37.93037 39.85080 10.46500 49.19166 8.163562 -9.340858      13.27252 
1 1 1 4   14 45 o 51.53321 4.031504 133.3651       20.17402 111.5959       23.84806 188.1441       37.83015 46.66673 5.315473 60.12468 6.532946 -13.45796      8.422210 
1 1 1 4   14 46 o 49.00633 4.119376 120.9738       19.57739 123.4801       23.86170 115.8123       34.24329 49.18010 5.027509 46.30450 7.834320 2.875591       9.308728 
1 1 1 4   14 47 o 15.99076 6.472891 6.823211       15.72636 -2.073528      18.70267 28.29574       29.05561 15.14162 6.627465 24.46398 9.093904 -9.322358      11.25266 
1 1 1 4   14 48 o 16.16689 6.489168 7.649540       15.66043 2.766774       19.02136 17.92288       27.59081 16.21724 6.884949 21.86483 8.667074 -5.647589      11.06891 
1 1 1 4   14 49 o 17.75241 6.788940 12.55009       16.45376 7.357279       20.02240 23.35001       28.87521 17.51481 7.221497 23.17558 8.959623 -5.660767      11.50760 
1 1 1 4   14 50 o 23.25080 7.072359 29.14047       17.52729 31.57638       20.52490 22.58000       33.68357 24.18432 7.701129 23.79270 9.528253 0.3916149      12.25133 
1 1 1 4   14 51 o 16.65218 6.629996 9.152117       16.21366 11.46291       20.13484 4.890049       27.34498 18.40697 7.368366 19.10165 8.186314 -0.6946831     11.01402 
1 1 1 4   14 52 o 30.15568 6.166034 49.11090       17.58574 50.42379       21.99091 46.78202       29.28889 29.99917 7.507694 28.52304 9.211243 1.476135       11.88328 
1 1 1 4   14 53 o 37.59745 5.072779 73.69356       18.19268 66.10085       23.38325 85.33839       28.95829 34.58675 7.143590 38.98965 7.859570 -4.402908      10.62091 
1 1 1 4   14 54 o 20.44040 7.150041 21.19045       17.63182 28.70731       23.65309 11.78994       26.45119 23.35808 8.272142 19.98109 8.275196 3.376995       11.70074 
1 1 1 4   14 55 o 28.39543 6.700465 44.52795       18.32100 54.05045       24.57828 32.62064       27.48418 30.70242 8.072900 24.70437 8.897960 5.998051       12.01438 
1 1 1 4   14 56 o 49.16072 4.367647 123.7336       20.79852 117.0586       28.42206 131.4286       30.51661 46.67661 6.388297 49.44680 6.459378 -2.770191      9.084817 
1 1 1 4   14 57 o 52.49347 4.261459 140.8761       21.70810 140.4635       30.08294 141.3243       31.35641 51.29876 6.111118 51.26734 6.386656 0.3141785E-01  8.839408 
1 1 1 4   14 58 o 22.38527 7.354271 27.35049       18.62869 41.42038       26.43247 13.46542       26.25829 26.73696 8.758965 20.10153 8.277133 6.635429       12.05116 
1 1 1 4   14 59 o 35.48106 6.513806 69.34517       21.78894 88.29719       28.76690 43.84000       33.37178 39.29373 7.754803 27.25673 9.806388 12.03700       12.50209 
1 1 1 4   14 60 o 36.41129 7.259124 75.19614       24.96359 79.17017       29.27665 64.61000       47.78315 36.59301 8.357560 31.15687 11.64620 5.436148       14.33467 
1 1 1 4   15 0  o 186.2128 5.666825 1700.357       103.1692 1759.000       148.7518 1646.000       143.2123 189.2157 8.049934 183.0291 8.013232 6.186584       11.35840 
1 1 1 4   15 1  o 313.9656 7.015497 4831.972       215.5990 4693.000       365.7690 4905.964       266.8926 308.7004 12.12857 316.1155 8.633589 -7.415070      14.88761 
1 1 1 4   15 2  o 114.7153 3.749038 645.0294       42.04009 597.5000       71.42770 670.2209       52.00102 110.2133 6.652010 116.8951 4.553451 -6.681862      8.061213 
1 1 1 4   15 3  o 299.4166 6.718823 4394.165       196.9134 4285.000       335.0717 4451.756       243.3744 295.0097 11.62643 301.1447 8.264266 -6.134918      14.26436 
1 1 1 4   15 4  o 663.8877 14.29619 21720.86       929.0114 22410.00       1643.320 21397.17       1126.255 669.0786 25.13690 657.5603 17.51386 11.51831       30.63656 
1 1 1 4   15 5  o 123.5326 3.933536 748.0248       47.50255 714.2000       76.86741 768.9239       60.42094 120.5338 6.539687 125.1928 4.940324 -4.659027      8.195993 
1 1 1 4   15 6  o 158.0079 5.128889 1224.372       79.21957 0.000000       0.000000 1224.372       79.21957 ?        ?        158.0079 5.128889 ?              ?        
1 1 1 4   15 7  o 398.5799 7.557933 7792.519       294.8659 8250.000       612.0845 7654.264       336.4844 408.4135 15.33831 394.8842 8.705403 13.52933       17.63655 
1 1 1 4   15 8  o 472.9552 8.887353 10983.43       411.4326 11240.00       834.6186 10901.06       472.8824 475.7333 17.95554 470.9228 10.25882 4.810547       20.67957 
1 1 1 4   15 9  o 182.8546 4.539169 1637.879       81.24346 1640.000       139.4516 1636.789       99.95942 182.6443 7.818387 182.6653 5.597244 -0.2096558E-01 9.615420 
1 1 1 4   15 10 o 108.8596 3.089202 580.7021       32.88364 576.3596       46.39973 585.0840       46.60996 108.3825 4.382751 109.2018 4.369384 -0.8193665     6.188702 
1 1 1 4   15 11 o 206.5138 4.286943 2089.180       86.65688 2128.684       123.7465 2051.167       121.3901 208.2719 6.076601 204.4417 6.072805 3.830231       8.590927 
1 1 1 4   15 12 o 221.4337 4.514521 2402.402       97.85017 2440.200       139.5363 2365.830       137.2540 222.9528 6.400555 219.5269 6.394318 3.425949       9.047342 
1 1 1 4   15 13 o 217.0440 4.445858 2308.230       94.45165 2266.733       132.0027 2351.766       135.2044 214.8680 6.283068 218.8606 6.317886 -3.992661      8.910254 
1 1 1 4   15 14 o 92.22187 2.972435 416.9079       26.79692 438.6446       38.88106 397.2413       36.98326 94.52399 4.212913 89.94318 4.212490 4.580811       5.957659 
1 1 1 4   15 15 o 76.03319 2.984413 283.5412       22.16787 286.4406       32.02295 280.8734       30.71795 76.33369 4.303295 75.59643 4.167430 0.7372589      5.990477 
1 1 1 4   15 16 o 84.57095 3.039402 350.7278       25.11937 323.4384       34.76981 380.5210       36.32981 81.11825 4.395446 88.01763 4.229217 -6.899384      6.099690 
1 1 1 4   15 17 o 260.8500 6.016664 3339.422       153.6218 3609.441       196.2359 2912.000       246.8931 270.8963 7.407591 242.6922 10.41740 28.20406       12.78259 
1 1 1 4   15 18 f 140.1537 3.401981 962.2897       46.67054 975.4302       65.57584 948.8020       66.43680 140.9624 4.759461 139.0110 4.890243 1.951385       6.823997 
1 1 1 4   15 19 o 252.2527 7.249451 3131.341       178.8119 3218.000       256.1727 3049.000       249.7076 255.0212 10.28352 248.2192 10.29994 6.801956       14.55472 
1 1 1 4   15 20 o 336.2146 13.20884 5632.000       433.8519 5632.000       433.8519 0.000000       0.000000 336.2146 13.20884 ?        ?        ?              ?        
1 1 1 4   15 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   15 22 o 84.84043 5.275946 354.6538       43.59683 355.8000       58.30277 353.2000       65.66161 84.74944 7.093238 84.28989 8.056390 0.4595490      10.73403 
1 1 1 4   15 23 o 329.2654 7.353852 5337.528       237.0103 5633.465       298.9758 4837.000       388.8224 337.6384 9.054618 311.3454 12.78579 26.29303       15.66725 
1 1 1 4   15 24 o 135.7748 4.843303 905.8716       64.26447 953.7000       85.42173 843.5000       97.54807 139.1288 6.288822 130.6084 7.663978 8.520477       9.913921 
1 1 1 4   15 25 o 221.1544 4.547710 2400.115       98.44520 2485.857       115.0033 2165.000       190.4375 224.9740 5.222423 208.9448 9.334966 16.02917       10.69651 
1 1 1 4   15 26 o 210.8535 6.402960 2190.210       131.9971 2092.000       180.5390 2303.000       193.4760 205.4105 9.001143 215.4795 9.194205 -10.06895      12.86678 
1 1 1 4   15 27 f 356.4482 6.861361 6263.944       239.3938 6347.042       278.0714 6026.000       470.5425 358.3675 7.927230 345.4364 13.94499 12.93103       16.04069 
1 1 1 4   15 28 o 222.7259 4.588437 2436.706       100.0326 2490.840       115.8434 2278.000       198.3511 225.0579 5.258607 213.8737 9.498516 11.18417       10.85701 
1 1 1 4   15 29 o 57.04076 3.226739 160.0731       17.94240 160.4980       18.95178 156.4000       55.72179 57.09965 3.406348 55.01528 10.73303 2.084366       11.26060 
1 1 1 4   15 30 o 177.6148 4.624095 1552.618       80.32349 1593.156       98.06921 1470.000       140.0038 179.6918 5.582456 171.7361 8.353662 7.955750       10.04726 
1 1 1 4   15 31 o 184.6357 4.010956 1675.586       72.48859 1681.995       82.55127 1654.000       151.5008 184.8725 4.561894 181.8896 8.533229 2.982971       9.676098 
1 1 1 4   15 32 o 95.30083 3.834746 447.2483       35.69864 426.9788       41.09353 509.6000       72.07348 92.99892 4.527897 100.9424 7.344755 -7.943466      8.628284 
1 1 1 4   15 33 o 80.71384 3.023607 320.3423       23.84575 312.0117       25.74267 370.7000       63.29230 79.61864 3.310404 85.81673 7.613753 -6.198090      8.302290 
1 1 1 4   15 34 o 55.52164 3.328108 152.1030       18.00395 148.3888       19.13747 180.7000       53.10176 54.80083 3.587448 58.99609 9.519547 -4.195259      10.17308 
1 1 1 4   15 35 o 148.7743 3.541416 1089.720       51.57166 1091.006       58.17177 1085.000       111.4701 148.6879 4.000600 146.6007 7.796159 2.087234       8.762699 
1 1 1 4   15 36 o 45.24092 4.046167 101.8481       17.72871 101.8481       17.72871 0.000000       0.000000 45.24092 4.046167 ?        ?        ?              ?        
1 1 1 4   15 37 o 60.78522 3.691556 182.9540       21.86057 182.9540       21.86057 0.000000       0.000000 60.78522 3.691556 ?        ?        ?              ?        
1 1 1 4   15 38 o 89.95892 3.158351 399.1328       27.76749 379.7737       30.02009 513.8000       73.06154 87.66888 3.505394 100.3845 7.489579 -12.71558      8.269316 
1 1 1 4   15 39 o 60.93666 3.937760 184.4736       23.36161 180.6283       25.54784 204.1000       57.71813 60.19319 4.365786 61.86862 9.861741 -1.675426      10.78490 
1 1 1 4   15 40 o 71.44057 3.448391 252.6150       24.04269 250.0930       26.01256 267.4000       62.98292 71.00826 3.755912 71.15339 9.262847 -0.1451340     9.995359 
1 1 1 4   15 41 o 38.48640 4.938145 75.08512       18.17463 63.01035       21.10886 109.6876       35.73376 34.78523 6.436610 45.44300 8.340791 -10.65777      10.53559 
1 1 1 4   15 42 o 64.53059 4.242438 208.0700       26.64844 202.0000       35.72867 215.6804       40.00624 62.99690 5.861421 64.88599 6.381464 -1.889088      8.664833 
1 1 1 4   15 43 o 40.55808 6.287270 85.56673       24.15270 63.24000       28.15977 147.7000       46.97627 34.04011 8.482431 51.84217 9.611226 -17.80206      12.81902 
1 1 1 4   15 44 o 21.42574 7.387160 22.42861       18.78799 1.733000       22.33454 72.51884       34.74676 17.30812 7.407614 35.87941 9.674538 -18.57129      12.18480 
1 1 1 4   15 45 o 38.72166 5.653684 77.79140       20.79670 56.58000       25.95571 115.8268       34.75698 32.03297 8.233476 46.28684 7.958292 -14.25388      11.45096 
1 1 1 4   15 46 o 41.44230 6.091153 89.96257       23.97202 73.13000       33.44122 107.7550       34.38144 35.83679 9.413589 44.33693 8.225087 -8.500137      12.50071 
1 1 1 4   15 47 o 41.61518 5.990828 90.68872       23.70090 98.74000       34.86227 83.76958       32.31839 42.02563 8.759304 38.63659 8.749603 3.389038       12.38067 
1 1 1 4   15 48 o 23.26627 8.127598 27.47051       22.77809 49.88000       34.40488 9.982503       30.39304 29.80359 10.00090 20.95636 8.789216 8.847231       13.31421 
1 1 1 4   15 49 o 17.41376 6.773326 11.30380       16.57917 16.79164       19.06683 -5.707000      33.56913 19.59006 7.349715 19.34520 8.650807 0.2448597      11.35142 
1 1 1 4   15 50 o 43.38494 4.510406 96.23861       18.87481 102.1862       23.85203 86.27497       30.87196 44.20705 5.640534 39.16000 8.311510 5.047043       10.04474 
1 1 1 4   15 51 o 56.74720 4.456286 164.3377       24.55433 177.6166       27.76647 116.7000       52.59130 58.77833 4.869779 42.43907 12.08180 16.33926       13.02631 
1 1 1 4   15 52 o 13.76047 6.106612 -3.455610      16.40115 5.876311       20.92099 -18.33652      26.41870 17.31101 7.278209 15.38652 7.171753 1.924487       10.21794 
1 1 1 4   15 53 o 22.25629 7.117440 26.67682       17.51682 39.99802       22.55618 6.435999       27.80402 26.62817 8.006769 19.38473 8.279892 7.243444       11.51803 
1 1 1 4   15 54 o 33.28128 5.920428 59.38401       18.57985 53.47804       24.35800 67.60165       28.73224 30.56966 8.035995 34.10188 8.608159 -3.532223      11.77615 
1 1 1 4   15 55 o 23.83804 7.130970 31.42899       17.92605 49.78335       24.09457 8.674587       26.82762 29.44082 8.105377 19.45645 8.214427 9.984369       11.54010 
1 1 1 4   15 56 f 27.19991 6.978027 41.35074       18.66787 54.70456       25.49952 25.92778       27.40394 30.70682 8.291245 23.03798 8.773299 7.668842       12.07127 
1 1 1 4   15 57 o 20.37617 7.230645 21.01498       18.07982 32.15526       25.19846 9.194981       25.95581 24.29105 8.543779 19.26892 8.104430 5.022137       11.77616 
1 1 1 4   15 58 o 32.57742 6.858741 59.16319       21.17825 70.92494       27.37825 41.64000       33.41768 34.93536 8.155393 26.88720 9.793646 8.048168       12.74464 
1 1 1 4   15 59 o 34.34368 7.551183 67.72344       24.69188 78.59932       29.02987 39.27000       46.95484 36.52754 8.307549 27.07040 11.09908 9.457144       13.86380 
1 1 1 4   16 0  o 315.5772 6.105844 4881.219       188.6069 4463.000       355.0389 5045.643       222.6163 300.8716 12.08015 320.7659 7.090267 -19.89432      14.00721 
1 1 1 4   16 1  o 215.2627 5.158549 2270.250       108.6932 2145.000       181.1664 2340.690       135.8619 208.8362 8.882981 218.4243 6.361410 -9.588104      10.92588 
1 1 1 4   16 2  o 329.0641 8.993763 5320.770       289.4147 5359.000       410.5397 5283.000       408.0601 329.5833 12.74981 327.2315 12.76429 2.351776       18.04119 
1 1 1 4   16 3  o 400.3126 10.79765 7886.188       422.7054 8832.000       645.2186 7175.000       559.4956 422.4046 15.63226 380.8297 15.03884 41.57492       21.69180 
1 1 1 4   16 4  o 46.87219 7.482411 110.4486       33.17553 0.000000       0.000000 110.4486       33.17553 ?        ?        46.87219 7.482411 ?              ?        
1 1 1 4   16 5  o 590.9330 11.04661 17181.41       638.9595 17930.00       1314.208 16949.68       731.1993 598.3196 22.48008 586.4225 12.73852 11.89709       25.83842 
1 1 1 4   16 6  o 312.7645 6.058999 4795.494       185.4917 4768.000       368.0275 4804.857       214.7655 310.8614 12.11825 312.9816 7.010346 -2.120178      13.99989 
1 1 1 4   16 7  o 274.0406 5.405923 3680.502       145.0077 3833.000       295.7110 3632.223       166.3858 278.8687 10.85405 272.1743 6.245440 6.694427       12.52261 
1 1 1 4   16 8  o 155.0187 3.598676 1176.858       54.60508 1131.000       104.1680 1194.234       64.12103 151.6688 7.035854 156.0843 4.200781 -4.415573      8.194498 
1 1 1 4   16 9  o 187.3647 4.675461 1720.096       85.74688 1863.354       108.4338 1481.000       140.0852 194.8743 5.690747 173.4475 8.275085 21.42674       10.04299 
1 1 1 4   16 10 o 109.9448 3.101833 592.3873       33.34763 576.8082       46.55431 608.8053       47.79136 108.4141 4.396120 111.3856 4.392039 -2.971489      6.214168 
1 1 1 4   16 11 o 165.0700 3.671611 1334.642       59.32406 1375.977       85.17854 1295.705       82.67142 167.4578 5.202906 162.4948 5.204394 4.962967       7.359072 
1 1 1 4   16 12 o 217.4228 4.456752 2316.557       94.84837 2276.282       132.5899 2358.767       135.7372 215.2957 6.298483 219.1609 6.334106 -3.865143      8.932625 
1 1 1 4   16 13 o 131.3286 3.291143 845.2593       42.27366 830.1835       58.88157 861.2961       60.72921 130.0633 4.632468 132.4766 4.690706 -2.413284      6.592608 
1 1 1 4   16 14 o 284.8090 5.574343 3978.865       155.4009 3992.186       219.9117 3965.579       219.6287 284.8563 7.894695 283.9016 7.911133 0.9546509      11.17641 
1 1 1 4   16 15 o 272.7494 5.366943 3648.861       143.2838 3745.195       205.9035 3558.412       199.5151 275.9134 7.631363 268.9480 7.586393 6.965363       10.76063 
1 1 1 4   16 16 o 142.4436 3.388812 993.9562       47.24945 934.9640       64.61077 1061.772       69.27435 138.0051 4.790298 147.0744 4.818544 -9.069244      6.794507 
1 1 1 4   16 17 o 260.7010 6.007843 3336.756       153.3089 3530.156       193.2104 3008.000       251.9067 267.8368 7.376794 246.5259 10.46308 21.31088       12.80208 
1 1 1 4   16 18 o 93.23918 3.006681 426.2686       27.40462 374.5697       36.61166 492.1433       41.32739 87.30480 4.297459 100.1077 4.227105 -12.80285      6.027982 
1 1 1 4   16 19 o 222.4382 9.306216 2446.000       202.1753 2446.000       202.1753 0.000000       0.000000 222.4382 9.306216 ?        ?        ?              ?        
1 1 1 4   16 20 o 436.5232 11.84619 9465.516       505.6972 9830.000       733.3090 9135.000       698.3023 441.4295 17.00326 425.6736 16.79243 15.75592       23.89763 
1 1 1 4   16 21 o 204.5017 6.240492 2057.162       124.7710 1997.000       171.3889 2125.000       181.9938 200.9992 8.732119 207.2914 8.990896 -6.292252      12.53340 
1 1 1 4   16 22 o 159.4535 7.880199 1256.000       122.6111 0.000000       0.000000 1256.000       122.6111 ?        ?        159.4535 7.880199 ?              ?        
1 1 1 4   16 23 o 79.16248 5.439691 309.2278       41.89400 333.7000       59.45814 285.1000       59.03821 81.96220 7.494086 75.60351 8.104154 6.358688       11.03805 
1 1 1 4   16 24 o 222.4659 6.646753 2438.372       144.5746 2780.000       220.3153 2180.000       191.5979 236.7389 9.527014 209.6457 9.360415 27.09317       13.35595 
1 1 1 4   16 25 o 81.68851 5.515708 329.4460       43.84447 360.3000       59.03722 291.5000       65.47169 85.20594 7.144363 76.24783 8.942145 8.958115       11.44569 
1 1 1 4   16 26 o 215.9461 6.564827 2299.778       138.6022 2214.000       189.7030 2398.000       202.9981 211.1012 9.202841 219.6199 9.465311 -8.518723      13.20168 
1 1 1 4   16 27 o 38.88391 9.593570 78.11697       36.28549 46.00000       47.91526 121.3000       55.56013 32.74963 11.75448 48.26264 11.84961 -15.51301      16.69075 
1 1 1 4   16 28 o 77.53001 5.913061 297.8904       44.53482 335.9000       61.93567 257.2000       64.08268 81.99612 7.811131 71.29074 9.413145 10.70538       12.23197 
1 1 1 4   16 29 o 174.8655 5.768272 1509.521       98.59644 1615.000       142.6354 1413.000       136.4435 180.1301 8.110546 168.3971 8.303350 11.73300       11.60718 
1 1 1 4   16 30 o 149.8870 3.511893 1103.078       51.52424 1096.951       57.74763 1127.000       114.0980 149.3542 3.953599 150.3689 7.778442 -1.014664      8.725543 
1 1 1 4   16 31 o 170.8367 3.808576 1434.725       63.68688 1420.705       71.72042 1487.000       138.4899 169.8388 4.317696 172.3392 8.233526 -2.500443      9.296960 
1 1 1 4   16 32 o 112.0415 3.123480 616.9859       34.22157 608.4706       37.60668 658.0000       82.53352 111.2117 3.458888 114.6144 7.396216 -3.402710      8.165042 
1 1 1 4   16 33 o 70.97803 3.013254 247.9177       20.88703 243.8287       22.32143 276.7000       59.22154 70.35767 3.249968 73.71593 8.354662 -3.358261      8.964523 
1 1 1 4   16 34 o 84.98099 3.016584 355.3682       25.05267 359.7935       27.19054 330.5000       64.45645 85.47110 3.256021 80.52354 8.296423 4.947556       8.912480 
1 1 1 4   16 35 o 64.00011 3.323084 202.1776       20.74618 202.1776       20.74618 0.000000       0.000000 64.00011 3.323084 ?        ?        ?              ?        
1 1 1 4   16 36 o 91.44034 3.359452 412.4544       30.01744 412.4544       30.01744 0.000000       0.000000 91.44034 3.359452 ?        ?        ?              ?        
1 1 1 4   16 37 o 30.95554 4.956731 48.76815       14.51240 46.10896       15.10062 80.92000       52.50766 29.99449 5.339094 38.73174 12.31574 -8.737251      13.42324 
1 1 1 4   16 38 o 104.5253 3.547462 540.0088       36.24229 518.9000       40.60548 622.7000       80.36799 102.3029 4.063076 110.4403 7.478566 -8.137344      8.511024 
1 1 1 4   16 39 o 96.05262 3.160513 455.3642       29.67436 436.1820       32.16792 564.9000       76.86906 93.91444 3.505478 105.0151 7.528080 -11.10069      8.304237 
1 1 1 4   16 40 o 19.61428 6.406851 18.89052       14.14708 19.55488       14.67430 10.14000       53.25663 19.95015 6.525675 26.91379 11.47648 -6.963640      13.20205 
1 1 1 4   16 41 o 27.70167 6.270262 40.31421       16.60436 44.68027       17.43855 -2.074000      54.33601 29.18350 6.290270 25.56888 11.24070 3.614624       12.88102 
1 1 1 4   16 42 o 45.04852 4.195137 101.9127       18.28572 97.79135       21.08686 114.4078       36.71635 43.88758 4.997604 46.12915 8.442657 -2.241570      9.810938 
1 1 1 4   16 43 o 19.49001 6.557143 18.59222       14.78947 14.68401       16.40782 35.52367       34.15143 18.55712 6.845546 27.07531 9.894654 -8.518185      12.03186 
1 1 1 4   16 44 o 38.41027 4.887019 75.47954       17.95828 67.39846       19.55815 118.9000       45.33570 35.96759 5.748811 45.51698 10.40332 -9.549397      11.88603 
1 1 1 4   16 45 o 50.00370 3.961051 125.7115       19.22909 117.2564       22.68020 147.3271       36.26361 47.94495 4.901694 52.64344 7.228171 -4.698490      8.733445 
1 1 1 4   16 46 o 93.64103 3.304315 436.3995       30.23936 407.6657       38.00941 485.9469       49.91194 89.96741 4.328884 97.61063 5.243217 -7.643219      6.799306 
1 1 1 4   16 47 o 32.12379 6.474879 55.29370       19.65536 43.94000       24.92227 73.97582       31.96921 28.15082 8.405077 36.05976 9.067773 -7.908945      12.36405 
1 1 1 4   16 48 o 41.07335 5.830545 88.47991       22.78308 91.90000       27.76477 81.43000       39.86272 41.22445 7.139161 36.94064 10.51931 4.283802       12.71312 
1 1 1 4   16 49 o 18.76551 7.269172 13.87795       19.03528 20.00000       24.62717 4.792448       30.00132 21.54440 8.288771 19.86593 8.545220 1.678465       11.90481 
1 1 1 4   16 50 f 30.24718 11.85210 49.83000       51.06800 0.000000       0.000000 49.83000       51.06800 ?        ?        30.24718 11.85210 ?              ?        
1 1 1 4   16 51 o 29.76398 7.764516 50.03520       22.85424 10.42000       36.76065 74.99410       29.17864 22.12598 9.487215 36.19789 8.398020 -14.07191      12.67020 
1 1 1 4   16 52 o 61.53630 4.494371 193.5313       26.88448 223.2000       43.59124 175.3188       34.15347 64.21245 7.051311 57.50033 6.164282 6.712116       9.365862 
1 1 1 4   16 53 o 29.01644 7.629088 47.66983       21.95109 47.67000       33.77230 47.66970       28.88464 28.60601 9.902238 28.60275 9.138872 0.3269196E-02  13.47491 
1 1 1 4   16 54 o 37.56901 6.564437 76.76913       23.26161 97.00000       36.82267 63.33406       30.00736 40.32238 9.488746 32.70724 9.061225 7.615139       13.12029 
1 1 1 4   16 55 o 29.98147 6.463864 49.28198       18.41026 68.43838       24.68764 25.28262       27.63265 34.92654 7.448777 22.96335 8.793898 11.96319       11.52462 
1 1 1 4   16 56 o 21.53295 7.217195 24.75507       17.91806 60.13944       24.56634 -15.46608      26.19159 32.41557 7.830969 15.56757 7.216727 16.84800       10.64919 
1 1 1 4   16 57 o 50.60120 4.676805 132.3874       22.90214 133.5118       28.65730 130.4000       38.10031 50.00272 5.973116 47.49889 8.507246 2.503834       10.39478 
1 1 1 4   16 58 o 25.62247 8.096810 37.87772       22.72574 30.59116       25.96341 61.75000       46.99454 23.74300 8.634876 30.91297 11.55077 -7.169971      14.42156 
1 1 1 4   16 59 o 23.61318 7.309263 31.62209       18.61901 54.15309       26.88439 10.85445       25.81093 29.95857 8.672878 19.29343 8.096206 10.66514       11.86454 
1 1 1 4   17 0  o 281.8489 6.393516 3895.537       176.3853 3622.000       290.8320 4054.692       221.8417 271.0329 10.98537 287.2924 7.896325 -16.25946      13.52887 
1 1 1 4   17 1  o 316.7659 7.082527 4922.787       219.6003 4603.000       363.0168 5107.349       275.7836 305.3431 12.17036 322.3258 8.749211 -16.98276      14.98887 
1 1 1 4   17 2  o 299.9424 6.760494 4412.922       198.4827 4244.000       333.7387 4505.366       246.8906 293.2730 11.64912 302.7776 8.338510 -9.504547      14.32595 
1 1 1 4   17 3  o 402.6235 10.86769 7986.214       427.9031 0.000000       0.000000 7986.214       427.9031 ?        ?        402.6235 10.86769 ?              ?        
1 1 1 4   17 4  o 340.5032 6.546464 5686.839       218.1897 5517.000       425.6975 5747.354       254.1049 334.0474 13.04435 342.1815 7.586655 -8.134186      15.09014 
1 1 1 4   17 5  o 397.1624 7.542667 7743.154       293.2238 7998.000       598.1384 7662.534       336.4222 401.5114 15.24710 394.8929 8.703605 6.618530       17.55639 
1 1 1 4   17 6  o 276.8582 5.461080 3757.527       147.9933 3997.000       305.7998 3684.286       169.1172 284.6255 10.99702 274.0721 6.304009 10.55350       12.67576 
1 1 1 4   17 7  o 164.2227 4.261863 1322.170       68.44974 1221.000       112.6300 1381.422       86.19394 157.5387 7.324043 167.7911 5.254571 -10.25238      9.013996 
1 1 1 4   17 8  o 365.8094 8.082135 6574.962       289.3925 7560.000       550.6309 6199.040       340.1602 390.3253 14.43699 354.7367 9.805914 35.58856       17.45230 
1 1 1 4   17 9  o 292.9903 5.714763 4210.005       163.8920 4505.193       242.3707 3961.316       222.4633 302.6490 8.189057 283.8093 8.016057 18.83969       11.45940 
1 1 1 4   17 10 o 209.0452 4.328126 2141.416       88.56179 2238.202       128.3706 2053.512       122.3376 213.4932 6.149335 204.4911 6.118829 9.002121       8.674929 
1 1 1 4   17 11 o 110.8329 3.108373 602.0735       33.68829 588.4995       47.11152 616.2772       48.19173 109.4937 4.404727 112.0522 4.402422 -2.558548      6.227595 
1 1 1 4   17 12 o 196.1148 4.131944 1884.692       79.31787 1929.238       113.3465 1841.945       111.0341 198.2090 5.848622 193.6672 5.864010 4.541840       8.282089 
1 1 1 4   17 13 o 260.8574 5.165290 3337.116       131.8876 3438.012       189.9530 3243.203       183.2615 264.3944 7.346978 256.7970 7.298201 7.597473       10.35576 
1 1 1 4   17 14 o 139.5226 3.359917 953.5899       45.88590 1084.950       68.77986 848.2322       61.59751 148.6808 4.732095 131.4403 4.795757 17.24059       6.737359 
1 1 1 4   17 15 o 213.8359 4.405709 2241.641       92.21523 2337.677       133.4740 2153.938       127.5516 218.0936 6.258884 209.3438 6.231653 8.749756       8.832164 
1 1 1 4   17 16 o 83.96489 2.941522 345.7352       24.13819 341.4210       34.79320 349.7385       33.51574 83.34475 4.279236 84.37339 4.070241 -1.028641      5.905821 
1 1 1 4   17 17 o 68.19315 3.168181 228.3013       21.08961 251.7242       29.29434 203.1000       30.38602 71.53422 4.202240 64.16283 4.874682 7.371384       6.435942 
1 1 1 4   17 18 o 86.29088 3.206680 365.2999       27.03776 403.5011       36.30061 317.7000       40.52087 90.63107 4.102591 80.29590 5.183290 10.33517       6.610427 
1 1 1 4   17 19 o 181.7742 5.813289 1624.470       103.3003 1598.000       142.2538 1654.000       150.2513 179.9021 8.099100 182.9707 8.411901 -3.068634      11.67714 
1 1 1 4   17 20 o 257.3036 7.412352 3262.242       186.4899 3375.000       268.4044 3157.000       259.3040 260.8233 10.53493 252.2486 10.52518 8.574661       14.89175 
1 1 1 4   17 21 o 219.9722 9.478114 2397.000       203.5990 0.000000       0.000000 2397.000       203.5990 ?        ?        219.9722 9.478114 ?              ?        
1 1 1 4   17 22 o 223.0526 6.643904 2450.371       144.8947 2442.000       203.3763 2459.000       206.4831 221.9792 9.381279 222.7186 9.493344 -0.7393951     13.34661 
1 1 1 4   17 23 o 109.1466 5.047318 586.2607       53.77737 625.8000       74.64851 543.6000       77.53921 112.5280 6.809128 104.7148 7.617053 7.813194       10.21684 
1 1 1 4   17 24 o 87.61964 5.429939 378.7371       46.34078 365.6000       61.80986 395.6000       70.02843 85.77955 7.434868 89.13152 8.115607 -3.351967      11.00638 
1 1 1 4   17 25 o 251.5396 7.329344 3125.714       180.2662 3298.000       262.9767 2973.000       247.5885 257.1511 10.46964 244.1692 10.38307 12.98190       14.74522 
1 1 1 4   17 26 o 185.6964 6.002522 1700.100       108.9614 1719.000       153.6891 1681.000       154.5034 186.0585 8.461070 183.9409 8.605162 2.117615       12.06808 
1 1 1 4   17 27 o 106.0993 5.336946 555.4318       55.24778 545.5000       75.02209 567.2000       81.66414 104.7613 7.363033 106.7190 7.873217 -1.957672      10.77969 
1 1 1 4   17 28 o 160.0124 5.560298 1263.483       86.95560 1365.000       124.9013 1168.000       121.1329 165.7006 7.722053 153.1259 8.110706 12.57465       11.19882 
1 1 1 4   17 29 o 103.5294 5.258379 529.6949       53.11253 511.1000       71.63251 552.4000       79.15445 101.2421 7.276951 105.1466 7.745198 -3.904510      10.62742 
1 1 1 4   17 30 o 86.33158 5.516403 369.6156       46.37178 386.0000       63.34775 350.7000       68.06528 87.76949 7.443773 83.34420 8.460533 4.425293       11.26900 
1 1 1 4   17 31 o 96.09007 5.285851 457.6900       49.52488 443.2000       68.05679 474.0000       72.20462 93.96304 7.460808 97.12845 7.656604 -3.165405      10.69052 
1 1 1 4   17 32 o 79.56187 5.655306 315.3195       43.75494 356.9000       61.93889 273.9000       61.81894 84.09979 7.606385 73.19753 8.804755 10.90227       11.63533 
1 1 1 4   17 33 o 109.2936 5.209840 593.0983       55.57420 625.1000       77.94003 560.0000       79.26428 111.5039 7.179237 105.2836 7.745712 6.220276       10.56113 
1 1 1 4   17 34 o 148.2517 7.743450 1112.000       111.9779 1112.000       111.9779 0.000000       0.000000 148.2517 7.743450 ?        ?        ?              ?        
1 1 1 4   17 35 o 64.53683 6.597418 210.9505       41.09043 234.8000       56.51319 184.2000       59.85169 67.29060 8.789964 58.63330 10.82736 8.657291       13.94615 
1 1 1 4   17 36 o 70.83070 6.156973 253.1322       42.26326 184.0000       56.43703 341.4000       63.77130 58.74368 10.18406 81.50528 8.100533 -22.76160      13.01283 
1 1 1 4   17 37 o 118.5589 3.582578 694.6061       41.52766 662.8260       46.48574 820.2000       92.41156 115.6353 4.113540 126.8505 7.475800 -11.21526      8.532806 
1 1 1 4   17 38 f 39.62412 3.867970 78.39698       14.81119 77.59957       15.34663 89.23000       56.56505 39.38522 4.037941 40.16333 12.78408 -0.7781143     13.40663 
1 1 1 4   17 39 o 62.93221 3.183630 195.8925       19.54738 194.0571       20.58706 212.7000       62.29819 62.59575 3.372483 62.55554 10.54913 0.4021072E-01  11.07510 
1 1 1 4   17 40 o 85.49931 3.131193 361.2643       26.16040 353.4332       28.09956 412.2000       71.66348 84.49176 3.404624 88.82701 8.339818 -4.335251      9.007998 
1 1 1 4   17 41 o 103.3453 4.609934 534.6036       46.51543 527.0000       55.43289 552.7000       85.51728 102.0878 5.568459 102.3180 8.618834 -0.2302551     10.26119 
1 1 1 4   17 42 o 72.08064 3.256400 257.7783       22.91604 254.0497       27.37304 266.5143       41.89908 71.33422 3.935547 72.15464 5.986286 -0.8204193     7.164087 
1 1 1 4   17 43 o 38.43290 4.538304 75.10262       16.74382 59.66815       18.79459 134.4753       36.86212 33.75383 5.903438 50.09520 7.769027 -16.34137      9.757477 
1 1 1 4   17 44 o 45.57403 4.040569 104.6198       17.83802 113.5573       20.54838 77.28574       35.93539 47.34233 4.487854 36.77133 9.804994 10.57100       10.78326 
1 1 1 4   17 45 o 17.97092 6.632168 13.99850       15.40374 18.97299       16.63075 -16.03000      40.86055 19.84084 6.943829 20.24158 9.247503 -0.4007397     11.56430 
1 1 1 4   17 46 o 49.87334 3.870393 125.1373       18.74647 135.2710       22.13074 99.39400       35.27300 51.65642 4.419301 42.07986 8.845022 9.576561       9.887600 
1 1 1 4   17 47 o 25.20656 6.545818 34.39147       16.29207 34.10432       18.02906 35.67000       38.04255 25.03834 7.055649 27.00634 10.32417 -1.968004      12.50483 
1 1 1 4   17 48 o 42.92597 4.395599 93.95927       18.20851 83.53550       21.45087 120.8354       34.44419 39.93550 5.644759 46.93770 7.768513 -7.002197      9.602765 
1 1 1 4   17 49 o 17.39054 6.970589 9.759086       18.04391 7.458476       19.21406 26.94000       52.50742 17.20119 7.081364 27.20511 11.48926 -10.00392      13.49626 
1 1 1 4   17 50 o 14.95103 6.284151 3.533235       15.58934 0.7291122      18.81685 9.670120       27.83701 15.56109 6.730867 19.98660 8.398829 -4.425508      10.76313 
1 1 1 4   17 51 o 19.64616 6.813786 19.47148       15.99421 18.22751       19.45864 22.06240       28.08237 19.88854 7.432403 22.41223 8.786911 -2.523687      11.50871 
1 1 1 4   17 52 o 34.16010 5.348589 61.50026       17.29761 64.15820       21.37050 56.45063       29.45595 34.30671 6.603622 30.98730 9.108885 3.319408       11.25076 
1 1 1 4   17 53 o 22.51934 7.020289 27.64480       17.14202 14.47258       21.36847 51.42568       28.71163 19.30908 7.635825 29.59332 9.061699 -10.28424      11.84990 
1 1 1 4   17 54 o 50.29180 5.079675 131.4972       24.66334 164.7000       37.26430 105.6156       32.90036 54.90109 7.100481 43.15837 8.085088 11.74272       10.76037 
1 1 1 4   17 55 o 43.22358 5.571181 98.74946       23.02320 114.0000       35.75270 87.94494       30.09325 44.46165 8.525289 39.20926 8.108893 5.252399       11.76583 
1 1 1 4   17 56 f 26.10106 8.203661 38.92776       23.35921 30.21000       33.47675 47.20000       32.61010 24.66241 9.615715 28.28187 9.733016 -3.619461      13.68187 
1 1 1 4   17 57 o 29.30434 7.497684 49.15580       21.59186 28.14000       34.17536 63.11773       27.85563 24.18829 9.627217 32.61537 8.603066 -8.427076      12.91108 
1 1 1 4   17 58 o 36.83264 6.474945 74.82206       22.49231 112.8000       37.23207 52.99688       28.22477 43.26885 9.080898 29.53351 8.972979 13.73534       12.76625 
1 1 1 4   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   18 1  o 425.5397 9.328210 8908.469       388.5479 0.000000       0.000000 8908.469       388.5479 ?        ?        425.5397 9.328210 ?              ?        
1 1 1 4   18 2  o 308.9243 6.016005 4680.865       181.9141 4492.000       351.7681 4749.813       212.5415 301.4342 11.94589 311.0741 6.980293 -9.639832      13.83578 
1 1 1 4   18 3  o 387.0698 8.521960 7365.162       322.8754 7564.000       568.2764 7270.376       392.3562 390.2122 14.90568 384.0045 10.44821 6.207703       18.20287 
1 1 1 4   18 4  o 241.9516 6.933809 2876.013       164.0433 2674.000       220.1897 3128.000       245.9219 232.8656 9.681301 251.8298 9.996491 -18.96422      13.91609 
1 1 1 4   18 5  o 361.6245 6.921713 6419.916       245.0065 6268.000       480.2643 6473.362       284.8629 355.4300 13.83088 362.9358 8.018623 -7.505829      15.98723 
1 1 1 4   18 6  o 221.1307 4.547428 2396.461       98.42857 2477.000       199.0353 2370.388       113.2454 224.1749 9.089466 219.8734 5.261889 4.301514       10.50266 
1 1 1 4   18 7  o 364.7332 6.974496 6532.472       248.9971 6744.000       507.5489 6465.426       285.7465 368.4417 14.09955 362.6559 8.049704 5.785767       16.23561 
1 1 1 4   18 8  o 155.7503 4.145950 1189.518       63.14992 1277.000       112.2410 1149.000       76.38702 161.0837 7.136297 152.9956 5.107916 8.088165       8.775964 
1 1 1 4   18 9  o 93.28677 3.135613 426.6958       28.59112 396.5846       39.03738 461.5375       41.99199 89.84303 4.452927 96.93933 4.437245 -7.096306      6.286311 
1 1 1 4   18 10 o 194.8347 4.121229 1860.239       78.59580 1846.757       110.3762 1874.106       111.9429 193.9165 5.821655 195.3438 5.861139 -1.427261      8.261030 
1 1 1 4   18 11 o 130.4960 3.289477 834.6708       41.98399 857.0261       59.91223 813.1008       58.85067 132.1373 4.639362 128.6989 4.679440 3.438339       6.589449 
1 1 1 4   18 12 o 162.9830 3.656171 1301.491       58.32771 1412.923       85.91148 1206.206       79.44337 169.6440 5.179831 156.7306 5.185563 12.91335       7.329442 
1 1 1 4   18 13 o 221.7054 4.534590 2409.962       98.40576 2489.271       141.8764 2336.434       136.6067 225.0261 6.447911 218.0087 6.408605 7.017395       9.090972 
1 1 1 4   18 14 o 63.12640 3.087766 195.6639       19.02138 210.9641       29.29135 184.5068       25.01302 65.43077 4.602894 61.20743 4.200458 4.223339       6.231411 
1 1 1 4   18 15 o 98.22832 3.761482 473.5569       36.09929 443.2364       41.38152 570.1000       73.84129 94.97053 4.464043 107.4439 7.060323 -12.47335      8.353193 
1 1 1 4   18 16 o 47.50151 3.354156 111.1038       15.49513 139.2917       25.23792 94.05000       19.63061 53.05947 4.915289 43.54060 4.679454 9.518879       6.786557 
1 1 1 4   18 17 o 224.4813 5.251864 2473.295       115.3984 2435.403       141.0503 2550.000       200.6847 222.4960 6.483492 227.1252 9.045074 -4.629196      11.12875 
1 1 1 4   18 18 o 123.7120 3.774487 750.8781       45.65284 729.0000       81.81104 760.7716       55.01521 121.5413 6.905137 124.4588 4.523495 -2.917488      8.254872 
1 1 1 4   18 19 o 292.6331 11.79695 4263.000       337.2159 0.000000       0.000000 4263.000       337.2159 ?        ?        292.6331 11.79695 ?              ?        
1 1 1 4   18 20 o 81.32784 8.395675 329.8000       65.87500 0.000000       0.000000 329.8000       65.87500 ?        ?        81.32784 8.395675 ?              ?        
1 1 1 4   18 21 o 116.0990 5.049206 663.0676       57.24243 698.2000       81.10664 628.2000       80.80026 118.8664 7.001949 112.6692 7.366985 6.197174       10.16365 
1 1 1 4   18 22 o 212.0981 6.435558 2216.147       133.4525 2348.000       194.5629 2099.000       183.3926 217.6022 9.155077 205.7275 9.129906 11.87466       12.92945 
1 1 1 4   18 23 o 208.2122 6.387755 2136.467       130.0309 2277.000       188.9355 2010.000       179.2310 214.2279 9.030390 201.2249 9.123397 13.00307       12.83683 
1 1 1 4   18 24 o 242.2112 7.120421 2897.406       168.6299 2931.000       238.8146 2864.000       238.1441 242.5169 10.08233 239.6853 10.17375 2.831573       14.32335 
1 1 1 4   18 25 o 270.2651 7.788547 3616.894       205.8256 3801.000       299.4399 3452.000       283.3859 275.4088 11.13067 262.4826 11.05465 12.92621       15.68748 
1 1 1 4   18 26 o 129.8909 5.277412 831.7399       66.95774 940.1000       97.98170 736.8000       91.71384 137.6655 7.297396 121.7228 7.737680 15.94269       10.63596 
1 1 1 4   18 27 o 118.7234 5.232236 695.5760       60.65433 745.4000       86.46306 647.3000       85.10931 122.4559 7.245867 113.9750 7.673612 8.480919       10.55400 
1 1 1 4   18 28 o 79.17473 5.809608 311.1560       44.71008 354.5000       61.69066 263.2000       64.88977 84.14684 7.570747 71.91853 9.445971 12.22831       12.10548 
1 1 1 4   18 29 o 109.0360 5.261438 588.1468       55.98822 562.7000       74.38728 621.4000       85.03538 106.1486 7.202071 111.3667 7.851096 -5.218063      10.65409 
1 1 1 4   18 30 o 167.6048 5.721645 1392.367       93.72952 1489.000       135.2211 1303.000       130.0379 172.2843 8.040666 161.0233 8.278190 11.26103       11.54040 
1 1 1 4   18 31 o 111.9832 5.222268 621.7932       57.08479 723.0000       83.37937 532.5000       78.31828 120.1208 7.123425 102.7632 7.845397 17.35757       10.59686 
1 1 1 4   18 32 o 73.51782 5.983661 270.4839       42.68717 343.3000       60.19075 196.8000       60.54840 82.38029 7.548303 61.17155 10.48963 21.20874       12.92320 
1 1 1 4   18 33 o 192.5604 8.871386 1892.000       166.7616 1892.000       166.7616 0.000000       0.000000 192.5604 8.871386 ?        ?        ?              ?        
1 1 1 4   18 34 o 68.45695 6.371209 236.5856       42.20182 278.2000       59.37563 194.1000       59.99394 73.49626 8.404410 60.35725 10.53802 13.13901       13.47902 
1 1 1 4   18 35 o 69.75697 6.443071 246.2301       43.49642 228.7000       62.69302 262.5000       60.39762 65.69749 10.06961 71.03899 8.879315 -5.341499      13.42532 
1 1 1 4   18 36 f 113.8552 7.690630 662.7000       85.20506 0.000000       0.000000 662.7000       85.20506 ?        ?        113.8552 7.690630 ?              ?        
1 1 1 4   18 37 o 54.37623 7.726609 153.5919       39.96858 143.6000       53.89774 165.8000       59.57607 51.08989 11.09614 54.80010 11.47514 -3.710209      15.96256 
1 1 1 4   18 38 o 63.45390 6.889459 206.5346       42.10479 254.3000       57.23602 150.2000       62.15843 69.65929 8.575053 51.41991 12.47805 18.23939       15.14045 
1 1 1 4   18 39 o 36.81652 9.991243 74.44500       36.91682 99.46000       48.19799 38.94000       57.42136 42.04494 11.41876 31.42791 12.48869 10.61703       16.92204 
1 1 1 4   18 40 o 40.76904 9.654237 91.69079       37.92728 147.2000       49.23181 10.65000       59.48604 51.69321 10.09213 27.88120 12.01319 23.81202       15.68974 
1 1 1 4   18 41 o 77.75388 9.898488 330.6000       73.62957 0.000000       0.000000 330.6000       73.62957 ?        ?        77.75388 9.898488 ?              ?        
1 1 1 4   18 42 o 24.21336 9.520550 22.86979       33.04932 0.000000       0.000000 22.86979       33.04932 ?        ?        24.21336 9.520550 ?              ?        
1 1 1 4   18 43 o 29.71888 9.871790 48.33517       33.53614 0.000000       0.000000 48.33517       33.53614 ?        ?        29.71888 9.871790 ?              ?        
1 1 1 4   18 44 o 16.75135 7.830418 -24.53860      31.86410 0.000000       0.000000 -24.53860      31.86410 ?        ?        16.75135 7.830418 ?              ?        
1 1 1 4   18 45 o 45.38414 8.210067 113.3182       35.12955 0.000000       0.000000 113.3182       35.12955 ?        ?        45.38414 8.210067 ?              ?        
1 1 1 4   18 46 o 39.43937 10.38238 91.92000       40.62157 0.000000       0.000000 91.92000       40.62157 ?        ?        39.43937 10.38238 ?              ?        
1 1 1 4   18 47 o 49.16715 7.702683 131.9216       35.85368 0.000000       0.000000 131.9216       35.85368 ?        ?        49.16715 7.702683 ?              ?        
1 1 1 4   18 48 o 25.91344 9.659524 34.12077       32.82622 0.000000       0.000000 34.12077       32.82622 ?        ?        25.91344 9.659524 ?              ?        
1 1 1 4   18 49 o 25.19380 9.294559 32.84251       30.24881 0.000000       0.000000 32.84251       30.24881 ?        ?        25.19380 9.294559 ?              ?        
1 1 1 4   18 50 o 29.43942 9.149731 50.56915       29.14260 0.000000       0.000000 50.56915       29.14260 ?        ?        29.43942 9.149731 ?              ?        
1 1 1 4   18 51 o 29.42437 9.128265 50.58886       29.02094 0.000000       0.000000 50.58886       29.02094 ?        ?        29.42437 9.128265 ?              ?        
1 1 1 4   18 52 o 37.79448 8.462532 82.46857       30.52585 0.000000       0.000000 82.46857       30.52585 ?        ?        37.79448 8.462532 ?              ?        
1 1 1 4   18 53 o 22.16208 8.819046 20.78880       28.67296 0.000000       0.000000 20.78880       28.67296 ?        ?        22.16208 8.819046 ?              ?        
1 1 1 4   18 54 o 19.86264 8.400971 9.353421       28.14252 0.000000       0.000000 9.353421       28.14252 ?        ?        19.86264 8.400971 ?              ?        
1 1 1 4   18 55 o 26.46614 9.937735 38.63000       34.87426 0.000000       0.000000 38.63000       34.87426 ?        ?        26.46614 9.937735 ?              ?        
1 1 1 4   18 56 o 49.28042 6.773440 132.8701       31.80963 0.000000       0.000000 132.8701       31.80963 ?        ?        49.28042 6.773440 ?              ?        
1 1 1 4   18 57 o 20.82872 8.312424 18.39505       25.54586 0.000000       0.000000 18.39505       25.54586 ?        ?        20.82872 8.312424 ?              ?        
1 1 1 4   18 58 o 24.06451 8.696170 32.43520       26.27807 0.000000       0.000000 32.43520       26.27807 ?        ?        24.06451 8.696170 ?              ?        
1 1 1 4   19 0  o 353.8641 6.791137 6148.522       235.2259 5620.000       442.1621 6357.145       277.7984 336.4515 13.45331 359.6115 7.892053 -23.15997      15.59731 
1 1 1 4   19 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   19 2  o 273.0163 6.258084 3658.250       167.2385 0.000000       0.000000 3658.250       167.2385 ?        ?        273.0163 6.258084 ?              ?        
1 1 1 4   19 3  o 236.4993 4.806539 2741.975       111.2675 2703.000       218.8978 2755.554       129.2043 234.0399 9.575541 237.0162 5.569198 -2.976318      11.07732 
1 1 1 4   19 4  o 343.4634 7.643661 5798.242       256.9733 5913.000       449.3704 5742.479       313.2458 345.0982 13.32824 341.3117 9.385128 3.786438       16.30100 
1 1 1 4   19 5  o 331.5824 7.417659 5403.042       240.7490 5958.000       443.3274 5170.933       286.7083 346.4613 13.09623 323.9345 9.051127 22.52676       15.91961 
1 1 1 4   19 6  o 191.7393 4.116266 1801.601       77.25397 1828.000       154.0079 1792.725       89.30206 192.6011 8.187853 191.2241 4.771036 1.377014       9.476482 
1 1 1 4   19 7  o 154.2747 4.129760 1167.221       62.30674 1217.000       109.3197 1143.270       75.82854 157.2209 7.122146 152.6018 5.083623 4.619141       8.750325 
1 1 1 4   19 8  o 174.3624 4.444349 1491.242       75.79018 1584.000       134.2943 1447.892       91.80796 179.3203 7.668774 171.7087 5.469355 7.611603       9.419338 
1 1 1 4   19 9  o 207.5987 4.335825 2112.539       88.10540 2285.416       130.2681 1966.786       119.6125 215.6650 6.177315 200.0621 6.115272 15.60287       8.692283 
1 1 1 4   19 10 o 269.9047 6.152355 3577.050       162.5392 3794.000       291.4366 3479.101       195.8230 276.8285 10.77600 265.8612 7.532525 10.96729       13.14766 
1 1 1 4   19 11 o 137.3014 3.364177 923.5704       45.21265 1007.001       66.19236 850.6006       61.90358 143.2201 4.728174 131.6080 4.813482 11.61203       6.747240 
1 1 1 4   19 12 o 181.3745 3.935193 1612.337       69.86321 1681.538       100.7244 1548.179       96.98467 185.0093 5.568390 177.5120 5.588697 7.497223       7.889265 
1 1 1 4   19 13 o 226.3402 4.614435 2512.463       102.2319 2746.233       152.5613 2321.938       137.7292 236.2888 6.602692 217.2747 6.483309 19.01413       9.253585 
1 1 1 4   19 14 o 199.4185 4.190795 1949.732       81.80280 2072.519       119.8307 1842.573       111.9448 205.3299 5.968575 193.6023 5.914210 11.72763       8.402486 
1 1 1 4   19 15 o 119.8991 4.547583 706.0942       53.27393 706.0942       53.27393 0.000000       0.000000 119.8991 4.547583 ?        ?        ?              ?        
1 1 1 4   19 16 o 134.1668 4.541431 883.9468       59.55490 1013.000       96.85876 805.5000       75.51657 143.3336 6.924226 127.8968 6.049355 15.43685       9.194542 
1 1 1 4   19 17 o 370.6306 8.200479 6773.565       297.4998 6709.086       363.2149 6905.000       518.5742 368.0220 10.09239 371.1323 14.30176 -3.110321      17.50419 
1 1 1 4   19 18 o 280.2585 7.898628 3875.372       216.4628 0.000000       0.000000 3875.372       216.4628 ?        ?        280.2585 7.898628 ?              ?        
1 1 1 4   19 19 o 113.6840 7.563697 639.8000       83.68787 0.000000       0.000000 639.8000       83.68787 ?        ?        113.6840 7.563697 ?              ?        
1 1 1 4   19 20 o 285.6492 8.093203 4031.793       226.0589 4455.000       340.1483 3697.000       302.5378 298.7698 11.65357 272.2535 11.37780 26.51630       16.28681 
1 1 1 4   19 21 o 116.7497 5.148387 670.8746       58.68996 749.9000       83.36022 593.2000       82.64467 123.1742 6.942154 109.3602 7.771201 13.81403       10.42042 
1 1 1 4   19 22 o 168.2501 5.677307 1393.932       93.36439 1490.000       134.6595 1305.000       129.5623 173.4568 7.952366 162.2509 8.184467 11.20599       11.41164 
1 1 1 4   19 23 o 109.5122 5.318490 591.1348       56.84034 670.6000       81.23150 514.9000       79.56321 116.3352 7.168386 101.7041 8.058033 14.63108       10.78507 
1 1 1 4   19 24 o 107.7720 5.275697 572.7563       55.48430 605.9000       77.17652 537.3000       79.82372 110.5081 7.173619 103.8803 7.909886 6.627785       10.67835 
1 1 1 4   19 25 o 188.2233 6.053980 1749.062       111.3924 1915.000       163.1020 1604.000       152.4973 196.1381 8.515835 179.4045 8.710087 16.73363       12.18134 
1 1 1 4   19 26 o 172.9098 5.787368 1476.678       97.81252 1446.000       134.6059 1511.000       142.3765 170.3626 8.095206 174.0476 8.381903 -3.685013      11.65284 
1 1 1 4   19 27 o 138.2511 5.294547 943.9357       71.51550 923.8000       97.29496 967.6000       105.4761 136.2071 7.324614 139.2601 7.768654 -3.052994      10.67717 
1 1 1 4   19 28 o 121.2576 5.274088 727.2297       62.44859 760.7000       86.27821 690.4000       90.50460 123.4804 7.169163 117.3673 7.924483 6.113121       10.68617 
1 1 1 4   19 29 o 126.7600 5.263349 795.5724       65.16357 799.5000       90.27625 791.3000       94.15660 126.3940 7.328365 125.6004 7.695618 0.7936630      10.62673 
1 1 1 4   19 30 o 93.50330 5.404789 434.3788       49.25577 509.6000       70.41331 362.3000       68.92683 100.7445 7.187691 84.43200 8.453748 16.31252       11.09634 
1 1 1 4   19 31 o 169.2988 5.771199 1425.612       95.49723 1451.000       134.7583 1400.000       135.3506 169.4638 8.147920 166.3284 8.340184 3.135406       11.65964 
1 1 1 4   19 32 o 85.78433 7.701374 373.9000       63.97947 373.9000       63.97947 0.000000       0.000000 85.78433 7.701374 ?        ?        ?              ?        
1 1 1 4   19 33 o 116.0849 5.273957 671.4343       59.76992 762.0000       86.28785 587.9000       82.87055 122.7526 7.213252 107.4001 7.939089 15.35251       10.72661 
1 1 1 4   19 34 o 93.22137 7.878243 444.6000       71.21476 0.000000       0.000000 444.6000       71.21476 ?        ?        93.22137 7.878243 ?              ?        
1 1 1 4   19 35 o 74.70901 8.808453 290.9000       63.17697 0.000000       0.000000 290.9000       63.17697 ?        ?        74.70901 8.808453 ?              ?        
1 1 1 4   19 36 o 80.87357 5.832320 329.6596       45.85929 366.1000       64.36987 292.1000       65.35091 84.26340 7.896353 74.54727 9.147502 9.716125       12.08425 
1 1 1 4   19 37 o 84.58243 5.774581 360.8078       47.52194 341.1000       63.78189 385.4000       71.24869 81.05810 8.149331 85.94086 8.584501 -4.882759      11.83661 
1 1 1 4   19 38 o 96.20455 5.514201 466.0714       51.70843 434.2000       68.63702 507.9000       78.63113 91.61870 7.725561 98.80077 8.204663 -7.182076      11.26946 
1 1 1 4   19 39 o 67.59605 6.520406 234.4266       42.60740 282.3000       57.29560 175.2000       63.72835 73.34857 8.115988 55.32684 12.10498 18.02173       14.57394 
1 1 1 4   19 40 f 88.38735 5.847265 397.7081       50.30381 417.3000       66.83148 372.1000       76.40685 89.29281 7.722248 82.85885 9.598100 6.433960       12.31895 
1 1 1 4   19 41 o 51.84200 7.845860 143.5609       38.56974 0.000000       0.000000 143.5609       38.56974 ?        ?        51.84200 7.845860 ?              ?        
1 1 1 4   19 42 f 44.77919 8.269392 109.4594       34.91076 0.000000       0.000000 109.4594       34.91076 ?        ?        44.77919 8.269392 ?              ?        
1 1 1 4   19 43 o 95.11922 5.388345 462.0230       49.96318 0.000000       0.000000 462.0230       49.96318 ?        ?        95.11922 5.388345 ?              ?        
1 1 1 4   19 44 o 36.47628 9.435218 76.21027       33.93900 0.000000       0.000000 76.21027       33.93900 ?        ?        36.47628 9.435218 ?              ?        
1 1 1 4   19 45 o 63.24240 7.842031 216.4000       47.50544 0.000000       0.000000 216.4000       47.50544 ?        ?        63.24240 7.842031 ?              ?        
1 1 1 4   19 46 o 31.75048 9.924714 58.61771       34.23569 0.000000       0.000000 58.61771       34.23569 ?        ?        31.75048 9.924714 ?              ?        
1 1 1 4   19 47 o 61.76390 8.823677 214.2000       51.83024 0.000000       0.000000 214.2000       51.83024 ?        ?        61.76390 8.823677 ?              ?        
1 1 1 4   19 48 o 46.49217 7.740297 119.3986       33.98652 0.000000       0.000000 119.3986       33.98652 ?        ?        46.49217 7.740297 ?              ?        
1 1 1 4   19 49 o 42.55404 7.924126 101.5138       31.79219 0.000000       0.000000 101.5138       31.79219 ?        ?        42.55404 7.924126 ?              ?        
1 1 1 4   19 50 o 29.50202 9.082533 50.97094       28.79546 0.000000       0.000000 50.97094       28.79546 ?        ?        29.50202 9.082533 ?              ?        
1 1 1 4   19 51 o 22.39303 8.847317 21.74698       28.66309 0.000000       0.000000 21.74698       28.66309 ?        ?        22.39303 8.847317 ?              ?        
1 1 1 4   19 52 o 14.91852 7.059791 -24.83502      27.34286 0.000000       0.000000 -24.83502      27.34286 ?        ?        14.91852 7.059791 ?              ?        
1 1 1 4   19 53 f 39.40546 8.187059 88.91478       30.54571 0.000000       0.000000 88.91478       30.54571 ?        ?        39.40546 8.187059 ?              ?        
1 1 1 4   19 54 o 25.37733 10.01647 32.15000       36.70625 0.000000       0.000000 32.15000       36.70625 ?        ?        25.37733 10.01647 ?              ?        
1 1 1 4   19 55 o 44.76193 7.429575 111.8472       31.41134 0.000000       0.000000 111.8472       31.41134 ?        ?        44.76193 7.429575 ?              ?        
1 1 1 4   19 56 o 19.22471 8.153041 8.837302       26.62516 0.000000       0.000000 8.837302       26.62516 ?        ?        19.22471 8.153041 ?              ?        
1 1 1 4   19 57 o 46.02241 6.756287 117.2520       29.53012 0.000000       0.000000 117.2520       29.53012 ?        ?        46.02241 6.756287 ?              ?        
1 1 1 4   20 0  o 290.0087 5.688306 4126.957       161.4731 3856.000       308.4859 4229.211       189.5082 279.0324 11.31818 293.4477 6.597677 -14.41528      13.10079 
1 1 1 4   20 1  o 147.7346 3.552121 1069.261       51.36607 1052.000       101.1730 1075.255       59.62186 146.1452 7.093700 148.0653 4.117827 -1.920074      8.202261 
1 1 1 4   20 2  o 308.0280 6.945392 4661.864       209.4080 0.000000       0.000000 4661.864       209.4080 ?        ?        308.0280 6.945392 ?              ?        
1 1 1 4   20 3  o 261.2307 10.43109 3375.000       266.1865 0.000000       0.000000 3375.000       266.1865 ?        ?        261.2307 10.43109 ?              ?        
1 1 1 4   20 4  f 235.8153 4.808393 2726.852       110.9886 2728.000       219.5680 2726.458       128.6324 235.0036 9.565266 235.7198 5.575044 -0.7161865     11.07138 
1 1 1 4   20 5  o 316.6050 7.118515 4927.099       220.6040 5160.000       392.0910 4819.224       266.8470 322.3411 12.45037 312.6611 8.727853 9.679993       15.20484 
1 1 1 4   20 6  o 241.9090 5.673524 2872.151       134.3418 3048.000       239.1114 2791.039       162.3961 248.3081 9.857506 238.1966 6.972710 10.11143       12.07432 
1 1 1 4   20 7  o 141.6177 3.977250 983.7175       55.07778 889.2000       90.64202 1039.044       69.34897 134.3265 6.917144 145.4695 4.877264 -11.14305      8.463721 
1 1 1 4   20 8  o 253.1070 5.078578 3142.793       125.8208 3464.000       265.8303 3050.061       142.8330 264.5615 10.28489 249.2476 5.854519 15.31389       11.83446 
1 1 1 4   20 9  o 66.16276 3.536434 215.1047       22.81943 273.3806       32.99232 161.6572       31.59603 74.52850 4.544157 57.09989 5.730538 17.42860       7.313578 
1 1 1 4   20 10 o 322.3002 6.246308 5103.309       197.0563 5182.690       282.1417 5027.707       275.3420 324.0430 8.903694 319.1823 8.821535 4.860718       12.53376 
1 1 1 4   20 11 o 66.67016 3.432915 218.3719       22.32729 182.1915       30.67650 259.1281       32.55858 60.70943 5.212714 72.54194 4.609162 -11.83250      6.958215 
1 1 1 4   20 12 o 189.4763 4.064850 1760.055       75.38860 1775.961       107.2738 1744.534       105.9693 190.0795 5.772394 188.3912 5.753372 1.688217       8.149959 
1 1 1 4   20 13 o 76.28114 3.139563 285.5606       23.39178 306.0337       34.32442 267.8070       31.96357 78.86726 4.464547 73.76221 4.447721 5.105057       6.301936 
1 1 1 4   20 14 o 267.5229 6.094704 3516.940       159.5952 3793.231       206.1860 3104.000       252.0685 277.4183 7.600236 250.1773 10.31566 27.24104       12.81314 
1 1 1 4   20 15 o 89.62463 3.905047 394.5465       34.17561 410.5137       39.28885 344.9000       69.27862 91.37961 4.405499 83.16226 8.636340 8.217346       9.695091 
1 1 1 4   20 16 o 256.9290 5.892199 3244.044       148.1824 3409.303       188.8098 2979.000       239.1124 262.9940 7.341715 245.0742 9.988711 17.91983       12.39658 
1 1 1 4   20 17 o 152.4092 4.068696 1139.993       60.64348 1170.000       102.5804 1123.871       75.18970 154.0214 6.821124 151.2088 5.087376 2.812546       8.509356 
1 1 1 4   20 18 o 108.8717 4.451333 582.5974       47.33630 0.000000       0.000000 582.5974       47.33630 ?        ?        108.8717 4.451333 ?              ?        
1 1 1 4   20 19 f 116.4594 5.120278 667.4901       58.22527 641.0000       79.82979 697.6000       85.10951 113.8081 7.203103 118.7171 7.360375 -4.909004      10.29853 
1 1 1 4   20 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   20 21 o 231.5977 6.881618 2647.771       155.8293 2602.000       216.4709 2697.000       224.5001 228.6238 9.695247 232.6922 9.879110 -4.068436      13.84177 
1 1 1 4   20 22 o 161.7190 5.623677 1288.724       88.88451 1280.000       123.8184 1298.000       127.6736 160.6407 7.898729 161.7159 8.091403 -1.075272      11.30755 
1 1 1 4   20 23 o 157.2658 5.549444 1219.302       85.29208 1380.000       125.9031 1083.000       115.9528 166.7631 7.734190 147.6009 8.056297 19.16216       11.16788 
1 1 1 4   20 24 o 112.8254 5.286952 628.2295       58.22495 690.2000       82.42286 566.5000       82.26239 117.8689 7.178044 106.5579 7.944116 11.31097       10.70669 
1 1 1 4   20 25 o 136.4645 5.387187 919.4691       71.81808 926.7000       98.89330 911.4000       104.4680 136.4647 7.431603 135.1759 7.930302 1.288757       10.86823 
1 1 1 4   20 26 o 169.9956 5.780938 1429.398       96.05276 1438.000       132.9339 1420.000       138.9436 169.6823 8.026489 168.4300 8.454810 1.252350       11.65797 
1 1 1 4   20 27 o 131.2693 5.297040 852.3604       67.92189 910.9000       95.02151 791.2000       97.12516 135.1083 7.211238 125.6334 7.938654 9.474876       10.72493 
1 1 1 4   20 28 o 61.25163 6.828232 188.9616       40.24318 174.0000       53.47578 208.5000       61.11011 57.89676 9.784472 63.35600 10.20040 -5.459244      14.13450 
1 1 1 4   20 29 o 120.2833 5.232649 717.4969       61.46004 756.8000       86.37999 677.2000       87.46542 122.8235 7.216780 115.9437 7.751488 6.879822       10.59091 
1 1 1 4   20 30 o 143.0428 5.420455 1016.436       75.75676 1148.000       110.6372 900.3000       103.9479 151.0222 7.507891 133.4485 7.994499 17.57373       10.96724 
1 1 1 4   20 31 o 91.96994 7.536219 428.9000       67.24861 428.9000       67.24861 0.000000       0.000000 91.96994 7.536219 ?        ?        ?              ?        
1 1 1 4   20 32 o 72.12552 6.018046 261.6565       42.09962 203.0000       56.29291 336.1000       63.41753 62.16597 9.556620 80.97231 8.110466 -18.80634      12.53430 
1 1 1 4   20 33 o 87.48862 8.008361 392.6000       67.82076 0.000000       0.000000 392.6000       67.82076 ?        ?        87.48862 8.008361 ?              ?        
1 1 1 4   20 34 o 71.24233 6.174626 256.6480       42.63339 225.3000       58.79772 291.4000       61.90788 65.31765 9.472608 74.86728 8.604102 -9.549629      12.79691 
1 1 1 4   20 35 o 71.68726 6.098920 260.1186       42.38987 261.7000       57.96107 258.3000       62.15508 70.81837 8.533277 69.95183 9.308435 0.8665466      12.62790 
1 1 1 4   20 36 o 122.3973 5.372110 751.0884       64.20427 839.3000       92.15901 667.9000       89.49660 128.0655 7.383192 113.6975 8.094667 14.36799       10.95606 
1 1 1 4   20 37 o 54.66170 7.566827 155.7620       39.40129 155.0000       51.88498 156.8000       60.55889 53.20505 10.33540 52.60458 12.02414 0.6004677      15.85561 
1 1 1 4   20 38 o 39.83523 9.572983 87.25183       36.86154 109.9000       47.82886 54.12000       57.84905 44.12656 11.08840 33.56652 12.75539 10.56004       16.90125 
1 1 1 4   20 39 o 59.32473 7.009165 183.1723       39.91624 188.0000       51.21230 175.7000       63.71375 58.92122 9.178550 55.01583 12.15584 3.905396       15.23188 
1 1 1 4   20 40 o 35.24160 13.18189 67.50000       61.23647 0.000000       0.000000 67.50000       61.23647 ?        ?        35.24160 13.18189 ?              ?        
1 1 1 4   20 41 o 38.71219 9.343417 84.48931       34.99717 0.000000       0.000000 84.48931       34.99717 ?        ?        38.71219 9.343417 ?              ?        
1 1 1 4   20 42 o 65.30479 6.300066 221.8348       39.77204 0.000000       0.000000 221.8348       39.77204 ?        ?        65.30479 6.300066 ?              ?        
1 1 1 4   20 43 o 34.38370 9.820232 68.20863       34.68987 0.000000       0.000000 68.20863       34.68987 ?        ?        34.38370 9.820232 ?              ?        
1 1 1 4   20 44 o 26.02788 10.19359 30.31000       37.75952 0.000000       0.000000 30.31000       37.75952 ?        ?        26.02788 10.19359 ?              ?        
1 1 1 4   20 45 o 27.28372 11.66143 22.56000       55.21680 0.000000       0.000000 22.56000       55.21680 ?        ?        27.28372 11.66143 ?              ?        
1 1 1 4   20 46 o 18.23851 8.201580 -7.358894      30.63791 0.000000       0.000000 -7.358894      30.63791 ?        ?        18.23851 8.201580 ?              ?        
1 1 1 4   20 47 o 28.24491 9.500565 45.20998       31.04727 0.000000       0.000000 45.20998       31.04727 ?        ?        28.24491 9.500565 ?              ?        
1 1 1 4   20 48 o 23.01245 9.413191 19.89000       33.67459 0.000000       0.000000 19.89000       33.67459 ?        ?        23.01245 9.413191 ?              ?        
1 1 1 4   20 49 o 16.34166 7.477939 -11.60083      26.86190 0.000000       0.000000 -11.60083      26.86190 ?        ?        16.34166 7.477939 ?              ?        
1 1 1 4   20 50 o 19.26035 8.281857 5.440435       28.16195 0.000000       0.000000 5.440435       28.16195 ?        ?        19.26035 8.281857 ?              ?        
1 1 1 4   20 51 o 16.18398 7.475095 -14.80149      27.72276 0.000000       0.000000 -14.80149      27.72276 ?        ?        16.18398 7.475095 ?              ?        
1 1 1 4   20 52 o 41.05442 8.029932 95.83014       31.11200 0.000000       0.000000 95.83014       31.11200 ?        ?        41.05442 8.029932 ?              ?        
1 1 1 4   20 53 o 20.51603 9.001324 3.961000       34.68473 0.000000       0.000000 3.961000       34.68473 ?        ?        20.51603 9.001324 ?              ?        
1 1 1 4   20 54 o 67.56904 5.733167 241.1404       37.56062 0.000000       0.000000 241.1404       37.56062 ?        ?        67.56904 5.733167 ?              ?        
1 1 1 4   20 55 o 23.63352 8.978147 28.78144       28.65519 0.000000       0.000000 28.78144       28.65519 ?        ?        23.63352 8.978147 ?              ?        
1 1 1 4   20 56 o 27.81861 8.897382 46.47387       27.37295 0.000000       0.000000 46.47387       27.37295 ?        ?        27.81861 8.897382 ?              ?        
1 1 1 4   20 57 o 18.27966 7.849202 6.342670       25.22985 0.000000       0.000000 6.342670       25.22985 ?        ?        18.27966 7.849202 ?              ?        
1 1 1 4   21 0  o 210.2414 4.393620 2167.180       90.41633 2297.000       187.2581 2127.713       103.2496 215.6682 8.889556 208.2565 5.065045 7.411697       10.23127 
1 1 1 4   21 1  o 115.0199 3.862273 649.1049       43.42158 593.5000       72.36603 680.3870       54.27835 109.6800 6.773686 117.6903 4.721305 -8.010262      8.256728 
1 1 1 4   21 2  o 197.1303 4.214492 1905.054       81.32140 1708.000       152.2243 1983.751       96.19906 186.0144 8.382017 201.1031 4.887040 -15.08868      9.702648 
1 1 1 4   21 3  o 103.4313 4.664478 525.7141       47.10234 0.000000       0.000000 525.7141       47.10234 ?        ?        103.4313 4.664478 ?              ?        
1 1 1 4   21 4  o 167.2074 4.445378 1371.871       72.69173 0.000000       0.000000 1371.871       72.69173 ?        ?        167.2074 4.445378 ?              ?        
1 1 1 4   21 5  o 77.06535 3.979128 291.8873       29.91439 306.6000       50.98007 284.1612       36.94311 78.69895 6.681064 75.94258 4.997611 2.756371       8.343424 
1 1 1 4   21 6  o 130.5249 4.044406 835.9531       51.60954 933.5000       89.77676 787.8053       63.07322 137.6433 6.683480 126.6085 5.099948 11.03486       8.407043 
1 1 1 4   21 7  o 146.8876 4.202143 1058.693       60.35532 1094.000       102.6349 1040.029       74.62159 148.9727 7.058609 145.4803 5.248879 3.492477       8.796288 
1 1 1 4   21 8  o 302.9351 6.833528 4512.889       202.6286 4713.000       360.3187 4420.333       245.0482 307.8355 11.98097 299.3405 8.371562 8.495026       14.61597 
1 1 1 4   21 9  o 239.5199 5.618098 2817.047       131.7156 3109.000       241.4428 2693.344       157.1620 250.5791 9.863075 233.9115 6.871649 16.66762       12.02081 
1 1 1 4   21 10 o 130.7290 3.904690 838.5240       49.90887 765.6000       81.96099 881.4998       62.91929 124.5891 6.745963 133.9548 4.806444 -9.365723      8.283111 
1 1 1 4   21 11 o 104.3251 3.207562 533.7687       32.71552 532.0834       45.78361 535.5272       46.76548 104.0554 4.505780 104.3843 4.588241 -0.3289871     6.430708 
1 1 1 4   21 12 o 131.0573 3.775433 842.6649       48.38174 906.3503       62.65456 748.6000       76.14594 135.8330 4.719560 123.2374 6.333694 12.59557       7.898729 
1 1 1 4   21 13 o 42.57575 5.651632 90.58735       22.97161 96.95000       41.56865 87.79000       27.56260 43.40631 9.990997 41.67744 7.004569 1.728870       12.20180 
1 1 1 4   21 14 o 187.7762 4.056326 1729.106       74.55548 1747.642       105.9644 1710.934       104.9182 188.5045 5.749631 186.5117 5.753843 1.992706       8.134185 
1 1 1 4   21 15 o 132.1866 4.574586 858.4585       59.10038 934.0000       94.12914 809.3000       75.93304 137.5402 7.014955 128.1514 6.070686 9.388855       9.277005 
1 1 1 4   21 16 o 78.38401 3.263190 301.6485       24.98188 389.5000       46.58621 266.1885       29.59732 88.87674 5.380243 73.54987 4.127721 15.32687       6.781231 
1 1 1 4   21 17 o 104.3296 3.631020 534.3421       37.02369 588.4000       73.69936 516.0947       42.81889 109.0620 6.939734 102.4690 4.278518 6.592979       8.152645 
1 1 1 4   21 18 o 50.98684 3.681857 128.1466       18.25140 144.6000       49.09212 125.5076       19.66065 53.17135 9.793267 50.42155 4.016780 2.749805       10.58502 
1 1 1 4   21 19 o 145.8866 5.361574 1047.867       76.43189 1134.000       109.4216 965.8000       106.8078 151.3698 7.407619 139.5667 7.849987 11.80304       10.79329 
1 1 1 4   21 20 o 36.35436 9.710593 68.02912       35.20887 21.25000       45.84439 135.3000       54.97607 28.04281 11.15393 51.05241 11.30045 -23.00960      15.87798 
1 1 1 4   21 21 o 98.56112 5.387782 479.4653       51.78060 521.4000       71.98435 434.5000       74.54015 102.4606 7.223834 93.26974 8.249736 9.190849       10.96549 
1 1 1 4   21 22 o 101.1597 5.316826 505.1841       52.46127 525.3000       72.67734 483.3000       75.80428 102.7810 7.270969 98.41447 7.936419 4.366531       10.76354 
1 1 1 4   21 23 o 178.3028 5.885328 1570.446       102.5746 1660.000       146.7953 1485.000       143.3893 182.5216 8.237823 172.5060 8.518275 10.01559       11.85001 
1 1 1 4   21 24 o 147.3546 5.436142 1072.432       78.27369 1167.000       111.1818 979.5000       110.2159 153.1249 7.440182 140.0435 8.074587 13.08134       10.97977 
1 1 1 4   21 25 o 86.27606 5.585401 369.2175       46.91489 410.2000       63.16742 318.8000       70.06231 90.57696 7.183534 79.21216 9.207607 11.36480       11.67832 
1 1 1 4   21 26 o 140.3588 5.381755 975.1199       73.80138 1107.000       106.8252 854.7000       102.0783 148.8520 7.354614 130.4868 8.031004 18.36519       10.88978 
1 1 1 4   21 27 o 150.8678 5.470989 1128.212       80.65827 1149.000       112.2260 1106.000       116.0038 151.3721 7.598577 148.3027 8.021146 3.069412       11.04885 
1 1 1 4   21 28 o 95.85998 5.289278 456.4970       49.43713 500.8000       68.86996 409.4000       71.00839 99.84113 7.093354 89.83805 8.164083 10.00308       10.81517 
1 1 1 4   21 29 o 114.6908 7.260644 662.4000       81.09147 662.4000       81.09147 0.000000       0.000000 114.6908 7.260644 ?        ?        ?              ?        
1 1 1 4   21 30 o 47.59015 10.76721 121.9000       48.98030 121.9000       48.98030 0.000000       0.000000 47.59015 10.76721 ?        ?        ?              ?        
1 1 1 4   21 31 o 66.02416 6.133879 219.8380       39.18763 210.7000       52.95502 230.9000       58.26395 63.68493 8.724087 66.51007 9.195397 -2.825142      12.67537 
1 1 1 4   21 32 o 50.79950 11.38434 141.3000       55.20260 0.000000       0.000000 141.3000       55.20260 ?        ?        50.79950 11.38434 ?              ?        
1 1 1 4   21 33 o 68.98915 6.143648 240.7708       41.05358 237.2000       55.45763 245.1000       61.06341 67.45092 8.594714 68.18670 9.398767 -0.7357788     12.73601 
1 1 1 4   21 34 o 68.49319 6.162877 237.8269       40.87643 245.5000       55.18588 228.5000       60.84333 68.61983 8.390558 65.46444 9.795790 3.155396       12.89802 
1 1 1 4   21 35 o 106.5196 5.275728 568.7751       54.83585 580.9000       75.06431 554.9000       80.29930 106.5526 7.240196 103.6539 7.975719 2.898720       10.77184 
1 1 1 4   21 36 o 44.76542 8.540895 107.0444       36.05909 142.0000       47.44715 59.25000       55.48052 51.10559 9.841992 34.37286 12.60346 16.73273       15.99100 
1 1 1 4   21 37 o 42.89305 9.034274 99.85745       36.73031 84.61000       47.47223 122.6000       57.97765 38.70446 11.61062 45.95631 12.54151 -7.251850      17.09081 
1 1 1 4   21 38 o 94.30475 5.523842 450.4945       50.76627 518.5000       69.37499 372.1000       74.48586 100.0948 7.127480 83.13595 9.313207 16.95887       11.72761 
1 1 1 4   21 39 o 95.32891 5.596908 462.4212       51.99530 471.6000       69.04906 450.4000       79.02046 94.86117 7.497323 91.44254 8.942646 3.418633       11.66965 
1 1 1 4   21 40 o 26.94028 11.84446 7.120000       60.33981 0.000000       0.000000 7.120000       60.33981 ?        ?        26.94028 11.84446 ?              ?        
1 1 1 4   21 41 o 22.48885 9.115243 16.65176       31.23348 0.000000       0.000000 16.65176       31.23348 ?        ?        22.48885 9.115243 ?              ?        
1 1 1 4   21 42 o 58.02806 8.790943 186.1000       48.37004 0.000000       0.000000 186.1000       48.37004 ?        ?        58.02806 8.790943 ?              ?        
1 1 1 4   21 43 o 45.43161 10.18532 120.3000       44.17220 0.000000       0.000000 120.3000       44.17220 ?        ?        45.43161 10.18532 ?              ?        
1 1 1 4   21 44 o 43.25954 12.88852 120.8000       58.65038 0.000000       0.000000 120.8000       58.65038 ?        ?        43.25954 12.88852 ?              ?        
1 1 1 4   21 45 o 20.91141 8.768355 10.70787       30.23830 0.000000       0.000000 10.70787       30.23830 ?        ?        20.91141 8.768355 ?              ?        
1 1 1 4   21 46 o 24.67347 9.244982 30.16683       30.14782 0.000000       0.000000 30.16683       30.14782 ?        ?        24.67347 9.244982 ?              ?        
1 1 1 4   21 47 o 49.20400 7.106372 131.7638       33.23544 0.000000       0.000000 131.7638       33.23544 ?        ?        49.20400 7.106372 ?              ?        
1 1 1 4   21 48 o 23.45262 8.859778 27.10610       27.81229 0.000000       0.000000 27.10610       27.81229 ?        ?        23.45262 8.859778 ?              ?        
1 1 1 4   21 49 o 23.68790 9.785909 21.20000       36.86449 0.000000       0.000000 21.20000       36.86449 ?        ?        23.68790 9.785909 ?              ?        
1 1 1 4   21 50 o 17.26432 7.802561 -7.325021      28.13205 0.000000       0.000000 -7.325021      28.13205 ?        ?        17.26432 7.802561 ?              ?        
1 1 1 4   21 51 o 20.95203 8.651186 14.69899       28.79076 0.000000       0.000000 14.69899       28.79076 ?        ?        20.95203 8.651186 ?              ?        
1 1 1 4   21 52 o 33.17088 10.34273 68.58000       37.20496 0.000000       0.000000 68.58000       37.20496 ?        ?        33.17088 10.34273 ?              ?        
1 1 1 4   21 53 o 20.11292 8.418945 11.74341       27.80293 0.000000       0.000000 11.74341       27.80293 ?        ?        20.11292 8.418945 ?              ?        
1 1 1 4   21 54 o 41.73040 7.929303 99.48783       31.20493 0.000000       0.000000 99.48783       31.20493 ?        ?        41.73040 7.929303 ?              ?        
1 1 1 4   21 55 o 28.15935 9.003769 47.67811       28.03301 0.000000       0.000000 47.67811       28.03301 ?        ?        28.15935 9.003769 ?              ?        
1 1 1 4   21 56 o 20.58546 8.326688 17.58500       26.00264 0.000000       0.000000 17.58500       26.00264 ?        ?        20.58546 8.326688 ?              ?        
1 1 1 4   22 0  o 183.2577 4.006481 1646.376       71.86732 1715.000       147.6285 1625.063       82.27450 186.3819 8.111505 181.9588 4.623149 4.423111       9.336489 
1 1 1 4   22 1  o 185.1136 4.043053 1679.948       73.25782 1697.000       147.6293 1674.377       84.37972 185.3898 8.155390 184.6950 4.671168 0.6947784      9.398415 
1 1 1 4   22 2  o 152.2075 3.638071 1135.408       54.20175 1187.000       110.6982 1119.139       62.16315 155.1310 7.310705 151.0192 4.209383 4.111725       8.435954 
1 1 1 4   22 3  o 229.0880 4.710310 2574.532       105.6229 2449.000       204.2179 2620.376       123.4113 222.4654 9.399502 231.0261 5.457425 -8.560638      10.86895 
1 1 1 4   22 4  o 314.3450 7.087978 4861.917       218.0897 0.000000       0.000000 4861.917       218.0897 ?        ?        314.3450 7.087978 ?              ?        
1 1 1 4   22 5  o 201.7233 4.985246 1996.874       98.43484 0.000000       0.000000 1996.874       98.43484 ?        ?        201.7233 4.985246 ?              ?        
1 1 1 4   22 6  o 290.9681 8.089080 4176.323       230.1596 4537.000       344.6505 3886.000       309.2148 302.0083 11.68082 279.6076 11.32150 22.40073       16.26709 
1 1 1 4   22 7  o 173.5755 4.609221 1479.035       78.24160 1529.000       133.5681 1452.934       96.53857 175.9960 7.772601 171.8906 5.745837 4.105423       9.665814 
1 1 1 4   22 8  o 331.6436 7.456397 5416.722       242.0510 5946.000       443.7203 5192.500       288.8062 344.9627 13.16524 324.0842 9.113263 20.87854       16.01172 
1 1 1 4   22 9  f 122.4696 4.820556 737.1515       57.67430 0.000000       0.000000 737.1515       57.67430 ?        ?        122.4696 4.820556 ?              ?        
1 1 1 4   22 10 f 145.3278 5.031256 1037.957       71.46209 1037.957       71.46209 0.000000       0.000000 145.3278 5.031256 ?        ?        ?              ?        
1 1 1 4   22 11 o 81.72964 3.602687 328.0645       28.75040 352.6247       37.33924 292.3000       45.05836 84.65742 4.522443 76.87800 6.036173 7.779427       7.542406 
1 1 1 4   22 12 f 204.5250 4.926208 2053.510       98.62009 2159.275       125.3937 1882.000       159.6799 209.4638 6.122471 195.0593 8.382864 14.40451       10.38061 
1 1 1 4   22 13 o 84.54435 3.608488 351.0556       29.79313 359.5132       39.81974 340.3000       44.90477 85.44663 4.780046 83.03368 5.556986 2.412956       7.330002 
1 1 1 4   22 14 o 191.9144 5.938245 1813.103       111.4163 1807.000       152.9659 1820.000       162.6088 191.0894 8.197153 191.6463 8.690986 -0.5569000     11.94682 
1 1 1 4   22 15 o 211.6037 5.096262 2199.565       105.5556 2585.000       199.1977 2049.079       124.4674 228.3524 8.929155 203.9541 6.242069 24.39835       10.89464 
1 1 1 4   22 16 o 228.8210 4.694011 2571.068       105.1347 2838.547       157.7203 2357.173       141.0400 239.9184 6.722738 218.6447 6.597729 21.27374       9.419407 
1 1 1 4   22 17 o 109.9041 3.104216 592.5630       33.36083 627.4022       48.63597 561.6059       45.84621 112.9582 4.407253 106.8635 4.392327 6.094704       6.222251 
1 1 1 4   22 18 o 111.4283 5.190753 611.8382       56.45948 637.5000       77.55280 582.9000       82.35495 113.4311 7.019269 108.2822 7.822833 5.148880       10.51032 
1 1 1 4   22 19 f 137.9616 5.363203 937.9831       72.28706 1067.000       105.2782 822.9000       99.43084 146.7258 7.353813 128.6688 7.933390 18.05701       10.81745 
1 1 1 4   22 20 o 167.8494 5.728077 1389.808       93.97189 1429.000       132.3804 1350.000       133.4184 169.5724 7.998118 164.7110 8.302129 4.861450       11.52802 
1 1 1 4   22 21 o 143.8887 5.395534 1021.497       75.85728 1032.000       104.9353 1010.000       109.7858 144.1012 7.465016 142.4210 7.906306 1.680222       10.87364 
1 1 1 4   22 22 o 129.9331 5.293166 833.5508       67.17865 893.2000       93.86017 770.9000       96.19268 134.0248 7.180892 124.2586 7.950484 9.766167       10.71333 
1 1 1 4   22 23 o 71.78754 6.033593 256.5779       42.00465 301.0000       55.45760 196.8000       64.33265 77.48267 7.402105 61.48866 11.09706 15.99402       13.33926 
1 1 1 4   22 24 o 98.09416 5.330197 476.6116       50.98683 493.4000       68.24373 455.4000       76.70887 99.37176 7.062082 95.06583 8.327573 4.305931       10.91886 
1 1 1 4   22 25 o 125.8336 5.222515 783.9314       64.18562 794.7000       88.18607 771.8000       93.59999 126.0599 7.176533 124.0051 7.750089 2.054771       10.56250 
1 1 1 4   22 26 o 72.41909 5.859938 261.8624       41.18412 312.2000       55.68902 201.1000       61.18436 78.70547 7.312302 62.00778 10.45190 16.69770       12.75586 
1 1 1 4   22 27 f 76.74065 5.654059 293.8722       42.17275 285.8000       56.29060 304.2000       63.67166 75.03626 7.776662 77.14771 8.576524 -2.111450      11.57727 
1 1 1 4   22 28 o 152.9727 7.713246 1182.000       115.1207 1182.000       115.1207 0.000000       0.000000 152.9727 7.713246 ?        ?        ?              ?        
1 1 1 4   22 29 o 61.96922 8.864344 199.6000       52.23873 199.6000       52.23873 0.000000       0.000000 61.96922 8.864344 ?        ?        ?              ?        
1 1 1 4   22 30 f 97.48791 5.280854 474.2958       50.20381 494.0000       70.31004 453.8000       71.70844 98.62763 7.335562 94.26435 7.842690 4.363281       10.73863 
1 1 1 4   22 31 o 30.10133 11.76989 34.36000       50.27285 0.000000       0.000000 34.36000       50.27285 ?        ?        30.10133 11.76989 ?              ?        
1 1 1 4   22 32 o 80.47011 5.537149 325.2154       43.34825 339.3000       58.60441 308.2000       64.41395 81.38534 7.438776 76.90762 8.709800 4.477715       11.45408 
1 1 1 4   22 33 o 74.80619 5.751115 282.2316       41.78801 301.8000       56.44582 258.5000       62.16106 76.53117 7.636925 69.93341 9.312095 6.597763       12.04316 
1 1 1 4   22 34 o 124.4554 5.279015 776.2373       64.16310 846.2000       90.52340 705.6000       90.95882 128.6631 7.216802 116.8884 7.998202 11.77475       10.77281 
1 1 1 4   22 35 o 76.22466 5.814117 294.1960       43.05228 295.0000       56.68648 293.1000       66.18030 75.34554 7.798893 74.20953 9.315675 1.136009       12.14926 
1 1 1 4   22 36 o 51.46235 7.373738 138.4890       36.08356 121.7000       45.91652 165.6000       58.34843 46.84190 10.29579 54.22042 11.35845 -7.378525      15.33029 
1 1 1 4   22 37 o 24.61710 9.481041 24.74109       32.24578 59.44000       40.37793 -36.35000      53.57660 32.94995 10.82742 21.87057 10.20036 11.07938       14.87550 
1 1 1 4   22 38 o 21.38442 9.103276 6.080212       33.40900 -36.31000      41.14299 88.14000       57.24377 18.55264 8.743244 38.61533 12.89922 -20.06269      15.58314 
1 1 1 4   22 39 o 60.23106 12.01109 215.3000       68.32738 0.000000       0.000000 215.3000       68.32738 ?        ?        60.23106 12.01109 ?              ?        
1 1 1 4   22 40 o 29.09786 9.858092 46.20485       33.42843 0.000000       0.000000 46.20485       33.42843 ?        ?        29.09786 9.858092 ?              ?        
1 1 1 4   22 41 o 45.78569 9.772487 120.2000       42.46267 0.000000       0.000000 120.2000       42.46267 ?        ?        45.78569 9.772487 ?              ?        
1 1 1 4   22 42 o 73.90338 5.951054 283.4393       42.68544 0.000000       0.000000 283.4393       42.68544 ?        ?        73.90338 5.951054 ?              ?        
1 1 1 4   22 43 o 45.20355 12.80237 131.3000       59.20513 0.000000       0.000000 131.3000       59.20513 ?        ?        45.20355 12.80237 ?              ?        
1 1 1 4   22 44 o 57.30566 6.812814 175.1459       37.46754 0.000000       0.000000 175.1459       37.46754 ?        ?        57.30566 6.812814 ?              ?        
1 1 1 4   22 45 o 50.52116 7.188251 138.2709       34.54519 0.000000       0.000000 138.2709       34.54519 ?        ?        50.52116 7.188251 ?              ?        
1 1 1 4   22 46 o 23.76356 9.235213 26.10322       30.80074 0.000000       0.000000 26.10322       30.80074 ?        ?        23.76356 9.235213 ?              ?        
1 1 1 4   22 47 o 44.96526 7.620056 112.3855       32.34193 0.000000       0.000000 112.3855       32.34193 ?        ?        44.96526 7.620056 ?              ?        
1 1 1 4   22 48 o 33.49691 8.986782 66.31518       30.07401 0.000000       0.000000 66.31518       30.07401 ?        ?        33.49691 8.986782 ?              ?        
1 1 1 4   22 49 o 27.87075 9.317527 45.25462       29.86686 0.000000       0.000000 45.25462       29.86686 ?        ?        27.87075 9.317527 ?              ?        
1 1 1 4   22 50 o 27.60475 10.50000 42.62000       39.22340 0.000000       0.000000 42.62000       39.22340 ?        ?        27.60475 10.50000 ?              ?        
1 1 1 4   22 51 o 21.27824 9.276940 6.980000       36.33395 0.000000       0.000000 6.980000       36.33395 ?        ?        21.27824 9.276940 ?              ?        
1 1 1 4   22 52 o 15.12893 7.132948 -22.54578      27.43884 0.000000       0.000000 -22.54578      27.43884 ?        ?        15.12893 7.132948 ?              ?        
1 1 1 4   22 53 o 18.47427 8.083145 2.219955       27.79791 0.000000       0.000000 2.219955       27.79791 ?        ?        18.47427 8.083145 ?              ?        
1 1 1 4   22 54 o 17.04799 7.667396 -4.803140      26.78840 0.000000       0.000000 -4.803140      26.78840 ?        ?        17.04799 7.667396 ?              ?        
1 1 1 4   22 55 o 19.26106 8.095381 10.81905       25.86904 0.000000       0.000000 10.81905       25.86904 ?        ?        19.26106 8.095381 ?              ?        
1 1 1 4   22 56 o 19.08673 8.056838 10.53410       25.80039 0.000000       0.000000 10.53410       25.80039 ?        ?        19.08673 8.056838 ?              ?        
1 1 1 4   23 0  o 90.30346 3.350863 400.1670       29.56742 418.9000       62.29786 394.7203       33.59193 91.99986 6.969841 89.64861 3.836991 2.351250       7.956203 
1 1 1 4   23 1  o 145.8943 3.581564 1043.266       51.14666 1078.000       104.6438 1032.364       58.62666 147.7900 7.255907 145.0359 4.133868 2.754105       8.350871 
1 1 1 4   23 2  o 128.0533 3.443166 804.2031       43.11822 916.1000       91.44638 772.2135       48.89470 136.2718 6.877978 125.4335 3.987440 10.83831       7.950237 
1 1 1 4   23 3  o 190.9539 4.149327 1788.144       77.55546 1705.000       150.9689 1817.953       90.39530 185.7188 8.325894 192.4741 4.798079 -6.755264      9.609479 
1 1 1 4   23 4  o 100.0853 3.373883 491.4587       33.00543 504.8000       66.15794 487.0379       38.08321 101.0723 6.725446 99.59114 3.914292 1.481201       7.781601 
1 1 1 4   23 5  o 211.7089 5.159866 2200.519       106.9261 0.000000       0.000000 2200.519       106.9261 ?        ?        211.7089 5.159866 ?              ?        
1 1 1 4   23 6  o 257.6854 5.998188 3263.947       151.2920 0.000000       0.000000 3263.947       151.2920 ?        ?        257.6854 5.998188 ?              ?        
1 1 1 4   23 7  o 100.9469 4.888879 501.3589       48.16320 499.2000       65.50217 503.9000       71.06328 100.4979 6.696962 100.8882 7.244347 -0.3903732     9.865589 
1 1 1 4   23 8  o 298.3733 11.85326 4441.000       345.4927 4441.000       345.4927 0.000000       0.000000 298.3733 11.85326 ?        ?        ?              ?        
1 1 1 4   23 9  o 118.1136 4.995836 686.2051       57.62785 613.9000       74.71361 792.4000       90.54554 111.4463 6.882593 126.5915 7.338751 -15.14524      10.06118 
1 1 1 4   23 10 o 362.2528 9.899965 6511.846       350.7069 7108.000       527.3187 6039.000       469.6280 375.6594 14.36726 346.5543 13.87251 29.10504       19.97160 
1 1 1 4   23 11 o 213.4887 6.337155 2245.138       132.2801 2245.138       132.2801 0.000000       0.000000 213.4887 6.337155 ?        ?        ?              ?        
1 1 1 4   23 12 o 108.4018 3.285289 576.5287       34.81889 577.4377       49.24092 575.6198       49.24177 108.3533 4.653625 108.1814 4.661169 0.1718750      6.586556 
1 1 1 4   23 13 o 178.5153 5.427320 1567.927       94.72452 1703.000       142.1347 1460.000       127.0520 185.5282 7.844497 171.8225 7.572918 13.70570       10.90345 
1 1 1 4   23 14 o 47.64943 4.579507 112.5082       21.09639 107.9000       33.62376 115.5000       27.09262 46.13077 7.718942 48.09637 5.876744 -1.965599      9.701452 
1 1 1 4   23 15 o 137.6527 3.404459 929.1730       45.87110 1029.689       67.98045 845.1503       62.15353 144.6877 4.806728 131.0605 4.853314 13.62715       6.830760 
1 1 1 4   23 16 o 121.2830 4.601796 723.6705       54.53120 723.6705       54.53120 0.000000       0.000000 121.2830 4.601796 ?        ?        ?              ?        
1 1 1 4   23 17 o 244.9452 5.746209 2955.083       137.7706 3339.000       259.6838 2804.695       162.5296 258.3829 10.28831 238.1743 6.979107 20.20860       12.43210 
1 1 1 4   23 18 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   23 19 o 160.1496 5.594201 1265.805       87.55939 1344.000       124.3869 1189.000       123.2759 164.4050 7.751361 154.4724 8.182257 9.932648       11.27089 
1 1 1 4   23 20 o 62.39204 6.644126 194.7542       39.95296 206.6000       52.53152 178.5000       61.53454 63.82642 8.629249 58.58271 11.13805 5.243710       14.08972 
1 1 1 4   23 21 o 78.58769 5.722242 306.5930       43.71606 328.8000       58.00739 277.4000       66.50855 81.02739 7.395265 73.82730 9.417637 7.200089       11.97421 
1 1 1 4   23 22 o 79.80606 5.727852 316.4774       44.44633 347.3000       59.14871 276.5000       67.36246 83.23438 7.334961 73.54896 9.584765 9.685417       12.06936 
1 1 1 4   23 23 o 71.73102 5.947229 256.6168       41.38186 288.0000       55.39872 217.0000       62.24295 75.59583 7.589346 64.73566 10.15685 10.86018       12.67911 
1 1 1 4   23 24 o 113.9239 5.189757 643.1218       57.71994 682.9000       79.67983 599.2000       83.72713 116.8204 7.000357 109.0718 7.895829 7.748657       10.55221 
1 1 1 4   23 25 o 87.61545 5.365581 381.7314       45.79477 411.4000       62.61079 347.6000       67.15488 90.43484 7.130712 82.63314 8.420174 7.801704       11.03387 
1 1 1 4   23 26 o 106.5856 5.173590 564.2798       53.81429 580.7000       73.31630 545.1000       79.23800 107.4789 7.007216 103.7651 7.859917 3.713791       10.52993 
1 1 1 4   23 27 o 115.0168 7.140810 667.1000       79.99590 667.1000       79.99590 0.000000       0.000000 115.0168 7.140810 ?        ?        ?              ?        
1 1 1 4   23 28 o 109.6525 5.266900 599.3115       56.36484 673.2000       78.60274 521.1000       80.86942 115.4512 6.988299 100.8944 8.260889 14.55676       10.82029 
1 1 1 4   23 29 o 54.22060 7.270312 150.9828       37.61393 146.0000       50.85657 157.0000       55.88678 52.13586 10.33095 53.83108 10.97892 -1.695217      15.07532 
1 1 1 4   23 30 o 48.68580 11.59091 130.9000       54.43816 0.000000       0.000000 130.9000       54.43816 ?        ?        48.68580 11.59091 ?              ?        
1 1 1 4   23 31 o 38.27764 9.147686 78.82573       33.80569 81.82000       44.73664 74.84000       51.61457 38.62085 11.18995 37.29325 12.24094 1.327599       16.58480 
1 1 1 4   23 32 o 94.00683 5.237822 442.8893       48.00603 454.9000       65.66524 429.1000       70.35912 94.32890 7.165489 91.14549 7.966393 3.183411       10.71483 
1 1 1 4   23 33 o 43.30972 8.563210 100.1570       35.01492 120.4000       46.23415 72.93000       53.61981 46.80859 10.36468 36.76680 12.48496 10.04179       16.22655 
1 1 1 4   23 34 o 18.39666 8.355412 -15.45515      32.74219 27.94000       41.88247 -83.66000      52.50725 27.20636 10.71143 18.47458 9.000746 8.731775       13.99100 
1 1 1 4   23 35 o 135.2289 5.340890 920.6679       70.55609 924.3000       96.52132 916.5000       103.3958 133.7999 7.398700 132.6528 8.000248 1.147079       10.89701 
1 1 1 4   23 36 o 49.37249 7.636642 129.0605       35.71565 74.27000       44.48782 228.4000       59.90316 36.21061 11.31275 64.59915 9.779223 -28.38855      14.95365 
1 1 1 4   23 37 o 47.39927 7.961535 120.6591       35.62985 95.97000       44.36731 165.5000       59.79259 40.74431 10.90843 53.16852 11.79756 -12.42421      16.06787 
1 1 1 4   23 38 o 45.00849 8.403346 111.0085       35.66022 129.9000       44.44265 76.86000       59.75201 47.91177 9.807145 36.20433 13.10905 11.70743       16.37153 
1 1 1 4   23 39 o 48.95572 13.05248 150.4000       63.68599 0.000000       0.000000 150.4000       63.68599 ?        ?        48.95572 13.05248 ?              ?        
1 1 1 4   23 40 o 35.19244 10.40565 72.66000       38.34634 0.000000       0.000000 72.66000       38.34634 ?        ?        35.19244 10.40565 ?              ?        
1 1 1 4   23 41 o 24.17700 9.266964 26.51402       30.70403 0.000000       0.000000 26.51402       30.70403 ?        ?        24.17700 9.266964 ?              ?        
1 1 1 4   23 42 o 39.01625 12.92783 97.83000       57.52308 0.000000       0.000000 97.83000       57.52308 ?        ?        39.01625 12.92783 ?              ?        
1 1 1 4   23 43 o 26.24713 9.536160 36.15742       31.65550 0.000000       0.000000 36.15742       31.65550 ?        ?        26.24713 9.536160 ?              ?        
1 1 1 4   23 44 o 56.06617 6.543817 167.3253       35.23740 0.000000       0.000000 167.3253       35.23740 ?        ?        56.06617 6.543817 ?              ?        
1 1 1 4   23 45 o 34.21859 9.176385 68.81476       31.36480 0.000000       0.000000 68.81476       31.36480 ?        ?        34.21859 9.176385 ?              ?        
1 1 1 4   23 46 o 69.46432 5.667698 252.7491       38.20205 0.000000       0.000000 252.7491       38.20205 ?        ?        69.46432 5.667698 ?              ?        
1 1 1 4   23 47 o 22.01093 8.810685 19.96100       28.78771 0.000000       0.000000 19.96100       28.78771 ?        ?        22.01093 8.810685 ?              ?        
1 1 1 4   23 48 o 39.69955 8.194883 90.13383       30.78856 0.000000       0.000000 90.13383       30.78856 ?        ?        39.69955 8.194883 ?              ?        
1 1 1 4   23 49 o 35.31620 8.966420 73.98132       31.04627 0.000000       0.000000 73.98132       31.04627 ?        ?        35.31620 8.966420 ?              ?        
1 1 1 4   23 50 o 29.00139 10.54855 50.11000       38.74841 0.000000       0.000000 50.11000       38.74841 ?        ?        29.00139 10.54855 ?              ?        
1 1 1 4   23 51 o 14.82024 7.302303 -65.61000      37.67634 0.000000       0.000000 -65.61000      37.67634 ?        ?        14.82024 7.302303 ?              ?        
1 1 1 4   23 52 o 14.04826 6.773698 -34.66791      27.81131 0.000000       0.000000 -34.66791      27.81131 ?        ?        14.04826 6.773698 ?              ?        
1 1 1 4   23 53 o 19.88517 8.377271 11.14203       27.80465 0.000000       0.000000 11.14203       27.80465 ?        ?        19.88517 8.377271 ?              ?        
1 1 1 4   23 54 o 23.95889 8.949615 31.35725       28.20770 0.000000       0.000000 31.35725       28.20770 ?        ?        23.95889 8.949615 ?              ?        
1 1 1 4   23 55 o 26.93171 8.892975 43.90545       27.22686 0.000000       0.000000 43.90545       27.22686 ?        ?        26.93171 8.892975 ?              ?        
1 1 1 4   24 0  o 207.3609 4.379451 2109.681       88.88996 2360.000       191.4486 2040.888       100.3639 218.2670 8.980208 203.8708 5.029399 14.39624       10.29267 
1 1 1 4   24 1  o 111.0122 3.355351 604.5777       36.41800 696.4000       79.35394 580.0783       40.98949 118.7272 6.857468 108.6952 3.858738 10.03198       7.868591 
1 1 1 4   24 2  o 244.1885 4.958911 2927.735       118.5271 3292.000       255.6387 2827.985       133.7751 257.4140 10.16583 239.8687 5.697647 17.54535       11.65364 
1 1 1 4   24 3  o 115.1820 3.895134 651.3485       43.85186 0.000000       0.000000 651.3485       43.85186 ?        ?        115.1820 3.895134 ?              ?        
1 1 1 4   24 4  f 270.7967 5.395954 3602.975       143.0269 3386.000       274.4908 3683.840       167.5733 260.7882 10.77631 273.6349 6.256439 -12.84674      12.46082 
1 1 1 4   24 5  o 146.3905 4.234269 1052.271       60.60955 947.4000       98.33488 1116.519       76.96787 138.4433 7.282144 150.6697 5.226795 -12.22639      8.963760 
1 1 1 4   24 6  o 273.3568 6.295938 3677.441       168.4599 0.000000       0.000000 3677.441       168.4599 ?        ?        273.3568 6.295938 ?              ?        
1 1 1 4   24 7  f 130.2776 4.034002 833.3696       51.37934 0.000000       0.000000 833.3696       51.37934 ?        ?        130.2776 4.034002 ?              ?        
1 1 1 4   24 8  o 173.1951 3.941451 1471.388       66.81870 1446.000       131.2651 1480.268       77.62890 170.9451 7.865968 173.5897 4.572689 -2.644608      9.098513 
1 1 1 4   24 9  o 162.5527 5.466402 1300.369       86.85277 1506.000       129.4460 1132.000       117.1319 174.5126 7.596210 151.1768 7.943472 23.33582       10.99096 
1 1 1 4   24 10 o 100.5080 6.720068 500.0000       65.73221 500.0000       65.73221 0.000000       0.000000 100.5080 6.720068 ?        ?        ?              ?        
1 1 1 4   24 11 o 204.7109 5.001939 2059.289       100.2272 2305.000       184.7206 1956.769       119.3183 215.5051 8.775281 199.2569 6.124959 16.24811       10.70143 
1 1 1 4   24 12 o 83.57571 3.798721 343.3927       30.99465 350.1000       54.31680 340.1542       37.74270 84.00385 6.660327 83.08550 4.659562 0.9183502      8.128436 
1 1 1 4   24 13 o 148.9695 3.578612 1088.584       52.18169 1186.472       76.80954 1004.681       71.11151 155.2650 5.060761 142.8570 5.093633 12.40800       7.180279 
1 1 1 4   24 14 o 89.97281 3.151333 397.4126       27.71027 418.8841       40.44487 378.4166       38.04190 92.23044 4.493576 87.65683 4.448282 4.573608       6.322929 
1 1 1 4   24 15 o 130.4543 3.347483 835.3280       42.70944 845.5742       60.60120 825.2166       60.20133 131.0632 4.731593 129.4696 4.758517 1.593643       6.710548 
1 1 1 4   24 16 o 123.4061 3.237201 747.5360       39.06944 764.6594       55.93142 731.2194       54.59779 124.6276 4.592815 121.8695 4.585103 2.758080       6.489771 
1 1 1 4   24 17 o 94.37238 3.024690 437.2719       27.90428 509.6583       41.98823 380.0129       37.34399 101.7451 4.225264 87.81271 4.358293 13.93241       6.070220 
1 1 1 4   24 18 o 135.8767 3.347761 906.2027       44.52516 998.3000       100.0086 883.4347       49.72519 141.6863 7.235083 134.0508 3.793481 7.635559       8.169267 
1 1 1 4   24 19 o 87.29639 5.438163 377.4877       46.23730 415.8000       62.78939 332.1000       68.34174 91.26797 7.083909 81.06692 8.751158 10.20106       11.25898 
1 1 1 4   24 20 o 88.96848 5.376976 392.2754       46.60672 350.7000       60.15714 454.7000       73.71351 83.62073 7.426829 95.12882 7.990192 -11.50809      10.90876 
1 1 1 4   24 21 o 120.8696 5.196821 722.9693       61.34022 709.9000       82.64481 739.0000       91.53045 119.1981 7.115760 121.3987 7.743101 -2.200623      10.51616 
1 1 1 4   24 22 o 108.1425 5.207673 579.5893       54.96270 669.4000       77.35074 488.0000       78.11287 115.7225 6.859514 98.28733 8.193773 17.43513       10.68601 
1 1 1 4   24 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   24 24 o 86.20021 5.404160 369.9277       45.36825 392.7000       61.32690 342.4000       67.42680 88.27177 7.159184 81.88263 8.537967 6.389137       11.14230 
1 1 1 4   24 25 o 66.40480 6.231890 221.8485       40.03320 174.2000       51.48665 294.7000       63.66331 57.72906 9.437358 75.70462 8.752336 -17.97556      12.87117 
1 1 1 4   24 26 o 77.00607 7.597613 302.2000       56.52222 302.2000       56.52222 0.000000       0.000000 77.00607 7.597613 ?        ?        ?              ?        
1 1 1 4   24 27 o 99.87369 5.237526 497.6144       51.02265 491.2000       68.90650 505.4000       75.91547 98.40212 7.203928 99.49257 7.859095 -1.090446      10.66124 
1 1 1 4   24 28 o 66.03721 9.668290 230.2000       60.64381 0.000000       0.000000 230.2000       60.64381 ?        ?        66.03721 9.668290 ?              ?        
1 1 1 4   24 29 o 72.13880 9.081413 272.8000       62.70732 0.000000       0.000000 272.8000       62.70732 ?        ?        72.13880 9.081413 ?              ?        
1 1 1 4   24 30 o 44.03531 8.422231 102.7627       34.97990 92.35000       45.76063 117.4000       54.25511 40.86969 11.13741 45.74906 11.97743 -4.879368      16.35545 
1 1 1 4   24 31 o 62.75252 6.306977 200.5251       38.21514 166.1000       49.89016 249.4000       59.44571 55.70468 9.489776 68.73641 9.055478 -13.03173      13.11707 
1 1 1 4   24 32 o 41.46255 8.785831 92.47993       34.54739 94.75000       44.74710 89.13000       54.35814 41.22690 10.91760 39.80152 12.51507 1.425385       16.60786 
1 1 1 4   24 33 o 104.8816 5.232037 552.8703       53.54302 547.5000       71.79549 559.6000       80.37054 103.2083 7.151058 103.7509 7.975205 -0.5426483     10.71175 
1 1 1 4   24 34 o 34.98634 9.449272 67.41034       33.11465 60.59000       42.45985 78.00000       52.90743 33.41035 11.10811 37.24250 12.40012 -3.832150      16.64791 
1 1 1 4   24 35 o 74.13061 5.770923 280.2025       41.54476 236.3000       52.64188 352.7000       67.64690 66.66836 8.242229 81.30670 8.631658 -14.63834      11.93482 
1 1 1 4   24 36 o 49.54429 7.639585 130.8869       35.85894 127.1000       44.96887 137.5000       59.42533 47.50235 9.988792 47.76293 12.54989 -0.2605743     16.03981 
1 1 1 4   24 37 o 59.46812 6.726376 185.4829       38.46706 193.2000       48.71370 172.7000       62.69589 59.49794 8.614961 53.48412 12.24113 6.013821       14.96873 
1 1 1 4   24 38 o 58.79816 11.56739 205.0000       64.20148 0.000000       0.000000 205.0000       64.20148 ?        ?        58.79816 11.56739 ?              ?        
1 1 1 4   24 39 o 57.81767 8.602843 184.4000       47.20562 0.000000       0.000000 184.4000       47.20562 ?        ?        57.81767 8.602843 ?              ?        
1 1 1 4   24 40 o 38.38990 8.823426 83.52470       32.46016 0.000000       0.000000 83.52470       32.46016 ?        ?        38.38990 8.823426 ?              ?        
1 1 1 4   24 41 o 48.09322 12.63030 147.5000       60.20900 0.000000       0.000000 147.5000       60.20900 ?        ?        48.09322 12.63030 ?              ?        
1 1 1 4   24 42 o 24.77078 9.454395 29.33422       31.86951 0.000000       0.000000 29.33422       31.86951 ?        ?        24.77078 9.454395 ?              ?        
1 1 1 4   24 43 o 36.88140 8.998401 78.84532       32.19220 0.000000       0.000000 78.84532       32.19220 ?        ?        36.88140 8.998401 ?              ?        
1 1 1 4   24 44 o 26.51675 9.360662 38.76295       30.26790 0.000000       0.000000 38.76295       30.26790 ?        ?        26.51675 9.360662 ?              ?        
1 1 1 4   24 45 o 42.55870 8.042283 102.4158       32.27492 0.000000       0.000000 102.4158       32.27492 ?        ?        42.55870 8.042283 ?              ?        
1 1 1 4   24 46 o 19.74167 8.413324 8.054940       28.59237 0.000000       0.000000 8.054940       28.59237 ?        ?        19.74167 8.413324 ?              ?        
1 1 1 4   24 47 o 69.18372 5.671439 251.3477       38.06955 0.000000       0.000000 251.3477       38.06955 ?        ?        69.18372 5.671439 ?              ?        
1 1 1 4   24 48 o 37.59802 8.661733 82.75396       31.22048 0.000000       0.000000 82.75396       31.22048 ?        ?        37.59802 8.661733 ?              ?        
1 1 1 4   24 49 o 53.48304 8.914059 166.6000       45.02408 0.000000       0.000000 166.6000       45.02408 ?        ?        53.48304 8.914059 ?              ?        
1 1 1 4   24 50 o 23.96906 9.063158 29.60317       29.11919 0.000000       0.000000 29.60317       29.11919 ?        ?        23.96906 9.063158 ?              ?        
1 1 1 4   24 51 o 50.85612 6.921056 142.2477       33.55941 0.000000       0.000000 142.2477       33.55941 ?        ?        50.85612 6.921056 ?              ?        
1 1 1 4   24 52 o 19.51921 8.888222 -7.152000      37.35136 0.000000       0.000000 -7.152000      37.35136 ?        ?        19.51921 8.888222 ?              ?        
1 1 1 4   24 53 o 23.40265 8.872821 28.92393       27.95324 0.000000       0.000000 28.92393       27.95324 ?        ?        23.40265 8.872821 ?              ?        
1 1 1 4   24 54 o 12.55118 6.157897 -43.22364      25.88075 0.000000       0.000000 -43.22364      25.88075 ?        ?        12.55118 6.157897 ?              ?        
1 1 1 4   25 0  o 157.3536 4.314732 1216.074       66.39366 1241.000       117.3912 1204.351       80.50684 158.3798 7.594458 156.4582 5.264380 1.921570       9.240643 
1 1 1 4   25 1  o 168.0847 3.835573 1385.764       63.10513 1520.000       134.1976 1347.654       71.50413 175.2550 7.842774 165.6400 4.414148 9.615005       8.999657 
1 1 1 4   25 2  o 178.2066 3.978349 1557.970       69.39575 1570.000       139.7739 1554.035       79.94489 178.0647 8.040142 177.8518 4.596109 0.2129059      9.261106 
1 1 1 4   25 3  o 73.16839 3.641492 263.1877       25.99813 240.7000       53.82525 270.0304       29.69129 69.33109 8.082869 74.07104 4.111322 -4.739944      9.068392 
1 1 1 4   25 4  o 209.4154 4.427900 2152.806       90.76379 2536.000       200.2307 2053.706       101.8262 226.0295 9.068636 204.4398 5.088477 21.58972       10.39869 
1 1 1 4   25 5  o 172.9503 4.513892 1469.623       76.34969 1373.000       129.0007 1521.718       94.72141 166.4834 7.939044 175.8251 5.510585 -9.341690      9.664106 
1 1 1 4   25 6  o 262.9121 5.277649 3398.286       135.8180 3510.000       276.2986 3362.692       155.9616 265.1583 10.66730 261.3345 6.096980 3.823822       12.28676 
1 1 1 4   25 7  o 107.9129 4.705452 573.1207       49.58334 0.000000       0.000000 573.1207       49.58334 ?        ?        107.9129 4.705452 ?              ?        
1 1 1 4   25 8  o 150.1792 5.133568 1110.112       75.35227 0.000000       0.000000 1110.112       75.35227 ?        ?        150.1792 5.133568 ?              ?        
1 1 1 4   25 9  o 130.0080 3.488020 829.5947       44.34683 760.8000       85.15466 855.1960       51.94717 123.9383 7.048405 131.9376 4.027133 -7.999298      8.117746 
1 1 1 4   25 10 o 134.6122 5.074017 892.3183       66.73666 986.2000       95.63276 803.2000       93.17502 141.1575 6.942740 127.2281 7.515350 13.92946       10.23143 
1 1 1 4   25 11 o 90.74949 6.387541 408.2000       56.37688 408.2000       56.37688 0.000000       0.000000 90.74949 6.387541 ?        ?        ?              ?        
1 1 1 4   25 12 o 148.0834 5.086056 1080.145       73.61198 0.000000       0.000000 1080.145       73.61198 ?        ?        148.0834 5.086056 ?              ?        
1 1 1 4   25 13 o 84.94943 4.290140 355.4825       35.55740 465.8000       61.24814 299.4000       43.67012 96.90410 6.494705 77.72337 5.781604 19.18073       8.695294 
1 1 1 4   25 14 o 178.6398 5.603353 1574.768       97.85773 0.000000       0.000000 1574.768       97.85773 ?        ?        178.6398 5.603353 ?              ?        
1 1 1 4   25 15 o 91.97966 3.881138 416.3562       34.86422 449.7307       40.89085 327.5000       66.72106 95.53027 4.384687 80.62910 8.585962 14.90117       9.640759 
1 1 1 4   25 16 o 32.19644 4.338993 51.89709       13.32647 89.95125       23.29613 33.38723       16.24742 42.30087 5.777176 25.48931 6.494521 16.81156       8.692213 
1 1 1 4   25 17 o 65.92085 3.445413 213.9930       22.15441 232.1000       35.94410 202.9000       28.13377 68.36359 5.415731 64.04041 4.517134 4.323181       7.052279 
1 1 1 4   25 18 o 99.31317 3.019763 484.5725       29.32116 507.5000       68.38245 479.4077       32.45617 100.8166 6.972522 98.73643 3.363163 2.080185       7.741248 
1 1 1 4   25 19 o 152.3449 5.478007 1149.291       81.55473 1316.000       119.5109 1004.000       111.5697 162.1983 7.548275 141.3934 8.095243 20.80492       11.06840 
1 1 1 4   25 20 o 137.0405 5.307094 930.4426       71.05428 1082.000       103.9857 797.7000       97.31730 147.0394 7.247263 125.9171 7.936222 21.12223       10.74739 
1 1 1 4   25 21 f 64.61475 6.247218 209.5101       39.01936 217.5000       51.66255 198.9000       59.53432 65.25896 8.273459 61.70181 10.21449 3.557148       13.14481 
1 1 1 4   25 22 o 102.3582 5.195290 520.3967       51.88190 595.2000       72.80116 443.2000       73.95667 108.9065 6.864253 93.41904 8.170038 15.48745       10.67087 
1 1 1 4   25 23 o 47.12333 8.022063 114.9449       35.67778 139.9000       47.09144 81.32000       54.66293 51.54174 9.689807 39.31554 12.57313 12.22619       15.87375 
1 1 1 4   25 24 o 80.90386 7.399803 332.4000       57.95154 332.4000       57.95154 0.000000       0.000000 80.90386 7.399803 ?        ?        ?              ?        
1 1 1 4   25 25 o 20.59175 9.354005 -20.33000      41.05819 -20.33000      41.05819 0.000000       0.000000 20.59175 9.354005 ?        ?        ?              ?        
1 1 1 4   25 26 o 73.71087 5.801628 273.1657       41.52170 263.9000       55.34071 285.1000       62.80637 71.58299 8.036859 74.06222 8.837842 -2.479225      11.94565 
1 1 1 4   25 27 o 113.9478 7.781858 664.2000       86.27420 0.000000       0.000000 664.2000       86.27420 ?        ?        113.9478 7.781858 ?              ?        
1 1 1 4   25 28 o 48.26933 8.122885 122.2650       37.01707 105.0000       49.10031 145.0000       56.34422 43.50537 11.39629 51.15191 11.53000 -7.646534      16.21161 
1 1 1 4   25 29 o 42.89280 8.621352 98.11189       34.93967 108.6000       45.91921 83.69000       53.84645 44.37520 10.69768 38.93684 12.48164 5.438358       16.43872 
1 1 1 4   25 30 o 103.8697 5.223198 540.9102       52.93410 473.8000       69.19476 635.6000       82.19216 96.03463 7.418511 111.1765 7.598536 -15.14185      10.61942 
1 1 1 4   25 31 o 50.74640 7.373215 134.3107       35.55334 104.0000       45.25183 183.2000       57.47051 43.18108 10.74859 57.76989 10.55207 -14.58881      15.06248 
1 1 1 4   25 32 o 65.27161 6.052330 217.1735       38.22773 221.5000       48.93649 210.4000       61.23117 65.07144 7.840939 61.90735 10.47814 3.164089       13.08708 
1 1 1 4   25 33 o 35.37166 9.264325 68.97112       32.45079 57.12000       40.38716 90.56000       54.51031 32.49478 10.83437 39.54861 12.54520 -7.053829      16.57606 
1 1 1 4   25 34 o 87.24848 5.420774 386.2053       46.06540 389.1000       60.15261 382.1000       71.63377 86.44908 7.173191 84.41901 8.798003 2.030067       11.35163 
1 1 1 4   25 35 o 51.13752 7.487847 139.0992       36.36988 156.0000       45.34056 108.6000       60.90842 53.31359 9.009119 42.02576 13.25218 11.28783       16.02450 
1 1 1 4   25 36 o 25.14437 9.515412 29.08788       32.11327 39.39000       39.08786 7.694000       56.32787 28.14121 10.53045 26.20008 11.48375 1.941126       15.58098 
1 1 1 4   25 37 o 50.31993 12.61782 157.1000       62.02781 0.000000       0.000000 157.1000       62.02781 ?        ?        50.31993 12.61782 ?              ?        
1 1 1 4   25 38 o 23.83867 9.897895 17.33000       37.97635 0.000000       0.000000 17.33000       37.97635 ?        ?        23.83867 9.897895 ?              ?        
1 1 1 4   25 39 o 48.59145 7.574863 128.2395       34.85369 0.000000       0.000000 128.2395       34.85369 ?        ?        48.59145 7.574863 ?              ?        
1 1 1 4   25 40 o 22.62194 10.42656 -18.70000      53.52780 0.000000       0.000000 -18.70000      53.52780 ?        ?        22.62194 10.42656 ?              ?        
1 1 1 4   25 41 o 46.68274 7.719545 119.8332       34.04219 0.000000       0.000000 119.8332       34.04219 ?        ?        46.68274 7.719545 ?              ?        
1 1 1 4   25 42 o 39.81468 8.628656 90.59169       32.65469 0.000000       0.000000 90.59169       32.65469 ?        ?        39.81468 8.628656 ?              ?        
1 1 1 4   25 43 o 26.30505 9.422069 37.79542       30.76933 0.000000       0.000000 37.79542       30.76933 ?        ?        26.30505 9.422069 ?              ?        
1 1 1 4   25 44 o 37.02042 8.787099 80.13051       31.36159 0.000000       0.000000 80.13051       31.36159 ?        ?        37.02042 8.787099 ?              ?        
1 1 1 4   25 45 o 45.91431 7.414812 117.0616       32.18868 0.000000       0.000000 117.0616       32.18868 ?        ?        45.91431 7.414812 ?              ?        
1 1 1 4   25 46 o 63.21085 6.052233 212.1313       36.98987 0.000000       0.000000 212.1313       36.98987 ?        ?        63.21085 6.052233 ?              ?        
1 1 1 4   25 47 o 15.66801 7.341368 -20.35233      28.28621 0.000000       0.000000 -20.35233      28.28621 ?        ?        15.66801 7.341368 ?              ?        
1 1 1 4   25 48 o 51.03174 9.255647 154.0000       44.53106 0.000000       0.000000 154.0000       44.53106 ?        ?        51.03174 9.255647 ?              ?        
1 1 1 4   25 49 f 66.39256 5.965462 234.3739       38.35479 0.000000       0.000000 234.3739       38.35479 ?        ?        66.39256 5.965462 ?              ?        
1 1 1 4   25 50 o 16.41619 7.549001 -12.19943      27.83438 0.000000       0.000000 -12.19943      27.83438 ?        ?        16.41619 7.549001 ?              ?        
1 1 1 4   25 51 o 41.96109 7.778472 100.4690       30.77212 0.000000       0.000000 100.4690       30.77212 ?        ?        41.96109 7.778472 ?              ?        
1 1 1 4   25 52 o 28.84043 9.099401 50.72844       28.71260 0.000000       0.000000 50.72844       28.71260 ?        ?        28.84043 9.099401 ?              ?        
1 1 1 4   25 53 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   26 0  o 178.3932 3.989402 1562.002       69.66140 1581.000       142.3265 1556.017       79.88395 178.4788 8.168566 177.9098 4.591098 0.5690155      9.370359 
1 1 1 4   26 1  o 162.0996 3.775993 1289.324       59.91275 1505.000       132.5308 1233.927       67.16796 174.2347 7.790684 158.4554 4.334681 15.77933       8.915392 
1 1 1 4   26 2  o 103.7890 3.354206 528.8360       34.03115 590.1000       74.84636 512.8699       38.20913 109.0907 7.047038 102.1605 3.827776 6.930145       8.019514 
1 1 1 4   26 3  o 158.7384 3.765244 1236.450       58.50346 1017.000       108.9997 1325.250       69.33712 143.1429 7.809032 164.2162 4.317380 -21.07330      8.923046 
1 1 1 4   26 4  o 134.5814 3.550763 889.1442       46.73403 853.5000       93.59999 900.9811       53.93849 131.2024 7.317315 135.4098 4.074148 -4.207367      8.375069 
1 1 1 4   26 5  o 201.9893 4.335532 2003.973       85.71899 2054.000       174.7352 1988.118       98.36877 203.1782 8.807034 201.0702 4.998081 2.108002       10.12643 
1 1 1 4   26 6  o 119.8000 3.908758 705.2546       45.77415 859.9000       88.71951 649.1550       53.43556 131.7624 6.903014 114.8164 4.765023 16.94599       8.387911 
1 1 1 4   26 7  o 146.2583 5.079126 1053.627       72.60325 957.9000       101.7301 1153.000       103.6498 138.9171 7.509397 152.5911 6.957890 -13.67397      10.23735 
1 1 1 4   26 8  o 182.2531 4.694068 1634.208       83.66982 0.000000       0.000000 1634.208       83.66982 ?        ?        182.2531 4.694068 ?              ?        
1 1 1 4   26 9  o 155.9517 5.234598 1198.729       79.79283 0.000000       0.000000 1198.729       79.79283 ?        ?        155.9517 5.234598 ?              ?        
1 1 1 4   26 10 o 202.9240 4.989213 2026.788       99.09951 2306.000       183.7761 1912.311       117.6742 215.0228 8.749969 196.7372 6.118100 18.28560       10.67676 
1 1 1 4   26 11 o 126.9440 4.887326 794.4014       60.61464 853.2000       85.32661 734.5000       86.12302 131.1651 6.667871 121.5197 7.273755 9.645432       9.867523 
1 1 1 4   26 12 o 129.6332 4.065178 826.7466       51.51871 829.6000       84.40596 825.0525       65.03921 129.2856 6.692645 129.2975 5.149302 -0.1196289E-01 8.444335 
1 1 1 4   26 13 o 139.2246 4.697301 955.4288       63.92170 1044.000       96.04436 885.0000       85.64471 144.9929 6.786180 133.5321 6.572723 11.46085       9.447377 
1 1 1 4   26 14 o 84.35659 3.158900 349.7617       26.03714 382.7548       38.06024 320.7380       35.69738 88.07494 4.429034 80.58707 4.543888 7.487862       6.345334 
1 1 1 4   26 15 o 31.74419 4.904532 50.82716       14.74877 55.82056       23.54280 47.60151       18.92205 32.84900 7.488911 30.41495 6.549673 2.434050       9.948970 
1 1 1 4   26 16 o 137.0663 3.952143 925.0914       52.96826 1112.000       103.1458 858.1478       61.72934 149.3138 7.077558 131.8197 4.792128 17.49408       8.547299 
1 1 1 4   26 17 o 55.97651 3.642859 154.7428       19.85130 220.5000       49.52899 142.1577       21.66782 65.95334 7.824416 53.56532 4.165336 12.38802       8.864058 
1 1 1 4   26 18 o 33.69205 3.309350 56.32781       10.77314 114.5000       44.06333 52.62941       11.11032 46.64066 9.954976 32.52148 3.547655 14.11918       10.56823 
1 1 1 4   26 19 o 54.22861 6.923904 149.1024       35.91523 120.3000       46.67724 190.9000       56.22984 47.66444 10.30538 60.53238 9.826838 -12.86794      14.23965 
1 1 1 4   26 20 o 108.4372 5.173977 583.9219       54.75887 692.1000       77.79643 477.7000       77.08986 117.4788 6.794396 96.97830 8.197846 20.50049       10.64746 
1 1 1 4   26 21 o 58.92353 6.812712 175.9851       38.57007 246.2000       51.75026 88.24000       57.85082 69.50695 7.737385 40.75510 12.92339 28.75185       15.06258 
1 1 1 4   26 22 o 20.72033 8.933303 -0.8514215     32.93383 -19.21000      42.21734 27.69000       52.63918 21.10430 9.546221 29.70873 11.90657 -8.604427      15.26095 
1 1 1 4   26 23 o 38.33874 11.15291 79.28000       44.36026 79.28000       44.36026 0.000000       0.000000 38.33874 11.15291 ?        ?        ?              ?        
1 1 1 4   26 24 o 58.83689 8.772886 180.9000       48.98211 180.9000       48.98211 0.000000       0.000000 58.83689 8.772886 ?        ?        ?              ?        
1 1 1 4   26 25 o 119.9937 5.186213 718.7034       60.76990 768.9000       84.79621 665.7000       87.13474 123.1067 7.066707 114.0466 7.853488 9.060150       10.56483 
1 1 1 4   26 26 o 61.27952 10.09555 201.2000       58.44832 0.000000       0.000000 201.2000       58.44832 ?        ?        61.27952 10.09555 ?              ?        
1 1 1 4   26 27 o 91.12946 5.361241 416.6497       47.61102 435.9000       64.24699 393.2000       70.90922 92.34521 7.163740 86.97047 8.435418 5.374748       11.06686 
1 1 1 4   26 28 o 69.46939 6.065988 244.7857       40.83453 263.1000       54.22771 220.8000       62.05872 71.19243 7.915489 63.93513 10.26369 7.257294       12.96141 
1 1 1 4   26 29 o 75.09871 5.799028 285.3874       42.29792 285.1000       55.09418 285.8000       66.01176 74.15084 7.702837 73.25799 9.423810 0.8928528      12.17136 
1 1 1 4   26 30 o 89.00027 5.316929 398.8394       46.10778 363.6000       59.59245 451.4000       72.77918 83.91352 7.328731 93.05821 8.069678 -9.144691      10.90092 
1 1 1 4   26 31 o 84.51828 5.360898 360.5497       44.12153 358.7000       57.49178 363.2000       68.81947 83.35260 7.114562 82.90307 8.605809 0.4495316      11.16588 
1 1 1 4   26 32 o 119.6029 5.155658 721.1664       60.21585 730.3000       80.86787 709.8000       90.21257 118.9321 6.977224 116.3316 7.970677 2.600441       10.59308 
1 1 1 4   26 33 o 108.7526 5.198709 598.4242       55.18005 570.2000       72.18619 638.1000       85.58669 104.6985 7.085544 109.8910 8.011834 -5.192467      10.69553 
1 1 1 4   26 34 f 85.80430 5.442687 375.4242       45.47624 315.0000       56.80213 483.3000       75.89639 77.09076 7.627465 95.02821 8.240862 -17.93745      11.22898 
1 1 1 4   26 35 o 46.32790 8.054741 116.9729       35.20057 115.4000       42.93019 120.2000       61.49251 44.81079 10.03732 43.55605 13.24667 1.254745       16.61993 
1 1 1 4   26 36 o 65.97512 10.61199 251.3000       66.20668 0.000000       0.000000 251.3000       66.20668 ?        ?        65.97512 10.61199 ?              ?        
1 1 1 4   26 37 o 25.64566 10.16364 28.19000       37.93433 0.000000       0.000000 28.19000       37.93433 ?        ?        25.64566 10.16364 ?              ?        
1 1 1 4   26 38 o 38.00858 8.970261 82.46089       32.83188 0.000000       0.000000 82.46089       32.83188 ?        ?        38.00858 8.970261 ?              ?        
1 1 1 4   26 39 o 57.60956 11.31655 200.5000       61.53617 0.000000       0.000000 200.5000       61.53617 ?        ?        57.60956 11.31655 ?              ?        
1 1 1 4   26 40 o 20.73676 8.764332 9.525734       30.59312 0.000000       0.000000 9.525734       30.59312 ?        ?        20.73676 8.764332 ?              ?        
1 1 1 4   26 41 o 84.92520 5.404649 373.3377       44.69419 0.000000       0.000000 373.3377       44.69419 ?        ?        84.92520 5.404649 ?              ?        
1 1 1 4   26 42 o 62.33942 6.198309 205.9304       37.32129 0.000000       0.000000 205.9304       37.32129 ?        ?        62.33942 6.198309 ?              ?        
1 1 1 4   26 43 o 26.48146 9.286077 39.53259       29.75186 0.000000       0.000000 39.53259       29.75186 ?        ?        26.48146 9.286077 ?              ?        
1 1 1 4   26 44 o 28.31830 9.220458 47.17048       29.31273 0.000000       0.000000 47.17048       29.31273 ?        ?        28.31830 9.220458 ?              ?        
1 1 1 4   26 45 o 37.24354 8.720096 81.28445       31.22556 0.000000       0.000000 81.28445       31.22556 ?        ?        37.24354 8.720096 ?              ?        
1 1 1 4   26 46 o 14.94788 7.107457 -27.34435      28.36324 0.000000       0.000000 -27.34435      28.36324 ?        ?        14.94788 7.107457 ?              ?        
1 1 1 4   26 47 o 28.09985 10.49854 46.12000       38.82046 0.000000       0.000000 46.12000       38.82046 ?        ?        28.09985 10.49854 ?              ?        
1 1 1 4   26 48 o 34.99155 11.92505 82.71000       48.92407 0.000000       0.000000 82.71000       48.92407 ?        ?        34.99155 11.92505 ?              ?        
1 1 1 4   26 49 o 21.60065 8.741706 19.14047       28.67550 0.000000       0.000000 19.14047       28.67550 ?        ?        21.60065 8.741706 ?              ?        
1 1 1 4   26 50 o 17.21962 7.724856 -4.168703      26.99931 0.000000       0.000000 -4.168703      26.99931 ?        ?        17.21962 7.724856 ?              ?        
1 1 1 4   26 51 o 25.06501 9.041323 35.89306       28.38960 0.000000       0.000000 35.89306       28.38960 ?        ?        25.06501 9.041323 ?              ?        
1 1 1 4   26 52 o 20.02810 8.335136 14.01338       27.02067 0.000000       0.000000 14.01338       27.02067 ?        ?        20.02810 8.335136 ?              ?        
1 1 1 4   26 53 o 22.26842 8.757628 25.06492       27.96984 0.000000       0.000000 25.06492       27.96984 ?        ?        22.26842 8.757628 ?              ?        
1 1 1 4   27 0  o 87.62975 3.410293 377.3613       29.19575 472.7000       65.84338 354.0288       32.57299 97.51521 6.943592 84.81462 3.934283 12.70058       7.980730 
1 1 1 4   27 1  o 77.83792 3.583847 298.0005       27.23202 248.5000       57.21173 312.5007       30.96474 70.20532 8.498246 79.66753 3.983454 -9.462204      9.385526 
1 1 1 4   27 2  o 124.9568 3.445461 766.8082       42.10162 887.9000       92.14433 734.8583       47.33108 133.7608 7.062777 122.2560 3.960439 11.50474       8.097400 
1 1 1 4   27 3  o 91.73074 4.148752 414.2773       37.15463 379.1000       65.07756 431.2886       45.25535 87.09299 7.713494 93.48111 4.963630 -6.388123      9.172546 
1 1 1 4   27 4  o 170.9517 3.914728 1435.411       65.50603 1312.000       126.6848 1480.449       76.53131 162.3332 7.997418 173.4537 4.511472 -11.12048      9.182161 
1 1 1 4   27 5  o 50.93229 5.216303 129.0960       25.63835 102.9000       49.74411 138.5720       29.91825 44.33831 11.39922 52.66984 5.904744 -8.331528      12.83777 
1 1 1 4   27 6  o 92.14161 3.441472 417.3098       30.98435 475.1000       66.36369 401.2010       35.03761 97.69813 6.985758 90.27769 3.974786 7.420441       8.037395 
1 1 1 4   27 7  o 104.7388 3.877966 539.6928       39.68872 626.7000       75.09534 505.9700       46.75167 112.2823 6.865568 101.2795 4.729011 11.00288       8.336639 
1 1 1 4   27 8  f 155.1220 4.290760 1184.319       65.08733 1163.000       113.2245 1194.841       79.54385 152.8070 7.593706 155.5986 5.230131 -2.791595      9.220554 
1 1 1 4   27 9  o 160.5040 5.297555 1271.928       83.11360 0.000000       0.000000 1271.928       83.11360 ?        ?        160.5040 5.297555 ?              ?        
1 1 1 4   27 10 o 100.2405 3.866520 494.6097       37.86646 0.000000       0.000000 494.6097       37.86646 ?        ?        100.2405 3.866520 ?              ?        
1 1 1 4   27 11 o 104.1315 3.302047 532.9823       33.61417 588.6000       66.34087 513.7712       38.98971 108.8463 6.253061 102.1473 3.906774 6.699074       7.373172 
1 1 1 4   27 12 o 55.33928 5.720207 153.0255       30.53888 156.9000       39.68573 147.4000       47.81973 55.64971 7.474420 53.37040 9.502153 2.279308       12.08958 
1 1 1 4   27 13 o 84.24541 3.294434 349.1754       27.11411 387.2000       53.34222 335.9282       31.48494 88.15060 6.222128 82.54083 3.908075 5.609772       7.347648 
1 1 1 4   27 14 o 57.79657 3.962590 165.1920       22.28187 159.5000       37.32911 168.3425       27.77204 56.18892 6.934157 58.18665 4.922298 -1.997734      8.503619 
1 1 1 4   27 15 o 96.06193 3.436156 454.2991       32.25747 517.9741       44.02661 380.5000       47.39759 102.3935 4.403043 87.47118 5.564711 14.92228       7.095971 
1 1 1 4   27 16 o 128.8462 3.864756 818.3154       48.68651 985.0000       94.43137 757.9656       56.82073 140.3108 6.896865 123.7878 4.697985 16.52299       8.344928 
1 1 1 4   27 17 o 37.23332 4.189906 69.22727       15.00535 0.000000       0.000000 69.22727       15.00535 ?        ?        37.23332 4.189906 ?              ?        
1 1 1 4   27 18 o 164.4358 3.723030 1332.143       59.92377 1557.000       134.6022 1276.561       66.92139 175.6237 7.849857 160.7509 4.256845 14.87282       8.929781 
1 1 1 4   27 19 o 121.4499 5.191299 733.1873       61.57103 825.3000       86.50320 638.6000       87.65742 128.1117 6.923950 112.1174 8.040864 15.99429       10.61115 
1 1 1 4   27 20 o 73.63999 5.876775 272.1254       42.00908 315.0000       55.35570 213.9000       64.50879 78.77163 7.261030 63.36858 10.78618 15.40305       13.00247 
1 1 1 4   27 21 o 71.27420 5.958040 255.6164       41.18642 280.0000       54.06563 221.9000       63.57603 74.01875 7.568749 64.59117 10.40949 9.427574       12.87025 
1 1 1 4   27 22 o 38.57866 11.21292 80.76000       44.85646 80.76000       44.85646 0.000000       0.000000 38.57866 11.21292 ?        ?        ?              ?        
1 1 1 4   27 23 o 40.72750 9.065004 88.68560       35.20758 100.9000       45.30900 70.07000       55.93542 42.94623 10.79266 36.77722 12.74307 6.169010       16.69932 
1 1 1 4   27 24 o 56.68640 6.898224 164.7564       37.48852 197.4000       49.78329 122.0000       56.97504 61.44361 8.505357 46.59801 12.30968 14.84560       14.96227 
1 1 1 4   27 25 o 93.63538 8.218899 453.9000       74.56514 0.000000       0.000000 453.9000       74.56514 ?        ?        93.63538 8.218899 ?              ?        
1 1 1 4   27 26 o 157.3148 5.624263 1243.237       86.46532 1342.000       123.4070 1148.000       121.1842 161.5246 7.828707 148.8730 8.349640 12.65167       11.44575 
1 1 1 4   27 27 o 36.35591 9.491512 72.00429       34.13393 58.06000       43.10889 95.44000       55.88663 33.21865 11.19502 41.05936 12.65540 -7.840714      16.89638 
1 1 1 4   27 28 o 94.26097 5.346791 447.2457       49.13000 462.0000       65.01174 427.6000       75.01830 94.85098 7.052823 90.21750 8.599023 4.633476       11.12140 
1 1 1 4   27 29 o 36.23398 9.290709 71.95307       33.10449 76.98000       41.51936 63.18000       54.84981 37.12604 10.78691 34.77197 12.56398 2.354073       16.55932 
1 1 1 4   27 30 o 70.96645 5.796940 256.4401       39.91728 245.4000       51.28943 273.4000       63.57030 68.35763 7.805113 71.19117 9.348335 -2.833542      12.17831 
1 1 1 4   27 31 o 46.64069 7.750243 115.9884       34.14108 114.6000       42.54364 118.5000       57.22047 45.27570 9.878242 44.57534 12.57276 0.7003555      15.98918 
1 1 1 4   27 32 o 95.63361 5.262147 464.0912       49.06848 451.7000       63.40055 482.6000       77.48625 93.08169 7.010125 94.96833 8.422918 -1.886642      10.95844 
1 1 1 4   27 33 o 47.56732 7.754834 122.0121       34.86389 118.3000       43.14134 129.0000       59.19148 45.53095 9.958028 45.63993 12.75713 -0.1089821     16.18353 
1 1 1 4   27 34 o 53.37415 11.98272 172.3000       61.06467 0.000000       0.000000 172.3000       61.06467 ?        ?        53.37415 11.98272 ?              ?        
1 1 1 4   27 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   27 36 o 23.16802 9.699239 14.79000       36.91053 0.000000       0.000000 14.79000       36.91053 ?        ?        23.16802 9.699239 ?              ?        
1 1 1 4   27 37 o 53.21257 7.034164 151.6868       35.74162 0.000000       0.000000 151.6868       35.74162 ?        ?        53.21257 7.034164 ?              ?        
1 1 1 4   27 38 o 32.36612 12.35454 60.58000       54.42371 0.000000       0.000000 60.58000       54.42371 ?        ?        32.36612 12.35454 ?              ?        
1 1 1 4   27 39 o 33.42951 9.714939 66.09174       33.67405 0.000000       0.000000 66.09174       33.67405 ?        ?        33.42951 9.714939 ?              ?        
1 1 1 4   27 40 o 20.77745 8.776981 10.21063       30.65547 0.000000       0.000000 10.21063       30.65547 ?        ?        20.77745 8.776981 ?              ?        
1 1 1 4   27 41 o 51.10892 7.177947 142.6792       34.92069 0.000000       0.000000 142.6792       34.92069 ?        ?        51.10892 7.177947 ?              ?        
1 1 1 4   27 42 o 25.60289 9.359936 35.69440       30.56412 0.000000       0.000000 35.69440       30.56412 ?        ?        25.60289 9.359936 ?              ?        
1 1 1 4   27 43 o 40.55490 8.218806 94.45667       31.50682 0.000000       0.000000 94.45667       31.50682 ?        ?        40.55490 8.218806 ?              ?        
1 1 1 4   27 44 o 43.35246 7.827481 106.1415       31.99358 0.000000       0.000000 106.1415       31.99358 ?        ?        43.35246 7.827481 ?              ?        
1 1 1 4   27 45 o 46.75681 7.577297 122.6234       33.49301 0.000000       0.000000 122.6234       33.49301 ?        ?        46.75681 7.577297 ?              ?        
1 1 1 4   27 46 o 29.92280 10.78624 55.35000       40.39675 0.000000       0.000000 55.35000       40.39675 ?        ?        29.92280 10.78624 ?              ?        
1 1 1 4   27 47 o 36.14330 11.97761 89.14000       49.37724 0.000000       0.000000 89.14000       49.37724 ?        ?        36.14330 11.97761 ?              ?        
1 1 1 4   27 48 o 48.69766 7.094162 131.6291       32.82227 0.000000       0.000000 131.6291       32.82227 ?        ?        48.69766 7.094162 ?              ?        
1 1 1 4   27 49 o 41.95568 7.902534 100.9871       31.26332 0.000000       0.000000 100.9871       31.26332 ?        ?        41.95568 7.902534 ?              ?        
1 1 1 4   27 50 o 21.19241 8.643535 18.19470       28.29188 0.000000       0.000000 18.19470       28.29188 ?        ?        21.19241 8.643535 ?              ?        
1 1 1 4   27 51 o 12.42110 6.100397 -43.74068      25.60778 0.000000       0.000000 -43.74068      25.60778 ?        ?        12.42110 6.100397 ?              ?        
1 1 1 4   27 52 o 16.17436 7.413058 -9.056972      26.53700 0.000000       0.000000 -9.056972      26.53700 ?        ?        16.17436 7.413058 ?              ?        
1 1 1 4   28 0  o 87.06612 3.382334 372.7647       28.77034 374.8000       62.98866 372.2281       32.34101 86.50872 7.513116 86.94820 3.809273 -0.4394836     8.423626 
1 1 1 4   28 1  f 157.0241 3.720161 1211.497       57.17871 1291.000       120.0493 1188.169       65.02854 160.9051 7.644119 155.3481 4.280615 5.557053       8.761063 
1 1 1 4   28 2  o 101.1058 3.333872 502.4365       32.94860 585.3000       72.63697 480.9696       36.97096 108.4135 6.880413 98.85231 3.828154 9.561218       7.873681 
1 1 1 4   28 3  o 150.1429 4.180007 1109.734       61.37128 1242.000       114.8593 1056.885       72.60430 157.8639 7.454279 146.3182 5.077106 11.54570       9.019052 
1 1 1 4   28 4  o 55.60685 6.421072 155.1348       34.30837 160.0000       50.95491 151.1000       46.40268 55.66336 9.704781 54.23021 9.061163 1.433147       13.27733 
1 1 1 4   28 5  o 71.09979 3.692683 249.0955       25.61095 179.8000       53.81796 269.3827       29.11959 59.08461 9.637556 73.89790 4.041131 -14.81329      10.45051 
1 1 1 4   28 6  o 48.99997 4.663001 119.3553       22.09565 150.9000       49.94312 111.6784       24.63805 53.94915 9.819318 47.24996 5.425522 6.699188       11.21852 
1 1 1 4   28 7  o 117.1076 4.731196 677.1531       54.12117 0.000000       0.000000 677.1531       54.12117 ?        ?        117.1076 4.731196 ?              ?        
1 1 1 4   28 8  o 157.2650 3.756006 1216.214       57.81819 1540.000       131.8755 1139.165       64.33068 175.4774 7.696524 152.0234 4.327565 23.45393       8.829740 
1 1 1 4   28 9  o 79.96703 3.545434 314.9573       27.68251 475.8000       62.87223 276.2774       30.83194 97.63744 6.617746 74.78181 4.229339 22.85564       7.853781 
1 1 1 4   28 10 f 82.83160 4.004811 338.5551       32.37393 0.000000       0.000000 338.5551       32.37393 ?        ?        82.83160 4.004811 ?              ?        
1 1 1 4   28 11 o 80.77242 4.722610 323.1388       37.17515 0.000000       0.000000 323.1388       37.17515 ?        ?        80.77242 4.722610 ?              ?        
1 1 1 4   28 12 o 40.51383 6.471542 83.62366       24.80050 95.94000       36.49456 73.05521       33.80596 42.82727 8.992445 37.27090 9.297723 5.556366       12.93490 
1 1 1 4   28 13 o 35.77639 7.030201 66.07243       23.74060 63.31000       33.98361 68.70567       33.17940 34.73775 9.650169 36.12647 9.321025 -1.388721      13.41668 
1 1 1 4   28 14 o 90.19777 3.204482 400.5337       28.24680 451.6000       55.28867 382.4967       32.85879 95.11044 5.968939 88.03020 3.822523 7.080238       7.088012 
1 1 1 4   28 15 o 68.64152 3.274259 232.3033       21.93573 304.8000       43.76427 207.9794       25.34994 78.09196 5.766086 64.81622 4.015362 13.27574       7.026441 
1 1 1 4   28 16 o 92.91417 4.402171 427.5952       39.92254 0.000000       0.000000 427.5952       39.92254 ?        ?        92.91417 4.402171 ?              ?        
1 1 1 4   28 17 o 111.3597 3.459201 611.4564       37.66026 643.7000       76.04340 600.9779       43.34983 113.0301 6.906200 110.2563 4.023525 2.773819       7.992769 
1 1 1 4   28 18 o 47.33250 3.214976 110.8079       14.80670 0.000000       0.000000 110.8079       14.80670 ?        ?        47.33250 3.214976 ?              ?        
1 1 1 4   28 19 f 84.20828 5.526684 355.0964       45.30212 415.2000       60.60730 279.0000       68.19570 90.53372 6.891017 72.80803 9.819189 17.72569       11.99594 
1 1 1 4   28 20 o 68.56458 6.032610 237.2057       40.07420 266.9000       51.58331 192.0000       63.64572 72.23372 7.400126 59.40250 11.35992 12.83122       13.55764 
1 1 1 4   28 21 o 81.25957 7.199629 337.0000       56.67321 337.0000       56.67321 0.000000       0.000000 81.25957 7.199629 ?        ?        ?              ?        
1 1 1 4   28 22 o 67.61370 5.920615 231.0574       38.78893 212.9000       50.00090 258.5000       61.46997 63.97882 8.170465 70.07347 9.182703 -6.094650      12.29140 
1 1 1 4   28 23 o 91.59165 8.144675 434.2000       72.25829 0.000000       0.000000 434.2000       72.25829 ?        ?        91.59165 8.144675 ?              ?        
1 1 1 4   28 24 o 29.48800 11.91208 29.29000       53.13855 0.000000       0.000000 29.29000       53.13855 ?        ?        29.48800 11.91208 ?              ?        
1 1 1 4   28 25 o 107.7407 5.217106 582.2317       54.85586 554.9000       72.34586 619.2000       84.13860 104.0800 7.144677 109.4293 7.908523 -5.349266      10.65792 
1 1 1 4   28 26 o 25.82061 9.589700 29.53311       32.29673 21.82000       39.66781 44.70000       55.62521 25.73184 10.32799 31.96934 12.41459 -6.237499      16.14897 
1 1 1 4   28 27 o 40.19626 8.889297 87.73191       34.04578 114.7000       42.44083 39.05000       57.02202 45.68999 9.784698 31.19416 12.42901 14.49583       15.81836 
1 1 1 4   28 28 o 50.28445 7.236127 132.3565       34.59192 113.6000       42.59287 168.7000       59.28910 45.31037 9.882491 54.50195 11.47695 -9.191586      15.14543 
1 1 1 4   28 29 o 48.51976 7.311843 124.1212       33.64813 83.02000       41.28836 205.4000       58.06158 38.21412 10.64472 60.93821 10.08659 -22.72409      14.66456 
1 1 1 4   28 30 o 34.37961 9.242653 65.93459       31.77084 52.19000       38.70365 94.33000       55.63014 31.04465 10.60598 39.75278 12.68075 -8.708128      16.53144 
1 1 1 4   28 31 o 104.4116 5.287376 554.1367       53.86157 594.8000       71.76888 501.7000       81.49904 106.8101 6.901581 96.30930 8.740345 10.50082       11.13667 
1 1 1 4   28 32 o 61.29025 11.55133 222.2000       66.75820 0.000000       0.000000 222.2000       66.75820 ?        ?        61.29025 11.55133 ?              ?        
1 1 1 4   28 33 o 65.33437 10.81851 248.2000       66.76642 0.000000       0.000000 248.2000       66.76642 ?        ?        65.33437 10.81851 ?              ?        
1 1 1 4   28 34 o 89.07558 7.382177 423.4000       63.78739 0.000000       0.000000 423.4000       63.78739 ?        ?        89.07558 7.382177 ?              ?        
1 1 1 4   28 35 o 40.47104 8.858068 92.93609       34.11426 0.000000       0.000000 92.93609       34.11426 ?        ?        40.47104 8.858068 ?              ?        
1 1 1 4   28 36 o 26.56762 11.47888 18.13000       54.60621 0.000000       0.000000 18.13000       54.60621 ?        ?        26.56762 11.47888 ?              ?        
1 1 1 4   28 37 o 58.80286 6.750224 184.4979       38.14915 0.000000       0.000000 184.4979       38.14915 ?        ?        58.80286 6.750224 ?              ?        
1 1 1 4   28 38 o 18.38943 8.284723 -7.361419      31.42601 0.000000       0.000000 -7.361419      31.42601 ?        ?        18.38943 8.284723 ?              ?        
1 1 1 4   28 39 f 46.68333 7.936036 121.5250       34.96696 0.000000       0.000000 121.5250       34.96696 ?        ?        46.68333 7.936036 ?              ?        
1 1 1 4   28 40 o 54.35007 7.016020 160.6939       36.45488 0.000000       0.000000 160.6939       36.45488 ?        ?        54.35007 7.016020 ?              ?        
1 1 1 4   28 41 o 36.06071 9.026894 77.15929       31.78552 0.000000       0.000000 77.15929       31.78552 ?        ?        36.06071 9.026894 ?              ?        
1 1 1 4   28 42 o 50.10576 6.988189 137.8118       33.34236 0.000000       0.000000 137.8118       33.34236 ?        ?        50.10576 6.988189 ?              ?        
1 1 1 4   28 43 o 27.02672 9.384253 42.21109       30.34192 0.000000       0.000000 42.21109       30.34192 ?        ?        27.02672 9.384253 ?              ?        
1 1 1 4   28 44 o 29.49199 9.489810 52.55857       31.10565 0.000000       0.000000 52.55857       31.10565 ?        ?        29.49199 9.489810 ?              ?        
1 1 1 4   28 45 o 18.69862 8.265306 0.4534754      29.75664 0.000000       0.000000 0.4534754      29.75664 ?        ?        18.69862 8.265306 ?              ?        
1 1 1 4   28 46 o 60.22294 9.800533 219.1000       55.78738 0.000000       0.000000 219.1000       55.78738 ?        ?        60.22294 9.800533 ?              ?        
1 1 1 4   28 47 o 26.40049 9.278049 40.70217       29.71147 0.000000       0.000000 40.70217       29.71147 ?        ?        26.40049 9.278049 ?              ?        
1 1 1 4   28 48 o 48.57710 7.084443 131.1896       32.69430 0.000000       0.000000 131.1896       32.69430 ?        ?        48.57710 7.084443 ?              ?        
1 1 1 4   28 49 o 28.26765 9.160124 48.78629       28.94955 0.000000       0.000000 48.78629       28.94955 ?        ?        28.26765 9.160124 ?              ?        
1 1 1 4   28 50 o 21.70174 8.631989 22.15513       27.45755 0.000000       0.000000 22.15513       27.45755 ?        ?        21.70174 8.631989 ?              ?        
1 1 1 4   28 51 o 23.67080 8.944626 31.18830       28.35196 0.000000       0.000000 31.18830       28.35196 ?        ?        23.67080 8.944626 ?              ?        
1 1 1 4   29 0  o 83.49342 3.446000 343.2409       28.10213 327.6000       59.96439 347.6430       31.81186 80.60181 7.693748 83.96061 3.881360 -3.358795      8.617349 
1 1 1 4   29 1  o 143.8116 3.581440 1016.981       50.41476 1105.000       106.8774 991.7916       57.17544 148.6072 7.370501 141.8523 4.122187 6.754852       8.444922 
1 1 1 4   29 2  o 133.9972 4.018895 884.8148       52.65231 796.6000       90.67061 929.6964       64.67402 126.1066 7.377744 137.1510 4.825051 -11.04436      8.815454 
1 1 1 4   29 3  f 117.8301 3.897482 684.1316       44.88988 711.9000       82.93890 672.6269       53.38517 119.2633 7.137345 116.6583 4.684710 2.604935       8.537459 
1 1 1 4   29 4  o 113.3924 3.389333 632.6143       37.57653 793.7000       84.78424 593.2379       41.91836 126.0216 6.899599 109.7070 3.909836 16.31460       7.930403 
1 1 1 4   29 5  o 129.5199 4.036925 827.0476       51.11670 757.0000       88.70849 861.8686       62.54445 122.8421 7.412023 132.0094 4.848600 -9.167213      8.857032 
1 1 1 4   29 6  o 118.6224 3.955074 693.7548       45.85848 637.6000       81.12574 720.1245       55.59268 112.6798 7.396292 120.6731 4.715608 -7.993263      8.771665 
1 1 1 4   29 7  o 162.3029 4.415100 1300.552       70.07602 0.000000       0.000000 1300.552       70.07602 ?        ?        162.3029 4.415100 ?              ?        
1 1 1 4   29 8  o 126.6076 3.985200 790.5867       49.32590 906.9000       92.23976 744.0040       58.37346 134.5436 7.028417 122.5823 4.874707 11.96132       8.553445 
1 1 1 4   29 9  o 64.37433 3.962638 204.9810       24.84811 188.0000       52.06601 209.9893       28.27596 60.28291 9.107490 65.06704 4.466762 -4.784126      10.14388 
1 1 1 4   29 10 o 102.5713 3.340278 518.0990       33.49155 417.1000       61.72601 560.2386       39.87082 91.04968 6.979221 106.5638 3.828650 -15.51409      7.960408 
1 1 1 4   29 11 o 23.05317 8.048266 24.22681       22.33363 0.000000       0.000000 24.22681       22.33363 ?        ?        23.05317 8.048266 ?              ?        
1 1 1 4   29 12 o 131.9805 3.452214 858.1399       44.55952 907.8000       88.24717 841.1454       51.62403 134.5305 6.722830 130.5059 4.046135 4.024551       7.846506 
1 1 1 4   29 13 o 94.65668 3.981282 442.9068       36.80523 526.9000       60.08167 392.4544       46.56513 102.6287 6.007169 88.72084 5.387418 13.90788       8.069099 
1 1 1 4   29 14 o 51.59710 3.918330 132.1393       19.64144 145.2000       38.00954 127.3811       22.94195 53.17002 7.512354 50.49962 4.695040 2.670403       8.858829 
1 1 1 4   29 15 o 58.96672 3.511342 171.9996       20.17507 237.6000       40.02689 149.6574       23.35939 68.70405 6.012538 54.81887 4.390030 13.88518       7.444661 
1 1 1 4   29 16 o 62.53201 3.320559 193.2223       20.25163 0.000000       0.000000 193.2223       20.25163 ?        ?        62.53201 3.320559 ?              ?        
1 1 1 4   29 17 o 77.28664 3.092971 294.6163       23.35116 0.000000       0.000000 294.6163       23.35116 ?        ?        77.28664 3.092971 ?              ?        
1 1 1 4   29 18 o 99.44372 3.053541 487.4962       29.68742 0.000000       0.000000 487.4962       29.68742 ?        ?        99.44372 3.053541 ?              ?        
1 1 1 4   29 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   29 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   29 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   29 22 o 25.30360 11.06032 -0.8745000     51.93364 0.000000       0.000000 -0.8745000     51.93364 ?        ?        25.30360 11.06032 ?              ?        
1 1 1 4   29 23 f 48.10327 7.645746 121.2649       34.79648 85.17000       42.87661 190.9000       59.55406 39.15216 10.82548 58.99452 10.70743 -19.84235      15.22630 
1 1 1 4   29 24 o 37.61522 9.096985 77.03643       33.12380 75.94000       40.78824 79.16000       56.76458 36.99264 10.67472 37.82607 12.84585 -0.8334351     16.70226 
1 1 1 4   29 25 o 66.24567 6.129606 224.0194       39.29563 239.8000       49.66371 197.6000       64.25966 67.82501 7.611917 59.26553 11.49205 8.559486       13.78436 
1 1 1 4   29 26 o 84.76350 5.525913 363.6004       45.59793 426.8000       60.64434 281.4000       69.16241 91.07848 6.852756 71.80328 10.12097 19.27520       12.22270 
1 1 1 4   29 27 o 36.84185 9.077683 74.91749       32.52012 51.01000       39.52716 125.0000       57.20996 31.02474 10.71403 45.98420 12.42026 -14.95947      16.40285 
1 1 1 4   29 28 o 62.22774 6.324301 200.0888       37.98689 201.0000       47.65083 198.5000       62.92083 61.35083 8.135256 58.77860 11.34722 2.572231       13.96216 
1 1 1 4   29 29 o 84.26093 8.975571 385.9000       72.88964 0.000000       0.000000 385.9000       72.88964 ?        ?        84.26093 8.975571 ?              ?        
1 1 1 4   29 30 o 78.81215 9.457858 344.6000       71.50545 0.000000       0.000000 344.6000       71.50545 ?        ?        78.81215 9.457858 ?              ?        
1 1 1 4   29 31 o 60.68007 11.46873 218.5000       65.62361 0.000000       0.000000 218.5000       65.62361 ?        ?        60.68007 11.46873 ?              ?        
1 1 1 4   29 32 o 48.08266 8.101167 126.8562       36.77400 0.000000       0.000000 126.8562       36.77400 ?        ?        48.08266 8.101167 ?              ?        
1 1 1 4   29 33 o 33.22985 10.79571 65.34000       40.19603 0.000000       0.000000 65.34000       40.19603 ?        ?        33.22985 10.79571 ?              ?        
1 1 1 4   29 34 o 23.59874 9.331186 23.25834       31.90751 0.000000       0.000000 23.25834       31.90751 ?        ?        23.59874 9.331186 ?              ?        
1 1 1 4   29 35 o 79.63231 9.467350 360.7000       72.35166 0.000000       0.000000 360.7000       72.35166 ?        ?        79.63231 9.467350 ?              ?        
1 1 1 4   29 36 o 33.78391 9.687172 67.66035       33.69149 0.000000       0.000000 67.66035       33.69149 ?        ?        33.78391 9.687172 ?              ?        
1 1 1 4   29 37 o 46.05051 7.958080 118.3044       34.57446 0.000000       0.000000 118.3044       34.57446 ?        ?        46.05051 7.958080 ?              ?        
1 1 1 4   29 38 o 21.63273 8.895659 15.84315       30.27604 0.000000       0.000000 15.84315       30.27604 ?        ?        21.63273 8.895659 ?              ?        
1 1 1 4   29 39 o 31.27996 9.639815 58.87367       32.42740 0.000000       0.000000 58.87367       32.42740 ?        ?        31.27996 9.639815 ?              ?        
1 1 1 4   29 40 o 47.17508 7.676415 124.6932       34.22922 0.000000       0.000000 124.6932       34.22922 ?        ?        47.17508 7.676415 ?              ?        
1 1 1 4   29 41 o 33.94430 9.148025 69.33636       31.07736 0.000000       0.000000 69.33636       31.07736 ?        ?        33.94430 9.148025 ?              ?        
1 1 1 4   29 42 o 16.33226 7.563867 -15.45710      28.66722 0.000000       0.000000 -15.45710      28.66722 ?        ?        16.33226 7.563867 ?              ?        
1 1 1 4   29 43 o 28.87899 10.63391 50.31000       39.56297 0.000000       0.000000 50.31000       39.56297 ?        ?        28.87899 10.63391 ?              ?        
1 1 1 4   29 44 o 27.72742 9.485564 45.77157       30.96047 0.000000       0.000000 45.77157       30.96047 ?        ?        27.72742 9.485564 ?              ?        
1 1 1 4   29 45 o 21.00640 9.664199 -10.33000      45.68987 0.000000       0.000000 -10.33000      45.68987 ?        ?        21.00640 9.664199 ?              ?        
1 1 1 4   29 46 o 27.25792 9.344984 44.34938       30.05346 0.000000       0.000000 44.34938       30.05346 ?        ?        27.25792 9.344984 ?              ?        
1 1 1 4   29 47 o 29.76805 9.119937 53.97298       29.07705 0.000000       0.000000 53.97298       29.07705 ?        ?        29.76805 9.119937 ?              ?        
1 1 1 4   29 48 o 29.50384 9.182801 53.71477       29.34217 0.000000       0.000000 53.71477       29.34217 ?        ?        29.50384 9.182801 ?              ?        
1 1 1 4   29 49 o 29.22852 9.074021 53.15112       28.67126 0.000000       0.000000 53.15112       28.67126 ?        ?        29.22852 9.074021 ?              ?        
1 1 1 4   29 50 o 21.57185 8.608830 22.12911       27.39966 0.000000       0.000000 22.12911       27.39966 ?        ?        21.57185 8.608830 ?              ?        
1 1 1 4   30 0  o 117.9227 3.408402 684.7987       39.30055 671.2000       81.35133 688.9385       44.88583 115.5051 7.231726 118.1698 3.885864 -2.664680      8.209617 
1 1 1 4   30 1  o 71.14566 4.179044 250.5784       28.97442 218.5000       56.54221 262.0017       33.74126 65.00837 9.137696 72.63105 4.772498 -7.622681      10.30894 
1 1 1 4   30 2  o 124.8077 3.945199 768.6738       48.13608 851.3000       91.33317 736.8959       56.64125 130.1304 7.198452 121.9712 4.753368 8.159126       8.626251 
1 1 1 4   30 3  o 59.26830 4.018635 174.0106       23.17562 209.5000       53.75737 165.9087       25.68514 63.71289 8.859282 57.76055 4.580497 5.952335       9.973356 
1 1 1 4   30 4  o 48.75505 5.513310 119.4659       25.84995 167.7000       51.77654 103.4512       29.83424 56.57931 9.697898 44.95246 7.008919 11.62685       11.96554 
1 1 1 4   30 5  o 98.43633 3.940088 478.5737       37.88691 599.3000       74.20734 436.0094       44.06248 109.1577 6.981823 93.73623 4.818536 15.42150       8.483169 
1 1 1 4   30 6  o 148.8929 3.680000 1092.296       53.63250 1046.000       106.6427 1107.970       62.05064 143.9592 7.594946 149.7358 4.237906 -5.776581      8.697301 
1 1 1 4   30 7  o 106.3102 3.421020 556.9807       35.55256 610.2000       74.63876 541.3621       40.43430 110.1099 6.960817 104.6859 3.953087 5.424011       8.004990 
1 1 1 4   30 8  o 52.37134 4.623566 136.7504       23.45839 135.8000       49.67978 137.0232       26.61202 50.45396 10.40523 52.28091 5.272243 -1.826942      11.66470 
1 1 1 4   30 9  o 41.29513 5.541450 86.27983       21.83414 41.94000       45.54528 99.51065       24.87939 30.88053 11.40281 44.31350 5.880890 -13.43297      12.83000 
1 1 1 4   30 10 o 74.24907 3.607244 272.4176       26.13793 252.6000       50.76854 279.5652       30.48926 70.38010 7.484140 75.10072 4.163896 -4.720619      8.564484 
1 1 1 4   30 11 o 47.95787 5.403195 115.8625       24.92302 0.000000       0.000000 115.8625       24.92302 ?        ?        47.95787 5.403195 ?              ?        
1 1 1 4   30 12 f 47.52364 5.332163 113.8083       24.37657 0.000000       0.000000 113.8083       24.37657 ?        ?        47.52364 5.332163 ?              ?        
1 1 1 4   30 13 o 105.5032 3.326648 549.1761       34.31118 675.1000       70.78130 510.4975       39.22832 115.8367 6.265934 101.5468 3.954196 14.28988       7.409291 
1 1 1 4   30 14 o 83.83228 4.086111 348.5516       33.42855 397.6000       52.34260 314.7658       43.44201 88.87021 6.053313 79.17799 5.642278 9.692215       8.275137 
1 1 1 4   30 15 o 53.39607 7.089421 146.5811       36.13856 0.000000       0.000000 146.5811       36.13856 ?        ?        53.39607 7.089421 ?              ?        
1 1 1 4   30 16 o 77.88553 3.187499 299.5261       24.24903 0.000000       0.000000 299.5261       24.24903 ?        ?        77.88553 3.187499 ?              ?        
1 1 1 4   30 17 o 96.11104 3.156831 455.9365       29.65796 0.000000       0.000000 455.9365       29.65796 ?        ?        96.11104 3.156831 ?              ?        
1 1 1 4   30 18 o 116.2902 3.516623 668.8149       39.98304 0.000000       0.000000 668.8149       39.98304 ?        ?        116.2902 3.516623 ?              ?        
1 1 1 4   30 19 o 58.40280 7.039146 175.7843       39.42966 0.000000       0.000000 175.7843       39.42966 ?        ?        58.40280 7.039146 ?              ?        
1 1 1 4   30 20 o 38.09885 11.71439 80.67000       47.91997 0.000000       0.000000 80.67000       47.91997 ?        ?        38.09885 11.71439 ?              ?        
1 1 1 4   30 21 o 82.34647 9.271599 359.8000       73.43456 0.000000       0.000000 359.8000       73.43456 ?        ?        82.34647 9.271599 ?              ?        
1 1 1 4   30 22 o 80.65837 6.046920 330.6622       47.39330 0.000000       0.000000 330.6622       47.39330 ?        ?        80.65837 6.046920 ?              ?        
1 1 1 4   30 23 o 44.33609 9.447376 107.5937       39.74399 0.000000       0.000000 107.5937       39.74399 ?        ?        44.33609 9.447376 ?              ?        
1 1 1 4   30 24 o 28.79756 12.01338 23.35000       56.32597 0.000000       0.000000 23.35000       56.32597 ?        ?        28.79756 12.01338 ?              ?        
1 1 1 4   30 25 o 33.68845 12.70550 57.95000       57.14321 0.000000       0.000000 57.95000       57.14321 ?        ?        33.68845 12.70550 ?              ?        
1 1 1 4   30 26 o 23.49969 9.881966 11.64978       38.57840 0.000000       0.000000 11.64978       38.57840 ?        ?        23.49969 9.881966 ?              ?        
1 1 1 4   30 27 f 37.50590 10.26950 80.74707       38.79932 0.000000       0.000000 80.74707       38.79932 ?        ?        37.50590 10.26950 ?              ?        
1 1 1 4   30 28 o 49.02486 8.657419 132.3509       40.02564 0.000000       0.000000 132.3509       40.02564 ?        ?        49.02486 8.657419 ?              ?        
1 1 1 4   30 29 o 94.51569 5.717273 459.5978       52.64576 0.000000       0.000000 459.5978       52.64576 ?        ?        94.51569 5.717273 ?              ?        
1 1 1 4   30 30 o 30.53264 10.10509 52.87922       35.14852 0.000000       0.000000 52.87922       35.14852 ?        ?        30.53264 10.10509 ?              ?        
1 1 1 4   30 31 o 65.46698 6.543530 225.8587       41.37028 0.000000       0.000000 225.8587       41.37028 ?        ?        65.46698 6.543530 ?              ?        
1 1 1 4   30 32 o 55.56106 9.330801 175.5000       48.94828 0.000000       0.000000 175.5000       48.94828 ?        ?        55.56106 9.330801 ?              ?        
1 1 1 4   30 33 o 27.80228 9.821374 42.45973       33.32528 0.000000       0.000000 42.45973       33.32528 ?        ?        27.80228 9.821374 ?              ?        
1 1 1 4   30 34 o 73.16517 10.17685 312.6000       70.91250 0.000000       0.000000 312.6000       70.91250 ?        ?        73.16517 10.17685 ?              ?        
1 1 1 4   30 35 o 47.73242 8.100386 127.2648       36.49493 0.000000       0.000000 127.2648       36.49493 ?        ?        47.73242 8.100386 ?              ?        
1 1 1 4   30 36 o 24.53117 9.406886 29.47735       31.64771 0.000000       0.000000 29.47735       31.64771 ?        ?        24.53117 9.406886 ?              ?        
1 1 1 4   30 37 o 21.18913 8.849230 13.33693       30.61278 0.000000       0.000000 13.33693       30.61278 ?        ?        21.18913 8.849230 ?              ?        
1 1 1 4   30 38 o 35.11062 9.324577 74.11304       32.58229 0.000000       0.000000 74.11304       32.58229 ?        ?        35.11062 9.324577 ?              ?        
1 1 1 4   30 39 o 29.82224 9.536987 53.62798       31.45069 0.000000       0.000000 53.62798       31.45069 ?        ?        29.82224 9.536987 ?              ?        
1 1 1 4   30 40 o 33.60122 9.228951 68.28240       31.27945 0.000000       0.000000 68.28240       31.27945 ?        ?        33.60122 9.228951 ?              ?        
1 1 1 4   30 41 o 62.41684 6.181844 208.7438       37.27257 0.000000       0.000000 208.7438       37.27257 ?        ?        62.41684 6.181844 ?              ?        
1 1 1 4   30 42 o 19.37189 8.862690 -9.712000      37.70504 0.000000       0.000000 -9.712000      37.70504 ?        ?        19.37189 8.862690 ?              ?        
1 1 1 4   30 43 o 16.83126 7.720022 -11.20591      28.85447 0.000000       0.000000 -11.20591      28.85447 ?        ?        16.83126 7.720022 ?              ?        
1 1 1 4   30 44 o 30.34513 11.59834 58.52000       48.00621 0.000000       0.000000 58.52000       48.00621 ?        ?        30.34513 11.59834 ?              ?        
1 1 1 4   30 45 o 24.17401 9.154315 31.35826       29.73388 0.000000       0.000000 31.35826       29.73388 ?        ?        24.17401 9.154315 ?              ?        
1 1 1 4   30 46 o 34.57106 8.907062 72.45721       30.32696 0.000000       0.000000 72.45721       30.32696 ?        ?        34.57106 8.907062 ?              ?        
1 1 1 4   30 47 o 25.66206 9.087213 38.80143       28.54332 0.000000       0.000000 38.80143       28.54332 ?        ?        25.66206 9.087213 ?              ?        
1 1 1 4   30 48 o 25.32843 9.025852 38.13932       28.19922 0.000000       0.000000 38.13932       28.19922 ?        ?        25.32843 9.025852 ?              ?        
1 1 1 4   30 49 o 41.84236 7.874684 102.9249       31.06868 0.000000       0.000000 102.9249       31.06868 ?        ?        41.84236 7.874684 ?              ?        
1 1 1 4   31 0  o 54.56262 5.995989 150.3620       31.49594 174.3000       52.74979 137.1000       39.26291 57.47751 9.722293 51.43207 8.063941 6.045441       12.63132 
1 1 1 4   31 1  o 76.16702 4.295580 287.8138       31.89564 305.9000       59.37220 280.4766       37.81590 77.30386 7.960155 74.95558 5.186212 2.348282       9.500571 
1 1 1 4   31 2  o 114.1429 3.906360 643.9836       43.57996 653.1000       81.43159 640.3246       51.58963 113.5377 7.367122 113.5850 4.650015 -0.4730225E-01 8.711896 
1 1 1 4   31 3  o 72.10219 4.385049 258.2029       30.80143 164.0000       55.10141 301.0176       37.14727 55.34581 10.55630 77.73299 4.907242 -22.38718      11.64116 
1 1 1 4   31 4  o 81.16544 4.144570 326.5192       32.81834 261.2000       57.11617 358.7136       40.09855 71.17126 8.357847 84.89109 4.845830 -13.71983      9.661039 
1 1 1 4   31 5  o 93.59663 3.439401 432.3764       31.45647 485.5000       67.24942 417.4977       35.59003 97.90218 7.065144 91.84180 3.968330 6.060371       8.103326 
1 1 1 4   31 6  o 82.68064 3.578510 337.8378       28.89234 462.3000       64.51313 306.6110       32.31416 95.54299 6.945751 78.61001 4.215021 16.93298       8.124645 
1 1 1 4   31 7  o 105.9910 3.437457 554.5099       35.61537 619.4000       75.01503 535.6263       40.46712 110.6074 6.964151 104.0178 3.981908 6.589554       8.022156 
1 1 1 4   31 8  o 84.50832 3.544347 352.9807       29.25342 424.2000       62.53805 333.0324       33.09771 91.39127 7.045252 81.93417 4.140346 9.457092       8.171783 
1 1 1 4   31 9  o 43.92830 5.361875 97.57413       22.57790 151.9000       50.08076 83.71587       25.29426 53.26848 9.971329 40.28952 6.645405 12.97896       11.98285 
1 1 1 4   31 10 o 124.1906 3.488974 761.6310       42.37035 729.1000       83.69569 772.8410       49.13126 119.7995 7.170244 124.9188 4.023376 -5.119347      8.221919 
1 1 1 4   31 11 o 33.99097 6.232176 59.75172       19.97137 43.44000       37.19107 66.36138       23.67437 29.79776 10.38697 35.64504 7.035241 -5.847281      12.54527 
1 1 1 4   31 12 o 93.24068 3.953207 430.9967       35.99769 0.000000       0.000000 430.9967       35.99769 ?        ?        93.24068 3.953207 ?              ?        
1 1 1 4   31 13 o 39.13653 5.090848 77.59344       19.04023 115.9000       33.17748 58.78144       23.25007 47.21481 7.423675 33.40158 7.314400 13.81323       10.42168 
1 1 1 4   31 14 o 104.5864 4.026531 542.7584       41.14342 622.5000       66.91899 494.2961       52.16849 111.0079 6.183132 99.26205 5.389530 11.74590       8.202327 
1 1 1 4   31 15 o 34.56287 5.339011 61.07535       17.48108 0.000000       0.000000 61.07535       17.48108 ?        ?        34.56287 5.339011 ?              ?        
1 1 1 4   31 16 o 24.75749 6.286088 32.13170       15.25851 0.000000       0.000000 32.13170       15.25851 ?        ?        24.75749 6.286088 ?              ?        
1 1 1 4   31 17 o 14.71338 5.914872 5.441401       13.03246 0.000000       0.000000 5.441401       13.03246 ?        ?        14.71338 5.914872 ?              ?        
1 1 1 4   31 18 o 71.62742 3.009835 253.4912       21.05519 0.000000       0.000000 253.4912       21.05519 ?        ?        71.62742 3.009835 ?              ?        
1 1 1 4   31 19 o 89.77870 8.488342 423.0000       73.70803 0.000000       0.000000 423.0000       73.70803 ?        ?        89.77870 8.488342 ?              ?        
1 1 1 4   31 20 o 27.05345 11.63586 9.485000       55.61836 0.000000       0.000000 9.485000       55.61836 ?        ?        27.05345 11.63586 ?              ?        
1 1 1 4   31 21 o 60.84227 7.230869 192.6631       42.22148 0.000000       0.000000 192.6631       42.22148 ?        ?        60.84227 7.230869 ?              ?        
1 1 1 4   31 22 o 82.40404 8.150823 357.7000       64.88371 0.000000       0.000000 357.7000       64.88371 ?        ?        82.40404 8.150823 ?              ?        
1 1 1 4   31 23 o 38.07076 13.21682 83.92000       60.18513 0.000000       0.000000 83.92000       60.18513 ?        ?        38.07076 13.21682 ?              ?        
1 1 1 4   31 24 o 57.49488 7.532122 174.9610       41.37059 0.000000       0.000000 174.9610       41.37059 ?        ?        57.49488 7.532122 ?              ?        
1 1 1 4   31 25 o 30.47733 10.44479 50.58932       37.54273 0.000000       0.000000 50.58932       37.54273 ?        ?        30.47733 10.44479 ?              ?        
1 1 1 4   31 26 o 21.69708 9.373343 4.448768       36.40207 0.000000       0.000000 4.448768       36.40207 ?        ?        21.69708 9.373343 ?              ?        
1 1 1 4   31 27 o 58.06226 7.409781 180.4754       41.15369 0.000000       0.000000 180.4754       41.15369 ?        ?        58.06226 7.409781 ?              ?        
1 1 1 4   31 28 o 20.53441 8.987551 0.8001241      34.39191 0.000000       0.000000 0.8001241      34.39191 ?        ?        20.53441 8.987551 ?              ?        
1 1 1 4   31 29 o 40.48415 9.570103 94.86240       37.32092 0.000000       0.000000 94.86240       37.32092 ?        ?        40.48415 9.570103 ?              ?        
1 1 1 4   31 30 o 57.52695 9.432425 188.5000       51.27389 0.000000       0.000000 188.5000       51.27389 ?        ?        57.52695 9.432425 ?              ?        
1 1 1 4   31 31 o 52.82594 10.00973 163.0000       49.86375 0.000000       0.000000 163.0000       49.86375 ?        ?        52.82594 10.00973 ?              ?        
1 1 1 4   31 32 o 26.68287 9.788127 37.68774       33.46850 0.000000       0.000000 37.68774       33.46850 ?        ?        26.68287 9.788127 ?              ?        
1 1 1 4   31 33 o 20.28396 9.676869 -44.92000      53.48055 0.000000       0.000000 -44.92000      53.48055 ?        ?        20.28396 9.676869 ?              ?        
1 1 1 4   31 34 o 44.11741 8.483297 110.7366       35.30347 0.000000       0.000000 110.7366       35.30347 ?        ?        44.11741 8.483297 ?              ?        
1 1 1 4   31 35 o 55.49900 6.910644 166.7317       36.73035 0.000000       0.000000 166.7317       36.73035 ?        ?        55.49900 6.910644 ?              ?        
1 1 1 4   31 36 o 36.36715 9.220522 78.79862       32.86275 0.000000       0.000000 78.79862       32.86275 ?        ?        36.36715 9.220522 ?              ?        
1 1 1 4   31 37 o 32.04667 9.562977 62.58771       32.26884 0.000000       0.000000 62.58771       32.26884 ?        ?        32.04667 9.562977 ?              ?        
1 1 1 4   31 38 f 19.08424 8.358702 2.842210       29.79384 0.000000       0.000000 2.842210       29.79384 ?        ?        19.08424 8.358702 ?              ?        
1 1 1 4   31 39 o 29.68697 9.426243 53.30532       30.76872 0.000000       0.000000 53.30532       30.76872 ?        ?        29.68697 9.426243 ?              ?        
1 1 1 4   31 40 o 57.34438 6.581024 178.8611       36.27081 0.000000       0.000000 178.8611       36.27081 ?        ?        57.34438 6.581024 ?              ?        
1 1 1 4   31 41 o 17.79025 8.368949 -24.12000      37.39560 0.000000       0.000000 -24.12000      37.39560 ?        ?        17.79025 8.368949 ?              ?        
1 1 1 4   31 42 o 37.94972 8.839947 86.08307       32.22405 0.000000       0.000000 86.08307       32.22405 ?        ?        37.94972 8.839947 ?              ?        
1 1 1 4   31 43 o 18.73278 8.921416 -34.06000      45.05251 0.000000       0.000000 -34.06000      45.05251 ?        ?        18.73278 8.921416 ?              ?        
1 1 1 4   31 44 o 34.01755 9.153372 71.04224       31.14334 0.000000       0.000000 71.04224       31.14334 ?        ?        34.01755 9.153372 ?              ?        
1 1 1 4   31 45 o 18.38567 8.089846 2.081914       28.20040 0.000000       0.000000 2.081914       28.20040 ?        ?        18.38567 8.089846 ?              ?        
1 1 1 4   31 46 o 33.03242 9.053782 67.59535       30.13928 0.000000       0.000000 67.59535       30.13928 ?        ?        33.03242 9.053782 ?              ?        
1 1 1 4   31 47 o 18.09731 7.970071 2.757845       27.42828 0.000000       0.000000 2.757845       27.42828 ?        ?        18.09731 7.970071 ?              ?        
1 1 1 4   31 48 o 27.81998 9.156194 48.73731       28.87073 0.000000       0.000000 48.73731       28.87073 ?        ?        27.81998 9.156194 ?              ?        
1 1 1 4   32 0  f 58.28461 4.866506 170.0772       27.51054 190.5000       52.25974 162.2482       32.35678 60.11031 9.172063 56.61140 5.926970 3.498909       10.92043 
1 1 1 4   32 1  o 74.86588 4.267664 278.6181       31.14423 232.4000       55.22483 300.1729       37.71371 66.74068 8.657319 77.49841 4.998301 -10.75773      9.996609 
1 1 1 4   32 2  o 143.3887 5.131482 1025.833       71.90569 0.000000       0.000000 1025.833       71.90569 ?        ?        143.3887 5.131482 ?              ?        
1 1 1 4   32 3  o 30.74605 6.938453 49.59673       20.38381 -1.038000      45.30537 62.44812       22.82446 23.91364 10.39334 34.56470 6.986794 -10.65107      12.52345 
1 1 1 4   32 4  o 37.43612 5.881007 71.81737       20.84038 78.08000       47.57721 70.33044       23.18279 37.87117 11.67744 36.81479 6.679257 1.056374       13.45270 
1 1 1 4   32 5  o 76.39499 3.574952 288.8493       26.65847 266.2000       55.80272 295.5469       30.34515 71.70497 8.091767 77.16157 4.031729 -5.456596      9.040549 
1 1 1 4   32 6  o 71.80375 3.736335 255.5481       26.16993 235.4000       54.95830 261.4562       29.76057 67.14460 8.556211 72.50890 4.211306 -5.364304      9.536448 
1 1 1 4   32 7  o 46.69305 4.995003 109.8185       22.47512 108.1000       48.15269 110.2971       25.41311 44.21218 11.13479 46.60318 5.688809 -2.390999      12.50385 
1 1 1 4   32 8  o 46.37677 5.140729 108.5682       22.94481 63.97000       48.68690 121.3014       26.01490 34.95545 11.89641 48.93998 5.527253 -13.98453      13.11774 
1 1 1 4   32 9  o 39.64063 5.793159 80.40342       21.81446 95.45000       46.90464 76.25058       24.64164 41.44942 11.26764 38.27408 6.827952 3.175339       13.17500 
1 1 1 4   32 10 o 33.51194 6.735722 58.76799       21.32762 81.04000       43.92862 51.89898       24.39580 38.31707 11.08442 31.21140 7.961197 7.105667       13.64716 
1 1 1 4   32 11 o 60.82529 3.952518 184.0823       23.40486 196.5000       43.63774 179.0676       27.73089 61.65143 7.377544 59.76176 4.780440 1.889671       8.790948 
1 1 1 4   32 12 o 93.11600 3.376891 428.8750       30.72754 456.3000       58.26228 418.3073       36.16634 94.82715 6.312898 91.75262 4.036865 3.074532       7.493261 
1 1 1 4   32 13 o 106.7541 3.965912 565.9263       41.36929 0.000000       0.000000 565.9263       41.36929 ?        ?        106.7541 3.965912 ?              ?        
1 1 1 4   32 14 o 55.14895 4.641868 152.6164       24.82503 0.000000       0.000000 152.6164       24.82503 ?        ?        55.14895 4.641868 ?              ?        
1 1 1 4   32 15 o 42.80627 7.152469 95.87162       28.91220 0.000000       0.000000 95.87162       28.91220 ?        ?        42.80627 7.152469 ?              ?        
1 1 1 4   32 16 o 57.69533 3.876783 165.8624       21.76658 0.000000       0.000000 165.8624       21.76658 ?        ?        57.69533 3.876783 ?              ?        
1 1 1 4   32 17 o 92.64694 3.163830 424.5792       28.64921 0.000000       0.000000 424.5792       28.64921 ?        ?        92.64694 3.163830 ?              ?        
1 1 1 4   32 18 o 15.74164 5.454420 11.38465       10.24794 0.000000       0.000000 11.38465       10.24794 ?        ?        15.74164 5.454420 ?              ?        
1 1 1 4   32 19 o 57.66118 7.557045 174.5237       41.62667 0.000000       0.000000 174.5237       41.62667 ?        ?        57.66118 7.557045 ?              ?        
1 1 1 4   32 20 o 26.08093 10.18645 27.48257       37.62148 0.000000       0.000000 27.48257       37.62148 ?        ?        26.08093 10.18645 ?              ?        
1 1 1 4   32 21 o 48.87370 8.751299 130.0902       40.32782 0.000000       0.000000 130.0902       40.32782 ?        ?        48.87370 8.751299 ?              ?        
1 1 1 4   32 22 o 33.18299 10.55377 62.10450       38.55640 0.000000       0.000000 62.10450       38.55640 ?        ?        33.18299 10.55377 ?              ?        
1 1 1 4   32 23 o 29.57135 10.56625 46.26867       38.67155 0.000000       0.000000 46.26867       38.67155 ?        ?        29.57135 10.56625 ?              ?        
1 1 1 4   32 24 o 109.6767 7.955310 643.7000       84.82339 0.000000       0.000000 643.7000       84.82339 ?        ?        109.6767 7.955310 ?              ?        
1 1 1 4   32 25 o 28.89619 12.35504 26.32000       62.02077 0.000000       0.000000 26.32000       62.02077 ?        ?        28.89619 12.35504 ?              ?        
1 1 1 4   32 26 o 21.45301 9.306813 4.241028       36.19073 0.000000       0.000000 4.241028       36.19073 ?        ?        21.45301 9.306813 ?              ?        
1 1 1 4   32 27 o 31.30571 10.35079 56.74450       36.88123 0.000000       0.000000 56.74450       36.88123 ?        ?        31.30571 10.35079 ?              ?        
1 1 1 4   32 28 o 49.39531 8.460773 136.1092       39.43674 0.000000       0.000000 136.1092       39.43674 ?        ?        49.39531 8.460773 ?              ?        
1 1 1 4   32 29 o 31.25125 11.29568 56.84000       44.33960 0.000000       0.000000 56.84000       44.33960 ?        ?        31.25125 11.29568 ?              ?        
1 1 1 4   32 30 o 29.50080 9.986893 50.03624       34.30727 0.000000       0.000000 50.03624       34.30727 ?        ?        29.50080 9.986893 ?              ?        
1 1 1 4   32 31 o 31.95300 12.43675 59.71000       55.92391 0.000000       0.000000 59.71000       55.92391 ?        ?        31.95300 12.43675 ?              ?        
1 1 1 4   32 32 o 19.76589 8.668804 1.629844       32.14111 0.000000       0.000000 1.629844       32.14111 ?        ?        19.76589 8.668804 ?              ?        
1 1 1 4   32 33 o 30.56488 9.681419 55.67400       32.47424 0.000000       0.000000 55.67400       32.47424 ?        ?        30.56488 9.681419 ?              ?        
1 1 1 4   32 34 o 28.11380 9.591411 45.99133       31.65094 0.000000       0.000000 45.99133       31.65094 ?        ?        28.11380 9.591411 ?              ?        
1 1 1 4   32 35 o 42.03027 8.414560 102.0286       33.40923 0.000000       0.000000 102.0286       33.40923 ?        ?        42.03027 8.414560 ?              ?        
1 1 1 4   32 36 o 27.14593 9.544203 42.90313       31.44296 0.000000       0.000000 42.90313       31.44296 ?        ?        27.14593 9.544203 ?              ?        
1 1 1 4   32 37 o 55.67039 6.577684 168.5380       35.15152 0.000000       0.000000 168.5380       35.15152 ?        ?        55.67039 6.577684 ?              ?        
1 1 1 4   32 38 o 34.10255 9.313211 70.80475       31.95811 0.000000       0.000000 70.80475       31.95811 ?        ?        34.10255 9.313211 ?              ?        
1 1 1 4   32 39 o 38.53123 8.991527 89.20908       33.28988 0.000000       0.000000 89.20908       33.28988 ?        ?        38.53123 8.991527 ?              ?        
1 1 1 4   32 40 o 30.35081 10.87869 58.82000       41.02597 0.000000       0.000000 58.82000       41.02597 ?        ?        30.35081 10.87869 ?              ?        
1 1 1 4   32 41 o 37.04633 12.15337 96.61000       50.88153 0.000000       0.000000 96.61000       50.88153 ?        ?        37.04633 12.15337 ?              ?        
1 1 1 4   32 42 o 19.69527 8.476017 8.057202       29.54532 0.000000       0.000000 8.057202       29.54532 ?        ?        19.69527 8.476017 ?              ?        
1 1 1 4   32 43 o 18.87883 8.215180 5.021896       28.37824 0.000000       0.000000 5.021896       28.37824 ?        ?        18.87883 8.215180 ?              ?        
1 1 1 4   32 44 f 35.46248 8.940970 76.88579       31.02317 0.000000       0.000000 76.88579       31.02317 ?        ?        35.46248 8.940970 ?              ?        
1 1 1 4   32 45 o 39.09893 8.399830 91.45262       31.18821 0.000000       0.000000 91.45262       31.18821 ?        ?        39.09893 8.399830 ?              ?        
1 1 1 4   32 46 o 24.66210 9.120147 35.72683       29.15444 0.000000       0.000000 35.72683       29.15444 ?        ?        24.66210 9.120147 ?              ?        
1 1 1 4   32 47 o 26.52889 9.148561 44.06633       28.81635 0.000000       0.000000 44.06633       28.81635 ?        ?        26.52889 9.148561 ?              ?        
1 1 1 4   33 0  o 107.7350 3.369632 573.7792       35.49041 565.0000       73.16499 576.4805       40.58490 105.0919 7.155265 107.8241 3.851595 -2.732155      8.126044 
1 1 1 4   33 1  o 75.42988 5.553864 286.7845       40.71822 231.1000       55.04069 354.1000       60.51656 66.27312 8.694242 82.88996 7.541226 -16.61684      11.50912 
1 1 1 4   33 2  o 70.18611 4.422067 245.8158       30.22522 293.8000       55.19110 225.2593       36.12391 75.42471 7.578238 66.79474 5.576001 8.629974       9.408586 
1 1 1 4   33 3  o 70.76164 3.701298 248.4395       25.54734 180.5000       52.27829 269.7540       29.28185 58.03149 9.534282 73.63709 4.078452 -15.60560      10.36997 
1 1 1 4   33 4  o 52.00445 4.469567 135.4573       22.53114 215.0000       50.74179 115.9225       25.14609 64.06913 8.284940 47.79863 5.473219 16.27050       9.929569 
1 1 1 4   33 5  o 73.06075 3.699891 264.8383       26.37322 294.3000       57.43374 256.9661       29.68834 75.28104 7.912407 71.81046 4.242596 3.470581       8.978073 
1 1 1 4   33 6  o 104.7799 3.466560 543.2819       35.50461 476.9000       71.83418 564.7405       40.84204 96.10137 7.700918 106.6698 3.918305 -10.56845      8.640443 
1 1 1 4   33 7  o 95.37466 3.515103 450.4445       32.75923 521.6000       69.45837 430.0883       37.15074 100.8967 7.077910 92.99902 4.091165 7.897697       8.175234 
1 1 1 4   33 8  o 109.6531 3.965439 597.1811       42.49154 687.0000       79.04477 560.6771       50.39178 115.8707 7.002043 105.8482 4.876842 10.02250       8.533007 
1 1 1 4   33 9  o 42.12283 5.489707 90.48185       22.09659 93.87000       46.34082 89.48481       25.13842 40.88225 11.23500 41.60365 6.375970 -0.7213974     12.91814 
1 1 1 4   33 10 o 97.88577 3.456750 474.4504       33.06827 525.9000       67.97321 458.4984       37.84913 101.3537 6.892608 96.02148 4.035996 5.332245       7.987322 
1 1 1 4   33 11 o 62.76533 3.922368 196.1910       23.97718 197.5000       43.16273 195.6068       28.83563 61.70869 7.286237 62.42036 4.755301 -0.7116623     8.700697 
1 1 1 4   33 12 o 65.93063 3.779364 216.2250       24.28783 271.4000       45.18361 193.8040       28.80296 72.85244 6.401243 62.10546 4.774691 10.74698       7.985837 
1 1 1 4   33 13 o 28.72836 7.932076 44.19572       23.03790 0.000000       0.000000 44.19572       23.03790 ?        ?        28.72836 7.932076 ?              ?        
1 1 1 4   33 14 o 59.86075 4.107615 179.0687       23.92201 0.000000       0.000000 179.0687       23.92201 ?        ?        59.86075 4.107615 ?              ?        
1 1 1 4   33 15 o 43.03388 6.435515 96.20177       26.27695 0.000000       0.000000 96.20177       26.27695 ?        ?        43.03388 6.435515 ?              ?        
1 1 1 4   33 16 o 31.88300 5.674808 52.79573       17.06069 0.000000       0.000000 52.79573       17.06069 ?        ?        31.88300 5.674808 ?              ?        
1 1 1 4   33 17 o 35.88834 4.776837 65.65056       16.36399 0.000000       0.000000 65.65056       16.36399 ?        ?        35.88834 4.776837 ?              ?        
1 1 1 4   33 18 o 47.77008 3.365416 113.6931       15.63553 0.000000       0.000000 113.6931       15.63553 ?        ?        47.77008 3.365416 ?              ?        
1 1 1 4   33 19 o 59.67094 7.434544 188.2650       42.48411 0.000000       0.000000 188.2650       42.48411 ?        ?        59.67094 7.434544 ?              ?        
1 1 1 4   33 20 o 24.04543 9.809980 18.78470       36.45578 0.000000       0.000000 18.78470       36.45578 ?        ?        24.04543 9.809980 ?              ?        
1 1 1 4   33 21 o 60.69850 7.355209 195.8231       42.80930 0.000000       0.000000 195.8231       42.80930 ?        ?        60.69850 7.355209 ?              ?        
1 1 1 4   33 22 o 15.43972 7.500278 -53.03225      35.74232 0.000000       0.000000 -53.03225      35.74232 ?        ?        15.43972 7.500278 ?              ?        
1 1 1 4   33 23 o 27.30756 10.23737 37.57602       36.97781 0.000000       0.000000 37.57602       36.97781 ?        ?        27.30756 10.23737 ?              ?        
1 1 1 4   33 24 o 18.94014 8.682858 -15.88239      36.43763 0.000000       0.000000 -15.88239      36.43763 ?        ?        18.94014 8.682858 ?              ?        
1 1 1 4   33 25 o 57.36842 7.604020 178.5105       41.64895 0.000000       0.000000 178.5105       41.64895 ?        ?        57.36842 7.604020 ?              ?        
1 1 1 4   33 26 o 55.05462 10.95382 181.8000       56.95166 0.000000       0.000000 181.8000       56.95166 ?        ?        55.05462 10.95382 ?              ?        
1 1 1 4   33 27 o 39.28194 13.46151 103.7000       62.36098 0.000000       0.000000 103.7000       62.36098 ?        ?        39.28194 13.46151 ?              ?        
1 1 1 4   33 28 o 59.73184 9.404324 204.8000       53.16843 0.000000       0.000000 204.8000       53.16843 ?        ?        59.73184 9.404324 ?              ?        
1 1 1 4   33 29 f 28.45220 9.958883 45.98000       34.20928 0.000000       0.000000 45.98000       34.20928 ?        ?        28.45220 9.958883 ?              ?        
1 1 1 4   33 30 o 25.31013 11.27295 8.421000       56.40797 0.000000       0.000000 8.421000       56.40797 ?        ?        25.31013 11.27295 ?              ?        
1 1 1 4   33 31 o 16.78923 7.814749 -19.20204      31.19678 0.000000       0.000000 -19.20204      31.19678 ?        ?        16.78923 7.814749 ?              ?        
1 1 1 4   33 32 o 41.04172 8.923278 98.37780       34.82296 0.000000       0.000000 98.37780       34.82296 ?        ?        41.04172 8.923278 ?              ?        
1 1 1 4   33 33 o 20.93127 8.913232 10.72690       32.04658 0.000000       0.000000 10.72690       32.04658 ?        ?        20.93127 8.913232 ?              ?        
1 1 1 4   33 34 o 45.41848 7.887315 117.2164       33.79309 0.000000       0.000000 117.2164       33.79309 ?        ?        45.41848 7.887315 ?              ?        
1 1 1 4   33 35 o 24.12527 9.247378 30.09353       30.57493 0.000000       0.000000 30.09353       30.57493 ?        ?        24.12527 9.247378 ?              ?        
1 1 1 4   33 36 o 55.27690 6.666349 166.7611       35.34188 0.000000       0.000000 166.7611       35.34188 ?        ?        55.27690 6.666349 ?              ?        
1 1 1 4   33 37 o 39.72110 8.738629 93.64803       33.05130 0.000000       0.000000 93.64803       33.05130 ?        ?        39.72110 8.738629 ?              ?        
1 1 1 4   33 38 o 23.58131 9.952312 21.02000       39.35680 0.000000       0.000000 21.02000       39.35680 ?        ?        23.58131 9.952312 ?              ?        
1 1 1 4   33 39 o 38.36285 8.951601 88.70242       32.99680 0.000000       0.000000 88.70242       32.99680 ?        ?        38.36285 8.951601 ?              ?        
1 1 1 4   33 40 o 24.51665 10.66713 19.87000       47.83320 0.000000       0.000000 19.87000       47.83320 ?        ?        24.51665 10.66713 ?              ?        
1 1 1 4   33 41 o 21.23923 8.780512 17.18627       29.70717 0.000000       0.000000 17.18627       29.70717 ?        ?        21.23923 8.780512 ?              ?        
1 1 1 4   33 42 o 49.60654 7.257832 138.5249       34.19865 0.000000       0.000000 138.5249       34.19865 ?        ?        49.60654 7.257832 ?              ?        
1 1 1 4   33 43 o 33.32495 9.114292 69.04515       30.58139 0.000000       0.000000 69.04515       30.58139 ?        ?        33.32495 9.114292 ?              ?        
1 1 1 4   33 44 o 38.80455 8.457919 90.73358       31.21660 0.000000       0.000000 90.73358       31.21660 ?        ?        38.80455 8.457919 ?              ?        
1 1 1 4   33 45 o 36.50334 8.707119 82.37406       30.67360 0.000000       0.000000 82.37406       30.67360 ?        ?        36.50334 8.707119 ?              ?        
1 1 1 4   33 46 o 23.28041 10.42402 16.10000       48.91058 0.000000       0.000000 16.10000       48.91058 ?        ?        23.28041 10.42402 ?              ?        
1 1 1 4   34 0  o 30.90933 8.851537 51.46901       28.14702 0.000000       0.000000 51.46901       28.14702 ?        ?        30.90933 8.851537 ?              ?        
1 1 1 4   34 1  o 158.5886 5.437525 1265.130       84.28234 1225.000       118.6522 1306.000       119.7417 153.7515 7.910665 158.9751 7.718090 -5.223587      11.05204 
1 1 1 4   34 2  o 82.64536 3.523838 338.6346       28.44086 386.0000       60.67094 325.2947       32.19772 86.52475 7.229671 80.82006 4.083279 5.704689       8.303090 
1 1 1 4   34 3  o 52.51421 5.318779 139.7324       26.96320 150.4000       48.38299 134.9270       32.47325 52.54990 9.765588 51.11383 6.647901 1.436069       11.81361 
1 1 1 4   34 4  o 77.72533 3.626863 299.8535       27.51698 316.7000       58.87215 295.1443       31.12623 77.96424 7.819972 76.94618 4.148027 1.018059       8.852011 
1 1 1 4   34 5  o 96.14558 3.481289 458.0786       32.70831 379.8000       65.76123 483.8091       37.70268 85.31034 7.967353 98.65322 3.912161 -13.34288      8.876019 
1 1 1 4   34 6  o 51.05693 4.615080 131.1295       22.81551 169.5000       49.89200 120.9838       25.65519 55.96476 9.443460 48.75809 5.469735 7.206676       10.91315 
1 1 1 4   34 7  o 63.21665 4.080755 199.4923       25.11608 102.3000       49.54915 233.1001       29.13667 42.29804 11.61476 68.25417 4.384373 -25.95613      12.41473 
1 1 1 4   34 8  o 42.13478 5.545237 90.87795       22.31545 73.79000       44.81685 96.51122       25.73218 36.29887 11.35663 43.18960 6.269888 -6.890732      12.97245 
1 1 1 4   34 9  f 89.26492 3.537438 395.4241       30.84715 439.0000       63.15704 381.7721       35.35050 92.22815 7.049459 87.48543 4.139876 4.742722       8.175173 
1 1 1 4   34 10 o 61.66295 4.092916 190.0288       24.56396 207.2000       48.60003 184.1372       28.46784 62.59689 8.123304 60.44239 4.852530 2.154507       9.462300 
1 1 1 4   34 11 o 79.90124 3.583199 317.1932       27.95273 390.9000       53.11876 288.9657       32.87235 87.43340 6.247930 75.94984 4.441164 11.48357       7.665545 
1 1 1 4   34 12 o 57.02131 4.524268 163.5108       25.04492 177.3000       41.16740 155.4085       31.55641 58.15023 7.400016 55.04874 5.950933 3.101494       9.495992 
1 1 1 4   34 13 f 34.21607 8.196043 63.73086       27.08851 0.000000       0.000000 63.73086       27.08851 ?        ?        34.21607 8.196043 ?              ?        
1 1 1 4   34 14 o 38.37781 6.461877 77.29434       23.41274 0.000000       0.000000 77.29434       23.41274 ?        ?        38.37781 6.461877 ?              ?        
1 1 1 4   34 15 o 37.76131 7.989406 77.46662       28.60739 0.000000       0.000000 77.46662       28.60739 ?        ?        37.76131 7.989406 ?              ?        
1 1 1 4   34 16 o 59.30615 11.75797 206.1000       65.84338 0.000000       0.000000 206.1000       65.84338 ?        ?        59.30615 11.75797 ?              ?        
1 1 1 4   34 17 o 24.91385 5.939255 32.98714       14.27833 0.000000       0.000000 32.98714       14.27833 ?        ?        24.91385 5.939255 ?              ?        
1 1 1 4   34 18 f 42.82114 3.516456 91.85825       14.60932 0.000000       0.000000 91.85825       14.60932 ?        ?        42.82114 3.516456 ?              ?        
1 1 1 4   34 19 o 23.57761 9.875287 14.82921       38.28952 0.000000       0.000000 14.82921       38.28952 ?        ?        23.57761 9.875287 ?              ?        
1 1 1 4   34 20 o 57.11284 7.894564 177.2424       42.95449 0.000000       0.000000 177.2424       42.95449 ?        ?        57.11284 7.894564 ?              ?        
1 1 1 4   34 21 o 22.34612 9.499610 10.34099       36.29490 0.000000       0.000000 10.34099       36.29490 ?        ?        22.34612 9.499610 ?              ?        
1 1 1 4   34 22 o 69.05466 6.570011 251.5425       43.87399 0.000000       0.000000 251.5425       43.87399 ?        ?        69.05466 6.570011 ?              ?        
1 1 1 4   34 23 o 19.05121 8.732058 -15.09801      36.82731 0.000000       0.000000 -15.09801      36.82731 ?        ?        19.05121 8.732058 ?              ?        
1 1 1 4   34 24 o 45.96569 9.310919 121.7015       40.45453 0.000000       0.000000 121.7015       40.45453 ?        ?        45.96569 9.310919 ?              ?        
1 1 1 4   34 25 o 67.25426 6.861336 241.9282       44.53635 0.000000       0.000000 241.9282       44.53635 ?        ?        67.25426 6.861336 ?              ?        
1 1 1 4   34 26 o 44.76859 11.15582 124.1000       48.70711 0.000000       0.000000 124.1000       48.70711 ?        ?        44.76859 11.15582 ?              ?        
1 1 1 4   34 27 o 60.15558 9.309970 208.4000       53.04977 0.000000       0.000000 208.4000       53.04977 ?        ?        60.15558 9.309970 ?              ?        
1 1 1 4   34 28 o 37.50106 11.56853 90.47000       46.68759 0.000000       0.000000 90.47000       46.68759 ?        ?        37.50106 11.56853 ?              ?        
1 1 1 4   34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   34 30 o 17.21447 7.959661 -16.07819      31.55786 0.000000       0.000000 -16.07819      31.55786 ?        ?        17.21447 7.959661 ?              ?        
1 1 1 4   34 31 o 42.41372 8.876619 105.5276       35.66707 0.000000       0.000000 105.5276       35.66707 ?        ?        42.41372 8.876619 ?              ?        
1 1 1 4   34 32 o 29.76230 9.736451 54.06403       32.66642 0.000000       0.000000 54.06403       32.66642 ?        ?        29.76230 9.736451 ?              ?        
1 1 1 4   34 33 o 45.57238 7.696979 117.5911       33.11274 0.000000       0.000000 117.5911       33.11274 ?        ?        45.57238 7.696979 ?              ?        
1 1 1 4   34 34 o 52.20288 6.849135 149.9692       34.15407 0.000000       0.000000 149.9692       34.15407 ?        ?        52.20288 6.849135 ?              ?        
1 1 1 4   34 35 o 44.64726 7.911071 114.0086       33.30750 0.000000       0.000000 114.0086       33.30750 ?        ?        44.64726 7.911071 ?              ?        
1 1 1 4   34 36 o 27.70974 9.551039 46.38538       31.40621 0.000000       0.000000 46.38538       31.40621 ?        ?        27.70974 9.551039 ?              ?        
1 1 1 4   34 37 o 27.49153 10.71009 44.24000       41.50360 0.000000       0.000000 44.24000       41.50360 ?        ?        27.49153 10.71009 ?              ?        
1 1 1 4   34 38 o 51.89822 7.051427 149.9041       34.89512 0.000000       0.000000 149.9041       34.89512 ?        ?        51.89822 7.051427 ?              ?        
1 1 1 4   34 39 o 41.51845 12.13675 121.5000       52.41899 0.000000       0.000000 121.5000       52.41899 ?        ?        41.51845 12.13675 ?              ?        
1 1 1 4   34 40 o 37.14664 8.867681 83.86069       31.79518 0.000000       0.000000 83.86069       31.79518 ?        ?        37.14664 8.867681 ?              ?        
1 1 1 4   34 41 o 22.99074 8.972676 26.84843       29.17192 0.000000       0.000000 26.84843       29.17192 ?        ?        22.99074 8.972676 ?              ?        
1 1 1 4   34 42 o 31.35310 9.263345 61.94686       30.39888 0.000000       0.000000 61.94686       30.39888 ?        ?        31.35310 9.263345 ?              ?        
1 1 1 4   34 43 o 15.67271 7.306227 -15.00597      27.43493 0.000000       0.000000 -15.00597      27.43493 ?        ?        15.67271 7.306227 ?              ?        
1 1 1 4   34 44 o 38.42785 8.466130 90.40791       30.98361 0.000000       0.000000 90.40791       30.98361 ?        ?        38.42785 8.466130 ?              ?        
1 1 1 4   35 0  o 36.03364 5.791011 67.22616       19.73343 97.88000       47.26168 60.75372       21.71705 41.28646 11.34608 33.89616 6.782484 7.390305       13.21876 
1 1 1 4   35 1  o 48.03242 5.219224 117.3507       24.14439 0.000000       0.000000 117.3507       24.14439 ?        ?        48.03242 5.219224 ?              ?        
1 1 1 4   35 2  o 47.74530 4.847398 115.3804       22.34036 183.6000       50.46568 98.75296       24.91459 58.23548 9.155018 43.75572 5.972952 14.47976       10.93117 
1 1 1 4   35 3  o 94.48254 3.508511 443.1196       32.39109 416.3000       65.29887 451.8726       37.30413 89.34547 7.536892 95.20784 4.011922 -5.862366      8.538165 
1 1 1 4   35 4  o 93.91521 4.133694 440.2379       37.90663 520.4000       67.12086 402.6972       45.93292 100.4510 6.867797 89.26475 5.280592 11.18626       8.663215 
1 1 1 4   35 5  o 87.08923 3.553833 376.7903       30.23113 370.4000       60.37899 378.9283       34.92397 84.30981 7.391156 87.12045 4.106971 -2.810646      8.455554 
1 1 1 4   35 6  o 35.96942 6.301739 67.70434       21.37887 56.72000       45.21093 70.86788       24.26295 32.57926 11.44537 36.55413 7.036443 -3.974873      13.43533 
1 1 1 4   35 7  o 60.17715 4.204333 181.5161       24.60902 139.9000       49.76302 194.9881       28.31345 49.78225 10.54107 62.20667 4.684380 -12.42443      11.53506 
1 1 1 4   35 8  o 82.59837 3.643901 339.5680       29.38827 389.6000       62.92427 325.6099       33.23581 86.22038 7.531461 80.64816 4.224963 5.572227       8.635579 
1 1 1 4   35 9  o 69.98471 3.881960 244.6462       26.48839 267.5000       52.52973 236.8536       30.67367 71.20068 7.657507 68.58074 4.595911 2.619942       8.930835 
1 1 1 4   35 10 o 31.83052 7.003153 54.31697       21.22583 32.42000       40.26537 62.74342       24.97824 27.23500 10.56619 34.01653 7.683807 -6.781528      13.06466 
1 1 1 4   35 11 o 32.41719 7.107117 56.49765       21.92847 55.99000       35.89157 56.80001       27.69943 31.71571 10.19266 32.04386 8.636862 -0.3281479     13.35985 
1 1 1 4   35 12 o 59.12713 5.638386 179.4791       32.23766 0.000000       0.000000 179.4791       32.23766 ?        ?        59.12713 5.638386 ?              ?        
1 1 1 4   35 13 o 48.64455 4.588957 120.0265       21.59195 0.000000       0.000000 120.0265       21.59195 ?        ?        48.64455 4.588957 ?              ?        
1 1 1 4   35 14 o 31.75930 12.47883 50.61000       56.74432 0.000000       0.000000 50.61000       56.74432 ?        ?        31.75930 12.47883 ?              ?        
1 1 1 4   35 15 o 29.21020 6.235245 45.57082       17.28481 0.000000       0.000000 45.57082       17.28481 ?        ?        29.21020 6.235245 ?              ?        
1 1 1 4   35 16 o 30.29497 7.279429 50.25460       21.31646 0.000000       0.000000 50.25460       21.31646 ?        ?        30.29497 7.279429 ?              ?        
1 1 1 4   35 17 o 47.44617 3.696315 113.1760       17.03093 0.000000       0.000000 113.1760       17.03093 ?        ?        47.44617 3.696315 ?              ?        
1 1 1 4   35 18 o 39.88791 3.608503 80.09682       13.93658 0.000000       0.000000 80.09682       13.93658 ?        ?        39.88791 3.608503 ?              ?        
1 1 1 4   35 19 o 31.85056 10.53375 59.38938       38.19582 0.000000       0.000000 59.38938       38.19582 ?        ?        31.85056 10.53375 ?              ?        
1 1 1 4   35 20 o 53.95324 8.024845 160.2944       41.09164 0.000000       0.000000 160.2944       41.09164 ?        ?        53.95324 8.024845 ?              ?        
1 1 1 4   35 21 o 24.44968 9.998261 22.71779       37.97739 0.000000       0.000000 22.71779       37.97739 ?        ?        24.44968 9.998261 ?              ?        
1 1 1 4   35 22 o 38.40576 10.37523 89.17360       39.91699 0.000000       0.000000 89.17360       39.91699 ?        ?        38.40576 10.37523 ?              ?        
1 1 1 4   35 23 o 53.80478 7.966692 160.2228       40.69090 0.000000       0.000000 160.2228       40.69090 ?        ?        53.80478 7.966692 ?              ?        
1 1 1 4   35 24 o 32.96796 10.11424 65.34533       35.74739 0.000000       0.000000 65.34533       35.74739 ?        ?        32.96796 10.11424 ?              ?        
1 1 1 4   35 25 o 23.51883 10.15644 12.45000       42.70616 0.000000       0.000000 12.45000       42.70616 ?        ?        23.51883 10.15644 ?              ?        
1 1 1 4   35 26 o 70.90668 6.420505 267.9420       44.07933 0.000000       0.000000 267.9420       44.07933 ?        ?        70.90668 6.420505 ?              ?        
1 1 1 4   35 27 o 32.15264 12.65527 64.26000       58.44839 0.000000       0.000000 64.26000       58.44839 ?        ?        32.15264 12.65527 ?              ?        
1 1 1 4   35 28 o 56.45530 7.380273 175.6705       39.80785 0.000000       0.000000 175.6705       39.80785 ?        ?        56.45530 7.380273 ?              ?        
1 1 1 4   35 29 o 26.39496 9.728195 38.97458       33.12345 0.000000       0.000000 38.97458       33.12345 ?        ?        26.39496 9.728195 ?              ?        
1 1 1 4   35 30 o 27.97267 10.77367 45.31000       41.63857 0.000000       0.000000 45.31000       41.63857 ?        ?        27.97267 10.77367 ?              ?        
1 1 1 4   35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   35 32 o 27.55585 9.538521 45.58764       31.33683 0.000000       0.000000 45.58764       31.33683 ?        ?        27.55585 9.538521 ?              ?        
1 1 1 4   35 33 o 34.06878 9.422707 71.53671       32.47927 0.000000       0.000000 71.53671       32.47927 ?        ?        34.06878 9.422707 ?              ?        
1 1 1 4   35 34 o 28.03419 9.629976 47.87973       31.91877 0.000000       0.000000 47.87973       31.91877 ?        ?        28.03419 9.629976 ?              ?        
1 1 1 4   35 35 o 15.82094 7.454540 -22.19497      29.88407 0.000000       0.000000 -22.19497      29.88407 ?        ?        15.82094 7.454540 ?              ?        
1 1 1 4   35 36 o 32.46792 11.10453 70.53000       42.43026 0.000000       0.000000 70.53000       42.43026 ?        ?        32.46792 11.10453 ?              ?        
1 1 1 4   35 37 o 25.86432 9.443470 38.95721       31.09738 0.000000       0.000000 38.95721       31.09738 ?        ?        25.86432 9.443470 ?              ?        
1 1 1 4   35 38 f 25.49103 10.94237 28.37000       49.00455 0.000000       0.000000 28.37000       49.00455 ?        ?        25.49103 10.94237 ?              ?        
1 1 1 4   35 39 o 31.63550 9.372785 62.87432       31.08617 0.000000       0.000000 62.87432       31.08617 ?        ?        31.63550 9.372785 ?              ?        
1 1 1 4   35 40 o 44.70328 7.817798 115.9949       32.96319 0.000000       0.000000 115.9949       32.96319 ?        ?        44.70328 7.817798 ?              ?        
1 1 1 4   35 41 o 37.23246 8.812321 85.31536       31.61338 0.000000       0.000000 85.31536       31.61338 ?        ?        37.23246 8.812321 ?              ?        
1 1 1 4   35 42 o 30.09794 9.275161 58.20944       30.02085 0.000000       0.000000 58.20944       30.02085 ?        ?        30.09794 9.275161 ?              ?        
1 1 1 4   35 43 o 21.81170 8.757142 23.61273       28.52768 0.000000       0.000000 23.61273       28.52768 ?        ?        21.81170 8.757142 ?              ?        
1 1 1 4   36 0  o 40.66422 5.339390 85.07075       20.73955 90.84000       49.61736 83.84938       22.82956 39.12134 11.89927 40.11951 5.997247 -0.9981689     13.32515 
1 1 1 4   36 1  o 27.05423 7.272617 39.51492       19.67168 -11.54000      46.43068 50.68440       21.71716 22.26413 10.04664 30.59534 7.344927 -8.331215      12.44520 
1 1 1 4   36 2  o 31.58332 7.443682 54.09275       22.63274 0.000000       0.000000 54.09275       22.63274 ?        ?        31.58332 7.443682 ?              ?        
1 1 1 4   36 3  o 130.6636 4.074987 853.9818       52.05421 992.0000       98.66643 800.7495       61.27581 137.5627 7.354342 125.8508 4.984098 11.71194       8.884120 
1 1 1 4   36 4  o 86.36343 3.592946 371.7004       30.30660 454.6000       63.85717 347.5990       34.43143 93.22955 7.049859 83.21824 4.240965 10.01131       8.227168 
1 1 1 4   36 5  o 28.28860 8.548655 43.76236       25.66630 13.14000       44.30123 59.23417       31.48959 24.74577 10.50652 32.46516 9.382703 -7.719383      14.08624 
1 1 1 4   36 6  o 66.92891 4.847930 227.1194       31.54443 165.3000       52.87558 261.2788       39.30501 53.77237 10.42228 71.36310 5.673554 -17.59073      11.86647 
1 1 1 4   36 7  o 66.40045 4.046730 221.3296       26.17666 201.0000       54.28178 227.4898       29.88064 60.00317 9.562881 67.08900 4.577643 -7.085835      10.60205 
1 1 1 4   36 8  o 34.65290 6.702039 64.17757       21.91056 130.8000       44.46537 42.81383       25.17970 47.98240 9.799139 27.93213 8.472805 20.05026       12.95421 
1 1 1 4   36 9  o 33.73563 6.712694 60.98574       21.38623 66.60000       40.38434 58.79763       25.21165 33.86435 10.80450 32.63101 7.964402 1.233345       13.42270 
1 1 1 4   36 10 o 23.80423 7.990985 29.47619       21.96539 26.02000       36.97546 31.36104       27.30569 25.22630 10.02248 24.91240 8.881259 0.3139019      13.39130 
1 1 1 4   36 11 f 47.81849 5.971200 119.4001       27.34140 0.000000       0.000000 119.4001       27.34140 ?        ?        47.81849 5.971200 ?              ?        
1 1 1 4   36 12 o 25.96237 10.02264 31.40982       36.09575 0.000000       0.000000 31.40982       36.09575 ?        ?        25.96237 10.02264 ?              ?        
1 1 1 4   36 13 o 16.79468 7.207625 1.970668       21.25225 0.000000       0.000000 1.970668       21.25225 ?        ?        16.79468 7.207625 ?              ?        
1 1 1 4   36 14 o 55.90959 5.087870 160.5632       27.53913 0.000000       0.000000 160.5632       27.53913 ?        ?        55.90959 5.087870 ?              ?        
1 1 1 4   36 15 o 63.51135 3.618645 202.3063       22.40282 0.000000       0.000000 202.3063       22.40282 ?        ?        63.51135 3.618645 ?              ?        
1 1 1 4   36 16 f 32.51103 6.594723 57.17091       20.26762 0.000000       0.000000 57.17091       20.26762 ?        ?        32.51103 6.594723 ?              ?        
1 1 1 4   36 17 o 53.43739 3.518578 143.3407       18.30186 0.000000       0.000000 143.3407       18.30186 ?        ?        53.43739 3.518578 ?              ?        
1 1 1 4   36 18 o 19.49665 5.577126 20.16769       11.18016 0.000000       0.000000 20.16769       11.18016 ?        ?        19.49665 5.577126 ?              ?        
1 1 1 4   36 19 o 30.68412 10.52386 55.35643       38.11526 0.000000       0.000000 55.35643       38.11526 ?        ?        30.68412 10.52386 ?              ?        
1 1 1 4   36 20 o 22.05642 9.387607 11.37779       35.51712 0.000000       0.000000 11.37779       35.51712 ?        ?        22.05642 9.387607 ?              ?        
1 1 1 4   36 21 o 59.30369 7.505878 192.3510       42.59581 0.000000       0.000000 192.3510       42.59581 ?        ?        59.30369 7.505878 ?              ?        
1 1 1 4   36 22 o 30.91035 10.36598 57.20620       36.96314 0.000000       0.000000 57.20620       36.96314 ?        ?        30.91035 10.36598 ?              ?        
1 1 1 4   36 23 o 65.32403 8.529328 241.6000       53.23603 0.000000       0.000000 241.6000       53.23603 ?        ?        65.32403 8.529328 ?              ?        
1 1 1 4   36 24 o 81.19673 7.743930 364.3000       60.80235 0.000000       0.000000 364.3000       60.80235 ?        ?        81.19673 7.743930 ?              ?        
1 1 1 4   36 25 o 46.58579 8.247419 123.6805       36.23171 0.000000       0.000000 123.6805       36.23171 ?        ?        46.58579 8.247419 ?              ?        
1 1 1 4   36 26 o 37.60789 13.09862 99.92000       59.13765 0.000000       0.000000 99.92000       59.13765 ?        ?        37.60789 13.09862 ?              ?        
1 1 1 4   36 27 o 62.72562 6.700702 213.6675       40.50422 0.000000       0.000000 213.6675       40.50422 ?        ?        62.72562 6.700702 ?              ?        
1 1 1 4   36 28 o 45.93619 8.344661 122.2999       36.13903 0.000000       0.000000 122.2999       36.13903 ?        ?        45.93619 8.344661 ?              ?        
1 1 1 4   36 29 o 27.52247 9.727412 45.18003       32.69395 0.000000       0.000000 45.18003       32.69395 ?        ?        27.52247 9.727412 ?              ?        
1 1 1 4   36 30 o 19.34953 8.506629 3.401681       31.11924 0.000000       0.000000 3.401681       31.11924 ?        ?        19.34953 8.506629 ?              ?        
1 1 1 4   36 31 o 25.74046 9.452933 37.82656       31.22931 0.000000       0.000000 37.82656       31.22931 ?        ?        25.74046 9.452933 ?              ?        
1 1 1 4   36 32 o 23.95374 9.362022 29.50310       31.79593 0.000000       0.000000 29.50310       31.79593 ?        ?        23.95374 9.362022 ?              ?        
1 1 1 4   36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   36 34 o 34.44279 9.573790 74.54187       33.43718 0.000000       0.000000 74.54187       33.43718 ?        ?        34.44279 9.573790 ?              ?        
1 1 1 4   36 35 o 32.81702 9.572090 67.83270       32.63744 0.000000       0.000000 67.83270       32.63744 ?        ?        32.81702 9.572090 ?              ?        
1 1 1 4   36 36 o 40.63926 12.26686 118.9000       52.87030 0.000000       0.000000 118.9000       52.87030 ?        ?        40.63926 12.26686 ?              ?        
1 1 1 4   36 37 o 44.65734 8.001971 116.3489       33.69333 0.000000       0.000000 116.3489       33.69333 ?        ?        44.65734 8.001971 ?              ?        
1 1 1 4   36 38 o 33.13694 9.341657 69.07506       31.59758 0.000000       0.000000 69.07506       31.59758 ?        ?        33.13694 9.341657 ?              ?        
1 1 1 4   36 39 o 23.05895 9.016416 27.99081       29.50278 0.000000       0.000000 27.99081       29.50278 ?        ?        23.05895 9.016416 ?              ?        
1 1 1 4   36 40 o 18.77605 8.221590 5.547343       28.80785 0.000000       0.000000 5.547343       28.80785 ?        ?        18.77605 8.221590 ?              ?        
1 1 1 4   36 41 o 35.87302 8.918133 81.27357       31.18065 0.000000       0.000000 81.27357       31.18065 ?        ?        35.87302 8.918133 ?              ?        
1 1 1 4   36 42 o 32.25180 9.286235 68.16360       30.89936 0.000000       0.000000 68.16360       30.89936 ?        ?        32.25180 9.286235 ?              ?        
1 1 1 4   37 0  o 111.2256 3.446319 616.9980       37.47504 652.0000       80.07384 607.1813       42.40577 110.6558 7.435994 110.0186 3.944172 0.6371536      8.417274 
1 1 1 4   37 1  f 79.17735 4.222003 315.9993       32.60263 283.1000       59.12707 330.3719       39.08058 71.77944 8.585591 80.50793 4.983684 -8.728493      9.927209 
1 1 1 4   37 2  o 33.57900 6.533998 60.45779       20.70287 57.23000       47.02475 61.23383       23.05768 31.83125 11.61415 33.49868 7.243308 -1.667435      13.68773 
1 1 1 4   37 3  o 43.62230 5.933640 99.67219       24.67969 0.000000       0.000000 99.67219       24.67969 ?        ?        43.62230 5.933640 ?              ?        
1 1 1 4   37 4  o 51.49883 4.612905 135.0800       23.00693 192.2000       49.96572 119.7110       25.91795 58.64124 8.991213 48.00495 5.622186 10.63630       10.60429 
1 1 1 4   37 5  f 41.13205 5.727664 88.49439       22.43558 65.66000       47.04089 95.21792       25.52581 33.30476 11.67668 42.39561 6.345965 -9.090847      13.28970 
1 1 1 4   37 6  o 71.59941 4.603110 260.4220       32.08929 341.9000       57.15857 222.9229       38.77677 79.88089 7.394154 65.29896 6.138800 14.58193       9.610327 
1 1 1 4   37 7  o 32.25227 7.008038 56.73616       21.49031 42.08000       41.41063 62.13813       25.14073 28.48434 10.79946 33.42261 7.823790 -4.938269      13.33566 
1 1 1 4   37 8  o 64.05894 4.442309 208.2481       27.68192 199.4000       46.59455 213.0747       34.41357 60.29536 8.099543 64.18274 5.531712 -3.887375      9.808284 
1 1 1 4   37 9  o 18.04580 7.404795 8.650620       20.92044 7.452000       33.00529 9.455601       27.04804 21.06956 9.010906 19.92124 8.318767 1.148325       12.26370 
1 1 1 4   37 10 o 44.57028 8.091690 110.1718       34.00154 0.000000       0.000000 110.1718       34.00154 ?        ?        44.57028 8.091690 ?              ?        
1 1 1 4   37 11 o 13.92839 6.482927 -16.07351      21.46679 0.000000       0.000000 -16.07351      21.46679 ?        ?        13.92839 6.482927 ?              ?        
1 1 1 4   37 12 o 21.10568 7.465614 22.12856       19.26088 0.000000       0.000000 22.12856       19.26088 ?        ?        21.10568 7.465614 ?              ?        
1 1 1 4   37 13 o 51.82183 4.380363 136.7633       22.01134 0.000000       0.000000 136.7633       22.01134 ?        ?        51.82183 4.380363 ?              ?        
1 1 1 4   37 14 o 35.69382 5.591800 67.16371       18.89565 0.000000       0.000000 67.16371       18.89565 ?        ?        35.69382 5.591800 ?              ?        
1 1 1 4   37 15 f 86.30415 4.173611 376.9590       35.15284 0.000000       0.000000 376.9590       35.15284 ?        ?        86.30415 4.173611 ?              ?        
1 1 1 4   37 16 o 56.51889 4.579377 163.3994       25.11732 0.000000       0.000000 163.3994       25.11732 ?        ?        56.51889 4.579377 ?              ?        
1 1 1 4   37 17 o 37.07678 4.321640 70.48056       15.39029 0.000000       0.000000 70.48056       15.39029 ?        ?        37.07678 4.321640 ?              ?        
1 1 1 4   37 18 o 8.730275 4.151522 -11.54795      9.682034 0.000000       0.000000 -11.54795      9.682034 ?        ?        8.730275 4.151522 ?              ?        
1 1 1 4   37 19 o 38.96761 9.656674 90.75859       36.64457 0.000000       0.000000 90.75859       36.64457 ?        ?        38.96761 9.656674 ?              ?        
1 1 1 4   37 20 o 32.29678 10.22613 63.78767       36.23428 0.000000       0.000000 63.78767       36.23428 ?        ?        32.29678 10.22613 ?              ?        
1 1 1 4   37 21 o 23.74243 9.520603 24.64849       33.67528 0.000000       0.000000 24.64849       33.67528 ?        ?        23.74243 9.520603 ?              ?        
1 1 1 4   37 22 o 41.00264 10.66155 105.7000       43.18340 0.000000       0.000000 105.7000       43.18340 ?        ?        41.00264 10.66155 ?              ?        
1 1 1 4   37 23 o 36.19512 9.608442 79.66098       34.60570 0.000000       0.000000 79.66098       34.60570 ?        ?        36.19512 9.608442 ?              ?        
1 1 1 4   37 24 o 32.76060 12.44585 71.15000       55.06656 0.000000       0.000000 71.15000       55.06656 ?        ?        32.76060 12.44585 ?              ?        
1 1 1 4   37 25 o 19.65250 9.401657 -40.72000      51.23067 0.000000       0.000000 -40.72000      51.23067 ?        ?        19.65250 9.401657 ?              ?        
1 1 1 4   37 26 o 41.09634 8.712174 100.1159       33.95658 0.000000       0.000000 100.1159       33.95658 ?        ?        41.09634 8.712174 ?              ?        
1 1 1 4   37 27 o 32.72425 9.530091 66.52864       32.37416 0.000000       0.000000 66.52864       32.37416 ?        ?        32.72425 9.530091 ?              ?        
1 1 1 4   37 28 o 16.84457 7.793760 -13.98059      30.32964 0.000000       0.000000 -13.98059      30.32964 ?        ?        16.84457 7.793760 ?              ?        
1 1 1 4   37 29 o 18.36127 8.226343 -2.439245      30.51050 0.000000       0.000000 -2.439245      30.51050 ?        ?        18.36127 8.226343 ?              ?        
1 1 1 4   37 30 o 32.93980 9.623333 68.24239       32.96453 0.000000       0.000000 68.24239       32.96453 ?        ?        32.93980 9.623333 ?              ?        
1 1 1 4   37 31 o 49.66656 7.513174 140.0177       35.38520 0.000000       0.000000 140.0177       35.38520 ?        ?        49.66656 7.513174 ?              ?        
1 1 1 4   37 32 o 52.43126 7.199631 154.4858       35.97469 0.000000       0.000000 154.4858       35.97469 ?        ?        52.43126 7.199631 ?              ?        
1 1 1 4   37 33 o 34.61943 11.08309 81.51000       42.46594 0.000000       0.000000 81.51000       42.46594 ?        ?        34.61943 11.08309 ?              ?        
1 1 1 4   37 34 o 18.38180 8.213411 -0.9322559     30.19596 0.000000       0.000000 -0.9322559     30.19596 ?        ?        18.38180 8.213411 ?              ?        
1 1 1 4   37 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   37 36 o 30.10375 9.622665 57.75351       32.02108 0.000000       0.000000 57.75351       32.02108 ?        ?        30.10375 9.622665 ?              ?        
1 1 1 4   37 37 o 27.81318 9.437502 48.70428       30.63778 0.000000       0.000000 48.70428       30.63778 ?        ?        27.81318 9.437502 ?              ?        
1 1 1 4   37 38 o 54.73043 6.840051 168.5309       35.84547 0.000000       0.000000 168.5309       35.84547 ?        ?        54.73043 6.840051 ?              ?        
1 1 1 4   37 39 o 17.40079 7.851403 -2.531396      28.34986 0.000000       0.000000 -2.531396      28.34986 ?        ?        17.40079 7.851403 ?              ?        
1 1 1 4   37 40 o 33.39846 9.223730 72.36298       31.14756 0.000000       0.000000 72.36298       31.14756 ?        ?        33.39846 9.223730 ?              ?        
1 1 1 4   38 0  o 51.76442 4.359501 136.3277       21.88382 160.7000       48.34221 130.0460       24.54250 52.63258 9.742235 50.22124 5.061559 2.411335       10.97864 
1 1 1 4   38 1  o 81.37367 3.525120 331.6608       28.01126 377.7000       59.84972 318.7473       31.69718 83.73772 7.377234 79.45770 4.089232 4.280022       8.434772 
1 1 1 4   38 2  o 37.56923 5.643428 74.22409       20.11222 45.36000       43.77015 81.94946       22.64431 29.08461 11.08496 39.30179 6.082576 -10.21718      12.64413 
1 1 1 4   38 3  o 38.13647 5.673063 76.51456       20.53310 20.42000       43.35480 92.73502       23.31355 24.98237 10.48883 41.97049 5.832270 -16.98812      12.00129 
1 1 1 4   38 4  o 55.17487 4.962255 156.5366       26.51350 0.000000       0.000000 156.5366       26.51350 ?        ?        55.17487 4.962255 ?              ?        
1 1 1 4   38 5  o 24.36477 7.509468 32.47531       19.67794 17.50000       37.82300 38.03310       23.04193 23.54537 9.835012 26.15490 8.136974 -2.609533      12.76471 
1 1 1 4   38 6  o 24.94255 8.202951 33.94873       23.17390 62.39000       38.18234 17.36231       29.15845 32.28848 10.52409 21.81753 8.820222 10.47095       13.73146 
1 1 1 4   38 7  f 59.24773 5.709175 183.3092       32.69988 169.0000       44.26427 200.5000       48.51700 54.86716 8.518138 59.82042 8.526975 -4.953266      12.05272 
1 1 1 4   38 8  o 28.42328 8.066548 45.70708       23.48019 39.12000       34.92599 51.13947       31.71742 27.01816 9.983816 29.66422 9.586011 -2.646061      13.84082 
1 1 1 4   38 9  o 84.55686 4.265113 362.4784       35.18689 0.000000       0.000000 362.4784       35.18689 ?        ?        84.55686 4.265113 ?              ?        
1 1 1 4   38 10 o 26.78550 8.242537 40.37747       23.71870 0.000000       0.000000 40.37747       23.71870 ?        ?        26.78550 8.242537 ?              ?        
1 1 1 4   38 11 o 33.60511 6.304673 60.92915       19.97678 0.000000       0.000000 60.92915       19.97678 ?        ?        33.60511 6.304673 ?              ?        
1 1 1 4   38 12 o 17.17419 6.900755 9.547322       17.72976 0.000000       0.000000 9.547322       17.72976 ?        ?        17.17419 6.900755 ?              ?        
1 1 1 4   38 13 o 31.67343 6.018509 53.92318       17.97711 0.000000       0.000000 53.92318       17.97711 ?        ?        31.67343 6.018509 ?              ?        
1 1 1 4   38 14 o 22.22564 6.944829 26.72050       16.76518 0.000000       0.000000 26.72050       16.76518 ?        ?        22.22564 6.944829 ?              ?        
1 1 1 4   38 15 o 25.76148 7.992924 37.28839       22.25005 0.000000       0.000000 37.28839       22.25005 ?        ?        25.76148 7.992924 ?              ?        
1 1 1 4   38 16 o 47.16510 4.932454 115.2923       22.43512 0.000000       0.000000 115.2923       22.43512 ?        ?        47.16510 4.932454 ?              ?        
1 1 1 4   38 17 o 51.55719 3.624125 134.2670       18.17285 0.000000       0.000000 134.2670       18.17285 ?        ?        51.55719 3.624125 ?              ?        
1 1 1 4   38 18 o 36.59288 3.783728 68.16184       13.35734 0.000000       0.000000 68.16184       13.35734 ?        ?        36.59288 3.783728 ?              ?        
1 1 1 4   38 19 o 23.21181 9.356016 23.21206       32.70076 0.000000       0.000000 23.21206       32.70076 ?        ?        23.21181 9.356016 ?              ?        
1 1 1 4   38 20 o 26.35292 9.523103 39.21005       31.51331 0.000000       0.000000 39.21005       31.51331 ?        ?        26.35292 9.523103 ?              ?        
1 1 1 4   38 21 o 28.13413 10.46765 46.35000       38.51361 0.000000       0.000000 46.35000       38.51361 ?        ?        28.13413 10.46765 ?              ?        
1 1 1 4   38 22 o 16.35879 7.643364 -19.10695      30.30202 0.000000       0.000000 -19.10695      30.30202 ?        ?        16.35879 7.643364 ?              ?        
1 1 1 4   38 23 o 25.89055 11.20591 26.11000       52.22147 0.000000       0.000000 26.11000       52.22147 ?        ?        25.89055 11.20591 ?              ?        
1 1 1 4   38 24 o 37.59393 9.258299 86.42244       33.83988 0.000000       0.000000 86.42244       33.83988 ?        ?        37.59393 9.258299 ?              ?        
1 1 1 4   38 25 o 56.91939 6.795709 178.6757       37.11470 0.000000       0.000000 178.6757       37.11470 ?        ?        56.91939 6.795709 ?              ?        
1 1 1 4   38 26 o 44.43341 8.285945 115.5253       34.71241 0.000000       0.000000 115.5253       34.71241 ?        ?        44.43341 8.285945 ?              ?        
1 1 1 4   38 27 o 24.24330 9.404702 30.99668       31.89743 0.000000       0.000000 30.99668       31.89743 ?        ?        24.24330 9.404702 ?              ?        
1 1 1 4   38 28 o 29.79333 9.687239 55.84561       32.36173 0.000000       0.000000 55.84561       32.36173 ?        ?        29.79333 9.687239 ?              ?        
1 1 1 4   38 29 o 28.89499 9.800467 52.36515       33.03945 0.000000       0.000000 52.36515       33.03945 ?        ?        28.89499 9.800467 ?              ?        
1 1 1 4   38 30 f 23.70923 9.297061 29.27638       31.44256 0.000000       0.000000 29.27638       31.44256 ?        ?        23.70923 9.297061 ?              ?        
1 1 1 4   38 31 o 28.40444 10.81065 50.93000       41.59413 0.000000       0.000000 50.93000       41.59413 ?        ?        28.40444 10.81065 ?              ?        
1 1 1 4   38 32 o 40.59296 10.76004 109.6000       43.43842 0.000000       0.000000 109.6000       43.43842 ?        ?        40.59296 10.76004 ?              ?        
1 1 1 4   38 33 o 22.95505 9.192083 26.08203       31.34619 0.000000       0.000000 26.08203       31.34619 ?        ?        22.95505 9.192083 ?              ?        
1 1 1 4   38 34 o 17.66452 8.044888 -6.425850      30.61428 0.000000       0.000000 -6.425850      30.61428 ?        ?        17.66452 8.044888 ?              ?        
1 1 1 4   38 35 o 20.93718 8.739036 16.80682       29.83000 0.000000       0.000000 16.80682       29.83000 ?        ?        20.93718 8.739036 ?              ?        
1 1 1 4   38 36 o 25.64260 9.367902 40.13782       30.60818 0.000000       0.000000 40.13782       30.60818 ?        ?        25.64260 9.367902 ?              ?        
1 1 1 4   38 37 o 18.04965 8.453195 -15.96000      37.42595 0.000000       0.000000 -15.96000      37.42595 ?        ?        18.04965 8.453195 ?              ?        
1 1 1 4   38 38 o 51.55274 11.77368 192.6000       58.10378 0.000000       0.000000 192.6000       58.10378 ?        ?        51.55274 11.77368 ?              ?        
1 1 1 4   38 39 o 28.04797 11.51061 56.95000       50.56127 0.000000       0.000000 56.95000       50.56127 ?        ?        28.04797 11.51061 ?              ?        
1 1 1 4   39 0  o 63.80956 3.844656 205.6349       23.90178 181.4000       50.37484 212.6761       27.15287 55.73389 9.579128 64.63905 4.316288 -8.905151      10.50667 
1 1 1 4   39 1  o 46.12779 4.830159 109.8399       21.48574 32.10000       45.87837 131.6801       24.31727 26.79232 10.97651 50.46071 4.988488 -23.66839      12.05690 
1 1 1 4   39 2  o 40.36424 5.515187 85.68503       21.22099 74.58000       47.65694 88.43150       23.70033 34.25449 11.76698 40.69216 6.141294 -6.437668      13.27318 
1 1 1 4   39 3  o 30.24908 6.899815 50.55550       19.97577 41.29000       41.30165 53.38474       22.82271 27.81599 10.72561 30.77518 7.617634 -2.959190      13.15550 
1 1 1 4   39 4  o 28.65176 7.235707 45.86314       20.29412 -43.30000      40.23293 76.29139       23.50323 17.18164 8.249208 37.46649 6.652500 -20.28485      10.59741 
1 1 1 4   39 5  o 48.07504 7.139773 126.1920       32.57890 0.000000       0.000000 126.1920       32.57890 ?        ?        48.07504 7.139773 ?              ?        
1 1 1 4   39 6  o 15.74395 6.993767 -3.615915      21.56618 -10.61000      37.75305 -0.2281073     26.27520 19.58388 8.924715 17.83776 7.830110 1.746120       11.87271 
1 1 1 4   39 7  o 30.70378 9.093287 55.36592       29.26432 0.000000       0.000000 55.36592       29.26432 ?        ?        30.70378 9.093287 ?              ?        
1 1 1 4   39 8  o 49.30412 10.85693 150.0000       50.97580 0.000000       0.000000 150.0000       50.97580 ?        ?        49.30412 10.85693 ?              ?        
1 1 1 4   39 9  o 19.46195 7.792878 13.85798       22.52825 0.000000       0.000000 13.85798       22.52825 ?        ?        19.46195 7.792878 ?              ?        
1 1 1 4   39 10 o 43.83648 4.890893 99.62842       20.62892 0.000000       0.000000 99.62842       20.62892 ?        ?        43.83648 4.890893 ?              ?        
1 1 1 4   39 11 o 36.18584 5.638606 69.54161       19.32115 0.000000       0.000000 69.54161       19.32115 ?        ?        36.18584 5.638606 ?              ?        
1 1 1 4   39 12 f 25.15534 7.057262 35.33157       18.07913 0.000000       0.000000 35.33157       18.07913 ?        ?        25.15534 7.057262 ?              ?        
1 1 1 4   39 13 o 26.90456 6.709890 40.21267       17.60988 0.000000       0.000000 40.21267       17.60988 ?        ?        26.90456 6.709890 ?              ?        
1 1 1 4   39 14 o 26.24066 6.670314 38.24382       17.16699 0.000000       0.000000 38.24382       17.16699 ?        ?        26.24066 6.670314 ?              ?        
1 1 1 4   39 15 o 37.94589 6.387824 78.30445       22.88409 0.000000       0.000000 78.30445       22.88409 ?        ?        37.94589 6.387824 ?              ?        
1 1 1 4   39 16 o 21.68497 7.169529 25.42065       17.69462 0.000000       0.000000 25.42065       17.69462 ?        ?        21.68497 7.169529 ?              ?        
1 1 1 4   39 17 o 35.40448 4.449063 64.93034       15.07855 0.000000       0.000000 64.93034       15.07855 ?        ?        35.40448 4.449063 ?              ?        
1 1 1 4   39 18 o 29.71142 4.422770 46.00105       12.47094 0.000000       0.000000 46.00105       12.47094 ?        ?        29.71142 4.422770 ?              ?        
1 1 1 4   39 19 o 24.85639 10.24560 28.19000       40.28783 0.000000       0.000000 28.19000       40.28783 ?        ?        24.85639 10.24560 ?              ?        
1 1 1 4   39 20 o 17.16448 7.879452 -11.05393      30.14421 0.000000       0.000000 -11.05393      30.14421 ?        ?        17.16448 7.879452 ?              ?        
1 1 1 4   39 21 f 51.63744 7.462449 150.4724       36.62563 0.000000       0.000000 150.4724       36.62563 ?        ?        51.63744 7.462449 ?              ?        
1 1 1 4   39 22 o 22.61164 10.27615 1.228000       49.62092 0.000000       0.000000 1.228000       49.62092 ?        ?        22.61164 10.27615 ?              ?        
1 1 1 4   39 23 o 30.88481 9.797441 60.52302       33.24638 0.000000       0.000000 60.52302       33.24638 ?        ?        30.88481 9.797441 ?              ?        
1 1 1 4   39 24 o 23.90621 9.377689 29.52308       32.00010 0.000000       0.000000 29.52308       32.00010 ?        ?        23.90621 9.377689 ?              ?        
1 1 1 4   39 25 o 24.12687 9.505432 30.17197       33.00204 0.000000       0.000000 30.17197       33.00204 ?        ?        24.12687 9.505432 ?              ?        
1 1 1 4   39 26 o 41.77777 8.624323 104.5525       34.09830 0.000000       0.000000 104.5525       34.09830 ?        ?        41.77777 8.624323 ?              ?        
1 1 1 4   39 27 o 21.00607 8.868255 14.78499       31.26592 0.000000       0.000000 14.78499       31.26592 ?        ?        21.00607 8.868255 ?              ?        
1 1 1 4   39 28 f 32.99282 9.600379 69.30016       32.86557 0.000000       0.000000 69.30016       32.86557 ?        ?        32.99282 9.600379 ?              ?        
1 1 1 4   39 29 o 19.12212 8.373960 5.040190       29.89214 0.000000       0.000000 5.040190       29.89214 ?        ?        19.12212 8.373960 ?              ?        
1 1 1 4   39 30 o 26.80107 10.50286 42.87000       40.10618 0.000000       0.000000 42.87000       40.10618 ?        ?        26.80107 10.50286 ?              ?        
1 1 1 4   39 31 o 19.47719 8.503098 6.806506       30.61311 0.000000       0.000000 6.806506       30.61311 ?        ?        19.47719 8.503098 ?              ?        
1 1 1 4   39 32 o 24.00295 10.62753 18.43000       49.39379 0.000000       0.000000 18.43000       49.39379 ?        ?        24.00295 10.62753 ?              ?        
1 1 1 4   39 33 o 17.30917 7.871405 -5.801040      29.17236 0.000000       0.000000 -5.801040      29.17236 ?        ?        17.30917 7.871405 ?              ?        
1 1 1 4   39 34 o 33.80893 9.361551 73.54405       32.03870 0.000000       0.000000 73.54405       32.03870 ?        ?        33.80893 9.361551 ?              ?        
1 1 1 4   39 35 o 23.54170 9.082607 31.56750       29.62924 0.000000       0.000000 31.56750       29.62924 ?        ?        23.54170 9.082607 ?              ?        
1 1 1 4   39 36 o 32.69767 9.287178 70.08250       31.11117 0.000000       0.000000 70.08250       31.11117 ?        ?        32.69767 9.287178 ?              ?        
1 1 1 4   39 37 o 16.14106 7.465371 -10.01909      27.78794 0.000000       0.000000 -10.01909      27.78794 ?        ?        16.14106 7.465371 ?              ?        
1 1 1 4   40 0  o 40.15184 5.483447 85.12170       20.98838 42.76000       47.37955 95.46407       23.41070 28.27386 11.30809 42.38256 5.794730 -14.10870      12.70637 
1 1 1 4   40 1  o 22.85405 7.559866 28.41776       19.67305 56.45000       43.69616 21.29097       22.03236 30.45412 11.18206 21.09599 7.903555 9.358130       13.69324 
1 1 1 4   40 2  o 39.13786 5.690731 81.39815       21.16251 72.85000       45.17806 83.80105       23.95294 33.62247 11.45940 39.30046 6.450231 -5.677990      13.15004 
1 1 1 4   40 3  o 60.37289 4.806509 188.1785       28.16957 164.8000       49.11555 199.6384       34.38752 52.32317 9.953603 61.49775 5.780398 -9.174576      11.51031 
1 1 1 4   40 4  o 22.99326 8.040020 28.28971       22.29306 -1.974000      39.24411 42.70845       27.08801 20.76428 9.314273 27.15634 8.865108 -6.392061      12.85869 
1 1 1 4   40 5  o 63.72768 4.496047 208.3425       27.86561 184.8000       48.44922 219.9800       34.06357 56.25022 9.110840 64.83125 5.417316 -8.581036      10.59975 
1 1 1 4   40 6  o 32.84547 7.557636 61.21690       23.79254 0.000000       0.000000 61.21690       23.79254 ?        ?        32.84547 7.557636 ?              ?        
1 1 1 4   40 7  o 38.09340 8.510277 84.49530       30.93110 0.000000       0.000000 84.49530       30.93110 ?        ?        38.09340 8.510277 ?              ?        
1 1 1 4   40 8  o 51.53354 5.300778 139.1280       26.35754 0.000000       0.000000 139.1280       26.35754 ?        ?        51.53354 5.300778 ?              ?        
1 1 1 4   40 9  o 20.56746 7.411808 21.30484       19.07293 0.000000       0.000000 21.30484       19.07293 ?        ?        20.56746 7.411808 ?              ?        
1 1 1 4   40 10 o 43.66066 4.874124 99.29288       20.47528 0.000000       0.000000 99.29288       20.47528 ?        ?        43.66066 4.874124 ?              ?        
1 1 1 4   40 11 o 13.97825 6.248622 -4.235224      17.49808 0.000000       0.000000 -4.235224      17.49808 ?        ?        13.97825 6.248622 ?              ?        
1 1 1 4   40 12 o 41.98429 4.834240 91.85769       19.50427 0.000000       0.000000 91.85769       19.50427 ?        ?        41.98429 4.834240 ?              ?        
1 1 1 4   40 13 o 50.50656 4.149807 130.5719       20.33471 0.000000       0.000000 130.5719       20.33471 ?        ?        50.50656 4.149807 ?              ?        
1 1 1 4   40 14 o 12.94481 5.859244 -6.155750      15.93528 0.000000       0.000000 -6.155750      15.93528 ?        ?        12.94481 5.859244 ?              ?        
1 1 1 4   40 15 o 27.11129 7.848086 42.70143       22.01478 0.000000       0.000000 42.70143       22.01478 ?        ?        27.11129 7.848086 ?              ?        
1 1 1 4   40 16 o 16.80398 6.431448 12.02450       14.77444 0.000000       0.000000 12.02450       14.77444 ?        ?        16.80398 6.431448 ?              ?        
1 1 1 4   40 17 o 33.57076 4.810676 59.36690       15.35667 0.000000       0.000000 59.36690       15.35667 ?        ?        33.57076 4.810676 ?              ?        
1 1 1 4   40 18 o 51.50682 3.393006 134.2031       17.01101 0.000000       0.000000 134.2031       17.01101 ?        ?        51.50682 3.393006 ?              ?        
1 1 1 4   40 19 o 17.96581 8.104934 -4.165799      30.19510 0.000000       0.000000 -4.165799      30.19510 ?        ?        17.96581 8.104934 ?              ?        
1 1 1 4   40 20 o 20.37892 9.522600 -16.70000      47.05236 0.000000       0.000000 -16.70000      47.05236 ?        ?        20.37892 9.522600 ?              ?        
1 1 1 4   40 21 o 27.98996 9.715847 48.49905       32.52294 0.000000       0.000000 48.49905       32.52294 ?        ?        27.98996 9.715847 ?              ?        
1 1 1 4   40 22 o 22.88044 9.188646 24.86618       31.41707 0.000000       0.000000 24.86618       31.41707 ?        ?        22.88044 9.188646 ?              ?        
1 1 1 4   40 23 o 32.02356 9.634122 65.39522       32.65067 0.000000       0.000000 65.39522       32.65067 ?        ?        32.02356 9.634122 ?              ?        
1 1 1 4   40 24 o 20.89941 8.832514 14.55474       31.06773 0.000000       0.000000 14.55474       31.06773 ?        ?        20.89941 8.832514 ?              ?        
1 1 1 4   40 25 o 17.24598 7.904129 -9.083091      30.16827 0.000000       0.000000 -9.083091      30.16827 ?        ?        17.24598 7.904129 ?              ?        
1 1 1 4   40 26 o 39.73221 8.878470 96.40092       33.65866 0.000000       0.000000 96.40092       33.65866 ?        ?        39.73221 8.878470 ?              ?        
1 1 1 4   40 27 o 36.47945 9.333181 83.61971       33.45836 0.000000       0.000000 83.61971       33.45836 ?        ?        36.47945 9.333181 ?              ?        
1 1 1 4   40 28 o 34.39447 9.531638 75.48109       33.19816 0.000000       0.000000 75.48109       33.19816 ?        ?        34.39447 9.531638 ?              ?        
1 1 1 4   40 29 o 21.65841 9.487075 12.18000       38.38895 0.000000       0.000000 12.18000       38.38895 ?        ?        21.65841 9.487075 ?              ?        
1 1 1 4   40 30 o 22.40941 9.036858 24.36029       30.52355 0.000000       0.000000 24.36029       30.52355 ?        ?        22.40941 9.036858 ?              ?        
1 1 1 4   40 31 o 26.15768 11.14011 37.17000       50.07017 0.000000       0.000000 37.17000       50.07017 ?        ?        26.15768 11.14011 ?              ?        
1 1 1 4   40 32 o 25.39136 9.267381 39.52025       29.94443 0.000000       0.000000 39.52025       29.94443 ?        ?        25.39136 9.267381 ?              ?        
1 1 1 4   40 33 o 21.92666 8.817522 24.22825       28.97207 0.000000       0.000000 24.22825       28.97207 ?        ?        21.92666 8.817522 ?              ?        
1 1 1 4   40 34 o 47.53962 7.468204 132.7675       33.60741 0.000000       0.000000 132.7675       33.60741 ?        ?        47.53962 7.468204 ?              ?        
1 1 1 4   40 35 o 25.55593 9.140761 41.67015       28.94864 0.000000       0.000000 41.67015       28.94864 ?        ?        25.55593 9.140761 ?              ?        
1 1 1 4   41 0  o 18.81807 7.223347 15.56355       18.67344 18.63000       40.12783 14.71597       21.09689 23.46337 9.982105 19.14285 7.581749 4.320520       12.53496 
1 1 1 4   41 1  o 28.88454 7.744833 48.17407       22.34406 43.39000       40.41588 50.27997       26.81463 27.54536 10.61294 29.07840 8.726843 -1.533033      13.74017 
1 1 1 4   41 2  o 33.98600 7.216612 65.13742       23.26446 0.000000       0.000000 65.13742       23.26446 ?        ?        33.98600 7.216612 ?              ?        
1 1 1 4   41 3  o 36.58015 6.466076 73.36847       22.30558 82.66000       39.50632 69.02041       27.02529 35.90448 10.54759 34.41821 8.148828 1.486267       13.32873 
1 1 1 4   41 4  o 23.91468 7.391341 32.17613       19.04794 24.80000       35.48624 35.16150       22.57591 23.74517 9.681982 24.85794 8.091698 -1.112774      12.61810 
1 1 1 4   41 5  o 31.66514 6.403630 55.24369       19.16498 52.96000       33.96407 56.31050       23.21371 29.39699 9.936889 31.29906 7.644149 -1.902063      12.53694 
1 1 1 4   41 6  o 25.51031 9.283202 36.63049       30.01486 0.000000       0.000000 36.63049       30.01486 ?        ?        25.51031 9.283202 ?              ?        
1 1 1 4   41 7  o 25.60008 8.257587 37.84594       23.54261 0.000000       0.000000 37.84594       23.54261 ?        ?        25.60008 8.257587 ?              ?        
1 1 1 4   41 8  o 19.36070 7.394763 17.12619       19.50545 0.000000       0.000000 17.12619       19.50545 ?        ?        19.36070 7.394763 ?              ?        
1 1 1 4   41 9  o 33.08570 7.565397 62.94452       23.96617 0.000000       0.000000 62.94452       23.96617 ?        ?        33.08570 7.565397 ?              ?        
1 1 1 4   41 10 o 43.19958 4.949009 97.91711       20.54952 0.000000       0.000000 97.91711       20.54952 ?        ?        43.19958 4.949009 ?              ?        
1 1 1 4   41 11 o 55.19752 4.132218 156.3275       22.16386 0.000000       0.000000 156.3275       22.16386 ?        ?        55.19752 4.132218 ?              ?        
1 1 1 4   41 12 o 51.29274 4.257631 135.5987       21.18366 0.000000       0.000000 135.5987       21.18366 ?        ?        51.29274 4.257631 ?              ?        
1 1 1 4   41 13 o 16.72213 6.799703 9.173281       17.44575 0.000000       0.000000 9.173281       17.44575 ?        ?        16.72213 6.799703 ?              ?        
1 1 1 4   41 14 o 46.98767 4.344994 114.2062       19.75759 0.000000       0.000000 114.2062       19.75759 ?        ?        46.98767 4.344994 ?              ?        
1 1 1 4   41 15 o 16.53211 6.495920 10.76313       15.37675 0.000000       0.000000 10.76313       15.37675 ?        ?        16.53211 6.495920 ?              ?        
1 1 1 4   41 16 o 17.19777 6.481520 13.47144       14.86494 0.000000       0.000000 13.47144       14.86494 ?        ?        17.19777 6.481520 ?              ?        
1 1 1 4   41 17 o 17.99865 6.314738 16.51377       13.75933 0.000000       0.000000 16.51377       13.75933 ?        ?        17.99865 6.314738 ?              ?        
1 1 1 4   41 18 o 32.93110 5.039279 57.69189       15.72773 0.000000       0.000000 57.69189       15.72773 ?        ?        32.93110 5.039279 ?              ?        
1 1 1 4   41 19 o 30.04294 11.83790 60.63000       51.19188 0.000000       0.000000 60.63000       51.19188 ?        ?        30.04294 11.83790 ?              ?        
1 1 1 4   41 20 o 45.78540 7.611622 120.7444       32.91504 0.000000       0.000000 120.7444       32.91504 ?        ?        45.78540 7.611622 ?              ?        
1 1 1 4   41 21 o 17.30841 7.808393 -4.078997      28.02631 0.000000       0.000000 -4.078997      28.02631 ?        ?        17.30841 7.808393 ?              ?        
1 1 1 4   41 22 o 37.97054 8.751637 88.01697       31.85963 0.000000       0.000000 88.01697       31.85963 ?        ?        37.97054 8.751637 ?              ?        
1 1 1 4   41 23 o 25.61130 9.286250 39.22946       29.99760 0.000000       0.000000 39.22946       29.99760 ?        ?        25.61130 9.286250 ?              ?        
1 1 1 4   41 24 o 18.36034 8.172379 0.7992184      29.59757 0.000000       0.000000 0.7992184      29.59757 ?        ?        18.36034 8.172379 ?              ?        
1 1 1 4   41 25 o 27.02493 9.561501 45.42166       31.59488 0.000000       0.000000 45.42166       31.59488 ?        ?        27.02493 9.561501 ?              ?        
1 1 1 4   41 26 o 28.36099 9.593028 51.43075       31.65430 0.000000       0.000000 51.43075       31.65430 ?        ?        28.36099 9.593028 ?              ?        
1 1 1 4   41 27 o 30.48173 10.96668 64.29000       41.73605 0.000000       0.000000 64.29000       41.73605 ?        ?        30.48173 10.96668 ?              ?        
1 1 1 4   41 28 o 17.12279 7.843866 -8.065583      29.66175 0.000000       0.000000 -8.065583      29.66175 ?        ?        17.12279 7.843866 ?              ?        
1 1 1 4   41 29 o 21.12371 9.788841 -5.542000      48.12239 0.000000       0.000000 -5.542000      48.12239 ?        ?        21.12371 9.788841 ?              ?        
1 1 1 4   41 30 o 16.86619 7.729360 -7.482264      28.84012 0.000000       0.000000 -7.482264      28.84012 ?        ?        16.86619 7.729360 ?              ?        
1 1 1 4   41 31 o 23.59359 9.059525 32.47013       29.38052 0.000000       0.000000 32.47013       29.38052 ?        ?        23.59359 9.059525 ?              ?        
1 1 1 4   41 32 o 38.04488 8.621509 91.00414       31.36083 0.000000       0.000000 91.00414       31.36083 ?        ?        38.04488 8.621509 ?              ?        
1 1 1 4   41 33 o 31.76519 9.180660 66.62818       30.14764 0.000000       0.000000 66.62818       30.14764 ?        ?        31.76519 9.180660 ?              ?        
1 1 1 4   42 0  o 16.60547 7.148477 3.728660       21.02740 0.000000       0.000000 3.728660       21.02740 ?        ?        16.60547 7.148477 ?              ?        
1 1 1 4   42 1  o 43.47890 4.977707 99.56068       20.80287 118.6000       39.59112 92.29932       24.45012 43.78537 9.510455 41.01649 6.290377 2.768875       11.40253 
1 1 1 4   42 2  o 27.65766 8.905215 46.44353       27.38839 33.48000       36.21719 63.76000       41.85840 25.01161 9.924986 30.95299 11.00017 -5.941374      14.81584 
1 1 1 4   42 3  o 17.57541 6.985879 12.03458       17.97182 4.377000       32.16202 15.51119       21.67084 19.60678 8.632824 19.27950 7.668597 0.3272858      11.54699 
1 1 1 4   42 4  o 28.56113 9.431010 50.65214       30.62104 0.000000       0.000000 50.65214       30.62104 ?        ?        28.56113 9.431010 ?              ?        
1 1 1 4   42 5  o 15.28527 6.929246 -6.555078      22.38992 0.000000       0.000000 -6.555078      22.38992 ?        ?        15.28527 6.929246 ?              ?        
1 1 1 4   42 6  o 28.80364 7.169080 47.72713       20.13217 0.000000       0.000000 47.72713       20.13217 ?        ?        28.80364 7.169080 ?              ?        
1 1 1 4   42 7  o 52.87946 5.168680 147.6704       26.41181 0.000000       0.000000 147.6704       26.41181 ?        ?        52.87946 5.168680 ?              ?        
1 1 1 4   42 8  f 18.31178 7.173395 14.26250       18.70294 0.000000       0.000000 14.26250       18.70294 ?        ?        18.31178 7.173395 ?              ?        
1 1 1 4   42 9  o 23.00891 8.130498 29.66988       22.83964 0.000000       0.000000 29.66988       22.83964 ?        ?        23.00891 8.130498 ?              ?        
1 1 1 4   42 10 o 39.25649 5.474617 82.74957       20.46497 0.000000       0.000000 82.74957       20.46497 ?        ?        39.25649 5.474617 ?              ?        
1 1 1 4   42 11 o 27.36695 6.983867 43.03365       18.76757 0.000000       0.000000 43.03365       18.76757 ?        ?        27.36695 6.983867 ?              ?        
1 1 1 4   42 12 o 16.48183 6.795664 8.063655       17.73094 0.000000       0.000000 8.063655       17.73094 ?        ?        16.48183 6.795664 ?              ?        
1 1 1 4   42 13 o 26.42573 6.928661 40.02657       18.13816 0.000000       0.000000 40.02657       18.13816 ?        ?        26.42573 6.928661 ?              ?        
1 1 1 4   42 14 o 28.84774 6.474199 46.79676       17.83117 0.000000       0.000000 46.79676       17.83117 ?        ?        28.84774 6.474199 ?              ?        
1 1 1 4   42 15 o 29.88766 6.293117 49.88076       17.82751 0.000000       0.000000 49.88076       17.82751 ?        ?        29.88766 6.293117 ?              ?        
1 1 1 4   42 16 o 33.54366 5.100907 60.13103       16.22112 0.000000       0.000000 60.13103       16.22112 ?        ?        33.54366 5.100907 ?              ?        
1 1 1 4   42 17 o 33.14486 5.292430 59.09628       16.59311 0.000000       0.000000 59.09628       16.59311 ?        ?        33.14486 5.292430 ?              ?        
1 1 1 4   42 18 o 34.72719 9.138988 75.57267       31.48099 0.000000       0.000000 75.57267       31.48099 ?        ?        34.72719 9.138988 ?              ?        
1 1 1 4   42 19 o 22.80441 8.973299 26.86296       29.37837 0.000000       0.000000 26.86296       29.37837 ?        ?        22.80441 8.973299 ?              ?        
1 1 1 4   42 20 f 32.21144 9.289559 65.89037       30.89811 0.000000       0.000000 65.89037       30.89811 ?        ?        32.21144 9.289559 ?              ?        
1 1 1 4   42 21 o 28.28664 9.428972 50.70337       30.58928 0.000000       0.000000 50.70337       30.58928 ?        ?        28.28664 9.428972 ?              ?        
1 1 1 4   42 22 o 32.75026 9.387003 68.55253       31.64202 0.000000       0.000000 68.55253       31.64202 ?        ?        32.75026 9.387003 ?              ?        
1 1 1 4   42 23 o 21.23289 8.797710 18.77471       29.91622 0.000000       0.000000 18.77471       29.91622 ?        ?        21.23289 8.797710 ?              ?        
1 1 1 4   42 24 o 30.42518 9.457487 59.90737       31.13477 0.000000       0.000000 59.90737       31.13477 ?        ?        30.42518 9.457487 ?              ?        
1 1 1 4   42 25 o 26.14542 9.236492 42.39983       29.47456 0.000000       0.000000 42.39983       29.47456 ?        ?        26.14542 9.236492 ?              ?        
1 1 1 4   42 26 o 36.84467 10.49903 92.75000       39.69600 0.000000       0.000000 92.75000       39.69600 ?        ?        36.84467 10.49903 ?              ?        
1 1 1 4   42 27 o 18.37009 8.120700 3.775327       28.72976 0.000000       0.000000 3.775327       28.72976 ?        ?        18.37009 8.120700 ?              ?        
1 1 1 4   42 28 o 38.79576 12.58770 121.2000       54.65783 0.000000       0.000000 121.2000       54.65783 ?        ?        38.79576 12.58770 ?              ?        
1 1 1 4   42 29 o 15.95564 7.399341 -11.12847      27.57206 0.000000       0.000000 -11.12847      27.57206 ?        ?        15.95564 7.399341 ?              ?        
1 1 1 4   42 30 o 30.95668 9.128859 63.44470       29.54583 0.000000       0.000000 63.44470       29.54583 ?        ?        30.95668 9.128859 ?              ?        
1 1 1 4   42 31 o 34.77190 8.715896 77.75379       29.60451 0.000000       0.000000 77.75379       29.60451 ?        ?        34.77190 8.715896 ?              ?        
1 1 1 4   43 0  o 21.94791 7.311952 27.04804       18.39580 41.38000       34.39833 21.30728       21.77053 26.22521 9.864915 20.62262 7.827664 5.602592       12.59321 
1 1 1 4   43 1  o 19.52427 7.414421 18.44946       19.53841 56.93000       32.98077 -2.358330      24.25232 29.75910 9.785850 16.46070 7.357510 13.29840       12.24319 
1 1 1 4   43 2  o 28.73894 6.733254 47.02374       18.60749 37.33000       32.35606 51.81389       22.74495 25.29936 9.556424 29.58311 7.759925 -4.283743      12.31023 
1 1 1 4   43 3  o 19.55820 7.929128 15.37215       23.63983 0.000000       0.000000 15.37215       23.63983 ?        ?        19.55820 7.929128 ?              ?        
1 1 1 4   43 4  o 19.89200 7.748531 18.40321       21.72179 0.000000       0.000000 18.40321       21.72179 ?        ?        19.89200 7.748531 ?              ?        
1 1 1 4   43 5  f 32.89970 7.790534 63.82937       24.69790 0.000000       0.000000 63.82937       24.69790 ?        ?        32.89970 7.790534 ?              ?        
1 1 1 4   43 6  o 38.93697 5.651018 81.97581       20.90895 0.000000       0.000000 81.97581       20.90895 ?        ?        38.93697 5.651018 ?              ?        
1 1 1 4   43 7  o 39.87012 5.515583 85.53255       20.94920 0.000000       0.000000 85.53255       20.94920 ?        ?        39.87012 5.515583 ?              ?        
1 1 1 4   43 8  o 27.59736 8.094135 45.61117       23.28095 0.000000       0.000000 45.61117       23.28095 ?        ?        27.59736 8.094135 ?              ?        
1 1 1 4   43 9  o 30.34991 6.668093 52.20845       19.26689 0.000000       0.000000 52.20845       19.26689 ?        ?        30.34991 6.668093 ?              ?        
1 1 1 4   43 10 o 23.43467 7.866138 31.73029       21.28444 0.000000       0.000000 31.73029       21.28444 ?        ?        23.43467 7.866138 ?              ?        
1 1 1 4   43 11 o 20.54458 7.231630 22.82053       18.05538 0.000000       0.000000 22.82053       18.05538 ?        ?        20.54458 7.231630 ?              ?        
1 1 1 4   43 12 o 25.50496 7.071008 37.69850       18.26600 0.000000       0.000000 37.69850       18.26600 ?        ?        25.50496 7.071008 ?              ?        
1 1 1 4   43 13 f 20.01101 7.337295 20.73919       18.80314 0.000000       0.000000 20.73919       18.80314 ?        ?        20.01101 7.337295 ?              ?        
1 1 1 4   43 14 o 26.18253 6.798570 39.41241       17.57572 0.000000       0.000000 39.41241       17.57572 ?        ?        26.18253 6.798570 ?              ?        
1 1 1 4   43 15 o 24.99710 6.662116 35.78077       16.59536 0.000000       0.000000 35.78077       16.59536 ?        ?        24.99710 6.662116 ?              ?        
1 1 1 4   43 16 o 22.49918 6.950357 28.91809       16.84534 0.000000       0.000000 28.91809       16.84534 ?        ?        22.49918 6.950357 ?              ?        
1 1 1 4   43 17 o 29.01361 5.232804 45.56051       14.31418 0.000000       0.000000 45.56051       14.31418 ?        ?        29.01361 5.232804 ?              ?        
1 1 1 4   43 18 o 35.72328 9.033040 79.98742       31.59974 0.000000       0.000000 79.98742       31.59974 ?        ?        35.72328 9.033040 ?              ?        
1 1 1 4   43 19 o 18.83821 8.282313 4.821657       29.50356 0.000000       0.000000 4.821657       29.50356 ?        ?        18.83821 8.282313 ?              ?        
1 1 1 4   43 20 f 34.23072 9.130270 74.48888       31.15403 0.000000       0.000000 74.48888       31.15403 ?        ?        34.23072 9.130270 ?              ?        
1 1 1 4   43 21 o 21.07769 8.771521 18.40402       29.92196 0.000000       0.000000 18.40402       29.92196 ?        ?        21.07769 8.771521 ?              ?        
1 1 1 4   43 22 o 19.65342 8.386093 11.74656       28.46989 0.000000       0.000000 11.74656       28.46989 ?        ?        19.65342 8.386093 ?              ?        
1 1 1 4   43 23 o 25.12598 9.104395 38.52943       28.82808 0.000000       0.000000 38.52943       28.82808 ?        ?        25.12598 9.104395 ?              ?        
1 1 1 4   43 24 o 28.05279 10.28895 53.10000       36.97865 0.000000       0.000000 53.10000       36.97865 ?        ?        28.05279 10.28895 ?              ?        
1 1 1 4   43 25 o 11.52691 5.755218 -59.75705      26.56181 0.000000       0.000000 -59.75705      26.56181 ?        ?        11.52691 5.755218 ?              ?        
1 1 1 4   43 26 o 27.24705 11.50223 50.70000       52.59073 0.000000       0.000000 50.70000       52.59073 ?        ?        27.24705 11.50223 ?              ?        
1 1 1 4   43 27 o 16.34387 7.553543 -9.136194      28.37054 0.000000       0.000000 -9.136194      28.37054 ?        ?        16.34387 7.553543 ?              ?        
1 1 1 4   43 28 f 22.57916 8.902496 29.21229       28.96789 0.000000       0.000000 29.21229       28.96789 ?        ?        22.57916 8.902496 ?              ?        
1 1 1 4   44 0  o 14.75038 6.748901 -8.252842      21.87025 12.79000       32.17753 -26.32000      29.81573 20.63140 8.861747 15.19291 7.241756 5.438480       11.44437 
1 1 1 4   44 1  o 41.84018 5.924984 95.77006       23.58734 0.000000       0.000000 95.77006       23.58734 ?        ?        41.84018 5.924984 ?              ?        
1 1 1 4   44 2  o 20.28444 8.031800 19.03641       23.67011 0.000000       0.000000 19.03641       23.67011 ?        ?        20.28444 8.031800 ?              ?        
1 1 1 4   44 3  o 35.87864 6.143134 71.29221       20.79867 0.000000       0.000000 71.29221       20.79867 ?        ?        35.87864 6.143134 ?              ?        
1 1 1 4   44 4  o 31.67659 6.858541 57.43182       20.64832 0.000000       0.000000 57.43182       20.64832 ?        ?        31.67659 6.858541 ?              ?        
1 1 1 4   44 5  o 14.01335 6.361899 -6.238814      18.95741 0.000000       0.000000 -6.238814      18.95741 ?        ?        14.01335 6.361899 ?              ?        
1 1 1 4   44 6  o 53.48429 4.443716 149.0046       23.05376 0.000000       0.000000 149.0046       23.05376 ?        ?        53.48429 4.443716 ?              ?        
1 1 1 4   44 7  o 21.36065 7.846421 24.64341       21.51867 0.000000       0.000000 24.64341       21.51867 ?        ?        21.36065 7.846421 ?              ?        
1 1 1 4   44 8  o 15.50330 6.703734 2.677765       18.65359 0.000000       0.000000 2.677765       18.65359 ?        ?        15.50330 6.703734 ?              ?        
1 1 1 4   44 9  o 21.88081 8.087819 26.15300       22.92315 0.000000       0.000000 26.15300       22.92315 ?        ?        21.88081 8.087819 ?              ?        
1 1 1 4   44 10 o 25.40202 7.866075 38.51233       21.56137 0.000000       0.000000 38.51233       21.56137 ?        ?        25.40202 7.866075 ?              ?        
1 1 1 4   44 11 f 28.80838 6.818223 47.74303       18.92543 0.000000       0.000000 47.74303       18.92543 ?        ?        28.80838 6.818223 ?              ?        
1 1 1 4   44 12 o 39.38348 5.782592 84.73496       21.62822 0.000000       0.000000 84.73496       21.62822 ?        ?        39.38348 5.782592 ?              ?        
1 1 1 4   44 13 o 30.52549 6.459549 52.73437       18.69770 0.000000       0.000000 52.73437       18.69770 ?        ?        30.52549 6.459549 ?              ?        
1 1 1 4   44 14 o 18.60294 7.314024 15.36973       19.50398 0.000000       0.000000 15.36973       19.50398 ?        ?        18.60294 7.314024 ?              ?        
1 1 1 4   44 15 o 38.78671 4.969360 80.13483       18.43356 0.000000       0.000000 80.13483       18.43356 ?        ?        38.78671 4.969360 ?              ?        
1 1 1 4   44 16 o 11.19437 5.202599 -9.558965      13.74454 0.000000       0.000000 -9.558965      13.74454 ?        ?        11.19437 5.202599 ?              ?        
1 1 1 4   44 17 o 23.11344 9.022698 29.44906       29.50373 0.000000       0.000000 29.44906       29.50373 ?        ?        23.11344 9.022698 ?              ?        
1 1 1 4   44 18 o 27.90870 9.350733 50.24903       30.07804 0.000000       0.000000 50.24903       30.07804 ?        ?        27.90870 9.350733 ?              ?        
1 1 1 4   44 19 o 15.76771 7.351779 -14.29172      27.79722 0.000000       0.000000 -14.29172      27.79722 ?        ?        15.76771 7.351779 ?              ?        
1 1 1 4   44 20 o 20.56556 8.569613 17.40523       28.61450 0.000000       0.000000 17.40523       28.61450 ?        ?        20.56556 8.569613 ?              ?        
1 1 1 4   44 21 o 29.66676 9.296186 57.81451       30.01781 0.000000       0.000000 57.81451       30.01781 ?        ?        29.66676 9.296186 ?              ?        
1 1 1 4   44 22 o 24.29329 9.113221 36.05239       29.31267 0.000000       0.000000 36.05239       29.31267 ?        ?        24.29329 9.113221 ?              ?        
1 1 1 4   44 23 o 31.50011 10.35906 70.66000       36.95740 0.000000       0.000000 70.66000       36.95740 ?        ?        31.50011 10.35906 ?              ?        
1 1 1 4   44 24 o 20.37934 8.494417 18.31543       28.12611 0.000000       0.000000 18.31543       28.12611 ?        ?        20.37934 8.494417 ?              ?        
1 1 1 4   44 25 o 16.12492 7.969630 -64.71000      46.08648 0.000000       0.000000 -64.71000      46.08648 ?        ?        16.12492 7.969630 ?              ?        
1 1 1 4   44 26 o 27.04621 9.238759 49.46444       29.36801 0.000000       0.000000 49.46444       29.36801 ?        ?        27.04621 9.238759 ?              ?        
1 1 1 4   45 0  o 24.42281 7.485366 35.19930       19.58561 0.000000       0.000000 35.19930       19.58561 ?        ?        24.42281 7.485366 ?              ?        
1 1 1 4   45 1  o 23.63103 9.133857 31.44078       30.00472 0.000000       0.000000 31.44078       30.00472 ?        ?        23.63103 9.133857 ?              ?        
1 1 1 4   45 2  o 24.18805 7.565301 34.53418       19.88972 0.000000       0.000000 34.53418       19.88972 ?        ?        24.18805 7.565301 ?              ?        
1 1 1 4   45 3  o 27.84109 7.302921 45.70356       20.14491 0.000000       0.000000 45.70356       20.14491 ?        ?        27.84109 7.302921 ?              ?        
1 1 1 4   45 4  o 32.06389 6.718036 58.77216       20.40852 0.000000       0.000000 58.77216       20.40852 ?        ?        32.06389 6.718036 ?              ?        
1 1 1 4   45 5  o 15.86964 6.804048 4.241626       18.90486 0.000000       0.000000 4.241626       18.90486 ?        ?        15.86964 6.804048 ?              ?        
1 1 1 4   45 6  o 37.35543 5.913978 76.85855       20.90491 0.000000       0.000000 76.85855       20.90491 ?        ?        37.35543 5.913978 ?              ?        
1 1 1 4   45 7  o 25.73400 7.335964 39.10488       19.37653 0.000000       0.000000 39.10488       19.37653 ?        ?        25.73400 7.335964 ?              ?        
1 1 1 4   45 8  o 32.43499 6.583203 59.81781       20.18559 0.000000       0.000000 59.81781       20.18559 ?        ?        32.43499 6.583203 ?              ?        
1 1 1 4   45 9  o 27.28190 8.176764 45.60554       23.55251 0.000000       0.000000 45.60554       23.55251 ?        ?        27.28190 8.176764 ?              ?        
1 1 1 4   45 10 o 25.31875 7.753058 38.51718       21.01744 0.000000       0.000000 38.51718       21.01744 ?        ?        25.31875 7.753058 ?              ?        
1 1 1 4   45 11 o 24.52468 9.411250 35.81000       31.69277 0.000000       0.000000 35.81000       31.69277 ?        ?        24.52468 9.411250 ?              ?        
1 1 1 4   45 12 o 19.87667 7.225523 21.10741       18.17694 0.000000       0.000000 21.10741       18.17694 ?        ?        19.87667 7.225523 ?              ?        
1 1 1 4   45 13 o 23.68347 7.754967 33.33655       20.72120 0.000000       0.000000 33.33655       20.72120 ?        ?        23.68347 7.754967 ?              ?        
1 1 1 4   45 14 o 20.72645 7.048830 24.11567       17.09243 0.000000       0.000000 24.11567       17.09243 ?        ?        20.72645 7.048830 ?              ?        
1 1 1 4   45 15 f 27.37442 6.508853 43.03048       17.18371 0.000000       0.000000 43.03048       17.18371 ?        ?        27.37442 6.508853 ?              ?        
1 1 1 4   45 16 o 17.07487 6.608536 13.14035       15.72237 0.000000       0.000000 13.14035       15.72237 ?        ?        17.07487 6.608536 ?              ?        
1 1 1 4   45 17 o 28.76477 9.268314 54.46662       29.66383 0.000000       0.000000 54.46662       29.66383 ?        ?        28.76477 9.268314 ?              ?        
1 1 1 4   45 18 o 40.96875 8.244512 102.9861       31.91564 0.000000       0.000000 102.9861       31.91564 ?        ?        40.96875 8.244512 ?              ?        
1 1 1 4   45 19 o 41.50733 8.204921 105.8741       32.15335 0.000000       0.000000 105.8741       32.15335 ?        ?        41.50733 8.204921 ?              ?        
1 1 1 4   45 20 o 17.81368 7.936834 2.901315       27.98646 0.000000       0.000000 2.901315       27.98646 ?        ?        17.81368 7.936834 ?              ?        
1 1 1 4   45 21 o 32.52560 10.47011 77.47000       37.86147 0.000000       0.000000 77.47000       37.86147 ?        ?        32.52560 10.47011 ?              ?        
1 1 1 4   45 22 o 38.86000 8.381495 95.26865       30.94270 0.000000       0.000000 95.26865       30.94270 ?        ?        38.86000 8.381495 ?              ?        
1 1 1 4   45 23 o 28.55528 11.50635 65.76000       49.44342 0.000000       0.000000 65.76000       49.44342 ?        ?        28.55528 11.50635 ?              ?        
1 1 1 4   46 0  o 38.53719 8.882551 93.65250       32.81897 0.000000       0.000000 93.65250       32.81897 ?        ?        38.53719 8.882551 ?              ?        
1 1 1 4   46 1  o 27.85646 7.349998 46.26236       20.32813 0.000000       0.000000 46.26236       20.32813 ?        ?        27.85646 7.349998 ?              ?        
1 1 1 4   46 2  o 32.18252 7.500596 61.74857       23.18894 0.000000       0.000000 61.74857       23.18894 ?        ?        32.18252 7.500596 ?              ?        
1 1 1 4   46 3  o 31.95425 6.751733 58.89305       20.45544 0.000000       0.000000 58.89305       20.45544 ?        ?        31.95425 6.751733 ?              ?        
1 1 1 4   46 4  o 34.37387 6.219330 66.44176       20.15549 0.000000       0.000000 66.44176       20.15549 ?        ?        34.37387 6.219330 ?              ?        
1 1 1 4   46 5  o 16.40176 6.926637 6.898633       19.08382 0.000000       0.000000 6.898633       19.08382 ?        ?        16.40176 6.926637 ?              ?        
1 1 1 4   46 6  o 22.31135 7.469757 28.98592       19.19466 0.000000       0.000000 28.98592       19.19466 ?        ?        22.31135 7.469757 ?              ?        
1 1 1 4   46 7  o 24.82605 7.388050 36.72964       19.28058 0.000000       0.000000 36.72964       19.28058 ?        ?        24.82605 7.388050 ?              ?        
1 1 1 4   46 8  o 17.03607 6.972629 10.40992       18.48999 0.000000       0.000000 10.40992       18.48999 ?        ?        17.03607 6.972629 ?              ?        
1 1 1 4   46 9  o 38.13302 6.260236 81.64726       22.55660 0.000000       0.000000 81.64726       22.55660 ?        ?        38.13302 6.260236 ?              ?        
1 1 1 4   46 10 o 25.18637 7.216809 37.77991       18.70530 0.000000       0.000000 37.77991       18.70530 ?        ?        25.18637 7.216809 ?              ?        
1 1 1 4   46 11 o 17.31483 7.581756 4.405259       24.49847 0.000000       0.000000 4.405259       24.49847 ?        ?        17.31483 7.581756 ?              ?        
1 1 1 4   46 12 o 19.95919 7.211001 21.85015       18.06749 0.000000       0.000000 21.85015       18.06749 ?        ?        19.95919 7.211001 ?              ?        
1 1 1 4   46 13 o 35.82034 5.620098 70.81609       19.05729 0.000000       0.000000 70.81609       19.05729 ?        ?        35.82034 5.620098 ?              ?        
1 1 1 4   46 14 o 22.82213 7.928313 31.27794       21.65866 0.000000       0.000000 31.27794       21.65866 ?        ?        22.82213 7.928313 ?              ?        
1 1 1 4   46 15 o 15.22457 6.534013 4.243031       17.46656 0.000000       0.000000 4.243031       17.46656 ?        ?        15.22457 6.534013 ?              ?        
1 1 1 4   46 16 o 38.10643 8.683047 92.90832       31.66301 0.000000       0.000000 92.90832       31.66301 ?        ?        38.10643 8.683047 ?              ?        
1 1 1 4   46 17 o 20.94776 8.584437 22.15248       28.07077 0.000000       0.000000 22.15248       28.07077 ?        ?        20.94776 8.584437 ?              ?        
1 1 1 4   46 18 o 15.55916 7.228443 -10.22150      26.49429 0.000000       0.000000 -10.22150      26.49429 ?        ?        15.55916 7.228443 ?              ?        
1 1 1 4   46 19 f 22.63718 9.514349 28.04000       35.73250 0.000000       0.000000 28.04000       35.73250 ?        ?        22.63718 9.514349 ?              ?        
1 1 1 4   47 0  o 38.35407 5.696981 81.37491       20.73887 0.000000       0.000000 81.37491       20.73887 ?        ?        38.35407 5.696981 ?              ?        
1 1 1 4   47 1  o 15.57776 6.953997 -0.8665229     21.59234 0.000000       0.000000 -0.8665229     21.59234 ?        ?        15.57776 6.953997 ?              ?        
1 1 1 4   47 2  o 18.15399 7.221965 14.82423       19.22277 0.000000       0.000000 14.82423       19.22277 ?        ?        18.15399 7.221965 ?              ?        
1 1 1 4   47 3  o 15.17418 6.812714 -2.269456      21.04611 0.000000       0.000000 -2.269456      21.04611 ?        ?        15.17418 6.812714 ?              ?        
1 1 1 4   47 4  o 26.52515 7.283311 42.44572       19.48427 0.000000       0.000000 42.44572       19.48427 ?        ?        26.52515 7.283311 ?              ?        
1 1 1 4   47 5  o 19.22459 7.231710 19.39923       18.48578 0.000000       0.000000 19.39923       18.48578 ?        ?        19.22459 7.231710 ?              ?        
1 1 1 4   47 6  o 23.84055 7.392818 34.35768       19.03741 0.000000       0.000000 34.35768       19.03741 ?        ?        23.84055 7.392818 ?              ?        
1 1 1 4   47 7  o 41.72142 5.744726 96.55373       22.83825 0.000000       0.000000 96.55373       22.83825 ?        ?        41.72142 5.744726 ?              ?        
1 1 1 4   47 8  f 22.27056 7.738688 29.66563       20.63565 0.000000       0.000000 29.66563       20.63565 ?        ?        22.27056 7.738688 ?              ?        
1 1 1 4   47 9  o 17.03792 6.928819 11.57261       18.11675 0.000000       0.000000 11.57261       18.11675 ?        ?        17.03792 6.928819 ?              ?        
1 1 1 4   47 10 o 17.95180 8.145140 -0.2375371     31.01881 0.000000       0.000000 -0.2375371     31.01881 ?        ?        17.95180 8.145140 ?              ?        
1 1 1 4   47 11 o 26.05889 7.499032 41.92493       20.15543 0.000000       0.000000 41.92493       20.15543 ?        ?        26.05889 7.499032 ?              ?        
1 1 1 4   47 12 o 20.92184 7.209053 25.73575       17.89199 0.000000       0.000000 25.73575       17.89199 ?        ?        20.92184 7.209053 ?              ?        
1 1 1 4   47 13 o 24.41146 7.029014 36.10738       17.70320 0.000000       0.000000 36.10738       17.70320 ?        ?        24.41146 7.029014 ?              ?        
1 1 1 4   47 14 o 26.99969 9.026939 49.22436       28.03292 0.000000       0.000000 49.22436       28.03292 ?        ?        26.99969 9.026939 ?              ?        
1 1 1 4   47 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 4   48 0  o 17.38693 7.042383 13.06087       18.62837 0.000000       0.000000 13.06087       18.62837 ?        ?        17.38693 7.042383 ?              ?        
1 1 1 4   48 1  o 14.14323 6.359807 -2.351236      18.42109 0.000000       0.000000 -2.351236      18.42109 ?        ?        14.14323 6.359807 ?              ?        
1 1 1 4   48 2  f 32.44998 7.459582 64.72720       23.19737 0.000000       0.000000 64.72720       23.19737 ?        ?        32.44998 7.459582 ?              ?        
1 1 1 4   48 3  o 14.67989 6.486664 0.8294849      18.31246 0.000000       0.000000 0.8294849      18.31246 ?        ?        14.67989 6.486664 ?              ?        
1 1 1 4   48 4  o 28.47147 7.598546 50.63549       21.57002 0.000000       0.000000 50.63549       21.57002 ?        ?        28.47147 7.598546 ?              ?        
1 1 1 4   48 5  o 31.92366 6.568547 59.81612       19.84020 0.000000       0.000000 59.81612       19.84020 ?        ?        31.92366 6.568547 ?              ?        
1 1 1 4   48 6  o 21.99127 7.663182 29.40268       20.24228 0.000000       0.000000 29.40268       20.24228 ?        ?        21.99127 7.663182 ?              ?        
1 1 1 4   48 7  o 22.15665 7.390825 29.93073       18.79371 0.000000       0.000000 29.93073       18.79371 ?        ?        22.15665 7.390825 ?              ?        
1 1 1 4   48 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  0  o 484.5400 12.85147 11545.53       608.5520 11545.53       608.5520 11545.53       608.5520 484.5400 12.85147 484.5400 12.85147 0.000000       0.000000 
1 1 1 5   0  1  o 308.7841 8.398360 4682.225       253.4129 4682.225       253.4129 4682.225       253.4129 308.7841 8.398360 308.7841 8.398360 0.000000       0.000000 
1 1 1 5   0  2  o 157.2674 4.796648 1214.319       73.68286 1214.319       73.68286 1214.319       73.68286 157.2674 4.796648 157.2674 4.796648 0.000000       0.000000 
1 1 1 5   0  3  o 717.3447 18.92248 25400.41       1326.566 25400.41       1326.566 25400.41       1326.566 717.3447 18.92248 717.3447 18.92248 0.000000       0.000000 
1 1 1 5   0  4  o 193.3125 5.618908 1834.696       106.1174 1834.696       106.1174 1834.696       106.1174 193.3125 5.618908 193.3125 5.618908 0.000000       0.000000 
1 1 1 5   0  5  o 87.69023 3.529868 378.2679       30.18635 378.2679       30.18635 378.2679       30.18635 87.69023 3.529868 87.69023 3.529868 0.000000       0.000000 
1 1 1 5   0  6  o 103.6895 3.794004 528.4981       38.38977 528.4981       38.38977 528.4981       38.38977 103.6895 3.794004 103.6895 3.794004 0.000000       0.000000 
1 1 1 5   0  7  o 114.7074 4.012734 646.6028       44.92931 646.6028       44.92931 646.6028       44.92931 114.7074 4.012734 114.7074 4.012734 0.000000       0.000000 
1 1 1 5   0  8  o 456.8134 12.17840 10275.96       543.6723 10275.96       543.6723 10275.96       543.6723 456.8134 12.17840 456.8134 12.17840 0.000000       0.000000 
1 1 1 5   0  9  o 383.3243 10.30653 7225.831       386.0777 7225.831       386.0777 7225.831       386.0777 383.3243 10.30653 383.3243 10.30653 0.000000       0.000000 
1 1 1 5   0  10 o 443.3480 11.83346 9668.177       512.6992 9668.177       512.6992 9668.177       512.6992 443.3480 11.83346 443.3480 11.83346 0.000000       0.000000 
1 1 1 5   0  11 o 188.2719 5.594596 1740.274       102.8943 1740.274       102.8943 1740.274       102.8943 188.2719 5.594596 188.2719 5.594596 0.000000       0.000000 
1 1 1 5   0  12 o 645.2662 17.02598 20499.25       1073.676 20499.25       1073.676 20499.25       1073.676 645.2662 17.02598 645.2662 17.02598 0.000000       0.000000 
1 1 1 5   0  13 o 669.5047 17.64979 22063.29       1154.827 22063.29       1154.827 22063.29       1154.827 669.5047 17.64979 669.5047 17.64979 0.000000       0.000000 
1 1 1 5   0  14 o 550.8882 14.58841 14920.00       785.3959 14920.00       785.3959 14920.00       785.3959 550.8882 14.58841 550.8882 14.58841 0.000000       0.000000 
1 1 1 5   0  15 o 1219.406 32.19866 73815.29       3837.137 73815.29       3837.137 73815.29       3837.137 1219.406 32.19866 1219.406 32.19866 0.000000       0.000000 
1 1 1 5   0  16 o 1187.465 45.03244 71030.00       5217.110 71030.00       5217.110 71030.00       5217.110 1187.465 45.03244 1187.465 45.03244 0.000000       0.000000 
1 1 1 5   0  17 o 337.8251 13.07488 5623.000       430.8772 5623.000       430.8772 5623.000       430.8772 337.8251 13.07488 337.8251 13.07488 0.000000       0.000000 
1 1 1 5   0  18 o 277.5312 7.754686 3781.676       210.2882 3781.676       210.2882 3781.676       210.2882 277.5312 7.754686 277.5312 7.754686 0.000000       0.000000 
1 1 1 5   0  19 o 269.4216 10.74603 3576.000       282.3650 3576.000       282.3650 3576.000       282.3650 269.4216 10.74603 269.4216 10.74603 0.000000       0.000000 
1 1 1 5   0  20 o 412.1626 15.75700 8389.000       633.5814 8389.000       633.5814 8389.000       633.5814 412.1626 15.75700 412.1626 15.75700 0.000000       0.000000 
1 1 1 5   0  21 o 316.5961 8.711287 4924.757       269.4946 4924.757       269.4946 4924.757       269.4946 316.5961 8.711287 316.5961 8.711287 0.000000       0.000000 
1 1 1 5   0  22 o 211.6381 6.270328 2200.043       129.6362 2200.043       129.6362 2200.043       129.6362 211.6381 6.270328 211.6381 6.270328 0.000000       0.000000 
1 1 1 5   0  23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  24 o 372.9543 10.12771 6845.505       369.1037 6845.505       369.1037 6845.505       369.1037 372.9543 10.12771 372.9543 10.12771 0.000000       0.000000 
1 1 1 5   0  25 o 203.4323 6.119994 2033.646       121.6147 2033.646       121.6147 2033.646       121.6147 203.4323 6.119994 203.4323 6.119994 0.000000       0.000000 
1 1 1 5   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  27 o 236.2411 6.849771 2743.884       158.0922 2743.884       158.0922 2743.884       158.0922 236.2411 6.849771 236.2411 6.849771 0.000000       0.000000 
1 1 1 5   0  28 o 197.6853 6.033191 1921.225       116.4958 1921.225       116.4958 1921.225       116.4958 197.6853 6.033191 197.6853 6.033191 0.000000       0.000000 
1 1 1 5   0  29 o 140.9501 5.075774 977.3511       69.82204 977.3511       69.82204 977.3511       69.82204 140.9501 5.075774 140.9501 5.075774 0.000000       0.000000 
1 1 1 5   0  30 o 177.8978 5.700807 1556.376       99.03780 1556.376       99.03780 1556.376       99.03780 177.8978 5.700807 177.8978 5.700807 0.000000       0.000000 
1 1 1 5   0  31 o 262.3094 7.474799 3386.936       191.5672 3386.936       191.5672 3386.936       191.5672 262.3094 7.474799 262.3094 7.474799 0.000000       0.000000 
1 1 1 5   0  32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  33 o 106.6157 4.798982 560.6498       49.84972 560.6498       49.84972 560.6498       49.84972 106.6157 4.798982 106.6157 4.798982 0.000000       0.000000 
1 1 1 5   0  34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   0  35 f 73.48438 5.290721 269.1140       37.59300 269.1140       37.59300 269.1140       37.59300 73.48438 5.290721 73.48438 5.290721 0.000000       0.000000 
1 1 1 5   0  36 o 60.18336 6.114610 183.4617       35.09888 183.4617       35.09888 183.4617       35.09888 60.18336 6.114610 60.18336 6.114610 0.000000       0.000000 
1 1 1 5   0  37 o 127.7014 6.923654 810.7000       85.95883 810.7000       85.95883 810.7000       85.95883 127.7014 6.923654 127.7014 6.923654 0.000000       0.000000 
1 1 1 5   0  38 o 85.46805 4.994402 362.6949       41.45297 362.6949       41.45297 362.6949       41.45297 85.46805 4.994402 85.46805 4.994402 0.000000       0.000000 
1 1 1 5   0  39 o 71.89465 8.318160 266.3000       56.50002 266.3000       56.50002 266.3000       56.50002 71.89465 8.318160 71.89465 8.318160 0.000000       0.000000 
1 1 1 5   0  40 o 67.51413 9.189609 239.2000       57.55061 239.2000       57.55061 239.2000       57.55061 67.51413 9.189609 67.51413 9.189609 0.000000       0.000000 
1 1 1 5   0  41 o 15.12884 9.531725 6.064370       29.80711 6.064370       29.80711 6.064370       29.80711 15.12884 9.531725 15.12884 9.531725 0.000000       0.000000 
1 1 1 5   0  42 o 17.23182 10.08839 18.17612       28.48979 18.17612       28.48979 18.17612       28.48979 17.23182 10.08839 17.23182 10.08839 0.000000       0.000000 
1 1 1 5   0  43 o 23.30603 11.03954 40.36120       28.56495 40.36120       28.56495 40.36120       28.56495 23.30603 11.03954 23.30603 11.03954 0.000000       0.000000 
1 1 1 5   0  44 o 59.03741 6.114290 178.1621       34.38813 178.1621       34.38813 178.1621       34.38813 59.03741 6.114290 59.03741 6.114290 0.000000       0.000000 
1 1 1 5   0  45 o 102.5748 5.019609 523.7100       50.12197 523.7100       50.12197 523.7100       50.12197 102.5748 5.019609 102.5748 5.019609 0.000000       0.000000 
1 1 1 5   0  46 o 62.78001 6.017845 201.1494       36.15004 201.1494       36.15004 201.1494       36.15004 62.78001 6.017845 62.78001 6.017845 0.000000       0.000000 
1 1 1 5   0  47 o 14.39243 9.138167 5.024493       28.00375 5.024493       28.00375 5.024493       28.00375 14.39243 9.138167 14.39243 9.138167 0.000000       0.000000 
1 1 1 5   0  48 f 108.5669 5.060706 589.2673       53.51213 589.2673       53.51213 589.2673       53.51213 108.5669 5.060706 108.5669 5.060706 0.000000       0.000000 
1 1 1 5   0  49 o 11.13926 7.611253 -14.32245      26.00922 -14.32245      26.00922 -14.32245      26.00922 11.13926 7.611253 11.13926 7.611253 0.000000       0.000000 
1 1 1 5   0  50 o 14.11585 8.952234 5.544817       26.78604 5.544817       26.78604 5.544817       26.78604 14.11585 8.952234 14.11585 8.952234 0.000000       0.000000 
1 1 1 5   0  51 o 35.14761 9.686088 75.68626       28.81413 75.68626       28.81413 75.68626       28.81413 35.14761 9.686088 35.14761 9.686088 0.000000       0.000000 
1 1 1 5   0  52 o 24.71586 11.90079 48.28000       33.34190 48.28000       33.34190 48.28000       33.34190 24.71586 11.90079 24.71586 11.90079 0.000000       0.000000 
1 1 1 5   0  53 o 13.02934 8.447209 1.119383       25.55760 1.119383       25.55760 1.119383       25.55760 13.02934 8.447209 13.02934 8.447209 0.000000       0.000000 
1 1 1 5   0  54 o 73.90546 8.752688 294.9000       60.98375 294.9000       60.98375 294.9000       60.98375 73.90546 8.752688 73.90546 8.752688 0.000000       0.000000 
1 1 1 5   0  55 o 48.66981 6.801107 126.9415       30.58916 126.9415       30.58916 126.9415       30.58916 48.66981 6.801107 48.66981 6.801107 0.000000       0.000000 
1 1 1 5   0  56 o 89.44868 5.056104 404.4774       43.94262 404.4774       43.94262 404.4774       43.94262 89.44868 5.056104 89.44868 5.056104 0.000000       0.000000 
1 1 1 5   0  57 f 13.82992 9.577251 -27.73000      44.54876 -27.73000      44.54876 -27.73000      44.54876 13.82992 9.577251 13.82992 9.577251 0.000000       0.000000 
1 1 1 5   0  58 o 32.11366 10.18304 67.56967       28.15421 67.56967       28.15421 67.56967       28.15421 32.11366 10.18304 32.11366 10.18304 0.000000       0.000000 
1 1 1 5   0  59 o 16.53353 9.726397 18.90180       26.69996 18.90180       26.69996 18.90180       26.69996 16.53353 9.726397 16.53353 9.726397 0.000000       0.000000 
1 1 1 5   0  60 o 38.76451 9.009709 89.05143       29.73128 89.05143       29.73128 89.05143       29.73128 38.76451 9.009709 38.76451 9.009709 0.000000       0.000000 
1 1 1 5   0  61 o 39.99216 8.660593 93.41112       29.72715 93.41112       29.72715 93.41112       29.72715 39.99216 8.660593 39.99216 8.660593 0.000000       0.000000 
1 1 1 5   0  62 o 52.47868 6.540892 147.3053       32.19148 147.3053       32.19148 147.3053       32.19148 52.47868 6.540892 52.47868 6.540892 0.000000       0.000000 
1 1 1 5   1  0  o 435.7151 8.177248 9312.034       348.7514 9376.439       495.9074 9249.013       490.5541 436.5752 11.61506 433.6054 11.56842 2.969788       16.39323 
1 1 1 5   1  1  o 301.4479 5.787447 4452.365       170.7676 4444.891       241.2253 4459.873       241.7794 300.9133 8.197472 301.4199 8.202480 -0.5065613     11.59652 
1 1 1 5   1  2  o 401.3938 7.572386 7901.081       297.5155 8372.296       438.6710 7499.704       404.8607 412.6113 10.87101 390.5490 10.60048 22.06232       15.18385 
1 1 1 5   1  3  o 384.7686 7.266443 7259.796       273.6703 7271.679       387.5054 7247.972       386.5529 384.5678 10.30363 383.9414 10.29508 0.6263733      14.56549 
1 1 1 5   1  4  o 529.4563 9.882958 13773.59       512.1808 13736.37       722.9916 13811.08       725.6819 527.5122 14.01456 528.9410 14.02867 -1.428833      19.82956 
1 1 1 5   1  5  o 213.5044 4.295453 2232.811       89.76810 2338.349       130.6741 2138.498       123.5295 218.3130 6.121145 208.7738 6.051276 9.539230       8.607344 
1 1 1 5   1  6  o 45.77062 2.442628 102.8532       10.90372 121.8182       15.83756 85.76361       15.03416 49.76964 3.269104 41.68069 3.724200 8.088951       4.955472 
1 1 1 5   1  7  o 209.0991 4.234389 2141.947       86.66606 2220.793       125.2978 2069.624       120.0023 212.7208 6.023720 205.3518 5.976501 7.368958       8.485502 
1 1 1 5   1  8  o 157.9348 3.436815 1221.547       53.13004 1254.741       76.27897 1190.268       74.04527 159.9403 4.878078 155.7741 4.862144 4.166138       6.887387 
1 1 1 5   1  9  o 281.5640 5.471462 3885.681       150.7950 3890.952       213.4522 3880.430       213.0609 281.4411 7.755702 281.0605 7.751977 0.3805847      10.96559 
1 1 1 5   1  10 o 235.2381 4.688912 2710.690       107.9658 2725.197       153.2513 2696.395       152.1282 235.6670 6.650184 234.4185 6.636647 1.248428       9.395213 
1 1 1 5   1  11 o 92.55473 2.740952 419.7199       24.80433 431.6924       35.38432 408.1525       34.78072 93.81606 3.861506 91.21557 3.904535 2.600494       5.491504 
1 1 1 5   1  12 o 787.2208 14.60382 30501.39       1125.303 30260.00       1582.026 30748.59       1600.979 781.6216 20.69632 787.8737 20.77793 -6.252136      29.32678 
1 1 1 5   1  13 o 145.7883 3.373362 1040.488       48.13841 1067.976       69.11174 1014.585       67.08929 147.6039 4.789865 143.8640 4.770851 3.739868       6.760460 
1 1 1 5   1  14 o 636.5952 13.67835 19918.94       852.3212 20060.00       1483.218 19849.39       1041.443 635.6345 23.88166 634.5800 16.78125 1.054565       29.18807 
1 1 1 5   1  15 o 141.1464 3.895163 976.1178       53.76333 1154.000       99.43117 902.6239       63.91192 153.3318 6.640717 135.6820 4.819964 17.64980       8.205557 
1 1 1 5   1  16 o 156.6457 5.026328 1202.905       76.96848 1197.000       107.9988 1209.000       109.7213 156.1326 7.085205 156.9093 7.162808 -0.7766266     10.07502 
1 1 1 5   1  17 o 163.2610 4.242009 1305.990       67.73174 1263.000       114.0608 1329.407       84.18098 160.3667 7.285370 164.6706 5.229289 -4.303879      8.967836 
1 1 1 5   1  18 o 490.4549 13.05415 11838.22       626.1345 11720.00       878.9936 11960.00       892.1283 486.6458 18.48660 491.5844 18.57397 -4.938690      26.20585 
1 1 1 5   1  19 o 291.5994 6.576989 4167.295       187.7241 4187.742       230.4810 4127.000       323.5619 292.1006 8.068869 289.5558 11.43864 2.544861       13.99818 
1 1 1 5   1  20 o 139.4687 3.463033 952.4164       47.27588 955.4971       66.27208 949.2243       67.46014 139.5792 4.858100 139.1133 4.962133 0.4658203      6.944343 
1 1 1 5   1  21 o 119.5634 4.783297 701.4551       55.86687 633.9000       75.41801 783.6000       83.16412 113.4888 6.820633 126.2289 6.755474 -12.74010      9.599868 
1 1 1 5   1  22 o 206.9380 5.021715 2098.506       101.7182 2194.000       180.9130 2054.364       123.0014 211.1385 8.772903 204.5931 6.149018 6.545349       10.71327 
1 1 1 5   1  23 o 274.8372 7.706122 3712.523       207.1041 3626.000       288.1360 3805.000       297.8862 271.0421 10.88275 277.6404 10.98296 -6.598328      15.46155 
1 1 1 5   1  24 o 220.6981 4.564446 2387.110       98.60361 2405.357       139.8124 2369.052       139.0835 221.2935 6.461544 219.6138 6.477163 1.679703       9.149054 
1 1 1 5   1  25 o 340.4604 9.330818 5712.933       310.6582 0.000000       0.000000 5712.933       310.6582 ?        ?        340.4604 9.330818 ?              ?        
1 1 1 5   1  26 o 126.6278 3.921990 786.4788       48.55322 719.0000       79.96793 825.8788       61.10546 120.7939 6.790738 129.6927 4.821863 -8.898880      8.328534 
1 1 1 5   1  27 o 167.2557 4.428600 1372.424       72.43880 1382.056       88.59786 1353.000       125.8126 167.7433 5.403046 165.6490 7.781161 2.094315       9.473086 
1 1 1 5   1  28 o 84.10985 3.423161 347.1909       28.12367 354.9894       39.44875 339.1308       40.10513 84.94267 4.763703 82.99883 4.959142 1.943840       6.876479 
1 1 1 5   1  29 o 318.3887 6.204846 4980.615       193.3726 5034.230       275.3028 4928.405       271.6736 319.3477 8.815689 315.9780 8.792388 3.369751       12.45080 
1 1 1 5   1  30 o 224.1955 4.667524 2465.832       102.4283 2425.905       143.2632 2507.584       146.5020 222.0130 6.599825 225.7155 6.638164 -3.702484      9.360711 
1 1 1 5   1  31 o 270.7157 6.247353 3603.669       165.5449 3423.000       275.9661 3705.228       206.9066 262.4218 10.76646 274.0591 7.720706 -11.63730      13.24862 
1 1 1 5   1  32 o 214.2227 4.510440 2252.028       94.57812 2242.875       133.1754 2261.343       134.3395 213.4065 6.382612 214.2779 6.412230 -0.8713989     9.047344 
1 1 1 5   1  33 f 146.0432 3.612821 1045.926       51.64570 1068.303       73.58071 1024.198       72.50722 147.3638 5.108862 144.2812 5.142333 3.082611       7.248728 
1 1 1 5   1  34 f 201.4996 4.330736 1993.634       85.41656 2036.175       122.1963 1952.986       119.4452 203.2098 6.150457 199.0144 6.139002 4.195419       8.689963 
1 1 1 5   1  35 o 48.67441 5.246411 117.9405       24.60158 138.4032       31.52131 86.05000       39.35073 52.60664 6.243083 40.72106 9.956940 11.88558       11.75231 
1 1 1 5   1  36 o 220.4341 5.346067 2394.791       115.3505 2402.322       141.7075 2380.000       198.5859 220.2915 6.579242 218.0208 9.327150 2.270752       11.41412 
1 1 1 5   1  37 o 81.61920 3.531181 327.8403       28.14425 349.5255       39.85449 306.2690       39.74969 84.07734 4.863508 78.62625 5.193972 5.451088       7.115550 
1 1 1 5   1  38 o 44.44918 7.063169 100.6777       29.70359 79.71000       36.41028 142.4000       51.36089 38.97889 9.605930 52.10942 10.43376 -13.13053      14.18229 
1 1 1 5   1  39 o 118.0251 4.025529 687.0609       46.43736 691.0161       56.25379 678.6000       82.27655 118.1526 4.874568 116.2884 7.264540 1.864143       8.748425 
1 1 1 5   1  40 o 59.07045 5.074293 174.0968       29.05544 255.8000       56.48603 144.7012       33.88150 70.69652 8.321989 53.43680 6.619022 17.25972       10.63330 
1 1 1 5   1  41 o 30.19948 8.352197 47.77747       25.51915 75.42000       50.14537 38.11652       29.64504 37.80744 12.03709 27.83813 9.282370 9.969307       15.20046 
1 1 1 5   1  42 o 73.45898 3.801020 267.0986       27.23778 289.7547       38.57526 244.5719       38.46504 76.15354 5.206342 69.79647 5.679274 6.357071       7.704554 
1 1 1 5   1  43 o 103.5519 3.489186 529.6460       35.31568 544.9103       49.66530 514.0343       50.22728 104.5870 4.864750 101.4968 5.071767 3.090225       7.027703 
1 1 1 5   1  44 o 67.62709 3.986028 227.1338       26.26860 255.5344       37.05835 198.4522       37.24116 71.34367 5.345566 62.55533 6.162004 8.788338       8.157535 
1 1 1 5   1  45 o 61.35896 4.183789 187.6445       24.97745 220.5194       35.19022 154.2669       35.45820 66.13010 5.485785 54.79446 6.753865 11.33564       8.701066 
1 1 1 5   1  46 o 20.84943 7.634523 18.82431       20.34686 -1.319163      28.13998 40.89388       29.45463 18.88418 8.199409 28.12424 9.247922 -9.240057      12.35938 
1 1 1 5   1  47 o 51.73806 4.676613 134.9738       23.42814 122.0227       32.70564 148.6236       33.57631 48.24322 7.141382 53.59629 6.535143 -5.353073      9.680260 
1 1 1 5   1  48 o 49.89984 4.839326 126.3123       23.34047 113.9910       33.10655 138.4886       32.91114 46.23152 7.578266 51.48667 6.688354 -5.255150      10.10763 
1 1 1 5   1  49 o 44.18431 5.092673 99.84456       21.62275 110.8785       30.76909 89.07887       30.39274 45.72152 7.105905 40.50343 7.950026 5.218094       10.66287 
1 1 1 5   1  50 o 31.18917 6.766871 52.25366       20.06341 55.29324       27.93853 49.01694       28.83037 31.47511 8.752157 29.71790 9.076690 1.757204       12.60899 
1 1 1 5   1  51 o 62.29188 4.331603 195.8355       26.24656 193.3412       33.18848 200.0000       42.88433 61.28176 5.594496 61.31968 7.287193 -0.3791809E-01 9.187033 
1 1 1 5   1  52 o 57.86683 4.125726 168.9364       23.21550 175.1136       32.74250 162.6914       32.92157 58.07259 5.839339 55.79667 6.128669 2.275917       8.465132 
1 1 1 5   1  53 o 30.65916 8.830055 53.40252       27.93454 27.92000       33.79202 108.4000       49.64373 24.89101 9.673302 41.84566 11.67808 -16.95465      15.16411 
1 1 1 5   1  54 o 53.27767 4.737375 145.3399       24.44790 129.3000       38.08809 156.5790       31.88273 48.06658 8.401094 54.56697 6.071967 -6.500389      10.36567 
1 1 1 5   1  55 o 51.36110 5.271140 136.9016       26.12431 121.6000       48.01513 143.3361       31.13632 44.30691 11.09661 51.99004 6.243192 -7.683132      12.73233 
1 1 1 5   1  56 o 36.05966 8.245385 73.88291       28.46812 0.000000       0.000000 73.88291       28.46812 ?        ?        36.05966 8.245385 ?              ?        
1 1 1 5   1  57 o 50.24044 4.537219 129.3237       22.07234 135.0156       30.67937 123.2161       31.77970 50.29236 6.375191 47.60285 7.031800 2.689514       9.491536 
1 1 1 5   1  58 o 31.90601 6.712418 55.83414       20.29799 73.28456       28.51631 37.91231       28.89891 35.76870 8.304744 26.17176 9.153861 9.596939       12.35969 
1 1 1 5   1  59 o 28.37378 7.137307 45.00090       19.80156 57.34095       27.99653 32.64832       28.01075 31.29569 8.782911 24.75772 8.973919 6.537968       12.55670 
1 1 1 5   1  60 f 51.65215 4.415260 136.6681       22.10905 142.2230       30.94468 130.8755       31.59945 51.58577 6.256147 49.13435 6.748432 2.451424       9.202212 
1 1 1 5   1  61 o 43.58802 5.087761 99.38001       21.29926 106.3084       30.01760 92.35463       30.22691 43.73378 7.267110 40.23537 7.957028 3.498409       10.77614 
1 1 1 5   1  62 o 31.12345 7.251903 55.10608       21.68125 55.11702       28.10749 55.09000       34.06923 30.23335 8.900803 29.80078 9.951247 0.4325638      13.35109 
1 1 1 5   2  0  o 393.3558 7.420535 7587.230       285.7110 7631.964       406.0161 7543.349       402.1248 393.9896 10.53762 391.7008 10.49765 2.288849       14.87420 
1 1 1 5   2  1  o 450.1965 8.461302 9944.533       372.8598 10067.35       533.5306 9827.289       521.2892 452.2173 12.06408 446.8183 11.92972 5.399017       16.96644 
1 1 1 5   2  2  o 178.3784 3.712031 1558.051       64.81271 1555.568       91.62362 1560.538       91.69444 178.1131 5.261161 178.3980 5.256793 -0.2848358     7.437317 
1 1 1 5   2  3  o 497.0692 9.294314 12133.39       452.2104 12341.47       647.4960 11935.26       631.8356 500.2731 13.23443 491.9940 13.13187 8.279083       18.64393 
1 1 1 5   2  4  o 455.9901 8.556213 10208.17       381.8944 10376.16       546.8007 10048.18       533.6016 458.8311 12.18581 451.5427 12.08378 7.288452       17.16134 
1 1 1 5   2  5  o 471.6846 8.843458 10929.92       408.3007 11159.32       586.3491 10713.97       568.8950 475.5229 12.60846 465.9691 12.48419 9.553894       17.74340 
1 1 1 5   2  6  o 67.97734 2.393915 226.5032       15.90379 219.6413       22.52934 233.3190       22.45355 66.88129 3.453112 68.94481 3.337098 -2.063515      4.802104 
1 1 1 5   2  7  o 264.5788 5.170067 3431.142       133.8929 3431.868       189.4455 3430.418       189.2609 264.3059 7.329776 264.2508 7.324153 0.5508423E-01  10.36189 
1 1 1 5   2  8  o 185.7272 3.866638 1689.561       70.29353 1749.330       101.5083 1634.491       97.43682 188.8272 5.497856 182.5218 5.459977 6.305435       7.748404 
1 1 1 5   2  9  o 583.1022 10.88111 16733.11       621.0465 17034.80       889.4029 16446.04       867.5881 586.4664 15.50709 576.2850 15.39427 10.18140       21.85071 
1 1 1 5   2  10 o 366.5272 6.962778 6587.167       249.8015 6741.488       358.9623 6442.257       347.8452 370.3107 9.912131 362.0073 9.825717 8.303436       13.95690 
1 1 1 5   2  11 o 252.9184 4.995367 3133.078       123.6670 3108.971       174.1477 3157.601       175.6451 251.7472 7.074206 253.7095 7.079748 -1.962311      10.00836 
1 1 1 5   2  12 o 264.0432 5.190167 3414.487       134.1413 3412.571       189.7021 3416.404       189.7068 263.7755 7.354542 263.9240 7.350571 -0.1485291     10.39809 
1 1 1 5   2  13 f 278.0680 6.270026 3787.691       170.6580 3673.000       288.6240 3849.343       211.6123 273.3683 10.80773 280.1498 7.724298 -6.781464      13.28427 
1 1 1 5   2  14 o 288.9053 6.493298 4088.929       183.6230 4216.000       323.4622 4028.509       223.0466 292.8549 11.30528 286.5829 7.959025 6.272003       13.82590 
1 1 1 5   2  15 o 453.7837 8.529468 10095.52       378.8585 10150.00       759.5037 10077.48       437.1259 453.4949 17.14090 453.2463 9.852942 0.2485657      19.77097 
1 1 1 5   2  16 o 347.3133 6.644081 5910.153       225.8721 6157.743       328.2400 5687.466       311.2959 354.1856 9.476431 340.3956 9.351794 13.79007       13.31386 
1 1 1 5   2  17 o 139.8399 3.906807 958.1945       53.42364 1008.227       66.17999 864.6000       90.51586 143.4093 4.721016 132.6434 6.996348 10.76593       8.440194 
1 1 1 5   2  18 o 357.8058 9.693432 6287.342       339.1805 6475.000       488.7477 6113.000       471.0870 362.4755 13.80047 352.2018 13.69088 10.27368       19.43947 
1 1 1 5   2  19 o 201.8661 4.908657 1995.937       96.99118 2107.000       171.5788 1943.781       117.5801 207.0713 8.483171 199.0793 6.040934 7.991959       10.41427 
1 1 1 5   2  20 o 339.8665 6.539819 5662.538       217.5606 5666.066       307.0405 5658.979       308.3179 339.5677 9.246287 339.3486 9.290846 0.2191162      13.10777 
1 1 1 5   2  21 o 137.7478 3.949278 930.0434       53.19366 996.3197       67.05136 817.5000       87.37523 142.5248 4.813207 128.9179 6.949884 13.60692       8.453866 
1 1 1 5   2  22 o 419.2419 9.183806 8639.451       376.8718 8771.000       658.4289 8575.354       459.6064 420.2729 16.03499 417.0798 11.26831 3.193085       19.59836 
1 1 1 5   2  23 o 94.15157 3.858760 434.9524       35.48626 408.4000       61.47063 448.2242       43.45927 90.95525 6.957330 95.52461 4.662024 -4.569366      8.374898 
1 1 1 5   2  24 f 134.4106 4.004860 885.9182       52.63109 903.2000       92.19517 877.5636       64.10271 135.4496 6.977349 133.7090 4.906215 1.740555       8.529616 
1 1 1 5   2  25 o 230.5861 4.719050 2606.446       106.5108 2655.410       152.0022 2559.211       149.2925 232.4564 6.687345 228.2029 6.690830 4.253510       9.459799 
1 1 1 5   2  26 o 167.2650 3.804654 1370.877       62.29114 1361.007       87.25403 1381.136       88.95660 166.4793 5.361492 167.7003 5.426379 -1.221024      7.628315 
1 1 1 5   2  27 o 101.5000 3.306100 505.2301       32.80264 516.4553       46.11798 493.7362       46.66675 102.5260 4.607242 100.2266 4.770533 2.299416       6.632093 
1 1 1 5   2  28 o 185.0077 4.683640 1679.733       84.74813 1635.314       102.1217 1778.000       151.8918 182.4199 5.726347 189.8214 8.194206 -7.401489      9.996803 
1 1 1 5   2  29 o 303.5776 6.868093 4532.114       204.0855 4530.681       249.6599 4535.000       354.3189 303.0493 8.424631 301.9613 12.01169 1.087952       14.67158 
1 1 1 5   2  30 o 173.7197 3.945970 1479.512       67.09793 1496.771       94.85297 1462.225       94.92869 174.4953 5.560524 172.4581 5.631063 2.037231       7.913804 
1 1 1 5   2  31 o 203.2693 4.333124 2026.817       86.21424 2028.022       121.2535 2025.584       122.6085 203.0099 6.108930 202.8746 6.181496 0.1352844      8.690795 
1 1 1 5   2  32 o 166.8846 3.840361 1365.722       62.73277 1377.504       88.66985 1353.915       88.76530 167.3533 5.420116 165.9046 5.473607 1.448730       7.703118 
1 1 1 5   2  33 o 152.4811 3.667475 1140.261       54.73806 1124.470       76.35397 1156.958       78.51383 151.1811 5.167337 153.3409 5.238660 -2.159775      7.358324 
1 1 1 5   2  34 o 160.1303 4.340446 1260.039       67.96939 1285.588       84.12396 1212.000       115.3533 161.5823 5.326152 156.4016 7.557361 5.180710       9.245625 
1 1 1 5   2  35 o 210.2890 5.150677 2176.356       106.0198 2180.063       130.0172 2169.000       183.1539 210.0776 6.330098 208.5661 8.992652 1.511459       10.99718 
1 1 1 5   2  36 o 167.6282 3.891042 1380.394       63.84386 1424.188       91.17277 1338.258       89.43018 169.8642 5.490702 164.6376 5.557403 5.226669       7.812332 
1 1 1 5   2  37 o 89.35894 4.073975 393.5415       35.54010 387.7362       42.15881 407.8000       66.07128 88.56126 4.882272 90.21648 7.551262 -1.655220      8.992115 
1 1 1 5   2  38 o 70.53147 4.329856 245.9951       29.74846 251.6831       34.75265 230.4000       57.54421 71.22142 5.017171 67.11280 8.985268 4.108620       10.29111 
1 1 1 5   2  39 o 21.21012 7.763499 18.46824       21.03691 15.68000       31.61812 20.68296       28.17932 23.32877 9.268193 23.51400 8.910102 -0.1852303     12.85649 
1 1 1 5   2  40 o 145.8640 4.232044 1051.177       60.35941 1068.000       102.4176 1042.225       74.71326 145.7400 7.201733 144.8636 5.277871 0.8763733      8.928655 
1 1 1 5   2  41 o 38.70737 5.996194 76.41451       21.98415 89.51544       30.73221 62.68472       31.46117 41.44608 7.862964 34.39522 9.175626 7.050854       12.08380 
1 1 1 5   2  42 o 33.91883 8.220919 60.84880       27.00589 15.58000       50.77311 78.70854       31.89128 27.48774 11.43150 38.52428 8.667576 -11.03654      14.34594 
1 1 1 5   2  43 o 64.95692 3.998323 209.4817       25.29879 174.9016       34.19373 251.3053       37.60483 58.78255 6.028114 70.75121 5.472559 -11.96865      8.141686 
1 1 1 5   2  44 o 61.31936 4.150298 187.1285       24.76377 207.3537       34.78919 166.3545       35.25803 64.14204 5.597099 57.13301 6.415415 7.009026       8.513817 
1 1 1 5   2  45 o 80.18711 3.742506 318.8738       29.29366 294.0641       39.80321 348.1913       43.26836 76.47195 5.351302 83.24716 5.338135 -6.775215      7.558579 
1 1 1 5   2  46 o 87.88469 3.687027 383.3177       31.64681 389.7907       44.27147 376.5537       45.25545 88.04638 5.159573 86.43539 5.375612 1.610985       7.451067 
1 1 1 5   2  47 o 78.28425 3.777431 305.0572       28.85981 316.4399       40.35839 293.1457       41.28527 79.12903 5.240167 75.98312 5.590141 3.145905       7.662182 
1 1 1 5   2  48 o 20.28418 7.651591 17.04940       20.72678 28.23695       28.93719 5.262707       29.70194 24.64542 9.091067 20.23363 8.597285 4.411793       12.51243 
1 1 1 5   2  49 o 52.90078 4.497274 141.4116       23.06668 123.3011       31.82257 161.4614       33.48316 48.34478 6.922092 55.77817 6.239543 -7.433392      9.319187 
1 1 1 5   2  50 o 59.31105 4.566659 178.0023       26.30789 198.3800       34.27918 148.8000       41.03571 62.07911 5.705042 52.28211 8.295360 9.796997       10.06779 
1 1 1 5   2  51 o 30.94194 6.629164 51.42982       19.47333 49.14223       27.10454 53.87036       27.99597 29.68982 8.740497 30.99233 8.812331 -1.302517      12.41183 
1 1 1 5   2  52 f 49.83495 5.375304 128.1812       25.80634 120.1369       29.54077 154.1000       53.02591 47.67449 6.499450 50.96960 10.95475 -3.295116      12.73772 
1 1 1 5   2  53 o 67.96227 3.664990 231.5724       24.29055 249.9949       34.20548 212.8309       34.50047 69.89816 5.033169 64.16808 5.547299 5.730080       7.490348 
1 1 1 5   2  54 o 57.58248 4.474420 168.8576       25.02153 177.5000       39.97357 163.2899       32.08457 57.28513 7.294137 55.79121 5.967812 1.493916       9.424394 
1 1 1 5   2  55 f 16.27395 6.909916 3.495865       19.16378 -2.229000      28.69365 8.105760       25.74830 18.30510 8.102645 19.19679 8.072906 -0.8916950     11.43786 
1 1 1 5   2  56 o 82.81005 4.235970 347.6129       34.22132 336.1000       63.50838 352.3234       40.62343 77.54089 8.506980 82.78507 5.037077 -5.244186      9.886397 
1 1 1 5   2  57 o 16.57859 6.882049 6.258941       18.35418 -5.611693      26.02019 18.01446       25.89372 16.94952 7.595147 21.17988 8.396058 -4.230354      11.32166 
1 1 1 5   2  58 o 32.08176 7.179900 57.22612       21.98294 52.55991       27.86275 64.92000       35.77785 30.03655 8.867000 32.71759 10.13296 -2.681040      13.46479 
1 1 1 5   2  59 o 26.43717 7.422602 39.27777       19.99130 28.56211       27.29955 51.66889       29.35629 23.70397 8.814159 29.63476 9.178754 -5.930788      12.72552 
1 1 1 5   2  60 o 38.14673 5.685717 77.25224       20.58241 75.54680       28.88158 79.01220       29.33966 36.20851 8.323421 37.07065 8.293489 -0.8621407     11.74995 
1 1 1 5   2  61 o 21.38609 7.657299 23.53794       20.32045 27.79685       26.98512 17.96000       30.88250 23.31798 8.744639 21.89451 8.991766 1.423466       12.54275 
1 1 1 5   2  62 o 21.84240 7.399530 25.94953       18.83381 12.72190       26.51532 39.41876       26.75637 19.88274 8.264256 26.01674 8.819545 -6.133993      12.08645 
1 1 1 5   3  0  o 372.5719 7.050456 6806.527       257.1186 6942.741       368.6865 6677.551       358.7580 375.7822 10.03237 368.5434 9.954158 7.238770       14.13272 
1 1 1 5   3  1  o 363.6117 6.893153 6482.737       245.3364 6572.746       350.6414 6396.414       343.3884 365.6504 9.805802 360.7204 9.734324 4.929932       13.81705 
1 1 1 5   3  2  o 196.8622 4.638217 1898.371       89.37571 1871.248       108.6920 1955.000       157.0538 195.3250 5.691108 199.4389 8.061733 -4.113892      9.868143 
1 1 1 5   3  3  o 173.2840 3.639682 1470.425       61.73452 1598.784       91.60251 1363.610       83.56203 180.5613 5.188324 166.7459 5.125823 13.81535       7.293337 
1 1 1 5   3  4  o 110.4937 2.748708 597.7343       29.72847 629.5298       43.19667 569.1238       40.97598 113.3068 3.900643 107.7273 3.892349 5.579498       5.510480 
1 1 1 5   3  5  o 394.4098 7.450683 7635.451       287.6404 7838.427       414.3346 7446.623       399.6337 398.8816 10.62154 388.8044 10.51050 10.07727       14.94282 
1 1 1 5   3  6  o 148.7207 3.284520 1083.123       47.81340 1067.341       67.30861 1099.198       67.93242 147.5151 4.667398 149.7043 4.641536 -2.189194      6.582436 
1 1 1 5   3  7  o 138.0889 3.143867 933.7458       42.49416 969.8949       61.42525 900.5653       58.84912 140.6271 4.468105 135.5042 4.442922 5.122894       6.301073 
1 1 1 5   3  8  o 239.0322 4.747529 2799.533       111.0785 2876.238       160.1487 2728.424       154.1978 242.0482 6.766152 235.7500 6.688973 6.298203       9.514367 
1 1 1 5   3  9  o 175.8283 3.723051 1513.968       64.07581 1530.688       91.31868 1497.753       89.93102 176.6634 5.286833 174.7525 5.263507 1.910934       7.460235 
1 1 1 5   3  10 o 203.8004 4.177480 2034.013       83.33466 2109.144       120.6666 1965.503       115.2275 207.3795 5.950648 200.1919 5.886749 7.187622       8.370425 
1 1 1 5   3  11 o 283.7203 5.527338 3943.095       153.5015 4024.494       220.6405 3866.740       213.6939 286.3970 7.878134 280.7319 7.784193 5.665070       11.07514 
1 1 1 5   3  12 o 219.7533 5.127963 2364.983       110.3028 2413.000       192.0622 2341.352       134.7392 221.6540 8.870296 218.5258 6.305789 3.128128       10.88325 
1 1 1 5   3  13 o 483.3596 10.45885 11463.36       494.8352 11830.00       875.3734 11291.18       599.8760 489.4253 18.30487 479.2470 12.79926 10.17828       22.33583 
1 1 1 5   3  14 o 542.6708 10.12772 14447.21       537.9653 14580.00       1081.043 14403.50       620.2141 542.8215 20.38224 541.6339 11.69848 1.187561       23.50086 
1 1 1 5   3  15 o 423.2529 7.988146 8781.065       330.9422 9044.000       673.5991 8697.404       379.9619 428.2355 16.09854 421.1241 9.217724 7.111450       18.55073 
1 1 1 5   3  16 f 333.1727 7.396652 5440.236       241.2186 5490.000       418.0294 5415.395       295.3512 333.9878 12.81079 332.1699 9.092452 1.817963       15.70952 
1 1 1 5   3  17 o 506.4467 10.94945 12593.84       542.7903 12457.75       659.3518 12880.00       956.0795 503.1201 13.40066 510.1054 19.18237 -6.985352      23.39959 
1 1 1 5   3  18 o 608.4055 11.33656 18185.22       675.1195 18560.54       967.8370 17829.51       942.2051 613.2484 16.13754 601.0757 16.02868 12.17267       22.74508 
1 1 1 5   3  19 o 306.4500 6.883858 4603.583       206.4893 4873.000       370.2871 4481.991       248.7588 314.5398 12.04927 302.1387 8.419561 12.40106       14.69945 
1 1 1 5   3  20 o 306.4518 6.903244 4604.955       207.0721 5409.000       398.3495 4307.239       242.3958 331.2216 12.30822 296.1307 8.370885 35.09094       14.88503 
1 1 1 5   3  21 o 167.8349 3.775323 1379.508       62.02154 1368.560       86.21486 1391.251       89.28932 167.0323 5.279844 168.4022 5.423907 -1.369888      7.569381 
1 1 1 5   3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   3  23 o 292.3495 8.138665 4203.042       232.6692 3805.000       307.0257 4740.000       356.5990 277.5205 11.32627 309.6806 11.78564 -32.16010      16.34582 
1 1 1 5   3  24 o 148.2113 5.096113 1078.242       73.82101 1027.000       101.0049 1137.000       108.1593 144.4313 7.166934 151.9722 7.292271 -7.540848      10.22459 
1 1 1 5   3  25 o 267.8448 5.325901 3518.486       139.6312 3516.789       197.0747 3520.197       197.8643 267.3940 7.537139 267.5189 7.563852 -0.1249390     10.67803 
1 1 1 5   3  26 o 314.0104 6.115565 4840.703       187.9693 4866.814       266.6948 4814.928       264.9710 314.2469 8.678674 312.5684 8.668954 1.678497       12.26663 
1 1 1 5   3  27 o 134.4139 3.467796 885.7755       45.58699 875.0875       63.06610 897.4711       65.97147 133.4895 4.834599 135.1729 4.994683 -1.683350      6.951274 
1 1 1 5   3  28 o 219.9593 5.294931 2374.288       114.0011 2475.000       200.8505 2326.422       138.4667 223.7862 9.188787 217.4845 6.511788 6.301727       11.26220 
1 1 1 5   3  29 o 167.8502 3.856810 1380.973       63.36601 1434.487       90.50730 1329.523       88.74483 170.8591 5.418620 164.4702 5.520337 6.388962       7.735345 
1 1 1 5   3  30 o 278.2014 6.396271 3805.155       174.1776 3814.130       212.9258 3787.000       302.8178 278.1069 7.829658 276.0154 11.23182 2.091553       13.69150 
1 1 1 5   3  31 o 124.6353 3.471289 761.9816       42.30725 782.7873       58.74028 739.5548       60.98585 126.2016 4.763709 122.6245 5.092040 3.577126       6.972933 
1 1 1 5   3  32 o 252.3692 5.110179 3128.131       126.2347 3113.594       177.3201 3143.069       179.7503 251.2399 7.217945 252.4094 7.283032 -1.169510      10.25384 
1 1 1 5   3  33 o 107.0036 3.861492 562.3981       40.37821 536.5482       48.19155 623.3000       73.97020 104.4168 4.727397 112.2529 6.763514 -7.836044      8.251873 
1 1 1 5   3  34 o 93.62540 3.824747 430.8515       34.97739 469.8353       43.62660 360.7000       58.52321 97.68894 4.575177 85.17789 7.083364 12.51105       8.432455 
1 1 1 5   3  35 o 53.65498 4.350005 142.3867       22.65001 153.8373       30.71805 128.7435       33.53030 55.58092 5.728213 50.56705 6.958602 5.013870       9.013022 
1 1 1 5   3  36 o 121.9204 4.029238 731.2896       48.01849 756.2315       58.46695 679.6000       84.16817 123.8446 4.832383 116.8023 7.399947 7.042305       8.838051 
1 1 1 5   3  37 o 118.3424 3.440558 688.4819       39.81201 707.7587       55.68731 668.3289       56.93892 119.7475 4.760472 116.3049 5.013330 3.442612       6.913435 
1 1 1 5   3  38 o 28.89443 7.052890 43.22462       19.76998 57.75887       26.53843 25.10054       29.63514 33.30463 8.197035 24.89301 9.196917 8.411619       12.31969 
1 1 1 5   3  39 o 141.1484 3.628090 981.0746       50.08413 1021.015       71.42279 942.4341       70.25108 143.5710 5.090395 137.8878 5.214399 5.683289       7.287118 
1 1 1 5   3  40 o 111.8177 3.951808 617.3871       43.18463 677.2000       73.75134 586.1799       53.27221 116.2522 6.507280 108.6547 5.022529 7.597488       8.220127 
1 1 1 5   3  41 o 135.6710 4.142547 910.2350       54.94795 968.8000       94.35580 880.1821       67.59170 138.6771 6.973547 133.0151 5.201448 5.662003       8.699737 
1 1 1 5   3  42 o 104.1598 3.518755 535.6389       35.82377 577.5493       50.92215 494.5728       50.40670 107.7496 4.840554 99.57121 5.189792 8.178413       7.096824 
1 1 1 5   3  43 o 27.95551 8.592858 40.46780       25.78666 34.60000       51.93845 42.38736       29.70658 30.35530 11.93521 28.78718 9.274940 1.568123       15.11535 
1 1 1 5   3  44 f 22.06368 7.650214 22.82402       20.16136 25.93550       27.43708 19.17195       29.72511 24.28367 8.869690 23.25694 9.062855 1.026724       12.68096 
1 1 1 5   3  45 o 64.50075 4.139133 207.2234       25.99454 203.5739       35.82104 211.2832       37.78086 63.38693 5.838981 64.50403 6.054606 -1.117100      8.411419 
1 1 1 5   3  46 o 82.74205 3.764734 340.1117       30.41078 323.9878       42.11124 357.6850       43.96318 80.12606 5.400856 84.22477 5.360467 -4.098709      7.609458 
1 1 1 5   3  47 f 70.38336 3.988159 247.2535       27.36326 232.5689       38.14989 262.8127       39.26938 67.51297 5.830043 71.89424 5.625002 -4.381271      8.101237 
1 1 1 5   3  48 o 73.10429 3.868311 266.9620       27.58176 268.6972       37.51499 264.9206       40.69132 72.69992 5.308456 71.91035 5.831000 0.7895660      7.885447 
1 1 1 5   3  49 f 47.01034 5.292998 113.2899       23.93294 112.3153       29.68423 115.1000       40.45643 46.16561 6.770111 45.33593 9.424547 0.8296738      11.60416 
1 1 1 5   3  50 o 24.68528 7.428941 32.66887       19.41190 7.062077       26.05298 64.62666       29.10504 19.39528 8.136198 33.98915 8.709497 -14.59388      11.91860 
1 1 1 5   3  51 o 24.47888 8.142193 31.47588       22.81238 38.10609       25.68632 6.721000       49.63279 26.55937 8.630098 24.76208 10.81831 1.797293       13.83887 
1 1 1 5   3  52 o 74.06882 3.640961 274.5898       26.31629 290.8926       36.55404 257.0486       37.91710 75.52840 4.972114 70.64629 5.527240 4.882103       7.434535 
1 1 1 5   3  53 o 38.71187 5.316447 77.89701       19.61368 75.79599       27.29806 80.13913       28.19979 37.02909 7.779268 38.07539 7.828173 -1.046299      11.03618 
1 1 1 5   3  54 o 56.57585 4.062138 161.9704       22.34558 135.8743       30.97333 190.2961       32.26935 50.57990 6.399082 60.54556 5.505182 -9.965660      8.441284 
1 1 1 5   3  55 o 24.84257 7.618538 34.08127       20.28490 34.40000       30.80342 33.83722       26.95466 25.60002 9.390426 25.11547 8.836267 0.4845524      12.89417 
1 1 1 5   3  56 o 45.72055 5.140764 108.4648       22.60805 71.10000       34.43220 136.7811       29.97451 34.52023 9.758626 50.81541 6.151367 -16.29517      11.53560 
1 1 1 5   3  57 o 31.23329 7.836759 55.25212       23.91624 90.00000       47.14151 43.20892       27.75302 37.44924 11.63680 27.52468 8.972468 9.924564       14.69423 
1 1 1 5   3  58 o 36.73660 7.181350 74.58390       24.89734 71.95000       48.09525 75.54813       29.09989 33.66445 11.80651 36.28217 8.365087 -2.617714      14.46956 
1 1 1 5   3  59 o 19.12759 7.829560 11.54427       23.31745 12.46282       26.73868 8.628000       47.64321 20.14523 8.329450 23.76973 10.48476 -3.624504      13.39067 
1 1 1 5   3  60 o 44.94866 5.584579 106.5258       24.04217 92.42914       30.02835 131.7000       40.12823 40.46046 7.865558 47.62618 8.936063 -7.165714      11.90463 
1 1 1 5   3  61 o 21.60657 7.458004 24.76845       19.15207 26.25346       25.86868 22.96709       28.49105 22.80165 8.559565 22.44640 8.835431 0.3552456      12.30167 
1 1 1 5   3  62 o 22.79229 8.122991 28.11158       22.84043 31.14169       26.11475 18.25000       47.11183 23.85330 8.662194 24.30445 10.58045 -0.4511566     13.67404 
1 1 1 5   4  0  f 148.3658 3.262472 1077.825       47.37910 1120.946       68.48187 1038.236       65.61817 151.1976 4.632730 145.5084 4.612950 5.689209       6.537698 
1 1 1 5   4  1  f 205.1390 4.159442 2061.156       83.51981 2047.652       117.6430 2074.879       118.5925 204.3016 5.888999 205.6557 5.897375 -1.354172      8.334228 
1 1 1 5   4  2  o 175.5057 4.254082 1508.790       73.08082 1554.854       91.37174 1427.000       121.7523 178.0482 5.248588 170.3847 7.317351 7.663498       9.005071 
1 1 1 5   4  3  o 270.1123 5.260342 3575.804       139.0799 3652.454       199.2274 3502.940       194.2447 272.6964 7.470899 267.0565 7.438118 5.639832       10.54229 
1 1 1 5   4  4  o 378.9334 7.174899 7046.728       266.1246 7160.876       380.8362 6937.796       372.0321 381.3232 10.21245 375.3500 10.13527 5.973267       14.38812 
1 1 1 5   4  5  o 676.9446 12.62683 22625.47       836.6687 23571.84       1218.611 21781.55       1150.759 687.5524 18.12307 661.1264 17.79873 26.42603       25.40158 
1 1 1 5   4  6  o 334.4749 6.388350 5487.554       209.1503 5564.635       298.8073 5413.516       292.8491 336.3093 9.085402 331.7190 9.027578 4.590271       12.80788 
1 1 1 5   4  7  o 158.9856 3.454049 1237.838       53.75175 1286.724       77.83345 1193.265       74.32104 161.9684 4.915103 155.9727 4.874053 5.995667       6.922040 
1 1 1 5   4  8  o 127.3541 3.019191 794.1176       37.63655 788.3240       53.33749 799.8629       53.11545 126.7884 4.304046 127.7169 4.254739 -0.9284897     6.052075 
1 1 1 5   4  9  o 191.2862 3.972007 1791.866       74.37035 1835.124       107.0412 1751.498       103.4042 193.4388 5.659370 188.9805 5.596206 4.458282       7.959020 
1 1 1 5   4  10 o 418.7874 7.893589 8600.212       323.5745 8746.635       463.3254 8460.805       452.0884 421.7693 11.23289 414.8310 11.14396 6.938385       15.82295 
1 1 1 5   4  11 o 385.7502 8.429505 7296.218       318.2838 7375.000       554.4995 7257.506       388.6942 386.8242 14.67132 384.4073 10.33963 2.416901       17.94869 
1 1 1 5   4  12 o 418.0740 9.097921 8570.902       372.3073 8691.000       650.0448 8512.275       454.1793 419.8717 15.84530 416.2902 11.15621 3.581482       19.37871 
1 1 1 5   4  13 o 496.2733 9.285171 12077.56       451.0421 12450.00       920.1666 11959.78       517.4730 501.9953 18.75967 493.6861 10.70855 8.309265       21.60089 
1 1 1 5   4  14 o 303.6706 5.875483 4516.859       174.6436 4605.000       351.9146 4488.058       201.1629 306.0191 11.77045 302.6595 6.790274 3.359589       13.58864 
1 1 1 5   4  15 o 224.2574 5.249950 2463.006       115.2413 2598.000       204.3702 2400.072       139.5421 229.9858 9.096364 221.2417 6.450540 8.744049       11.15138 
1 1 1 5   4  16 o 377.4496 8.284186 6985.050       306.0660 6914.000       524.9305 7021.645       376.7295 374.5883 14.34315 378.1283 10.18779 -3.539948      17.59310 
1 1 1 5   4  17 o 170.8722 3.803076 1429.535       63.60813 1421.000       122.6535 1432.675       74.39401 170.1066 7.383941 170.9893 4.448688 -0.8826752     8.620522 
1 1 1 5   4  18 o 347.4238 6.663425 5915.486       226.6018 5772.881       314.4275 6069.593       326.8606 342.8532 9.378084 351.5434 9.507718 -8.690186      13.35459 
1 1 1 5   4  19 o 374.6986 7.138049 6883.893       261.7989 6891.631       369.8015 6876.118       370.6792 374.4324 10.09917 374.0046 10.13481 0.4277649      14.30761 
1 1 1 5   4  20 o 89.83939 3.683569 395.8977       32.32360 324.8000       48.06013 454.6221       43.67835 81.17482 6.093102 96.22472 4.651163 -15.04990      7.665455 
1 1 1 5   4  21 o 471.9852 12.64101 10993.43       583.4791 0.000000       0.000000 10993.43       583.4791 ?        ?        471.9852 12.64101 ?              ?        
1 1 1 5   4  22 o 251.0748 5.828263 3090.975       143.2348 3093.000       246.1801 3089.938       176.1131 250.4953 10.06078 250.8094 7.181069 -0.3140869     12.36071 
1 1 1 5   4  23 o 152.1791 4.140319 1135.469       61.61568 1122.766       74.07256 1164.000       111.0127 151.2609 5.009843 153.7783 7.396849 -2.517441      8.933751 
1 1 1 5   4  24 f 243.3620 5.704515 2905.120       135.8869 2781.000       226.9747 2974.461       169.6503 237.3880 9.789156 246.0025 7.052732 -8.614441      12.06518 
1 1 1 5   4  25 o 122.1851 3.928535 732.2675       46.92347 733.6000       78.92097 731.5389       58.35896 122.0486 6.631133 122.0500 4.894917 -0.1403809E-02 8.242096 
1 1 1 5   4  26 o 45.59408 4.628749 102.9683       20.37153 103.6475       26.44524 101.9771       31.94798 45.54893 6.083451 44.94025 7.528818 0.6086769      9.679436 
1 1 1 5   4  27 f 155.6716 3.671753 1187.493       55.94857 1130.258       76.06148 1254.970       82.58722 151.6987 5.129818 159.8410 5.285866 -8.142349      7.365827 
1 1 1 5   4  28 o 294.9998 5.800084 4273.160       167.4797 4201.133       233.2509 4349.814       240.6254 291.9191 8.171127 297.0136 8.284825 -5.094513      11.63639 
1 1 1 5   4  29 o 137.2621 3.540554 923.9176       47.52972 913.8262       65.30279 935.2857       69.31046 136.3868 4.899587 137.9547 5.141816 -1.567978      7.102410 
1 1 1 5   4  30 o 144.1211 3.641226 1018.737       51.32555 1071.339       72.63534 966.2798       72.53532 147.6558 5.032994 140.1895 5.295530 7.466370       7.305729 
1 1 1 5   4  31 o 290.3213 8.121993 4162.788       230.5795 4162.788       230.5795 0.000000       0.000000 290.3213 8.121993 ?        ?        ?              ?        
1 1 1 5   4  32 f 304.7400 6.924299 4575.526       206.5435 4499.885       249.5589 4740.000       367.9945 301.6001 8.461843 307.7689 12.23989 -6.168793      14.88011 
1 1 1 5   4  33 o 206.4857 5.075939 2095.299       102.5918 2057.225       123.5162 2180.000       184.2263 204.3060 6.183531 209.5093 9.004451 -5.203247      10.92319 
1 1 1 5   4  34 o 174.1546 3.964336 1488.727       67.57899 1513.425       95.21834 1463.659       95.92787 175.2603 5.557509 172.3228 5.694987 2.937469       7.957310 
1 1 1 5   4  35 o 169.4156 4.532777 1412.110       75.09890 1496.933       93.83855 1261.000       125.2481 174.2169 5.509743 159.1740 8.065111 15.04285       9.767461 
1 1 1 5   4  36 o 128.7844 4.034210 815.9830       50.79159 800.1000       82.89434 825.5306       64.26917 126.9420 6.695017 129.3377 5.086501 -2.395706      8.408077 
1 1 1 5   4  37 o 100.0288 3.444068 492.1148       33.67091 531.1588       47.16144 451.5219       48.08778 103.7188 4.657285 95.51180 5.162842 8.206955       6.953074 
1 1 1 5   4  38 o 46.07233 4.864216 105.9329       21.60534 110.1410       29.41162 101.0005       31.84201 46.61627 6.632704 44.36723 7.605747 2.249039       10.09159 
1 1 1 5   4  39 o 98.74529 3.492609 480.3015       33.70452 530.6422       48.50843 433.3145       46.86483 103.5072 4.800925 93.42753 5.144528 10.07970       7.036693 
1 1 1 5   4  40 o 82.29107 3.560797 334.1648       28.61391 329.4054       39.94336 339.1819       41.01007 81.36780 5.039911 82.55481 5.099967 -1.187012      7.170102 
1 1 1 5   4  41 o 35.30164 6.991223 64.71149       23.30280 49.46000       34.81621 77.08823       31.36380 31.13354 10.04187 38.19559 8.597066 -7.062046      13.21925 
1 1 1 5   4  42 o 68.31675 4.322503 231.9845       28.75652 295.9000       46.53201 192.4908       36.57740 76.58272 6.262104 61.70702 6.137069 14.87570       8.767985 
1 1 1 5   4  43 o 84.87272 3.586791 356.2714       29.73036 384.1821       41.52623 326.9208       42.58388 87.76549 4.852733 80.75019 5.418972 7.015297       7.274220 
1 1 1 5   4  44 o 78.89100 4.575191 310.3303       35.17836 331.1000       65.45707 301.8951       41.71460 79.74870 8.517151 77.47688 5.537098 2.271820       10.15880 
1 1 1 5   4  45 o 53.31006 5.893820 144.5807       30.24180 211.0000       60.64153 122.5942       34.88999 62.42414 10.28225 48.42360 7.611897 14.00054       12.79319 
1 1 1 5   4  46 o 44.45506 5.333184 100.5827       22.74399 115.9447       31.04146 82.77655       33.41978 47.19588 6.925320 39.00124 8.945043 8.194645       11.31255 
1 1 1 5   4  47 o 30.37844 7.102691 49.34257       20.74009 48.30640       27.43165 50.72528       31.68859 29.83568 8.795632 30.56382 9.547572 -0.7281437     12.98150 
1 1 1 5   4  48 f 24.09956 7.840585 30.14194       21.19795 44.30570       26.28884 3.815000       35.84118 28.54070 8.657404 21.62446 9.321159 6.916235       12.72143 
1 1 1 5   4  49 o 41.16226 5.334372 87.24302       20.98762 88.97771       28.48132 85.18181       31.04622 40.69165 7.424170 39.37642 8.316204 1.315231       11.14798 
1 1 1 5   4  50 o 72.81038 4.464996 267.5098       31.66846 278.5354       37.01529 237.4000       61.16927 73.93997 5.146535 64.91154 9.943557 9.028435       11.19648 
1 1 1 5   4  51 o 57.24852 4.135839 165.1721       23.01953 158.3599       31.65664 172.8159       33.53344 55.21085 5.951716 57.65496 6.031158 -2.444115      8.473358 
1 1 1 5   4  52 o 93.07002 3.464517 432.3624       31.50649 438.2422       44.01120 426.1817       45.12342 92.83369 4.860342 91.39826 5.063590 1.435425       7.018751 
1 1 1 5   4  53 o 48.94225 4.453080 121.9109       21.09959 130.7727       29.44617 112.5596       30.24865 49.86449 6.164082 45.78384 6.969350 4.080647       9.304179 
1 1 1 5   4  54 o 22.74120 8.098783 26.28103       22.70046 72.26000       45.03646 10.62081       26.28352 34.20884 11.44172 19.85266 8.237864 14.35618       14.09877 
1 1 1 5   4  55 o 66.92970 3.717772 225.5437       24.26040 221.7605       33.79353 229.5671       34.84960 65.41859 5.323449 66.51405 5.399151 -1.095467      7.582212 
1 1 1 5   4  56 o 36.08757 5.756075 69.01795       19.64989 73.27863       27.40425 64.50920       28.19072 36.04480 7.978378 33.46723 8.569421 2.577568       11.70852 
1 1 1 5   4  57 o 33.77873 6.691144 62.33750       21.34067 71.32000       33.42315 56.15502       27.72876 34.56867 9.557748 31.07777 8.747570 3.490898       12.95649 
1 1 1 5   4  58 o 28.06812 6.956122 43.73909       19.01370 35.49340       25.95967 53.28180       27.92683 25.36767 8.685575 30.21951 8.865549 -4.851843      12.41117 
1 1 1 5   4  59 o 58.07727 6.066965 178.9852       33.98113 142.3000       54.02476 203.0000       43.71059 46.86486 11.78936 60.67981 7.520121 -13.81495      13.98361 
1 1 1 5   4  60 o 53.64962 4.313796 147.1792       22.46255 166.9300       31.64166 127.1127       31.89353 56.19385 5.837566 48.23599 6.955739 7.957859       9.080721 
1 1 1 5   4  61 o 24.01467 8.102804 32.07645       22.58327 35.44557       25.82030 21.11000       46.58391 25.09348 8.659644 24.84600 10.66714 0.2474785      13.73962 
1 1 1 5   4  62 o 35.78371 6.031511 69.55131       20.37562 89.98669       28.28570 47.50986       29.37619 39.78621 7.539085 28.08132 9.235691 11.70489       11.92207 
1 1 1 5   5  0  o 609.2604 11.36608 18290.40       677.8283 18871.05       980.3807 17758.65       938.1980 616.4768 16.26115 598.1352 16.03914 18.34161       22.84029 
1 1 1 5   5  1  o 309.1078 6.877837 4687.943       208.0981 4542.000       351.6801 4766.575       258.1416 303.2832 11.86950 311.3737 8.477625 -8.090424      14.58613 
1 1 1 5   5  2  o 193.3777 4.593567 1832.235       86.94860 1785.210       105.1355 1934.000       154.6633 190.7426 5.637312 198.2896 7.984916 -7.546997      9.774364 
1 1 1 5   5  3  o 473.9219 10.30066 11056.52       477.8349 10210.00       779.5742 11565.95       604.7573 452.5650 17.63202 483.7957 12.78184 -31.23071      21.77759 
1 1 1 5   5  4  o 520.7823 9.756526 13344.74       497.3449 13391.73       705.7701 13298.38       700.9583 520.1041 13.87570 518.3069 13.82889 1.797180       19.59013 
1 1 1 5   5  5  o 354.0097 6.733997 6148.643       233.3428 6221.313       332.8663 6078.425       327.1997 355.5211 9.574004 351.4229 9.520878 4.098297       13.50217 
1 1 1 5   5  6  o 204.3671 4.165455 2045.919       83.32582 2079.814       119.3413 2013.676       116.3950 205.8734 5.928390 202.5756 5.876247 3.297867       8.347219 
1 1 1 5   5  7  o 328.2491 6.282005 5282.938       201.8404 5213.637       283.1657 5354.518       287.7811 325.6715 8.891215 330.0414 8.916321 -4.369873      12.59184 
1 1 1 5   5  8  f 339.2403 6.477692 5641.649       215.0968 5689.511       306.1640 5595.000       302.2591 340.2686 9.200786 337.4345 9.159790 2.834015       12.98292 
1 1 1 5   5  9  o 221.3878 4.464972 2400.305       96.75614 2372.966       136.1834 2428.173       137.4937 219.9602 6.331783 222.5072 6.319353 -2.546982      8.945708 
1 1 1 5   5  10 o 171.5773 4.221752 1441.481       70.90205 1472.000       122.9007 1426.257       86.80347 173.1490 7.267667 170.5679 5.205257 2.581085       8.939446 
1 1 1 5   5  11 o 391.8349 8.553340 7527.569       328.0538 7563.000       568.7987 7509.909       401.5731 391.7773 14.85939 391.0591 10.50048 0.7181396      18.19510 
1 1 1 5   5  12 o 702.6755 13.03668 24259.93       896.6605 24890.00       1824.984 24059.43       1029.489 706.9866 26.41839 699.3128 15.03987 7.673767       30.39949 
1 1 1 5   5  13 o 622.1597 11.56954 19003.54       704.5701 19660.00       1442.763 18797.95       807.3922 629.3524 23.46150 618.4685 13.33708 10.88391       26.98740 
1 1 1 5   5  14 o 400.1618 8.736166 7851.457       342.1864 8157.000       606.9973 7709.122       414.2918 406.8211 15.27034 396.1930 10.69278 10.62814       18.64186 
1 1 1 5   5  15 o 99.27483 4.504604 483.5809       43.65852 0.000000       0.000000 483.5809       43.65852 ?        ?        99.27483 4.504604 ?              ?        
1 1 1 5   5  16 o 290.8057 5.677063 4142.466       161.5968 3996.000       312.7057 4195.832       188.7539 285.0398 11.22987 292.6288 6.589807 -7.589081      13.02058 
1 1 1 5   5  17 o 253.2048 5.061753 3140.105       125.4525 3147.000       247.5871 3137.723       145.5159 253.0114 10.01707 253.0761 5.874258 -0.6466675E-01 11.61244 
1 1 1 5   5  18 o 131.4944 3.348849 847.0938       43.06807 878.9985       59.01783 810.7487       62.99102 133.8954 4.509533 128.5573 5.015449 5.338120       6.744673 
1 1 1 5   5  19 o 392.6407 7.457034 7561.188       286.5944 7299.412       394.3369 7854.262       417.2439 385.2473 10.46705 399.5921 10.67717 -14.34482      14.95196 
1 1 1 5   5  20 o 146.1328 4.138274 1046.757       59.13380 998.5000       96.44695 1075.824       74.85406 142.5174 6.934575 148.0860 5.172047 -5.568542      8.650919 
1 1 1 5   5  21 o 302.2542 6.791291 4481.547       200.9236 4382.770       241.6136 4703.000       361.7706 298.6239 8.273884 308.6470 11.99756 -10.02307      14.57390 
1 1 1 5   5  22 o 147.2787 4.966676 1064.310       71.49741 1041.000       97.03102 1092.000       105.7568 145.4878 6.832707 148.9692 7.274797 -3.481400      9.980409 
1 1 1 5   5  23 o 137.7368 3.994787 930.2396       53.80107 960.2000       89.94501 913.5480       67.13550 139.7157 6.595585 136.4182 5.036395 3.297485       8.298615 
1 1 1 5   5  24 o 269.0880 5.341690 3551.016       140.6952 3492.289       195.5928 3613.986       202.5348 266.4843 7.505986 271.0678 7.640979 -4.583527      10.71095 
1 1 1 5   5  25 o 161.2681 4.343665 1275.655       68.50391 1242.000       114.4351 1294.451       85.52001 158.7918 7.382699 162.3566 5.388820 -3.564835      9.140221 
1 1 1 5   5  26 o 374.2446 8.289261 6895.453       303.6530 7148.000       537.3124 6776.948       368.0644 378.4610 14.53139 370.3288 10.16344 8.132172       17.73293 
1 1 1 5   5  27 o 150.5463 3.622573 1110.579       53.38182 1041.420       71.84131 1195.837       79.76557 145.6125 5.048084 156.0274 5.230254 -10.41483      7.269024 
1 1 1 5   5  28 o 163.3656 5.348038 1311.292       85.40350 1293.000       117.2015 1332.000       124.7050 161.9288 7.414073 164.2965 7.776491 -2.367722      10.74441 
1 1 1 5   5  29 o 282.9691 5.601933 3931.890       155.1612 3947.858       218.8597 3915.755       220.0070 282.9678 7.909497 281.7943 7.984285 1.173462       11.23873 
1 1 1 5   5  30 o 177.7543 4.001367 1549.283       69.62011 1539.180       96.53528 1560.234       100.4997 176.9302 5.581120 178.1089 5.772277 -1.178635      8.029202 
1 1 1 5   5  31 o 231.7788 5.507118 2639.516       124.9408 2698.428       153.9854 2526.000       213.7501 234.0310 6.729011 225.6142 9.701748 8.416794       11.80693 
1 1 1 5   5  32 o 236.8206 6.847760 2765.835       158.5689 2765.835       158.5689 0.000000       0.000000 236.8206 6.847760 ?        ?        ?              ?        
1 1 1 5   5  33 f 130.7617 3.507869 839.1370       44.85778 809.6645       60.70160 874.5968       66.58241 128.2822 4.842927 133.2945 5.112661 -5.012283      7.042247 
1 1 1 5   5  34 o 189.9873 4.815051 1775.580       89.47086 1796.667       109.4049 1733.000       155.4640 190.8794 5.862550 186.6808 8.530475 4.198563       10.35077 
1 1 1 5   5  35 o 90.33405 3.472335 401.0720       30.64573 421.0358       41.52638 377.1961       45.41317 92.41248 4.605299 87.34345 5.337326 5.069023       7.049527 
1 1 1 5   5  36 o 146.0753 3.650957 1048.139       52.20231 1078.831       73.12086 1016.236       74.55033 147.8656 5.059506 143.4451 5.318758 4.420486       7.340831 
1 1 1 5   5  37 o 147.0091 3.683599 1063.086       52.96398 1042.705       72.72917 1086.099       77.28281 145.2488 5.123545 148.1829 5.336891 -2.934097      7.398183 
1 1 1 5   5  38 o 67.04173 3.826011 221.9208       25.00292 219.3509       33.30191 225.2410       37.85255 66.41207 5.163443 67.16184 5.815169 -0.7497711     7.776717 
1 1 1 5   5  39 o 96.74942 3.449510 461.1130       32.61493 519.4311       46.52543 404.7628       45.73370 102.4265 4.652727 90.25641 5.198685 12.17004       6.976689 
1 1 1 5   5  40 o 59.87574 4.080692 177.7832       23.77320 196.0814       32.56349 156.9003       34.78735 62.60870 5.365290 55.65567 6.508411 6.953026       8.434793 
1 1 1 5   5  41 o 33.13508 6.384854 56.73869       19.95740 75.38361       26.76897 33.40633       29.94545 38.03503 7.456866 26.67508 9.318953 11.35995       11.93515 
1 1 1 5   5  42 o 147.6571 3.737991 1077.260       53.98205 1116.746       76.62136 1038.345       76.06596 149.6611 5.238477 144.2236 5.397774 5.437408       7.521809 
1 1 1 5   5  43 o 33.65336 7.059483 59.31691       22.51111 94.73000       33.07386 28.75198       30.72661 42.35796 8.273951 25.58832 9.379929 16.76964       12.50765 
1 1 1 5   5  44 o 88.42630 4.039103 388.2055       34.86777 417.1000       55.03625 368.8318       45.06579 90.79170 6.230707 85.70764 5.399254 5.084061       8.244614 
1 1 1 5   5  45 o 67.04857 4.983237 225.6939       32.47066 243.6000       61.58273 218.7988       38.21433 67.51339 9.588180 65.63669 6.014835 1.876701       11.31863 
1 1 1 5   5  46 o 34.30253 8.357310 63.67672       27.79857 20.74000       53.12840 79.86304       32.62019 27.99224 11.67164 38.29310 8.876253 -10.30087      14.66339 
1 1 1 5   5  47 o 40.63937 5.956601 85.50566       22.99156 81.37653       28.05520 93.95000       40.12049 38.98766 7.624856 40.85761 10.09212 -1.869953      12.64869 
1 1 1 5   5  48 f 49.80298 4.682453 125.6665       22.55847 130.4654       30.15102 119.5644       33.99957 50.09366 6.287253 47.30543 7.600053 2.788231       9.863588 
1 1 1 5   5  49 o 74.26067 4.489729 277.9845       32.48267 282.0957       37.56507 265.8000       64.67023 74.45082 5.187205 68.98640 9.857018 5.464424       11.13858 
1 1 1 5   5  50 o 12.95354 6.007164 -13.69377      18.17317 -12.67542      24.34452 -14.97553      27.31220 15.60196 7.131689 16.35293 7.504421 -0.7509680     10.35265 
1 1 1 5   5  51 o 59.51098 4.054203 178.2655       23.47511 161.3376       31.87851 198.3202       34.69807 55.72807 5.935322 61.92080 5.792042 -6.192726      8.293118 
1 1 1 5   5  52 o 27.63668 7.100519 41.78789       19.30951 29.62886       26.39482 55.78780       28.32252 24.26520 8.722360 31.35403 8.846116 -7.088831      12.42310 
1 1 1 5   5  53 o 27.10898 8.305345 40.86406       24.11466 -29.27000      46.78239 66.24192       28.14139 20.20913 9.460153 34.20523 8.454197 -13.99610      12.68731 
1 1 1 5   5  54 o 41.60719 4.897241 89.44065       19.56310 86.67158       26.76170 92.61860       28.66954 39.84005 7.124113 41.04889 7.407826 -1.208839      10.27759 
1 1 1 5   5  55 o 22.32266 7.146872 26.76155       17.65817 23.21431       23.69048 31.19597       26.48788 22.01505 8.206080 24.38418 8.741057 -2.369127      11.98941 
1 1 1 5   5  56 o 21.68633 7.139998 24.91730       17.55536 12.02947       23.92966 39.93750       25.83357 19.46814 7.945886 26.63503 8.654807 -7.166885      11.74916 
1 1 1 5   5  57 o 23.95369 7.192235 31.62196       18.20996 6.423154       24.44630 63.03328       27.29393 18.45823 7.819469 33.06670 8.413518 -14.60847      11.48614 
1 1 1 5   5  58 o 36.00578 7.018313 71.40200       23.84581 48.42000       31.17665 103.8000       37.01645 28.81247 9.516280 42.04483 9.246506 -13.23237      13.26866 
1 1 1 5   5  59 o 57.26055 4.565858 168.2732       25.37900 152.3000       38.51824 180.5274       33.73765 52.27661 7.762906 58.37612 5.989208 -6.099510      9.804761 
1 1 1 5   5  60 f 23.61308 10.49078 6.978000       48.54119 6.978000       48.54119 0.000000       0.000000 23.61308 10.49078 ?        ?        ?              ?        
1 1 1 5   5  61 o 20.92858 7.321550 22.87728       18.48813 31.52458       25.77203 13.70896       26.53708 24.05215 8.622121 20.17225 8.315104 3.879906       11.97839 
1 1 1 5   5  62 o 39.56334 5.336552 83.02942       20.13966 57.61289       27.64335 111.7816       29.40143 30.96118 8.740841 44.91880 6.907992 -13.95761      11.14103 
1 1 1 5   6  0  o 757.5160 14.13470 28400.17       1048.056 29519.02       1524.133 27396.56       1443.502 767.5145 20.30541 739.6838 19.95547 27.83069       28.46982 
1 1 1 5   6  1  o 458.3858 8.618790 10326.26       386.7085 10763.18       563.0331 9936.085       532.0573 466.8119 12.33293 448.5721 12.12882 18.23972       17.29768 
1 1 1 5   6  2  o 446.1493 9.710362 9792.621       424.0547 9472.682       507.7845 10530.00       770.8871 438.0873 11.85255 459.8102 17.15807 -21.72296      20.85383 
1 1 1 5   6  3  o 191.3235 3.957385 1793.010       74.11103 1752.375       103.4474 1835.856       106.2254 188.9802 5.598559 193.4314 5.616365 -4.451248      7.930159 
1 1 1 5   6  4  o 276.0382 5.379568 3734.916       145.3526 3792.186       207.8371 3680.089       203.3554 277.8247 7.649966 273.6917 7.598158 4.133026       10.78211 
1 1 1 5   6  5  o 254.6186 5.008089 3176.788       124.8155 3041.541       171.8802 3327.677       181.5478 248.8898 7.062393 260.3348 7.131184 -11.44504      10.03649 
1 1 1 5   6  6  o 291.2521 5.637913 4157.439       160.7288 4144.297       227.2604 4170.591       227.3492 290.4752 8.000596 291.3988 7.978262 -0.9236145     11.29877 
1 1 1 5   6  7  o 460.7593 8.651319 10419.82       390.1779 10415.81       552.4970 10423.80       551.0953 459.8459 12.28572 460.0312 12.24954 -0.1852417     17.34907 
1 1 1 5   6  8  o 400.5470 8.729357 7871.438       342.2488 7652.000       580.4382 7988.392       423.7499 393.6793 15.09080 403.1141 10.74888 -9.434784      18.52756 
1 1 1 5   6  9  o 155.5776 3.936621 1185.864       59.90015 1097.000       98.38775 1238.202       75.50655 149.4692 6.742215 158.9325 4.859327 -9.463318      8.310868 
1 1 1 5   6  10 o 762.7589 16.36244 28662.25       1221.635 26890.00       2018.820 29686.12       1534.464 733.5826 28.16761 774.6553 20.25418 -41.07275      34.69360 
1 1 1 5   6  11 o 318.0976 6.111537 4956.494       190.2905 4792.000       370.1566 5015.582       221.8506 312.1422 12.13823 319.9403 7.084112 -7.798126      14.05423 
1 1 1 5   6  12 o 417.6409 7.878438 8548.880       322.0693 8361.000       631.6624 8614.883       374.3912 411.8510 15.69764 419.1467 9.125429 -7.295685      18.15735 
1 1 1 5   6  13 o 226.8603 5.265228 2520.472       116.9181 2593.000       204.2223 2485.110       142.6001 229.7706 9.098337 225.1319 6.477813 4.638641       11.16879 
1 1 1 5   6  14 o 108.6706 3.094786 578.5701       32.88564 673.0000       62.59473 542.5687       38.64937 117.0937 5.476495 105.2049 3.759230 11.88883       6.642576 
1 1 1 5   6  15 o 790.3624 14.66753 30745.25       1134.722 32830.00       2379.105 30131.35       1291.028 808.9292 30.09921 781.7217 16.87242 27.20746       34.50566 
1 1 1 5   6  16 o 286.4062 5.615504 4018.151       157.4263 4329.000       326.1600 3923.739       179.7505 296.6708 11.25220 282.9793 6.489470 13.69153       12.98943 
1 1 1 5   6  17 o 399.7516 8.756994 7839.401       342.6506 7837.000       590.4606 7840.621       420.7424 398.4691 15.16644 399.3974 10.77213 -0.9282227     18.60268 
1 1 1 5   6  18 o 276.7712 6.337436 3754.369       171.6883 0.000000       0.000000 3754.369       171.6883 ?        ?        276.7712 6.337436 ?              ?        
1 1 1 5   6  19 o 156.3282 3.616918 1196.695       55.34547 1193.837       75.44765 1200.025       81.43549 156.0269 4.946399 156.4062 5.327064 -0.3793335     7.269420 
1 1 1 5   6  20 o 107.9617 4.425159 571.9255       46.66412 588.0000       61.55226 550.2000       71.55836 109.3736 5.769845 105.6818 6.956258 3.691841       9.037734 
1 1 1 5   6  21 o 198.5498 4.200392 1931.197       81.63293 1809.713       109.1965 2085.108       122.9091 192.0324 5.816056 206.1123 6.098904 -14.07982      8.427524 
1 1 1 5   6  22 o 111.3937 3.614305 608.4176       39.35651 587.3590       45.98280 666.1000       76.10307 109.4039 4.302333 116.3098 6.713192 -6.905876      7.973519 
1 1 1 5   6  23 o 300.3788 6.789198 4429.766       199.6154 4761.000       360.2494 4283.007       239.7933 310.1816 11.88736 295.0148 8.312279 15.16678       14.50529 
1 1 1 5   6  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   6  25 o 197.4042 4.213218 1909.965       81.40975 1949.409       114.6942 1869.916       115.5724 199.2068 5.888543 195.0777 6.059927 4.129105       8.449714 
1 1 1 5   6  26 o 413.6220 7.865762 8419.487       318.4569 8452.853       450.4120 8386.136       450.3202 413.1481 11.14795 411.4948 11.19062 1.653290       15.79578 
1 1 1 5   6  27 o 188.2967 4.774516 1740.157       87.92813 1757.000       150.7157 1731.466       108.2616 188.6943 8.179490 187.6861 5.900324 1.008163       10.08553 
1 1 1 5   6  28 o 188.8559 4.792933 1750.795       88.52930 1745.000       150.2928 1753.874       109.5524 188.0065 8.186560 188.8722 5.933167 -0.8657379     10.11050 
1 1 1 5   6  29 o 178.1188 3.986893 1555.450       69.51054 1607.001       98.22167 1503.728       98.38403 180.8131 5.556314 174.8732 5.755556 5.939972       7.999940 
1 1 1 5   6  30 o 407.2859 8.998847 8198.121       358.7504 8182.452       438.1394 8230.000       624.9216 405.7583 11.04187 403.6975 15.84556 2.060791       19.31333 
1 1 1 5   6  31 o 156.6101 3.751833 1202.606       57.51346 1174.840       77.72523 1236.207       85.50249 154.5807 5.144058 158.5168 5.519000 -3.936066      7.544580 
1 1 1 5   6  32 o 118.4851 3.409091 688.8534       39.49634 683.8166       53.40020 694.9366       58.68569 117.9214 4.635438 118.8242 5.057261 -0.9027939     6.860261 
1 1 1 5   6  33 o 202.5076 6.094312 2021.734       120.6640 2021.734       120.6640 0.000000       0.000000 202.5076 6.094312 ?        ?        ?              ?        
1 1 1 5   6  34 f 172.5160 3.954571 1461.217       66.77823 1597.592       97.10905 1338.876       91.97714 180.0340 5.517113 164.7556 5.712035 15.27831       7.941403 
1 1 1 5   6  35 o 143.8404 3.641966 1016.484       51.23582 1103.391       73.19727 932.9989       71.74143 149.6170 5.005180 137.4973 5.340676 12.11963       7.319470 
1 1 1 5   6  36 o 84.19196 3.504115 348.7395       28.81408 351.1299       38.48148 345.6890       43.47188 84.30793 4.681509 83.53230 5.344810 0.7756348      7.105175 
1 1 1 5   6  37 o 116.2439 3.429082 664.5668       38.97437 710.2364       54.40062 616.4059       55.86472 119.9349 4.642727 111.6094 5.127346 8.325500       6.916978 
1 1 1 5   6  38 o 69.86499 3.728822 240.8935       25.40747 249.1638       33.80148 230.1515       38.52289 70.84570 4.904617 67.86818 5.856137 2.977516       7.638691 
1 1 1 5   6  39 o 127.2231 3.543694 797.3739       44.08644 828.8195       61.85237 764.9007       62.85500 129.3277 4.894893 124.1396 5.184180 5.188042       7.129916 
1 1 1 5   6  40 o 50.00634 4.651451 124.8325       22.50667 127.3177       29.84100 121.5537       34.27643 50.12935 6.214554 48.61274 7.439712 1.516617       9.693812 
1 1 1 5   6  41 o 173.8718 4.036741 1493.821       68.70152 1614.443       99.94489 1385.771       94.59308 179.8293 5.685123 166.5202 5.812361 13.30908       8.130447 
1 1 1 5   6  42 o 113.7184 3.494618 638.5357       38.85269 613.7598       52.70796 668.0170       57.49570 111.0306 4.861625 115.7506 5.087070 -4.720070      7.036596 
1 1 1 5   6  43 o 89.89380 3.548934 399.6013       31.16589 413.9656       42.71284 383.2460       45.57689 91.11079 4.806416 87.46079 5.349430 3.650002       7.191525 
1 1 1 5   6  44 o 53.44140 4.921769 143.5376       25.45674 162.3000       37.07289 126.7981       35.01750 56.18911 6.884245 49.35464 7.482921 6.834476       10.16794 
1 1 1 5   6  45 o 35.30570 6.746217 65.26440       22.46399 75.67000       31.70641 54.77639       31.83172 37.41242 8.805536 31.89566 9.493165 5.516760       12.94827 
1 1 1 5   6  46 o 73.73653 4.127367 271.3696       29.67052 291.7111       37.05012 235.0000       49.54142 76.11845 5.000405 67.00516 7.692980 9.113297       9.175293 
1 1 1 5   6  47 f 41.42245 7.100564 90.80339       27.75399 127.6000       52.31261 76.38877       32.74192 46.86517 11.49303 37.13537 9.083780 9.729797       14.64940 
1 1 1 5   6  48 o 52.42814 5.302205 140.4617       26.83632 133.8552       29.98001 167.1000       60.20029 50.80233 6.154283 53.22525 11.85879 -2.422924      13.36062 
1 1 1 5   6  49 o 101.7684 3.505669 515.8410       34.86913 575.3008       49.46757 457.1215       49.15866 106.7166 4.747565 94.72171 5.323479 11.99489       7.132937 
1 1 1 5   6  50 o 49.84517 4.426329 125.8521       21.37165 142.9602       29.05894 105.6957       31.54164 52.56977 5.740435 44.24746 7.553578 8.322319       9.487314 
1 1 1 5   6  51 o 34.71796 5.850762 63.42021       19.17646 61.87182       25.73935 65.35184       28.74875 33.40391 7.981489 34.07708 8.615447 -0.6731682     11.74436 
1 1 1 5   6  52 o 48.95063 6.534820 126.9611       30.52961 0.000000       0.000000 126.9611       30.52961 ?        ?        48.95063 6.534820 ?              ?        
1 1 1 5   6  53 o 43.46742 4.698093 96.90083       19.67177 103.8064       26.57820 88.53479       29.25409 44.23141 6.318194 40.03426 7.745398 4.197151       9.995538 
1 1 1 5   6  54 o 19.36920 7.066795 17.57623       17.40959 10.11790       22.83370 27.93233       26.90629 18.82531 7.731560 23.69162 8.761424 -4.866306      11.68502 
1 1 1 5   6  55 o 34.10339 5.877203 61.99045       18.91074 82.01073       25.61528 38.00738       28.03602 38.73131 7.014843 26.22490 9.024652 12.50641       11.43033 
1 1 1 5   6  56 o 15.13161 6.478588 1.817406       17.09565 6.951791       22.92798 -4.610962      25.65500 18.14101 7.622770 16.97787 7.579451 1.163145       10.74964 
1 1 1 5   6  57 o 40.27206 5.710768 85.78396       21.88091 84.84778       27.23050 87.49000       36.75951 39.12164 7.381598 38.13479 9.796490 0.9868507      12.26618 
1 1 1 5   6  58 o 17.80047 7.006627 11.86660       17.91711 5.952431       23.85465 19.52151       27.13914 18.18377 7.714629 21.69581 8.597191 -3.512035      11.55107 
1 1 1 5   6  59 o 36.71299 7.828985 76.37090       27.27470 89.38000       32.70527 46.66000       49.42561 39.16559 8.751799 29.10477 11.57973 10.06082       14.51497 
1 1 1 5   6  60 o 40.95173 5.798269 89.36053       22.59292 82.77000       34.82666 94.14955       29.68756 36.95519 9.557154 40.85775 7.705746 -3.902554      12.27671 
1 1 1 5   6  61 o 13.60423 6.723476 -61.90057      32.78700 -20.12000      47.74017 -99.20000      45.10741 20.55555 9.600801 14.95025 7.469877 5.605292       12.16448 
1 1 1 5   6  62 o 15.09971 6.878243 -8.338107      22.39370 53.35000       49.59478 -24.13618      25.09789 29.40069 11.63089 14.08468 6.693815 15.31602       13.41957 
1 1 1 5   7  0  o 197.0098 4.049376 1901.154       78.08761 2002.036       114.0850 1812.230       107.1098 201.9993 5.775889 192.1838 5.700151 9.815430       8.114963 
1 1 1 5   7  1  f 172.7361 3.672253 1461.299       62.09002 1486.431       88.72175 1437.175       86.92298 174.0771 5.212808 171.1675 5.194096 2.909668       7.358804 
1 1 1 5   7  2  o 320.1622 6.144829 5025.995       192.5688 5106.338       275.5257 4949.270       269.2497 322.2882 8.742039 317.2996 8.677355 4.988586       12.31746 
1 1 1 5   7  3  f 221.7268 4.457487 2408.342       96.74188 2398.919       136.7731 2417.777       136.8543 221.0981 6.326396 221.9681 6.305245 -0.8700104     8.931931 
1 1 1 5   7  4  o 518.8237 9.724599 13228.64       493.8531 13548.04       708.5632 12926.90       688.6884 523.7653 13.83299 511.6323 13.76427 12.13300       19.51427 
1 1 1 5   7  5  o 397.1801 7.506042 7737.743       291.8130 7710.967       411.9363 7764.715       413.4398 395.9092 10.63952 397.2873 10.64125 -1.378052      15.04778 
1 1 1 5   7  6  o 153.0967 3.977861 1148.525       59.55986 1179.112       73.93845 1092.000       100.5143 155.0762 4.877074 149.0902 6.906440 5.985977       8.454865 
1 1 1 5   7  7  o 234.5751 5.384324 2695.404       123.6287 2595.000       208.3083 2749.999       153.6061 229.7789 9.280783 236.7922 6.633813 -7.013229      11.40791 
1 1 1 5   7  8  o 539.7045 11.63375 14307.67       614.5850 13290.00       1008.974 14907.98       774.9354 517.9668 19.93808 550.1937 14.40182 -32.22687      24.59552 
1 1 1 5   7  9  o 337.4141 6.448860 5577.568       212.9867 4965.000       392.3212 5833.555       253.6145 317.6390 12.64359 345.0077 7.509985 -27.36868      14.70579 
1 1 1 5   7  10 o 313.8710 6.037362 4825.563       185.4832 4416.000       347.8077 4988.336       219.2652 299.6573 11.88146 319.0730 7.020588 -19.41574      13.80064 
1 1 1 5   7  11 o 406.1635 8.849024 8088.543       351.8053 7675.000       586.0247 8321.556       439.8908 394.6559 15.19860 411.6317 10.92733 -16.97577      18.71908 
1 1 1 5   7  12 o 298.9865 6.665450 4379.670       195.0686 4286.000       331.6140 4429.232       241.2165 295.2407 11.49691 300.4795 8.209055 -5.238739      14.12684 
1 1 1 5   7  13 f 380.6971 7.219582 7102.280       269.0282 7264.000       544.2883 7049.998       309.4749 383.9835 14.50748 379.2115 8.337536 4.772034       16.73265 
1 1 1 5   7  14 o 522.8467 9.771126 13412.22       500.0636 13360.00       995.2930 13429.86       578.3631 519.5283 19.60720 522.9724 11.29837 -3.444092      22.62953 
1 1 1 5   7  15 o 291.5032 5.689309 4162.472       162.3339 4128.000       319.1054 4174.508       188.5554 289.6980 11.27489 291.8793 6.599779 -2.181274      13.06447 
1 1 1 5   7  16 o 184.3707 4.638846 1665.764       83.64943 1665.000       138.2543 1666.205       105.0615 184.1237 7.688105 184.3271 5.830353 -0.2033997     9.648832 
1 1 1 5   7  17 o 426.1069 9.319772 8912.134       388.7139 0.000000       0.000000 8912.134       388.7139 ?        ?        426.1069 9.319772 ?              ?        
1 1 1 5   7  18 o 501.9325 9.419451 12372.76       462.7827 13050.00       957.8897 12166.55       528.5622 512.3922 19.13244 497.4510 10.85524 14.94113       21.99742 
1 1 1 5   7  19 o 201.3545 4.241372 1985.845       83.59377 2007.233       116.4203 1963.083       120.1046 202.2761 5.886271 200.0160 6.141915 2.260086       8.507133 
1 1 1 5   7  20 o 427.8774 8.090025 8989.743       338.8250 9126.516       483.0158 8857.241       475.4163 430.2529 11.47941 423.8563 11.46961 6.396545       16.22741 
1 1 1 5   7  21 o 320.8573 6.204637 5049.693       194.8653 5270.450       282.0490 4848.086       269.5387 327.3097 8.811600 313.9168 8.780660 13.39285       12.43962 
1 1 1 5   7  22 o 333.6574 6.433448 5463.235       210.1120 5561.710       299.4339 5367.716       294.9043 336.0746 9.110869 330.1519 9.134369 5.922699       12.90134 
1 1 1 5   7  23 o 179.1354 3.927299 1572.229       68.86232 1531.933       93.97095 1618.966       101.2027 176.6527 5.441083 181.5795 5.701087 -4.926834      7.880848 
1 1 1 5   7  24 o 210.6013 5.098022 2175.089       105.0919 2017.000       170.1063 2272.675       133.6478 202.2450 8.612552 215.0604 6.355822 -12.81541      10.70386 
1 1 1 5   7  25 o 314.9353 7.084444 4875.117       218.3903 4987.000       381.2368 4820.469       266.4392 316.9293 12.31270 312.7029 8.713320 4.226440       15.08391 
1 1 1 5   7  26 o 209.0436 5.104273 2143.855       104.4424 2377.000       187.7194 2039.327       125.6933 219.4343 8.757329 203.6575 6.312917 15.77675       10.79554 
1 1 1 5   7  27 o 187.5130 4.776171 1725.824       87.59188 1885.000       156.2106 1652.823       105.7874 195.4401 8.183760 183.3609 5.901834 12.07915       10.08987 
1 1 1 5   7  28 o 273.7040 6.310246 3681.729       169.0572 3732.000       292.3596 3656.475       207.2138 274.2226 10.91381 272.3599 7.780627 1.862671       13.40333 
1 1 1 5   7  29 o 237.6284 6.911481 2780.932       160.5884 2777.000       225.2075 2785.000       229.0538 236.7348 9.739641 237.0296 9.894294 -0.2947540     13.88372 
1 1 1 5   7  30 o 56.08521 4.239827 155.1739       23.10331 149.3899       29.23212 164.7990       37.70929 54.86935 5.517653 57.46012 6.838664 -2.590771      8.787025 
1 1 1 5   7  31 f 151.0941 4.233522 1120.945       62.54997 1116.348       74.42988 1132.000       115.4090 150.6796 5.053607 151.2488 7.822030 -0.5691376     9.312523 
1 1 1 5   7  32 o 175.8033 4.545809 1518.575       78.15917 1562.399       95.92266 1432.000       134.8219 178.1614 5.507104 169.9794 8.126765 8.181961       9.816950 
1 1 1 5   7  33 o 214.4301 4.521756 2258.734       94.90716 2213.313       130.9013 2309.071       137.8025 211.7957 6.321308 216.2780 6.516798 -4.482300      9.078963 
1 1 1 5   7  34 o 77.93926 3.882183 298.9990       29.52360 279.8274       34.00468 357.7000       59.50217 75.29899 4.636115 84.71194 7.245494 -9.412949      8.601788 
1 1 1 5   7  35 o 183.9161 4.095644 1662.520       73.73067 1727.893       104.4359 1597.560       104.1067 187.0369 5.711175 179.7752 5.924288 7.261734       8.228894 
1 1 1 5   7  36 o 81.61876 3.429658 327.7676       27.33871 320.0055       35.39241 339.2506       43.04760 80.48837 4.510363 82.73026 5.344516 -2.241882      6.993370 
1 1 1 5   7  37 f 102.3079 3.406604 514.9681       34.06675 528.3870       45.67601 498.1460       51.14121 103.4283 4.522657 100.2633 5.229093 3.165031       6.913598 
1 1 1 5   7  38 o 110.4824 3.425233 600.8867       36.99683 633.7779       51.05829 564.5266       53.68319 113.2030 4.617581 106.6898 5.155809 6.513237       6.921302 
1 1 1 5   7  39 o 88.75060 3.423341 388.2556       29.68333 401.3591       40.20962 372.5628       44.00359 89.98799 4.580046 86.52735 5.219788 3.460640       6.944278 
1 1 1 5   7  40 o 136.2211 3.592420 915.2460       47.85846 937.7253       66.51748 891.1205       68.91007 137.4086 4.953669 133.8169 5.271277 3.591629       7.233616 
1 1 1 5   7  41 o 23.02884 7.475451 26.17948       19.27550 32.09786       24.23210 15.98267       31.80693 25.48256 8.388524 23.24070 9.275208 2.241863       12.50587 
1 1 1 5   7  42 o 90.19743 3.534322 402.1030       31.14334 407.3907       41.73613 395.4597       46.78099 90.44141 4.730982 88.86941 5.403413 1.572006       7.181857 
1 1 1 5   7  43 o 45.25793 4.948469 103.1507       21.56472 97.81845       27.58185 111.5361       34.58803 43.56129 6.681589 46.13508 7.945993 -2.573784      10.38183 
1 1 1 5   7  44 o 36.55110 5.863865 68.70238       20.27010 86.07088       25.63554 39.72881       33.11024 40.75370 6.655955 28.34175 9.805000 12.41195       11.85073 
1 1 1 5   7  45 o 70.13893 4.691035 246.5213       32.02064 238.0000       41.27629 259.4000       50.74396 68.30181 6.242891 70.74461 7.439178 -2.442802      9.711595 
1 1 1 5   7  46 o 57.37217 4.595760 165.5508       25.59296 178.5000       36.55480 153.1007       35.84349 58.84639 6.451929 54.25333 6.905895 4.593060       9.450861 
1 1 1 5   7  47 o 69.39872 4.512878 242.2750       30.48944 231.3241       34.33605 283.1000       66.29608 67.48951 5.238654 71.78561 9.681645 -4.296097      11.00808 
1 1 1 5   7  48 o 44.29217 6.458972 102.8328       27.17860 112.6000       49.75703 98.67947       32.44673 43.63181 11.49290 42.61815 8.073512 1.013664       14.04522 
1 1 1 5   7  49 o 52.12861 5.683700 140.2278       28.53184 169.4000       53.23629 128.4715       33.79543 54.40382 10.37560 49.10037 7.249572 5.303448       12.65738 
1 1 1 5   7  50 o 85.75330 3.456278 366.5996       28.95177 354.2353       39.30147 381.2710       42.81128 83.57216 4.824932 86.55202 5.075573 -2.979858      7.002957 
1 1 1 5   7  51 o 49.26349 4.869409 124.1436       23.17372 122.1000       35.09119 125.7242       30.86017 47.30410 7.853987 48.70724 6.646075 -1.403141      10.28861 
1 1 1 5   7  52 o 55.92999 3.982359 157.7711       21.65913 153.7033       29.12263 162.8060       32.40010 54.45973 5.540271 55.78495 6.029361 -1.325214      8.188272 
1 1 1 5   7  53 o 31.06389 6.175220 51.79527       18.11501 30.82183       24.01721 79.47222       27.58970 24.17936 8.351468 37.87307 7.704889 -13.69371      11.36276 
1 1 1 5   7  54 o 34.40680 5.749152 62.77394       18.67951 66.48345       25.17458 58.22978       27.86318 34.49826 7.655278 31.77626 8.703483 2.722000       11.59111 
1 1 1 5   7  55 o 43.78037 4.703293 98.67908       19.83955 107.2851       26.68829 88.04889       29.66134 44.86835 6.245879 39.62100 7.925216 5.247356       10.09059 
1 1 1 5   7  56 f 26.16263 7.289969 38.18614       19.36146 49.50329       23.94821 16.83000       32.89773 29.45536 8.069345 22.32735 9.236089 7.128010       12.26457 
1 1 1 5   7  57 o 59.97394 3.975923 182.2532       23.20855 206.1527       31.97903 155.6570       33.73501 63.03738 5.229788 53.87825 6.529885 9.159138       8.366008 
1 1 1 5   7  58 o 29.89962 7.780568 50.78459       22.98659 54.49141       25.82732 36.66000       50.41584 30.71733 8.365661 27.83320 11.46581 2.884127       14.19327 
1 1 1 5   7  59 o 33.10161 6.342714 59.61131       19.80304 77.54046       27.24084 39.51690       28.83888 37.02966 7.764114 26.43551 9.150469 10.59415       12.00052 
1 1 1 5   7  60 o 29.67888 6.784526 49.00541       19.27854 33.84149       26.84331 65.15854       27.70505 24.79818 8.809384 33.35620 8.470963 -8.558027      12.22139 
1 1 1 5   7  61 o 38.97618 6.022276 82.05872       22.23578 102.1000       34.65413 68.03281       28.99065 41.52794 8.799148 33.76485 8.713382 7.763088       12.38338 
1 1 1 5   7  62 o 26.80470 7.589571 41.65731       20.80988 56.89000       32.35608 30.91140       27.17623 30.16788 9.675924 23.79656 8.804351 6.371325       13.08205 
1 1 1 5   8  0  o 226.4016 4.536408 2510.711       100.5305 2531.004       143.1689 2490.974       141.1948 227.1275 6.446327 225.3261 6.408294 1.801453       9.089630 
1 1 1 5   8  1  o 424.3838 7.992478 8836.824       332.0064 8947.639       473.7113 8729.840       465.4535 426.3362 11.36168 421.1245 11.30192 5.211609       16.02564 
1 1 1 5   8  2  o 301.8338 5.833406 4464.553       172.3440 4661.356       250.5880 4287.907       237.4082 308.0962 8.316971 295.4998 8.215879 12.59641       11.69071 
1 1 1 5   8  3  o 348.8114 6.649302 5964.207       227.0246 6079.512       325.2166 5854.612       317.0612 351.7541 9.454123 345.1907 9.392509 6.563385       13.32665 
1 1 1 5   8  4  o 270.1157 5.286344 3574.222       139.7692 3472.322       193.9354 3684.351       201.6151 266.0107 7.455561 274.0117 7.524179 -8.000916      10.59239 
1 1 1 5   8  5  o 283.7531 6.399264 3945.473       177.7366 4235.964       227.9507 3495.000       283.8632 293.8087 7.933554 266.5272 10.90383 27.28149       13.48462 
1 1 1 5   8  6  f 722.6743 15.51106 25730.72       1097.212 24860.00       1853.158 26200.71       1361.504 705.1825 26.89686 727.7449 19.12980 -22.56244      33.00591 
1 1 1 5   8  7  o 413.8928 9.011902 8401.272       365.0988 8009.000       610.0065 8620.228       455.7409 403.0139 15.49237 418.8799 11.12518 -15.86609      19.07310 
1 1 1 5   8  8  o 91.31918 2.779647 408.5847       24.81716 408.6000       47.38922 408.5789       29.13119 91.18521 5.332717 91.29930 3.265008 -0.1140900     6.252851 
1 1 1 5   8  9  o 639.3704 11.88165 20072.79       743.5931 18580.00       1405.793 20652.71       876.2035 611.7825 23.51948 648.1676 13.81056 -36.38507      27.27449 
1 1 1 5   8  10 o 266.5692 6.017866 3480.689       157.0214 3500.000       271.9030 3471.026       192.3344 266.8787 10.42871 266.0392 7.393099 0.8395691      12.78343 
1 1 1 5   8  11 o 427.3172 9.285426 8955.264       388.3814 8377.000       640.9440 9290.786       488.2223 412.1617 15.91708 434.8605 11.47999 -22.69879      19.62507 
1 1 1 5   8  12 o 142.2059 3.317169 989.9904       46.17337 878.6000       83.67989 1038.751       55.36469 133.7639 6.409759 145.6067 3.888071 -11.84279      7.496807 
1 1 1 5   8  13 o 561.4789 10.46936 15473.09       575.3867 14790.00       1111.782 15722.98       672.4464 546.2742 20.83048 565.7175 12.14372 -19.44330      24.11180 
1 1 1 5   8  14 o 333.8978 6.414740 5462.534       209.6519 5379.000       411.2990 5491.857       243.6866 330.5442 12.73607 334.7276 7.437619 -4.183472      14.74875 
1 1 1 5   8  15 o 176.6556 4.510947 1529.234       77.93739 1420.000       122.8783 1602.755       100.8094 170.0385 7.400536 180.7890 5.703833 -10.75050      9.343534 
1 1 1 5   8  16 o 638.9050 13.76531 20101.75       860.8516 0.000000       0.000000 20101.75       860.8516 ?        ?        638.9050 13.76531 ?              ?        
1 1 1 5   8  17 o 565.8625 10.56777 15736.74       585.3300 15650.00       1162.927 15766.17       677.3889 560.3759 21.23996 565.9915 12.22706 -5.615662      24.50789 
1 1 1 5   8  18 o 178.7236 4.484492 1565.617       78.38956 1533.000       129.5909 1584.438       98.44210 176.6122 7.513476 179.7209 5.602822 -3.108719      9.372510 
1 1 1 5   8  19 o 145.2656 3.476431 1033.368       49.43137 1035.033       66.59792 1031.326       73.76289 145.2724 4.689651 144.9763 5.206433 0.2960968      7.007123 
1 1 1 5   8  20 o 509.0891 9.557066 12748.14       476.2386 13031.26       682.8088 12479.94       664.5679 513.2184 13.60423 502.2665 13.52990 10.95197       19.18680 
1 1 1 5   8  21 o 226.0135 4.619493 2503.364       102.1963 2527.967       143.0961 2477.752       146.0024 226.8871 6.449897 224.5967 6.648577 2.290466       9.263085 
1 1 1 5   8  22 o 147.4374 4.014092 1065.847       57.87580 1073.835       69.06057 1047.000       106.0768 147.9328 4.775612 145.7954 7.457891 2.137390       8.855880 
1 1 1 5   8  23 o 272.3073 5.381351 3636.913       143.4356 3646.149       201.3998 3627.407       204.3289 272.2626 7.564599 271.5377 7.695409 0.7249146      10.79085 
1 1 1 5   8  24 o 161.3261 4.337205 1276.656       68.42686 1321.000       116.4454 1253.267       84.56848 163.7718 7.282234 159.7383 5.416540 4.033463       9.075783 
1 1 1 5   8  25 f 211.4988 4.414322 2193.051       91.38570 2042.802       121.9611 2385.408       137.9972 203.8711 6.118589 220.2753 6.407078 -16.40417      8.859333 
1 1 1 5   8  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   8  27 o 283.0424 7.934165 3949.052       219.5990 3757.000       297.7848 4178.000       325.1341 275.1334 11.08006 290.0176 11.47599 -14.88419      15.95199 
1 1 1 5   8  28 o 135.7431 4.992865 905.4642       66.22673 944.7000       92.33776 863.9000       95.03809 138.4161 6.836478 132.2676 7.369848 6.148453       10.05247 
1 1 1 5   8  29 o 97.21880 4.121589 464.3358       39.13223 417.3000       62.22127 495.1147       50.33281 91.81261 6.975784 100.2916 5.144390 -8.478996      8.667543 
1 1 1 5   8  30 o 129.7698 5.152696 828.3394       65.32057 844.0000       89.86938 810.8000       95.10750 130.7092 7.050337 128.0032 7.625363 2.705948       10.38525 
1 1 1 5   8  31 o 187.9357 5.906255 1739.204       108.5146 1768.000       151.6647 1709.000       155.3264 188.9504 8.219983 185.6704 8.569772 3.279984       11.87473 
1 1 1 5   8  32 o 318.8529 6.231072 5008.096       194.4730 5197.679       280.5416 4832.722       269.8242 323.6471 8.863974 312.0800 8.841923 11.56708       12.51997 
1 1 1 5   8  33 o 164.7527 3.832048 1332.227       61.79731 1295.458       83.89523 1375.841       91.37186 162.1693 5.292300 167.0672 5.595363 -4.897903      7.701723 
1 1 1 5   8  34 o 99.95338 3.379001 490.8041       33.01165 491.8357       44.27597 489.5127       49.53677 99.90770 4.539406 99.58300 5.098995 0.3246994      6.826855 
1 1 1 5   8  35 o 92.42870 3.754192 420.4049       33.89416 432.9054       40.24406 389.9000       62.86691 93.70043 4.400162 88.31731 7.338510 5.383125       8.556585 
1 1 1 5   8  36 o 134.5692 4.042813 891.7925       53.19157 911.4211       63.87778 847.4000       96.06365 135.8694 4.810695 130.1642 7.572526 5.705215       8.971395 
1 1 1 5   8  37 o 87.24738 3.398083 374.7481       28.96419 350.4937       37.53519 410.4479       45.53817 84.16913 4.573134 90.98090 5.134346 -6.811768      6.875686 
1 1 1 5   8  38 o 76.24348 3.546439 286.6730       26.39429 279.5505       34.38140 296.8948       41.18828 75.07211 4.702465 77.19271 5.486956 -2.120598      7.226331 
1 1 1 5   8  39 o 74.71090 3.615759 275.6455       26.36321 288.8336       35.03030 258.4196       40.03540 76.24567 4.716872 71.84050 5.741099 4.405174       7.430283 
1 1 1 5   8  40 o 79.41576 3.592626 311.5595       27.85472 338.5898       37.37767 277.7986       41.77280 82.54394 4.644902 74.42336 5.779541 8.120583       7.414729 
1 1 1 5   8  41 o 112.3361 3.497365 622.9824       38.40938 611.8730       51.78220 636.5712       57.26949 110.9147 4.780864 112.9736 5.192817 -2.058990      7.058471 
1 1 1 5   8  42 o 22.61980 7.549280 24.88625       19.60776 34.26496       24.25809 7.210099       33.30268 26.03308 8.380762 21.98367 9.208872 4.049414       12.45153 
1 1 1 5   8  43 o 61.97629 4.116968 191.1673       24.83363 199.0188       31.78639 178.8673       39.78485 62.93381 5.206563 59.00933 7.025769 3.924484       8.744697 
1 1 1 5   8  44 o 18.69997 7.414116 10.59398       20.19412 17.11234       23.52161 -7.680000      39.38352 21.22498 8.117087 21.39601 9.480666 -0.1710281     12.48079 
1 1 1 5   8  45 o 85.59786 3.541281 363.3931       29.60674 369.5114       39.43663 355.4911       44.81828 85.88449 4.709165 83.88972 5.488221 1.994774       7.231653 
1 1 1 5   8  46 o 50.94542 5.378822 132.2409       26.41801 139.7029       29.30596 99.88000       61.02952 52.20039 5.835274 41.04361 13.29994 11.15679       14.52374 
1 1 1 5   8  47 o 25.79986 7.661540 35.64222       20.75193 36.10000       28.64979 35.13694       30.09915 26.48300 9.122527 26.40450 9.333314 0.7849693E-01  13.05110 
1 1 1 5   8  48 o 27.71284 7.357570 41.63794       20.28984 33.53000       27.90536 50.73213       29.55389 25.67781 8.994116 30.25168 9.179894 -4.573875      12.85164 
1 1 1 5   8  49 o 26.68602 7.043049 38.56320       18.66251 35.93737       24.20230 42.41454       29.31095 25.91426 8.373654 27.95763 9.226855 -2.043367      12.46005 
1 1 1 5   8  50 o 32.42150 8.824302 59.21706       28.74733 0.000000       0.000000 59.21706       28.74733 ?        ?        32.42150 8.824302 ?              ?        
1 1 1 5   8  51 o 36.57987 5.441603 69.75777       18.89144 70.86430       25.08987 68.30920       28.70704 36.02916 7.363301 34.83213 8.496721 1.197029       11.24333 
1 1 1 5   8  52 o 36.27919 5.449354 68.78982       18.75376 66.24533       24.78668 72.19669       28.68115 34.66872 7.520958 35.81881 8.337266 -1.150097      11.22830 
1 1 1 5   8  53 o 39.78049 5.029347 81.99385       19.14646 64.57266       25.55465 104.2885       28.90890 33.94798 7.847484 43.92345 6.955440 -9.975475      10.48624 
1 1 1 5   8  54 o 22.68036 7.110328 27.80494       17.55888 21.14709       23.34018 36.48634       26.65212 21.44984 8.113334 25.76827 8.801232 -4.318434      11.97029 
1 1 1 5   8  55 o 15.57782 6.701488 1.429671       18.45577 0.5372470E-01  22.47827 4.276000       32.32993 16.72637 7.294507 20.22907 8.785968 -3.502699      11.41942 
1 1 1 5   8  56 o 65.96857 3.730972 219.4008       23.99337 243.4165       32.77572 191.6705       35.21943 68.78225 4.900309 60.22630 6.056480 8.555946       7.790634 
1 1 1 5   8  57 o 21.31358 7.785218 22.33880       21.13830 18.26542       23.66750 38.40000       46.99634 20.74109 8.085601 27.78918 11.21080 -7.048084      13.82241 
1 1 1 5   8  58 o 63.72412 3.908725 205.6148       24.26334 231.1812       33.70756 178.1235       34.95342 66.74539 5.200423 57.79502 6.279456 8.950367       8.153279 
1 1 1 5   8  59 o 20.24191 7.280354 20.31635       18.39194 31.78284       25.51645 7.917448       26.53363 24.26803 8.592047 19.21887 8.144290 5.049158       11.83861 
1 1 1 5   8  60 o 42.12110 5.105846 92.93985       20.62177 90.21586       28.87218 95.77666       29.46399 39.94690 7.662641 41.24764 7.576830 -1.300743      10.77610 
1 1 1 5   8  61 o 40.62826 5.254109 87.26344       20.40578 114.0940       29.32943 62.09073       28.40886 45.48639 6.795466 32.13764 8.782559 13.34875       11.10458 
1 1 1 5   9  0  o 350.8461 6.688083 6032.488       229.6807 6028.551       325.0240 6036.415       324.6116 350.3650 9.486112 350.5960 9.467791 -0.2309570     13.40244 
1 1 1 5   9  1  o 840.2862 18.07632 34893.28       1486.769 33970.23       1786.895 36970.00       2680.241 826.8459 22.09824 855.5743 32.06114 -28.72833      38.93904 
1 1 1 5   9  2  o 612.6533 13.19319 18462.57       791.1719 17971.65       950.4943 19570.00       1427.577 603.5013 16.10473 627.0206 23.30063 -23.51929      28.32457 
1 1 1 5   9  3  o 474.6146 8.895020 11048.74       413.2323 11373.33       596.6276 10749.46       572.8922 480.8252 12.68790 467.4722 12.53149 13.35300       17.83315 
1 1 1 5   9  4  o 562.5340 10.49866 15532.15       578.0811 16213.34       841.3809 14923.07       795.5991 573.6826 14.99641 550.4185 14.78047 23.26410       21.05599 
1 1 1 5   9  5  o 347.4811 7.649005 5917.999       260.1611 5755.000       441.1261 6004.930       322.1514 341.9158 13.20549 349.7661 9.418279 -7.850250      16.22002 
1 1 1 5   9  6  o 758.0243 16.25677 28299.58       1206.212 28880.00       2118.833 28021.29       1467.157 760.3083 28.52143 752.8448 19.92723 7.463501       34.79319 
1 1 1 5   9  7  o 324.7865 7.209447 5168.946       229.1956 5310.000       401.7794 5100.902       279.0536 328.5496 12.51629 322.4214 8.850517 6.128235       15.32935 
1 1 1 5   9  8  o 894.3235 16.57802 39396.00       1451.221 37360.00       2790.009 40151.17       1699.172 862.1111 33.12416 901.8508 19.24847 -39.73975      38.31075 
1 1 1 5   9  9  o 425.3561 9.251686 8872.892       385.1942 8204.000       630.0966 9272.038       486.7380 407.9132 15.81089 434.4333 11.45632 -26.52011      19.52515 
1 1 1 5   9  10 o 347.4624 7.652081 5917.157       260.2517 5675.000       436.2246 6050.980       324.2855 339.5535 13.14975 351.1122 9.444306 -11.55869      16.18984 
1 1 1 5   9  11 o 157.0395 3.521064 1207.340       54.12388 1120.000       101.2795 1242.254       64.03442 151.0309 6.868913 159.2319 4.111884 -8.201004      8.005595 
1 1 1 5   9  12 o 98.26006 3.342174 473.2156       32.09813 529.4000       54.75725 443.8028       39.61882 103.8248 5.406714 95.10808 4.266630 8.716682       6.887430 
1 1 1 5   9  13 o 188.9627 4.672441 1748.601       86.42237 1699.000       141.8448 1777.884       108.9871 185.9998 7.808397 190.4159 5.854393 -4.416153      9.759355 
1 1 1 5   9  14 o 231.0743 5.452052 2615.535       123.3155 0.000000       0.000000 2615.535       123.3155 ?        ?        231.0743 5.452052 ?              ?        
1 1 1 5   9  15 o 378.7475 7.201997 7032.467       266.9985 6685.000       512.5225 7161.889       312.7958 368.0994 14.25158 382.1046 8.363199 -14.00519      16.52424 
1 1 1 5   9  16 f 198.7508 4.191530 1934.533       81.54318 2012.000       161.5969 1908.068       94.44994 202.3432 8.175862 197.3636 4.889095 4.979584       9.526173 
1 1 1 5   9  17 f 85.53333 3.899697 359.0240       32.56330 392.5000       44.35832 319.9000       47.95456 89.36028 5.092441 80.55297 6.127923 8.807312       7.967709 
1 1 1 5   9  18 f 266.0670 5.269618 3469.178       137.2386 3434.000       268.3147 3481.642       159.7111 264.0134 10.40311 266.4836 6.122919 -2.470184      12.07124 
1 1 1 5   9  19 o 173.5601 3.842580 1475.429       65.27982 1491.000       124.5850 1469.535       76.64363 174.1402 7.325406 173.1277 4.526641 1.012512       8.611158 
1 1 1 5   9  20 o 188.4730 4.613017 1740.735       85.10211 1638.645       98.72413 2036.000       167.8955 182.7287 5.525985 203.3506 8.453479 -20.62196      10.09940 
1 1 1 5   9  21 o 288.8003 6.522401 4093.680       184.3789 4279.094       231.1045 3769.000       305.8198 294.9464 8.012380 276.0877 11.34064 18.85870       13.88555 
1 1 1 5   9  22 o 194.0459 4.124793 1845.115       78.34527 1828.659       107.5005 1863.756       114.4165 192.9868 5.697081 194.7965 6.007874 -1.809784      8.279571 
1 1 1 5   9  23 o 57.31900 3.418152 161.5155       19.09059 157.1478       22.58475 172.4467       35.72921 56.47811 4.113549 58.93514 6.290746 -2.457035      7.516300 
1 1 1 5   9  24 o 125.1789 3.291400 768.1514       40.29406 774.7089       53.71282 759.7112       60.93724 125.6343 4.374482 124.3543 5.016584 1.280037       6.655991 
1 1 1 5   9  25 o 148.0320 3.543214 1073.734       51.34038 1085.754       70.02556 1059.762       75.49508 148.7069 4.817178 146.8687 5.259991 1.838150       7.132511 
1 1 1 5   9  26 o 80.28309 4.357620 316.9672       34.11526 289.6000       41.52459 373.8000       59.83968 76.60456 5.576073 86.89129 7.097471 -10.28673      9.025889 
1 1 1 5   9  27 o 225.3170 6.572688 2498.080       144.8034 2520.000       202.1927 2475.000       207.4754 225.7323 9.170028 223.6192 9.500401 2.113052       13.20405 
1 1 1 5   9  28 o 116.7216 4.674652 669.5002       53.30003 654.4000       68.25412 693.1000       85.32798 115.2333 6.072679 118.4076 7.399151 -3.174232      9.572087 
1 1 1 5   9  29 o 364.9537 10.00994 6606.200       357.2443 6191.000       480.3704 7120.000       534.3727 351.0634 14.00739 376.1466 14.54118 -25.08325      20.19042 
1 1 1 5   9  30 o 137.2320 4.045776 924.5612       54.28615 895.9297       63.53405 1002.000       104.4874 135.0007 4.815713 142.3394 7.526258 -7.338684      8.935080 
1 1 1 5   9  31 o 100.8341 3.998513 499.6363       39.38676 508.6000       64.62843 494.3400       49.67828 101.3946 6.546815 100.1721 5.083178 1.222443       8.288515 
1 1 1 5   9  32 o 61.48085 4.986421 187.0198       29.75051 156.0000       47.88097 206.5263       37.96941 55.34427 9.158664 64.46585 6.089408 -9.121578      10.99827 
1 1 1 5   9  33 o 186.8802 4.111217 1715.323       75.20383 1740.974       105.3203 1688.640       107.4193 187.8721 5.733926 184.9713 5.940670 2.900803       8.256480 
1 1 1 5   9  34 o 117.3205 3.368186 676.0737       38.63905 650.0046       51.03865 711.0751       59.13977 114.8626 4.548559 120.0561 5.043797 -5.193535      6.791854 
1 1 1 5   9  35 o 59.50447 3.800466 174.7294       22.01996 194.8348       28.00646 142.1778       35.63598 62.73518 4.592619 53.07134 7.032923 9.663845       8.399652 
1 1 1 5   9  36 o 132.9423 3.537337 869.3547       45.98963 913.0527       63.52347 821.2222       66.66879 135.9642 4.780570 128.8014 5.299372 7.162842       7.137030 
1 1 1 5   9  37 o 88.92705 3.846954 390.0703       33.40632 362.9857       37.95903 483.1000       70.35012 85.64449 4.544298 98.01277 7.387278 -12.36828      8.673091 
1 1 1 5   9  38 o 100.2137 3.382441 494.6916       33.13147 507.9327       44.39978 478.0547       49.76842 101.3014 4.488892 98.08096 5.202586 3.220398       6.871467 
1 1 1 5   9  39 o 43.21288 4.931471 93.73969       20.48616 84.21811       25.59841 110.7011       34.16565 40.49974 6.690783 46.22460 7.830345 -5.724861      10.29956 
1 1 1 5   9  40 o 31.50599 6.505227 51.52755       19.39655 66.74007       24.18449 24.09896       32.47418 35.79948 7.152062 25.03301 9.546288 10.76648       11.92827 
1 1 1 5   9  41 f 36.15382 5.958435 67.05168       20.35201 67.84290       25.38713 65.62865       34.04647 35.96978 7.455660 34.99012 9.635659 0.9796600      12.18330 
1 1 1 5   9  42 o 35.77522 6.490312 66.31707       21.89088 54.39735       25.21465 102.8000       44.11281 32.00762 8.055445 43.37292 10.50348 -11.36530      13.23682 
1 1 1 5   9  43 o 75.92085 4.055521 286.4846       30.02861 265.4641       35.08952 344.0000       58.04270 72.79852 4.953860 81.86404 7.320677 -9.065529      8.839290 
1 1 1 5   9  44 o 104.2580 3.502812 538.0807       35.69564 539.7026       47.53140 535.9828       54.05870 103.9534 4.683303 103.2713 5.366266 0.6821671      7.122509 
1 1 1 5   9  45 o 127.2867 4.159932 807.1210       51.75970 806.8970       60.95433 807.7000       98.00321 126.8269 4.919391 124.3437 8.096143 2.483154       9.473539 
1 1 1 5   9  46 o 23.74771 7.374427 29.43335       18.93529 31.04398       23.72440 26.60673       31.42904 24.70701 8.304879 24.79119 9.406216 -0.8417892E-01 12.54782 
1 1 1 5   9  47 o 31.54973 6.327721 52.73054       18.86055 45.31333       24.13645 64.36147       30.22459 28.80362 8.179845 33.98016 8.960648 -5.176540      12.13273 
1 1 1 5   9  48 o 80.16673 3.509766 320.2730       27.47418 328.2715       36.96148 310.3968       41.07141 80.59330 4.705846 77.96322 5.415665 2.630081       7.174567 
1 1 1 5   9  49 o 62.78444 4.289805 198.7896       26.20468 180.8000       37.71751 215.5756       36.43383 58.64455 6.690189 64.61150 5.823306 -5.966953      8.869584 
1 1 1 5   9  50 o 24.68605 7.378698 32.90163       19.19909 34.76000       27.13021 31.03739       27.17306 25.72812 8.876677 24.79098 8.857266 0.9371395      12.53980 
1 1 1 5   9  51 o 31.75463 7.750250 55.92317       23.87466 44.70000       42.97012 60.93496       28.71474 29.19051 11.01584 32.75081 8.779015 -3.560295      14.08616 
1 1 1 5   9  52 o 63.87779 4.651208 207.8316       28.88257 127.0000       48.75656 251.5322       35.84974 45.80792 11.01065 69.92091 5.277037 -24.11299      12.20990 
1 1 1 5   9  53 o 13.38269 6.019123 -5.889555      16.51047 -1.031723      21.53429 -12.81795      25.71732 16.23712 7.109116 15.88996 7.288275 0.3471642      10.18128 
1 1 1 5   9  54 o 51.11706 4.654202 134.0932       23.03209 148.8361       28.23932 104.8000       39.80584 53.41214 5.479006 41.90349 9.868856 11.50865       11.28777 
1 1 1 5   9  55 o 41.81184 4.932873 90.55070       19.80039 78.58788       26.20207 106.4767       30.23234 37.68930 7.366674 44.08240 7.258928 -6.393101      10.34214 
1 1 1 5   9  56 o 38.85437 6.149704 80.84521       22.61069 78.93837       25.37660 88.19000       49.80414 37.86224 7.108307 36.73575 12.02243 1.126495       13.96663 
1 1 1 5   9  57 o 77.78751 3.580787 304.3378       27.19118 280.9858       36.48920 333.4975       40.77503 73.73476 5.086930 80.24409 5.219612 -6.509338      7.288429 
1 1 1 5   9  58 o 53.90558 4.259051 148.3814       22.29010 140.5245       30.58294 157.2843       32.55536 51.27924 6.220020 54.26484 6.242716 -2.985592      8.812500 
1 1 1 5   9  59 o 18.21036 7.092048 13.33561       18.19410 16.47258       25.22537 9.934250       26.26689 20.57695 8.243853 19.50673 8.175357 1.070221       11.61024 
1 1 1 5   9  60 o 68.69901 3.796032 239.2067       25.42699 259.4077       36.08094 219.2762       35.83867 70.45002 5.270473 64.35896 5.749497 6.091057       7.799654 
1 1 1 5   9  61 o 41.89219 5.174495 92.65073       20.76759 76.69595       29.41876 108.4998       29.32109 35.93514 8.498071 44.11888 7.025026 -8.183739      11.02580 
1 1 1 5   10 0  o 301.7369 5.836414 4459.624       172.3775 4498.706       245.6100 4421.685       241.9877 302.8134 8.294186 300.2127 8.242697 2.600769       11.69340 
1 1 1 5   10 1  f 573.8714 10.71215 16163.19       601.7240 17302.90       892.1720 15212.14       814.9886 592.6779 15.39187 555.7852 14.99461 36.89270       21.48833 
1 1 1 5   10 2  o 393.5643 7.455360 7590.868       287.2040 7792.632       413.2865 7402.430       399.4047 398.3463 10.60892 388.2490 10.51955 10.09729       14.94021 
1 1 1 5   10 3  o 628.3246 11.68132 19384.38       718.4266 19889.42       1034.952 18914.71       998.0690 635.1811 16.66063 619.4606 16.47504 15.72052       23.43082 
1 1 1 5   10 4  o 895.4051 19.22843 39581.64       1685.270 41750.00       3027.614 38608.18       2028.592 910.6550 34.02553 882.1348 23.51479 28.52026       41.36039 
1 1 1 5   10 5  o 525.0554 13.91633 13562.93       714.5836 12570.00       956.0165 14820.00       1075.682 504.2076 19.40714 547.3353 20.11237 -43.12778      27.94896 
1 1 1 5   10 6  o 275.8033 7.670296 3730.881       206.8692 0.000000       0.000000 3730.881       206.8692 ?        ?        275.8033 7.670296 ?              ?        
1 1 1 5   10 7  o 277.7628 6.280016 3779.488       170.7423 3875.000       298.3619 3732.978       208.2049 280.7779 10.87668 275.8748 7.717911 4.903168       13.33673 
1 1 1 5   10 8  o 280.3873 6.305707 3851.357       173.0607 3420.000       276.6464 4128.691       221.8240 263.7601 10.73788 290.1267 7.818267 -26.36661      13.28260 
1 1 1 5   10 9  f 242.2679 5.559195 2874.773       131.8299 2954.000       231.3210 2836.664       160.4328 245.2038 9.656766 240.5134 6.821609 4.690460       11.82318 
1 1 1 5   10 10 o 145.4900 3.370192 1036.262       47.99478 925.4000       88.59583 1082.310       57.09896 137.2717 6.613106 148.6278 3.928284 -11.35612      7.691852 
1 1 1 5   10 11 o 528.1309 9.865621 13686.47       510.0024 13040.00       983.4777 13924.27       596.4697 513.1753 19.61521 532.4595 11.44447 -19.28418      22.70974 
1 1 1 5   10 12 o 130.0880 3.846461 829.2983       48.92463 762.3000       75.65060 877.4658       64.14420 124.5801 6.223504 133.7637 4.907382 -9.183601      7.925553 
1 1 1 5   10 13 o 450.9481 9.807549 9981.230       432.9057 0.000000       0.000000 9981.230       432.9057 ?        ?        450.9481 9.807549 ?              ?        
1 1 1 5   10 14 o 128.1642 3.250325 804.7118       40.74266 800.0000       75.98453 806.6131       48.26798 127.6283 6.100016 128.2902 3.848138 -0.6618881     7.212375 
1 1 1 5   10 15 o 85.32408 3.292720 356.9770       27.44838 374.4000       44.33661 346.1492       34.95185 87.26474 5.214379 83.96294 4.266803 3.301804       6.737607 
1 1 1 5   10 16 o 189.1524 4.043561 1752.255       74.86555 1629.000       138.7591 1802.867       88.91792 182.0429 7.805338 191.8403 4.735253 -9.797470      9.129399 
1 1 1 5   10 17 o 171.9028 3.820263 1447.235       64.28098 1490.000       124.2576 1431.609       75.11288 174.1139 7.307180 170.8909 4.494345 3.223007       8.578695 
1 1 1 5   10 18 o 321.7104 6.216508 5075.640       195.7572 5146.000       391.2117 5052.138       226.0993 322.7225 12.40755 320.8535 7.199234 1.869049       14.34491 
1 1 1 5   10 19 o 141.5285 3.443692 981.0026       47.70617 949.6000       86.46077 994.7476       57.20173 138.9814 6.372554 142.4364 4.107104 -3.455002      7.581409 
1 1 1 5   10 20 o 161.5944 3.655512 1279.126       57.82037 1278.663       78.25084 1279.683       85.81189 161.4295 4.958096 161.4520 5.437734 -0.2250671E-01 7.358781 
1 1 1 5   10 21 o 126.9275 3.669022 789.8926       45.53615 795.4641       53.57875 775.4000       86.41343 127.3318 4.305012 125.4498 7.065846 1.882042       8.274014 
1 1 1 5   10 22 o 116.6665 3.568671 667.4251       40.70501 678.4911       47.79411 638.2000       77.67072 117.5905 4.158916 113.7632 7.009114 3.827324       8.150108 
1 1 1 5   10 23 o 170.6545 3.796021 1427.072       63.40923 1446.370       87.26250 1405.483       92.29756 171.6338 5.200197 169.1466 5.582338 2.487259       7.629191 
1 1 1 5   10 24 o 80.01009 4.049809 314.5771       31.61337 333.7000       48.02045 299.9498       41.99838 82.21967 6.008316 77.98149 5.538218 4.238174       8.171397 
1 1 1 5   10 25 o 112.1071 3.572125 616.4861       39.14817 576.5004       44.37356 756.9000       83.15282 108.3593 4.191522 123.8848 6.884365 -15.52554      8.059983 
1 1 1 5   10 26 o 212.3232 5.089444 2212.269       105.7728 2232.926       128.5654 2169.000       186.0714 213.0898 6.170393 209.4284 9.098615 3.661362       10.99357 
1 1 1 5   10 27 o 165.0494 4.485135 1337.180       72.39240 1529.000       129.2756 1249.549       87.37738 176.0441 7.519528 159.4106 5.608578 16.63348       9.380802 
1 1 1 5   10 28 o 148.5588 4.139457 1083.202       60.13461 1099.982       71.86155 1044.000       109.8368 149.6195 4.913508 145.3233 7.749609 4.296173       9.176002 
1 1 1 5   10 29 o 211.3500 6.313977 2199.618       130.4741 2264.000       182.9629 2133.000       186.1139 213.8226 8.760400 207.4118 9.190069 6.410828       12.69653 
1 1 1 5   10 30 o 189.5779 4.790930 1766.070       88.83123 1773.000       148.9561 1762.244       110.6630 189.2541 8.059390 189.1588 5.984343 0.9532166E-01  10.03823 
1 1 1 5   10 31 o 173.9437 3.923900 1484.623       66.80869 1545.422       93.96456 1422.467       95.00761 177.1799 5.424445 169.9225 5.720327 7.257355       7.883321 
1 1 1 5   10 32 o 125.7255 3.411966 775.9244       41.95006 778.4308       56.45150 772.8334       62.69047 125.7767 4.593026 125.2406 5.124701 0.5361404      6.881748 
1 1 1 5   10 33 o 154.4726 5.334789 1176.836       80.54204 1229.000       113.5410 1124.000       114.2698 157.3144 7.394264 150.3075 7.793463 7.006882       10.74305 
1 1 1 5   10 34 o 95.65843 4.107980 450.6949       38.37465 494.8000       64.21569 426.1952       47.86052 99.75072 6.614222 92.82137 5.289625 6.929352       8.469242 
1 1 1 5   10 35 f 87.51582 3.385931 376.7792       28.95015 373.0487       37.53281 382.2585       45.48789 86.92264 4.425924 87.82317 5.316419 -0.9005356     6.917594 
1 1 1 5   10 36 o 128.1750 3.466259 808.2498       43.44819 778.5934       58.02869 846.0873       65.54578 125.5175 4.731627 130.7419 5.131780 -5.224419      6.980218 
1 1 1 5   10 37 o 38.96528 5.108001 76.37468       19.01340 74.50353       23.27721 80.12601       32.95866 38.17887 6.458856 39.08186 8.825112 -0.9029922     10.93615 
1 1 1 5   10 38 o 83.92344 3.985465 348.2053       32.64569 373.7187       37.88341 274.6000       64.34567 86.83907 4.471909 72.86491 9.228504 13.97415       10.25491 
1 1 1 5   10 39 o 18.38981 7.005484 12.21283       17.47644 -10.05280      21.01119 62.20036       31.48212 15.00165 6.764936 34.24849 9.197560 -19.24683      11.41751 
1 1 1 5   10 40 o 85.04446 3.507464 357.2703       29.13482 365.1643       38.07775 346.1223       45.25000 85.71108 4.555021 83.11417 5.594674 2.596916       7.214471 
1 1 1 5   10 41 o 45.58509 5.037548 104.6429       22.10298 109.3137       25.18202 88.97000       46.12874 46.43791 5.656594 40.26859 11.26405 6.169319       12.60460 
1 1 1 5   10 42 o 22.26015 7.516921 23.89009       19.43554 31.88486       21.93325 -5.337000      41.93653 25.05636 7.958891 22.47360 9.877726 2.582760       12.68516 
1 1 1 5   10 43 o 28.28516 7.005285 42.23984       19.29281 36.18839       23.28829 55.47914       34.44612 26.41557 8.174189 32.21864 9.936446 -5.803068      12.86664 
1 1 1 5   10 44 o 22.28341 7.806875 23.39144       21.02520 25.57390       22.85273 11.36000       53.65660 23.21994 8.138790 26.99082 11.51472 -3.770884      14.10066 
1 1 1 5   10 45 o 62.82620 3.978967 197.0606       24.34335 204.8692       31.55155 185.5756       38.26498 63.66531 5.105815 59.92400 6.634722 3.741310       8.371910 
1 1 1 5   10 46 o 46.20783 4.745694 108.2849       21.15979 115.5233       26.51558 95.59247       35.11187 47.33006 5.847689 41.65976 8.882010 5.670292       10.63417 
1 1 1 5   10 47 o 41.67163 4.854823 88.59480       19.43207 90.59922       24.73616 85.36405       31.40442 41.60626 6.268341 39.41666 8.396902 2.189602       10.47855 
1 1 1 5   10 48 o 50.43640 4.824560 129.5251       23.52817 155.0000       33.80963 105.6033       32.76277 54.41642 6.474314 44.09859 7.879325 10.31783       10.19806 
1 1 1 5   10 49 o 38.98331 5.084020 78.26679       18.93781 76.29475       24.42246 81.24074       29.99151 37.75063 6.862044 38.32068 8.240737 -0.5700531     10.72368 
1 1 1 5   10 50 o 58.68324 4.350792 174.2651       24.81351 209.1000       37.24552 146.4651       33.27278 63.36092 6.079986 52.65812 6.599888 10.70280       8.973558 
1 1 1 5   10 51 o 79.92989 3.924786 321.2175       30.61269 361.0000       47.71235 293.3815       39.91060 83.39688 5.882613 75.46193 5.439744 7.934952       8.012238 
1 1 1 5   10 52 o 44.14749 5.120297 100.8197       21.71636 132.5000       31.50419 72.13859       29.97590 49.85123 6.619806 35.52242 8.693068 14.32881       10.92663 
1 1 1 5   10 53 o 69.35487 5.178021 248.2229       34.89806 242.2000       52.78404 252.9000       46.51490 65.88864 8.373242 68.56098 7.030694 -2.672340      10.93352 
1 1 1 5   10 54 o 34.24620 8.413947 67.34698       27.99843 50.48000       43.99286 78.83000       36.29875 29.72695 11.16170 36.16239 9.945642 -6.435442      14.94990 
1 1 1 5   10 55 o 64.37907 5.168794 214.5776       32.29820 214.5776       32.29820 0.000000       0.000000 64.37907 5.168794 ?        ?        ?              ?        
1 1 1 5   10 56 f 37.86977 5.316387 75.31606       19.16481 76.57033       25.84695 73.78442       28.56227 37.09711 7.377859 35.85295 8.302474 1.244164       11.10693 
1 1 1 5   10 57 o 64.36290 3.853048 209.4849       24.16315 207.1908       32.95292 212.1528       35.53689 63.05412 5.390841 63.52663 5.778176 -0.4725037     7.902436 
1 1 1 5   10 58 o 33.85815 6.138762 61.96761       19.59570 55.20169       26.31734 70.38614       29.35600 30.77617 8.470204 34.66933 8.673040 -3.893160      12.12295 
1 1 1 5   10 59 o 43.82331 4.904244 99.93043       20.67664 96.84252       28.83798 103.1973       29.66178 41.68930 7.334677 43.09126 7.292219 -1.401955      10.34282 
1 1 1 5   10 60 o 42.51287 5.050988 94.76212       20.60819 113.1309       29.25086 76.65839       29.03907 45.36019 6.797144 36.16961 8.368463 9.190582       10.78111 
1 1 1 5   10 61 o 33.88479 6.097710 62.70656       19.48091 68.93470       27.86511 56.75224       27.24566 34.08881 8.405018 30.72416 8.679054 3.364651       12.08182 
1 1 1 5   11 0  o 208.1376 4.928377 2121.421       100.4063 2251.000       180.5388 2063.395       120.8137 214.1000 8.632546 205.1541 6.022822 8.945892       10.52593 
1 1 1 5   11 1  o 589.6001 10.98575 17062.02       634.0063 17350.40       907.0129 16786.48       886.5769 593.4956 15.62672 583.7879 15.52891 9.707703       22.03046 
1 1 1 5   11 2  o 329.1650 7.287068 5309.463       234.7863 5387.000       410.4388 5271.750       286.2453 330.8957 12.69572 327.7696 8.930348 3.126160       15.52200 
1 1 1 5   11 3  o 423.0137 9.209623 8775.300       381.3313 8754.000       657.9297 8786.074       467.9451 421.3491 15.98156 422.9064 11.31448 -1.557281      19.58131 
1 1 1 5   11 4  o 406.3102 8.872497 8094.916       352.8659 8516.000       631.0491 7903.357       425.6265 415.6488 15.53802 401.1411 10.84986 14.50772       18.95124 
1 1 1 5   11 5  o 420.3994 9.183096 8667.444       377.8831 10220.00       734.4379 8108.452       440.6912 455.1682 16.51191 406.2762 11.09209 48.89200       19.89164 
1 1 1 5   11 6  o 215.6755 4.409802 2277.649       93.09496 2287.000       184.6424 2274.462       107.7996 215.7883 8.759939 215.5068 5.110345 0.2815094      10.14161 
1 1 1 5   11 7  o 317.1989 8.670927 4937.253       268.9651 5403.000       402.6539 4562.000       361.4255 331.3842 12.43555 304.5024 12.15052 26.88184       17.38614 
1 1 1 5   11 8  o 119.1702 3.547870 695.8836       41.33877 760.7000       73.37597 665.7448       50.03507 124.4672 6.040758 116.5197 4.394890 7.947510       7.470329 
1 1 1 5   11 9  o 127.0139 3.768450 790.5417       46.79934 716.5000       73.60201 840.7928       60.63518 120.7719 6.247354 130.9462 4.738515 -10.17426      7.841106 
1 1 1 5   11 10 o 150.1538 4.084677 1104.767       59.97866 1058.000       97.25964 1133.468       76.19151 146.7794 6.787952 152.0414 5.126962 -5.261993      8.506587 
1 1 1 5   11 11 o 134.2404 4.688466 883.5869       61.51102 0.000000       0.000000 883.5869       61.51102 ?        ?        134.2404 4.688466 ?              ?        
1 1 1 5   11 12 o 421.8850 7.961751 8728.124       328.7826 8385.000       637.2669 8852.585       383.8080 412.0154 15.83108 424.7383 9.231801 -12.72281      18.32619 
1 1 1 5   11 13 o 145.7946 3.959642 1041.626       56.45485 995.6000       92.23864 1069.195       71.38797 142.3665 6.637366 147.6610 4.946141 -5.294434      8.277617 
1 1 1 5   11 14 o 243.4974 4.886556 2904.442       116.4671 2878.000       227.9704 2913.781       135.4824 241.8756 9.648335 243.8496 5.676160 -1.973938      11.19416 
1 1 1 5   11 15 o 141.4142 4.055168 980.2200       56.07373 970.0000       88.84996 986.9850       72.28821 140.5079 6.477695 141.8315 5.215897 -1.323608      8.316616 
1 1 1 5   11 16 o 498.9275 9.366693 12233.59       457.4355 11500.00       872.3449 12511.81       537.2192 480.4828 18.58334 504.2029 10.88529 -23.72015      21.53671 
1 1 1 5   11 17 o 65.87070 3.400167 213.0493       21.84874 228.2000       34.15856 202.5590       28.42352 68.04088 5.167534 64.13712 4.557223 3.903763       6.889970 
1 1 1 5   11 18 o 120.1581 4.614405 708.5468       54.17103 0.000000       0.000000 708.5468       54.17103 ?        ?        120.1581 4.614405 ?              ?        
1 1 1 5   11 19 o 329.7102 6.364058 5334.578       205.3869 5276.000       403.5410 5355.056       238.6031 326.3753 12.65575 330.1904 7.382533 -3.815063      14.65162 
1 1 1 5   11 20 o 262.5020 5.219916 3378.968       134.1227 3560.196       192.9549 3209.548       186.5627 269.0972 7.332388 255.4695 7.468718 13.62767       10.46641 
1 1 1 5   11 21 o 342.5319 6.585271 5761.290       220.7908 5886.475       314.6908 5639.921       309.8560 345.5386 9.312737 338.2045 9.368995 7.334076       13.21004 
1 1 1 5   11 22 o 88.42451 3.053069 383.4241       26.38539 385.3927       32.95952 379.9112       44.02847 88.60297 3.809272 87.85806 5.142194 0.7449112      6.399431 
1 1 1 5   11 23 o 215.9593 4.466589 2286.675       94.41788 2292.318       130.7734 2280.530       136.4624 215.9583 6.192869 215.3581 6.480969 0.6002350      8.964072 
1 1 1 5   11 24 o 203.5251 6.125836 2036.451       121.8975 2157.000       174.2816 1921.000       170.5570 209.0302 8.535933 197.1772 8.859666 11.85295       12.30268 
1 1 1 5   11 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   11 26 o 150.6002 3.597223 1111.565       53.02726 1104.886       70.85823 1120.067       79.94509 149.9855 4.832837 150.9449 5.419668 -0.9593964     7.261481 
1 1 1 5   11 27 f 306.9866 6.916951 4638.238       207.8454 4721.539       256.2372 4478.000       355.3850 309.1848 8.474763 299.6645 12.14109 9.520294       14.80634 
1 1 1 5   11 28 o 333.2095 7.462161 5473.196       243.3818 5603.159       301.4791 5230.000       412.4056 336.4088 9.164071 323.0880 13.06756 13.32080       15.96062 
1 1 1 5   11 29 o 259.4210 5.215845 3306.356       132.4451 3419.843       189.7482 3198.531       184.9552 263.2336 7.371535 254.5496 7.431097 8.683975       10.46713 
1 1 1 5   11 30 o 280.2904 5.564587 3864.022       152.6678 4133.204       223.4851 3628.497       209.0471 289.0594 7.906116 270.8272 7.894222 18.23224       11.17253 
1 1 1 5   11 31 o 90.78144 3.807721 405.1118       33.76004 405.2000       48.85979 405.0311       46.70116 90.57114 5.537790 90.58861 5.289828 -0.1746368E-01 7.658289 
1 1 1 5   11 32 o 114.5956 3.866865 645.4875       43.31225 647.6000       66.43481 643.9260       57.12051 114.4474 5.950836 114.2717 5.119780 0.1756592      7.850134 
1 1 1 5   11 33 o 130.1732 3.448948 832.3546       43.90680 809.4188       58.23315 862.5713       66.83999 128.1741 4.649261 132.2174 5.174649 -4.043320      6.956480 
1 1 1 5   11 34 o 68.82821 4.672424 234.4058       31.29195 267.1000       51.30224 215.0356       39.48822 72.95831 7.280944 65.62523 6.221697 7.333076       9.577143 
1 1 1 5   11 35 o 150.7807 4.366155 1121.004       64.37149 1147.000       109.7113 1107.356       79.49268 151.4664 7.422556 149.5530 5.439386 1.913391       9.202243 
1 1 1 5   11 36 o 147.2336 4.344903 1069.975       62.54864 1172.000       110.0694 1021.315       76.01506 152.9028 7.376121 143.5058 5.421329 9.397049       9.154123 
1 1 1 5   11 37 o 54.50522 4.152226 147.3878       21.98592 159.7019       27.60605 126.0312       36.35548 56.57531 5.037702 49.51605 7.755366 7.059254       9.247926 
1 1 1 5   11 38 o 60.28274 3.989638 180.1399       23.40898 166.0142       29.89606 202.5248       37.63464 57.55908 5.368228 63.40974 6.140282 -5.850655      8.156036 
1 1 1 5   11 39 o 75.09949 4.588939 280.4613       33.57200 280.4613       33.57200 0.000000       0.000000 75.09949 4.588939 ?        ?        ?              ?        
1 1 1 5   11 40 o 111.4236 3.814588 614.0824       41.54228 618.9763       49.18361 601.9000       77.59978 111.6343 4.510364 108.7868 7.330284 2.847481       8.606768 
1 1 1 5   11 41 o 77.59188 3.885296 298.5103       29.41458 312.6440       34.37936 259.9000       56.82254 79.25435 4.449548 70.72855 8.369656 8.525795       9.478904 
1 1 1 5   11 42 o 31.05620 6.478185 50.39926       19.05464 60.51529       22.63003 25.75528       35.32120 33.94775 7.041450 25.74015 9.920432 8.207600       12.16540 
1 1 1 5   11 43 o 47.10828 5.209642 112.3101       23.62121 118.5177       25.87701 81.29000       57.84578 48.29474 5.576334 38.42868 12.96814 9.866062       14.11624 
1 1 1 5   11 44 o 44.59148 4.730196 100.4257       20.33153 109.5795       25.26778 83.61492       34.24201 46.29216 5.696374 39.11298 9.113652 7.179180       10.74743 
1 1 1 5   11 45 o 21.17170 7.252725 21.78788       18.10165 21.94334       21.84466 21.44720       32.33814 21.90796 7.927115 23.93611 9.415730 -2.028149      12.30834 
1 1 1 5   11 46 o 17.19246 6.859911 8.947823       17.39474 17.96552       20.91936 -11.25726      31.31345 20.54854 7.700741 18.23930 8.238632 2.309238       11.27726 
1 1 1 5   11 47 o 98.00199 3.419351 477.8236       32.75057 470.2379       43.53162 487.7171       49.71432 96.57623 4.618370 97.97607 5.202534 -1.399841      6.956702 
1 1 1 5   11 48 o 23.93747 6.892048 30.71129       17.02057 30.43006       21.10425 31.23458       28.78818 24.05028 7.823141 25.12187 9.098765 -1.071592      11.99955 
1 1 1 5   11 49 o 15.91828 6.500087 6.198393       16.02289 5.259900       20.15291 7.811051       26.41760 17.15094 7.172613 19.57623 8.201245 -2.425299      10.89527 
1 1 1 5   11 50 o 37.01121 5.182153 71.02938       18.25991 66.58154       23.24691 78.19391       29.50424 35.03749 7.023172 37.40855 8.277033 -2.371063      10.85515 
1 1 1 5   11 51 o 33.62699 5.603822 59.51348       17.79622 46.29790       22.53621 81.40667       29.00630 28.82325 7.799722 38.24696 8.005320 -9.423708      11.17680 
1 1 1 5   11 52 o 27.17491 7.504356 41.08557       20.61851 24.50000       26.30121 67.53000       33.21067 22.82970 8.617673 33.85823 9.588229 -11.02854      12.89180 
1 1 1 5   11 53 o 28.98924 7.624372 47.22770       21.91942 45.56000       28.34169 49.71000       34.57758 28.20592 9.056712 29.28314 10.02418 -1.077225      13.50956 
1 1 1 5   11 54 o 34.32215 7.608136 65.97173       24.88835 77.77000       29.33076 35.63000       47.03640 36.92270 8.316139 27.50180 11.17173 9.420900       13.92715 
1 1 1 5   11 55 o 21.95582 8.048666 23.88231       22.62402 10.99000       45.15110 28.20441       26.14271 23.70856 10.33891 23.52257 8.647139 0.1859913      13.47836 
1 1 1 5   11 56 o 33.54564 7.574300 63.33101       24.27990 37.41000       46.19133 73.22709       28.54079 27.51312 11.10905 35.69048 8.323358 -8.177361      13.88125 
1 1 1 5   11 57 o 27.29378 7.005868 41.53503       18.81019 27.47914       25.14418 59.39849       28.34595 23.17173 8.486622 31.81949 8.803568 -8.647762      12.22806 
1 1 1 5   11 58 o 56.53590 4.053227 162.6009       22.28128 154.5609       30.46061 171.8535       32.67700 54.02725 5.853348 56.92277 5.952658 -2.895519      8.348402 
1 1 1 5   11 59 o 28.65463 6.857999 45.91375       18.97853 45.06940       26.20392 46.84533       27.52411 27.74724 8.684241 28.18935 8.911046 -0.4421120     12.44278 
1 1 1 5   11 60 o 31.29326 6.571039 54.39348       19.48574 44.21954       27.44736 64.73163       27.66797 27.30704 8.924316 33.01075 8.508961 -5.703707      12.33069 
1 1 1 5   11 61 o 33.46880 6.798338 62.90136       21.51063 86.36615       28.02920 29.28000       33.55136 38.74013 7.663206 24.04841 9.549520 14.69172       12.24410 
1 1 1 5   12 0  o 634.2914 13.62800 19781.38       846.1106 20380.00       1497.401 19500.61       1025.521 640.3275 23.93286 628.8388 16.67563 11.48871       29.16948 
1 1 1 5   12 1  o 674.8374 14.50049 22405.05       957.8293 22400.00       1655.780 22407.60       1174.243 670.7575 25.26433 673.7499 17.82111 -2.992371      30.91728 
1 1 1 5   12 2  o 298.9636 8.198499 4384.990       239.6893 4311.000       335.6324 4462.000       342.4131 296.0669 11.60405 301.2111 11.63565 -5.144226      16.43297 
1 1 1 5   12 3  o 555.7673 14.70981 15209.99       799.5106 15200.00       1130.296 15220.00       1131.062 553.8677 20.88617 554.2324 20.88651 -0.3646240     29.53774 
1 1 1 5   12 4  o 316.3925 6.102332 4903.899       188.9854 5290.000       396.2884 4790.243       215.0093 327.8975 12.36934 312.6562 7.025609 15.24133       14.22532 
1 1 1 5   12 5  o 330.4713 7.317765 5352.362       236.7110 5667.000       425.4173 5211.265       284.8848 339.3196 12.83167 325.8535 8.940283 13.46619       15.63907 
1 1 1 5   12 6  o 480.1351 10.39523 11314.63       488.5442 11970.00       879.7202 11022.38       587.4587 492.0476 18.29736 473.3962 12.68931 18.65140       22.26683 
1 1 1 5   12 7  o 242.2833 4.860610 2874.759       115.2711 2770.000       222.8231 2913.039       134.6953 237.4140 9.608285 243.8639 5.642853 -6.449936      11.14275 
1 1 1 5   12 8  o 140.2076 3.358504 962.4026       46.09180 898.8000       87.60457 986.7483       54.20007 135.2713 6.636554 141.9084 3.905699 -6.637100      7.700541 
1 1 1 5   12 9  o 319.3690 7.143702 4999.289       223.3173 4830.000       373.8625 5093.196       278.4506 313.2322 12.21724 322.1070 8.840006 -8.874817      15.08000 
1 1 1 5   12 10 o 479.6271 10.40197 11296.05       488.3439 0.000000       0.000000 11296.05       488.3439 ?        ?        479.6271 10.40197 ?              ?        
1 1 1 5   12 11 o 370.8958 7.061278 6743.673       256.3548 6676.000       507.0727 6766.908       297.1222 367.8593 14.10874 371.4303 8.172436 -3.571045      16.30476 
1 1 1 5   12 12 o 316.4643 6.111777 4908.136       189.3209 4971.000       379.5376 4887.313       218.4373 317.6051 12.23133 315.7199 7.068360 1.885223       14.12682 
1 1 1 5   12 13 o 194.8154 4.123518 1858.750       78.63162 1874.000       154.7745 1853.444       91.29056 195.2532 8.116020 194.5136 4.794791 0.7395782      9.426548 
1 1 1 5   12 14 o 242.5848 4.880642 2883.116       115.8902 2708.000       219.2445 2951.016       136.5217 234.5579 9.569415 245.3786 5.684060 -10.82074      11.13024 
1 1 1 5   12 15 o 155.1024 3.596329 1178.114       54.59892 1146.000       102.5859 1190.805       64.49184 152.6918 6.881500 155.8595 4.231238 -3.167633      8.078269 
1 1 1 5   12 16 o 29.87839 5.479580 45.13962       15.43508 32.86000       26.72529 51.28566       18.90724 26.56721 8.812132 31.78274 6.300274 -5.215528      10.83269 
1 1 1 5   12 17 o 121.8017 3.623483 727.2941       43.15219 688.2000       69.67152 751.6247       54.96378 118.2993 6.036778 123.7658 4.544726 -5.466545      7.556271 
1 1 1 5   12 18 o 623.0025 11.67111 19168.05       711.7185 19480.00       1435.434 19066.36       819.5513 618.9839 23.73575 620.4083 13.49560 -1.424377      27.30416 
1 1 1 5   12 19 o 233.3766 6.710829 2676.355       153.1399 2673.000       212.2350 2680.000       221.1874 232.7931 9.333014 233.0221 9.718772 -0.2290192     13.47441 
1 1 1 5   12 20 o 156.7483 4.243010 1205.030       65.04044 1257.000       107.0966 1174.662       81.86670 159.8276 6.861679 154.6558 5.416340 5.171844       8.741818 
1 1 1 5   12 21 f 130.5040 4.745758 836.2133       60.52181 826.1000       79.56428 850.1000       93.23328 129.5536 6.293085 131.3024 7.282774 -1.748810      9.625056 
1 1 1 5   12 22 o 281.7139 5.544536 3894.864       152.8902 3867.750       212.4801 3923.974       220.1633 280.2573 7.753050 282.2379 7.977364 -1.980560      11.12421 
1 1 1 5   12 23 o 162.6629 4.213991 1298.028       67.03824 1249.106       77.80579 1439.000       132.0766 159.4893 4.990096 170.7767 7.922753 -11.28738      9.363283 
1 1 1 5   12 24 o 90.49156 3.152488 401.6585       27.88071 392.4236       33.93210 420.8499       48.91566 89.39172 3.887288 92.43443 5.430319 -3.042709      6.678276 
1 1 1 5   12 25 o 130.2236 4.090905 832.2654       52.08065 902.5000       85.75126 791.2163       65.55663 135.3360 6.492165 126.8480 5.291533 8.487946       8.375472 
1 1 1 5   12 26 o 222.6662 5.278381 2434.331       115.0433 2447.700       139.5725 2406.000       203.1779 223.0183 6.400334 220.3955 9.440055 2.622742       11.40521 
1 1 1 5   12 27 o 244.8587 5.814079 2946.917       139.3486 3208.000       249.0693 2827.958       168.1237 254.2142 10.02922 239.4918 7.179975 14.72243       12.33440 
1 1 1 5   12 28 o 144.3446 4.225126 1023.068       59.63191 1113.000       102.8513 977.5283       73.18886 150.1377 7.018064 140.9567 5.314121 9.180969       8.803017 
1 1 1 5   12 29 o 231.6523 5.467483 2638.525       123.9739 2593.287       148.4067 2743.000       225.5327 229.3181 6.618559 234.7880 9.835360 -5.469910      11.85494 
1 1 1 5   12 30 o 150.8158 3.614980 1115.730       53.36531 1160.996       73.40553 1064.989       77.71895 153.6234 4.887855 147.0416 5.409054 6.581818       7.290335 
1 1 1 5   12 31 o 231.3191 4.758428 2630.712       107.7411 2629.597       149.9354 2631.902       154.9248 230.6799 6.647241 230.7062 6.868141 -0.2635193E-01 9.558094 
1 1 1 5   12 32 o 137.0150 3.504426 922.0531       46.96071 918.1838       62.71320 926.9924       70.85448 136.5339 4.699592 137.0718 5.290896 -0.5379181     7.076705 
1 1 1 5   12 33 o 105.0494 3.782263 542.9258       38.82775 504.7000       56.39845 577.3683       53.53486 100.9321 5.732193 108.1126 5.073025 -7.180527      7.654647 
1 1 1 5   12 34 o 65.66055 4.068090 212.9480       26.01735 222.6000       34.73529 200.6122       39.26853 66.92017 5.347283 63.28348 6.428517 3.636688       8.361774 
1 1 1 5   12 35 o 114.7947 3.870764 649.3445       43.43132 642.6000       65.82854 654.5433       57.79494 113.6769 5.936677 114.9552 5.149428 -1.278259      7.858801 
1 1 1 5   12 36 o 122.8355 4.136055 744.7687       49.65885 777.4000       83.65604 727.0143       61.70681 124.5766 6.887284 121.0569 5.219861 3.519691       8.641853 
1 1 1 5   12 37 o 68.04838 4.867264 230.4620       32.20561 292.6000       54.77859 197.6380       39.81326 75.92540 7.467370 62.53889 6.603454 13.38651       9.968310 
1 1 1 5   12 38 o 48.86464 6.131959 121.0744       28.68505 110.2000       46.95760 127.5481       36.23086 45.15663 10.77452 49.70227 7.695780 -4.545639      13.24067 
1 1 1 5   12 39 o 48.01002 4.824790 115.5392       22.36633 111.5346       25.13009 130.8000       49.05777 46.97693 5.573658 49.22447 10.50200 -2.247543      11.88940 
1 1 1 5   12 40 o 34.50626 7.154312 62.35192       23.37031 62.35192       23.37031 0.000000       0.000000 34.50626 7.154312 ?        ?        ?              ?        
1 1 1 5   12 41 o 101.3923 3.442173 508.0565       34.11253 496.6785       44.03194 525.1373       53.94977 99.90161 4.514532 102.3668 5.403374 -2.465187      7.041126 
1 1 1 5   12 42 o 24.60717 7.807093 30.87818       21.10983 23.39050       22.58622 82.60000       59.36177 22.64107 8.076731 38.80699 13.13684 -16.16592      15.42109 
1 1 1 5   12 43 o 56.72762 4.196097 160.7823       23.13454 156.4983       28.74682 168.6568       38.97404 55.61060 5.346941 57.04873 7.135077 -1.438126      8.916227 
1 1 1 5   12 44 o 17.71363 7.083631 9.077145       18.58948 8.869716       22.79450 9.489058       32.12161 19.00593 7.755927 21.75562 9.073648 -2.749685      11.93673 
1 1 1 5   12 45 f 38.01348 5.648959 74.71983       20.38098 75.08314       25.65491 74.09825       33.55674 37.50542 7.250612 36.43787 9.359694 1.067543       11.83956 
1 1 1 5   12 46 o 56.84853 4.147598 162.4170       22.92048 147.4253       29.22809 186.3607       36.93776 53.54409 5.662459 59.88314 6.400882 -6.339046      8.546037 
1 1 1 5   12 47 o 66.89043 3.676532 223.6490       23.97923 213.3061       30.34994 240.8318       39.11853 64.83844 4.816504 68.32275 5.907372 -3.484306      7.622057 
1 1 1 5   12 48 o 50.90387 4.129884 130.7329       20.40101 140.6642       26.13725 115.2492       32.63568 52.38446 5.164533 46.25187 7.462648 6.132587       9.075435 
1 1 1 5   12 49 o 26.07975 6.736208 36.85200       17.31614 37.85746       22.39312 35.35656       27.30973 26.31248 7.992033 25.87146 8.906835 0.4410210      11.96680 
1 1 1 5   12 50 o 30.21201 6.258248 48.96581       17.89790 60.03668       23.40356 33.36990       27.77770 33.03555 7.419468 25.31787 8.964588 7.717686       11.63668 
1 1 1 5   12 51 o 29.14780 6.792797 46.37903       19.02013 52.73217       23.28179 33.63000       32.98075 30.74134 7.742648 25.86073 9.673745 4.880604       12.39072 
1 1 1 5   12 52 o 39.55720 5.496316 82.10628       20.70744 76.51078       25.14782 93.89000       36.49405 37.33933 7.140759 39.95816 9.475264 -2.618824      11.86470 
1 1 1 5   12 53 o 48.68719 5.219649 123.2503       24.48711 145.4912       28.20676 55.21000       49.33552 52.74400 5.546443 30.77016 11.75856 21.97384       13.00103 
1 1 1 5   12 54 o 24.38279 7.160790 32.81039       18.21110 46.10794       24.63225 16.77987       27.04531 28.40921 8.323943 21.15802 8.515485 7.251192       11.90804 
1 1 1 5   12 55 o 23.18946 7.652178 29.14649       20.16032 55.76000       31.54355 10.76806       26.21281 30.64852 9.518153 19.72845 8.209941 10.92007       12.56974 
1 1 1 5   12 56 o 42.43374 5.628432 95.06673       22.80191 113.0000       35.67273 82.67797       29.64972 44.41138 8.515843 38.03709 8.204919 6.374294       11.82541 
1 1 1 5   12 57 o 16.91928 7.117092 5.690619       20.02084 11.44000       31.47993 1.785614       25.94382 20.98427 8.880720 17.98714 7.840629 2.997133       11.84663 
1 1 1 5   12 58 o 28.77000 7.995915 47.60377       23.32542 37.75000       46.52517 50.91209       26.95819 27.39302 11.11699 29.45526 8.728691 -2.062241      14.13426 
1 1 1 5   12 59 o 45.38746 5.922239 110.2442       25.68351 111.5000       48.33911 109.7503       30.31678 40.94745 11.55814 44.40703 7.222669 -3.459583      13.62929 
1 1 1 5   12 60 o 38.24087 6.105902 79.54417       22.08690 93.77097       28.63832 58.66000       34.69785 40.63264 7.475956 30.50551 10.03766 10.12714       12.51577 
1 1 1 5   13 0  o 317.9226 8.699082 4960.438       270.4536 5532.000       411.5550 4526.000       358.8062 335.2648 12.56327 303.2686 12.11158 31.99612       17.45068 
1 1 1 5   13 1  o 1014.903 21.83146 51055.56       2168.770 51080.00       3754.942 51043.32       2656.713 1001.372 38.38014 1011.169 26.86578 -9.797791      46.84875 
1 1 1 5   13 2  o 270.0911 6.138030 3573.868       162.2727 3772.000       290.5090 3484.013       195.6389 276.9812 10.73560 266.5018 7.507265 10.47943       13.10008 
1 1 1 5   13 3  o 414.4403 7.822186 8420.261       317.3192 8531.000       640.2877 8384.208       365.3405 415.8044 15.76038 413.4376 9.027793 2.366730       18.16289 
1 1 1 5   13 4  o 538.0621 11.61227 14222.08       611.5836 15180.00       1109.922 13804.43       732.8783 553.3333 20.52831 529.4379 14.15469 23.89532       24.93525 
1 1 1 5   13 5  o 431.5773 9.389742 9138.538       396.6601 9652.000       713.7455 8909.088       477.1258 442.0817 16.52341 425.7129 11.46054 16.36884       20.10888 
1 1 1 5   13 6  o 269.5770 7.553118 3565.336       199.1072 4093.000       306.2511 3179.000       262.0483 288.4926 10.86459 254.2351 10.55322 34.25752       15.14628 
1 1 1 5   13 7  o 314.6349 8.622043 4859.396       265.2856 4984.000       380.0573 4741.000       370.4675 318.1725 12.22613 310.3084 12.22082 7.864075       17.28661 
1 1 1 5   13 8  o 258.2122 5.947759 3266.725       150.3268 3050.000       247.2144 3393.880       189.3586 249.0294 10.16320 263.0094 7.362664 -13.98004      12.54988 
1 1 1 5   13 9  o 449.9219 8.471694 9930.997       373.0900 10150.00       755.6505 9860.400       429.0298 452.8838 17.07681 448.1411 9.780622 4.742737       19.67938 
1 1 1 5   13 10 o 366.2346 6.991081 6576.030       250.6167 6194.000       478.6885 6720.286       294.1525 354.2617 13.83114 370.1157 8.119491 -15.85397      16.03828 
1 1 1 5   13 11 o 398.0292 7.549865 7771.148       294.1442 8085.000       602.3716 7672.879       337.0623 404.3087 15.24840 395.3573 8.709921 8.951385       17.56065 
1 1 1 5   13 12 o 387.2528 7.365406 7356.618       279.1885 7766.000       576.7130 7231.310       319.0685 396.1865 14.89801 383.7932 8.493379 12.39328       17.14900 
1 1 1 5   13 13 o 199.0435 4.194341 1940.574       81.71804 2046.000       165.2634 1906.455       94.01590 203.9673 8.295011 197.2577 4.869240 6.709595       9.618560 
1 1 1 5   13 14 o 173.8568 3.828007 1480.423       65.14343 1482.000       126.4747 1479.854       76.00024 173.6084 7.460046 173.7422 4.472647 -0.1338501     8.698095 
1 1 1 5   13 15 o 203.7570 4.272582 2033.996       85.21367 1951.000       162.4910 2065.480       100.0796 199.0933 8.356668 205.2899 4.980484 -6.196564      9.728265 
1 1 1 5   13 16 o 171.2646 3.812247 1436.828       63.90796 1515.000       126.9617 1410.299       73.96118 175.4871 7.407971 169.5896 4.459389 5.897491       8.646629 
1 1 1 5   13 17 o 302.3785 5.890308 4485.404       174.3393 4437.000       342.5507 4502.325       202.5318 299.4822 11.70807 302.8252 6.832742 -3.343018      13.55600 
1 1 1 5   13 18 o 56.08759 4.384108 155.1129       23.87768 0.000000       0.000000 155.1129       23.87768 ?        ?        56.08759 4.384108 ?              ?        
1 1 1 5   13 19 o 133.9257 3.363195 879.1401       44.05331 945.6000       84.87685 854.6353       51.53892 138.6486 6.270367 132.0037 3.993399 6.644913       7.434026 
1 1 1 5   13 20 o 192.4512 4.131530 1815.291       77.82832 1853.000       151.6510 1801.807       90.68099 193.8911 8.007871 191.6229 4.838492 2.268112       9.356121 
1 1 1 5   13 21 o 86.23874 4.356079 365.5313       36.65182 357.6000       44.56910 382.1000       64.41802 85.20050 5.371575 87.81178 7.568380 -2.611282      9.280851 
1 1 1 5   13 22 o 227.4895 6.472586 2545.031       143.9805 2545.031       143.9805 0.000000       0.000000 227.4895 6.472586 ?        ?        ?              ?        
1 1 1 5   13 23 o 105.9147 3.547139 550.3376       36.72211 560.6218       42.02095 517.1000       75.54350 106.8645 4.024416 102.2118 7.605248 4.652672       8.604403 
1 1 1 5   13 24 o 178.5414 5.618747 1566.922       98.07167 1632.000       137.2348 1499.000       140.2013 181.8665 7.726738 174.1848 8.246517 7.681641       11.30078 
1 1 1 5   13 25 o 284.9403 6.470550 3992.674       180.4685 4093.546       223.1563 3802.000       306.8100 288.0679 7.921739 276.4583 11.36214 11.60956       13.85107 
1 1 1 5   13 26 o 195.6474 4.768583 1878.689       91.32078 1956.180       112.7616 1731.000       155.6709 199.4263 5.782711 187.0309 8.525729 12.39537       10.30184 
1 1 1 5   13 27 f 71.17413 5.125655 250.0784       35.46985 243.4000       46.68228 259.2000       54.55722 69.96352 6.906695 72.05823 7.862445 -2.094704      10.46520 
1 1 1 5   13 28 o 260.5703 7.440631 3353.459       189.5815 3707.000       282.8272 3065.000       255.4724 272.7043 10.61582 247.9594 10.54996 24.74492       14.96654 
1 1 1 5   13 29 o 238.1883 4.862114 2787.740       113.3579 2921.857       161.6407 2657.943       159.0160 243.2964 6.794137 231.9753 7.011189 11.32106       9.763046 
1 1 1 5   13 30 f 130.3967 3.386478 834.5691       43.18704 850.6519       57.46251 813.6922       65.46918 131.5081 4.470515 128.4995 5.215943 3.008667       6.869612 
1 1 1 5   13 31 o 153.9475 3.634255 1163.374       54.76389 1219.794       75.67207 1101.329       79.35478 157.3656 4.918732 149.4140 5.435003 7.951614       7.330292 
1 1 1 5   13 32 o 73.55434 3.278513 266.0540       23.54500 279.0960       29.38123 242.6474       39.36107 75.25278 4.003193 69.86946 5.807835 5.383324       7.053829 
1 1 1 5   13 33 o 140.3218 3.500507 967.3185       48.07975 969.5884       64.61151 964.5020       71.97263 140.1934 4.715139 139.6862 5.273371 0.5072479      7.073965 
1 1 1 5   13 34 o 119.8428 3.342569 706.2930       39.17184 710.4495       51.63428 700.6572       60.12471 119.9844 4.403973 118.9661 5.175636 1.018250       6.795748 
1 1 1 5   13 35 o 57.22983 4.307531 162.4277       23.95288 167.4000       31.05448 155.1249       37.63514 57.85806 5.551488 55.29253 7.118779 2.565525       9.027514 
1 1 1 5   13 36 o 59.80917 4.234413 177.4274       24.62919 169.5000       31.91733 189.0957       38.72270 58.14014 5.680866 61.20346 6.566275 -3.063320      8.682639 
1 1 1 5   13 37 o 49.80712 4.724481 123.9566       22.75766 109.7000       29.00241 146.8001       36.71189 46.37109 6.573749 53.58026 7.180564 -7.209164      9.735229 
1 1 1 5   13 38 o 57.94576 5.997249 169.5404       33.52464 143.5000       44.20338 204.8000       51.43641 52.26942 8.962181 62.81059 8.591181 -10.54117      12.41487 
1 1 1 5   13 39 o 62.95354 5.061615 198.4455       30.92734 197.7000       47.36402 198.9997       40.83450 61.81100 8.017161 62.49011 6.784651 -0.6791115     10.50268 
1 1 1 5   13 40 o 26.27674 9.586058 30.90471       32.03378 18.54000       40.17437 52.49000       53.08065 25.52210 10.34038 33.34533 12.31053 -7.823236      16.07708 
1 1 1 5   13 41 o 57.43985 4.825621 165.4691       26.88082 165.4691       26.88082 0.000000       0.000000 57.43985 4.825621 ?        ?        ?              ?        
1 1 1 5   13 42 f 51.85023 4.253477 134.4213       21.39783 122.5858       25.38308 163.4883       39.77881 49.19043 5.358293 56.09908 7.426434 -6.908653      9.157687 
1 1 1 5   13 43 o 61.51410 3.872477 188.5623       23.19852 172.3865       28.20473 222.3912       40.78799 58.46332 4.975939 65.85228 6.408814 -7.388958      8.113746 
1 1 1 5   13 44 o 26.18025 7.141096 36.57954       18.80247 28.86365       22.83029 52.84670       33.14927 23.99914 8.146705 31.11601 9.771727 -7.116865      12.72224 
1 1 1 5   13 45 o 48.14345 4.560817 117.3105       21.23618 108.7665       26.49430 132.6633       35.51530 45.76976 6.062780 49.91759 7.500379 -4.147835      9.644324 
1 1 1 5   13 46 o 85.50247 3.372129 363.6860       28.16674 346.7040       35.97667 390.5804       45.27493 82.98473 4.445334 87.58296 5.306083 -4.598228      6.922103 
1 1 1 5   13 47 o 15.98066 6.541428 5.996131       16.27617 -5.358962      19.40751 32.91739       29.88285 14.82644 6.607387 25.65257 9.273007 -10.82614      11.38623 
1 1 1 5   13 48 o 24.11463 6.805981 31.31124       16.76217 33.43261       20.73673 27.31209       28.47193 24.91292 7.714111 24.09135 8.992965 0.8215733      11.84825 
1 1 1 5   13 49 o 64.39333 3.589386 207.6640       22.53436 215.4681       29.26849 196.3039       35.31246 65.11496 4.622167 61.40019 5.950090 3.714767       7.534454 
1 1 1 5   13 50 o 17.35501 6.842399 10.56571       17.11165 7.260926       20.74544 17.60000       30.26640 17.68045 7.326016 22.19926 8.982022 -4.518808      11.59083 
1 1 1 5   13 51 o 27.61515 6.870844 41.88635       18.49678 39.48809       22.51898 46.86000       32.42931 26.61068 7.999863 28.71943 9.709773 -2.108759      12.58084 
1 1 1 5   13 52 o 33.99517 6.537838 62.70014       20.96503 56.45115       23.21510 90.33000       48.81517 31.73373 7.578468 37.47661 11.86980 -5.742880      14.08280 
1 1 1 5   13 53 o 29.01645 6.364496 45.88905       17.57812 53.71076       22.95100 34.79037       27.33925 30.86811 7.638062 25.30992 8.899541 5.558184       11.72782 
1 1 1 5   13 54 o 39.72324 5.734262 83.60204       21.65142 118.9000       33.76819 58.96025       28.21428 46.19313 7.742035 31.76228 8.781311 14.43086       11.70686 
1 1 1 5   13 55 o 30.94770 6.292782 52.10346       18.41230 58.99454       25.01564 43.95699       27.19901 32.12231 7.989306 27.61846 8.872664 4.503851       11.93956 
1 1 1 5   13 56 o 26.05383 7.011499 37.83673       18.27206 23.08637       24.64889 55.82973       27.22374 22.01670 8.335439 30.91771 8.655105 -8.901012      12.01625 
1 1 1 5   13 57 o 78.98347 4.048164 316.7176       31.19244 375.5000       51.63631 282.9422       39.14104 83.89740 6.334624 73.55421 5.475775 10.34319       8.373266 
1 1 1 5   13 58 o 24.95970 7.740992 35.21379       20.87196 55.23000       34.09892 23.22114       26.39413 30.10579 9.952648 22.19446 8.569876 7.911333       13.13385 
1 1 1 5   13 59 o 20.19452 7.693951 19.03091       21.08192 8.358000       35.54243 24.82409       26.18568 21.13177 9.194727 22.40787 8.565675 -1.276104      12.56638 
1 1 1 5   13 60 o 16.71911 7.177004 3.950895       21.08198 9.925000       36.54739 0.9717574      25.80864 21.41353 9.320487 17.58849 7.739127 3.825047       12.11468 
1 1 1 5   14 0  o 167.3199 5.261756 1372.641       86.06853 1519.000       129.5503 1257.000       115.1559 175.8639 7.543386 159.9632 7.374451 15.90070       10.54918 
1 1 1 5   14 1  o 338.4717 7.498703 5616.287       248.4361 5689.000       434.1970 5580.895       302.9220 339.8275 13.07776 337.1378 9.188025 2.689636       15.98273 
1 1 1 5   14 2  o 214.1333 4.412305 2245.428       92.48174 2363.000       190.8832 2209.365       105.7182 219.2906 8.911425 212.3864 5.085305 6.904221       10.26030 
1 1 1 5   14 3  o 360.4582 7.942783 6371.222       280.2423 6729.000       503.8179 6210.932       337.2256 369.4405 13.95740 355.5962 9.697568 13.84433       16.99564 
1 1 1 5   14 4  o 188.5231 5.673682 1742.745       104.5782 1592.000       141.5355 1924.000       155.1990 179.9959 8.053748 197.9124 8.028084 -17.91655      11.37159 
1 1 1 5   14 5  o 170.4376 4.360531 1423.497       72.68659 1339.000       121.8740 1470.145       90.55470 165.0823 7.562396 173.1552 5.349218 -8.072906      9.263042 
1 1 1 5   14 6  o 387.0285 8.514238 7348.842       322.5485 8497.000       616.8877 6916.850       378.3932 414.7884 15.21985 375.1275 10.31503 39.66086       18.38597 
1 1 1 5   14 7  o 109.1831 4.805630 585.0335       51.23265 0.000000       0.000000 585.0335       51.23265 ?        ?        109.1831 4.805630 ?              ?        
1 1 1 5   14 8  o 76.05656 3.337135 283.7701       24.78325 231.3000       46.43330 304.6721       29.30676 68.32224 7.044077 78.78658 3.811533 -10.46435      8.009170 
1 1 1 5   14 9  o 238.6313 5.536737 2790.436       129.3265 2753.000       220.6888 2810.015       159.6029 236.5441 9.551158 239.2934 6.820989 -2.749344      11.73672 
1 1 1 5   14 10 o 563.6490 10.53757 15623.67       581.3738 16530.00       1208.988 15351.05       663.0720 575.0326 21.51741 558.2733 12.13410 16.75934       24.70294 
1 1 1 5   14 11 o 174.5653 3.847331 1492.424       65.73911 1600.000       133.8572 1458.231       75.46716 180.4081 7.597185 172.4751 4.473961 7.932999       8.816663 
1 1 1 5   14 12 f 148.5976 3.491852 1081.349       50.78948 1067.000       98.27328 1086.579       59.32693 147.3233 6.833488 148.8843 4.074790 -1.561035      7.956160 
1 1 1 5   14 13 o 310.0688 6.011978 4714.687       182.4659 5186.000       387.2265 4580.167       206.8728 323.9677 12.23314 305.5154 6.917737 18.45236       14.05364 
1 1 1 5   14 14 o 80.87114 3.049308 320.7163       24.09475 292.7000       45.52657 331.6170       28.39793 77.01028 6.089147 82.20853 3.537375 -5.198250      7.042068 
1 1 1 5   14 15 o 102.1120 3.105354 511.0970       31.00195 521.4000       58.89962 507.1487       36.46144 102.9344 5.870163 101.6851 3.669298 1.249290       6.922612 
1 1 1 5   14 16 o 164.6853 3.730486 1328.650       60.13488 1369.000       117.9213 1314.469       69.90808 166.7867 7.240364 163.7165 4.366330 3.070145       8.455040 
1 1 1 5   14 17 o 350.0243 6.730664 6016.389       230.6016 6374.000       475.9257 5906.674       263.6130 358.1776 13.59954 346.6242 7.769656 11.55334       15.66254 
1 1 1 5   14 18 o 255.5116 5.111924 3201.836       127.8501 3329.000       258.0072 3160.449       147.1925 259.5458 10.17546 253.7644 5.925827 5.781418       11.77520 
1 1 1 5   14 19 o 115.7268 3.233386 656.5587       36.59079 619.2000       65.92287 673.1932       43.98916 112.1445 6.027687 117.1448 3.841530 -5.000290      7.147752 
1 1 1 5   14 20 o 167.5110 5.158546 1377.932       84.48098 1250.000       112.5543 1543.000       127.8505 159.2711 7.238616 176.9649 7.397205 -17.69379      10.34970 
1 1 1 5   14 21 o 120.1614 4.227032 708.7505       49.63976 708.7505       49.63976 0.000000       0.000000 120.1614 4.227032 ?        ?        ?              ?        
1 1 1 5   14 22 o 107.5556 3.744396 567.6606       39.36027 531.2143       45.01068 686.1000       81.14039 103.9846 4.432389 117.8920 7.063871 -13.90747      8.339326 
1 1 1 5   14 23 o 109.5194 3.180343 588.1613       34.05737 583.0979       37.57062 611.5000       80.66105 109.0225 3.525311 111.2016 7.453530 -2.179070      8.245176 
1 1 1 5   14 24 o 242.5115 5.646301 2888.870       134.0302 3068.548       168.1685 2576.000       221.9114 249.6237 6.889191 227.9137 9.971381 21.70996       12.11979 
1 1 1 5   14 25 o 120.5923 3.682837 713.5919       43.42091 777.1653       52.48433 575.7000       77.29678 125.7995 4.268486 107.8480 7.366453 17.95152       8.513789 
1 1 1 5   14 26 o 324.9302 7.307044 5204.415       232.4010 5386.333       290.6626 4882.000       386.9536 329.8282 9.011609 312.2238 12.68797 17.60434       15.56258 
1 1 1 5   14 27 o 177.5936 3.918402 1547.114       68.11494 1645.253       80.19641 1293.000       129.0477 183.0761 4.475248 161.5349 8.188358 21.54121       9.331509 
1 1 1 5   14 28 o 148.7945 4.010499 1087.232       58.35729 1096.464       69.42551 1065.000       107.7306 149.3230 4.755983 146.6377 7.530859 2.685333       8.906919 
1 1 1 5   14 29 o 168.5634 4.337599 1396.444       71.50854 1408.236       85.50145 1369.000       130.4409 169.1255 5.170930 166.0507 8.049381 3.074768       9.567187 
1 1 1 5   14 30 o 145.3186 3.529634 1036.338       50.20617 1046.244       66.93946 1023.600       75.90764 145.7842 4.697132 144.0627 5.392560 1.721512       7.151416 
1 1 1 5   14 31 o 205.3868 4.345659 2074.390       87.36438 2059.842       119.7144 2090.964       127.7837 204.1414 5.997641 205.5540 6.358666 -1.412613      8.740958 
1 1 1 5   14 32 o 126.0207 3.318958 780.3372       40.90455 771.8050       53.65445 792.1785       63.20806 125.1444 4.386927 126.6324 5.109920 -1.488060      6.734716 
1 1 1 5   14 33 o 160.3715 3.715332 1264.777       58.32183 1298.717       79.87605 1226.021       85.35536 162.1074 5.040058 157.3376 5.551025 4.769806       7.497737 
1 1 1 5   14 34 o 70.67791 3.303080 246.0789       22.78800 239.2161       27.41476 261.4217       40.99097 69.56992 4.043265 72.36761 5.836254 -2.797691      7.099989 
1 1 1 5   14 35 o 80.01827 3.251561 315.3837       25.41451 304.8072       30.92914 337.3697       44.59323 78.52618 4.037455 82.26817 5.570568 -3.741997      6.879846 
1 1 1 5   14 36 o 106.7864 4.062605 563.7468       42.38714 589.5000       67.71635 547.1557       54.35210 108.4036 6.410426 104.8277 5.314388 3.575897       8.326841 
1 1 1 5   14 37 o 114.5753 4.532469 651.1200       50.73109 638.0000       65.04210 671.5000       81.06431 112.8921 5.906608 115.1949 7.225758 -2.302788      9.332716 
1 1 1 5   14 38 o 143.0399 4.187851 1013.464       58.57157 1009.000       92.34106 1016.469       75.76292 141.4238 6.689581 142.6715 5.435108 -1.247711      8.619217 
1 1 1 5   14 39 o 124.5633 4.851924 772.9625       59.04445 813.3000       77.33874 716.6000       91.41931 127.0552 6.237750 118.1937 7.948218 8.861488       10.10365 
1 1 1 5   14 40 o 19.69465 7.642613 13.39104       21.06960 14.31000       22.93528 8.422000       53.33254 20.44579 7.962657 26.84556 11.46708 -6.399771      13.96058 
1 1 1 5   14 41 o 54.69843 5.484870 151.3996       28.97036 114.5000       42.82433 182.5357       39.33790 45.84952 9.836939 59.58762 6.870107 -13.73810      11.99849 
1 1 1 5   14 42 o 64.07392 7.834796 214.6000       48.11674 214.6000       48.11674 0.000000       0.000000 64.07392 7.834796 ?        ?        ?              ?        
1 1 1 5   14 43 o 67.70808 4.935745 231.0992       32.48675 263.9000       53.33026 211.7460       40.96452 70.89436 7.814705 64.05123 6.629657 6.843132       10.24802 
1 1 1 5   14 44 o 81.79984 3.535470 332.8423       28.24094 278.2835       35.04137 433.9547       47.70358 74.24975 4.847988 92.52962 5.289040 -18.27988      7.174742 
1 1 1 5   14 45 o 41.78107 4.907562 89.15706       19.68799 72.15165       23.60214 128.0583       35.69764 36.82650 6.798013 48.85823 7.720607 -12.03173      10.28692 
1 1 1 5   14 46 o 59.21867 3.808403 175.7217       21.95833 189.7265       27.49761 151.0725       36.48028 61.21172 4.623567 53.33721 7.168853 7.874512       8.530523 
1 1 1 5   14 47 o 25.81788 6.633239 35.97553       16.85163 45.54610       20.64841 16.88696       29.16114 28.86858 7.303070 22.01319 8.848358 6.855396       11.47294 
1 1 1 5   14 48 o 33.03648 5.702979 57.39868       17.77537 73.15007       22.40109 30.61899       29.20872 37.08969 6.401636 24.91248 9.143149 12.17721       11.16146 
1 1 1 5   14 49 o 64.79314 3.894568 211.1829       24.58585 204.1460       29.28130 228.0000       45.26628 63.27955 4.762328 65.28409 7.203338 -2.004536      8.635267 
1 1 1 5   14 50 o 36.78096 5.496889 70.85513       19.18382 70.95241       23.11746 70.64000       34.37963 36.23003 6.767563 34.67120 9.733694 1.558830       11.85515 
1 1 1 5   14 51 o 41.23868 5.609066 89.35137       22.05498 94.16989       24.26728 66.48000       52.87012 42.12149 6.060069 32.95226 12.26363 9.169231       13.67922 
1 1 1 5   14 52 o 26.17396 6.718911 37.76502       17.29999 33.77237       22.30261 43.79661       27.41201 24.74174 8.041759 27.67285 8.908958 -2.931108      12.00164 
1 1 1 5   14 53 o 64.03031 3.632668 206.3950       22.67422 193.3289       30.10402 223.5258       34.46997 61.16331 5.073994 65.55324 5.420464 -4.389923      7.424745 
1 1 1 5   14 54 o 49.77016 4.176626 126.2546       20.15951 131.5172       27.50058 120.1417       29.63909 49.95903 5.727109 47.19488 6.595884 2.764149       8.735300 
1 1 1 5   14 55 o 35.46096 5.641060 66.81080       18.92503 54.35722       25.47596 82.14536       28.26956 30.67456 8.289508 38.13400 7.835780 -7.459438      11.40681 
1 1 1 5   14 56 o 35.83382 5.750219 68.48466       19.48698 94.21761       26.94751 40.27694       28.21356 41.48045 6.877745 26.59797 9.055985 14.88248       11.37164 
1 1 1 5   14 57 o 40.63175 5.123730 86.43738       19.92564 106.1739       27.94321 66.02003       28.42109 44.16340 6.671932 33.54253 8.612586 10.62087       10.89455 
1 1 1 5   14 58 o 32.72767 6.342626 58.68536       19.58465 53.80464       27.49557 63.71167       27.90267 30.06895 8.790071 32.81963 8.588033 -2.750679      12.28901 
1 1 1 5   14 59 o 19.20426 7.452279 16.16405       20.03314 22.65244       27.09662 8.342000       29.75138 21.98390 8.627634 19.81448 8.516137 2.169424       12.12273 
1 1 1 5   14 60 o 22.84496 8.327463 28.42247       24.16732 28.76300       28.08167 27.45000       47.45509 23.30085 8.879272 25.23166 10.79821 -1.930809      13.98009 
1 1 1 5   15 0  o 432.2018 8.156703 9163.603       345.0702 8994.000       680.0223 9222.420       400.4586 426.3845 16.32370 433.4147 9.439475 -7.030212      18.85648 
1 1 1 5   15 1  o 588.5740 12.69365 17051.09       731.2971 17010.00       1264.286 17071.75       896.4893 584.0837 22.15400 587.8805 15.59313 -3.796814      27.09143 
1 1 1 5   15 2  o 198.7593 5.970863 1937.659       116.0321 1916.000       162.8384 1960.000       165.3794 197.4285 8.445889 199.6831 8.480550 -2.254578      11.96882 
1 1 1 5   15 3  o 234.0123 5.472866 2683.072       125.3602 2799.000       223.0292 2629.531       151.5691 238.5543 9.570856 231.5061 6.695738 7.048187       11.68051 
1 1 1 5   15 4  o 624.4667 13.45980 19216.46       822.7241 19290.00       1428.591 19179.97       1006.365 620.8854 23.54931 622.5817 16.52864 -1.696350      28.77093 
1 1 1 5   15 5  o 566.0677 12.25305 15775.32       678.9205 16600.00       1214.978 15400.90       818.6593 576.7469 21.55967 558.2971 14.99426 18.44989       26.26114 
1 1 1 5   15 6  o 129.0442 3.349419 815.9177       42.27142 744.3000       81.13326 842.6022       49.52430 123.0198 6.763824 131.1147 3.863088 -8.094940      7.789272 
1 1 1 5   15 7  o 150.6352 3.567434 1111.137       52.60033 1150.000       105.1916 1098.180       60.73939 152.9640 7.044549 149.6824 4.149662 3.281555       8.175901 
1 1 1 5   15 8  o 345.3674 6.624334 5849.335       223.9390 6226.000       466.1582 5736.331       255.3311 354.9637 13.44091 341.9037 7.629459 13.05997       15.45531 
1 1 1 5   15 9  o 323.8027 7.214652 5144.303       228.6662 4665.000       370.1419 5440.135       290.7941 307.3698 12.32772 332.6415 8.939161 -25.27176      15.22765 
1 1 1 5   15 10 o 135.6071 3.406919 901.1008       45.18626 915.3000       87.92461 896.0046       52.67459 136.4437 6.603009 135.1922 3.984900 1.251480       7.712273 
1 1 1 5   15 11 o 101.9462 3.708583 509.7075       36.94544 0.000000       0.000000 509.7075       36.94544 ?        ?        101.9462 3.708583 ?              ?        
1 1 1 5   15 12 o 137.0956 3.404414 920.4986       45.68483 888.7000       86.82865 932.6713       53.72207 134.4162 6.619774 137.9242 3.983468 -3.507950      7.725893 
1 1 1 5   15 13 f 412.5560 7.824127 8362.768       315.9548 9360.000       682.6395 8090.896       356.4310 433.4266 16.11859 405.5423 8.979107 27.88431       18.45083 
1 1 1 5   15 14 o 279.8395 5.509745 3840.629       150.9200 4299.000       322.4720 3712.073       170.7774 294.9001 11.19180 275.0226 6.343893 19.87753       12.86473 
1 1 1 5   15 15 o 102.7087 3.132500 517.1353       31.45551 582.3000       62.22165 494.7636       36.45734 108.7845 5.865124 100.4261 3.715194 8.358391       6.942791 
1 1 1 5   15 16 o 192.2078 4.682311 1811.137       88.09222 1591.000       140.4611 1953.864       113.1002 179.6818 8.006413 199.4644 5.798996 -19.78264      9.885900 
1 1 1 5   15 17 o 67.04485 3.274586 220.7104       21.42459 199.7000       39.91397 229.2140       25.39273 63.43616 6.520845 68.28864 3.814027 -4.852470      7.554351 
1 1 1 5   15 18 o 126.9688 3.747002 790.6544       46.51702 809.6000       78.60753 780.4446       57.70541 128.2406 6.281390 126.0706 4.684385 2.170029       7.835772 
1 1 1 5   15 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   15 20 o 135.9100 3.840557 906.0596       51.04065 870.0513       62.39382 978.9000       88.74150 133.0948 4.797170 140.9917 6.447301 -7.896866      8.036201 
1 1 1 5   15 21 o 237.7655 4.817408 2773.447       112.1162 2764.297       128.3048 2803.000       230.5797 237.2830 5.524206 237.9022 9.923644 -0.6191559     11.35762 
1 1 1 5   15 22 o 203.0496 4.907552 2023.103       97.53788 2067.267       118.6405 1931.000       171.3294 205.0480 5.917327 197.5928 8.881083 7.455185       10.67185 
1 1 1 5   15 23 o 357.7345 7.949637 6309.077       278.3648 6722.964       353.8446 5637.000       450.9010 368.4527 9.820012 335.4564 13.76138 32.99631       16.90586 
1 1 1 5   15 24 o 189.2814 4.663859 1758.221       86.40914 1801.695       105.3789 1669.000       150.9635 191.4067 5.630702 183.6664 8.419629 7.740311       10.12892 
1 1 1 5   15 25 o 153.7342 4.105817 1160.152       61.72874 1223.632       75.19817 1029.000       108.0875 157.7920 4.874582 144.2255 7.684184 13.56647       9.099902 
1 1 1 5   15 26 o 104.6187 3.143848 536.9333       32.15763 551.0999       35.96180 480.4000       71.83897 105.9639 3.471874 98.38449 7.516713 7.579430       8.279787 
1 1 1 5   15 27 o 239.6990 4.868430 2822.967       114.2251 2864.857       132.3951 2701.000       225.9128 241.3178 5.605010 232.8300 9.935627 8.487808       11.40758 
1 1 1 5   15 28 o 91.89456 3.109339 414.5052       27.92789 411.6273       30.52362 429.3000       69.20651 91.54718 3.412287 92.84222 7.684204 -1.295036      8.407776 
1 1 1 5   15 29 o 91.58243 3.444156 412.1086       30.81957 418.7440       34.77240 387.8000       66.55524 92.27185 3.858501 88.11286 7.797185 4.158989       8.699663 
1 1 1 5   15 30 o 148.5747 5.158876 1088.776       74.91119 1074.000       99.62418 1108.000       113.6337 147.1026 6.938471 149.1428 7.811153 -2.040146      10.44780 
1 1 1 5   15 31 o 212.7129 4.469856 2227.234       93.06652 2249.591       128.5739 2202.628       134.8846 213.1384 6.169391 210.7449 6.546754 2.393478       8.995630 
1 1 1 5   15 32 o 86.15324 3.097338 364.9053       26.07710 350.0148       31.82876 395.3079       45.48006 84.26744 3.869137 89.31344 5.225153 -5.045998      6.501727 
1 1 1 5   15 33 o 31.09129 4.945761 48.90462       14.54782 44.39919       16.17623 67.96313       33.27008 29.42835 5.821970 35.99465 9.357504 -6.566294      11.02081 
1 1 1 5   15 34 o 89.23753 3.993277 393.2363       34.79218 402.1000       52.91648 386.4868       46.17648 89.72568 6.060713 88.14845 5.377386 1.577225       8.102377 
1 1 1 5   15 35 o 72.37268 3.189988 258.1576       22.54248 239.0251       26.78112 304.6620       41.75320 69.50094 3.952996 78.11991 5.495429 -8.618973      6.769485 
1 1 1 5   15 36 o 161.3977 4.265779 1288.961       67.33192 1283.164       80.03382 1303.000       124.5553 160.6605 5.095748 160.1193 7.972236 0.5411224      9.461670 
1 1 1 5   15 37 o 89.74499 3.228992 397.2354       28.31881 397.0477       35.34594 397.5721       47.32341 89.52882 4.043831 89.15506 5.448826 0.3737640      6.785446 
1 1 1 5   15 38 o 57.86934 3.992567 166.4342       22.47692 166.8243       24.44467 164.3000       57.18077 57.85589 4.348304 54.92249 11.01995 2.933395       11.84681 
1 1 1 5   15 39 o 115.3560 3.785714 658.7580       42.68797 665.4205       49.45917 639.3000       84.52377 115.7186 4.374415 111.6142 7.785465 4.104385       8.930227 
1 1 1 5   15 40 o 41.38235 5.328454 87.00933       21.08316 67.01000       25.68438 128.3207       36.91441 35.57523 7.606334 49.47242 7.887673 -13.89719      10.95772 
1 1 1 5   15 41 o 35.33072 6.247676 64.81847       20.81591 44.86000       25.14378 108.2963       37.11082 29.02780 8.382620 44.93795 8.751695 -15.91015      12.11860 
1 1 1 5   15 42 o 61.35184 4.417689 188.6525       26.35187 203.4000       35.43658 170.4083       39.41431 63.19704 5.792984 57.19322 7.199672 6.003815       9.240884 
1 1 1 5   15 43 f 29.76908 8.574178 48.23000       26.33834 48.23000       26.33834 0.000000       0.000000 29.76908 8.574178 ?        ?        ?              ?        
1 1 1 5   15 44 o 32.24081 7.742485 56.67386       24.12558 54.56000       33.66916 58.90451       34.58678 31.30599 9.850367 32.37985 9.951445 -1.073858      14.00218 
1 1 1 5   15 45 o 54.97581 4.890146 153.7148       26.04045 120.3000       36.57000 188.0848       37.08902 46.97214 8.255005 60.08543 6.404850 -13.11330      10.44831 
1 1 1 5   15 46 o 19.55947 7.676847 13.98103       21.45511 -31.82000      29.41337 66.06088       31.36477 15.19442 7.228426 34.12561 9.187339 -18.93118      11.69005 
1 1 1 5   15 47 o 41.92219 4.584169 89.64906       18.50468 84.55116       22.61353 99.98142       32.19382 40.16442 5.930151 42.68511 7.999147 -2.520683      9.957562 
1 1 1 5   15 48 o 37.29684 5.641601 72.86584       19.95308 56.05134       23.04609 123.2000       39.87371 31.87006 7.511405 46.66410 9.056372 -14.79404      11.76601 
1 1 1 5   15 49 o 51.70028 4.417306 135.9945       22.14012 143.7453       26.48255 118.0000       40.35096 52.78896 5.192323 45.25161 9.416753 7.537354       10.75339 
1 1 1 5   15 50 o 14.36576 6.513648 -8.307594      19.79610 -12.52362      21.49465 15.25000       50.80945 14.40311 6.627125 25.46239 11.03689 -11.05928      12.87369 
1 1 1 5   15 51 o 46.41313 4.428093 110.2237       19.87348 125.5679       26.32388 89.88652       30.30554 48.95817 5.593367 39.96168 8.026657 8.996490       9.783300 
1 1 1 5   15 52 o 30.35364 6.355094 50.14592       18.27511 67.73582       24.23862 26.97453       27.81969 34.89131 7.330584 23.46331 8.861594 11.42800       11.50067 
1 1 1 5   15 53 o 44.46495 4.660114 101.9195       19.98151 117.8368       27.35124 83.70103       29.26164 47.05427 6.080444 38.40894 8.041545 8.645332       10.08158 
1 1 1 5   15 54 o 40.53357 5.010684 85.60641       19.45722 93.67549       26.95103 76.82250       28.11948 41.37867 6.896772 36.70625 8.048596 4.672417       10.59931 
1 1 1 5   15 55 o 23.17651 7.348171 29.48674       18.70375 30.10431       25.92579 28.81645       27.00968 23.88815 8.636972 23.69217 8.775209 0.1959743      12.31266 
1 1 1 5   15 56 o 64.91409 3.781052 213.2282       23.92070 223.0383       33.20559 202.6452       34.48885 65.43684 5.227650 61.96780 5.751641 3.469048       7.772367 
1 1 1 5   15 57 o 16.87757 6.922519 8.122671       18.27428 10.79456       26.51050 5.703643       25.22488 19.66536 8.225520 18.40237 7.874058 1.262989       11.38683 
1 1 1 5   15 58 o 30.56120 7.266743 53.09225       21.41805 62.80803       28.36738 40.21000       32.66453 32.40264 8.743322 26.45516 9.675462 5.947474       13.04072 
1 1 1 5   15 59 o 18.88530 7.846503 11.14374       23.88869 10.42033       27.95890 13.10000       45.97689 19.68986 8.352715 23.35653 10.30125 -3.666666      13.26211 
1 1 1 5   16 0  o 579.5881 10.83037 16524.49       614.4249 15750.00       1187.111 16807.88       718.0926 561.1943 21.65146 584.0248 12.56154 -22.83051      25.03155 
1 1 1 5   16 1  o 179.1591 4.552253 1573.357       79.76633 1574.000       138.9292 1573.041       97.42459 178.9119 7.953068 179.0726 5.564944 -0.1606598     9.706694 
1 1 1 5   16 2  f 329.6028 9.017775 5340.000       290.6620 5340.000       410.6453 5340.000       411.4722 328.8872 12.78030 328.8814 12.80636 0.5767822E-02  18.09251 
1 1 1 5   16 3  o 318.1496 8.753783 4974.662       272.3457 0.000000       0.000000 4974.662       272.3457 ?        ?        318.1496 8.753783 ?              ?        
1 1 1 5   16 4  o 517.7462 11.23020 13195.91       569.1289 0.000000       0.000000 13195.91       569.1289 ?        ?        517.7462 11.23020 ?              ?        
1 1 1 5   16 5  o 362.5823 6.931683 6448.897       246.0093 7118.000       525.9417 6261.504       278.3349 379.2865 14.19158 357.1449 7.961905 22.14166       16.27245 
1 1 1 5   16 6  o 286.7038 5.626791 4029.244       157.9066 4073.000       316.0658 4014.690       182.2864 287.3652 11.25844 286.1097 6.509017 1.255463       13.00461 
1 1 1 5   16 7  o 491.0314 9.227242 11852.38       443.4936 12740.00       932.8585 11593.18       504.1061 505.2228 18.89699 485.2888 10.61245 19.93402       21.67303 
1 1 1 5   16 8  o 102.3292 4.600089 514.1034       45.95792 494.2000       62.16098 538.1000       68.25414 100.1757 6.372453 104.5143 6.707264 -4.338676      9.251786 
1 1 1 5   16 9  f 187.9169 5.756504 1733.183       105.7592 1662.000       143.8196 1817.000       156.0616 183.7657 8.014811 192.1191 8.318592 -8.353409      11.55146 
1 1 1 5   16 10 o 59.24607 4.696449 173.0975       27.01283 183.6000       40.48321 164.6685       36.26735 60.76931 6.929569 57.56069 6.553583 3.208618       9.537734 
1 1 1 5   16 11 o 264.4138 5.240794 3427.871       135.6399 3509.000       273.6354 3401.442       156.1779 266.6013 10.50642 263.3130 6.059559 3.288300       12.12861 
1 1 1 5   16 12 f 249.6723 4.999859 3056.114       122.1896 3252.000       252.0781 2995.952       139.6989 256.6819 10.05250 247.1311 5.775097 9.550812       11.59330 
1 1 1 5   16 13 o 136.7703 3.402453 916.2745       45.55018 870.5000       85.74721 934.2695       53.76319 132.9926 6.607672 138.0280 3.983513 -5.035370      7.715549 
1 1 1 5   16 14 o 251.4020 5.032063 3099.237       123.8286 3175.000       248.9430 3074.329       142.7401 253.5298 10.05139 250.3073 5.825942 3.222443       11.61775 
1 1 1 5   16 15 o 147.2009 3.494669 1061.514       50.35267 1149.000       101.4156 1032.892       58.00748 152.7875 6.798285 145.1191 4.087767 7.668396       7.932624 
1 1 1 5   16 16 o 154.2419 3.589933 1165.647       54.19946 1117.000       102.9014 1184.324       63.76081 150.5929 7.000038 155.3846 4.196018 -4.791672      8.161318 
1 1 1 5   16 17 f 229.3811 4.694029 2580.263       105.3924 2716.000       213.6295 2536.599       121.1637 234.4635 9.327109 227.3532 5.444591 7.110352       10.79993 
1 1 1 5   16 18 o 70.74300 3.888847 246.0257       26.82481 297.6000       42.62281 212.2000       34.51827 77.65665 5.645907 65.53094 5.430125 12.12572       7.833423 
1 1 1 5   16 19 o 226.3190 6.456469 2519.375       142.8822 2459.000       199.4682 2583.000       204.7680 223.0250 9.156692 228.5846 9.170464 -5.559647      12.95926 
1 1 1 5   16 20 o 134.2562 3.406651 883.8047       44.73189 910.6923       63.07413 856.5970       63.44841 136.1669 4.739542 132.0373 4.917873 4.129517       6.829988 
1 1 1 5   16 21 o 198.2459 4.839867 1928.451       93.91692 2018.895       115.6169 1753.000       161.0306 202.6398 5.835026 188.2609 8.762639 14.37892       10.52765 
1 1 1 5   16 22 f 201.7751 4.893772 1998.183       96.65348 2001.337       115.9508 1991.000       174.9671 201.7241 5.878592 200.5616 8.934989 1.162476       10.69541 
1 1 1 5   16 23 o 226.6111 4.654328 2520.186       103.2391 2587.928       120.3956 2332.000       200.6651 229.5340 5.358674 216.8523 9.476577 12.68170       10.88673 
1 1 1 5   16 24 o 174.6301 3.869516 1495.557       66.14270 1564.385       77.00997 1302.000       129.1424 178.5491 4.406391 162.1682 8.161980 16.38094       9.275462 
1 1 1 5   16 25 o 172.1900 4.376306 1456.173       73.70041 1516.045       89.60935 1331.000       129.5676 175.5679 5.220170 163.9145 8.100661 11.65341       9.636954 
1 1 1 5   16 26 o 164.5426 3.732232 1328.116       60.11089 1350.882       68.83566 1255.000       123.3630 165.8370 4.244073 159.1101 7.946163 6.726837       9.008533 
1 1 1 5   16 27 o 298.8982 5.878173 4400.537       171.9776 4521.817       201.3984 4074.000       330.4664 302.6630 6.798147 284.5706 11.89020 18.09241       13.69641 
1 1 1 5   16 28 o 79.07928 3.144327 307.1819       24.29014 312.0935       26.38621 279.9000       62.18726 79.68639 3.390630 74.55052 8.684482 5.135872       9.322907 
1 1 1 5   16 29 f 124.3004 3.290308 758.7137       39.99752 796.4578       45.16489 621.5000       86.11434 127.3112 3.628032 111.5588 7.938015 15.75242       8.727812 
1 1 1 5   16 30 o 136.1913 3.839279 912.2886       51.12952 898.5862       58.98503 953.7000       102.5425 135.0451 4.468432 138.2624 7.606236 -3.217331      8.821662 
1 1 1 5   16 31 o 125.6738 3.713800 777.1761       45.63443 769.0361       52.19218 803.6000       94.03557 124.9035 4.275287 126.7111 7.616951 -1.807526      8.734759 
1 1 1 5   16 32 o 87.39884 3.086064 375.6582       26.35935 369.9488       31.98409 387.7463       46.53947 86.62617 3.781168 88.35957 5.406870 -1.733398      6.597839 
1 1 1 5   16 33 o 114.0919 3.199126 640.3860       35.69136 627.2689       45.23069 662.0321       58.10373 112.7272 4.106053 115.5332 5.150912 -2.806061      6.587228 
1 1 1 5   16 34 o 139.8457 3.448933 962.7486       47.21065 931.7849       61.25099 1008.068       74.10136 137.2040 4.567155 142.4311 5.324518 -5.227112      7.014941 
1 1 1 5   16 35 o 106.5792 3.465136 560.2590       36.10118 531.2669       40.82243 664.3000       77.33241 103.6398 4.031767 114.7820 6.915128 -11.14226      8.004633 
1 1 1 5   16 36 o 51.88657 3.867610 133.6811       19.50153 135.7112       20.83262 119.3000       55.44627 52.23367 4.107649 46.48551 12.07770 5.748158       12.75710 
1 1 1 5   16 37 o 38.11478 4.869699 73.33657       17.75337 70.45278       18.80535 96.97000       53.83479 37.23960 5.309225 41.86066 12.31676 -4.621063      13.41233 
1 1 1 5   16 38 o 48.80173 3.898015 118.5645       18.46556 112.4339       20.99383 139.5180       38.81213 47.35995 4.586028 51.71996 7.918223 -4.360008      9.150405 
1 1 1 5   16 39 o 137.5238 3.511842 935.0566       47.23494 888.2228       60.87383 1005.924       74.88143 133.5182 4.665000 141.6711 5.409854 -8.152832      7.143441 
1 1 1 5   16 40 o 21.21123 6.688271 22.70686       15.51444 21.06579       17.21741 29.79314       35.77785 20.90786 7.074934 26.52361 10.04224 -5.615749      12.28419 
1 1 1 5   16 41 o 123.4037 3.442725 754.2122       41.54439 741.1637       53.83846 773.4172       65.31635 121.8098 4.523339 123.9077 5.398346 -2.097893      7.042921 
1 1 1 5   16 42 o 38.46654 10.01702 83.00479       38.08230 0.000000       0.000000 83.00479       38.08230 ?        ?        38.46654 10.01702 ?              ?        
1 1 1 5   16 43 o 19.32711 6.605999 18.08499       15.01542 9.024448       16.65875 57.33144       34.67094 16.97675 6.732955 32.06982 9.981935 -15.09307      12.04042 
1 1 1 5   16 44 o 53.54557 5.026650 146.0704       26.03754 156.1000       30.51235 119.2000       49.94270 55.04429 5.747743 44.91949 11.35479 10.12480       12.72666 
1 1 1 5   16 45 o 22.54071 7.310054 26.43420       18.43447 27.43000       22.42537 24.35897       32.37327 23.30284 8.068928 24.17959 9.447699 -0.8767509     12.42444 
1 1 1 5   16 46 o 22.46422 7.307222 26.34444       18.41247 34.18000       22.84298 11.81130       31.10982 25.23614 8.133409 21.48943 8.943487 3.746706       12.08877 
1 1 1 5   16 47 o 45.68517 5.374947 107.9468       23.57627 105.0000       28.74775 114.0000       41.20224 44.33956 6.843821 44.47456 9.735341 -0.1349983     11.90020 
1 1 1 5   16 48 o 51.69748 8.800123 149.9000       42.93730 0.000000       0.000000 149.9000       42.93730 ?        ?        51.69748 8.800123 ?              ?        
1 1 1 5   16 49 o 18.49622 8.067346 0.7301865      27.50089 -20.14000      31.92754 60.73000       54.13489 17.07348 7.933026 32.34787 12.32797 -15.27439      14.65987 
1 1 1 5   16 50 o 25.95532 7.963164 37.62121       22.15864 7.143000       33.06260 62.47460       29.85624 20.85031 8.969646 32.71371 9.028910 -11.86340      12.72697 
1 1 1 5   16 51 o 32.13786 7.428646 57.84148       22.90065 21.49000       35.59944 83.50399       29.91105 23.60553 9.669748 38.29398 8.225351 -14.68845      12.69490 
1 1 1 5   16 52 o 39.94754 6.155108 85.37946       23.29568 123.2000       38.86082 64.16467       29.10500 46.20145 8.916094 33.14644 8.817573 13.05501       12.53979 
1 1 1 5   16 53 o 44.70680 4.631270 103.0183       19.97337 95.52081       27.02731 112.0400       29.64738 41.84359 6.834552 45.33720 6.897944 -3.493610      9.710444 
1 1 1 5   16 54 o 22.78640 7.258252 28.36195       18.23093 30.38508       25.22042 26.14787       26.38376 23.89185 8.533424 22.98290 8.640806 0.9089432      12.14425 
1 1 1 5   16 55 o 36.16509 5.714425 69.69517       19.55752 69.22790       26.68645 70.23731       28.74516 34.77433 8.005923 34.71779 8.522769 0.5653763E-01  11.69326 
1 1 1 5   16 56 o 42.93896 4.910463 95.99187       20.26789 105.8206       28.05038 85.25484       29.31787 44.02829 6.721498 38.60812 8.020331 5.420174       10.46443 
1 1 1 5   16 57 o 29.19217 7.271533 48.38218       20.69971 45.78288       26.80820 52.22000       32.57483 27.85809 8.792850 29.32221 9.728930 -1.464113      13.11359 
1 1 1 5   16 58 f 41.88942 6.270714 95.58562       24.92187 78.46597       28.53728 150.6000       51.15678 36.61881 8.169407 48.08479 11.09459 -11.46598      13.77785 
1 1 1 5   16 59 o 33.89024 6.180923 63.19116       19.74855 54.83197       28.23035 71.20235       27.63647 29.90595 8.949412 34.60825 8.271138 -4.702299      12.18621 
1 1 1 5   17 0  f 347.1952 9.455996 5931.815       321.0573 0.000000       0.000000 5931.815       321.0573 ?        ?        347.1952 9.455996 ?              ?        
1 1 1 5   17 1  o 250.5660 5.804305 3078.201       142.3569 3130.000       248.6633 3052.948       173.6245 252.0104 10.10108 249.3228 7.121772 2.687607       12.35927 
1 1 1 5   17 2  o 221.5003 5.272314 2404.769       114.3093 0.000000       0.000000 2404.769       114.3093 ?        ?        221.5003 5.272314 ?              ?        
1 1 1 5   17 3  o 334.9333 7.459442 5506.992       244.5518 5302.000       411.7549 5618.711       303.9724 327.4124 12.87315 337.9233 9.198435 -10.51089      15.82179 
1 1 1 5   17 4  o 341.4185 7.594540 5723.397       253.8018 5614.000       432.4657 5780.870       313.4594 336.8090 13.14305 342.7173 9.352875 -5.908325      16.13121 
1 1 1 5   17 5  o 390.5219 7.437263 7487.853       284.2921 8228.000       605.8023 7278.818       321.9439 407.0223 15.23258 384.8353 8.546714 22.18704       17.46648 
1 1 1 5   17 6  o 247.8029 4.975753 3009.776       120.6900 3008.000       240.3085 3010.375       139.5689 246.9819 9.960696 247.7654 5.754952 -0.7835236     11.50369 
1 1 1 5   17 7  o 132.7556 4.822917 864.9338       62.56715 933.8000       90.02821 800.6000       87.01530 137.7760 6.695780 127.5145 6.998393 10.26154       9.685607 
1 1 1 5   17 8  o 210.8409 4.402237 2178.397       90.85199 2236.000       182.4081 2159.393       104.7724 213.0327 8.766386 209.8737 5.100146 3.158997       10.14204 
1 1 1 5   17 9  o 140.6217 3.450677 968.5804       47.49665 888.5000       89.86457 999.6224       55.95010 134.3486 6.856263 142.7811 4.007318 -8.432404      7.941470 
1 1 1 5   17 10 o 147.9039 3.541599 1071.582       51.27259 1018.000       97.57857 1092.018       60.26220 143.8085 6.952683 149.2266 4.129622 -5.418137      8.086630 
1 1 1 5   17 11 o 230.9000 4.697457 2613.578       106.1678 2693.000       214.2067 2587.714       122.2382 233.6261 9.386214 229.6909 5.436971 3.935242       10.84720 
1 1 1 5   17 12 o 43.25910 4.113017 92.53162       17.20654 89.41000       34.95384 93.52999       19.76751 41.83989 8.813633 43.42301 4.726989 -1.583118      10.00123 
1 1 1 5   17 13 o 18.23965 6.118344 15.28223       12.87696 18.34000       29.93242 14.58780       14.26441 23.75603 9.138468 18.35805 6.430438 5.397980       11.17417 
1 1 1 5   17 14 o 153.0123 3.563521 1147.113       53.37182 1169.000       104.6826 1139.425       62.04102 154.0724 6.959308 152.4117 4.162566 1.660645       8.109188 
1 1 1 5   17 15 o 91.44848 3.018933 410.0724       26.98612 478.2000       54.79605 388.2578       31.00705 98.53848 5.705563 88.94527 3.568733 9.593201       6.729733 
1 1 1 5   17 16 o 236.1856 4.790710 2736.125       110.7540 2659.000       214.5827 2764.131       129.3091 231.9066 9.473063 237.3002 5.567044 -5.393631      10.98776 
1 1 1 5   17 17 o 317.5065 7.113788 4958.722       221.0853 4806.000       372.5593 5041.737       274.6773 310.8095 12.27013 319.6132 8.788289 -8.803711      15.09272 
1 1 1 5   17 18 o 328.0789 7.352087 5297.467       236.0995 5195.000       399.0925 5352.637       292.8409 322.8896 12.65187 329.1721 9.097439 -6.282562      15.58311 
1 1 1 5   17 19 o 93.81242 4.641959 432.7789       42.49295 441.7000       53.04491 416.8000       70.99151 94.65768 5.752235 91.62537 7.995625 3.032303       9.849783 
1 1 1 5   17 20 f 120.4734 3.677122 712.0760       43.31085 615.0000       66.86647 782.2408       56.84755 111.6934 6.139716 126.1892 4.610140 -14.49574      7.677858 
1 1 1 5   17 21 o 100.1299 7.967138 497.5000       77.44244 0.000000       0.000000 497.5000       77.44244 ?        ?        100.1299 7.967138 ?              ?        
1 1 1 5   17 22 o 288.4640 8.153656 4111.094       229.9928 4313.000       335.4561 3932.000       315.9385 294.0282 11.67899 280.7936 11.51946 13.23453       16.40417 
1 1 1 5   17 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   17 24 o 202.7391 6.243244 2025.540       123.7474 2101.000       178.0303 1955.000       172.1293 205.7751 8.859590 198.4764 8.882627 7.298706       12.54565 
1 1 1 5   17 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   17 26 o 183.0674 5.932019 1652.782       106.1564 1679.000       150.7596 1627.000       149.5038 183.8164 8.401258 180.9207 8.465719 2.895691       11.92684 
1 1 1 5   17 27 o 93.34153 5.315407 430.3573       48.36361 501.3000       69.04018 362.0000       67.77045 100.4294 7.068340 85.00365 8.248677 15.42577       10.86288 
1 1 1 5   17 28 f 41.10530 8.759301 87.33953       34.16425 105.6000       44.25665 60.41000       53.74488 45.00836 10.27278 36.01821 12.49047 8.990150       16.17225 
1 1 1 5   17 29 o 118.1812 5.196675 690.0925       59.96764 729.6000       83.25724 647.5000       86.44675 121.0469 7.057482 113.7877 7.808871 7.259285       10.52552 
1 1 1 5   17 30 o 44.67860 12.58255 105.8000       57.35521 0.000000       0.000000 105.8000       57.35521 ?        ?        44.67860 12.58255 ?              ?        
1 1 1 5   17 31 o 136.0851 7.771761 929.8000       103.0924 0.000000       0.000000 929.8000       103.0924 ?        ?        136.0851 7.771761 ?              ?        
1 1 1 5   17 32 o 122.3281 3.276494 736.2666       39.19679 770.1408       51.04860 687.6078       61.18281 124.9062 4.181252 117.6999 5.324429 7.206223       6.769964 
1 1 1 5   17 33 f 84.30103 3.066135 349.8545       25.25843 352.7974       30.51152 343.4457       45.02593 84.54389 3.695949 82.96694 5.576752 1.576950       6.690307 
1 1 1 5   17 34 o 88.63227 3.282904 387.2884       28.43186 371.9940       31.83872 447.5000       63.17290 86.76366 3.757877 94.15219 6.902765 -7.388527      7.859377 
1 1 1 5   17 35 o 117.6879 3.222656 682.6099       37.08883 651.8189       46.67082 735.3839       61.10028 114.7336 4.162643 121.5075 5.148959 -6.773941      6.621131 
1 1 1 5   17 36 f 76.83689 3.457776 291.8065       25.93932 295.1862       28.44228 275.1000       63.23692 77.20921 3.774917 72.53827 9.106474 4.670937       9.857883 
1 1 1 5   17 37 f 58.12241 3.404716 167.2635       19.28523 138.7653       21.85357 267.5775       41.00105 52.73878 4.269853 72.85561 5.797216 -20.11683      7.199955 
1 1 1 5   17 38 o 74.15668 3.237803 271.7815       23.44547 247.5118       27.29935 339.9987       45.76852 70.58745 3.967068 82.14899 5.727797 -11.56154      6.967445 
1 1 1 5   17 39 o 77.89866 3.264797 300.1273       24.83868 286.3126       29.46930 334.0195       46.15800 75.88756 3.981206 81.27692 5.840892 -5.389366      7.068665 
1 1 1 5   17 40 o 34.93808 5.074218 62.31004       16.84597 70.24025       18.87904 31.32506       37.31755 37.05173 5.361176 26.99846 10.24821 10.05327       11.56581 
1 1 1 5   17 41 o 46.97755 8.735862 119.3914       38.69192 0.000000       0.000000 119.3914       38.69192 ?        ?        46.97755 8.735862 ?              ?        
1 1 1 5   17 42 o 23.14044 6.595115 28.28611       15.66229 32.92189       17.52947 9.936850       34.87516 24.86037 6.939982 22.37884 9.402258 2.481535       11.68614 
1 1 1 5   17 43 o 43.85802 4.192962 97.09605       17.78127 102.3999       20.52879 81.16420       35.57943 44.86306 4.746765 37.83451 9.594898 7.028542       10.70485 
1 1 1 5   17 44 o 56.18538 3.619214 157.9005       19.79829 146.4258       23.12132 189.4364       38.33055 53.80791 4.429137 60.12770 6.622279 -6.319794      7.966921 
1 1 1 5   17 45 o 41.37809 4.811121 87.64915       19.12307 86.32648       21.18798 93.46000       44.41032 40.81796 5.438320 39.56877 11.04640 1.249195       12.31252 
1 1 1 5   17 46 o 55.15131 3.987197 153.1907       21.37902 163.1023       24.46778 121.2000       43.95779 56.72639 4.441996 45.68784 10.09844 11.03855       11.03222 
1 1 1 5   17 47 o 15.65441 6.500945 4.826126       16.38672 7.071281       18.43191 -3.640000      35.79229 16.91182 6.946163 20.20671 8.991054 -3.294886      11.36170 
1 1 1 5   17 48 o 24.16355 7.428837 31.76977       19.27231 43.08600       20.65068 -44.61000      53.65037 27.87210 7.433168 20.49455 9.753417 7.377548       12.26300 
1 1 1 5   17 49 o 35.87281 5.294551 67.35919       18.03283 76.00563       21.97735 49.54362       31.54688 37.73991 6.161750 29.29877 9.567114 8.441145       11.37967 
1 1 1 5   17 50 o 18.80226 6.919996 16.32166       16.75042 20.61258       20.50436 7.713058       29.04273 20.76810 7.654047 19.92547 8.485084 0.8426266      11.42721 
1 1 1 5   17 51 o 46.89458 5.168250 114.4790       23.33020 133.2000       33.66908 97.18783       32.35775 49.34049 7.182083 41.31036 8.290751 8.030132       10.96900 
1 1 1 5   17 52 o 23.31256 7.678690 29.61457       20.30350 38.81000       30.72966 22.49035       27.04833 26.40846 9.420881 22.27899 8.655474 4.129469       12.79337 
1 1 1 5   17 53 o 17.86921 7.772636 1.998107       25.38124 -11.05000      30.40207 32.01000       46.10798 17.46671 7.978616 26.56583 10.95652 -9.099123      13.55373 
1 1 1 5   17 54 o 30.62266 7.261292 52.68771       21.43281 49.20000       33.25179 55.16658       28.03312 28.84409 9.831176 30.59494 8.855970 -1.750843      13.23179 
1 1 1 5   17 55 o 46.33183 5.264025 112.5516       23.45009 138.5000       37.13932 95.34777       30.24062 49.53622 7.926723 41.02814 7.815441 8.508083       11.13167 
1 1 1 5   17 56 o 28.55596 8.128142 47.30146       23.80502 44.58000       34.59078 49.75000       32.81049 27.66508 9.979934 28.82018 9.766530 -1.155100      13.96367 
1 1 1 5   17 57 o 39.96438 8.146425 92.58363       30.78521 139.9000       39.54654 19.81000       49.04445 48.97610 8.560811 24.82368 10.80102 24.15242       13.78222 
1 1 1 5   17 58 o 24.46982 7.929281 34.50036       21.69242 23.80000       37.99048 39.67677       26.42348 23.63766 9.863904 25.92719 8.764667 -2.289524      13.19530 
1 1 1 5   18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 1  o 212.0761 6.279413 2208.733       130.2083 0.000000       0.000000 2208.733       130.2083 ?        ?        212.0761 6.279413 ?              ?        
1 1 1 5   18 2  o 443.4292 9.690176 9682.388       420.5931 0.000000       0.000000 9682.388       420.5931 ?        ?        443.4292 9.690176 ?              ?        
1 1 1 5   18 3  o 528.2349 9.924785 13745.51       513.1619 14080.00       1042.019 13638.42       589.6177 528.9250 20.16375 525.6042 11.46055 3.320801       23.19312 
1 1 1 5   18 4  o 302.2990 6.841643 4486.657       202.4433 5434.000       397.8592 4155.690       235.1623 331.3034 12.28997 290.6073 8.275562 40.69617       14.81648 
1 1 1 5   18 5  o 179.1864 5.665882 1576.462       99.25048 0.000000       0.000000 1576.462       99.25048 ?        ?        179.1864 5.665882 ?              ?        
1 1 1 5   18 6  o 158.1317 3.670428 1224.984       56.81224 1264.000       113.9070 1212.065       65.54702 160.2417 7.281235 157.2118 4.263465 3.029907       8.437626 
1 1 1 5   18 7  o 157.0511 5.089076 1210.688       78.12904 0.000000       0.000000 1210.688       78.12904 ?        ?        157.0511 5.089076 ?              ?        
1 1 1 5   18 8  o 129.0597 4.006554 816.9524       50.55237 1022.000       92.41213 729.3910       60.38903 144.1254 6.567880 121.8567 5.074036 22.26867       8.299572 
1 1 1 5   18 9  o 321.2516 6.220706 5066.018       195.6101 5489.000       411.7148 4942.702       222.3029 332.6014 12.66954 317.1636 7.160701 15.43781       14.55311 
1 1 1 5   18 10 o 169.2760 3.803102 1404.006       63.01435 1469.000       126.7124 1382.651       72.63254 172.6991 7.513865 167.8915 4.423589 4.807556       8.719307 
1 1 1 5   18 11 o 101.4865 3.895995 505.4547       38.63007 565.9000       63.66539 470.2335       48.59865 107.1923 6.092924 97.78267 5.095149 9.409637       7.942560 
1 1 1 5   18 12 o 110.7994 3.228265 601.8917       34.97433 572.1000       65.94326 613.5518       41.25470 107.7494 6.279653 111.8325 3.774173 -4.083145      7.326556 
1 1 1 5   18 13 f 326.8287 6.317855 5246.957       202.1138 5219.000       400.5747 5256.505       234.0969 323.9407 12.65751 326.9223 7.315516 -2.981567      14.61949 
1 1 1 5   18 14 o 170.4285 3.798912 1423.518       63.37348 1474.000       126.2689 1406.520       73.27009 172.9210 7.477737 169.3086 4.425007 3.612427       8.688914 
1 1 1 5   18 15 o 107.9513 3.168353 571.3990       33.44241 497.6000       61.63036 602.1972       39.81369 100.4391 6.300560 110.7900 3.676439 -10.35096      7.294742 
1 1 1 5   18 16 o 271.1846 6.176273 3613.431       163.9448 3772.000       290.8240 3539.567       198.4895 275.7542 10.79548 268.0281 7.573324 7.726135       13.18702 
1 1 1 5   18 17 o 215.3329 4.489308 2274.257       94.62286 2499.000       196.0593 2206.012       108.0382 224.8310 8.926662 211.9983 5.206414 12.83273       10.33402 
1 1 1 5   18 18 o 100.2586 3.527479 493.2405       34.56327 494.8000       57.08517 492.3379       43.42833 100.1886 5.846416 100.0897 4.443874 0.9896851E-01  7.343609 
1 1 1 5   18 19 o 124.7264 3.767423 763.3339       45.94209 751.2000       74.54111 770.7666       58.34019 123.4590 6.188044 125.2360 4.767892 -1.776932      7.811830 
1 1 1 5   18 20 o 128.7968 3.733903 813.9750       47.02358 791.0000       76.42884 827.9697       59.65004 126.6775 6.182517 129.8025 4.702619 -3.125046      7.767763 
1 1 1 5   18 21 o 316.0191 8.844664 4943.297       273.3214 5578.000       418.4463 4471.000       360.9626 333.6588 12.83635 298.9245 12.36326 34.73438       17.82196 
1 1 1 5   18 22 o 50.04266 7.177556 125.9187       34.15280 99.78000       44.56915 163.1000       53.15631 43.94417 10.50452 56.52771 9.971318 -12.58353      14.48351 
1 1 1 5   18 23 f 78.29782 5.427206 302.8640       41.33674 277.4000       55.34163 335.0000       62.17039 74.55256 7.694135 81.97184 7.843985 -7.419281      10.98762 
1 1 1 5   18 24 o 203.3935 6.291125 2040.469       125.0976 2335.000       190.7038 1818.000       165.7407 216.7254 9.009306 191.2324 8.878684 25.49301       12.64906 
1 1 1 5   18 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   18 26 o 105.3113 5.233779 547.3756       53.78160 582.2000       74.46411 509.4000       77.76026 108.2523 7.066168 101.0279 7.926834 7.224396       10.61911 
1 1 1 5   18 27 o 126.8316 5.261796 794.0932       65.18136 840.7000       90.56224 744.0000       93.88843 130.0443 7.142006 122.0992 7.898222 7.945084       10.64848 
1 1 1 5   18 28 f 142.2243 5.379510 999.6024       74.75481 977.3000       101.5363 1026.000       110.4658 140.0141 7.435386 143.3002 7.906081 -3.286118      10.85316 
1 1 1 5   18 29 o 150.1633 5.495279 1116.066       80.63558 1227.000       115.9020 1012.000       112.2572 156.6801 7.579864 142.0427 8.107677 14.63739       11.09904 
1 1 1 5   18 30 o 45.62950 12.63154 111.5000       58.33787 0.000000       0.000000 111.5000       58.33787 ?        ?        45.62950 12.63154 ?              ?        
1 1 1 5   18 31 o 154.2688 8.143460 1201.000       122.5328 0.000000       0.000000 1201.000       122.5328 ?        ?        154.2688 8.143460 ?              ?        
1 1 1 5   18 32 o 76.64779 5.873881 293.9342       43.73300 0.000000       0.000000 293.9342       43.73300 ?        ?        76.64779 5.873881 ?              ?        
1 1 1 5   18 33 o 57.24821 8.719307 170.4000       47.31880 0.000000       0.000000 170.4000       47.31880 ?        ?        57.24821 8.719307 ?              ?        
1 1 1 5   18 34 o 49.99433 7.532144 128.9827       35.71579 0.000000       0.000000 128.9827       35.71579 ?        ?        49.99433 7.532144 ?              ?        
1 1 1 5   18 35 o 69.56469 9.226472 253.6000       61.27713 0.000000       0.000000 253.6000       61.27713 ?        ?        69.56469 9.226472 ?              ?        
1 1 1 5   18 36 o 128.2282 5.388548 822.6555       67.48268 0.000000       0.000000 822.6555       67.48268 ?        ?        128.2282 5.388548 ?              ?        
1 1 1 5   18 37 o 55.08837 7.491014 157.2294       39.34751 0.000000       0.000000 157.2294       39.34751 ?        ?        55.08837 7.491014 ?              ?        
1 1 1 5   18 38 o 84.60845 5.871901 361.8998       48.32765 0.000000       0.000000 361.8998       48.32765 ?        ?        84.60845 5.871901 ?              ?        
1 1 1 5   18 39 o 54.50031 7.653629 155.3624       39.70581 0.000000       0.000000 155.3624       39.70581 ?        ?        54.50031 7.653629 ?              ?        
1 1 1 5   18 40 o 50.84912 8.211615 137.7861       39.47911 0.000000       0.000000 137.7861       39.47911 ?        ?        50.84912 8.211615 ?              ?        
1 1 1 5   18 41 o 68.97966 6.387002 245.4136       42.63486 0.000000       0.000000 245.4136       42.63486 ?        ?        68.97966 6.387002 ?              ?        
1 1 1 5   18 42 f 59.02725 7.093531 183.5686       40.16438 0.000000       0.000000 183.5686       40.16438 ?        ?        59.02725 7.093531 ?              ?        
1 1 1 5   18 43 o 43.87539 8.440724 105.8898       34.93399 0.000000       0.000000 105.8898       34.93399 ?        ?        43.87539 8.440724 ?              ?        
1 1 1 5   18 44 f 18.08628 8.247169 -13.79825      32.29998 0.000000       0.000000 -13.79825      32.29998 ?        ?        18.08628 8.247169 ?              ?        
1 1 1 5   18 45 o 28.29217 10.48866 41.48000       38.60346 0.000000       0.000000 41.48000       38.60346 ?        ?        28.29217 10.48866 ?              ?        
1 1 1 5   18 46 o 40.17201 10.51924 96.14000       41.84370 0.000000       0.000000 96.14000       41.84370 ?        ?        40.17201 10.51924 ?              ?        
1 1 1 5   18 47 o 48.35084 12.83531 151.4000       61.75252 0.000000       0.000000 151.4000       61.75252 ?        ?        48.35084 12.83531 ?              ?        
1 1 1 5   18 48 o 70.72860 4.074936 252.7848       28.09181 266.2000       39.43570 238.9645       40.02654 71.54985 5.677371 67.44527 6.129936 4.104584       8.355158 
1 1 1 5   18 49 o 11.74912 5.382754 -8.184991      13.97309 -16.69125      15.87990 20.99116       29.40983 11.35256 5.374620 22.46995 8.934883 -11.11740      10.42683 
1 1 1 5   18 50 o 17.31047 6.483181 13.06465       14.82238 17.83346       17.18906 -0.7646942     29.27168 19.31989 7.025946 18.59013 8.208391 0.7297649      10.80470 
1 1 1 5   18 51 o 26.94624 9.172360 41.17905       28.94309 0.000000       0.000000 41.17905       28.94309 ?        ?        26.94624 9.172360 ?              ?        
1 1 1 5   18 52 o 31.81706 8.656354 59.22890       27.66992 0.000000       0.000000 59.22890       27.66992 ?        ?        31.81706 8.656354 ?              ?        
1 1 1 5   18 53 o 28.90030 8.898962 48.96439       27.64164 0.000000       0.000000 48.96439       27.64164 ?        ?        28.90030 8.898962 ?              ?        
1 1 1 5   18 54 o 11.72584 5.806310 -51.64508      24.88187 0.000000       0.000000 -51.64508      24.88187 ?        ?        11.72584 5.806310 ?              ?        
1 1 1 5   18 55 o 25.37609 9.638097 34.22000       33.01843 0.000000       0.000000 34.22000       33.01843 ?        ?        25.37609 9.638097 ?              ?        
1 1 1 5   18 56 o 38.18906 11.94967 99.90000       49.61797 0.000000       0.000000 99.90000       49.61797 ?        ?        38.18906 11.94967 ?              ?        
1 1 1 5   18 57 o 25.77221 8.699319 38.79869       26.03076 0.000000       0.000000 38.79869       26.03076 ?        ?        25.77221 8.699319 ?              ?        
1 1 1 5   18 58 o 18.60385 7.930913 8.009035       25.42156 0.000000       0.000000 8.009035       25.42156 ?        ?        18.60385 7.930913 ?              ?        
1 1 1 5   19 0  o 122.5212 3.883928 736.2487       46.52001 757.1000       81.44976 726.1537       56.67326 123.9847 6.736742 121.6113 4.770250 2.373405       8.254633 
1 1 1 5   19 1  o 151.1476 4.121381 1120.352       60.91789 1206.000       110.6156 1083.068       72.98247 156.5033 7.240445 148.5356 5.026989 7.967651       8.814457 
1 1 1 5   19 2  o 239.2299 5.609875 2807.629       131.3635 0.000000       0.000000 2807.629       131.3635 ?        ?        239.2299 5.609875 ?              ?        
1 1 1 5   19 3  o 358.3498 7.956927 6315.180       279.0993 0.000000       0.000000 6315.180       279.0993 ?        ?        358.3498 7.956927 ?              ?        
1 1 1 5   19 4  o 381.1415 7.281529 7138.861       271.6534 7338.000       551.6365 7075.107       312.1230 383.7416 14.71341 379.1770 8.409643 4.564606       16.94716 
1 1 1 5   19 5  o 224.6925 5.360222 2476.483       117.8902 2509.000       203.6501 2460.094       144.5780 225.4748 9.247046 223.7198 6.609490 1.754913       11.36632 
1 1 1 5   19 6  o 268.5916 6.172806 3541.501       162.2861 3644.000       284.4391 3492.032       197.6052 271.4103 10.72786 266.3956 7.585905 5.014648       13.13899 
1 1 1 5   19 7  o 194.8628 4.177379 1861.054       79.67812 1863.000       157.4360 1860.384       92.38303 194.3803 8.293633 194.7794 4.845549 -0.3990479     9.605398 
1 1 1 5   19 8  o 167.5937 3.781626 1376.328       62.03583 1397.000       123.6712 1369.377       71.71038 168.3788 7.522682 167.0774 4.388685 1.301453       8.709265 
1 1 1 5   19 9  o 203.9733 4.310833 2039.576       86.06779 2320.000       183.9978 1961.032       97.37798 216.8270 8.687065 199.9525 4.975398 16.87456       10.01098 
1 1 1 5   19 10 o 274.8660 5.438464 3707.622       146.3199 3979.000       304.3896 3626.069       166.8632 283.3603 10.99537 271.7046 6.274187 11.65567       12.65952 
1 1 1 5   19 11 o 144.7966 3.524705 1027.312       49.95595 1017.000       96.81413 1031.053       58.31960 143.6657 6.904824 144.9712 4.114017 -1.305420      8.037520 
1 1 1 5   19 12 f 69.74168 4.462699 239.4824       30.30479 288.0000       47.55170 206.2994       39.32551 76.28925 6.427638 64.49444 6.310040 11.79482       9.007282 
1 1 1 5   19 13 o 275.9388 5.455734 3737.764       147.3575 4014.000       306.3061 3654.581       168.0864 284.4311 11.02288 272.7147 6.296768 11.71640       12.69461 
1 1 1 5   19 14 o 315.7746 7.067557 4905.646       218.4504 5055.000       385.1593 4834.817       265.2379 318.6103 12.37374 312.9600 8.666802 5.650238       15.10705 
1 1 1 5   19 15 o 117.6087 3.601559 678.5320       41.41178 664.2000       71.95665 685.6299       50.63836 116.0703 6.357780 118.1564 4.386019 -2.086174      7.723893 
1 1 1 5   19 16 o 177.2072 3.904256 1539.506       67.72139 1833.000       146.3819 1459.584       76.38766 192.7211 7.775788 172.4361 4.529654 20.28499       8.998924 
1 1 1 5   19 17 o 82.22566 3.097903 331.7362       24.88881 400.1000       49.70219 308.8559       28.75367 90.07087 5.666191 79.28944 3.715190 10.78143       6.775570 
1 1 1 5   19 18 o 116.9453 4.577819 672.0880       52.30076 0.000000       0.000000 672.0880       52.30076 ?        ?        116.9453 4.577819 ?              ?        
1 1 1 5   19 19 o 352.6000 9.610902 6163.508       331.3961 5802.000       449.4975 6594.000       490.5137 339.9633 13.53499 362.2376 13.85968 -22.27426      19.37232 
1 1 1 5   19 20 o 62.40543 3.825884 191.7027       23.25776 316.0000       53.96402 163.3476       25.77442 79.78339 6.980358 57.50283 4.618038 22.28057       8.369688 
1 1 1 5   19 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 22 o 276.0927 7.897893 3772.087       213.2190 3973.000       311.5146 3595.000       292.4610 281.7395 11.31903 268.0586 11.17081 13.68094       15.90307 
1 1 1 5   19 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 24 o 249.5974 7.335174 3084.603       179.0133 3572.000       276.3008 2732.000       235.0084 266.9604 10.59480 233.5689 10.30463 33.39143       14.77955 
1 1 1 5   19 25 o 131.8071 5.198542 856.8252       66.93817 971.5000       97.75880 755.6000       91.84724 139.8952 7.163003 123.2021 7.654063 16.69306       10.48300 
1 1 1 5   19 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 27 o 195.3960 6.219456 1891.771       118.8012 2074.000       174.1052 1733.000       162.5136 203.3837 8.766180 185.7803 8.963282 17.60336       12.53740 
1 1 1 5   19 28 o 79.25567 5.747624 312.4377       44.28574 242.9000       55.71168 431.8000       72.99109 69.15686 8.402284 92.56338 8.138882 -23.40652      11.69785 
1 1 1 5   19 29 o 31.17449 10.02177 48.56568       34.69632 46.90000       45.50014 50.88000       53.63271 32.12193 11.46306 33.95708 12.40125 -1.835152      16.88765 
1 1 1 5   19 30 o 71.07935 9.501162 260.9000       64.44971 0.000000       0.000000 260.9000       64.44971 ?        ?        71.07935 9.501162 ?              ?        
1 1 1 5   19 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 32 o 60.39487 8.714372 189.3000       50.02769 0.000000       0.000000 189.3000       50.02769 ?        ?        60.39487 8.714372 ?              ?        
1 1 1 5   19 33 o 77.83005 5.595103 303.5020       42.34029 0.000000       0.000000 303.5020       42.34029 ?        ?        77.83005 5.595103 ?              ?        
1 1 1 5   19 34 o 141.7294 7.898002 1026.000       109.1346 0.000000       0.000000 1026.000       109.1346 ?        ?        141.7294 7.898002 ?              ?        
1 1 1 5   19 35 o 45.94048 8.509994 111.5233       36.85866 0.000000       0.000000 111.5233       36.85866 ?        ?        45.94048 8.509994 ?              ?        
1 1 1 5   19 36 o 102.2164 5.422358 524.0558       54.05780 0.000000       0.000000 524.0558       54.05780 ?        ?        102.2164 5.422358 ?              ?        
1 1 1 5   19 37 o 31.43287 10.25849 51.92329       36.27354 0.000000       0.000000 51.92329       36.27354 ?        ?        31.43287 10.25849 ?              ?        
1 1 1 5   19 38 f 93.42760 5.670852 440.7202       51.61545 0.000000       0.000000 440.7202       51.61545 ?        ?        93.42760 5.670852 ?              ?        
1 1 1 5   19 39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   19 40 o 47.26122 8.408724 120.6305       37.47342 0.000000       0.000000 120.6305       37.47342 ?        ?        47.26122 8.408724 ?              ?        
1 1 1 5   19 41 o 72.12817 6.270359 268.8530       43.82992 0.000000       0.000000 268.8530       43.82992 ?        ?        72.12817 6.270359 ?              ?        
1 1 1 5   19 42 o 66.99651 6.194938 232.6127       40.16525 0.000000       0.000000 232.6127       40.16525 ?        ?        66.99651 6.194938 ?              ?        
1 1 1 5   19 43 o 83.88700 5.641259 361.5903       46.05158 0.000000       0.000000 361.5903       46.05158 ?        ?        83.88700 5.641259 ?              ?        
1 1 1 5   19 44 o 84.15796 7.244024 376.3000       59.09333 0.000000       0.000000 376.3000       59.09333 ?        ?        84.15796 7.244024 ?              ?        
1 1 1 5   19 45 o 36.21562 9.251197 75.37238       32.90877 0.000000       0.000000 75.37238       32.90877 ?        ?        36.21562 9.251197 ?              ?        
1 1 1 5   19 46 o 31.69656 12.55958 54.25000       57.91838 0.000000       0.000000 54.25000       57.91838 ?        ?        31.69656 12.55958 ?              ?        
1 1 1 5   19 47 o 48.92706 9.599904 138.8000       44.33225 0.000000       0.000000 138.8000       44.33225 ?        ?        48.92706 9.599904 ?              ?        
1 1 1 5   19 48 o 52.25547 6.901362 147.3765       34.43771 0.000000       0.000000 147.3765       34.43771 ?        ?        52.25547 6.901362 ?              ?        
1 1 1 5   19 49 o 33.95875 9.179065 68.16646       31.23289 0.000000       0.000000 68.16646       31.23289 ?        ?        33.95875 9.179065 ?              ?        
1 1 1 5   19 50 f 27.81428 9.335049 44.63202       29.97599 0.000000       0.000000 44.63202       29.97599 ?        ?        27.81428 9.335049 ?              ?        
1 1 1 5   19 51 o 34.93810 8.715685 71.51260       29.70616 0.000000       0.000000 71.51260       29.70616 ?        ?        34.93810 8.715685 ?              ?        
1 1 1 5   19 52 o 41.25492 7.731748 95.82401       30.07504 0.000000       0.000000 95.82401       30.07504 ?        ?        41.25492 7.731748 ?              ?        
1 1 1 5   19 53 o 24.90007 8.847823 33.98157       27.07963 0.000000       0.000000 33.98157       27.07963 ?        ?        24.90007 8.847823 ?              ?        
1 1 1 5   19 54 o 19.11662 8.484507 -0.4722000     31.66993 0.000000       0.000000 -0.4722000     31.66993 ?        ?        19.11662 8.484507 ?              ?        
1 1 1 5   19 55 o 25.64393 10.80968 27.56000       46.33889 0.000000       0.000000 27.56000       46.33889 ?        ?        25.64393 10.80968 ?              ?        
1 1 1 5   19 56 o 26.67113 8.785226 41.93260       26.57671 0.000000       0.000000 41.93260       26.57671 ?        ?        26.67113 8.785226 ?              ?        
1 1 1 5   19 57 o 53.05554 6.157743 152.8770       31.38525 0.000000       0.000000 152.8770       31.38525 ?        ?        53.05554 6.157743 ?              ?        
1 1 1 5   20 0  o 265.7417 5.282165 3464.455       137.3972 3345.000       268.7726 3506.716       159.8645 259.9763 10.58410 267.2495 6.111235 -7.273193      12.22171 
1 1 1 5   20 1  o 277.3395 6.339451 3777.467       172.0956 3489.000       282.4261 3947.834       217.0447 265.4308 10.89359 283.1599 7.838433 -17.72910      13.42056 
1 1 1 5   20 2  o 325.5219 6.314355 5204.004       201.1942 5387.000       409.9566 5145.944       230.9154 329.2185 12.74585 323.5148 7.292100 5.703735       14.68439 
1 1 1 5   20 3  o 159.2230 7.233102 1249.000       112.4348 0.000000       0.000000 1249.000       112.4348 ?        ?        159.2230 7.233102 ?              ?        
1 1 1 5   20 4  o 278.5896 6.378422 3812.279       173.9340 0.000000       0.000000 3812.279       173.9340 ?        ?        278.5896 6.378422 ?              ?        
1 1 1 5   20 5  o 205.6244 4.330686 2072.839       87.16408 2095.000       174.5323 2065.475       100.6092 206.0145 8.674502 205.1998 5.009040 0.8146820      10.01686 
1 1 1 5   20 6  o 294.5603 6.700473 4264.094       193.1905 4506.000       344.2135 4152.851       233.4220 301.3091 11.69323 290.2744 8.223654 11.03476       14.29546 
1 1 1 5   20 7  o 115.2730 3.959432 652.0518       44.60889 754.2000       77.89271 602.1979       54.41652 123.7292 6.453902 110.6796 5.036125 13.04961       8.186295 
1 1 1 5   20 8  o 104.7150 3.946166 538.2208       40.37500 553.9000       66.75660 529.1774       50.69876 105.9755 6.466280 103.7374 5.007726 2.238167       8.178637 
1 1 1 5   20 9  o 88.33218 3.342784 382.8387       28.85022 404.8000       57.08713 375.3059       33.43396 90.52743 6.485429 87.41581 3.917386 3.111618       7.576722 
1 1 1 5   20 10 o 153.2795 4.141261 1152.701       62.07614 1042.000       102.6198 1216.585       77.95661 145.3497 7.235661 157.3778 5.067220 -12.02805      8.833544 
1 1 1 5   20 11 o 133.5392 3.428101 874.4032       44.77230 1051.000       95.13335 824.1607       50.74312 146.0528 6.672142 129.5979 4.004925 16.45490       7.781832 
1 1 1 5   20 12 o 40.05264 4.830727 79.84284       18.55667 100.7000       37.88223 73.25802       21.28532 44.37935 9.028282 38.17886 5.884565 6.200489       10.77673 
1 1 1 5   20 13 o 100.2980 3.582561 493.6599       35.11512 578.3000       64.80161 458.4741       41.78125 108.3053 6.137774 96.58178 4.431378 11.72356       7.570296 
1 1 1 5   20 14 o 150.3978 4.065331 1109.918       59.79229 1359.000       114.4009 1016.304       70.13397 166.0198 7.055939 143.8137 4.989769 22.20612       8.641994 
1 1 1 5   20 15 o 94.85416 3.186275 441.3660       29.54126 387.2000       55.90854 462.3461       34.79516 88.49065 6.500031 97.04895 3.669482 -8.558296      7.464282 
1 1 1 5   20 16 o 93.47177 4.919078 430.0607       44.84758 396.9000       55.55511 492.1000       75.98811 89.60476 6.375778 99.59026 7.858761 -9.985497      10.11982 
1 1 1 5   20 17 o 256.2141 5.925904 3227.637       148.6154 3852.000       286.8585 2998.572       173.7516 278.3251 10.54863 246.5807 7.206588 31.74443       12.77530 
1 1 1 5   20 18 o 150.1313 3.570262 1105.075       52.46596 1143.000       101.9700 1091.420       61.18648 152.1700 6.863674 149.0917 4.196895 3.078262       8.045119 
1 1 1 5   20 19 o 115.8788 4.061265 659.5710       45.99383 658.9000       66.12328 660.2000       64.01800 115.5931 5.863231 115.7358 5.668280 -0.1426544     8.155174 
1 1 1 5   20 20 o 154.0145 5.087275 1167.000       76.58729 0.000000       0.000000 1167.000       76.58729 ?        ?        154.0145 5.087275 ?              ?        
1 1 1 5   20 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   20 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   20 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   20 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   20 25 o 173.3591 5.841801 1485.979       98.98714 1604.000       142.1924 1375.000       137.8849 179.2781 8.124054 165.7973 8.524989 13.48080       11.77606 
1 1 1 5   20 26 o 90.96497 5.382027 409.9736       47.70687 354.4000       60.10489 504.6000       78.42986 84.08712 7.377209 100.2365 8.061658 -16.14942      10.92765 
1 1 1 5   20 27 f 97.01954 5.271623 466.4982       49.87412 497.0000       66.96361 428.5000       74.74084 99.71437 6.903419 92.08849 8.383569 7.625877       10.86008 
1 1 1 5   20 28 o 84.42015 5.663681 354.7330       46.52979 344.5000       61.82590 368.1000       70.66187 82.59256 7.737656 85.09615 8.601339 -2.503586      11.56954 
1 1 1 5   20 29 o 112.5965 8.058613 641.3000       88.22878 0.000000       0.000000 641.3000       88.22878 ?        ?        112.5965 8.058613 ?              ?        
1 1 1 5   20 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   20 31 f 104.3869 7.280735 551.6000       73.92590 0.000000       0.000000 551.6000       73.92590 ?        ?        104.3869 7.280735 ?              ?        
1 1 1 5   20 32 o 91.75033 5.386793 420.6102       48.16474 0.000000       0.000000 420.6102       48.16474 ?        ?        91.75033 5.386793 ?              ?        
1 1 1 5   20 33 o 25.11987 10.95206 -2.072000      50.64247 0.000000       0.000000 -2.072000      50.64247 ?        ?        25.11987 10.95206 ?              ?        
1 1 1 5   20 34 o 49.91126 7.895180 129.9720       37.28991 0.000000       0.000000 129.9720       37.28991 ?        ?        49.91126 7.895180 ?              ?        
1 1 1 5   20 35 o 71.00880 6.200346 255.7104       42.66391 0.000000       0.000000 255.7104       42.66391 ?        ?        71.00880 6.200346 ?              ?        
1 1 1 5   20 36 o 102.1330 5.373967 523.9284       53.53485 0.000000       0.000000 523.9284       53.53485 ?        ?        102.1330 5.373967 ?              ?        
1 1 1 5   20 37 o 73.60449 6.137885 275.6147       43.81892 0.000000       0.000000 275.6147       43.81892 ?        ?        73.60449 6.137885 ?              ?        
1 1 1 5   20 38 o 94.33827 5.586479 450.3709       51.35509 0.000000       0.000000 450.3709       51.35509 ?        ?        94.33827 5.586479 ?              ?        
1 1 1 5   20 39 o 98.12820 5.556480 488.6770       53.15224 0.000000       0.000000 488.6770       53.15224 ?        ?        98.12820 5.556480 ?              ?        
1 1 1 5   20 40 o 16.13957 7.673929 -35.59029      33.06121 0.000000       0.000000 -35.59029      33.06121 ?        ?        16.13957 7.673929 ?              ?        
1 1 1 5   20 41 o 32.37084 9.900912 59.37022       34.28842 0.000000       0.000000 59.37022       34.28842 ?        ?        32.37084 9.900912 ?              ?        
1 1 1 5   20 42 o 56.47113 7.279499 169.9514       39.30277 0.000000       0.000000 169.9514       39.30277 ?        ?        56.47113 7.279499 ?              ?        
1 1 1 5   20 43 o 51.04347 9.475306 147.6000       45.59875 0.000000       0.000000 147.6000       45.59875 ?        ?        51.04347 9.475306 ?              ?        
1 1 1 5   20 44 o 99.46855 5.354719 507.2055       51.94273 0.000000       0.000000 507.2055       51.94273 ?        ?        99.46855 5.354719 ?              ?        
1 1 1 5   20 45 o 29.81038 12.11678 42.56000       55.36982 0.000000       0.000000 42.56000       55.36982 ?        ?        29.81038 12.11678 ?              ?        
1 1 1 5   20 46 o 20.53163 8.710442 8.544887       30.40876 0.000000       0.000000 8.544887       30.40876 ?        ?        20.53163 8.710442 ?              ?        
1 1 1 5   20 47 o 56.33820 6.489535 169.1120       35.13374 0.000000       0.000000 169.1120       35.13374 ?        ?        56.33820 6.489535 ?              ?        
1 1 1 5   20 48 o 37.75422 9.996514 86.46000       37.51874 0.000000       0.000000 86.46000       37.51874 ?        ?        37.75422 9.996514 ?              ?        
1 1 1 5   20 49 o 38.47215 8.453285 85.31776       30.96198 0.000000       0.000000 85.31776       30.96198 ?        ?        38.47215 8.453285 ?              ?        
1 1 1 5   20 50 f 19.16578 8.330545 3.555365       29.11143 0.000000       0.000000 3.555365       29.11143 ?        ?        19.16578 8.330545 ?              ?        
1 1 1 5   20 51 o 29.14961 9.090237 50.12975       28.73849 0.000000       0.000000 50.12975       28.73849 ?        ?        29.14961 9.090237 ?              ?        
1 1 1 5   20 52 o 24.33796 8.937756 31.43214       27.91796 0.000000       0.000000 31.43214       27.91796 ?        ?        24.33796 8.937756 ?              ?        
1 1 1 5   20 53 o 40.60438 9.612847 99.98000       37.61026 0.000000       0.000000 99.98000       37.61026 ?        ?        40.60438 9.612847 ?              ?        
1 1 1 5   20 54 o 41.58086 11.77904 115.6000       50.11277 0.000000       0.000000 115.6000       50.11277 ?        ?        41.58086 11.77904 ?              ?        
1 1 1 5   20 55 o 32.66098 8.581619 63.53531       27.78666 0.000000       0.000000 63.53531       27.78666 ?        ?        32.66098 8.581619 ?              ?        
1 1 1 5   20 56 o 42.62422 7.257228 102.5933       29.19451 0.000000       0.000000 102.5933       29.19451 ?        ?        42.62422 7.257228 ?              ?        
1 1 1 5   20 57 o 23.57459 8.678491 31.00194       26.34787 0.000000       0.000000 31.00194       26.34787 ?        ?        23.57459 8.678491 ?              ?        
1 1 1 5   21 0  o 253.9460 5.091446 3164.179       126.5578 3121.000       251.3284 3178.847       146.4852 251.0358 10.24977 254.4261 5.882011 -3.390289      11.81761 
1 1 1 5   21 1  f 247.0093 4.984055 2993.382       120.5042 3061.000       244.3925 2971.661       138.5129 248.6566 10.06189 246.0120 5.752115 2.644592       11.59002 
1 1 1 5   21 2  o 161.7251 3.752174 1281.845       59.39727 1265.000       117.9598 1287.567       68.74901 160.1456 7.546335 161.9898 4.339742 -1.844269      8.705201 
1 1 1 5   21 3  o 376.6735 7.211391 6979.988       265.8828 6847.000       523.9852 7026.104       308.5575 369.9074 14.49979 377.5841 8.348648 -7.676697      16.73152 
1 1 1 5   21 4  o 117.5879 3.883095 678.4701       44.63244 0.000000       0.000000 678.4701       44.63244 ?        ?        117.5879 3.883095 ?              ?        
1 1 1 5   21 5  o 148.3472 5.188153 1081.302       75.21932 0.000000       0.000000 1081.302       75.21932 ?        ?        148.3472 5.188153 ?              ?        
1 1 1 5   21 6  o 210.6404 4.424120 2175.890       91.21681 2454.000       195.2720 2098.266       103.1642 222.8229 8.971457 206.7808 5.096977 16.04205       10.31825 
1 1 1 5   21 7  o 129.9434 4.084325 828.6501       51.88493 1019.000       94.36707 746.1743       62.11659 143.7986 6.723008 123.1964 5.162584 20.60220       8.476503 
1 1 1 5   21 8  o 166.1249 4.495861 1354.557       73.03891 1670.000       137.3646 1230.222       86.24032 183.9940 7.643847 158.1855 5.578504 25.80844       9.462986 
1 1 1 5   21 9  o 196.8692 4.955613 1903.129       95.41928 2284.000       180.0554 1754.394       112.5184 214.9997 8.573015 188.8526 6.094856 26.14706       10.51874 
1 1 1 5   21 10 o 256.1950 5.158007 3221.838       129.3477 3601.000       275.4686 3114.594       146.5028 269.4169 10.46569 251.7729 5.944710 17.64404       12.03621 
1 1 1 5   21 11 o 157.9608 3.716060 1223.091       57.45638 1507.000       125.8400 1148.318       64.58088 174.7824 7.372100 152.9535 4.317904 21.82890       8.543545 
1 1 1 5   21 12 o 83.41324 3.644522 341.6994       29.68468 339.9000       53.38694 342.5047       35.71462 82.86243 6.637669 83.44720 4.387902 -0.5847778     7.956904 
1 1 1 5   21 13 o 64.37888 3.668575 203.8332       23.02214 215.3000       46.24227 200.0544       26.54590 65.71502 7.312716 63.72079 4.280922 1.994232       8.473613 
1 1 1 5   21 14 o 44.56028 4.310979 98.31278       18.56857 95.14000       40.25553 99.17030       20.92796 42.99096 9.786629 44.68601 4.862987 -1.695053      10.92825 
1 1 1 5   21 15 o 251.2719 7.261873 3114.445       178.4198 3208.000       252.3981 3021.000       252.2493 254.0709 10.16959 246.4259 10.48167 7.644974       14.60431 
1 1 1 5   21 16 o 152.1272 4.115629 1136.167       61.22801 1383.000       115.2541 1039.116       72.26939 167.3706 7.050908 145.3583 5.087194 22.01227       8.694530 
1 1 1 5   21 17 o 62.13453 3.203743 189.7336       19.41904 197.7000       38.17680 186.9529       22.55492 63.07045 6.266782 61.62802 3.756861 1.442429       7.306610 
1 1 1 5   21 18 o 201.3606 4.876933 1991.919       96.12305 2135.000       170.4559 1925.203       116.3955 207.5299 8.408628 197.6736 6.022659 9.856354       10.34299 
1 1 1 5   21 19 o 145.3443 3.946511 1037.405       56.09388 1066.000       94.37343 1021.783       69.75266 146.8958 6.580182 144.1043 4.952488 2.791519       8.235650 
1 1 1 5   21 20 o 33.26994 12.18301 45.64000       51.81421 0.000000       0.000000 45.64000       51.81421 ?        ?        33.26994 12.18301 ?              ?        
1 1 1 5   21 21 o 81.39175 8.547092 332.5000       67.07866 0.000000       0.000000 332.5000       67.07866 ?        ?        81.39175 8.547092 ?              ?        
1 1 1 5   21 22 o 91.11512 8.281010 415.9000       73.04906 0.000000       0.000000 415.9000       73.04906 ?        ?        91.11512 8.281010 ?              ?        
1 1 1 5   21 23 f 127.0394 5.265368 796.8052       65.33277 934.1000       94.53942 671.3000       90.38922 137.1032 7.068509 115.9043 8.016689 21.19891       10.68790 
1 1 1 5   21 24 o 119.9279 5.251572 710.7949       61.49807 765.1000       84.75070 650.4000       89.37635 123.9717 7.012764 113.9535 8.064987 10.01816       10.68751 
1 1 1 5   21 25 o 106.4846 5.220712 561.1588       54.24966 507.7000       70.60583 638.2000       84.76039 100.7612 7.206393 112.8588 7.719228 -12.09764      10.56024 
1 1 1 5   21 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   21 27 o 47.27535 12.60739 120.6000       59.40806 0.000000       0.000000 120.6000       59.40806 ?        ?        47.27535 12.60739 ?              ?        
1 1 1 5   21 28 o 123.8618 7.942756 775.3000       95.78995 0.000000       0.000000 775.3000       95.78995 ?        ?        123.8618 7.942756 ?              ?        
1 1 1 5   21 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   21 30 o 112.1417 5.338943 626.8940       58.43587 0.000000       0.000000 626.8940       58.43587 ?        ?        112.1417 5.338943 ?              ?        
1 1 1 5   21 31 o 101.1653 5.309672 510.9358       52.39408 0.000000       0.000000 510.9358       52.39408 ?        ?        101.1653 5.309672 ?              ?        
1 1 1 5   21 32 o 52.98752 11.12929 153.3000       55.88333 0.000000       0.000000 153.3000       55.88333 ?        ?        52.98752 11.12929 ?              ?        
1 1 1 5   21 33 o 71.75209 6.042518 260.2519       42.04437 0.000000       0.000000 260.2519       42.04437 ?        ?        71.75209 6.042518 ?              ?        
1 1 1 5   21 34 o 30.49766 10.01143 48.12996       34.52473 0.000000       0.000000 48.12996       34.52473 ?        ?        30.49766 10.01143 ?              ?        
1 1 1 5   21 35 o 107.4149 5.349729 579.3365       56.07042 0.000000       0.000000 579.3365       56.07042 ?        ?        107.4149 5.349729 ?              ?        
1 1 1 5   21 36 o 59.79588 6.916373 184.4703       39.73599 0.000000       0.000000 184.4703       39.73599 ?        ?        59.79588 6.916373 ?              ?        
1 1 1 5   21 37 o 30.07621 10.11462 47.47623       35.19043 0.000000       0.000000 47.47623       35.19043 ?        ?        30.07621 10.11462 ?              ?        
1 1 1 5   21 38 o 50.71599 7.868625 136.8892       37.79660 0.000000       0.000000 136.8892       37.79660 ?        ?        50.71599 7.868625 ?              ?        
1 1 1 5   21 39 o 56.62059 7.147984 168.8215       38.73424 0.000000       0.000000 168.8215       38.73424 ?        ?        56.62059 7.147984 ?              ?        
1 1 1 5   21 40 o 57.74187 6.995493 175.9223       38.73276 0.000000       0.000000 175.9223       38.73276 ?        ?        57.74187 6.995493 ?              ?        
1 1 1 5   21 41 o 50.16043 7.672530 135.6964       36.47541 0.000000       0.000000 135.6964       36.47541 ?        ?        50.16043 7.672530 ?              ?        
1 1 1 5   21 42 o 43.28815 10.85278 111.5000       45.89359 0.000000       0.000000 111.5000       45.89359 ?        ?        43.28815 10.85278 ?              ?        
1 1 1 5   21 43 o 40.48780 8.912058 92.84002       34.36013 0.000000       0.000000 92.84002       34.36013 ?        ?        40.48780 8.912058 ?              ?        
1 1 1 5   21 44 o 30.94145 12.31405 50.10000       55.90870 0.000000       0.000000 50.10000       55.90870 ?        ?        30.94145 12.31405 ?              ?        
1 1 1 5   21 45 o 43.20451 8.110047 104.1426       33.03793 0.000000       0.000000 104.1426       33.03793 ?        ?        43.20451 8.110047 ?              ?        
1 1 1 5   21 46 o 19.93789 8.551057 6.125948       29.87711 0.000000       0.000000 6.125948       29.87711 ?        ?        19.93789 8.551057 ?              ?        
1 1 1 5   21 47 o 22.38467 8.861822 21.34920       28.81035 0.000000       0.000000 21.34920       28.81035 ?        ?        22.38467 8.861822 ?              ?        
1 1 1 5   21 48 o 59.06226 6.152685 185.4882       35.04889 0.000000       0.000000 185.4882       35.04889 ?        ?        59.06226 6.152685 ?              ?        
1 1 1 5   21 49 o 20.40570 9.178462 -4.175000      38.39847 0.000000       0.000000 -4.175000      38.39847 ?        ?        20.40570 9.178462 ?              ?        
1 1 1 5   21 50 o 37.90834 8.831592 84.38659       32.15935 0.000000       0.000000 84.38659       32.15935 ?        ?        37.90834 8.831592 ?              ?        
1 1 1 5   21 51 o 44.91726 7.446635 112.3997       31.59398 0.000000       0.000000 112.3997       31.59398 ?        ?        44.91726 7.446635 ?              ?        
1 1 1 5   21 52 o 35.46207 10.12165 78.19000       36.86376 0.000000       0.000000 78.19000       36.86376 ?        ?        35.46207 10.12165 ?              ?        
1 1 1 5   21 53 o 34.63857 11.81010 80.55000       47.98626 0.000000       0.000000 80.55000       47.98626 ?        ?        34.63857 11.81010 ?              ?        
1 1 1 5   21 54 o 28.43522 8.861074 48.25095       27.31305 0.000000       0.000000 48.25095       27.31305 ?        ?        28.43522 8.861074 ?              ?        
1 1 1 5   21 55 o 35.46794 8.319199 74.42824       28.37941 0.000000       0.000000 74.42824       28.37941 ?        ?        35.46794 8.319199 ?              ?        
1 1 1 5   21 56 o 16.57125 7.407259 -2.712535      24.58438 0.000000       0.000000 -2.712535      24.58438 ?        ?        16.57125 7.407259 ?              ?        
1 1 1 5   22 0  o 325.1391 6.307451 5196.212       200.7378 5400.000       411.5491 5132.593       229.9463 329.0172 12.80344 322.9132 7.275025 6.104065       14.72596 
1 1 1 5   22 1  o 213.8155 4.462194 2242.302       93.38857 2462.000       198.1147 2179.537       105.8915 223.1072 9.090912 210.7280 5.133726 12.37914       10.44030 
1 1 1 5   22 2  o 134.5408 3.484303 887.6658       45.84694 837.4000       89.75811 905.4094       53.32840 130.2631 7.066024 135.8356 4.015277 -5.572571      8.127186 
1 1 1 5   22 3  o 167.8982 3.833069 1381.879       62.99393 1503.000       131.2532 1345.630       71.80431 174.5077 7.703011 165.5772 4.434400 8.930435       8.888210 
1 1 1 5   22 4  o 171.5340 4.493402 1444.257       75.38023 1334.000       125.0133 1507.246       94.49009 164.3632 7.792625 175.1086 5.519696 -10.74541      9.549453 
1 1 1 5   22 5  o 153.4520 4.246996 1155.654       63.72980 0.000000       0.000000 1155.654       63.72980 ?        ?        153.4520 4.246996 ?              ?        
1 1 1 5   22 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   22 7  f 139.0817 3.566278 948.7155       48.51018 969.4000       95.32547 941.4868       56.35269 140.1768 6.969325 138.4974 4.161595 1.679413       8.117288 
1 1 1 5   22 8  o 269.1120 6.233856 3560.499       164.2086 3918.000       299.5917 3406.976       196.3261 280.7855 10.92139 262.8398 7.639092 17.94574       13.32788 
1 1 1 5   22 9  o 62.93209 4.941402 195.5832       30.19490 205.9000       46.89304 188.2759       39.46523 64.20025 7.610007 61.50697 6.661371 2.693279       10.11366 
1 1 1 5   22 10 f 397.7993 8.800972 7818.822       342.6895 8986.000       653.7780 7376.650       402.3997 421.7140 15.86650 385.3851 10.67764 36.32892       19.12480 
1 1 1 5   22 11 o 110.2379 3.790908 596.5476       40.84452 606.2000       71.96256 591.9603       49.60964 110.7823 6.667215 109.7317 4.629186 1.050667       8.116718 
1 1 1 5   22 12 o 141.3933 3.548374 980.6935       49.07059 1084.000       100.7981 948.6059       56.17686 148.1864 6.968768 139.0020 4.133451 9.184418       8.102416 
1 1 1 5   22 13 o 188.7172 4.122291 1747.158       76.14763 1957.000       159.8605 1685.571       86.60400 198.8596 8.230537 185.2244 4.780758 13.63524       9.518266 
1 1 1 5   22 14 o 39.03170 5.055431 76.07166       18.86116 85.71000       38.75947 73.08115       21.58983 40.76318 9.829278 38.09154 5.987837 2.671642       11.50951 
1 1 1 5   22 15 o 152.3769 4.235191 1140.300       63.10691 0.000000       0.000000 1140.300       63.10691 ?        ?        152.3769 4.235191 ?              ?        
1 1 1 5   22 16 o 145.4503 3.509709 1037.469       49.96801 1261.000       106.3430 974.1343       56.60606 159.7717 6.815564 140.8289 4.110834 18.94278       7.959326 
1 1 1 5   22 17 o 98.09076 3.623649 472.6142       34.73228 0.000000       0.000000 472.6142       34.73228 ?        ?        98.09076 3.623649 ?              ?        
1 1 1 5   22 18 o 116.1242 3.217789 661.7439       36.53991 715.9000       69.33467 640.9188       42.99519 120.4132 5.900578 114.2140 3.851377 6.199219       7.046270 
1 1 1 5   22 19 o 26.33220 5.486746 35.40243       13.68245 0.000000       0.000000 35.40243       13.68245 ?        ?        26.33220 5.486746 ?              ?        
1 1 1 5   22 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   22 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   22 22 o 91.22459 8.423460 418.5000       74.36671 0.000000       0.000000 418.5000       74.36671 ?        ?        91.22459 8.423460 ?              ?        
1 1 1 5   22 23 o 92.61280 8.297643 431.9000       74.42351 0.000000       0.000000 431.9000       74.42351 ?        ?        92.61280 8.297643 ?              ?        
1 1 1 5   22 24 o 170.4404 8.417812 1460.000       140.0014 0.000000       0.000000 1460.000       140.0014 ?        ?        170.4404 8.417812 ?              ?        
1 1 1 5   22 25 o 72.05939 9.536757 267.1000       65.61647 0.000000       0.000000 267.1000       65.61647 ?        ?        72.05939 9.536757 ?              ?        
1 1 1 5   22 26 o 85.92273 8.540649 376.0000       70.87993 0.000000       0.000000 376.0000       70.87993 ?        ?        85.92273 8.540649 ?              ?        
1 1 1 5   22 27 o 83.18269 8.912928 354.9000       71.44028 0.000000       0.000000 354.9000       71.44028 ?        ?        83.18269 8.912928 ?              ?        
1 1 1 5   22 28 o 165.8661 8.316527 1399.000       134.5917 0.000000       0.000000 1399.000       134.5917 ?        ?        165.8661 8.316527 ?              ?        
1 1 1 5   22 29 o 89.01944 5.520653 396.2477       47.86732 0.000000       0.000000 396.2477       47.86732 ?        ?        89.01944 5.520653 ?              ?        
1 1 1 5   22 30 o 75.55000 8.867612 296.6000       64.32953 0.000000       0.000000 296.6000       64.32953 ?        ?        75.55000 8.867612 ?              ?        
1 1 1 5   22 31 o 101.7529 7.792702 530.5000       77.02356 0.000000       0.000000 530.5000       77.02356 ?        ?        101.7529 7.792702 ?              ?        
1 1 1 5   22 32 o 48.70496 7.828540 123.9083       36.05716 0.000000       0.000000 123.9083       36.05716 ?        ?        48.70496 7.828540 ?              ?        
1 1 1 5   22 33 o 27.14752 9.915329 33.56168       34.28696 0.000000       0.000000 33.56168       34.28696 ?        ?        27.14752 9.915329 ?              ?        
1 1 1 5   22 34 o 42.40805 9.205019 97.33839       37.11140 0.000000       0.000000 97.33839       37.11140 ?        ?        42.40805 9.205019 ?              ?        
1 1 1 5   22 35 o 73.67736 5.978432 275.7694       42.74479 0.000000       0.000000 275.7694       42.74479 ?        ?        73.67736 5.978432 ?              ?        
1 1 1 5   22 36 o 28.28341 9.946236 40.10256       34.14899 0.000000       0.000000 40.10256       34.14899 ?        ?        28.28341 9.946236 ?              ?        
1 1 1 5   22 37 o 62.64487 6.584262 203.1220       39.77091 0.000000       0.000000 203.1220       39.77091 ?        ?        62.64487 6.584262 ?              ?        
1 1 1 5   22 38 o 56.19925 7.237545 166.6551       38.88995 0.000000       0.000000 166.6551       38.88995 ?        ?        56.19925 7.237545 ?              ?        
1 1 1 5   22 39 o 53.12946 7.520637 150.9194       38.01871 0.000000       0.000000 150.9194       38.01871 ?        ?        53.12946 7.520637 ?              ?        
1 1 1 5   22 40 o 21.56237 9.003438 11.16994       31.68028 0.000000       0.000000 11.16994       31.68028 ?        ?        21.56237 9.003438 ?              ?        
1 1 1 5   22 41 o 62.07847 8.396772 211.1000       49.71526 0.000000       0.000000 211.1000       49.71526 ?        ?        62.07847 8.396772 ?              ?        
1 1 1 5   22 42 f 49.52810 7.544077 132.8955       35.41978 0.000000       0.000000 132.8955       35.41978 ?        ?        49.52810 7.544077 ?              ?        
1 1 1 5   22 43 o 27.58733 11.73191 25.40000       55.39109 0.000000       0.000000 25.40000       55.39109 ?        ?        27.58733 11.73191 ?              ?        
1 1 1 5   22 44 o 48.38429 7.649503 128.3469       35.02504 0.000000       0.000000 128.3469       35.02504 ?        ?        48.38429 7.649503 ?              ?        
1 1 1 5   22 45 o 20.18976 8.600669 7.583984       29.85784 0.000000       0.000000 7.583984       29.85784 ?        ?        20.18976 8.600669 ?              ?        
1 1 1 5   22 46 o 50.80327 7.160456 140.8835       34.62082 0.000000       0.000000 140.8835       34.62082 ?        ?        50.80327 7.160456 ?              ?        
1 1 1 5   22 47 o 23.87766 9.087049 28.28343       29.38684 0.000000       0.000000 28.28343       29.38684 ?        ?        23.87766 9.087049 ?              ?        
1 1 1 5   22 48 o 40.88007 8.393195 95.94843       32.45935 0.000000       0.000000 95.94843       32.45935 ?        ?        40.88007 8.393195 ?              ?        
1 1 1 5   22 49 o 34.42800 9.305033 71.25168       32.09782 0.000000       0.000000 71.25168       32.09782 ?        ?        34.42800 9.305033 ?              ?        
1 1 1 5   22 50 o 40.73395 10.70924 105.0000       43.25590 0.000000       0.000000 105.0000       43.25590 ?        ?        40.73395 10.70924 ?              ?        
1 1 1 5   22 51 o 19.64799 8.746428 -0.7898000     33.91054 0.000000       0.000000 -0.7898000     33.91054 ?        ?        19.64799 8.746428 ?              ?        
1 1 1 5   22 52 o 24.62969 10.55811 20.91000       45.50674 0.000000       0.000000 20.91000       45.50674 ?        ?        24.62969 10.55811 ?              ?        
1 1 1 5   22 53 o 15.12526 7.004812 -14.08250      24.58535 0.000000       0.000000 -14.08250      24.58535 ?        ?        15.12526 7.004812 ?              ?        
1 1 1 5   22 54 o 33.07523 8.550475 65.43242       27.88349 0.000000       0.000000 65.43242       27.88349 ?        ?        33.07523 8.550475 ?              ?        
1 1 1 5   22 55 o 23.49975 8.651526 30.53386       26.18514 0.000000       0.000000 30.53386       26.18514 ?        ?        23.49975 8.651526 ?              ?        
1 1 1 5   23 0  o 180.6237 3.991300 1599.743       70.56597 1748.000       149.5758 1557.298       80.03222 188.0726 8.144423 178.0977 4.594763 9.974854       9.351121 
1 1 1 5   23 1  o 293.1940 5.769585 4223.886       165.5792 4360.000       337.6609 4180.793       189.9904 295.8483 11.68316 291.5027 6.658598 4.345520       13.44742 
1 1 1 5   23 2  o 287.3636 5.668691 4057.105       159.4486 4110.000       321.7758 4039.889       183.5712 287.3079 11.46496 286.5696 6.544377 0.7383118      13.20129 
1 1 1 5   23 3  o 226.4938 4.678195 2517.338       103.7148 2699.000       216.3725 2463.148       118.1757 233.3755 9.491784 223.9454 5.391131 9.430130       10.91596 
1 1 1 5   23 4  f 176.7178 3.961097 1531.351       68.51757 1568.000       138.2746 1519.424       78.88299 178.1276 7.950615 175.9114 4.585150 2.216187       9.178010 
1 1 1 5   23 5  o 315.6456 6.159725 4899.198       190.3125 5108.000       390.2804 4834.060       217.9857 319.7370 12.49437 313.2956 7.108327 6.441376       14.37490 
1 1 1 5   23 6  o 207.5474 5.089654 2115.111       103.3979 0.000000       0.000000 2115.111       103.3979 ?        ?        207.5474 5.089654 ?              ?        
1 1 1 5   23 7  o 92.36323 4.032373 419.1892       36.36790 0.000000       0.000000 419.1892       36.36790 ?        ?        92.36323 4.032373 ?              ?        
1 1 1 5   23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   23 9  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   23 10 o 259.2679 7.440685 3318.432       188.6333 3582.000       277.8212 3093.000       256.9368 268.1971 10.60381 249.2090 10.55702 18.98802       14.96300 
1 1 1 5   23 11 o 117.2874 3.457254 675.0094       39.64738 737.3000       79.43465 654.3432       45.75402 122.1657 6.668133 115.4193 4.056207 6.746376       7.804923 
1 1 1 5   23 12 o 190.1383 4.769262 1776.519       88.69193 2077.000       167.5205 1659.489       104.5466 204.7618 8.375884 183.5810 5.825406 21.18077       10.20249 
1 1 1 5   23 13 o 94.08203 3.688413 434.8049       33.90082 437.3000       60.29021 433.6512       40.99562 93.97369 6.596318 93.87534 4.474368 0.9834290E-01  7.970657 
1 1 1 5   23 14 o 138.4918 3.452916 940.5947       46.80760 1024.000       94.60738 913.5611       53.86178 143.9412 6.733469 136.3771 4.039353 7.564102       7.852132 
1 1 1 5   23 15 o 197.6563 4.222423 1918.150       81.69181 2306.000       179.1288 1816.301       91.79331 215.5113 8.508310 192.1727 4.883883 23.33868       9.810386 
1 1 1 5   23 16 o 14.41231 5.588249 6.426867       11.25787 49.83000       28.06781 -1.894440      12.28977 31.25193 8.802396 12.50986 5.425269 18.74207       10.34000 
1 1 1 5   23 17 o 40.83334 3.558664 82.43211       14.08160 118.3000       30.69706 72.87279       15.84737 48.50711 6.639294 38.27583 4.304388 10.23128       7.912520 
1 1 1 5   23 18 o 257.7455 5.936156 3277.123       149.7623 3195.000       252.9968 3321.423       185.8157 252.3322 10.26464 258.8425 7.341409 -6.510300      12.61979 
1 1 1 5   23 19 o 92.38239 3.052308 419.1122       27.56304 472.0000       49.98866 396.0088       33.03928 97.73323 5.244651 89.71580 3.770725 8.017433       6.459468 
1 1 1 5   23 20 o 57.88505 6.778749 168.2069       37.68139 0.000000       0.000000 168.2069       37.68139 ?        ?        57.88505 6.778749 ?              ?        
1 1 1 5   23 21 o 126.9009 5.266965 796.0861       65.28095 0.000000       0.000000 796.0861       65.28095 ?        ?        126.9009 5.266965 ?              ?        
1 1 1 5   23 22 o 70.76278 5.972583 249.6954       40.98296 0.000000       0.000000 249.6954       40.98296 ?        ?        70.76278 5.972583 ?              ?        
1 1 1 5   23 23 o 118.3886 5.262067 694.4104       60.82553 0.000000       0.000000 694.4104       60.82553 ?        ?        118.3886 5.262067 ?              ?        
1 1 1 5   23 24 f 94.08154 5.536262 440.1523       50.75787 0.000000       0.000000 440.1523       50.75787 ?        ?        94.08154 5.536262 ?              ?        
1 1 1 5   23 25 o 98.03314 5.456177 478.1641       52.14959 0.000000       0.000000 478.1641       52.14959 ?        ?        98.03314 5.456177 ?              ?        
1 1 1 5   23 26 o 145.3534 5.590201 1051.722       79.38684 0.000000       0.000000 1051.722       79.38684 ?        ?        145.3534 5.590201 ?              ?        
1 1 1 5   23 27 o 87.71211 7.492666 390.9000       63.71289 0.000000       0.000000 390.9000       63.71289 ?        ?        87.71211 7.492666 ?              ?        
1 1 1 5   23 28 o 47.20009 8.197187 116.3425       36.49836 0.000000       0.000000 116.3425       36.49836 ?        ?        47.20009 8.197187 ?              ?        
1 1 1 5   23 29 o 55.01079 11.13759 164.7000       57.91191 0.000000       0.000000 164.7000       57.91191 ?        ?        55.01079 11.13759 ?              ?        
1 1 1 5   23 30 f 53.94536 7.401973 150.3128       38.05530 0.000000       0.000000 150.3128       38.05530 ?        ?        53.94536 7.401973 ?              ?        
1 1 1 5   23 31 o 39.16541 9.198689 82.73502       34.65977 0.000000       0.000000 82.73502       34.65977 ?        ?        39.16541 9.198689 ?              ?        
1 1 1 5   23 32 o 94.90178 5.360523 452.1235       49.59278 0.000000       0.000000 452.1235       49.59278 ?        ?        94.90178 5.360523 ?              ?        
1 1 1 5   23 33 o 55.66051 7.196146 160.5604       38.28944 0.000000       0.000000 160.5604       38.28944 ?        ?        55.66051 7.196146 ?              ?        
1 1 1 5   23 34 o 98.01201 5.424034 484.0507       51.83356 0.000000       0.000000 484.0507       51.83356 ?        ?        98.01201 5.424034 ?              ?        
1 1 1 5   23 35 o 71.51917 6.117593 261.4679       42.41530 0.000000       0.000000 261.4679       42.41530 ?        ?        71.51917 6.117593 ?              ?        
1 1 1 5   23 36 o 56.05569 7.198929 164.8506       38.58895 0.000000       0.000000 164.8506       38.58895 ?        ?        56.05569 7.198929 ?              ?        
1 1 1 5   23 37 o 79.91145 5.816572 327.1901       45.18544 0.000000       0.000000 327.1901       45.18544 ?        ?        79.91145 5.816572 ?              ?        
1 1 1 5   23 38 f 48.57640 8.086000 128.2226       37.09630 0.000000       0.000000 128.2226       37.09630 ?        ?        48.57640 8.086000 ?              ?        
1 1 1 5   23 39 o 65.92430 6.185364 226.0267       39.44704 0.000000       0.000000 226.0267       39.44704 ?        ?        65.92430 6.185364 ?              ?        
1 1 1 5   23 40 o 42.42513 10.40901 105.9000       42.89478 0.000000       0.000000 105.9000       42.89478 ?        ?        42.42513 10.40901 ?              ?        
1 1 1 5   23 41 o 52.58878 7.111903 148.1150       35.67133 0.000000       0.000000 148.1150       35.67133 ?        ?        52.58878 7.111903 ?              ?        
1 1 1 5   23 42 o 36.86261 12.87604 86.50000       57.16785 0.000000       0.000000 86.50000       57.16785 ?        ?        36.86261 12.87604 ?              ?        
1 1 1 5   23 43 o 65.33897 6.160793 224.3514       38.93660 0.000000       0.000000 224.3514       38.93660 ?        ?        65.33897 6.160793 ?              ?        
1 1 1 5   23 44 o 63.08276 6.154325 209.7132       37.51851 0.000000       0.000000 209.7132       37.51851 ?        ?        63.08276 6.154325 ?              ?        
1 1 1 5   23 45 o 17.41311 7.896185 -8.991476      29.10068 0.000000       0.000000 -8.991476      29.10068 ?        ?        17.41311 7.896185 ?              ?        
1 1 1 5   23 46 o 51.09451 6.957733 142.1686       33.89432 0.000000       0.000000 142.1686       33.89432 ?        ?        51.09451 6.957733 ?              ?        
1 1 1 5   23 47 o 27.42124 9.360242 43.42612       30.14439 0.000000       0.000000 43.42612       30.14439 ?        ?        27.42124 9.360242 ?              ?        
1 1 1 5   23 48 o 26.06671 10.21647 34.99000       37.95313 0.000000       0.000000 34.99000       37.95313 ?        ?        26.06671 10.21647 ?              ?        
1 1 1 5   23 49 o 20.90002 8.678037 14.20861       29.19377 0.000000       0.000000 14.20861       29.19377 ?        ?        20.90002 8.678037 ?              ?        
1 1 1 5   23 50 o 33.98221 10.64936 73.41000       39.39188 0.000000       0.000000 73.41000       39.39188 ?        ?        33.98221 10.64936 ?              ?        
1 1 1 5   23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   23 52 o 13.95296 6.641107 -25.14479      24.88985 0.000000       0.000000 -25.14479      24.88985 ?        ?        13.95296 6.641107 ?              ?        
1 1 1 5   23 53 o 40.33529 7.648786 92.92892       29.09367 0.000000       0.000000 92.92892       29.09367 ?        ?        40.33529 7.648786 ?              ?        
1 1 1 5   23 54 o 17.15449 7.573420 0.2930196      24.90974 0.000000       0.000000 0.2930196      24.90974 ?        ?        17.15449 7.573420 ?              ?        
1 1 1 5   23 55 o 24.25298 8.673504 34.03160       26.06374 0.000000       0.000000 34.03160       26.06374 ?        ?        24.25298 8.673504 ?              ?        
1 1 1 5   24 0  o 124.2160 3.390279 756.8998       41.18251 835.3000       89.13792 735.6237       46.43552 130.0152 7.030409 122.4121 3.880330 7.603119       8.030169 
1 1 1 5   24 1  o 165.9525 3.816610 1350.564       61.99656 1339.000       126.0318 1354.255       71.20763 164.5267 7.848590 166.0685 4.384429 -1.541779      8.990193 
1 1 1 5   24 2  o 298.5109 5.871161 4381.990       171.5499 4428.000       345.2680 4366.909       197.6766 297.6676 11.87383 297.7595 6.782402 -0.9185791E-01 13.67439 
1 1 1 5   24 3  o 185.4234 4.077290 1686.625       74.00181 1727.000       150.7981 1673.818       84.93173 186.7760 8.268877 184.5875 4.704523 2.188477       9.513510 
1 1 1 5   24 4  o 210.4709 4.433545 2174.090       91.33756 2575.000       203.2343 2072.621       102.2450 227.8487 9.131136 205.4099 5.085275 22.43872       10.45168 
1 1 1 5   24 5  o 215.3608 4.506236 2276.569       94.99193 2578.000       205.3494 2194.507       107.1450 227.9358 9.223003 211.3445 5.179342 16.59129       10.57778 
1 1 1 5   24 6  o 122.9162 3.949392 741.8715       47.45494 703.4000       82.18723 761.1123       58.12273 119.2441 7.073215 124.4069 4.781948 -5.162796      8.537997 
1 1 1 5   24 7  o 124.0044 3.973242 755.1048       48.16453 0.000000       0.000000 755.1048       48.16453 ?        ?        124.0044 3.973242 ?              ?        
1 1 1 5   24 8  o 171.8663 5.482109 1453.671       92.10614 0.000000       0.000000 1453.671       92.10614 ?        ?        171.8663 5.482109 ?              ?        
1 1 1 5   24 9  o 116.3830 3.889344 665.2246       44.24475 670.3000       79.11939 662.9152       53.36977 116.3810 6.977400 116.0869 4.706600 0.2940369      8.416424 
1 1 1 5   24 10 o 150.5613 7.374497 1122.000       108.3500 1122.000       108.3500 0.000000       0.000000 150.5613 7.374497 ?        ?        ?              ?        
1 1 1 5   24 11 o 202.4449 6.201620 2020.969       122.7456 1961.000       168.3673 2089.000       179.3275 198.7025 8.677543 204.9987 8.958585 -6.296249      12.47221 
1 1 1 5   24 12 f 177.1763 4.546247 1543.062       78.77820 1820.000       149.7896 1437.172       92.62242 191.5764 8.005557 170.8015 5.547466 20.77492       9.739780 
1 1 1 5   24 13 o 168.5504 4.384172 1396.392       72.26944 1601.000       134.1390 1312.712       85.78424 179.7155 7.642865 163.2403 5.376092 16.47517       9.344289 
1 1 1 5   24 14 o 173.7258 3.903252 1481.624       66.37388 1830.000       146.5561 1391.730       74.44640 192.0373 7.813035 168.2245 4.525252 23.81282       9.028921 
1 1 1 5   24 15 o 110.7574 3.236029 602.2415       35.04494 650.8000       68.46282 585.0005       40.79473 114.6925 6.120533 109.0913 3.826316 5.601166       7.218145 
1 1 1 5   24 16 o 256.4418 5.982254 3245.528       150.1619 0.000000       0.000000 3245.528       150.1619 ?        ?        256.4418 5.982254 ?              ?        
1 1 1 5   24 17 o 39.89682 3.609307 78.79429       13.94280 144.0000       29.68280 60.33397       15.79362 53.72062 5.733437 34.68985 4.778064 19.03077       7.463390 
1 1 1 5   24 18 o 160.1617 3.700089 1260.183       58.00654 1445.000       118.9125 1202.472       66.44882 170.4881 7.141508 156.2797 4.348112 14.20840       8.361053 
1 1 1 5   24 19 o 105.7927 3.108731 549.8387       32.15685 635.5000       60.47079 516.0641       37.97071 113.3081 5.468429 102.3928 3.795118 10.91534       6.656323 
1 1 1 5   24 20 o 39.34307 9.252591 80.92491       35.02997 0.000000       0.000000 80.92491       35.02997 ?        ?        39.34307 9.252591 ?              ?        
1 1 1 5   24 21 o 74.88723 5.730268 279.3769       41.68478 0.000000       0.000000 279.3769       41.68478 ?        ?        74.88723 5.730268 ?              ?        
1 1 1 5   24 22 o 77.05068 5.663888 295.8697       42.41816 0.000000       0.000000 295.8697       42.41816 ?        ?        77.05068 5.663888 ?              ?        
1 1 1 5   24 23 o 82.25128 5.610496 337.2644       44.89956 0.000000       0.000000 337.2644       44.89956 ?        ?        82.25128 5.610496 ?              ?        
1 1 1 5   24 24 o 183.5981 6.064249 1680.931       108.8316 0.000000       0.000000 1680.931       108.8316 ?        ?        183.5981 6.064249 ?              ?        
1 1 1 5   24 25 o 65.06300 8.272075 217.8000       51.49172 0.000000       0.000000 217.8000       51.49172 ?        ?        65.06300 8.272075 ?              ?        
1 1 1 5   24 26 o 71.36211 8.053863 261.7000       55.27554 0.000000       0.000000 261.7000       55.27554 ?        ?        71.36211 8.053863 ?              ?        
1 1 1 5   24 27 o 115.8950 5.330538 670.5114       60.30832 0.000000       0.000000 670.5114       60.30832 ?        ?        115.8950 5.330538 ?              ?        
1 1 1 5   24 28 o 122.7351 7.748697 769.8000       92.61498 0.000000       0.000000 769.8000       92.61498 ?        ?        122.7351 7.748697 ?              ?        
1 1 1 5   24 29 o 36.14809 9.826685 70.76633       35.67464 0.000000       0.000000 70.76633       35.67464 ?        ?        36.14809 9.826685 ?              ?        
1 1 1 5   24 30 o 48.19069 8.249546 122.4513       37.51501 0.000000       0.000000 122.4513       37.51501 ?        ?        48.19069 8.249546 ?              ?        
1 1 1 5   24 31 o 95.77937 5.418866 460.9951       50.59545 0.000000       0.000000 460.9951       50.59545 ?        ?        95.77937 5.418866 ?              ?        
1 1 1 5   24 32 o 117.4478 5.342863 693.3289       61.26130 0.000000       0.000000 693.3289       61.26130 ?        ?        117.4478 5.342863 ?              ?        
1 1 1 5   24 33 o 38.15557 9.597270 80.13345       35.80517 0.000000       0.000000 80.13345       35.80517 ?        ?        38.15557 9.597270 ?              ?        
1 1 1 5   24 34 o 50.93945 7.765623 137.3839       37.49738 0.000000       0.000000 137.3839       37.49738 ?        ?        50.93945 7.765623 ?              ?        
1 1 1 5   24 35 o 95.07332 5.475762 458.9405       50.74208 0.000000       0.000000 458.9405       50.74208 ?        ?        95.07332 5.475762 ?              ?        
1 1 1 5   24 36 o 32.92028 9.955081 61.18160       34.79790 0.000000       0.000000 61.18160       34.79790 ?        ?        32.92028 9.955081 ?              ?        
1 1 1 5   24 37 o 56.84156 7.029424 170.9416       38.27777 0.000000       0.000000 170.9416       38.27777 ?        ?        56.84156 7.029424 ?              ?        
1 1 1 5   24 38 o 27.61486 9.771020 40.32986       32.99527 0.000000       0.000000 40.32986       32.99527 ?        ?        27.61486 9.771020 ?              ?        
1 1 1 5   24 39 o 68.36388 8.081007 254.0000       53.03112 0.000000       0.000000 254.0000       53.03112 ?        ?        68.36388 8.081007 ?              ?        
1 1 1 5   24 40 o 19.77416 8.573824 2.646589       30.68047 0.000000       0.000000 2.646589       30.68047 ?        ?        19.77416 8.573824 ?              ?        
1 1 1 5   24 41 o 64.80650 10.74096 248.0000       65.75019 0.000000       0.000000 248.0000       65.75019 ?        ?        64.80650 10.74096 ?              ?        
1 1 1 5   24 42 o 56.33414 6.775372 169.6237       36.61132 0.000000       0.000000 169.6237       36.61132 ?        ?        56.33414 6.775372 ?              ?        
1 1 1 5   24 43 o 49.72284 7.193223 134.3489       33.99345 0.000000       0.000000 134.3489       33.99345 ?        ?        49.72284 7.193223 ?              ?        
1 1 1 5   24 44 o 45.91034 7.622962 116.9110       33.05541 0.000000       0.000000 116.9110       33.05541 ?        ?        45.91034 7.622962 ?              ?        
1 1 1 5   24 45 o 69.31292 5.673309 252.0390       38.15430 0.000000       0.000000 252.0390       38.15430 ?        ?        69.31292 5.673309 ?              ?        
1 1 1 5   24 46 o 34.08305 9.214116 69.50101       31.46891 0.000000       0.000000 69.50101       31.46891 ?        ?        34.08305 9.214116 ?              ?        
1 1 1 5   24 47 o 19.45088 8.840364 -8.127000      36.73205 0.000000       0.000000 -8.127000      36.73205 ?        ?        19.45088 8.840364 ?              ?        
1 1 1 5   24 48 o 32.96485 9.373676 65.77971       31.67545 0.000000       0.000000 65.77971       31.67545 ?        ?        32.96485 9.373676 ?              ?        
1 1 1 5   24 49 o 39.68353 10.47393 99.29000       41.27181 0.000000       0.000000 99.29000       41.27181 ?        ?        39.68353 10.47393 ?              ?        
1 1 1 5   24 50 o 24.17485 10.56539 15.22000       47.37469 0.000000       0.000000 15.22000       47.37469 ?        ?        24.17485 10.56539 ?              ?        
1 1 1 5   24 51 o 21.59609 8.631274 20.00082       27.58373 0.000000       0.000000 20.00082       27.58373 ?        ?        21.59609 8.631274 ?              ?        
1 1 1 5   24 52 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   24 53 o 16.70240 7.468919 -2.873733      25.02246 0.000000       0.000000 -2.873733      25.02246 ?        ?        16.70240 7.468919 ?              ?        
1 1 1 5   24 54 o 15.30688 7.055353 -11.19884      24.51361 0.000000       0.000000 -11.19884      24.51361 ?        ?        15.30688 7.055353 ?              ?        
1 1 1 5   25 0  o 208.8789 4.407706 2141.893       90.11839 2584.000       204.3410 2035.141       100.4107 228.0886 9.171329 203.5111 5.040641 24.57750       10.46524 
1 1 1 5   25 1  o 97.25298 3.943412 464.7938       37.46103 558.1000       72.26150 430.5020       43.80727 106.1508 6.993647 93.49551 4.802940 12.65530       8.484063 
1 1 1 5   25 2  o 151.5560 5.176704 1130.269       76.68222 0.000000       0.000000 1130.269       76.68222 ?        ?        151.5560 5.176704 ?              ?        
1 1 1 5   25 3  o 133.7825 4.994568 880.7004       65.28906 940.6000       96.84772 830.8000       88.39542 137.8695 7.201507 129.5916 6.994541 8.277878       10.03919 
1 1 1 5   25 4  o 97.53762 3.389733 467.0536       32.31345 457.9000       68.04717 469.7187       36.71746 96.03580 7.293405 97.77271 3.844111 -1.736908      8.244450 
1 1 1 5   25 5  o 161.2623 3.789917 1275.839       59.82307 1161.000       116.2965 1317.160       69.76050 153.0451 7.788811 163.7318 4.356687 -10.68672      8.924478 
1 1 1 5   25 6  o 156.9520 3.725170 1208.516       57.22940 1405.000       125.0915 1156.505       64.35986 168.4252 7.607413 153.4181 4.290015 15.00708       8.733668 
1 1 1 5   25 7  o 151.5304 5.141754 1130.305       76.15311 1000.000       104.9849 1275.000       110.6303 142.0263 7.579268 160.5477 7.057096 -18.52145      10.35606 
1 1 1 5   25 8  o 109.5145 3.939248 589.3916       42.15830 0.000000       0.000000 589.3916       42.15830 ?        ?        109.5145 3.939248 ?              ?        
1 1 1 5   25 9  o 156.5690 4.312119 1204.866       66.02203 0.000000       0.000000 1204.866       66.02203 ?        ?        156.5690 4.312119 ?              ?        
1 1 1 5   25 10 o 174.8521 4.550244 1503.412       77.81128 1400.000       130.1528 1560.933       97.06861 167.9100 7.941509 177.9572 5.579482 -10.04724      9.705575 
1 1 1 5   25 11 o 159.8674 7.483651 1268.000       116.7812 1268.000       116.7812 0.000000       0.000000 159.8674 7.483651 ?        ?        ?              ?        
1 1 1 5   25 12 o 89.43266 5.037693 394.8417       43.92125 352.0000       55.27812 468.2000       72.33429 84.12276 6.770398 96.89111 7.690040 -12.76836      10.24573 
1 1 1 5   25 13 o 298.7396 5.898406 4403.332       172.4780 5219.000       384.7199 4198.149       192.9559 320.7397 12.27689 291.3250 6.766655 29.41473       14.01819 
1 1 1 5   25 14 o 83.35818 3.579429 341.7911       29.13768 363.9000       51.82563 331.5725       35.23366 85.59283 6.228496 81.99323 4.406276 3.599594       7.629511 
1 1 1 5   25 15 o 42.93201 4.000057 91.37004       16.61603 75.56000       32.34722 97.03708       19.36637 38.15337 8.835668 44.17604 4.543437 -6.022667      9.935384 
1 1 1 5   25 16 o 114.2600 3.810301 642.3334       42.55512 0.000000       0.000000 642.3334       42.55512 ?        ?        114.2600 3.810301 ?              ?        
1 1 1 5   25 17 o 100.5863 3.103355 497.1464       30.51805 580.2000       59.89714 468.0263       35.46688 108.1864 5.676089 97.50690 3.722888 10.67949       6.788069 
1 1 1 5   25 18 o 40.43530 3.313217 80.85394       12.99855 107.7000       25.60729 71.53545       15.08677 46.30043 5.775555 37.89985 4.133724 8.400581       7.102444 
1 1 1 5   25 19 o 75.12305 2.917382 277.5009       21.41147 288.1000       37.64940 272.4341       26.03090 76.19020 5.077362 74.34340 3.587770 1.846802       6.217049 
1 1 1 5   25 20 o 88.19672 5.501543 386.8609       47.25795 0.000000       0.000000 386.8609       47.25795 ?        ?        88.19672 5.501543 ?              ?        
1 1 1 5   25 21 o 114.5008 5.247051 650.8740       58.65083 0.000000       0.000000 650.8740       58.65083 ?        ?        114.5008 5.247051 ?              ?        
1 1 1 5   25 22 o 22.80632 9.274527 12.08614       32.45924 0.000000       0.000000 12.08614       32.45924 ?        ?        22.80632 9.274527 ?              ?        
1 1 1 5   25 23 o 112.7289 5.235956 632.2623       57.61685 0.000000       0.000000 632.2623       57.61685 ?        ?        112.7289 5.235956 ?              ?        
1 1 1 5   25 24 o 83.31300 7.588918 353.7000       61.20833 0.000000       0.000000 353.7000       61.20833 ?        ?        83.31300 7.588918 ?              ?        
1 1 1 5   25 25 o 88.04807 5.667654 388.5208       48.58659 0.000000       0.000000 388.5208       48.58659 ?        ?        88.04807 5.667654 ?              ?        
1 1 1 5   25 26 o 40.78417 9.459845 89.35756       37.03074 0.000000       0.000000 89.35756       37.03074 ?        ?        40.78417 9.459845 ?              ?        
1 1 1 5   25 27 o 27.88939 11.63183 16.96000       52.78702 0.000000       0.000000 16.96000       52.78702 ?        ?        27.88939 11.63183 ?              ?        
1 1 1 5   25 28 o 36.31817 10.02363 71.72032       36.79737 0.000000       0.000000 71.72032       36.79737 ?        ?        36.31817 10.02363 ?              ?        
1 1 1 5   25 29 o 65.50442 6.611826 219.2420       41.81377 0.000000       0.000000 219.2420       41.81377 ?        ?        65.50442 6.611826 ?              ?        
1 1 1 5   25 30 o 62.55462 6.731666 200.8192       40.57013 0.000000       0.000000 200.8192       40.57013 ?        ?        62.55462 6.731666 ?              ?        
1 1 1 5   25 31 o 48.66708 8.406336 126.1075       38.59751 0.000000       0.000000 126.1075       38.59751 ?        ?        48.66708 8.406336 ?              ?        
1 1 1 5   25 32 o 91.31536 5.644783 422.0708       50.20754 0.000000       0.000000 422.0708       50.20754 ?        ?        91.31536 5.644783 ?              ?        
1 1 1 5   25 33 f 73.74750 6.199906 278.8322       44.34069 0.000000       0.000000 278.8322       44.34069 ?        ?        73.74750 6.199906 ?              ?        
1 1 1 5   25 34 o 84.92091 5.760368 368.3159       47.59847 0.000000       0.000000 368.3159       47.59847 ?        ?        84.92091 5.760368 ?              ?        
1 1 1 5   25 35 o 89.80230 5.612881 412.3616       49.09106 0.000000       0.000000 412.3616       49.09106 ?        ?        89.80230 5.612881 ?              ?        
1 1 1 5   25 36 o 40.92454 9.038981 94.17329       35.24060 0.000000       0.000000 94.17329       35.24060 ?        ?        40.92454 9.038981 ?              ?        
1 1 1 5   25 37 o 24.68737 9.422327 27.85120       31.65317 0.000000       0.000000 27.85120       31.65317 ?        ?        24.68737 9.422327 ?              ?        
1 1 1 5   25 38 o 17.42323 8.231168 -32.34000      36.87638 0.000000       0.000000 -32.34000      36.87638 ?        ?        17.42323 8.231168 ?              ?        
1 1 1 5   25 39 o 21.35350 8.944528 11.28236       31.41619 0.000000       0.000000 11.28236       31.41619 ?        ?        21.35350 8.944528 ?              ?        
1 1 1 5   25 40 o 96.04181 8.655730 511.2000       80.49889 0.000000       0.000000 511.2000       80.49889 ?        ?        96.04181 8.655730 ?              ?        
1 1 1 5   25 41 o 87.57959 5.422982 396.2949       46.26064 0.000000       0.000000 396.2949       46.26064 ?        ?        87.57959 5.422982 ?              ?        
1 1 1 5   25 42 o 27.62578 9.492777 42.97227       31.01650 0.000000       0.000000 42.97227       31.01650 ?        ?        27.62578 9.492777 ?              ?        
1 1 1 5   25 43 o 34.97140 9.119350 72.13858       31.53405 0.000000       0.000000 72.13858       31.53405 ?        ?        34.97140 9.119350 ?              ?        
1 1 1 5   25 44 o 34.06265 9.116199 68.96102       30.99307 0.000000       0.000000 68.96102       30.99307 ?        ?        34.06265 9.116199 ?              ?        
1 1 1 5   25 45 o 41.17536 8.224277 97.18858       31.98598 0.000000       0.000000 97.18858       31.98598 ?        ?        41.17536 8.224277 ?              ?        
1 1 1 5   25 46 o 52.42445 9.135607 161.0000       45.17586 0.000000       0.000000 161.0000       45.17586 ?        ?        52.42445 9.135607 ?              ?        
1 1 1 5   25 47 o 55.23573 6.768249 166.0873       35.82960 0.000000       0.000000 166.0873       35.82960 ?        ?        55.23573 6.768249 ?              ?        
1 1 1 5   25 48 o 43.17090 10.13893 115.3000       42.10910 0.000000       0.000000 115.3000       42.10910 ?        ?        43.17090 10.13893 ?              ?        
1 1 1 5   25 49 o 26.47065 11.02491 32.72000       47.32687 0.000000       0.000000 32.72000       47.32687 ?        ?        26.47065 11.02491 ?              ?        
1 1 1 5   25 50 o 25.52214 8.969225 37.21017       27.76639 0.000000       0.000000 37.21017       27.76639 ?        ?        25.52214 8.969225 ?              ?        
1 1 1 5   25 51 o 39.95796 7.900882 92.09332       29.80649 0.000000       0.000000 92.09332       29.80649 ?        ?        39.95796 7.900882 ?              ?        
1 1 1 5   25 52 o 19.12257 8.045652 10.45440       25.59460 0.000000       0.000000 10.45440       25.59460 ?        ?        19.12257 8.045652 ?              ?        
1 1 1 5   25 53 o 22.92326 10.25784 10.29000       47.28593 0.000000       0.000000 10.29000       47.28593 ?        ?        22.92326 10.25784 ?              ?        
1 1 1 5   26 0  f 190.9420 4.152889 1790.257       77.61722 1740.000       154.3380 1807.271       89.79918 187.0933 8.449495 191.7436 4.784595 -4.650375      9.710114 
1 1 1 5   26 1  o 185.3756 4.071421 1687.198       73.87625 1740.000       151.8335 1670.820       84.56079 187.1369 8.309722 184.3189 4.690791 2.817978       9.542274 
1 1 1 5   26 2  o 71.80393 3.692531 253.6625       25.86530 254.0000       55.52166 253.5690       29.23100 71.14476 8.117949 71.73766 4.180964 -0.5929031     9.131350 
1 1 1 5   26 3  o 214.9409 4.527586 2270.170       95.25593 2228.000       188.6762 2284.596       110.3523 211.4499 9.137549 215.4780 5.232054 -4.028137      10.52944 
1 1 1 5   26 4  o 185.1179 4.081911 1682.728       73.96362 1759.000       152.6832 1659.342       84.54603 188.1131 8.312654 183.6674 4.706660 4.445709       9.552637 
1 1 1 5   26 5  o 194.1141 4.837092 1852.913       91.90678 1888.000       162.8405 1836.511       111.3343 194.7813 8.561923 192.9414 5.902124 1.839905       10.39911 
1 1 1 5   26 6  o 122.4740 3.910091 737.2048       46.81446 663.3000       81.49578 773.6027       57.19218 115.5660 7.240806 125.3535 4.669322 -9.787483      8.615789 
1 1 1 5   26 7  o 244.8451 4.993088 2949.792       119.6649 3434.000       264.1422 2824.751       134.2296 261.6981 10.33202 239.3969 5.728274 22.30124       11.81371 
1 1 1 5   26 8  o 143.4933 3.614691 1011.300       50.72981 1103.000       106.6600 984.4918       57.67044 149.0561 7.332986 141.4945 4.168515 7.561630       8.434999 
1 1 1 5   26 9  o 64.09271 5.432270 203.8534       33.75903 0.000000       0.000000 203.8534       33.75903 ?        ?        64.09271 5.432270 ?              ?        
1 1 1 5   26 10 o 121.8114 3.989269 729.8221       47.50085 0.000000       0.000000 729.8221       47.50085 ?        ?        121.8114 3.989269 ?              ?        
1 1 1 5   26 11 o 121.4552 3.383016 724.6634       40.17938 875.2000       84.62543 680.8523       45.65327 132.8346 6.528537 117.6396 3.970405 15.19498       7.641068 
1 1 1 5   26 12 o 52.75530 5.320619 138.6282       27.09981 124.1000       40.06915 150.8759       36.79028 49.17431 8.639780 54.72241 7.030751 -5.548103      11.13900 
1 1 1 5   26 13 o 79.60901 3.660192 312.0295       28.44518 318.2000       49.00356 308.8938       34.93290 79.93008 6.314679 79.08154 4.531850 0.8485489      7.772570 
1 1 1 5   26 14 o 123.3898 3.733415 749.0651       45.03931 715.1000       75.38299 767.9207       56.16652 119.9328 6.445066 124.7645 4.607092 -4.831673      7.922384 
1 1 1 5   26 15 o 91.32215 3.142237 409.9989       28.04619 491.8000       56.49506 383.2458       32.30855 99.51017 5.825597 88.20337 3.750754 11.30680       6.928617 
1 1 1 5   26 16 o 141.9446 3.488844 990.4623       48.47374 1172.000       100.9960 936.1268       55.25383 153.3400 6.745385 137.8204 4.100397 15.51961       7.893888 
1 1 1 5   26 17 o 115.6384 3.221633 657.6320       36.43014 854.6000       76.81332 600.4706       41.38000 131.0849 6.002496 110.3817 3.835729 20.70322       7.123396 
1 1 1 5   26 18 o 79.31753 2.976091 309.4880       23.06485 417.0000       45.54667 272.4089       26.74810 91.66631 5.096283 74.30196 3.689325 17.36434       6.291520 
1 1 1 5   26 19 o 91.89088 3.676092 416.4716       32.99800 0.000000       0.000000 416.4716       32.99800 ?        ?        91.89088 3.676092 ?              ?        
1 1 1 5   26 20 o 126.4427 5.335036 794.7031       65.88103 0.000000       0.000000 794.7031       65.88103 ?        ?        126.4427 5.335036 ?              ?        
1 1 1 5   26 21 f 43.74137 8.620497 100.3799       35.59590 0.000000       0.000000 100.3799       35.59590 ?        ?        43.74137 8.620497 ?              ?        
1 1 1 5   26 22 o 88.17941 5.519128 388.7217       47.39806 0.000000       0.000000 388.7217       47.39806 ?        ?        88.17941 5.519128 ?              ?        
1 1 1 5   26 23 o 57.35345 9.481714 173.7000       51.37120 0.000000       0.000000 173.7000       51.37120 ?        ?        57.35345 9.481714 ?              ?        
1 1 1 5   26 24 o 60.07028 6.823592 184.1258       39.41153 0.000000       0.000000 184.1258       39.41153 ?        ?        60.07028 6.823592 ?              ?        
1 1 1 5   26 25 o 68.70220 9.535738 249.4000       62.39909 0.000000       0.000000 249.4000       62.39909 ?        ?        68.70220 9.535738 ?              ?        
1 1 1 5   26 26 o 107.1000 7.888171 590.2000       82.11335 0.000000       0.000000 590.2000       82.11335 ?        ?        107.1000 7.888171 ?              ?        
1 1 1 5   26 27 o 24.00894 9.841177 14.47668       36.90208 0.000000       0.000000 14.47668       36.90208 ?        ?        24.00894 9.841177 ?              ?        
1 1 1 5   26 28 o 91.97967 5.755670 426.8496       51.55985 0.000000       0.000000 426.8496       51.55985 ?        ?        91.97967 5.755670 ?              ?        
1 1 1 5   26 29 o 27.75452 10.31483 34.91227       37.37734 0.000000       0.000000 34.91227       37.37734 ?        ?        27.75452 10.31483 ?              ?        
1 1 1 5   26 30 o 70.69584 6.397242 255.7467       43.78968 0.000000       0.000000 255.7467       43.78968 ?        ?        70.69584 6.397242 ?              ?        
1 1 1 5   26 31 o 59.52061 7.021166 184.1545       40.11932 0.000000       0.000000 184.1545       40.11932 ?        ?        59.52061 7.021166 ?              ?        
1 1 1 5   26 32 o 51.78680 7.756598 142.4613       38.10988 0.000000       0.000000 142.4613       38.10988 ?        ?        51.78680 7.756598 ?              ?        
1 1 1 5   26 33 o 29.09807 10.24677 44.35748       36.25284 0.000000       0.000000 44.35748       36.25284 ?        ?        29.09807 10.24677 ?              ?        
1 1 1 5   26 34 o 28.13745 10.11357 41.09505       35.48547 0.000000       0.000000 41.09505       35.48547 ?        ?        28.13745 10.11357 ?              ?        
1 1 1 5   26 35 o 36.63205 9.663658 77.06944       35.14454 0.000000       0.000000 77.06944       35.14454 ?        ?        36.63205 9.663658 ?              ?        
1 1 1 5   26 36 o 40.73677 10.77880 98.90000       43.63977 0.000000       0.000000 98.90000       43.63977 ?        ?        40.73677 10.77880 ?              ?        
1 1 1 5   26 37 o 37.22882 9.454923 80.11629       34.51385 0.000000       0.000000 80.11629       34.51385 ?        ?        37.22882 9.454923 ?              ?        
1 1 1 5   26 38 o 48.36773 12.60400 149.3000       60.26508 0.000000       0.000000 149.3000       60.26508 ?        ?        48.36773 12.60400 ?              ?        
1 1 1 5   26 39 o 20.99154 8.939278 8.482738       32.23655 0.000000       0.000000 8.482738       32.23655 ?        ?        20.99154 8.939278 ?              ?        
1 1 1 5   26 40 o 22.56659 9.098211 19.48782       30.93186 0.000000       0.000000 19.48782       30.93186 ?        ?        22.56659 9.098211 ?              ?        
1 1 1 5   26 41 o 44.75384 7.901022 111.6078       33.34639 0.000000       0.000000 111.6078       33.34639 ?        ?        44.75384 7.901022 ?              ?        
1 1 1 5   26 42 o 25.65362 9.402451 35.32516       30.87253 0.000000       0.000000 35.32516       30.87253 ?        ?        25.65362 9.402451 ?              ?        
1 1 1 5   26 43 o 35.73362 8.789596 75.01983       30.52770 0.000000       0.000000 75.01983       30.52770 ?        ?        35.73362 8.789596 ?              ?        
1 1 1 5   26 44 o 23.47808 9.039956 27.01854       29.30973 0.000000       0.000000 27.01854       29.30973 ?        ?        23.47808 9.039956 ?              ?        
1 1 1 5   26 45 o 62.05460 8.253887 218.4000       48.89262 0.000000       0.000000 218.4000       48.89262 ?        ?        62.05460 8.253887 ?              ?        
1 1 1 5   26 46 o 34.48068 10.71042 75.98000       39.93866 0.000000       0.000000 75.98000       39.93866 ?        ?        34.48068 10.71042 ?              ?        
1 1 1 5   26 47 o 24.10954 9.255472 29.65731       30.66027 0.000000       0.000000 29.65731       30.66027 ?        ?        24.10954 9.255472 ?              ?        
1 1 1 5   26 48 o 39.80619 12.04729 108.5000       50.94676 0.000000       0.000000 108.5000       50.94676 ?        ?        39.80619 12.04729 ?              ?        
1 1 1 5   26 49 o 24.72151 9.127604 33.61047       29.18189 0.000000       0.000000 33.61047       29.18189 ?        ?        24.72151 9.127604 ?              ?        
1 1 1 5   26 50 o 35.56104 8.518552 75.18024       29.26138 0.000000       0.000000 75.18024       29.26138 ?        ?        35.56104 8.518552 ?              ?        
1 1 1 5   26 51 o 23.44400 8.658208 30.04669       26.26063 0.000000       0.000000 30.04669       26.26063 ?        ?        23.44400 8.658208 ?              ?        
1 1 1 5   26 52 o 20.42429 8.259070 17.72011       25.57359 0.000000       0.000000 17.72011       25.57359 ?        ?        20.42429 8.259070 ?              ?        
1 1 1 5   27 0  o 100.6329 3.316817 497.4735       32.62675 567.3000       72.08602 479.4840       36.58900 106.8318 6.930982 98.73775 3.792883 8.094070       7.900916 
1 1 1 5   27 1  o 118.9203 3.382950 694.5984       39.33836 658.9000       80.56497 705.7740       45.07732 115.0996 7.186856 119.8116 3.848725 -4.711990      8.152520 
1 1 1 5   27 2  o 141.0128 3.571207 976.8213       49.25270 1001.000       101.1963 969.3159       56.38116 141.9132 7.309734 140.3852 4.107465 1.528015       8.384717 
1 1 1 5   27 3  o 121.9565 3.417615 730.5941       40.75736 931.2000       93.13782 683.0801       45.32784 136.9468 6.971063 117.8500 3.934946 19.09684       8.004969 
1 1 1 5   27 4  o 81.13335 4.597701 324.9018       36.36346 0.000000       0.000000 324.9018       36.36346 ?        ?        81.13335 4.597701 ?              ?        
1 1 1 5   27 5  o 99.18811 4.851667 485.5599       46.96099 498.5000       69.34784 474.6000       63.82154 100.0260 7.129684 97.68542 6.715554 2.340630       9.794440 
1 1 1 5   27 6  o 87.54993 4.041707 377.5540       34.54248 298.6000       60.54393 415.6574       42.05969 77.02631 8.153838 91.77059 4.697902 -14.74429      9.410386 
1 1 1 5   27 7  o 151.9659 4.283128 1136.800       63.64731 988.2000       105.7887 1221.107       79.68233 140.7558 7.707750 157.2960 5.182405 -16.54027      9.287989 
1 1 1 5   27 8  o 118.0640 3.929658 685.9291       45.34954 651.3000       80.28265 702.1566       54.95732 114.3035 7.212336 119.3122 4.715094 -5.008759      8.616838 
1 1 1 5   27 9  o 39.99913 5.508665 80.44524       20.99553 44.05000       45.29222 90.40659       23.69520 31.72774 11.42315 42.37535 5.870154 -10.64760      12.84317 
1 1 1 5   27 10 o 54.59808 4.877532 148.1116       25.79232 0.000000       0.000000 148.1116       25.79232 ?        ?        54.59808 4.877532 ?              ?        
1 1 1 5   27 11 o 102.1905 3.860109 514.3127       38.54206 0.000000       0.000000 514.3127       38.54206 ?        ?        102.1905 3.860109 ?              ?        
1 1 1 5   27 12 o 64.68742 3.622616 206.3621       22.84598 220.9000       42.71900 200.5386       27.03728 66.35448 6.667528 63.65495 4.365784 2.699535       7.969693 
1 1 1 5   27 13 o 179.5908 4.706736 1592.527       82.66767 1783.000       147.0737 1504.556       99.95116 188.4953 7.989406 174.1290 5.872625 14.36623       9.915560 
1 1 1 5   27 14 o 45.94576 4.211922 104.8916       18.73173 150.4000       38.55261 90.82826       21.43148 54.37568 7.438172 42.53588 5.259353 11.83981       9.109731 
1 1 1 5   27 15 o 86.62102 3.941988 370.3577       33.33535 418.1000       53.04699 339.2000       42.85405 91.56584 5.950863 82.59520 5.329112 8.970642       7.988255 
1 1 1 5   27 16 o 99.31843 3.163644 485.4165       30.71633 643.7000       64.68236 439.3285       34.90291 113.6776 5.832557 94.36771 3.786296 19.30991       6.953759 
1 1 1 5   27 17 o 68.07364 3.095035 228.2979       20.56899 253.1000       38.40878 218.3247       24.35592 71.18262 5.556516 66.46198 3.759234 4.720642       6.708704 
1 1 1 5   27 18 o 104.4640 3.084872 537.1236       31.50897 563.6000       58.83006 526.4735       37.31184 106.3029 5.674459 103.2949 3.696259 3.008041       6.772136 
1 1 1 5   27 19 o 84.31355 2.976590 350.0331       24.52679 0.000000       0.000000 350.0331       24.52679 ?        ?        84.31355 2.976590 ?              ?        
1 1 1 5   27 20 o 25.78391 9.766472 26.37955       33.84866 0.000000       0.000000 26.37955       33.84866 ?        ?        25.78391 9.766472 ?              ?        
1 1 1 5   27 21 o 69.36513 7.962233 247.7000       53.08176 0.000000       0.000000 247.7000       53.08176 ?        ?        69.36513 7.962233 ?              ?        
1 1 1 5   27 22 o 84.15664 7.649385 362.7000       62.32392 0.000000       0.000000 362.7000       62.32392 ?        ?        84.15664 7.649385 ?              ?        
1 1 1 5   27 23 o 62.08678 6.671023 196.5478       39.90612 0.000000       0.000000 196.5478       39.90612 ?        ?        62.08678 6.671023 ?              ?        
1 1 1 5   27 24 o 28.26671 11.76982 18.67000       53.91749 0.000000       0.000000 18.67000       53.91749 ?        ?        28.26671 11.76982 ?              ?        
1 1 1 5   27 25 o 111.3683 5.643107 623.7264       61.31521 0.000000       0.000000 623.7264       61.31521 ?        ?        111.3683 5.643107 ?              ?        
1 1 1 5   27 26 f 100.5549 5.673911 509.3944       55.61940 0.000000       0.000000 509.3944       55.61940 ?        ?        100.5549 5.673911 ?              ?        
1 1 1 5   27 27 o 74.92258 6.417670 286.3730       46.61193 0.000000       0.000000 286.3730       46.61193 ?        ?        74.92258 6.417670 ?              ?        
1 1 1 5   27 28 o 55.81702 7.972494 164.0001       42.32182 0.000000       0.000000 164.0001       42.32182 ?        ?        55.81702 7.972494 ?              ?        
1 1 1 5   27 29 o 61.98711 7.197666 199.7289       42.86059 0.000000       0.000000 199.7289       42.86059 ?        ?        61.98711 7.197666 ?              ?        
1 1 1 5   27 30 o 47.32124 8.910810 121.9300       39.76031 0.000000       0.000000 121.9300       39.76031 ?        ?        47.32124 8.910810 ?              ?        
1 1 1 5   27 31 o 59.04406 7.306028 183.4938       41.32442 0.000000       0.000000 183.4938       41.32442 ?        ?        59.04406 7.306028 ?              ?        
1 1 1 5   27 32 o 35.30866 10.13967 71.29897       36.88588 0.000000       0.000000 71.29897       36.88588 ?        ?        35.30866 10.13967 ?              ?        
1 1 1 5   27 33 o 94.29300 5.510448 455.1607       50.63791 0.000000       0.000000 455.1607       50.63791 ?        ?        94.29300 5.510448 ?              ?        
1 1 1 5   27 34 o 75.30576 5.834247 292.9681       42.66983 0.000000       0.000000 292.9681       42.66983 ?        ?        75.30576 5.834247 ?              ?        
1 1 1 5   27 35 o 59.78433 8.664231 197.9000       49.22583 0.000000       0.000000 197.9000       49.22583 ?        ?        59.78433 8.664231 ?              ?        
1 1 1 5   27 36 o 68.82827 6.166181 247.7070       41.10251 0.000000       0.000000 247.7070       41.10251 ?        ?        68.82827 6.166181 ?              ?        
1 1 1 5   27 37 o 43.76155 12.84137 124.6000       58.58548 0.000000       0.000000 124.6000       58.58548 ?        ?        43.76155 12.84137 ?              ?        
1 1 1 5   27 38 o 17.84011 8.134135 -11.96475      31.41101 0.000000       0.000000 -11.96475      31.41101 ?        ?        17.84011 8.134135 ?              ?        
1 1 1 5   27 39 o 103.2384 5.344725 550.3379       53.82593 0.000000       0.000000 550.3379       53.82593 ?        ?        103.2384 5.344725 ?              ?        
1 1 1 5   27 40 o 32.93965 9.571607 64.51329       32.68924 0.000000       0.000000 64.51329       32.68924 ?        ?        32.93965 9.571607 ?              ?        
1 1 1 5   27 41 o 40.66073 8.584051 95.41837       33.09023 0.000000       0.000000 95.41837       33.09023 ?        ?        40.66073 8.584051 ?              ?        
1 1 1 5   27 42 o 21.87747 8.903181 18.39260       29.93740 0.000000       0.000000 18.39260       29.93740 ?        ?        21.87747 8.903181 ?              ?        
1 1 1 5   27 43 o 18.70201 8.255523 0.2990425      29.58941 0.000000       0.000000 0.2990425      29.58941 ?        ?        18.70201 8.255523 ?              ?        
1 1 1 5   27 44 o 24.96863 10.07186 29.16000       37.92798 0.000000       0.000000 29.16000       37.92798 ?        ?        24.96863 10.07186 ?              ?        
1 1 1 5   27 45 o 23.85819 9.870103 23.22000       37.57324 0.000000       0.000000 23.22000       37.57324 ?        ?        23.85819 9.870103 ?              ?        
1 1 1 5   27 46 o 34.76361 9.283040 73.39288       32.18236 0.000000       0.000000 73.39288       32.18236 ?        ?        34.76361 9.283040 ?              ?        
1 1 1 5   27 47 o 23.22018 10.35417 7.021000       47.73172 0.000000       0.000000 7.021000       47.73172 ?        ?        23.22018 10.35417 ?              ?        
1 1 1 5   27 48 o 43.94263 7.701825 109.8776       31.92033 0.000000       0.000000 109.8776       31.92033 ?        ?        43.94263 7.701825 ?              ?        
1 1 1 5   27 49 o 14.48403 6.859082 -22.92451      25.89808 0.000000       0.000000 -22.92451      25.89808 ?        ?        14.48403 6.859082 ?              ?        
1 1 1 5   27 50 o 13.23142 6.398101 -32.83864      25.25034 0.000000       0.000000 -32.83864      25.25034 ?        ?        13.23142 6.398101 ?              ?        
1 1 1 5   27 51 o 19.83089 8.152613 14.97017       25.42088 0.000000       0.000000 14.97017       25.42088 ?        ?        19.83089 8.152613 ?              ?        
1 1 1 5   28 0  o 115.8291 3.353183 659.4135       37.97729 688.1000       82.03737 651.5892       42.84457 117.4481 7.170244 115.0684 3.809190 2.379738       8.119257 
1 1 1 5   28 1  o 81.52229 3.426202 326.9971       27.27886 267.9000       58.29727 343.5642       30.86657 72.77253 8.334348 83.51727 3.785616 -10.74474      9.153810 
1 1 1 5   28 2  o 119.0393 3.987412 697.6953       46.39534 625.9000       79.48219 734.8010       57.14029 111.9450 7.293402 122.0063 4.794024 -10.06134      8.727908 
1 1 1 5   28 3  o 106.8508 4.839825 563.9984       50.48759 571.1000       74.61093 558.0000       68.57128 106.9366 7.169461 105.8453 6.652217 1.091301       9.780244 
1 1 1 5   28 4  o 219.3307 5.302402 2375.554       113.8357 2308.000       195.9428 2409.972       139.8594 213.9817 9.377828 220.3328 6.492025 -6.351074      11.40570 
1 1 1 5   28 5  f 93.38653 4.057980 429.9206       37.00518 382.6000       65.16901 452.4392       44.95595 87.25053 7.710001 95.66669 4.816367 -8.416161      9.090736 
1 1 1 5   28 6  o 84.42418 4.000434 351.4864       32.96424 301.8000       60.20059 372.7640       39.39520 77.28822 8.076669 86.83401 4.651954 -9.545792      9.320581 
1 1 1 5   28 7  o 72.64290 4.228822 260.7352       29.93898 298.1000       58.09561 247.2237       34.93520 76.85555 7.831891 70.57677 5.091244 6.278770       9.341268 
1 1 1 5   28 8  o 93.87985 3.415778 433.7237       31.33600 493.4000       68.64529 418.0145       35.21977 99.26355 7.112175 92.08167 3.916518 7.181885       8.119246 
1 1 1 5   28 9  o 149.1172 4.184589 1096.322       61.01788 1196.000       112.7189 1055.006       72.57020 154.5282 7.474339 146.0217 5.085082 8.506470       9.040122 
1 1 1 5   28 10 o 119.4090 3.944893 702.8791       46.04493 0.000000       0.000000 702.8791       46.04493 ?        ?        119.4090 3.944893 ?              ?        
1 1 1 5   28 11 o 127.3054 3.992480 799.1738       49.68879 0.000000       0.000000 799.1738       49.68879 ?        ?        127.3054 3.992480 ?              ?        
1 1 1 5   28 12 o 52.30666 4.052895 135.6475       20.58872 138.8000       38.89273 134.4201       24.26799 52.01945 7.885185 51.92806 4.829845 0.9139633E-01  9.246813 
1 1 1 5   28 13 o 75.14629 5.671419 281.9640       41.40836 0.000000       0.000000 281.9640       41.40836 ?        ?        75.14629 5.671419 ?              ?        
1 1 1 5   28 14 o 147.1688 5.136359 1074.774       73.87730 1072.000       100.7561 1078.000       108.6460 146.0874 7.067119 146.1940 7.618674 -0.1065063     10.39175 
1 1 1 5   28 15 o 61.31815 3.436338 185.6862       20.54235 253.1000       42.28175 164.8569       23.50262 70.98682 6.145596 57.63359 4.194864 13.35323       7.440782 
1 1 1 5   28 16 o 112.1672 3.815723 621.3137       41.83272 0.000000       0.000000 621.3137       41.83272 ?        ?        112.1672 3.815723 ?              ?        
1 1 1 5   28 17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   28 18 o 64.37313 3.154158 204.5408       19.81391 275.2000       39.53253 180.8360       22.89755 74.10532 5.489000 60.38035 3.895026 13.72497       6.730553 
1 1 1 5   28 19 o 23.77604 4.375902 28.86612       9.808734 0.000000       0.000000 28.86612       9.808734 ?        ?        23.77604 4.375902 ?              ?        
1 1 1 5   28 20 o 81.25443 7.701718 338.8000       60.52365 0.000000       0.000000 338.8000       60.52365 ?        ?        81.25443 7.701718 ?              ?        
1 1 1 5   28 21 o 89.23403 7.505378 407.9000       64.94851 0.000000       0.000000 407.9000       64.94851 ?        ?        89.23403 7.505378 ?              ?        
1 1 1 5   28 22 o 43.14957 8.989258 99.76612       36.73296 0.000000       0.000000 99.76612       36.73296 ?        ?        43.14957 8.989258 ?              ?        
1 1 1 5   28 23 o 79.55106 8.830680 332.1000       67.60455 0.000000       0.000000 332.1000       67.60455 ?        ?        79.55106 8.830680 ?              ?        
1 1 1 5   28 24 o 76.02196 6.275350 293.8123       46.28085 0.000000       0.000000 293.8123       46.28085 ?        ?        76.02196 6.275350 ?              ?        
1 1 1 5   28 25 o 118.8263 5.561841 710.9415       64.51053 0.000000       0.000000 710.9415       64.51053 ?        ?        118.8263 5.561841 ?              ?        
1 1 1 5   28 26 o 32.55280 10.78357 56.64256       40.02426 0.000000       0.000000 56.64256       40.02426 ?        ?        32.55280 10.78357 ?              ?        
1 1 1 5   28 27 o 44.93438 9.726914 111.1529       41.53916 0.000000       0.000000 111.1529       41.53916 ?        ?        44.93438 9.726914 ?              ?        
1 1 1 5   28 28 o 63.87439 7.174792 212.6218       44.08357 0.000000       0.000000 212.6218       44.08357 ?        ?        63.87439 7.174792 ?              ?        
1 1 1 5   28 29 o 32.48421 10.40140 58.47778       37.40143 0.000000       0.000000 58.47778       37.40143 ?        ?        32.48421 10.40140 ?              ?        
1 1 1 5   28 30 o 51.34444 8.245059 142.5162       40.03514 0.000000       0.000000 142.5162       40.03514 ?        ?        51.34444 8.245059 ?              ?        
1 1 1 5   28 31 o 45.59644 9.074808 116.0268       39.07701 0.000000       0.000000 116.0268       39.07701 ?        ?        45.59644 9.074808 ?              ?        
1 1 1 5   28 32 o 67.17443 6.633297 236.8346       43.04671 0.000000       0.000000 236.8346       43.04671 ?        ?        67.17443 6.633297 ?              ?        
1 1 1 5   28 33 o 49.70072 7.912471 134.6674       37.20366 0.000000       0.000000 134.6674       37.20366 ?        ?        49.70072 7.912471 ?              ?        
1 1 1 5   28 34 f 23.92737 10.07960 15.65000       40.24934 0.000000       0.000000 15.65000       40.24934 ?        ?        23.92737 10.07960 ?              ?        
1 1 1 5   28 35 o 27.15228 9.754262 39.47137       33.00391 0.000000       0.000000 39.47137       33.00391 ?        ?        27.15228 9.754262 ?              ?        
1 1 1 5   28 36 o 38.07574 12.99765 94.53000       58.12503 0.000000       0.000000 94.53000       58.12503 ?        ?        38.07574 12.99765 ?              ?        
1 1 1 5   28 37 o 58.14902 6.833114 181.2932       38.15126 0.000000       0.000000 181.2932       38.15126 ?        ?        58.14902 6.833114 ?              ?        
1 1 1 5   28 38 o 90.35521 5.506309 423.7723       48.46778 0.000000       0.000000 423.7723       48.46778 ?        ?        90.35521 5.506309 ?              ?        
1 1 1 5   28 39 o 26.70497 9.655190 39.17753       32.39867 0.000000       0.000000 39.17753       32.39867 ?        ?        26.70497 9.655190 ?              ?        
1 1 1 5   28 40 o 27.75839 10.46211 43.12000       38.73104 0.000000       0.000000 43.12000       38.73104 ?        ?        27.75839 10.46211 ?              ?        
1 1 1 5   28 41 o 27.35528 9.418085 43.41150       30.53496 0.000000       0.000000 43.41150       30.53496 ?        ?        27.35528 9.418085 ?              ?        
1 1 1 5   28 42 o 29.79803 10.48782 54.31000       37.97494 0.000000       0.000000 54.31000       37.97494 ?        ?        29.79803 10.48782 ?              ?        
1 1 1 5   28 43 o 26.27481 10.27253 36.61000       38.29155 0.000000       0.000000 36.61000       38.29155 ?        ?        26.27481 10.27253 ?              ?        
1 1 1 5   28 44 o 37.45531 10.71274 90.16000       41.25335 0.000000       0.000000 90.16000       41.25335 ?        ?        37.45531 10.71274 ?              ?        
1 1 1 5   28 45 o 16.80984 7.738018 -12.74045      29.35149 0.000000       0.000000 -12.74045      29.35149 ?        ?        16.80984 7.738018 ?              ?        
1 1 1 5   28 46 o 27.82338 11.39059 41.75000       49.35976 0.000000       0.000000 41.75000       49.35976 ?        ?        27.82338 11.39059 ?              ?        
1 1 1 5   28 47 o 30.41926 9.352504 56.85542       30.54512 0.000000       0.000000 56.85542       30.54512 ?        ?        30.41926 9.352504 ?              ?        
1 1 1 5   28 48 f 26.49199 9.009727 41.50409       27.92500 0.000000       0.000000 41.50409       27.92500 ?        ?        26.49199 9.009727 ?              ?        
1 1 1 5   28 49 o 17.35887 7.708232 -0.6833000     26.17270 0.000000       0.000000 -0.6833000     26.17270 ?        ?        17.35887 7.708232 ?              ?        
1 1 1 5   28 50 o 24.60948 8.658502 35.52748       25.88117 0.000000       0.000000 35.52748       25.88117 ?        ?        24.60948 8.658502 ?              ?        
1 1 1 5   28 51 o 16.28456 7.369128 -4.864069      25.18800 0.000000       0.000000 -4.864069      25.18800 ?        ?        16.28456 7.369128 ?              ?        
1 1 1 5   29 0  o 124.4915 3.412699 762.5429       41.54645 789.3000       88.25174 754.9243       47.09121 125.5199 7.213356 123.7690 3.891903 1.750916       8.196305 
1 1 1 5   29 1  o 115.1342 3.983812 653.5939       44.82853 628.7000       79.26837 665.2991       54.35548 111.9551 7.272888 115.9694 4.798802 -4.014381      8.713404 
1 1 1 5   29 2  o 139.2730 4.059872 956.3373       55.28683 1005.000       102.0194 936.1037       65.78420 141.5900 7.386668 137.5619 4.893387 4.028137       8.860479 
1 1 1 5   29 3  o 76.60413 3.575670 289.2950       26.73720 321.9000       60.47791 281.3742       29.80847 79.76091 7.847942 75.46806 4.050084 4.292854       8.831386 
1 1 1 5   29 4  o 84.23163 3.452690 349.5082       28.40648 433.8000       65.01298 329.6187       31.58055 92.90403 7.205520 81.71091 3.960305 11.19312       8.222137 
1 1 1 5   29 5  o 62.32154 4.554044 192.7247       27.58884 263.7000       56.06518 170.0468       31.69138 72.01153 8.093964 58.30209 5.622974 13.70944       9.855460 
1 1 1 5   29 6  o 139.4849 4.993127 963.5351       68.06200 0.000000       0.000000 963.5351       68.06200 ?        ?        139.4849 4.993127 ?              ?        
1 1 1 5   29 7  o 42.03003 5.182924 88.74749       20.87147 80.51000       48.57732 90.61243       23.11364 39.06226 11.75111 42.35946 5.720669 -3.297195      13.06961 
1 1 1 5   29 8  o 22.52508 7.526924 24.18167       19.49085 7.123000       45.37415 28.04157       21.58361 25.35845 10.69334 24.04935 7.916850 1.309101       13.30504 
1 1 1 5   29 9  o 36.47864 6.103076 67.96106       21.02263 127.7000       48.23162 53.94995       23.35821 49.02103 10.37570 32.15048 7.551752 16.87055       12.83293 
1 1 1 5   29 10 o 88.00269 3.452047 381.8077       29.67806 412.7000       63.01989 373.0041       33.64213 90.43445 7.178152 86.87905 3.966518 3.555397       8.201166 
1 1 1 5   29 11 o 80.32521 4.044249 319.1673       31.69542 0.000000       0.000000 319.1673       31.69542 ?        ?        80.32521 4.044249 ?              ?        
1 1 1 5   29 12 o 57.14041 4.547626 162.5236       25.22546 0.000000       0.000000 162.5236       25.22546 ?        ?        57.14041 4.547626 ?              ?        
1 1 1 5   29 13 o 32.23999 5.790262 53.31117       17.60103 104.2000       35.21055 36.35914       20.32228 44.62825 8.367738 26.48062 7.500915 18.14763       11.23756 
1 1 1 5   29 14 o 94.25096 4.061173 439.7701       37.37861 569.1000       62.60569 368.1317       46.59481 106.5404 6.027938 85.77443 5.580040 20.76594       8.214188 
1 1 1 5   29 15 o 73.72614 3.258120 268.3011       23.45421 331.8000       46.65022 246.8204       27.13284 81.25584 5.905645 70.56588 3.943898 10.68996       7.101477 
1 1 1 5   29 16 o 118.1655 3.307341 688.7679       38.21628 894.8000       81.17651 630.1019       43.31680 133.4023 6.233955 112.8344 3.927999 20.56785       7.368268 
1 1 1 5   29 17 o 18.47699 6.029498 16.58099       12.53116 15.63000       26.32586 16.85958       14.24895 21.70598 8.508368 18.94161 6.435947 2.764366       10.66835 
1 1 1 5   29 18 o 33.40539 4.754028 56.53905       15.10651 0.000000       0.000000 56.53905       15.10651 ?        ?        33.40539 4.754028 ?              ?        
1 1 1 5   29 19 o 83.04496 3.538807 341.2670       28.69985 0.000000       0.000000 341.2670       28.69985 ?        ?        83.04496 3.538807 ?              ?        
1 1 1 5   29 20 o 44.09332 9.180883 104.5576       38.33493 0.000000       0.000000 104.5576       38.33493 ?        ?        44.09332 9.180883 ?              ?        
1 1 1 5   29 21 o 57.03648 7.307710 168.4199       39.86204 0.000000       0.000000 168.4199       39.86204 ?        ?        57.03648 7.307710 ?              ?        
1 1 1 5   29 22 o 120.2933 7.987384 748.8000       93.51586 0.000000       0.000000 748.8000       93.51586 ?        ?        120.2933 7.987384 ?              ?        
1 1 1 5   29 23 o 110.9141 5.584949 619.9459       60.43830 0.000000       0.000000 619.9459       60.43830 ?        ?        110.9141 5.584949 ?              ?        
1 1 1 5   29 24 o 108.9805 5.594891 599.6240       59.48269 0.000000       0.000000 599.6240       59.48269 ?        ?        108.9805 5.594891 ?              ?        
1 1 1 5   29 25 o 37.09812 10.56121 76.98000       40.18646 0.000000       0.000000 76.98000       40.18646 ?        ?        37.09812 10.56121 ?              ?        
1 1 1 5   29 26 o 86.96745 6.153781 386.4178       52.04646 0.000000       0.000000 386.4178       52.04646 ?        ?        86.96745 6.153781 ?              ?        
1 1 1 5   29 27 o 27.87372 10.44532 36.54121       38.48702 0.000000       0.000000 36.54121       38.48702 ?        ?        27.87372 10.44532 ?              ?        
1 1 1 5   29 28 o 36.19099 10.48170 75.05042       39.26001 0.000000       0.000000 75.05042       39.26001 ?        ?        36.19099 10.48170 ?              ?        
1 1 1 5   29 29 o 78.22920 6.273716 316.8838       47.63726 0.000000       0.000000 316.8838       47.63726 ?        ?        78.22920 6.273716 ?              ?        
1 1 1 5   29 30 o 27.88804 10.29646 39.74174       37.13388 0.000000       0.000000 39.74174       37.13388 ?        ?        27.88804 10.29646 ?              ?        
1 1 1 5   29 31 o 25.90321 9.961639 31.12622       35.56077 0.000000       0.000000 31.12622       35.56077 ?        ?        25.90321 9.961639 ?              ?        
1 1 1 5   29 32 o 80.59493 5.952738 337.2218       46.62886 0.000000       0.000000 337.2218       46.62886 ?        ?        80.59493 5.952738 ?              ?        
1 1 1 5   29 33 o 38.08537 11.15684 88.62000       44.25534 0.000000       0.000000 88.62000       44.25534 ?        ?        38.08537 11.15684 ?              ?        
1 1 1 5   29 34 o 47.42438 8.130126 124.6919       36.38269 0.000000       0.000000 124.6919       36.38269 ?        ?        47.42438 8.130126 ?              ?        
1 1 1 5   29 35 o 72.56853 10.08551 306.5000       69.70594 0.000000       0.000000 306.5000       69.70594 ?        ?        72.56853 10.08551 ?              ?        
1 1 1 5   29 36 o 17.89542 8.146662 -10.95046      31.35259 0.000000       0.000000 -10.95046      31.35259 ?        ?        17.89542 8.146662 ?              ?        
1 1 1 5   29 37 f 23.03434 9.157504 22.61539       30.88778 0.000000       0.000000 22.61539       30.88778 ?        ?        23.03434 9.157504 ?              ?        
1 1 1 5   29 38 o 49.86561 7.406533 137.0389       35.05467 0.000000       0.000000 137.0389       35.05467 ?        ?        49.86561 7.406533 ?              ?        
1 1 1 5   29 39 o 52.89962 7.104856 153.5623       35.85934 0.000000       0.000000 153.5623       35.85934 ?        ?        52.89962 7.104856 ?              ?        
1 1 1 5   29 40 o 29.24842 9.466809 51.30672       30.92590 0.000000       0.000000 51.30672       30.92590 ?        ?        29.24842 9.466809 ?              ?        
1 1 1 5   29 41 o 45.46958 9.905119 126.3000       42.83435 0.000000       0.000000 126.3000       42.83435 ?        ?        45.46958 9.905119 ?              ?        
1 1 1 5   29 42 o 25.22061 10.18838 30.68000       38.87342 0.000000       0.000000 30.68000       38.87342 ?        ?        25.22061 10.18838 ?              ?        
1 1 1 5   29 43 o 23.62346 9.884715 21.56000       38.30529 0.000000       0.000000 21.56000       38.30529 ?        ?        23.62346 9.884715 ?              ?        
1 1 1 5   29 44 o 44.22652 8.107482 112.5548       33.80441 0.000000       0.000000 112.5548       33.80441 ?        ?        44.22652 8.107482 ?              ?        
1 1 1 5   29 45 o 41.40993 12.16565 119.0000       52.55568 0.000000       0.000000 119.0000       52.55568 ?        ?        41.40993 12.16565 ?              ?        
1 1 1 5   29 46 o 17.51857 7.886905 -4.560762      28.42418 0.000000       0.000000 -4.560762      28.42418 ?        ?        17.51857 7.886905 ?              ?        
1 1 1 5   29 47 o 37.05702 8.493635 81.65593       30.14812 0.000000       0.000000 81.65593       30.14812 ?        ?        37.05702 8.493635 ?              ?        
1 1 1 5   29 48 o 23.20677 8.795220 28.81096       27.46021 0.000000       0.000000 28.81096       27.46021 ?        ?        23.20677 8.795220 ?              ?        
1 1 1 5   29 49 o 17.82523 7.760842 4.324934       25.35461 0.000000       0.000000 4.324934       25.35461 ?        ?        17.82523 7.760842 ?              ?        
1 1 1 5   29 50 o 15.91665 7.265743 -7.342360      25.15788 0.000000       0.000000 -7.342360      25.15788 ?        ?        15.91665 7.265743 ?              ?        
1 1 1 5   30 0  o 125.4302 3.916672 776.5267       48.02784 768.7000       88.20454 779.8252       57.26071 123.5053 7.329197 125.4742 4.670405 -1.968925      8.690789 
1 1 1 5   30 1  o 88.75834 3.805351 389.0104       32.98375 423.4000       66.43830 377.7621       37.99703 91.47694 7.485344 87.31831 4.460458 4.158630       8.713556 
1 1 1 5   30 2  o 114.8246 3.391090 649.5106       38.07189 714.5000       84.07583 632.7468       42.70074 119.0832 7.247291 113.2229 3.858602 5.860268       8.210483 
1 1 1 5   30 3  o 57.88383 4.066847 166.1280       22.89543 109.3000       51.76598 179.9480       25.52804 44.92524 11.66881 60.19782 4.362009 -15.27258      12.45746 
1 1 1 5   30 4  o 90.94456 3.975616 408.7811       35.30505 515.7000       68.78517 370.5399       41.13705 101.1865 6.987817 86.35947 4.886439 14.82701       8.526833 
1 1 1 5   30 5  o 35.62089 6.126438 64.97947       20.59084 112.8000       47.62663 53.98617       22.83529 45.80969 10.79897 32.14824 7.408884 13.66145       13.09616 
1 1 1 5   30 6  o 62.42837 3.976966 193.0781       24.17554 142.6000       52.60509 206.5937       27.22031 51.59743 10.76455 64.51291 4.335802 -12.91548      11.60494 
1 1 1 5   30 7  o 156.9001 4.325238 1217.855       66.36285 0.000000       0.000000 1217.855       66.36285 ?        ?        156.9001 4.325238 ?              ?        
1 1 1 5   30 8  o 57.45956 4.113263 163.9179       22.98120 175.0000       51.76406 161.1974       25.64733 57.72246 9.491324 56.86633 4.648182 0.8561287      10.56839 
1 1 1 5   30 9  o 46.35097 4.849039 107.6789       21.67475 108.9000       49.49380 107.3892       24.10958 44.72118 11.30309 46.14871 5.441848 -1.427532      12.54486 
1 1 1 5   30 10 f 60.97178 4.022744 184.4809       23.87394 205.8000       53.75924 179.2435       26.64556 62.79781 9.003042 59.97537 4.573335 2.822433       10.09803 
1 1 1 5   30 11 o 68.02827 3.646571 229.0235       24.19303 277.5000       49.15594 213.5273       27.79212 73.92076 6.872366 65.52288 4.358109 8.397881       8.137722 
1 1 1 5   30 12 o 52.31783 4.859141 137.1261       24.59932 0.000000       0.000000 137.1261       24.59932 ?        ?        52.31783 4.859141 ?              ?        
1 1 1 5   30 13 o 43.07104 4.562355 93.03497       18.94237 129.9000       36.57667 79.52410       22.14310 50.02179 7.718350 39.44690 5.917121 10.57489       9.725495 
1 1 1 5   30 14 o 94.44666 4.031493 442.2407       37.18421 541.1000       60.98841 383.7495       46.91199 103.6891 6.035163 87.47561 5.506809 16.21353       8.169953 
1 1 1 5   30 15 o 75.43906 3.313087 281.2467       24.40478 300.4000       45.99892 273.7432       28.79100 77.08315 6.147418 74.26608 3.975074 2.817078       7.320653 
1 1 1 5   30 16 o 36.93599 4.681590 68.88551       16.54614 66.63000       31.70337 69.72987       19.39750 35.16951 9.130284 36.94743 5.533669 -1.777920      10.67631 
1 1 1 5   30 17 o 98.24014 3.480855 477.3694       33.41906 413.6000       54.51750 515.7562       42.29805 90.39487 6.199018 101.8574 4.251847 -11.46254      7.517049 
1 1 1 5   30 18 o 24.80107 5.261926 31.88387       12.37775 0.000000       0.000000 31.88387       12.37775 ?        ?        24.80107 5.261926 ?              ?        
1 1 1 5   30 19 o 75.96070 3.013968 284.9794       22.36510 0.000000       0.000000 284.9794       22.36510 ?        ?        75.96070 3.013968 ?              ?        
1 1 1 5   30 20 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   30 21 o 63.02703 11.58498 222.4000       68.83781 0.000000       0.000000 222.4000       68.83781 ?        ?        63.02703 11.58498 ?              ?        
1 1 1 5   30 22 o 28.11667 10.41185 36.72304       38.02073 0.000000       0.000000 36.72304       38.02073 ?        ?        28.11667 10.41185 ?              ?        
1 1 1 5   30 23 o 139.3198 5.696076 981.7953       77.51361 0.000000       0.000000 981.7953       77.51361 ?        ?        139.3198 5.696076 ?              ?        
1 1 1 5   30 24 o 33.50540 10.75423 62.02248       39.96435 0.000000       0.000000 62.02248       39.96435 ?        ?        33.50540 10.75423 ?              ?        
1 1 1 5   30 25 o 77.74714 6.472642 311.7562       48.81108 0.000000       0.000000 311.7562       48.81108 ?        ?        77.74714 6.472642 ?              ?        
1 1 1 5   30 26 o 75.34977 6.450968 293.8344       47.12143 0.000000       0.000000 293.8344       47.12143 ?        ?        75.34977 6.450968 ?              ?        
1 1 1 5   30 27 o 92.13342 5.855747 435.7719       52.53545 0.000000       0.000000 435.7719       52.53545 ?        ?        92.13342 5.855747 ?              ?        
1 1 1 5   30 28 o 49.54142 8.757863 136.0505       40.91600 0.000000       0.000000 136.0505       40.91600 ?        ?        49.54142 8.757863 ?              ?        
1 1 1 5   30 29 o 57.99603 7.415803 180.3267       41.13623 0.000000       0.000000 180.3267       41.13623 ?        ?        57.99603 7.415803 ?              ?        
1 1 1 5   30 30 o 31.13029 10.19182 55.69254       35.79037 0.000000       0.000000 55.69254       35.79037 ?        ?        31.13029 10.19182 ?              ?        
1 1 1 5   30 31 o 65.00813 9.014091 237.0000       55.81686 0.000000       0.000000 237.0000       55.81686 ?        ?        65.00813 9.014091 ?              ?        
1 1 1 5   30 32 o 19.62928 8.757162 -4.351120      34.18601 0.000000       0.000000 -4.351120      34.18601 ?        ?        19.62928 8.757162 ?              ?        
1 1 1 5   30 33 o 66.71265 6.729455 236.8030       43.34348 0.000000       0.000000 236.8030       43.34348 ?        ?        66.71265 6.729455 ?              ?        
1 1 1 5   30 34 o 77.98489 10.11197 356.0000       75.37287 0.000000       0.000000 356.0000       75.37287 ?        ?        77.98489 10.11197 ?              ?        
1 1 1 5   30 35 o 41.48965 8.970302 99.69412       35.36658 0.000000       0.000000 99.69412       35.36658 ?        ?        41.48965 8.970302 ?              ?        
1 1 1 5   30 36 o 20.82468 8.807219 10.58343       30.92636 0.000000       0.000000 10.58343       30.92636 ?        ?        20.82468 8.807219 ?              ?        
1 1 1 5   30 37 o 21.73760 8.964166 16.44344       30.85909 0.000000       0.000000 16.44344       30.85909 ?        ?        21.73760 8.964166 ?              ?        
1 1 1 5   30 38 o 37.06967 9.043652 81.90512       32.51865 0.000000       0.000000 81.90512       32.51865 ?        ?        37.06967 9.043652 ?              ?        
1 1 1 5   30 39 o 46.65986 7.681234 122.6858       33.86202 0.000000       0.000000 122.6858       33.86202 ?        ?        46.65986 7.681234 ?              ?        
1 1 1 5   30 40 o 48.92110 7.578811 134.2298       35.11854 0.000000       0.000000 134.2298       35.11854 ?        ?        48.92110 7.578811 ?              ?        
1 1 1 5   30 41 o 31.26941 10.87783 62.54000       40.77830 0.000000       0.000000 62.54000       40.77830 ?        ?        31.26941 10.87783 ?              ?        
1 1 1 5   30 42 o 34.32067 10.88068 76.98000       41.00992 0.000000       0.000000 76.98000       41.00992 ?        ?        34.32067 10.88068 ?              ?        
1 1 1 5   30 43 o 21.64811 8.926569 17.75279       30.59764 0.000000       0.000000 17.75279       30.59764 ?        ?        21.64811 8.926569 ?              ?        
1 1 1 5   30 44 f 21.10360 8.789648 15.40688       30.08209 0.000000       0.000000 15.40688       30.08209 ?        ?        21.10360 8.789648 ?              ?        
1 1 1 5   30 45 o 19.55570 8.414483 7.939962       29.10819 0.000000       0.000000 7.939962       29.10819 ?        ?        19.55570 8.414483 ?              ?        
1 1 1 5   30 46 o 21.15346 8.629451 18.18900       28.20690 0.000000       0.000000 18.18900       28.20690 ?        ?        21.15346 8.629451 ?              ?        
1 1 1 5   30 47 o 27.79872 9.105409 47.53329       28.56527 0.000000       0.000000 47.53329       28.56527 ?        ?        27.79872 9.105409 ?              ?        
1 1 1 5   30 48 o 17.07092 7.633069 -1.615387      26.12852 0.000000       0.000000 -1.615387      26.12852 ?        ?        17.07092 7.633069 ?              ?        
1 1 1 5   30 49 o 25.18733 8.852904 38.55216       27.05159 0.000000       0.000000 38.55216       27.05159 ?        ?        25.18733 8.852904 ?              ?        
1 1 1 5   31 0  o 55.91411 5.630065 157.4242       30.39443 185.0000       52.22513 143.3000       37.37647 59.34916 9.294843 52.76772 7.442895 6.581440       11.90759 
1 1 1 5   31 1  o 89.25961 4.043444 394.5897       35.23574 335.4000       61.29946 423.7969       43.06050 80.95080 7.834021 92.29636 4.782690 -11.34556      9.178562 
1 1 1 5   31 2  o 95.11337 3.996200 447.8471       37.12157 543.9000       69.94218 410.1789       43.79967 103.6932 6.930798 90.74020 4.950086 12.95303       8.517001 
1 1 1 5   31 3  o 56.65367 5.036491 160.7462       27.63865 179.9000       52.67337 153.4689       32.46731 58.37128 9.548899 55.04501 6.129773 3.326275       11.34705 
1 1 1 5   31 4  o 85.59747 5.031978 365.5074       41.97454 328.9000       62.49120 395.6000       56.65843 79.98518 8.093077 88.47781 6.589517 -8.492630      10.43646 
1 1 1 5   31 5  o 59.50830 4.082909 175.9618       23.63817 163.8000       52.38978 179.0706       26.48760 55.38663 10.03282 59.92625 4.549638 -4.539612      11.01620 
1 1 1 5   31 6  o 98.46142 3.414152 478.6410       32.85471 592.2000       73.56216 450.3445       36.72061 108.0855 6.990632 95.36384 3.942371 12.72166       8.025660 
1 1 1 5   31 7  o 40.09083 5.514575 81.64994       21.06758 87.89000       47.99146 80.16038       23.44767 40.05087 11.58558 39.51163 6.272054 0.5392303      13.17438 
1 1 1 5   31 8  o 99.20396 3.414434 486.0021       33.10596 486.8000       70.59930 485.7772       37.48256 97.67359 7.440421 99.05415 3.873363 -1.380554      8.388254 
1 1 1 5   31 9  o 41.62815 5.287586 87.73418       21.05975 80.74000       47.12291 89.47977       23.54154 38.46940 11.57411 41.87898 5.906764 -3.409580      12.99422 
1 1 1 5   31 10 o 35.68330 6.085075 65.58227       20.49210 42.95000       45.35141 71.38856       22.97080 30.72246 11.37237 37.13028 6.560211 -6.407814      13.12887 
1 1 1 5   31 11 o 105.0021 3.357857 544.5539       34.46733 617.8000       70.27673 521.3547       39.55086 110.4841 6.527478 102.5603 3.947134 7.923729       7.628095 
1 1 1 5   31 12 o 62.73505 3.782676 195.3510       23.12029 230.3000       44.52092 182.4452       27.05443 67.11459 6.874072 60.41280 4.609941 6.701782       8.276740 
1 1 1 5   31 13 o 16.03584 6.966927 -2.054826      20.34178 0.000000       0.000000 -2.054826      20.34178 ?        ?        16.03584 6.966927 ?              ?        
1 1 1 5   31 14 o 24.83678 6.788949 32.31788       16.97300 13.97000       32.39010 39.26329       19.92822 22.82378 9.270926 27.27300 7.314812 -4.449221      11.80917 
1 1 1 5   31 15 o 52.45650 5.296949 139.0575       26.82546 149.4000       38.96593 129.7397       36.98537 53.52097 7.655805 49.73148 7.858657 3.789482       10.97132 
1 1 1 5   31 16 o 83.12204 3.499526 342.2473       28.40919 414.3000       50.66776 309.2087       34.30971 90.58064 5.744246 78.69991 4.472268 11.88072       7.279942 
1 1 1 5   31 17 o 18.21362 6.363669 15.20111       13.96430 0.000000       0.000000 15.20111       13.96430 ?        ?        18.21362 6.363669 ?              ?        
1 1 1 5   31 18 o 100.7459 3.177113 501.7151       31.29124 0.000000       0.000000 501.7151       31.29124 ?        ?        100.7459 3.177113 ?              ?        
1 1 1 5   31 19 o 50.63717 3.245713 127.2382       16.00269 0.000000       0.000000 127.2382       16.00269 ?        ?        50.63717 3.245713 ?              ?        
1 1 1 5   31 20 o 127.6077 5.579239 822.5846       69.51958 0.000000       0.000000 822.5846       69.51958 ?        ?        127.6077 5.579239 ?              ?        
1 1 1 5   31 21 o 91.48465 5.955963 425.9226       53.04433 0.000000       0.000000 425.9226       53.04433 ?        ?        91.48465 5.955963 ?              ?        
1 1 1 5   31 22 o 39.46958 12.28233 90.92000       52.49586 0.000000       0.000000 90.92000       52.49586 ?        ?        39.46958 12.28233 ?              ?        
1 1 1 5   31 23 o 68.26082 10.88330 263.1000       70.27744 0.000000       0.000000 263.1000       70.27744 ?        ?        68.26082 10.88330 ?              ?        
1 1 1 5   31 24 o 40.35383 10.19816 93.16785       40.29339 0.000000       0.000000 93.16785       40.29339 ?        ?        40.35383 10.19816 ?              ?        
1 1 1 5   31 25 o 53.31065 8.361467 154.6360       42.19788 0.000000       0.000000 154.6360       42.19788 ?        ?        53.31065 8.361467 ?              ?        
1 1 1 5   31 26 o 28.09647 10.42220 40.27548       38.12596 0.000000       0.000000 40.27548       38.12596 ?        ?        28.09647 10.42220 ?              ?        
1 1 1 5   31 27 o 36.80701 10.18937 79.49177       37.96027 0.000000       0.000000 79.49177       37.96027 ?        ?        36.80701 10.18937 ?              ?        
1 1 1 5   31 28 o 50.39283 8.217918 139.8502       39.13995 0.000000       0.000000 139.8502       39.13995 ?        ?        50.39283 8.217918 ?              ?        
1 1 1 5   31 29 o 38.35518 9.863451 86.47813       37.23701 0.000000       0.000000 86.47813       37.23701 ?        ?        38.35518 9.863451 ?              ?        
1 1 1 5   31 30 o 60.74837 9.293741 209.7000       53.50838 0.000000       0.000000 209.7000       53.50838 ?        ?        60.74837 9.293741 ?              ?        
1 1 1 5   31 31 o 34.87024 10.05518 72.49734       36.20304 0.000000       0.000000 72.49734       36.20304 ?        ?        34.87024 10.05518 ?              ?        
1 1 1 5   31 32 o 28.42034 11.91110 34.13000       55.75705 0.000000       0.000000 34.13000       55.75705 ?        ?        28.42034 11.91110 ?              ?        
1 1 1 5   31 33 o 41.43292 9.003957 99.53228       35.47078 0.000000       0.000000 99.53228       35.47078 ?        ?        41.43292 9.003957 ?              ?        
1 1 1 5   31 34 o 43.36441 8.487267 107.4698       34.73499 0.000000       0.000000 107.4698       34.73499 ?        ?        43.36441 8.487267 ?              ?        
1 1 1 5   31 35 o 23.14406 9.170593 23.61094       30.87852 0.000000       0.000000 23.61094       30.87852 ?        ?        23.14406 9.170593 ?              ?        
1 1 1 5   31 36 o 20.88015 8.816846 11.85638       30.91445 0.000000       0.000000 11.85638       30.91445 ?        ?        20.88015 8.816846 ?              ?        
1 1 1 5   31 37 o 47.52523 7.709475 127.1563       34.63595 0.000000       0.000000 127.1563       34.63595 ?        ?        47.52523 7.709475 ?              ?        
1 1 1 5   31 38 o 28.99608 9.513731 50.87241       31.17901 0.000000       0.000000 50.87241       31.17901 ?        ?        28.99608 9.513731 ?              ?        
1 1 1 5   31 39 o 29.01470 10.61538 51.07000       39.32451 0.000000       0.000000 51.07000       39.32451 ?        ?        29.01470 10.61538 ?              ?        
1 1 1 5   31 40 o 22.41427 9.644794 14.00000       38.24493 0.000000       0.000000 14.00000       38.24493 ?        ?        22.41427 9.644794 ?              ?        
1 1 1 5   31 41 o 32.46300 10.85624 68.74000       40.54547 0.000000       0.000000 68.74000       40.54547 ?        ?        32.46300 10.85624 ?              ?        
1 1 1 5   31 42 o 16.99863 8.352795 -71.27000      48.20306 0.000000       0.000000 -71.27000      48.20306 ?        ?        16.99863 8.352795 ?              ?        
1 1 1 5   31 43 o 22.60587 9.097169 23.09564       30.86262 0.000000       0.000000 23.09564       30.86262 ?        ?        22.60587 9.097169 ?              ?        
1 1 1 5   31 44 o 27.33489 9.349300 45.18987       30.07699 0.000000       0.000000 45.18987       30.07699 ?        ?        27.33489 9.349300 ?              ?        
1 1 1 5   31 45 o 16.69807 7.600430 -7.534654      27.27617 0.000000       0.000000 -7.534654      27.27617 ?        ?        16.69807 7.600430 ?              ?        
1 1 1 5   31 46 f 34.45199 8.761294 72.78212       29.60809 0.000000       0.000000 72.78212       29.60809 ?        ?        34.45199 8.761294 ?              ?        
1 1 1 5   31 47 o 19.38590 8.176383 11.97190       26.53629 0.000000       0.000000 11.97190       26.53629 ?        ?        19.38590 8.176383 ?              ?        
1 1 1 5   31 48 o 15.58438 7.184412 -10.14173      25.43322 0.000000       0.000000 -10.14173      25.43322 ?        ?        15.58438 7.184412 ?              ?        
1 1 1 5   32 0  o 137.4990 3.537360 934.2068       47.56901 988.4000       100.6560 918.6227       53.97703 139.2133 7.413467 136.1425 4.055023 3.070831       8.450012 
1 1 1 5   32 1  o 58.77348 6.449516 175.9954       36.49470 144.3000       51.44656 208.1000       51.77763 51.49435 10.56150 63.05996 8.613354 -11.56561      13.62847 
1 1 1 5   32 2  o 37.60041 7.121258 73.84746       25.25001 24.91000       46.27902 94.59006       30.12971 27.76842 11.15201 42.54763 7.508999 -14.77921      13.44442 
1 1 1 5   32 3  o 104.2582 4.024470 539.0248       40.99290 539.3000       73.32689 538.8997       49.44035 102.7462 7.339405 103.9307 4.873518 -1.184525      8.810110 
1 1 1 5   32 4  o 65.93163 3.857159 215.7816       24.78373 302.6000       58.05171 196.4306       27.40693 76.56780 7.857079 62.73577 4.492869 13.83204       9.050942 
1 1 1 5   32 5  o 68.91020 3.786365 235.5571       25.44134 318.7000       58.60285 216.2479       28.24150 78.65515 7.710733 65.85869 4.406302 12.79646       8.880930 
1 1 1 5   32 6  o 58.69756 4.165366 171.6380       23.77655 99.38000       52.15952 190.5910       26.71342 42.14792 12.04296 61.79511 4.446128 -19.64719      12.83748 
1 1 1 5   32 7  o 91.84345 3.466806 417.2142       31.11026 374.7000       63.45936 430.6644       35.69377 85.29033 7.683622 93.17803 3.922338 -7.887703      8.626864 
1 1 1 5   32 8  o 128.1613 3.491841 812.1408       43.76355 990.2000       96.22092 765.6996       49.14043 139.3738 7.076292 124.2230 4.046789 15.15077       8.151712 
1 1 1 5   32 9  o 94.45714 3.971648 442.9119       36.63883 318.5000       61.76784 510.4495       45.50972 78.24767 8.185607 101.1727 4.607615 -22.92501      9.393310 
1 1 1 5   32 10 o 58.00103 4.093298 167.6825       23.08963 180.3000       48.65692 164.0154       26.23123 58.36406 8.789611 57.18757 4.728310 1.176491       9.980690 
1 1 1 5   32 11 o 111.5576 3.393633 615.4709       37.01390 831.1000       81.12197 558.7769       41.59618 127.9351 6.499320 106.0697 4.013654 21.86534       7.638755 
1 1 1 5   32 12 o 69.03014 3.667324 236.5343       24.69068 275.4000       46.66574 221.4242       29.09709 73.41476 6.563095 66.54719 4.493319 6.867569       7.953876 
1 1 1 5   32 13 o 57.26716 4.628831 164.4919       25.72582 0.000000       0.000000 164.4919       25.72582 ?        ?        57.26716 4.628831 ?              ?        
1 1 1 5   32 14 o 71.31657 4.150477 253.5318       28.84788 0.000000       0.000000 253.5318       28.84788 ?        ?        71.31657 4.150477 ?              ?        
1 1 1 5   32 15 o 68.58727 5.230162 237.2550       34.84795 271.6000       44.87840 185.1000       55.30360 72.91422 6.351411 58.24109 10.06495 14.67313       11.90141 
1 1 1 5   32 16 o 33.18613 6.490741 57.78930       20.32856 0.000000       0.000000 57.78930       20.32856 ?        ?        33.18613 6.490741 ?              ?        
1 1 1 5   32 17 o 70.67641 3.391744 247.7878       23.39561 0.000000       0.000000 247.7878       23.39561 ?        ?        70.67641 3.391744 ?              ?        
1 1 1 5   32 18 o 94.05651 3.537777 439.0641       32.51253 0.000000       0.000000 439.0641       32.51253 ?        ?        94.05651 3.537777 ?              ?        
1 1 1 5   32 19 o 86.15369 5.970346 378.6848       50.03626 0.000000       0.000000 378.6848       50.03626 ?        ?        86.15369 5.970346 ?              ?        
1 1 1 5   32 20 o 60.97033 7.357324 195.4180       43.02144 0.000000       0.000000 195.4180       43.02144 ?        ?        60.97033 7.357324 ?              ?        
1 1 1 5   32 21 o 68.68517 6.783377 245.6970       45.01050 0.000000       0.000000 245.6970       45.01050 ?        ?        68.68517 6.783377 ?              ?        
1 1 1 5   32 22 o 32.85189 10.49842 61.16203       38.11665 0.000000       0.000000 61.16203       38.11665 ?        ?        32.85189 10.49842 ?              ?        
1 1 1 5   32 23 o 60.89380 7.416224 197.3662       43.29344 0.000000       0.000000 197.3662       43.29344 ?        ?        60.89380 7.416224 ?              ?        
1 1 1 5   32 24 o 66.53873 9.732514 250.0000       61.51325 0.000000       0.000000 250.0000       61.51325 ?        ?        66.53873 9.732514 ?              ?        
1 1 1 5   32 25 o 36.41978 13.13303 82.13000       59.89408 0.000000       0.000000 82.13000       59.89408 ?        ?        36.41978 13.13303 ?              ?        
1 1 1 5   32 26 o 94.09204 5.732274 457.4318       52.54368 0.000000       0.000000 457.4318       52.54368 ?        ?        94.09204 5.732274 ?              ?        
1 1 1 5   32 27 o 82.26760 6.002105 352.6548       47.99990 0.000000       0.000000 352.6548       47.99990 ?        ?        82.26760 6.002105 ?              ?        
1 1 1 5   32 28 o 62.83741 7.007841 211.4067       42.37038 0.000000       0.000000 211.4067       42.37038 ?        ?        62.83741 7.007841 ?              ?        
1 1 1 5   32 29 o 35.40964 11.33356 77.58000       44.40890 0.000000       0.000000 77.58000       44.40890 ?        ?        35.40964 11.33356 ?              ?        
1 1 1 5   32 30 o 44.68816 8.704244 113.6674       36.70461 0.000000       0.000000 113.6674       36.70461 ?        ?        44.68816 8.704244 ?              ?        
1 1 1 5   32 31 o 36.39330 13.00667 88.44000       58.60123 0.000000       0.000000 88.44000       58.60123 ?        ?        36.39330 13.00667 ?              ?        
1 1 1 5   32 32 o 59.70184 6.653043 191.3293       38.21910 0.000000       0.000000 191.3293       38.21910 ?        ?        59.70184 6.653043 ?              ?        
1 1 1 5   32 33 o 37.71037 9.158473 84.01142       33.46472 0.000000       0.000000 84.01142       33.46472 ?        ?        37.71037 9.158473 ?              ?        
1 1 1 5   32 34 o 28.35053 9.616198 47.32213       31.80874 0.000000       0.000000 47.32213       31.80874 ?        ?        28.35053 9.616198 ?              ?        
1 1 1 5   32 35 o 50.70786 7.174968 142.2074       34.61877 0.000000       0.000000 142.2074       34.61877 ?        ?        50.70786 7.174968 ?              ?        
1 1 1 5   32 36 o 43.63838 8.170158 109.6465       33.61611 0.000000       0.000000 109.6465       33.61611 ?        ?        43.63838 8.170158 ?              ?        
1 1 1 5   32 37 o 46.64075 7.750967 123.3385       34.14420 0.000000       0.000000 123.3385       34.14420 ?        ?        46.64075 7.750967 ?              ?        
1 1 1 5   32 38 o 32.81402 10.83225 69.83000       40.39720 0.000000       0.000000 69.83000       40.39720 ?        ?        32.81402 10.83225 ?              ?        
1 1 1 5   32 39 o 19.11903 8.798828 -11.83000      37.91794 0.000000       0.000000 -11.83000      37.91794 ?        ?        19.11903 8.798828 ?              ?        
1 1 1 5   32 40 f 21.45163 8.925479 16.57313       30.97330 0.000000       0.000000 16.57313       30.97330 ?        ?        21.45163 8.925479 ?              ?        
1 1 1 5   32 41 o 43.59861 12.15584 132.4000       53.81602 0.000000       0.000000 132.4000       53.81602 ?        ?        43.59861 12.15584 ?              ?        
1 1 1 5   32 42 o 51.33801 7.170518 147.5807       35.05099 0.000000       0.000000 147.5807       35.05099 ?        ?        51.33801 7.170518 ?              ?        
1 1 1 5   32 43 o 17.75437 7.960688 -2.838928      28.63295 0.000000       0.000000 -2.838928      28.63295 ?        ?        17.75437 7.960688 ?              ?        
1 1 1 5   32 44 o 25.52422 9.219420 38.38080       29.53130 0.000000       0.000000 38.38080       29.53130 ?        ?        25.52422 9.219420 ?              ?        
1 1 1 5   32 45 o 34.88912 8.745170 74.81108       29.80397 0.000000       0.000000 74.81108       29.80397 ?        ?        34.88912 8.745170 ?              ?        
1 1 1 5   32 46 o 16.76953 7.595007 -4.601750      26.82345 0.000000       0.000000 -4.601750      26.82345 ?        ?        16.76953 7.595007 ?              ?        
1 1 1 5   33 0  o 62.30547 5.488395 196.1205       33.12990 0.000000       0.000000 196.1205       33.12990 ?        ?        62.30547 5.488395 ?              ?        
1 1 1 5   33 1  f 73.43530 4.337283 268.9410       31.03776 291.9000       58.01272 259.7336       36.73797 74.88348 8.040422 71.84860 5.260303 3.034874       9.608287 
1 1 1 5   33 2  o 43.27070 5.977808 95.96289       24.64310 103.5000       48.88847 93.39550       28.53320 42.92359 11.43228 42.28475 7.148343 0.6388435      13.48317 
1 1 1 5   33 3  o 51.38168 5.200089 133.3849       25.79359 142.6000       50.79717 130.1834       29.94071 50.90247 10.54233 50.42918 6.195657 0.4732895      12.22812 
1 1 1 5   33 4  o 74.27262 3.604577 273.5722       26.12706 250.6000       56.67987 279.7704       29.44154 69.01305 8.574965 74.99042 4.025717 -5.977364      9.472931 
1 1 1 5   33 5  o 50.72261 4.615086 129.2078       22.66266 120.1000       49.01786 131.6840       25.55828 46.38794 10.96911 51.04182 5.187626 -4.653877      12.13396 
1 1 1 5   33 6  o 102.9310 3.412748 524.3176       34.33648 600.4000       73.57244 503.1313       38.82398 108.3006 6.977427 100.6391 3.948852 7.661446       8.017351 
1 1 1 5   33 7  o 32.14312 6.709448 54.33382       20.42664 36.77000       45.12388 58.86059       22.90821 29.26655 11.23005 33.33744 7.228913 -4.070898      13.35557 
1 1 1 5   33 8  o 40.34705 5.497089 83.16352       21.14548 58.92000       44.56218 90.20866       24.02223 33.37946 11.38094 41.87836 6.034173 -8.498898      12.88165 
1 1 1 5   33 9  o 44.54286 5.015552 100.4458       21.48803 95.44000       45.85887 101.8541       24.32349 41.19328 11.11739 44.64825 5.695101 -3.454971      12.49121 
1 1 1 5   33 10 o 30.80962 6.866086 50.19183       20.17668 48.61000       45.39134 50.58134       22.52424 31.38265 11.41667 30.78029 7.537274 0.6023560      13.68031 
1 1 1 5   33 11 o 36.56506 5.735413 68.90228       19.85289 74.98000       36.03601 66.25377       23.78847 36.84794 9.815666 35.40305 7.111804 1.444893       12.12126 
1 1 1 5   33 12 o 51.41319 4.305562 132.5462       21.46878 172.3000       39.47516 115.8493       25.58308 57.55338 7.161734 47.64389 5.592116 9.909489       9.086374 
1 1 1 5   33 13 o 93.61388 3.717358 435.4272       33.99512 482.0000       59.59358 412.9611       41.39019 97.16737 6.299703 90.76797 4.674378 6.399391       7.844493 
1 1 1 5   33 14 o 78.03007 4.619198 305.4371       35.12265 0.000000       0.000000 305.4371       35.12265 ?        ?        78.03007 4.619198 ?              ?        
1 1 1 5   33 15 o 31.00574 6.256221 50.54005       18.33165 47.20000       32.66917 52.07504       22.14696 29.76214 9.736890 31.16735 7.375210 -1.405205      12.21478 
1 1 1 5   33 16 o 42.19955 7.604946 94.94933       30.25776 0.000000       0.000000 94.94933       30.25776 ?        ?        42.19955 7.604946 ?              ?        
1 1 1 5   33 17 o 77.63109 9.795385 331.0000       72.77883 0.000000       0.000000 331.0000       72.77883 ?        ?        77.63109 9.795385 ?              ?        
1 1 1 5   33 18 o 32.06038 4.642798 52.59523       14.14624 0.000000       0.000000 52.59523       14.14624 ?        ?        32.06038 4.642798 ?              ?        
1 1 1 5   33 19 o 21.13033 4.652009 23.28850       9.360728 0.000000       0.000000 23.28850       9.360728 ?        ?        21.13033 4.652009 ?              ?        
1 1 1 5   33 20 o 30.77690 10.45358 52.49967       37.59101 0.000000       0.000000 52.49967       37.59101 ?        ?        30.77690 10.45358 ?              ?        
1 1 1 5   33 21 o 16.74895 7.956611 -35.64832      35.38517 0.000000       0.000000 -35.64832      35.38517 ?        ?        16.74895 7.956611 ?              ?        
1 1 1 5   33 22 o 25.30483 9.935767 27.88381       35.95134 0.000000       0.000000 27.88381       35.95134 ?        ?        25.30483 9.935767 ?              ?        
1 1 1 5   33 23 o 56.25669 7.534856 170.8031       40.44879 0.000000       0.000000 170.8031       40.44879 ?        ?        56.25669 7.534856 ?              ?        
1 1 1 5   33 24 o 31.91243 10.48540 59.50846       37.86761 0.000000       0.000000 59.50846       37.86761 ?        ?        31.91243 10.48540 ?              ?        
1 1 1 5   33 25 o 38.17721 10.17128 86.86438       38.69080 0.000000       0.000000 86.86438       38.69080 ?        ?        38.17721 10.17128 ?              ?        
1 1 1 5   33 26 o 44.14821 11.80878 122.8000       52.02326 0.000000       0.000000 122.8000       52.02326 ?        ?        44.14821 11.80878 ?              ?        
1 1 1 5   33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   33 28 o 34.19464 11.45437 72.72000       45.13391 0.000000       0.000000 72.72000       45.13391 ?        ?        34.19464 11.45437 ?              ?        
1 1 1 5   33 29 o 29.60452 10.10831 51.38044       35.15568 0.000000       0.000000 51.38044       35.15568 ?        ?        29.60452 10.10831 ?              ?        
1 1 1 5   33 30 o 37.02803 13.20141 93.82000       60.33265 0.000000       0.000000 93.82000       60.33265 ?        ?        37.02803 13.20141 ?              ?        
1 1 1 5   33 31 o 23.81152 9.378222 26.16338       32.11562 0.000000       0.000000 26.16338       32.11562 ?        ?        23.81152 9.378222 ?              ?        
1 1 1 5   33 32 o 19.05281 8.412612 0.2847012      30.74567 0.000000       0.000000 0.2847012      30.74567 ?        ?        19.05281 8.412612 ?              ?        
1 1 1 5   33 33 o 29.02186 9.636083 50.64216       31.95463 0.000000       0.000000 50.64216       31.95463 ?        ?        29.02186 9.636083 ?              ?        
1 1 1 5   33 34 o 46.07297 7.693578 119.9493       33.47349 0.000000       0.000000 119.9493       33.47349 ?        ?        46.07297 7.693578 ?              ?        
1 1 1 5   33 35 o 34.03933 9.413892 71.26910       32.41982 0.000000       0.000000 71.26910       32.41982 ?        ?        34.03933 9.413892 ?              ?        
1 1 1 5   33 36 o 17.49162 8.244245 -25.17000      36.60127 0.000000       0.000000 -25.17000      36.60127 ?        ?        17.49162 8.244245 ?              ?        
1 1 1 5   33 37 o 72.28049 7.819807 295.9000       54.44529 0.000000       0.000000 295.9000       54.44529 ?        ?        72.28049 7.819807 ?              ?        
1 1 1 5   33 38 o 40.60054 10.80399 107.7000       43.68676 0.000000       0.000000 107.7000       43.68676 ?        ?        40.60054 10.80399 ?              ?        
1 1 1 5   33 39 o 33.60841 9.520319 70.35815       32.73694 0.000000       0.000000 70.35815       32.73694 ?        ?        33.60841 9.520319 ?              ?        
1 1 1 5   33 40 o 26.34772 11.20044 32.47000       50.45259 0.000000       0.000000 32.47000       50.45259 ?        ?        26.34772 11.20044 ?              ?        
1 1 1 5   33 41 o 31.71790 9.436666 63.03467       31.45865 0.000000       0.000000 63.03467       31.45865 ?        ?        31.71790 9.436666 ?              ?        
1 1 1 5   33 42 o 19.33928 8.326327 7.907635       28.53402 0.000000       0.000000 7.907635       28.53402 ?        ?        19.33928 8.326327 ?              ?        
1 1 1 5   33 43 o 29.99080 9.229569 56.44802       29.73871 0.000000       0.000000 56.44802       29.73871 ?        ?        29.99080 9.229569 ?              ?        
1 1 1 5   33 44 o 19.78420 8.345640 12.80137       27.65309 0.000000       0.000000 12.80137       27.65309 ?        ?        19.78420 8.345640 ?              ?        
1 1 1 5   33 45 o 32.07359 8.947639 65.22714       29.14907 0.000000       0.000000 65.22714       29.14907 ?        ?        32.07359 8.947639 ?              ?        
1 1 1 5   34 0  f 134.0739 4.045227 893.9821       53.02692 0.000000       0.000000 893.9821       53.02692 ?        ?        134.0739 4.045227 ?              ?        
1 1 1 5   34 1  o 91.82905 4.821978 422.7607       43.19037 0.000000       0.000000 422.7607       43.19037 ?        ?        91.82905 4.821978 ?              ?        
1 1 1 5   34 2  o 71.71638 4.324283 257.0185       30.21457 198.3000       54.39225 283.2237       36.33653 60.60484 9.479422 75.05093 4.974379 -14.44608      10.70532 
1 1 1 5   34 3  o 63.25902 4.510898 200.5721       27.74805 215.1000       51.11841 194.5032       33.03930 63.76753 8.393359 61.93467 5.507300 1.832863       10.03887 
1 1 1 5   34 4  o 53.84895 5.014216 146.4821       26.12562 181.8000       48.82059 132.3096       30.92644 58.30587 8.830424 50.66861 6.376592 7.637268       10.89208 
1 1 1 5   34 5  o 57.02285 4.186116 162.6599       23.20220 69.54000       48.55104 190.2213       26.41362 35.51830 11.87979 61.61763 4.408551 -26.09933      12.67141 
1 1 1 5   34 6  o 63.57663 3.955389 201.5992       24.49269 159.4000       51.92091 213.6776       27.77759 53.69727 10.25216 65.32775 4.369125 -11.63048      11.14433 
1 1 1 5   34 7  o 46.64604 4.978106 110.2599       22.37838 3.302000       46.17673 143.0909       25.58341 24.25948 10.51857 53.20443 4.970029 -28.94494      11.63364 
1 1 1 5   34 8  o 41.51484 5.520871 88.30949       21.87892 90.13000       47.39822 87.81657       24.66371 39.68226 11.52406 41.11696 6.331024 -1.434700      13.14861 
1 1 1 5   34 9  o 57.10875 4.261572 163.4438       23.65028 171.8000       49.75468 161.0047       26.88132 56.20807 9.373239 56.46309 4.912704 -0.2550163     10.58264 
1 1 1 5   34 10 o 71.31823 3.735381 253.2149       25.98514 216.0000       52.03848 265.5765       29.99197 63.59985 8.577624 72.87350 4.222730 -9.273643      9.560705 
1 1 1 5   34 11 o 33.59002 6.273783 59.17039       19.86911 30.25000       35.34691 72.52978       24.02385 26.25418 9.972022 37.05944 6.875836 -10.80527      12.11273 
1 1 1 5   34 12 o 97.14774 3.750789 469.7623       35.59958 485.5000       61.45232 461.8131       43.67449 97.16283 6.498847 95.88242 4.667555 1.280403       8.001317 
1 1 1 5   34 13 o 26.37611 7.016103 37.25638       18.42800 68.67000       32.84113 22.81992       22.26329 35.07243 9.382984 22.17561 8.005585 12.89682       12.33409 
1 1 1 5   34 14 o 43.79921 5.675586 98.94578       23.76072 0.000000       0.000000 98.94578       23.76072 ?        ?        43.79921 5.675586 ?              ?        
1 1 1 5   34 15 o 25.54265 8.529058 34.01524       25.02707 0.000000       0.000000 34.01524       25.02707 ?        ?        25.54265 8.529058 ?              ?        
1 1 1 5   34 16 o 13.85293 6.493948 -19.82103      22.17701 0.000000       0.000000 -19.82103      22.17701 ?        ?        13.85293 6.493948 ?              ?        
1 1 1 5   34 17 o 88.76186 3.220487 391.6153       27.93403 0.000000       0.000000 391.6153       27.93403 ?        ?        88.76186 3.220487 ?              ?        
1 1 1 5   34 18 o 31.34434 4.628026 50.53527       13.77258 0.000000       0.000000 50.53527       13.77258 ?        ?        31.34434 4.628026 ?              ?        
1 1 1 5   34 19 o 76.72626 3.025822 292.6258       22.67990 0.000000       0.000000 292.6258       22.67990 ?        ?        76.72626 3.025822 ?              ?        
1 1 1 5   34 20 o 32.89656 10.35137 63.42913       37.18074 0.000000       0.000000 63.42913       37.18074 ?        ?        32.89656 10.35137 ?              ?        
1 1 1 5   34 21 o 58.06006 7.269067 181.1983       40.40784 0.000000       0.000000 181.1983       40.40784 ?        ?        58.06006 7.269067 ?              ?        
1 1 1 5   34 22 o 29.00834 10.32843 46.86171       36.91823 0.000000       0.000000 46.86171       36.91823 ?        ?        29.00834 10.32843 ?              ?        
1 1 1 5   34 23 f 34.78477 10.59157 73.11155       39.29685 0.000000       0.000000 73.11155       39.29685 ?        ?        34.78477 10.59157 ?              ?        
1 1 1 5   34 24 o 19.91029 8.949753 -6.264937      36.44154 0.000000       0.000000 -6.264937      36.44154 ?        ?        19.91029 8.949753 ?              ?        
1 1 1 5   34 25 o 37.94613 9.995255 86.21794       37.63424 0.000000       0.000000 86.21794       37.63424 ?        ?        37.94613 9.995255 ?              ?        
1 1 1 5   34 26 o 23.69536 10.19821 13.11000       42.77710 0.000000       0.000000 13.11000       42.77710 ?        ?        23.69536 10.19821 ?              ?        
1 1 1 5   34 27 o 58.30148 7.344563 185.7865       40.98519 0.000000       0.000000 185.7865       40.98519 ?        ?        58.30148 7.344563 ?              ?        
1 1 1 5   34 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   34 30 o 35.40552 9.625001 76.10992       34.22491 0.000000       0.000000 76.10992       34.22491 ?        ?        35.40552 9.625001 ?              ?        
1 1 1 5   34 31 o 28.15897 9.797306 47.08393       33.08007 0.000000       0.000000 47.08393       33.08007 ?        ?        28.15897 9.797306 ?              ?        
1 1 1 5   34 32 o 40.84550 8.810455 98.81903       34.18851 0.000000       0.000000 98.81903       34.18851 ?        ?        40.84550 8.810455 ?              ?        
1 1 1 5   34 33 o 62.90195 6.164714 212.7787       37.46936 0.000000       0.000000 212.7787       37.46936 ?        ?        62.90195 6.164714 ?              ?        
1 1 1 5   34 34 o 37.13966 9.035230 83.29977       32.52782 0.000000       0.000000 83.29977       32.52782 ?        ?        37.13966 9.035230 ?              ?        
1 1 1 5   34 35 o 23.31004 9.872118 19.78000       38.94743 0.000000       0.000000 19.78000       38.94743 ?        ?        23.31004 9.872118 ?              ?        
1 1 1 5   34 36 o 35.10178 9.482830 76.47259       33.34525 0.000000       0.000000 76.47259       33.34525 ?        ?        35.10178 9.482830 ?              ?        
1 1 1 5   34 37 o 31.99479 10.98204 67.82000       41.50857 0.000000       0.000000 67.82000       41.50857 ?        ?        31.99479 10.98204 ?              ?        
1 1 1 5   34 38 o 24.43598 9.376835 32.20036       31.46055 0.000000       0.000000 32.20036       31.46055 ?        ?        24.43598 9.376835 ?              ?        
1 1 1 5   34 39 o 26.38653 11.19457 33.96000       50.22817 0.000000       0.000000 33.96000       50.22817 ?        ?        26.38653 11.19457 ?              ?        
1 1 1 5   34 40 o 32.06723 9.281172 64.26353       30.79113 0.000000       0.000000 64.26353       30.79113 ?        ?        32.06723 9.281172 ?              ?        
1 1 1 5   34 41 o 26.69954 9.137504 43.29100       28.73068 0.000000       0.000000 43.29100       28.73068 ?        ?        26.69954 9.137504 ?              ?        
1 1 1 5   34 42 o 20.23267 8.460155 14.58941       28.03127 0.000000       0.000000 14.58941       28.03127 ?        ?        20.23267 8.460155 ?              ?        
1 1 1 5   34 43 o 44.46991 7.430485 114.4393       31.20333 0.000000       0.000000 114.4393       31.20333 ?        ?        44.46991 7.430485 ?              ?        
1 1 1 5   34 44 o 27.45673 8.966924 47.68267       27.71239 0.000000       0.000000 47.68267       27.71239 ?        ?        27.45673 8.966924 ?              ?        
1 1 1 5   35 0  o 17.61247 7.068723 8.786178       18.58076 9.554000       43.29559 8.612836       20.57150 24.35325 10.36494 18.21975 7.392949 6.133501       12.73136 
1 1 1 5   35 1  o 33.55870 6.930317 59.82541       22.01064 0.000000       0.000000 59.82541       22.01064 ?        ?        33.55870 6.930317 ?              ?        
1 1 1 5   35 2  o 64.65226 5.541008 212.7242       34.72759 0.000000       0.000000 212.7242       34.72759 ?        ?        64.65226 5.541008 ?              ?        
1 1 1 5   35 3  o 69.04753 3.786027 237.6394       25.49018 273.7000       55.73625 228.1024       28.66338 71.93891 8.053355 67.44244 4.365434 4.496475       9.160434 
1 1 1 5   35 4  o 60.00664 4.802461 181.7445       27.97253 230.7000       51.27145 160.9971       33.37770 65.93020 8.115916 55.88769 6.205973 10.04251       10.21676 
1 1 1 5   35 5  o 37.43636 7.119706 74.48515       25.13612 40.84000       44.00018 90.78478       30.62542 29.40518 11.13580 41.08992 7.901395 -11.68474      13.65423 
1 1 1 5   35 6  o 45.20833 5.002033 104.0081       21.76476 113.9000       46.51402 101.2351       24.62713 44.60639 10.77516 44.30080 5.819939 0.3055840      12.24645 
1 1 1 5   35 7  o 27.57511 7.480264 40.98582       20.69778 61.54000       46.47441 35.90034       23.11692 33.41107 11.61334 26.01929 8.158613 7.391785       14.19270 
1 1 1 5   35 8  o 38.98604 5.838171 78.89170       21.59421 85.02000       45.35912 77.09570       24.55544 38.22365 11.32113 38.15168 6.826115 0.7197189E-01  13.21983 
1 1 1 5   35 9  o 50.45321 4.720471 128.9999       23.04139 88.88000       46.81129 141.8281       26.47001 38.91679 11.49439 52.73701 5.195201 -13.82023      12.61392 
1 1 1 5   35 10 o 68.37118 4.262491 234.8554       28.38423 242.6000       52.36298 231.6328       33.77726 67.31072 8.110842 67.50063 5.151138 -0.1899033     9.608329 
1 1 1 5   35 11 o 100.4287 3.824938 503.6998       37.53131 525.5000       65.82561 493.1993       45.68456 100.5158 6.729198 98.85040 4.735324 1.665405       8.228329 
1 1 1 5   35 12 o 69.22768 3.701435 239.5302       24.99047 254.4000       46.26077 233.4026       29.69643 69.63499 6.876692 68.00410 4.486378 1.630898       8.210754 
1 1 1 5   35 13 o 65.18492 4.183964 213.8462       26.55474 209.4000       42.68980 216.6524       33.91471 62.95306 7.048771 65.03928 5.375241 -2.086216      8.864446 
1 1 1 5   35 14 o 58.79609 5.597771 178.2359       31.82760 0.000000       0.000000 178.2359       31.82760 ?        ?        58.79609 5.597771 ?              ?        
1 1 1 5   35 15 o 18.10335 7.400959 8.760383       20.80179 0.000000       0.000000 8.760383       20.80179 ?        ?        18.10335 7.400959 ?              ?        
1 1 1 5   35 16 o 18.30329 7.545460 8.374628       21.85477 0.000000       0.000000 8.374628       21.85477 ?        ?        18.30329 7.545460 ?              ?        
1 1 1 5   35 17 o 56.59981 3.530922 160.5315       19.46439 0.000000       0.000000 160.5315       19.46439 ?        ?        56.59981 3.530922 ?              ?        
1 1 1 5   35 18 o 54.30697 3.335678 147.5226       17.64597 0.000000       0.000000 147.5226       17.64597 ?        ?        54.30697 3.335678 ?              ?        
1 1 1 5   35 19 o 14.70930 4.958021 10.46242       8.455393 0.000000       0.000000 10.46242       8.455393 ?        ?        14.70930 4.958021 ?              ?        
1 1 1 5   35 20 o 26.09370 10.09101 33.11328       36.63680 0.000000       0.000000 33.11328       36.63680 ?        ?        26.09370 10.09101 ?              ?        
1 1 1 5   35 21 o 36.09535 10.55524 79.23740       39.64170 0.000000       0.000000 79.23740       39.64170 ?        ?        36.09535 10.55524 ?              ?        
1 1 1 5   35 22 o 19.82998 8.910664 -5.755205      36.09005 0.000000       0.000000 -5.755205      36.09005 ?        ?        19.82998 8.910664 ?              ?        
1 1 1 5   35 23 o 49.51349 8.469750 138.3435       39.57439 0.000000       0.000000 138.3435       39.57439 ?        ?        49.51349 8.469750 ?              ?        
1 1 1 5   35 24 o 43.35852 11.12049 117.6000       47.41950 0.000000       0.000000 117.6000       47.41950 ?        ?        43.35852 11.12049 ?              ?        
1 1 1 5   35 25 o 37.63474 11.35066 90.78000       45.28088 0.000000       0.000000 90.78000       45.28088 ?        ?        37.63474 11.35066 ?              ?        
1 1 1 5   35 26 f 53.24177 7.774343 157.8389       39.32089 0.000000       0.000000 157.8389       39.32089 ?        ?        53.24177 7.774343 ?              ?        
1 1 1 5   35 27 o 38.64358 13.35800 106.6000       61.44889 0.000000       0.000000 106.6000       61.44889 ?        ?        38.64358 13.35800 ?              ?        
1 1 1 5   35 28 o 19.21295 8.562981 -1.792973      32.60306 0.000000       0.000000 -1.792973      32.60306 ?        ?        19.21295 8.562981 ?              ?        
1 1 1 5   35 29 o 25.38840 9.694362 34.42202       33.51728 0.000000       0.000000 34.42202       33.51728 ?        ?        25.38840 9.694362 ?              ?        
1 1 1 5   35 30 o 77.71010 7.726503 339.4000       57.99374 0.000000       0.000000 339.4000       57.99374 ?        ?        77.71010 7.726503 ?              ?        
1 1 1 5   35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   35 32 o 30.31276 10.86703 58.85000       40.94014 0.000000       0.000000 58.85000       40.94014 ?        ?        30.31276 10.86703 ?              ?        
1 1 1 5   35 33 o 22.44308 9.631741 14.98000       37.95190 0.000000       0.000000 14.98000       37.95190 ?        ?        22.44308 9.631741 ?              ?        
1 1 1 5   35 34 o 38.56363 9.252397 91.16013       34.47753 0.000000       0.000000 91.16013       34.47753 ?        ?        38.56363 9.252397 ?              ?        
1 1 1 5   35 35 o 24.88606 10.17662 30.46000       39.34394 0.000000       0.000000 30.46000       39.34394 ?        ?        24.88606 10.17662 ?              ?        
1 1 1 5   35 36 o 52.79472 7.286913 156.7106       36.65340 0.000000       0.000000 156.7106       36.65340 ?        ?        52.79472 7.286913 ?              ?        
1 1 1 5   35 37 o 45.28270 12.15141 144.0000       54.97660 0.000000       0.000000 144.0000       54.97660 ?        ?        45.28270 12.15141 ?              ?        
1 1 1 5   35 38 o 29.49849 9.615000 54.91096       31.87059 0.000000       0.000000 54.91096       31.87059 ?        ?        29.49849 9.615000 ?              ?        
1 1 1 5   35 39 o 18.01270 8.019424 -0.3080922     28.51624 0.000000       0.000000 -0.3080922     28.51624 ?        ?        18.01270 8.019424 ?              ?        
1 1 1 5   35 40 o 20.00612 8.450235 12.83907       28.41048 0.000000       0.000000 12.83907       28.41048 ?        ?        20.00612 8.450235 ?              ?        
1 1 1 5   35 41 f 17.65103 7.884649 -0.4879717     27.80612 0.000000       0.000000 -0.4879717     27.80612 ?        ?        17.65103 7.884649 ?              ?        
1 1 1 5   35 42 o 31.98621 8.805784 64.57435       28.43931 0.000000       0.000000 64.57435       28.43931 ?        ?        31.98621 8.805784 ?              ?        
1 1 1 5   35 43 o 15.75363 7.281701 -10.47715      26.37777 0.000000       0.000000 -10.47715      26.37777 ?        ?        15.75363 7.281701 ?              ?        
1 1 1 5   36 0  o 90.20952 3.463943 405.1057       30.52964 401.7000       64.78983 406.0777       34.61328 87.02878 7.684544 90.09837 3.934303 -3.069595      8.633131 
1 1 1 5   36 1  o 57.14730 4.145262 164.2360       23.02987 156.2000       50.88778 166.3058       25.82597 52.34769 10.29840 57.31479 4.643178 -4.967098      11.29673 
1 1 1 5   36 2  o 62.58416 4.503894 197.7553       27.40593 0.000000       0.000000 197.7553       27.40593 ?        ?        62.58416 4.503894 ?              ?        
1 1 1 5   36 3  o 48.42672 5.338799 120.3837       24.88719 0.000000       0.000000 120.3837       24.88719 ?        ?        48.42672 5.338799 ?              ?        
1 1 1 5   36 4  o 76.23158 3.670059 290.1977       27.30464 306.7000       56.91484 285.2640       31.11968 75.83518 7.777488 75.33018 4.237545 0.5049973      8.856980 
1 1 1 5   36 5  o 75.67809 4.431287 288.7229       32.68149 303.8000       58.61519 281.9215       39.36881 75.17449 8.093226 74.22425 5.456909 0.9502411      9.761054 
1 1 1 5   36 6  o 27.41943 8.576544 41.02699       25.56193 107.6000       46.97846 13.02709       30.46687 42.56342 11.14626 21.63580 8.913060 20.92762       14.27171 
1 1 1 5   36 7  o 49.67509 4.894510 125.9332       23.48993 158.7000       50.35931 116.8216       26.55581 52.66349 10.13717 47.41923 5.844910 5.244259       11.70150 
1 1 1 5   36 8  o 16.64240 7.134739 1.675964       20.78380 -59.58000      44.13305 19.13289       23.55991 17.38297 8.418325 21.29286 8.128444 -3.909897      11.70213 
1 1 1 5   36 9  o 88.90004 3.979165 396.6035       34.53807 431.4000       62.86154 381.5573       41.33626 90.28677 7.171923 86.64783 4.893685 3.638931       8.682432 
1 1 1 5   36 10 o 23.00334 8.106362 26.54725       22.69226 64.52000       44.55653 13.24859       26.36813 33.18827 11.37854 20.57722 8.362443 12.61105       14.12097 
1 1 1 5   36 11 o 53.28088 4.374071 144.0028       22.61133 194.9000       41.78755 122.9308       26.88762 60.34990 7.216890 48.57210 5.767829 11.77779       9.238580 
1 1 1 5   36 12 o 23.63699 8.087592 29.11361       22.50732 7.434000       33.18697 47.57785       30.62722 21.14684 9.039605 29.04721 9.422517 -7.900368      13.05750 
1 1 1 5   36 13 o 37.66015 6.841959 76.54049       24.29267 0.000000       0.000000 76.54049       24.29267 ?        ?        37.66015 6.841959 ?              ?        
1 1 1 5   36 14 o 21.22791 7.206234 23.03465       17.86341 0.000000       0.000000 23.03465       17.86341 ?        ?        21.22791 7.206234 ?              ?        
1 1 1 5   36 15 o 60.29154 4.676085 185.5020       27.38035 0.000000       0.000000 185.5020       27.38035 ?        ?        60.29154 4.676085 ?              ?        
1 1 1 5   36 16 o 27.74818 7.619679 42.91801       21.32466 0.000000       0.000000 42.91801       21.32466 ?        ?        27.74818 7.619679 ?              ?        
1 1 1 5   36 17 o 40.41339 4.192523 83.25163       16.34400 0.000000       0.000000 83.25163       16.34400 ?        ?        40.41339 4.192523 ?              ?        
1 1 1 5   36 18 o 15.31249 5.766284 9.569672       11.75992 0.000000       0.000000 9.569672       11.75992 ?        ?        15.31249 5.766284 ?              ?        
1 1 1 5   36 19 o 55.86132 2.990968 155.7024       16.29457 0.000000       0.000000 155.7024       16.29457 ?        ?        55.86132 2.990968 ?              ?        
1 1 1 5   36 20 o 30.67647 10.10141 55.80497       35.13757 0.000000       0.000000 55.80497       35.13757 ?        ?        30.67647 10.10141 ?              ?        
1 1 1 5   36 21 o 28.78598 10.14240 47.77362       35.52168 0.000000       0.000000 47.77362       35.52168 ?        ?        28.78598 10.14240 ?              ?        
1 1 1 5   36 22 o 42.41225 8.981309 104.7063       36.12286 0.000000       0.000000 104.7063       36.12286 ?        ?        42.41225 8.981309 ?              ?        
1 1 1 5   36 23 o 41.46526 10.85977 108.1000       44.59161 0.000000       0.000000 108.1000       44.59161 ?        ?        41.46526 10.85977 ?              ?        
1 1 1 5   36 24 o 17.29364 8.000889 -16.16415      31.95355 0.000000       0.000000 -16.16415      31.95355 ?        ?        17.29364 8.000889 ?              ?        
1 1 1 5   36 25 o 43.60337 13.37094 136.0000       62.48333 0.000000       0.000000 136.0000       62.48333 ?        ?        43.60337 13.37094 ?              ?        
1 1 1 5   36 26 o 48.87145 13.08284 167.4000       63.82231 0.000000       0.000000 167.4000       63.82231 ?        ?        48.87145 13.08284 ?              ?        
1 1 1 5   36 27 o 30.37827 10.05314 57.19415       34.78830 0.000000       0.000000 57.19415       34.78830 ?        ?        30.37827 10.05314 ?              ?        
1 1 1 5   36 28 o 39.76812 9.487287 96.92799       36.41235 0.000000       0.000000 96.92799       36.41235 ?        ?        39.76812 9.487287 ?              ?        
1 1 1 5   36 29 o 21.45912 9.059464 14.86209       32.62836 0.000000       0.000000 14.86209       32.62836 ?        ?        21.45912 9.059464 ?              ?        
1 1 1 5   36 30 o 22.02121 9.141827 18.60889       32.38889 0.000000       0.000000 18.60889       32.38889 ?        ?        22.02121 9.141827 ?              ?        
1 1 1 5   36 31 o 27.04113 10.54811 41.95000       40.29893 0.000000       0.000000 41.95000       40.29893 ?        ?        27.04113 10.54811 ?              ?        
1 1 1 5   36 32 o 26.40233 10.40523 39.34000       39.55698 0.000000       0.000000 39.34000       39.55698 ?        ?        26.40233 10.40523 ?              ?        
1 1 1 5   36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   36 34 o 41.18968 10.85849 112.4000       44.39212 0.000000       0.000000 112.4000       44.39212 ?        ?        41.18968 10.85849 ?              ?        
1 1 1 5   36 35 o 23.17957 9.139451 26.95184       30.53115 0.000000       0.000000 26.95184       30.53115 ?        ?        23.17957 9.139451 ?              ?        
1 1 1 5   36 36 o 45.17375 12.32303 146.5000       55.98824 0.000000       0.000000 146.5000       55.98824 ?        ?        45.17375 12.32303 ?              ?        
1 1 1 5   36 37 o 16.44821 7.572296 -10.93390      28.11747 0.000000       0.000000 -10.93390      28.11747 ?        ?        16.44821 7.572296 ?              ?        
1 1 1 5   36 38 o 33.77372 9.141091 71.41856       30.95061 0.000000       0.000000 71.41856       30.95061 ?        ?        33.77372 9.141091 ?              ?        
1 1 1 5   36 39 o 28.53870 9.196233 51.45168       29.20382 0.000000       0.000000 51.45168       29.20382 ?        ?        28.53870 9.196233 ?              ?        
1 1 1 5   36 40 o 26.47178 9.022821 43.83128       28.00846 0.000000       0.000000 43.83128       28.00846 ?        ?        26.47178 9.022821 ?              ?        
1 1 1 5   36 41 o 28.41306 9.068742 51.99392       28.44884 0.000000       0.000000 51.99392       28.44884 ?        ?        28.41306 9.068742 ?              ?        
1 1 1 5   37 0  o 63.82215 3.860916 204.7959       24.00667 223.7000       52.16389 199.7161       27.04042 63.57790 8.602716 62.76039 4.430180 0.8175163      9.676426 
1 1 1 5   37 1  f 55.23892 4.329655 154.6774       23.22323 82.78000       48.42268 176.1545       26.46551 36.63970 11.84477 58.82559 4.633681 -22.18589      12.71887 
1 1 1 5   37 2  o 38.49872 5.785541 77.83949       21.12835 43.28000       45.30409 87.44540       23.88487 29.08174 11.22809 40.65337 6.198091 -11.57163      12.82522 
1 1 1 5   37 3  o 49.18433 5.373687 125.1914       25.45010 0.000000       0.000000 125.1914       25.45010 ?        ?        49.18433 5.373687 ?              ?        
1 1 1 5   37 4  o 40.71392 6.308502 87.98887       24.32790 0.000000       0.000000 87.98887       24.32790 ?        ?        40.71392 6.308502 ?              ?        
1 1 1 5   37 5  o 40.45117 5.686868 85.68705       21.89611 94.81000       47.24908 83.19201       24.70956 39.14048 11.54477 39.39800 6.643500 -0.2575226     13.31983 
1 1 1 5   37 6  f 25.07074 8.511556 33.59946       24.92107 54.59000       44.81929 24.20529       29.98350 30.99806 11.33409 23.47826 9.115343 7.519793       14.54479 
1 1 1 5   37 7  o 45.59798 5.234228 107.5996       22.93860 173.4000       46.97602 86.99770       26.28544 55.48711 8.953977 40.13047 6.942877 15.35664       11.33037 
1 1 1 5   37 8  o 53.91438 5.012107 149.3466       26.14742 155.0000       46.00999 146.6497       31.77772 52.08920 9.368388 52.72832 6.280335 -0.6391220     11.27871 
1 1 1 5   37 9  o 20.84286 7.705595 20.19919       20.80938 16.60000       39.89216 21.54469       24.39079 23.87536 10.04491 21.85313 8.287517 2.022234       13.02241 
1 1 1 5   37 10 o 31.78137 6.760171 54.99760       20.38263 17.56000       36.93650 71.38950       24.44086 23.44872 9.750862 36.11964 7.166052 -12.67092      12.10089 
1 1 1 5   37 11 o 44.23582 7.953428 108.6172       33.17181 0.000000       0.000000 108.6172       33.17181 ?        ?        44.23582 7.953428 ?              ?        
1 1 1 5   37 12 o 40.06262 5.129364 83.37422       19.65365 75.19000       32.31107 88.18051       24.76097 35.93440 9.160114 40.57358 6.450417 -4.639179      11.20337 
1 1 1 5   37 13 o 31.45133 6.482192 53.69009       19.29189 0.000000       0.000000 53.69009       19.29189 ?        ?        31.45133 6.482192 ?              ?        
1 1 1 5   37 14 o 42.45885 4.904009 93.18441       20.00689 0.000000       0.000000 93.18441       20.00689 ?        ?        42.45885 4.904009 ?              ?        
1 1 1 5   37 15 o 36.26541 6.920623 71.91605       23.67054 0.000000       0.000000 71.91605       23.67054 ?        ?        36.26541 6.920623 ?              ?        
1 1 1 5   37 16 o 55.60847 3.791600 156.1502       20.51464 0.000000       0.000000 156.1502       20.51464 ?        ?        55.60847 3.791600 ?              ?        
1 1 1 5   37 17 o 34.20237 4.889261 60.91377       15.90318 0.000000       0.000000 60.91377       15.90318 ?        ?        34.20237 4.889261 ?              ?        
1 1 1 5   37 18 o 39.10238 3.883961 77.74120       14.66937 0.000000       0.000000 77.74120       14.66937 ?        ?        39.10238 3.883961 ?              ?        
1 1 1 5   37 19 o 23.05168 9.258340 22.25015       31.89881 0.000000       0.000000 22.25015       31.89881 ?        ?        23.05168 9.258340 ?              ?        
1 1 1 5   37 20 o 32.54919 9.711546 64.19745       33.28111 0.000000       0.000000 64.19745       33.28111 ?        ?        32.54919 9.711546 ?              ?        
1 1 1 5   37 21 o 28.47219 9.679129 47.77272       32.22826 0.000000       0.000000 47.77272       32.22826 ?        ?        28.47219 9.679129 ?              ?        
1 1 1 5   37 22 o 38.02038 10.41975 90.81000       39.92227 0.000000       0.000000 90.81000       39.92227 ?        ?        38.02038 10.41975 ?              ?        
1 1 1 5   37 23 o 26.59341 9.615531 40.16268       32.13378 0.000000       0.000000 40.16268       32.13378 ?        ?        26.59341 9.615531 ?              ?        
1 1 1 5   37 24 o 17.90466 8.829744 -85.73000      55.49368 0.000000       0.000000 -85.73000      55.49368 ?        ?        17.90466 8.829744 ?              ?        
1 1 1 5   37 25 o 31.02798 9.916179 60.18703       34.00557 0.000000       0.000000 60.18703       34.00557 ?        ?        31.02798 9.916179 ?              ?        
1 1 1 5   37 26 o 47.00668 8.195819 127.9051       36.33981 0.000000       0.000000 127.9051       36.33981 ?        ?        47.00668 8.195819 ?              ?        
1 1 1 5   37 27 o 65.98455 6.263814 235.6251       39.97187 0.000000       0.000000 235.6251       39.97187 ?        ?        65.98455 6.263814 ?              ?        
1 1 1 5   37 28 o 24.88424 9.555733 33.79831       32.68858 0.000000       0.000000 33.79831       32.68858 ?        ?        24.88424 9.555733 ?              ?        
1 1 1 5   37 29 o 19.86996 8.635595 6.893289       31.27474 0.000000       0.000000 6.893289       31.27474 ?        ?        19.86996 8.635595 ?              ?        
1 1 1 5   37 30 o 19.06121 8.398573 3.118785       30.49076 0.000000       0.000000 3.118785       30.49076 ?        ?        19.06121 8.398573 ?              ?        
1 1 1 5   37 31 o 29.48757 9.580994 54.46102       31.65885 0.000000       0.000000 54.46102       31.65885 ?        ?        29.48757 9.580994 ?              ?        
1 1 1 5   37 32 o 25.34227 9.418291 37.06641       31.16217 0.000000       0.000000 37.06641       31.16217 ?        ?        25.34227 9.418291 ?              ?        
1 1 1 5   37 33 o 43.52722 10.22343 121.6000       42.81115 0.000000       0.000000 121.6000       42.81115 ?        ?        43.52722 10.22343 ?              ?        
1 1 1 5   37 34 o 25.03474 9.401999 35.93184       31.21861 0.000000       0.000000 35.93184       31.21861 ?        ?        25.03474 9.401999 ?              ?        
1 1 1 5   37 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   37 36 o 38.14823 8.815875 89.02471       32.25844 0.000000       0.000000 89.02471       32.25844 ?        ?        38.14823 8.815875 ?              ?        
1 1 1 5   37 37 o 21.07219 8.623032 19.21071       28.27274 0.000000       0.000000 19.21071       28.27274 ?        ?        21.07219 8.623032 ?              ?        
1 1 1 5   37 38 o 19.40520 8.254680 11.46749       27.43566 0.000000       0.000000 11.46749       27.43566 ?        ?        19.40520 8.254680 ?              ?        
1 1 1 5   37 39 o 18.48906 8.000285 7.804440       26.60324 0.000000       0.000000 7.804440       26.60324 ?        ?        18.48906 8.000285 ?              ?        
1 1 1 5   37 40 o 25.72416 9.040345 41.94560       28.20855 0.000000       0.000000 41.94560       28.20855 ?        ?        25.72416 9.040345 ?              ?        
1 1 1 5   38 0  o 44.43402 4.827253 101.6851       20.65830 80.58000       46.74231 106.8082       23.02956 35.83116 11.64172 45.33181 5.289387 -9.500645      12.78699 
1 1 1 5   38 1  o 59.28903 3.989896 177.6865       23.02004 216.2000       50.99975 167.8320       25.79755 62.09007 8.623993 57.29548 4.639596 4.794586       9.792809 
1 1 1 5   38 2  o 42.48668 5.112020 93.62154       20.83282 65.20000       44.36047 101.6635       23.59682 32.76678 11.34851 44.05843 5.597855 -11.29165      12.65404 
1 1 1 5   38 3  o 67.22699 3.838852 227.7624       25.15604 165.7000       50.84644 247.8771       28.94699 52.93380 10.18310 69.91699 4.249819 -16.98319      11.03434 
1 1 1 5   38 4  o 21.88369 7.998563 23.36771       22.31801 0.000000       0.000000 23.36771       22.31801 ?        ?        21.88369 7.998563 ?              ?        
1 1 1 5   38 5  o 34.99466 7.320759 67.71049       24.26924 0.000000       0.000000 67.71049       24.26924 ?        ?        34.99466 7.320759 ?              ?        
1 1 1 5   38 6  o 46.10842 5.476178 111.0888       24.23303 124.7000       44.46059 105.3363       28.90367 45.62627 10.21067 44.08083 6.927017 1.545441       12.33861 
1 1 1 5   38 7  o 28.56665 8.802333 46.76609       27.03893 33.06000       40.51841 57.77000       36.30523 26.41546 10.49272 31.16043 10.26821 -4.744972      14.68106 
1 1 1 5   38 8  f 39.65804 5.851175 83.27414       22.03187 75.84000       40.88356 86.31661       26.15449 35.05360 10.82770 39.79355 6.968494 -4.739944      12.87629 
1 1 1 5   38 9  o 75.19813 5.622803 294.6062       41.08756 0.000000       0.000000 294.6062       41.08756 ?        ?        75.19813 5.622803 ?              ?        
1 1 1 5   38 10 o 51.24796 5.272686 136.5466       26.07237 128.7000       39.52884 142.5889       34.68750 47.37463 8.849709 51.21191 7.111470 -3.837284      11.35299 
1 1 1 5   38 11 o 18.77583 7.131857 15.23059       18.08013 18.53000       30.53043 13.44849       22.43775 22.18306 9.004462 19.38211 7.771642 2.800949       11.89448 
1 1 1 5   38 12 o 29.08686 6.713561 46.57069       18.72666 0.000000       0.000000 46.57069       18.72666 ?        ?        29.08686 6.713561 ?              ?        
1 1 1 5   38 13 o 21.82330 7.184799 25.38104       17.77643 0.000000       0.000000 25.38104       17.77643 ?        ?        21.82330 7.184799 ?              ?        
1 1 1 5   38 14 o 22.88197 7.082436 28.61427       17.48169 0.000000       0.000000 28.61427       17.48169 ?        ?        22.88197 7.082436 ?              ?        
1 1 1 5   38 15 o 24.35289 7.970820 32.79351       21.89180 0.000000       0.000000 32.79351       21.89180 ?        ?        24.35289 7.970820 ?              ?        
1 1 1 5   38 16 o 18.01957 6.654642 14.90967       15.51285 0.000000       0.000000 14.90967       15.51285 ?        ?        18.01957 6.654642 ?              ?        
1 1 1 5   38 17 o 48.64289 4.789807 122.4295       22.51018 0.000000       0.000000 122.4295       22.51018 ?        ?        48.64289 4.789807 ?              ?        
1 1 1 5   38 18 o 47.44439 3.515293 113.6967       16.20901 0.000000       0.000000 113.6967       16.20901 ?        ?        47.44439 3.515293 ?              ?        
1 1 1 5   38 19 o 31.04866 9.564048 58.64069       31.92416 0.000000       0.000000 58.64069       31.92416 ?        ?        31.04866 9.564048 ?              ?        
1 1 1 5   38 20 f 40.00069 9.977285 98.81000       38.93229 0.000000       0.000000 98.81000       38.93229 ?        ?        40.00069 9.977285 ?              ?        
1 1 1 5   38 21 o 35.41553 9.309799 76.36829       32.69223 0.000000       0.000000 76.36829       32.69223 ?        ?        35.41553 9.309799 ?              ?        
1 1 1 5   38 22 o 21.15582 8.814316 15.41651       30.26571 0.000000       0.000000 15.41651       30.26571 ?        ?        21.15582 8.814316 ?              ?        
1 1 1 5   38 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   38 24 o 42.82269 8.437982 107.9102       34.11024 0.000000       0.000000 107.9102       34.11024 ?        ?        42.82269 8.437982 ?              ?        
1 1 1 5   38 25 o 24.03517 9.394233 30.17329       32.01617 0.000000       0.000000 30.17329       32.01617 ?        ?        24.03517 9.394233 ?              ?        
1 1 1 5   38 26 o 33.73118 9.636909 71.67573       33.40163 0.000000       0.000000 71.67573       33.40163 ?        ?        33.73118 9.636909 ?              ?        
1 1 1 5   38 27 o 36.23280 9.300146 81.21735       33.14790 0.000000       0.000000 81.21735       33.14790 ?        ?        36.23280 9.300146 ?              ?        
1 1 1 5   38 28 f 21.35648 8.776257 18.50933       29.44349 0.000000       0.000000 18.50933       29.44349 ?        ?        21.35648 8.776257 ?              ?        
1 1 1 5   38 29 o 35.30915 9.120996 77.12832       31.74503 0.000000       0.000000 77.12832       31.74503 ?        ?        35.30915 9.120996 ?              ?        
1 1 1 5   38 30 o 37.09489 8.928516 84.25877       32.02614 0.000000       0.000000 84.25877       32.02614 ?        ?        37.09489 8.928516 ?              ?        
1 1 1 5   38 31 o 39.87729 10.44683 104.4000       41.25732 0.000000       0.000000 104.4000       41.25732 ?        ?        39.87729 10.44683 ?              ?        
1 1 1 5   38 32 o 22.26156 8.917226 23.54026       29.50932 0.000000       0.000000 23.54026       29.50932 ?        ?        22.26156 8.917226 ?              ?        
1 1 1 5   38 33 o 26.73404 11.24515 39.72000       49.97771 0.000000       0.000000 39.72000       49.97771 ?        ?        26.73404 11.24515 ?              ?        
1 1 1 5   38 34 o 34.46009 8.816797 73.30515       29.85781 0.000000       0.000000 73.30515       29.85781 ?        ?        34.46009 8.816797 ?              ?        
1 1 1 5   38 35 o 38.29209 8.457544 89.07034       30.85271 0.000000       0.000000 89.07034       30.85271 ?        ?        38.29209 8.457544 ?              ?        
1 1 1 5   38 36 o 22.36131 8.781646 26.28502       28.08882 0.000000       0.000000 26.28502       28.08882 ?        ?        22.36131 8.781646 ?              ?        
1 1 1 5   38 37 o 18.25490 8.311696 -3.526000      32.65291 0.000000       0.000000 -3.526000      32.65291 ?        ?        18.25490 8.311696 ?              ?        
1 1 1 5   38 38 o 33.12459 12.25276 88.76000       52.62820 0.000000       0.000000 88.76000       52.62820 ?        ?        33.12459 12.25276 ?              ?        
1 1 1 5   39 0  o 29.91560 6.707480 49.25618       19.15491 37.08000       42.94202 52.28072       21.40211 27.18768 10.80116 30.58962 7.257826 -3.401947      13.01311 
1 1 1 5   39 1  o 29.13438 6.836418 46.93416       19.15818 38.47000       43.52417 48.96822       21.33636 27.47657 10.88755 29.53239 7.397524 -2.055817      13.16290 
1 1 1 5   39 2  o 26.27657 7.235562 38.54782       19.19871 22.12000       42.50151 42.75925       21.51934 24.78562 10.39430 27.51350 7.692516 -2.727879      12.93121 
1 1 1 5   39 3  o 29.42427 7.085104 48.18739       20.16055 61.84000       42.36038 44.18937       22.92316 31.76752 11.08458 27.87563 7.989704 3.891890       13.66394 
1 1 1 5   39 4  o 23.09929 7.684116 28.80325       20.31764 -55.28000      40.83261 56.47182       23.42317 16.45985 8.000599 31.62214 7.651182 -15.16229      11.07024 
1 1 1 5   39 5  o 60.06594 7.873130 200.4000       45.17616 0.000000       0.000000 200.4000       45.17616 ?        ?        60.06594 7.873130 ?              ?        
1 1 1 5   39 6  o 21.90988 8.541228 21.18355       26.40999 0.000000       0.000000 21.18355       26.40999 ?        ?        21.90988 8.541228 ?              ?        
1 1 1 5   39 7  f 55.99448 5.068839 162.4761       27.48116 200.1000       47.97709 144.1040       33.52600 59.44060 8.486688 51.59442 6.804241 7.846176       10.87757 
1 1 1 5   39 8  o 23.96817 9.274487 27.63682       30.96124 26.85000       39.32425 28.92000       50.21861 24.97977 10.18958 26.68832 11.25168 -1.708546      15.17985 
1 1 1 5   39 9  o 42.38305 5.334800 94.22713       21.64258 91.12000       41.19552 95.41165       25.43557 38.15877 10.63402 42.07672 6.375285 -3.917953      12.39866 
1 1 1 5   39 10 o 39.46322 5.427684 82.09589       20.41113 43.67000       35.96709 100.3496       24.78953 27.71311 10.15004 43.36703 6.000457 -15.65392      11.79104 
1 1 1 5   39 11 o 26.69805 7.110530 40.00441       18.91271 0.000000       0.000000 40.00441       18.91271 ?        ?        26.69805 7.110530 ?              ?        
1 1 1 5   39 12 o 21.15822 7.324076 23.41014       18.47563 0.000000       0.000000 23.41014       18.47563 ?        ?        21.15822 7.324076 ?              ?        
1 1 1 5   39 13 o 40.83456 5.076900 87.24306       19.85542 0.000000       0.000000 87.24306       19.85542 ?        ?        40.83456 5.076900 ?              ?        
1 1 1 5   39 14 o 27.32569 6.718093 41.61470       17.84065 0.000000       0.000000 41.61470       17.84065 ?        ?        27.32569 6.718093 ?              ?        
1 1 1 5   39 15 o 18.83856 6.793460 17.36316       16.02658 0.000000       0.000000 17.36316       16.02658 ?        ?        18.83856 6.793460 ?              ?        
1 1 1 5   39 16 o 25.79981 6.408210 36.88218       16.10995 0.000000       0.000000 36.88218       16.10995 ?        ?        25.79981 6.408210 ?              ?        
1 1 1 5   39 17 o 37.20346 5.587687 73.86698       19.71982 0.000000       0.000000 73.86698       19.71982 ?        ?        37.20346 5.587687 ?              ?        
1 1 1 5   39 18 o 19.15757 5.913331 19.70778       12.19644 0.000000       0.000000 19.70778       12.19644 ?        ?        19.15757 5.913331 ?              ?        
1 1 1 5   39 19 o 18.63987 8.567534 -11.20000      35.79365 0.000000       0.000000 -11.20000      35.79365 ?        ?        18.63987 8.567534 ?              ?        
1 1 1 5   39 20 o 55.69094 6.900349 171.7530       36.81100 0.000000       0.000000 171.7530       36.81100 ?        ?        55.69094 6.900349 ?              ?        
1 1 1 5   39 21 o 28.85368 12.03063 49.03000       56.44559 0.000000       0.000000 49.03000       56.44559 ?        ?        28.85368 12.03063 ?              ?        
1 1 1 5   39 22 o 16.56728 7.726735 -17.00795      30.73934 0.000000       0.000000 -17.00795      30.73934 ?        ?        16.56728 7.726735 ?              ?        
1 1 1 5   39 23 o 22.23343 9.031115 21.91430       30.73604 0.000000       0.000000 21.91430       30.73604 ?        ?        22.23343 9.031115 ?              ?        
1 1 1 5   39 24 o 17.00615 7.802511 -10.24207      29.50349 0.000000       0.000000 -10.24207      29.50349 ?        ?        17.00615 7.802511 ?              ?        
1 1 1 5   39 25 o 25.14193 9.353757 36.38458       30.75206 0.000000       0.000000 36.38458       30.75206 ?        ?        25.14193 9.353757 ?              ?        
1 1 1 5   39 26 o 21.14431 8.727062 17.68411       29.28214 0.000000       0.000000 17.68411       29.28214 ?        ?        21.14431 8.727062 ?              ?        
1 1 1 5   39 27 o 38.43647 8.612054 89.20046       31.59589 0.000000       0.000000 89.20046       31.59589 ?        ?        38.43647 8.612054 ?              ?        
1 1 1 5   39 28 o 43.96230 7.789757 112.1065       32.29358 0.000000       0.000000 112.1065       32.29358 ?        ?        43.96230 7.789757 ?              ?        
1 1 1 5   39 29 o 14.02156 6.771863 -34.01621      28.07280 0.000000       0.000000 -34.01621      28.07280 ?        ?        14.02156 6.771863 ?              ?        
1 1 1 5   39 30 o 22.23054 9.429078 18.58000       35.61984 0.000000       0.000000 18.58000       35.61984 ?        ?        22.23054 9.429078 ?              ?        
1 1 1 5   39 31 o 28.93034 9.314266 53.00087       29.96268 0.000000       0.000000 53.00087       29.96268 ?        ?        28.93034 9.314266 ?              ?        
1 1 1 5   39 32 o 32.39154 12.12346 77.69000       51.81405 0.000000       0.000000 77.69000       51.81405 ?        ?        32.39154 12.12346 ?              ?        
1 1 1 5   39 33 o 17.61634 7.828017 0.8205880      27.03978 0.000000       0.000000 0.8205880      27.03978 ?        ?        17.61634 7.828017 ?              ?        
1 1 1 5   39 34 o 21.48183 8.701734 21.88508       28.44398 0.000000       0.000000 21.88508       28.44398 ?        ?        21.48183 8.701734 ?              ?        
1 1 1 5   39 35 o 17.91468 7.895550 3.807341       26.96493 0.000000       0.000000 3.807341       26.96493 ?        ?        17.91468 7.895550 ?              ?        
1 1 1 5   39 36 o 49.00329 6.976448 138.3593       32.51899 0.000000       0.000000 138.3593       32.51899 ?        ?        49.00329 6.976448 ?              ?        
1 1 1 5   40 0  o 42.42120 5.169475 94.31985       21.02249 78.89000       45.33718 98.54613       23.72750 34.70708 11.47623 43.03101 5.779303 -8.323925      12.84929 
1 1 1 5   40 1  o 47.66188 4.704659 117.5093       21.66260 63.21000       45.90531 133.0652       24.57043 31.58913 11.48269 50.55286 5.032237 -18.96373      12.53697 
1 1 1 5   40 2  f 45.29455 5.751999 108.9830       24.92747 83.41000       45.84821 119.7150       29.70092 35.58997 11.52725 46.90645 6.655550 -11.31647      13.31067 
1 1 1 5   40 3  o 32.05977 7.657337 58.63707       23.69836 77.29000       43.12878 50.56939       28.36403 34.54022 11.17959 29.20106 9.018535 5.339159       14.36375 
1 1 1 5   40 4  o 46.62022 6.776819 118.7390       30.01983 0.000000       0.000000 118.7390       30.01983 ?        ?        46.62022 6.776819 ?              ?        
1 1 1 5   40 5  o 15.80333 6.837202 1.407877       19.42490 -16.46000      39.65781 7.047780       22.28066 19.22419 8.900827 17.83142 7.504827 1.392775       11.64247 
1 1 1 5   40 6  o 18.99428 7.705932 12.49427       22.34583 0.000000       0.000000 12.49427       22.34583 ?        ?        18.99428 7.705932 ?              ?        
1 1 1 5   40 7  o 51.14940 5.451361 137.7254       26.87294 107.4000       45.89702 153.5445       33.14910 40.66146 11.18375 53.28629 6.489158 -12.62483      12.93002 
1 1 1 5   40 8  o 24.01787 8.120698 32.07614       22.68331 -1.088000      35.83240 54.25368       29.30207 20.01416 8.944683 30.06211 9.144463 -10.04795      12.79174 
1 1 1 5   40 9  o 19.99648 7.661149 18.16892       20.97864 -2.075000      31.52779 34.25385       28.10321 18.81277 8.400206 24.89429 8.993491 -6.081526      12.30635 
1 1 1 5   40 10 o 45.66939 4.750692 108.3528       20.92675 0.000000       0.000000 108.3528       20.92675 ?        ?        45.66939 4.750692 ?              ?        
1 1 1 5   40 11 o 38.72494 5.436551 79.57965       20.04052 0.000000       0.000000 79.57965       20.04052 ?        ?        38.72494 5.436551 ?              ?        
1 1 1 5   40 12 o 43.20184 4.837473 97.31404       20.10546 0.000000       0.000000 97.31404       20.10546 ?        ?        43.20184 4.837473 ?              ?        
1 1 1 5   40 13 o 38.83986 5.299853 79.92286       19.62367 0.000000       0.000000 79.92286       19.62367 ?        ?        38.83986 5.299853 ?              ?        
1 1 1 5   40 14 o 50.77318 4.144094 132.2204       20.41641 0.000000       0.000000 132.2204       20.41641 ?        ?        50.77318 4.144094 ?              ?        
1 1 1 5   40 15 o 20.59315 6.921288 22.82718       16.47795 0.000000       0.000000 22.82718       16.47795 ?        ?        20.59315 6.921288 ?              ?        
1 1 1 5   40 16 o 50.26272 5.263149 133.5681       25.51044 0.000000       0.000000 133.5681       25.51044 ?        ?        50.26272 5.263149 ?              ?        
1 1 1 5   40 17 o 43.55889 5.382557 100.9649       22.46168 0.000000       0.000000 100.9649       22.46168 ?        ?        43.55889 5.382557 ?              ?        
1 1 1 5   40 18 o 25.67313 5.489871 35.91157       13.37804 0.000000       0.000000 35.91157       13.37804 ?        ?        25.67313 5.489871 ?              ?        
1 1 1 5   40 19 o 37.87166 8.918823 87.53471       32.51225 0.000000       0.000000 87.53471       32.51225 ?        ?        37.87166 8.918823 ?              ?        
1 1 1 5   40 20 f 26.16234 11.13690 33.34000       50.00049 0.000000       0.000000 33.34000       50.00049 ?        ?        26.16234 11.13690 ?              ?        
1 1 1 5   40 21 o 28.91898 9.493002 52.19502       31.04174 0.000000       0.000000 52.19502       31.04174 ?        ?        28.91898 9.493002 ?              ?        
1 1 1 5   40 22 f 25.14918 9.362831 36.57531       30.82182 0.000000       0.000000 36.57531       30.82182 ?        ?        25.14918 9.362831 ?              ?        
1 1 1 5   40 23 o 50.89786 7.120200 146.0783       34.50380 0.000000       0.000000 146.0783       34.50380 ?        ?        50.89786 7.120200 ?              ?        
1 1 1 5   40 24 o 29.63184 9.328668 55.25800       30.19327 0.000000       0.000000 55.25800       30.19327 ?        ?        29.63184 9.328668 ?              ?        
1 1 1 5   40 25 o 27.91452 9.330664 48.63139       29.95131 0.000000       0.000000 48.63139       29.95131 ?        ?        27.91452 9.330664 ?              ?        
1 1 1 5   40 26 o 28.36961 9.440576 50.65975       30.66721 0.000000       0.000000 50.65975       30.66721 ?        ?        28.36961 9.440576 ?              ?        
1 1 1 5   40 27 o 38.29184 8.825527 89.83926       32.40037 0.000000       0.000000 89.83926       32.40037 ?        ?        38.29184 8.825527 ?              ?        
1 1 1 5   40 28 o 50.30357 9.417521 157.5000       44.66666 0.000000       0.000000 157.5000       44.66666 ?        ?        50.30357 9.417521 ?              ?        
1 1 1 5   40 29 o 28.16808 9.426338 50.44599       30.56748 0.000000       0.000000 50.44599       30.56748 ?        ?        28.16808 9.426338 ?              ?        
1 1 1 5   40 30 o 21.17043 9.820514 -7.538000      48.62143 0.000000       0.000000 -7.538000      48.62143 ?        ?        21.17043 9.820514 ?              ?        
1 1 1 5   40 31 o 18.03895 8.017168 1.660127       28.37445 0.000000       0.000000 1.660127       28.37445 ?        ?        18.03895 8.017168 ?              ?        
1 1 1 5   40 32 o 24.70196 9.055935 36.98761       28.64174 0.000000       0.000000 36.98761       28.64174 ?        ?        24.70196 9.055935 ?              ?        
1 1 1 5   40 33 o 31.77284 9.042509 65.30696       29.46419 0.000000       0.000000 65.30696       29.46419 ?        ?        31.77284 9.042509 ?              ?        
1 1 1 5   40 34 o 12.37029 6.082292 -42.21167      25.68714 0.000000       0.000000 -42.21167      25.68714 ?        ?        12.37029 6.082292 ?              ?        
1 1 1 5   40 35 o 34.41628 8.735897 76.15554       29.47526 0.000000       0.000000 76.15554       29.47526 ?        ?        34.41628 8.735897 ?              ?        
1 1 1 5   41 0  o 17.62043 7.334079 8.269710       20.92392 -14.87000      41.68055 16.06588       24.19331 19.71592 9.127273 20.10308 8.066784 -0.3871651     12.18114 
1 1 1 5   41 1  o 35.41056 6.212782 68.37640       20.74907 59.77000       44.08412 70.82552       23.51678 30.62006 11.23348 35.58535 7.000997 -4.965290      13.23651 
1 1 1 5   41 2  o 13.64522 6.373289 -15.41877      21.03851 0.000000       0.000000 -15.41877      21.03851 ?        ?        13.64522 6.373289 ?              ?        
1 1 1 5   41 3  o 34.86925 6.737938 67.50894       22.16492 6.899000       40.38139 93.64323       26.51640 21.86446 9.648171 41.15279 6.821536 -19.28833      11.81611 
1 1 1 5   41 4  o 20.42130 7.408089 21.10590       19.09365 -49.95000      37.58057 45.83044       22.16805 15.73742 7.655356 28.11649 7.787733 -12.37907      10.92031 
1 1 1 5   41 5  o 20.07188 7.856081 17.64678       22.41599 39.85000       35.69193 3.184695       28.80564 26.47563 10.02878 18.79538 8.225883 7.680254       12.97080 
1 1 1 5   41 6  f 27.96026 8.093385 45.88008       23.41308 65.43000       36.82891 32.62003       30.33115 31.98255 10.32912 24.53711 9.256089 7.445446       13.86961 
1 1 1 5   41 7  o 44.76700 5.954471 107.9900       25.44556 0.000000       0.000000 107.9900       25.44556 ?        ?        44.76700 5.954471 ?              ?        
1 1 1 5   41 8  o 21.89155 7.413371 26.23449       18.90422 2.362000       32.72211 38.19369       23.16027 19.56428 8.656739 25.61960 8.183090 -6.055321      11.91227 
1 1 1 5   41 9  o 19.59264 7.707666 16.55386       21.67099 0.000000       0.000000 16.55386       21.67099 ?        ?        19.59264 7.707666 ?              ?        
1 1 1 5   41 10 o 33.52017 6.251940 61.91835       19.75853 0.000000       0.000000 61.91835       19.75853 ?        ?        33.52017 6.251940 ?              ?        
1 1 1 5   41 11 o 22.38848 7.389491 28.04850       18.79959 0.000000       0.000000 28.04850       18.79959 ?        ?        22.38848 7.389491 ?              ?        
1 1 1 5   41 12 o 44.99398 4.777547 105.9913       20.71973 0.000000       0.000000 105.9913       20.71973 ?        ?        44.99398 4.777547 ?              ?        
1 1 1 5   41 13 o 28.55380 6.858550 46.36310       18.92816 0.000000       0.000000 46.36310       18.92816 ?        ?        28.55380 6.858550 ?              ?        
1 1 1 5   41 14 o 14.18876 6.267532 -1.601820      17.08230 0.000000       0.000000 -1.601820      17.08230 ?        ?        14.18876 6.267532 ?              ?        
1 1 1 5   41 15 o 25.01197 6.953105 35.84683       17.63578 0.000000       0.000000 35.84683       17.63578 ?        ?        25.01197 6.953105 ?              ?        
1 1 1 5   41 16 o 18.10817 7.805066 5.907389       25.12764 0.000000       0.000000 5.907389       25.12764 ?        ?        18.10817 7.805066 ?              ?        
1 1 1 5   41 17 o 26.99040 6.666502 41.32030       17.50705 0.000000       0.000000 41.32030       17.50705 ?        ?        26.99040 6.666502 ?              ?        
1 1 1 5   41 18 o 21.97052 5.947076 26.78941       13.09947 0.000000       0.000000 26.78941       13.09947 ?        ?        21.97052 5.947076 ?              ?        
1 1 1 5   41 19 o 37.65038 8.932525 87.19806       32.42006 0.000000       0.000000 87.19806       32.42006 ?        ?        37.65038 8.932525 ?              ?        
1 1 1 5   41 20 o 39.14572 8.497348 92.29369       31.62311 0.000000       0.000000 92.29369       31.62311 ?        ?        39.14572 8.497348 ?              ?        
1 1 1 5   41 21 o 47.85070 7.263329 130.3050       32.95227 0.000000       0.000000 130.3050       32.95227 ?        ?        47.85070 7.263329 ?              ?        
1 1 1 5   41 22 o 52.38666 6.932212 154.2189       34.67505 0.000000       0.000000 154.2189       34.67505 ?        ?        52.38666 6.932212 ?              ?        
1 1 1 5   41 23 o 28.19407 9.401042 50.10180       30.40788 0.000000       0.000000 50.10180       30.40788 ?        ?        28.19407 9.401042 ?              ?        
1 1 1 5   41 24 o 16.53568 7.624627 -11.01482      28.66776 0.000000       0.000000 -11.01482      28.66776 ?        ?        16.53568 7.624627 ?              ?        
1 1 1 5   41 25 o 19.45103 8.426030 8.353849       29.57706 0.000000       0.000000 8.353849       29.57706 ?        ?        19.45103 8.426030 ?              ?        
1 1 1 5   41 26 o 23.42299 9.107686 30.05655       29.96833 0.000000       0.000000 30.05655       29.96833 ?        ?        23.42299 9.107686 ?              ?        
1 1 1 5   41 27 o 30.01428 10.53494 61.18000       38.29855 0.000000       0.000000 61.18000       38.29855 ?        ?        30.01428 10.53494 ?              ?        
1 1 1 5   41 28 o 21.38135 8.681723 21.04053       28.39132 0.000000       0.000000 21.04053       28.39132 ?        ?        21.38135 8.681723 ?              ?        
1 1 1 5   41 29 o 21.77748 10.01472 0.9822000      48.99236 0.000000       0.000000 0.9822000      48.99236 ?        ?        21.77748 10.01472 ?              ?        
1 1 1 5   41 30 o 38.66032 8.465968 92.20393       31.14731 0.000000       0.000000 92.20393       31.14731 ?        ?        38.66032 8.465968 ?              ?        
1 1 1 5   41 31 o 26.45367 9.139572 45.14024       28.76475 0.000000       0.000000 45.14024       28.76475 ?        ?        26.45367 9.139572 ?              ?        
1 1 1 5   41 32 o 22.81998 8.818969 30.30515       27.96830 0.000000       0.000000 30.30515       27.96830 ?        ?        22.81998 8.818969 ?              ?        
1 1 1 5   41 33 o 19.72083 8.331906 15.31856       27.63215 0.000000       0.000000 15.31856       27.63215 ?        ?        19.72083 8.331906 ?              ?        
1 1 1 5   42 0  o 12.69408 5.918132 -12.82350      18.00630 46.93000       38.43764 -29.62307      20.38094 27.59071 10.41723 11.69502 5.677125 15.89569       11.86374 
1 1 1 5   42 1  o 25.04267 7.713161 36.53138       20.76420 45.29000       38.09084 32.82825       24.76776 27.26577 10.35287 23.97880 8.467318 3.286966       13.37451 
1 1 1 5   42 2  o 39.41296 7.732174 90.06759       28.76355 53.25000       38.12726 138.7000       43.81985 28.85277 10.46814 47.01657 9.838137 -18.16380      14.36562 
1 1 1 5   42 3  o 52.88702 4.218974 144.2187       21.65954 139.5000       40.58938 146.0974       25.61075 48.08491 8.953145 52.68229 5.027406 -4.597382      10.26809 
1 1 1 5   42 4  o 39.33813 6.443938 85.61803       23.95422 71.07000       36.02583 97.14716       32.07080 33.01510 10.15812 40.43127 8.379285 -7.416172      13.16813 
1 1 1 5   42 5  o 30.77833 6.615202 53.30952       19.33584 50.76000       34.04457 54.52355       23.49267 28.39865 9.935257 30.39307 7.844010 -1.994425      12.65851 
1 1 1 5   42 6  o 47.31581 4.574936 116.6436       20.92438 120.3000       36.09134 114.7924       25.68082 44.97971 8.509067 46.10283 5.820290 -1.123123      10.30922 
1 1 1 5   42 7  o 30.58584 7.786457 55.18120       23.36834 0.000000       0.000000 55.18120       23.36834 ?        ?        30.58584 7.786457 ?              ?        
1 1 1 5   42 8  o 33.21554 7.440747 63.98973       23.58988 0.000000       0.000000 63.98973       23.58988 ?        ?        33.21554 7.440747 ?              ?        
1 1 1 5   42 9  o 50.38069 4.576110 132.3218       22.32069 0.000000       0.000000 132.3218       22.32069 ?        ?        50.38069 4.576110 ?              ?        
1 1 1 5   42 10 o 14.35218 6.582788 -9.194822      20.97789 0.000000       0.000000 -9.194822      20.97789 ?        ?        14.35218 6.582788 ?              ?        
1 1 1 5   42 11 o 31.40584 6.662285 55.71727       19.84515 0.000000       0.000000 55.71727       19.84515 ?        ?        31.40584 6.662285 ?              ?        
1 1 1 5   42 12 o 22.05746 7.333158 27.30827       18.50469 0.000000       0.000000 27.30827       18.50469 ?        ?        22.05746 7.333158 ?              ?        
1 1 1 5   42 13 o 42.82517 4.941032 96.79382       20.33273 0.000000       0.000000 96.79382       20.33273 ?        ?        42.82517 4.941032 ?              ?        
1 1 1 5   42 14 o 29.31913 7.026117 49.41930       19.90025 0.000000       0.000000 49.41930       19.90025 ?        ?        29.31913 7.026117 ?              ?        
1 1 1 5   42 15 o 17.74468 6.953068 13.37458       17.57557 0.000000       0.000000 13.37458       17.57557 ?        ?        17.74468 6.953068 ?              ?        
1 1 1 5   42 16 o 29.27432 7.890923 51.18748       23.12046 0.000000       0.000000 51.18748       23.12046 ?        ?        29.27432 7.890923 ?              ?        
1 1 1 5   42 17 o 20.43618 7.302291 22.27687       18.47017 0.000000       0.000000 22.27687       18.47017 ?        ?        20.43618 7.302291 ?              ?        
1 1 1 5   42 18 o 45.81849 4.549870 109.7794       20.13615 0.000000       0.000000 109.7794       20.13615 ?        ?        45.81849 4.549870 ?              ?        
1 1 1 5   42 19 o 29.06357 9.354206 53.71648       30.22180 0.000000       0.000000 53.71648       30.22180 ?        ?        29.06357 9.354206 ?              ?        
1 1 1 5   42 20 o 22.51672 8.921252 25.73746       29.21988 0.000000       0.000000 25.73746       29.21988 ?        ?        22.51672 8.921252 ?              ?        
1 1 1 5   42 21 o 18.98216 8.274684 6.452677       28.89822 0.000000       0.000000 6.452677       28.89822 ?        ?        18.98216 8.274684 ?              ?        
1 1 1 5   42 22 o 19.22377 8.378561 7.090007       29.61744 0.000000       0.000000 7.090007       29.61744 ?        ?        19.22377 8.378561 ?              ?        
1 1 1 5   42 23 o 20.92255 8.725409 17.55577       29.69938 0.000000       0.000000 17.55577       29.69938 ?        ?        20.92255 8.725409 ?              ?        
1 1 1 5   42 24 f 22.85034 8.982648 27.87843       29.41471 0.000000       0.000000 27.87843       29.41471 ?        ?        22.85034 8.982648 ?              ?        
1 1 1 5   42 25 o 18.04415 8.325854 -9.558000      34.26684 0.000000       0.000000 -9.558000      34.26684 ?        ?        18.04415 8.325854 ?              ?        
1 1 1 5   42 26 o 22.18963 8.873753 25.25223       29.17289 0.000000       0.000000 25.25223       29.17289 ?        ?        22.18963 8.873753 ?              ?        
1 1 1 5   42 27 o 20.99914 9.849981 -10.30000      51.15569 0.000000       0.000000 -10.30000      51.15569 ?        ?        20.99914 9.849981 ?              ?        
1 1 1 5   42 28 o 20.34506 8.593216 16.03687       29.37904 0.000000       0.000000 16.03687       29.37904 ?        ?        20.34506 8.593216 ?              ?        
1 1 1 5   42 29 o 17.09418 7.737988 -2.298410      27.79930 0.000000       0.000000 -2.298410      27.79930 ?        ?        17.09418 7.737988 ?              ?        
1 1 1 5   42 30 o 26.29774 9.124638 45.36792       28.68392 0.000000       0.000000 45.36792       28.68392 ?        ?        26.29774 9.124638 ?              ?        
1 1 1 5   43 0  o 35.04493 6.449580 68.59003       21.30897 31.77000       37.19353 86.58120       25.99891 24.56311 9.950265 39.01250 7.068596 -14.44940      12.20544 
1 1 1 5   43 1  o 25.11596 7.589460 36.95708       20.23012 -3.261000      34.99778 57.13834       24.79156 19.10273 8.661170 30.84432 8.106721 -11.74159      11.86317 
1 1 1 5   43 2  o 22.93369 7.359687 30.09503       18.71746 81.87000       35.65394 10.39713       21.99164 35.51974 9.890878 18.12159 7.528792 17.39816       12.43029 
1 1 1 5   43 3  o 17.41345 7.430325 6.392633       22.35036 -17.03000      33.18850 25.83070       30.23405 17.12441 8.000444 22.74886 9.054829 -5.624449      12.08292 
1 1 1 5   43 4  o 26.81927 7.533182 42.25352       20.58666 63.93000       33.98400 29.68794       25.87447 31.35184 9.900522 23.15098 8.586214 8.200863       13.10509 
1 1 1 5   43 5  o 21.97865 8.307259 25.41168       24.45886 30.82000       30.95260 16.42000       39.91040 23.83328 9.259170 22.55774 9.779796 1.275545       13.46761 
1 1 1 5   43 6  o 39.01286 5.657835 82.39144       20.97578 0.000000       0.000000 82.39144       20.97578 ?        ?        39.01286 5.657835 ?              ?        
1 1 1 5   43 7  o 32.78396 6.619586 60.58754       20.50953 0.000000       0.000000 60.58754       20.50953 ?        ?        32.78396 6.619586 ?              ?        
1 1 1 5   43 8  o 19.29392 7.768063 15.37817       22.51486 0.000000       0.000000 15.37817       22.51486 ?        ?        19.29392 7.768063 ?              ?        
1 1 1 5   43 9  o 16.56203 6.911594 7.496405       18.65363 0.000000       0.000000 7.496405       18.65363 ?        ?        16.56203 6.911594 ?              ?        
1 1 1 5   43 10 o 14.03171 6.472213 -10.36919      20.68156 0.000000       0.000000 -10.36919      20.68156 ?        ?        14.03171 6.472213 ?              ?        
1 1 1 5   43 11 o 16.96051 6.889128 10.13431       17.88474 0.000000       0.000000 10.13431       17.88474 ?        ?        16.96051 6.889128 ?              ?        
1 1 1 5   43 12 o 57.43266 4.014237 169.7164       22.42463 0.000000       0.000000 169.7164       22.42463 ?        ?        57.43266 4.014237 ?              ?        
1 1 1 5   43 13 f 53.02978 4.555999 146.9160       23.41984 0.000000       0.000000 146.9160       23.41984 ?        ?        53.02978 4.555999 ?              ?        
1 1 1 5   43 14 o 25.53969 6.992607 37.83486       17.98949 0.000000       0.000000 37.83486       17.98949 ?        ?        25.53969 6.992607 ?              ?        
1 1 1 5   43 15 o 14.30137 6.407362 -3.490026      18.50920 0.000000       0.000000 -3.490026      18.50920 ?        ?        14.30137 6.407362 ?              ?        
1 1 1 5   43 16 o 14.73777 6.723913 -7.418005      21.50751 0.000000       0.000000 -7.418005      21.50751 ?        ?        14.73777 6.723913 ?              ?        
1 1 1 5   43 17 o 20.22375 6.947734 22.36852       16.61443 0.000000       0.000000 22.36852       16.61443 ?        ?        20.22375 6.947734 ?              ?        
1 1 1 5   43 18 o 32.82248 9.252447 68.84554       30.99795 0.000000       0.000000 68.84554       30.99795 ?        ?        32.82248 9.252447 ?              ?        
1 1 1 5   43 19 o 25.78470 9.374527 41.05607       30.59865 0.000000       0.000000 41.05607       30.59865 ?        ?        25.78470 9.374527 ?              ?        
1 1 1 5   43 20 o 30.67411 9.429430 61.26194       31.05111 0.000000       0.000000 61.26194       31.05111 ?        ?        30.67411 9.429430 ?              ?        
1 1 1 5   43 21 o 23.00756 8.981447 29.00130       29.23479 0.000000       0.000000 29.00130       29.23479 ?        ?        23.00756 8.981447 ?              ?        
1 1 1 5   43 22 o 26.87539 9.223483 45.77976       29.27909 0.000000       0.000000 45.77976       29.27909 ?        ?        26.87539 9.223483 ?              ?        
1 1 1 5   43 23 o 19.72642 8.425834 12.40934       28.79279 0.000000       0.000000 12.40934       28.79279 ?        ?        19.72642 8.425834 ?              ?        
1 1 1 5   43 24 o 21.25598 9.212869 15.47000       35.39744 0.000000       0.000000 15.47000       35.39744 ?        ?        21.25598 9.212869 ?              ?        
1 1 1 5   43 25 o 17.46444 7.869311 -1.036449      28.36703 0.000000       0.000000 -1.036449      28.36703 ?        ?        17.46444 7.869311 ?              ?        
1 1 1 5   43 26 o 21.25132 9.874434 -1.072000      49.47081 0.000000       0.000000 -1.072000      49.47081 ?        ?        21.25132 9.874434 ?              ?        
1 1 1 5   43 27 o 24.07683 9.063732 36.28753       29.05011 0.000000       0.000000 36.28753       29.05011 ?        ?        24.07683 9.063732 ?              ?        
1 1 1 5   43 28 o 21.38330 8.659528 23.92408       28.16024 0.000000       0.000000 23.92408       28.16024 ?        ?        21.38330 8.659528 ?              ?        
1 1 1 5   44 0  o 16.71484 7.060645 6.763714       19.83758 -11.43000      35.28600 15.17142       23.98726 18.13645 8.396745 19.47934 7.953552 -1.342894      11.56565 
1 1 1 5   44 1  o 24.63945 7.324801 35.52514       18.95976 23.44000       36.79215 39.89479       22.12347 22.98265 9.656656 25.80341 7.964118 -2.820759      12.51712 
1 1 1 5   44 2  o 48.15466 5.588831 125.1857       25.85431 102.4000       40.32383 141.0916       33.69072 39.14538 10.36283 49.79727 7.113857 -10.65189      12.56961 
1 1 1 5   44 3  o 13.81072 6.225321 -4.674262      17.77180 -18.44000      31.50804 1.748551       21.52208 16.43846 7.716952 16.23730 7.108198 0.2011662      10.49180 
1 1 1 5   44 4  o 15.98409 7.069482 -0.1600748     21.79943 0.000000       0.000000 -0.1600748     21.79943 ?        ?        15.98409 7.069482 ?              ?        
1 1 1 5   44 5  o 19.61781 7.386818 19.32594       19.29759 0.000000       0.000000 19.32594       19.29759 ?        ?        19.61781 7.386818 ?              ?        
1 1 1 5   44 6  o 33.58240 6.576821 63.82558       20.84505 0.000000       0.000000 63.82558       20.84505 ?        ?        33.58240 6.576821 ?              ?        
1 1 1 5   44 7  o 31.01908 7.448152 56.70899       22.32836 0.000000       0.000000 56.70899       22.32836 ?        ?        31.01908 7.448152 ?              ?        
1 1 1 5   44 8  o 51.64687 6.556125 148.8949       32.39761 0.000000       0.000000 148.8949       32.39761 ?        ?        51.64687 6.556125 ?              ?        
1 1 1 5   44 9  o 33.31046 7.553832 65.44381       24.06036 0.000000       0.000000 65.44381       24.06036 ?        ?        33.31046 7.553832 ?              ?        
1 1 1 5   44 10 o 13.05746 6.057913 -11.16686      18.51113 0.000000       0.000000 -11.16686      18.51113 ?        ?        13.05746 6.057913 ?              ?        
1 1 1 5   44 11 o 26.47731 8.404079 42.93742       24.45941 0.000000       0.000000 42.93742       24.45941 ?        ?        26.47731 8.404079 ?              ?        
1 1 1 5   44 12 o 23.00199 7.637119 30.74344       20.07209 0.000000       0.000000 30.74344       20.07209 ?        ?        23.00199 7.637119 ?              ?        
1 1 1 5   44 13 f 18.45553 7.033985 16.24329       17.62443 0.000000       0.000000 16.24329       17.62443 ?        ?        18.45553 7.033985 ?              ?        
1 1 1 5   44 14 o 23.05723 7.792009 30.96281       20.88417 0.000000       0.000000 30.96281       20.88417 ?        ?        23.05723 7.792009 ?              ?        
1 1 1 5   44 15 o 21.43684 7.047309 26.14565       17.10494 0.000000       0.000000 26.14565       17.10494 ?        ?        21.43684 7.047309 ?              ?        
1 1 1 5   44 16 o 16.23572 7.091324 2.523536       21.31333 0.000000       0.000000 2.523536       21.31333 ?        ?        16.23572 7.091324 ?              ?        
1 1 1 5   44 17 o 36.89002 8.654798 84.65435       30.70940 0.000000       0.000000 84.65435       30.70940 ?        ?        36.89002 8.654798 ?              ?        
1 1 1 5   44 18 o 24.25969 9.148154 34.92659       29.62191 0.000000       0.000000 34.92659       29.62191 ?        ?        24.25969 9.148154 ?              ?        
1 1 1 5   44 19 o 41.07656 8.196523 102.1925       31.80009 0.000000       0.000000 102.1925       31.80009 ?        ?        41.07656 8.196523 ?              ?        
1 1 1 5   44 20 o 38.38458 8.539006 91.59214       31.25456 0.000000       0.000000 91.59214       31.25456 ?        ?        38.38458 8.539006 ?              ?        
1 1 1 5   44 21 o 19.07130 8.275170 9.310712       28.62337 0.000000       0.000000 9.310712       28.62337 ?        ?        19.07130 8.275170 ?              ?        
1 1 1 5   44 22 o 27.87859 10.14763 53.66000       35.86815 0.000000       0.000000 53.66000       35.86815 ?        ?        27.87859 10.14763 ?              ?        
1 1 1 5   44 23 o 14.20691 6.822376 -26.94073      27.55044 0.000000       0.000000 -26.94073      27.55044 ?        ?        14.20691 6.822376 ?              ?        
1 1 1 5   44 24 o 21.18534 9.879191 -0.5348000     50.22371 0.000000       0.000000 -0.5348000     50.22371 ?        ?        21.18534 9.879191 ?              ?        
1 1 1 5   44 25 o 25.71005 9.186468 43.66799       29.23118 0.000000       0.000000 43.66799       29.23118 ?        ?        25.71005 9.186468 ?              ?        
1 1 1 5   45 0  o 26.50584 7.276715 41.47597       19.45096 20.64000       36.42271 49.78905       23.00628 22.35418 9.510160 28.64923 7.932960 -6.295046      12.38447 
1 1 1 5   45 1  o 22.47604 8.724705 27.23208       27.46498 11.44000       34.14850 56.16000       46.21794 20.64011 8.996251 28.57942 11.25213 -7.939316      14.40635 
1 1 1 5   45 2  o 37.57213 5.576555 76.89513       19.88737 57.05000       34.85222 86.47667       24.21704 29.20788 10.06164 39.17243 6.546752 -9.964552      12.00402 
1 1 1 5   45 3  o 20.26394 7.431670 21.84018       19.29162 0.000000       0.000000 21.84018       19.29162 ?        ?        20.26394 7.431670 ?              ?        
1 1 1 5   45 4  o 32.85880 6.616780 61.47532       20.54467 0.000000       0.000000 61.47532       20.54467 ?        ?        32.85880 6.616780 ?              ?        
1 1 1 5   45 5  o 20.01459 7.482341 20.77033       19.72478 0.000000       0.000000 20.77033       19.72478 ?        ?        20.01459 7.482341 ?              ?        
1 1 1 5   45 6  o 22.67739 7.607770 29.85509       19.90945 0.000000       0.000000 29.85509       19.90945 ?        ?        22.67739 7.607770 ?              ?        
1 1 1 5   45 7  o 40.80088 5.536975 90.42103       21.54291 0.000000       0.000000 90.42103       21.54291 ?        ?        40.80088 5.536975 ?              ?        
1 1 1 5   45 8  o 28.08014 7.346265 46.78049       20.41984 0.000000       0.000000 46.78049       20.41984 ?        ?        28.08014 7.346265 ?              ?        
1 1 1 5   45 9  o 25.85921 8.271702 41.09560       23.65794 0.000000       0.000000 41.09560       23.65794 ?        ?        25.85921 8.271702 ?              ?        
1 1 1 5   45 10 o 23.53489 7.786922 32.89067       20.87216 0.000000       0.000000 32.89067       20.87216 ?        ?        23.53489 7.786922 ?              ?        
1 1 1 5   45 11 o 30.55943 9.996780 63.43000       34.43679 0.000000       0.000000 63.43000       34.43679 ?        ?        30.55943 9.996780 ?              ?        
1 1 1 5   45 12 o 34.38956 7.190436 69.18618       23.42405 0.000000       0.000000 69.18618       23.42405 ?        ?        34.38956 7.190436 ?              ?        
1 1 1 5   45 13 o 33.50428 6.132612 62.89468       19.37094 0.000000       0.000000 62.89468       19.37094 ?        ?        33.50428 6.132612 ?              ?        
1 1 1 5   45 14 o 17.69011 6.906272 14.03994       17.28721 0.000000       0.000000 14.03994       17.28721 ?        ?        17.69011 6.906272 ?              ?        
1 1 1 5   45 15 f 24.04814 6.888020 33.89332       17.04290 0.000000       0.000000 33.89332       17.04290 ?        ?        24.04814 6.888020 ?              ?        
1 1 1 5   45 16 o 28.16293 9.196903 52.02589       29.15237 0.000000       0.000000 52.02589       29.15237 ?        ?        28.16293 9.196903 ?              ?        
1 1 1 5   45 17 o 18.68591 8.098578 8.805326       27.35020 0.000000       0.000000 8.805326       27.35020 ?        ?        18.68591 8.098578 ?              ?        
1 1 1 5   45 18 o 26.86380 9.164027 47.40720       28.89298 0.000000       0.000000 47.40720       28.89298 ?        ?        26.86380 9.164027 ?              ?        
1 1 1 5   45 19 o 18.63076 8.119513 8.527924       27.81001 0.000000       0.000000 8.527924       27.81001 ?        ?        18.63076 8.119513 ?              ?        
1 1 1 5   45 20 o 19.74925 8.372396 15.30577       28.05961 0.000000       0.000000 15.30577       28.05961 ?        ?        19.74925 8.372396 ?              ?        
1 1 1 5   45 21 o 23.49482 9.611547 33.12000       35.11345 0.000000       0.000000 33.12000       35.11345 ?        ?        23.49482 9.611547 ?              ?        
1 1 1 5   45 22 o 13.58935 6.574175 -30.15527      26.73548 0.000000       0.000000 -30.15527      26.73548 ?        ?        13.58935 6.574175 ?              ?        
1 1 1 5   46 0  o 54.24365 6.969962 168.6033       36.15290 0.000000       0.000000 168.6033       36.15290 ?        ?        54.24365 6.969962 ?              ?        
1 1 1 5   46 1  o 29.45067 6.993923 50.87023       19.85971 0.000000       0.000000 50.87023       19.85971 ?        ?        29.45067 6.993923 ?              ?        
1 1 1 5   46 2  o 24.12158 7.966793 35.14814       21.85057 0.000000       0.000000 35.14814       21.85057 ?        ?        24.12158 7.966793 ?              ?        
1 1 1 5   46 3  o 22.73721 7.578522 30.42926       19.76111 0.000000       0.000000 30.42926       19.76111 ?        ?        22.73721 7.578522 ?              ?        
1 1 1 5   46 4  o 29.57715 6.974112 51.22779       19.85988 0.000000       0.000000 51.22779       19.85988 ?        ?        29.57715 6.974112 ?              ?        
1 1 1 5   46 5  o 28.99961 7.131278 49.64727       20.09918 0.000000       0.000000 49.64727       20.09918 ?        ?        28.99961 7.131278 ?              ?        
1 1 1 5   46 6  o 27.89023 7.239371 46.22589       19.93356 0.000000       0.000000 46.22589       19.93356 ?        ?        27.89023 7.239371 ?              ?        
1 1 1 5   46 7  o 12.87101 5.983173 -11.05803      18.19420 0.000000       0.000000 -11.05803      18.19420 ?        ?        12.87101 5.983173 ?              ?        
1 1 1 5   46 8  o 21.52665 7.672669 26.44165       20.37865 0.000000       0.000000 26.44165       20.37865 ?        ?        21.52665 7.672669 ?              ?        
1 1 1 5   46 9  o 18.10518 7.303658 13.76745       19.94558 0.000000       0.000000 13.76745       19.94558 ?        ?        18.10518 7.303658 ?              ?        
1 1 1 5   46 10 o 14.97351 6.824737 -5.937421      22.08755 0.000000       0.000000 -5.937421      22.08755 ?        ?        14.97351 6.824737 ?              ?        
1 1 1 5   46 11 o 25.59198 8.773179 41.70628       26.48800 0.000000       0.000000 41.70628       26.48800 ?        ?        25.59198 8.773179 ?              ?        
1 1 1 5   46 12 o 19.30576 7.187150 19.72367       18.16146 0.000000       0.000000 19.72367       18.16146 ?        ?        19.30576 7.187150 ?              ?        
1 1 1 5   46 13 o 12.85714 5.917675 -8.004782      17.15790 0.000000       0.000000 -8.004782      17.15790 ?        ?        12.85714 5.917675 ?              ?        
1 1 1 5   46 14 o 27.39026 8.038424 47.14938       22.95542 0.000000       0.000000 47.14938       22.95542 ?        ?        27.39026 8.038424 ?              ?        
1 1 1 5   46 15 o 20.31668 7.290352 23.40708       18.43047 0.000000       0.000000 23.40708       18.43047 ?        ?        20.31668 7.290352 ?              ?        
1 1 1 5   46 16 o 16.53098 7.525562 -3.333759      26.75468 0.000000       0.000000 -3.333759      26.75468 ?        ?        16.53098 7.525562 ?              ?        
1 1 1 5   46 17 o 14.76635 6.979373 -17.20320      26.57279 0.000000       0.000000 -17.20320      26.57279 ?        ?        14.76635 6.979373 ?              ?        
1 1 1 5   46 18 o 14.48390 6.888967 -20.31413      26.68752 0.000000       0.000000 -20.31413      26.68752 ?        ?        14.48390 6.888967 ?              ?        
1 1 1 5   46 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 5   47 0  o 56.77033 4.236919 168.7549       23.37408 0.000000       0.000000 168.7549       23.37408 ?        ?        56.77033 4.236919 ?              ?        
1 1 1 5   47 1  o 21.33243 7.817736 26.13902       21.34185 0.000000       0.000000 26.13902       21.34185 ?        ?        21.33243 7.817736 ?              ?        
1 1 1 5   47 2  o 15.42958 6.711578 3.048380       18.92524 0.000000       0.000000 3.048380       18.92524 ?        ?        15.42958 6.711578 ?              ?        
1 1 1 5   47 3  o 14.07018 6.472497 -8.031222      20.48736 0.000000       0.000000 -8.031222      20.48736 ?        ?        14.07018 6.472497 ?              ?        
1 1 1 5   47 4  o 25.64011 7.503786 40.25514       20.02752 0.000000       0.000000 40.25514       20.02752 ?        ?        25.64011 7.503786 ?              ?        
1 1 1 5   47 5  o 25.54569 7.403876 39.81016       19.58228 0.000000       0.000000 39.81016       19.58228 ?        ?        25.54569 7.403876 ?              ?        
1 1 1 5   47 6  o 17.86314 7.138644 14.23438       18.86655 0.000000       0.000000 14.23438       18.86655 ?        ?        17.86314 7.138644 ?              ?        
1 1 1 5   47 7  o 18.27686 7.344021 15.05863       20.08122 0.000000       0.000000 15.05863       20.08122 ?        ?        18.27686 7.344021 ?              ?        
1 1 1 5   47 8  o 17.30700 6.980515 12.67176       18.21635 0.000000       0.000000 12.67176       18.21635 ?        ?        17.30700 6.980515 ?              ?        
1 1 1 5   47 9  o 17.84782 7.520749 11.13783       22.41809 0.000000       0.000000 11.13783       22.41809 ?        ?        17.84782 7.520749 ?              ?        
1 1 1 5   47 10 o 16.48557 7.203156 4.570975       22.00881 0.000000       0.000000 4.570975       22.00881 ?        ?        16.48557 7.203156 ?              ?        
1 1 1 5   47 11 o 13.77833 6.194021 -2.656027      17.45978 0.000000       0.000000 -2.656027      17.45978 ?        ?        13.77833 6.194021 ?              ?        
1 1 1 5   47 12 o 17.29583 7.078650 12.22521       19.05557 0.000000       0.000000 12.22521       19.05557 ?        ?        17.29583 7.078650 ?              ?        
1 1 1 5   47 13 o 23.73750 7.540413 34.87817       19.68714 0.000000       0.000000 34.87817       19.68714 ?        ?        23.73750 7.540413 ?              ?        
1 1 1 5   47 14 o 21.48426 9.889913 10.57000       47.94866 0.000000       0.000000 10.57000       47.94866 ?        ?        21.48426 9.889913 ?              ?        
1 1 1 5   48 0  o 15.50341 6.690322 4.809793       18.50549 0.000000       0.000000 4.809793       18.50549 ?        ?        15.50341 6.690322 ?              ?        
1 1 1 5   48 1  o 37.60902 5.716575 79.44868       20.38263 0.000000       0.000000 79.44868       20.38263 ?        ?        37.60902 5.716575 ?              ?        
1 1 1 5   48 2  o 19.49766 7.663310 19.97878       21.40528 0.000000       0.000000 19.97878       21.40528 ?        ?        19.49766 7.663310 ?              ?        
1 1 1 5   48 3  o 20.33467 7.445868 23.87819       19.35355 0.000000       0.000000 23.87819       19.35355 ?        ?        20.33467 7.445868 ?              ?        
1 1 1 5   48 4  o 22.48439 7.826940 31.23080       21.11377 0.000000       0.000000 31.23080       21.11377 ?        ?        22.48439 7.826940 ?              ?        
1 1 1 5   48 5  o 17.72712 7.334598 12.83292       20.75209 0.000000       0.000000 12.83292       20.75209 ?        ?        17.72712 7.334598 ?              ?        
1 1 1 5   48 6  o 24.52614 9.403935 40.87000       31.62554 0.000000       0.000000 40.87000       31.62554 ?        ?        24.52614 9.403935 ?              ?        
1 1 1 5   48 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  0  o 308.3867 8.400584 4672.221       253.1524 4672.221       253.1524 4672.221       253.1524 308.3867 8.400584 308.3867 8.400584 0.000000       0.000000 
1 1 1 6   0  1  o 225.8253 6.381210 2504.184       140.7981 2504.184       140.7981 2504.184       140.7981 225.8253 6.381210 225.8253 6.381210 0.000000       0.000000 
1 1 1 6   0  2  o 333.4883 9.027165 5465.663       294.1834 5465.663       294.1834 5465.663       294.1834 333.4883 9.027165 333.4883 9.027165 0.000000       0.000000 
1 1 1 6   0  3  o 103.0207 3.769286 521.7024       37.89367 521.7024       37.89367 521.7024       37.89367 103.0207 3.769286 103.0207 3.769286 0.000000       0.000000 
1 1 1 6   0  4  o 119.6945 4.064159 703.9052       47.49123 703.9052       47.49123 703.9052       47.49123 119.6945 4.064159 119.6945 4.064159 0.000000       0.000000 
1 1 1 6   0  5  o 351.3023 9.487934 6068.496       325.7183 6068.496       325.7183 6068.496       325.7183 351.3023 9.487934 351.3023 9.487934 0.000000       0.000000 
1 1 1 6   0  6  o 213.9394 6.121916 2247.863       127.9615 2247.863       127.9615 2247.863       127.9615 213.9394 6.121916 213.9394 6.121916 0.000000       0.000000 
1 1 1 6   0  7  o 206.5066 5.959222 2094.237       120.2293 2094.237       120.2293 2094.237       120.2293 206.5066 5.959222 206.5066 5.959222 0.000000       0.000000 
1 1 1 6   0  8  o 257.2627 7.171767 3250.488       180.2791 3250.488       180.2791 3250.488       180.2791 257.2627 7.171767 257.2627 7.171767 0.000000       0.000000 
1 1 1 6   0  9  o 250.2701 7.009228 3075.493       171.4014 3075.493       171.4014 3075.493       171.4014 250.2701 7.009228 250.2701 7.009228 0.000000       0.000000 
1 1 1 6   0  10 o 152.5027 4.814774 1142.040       71.70965 1142.040       71.70965 1142.040       71.70965 152.5027 4.814774 152.5027 4.814774 0.000000       0.000000 
1 1 1 6   0  11 o 239.4066 6.767691 2813.488       158.3060 2813.488       158.3060 2813.488       158.3060 239.4066 6.767691 239.4066 6.767691 0.000000       0.000000 
1 1 1 6   0  12 o 328.7538 8.945784 5306.252       287.3874 5306.252       287.3874 5306.252       287.3874 328.7538 8.945784 328.7538 8.945784 0.000000       0.000000 
1 1 1 6   0  13 o 65.85828 4.349950 215.0855       27.75671 215.0855       27.75671 215.0855       27.75671 65.85828 4.349950 65.85828 4.349950 0.000000       0.000000 
1 1 1 6   0  14 o 1118.897 42.29429 62840.00       4617.054 62840.00       4617.054 62840.00       4617.054 1118.897 42.29429 1118.897 42.29429 0.000000       0.000000 
1 1 1 6   0  15 o 159.3490 7.148746 1251.000       110.9903 1251.000       110.9903 1251.000       110.9903 159.3490 7.148746 159.3490 7.148746 0.000000       0.000000 
1 1 1 6   0  16 o 426.0400 11.41721 8917.748       475.3474 8917.748       475.3474 8917.748       475.3474 426.0400 11.41721 426.0400 11.41721 0.000000       0.000000 
1 1 1 6   0  17 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  18 o 301.9668 11.83613 4493.000       348.6214 4493.000       348.6214 4493.000       348.6214 301.9668 11.83613 301.9668 11.83613 0.000000       0.000000 
1 1 1 6   0  19 o 359.1468 13.85359 6363.000       485.3645 6363.000       485.3645 6363.000       485.3645 359.1468 13.85359 359.1468 13.85359 0.000000       0.000000 
1 1 1 6   0  20 o 420.0465 11.28016 8677.112       463.0314 8677.112       463.0314 8677.112       463.0314 420.0465 11.28016 420.0465 11.28016 0.000000       0.000000 
1 1 1 6   0  21 o 30.14321 9.426147 55.82936       24.39344 55.82936       24.39344 55.82936       24.39344 30.14321 9.426147 30.14321 9.426147 0.000000       0.000000 
1 1 1 6   0  22 o 250.0245 7.123318 3071.236       174.0096 3071.236       174.0096 3071.236       174.0096 250.0245 7.123318 250.0245 7.123318 0.000000       0.000000 
1 1 1 6   0  23 o 159.3769 5.216918 1248.234       81.18751 1248.234       81.18751 1248.234       81.18751 159.3769 5.216918 159.3769 5.216918 0.000000       0.000000 
1 1 1 6   0  24 f 149.8419 5.100940 1103.683       74.61845 1103.683       74.61845 1103.683       74.61845 149.8419 5.100940 149.8419 5.100940 0.000000       0.000000 
1 1 1 6   0  25 o 240.6219 6.930978 2845.962       162.9369 2845.962       162.9369 2845.962       162.9369 240.6219 6.930978 240.6219 6.930978 0.000000       0.000000 
1 1 1 6   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   0  28 f 435.4856 11.75207 9365.459       500.1252 9365.459       500.1252 9365.459       500.1252 435.4856 11.75207 435.4856 11.75207 0.000000       0.000000 
1 1 1 6   0  29 o 344.3139 9.463150 5842.646       318.3861 5842.646       318.3861 5842.646       318.3861 344.3139 9.463150 344.3139 9.463150 0.000000       0.000000 
1 1 1 6   0  30 o 108.8370 4.866370 583.9915       51.60610 583.9915       51.60610 583.9915       51.60610 108.8370 4.866370 108.8370 4.866370 0.000000       0.000000 
1 1 1 6   0  31 o 35.60627 9.315791 73.70145       28.05198 73.70145       28.05198 73.70145       28.05198 35.60627 9.315791 35.60627 9.315791 0.000000       0.000000 
1 1 1 6   0  32 o 224.2870 6.621260 2476.099       145.0752 2476.099       145.0752 2476.099       145.0752 224.2870 6.621260 224.2870 6.621260 0.000000       0.000000 
1 1 1 6   0  33 o 54.03437 5.903161 148.3222       30.27606 148.3222       30.27606 148.3222       30.27606 54.03437 5.903161 54.03437 5.903161 0.000000       0.000000 
1 1 1 6   0  34 o 30.35380 10.34053 58.77286       27.54815 58.77286       27.54815 58.77286       27.54815 30.35380 10.34053 30.35380 10.34053 0.000000       0.000000 
1 1 1 6   0  35 o 73.93037 5.068994 272.0167       36.27931 272.0167       36.27931 272.0167       36.27931 73.93037 5.068994 73.93037 5.068994 0.000000       0.000000 
1 1 1 6   0  36 o 85.94781 6.459025 369.6000       53.61612 369.6000       53.61612 369.6000       53.61612 85.94781 6.459025 85.94781 6.459025 0.000000       0.000000 
1 1 1 6   0  37 o 53.52006 6.089445 146.3344       30.83510 146.3344       30.83510 146.3344       30.83510 53.52006 6.089445 53.52006 6.089445 0.000000       0.000000 
1 1 1 6   0  38 o 20.20201 10.54571 29.72023       27.27264 29.72023       27.27264 29.72023       27.27264 20.20201 10.54571 20.20201 10.54571 0.000000       0.000000 
1 1 1 6   0  39 f 119.9306 7.457825 720.5000       86.76372 720.5000       86.76372 720.5000       86.76372 119.9306 7.457825 119.9306 7.457825 0.000000       0.000000 
1 1 1 6   0  40 o 67.36614 5.475100 228.1467       35.53632 228.1467       35.53632 228.1467       35.53632 67.36614 5.475100 67.36614 5.475100 0.000000       0.000000 
1 1 1 6   0  41 o 98.72963 4.890587 483.7989       46.99654 483.7989       46.99654 483.7989       46.99654 98.72963 4.890587 98.72963 4.890587 0.000000       0.000000 
1 1 1 6   0  42 o 78.33195 5.205534 306.8011       39.50215 306.8011       39.50215 306.8011       39.50215 78.33195 5.205534 78.33195 5.205534 0.000000       0.000000 
1 1 1 6   0  43 o 102.9247 4.956147 526.4329       49.66595 526.4329       49.66595 526.4329       49.66595 102.9247 4.956147 102.9247 4.956147 0.000000       0.000000 
1 1 1 6   0  44 o 74.52282 5.466736 279.1628       39.37326 279.1628       39.37326 279.1628       39.37326 74.52282 5.466736 74.52282 5.466736 0.000000       0.000000 
1 1 1 6   0  45 o 35.01955 10.25030 75.50596       30.51539 75.50596       30.51539 75.50596       30.51539 35.01955 10.25030 35.01955 10.25030 0.000000       0.000000 
1 1 1 6   0  46 o 33.45434 10.52490 71.05054       30.26473 71.05054       30.26473 71.05054       30.26473 33.45434 10.52490 33.45434 10.52490 0.000000       0.000000 
1 1 1 6   0  47 o 31.10172 10.99263 64.80267       30.40751 64.80267       30.40751 64.80267       30.40751 31.10172 10.99263 31.10172 10.99263 0.000000       0.000000 
1 1 1 6   0  48 o 25.52482 11.26803 48.61924       29.56533 48.61924       29.56533 48.61924       29.56533 25.52482 11.26803 25.52482 11.26803 0.000000       0.000000 
1 1 1 6   0  49 o 48.07303 7.303587 124.1190       32.01957 124.1190       32.01957 124.1190       32.01957 48.07303 7.303587 48.07303 7.303587 0.000000       0.000000 
1 1 1 6   0  50 o 36.23653 9.867028 80.23930       30.24925 80.23930       30.24925 80.23930       30.24925 36.23653 9.867028 36.23653 9.867028 0.000000       0.000000 
1 1 1 6   0  51 o 48.82650 8.628820 132.3000       37.39617 132.3000       37.39617 132.3000       37.39617 48.82650 8.628820 48.82650 8.628820 0.000000       0.000000 
1 1 1 6   0  52 o 22.67681 11.39727 40.85000       31.11716 40.85000       31.11716 40.85000       31.11716 22.67681 11.39727 22.67681 11.39727 0.000000       0.000000 
1 1 1 6   0  53 o 29.48596 14.69782 73.78000       51.53980 73.78000       51.53980 73.78000       51.53980 29.48596 14.69782 29.48596 14.69782 0.000000       0.000000 
1 1 1 6   0  54 o 21.40859 12.73190 34.07000       46.64913 34.07000       46.64913 34.07000       46.64913 21.40859 12.73190 21.40859 12.73190 0.000000       0.000000 
1 1 1 6   0  55 o 19.93647 10.23297 31.55910       25.38688 31.55910       25.38688 31.55910       25.38688 19.93647 10.23297 19.93647 10.23297 0.000000       0.000000 
1 1 1 6   0  56 o 46.96923 6.951626 119.1803       29.90618 119.1803       29.90618 119.1803       29.90618 46.96923 6.951626 46.96923 6.951626 0.000000       0.000000 
1 1 1 6   0  57 o 13.36469 8.600430 3.381862       25.84790 3.381862       25.84790 3.381862       25.84790 13.36469 8.600430 13.36469 8.600430 0.000000       0.000000 
1 1 1 6   0  58 o 13.94938 8.847182 6.469372       26.16552 6.469372       26.16552 6.469372       26.16552 13.94938 8.847182 13.94938 8.847182 0.000000       0.000000 
1 1 1 6   0  59 o 50.94133 6.687308 138.7589       31.75185 138.7589       31.75185 138.7589       31.75185 50.94133 6.687308 50.94133 6.687308 0.000000       0.000000 
1 1 1 6   0  60 o 22.61353 10.74188 40.69467       27.06357 40.69467       27.06357 40.69467       27.06357 22.61353 10.74188 22.61353 10.74188 0.000000       0.000000 
1 1 1 6   0  61 o 17.08396 9.867933 21.73661       26.67707 21.73661       26.67707 21.73661       26.67707 17.08396 9.867933 17.08396 9.867933 0.000000       0.000000 
1 1 1 6   0  62 o 21.91130 10.83077 39.42994       27.88161 39.42994       27.88161 39.42994       27.88161 21.91130 10.83077 21.91130 10.83077 0.000000       0.000000 
1 1 1 6   1  0  o 197.1833 4.020790 1904.329       77.60466 1916.744       110.2849 1892.152       109.2219 197.6681 5.705953 196.3964 5.687583 1.271698       8.056457 
1 1 1 6   1  1  o 160.6632 3.441145 1264.015       54.11599 1259.984       76.44252 1268.065       76.62092 160.2876 4.877919 160.8015 4.873630 -0.5139313     6.895387 
1 1 1 6   1  2  o 364.2234 6.908704 6507.875       246.3035 6468.139       347.2779 6548.094       349.3831 362.5471 9.795005 364.7828 9.793874 -2.235687      13.85143 
1 1 1 6   1  3  o 215.7123 4.329076 2279.579       91.40633 2304.634       130.1899 2255.221       128.3655 216.6996 6.144007 214.3640 6.124009 2.335617       8.674809 
1 1 1 6   1  4  o 256.8477 5.028090 3233.143       126.4110 3275.264       180.3051 3192.425       177.2777 258.2373 7.140028 254.9519 7.110727 3.285400       10.07683 
1 1 1 6   1  5  o 314.1739 6.026245 4840.736       185.3203 4886.224       263.7587 4796.387       260.4380 315.2025 8.556827 312.2945 8.527869 2.908081       12.08072 
1 1 1 6   1  6  o 140.6215 3.168599 968.3216       43.61393 997.8705       62.63714 940.5132       60.76431 142.6408 4.491835 138.4767 4.488901 4.164108       6.350339 
1 1 1 6   1  7  f 269.7262 5.259677 3565.653       138.8636 3637.267       198.9821 3497.663       193.8827 272.1225 7.477478 266.8513 7.429958 5.271179       10.54120 
1 1 1 6   1  8  o 226.2321 4.527543 2507.188       100.2589 2521.489       142.2660 2493.077       141.3138 226.6802 6.418280 225.3991 6.411620 1.281113       9.072111 
1 1 1 6   1  9  o 171.1024 3.650376 1433.518       61.13641 1436.589       86.62291 1430.471       86.29789 171.1648 5.176205 170.8001 5.167799 0.3646545      7.314318 
1 1 1 6   1  10 o 254.6204 5.014525 3175.372       124.9767 3210.655       178.0482 3141.105       175.4676 255.8333 7.116992 253.0472 7.091166 2.786148       10.04670 
1 1 1 6   1  11 o 585.7627 10.90720 16844.12       625.3759 16929.61       887.6784 16759.88       881.1876 586.1381 15.48567 583.1997 15.44997 2.938354       21.87481 
1 1 1 6   1  12 f 367.8674 8.072186 6633.223       290.6622 6296.000       485.1088 6822.091       363.0453 357.5927 13.88579 372.7868 9.958253 -15.19412      17.08748 
1 1 1 6   1  13 o 227.5056 5.294220 2534.803       117.8963 2601.000       206.5961 2502.836       143.5684 230.1234 9.190292 225.9359 6.498587 4.187561       11.25580 
1 1 1 6   1  14 o 303.8742 6.790268 4524.238       201.9701 4460.000       345.5549 4557.569       248.9131 301.1505 11.74521 304.7912 8.351194 -3.640717      14.41154 
1 1 1 6   1  15 o 948.8425 20.37158 44521.29       1892.017 44694.86       2323.840 44180.00       3258.633 947.8648 25.06888 934.6674 35.68376 13.19745       43.60939 
1 1 1 6   1  16 f 118.4070 3.661193 687.0682       42.38224 792.4000       75.24618 638.1246       51.29234 127.0365 6.068865 114.0617 4.603623 12.97483       7.617380 
1 1 1 6   1  17 o 43.05452 5.205900 92.11520       21.49423 157.1000       33.01323 44.29790       28.31878 56.29971 6.087370 29.91672 8.965932 26.38299       10.83716 
1 1 1 6   1  18 o 277.1035 6.286121 3762.746       170.5026 3749.885       208.1154 3789.000       297.3491 276.4364 7.698850 277.4991 10.96870 -1.062714      13.40092 
1 1 1 6   1  19 f 166.4323 5.321831 1358.464       86.58571 1374.000       122.5941 1343.000       122.3077 167.2125 7.509384 165.3052 7.579111 1.907242       10.66929 
1 1 1 6   1  20 o 282.5289 6.407204 3913.484       177.1894 4022.000       312.2160 3861.928       215.2033 285.6919 11.18642 280.4300 7.847754 5.261871       13.66467 
1 1 1 6   1  21 o 290.6272 5.684313 4140.335       161.7039 4157.480       229.0175 4123.289       228.3515 290.8869 8.051120 289.6859 8.061070 1.200958       11.39304 
1 1 1 6   1  22 f 275.8111 5.439749 3729.294       146.8577 3648.201       204.6011 3815.474       210.9194 272.4626 7.679416 278.6346 7.740986 -6.171967      10.90396 
1 1 1 6   1  23 o 429.2990 8.128094 9058.257       341.5504 9031.384       481.8954 9085.383       484.1632 427.5944 11.52420 428.8649 11.54410 -1.270508      16.31176 
1 1 1 6   1  24 o 115.7301 3.263858 656.5104       36.93600 636.4242       51.29277 678.1442       53.23198 113.8554 4.612072 117.5320 4.636210 -3.676620      6.539546 
1 1 1 6   1  25 o 269.2597 6.183725 3558.864       162.9775 3366.000       272.2469 3666.583       203.4627 260.8814 10.68399 272.9890 7.621820 -12.10767      13.12402 
1 1 1 6   1  26 o 236.4724 4.825390 2742.252       111.6912 2796.344       159.6905 2690.449       156.2754 238.4542 6.848855 233.8944 6.833299 4.559753       9.674750 
1 1 1 6   1  27 o 226.5594 6.627340 2524.519       146.8117 2524.519       146.8117 0.000000       0.000000 226.5594 6.627340 ?        ?        ?              ?        
1 1 1 6   1  28 o 158.4255 3.730129 1230.067       57.84356 1231.378       81.73438 1228.752       81.87209 158.3123 5.281927 158.1415 5.296598 0.1708221      7.480154 
1 1 1 6   1  29 o 82.19550 3.530069 331.6976       28.33504 318.7628       39.49292 345.4195       40.67692 80.43929 5.041199 83.75360 4.984334 -3.314308      7.089237 
1 1 1 6   1  30 o 329.9488 6.408282 5353.465       206.9638 5456.931       296.3125 5254.906       289.1991 332.1931 9.121463 325.9995 9.071856 6.193512       12.86467 
1 1 1 6   1  31 o 280.6588 5.563874 3870.486       152.8488 3823.629       214.2899 3919.015       218.0817 278.2913 7.874679 281.7309 7.916066 -3.439606      11.16578 
1 1 1 6   1  32 o 66.58200 3.666229 218.0388       23.80144 211.5242       32.79710 225.2873       34.59549 65.41553 5.163957 67.50858 5.277364 -2.093040      7.383564 
1 1 1 6   1  33 o 166.3171 3.827947 1357.040       62.31737 1378.319       88.72110 1336.318       87.55070 167.3276 5.424097 164.7535 5.436432 2.574097       7.679559 
1 1 1 6   1  34 o 136.3481 3.506073 912.5908       46.75368 913.2177       66.04265 911.9609       66.19700 136.1909 4.962458 136.0946 4.977641 0.9634399E-01  7.028719 
1 1 1 6   1  35 o 123.9305 3.919055 755.0587       47.48094 773.2252       59.20012 722.3000       79.49679 125.2682 4.837182 120.6743 6.757201 4.593956       8.310120 
1 1 1 6   1  36 o 92.98991 3.343635 425.0271       30.38459 430.8434       42.81213 419.1240       43.13023 93.43107 4.696389 92.13120 4.799199 1.299873       6.714788 
1 1 1 6   1  37 o 107.5620 4.804904 571.5919       50.46056 595.7000       68.67310 543.3000       74.39371 109.4080 6.441055 104.2078 7.340360 5.200226       9.765657 
1 1 1 6   1  38 f 78.74299 5.047365 307.6284       38.69812 341.6000       50.74184 260.4000       59.82877 82.68737 6.317150 71.42548 8.739423 11.26189       10.78350 
1 1 1 6   1  39 o 73.87700 3.603901 269.2651       25.98220 264.3545       36.57328 274.2686       36.91791 72.89331 5.159235 74.26540 5.109747 -1.372086      7.261351 
1 1 1 6   1  40 o 81.29021 4.285675 327.3757       33.98026 330.8000       63.39986 325.9955       40.24959 80.46307 8.162634 80.91299 5.108097 -0.4499207     9.629188 
1 1 1 6   1  41 o 94.25999 3.468857 438.4321       31.95057 464.2307       45.77520 413.9225       44.61693 96.62288 4.855546 91.17419 5.018802 5.448692       6.983173 
1 1 1 6   1  42 o 29.29443 7.046954 44.99514       19.95916 37.94573       28.07902 52.19464       28.37635 27.50897 9.028539 31.41393 8.851562 -3.904959      12.64376 
1 1 1 6   1  43 o 29.81754 6.986472 46.69799       20.03217 39.11716       28.16428 54.45963       28.49819 27.76743 9.037813 31.98218 8.818902 -4.214746      12.62755 
1 1 1 6   1  44 o 39.71658 5.741181 80.62226       21.67237 92.83154       30.98853 68.93326       30.32108 41.99458 7.826663 35.83434 8.726872 6.160236       11.72241 
1 1 1 6   1  45 o 51.35733 4.728137 132.5136       23.50174 132.8936       33.41081 132.1414       33.06485 50.70936 6.910860 50.58480 6.854084 0.1245613      9.733368 
1 1 1 6   1  46 o 28.53362 7.515912 43.48662       21.27942 24.45233       29.95940 62.86594       30.22971 24.21904 9.184925 33.94705 8.965887 -9.728010      12.83550 
1 1 1 6   1  47 o 105.3865 3.575593 551.7422       36.83069 529.8221       51.26535 575.1252       52.94834 102.4703 5.127455 106.8005 5.079483 -4.330193      7.217475 
1 1 1 6   1  48 o 14.23154 6.414882 -7.831722      18.86952 -29.40359      25.83296 16.84307       27.62848 14.22468 6.769110 21.84395 8.668439 -7.619276      10.99830 
1 1 1 6   1  49 o 19.58092 7.341771 16.22306       19.01946 7.230854       26.11295 26.38354       27.75748 19.47541 8.156060 23.90292 8.887847 -4.427511      12.06297 
1 1 1 6   1  50 o 78.19488 4.077099 307.0057       31.09804 282.1674       38.66633 352.5000       52.32996 74.27940 5.354046 82.20573 6.557750 -7.926331      8.465808 
1 1 1 6   1  51 o 50.05972 4.916079 128.0843       23.77835 145.9832       30.34102 99.59000       38.28206 52.96973 5.954919 41.70674 9.579454 11.26299       11.27950 
1 1 1 6   1  52 o 46.88814 5.795375 114.6771       26.03253 100.5828       29.35388 166.6000       56.34076 43.16871 7.200355 52.69581 11.26445 -9.527100      13.36910 
1 1 1 6   1  53 o 40.55862 7.429477 89.87492       28.40835 68.92000       33.42442 144.4000       53.91616 34.37456 9.578362 48.50913 11.52628 -14.13457      14.98666 
1 1 1 6   1  54 o 23.50909 7.235548 30.07604       18.27634 50.59370       25.58994 8.713910       26.11124 29.77611 8.411195 19.42841 8.147380 10.34770       11.71017 
1 1 1 6   1  55 o 41.95425 5.991058 93.43109       23.90497 123.4000       47.24561 83.11877       27.71431 44.70889 10.89679 38.65108 7.596475 6.057812       13.28331 
1 1 1 6   1  56 o 41.23097 6.345869 91.12724       24.79059 127.6000       50.77443 79.71111       28.40664 44.91346 11.50079 37.60631 7.965257 7.307144       13.98976 
1 1 1 6   1  57 o 26.40485 7.674775 39.20321       21.01426 31.75390       27.31303 50.01000       32.89727 24.52769 8.865465 29.21521 9.779006 -4.687523      13.19945 
1 1 1 6   1  58 o 25.68710 7.323353 36.86051       19.30898 43.42707       27.15602 30.14583       27.46058 27.51061 8.868218 24.12962 8.863739 3.380991       12.53839 
1 1 1 6   1  59 o 33.07055 6.485446 59.73563       20.24311 83.10555       28.86465 37.11643       28.39725 38.24577 7.969301 25.82698 9.071005 12.41879       12.07447 
1 1 1 6   1  60 o 31.95020 6.476415 55.94885       19.55989 54.48790       27.58173 57.42690       27.74268 30.41062 8.778902 31.22369 8.735919 -0.8130703     12.38489 
1 1 1 6   1  61 o 28.16917 7.035297 44.74026       19.33926 47.70019       26.71833 41.48296       28.02835 28.40306 8.749650 26.69858 9.026906 1.704481       12.57145 
1 1 1 6   1  62 o 18.30631 7.286870 12.98825       19.58111 22.37849       25.15558 -1.449000      31.19163 21.63003 8.362513 18.70369 8.353140 2.926346       11.81975 
1 1 1 6   2  0  o 87.96755 2.502539 379.1465       21.52623 391.4314       30.78179 367.3883       30.11455 89.33431 3.527148 86.54082 3.562696 2.793488       5.013340 
1 1 1 6   2  1  o 674.4712 12.57426 22442.40       830.1417 22498.37       1177.242 22387.06       1170.779 672.3453 17.90416 670.7131 17.84918 1.632202       25.28146 
1 1 1 6   2  2  o 361.7596 6.864727 6420.844       243.0802 6677.585       353.2288 6189.880       335.0276 368.3192 9.806458 354.6344 9.660470 13.68478       13.76558 
1 1 1 6   2  3  o 372.2511 7.053770 6800.034       257.0180 6853.994       365.7352 6747.386       361.2627 373.0847 10.02413 370.1798 9.979310 2.904907       14.14461 
1 1 1 6   2  4  o 427.2014 8.044211 8964.049       336.3740 8862.206       472.4818 9068.719       478.9944 423.8516 11.39881 428.7577 11.42350 -4.906097      16.13782 
1 1 1 6   2  5  o 214.3377 4.316857 2250.756       90.56750 2312.088       130.2655 2193.371       126.0043 217.0360 6.138014 211.3904 6.096040 5.645676       8.650834 
1 1 1 6   2  6  o 313.4880 6.018258 4819.133       184.6707 4789.935       260.1206 4848.804       262.2196 312.1151 8.522371 314.0258 8.538799 -1.910706      12.06407 
1 1 1 6   2  7  f 83.62508 2.544787 342.6804       20.80600 360.8932       30.01383 325.8317       28.86788 85.77019 3.582913 81.48709 3.628359 4.283096       5.099241 
1 1 1 6   2  8  o 504.0952 9.433246 12483.70       465.4574 12800.38       670.0175 12188.31       647.0931 509.2836 13.45243 496.9924 13.31380 12.29120       18.92684 
1 1 1 6   2  9  o 153.3671 3.387198 1151.639       50.84862 1142.682       71.75289 1160.675       72.06976 152.6628 4.807749 153.8622 4.791203 -1.199387      6.787494 
1 1 1 6   2  10 o 394.1246 7.452773 7614.577       287.5131 8016.504       421.3334 7264.319       393.3205 403.9113 10.66630 384.5114 10.46007 19.39990       14.93932 
1 1 1 6   2  11 o 470.6163 10.18928 10867.84       469.3716 10880.00       812.4702 10861.75       575.0394 469.3178 17.71800 470.0095 12.51040 -0.6916809     21.68958 
1 1 1 6   2  12 o 395.1869 8.634950 7656.674       334.0170 8281.000       610.1948 7389.564       399.1241 409.9499 15.23307 387.9271 10.52090 22.02280       18.51313 
1 1 1 6   2  13 o 362.1728 7.959158 6429.130       282.1559 6556.000       494.4149 6367.854       343.6032 364.9190 13.86691 360.1776 9.755160 4.741394       16.95448 
1 1 1 6   2  14 o 156.4477 3.558936 1198.251       54.49988 1167.815       76.57221 1229.499       77.58675 154.3402 5.075477 158.3714 5.011312 -4.031204      7.132581 
1 1 1 6   2  15 o 311.3779 6.027756 4749.535       183.7171 4703.899       258.4044 4796.182       261.2495 309.6186 8.534561 312.6422 8.544943 -3.023621      12.07703 
1 1 1 6   2  16 o 320.3020 8.748341 5035.105       274.0215 4856.000       377.3142 5235.000       398.6121 314.1187 12.29540 326.1333 12.50994 -12.01456      17.54068 
1 1 1 6   2  17 o 346.8718 9.413563 5908.055       319.3211 5648.000       436.9948 6206.000       467.7486 338.6023 13.21035 354.9104 13.48897 -16.30804      18.88029 
1 1 1 6   2  18 o 219.5669 5.201429 2361.514       111.7882 2313.000       189.3937 2387.452       138.4843 216.9318 8.938557 220.6259 6.419480 -3.694107      11.00489 
1 1 1 6   2  19 f 40.30927 4.704989 80.66877       18.21522 74.42346       23.98032 89.18702       28.00613 38.42199 6.614918 42.08348 7.047833 -3.661488      9.665873 
1 1 1 6   2  20 o 59.28967 4.345296 173.1054       25.04251 156.5000       42.22363 182.1161       31.10352 55.91941 7.936817 60.73538 5.284481 -4.815964      9.535135 
1 1 1 6   2  21 o 319.5998 7.146507 5011.808       223.5664 4838.000       377.5339 5105.673       277.4435 312.9830 12.34759 322.2482 8.804099 -9.265198      15.16493 
1 1 1 6   2  22 o 74.27264 3.744282 270.8841       27.13317 279.0576       33.53843 255.4000       46.16174 75.32748 4.570158 71.84430 6.639301 3.483185       8.060189 
1 1 1 6   2  23 o 399.8046 8.804429 7862.685       344.5523 7410.000       571.1553 8121.676       432.0143 385.9357 15.14877 405.6510 10.89011 -19.71530      18.65690 
1 1 1 6   2  24 o 321.9610 6.235567 5087.348       196.5103 5098.428       278.1031 5076.298       277.7125 321.7412 8.839028 321.0401 8.845941 0.7011108      12.50516 
1 1 1 6   2  25 f 214.4202 5.167292 2254.870       108.4514 2061.000       176.5027 2372.460       137.4613 204.3940 8.843127 219.7249 6.398201 -15.33090      10.91503 
1 1 1 6   2  26 o 202.4029 4.291130 2008.185       85.01482 1944.139       117.5901 2078.322       123.0541 198.9018 6.046868 205.6473 6.119985 -6.745499      8.603419 
1 1 1 6   2  27 o 129.8051 3.421392 826.1069       43.43321 823.7703       60.53460 828.5861       62.35344 129.5108 4.783419 129.8768 4.913676 -0.3660583     6.857500 
1 1 1 6   2  28 o 197.4432 4.881155 1912.491       94.33459 1879.528       114.0222 1984.000       167.9422 195.5293 5.964576 200.4215 8.580557 -4.892258      10.44998 
1 1 1 6   2  29 o 204.5771 4.359980 2052.438       87.30672 2010.498       121.2380 2097.615       125.8308 202.1841 6.133210 206.5057 6.232265 -4.321564      8.743992 
1 1 1 6   2  30 o 120.6576 3.447604 714.0746       40.67550 689.8871       55.79971 741.5010       59.41837 118.4687 4.822040 122.8131 4.952925 -4.344406      6.912563 
1 1 1 6   2  31 f 176.1022 3.952512 1520.849       68.13091 1483.738       94.39348 1561.207       98.43699 173.6806 5.559610 178.1467 5.652289 -4.466049      7.928281 
1 1 1 6   2  32 o 86.14005 3.378473 364.3102       28.43078 382.0567       39.73378 345.6919       40.69794 88.09676 4.623991 83.74567 4.987415 4.351082       6.801147 
1 1 1 6   2  33 o 116.8670 3.846572 670.7972       43.94202 661.0533       53.58636 690.8000       76.77726 115.9091 4.733093 118.1878 6.663714 -2.278748      8.173571 
1 1 1 6   2  34 o 114.5615 3.852665 644.8850       43.14075 609.3688       51.93913 723.9000       77.47054 111.2374 4.781375 120.9424 6.568786 -9.704948      8.124684 
1 1 1 6   2  35 o 51.60904 4.334468 131.8299       21.69402 132.1911       29.98709 131.4334       31.42323 51.40437 6.077125 51.19237 6.411247 0.2119980      8.833773 
1 1 1 6   2  36 o 230.8240 5.555507 2629.695       125.5194 2705.164       155.9745 2491.000       211.4461 233.5149 6.831245 222.5327 9.730849 10.98224       11.88930 
1 1 1 6   2  37 o 39.71181 6.418043 80.13116       24.09706 64.88229       27.69133 127.7000       48.90874 35.34066 8.168658 49.33698 10.45304 -13.99632      13.26624 
1 1 1 6   2  38 o 182.9719 4.734940 1653.763       84.73055 1684.000       145.8724 1638.367       104.0906 182.9853 8.164807 181.6721 5.861187 1.313141       10.05075 
1 1 1 6   2  39 o 24.73731 7.930350 30.22433       21.73669 54.93000       33.25386 11.79331       28.72225 32.55457 9.706227 21.75064 8.767940 10.80392       13.08005 
1 1 1 6   2  40 o 95.14769 3.508318 446.5223       32.61813 485.3976       46.84120 409.9247       45.44833 98.86502 4.855227 90.75463 5.137123 8.110390       7.068469 
1 1 1 6   2  41 o 99.08991 4.107956 486.0556       39.75745 565.6000       75.13729 455.1248       46.85394 105.6477 7.310991 95.60980 5.024169 10.03788       8.870900 
1 1 1 6   2  42 o 110.7902 3.476682 605.9793       37.65603 607.2021       52.99472 604.7322       53.51645 110.4266 4.915213 110.1783 4.975161 0.2483521      6.993679 
1 1 1 6   2  43 o 67.96124 3.833855 229.0661       25.40028 228.9604       35.53423 229.1765       36.32156 67.50468 5.423429 67.49686 5.546510 0.7820129E-02  7.757406 
1 1 1 6   2  44 f 89.30405 3.524561 394.6171       30.74884 419.3183       43.85054 370.7217       43.12928 91.59853 4.908731 86.02301 5.145657 5.575516       7.111500 
1 1 1 6   2  45 o 35.19569 6.287753 64.31775       20.86664 75.07368       29.26040 53.18700       29.76585 37.47590 8.204683 31.47483 9.129978 6.001066       12.27491 
1 1 1 6   2  46 o 45.97501 5.056642 107.1569       22.38044 112.1851       31.10406 101.7591       32.22727 46.32141 7.084900 43.78411 7.806016 2.537304       10.54181 
1 1 1 6   2  47 o 87.46552 3.604282 380.3678       30.79147 372.7787       42.69092 388.5968       44.45399 85.91794 5.099214 87.67216 5.203563 -1.754219      7.285537 
1 1 1 6   2  48 o 62.06716 4.172099 193.4119       25.19954 201.0758       34.80742 184.9707       36.53000 62.59974 5.744578 59.72005 6.346241 2.879681       8.560080 
1 1 1 6   2  49 o 16.10206 6.949895 0.1737199      19.97625 -9.740964      25.94078 14.62000       31.31278 16.62200 7.504245 22.18229 9.075759 -5.560291      11.77638 
1 1 1 6   2  50 o 34.11697 6.660209 62.25963       21.44306 77.85929       27.68048 38.85000       33.90886 37.75262 7.750467 27.42701 9.882765 10.32561       12.55941 
1 1 1 6   2  51 o 28.46490 8.069084 44.81900       23.50857 40.73991       26.20137 61.66000       53.23858 27.27542 8.702885 33.04154 12.30446 -5.766119      15.07116 
1 1 1 6   2  52 o 36.92551 6.888636 73.53448       23.98248 72.10748       26.84290 79.18000       53.39104 36.11021 7.821120 35.86581 12.44865 0.2443924      14.70166 
1 1 1 6   2  53 o 30.70233 6.493462 50.93239       18.90383 55.27581       26.29300 46.28480       27.19806 31.24588 8.411686 28.63705 8.828936 2.608829       12.19453 
1 1 1 6   2  54 o 38.15258 6.024438 77.39664       21.75229 59.27000       32.63441 91.88837       29.17947 31.71372 9.651157 40.76108 7.592808 -9.047363      12.27988 
1 1 1 6   2  55 o 58.66467 4.601437 176.1412       26.21134 184.0000       43.39394 171.6267       32.88916 57.65319 7.896824 57.06536 5.976632 0.5878220      9.903532 
1 1 1 6   2  56 o 60.48007 4.815508 187.9803       28.27237 178.0000       55.58949 191.4627       32.83637 53.97573 10.89764 60.53903 5.604953 -6.563301      12.25455 
1 1 1 6   2  57 o 22.49619 7.337041 27.25753       18.55668 34.69049       26.22235 19.80099       26.26391 25.17503 8.724911 21.60225 8.489164 3.572779       12.17333 
1 1 1 6   2  58 o 25.82054 7.727221 37.44957       21.04582 61.48605       26.23030 -5.987000      35.26108 32.72207 8.205347 19.47300 8.774040 13.24907       12.01297 
1 1 1 6   2  59 o 36.55726 5.727341 71.15738       19.82178 69.40457       26.89938 73.24005       29.32143 34.81717 8.053349 35.48499 8.544550 -0.6678200     11.74163 
1 1 1 6   2  60 o 35.38861 5.859814 67.13393       19.58829 85.58910       27.38840 47.80857       28.02667 39.11250 7.425433 28.52350 8.988813 10.58900       11.65915 
1 1 1 6   2  61 o 49.00558 4.949625 125.1748       23.41730 113.3342       29.59529 145.0000       38.29539 45.37349 6.879135 50.47442 8.019110 -5.100933      10.56544 
1 1 1 6   2  62 o 25.67160 8.203836 38.24173       23.27558 26.11460       26.40567 80.49000       49.28589 22.66501 8.616584 34.12146 11.95288 -11.45645      14.73488 
1 1 1 6   3  0  o 416.7258 7.850743 8527.170       320.2340 8805.231       463.3943 8272.988       443.0489 422.5999 11.21241 409.6606 11.05907 12.93927       15.74869 
1 1 1 6   3  1  o 431.0557 8.110221 9125.923       342.1939 9581.146       500.7308 8727.037       468.7237 440.7098 11.61781 420.6576 11.39415 20.05222       16.27268 
1 1 1 6   3  2  o 357.9033 7.863744 6290.312       275.4871 6389.156       341.4582 6106.000       466.2711 360.2616 9.691882 351.1940 13.58957 9.067535       16.69158 
1 1 1 6   3  3  o 377.1099 7.148735 6979.960       263.8781 6983.793       373.8902 6976.157       372.4738 376.5330 10.15387 376.3348 10.12068 0.1981201      14.33629 
1 1 1 6   3  4  o 178.6283 3.737252 1562.859       65.34449 1565.584       92.53383 1560.148       92.28880 178.6347 5.297959 178.3244 5.293134 0.3102722      7.489035 
1 1 1 6   3  5  o 263.9008 5.159280 3413.426       133.2711 3413.466       188.8222 3413.385       188.1274 263.6068 7.325066 263.6073 7.298045 -0.4882813E-03 10.34012 
1 1 1 6   3  6  o 382.1184 7.235882 7165.411       270.6423 7290.843       387.5131 7045.966       378.1507 384.7832 10.29804 378.2786 10.22222 6.504578       14.51011 
1 1 1 6   3  7  o 293.2726 5.667874 4215.611       162.7039 4160.101       228.1610 4273.047       232.0852 291.0110 8.017515 294.9340 8.046785 -3.922943      11.35919 
1 1 1 6   3  8  o 166.3840 3.573488 1355.546       58.19826 1360.130       82.56714 1351.020       82.04488 166.5463 5.070749 165.9881 5.055626 0.5582428      7.160436 
1 1 1 6   3  9  o 132.5012 3.103946 859.5101       40.25689 868.7886       57.36982 850.5096       56.50374 133.1205 4.408916 131.7122 4.388863 1.408356       6.220985 
1 1 1 6   3  10 o 363.6954 7.974976 6484.948       283.9052 6570.000       495.5055 6443.381       346.4022 365.1693 13.88802 362.2389 9.778603 2.930389       16.98523 
1 1 1 6   3  11 o 106.8904 3.270729 559.8513       34.18048 617.0000       59.73323 532.0288       41.67838 112.1073 5.459891 104.1612 4.095871 7.946129       6.825436 
1 1 1 6   3  12 o 245.5622 4.905642 2952.861       117.9135 2929.775       166.5310 2976.071       166.9797 244.4318 6.967460 246.3595 6.931386 -1.927673      9.828002 
1 1 1 6   3  13 o 707.4964 13.13387 24597.58       909.5430 25173.08       1308.075 24058.89       1265.554 713.9876 18.73317 698.0614 18.53811 15.92621       26.35513 
1 1 1 6   3  14 o 178.9910 3.867970 1568.549       67.76733 1578.945       96.45131 1558.414       95.23522 179.4655 5.497095 178.2957 5.463405 1.169876       7.750280 
1 1 1 6   3  15 o 494.0367 10.68794 11980.25       516.8441 12200.00       905.6048 11874.10       629.4175 496.7222 18.65914 491.3105 13.09979 5.411682       22.79842 
1 1 1 6   3  16 o 197.7667 4.786404 1915.380       92.65499 1779.000       151.7435 1996.455       116.9979 190.3080 8.165041 201.7883 5.929899 -11.48026      10.09116 
1 1 1 6   3  17 o 262.5062 6.007802 3376.138       154.3695 3469.000       269.9667 3331.025       188.1668 265.6065 10.40414 260.5712 7.384967 5.035278       12.75868 
1 1 1 6   3  18 o 201.6541 5.966731 1994.283       117.6445 2033.000       166.8461 1956.000       165.9069 203.4000 8.398354 199.4927 8.515917 3.907257       11.96048 
1 1 1 6   3  19 o 461.8686 10.04741 10481.57       454.2329 11010.00       813.6143 10242.28       547.5022 471.1108 17.67503 455.9613 12.27855 15.14954       21.52137 
1 1 1 6   3  20 o 167.7241 3.747023 1377.656       61.51600 1384.944       86.19539 1370.090       87.82092 168.0348 5.247001 167.1212 5.375583 0.9136200      7.511851 
1 1 1 6   3  21 o 262.1672 5.215211 3368.528       133.8309 3456.252       191.9103 3285.478       186.7271 265.2692 7.398261 258.6293 7.383600 6.639893       10.45236 
1 1 1 6   3  22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   3  23 o 299.4285 6.758495 4401.347       198.0840 4457.000       344.7957 4373.929       242.0065 300.1684 11.75795 298.1503 8.300581 2.018158       14.39267 
1 1 1 6   3  24 o 217.3713 4.507710 2315.920       95.91011 2266.974       133.0634 2368.845       138.3668 214.8146 6.335242 219.5780 6.444765 -4.763336      9.037162 
1 1 1 6   3  25 o 231.0026 4.722381 2616.305       106.7785 2654.189       151.6031 2579.010       150.4192 232.3671 6.672327 229.0432 6.716590 3.323883       9.467446 
1 1 1 6   3  26 o 137.1072 4.845515 923.0601       64.92669 906.7000       89.77605 941.0000       94.01066 135.6700 6.781872 138.1935 6.972506 -2.523453      9.726748 
1 1 1 6   3  27 o 69.21600 4.038959 235.6298       27.24527 248.8279       33.29903 208.9000       47.38853 71.06345 4.815617 64.71431 7.627469 6.349136       9.020446 
1 1 1 6   3  28 o 216.1370 4.515677 2291.034       95.53405 2280.300       133.9616 2302.141       136.2793 215.3185 6.363112 216.3346 6.442908 -1.016129      9.055400 
1 1 1 6   3  29 o 134.0388 3.520283 881.0837       46.14644 907.7831       64.62192 853.3016       65.91927 135.9321 4.864658 131.7569 5.121070 4.175262       7.063303 
1 1 1 6   3  30 o 245.5158 5.771598 2961.804       138.7017 3033.958       171.8588 2827.000       234.9050 248.1412 7.082902 238.6942 10.07679 9.446976       12.31703 
1 1 1 6   3  31 o 229.1249 4.722654 2576.853       105.9167 2594.246       149.6702 2559.403       149.9078 229.4689 6.670624 227.9086 6.727179 1.560349       9.473762 
1 1 1 6   3  32 o 163.9310 4.375906 1319.892       70.15305 1285.770       84.09201 1398.000       127.2274 161.6590 5.321584 168.0881 7.753698 -6.429077      9.404206 
1 1 1 6   3  33 o 74.35370 3.929704 272.0281       28.49862 281.4235       34.62607 252.3000       50.17505 75.54414 4.706070 71.11447 7.312225 4.429672       8.695730 
1 1 1 6   3  34 o 135.7467 3.523030 904.6636       46.77184 890.1074       64.77824 920.5170       67.60287 134.4487 4.930632 136.7070 5.060793 -2.258270      7.065604 
1 1 1 6   3  35 o 109.6543 3.903950 591.3283       41.83529 607.5942       50.71796 556.7000       74.00089 111.0386 4.676868 105.7752 7.190120 5.263367       8.577350 
1 1 1 6   3  36 o 103.5917 3.897543 528.1813       39.45000 539.4940       47.37651 502.6000       71.24315 104.5747 4.639947 100.3349 7.304145 4.239723       8.653302 
1 1 1 6   3  37 o 128.6038 3.472376 813.3022       43.67059 819.4531       60.95865 806.8171       62.59284 128.8012 4.843771 127.7607 5.014938 1.040520       6.972211 
1 1 1 6   3  38 o 105.9697 3.423501 552.6971       35.46404 579.1217       49.90610 525.7416       50.40507 108.2044 4.723350 103.0175 5.013756 5.186874       6.888235 
1 1 1 6   3  39 o 114.4385 3.964080 646.2745       44.33683 699.1000       74.03204 616.7318       55.36335 118.2515 6.420054 111.4911 5.086527 6.760376       8.190840 
1 1 1 6   3  40 o 62.95881 4.364701 196.8669       26.73131 203.6000       40.92952 191.8587       35.29973 63.42188 6.693995 61.77473 5.909837 1.647144       8.929486 
1 1 1 6   3  41 o 51.08001 4.492606 130.1657       22.23374 127.0802       29.91327 133.9744       33.23491 50.02835 6.244169 51.22239 6.796245 -1.194038      9.229225 
1 1 1 6   3  42 o 27.82283 8.607739 39.89679       25.82585 -74.74000      50.59821 80.28326       30.03247 18.70998 9.049636 39.01395 8.128531 -20.30397      12.16425 
1 1 1 6   3  43 o 81.97634 4.398814 334.2759       35.16714 392.2000       67.62681 312.8064       41.17183 87.25999 8.006846 78.98412 5.357123 8.275871       9.633709 
1 1 1 6   3  44 o 57.22197 4.183352 163.2473       23.26924 191.0041       32.79185 135.0949       33.02473 61.52734 5.502959 51.25310 6.746499 10.27424       8.706193 
1 1 1 6   3  45 o 73.24866 3.822111 266.5139       27.30890 267.1579       38.03909 265.8288       39.22964 72.81876 5.374674 72.56191 5.565799 0.2568436      7.737263 
1 1 1 6   3  46 o 76.31392 3.797104 289.7110       28.27458 291.4944       39.37361 287.8121       40.62851 75.95983 5.329416 75.37970 5.545245 0.5801315      7.691061 
1 1 1 6   3  47 o 36.50055 6.128320 69.52954       21.11991 60.18745       28.66869 80.61673       31.23177 33.08674 8.727867 38.40765 8.529598 -5.320908      12.20368 
1 1 1 6   3  48 o 53.38092 4.846552 144.6051       25.04784 130.9691       31.43959 168.3000       41.44398 50.04240 6.577579 56.17455 7.743039 -6.132149      10.15969 
1 1 1 6   3  49 o 58.84840 4.462626 174.9099       25.51418 173.2425       32.24898 177.7000       41.71669 57.97885 5.758538 57.71449 7.566516 0.2643585      9.508572 
1 1 1 6   3  50 o 17.78495 7.560588 3.663794       22.99025 5.589428       25.74754 -3.910000      51.06291 18.99835 8.035493 23.86987 10.67211 -4.871521      13.35901 
1 1 1 6   3  51 o 31.58966 6.557422 53.58624       19.61170 68.40750       26.62637 36.01070       28.99503 35.18843 7.921961 26.20843 9.168902 8.979998       12.11719 
1 1 1 6   3  52 o 42.30133 5.047956 92.23484       20.48943 91.65513       27.81396 92.92272       30.29799 41.17055 7.161854 41.10642 7.815624 0.6412888E-01  10.60076 
1 1 1 6   3  53 o 32.35575 6.254086 56.12677       19.09041 51.65117       26.57369 60.90004       27.44314 30.15594 8.589225 32.73843 8.492474 -2.582487      12.07878 
1 1 1 6   3  54 o 62.20139 4.288885 196.5653       25.95277 235.8000       42.22499 172.7449       32.90096 66.58543 6.563911 57.33257 5.949119 9.252861       8.858722 
1 1 1 6   3  55 o 42.01997 5.498802 92.62277       22.07461 66.31000       33.05907 113.7945       29.65417 33.37902 9.603584 45.87729 6.809961 -12.49827      11.77304 
1 1 1 6   3  56 o 40.77541 5.629029 87.63538       21.86793 84.46000       32.44422 90.27888       29.60260 38.14065 8.860196 40.15314 7.813159 -2.012497      11.81307 
1 1 1 6   3  57 o 26.94732 8.330153 41.28707       24.19271 72.83000       46.77104 29.76468       28.26815 33.85236 11.65603 24.14607 8.970952 9.706284       14.70854 
1 1 1 6   3  58 o 30.70279 6.609357 51.71780       19.27449 63.25396       26.16159 38.02195       28.50547 33.24414 8.112451 26.13418 9.094570 7.109968       12.18700 
1 1 1 6   3  59 o 36.64455 7.010844 74.18143       24.23109 87.69137       27.78719 31.30000       49.50539 39.65455 7.431881 26.84933 11.23609 12.80522       13.47154 
1 1 1 6   3  60 o 37.12410 6.186360 74.46870       21.68937 61.71469       27.37654 95.97000       35.54573 32.45624 8.513353 40.13434 9.239603 -7.678101      12.56374 
1 1 1 6   3  61 o 21.56232 8.020781 23.26286       22.61016 28.82270       25.77361 4.693000       47.10298 23.34813 8.585395 22.87373 10.23666 0.4743996      13.36032 
1 1 1 6   3  62 o 28.61380 6.953122 46.33089       19.28039 32.68357       26.73590 61.11823       27.83018 24.26888 8.771384 31.90644 8.681684 -7.637562      12.34135 
1 1 1 6   4  0  o 292.3622 5.647255 4190.816       161.6087 4231.944       230.4560 4151.021       226.6891 293.4156 8.031696 290.6032 7.976916 2.812378       11.31987 
1 1 1 6   4  1  f 288.5240 5.579837 4081.381       157.5831 4213.310       227.7670 3960.247       218.2500 292.7767 7.955191 283.8558 7.862647 8.920898       11.18509 
1 1 1 6   4  2  o 345.2980 6.590451 5849.739       222.7488 5974.748       320.0209 5732.257       310.2357 348.4008 9.392675 341.2724 9.295851 7.128418       13.21496 
1 1 1 6   4  3  o 401.0473 10.75658 7928.112       421.8750 8448.000       623.4553 7489.000       572.9786 412.4437 15.47052 388.4305 15.09895 24.01318       21.61748 
1 1 1 6   4  4  f 181.1824 3.784800 1607.856       67.12206 1622.058       95.63001 1594.064       94.23519 181.8295 5.378997 180.2549 5.346877 1.574600       7.584373 
1 1 1 6   4  5  f 273.1985 5.318933 3658.176       142.2359 3585.708       198.6551 3734.405       203.7452 270.1795 7.519063 275.7239 7.556427 -5.544403      10.66001 
1 1 1 6   4  6  o 359.2249 6.829365 6329.282       240.1336 6111.577       331.7231 6568.967       348.0665 352.4858 9.623530 365.4251 9.739688 -12.93930      13.69211 
1 1 1 6   4  7  o 289.3197 5.600785 4101.882       158.6109 4134.146       225.6562 4070.377       222.9871 290.1605 7.952661 287.9162 7.919907 2.244293       11.22362 
1 1 1 6   4  8  o 454.6431 8.533433 10141.47       379.7525 9999.505       531.7648 10289.23       542.4984 450.7304 12.06388 457.2033 12.13296 -6.472839      17.10983 
1 1 1 6   4  9  o 278.7689 6.253998 3807.659       170.6508 3814.000       295.1328 3804.474       209.1608 278.4747 10.84818 278.4666 7.680969 0.8087158E-02  13.29212 
1 1 1 6   4  10 o 138.0729 3.670651 934.0029       49.56470 944.6000       84.93315 928.5303       61.03571 138.7163 6.271454 137.6294 4.536914 1.086914       7.740460 
1 1 1 6   4  11 o 112.4920 2.999335 619.8982       32.99630 626.7657       47.95043 613.7214       45.47551 113.0573 4.341056 111.8818 4.159765 1.175514       6.012355 
1 1 1 6   4  12 o 473.8230 8.883558 11008.04       412.0114 11040.04       584.0079 10976.34       581.3454 473.9034 12.60109 472.5369 12.57995 1.366516       17.80569 
1 1 1 6   4  13 o 176.0778 4.400817 1518.056       75.84800 1582.668       95.71462 1409.000       124.3509 179.6812 5.448431 169.3935 7.518469 10.28764       9.285084 
1 1 1 6   4  14 o 211.8456 5.018686 2197.804       104.0676 2349.000       185.2812 2128.122       125.7830 218.7035 8.672239 208.3352 6.174936 10.36826       10.64601 
1 1 1 6   4  15 o 433.2285 9.427285 9207.138       399.7697 9447.000       703.6632 9092.819       485.7815 437.4883 16.46143 430.1262 11.54867 7.362152       20.10847 
1 1 1 6   4  16 o 427.6328 8.073728 8966.326       337.9491 8893.000       669.3633 8991.412       391.5125 424.4174 16.14191 428.0977 9.343219 -3.680267      18.65092 
1 1 1 6   4  17 o 707.8526 13.15885 24653.00       911.7318 24500.00       1813.342 24704.76       1054.747 699.5245 26.53130 707.9617 15.22062 -8.437256      30.58721 
1 1 1 6   4  18 f 433.9260 9.462982 9244.365       401.9295 9674.000       717.3582 9047.778       485.2489 442.1482 16.60483 428.7995 11.57181 13.34866       20.23925 
1 1 1 6   4  19 o 157.4915 4.202087 1215.659       64.72024 1128.000       104.5319 1270.151       82.41697 151.4972 7.068659 160.9226 5.239294 -9.425339      8.798644 
1 1 1 6   4  20 f 210.8175 5.064739 2177.756       104.5129 2103.000       174.7016 2219.422       130.4260 206.7517 8.651720 212.6649 6.272447 -5.913254      10.68625 
1 1 1 6   4  21 o 94.25175 4.723697 436.3741       43.44014 0.000000       0.000000 436.3741       43.44014 ?        ?        94.25175 4.723697 ?              ?        
1 1 1 6   4  22 o 156.5395 3.620299 1200.253       55.47209 1222.041       77.64057 1177.534       79.28400 157.8149 5.032572 154.8948 5.236816 2.920074       7.262990 
1 1 1 6   4  23 o 211.7418 5.105807 2198.193       105.8223 2179.000       180.5149 2208.242       130.6209 210.2666 8.790134 212.0336 6.300628 -1.767059      10.81501 
1 1 1 6   4  24 o 146.7602 4.122676 1056.290       59.16476 1032.000       98.97002 1069.797       73.80450 144.7800 7.004537 147.6152 5.115669 -2.835190      8.673731 
1 1 1 6   4  25 o 200.9760 4.259283 1979.779       83.78897 2020.582       118.6761 1939.224       118.3157 202.8007 5.984983 198.6586 6.091752 4.142105       8.539875 
1 1 1 6   4  26 o 124.9729 3.932652 766.1940       48.04703 740.1000       80.04991 780.8882       60.07081 122.5446 6.699085 126.0871 4.876478 -3.542496      8.285998 
1 1 1 6   4  27 o 158.4216 3.703155 1229.928       57.42385 1264.153       81.13696 1195.580       81.28242 160.4270 5.173726 155.9929 5.331192 4.434067       7.428933 
1 1 1 6   4  28 o 206.0312 4.370897 2081.592       88.14746 2080.213       123.6477 2083.017       125.6962 205.6747 6.148749 205.7976 6.247106 -0.1228943     8.765469 
1 1 1 6   4  29 o 127.1437 3.454263 792.7897       42.94909 841.8414       60.81678 743.9875       60.66190 130.9034 4.754317 123.0188 5.048496 7.884605       6.934756 
1 1 1 6   4  30 o 145.6938 3.595255 1040.498       51.27164 1059.984       71.54996 1019.932       73.50775 146.8617 4.984535 144.0276 5.222770 2.834076       7.219620 
1 1 1 6   4  31 o 197.7569 5.980268 1924.818       115.6270 1924.818       115.6270 0.000000       0.000000 197.7569 5.980268 ?        ?        ?              ?        
1 1 1 6   4  32 o 155.3304 4.259251 1184.985       64.69723 1099.684       75.48860 1421.000       125.5673 149.5058 5.166189 169.4876 7.588138 -19.98183      9.179833 
1 1 1 6   4  33 o 87.84283 3.348025 378.9305       28.73462 410.0570       39.83238 345.1559       41.49221 91.26759 4.472372 83.63791 5.092374 7.629684       6.777491 
1 1 1 6   4  34 o 231.7725 5.528961 2645.456       125.4329 2688.165       154.5408 2563.000       214.7289 233.1773 6.778163 226.4785 9.708836 6.698761       11.84082 
1 1 1 6   4  35 o 128.9865 3.975583 818.1483       50.13403 814.9858       60.33744 825.2000       90.09934 128.5968 4.801908 128.8574 7.171708 -0.2605743     8.630858 
1 1 1 6   4  36 o 167.1966 3.868500 1374.093       63.31057 1457.346       91.23854 1296.780       87.92283 171.7420 5.434287 161.9606 5.554298 9.781387       7.770566 
1 1 1 6   4  37 o 92.66537 3.373233 422.4549       30.54533 443.1900       42.50342 400.3075       43.92697 94.70647 4.598732 89.91508 5.010877 4.791382       6.801267 
1 1 1 6   4  38 o 121.6524 3.472498 728.4083       41.30704 737.9902       57.74355 718.3660       59.11454 122.1273 4.840000 120.4389 5.025470 1.688438       6.977174 
1 1 1 6   4  39 o 126.6409 3.510836 790.0289       43.47821 835.7316       62.10653 746.1041       60.88659 129.8626 4.894686 122.6312 5.083435 7.231453       7.056859 
1 1 1 6   4  40 o 112.0883 3.470309 619.4720       38.02866 609.4667       52.92522 630.1514       54.67894 110.7745 4.893162 112.6153 4.972660 -1.840775      6.976417 
1 1 1 6   4  41 o 80.78401 3.992155 323.1869       31.46963 332.6000       49.28562 316.7074       40.89042 81.27685 6.242877 79.62027 5.276533 1.656578       8.174064 
1 1 1 6   4  42 o 85.31977 3.524494 359.7731       29.37085 361.2716       40.76044 358.1548       42.35898 85.10890 4.913692 84.66696 5.135376 0.4419403      7.107493 
1 1 1 6   4  43 o 101.2505 4.222670 508.9242       41.75764 515.2000       75.79092 506.1888       50.03716 100.2034 7.788432 100.6545 5.095280 -0.4511490     9.307070 
1 1 1 6   4  44 o 68.74805 4.913142 236.8145       32.84381 239.4000       63.76910 235.8810       38.31681 66.77141 10.06978 68.30820 5.785086 -1.536797      11.61326 
1 1 1 6   4  45 o 69.10696 3.980247 237.6724       26.81001 244.4864       37.16221 230.2768       38.71563 69.57735 5.501407 67.34332 5.933980 2.234039       8.091823 
1 1 1 6   4  46 o 49.41018 4.743192 123.1915       22.65857 116.9582       30.80705 130.5371       33.44313 47.37983 6.840631 50.02114 7.023645 -2.641319      9.804378 
1 1 1 6   4  47 o 41.09533 5.898539 87.43530       23.04782 74.14118       28.59224 112.1000       38.94543 36.93214 8.129939 45.12530 9.131062 -8.193161      12.22588 
1 1 1 6   4  48 o 41.54037 5.690885 89.27393       22.53198 85.50944       28.48234 95.57000       36.83470 39.85314 7.578300 41.32120 9.328767 -1.468060      12.01901 
1 1 1 6   4  49 o 44.15200 6.300755 102.1897       26.45858 115.2455       30.68856 64.38000       52.22475 46.62346 6.935461 33.75904 12.25104 12.86442       14.07795 
1 1 1 6   4  50 o 102.3986 3.500863 522.7079       35.03775 595.7715       50.69971 455.9109       48.47672 108.4805 4.786503 94.54274 5.259127 13.93771       7.111190 
1 1 1 6   4  51 o 32.06437 6.474406 55.09982       19.61944 19.85018       26.01548 101.5856       29.87544 21.92681 8.496903 43.40329 7.290312 -21.47648      11.19580 
1 1 1 6   4  52 o 55.75454 4.152163 157.1447       22.49736 162.1282       30.77262 151.4228       32.97343 55.86565 5.707586 53.57326 6.415376 2.292389       8.586826 
1 1 1 6   4  53 o 50.07432 4.392098 127.6248       21.30971 123.6092       28.73706 132.5305       31.76253 48.37208 6.212604 49.83525 6.679402 -1.463169      9.121999 
1 1 1 6   4  54 o 63.46087 3.761686 202.8703       23.26173 190.8418       31.72471 216.8569       34.20977 60.64053 5.401230 64.62811 5.458821 -3.987579      7.679324 
1 1 1 6   4  55 o 36.93950 5.495419 71.84702       19.26578 65.05127       26.40450 79.58373       28.17328 33.83301 8.083921 37.61893 7.902829 -3.785923      11.30507 
1 1 1 6   4  56 o 38.16109 5.750811 77.18255       20.81446 52.98000       30.61656 97.98180       28.38243 30.02869 9.385328 42.29995 7.106689 -12.27127      11.77240 
1 1 1 6   4  57 o 18.58325 7.280084 13.51253       19.26417 -0.9389000E-01 27.84642 26.00145       26.67841 18.30026 8.046059 23.06063 8.684853 -4.760363      11.83916 
1 1 1 6   4  58 o 35.15527 7.729915 69.72597       25.87376 54.99000       47.88945 75.80068       30.74776 30.51512 11.60326 36.03851 8.795099 -5.523394      14.55986 
1 1 1 6   4  59 o 42.44866 5.616315 95.25646       22.76372 68.48859       28.20214 145.3000       38.56108 34.33513 8.449713 50.80804 8.019445 -16.47290      11.64943 
1 1 1 6   4  60 o 25.43217 8.093675 36.70263       22.67340 37.77898       25.83941 33.10000       47.27324 25.78396 8.667166 26.68821 11.05875 -0.9042511     14.05047 
1 1 1 6   4  61 o 42.97463 5.049226 96.82275       20.83471 101.5521       28.97416 91.75896       29.98111 42.65852 7.194717 39.98266 7.940784 2.675858       10.71541 
1 1 1 6   4  62 o 29.84463 6.801075 50.12548       19.42368 61.36835       27.87901 39.52017       27.07699 31.93249 8.689516 25.98643 8.871216 5.946056       12.41798 
1 1 1 6   5  0  o 132.6253 3.065411 861.2988       39.79433 882.7949       57.16504 841.0876       55.43040 134.1640 4.358780 130.9548 4.330299 3.209183       6.144139 
1 1 1 6   5  1  o 202.3407 4.127813 2005.619       81.75408 2068.766       117.9225 1947.178       113.4430 205.3197 5.873629 199.1942 5.824540 6.125519       8.271927 
1 1 1 6   5  2  o 266.2462 5.206532 3474.408       135.6870 3603.696       196.4790 3356.529       187.6090 270.8495 7.418071 261.3994 7.339611 9.450134       10.43540 
1 1 1 6   5  3  o 277.8188 5.406419 3783.248       147.0204 3785.316       208.4362 3781.201       207.4041 277.5737 7.679027 277.4273 7.644977 0.1463318      10.83573 
1 1 1 6   5  4  o 190.5422 3.940550 1778.237       73.49438 1698.481       101.3449 1866.708       106.7382 186.0664 5.570794 195.0691 5.595956 -9.002747      7.896105 
1 1 1 6   5  5  o 374.8283 7.108861 6891.891       260.8186 6649.813       360.1485 7158.875       378.2213 367.6367 10.01755 381.4346 10.13923 -13.79794      14.25326 
1 1 1 6   5  6  o 207.9931 4.228117 2118.767       86.07999 2087.325       120.8913 2151.103       122.5976 206.2834 5.993566 209.4143 5.987085 -3.130875      8.471601 
1 1 1 6   5  7  o 148.9230 3.321991 1085.838       48.42464 1122.360       69.94306 1052.214       67.11032 151.3036 4.728492 146.4968 4.686128 4.806824       6.657209 
1 1 1 6   5  8  o 344.9976 7.590492 5835.118       256.3257 5468.000       423.8958 6046.731       321.8309 333.1661 13.02355 350.9159 9.377953 -17.74976      16.04864 
1 1 1 6   5  9  o 247.4101 5.639359 2998.264       136.5694 2810.000       225.9191 3106.679       171.4402 239.1310 9.671811 251.6929 6.965517 -12.56189      11.91899 
1 1 1 6   5  10 o 312.7950 6.029366 4792.619       184.6025 4887.126       265.3696 4704.002       256.9679 315.6059 8.598141 309.6422 8.486376 5.963745       12.08084 
1 1 1 6   5  11 o 352.8181 6.730034 6098.689       232.4205 6157.545       331.0926 6041.509       326.3432 354.1983 9.558591 350.8476 9.511539 3.350739       13.48466 
1 1 1 6   5  12 o 74.29799 3.235988 270.7452       23.47726 284.1813       30.34192 250.7000       37.06060 76.07597 4.089673 71.34753 5.345596 4.728439       6.730588 
1 1 1 6   5  13 o 221.1918 5.161897 2396.070       111.7595 2390.000       191.4745 2399.207       137.6374 220.5916 8.885985 221.2076 6.363292 -0.6160431     10.92942 
1 1 1 6   5  14 o 176.7094 3.824234 1528.828       66.14704 1645.000       134.4090 1491.700       75.98563 183.0484 7.517635 174.4821 4.452760 8.566284       8.737387 
1 1 1 6   5  15 o 438.0225 8.253266 9407.482       353.8576 9690.000       720.1696 9317.567       406.2844 442.9922 16.63815 435.7905 9.524586 7.201660       19.17148 
1 1 1 6   5  16 o 415.0714 7.845677 8447.012       318.7568 8869.000       657.4451 8317.330       364.4593 423.8459 15.87499 411.7514 9.042899 12.09442       18.26991 
1 1 1 6   5  17 o 233.5387 5.447486 2671.857       124.5263 2736.000       216.6555 2640.214       152.1736 235.9146 9.401114 231.9973 6.708207 3.917313       11.54907 
1 1 1 6   5  18 o 269.1383 5.326425 3548.875       140.3193 3665.000       283.3489 3511.144       161.5151 272.8683 10.62903 267.6552 6.164973 5.213043       12.28752 
1 1 1 6   5  19 o 255.0896 5.879375 3189.401       146.8014 3031.000       243.5426 3279.799       183.9821 248.1192 10.04865 258.4752 7.279193 -10.35596      12.40814 
1 1 1 6   5  20 o 327.0338 7.296717 5248.023       233.5750 5154.000       398.0245 5297.410       288.4689 323.0147 12.61295 328.2264 8.987278 -5.211700      15.48734 
1 1 1 6   5  21 o 232.1181 5.455781 2641.333       123.9573 2546.000       207.3236 2694.373       154.6420 227.3347 9.336884 234.2363 6.751816 -6.901520      11.52234 
1 1 1 6   5  22 o 132.4614 3.815852 860.2391       49.42360 834.5184       58.82146 922.0000       91.14891 130.4107 4.615319 136.8822 6.824491 -6.471466      8.238618 
1 1 1 6   5  23 o 205.0601 4.310012 2060.662       86.50991 2015.441       119.3992 2110.637       125.5169 202.5820 6.028059 207.2958 6.192883 -4.713760      8.642296 
1 1 1 6   5  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   5  25 o 175.6732 5.555814 1515.857       95.41421 1396.000       127.2117 1670.000       144.2633 168.2856 7.743542 184.0459 8.027292 -15.76039      11.15347 
1 1 1 6   5  26 o 179.7306 3.961013 1583.249       69.68423 1530.136       95.29759 1644.283       102.1563 176.4840 5.523386 182.9309 5.712213 -6.446945      7.945890 
1 1 1 6   5  27 o 230.1191 4.723032 2597.367       106.3848 2578.644       148.7109 2616.994       152.2533 228.9481 6.642919 230.6262 6.751803 -1.678055      9.471811 
1 1 1 6   5  28 o 151.7514 3.648309 1128.621       54.19142 1148.911       75.73167 1107.328       77.57818 152.9273 5.066244 150.1057 5.288290 2.821640       7.323444 
1 1 1 6   5  29 o 293.0604 5.771025 4219.161       165.5451 4254.981       234.4049 4183.516       233.8283 293.6391 8.163346 291.1462 8.213230 2.492950       11.58004 
1 1 1 6   5  30 o 193.4048 4.814144 1836.011       91.13653 1945.186       114.3599 1646.000       150.8695 198.8438 5.882110 182.3769 8.474505 16.46692       10.31583 
1 1 1 6   5  31 o 223.3383 5.342003 2450.724       116.7814 2482.988       143.3285 2387.000       201.4275 224.4951 6.529520 219.3286 9.404324 5.166489       11.44884 
1 1 1 6   5  32 o 182.1146 5.644198 1632.823       100.4913 1632.823       100.4913 0.000000       0.000000 182.1146 5.644198 ?        ?        ?              ?        
1 1 1 6   5  33 o 236.5761 5.602658 2754.648       129.7392 2859.934       161.7927 2565.000       217.1447 240.6170 6.876572 226.7755 9.805607 13.84152       11.97653 
1 1 1 6   5  34 o 57.34483 4.430178 162.5641       24.67422 139.3940       28.00731 242.9000       52.15092 52.92093 5.486263 69.58350 7.790410 -16.66257      9.528357 
1 1 1 6   5  35 o 87.68839 3.363950 377.9400       28.81985 412.9697       39.90725 339.7577       41.66435 91.52278 4.468183 82.88597 5.161044 8.636810       6.826495 
1 1 1 6   5  36 o 63.78301 3.730735 200.6151       23.19025 208.6451       31.33732 190.8941       34.47931 64.86578 4.973536 61.88663 5.757931 2.979149       7.608537 
1 1 1 6   5  37 f 49.31251 4.415434 120.7761       21.08730 114.9452       28.19136 128.1827       31.77271 47.75970 6.174801 50.37899 6.601856 -2.619289      9.039507 
1 1 1 6   5  38 o 93.37458 3.461819 429.4126       31.58542 479.1185       44.76236 380.1214       44.57529 98.39260 4.661018 87.48393 5.229332 10.90867       7.005070 
1 1 1 6   5  39 o 56.32954 4.152662 157.4061       22.73553 192.3883       31.11554 117.3361       33.30144 62.09422 5.166166 47.83889 7.346203 14.25532       8.980867 
1 1 1 6   5  40 o 20.16087 7.343789 17.05103       18.79023 31.71674       24.90658 -2.323244      28.62696 25.51748 8.508235 19.11322 8.284608 6.404266       11.87539 
1 1 1 6   5  41 o 135.3442 3.609296 904.2101       47.77280 957.0200       67.99445 852.7260       67.13562 138.6974 5.016662 130.8085 5.254063 7.888870       7.264440 
1 1 1 6   5  42 o 83.35049 4.031737 344.4830       32.79567 426.3000       53.60565 295.5407       41.46017 92.05392 5.981639 76.73143 5.557829 15.32249       8.165138 
1 1 1 6   5  43 o 113.8188 3.991261 642.0500       44.39743 693.3000       73.26865 612.3134       55.81075 117.1386 6.414649 110.6817 5.165774 6.456818       8.236075 
1 1 1 6   5  44 o 23.83587 8.744777 24.89186       26.71495 22.27000       53.52058 25.76188       30.83038 28.58672 11.79864 24.83516 9.339883 3.751558       15.04796 
1 1 1 6   5  45 o 80.09384 4.655780 321.0122       36.34307 372.1000       70.62914 302.6141       42.38490 84.05209 8.710915 77.36233 5.635917 6.689758       10.37514 
1 1 1 6   5  46 o 67.57597 4.196990 228.3232       27.62406 243.2859       34.14994 200.0000       46.98455 69.43636 5.059258 61.54839 7.987059 7.887974       9.454586 
1 1 1 6   5  47 o 58.06874 4.214529 169.2767       23.79204 181.8263       31.63765 152.9416       36.09537 59.69213 5.475729 54.01242 6.991189 5.679718       8.880334 
1 1 1 6   5  48 o 24.06879 8.144814 29.59751       22.81843 34.51408       25.18047 7.018000       53.96224 25.68553 8.554660 25.87849 11.29367 -0.1929607     14.16790 
1 1 1 6   5  49 o 68.37355 3.871108 234.1879       25.80191 292.1039       36.35873 175.4318       36.62150 75.86359 4.922896 57.87540 6.581272 17.98819       8.218762 
1 1 1 6   5  50 o 48.10289 4.537089 117.5162       21.11028 142.1895       28.96778 89.57253       30.82785 52.40971 5.740540 40.36816 8.083988 12.04155       9.914871 
1 1 1 6   5  51 o 21.23476 7.300559 22.62255       18.34576 7.015190       24.05046 44.34159       28.37129 18.70349 7.829688 28.25903 9.060225 -9.555548      11.97463 
1 1 1 6   5  52 o 18.36460 7.031549 13.61714       17.66488 3.924509       23.79099 25.52660       26.37168 17.97858 7.668598 23.20499 8.656350 -5.226406      11.56459 
1 1 1 6   5  53 o 32.93922 7.717600 60.52762       24.44502 28.35000       47.15905 72.34995       28.58509 26.73635 11.05896 35.76477 8.322330 -9.028421      13.84058 
1 1 1 6   5  54 o 18.59806 7.043570 14.83638       17.60410 7.740036       23.47598 23.95342       26.60929 18.50348 7.740061 22.69724 8.644773 -4.193758      11.60348 
1 1 1 6   5  55 o 23.72602 7.124552 30.86992       17.86822 23.78398       24.08444 39.54501       26.64862 22.20760 8.274780 26.54934 8.799251 -4.341734      12.07886 
1 1 1 6   5  56 o 39.71355 5.045655 82.11509       19.17166 96.29387       26.36951 66.21679       27.92275 42.21816 6.596826 33.88233 8.448696 8.335835       10.71908 
1 1 1 6   5  57 o 31.89318 6.835349 56.06133       20.69701 55.26000       30.55019 56.74113       28.13832 30.57179 9.344658 31.15115 8.827074 -0.5793629     12.85457 
1 1 1 6   5  58 o 19.76766 7.700997 16.22482       21.45810 -4.317000      27.75078 46.77000       33.83974 17.62454 7.874530 28.40797 9.907580 -10.78343      12.65576 
1 1 1 6   5  59 o 23.02248 9.389652 21.11802       33.38579 1.416000       46.49437 42.09000       47.96945 22.67295 10.15680 28.23963 11.34949 -5.566685      15.23061 
1 1 1 6   5  60 o 55.61960 6.569781 167.3595       35.07769 140.5000       54.05327 186.9000       46.10426 46.03670 11.90685 57.08252 8.511233 -11.04581      14.63606 
1 1 1 6   5  61 o 26.88740 7.103682 40.99726       18.97241 22.62221       26.26201 61.05590       27.43875 21.91949 8.525112 32.03704 8.579104 -10.11756      12.09457 
1 1 1 6   5  62 o 35.10984 6.000770 67.15789       19.88225 64.11942       28.24460 70.14240       27.99259 32.58580 8.694379 34.32692 8.400601 -1.741116      12.08976 
1 1 1 6   6  0  o 177.6737 3.738347 1546.041       65.01431 1572.372       93.04655 1520.921       90.87998 179.0390 5.315296 176.0856 5.278723 2.953430       7.491147 
1 1 1 6   6  1  o 208.0020 4.225168 2119.276       86.02363 2169.145       123.5640 2072.373       119.8333 210.2566 6.010104 205.5132 5.963362 4.743347       8.466583 
1 1 1 6   6  2  o 58.00304 3.065120 165.1882       17.34044 155.1896       21.40099 184.3000       29.58785 56.15446 3.918109 61.12724 4.988407 -4.972778      6.343168 
1 1 1 6   6  3  o 309.8796 8.439820 4718.079       255.7572 4536.000       352.2851 4921.000       371.9022 303.2494 11.89134 315.8424 12.05174 -12.59302      16.93069 
1 1 1 6   6  4  o 373.9171 7.088661 6856.804       259.4453 6925.831       369.8341 6789.916       364.0563 375.2670 10.07752 371.5744 10.01874 3.692566       14.21026 
1 1 1 6   6  5  o 235.4821 4.688330 2716.101       108.0643 2689.852       152.0164 2742.916       153.6487 234.1520 6.639340 236.4517 6.645249 -2.299652      9.393624 
1 1 1 6   6  6  o 572.8833 10.67550 16122.44       598.6331 15889.25       838.1439 16365.29       855.3072 567.4705 15.10273 575.8883 15.18647 -8.417786      21.41778 
1 1 1 6   6  7  o 154.2906 3.915955 1166.346       59.09246 1317.000       108.7109 1103.163       70.40172 163.7918 6.795465 150.0081 4.800892 13.78372       8.320271 
1 1 1 6   6  8  o 368.7174 8.073576 6664.923       291.3841 6764.000       509.0709 6616.647       355.3527 370.5521 14.06085 367.0919 9.898631 3.460144       17.19565 
1 1 1 6   6  9  o 710.7640 13.19541 24828.02       918.0248 24558.31       1289.770 25104.97       1306.967 705.1697 18.70235 712.9659 18.74418 -7.796204      26.47871 
1 1 1 6   6  10 o 546.3334 10.18857 14643.58       544.8500 14246.26       755.5545 15074.05       786.4420 538.0384 14.35935 553.4235 14.53044 -15.38513      20.42852 
1 1 1 6   6  11 o 289.3859 6.495297 4102.654       183.9851 4312.029       233.3974 3759.000       299.0157 296.4902 8.049732 276.5184 11.06987 19.97177       13.68722 
1 1 1 6   6  12 o 401.4230 8.753387 7901.223       343.9416 7980.000       598.5889 7862.396       420.2388 402.3746 15.22566 400.1036 10.74015 2.271027       18.63254 
1 1 1 6   6  13 o 152.9489 3.478445 1145.255       52.07600 1136.000       99.84579 1148.713       61.03524 152.1178 6.722292 153.1167 4.076039 -0.9988861     7.861508 
1 1 1 6   6  14 o 324.1177 6.248441 5146.758       198.2352 5263.000       398.4052 5108.510       228.5335 327.0161 12.46941 322.8542 7.231647 4.161957       14.41468 
1 1 1 6   6  15 o 194.7538 4.119399 1857.195       78.52827 1959.000       157.7373 1823.649       90.54675 199.7205 8.085453 192.9704 4.793756 6.750061       9.399715 
1 1 1 6   6  16 o 272.4310 5.363928 3635.597       143.0361 3667.000       284.5127 3624.976       165.4673 273.0406 10.66607 271.9913 6.215141 1.049286       12.34476 
1 1 1 6   6  17 o 256.7235 5.904841 3229.535       148.3816 3300.000       256.9721 3194.290       181.7411 259.0019 10.15592 255.1339 7.284901 3.867981       12.49850 
1 1 1 6   6  18 o 475.6258 10.33869 11119.51       481.3235 0.000000       0.000000 11119.51       481.3235 ?        ?        475.6258 10.33869 ?              ?        
1 1 1 6   6  19 o 248.3309 4.984436 3021.583       121.1583 3087.000       242.0946 2999.724       139.9443 250.3912 9.897286 247.3824 5.779367 3.008865       11.46112 
1 1 1 6   6  20 o 325.8604 7.269986 5211.256       231.8843 5094.000       392.9129 5273.923       287.2411 321.0625 12.52664 327.4563 8.970081 -6.393738      15.40711 
1 1 1 6   6  21 o 217.5944 5.191689 2320.982       110.5764 2202.000       182.0082 2390.591       139.2137 211.4425 8.813448 220.6429 6.452868 -9.200378      10.92320 
1 1 1 6   6  22 o 161.1907 4.267519 1274.062       67.27278 1252.000       110.9378 1286.893       84.60290 159.5134 7.123169 161.9128 5.345564 -2.399460      8.905874 
1 1 1 6   6  23 o 186.4277 4.671921 1704.751       85.18635 1674.000       142.0557 1722.018       106.4499 184.3582 7.890340 187.2566 5.814713 -2.898453      9.801446 
1 1 1 6   6  24 f 186.2926 4.032534 1700.725       73.53262 1738.000       103.3764 1662.550       104.6163 188.1243 5.620275 183.9693 5.816929 4.154999       8.088520 
1 1 1 6   6  25 o 164.3595 4.388650 1325.278       70.54128 1369.000       120.6161 1302.550       86.96478 166.6855 7.411198 162.8354 5.463915 3.850159       9.207618 
1 1 1 6   6  26 o 160.8350 4.348030 1269.194       68.38811 1375.000       120.3787 1218.772       83.10077 167.0250 7.381353 157.4973 5.398438 9.527710       9.144808 
1 1 1 6   6  27 o 321.2414 6.243084 5070.455       196.3075 5172.320       280.3433 4972.453       274.9761 323.6919 8.856465 317.3705 8.860279 6.321411       12.52763 
1 1 1 6   6  28 o 171.1233 4.475115 1437.209       74.89397 1475.872       91.95000 1361.000       129.0935 173.2973 5.427371 166.0091 7.967757 7.288254       9.640617 
1 1 1 6   6  29 o 108.2820 4.555740 576.2402       48.17815 605.4000       65.91787 542.8000       70.59023 110.8135 6.100751 104.7954 6.920443 6.018044       9.225600 
1 1 1 6   6  30 o 140.4003 4.017973 967.5526       55.16131 931.4695       65.34695 1057.000       102.8863 137.6623 4.857190 146.2940 7.207152 -8.631683      8.691107 
1 1 1 6   6  31 o 92.80003 3.322656 422.6804       30.13272 425.9684       40.45360 418.5824       45.16239 93.05557 4.454217 92.17913 5.024388 0.8764420      6.714500 
1 1 1 6   6  32 o 316.5231 7.149330 4944.186       221.5016 5018.125       273.4173 4803.000       377.8216 318.0923 8.789886 309.1111 12.51309 8.981201       15.29181 
1 1 1 6   6  33 o 170.8767 5.417571 1438.362       90.49914 1438.362       90.49914 0.000000       0.000000 170.8767 5.417571 ?        ?        ?              ?        
1 1 1 6   6  34 o 103.8414 3.292681 529.5469       33.42543 535.4591       45.51483 522.6254       49.24682 104.2706 4.469868 102.9457 4.901321 1.324913       6.633451 
1 1 1 6   6  35 o 162.9338 3.786749 1304.194       60.39263 1293.891       83.64220 1315.416       87.29073 161.9153 5.284617 163.2089 5.471829 -1.293610      7.607109 
1 1 1 6   6  36 o 46.59772 4.417009 107.8637       19.90594 111.0157       25.60649 103.0497       31.64533 47.05881 5.673419 44.92686 7.457458 2.131950       9.370239 
1 1 1 6   6  37 o 34.68376 5.592664 61.01186       18.34114 45.18699       23.26879 86.97490       29.80448 29.53268 7.896739 41.07915 7.695014 -11.54647      11.02596 
1 1 1 6   6  38 o 87.76762 3.379425 379.3990       28.97818 395.9177       39.46078 360.0640       42.69239 89.44035 4.522072 85.14156 5.146780 4.298790       6.851166 
1 1 1 6   6  39 o 129.3756 3.513965 824.8508       44.45839 863.7407       62.59169 785.2521       63.15948 131.9844 4.853199 125.7359 5.142692 6.248466       7.071126 
1 1 1 6   6  40 o 70.62738 3.676306 246.6355       25.32756 236.8586       33.46299 259.7486       38.75379 68.91257 4.994795 72.03110 5.539029 -3.118523      7.458473 
1 1 1 6   6  41 o 43.15378 4.945216 93.68445       20.51175 100.3152       26.60197 83.96168       32.21263 44.31511 6.310902 39.83223 8.519794 4.482872       10.60256 
1 1 1 6   6  42 o 88.72401 3.490984 389.0709       30.25846 385.4126       40.90205 393.4933       44.97057 87.93391 4.769923 88.70254 5.202317 -0.7686234     7.058064 
1 1 1 6   6  43 o 48.22890 5.033599 117.1417       23.41311 102.4000       32.45777 133.1333       33.80561 44.19641 7.787227 50.83196 6.978304 -6.635544      10.45646 
1 1 1 6   6  44 o 29.53103 7.356604 46.23110       21.18549 40.68000       28.53610 53.04802       31.62270 28.08782 9.093885 31.50053 9.482251 -3.412706      13.13818 
1 1 1 6   6  45 o 39.18462 5.945869 79.14795       22.09020 80.96394       26.63890 75.15000       39.52555 39.20941 7.206443 36.78500 10.47464 2.424416       12.71420 
1 1 1 6   6  46 o 79.09719 4.574307 313.9093       35.26436 367.5000       66.78452 293.1904       41.52537 83.36621 8.294171 75.95696 5.625133 7.409248       10.02175 
1 1 1 6   6  47 o 48.67695 5.617299 121.7613       26.27401 121.9228       29.30709 121.1000       59.30532 48.40440 6.337680 44.61294 12.87110 3.791466       14.34682 
1 1 1 6   6  48 o 67.31989 3.821250 226.6652       25.07656 243.5739       33.72776 205.7645       37.49839 69.27036 5.008136 63.06224 6.153047 6.208115       7.933562 
1 1 1 6   6  49 o 66.03707 3.880571 218.5602       24.97303 235.3408       33.78722 198.3541       37.07582 67.95634 5.117035 61.77637 6.215839 6.179962       8.051131 
1 1 1 6   6  50 o 65.91051 3.818540 217.7796       24.52984 221.1553       33.28484 213.7666       36.29061 65.75709 5.213927 64.30080 5.829231 1.456291       7.820804 
1 1 1 6   6  51 o 21.22142 7.205621 22.83822       17.86047 20.85492       23.92033 25.33705       26.84977 21.70521 8.212729 23.29901 8.725755 -1.593800      11.98281 
1 1 1 6   6  52 o 31.44419 7.920578 55.26624       24.36215 48.29000       50.54572 57.37728       27.80494 30.30361 11.81541 31.75047 8.693559 -1.446859      14.66908 
1 1 1 6   6  53 o 34.66700 5.693389 63.48764       18.64931 60.79693       24.54461 67.16268       28.68500 32.98056 7.737394 34.27878 8.572212 -1.298214      11.54773 
1 1 1 6   6  54 o 26.16601 6.953652 37.80639       18.11214 45.78569       24.24950 27.73823       27.23927 28.38914 8.242348 23.65473 8.802773 4.734406       12.05923 
1 1 1 6   6  55 o 28.33130 6.842734 44.27540       18.76052 32.31146       25.34391 58.77755       27.90312 24.55493 8.573461 31.85502 8.703509 -7.300093      12.21701 
1 1 1 6   6  56 o 56.37114 4.073447 161.3413       22.32472 134.4797       30.20123 193.7003       33.14796 50.21042 6.282141 60.83179 5.630879 -10.62137      8.436356 
1 1 1 6   6  57 o 49.42269 4.912578 126.3374       23.45093 104.7095       28.73174 169.5000       40.58905 43.82022 6.928645 55.32403 7.703993 -11.50381      10.36135 
1 1 1 6   6  58 o 17.48824 7.365995 6.079309       21.48993 -0.3208319     24.15672 30.36000       47.05153 17.13477 7.515080 26.52069 11.01486 -9.385929      13.33430 
1 1 1 6   6  59 f 40.75377 5.786033 88.30927       22.43306 94.54000       34.10638 83.55842       29.78182 40.16228 8.909081 38.16589 8.215473 1.996395       12.11882 
1 1 1 6   6  60 o 24.18344 7.762413 32.76402       20.82116 -0.6007000     31.15092 59.70645       27.99275 18.96502 8.416099 31.73522 8.736254 -12.77019      12.13066 
1 1 1 6   6  61 o 18.61317 8.468429 -7.573206      33.81570 -40.73000      48.49357 23.81000       47.17876 19.01101 9.108762 25.06054 10.74671 -6.049540      14.08763 
1 1 1 6   7  0  o 492.4634 9.221515 11909.22       444.5109 12364.95       645.6982 11498.68       612.8537 500.7513 13.18497 482.9369 12.97639 17.81439       18.49947 
1 1 1 6   7  1  o 263.5305 5.164590 3402.426       133.2211 3454.350       190.4267 3352.651       186.4427 265.2927 7.340299 261.3599 7.295000 3.932800       10.34877 
1 1 1 6   7  2  o 369.6672 7.017128 6700.371       253.9081 6776.750       361.7612 6626.215       356.4581 371.2888 9.963148 367.1446 9.928049 4.144196       14.06522 
1 1 1 6   7  3  o 236.2650 5.444210 2734.825       125.9043 2927.296       160.9159 2431.000       202.1754 244.2774 6.736347 222.3382 9.310441 21.93919       11.49185 
1 1 1 6   7  4  o 176.1554 3.735674 1519.380       64.41266 1457.212       89.37894 1586.556       92.91014 172.3928 5.303061 179.8893 5.282291 -7.496414      7.484989 
1 1 1 6   7  5  o 368.8112 8.084657 6670.076       291.8582 6385.000       489.2101 6827.610       363.6654 359.8931 13.91344 372.8195 9.974417 -12.92642      17.11937 
1 1 1 6   7  6  o 291.6391 6.511847 4167.450       185.8901 4025.000       314.0561 4244.271       230.6298 286.0661 11.23778 294.1184 8.018487 -8.052277      13.80521 
1 1 1 6   7  7  o 71.70074 3.578330 252.3149       25.03431 234.2000       36.26842 268.8000       34.59833 68.93834 5.418308 73.93257 4.807001 -4.994232      7.243295 
1 1 1 6   7  8  o 393.2047 7.435972 7576.795       286.1954 7464.791       400.9058 7693.190       408.6893 389.8907 10.51453 395.8093 10.55818 -5.918579      14.90069 
1 1 1 6   7  9  o 134.2582 3.187425 882.3912       41.88774 871.6348       59.81159 892.7449       58.68101 133.3415 4.589462 134.9551 4.448318 -1.613663      6.391455 
1 1 1 6   7  10 o 148.4331 3.882939 1079.419       56.36693 1167.526       72.98605 949.2000       88.73032 154.3340 4.837362 139.0408 6.537951 15.29321       8.132950 
1 1 1 6   7  11 o 348.4044 7.670905 5949.339       261.5992 5735.000       440.0624 6066.478       325.3213 341.3384 13.19598 351.5593 9.462432 -10.22086      16.23797 
1 1 1 6   7  12 o 271.0376 5.308565 3597.869       140.8357 3474.000       273.1449 3642.725       164.3694 265.8475 10.51749 272.6883 6.158123 -6.840790      12.18771 
1 1 1 6   7  13 o 196.8959 4.112757 1898.209       79.26399 1949.000       157.9144 1881.102       91.64518 199.2196 8.115091 195.9914 4.777123 3.228210       9.416773 
1 1 1 6   7  14 o 276.8359 5.430720 3753.877       147.1587 3739.000       290.2456 3759.025       170.7302 275.7443 10.77431 276.9862 6.297177 -1.241943      12.47959 
1 1 1 6   7  15 o 544.3336 10.16832 14546.52       541.7771 14690.00       1088.490 14499.28       624.6489 544.0630 20.47599 543.1660 11.74890 0.8970337      23.60726 
1 1 1 6   7  16 o 446.1719 9.709946 9773.646       424.0580 9462.000       715.2929 9942.538       526.5731 437.3280 16.74068 449.4824 11.97918 -12.15442      20.58522 
1 1 1 6   7  17 o 321.8252 7.193761 5079.068       226.6116 0.000000       0.000000 5079.068       226.6116 ?        ?        321.8252 7.193761 ?              ?        
1 1 1 6   7  18 o 92.40552 3.127915 418.5573       28.25092 488.4000       51.00079 387.6402       33.93249 99.69891 5.244576 88.88162 3.909863 10.81729       6.541605 
1 1 1 6   7  19 o 234.5694 4.756857 2695.911       109.2189 2762.000       217.6637 2673.672       126.2651 236.8570 9.407153 233.5543 5.523180 3.302734       10.90871 
1 1 1 6   7  20 o 264.4690 5.250571 3428.489       135.9213 3592.000       276.4807 3376.376       156.0853 269.8750 10.48632 262.3820 6.077455 7.493011       12.12017 
1 1 1 6   7  21 o 107.9465 3.108443 571.1117       32.80994 563.4075       43.11057 581.7168       50.57986 107.1565 4.117825 108.8405 4.759176 -1.684013      6.293349 
1 1 1 6   7  22 o 47.84673 4.415943 113.1465       20.44828 95.80000       26.63817 138.0319       31.90596 43.71990 6.415459 52.65945 6.315848 -8.939556      9.002669 
1 1 1 6   7  23 o 184.5293 4.637748 1670.282       83.70174 1606.000       137.5003 1708.127       105.5014 180.5652 7.798092 186.4929 5.786497 -5.927673      9.710498 
1 1 1 6   7  24 o 302.9371 6.837920 4509.130       202.7602 4302.000       337.3786 4626.241       253.6853 294.5509 11.72518 306.4102 8.466469 -11.85928      14.46240 
1 1 1 6   7  25 o 137.4942 3.432498 926.2158       46.19562 922.6299       62.71824 930.4683       68.29889 137.0850 4.680964 137.6285 5.078606 -0.5434875     6.906783 
1 1 1 6   7  26 o 220.8282 5.316925 2393.213       114.9268 2460.000       199.2591 2359.921       140.6854 223.1061 9.143694 219.0311 6.569437 4.074951       11.25898 
1 1 1 6   7  27 o 172.4324 4.553172 1459.310       76.78188 1515.000       132.7449 1431.310       94.12529 175.2265 7.758718 170.6387 5.643132 4.587769       9.593885 
1 1 1 6   7  28 o 205.1265 6.191309 2069.927       124.1690 2164.000       178.6435 1982.000       172.7097 209.2119 8.742846 200.1835 8.835956 9.028427       12.43026 
1 1 1 6   7  29 o 235.1098 4.821617 2712.983       110.9608 2720.808       155.4443 2704.854       158.4432 235.0317 6.763854 234.3072 6.916038 0.7245178      9.673742 
1 1 1 6   7  30 o 369.6035 7.109749 6730.727       257.2152 6851.109       366.9026 6614.385       360.6914 371.5011 10.09921 365.0191 10.10490 6.482056       14.28647 
1 1 1 6   7  31 o 231.9825 5.492795 2645.854       124.7254 2757.894       155.8126 2446.000       208.0993 236.4783 6.738266 221.8144 9.607401 14.66389       11.73484 
1 1 1 6   7  32 o 302.4869 5.949279 4505.215       176.1478 4553.911       249.5899 4456.893       248.6339 303.0893 8.421147 299.8138 8.480846 3.275543       11.95159 
1 1 1 6   7  33 o 54.37190 3.982026 145.9126       21.04567 141.1244       26.94903 153.3978       33.69453 53.30150 5.232691 55.41389 6.325190 -2.112396      8.209085 
1 1 1 6   7  34 o 181.6909 4.639537 1624.915       82.44393 1643.153       100.7724 1588.000       143.3691 182.4576 5.649327 178.5241 8.226620 3.933502       9.979588 
1 1 1 6   7  35 o 274.9030 5.507238 3730.112       148.1902 3886.016       213.9998 3586.474       205.4094 279.2786 7.836082 268.2944 7.830099 10.98416       11.07766 
1 1 1 6   7  36 o 57.47492 3.872550 163.2075       21.65903 166.2774       28.26448 158.8403       33.71135 57.82842 5.043787 56.27686 6.223713 1.551559       8.010892 
1 1 1 6   7  37 o 101.4530 3.357763 506.5063       33.29834 539.3203       45.94410 470.1985       48.32823 104.4667 4.503675 97.39707 5.086941 7.069641       6.794119 
1 1 1 6   7  38 o 91.04485 3.370033 408.2985       29.98097 395.5123       40.26299 424.2113       44.91671 89.35387 4.619162 92.45795 4.981545 -3.104073      6.793560 
1 1 1 6   7  39 o 66.69260 3.707310 219.9243       24.10629 228.4836       31.89289 208.5173       36.81794 67.74290 4.841687 64.42905 5.903656 3.313850       7.635122 
1 1 1 6   7  40 o 80.70642 3.452431 321.5646       27.21039 321.7116       36.42136 321.3789       40.93563 80.44428 4.645213 80.23335 5.241122 0.2109299      7.003382 
1 1 1 6   7  41 o 56.94009 4.082768 161.1744       22.60408 132.9302       29.42279 201.8536       35.31065 51.20640 5.982831 63.30343 5.761724 -12.09703      8.306126 
1 1 1 6   7  42 o 57.48809 4.136409 164.4979       23.12036 178.1887       30.69592 146.5468       35.14883 59.52764 5.324279 53.44787 6.877775 6.079765       8.697801 
1 1 1 6   7  43 o 86.38809 3.531433 369.3066       29.79851 375.9676       40.10585 361.0978       44.52224 86.78588 4.739185 84.80370 5.391511 1.982178       7.178320 
1 1 1 6   7  44 o 39.02254 5.938446 78.27082       21.96827 105.6483       26.55389 18.89000       39.10701 45.39014 6.133501 25.19817 10.20465 20.19197       11.90608 
1 1 1 6   7  45 o 90.05238 3.956625 403.5375       34.79084 422.3000       52.97394 389.3066       46.13527 91.18282 5.968107 87.82957 5.392433 3.353249       8.043422 
1 1 1 6   7  46 o 90.49351 5.025061 412.9284       44.33598 477.5000       56.21859 306.7000       72.10732 96.76072 5.964729 74.66549 10.12710 22.09523       11.75313 
1 1 1 6   7  47 o 20.86407 8.361164 14.10456       25.95574 49.00000       50.65424 1.680046       30.22534 31.30175 11.92609 19.76670 8.540289 11.53505       14.66861 
1 1 1 6   7  48 o 41.05877 6.852474 89.49308       26.56975 91.56000       50.68022 88.70966       31.20140 39.04004 12.05474 40.24115 8.199946 -1.201111      14.57930 
1 1 1 6   7  49 o 28.45689 7.009800 43.90717       19.39544 59.20763       25.71723 23.72517       29.53618 32.71670 8.079258 23.54479 9.072409 9.171911       12.14837 
1 1 1 6   7  50 o 115.4030 3.491963 664.0526       39.39972 701.9672       55.53141 625.6194       55.90976 117.6705 4.831585 110.7994 5.169432 6.871086       7.075821 
1 1 1 6   7  51 o 71.62652 5.371853 263.7187       37.38769 0.000000       0.000000 263.7187       37.38769 ?        ?        71.62652 5.371853 ?              ?        
1 1 1 6   7  52 o 43.94701 4.742640 99.02279       20.07849 83.04583       26.89895 119.1254       30.17274 39.01774 7.311742 47.24812 6.712844 -8.230377      9.925918 
1 1 1 6   7  53 o 48.82880 4.330014 121.4548       20.48095 136.7153       27.51793 102.5030       30.66601 51.18917 5.582366 43.17061 7.530828 8.018559       9.374229 
1 1 1 6   7  54 o 21.87212 7.181502 25.40750       17.76475 35.00622       23.82770 13.39501       26.65581 25.19646 8.319322 20.41261 8.365224 4.783855       11.79780 
1 1 1 6   7  55 o 35.37922 5.660700 66.28165       18.94252 74.09386       25.53423 56.72032       28.24847 36.55256 7.391069 31.23893 8.841748 5.313623       11.52408 
1 1 1 6   7  56 o 51.45641 4.627624 135.9777       23.05922 131.9144       28.30277 144.0000       39.76856 49.96032 5.901356 50.49558 8.336670 -0.5352631     10.21401 
1 1 1 6   7  57 o 33.78557 6.177229 61.59202       19.67570 75.82362       26.11412 42.90388       29.92482 36.83582 7.497921 27.39846 9.326617 9.437359       11.96681 
1 1 1 6   7  58 o 29.88427 6.827485 49.50183       19.53301 54.45887       25.93256 43.00162       29.69603 30.62911 8.399461 27.34417 9.291162 3.284943       12.52504 
1 1 1 6   7  59 o 37.47565 5.721141 74.75816       20.32230 73.52697       28.13945 76.10036       29.38087 35.73350 8.216897 36.22406 8.443021 -0.4905624     11.78143 
1 1 1 6   7  60 o 47.18634 5.222871 116.7917       23.71966 151.6000       37.51409 93.60679       30.61650 52.04778 7.586572 40.42208 8.021215 11.62570       11.04065 
1 1 1 6   7  61 f 44.68652 6.039127 107.8010       25.73986 105.8000       35.97445 109.9000       36.84447 41.98450 9.022682 42.76062 9.083483 -0.7761230     12.80306 
1 1 1 6   8  0  o 194.7615 4.032483 1857.371       76.87442 1876.337       109.8254 1839.152       107.6412 195.6193 5.741894 193.6732 5.684248 1.946091       8.079606 
1 1 1 6   8  1  o 573.0730 15.17036 16195.76       850.2176 16680.00       1228.069 15750.00       1178.256 579.3021 21.69600 563.0083 21.41960 16.29376       30.48796 
1 1 1 6   8  2  o 315.2108 7.006947 4869.713       216.1902 4704.241       259.0923 5249.000       392.2614 309.5821 8.558334 326.5401 12.29445 -16.95795      14.97994 
1 1 1 6   8  3  o 293.5687 5.682240 4221.722       163.2810 4188.267       229.9786 4255.728       231.8613 292.1597 8.049612 294.5049 8.050764 -2.345215      11.38469 
1 1 1 6   8  4  o 392.7644 8.570850 7564.627       329.5052 7312.000       557.0115 7700.623       408.6826 385.1278 14.80343 395.9408 10.55449 -10.81299      18.18073 
1 1 1 6   8  5  o 355.8549 7.815848 6207.156       272.2421 5877.000       453.7171 6392.895       340.3110 345.4826 13.44257 360.8667 9.643003 -15.38406      16.54358 
1 1 1 6   8  6  o 431.3689 9.384048 9126.335       396.2281 8972.000       675.2960 9207.365       489.3094 426.5085 16.20507 432.8896 11.55816 -6.381195      19.90466 
1 1 1 6   8  7  o 452.5628 8.499960 10041.01       376.5321 9771.252       523.0208 10331.24       542.5072 445.9052 11.99402 458.4970 12.09881 -12.59183      17.03636 
1 1 1 6   8  8  o 746.2870 13.85248 27381.38       1011.905 27161.35       1423.127 27606.38       1439.105 741.3436 19.62910 747.3742 19.68914 -6.030579      27.80222 
1 1 1 6   8  9  o 448.6512 11.93053 9891.928       523.4670 9669.000       728.4266 10130.00       752.7612 442.6598 16.84234 453.0687 17.00428 -10.40884      23.93345 
1 1 1 6   8  10 o 128.7598 3.594426 812.2947       45.25756 773.4000       75.35998 834.2360       56.60124 125.4993 6.153461 130.4517 4.439184 -4.952415      7.587584 
1 1 1 6   8  11 o 317.4313 6.115228 4936.166       190.0066 4686.000       364.0917 5029.795       222.7436 308.6236 12.07576 320.3745 7.102988 -11.75085      14.00987 
1 1 1 6   8  12 o 364.9062 6.942518 6525.197       247.9730 5997.000       466.3143 6733.452       292.8052 348.9198 13.68010 370.6003 8.071734 -21.68048      15.88390 
1 1 1 6   8  13 o 542.3770 10.12485 14438.55       537.5219 13810.00       1039.441 14668.00       628.0126 527.8355 20.15551 546.3998 11.74226 -18.56427      23.32649 
1 1 1 6   8  14 o 285.1157 5.575130 3982.192       155.5903 3963.000       306.3705 3988.862       180.6153 283.8297 11.04875 285.3086 6.467456 -1.478882      12.80246 
1 1 1 6   8  15 o 86.78271 3.714086 369.4312       31.47646 0.000000       0.000000 369.4312       31.47646 ?        ?        86.78271 3.714086 ?              ?        
1 1 1 6   8  16 o 114.6207 3.138106 643.7063       35.17451 630.1000       63.59299 649.7039       42.22112 113.2503 5.755595 115.1264 3.751708 -1.876137      6.870384 
1 1 1 6   8  17 o 366.4478 6.992889 6585.705       250.8275 6782.000       508.6678 6522.641       288.3177 370.4437 14.05381 364.5624 8.079662 5.881287       16.21082 
1 1 1 6   8  18 o 545.4040 10.21012 14630.94       545.0736 14830.00       1098.050 14565.84       627.8976 544.5850 20.63653 543.7377 11.79759 0.8472290      23.77077 
1 1 1 6   8  19 o 310.2551 6.028808 4720.292       183.0866 5113.000       382.0802 4603.243       208.5947 321.7112 12.15525 306.2843 6.957806 15.42697       14.00576 
1 1 1 6   8  20 o 210.4216 4.382697 2169.542       90.26886 2292.000       181.4893 2129.290       104.0523 215.7465 8.611413 208.4170 5.100494 7.329514       10.00857 
1 1 1 6   8  21 o 121.1406 3.232986 719.2405       38.30112 739.7068       51.16452 693.1520       57.76630 122.7897 4.263439 118.8038 4.978535 3.985901       6.554596 
1 1 1 6   8  22 o 109.0727 3.513255 583.3813       37.45975 605.2475       44.49934 530.2000       69.39790 111.0618 4.100427 103.6772 6.877312 7.384575       8.006930 
1 1 1 6   8  23 o 87.42481 3.067758 374.8078       26.21129 345.8677       32.61893 427.5523       44.03611 83.91753 3.982463 93.25358 4.840905 -9.336044      6.268522 
1 1 1 6   8  24 o 169.1345 4.409012 1403.385       72.93048 1387.000       119.8243 1413.026       91.91653 167.7931 7.313221 169.5977 5.544361 -1.804596      9.177317 
1 1 1 6   8  25 o 176.4344 4.529101 1527.456       78.15240 1348.000       121.4366 1654.331       102.1078 165.3511 7.522729 183.4856 5.692148 -18.13454      9.433558 
1 1 1 6   8  26 o 188.5892 4.721972 1745.645       87.09732 1825.148       107.5318 1594.000       148.5102 192.7128 5.706880 179.6263 8.470428 13.08652       10.21355 
1 1 1 6   8  27 o 228.3186 6.699467 2565.702       149.5608 2579.000       209.9427 2552.000       213.1148 228.2870 9.415569 227.0342 9.611689 1.252716       13.45502 
1 1 1 6   8  28 o 263.5008 6.131827 3412.911       158.1532 3379.000       268.7498 3430.876       195.6099 260.8803 10.54622 263.7845 7.583790 -2.904175      12.98987 
1 1 1 6   8  29 o 99.48755 4.107659 486.2843       39.91483 535.0000       67.38217 459.9492       49.54241 104.0490 6.650905 96.62988 5.257735 7.419106       8.478107 
1 1 1 6   8  30 o 68.18000 4.095579 228.8516       27.20644 236.4332       30.83424 202.2000       57.81185 69.25471 4.574215 63.17364 9.655256 6.081066       10.68398 
1 1 1 6   8  31 o 115.5591 3.329978 655.2503       37.62691 633.6609       50.02467 683.3781       57.09938 113.5143 4.511213 117.8325 4.961729 -4.318253      6.705952 
1 1 1 6   8  32 f 173.1116 3.904398 1470.726       66.15865 1484.966       91.93838 1455.433       95.27576 173.6430 5.415827 171.8538 5.671689 1.789139       7.842144 
1 1 1 6   8  33 o 94.09528 3.282375 434.8478       30.18538 404.1741       39.47850 478.0187       46.83524 90.57327 4.466796 98.45985 4.874835 -7.886581      6.611829 
1 1 1 6   8  34 o 75.07633 3.423852 277.2368       25.09456 244.4744       32.34894 326.7470       39.76666 70.32425 4.726924 81.29983 5.021669 -10.97558      6.896447 
1 1 1 6   8  35 o 162.9206 4.353783 1307.363       69.36806 1335.333       84.85200 1251.000       120.4510 164.4108 5.279454 158.2587 7.799675 6.152008       9.418469 
1 1 1 6   8  36 o 111.8038 3.379444 614.8018       36.94106 651.5134       50.86919 573.8396       53.73348 114.8731 4.532979 107.6665 5.113297 7.206635       6.833280 
1 1 1 6   8  37 o 43.59637 4.669677 94.89833       19.61698 88.75822       24.74073 105.2947       32.19334 41.81771 6.234540 45.29616 7.524959 -3.478447      9.772129 
1 1 1 6   8  38 o 107.3645 3.387930 567.7857       35.55965 591.8170       48.84953 540.6974       51.86360 109.3301 4.574832 104.3480 5.093147 4.982132       6.846111 
1 1 1 6   8  39 o 84.28381 3.404507 350.4328       28.02915 347.0545       37.58458 354.6661       42.07240 83.60162 4.610775 84.37645 5.118198 -0.7748337     6.888773 
1 1 1 6   8  40 o 101.3052 3.411808 506.3519       33.78333 528.6883       46.46313 481.2977       49.20869 103.1774 4.612294 98.26331 5.133969 4.914101       6.901514 
1 1 1 6   8  41 o 41.34765 5.012012 86.23883       19.87108 81.43382       25.44261 93.75393       31.81862 39.68019 6.794847 42.26571 7.983593 -2.585514      10.48369 
1 1 1 6   8  42 o 22.23579 7.302133 24.33051       18.36625 46.99856       23.30827 -12.79568      29.82930 29.79936 7.873974 17.87773 8.061304 11.92163       11.26872 
1 1 1 6   8  43 o 58.76770 4.391380 172.5037       25.07809 184.8492       30.45474 146.5000       44.19963 60.61134 5.182972 52.49382 8.921014 8.117512       10.31735 
1 1 1 6   8  44 o 37.01989 5.789271 70.49318       20.29134 80.34130       25.72906 54.28968       33.00285 39.19233 6.961863 31.79450 9.711389 7.397831       11.94900 
1 1 1 6   8  45 o 56.99281 4.957322 163.9620       27.38013 164.6117       30.43030 161.2000       62.74464 56.89638 5.533891 52.67772 12.37951 4.218662       13.56010 
1 1 1 6   8  46 o 32.21749 7.099217 55.53936       21.78277 84.33000       30.06326 23.71894       31.60556 39.48986 8.050902 24.20180 9.368972 15.28806       12.35292 
1 1 1 6   8  47 o 62.08916 4.335773 194.0116       26.18489 182.4000       38.10309 204.4026       36.04464 59.08234 6.707201 63.01115 5.913189 -3.928810      8.941607 
1 1 1 6   8  48 o 92.61558 3.451980 427.1077       31.23905 415.7776       42.02715 441.0966       46.69855 90.68753 4.751094 93.16310 5.140912 -2.475571      7.000133 
1 1 1 6   8  49 o 24.88823 8.410008 32.42526       24.32825 1.870000       46.16442 44.17390       28.62583 23.49751 10.34443 28.32924 9.102547 -4.831730      13.77910 
1 1 1 6   8  50 o 30.88073 9.013999 53.89581       28.93313 0.000000       0.000000 53.89581       28.93313 ?        ?        30.88073 9.013999 ?              ?        
1 1 1 6   8  51 o 22.59913 7.093894 27.15413       17.47225 7.266195       22.65256 56.36323       27.45249 18.30234 7.625514 31.54131 8.639089 -13.23897      11.52312 
1 1 1 6   8  52 o 82.57738 3.465077 341.0262       27.94564 356.3882       38.15723 323.2532       41.04252 83.69355 4.676373 79.25296 5.321534 4.440590       7.084291 
1 1 1 6   8  53 o 19.41706 7.057474 17.81413       17.34044 30.60589       22.82941 0.3695927      26.65996 23.92142 8.146155 18.11432 7.921036 5.807098       11.36234 
1 1 1 6   8  54 o 67.65134 3.651763 230.3434       24.09198 231.5899       32.60158 228.8438       35.75935 67.03466 5.004707 66.24408 5.566320 0.7905807      7.485387 
1 1 1 6   8  55 o 16.81303 6.924101 7.234658       18.37896 18.99767       22.51455 -16.26000      31.81915 20.72641 7.937685 17.35626 8.013633 3.370152       11.27941 
1 1 1 6   8  56 o 41.94036 4.970337 91.36903       20.00823 87.19592       26.63192 96.77681       30.31665 39.82841 7.091285 41.59876 7.729984 -1.770348      10.48995 
1 1 1 6   8  57 o 24.86402 7.233083 34.41375       18.65793 40.47177       24.72684 26.40416       28.43206 26.66790 8.448115 23.36837 8.927323 3.299526       12.29096 
1 1 1 6   8  58 o 17.10008 6.936864 9.084429       18.10628 16.59579       24.52443 0.8438633E-01  26.84491 20.46177 8.151640 17.97345 7.901287 2.488323       11.35251 
1 1 1 6   8  59 o 43.00107 5.004233 96.38691       20.67006 75.00888       29.08685 118.1967       29.37910 35.93965 8.417096 46.67994 6.614938 -10.74029      10.70537 
1 1 1 6   8  60 o 39.46698 5.509736 82.75779       20.70555 82.23461       29.33746 83.27704       29.22698 37.65500 8.193080 37.95667 8.112687 -0.3016739     11.53006 
1 1 1 6   8  61 o 39.30798 5.535851 82.57511       20.71038 103.5217       29.70443 62.76090       28.89035 42.81912 7.351979 32.15846 8.883987 10.66066       11.53156 
1 1 1 6   9  0  o 183.8994 3.876471 1655.779       69.77874 1768.973       102.9958 1559.744       94.86855 189.9630 5.545098 178.3711 5.440007 11.59189       7.767998 
1 1 1 6   9  1  o 710.2545 15.26358 24833.72       1061.150 24692.81       1296.262 25120.00       1847.626 706.9480 18.74919 709.6440 26.64645 -2.696045      32.58168 
1 1 1 6   9  2  o 323.5922 6.210665 5129.644       196.7172 5296.829       284.4774 4976.441       272.3209 328.5426 8.854131 318.4546 8.744570 10.08804       12.44440 
1 1 1 6   9  3  f 241.3454 5.543429 2852.842       130.9555 2951.000       231.1435 2806.440       158.9219 245.0882 9.653915 239.2338 6.793522 5.854385       11.80466 
1 1 1 6   9  4  o 408.1582 8.889567 8168.715       355.1529 7905.000       601.0914 8310.154       440.2082 400.4763 15.36256 411.3324 10.94321 -10.85611      18.86166 
1 1 1 6   9  5  o 267.8519 7.505605 3518.723       196.5886 3266.000       265.9816 3823.000       291.8523 257.7714 10.56409 278.9053 10.71045 -21.13397      15.04373 
1 1 1 6   9  6  o 474.2234 8.887017 11026.96       412.5201 10754.60       573.4097 11319.15       593.9136 467.7310 12.53587 479.8388 12.65613 -12.10776      17.81364 
1 1 1 6   9  7  o 201.2096 4.175865 1982.235       82.24345 1895.573       113.7908 2077.020       119.0039 196.6317 5.918914 205.8361 5.912668 -9.204422      8.366193 
1 1 1 6   9  8  o 156.3515 4.007895 1197.667       61.28673 1104.000       100.9845 1252.283       77.11118 149.9464 6.898869 159.8369 4.934631 -9.890549      8.482038 
1 1 1 6   9  9  o 196.5635 4.712667 1892.015       90.67256 1892.000       155.7771 1892.023       111.5090 196.2875 8.125401 196.4500 5.805346 -0.1625671     9.986200 
1 1 1 6   9  10 o 442.6508 8.321814 9606.739       360.5665 9092.000       692.2942 9798.344       422.3765 429.1930 16.50983 446.9049 9.655581 -17.71191      19.12602 
1 1 1 6   9  11 o 103.4562 2.929292 524.3693       29.63384 491.5000       55.69377 537.3501       34.99961 100.0063 5.713255 104.7107 3.419390 -4.704346      6.658342 
1 1 1 6   9  12 o 233.2766 4.692332 2664.951       107.1436 2377.000       197.4320 2785.157       127.5616 219.9287 9.191531 238.4532 5.465259 -18.52451      10.69361 
1 1 1 6   9  13 o 399.9639 8.756127 7847.297       342.7986 7218.000       557.5721 8229.709       434.6494 382.4682 14.92222 409.1970 10.86137 -26.72876      18.45649 
1 1 1 6   9  14 o 423.8175 9.249408 8815.741       383.7064 0.000000       0.000000 8815.741       383.7064 ?        ?        423.8175 9.249408 ?              ?        
1 1 1 6   9  15 o 738.7841 13.74848 26900.44       994.2103 24550.00       1859.948 27840.69       1176.378 698.1566 27.26954 750.6502 16.01043 -52.49359      31.62217 
1 1 1 6   9  16 f 485.0529 9.111296 11554.86       432.5891 11540.00       860.9166 11559.88       500.3391 481.8835 18.28527 484.8733 10.54217 -2.989746      21.10660 
1 1 1 6   9  17 o 217.4485 5.131774 2317.001       109.2270 2126.000       176.6730 2435.176       138.9682 207.8723 8.702200 222.7590 6.380012 -14.88670      10.79041 
1 1 1 6   9  18 o 118.2929 3.578973 685.9372       41.39269 759.6000       70.09105 646.4891       51.29227 124.3388 5.774806 114.7781 4.574647 9.560745       7.367209 
1 1 1 6   9  19 o 158.1976 4.116956 1226.897       63.69615 1139.000       102.3738 1282.417       81.36292 152.1841 6.890347 161.6645 5.148252 -9.480347      8.601243 
1 1 1 6   9  20 o 208.4447 4.349117 2129.144       88.73565 2059.000       168.8718 2155.898       104.2946 204.4527 8.456616 209.7021 5.081042 -5.249390      9.865664 
1 1 1 6   9  21 o 247.8019 4.990414 3010.682       121.0452 3216.000       247.3191 2946.008       138.8064 255.2497 9.917755 245.0501 5.786932 10.19960       11.48262 
1 1 1 6   9  22 o 141.9548 3.443852 987.1398       47.85209 944.1998       62.73249 1046.892       74.00121 138.7047 4.627043 146.0110 5.186056 -7.306351      6.950159 
1 1 1 6   9  23 o 189.4507 4.072231 1759.089       75.51529 1778.172       104.4979 1738.230       109.2501 190.2712 5.616992 188.0801 5.941798 2.191086       8.176525 
1 1 1 6   9  24 o 265.9214 5.290029 3469.842       137.6948 3435.141       190.9678 3507.418       198.7234 264.1607 7.392867 266.8803 7.615014 -2.719543      10.61334 
1 1 1 6   9  25 o 169.2309 4.461825 1405.356       73.84470 1381.000       118.8378 1420.676       94.24968 167.3896 7.270371 170.0135 5.671510 -2.623825      9.220863 
1 1 1 6   9  26 o 243.3331 6.966270 2914.927       165.7526 2830.000       226.4180 3013.000       243.3120 239.1034 9.694385 246.6068 10.10119 -7.503357      14.00054 
1 1 1 6   9  27 o 188.9668 4.767168 1753.160       88.10593 1811.000       148.9456 1722.028       109.2743 191.5242 7.962442 187.1114 5.974044 4.412781       9.954380 
1 1 1 6   9  28 o 169.9865 3.874918 1416.776       64.47380 1467.838       90.19865 1363.430       92.19353 172.7991 5.339171 166.4871 5.665613 6.311996       7.784980 
1 1 1 6   9  29 o 144.7394 5.210989 1030.330       73.70615 1078.000       103.3560 981.0000       105.1394 147.7367 7.168678 140.8253 7.656230 6.911423       10.48846 
1 1 1 6   9  30 o 160.9632 4.402041 1272.657       69.29135 1392.000       121.8396 1215.606       84.24089 167.7929 7.436847 157.1522 5.484823 10.64070       9.240669 
1 1 1 6   9  31 o 146.2874 4.228713 1051.385       60.48745 1052.000       101.6371 1051.048       75.26794 145.8133 7.142864 146.1087 5.271574 -0.2953186     8.877500 
1 1 1 6   9  32 o 174.2960 3.920653 1491.260       66.88858 1527.635       93.66369 1453.401       95.55411 176.0826 5.440891 171.6921 5.693691 4.390488       7.875368 
1 1 1 6   9  33 o 67.17499 3.512145 222.0770       23.01310 231.2128       29.79093 208.5582       36.23933 68.43123 4.472080 64.77876 5.775846 3.652466       7.304786 
1 1 1 6   9  34 o 146.6235 3.598254 1055.867       51.64182 1091.485       71.94782 1018.018       74.16788 148.7632 4.947895 143.5852 5.286180 5.178024       7.240535 
1 1 1 6   9  35 o 109.1086 3.325200 585.2540       35.47120 590.2777       47.88581 579.1461       52.80136 109.3770 4.482245 108.2325 4.997526 1.144524       6.713106 
1 1 1 6   9  36 o 94.48210 3.742885 439.8820       34.54634 434.5352       41.12510 452.7000       63.67532 93.76460 4.493947 95.09220 6.887690 -1.327599      8.224100 
1 1 1 6   9  37 o 84.90845 3.947922 355.9726       32.72165 361.5978       37.89906 339.5000       64.85466 85.45618 4.547211 81.72591 8.218754 3.730270       9.392818 
1 1 1 6   9  38 o 71.80703 3.581295 254.6069       25.09230 265.1252       32.89886 239.9781       38.79811 73.06666 4.623688 69.21406 5.779482 3.852600       7.401412 
1 1 1 6   9  39 o 119.5554 3.437203 704.7925       40.18180 733.0898       55.68625 674.0548       58.03798 121.5468 4.689363 116.3937 5.106638 5.153122       6.933100 
1 1 1 6   9  40 o 38.82902 5.312144 76.40373       19.66104 69.54678       24.84298 87.89722       32.16356 36.51982 7.205760 40.83015 8.330241 -4.310329      11.01435 
1 1 1 6   9  41 f 50.10194 4.407609 125.4121       21.39531 126.3722       27.77101 124.0100       33.55927 49.93237 5.789185 49.00446 7.211802 0.9279137      9.247959 
1 1 1 6   9  42 o 109.6049 3.843634 595.0281       41.17233 600.6635       50.30958 583.6000       71.64414 109.8046 4.691657 107.1623 6.866309 2.642235       8.316119 
1 1 1 6   9  43 o 81.52396 3.576627 329.2562       28.47128 357.9939       38.39722 294.1589       42.43362 84.66595 4.651107 76.32356 5.721605 8.342384       7.373572 
1 1 1 6   9  44 o 42.42322 6.087227 92.67812       24.55405 102.0485       27.05618 48.93000       58.46106 44.44137 6.404368 32.89568 12.74010 11.54570       14.25924 
1 1 1 6   9  45 o 58.70764 4.082712 172.3751       23.31499 166.5938       30.42334 180.6022       36.29239 57.21489 5.500076 59.22166 6.360338 -2.006771      8.408610 
1 1 1 6   9  46 o 78.96790 3.602484 310.5008       27.77240 308.1924       36.96645 313.4922       42.08092 78.13130 4.857693 78.45988 5.514500 -0.3285751     7.348938 
1 1 1 6   9  47 o 44.30424 4.794284 99.93713       20.46014 109.2659       26.90365 87.14112       31.50906 45.80121 6.156858 39.84357 8.346969 5.957638       10.37202 
1 1 1 6   9  48 o 14.87158 6.556178 -3.332630      18.60452 -13.46000      25.00188 9.232956       27.84939 15.74281 7.207848 20.28474 8.453564 -4.541931      11.10927 
1 1 1 6   9  49 o 44.60543 5.379394 102.7086       23.01331 152.6000       34.33162 61.99807       31.01237 53.81050 6.660139 33.03127 9.234466 20.77923       11.38564 
1 1 1 6   9  50 o 62.03391 4.803266 196.0570       28.93861 172.7000       50.12516 207.7340       35.44171 55.09535 9.645938 63.31749 5.782282 -8.222141      11.24628 
1 1 1 6   9  51 o 50.59700 5.496750 132.7902       26.78611 124.1000       47.54419 136.8313       32.42131 45.43970 10.84132 50.70425 6.696026 -5.264549      12.74249 
1 1 1 6   9  52 o 19.16779 7.002669 16.99545       17.10347 32.19660       22.11512 -5.628696      26.97970 24.41126 8.012595 17.34944 7.757090 7.061813       11.15232 
1 1 1 6   9  53 o 75.95893 3.534371 289.5307       26.20625 270.8357       35.23954 312.6618       39.19819 72.57661 4.990908 77.86401 5.172400 -5.287407      7.187690 
1 1 1 6   9  54 o 39.22596 5.679626 81.28654       21.17334 73.04456       25.86742 98.02000       36.85787 36.17575 7.549548 40.77259 9.424182 -4.596832      12.07522 
1 1 1 6   9  55 o 24.21575 7.153952 32.40934       18.13135 42.32816       24.12157 19.52623       27.49072 27.26212 8.297647 21.77500 8.644955 5.487125       11.98275 
1 1 1 6   9  56 o 38.23061 6.393344 78.96333       23.08049 80.56178       26.05153 73.13000       49.76709 38.14029 7.242989 33.73401 11.99381 4.406281       14.01115 
1 1 1 6   9  57 o 19.68024 7.248049 18.32960       18.38141 22.34469       24.83781 13.46792       27.33119 21.88138 8.347712 20.48087 8.440083 1.400509       11.87094 
1 1 1 6   9  58 o 62.59192 3.937044 198.7291       23.99878 219.7692       33.79374 177.3223       34.08696 64.87833 5.369497 57.69540 6.129578 7.182922       8.148817 
1 1 1 6   9  59 o 48.02512 4.585898 119.0120       21.29606 112.2062       29.58921 126.3262       30.67445 45.21378 6.904427 48.16971 6.685731 -2.955929      9.610937 
1 1 1 6   9  60 o 66.83311 3.877522 227.0193       25.25709 218.7997       35.59649 235.3530       35.84261 64.23605 5.721182 66.80051 5.531218 -2.564461      7.957782 
1 1 1 6   9  61 o 20.73832 7.389516 22.45273       18.90095 13.38539       27.32908 30.76638       26.16863 20.13551 8.381424 23.71749 8.662338 -3.581982      12.05340 
1 1 1 6   10 0  o 342.0993 6.540641 5733.526       219.0174 5959.740       318.6436 5530.947       301.5386 348.4735 9.350218 335.7109 9.185008 12.76260       13.10690 
1 1 1 6   10 1  o 461.0409 12.27962 10447.51       553.6606 10820.00       803.0308 10110.00       764.3865 468.1595 17.55505 452.5767 17.28677 15.58273       24.63762 
1 1 1 6   10 2  o 578.2339 12.44997 16424.19       704.6578 18180.00       1313.720 15714.99       834.9280 605.5417 22.20181 564.9218 15.11279 40.61993       26.85734 
1 1 1 6   10 3  o 732.8766 15.76995 26443.20       1131.273 26340.00       1943.378 26496.09       1391.300 726.6472 27.37187 732.2388 19.42879 -5.591614      33.56631 
1 1 1 6   10 4  o 365.7764 6.958293 6555.607       249.1292 6466.145       349.5979 6647.914       355.1105 362.9274 9.850188 367.9949 9.867510 -5.067474      13.94252 
1 1 1 6   10 5  o 427.0017 8.051018 8937.581       336.5012 8469.317       458.1434 9486.119       495.8604 415.1985 11.28346 439.3956 11.53914 -24.19708      16.13903 
1 1 1 6   10 6  o 293.5821 6.588189 4222.807       189.3223 4257.188       234.2195 4158.000       321.5637 294.5807 8.130706 290.7985 11.31876 3.782166       13.93638 
1 1 1 6   10 7  o 482.7994 10.45889 11439.49       494.2636 11640.00       863.4233 11341.75       602.8030 485.3258 18.20769 480.2292 12.83542 5.096649       22.27708 
1 1 1 6   10 8  o 252.4155 5.000401 3120.243       123.5456 2888.000       234.0488 3209.951       145.4624 242.4132 9.884525 255.9896 5.805267 -13.57645      11.46320 
1 1 1 6   10 9  o 636.6011 11.84642 19907.95       738.1774 19130.00       1431.573 20189.71       861.5466 620.1910 23.62527 640.6801 13.73825 -20.48914      27.32934 
1 1 1 6   10 10 o 341.2619 6.530680 5706.417       218.1486 5342.000       415.2080 5845.367       256.3866 329.3737 12.90362 345.3208 7.585190 -15.94702      14.96792 
1 1 1 6   10 11 o 320.8675 6.179064 5044.386       194.0683 4745.000       370.3281 5157.731       227.8624 310.4649 12.21000 324.3898 7.176278 -13.92484      14.16273 
1 1 1 6   10 12 o 445.8400 9.705818 9756.523       423.5623 8862.000       683.3130 10314.70       539.7708 423.4345 16.51814 457.8999 12.05342 -34.46536      20.44832 
1 1 1 6   10 13 o 260.5009 5.968358 3325.191       152.1844 0.000000       0.000000 3325.191       152.1844 ?        ?        260.5009 5.968358 ?              ?        
1 1 1 6   10 14 o 196.5252 4.129744 1891.440       79.44151 1741.000       148.3216 1951.957       94.07264 188.2052 8.070062 199.6213 4.814490 -11.41603      9.397085 
1 1 1 6   10 15 o 137.5647 3.330644 926.6032       44.84784 798.1000       79.70626 986.1326       54.25016 127.4290 6.410842 141.8485 3.910973 -14.41945      7.509634 
1 1 1 6   10 16 o 139.4440 3.366002 952.1536       45.94311 856.9000       82.86740 994.4261       55.20423 132.0366 6.431194 142.4362 3.963403 -10.39958      7.554390 
1 1 1 6   10 17 o 340.5670 6.538239 5689.257       217.9564 5561.000       425.9677 5734.745       253.6795 335.3533 13.00144 341.7937 7.582546 -6.440430      15.05099 
1 1 1 6   10 18 o 337.4716 6.491135 5587.631       214.4194 5406.000       415.8702 5653.398       250.2461 330.4980 12.87997 339.3058 7.534765 -8.807800      14.92201 
1 1 1 6   10 19 o 286.7426 5.618845 4032.359       157.7050 3975.000       308.5376 4052.644       183.4847 283.6261 11.13526 287.3596 6.523310 -3.733551      12.90533 
1 1 1 6   10 20 o 61.80870 3.351900 187.6699       20.20314 189.3000       30.10774 186.3347       27.24880 61.93594 5.008959 61.48976 4.559739 0.4461784      6.773543 
1 1 1 6   10 21 f 283.2663 5.575251 3936.403       154.5844 3824.000       298.5949 3977.561       180.6824 278.0290 10.99368 284.6239 6.485422 -6.594879      12.76408 
1 1 1 6   10 22 o 188.2698 4.043084 1737.146       74.50745 1707.355       101.3373 1772.200       109.9247 186.4520 5.558801 189.9189 5.920409 -3.466843      8.121054 
1 1 1 6   10 23 o 138.6852 3.400410 942.3033       46.16019 895.5352       60.15664 1009.271       71.98488 135.0672 4.556691 143.3411 5.138871 -8.273834      6.868145 
1 1 1 6   10 24 o 130.7338 3.767286 838.3164       48.15811 823.0638       56.14133 880.8000       93.69627 129.4827 4.436155 133.6281 7.189857 -4.145493      8.448285 
1 1 1 6   10 25 o 118.0290 4.481915 684.1823       51.68550 643.0000       64.96533 755.2000       85.31200 114.2754 5.827187 123.7031 7.075197 -9.427673      9.165943 
1 1 1 6   10 26 o 91.16646 3.174752 407.7048       28.28706 399.4815       35.41548 422.1950       47.01168 90.17790 4.022362 92.59792 5.207774 -2.420013      6.580297 
1 1 1 6   10 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   10 28 o 211.2557 6.267798 2197.290       129.4640 2098.000       173.8199 2321.000       194.0208 205.8681 8.645140 216.3965 9.180780 -10.52844      12.61052 
1 1 1 6   10 29 o 280.4936 6.436340 3872.988       176.7128 4001.000       308.0359 3810.192       215.7449 283.2552 11.13175 277.6787 7.945817 5.576508       13.67669 
1 1 1 6   10 30 o 192.9401 4.170543 1826.957       78.76282 1873.790       110.6496 1778.853       112.1402 195.0596 5.801753 190.0003 6.037438 5.059357       8.373231 
1 1 1 6   10 31 o 222.8607 5.395041 2443.668       117.6886 2710.000       214.0417 2328.259       140.8989 233.2642 9.393629 217.1417 6.636946 16.12247       11.50171 
1 1 1 6   10 32 o 119.4051 4.030904 700.9938       47.04448 821.6000       83.45466 644.8171       56.95659 128.7951 6.642240 114.3548 5.101266 14.44035       8.375098 
1 1 1 6   10 33 o 183.1138 4.046624 1647.745       72.53042 1712.355       102.6621 1583.358       102.4851 186.2297 5.638398 179.0089 5.856861 7.220764       8.129844 
1 1 1 6   10 34 o 107.9649 3.795850 573.6222       40.05177 617.1407       48.21988 476.8000       71.92442 111.8847 4.411651 97.59190 7.588940 14.29284       8.778079 
1 1 1 6   10 35 o 74.76785 3.470921 275.3298       25.33256 260.9895       32.17703 298.7093       41.08517 72.62371 4.549340 77.53777 5.448018 -4.914063      7.097703 
1 1 1 6   10 36 o 92.01463 3.356654 416.8159       30.18153 416.2207       39.63757 417.6371       46.55932 91.75060 4.426649 91.72931 5.206903 0.2128601E-01  6.834257 
1 1 1 6   10 37 o 23.94679 6.953663 29.30539       17.25829 33.76547       20.75967 19.32588       31.05301 25.72844 7.668537 23.86437 9.273356 1.864073       12.03335 
1 1 1 6   10 38 o 74.56908 4.010535 275.2761       29.16530 259.6392       32.77303 334.8000       63.94203 72.26916 4.657750 80.88995 8.188462 -8.620796      9.420485 
1 1 1 6   10 39 o 103.5249 3.410853 528.7093       34.51603 530.3724       46.45321 526.6594       51.57340 103.3534 4.603372 102.8090 5.141250 0.5443649      6.900978 
1 1 1 6   10 40 o 28.60335 6.761651 42.82366       18.63036 46.85535       23.00008 35.13121       31.77006 29.80886 7.795655 27.26843 9.593192 2.540424       12.36129 
1 1 1 6   10 41 o 29.29352 6.859730 45.05020       19.32098 35.49886       22.34184 73.38000       38.47763 26.21212 7.987199 36.77138 10.28822 -10.55926      13.02470 
1 1 1 6   10 42 o 84.76246 3.463619 355.4525       28.67637 367.0308       38.34801 340.7647       43.19172 85.79098 4.583255 82.36276 5.387083 3.428215       7.072968 
1 1 1 6   10 43 o 55.08823 4.886124 152.5960       26.07391 153.7533       29.10997 147.9000       58.63898 55.11544 5.467894 51.14761 11.93215 3.967823       13.12532 
1 1 1 6   10 44 o 48.30116 4.488265 117.3229       20.97707 120.8913       26.82195 111.7026       33.66183 48.63214 5.745367 45.94080 7.761944 2.691341       9.656967 
1 1 1 6   10 45 o 26.99935 6.967303 38.93975       18.53621 50.41319       23.59266 20.43387       29.96299 30.51717 7.852786 23.23140 9.085700 7.285767       12.00900 
1 1 1 6   10 46 o 22.10879 7.205699 25.02070       17.89982 22.55294       22.44091 29.33685       29.67819 22.08025 8.028131 24.96549 9.207150 -2.885241      12.21567 
1 1 1 6   10 47 o 45.47411 4.589273 104.9768       20.14826 118.4917       26.31596 85.83218       31.32103 47.88295 5.728298 39.48396 8.364654 8.398987       10.13809 
1 1 1 6   10 48 o 46.11056 5.172073 109.1563       22.94190 114.8000       32.50481 103.5540       32.38503 46.21789 7.437388 43.62195 7.874290 2.595943       10.83140 
1 1 1 6   10 49 o 56.31375 4.441253 160.6135       24.28281 168.7000       35.91967 153.8072       32.95384 56.61004 6.606395 54.17918 6.333295 2.430866       9.151780 
1 1 1 6   10 50 o 34.64522 6.276854 63.97104       20.50234 63.76000       28.88030 64.18546       29.11045 33.51316 8.721312 33.60851 8.760892 -0.9534836E-01 12.36182 
1 1 1 6   10 51 o 31.57536 6.549539 53.88364       19.57816 52.98000       26.77840 54.92137       28.69642 30.54341 8.596076 30.97567 8.958321 -0.4322586     12.41548 
1 1 1 6   10 52 o 21.00097 8.010887 19.46588       22.87214 -5.800000      41.69411 30.34208       27.35559 21.22137 9.553177 24.35705 8.862593 -3.135677      13.03107 
1 1 1 6   10 53 o 33.42320 8.431191 64.14972       27.57618 47.01000       43.62033 75.56000       35.59060 29.11465 11.07323 35.47106 9.883858 -6.356409      14.84274 
1 1 1 6   10 54 f 16.13188 6.689548 5.851926       17.31609 14.91137       22.20878 -8.195059      27.65448 19.67626 7.783417 17.09823 7.730953 2.578037       10.97038 
1 1 1 6   10 55 o 29.71139 7.480683 49.71412       21.73833 51.48191       24.27263 42.55000       48.86329 29.98381 8.086439 28.57192 11.46451 1.411884       14.02945 
1 1 1 6   10 56 o 43.24551 4.781769 96.74831       19.90348 75.22781       26.32000 125.4924       30.41823 36.61344 7.593417 48.21617 6.619740 -11.60273      10.07377 
1 1 1 6   10 57 o 48.56646 4.549768 121.2503       21.37698 140.7241       29.48504 99.67130       31.03792 51.51047 5.957589 42.10265 7.819201 9.407814       9.830196 
1 1 1 6   10 58 o 27.30634 7.033143 41.77148       18.91260 5.830113       25.77799 83.67159       27.83296 18.61585 7.962531 38.52964 7.649929 -19.91378      11.04189 
1 1 1 6   10 59 o 48.34769 4.597306 120.7393       21.49481 112.6007       29.89067 129.4550       30.93259 45.20071 6.980518 48.74946 6.656126 -3.548748      9.645291 
1 1 1 6   10 60 o 31.44329 6.560544 54.91747       19.53778 66.82524       27.76786 43.24227       27.49535 33.56889 8.456288 27.02852 8.937199 6.540369       12.30375 
1 1 1 6   10 61 o 26.56454 7.244958 40.59760       19.35488 45.86980       27.64075 35.52562       27.11082 27.54414 8.952576 24.86443 8.851075 2.679707       12.58929 
1 1 1 6   11 0  o 584.9061 10.90108 16792.78       624.1113 17020.76       892.3227 16574.46       873.2398 587.7778 15.52326 580.0471 15.39388 7.730713       21.86191 
1 1 1 6   11 1  o 388.9174 8.505294 7415.982       323.7821 7773.000       579.8550 7254.234       390.2954 397.1521 14.94279 384.3451 10.38398 12.80707       18.19654 
1 1 1 6   11 2  o 454.7565 9.860798 10145.75       438.9320 10330.00       770.2782 10057.16       534.1373 457.4164 17.23484 452.3347 12.07467 5.081665       21.04370 
1 1 1 6   11 3  o 346.2986 9.408220 5886.531       318.6118 5750.000       444.3526 6031.000       457.0875 341.7500 13.30896 350.0043 13.36653 -8.254303      18.86246 
1 1 1 6   11 4  o 394.9332 7.477033 7644.328       289.0408 7480.118       403.1601 7817.999       414.6111 390.2513 10.56396 398.9658 10.62639 -8.714508      14.98391 
1 1 1 6   11 5  o 127.5250 3.689561 796.8605       46.00655 746.4000       77.32856 824.5080       57.23891 123.2618 6.431469 129.6829 4.516124 -6.421082      7.858700 
1 1 1 6   11 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   11 7  o 783.0518 14.54727 30179.72       1115.008 29350.00       2178.642 30474.17       1297.864 765.2198 29.13988 786.0990 16.86731 -20.87915      33.66956 
1 1 1 6   11 8  o 313.0300 6.037216 4800.497       184.9818 4518.000       354.3375 4906.331       216.8818 302.9990 11.97086 316.4067 7.002792 -13.40771      13.86869 
1 1 1 6   11 9  o 342.6620 6.555184 5753.668       219.8655 5484.000       424.3047 5852.655       257.0706 333.6799 13.01593 345.5235 7.600963 -11.84360      15.07280 
1 1 1 6   11 10 o 629.0448 13.55178 19473.24       834.4188 17970.00       1361.486 20377.55       1055.984 600.6668 23.20014 642.3190 16.81024 -41.65216      28.65014 
1 1 1 6   11 11 o 114.9129 4.789719 647.8679       53.75659 0.000000       0.000000 647.8679       53.75659 ?        ?        114.9129 4.789719 ?              ?        
1 1 1 6   11 12 o 568.5942 10.62411 15885.79       591.2909 14460.00       1103.701 16459.74       700.2611 539.0047 20.95951 578.3665 12.36946 -39.36182      24.33731 
1 1 1 6   11 13 o 131.0431 3.684027 841.5464       47.20759 746.6000       76.83627 899.1190       59.83210 123.2475 6.390987 135.4114 4.520454 -12.16388      7.828105 
1 1 1 6   11 14 o 274.1796 5.389039 3683.775       144.6281 3387.000       271.5256 3801.326       170.8874 262.2198 10.60072 278.4580 6.269664 -16.23822      12.31600 
1 1 1 6   11 15 o 203.7348 4.892936 2033.778       97.57553 1897.000       159.3684 2115.798       123.4113 196.3793 8.309654 207.6495 6.078347 -11.27020      10.29547 
1 1 1 6   11 16 o 305.1494 5.927779 4565.744       177.0561 4386.000       341.3989 4631.876       207.0818 298.0495 11.72507 307.2515 6.885600 -9.201965      13.59738 
1 1 1 6   11 17 o 119.7966 3.613630 703.5504       42.32507 728.9000       70.06357 688.9836       53.11134 121.7712 5.895680 118.4873 4.588078 3.283875       7.470576 
1 1 1 6   11 18 o 149.6650 3.534260 1097.166       51.77556 1130.000       98.86082 1084.756       60.77732 151.5828 6.679376 148.7335 4.178856 2.849304       7.878889 
1 1 1 6   11 19 o 189.7002 4.072503 1763.290       75.61978 1682.000       141.5694 1795.744       89.44984 184.8170 7.843501 191.3957 4.774646 -6.578751      9.182469 
1 1 1 6   11 20 o 216.3603 5.136111 2295.642       108.7723 2155.000       177.4337 2380.318       137.6761 209.0603 8.689728 220.1007 6.397232 -11.04042      10.79055 
1 1 1 6   11 21 o 226.6648 4.643667 2518.972       103.0271 2484.000       198.9297 2531.791       120.4380 224.3399 9.077889 227.1675 5.416404 -2.827621      10.57097 
1 1 1 6   11 22 o 145.2578 3.468963 1033.768       49.32253 974.1495       64.06795 1120.513       77.28039 140.8701 4.652776 151.0355 5.235295 -10.16547      7.004045 
1 1 1 6   11 23 o 96.23505 3.397579 454.3196       31.95414 430.7187       35.68550 549.8000       71.77684 93.66301 3.900939 105.5154 6.989026 -11.85240      8.003986 
1 1 1 6   11 24 o 101.8895 4.622467 510.2266       45.98084 508.7000       59.44700 512.5000       72.54497 101.5900 6.005017 101.7948 7.329816 -0.2047501     9.475571 
1 1 1 6   11 25 o 166.7546 4.493436 1364.853       73.27682 1389.000       121.3928 1351.011       91.91064 167.8116 7.408609 165.7641 5.672957 2.047455       9.331127 
1 1 1 6   11 26 o 196.6037 4.812074 1896.776       92.60410 1941.053       112.9528 1806.000       161.7308 198.6798 5.814396 191.0806 8.669675 7.599152       10.43889 
1 1 1 6   11 27 o 159.1736 4.250351 1243.690       66.16268 1302.808       80.54073 1121.000       116.0269 162.8155 5.059890 150.5509 7.901180 12.26465       9.382491 
1 1 1 6   11 28 o 165.1925 3.782567 1338.140       61.16220 1261.788       81.18874 1438.329       93.00276 160.1909 5.184706 170.9825 5.564380 -10.79158      7.605491 
1 1 1 6   11 29 o 278.9457 7.955700 3848.353       217.0004 0.000000       0.000000 3848.353       217.0004 ?        ?        278.9457 7.955700 ?              ?        
1 1 1 6   11 30 o 130.6979 3.950403 839.0306       50.47978 846.1000       79.96452 834.3468       65.08840 130.8943 6.259369 130.1735 5.118256 0.7208252      8.085558 
1 1 1 6   11 31 o 54.47352 3.959620 146.4413       20.96861 156.3814       25.80465 127.1198       35.97692 56.20525 4.734431 50.13883 7.565944 6.066425       8.925152 
1 1 1 6   11 32 o 117.2795 3.323576 675.4470       38.11497 646.6174       50.07765 715.1452       58.76372 114.5887 4.473331 120.4269 4.996016 -5.838196      6.706032 
1 1 1 6   11 33 o 57.65242 5.058798 165.0439       28.25867 182.8000       46.89389 154.9194       35.41024 60.04331 8.192396 55.54594 6.644499 4.497368       10.54821 
1 1 1 6   11 34 f 69.47556 4.662610 238.9473       31.52431 267.2000       52.97286 223.4552       39.22645 72.85302 7.537201 66.90961 6.054883 5.943413       9.668041 
1 1 1 6   11 35 o 133.3080 3.489461 874.3337       45.49330 894.7538       62.18806 850.8248       66.72583 134.5627 4.728809 131.0788 5.211009 3.483917       7.036778 
1 1 1 6   11 36 o 82.59937 3.398370 336.1376       27.41733 351.7144       35.43181 312.8912       43.28437 84.32779 4.306824 79.22738 5.617921 5.100410       7.078826 
1 1 1 6   11 37 o 70.33941 3.586487 244.3260       24.61151 241.2224       30.90310 249.7083       40.69645 69.69968 4.554605 70.56977 5.946864 -0.8700867     7.490635 
1 1 1 6   11 38 o 80.31154 3.470076 318.4001       27.21429 339.6126       35.70014 288.9735       42.04790 82.73021 4.424685 75.94437 5.697977 6.785835       7.214206 
1 1 1 6   11 39 o 57.47800 4.552601 164.7495       25.40435 158.3568       27.87438 196.1000       61.72845 56.20548 5.122890 60.40194 10.83893 -4.196453      11.98859 
1 1 1 6   11 40 o 63.48208 4.087028 200.2727       25.26104 210.1534       29.71130 174.5000       47.98529 64.87653 4.710823 57.66734 8.777585 7.209183       9.961820 
1 1 1 6   11 41 o 110.1277 3.444688 599.2875       37.08672 617.2350       49.91898 577.1773       55.40625 111.3570 4.589587 107.3819 5.287604 3.975098       7.001648 
1 1 1 6   11 42 o 18.94820 7.358095 12.35983       19.54055 23.98592       20.95310 -65.25000      54.13646 22.50350 7.799178 20.11357 9.633597 2.389923       12.39489 
1 1 1 6   11 43 o 24.80395 7.055855 32.29318       17.94392 20.14320       21.71256 58.46972       31.86980 21.52596 7.885880 32.82259 9.424831 -11.29663      12.28880 
1 1 1 6   11 44 o 30.49140 6.310347 48.91327       18.21257 54.83525       22.85863 38.61920       30.13773 31.99713 7.439806 27.48403 9.359666 4.513103       11.95634 
1 1 1 6   11 45 o 43.75954 4.681266 97.08550       19.74013 102.3495       24.87129 88.12461       32.45020 44.52750 5.847609 40.15308 8.520507 4.374424       10.33410 
1 1 1 6   11 46 o 14.55526 6.296643 -0.6233335     16.47172 -12.98883      19.96436 25.74022       29.15086 13.87231 6.384341 24.03301 9.072380 -10.16069      11.09360 
1 1 1 6   11 47 o 12.45993 5.821081 -15.25804      17.56807 -21.29000      23.02256 -6.849369      27.18241 13.99762 6.579094 17.44038 7.792776 -3.442759      10.19862 
1 1 1 6   11 48 o 35.73669 5.306454 66.27241       17.99927 73.96395       22.93206 53.93072       29.04849 37.29348 6.519308 30.94029 9.032112 6.353186       11.13914 
1 1 1 6   11 49 o 40.83133 4.781904 85.43589       18.75013 92.69866       24.36695 74.89273       29.35861 41.98955 6.107536 36.60584 8.375565 5.383713       10.36591 
1 1 1 6   11 50 o 44.20213 4.539639 99.71859       19.36248 92.43447       24.75898 111.1879       31.06795 41.79676 6.242840 45.36596 7.239615 -3.569202      9.559554 
1 1 1 6   11 51 o 18.77254 7.138392 14.76085       18.12543 26.42000       24.56761 0.8339728      26.85073 23.10427 8.400008 18.33544 7.984708 4.768827       11.58947 
1 1 1 6   11 52 o 31.12406 7.214488 53.72906       21.54954 62.23000       28.16218 41.72000       33.47244 32.84518 8.643913 27.45760 9.828121 5.387585       13.08851 
1 1 1 6   11 53 o 65.84675 4.181579 220.1709       26.81214 217.3000       39.79300 222.5580       36.28546 63.86007 6.454573 65.17783 5.746353 -1.317760      8.641880 
1 1 1 6   11 54 o 19.80913 8.648852 2.838446       31.67827 8.974000       42.22263 -5.063000      47.91503 22.97139 10.00803 22.44871 10.16065 0.5226860      14.26182 
1 1 1 6   11 55 o 31.45841 7.701397 56.03045       23.52029 103.7000       45.12055 38.24417       27.56109 40.51498 11.06684 26.14324 8.949513 14.37174       14.23267 
1 1 1 6   11 56 o 29.25645 6.634231 47.16638       18.55939 42.81286       24.67826 52.83444       28.15864 27.32765 8.407297 30.00432 8.928286 -2.676672      12.26364 
1 1 1 6   11 57 o 20.67136 7.239650 21.92080       18.07996 22.30559       24.33232 21.44646       27.01552 21.73100 8.269047 21.98637 8.618851 -0.2553673     11.94411 
1 1 1 6   11 58 o 33.44106 6.091148 60.48218       19.20383 51.10484       26.37878 71.05615       28.01133 29.54144 8.602317 35.02480 8.298612 -5.483358      11.95269 
1 1 1 6   11 59 o 30.30578 6.554051 50.87879       18.87532 53.54662       26.05358 47.93164       27.38352 30.12120 8.479536 28.42239 8.874870 1.698814       12.27460 
1 1 1 6   11 60 o 22.69392 7.336338 28.77125       18.57612 22.43413       26.28007 35.09925       26.26115 21.78259 8.511944 24.81168 8.722467 -3.029097      12.18748 
1 1 1 6   12 0  o 246.7157 6.967088 2985.167       168.0812 2924.000       235.2076 3049.000       240.2790 243.9173 9.871902 249.0844 9.874716 -5.167130      13.96297 
1 1 1 6   12 1  o 171.0034 4.318426 1432.767       72.22522 1347.000       122.0087 1479.036       89.61371 165.6044 7.546678 173.6969 5.276915 -8.092514      9.208592 
1 1 1 6   12 2  o 267.1121 5.265524 3494.477       137.6706 3392.052       191.6588 3603.661       197.8817 262.9664 7.453506 271.0501 7.465581 -8.083679      10.54939 
1 1 1 6   12 3  o 358.0824 7.888975 6285.873       276.5093 6515.000       490.1484 6178.915       334.8854 363.6708 13.79434 354.7458 9.653317 8.924988       16.83658 
1 1 1 6   12 4  o 363.8190 9.811780 6499.729       349.0942 6130.000       474.4957 6936.000       515.4282 352.7368 13.76925 375.1917 14.05975 -22.45493      19.67915 
1 1 1 6   12 5  o 462.3785 12.33332 10514.88       557.6938 9582.000       737.5966 11760.00       852.1428 440.3593 17.14495 487.7147 17.88035 -47.35538      24.77208 
1 1 1 6   12 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   12 7  o 494.3586 9.266803 11990.92       448.4131 12150.00       902.5910 11938.79       516.6874 495.3939 18.64705 493.0757 10.70553 2.318207       21.50164 
1 1 1 6   12 8  o 512.8901 11.09890 12922.68       557.1993 12230.00       926.5002 13315.17       697.4176 496.7849 19.08885 519.9307 13.71579 -23.14578      23.50546 
1 1 1 6   12 9  o 692.1846 14.89900 23616.02       1009.451 22460.00       1683.586 24264.88       1261.322 669.8873 25.72380 700.0857 18.42240 -30.19836      31.64014 
1 1 1 6   12 10 o 303.3358 6.806586 4510.446       202.0967 0.000000       0.000000 4510.446       202.0967 ?        ?        303.3358 6.806586 ?              ?        
1 1 1 6   12 11 o 376.5813 7.161829 6954.033       263.9909 6733.000       514.5070 7033.017       307.5627 369.2190 14.26326 378.5880 8.299665 -9.368988      16.50227 
1 1 1 6   12 12 o 78.17049 3.063758 299.6380       23.39708 259.6000       44.81770 314.6378       27.43190 72.49053 6.381362 80.08309 3.508035 -7.592560      7.282039 
1 1 1 6   12 13 o 363.0025 6.928232 6463.072       246.1718 6297.000       481.2202 6521.936       286.4964 356.9013 13.80095 364.5161 8.029643 -7.614838      15.96688 
1 1 1 6   12 14 o 267.9518 5.287565 3518.770       138.6815 3384.000       267.8948 3568.107       162.0908 262.0369 10.46574 269.7589 6.138698 -7.722046      12.13324 
1 1 1 6   12 15 o 264.9824 5.241854 3441.618       135.9590 3326.000       262.9751 3483.796       158.8338 259.7237 10.36501 266.5313 6.088193 -6.807617      12.02080 
1 1 1 6   12 16 o 359.8009 6.882604 6353.960       242.3937 6213.000       474.2494 6403.805       282.0121 354.0320 13.71134 361.0317 7.980245 -6.999725      15.86459 
1 1 1 6   12 17 f 220.5186 4.535805 2383.202       97.90522 2333.000       189.2138 2401.557       114.4121 217.5807 8.903164 221.3124 5.281533 -3.731628      10.35186 
1 1 1 6   12 18 o 96.54801 3.525686 457.2215       33.26314 442.7000       52.11477 467.2041       43.20927 94.83348 5.639737 97.52759 4.538746 -2.694107      7.239257 
1 1 1 6   12 19 o 145.4847 4.150940 1038.091       59.05083 0.000000       0.000000 1038.091       59.05083 ?        ?        145.4847 4.150940 ?              ?        
1 1 1 6   12 20 o 124.0894 3.306577 754.8279       40.12662 882.8000       78.19221 709.0776       46.75229 133.9742 5.977657 120.2227 3.978402 13.75151       7.180533 
1 1 1 6   12 21 o 31.67053 8.562962 51.05474       27.17630 0.000000       0.000000 51.05474       27.17630 ?        ?        31.67053 8.562962 ?              ?        
1 1 1 6   12 22 o 235.3983 5.498961 2719.796       126.7039 2736.425       154.0312 2685.000       222.8192 235.8622 6.678542 232.9598 9.793440 2.902374       11.85388 
1 1 1 6   12 23 o 152.7628 4.810472 1145.915       71.84059 1145.915       71.84059 0.000000       0.000000 152.7628 4.810472 ?        ?        ?              ?        
1 1 1 6   12 24 o 225.6330 4.642980 2497.357       102.5429 2378.512       137.2249 2647.635       154.3089 219.8829 6.382565 231.9186 6.804859 -12.03575      9.329697 
1 1 1 6   12 25 o 186.2335 5.778863 1705.489       105.2157 1644.000       142.1474 1780.000       156.4776 182.4498 7.978858 189.7586 8.445667 -7.308853      11.61858 
1 1 1 6   12 26 o 160.8747 5.374805 1272.553       84.51746 1389.000       120.5550 1160.000       118.5224 167.7483 7.360026 153.1598 7.932901 14.58850       10.82132 
1 1 1 6   12 27 f 207.3386 5.120188 2111.376       103.9136 2349.000       187.6569 2006.291       124.7929 217.7702 8.821851 201.8293 6.324641 15.94090       10.85477 
1 1 1 6   12 28 o 255.5567 5.983186 3213.319       149.6670 3285.000       259.4891 3177.585       183.2127 256.8469 10.34255 253.6759 7.386404 3.171036       12.70934 
1 1 1 6   12 29 o 123.9019 4.056067 754.1934       49.12514 710.0000       78.89779 782.1742       62.77923 119.8048 6.755342 126.0447 5.098969 -6.239922      8.463696 
1 1 1 6   12 30 o 188.7570 4.758925 1752.339       87.85604 1617.000       138.6616 1843.111       113.5589 180.5451 7.865159 193.3076 6.008883 -12.76248      9.897848 
1 1 1 6   12 31 o 131.9481 5.173084 858.4415       66.68320 0.000000       0.000000 858.4415       66.68320 ?        ?        131.9481 5.173084 ?              ?        
1 1 1 6   12 32 f 90.72794 3.716293 404.9631       32.93343 400.1000       47.49579 409.4665       45.70558 89.91779 5.421576 91.01604 5.151357 -1.098251      7.478634 
1 1 1 6   12 33 o 123.1348 3.374791 745.1852       40.63723 760.0830       54.91413 727.1508       60.41888 124.1535 4.526333 121.3074 5.099752 2.846085       6.818737 
1 1 1 6   12 34 o 98.46079 3.333700 476.8842       32.08258 476.1299       41.87124 477.9566       49.92789 98.20485 4.366809 98.21338 5.212238 -0.8529663E-02 6.799738 
1 1 1 6   12 35 o 77.70892 4.456739 298.9178       33.75740 360.6000       57.05219 265.6896       41.87415 84.73193 6.939645 72.92543 5.917043 11.80650       9.119762 
1 1 1 6   12 36 o 118.7615 4.187776 696.8229       48.60545 831.5000       86.81231 635.3269       58.66212 128.7307 6.914964 113.0665 5.315387 15.66413       8.721816 
1 1 1 6   12 37 o 72.05204 3.612412 256.5132       25.39582 258.6859       32.38661 253.0444       40.92295 72.14364 4.610414 70.99129 5.943700 1.152344       7.522200 
1 1 1 6   12 38 o 58.01568 4.031437 167.1037       22.75105 145.3700       27.81114 211.0734       39.55744 53.79012 5.353122 64.61434 6.335873 -10.82422      8.294528 
1 1 1 6   12 39 o 22.06148 7.374427 23.51999       18.70884 27.10466       20.87333 8.875000       42.19020 23.51824 7.787356 24.55574 10.33061 -1.037502      12.93694 
1 1 1 6   12 40 o 60.35646 4.492317 181.8133       26.34965 182.6346       28.74914 177.5000       65.88239 60.38147 4.906485 56.37766 12.28654 4.003803       13.22999 
1 1 1 6   12 41 o 73.38515 4.123310 267.8190       29.49919 266.3812       33.08160 273.4000       65.17611 73.02989 4.652039 71.79900 9.507367 1.230896       10.58449 
1 1 1 6   12 42 o 120.6184 3.511055 719.9835       41.40901 775.2991       56.67094 656.6187       60.65413 124.6545 4.652742 114.3023 5.436834 10.35228       7.155919 
1 1 1 6   12 43 o 50.80932 4.302639 129.4370       21.19757 123.9482       26.78405 138.6380       34.67812 49.28859 5.653910 51.61185 7.048320 -2.323254      9.035790 
1 1 1 6   12 44 o 54.94115 4.134113 151.2593       22.06932 163.5851       28.86043 133.9019       34.24801 56.75208 5.255023 50.52789 7.121971 6.224190       8.850861 
1 1 1 6   12 45 o 26.22686 7.136430 36.97720       18.80463 47.44711       24.26184 21.22424       29.76003 29.45899 8.142473 23.22087 9.062620 6.238119       12.18322 
1 1 1 6   12 46 o 60.27628 4.333868 183.0835       25.39917 226.6000       38.03040 148.0442       34.12572 66.30030 5.922452 53.09872 6.715825 13.20158       8.954203 
1 1 1 6   12 47 f 31.15368 6.140065 51.51163       18.05754 63.96767       22.83553 30.72414       29.50000 34.45395 7.010022 25.08947 9.191818 9.364471       11.55984 
1 1 1 6   12 48 f 61.66806 3.666679 190.4414       22.03303 172.2394       28.40867 217.9175       34.90345 58.04660 5.050194 65.07112 5.532317 -7.024521      7.490727 
1 1 1 6   12 49 o 14.97673 6.363489 2.066986       16.27186 4.500878       21.27994 -1.359696      25.24972 17.31638 7.313687 17.54576 7.689617 -0.2293816     10.61227 
1 1 1 6   12 50 o 54.62382 3.989455 150.6401       21.18346 161.0589       27.82185 136.2685       32.67609 55.94103 5.138355 50.51944 6.778852 5.421589       8.506206 
1 1 1 6   12 51 o 76.36723 3.834391 293.5141       28.57051 274.8875       34.73146 332.5000       50.24685 73.28300 4.869496 79.28019 6.532893 -5.997185      8.148048 
1 1 1 6   12 52 o 14.06511 6.248713 -3.757858      17.22098 -10.98668      22.53996 6.378863       26.69121 14.98084 6.853254 19.11121 8.136195 -4.130371      10.63789 
1 1 1 6   12 53 o 19.07003 7.914305 9.820651       24.26453 10.37000       28.00007 8.164000       48.62400 20.11675 8.436535 24.00373 10.58988 -3.886982      13.53960 
1 1 1 6   12 54 o 50.54085 4.917394 132.0928       24.01953 177.2000       37.52470 100.7825       31.26353 57.27219 6.828030 42.40048 7.820947 14.87171       10.38216 
1 1 1 6   12 55 o 18.21790 7.312647 11.49599       19.88791 26.71000       30.62042 0.3951102      26.15581 23.72157 9.211139 17.85361 7.825403 5.867962       12.08644 
1 1 1 6   12 56 o 24.87917 7.735075 34.62164       20.82570 12.85000       31.95132 50.70294       27.46020 21.35392 8.987232 29.43667 8.830561 -8.082752      12.59957 
1 1 1 6   12 57 o 30.93630 7.826416 54.82580       23.71326 77.64000       47.42276 47.21946       27.38244 34.40028 11.74030 28.38671 8.876345 6.013573       14.71815 
1 1 1 6   12 58 o 47.24302 5.636220 118.1742       25.54998 107.2000       48.70259 122.3414       30.01144 40.15420 11.68748 47.40761 6.650060 -7.253410      13.44695 
1 1 1 6   12 59 o 20.42472 7.365346 21.19971       18.83837 22.29896       26.81632 20.12866       26.47001 21.93507 8.590486 21.40978 8.488407 0.5252838      12.07682 
1 1 1 6   12 60 o 24.83771 7.875177 35.57456       21.48261 32.26735       29.14333 39.51000       31.79105 24.27706 9.091060 26.06221 9.543063 -1.785154      13.18019 
1 1 1 6   13 0  f 211.9756 6.185565 2203.406       128.2056 2159.000       180.1248 2249.000       182.5190 209.6165 8.798498 213.9545 8.733619 -4.338013      12.39716 
1 1 1 6   13 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   13 2  o 668.6349 12.43720 21978.92       813.9875 23010.00       1682.096 21663.64       930.1477 678.9039 25.35713 663.3362 14.32557 15.56775       29.12398 
1 1 1 6   13 3  o 281.2081 6.353099 3874.795       174.8718 4054.000       311.9597 3792.682       211.1685 287.0721 11.12305 278.0229 7.767267 9.049194       13.56660 
1 1 1 6   13 4  o 392.8684 10.55402 7584.564       405.4876 7160.000       551.2825 8085.000       598.5176 380.9531 14.81238 404.7785 15.13278 -23.82535      21.17564 
1 1 1 6   13 5  o 67.09902 5.000818 221.7391       32.60838 0.000000       0.000000 221.7391       32.60838 ?        ?        67.09902 5.000818 ?              ?        
1 1 1 6   13 6  o 540.0981 11.66938 14338.47       616.9172 14100.00       1053.895 14462.78       760.9053 532.9112 20.24075 541.6452 14.36458 -8.734009      24.81993 
1 1 1 6   13 7  o 253.7068 5.855851 3153.831       145.4214 3137.000       249.0932 3162.533       179.1135 252.5441 10.09706 253.8793 7.214985 -1.335297      12.40994 
1 1 1 6   13 8  o 426.8862 9.337505 8946.339       390.1658 0.000000       0.000000 8946.339       390.1658 ?        ?        426.8862 9.337505 ?              ?        
1 1 1 6   13 9  o 193.2619 4.106200 1829.149       77.67704 1910.000       158.1685 1803.452       89.17107 197.1264 8.215269 191.8787 4.747784 5.247696       9.488524 
1 1 1 6   13 10 o 329.0935 6.333862 5309.277       204.0300 5447.000       413.6996 5265.012       234.5375 332.2568 12.74415 327.6283 7.313490 4.628571       14.69355 
1 1 1 6   13 11 o 211.3352 4.373809 2187.709       90.47693 2436.000       191.3681 2116.231       102.6776 222.5447 8.802452 207.8248 5.047451 14.71994       10.14692 
1 1 1 6   13 12 o 140.0276 3.389793 960.1599       46.46148 855.4000       86.56982 1002.543       55.06368 131.8906 6.727967 143.0169 3.937179 -11.12631      7.795314 
1 1 1 6   13 13 o 148.6916 3.479374 1082.741       50.64001 1106.000       100.3024 1074.784       58.66590 149.9885 6.850073 148.0723 4.051483 1.916122       7.958518 
1 1 1 6   13 14 f 372.5646 7.103682 6812.973       259.0546 6966.000       523.5806 6763.368       298.0993 374.8136 14.29746 371.0261 8.208243 3.787537       16.48614 
1 1 1 6   13 15 o 120.8928 3.217129 716.2531       38.03550 602.8000       68.18016 767.5150       45.82977 110.6632 6.320605 125.1180 3.746373 -14.45487      7.347473 
1 1 1 6   13 16 o 121.5545 3.252178 724.1734       38.65995 703.1000       71.83809 732.7645       45.86832 119.5465 6.159969 122.2397 3.838247 -2.693123      7.257917 
1 1 1 6   13 17 o 108.9316 3.812755 582.0682       40.59092 0.000000       0.000000 582.0682       40.59092 ?        ?        108.9316 3.812755 ?              ?        
1 1 1 6   13 18 o 481.2373 9.088020 11406.99       428.0897 11030.00       830.4943 11543.40       499.5729 468.4580 18.14604 483.5692 10.55441 -15.11121      20.99225 
1 1 1 6   13 19 o 376.8693 7.206000 6981.561       265.8222 7059.000       531.3506 6955.709       307.0016 376.2226 14.45569 375.8922 8.343939 0.3303833      16.69097 
1 1 1 6   13 20 o 385.9462 7.381124 7325.862       278.8402 6880.000       528.6189 7497.746       328.2163 371.1239 14.58020 390.1081 8.595458 -18.98419      16.92525 
1 1 1 6   13 21 o 444.7216 9.751483 9767.911       424.4877 9073.000       694.5790 10182.19       536.2947 424.5794 16.74592 452.7896 12.11131 -28.21014      20.66663 
1 1 1 6   13 22 o 110.5066 4.441027 599.8120       47.93938 538.7000       58.78899 721.1000       82.82119 104.5815 5.765255 120.8803 7.030040 -16.29883      9.091735 
1 1 1 6   13 23 o 78.41552 4.053104 302.2688       31.00414 283.7000       43.62174 321.2252       44.07473 75.76517 5.929223 80.68627 5.615685 -4.921104      8.166492 
1 1 1 6   13 24 o 204.1337 4.930544 2045.011       98.51804 2071.754       119.4094 1988.000       174.3472 205.2510 5.949845 200.4559 8.907916 4.795105       10.71222 
1 1 1 6   13 25 o 316.0751 7.092531 4919.476       219.4309 5084.460       273.1078 4619.000       368.5681 320.7202 8.707705 304.1238 12.40720 16.59634       15.15793 
1 1 1 6   13 26 o 263.8389 5.267416 3419.491       136.0325 3459.689       191.7447 3378.756       193.0196 264.8071 7.404814 261.6490 7.544490 3.158142       10.57122 
1 1 1 6   13 27 o 272.0405 6.301646 3642.719       167.8007 4117.000       310.9639 3447.882       199.3091 287.3002 11.07854 264.1802 7.715891 23.12000       13.50070 
1 1 1 6   13 28 o 231.5841 4.754127 2634.425       107.7670 2734.837       153.1527 2535.949       151.6692 235.4522 6.651982 226.6694 6.843780 8.782806       9.543909 
1 1 1 6   13 29 o 178.5623 4.661428 1567.745       81.40356 1509.000       133.6778 1602.368       102.6260 174.4391 7.849157 180.2914 5.822994 -5.852249      9.773255 
1 1 1 6   13 30 o 140.9283 4.043471 976.1760       55.71979 892.8000       84.13020 1041.327       74.36892 134.3297 6.416992 145.3521 5.235690 -11.02248      8.281921 
1 1 1 6   13 31 o 93.78355 4.042598 432.9894       37.02306 458.8000       60.64560 417.6553       46.74452 96.11156 6.484357 91.92461 5.216496 4.186951       8.322183 
1 1 1 6   13 32 o 115.1945 3.260928 651.9563       36.73178 626.1313       48.03160 688.3348       57.00713 112.7155 4.361721 118.0757 4.943384 -5.360207      6.592546 
1 1 1 6   13 33 o 90.88668 3.709871 406.8319       32.93453 392.6000       46.36520 421.3262       46.79064 88.97733 5.348303 92.21725 5.204836 -3.239929      7.462885 
1 1 1 6   13 34 o 80.93934 4.363496 323.9331       34.44228 301.8000       40.47762 382.0000       65.56281 77.91629 5.339661 86.99810 7.781198 -9.081810      9.437108 
1 1 1 6   13 35 o 192.6622 4.901445 1837.224       92.35791 1851.000       152.8558 1829.303       115.9080 191.4884 8.173980 191.6106 6.188105 -0.1221771     10.25215 
1 1 1 6   13 36 o 98.60435 3.363586 479.1695       32.41668 484.0222       42.12948 472.1266       50.75394 98.87000 4.364019 97.36310 5.346126 1.506897       6.901139 
1 1 1 6   13 37 o 75.88425 4.581856 286.2262       33.87437 316.6000       56.80195 269.4617       42.19962 78.86497 7.446382 73.23638 5.937631 5.628593       9.523868 
1 1 1 6   13 38 o 142.6810 5.234512 1014.872       72.98134 1105.000       105.6801 932.7000       100.9076 147.6068 7.337434 135.3796 7.645985 12.22726       10.59712 
1 1 1 6   13 39 o 53.01989 4.143719 140.0263       21.33410 138.2852       25.81302 143.7791       37.89648 52.45525 5.091364 52.70099 7.562799 -0.2457466     9.116902 
1 1 1 6   13 40 o 62.34192 4.258031 193.6184       25.82737 188.2410       28.25834 220.9000       63.64962 61.33615 4.743618 63.97517 10.53038 -2.639019      11.54949 
1 1 1 6   13 41 o 42.30052 5.905632 91.62234       23.78663 91.62234       23.78663 0.000000       0.000000 42.30052 5.905632 ?        ?        ?              ?        
1 1 1 6   13 42 o 16.47054 6.775527 5.268420       17.57310 10.58413       20.77992 -8.078573      32.92721 18.84292 7.504600 19.40378 8.629347 -0.5608616     11.43611 
1 1 1 6   13 43 f 49.87409 4.457283 125.1129       21.53051 140.0289       27.16797 99.92683       35.30303 52.48064 5.364100 42.92756 8.700057 9.553089       10.22079 
1 1 1 6   13 44 o 14.92993 6.548007 -2.860376      18.33917 -5.471584      23.25335 1.436323       29.82856 16.39158 7.272888 19.67409 8.492093 -3.282515      11.18081 
1 1 1 6   13 45 o 56.68645 4.622741 162.5595       25.42735 177.5000       37.38056 149.6927       34.68946 58.26386 6.674872 53.39505 6.790694 4.868813       9.521945 
1 1 1 6   13 46 o 16.67536 6.730025 7.742065       16.94430 2.384763       21.26813 17.05145       28.03604 16.98372 7.247615 21.86754 8.714393 -4.883821      11.33440 
1 1 1 6   13 47 o 31.14289 6.055819 51.44816       17.79535 50.76068       22.70697 52.54254       28.64925 30.38151 7.643376 30.57616 8.982011 -0.1946545     11.79397 
1 1 1 6   13 48 o 75.27907 3.408284 282.7834       25.04888 254.4475       32.61533 323.5323       39.11206 70.76718 4.735771 79.64114 5.043165 -8.873962      6.918167 
1 1 1 6   13 49 o 28.98118 6.469442 45.37923       17.88699 61.01901       23.44802 23.61060       27.66346 33.31945 7.383816 22.99192 8.800306 10.32753       11.48765 
1 1 1 6   13 50 o 36.89850 5.657524 71.56985       19.78271 95.70041       24.80413 29.39000       32.79389 42.53385 6.134886 24.94454 9.573096 17.58931       11.37018 
1 1 1 6   13 51 o 15.02476 6.439217 1.499128       16.91929 13.83588       22.15771 -15.75300      26.20269 19.46473 7.750336 15.67373 7.249254 3.791000       10.61223 
1 1 1 6   13 52 o 26.54225 7.738797 39.60004       21.33661 38.19017       23.82973 45.30000       47.91435 26.07908 8.297257 29.03851 11.44943 -2.959431      14.13980 
1 1 1 6   13 53 o 16.11088 6.699896 5.625482       17.43981 -13.67523      23.07418 31.34163       26.63438 14.78313 6.825068 24.37498 8.761847 -9.591859      11.10637 
1 1 1 6   13 54 o 31.51041 6.417737 54.15329       19.12122 92.14392       26.73025 14.34022       27.36387 41.05625 6.895682 20.66353 8.472673 20.39272       10.92413 
1 1 1 6   13 55 o 31.26644 6.449076 53.44854       19.08153 90.74514       26.44160 12.91809       27.56410 40.72006 6.878735 20.41071 8.449789 20.30935       10.89568 
1 1 1 6   13 56 o 16.74053 6.927324 7.024543       18.51484 18.02195       25.73531 -4.774573      26.65686 21.02703 8.359080 17.18510 7.695100 3.841930       11.36172 
1 1 1 6   13 57 o 32.31507 7.147597 58.48648       22.00822 61.98000       36.40351 56.47409       27.62917 31.66183 10.27286 30.93196 8.740671 0.7298660      13.48818 
1 1 1 6   13 58 o 25.45485 7.884616 36.99105       21.66142 90.09000       36.77948 8.791183       26.80317 38.24359 9.785913 19.31509 8.185329 18.92850       12.75789 
1 1 1 6   13 59 o 25.25706 8.430797 36.81104       24.45407 0.5456000      38.05477 62.32000       31.91604 20.54155 9.196409 31.70319 9.522282 -11.16164      13.23812 
1 1 1 6   13 60 o 45.06262 6.201437 110.7488       26.62904 129.0000       50.15288 103.5835       31.42447 43.38953 11.58950 42.28929 7.881457 1.100243       14.01549 
1 1 1 6   14 0  o 337.4045 6.474164 5579.224       213.8163 5968.000       448.1471 5464.641       243.2930 347.9676 13.18140 333.8480 7.445170 14.11957       15.13869 
1 1 1 6   14 1  o 500.2830 10.85341 12296.74       531.4814 13430.00       978.7627 11822.85       632.9241 520.3317 19.25042 489.9179 13.21048 30.41376       23.34728 
1 1 1 6   14 2  o 423.2162 11.34734 8809.913       469.6459 9215.000       685.2087 8451.000       644.9750 431.7248 16.24370 413.4867 15.96585 18.23810       22.77644 
1 1 1 6   14 3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   14 4  o 241.4911 5.640068 2857.350       133.3188 3424.000       258.9327 2652.943       155.5168 263.8455 10.04442 232.5318 6.840077 31.31367       12.15224 
1 1 1 6   14 5  o 606.0991 11.31588 18063.06       671.3336 20340.00       1462.411 17455.12       755.6611 637.8791 23.46203 595.3781 12.96666 42.50104       26.80674 
1 1 1 6   14 6  o 271.2421 6.203741 3606.047       164.7089 4231.000       315.8591 3372.638       193.0316 293.1367 11.02788 262.1179 7.531407 31.01877       13.35426 
1 1 1 6   14 7  o 447.0543 11.98951 9845.259       524.1743 0.000000       0.000000 9845.259       524.1743 ?        ?        447.0543 11.98951 ?              ?        
1 1 1 6   14 8  o 291.3076 6.597736 4160.918       188.1278 4560.000       344.1693 3990.870       224.6612 304.1526 11.58160 285.0494 8.060052 19.10315       14.11021 
1 1 1 6   14 9  o 164.8464 4.261693 1331.936       68.70738 1431.000       123.4712 1287.500       82.69320 170.6215 7.410754 162.0100 5.221428 8.611542       9.065461 
1 1 1 6   14 10 o 232.8344 4.725346 2656.079       107.6929 3030.000       232.5806 2554.031       121.5029 248.0819 9.596039 228.2777 5.437720 19.80418       11.02963 
1 1 1 6   14 11 o 208.6773 4.337154 2133.301       88.59032 2110.000       174.3585 2141.409       102.8563 207.0584 8.621749 209.0384 5.026879 -1.980042      9.980184 
1 1 1 6   14 12 o 181.0397 3.913779 1605.458       69.35476 1666.000       139.9631 1585.754       79.84701 184.0237 7.787835 179.8414 4.539521 4.182266       9.014301 
1 1 1 6   14 13 o 113.6095 3.166176 632.5696       35.17485 579.5000       66.56372 653.1309       41.43232 108.5025 6.294486 115.4154 3.672165 -6.912949      7.287341 
1 1 1 6   14 14 o 100.9500 3.123837 499.5553       30.83031 459.9000       57.92052 515.2326       36.41815 96.62239 6.156206 102.4947 3.635789 -5.872322      7.149673 
1 1 1 6   14 15 o 114.4957 3.189012 642.5461       35.70495 633.5000       67.99607 645.9901       41.95457 113.4549 6.145803 114.7703 3.739586 -1.315407      7.194123 
1 1 1 6   14 16 o 121.2109 3.256516 720.1404       38.60178 724.3000       73.07633 718.5306       45.46223 121.3235 6.173844 121.0393 3.842100 0.2842484      7.271731 
1 1 1 6   14 17 o 83.50225 3.190942 342.0240       26.03295 351.0000       48.35636 338.3608       30.89167 84.36637 5.892737 83.01283 3.811982 1.353546       7.018230 
1 1 1 6   14 18 o 71.21338 3.255759 248.9435       22.63443 209.2000       39.32577 268.6314       27.67864 64.97198 6.261098 73.94057 3.837464 -8.968590      7.343533 
1 1 1 6   14 19 o 169.9297 3.812054 1415.114       63.40660 1556.000       128.6435 1369.904       72.87330 177.7083 7.411878 167.0932 4.459558 10.61513       8.650064 
1 1 1 6   14 20 o 159.2141 4.179223 1243.575       65.07399 1269.000       110.3070 1230.003       80.59192 160.4874 7.039043 158.2379 5.210356 2.249466       8.757622 
1 1 1 6   14 21 o 35.66508 7.960511 65.11053       27.08514 0.000000       0.000000 65.11053       27.08514 ?        ?        35.66508 7.960511 ?              ?        
1 1 1 6   14 22 o 93.31161 4.823419 428.3327       43.90565 0.000000       0.000000 428.3327       43.90565 ?        ?        93.31161 4.823419 ?              ?        
1 1 1 6   14 23 o 216.9362 5.179449 2310.243       109.9820 2420.249       136.1905 2104.000       186.4782 221.7957 6.279498 206.1391 9.265586 15.65659       11.19300 
1 1 1 6   14 24 o 145.7688 3.586968 1041.566       51.17976 1113.945       69.93507 958.1052       75.09870 150.5852 4.750619 139.5506 5.508693 11.03459       7.274206 
1 1 1 6   14 25 o 352.4952 6.796203 6118.618       234.4908 6088.631       328.6431 6149.716       334.6794 350.4413 9.589843 352.1348 9.719173 -1.693481      13.65384 
1 1 1 6   14 26 o 117.5388 3.280396 677.7060       37.70410 665.8564       49.10236 694.7312       58.85668 116.4072 4.316875 118.8185 5.072312 -2.411316      6.660613 
1 1 1 6   14 27 f 182.9245 4.004785 1641.873       71.70630 1667.016       98.74642 1613.824       104.2971 184.0315 5.487929 180.9894 5.895122 3.042068       8.054181 
1 1 1 6   14 28 o 111.7122 3.251418 612.4456       35.51543 630.5551       46.44053 586.9341       55.12028 113.2510 4.196631 109.1273 5.175006 4.123657       6.662762 
1 1 1 6   14 29 o 96.11977 4.026188 454.4633       37.79638 471.6000       59.61183 442.9429       48.87681 97.57254 6.274904 94.71646 5.293003 2.856079       8.209159 
1 1 1 6   14 30 o 66.26080 3.339296 215.9942       21.58816 210.8863       25.89374 227.6385       39.09583 65.38824 4.065771 67.65620 5.964609 -2.267967      7.218522 
1 1 1 6   14 31 o 96.03515 3.999194 454.1536       37.51089 458.7000       60.08106 451.2493       48.01983 96.05450 6.427173 95.53414 5.154266 0.5203552      8.238629 
1 1 1 6   14 32 o 161.0161 3.735320 1274.624       58.87127 1366.067       82.64955 1180.444       83.87712 166.2964 5.083486 154.4336 5.557816 11.86282       7.532008 
1 1 1 6   14 33 o 153.6883 3.647164 1161.793       54.86587 1219.265       75.95126 1099.073       79.34401 157.0396 4.947225 148.9283 5.452107 8.111343       7.362100 
1 1 1 6   14 34 o 120.5006 3.350293 714.6314       39.47813 717.0542       51.62210 711.2184       61.27061 120.4661 4.385204 119.7312 5.240730 0.7348709      6.833393 
1 1 1 6   14 35 o 83.24684 3.790150 342.2550       30.80276 341.5000       42.27917 343.1091       44.96847 82.81540 5.242567 82.91948 5.572814 -0.1040802     7.651193 
1 1 1 6   14 36 o 133.8101 4.096015 885.3741       53.58521 915.5000       83.89815 864.6179       69.63990 135.1010 6.362227 131.7283 5.412510 3.372696       8.353035 
1 1 1 6   14 37 o 111.8567 4.496556 620.9169       49.13174 580.9000       61.79248 689.7000       81.01308 107.6558 5.886371 116.7077 7.125649 -9.051865      9.242523 
1 1 1 6   14 38 o 44.94452 5.047617 101.7490       21.82260 73.19000       26.78366 158.1504       37.63946 37.33797 7.587489 55.51173 7.088627 -18.17376      10.38357 
1 1 1 6   14 39 o 124.8309 5.238477 779.1276       63.86561 779.9000       84.52588 778.1000       97.49545 123.8726 6.999691 122.9275 8.148685 0.9451523      10.74229 
1 1 1 6   14 40 o 43.16470 6.867205 96.60600       28.04350 134.1000       43.97995 70.91619       36.40443 50.00272 9.328815 36.07744 9.974915 13.92529       13.65744 
1 1 1 6   14 41 o 31.93274 8.508213 54.83356       27.07161 23.05000       41.91114 77.58820       35.46199 26.42921 10.61321 37.66856 9.593255 -11.23934      14.30632 
1 1 1 6   14 42 o 18.75499 7.536659 9.903719       21.15006 9.903719       21.15006 0.000000       0.000000 18.75499 7.536659 ?        ?        ?              ?        
1 1 1 6   14 43 o 37.54886 5.642929 72.80554       20.09908 87.59927       25.12896 46.53523       33.48639 40.94344 6.486152 29.57942 9.865510 11.36402       11.80671 
1 1 1 6   14 44 o 19.92456 7.651437 15.55309       20.95869 18.42000       28.06365 11.93743       31.51595 22.26462 8.767372 21.82309 9.034930 0.4415340      12.58955 
1 1 1 6   14 45 f 19.82626 7.090532 18.30723       17.41837 9.595551       21.65505 34.27372       29.31656 18.64368 7.577710 25.98186 9.208610 -7.338175      11.92561 
1 1 1 6   14 46 o 22.75100 6.993983 27.39721       17.08253 40.56479       21.73425 6.116909       27.62998 27.22718 7.772033 19.63496 8.315295 7.592218       11.38194 
1 1 1 6   14 47 o 37.87738 4.915732 73.80320       17.79581 61.35188       22.82708 93.09632       28.41475 33.60581 7.158877 41.55000 7.250182 -7.944191      10.18895 
1 1 1 6   14 48 o 32.37333 5.738103 55.30236       17.51724 59.02918       22.32786 49.33621       28.25043 32.89155 7.140385 29.55946 8.976276 3.332094       11.46990 
1 1 1 6   14 49 o 47.16356 4.495752 113.4580       20.50385 128.2915       25.02604 83.17000       35.76059 49.84517 5.206025 37.69701 9.651185 12.14815       10.96577 
1 1 1 6   14 50 o 16.83871 6.679288 9.613523       16.39674 22.95462       21.15501 -10.46022      25.94965 21.62001 7.803943 16.30997 7.419702 5.310043       10.76817 
1 1 1 6   14 51 o 15.51663 6.781724 -0.8218459     19.52094 -1.833700      21.30696 4.466000       48.70816 15.97728 7.030957 23.65592 10.50936 -7.678640      12.64441 
1 1 1 6   14 52 o 16.14673 6.660655 6.392789       17.04419 13.44638       22.14096 -3.867174      26.70326 19.28592 7.724511 17.39030 7.750181 1.895622       10.94227 
1 1 1 6   14 53 o 48.43692 4.358505 120.0130       20.44352 119.7791       27.58203 120.2982       30.45381 47.45604 6.077129 47.10531 6.801635 0.3507233      9.121060 
1 1 1 6   14 54 o 19.48666 7.152431 18.03323       17.87488 3.900969       24.53838 34.01020       26.09078 17.96887 7.728670 24.91581 8.698913 -6.946939      11.63630 
1 1 1 6   14 55 o 18.59453 7.175125 14.45288       18.49311 2.706628       25.60069 27.27089       26.74314 18.05231 7.829574 23.28450 8.710849 -5.232189      11.71243 
1 1 1 6   14 56 o 78.78629 4.237589 316.3793       32.55928 239.6000       54.04263 360.1279       40.79401 64.49529 8.789012 83.41243 5.019652 -18.91714      10.12144 
1 1 1 6   14 57 o 28.38407 7.131696 45.35381       19.78675 30.42511       28.08860 60.05945       27.87796 24.08460 8.943496 31.89120 8.693933 -7.806599      12.47279 
1 1 1 6   14 58 o 30.43599 7.428215 52.93889       21.93226 73.37978       29.51385 27.73000       32.77576 35.15636 8.639298 23.89620 9.454618 11.26016       12.80731 
1 1 1 6   14 59 o 33.18062 6.637738 61.44761       20.80469 94.73792       30.89327 33.82041       28.14320 40.28881 8.114722 24.54397 8.980203 15.74484       12.10342 
1 1 1 6   15 0  o 145.1182 4.039662 1032.145       57.32586 1021.000       100.2707 1037.556       69.87079 144.1135 7.130404 145.4488 4.914774 -1.335312      8.660119 
1 1 1 6   15 1  o 357.7477 7.896422 6279.481       276.5117 6463.000       488.9171 6193.176       335.2845 361.7397 13.83356 354.9294 9.659823 6.810242       16.87245 
1 1 1 6   15 2  o 403.8388 10.88122 8026.156       429.7301 0.000000       0.000000 8026.156       429.7301 ?        ?        403.8388 10.88122 ?              ?        
1 1 1 6   15 3  o 374.9584 8.272546 6900.596       303.6187 7821.000       573.1240 6541.513       357.9789 397.6792 14.74900 364.6899 10.03785 32.98929       17.84072 
1 1 1 6   15 4  o 203.0250 6.058162 2022.293       120.2570 2265.000       181.9415 1834.000       160.2538 214.6067 8.679189 193.0957 8.499525 21.51099       12.14785 
1 1 1 6   15 5  o 317.5811 7.106478 4947.195       220.9100 0.000000       0.000000 4947.195       220.9100 ?        ?        317.5811 7.106478 ?              ?        
1 1 1 6   15 6  o 169.1003 3.778613 1400.397       62.54361 1331.000       122.0861 1425.090       72.82572 164.5179 7.601909 170.5100 4.367031 -5.992157      8.766983 
1 1 1 6   15 7  o 367.8098 7.018197 6636.752       252.6708 7115.000       529.8237 6495.965       287.4658 379.1535 14.30175 363.7480 8.073823 15.40546       16.42336 
1 1 1 6   15 8  o 412.1437 7.807698 8339.035       314.9763 8534.000       639.0394 8276.471       362.0037 414.6792 15.77254 410.3844 9.011890 4.294769       18.16555 
1 1 1 6   15 9  o 220.7817 4.547205 2388.286       98.26839 2479.000       199.4390 2359.202       112.9281 224.3785 9.099645 219.3920 5.258657 4.986511       10.50985 
1 1 1 6   15 10 o 73.30551 4.128537 264.0864       29.50396 220.9000       46.70709 292.7600       38.05838 66.69006 7.272811 77.11967 5.069841 -10.42960      8.865499 
1 1 1 6   15 11 o 190.1480 4.065547 1771.339       75.66882 1862.000       153.9397 1742.454       86.89074 194.4930 8.103882 188.5586 4.707831 5.934357       9.372117 
1 1 1 6   15 12 o 182.4775 3.962174 1631.339       70.76997 1631.000       139.8074 1631.455       82.05989 182.0142 7.865842 182.3934 4.600046 -0.3792725     9.112184 
1 1 1 6   15 13 o 184.3065 3.985080 1664.339       71.89255 1745.000       145.7454 1638.401       82.64713 188.2453 7.927526 182.7713 4.623410 5.473999       9.177232 
1 1 1 6   15 14 o 269.3282 5.330651 3557.550       140.5298 3456.000       273.5770 3593.949       163.7905 264.4344 10.59095 270.6045 6.183688 -6.170074      12.26402 
1 1 1 6   15 15 o 87.36522 3.096411 374.3014       26.43725 390.4000       52.05194 368.7048       30.69048 88.98721 6.011171 86.67640 3.625405 2.310814       7.019811 
1 1 1 6   15 16 f 137.2203 3.397577 922.4207       45.63455 932.9000       88.70071 918.6485       53.21790 137.6582 6.602170 136.8576 3.976888 0.8005524      7.707418 
1 1 1 6   15 17 o 107.2099 3.792717 563.9518       39.73806 0.000000       0.000000 563.9518       39.73806 ?        ?        107.2099 3.792717 ?              ?        
1 1 1 6   15 18 o 358.3718 7.949069 6322.842       278.8408 6038.000       465.0926 6482.680       348.4002 347.9447 13.68266 362.1768 9.836802 -14.23206      16.85164 
1 1 1 6   15 19 o 321.0183 7.181189 5069.280       225.6485 5048.000       387.3742 5080.208       277.6101 318.4951 12.44971 320.8235 8.848665 -2.328400      15.27397 
1 1 1 6   15 20 o 188.4240 4.093782 1740.617       75.50349 1727.000       145.5322 1745.633       88.31957 187.0674 7.966179 188.5746 4.788715 -1.507217      9.294719 
1 1 1 6   15 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   15 22 o 272.0393 6.228760 3638.037       165.8592 3916.000       297.9487 3513.224       199.6539 280.7736 10.86173 266.9247 7.649462 13.84888       13.28501 
1 1 1 6   15 23 o 176.7215 3.914022 1531.350       67.70470 1512.840       91.70834 1553.524       100.3754 175.4265 5.347056 177.7062 5.778246 -2.279724      7.872683 
1 1 1 6   15 24 o 250.2592 5.052518 3075.697       123.7668 3299.171       179.7820 2874.371       170.6409 258.6635 7.107495 241.3922 7.230085 17.27133       10.13857 
1 1 1 6   15 25 o 100.8214 3.259281 498.7607       32.12252 523.5354       41.59148 462.1358       50.56942 103.2199 4.124869 96.82854 5.356410 6.391373       6.760597 
1 1 1 6   15 26 f 177.8826 3.936565 1552.473       68.54203 1581.448       94.27460 1519.983       99.82993 179.2623 5.378871 175.6590 5.814106 3.603287       7.920611 
1 1 1 6   15 27 o 216.7431 4.519209 2307.532       95.87687 2441.545       136.8828 2178.465       134.3339 222.4821 6.291932 210.0775 6.540775 12.40457       9.075800 
1 1 1 6   15 28 o 177.2321 3.934632 1542.134       68.25789 1548.414       93.02039 1534.809       100.4722 177.2744 5.366935 176.3876 5.827312 0.8868561      7.922219 
1 1 1 6   15 29 o 209.8755 4.413326 2165.652       90.66382 2266.590       128.6962 2066.201       127.7451 214.1663 6.145508 204.3908 6.393092 9.775436       8.867857 
1 1 1 6   15 30 o 127.2843 3.891528 796.8953       48.42739 717.2000       71.15421 865.6673       66.09827 120.3105 6.061672 132.4327 5.108624 -12.12222      7.927289 
1 1 1 6   15 31 o 98.74563 3.169565 479.2148       30.59573 473.8415       38.47713 488.4544       50.45546 98.06564 4.016982 99.34462 5.206866 -1.278976      6.576291 
1 1 1 6   15 32 o 166.4531 3.797138 1363.170       61.86635 1376.553       84.33304 1347.576       91.03532 166.8161 5.171044 164.8799 5.649081 1.936203       7.658447 
1 1 1 6   15 33 o 108.5930 3.217561 580.1539       34.16296 562.9107       43.44442 608.0927       55.30061 106.7777 4.164673 110.7447 5.115349 -3.967072      6.596310 
1 1 1 6   15 34 o 110.1506 3.275136 597.3600       35.27281 625.4686       46.20290 558.0894       54.61141 112.5005 4.203129 105.9592 5.282143 6.541374       6.750358 
1 1 1 6   15 35 o 76.05757 3.537328 285.6599       26.26230 278.5169       29.60989 312.0000       56.85987 74.99474 4.048675 78.31590 7.509257 -3.321167      8.531161 
1 1 1 6   15 36 o 35.07581 5.283235 62.50922       17.57655 60.70576       19.08846 72.56000       45.06263 34.41283 5.877779 36.88094 11.36334 -2.468105      12.79351 
1 1 1 6   15 37 o 34.66831 5.283206 61.18600       17.36234 62.16465       19.81888 57.95604       36.00509 34.75749 6.044741 33.10684 10.14948 1.650650       11.81316 
1 1 1 6   15 38 o 54.23241 5.097440 147.8284       26.74208 146.6000       29.86352 152.8000       60.07982 53.81158 5.759146 52.36765 11.98117 1.443932       13.29346 
1 1 1 6   15 39 o 31.88334 6.492937 53.05501       19.57409 43.28000       23.46863 75.39716       35.48064 28.61541 8.045167 37.26738 9.650827 -8.651966      12.56436 
1 1 1 6   15 40 o 40.04041 5.450916 81.75464       20.80939 71.36000       25.58309 102.0794       35.77345 36.77979 7.363278 43.66834 8.675137 -6.888550      11.37875 
1 1 1 6   15 41 o 50.89205 4.733605 130.4008       23.30989 119.2000       29.39141 149.3894       38.26872 48.08287 6.403960 53.44062 7.523889 -5.357754      9.880263 
1 1 1 6   15 42 o 24.06151 8.689812 27.04860       26.23471 34.07000       41.30724 22.30163       33.96430 27.94150 10.73874 24.47911 9.643381 3.462391       14.43314 
1 1 1 6   15 43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   15 44 o 29.38319 7.955561 47.31847       23.43817 16.14000       33.89645 75.88286       32.44436 23.04943 9.438063 36.78066 9.069775 -13.73123      13.08961 
1 1 1 6   15 45 o 55.72335 3.857303 155.8047       20.90926 156.5860       26.00994 154.3773       35.15513 55.47750 4.838139 54.11810 6.785256 1.359398       8.333504 
1 1 1 6   15 46 o 16.43134 6.536739 8.500576       15.74825 21.50846       19.34481 -17.05949      27.11703 21.08913 7.479748 15.99264 7.388938 5.096492       10.51394 
1 1 1 6   15 47 o 22.51883 6.798705 27.03104       16.23919 36.82156       20.58021 10.87755       26.43505 25.95280 7.609741 20.11699 8.296395 5.835808       11.25781 
1 1 1 6   15 48 o 53.93469 4.165884 147.1945       21.82252 147.3235       26.16697 146.9000       39.54738 53.55227 5.051628 51.67574 8.083216 1.876526       9.531911 
1 1 1 6   15 49 o 20.99885 7.156116 22.50455       17.61798 15.84953       22.98814 31.97745       27.42653 20.20351 7.941336 24.83089 8.895370 -4.627380      11.92445 
1 1 1 6   15 50 o 33.50838 6.986099 61.65928       22.17020 79.94805       24.56354 -18.71000      51.49246 38.38070 6.786613 21.95883 10.15833 16.42186       12.21678 
1 1 1 6   15 51 o 47.65805 4.398634 116.2053       20.28780 124.7855       26.89876 104.8843       30.89768 48.67609 5.756891 43.52426 7.524643 5.151825       9.474283 
1 1 1 6   15 52 o 29.29218 6.618620 47.14518       18.52823 46.11456       24.69749 48.47194       28.02200 28.35626 8.342161 28.88488 8.971237 -0.5286160     12.25050 
1 1 1 6   15 53 o 40.69875 5.047425 86.37665       19.67679 102.3986       27.41239 69.34686       28.26140 43.44327 6.658331 34.60458 8.423948 8.838684       10.73761 
1 1 1 6   15 54 o 36.77650 5.616692 71.80000       19.57868 62.42510       26.81107 82.51098       28.65798 32.82337 8.331834 38.11467 7.939640 -5.291302      11.50901 
1 1 1 6   15 55 o 44.76056 4.785946 103.7614       20.64357 106.0577       28.17254 101.0987       30.33620 44.13319 6.734583 42.53045 7.564339 1.602741       10.12787 
1 1 1 6   15 56 o 33.33085 6.268008 60.50529       19.69905 43.69107       27.14213 79.22016       28.63512 27.38223 8.869276 37.10850 8.110485 -9.726276      12.01849 
1 1 1 6   15 57 f 28.86982 7.449448 47.58646       21.19146 34.70893       27.35884 66.90000       33.50522 24.95612 8.890646 32.91816 9.724967 -7.962032      13.17644 
1 1 1 6   15 58 o 38.31842 5.722010 78.85884       20.80506 75.20880       30.24206 82.13852       28.66672 35.40142 8.772412 37.60312 8.032445 -2.201691      11.89434 
1 1 1 6   15 59 o 20.11825 7.487666 20.05282       19.70950 27.02651       28.93965 14.01986       26.91702 23.07161 8.955875 20.11189 8.340207 2.959719       12.23792 
1 1 1 6   16 0  o 157.3296 5.145812 1214.277       79.13815 0.000000       0.000000 1214.277       79.13815 ?        ?        157.3296 5.145812 ?              ?        
1 1 1 6   16 1  o 278.2552 5.479732 3794.893       149.2481 3930.000       306.4645 3752.887       170.8813 282.3080 11.11220 276.6449 6.310529 5.663086       12.77904 
1 1 1 6   16 2  o 275.6670 7.693020 3732.918       207.3782 3706.000       292.8323 3760.000       293.7238 274.1560 10.93420 276.1579 10.88748 -2.001923      15.43029 
1 1 1 6   16 3  o 444.9845 9.713461 9736.907       423.0825 10550.00       775.1975 9391.964       504.9124 460.5586 17.22611 436.3768 11.83175 24.18185       20.89807 
1 1 1 6   16 4  o 273.1888 7.673850 3666.539       204.9990 0.000000       0.000000 3666.539       204.9990 ?        ?        273.1888 7.673850 ?              ?        
1 1 1 6   16 5  o 441.1269 9.638625 9570.750       416.1835 9728.000       727.3384 9494.201       507.4705 442.2053 16.83450 438.6575 11.82975 3.547791       20.57531 
1 1 1 6   16 6  o 95.08109 4.635126 444.0251       43.00821 503.7000       63.75799 394.2000       58.25890 101.1261 6.475199 89.38640 6.707549 11.73968       9.323058 
1 1 1 6   16 7  o 308.7657 6.930608 4678.878       209.4627 4554.000       355.4114 4745.337       259.2758 303.5495 11.98533 310.6124 8.535892 -7.062897      14.71426 
1 1 1 6   16 8  o 156.5585 4.254061 1201.785       65.13042 1165.000       109.4145 1221.973       81.05526 153.8664 7.285515 157.7934 5.255240 -3.926926      8.983110 
1 1 1 6   16 9  f 136.0835 4.024798 908.0635       53.55231 899.7000       89.83050 912.6746       66.70075 135.2141 6.809195 136.3579 5.005897 -1.143875      8.451281 
1 1 1 6   16 10 o 101.1376 3.149496 501.4333       31.14084 449.1000       61.48305 519.4913       36.11608 95.42380 6.623635 102.9196 3.590557 -7.495842      7.534232 
1 1 1 6   16 11 o 319.0695 6.178460 4996.054       192.9620 5517.000       411.5499 4849.261       218.4634 333.6270 12.62523 314.2100 7.103174 19.41702       14.48625 
1 1 1 6   16 12 o 234.9390 4.759363 2705.934       109.4486 2904.000       227.2444 2646.112       124.8882 242.5769 9.589458 232.2626 5.493332 10.31430       11.05144 
1 1 1 6   16 13 o 274.3770 5.416880 3692.862       145.4799 3713.000       290.2880 3686.107       168.1157 273.9773 10.84594 274.0201 6.267863 -0.4278564E-01 12.52679 
1 1 1 6   16 14 o 230.7370 4.704512 2610.349       106.2522 2618.000       210.6391 2607.738       123.0549 230.2713 9.364831 230.5498 5.452904 -0.2784576     10.83671 
1 1 1 6   16 15 o 229.1416 4.673131 2574.636       104.8137 2525.000       205.0774 2592.186       121.9437 226.0990 9.286201 229.8453 5.420229 -3.746292      10.75232 
1 1 1 6   16 16 o 136.0817 3.420546 907.8557       45.52574 861.6000       86.28185 925.7019       53.59322 132.2438 6.687286 137.3716 3.989947 -5.127823      7.787135 
1 1 1 6   16 17 o 186.2371 4.609920 1701.006       84.03606 1594.000       138.8293 1762.888       105.5752 179.7533 7.909753 189.4061 5.701071 -9.652878      9.750200 
1 1 1 6   16 18 o 187.0564 5.718392 1719.744       104.5785 0.000000       0.000000 1719.744       104.5785 ?        ?        187.0564 5.718392 ?              ?        
1 1 1 6   16 19 o 59.89241 3.685367 176.4735       21.50059 205.1000       41.21774 165.7723       25.20085 64.24676 6.650351 57.96616 4.476202 6.280602       8.016455 
1 1 1 6   16 20 o 341.8894 7.620505 5757.527       255.0208 6172.000       460.9984 5574.759       306.1278 351.3820 13.42807 335.7603 9.323691 15.62173       16.34761 
1 1 1 6   16 21 o 123.4148 3.836304 747.4418       46.28698 748.7000       76.42579 746.7130       58.16890 123.2312 6.357461 123.2579 4.830718 -0.2670288E-01 7.984557 
1 1 1 6   16 22 o 175.9284 3.919023 1517.700       67.48698 1510.000       130.2006 1520.529       78.91550 174.8502 7.625815 175.9705 4.585498 -1.120255      8.898306 
1 1 1 6   16 23 o 102.8202 3.850537 519.1746       38.68461 450.1000       55.58773 584.0446       53.86932 95.48343 5.977630 108.9342 5.065963 -13.45078      7.835562 
1 1 1 6   16 24 o 321.6348 6.263162 5091.707       197.1800 5403.930       287.3792 4813.965       271.0463 330.2854 8.897245 311.7241 8.892235 18.56131       12.57906 
1 1 1 6   16 25 o 174.7454 3.904875 1498.169       66.79118 1629.566       94.87297 1369.051       94.04645 181.9765 5.331994 166.7039 5.772265 15.27257       7.858066 
1 1 1 6   16 26 o 178.7202 3.946781 1567.602       69.04350 1577.581       94.25129 1556.045       101.4277 178.9935 5.385649 177.6717 5.840129 1.321777       7.944327 
1 1 1 6   16 27 o 53.16902 3.869483 139.5017       20.00023 146.0955       23.68986 123.1397       37.31766 54.34187 4.493847 49.23179 8.019751 5.110081       9.192990 
1 1 1 6   16 28 o 129.5259 4.057300 825.0541       51.37644 854.7000       82.87383 806.5485       65.47667 131.3541 6.465528 127.8574 5.242964 3.496773       8.324165 
1 1 1 6   16 29 o 175.9408 3.921426 1521.214       67.53312 1594.494       94.27167 1443.966       96.79066 179.7304 5.364630 170.9068 5.794238 8.823608       7.896357 
1 1 1 6   16 30 o 88.55779 3.129815 385.4708       27.08746 368.9321       33.31577 417.7267       46.52677 86.52478 3.944089 91.85719 5.195866 -5.332413      6.523255 
1 1 1 6   16 31 o 70.04971 3.258523 241.5888       22.28136 235.3768       26.51368 256.5223       41.10880 69.04601 3.939411 71.71344 5.908738 -2.667435      7.101559 
1 1 1 6   16 32 o 126.9902 3.367156 793.4955       41.81734 804.4105       54.73796 778.1962       64.80602 127.6240 4.388304 125.2661 5.297328 2.357849       6.878873 
1 1 1 6   16 33 o 127.4481 4.088916 801.9153       50.94310 754.1000       79.13927 835.7474       66.56916 122.7260 6.612350 129.7484 5.252470 -7.022362      8.444621 
1 1 1 6   16 34 o 80.46712 3.462007 319.4952       27.20417 316.5881       30.61639 330.4000       59.29662 80.00744 3.921412 80.60686 7.605295 -0.5994186     8.556750 
1 1 1 6   16 35 f 84.43385 3.457646 351.9360       28.51567 354.3531       32.30161 343.4000       60.70258 84.62260 3.910274 82.04744 7.646543 2.575165       8.588356 
1 1 1 6   16 36 o 177.3963 3.989738 1555.912       69.27798 1540.706       93.35120 1574.552       103.3591 175.6891 5.434898 177.2573 5.965651 -1.568192      8.070137 
1 1 1 6   16 37 o 70.50717 3.780745 246.4141       25.99716 247.2440       28.23860 241.8000       66.58281 70.54623 4.107195 67.14984 10.47152 3.396393       11.24819 
1 1 1 6   16 38 o 75.07799 3.380578 278.7761       24.77960 274.5772       29.89706 287.9904       44.28888 74.31990 4.125959 75.46214 6.046526 -1.142235      7.320110 
1 1 1 6   16 39 f 64.49903 3.572793 206.3391       22.46814 178.6178       26.45077 278.1685       42.57773 59.74147 4.557713 74.11954 5.917837 -14.37808      7.469507 
1 1 1 6   16 40 o 62.03086 3.667084 191.1871       22.16628 196.1081       26.46154 179.6108       40.58551 62.63995 4.342647 58.87957 7.191107 3.760380       8.400632 
1 1 1 6   16 41 o 14.94803 6.360268 1.121897       16.29504 -5.950435      18.55690 24.94405       34.05764 14.49625 6.460557 25.05496 9.718395 -10.55871      11.66988 
1 1 1 6   16 42 o 44.96036 8.831133 110.5253       37.47719 0.000000       0.000000 110.5253       37.47719 ?        ?        44.96036 8.831133 ?              ?        
1 1 1 6   16 43 o 17.46062 7.032271 8.705348       18.45825 -15.13000      22.00758 65.24680       33.89574 14.41000 6.657297 33.95230 9.710454 -19.54230      11.77338 
1 1 1 6   16 44 o 61.79091 5.900403 197.2000       35.25434 197.2000       35.25434 0.000000       0.000000 61.79091 5.900403 ?        ?        ?              ?        
1 1 1 6   16 45 o 20.52150 7.316239 20.05333       18.53039 3.981000       23.35113 47.38786       30.45260 17.95043 7.624887 29.20354 9.388977 -11.25311      12.09511 
1 1 1 6   16 46 o 27.02552 9.189125 39.39360       29.04793 0.000000       0.000000 39.39360       29.04793 ?        ?        27.02552 9.189125 ?              ?        
1 1 1 6   16 47 o 33.02688 7.651575 60.37724       24.25015 71.85000       34.68783 49.41000       33.91500 35.07578 9.751736 29.57223 9.929506 5.503548       13.91731 
1 1 1 6   16 48 o 29.90736 7.513362 49.69691       21.96352 39.73000       33.80791 56.97538       28.89069 27.23430 9.860687 31.48652 8.951772 -4.252216      13.31793 
1 1 1 6   16 49 o 26.35865 9.103752 38.07544       28.53881 21.01000       33.10283 87.48000       56.32354 23.26023 9.399883 36.66545 12.78236 -13.40521      15.86652 
1 1 1 6   16 50 o 34.80294 5.801631 64.48240       19.06851 87.93727       25.01491 31.94835       29.46126 40.34980 6.558633 24.82350 9.170135 15.52629       11.27418 
1 1 1 6   16 51 o 17.99250 6.955104 13.12535       17.39876 21.52946       22.40967 0.3716162      27.60629 21.28858 7.971924 18.28978 8.027341 2.998802       11.31326 
1 1 1 6   16 52 f 41.96823 5.241446 92.11273       21.06357 91.81415       25.72585 92.72000       36.68840 41.15819 6.609361 39.35995 9.608182 1.798241       11.66194 
1 1 1 6   16 53 o 22.87300 7.243533 28.63525       18.17948 34.15662       24.63796 22.03655       26.93461 24.84651 8.462648 22.12961 8.625999 2.716906       12.08405 
1 1 1 6   16 54 o 22.02304 7.323789 26.05957       18.45714 43.86462       25.21051 5.491565       27.09606 27.55454 8.501104 18.92363 8.130151 8.630909       11.76300 
1 1 1 6   16 55 o 27.58641 7.118776 42.82352       19.35098 30.47718       26.77130 56.33216       28.00309 23.96989 8.760422 30.83613 8.828336 -6.866234      12.43722 
1 1 1 6   16 56 o 16.69171 7.072519 4.849440       20.00557 -12.06298      26.28154 28.15000       30.84830 16.00277 7.350271 23.88631 9.253541 -7.883539      11.81755 
1 1 1 6   16 57 o 15.31756 6.657593 0.7355950      18.59135 -1.259245      26.67217 2.620660       25.92791 17.56681 7.792049 17.97245 7.836160 -0.4056358     11.05086 
1 1 1 6   16 58 o 24.67300 8.397673 35.03084       24.26046 38.05792       28.21704 26.45000       47.50772 25.56851 9.036889 25.22192 10.79935 0.3465919      14.08159 
1 1 1 6   17 0  o 75.65388 4.086138 281.2073       30.14642 200.9000       54.00411 317.5604       36.33456 63.30108 8.966515 80.36757 4.638546 -17.06649      10.09527 
1 1 1 6   17 1  o 189.8286 5.767845 1768.695       107.0477 0.000000       0.000000 1768.695       107.0477 ?        ?        189.8286 5.767845 ?              ?        
1 1 1 6   17 2  o 413.2857 9.053226 8400.478       366.2352 0.000000       0.000000 8400.478       366.2352 ?        ?        413.2857 9.053226 ?              ?        
1 1 1 6   17 3  o 532.5004 11.60223 13991.52       604.7383 17030.00       1207.099 12973.36       698.7511 581.5897 21.23978 511.6428 13.96548 69.94687       25.41973 
1 1 1 6   17 4  o 321.1876 6.219223 5061.049       195.5244 5473.000       411.9277 4941.246       222.1438 332.5083 12.67970 317.2399 7.153855 15.26840       14.55858 
1 1 1 6   17 5  o 276.3190 6.309559 3746.328       170.6538 3984.000       306.8708 3639.918       205.3327 283.9904 11.06056 272.0866 7.717627 11.90378       13.48695 
1 1 1 6   17 6  o 243.7743 5.713377 2914.695       136.3286 3508.000       264.3860 2699.806       159.1130 266.6268 10.14897 234.3935 6.942769 32.23329       12.29649 
1 1 1 6   17 7  o 138.6607 3.435474 941.7496       46.62794 910.9000       91.61681 952.5338       54.16822 136.0299 6.903302 139.3768 3.974585 -3.346878      7.965734 
1 1 1 6   17 8  f 240.4097 4.855153 2833.418       114.2513 2915.000       231.7643 2807.229       131.3158 243.0338 9.762439 239.2289 5.607857 3.804886       11.25848 
1 1 1 6   17 9  o 188.9577 4.761217 1751.483       87.99193 1801.000       152.5150 1726.778       107.7294 191.1888 8.168569 187.5063 5.876906 3.682495       10.06298 
1 1 1 6   17 10 o 201.7785 4.254601 1995.382       84.03107 2216.000       177.7954 1931.927       95.35310 212.0210 8.584886 198.4989 4.907616 13.52211       9.888628 
1 1 1 6   17 11 o 20.52926 7.931954 13.28300       22.62148 -3.247000      35.86547 24.20335       29.15134 21.68933 9.336479 24.86642 9.132845 -3.177090      13.06058 
1 1 1 6   17 12 o 104.1086 3.191064 531.4030       32.47995 451.6000       61.03920 562.9242       38.36193 95.66607 6.558125 107.1252 3.663889 -11.45911      7.512196 
1 1 1 6   17 13 o 204.0586 4.285731 2041.215       85.60240 2085.000       171.6967 2026.731       98.75101 205.5663 8.551720 203.2773 4.963026 2.289032       9.887545 
1 1 1 6   17 14 o 216.9367 4.488083 2307.534       95.30159 2188.000       182.6686 2352.238       111.7098 210.4911 8.885911 218.9572 5.212256 -8.466110      10.30180 
1 1 1 6   17 15 o 228.5608 4.671949 2562.098       104.5216 2673.000       212.1917 2526.568       120.1029 232.5392 9.341376 226.8892 5.407961 5.649948       10.79386 
1 1 1 6   17 16 o 245.6734 5.680969 2963.475       136.6113 2903.000       232.5356 2995.348       168.8155 242.1797 9.829896 246.6867 6.998412 -4.506973      12.06667 
1 1 1 6   17 17 o 82.50777 3.472671 334.1791       27.98289 251.7000       47.39657 378.3126       34.67041 71.21037 6.885620 87.75187 4.047320 -16.54150      7.987025 
1 1 1 6   17 18 o 278.9074 5.520353 3819.782       150.7069 3738.000       293.6282 3849.032       175.6010 274.3624 10.95572 279.8114 6.411437 -5.449005      12.69387 
1 1 1 6   17 19 o 26.63385 6.699275 36.25360       17.44629 82.71000       34.88645 20.76087       20.14642 40.13754 9.091379 21.82943 7.642411 18.30811       11.87685 
1 1 1 6   17 20 o 338.8276 7.563206 5657.421       250.8366 5726.000       435.5234 5623.382       306.8375 338.2848 13.17815 337.0890 9.308371 1.195831       16.13410 
1 1 1 6   17 21 o 271.9073 5.410521 3632.103       144.0012 3797.000       292.3175 3579.265       165.4720 276.2469 10.83163 269.7485 6.266993 6.498352       12.51397 
1 1 1 6   17 22 o 166.0307 4.446881 1353.790       72.20361 0.000000       0.000000 1353.790       72.20361 ?        ?        166.0307 4.446881 ?              ?        
1 1 1 6   17 23 o 231.6913 4.758796 2636.069       107.9228 2958.799       160.4729 2369.558       145.8277 244.9717 6.698650 219.1795 6.805509 25.79221       9.549182 
1 1 1 6   17 24 o 124.7902 4.713717 766.0193       57.47366 858.6000       78.81902 660.9000       83.98696 131.9047 6.121397 115.4402 7.472887 16.46448       9.659997 
1 1 1 6   17 25 o 153.9077 3.612716 1162.064       54.42523 1116.549       71.48955 1224.812       83.93828 150.6421 4.854643 157.6775 5.446741 -7.035355      7.296201 
1 1 1 6   17 26 o 90.66336 3.150925 403.5945       27.92000 378.4391       34.35114 452.5598       47.92581 87.69891 4.012295 95.76741 5.131379 -8.068504      6.513797 
1 1 1 6   17 27 o 229.3382 4.739015 2587.787       106.3826 2871.486       156.3677 2343.323       145.1529 240.8829 6.638181 217.5172 6.825963 23.36574       9.521513 
1 1 1 6   17 28 o 145.4949 3.531683 1039.493       50.29628 1082.021       68.09385 988.4349       74.61150 148.1779 4.700760 141.4617 5.398318 6.716187       7.158141 
1 1 1 6   17 29 o 53.76630 3.623028 142.6957       18.95593 141.7393       22.18425 145.2833       36.48954 53.49600 4.272068 53.61388 7.129777 -0.1178780     8.311696 
1 1 1 6   17 30 o 79.59164 3.170277 311.6430       24.64910 312.2691       30.01352 310.3459       43.20277 79.57215 3.865008 78.99049 5.624465 0.5816650      6.824433 
1 1 1 6   17 31 o 172.2275 3.872850 1460.622       65.28890 1479.542       89.01440 1438.592       96.05153 172.8144 5.268434 170.1967 5.773993 2.617752       7.816354 
1 1 1 6   17 32 o 70.54133 3.263014 245.2395       22.46935 246.9272       26.79580 241.2418       41.24031 70.68165 3.888032 69.35522 6.138171 1.326424       7.265944 
1 1 1 6   17 33 o 72.70222 3.465039 260.8911       24.58727 257.0610       27.33833 277.1000       56.23948 72.08621 3.888878 73.66195 7.924444 -1.575737      8.827241 
1 1 1 6   17 34 o 60.83636 3.616283 183.1484       21.43719 162.9823       23.35893 290.8000       53.97004 57.26455 4.196499 75.56005 7.391606 -18.29551      8.499791 
1 1 1 6   17 35 o 63.17103 3.348019 197.2343       20.62806 175.2332       23.75133 264.7757       41.61512 59.38140 4.111701 72.52743 5.913229 -13.14603      7.202246 
1 1 1 6   17 36 o 60.28948 3.802996 180.3709       22.32827 174.3617       23.83306 223.5000       63.84947 59.19738 4.139199 64.52801 10.46720 -5.330631      11.25589 
1 1 1 6   17 37 o 50.45174 3.902328 126.7096       19.12139 130.3378       21.94146 115.2537       38.98792 51.04974 4.434989 46.51963 8.886172 4.530113       9.931424 
1 1 1 6   17 38 o 40.89584 4.536114 84.16647       17.85303 80.51453       20.14675 97.52092       38.52620 39.78764 5.305185 42.38654 9.519256 -2.598907      10.89776 
1 1 1 6   17 39 o 66.44634 3.539329 219.0247       22.93658 212.0636       27.31538 235.6677       42.23591 65.16866 4.306291 67.91573 6.429956 -2.747070      7.738765 
1 1 1 6   17 40 o 74.48197 3.437150 275.1965       24.99099 273.9398       30.10139 277.9843       44.83291 74.07871 4.168139 73.72865 6.271803 0.3500671      7.530531 
1 1 1 6   17 41 o 55.59578 7.522622 162.9639       39.88773 0.000000       0.000000 162.9639       39.88773 ?        ?        55.59578 7.522622 ?              ?        
1 1 1 6   17 42 o 28.66025 6.099683 43.48380       16.58594 41.12568       18.80519 51.74312       35.19388 27.65121 6.955353 30.69490 10.10960 -3.043694      12.27114 
1 1 1 6   17 43 f 54.12316 3.767329 146.7352       19.83368 150.1669       23.47868 138.1843       37.06145 54.51595 4.438278 50.73375 7.705048 3.782196       8.891911 
1 1 1 6   17 44 o 59.02744 3.640558 174.3842       20.93196 170.0703       25.12441 184.1730       37.84660 57.96994 4.462099 59.19809 6.646149 -1.228146      8.005099 
1 1 1 6   17 45 o 36.82180 6.063883 71.55404       21.09544 71.55404       21.09544 0.000000       0.000000 36.82180 6.063883 ?        ?        ?              ?        
1 1 1 6   17 46 o 18.18049 6.841002 13.91030       16.54499 32.71489       19.06711 -43.40000      33.28659 24.56383 7.355908 15.37253 7.411802 9.191303       10.44242 
1 1 1 6   17 47 o 19.43011 6.853262 18.28189       16.22160 25.67713       19.98775 4.011975       27.76503 22.31695 7.621849 19.14613 8.227883 3.170824       11.21564 
1 1 1 6   17 48 o 38.28409 7.827355 81.52221       28.34108 90.78000       32.62349 53.04000       57.22208 39.99203 8.590315 31.28535 12.45558 8.706688       15.13060 
1 1 1 6   17 49 o 18.52666 7.375692 12.26343       20.06432 30.70000       29.24732 -4.127204      27.57679 24.56351 9.125198 17.67030 7.875384 6.893209       12.05367 
1 1 1 6   17 50 o 26.57311 7.639772 39.75669       20.92846 70.24000       31.72285 16.26418       27.84876 34.43337 9.226233 21.17233 8.597810 13.26104       12.61133 
1 1 1 6   17 51 o 26.08896 7.708189 38.30604       21.04860 13.49000       30.82139 59.99527       28.81430 21.27292 8.881413 31.97633 8.887052 -10.70341      12.56420 
1 1 1 6   17 52 o 28.35815 8.103794 46.20688       23.61664 47.59000       33.94969 44.91000       32.87420 28.50361 9.924758 27.86444 9.761928 0.6391735      13.92107 
1 1 1 6   17 53 o 39.86812 9.564590 95.60000       36.84582 0.000000       0.000000 95.60000       36.84582 ?        ?        39.86812 9.564590 ?              ?        
1 1 1 6   17 54 o 23.71177 8.918463 28.58380       28.11280 0.000000       0.000000 28.58380       28.11280 ?        ?        23.71177 8.918463 ?              ?        
1 1 1 6   17 55 o 35.57391 6.930941 70.22562       23.26616 109.6000       40.65837 51.05480       28.37027 42.23242 9.992487 29.30187 9.014206 12.93055       13.45755 
1 1 1 6   17 56 o 32.11869 7.339157 58.55177       22.56739 16.17000       37.86029 81.90870       28.10621 22.74648 9.687190 37.80140 7.852937 -15.05492      12.47038 
1 1 1 6   17 57 o 22.54794 8.942672 23.78808       29.38829 35.87000       37.45171 4.427000       47.40982 25.76990 10.13415 22.70667 10.20733 3.063232       14.38369 
1 1 1 6   17 58 o 25.15551 7.897595 36.81096       21.65470 5.466000       37.44073 52.56694       26.54502 20.88887 9.250522 29.46456 8.643264 -8.575682      12.66010 
1 1 1 6   18 0  o 411.1800 15.85649 8433.000       636.9870 8433.000       636.9870 0.000000       0.000000 411.1800 15.85649 ?        ?        ?              ?        
1 1 1 6   18 1  o 426.6486 9.362658 8964.029       390.9991 0.000000       0.000000 8964.029       390.9991 ?        ?        426.6486 9.362658 ?              ?        
1 1 1 6   18 2  o 428.2539 9.376300 9032.208       393.0421 0.000000       0.000000 9032.208       393.0421 ?        ?        428.2539 9.376300 ?              ?        
1 1 1 6   18 3  o 333.4600 7.430393 5463.764       242.5279 0.000000       0.000000 5463.764       242.5279 ?        ?        333.4600 7.430393 ?              ?        
1 1 1 6   18 4  o 706.9796 13.24669 24777.02       916.6859 25630.00       1877.067 24509.88       1050.472 704.2332 27.28221 701.6729 15.29479 2.560303       31.27698 
1 1 1 6   18 5  o 217.7225 5.188734 2324.630       110.5786 2350.000       192.8615 2312.205       134.9662 218.2780 9.046314 216.9381 6.362863 1.339966       11.05992 
1 1 1 6   18 6  o 257.8306 5.964888 3262.262       150.5369 3466.000       269.5879 3169.952       181.4628 264.8281 10.42026 253.8810 7.309769 10.94707       12.72850 
1 1 1 6   18 7  o 174.1657 4.517585 1487.930       76.94995 1387.000       126.8428 1546.707       96.79673 167.7769 7.744626 177.4708 5.579143 -9.693863      9.544950 
1 1 1 6   18 8  o 136.9799 4.080751 920.3483       54.65361 943.6000       93.11772 908.1291       67.50380 138.4205 6.894375 135.9837 5.080420 2.436783       8.564057 
1 1 1 6   18 9  o 185.6947 4.038341 1689.902       73.40213 1719.000       147.0158 1680.240       84.71690 186.7398 8.062041 185.0614 4.680548 1.678421       9.322233 
1 1 1 6   18 10 o 98.43295 3.945732 475.5938       37.93965 433.9000       60.54453 502.5520       48.68374 93.74691 6.640978 101.1073 4.934107 -7.360390      8.273331 
1 1 1 6   18 11 o 18.62966 6.744335 14.04977       15.81481 -60.03000      36.26823 31.44240       17.57354 15.76750 7.634897 24.93550 6.944180 -9.167992      10.32053 
1 1 1 6   18 12 o 178.3278 3.918889 1558.615       68.40506 1574.000       136.1530 1553.420       79.11505 178.6581 7.804543 177.9284 4.546356 0.7296143      9.032178 
1 1 1 6   18 13 o 48.92178 3.918989 118.0582       18.60963 52.01000       39.49842 136.9028       21.09807 32.95531 10.70125 52.68515 4.124018 -19.72984      11.46841 
1 1 1 6   18 14 o 33.23849 4.719427 55.26909       14.92343 35.34000       35.77890 59.46646       16.41994 28.70119 10.17299 34.45644 5.015616 -5.755247      11.34222 
1 1 1 6   18 15 o 104.4592 3.473995 535.3000       35.47135 612.8000       66.20934 504.1009       42.00877 111.5170 6.088674 101.3052 4.245861 10.21177       7.422890 
1 1 1 6   18 16 o 142.6859 3.509576 997.7474       49.01646 1012.000       95.81808 992.6956       57.04571 143.2707 6.852429 142.2306 4.101829 1.040115       7.986287 
1 1 1 6   18 17 o 30.70196 4.984469 47.44193       14.46603 -11.71000      35.17611 59.48217       15.87015 20.24835 8.966658 34.48413 4.834312 -14.23578      10.18683 
1 1 1 6   18 18 o 111.5862 3.646576 611.0002       39.77573 597.7000       67.59519 618.0449       49.19448 110.0745 6.299998 112.1525 4.490347 -2.078003      7.736484 
1 1 1 6   18 19 o 151.4658 4.161508 1126.091       61.63960 991.4000       97.22799 1216.605       79.70383 141.7166 7.031088 157.3160 5.183145 -15.59940      8.735055 
1 1 1 6   18 20 o 200.0402 4.256854 1963.236       83.35127 1764.000       152.9737 2047.363       99.40304 188.7970 8.298079 204.1902 4.973458 -15.39322      9.674368 
1 1 1 6   18 21 o 269.5085 6.233458 3574.479       164.4401 3757.000       288.5012 3486.648       200.1321 274.6182 10.75356 265.6838 7.703786 8.934357       13.22828 
1 1 1 6   18 22 o 118.9077 3.649619 694.0655       42.42767 655.7000       68.49556 717.9496       54.04398 115.2580 6.092995 120.8355 4.577543 -5.577583      7.620924 
1 1 1 6   18 23 o 212.2641 6.332531 2222.073       131.4239 2416.000       189.4028 2042.000       182.5115 220.5701 8.790313 202.6005 9.227524 17.96954       12.74428 
1 1 1 6   18 24 o 98.74604 5.331350 481.1378       51.33926 0.000000       0.000000 481.1378       51.33926 ?        ?        98.74604 5.331350 ?              ?        
1 1 1 6   18 25 o 157.6269 5.555245 1225.412       85.57764 0.000000       0.000000 1225.412       85.57764 ?        ?        157.6269 5.555245 ?              ?        
1 1 1 6   18 26 o 152.8625 5.425617 1153.162       81.05260 0.000000       0.000000 1153.162       81.05260 ?        ?        152.8625 5.425617 ?              ?        
1 1 1 6   18 27 o 129.9061 5.171153 833.2284       65.62277 0.000000       0.000000 833.2284       65.62277 ?        ?        129.9061 5.171153 ?              ?        
1 1 1 6   18 28 o 133.5733 5.265761 882.1752       68.71245 0.000000       0.000000 882.1752       68.71245 ?        ?        133.5733 5.265761 ?              ?        
1 1 1 6   18 29 o 133.7157 5.353570 885.5181       69.92838 0.000000       0.000000 885.5181       69.92838 ?        ?        133.7157 5.353570 ?              ?        
1 1 1 6   18 30 o 78.83263 5.692964 309.7277       43.63303 0.000000       0.000000 309.7277       43.63303 ?        ?        78.83263 5.692964 ?              ?        
1 1 1 6   18 31 o 110.5818 5.303922 607.5203       57.24254 0.000000       0.000000 607.5203       57.24254 ?        ?        110.5818 5.303922 ?              ?        
1 1 1 6   18 32 o 103.7983 7.240276 544.1000       73.10044 0.000000       0.000000 544.1000       73.10044 ?        ?        103.7983 7.240276 ?              ?        
1 1 1 6   18 33 o 119.4303 5.320180 710.9586       62.03771 0.000000       0.000000 710.9586       62.03771 ?        ?        119.4303 5.320180 ?              ?        
1 1 1 6   18 34 o 141.8767 3.503649 992.8141       48.65618 914.7484       60.96435 1129.792       80.75534 135.7330 4.595268 150.4080 5.494456 -14.67493      7.162788 
1 1 1 6   18 35 o 82.82278 3.465659 339.0818       28.03375 331.1708       30.48085 382.5000       71.40848 81.76225 3.819177 85.86855 8.612025 -4.106300      9.420886 
1 1 1 6   18 36 o 75.26707 3.211247 279.8834       23.60401 258.9969       27.36565 340.5775       46.64949 72.24050 3.884354 82.19299 5.836335 -9.952492      7.010778 
1 1 1 6   18 37 o 38.00320 4.478151 72.74386       16.33863 58.23751       18.05846 138.2048       38.36126 33.64053 5.686640 51.39127 7.876717 -17.75074      9.714965 
1 1 1 6   18 38 f 98.21030 3.192867 476.6816       30.65255 447.6925       37.11600 538.8652       54.36023 94.90920 4.004272 103.5182 5.383355 -8.609024      6.709300 
1 1 1 6   18 39 o 76.45791 3.245856 289.4671       24.23643 269.9107       28.45111 341.1982       46.27341 73.61417 3.963106 82.01026 5.801893 -8.396095      7.026249 
1 1 1 6   18 40 o 100.3790 5.458142 510.1953       53.42651 0.000000       0.000000 510.1953       53.42651 ?        ?        100.3790 5.458142 ?              ?        
1 1 1 6   18 41 o 26.26109 6.127544 36.58621       15.46167 27.43032       17.16878 75.88044       35.56752 22.88365 7.007324 36.66402 9.744800 -13.78037      12.00266 
1 1 1 6   18 42 f 29.06023 5.737990 44.47174       15.74223 32.11062       17.70182 91.21353       34.42245 24.47938 7.022568 40.42785 8.936660 -15.94847      11.36575 
1 1 1 6   18 43 o 57.17492 3.455961 163.2502       19.25077 142.4122       22.23273 225.6773       38.48151 53.08723 4.315743 66.00216 6.022742 -12.91493      7.409390 
1 1 1 6   18 44 o 36.49791 4.794470 68.44356       16.71453 73.75550       19.31358 52.59518       33.36019 37.68488 5.389142 30.49559 9.829074 7.189285       11.20953 
1 1 1 6   18 45 o 67.87901 3.577062 230.5750       23.68277 219.7753       27.25139 263.9000       47.87035 65.97144 4.242627 70.50801 7.029790 -4.536568      8.210836 
1 1 1 6   18 46 o 46.06958 5.923746 111.3740       26.09515 103.7000       32.37728 125.6000       44.08299 43.33232 7.925439 46.32042 10.01500 -2.988098      12.77156 
1 1 1 6   18 47 o 23.32976 7.325847 29.38865       18.63189 37.55898       19.76385 -35.87000      55.85614 26.06230 7.402106 21.56012 10.16875 4.502182       12.57755 
1 1 1 6   18 48 o 24.36641 6.636445 32.48737       16.25301 39.53204       19.77044 17.80085       28.54600 26.65833 7.343224 21.73293 8.747959 4.925402       11.42146 
1 1 1 6   18 49 o 44.05923 4.308881 99.29984       18.34537 93.06308       22.79476 110.7667       30.90853 41.98116 5.693841 44.88916 7.283894 -2.907997      9.245265 
1 1 1 6   18 50 o 38.04866 4.887484 75.31033       17.78260 81.37836       22.12687 64.24291       29.88263 39.03019 5.982205 32.98699 9.004557 6.043205       10.81059 
1 1 1 6   18 51 f 32.54678 5.850480 56.84129       17.95317 49.99295       21.18196 74.31000       33.83017 29.81558 7.314196 35.09776 9.580925 -5.282171      12.05370 
1 1 1 6   18 52 o 44.45834 4.586856 101.9524       19.67443 101.2102       23.48314 103.7000       36.03635 43.75659 5.611884 41.99457 9.034988 1.762016       10.63599 
1 1 1 6   18 53 o 24.50540 7.108140 33.52435       18.04249 36.93896       21.24845 24.70000       34.15843 25.54757 7.790219 23.74143 9.564816 1.806139       12.33585 
1 1 1 6   18 54 o 29.13194 6.665503 47.12984       18.59402 48.53530       22.15391 43.78000       34.20211 29.10917 7.669399 27.47705 9.922167 1.632118       12.54070 
1 1 1 6   18 55 o 32.18607 5.827070 55.86106       17.68227 51.13235       22.67051 63.20617       28.25459 29.84445 7.707125 32.66235 8.687343 -2.817896      11.61334 
1 1 1 6   18 56 o 38.33334 5.831802 79.07053       21.19304 84.63970       23.61786 56.05000       48.01784 39.37256 6.343835 29.91148 11.55653 9.461079       13.18323 
1 1 1 6   18 57 o 32.78596 8.485714 64.55186       27.44084 0.000000       0.000000 64.55186       27.44084 ?        ?        32.78596 8.485714 ?              ?        
1 1 1 6   19 0  o 282.9730 6.439844 3931.926       178.3719 3717.000       298.2033 4051.666       222.5809 274.0091 11.14161 286.8960 7.933677 -12.88684      13.67767 
1 1 1 6   19 1  o 217.7118 5.196795 2324.772       110.7449 2368.000       195.2392 2304.266       134.4707 219.0477 9.125872 216.5419 6.351105 2.505814       11.11837 
1 1 1 6   19 2  o 224.7107 4.633605 2475.572       101.9176 2616.000       210.3727 2432.505       116.5022 230.1989 9.355903 222.6839 5.344893 7.514969       10.77501 
1 1 1 6   19 3  o 124.6970 3.869603 762.6642       47.17398 0.000000       0.000000 762.6642       47.17398 ?        ?        124.6970 3.869603 ?              ?        
1 1 1 6   19 4  o 208.2480 5.036381 2126.900       102.6610 0.000000       0.000000 2126.900       102.6610 ?        ?        208.2480 5.036381 ?              ?        
1 1 1 6   19 5  o 371.8822 7.111900 6797.319       258.8792 6923.000       523.8223 6756.701       297.7878 372.5988 14.38976 370.5072 8.211150 2.091644       16.56768 
1 1 1 6   19 6  o 74.56719 4.225269 273.4182       30.71338 265.8000       53.22023 277.2223       37.60789 73.13341 7.542619 75.00015 5.154174 -1.866745      9.135459 
1 1 1 6   19 7  o 148.9032 5.219369 1089.103       75.95496 0.000000       0.000000 1089.103       75.95496 ?        ?        148.9032 5.219369 ?              ?        
1 1 1 6   19 8  o 138.4291 4.101623 940.1146       55.51497 1071.000       99.69724 881.2930       66.83536 147.4450 6.927282 133.9335 5.107488 13.51143       8.606606 
1 1 1 6   19 9  o 284.2802 5.595200 3966.886       155.6928 4080.000       316.0211 3930.631       178.9122 286.8011 11.27916 282.8392 6.462406 3.961945       12.99931 
1 1 1 6   19 10 o 135.0799 4.913857 896.2837       64.86271 779.5000       86.16518 1049.000       98.53337 125.7078 7.030681 145.9020 6.919187 -20.19425      9.864361 
1 1 1 6   19 11 o 103.5447 3.766198 526.1636       38.10772 479.2000       64.57280 551.2609       47.20434 98.49986 6.738002 105.9223 4.563611 -7.422409      8.138011 
1 1 1 6   19 12 o 18.77228 7.883944 2.293563       24.50624 -0.4177000     38.54542 4.133007       31.74901 22.89607 9.763419 21.54427 9.005805 1.351801       13.28265 
1 1 1 6   19 13 o 134.3973 3.457322 885.7181       45.44392 823.0000       86.28493 909.7932       53.45915 129.1759 6.848604 136.1674 4.015293 -6.991547      7.938889 
1 1 1 6   19 14 o 118.8749 3.698131 693.3093       42.97838 557.2000       70.59391 773.4701       54.17567 106.2132 6.826343 125.5022 4.416968 -19.28903      8.130717 
1 1 1 6   19 15 o 164.4435 3.759477 1325.581       60.51321 1275.000       116.6895 1344.188       70.77342 160.7319 7.437077 165.4894 4.372951 -4.757416      8.627445 
1 1 1 6   19 16 o 9.266418 4.392178 -13.03300      10.66528 -86.57000      35.67809 -5.816929      11.17632 13.83849 6.869864 10.96931 4.941346 2.869181       8.462383 
1 1 1 6   19 17 o 86.45042 3.597561 366.9913       30.37605 366.4000       54.42350 367.2589       36.60888 86.05641 6.509227 86.41652 4.341873 -0.3601074     7.824442 
1 1 1 6   19 18 o 100.3302 3.585227 494.1141       35.15247 431.7000       59.20436 528.0978       43.68660 93.43439 6.514328 103.6604 4.314990 -10.22601      7.813808 
1 1 1 6   19 19 o 108.6920 3.226908 579.5455       34.29329 465.3000       61.48799 631.1268       41.31588 97.00190 6.513714 113.3870 3.727677 -16.38511      7.504934 
1 1 1 6   19 20 o 92.10574 3.165526 416.2982       28.49659 394.6000       51.88779 425.6693       34.09933 89.36124 5.966296 93.08850 3.750019 -3.727257      7.046938 
1 1 1 6   19 21 o 157.2752 3.671789 1213.261       56.52546 1362.000       114.5174 1165.349       64.99490 165.9977 7.064110 154.0140 4.315600 11.98364       8.278047 
1 1 1 6   19 22 o 114.4947 3.882322 644.0250       43.44648 0.000000       0.000000 644.0250       43.44648 ?        ?        114.4947 3.882322 ?              ?        
1 1 1 6   19 23 f 184.5131 5.951599 1679.500       107.3491 0.000000       0.000000 1679.500       107.3491 ?        ?        184.5131 5.951599 ?              ?        
1 1 1 6   19 24 o 142.2536 5.372722 998.0695       74.67625 0.000000       0.000000 998.0695       74.67625 ?        ?        142.2536 5.372722 ?              ?        
1 1 1 6   19 25 o 94.27663 5.326816 439.4493       48.95618 0.000000       0.000000 439.4493       48.95618 ?        ?        94.27663 5.326816 ?              ?        
1 1 1 6   19 26 o 39.40771 9.613885 81.00238       36.74924 0.000000       0.000000 81.00238       36.74924 ?        ?        39.40771 9.613885 ?              ?        
1 1 1 6   19 27 o 66.24043 6.441443 219.5839       41.23819 0.000000       0.000000 219.5839       41.23819 ?        ?        66.24043 6.441443 ?              ?        
1 1 1 6   19 28 o 55.88575 7.205190 158.1867       38.49801 0.000000       0.000000 158.1867       38.49801 ?        ?        55.88575 7.205190 ?              ?        
1 1 1 6   19 29 o 110.6514 5.255260 607.4337       56.75636 0.000000       0.000000 607.4337       56.75636 ?        ?        110.6514 5.255260 ?              ?        
1 1 1 6   19 30 o 98.71024 5.458269 484.8587       52.53265 0.000000       0.000000 484.8587       52.53265 ?        ?        98.71024 5.458269 ?              ?        
1 1 1 6   19 31 o 55.95653 9.745539 164.8000       51.43951 0.000000       0.000000 164.8000       51.43951 ?        ?        55.95653 9.745539 ?              ?        
1 1 1 6   19 32 o 71.76842 6.071708 259.2466       42.25325 0.000000       0.000000 259.2466       42.25325 ?        ?        71.76842 6.071708 ?              ?        
1 1 1 6   19 33 o 119.7081 7.951692 732.3000       92.64463 0.000000       0.000000 732.3000       92.64463 ?        ?        119.7081 7.951692 ?              ?        
1 1 1 6   19 34 o 104.0348 8.102911 556.6000       81.86335 0.000000       0.000000 556.6000       81.86335 ?        ?        104.0348 8.102911 ?              ?        
1 1 1 6   19 35 o 120.8023 5.447600 731.3699       64.24920 0.000000       0.000000 731.3699       64.24920 ?        ?        120.8023 5.447600 ?              ?        
1 1 1 6   19 36 o 26.15691 10.11080 26.60089       36.76817 0.000000       0.000000 26.60089       36.76817 ?        ?        26.15691 10.11080 ?              ?        
1 1 1 6   19 37 o 34.41379 10.11743 64.62743       36.33786 0.000000       0.000000 64.62743       36.33786 ?        ?        34.41379 10.11743 ?              ?        
1 1 1 6   19 38 o 32.49745 10.31286 57.11601       36.83347 0.000000       0.000000 57.11601       36.83347 ?        ?        32.49745 10.31286 ?              ?        
1 1 1 6   19 39 o 26.23838 9.910157 30.51412       34.79379 0.000000       0.000000 30.51412       34.79379 ?        ?        26.23838 9.910157 ?              ?        
1 1 1 6   19 40 o 50.80326 7.905019 138.0426       38.03168 0.000000       0.000000 138.0426       38.03168 ?        ?        50.80326 7.905019 ?              ?        
1 1 1 6   19 41 o 50.68532 7.905136 138.4655       37.93989 0.000000       0.000000 138.4655       37.93989 ?        ?        50.68532 7.905136 ?              ?        
1 1 1 6   19 42 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   19 43 o 20.53045 8.819234 4.867788       31.87528 0.000000       0.000000 4.867788       31.87528 ?        ?        20.53045 8.819234 ?              ?        
1 1 1 6   19 44 o 49.29205 9.396735 138.0000       43.68331 0.000000       0.000000 138.0000       43.68331 ?        ?        49.29205 9.396735 ?              ?        
1 1 1 6   19 45 o 28.41343 9.335560 45.22879       30.01787 0.000000       0.000000 45.22879       30.01787 ?        ?        28.41343 9.335560 ?              ?        
1 1 1 6   19 46 o 20.15868 9.657372 -51.81000      54.47127 0.000000       0.000000 -51.81000      54.47127 ?        ?        20.15868 9.657372 ?              ?        
1 1 1 6   19 47 o 21.23303 9.254917 4.522000       36.14239 0.000000       0.000000 4.522000       36.14239 ?        ?        21.23303 9.254917 ?              ?        
1 1 1 6   19 48 o 61.39398 5.856396 198.2977       34.76758 0.000000       0.000000 198.2977       34.76758 ?        ?        61.39398 5.856396 ?              ?        
1 1 1 6   19 49 o 26.47820 9.063890 39.60519       28.27001 0.000000       0.000000 39.60519       28.27001 ?        ?        26.47820 9.063890 ?              ?        
1 1 1 6   19 50 o 31.53909 8.919004 58.54346       28.75692 0.000000       0.000000 58.54346       28.75692 ?        ?        31.53909 8.919004 ?              ?        
1 1 1 6   19 51 o 29.27298 9.785459 51.04000       32.94216 0.000000       0.000000 51.04000       32.94216 ?        ?        29.27298 9.785459 ?              ?        
1 1 1 6   19 52 o 19.46101 8.583944 1.111000       31.93209 0.000000       0.000000 1.111000       31.93209 ?        ?        19.46101 8.583944 ?              ?        
1 1 1 6   19 53 o 53.09203 8.402716 161.2000       42.21530 0.000000       0.000000 161.2000       42.21530 ?        ?        53.09203 8.402716 ?              ?        
1 1 1 6   19 54 o 58.86674 6.132615 185.4672       34.81886 0.000000       0.000000 185.4672       34.81886 ?        ?        58.86674 6.132615 ?              ?        
1 1 1 6   19 55 o 22.90619 10.24093 5.692000       47.01628 0.000000       0.000000 5.692000       47.01628 ?        ?        22.90619 10.24093 ?              ?        
1 1 1 6   19 56 o 19.98754 8.207439 14.50106       25.72521 0.000000       0.000000 14.50106       25.72521 ?        ?        19.98754 8.207439 ?              ?        
1 1 1 6   19 57 o 41.57942 7.481500 98.85788       29.32953 0.000000       0.000000 98.85788       29.32953 ?        ?        41.57942 7.481500 ?              ?        
1 1 1 6   20 0  o 363.5763 6.972039 6498.497       248.1199 6753.000       509.4413 6419.352       284.0922 367.8021 14.17711 361.0900 8.037808 6.712036       16.29714 
1 1 1 6   20 1  o 147.5343 3.592793 1066.550       51.88376 989.8000       101.6146 1093.615       60.34242 141.6698 7.352949 149.3088 4.132843 -7.639038      8.434824 
1 1 1 6   20 2  o 234.1259 5.535742 2690.376       126.8620 2467.000       208.1936 2822.300       159.9966 223.3713 9.544120 239.5233 6.831258 -16.15196      11.73696 
1 1 1 6   20 3  o 277.8714 7.778246 3803.287       211.3510 3571.000       287.8488 4075.000       311.3201 268.3873 10.98030 286.6860 11.11522 -18.29874      15.62418 
1 1 1 6   20 4  o 212.9603 5.143755 2225.168       107.2223 0.000000       0.000000 2225.168       107.2223 ?        ?        212.9603 5.143755 ?              ?        
1 1 1 6   20 5  f 394.1790 8.698409 7659.653       335.6136 0.000000       0.000000 7659.653       335.6136 ?        ?        394.1790 8.698409 ?              ?        
1 1 1 6   20 6  o 168.2725 4.383440 1389.354       72.13807 1328.000       124.1377 1420.637       88.64101 164.0629 7.752059 170.0542 5.331851 -5.991287      9.408669 
1 1 1 6   20 7  o 234.6528 4.790046 2701.015       110.0200 2854.000       227.3776 2654.248       125.7166 240.1643 9.692282 232.5243 5.523547 7.639938       11.15571 
1 1 1 6   20 8  o 85.35564 4.164242 358.0425       34.68660 440.4000       61.08479 318.8488       42.13955 94.41675 6.652220 80.41768 5.384456 13.99907       8.558293 
1 1 1 6   20 9  o 108.4744 3.989951 577.6132       42.29224 587.8000       71.23181 572.0673       52.55870 109.1330 6.700548 107.8599 4.991805 1.273125       8.355564 
1 1 1 6   20 10 o 45.96069 6.070338 105.5695       26.64194 114.2000       44.58479 100.7762       33.22655 47.18623 9.966034 44.57817 7.904148 2.608055       12.71996 
1 1 1 6   20 11 o 73.29118 3.499418 263.8443       25.03210 271.2000       52.73497 261.7049       28.44040 73.85640 7.393960 72.95241 3.998097 0.9039917      8.405678 
1 1 1 6   20 12 o 79.88248 3.688008 313.4470       28.75915 298.0000       53.56347 319.7037       34.08957 77.48653 7.142463 80.62205 4.335728 -3.135521      8.355436 
1 1 1 6   20 13 o 21.82349 7.092066 22.62931       17.34638 -43.90000      40.07415 37.96865       19.24249 18.34578 8.640569 27.27606 7.129108 -8.930286      11.20195 
1 1 1 6   20 14 o 125.6286 3.360936 774.0192       41.29189 729.3000       80.18761 790.1561       48.16922 121.5527 6.766340 126.8888 3.882858 -5.336121      7.801278 
1 1 1 6   20 15 o 40.75108 4.248507 82.33686       16.69798 111.0000       41.58873 76.82822       18.23207 46.54436 9.451607 39.26804 4.846119 7.276321       10.62157 
1 1 1 6   20 16 o 417.8098 9.211219 8639.625       376.7055 9386.000       690.4924 8323.339       449.4909 430.0095 16.43519 408.8317 11.24301 21.17780       19.91283 
1 1 1 6   20 17 o 25.04620 5.686338 32.06605       13.62094 -29.17000      37.81505 41.19550       14.60102 19.02143 8.765831 28.48428 5.435113 -9.462845      10.31408 
1 1 1 6   20 18 o 220.7064 4.572730 2391.314       98.78630 2345.000       192.3865 2407.898       115.1218 217.4062 9.060442 221.3519 5.313347 -3.945633      10.50349 
1 1 1 6   20 19 o 138.9793 3.470343 947.1333       47.20942 1042.000       93.99635 915.1300       54.59479 145.2568 6.628487 136.4993 4.090768 8.757477       7.789173 
1 1 1 6   20 20 o 202.7311 4.912162 2019.854       97.47636 1879.000       159.2265 2104.284       123.2765 194.5931 8.379167 206.6042 6.102545 -12.01117      10.36588 
1 1 1 6   20 21 o 245.0499 5.701594 2956.864       136.7593 2816.000       226.7063 3037.450       171.4729 237.5590 9.770433 247.8629 7.074934 -10.30392      12.06300 
1 1 1 6   20 22 o 114.6165 3.871772 645.6704       43.37497 0.000000       0.000000 645.6704       43.37497 ?        ?        114.6165 3.871772 ?              ?        
1 1 1 6   20 23 o 203.9490 6.333853 2056.752       126.2900 0.000000       0.000000 2056.752       126.2900 ?        ?        203.9490 6.333853 ?              ?        
1 1 1 6   20 24 o 118.3127 5.224495 691.2927       60.35448 0.000000       0.000000 691.2927       60.35448 ?        ?        118.3127 5.224495 ?              ?        
1 1 1 6   20 25 o 204.9901 6.413472 2083.567       128.5280 0.000000       0.000000 2083.567       128.5280 ?        ?        204.9901 6.413472 ?              ?        
1 1 1 6   20 26 o 67.79822 6.272301 229.7939       41.15295 0.000000       0.000000 229.7939       41.15295 ?        ?        67.79822 6.272301 ?              ?        
1 1 1 6   20 27 o 133.7828 5.352303 886.8615       69.94711 0.000000       0.000000 886.8615       69.94711 ?        ?        133.7828 5.352303 ?              ?        
1 1 1 6   20 28 f 102.1965 5.312959 518.6697       52.96453 0.000000       0.000000 518.6697       52.96453 ?        ?        102.1965 5.312959 ?              ?        
1 1 1 6   20 29 o 33.66395 10.17185 58.95616       36.34010 0.000000       0.000000 58.95616       36.34010 ?        ?        33.66395 10.17185 ?              ?        
1 1 1 6   20 30 o 173.0820 8.356904 1524.000       141.1621 0.000000       0.000000 1524.000       141.1621 ?        ?        173.0820 8.356904 ?              ?        
1 1 1 6   20 31 o 100.5157 5.346174 504.2169       52.41052 0.000000       0.000000 504.2169       52.41052 ?        ?        100.5157 5.346174 ?              ?        
1 1 1 6   20 32 o 51.09402 11.89416 144.1000       58.36801 0.000000       0.000000 144.1000       58.36801 ?        ?        51.09402 11.89416 ?              ?        
1 1 1 6   20 33 o 113.8753 5.527556 649.5772       61.42848 0.000000       0.000000 649.5772       61.42848 ?        ?        113.8753 5.527556 ?              ?        
1 1 1 6   20 34 o 98.42484 5.523814 486.3581       53.00341 0.000000       0.000000 486.3581       53.00341 ?        ?        98.42484 5.523814 ?              ?        
1 1 1 6   20 35 o 61.22990 7.160181 193.1277       42.10413 0.000000       0.000000 193.1277       42.10413 ?        ?        61.22990 7.160181 ?              ?        
1 1 1 6   20 36 o 57.09652 7.317945 169.1781       39.95921 0.000000       0.000000 169.1781       39.95921 ?        ?        57.09652 7.317945 ?              ?        
1 1 1 6   20 37 o 26.26882 9.927327 29.76733       34.92593 0.000000       0.000000 29.76733       34.92593 ?        ?        26.26882 9.927327 ?              ?        
1 1 1 6   20 38 o 53.76175 7.519507 152.1009       38.48948 0.000000       0.000000 152.1009       38.48948 ?        ?        53.76175 7.519507 ?              ?        
1 1 1 6   20 39 o 69.74520 6.317151 250.9073       42.65905 0.000000       0.000000 250.9073       42.65905 ?        ?        69.74520 6.317151 ?              ?        
1 1 1 6   20 40 o 66.61111 6.398962 230.5980       41.20912 0.000000       0.000000 230.5980       41.20912 ?        ?        66.61111 6.398962 ?              ?        
1 1 1 6   20 41 o 26.67601 9.758480 35.65340       33.23037 0.000000       0.000000 35.65340       33.23037 ?        ?        26.67601 9.758480 ?              ?        
1 1 1 6   20 42 o 24.05189 9.484431 23.69835       32.88273 0.000000       0.000000 23.69835       32.88273 ?        ?        24.05189 9.484431 ?              ?        
1 1 1 6   20 43 o 39.52110 10.67569 93.17000       42.26442 0.000000       0.000000 93.17000       42.26442 ?        ?        39.52110 10.67569 ?              ?        
1 1 1 6   20 44 o 36.09861 9.051033 74.70715       31.91836 0.000000       0.000000 74.70715       31.91836 ?        ?        36.09861 9.051033 ?              ?        
1 1 1 6   20 45 o 30.02019 12.18322 44.33000       55.87780 0.000000       0.000000 44.33000       55.87780 ?        ?        30.02019 12.18322 ?              ?        
1 1 1 6   20 46 o 42.13124 8.149035 99.42640       32.39056 0.000000       0.000000 99.42640       32.39056 ?        ?        42.13124 8.149035 ?              ?        
1 1 1 6   20 47 o 65.97953 5.647418 227.4871       36.12209 0.000000       0.000000 227.4871       36.12209 ?        ?        65.97953 5.647418 ?              ?        
1 1 1 6   20 48 o 22.36162 9.316926 16.42000       33.81694 0.000000       0.000000 16.42000       33.81694 ?        ?        22.36162 9.316926 ?              ?        
1 1 1 6   20 49 o 20.36360 8.400396 13.23363       27.11185 0.000000       0.000000 13.23363       27.11185 ?        ?        20.36360 8.400396 ?              ?        
1 1 1 6   20 50 o 23.48719 9.318296 25.04000       31.91903 0.000000       0.000000 25.04000       31.91903 ?        ?        23.48719 9.318296 ?              ?        
1 1 1 6   20 51 o 45.02386 8.933974 118.7000       37.98247 0.000000       0.000000 118.7000       37.98247 ?        ?        45.02386 8.933974 ?              ?        
1 1 1 6   20 52 o 36.02619 10.11886 80.63000       37.14510 0.000000       0.000000 80.63000       37.14510 ?        ?        36.02619 10.11886 ?              ?        
1 1 1 6   20 53 o 22.65384 8.787322 24.52688       27.84512 0.000000       0.000000 24.52688       27.84512 ?        ?        22.65384 8.787322 ?              ?        
1 1 1 6   20 54 o 23.38326 10.38916 8.415000       47.61097 0.000000       0.000000 8.415000       47.61097 ?        ?        23.38326 10.38916 ?              ?        
1 1 1 6   20 55 o 19.36907 8.068837 11.59740       25.35791 0.000000       0.000000 11.59740       25.35791 ?        ?        19.36907 8.068837 ?              ?        
1 1 1 6   20 56 o 28.45021 8.768952 49.28658       26.83194 0.000000       0.000000 49.28658       26.83194 ?        ?        28.45021 8.768952 ?              ?        
1 1 1 6   21 0  o 495.2457 9.356499 12112.18       453.5658 12450.00       924.2836 12005.03       520.5523 494.7946 19.12019 492.3173 10.80222 2.477325       21.96064 
1 1 1 6   21 1  f 135.8054 3.501293 904.3732       46.50391 934.6000       95.77513 895.0484       53.19553 137.6463 7.132901 135.0608 4.028332 2.585449       8.191809 
1 1 1 6   21 2  o 261.6238 5.235234 3359.433       134.0663 3533.000       276.8642 3306.269       153.2291 266.9162 10.61826 259.4244 6.034263 7.491760       12.21309 
1 1 1 6   21 3  o 441.4165 8.372661 9606.206       361.7581 9863.000       736.8012 9524.639       415.2563 441.9256 17.06522 439.0071 9.663588 2.918457       19.61139 
1 1 1 6   21 4  o 190.0869 4.816940 1773.869       89.55288 1732.000       152.4069 1795.948       110.6741 187.2521 8.336078 191.1167 5.923329 -3.864563      10.22624 
1 1 1 6   21 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   21 6  o 142.6396 5.228256 1000.038       72.87317 0.000000       0.000000 1000.038       72.87317 ?        ?        142.6396 5.228256 ?              ?        
1 1 1 6   21 7  o 52.77940 4.322487 137.5245       22.13535 101.1000       47.84929 147.4419       24.96757 44.29464 11.06829 54.61876 4.716280 -10.32412      12.03123 
1 1 1 6   21 8  o 81.94420 4.296025 330.2123       34.33773 377.3000       58.97931 306.0677       42.23346 87.29314 6.960212 78.75596 5.513393 8.537186       8.879305 
1 1 1 6   21 9  o 130.1684 4.137499 831.7104       52.64991 852.5000       88.95813 820.5020       65.31859 131.4389 6.938999 129.1792 5.176286 2.259659       8.657000 
1 1 1 6   21 10 o 80.64423 4.404843 319.9545       34.63840 370.7000       58.79367 292.9767       42.86813 86.50565 7.003358 77.01360 5.727716 9.492050       9.047307 
1 1 1 6   21 11 o 257.5762 5.948572 3260.816       149.9770 3329.000       263.7227 3228.224       182.3317 258.9230 10.42701 255.9139 7.286254 3.009064       12.72054 
1 1 1 6   21 12 o 174.2643 4.491269 1490.964       76.54585 1516.000       135.0235 1479.106       92.92009 175.1480 7.896165 173.4356 5.480381 1.712479       9.611659 
1 1 1 6   21 13 o 222.8936 4.620545 2438.214       100.8085 2794.000       218.2000 2341.666       113.6664 237.3940 9.408920 218.3380 5.318592 19.05592       10.80811 
1 1 1 6   21 14 o 133.4113 3.951294 873.6990       51.54179 833.0000       88.92072 894.2917       63.25122 129.8410 7.022701 134.8808 4.798494 -5.039810      8.505520 
1 1 1 6   21 15 o 71.10099 3.831765 248.6495       26.56888 224.1000       51.50002 257.5532       31.01492 66.89577 8.025075 72.31014 4.402794 -5.414375      9.153492 
1 1 1 6   21 16 o 74.74911 3.251336 274.4003       23.73199 249.9000       49.90134 281.5613       26.97818 70.81126 7.304209 75.68640 3.652349 -4.875137      8.166463 
1 1 1 6   21 17 o 217.9944 4.532957 2333.413       96.72376 2648.000       205.9404 2244.379       109.5595 230.8989 9.129992 213.6777 5.238228 17.22115       10.52596 
1 1 1 6   21 18 o 74.12183 3.697428 270.1823       26.74107 0.000000       0.000000 270.1823       26.74107 ?        ?        74.12183 3.697428 ?              ?        
1 1 1 6   21 19 o 71.24832 3.217988 249.4230       22.38426 279.7000       43.17224 238.2910       26.17781 75.12623 5.918700 69.57566 3.858997 5.550568       7.065611 
1 1 1 6   21 20 o 30.74260 5.711436 48.03110       16.55418 0.000000       0.000000 48.03110       16.55418 ?        ?        30.74260 5.711436 ?              ?        
1 1 1 6   21 21 o 54.26173 4.125489 145.4731       21.74743 0.000000       0.000000 145.4731       21.74743 ?        ?        54.26173 4.125489 ?              ?        
1 1 1 6   21 22 o 48.33815 7.896467 119.0015       36.07317 0.000000       0.000000 119.0015       36.07317 ?        ?        48.33815 7.896467 ?              ?        
1 1 1 6   21 23 o 121.6014 5.213677 730.4540       61.91257 0.000000       0.000000 730.4540       61.91257 ?        ?        121.6014 5.213677 ?              ?        
1 1 1 6   21 24 o 109.7783 5.294953 596.3545       56.72865 0.000000       0.000000 596.3545       56.72865 ?        ?        109.7783 5.294953 ?              ?        
1 1 1 6   21 25 o 145.1068 5.466276 1042.890       77.50121 0.000000       0.000000 1042.890       77.50121 ?        ?        145.1068 5.466276 ?              ?        
1 1 1 6   21 26 o 91.05460 5.515778 412.1154       48.92978 0.000000       0.000000 412.1154       48.92978 ?        ?        91.05460 5.515778 ?              ?        
1 1 1 6   21 27 o 89.75548 5.611615 401.2771       49.05425 0.000000       0.000000 401.2771       49.05425 ?        ?        89.75548 5.611615 ?              ?        
1 1 1 6   21 28 o 105.9721 7.457177 567.1000       76.85827 0.000000       0.000000 567.1000       76.85827 ?        ?        105.9721 7.457177 ?              ?        
1 1 1 6   21 29 o 107.3006 7.389320 582.9000       77.13521 0.000000       0.000000 582.9000       77.13521 ?        ?        107.3006 7.389320 ?              ?        
1 1 1 6   21 30 o 55.27179 7.234827 156.5825       38.20280 0.000000       0.000000 156.5825       38.20280 ?        ?        55.27179 7.234827 ?              ?        
1 1 1 6   21 31 o 114.8390 7.987400 675.1000       89.22487 0.000000       0.000000 675.1000       89.22487 ?        ?        114.8390 7.987400 ?              ?        
1 1 1 6   21 32 o 101.5659 5.495835 517.0323       54.43359 0.000000       0.000000 517.0323       54.43359 ?        ?        101.5659 5.495835 ?              ?        
1 1 1 6   21 33 o 29.00317 10.34883 40.24873       37.08356 0.000000       0.000000 40.24873       37.08356 ?        ?        29.00317 10.34883 ?              ?        
1 1 1 6   21 34 o 47.89156 8.537174 121.6842       38.55240 0.000000       0.000000 121.6842       38.55240 ?        ?        47.89156 8.537174 ?              ?        
1 1 1 6   21 35 o 48.39631 8.248194 124.1287       37.67327 0.000000       0.000000 124.1287       37.67327 ?        ?        48.39631 8.248194 ?              ?        
1 1 1 6   21 36 o 42.28390 9.140726 97.29182       36.72784 0.000000       0.000000 97.29182       36.72784 ?        ?        42.28390 9.140726 ?              ?        
1 1 1 6   21 37 o 31.58870 10.04345 54.31257       34.92016 0.000000       0.000000 54.31257       34.92016 ?        ?        31.58870 10.04345 ?              ?        
1 1 1 6   21 38 o 59.43758 7.158051 185.3547       40.80760 0.000000       0.000000 185.3547       40.80760 ?        ?        59.43758 7.158051 ?              ?        
1 1 1 6   21 39 o 34.81941 9.892872 69.12312       35.29607 0.000000       0.000000 69.12312       35.29607 ?        ?        34.81941 9.892872 ?              ?        
1 1 1 6   21 40 o 75.43242 5.872792 293.3035       43.02051 0.000000       0.000000 293.3035       43.02051 ?        ?        75.43242 5.872792 ?              ?        
1 1 1 6   21 41 o 59.67470 6.723398 187.8082       38.58947 0.000000       0.000000 187.8082       38.58947 ?        ?        59.67470 6.723398 ?              ?        
1 1 1 6   21 42 o 40.27994 10.77307 97.09000       43.30042 0.000000       0.000000 97.09000       43.30042 ?        ?        40.27994 10.77307 ?              ?        
1 1 1 6   21 43 o 35.24681 9.249085 71.64569       32.30427 0.000000       0.000000 71.64569       32.30427 ?        ?        35.24681 9.249085 ?              ?        
1 1 1 6   21 44 o 62.56382 10.18164 228.3000       60.20950 0.000000       0.000000 228.3000       60.20950 ?        ?        62.56382 10.18164 ?              ?        
1 1 1 6   21 45 o 28.30766 9.329136 45.57978       29.96802 0.000000       0.000000 45.57978       29.96802 ?        ?        28.30766 9.329136 ?              ?        
1 1 1 6   21 46 o 45.56543 7.622897 114.8760       32.79865 0.000000       0.000000 114.8760       32.79865 ?        ?        45.56543 7.622897 ?              ?        
1 1 1 6   21 47 o 27.28556 9.045874 42.66605       28.16281 0.000000       0.000000 42.66605       28.16281 ?        ?        27.28556 9.045874 ?              ?        
1 1 1 6   21 48 o 25.74113 9.039031 36.88184       28.19643 0.000000       0.000000 36.88184       28.19643 ?        ?        25.74113 9.039031 ?              ?        
1 1 1 6   21 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   21 50 o 23.99186 9.475021 27.15000       32.86203 0.000000       0.000000 27.15000       32.86203 ?        ?        23.99186 9.475021 ?              ?        
1 1 1 6   21 51 o 46.41822 9.014881 126.6000       39.48270 0.000000       0.000000 126.6000       39.48270 ?        ?        46.41822 9.014881 ?              ?        
1 1 1 6   21 52 o 23.00006 9.396192 21.83000       33.50051 0.000000       0.000000 21.83000       33.50051 ?        ?        23.00006 9.396192 ?              ?        
1 1 1 6   21 53 o 38.98609 12.30027 105.5000       52.46596 0.000000       0.000000 105.5000       52.46596 ?        ?        38.98609 12.30027 ?              ?        
1 1 1 6   21 54 o 31.51809 8.815742 59.91231       28.25633 0.000000       0.000000 59.91231       28.25633 ?        ?        31.51809 8.815742 ?              ?        
1 1 1 6   21 55 o 38.42057 7.775509 85.49990       28.23653 0.000000       0.000000 85.49990       28.23653 ?        ?        38.42057 7.775509 ?              ?        
1 1 1 6   21 56 o 26.06603 8.741304 40.85711       26.28455 0.000000       0.000000 40.85711       26.28455 ?        ?        26.06603 8.741304 ?              ?        
1 1 1 6   22 0  o 58.07429 3.986893 166.1336       22.52588 205.4000       51.02769 156.6295       25.10439 64.00373 8.343487 56.31842 4.593872 7.685307       9.524570 
1 1 1 6   22 1  o 295.9342 5.806309 4302.604       168.1905 4328.000       338.3260 4294.267       193.8397 294.8447 11.74643 295.4595 6.702525 -0.6148376     13.52414 
1 1 1 6   22 2  o 130.6109 3.460811 836.6290       44.20593 839.5000       90.50895 835.7296       50.65935 130.4020 7.117886 130.4980 3.970591 -0.9599304E-01 8.150454 
1 1 1 6   22 3  o 201.8486 4.306581 1998.273       85.08727 2077.000       174.4282 1973.689       97.47079 204.9308 8.715571 200.5327 4.965730 4.398163       10.03093 
1 1 1 6   22 4  o 393.0062 7.511359 7608.682       288.9510 8039.000       600.3824 7478.961       329.6390 399.5685 15.37949 389.2281 8.652234 10.34048       17.64625 
1 1 1 6   22 5  o 128.9847 3.491948 815.9988       44.04660 751.8000       85.88074 838.9139       51.30887 123.3692 7.142390 130.7397 4.014149 -7.370483      8.193114 
1 1 1 6   22 6  o 290.8697 8.134287 4176.345       231.3649 0.000000       0.000000 4176.345       231.3649 ?        ?        290.8697 8.134287 ?              ?        
1 1 1 6   22 7  o 118.6322 5.170793 692.3034       59.89926 0.000000       0.000000 692.3034       59.89926 ?        ?        118.6322 5.170793 ?              ?        
1 1 1 6   22 8  o 185.5866 4.082569 1689.142       74.16283 1723.000       149.5198 1678.094       85.40971 186.6780 8.202774 184.8542 4.724193 1.823792       9.465913 
1 1 1 6   22 9  o 75.96320 3.949960 283.7310       29.26900 230.9000       53.91385 305.8082       34.85204 67.90303 8.282773 78.81484 4.536836 -10.91181      9.443898 
1 1 1 6   22 10 o 176.8795 5.663276 1539.208       97.92448 1674.000       143.9166 1423.000       133.6274 183.9994 8.009954 169.6036 8.072397 14.39580       11.37203 
1 1 1 6   22 11 o 129.3456 4.179126 821.6027       52.84125 890.4000       90.70364 786.2581       65.01296 134.2691 6.924878 126.4019 5.266141 7.867210       8.699780 
1 1 1 6   22 12 o 178.7264 3.999397 1566.908       69.96638 1787.000       149.3386 1505.011       79.19595 190.0430 8.046334 175.0329 4.626557 15.01003       9.281623 
1 1 1 6   22 13 o 166.9187 4.401777 1368.413       71.85550 1644.000       137.2392 1264.333       84.33968 182.3282 7.707238 160.2991 5.382837 22.02913       9.400875 
1 1 1 6   22 14 o 179.1146 5.623383 1579.258       98.46830 0.000000       0.000000 1579.258       98.46830 ?        ?        179.1146 5.623383 ?              ?        
1 1 1 6   22 15 o 72.87823 3.289593 260.9288       23.40589 281.2000       51.79008 255.7257       26.23833 75.15898 7.124866 72.10699 3.730194 3.051987       8.042267 
1 1 1 6   22 16 o 91.94851 3.148678 414.9749       28.29684 505.7000       59.86953 388.8780       32.10972 101.1465 6.075123 88.95708 3.695699 12.18941       7.110929 
1 1 1 6   22 17 o 183.8798 4.023231 1659.802       72.41278 1817.000       149.4465 1611.572       82.77930 191.3804 7.995392 181.0334 4.675419 10.34705       9.262064 
1 1 1 6   22 18 o 77.96037 4.036949 299.2279       30.70093 0.000000       0.000000 299.2279       30.70093 ?        ?        77.96037 4.036949 ?              ?        
1 1 1 6   22 19 o 111.7892 3.230298 613.5302       35.30961 658.4000       68.03572 596.9895       41.30830 115.3668 6.046004 110.1997 3.835423 5.167068       7.159932 
1 1 1 6   22 20 o 163.8893 3.763999 1319.128       60.38185 1553.000       126.1161 1249.574       68.77713 176.8348 7.301832 159.3463 4.413818 17.48856       8.532207 
1 1 1 6   22 21 o 88.04643 3.064366 380.8221       26.36915 460.4000       48.60338 347.6280       31.39065 96.50823 5.163927 84.02675 3.826643 12.48148       6.427234 
1 1 1 6   22 22 o 107.0891 5.241732 567.2322       54.77785 0.000000       0.000000 567.2322       54.77785 ?        ?        107.0891 5.241732 ?              ?        
1 1 1 6   22 23 o 134.4496 5.343139 894.5703       70.17725 0.000000       0.000000 894.5703       70.17725 ?        ?        134.4496 5.343139 ?              ?        
1 1 1 6   22 24 o 98.57613 5.442227 482.3146       52.30776 0.000000       0.000000 482.3146       52.30776 ?        ?        98.57613 5.442227 ?              ?        
1 1 1 6   22 25 o 65.13120 6.491464 213.2494       40.83400 0.000000       0.000000 213.2494       40.83400 ?        ?        65.13120 6.491464 ?              ?        
1 1 1 6   22 26 o 172.9530 5.913992 1489.320       99.97136 0.000000       0.000000 1489.320       99.97136 ?        ?        172.9530 5.913992 ?              ?        
1 1 1 6   22 27 o 81.29586 7.923469 336.7000       62.25151 0.000000       0.000000 336.7000       62.25151 ?        ?        81.29586 7.923469 ?              ?        
1 1 1 6   22 28 o 150.5742 7.874712 1152.000       115.6590 0.000000       0.000000 1152.000       115.6590 ?        ?        150.5742 7.874712 ?              ?        
1 1 1 6   22 29 o 80.70538 5.854083 327.1226       45.93092 0.000000       0.000000 327.1226       45.93092 ?        ?        80.70538 5.854083 ?              ?        
1 1 1 6   22 30 f 40.27571 12.90773 88.57000       57.58814 0.000000       0.000000 88.57000       57.58814 ?        ?        40.27571 12.90773 ?              ?        
1 1 1 6   22 31 o 66.18635 6.572849 223.0105       42.02018 0.000000       0.000000 223.0105       42.02018 ?        ?        66.18635 6.572849 ?              ?        
1 1 1 6   22 32 o 64.86094 6.628151 214.8193       41.48963 0.000000       0.000000 214.8193       41.48963 ?        ?        64.86094 6.628151 ?              ?        
1 1 1 6   22 33 o 93.92134 5.585263 444.0410       51.11500 0.000000       0.000000 444.0410       51.11500 ?        ?        93.92134 5.585263 ?              ?        
1 1 1 6   22 34 o 80.32704 5.889292 326.9615       45.98350 0.000000       0.000000 326.9615       45.98350 ?        ?        80.32704 5.889292 ?              ?        
1 1 1 6   22 35 o 51.85083 7.545346 140.9664       37.17223 0.000000       0.000000 140.9664       37.17223 ?        ?        51.85083 7.545346 ?              ?        
1 1 1 6   22 36 o 51.75521 7.777346 141.8743       38.18228 0.000000       0.000000 141.8743       38.18228 ?        ?        51.75521 7.777346 ?              ?        
1 1 1 6   22 37 o 76.26012 5.934827 297.9603       43.95227 0.000000       0.000000 297.9603       43.95227 ?        ?        76.26012 5.934827 ?              ?        
1 1 1 6   22 38 o 63.73510 6.597515 211.9677       40.56459 0.000000       0.000000 211.9677       40.56459 ?        ?        63.73510 6.597515 ?              ?        
1 1 1 6   22 39 o 48.19939 7.996264 126.1700       36.40403 0.000000       0.000000 126.1700       36.40403 ?        ?        48.19939 7.996264 ?              ?        
1 1 1 6   22 40 o 58.33211 6.643287 179.2343       37.25605 0.000000       0.000000 179.2343       37.25605 ?        ?        58.33211 6.643287 ?              ?        
1 1 1 6   22 41 o 39.43098 10.58454 92.55000       41.70453 0.000000       0.000000 92.55000       41.70453 ?        ?        39.43098 10.58454 ?              ?        
1 1 1 6   22 42 o 69.25499 6.032997 250.0752       40.48914 0.000000       0.000000 250.0752       40.48914 ?        ?        69.25499 6.032997 ?              ?        
1 1 1 6   22 43 o 32.48904 12.26044 61.93000       53.22795 0.000000       0.000000 61.93000       53.22795 ?        ?        32.48904 12.26044 ?              ?        
1 1 1 6   22 44 o 41.20914 8.456900 96.26881       32.96799 0.000000       0.000000 96.26881       32.96799 ?        ?        41.20914 8.456900 ?              ?        
1 1 1 6   22 45 o 29.58273 9.313844 51.00341       30.09689 0.000000       0.000000 51.00341       30.09689 ?        ?        29.58273 9.313844 ?              ?        
1 1 1 6   22 46 f 22.86900 8.981974 23.46804       29.38765 0.000000       0.000000 23.46804       29.38765 ?        ?        22.86900 8.981974 ?              ?        
1 1 1 6   22 47 o 30.36648 9.103370 54.72108       29.19044 0.000000       0.000000 54.72108       29.19044 ?        ?        30.36648 9.103370 ?              ?        
1 1 1 6   22 48 o 63.40723 5.874395 212.4073       36.04480 0.000000       0.000000 212.4073       36.04480 ?        ?        63.40723 5.874395 ?              ?        
1 1 1 6   22 49 o 47.00311 8.884525 128.9000       39.37857 0.000000       0.000000 128.9000       39.37857 ?        ?        47.00311 8.884525 ?              ?        
1 1 1 6   22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   22 51 o 25.77366 9.798377 35.84000       34.14559 0.000000       0.000000 35.84000       34.14559 ?        ?        25.77366 9.798377 ?              ?        
1 1 1 6   22 52 o 24.16754 10.69859 12.25000       50.03590 0.000000       0.000000 12.25000       50.03590 ?        ?        24.16754 10.69859 ?              ?        
1 1 1 6   22 53 o 16.48123 7.432383 -5.700028      25.36411 0.000000       0.000000 -5.700028      25.36411 ?        ?        16.48123 7.432383 ?              ?        
1 1 1 6   22 54 f 33.85604 8.436233 68.51221       27.85466 0.000000       0.000000 68.51221       27.85466 ?        ?        33.85604 8.436233 ?              ?        
1 1 1 6   22 55 o 16.25859 7.343996 -5.217605      24.88243 0.000000       0.000000 -5.217605      24.88243 ?        ?        16.25859 7.343996 ?              ?        
1 1 1 6   23 0  o 183.8336 4.048224 1657.396       72.84432 1864.000       157.4465 1601.127       82.16741 194.1385 8.304616 180.5666 4.652837 13.57188       9.519219 
1 1 1 6   23 1  o 270.0591 5.385546 3582.529       142.3622 3793.000       295.9845 3519.184       162.3782 276.0793 10.97476 267.5010 6.201489 8.578278       12.60571 
1 1 1 6   23 2  o 118.1064 3.418622 684.2764       39.47967 689.2000       82.19601 682.7999       45.01169 118.0727 7.145501 117.9371 3.904520 0.1355515      8.142694 
1 1 1 6   23 3  o 235.5603 4.823473 2723.808       111.2162 3072.000       240.9994 2629.592       125.3634 248.7807 9.916630 231.3410 5.536200 17.43962       11.35733 
1 1 1 6   23 4  o 305.2722 6.907773 4589.246       206.4104 4459.000       351.4088 4657.854       255.0445 298.8069 12.03943 306.9458 8.497009 -8.138977      14.73591 
1 1 1 6   23 5  o 146.1193 3.605024 1046.740       51.56108 1009.000       102.9365 1059.380       59.57347 142.8826 7.385162 146.9001 4.147244 -4.017410      8.469961 
1 1 1 6   23 6  o 206.4346 4.370610 2091.031       88.31423 2373.000       190.8330 2014.185       99.62441 218.8453 8.927356 202.5218 5.025599 16.32350       10.24472 
1 1 1 6   23 7  o 94.05822 3.895190 434.6295       35.78416 0.000000       0.000000 434.6295       35.78416 ?        ?        94.05822 3.895190 ?              ?        
1 1 1 6   23 8  o 271.6987 10.83236 3679.000       287.5051 0.000000       0.000000 3679.000       287.5051 ?        ?        271.6987 10.83236 ?              ?        
1 1 1 6   23 9  o 135.7785 4.810472 906.4457       63.83196 0.000000       0.000000 906.4457       63.83196 ?        ?        135.7785 4.810472 ?              ?        
1 1 1 6   23 10 o 160.9253 3.770799 1270.118       59.39693 1482.000       129.3225 1213.472       66.86698 173.0967 7.651624 157.1812 4.350335 15.91553       8.801862 
1 1 1 6   23 11 o 261.5182 6.114030 3366.499       156.5077 3709.000       286.0767 3220.201       186.9690 272.6736 10.73948 255.2996 7.490021 17.37396       13.09339 
1 1 1 6   23 12 o 52.88408 7.288808 140.5928       36.72773 128.4000       48.00794 157.8000       57.03157 49.92986 10.16890 55.32663 10.91898 -5.396774      14.92081 
1 1 1 6   23 13 o 188.0543 4.106819 1735.824       75.59532 1927.000       159.6161 1680.543       85.83196 197.0929 8.292221 184.8852 4.746789 12.20769       9.554734 
1 1 1 6   23 14 f 60.24100 3.622325 178.6690       21.26057 170.7000       46.74450 180.7475       23.87270 58.09679 8.469029 60.54682 4.051450 -2.450027      9.388222 
1 1 1 6   23 15 o 82.03292 4.258471 331.3805       34.07679 392.0000       55.08392 293.7976       43.37240 88.92564 6.370573 77.01621 5.795934 11.90942       8.612610 
1 1 1 6   23 16 o 96.49460 3.183023 457.1557       30.02301 546.8000       62.36686 430.1152       34.25312 105.1245 6.087025 93.53545 3.748852 11.58904       7.148829 
1 1 1 6   23 17 o 96.20755 3.176335 454.5162       29.87074 493.5000       59.01744 441.0904       34.63455 99.82386 6.068712 94.71232 3.743286 5.111542       7.130319 
1 1 1 6   23 18 f 181.9367 4.013406 1626.473       71.47260 1940.000       153.8715 1540.217       80.70752 197.3910 7.980329 176.8627 4.666068 20.52834       9.244341 
1 1 1 6   23 19 o 172.6473 4.392724 1467.349       74.17319 1412.000       123.4013 1498.657       92.81000 168.4174 7.504445 174.2082 5.449472 -5.790787      9.274343 
1 1 1 6   23 20 o 53.17369 3.230348 139.3153       16.73396 190.9000       30.38602 116.8602       20.04799 62.01943 5.049056 48.55008 4.261863 13.46936       6.607302 
1 1 1 6   23 21 o 197.7918 4.812112 1929.350       93.16447 1828.000       152.7257 1989.415       117.5737 190.9906 8.188490 200.3373 6.002499 -9.346695      10.15290 
1 1 1 6   23 22 o 65.11981 6.424691 212.6335       40.41875 0.000000       0.000000 212.6335       40.41875 ?        ?        65.11981 6.424691 ?              ?        
1 1 1 6   23 23 o 174.6622 5.889723 1515.692       100.5492 0.000000       0.000000 1515.692       100.5492 ?        ?        174.6622 5.889723 ?              ?        
1 1 1 6   23 24 o 126.1603 5.350567 790.3383       65.92368 0.000000       0.000000 790.3383       65.92368 ?        ?        126.1603 5.350567 ?              ?        
1 1 1 6   23 25 o 188.9197 6.202378 1781.330       114.5388 0.000000       0.000000 1781.330       114.5388 ?        ?        188.9197 6.202378 ?              ?        
1 1 1 6   23 26 o 102.3722 7.461178 530.9000       74.25123 0.000000       0.000000 530.9000       74.25123 ?        ?        102.3722 7.461178 ?              ?        
1 1 1 6   23 27 o 91.37592 5.688525 418.0921       50.62654 0.000000       0.000000 418.0921       50.62654 ?        ?        91.37592 5.688525 ?              ?        
1 1 1 6   23 28 o 82.00629 5.941298 338.2051       47.36742 0.000000       0.000000 338.2051       47.36742 ?        ?        82.00629 5.941298 ?              ?        
1 1 1 6   23 29 o 109.6581 8.012168 617.3000       85.40623 0.000000       0.000000 617.3000       85.40623 ?        ?        109.6581 8.012168 ?              ?        
1 1 1 6   23 30 o 27.43228 10.15178 33.27644       36.13454 0.000000       0.000000 33.27644       36.13454 ?        ?        27.43228 10.15178 ?              ?        
1 1 1 6   23 31 o 90.97593 5.617408 416.5349       49.77891 0.000000       0.000000 416.5349       49.77891 ?        ?        90.97593 5.617408 ?              ?        
1 1 1 6   23 32 o 28.59636 10.17020 39.61448       35.78626 0.000000       0.000000 39.61448       35.78626 ?        ?        28.59636 10.17020 ?              ?        
1 1 1 6   23 33 o 59.12453 7.147050 181.0674       40.52353 0.000000       0.000000 181.0674       40.52353 ?        ?        59.12453 7.147050 ?              ?        
1 1 1 6   23 34 o 57.42236 7.214313 171.6258       39.65643 0.000000       0.000000 171.6258       39.65643 ?        ?        57.42236 7.214313 ?              ?        
1 1 1 6   23 35 f 62.98368 6.507080 204.7710       39.53931 0.000000       0.000000 204.7710       39.53931 ?        ?        62.98368 6.507080 ?              ?        
1 1 1 6   23 36 o 68.09993 6.355534 239.6344       41.87555 0.000000       0.000000 239.6344       41.87555 ?        ?        68.09993 6.355534 ?              ?        
1 1 1 6   23 37 o 63.29348 6.571663 209.0898       40.12178 0.000000       0.000000 209.0898       40.12178 ?        ?        63.29348 6.571663 ?              ?        
1 1 1 6   23 38 o 27.83655 9.848033 40.80045       33.51645 0.000000       0.000000 40.80045       33.51645 ?        ?        27.83655 9.848033 ?              ?        
1 1 1 6   23 39 o 28.95191 10.67183 44.15000       39.86299 0.000000       0.000000 44.15000       39.86299 ?        ?        28.95191 10.67183 ?              ?        
1 1 1 6   23 40 o 35.13731 10.70238 73.45000       40.11908 0.000000       0.000000 73.45000       40.11908 ?        ?        35.13731 10.70238 ?              ?        
1 1 1 6   23 41 o 36.62324 12.56118 84.16000       54.30128 0.000000       0.000000 84.16000       54.30128 ?        ?        36.62324 12.56118 ?              ?        
1 1 1 6   23 42 o 40.21547 8.755507 92.19894       33.48554 0.000000       0.000000 92.19894       33.48554 ?        ?        40.21547 8.755507 ?              ?        
1 1 1 6   23 43 o 55.44361 6.724775 164.5468       35.75000 0.000000       0.000000 164.5468       35.75000 ?        ?        55.44361 6.724775 ?              ?        
1 1 1 6   23 44 o 24.63218 9.183631 30.84306       29.67413 0.000000       0.000000 30.84306       29.67413 ?        ?        24.63218 9.183631 ?              ?        
1 1 1 6   23 45 o 30.31777 9.311299 54.50206       30.28662 0.000000       0.000000 54.50206       30.28662 ?        ?        30.31777 9.311299 ?              ?        
1 1 1 6   23 46 o 20.99557 8.654629 14.90319       28.74910 0.000000       0.000000 14.90319       28.74910 ?        ?        20.99557 8.654629 ?              ?        
1 1 1 6   23 47 o 18.38328 8.004440 2.472947       26.97578 0.000000       0.000000 2.472947       26.97578 ?        ?        18.38328 8.004440 ?              ?        
1 1 1 6   23 48 o 44.07441 9.104015 114.8000       37.97527 0.000000       0.000000 114.8000       37.97527 ?        ?        44.07441 9.104015 ?              ?        
1 1 1 6   23 49 o 18.10163 8.191256 -6.918000      31.12005 0.000000       0.000000 -6.918000      31.12005 ?        ?        18.10163 8.191256 ?              ?        
1 1 1 6   23 50 o 19.24563 8.581160 -1.418000      32.77745 0.000000       0.000000 -1.418000      32.77745 ?        ?        19.24563 8.581160 ?              ?        
1 1 1 6   23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   23 52 o 16.46081 7.451334 -6.858249      25.77831 0.000000       0.000000 -6.858249      25.77831 ?        ?        16.46081 7.451334 ?              ?        
1 1 1 6   23 53 o 53.32862 6.294805 154.6525       32.22610 0.000000       0.000000 154.6525       32.22610 ?        ?        53.32862 6.294805 ?              ?        
1 1 1 6   23 54 o 45.01571 6.936176 113.7532       29.58239 0.000000       0.000000 113.7532       29.58239 ?        ?        45.01571 6.936176 ?              ?        
1 1 1 6   24 0  f 79.61317 3.464492 311.3339       26.93332 230.2000       58.39754 333.2548       30.35448 67.59939 9.053007 82.34624 3.775985 -14.74686      9.808925 
1 1 1 6   24 1  o 157.2946 3.708561 1213.335       57.09861 1199.000       117.1869 1217.797       65.38513 155.6554 7.715506 157.4776 4.245711 -1.822174      8.806537 
1 1 1 6   24 2  o 127.6947 3.421582 799.9837       42.72821 825.4000       90.58057 792.7096       48.45835 129.1784 7.192119 127.0660 3.900747 2.112411       8.181833 
1 1 1 6   24 3  o 189.2880 4.122421 1757.988       76.38033 1806.000       156.8877 1743.073       87.44299 190.9170 8.416017 188.3470 4.746859 2.570023       9.662402 
1 1 1 6   24 4  o 213.4703 4.475886 2236.917       93.52392 2445.000       198.6647 2177.673       106.0050 221.9411 9.164573 210.5236 5.144216 11.41748       10.50963 
1 1 1 6   24 5  o 166.7361 4.453874 1365.653       72.62473 1157.000       117.4859 1494.690       92.39143 152.8430 7.879571 174.2886 5.422318 -21.44562      9.564998 
1 1 1 6   24 6  o 93.87726 3.940360 433.1021       36.12732 391.8000       63.90110 452.5059       43.79908 88.79713 7.419722 95.88110 4.681017 -7.083969      8.772924 
1 1 1 6   24 7  o 89.14376 3.854946 390.5536       33.55736 415.7000       64.05441 381.0412       39.39642 91.51093 7.209235 87.97165 4.591065 3.539276       8.546985 
1 1 1 6   24 8  f 94.55681 4.515484 440.0406       41.67221 0.000000       0.000000 440.0406       41.67221 ?        ?        94.55681 4.515484 ?              ?        
1 1 1 6   24 9  o 92.88358 3.897566 424.0710       35.35675 0.000000       0.000000 424.0710       35.35675 ?        ?        92.88358 3.897566 ?              ?        
1 1 1 6   24 10 o 49.50438 5.781415 122.2588       27.48772 122.8000       48.32839 122.0000       33.41985 48.72731 10.44642 49.20805 7.147309 -0.4807320     12.65748 
1 1 1 6   24 11 o 94.21590 5.226288 437.9478       48.00857 350.2000       62.00423 569.3000       75.86156 83.80285 7.642882 107.0899 7.280428 -23.28708      10.55549 
1 1 1 6   24 12 o 86.40717 4.241744 367.5555       35.76606 305.3000       56.45769 409.2888       46.22485 78.21609 7.464735 91.06269 5.207670 -12.84660      9.101764 
1 1 1 6   24 13 o 91.45202 3.294271 410.7613       29.44074 382.4000       59.24153 420.0629       33.92679 87.69087 6.958877 92.43463 3.757579 -4.743759      7.908563 
1 1 1 6   24 14 o 69.38383 3.393602 236.7644       22.97767 243.4000       49.04379 234.8982       26.00883 69.75028 7.290997 69.05926 3.863022 0.6910248      8.251156 
1 1 1 6   24 15 o 44.72114 4.035305 99.04823       17.47443 108.6000       39.69067 96.75163       19.46214 45.87917 9.159224 44.12045 4.572775 1.758720       10.23727 
1 1 1 6   24 16 o 188.6698 4.097594 1749.650       75.67239 1987.000       160.2028 1681.484       85.85389 199.6085 8.217021 184.7614 4.751196 14.84706       9.491749 
1 1 1 6   24 17 o 167.5316 3.795540 1379.113       62.24099 1495.000       126.7613 1342.298       71.44656 173.2799 7.491341 165.1043 4.424950 8.175598       8.700597 
1 1 1 6   24 18 o 87.49139 3.680723 376.8270       31.45092 0.000000       0.000000 376.8270       31.45092 ?        ?        87.49139 3.680723 ?              ?        
1 1 1 6   24 19 o 133.7137 4.034871 880.5814       52.74904 0.000000       0.000000 880.5814       52.74904 ?        ?        133.7137 4.034871 ?              ?        
1 1 1 6   24 20 o 82.04118 3.036783 330.9772       24.34455 354.3000       42.68306 319.7321       29.63797 84.51306 5.184666 80.52965 3.770456 3.983414       6.410702 
1 1 1 6   24 21 o 109.3232 3.806496 589.0304       40.67062 0.000000       0.000000 589.0304       40.67062 ?        ?        109.3232 3.806496 ?              ?        
1 1 1 6   24 22 o 65.43060 6.405899 215.2283       40.50166 0.000000       0.000000 215.2283       40.50166 ?        ?        65.43060 6.405899 ?              ?        
1 1 1 6   24 23 o 71.78771 6.183779 258.6109       43.02897 0.000000       0.000000 258.6109       43.02897 ?        ?        71.78771 6.183779 ?              ?        
1 1 1 6   24 24 o 84.10284 5.826082 353.9441       47.66513 0.000000       0.000000 353.9441       47.66513 ?        ?        84.10284 5.826082 ?              ?        
1 1 1 6   24 25 o 32.47633 11.68140 49.68000       47.35000 0.000000       0.000000 49.68000       47.35000 ?        ?        32.47633 11.68140 ?              ?        
1 1 1 6   24 26 o 122.3221 5.419791 747.1251       64.73128 0.000000       0.000000 747.1251       64.73128 ?        ?        122.3221 5.419791 ?              ?        
1 1 1 6   24 27 o 39.84892 12.90798 86.34000       57.48846 0.000000       0.000000 86.34000       57.48846 ?        ?        39.84892 12.90798 ?              ?        
1 1 1 6   24 28 o 111.7696 8.098067 643.0000       87.99458 0.000000       0.000000 643.0000       87.99458 ?        ?        111.7696 8.098067 ?              ?        
1 1 1 6   24 29 o 51.53782 8.172482 139.3884       39.85333 0.000000       0.000000 139.3884       39.85333 ?        ?        51.53782 8.172482 ?              ?        
1 1 1 6   24 30 f 67.25052 6.442378 230.5594       41.89009 0.000000       0.000000 230.5594       41.89009 ?        ?        67.25052 6.442378 ?              ?        
1 1 1 6   24 31 o 62.10628 6.876775 198.4797       41.10526 0.000000       0.000000 198.4797       41.10526 ?        ?        62.10628 6.876775 ?              ?        
1 1 1 6   24 32 o 18.02308 8.324471 -22.96141      34.37975 0.000000       0.000000 -22.96141      34.37975 ?        ?        18.02308 8.324471 ?              ?        
1 1 1 6   24 33 o 34.66719 10.10737 66.57192       36.39669 0.000000       0.000000 66.57192       36.39669 ?        ?        34.66719 10.10737 ?              ?        
1 1 1 6   24 34 o 64.51094 6.568072 215.1779       40.89636 0.000000       0.000000 215.1779       40.89636 ?        ?        64.51094 6.568072 ?              ?        
1 1 1 6   24 35 f 37.03799 9.749866 77.55315       35.82367 0.000000       0.000000 77.55315       35.82367 ?        ?        37.03799 9.749866 ?              ?        
1 1 1 6   24 36 o 27.49968 9.936061 38.65821       34.30408 0.000000       0.000000 38.65821       34.30408 ?        ?        27.49968 9.936061 ?              ?        
1 1 1 6   24 37 f 60.35653 6.721471 191.6037       39.03661 0.000000       0.000000 191.6037       39.03661 ?        ?        60.35653 6.721471 ?              ?        
1 1 1 6   24 38 o 41.79679 10.75029 103.9000       44.22907 0.000000       0.000000 103.9000       44.22907 ?        ?        41.79679 10.75029 ?              ?        
1 1 1 6   24 39 o 48.75630 7.798584 129.7421       35.96430 0.000000       0.000000 129.7421       35.96430 ?        ?        48.75630 7.798584 ?              ?        
1 1 1 6   24 40 o 33.28513 12.36661 65.41000       53.71868 0.000000       0.000000 65.41000       53.71868 ?        ?        33.28513 12.36661 ?              ?        
1 1 1 6   24 41 o 39.65424 8.813785 89.95540       33.32350 0.000000       0.000000 89.95540       33.32350 ?        ?        39.65424 8.813785 ?              ?        
1 1 1 6   24 42 o 29.84453 9.589550 51.80984       31.77077 0.000000       0.000000 51.80984       31.77077 ?        ?        29.84453 9.589550 ?              ?        
1 1 1 6   24 43 o 19.57405 8.450102 4.706960       29.54248 0.000000       0.000000 4.706960       29.54248 ?        ?        19.57405 8.450102 ?              ?        
1 1 1 6   24 44 o 15.97364 7.423074 -17.32383      27.97042 0.000000       0.000000 -17.32383      27.97042 ?        ?        15.97364 7.423074 ?              ?        
1 1 1 6   24 45 f 40.63307 8.302705 94.86067       31.90553 0.000000       0.000000 94.86067       31.90553 ?        ?        40.63307 8.302705 ?              ?        
1 1 1 6   24 46 o 33.23306 9.000154 65.66872       29.99285 0.000000       0.000000 65.66872       29.99285 ?        ?        33.23306 9.000154 ?              ?        
1 1 1 6   24 47 o 17.74906 8.100884 -10.07000      31.25708 0.000000       0.000000 -10.07000      31.25708 ?        ?        17.74906 8.100884 ?              ?        
1 1 1 6   24 48 o 36.50053 9.848677 82.31000       35.99420 0.000000       0.000000 82.31000       35.99420 ?        ?        36.50053 9.848677 ?              ?        
1 1 1 6   24 49 o 29.58645 10.08674 53.48000       35.00339 0.000000       0.000000 53.48000       35.00339 ?        ?        29.58645 10.08674 ?              ?        
1 1 1 6   24 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   24 51 o 31.38391 8.906831 59.35629       28.62670 0.000000       0.000000 59.35629       28.62670 ?        ?        31.38391 8.906831 ?              ?        
1 1 1 6   24 52 o 26.26440 11.12789 32.57000       49.52007 0.000000       0.000000 32.57000       49.52007 ?        ?        26.26440 11.12789 ?              ?        
1 1 1 6   24 53 o 31.81409 8.503442 61.34720       26.98813 0.000000       0.000000 61.34720       26.98813 ?        ?        31.81409 8.503442 ?              ?        
1 1 1 6   24 54 f 28.75869 8.783554 51.23196       26.99843 0.000000       0.000000 51.23196       26.99843 ?        ?        28.75869 8.783554 ?              ?        
1 1 1 6   25 0  o 198.4904 4.263208 1934.240       82.82899 1863.000       164.2012 1958.555       95.92804 193.6664 8.684043 199.6328 4.909164 -5.966354      9.975595 
1 1 1 6   25 1  o 293.3761 5.784655 4236.679       166.1148 4387.000       340.9936 4189.905       190.2110 295.6428 11.80721 291.4776 6.666904 4.165161       13.55941 
1 1 1 6   25 2  o 186.7146 4.775549 1714.081       87.20695 1544.000       144.2824 1811.979       109.4647 176.3516 8.382483 191.7601 5.838698 -15.40842      10.21550 
1 1 1 6   25 3  o 104.3921 3.384236 534.9804       34.53507 481.0000       70.92464 551.7567       39.53901 98.39097 7.419029 105.9744 3.817938 -7.583450      8.343779 
1 1 1 6   25 4  o 190.9688 4.156193 1790.333       77.68987 1842.000       159.0942 1774.154       89.02637 192.6013 8.459597 189.9485 4.792073 2.652710       9.722589 
1 1 1 6   25 5  o 194.4869 4.899017 1860.410       93.18796 1727.000       155.8671 1934.624       116.2533 186.4279 8.564440 198.0868 6.002673 -11.65886      10.45857 
1 1 1 6   25 6  o 233.3132 5.523780 2679.177       126.1485 2919.000       231.9624 2578.461       150.3209 241.8816 9.817753 228.4793 6.728832 13.40230       11.90233 
1 1 1 6   25 7  o 122.5925 4.720755 739.7371       56.54174 733.6000       84.09641 744.8000       76.38313 121.6489 7.093349 122.7253 6.380444 -1.076462      9.540737 
1 1 1 6   25 8  o 90.36824 3.429327 401.1727       30.27905 382.2000       63.12883 406.8416       34.50738 87.59146 7.433217 90.95764 3.884793 -3.366180      8.387153 
1 1 1 6   25 9  o 106.3546 4.699572 557.1591       48.80307 0.000000       0.000000 557.1591       48.80307 ?        ?        106.3546 4.699572 ?              ?        
1 1 1 6   25 10 o 168.1231 5.451905 1393.580       89.59983 0.000000       0.000000 1393.580       89.59983 ?        ?        168.1231 5.451905 ?              ?        
1 1 1 6   25 11 o 92.22960 3.680871 418.2372       33.16301 461.9000       63.38446 401.7797       38.91424 96.42507 6.758424 90.30141 4.415977 6.123657       8.073236 
1 1 1 6   25 12 o 94.53372 5.145989 441.4230       47.43743 503.7000       63.98228 365.4000       70.69170 100.7318 6.524235 85.24812 8.588793 15.48363       10.78578 
1 1 1 6   25 13 o 82.85545 4.188081 338.3431       33.85569 340.0000       54.60951 337.3087       43.14840 82.58841 6.815898 82.54365 5.369555 0.4476166E-01  8.676900 
1 1 1 6   25 14 o 53.71841 3.758683 142.4590       19.63885 188.8000       42.92820 130.1932       22.08549 61.25144 7.303853 51.24926 4.446602 10.00218       8.550938 
1 1 1 6   25 15 o 34.46832 4.935041 59.72000       16.17558 25.21000       35.95626 68.47630       18.11183 26.36926 10.04767 36.91519 5.152661 -10.54592      11.29183 
1 1 1 6   25 16 o 57.28975 3.315279 161.7255       18.51161 206.8000       39.53016 149.0643       20.95082 64.28929 6.365264 54.91647 3.923401 9.372822       7.477276 
1 1 1 6   25 17 o 101.2107 3.377965 503.8617       33.41788 563.7000       60.77637 477.9305       40.00879 106.5397 5.850425 98.44005 4.161580 8.099632       7.179570 
1 1 1 6   25 18 o 100.3620 3.086505 495.1951       30.28488 603.4000       61.07447 459.9140       34.87444 110.2273 5.679776 96.62173 3.694256 13.60560       6.775498 
1 1 1 6   25 19 o 69.47056 3.072820 237.5665       20.84339 273.7000       38.33625 222.4025       24.83484 74.17251 5.315566 67.10876 3.796213 7.063751       6.531958 
1 1 1 6   25 20 o 64.75068 3.022027 206.4683       19.10070 233.7000       33.31144 193.1293       23.31408 68.54704 4.999130 62.50031 3.829303 6.046726       6.297211 
1 1 1 6   25 21 o 36.65750 9.622442 71.14864       34.95744 0.000000       0.000000 71.14864       34.95744 ?        ?        36.65750 9.622442 ?              ?        
1 1 1 6   25 22 o 149.0357 5.542058 1105.874       80.70685 0.000000       0.000000 1105.874       80.70685 ?        ?        149.0357 5.542058 ?              ?        
1 1 1 6   25 23 o 71.19068 7.993606 259.9000       54.74100 0.000000       0.000000 259.9000       54.74100 ?        ?        71.19068 7.993606 ?              ?        
1 1 1 6   25 24 o 97.25314 7.467927 481.4000       70.54629 0.000000       0.000000 481.4000       70.54629 ?        ?        97.25314 7.467927 ?              ?        
1 1 1 6   25 25 o 82.46456 5.904927 342.0479       47.34826 0.000000       0.000000 342.0479       47.34826 ?        ?        82.46456 5.904927 ?              ?        
1 1 1 6   25 26 f 81.61095 9.048123 348.0000       71.06620 0.000000       0.000000 348.0000       71.06620 ?        ?        81.61095 9.048123 ?              ?        
1 1 1 6   25 27 o 82.25707 6.328767 342.8855       50.56491 0.000000       0.000000 342.8855       50.56491 ?        ?        82.25707 6.328767 ?              ?        
1 1 1 6   25 28 o 79.17368 6.241473 318.0201       47.97887 0.000000       0.000000 318.0201       47.97887 ?        ?        79.17368 6.241473 ?              ?        
1 1 1 6   25 29 o 34.61517 10.40255 65.20241       38.08202 0.000000       0.000000 65.20241       38.08202 ?        ?        34.61517 10.40255 ?              ?        
1 1 1 6   25 30 o 43.12772 9.214972 101.0012       37.71968 0.000000       0.000000 101.0012       37.71968 ?        ?        43.12772 9.214972 ?              ?        
1 1 1 6   25 31 o 69.57047 6.316957 247.5163       42.54842 0.000000       0.000000 247.5163       42.54842 ?        ?        69.57047 6.316957 ?              ?        
1 1 1 6   25 32 o 67.62647 6.375256 234.9975       41.70283 0.000000       0.000000 234.9975       41.70283 ?        ?        67.62647 6.375256 ?              ?        
1 1 1 6   25 33 o 49.95753 8.140055 133.9015       38.43546 0.000000       0.000000 133.9015       38.43546 ?        ?        49.95753 8.140055 ?              ?        
1 1 1 6   25 34 o 38.79574 9.739451 85.27848       36.92514 0.000000       0.000000 85.27848       36.92514 ?        ?        38.79574 9.739451 ?              ?        
1 1 1 6   25 35 o 48.25394 8.385612 127.6317       38.17045 0.000000       0.000000 127.6317       38.17045 ?        ?        48.25394 8.385612 ?              ?        
1 1 1 6   25 36 o 28.89934 9.736489 45.92371       32.60791 0.000000       0.000000 45.92371       32.60791 ?        ?        28.89934 9.736489 ?              ?        
1 1 1 6   25 37 o 63.18526 8.228389 218.2000       49.68277 0.000000       0.000000 218.2000       49.68277 ?        ?        63.18526 8.228389 ?              ?        
1 1 1 6   25 38 o 31.22339 9.736004 56.20632       32.96751 0.000000       0.000000 56.20632       32.96751 ?        ?        31.22339 9.736004 ?              ?        
1 1 1 6   25 39 o 27.87638 11.69131 29.45000       53.77606 0.000000       0.000000 29.45000       53.77606 ?        ?        27.87638 11.69131 ?              ?        
1 1 1 6   25 40 o 73.74464 5.574605 282.1370       39.94133 0.000000       0.000000 282.1370       39.94133 ?        ?        73.74464 5.574605 ?              ?        
1 1 1 6   25 41 o 20.25532 8.590176 8.564744       29.55716 0.000000       0.000000 8.564744       29.55716 ?        ?        20.25532 8.590176 ?              ?        
1 1 1 6   25 42 o 28.40226 9.452966 46.48070       30.74750 0.000000       0.000000 46.48070       30.74750 ?        ?        28.40226 9.452966 ?              ?        
1 1 1 6   25 43 o 20.51148 8.618892 11.33735       29.31217 0.000000       0.000000 11.33735       29.31217 ?        ?        20.51148 8.618892 ?              ?        
1 1 1 6   25 44 o 49.04446 7.065729 132.0636       32.94246 0.000000       0.000000 132.0636       32.94246 ?        ?        49.04446 7.065729 ?              ?        
1 1 1 6   25 45 o 29.18693 10.22971 51.07000       36.10284 0.000000       0.000000 51.07000       36.10284 ?        ?        29.18693 10.22971 ?              ?        
1 1 1 6   25 46 o 20.44742 8.859376 7.069000       32.71037 0.000000       0.000000 7.069000       32.71037 ?        ?        20.44742 8.859376 ?              ?        
1 1 1 6   25 47 o 19.72890 8.657001 3.370000       32.09055 0.000000       0.000000 3.370000       32.09055 ?        ?        19.72890 8.657001 ?              ?        
1 1 1 6   25 48 o 12.66939 6.296234 -64.71000      30.28509 0.000000       0.000000 -64.71000      30.28509 ?        ?        12.66939 6.296234 ?              ?        
1 1 1 6   25 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   25 50 o 25.07213 8.979494 35.45114       27.94582 0.000000       0.000000 35.45114       27.94582 ?        ?        25.07213 8.979494 ?              ?        
1 1 1 6   25 51 o 34.26566 8.551445 70.32509       28.58858 0.000000       0.000000 70.32509       28.58858 ?        ?        34.26566 8.551445 ?              ?        
1 1 1 6   25 52 o 20.89019 8.382729 19.14138       26.12588 0.000000       0.000000 19.14138       26.12588 ?        ?        20.89019 8.382729 ?              ?        
1 1 1 6   25 53 o 22.08375 10.04241 2.358000       47.47980 0.000000       0.000000 2.358000       47.47980 ?        ?        22.08375 10.04241 ?              ?        
1 1 1 6   26 0  o 157.1916 3.714733 1212.758       57.15619 1247.000       118.7766 1202.439       65.20163 158.4791 7.679757 156.3935 4.263230 2.085587       8.783723 
1 1 1 6   26 1  o 88.53185 3.406685 385.0867       29.46636 361.1000       63.02192 391.7974       33.33439 85.05012 7.651979 89.25648 3.824322 -4.206360      8.554427 
1 1 1 6   26 2  o 243.0315 4.956794 2905.571       117.9151 2886.000       235.8840 2912.091       136.1463 240.1048 10.05899 243.0971 5.721632 -2.992264      11.57240 
1 1 1 6   26 3  o 116.4156 4.013544 666.3326       45.66627 591.9000       78.40559 704.5455       56.17862 109.1023 7.385398 119.5937 4.808869 -10.49138      8.813021 
1 1 1 6   26 4  f 150.7177 5.242293 1119.671       77.22002 0.000000       0.000000 1119.671       77.22002 ?        ?        150.7177 5.242293 ?              ?        
1 1 1 6   26 5  o 68.84048 5.284201 234.7097       35.33428 329.9000       57.67053 177.5000       44.70873 81.30406 7.325084 59.31696 7.896251 21.98710       10.77068 
1 1 1 6   26 6  o 157.9184 3.744132 1224.393       57.87489 1227.000       117.6216 1223.561       66.47923 157.1125 7.671584 157.7254 4.310081 -0.6128845     8.799432 
1 1 1 6   26 7  o 121.7541 3.412405 728.0612       40.62765 880.8000       90.53168 689.5438       45.46266 133.2195 6.966885 118.4189 3.927614 14.80053       7.997727 
1 1 1 6   26 8  o 130.9025 4.065742 842.8358       52.03162 871.2000       93.28179 830.0250       62.69003 132.3853 7.226048 129.7478 4.945248 2.637482       8.756212 
1 1 1 6   26 9  o 90.09785 3.962426 399.6511       34.85927 480.3000       66.70091 369.3459       40.88751 98.21246 6.983960 86.47742 4.849816 11.73505       8.502730 
1 1 1 6   26 10 o 151.0146 4.218161 1122.339       62.29061 0.000000       0.000000 1122.339       62.29061 ?        ?        151.0146 4.218161 ?              ?        
1 1 1 6   26 11 o 90.00107 3.793447 398.7429       33.34364 0.000000       0.000000 398.7429       33.34364 ?        ?        90.00107 3.793447 ?              ?        
1 1 1 6   26 12 o 85.80579 3.291976 362.0291       27.59771 329.9000       54.70612 372.9969       31.96296 81.23560 6.946519 87.03637 3.760677 -5.800774      7.899166 
1 1 1 6   26 13 o 181.8394 5.750367 1636.957       102.2218 1874.000       153.2605 1447.000       137.1967 193.4974 8.109851 169.9103 8.274192 23.58713       11.58585 
1 1 1 6   26 14 o 91.08018 3.620299 408.4560       32.21132 517.7000       59.94498 364.1071       38.19400 102.0445 6.028318 85.82924 4.562647 16.21529       7.560316 
1 1 1 6   26 15 o 106.7611 3.209914 560.4456       33.50571 630.3000       67.61176 537.7064       38.57557 112.5391 6.161302 104.4762 3.778369 8.062866       7.227566 
1 1 1 6   26 16 o 116.2818 3.591801 665.7649       40.83281 734.0000       74.20863 636.1343       48.90132 121.3694 6.267765 113.4881 4.410540 7.881302       7.664055 
1 1 1 6   26 17 o 70.81416 3.113852 246.9034       21.53085 278.9000       42.77943 236.0488       24.91672 74.71808 5.897065 69.15154 3.694555 5.566544       6.958815 
1 1 1 6   26 18 o 79.42310 3.051139 310.4918       23.67590 356.5000       45.54641 293.4567       27.71457 84.58355 5.531611 77.10886 3.682602 7.474693       6.645320 
1 1 1 6   26 19 o 65.02423 3.097729 208.3657       19.65957 246.4000       36.82030 193.1989       23.25128 70.25919 5.395279 62.49323 3.819326 7.765968       6.610317 
1 1 1 6   26 20 o 69.19749 3.070513 235.9671       20.74553 269.4000       36.03936 219.3989       25.37039 73.53667 5.037299 66.57442 3.910481 6.962250       6.377009 
1 1 1 6   26 21 o 72.67409 6.030998 265.5646       42.51570 0.000000       0.000000 265.5646       42.51570 ?        ?        72.67409 6.030998 ?              ?        
1 1 1 6   26 22 o 63.12656 8.615106 207.2000       51.84515 0.000000       0.000000 207.2000       51.84515 ?        ?        63.12656 8.615106 ?              ?        
1 1 1 6   26 23 o 69.24236 8.399301 248.5000       55.76476 0.000000       0.000000 248.5000       55.76476 ?        ?        69.24236 8.399301 ?              ?        
1 1 1 6   26 24 o 74.68173 6.165359 281.9018       44.66798 0.000000       0.000000 281.9018       44.66798 ?        ?        74.68173 6.165359 ?              ?        
1 1 1 6   26 25 o 60.34802 11.43478 200.2000       65.07383 0.000000       0.000000 200.2000       65.07383 ?        ?        60.34802 11.43478 ?              ?        
1 1 1 6   26 26 o 154.4038 5.802191 1199.071       87.53526 0.000000       0.000000 1199.071       87.53526 ?        ?        154.4038 5.802191 ?              ?        
1 1 1 6   26 27 o 51.21701 8.658066 139.2569       41.85978 0.000000       0.000000 139.2569       41.85978 ?        ?        51.21701 8.658066 ?              ?        
1 1 1 6   26 28 o 93.63683 5.829045 443.2659       53.16076 0.000000       0.000000 443.2659       53.16076 ?        ?        93.63683 5.829045 ?              ?        
1 1 1 6   26 29 o 27.77211 10.44065 34.41334       38.51828 0.000000       0.000000 34.41334       38.51828 ?        ?        27.77211 10.44065 ?              ?        
1 1 1 6   26 30 o 40.75046 9.575297 91.59004       37.54222 0.000000       0.000000 91.59004       37.54222 ?        ?        40.75046 9.575297 ?              ?        
1 1 1 6   26 31 o 76.64162 6.066714 300.5890       45.14085 0.000000       0.000000 300.5890       45.14085 ?        ?        76.64162 6.066714 ?              ?        
1 1 1 6   26 32 o 37.52870 9.791775 79.48367       36.34223 0.000000       0.000000 79.48367       36.34223 ?        ?        37.52870 9.791775 ?              ?        
1 1 1 6   26 33 o 50.69183 8.066306 138.8570       38.68410 0.000000       0.000000 138.8570       38.68410 ?        ?        50.69183 8.066306 ?              ?        
1 1 1 6   26 34 o 40.15643 9.654691 92.33205       37.47981 0.000000       0.000000 92.33205       37.47981 ?        ?        40.15643 9.654691 ?              ?        
1 1 1 6   26 35 o 45.71410 8.387597 115.4766       36.14867 0.000000       0.000000 115.4766       36.14867 ?        ?        45.71410 8.387597 ?              ?        
1 1 1 6   26 36 o 30.67136 10.83409 53.19000       40.55158 0.000000       0.000000 53.19000       40.55158 ?        ?        30.67136 10.83409 ?              ?        
1 1 1 6   26 37 o 40.60772 8.773634 93.47881       33.85341 0.000000       0.000000 93.47881       33.85341 ?        ?        40.60772 8.773634 ?              ?        
1 1 1 6   26 38 f 32.58879 12.33243 61.92000       53.94141 0.000000       0.000000 61.92000       53.94141 ?        ?        32.58879 12.33243 ?              ?        
1 1 1 6   26 39 f 44.36488 7.912369 109.3175       33.09951 0.000000       0.000000 109.3175       33.09951 ?        ?        44.36488 7.912369 ?              ?        
1 1 1 6   26 40 o 30.72743 9.471353 55.45955       31.30211 0.000000       0.000000 55.45955       31.30211 ?        ?        30.72743 9.471353 ?              ?        
1 1 1 6   26 41 o 21.08133 8.751931 13.53575       29.68641 0.000000       0.000000 13.53575       29.68641 ?        ?        21.08133 8.751931 ?              ?        
1 1 1 6   26 42 o 38.44588 8.748275 86.32612       32.17797 0.000000       0.000000 86.32612       32.17797 ?        ?        38.44588 8.748275 ?              ?        
1 1 1 6   26 43 o 56.68663 6.342571 172.5155       34.59010 0.000000       0.000000 172.5155       34.59010 ?        ?        56.68663 6.342571 ?              ?        
1 1 1 6   26 44 o 35.22527 8.820888 73.45322       30.34352 0.000000       0.000000 73.45322       30.34352 ?        ?        35.22527 8.820888 ?              ?        
1 1 1 6   26 45 o 41.95322 9.692133 107.2000       38.99998 0.000000       0.000000 107.2000       38.99998 ?        ?        41.95322 9.692133 ?              ?        
1 1 1 6   26 46 o 29.74319 10.06321 54.29000       34.83336 0.000000       0.000000 54.29000       34.83336 ?        ?        29.74319 10.06321 ?              ?        
1 1 1 6   26 47 o 41.51852 9.736246 105.7000       38.87774 0.000000       0.000000 105.7000       38.87774 ?        ?        41.51852 9.736246 ?              ?        
1 1 1 6   26 48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   26 49 o 28.55681 9.938157 49.83000       34.03913 0.000000       0.000000 49.83000       34.03913 ?        ?        28.55681 9.938157 ?              ?        
1 1 1 6   26 50 o 39.49532 7.912009 90.42892       29.52015 0.000000       0.000000 90.42892       29.52015 ?        ?        39.49532 7.912009 ?              ?        
1 1 1 6   26 51 o 28.10380 8.750904 48.12933       26.64378 0.000000       0.000000 48.12933       26.64378 ?        ?        28.10380 8.750904 ?              ?        
1 1 1 6   26 52 o 19.08775 8.019428 11.35773       25.37052 0.000000       0.000000 11.35773       25.37052 ?        ?        19.08775 8.019428 ?              ?        
1 1 1 6   27 0  o 129.3868 3.427494 822.4222       43.37008 909.5000       94.19479 798.9959       48.85690 135.2381 7.141073 127.4551 3.920842 7.783058       8.146651 
1 1 1 6   27 1  o 105.8942 3.324882 550.9436       34.42041 576.2000       73.86573 543.9382       38.90226 107.5799 7.053548 105.1576 3.785622 2.422356       8.005215 
1 1 1 6   27 2  o 88.55782 3.976140 386.2011       34.37841 381.5000       62.71296 388.2207       41.10500 87.35609 7.403961 88.67290 4.753216 -1.316811      8.798391 
1 1 1 6   27 3  o 84.91672 4.815995 356.2325       39.86589 385.8000       62.09548 335.5000       51.99694 87.87118 7.284919 82.07608 6.525939 5.795097       9.780487 
1 1 1 6   27 4  o 98.97693 3.763019 481.9991       36.39024 536.7000       70.49996 462.1313       42.48795 103.8037 6.979130 96.80215 4.496376 7.001511       8.302148 
1 1 1 6   27 5  o 103.7675 5.095520 532.0685       51.59716 458.5000       69.11337 624.7000       77.55241 95.77777 7.430172 111.9718 7.112643 -16.19403      10.28577 
1 1 1 6   27 6  o 113.8935 4.015079 638.5720       44.69091 708.8000       81.27460 608.1344       53.50624 119.3141 6.989776 110.9757 4.938095 8.338402       8.558140 
1 1 1 6   27 7  o 109.3288 3.934182 588.4113       42.03262 571.6000       75.17941 596.0560       50.69656 107.0175 7.219161 109.8970 4.723913 -2.879517      8.627378 
1 1 1 6   27 8  o 96.29789 3.376164 455.9963       31.77416 479.0000       68.17053 449.6118       35.91384 97.90945 7.162774 95.55313 3.847687 2.356316       8.130808 
1 1 1 6   27 9  o 64.37585 3.801226 204.4714       23.84600 159.1000       52.35580 216.3470       26.78555 55.34573 10.03376 66.17442 4.156265 -10.82869      10.86052 
1 1 1 6   27 10 o 43.93243 4.828803 96.32582       20.42302 136.6000       46.12021 86.50207       22.77805 51.28840 9.537790 41.42279 5.774615 9.865616       11.14969 
1 1 1 6   27 11 o 78.69186 3.916839 305.4640       30.07492 0.000000       0.000000 305.4640       30.07492 ?        ?        78.69186 3.916839 ?              ?        
1 1 1 6   27 12 f 86.59837 3.293113 369.0627       27.86317 463.4000       59.09769 342.0987       31.59524 96.38612 6.298476 83.27826 3.886721 13.10786       7.401176 
1 1 1 6   27 13 o 100.4913 3.948118 498.0821       38.75956 553.5000       64.15926 466.2340       48.63808 105.3455 6.250197 96.95702 5.143366 8.388451       8.094392 
1 1 1 6   27 14 o 135.9759 4.143591 912.3318       55.08558 957.8000       92.32037 887.1945       68.64415 138.3662 6.837677 133.7569 5.253231 4.609329       8.622659 
1 1 1 6   27 15 o 19.44571 6.923947 16.40861       16.59146 7.536000       33.73278 19.24000       19.05575 22.38750 9.314711 20.92498 7.423446 1.462523       11.91098 
1 1 1 6   27 16 o 71.97240 3.181884 255.2445       22.36051 301.2000       45.35549 240.4882       25.70097 77.55336 6.021954 69.75879 3.778053 7.794571       7.108981 
1 1 1 6   27 17 o 48.23510 3.566156 115.2178       16.71812 121.3000       34.06858 113.2885       19.18717 48.60854 7.393020 47.72843 4.148187 0.8801117      8.477275 
1 1 1 6   27 18 f 17.61246 5.617012 15.16429       10.91564 25.27000       26.22474 13.04656       12.00500 24.04849 8.687751 17.00876 5.902984 7.039728       10.50344 
1 1 1 6   27 19 o 101.6893 3.171853 509.5868       31.53285 593.7000       60.21473 477.8042       37.01390 108.9717 5.664695 98.30218 3.854234 10.66948       6.851561 
1 1 1 6   27 20 o 41.64923 3.465273 86.11907       13.99916 106.6000       25.14372 76.91801       16.85286 45.86427 5.725117 39.15084 4.478179 6.713428       7.268497 
1 1 1 6   27 21 o 45.80852 10.54333 114.1000       46.29393 0.000000       0.000000 114.1000       46.29393 ?        ?        45.80852 10.54333 ?              ?        
1 1 1 6   27 22 o 63.36779 6.789442 204.9321       41.45655 0.000000       0.000000 204.9321       41.45655 ?        ?        63.36779 6.789442 ?              ?        
1 1 1 6   27 23 o 42.74421 9.581751 98.79554       39.09594 0.000000       0.000000 98.79554       39.09594 ?        ?        42.74421 9.581751 ?              ?        
1 1 1 6   27 24 o 71.21674 10.28821 272.7000       69.64167 0.000000       0.000000 272.7000       69.64167 ?        ?        71.21674 10.28821 ?              ?        
1 1 1 6   27 25 o 85.95010 6.197366 374.6661       51.78857 0.000000       0.000000 374.6661       51.78857 ?        ?        85.95010 6.197366 ?              ?        
1 1 1 6   27 26 o 60.33029 7.637406 189.4563       44.09208 0.000000       0.000000 189.4563       44.09208 ?        ?        60.33029 7.637406 ?              ?        
1 1 1 6   27 27 o 98.07612 5.749383 486.5027       54.95178 0.000000       0.000000 486.5027       54.95178 ?        ?        98.07612 5.749383 ?              ?        
1 1 1 6   27 28 o 50.88246 8.641983 138.6918       41.50353 0.000000       0.000000 138.6918       41.50353 ?        ?        50.88246 8.641983 ?              ?        
1 1 1 6   27 29 o 94.09068 5.753563 449.7199       52.73614 0.000000       0.000000 449.7199       52.73614 ?        ?        94.09068 5.753563 ?              ?        
1 1 1 6   27 30 o 45.55210 9.017097 113.8964       38.78173 0.000000       0.000000 113.8964       38.78173 ?        ?        45.55210 9.017097 ?              ?        
1 1 1 6   27 31 o 42.64681 9.490544 102.0608       38.59649 0.000000       0.000000 102.0608       38.59649 ?        ?        42.64681 9.490544 ?              ?        
1 1 1 6   27 32 o 68.86069 6.497788 247.2527       43.27903 0.000000       0.000000 247.2527       43.27903 ?        ?        68.86069 6.497788 ?              ?        
1 1 1 6   27 33 o 49.25825 8.035212 132.3186       37.40773 0.000000       0.000000 132.3186       37.40773 ?        ?        49.25825 8.035212 ?              ?        
1 1 1 6   27 34 o 72.31876 6.028110 271.7457       42.28382 0.000000       0.000000 271.7457       42.28382 ?        ?        72.31876 6.028110 ?              ?        
1 1 1 6   27 35 o 36.63060 11.08100 81.24000       43.10893 0.000000       0.000000 81.24000       43.10893 ?        ?        36.63060 11.08100 ?              ?        
1 1 1 6   27 36 o 40.83941 8.727168 94.55506       33.82796 0.000000       0.000000 94.55506       33.82796 ?        ?        40.83941 8.727168 ?              ?        
1 1 1 6   27 37 o 31.00297 12.19094 52.31000       54.19213 0.000000       0.000000 52.31000       54.19213 ?        ?        31.00297 12.19094 ?              ?        
1 1 1 6   27 38 o 33.52432 9.443665 66.20727       32.30417 0.000000       0.000000 66.20727       32.30417 ?        ?        33.52432 9.443665 ?              ?        
1 1 1 6   27 39 o 25.69585 9.516870 34.69926       31.76751 0.000000       0.000000 34.69926       31.76751 ?        ?        25.69585 9.516870 ?              ?        
1 1 1 6   27 40 o 32.96470 9.423036 64.79528       31.92706 0.000000       0.000000 64.79528       31.92706 ?        ?        32.96470 9.423036 ?              ?        
1 1 1 6   27 41 f 21.72301 8.931001 16.98175       30.50918 0.000000       0.000000 16.98175       30.50918 ?        ?        21.72301 8.931001 ?              ?        
1 1 1 6   27 42 o 61.19398 6.120170 199.8325       36.16750 0.000000       0.000000 199.8325       36.16750 ?        ?        61.19398 6.120170 ?              ?        
1 1 1 6   27 43 o 44.59079 7.760645 112.2376       32.64294 0.000000       0.000000 112.2376       32.64294 ?        ?        44.59079 7.760645 ?              ?        
1 1 1 6   27 44 o 32.78954 10.46474 68.17000       37.88211 0.000000       0.000000 68.17000       37.88211 ?        ?        32.78954 10.46474 ?              ?        
1 1 1 6   27 45 o 29.16045 10.09348 51.93000       35.08914 0.000000       0.000000 51.93000       35.08914 ?        ?        29.16045 10.09348 ?              ?        
1 1 1 6   27 46 o 23.23710 9.516569 22.82000       34.47024 0.000000       0.000000 22.82000       34.47024 ?        ?        23.23710 9.516569 ?              ?        
1 1 1 6   27 47 o 30.88704 10.53299 60.62000       38.16952 0.000000       0.000000 60.62000       38.16952 ?        ?        30.88704 10.53299 ?              ?        
1 1 1 6   27 48 o 19.37420 8.562987 2.108000       31.93020 0.000000       0.000000 2.108000       31.93020 ?        ?        19.37420 8.562987 ?              ?        
1 1 1 6   27 49 o 32.15897 8.872458 63.05788       28.83660 0.000000       0.000000 63.05788       28.83660 ?        ?        32.15897 8.872458 ?              ?        
1 1 1 6   27 50 o 24.99774 8.738279 36.59630       26.33222 0.000000       0.000000 36.59630       26.33222 ?        ?        24.99774 8.738279 ?              ?        
1 1 1 6   27 51 o 17.71587 7.708219 4.383857       24.97776 0.000000       0.000000 4.383857       24.97776 ?        ?        17.71587 7.708219 ?              ?        
1 1 1 6   28 0  o 112.3792 3.335561 620.9183       36.65052 608.4000       77.33710 624.5441       41.62111 110.3227 7.201065 112.6342 3.780534 -2.311432      8.133128 
1 1 1 6   28 1  o 137.0793 3.526129 924.0756       47.27325 912.1000       96.56004 927.8508       54.21481 135.1183 7.328337 137.2565 4.039723 -2.138184      8.368028 
1 1 1 6   28 2  o 167.6904 4.417116 1386.248       72.43939 1421.000       130.1170 1370.639       87.20316 168.4486 7.913640 166.4595 5.358998 1.989029       9.557435 
1 1 1 6   28 3  o 185.5436 4.701842 1698.714       85.32378 1752.000       152.8561 1674.596       102.8359 186.7919 8.381586 183.8615 5.721059 2.930389       10.14798 
1 1 1 6   28 4  o 120.9336 3.422647 719.2629       40.47420 655.8000       81.85257 739.8021       46.56538 114.4611 7.344566 122.5638 3.886370 -8.102684      8.309423 
1 1 1 6   28 5  o 72.11391 4.274884 257.0540       30.03976 192.9000       55.26395 283.9590       35.78870 61.13965 9.546333 75.70181 4.855448 -14.56215      10.71018 
1 1 1 6   28 6  o 59.10823 4.686746 173.4186       26.89418 108.3000       50.80789 198.7665       31.69930 45.11760 11.47884 63.21553 5.168010 -18.09793      12.58857 
1 1 1 6   28 7  o 63.64257 3.803919 200.0196       23.58842 223.8000       53.33613 194.2374       26.30033 66.25146 8.414238 62.63147 4.316449 3.619991       9.456803 
1 1 1 6   28 8  o 113.6087 3.810241 636.0004       42.31119 634.3000       77.73576 636.7162       50.43689 112.5225 7.094004 113.5093 4.548740 -0.9868011     8.427094 
1 1 1 6   28 9  o 100.4600 3.377817 496.7870       33.16786 471.7000       69.25401 504.2541       37.78294 96.84437 7.360878 101.1315 3.823720 -4.287094      8.294779 
1 1 1 6   28 10 o 32.10557 6.452290 53.09712       19.57268 45.54000       46.29860 54.74160       21.59751 31.89036 11.54035 32.50943 6.994738 -0.6190701     13.49467 
1 1 1 6   28 11 f 94.72517 3.823704 442.7121       35.38037 0.000000       0.000000 442.7121       35.38037 ?        ?        94.72517 3.823704 ?              ?        
1 1 1 6   28 12 o 22.30887 7.538440 23.48255       19.54704 0.000000       0.000000 23.48255       19.54704 ?        ?        22.30887 7.538440 ?              ?        
1 1 1 6   28 13 o 53.33252 3.809055 140.8972       19.75363 174.2000       41.65985 131.2380       22.43619 58.43637 7.452659 51.33562 4.510848 7.100746       8.711479 
1 1 1 6   28 14 o 110.5815 3.994947 604.1448       43.17033 733.0000       74.18607 538.1693       53.08395 121.0049 6.284982 104.0076 5.231043 16.99731       8.177091 
1 1 1 6   28 15 o 175.9320 4.595048 1533.356       79.06228 0.000000       0.000000 1533.356       79.06228 ?        ?        175.9320 4.595048 ?              ?        
1 1 1 6   28 16 o 26.19312 5.801577 35.53017       14.48210 37.70000       32.59202 34.99636       16.16566 28.07572 9.727207 25.93065 6.406770 2.145067       11.64754 
1 1 1 6   28 17 o 14.70667 5.889921 5.463335       12.87173 30.69000       28.36603 -1.078000      14.44448 25.71019 9.063041 13.71211 5.914023 11.99808       10.82194 
1 1 1 6   28 18 f 70.40776 3.178609 244.7030       21.84955 240.0000       40.59373 246.6213       25.92539 68.95284 6.076624 70.56258 3.767226 -1.609734      7.149640 
1 1 1 6   28 19 o 56.73145 3.120157 159.0314       17.25961 180.7000       31.91169 150.0719       20.51991 59.91079 5.503180 54.96925 3.837833 4.941532       6.709243 
1 1 1 6   28 20 o 35.92807 4.676647 65.18470       16.05660 0.000000       0.000000 65.18470       16.05660 ?        ?        35.92807 4.676647 ?              ?        
1 1 1 6   28 21 o 28.98086 10.04108 41.46530       34.72940 0.000000       0.000000 41.46530       34.72940 ?        ?        28.98086 10.04108 ?              ?        
1 1 1 6   28 22 o 51.72533 12.35429 151.6000       61.68801 0.000000       0.000000 151.6000       61.68801 ?        ?        51.72533 12.35429 ?              ?        
1 1 1 6   28 23 o 90.13834 8.908252 427.0000       77.57082 0.000000       0.000000 427.0000       77.57082 ?        ?        90.13834 8.908252 ?              ?        
1 1 1 6   28 24 o 61.24630 7.429998 194.6186       43.63266 0.000000       0.000000 194.6186       43.63266 ?        ?        61.24630 7.429998 ?              ?        
1 1 1 6   28 25 o 71.91644 6.642345 265.2518       46.22990 0.000000       0.000000 265.2518       46.22990 ?        ?        71.91644 6.642345 ?              ?        
1 1 1 6   28 26 o 28.72788 10.53990 39.33384       38.80933 0.000000       0.000000 39.33384       38.80933 ?        ?        28.72788 10.53990 ?              ?        
1 1 1 6   28 27 o 64.66796 7.269166 217.8988       45.21706 0.000000       0.000000 217.8988       45.21706 ?        ?        64.66796 7.269166 ?              ?        
1 1 1 6   28 28 o 17.64368 8.297550 -32.48922      36.71244 0.000000       0.000000 -32.48922      36.71244 ?        ?        17.64368 8.297550 ?              ?        
1 1 1 6   28 29 o 63.22115 6.936666 209.0244       42.22178 0.000000       0.000000 209.0244       42.22178 ?        ?        63.22115 6.936666 ?              ?        
1 1 1 6   28 30 o 55.40657 7.802946 164.6256       41.14749 0.000000       0.000000 164.6256       41.14749 ?        ?        55.40657 7.802946 ?              ?        
1 1 1 6   28 31 o 68.29812 6.637302 244.6431       43.81284 0.000000       0.000000 244.6431       43.81284 ?        ?        68.29812 6.637302 ?              ?        
1 1 1 6   28 32 o 33.85848 10.08310 66.62284       35.90287 0.000000       0.000000 66.62284       35.90287 ?        ?        33.85848 10.08310 ?              ?        
1 1 1 6   28 33 o 53.05960 9.790159 161.6000       48.97361 0.000000       0.000000 161.6000       48.97361 ?        ?        53.05960 9.790159 ?              ?        
1 1 1 6   28 34 o 28.24160 10.64921 41.58000       40.13925 0.000000       0.000000 41.58000       40.13925 ?        ?        28.24160 10.64921 ?              ?        
1 1 1 6   28 35 o 30.16334 9.788476 52.45669       33.05059 0.000000       0.000000 52.45669       33.05059 ?        ?        30.16334 9.788476 ?              ?        
1 1 1 6   28 36 o 27.56060 11.54767 29.95000       52.38499 0.000000       0.000000 29.95000       52.38499 ?        ?        27.56060 11.54767 ?              ?        
1 1 1 6   28 37 o 39.67993 8.700426 90.32376       32.85921 0.000000       0.000000 90.32376       32.85921 ?        ?        39.67993 8.700426 ?              ?        
1 1 1 6   28 38 o 33.33638 9.613563 66.41152       33.09172 0.000000       0.000000 66.41152       33.09172 ?        ?        33.33638 9.613563 ?              ?        
1 1 1 6   28 39 o 84.57018 5.569587 373.4673       45.84819 0.000000       0.000000 373.4673       45.84819 ?        ?        84.57018 5.569587 ?              ?        
1 1 1 6   28 40 o 31.66945 9.638832 60.97592       32.54980 0.000000       0.000000 60.97592       32.54980 ?        ?        31.66945 9.638832 ?              ?        
1 1 1 6   28 41 o 33.37766 9.169755 67.11958       30.87525 0.000000       0.000000 67.11958       30.87525 ?        ?        33.37766 9.169755 ?              ?        
1 1 1 6   28 42 o 36.68336 8.891746 79.95121       31.59093 0.000000       0.000000 79.95121       31.59093 ?        ?        36.68336 8.891746 ?              ?        
1 1 1 6   28 43 o 21.77518 9.309676 12.91000       35.20969 0.000000       0.000000 12.91000       35.20969 ?        ?        21.77518 9.309676 ?              ?        
1 1 1 6   28 44 o 39.88563 9.651978 97.71000       37.27117 0.000000       0.000000 97.71000       37.27117 ?        ?        39.88563 9.651978 ?              ?        
1 1 1 6   28 45 o 24.30175 9.815987 27.84000       36.07877 0.000000       0.000000 27.84000       36.07877 ?        ?        24.30175 9.815987 ?              ?        
1 1 1 6   28 46 o 23.24041 9.550977 22.99000       34.87365 0.000000       0.000000 22.99000       34.87365 ?        ?        23.24041 9.550977 ?              ?        
1 1 1 6   28 47 o 14.70247 7.092604 -36.54000      30.58151 0.000000       0.000000 -36.54000      30.58151 ?        ?        14.70247 7.092604 ?              ?        
1 1 1 6   28 48 o 28.99600 8.938248 51.31038       27.87699 0.000000       0.000000 51.31038       27.87699 ?        ?        28.99600 8.938248 ?              ?        
1 1 1 6   28 49 o 16.42490 7.401943 -4.548094      25.10765 0.000000       0.000000 -4.548094      25.10765 ?        ?        16.42490 7.401943 ?              ?        
1 1 1 6   28 50 o 19.99783 8.212029 15.91140       25.75546 0.000000       0.000000 15.91140       25.75546 ?        ?        19.99783 8.212029 ?              ?        
1 1 1 6   29 0  o 88.09571 3.315860 382.1300       28.54180 417.8000       63.28512 373.0219       31.97880 91.14998 7.150343 86.96182 3.765807 4.188156       8.081381 
1 1 1 6   29 1  o 139.7499 5.010694 967.2312       68.43086 911.8000       97.52099 1021.000       96.04755 134.7334 7.423323 142.8447 6.889668 -8.111374      10.12785 
1 1 1 6   29 2  o 35.01099 5.949780 62.51189       19.66083 72.24000       46.55349 60.40012       21.69008 37.26472 11.56148 34.23784 6.712184 3.026882       13.36867 
1 1 1 6   29 3  o 126.4892 3.446212 787.6439       42.62820 771.1000       88.27150 792.6757       48.68101 123.8935 7.311408 126.7824 3.927520 -2.888947      8.299523 
1 1 1 6   29 4  o 64.47598 4.531060 206.2775       28.41385 151.6000       53.21786 228.0790       33.60447 53.54501 10.52930 67.69228 5.109399 -14.14727      11.70351 
1 1 1 6   29 5  o 74.59771 4.218608 275.3809       30.67802 292.8000       58.90474 268.8976       35.93645 75.86213 8.055666 73.54246 5.022328 2.319672       9.493026 
1 1 1 6   29 6  o 38.85991 5.508057 76.35853       20.36467 103.8000       48.42936 70.46397       22.44557 43.97404 11.21715 37.09386 6.413888 6.880177       12.92139 
1 1 1 6   29 7  o 130.8699 3.484031 843.6293       44.59042 1049.000       101.1814 794.1298       49.67431 144.4827 7.176955 126.8380 4.006094 17.64465       8.219336 
1 1 1 6   29 8  o 39.36734 5.557112 78.43442       20.81880 -30.59000      47.30635 104.6214       23.18464 21.42773 9.849127 45.63218 5.288468 -24.20444      11.17914 
1 1 1 6   29 9  o 67.97944 3.755554 228.4501       24.89240 271.0000       56.47941 218.1924       27.73102 72.83479 8.056719 66.32823 4.294393 6.506561       9.129761 
1 1 1 6   29 10 o 27.86618 7.112821 40.46939       19.46408 41.99000       46.01526 40.13803       21.48037 31.00534 11.45924 27.77911 7.655074 3.226227       13.78094 
1 1 1 6   29 11 o 41.21231 5.041113 85.46684       19.91286 27.41000       40.76556 103.6607       22.82069 27.42154 10.63354 45.40046 5.230756 -17.97892      11.85044 
1 1 1 6   29 12 f 44.42859 5.168919 99.32906       22.05932 0.000000       0.000000 99.32906       22.05932 ?        ?        44.42859 5.168919 ?              ?        
1 1 1 6   29 13 o 52.74878 4.424933 138.7050       22.63642 0.000000       0.000000 138.7050       22.63642 ?        ?        52.74878 4.424933 ?              ?        
1 1 1 6   29 14 o 92.88148 3.187724 425.4281       28.93822 530.5000       60.95033 394.8499       32.88052 102.7440 6.087857 89.34200 3.768366 13.40203       7.159790 
1 1 1 6   29 15 o 82.32440 4.156221 336.2892       33.38306 440.7000       55.34042 276.5610       41.85615 93.57892 6.074512 74.13843 5.814278 19.44049       8.408658 
1 1 1 6   29 16 o 119.7124 3.335786 707.2412       39.04988 885.4000       82.24104 655.3822       44.37075 132.5477 6.357379 115.0451 3.946080 17.50261       7.482501 
1 1 1 6   29 17 o 18.84949 6.143630 17.32564       13.01202 25.44000       29.26475 15.32616       14.52698 24.54042 9.125761 18.45236 6.487350 6.088068       11.19666 
1 1 1 6   29 18 o 31.75329 4.653579 51.14806       14.03465 47.39000       27.01915 52.53669       16.42418 29.91598 8.704590 31.99773 5.438382 -2.081743      10.26381 
1 1 1 6   29 19 o 120.2849 4.162806 718.5040       48.93824 786.3000       74.07725 666.0000       65.18974 124.8283 6.080991 115.0136 5.809416 9.814667       8.409980 
1 1 1 6   29 20 o 31.96593 3.892051 51.34091       11.92717 0.000000       0.000000 51.34091       11.92717 ?        ?        31.96593 3.892051 ?              ?        
1 1 1 6   29 21 o 25.21870 11.35311 -15.71000      58.89230 0.000000       0.000000 -15.71000      58.89230 ?        ?        25.21870 11.35311 ?              ?        
1 1 1 6   29 22 o 128.5730 5.533942 832.0125       69.48202 0.000000       0.000000 832.0125       69.48202 ?        ?        128.5730 5.533942 ?              ?        
1 1 1 6   29 23 o 63.40803 7.219157 208.4692       44.00907 0.000000       0.000000 208.4692       44.00907 ?        ?        63.40803 7.219157 ?              ?        
1 1 1 6   29 24 o 57.31936 7.693050 172.4418       42.07364 0.000000       0.000000 172.4418       42.07364 ?        ?        57.31936 7.693050 ?              ?        
1 1 1 6   29 25 o 58.90343 7.710793 182.4921       43.39118 0.000000       0.000000 182.4921       43.39118 ?        ?        58.90343 7.710793 ?              ?        
1 1 1 6   29 26 o 66.21415 7.026693 228.4302       44.84715 0.000000       0.000000 228.4302       44.84715 ?        ?        66.21415 7.026693 ?              ?        
1 1 1 6   29 27 o 90.94425 5.859953 422.9781       51.88693 0.000000       0.000000 422.9781       51.88693 ?        ?        90.94425 5.859953 ?              ?        
1 1 1 6   29 28 o 68.22635 6.823457 243.5273       44.95758 0.000000       0.000000 243.5273       44.95758 ?        ?        68.22635 6.823457 ?              ?        
1 1 1 6   29 29 o 65.64059 6.989280 227.4123       44.21692 0.000000       0.000000 227.4123       44.21692 ?        ?        65.64059 6.989280 ?              ?        
1 1 1 6   29 30 o 34.93296 10.32825 71.49249       37.77900 0.000000       0.000000 71.49249       37.77900 ?        ?        34.93296 10.32825 ?              ?        
1 1 1 6   29 31 o 56.52832 7.309519 171.4499       39.49874 0.000000       0.000000 171.4499       39.49874 ?        ?        56.52832 7.309519 ?              ?        
1 1 1 6   29 32 f 39.88683 11.00605 96.77000       44.36958 0.000000       0.000000 96.77000       44.36958 ?        ?        39.88683 11.00605 ?              ?        
1 1 1 6   29 33 o 53.15419 7.561377 153.7939       38.23260 0.000000       0.000000 153.7939       38.23260 ?        ?        53.15419 7.561377 ?              ?        
1 1 1 6   29 34 o 55.09585 11.78973 188.2000       61.66009 0.000000       0.000000 188.2000       61.66009 ?        ?        55.09585 11.78973 ?              ?        
1 1 1 6   29 35 o 32.80352 9.696153 63.80757       33.29984 0.000000       0.000000 63.80757       33.29984 ?        ?        32.80352 9.696153 ?              ?        
1 1 1 6   29 36 o 26.30462 9.516110 37.49894       31.47796 0.000000       0.000000 37.49894       31.47796 ?        ?        26.30462 9.516110 ?              ?        
1 1 1 6   29 37 o 23.15845 9.128950 23.73676       30.45456 0.000000       0.000000 23.73676       30.45456 ?        ?        23.15845 9.128950 ?              ?        
1 1 1 6   29 38 f 42.70760 8.440676 104.8066       34.03347 0.000000       0.000000 104.8066       34.03347 ?        ?        42.70760 8.440676 ?              ?        
1 1 1 6   29 39 o 37.02240 9.274354 82.43298       33.53452 0.000000       0.000000 82.43298       33.53452 ?        ?        37.02240 9.274354 ?              ?        
1 1 1 6   29 40 o 25.33337 9.321588 35.40408       30.39156 0.000000       0.000000 35.40408       30.39156 ?        ?        25.33337 9.321588 ?              ?        
1 1 1 6   29 41 o 24.33656 9.203261 31.00935       30.02861 0.000000       0.000000 31.00935       30.02861 ?        ?        24.33656 9.203261 ?              ?        
1 1 1 6   29 42 o 49.31598 9.171660 144.8000       42.64422 0.000000       0.000000 144.8000       42.64422 ?        ?        49.31598 9.171660 ?              ?        
1 1 1 6   29 43 o 19.66250 8.655114 3.171000       32.30886 0.000000       0.000000 3.171000       32.30886 ?        ?        19.66250 8.655114 ?              ?        
1 1 1 6   29 44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   29 45 o 33.61175 10.39468 72.91000       37.66585 0.000000       0.000000 72.91000       37.66585 ?        ?        33.61175 10.39468 ?              ?        
1 1 1 6   29 46 o 23.85019 9.554612 27.71000       33.88242 0.000000       0.000000 27.71000       33.88242 ?        ?        23.85019 9.554612 ?              ?        
1 1 1 6   29 47 o 14.92572 7.007191 -18.64612      25.98496 0.000000       0.000000 -18.64612      25.98496 ?        ?        14.92572 7.007191 ?              ?        
1 1 1 6   29 48 o 17.50383 7.723353 1.205201       25.87162 0.000000       0.000000 1.205201       25.87162 ?        ?        17.50383 7.723353 ?              ?        
1 1 1 6   29 49 o 19.83350 8.147434 15.56835       25.36343 0.000000       0.000000 15.56835       25.36343 ?        ?        19.83350 8.147434 ?              ?        
1 1 1 6   30 0  o 52.79445 5.654638 140.1790       28.76662 112.1000       49.61277 154.4000       35.30762 45.53944 11.20732 55.15871 6.675189 -9.619267      13.04462 
1 1 1 6   30 1  o 102.6607 3.947248 520.7498       39.59085 459.1000       70.06777 549.6638       47.98508 95.15949 7.585198 105.2792 4.668087 -10.11966      8.906529 
1 1 1 6   30 2  o 89.87252 3.393448 398.2521       29.79844 429.5000       66.17645 390.3049       33.37327 92.09011 7.403835 88.87644 3.845340 3.213669       8.342866 
1 1 1 6   30 3  o 58.18163 4.900485 168.9233       27.64897 221.8000       53.79221 149.9379       32.23269 65.55720 8.589269 54.48050 6.151814 11.07669       10.56505 
1 1 1 6   30 4  o 187.7193 4.830060 1747.423       88.67613 1745.000       154.8453 1748.606       108.1704 185.0189 8.573499 187.1767 5.911467 -2.157837      10.41395 
1 1 1 6   30 5  o 50.68948 4.430589 128.0447       21.76218 130.7000       49.80629 127.4182       24.19384 49.33160 10.62856 50.44986 4.963558 -1.118256      11.73044 
1 1 1 6   30 6  o 102.8315 3.390739 521.4405       34.08258 588.8000       74.32334 503.5037       38.35288 107.9564 7.072433 100.9253 3.889603 7.031036       8.071451 
1 1 1 6   30 7  o 87.60461 3.440030 378.7506       29.44085 405.1000       64.37640 371.7824       33.10563 89.28130 7.433867 86.68823 3.911612 2.593071       8.400184 
1 1 1 6   30 8  o 84.24917 4.012091 351.4971       32.99080 401.1000       63.34558 333.0352       38.64563 88.83041 7.351075 81.78004 4.849548 7.050377       8.806612 
1 1 1 6   30 9  o 67.11742 3.769516 223.0944       24.66484 231.1000       55.16847 221.0945       27.57411 66.70773 8.652740 66.70999 4.244856 -0.2258301E-02 9.637879 
1 1 1 6   30 10 o 72.49374 3.667022 260.0783       25.93626 303.1000       57.91413 249.2851       29.00779 76.85291 7.806939 70.84659 4.201889 6.006325       8.865899 
1 1 1 6   30 11 o 66.38442 3.669821 218.2514       23.75331 250.6000       48.17863 207.8632       27.30219 70.06325 7.124159 64.62742 4.341112 5.435829       8.342595 
1 1 1 6   30 12 o 22.40541 7.116609 25.13365       17.53667 2.913000       35.20737 32.46566       20.22400 21.83718 9.322048 25.11725 7.587980 -3.280075      12.01990 
1 1 1 6   30 13 o 94.32514 3.793210 440.5304       34.95054 0.000000       0.000000 440.5304       34.95054 ?        ?        94.32514 3.793210 ?              ?        
1 1 1 6   30 14 o 26.28056 6.476680 36.16838       16.55176 46.06000       34.19084 33.14072       18.91602 30.03359 9.967408 25.22915 7.266211 4.804441       12.33479 
1 1 1 6   30 15 o 31.44196 7.466197 52.31730       22.63385 29.96000       32.89632 72.41542       31.19001 26.16816 9.685819 36.72123 8.793731 -10.55307      13.08223 
1 1 1 6   30 16 o 69.48900 3.270931 238.8224       22.18570 264.9000       43.84600 229.8482       25.72140 72.22031 6.264362 68.02295 3.879156 4.197365       7.368180 
1 1 1 6   30 17 o 62.19070 3.524679 191.7877       21.36829 226.3000       39.34626 177.3506       25.44816 66.75252 6.088803 59.57896 4.394655 7.173553       7.509095 
1 1 1 6   30 18 o 45.05944 3.619942 101.0914       15.83168 165.1000       32.74714 81.56773       18.08568 56.94999 5.962825 40.19780 4.684157 16.75219       7.582652 
1 1 1 6   30 19 o 56.58801 3.288254 158.7034       18.13515 167.2000       34.21516 155.3839       21.38636 57.20153 6.210440 55.83971 3.938056 1.361820       7.353765 
1 1 1 6   30 20 o 90.56759 3.642430 406.8641       32.22430 0.000000       0.000000 406.8641       32.22430 ?        ?        90.56759 3.642430 ?              ?        
1 1 1 6   30 21 o 67.08691 11.43667 251.9000       72.40965 0.000000       0.000000 251.9000       72.40965 ?        ?        67.08691 11.43667 ?              ?        
1 1 1 6   30 22 f 58.38620 7.637317 178.8523       42.60194 0.000000       0.000000 178.8523       42.60194 ?        ?        58.38620 7.637317 ?              ?        
1 1 1 6   30 23 o 53.29616 8.381216 151.8568       42.28108 0.000000       0.000000 151.8568       42.28108 ?        ?        53.29616 8.381216 ?              ?        
1 1 1 6   30 24 o 49.17733 8.897202 131.8189       41.25152 0.000000       0.000000 131.8189       41.25152 ?        ?        49.17733 8.897202 ?              ?        
1 1 1 6   30 25 o 65.44588 7.147011 224.6358       45.04063 0.000000       0.000000 224.6358       45.04063 ?        ?        65.44588 7.147011 ?              ?        
1 1 1 6   30 26 o 37.49409 10.30965 81.05352       39.00926 0.000000       0.000000 81.05352       39.00926 ?        ?        37.49409 10.30965 ?              ?        
1 1 1 6   30 27 o 34.29469 10.47033 68.20624       38.36837 0.000000       0.000000 68.20624       38.36837 ?        ?        34.29469 10.47033 ?              ?        
1 1 1 6   30 28 o 20.87665 9.144044 0.7884659      35.65788 0.000000       0.000000 0.7884659      35.65788 ?        ?        20.87665 9.144044 ?              ?        
1 1 1 6   30 29 o 72.70067 6.234570 276.0005       43.93813 0.000000       0.000000 276.0005       43.93813 ?        ?        72.70067 6.234570 ?              ?        
1 1 1 6   30 30 o 70.70222 6.390534 262.6219       43.74888 0.000000       0.000000 262.6219       43.74888 ?        ?        70.70222 6.390534 ?              ?        
1 1 1 6   30 31 o 74.11943 8.207062 301.8000       58.54591 0.000000       0.000000 301.8000       58.54591 ?        ?        74.11943 8.207062 ?              ?        
1 1 1 6   30 32 o 70.34004 6.132878 259.5671       41.80356 0.000000       0.000000 259.5671       41.80356 ?        ?        70.34004 6.132878 ?              ?        
1 1 1 6   30 33 o 32.89341 12.66959 64.82000       57.58509 0.000000       0.000000 64.82000       57.58509 ?        ?        32.89341 12.66959 ?              ?        
1 1 1 6   30 34 o 26.02228 9.639884 35.75055       32.59727 0.000000       0.000000 35.75055       32.59727 ?        ?        26.02228 9.639884 ?              ?        
1 1 1 6   30 35 o 19.02733 8.407273 -0.6393746     30.75837 0.000000       0.000000 -0.6393746     30.75837 ?        ?        19.02733 8.407273 ?              ?        
1 1 1 6   30 36 o 33.86726 9.457591 68.70956       32.54863 0.000000       0.000000 68.70956       32.54863 ?        ?        33.86726 9.457591 ?              ?        
1 1 1 6   30 37 o 45.67737 7.975766 118.1638       34.36305 0.000000       0.000000 118.1638       34.36305 ?        ?        45.67737 7.975766 ?              ?        
1 1 1 6   30 38 o 27.26842 9.575088 43.35239       31.63983 0.000000       0.000000 43.35239       31.63983 ?        ?        27.26842 9.575088 ?              ?        
1 1 1 6   30 39 o 21.88159 8.911235 19.21342       30.01720 0.000000       0.000000 19.21342       30.01720 ?        ?        21.88159 8.911235 ?              ?        
1 1 1 6   30 40 o 17.36890 8.131168 -21.26000      34.57148 0.000000       0.000000 -21.26000      34.57148 ?        ?        17.36890 8.131168 ?              ?        
1 1 1 6   30 41 o 18.86221 8.551034 -6.194000      34.10025 0.000000       0.000000 -6.194000      34.10025 ?        ?        18.86221 8.551034 ?              ?        
1 1 1 6   30 42 o 33.08588 10.23502 69.82000       36.51458 0.000000       0.000000 69.82000       36.51458 ?        ?        33.08588 10.23502 ?              ?        
1 1 1 6   30 43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   30 44 o 24.50666 9.737865 30.63000       34.90976 0.000000       0.000000 30.63000       34.90976 ?        ?        24.50666 9.737865 ?              ?        
1 1 1 6   30 45 o 31.20570 10.19367 62.41000       35.81258 0.000000       0.000000 62.41000       35.81258 ?        ?        31.20570 10.19367 ?              ?        
1 1 1 6   30 46 o 32.50222 8.777819 64.57967       28.57673 0.000000       0.000000 64.57967       28.57673 ?        ?        32.50222 8.777819 ?              ?        
1 1 1 6   30 47 o 16.46084 7.463240 -5.863347      25.98512 0.000000       0.000000 -5.863347      25.98512 ?        ?        16.46084 7.463240 ?              ?        
1 1 1 6   30 48 o 25.63549 8.858973 40.15528       27.02624 0.000000       0.000000 40.15528       27.02624 ?        ?        25.63549 8.858973 ?              ?        
1 1 1 6   31 0  o 30.24579 7.259129 48.07962       21.21704 84.77000       45.85649 38.08561       23.93286 39.42257 11.30075 27.15640 8.265056 12.26616       14.00065 
1 1 1 6   31 1  o 110.7978 3.974653 607.7692       43.03603 612.8000       77.12820 605.4948       51.85976 109.8326 7.214179 110.2958 4.815187 -0.4632111     8.673547 
1 1 1 6   31 2  o 74.81640 4.283390 278.1225       31.23718 320.3000       57.85487 260.7679       37.11138 79.10609 7.563778 72.15054 5.291667 6.955551       9.231061 
1 1 1 6   31 3  o 87.77302 4.077914 381.9945       34.93950 363.9000       63.73674 389.7680       41.77580 84.22213 7.820734 88.42980 4.844873 -4.207672      9.199820 
1 1 1 6   31 4  o 103.3095 4.814146 531.5342       48.54781 0.000000       0.000000 531.5342       48.54781 ?        ?        103.3095 4.814146 ?              ?        
1 1 1 6   31 5  o 34.14472 6.158174 60.17552       19.82467 14.60000       47.63527 69.72296       21.80250 26.58095 11.06500 36.78283 6.280888 -10.20188      12.72335 
1 1 1 6   31 6  o 30.07784 6.769036 47.36605       19.44600 73.14000       47.37179 42.14275       21.32561 36.88424 11.69432 28.29917 7.556642 8.585066       13.92336 
1 1 1 6   31 7  o 49.81401 4.530888 124.1412       21.85082 149.7000       50.88266 118.3620       24.19542 52.68542 10.23567 48.46890 5.180145 4.216522       11.47183 
1 1 1 6   31 8  o 50.74293 4.459163 128.7287       21.92301 168.4000       51.17698 119.8127       24.26184 56.19077 9.652406 48.76400 5.161223 7.426773       10.94565 
1 1 1 6   31 9  o 85.82587 3.482480 364.2566       29.19511 492.9000       66.15666 333.1445       32.53451 98.44933 6.909087 81.91666 4.070317 16.53268       8.018913 
1 1 1 6   31 10 o 68.94772 4.415098 236.9354       29.64000 138.8000       52.88864 281.8699       35.78817 50.20370 11.06165 75.07550 4.896792 -24.87180      12.09705 
1 1 1 6   31 11 o 66.85055 3.704029 221.6603       24.14262 198.1000       47.29105 229.9650       28.07703 61.68885 8.021676 67.95629 4.242158 -6.267441      9.074315 
1 1 1 6   31 12 o 73.23594 3.488831 265.5927       24.93790 362.5000       52.62004 237.5222       28.32031 84.48858 6.410626 69.06235 4.209379 15.42623       7.669094 
1 1 1 6   31 13 o 58.69464 4.430715 172.2066       25.26735 0.000000       0.000000 172.2066       25.26735 ?        ?        58.69464 4.430715 ?              ?        
1 1 1 6   31 14 o 19.79059 7.441574 15.54369       19.56989 0.000000       0.000000 15.54369       19.56989 ?        ?        19.79059 7.441574 ?              ?        
1 1 1 6   31 15 o 40.02570 7.232306 84.09995       27.29233 100.4000       36.76468 64.09000       40.73420 43.13158 8.999668 34.35090 10.83820 8.780678       14.08760 
1 1 1 6   31 16 o 103.6148 4.593729 536.1282       46.47426 521.1000       61.79236 555.7000       70.51760 101.2882 6.263245 104.1711 6.955678 -2.882935      9.360005 
1 1 1 6   31 17 o 56.42659 3.447142 158.0614       18.94837 188.5000       36.52955 146.8566       22.16319 60.72229 6.234415 54.19168 4.211273 6.530617       7.523480 
1 1 1 6   31 18 o 66.02509 3.457386 216.3288       22.26626 236.0000       37.98238 206.0289       27.48420 68.16748 5.745891 64.15468 4.403422 4.012802       7.239157 
1 1 1 6   31 19 o 41.50609 3.859054 86.24704       15.49870 0.000000       0.000000 86.24704       15.49870 ?        ?        41.50609 3.859054 ?              ?        
1 1 1 6   31 20 o 43.94600 9.352092 106.0251       38.99216 0.000000       0.000000 106.0251       38.99216 ?        ?        43.94600 9.352092 ?              ?        
1 1 1 6   31 21 o 66.93449 6.795831 232.1408       43.90792 0.000000       0.000000 232.1408       43.90792 ?        ?        66.93449 6.795831 ?              ?        
1 1 1 6   31 22 f 68.26778 8.694116 250.9000       56.77990 0.000000       0.000000 250.9000       56.77990 ?        ?        68.26778 8.694116 ?              ?        
1 1 1 6   31 23 o 45.95763 13.52027 131.5000       64.87344 0.000000       0.000000 131.5000       64.87344 ?        ?        45.95763 13.52027 ?              ?        
1 1 1 6   31 24 o 40.50669 9.969778 93.95226       39.25796 0.000000       0.000000 93.95226       39.25796 ?        ?        40.50669 9.969778 ?              ?        
1 1 1 6   31 25 o 45.23309 9.494768 115.9691       40.69675 0.000000       0.000000 115.9691       40.69675 ?        ?        45.23309 9.494768 ?              ?        
1 1 1 6   31 26 o 54.24142 7.963893 160.1308       41.02432 0.000000       0.000000 160.1308       41.02432 ?        ?        54.24142 7.963893 ?              ?        
1 1 1 6   31 27 o 49.89128 8.397135 137.7122       39.55254 0.000000       0.000000 137.7122       39.55254 ?        ?        49.89128 8.397135 ?              ?        
1 1 1 6   31 28 o 32.11065 10.34652 60.39366       36.96691 0.000000       0.000000 60.39366       36.96691 ?        ?        32.11065 10.34652 ?              ?        
1 1 1 6   31 29 o 76.37356 6.206212 305.7078       45.99600 0.000000       0.000000 305.7078       45.99600 ?        ?        76.37356 6.206212 ?              ?        
1 1 1 6   31 30 o 34.22861 11.41483 72.04000       44.83015 0.000000       0.000000 72.04000       44.83015 ?        ?        34.22861 11.41483 ?              ?        
1 1 1 6   31 31 o 63.99754 6.387533 216.8028       39.47923 0.000000       0.000000 216.8028       39.47923 ?        ?        63.99754 6.387533 ?              ?        
1 1 1 6   31 32 o 51.54115 11.76042 167.8000       58.01683 0.000000       0.000000 167.8000       58.01683 ?        ?        51.54115 11.76042 ?              ?        
1 1 1 6   31 33 o 21.03338 8.820332 12.14206       30.60230 0.000000       0.000000 12.14206       30.60230 ?        ?        21.03338 8.820332 ?              ?        
1 1 1 6   31 34 o 24.15402 9.286408 28.52062       30.89742 0.000000       0.000000 28.52062       30.89742 ?        ?        24.15402 9.286408 ?              ?        
1 1 1 6   31 35 o 41.34505 8.467994 98.65580       33.11583 0.000000       0.000000 98.65580       33.11583 ?        ?        41.34505 8.467994 ?              ?        
1 1 1 6   31 36 o 26.08147 9.414611 38.43576       30.78885 0.000000       0.000000 38.43576       30.78885 ?        ?        26.08147 9.414611 ?              ?        
1 1 1 6   31 37 o 21.73011 8.934280 17.86542       30.53318 0.000000       0.000000 17.86542       30.53318 ?        ?        21.73011 8.934280 ?              ?        
1 1 1 6   31 38 o 41.90825 8.398048 102.3114       33.24840 0.000000       0.000000 102.3114       33.24840 ?        ?        41.90825 8.398048 ?              ?        
1 1 1 6   31 39 o 26.34910 10.19114 38.35000       37.37120 0.000000       0.000000 38.35000       37.37120 ?        ?        26.34910 10.19114 ?              ?        
1 1 1 6   31 40 o 22.66505 9.393682 20.22000       34.11958 0.000000       0.000000 20.22000       34.11958 ?        ?        22.66505 9.393682 ?              ?        
1 1 1 6   31 41 o 28.61352 10.07479 50.35000       35.04525 0.000000       0.000000 50.35000       35.04525 ?        ?        28.61352 10.07479 ?              ?        
1 1 1 6   31 42 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   31 43 o 50.11827 8.855268 149.6000       41.85310 0.000000       0.000000 149.6000       41.85310 ?        ?        50.11827 8.855268 ?              ?        
1 1 1 6   31 44 o 42.07132 9.488071 109.3000       38.13779 0.000000       0.000000 109.3000       38.13779 ?        ?        42.07132 9.488071 ?              ?        
1 1 1 6   31 45 o 25.17175 9.027261 37.13146       28.25412 0.000000       0.000000 37.13146       28.25412 ?        ?        25.17175 9.027261 ?              ?        
1 1 1 6   31 46 o 21.28973 8.489804 21.27822       26.62716 0.000000       0.000000 21.27822       26.62716 ?        ?        21.28973 8.489804 ?              ?        
1 1 1 6   31 47 o 12.18498 5.984290 -41.37965      24.63776 0.000000       0.000000 -41.37965      24.63776 ?        ?        12.18498 5.984290 ?              ?        
1 1 1 6   32 0  o 41.99542 5.010527 89.10935       20.19059 57.47000       47.42920 96.11208       22.31339 33.58982 11.72846 43.54462 5.347226 -9.954796      12.88991 
1 1 1 6   32 1  o 55.73016 6.742956 159.2292       36.03589 142.7000       51.40598 175.2000       50.53021 51.08873 10.62639 57.39416 9.313458 -6.305428      14.13013 
1 1 1 6   32 2  o 80.14637 4.142715 319.2643       32.38908 437.4000       63.68781 278.0514       37.61683 92.55756 7.083545 74.44895 5.194581 18.10861       8.784092 
1 1 1 6   32 3  o 95.52766 3.388191 451.0673       31.63115 514.1000       69.85400 434.8092       35.47672 100.3273 7.160281 93.64441 3.878793 6.682922       8.143381 
1 1 1 6   32 4  f 111.6061 3.401223 615.6000       37.11267 731.4000       82.63922 586.3446       41.53698 119.7699 7.080671 108.7495 3.908482 11.02039       8.087777 
1 1 1 6   32 5  o 40.69720 5.264974 84.09328       20.48231 102.2000       49.09119 80.27689       22.53772 42.76591 11.48546 39.53484 6.013283 3.231071       12.96439 
1 1 1 6   32 6  o 38.07592 5.552582 74.08841       20.08545 44.77000       47.18895 80.57518       22.19649 31.11664 11.58494 39.63615 5.900839 -8.519512      13.00119 
1 1 1 6   32 7  o 105.9593 3.392019 555.1320       35.13530 688.0000       78.81858 522.1813       39.25094 116.1300 6.965924 102.5890 3.915986 13.54100       7.991186 
1 1 1 6   32 8  o 47.10141 4.820767 111.7287       21.91255 20.04000       48.72929 134.9686       24.53291 27.33443 11.26759 51.79017 4.897624 -24.45574      12.28598 
1 1 1 6   32 9  o 125.1694 3.504828 775.2064       42.89865 807.1000       89.61047 765.7239       48.86142 125.4596 7.328986 124.1862 4.024951 1.273415       8.361475 
1 1 1 6   32 10 o 69.91418 3.731088 242.7263       25.44083 287.6000       55.79512 230.9479       28.58534 74.42357 7.773630 68.02578 4.315270 6.397789       8.891057 
1 1 1 6   32 11 o 87.88323 3.408857 382.3820       29.26825 416.5000       58.21576 370.8412       33.85847 90.31999 6.631141 86.35255 4.016775 3.967445       7.752839 
1 1 1 6   32 12 o 123.6475 3.420908 756.5450       41.36330 897.3000       86.52630 714.8508       47.09278 132.6613 6.684974 119.9400 4.016959 12.72128       7.799028 
1 1 1 6   32 13 o 26.00516 6.821819 35.72520       17.57732 80.86000       34.01037 19.27570       20.53204 38.51537 9.156389 21.01608 7.673353 17.49929       11.94654 
1 1 1 6   32 14 f 46.68630 5.506831 111.0492       24.68139 0.000000       0.000000 111.0492       24.68139 ?        ?        46.68630 5.506831 ?              ?        
1 1 1 6   32 15 o 38.16889 5.993748 75.34434       21.65603 0.000000       0.000000 75.34434       21.65603 ?        ?        38.16889 5.993748 ?              ?        
1 1 1 6   32 16 o 60.23492 4.668298 182.4312       27.30941 198.5000       39.01615 166.9968       38.23828 62.09032 6.516692 56.66241 7.046199 5.427910       9.597718 
1 1 1 6   32 17 o 78.40605 3.598754 305.4777       27.54535 352.5000       46.45389 279.9792       34.20800 83.29803 5.732410 74.65430 4.705236 8.643730       7.416183 
1 1 1 6   32 18 o 28.52059 5.744152 42.55690       15.48064 0.000000       0.000000 42.55690       15.48064 ?        ?        28.52059 5.744152 ?              ?        
1 1 1 6   32 19 o 31.70622 10.05330 55.41032       35.00902 0.000000       0.000000 55.41032       35.00902 ?        ?        31.70622 10.05330 ?              ?        
1 1 1 6   32 20 o 18.83356 8.510982 -11.89473      33.46319 0.000000       0.000000 -11.89473      33.46319 ?        ?        18.83356 8.510982 ?              ?        
1 1 1 6   32 21 o 87.40131 5.771106 391.3378       49.09597 0.000000       0.000000 391.3378       49.09597 ?        ?        87.40131 5.771106 ?              ?        
1 1 1 6   32 22 o 33.39868 10.27127 63.93997       36.83821 0.000000       0.000000 63.93997       36.83821 ?        ?        33.39868 10.27127 ?              ?        
1 1 1 6   32 23 o 32.73827 10.30370 61.84077       36.83723 0.000000       0.000000 61.84077       36.83723 ?        ?        32.73827 10.30370 ?              ?        
1 1 1 6   32 24 o 27.52302 11.12926 32.22000       46.43512 0.000000       0.000000 32.22000       46.43512 ?        ?        27.52302 11.12926 ?              ?        
1 1 1 6   32 25 o 45.78125 13.39438 137.5000       63.82135 0.000000       0.000000 137.5000       63.82135 ?        ?        45.78125 13.39438 ?              ?        
1 1 1 6   32 26 f 67.85624 6.620574 243.5034       43.41491 0.000000       0.000000 243.5034       43.41491 ?        ?        67.85624 6.620574 ?              ?        
1 1 1 6   32 27 o 31.15922 10.25295 56.77188       36.20218 0.000000       0.000000 56.77188       36.20218 ?        ?        31.15922 10.25295 ?              ?        
1 1 1 6   32 28 o 35.19556 11.39236 76.84000       44.78563 0.000000       0.000000 76.84000       44.78563 ?        ?        35.19556 11.39236 ?              ?        
1 1 1 6   32 29 o 35.03115 9.609856 72.60915       33.93855 0.000000       0.000000 72.60915       33.93855 ?        ?        35.03115 9.609856 ?              ?        
1 1 1 6   32 30 f 38.08967 12.80022 96.80000       56.35923 0.000000       0.000000 96.80000       56.35923 ?        ?        38.08967 12.80022 ?              ?        
1 1 1 6   32 31 o 27.98930 11.64216 35.52000       52.67514 0.000000       0.000000 35.52000       52.67514 ?        ?        27.98930 11.64216 ?              ?        
1 1 1 6   32 32 o 41.36565 8.365526 97.98233       32.70652 0.000000       0.000000 97.98233       32.70652 ?        ?        41.36565 8.365526 ?              ?        
1 1 1 6   32 33 o 21.07641 8.738315 14.32821       29.53921 0.000000       0.000000 14.32821       29.53921 ?        ?        21.07641 8.738315 ?              ?        
1 1 1 6   32 34 o 28.41433 9.467089 47.97379       30.83778 0.000000       0.000000 47.97379       30.83778 ?        ?        28.41433 9.467089 ?              ?        
1 1 1 6   32 35 o 38.47667 8.950723 88.27489       33.07283 0.000000       0.000000 88.27489       33.07283 ?        ?        38.47667 8.950723 ?              ?        
1 1 1 6   32 36 o 26.43393 9.467183 40.54142       31.06377 0.000000       0.000000 40.54142       31.06377 ?        ?        26.43393 9.467183 ?              ?        
1 1 1 6   32 37 o 56.19118 6.706094 172.5446       36.15732 0.000000       0.000000 172.5446       36.15732 ?        ?        56.19118 6.706094 ?              ?        
1 1 1 6   32 38 o 29.24104 10.21969 53.19000       36.01632 0.000000       0.000000 53.19000       36.01632 ?        ?        29.24104 10.21969 ?              ?        
1 1 1 6   32 39 o 49.30027 8.902764 144.3000       41.38098 0.000000       0.000000 144.3000       41.38098 ?        ?        49.30027 8.902764 ?              ?        
1 1 1 6   32 40 o 41.74628 9.842667 108.7000       39.55985 0.000000       0.000000 108.7000       39.55985 ?        ?        41.74628 9.842667 ?              ?        
1 1 1 6   32 41 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   32 42 o 20.76720 9.007731 9.678000       33.89003 0.000000       0.000000 9.678000       33.89003 ?        ?        20.76720 9.007731 ?              ?        
1 1 1 6   32 43 o 22.00396 9.188102 18.64000       32.99466 0.000000       0.000000 18.64000       32.99466 ?        ?        22.00396 9.188102 ?              ?        
1 1 1 6   32 44 o 20.58835 8.454272 16.92357       27.29633 0.000000       0.000000 16.92357       27.29633 ?        ?        20.58835 8.454272 ?              ?        
1 1 1 6   32 45 o 27.30987 8.953905 46.37547       27.61971 0.000000       0.000000 46.37547       27.61971 ?        ?        27.30987 8.953905 ?              ?        
1 1 1 6   32 46 o 23.63242 8.737451 32.39159       26.75644 0.000000       0.000000 32.39159       26.75644 ?        ?        23.63242 8.737451 ?              ?        
1 1 1 6   33 0  o 53.17154 6.101202 144.5129       31.17958 0.000000       0.000000 144.5129       31.17958 ?        ?        53.17154 6.101202 ?              ?        
1 1 1 6   33 1  o 50.46670 4.305562 127.5322       21.06577 150.9000       49.80846 122.4417       23.24730 52.57852 10.04420 49.28255 4.883327 3.295975       11.16838 
1 1 1 6   33 2  o 33.92038 6.141359 59.78233       19.64016 40.61000       45.19016 64.24707       21.80742 29.95605 11.29857 35.05502 6.597517 -5.098961      13.08376 
1 1 1 6   33 3  o 93.60778 4.011127 435.6747       36.66710 436.8000       65.76681 435.1672       44.16895 92.05210 7.360331 93.21399 4.857703 -1.161888      8.818830 
1 1 1 6   33 4  o 42.55281 5.036048 91.77656       20.57000 132.6000       47.95464 82.57153       22.77131 49.04581 10.31653 40.04543 5.993371 9.000385       11.93110 
1 1 1 6   33 5  f 62.32752 3.889190 193.3987       23.60889 241.7000       54.47260 182.2272       26.19724 67.76791 8.391089 60.32943 4.468002 7.438480       9.506494 
1 1 1 6   33 6  o 74.52888 3.606269 275.6343       26.22998 254.3000       58.15311 281.0833       29.38938 69.30252 8.768670 75.14236 4.010285 -5.839836      9.642197 
1 1 1 6   33 7  o 82.27165 3.512599 335.5526       28.22178 338.2000       62.17427 334.8656       31.67266 80.50561 7.995579 82.04726 3.955447 -1.541649      8.920474 
1 1 1 6   33 8  o 38.60359 5.672047 76.51934       20.79391 110.1000       48.03554 68.77554       23.06721 44.18677 11.11726 36.21839 6.755109 7.968380       13.00865 
1 1 1 6   33 9  o 25.15886 7.494829 33.19056       19.83390 63.05000       46.18813 26.43971       21.96184 34.20283 11.58777 23.29473 7.988439 10.90810       14.07450 
1 1 1 6   33 10 o 81.89523 3.510002 332.7022       28.07138 432.1000       60.89296 305.8779       31.63320 91.71333 6.832187 78.31112 4.141525 13.40221       7.989430 
1 1 1 6   33 11 o 31.93575 6.536071 53.71351       19.74263 97.31000       38.08753 37.69611       23.08623 42.05204 9.480405 26.70659 8.115399 15.34545       12.47949 
1 1 1 6   33 12 o 67.33395 3.697026 225.5950       24.27297 237.6000       45.97463 220.9554       28.58111 67.69723 7.040852 66.40197 4.422566 1.295258       8.314607 
1 1 1 6   33 13 o 44.84184 5.028172 102.1297       21.69019 96.20000       38.17217 104.9572       26.35897 41.69644 9.557569 45.07980 6.132518 -3.383362      11.35583 
1 1 1 6   33 14 o 26.64681 7.668406 37.89146       21.07594 0.000000       0.000000 37.89146       21.07594 ?        ?        26.64681 7.668406 ?              ?        
1 1 1 6   33 15 o 89.11526 3.867034 395.7912       33.65126 0.000000       0.000000 395.7912       33.65126 ?        ?        89.11526 3.867034 ?              ?        
1 1 1 6   33 16 o 53.47376 6.331378 148.2080       32.49726 152.2000       37.88932 137.1000       63.20357 53.66677 7.410384 47.41858 13.15576 6.248184       15.09926 
1 1 1 6   33 17 o 31.95487 7.487871 55.30154       23.00913 84.90000       30.93373 18.64446       34.42522 39.41893 8.280933 23.69684 9.582396 15.72209       12.66476 
1 1 1 6   33 18 o 11.73346 5.235151 -4.234256      12.22068 0.000000       0.000000 -4.234256      12.22068 ?        ?        11.73346 5.235151 ?              ?        
1 1 1 6   33 19 o 46.51965 3.508201 108.2678       15.85677 0.000000       0.000000 108.2678       15.85677 ?        ?        46.51965 3.508201 ?              ?        
1 1 1 6   33 20 o 77.39532 5.900666 309.3607       44.36451 0.000000       0.000000 309.3607       44.36451 ?        ?        77.39532 5.900666 ?              ?        
1 1 1 6   33 21 o 52.84802 7.470091 150.4943       37.56596 0.000000       0.000000 150.4943       37.56596 ?        ?        52.84802 7.470091 ?              ?        
1 1 1 6   33 22 o 33.26671 9.956178 64.57931       34.93776 0.000000       0.000000 64.57931       34.93776 ?        ?        33.26671 9.956178 ?              ?        
1 1 1 6   33 23 o 28.14017 10.10835 42.89898       35.44273 0.000000       0.000000 42.89898       35.44273 ?        ?        28.14017 10.10835 ?              ?        
1 1 1 6   33 24 o 24.48935 9.849842 24.29775       36.16000 0.000000       0.000000 24.29775       36.16000 ?        ?        24.48935 9.849842 ?              ?        
1 1 1 6   33 25 o 51.21489 8.032743 145.0121       38.94523 0.000000       0.000000 145.0121       38.94523 ?        ?        51.21489 8.032743 ?              ?        
1 1 1 6   33 26 o 32.61035 11.54368 64.50000       46.05753 0.000000       0.000000 64.50000       46.05753 ?        ?        32.61035 11.54368 ?              ?        
1 1 1 6   33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   33 28 o 43.26271 8.623111 106.9234       35.23383 0.000000       0.000000 106.9234       35.23383 ?        ?        43.26271 8.623111 ?              ?        
1 1 1 6   33 29 o 46.55798 12.88147 146.6000       60.68779 0.000000       0.000000 146.6000       60.68779 ?        ?        46.55798 12.88147 ?              ?        
1 1 1 6   33 30 o 20.24792 8.707721 7.158782       31.14092 0.000000       0.000000 7.158782       31.14092 ?        ?        20.24792 8.707721 ?              ?        
1 1 1 6   33 31 o 23.08654 9.159942 23.64601       30.84530 0.000000       0.000000 23.64601       30.84530 ?        ?        23.08654 9.159942 ?              ?        
1 1 1 6   33 32 o 18.83358 8.330317 0.1521314E-02  30.27354 0.000000       0.000000 0.1521314E-02  30.27354 ?        ?        18.83358 8.330317 ?              ?        
1 1 1 6   33 33 o 36.34630 9.108314 79.66005       32.33599 0.000000       0.000000 79.66005       32.33599 ?        ?        36.34630 9.108314 ?              ?        
1 1 1 6   33 34 o 21.02680 8.750121 15.10951       29.77507 0.000000       0.000000 15.10951       29.77507 ?        ?        21.02680 8.750121 ?              ?        
1 1 1 6   33 35 o 28.46662 9.445813 49.13988       30.70637 0.000000       0.000000 49.13988       30.70637 ?        ?        28.46662 9.445813 ?              ?        
1 1 1 6   33 36 o 44.51120 9.577394 121.0000       40.48940 0.000000       0.000000 121.0000       40.48940 ?        ?        44.51120 9.577394 ?              ?        
1 1 1 6   33 37 o 25.54021 9.842683 35.93000       34.76801 0.000000       0.000000 35.93000       34.76801 ?        ?        25.54021 9.842683 ?              ?        
1 1 1 6   33 38 o 16.96516 7.901306 -16.99000      31.96618 0.000000       0.000000 -16.99000      31.96618 ?        ?        16.96516 7.901306 ?              ?        
1 1 1 6   33 39 o 30.47906 10.63415 60.05000       38.98719 0.000000       0.000000 60.05000       38.98719 ?        ?        30.47906 10.63415 ?              ?        
1 1 1 6   33 40 o 27.24358 10.24686 44.62000       37.11127 0.000000       0.000000 44.62000       37.11127 ?        ?        27.24358 10.24686 ?              ?        
1 1 1 6   33 41 o 28.23323 10.19202 49.96000       36.08429 0.000000       0.000000 49.96000       36.08429 ?        ?        28.23323 10.19202 ?              ?        
1 1 1 6   33 42 o 17.88711 7.914116 0.9830950      27.34445 0.000000       0.000000 0.9830950      27.34445 ?        ?        17.88711 7.914116 ?              ?        
1 1 1 6   33 43 f 12.44607 6.114392 -43.74252      25.78357 0.000000       0.000000 -43.74252      25.78357 ?        ?        12.44607 6.114392 ?              ?        
1 1 1 6   33 44 o 36.94072 8.410288 83.14739       29.72620 0.000000       0.000000 83.14739       29.72620 ?        ?        36.94072 8.410288 ?              ?        
1 1 1 6   33 45 o 27.47409 8.989803 47.74060       27.84774 0.000000       0.000000 47.74060       27.84774 ?        ?        27.47409 8.989803 ?              ?        
1 1 1 6   34 0  o 33.84881 5.953321 59.54881       19.00484 103.1000       47.90391 51.41373       20.70389 42.51588 11.31334 31.11166 6.971732 11.40422       13.28897 
1 1 1 6   34 1  o 68.49206 4.064832 234.1066       27.12885 0.000000       0.000000 234.1066       27.12885 ?        ?        68.49206 4.064832 ?              ?        
1 1 1 6   34 2  o 38.56008 5.502084 76.30236       20.17862 33.18000       48.20613 85.46333       22.21886 28.92195 11.45885 40.77505 5.724439 -11.85310      12.80916 
1 1 1 6   34 3  o 60.39411 4.005301 182.1205       23.54373 187.4000       53.25303 180.8379       26.24834 58.68438 9.602571 60.02509 4.500244 -1.340717      10.60479 
1 1 1 6   34 4  o 20.98792 7.968351 17.62548       22.56362 -11.19000      45.39119 27.08270       26.00401 22.34225 10.02005 24.06233 8.656528 -1.720081      13.24148 
1 1 1 6   34 5  o 40.02611 5.362494 81.99013       20.48143 93.47000       47.95308 79.42860       22.65149 40.35853 11.55212 39.13718 6.112665 1.221348       13.06966 
1 1 1 6   34 6  o 66.89411 3.785914 222.8972       24.68814 228.3000       55.63232 221.5723       27.54946 65.22131 8.950068 66.54331 4.251874 -1.321999      9.908691 
1 1 1 6   34 7  o 52.24131 4.529089 137.3614       22.93102 95.77000       51.22320 147.7857       25.64419 40.63282 12.02968 54.07766 4.897729 -13.44484      12.98850 
1 1 1 6   34 8  f 108.2502 3.419946 581.1176       36.19170 709.4000       78.78184 546.8030       40.74568 117.3258 6.890368 104.7584 3.980866 12.56741       7.957668 
1 1 1 6   34 9  o 31.65970 6.767551 53.19794       20.33640 51.67000       43.90627 53.61527       22.94618 31.52046 11.25915 31.56831 7.531516 -0.4784775E-01 13.54593 
1 1 1 6   34 10 o 44.48260 5.025670 100.6592       21.49943 170.1000       46.30852 81.57922       24.27404 56.17930 8.702493 39.47566 6.508767 16.70364       10.86726 
1 1 1 6   34 11 o 28.85678 7.443511 44.89388       21.16266 45.08000       37.19879 44.80482       25.73275 29.47769 10.37967 28.75290 8.529867 0.7247925      13.43489 
1 1 1 6   34 12 o 45.89374 5.073592 107.3820       22.41153 129.2000       39.14040 96.73934       27.33649 48.79579 8.503704 42.89098 6.732852 5.904816       10.84639 
1 1 1 6   34 13 o 14.96294 6.471363 -0.5963082     17.38969 10.95000       30.89720 -5.949615      21.03820 21.50947 8.929058 15.43837 6.879783 6.071095       11.27207 
1 1 1 6   34 14 o 28.76151 7.254285 44.78727       20.41675 -3.691000      32.23893 77.24946       26.38129 19.51254 8.615091 37.89440 7.377848 -18.38185      11.34251 
1 1 1 6   34 15 o 25.33786 11.20493 1.852000       54.74476 0.000000       0.000000 1.852000       54.74476 ?        ?        25.33786 11.20493 ?              ?        
1 1 1 6   34 16 o 28.47075 7.889153 44.53025       22.74395 29.05000       30.57145 63.71841       34.03642 24.87591 9.311998 33.38974 9.785142 -8.513834      13.50786 
1 1 1 6   34 17 o 96.00592 3.901082 461.8679       36.58338 0.000000       0.000000 461.8679       36.58338 ?        ?        96.00592 3.901082 ?              ?        
1 1 1 6   34 18 o 31.37930 5.005392 51.14103       14.85787 0.000000       0.000000 51.14103       14.85787 ?        ?        31.37930 5.005392 ?              ?        
1 1 1 6   34 19 o 44.01035 3.515953 97.24649       15.02036 0.000000       0.000000 97.24649       15.02036 ?        ?        44.01035 3.515953 ?              ?        
1 1 1 6   34 20 o 81.18334 5.868255 342.1785       46.31707 0.000000       0.000000 342.1785       46.31707 ?        ?        81.18334 5.868255 ?              ?        
1 1 1 6   34 21 o 50.77276 7.671134 140.8063       36.93606 0.000000       0.000000 140.8063       36.93606 ?        ?        50.77276 7.671134 ?              ?        
1 1 1 6   34 22 o 30.15949 10.04795 52.74394       34.73814 0.000000       0.000000 52.74394       34.73814 ?        ?        30.15949 10.04795 ?              ?        
1 1 1 6   34 23 o 28.27695 10.02545 44.69395       34.75077 0.000000       0.000000 44.69395       34.75077 ?        ?        28.27695 10.02545 ?              ?        
1 1 1 6   34 24 o 37.87603 9.601255 84.90392       35.63750 0.000000       0.000000 84.90392       35.63750 ?        ?        37.87603 9.601255 ?              ?        
1 1 1 6   34 25 o 30.78587 10.76888 56.20000       39.99646 0.000000       0.000000 56.20000       39.99646 ?        ?        30.78587 10.76888 ?              ?        
1 1 1 6   34 26 o 20.58255 9.183536 -2.061000      37.60772 0.000000       0.000000 -2.061000      37.60772 ?        ?        20.58255 9.183536 ?              ?        
1 1 1 6   34 27 o 19.68141 8.558781 3.923485       30.75925 0.000000       0.000000 3.923485       30.75925 ?        ?        19.68141 8.558781 ?              ?        
1 1 1 6   34 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   34 30 o 28.83593 9.629692 49.79096       31.90295 0.000000       0.000000 49.79096       31.90295 ?        ?        28.83593 9.629692 ?              ?        
1 1 1 6   34 31 o 27.34041 9.522358 44.19408       31.25366 0.000000       0.000000 44.19408       31.25366 ?        ?        27.34041 9.522358 ?              ?        
1 1 1 6   34 32 o 38.15174 8.829481 86.85589       32.31944 0.000000       0.000000 86.85589       32.31944 ?        ?        38.15174 8.829481 ?              ?        
1 1 1 6   34 33 o 21.72204 8.761735 20.17428       28.70073 0.000000       0.000000 20.17428       28.70073 ?        ?        21.72204 8.761735 ?              ?        
1 1 1 6   34 34 o 44.63591 7.650685 113.2177       32.22423 0.000000       0.000000 113.2177       32.22423 ?        ?        44.63591 7.650685 ?              ?        
1 1 1 6   34 35 o 25.10834 9.782303 34.01000       34.62617 0.000000       0.000000 34.01000       34.62617 ?        ?        25.10834 9.782303 ?              ?        
1 1 1 6   34 36 o 42.57864 9.572467 112.0000       38.92307 0.000000       0.000000 112.0000       38.92307 ?        ?        42.57864 9.572467 ?              ?        
1 1 1 6   34 37 o 61.30442 8.064892 216.4000       47.22194 0.000000       0.000000 216.4000       47.22194 ?        ?        61.30442 8.064892 ?              ?        
1 1 1 6   34 38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   34 39 o 38.87708 10.27926 98.25000       39.70694 0.000000       0.000000 98.25000       39.70694 ?        ?        38.87708 10.27926 ?              ?        
1 1 1 6   34 40 o 29.52693 10.20946 56.10000       35.89621 0.000000       0.000000 56.10000       35.89621 ?        ?        29.52693 10.20946 ?              ?        
1 1 1 6   34 41 o 16.34769 7.487049 -8.881511      27.00348 0.000000       0.000000 -8.881511      27.00348 ?        ?        16.34769 7.487049 ?              ?        
1 1 1 6   34 42 o 25.11736 8.910989 37.89862       27.45802 0.000000       0.000000 37.89862       27.45802 ?        ?        25.11736 8.910989 ?              ?        
1 1 1 6   34 43 o 23.07929 8.753397 30.08875       27.21174 0.000000       0.000000 30.08875       27.21174 ?        ?        23.07929 8.753397 ?              ?        
1 1 1 6   34 44 o 19.67834 8.225480 14.75234       26.48382 0.000000       0.000000 14.75234       26.48382 ?        ?        19.67834 8.225480 ?              ?        
1 1 1 6   35 0  o 75.27725 3.605292 282.0347       26.48782 302.9000       60.83977 277.1548       29.42269 75.36962 8.388781 74.45879 4.052286 0.9108353      9.316258 
1 1 1 6   35 1  o 40.06174 5.278795 82.27799       20.19681 69.38000       50.65692 84.71577       22.02290 35.15118 12.12943 40.50862 5.712609 -5.357441      13.40735 
1 1 1 6   35 2  o 82.21895 3.939751 337.4447       31.61414 0.000000       0.000000 337.4447       31.61414 ?        ?        82.21895 3.939751 ?              ?        
1 1 1 6   35 3  o 59.60990 4.105146 178.0773       23.80637 196.9000       54.96768 173.7316       26.41199 59.71545 9.739418 58.68661 4.635477 1.028835       10.78628 
1 1 1 6   35 4  o 45.62833 5.032176 106.0568       22.10201 104.8000       50.20602 106.3589       24.61558 42.20789 11.73100 45.46594 5.652909 -3.258049      13.02197 
1 1 1 6   35 5  o 26.08251 8.257612 36.07999       23.62744 20.50000       43.58640 42.56340       28.11702 25.83860 10.65426 28.14659 9.019068 -2.307983      13.95911 
1 1 1 6   35 6  f 32.62727 6.570739 56.52737       20.25805 33.78000       41.97334 63.43536       23.13042 27.71284 10.77781 34.41394 7.102236 -6.701094      12.90748 
1 1 1 6   35 7  o 91.55599 3.456607 416.8860       30.92163 471.1000       65.69888 401.4594       35.04596 94.95807 7.120230 89.59919 4.006151 5.358879       8.169879 
1 1 1 6   35 8  o 20.69424 7.525015 19.50390       19.71708 -36.17000      43.47146 33.92356       22.12360 19.13324 9.007714 25.28940 7.988472 -6.156164      12.03971 
1 1 1 6   35 9  o 48.64307 4.763967 120.2346       22.39223 153.6000       47.41486 110.6569       25.40362 52.41640 9.594947 46.26930 5.731598 6.147095       11.17650 
1 1 1 6   35 10 o 100.0501 3.837480 500.2172       37.51147 633.3000       72.85047 452.2022       43.75822 110.2486 6.783617 94.60709 4.740407 15.64149       8.275803 
1 1 1 6   35 11 f 50.89609 4.448613 131.1451       21.93978 171.7000       41.76608 115.6895       25.78371 56.54039 7.750494 47.28259 5.684964 9.257801       9.611918 
1 1 1 6   35 12 o 24.19888 7.370800 31.34978       19.02903 19.00000       35.62239 36.28102       22.50981 23.77993 9.698886 25.90004 8.040023 -2.120111      12.59803 
1 1 1 6   35 13 o 36.76916 8.616884 75.84680       30.46824 60.77000       35.59163 117.2000       58.94511 32.48891 10.11380 42.97638 12.94807 -10.48747      16.42990 
1 1 1 6   35 14 o 46.07734 4.607590 108.2560       20.50263 86.05000       36.72882 118.3076       24.71103 38.51658 9.738153 47.85736 5.367552 -9.340775      11.11945 
1 1 1 6   35 15 o 63.07949 4.413720 201.6979       27.08009 0.000000       0.000000 201.6979       27.08009 ?        ?        63.07949 4.413720 ?              ?        
1 1 1 6   35 16 o 13.91693 6.309544 -8.224656      18.56958 0.000000       0.000000 -8.224656      18.56958 ?        ?        13.91693 6.309544 ?              ?        
1 1 1 6   35 17 o 31.22264 7.174170 53.56513       21.46436 0.000000       0.000000 53.56513       21.46436 ?        ?        31.22264 7.174170 ?              ?        
1 1 1 6   35 18 o 17.27108 6.236138 13.65446       13.51011 0.000000       0.000000 13.65446       13.51011 ?        ?        17.27108 6.236138 ?              ?        
1 1 1 6   35 19 o 53.75929 3.127810 144.3518       16.38779 0.000000       0.000000 144.3518       16.38779 ?        ?        53.75929 3.127810 ?              ?        
1 1 1 6   35 20 f 40.19335 9.371229 94.33391       36.18650 0.000000       0.000000 94.33391       36.18650 ?        ?        40.19335 9.371229 ?              ?        
1 1 1 6   35 21 o 32.23104 10.04961 62.05050       35.12614 0.000000       0.000000 62.05050       35.12614 ?        ?        32.23104 10.04961 ?              ?        
1 1 1 6   35 22 o 24.96898 9.606595 30.36822       33.08128 0.000000       0.000000 30.36822       33.08128 ?        ?        24.96898 9.606595 ?              ?        
1 1 1 6   35 23 o 37.57421 9.164867 82.87622       33.40141 0.000000       0.000000 82.87622       33.40141 ?        ?        37.57421 9.164867 ?              ?        
1 1 1 6   35 24 o 60.33981 8.099378 203.6000       46.62976 0.000000       0.000000 203.6000       46.62976 ?        ?        60.33981 8.099378 ?              ?        
1 1 1 6   35 25 o 56.68051 6.783106 173.7359       36.88659 0.000000       0.000000 173.7359       36.88659 ?        ?        56.68051 6.783106 ?              ?        
1 1 1 6   35 26 o 33.24374 12.79896 72.55000       58.74907 0.000000       0.000000 72.55000       58.74907 ?        ?        33.24374 12.79896 ?              ?        
1 1 1 6   35 27 o 36.15871 13.30905 92.40000       61.96184 0.000000       0.000000 92.40000       61.96184 ?        ?        36.15871 13.30905 ?              ?        
1 1 1 6   35 28 o 35.89265 9.443009 78.39131       33.61653 0.000000       0.000000 78.39131       33.61653 ?        ?        35.89265 9.443009 ?              ?        
1 1 1 6   35 29 o 34.14841 9.424788 71.62737       32.53195 0.000000       0.000000 71.62737       32.53195 ?        ?        34.14841 9.424788 ?              ?        
1 1 1 6   35 30 o 35.39858 10.58897 81.21000       39.52744 0.000000       0.000000 81.21000       39.52744 ?        ?        35.39858 10.58897 ?              ?        
1 1 1 6   35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   35 32 o 22.61511 8.972787 24.00954       29.59739 0.000000       0.000000 24.00954       29.59739 ?        ?        22.61511 8.972787 ?              ?        
1 1 1 6   35 33 o 28.23303 10.09637 49.16000       35.31607 0.000000       0.000000 49.16000       35.31607 ?        ?        28.23303 10.09637 ?              ?        
1 1 1 6   35 34 f 23.83197 9.658202 27.10000       35.05922 0.000000       0.000000 27.10000       35.05922 ?        ?        23.83197 9.658202 ?              ?        
1 1 1 6   35 35 o 22.83074 9.452430 22.03000       34.49754 0.000000       0.000000 22.03000       34.49754 ?        ?        22.83074 9.452430 ?              ?        
1 1 1 6   35 36 o 19.29878 8.659538 -0.9892000     33.94934 0.000000       0.000000 -0.9892000     33.94934 ?        ?        19.29878 8.659538 ?              ?        
1 1 1 6   35 37 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   35 38 o 21.48749 9.193996 14.61000       34.38976 0.000000       0.000000 14.61000       34.38976 ?        ?        21.48749 9.193996 ?              ?        
1 1 1 6   35 39 o 15.06608 7.106533 -20.68127      27.29206 0.000000       0.000000 -20.68127      27.29206 ?        ?        15.06608 7.106533 ?              ?        
1 1 1 6   35 40 o 17.34749 7.768642 -1.623320      27.17664 0.000000       0.000000 -1.623320      27.17664 ?        ?        17.34749 7.768642 ?              ?        
1 1 1 6   35 41 o 21.43440 8.624885 21.95078       27.73834 0.000000       0.000000 21.95078       27.73834 ?        ?        21.43440 8.624885 ?              ?        
1 1 1 6   35 42 o 29.24136 9.014747 54.99803       28.35539 0.000000       0.000000 54.99803       28.35539 ?        ?        29.24136 9.014747 ?              ?        
1 1 1 6   36 0  o 103.2586 3.434628 530.9422       34.66630 494.7000       73.10803 541.4548       39.37435 96.28690 7.824334 104.0353 3.873337 -7.748421      8.730576 
1 1 1 6   36 1  o 39.38789 5.315479 80.14641       19.97067 175.0000       50.79053 62.79985       21.72013 55.77408 9.652775 34.25779 6.717519 21.51629       11.76015 
1 1 1 6   36 2  o 33.83329 6.081344 60.43555       19.39928 73.55000       45.85486 57.57667       21.40959 35.30436 11.53481 32.69096 6.907416 2.613400       13.44486 
1 1 1 6   36 3  o 20.24466 7.666311 17.26525       20.85317 0.000000       0.000000 17.26525       20.85317 ?        ?        20.24466 7.666311 ?              ?        
1 1 1 6   36 4  o 48.93932 4.609478 121.7253       21.82080 167.1000       47.60230 109.6543       24.55233 54.72454 9.213650 46.04253 5.560351 8.682007       10.76145 
1 1 1 6   36 5  o 62.77470 4.052094 198.1860       24.76534 178.6000       50.85813 204.2738       28.35411 56.31306 9.568707 63.49537 4.593180 -7.182301      10.61402 
1 1 1 6   36 6  o 15.98035 7.190443 -7.985464      23.58903 -12.49000      43.36867 -6.092896      28.11103 21.20450 9.624955 17.79620 7.940096 3.408300       12.47738 
1 1 1 6   36 7  o 67.22029 3.906928 226.8926       25.59566 206.8000       52.53685 233.1460       29.30934 60.93670 9.085276 67.89803 4.434304 -6.961330      10.10966 
1 1 1 6   36 8  o 39.97082 5.642914 83.34482       21.46418 34.22000       45.63272 97.30133       24.32284 27.76103 11.09946 43.11240 5.919912 -15.35137      12.57949 
1 1 1 6   36 9  o 44.23900 5.680551 101.9968       24.03113 112.6000       47.18058 98.28236       27.92489 43.18153 11.10150 42.82114 6.896533 0.3603821      13.06926 
1 1 1 6   36 10 o 42.52938 5.332282 93.81790       21.71111 130.9000       44.40379 82.16743       24.88913 47.50182 9.872622 39.11829 6.743615 8.383537       11.95596 
1 1 1 6   36 11 o 55.65711 6.499044 163.8168       34.74031 177.6000       42.69207 136.8000       59.77066 57.04729 7.853693 46.04778 12.80030 10.99950       15.01760 
1 1 1 6   36 12 o 24.48997 7.983342 32.31930       21.97126 41.70000       33.59754 25.31002       29.04200 27.70110 9.854025 23.54746 9.015922 4.153646       13.35622 
1 1 1 6   36 13 f 41.31972 6.180406 90.49099       24.22988 0.000000       0.000000 90.49099       24.22988 ?        ?        41.31972 6.180406 ?              ?        
1 1 1 6   36 14 o 32.18189 5.979615 55.22932       18.14290 59.11000       30.38788 53.07978       22.61619 31.93810 9.213092 30.88762 7.546020 1.050470       11.90897 
1 1 1 6   36 15 f 35.34478 5.464204 65.61387       18.29505 48.24000       30.78835 75.09700       22.74647 29.02381 9.449655 37.39785 6.446583 -8.374041      11.43916 
1 1 1 6   36 16 o 67.44886 3.485817 228.1530       22.93557 0.000000       0.000000 228.1530       22.93557 ?        ?        67.44886 3.485817 ?              ?        
1 1 1 6   36 17 o 25.90823 7.623833 37.34898       20.62517 0.000000       0.000000 37.34898       20.62517 ?        ?        25.90823 7.623833 ?              ?        
1 1 1 6   36 18 o 16.82349 6.122247 12.85391       13.05470 0.000000       0.000000 12.85391       13.05470 ?        ?        16.82349 6.122247 ?              ?        
1 1 1 6   36 19 f 83.06750 3.042088 344.1105       24.69306 0.000000       0.000000 344.1105       24.69306 ?        ?        83.06750 3.042088 ?              ?        
1 1 1 6   36 20 f 42.47007 8.515052 103.0544       34.16444 0.000000       0.000000 103.0544       34.16444 ?        ?        42.47007 8.515052 ?              ?        
1 1 1 6   36 21 o 39.57494 8.936361 91.38702       33.79515 0.000000       0.000000 91.38702       33.79515 ?        ?        39.57494 8.936361 ?              ?        
1 1 1 6   36 22 o 19.40285 8.486032 2.620626       30.61108 0.000000       0.000000 2.620626       30.61108 ?        ?        19.40285 8.486032 ?              ?        
1 1 1 6   36 23 o 24.73616 9.842577 28.78000       35.71193 0.000000       0.000000 28.78000       35.71193 ?        ?        24.73616 9.842577 ?              ?        
1 1 1 6   36 24 o 23.66928 9.227813 26.99514       30.82845 0.000000       0.000000 26.99514       30.82845 ?        ?        23.66928 9.227813 ?              ?        
1 1 1 6   36 25 o 27.84231 12.00762 32.92000       59.53841 0.000000       0.000000 32.92000       59.53841 ?        ?        27.84231 12.00762 ?              ?        
1 1 1 6   36 26 o 22.10124 9.044695 19.33195       31.10781 0.000000       0.000000 19.33195       31.10781 ?        ?        22.10124 9.044695 ?              ?        
1 1 1 6   36 27 o 52.49604 7.343144 154.2168       36.70166 0.000000       0.000000 154.2168       36.70166 ?        ?        52.49604 7.343144 ?              ?        
1 1 1 6   36 28 o 43.65075 8.519563 111.9612       35.09412 0.000000       0.000000 111.9612       35.09412 ?        ?        43.65075 8.519563 ?              ?        
1 1 1 6   36 29 o 26.25412 9.597485 40.36274       32.13454 0.000000       0.000000 40.36274       32.13454 ?        ?        26.25412 9.597485 ?              ?        
1 1 1 6   36 30 o 62.63950 6.497922 213.9572       39.26280 0.000000       0.000000 213.9572       39.26280 ?        ?        62.63950 6.497922 ?              ?        
1 1 1 6   36 31 o 23.85872 9.682234 27.13000       35.28930 0.000000       0.000000 27.13000       35.28930 ?        ?        23.85872 9.682234 ?              ?        
1 1 1 6   36 32 o 24.47391 9.708694 31.15000       34.64598 0.000000       0.000000 31.15000       34.64598 ?        ?        24.47391 9.708694 ?              ?        
1 1 1 6   36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   36 34 o 36.14317 10.68745 87.07000       40.45034 0.000000       0.000000 87.07000       40.45034 ?        ?        36.14317 10.68745 ?              ?        
1 1 1 6   36 35 o 24.35806 9.939340 29.39000       37.43186 0.000000       0.000000 29.39000       37.43186 ?        ?        24.35806 9.939340 ?              ?        
1 1 1 6   36 36 o 26.85202 10.59605 43.10000       41.06824 0.000000       0.000000 43.10000       41.06824 ?        ?        26.85202 10.59605 ?              ?        
1 1 1 6   36 37 o 17.72725 7.922788 -1.227556      28.11421 0.000000       0.000000 -1.227556      28.11421 ?        ?        17.72725 7.922788 ?              ?        
1 1 1 6   36 38 o 17.36297 7.802275 -2.440473      27.67172 0.000000       0.000000 -2.440473      27.67172 ?        ?        17.36297 7.802275 ?              ?        
1 1 1 6   36 39 o 21.29716 8.592207 21.23549       27.60738 0.000000       0.000000 21.23549       27.60738 ?        ?        21.29716 8.592207 ?              ?        
1 1 1 6   36 40 o 20.56333 8.428648 18.57981       27.06827 0.000000       0.000000 18.57981       27.06827 ?        ?        20.56333 8.428648 ?              ?        
1 1 1 6   36 41 o 22.08910 8.673159 26.15026       27.39480 0.000000       0.000000 26.15026       27.39480 ?        ?        22.08910 8.673159 ?              ?        
1 1 1 6   37 0  o 28.97009 6.839469 45.84284       19.08143 12.83000       41.95184 54.45405       21.42603 23.76379 10.16099 31.51027 7.115627 -7.746479      12.40475 
1 1 1 6   37 1  o 58.71066 4.013997 173.9759       22.92871 102.3000       47.81334 195.3814       26.12910 40.61860 11.50535 62.08306 4.326849 -21.46447      12.29205 
1 1 1 6   37 2  o 43.89492 4.924233 99.18656       20.79290 82.97000       45.13354 103.5557       23.42710 36.71159 11.38280 44.60824 5.480374 -7.896652      12.63339 
1 1 1 6   37 3  o 18.95022 7.236994 14.88951       18.68038 -5.701000      41.89222 19.99988       20.87018 21.38536 9.605682 20.81537 7.712933 0.5699883      12.31903 
1 1 1 6   37 4  o 38.33814 6.496706 78.71353       23.51015 0.000000       0.000000 78.71353       23.51015 ?        ?        38.33814 6.496706 ?              ?        
1 1 1 6   37 5  o 25.90897 7.543237 37.02432       20.28492 -29.94000      41.10002 58.58933       23.32357 18.70331 8.790713 32.52702 7.481660 -13.82371      11.54348 
1 1 1 6   37 6  o 73.23760 3.823978 269.7065       27.31799 153.1000       51.12551 316.3026       32.31847 50.66759 10.64749 79.12008 4.188008 -28.45249      11.44152 
1 1 1 6   37 7  o 34.41310 8.501966 67.40681       28.46926 67.61000       44.88041 67.27000       36.82684 33.40913 11.42080 33.60425 10.25751 -0.1951218     15.35093 
1 1 1 6   37 8  o 64.20197 4.363569 209.2927       27.25887 187.2000       48.97079 219.2112       32.81208 57.51707 8.992575 65.23753 5.180947 -7.720463      10.37828 
1 1 1 6   37 9  o 39.75026 6.714260 85.19823       25.19475 106.3000       42.93200 74.11324       31.11640 41.98160 10.48064 35.84430 8.907748 6.137302       13.75470 
1 1 1 6   37 10 o 33.54840 7.683553 62.90089       24.68738 51.03000       38.57316 71.13716       32.12984 29.79439 10.56254 34.88111 9.257759 -5.086718      14.04540 
1 1 1 6   37 11 o 32.38401 6.205917 56.41831       18.95593 28.79000       30.80015 73.26412       24.05036 24.40141 9.299017 36.62948 6.962300 -12.22807      11.61660 
1 1 1 6   37 12 o 14.57834 6.365561 -1.058357      17.16305 -2.407000      27.98599 -0.2453549     21.72892 18.06770 7.999609 16.43085 7.168649 1.636852       10.74166 
1 1 1 6   37 13 f 44.36455 4.567622 101.0115       19.55189 94.79000       32.91545 104.4035       24.30429 40.76872 8.523092 44.55439 5.703596 -3.785671      10.25544 
1 1 1 6   37 14 o 16.82945 6.792908 8.734785       17.26437 20.62000       28.33662 1.718647       21.77176 22.21531 8.790595 16.78303 7.249711 5.432272       11.39442 
1 1 1 6   37 15 o 42.08661 4.634821 91.22754       18.77766 0.000000       0.000000 91.22754       18.77766 ?        ?        42.08661 4.634821 ?              ?        
1 1 1 6   37 16 o 34.62482 6.953455 65.96256       22.74719 0.000000       0.000000 65.96256       22.74719 ?        ?        34.62482 6.953455 ?              ?        
1 1 1 6   37 17 o 58.65968 4.416602 175.8238       25.17287 0.000000       0.000000 175.8238       25.17287 ?        ?        58.65968 4.416602 ?              ?        
1 1 1 6   37 18 o 44.51861 3.769319 100.4562       16.27097 0.000000       0.000000 100.4562       16.27097 ?        ?        44.51861 3.769319 ?              ?        
1 1 1 6   37 19 o 23.58874 4.913934 29.55221       10.97711 0.000000       0.000000 29.55221       10.97711 ?        ?        23.58874 4.913934 ?              ?        
1 1 1 6   37 20 o 41.82630 8.708211 101.8204       34.49160 0.000000       0.000000 101.8204       34.49160 ?        ?        41.82630 8.708211 ?              ?        
1 1 1 6   37 21 o 42.80070 9.532134 110.3000       38.90958 0.000000       0.000000 110.3000       38.90958 ?        ?        42.80070 9.532134 ?              ?        
1 1 1 6   37 22 o 29.92378 9.433336 53.96211       30.86471 0.000000       0.000000 53.96211       30.86471 ?        ?        29.92378 9.433336 ?              ?        
1 1 1 6   37 23 o 23.89021 9.316957 28.34504       31.43511 0.000000       0.000000 28.34504       31.43511 ?        ?        23.89021 9.316957 ?              ?        
1 1 1 6   37 24 f 25.58413 11.38137 17.48000       57.32257 0.000000       0.000000 17.48000       57.32257 ?        ?        25.58413 11.38137 ?              ?        
1 1 1 6   37 25 o 36.65931 9.261515 82.41351       33.23938 0.000000       0.000000 82.41351       33.23938 ?        ?        36.65931 9.261515 ?              ?        
1 1 1 6   37 26 o 25.06823 9.407449 35.10908       31.24219 0.000000       0.000000 35.10908       31.24219 ?        ?        25.06823 9.407449 ?              ?        
1 1 1 6   37 27 o 22.62146 9.132323 23.37488       31.20936 0.000000       0.000000 23.37488       31.20936 ?        ?        22.62146 9.132323 ?              ?        
1 1 1 6   37 28 o 28.92429 9.635201 51.88999       31.94301 0.000000       0.000000 51.88999       31.94301 ?        ?        28.92429 9.635201 ?              ?        
1 1 1 6   37 29 o 47.67913 9.307195 138.6000       41.87691 0.000000       0.000000 138.6000       41.87691 ?        ?        47.67913 9.307195 ?              ?        
1 1 1 6   37 30 o 17.84123 8.211415 -11.04000      33.03323 0.000000       0.000000 -11.04000      33.03323 ?        ?        17.84123 8.211415 ?              ?        
1 1 1 6   37 31 o 44.06873 9.660253 121.4000       40.51830 0.000000       0.000000 121.4000       40.51830 ?        ?        44.06873 9.660253 ?              ?        
1 1 1 6   37 32 o 20.83314 9.099575 9.030000       35.09631 0.000000       0.000000 9.030000       35.09631 ?        ?        20.83314 9.099575 ?              ?        
1 1 1 6   37 33 o 13.69732 6.770142 -60.46000      33.27240 0.000000       0.000000 -60.46000      33.27240 ?        ?        13.69732 6.770142 ?              ?        
1 1 1 6   37 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   37 35 o 24.92590 10.20142 32.73000       39.57711 0.000000       0.000000 32.73000       39.57711 ?        ?        24.92590 10.20142 ?              ?        
1 1 1 6   37 36 o 23.07290 9.095394 27.88403       30.23158 0.000000       0.000000 27.88403       30.23158 ?        ?        23.07290 9.095394 ?              ?        
1 1 1 6   37 37 o 28.71521 9.206969 52.56598       29.29749 0.000000       0.000000 52.56598       29.29749 ?        ?        28.71521 9.206969 ?              ?        
1 1 1 6   37 38 o 21.92170 8.700828 24.70898       27.84001 0.000000       0.000000 24.70898       27.84001 ?        ?        21.92170 8.700828 ?              ?        
1 1 1 6   37 39 o 17.39111 7.712570 2.070594       26.11788 0.000000       0.000000 2.070594       26.11788 ?        ?        17.39111 7.712570 ?              ?        
1 1 1 6   38 0  o 60.47733 3.967829 184.9641       23.35858 134.9000       48.46835 200.1097       26.65874 47.01948 10.76395 62.70190 4.370998 -15.68242      11.61758 
1 1 1 6   38 1  o 39.21741 5.398535 80.57048       20.17415 110.5000       44.62476 72.88213       22.61739 42.42790 10.73779 36.72796 6.530614 5.699944       12.56778 
1 1 1 6   38 2  o 97.15133 3.449010 472.7676       32.74612 459.3000       66.01939 477.1622       37.71213 92.07706 7.387032 97.24152 3.970429 -5.164459      8.386450 
1 1 1 6   38 3  o 36.10928 5.896155 69.37236       20.12132 47.41000       42.60460 75.67736       22.82756 29.13361 10.97447 37.46503 6.457961 -8.331419      12.73359 
1 1 1 6   38 4  o 32.09866 6.777142 56.45020       20.62384 21.48000       41.98581 67.57148       23.67723 24.73004 10.34829 35.00096 7.152870 -10.27092      12.57977 
1 1 1 6   38 5  o 35.88231 7.258430 71.15381       24.61673 0.000000       0.000000 71.15381       24.61673 ?        ?        35.88231 7.258430 ?              ?        
1 1 1 6   38 6  o 30.79245 7.591203 53.26556       22.73264 41.49000       40.96656 58.50479       27.32576 27.90668 10.70227 31.83482 8.577495 -3.928141      13.71539 
1 1 1 6   38 7  f 44.67299 6.100578 106.0829       25.97987 125.1000       44.22946 96.06512       32.10146 45.63732 10.16216 41.18552 8.250755 4.451797       13.08986 
1 1 1 6   38 8  o 23.72633 8.283285 29.88201       23.65701 -23.32000      38.08437 63.30804       30.18736 18.35782 8.574574 32.83247 9.085472 -14.47465      12.49276 
1 1 1 6   38 9  o 24.28408 8.345689 31.90365       23.97370 1.061000       37.29063 53.63117       31.29889 20.88951 9.242305 30.15702 9.498464 -9.267511      13.25296 
1 1 1 6   38 10 o 16.81616 6.987644 6.532008       18.94850 -9.502000      35.93159 12.70876       22.30157 19.24223 8.744739 19.16664 7.726121 0.7559395E-01  11.66891 
1 1 1 6   38 11 o 44.66534 4.692857 102.8555       20.21092 102.1000       35.35082 103.2223       24.63407 41.95529 8.885043 44.15171 5.843427 -2.196426      10.63436 
1 1 1 6   38 12 o 36.57801 5.556786 70.77157       19.27027 47.21000       33.50515 82.41803       23.55627 28.51787 9.863428 39.09444 6.375313 -10.57656      11.74444 
1 1 1 6   38 13 f 24.28765 7.189292 32.73026       18.29623 -7.371000      30.76969 54.66410       22.75628 18.06931 8.163852 31.11094 7.550208 -13.04163      11.11999 
1 1 1 6   38 14 o 53.50930 5.078625 148.7080       26.28155 0.000000       0.000000 148.7080       26.28155 ?        ?        53.50930 5.078625 ?              ?        
1 1 1 6   38 15 o 11.78731 5.539309 -14.75705      16.30881 0.000000       0.000000 -14.75705      16.30881 ?        ?        11.78731 5.539309 ?              ?        
1 1 1 6   38 16 o 83.48331 4.067852 353.9982       33.14070 0.000000       0.000000 353.9982       33.14070 ?        ?        83.48331 4.067852 ?              ?        
1 1 1 6   38 17 o 44.96754 5.202679 105.9665       22.47790 0.000000       0.000000 105.9665       22.47790 ?        ?        44.96754 5.202679 ?              ?        
1 1 1 6   38 18 o 53.07455 3.479356 142.1861       17.97587 0.000000       0.000000 142.1861       17.97587 ?        ?        53.07455 3.479356 ?              ?        
1 1 1 6   38 19 o 40.16588 3.574351 81.81955       13.90610 0.000000       0.000000 81.81955       13.90610 ?        ?        40.16588 3.574351 ?              ?        
1 1 1 6   38 20 o 22.57953 9.449762 18.40000       35.01880 0.000000       0.000000 18.40000       35.01880 ?        ?        22.57953 9.449762 ?              ?        
1 1 1 6   38 21 o 47.02237 7.624284 125.2031       33.89141 0.000000       0.000000 125.2031       33.89141 ?        ?        47.02237 7.624284 ?              ?        
1 1 1 6   38 22 o 50.18274 12.85819 179.7000       63.43962 0.000000       0.000000 179.7000       63.43962 ?        ?        50.18274 12.85819 ?              ?        
1 1 1 6   38 23 o 21.37490 8.916888 16.45800       31.03167 0.000000       0.000000 16.45800       31.03167 ?        ?        21.37490 8.916888 ?              ?        
1 1 1 6   38 24 o 22.98654 9.199857 25.27076       31.38227 0.000000       0.000000 25.27076       31.38227 ?        ?        22.98654 9.199857 ?              ?        
1 1 1 6   38 25 o 18.26429 8.250369 -4.295683      31.40771 0.000000       0.000000 -4.295683      31.40771 ?        ?        18.26429 8.250369 ?              ?        
1 1 1 6   38 26 o 44.14233 10.49519 125.8000       44.67948 0.000000       0.000000 125.8000       44.67948 ?        ?        44.14233 10.49519 ?              ?        
1 1 1 6   38 27 o 27.64608 10.12938 47.32000       35.82614 0.000000       0.000000 47.32000       35.82614 ?        ?        27.64608 10.12938 ?              ?        
1 1 1 6   38 28 o 35.19959 10.48335 82.05000       38.80852 0.000000       0.000000 82.05000       38.80852 ?        ?        35.19959 10.48335 ?              ?        
1 1 1 6   38 29 o 46.29291 9.462663 132.8000       41.42902 0.000000       0.000000 132.8000       41.42902 ?        ?        46.29291 9.462663 ?              ?        
1 1 1 6   38 30 o 18.75932 8.522614 -4.887000      34.09642 0.000000       0.000000 -4.887000      34.09642 ?        ?        18.75932 8.522614 ?              ?        
1 1 1 6   38 31 o 20.00924 8.920445 2.907000       35.40834 0.000000       0.000000 2.907000       35.40834 ?        ?        20.00924 8.920445 ?              ?        
1 1 1 6   38 32 o 17.37804 7.914669 -6.500316      29.63414 0.000000       0.000000 -6.500316      29.63414 ?        ?        17.37804 7.914669 ?              ?        
1 1 1 6   38 33 o 24.77905 11.07197 20.24000       54.87365 0.000000       0.000000 20.24000       54.87365 ?        ?        24.77905 11.07197 ?              ?        
1 1 1 6   38 34 o 25.93526 9.196486 41.06145       29.24242 0.000000       0.000000 41.06145       29.24242 ?        ?        25.93526 9.196486 ?              ?        
1 1 1 6   38 35 o 40.36485 8.153162 97.74023       31.10294 0.000000       0.000000 97.74023       31.10294 ?        ?        40.36485 8.153162 ?              ?        
1 1 1 6   38 36 o 16.50819 7.551659 -7.077471      27.36439 0.000000       0.000000 -7.077471      27.36439 ?        ?        16.50819 7.551659 ?              ?        
1 1 1 6   38 37 f 17.28564 8.016169 -10.64000      32.36136 0.000000       0.000000 -10.64000      32.36136 ?        ?        17.28564 8.016169 ?              ?        
1 1 1 6   38 38 o 26.13415 11.18954 42.91000       50.99946 0.000000       0.000000 42.91000       50.99946 ?        ?        26.13415 11.18954 ?              ?        
1 1 1 6   39 0  o 13.44654 6.112907 -7.878342      17.57646 80.99000       39.34799 -30.03081      19.64536 36.10572 10.50413 11.48645 5.575379 24.61927       11.89208 
1 1 1 6   39 1  o 55.78075 4.151018 158.3648       22.50198 133.6000       46.77784 165.8206       25.66671 46.69107 10.49172 56.80793 4.656722 -10.11686      11.47873 
1 1 1 6   39 2  o 45.36517 4.901266 106.6508       21.41879 128.0000       45.11687 100.4391       24.33604 45.83168 10.30762 43.50354 5.864251 2.328144       11.85902 
1 1 1 6   39 3  o 24.17656 7.537298 32.38906       19.75957 30.85000       42.62936 32.81021       22.29982 26.06047 10.61714 24.38443 8.048046 1.676046       13.32272 
1 1 1 6   39 4  o 43.79812 5.682907 101.3493       23.78922 68.17000       43.78588 115.2450       28.33624 32.91119 11.27983 46.29178 6.426734 -13.38059      12.98220 
1 1 1 6   39 5  f 25.28673 8.692019 35.42373       26.00511 17.70000       39.72903 48.71000       34.39790 23.60017 9.981702 28.81571 9.992559 -5.215536      14.12394 
1 1 1 6   39 6  o 37.56215 6.995579 77.76699       24.77438 0.000000       0.000000 77.76699       24.77438 ?        ?        37.56215 6.995579 ?              ?        
1 1 1 6   39 7  o 50.55844 5.632794 134.6380       27.40273 160.0000       45.36567 120.0683       34.38437 52.35768 9.186872 46.22180 7.882411 6.135880       12.10500 
1 1 1 6   39 8  o 60.19831 6.431971 194.3227       37.31303 180.5000       47.53977 216.5000       60.21654 55.79436 9.011866 59.32047 10.76705 -3.526108      14.04077 
1 1 1 6   39 9  o 42.61743 5.402373 95.61088       22.03042 86.54000       45.02507 98.46606       25.26078 36.46365 11.37920 42.79464 6.211795 -6.330994      12.96428 
1 1 1 6   39 10 o 31.95872 6.738219 56.52034       20.41351 46.17000       39.21355 60.36792       23.90853 28.24292 10.55165 32.56773 7.633719 -4.324818      13.02347 
1 1 1 6   39 11 o 51.11623 4.380523 134.0933       21.70639 181.7000       39.41795 113.3742       26.00436 57.49660 7.158602 46.12040 5.894901 11.37620       9.273374 
1 1 1 6   39 12 o 22.77388 7.261623 28.55580       18.24415 -2.712000      30.85903 45.35745       22.62088 18.60637 8.309165 28.06963 7.900925 -9.463253      11.46590 
1 1 1 6   39 13 o 25.12187 8.139089 35.84233       22.85618 0.000000       0.000000 35.84233       22.85618 ?        ?        25.12187 8.139089 ?              ?        
1 1 1 6   39 14 o 38.16402 5.325472 77.06502       19.35282 0.000000       0.000000 77.06502       19.35282 ?        ?        38.16402 5.325472 ?              ?        
1 1 1 6   39 15 o 12.85029 5.874998 -8.316497      16.53104 0.000000       0.000000 -8.316497      16.53104 ?        ?        12.85029 5.874998 ?              ?        
1 1 1 6   39 16 o 31.81507 7.350941 57.56632       22.43186 0.000000       0.000000 57.56632       22.43186 ?        ?        31.81507 7.350941 ?              ?        
1 1 1 6   39 17 o 24.46297 7.394749 34.00265       19.20301 0.000000       0.000000 34.00265       19.20301 ?        ?        24.46297 7.394749 ?              ?        
1 1 1 6   39 18 o 15.17920 5.979704 8.382077       13.05933 0.000000       0.000000 8.382077       13.05933 ?        ?        15.17920 5.979704 ?              ?        
1 1 1 6   39 19 o 24.54032 4.813496 32.13449       11.14910 0.000000       0.000000 32.13449       11.14910 ?        ?        24.54032 4.813496 ?              ?        
1 1 1 6   39 20 o 28.77944 9.659113 51.46483       32.09333 0.000000       0.000000 51.46483       32.09333 ?        ?        28.77944 9.659113 ?              ?        
1 1 1 6   39 21 o 25.99975 11.39616 27.28000       55.47416 0.000000       0.000000 27.28000       55.47416 ?        ?        25.99975 11.39616 ?              ?        
1 1 1 6   39 22 o 51.83902 7.449206 152.6166       36.71416 0.000000       0.000000 152.6166       36.71416 ?        ?        51.83902 7.449206 ?              ?        
1 1 1 6   39 23 o 17.57148 7.995881 -7.027774      30.16352 0.000000       0.000000 -7.027774      30.16352 ?        ?        17.57148 7.995881 ?              ?        
1 1 1 6   39 24 o 20.75085 8.757310 14.14438       30.47045 0.000000       0.000000 14.14438       30.47045 ?        ?        20.75085 8.757310 ?              ?        
1 1 1 6   39 25 o 31.40488 9.544374 62.76224       31.93069 0.000000       0.000000 62.76224       31.93069 ?        ?        31.40488 9.544374 ?              ?        
1 1 1 6   39 26 o 19.58335 8.789407 0.1953000      34.99917 0.000000       0.000000 0.1953000      34.99917 ?        ?        19.58335 8.789407 ?              ?        
1 1 1 6   39 27 o 24.28351 9.756313 30.85000       35.43497 0.000000       0.000000 30.85000       35.43497 ?        ?        24.28351 9.756313 ?              ?        
1 1 1 6   39 28 o 24.96320 9.944642 34.22000       36.49847 0.000000       0.000000 34.22000       36.49847 ?        ?        24.96320 9.944642 ?              ?        
1 1 1 6   39 29 o 26.09945 10.07262 40.44000       36.44891 0.000000       0.000000 40.44000       36.44891 ?        ?        26.09945 10.07262 ?              ?        
1 1 1 6   39 30 o 20.15350 8.948275 5.147000       35.26189 0.000000       0.000000 5.147000       35.26189 ?        ?        20.15350 8.948275 ?              ?        
1 1 1 6   39 31 o 42.67942 12.90170 141.0000       58.45362 0.000000       0.000000 141.0000       58.45362 ?        ?        42.67942 12.90170 ?              ?        
1 1 1 6   39 32 o 31.94738 9.188894 64.91327       30.27003 0.000000       0.000000 64.91327       30.27003 ?        ?        31.94738 9.188894 ?              ?        
1 1 1 6   39 33 o 18.23529 8.017294 4.209885       27.64610 0.000000       0.000000 4.209885       27.64610 ?        ?        18.23529 8.017294 ?              ?        
1 1 1 6   39 34 o 16.95125 7.657619 -3.050705      27.06079 0.000000       0.000000 -3.050705      27.06079 ?        ?        16.95125 7.657619 ?              ?        
1 1 1 6   39 35 o 57.73843 6.222952 185.7493       34.61486 0.000000       0.000000 185.7493       34.61486 ?        ?        57.73843 6.222952 ?              ?        
1 1 1 6   39 36 o 17.04009 7.635318 -0.2208277     26.29232 0.000000       0.000000 -0.2208277     26.29232 ?        ?        17.04009 7.635318 ?              ?        
1 1 1 6   40 0  o 41.70728 5.195875 91.37271       20.75305 104.4000       45.73069 87.99400       23.28930 40.01859 11.22301 40.43378 6.071845 -0.4151993     12.76023 
1 1 1 6   40 1  o 15.72385 6.781180 1.837336       18.98820 -42.27000      42.33210 12.94699       21.24539 17.61343 8.457867 18.81197 7.555680 -1.198536      11.34124 
1 1 1 6   40 2  o 28.50924 7.211568 45.95776       20.13542 27.16000       42.52344 51.39062       22.86072 25.18448 10.46664 29.90897 7.747339 -4.724491      13.02198 
1 1 1 6   40 3  o 24.50506 8.528676 33.31708       25.06882 49.11000       41.86675 24.49000       31.30017 28.81100 10.87330 23.18067 9.217537 5.630331       14.25453 
1 1 1 6   40 4  o 67.27753 5.056950 235.3485       33.05785 0.000000       0.000000 235.3485       33.05785 ?        ?        67.27753 5.056950 ?              ?        
1 1 1 6   40 5  o 31.65114 6.681482 55.55079       20.04895 32.25000       40.86814 62.93579       23.00779 25.74511 10.42981 33.42351 7.242231 -7.678394      12.69767 
1 1 1 6   40 6  o 78.80710 4.269184 317.4431       32.80891 320.1000       54.31390 315.9167       41.16871 76.02898 7.391551 77.58829 5.455594 -1.559311      9.186867 
1 1 1 6   40 7  o 19.81626 7.855119 16.08731       22.66363 0.000000       0.000000 16.08731       22.66363 ?        ?        19.81626 7.855119 ?              ?        
1 1 1 6   40 8  o 21.67894 7.528323 25.08133       19.52749 11.73000       37.68127 29.98349       22.83270 22.04601 9.530378 23.37335 8.139134 -1.327341      12.53290 
1 1 1 6   40 9  o 40.26730 6.464643 88.61992       24.61817 115.1000       39.23924 71.43133       31.61412 43.59824 9.466730 34.28083 9.221460 9.317410       13.21568 
1 1 1 6   40 10 o 14.28621 6.409585 -4.856582      18.59337 -5.718000      33.04411 -4.457488      22.49183 18.68567 8.449553 15.77068 7.064584 2.914998       11.01378 
1 1 1 6   40 11 o 30.77302 6.429126 52.35630       18.74021 44.27000       31.79321 56.66166       23.19874 27.32901 9.598119 31.37804 7.628355 -4.049036      12.26033 
1 1 1 6   40 12 o 28.18695 8.055702 46.57855       23.33599 0.000000       0.000000 46.57855       23.33599 ?        ?        28.18695 8.055702 ?              ?        
1 1 1 6   40 13 o 34.07631 6.044240 63.32576       19.42227 0.000000       0.000000 63.32576       19.42227 ?        ?        34.07631 6.044240 ?              ?        
1 1 1 6   40 14 o 21.74496 7.265113 25.99895       18.15862 0.000000       0.000000 25.99895       18.15862 ?        ?        21.74496 7.265113 ?              ?        
1 1 1 6   40 15 o 24.82977 7.321369 35.42231       19.00490 0.000000       0.000000 35.42231       19.00490 ?        ?        24.82977 7.321369 ?              ?        
1 1 1 6   40 16 o 20.63624 7.856826 20.80147       21.97442 0.000000       0.000000 20.80147       21.97442 ?        ?        20.63624 7.856826 ?              ?        
1 1 1 6   40 17 o 38.06833 6.267864 79.71279       22.54340 0.000000       0.000000 79.71279       22.54340 ?        ?        38.06833 6.267864 ?              ?        
1 1 1 6   40 18 o 14.57593 5.818734 7.204708       12.52130 0.000000       0.000000 7.204708       12.52130 ?        ?        14.57593 5.818734 ?              ?        
1 1 1 6   40 19 o 32.80232 12.44651 78.81000       55.03153 0.000000       0.000000 78.81000       55.03153 ?        ?        32.80232 12.44651 ?              ?        
1 1 1 6   40 20 o 26.67678 9.578348 43.10061       31.81948 0.000000       0.000000 43.10061       31.81948 ?        ?        26.67678 9.578348 ?              ?        
1 1 1 6   40 21 o 48.87993 7.566044 136.7993       35.03125 0.000000       0.000000 136.7993       35.03125 ?        ?        48.87993 7.566044 ?              ?        
1 1 1 6   40 22 o 38.66016 8.857996 91.48114       32.79974 0.000000       0.000000 91.48114       32.79974 ?        ?        38.66016 8.857996 ?              ?        
1 1 1 6   40 23 o 21.05510 8.766423 16.97076       29.90837 0.000000       0.000000 16.97076       29.90837 ?        ?        21.05510 8.766423 ?              ?        
1 1 1 6   40 24 o 31.17271 9.449229 62.00376       31.32512 0.000000       0.000000 62.00376       31.32512 ?        ?        31.17271 9.449229 ?              ?        
1 1 1 6   40 25 o 26.92945 9.504559 44.92599       31.20449 0.000000       0.000000 44.92599       31.20449 ?        ?        26.92945 9.504559 ?              ?        
1 1 1 6   40 26 o 33.95189 9.280702 72.93028       31.71828 0.000000       0.000000 72.93028       31.71828 ?        ?        33.95189 9.280702 ?              ?        
1 1 1 6   40 27 o 25.16714 9.470243 37.28546       31.70710 0.000000       0.000000 37.28546       31.70710 ?        ?        25.16714 9.470243 ?              ?        
1 1 1 6   40 28 o 44.55138 9.996858 128.5000       42.52029 0.000000       0.000000 128.5000       42.52029 ?        ?        44.55138 9.996858 ?              ?        
1 1 1 6   40 29 o 17.21015 7.787531 -4.137815      28.12463 0.000000       0.000000 -4.137815      28.12463 ?        ?        17.21015 7.787531 ?              ?        
1 1 1 6   40 30 o 25.06546 10.97642 28.22000       51.35641 0.000000       0.000000 28.22000       51.35641 ?        ?        25.06546 10.97642 ?              ?        
1 1 1 6   40 31 o 19.34638 8.297234 10.66617       28.12890 0.000000       0.000000 10.66617       28.12890 ?        ?        19.34638 8.297234 ?              ?        
1 1 1 6   40 32 o 30.60416 9.131099 60.82170       29.42180 0.000000       0.000000 60.82170       29.42180 ?        ?        30.60416 9.131099 ?              ?        
1 1 1 6   40 33 o 20.39838 8.426353 18.38417       27.33024 0.000000       0.000000 18.38417       27.33024 ?        ?        20.39838 8.426353 ?              ?        
1 1 1 6   40 34 o 19.96156 8.350737 16.34105       27.33029 0.000000       0.000000 16.34105       27.33029 ?        ?        19.96156 8.350737 ?              ?        
1 1 1 6   41 0  o 28.12310 7.859732 46.11337       22.46998 -10.14000      41.46508 69.50031       26.73591 20.06453 9.221984 34.48209 8.065716 -14.41756      12.25156 
1 1 1 6   41 1  o 46.27154 4.891293 111.9332       21.81864 57.67000       43.76027 129.8859       25.17046 30.05679 11.16269 49.63593 5.260695 -19.57914      12.34020 
1 1 1 6   41 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   41 3  o 18.42682 7.385546 12.88118       20.25499 -4.135000      38.77658 19.26621       23.75310 20.10985 9.117393 20.65609 8.086331 -0.5462360     12.18670 
1 1 1 6   41 4  o 42.55841 5.003748 95.20301       20.44649 92.24000       42.06173 96.11981       23.39685 37.37667 10.85638 42.28084 5.806577 -4.904171      12.31168 
1 1 1 6   41 5  o 25.26202 8.317765 37.02996       23.82454 25.74000       38.53318 44.01677       30.31293 24.09811 9.984763 27.09928 9.381351 -3.001165      13.70056 
1 1 1 6   41 6  o 41.03226 5.363475 89.52698       21.02643 68.55000       42.28933 96.41571       24.23423 32.10195 11.08224 42.17142 6.043413 -10.06947      12.62295 
1 1 1 6   41 7  o 18.83871 7.744386 12.03481       22.93753 0.000000       0.000000 12.03481       22.93753 ?        ?        18.83871 7.744386 ?              ?        
1 1 1 6   41 8  o 39.34866 6.683000 86.05405       24.82019 0.000000       0.000000 86.05405       24.82019 ?        ?        39.34866 6.683000 ?              ?        
1 1 1 6   41 9  o 38.54201 6.520317 82.30593       23.72222 63.94000       36.31671 95.97408       31.32961 31.37849 10.26610 40.38590 8.205559 -9.007412      13.14245 
1 1 1 6   41 10 o 34.29632 6.928175 66.53815       22.45644 45.91000       32.95716 84.41567       30.68126 27.35005 9.756399 37.49279 8.550382 -10.14274      12.97291 
1 1 1 6   41 11 o 23.93837 7.436346 32.90785       19.25264 0.000000       0.000000 32.90785       19.25264 ?        ?        23.93837 7.436346 ?              ?        
1 1 1 6   41 12 o 52.33244 4.347766 141.6524       22.07023 0.000000       0.000000 141.6524       22.07023 ?        ?        52.33244 4.347766 ?              ?        
1 1 1 6   41 13 o 25.94578 7.250489 38.98475       19.12253 0.000000       0.000000 38.98475       19.12253 ?        ?        25.94578 7.250489 ?              ?        
1 1 1 6   41 14 o 18.16660 7.156264 13.85843       18.70330 0.000000       0.000000 13.85843       18.70330 ?        ?        18.16660 7.156264 ?              ?        
1 1 1 6   41 15 o 51.32194 4.542189 137.1330       22.58250 0.000000       0.000000 137.1330       22.58250 ?        ?        51.32194 4.542189 ?              ?        
1 1 1 6   41 16 o 33.17241 7.992801 65.27400       25.64422 0.000000       0.000000 65.27400       25.64422 ?        ?        33.17241 7.992801 ?              ?        
1 1 1 6   41 17 o 63.28930 4.663732 208.6885       28.68857 0.000000       0.000000 208.6885       28.68857 ?        ?        63.28930 4.663732 ?              ?        
1 1 1 6   41 18 o 30.22461 5.412111 49.50296       15.42355 0.000000       0.000000 49.50296       15.42355 ?        ?        30.22461 5.412111 ?              ?        
1 1 1 6   41 19 o 17.77807 7.970877 -1.671492      28.70198 0.000000       0.000000 -1.671492      28.70198 ?        ?        17.77807 7.970877 ?              ?        
1 1 1 6   41 20 o 35.33945 9.066847 77.91249       31.51523 0.000000       0.000000 77.91249       31.51523 ?        ?        35.33945 9.066847 ?              ?        
1 1 1 6   41 21 o 37.18617 9.010555 85.98054       32.44928 0.000000       0.000000 85.98054       32.44928 ?        ?        37.18617 9.010555 ?              ?        
1 1 1 6   41 22 o 50.56073 7.208198 145.4239       34.66459 0.000000       0.000000 145.4239       34.66459 ?        ?        50.56073 7.208198 ?              ?        
1 1 1 6   41 23 o 18.46462 8.203473 1.709692       29.68227 0.000000       0.000000 1.709692       29.68227 ?        ?        18.46462 8.203473 ?              ?        
1 1 1 6   41 24 f 21.02147 8.750724 17.51416       29.79301 0.000000       0.000000 17.51416       29.79301 ?        ?        21.02147 8.750724 ?              ?        
1 1 1 6   41 25 o 24.24978 9.272366 33.83271       30.69034 0.000000       0.000000 33.83271       30.69034 ?        ?        24.24978 9.272366 ?              ?        
1 1 1 6   41 26 o 23.93185 9.243912 32.46904       30.71700 0.000000       0.000000 32.46904       30.71700 ?        ?        23.93185 9.243912 ?              ?        
1 1 1 6   41 27 o 25.90514 10.09313 40.84000       36.86274 0.000000       0.000000 40.84000       36.86274 ?        ?        25.90514 10.09313 ?              ?        
1 1 1 6   41 28 o 25.08232 9.324832 38.40443       30.55166 0.000000       0.000000 38.40443       30.55166 ?        ?        25.08232 9.324832 ?              ?        
1 1 1 6   41 29 o 13.30741 6.498532 -39.85855      27.83050 0.000000       0.000000 -39.85855      27.83050 ?        ?        13.30741 6.498532 ?              ?        
1 1 1 6   41 30 o 16.88963 7.652717 -3.325683      27.26815 0.000000       0.000000 -3.325683      27.26815 ?        ?        16.88963 7.652717 ?              ?        
1 1 1 6   41 31 o 15.51147 7.238383 -13.19202      27.03762 0.000000       0.000000 -13.19202      27.03762 ?        ?        15.51147 7.238383 ?              ?        
1 1 1 6   41 32 o 25.34189 9.074526 41.31969       28.53914 0.000000       0.000000 41.31969       28.53914 ?        ?        25.34189 9.074526 ?              ?        
1 1 1 6   42 0  o 64.49736 3.876256 212.6268       24.35858 135.3000       47.95923 239.5090       28.27740 45.00932 10.98415 68.16974 4.259091 -23.16042      11.78097 
1 1 1 6   42 1  o 58.67019 4.505196 178.6799       25.67448 176.7000       47.23553 179.5101       30.58735 53.75220 9.315089 58.05850 5.445897 -4.306297      10.79021 
1 1 1 6   42 2  o 26.61032 9.005758 42.93747       27.89744 26.04000       39.03960 60.57000       39.87970 23.93463 9.994351 30.23192 10.73773 -6.297297      14.66921 
1 1 1 6   42 3  o 18.37778 7.236171 14.26861       19.11566 -11.53000      37.57909 23.27435       22.20280 18.82335 8.697321 21.22806 7.937945 -2.404707      11.77516 
1 1 1 6   42 4  o 28.84905 8.225060 50.06200       24.35630 69.14000       40.40944 39.17645       30.52401 31.96070 10.83858 25.68529 9.359394 6.275412       14.32037 
1 1 1 6   42 5  o 30.33946 6.639511 52.03857       19.16852 38.91000       35.95901 57.25007       22.65585 25.83490 9.995522 31.32222 7.490798 -5.487326      12.49090 
1 1 1 6   42 6  o 33.16454 6.094339 60.72786       19.05485 5.478000       34.62051 84.73827       22.82274 20.16572 8.914461 39.27147 6.138018 -19.10575      10.82326 
1 1 1 6   42 7  o 27.73004 6.972169 44.24293       18.90209 65.99000       32.86452 33.49291       23.10637 32.02366 9.672561 24.01310 8.195054 8.010555       12.67743 
1 1 1 6   42 8  o 15.34145 6.876531 -3.526534      21.34593 0.000000       0.000000 -3.526534      21.34593 ?        ?        15.34145 6.876531 ?              ?        
1 1 1 6   42 9  o 19.00979 7.081537 17.79725       17.63713 3.237000       28.08673 27.27667       22.66249 18.36222 8.076739 22.27388 8.072104 -3.911663      11.41896 
1 1 1 6   42 10 o 22.64121 7.955530 28.81668       21.84419 0.000000       0.000000 28.81668       21.84419 ?        ?        22.64121 7.955530 ?              ?        
1 1 1 6   42 11 o 30.88978 6.681712 54.02347       19.61423 0.000000       0.000000 54.02347       19.61423 ?        ?        30.88978 6.681712 ?              ?        
1 1 1 6   42 12 f 71.46869 3.704719 260.2128       25.82809 0.000000       0.000000 260.2128       25.82809 ?        ?        71.46869 3.704719 ?              ?        
1 1 1 6   42 13 o 25.06440 7.237140 36.46886       18.74265 0.000000       0.000000 36.46886       18.74265 ?        ?        25.06440 7.237140 ?              ?        
1 1 1 6   42 14 o 37.60886 5.773681 77.09395       20.57631 0.000000       0.000000 77.09395       20.57631 ?        ?        37.60886 5.773681 ?              ?        
1 1 1 6   42 15 o 33.57601 5.837164 61.85749       18.48788 0.000000       0.000000 61.85749       18.48788 ?        ?        33.57601 5.837164 ?              ?        
1 1 1 6   42 16 o 29.83607 9.217271 56.36647       29.62540 0.000000       0.000000 56.36647       29.62540 ?        ?        29.83607 9.217271 ?              ?        
1 1 1 6   42 17 o 26.24502 7.092629 40.05714       18.65012 0.000000       0.000000 40.05714       18.65012 ?        ?        26.24502 7.092629 ?              ?        
1 1 1 6   42 18 o 74.16737 4.255654 284.3811       30.76510 0.000000       0.000000 284.3811       30.76510 ?        ?        74.16737 4.255654 ?              ?        
1 1 1 6   42 19 o 25.23661 9.210239 38.23925       29.57552 0.000000       0.000000 38.23925       29.57552 ?        ?        25.23661 9.210239 ?              ?        
1 1 1 6   42 20 o 30.98091 9.383740 61.69333       30.90082 0.000000       0.000000 61.69333       30.90082 ?        ?        30.98091 9.383740 ?              ?        
1 1 1 6   42 21 o 27.48429 9.424382 47.87567       30.56669 0.000000       0.000000 47.87567       30.56669 ?        ?        27.48429 9.424382 ?              ?        
1 1 1 6   42 22 o 27.95972 9.522677 50.33851       31.19678 0.000000       0.000000 50.33851       31.19678 ?        ?        27.95972 9.522677 ?              ?        
1 1 1 6   42 23 o 13.00112 6.370347 -42.72391      27.42026 0.000000       0.000000 -42.72391      27.42026 ?        ?        13.00112 6.370347 ?              ?        
1 1 1 6   42 24 o 20.18658 8.555116 14.02189       29.28231 0.000000       0.000000 14.02189       29.28231 ?        ?        20.18658 8.555116 ?              ?        
1 1 1 6   42 25 o 27.15502 10.20262 48.14000       36.77016 0.000000       0.000000 48.14000       36.77016 ?        ?        27.15502 10.20262 ?              ?        
1 1 1 6   42 26 o 37.26315 8.716325 86.99573       31.22283 0.000000       0.000000 86.99573       31.22283 ?        ?        37.26315 8.716325 ?              ?        
1 1 1 6   42 27 o 17.69095 8.622771 -48.76000      48.33913 0.000000       0.000000 -48.76000      48.33913 ?        ?        17.69095 8.622771 ?              ?        
1 1 1 6   42 28 o 21.97643 8.759606 25.95578       28.33352 0.000000       0.000000 25.95578       28.33352 ?        ?        21.97643 8.759606 ?              ?        
1 1 1 6   42 29 o 32.28313 9.094296 69.03907       29.95773 0.000000       0.000000 69.03907       29.95773 ?        ?        32.28313 9.094296 ?              ?        
1 1 1 6   42 30 f 20.29478 8.428336 18.67909       27.54531 0.000000       0.000000 18.67909       27.54531 ?        ?        20.29478 8.428336 ?              ?        
1 1 1 6   43 0  o 33.36692 7.685955 65.51894       24.58520 43.65000       40.52022 78.26000       30.92864 26.80326 10.54095 35.54859 8.907610 -8.745333      13.80062 
1 1 1 6   43 1  o 39.33159 5.358447 83.01186       20.09347 49.85000       40.76267 93.65624       23.09423 27.92361 10.68391 41.47689 5.850739 -13.55328      12.18101 
1 1 1 6   43 2  o 49.82040 5.716671 134.0291       27.37323 193.6000       45.96305 101.2881       34.07515 57.03781 8.491140 40.72226 8.805493 16.31555       12.23259 
1 1 1 6   43 3  o 21.39680 8.142816 23.56952       23.59680 18.03000       36.54609 27.53000       30.90146 22.23850 9.495617 23.12168 9.170074 -0.8831711     13.20064 
1 1 1 6   43 4  o 37.13820 5.656103 74.85756       19.91265 60.30000       36.49548 81.02843       23.76118 30.17979 10.29926 38.00613 6.628047 -7.826340      12.24768 
1 1 1 6   43 5  o 42.58545 7.088886 103.1089       28.51087 44.85000       36.49131 194.4000       45.67964 26.88564 10.15027 57.22451 8.405534 -30.33888      13.17881 
1 1 1 6   43 6  o 46.54771 4.656782 113.6244       20.93276 112.1000       38.33930 114.2718       24.98559 42.10075 9.526714 45.96568 5.673569 -3.864922      11.08818 
1 1 1 6   43 7  o 14.13319 6.311854 -3.010983      17.80891 34.74000       30.68526 -22.18536      21.86886 24.51517 9.295920 12.98559 6.193083 11.52958       11.16998 
1 1 1 6   43 8  o 47.80460 4.528166 119.4776       20.93582 133.8000       36.86746 112.6608       25.43470 47.41933 8.241943 45.47382 5.849584 1.945507       10.10679 
1 1 1 6   43 9  o 21.41239 8.031411 24.31778       22.76482 0.000000       0.000000 24.31778       22.76482 ?        ?        21.41239 8.031411 ?              ?        
1 1 1 6   43 10 o 24.82767 7.568599 36.29953       20.05852 0.000000       0.000000 36.29953       20.05852 ?        ?        24.82767 7.568599 ?              ?        
1 1 1 6   43 11 o 26.91457 8.006283 43.61956       22.64607 0.000000       0.000000 43.61956       22.64607 ?        ?        26.91457 8.006283 ?              ?        
1 1 1 6   43 12 o 20.88814 7.644083 23.38080       20.39313 0.000000       0.000000 23.38080       20.39313 ?        ?        20.88814 7.644083 ?              ?        
1 1 1 6   43 13 o 34.08155 6.501746 65.47387       20.89859 0.000000       0.000000 65.47387       20.89859 ?        ?        34.08155 6.501746 ?              ?        
1 1 1 6   43 14 o 19.65856 7.179517 20.12859       17.97598 0.000000       0.000000 20.12859       17.97598 ?        ?        19.65856 7.179517 ?              ?        
1 1 1 6   43 15 o 30.63122 7.159828 54.63212       21.07982 0.000000       0.000000 54.63212       21.07982 ?        ?        30.63122 7.159828 ?              ?        
1 1 1 6   43 16 o 24.40989 8.012887 35.42595       22.11652 0.000000       0.000000 35.42595       22.11652 ?        ?        24.40989 8.012887 ?              ?        
1 1 1 6   43 17 o 28.57958 6.757164 46.96909       18.60315 0.000000       0.000000 46.96909       18.60315 ?        ?        28.57958 6.757164 ?              ?        
1 1 1 6   43 18 o 21.12728 8.592540 20.37799       27.86420 0.000000       0.000000 20.37799       27.86420 ?        ?        21.12728 8.592540 ?              ?        
1 1 1 6   43 19 o 20.31698 8.539388 15.47973       28.78562 0.000000       0.000000 15.47973       28.78562 ?        ?        20.31698 8.539388 ?              ?        
1 1 1 6   43 20 o 15.20087 7.142877 -17.43591      27.10808 0.000000       0.000000 -17.43591      27.10808 ?        ?        15.20087 7.142877 ?              ?        
1 1 1 6   43 21 o 20.09604 8.394729 15.52075       27.55873 0.000000       0.000000 15.52075       27.55873 ?        ?        20.09604 8.394729 ?              ?        
1 1 1 6   43 22 o 36.12309 8.897615 82.52840       31.25054 0.000000       0.000000 82.52840       31.25054 ?        ?        36.12309 8.897615 ?              ?        
1 1 1 6   43 23 o 29.25045 10.41795 59.66000       37.56385 0.000000       0.000000 59.66000       37.56385 ?        ?        29.25045 10.41795 ?              ?        
1 1 1 6   43 24 o 31.58667 10.33858 70.38000       36.82958 0.000000       0.000000 70.38000       36.82958 ?        ?        31.58667 10.33858 ?              ?        
1 1 1 6   43 25 o 23.30035 9.021051 32.09435       29.30432 0.000000       0.000000 32.09435       29.30432 ?        ?        23.30035 9.021051 ?              ?        
1 1 1 6   43 26 o 27.56357 9.234652 50.82796       29.33593 0.000000       0.000000 50.82796       29.33593 ?        ?        27.56357 9.234652 ?              ?        
1 1 1 6   43 27 o 18.70917 8.126881 9.568822       27.66869 0.000000       0.000000 9.568822       27.66869 ?        ?        18.70917 8.126881 ?              ?        
1 1 1 6   44 0  o 60.32963 3.986414 187.4614       23.40875 183.7000       48.21636 188.6214       26.77612 54.09593 9.449636 60.03565 4.591343 -5.939720      10.50600 
1 1 1 6   44 1  o 15.36712 7.242457 -19.45916      28.23858 -16.06000      35.85709 -25.01000      45.82141 17.74099 8.297440 19.08673 9.063446 -1.345741      12.28794 
1 1 1 6   44 2  o 17.31494 7.018723 11.14062       18.52003 23.66000       36.43378 6.778657       21.50570 22.88461 9.612118 17.14539 7.301383 5.739225       12.07075 
1 1 1 6   44 3  f 14.14829 6.339302 -3.379711      18.12213 -53.77000      34.57872 15.70158       21.27842 14.36110 7.060304 19.01515 7.587166 -4.654045      10.36402 
1 1 1 6   44 4  o 26.91603 7.251356 42.63391       19.53080 27.63000       35.45741 49.16899       23.40079 23.41213 9.627027 28.43559 8.047101 -5.023466      12.54733 
1 1 1 6   44 5  o 26.13582 7.282991 40.24302       19.32370 36.47000       34.97454 41.90087       23.18358 24.95929 9.799928 26.25256 8.161084 -1.293276      12.75311 
1 1 1 6   44 6  o 35.31351 5.917223 68.80555       19.73046 45.32000       33.79040 80.95533       24.30397 26.71662 9.829281 37.68904 6.839864 -10.97243      11.97491 
1 1 1 6   44 7  o 38.51196 7.612046 87.17098       27.67721 0.000000       0.000000 87.17098       27.67721 ?        ?        38.51196 7.612046 ?              ?        
1 1 1 6   44 8  f 17.75706 7.858237 2.060259       26.97350 0.000000       0.000000 2.060259       26.97350 ?        ?        17.75706 7.858237 ?              ?        
1 1 1 6   44 9  o 22.82590 8.267601 29.78526       23.76923 0.000000       0.000000 29.78526       23.76923 ?        ?        22.82590 8.267601 ?              ?        
1 1 1 6   44 10 o 39.22561 5.637937 83.83186       21.02576 0.000000       0.000000 83.83186       21.02576 ?        ?        39.22561 5.637937 ?              ?        
1 1 1 6   44 11 f 53.39518 5.864373 155.5864       30.14610 0.000000       0.000000 155.5864       30.14610 ?        ?        53.39518 5.864373 ?              ?        
1 1 1 6   44 12 o 23.12249 7.453744 31.19810       19.18411 0.000000       0.000000 31.19810       19.18411 ?        ?        23.12249 7.453744 ?              ?        
1 1 1 6   44 13 o 21.80970 7.971204 26.45704       22.16527 0.000000       0.000000 26.45704       22.16527 ?        ?        21.80970 7.971204 ?              ?        
1 1 1 6   44 14 o 17.23323 6.939922 11.57292       17.97448 0.000000       0.000000 11.57292       17.97448 ?        ?        17.23323 6.939922 ?              ?        
1 1 1 6   44 15 o 23.46459 7.084150 32.20730       17.63151 0.000000       0.000000 32.20730       17.63151 ?        ?        23.46459 7.084150 ?              ?        
1 1 1 6   44 16 o 21.10961 7.956366 23.95778       22.40039 0.000000       0.000000 23.95778       22.40039 ?        ?        21.10961 7.956366 ?              ?        
1 1 1 6   44 17 o 34.68526 5.712342 66.20792       18.71936 0.000000       0.000000 66.20792       18.71936 ?        ?        34.68526 5.712342 ?              ?        
1 1 1 6   44 18 o 24.74757 9.094230 37.46478       28.91179 0.000000       0.000000 37.46478       28.91179 ?        ?        24.74757 9.094230 ?              ?        
1 1 1 6   44 19 o 30.81935 9.182795 62.19863       29.77164 0.000000       0.000000 62.19863       29.77164 ?        ?        30.81935 9.182795 ?              ?        
1 1 1 6   44 20 o 24.99367 9.012605 39.22789       28.20672 0.000000       0.000000 39.22789       28.20672 ?        ?        24.99367 9.012605 ?              ?        
1 1 1 6   44 21 o 17.33629 7.739332 1.240927       26.74755 0.000000       0.000000 1.240927       26.74755 ?        ?        17.33629 7.739332 ?              ?        
1 1 1 6   44 22 o 27.15923 9.877905 50.53000       33.97727 0.000000       0.000000 50.53000       33.97727 ?        ?        27.15923 9.877905 ?              ?        
1 1 1 6   44 23 o 20.56075 8.531385 19.70401       28.18850 0.000000       0.000000 19.70401       28.18850 ?        ?        20.56075 8.531385 ?              ?        
1 1 1 6   44 24 o 27.93814 11.57104 61.01000       51.71957 0.000000       0.000000 61.01000       51.71957 ?        ?        27.93814 11.57104 ?              ?        
1 1 1 6   44 25 f 25.90014 9.121910 45.09064       28.73099 0.000000       0.000000 45.09064       28.73099 ?        ?        25.90014 9.121910 ?              ?        
1 1 1 6   45 0  o 34.88871 9.410688 79.06035       32.87041 0.000000       0.000000 79.06035       32.87041 ?        ?        34.88871 9.410688 ?              ?        
1 1 1 6   45 1  o 29.44514 6.775836 50.06464       19.12329 37.91000       37.00045 54.49483       22.33814 25.21195 10.02291 30.20746 7.570652 -4.995510      12.56079 
1 1 1 6   45 2  o 32.96892 6.944443 62.84359       21.70145 51.59000       37.72948 68.40745       26.52914 27.81611 10.35837 33.46454 8.171075 -5.648432      13.19327 
1 1 1 6   45 3  o 15.89439 6.717618 5.874421       17.97241 -3.409000      33.47155 9.635206       21.30399 18.49561 8.418944 17.61788 7.371726 0.8777313      11.19022 
1 1 1 6   45 4  o 20.86496 7.361516 24.18727       18.71793 11.41000       33.17522 30.15428       22.67113 20.40950 8.881823 22.79850 8.096196 -2.388996      12.01812 
1 1 1 6   45 5  o 35.63309 5.891097 70.21368       19.82999 64.64000       33.34165 73.26436       24.66693 31.07722 9.805558 35.31524 7.374259 -4.238016      12.26901 
1 1 1 6   45 6  o 29.92507 7.156323 52.64379       20.67857 0.000000       0.000000 52.64379       20.67857 ?        ?        29.92507 7.156323 ?              ?        
1 1 1 6   45 7  o 31.02583 7.127109 56.46990       21.18822 0.000000       0.000000 56.46990       21.18822 ?        ?        31.02583 7.127109 ?              ?        
1 1 1 6   45 8  o 43.99733 5.296398 104.4664       22.35116 0.000000       0.000000 104.4664       22.35116 ?        ?        43.99733 5.296398 ?              ?        
1 1 1 6   45 9  o 52.27226 5.044187 145.8726       25.48865 0.000000       0.000000 145.8726       25.48865 ?        ?        52.27226 5.044187 ?              ?        
1 1 1 6   45 10 o 34.54699 8.290934 73.65150       27.67854 0.000000       0.000000 73.65150       27.67854 ?        ?        34.54699 8.290934 ?              ?        
1 1 1 6   45 11 o 13.99680 6.810685 -38.54000      29.80587 0.000000       0.000000 -38.54000      29.80587 ?        ?        13.99680 6.810685 ?              ?        
1 1 1 6   45 12 o 32.21987 7.619474 62.26713       23.65013 0.000000       0.000000 62.26713       23.65013 ?        ?        32.21987 7.619474 ?              ?        
1 1 1 6   45 13 o 20.65026 7.313901 23.75666       18.49094 0.000000       0.000000 23.75666       18.49094 ?        ?        20.65026 7.313901 ?              ?        
1 1 1 6   45 14 f 13.62856 6.140947 -4.001074      17.27511 0.000000       0.000000 -4.001074      17.27511 ?        ?        13.62856 6.140947 ?              ?        
1 1 1 6   45 15 o 25.72586 6.833417 38.92807       17.49647 0.000000       0.000000 38.92807       17.49647 ?        ?        25.72586 6.833417 ?              ?        
1 1 1 6   45 16 o 21.85327 8.753428 25.32158       28.43434 0.000000       0.000000 25.32158       28.43434 ?        ?        21.85327 8.753428 ?              ?        
1 1 1 6   45 17 o 28.40611 9.234768 53.79707       29.40985 0.000000       0.000000 53.79707       29.40985 ?        ?        28.40611 9.234768 ?              ?        
1 1 1 6   45 18 o 15.13400 7.090301 -14.31308      26.37122 0.000000       0.000000 -14.31308      26.37122 ?        ?        15.13400 7.090301 ?              ?        
1 1 1 6   45 19 o 40.16310 8.183657 100.2987       31.07893 0.000000       0.000000 100.2987       31.07893 ?        ?        40.16310 8.183657 ?              ?        
1 1 1 6   45 20 o 37.27413 9.985919 97.51000       37.16541 0.000000       0.000000 97.51000       37.16541 ?        ?        37.27413 9.985919 ?              ?        
1 1 1 6   45 21 o 19.09784 8.157476 13.19512       26.98870 0.000000       0.000000 13.19512       26.98870 ?        ?        19.09784 8.157476 ?              ?        
1 1 1 6   45 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 6   46 0  o 16.09091 7.001341 3.299086       20.60757 0.000000       0.000000 3.299086       20.60757 ?        ?        16.09091 7.001341 ?              ?        
1 1 1 6   46 1  o 34.42939 7.109103 69.39122       23.16403 0.000000       0.000000 69.39122       23.16403 ?        ?        34.42939 7.109103 ?              ?        
1 1 1 6   46 2  o 35.54243 5.969703 70.41468       20.03300 30.05000       36.43524 87.90453       23.98358 23.58526 9.734699 39.41654 6.438316 -15.83128      11.67117 
1 1 1 6   46 3  o 19.07479 7.378357 17.80840       19.59038 25.54000       31.37174 12.86629       25.08188 22.31850 9.102219 18.99667 7.976955 3.321831       12.10298 
1 1 1 6   46 4  o 26.92331 8.015468 44.74620       22.69071 0.000000       0.000000 44.74620       22.69071 ?        ?        26.92331 8.015468 ?              ?        
1 1 1 6   46 5  o 12.09201 5.739812 -17.19425      18.34332 0.000000       0.000000 -17.19425      18.34332 ?        ?        12.09201 5.739812 ?              ?        
1 1 1 6   46 6  o 27.28978 7.277605 44.56313       19.79581 0.000000       0.000000 44.56313       19.79581 ?        ?        27.28978 7.277605 ?              ?        
1 1 1 6   46 7  o 28.87447 7.176137 49.63982       20.19360 0.000000       0.000000 49.63982       20.19360 ?        ?        28.87447 7.176137 ?              ?        
1 1 1 6   46 8  o 20.50859 7.775244 22.67778       21.46474 0.000000       0.000000 22.67778       21.46474 ?        ?        20.50859 7.775244 ?              ?        
1 1 1 6   46 9  o 32.68891 6.508489 61.44693       20.09284 0.000000       0.000000 61.44693       20.09284 ?        ?        32.68891 6.508489 ?              ?        
1 1 1 6   46 10 o 17.50280 8.079055 -7.488248      32.30846 0.000000       0.000000 -7.488248      32.30846 ?        ?        17.50280 8.079055 ?              ?        
1 1 1 6   46 11 o 14.52911 6.429871 -0.2682662     18.05984 0.000000       0.000000 -0.2682662     18.05984 ?        ?        14.52911 6.429871 ?              ?        
1 1 1 6   46 12 o 34.43296 6.769070 69.10818       22.00076 0.000000       0.000000 69.10818       22.00076 ?        ?        34.43296 6.769070 ?              ?        
1 1 1 6   46 13 o 12.64056 5.855643 -9.325769      17.19733 0.000000       0.000000 -9.325769      17.19733 ?        ?        12.64056 5.855643 ?              ?        
1 1 1 6   46 14 o 16.08880 6.796145 7.253050       18.37893 0.000000       0.000000 7.253050       18.37893 ?        ?        16.08880 6.796145 ?              ?        
1 1 1 6   46 15 o 21.56776 8.033436 27.30903       22.69600 0.000000       0.000000 27.30903       22.69600 ?        ?        21.56776 8.033436 ?              ?        
1 1 1 6   46 16 o 27.75833 9.112251 52.55101       28.60152 0.000000       0.000000 52.55101       28.60152 ?        ?        27.75833 9.112251 ?              ?        
1 1 1 6   46 17 o 19.77215 8.308969 17.04785       27.24584 0.000000       0.000000 17.04785       27.24584 ?        ?        19.77215 8.308969 ?              ?        
1 1 1 6   46 18 o 20.84847 9.815962 -1.941000      51.63996 0.000000       0.000000 -1.941000      51.63996 ?        ?        20.84847 9.815962 ?              ?        
1 1 1 6   47 0  o 28.49708 7.030097 48.61397       19.48641 68.87000       37.32099 41.02208       22.84815 30.61669 10.41572 25.47084 8.126917 5.145857       13.21113 
1 1 1 6   47 1  o 37.49016 6.698812 81.64241       23.68000 0.000000       0.000000 81.64241       23.68000 ?        ?        37.49016 6.698812 ?              ?        
1 1 1 6   47 2  o 18.89337 7.615264 16.52190       21.66401 0.000000       0.000000 16.52190       21.66401 ?        ?        18.89337 7.615264 ?              ?        
1 1 1 6   47 3  o 33.96782 6.304819 66.15090       20.19108 0.000000       0.000000 66.15090       20.19108 ?        ?        33.96782 6.304819 ?              ?        
1 1 1 6   47 4  o 18.94675 7.515010 17.45043       20.75540 0.000000       0.000000 17.45043       20.75540 ?        ?        18.94675 7.515010 ?              ?        
1 1 1 6   47 5  o 13.94020 6.329463 -4.669512      18.77164 0.000000       0.000000 -4.669512      18.77164 ?        ?        13.94020 6.329463 ?              ?        
1 1 1 6   47 6  o 31.00376 7.370667 58.50710       22.03813 0.000000       0.000000 58.50710       22.03813 ?        ?        31.00376 7.370667 ?              ?        
1 1 1 6   47 7  o 20.56863 7.686661 23.99381       20.81290 0.000000       0.000000 23.99381       20.81290 ?        ?        20.56863 7.686661 ?              ?        
1 1 1 6   47 8  o 11.75130 5.620513 -18.88487      18.28742 0.000000       0.000000 -18.88487      18.28742 ?        ?        11.75130 5.620513 ?              ?        
1 1 1 6   47 9  o 28.02641 8.129178 50.49953       23.59850 0.000000       0.000000 50.49953       23.59850 ?        ?        28.02641 8.129178 ?              ?        
1 1 1 6   47 10 o 14.28480 6.361908 -0.6861093     17.96235 0.000000       0.000000 -0.6861093     17.96235 ?        ?        14.28480 6.361908 ?              ?        
1 1 1 6   47 11 o 13.45664 6.080106 -3.544555      17.06935 0.000000       0.000000 -3.544555      17.06935 ?        ?        13.45664 6.080106 ?              ?        
1 1 1 6   47 12 o 17.34679 7.129706 12.15623       19.43605 0.000000       0.000000 12.15623       19.43605 ?        ?        17.34679 7.129706 ?              ?        
1 1 1 6   47 13 o 23.87636 10.62128 33.20000       49.91719 0.000000       0.000000 33.20000       49.91719 ?        ?        23.87636 10.62128 ?              ?        
1 1 1 6   48 0  o 48.00864 5.525441 128.1569       25.49229 0.000000       0.000000 128.1569       25.49229 ?        ?        48.00864 5.525441 ?              ?        
1 1 1 6   48 1  o 23.44316 7.457824 34.24343       19.25235 0.000000       0.000000 34.24343       19.25235 ?        ?        23.44316 7.457824 ?              ?        
1 1 1 6   48 2  o 30.89610 7.645761 59.94200       22.99557 0.000000       0.000000 59.94200       22.99557 ?        ?        30.89610 7.645761 ?              ?        
1 1 1 6   48 3  o 26.23338 11.12444 53.76000       49.56199 0.000000       0.000000 53.76000       49.56199 ?        ?        26.23338 11.12444 ?              ?        
1 1 1 6   48 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  0  o 119.8178 4.090827 705.4078       47.85072 705.4078       47.85072 705.4078       47.85072 119.8178 4.090827 119.8178 4.090827 0.000000       0.000000 
1 1 1 7   0  1  o 222.8587 6.322618 2439.351       137.6707 2439.351       137.6707 2439.351       137.6707 222.8587 6.322618 222.8587 6.322618 0.000000       0.000000 
1 1 1 7   0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  3  o 246.2992 6.889325 2979.792       165.7971 2979.792       165.7971 2979.792       165.7971 246.2992 6.889325 246.2992 6.889325 0.000000       0.000000 
1 1 1 7   0  4  o 478.3535 12.72899 11270.91       595.0501 11270.91       595.0501 11270.91       595.0501 478.3535 12.72899 478.3535 12.72899 0.000000       0.000000 
1 1 1 7   0  5  o 34.99612 4.249440 62.56686       13.98551 62.56686       13.98551 62.56686       13.98551 34.99612 4.249440 34.99612 4.249440 0.000000       0.000000 
1 1 1 7   0  6  o 462.2066 12.30883 10512.68       555.9842 10512.68       555.9842 10512.68       555.9842 462.2066 12.30883 462.2066 12.30883 0.000000       0.000000 
1 1 1 7   0  7  o 166.8080 5.073391 1366.227       82.66283 1366.227       82.66283 1366.227       82.66283 166.8080 5.073391 166.8080 5.073391 0.000000       0.000000 
1 1 1 7   0  8  o 431.7615 11.52346 9162.531       486.2203 9162.531       486.2203 9162.531       486.2203 431.7615 11.52346 431.7615 11.52346 0.000000       0.000000 
1 1 1 7   0  9  f 574.0465 15.17783 16212.93       851.4835 16212.93       851.4835 16212.93       851.4835 574.0465 15.17783 574.0465 15.17783 0.000000       0.000000 
1 1 1 7   0  10 o 352.4720 9.529915 6100.489       328.2477 6100.489       328.2477 6100.489       328.2477 352.4720 9.529915 352.4720 9.529915 0.000000       0.000000 
1 1 1 7   0  11 o 185.7576 7.841753 1699.000       142.0031 1699.000       142.0031 1699.000       142.0031 185.7576 7.841753 185.7576 7.841753 0.000000       0.000000 
1 1 1 7   0  12 o 158.4058 7.022896 1236.000       108.4029 1236.000       108.4029 1236.000       108.4029 158.4058 7.022896 158.4058 7.022896 0.000000       0.000000 
1 1 1 7   0  13 o 463.7423 17.54778 10610.00       793.9423 10610.00       793.9423 10610.00       793.9423 463.7423 17.54778 463.7423 17.54778 0.000000       0.000000 
1 1 1 7   0  14 o 302.6146 8.324597 4495.975       246.1590 4495.975       246.1590 4495.975       246.1590 302.6146 8.324597 302.6146 8.324597 0.000000       0.000000 
1 1 1 7   0  15 o 185.2951 5.638145 1685.750       102.0457 1685.750       102.0457 1685.750       102.0457 185.2951 5.638145 185.2951 5.638145 0.000000       0.000000 
1 1 1 7   0  16 o 256.0779 10.34195 3230.000       258.2644 3230.000       258.2644 3230.000       258.2644 256.0779 10.34195 256.0779 10.34195 0.000000       0.000000 
1 1 1 7   0  17 o 609.4673 23.00692 18410.00       1368.062 18410.00       1368.062 18410.00       1368.062 609.4673 23.00692 609.4673 23.00692 0.000000       0.000000 
1 1 1 7   0  18 o 244.2179 10.00133 2939.000       238.1655 2939.000       238.1655 2939.000       238.1655 244.2179 10.00133 244.2179 10.00133 0.000000       0.000000 
1 1 1 7   0  19 o 167.9787 5.291039 1385.897       86.80083 1385.897       86.80083 1385.897       86.80083 167.9787 5.291039 167.9787 5.291039 0.000000       0.000000 
1 1 1 7   0  20 o 198.7251 5.935330 1939.590       115.2194 1939.590       115.2194 1939.590       115.2194 198.7251 5.935330 198.7251 5.935330 0.000000       0.000000 
1 1 1 7   0  21 o 64.35144 4.731559 206.0633       29.42513 206.0633       29.42513 206.0633       29.42513 64.35144 4.731559 64.35144 4.731559 0.000000       0.000000 
1 1 1 7   0  22 o 94.75124 4.436517 442.5417       40.94031 442.5417       40.94031 442.5417       40.94031 94.75124 4.436517 94.75124 4.436517 0.000000       0.000000 
1 1 1 7   0  23 o 97.23518 4.470225 465.9753       42.34058 465.9753       42.34058 465.9753       42.34058 97.23518 4.470225 97.23518 4.470225 0.000000       0.000000 
1 1 1 7   0  24 o 239.0663 6.875739 2809.109       160.5943 2809.109       160.5943 2809.109       160.5943 239.0663 6.875739 239.0663 6.875739 0.000000       0.000000 
1 1 1 7   0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  27 f 192.7088 5.898094 1825.732       111.0189 1825.732       111.0189 1825.732       111.0189 192.7088 5.898094 192.7088 5.898094 0.000000       0.000000 
1 1 1 7   0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   0  29 o 189.0807 5.883393 1758.227       108.6494 1758.227       108.6494 1758.227       108.6494 189.0807 5.883393 189.0807 5.883393 0.000000       0.000000 
1 1 1 7   0  30 o 135.4497 4.886586 902.7482       64.59573 902.7482       64.59573 902.7482       64.59573 135.4497 4.886586 135.4497 4.886586 0.000000       0.000000 
1 1 1 7   0  31 o 203.5324 6.132808 2038.128       121.9285 2038.128       121.9285 2038.128       121.9285 203.5324 6.132808 203.5324 6.132808 0.000000       0.000000 
1 1 1 7   0  32 o 231.1434 6.764927 2630.873       152.7593 2630.873       152.7593 2630.873       152.7593 231.1434 6.764927 231.1434 6.764927 0.000000       0.000000 
1 1 1 7   0  33 o 163.3630 5.356042 1313.677       85.43657 1313.677       85.43657 1313.677       85.43657 163.3630 5.356042 163.3630 5.356042 0.000000       0.000000 
1 1 1 7   0  34 o 70.14763 5.006232 245.1107       33.96397 245.1107       33.96397 245.1107       33.96397 70.14763 5.006232 70.14763 5.006232 0.000000       0.000000 
1 1 1 7   0  35 o 91.77233 6.463803 420.4000       57.39004 420.4000       57.39004 420.4000       57.39004 91.77233 6.463803 91.77233 6.463803 0.000000       0.000000 
1 1 1 7   0  36 f 102.5848 6.454623 524.3000       64.21746 524.3000       64.21746 524.3000       64.21746 102.5848 6.454623 102.5848 6.454623 0.000000       0.000000 
1 1 1 7   0  37 o 47.68516 6.795796 118.6813       29.85891 118.6813       29.85891 118.6813       29.85891 47.68516 6.795796 47.68516 6.795796 0.000000       0.000000 
1 1 1 7   0  38 f 59.01931 9.924438 187.2000       52.46546 187.2000       52.46546 187.2000       52.46546 59.01931 9.924438 59.01931 9.924438 0.000000       0.000000 
1 1 1 7   0  39 o 46.28764 6.902532 112.6723       29.22803 112.6723       29.22803 112.6723       29.22803 46.28764 6.902532 46.28764 6.902532 0.000000       0.000000 
1 1 1 7   0  40 f 62.67785 5.519209 198.2629       33.22987 198.2629       33.22987 198.2629       33.22987 62.67785 5.519209 62.67785 5.519209 0.000000       0.000000 
1 1 1 7   0  41 o 60.39949 5.839062 185.2647       33.73123 185.2647       33.73123 185.2647       33.73123 60.39949 5.839062 60.39949 5.839062 0.000000       0.000000 
1 1 1 7   0  42 o 12.31199 8.167131 -6.066372      26.03298 -6.066372      26.03298 -6.066372      26.03298 12.31199 8.167131 12.31199 8.167131 0.000000       0.000000 
1 1 1 7   0  43 o 16.40673 9.645698 16.30699       26.23013 16.30699       26.23013 16.30699       26.23013 16.40673 9.645698 16.40673 9.645698 0.000000       0.000000 
1 1 1 7   0  44 o 36.66663 9.333849 79.00320       28.95976 79.00320       28.95976 79.00320       28.95976 36.66663 9.333849 36.66663 9.333849 0.000000       0.000000 
1 1 1 7   0  45 o 42.39693 8.220764 99.36755       30.42886 99.36755       30.42886 99.36755       30.42886 42.39693 8.220764 42.39693 8.220764 0.000000       0.000000 
1 1 1 7   0  46 o 126.9126 5.133618 802.6929       63.53505 802.6929       63.53505 802.6929       63.53505 126.9126 5.133618 126.9126 5.133618 0.000000       0.000000 
1 1 1 7   0  47 o 11.81697 7.936697 -8.735402      25.94969 -8.735402      25.94969 -8.735402      25.94969 11.81697 7.936697 11.81697 7.936697 0.000000       0.000000 
1 1 1 7   0  48 f 90.46076 4.974941 410.3524       43.74418 410.3524       43.74418 410.3524       43.74418 90.46076 4.974941 90.46076 4.974941 0.000000       0.000000 
1 1 1 7   0  49 o 34.27401 9.839994 72.89148       28.61719 72.89148       28.61719 72.89148       28.61719 34.27401 9.839994 34.27401 9.839994 0.000000       0.000000 
1 1 1 7   0  50 o 50.97615 6.503792 136.8041       31.00967 136.8041       31.00967 136.8041       31.00967 50.97615 6.503792 50.97615 6.503792 0.000000       0.000000 
1 1 1 7   0  51 o 14.04476 9.071444 2.476000       29.10508 2.476000       29.10508 2.476000       29.10508 14.04476 9.071444 14.04476 9.071444 0.000000       0.000000 
1 1 1 7   0  52 o 27.80379 10.64799 54.56544       27.35516 54.56544       27.35516 54.56544       27.35516 27.80379 10.64799 27.80379 10.64799 0.000000       0.000000 
1 1 1 7   0  53 o 51.63363 13.39558 169.3000       58.50023 169.3000       58.50023 169.3000       58.50023 51.63363 13.39558 51.63363 13.39558 0.000000       0.000000 
1 1 1 7   0  54 o 19.71614 10.24710 30.80863       25.66945 30.80863       25.66945 30.80863       25.66945 19.71614 10.24710 19.71614 10.24710 0.000000       0.000000 
1 1 1 7   0  55 o 50.49352 6.329195 134.9461       29.95240 134.9461       29.95240 134.9461       29.95240 50.49352 6.329195 50.49352 6.329195 0.000000       0.000000 
1 1 1 7   0  56 o 10.26839 7.224131 -28.26000      28.30358 -28.26000      28.30358 -28.26000      28.30358 10.26839 7.224131 10.26839 7.224131 0.000000       0.000000 
1 1 1 7   0  57 o 13.10236 8.485841 2.042600       25.70212 2.042600       25.70212 2.042600       25.70212 13.10236 8.485841 13.10236 8.485841 0.000000       0.000000 
1 1 1 7   0  58 o 30.53840 10.13501 62.28639       26.94910 62.28639       26.94910 62.28639       26.94910 30.53840 10.13501 30.53840 10.13501 0.000000       0.000000 
1 1 1 7   0  59 o 46.29580 6.940976 116.3979       29.36991 116.3979       29.36991 116.3979       29.36991 46.29580 6.940976 46.29580 6.940976 0.000000       0.000000 
1 1 1 7   0  60 o 50.65245 6.500506 137.0115       30.77575 137.0115       30.77575 137.0115       30.77575 50.65245 6.500506 50.65245 6.500506 0.000000       0.000000 
1 1 1 7   0  61 o 18.29474 10.08770 26.75464       26.23254 26.75464       26.23254 26.75464       26.23254 18.29474 10.08770 18.29474 10.08770 0.000000       0.000000 
1 1 1 7   0  62 o 25.71395 11.85894 54.20000       32.80716 54.20000       32.80716 54.20000       32.80716 25.71395 11.85894 25.71395 11.85894 0.000000       0.000000 
1 1 1 7   1  0  o 232.6334 4.617235 2651.848       105.1381 2596.127       146.7791 2710.564       150.6728 229.9448 6.527909 234.9587 6.557860 -5.013870      9.253060 
1 1 1 7   1  1  o 417.9290 7.872382 8578.402       322.0437 8669.521       458.9177 8489.995       452.0375 419.2467 11.19303 414.8951 11.14097 4.351624       15.79257 
1 1 1 7   1  2  o 207.6093 4.201256 2111.541       85.37528 2100.302       120.3632 2122.921       121.1181 206.8682 5.950386 207.9795 5.955658 -1.111313      8.418845 
1 1 1 7   1  3  o 375.8697 7.122622 6933.639       262.0495 6703.887       362.3237 7185.635       379.4578 368.9488 10.04219 381.9571 10.15847 -13.00827      14.28426 
1 1 1 7   1  4  o 520.2083 9.728273 13310.28       495.3581 13337.99       701.5214 13282.72       699.5670 519.2663 13.81435 518.1927 13.80444 1.073608       19.52944 
1 1 1 7   1  5  o 338.9695 6.464767 5634.771       214.4962 5679.885       305.0464 5590.650       301.6688 339.8528 9.178392 337.1758 9.148910 2.676971       12.95938 
1 1 1 7   1  6  o 409.2847 7.717432 8219.502       309.1751 8089.472       432.4313 8355.479       442.2120 405.3703 10.90822 411.9710 10.97601 -6.600739      15.47456 
1 1 1 7   1  7  f 239.8502 4.753031 2817.880       111.5878 2857.896       159.2185 2779.250       156.4364 241.3503 6.746300 238.0058 6.721700 3.344452       9.523330 
1 1 1 7   1  8  o 363.3825 6.901396 6472.333       245.4749 6543.386       349.8425 6403.423       344.5265 364.9610 9.801967 361.0399 9.757973 3.921112       13.83100 
1 1 1 7   1  9  o 346.5160 6.604490 5883.596       224.0107 5985.317       320.6612 5786.631       313.0731 349.1599 9.390968 343.3190 9.324896 5.840851       13.23420 
1 1 1 7   1  10 o 84.78834 3.068490 352.3852       25.42438 286.9000       40.58249 394.6920       32.61909 76.34114 5.467119 89.71053 3.722777 -13.36938      6.614262 
1 1 1 7   1  11 o 367.6215 8.061660 6624.396       290.0892 6539.000       497.4403 6668.403       357.0968 364.4195 13.97135 368.5638 9.907432 -4.144318      17.12763 
1 1 1 7   1  12 o 395.6696 10.60263 7688.022       410.2615 7639.000       577.4170 7738.000       583.0184 393.7365 15.00976 396.2746 15.05812 -2.538147      21.26123 
1 1 1 7   1  13 o 260.0654 5.921702 3312.970       150.7424 3348.037       186.0690 3246.000       257.1372 261.2792 7.282607 256.9997 10.24228 4.279480       12.56745 
1 1 1 7   1  14 o 469.7692 10.19242 10829.40       468.6708 10643.09       567.2783 11230.00       831.8404 465.2383 12.46827 476.7405 17.85747 -11.50226      21.77951 
1 1 1 7   1  15 o 320.6283 7.151156 5038.289       224.4317 4963.002       271.9659 5199.000       397.3570 317.9949 8.745824 324.9994 12.51423 -7.004486      15.26746 
1 1 1 7   1  16 o 340.0392 7.543468 5668.324       251.0767 5599.701       304.8610 5813.000       442.6570 337.7104 9.231213 343.5174 13.18925 -5.807007      16.09880 
1 1 1 7   1  17 o 251.9532 5.837594 3110.232       143.9660 3043.000       247.5544 3144.591       176.9693 248.7295 10.18961 253.1713 7.148457 -4.441757      12.44703 
1 1 1 7   1  18 o 244.3838 5.695835 2926.479       136.2498 0.000000       0.000000 2926.479       136.2498 ?        ?        244.3838 5.695835 ?              ?        
1 1 1 7   1  19 o 81.74332 3.786463 327.9264       30.21418 0.000000       0.000000 327.9264       30.21418 ?        ?        81.74332 3.786463 ?              ?        
1 1 1 7   1  20 o 127.8951 3.257289 801.4744       40.74391 767.9312       56.18566 838.6774       59.17138 125.1145 4.595685 130.7558 4.630528 -5.641342      6.523965 
1 1 1 7   1  21 o 181.8312 3.933371 1619.534       70.00669 1660.411       100.0425 1580.311       97.99793 183.9482 5.562657 179.4502 5.585935 4.497940       7.883262 
1 1 1 7   1  22 o 326.7646 6.310172 5239.027       201.8285 5238.964       285.2265 5239.090       285.6311 326.2251 8.940791 326.2263 8.953465 -0.1220703E-02 12.65315 
1 1 1 7   1  23 o 231.5594 4.711534 2628.340       106.7901 2613.477       150.5022 2643.410       151.5513 230.6265 6.673970 231.9434 6.682272 -1.316895      9.444291 
1 1 1 7   1  24 o 165.0369 4.314692 1335.838       69.64091 1369.000       121.5044 1319.615       84.98531 166.7280 7.464140 163.9426 5.302950 2.785370       9.156128 
1 1 1 7   1  25 o 251.6048 5.840395 3107.266       143.8359 3241.000       255.2915 3045.069       174.0993 256.0010 10.20846 248.7913 7.156608 7.209702       12.46714 
1 1 1 7   1  26 o 180.5070 3.967646 1596.976       70.10242 1569.112       97.98843 1626.189       100.3327 178.7080 5.608705 181.9283 5.641067 -3.220261      7.954823 
1 1 1 7   1  27 f 175.4346 5.547445 1512.364       95.14111 1512.364       95.14111 0.000000       0.000000 175.4346 5.547445 ?        ?        ?              ?        
1 1 1 7   1  28 o 170.1149 3.873103 1418.560       64.49228 1406.927       90.36333 1430.636       92.07240 169.1965 5.463416 170.6102 5.520652 -1.413696      7.767015 
1 1 1 7   1  29 f 305.3579 5.984993 4582.061       178.8871 4470.003       248.5708 4702.447       257.6421 300.8800 8.448524 308.5809 8.538059 -7.700867      12.01149 
1 1 1 7   1  30 o 164.2987 3.768548 1323.491       60.60582 1275.678       83.59884 1376.457       87.98869 161.0755 5.309560 167.3135 5.379655 -6.238068      7.558579 
1 1 1 7   1  31 o 190.2123 4.124650 1774.867       76.79482 1733.533       106.8919 1818.960       110.4017 187.6781 5.825739 192.2422 5.873955 -4.564148      8.273004 
1 1 1 7   1  32 o 116.4597 3.322090 665.4763       37.83112 678.7204       53.58571 652.3152       53.41727 117.4693 4.669652 115.1480 4.749549 2.321335       6.660621 
1 1 1 7   1  33 o 143.6010 3.530810 1011.501       49.62928 1021.979       70.42207 1001.162       69.95308 144.0949 5.000491 142.6151 5.018949 1.479843       7.084826 
1 1 1 7   1  34 o 74.05517 3.857092 269.9765       27.86263 293.6394       35.18752 230.2000       45.62125 77.13843 4.682328 67.88789 6.964063 9.250542       8.391804 
1 1 1 7   1  35 o 128.9487 3.426417 816.7562       43.20942 793.0669       60.04050 842.2072       62.23316 126.8323 4.845153 130.7027 4.872951 -3.870415      6.871766 
1 1 1 7   1  36 f 122.8524 3.892168 742.7694       46.74479 710.9000       76.75362 761.5595       58.93550 119.5684 6.583483 124.2080 4.856900 -4.639618      8.181181 
1 1 1 7   1  37 o 95.29321 4.707798 449.0134       43.77633 483.2000       58.76884 406.4000       65.61328 98.52191 6.124362 89.92477 7.523172 8.597145       9.700822 
1 1 1 7   1  38 f 63.40286 3.660599 198.4874       22.62126 197.3725       31.63819 199.6534       32.35650 62.94752 5.180651 63.29340 5.270509 -0.3458786     7.390359 
1 1 1 7   1  39 o 126.3535 4.078613 788.4322       50.37751 739.6000       86.74158 813.2869       61.88406 121.1561 7.348908 128.0630 4.946137 -6.906860      8.858370 
1 1 1 7   1  40 o 116.7194 3.481765 671.8162       39.73407 673.2409       55.95560 670.3670       56.43237 116.4069 4.921979 116.1388 4.975680 0.2681427      6.998805 
1 1 1 7   1  41 o 96.43722 3.459108 459.0544       32.59950 456.2285       45.60334 462.0075       46.61876 95.73850 4.882478 96.31826 4.961487 -0.5797577     6.960958 
1 1 1 7   1  42 o 79.12134 3.683711 309.8307       28.45061 314.0962       39.92971 305.4323       40.54789 79.23976 5.176437 78.08152 5.337444 1.158241       7.435308 
1 1 1 7   1  43 o 45.96145 4.937419 106.3507       21.86476 61.39369       29.47248 161.3808       32.60752 33.85479 8.810298 56.39999 5.998438 -22.54520      10.65845 
1 1 1 7   1  44 o 44.29129 5.011598 99.10295       21.34577 122.3114       29.95192 75.14973       30.42869 48.81542 6.424245 37.44157 8.497999 11.37385       10.65302 
1 1 1 7   1  45 o 44.72647 5.050245 101.3050       21.72351 88.46415       29.90713 115.6468       31.60663 40.84732 7.763780 47.12146 7.070517 -6.274136      10.50088 
1 1 1 7   1  46 o 59.91769 4.148895 179.6102       24.18263 185.9762       33.89759 173.0124       34.50941 60.35981 5.809050 58.04869 6.167800 2.311127       8.472711 
1 1 1 7   1  47 o 67.55703 3.877668 228.0191       25.53401 232.2760       35.70950 223.5655       36.52542 67.52612 5.448873 66.11938 5.699220 1.406731       7.884880 
1 1 1 7   1  48 o 18.34268 7.120906 12.31492       18.29701 17.86110       25.69744 6.611976       26.05810 21.58572 8.422248 19.37171 8.132339 2.214008       11.70766 
1 1 1 7   1  49 o 38.97803 5.443493 78.68240       20.20278 104.8957       28.82639 53.37771       28.32237 44.46551 6.842109 30.89347 8.889164 13.57203       11.21747 
1 1 1 7   1  50 o 77.81122 3.954782 303.7442       30.02233 302.5775       38.31437 305.6000       48.32240 77.03725 5.109945 76.48038 6.516962 0.5568619      8.281445 
1 1 1 7   1  51 o 19.64268 7.213214 17.50358       18.18352 50.31107       25.75290 -15.11339      25.67802 29.95410 8.429751 15.69884 7.230584 14.25526       11.10595 
1 1 1 7   1  52 o 28.32764 8.739327 45.08188       26.64350 59.14000       31.04527 5.782000       51.90719 32.01114 9.335310 24.76008 10.93179 7.251062       14.37540 
1 1 1 7   1  53 o 35.61661 6.245287 67.83442       20.97922 49.88000       31.97798 81.40133       27.79751 29.47654 9.632711 38.33919 7.675227 -8.862648      12.31658 
1 1 1 7   1  54 o 66.23083 4.529306 223.7853       29.18612 300.1000       56.52867 196.0479       34.07985 73.80969 7.949572 61.21292 5.755380 12.59677       9.814280 
1 1 1 7   1  55 o 17.68579 6.929196 11.80868       17.45341 14.17674       24.63511 9.422180       24.73085 20.08286 8.111448 19.13460 7.969589 0.9482594      11.37145 
1 1 1 7   1  56 o 61.81758 4.800030 196.5509       28.81694 124.9000       53.03226 226.5710       34.32698 43.72694 12.01962 66.00933 5.358859 -22.28239      13.16012 
1 1 1 7   1  57 o 35.27413 6.341503 67.33492       21.09063 100.5030       27.15407 16.90000       33.48422 43.07029 6.655275 22.39174 9.295340 20.67854       11.43224 
1 1 1 7   1  58 f 18.95664 7.112967 16.19140       17.85945 22.55799       24.48012 8.947134       26.11304 21.87347 8.300955 19.33277 8.129974 2.540699       11.61905 
1 1 1 7   1  59 f 25.84804 7.203657 37.49701       18.90379 33.75080       25.74003 41.88342       27.85277 24.76672 8.640681 26.97610 8.997457 -2.209383      12.47460 
1 1 1 7   1  60 o 32.50208 6.319394 57.74930       19.38026 78.35287       27.02485 35.93494       27.80758 37.14943 7.685658 25.35238 8.970104 11.79705       11.81237 
1 1 1 7   1  61 o 36.61806 6.131720 72.89325       21.20144 75.46450       27.50678 69.13000       33.27742 36.08109 7.998579 33.37553 9.645248 2.705559       12.53029 
1 1 1 7   1  62 o 17.20426 7.106569 8.703932       19.43825 27.63547       25.65774 -16.80000      29.78030 22.84644 8.535224 16.34588 7.617399 6.500559       11.44005 
1 1 1 7   2  0  o 235.6943 4.671218 2722.114       107.7669 2674.987       150.9098 2771.157       153.9464 233.4089 6.611983 237.5691 6.626707 -4.160248      9.361173 
1 1 1 7   2  1  o 380.2995 7.199194 7098.771       267.9883 7311.828       387.0115 6902.500       371.4526 385.2545 10.27206 374.3377 10.14692 10.91675       14.43867 
1 1 1 7   2  2  o 321.3675 6.152133 5065.078       193.5236 5208.327       279.0107 4932.270       268.6505 325.4144 8.767460 316.6832 8.674924 8.731171       12.33380 
1 1 1 7   2  3  o 98.65742 2.639165 476.8799       25.46316 529.5037       37.58176 432.2214       34.62088 103.9110 3.700865 93.86380 3.775905 10.04724       5.287141 
1 1 1 7   2  4  o 313.3615 6.014667 4814.578       184.4860 4921.732       264.9752 4713.768       257.0121 316.4195 8.563184 309.6695 8.487088 6.750000       12.05648 
1 1 1 7   2  5  o 141.1000 3.188922 974.8462       44.04303 1013.401       63.63658 939.3987       61.01840 143.7576 4.528058 138.4049 4.510070 5.352631       6.390934 
1 1 1 7   2  6  o 176.0401 3.711527 1517.555       63.95443 1577.568       92.52376 1462.646       88.50074 179.3584 5.275911 172.6985 5.241494 6.659958       7.436969 
1 1 1 7   2  7  o 114.8988 2.867532 646.2994       32.25003 645.4248       45.69304 647.1675       45.52427 114.7318 4.075212 114.8879 4.054562 -0.1560516     5.748637 
1 1 1 7   2  8  o 320.9882 6.153985 5048.388       193.3534 5053.948       273.7687 5042.855       273.1184 320.8615 8.724957 320.5101 8.713770 0.3513794      12.33104 
1 1 1 7   2  9  o 270.7175 6.099828 3590.352       161.6368 3524.000       275.9026 3625.026       199.4478 267.7362 10.54856 271.8500 7.502556 -4.113770      12.94452 
1 1 1 7   2  10 o 528.0457 11.38324 13689.36       588.3608 13590.00       1013.164 13739.92       722.7080 524.1057 19.78495 528.4160 13.98501 -4.310303      24.22859 
1 1 1 7   2  11 o 367.9129 8.065745 6634.878       290.4663 6619.000       501.6415 6642.887       356.2671 366.6431 14.00370 367.8596 9.903363 -1.216461      17.15168 
1 1 1 7   2  12 o 321.5626 6.183300 5065.311       194.6221 4944.804       271.0079 5193.645       279.6708 317.4505 8.729959 325.3403 8.790251 -7.889771      12.38873 
1 1 1 7   2  13 o 434.7669 9.457898 9271.623       402.4921 9384.554       497.2340 9057.000       685.4756 437.0043 11.63471 428.4489 16.37521 8.555481       20.08766 
1 1 1 7   2  14 o 137.9212 4.779718 932.6434       64.42918 932.6434       64.42918 0.000000       0.000000 137.9212 4.779718 ?        ?        ?              ?        
1 1 1 7   2  15 o 511.7041 13.60184 12888.98       680.6714 12888.98       680.6714 0.000000       0.000000 511.7041 13.60184 ?        ?        ?              ?        
1 1 1 7   2  16 f 231.4863 4.701803 2624.281       106.5359 2708.898       153.9347 2546.490       147.5942 235.0146 6.698516 227.8604 6.624537 7.154251       9.420967 
1 1 1 7   2  17 o 110.1020 3.188273 593.9846       34.32410 554.2974       47.72938 636.4932       49.39679 106.2863 4.598660 113.9172 4.438486 -7.630974      6.391231 
1 1 1 7   2  18 o 264.4341 6.069488 3427.041       157.0998 0.000000       0.000000 3427.041       157.0998 ?        ?        264.4341 6.069488 ?              ?        
1 1 1 7   2  19 o 299.7152 6.759323 4405.128       198.2979 0.000000       0.000000 4405.128       198.2979 ?        ?        299.7152 6.759323 ?              ?        
1 1 1 7   2  20 o 184.4143 4.604250 1666.182       83.11125 1764.000       148.7461 1621.782       100.2138 189.3773 8.042695 181.8060 5.638176 7.571320       9.822116 
1 1 1 7   2  21 o 193.2188 4.106709 1828.912       77.66933 1824.482       109.2616 1833.438       110.4298 192.8062 5.796071 193.2747 5.843921 -0.4685516     8.230786 
1 1 1 7   2  22 o 137.4283 4.733554 926.7678       63.58003 922.5000       89.07792 931.2000       90.77766 136.9341 6.665902 137.5695 6.762130 -0.6353302     9.495296 
1 1 1 7   2  23 o 102.4457 4.546435 515.4106       45.47657 0.000000       0.000000 515.4106       45.47657 ?        ?        102.4457 4.546435 ?              ?        
1 1 1 7   2  24 o 162.7657 3.704922 1297.970       59.02663 1248.768       81.34641 1352.685       85.78268 159.4826 5.217999 165.9857 5.286604 -6.503174      7.428035 
1 1 1 7   2  25 o 241.7404 4.888938 2865.952       115.6831 2863.291       163.0396 2868.650       164.1675 241.2830 6.910474 241.5017 6.952049 -0.2187653     9.802328 
1 1 1 7   2  26 o 124.4363 4.844801 760.6326       58.89774 771.3000       82.06242 749.3000       84.58270 125.0948 6.726652 123.2509 7.040372 1.843933       9.737283 
1 1 1 7   2  27 o 191.2284 4.143980 1792.762       77.56688 1769.430       108.2912 1817.346       111.1572 189.7318 5.837996 192.2753 5.913227 -2.543488      8.309540 
1 1 1 7   2  28 o 213.5287 6.359193 2242.998       132.7640 2169.000       182.5932 2326.000       193.3844 209.4496 8.926805 216.8603 9.130783 -7.410736      12.76946 
1 1 1 7   2  29 o 159.4051 3.756431 1245.612       58.61163 1236.964       81.86122 1254.708       83.95723 158.6390 5.279193 159.7613 5.376499 -1.122299      7.535026 
1 1 1 7   2  30 o 136.7238 3.981539 917.5024       53.22781 940.3240       65.51854 873.2000       91.28594 138.3208 4.846653 132.9711 7.038661 5.349731       8.545923 
1 1 1 7   2  31 o 78.44388 3.381531 302.1925       25.90344 299.1103       35.50906 305.6983       37.87090 77.91978 4.677233 78.74698 4.938070 -0.8271942     6.801547 
1 1 1 7   2  32 o 105.4147 3.279360 545.3021       33.79619 558.4032       47.45130 531.8143       48.14634 106.5435 4.560589 103.9491 4.744418 2.594360       6.580917 
1 1 1 7   2  33 o 117.8881 3.807595 682.6734       43.87901 667.4849       53.35823 714.4000       77.11800 116.4568 4.690508 120.1681 6.581452 -3.711288      8.081855 
1 1 1 7   2  34 f 178.2575 3.989835 1560.507       69.61597 1558.202       98.07835 1562.847       98.82966 177.7328 5.644825 177.9891 5.679944 -0.2563019     8.007859 
1 1 1 7   2  35 o 189.5209 4.800905 1769.305       88.98907 1785.539       109.0801 1737.000       153.8767 190.0863 5.869608 186.5242 8.450076 3.562088       10.28864 
1 1 1 7   2  36 o 68.70097 4.252869 233.1431       28.45880 243.7123       33.72438 207.0000       53.03971 70.13548 4.944152 63.74945 8.728992 6.386032       10.03195 
1 1 1 7   2  37 o 46.14144 4.995435 106.3300       22.20224 125.8000       34.25269 92.22244       29.15673 49.73921 7.248432 42.43966 7.280796 7.299549       10.27374 
1 1 1 7   2  38 o 189.6730 4.818724 1779.015       89.39060 1806.000       153.8732 1765.269       109.8234 189.1884 8.329677 188.4248 5.962077 0.7636261      10.24353 
1 1 1 7   2  39 o 79.97517 3.440991 315.4115       26.87371 295.4265       36.89925 337.9859       39.21687 77.08935 4.915699 82.48476 4.879074 -5.395416      6.925999 
1 1 1 7   2  40 o 84.61864 4.253685 354.8365       35.11904 341.8000       65.23065 360.1575       41.67440 81.65529 8.275478 85.04427 5.028763 -3.388977      9.683595 
1 1 1 7   2  41 o 79.67736 4.380065 315.2770       34.02890 369.9000       65.87038 295.3925       39.74296 84.94396 8.017138 76.85102 5.316050 8.092941       9.619506 
1 1 1 7   2  42 o 26.27026 7.283374 36.06833       19.37937 46.30024       26.97575 25.15562       27.85872 29.67720 8.715133 24.22974 8.923126 5.447460       12.47300 
1 1 1 7   2  43 o 14.46993 6.432009 -5.879027      18.27078 -28.97962      25.19077 19.76151       26.53954 14.19848 6.735827 22.64424 8.631309 -8.445761      10.94855 
1 1 1 7   2  44 o 40.78362 5.379651 84.62337       20.95244 82.92112       28.74295 86.55361       30.60729 39.63440 7.686329 40.39677 8.023510 -0.7623711     11.11109 
1 1 1 7   2  45 o 30.02223 6.964680 47.74867       20.06978 83.33868       27.72805 8.585767       29.08658 39.74069 7.400405 20.87300 8.664047 18.86769       11.39437 
1 1 1 7   2  46 o 63.95893 4.058592 204.3858       25.27767 213.6710       34.92722 194.1734       36.62954 64.83360 5.557289 61.52021 6.165873 3.313381       8.300690 
1 1 1 7   2  47 o 26.77921 7.406538 38.57977       20.06718 45.59925       27.28043 30.30322       29.62261 28.95343 8.826612 25.23858 9.216542 3.714853       12.76142 
1 1 1 7   2  48 o 27.41556 7.308370 40.68859       19.96826 22.71607       26.76695 63.24244       29.98504 22.90620 8.682988 33.64125 8.950200 -10.73505      12.46998 
1 1 1 7   2  49 o 64.84225 4.290790 211.8609       27.08021 219.1922       34.73562 200.5000       43.24072 65.37849 5.478253 61.42325 7.336998 3.955242       9.156571 
1 1 1 7   2  50 o 59.59560 4.071048 178.7648       23.60537 175.1891       33.02425 182.5003       33.75378 58.13528 5.884402 59.34365 5.888464 -1.208374      8.324674 
1 1 1 7   2  51 o 78.00308 4.305241 307.2060       32.74370 317.7980       38.31127 278.5000       63.07021 78.93283 4.984089 70.40637 9.385345 8.526459       10.62666 
1 1 1 7   2  52 o 60.97569 3.847092 187.0969       22.84420 194.9989       32.06421 178.9514       32.55453 61.46509 5.383795 58.65658 5.743609 2.808514       7.872375 
1 1 1 7   2  53 o 58.87307 4.313217 175.9954       24.68310 177.6000       37.93252 174.8170       32.50661 57.60793 6.861735 57.83482 5.821278 -0.2268867     8.998371 
1 1 1 7   2  54 o 85.67821 3.875343 370.0079       32.41611 400.3000       52.92387 351.8201       41.00881 87.15041 6.245465 82.67686 5.092128 4.473549       8.058263 
1 1 1 7   2  55 o 54.97777 5.869622 159.1041       31.09861 0.000000       0.000000 159.1041       31.09861 ?        ?        54.97777 5.869622 ?              ?        
1 1 1 7   2  56 o 19.55938 7.132359 18.25481       17.73068 5.836292       24.38327 32.18972       25.82909 18.31653 7.786411 24.48775 8.646851 -6.171219      11.63599 
1 1 1 7   2  57 o 20.04830 7.200974 19.77433       17.98615 25.63880       24.27681 12.63842       26.77944 22.61815 8.329732 20.20913 8.343896 2.409018       11.79004 
1 1 1 7   2  58 o 14.83439 6.706901 -7.298598      20.80919 4.765144       23.22012 -56.51000      46.89821 17.74753 7.573216 17.86467 8.657885 -0.1171379     11.50272 
1 1 1 7   2  59 o 14.87957 6.468790 0.6090731E-01  17.56067 5.222744       23.57586 -6.372035      26.31905 17.89408 7.633239 16.83258 7.582677 1.061495       10.75934 
1 1 1 7   2  60 o 12.76071 5.961684 -14.40176      18.42804 -1.328607      23.79816 -33.98000      29.12325 16.75708 7.400042 14.56633 7.000015 2.190750       10.18631 
1 1 1 7   2  61 o 13.42523 6.179398 -10.35759      18.71184 -3.119428      23.94523 -21.71000      29.98808 16.43713 7.331323 15.95715 7.502789 0.4799805      10.49000 
1 1 1 7   2  62 o 37.78131 6.873732 79.92852       24.48386 76.37502       27.90330 91.82000       51.04413 36.04756 8.105466 35.78749 12.18098 0.2600670      14.63129 
1 1 1 7   3  0  o 276.6338 5.372025 3751.213       145.4620 3846.245       209.3026 3662.429       202.3044 279.7859 7.649805 273.0236 7.577379 6.762329       10.76737 
1 1 1 7   3  1  o 366.2697 6.963091 6582.972       249.6371 6509.231       351.5157 6658.006       354.5848 363.5950 9.886072 367.7355 9.859853 -4.140472      13.96249 
1 1 1 7   3  2  o 269.5342 5.251309 3560.688       138.5440 3525.052       194.8282 3597.142       197.0523 267.8846 7.437352 270.6109 7.446345 -2.726257      10.52436 
1 1 1 7   3  3  f 351.7292 6.693613 6068.300       230.4492 6454.806       339.9371 5739.623       313.4772 362.2043 9.596693 341.5748 9.384815 20.62949       13.42279 
1 1 1 7   3  4  o 313.9980 6.030022 4833.623       185.3327 4678.060       256.7297 5002.917       267.8219 308.5266 8.509269 319.0556 8.583576 -10.52899      12.08658 
1 1 1 7   3  5  o 399.3367 7.540548 7823.512       294.7463 8146.295       428.8752 7534.595       405.7535 406.8401 10.77913 391.2921 10.60365 15.54800       15.12042 
1 1 1 7   3  6  o 304.3805 5.863486 4540.135       174.6944 4503.259       246.1684 4577.548       247.9516 302.8321 8.312567 305.3226 8.304341 -2.490479      11.74993 
1 1 1 7   3  7  o 416.5015 7.849837 8507.031       320.0246 8938.882       468.6029 8129.570       438.1015 426.3492 11.23860 406.6153 11.01756 19.73389       15.73825 
1 1 1 7   3  8  o 182.6842 4.413176 1634.249       78.91479 1625.000       135.4941 1638.997       97.07973 181.9078 7.626540 182.8430 5.430321 -0.9352570     9.362291 
1 1 1 7   3  9  o 649.7004 13.95035 20760.88       887.1649 20210.00       1506.807 21053.17       1097.569 637.4429 24.19352 653.2072 17.18114 -15.76422      29.67353 
1 1 1 7   3  10 o 487.8175 9.130896 11669.60       435.9904 11611.95       614.4517 11728.06       618.7379 485.9556 12.92918 488.3764 12.95476 -2.420807      18.30272 
1 1 1 7   3  11 o 383.1804 7.262517 7194.927       272.3935 7365.350       391.7204 7035.361       379.0377 387.3062 10.34200 378.5365 10.23923 8.769684       14.55331 
1 1 1 7   3  12 o 115.8605 3.030839 657.5681       34.34245 636.9787       48.39671 678.4508       48.74023 113.9750 4.346068 117.6372 4.239821 -3.662209      6.071605 
1 1 1 7   3  13 o 189.0952 4.635818 1750.946       85.80509 1760.342       105.9107 1733.000       146.3745 189.4891 5.716711 187.8552 7.978590 1.633911       9.815228 
1 1 1 7   3  14 f 327.9979 8.966356 5280.313       287.5979 5280.313       287.5979 0.000000       0.000000 327.9979 8.966356 ?        ?        ?              ?        
1 1 1 7   3  15 o 677.4359 14.57390 22593.90       966.3849 23255.39       1208.366 21420.00       1609.732 685.9818 18.01173 655.3254 25.14181 30.65631       30.92787 
1 1 1 7   3  16 o 103.8721 3.596636 528.8877       36.51284 512.1177       44.46653 563.6000       63.97459 102.1655 4.457273 107.0762 6.129524 -4.910713      7.578810 
1 1 1 7   3  17 o 348.8552 6.681302 5965.213       228.1458 6231.000       468.0529 5882.384       261.2879 355.4657 13.47653 346.3379 7.707492 9.127777       15.52490 
1 1 1 7   3  18 o 518.8630 9.718864 13225.01       493.5992 12760.00       960.9231 13391.69       575.2994 506.5009 19.41813 521.7903 11.26398 -15.28934      22.44863 
1 1 1 7   3  19 o 375.6748 7.161302 6923.099       263.3361 7040.000       531.2513 6885.019       303.2081 377.2448 14.41353 374.4964 8.271552 2.748413       16.61831 
1 1 1 7   3  20 o 171.1436 4.434682 1435.902       74.22724 0.000000       0.000000 1435.902       74.22724 ?        ?        171.1436 4.434682 ?              ?        
1 1 1 7   3  21 o 181.7409 4.578383 1619.533       81.38139 1619.000       139.7411 1619.806       100.1097 181.3796 7.889864 181.6693 5.636563 -0.2896881     9.696432 
1 1 1 7   3  22 o 258.2621 7.319046 3278.568       184.8346 0.000000       0.000000 3278.568       184.8346 ?        ?        258.2621 7.319046 ?              ?        
1 1 1 7   3  23 o 94.65223 3.560144 439.4897       32.92531 451.4104       40.28357 415.5000       57.14633 95.87856 4.303368 91.78275 6.401055 4.095818       7.713137 
1 1 1 7   3  24 o 217.7234 4.501021 2323.721       95.92294 2350.431       135.8256 2297.144       135.4861 218.7061 6.351479 216.2026 6.409251 2.503448       9.023292 
1 1 1 7   3  25 o 110.7057 4.475630 601.8401       48.39875 537.3000       64.58636 684.5000       73.09252 104.4033 6.350079 117.8853 6.357952 -13.48199      8.985936 
1 1 1 7   3  26 o 129.9673 4.868052 829.6943       61.81976 818.4000       84.96381 842.4000       90.11619 128.8615 6.759676 130.7000 7.070347 -1.838516      9.781771 
1 1 1 7   3  27 o 207.1055 6.233910 2109.331       126.2303 2013.000       172.2778 2221.000       185.4865 201.8472 8.740389 211.9875 8.959340 -10.14032      12.51656 
1 1 1 7   3  28 o 281.0563 5.560180 3878.819       152.9637 3842.681       214.2655 3916.379       218.4416 279.1789 7.848647 281.8249 7.926500 -2.645996      11.15485 
1 1 1 7   3  29 o 326.8941 7.338978 5262.604       234.8275 5282.080       288.0346 5224.000       405.5225 326.8624 9.011315 323.3886 12.83653 3.473785       15.68376 
1 1 1 7   3  30 o 115.2971 3.370177 652.1103       37.99364 643.5959       51.12056 662.6168       56.78734 114.4293 4.573282 116.0613 5.010511 -1.632080      6.783814 
1 1 1 7   3  31 o 189.5845 4.750217 1765.768       88.08061 1749.944       107.0157 1799.000       155.0849 188.5560 5.805221 190.6152 8.332130 -2.059296      10.15505 
1 1 1 7   3  32 o 170.7820 4.452323 1432.988       74.36430 1432.000       90.80271 1435.000       129.5901 170.5598 5.445941 170.2247 7.798267 0.3350372      9.511638 
1 1 1 7   3  33 o 152.4611 3.642993 1140.428       54.36553 1151.906       76.63303 1128.799       77.13840 152.9570 5.125713 151.3978 5.213065 1.559204       7.310881 
1 1 1 7   3  34 f 220.4803 5.325927 2394.079       114.9400 2452.326       142.3582 2285.000       194.8121 222.7009 6.537694 213.8298 9.330135 8.871078       11.39267 
1 1 1 7   3  35 o 183.0526 4.710987 1650.497       84.33988 1689.036       104.1302 1577.000       143.8010 184.8871 5.760950 177.7386 8.288419 7.148560       10.09388 
1 1 1 7   3  36 o 217.8603 4.580958 2338.115       97.68788 2363.482       138.5173 2313.015       137.7887 218.2322 6.491752 215.8708 6.528489 2.361389       9.206738 
1 1 1 7   3  37 o 79.26384 3.384582 309.3400       26.19905 307.8371       35.87113 311.0582       38.35562 78.85818 4.668093 79.21112 4.972019 -0.3529358     6.819976 
1 1 1 7   3  38 o 60.64625 4.222258 182.2291       24.90773 180.1000       38.07936 183.8212       32.92898 59.76227 6.620544 60.63147 5.612157 -0.8692017     8.679166 
1 1 1 7   3  39 o 29.91088 7.026552 46.59627       20.22023 45.75000       30.26198 47.27882       27.17750 29.92588 9.327415 30.15453 8.717162 -0.2286530     12.76674 
1 1 1 7   3  40 o 66.22184 3.737788 216.9832       24.12990 250.2016       33.92078 182.9532       34.33261 70.85484 4.921503 60.28420 5.893509 10.57064       7.678193 
1 1 1 7   3  41 o 126.3967 4.217464 791.4196       52.10564 947.4000       99.66342 732.7471       61.12489 136.5827 7.483357 121.2514 5.162023 15.33125       9.091045 
1 1 1 7   3  42 o 40.58055 6.964284 85.37883       26.66728 42.60000       55.12667 98.44775       30.46963 32.05935 12.38351 43.49474 7.423079 -11.43539      14.43792 
1 1 1 7   3  43 o 87.85696 3.557547 381.8921       30.53050 380.6617       42.83111 383.1630       43.53069 87.24519 5.036881 87.50719 5.104288 -0.2620010     7.171048 
1 1 1 7   3  44 o 17.62903 7.090798 8.173116       18.74027 23.65969       25.85348 -8.973079      27.20352 23.34973 8.596516 17.44292 7.794724 5.906813       11.60421 
1 1 1 7   3  45 o 24.16713 7.573216 30.08986       19.92163 29.82330       27.38397 30.38954       29.03538 25.05266 8.897873 25.44733 9.148136 -0.3946724     12.76168 
1 1 1 7   3  46 o 57.35407 4.227480 164.8447       23.56618 172.9774       32.74358 156.1047       33.94405 58.16294 5.829910 54.97333 6.429501 3.189610       8.679074 
1 1 1 7   3  47 o 79.28271 3.676838 313.2690       28.45607 350.8983       40.16872 275.3601       40.31760 83.32331 4.947375 73.41892 5.653742 9.904388       7.512744 
1 1 1 7   3  48 o 68.24080 4.131134 233.7514       27.46506 231.5138       34.37760 237.7000       45.66603 67.39881 5.252395 67.26451 7.040021 0.1343002      8.783482 
1 1 1 7   3  49 o 18.83039 7.199149 14.09702       18.49877 26.68970       24.66869 -2.082576      27.96218 23.43320 8.431197 18.39723 8.076571 5.035969       11.67545 
1 1 1 7   3  50 o 17.99871 7.467216 7.029902       21.59043 13.81546       24.09705 -20.59000      48.61633 20.17664 8.066204 21.62477 9.956021 -1.448124      12.81351 
1 1 1 7   3  51 o 68.35284 3.792352 234.4813       25.27352 264.2211       34.69080 200.8416       36.89528 71.95238 4.955915 61.99107 6.161941 9.961308       7.907630 
1 1 1 7   3  52 o 15.62189 6.576921 3.566572       17.12004 -6.664926      22.83211 16.70718       25.87523 15.82658 7.101533 21.08898 8.382402 -5.262401      10.98619 
1 1 1 7   3  53 o 38.61615 5.249009 77.69236       19.32733 87.97911       26.91102 66.73415       27.77543 40.20115 7.098350 34.26846 8.356790 5.932682       10.96460 
1 1 1 7   3  54 o 23.30715 7.484718 29.42074       19.35644 19.50000       29.60552 36.82789       25.58153 22.26127 8.926745 25.80576 8.623139 -3.544495      12.41150 
1 1 1 7   3  55 o 47.22830 4.939425 115.3161       22.49688 137.6000       34.96930 99.58088       29.38513 50.13268 7.343967 42.54698 7.319828 7.585697       10.36888 
1 1 1 7   3  56 o 20.37726 7.920413 17.61039       22.65764 8.838000       46.15081 20.39628       26.00772 23.61007 10.37020 21.67517 8.468375 1.934900       13.38859 
1 1 1 7   3  57 o 18.79779 7.071631 15.74938       17.67709 -5.749075      23.77922 42.30502       26.42849 16.14698 7.246152 27.18609 8.747252 -11.03911      11.35875 
1 1 1 7   3  58 o 44.48549 4.828026 102.4646       20.68627 104.2040       28.12659 100.4152       30.53067 43.75962 6.786177 42.39628 7.637914 1.363335       10.21714 
1 1 1 7   3  59 o 20.70488 7.558241 21.13331       19.91919 25.93769       24.81027 12.42000       33.41214 22.68201 8.408624 21.53465 9.132985 1.147364       12.41436 
1 1 1 7   3  60 o 30.32677 7.207955 51.91847       21.07995 54.38645       26.84611 47.95000       34.04254 30.33867 8.630455 28.37682 9.934433 1.961853       13.15970 
1 1 1 7   3  61 o 39.98232 6.672051 88.18570       25.19203 78.51656       28.75615 120.1000       52.24315 36.63695 8.221245 41.63292 12.10109 -4.995975      14.62960 
1 1 1 7   4  0  o 60.11096 2.863730 177.3146       16.80124 137.6000       27.83090 200.0877       21.07480 52.70220 5.474689 63.83213 3.385115 -11.12993      6.436710 
1 1 1 7   4  1  o 534.1791 9.985661 14033.80       522.1194 14487.00       755.5993 13619.66       722.3025 541.1762 14.27664 524.7933 14.07398 16.38287       20.04743 
1 1 1 7   4  2  o 312.5185 8.509768 4800.037       260.0730 5126.000       384.4476 4525.000       353.1410 322.2607 12.20984 302.8095 11.93780 19.45117       17.07604 
1 1 1 7   4  3  o 217.8082 4.380428 2323.822       93.38928 2352.604       133.2190 2296.010       130.9549 218.9682 6.221850 216.3190 6.191100 2.649200       8.777308 
1 1 1 7   4  4  o 160.6951 3.478667 1264.444       54.71692 1324.058       79.63564 1211.132       75.30836 164.3226 4.956792 157.1560 4.901596 7.166672       6.971042 
1 1 1 7   4  5  o 200.0096 4.744586 1959.495       92.88710 2358.000       181.6273 1818.352       108.0921 219.0413 8.487339 192.5488 5.741591 26.49254       10.24699 
1 1 1 7   4  6  o 403.8094 8.799441 8000.959       347.8065 7465.000       573.5837 8312.621       437.3939 388.7973 15.10059 411.1793 10.87719 -22.38202      18.61024 
1 1 1 7   4  7  o 549.4752 11.83338 14837.11       636.4482 14370.00       1076.885 15087.85       788.9867 538.1942 20.47940 553.3255 14.58013 -15.13129      25.13933 
1 1 1 7   4  8  o 341.2946 7.513672 5709.186       251.0082 5464.000       421.4448 5843.973       312.4757 333.1554 12.94838 345.0449 9.260345 -11.88953      15.91900 
1 1 1 7   4  9  o 225.1035 4.529170 2481.173       99.79462 2455.426       140.4995 2507.389       141.7710 223.7845 6.420778 226.1425 6.411170 -2.358063      9.073561 
1 1 1 7   4  10 o 649.9267 12.07237 20744.49       768.0034 20850.75       1090.231 20639.82       1082.057 650.2310 17.14445 646.9436 17.10246 3.287415       24.21624 
1 1 1 7   4  11 o 232.1199 4.665788 2638.321       106.0092 2639.091       150.2542 2637.558       149.5874 231.9980 6.623395 231.9324 6.595818 0.6562805E-01  9.347416 
1 1 1 7   4  12 o 527.5333 11.38773 13663.74       588.0213 13885.53       728.7800 13250.00       995.3865 531.1749 14.02920 517.4761 19.68739 13.69885       24.17461 
1 1 1 7   4  13 o 641.4857 13.79295 20238.15       866.0648 20621.73       1075.340 19530.00       1461.098 646.4991 17.00784 626.6948 23.86223 19.80426       29.30311 
1 1 1 7   4  14 o 374.8561 7.137368 6886.574       261.8840 7090.554       378.2202 6698.711       362.9701 379.9622 10.17863 369.3228 10.04991 10.63934       14.30403 
1 1 1 7   4  15 o 233.5289 4.737487 2670.783       108.2916 2869.086       160.3242 2504.399       146.8556 241.8669 6.778677 225.9697 6.646707 15.89722       9.493639 
1 1 1 7   4  16 o 236.8362 6.734149 2751.313       155.9538 2699.000       216.2552 2808.000       225.1153 234.3181 9.448134 238.9887 9.643046 -4.670547      13.50021 
1 1 1 7   4  17 o 434.9280 9.485702 9287.688       403.8249 9920.000       730.7856 9009.731       484.5202 447.6797 16.70625 427.8798 11.57933 19.79990       20.32681 
1 1 1 7   4  18 o 197.3783 4.178644 1908.041       80.73114 1879.000       156.6802 1918.538       94.19833 195.4991 8.205972 197.8953 4.862969 -2.396179      9.538682 
1 1 1 7   4  19 o 85.59884 3.157666 359.2562       26.41164 344.6000       46.10084 366.4171       32.22432 83.65775 5.663224 86.41294 3.819204 -2.755188      6.830698 
1 1 1 7   4  20 f 125.4104 4.516608 771.5723       55.35314 709.0000       73.32024 854.5000       84.40782 120.0732 6.259993 131.8215 6.562327 -11.74826      9.069269 
1 1 1 7   4  21 o 234.2480 6.776621 2695.257       155.2168 0.000000       0.000000 2695.257       155.2168 ?        ?        234.2480 6.776621 ?              ?        
1 1 1 7   4  22 f 184.8553 4.636364 1675.903       83.82486 1763.000       147.5001 1634.355       101.8752 189.2192 7.981739 182.4487 5.711587 6.770508       9.814804 
1 1 1 7   4  23 o 223.7568 4.592371 2454.189       100.5818 2449.227       140.7386 2459.369       143.7992 223.2692 6.446638 223.7140 6.573980 -0.4447937     9.207407 
1 1 1 7   4  24 o 209.7515 5.040525 2157.671       103.4873 2156.052       126.1675 2161.000       180.9142 209.4763 6.159970 209.2795 8.851598 0.1967773      10.78406 
1 1 1 7   4  25 o 208.5178 4.363807 2131.561       89.06659 2060.139       122.4516 2211.794       129.7866 204.7373 6.117144 212.1253 6.257576 -7.388000      8.750812 
1 1 1 7   4  26 o 276.6962 5.474900 3757.770       148.2810 3724.219       207.6463 3792.683       211.8180 274.9617 7.722824 277.4599 7.807076 -2.498169      10.98146 
1 1 1 7   4  27 o 264.0777 5.276505 3422.769       136.3906 3481.343       193.9434 3365.456       191.8445 265.8473 7.460470 261.3712 7.506466 4.476105       10.58327 
1 1 1 7   4  28 o 276.5938 5.486598 3756.458       148.5428 3661.018       205.7673 3860.324       214.6572 272.5153 7.721781 279.8082 7.845264 -7.292938      11.00791 
1 1 1 7   4  29 o 194.3027 4.218276 1851.618       80.22689 1852.810       112.6854 1850.394       114.2466 194.0745 5.938878 193.9333 6.025762 0.1412048      8.460501 
1 1 1 7   4  30 o 150.3320 4.138871 1109.389       60.84517 1089.823       73.23363 1153.000       109.3321 148.8922 5.032188 152.7769 7.332525 -3.884674      8.893191 
1 1 1 7   4  31 o 125.3848 4.699554 772.9760       57.57560 772.9760       57.57560 0.000000       0.000000 125.3848 4.699554 ?        ?        ?              ?        
1 1 1 7   4  32 o 180.8938 3.998153 1605.737       70.79285 1574.462       98.10387 1639.716       102.2577 178.8076 5.612185 182.4546 5.732899 -3.647003      8.022640 
1 1 1 7   4  33 o 126.2783 3.873047 783.4073       47.81608 772.5302       57.14678 808.8000       87.31539 125.2898 4.667990 127.7650 7.008731 -2.475197      8.420953 
1 1 1 7   4  34 o 54.97244 4.485715 149.5525       23.92733 167.2457       27.85010 99.68000       46.75784 58.08882 4.945071 43.69782 10.95393 14.39100       12.01841 
1 1 1 7   4  35 o 194.2198 4.208643 1854.947       80.00953 1893.785       113.5163 1816.607       112.7883 195.6968 5.932941 191.6348 6.020364 4.062057       8.452490 
1 1 1 7   4  36 o 81.92862 3.361344 330.2549       26.89871 338.7382       36.91993 320.6574       39.26977 82.79174 4.573602 80.46624 5.010706 2.325500       6.784173 
1 1 1 7   4  37 o 120.6013 3.362727 715.4313       39.65752 732.3708       55.47391 697.7253       56.71508 121.7410 4.663905 118.7658 4.889117 2.975189       6.756883 
1 1 1 7   4  38 o 50.16273 4.128870 124.8843       20.09371 125.8952       26.93534 123.6159       30.17308 50.08117 5.589873 49.43371 6.384739 0.6474609      8.485964 
1 1 1 7   4  39 o 112.8472 3.386789 627.4489       37.36743 647.7097       52.56626 606.7518       53.12930 114.3017 4.708462 110.5566 4.921904 3.745041       6.811369 
1 1 1 7   4  40 o 31.27703 6.673758 50.86201       19.80869 53.48000       27.84381 48.17914       28.18677 31.84589 8.691493 30.36782 8.906075 1.478077       12.44429 
1 1 1 7   4  41 o 95.77207 3.412799 452.7919       31.94192 484.9905       45.12183 420.4476       45.22372 98.75448 4.681249 91.81204 5.051699 6.942436       6.887217 
1 1 1 7   4  42 o 50.33711 5.834772 128.5081       28.21684 175.8000       58.10681 113.9150       32.27809 56.90544 10.82747 46.90204 7.265675 10.00340       13.03933 
1 1 1 7   4  43 o 46.60415 6.110243 110.9519       27.20263 95.36000       54.72264 116.0693       31.35052 41.29719 12.48302 47.39925 6.964752 -6.102066      14.29453 
1 1 1 7   4  44 o 62.52178 4.015277 194.6141       24.44281 208.6886       33.95045 179.4680       35.21916 64.30620 5.444825 59.35058 6.151539 4.955616       8.215080 
1 1 1 7   4  45 o 54.13694 4.355395 146.8706       22.88494 161.7187       31.62012 130.5377       33.16339 56.32751 5.818707 50.11709 6.946874 6.210415       9.061810 
1 1 1 7   4  46 o 35.77135 6.027261 66.61337       20.35445 88.59168       27.72236 40.90747       29.98124 40.92565 7.182187 27.97510 9.335011 12.95056       11.77821 
1 1 1 7   4  47 o 19.16297 7.369616 14.08547       19.46268 22.90093       23.93414 -3.123000      33.44002 22.45999 8.270865 19.97436 8.798363 2.485632       12.07553 
1 1 1 7   4  48 o 26.94386 7.204808 39.26472       19.36922 51.09321       26.29165 25.22527       28.64366 30.39641 8.504370 23.80096 8.991255 6.595448       12.37606 
1 1 1 7   4  49 o 54.66164 5.141103 152.8045       27.18416 155.9728       31.23089 142.9000       55.21867 54.86022 5.909029 48.77208 11.71411 6.088139       13.12010 
1 1 1 7   4  50 o 46.24963 4.606828 108.9007       20.57823 148.1863       28.70517 67.36498       29.51578 53.57941 5.553838 34.58691 8.721511 18.99250       10.33972 
1 1 1 7   4  51 o 43.87263 4.837103 98.71140       20.42796 100.8660       27.66705 96.12888       30.28976 43.47883 6.717228 41.92514 7.663300 1.553692       10.19055 
1 1 1 7   4  52 o 51.59770 4.366524 135.2841       21.84638 118.0046       29.32352 156.8387       32.75070 47.11074 6.534742 54.58525 6.241790 -7.474518      9.036747 
1 1 1 7   4  53 o 14.68536 6.563671 -5.187692      19.29882 27.96000       27.36513 -37.98655      27.22076 23.79263 8.828980 13.72682 6.638959 10.06582       11.04657 
1 1 1 7   4  54 o 28.89125 6.485517 45.57074       17.88990 34.87256       24.41659 57.97083       26.28710 25.19125 8.424633 31.80137 8.342560 -6.610123      11.85634 
1 1 1 7   4  55 o 41.16734 4.957683 87.89365       19.57569 85.81083       27.02728 90.19204       28.39148 39.46886 7.263432 40.36810 7.460007 -0.8992386     10.41197 
1 1 1 7   4  56 o 27.04010 7.263827 40.90980       19.63238 60.29000       29.09966 24.71917       26.59749 32.05172 8.939506 22.75311 8.648355 9.298611       12.43820 
1 1 1 7   4  57 o 37.58845 7.010929 77.76070       24.84641 104.1000       49.45258 68.86655       28.73685 39.89432 11.82220 34.43999 8.561314 5.454327       14.59659 
1 1 1 7   4  58 o 53.27814 6.268317 151.6626       32.06458 179.1000       52.46103 135.3000       40.51267 54.50459 10.20831 48.34707 8.888235 6.157516       13.53552 
1 1 1 7   4  59 o 33.78107 6.647603 62.67383       21.19772 83.10031       27.04240 30.12000       34.13890 38.54125 7.437687 24.78246 9.696469 13.75879       12.22050 
1 1 1 7   4  60 o 20.57034 7.942733 19.10175       22.67238 17.86494       25.74857 23.37000       47.83295 20.87591 8.340630 25.30976 10.83659 -4.433847      13.67471 
1 1 1 7   4  61 o 36.78048 5.791253 72.88851       20.16085 80.33754       28.48602 65.41251       28.53754 37.16174 8.063407 33.01415 8.707484 4.147587       11.86755 
1 1 1 7   5  0  o 275.2004 5.354965 3711.193       144.2487 3801.519       207.4791 3626.683       200.6873 278.2484 7.625092 271.7784 7.551268 6.470032       10.73143 
1 1 1 7   5  1  o 389.6056 8.529673 7451.890       325.2848 7067.000       540.8723 7669.984       407.1443 378.0026 14.64591 394.8060 10.54502 -16.80341      18.04716 
1 1 1 7   5  2  o 242.9098 4.803953 2890.510       114.2221 2956.569       164.0542 2828.360       159.1272 245.4572 6.834841 240.0773 6.778320 5.379868       9.626041 
1 1 1 7   5  3  o 206.5911 4.858425 2090.705       98.24567 2002.015       117.3962 2298.000       179.4778 202.0294 5.942996 216.2243 8.496623 -14.19493      10.36879 
1 1 1 7   5  4  o 241.7864 4.787911 2863.466       113.3142 2904.127       161.9816 2824.498       158.5736 243.3015 6.808349 239.9444 6.758446 3.357132       9.593238 
1 1 1 7   5  5  o 238.1683 5.449355 2778.801       127.0385 2829.000       222.3637 2754.478       154.7862 239.8923 9.488531 236.9733 6.679751 2.918976       11.60394 
1 1 1 7   5  6  o 219.9484 5.103613 2369.441       109.8765 2626.000       202.6767 2262.652       130.7592 231.1952 8.973133 214.8055 6.225572 16.38972       10.92130 
1 1 1 7   5  7  o 312.0650 6.921132 4772.122       211.4114 4460.000       349.4467 4952.315       265.5143 301.0882 11.88049 317.6834 8.546372 -16.59521      14.63511 
1 1 1 7   5  8  o 605.4916 11.26519 17998.83       667.6559 18008.31       945.3113 17989.40       943.1087 604.4912 15.99043 604.1812 15.96132 0.3100586      22.59331 
1 1 1 7   5  9  o 487.4122 9.123153 11650.12       435.2588 11664.99       616.6467 11635.35       614.4570 487.0647 12.94579 486.4504 12.91609 0.6143494      18.28713 
1 1 1 7   5  10 o 381.3581 8.346531 7129.607       311.5625 7203.385       384.7143 6989.000       531.1049 383.0258 10.27061 376.6838 14.43116 6.342010       17.71281 
1 1 1 7   5  11 o 194.8648 4.690220 1859.419       89.46081 1852.486       109.9506 1873.000       153.8816 194.3880 5.785028 195.3063 8.066778 -0.9183197     9.926704 
1 1 1 7   5  12 o 145.4976 3.913885 1037.219       55.68977 1111.232       71.65285 924.3000       88.50417 150.5591 4.868459 137.1911 6.610151 13.36804       8.209506 
1 1 1 7   5  13 o 466.4632 8.759572 10670.64       399.9507 10497.96       559.3646 10851.27       572.0811 462.0439 12.37933 469.7468 12.45291 -7.702911      17.55912 
1 1 1 7   5  14 f 485.5753 9.108314 11566.35       432.9131 11654.98       616.1797 11479.96       608.3585 486.6880 12.94602 483.0307 12.87853 3.657257       18.26078 
1 1 1 7   5  15 o 152.7080 3.504922 1141.721       52.38976 1268.000       106.9107 1101.814       60.10039 160.7058 6.811922 149.9494 4.098584 10.75641       7.949884 
1 1 1 7   5  16 o 250.2648 4.994708 3067.865       122.3534 3155.000       246.3637 3039.337       140.9669 253.2880 9.956408 249.0633 5.782310 4.224701       11.51369 
1 1 1 7   5  17 o 171.3209 4.390831 1438.472       73.57076 1500.000       126.0688 1406.696       90.59787 174.7311 7.387754 169.3511 5.472609 5.379990       9.193931 
1 1 1 7   5  18 o 685.6587 14.79037 23227.77       992.6436 23850.00       1750.854 22933.03       1205.025 687.5410 26.06347 679.4529 18.13506 8.088013       31.75193 
1 1 1 7   5  19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   5  20 o 299.0101 5.834272 4384.089       170.7571 4581.000       349.0863 4322.155       195.7781 304.5458 11.73241 296.7957 6.739074 7.750122       13.53013 
1 1 1 7   5  21 o 75.16759 3.211720 277.2130       23.57612 281.2000       40.85797 275.2228       28.86663 75.52184 5.566221 74.84875 3.954109 0.6730881      6.827723 
1 1 1 7   5  22 o 170.1829 4.407337 1420.339       73.35551 1356.000       121.6323 1457.117       91.96206 165.9562 7.507154 172.2808 5.460272 -6.324646      9.282884 
1 1 1 7   5  23 o 72.20258 3.957966 256.2112       27.86549 251.7000       44.87812 259.0416       35.54825 71.30627 6.501276 72.50815 5.040075 -1.201874      8.226113 
1 1 1 7   5  24 o 129.6189 3.345897 823.5933       42.41544 876.5558       59.72469 769.6991       60.24770 133.6334 4.572704 125.1823 4.926521 8.451118       6.721624 
1 1 1 7   5  25 o 204.0273 4.295549 2040.729       85.78539 2019.802       119.3484 2063.098       123.3903 202.7253 6.021209 204.8687 6.160173 -2.143311      8.614099 
1 1 1 7   5  26 o 71.95701 3.389774 254.2557       23.80826 229.2247       30.57816 292.7912       37.94046 68.21188 4.606806 77.08555 5.056239 -8.873665      6.840191 
1 1 1 7   5  27 o 324.9506 6.302964 5189.266       200.4787 5143.557       280.9310 5236.700       286.1814 322.7355 8.901469 325.6185 8.987557 -2.883026      12.64960 
1 1 1 7   5  28 o 127.2944 3.400826 794.6254       42.33609 745.5612       56.89807 855.4816       63.36764 123.1818 4.727718 131.9427 4.915140 -8.760834      6.819818 
1 1 1 7   5  29 o 191.4026 4.778757 1797.975       89.53008 1763.111       107.9066 1875.000       160.3878 189.3205 5.829911 194.7087 8.435513 -5.388153      10.25406 
1 1 1 7   5  30 o 194.8387 4.829536 1863.727       92.10579 1892.901       113.0078 1806.000       158.9659 196.1212 5.893466 190.9846 8.525023 5.136627       10.36383 
1 1 1 7   5  31 o 55.71478 3.899383 153.0107       21.13109 137.8795       26.84983 177.6341       34.25145 52.70676 5.275192 59.79803 5.929773 -7.091263      7.936615 
1 1 1 7   5  32 o 375.3820 10.29990 7027.015       378.0960 7027.015       378.0960 0.000000       0.000000 375.3820 10.29990 ?        ?        ?              ?        
1 1 1 7   5  33 o 93.63552 3.715947 430.9515       33.99015 420.7037       39.87275 458.2000       65.01769 92.43079 4.419911 96.05086 6.962779 -3.620064      8.247176 
1 1 1 7   5  34 o 83.91192 3.270594 346.0020       26.81168 334.7708       35.70866 360.5168       40.59434 82.39470 4.444043 85.45001 4.873621 -3.055313      6.595582 
1 1 1 7   5  35 o 161.5328 3.762330 1282.105       59.48726 1297.172       83.27425 1266.404       85.00791 162.0907 5.255582 160.1071 5.432152 1.983627       7.558401 
1 1 1 7   5  36 o 83.63814 3.298562 344.1391       26.95148 365.9444       36.84527 319.0453       39.52609 86.08370 4.387218 80.24104 5.058208 5.842659       6.695755 
1 1 1 7   5  37 o 33.51094 5.746039 57.18020       18.16975 58.39291       23.68811 55.44693       28.31950 33.55139 7.410988 32.60762 8.708470 0.9437752      11.43504 
1 1 1 7   5  38 o 98.01279 3.306983 472.9965       31.68097 475.9626       43.80391 469.7432       45.87514 98.05180 4.576685 97.34463 4.829671 0.7071686      6.653703 
1 1 1 7   5  39 o 89.73711 3.353387 397.0017       29.40339 412.6814       40.63523 379.7695       42.59963 91.21427 4.565798 87.37482 5.001863 3.839455       6.772381 
1 1 1 7   5  40 o 105.7942 3.401209 552.0355       35.17521 556.4917       48.82266 547.2258       50.72223 105.8429 4.724429 104.8791 4.954878 0.9638443      6.846243 
1 1 1 7   5  41 o 37.62124 5.894528 72.40280       20.99407 71.43000       29.72870 73.37057       29.65164 36.67997 8.453698 37.20796 8.347445 -0.5279922     11.88044 
1 1 1 7   5  42 o 71.70775 4.015522 255.2943       28.07218 267.7000       42.52370 245.7118       37.37323 72.80110 6.021224 69.90747 5.506156 2.893631       8.159222 
1 1 1 7   5  43 f 47.90713 5.566401 116.4078       25.61698 122.3322       28.48914 91.39000       58.54367 48.96778 6.073917 40.49998 13.01779 8.467804       14.36508 
1 1 1 7   5  44 o 14.86858 6.909103 -19.59844      24.22523 -36.08000      55.22968 -15.67209      26.95679 22.55981 10.46557 16.41443 7.503638 6.145382       12.87761 
1 1 1 7   5  45 o 20.74567 7.373318 19.75042       18.80696 18.27377       25.15438 21.62216       28.32030 21.79520 8.379152 23.26009 8.903867 -1.464891      12.22657 
1 1 1 7   5  46 o 42.90105 5.443532 94.31481       22.34496 68.47424       27.51183 144.4000       38.30215 35.52480 8.093191 52.18963 7.731275 -16.66483      11.19251 
1 1 1 7   5  47 o 55.52516 4.290042 155.1926       23.13549 162.1965       30.88211 146.2337       34.92705 56.19415 5.692940 52.73974 6.933551 3.454403       8.971271 
1 1 1 7   5  48 o 41.55511 6.298131 90.61062       24.81588 91.61772       27.66970 86.47000       56.10488 41.44273 7.074782 37.85717 12.77151 3.585552       14.60014 
1 1 1 7   5  49 o 81.05807 3.615206 328.1164       28.61155 344.9151       39.88214 310.3024       41.06966 82.39011 4.968440 77.85881 5.422883 4.531296       7.354798 
1 1 1 7   5  50 o 55.65007 4.139176 156.2026       22.38539 141.0130       30.15403 174.8511       33.41142 52.00096 6.036194 58.00200 5.970161 -6.001034      8.489903 
1 1 1 7   5  51 o 77.11053 3.618170 297.6587       27.23304 320.5013       38.06965 273.7193       38.97291 79.27395 4.930573 72.87640 5.504174 6.397545       7.389620 
1 1 1 7   5  52 o 70.08201 3.739307 246.6221       25.55812 243.0874       35.36805 250.4852       36.97472 68.71072 5.299651 69.64398 5.467757 -0.9332657     7.614635 
1 1 1 7   5  53 o 44.12201 4.776793 100.2058       20.30131 74.63739       27.39145 131.3693       30.24026 36.48888 7.898619 49.70895 6.360596 -13.22006      10.14127 
1 1 1 7   5  54 o 61.39557 3.939224 190.6577       23.54813 189.2576       31.88771 192.3370       34.92306 60.28421 5.463233 60.42075 5.983500 -0.1365395     8.102419 
1 1 1 7   5  55 o 12.83381 5.915022 -10.87268      17.22552 -6.095026      22.96287 -17.02088      26.04908 15.85311 7.116966 15.42877 7.167727 0.4243336      10.10087 
1 1 1 7   5  56 o 17.19117 6.857398 10.12616       17.37695 25.82630       23.48179 -8.879876      25.83600 22.58009 8.211862 16.38893 7.435063 6.191160       11.07767 
1 1 1 7   5  57 o 21.86788 7.878468 24.23225       21.54867 -2.546000      28.70816 58.79000       32.61272 18.15526 8.066788 31.31691 9.670151 -13.16165      12.59305 
1 1 1 7   5  58 o 32.08050 7.680036 58.44787       23.79581 51.08000       32.19434 67.32000       35.32829 29.32316 9.669716 33.13964 10.03263 -3.816481      13.93403 
1 1 1 7   5  59 o 33.06533 9.901564 66.94855       34.54804 65.02000       48.17817 68.99000       49.56808 32.03611 11.74508 32.73547 11.92714 -0.6993599     16.73928 
1 1 1 7   5  60 o 20.31813 7.913525 18.12742       22.65444 18.96293       25.69444 15.21000       48.01345 21.08557 8.362082 24.28309 10.62399 -3.197521      13.52012 
1 1 1 7   5  61 o 17.77878 7.047769 12.25626       18.24503 48.00486       25.76758 -23.68606      25.83731 28.37048 8.563798 14.38284 6.822834 13.98764       10.94942 
1 1 1 7   6  0  o 264.3910 5.171666 3424.381       133.8392 3550.967       194.0693 3309.568       184.8234 269.0007 7.377471 259.6987 7.277956 9.301971       10.36319 
1 1 1 7   6  1  o 346.2011 9.349344 5888.023       316.5323 6012.000       454.2452 5771.000       441.3231 349.1587 13.31551 342.1003 13.20423 7.058380       18.75246 
1 1 1 7   6  2  o 199.7986 4.099816 1954.819       80.17945 2064.523       117.3647 1858.810       109.7951 205.1854 5.849628 194.6915 5.767784 10.49393       8.214954 
1 1 1 7   6  3  o 319.3292 6.129875 4996.566       191.6004 4962.541       269.8900 5031.139       272.0508 317.9319 8.680666 320.1223 8.690199 -2.190399      12.28306 
1 1 1 7   6  4  o 270.0567 7.462677 3577.944       197.0786 3288.000       263.5089 3946.000       296.8898 258.5698 10.43287 283.2645 10.72710 -24.69473      14.96381 
1 1 1 7   6  5  o 534.6328 11.53725 14040.40       603.7595 12980.00       987.4621 14673.49       762.9949 511.8764 19.74533 545.8361 14.29312 -33.95963      24.37563 
1 1 1 7   6  6  o 401.6723 8.750065 7911.784       344.0245 7824.000       590.8765 7956.802       423.1408 398.3679 15.18105 402.4698 10.75064 -4.101929      18.60216 
1 1 1 7   6  7  f 321.8738 6.174144 5075.169       194.5220 5042.382       274.1328 5108.421       276.0686 320.5645 8.744708 322.6579 8.749224 -2.093445      12.37008 
1 1 1 7   6  8  o 433.4650 8.150654 9210.283       345.8221 9152.678       487.1233 9268.815       491.0326 431.6112 11.54064 434.3400 11.56007 -2.728790      16.33467 
1 1 1 7   6  9  o 254.8937 5.818892 3182.341       145.1796 3340.182       184.2683 2924.000       235.7422 260.9819 7.220238 243.9426 9.893394 17.03926       12.24790 
1 1 1 7   6  10 o 448.2157 9.725447 9854.978       426.6805 10050.85       530.2031 9495.000       718.7834 452.2194 11.98864 438.6401 16.77198 13.57932       20.61618 
1 1 1 7   6  11 o 336.1541 7.433871 5538.083       244.6018 5555.032       300.8028 5505.000       420.2524 336.4245 9.143045 334.4400 12.86163 1.984528       15.78027 
1 1 1 7   6  12 o 153.2645 3.523353 1150.007       52.85718 1082.442       73.81426 1221.115       75.72504 148.5813 5.082881 157.8316 4.907578 -9.250336      7.065409 
1 1 1 7   6  13 o 547.8180 10.22686 14729.80       548.3840 14676.85       773.5778 14783.28       777.5012 545.8552 14.49121 547.8270 14.51223 -1.971802      20.50853 
1 1 1 7   6  14 o 155.6681 3.538462 1186.410       53.91635 1245.000       106.8482 1166.395       62.45023 159.2373 6.871312 154.2836 4.139048 4.953613       8.021636 
1 1 1 7   6  15 o 325.0046 6.256732 5176.013       199.0414 5138.000       393.6828 5189.067       230.6991 322.9750 12.47639 325.3454 7.244277 -2.370331      14.42705 
1 1 1 7   6  16 o 48.13179 3.719303 114.1136       17.38681 115.4000       27.81842 113.2889       22.27318 48.15231 6.034274 47.85062 4.821070 0.3016968      7.723677 
1 1 1 7   6  17 o 61.24026 3.921588 184.4159       23.38390 212.7000       33.44657 157.3713       32.70553 65.67865 5.246189 56.34383 6.023530 9.334816       7.987829 
1 1 1 7   6  18 o 134.4186 4.905684 886.4537       64.43710 0.000000       0.000000 886.4537       64.43710 ?        ?        134.4186 4.905684 ?              ?        
1 1 1 7   6  19 o 286.3709 6.483765 4022.479       181.7450 4132.000       317.0684 3968.886       221.7991 289.3952 11.21445 284.1844 7.981485 5.210754       13.76474 
1 1 1 7   6  20 o 340.9722 7.575453 5709.550       252.8330 6156.000       458.5560 5514.542       303.0618 352.5530 13.31198 334.6902 9.259757 17.86282       16.21579 
1 1 1 7   6  21 o 284.6649 5.597341 3974.263       155.9631 4414.000       331.3211 3849.084       176.7734 298.8167 11.34823 280.0497 6.448750 18.76703       13.05253 
1 1 1 7   6  22 o 52.44603 3.568059 135.3641       18.20778 115.2762       22.38419 174.6470       31.30233 48.25467 4.802799 59.42577 5.441748 -11.17110      7.258065 
1 1 1 7   6  23 o 81.48594 3.796781 326.0446       30.20014 292.5000       47.13566 349.4039       39.33407 76.93002 6.315160 84.28214 4.787590 -7.352119      7.924788 
1 1 1 7   6  24 o 143.2141 4.925034 1007.113       68.93732 1108.000       99.90029 915.4000       95.25005 150.0054 6.821689 136.2709 7.166133 13.73444       9.893882 
1 1 1 7   6  25 o 202.3545 4.977274 2008.708       98.58498 1945.000       164.4897 2044.420       123.1549 198.5013 8.485395 203.9245 6.176992 -5.423203      10.49558 
1 1 1 7   6  26 o 201.1724 4.266273 1984.292       84.00853 2013.589       118.1354 1954.321       119.4882 202.3884 5.969847 199.3608 6.130489 3.027542       8.556984 
1 1 1 7   6  27 o 205.2338 4.337561 2065.597       87.13662 2069.060       121.7971 2061.967       124.7142 205.1196 6.072982 204.7417 6.230303 0.3778992      8.700447 
1 1 1 7   6  28 o 151.8948 4.158578 1132.265       61.77108 1052.522       72.24653 1349.000       119.1063 146.3476 5.050992 165.3448 7.377907 -18.99727      8.941256 
1 1 1 7   6  29 o 305.6601 6.913237 4600.245       206.8361 4469.109       247.8600 4901.000       375.3651 300.7166 8.428912 313.2455 12.26600 -12.52893      14.88292 
1 1 1 7   6  30 o 59.78084 3.832675 175.9732       22.30881 167.4402       27.98945 190.8362       36.93987 58.18383 4.961875 61.98056 6.170720 -3.796734      7.918207 
1 1 1 7   6  31 o 146.6673 4.078499 1056.360       58.49490 1012.975       68.93010 1168.000       110.5730 143.5111 4.914262 153.6550 7.373361 -10.14388      8.860950 
1 1 1 7   6  32 f 138.9946 4.014873 949.0367       54.56581 970.8705       66.20739 902.8000       96.34647 140.4713 4.822332 134.9792 7.319657 5.492096       8.765402 
1 1 1 7   6  33 o 57.96603 4.874093 166.4146       27.39907 166.4146       27.39907 0.000000       0.000000 57.96603 4.874093 ?        ?        ?              ?        
1 1 1 7   6  34 o 106.3977 3.242786 555.9955       33.73259 562.5017       45.95157 548.3918       49.67598 106.8614 4.402552 105.4416 4.825934 1.419785       6.532389 
1 1 1 7   6  35 o 159.3304 3.743572 1247.591       58.38361 1272.142       81.82147 1222.124       83.33307 160.4962 5.215228 157.2486 5.422189 3.247604       7.523213 
1 1 1 7   6  36 o 53.33122 4.102254 140.8317       21.25018 168.1277       28.35464 105.8560       32.09660 58.14267 5.031697 45.50716 7.464202 12.63551       9.001793 
1 1 1 7   6  37 o 35.66728 5.457433 64.41062       18.44811 53.99746       23.57789 80.84942       29.62433 32.21187 7.601335 39.47585 7.942125 -7.263981      10.99353 
1 1 1 7   6  38 o 67.90244 3.603364 227.6599       23.86394 244.6888       32.53926 207.8409       35.10387 70.17791 4.765238 64.45655 5.620073 5.721359       7.368359 
1 1 1 7   6  39 o 71.28046 3.605090 251.0562       25.07151 258.3124       33.85496 242.2438       37.30912 72.03706 4.829211 69.56871 5.524246 2.468346       7.337477 
1 1 1 7   6  40 o 58.60225 4.082986 170.5547       23.27413 170.0103       30.98340 171.2597       35.25866 58.16525 5.507617 58.15216 6.294549 0.1309204E-01  8.363922 
1 1 1 7   6  41 o 124.9024 3.542538 770.4826       43.26659 836.0635       61.56110 706.4670       60.82198 129.6015 4.861393 118.9581 5.236314 10.64335       7.145077 
1 1 1 7   6  42 o 28.75630 7.381723 43.60831       20.88174 61.51000       29.12910 24.68278       29.95050 33.90787 8.725867 24.50500 9.207788 9.402872       12.68559 
1 1 1 7   6  43 o 140.1230 4.202570 975.1204       57.57576 1079.000       98.74143 921.6064       70.87093 145.5958 6.948637 135.6093 5.349648 9.986450       8.769396 
1 1 1 7   6  44 o 58.87352 4.499741 173.5171       25.73418 159.5494       32.04168 198.9000       43.19402 55.97476 5.938632 62.00844 7.253392 -6.033676      9.374382 
1 1 1 7   6  45 o 31.36893 9.017279 53.47626       29.15795 27.47000       54.52850 63.89000       34.50547 29.08438 11.94674 34.04350 9.816554 -4.959120      15.46251 
1 1 1 7   6  46 o 99.88216 4.312361 499.3122       42.06150 564.0000       78.15784 472.9395       49.90437 103.6742 7.758119 96.66265 5.294625 7.011566       9.392628 
1 1 1 7   6  47 o 35.80861 7.094319 68.69299       23.98641 61.06223       26.48549 103.5000       56.56628 33.32540 8.180905 41.23085 12.73629 -7.905449      15.13739 
1 1 1 7   6  48 o 34.94455 6.055198 64.24312       19.96155 77.46973       26.94342 48.14978       29.72019 37.80695 7.545247 29.49819 9.250941 8.308764       11.93778 
1 1 1 7   6  49 o 78.05379 3.613640 304.3719       27.53372 295.9659       37.55643 314.1403       40.48545 76.22505 5.062304 78.38874 5.307715 -2.163689      7.334764 
1 1 1 7   6  50 o 24.52621 7.134480 32.51771       18.15308 42.47983       24.37730 20.11638       27.19843 27.72102 8.321079 22.22655 8.666896 5.494471       12.01480 
1 1 1 7   6  51 o 60.69256 3.945481 185.4877       23.31210 195.7541       32.18279 174.1540       33.81425 61.62456 5.389545 57.70927 6.077280 3.915295       8.122840 
1 1 1 7   6  52 o 39.06506 5.291485 79.40110       19.71380 111.9975       27.14549 43.02415       28.67651 46.05085 6.177886 27.75255 9.124913 18.29830       11.01954 
1 1 1 7   6  53 o 29.62041 6.473637 47.76851       18.24384 48.35835       24.21631 46.99434       27.74320 29.17590 8.161436 28.62908 8.931982 0.5468159      12.09915 
1 1 1 7   6  54 o 59.50212 3.913380 179.0970       22.66591 151.9364       30.41232 213.0337       33.99494 53.69673 5.882386 63.95086 5.483656 -10.25413      8.041949 
1 1 1 7   6  55 o 14.48967 6.340931 -1.288532      17.11343 10.24384       22.87284 -15.95426      25.79365 18.80097 7.731652 15.46733 7.167286 3.333637       10.54270 
1 1 1 7   6  56 o 53.15089 4.680652 145.2715       24.10284 146.1045       29.50320 143.6000       41.79448 52.62652 5.824800 49.94174 8.874834 2.684780       10.61560 
1 1 1 7   6  57 o 38.86975 6.018528 80.80753       22.15908 84.21042       26.95264 73.71000       38.92525 38.93481 7.341403 34.41883 10.55329 4.515980       12.85566 
1 1 1 7   6  58 o 84.70555 5.071123 371.3422       41.85326 401.5000       54.17604 326.7000       65.91441 86.68526 6.430726 75.04807 9.162700 11.63719       11.19416 
1 1 1 7   6  59 o 35.14021 6.534093 67.52184       21.64779 81.17000       33.51443 57.75100       28.35702 36.80137 9.301048 31.23861 8.864505 5.562767       12.84869 
1 1 1 7   6  60 o 16.12082 7.176958 -3.087080      22.83800 15.22000       47.14702 -8.699664      26.10514 24.10527 10.53737 16.34509 7.438103 7.760180       12.89812 
1 1 1 7   6  61 o 28.91030 6.925397 47.36425       19.33980 47.86242       27.14155 46.85043       27.56457 28.18958 8.840508 27.88970 8.929337 0.2998753      12.56533 
1 1 1 7   7  0  o 337.2658 6.446274 5573.719       212.8077 5731.718       307.4037 5428.315       294.8969 341.6763 9.199908 332.5186 9.068882 9.157715       12.91832 
1 1 1 7   7  1  o 514.3027 9.612301 12979.66       483.8964 13574.83       706.8616 12454.75       663.8293 525.0560 13.76567 502.9727 13.49579 22.08328       19.27771 
1 1 1 7   7  2  o 308.7203 5.942993 4669.112       179.5877 4743.010       256.6737 4598.241       251.3604 310.8842 8.442650 306.1039 8.397156 4.780273       11.90758 
1 1 1 7   7  3  o 456.5417 12.14302 10248.28       542.1604 10360.00       772.8130 10140.00       760.7896 457.9465 17.27160 453.0721 17.18617 4.874451       24.36539 
1 1 1 7   7  4  o 298.6923 6.658172 4371.390       194.6638 4098.000       322.8079 4527.621       244.0265 288.6553 11.44776 303.7823 8.214233 -15.12698      14.08988 
1 1 1 7   7  5  o 480.5588 10.38896 11332.55       488.6805 11110.00       833.8906 11448.96       603.0909 474.2217 17.99742 482.5239 12.78028 -8.302216      22.07358 
1 1 1 7   7  6  o 453.8115 8.520085 10096.87       378.4649 9732.457       521.7999 10501.38       549.7540 445.0060 11.99024 462.2357 12.16119 -17.22977      17.07807 
1 1 1 7   7  7  o 677.9574 12.58978 22579.77       835.4619 22907.05       1194.913 22266.76       1168.571 681.3040 17.93357 671.7534 17.78776 9.550659       25.25901 
1 1 1 7   7  8  o 246.0490 5.642211 2965.191       135.8867 3162.294       173.9958 2657.000       217.5721 253.9460 7.006585 232.5478 9.578895 21.39822       11.86792 
1 1 1 7   7  9  o 360.7505 7.927128 6379.143       279.9168 6255.213       338.7347 6646.000       497.0624 356.9606 9.703675 367.3793 13.84740 -10.41873      16.90892 
1 1 1 7   7  10 o 706.3832 13.11696 24527.23       906.9426 24343.10       1276.762 24714.77       1288.540 701.9477 18.59867 707.2792 18.62855 -5.331482      26.32363 
1 1 1 7   7  11 o 135.5420 3.265142 899.3837       43.31937 905.4493       62.83940 893.8907       59.79928 135.8952 4.731344 135.0341 4.530661 0.8610992      6.550764 
1 1 1 7   7  12 o 59.34105 3.754012 173.0958       21.69329 273.6000       57.40351 156.3508       23.43085 74.27367 8.022996 56.34504 4.280436 17.92863       9.093436 
1 1 1 7   7  13 o 283.6016 5.537507 3939.844       153.7195 3902.000       303.0352 3952.956       178.3725 281.6542 11.01307 284.0299 6.415901 -2.375702      12.74565 
1 1 1 7   7  14 o 187.1960 3.978033 1715.866       72.89053 1790.000       146.3134 1691.393       84.06503 190.9010 7.846870 185.8402 4.621356 5.060745       9.106607 
1 1 1 7   7  15 o 512.0205 9.585777 12871.62       480.4198 12480.00       937.6451 13011.02       559.4305 501.4472 19.13837 514.5055 11.10836 -13.05829      22.12856 
1 1 1 7   7  16 o 178.6449 5.452518 1565.202       95.23252 1507.000       128.9641 1635.000       141.2282 175.1183 7.541367 182.3790 7.930115 -7.260696      10.94344 
1 1 1 7   7  17 f 441.7014 9.637959 9587.954       416.6967 0.000000       0.000000 9587.954       416.6967 ?        ?        441.7014 9.637959 ?              ?        
1 1 1 7   7  18 f 264.8874 5.243206 3438.708       135.9454 3607.000       277.2364 3385.432       155.9864 270.5352 10.48924 262.7665 6.064718 7.768707       12.11631 
1 1 1 7   7  19 o 491.0156 10.67497 11875.93       513.0599 12370.00       912.1532 11647.29       620.5242 497.4619 18.76641 485.3159 13.07446 12.14606       22.87181 
1 1 1 7   7  20 o 292.5537 6.609283 4200.491       189.2632 4298.000       329.4857 4152.473       231.2146 294.8954 11.43632 290.5555 8.137818 4.339996       14.03615 
1 1 1 7   7  21 o 153.3337 4.126192 1152.883       61.87259 1151.000       101.6448 1153.992       77.98510 152.9561 6.806144 153.3206 5.203968 -0.3645477     8.567665 
1 1 1 7   7  22 o 106.5045 3.162213 556.0636       32.92943 524.6000       57.08464 571.7548       40.31279 103.2517 5.670039 107.9580 3.820912 -4.706299      6.837303 
1 1 1 7   7  23 o 220.1939 4.536402 2377.032       97.77392 2419.812       137.9164 2333.805       138.6328 221.8926 6.356448 217.8883 6.507482 4.004318       9.096799 
1 1 1 7   7  24 o 143.1358 3.986975 1004.921       55.80522 1008.139       66.55309 997.3000       102.4154 143.2987 4.751389 142.2108 7.382708 1.087891       8.779526 
1 1 1 7   7  25 o 54.47528 4.835839 146.7045       25.51796 155.2000       38.65312 140.1414       33.97373 55.70771 7.261295 52.98010 6.700886 2.727608       9.880702 
1 1 1 7   7  26 o 64.43574 4.458288 204.5885       27.94571 210.0000       43.88470 200.8973       36.24464 64.96832 7.011832 63.68739 5.880494 1.280926       9.151284 
1 1 1 7   7  27 o 169.8955 4.393452 1416.593       73.00112 1415.472       88.37383 1419.000       129.5269 169.7180 5.326324 169.5316 7.826663 0.1864014      9.467121 
1 1 1 7   7  28 o 242.4112 5.670552 2886.992       134.5502 2778.549       159.9899 3149.000       248.6842 237.5007 6.889390 251.9317 10.10511 -14.43098      12.23017 
1 1 1 7   7  29 o 139.8698 3.506006 959.6217       47.96235 940.5283       64.54144 983.1699       71.67625 138.3374 4.773578 141.3895 5.187867 -3.052094      7.049894 
1 1 1 7   7  30 o 139.5063 4.038445 955.5417       55.08799 966.7235       65.82359 929.4000       100.6448 140.2287 4.802637 137.0407 7.531971 3.187988       8.932855 
1 1 1 7   7  31 o 170.1814 4.429876 1422.958       73.72935 1481.559       91.00156 1311.000       125.7847 173.4964 5.365057 162.6421 7.924977 10.85435       9.570219 
1 1 1 7   7  32 o 142.6121 3.520455 997.7136       49.14296 954.4243       66.28522 1050.549       73.22983 139.2512 4.870581 146.0590 5.130128 -6.807846      7.073950 
1 1 1 7   7  33 o 249.3445 5.053438 3060.209       123.3369 3130.334       175.6332 2991.982       173.2408 251.3746 7.145288 245.7252 7.210481 5.649429       10.15117 
1 1 1 7   7  34 o 76.17965 4.401166 286.3988       32.67835 286.3988       32.67835 0.000000       0.000000 76.17965 4.401166 ?        ?        ?              ?        
1 1 1 7   7  35 o 95.81600 3.271461 451.3338       30.63716 467.1169       41.80204 433.0165       45.03312 97.30489 4.400296 93.58088 4.933735 3.724014       6.610926 
1 1 1 7   7  36 o 76.18395 3.403166 285.8256       25.31368 307.3023       33.93129 258.8705       38.01337 78.83733 4.414693 72.14257 5.422869 6.694763       6.992641 
1 1 1 7   7  37 o 77.91403 3.371906 299.0901       25.65476 323.5666       34.81653 270.0126       37.94803 80.85782 4.415794 73.65488 5.298999 7.202942       6.897727 
1 1 1 7   7  38 o 58.08241 3.778945 166.9532       21.36767 158.5597       28.05107 178.5560       32.98085 56.32872 5.144326 59.66433 5.717164 -3.335609      7.690907 
1 1 1 7   7  39 f 64.31734 3.796243 204.7867       23.79318 224.0327       32.21062 181.6743       35.29823 67.02451 4.944559 60.01579 6.093071 7.008720       7.846922 
1 1 1 7   7  40 o 13.52815 6.077559 -7.473451      16.77860 -2.840053      21.05857 -15.52819      27.76546 16.23872 7.071440 16.83924 7.666088 -0.6005154     10.42949 
1 1 1 7   7  41 f 134.3572 3.596071 891.8545       47.25032 916.7891       65.78992 865.2913       67.90433 135.6510 4.963212 131.6271 5.281152 4.023956       7.247347 
1 1 1 7   7  42 o 37.33308 5.510808 71.10923       19.53329 93.07367       25.10835 37.43626       31.08843 42.60868 6.202153 27.63309 9.503468 14.97560       11.34824 
1 1 1 7   7  43 o 12.87940 5.981541 -15.03781      18.11950 -7.519822      21.53017 -33.29000      33.54704 15.53521 6.938878 16.74818 7.893517 -1.212969      10.50979 
1 1 1 7   7  44 o 66.80701 4.584155 223.4940       29.79527 223.2000       39.12339 223.9000       45.97463 66.19087 6.107373 65.77238 7.261919 0.4184875      9.488703 
1 1 1 7   7  45 o 70.09968 4.042179 245.2733       27.61800 224.2000       40.07644 264.3323       38.11299 66.11033 6.268051 72.22697 5.430751 -6.116646      8.293463 
1 1 1 7   7  46 o 19.63064 8.971478 -17.84837      38.50088 -64.26000      52.04495 38.25000       57.21901 19.31231 9.300378 30.55830 12.35504 -11.24600      15.46429 
1 1 1 7   7  47 o 50.33694 5.692687 130.5547       27.55690 182.7000       55.90744 113.8201       31.67151 56.68453 10.46156 46.26339 7.230491 10.42113       12.71708 
1 1 1 7   7  48 o 46.41232 4.683187 109.6094       20.98488 129.8002       28.66558 86.29408       30.80386 49.97816 5.978127 39.59375 8.217629 10.38441       10.16206 
1 1 1 7   7  49 o 35.19966 5.758360 64.95605       19.15471 62.73391       25.45926 67.85472       29.07761 33.72240 7.858997 34.77904 8.592294 -1.056637      11.64437 
1 1 1 7   7  50 o 46.44224 4.625713 109.9737       20.74868 157.7990       28.60001 56.83389       30.14723 55.36265 5.344024 31.58875 9.195638 23.77390       10.63571 
1 1 1 7   7  51 o 23.51311 8.323810 28.11975       23.94754 -6.510000      49.21013 38.86541       27.41236 22.93532 10.34684 26.66612 8.926653 -3.730799      13.66537 
1 1 1 7   7  52 o 23.74532 7.086902 30.65002       17.72081 23.88474       23.47283 39.61609       27.02238 22.26338 8.192091 26.75180 8.860543 -4.488422      12.06729 
1 1 1 7   7  53 o 42.05397 4.837558 91.36878       19.55082 79.89356       25.92687 106.4954       29.76733 38.11004 7.214425 44.18707 7.124630 -6.077026      10.13944 
1 1 1 7   7  54 o 65.14651 3.736556 213.9971       23.72703 231.1809       32.42741 194.1962       34.80922 66.96985 4.982528 60.71511 5.932837 6.254738       7.747525 
1 1 1 7   7  55 o 23.56806 7.448228 30.44213       19.23038 38.96134       23.90284 14.81000       32.37865 26.27476 8.303970 21.85394 9.111899 4.420816       12.32812 
1 1 1 7   7  56 o 84.72134 4.527047 366.7686       37.40540 380.7000       51.64771 351.4000       54.24635 84.70728 6.273611 80.68279 6.936091 4.024483       9.352409 
1 1 1 7   7  57 o 20.07655 7.807542 17.07303       22.02529 11.29657       24.59125 40.50000       49.52308 19.39279 8.000194 28.22060 11.46341 -8.827803      13.97901 
1 1 1 7   7  58 o 45.59658 4.965831 108.1343       21.80542 109.3436       29.27729 106.6279       32.67712 44.68061 6.917679 43.37292 7.991315 1.307690       10.56955 
1 1 1 7   7  59 o 38.43178 5.728624 78.76827       20.89262 55.32815       29.32327 102.9364       29.77516 30.42761 9.124603 42.99120 7.338899 -12.56359      11.70973 
1 1 1 7   7  60 o 37.33978 6.264382 75.95168       22.08573 56.01000       34.61051 89.64979       28.68518 30.07859 10.02968 39.70316 7.658710 -9.624571      12.61944 
1 1 1 7   7  61 o 25.86790 8.254997 39.11641       23.57322 75.18000       34.09459 6.087000       32.62883 34.61014 9.684898 20.06189 8.768049 14.54825       13.06430 
1 1 1 7   8  0  o 739.9501 13.73861 26923.91       995.0650 28285.70       1458.462 25737.96       1361.051 756.2918 19.71833 721.5665 19.28775 34.72528       27.58314 
1 1 1 7   8  1  o 332.5829 9.014861 5428.418       293.2003 5657.000       426.7253 5224.000       403.5411 339.0377 12.88205 325.8138 12.67774 13.22388       18.07407 
1 1 1 7   8  2  o 333.2458 7.359261 5442.320       240.0519 5668.000       427.4162 5338.332       290.1332 339.3767 12.89000 329.8164 8.995487 9.560333       15.71849 
1 1 1 7   8  3  o 305.9507 6.812804 4586.362       204.0251 4558.000       351.3106 4600.796       250.6207 304.4330 11.81186 306.2303 8.368931 -1.797333      14.47615 
1 1 1 7   8  4  o 629.2132 11.69538 19440.27       720.3082 19380.58       1016.403 19500.50       1020.951 626.9930 16.57594 628.9248 16.59892 -1.931763      23.45818 
1 1 1 7   8  5  o 209.0756 6.114473 2143.096       124.9976 2042.000       172.8211 2254.000       181.0099 203.8957 8.679147 214.2392 8.649498 -10.34352      12.25322 
1 1 1 7   8  6  o 350.9189 6.697271 6033.367       230.0440 5821.160       317.5287 6267.794       333.7388 344.3814 9.428575 357.3451 9.549973 -12.96368      13.42013 
1 1 1 7   8  7  o 443.9862 9.650772 9669.503       419.4090 10136.08       531.4350 8899.000       682.9263 454.1387 11.96559 424.6968 16.45931 29.44189       20.34906 
1 1 1 7   8  8  o 459.4481 9.961545 10356.81       447.9911 10355.20       549.2949 10360.00       774.1982 458.9621 12.23799 458.0586 17.29840 0.9035339      21.18970 
1 1 1 7   8  9  o 156.6063 3.520293 1200.696       53.96279 1115.170       74.62093 1294.454       78.12975 150.8154 5.062030 162.5070 4.917428 -11.69162      7.057283 
1 1 1 7   8  10 o 320.6232 6.173824 5036.202       193.7561 5017.582       274.0432 5054.813       273.9819 319.7474 8.764264 320.9359 8.729733 -1.188446      12.37015 
1 1 1 7   8  11 o 159.5375 3.576388 1246.106       55.84877 1203.523       78.75393 1289.185       79.21226 156.6742 5.142297 162.1678 4.996202 -5.493546      7.169745 
1 1 1 7   8  12 o 255.1738 5.052345 3189.115       126.1930 3045.000       243.1450 3242.247       147.6335 248.8735 10.00152 257.2576 5.862872 -8.384109      11.59326 
1 1 1 7   8  13 o 226.0690 4.579021 2502.885       101.3258 2399.000       194.9014 2541.363       118.6154 220.9369 9.031435 227.7742 5.320230 -6.837234      10.48197 
1 1 1 7   8  14 o 257.7774 5.914168 3256.007       149.2261 3104.000       247.2590 3343.094       187.1533 251.2029 10.07635 261.0158 7.332549 -9.812897      12.46191 
1 1 1 7   8  15 o 435.5231 9.501812 9315.631       405.0642 0.000000       0.000000 9315.631       405.0642 ?        ?        435.5231 9.501812 ?              ?        
1 1 1 7   8  16 o 401.0496 7.599781 7891.523       298.3358 7596.000       578.7241 7998.481       348.1628 391.7381 15.12119 403.5841 8.813371 -11.84604      17.50216 
1 1 1 7   8  17 f 184.2437 3.967467 1662.620       71.55041 1832.000       146.7579 1609.806       81.94980 193.0358 7.783031 181.2101 4.623960 11.82570       9.052987 
1 1 1 7   8  18 o 335.0499 6.444695 5506.561       211.3577 5551.000       422.0422 5491.684       244.1848 335.0201 12.89408 334.4684 7.458600 0.5516968      14.89590 
1 1 1 7   8  19 o 333.9091 6.428097 5470.615       210.0956 5636.000       425.6743 5417.352       241.5691 337.3829 12.91370 332.1381 7.430475 5.244843       14.89885 
1 1 1 7   8  20 o 81.39391 3.127064 324.9298       24.86716 387.6000       43.52048 294.5504       30.30073 88.77419 5.028987 77.43243 4.011504 11.34176       6.432952 
1 1 1 7   8  21 o 231.9888 5.460681 2639.774       123.9995 2785.000       217.4668 2569.810       150.9417 237.5964 9.369126 228.6624 6.751249 8.933990       11.54816 
1 1 1 7   8  22 o 254.4672 5.883667 3177.939       146.5501 3224.000       251.9133 3154.377       180.1766 255.4228 10.09582 253.2332 7.276494 2.189621       12.44479 
1 1 1 7   8  23 o 242.4668 5.669873 2885.417       134.5649 3189.000       243.7860 2752.390       161.3764 254.0015 9.823944 236.5384 6.977614 17.46303       12.04977 
1 1 1 7   8  24 o 222.7232 4.583663 2432.604       99.92735 2475.138       140.8087 2389.448       141.8342 224.3571 6.418445 220.4093 6.581600 3.947830       9.193144 
1 1 1 7   8  25 o 168.0511 5.298255 1387.427       87.04375 1321.000       116.3081 1472.000       131.2363 163.6967 7.276974 172.7297 7.782115 -9.033020      10.65437 
1 1 1 7   8  26 o 186.3911 5.743433 1707.893       104.6609 1620.000       141.8231 1813.000       155.0909 181.1419 8.018617 191.5922 8.289555 -10.45029      11.53321 
1 1 1 7   8  27 o 271.5491 6.277431 3625.163       166.8540 3587.000       283.4764 3645.393       206.3938 268.7286 10.79897 271.8744 7.763672 -3.145752      13.30009 
1 1 1 7   8  28 o 117.8985 3.400023 681.8354       39.19605 675.3765       52.82729 689.7460       58.46339 117.2262 4.612924 118.4192 5.055407 -1.193039      6.843698 
1 1 1 7   8  29 o 103.1941 3.702434 522.8175       37.33737 502.1566       42.73197 589.5000       76.76868 101.0727 4.329325 109.1287 7.227581 -8.055984      8.425020 
1 1 1 7   8  30 o 198.9650 4.997301 1946.130       97.24662 2153.000       174.6588 1853.186       117.0716 208.3889 8.581035 193.9234 6.175455 14.46545       10.57215 
1 1 1 7   8  31 o 205.6358 4.351025 2076.363       87.57830 1998.293       119.3704 2167.373       128.8850 201.3320 6.064192 209.6273 6.288392 -8.295303      8.736035 
1 1 1 7   8  32 o 122.7035 3.326472 739.0492       39.91592 747.9443       54.76532 728.9690       58.29956 123.2831 4.546113 121.6520 4.906044 1.631111       6.688529 
1 1 1 7   8  33 o 117.4735 3.288038 677.6614       37.77075 681.1112       51.53133 673.6564       55.52364 117.6036 4.484781 116.8935 4.863300 0.7100601      6.615508 
1 1 1 7   8  34 f 30.81137 5.946066 48.47639       17.28314 54.90894       21.80519 37.60597       28.34596 32.66026 7.029178 27.83514 9.067409 4.825113       11.47289 
1 1 1 7   8  35 o 145.5622 4.106155 1043.646       58.44618 1029.399       70.14393 1076.000       105.7040 144.3500 4.971826 146.7691 7.381538 -2.419113      8.899784 
1 1 1 7   8  36 o 116.4286 3.352546 666.8789       38.16702 695.8438       52.88002 635.3810       55.14376 118.6737 4.560791 113.2874 4.985091 5.386246       6.756623 
1 1 1 7   8  37 o 103.1844 3.310372 524.1541       33.39140 538.5406       46.04071 508.1892       48.50039 104.3301 4.519156 101.2429 4.908745 3.087212       6.672222 
1 1 1 7   8  38 o 43.97337 4.571585 96.65887       19.39030 88.44901       25.17300 108.6372       30.40643 41.62469 6.381629 46.06070 6.961145 -4.436005      9.443662 
1 1 1 7   8  39 o 74.94384 3.474521 277.3861       25.41871 280.0641       34.06417 274.0215       38.18224 75.03696 4.660856 74.04519 5.303269 0.9917755      7.060329 
1 1 1 7   8  40 o 88.12830 3.494222 383.6791       30.08225 391.5551       40.70591 374.2016       44.65298 88.69668 4.705444 86.50994 5.298666 2.186737       7.086400 
1 1 1 7   8  41 o 95.91302 3.424764 454.5000       32.10087 463.3440       43.37717 443.7923       47.72922 96.47847 4.606606 94.20052 5.196497 2.277954       6.944379 
1 1 1 7   8  42 o 68.24208 4.059393 231.5270       26.99309 227.9930       32.69014 239.1000       47.85400 67.45128 4.986575 68.20957 7.279881 -0.7582932     8.823978 
1 1 1 7   8  43 o 35.73919 6.120025 66.08295       20.63983 79.59241       24.65984 34.48000       37.71683 39.12342 6.678986 27.79952 10.35577 11.32390       12.32278 
1 1 1 7   8  44 o 52.17327 4.303906 136.3900       21.78415 146.3120       28.25809 121.8562       34.20033 53.68436 5.453196 48.17211 7.496996 5.512245       9.270507 
1 1 1 7   8  45 f 20.03984 7.897600 13.62174       22.78781 11.62000       25.08821 23.06000       54.47683 20.22921 8.180270 28.31603 11.81367 -8.086823      14.36940 
1 1 1 7   8  46 o 85.90017 3.974081 368.8059       33.32410 394.7000       51.54821 350.2148       43.67832 87.69705 6.042057 82.97147 5.407588 4.725578       8.108542 
1 1 1 7   8  47 o 34.01408 5.939814 60.71586       19.05676 52.39218       25.18906 71.85669       29.14157 30.82585 8.204217 36.04525 8.413534 -5.219404      11.75146 
1 1 1 7   8  48 o 21.48106 8.220139 19.29300       24.13257 48.58000       51.09376 10.88344       27.37896 30.90674 11.92629 20.45902 8.440908 10.44772       14.61114 
1 1 1 7   8  49 o 66.35921 4.714700 223.5686       30.42453 289.8000       58.83157 199.3891       35.54695 72.92999 8.394270 62.00494 5.929057 10.92504       10.27704 
1 1 1 7   8  50 o 61.93640 5.889143 199.4612       35.27386 0.000000       0.000000 199.4612       35.27386 ?        ?        61.93640 5.889143 ?              ?        
1 1 1 7   8  51 o 71.51427 3.595604 256.3127       25.08853 268.8407       34.14001 241.6036       36.99250 72.56870 4.833828 68.31161 5.580993 4.257088       7.383317 
1 1 1 7   8  52 o 32.43799 6.030982 56.23918       18.44445 42.80087       24.37482 74.24259       28.21283 27.57738 8.330171 36.29501 8.142229 -8.717630      11.64850 
1 1 1 7   8  53 o 54.42707 4.040845 150.1836       21.37392 158.1486       28.71389 140.2862       32.00833 55.13530 5.389282 51.20465 6.534995 3.930649       8.470569 
1 1 1 7   8  54 o 14.90114 6.558661 -2.065632      18.54888 1.498823       22.82810 -8.992000      31.82189 17.06820 7.398141 18.21483 8.258696 -1.146629      11.08777 
1 1 1 7   8  55 o 17.96317 7.112799 11.84099       18.56362 30.21354       22.96012 -22.84000      31.54533 23.69920 8.166481 16.50979 7.741228 7.189402       11.25247 
1 1 1 7   8  56 f 46.84669 5.492263 115.2472       24.70703 127.0280       28.04679 74.43000       52.20586 48.90991 5.982828 33.85114 12.25385 15.05878       13.63638 
1 1 1 7   8  57 o 21.27337 7.337715 23.58047       18.53802 16.54590       24.71416 32.63026       28.03150 20.51841 8.180168 24.72180 8.974910 -4.203394      12.14348 
1 1 1 7   8  58 o 43.12599 5.013743 96.98151       20.77037 92.85563       28.32166 101.7830       30.55250 40.82079 7.358773 42.61028 7.604310 -1.789486      10.58192 
1 1 1 7   8  59 o 36.97031 5.870552 73.38038       20.53482 73.19165       28.45062 73.58562       29.66892 35.42901 8.342859 35.31999 8.651417 0.1090164      12.01875 
1 1 1 7   8  60 o 40.40187 5.392250 86.60972       20.79248 89.87408       29.56805 83.41637       29.24463 39.51227 7.921165 37.87682 8.131134 1.635448       11.35166 
1 1 1 7   8  61 o 43.43792 5.538937 100.7109       23.01560 109.9000       36.92887 94.87465       29.43060 42.59531 9.131522 40.67534 7.673278 1.919971       11.92744 
1 1 1 7   9  0  o 693.7949 14.90983 23683.95       1012.535 26870.00       1922.428 22460.79       1191.142 734.1863 26.79580 674.5704 18.05597 59.61597       32.31150 
1 1 1 7   9  1  o 355.9070 9.602553 6217.645       334.2200 6293.000       477.0478 6145.000       468.3881 357.5248 13.65679 353.3029 13.56940 4.221924       19.25192 
1 1 1 7   9  2  o 678.8935 14.59501 22672.89       969.8670 25360.00       1819.677 21606.65       1146.249 713.5457 26.09748 661.7070 17.71323 51.83868       31.54104 
1 1 1 7   9  3  o 584.9231 10.90726 16792.85       624.4832 16936.44       888.9844 16652.96       877.4341 586.3582 15.50266 581.4443 15.43065 4.913879       21.87321 
1 1 1 7   9  4  o 147.3601 4.839115 1064.513       69.70480 1085.000       101.1703 1046.000       96.17432 148.6429 6.972921 145.9569 6.750033 2.686035       9.704874 
1 1 1 7   9  5  o 135.4828 4.699670 899.9180       62.23000 812.4000       86.10880 995.6000       90.03548 128.5815 6.866584 142.4074 6.476092 -13.82594      9.438736 
1 1 1 7   9  6  o 294.2439 6.591584 4241.938       189.8469 4126.842       228.8443 4496.000       339.9997 290.0342 8.068761 302.3735 11.50859 -12.33926      14.05534 
1 1 1 7   9  7  o 203.5238 4.855950 2028.470       96.73766 2093.499       121.7272 1917.000       159.3725 206.6391 6.024662 197.5682 8.259409 9.070908       10.22323 
1 1 1 7   9  8  o 535.6221 10.01691 14077.74       525.1685 14194.90       747.1439 13963.32       738.3351 536.9455 14.22822 532.5560 14.17648 4.389526       20.08519 
1 1 1 7   9  9  o 178.3933 3.847439 1558.142       67.18256 1495.882       94.26598 1622.408       95.77292 174.6690 5.520503 181.9208 5.384337 -7.251831      7.711488 
1 1 1 7   9  10 o 525.1389 9.839615 13533.34       505.7763 14003.65       735.2233 13110.83       696.8683 533.2411 14.09843 516.0161 13.80931 17.22498       19.73481 
1 1 1 7   9  11 o 265.2171 5.225352 3445.318       135.6511 3143.000       253.9540 3566.013       160.4606 252.8145 10.28381 269.7844 6.076386 -16.96986      11.94484 
1 1 1 7   9  12 o 299.3560 5.808946 4390.489       170.2125 4177.000       327.1687 4469.719       199.3101 291.3130 11.49633 301.9893 6.742663 -10.67633      13.32776 
1 1 1 7   9  13 o 258.2094 5.923079 3266.976       149.7014 2939.000       239.4222 3477.506       191.8226 244.4266 10.02843 266.2098 7.368643 -21.78320      12.44453 
1 1 1 7   9  14 o 216.8203 5.149401 2303.146       109.2856 0.000000       0.000000 2303.146       109.2856 ?        ?        216.8203 5.149401 ?              ?        
1 1 1 7   9  15 o 261.7677 5.179576 3357.461       132.7139 3061.000       247.4503 3477.170       157.2419 249.3293 10.16060 266.3386 6.031536 -17.00931      11.81597 
1 1 1 7   9  16 o 177.4232 3.852986 1541.724       66.91355 1461.000       126.1477 1573.329       78.93322 172.3837 7.494031 179.1528 4.504792 -6.769028      8.743778 
1 1 1 7   9  17 o 165.1519 3.698704 1335.864       59.79149 1277.000       112.1927 1359.215       70.66252 161.1554 7.130003 166.5098 4.339238 -5.354340      8.346612 
1 1 1 7   9  18 o 304.5593 5.917738 4549.198       176.4143 4508.000       347.4344 4563.510       204.7765 302.0146 11.77529 304.9276 6.860838 -2.912994      13.62823 
1 1 1 7   9  19 o 221.2634 4.533836 2399.345       98.19323 2389.000       191.6544 2403.028       114.3404 220.1757 8.911307 221.3792 5.276633 -1.203476      10.35636 
1 1 1 7   9  20 o 309.7093 6.027277 4706.818       182.7181 4675.000       358.7135 4717.966       212.3278 307.2550 11.95009 309.9340 6.998928 -2.678955      13.84882 
1 1 1 7   9  21 o 280.2395 5.517304 3852.696       151.3430 3819.000       296.8575 3864.530       175.9224 277.8400 10.93695 280.5538 6.406173 -2.713867      12.67502 
1 1 1 7   9  22 o 196.9768 4.839507 1902.745       93.30875 1924.000       157.1753 1891.177       115.9524 197.5453 8.145995 196.1744 6.045748 1.370926       10.14437 
1 1 1 7   9  23 o 174.0578 4.496279 1486.483       76.54013 1503.000       126.7580 1477.005       96.02158 174.6434 7.432089 173.3730 5.665844 1.270370       9.345467 
1 1 1 7   9  24 o 183.1601 4.640639 1646.401       83.13138 1567.000       133.3675 1696.854       106.3112 178.2588 7.661396 185.7972 5.852964 -7.538422      9.641274 
1 1 1 7   9  25 o 111.6920 4.379586 612.7065       47.78799 620.5000       62.57434 601.8000       74.02428 112.2635 5.713234 110.4047 6.884096 1.858810       8.946051 
1 1 1 7   9  26 o 183.9117 4.019768 1658.320       72.36300 1733.642       102.0188 1582.051       102.6577 187.8087 5.555663 179.3594 5.855222 8.449295       8.071494 
1 1 1 7   9  27 o 212.6440 5.201336 2220.188       108.2616 2412.000       193.2310 2132.430       130.7018 220.7615 8.960885 208.1248 6.423496 12.63667       11.02537 
1 1 1 7   9  28 o 347.1505 9.575104 5974.097       325.0518 6303.000       474.8170 5684.000       445.9273 354.2325 13.71998 336.4593 13.56803 17.77316       19.29584 
1 1 1 7   9  29 o 224.6874 5.413592 2481.198       119.0613 2494.000       203.1459 2474.499       146.9443 224.1719 9.278130 224.0339 6.708451 0.1380310      11.44932 
1 1 1 7   9  30 o 41.02330 4.615352 83.68305       18.21166 69.67966       22.27855 111.8876       31.61769 37.09742 6.364368 47.11268 7.074574 -10.01527      9.516027 
1 1 1 7   9  31 o 108.4576 3.211922 577.3093       34.06060 566.2633       45.15363 591.8926       51.88219 107.2940 4.308191 109.6268 4.846969 -2.332817      6.484876 
1 1 1 7   9  32 f 160.9628 3.734062 1271.887       58.83194 1307.742       82.46330 1234.720       83.95869 162.9069 5.178060 158.2348 5.428764 4.672043       7.502253 
1 1 1 7   9  33 o 90.97002 3.223715 406.5948       28.65986 414.6231       38.59206 396.7224       42.79538 91.72580 4.310391 89.62904 4.896602 2.096764       6.523510 
1 1 1 7   9  34 o 37.09033 4.952805 69.00229       17.53216 78.03530       21.79015 52.41942       29.52391 39.31467 5.839506 31.90532 9.042138 7.409353       10.76383 
1 1 1 7   9  35 o 71.86082 3.438254 254.3721       24.11430 236.3074       31.11112 281.5578       38.16544 69.07140 4.628337 75.30936 5.209546 -6.237968      6.968564 
1 1 1 7   9  36 o 72.08932 3.769806 256.5275       26.50846 244.5649       31.31101 286.8000       49.80907 70.23999 4.579104 75.53952 6.809426 -5.299530      8.205881 
1 1 1 7   9  37 o 94.03211 3.333035 435.5660       30.62914 472.3310       42.17251 394.5238       44.55819 97.68855 4.421881 89.08530 5.131649 8.603256       6.773983 
1 1 1 7   9  38 o 40.74255 4.874192 83.42370       19.05299 81.01093       24.38077 87.20871       30.53679 39.74891 6.490119 40.87783 7.917908 -1.128922      10.23792 
1 1 1 7   9  39 o 118.1141 3.440553 688.2335       39.73499 699.0488       54.71661 676.1658       57.79738 118.6262 4.721727 116.5300 5.079357 2.096214       6.935025 
1 1 1 7   9  40 o 83.39415 3.515204 343.7645       28.62973 357.7914       38.63287 326.6767       42.64021 84.76352 4.674407 80.73923 5.426982 4.024284       7.162557 
1 1 1 7   9  41 o 54.33488 4.467538 147.5077       23.55068 154.1844       28.39746 132.8000       42.14743 55.33118 5.308319 50.03875 8.932923 5.292431       10.39112 
1 1 1 7   9  42 o 76.03195 3.916172 287.0570       29.04680 281.4676       35.14693 299.1000       51.59052 75.01163 4.812263 76.45084 6.970757 -1.439201      8.470497 
1 1 1 7   9  43 o 41.11582 5.164275 85.83641       20.32643 76.66095       25.69329 101.1856       33.23142 38.21339 7.131298 43.68402 8.068939 -5.470634      10.76862 
1 1 1 7   9  44 o 50.93427 5.041545 131.2818       24.80566 125.4096       27.38711 158.1000       58.52753 49.52649 5.756540 52.64597 11.66479 -3.119476      13.00788 
1 1 1 7   9  45 o 58.88577 4.035200 173.5396       23.11792 181.7374       30.39680 162.2921       35.60473 59.82133 5.244162 55.90032 6.636450 3.921005       8.458351 
1 1 1 7   9  46 f 79.29160 3.565239 313.2342       27.60004 297.4464       36.61615 334.0062       42.00013 76.66138 4.905401 81.01812 5.325706 -4.356735      7.240587 
1 1 1 7   9  47 o 16.26884 6.864971 3.283071       18.72101 -2.303000      25.56572 9.741647       27.48990 17.61974 7.729364 20.31446 8.426731 -2.694719      11.43472 
1 1 1 7   9  48 o 36.46616 6.172810 70.18356       21.24799 93.95000       29.92590 46.02140       30.17401 41.60812 7.628949 28.86447 9.351704 12.74365       12.06877 
1 1 1 7   9  49 o 65.04587 5.692192 218.4945       35.87660 0.000000       0.000000 218.4945       35.87660 ?        ?        65.04587 5.692192 ?              ?        
1 1 1 7   9  50 o 25.19177 8.325101 34.14308       23.85913 52.86000       45.03330 26.83899       28.13193 30.78935 11.34391 23.80620 8.928356 6.983149       14.43606 
1 1 1 7   9  51 o 55.00757 4.036431 152.9012       21.58200 139.8705       28.32524 170.9362       33.32340 51.81079 5.678216 57.10011 6.054339 -5.289318      8.300431 
1 1 1 7   9  52 o 14.12960 6.201002 -1.920595      16.47092 -13.81015      21.11701 16.54933       26.31978 14.06172 6.505144 21.03544 8.423082 -6.973712      10.64261 
1 1 1 7   9  53 f 35.70338 5.513247 67.26816       18.64755 106.0029       24.73594 16.27440       28.38158 44.83201 5.770492 21.33856 8.674364 23.49345       10.41841 
1 1 1 7   9  54 o 30.17249 6.830146 50.19153       19.70051 51.04219       23.88217 48.38000       34.85140 29.93729 7.997997 28.89509 10.05603 1.042202       12.84880 
1 1 1 7   9  55 o 21.02093 7.777359 21.29171       21.20593 20.95230       23.44271 22.82000       49.74506 21.31982 8.115551 25.86804 11.06276 -4.548220      13.72031 
1 1 1 7   9  56 o 30.51921 6.582413 51.16488       19.08498 56.59128       25.31555 44.02026       29.04832 31.35094 8.168684 27.61757 9.187956 3.733374       12.29414 
1 1 1 7   9  57 o 34.83770 6.078733 65.37772       19.97499 40.17859       26.68754 97.47758       30.12086 26.54468 8.805947 41.70529 7.660752 -15.16061      11.67184 
1 1 1 7   9  58 o 21.99573 7.350385 26.01650       18.58725 38.84460       25.79658 12.16577       26.80509 26.10093 8.657672 20.02634 8.315368 6.074596       12.00419 
1 1 1 7   9  59 o 33.54895 6.229681 61.38383       19.70448 34.02953       27.16794 91.74358       28.62155 24.78601 8.856326 40.33306 7.526560 -15.54704      11.62255 
1 1 1 7   9  60 o 38.76050 5.561824 80.30405       20.49774 68.99713       28.79027 91.92731       29.19023 33.95306 8.642158 40.06471 7.723354 -6.111645      11.59039 
1 1 1 7   9  61 o 38.39697 5.732421 79.62128       20.88588 78.87451       29.48638 80.37322       29.58809 36.31945 8.453280 36.70350 8.415642 -0.3840485     11.92816 
1 1 1 7   10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   10 1  o 552.4661 11.90809 14990.78       643.9528 16240.00       1181.285 14462.60       768.1172 572.4847 21.11687 541.9955 14.49157 30.48920       25.61109 
1 1 1 7   10 2  o 458.8192 8.618644 10322.13       387.0675 10683.01       560.6904 9993.552       535.0048 466.1610 12.29874 450.8841 12.13337 15.27695       17.27650 
1 1 1 7   10 3  o 357.4691 6.815625 6261.291       238.4791 6214.206       336.0933 6309.035       338.4398 355.7815 9.659892 358.4885 9.653739 -2.706970      13.65680 
1 1 1 7   10 4  o 671.1063 17.73798 22235.14       1164.181 20620.00       1557.504 24280.00       1752.494 643.6001 24.76956 698.0202 25.69354 -54.42010      35.68878 
1 1 1 7   10 5  o 213.7955 5.055686 2238.524       105.7998 2263.069       131.2589 2193.000       178.7576 214.8363 6.248510 211.2984 8.661313 3.537857       10.67999 
1 1 1 7   10 6  o 312.4365 6.972164 4783.625       213.2237 4863.266       265.1950 4638.000       358.6039 314.8033 8.614467 307.0325 11.95516 7.770752       14.73550 
1 1 1 7   10 7  o 348.0125 6.657187 5934.528       226.7732 5626.535       309.7438 6290.337       332.9204 338.5355 9.356401 357.9449 9.510490 -19.40936      13.34135 
1 1 1 7   10 8  o 432.6507 8.152941 9178.182       345.2693 9314.992       493.7308 9047.246       483.0145 435.2980 11.59804 429.0059 11.51287 6.292114       16.34199 
1 1 1 7   10 9  f 261.7882 5.950904 3357.551       152.4893 3202.000       255.6982 3443.407       189.9671 255.1899 10.25755 264.9428 7.332262 -9.752869      12.60870 
1 1 1 7   10 10 o 244.9486 4.887643 2938.609       117.1873 2803.000       225.9671 2988.498       137.0589 238.7816 9.688150 246.9882 5.669238 -8.206635      11.22500 
1 1 1 7   10 11 o 95.15395 2.996311 443.6969       27.87265 425.2000       53.30008 450.6591       32.70016 92.97128 5.887203 95.87666 3.490246 -2.905380      6.844047 
1 1 1 7   10 12 o 261.9827 5.182281 3362.300       132.8923 3086.000       250.1507 3470.940       156.8577 250.4355 10.22620 266.1371 6.021355 -15.70152      11.86726 
1 1 1 7   10 13 o 353.7274 6.764177 6134.789       234.2017 5683.000       442.3608 6310.749       276.0673 339.3110 13.34505 358.6505 7.863887 -19.33948      15.48971 
1 1 1 7   10 14 o 357.2329 6.822525 6258.393       238.5629 5842.000       453.2614 6417.938       280.5686 343.8705 13.49247 361.6292 7.926280 -17.75867      15.64840 
1 1 1 7   10 15 o 341.3747 6.547018 5715.272       218.7666 5382.000       417.7618 5841.194       256.7909 330.0314 12.95723 344.9905 7.604424 -14.95911      15.02388 
1 1 1 7   10 16 o 379.6987 7.230721 7075.730       268.7367 6641.000       511.7096 7241.297       315.7912 366.0895 14.30761 383.9271 8.403208 -17.83752      16.59282 
1 1 1 7   10 17 o 99.35284 3.033396 483.8155       29.46501 475.7000       53.15706 487.4148       35.40121 98.34328 5.544631 99.69013 3.634018 -1.346848      6.629406 
1 1 1 7   10 18 o 156.4398 3.578627 1198.779       54.79864 1216.000       105.5407 1192.422       64.11884 157.2315 6.874244 155.9429 4.204461 1.288574       8.058084 
1 1 1 7   10 19 o 424.6634 8.042477 8867.103       334.3034 8596.000       651.0761 8964.168       389.5802 414.9678 16.05949 426.6402 9.328867 -11.67239      18.57242 
1 1 1 7   10 20 o 125.4062 3.274457 770.8475       40.15992 784.0000       74.08435 765.3742       47.79097 126.2491 6.012314 124.9195 3.913318 1.329590       7.173700 
1 1 1 7   10 21 o 254.8277 5.096359 3185.065       127.1197 3136.000       247.2263 3202.699       148.2135 251.8702 10.04810 255.4339 5.927928 -3.563660      11.66639 
1 1 1 7   10 22 o 252.1542 5.064932 3119.015       125.0104 3120.000       244.8556 3118.667       145.3864 251.1632 9.979601 252.0368 5.893232 -0.8735809     11.58976 
1 1 1 7   10 23 o 178.3014 4.625667 1560.181       80.66187 1634.000       134.3871 1518.609       100.8482 182.0636 7.557418 175.7608 5.870156 6.302826       9.569394 
1 1 1 7   10 24 o 59.71686 4.371145 175.8032       25.37345 166.9000       29.39896 201.8000       50.23655 58.08278 5.226897 63.46445 8.284495 -5.381668      9.795576 
1 1 1 7   10 25 o 209.2546 5.082933 2149.040       104.1108 2137.000       173.4301 2155.823       130.1756 207.9671 8.537844 209.3236 6.360765 -1.356461      10.64679 
1 1 1 7   10 26 o 90.00584 5.255361 399.0932       46.09842 0.000000       0.000000 399.0932       46.09842 ?        ?        90.00584 5.255361 ?              ?        
1 1 1 7   10 27 o 169.5775 4.391995 1411.785       72.84009 1377.001       86.00980 1500.000       136.9736 167.3607 5.256868 174.1673 8.056418 -6.806564      9.619800 
1 1 1 7   10 28 o 109.6353 3.990649 590.3358       42.75383 670.1000       74.75151 551.5580       52.12031 116.4828 6.582987 105.8550 5.044767 10.62785       8.293696 
1 1 1 7   10 29 f 236.5951 5.614075 2753.091       130.0140 2638.000       216.2444 2818.249       162.7064 230.3180 9.613173 238.9645 6.963514 -8.646530      11.87028 
1 1 1 7   10 30 f 126.6075 3.990742 787.4691       49.39428 926.3000       87.56557 722.6788       59.81980 136.9066 6.553381 121.1410 5.055954 15.76560       8.277045 
1 1 1 7   10 31 o 137.8217 3.458112 932.4582       46.61437 929.6905       63.44940 935.7038       68.70973 137.4370 4.723499 137.8166 5.102240 -0.3796692     6.953006 
1 1 1 7   10 32 o 60.83008 3.469689 182.2020       20.57360 161.4409       25.71194 219.1510       34.30132 57.10245 4.640124 66.48551 5.315042 -9.383064      7.055524 
1 1 1 7   10 33 o 199.4359 4.272653 1956.527       83.40791 1981.427       116.6698 1930.497       119.2869 200.1361 5.962267 197.4670 6.179125 2.669037       8.586630 
1 1 1 7   10 34 o 138.5607 3.485785 943.9849       47.23913 947.7639       64.80072 939.6990       69.01025 138.5560 4.785206 137.8776 5.122351 0.6783752      7.009756 
1 1 1 7   10 35 o 122.2300 3.376398 734.9421       40.35723 720.6710       54.29282 752.5641       60.33103 120.7725 4.601115 123.3127 5.008773 -2.540215      6.801328 
1 1 1 7   10 36 o 71.04198 3.432897 248.8515       23.80097 253.5600       31.41120 242.5033       36.47228 71.52189 4.509788 69.75017 5.383731 1.771721       7.023016 
1 1 1 7   10 37 o 65.54459 3.857198 212.5631       24.63718 229.8690       29.67842 174.2000       44.18761 68.04374 4.480953 58.24543 7.958482 9.798313       9.133257 
1 1 1 7   10 38 o 36.02248 6.338500 66.74593       21.53369 75.35812       23.99048 31.04000       48.84863 38.24740 6.649377 29.48646 11.58044 8.760941       13.35368 
1 1 1 7   10 39 o 101.8856 3.400603 512.2994       33.86617 546.7799       46.35046 472.8103       49.60276 104.9309 4.523407 97.32291 5.226131 7.608009       6.911849 
1 1 1 7   10 40 o 40.96259 5.330156 85.04489       20.86507 73.48082       24.42184 116.3000       40.14982 37.59926 6.889609 46.73916 9.103453 -9.139896      11.41663 
1 1 1 7   10 41 o 14.36891 6.334316 -4.251120      17.36499 4.725127       20.22374 -29.44000      33.87806 17.38652 7.221313 17.28167 8.076934 0.1048450      10.83440 
1 1 1 7   10 42 o 46.90377 4.511083 110.4095       20.45559 83.63895       25.47727 158.9730       34.31458 40.12212 6.725039 55.73970 6.405680 -15.61758      9.287566 
1 1 1 7   10 43 o 55.56157 4.798258 155.2739       25.83996 154.5553       28.83854 158.2000       58.19685 55.23477 5.403042 52.96648 11.55128 2.268291       12.75245 
1 1 1 7   10 44 o 42.75152 4.950124 92.81887       20.33215 114.2932       26.54000 62.30974       31.63414 47.17283 5.874766 33.64439 9.296986 13.52845       10.99758 
1 1 1 7   10 45 o 54.04012 4.127901 146.5664       21.66968 141.2166       28.25476 154.2078       33.76812 52.50460 5.583308 54.49702 6.455580 -1.992416      8.535094 
1 1 1 7   10 46 o 78.06609 3.545441 303.7034       27.02115 296.2328       35.81221 313.5783       41.17364 76.52831 4.805077 78.41705 5.397085 -1.888748      7.226153 
1 1 1 7   10 47 o 44.79163 4.678983 102.1520       20.21198 82.40972       26.26809 130.8039       31.64515 39.19609 7.108366 49.83752 6.653049 -10.64143      9.736115 
1 1 1 7   10 48 o 72.91788 5.422402 272.7631       38.42485 0.000000       0.000000 272.7631       38.42485 ?        ?        72.91788 5.422402 ?              ?        
1 1 1 7   10 49 o 32.42377 6.593544 56.53263       20.21258 65.12000       28.50102 47.84339       28.66955 33.99049 8.569809 29.19888 9.075196 4.791603       12.48202 
1 1 1 7   10 50 o 65.38403 4.153473 215.9048       26.44469 225.1000       39.10246 208.1543       35.89938 65.58067 6.163729 63.23839 5.866507 2.342281       8.509257 
1 1 1 7   10 51 o 23.81016 8.210513 29.74118       23.20982 25.56000       43.69584 31.38451       27.39376 25.85089 10.66430 24.68258 8.884180 1.168310       13.88006 
1 1 1 7   10 52 o 37.99192 6.834668 78.57191       24.48203 86.56000       44.50035 75.10477       29.31757 37.08608 11.26671 36.23151 8.426446 0.8545685      14.06925 
1 1 1 7   10 53 o 75.34241 3.894469 286.7639       28.62316 269.2487       34.57696 324.9000       51.02094 72.33685 4.912531 77.84615 6.762881 -5.509300      8.358800 
1 1 1 7   10 54 o 13.90663 6.401552 -11.71029      20.08776 -12.51527      22.11725 -7.918000      48.00513 14.58233 6.714246 22.14863 10.08200 -7.566295      12.11312 
1 1 1 7   10 55 o 43.48465 4.838772 97.93440       20.24732 108.7541       27.18853 84.46314       30.33767 45.00743 6.347621 38.38932 8.314613 6.618103       10.46064 
1 1 1 7   10 56 o 72.70216 4.185569 268.8337       29.65981 320.3000       47.09696 235.0064       38.18258 77.63243 6.250681 66.72529 5.907093 10.90714       8.600277 
1 1 1 7   10 57 o 24.33390 7.370240 33.07766       19.06275 41.17704       25.68523 23.14584       28.44276 26.75780 8.624648 22.56389 8.844082 4.193907       12.35323 
1 1 1 7   10 58 o 18.26530 7.090082 13.69514       18.13742 29.14239       25.05196 -3.321021      26.29342 23.47696 8.489915 17.24786 7.688345 6.229097       11.45379 
1 1 1 7   10 59 o 51.66058 4.368528 137.2456       21.88338 150.7015       30.58405 123.1301       31.32478 53.06586 5.992797 47.21225 6.989252 5.853603       9.206697 
1 1 1 7   10 60 o 17.26455 6.978585 10.30152       18.25034 -3.328354      25.41216 24.81936       26.22688 16.79766 7.518070 22.28288 8.558673 -5.485220      11.39176 
1 1 1 7   11 0  o 318.7954 8.695855 4987.544       271.0970 5168.000       393.1749 4824.000       374.2993 324.0613 12.41815 313.0995 12.23679 10.96182       17.43414 
1 1 1 7   11 1  o 457.8807 9.943542 10287.63       445.6559 10498.51       554.0233 9901.000       750.1498 462.0761 12.26005 447.7228 17.14890 14.35330       21.08064 
1 1 1 7   11 2  f 602.0811 12.95567 17820.51       763.5214 17805.79       934.8106 17850.00       1323.331 600.9498 15.90601 599.4597 22.59333 1.490112       27.63077 
1 1 1 7   11 3  o 270.0687 7.510783 3577.792       198.3553 3342.000       268.9521 3859.000       293.7141 260.7141 10.56098 280.1659 10.73018 -19.45178      15.05559 
1 1 1 7   11 4  o 382.5643 8.397120 7176.586       314.4424 6844.427       372.7650 7996.000       585.4822 373.2967 10.21134 402.7205 14.87822 -29.42380      18.04530 
1 1 1 7   11 5  o 417.0747 11.19386 8549.107       456.5697 8549.107       456.5697 0.000000       0.000000 417.0747 11.19386 ?        ?        ?              ?        
1 1 1 7   11 6  o 417.6991 7.899256 8554.084       322.9654 8734.274       462.7175 8382.909       450.9922 421.5474 11.22406 412.9843 11.16678 8.563110       15.83277 
1 1 1 7   11 7  o 365.0584 6.958753 6531.565       248.6566 6514.931       351.3069 6548.265       352.0013 364.2005 9.863703 365.1325 9.857914 -0.9319458     13.94529 
1 1 1 7   11 8  f 181.2921 3.911150 1609.296       69.40481 1485.000       132.0012 1656.787       81.59370 173.8580 7.776378 183.9330 4.532010 -10.07497      9.000620 
1 1 1 7   11 9  o 125.8044 3.205527 775.3397       39.44096 736.9000       77.15047 788.9402       45.89098 122.4548 6.459449 126.8833 3.698966 -4.428589      7.443576 
1 1 1 7   11 10 o 421.3383 9.199810 8713.662       379.4164 8155.000       625.5801 9038.743       477.2047 406.1703 15.76500 428.6466 11.38371 -22.47629      19.44541 
1 1 1 7   11 11 o 406.7782 8.906966 8122.431       354.6449 0.000000       0.000000 8122.431       354.6449 ?        ?        406.7782 8.906966 ?              ?        
1 1 1 7   11 12 o 195.7517 4.115992 1876.687       78.86536 1760.000       150.0174 1921.253       92.71025 189.2042 8.119263 198.0380 4.782698 -8.833847      9.423196 
1 1 1 7   11 13 o 225.4320 4.586986 2489.544       101.2160 2375.000       194.4468 2532.115       118.5419 219.6977 9.061543 227.3136 5.327707 -7.615845      10.51171 
1 1 1 7   11 14 o 241.2820 4.842354 2852.524       114.3636 2745.000       221.0085 2891.844       133.6482 236.1010 9.583154 242.8904 5.621427 -6.789459      11.11023 
1 1 1 7   11 15 o 167.2096 3.705389 1369.381       60.64587 1157.000       108.5440 1465.769       73.12411 153.3649 7.251123 172.9711 4.318976 -19.60622      8.439926 
1 1 1 7   11 16 o 190.9727 4.061320 1786.701       75.91799 1755.000       146.9191 1798.248       88.67409 188.8372 7.966382 191.5549 4.729305 -2.717667      9.264425 
1 1 1 7   11 17 f 647.3305 12.12088 20708.88       768.0094 18960.00       1439.101 21405.33       908.1442 610.2665 24.13922 656.9890 14.12182 -46.72247      27.96655 
1 1 1 7   11 18 o 118.7097 3.195318 690.6872       37.09465 591.9000       64.55450 739.3863       45.32490 109.6644 6.037171 122.7921 3.775519 -13.12766      7.120532 
1 1 1 7   11 19 o 74.87414 3.198501 275.0879       23.38745 350.5000       41.55667 240.1312       28.29342 84.39318 5.053838 69.87708 4.155375 14.51611       6.542814 
1 1 1 7   11 20 o 101.2890 3.768481 503.3999       37.29726 0.000000       0.000000 503.3999       37.29726 ?        ?        101.2890 3.768481 ?              ?        
1 1 1 7   11 21 o 41.56438 4.315454 85.60025       17.30191 106.4000       25.44016 67.69998       23.60047 46.20525 5.748989 36.52867 6.852197 9.676579       8.944467 
1 1 1 7   11 22 o 318.8636 7.146301 5000.559       223.0450 4520.000       357.5034 5306.829       285.4036 301.5334 12.13744 327.9234 8.899849 -26.39001      15.05074 
1 1 1 7   11 23 o 234.0053 5.495522 2688.192       125.8754 2782.000       218.1978 2641.401       154.1034 237.1690 9.417825 231.6726 6.803024 5.496368       11.61794 
1 1 1 7   11 24 o 280.7815 5.536384 3871.182       152.1601 3714.224       207.0122 4055.637       224.4134 274.5002 7.712193 286.7706 8.002631 -12.27048      11.11396 
1 1 1 7   11 25 o 192.0645 4.717581 1809.978       88.68960 1706.070       102.8203 2112.000       175.2969 186.2835 5.645466 206.6684 8.684860 -20.38498      10.35848 
1 1 1 7   11 26 o 139.5771 4.836626 957.3712       65.97905 904.0000       84.64665 1040.000       105.3227 135.4149 6.404269 145.0887 7.441066 -9.673889      9.817542 
1 1 1 7   11 27 o 236.3107 5.570516 2744.519       128.8502 2782.000       219.6551 2724.855       159.0988 236.7924 9.496184 235.0954 6.921333 1.697037       11.75084 
1 1 1 7   11 28 f 147.7157 4.095909 1071.384       59.16484 948.9000       89.91584 1164.908       78.57053 138.6310 6.645635 153.8791 5.224010 -15.24812      8.453091 
1 1 1 7   11 29 f 161.0276 3.698996 1271.955       58.30292 1240.370       78.65856 1310.465       86.85497 158.7768 5.067682 163.1397 5.446760 -4.362900      7.439663 
1 1 1 7   11 30 o 107.2408 3.167918 564.4215       33.21727 508.3894       42.42997 653.1342       53.38838 101.6543 4.273766 115.1779 4.745728 -13.52356      6.386470 
1 1 1 7   11 31 o 86.41489 3.968850 367.5203       33.48100 314.0000       53.07708 402.8906       43.14862 79.38905 6.898732 90.35905 4.896829 -10.96999      8.459991 
1 1 1 7   11 32 o 90.73690 3.916121 405.2832       34.69946 441.0000       58.91084 386.3086       42.93843 94.21191 6.426752 88.42374 4.981163 5.788162       8.131120 
1 1 1 7   11 33 o 166.6540 3.814502 1365.339       62.22426 1365.094       85.86347 1365.611       90.30092 166.2185 5.284148 166.1661 5.559754 0.5244446E-01  7.670273 
1 1 1 7   11 34 o 129.4106 3.414132 823.6230       43.20926 887.2686       60.60117 757.8066       61.62596 134.0527 4.625412 123.7561 5.098257 10.29654       6.883797 
1 1 1 7   11 35 o 130.2259 3.425667 834.6060       43.62862 898.6627       61.49704 769.6956       61.90538 134.8185 4.667174 124.6380 5.084926 10.18050       6.902100 
1 1 1 7   11 36 o 121.2545 3.376935 724.0052       40.04088 749.0745       55.11642 695.9875       58.26760 123.0217 4.585150 118.4383 5.037580 4.583450       6.811814 
1 1 1 7   11 37 o 69.00726 3.531137 235.2549       23.77219 251.6665       31.10442 212.2051       36.86207 71.18004 4.487178 64.98991 5.857448 6.190125       7.378649 
1 1 1 7   11 38 o 35.55009 5.369997 64.25683       18.10421 55.87429       22.16873 81.04150       31.36961 32.69441 7.128690 39.17380 8.430980 -6.479385      11.04082 
1 1 1 7   11 39 o 32.20979 7.364190 54.56684       22.71070 54.56684       22.71070 0.000000       0.000000 32.20979 7.364190 ?        ?        ?              ?        
1 1 1 7   11 40 o 78.85653 3.705874 308.0086       28.52449 314.7638       34.07821 292.2000       52.13223 79.52728 4.394873 75.59570 7.129560 3.931580       8.375294 
1 1 1 7   11 41 o 23.02151 7.112465 27.04991       17.63975 28.82910       20.84745 22.56557       33.09715 23.96281 7.773966 24.65060 9.575153 -0.6877956     12.33362 
1 1 1 7   11 42 o 139.1852 4.215989 963.2156       57.37171 950.7397       67.35340 996.2000       109.5162 137.8420 5.000252 138.6723 8.103621 -0.8302307     9.522141 
1 1 1 7   11 43 o 45.58219 4.577502 104.7030       20.14733 92.63496       25.57426 124.4451       32.71015 42.27316 6.378985 48.84951 7.044244 -6.576347      9.503305 
1 1 1 7   11 44 o 72.46297 3.609563 261.2556       25.52159 253.8954       33.66682 271.1997       39.13271 70.95634 4.877013 73.05081 5.513487 -2.094467      7.360965 
1 1 1 7   11 45 o 54.19580 4.056583 147.4535       21.36337 126.3250       27.29815 180.8435       34.31689 49.51300 5.738734 59.21368 6.003675 -9.700680      8.305250 
1 1 1 7   11 46 o 36.12802 5.491643 67.74668       18.80954 74.40535       23.91620 56.94934       30.45488 37.37913 6.786554 31.85623 9.233402 5.522894       11.45919 
1 1 1 7   11 47 o 51.34405 6.836730 139.4538       33.50619 0.000000       0.000000 139.4538       33.50619 ?        ?        51.34405 6.836730 ?              ?        
1 1 1 7   11 48 o 62.90449 3.684310 198.2104       22.58596 200.0685       29.56474 195.6060       35.00198 62.67594 4.856989 61.41077 5.895258 1.265171       7.638351 
1 1 1 7   11 49 o 50.20452 4.209406 127.6385       20.49540 145.0133       26.67152 102.5844       32.02783 53.08294 5.199811 43.21247 7.861547 9.870468       9.425601 
1 1 1 7   11 50 o 30.54039 6.736501 50.76107       19.59637 71.80000       26.98813 27.29798       28.50058 35.88853 7.897334 23.88863 8.980877 11.99990       11.95927 
1 1 1 7   11 51 o 65.32207 4.136299 215.9826       26.31128 238.6000       38.89518 196.9007       35.72603 67.51257 5.946504 61.22804 6.039691 6.284527       8.475776 
1 1 1 7   11 52 o 13.42316 6.187188 -11.63831      18.85296 -6.957000      23.84187 -19.45000      30.79848 16.03141 7.219806 16.69700 7.769418 -0.6655960     10.60610 
1 1 1 7   11 53 o 37.11567 9.328939 81.62286       33.84861 92.42000       44.93528 67.46000       51.46463 38.11030 11.26314 32.79976 12.11945 5.310539       16.54507 
1 1 1 7   11 54 o 65.73399 4.611895 221.4874       29.48567 260.1000       52.95936 204.1412       35.49612 68.24764 8.084560 62.21440 5.899347 6.033241       10.00812 
1 1 1 7   11 55 o 24.50748 7.137717 33.40807       18.15968 18.10548       23.87403 54.41763       27.97381 20.69098 8.104855 30.43331 8.857586 -9.742331      12.00606 
1 1 1 7   11 56 o 24.44271 7.185096 33.26267       18.32766 34.76363       24.43467 31.33207       27.71205 24.99824 8.428395 24.35875 8.911355 0.6394863      12.26581 
1 1 1 7   11 57 o 39.85997 5.209474 83.44255       19.83937 84.89605       26.80665 81.68222       29.50065 39.01967 7.286531 37.63655 8.237073 1.383121       10.99741 
1 1 1 7   11 58 o 50.11832 4.457672 129.2608       21.64016 134.2854       29.91908 123.7484       31.33782 49.95560 6.255442 47.44562 6.954242 2.509979       9.353717 
1 1 1 7   11 59 o 26.69144 7.097746 40.43685       18.86310 47.37903       26.26741 33.04475       27.10522 28.23686 8.671353 24.43614 8.831770 3.800720       12.37710 
1 1 1 7   11 60 o 31.41990 6.543695 55.07682       19.47034 71.68550       27.83619 39.16754       27.24379 34.77253 8.294862 25.82446 8.895858 8.948076       12.16310 
1 1 1 7   12 0  o 602.3563 11.22879 17821.47       662.0529 18126.42       947.4348 17530.46       925.5182 606.1684 15.98191 596.1451 15.87499 10.02332       22.52636 
1 1 1 7   12 1  o 589.5776 12.70039 17090.72       732.9329 16923.21       891.5270 17440.00       1287.362 585.8043 15.56183 592.3636 22.24222 -6.559326      27.14566 
1 1 1 7   12 2  o 216.7451 6.362380 2303.853       134.8357 2303.853       134.8357 0.000000       0.000000 216.7451 6.362380 ?        ?        ?              ?        
1 1 1 7   12 3  o 421.7881 11.31353 8745.715       466.6660 8745.715       466.6660 0.000000       0.000000 421.7881 11.31353 ?        ?        ?              ?        
1 1 1 7   12 4  o 214.5803 6.323537 2258.124       132.6729 2499.000       201.5682 2074.000       176.2298 225.5020 9.150998 205.4352 8.784194 20.06685       12.68475 
1 1 1 7   12 5  o 218.9333 6.441050 2350.836       137.8803 2177.000       188.2532 2552.000       202.5110 210.4406 9.161118 227.8836 9.097100 -17.44302      12.91059 
1 1 1 7   12 6  o 470.6845 10.21275 10878.22       470.5207 11170.00       829.5262 10739.82       571.3192 475.0310 17.87216 467.1347 12.50608 7.896301       21.81322 
1 1 1 7   12 7  o 294.8491 6.656910 4260.951       192.1227 4612.000       348.9923 4108.301       230.1338 306.0754 11.67018 289.3023 8.134926 16.77304       14.22569 
1 1 1 7   12 8  o 523.5917 9.806706 13462.10       502.5996 13040.00       979.8135 13612.82       585.4966 512.4167 19.57100 526.2131 11.36728 -13.79645      22.63270 
1 1 1 7   12 9  o 381.7204 8.396885 7150.097       313.7399 6503.000       507.5116 7550.357       399.1466 362.8521 14.31737 391.8448 10.41591 -28.99271      17.70532 
1 1 1 7   12 10 o 289.3308 6.526281 4104.078       184.8275 0.000000       0.000000 4104.078       184.8275 ?        ?        289.3308 6.526281 ?              ?        
1 1 1 7   12 11 o 145.2774 3.438683 1033.468       48.89859 1047.000       97.36236 1028.904       56.54765 145.9551 6.833972 144.8884 3.991065 1.066711       7.914024 
1 1 1 7   12 12 o 151.3542 3.504626 1121.808       51.92091 1084.000       100.6365 1135.522       60.61042 148.4942 6.942946 152.2067 4.071905 -3.712524      8.048907 
1 1 1 7   12 13 f 550.2874 10.30536 14901.42       555.0843 14570.00       1089.933 15017.48       644.9976 539.3335 20.68435 551.9120 11.93939 -12.57849      23.88286 
1 1 1 7   12 14 o 369.2595 7.044599 6692.046       254.6210 6335.000       488.0087 6825.602       298.4672 357.5432 13.97107 372.7440 8.180497 -15.20078      16.18985 
1 1 1 7   12 15 o 47.30491 3.571745 110.2287       16.41619 80.73000       32.69786 120.1700       18.98189 39.76008 8.648384 49.36961 3.961235 -9.609528      9.512409 
1 1 1 7   12 16 o 193.4473 4.105236 1833.573       77.73328 1703.000       145.9604 1885.269       91.84100 185.9600 8.037780 196.1152 4.784307 -10.15524      9.353903 
1 1 1 7   12 17 o 101.4875 3.101404 504.9052       30.77282 563.5000       59.29461 483.3055       36.00064 107.0271 5.680329 99.25504 3.712080 7.772018       6.785696 
1 1 1 7   12 18 f 153.6599 3.584479 1156.724       53.91291 1228.000       106.1698 1131.959       62.58206 157.9639 6.883044 151.9191 4.212603 6.044785       8.069840 
1 1 1 7   12 19 o 202.1420 4.255858 2002.846       84.20734 1985.000       163.1260 2009.329       98.32002 200.6412 8.324171 202.4138 4.962444 -1.772583      9.691113 
1 1 1 7   12 20 o 259.6504 5.187688 3307.560       131.8466 3451.000       266.2480 3260.957       151.7610 264.0806 10.32002 257.7070 6.016279 6.373657       11.94564 
1 1 1 7   12 21 o 472.2231 10.32866 11025.90       477.4166 10650.00       803.1271 11231.32       593.7022 459.1261 17.90521 475.1583 12.77669 -16.03220      21.99637 
1 1 1 7   12 22 f 152.4931 4.123944 1140.885       61.49931 1360.000       111.0873 1044.050       73.84871 166.1646 6.844639 145.7668 5.184060 20.39772       8.586243 
1 1 1 7   12 23 o 107.6798 3.285565 568.6544       34.58932 538.5000       58.00568 585.2935       43.08827 104.5611 5.688967 109.1880 4.038563 -4.626968      6.976699 
1 1 1 7   12 24 o 177.9004 5.531606 1555.754       96.20693 1405.000       123.2363 1791.000       153.9451 168.7398 7.479899 190.3872 8.280598 -21.64743      11.15873 
1 1 1 7   12 25 o 165.1578 4.303878 1338.898       69.51765 1391.339       84.36801 1228.000       122.6889 168.2609 5.128562 157.5940 7.979490 10.66690       9.485484 
1 1 1 7   12 26 f 172.7215 3.851616 1462.958       65.11720 1437.909       88.38138 1492.702       96.30756 171.0059 5.286467 174.1782 5.656356 -3.172318      7.742163 
1 1 1 7   12 27 o 251.4014 5.060997 3104.615       124.5403 3143.973       175.5657 3064.751       176.6928 252.4410 7.112245 249.1983 7.251533 3.242706       10.15720 
1 1 1 7   12 28 o 82.50246 4.177626 334.9204       33.62690 289.1000       39.84656 448.3000       62.67998 76.49470 5.355571 95.11750 6.776668 -18.62280      8.637440 
1 1 1 7   12 29 o 167.9858 4.398582 1386.914       72.26329 1376.000       118.1335 1393.440       91.34727 166.7219 7.256304 168.1709 5.556936 -1.448944      9.139666 
1 1 1 7   12 30 o 147.9523 4.093510 1075.917       59.22516 920.6000       88.64065 1201.171       79.60076 136.3563 6.661433 156.1296 5.215979 -19.77330      8.460563 
1 1 1 7   12 31 o 186.8909 4.069878 1716.418       74.45191 1829.711       106.6551 1608.741       103.9778 192.5120 5.666178 180.4377 5.895089 12.07431       8.176653 
1 1 1 7   12 32 o 135.2228 4.076283 899.9905       53.89201 897.0000       90.77723 901.6182       66.97102 134.2842 6.929744 135.1363 5.072009 -0.8521118     8.587585 
1 1 1 7   12 33 o 121.2487 4.016265 724.2138       47.59987 734.7000       80.68645 718.6163       58.95088 121.3873 6.818210 120.5617 5.006346 0.8256302      8.458811 
1 1 1 7   12 34 o 65.79339 5.834466 216.2879       37.18502 195.3000       49.60913 243.2000       56.17613 61.80021 8.419724 69.05228 8.489760 -7.252071      11.95691 
1 1 1 7   12 35 o 94.51572 3.267411 439.7994       30.18287 475.4952       41.28891 398.8315       44.23305 98.07020 4.311744 89.62465 5.062706 8.445549       6.649973 
1 1 1 7   12 36 o 116.0131 3.355054 663.0661       38.05891 685.6678       52.43426 637.8998       55.32920 117.6493 4.561875 113.3330 4.999908 4.316299       6.768293 
1 1 1 7   12 37 o 53.38848 4.060242 141.6163       21.05894 149.1117       27.30573 130.6140       33.08245 54.54291 5.176541 50.55469 6.862463 3.988216       8.595928 
1 1 1 7   12 38 o 65.82567 3.982474 214.9479       25.53983 212.1432       30.45158 221.6000       46.89744 65.19448 4.805694 65.78548 7.411896 -0.5910034     8.833510 
1 1 1 7   12 39 o 34.81753 5.662607 62.09276       18.63584 48.34526       22.82591 89.57509       32.27327 30.24561 7.693251 41.15446 8.298400 -10.90885      11.31590 
1 1 1 7   12 40 o 94.76079 3.930764 445.2621       36.38044 448.2548       41.12891 434.5000       77.99397 94.91001 4.439500 91.25388 8.842481 3.656128       9.894373 
1 1 1 7   12 41 o 67.48096 4.334095 227.1750       28.47630 242.8936       31.66456 160.7000       65.11711 69.68102 4.669462 52.98783 12.71703 16.69318       13.54720 
1 1 1 7   12 42 o 75.44799 3.579382 282.3752       26.35856 282.8595       34.25334 281.6720       41.27393 75.15864 4.679263 74.59776 5.695607 0.5608749      7.371258 
1 1 1 7   12 43 o 84.42964 3.440467 353.6356       28.37317 360.1599       37.88531 345.3021       42.81727 84.76775 4.583023 82.65842 5.320325 2.109329       7.022105 
1 1 1 7   12 44 o 56.69337 4.003591 160.9580       22.07426 163.6068       28.81909 157.1979       34.33605 56.70457 5.251924 55.02624 6.500248 1.678329       8.356790 
1 1 1 7   12 45 o 24.81149 6.986824 32.99205       17.68547 33.50236       22.48247 32.16370       28.64417 25.16136 8.065141 25.43205 9.093009 -0.2706966     12.15440 
1 1 1 7   12 46 o 39.09690 8.149144 84.03974       30.17360 0.000000       0.000000 84.03974       30.17360 ?        ?        39.09690 8.149144 ?              ?        
1 1 1 7   12 47 o 53.08327 3.966214 141.7998       20.45923 127.3745       25.80916 166.1933       33.56195 49.71983 5.389274 56.44477 6.175246 -6.724941      8.196215 
1 1 1 7   12 48 o 76.68525 3.408766 293.4613       25.52281 273.2954       33.36420 321.9099       39.62805 73.38072 4.669293 79.37639 5.127849 -5.995667      6.935209 
1 1 1 7   12 49 o 50.00713 4.161807 126.6290       20.18688 115.9114       26.05438 142.7264       31.93070 47.11282 5.770142 51.97833 6.411711 -4.865509      8.625809 
1 1 1 7   12 50 o 82.42824 3.432743 339.7838       27.63580 325.4069       36.16491 359.9620       42.84447 79.96042 4.640622 83.66182 5.258520 -3.701401      7.013373 
1 1 1 7   12 51 o 56.20011 4.246772 160.5398       23.18871 168.6071       28.42826 144.5000       40.08516 57.12026 5.139463 50.73778 8.362423 6.382484       9.815508 
1 1 1 7   12 52 o 18.98069 7.503651 13.66057       20.62929 6.316183       22.67402 48.96000       49.70893 17.92991 7.559898 29.72121 11.67916 -11.79131      13.91240 
1 1 1 7   12 53 o 16.05184 6.837936 3.143016       18.87308 1.718000       26.30650 4.654397       27.09195 18.15648 7.905120 18.86963 8.118538 -0.7131538     11.33144 
1 1 1 7   12 54 o 14.80350 6.574634 -3.472525      19.04879 -25.96000      27.55721 17.10460       26.36072 14.89050 7.058567 20.99105 8.421310 -6.100556      10.98826 
1 1 1 7   12 55 o 56.36729 6.191208 169.3594       33.59766 0.000000       0.000000 169.3594       33.59766 ?        ?        56.36729 6.191208 ?              ?        
1 1 1 7   12 56 o 33.27936 7.539779 62.57315       23.98975 50.19000       44.38522 67.68351       28.51338 29.33881 11.16718 34.03929 8.565865 -4.700481      14.07409 
1 1 1 7   12 57 o 28.43053 8.103674 46.74762       23.64567 75.89000       45.96165 36.25806       27.57476 34.05119 11.55910 25.45466 8.938799 8.596529       14.61215 
1 1 1 7   12 58 o 62.07869 4.066947 196.5183       24.57644 223.0045       35.71042 172.6849       33.87485 64.94662 5.674287 56.69458 6.205461 8.252033       8.408643 
1 1 1 7   12 59 o 48.29799 4.810115 121.6442       22.43801 136.2846       33.33888 109.5212       30.33735 49.48229 7.085227 44.14982 7.273127 5.332470       10.15376 
1 1 1 7   12 60 o 15.03107 6.763664 -4.885620      20.87507 -15.71085      29.20904 6.416000       29.84483 16.26178 7.566694 19.39565 8.432601 -3.133869      11.32977 
1 1 1 7   13 0  o 400.6602 7.590823 7870.911       297.6949 8125.370       431.0592 7638.883       411.6213 406.5554 10.84173 394.2145 10.67724 12.34088       15.21666 
1 1 1 7   13 1  o 686.3333 18.16938 23313.33       1219.549 24320.00       1778.569 22420.00       1675.452 696.9011 26.11937 669.3765 25.61873 27.52454       36.58607 
1 1 1 7   13 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   13 3  o 471.5358 10.24246 10919.53       472.7428 10884.67       577.9767 10990.00       821.7015 470.2079 12.56909 471.0774 17.85263 -0.8695068     21.83343 
1 1 1 7   13 4  o 512.9442 11.11568 12931.00       558.1006 13134.88       691.4856 12550.00       945.2769 516.2365 13.69658 502.8887 19.23901 13.34775       23.61643 
1 1 1 7   13 5  o 372.3113 8.193604 6800.073       298.5983 7112.000       532.8962 6657.314       360.5090 379.5618 14.36941 368.0334 10.01675 11.52838       17.51614 
1 1 1 7   13 6  o 324.6298 6.256221 5165.116       198.7955 5085.000       393.0061 5192.663       230.4525 321.1663 12.52555 325.4151 7.234982 -4.248871      14.46493 
1 1 1 7   13 7  o 126.1575 3.865244 780.1215       47.67421 686.3000       78.54819 834.8408       59.98672 118.1151 6.823025 130.4651 4.705070 -12.35006      8.288025 
1 1 1 7   13 8  o 617.6365 16.43079 18892.81       992.4570 0.000000       0.000000 18892.81       992.4570 ?        ?        617.6365 16.43079 ?              ?        
1 1 1 7   13 9  o 186.7116 4.000792 1707.364       73.11784 1742.000       147.3327 1696.046       84.22122 188.2263 8.015079 186.0696 4.624235 2.156677       9.253381 
1 1 1 7   13 10 o 89.19280 3.830282 390.3332       33.36210 330.8000       52.91138 429.6211       42.98317 81.85908 6.661049 93.52522 4.710466 -11.66614      8.158313 
1 1 1 7   13 11 o 371.2319 7.075057 6761.882       257.0878 6776.000       513.5862 6757.162       296.9731 369.9376 14.20977 370.9445 8.179033 -1.006897      16.39555 
1 1 1 7   13 12 o 201.6394 4.241580 1991.847       83.71613 1967.000       164.0952 2000.589       97.33588 199.9148 8.404553 202.0468 4.921695 -2.132050      9.739590 
1 1 1 7   13 13 o 374.2321 7.133136 6875.052       261.2930 6897.000       521.8274 6867.707       301.8615 372.8554 14.32481 373.8411 8.249251 -0.9856873     16.53028 
1 1 1 7   13 14 o 272.7264 5.370552 3647.063       143.3680 3528.000       278.6731 3689.918       167.1910 267.2938 10.67269 274.2357 6.228490 -6.941833      12.35720 
1 1 1 7   13 15 o 111.1076 3.134866 605.0721       34.05921 537.9000       63.18259 632.5868       40.43753 104.5132 6.204096 113.5789 3.642020 -9.065697      7.194103 
1 1 1 7   13 16 o 184.2575 3.972123 1663.549       71.63974 1590.000       136.7318 1691.379       84.10859 179.6721 7.793214 185.7536 4.625907 -6.081467      9.062737 
1 1 1 7   13 17 o 39.74583 4.435525 78.39282       16.96233 9.171000       31.79354 105.9358       20.05500 22.47341 9.164030 46.27232 4.484009 -23.79891      10.20224 
1 1 1 7   13 18 o 157.9809 3.646941 1222.859       56.39485 1245.000       109.3116 1214.829       65.83236 159.0058 7.040853 157.3700 4.277739 1.635834       8.238486 
1 1 1 7   13 19 o 295.4796 5.784137 4286.010       167.2909 4499.000       341.9427 4218.988       191.8141 301.1297 11.62277 293.0102 6.687927 8.119507       13.40959 
1 1 1 7   13 20 o 69.61725 3.622709 238.1397       24.60139 263.4000       39.59536 222.2569       31.39708 73.04058 5.580521 67.14294 4.809150 5.897644       7.366827 
1 1 1 7   13 21 o 203.3761 4.920335 2029.306       97.94920 2178.000       173.3579 1959.577       118.7144 210.0257 8.449916 199.6302 6.082439 10.39554       10.41140 
1 1 1 7   13 22 o 110.3267 3.974297 597.4925       42.84864 0.000000       0.000000 597.4925       42.84864 ?        ?        110.3267 3.974297 ?              ?        
1 1 1 7   13 23 o 116.3044 4.661620 664.6924       52.96127 705.6000       69.21204 606.9000       82.26494 119.6906 5.926086 110.7372 7.636294 8.953461       9.665997 
1 1 1 7   13 24 o 181.7827 5.620498 1624.988       99.88754 1542.000       132.0464 1736.000       152.7233 176.7143 7.652073 187.3667 8.348315 -10.65231      11.32469 
1 1 1 7   13 25 f 139.7298 4.092749 958.4931       55.91677 1035.000       95.41996 918.4794       69.00698 144.8308 6.749444 136.6536 5.168318 8.177231       8.500971 
1 1 1 7   13 26 o 91.98495 3.154478 415.1734       28.36007 410.3939       36.39456 422.5623       45.25112 91.37387 4.079478 92.62109 5.009943 -1.247215      6.460779 
1 1 1 7   13 27 o 122.1101 3.976601 732.3728       47.46682 729.3000       78.20033 734.1654       59.72851 121.4737 6.601696 122.1323 5.006875 -0.6586533     8.285601 
1 1 1 7   13 28 o 85.58780 3.161406 359.6337       26.43938 361.5465       33.66477 356.5547       42.71144 85.73270 4.022868 84.99908 5.157897 0.7336197      6.541205 
1 1 1 7   13 29 o 147.2157 3.526113 1063.357       50.81087 1006.613       66.99889 1140.175       77.95372 143.0023 4.793277 152.1201 5.243166 -9.117798      7.103963 
1 1 1 7   13 30 o 115.5988 4.966102 659.0204       56.06099 0.000000       0.000000 659.0204       56.06099 ?        ?        115.5988 4.966102 ?              ?        
1 1 1 7   13 31 o 181.1702 4.602469 1616.720       81.55151 1475.000       128.0882 1713.331       105.7564 172.0793 7.623485 186.1573 5.811025 -14.07797      9.585694 
1 1 1 7   13 32 o 137.3510 3.976530 928.7363       53.40536 902.4000       83.65136 946.8563       69.38631 134.7735 6.358997 138.4175 5.130134 -3.643936      8.170381 
1 1 1 7   13 33 o 47.14868 3.915912 110.1588       17.90914 102.9302       21.49890 126.5477       32.37170 45.39771 4.916488 49.98902 6.791306 -4.591312      8.384134 
1 1 1 7   13 34 o 132.6062 4.133156 867.7394       53.58227 1021.000       97.89579 802.1874       64.02390 142.7680 7.026891 127.2025 5.152761 15.56551       8.713675 
1 1 1 7   13 35 o 148.3443 4.328018 1087.773       62.77716 1195.000       112.1070 1038.790       75.77122 154.0113 7.458768 144.5794 5.363460 9.431885       9.186943 
1 1 1 7   13 36 o 100.2059 4.106112 496.8906       40.18920 512.1000       70.22125 489.4820       49.00950 100.6128 7.177460 99.17115 5.065588 1.441650       8.784993 
1 1 1 7   13 37 o 31.97680 6.362207 52.97913       19.21276 53.70165       22.41741 50.98000       37.28902 31.99844 7.316926 31.62043 10.40577 0.3780174      12.72075 
1 1 1 7   13 38 o 28.62436 6.416392 42.75701       17.53212 29.53390       21.11567 72.10406       31.45720 24.28312 7.819273 36.73158 8.853791 -12.44846      11.81231 
1 1 1 7   13 39 o 125.3081 4.017926 778.3168       49.21820 777.7399       57.03260 780.0000       97.41705 124.9854 4.670057 123.0750 8.132044 1.910408       9.377610 
1 1 1 7   13 40 o 74.59478 4.135614 276.7892       30.07818 261.8765       33.21249 344.8000       70.92706 72.37627 4.713770 80.93489 9.111134 -8.558624      10.25828 
1 1 1 7   13 41 o 61.97356 4.492712 192.1551       27.06839 188.0219       29.57321 213.5000       67.20544 61.14707 4.984216 61.93398 11.50941 -0.7869148     12.54228 
1 1 1 7   13 42 o 56.48986 4.090995 159.4807       22.46742 151.9251       28.26909 172.4375       37.01929 54.72924 5.345038 57.80243 6.664872 -3.073193      8.543416 
1 1 1 7   13 43 o 41.23720 5.125386 86.79736       20.24299 109.6062       26.40451 54.27835       31.52787 46.08837 5.994961 31.44692 9.468447 14.64145       11.20674 
1 1 1 7   13 44 o 80.93106 3.574149 326.2335       28.24370 350.9104       38.07521 296.0425       42.11484 83.43002 4.681220 76.07249 5.697279 7.357529       7.373792 
1 1 1 7   13 45 o 22.43749 8.835376 19.16218       28.50050 0.000000       0.000000 19.16218       28.50050 ?        ?        22.43749 8.835376 ?              ?        
1 1 1 7   13 46 o 69.17900 3.563505 239.0853       24.04871 239.3951       31.36774 238.6437       37.45667 68.71641 4.691693 68.07050 5.673182 0.6459045      7.361860 
1 1 1 7   13 47 o 37.42305 5.246007 72.55238       18.68944 92.61245       24.66692 45.51565       28.63689 41.94323 6.194379 28.61733 9.094683 13.32590       11.00380 
1 1 1 7   13 48 o 51.48849 4.123255 134.0097       20.60698 118.8953       27.04317 154.9376       31.82185 47.68212 5.921421 54.42137 6.077408 -6.739246      8.485170 
1 1 1 7   13 49 o 28.58253 6.594703 44.40389       18.07500 54.72810       23.87696 30.54635       27.66265 31.29638 7.817725 24.54113 8.914747 6.755251       11.85705 
1 1 1 7   13 50 o 47.84597 4.688413 117.3696       21.67566 102.5898       26.33661 148.4000       38.16093 43.91228 6.308116 51.99501 7.733156 -8.082722      9.979681 
1 1 1 7   13 51 o 44.45304 5.633402 103.9094       23.96235 116.3956       26.94074 56.62000       52.42952 46.86525 6.011135 31.13946 12.06361 15.72579       13.47830 
1 1 1 7   13 52 o 50.63186 4.259484 130.8289       20.91439 158.4053       28.08683 96.50828       31.33364 55.17241 5.264610 41.32524 8.035649 13.84716       9.606653 
1 1 1 7   13 53 o 56.90658 3.975718 164.2118       22.00614 182.8363       30.13726 142.9390       32.20866 59.31852 5.244448 51.58989 6.523883 7.728638       8.370501 
1 1 1 7   13 54 o 21.44584 7.315949 24.18605       18.41456 33.96594       25.40350 13.35695       26.73147 24.84822 8.588803 20.29975 8.354300 4.548475       11.98173 
1 1 1 7   13 55 o 16.71657 7.132389 3.821339       20.59096 -12.17000      32.78029 14.24333       26.46341 17.99580 8.244577 20.38899 8.342900 -2.393190      11.72932 
1 1 1 7   13 56 o 34.26178 6.952461 65.17905       22.51819 62.84000       35.90522 66.69553       28.91049 31.87868 10.18953 33.62479 8.713615 -1.746115      13.40722 
1 1 1 7   13 57 o 34.20792 7.053304 65.26415       22.83210 57.54000       37.37991 69.86102       28.83659 30.55057 10.42336 34.48259 8.578621 -3.932026      13.49960 
1 1 1 7   13 58 o 40.02686 7.808115 91.63058       29.49277 0.000000       0.000000 91.63058       29.49277 ?        ?        40.02686 7.808115 ?              ?        
1 1 1 7   13 59 o 44.36552 6.871912 109.5134       28.87791 145.1000       49.06310 90.65000       35.72082 47.24147 10.84055 38.13488 9.582542 9.106594       14.46868 
1 1 1 7   14 0  o 214.7729 6.323114 2262.925       132.7834 2129.000       183.2429 2411.000       192.6805 208.0535 9.019426 221.4411 8.907596 -13.38760      12.67657 
1 1 1 7   14 1  o 276.1234 6.301001 3737.174       170.3017 3614.979       205.0374 4009.000       305.8104 271.3586 7.727264 285.3413 10.96960 -13.98279      13.41800 
1 1 1 7   14 2  o 241.4316 5.653759 2856.305       133.6096 2852.798       164.9241 2863.000       227.9041 241.1030 6.995759 241.2343 9.671373 -0.1312866     11.93634 
1 1 1 7   14 3  o 144.4585 4.037715 1022.781       57.03727 1257.000       110.9847 938.7184       66.48955 159.9440 7.106813 138.3398 4.918034 21.60420       8.642560 
1 1 1 7   14 4  o 297.3795 6.707741 4336.112       195.2511 4549.000       348.6196 4238.813       235.6836 303.7905 11.74601 293.7762 8.204122 10.01431       14.32747 
1 1 1 7   14 5  o 179.4492 5.574918 1579.615       97.80458 1670.000       143.4003 1501.000       133.7378 184.3028 7.967813 174.7236 7.839781 9.579163       11.17802 
1 1 1 7   14 6  o 172.1244 4.435097 1452.201       74.66030 1424.000       128.0708 1466.718       91.88960 170.1786 7.708468 172.9169 5.435786 -2.738388      9.432298 
1 1 1 7   14 7  o 90.42041 3.547374 400.9862       31.33547 0.000000       0.000000 400.9862       31.33547 ?        ?        90.42041 3.547374 ?              ?        
1 1 1 7   14 8  o 249.6373 4.997745 3053.693       122.1208 2905.000       235.9428 3108.104       142.7261 242.8447 9.946999 251.7988 5.790864 -8.954132      11.50986 
1 1 1 7   14 9  o 233.2686 4.720998 2666.180       107.7944 2450.000       204.6801 2749.153       126.8046 223.0366 9.396526 236.8238 5.470201 -13.78723      10.87280 
1 1 1 7   14 10 o 222.4577 4.548286 2424.756       99.03790 2354.000       194.2250 2449.618       115.1301 218.6268 9.095889 223.5520 5.261435 -4.925186      10.50799 
1 1 1 7   14 11 o 420.1714 7.954301 8672.796       327.1408 8936.000       666.4247 8589.235       375.4965 423.7591 16.09593 417.8826 9.180056 5.876526       18.52977 
1 1 1 7   14 12 o 100.4537 3.066479 494.6207       30.11642 507.5000       61.12120 490.4913       34.60938 101.5207 6.180068 100.0075 3.541124 1.513260       7.122696 
1 1 1 7   14 13 o 143.2968 3.411250 1005.763       47.84717 978.5000       93.76727 1015.361       55.63555 141.0105 6.813667 143.9051 3.953499 -2.894638      7.877577 
1 1 1 7   14 14 o 215.6930 4.443802 2280.199       93.82033 2256.000       185.0346 2288.574       108.8502 213.9090 8.856418 216.0356 5.147515 -2.126617      10.24368 
1 1 1 7   14 15 o 95.21637 3.085721 444.4996       28.72107 382.4000       53.83640 469.2052       33.95698 88.03783 6.288833 97.80196 3.553019 -9.764130      7.223113 
1 1 1 7   14 16 o 174.9716 3.859129 1500.156       66.09416 1494.000       129.2686 1502.335       76.90677 174.1461 7.601872 175.0037 4.493352 -0.8575745     8.830553 
1 1 1 7   14 17 o 87.73220 3.565380 377.7393       30.55381 348.9000       49.87259 395.0668       38.65789 84.07697 6.101604 89.66071 4.418447 -5.583733      7.533409 
1 1 1 7   14 18 f 134.6262 3.381609 888.5219       44.52617 757.0000       79.51142 948.6103       53.74346 123.9479 6.577210 139.0648 3.952236 -15.11693      7.673321 
1 1 1 7   14 19 o 29.14459 6.246309 43.32419       17.28347 111.2000       31.35993 13.71276       20.71320 47.04438 7.025136 20.03631 7.628117 27.00807       10.37018 
1 1 1 7   14 20 o 192.6930 4.161469 1820.467       78.49078 1795.000       150.3499 1830.008       92.02679 190.7041 8.072725 193.0724 4.873435 -2.368225      9.429701 
1 1 1 7   14 21 o 135.3114 3.456780 897.8177       45.74637 1021.000       90.45406 855.4825       53.02789 143.9719 6.434916 132.0270 4.108321 11.94498       7.634556 
1 1 1 7   14 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   14 23 o 113.7224 3.793193 634.7564       42.16471 677.6000       67.90559 607.8727       53.79078 117.2664 5.935265 111.1718 4.955644 6.094658       7.732126 
1 1 1 7   14 24 o 182.0582 5.694673 1630.712       101.3563 1610.000       139.3182 1654.000       147.7304 180.4594 7.906378 182.8257 8.276646 -2.366318      11.44612 
1 1 1 7   14 25 o 244.0450 4.935721 2924.867       117.9035 2855.891       162.3634 3001.817       171.4924 240.6607 6.899621 246.6808 7.109789 -6.020065      9.907265 
1 1 1 7   14 26 o 272.2262 5.415964 3643.734       144.3151 3847.764       208.8762 3457.381       199.6230 278.9997 7.655784 264.4347 7.720600 14.56500       10.87284 
1 1 1 7   14 27 f 80.38265 3.189606 317.2888       25.04624 295.7786       31.23300 356.0431       41.92284 77.51508 4.131358 84.95316 5.064550 -7.438080      6.535884 
1 1 1 7   14 28 o 127.3834 3.355232 796.4728       41.79874 851.5704       57.10292 732.8745       61.35001 131.5768 4.440127 121.9423 5.151497 9.634483       6.800931 
1 1 1 7   14 29 o 87.25725 3.173277 373.9867       27.05776 380.6782       34.57734 363.4164       43.45830 87.93884 4.027720 85.74969 5.202137 2.189148       6.579115 
1 1 1 7   14 30 o 66.37945 3.319844 216.8095       21.50190 210.5157       26.40406 229.2000       37.04753 65.30657 4.152048 67.92457 5.622517 -2.617996      6.989435 
1 1 1 7   14 31 o 106.5608 3.951460 559.1884       41.14418 607.7000       68.82602 532.2115       51.32467 110.5558 6.387308 103.7468 5.069464 6.808990       8.154579 
1 1 1 7   14 32 o 151.3942 4.168781 1129.618       61.71788 1083.000       97.12212 1161.194       79.93217 147.4033 6.749300 153.1571 5.340024 -5.753784      8.606329 
1 1 1 7   14 33 o 56.72400 3.984206 159.2737       21.98082 138.7000       28.29650 190.5783       34.90442 52.61420 5.579379 61.70187 5.849154 -9.087666      8.083445 
1 1 1 7   14 34 o 181.9370 4.667932 1637.530       83.06018 1615.000       135.7738 1651.004       105.0002 178.9977 7.767792 182.1053 5.898403 -3.107697      9.753448 
1 1 1 7   14 35 o 119.3667 3.846339 703.6198       44.88174 720.7000       69.85104 691.6100       58.57275 120.0629 5.962365 117.9495 5.085279 2.113434       7.836445 
1 1 1 7   14 36 o 118.1636 3.759823 689.7694       43.43145 641.2768       50.44019 828.8000       85.40713 113.6860 4.541909 128.2007 6.830747 -14.51466      8.202929 
1 1 1 7   14 37 o 62.49063 4.910162 195.2650       29.79318 223.2000       50.52100 180.3702       36.89062 65.74294 8.016417 59.59242 6.425857 6.150524       10.27398 
1 1 1 7   14 38 o 90.97343 5.426105 414.8940       48.09846 497.0000       65.43678 318.4000       70.93888 98.94894 6.797528 77.72722 9.522754 21.22173       11.69997 
1 1 1 7   14 39 o 25.69040 9.978054 24.80866       35.93829 75.67000       45.54911 -59.07000      58.49406 37.20218 11.41767 21.66828 10.27507 15.53390       15.36035 
1 1 1 7   14 40 f 15.92835 6.594537 4.194701       16.79022 -9.248892      20.01893 36.08384       30.83221 14.61561 6.595925 27.15534 9.457935 -12.53972      11.53078 
1 1 1 7   14 41 o 49.53392 4.305463 122.9685       20.66795 131.2829       25.76196 107.9520       34.62162 50.91315 5.244367 45.04922 8.151527 5.863934       9.692822 
1 1 1 7   14 42 o 110.4739 4.029037 608.0875       43.49495 621.2283       50.08866 567.8000       87.70284 111.3617 4.605062 103.4180 8.745771 7.943687       9.884084 
1 1 1 7   14 43 o 55.88557 4.114469 156.6609       22.34932 160.4117       28.97095 151.1477       35.12368 56.09667 5.340538 53.77246 6.826864 2.324207       8.667607 
1 1 1 7   14 44 f 34.48846 9.054058 66.72909       30.94745 0.000000       0.000000 66.72909       30.94745 ?        ?        34.48846 9.054058 ?              ?        
1 1 1 7   14 45 o 94.47171 3.347050 444.1413       30.90178 421.1723       40.53660 476.0077       47.74668 91.35658 4.547457 96.79359 5.057074 -5.437019      6.800982 
1 1 1 7   14 46 f 24.66544 6.972660 32.86047       17.57871 20.71914       22.45363 52.08529       28.25429 21.44519 7.989910 30.43582 8.914191 -8.990631      11.97086 
1 1 1 7   14 47 o 35.18621 5.481219 64.66085       18.26325 83.23318       24.11838 39.69714       27.96208 39.58155 6.446811 27.01308 9.015213 12.56847       11.08311 
1 1 1 7   14 48 o 47.07917 4.437471 112.8765       20.20773 124.3653       26.43989 96.73867       31.33595 48.87965 5.628839 41.82594 7.944460 7.053719       9.736442 
1 1 1 7   14 49 o 44.36151 4.986667 101.5357       21.27869 109.0752       26.57277 88.06000       35.52542 45.42671 6.132618 38.86437 9.434693 6.562340       11.25266 
1 1 1 7   14 50 o 16.06985 7.063220 -1.730868      21.44368 -8.403522      23.40774 33.10000       53.48012 15.68883 7.101311 27.96340 11.68867 -12.27457      13.67676 
1 1 1 7   14 51 o 29.24413 6.736166 47.09441       18.88470 48.18288       25.19213 45.69811       28.53274 28.96681 8.398364 28.16355 9.091252 0.8032570      12.37673 
1 1 1 7   14 52 o 35.81499 5.789793 68.31744       19.60492 63.02225       26.21148 75.04121       29.53645 33.16600 8.136493 36.03170 8.511157 -2.865696      11.77465 
1 1 1 7   14 53 o 39.08886 5.406851 80.49010       20.13394 51.52919       27.85906 112.1556       29.13087 29.63397 8.895540 45.42114 6.757754 -15.78718      11.17130 
1 1 1 7   14 54 o 53.91833 4.225324 148.4120       22.12188 164.1963       30.79915 131.5907       31.79473 55.80378 5.719406 49.20447 6.781694 6.599308       8.871470 
1 1 1 7   14 55 f 18.16056 7.227880 12.09343       19.26283 24.49644       27.28913 -0.2238131     27.19461 22.69264 8.726615 18.01343 7.934478 4.679209       11.79448 
1 1 1 7   14 56 o 33.83600 6.448930 62.68688       20.57911 31.15559       28.92020 95.02931       29.28983 24.31956 9.066385 41.11335 7.556643 -16.79379      11.80264 
1 1 1 7   14 57 o 18.65956 7.295192 14.35323       19.31168 -10.49019      27.96602 36.99762       26.69964 16.69335 7.635553 25.49849 8.805576 -8.805138      11.65504 
1 1 1 7   14 58 o 47.17324 5.342935 117.6583       24.23685 116.1076       31.82386 119.8000       37.39938 45.38359 7.420042 44.94083 8.816999 0.4427528      11.52374 
1 1 1 7   14 59 o 23.62573 9.323310 28.23722       31.79619 56.24000       42.77521 -6.342000      47.53343 29.54746 11.02413 21.48332 9.873965 8.064146       14.79955 
1 1 1 7   15 0  o 261.4286 7.393858 3355.974       189.0141 3390.000       271.5591 3324.000       263.2471 262.2972 10.59888 259.7640 10.37416 2.533173       14.83103 
1 1 1 7   15 1  o 164.1836 5.236910 1322.290       84.05341 0.000000       0.000000 1322.290       84.05341 ?        ?        164.1836 5.236910 ?              ?        
1 1 1 7   15 2  o 218.1932 4.492660 2332.220       95.95132 2705.000       211.9153 2236.087       107.6144 234.4457 9.252679 213.6174 5.146684 20.82829       10.58775 
1 1 1 7   15 3  o 517.2798 11.22883 13174.60       568.5466 0.000000       0.000000 13174.60       568.5466 ?        ?        517.2798 11.22883 ?              ?        
1 1 1 7   15 4  o 283.8356 6.436964 3950.854       178.8357 3980.000       311.2370 3936.489       218.5088 284.0782 11.21505 283.0656 7.894049 1.012604       13.71472 
1 1 1 7   15 5  f 161.3303 5.253026 1276.941       82.84232 0.000000       0.000000 1276.941       82.84232 ?        ?        161.3303 5.253026 ?              ?        
1 1 1 7   15 6  o 241.4160 5.637401 2857.144       133.2144 2965.000       235.7941 2806.579       161.4489 245.3188 9.839611 239.0717 6.906473 6.247162       12.02154 
1 1 1 7   15 7  o 173.3642 4.407534 1473.462       74.73242 1644.000       138.4880 1403.398       88.76621 182.8138 7.756846 169.1183 5.369101 13.69548       9.433764 
1 1 1 7   15 8  o 222.6419 4.560271 2428.922       99.38110 2345.000       194.2601 2458.672       115.6628 218.1811 9.116293 223.9556 5.276254 -5.774567      10.53307 
1 1 1 7   15 9  o 297.1408 5.791769 4330.053       168.4534 4155.000       327.7405 4392.901       196.3785 289.9591 11.57071 299.1850 6.705758 -9.225922      13.37343 
1 1 1 7   15 10 o 294.0092 5.737680 4239.618       165.1214 4198.000       327.3965 4253.815       191.2232 291.4041 11.50074 294.3949 6.635965 -2.990814      13.27792 
1 1 1 7   15 11 o 141.4332 3.406810 979.7761       47.16346 975.6000       94.17771 981.1741       54.48847 140.7949 6.854282 141.4604 3.939004 -0.6655426     7.905501 
1 1 1 7   15 12 o 170.9679 3.808906 1432.070       63.74133 1328.000       121.5730 1471.525       74.85502 164.2090 7.584175 173.2194 4.418480 -9.010361      8.777395 
1 1 1 7   15 13 o 282.4590 5.548493 3913.840       153.4040 3971.000       308.2897 3895.030       176.8532 283.3002 11.13918 281.6686 6.414579 1.631561       12.85411 
1 1 1 7   15 14 o 175.0511 3.842016 1501.474       65.83099 1568.000       133.5197 1480.109       75.66737 178.4124 7.663518 173.7093 4.453873 4.703110       8.863774 
1 1 1 7   15 15 o 233.0874 4.732164 2664.035       107.9654 2519.000       206.8697 2718.329       126.5705 225.8361 9.378716 235.3728 5.493765 -9.536682      10.86930 
1 1 1 7   15 16 o 224.0020 4.592422 2460.423       100.6932 2529.000       202.7532 2437.972       116.0109 226.2762 9.173265 222.9053 5.317070 3.370895       10.60283 
1 1 1 7   15 17 o 153.2860 4.277458 1152.853       64.11647 1066.000       101.3391 1210.827       82.79468 147.0684 7.060277 156.9810 5.396292 -9.912552      8.886365 
1 1 1 7   15 18 o 132.8278 3.816053 865.4534       49.56319 809.0000       82.28844 897.5930       62.08887 128.1243 6.583545 135.1953 4.699013 -7.071030      8.088497 
1 1 1 7   15 19 o 201.7797 4.289469 1996.496       84.72024 2047.000       167.7764 1979.211       98.15317 203.5832 8.437719 200.8356 4.992951 2.747574       9.804319 
1 1 1 7   15 20 f 86.53404 3.894214 367.8298       32.90022 0.000000       0.000000 367.8298       32.90022 ?        ?        86.53404 3.894214 ?              ?        
1 1 1 7   15 21 o 160.9551 4.275249 1271.457       67.29576 1280.000       113.3110 1266.801       83.64539 161.0831 7.204704 160.5356 5.330489 0.5475159      8.962247 
1 1 1 7   15 22 o 228.9294 4.725990 2572.006       105.9011 2637.000       209.7096 2549.757       122.6950 230.7144 9.305280 227.8262 5.501953 2.888199       10.81017 
1 1 1 7   15 23 f 173.3375 4.565786 1475.603       77.39915 0.000000       0.000000 1475.603       77.39915 ?        ?        173.3375 4.565786 ?              ?        
1 1 1 7   15 24 o 55.07788 4.680523 149.9922       24.99474 139.7000       34.51680 161.3391       36.24209 52.82184 6.836077 56.86037 6.636380 -4.038532      9.527512 
1 1 1 7   15 25 o 166.7339 4.473028 1365.862       72.93554 1532.000       127.7760 1285.570       88.82837 176.0046 7.433580 161.5719 5.625261 14.43274       9.322106 
1 1 1 7   15 26 o 237.3005 4.844635 2767.279       112.5294 2979.464       163.5916 2576.713       155.0341 245.6486 6.810200 228.3899 6.943028 17.25874       9.725454 
1 1 1 7   15 27 o 138.1603 3.467749 937.0039       46.85908 1017.611       65.24899 851.1534       67.33786 143.8171 4.641154 131.4175 5.245337 12.39967       7.003846 
1 1 1 7   15 28 o 61.11626 3.529082 183.9273       21.02199 187.4274       25.77332 176.9704       36.33586 61.60687 4.301018 59.53667 6.332140 2.070194       7.654722 
1 1 1 7   15 29 o 217.8154 4.527797 2334.327       96.53432 2359.720       134.8645 2307.647       138.2383 218.3618 6.316426 215.8468 6.550575 2.514923       9.099851 
1 1 1 7   15 30 o 171.1536 3.856158 1440.122       64.60219 1487.938       89.86945 1388.993       92.92999 173.5488 5.296547 167.5580 5.674291 5.990860       7.762151 
1 1 1 7   15 31 o 65.18551 3.341591 209.3174       21.25000 190.6635       25.61056 250.5401       38.07176 62.07806 4.240236 70.96080 5.524738 -8.882736      6.964361 
1 1 1 7   15 32 o 71.52306 3.254102 251.9416       22.72188 237.3097       27.99087 280.2127       38.90795 69.27299 4.147048 75.05647 5.330641 -5.783478      6.753795 
1 1 1 7   15 33 o 66.94328 3.394269 221.0289       22.16868 221.8269       27.53273 219.5577       37.38162 66.92352 4.224606 66.22705 5.825875 0.6964645      7.196396 
1 1 1 7   15 34 o 75.14670 3.732942 279.0470       27.37195 251.8000       37.20429 311.1984       40.41418 70.99754 5.393936 79.00794 5.255730 -8.010399      7.531085 
1 1 1 7   15 35 o 89.90044 4.210628 400.4930       36.94933 385.1000       46.17407 427.9000       61.61213 87.80302 5.398679 92.00002 6.891916 -4.197006      8.754670 
1 1 1 7   15 36 o 73.95716 3.811799 270.8622       27.50101 253.9000       37.30131 291.0622       40.70595 71.17818 5.394064 76.20319 5.494194 -5.025002      7.699487 
1 1 1 7   15 37 o 103.0381 4.608126 528.2953       46.35838 520.0000       56.33277 545.7000       81.59806 101.7932 5.676224 102.9514 8.164121 -1.158241      9.943460 
1 1 1 7   15 38 o 82.27527 3.946028 335.8878       31.68603 339.4000       43.97758 332.0962       45.69326 82.18158 5.498658 81.17455 5.788761 1.007027       7.984046 
1 1 1 7   15 39 o 28.09196 7.143117 41.71807       19.68263 38.35000       24.74151 47.52404       32.48425 27.15038 8.429326 30.13995 9.697779 -2.989576      12.84914 
1 1 1 7   15 40 o 104.9484 4.175716 548.0764       42.81001 546.4000       69.60352 549.0964       54.29408 103.3196 6.922377 104.5106 5.325000 -1.190979      8.733552 
1 1 1 7   15 41 o 71.92508 4.675966 259.7015       32.74141 265.3000       54.02554 256.4517       41.16151 71.10137 7.895715 70.91008 5.986167 0.1912918      9.908406 
1 1 1 7   15 42 o 19.78775 8.093150 9.944883       24.88846 -46.96000      41.82680 41.13732       30.96739 17.89422 8.542606 28.05262 9.488372 -10.15840      12.76735 
1 1 1 7   15 43 o 64.91873 11.51429 244.7000       70.48768 0.000000       0.000000 244.7000       70.48768 ?        ?        64.91873 11.51429 ?              ?        
1 1 1 7   15 44 o 16.31413 6.632488 6.793535       16.59439 9.830965       20.54047 1.085572       28.15774 18.34914 7.408324 18.97761 8.221159 -0.6284637     11.06665 
1 1 1 7   15 45 o 88.14193 3.331768 386.8871       28.69333 376.5176       37.13721 402.2456       45.19657 86.39682 4.405972 88.77763 5.224198 -2.380806      6.834094 
1 1 1 7   15 46 o 61.26220 3.592752 187.8737       21.44942 165.1775       27.19480 225.2360       34.89206 56.86527 4.934563 66.18179 5.434009 -9.316521      7.340189 
1 1 1 7   15 47 o 12.97031 5.871104 -7.198822      16.00242 -1.213994      20.32111 -16.96859      25.96352 15.85767 6.925286 15.54096 7.197728 0.3167133      9.988337 
1 1 1 7   15 48 o 19.01284 7.196135 15.42104       18.36818 3.298137       22.62339 38.87000       31.46417 17.45683 7.462921 26.86274 9.538055 -9.405909      12.11073 
1 1 1 7   15 49 o 30.63191 7.616298 52.45665       22.73937 46.61159       25.20076 78.07000       52.75363 28.66161 8.425319 35.13317 12.36162 -6.471558      14.95980 
1 1 1 7   15 50 f 23.26520 7.257735 29.56219       18.31788 20.97205       24.12369 41.25977       28.15088 21.49697 8.220511 27.00343 9.046197 -5.506458      12.22336 
1 1 1 7   15 51 o 43.42049 4.789616 97.52867       20.01859 75.23222       26.24690 128.5368       30.95265 36.63400 7.570078 48.78759 6.654906 -12.15359      10.07938 
1 1 1 7   15 52 o 28.61112 6.884218 45.41122       19.04444 75.62184       25.84099 9.494083       28.17605 36.82077 7.426409 19.96009 8.422242 16.86067       11.22879 
1 1 1 7   15 53 o 15.76872 6.730743 2.865296       18.35062 -7.808514      25.41850 14.48418       26.51993 16.35992 7.403046 20.46643 8.360503 -4.106516      11.16705 
1 1 1 7   15 54 o 24.46068 7.374475 33.42751       19.11595 35.99060       26.78015 30.76486       27.29527 25.40803 8.816597 24.14595 8.842391 1.262079       12.48680 
1 1 1 7   15 55 o 29.80460 6.983479 49.70093       20.01491 48.88028       27.94559 50.56524       28.67940 28.77753 8.962367 29.19777 9.077061 -0.4202385     12.75606 
1 1 1 7   15 56 o 16.62015 6.964612 5.960127       19.05888 -23.43513      27.25605 34.08479       26.66048 14.98263 7.077665 24.81881 8.782971 -9.836180      11.27980 
1 1 1 7   15 57 o 24.13418 7.908964 32.87506       21.55041 36.15614       28.90711 28.77000       32.33372 25.32647 9.124955 24.03190 9.426610 1.294573       13.11967 
1 1 1 7   15 58 o 17.56597 7.631763 3.333659       24.40973 0.9277986      28.47918 9.994000       47.38496 18.28206 8.083337 23.21446 10.33628 -4.932398      13.12170 
1 1 1 7   16 0  o 624.9904 11.69130 19261.41       715.2244 21400.00       1543.534 18676.68       807.1000 650.3373 24.29042 614.7028 13.41393 35.63452       27.74812 
1 1 1 7   16 1  o 160.8917 4.208277 1269.013       66.21725 0.000000       0.000000 1269.013       66.21725 ?        ?        160.8917 4.208277 ?              ?        
1 1 1 7   16 2  o 409.8897 8.987889 8259.944       360.6043 0.000000       0.000000 8259.944       360.6043 ?        ?        409.8897 8.987889 ?              ?        
1 1 1 7   16 3  o 235.9186 6.790088 2733.391       156.6361 0.000000       0.000000 2733.391       156.6361 ?        ?        235.9186 6.790088 ?              ?        
1 1 1 7   16 4  o 431.1394 9.437282 9144.896       398.2638 0.000000       0.000000 9144.896       398.2638 ?        ?        431.1394 9.437282 ?              ?        
1 1 1 7   16 5  o 308.1410 8.532905 4671.048       257.1191 0.000000       0.000000 4671.048       257.1191 ?        ?        308.1410 8.532905 ?              ?        
1 1 1 7   16 6  o 159.4947 4.270649 1247.315       66.61245 1228.000       114.9694 1257.075       81.72822 157.9524 7.457235 160.0445 5.224051 -2.092072      9.105002 
1 1 1 7   16 7  o 110.9260 4.668497 604.1243       50.57601 0.000000       0.000000 604.1243       50.57601 ?        ?        110.9260 4.668497 ?              ?        
1 1 1 7   16 8  o 302.5074 5.890737 4489.279       174.4263 4801.000       364.2743 4396.545       198.6844 311.4604 11.97096 299.2515 6.782990 12.20889       13.75910 
1 1 1 7   16 9  o 293.8693 5.746950 4236.503       165.3095 4122.000       324.1220 4276.760       192.1844 288.6317 11.49550 295.1442 6.652388 -6.512573      13.28160 
1 1 1 7   16 10 o 222.1443 4.554477 2418.885       99.03302 2617.000       207.9448 2360.769       112.6256 230.3293 9.242202 219.4046 5.244274 10.92473       10.62642 
1 1 1 7   16 11 o 202.6778 4.257909 2013.238       84.47121 1873.000       161.9504 2065.649       99.00540 194.9020 8.509565 205.2504 4.927978 -10.34834      9.833497 
1 1 1 7   16 12 o 52.44898 3.670400 135.4359       18.72435 79.71000       42.05276 149.2157       20.91166 39.51273 10.63835 55.04487 3.906580 -15.53215      11.33296 
1 1 1 7   16 13 o 203.0462 4.268157 2020.860       84.82843 2015.000       168.4248 2022.852       98.19204 202.1085 8.532836 203.0931 4.939408 -0.9846344     9.859363 
1 1 1 7   16 14 o 42.09268 4.079585 87.65524       16.59800 -9.410000      38.55862 109.7319       18.38891 21.65858 9.497002 47.14600 4.023192 -25.48741      10.31402 
1 1 1 7   16 15 o 184.1948 3.987485 1662.952       71.89234 1779.000       147.5703 1626.838       82.32212 189.9278 7.955491 182.0787 4.622773 7.849091       9.201079 
1 1 1 7   16 16 o 228.6728 5.360851 2566.495       119.9926 2553.000       207.0967 2573.315       147.2229 227.2307 9.330927 228.7182 6.582947 -1.487549      11.41934 
1 1 1 7   16 17 o 177.6651 4.462476 1548.975       77.54259 1502.000       131.9891 1573.734       95.82271 174.4762 7.747830 178.9596 5.476697 -4.483337      9.488050 
1 1 1 7   16 18 o 233.6893 4.776634 2679.293       109.2614 2847.000       223.6082 2626.694       125.2292 239.8295 9.544369 231.2873 5.531559 8.542175       11.03146 
1 1 1 7   16 19 o 287.8194 5.679866 4068.987       160.0163 4252.000       325.7005 4010.757       183.7176 292.4150 11.40107 285.5779 6.572337 6.837097       13.15979 
1 1 1 7   16 20 f 134.3543 3.995039 885.8853       52.48028 897.9000       88.18204 879.2960       65.30443 134.9291 6.697735 133.7492 4.997003 1.179901       8.356416 
1 1 1 7   16 21 o 102.7935 3.909435 518.8794       39.26392 505.5000       61.61163 528.0291       50.95033 101.1915 6.250832 103.5832 5.040308 -2.391754      8.029794 
1 1 1 7   16 22 o 253.9654 5.114037 3167.934       127.1290 3555.000       270.3039 3057.996       144.0561 267.3720 10.34787 249.3724 5.901698 17.99965       11.91253 
1 1 1 7   16 23 o 72.71661 3.872763 260.0772       27.46576 281.2000       43.88298 246.4738       35.21638 75.37039 5.997680 70.64805 5.127484 4.722343       7.890707 
1 1 1 7   16 24 o 108.3995 3.892230 577.2191       41.23125 619.5000       65.40315 549.3329       53.11549 112.0290 5.986068 105.5958 5.154452 6.433250       7.899455 
1 1 1 7   16 25 o 190.5903 4.720957 1784.773       88.07181 1911.465       109.7826 1556.000       147.5231 196.9814 5.699790 176.9723 8.541474 20.00911       10.26861 
1 1 1 7   16 26 o 87.58500 3.932287 377.3353       33.62577 416.4000       51.78128 348.8496       44.21748 91.75612 5.795030 84.01375 5.405654 7.742371       7.924864 
1 1 1 7   16 27 o 100.0147 3.637253 491.6668       35.54836 517.0547       41.33090 419.5000       69.68361 102.5054 4.127727 91.62510 7.845228 10.88033       8.864859 
1 1 1 7   16 28 o 135.8607 3.428957 906.6904       45.56327 915.8454       61.30995 895.3970       68.09528 136.3461 4.600493 134.6963 5.174443 1.649841       6.923829 
1 1 1 7   16 29 o 80.30052 3.224764 317.0700       25.29521 318.9548       31.67633 313.7526       42.02386 80.43279 4.036320 79.53686 5.430431 0.8959274      6.766200 
1 1 1 7   16 30 o 154.4285 3.637102 1172.521       54.97802 1162.487       74.04719 1184.848       82.07190 153.3936 4.938118 154.7127 5.427949 -1.319092      7.338095 
1 1 1 7   16 31 o 189.5185 4.126575 1769.684       76.55042 1786.840       105.7269 1750.781       110.9814 189.7780 5.698039 187.6906 6.048797 2.087372       8.309969 
1 1 1 7   16 32 o 110.7042 3.223044 603.0892       34.88784 590.8588       45.32798 620.8647       54.64586 109.3562 4.242690 111.8988 5.001781 -2.542572      6.558829 
1 1 1 7   16 33 o 120.7823 3.298185 718.4476       38.95631 698.5049       50.89840 746.6522       60.53011 118.8091 4.384233 122.6218 5.053931 -3.812721      6.690570 
1 1 1 7   16 34 o 75.73041 3.574121 283.3688       26.41914 258.7798       29.87822 371.5000       56.56516 72.21970 4.245341 85.74131 6.795424 -13.52161      8.012534 
1 1 1 7   16 35 o 85.37532 3.268270 359.6364       27.26175 346.9338       34.09199 382.1643       45.40125 83.63719 4.177569 87.43676 5.330104 -3.799568      6.772156 
1 1 1 7   16 36 o 63.12067 4.045096 197.9612       24.86078 202.3938       27.09861 174.4000       62.47651 63.74740 4.369305 56.25841 11.72618 7.488987       12.51376 
1 1 1 7   16 37 o 48.03908 4.229188 115.2889       19.68366 125.9949       23.63669 91.06636       35.55346 50.07262 4.884621 41.18238 9.065918 8.890232       10.29808 
1 1 1 7   16 38 o 30.47563 6.263615 48.44993       18.05964 49.90491       21.49798 44.96097       33.29026 30.71561 7.265040 29.60506 9.835581 1.110554       12.22781 
1 1 1 7   16 39 o 75.22693 4.005867 281.5460       29.39053 269.2000       40.58989 295.1533       42.61283 72.93583 5.731543 76.38520 5.741364 -3.449371      8.112573 
1 1 1 7   16 40 o 21.52499 7.564249 21.72276       19.74870 31.83000       24.86821 4.465115       32.49520 25.19314 8.502844 21.07675 8.975299 4.116394       12.36343 
1 1 1 7   16 41 o 12.79254 5.996790 -17.76397      18.91044 -35.37000      24.37788 8.837790       29.96542 13.12383 6.331411 21.01901 8.764925 -7.895185      10.81252 
1 1 1 7   16 42 o 23.54135 9.175141 22.00615       30.47011 0.000000       0.000000 22.00615       30.47011 ?        ?        23.54135 9.175141 ?              ?        
1 1 1 7   16 43 o 21.27201 8.807233 11.46970       29.94957 0.000000       0.000000 11.46970       29.94957 ?        ?        21.27201 8.807233 ?              ?        
1 1 1 7   16 44 o 18.02026 8.106714 -8.831000      29.96729 -8.831000      29.96729 0.000000       0.000000 18.02026 8.106714 ?        ?        ?              ?        
1 1 1 7   16 45 o 34.26409 6.809542 63.22204       22.03344 62.24000       32.53637 64.05387       29.94470 32.93296 9.543203 33.59714 8.946786 -0.6641808     13.08120 
1 1 1 7   16 46 o 30.33799 7.437025 50.69556       21.91115 32.70000       33.46194 64.20338       28.99086 25.86418 9.729587 33.64480 8.729206 -7.780619      13.07149 
1 1 1 7   16 47 o 38.54110 6.899766 80.27951       25.07359 89.11000       35.96645 71.93000       34.97323 39.15842 9.484993 34.97537 9.816751 4.183052       13.65041 
1 1 1 7   16 48 o 29.00939 7.596090 46.96341       21.81965 55.68998       24.04416 6.241000       51.94033 31.50571 7.830724 24.64778 10.90627 6.857925       13.42636 
1 1 1 7   16 49 o 15.24339 6.533565 1.676836       17.42192 -2.749203      23.01088 7.621714       26.66841 16.42628 7.264243 19.33575 8.178049 -2.909466      10.93845 
1 1 1 7   16 50 o 19.34295 7.234432 17.01179       18.44349 5.972820       24.23170 32.21360       28.43592 18.30291 7.770680 24.74226 9.030862 -6.439344      11.91385 
1 1 1 7   16 51 o 29.63075 7.127281 49.03269       20.41806 70.38056       25.07619 7.036000       35.17157 35.45406 7.462367 21.16801 9.179048 14.28605       11.82970 
1 1 1 7   16 52 o 33.87597 6.512030 62.70594       20.80883 66.25948       26.07212 56.47000       34.53799 34.03402 7.967726 30.55465 10.01242 3.479368       12.79583 
1 1 1 7   16 53 o 51.18790 4.353956 134.2469       21.60829 140.4411       29.35369 126.9197       31.92553 51.40641 5.942947 48.14847 6.977141 3.257938       9.165103 
1 1 1 7   16 54 o 43.35439 5.057494 98.10923       21.05959 96.45058       28.92343 99.98075       30.72352 41.60878 7.371431 42.12979 7.735298 -0.5210152     10.68517 
1 1 1 7   16 55 o 53.00764 4.396917 144.2997       22.60847 145.0932       31.23664 143.4266       32.76445 51.93887 6.270989 51.33773 6.678327 0.6011353      9.161078 
1 1 1 7   16 56 o 63.12019 4.331704 204.2479       26.60066 206.5482       33.96721 200.6000       42.77589 62.53818 5.608407 60.02380 7.439788 2.514381       9.316902 
1 1 1 7   16 57 o 33.30039 7.825239 64.36147       25.07192 64.83079       29.07385 63.00000       49.51913 32.74572 8.858232 30.96922 11.79354 1.776497       14.74978 
1 1 1 7   16 58 o 20.30349 7.447723 21.02885       19.37664 24.05235       29.13771 18.63168       25.94478 22.41507 8.899802 20.79680 8.350738 1.618267       12.20415 
1 1 1 7   17 0  o 126.0485 3.878233 779.1016       47.79261 820.8000       86.70065 760.9004       57.28133 129.1186 6.884943 124.5081 4.708606 4.610443       8.341068 
1 1 1 7   17 1  o 310.2079 6.977684 4724.875       211.8705 5474.000       405.3291 4443.243       248.5257 332.4883 12.47660 300.4754 8.458406 32.01297       15.07349 
1 1 1 7   17 2  o 326.9261 7.293797 5249.658       233.4046 0.000000       0.000000 5249.658       233.4046 ?        ?        326.9261 7.293797 ?              ?        
1 1 1 7   17 3  o 344.4283 7.647031 5829.189       257.8089 0.000000       0.000000 5829.189       257.8089 ?        ?        344.4283 7.647031 ?              ?        
1 1 1 7   17 4  o 177.8704 4.519108 1551.604       78.61597 1427.000       133.4829 1617.781       97.27737 170.1850 8.035751 181.5393 5.480657 -11.35423      9.726813 
1 1 1 7   17 5  o 472.4454 8.906875 10985.92       411.8918 11930.00       874.0032 10716.38       467.0035 487.5680 18.34624 466.1928 10.23407 21.37521       21.00763 
1 1 1 7   17 6  o 252.1287 5.860197 3118.990       144.6241 3108.000       248.9076 3124.591       177.6975 250.8523 10.15811 252.0907 7.208826 -1.238464      12.45610 
1 1 1 7   17 7  o 162.3302 4.334004 1292.397       68.80283 1257.000       116.9038 1311.155       85.10290 159.7508 7.497082 163.4169 5.327480 -3.666122      9.197189 
1 1 1 7   17 8  f 341.9804 7.623281 5749.418       255.1816 5877.000       447.3181 5687.868       310.6975 343.9359 13.31231 339.6353 9.354758 4.300629       16.27050 
1 1 1 7   17 9  o 135.6153 3.397959 901.4988       45.07034 910.3000       92.27715 898.7415       51.65023 135.9429 6.957904 135.3743 3.901965 0.5686646      7.977328 
1 1 1 7   17 10 o 325.7292 6.304679 5209.695       201.0138 5395.000       410.2579 5151.155       230.5892 329.5775 12.74125 323.7181 7.277226 5.859467       14.67302 
1 1 1 7   17 11 o 171.0591 4.406101 1435.439       73.71316 1440.000       128.3057 1433.192       90.05924 170.9238 7.688659 170.8257 5.392788 0.9812927E-01  9.391360 
1 1 1 7   17 12 o 211.7337 5.075484 2199.247       105.1898 2383.000       191.3183 2119.631       125.9326 219.6894 8.915472 207.6544 6.202661 12.03499       10.86088 
1 1 1 7   17 13 o 240.9794 4.878472 2848.478       115.0721 2819.000       227.2662 2858.641       133.4419 238.7354 9.745986 241.3165 5.649354 -2.581146      11.26497 
1 1 1 7   17 14 o 134.2135 3.409140 883.1770       44.75025 846.0000       87.01955 896.5437       52.17852 131.0008 6.809735 135.1849 3.947506 -4.184097      7.871169 
1 1 1 7   17 15 o 228.4839 5.356280 2562.516       119.7912 2527.000       205.9858 2580.666       147.2523 226.0327 9.330278 229.0279 6.575327 -2.995239      11.41442 
1 1 1 7   17 16 o 128.6499 3.718911 811.8893       46.78166 880.4000       85.99086 783.0880       55.75449 133.6527 6.593425 126.2755 4.518093 7.377213       7.992898 
1 1 1 7   17 17 o 141.4531 3.517772 980.6107       48.70644 909.5000       92.39716 1007.975       57.31672 135.7792 6.975532 143.3206 4.089882 -7.541428      8.086110 
1 1 1 7   17 18 o 144.5059 5.151077 1026.402       72.74358 991.7000       96.53423 1072.000       110.6555 141.7828 6.977301 147.3001 7.701490 -5.517288      10.39210 
1 1 1 7   17 19 o 180.8594 4.596597 1606.026       81.30770 1631.000       140.1899 1593.368       99.80950 181.6956 7.901430 179.9940 5.672183 1.701614       9.726575 
1 1 1 7   17 20 o 342.0624 6.612961 5759.050       221.4153 5408.000       421.8591 5892.524       260.1241 328.4969 13.14644 345.6600 7.688210 -17.16309      15.22949 
1 1 1 7   17 21 o 146.8277 5.026215 1060.047       72.12975 0.000000       0.000000 1060.047       72.12975 ?        ?        146.8277 5.026215 ?              ?        
1 1 1 7   17 22 o 162.6527 3.754970 1297.489       59.78249 1249.000       113.0174 1316.328       70.44485 158.9657 7.282677 163.7071 4.400170 -4.741470      8.508753 
1 1 1 7   17 23 o 44.96814 5.646815 101.0215       24.30840 0.000000       0.000000 101.0215       24.30840 ?        ?        44.96814 5.646815 ?              ?        
1 1 1 7   17 24 f 161.2620 4.359008 1278.023       68.74284 1390.000       118.1870 1220.771       84.50847 167.5899 7.221646 157.4135 5.493109 10.17645       9.073391 
1 1 1 7   17 25 o 138.6824 3.499090 944.1971       47.46087 1034.097       65.86411 847.0995       68.45018 144.9707 4.647550 131.0777 5.346282 13.89293       7.083957 
1 1 1 7   17 26 o 155.8383 4.328103 1194.589       65.95646 1375.000       115.9679 1108.328       80.18903 166.4982 7.132300 149.8731 5.475398 16.62509       8.991645 
1 1 1 7   17 27 o 101.1251 3.969722 503.3128       39.21759 557.5000       61.57395 466.3271       50.87041 106.0770 5.954098 97.10222 5.373118 8.974831       8.020081 
1 1 1 7   17 28 o 79.47279 3.336299 310.6834       25.89540 346.4391       32.78653 251.3914       42.22024 83.83858 4.006860 71.01472 6.133950 12.82387       7.326682 
1 1 1 7   17 29 o 84.20125 4.010043 349.6972       32.95520 325.6000       48.01820 371.1537       45.31091 80.82102 6.115189 86.48944 5.378836 -5.668419      8.144164 
1 1 1 7   17 30 o 83.23621 3.274743 341.0304       26.62854 377.8019       34.21671 284.5571       42.40373 87.49458 4.005942 75.54430 5.778364 11.95029       7.031150 
1 1 1 7   17 31 o 83.69601 3.245531 344.9559       26.53829 336.0575       33.24165 360.5948       44.06882 82.45002 4.132111 85.14239 5.314352 -2.692368      6.731766 
1 1 1 7   17 32 o 57.71009 3.610709 164.6939       20.29406 149.5450       24.30996 199.5246       36.86163 54.80544 4.573278 62.99844 6.052127 -8.193001      7.585718 
1 1 1 7   17 33 o 92.64613 3.509630 423.6337       31.76939 414.2816       36.52444 452.7000       64.39082 91.47897 4.089360 94.62040 7.001983 -3.141426      8.108676 
1 1 1 7   17 34 o 51.13215 3.876244 129.8683       19.25591 125.1058       22.98796 141.0693       35.25402 49.99388 4.754792 52.46359 7.042794 -2.469715      8.497588 
1 1 1 7   17 35 o 61.10065 3.998365 185.4581       23.78164 169.8825       25.62101 282.4000       63.91885 58.34497 4.521546 73.47094 9.081171 -15.12597      10.14456 
1 1 1 7   17 36 o 66.61384 3.606972 219.8691       23.43098 220.0537       28.05519 219.4434       42.60295 66.46152 4.336254 65.56928 6.733513 0.8922348      8.008951 
1 1 1 7   17 37 o 85.93346 3.314022 365.0214       27.82333 339.7903       34.06917 415.5487       48.21210 82.64861 4.225358 90.95382 5.440241 -8.305206      6.888387 
1 1 1 7   17 38 o 30.10655 6.282115 47.42155       17.91335 39.45755       20.89253 69.52657       34.80735 27.30253 7.559635 35.66650 9.710964 -8.363976      12.30654 
1 1 1 7   17 39 o 13.91850 6.169684 -4.745161      16.69429 -15.82957      19.49045 25.78720       32.34788 13.35990 6.204359 24.99545 9.528735 -11.63555      11.37061 
1 1 1 7   17 40 o 35.77709 5.518146 65.97849       18.70368 51.68633       22.21534 100.7732       34.66258 31.03888 7.414112 43.16046 8.507401 -12.12158      11.28472 
1 1 1 7   17 41 o 20.22600 7.879771 15.05144       22.46642 50.21000       33.25470 -14.46930      30.47200 30.34721 9.816310 17.59852 8.019218 12.74869       12.67548 
1 1 1 7   17 42 o 55.74844 3.747587 155.5807       20.33107 145.7787       24.63405 176.5213       36.00590 53.59541 4.744683 58.19579 6.427840 -4.600384      7.989314 
1 1 1 7   17 43 f 36.45042 5.156763 68.60043       17.88545 68.96099       21.71446 67.83976       31.53978 36.07571 6.382827 34.62015 9.164878 1.455555       11.16850 
1 1 1 7   17 44 o 42.69621 5.265880 94.08933       21.54148 97.85000       29.16988 89.57829       31.94779 42.62412 7.250951 40.14490 8.400452 2.479221       11.09702 
1 1 1 7   17 45 o 40.87169 7.727625 91.50000       29.78307 91.50000       29.78307 0.000000       0.000000 40.87169 7.727625 ?        ?        ?              ?        
1 1 1 7   17 46 o 20.64100 7.626311 19.63453       20.37792 3.597000       26.23880 44.01000       32.34831 18.64742 8.005820 28.18619 9.694105 -9.538771      12.57254 
1 1 1 7   17 47 o 27.48079 8.645716 42.41452       25.93834 55.48000       29.98764 3.598000       51.68777 30.96871 9.213302 24.33191 10.81691 6.636799       14.20881 
1 1 1 7   17 48 o 13.65572 6.337268 -14.27018      20.27965 13.39000       30.41908 -36.39935      27.20829 21.31184 8.854445 13.84561 6.681918 7.466232       11.09276 
1 1 1 7   17 49 o 24.18117 9.010815 29.76263       28.56060 0.000000       0.000000 29.76263       28.56060 ?        ?        24.18117 9.010815 ?              ?        
1 1 1 7   17 50 o 35.55283 6.959723 69.74233       23.35258 93.18000       37.18015 54.47201       30.01082 39.31546 9.717670 30.31632 9.260877 8.999142       13.42375 
1 1 1 7   17 51 o 35.57666 6.851980 69.57606       22.99540 55.68000       36.29198 78.89725       29.72354 30.40355 10.27180 36.99508 8.400635 -6.591530      13.26953 
1 1 1 7   17 52 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   17 53 o 22.84148 8.335386 26.96165       24.22300 30.39000       34.74625 23.72000       33.78689 24.86930 9.766902 23.49955 9.496541 1.369747       13.62265 
1 1 1 7   17 54 o 52.06649 5.824441 143.9585       29.17573 154.1000       41.34572 133.9000       41.17622 51.80919 8.443521 47.61523 9.167369 4.193958       12.46329 
1 1 1 7   17 55 o 33.02057 7.992846 63.03625       25.55367 70.64000       38.41289 57.00000       34.22523 33.37363 10.52419 30.46404 9.966054 2.909595       14.49416 
1 1 1 7   17 56 o 25.35544 9.279362 36.11692       30.05230 59.71000       38.05006 -3.004000      48.99679 30.70024 10.51530 22.30048 10.16445 8.399761       14.62490 
1 1 1 7   17 57 o 13.33089 6.253015 -16.12216      20.61516 7.548000       36.10386 -27.57284      25.11127 20.93865 9.185276 13.69865 6.561109 7.239998       11.28793 
1 1 1 7   17 58 o 20.16852 7.701092 19.75685       21.15102 42.35000       38.29096 9.836277       25.37326 26.64162 10.31267 18.86786 7.978424 7.773758       13.03865 
1 1 1 7   18 0  o 121.2848 6.928052 724.9000       81.90556 724.9000       81.90556 0.000000       0.000000 121.2848 6.928052 ?        ?        ?              ?        
1 1 1 7   18 1  o 184.3534 4.603172 1666.036       83.06434 0.000000       0.000000 1666.036       83.06434 ?        ?        184.3534 4.603172 ?              ?        
1 1 1 7   18 2  o 255.3562 5.105240 3197.736       127.6053 3445.000       268.4918 3125.587       145.0322 264.0089 10.41018 252.3773 5.870943 11.63161       11.95156 
1 1 1 7   18 3  o 170.5333 4.381275 1426.361       73.07285 0.000000       0.000000 1426.361       73.07285 ?        ?        170.5333 4.381275 ?              ?        
1 1 1 7   18 4  o 144.5265 4.833377 1025.312       68.27991 0.000000       0.000000 1025.312       68.27991 ?        ?        144.5265 4.833377 ?              ?        
1 1 1 7   18 5  o 80.54745 4.771883 319.2179       37.45391 0.000000       0.000000 319.2179       37.45391 ?        ?        80.54745 4.771883 ?              ?        
1 1 1 7   18 6  o 98.28657 3.718415 473.9972       35.70872 545.9000       66.82652 445.2621       42.24567 105.2302 6.519894 95.19402 4.546987 10.03618       7.948843 
1 1 1 7   18 7  o 60.43789 3.733469 179.6606       21.97874 183.7000       47.65409 178.5692       24.77067 60.54373 8.256158 60.21076 4.229894 0.3329697      9.276645 
1 1 1 7   18 8  o 100.5480 3.935523 496.2180       38.65828 568.2000       69.32801 463.7370       46.57061 107.3405 6.630774 97.11543 4.915095 10.22506       8.253806 
1 1 1 7   18 9  o 222.7509 6.576297 2440.026       143.2291 2476.000       202.4829 2404.000       202.6303 223.8658 9.260473 220.5480 9.407924 3.317795       13.20096 
1 1 1 7   18 10 o 93.50288 3.195613 428.7931       29.20429 445.6000       61.15065 423.8270       33.24001 94.99648 6.617767 92.92824 3.661491 2.068245       7.563158 
1 1 1 7   18 11 o 136.1197 3.417048 908.4080       45.49196 835.4000       88.49458 934.6310       53.03631 130.1602 6.971391 138.0329 3.929402 -7.872696      8.002530 
1 1 1 7   18 12 f 62.63731 3.571465 192.8872       21.80630 155.6000       46.84866 203.2000       24.63801 55.48121 8.929712 64.26534 3.935595 -8.784134      9.758517 
1 1 1 7   18 13 o 198.6577 4.884624 1936.254       94.98231 1874.000       160.9051 1969.549       117.6712 194.7776 8.459830 200.1416 6.013391 -5.364044      10.37929 
1 1 1 7   18 14 o 117.3316 3.629152 675.3550       41.62975 661.7000       74.64925 681.5185       50.15258 115.8195 6.612197 117.8052 4.356839 -1.985680      7.918535 
1 1 1 7   18 15 o 149.9538 4.881123 1104.573       71.54916 0.000000       0.000000 1104.573       71.54916 ?        ?        149.9538 4.881123 ?              ?        
1 1 1 7   18 16 o 126.0955 3.350377 779.7232       41.31564 693.5000       78.29649 812.9969       48.63855 118.5350 6.776461 128.7180 3.864802 -10.18303      7.801097 
1 1 1 7   18 17 f 67.44289 3.667016 223.6274       24.11673 224.1000       47.24165 223.4609       28.04663 67.06282 7.315224 67.36269 4.275650 -0.2998657     8.473115 
1 1 1 7   18 18 o 202.9245 6.181091 2026.953       122.6307 2075.000       171.7630 1977.000       175.1382 204.7749 8.588397 199.7698 8.979591 5.005112       12.42552 
1 1 1 7   18 19 o 56.77312 3.681468 158.6983       20.34801 140.4000       43.34522 163.8707       23.04512 52.61212 8.722162 57.65298 4.110640 -5.040859      9.642275 
1 1 1 7   18 20 o 298.3247 6.793156 4384.518       198.3659 4113.000       325.6156 4544.754       250.1415 286.9075 11.61867 303.0718 8.440286 -16.16434      14.36078 
1 1 1 7   18 21 o 80.22413 3.246049 316.0095       25.43715 366.7000       49.52615 297.8462       29.64622 86.12830 5.910487 77.82245 3.904340 8.305847       7.083623 
1 1 1 7   18 22 o 182.0476 4.681333 1629.078       83.34895 0.000000       0.000000 1629.078       83.34895 ?        ?        182.0476 4.681333 ?              ?        
1 1 1 7   18 23 o 182.7801 4.718873 1642.920       84.35487 0.000000       0.000000 1642.920       84.35487 ?        ?        182.7801 4.718873 ?              ?        
1 1 1 7   18 24 o 44.10526 5.844511 97.51426       24.61117 104.7000       35.31224 90.72672       34.31988 45.25188 8.277201 41.98837 8.638826 3.263508       11.96417 
1 1 1 7   18 25 o 226.7154 4.687389 2528.650       104.0203 2591.964       146.7529 2464.722       147.4635 228.8801 6.557232 223.1106 6.760200 5.769455       9.417940 
1 1 1 7   18 26 o 114.8794 3.724185 648.9513       41.82206 693.9832       49.65979 539.1000       77.56173 118.7140 4.280637 103.8699 7.683108 14.84407       8.795113 
1 1 1 7   18 27 o 139.4396 4.128823 957.3676       56.29113 1092.000       95.38319 885.4179       69.72868 148.2524 6.589469 133.8202 5.334018 14.43217       8.477786 
1 1 1 7   18 28 o 67.85534 3.376233 226.7972       22.35406 213.8610       27.03530 254.7563       39.74575 65.76571 4.222073 71.51688 5.725533 -5.751175      7.113904 
1 1 1 7   18 29 o 81.47066 3.213569 326.6780       25.57657 311.8511       31.42221 355.7876       44.02812 79.46457 4.053162 84.62183 5.342742 -5.157257      6.706192 
1 1 1 7   18 30 o 96.51704 3.221519 458.5370       30.39218 513.5743       39.99895 383.3599       46.74796 101.9938 4.014371 87.75504 5.469516 14.23879       6.784599 
1 1 1 7   18 31 o 141.0886 3.942559 982.5900       54.39392 976.3687       64.21035 998.4000       102.3595 140.3972 4.678938 140.6917 7.459479 -0.2944641     8.805470 
1 1 1 7   18 32 o 89.75394 4.496311 399.7787       39.37593 385.1000       50.22126 423.2000       63.43803 87.65503 5.887496 91.41016 7.146818 -3.755135      9.259569 
1 1 1 7   18 33 o 101.9579 3.240849 512.5789       32.30233 533.7915       41.95042 481.6825       50.62827 103.8073 4.136881 98.22679 5.285172 5.580460       6.711693 
1 1 1 7   18 34 o 40.46983 5.107938 82.78276       19.78421 80.01231       21.07158 103.4000       57.48279 39.65533 5.582967 43.07088 12.74150 -3.415546      13.91098 
1 1 1 7   18 35 o 56.11288 3.765766 156.3672       20.56366 156.8140       24.35170 155.2567       38.39064 56.02660 4.477707 54.83212 7.336895 1.194477       8.595341 
1 1 1 7   18 36 o 51.34732 4.018670 131.4148       20.03711 106.3854       23.21170 204.6062       39.69274 45.85244 5.267307 63.33335 6.494744 -17.48091      8.362190 
1 1 1 7   18 37 o 47.85300 4.167046 114.5317       19.32392 122.0915       22.58353 93.86638       37.33864 49.26682 4.741566 41.54469 9.402069 7.722122       10.53002 
1 1 1 7   18 38 o 51.08812 3.992001 130.3274       19.80419 129.2825       23.45325 132.9237       36.96912 50.66345 4.786085 50.27586 7.761948 0.3875885      9.118905 
1 1 1 7   18 39 o 39.56850 4.893864 79.59814       18.55069 51.11602       21.68803 157.2384       35.80779 30.91075 7.287685 55.04179 6.790069 -24.13105      9.960691 
1 1 1 7   18 40 o 83.80748 3.302818 348.5832       27.04098 300.6390       32.90594 448.2955       47.45486 77.41913 4.359918 94.14099 5.169708 -16.72186      6.762748 
1 1 1 7   18 41 o 67.62611 3.427623 227.7849       22.61492 205.5366       27.36258 275.7400       40.17216 63.86665 4.403965 73.37547 5.636460 -9.508820      7.152942 
1 1 1 7   18 42 o 38.67738 4.621874 76.33484       17.15178 72.88345       20.38639 84.69697       31.73233 37.37065 5.757834 39.05829 8.538800 -1.687641      10.29873 
1 1 1 7   18 43 o 30.32034 5.710771 48.49825       16.32701 50.96234       19.39676 42.50849       30.24165 30.76129 6.637043 27.91201 9.376404 2.849281       11.48770 
1 1 1 7   18 44 o 49.64600 4.207232 124.7449       20.25266 117.5888       23.42898 145.9000       40.28315 47.83212 5.081800 51.49025 8.272820 -3.658127      9.708977 
1 1 1 7   18 45 o 34.89294 5.501222 63.76539       18.16731 48.71283       21.22581 105.0000       35.13097 29.73456 7.338206 43.25433 8.600543 -13.51977      11.30569 
1 1 1 7   18 46 o 29.30869 7.333560 47.54214       20.98538 47.54214       20.98538 0.000000       0.000000 29.30869 7.333560 ?        ?        ?              ?        
1 1 1 7   18 47 o 20.61100 6.992499 21.75109       16.81924 43.57558       21.00220 -17.27328      28.08411 27.95667 7.514247 16.14431 7.480206 11.81237       10.60271 
1 1 1 7   18 48 o 44.78000 4.369521 102.6094       18.90907 100.1231       23.84912 106.8179       31.02895 43.56711 5.731389 43.97758 7.475536 -0.4104691     9.419791 
1 1 1 7   18 49 o 30.10630 6.096084 49.09664       17.34761 44.71601       21.64379 56.96646       29.00999 28.08998 7.661547 31.08967 9.011854 -2.999687      11.82847 
1 1 1 7   18 50 o 24.55852 7.185904 33.55360       18.36810 23.41903       21.66150 59.49000       34.65298 21.64177 7.884679 31.33390 10.00972 -9.692129      12.74216 
1 1 1 7   18 51 o 20.55497 7.208204 21.64906       17.92698 19.05462       22.01169 26.76000       30.89460 20.51133 7.850232 23.68179 9.236271 -3.170460      12.12167 
1 1 1 7   18 52 o 36.09772 5.753899 69.62973       19.64854 73.28418       23.98852 62.18000       34.25013 36.36641 6.992946 31.85353 9.922206 4.512882       12.13884 
1 1 1 7   18 53 o 44.45405 4.957878 102.9358       21.20636 87.51385       25.21556 140.2000       39.19625 39.99892 6.675535 49.45979 8.396198 -9.460869      10.72655 
1 1 1 7   18 54 o 68.84046 3.915919 240.6969       26.27778 226.9633       31.25702 273.8000       48.52769 66.19826 4.857686 70.60752 7.118623 -4.409264      8.618114 
1 1 1 7   18 55 o 43.85387 5.139219 101.0361       21.64228 117.2331       26.38759 67.75000       37.82813 46.79694 5.890954 32.59799 10.46285 14.19895       12.00727 
1 1 1 7   18 56 o 34.12095 5.769481 62.96410       18.58303 84.51303       24.86709 35.71029       27.96571 39.00853 6.757344 25.03711 8.980816 13.97143       11.23907 
1 1 1 7   18 57 o 22.00477 7.115279 27.09878       17.47286 38.89497       23.76158 13.21054       25.78268 25.65989 8.297534 19.64192 8.155453 6.017965       11.63445 
1 1 1 7   19 0  o 129.1505 3.391865 817.7132       42.84150 818.9000       89.57011 817.3612       48.78354 128.8745 7.128285 129.0902 3.865122 -0.2157440     8.108738 
1 1 1 7   19 1  o 226.0297 6.590903 2511.972       145.6641 2265.000       194.6928 2826.000       219.5381 214.1212 9.311585 239.1972 9.394922 -25.07596      13.22763 
1 1 1 7   19 2  o 153.1404 3.631564 1149.103       54.43643 1222.000       113.8568 1127.502       61.97943 157.4636 7.407845 151.6082 4.180548 5.855347       8.506066 
1 1 1 7   19 3  o 168.0206 3.803092 1383.440       62.54686 1608.000       137.5778 1324.934       70.22365 180.6067 7.800701 164.3378 4.369434 16.26889       8.941079 
1 1 1 7   19 4  o 155.9653 5.234172 1194.798       79.79330 0.000000       0.000000 1194.798       79.79330 ?        ?        155.9653 5.234172 ?              ?        
1 1 1 7   19 5  o 153.0506 5.222597 1150.642       78.12516 0.000000       0.000000 1150.642       78.12516 ?        ?        153.0506 5.222597 ?              ?        
1 1 1 7   19 6  o 70.59315 5.153447 245.7957       35.36426 0.000000       0.000000 245.7957       35.36426 ?        ?        70.59315 5.153447 ?              ?        
1 1 1 7   19 7  o 143.7366 3.544461 1012.358       49.86819 975.1000       99.50342 1024.855       57.62787 140.6131 7.253985 144.5357 4.077420 -3.922638      8.321398 
1 1 1 7   19 8  o 52.03038 5.280665 134.2101       26.52168 166.0000       48.93056 120.9849       31.55985 57.33529 9.016008 49.15918 6.735734 8.176109       11.25427 
1 1 1 7   19 9  o 180.0156 5.731500 1592.849       100.8628 1612.000       141.3813 1573.000       143.9359 180.7257 8.012111 178.4744 8.261650 2.251221       11.50864 
1 1 1 7   19 10 o 133.9493 4.117256 880.4943       53.91860 792.7000       87.62630 933.9901       68.40083 126.7424 7.091561 137.8677 5.077328 -11.12530      8.721783 
1 1 1 7   19 11 o 107.0769 3.271989 562.2978       34.25342 495.2000       67.41790 585.6455       39.76888 100.0988 6.923475 109.2466 3.724473 -9.147758      7.861693 
1 1 1 7   19 12 o 62.56094 3.698499 192.5040       22.54721 92.08000       47.67690 221.4341       25.58964 42.34490 11.29499 67.09454 3.913452 -24.74964      11.95374 
1 1 1 7   19 13 o 313.8471 7.053600 4847.747       216.6882 4470.000       355.1754 5071.706       273.4809 299.5047 12.14043 320.4256 8.727667 -20.92093      14.95199 
1 1 1 7   19 14 o 37.17323 4.808625 68.93236       17.08722 -21.65000      42.73178 86.17293       18.64254 21.42599 9.656017 41.65200 4.651933 -20.22601      10.71817 
1 1 1 7   19 15 o 37.87701 4.389883 71.31487       15.97450 75.90000       42.36906 70.55507       17.24735 38.56499 10.79807 37.61563 4.793051 0.9493561      11.81405 
1 1 1 7   19 16 o 138.1858 3.984304 937.2036       53.83546 943.1000       93.54612 934.2836       65.82928 138.2251 6.936219 137.8720 4.885668 0.3531036      8.484155 
1 1 1 7   19 17 o 33.70340 5.257890 57.11823       16.77972 39.74000       40.38962 60.74332       18.44700 30.38677 10.80479 34.72014 5.619904 -4.333370      12.17895 
1 1 1 7   19 18 o 134.0450 3.417707 881.4159       44.80612 737.0000       82.49016 941.8547       53.36456 122.1046 6.930276 138.5159 3.939931 -16.41124      7.971938 
1 1 1 7   19 19 o 113.5081 3.258657 632.0839       36.16778 545.3000       67.77348 666.6404       42.76662 105.0061 6.627665 116.5271 3.754389 -11.52100      7.617176 
1 1 1 7   19 20 o 126.3814 3.986680 784.5167       49.25577 757.9000       77.94208 802.2143       63.55532 123.8553 6.451351 127.6563 5.096561 -3.800964      8.221609 
1 1 1 7   19 21 o 188.3801 4.095622 1741.962       75.51985 1802.000       150.3414 1721.700       87.33846 190.6180 8.075950 187.1219 4.772317 3.496140       9.380617 
1 1 1 7   19 22 o 91.23913 4.387372 409.8780       39.06764 0.000000       0.000000 409.8780       39.06764 ?        ?        91.23913 4.387372 ?              ?        
1 1 1 7   19 23 o 233.5855 4.792227 2683.656       109.5695 2731.000       217.3112 2667.518       126.8776 233.7548 9.517537 232.6795 5.570840 1.075287       11.02804 
1 1 1 7   19 24 o 95.86219 3.922874 452.1996       36.73156 527.7000       58.19909 402.2147       47.35451 103.2561 5.781387 90.17552 5.389551 13.08059       7.903904 
1 1 1 7   19 25 o 92.61592 3.848029 422.2316       34.80833 433.2000       50.41735 412.2417       48.11606 93.52992 5.531809 91.25482 5.411058 2.275101       7.738246 
1 1 1 7   19 26 o 146.3520 3.563151 1052.472       51.04335 1118.832       69.91631 976.7350       74.69257 150.5891 4.749217 140.5129 5.440973 10.07623       7.222136 
1 1 1 7   19 27 o 91.54350 5.421798 415.8734       48.36460 0.000000       0.000000 415.8734       48.36460 ?        ?        91.54350 5.421798 ?              ?        
1 1 1 7   19 28 o 86.76609 5.464659 374.3145       46.17511 0.000000       0.000000 374.3145       46.17511 ?        ?        86.76609 5.464659 ?              ?        
1 1 1 7   19 29 o 86.63805 5.345264 373.4781       45.10911 0.000000       0.000000 373.4781       45.10911 ?        ?        86.63805 5.345264 ?              ?        
1 1 1 7   19 30 o 127.1306 7.275317 814.7000       90.15524 0.000000       0.000000 814.7000       90.15524 ?        ?        127.1306 7.275317 ?              ?        
1 1 1 7   19 31 o 86.93337 7.348229 383.8000       61.94307 0.000000       0.000000 383.8000       61.94307 ?        ?        86.93337 7.348229 ?              ?        
1 1 1 7   19 32 o 82.56601 5.518419 341.3726       44.34266 0.000000       0.000000 341.3726       44.34266 ?        ?        82.56601 5.518419 ?              ?        
1 1 1 7   19 33 o 31.89704 12.39513 41.05000       55.48078 0.000000       0.000000 41.05000       55.48078 ?        ?        31.89704 12.39513 ?              ?        
1 1 1 7   19 34 o 39.86005 9.561237 85.94064       36.82426 0.000000       0.000000 85.94064       36.82426 ?        ?        39.86005 9.561237 ?              ?        
1 1 1 7   19 35 o 29.14713 10.08191 42.17420       35.00621 0.000000       0.000000 42.17420       35.00621 ?        ?        29.14713 10.08191 ?              ?        
1 1 1 7   19 36 o 56.65473 7.258512 166.2982       39.32874 0.000000       0.000000 166.2982       39.32874 ?        ?        56.65473 7.258512 ?              ?        
1 1 1 7   19 37 o 37.18396 9.877896 76.19019       36.55761 0.000000       0.000000 76.19019       36.55761 ?        ?        37.18396 9.877896 ?              ?        
1 1 1 7   19 38 o 57.83871 6.921257 173.6879       38.40705 0.000000       0.000000 173.6879       38.40705 ?        ?        57.83871 6.921257 ?              ?        
1 1 1 7   19 39 o 91.36541 5.460449 423.6594       48.61053 0.000000       0.000000 423.6594       48.61053 ?        ?        91.36541 5.460449 ?              ?        
1 1 1 7   19 40 o 20.88047 8.772061 8.357199       30.35312 0.000000       0.000000 8.357199       30.35312 ?        ?        20.88047 8.772061 ?              ?        
1 1 1 7   19 41 o 45.28333 7.769044 110.9326       33.19659 0.000000       0.000000 110.9326       33.19659 ?        ?        45.28333 7.769044 ?              ?        
1 1 1 7   19 42 o 54.78169 6.637862 158.1151       34.86824 0.000000       0.000000 158.1151       34.86824 ?        ?        54.78169 6.637862 ?              ?        
1 1 1 7   19 43 o 80.97585 6.856565 346.0000       53.83573 0.000000       0.000000 346.0000       53.83573 ?        ?        80.97585 6.856565 ?              ?        
1 1 1 7   19 44 o 18.62058 8.062186 1.863136       27.05013 0.000000       0.000000 1.863136       27.05013 ?        ?        18.62058 8.062186 ?              ?        
1 1 1 7   19 45 o 34.60279 12.48498 74.07000       54.13837 0.000000       0.000000 74.07000       54.13837 ?        ?        34.60279 12.48498 ?              ?        
1 1 1 7   19 46 o 66.16082 5.909286 229.0948       37.86613 0.000000       0.000000 229.0948       37.86613 ?        ?        66.16082 5.909286 ?              ?        
1 1 1 7   19 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   19 48 o 58.69560 5.904992 181.8581       33.46535 0.000000       0.000000 181.8581       33.46535 ?        ?        58.69560 5.904992 ?              ?        
1 1 1 7   19 49 o 22.49548 8.803991 22.82815       28.14993 0.000000       0.000000 22.82815       28.14993 ?        ?        22.49548 8.803991 ?              ?        
1 1 1 7   19 50 o 64.22782 7.206779 225.9000       44.52695 0.000000       0.000000 225.9000       44.52695 ?        ?        64.22782 7.206779 ?              ?        
1 1 1 7   19 51 o 22.04340 9.054931 18.05000       31.32689 0.000000       0.000000 18.05000       31.32689 ?        ?        22.04340 9.054931 ?              ?        
1 1 1 7   19 52 o 30.92455 10.06375 58.71000       34.92214 0.000000       0.000000 58.71000       34.92214 ?        ?        30.92455 10.06375 ?              ?        
1 1 1 7   19 53 o 37.44642 10.06878 87.42000       37.70042 0.000000       0.000000 87.42000       37.70042 ?        ?        37.44642 10.06878 ?              ?        
1 1 1 7   19 54 o 32.45971 10.28642 66.33000       36.65600 0.000000       0.000000 66.33000       36.65600 ?        ?        32.45971 10.28642 ?              ?        
1 1 1 7   19 55 o 25.37038 9.628983 35.52000       32.94157 0.000000       0.000000 35.52000       32.94157 ?        ?        25.37038 9.628983 ?              ?        
1 1 1 7   19 56 o 33.73925 8.491617 68.44727       28.01826 0.000000       0.000000 68.44727       28.01826 ?        ?        33.73925 8.491617 ?              ?        
1 1 1 7   19 57 o 39.89962 7.592510 92.22971       28.56940 0.000000       0.000000 92.22971       28.56940 ?        ?        39.89962 7.592510 ?              ?        
1 1 1 7   20 0  o 386.5919 7.383140 7353.774       279.3830 7486.000       566.1830 7311.215       321.2133 386.5667 14.99168 385.1299 8.520794 1.436768       17.24397 
1 1 1 7   20 1  o 195.8754 4.199951 1881.020       80.52495 1915.000       164.9660 1870.391       92.26359 196.9108 8.579502 195.2667 4.827208 1.644165       9.844277 
1 1 1 7   20 2  o 199.2973 4.950689 1948.669       96.57690 1958.000       168.3512 1944.092       117.9074 199.0914 8.659594 198.8505 6.064793 0.2408295      10.57215 
1 1 1 7   20 3  o 320.2020 8.826571 5061.059       276.3808 5281.000       403.6838 4867.000       379.1881 325.6220 12.68976 312.6967 12.41335 12.92532       17.75166 
1 1 1 7   20 4  o 124.5452 4.062416 761.2370       49.45797 902.9000       92.63187 704.7505       58.49309 135.3071 7.018115 119.7433 5.001548 15.56380       8.617971 
1 1 1 7   20 5  o 252.0624 5.856656 3120.501       144.4987 0.000000       0.000000 3120.501       144.4987 ?        ?        252.0624 5.856656 ?              ?        
1 1 1 7   20 6  o 180.2672 5.549230 1597.022       97.79986 0.000000       0.000000 1597.022       97.79986 ?        ?        180.2672 5.549230 ?              ?        
1 1 1 7   20 7  o 167.9659 5.518548 1386.713       90.60708 0.000000       0.000000 1386.713       90.60708 ?        ?        167.9659 5.518548 ?              ?        
1 1 1 7   20 8  o 190.9904 4.150463 1788.581       77.59151 1808.000       156.5860 1782.261       89.32977 191.2975 8.382876 190.5336 4.793617 0.7638550      9.656675 
1 1 1 7   20 9  o 230.4030 4.735659 2604.527       106.8009 2723.000       219.4914 2567.775       122.2489 234.4990 9.582661 228.6783 5.461526 5.820740       11.02976 
1 1 1 7   20 10 o 114.1764 4.082180 640.0258       45.54862 542.9000       73.72121 699.9949       57.92806 104.7684 7.233192 119.3248 4.970544 -14.55647      8.776410 
1 1 1 7   20 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   20 12 o 231.5173 5.452487 2632.523       123.5618 2511.000       209.1148 2697.712       153.1582 225.1096 9.511838 234.0642 6.691834 -8.954575      11.62995 
1 1 1 7   20 13 o 63.14682 3.762336 196.1861       23.14951 76.97000       51.44118 226.4605       25.92275 39.31593 12.14577 67.84642 3.920137 -28.53049      12.76273 
1 1 1 7   20 14 o 74.35567 3.408050 271.5567       24.73830 252.2000       55.68713 276.3159       27.61250 71.02718 8.157766 74.97567 3.774666 -3.948494      8.988729 
1 1 1 7   20 15 o 142.8406 4.059925 1001.606       56.70680 947.0000       98.12772 1028.986       69.48372 138.4218 7.267837 144.6804 4.913579 -6.258560      8.772953 
1 1 1 7   20 16 o 146.3523 3.554191 1050.173       50.91508 943.6000       98.89106 1088.614       59.39183 138.1303 7.340470 148.9087 4.078586 -10.77835      8.397462 
1 1 1 7   20 17 o 219.7947 4.554476 2371.655       97.98551 2307.000       192.2756 2394.336       113.8829 215.5910 9.132132 220.7278 5.271029 -5.136810      10.54417 
1 1 1 7   20 18 o 22.04427 6.062371 24.66325       13.48738 7.208000       37.29586 27.28946       14.46645 23.64326 9.812099 23.15371 6.242116 0.4895535      11.62933 
1 1 1 7   20 19 o 82.34975 3.237052 333.0099       26.04182 327.2000       51.95329 334.9595       30.09572 81.19801 6.593432 82.54527 3.734501 -1.347252      7.577589 
1 1 1 7   20 20 o 23.36078 6.419906 27.75203       15.13119 22.86000       34.91557 28.88323       16.78970 25.80102 9.883946 23.90472 6.833375 1.896299       12.01613 
1 1 1 7   20 21 o 177.2588 3.947634 1542.740       68.49372 1456.000       129.2664 1576.599       80.76308 171.2555 7.731365 179.0295 4.612580 -7.774033      9.002772 
1 1 1 7   20 22 o 178.7289 3.967122 1569.079       69.40274 1671.000       139.7875 1535.736       79.95303 183.3301 7.807715 176.6445 4.628101 6.685623       9.076329 
1 1 1 7   20 23 o 86.64198 3.781077 369.4511       31.98918 0.000000       0.000000 369.4511       31.98918 ?        ?        86.64198 3.781077 ?              ?        
1 1 1 7   20 24 o 141.4613 5.337345 988.8424       73.77166 0.000000       0.000000 988.8424       73.77166 ?        ?        141.4613 5.337345 ?              ?        
1 1 1 7   20 25 o 84.26594 5.505847 352.4350       45.16451 0.000000       0.000000 352.4350       45.16451 ?        ?        84.26594 5.505847 ?              ?        
1 1 1 7   20 26 o 116.2225 5.277414 669.2822       59.88018 0.000000       0.000000 669.2822       59.88018 ?        ?        116.2225 5.277414 ?              ?        
1 1 1 7   20 27 o 76.22635 5.778162 289.9092       42.79116 0.000000       0.000000 289.9092       42.79116 ?        ?        76.22635 5.778162 ?              ?        
1 1 1 7   20 28 o 109.9866 5.251101 600.9204       56.36895 0.000000       0.000000 600.9204       56.36895 ?        ?        109.9866 5.251101 ?              ?        
1 1 1 7   20 29 o 74.24937 8.058623 281.8000       57.62984 0.000000       0.000000 281.8000       57.62984 ?        ?        74.24937 8.058623 ?              ?        
1 1 1 7   20 30 o 70.93931 5.876373 252.8668       40.43821 0.000000       0.000000 252.8668       40.43821 ?        ?        70.93931 5.876373 ?              ?        
1 1 1 7   20 31 o 34.22554 9.734406 62.46928       34.15638 0.000000       0.000000 62.46928       34.15638 ?        ?        34.22554 9.734406 ?              ?        
1 1 1 7   20 32 o 50.29332 12.07773 140.8000       58.70665 0.000000       0.000000 140.8000       58.70665 ?        ?        50.29332 12.07773 ?              ?        
1 1 1 7   20 33 o 59.20139 7.025279 179.9128       39.91730 0.000000       0.000000 179.9128       39.91730 ?        ?        59.20139 7.025279 ?              ?        
1 1 1 7   20 34 o 62.02365 6.751851 196.9902       40.32993 0.000000       0.000000 196.9902       40.32993 ?        ?        62.02365 6.751851 ?              ?        
1 1 1 7   20 35 o 52.16674 7.563188 142.0051       37.49433 0.000000       0.000000 142.0051       37.49433 ?        ?        52.16674 7.563188 ?              ?        
1 1 1 7   20 36 o 69.03332 6.332082 243.4476       42.31081 0.000000       0.000000 243.4476       42.31081 ?        ?        69.03332 6.332082 ?              ?        
1 1 1 7   20 37 o 49.53368 7.947773 130.2202       37.23187 0.000000       0.000000 130.2202       37.23187 ?        ?        49.53368 7.947773 ?              ?        
1 1 1 7   20 38 o 41.41595 8.824184 94.05370       34.67693 0.000000       0.000000 94.05370       34.67693 ?        ?        41.41595 8.824184 ?              ?        
1 1 1 7   20 39 o 43.93950 8.442541 105.5392       34.99153 0.000000       0.000000 105.5392       34.99153 ?        ?        43.93950 8.442541 ?              ?        
1 1 1 7   20 40 o 34.12006 9.292498 65.95583       31.86694 0.000000       0.000000 65.95583       31.86694 ?        ?        34.12006 9.292498 ?              ?        
1 1 1 7   20 41 o 49.79613 7.261566 132.7074       34.35284 0.000000       0.000000 132.7074       34.35284 ?        ?        49.79613 7.261566 ?              ?        
1 1 1 7   20 42 o 46.19173 9.327209 121.2000       40.71745 0.000000       0.000000 121.2000       40.71745 ?        ?        46.19173 9.327209 ?              ?        
1 1 1 7   20 43 o 22.44127 8.772040 20.81341       27.91774 0.000000       0.000000 20.81341       27.91774 ?        ?        22.44127 8.772040 ?              ?        
1 1 1 7   20 44 o 24.38378 10.81941 3.898000       51.46585 0.000000       0.000000 3.898000       51.46585 ?        ?        24.38378 10.81941 ?              ?        
1 1 1 7   20 45 o 54.99299 6.289437 160.0642       33.24699 0.000000       0.000000 160.0642       33.24699 ?        ?        54.99299 6.289437 ?              ?        
1 1 1 7   20 46 o 21.06068 8.496833 16.18711       26.99799 0.000000       0.000000 16.18711       26.99799 ?        ?        21.06068 8.496833 ?              ?        
1 1 1 7   20 47 o 27.45914 8.746601 43.33163       26.47428 0.000000       0.000000 43.33163       26.47428 ?        ?        27.45914 8.746601 ?              ?        
1 1 1 7   20 48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   20 49 o 31.94805 10.06457 62.38000       35.13924 0.000000       0.000000 62.38000       35.13924 ?        ?        31.94805 10.06457 ?              ?        
1 1 1 7   20 50 o 33.56950 9.850532 69.16000       34.47373 0.000000       0.000000 69.16000       34.47373 ?        ?        33.56950 9.850532 ?              ?        
1 1 1 7   20 51 o 49.45543 8.499092 140.8000       39.66031 0.000000       0.000000 140.8000       39.66031 ?        ?        49.45543 8.499092 ?              ?        
1 1 1 7   20 52 o 17.87409 8.178112 -10.94000      32.11379 0.000000       0.000000 -10.94000      32.11379 ?        ?        17.87409 8.178112 ?              ?        
1 1 1 7   20 53 o 24.26327 9.600387 28.80000       33.79593 0.000000       0.000000 28.80000       33.79593 ?        ?        24.26327 9.600387 ?              ?        
1 1 1 7   20 54 o 25.83453 9.864933 37.01000       34.70761 0.000000       0.000000 37.01000       34.70761 ?        ?        25.83453 9.864933 ?              ?        
1 1 1 7   20 55 o 30.74360 9.939875 60.04000       34.09962 0.000000       0.000000 60.04000       34.09962 ?        ?        30.74360 9.939875 ?              ?        
1 1 1 7   20 56 o 17.41639 7.677535 1.123997       25.50880 0.000000       0.000000 1.123997       25.50880 ?        ?        17.41639 7.677535 ?              ?        
1 1 1 7   21 0  o 319.0108 6.203356 5001.631       193.7039 5263.000       402.1013 4922.647       221.0423 324.8538 12.66995 316.2666 7.140290 8.587128       14.54343 
1 1 1 7   21 1  o 250.6346 5.054046 3082.992       123.9900 3224.000       256.7295 3040.096       141.5988 254.9796 10.30766 248.7725 5.815016 6.207138       11.83479 
1 1 1 7   21 2  o 309.2876 6.037834 4700.447       182.7889 4750.000       369.0452 4684.339       210.4116 308.7745 12.23468 308.5531 6.966804 0.2214050      14.07920 
1 1 1 7   21 3  o 204.5750 4.352560 2052.542       87.15724 2080.000       177.4411 2043.810       100.0597 205.0784 8.860415 204.0700 5.009262 1.008362       10.17839 
1 1 1 7   21 4  o 299.1092 5.871302 4395.498       171.8978 4768.000       363.3910 4288.117       195.1074 309.4118 12.02149 295.2503 6.751142 14.16150       13.78746 
1 1 1 7   21 5  o 385.4358 10.48887 7366.571       395.3514 7703.000       578.1109 7071.000       541.8697 391.4250 15.11728 375.2198 14.78269 16.20520       21.14380 
1 1 1 7   21 6  o 262.1063 5.256836 3372.897       134.8678 3309.000       267.3474 3394.709       156.1997 258.1567 10.60258 262.8139 6.071915 -4.657227      12.21814 
1 1 1 7   21 7  o 134.3815 5.141905 887.8058       67.50993 0.000000       0.000000 887.8058       67.50993 ?        ?        134.3815 5.141905 ?              ?        
1 1 1 7   21 8  o 268.9526 6.203508 3556.307       163.3125 0.000000       0.000000 3556.307       163.3125 ?        ?        268.9526 6.203508 ?              ?        
1 1 1 7   21 9  o 85.00102 3.464112 354.7060       28.76149 298.1000       60.26482 371.4019       32.72938 77.33060 8.080847 86.95048 3.855145 -9.619873      8.953337 
1 1 1 7   21 10 o 248.7402 7.168031 3049.948       174.3407 3005.000       243.7843 3097.000       249.4223 246.0163 10.14539 249.7319 10.22527 -3.715607      14.40434 
1 1 1 7   21 11 o 213.7425 6.415525 2249.736       134.0718 2089.000       181.2404 2444.000       199.2488 205.3332 9.039728 222.0828 9.185717 -16.74966      12.88775 
1 1 1 7   21 12 o 100.4969 5.399732 497.6322       52.92164 511.6000       71.58773 480.8000       78.58582 101.6328 7.243604 98.33505 8.240210 3.297752       10.97136 
1 1 1 7   21 13 f 191.9885 4.195773 1808.419       78.84847 1789.000       156.6830 1815.004       91.24403 190.0599 8.443272 192.1969 4.853997 -2.137054      9.739102 
1 1 1 7   21 14 o 248.3312 5.804880 3032.986       141.1012 3158.000       250.9722 2975.207       170.6205 251.9170 10.19907 245.5546 7.106141 6.362396       12.43054 
1 1 1 7   21 15 o 114.2955 3.316636 640.9456       37.06581 611.6000       76.85794 649.8392       42.31132 111.1428 7.101979 115.0454 3.762406 -3.902565      8.037027 
1 1 1 7   21 16 o 69.58525 3.698162 238.1736       25.09845 0.000000       0.000000 238.1736       25.09845 ?        ?        69.58525 3.698162 ?              ?        
1 1 1 7   21 17 o 166.3859 3.800914 1358.319       61.90287 1321.000       121.4888 1371.406       71.94247 163.2935 7.621859 167.0563 4.403471 -3.762772      8.802460 
1 1 1 7   21 18 o 91.86434 3.158005 414.2764       28.35435 477.9000       60.20654 396.1431       32.14199 98.25620 6.293129 89.78088 3.665191 8.475327       7.282658 
1 1 1 7   21 19 o 172.2569 3.866533 1456.629       65.19355 1431.000       126.9128 1465.816       75.98518 169.8186 7.654767 172.6487 4.500180 -2.830078      8.879587 
1 1 1 7   21 20 o 225.0863 5.357854 2495.481       118.0446 2761.000       215.7957 2382.104       141.0128 235.0293 9.399208 219.4655 6.571669 15.56378       11.46874 
1 1 1 7   21 21 o 100.7442 3.223728 498.5203       31.74863 464.3000       58.61113 512.7309       37.76977 96.73952 6.222708 102.1023 3.785778 -5.362816      7.283833 
1 1 1 7   21 22 o 82.51505 3.747968 335.2000       30.19256 0.000000       0.000000 335.2000       30.19256 ?        ?        82.51505 3.747968 ?              ?        
1 1 1 7   21 23 o 182.0305 4.010993 1629.776       71.46645 1503.000       131.4631 1682.958       85.14712 173.4649 7.762250 184.7435 4.712478 -11.27856      9.080748 
1 1 1 7   21 24 o 64.48276 6.255621 208.1206       38.98843 0.000000       0.000000 208.1206       38.98843 ?        ?        64.48276 6.255621 ?              ?        
1 1 1 7   21 25 o 97.24278 5.251347 469.0978       49.79895 0.000000       0.000000 469.0978       49.79895 ?        ?        97.24278 5.251347 ?              ?        
1 1 1 7   21 26 o 91.56663 5.410758 416.9680       48.27932 0.000000       0.000000 416.9680       48.27932 ?        ?        91.56663 5.410758 ?              ?        
1 1 1 7   21 27 o 56.88033 6.847276 164.0485       37.35709 0.000000       0.000000 164.0485       37.35709 ?        ?        56.88033 6.847276 ?              ?        
1 1 1 7   21 28 o 116.8033 7.234423 688.8000       82.30544 0.000000       0.000000 688.8000       82.30544 ?        ?        116.8033 7.234423 ?              ?        
1 1 1 7   21 29 o 122.3421 5.237107 745.8538       62.57019 0.000000       0.000000 745.8538       62.57019 ?        ?        122.3421 5.237107 ?              ?        
1 1 1 7   21 30 o 105.8088 7.617668 570.9000       78.36707 0.000000       0.000000 570.9000       78.36707 ?        ?        105.8088 7.617668 ?              ?        
1 1 1 7   21 31 o 88.43591 8.699083 406.1000       74.32867 0.000000       0.000000 406.1000       74.32867 ?        ?        88.43591 8.699083 ?              ?        
1 1 1 7   21 32 o 69.27512 6.368774 243.7837       42.70269 0.000000       0.000000 243.7837       42.70269 ?        ?        69.27512 6.368774 ?              ?        
1 1 1 7   21 33 o 82.93764 5.822904 347.2008       46.97091 0.000000       0.000000 347.2008       46.97091 ?        ?        82.93764 5.822904 ?              ?        
1 1 1 7   21 34 o 29.43628 9.986623 44.19913       34.30670 0.000000       0.000000 44.19913       34.30670 ?        ?        29.43628 9.986623 ?              ?        
1 1 1 7   21 35 o 63.20807 6.603467 205.1933       40.25350 0.000000       0.000000 205.1933       40.25350 ?        ?        63.20807 6.603467 ?              ?        
1 1 1 7   21 36 o 42.44398 8.713947 97.71342       34.98895 0.000000       0.000000 97.71342       34.98895 ?        ?        42.44398 8.713947 ?              ?        
1 1 1 7   21 37 o 57.81278 6.763548 173.8938       37.55153 0.000000       0.000000 173.8938       37.55153 ?        ?        57.81278 6.763548 ?              ?        
1 1 1 7   21 38 o 78.14115 5.703905 312.4138       43.32682 0.000000       0.000000 312.4138       43.32682 ?        ?        78.14115 5.703905 ?              ?        
1 1 1 7   21 39 o 82.24159 5.511387 346.2218       44.11074 0.000000       0.000000 346.2218       44.11074 ?        ?        82.24159 5.511387 ?              ?        
1 1 1 7   21 40 o 55.34299 6.527298 160.9174       34.67976 0.000000       0.000000 160.9174       34.67976 ?        ?        55.34299 6.527298 ?              ?        
1 1 1 7   21 41 o 28.33599 10.23469 42.81000       36.39318 0.000000       0.000000 42.81000       36.39318 ?        ?        28.33599 10.23469 ?              ?        
1 1 1 7   21 42 o 23.96157 9.010917 27.13243       28.69609 0.000000       0.000000 27.13243       28.69609 ?        ?        23.96157 9.010917 ?              ?        
1 1 1 7   21 43 o 21.13971 9.872345 -27.79000      50.45181 0.000000       0.000000 -27.79000      50.45181 ?        ?        21.13971 9.872345 ?              ?        
1 1 1 7   21 44 o 48.63338 6.840763 127.1467       31.66576 0.000000       0.000000 127.1467       31.66576 ?        ?        48.63338 6.840763 ?              ?        
1 1 1 7   21 45 o 16.02893 7.370367 -13.76055      26.52571 0.000000       0.000000 -13.76055      26.52571 ?        ?        16.02893 7.370367 ?              ?        
1 1 1 7   21 46 o 18.60026 8.014636 4.190582       26.47895 0.000000       0.000000 4.190582       26.47895 ?        ?        18.60026 8.014636 ?              ?        
1 1 1 7   21 47 o 22.39353 8.757582 22.62990       27.83678 0.000000       0.000000 22.62990       27.83678 ?        ?        22.39353 8.757582 ?              ?        
1 1 1 7   21 48 o 36.13910 8.861770 76.90112       31.10350 0.000000       0.000000 76.90112       31.10350 ?        ?        36.13910 8.861770 ?              ?        
1 1 1 7   21 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   21 50 o 68.91478 7.047045 259.8000       46.86779 0.000000       0.000000 259.8000       46.86779 ?        ?        68.91478 7.047045 ?              ?        
1 1 1 7   21 51 o 44.87011 9.152612 119.4000       38.83490 0.000000       0.000000 119.4000       38.83490 ?        ?        44.87011 9.152612 ?              ?        
1 1 1 7   21 52 o 38.79827 10.02697 93.94000       38.35254 0.000000       0.000000 93.94000       38.35254 ?        ?        38.79827 10.02697 ?              ?        
1 1 1 7   21 53 o 57.22879 7.868406 185.6000       42.91105 0.000000       0.000000 185.6000       42.91105 ?        ?        57.22879 7.868406 ?              ?        
1 1 1 7   21 54 o 29.18799 10.00740 53.28000       34.46525 0.000000       0.000000 53.28000       34.46525 ?        ?        29.18799 10.00740 ?              ?        
1 1 1 7   21 55 o 16.96694 7.595152 -2.570167      25.94805 0.000000       0.000000 -2.570167      25.94805 ?        ?        16.96694 7.595152 ?              ?        
1 1 1 7   22 0  o 152.7082 3.666081 1143.142       54.79873 1126.000       112.7111 1148.448       62.70921 150.9620 7.652651 152.9673 4.192144 -2.005295      8.725660 
1 1 1 7   22 1  o 178.0569 4.658807 1556.751       81.12722 1373.000       133.3152 1664.815       102.2364 166.6251 8.199148 183.9923 5.683564 -17.36719      9.976418 
1 1 1 7   22 2  o 137.7037 4.151165 930.8065       55.88889 1017.000       102.6025 894.4421       66.64368 143.5058 7.328629 134.8865 5.056543 8.619217       8.903788 
1 1 1 7   22 3  o 147.7053 5.400199 1072.935       77.94359 1117.000       110.3105 1029.000       110.1474 150.3755 7.518187 144.2581 7.829949 6.117432       10.85501 
1 1 1 7   22 4  o 47.41487 5.389458 111.8280       24.56967 0.000000       0.000000 111.8280       24.56967 ?        ?        47.41487 5.389458 ?              ?        
1 1 1 7   22 5  o 206.3560 4.404928 2089.101       88.97379 2222.000       184.8349 2049.019       101.5082 211.8419 8.933918 204.2859 5.076408 7.555939       10.27545 
1 1 1 7   22 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   22 7  o 199.5402 4.957560 1954.857       96.82883 2082.000       175.4264 1899.149       116.1200 205.0578 8.760207 196.4333 6.046485 8.624435       10.64430 
1 1 1 7   22 8  o 126.4503 4.003063 785.0036       49.48470 0.000000       0.000000 785.0036       49.48470 ?        ?        126.4503 4.003063 ?              ?        
1 1 1 7   22 9  o 103.9146 4.460531 530.8889       45.26442 0.000000       0.000000 530.8889       45.26442 ?        ?        103.9146 4.460531 ?              ?        
1 1 1 7   22 10 o 74.93144 5.559340 277.4975       40.48449 229.1000       60.39083 317.0000       54.55965 67.36971 9.414722 79.89484 7.048864 -12.52513      11.76110 
1 1 1 7   22 11 o 137.7581 5.356950 934.0779       72.09621 1024.000       102.5212 846.1000       101.4068 143.9049 7.302202 130.6406 7.968072 13.26428       10.80798 
1 1 1 7   22 12 o 85.02013 5.741609 357.1160       47.50147 389.5000       64.03803 317.5000       70.82851 88.53523 7.458814 79.51490 9.274168 9.020332       11.90143 
1 1 1 7   22 13 o 78.53899 5.887434 305.2148       44.93092 265.5000       58.61479 361.8000       69.96517 72.78726 8.379819 85.08386 8.515244 -12.29660      11.94700 
1 1 1 7   22 14 o 142.6535 3.536727 998.0643       49.38444 975.1000       100.1058 1005.451       56.77374 140.3335 7.312948 143.0756 4.058025 -2.742081      8.363419 
1 1 1 7   22 15 o 58.69514 3.643010 169.6539       20.82681 91.27000       48.03387 187.8014       23.11233 42.00276 11.39594 61.74587 3.843157 -19.74311      12.02653 
1 1 1 7   22 16 o 155.2573 3.652653 1182.724       55.50944 1117.000       108.0981 1206.261       64.69000 150.1212 7.379087 156.6716 4.222178 -6.550476      8.501630 
1 1 1 7   22 17 o 129.3781 3.370484 821.6783       42.64707 711.4000       80.77801 864.2958       50.21598 119.7834 6.918987 132.6302 3.872205 -12.84689      7.928831 
1 1 1 7   22 18 o 117.4803 3.259037 677.5899       37.44044 689.3000       74.95122 673.6964       43.21899 117.9440 6.517613 117.0794 3.776213 0.8646164      7.532534 
1 1 1 7   22 19 o 81.90076 3.199160 329.6145       25.59729 331.4000       50.97472 329.0125       29.59989 81.62672 6.431867 81.76929 3.707875 -0.1425781     7.424100 
1 1 1 7   22 20 f 116.5719 3.630385 668.0846       41.37358 567.5000       67.72945 727.9620       52.25690 106.8792 6.504881 121.5624 4.399010 -14.68313      7.852692 
1 1 1 7   22 21 o 37.95079 4.260448 71.74739       15.55343 147.7000       34.03332 51.69666       17.48631 54.21068 6.546156 31.85552 5.822478 22.35516       8.760902 
1 1 1 7   22 22 o 113.1482 3.242243 629.2905       35.87164 624.2000       65.90293 631.4337       42.76115 112.0969 6.028446 113.2384 3.863546 -1.141449      7.160248 
1 1 1 7   22 23 o 96.91008 3.839181 462.8865       36.34573 0.000000       0.000000 462.8865       36.34573 ?        ?        96.91008 3.839181 ?              ?        
1 1 1 7   22 24 o 175.8671 5.865363 1536.909       100.8272 0.000000       0.000000 1536.909       100.8272 ?        ?        175.8671 5.865363 ?              ?        
1 1 1 7   22 25 o 106.0049 5.266921 558.2737       54.47869 0.000000       0.000000 558.2737       54.47869 ?        ?        106.0049 5.266921 ?              ?        
1 1 1 7   22 26 o 43.97917 8.538577 101.1362       35.43129 0.000000       0.000000 101.1362       35.43129 ?        ?        43.97917 8.538577 ?              ?        
1 1 1 7   22 27 o 118.4229 7.336733 709.5000       84.62658 0.000000       0.000000 709.5000       84.62658 ?        ?        118.4229 7.336733 ?              ?        
1 1 1 7   22 28 o 40.58571 9.036481 87.66406       34.97620 0.000000       0.000000 87.66406       34.97620 ?        ?        40.58571 9.036481 ?              ?        
1 1 1 7   22 29 o 101.2673 7.831928 524.9000       77.02970 0.000000       0.000000 524.9000       77.02970 ?        ?        101.2673 7.831928 ?              ?        
1 1 1 7   22 30 o 117.6382 8.008229 711.0000       91.66299 0.000000       0.000000 711.0000       91.66299 ?        ?        117.6382 8.008229 ?              ?        
1 1 1 7   22 31 f 100.6840 5.389539 508.4287       52.92159 0.000000       0.000000 508.4287       52.92159 ?        ?        100.6840 5.389539 ?              ?        
1 1 1 7   22 32 o 126.4265 5.378442 801.7219       66.40603 0.000000       0.000000 801.7219       66.40603 ?        ?        126.4265 5.378442 ?              ?        
1 1 1 7   22 33 o 93.85957 5.469851 443.6548       50.03504 0.000000       0.000000 443.6548       50.03504 ?        ?        93.85957 5.469851 ?              ?        
1 1 1 7   22 34 o 27.10672 9.813099 34.77078       33.48085 0.000000       0.000000 34.77078       33.48085 ?        ?        27.10672 9.813099 ?              ?        
1 1 1 7   22 35 o 65.68656 6.271348 221.3465       39.83325 0.000000       0.000000 221.3465       39.83325 ?        ?        65.68656 6.271348 ?              ?        
1 1 1 7   22 36 o 43.13366 8.530031 101.2403       34.73774 0.000000       0.000000 101.2403       34.73774 ?        ?        43.13366 8.530031 ?              ?        
1 1 1 7   22 37 o 57.43615 6.903762 173.0667       38.03587 0.000000       0.000000 173.0667       38.03587 ?        ?        57.43615 6.903762 ?              ?        
1 1 1 7   22 38 f 51.80296 7.265813 143.0104       35.83064 0.000000       0.000000 143.0104       35.83064 ?        ?        51.80296 7.265813 ?              ?        
1 1 1 7   22 39 o 23.43392 9.090004 23.23704       29.79666 0.000000       0.000000 23.23704       29.79666 ?        ?        23.43392 9.090004 ?              ?        
1 1 1 7   22 40 o 28.50883 9.988791 44.30000       34.42054 0.000000       0.000000 44.30000       34.42054 ?        ?        28.50883 9.988791 ?              ?        
1 1 1 7   22 41 o 16.03525 7.398420 -16.01532      27.05139 0.000000       0.000000 -16.01532      27.05139 ?        ?        16.03525 7.398420 ?              ?        
1 1 1 7   22 42 o 35.09732 12.49458 76.50000       54.02573 0.000000       0.000000 76.50000       54.02573 ?        ?        35.09732 12.49458 ?              ?        
1 1 1 7   22 43 o 24.57120 9.026448 30.63497       28.47865 0.000000       0.000000 30.63497       28.47865 ?        ?        24.57120 9.026448 ?              ?        
1 1 1 7   22 44 o 28.79974 9.071539 47.67400       28.54813 0.000000       0.000000 47.67400       28.54813 ?        ?        28.79974 9.071539 ?              ?        
1 1 1 7   22 45 o 22.39758 8.789363 22.00893       28.12033 0.000000       0.000000 22.00893       28.12033 ?        ?        22.39758 8.789363 ?              ?        
1 1 1 7   22 46 o 29.71928 9.012174 52.02409       28.49054 0.000000       0.000000 52.02409       28.49054 ?        ?        29.71928 9.012174 ?              ?        
1 1 1 7   22 47 o 42.93363 7.757041 103.7959       31.39922 0.000000       0.000000 103.7959       31.39922 ?        ?        42.93363 7.757041 ?              ?        
1 1 1 7   22 48 o 71.26167 7.005852 277.0000       48.23674 0.000000       0.000000 277.0000       48.23674 ?        ?        71.26167 7.005852 ?              ?        
1 1 1 7   22 49 o 29.67491 10.00263 53.56000       34.41481 0.000000       0.000000 53.56000       34.41481 ?        ?        29.67491 10.00263 ?              ?        
1 1 1 7   22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   22 51 o 25.24151 9.843065 33.26000       35.08296 0.000000       0.000000 33.26000       35.08296 ?        ?        25.24151 9.843065 ?              ?        
1 1 1 7   22 52 o 23.71378 9.470483 26.52000       33.18306 0.000000       0.000000 26.52000       33.18306 ?        ?        23.71378 9.470483 ?              ?        
1 1 1 7   22 53 o 20.67097 8.820429 11.55000       31.49623 0.000000       0.000000 11.55000       31.49623 ?        ?        20.67097 8.820429 ?              ?        
1 1 1 7   22 54 o 27.78120 9.864460 47.89000       33.65472 0.000000       0.000000 47.89000       33.65472 ?        ?        27.78120 9.864460 ?              ?        
1 1 1 7   22 55 o 21.64762 8.556388 22.71580       26.81924 0.000000       0.000000 22.71580       26.81924 ?        ?        21.64762 8.556388 ?              ?        
1 1 1 7   23 0  o 209.7561 4.409415 2159.002       90.53194 2288.000       190.1541 2121.192       102.9483 214.8349 9.062986 207.8243 5.060770 7.010590       10.38023 
1 1 1 7   23 1  o 172.6374 4.549587 1463.759       76.81296 1332.000       129.7348 1534.880       95.31543 164.0452 8.104636 176.6401 5.519515 -12.59497      9.805619 
1 1 1 7   23 2  o 119.1386 3.376679 696.3177       39.33783 606.0000       81.58199 723.6786       44.90271 110.5862 7.582691 121.4226 3.782656 -10.83638      8.473824 
1 1 1 7   23 3  o 195.1928 4.203016 1869.241       80.30285 1938.000       166.7137 1848.468       91.63367 197.7927 8.631810 194.0299 4.824811 3.762787       9.888728 
1 1 1 7   23 4  o 305.1853 6.924506 4588.997       206.8515 4727.000       365.7233 4524.084       250.8255 307.3699 12.17996 302.3984 8.482329 4.971466       14.84255 
1 1 1 7   23 5  o 245.9965 4.988120 2972.214       120.1081 3103.000       248.2888 2932.259       137.2334 249.7533 10.17772 244.1966 5.741350 5.556625       11.68542 
1 1 1 7   23 6  o 94.31309 3.356948 436.5988       30.94066 443.8000       68.50341 434.7533       34.67956 94.55485 7.461983 94.07726 3.773679 0.4775925      8.361928 
1 1 1 7   23 7  o 107.9748 4.885322 573.7678       51.49861 682.4000       80.49741 498.5000       67.00496 117.4445 7.034576 100.3439 6.863290 17.10056       9.828022 
1 1 1 7   23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   23 9  o 200.3754 4.948350 1972.468       97.05348 0.000000       0.000000 1972.468       97.05348 ?        ?        200.3754 4.948350 ?              ?        
1 1 1 7   23 10 o 69.81924 4.067746 240.0193       27.67899 0.000000       0.000000 240.0193       27.67899 ?        ?        69.81924 4.067746 ?              ?        
1 1 1 7   23 11 o 216.3276 5.217961 2300.979       110.4890 2651.000       210.7777 2168.357       129.7433 230.8430 9.347617 209.6794 6.328786 21.16362       11.28856 
1 1 1 7   23 12 o 207.1455 6.320581 2116.906       128.0060 2150.000       181.2864 2084.000       180.7704 207.9405 8.927558 204.6755 9.045432 3.265015       12.70910 
1 1 1 7   23 13 o 28.83877 8.707191 41.61497       26.63549 19.67000       47.84078 51.47309       32.06475 28.21916 11.33668 31.95388 9.532065 -3.734720      14.81150 
1 1 1 7   23 14 o 198.2917 4.242725 1931.241       82.34849 2117.000       174.0571 1877.671       93.47136 206.2829 8.639426 195.3471 4.892233 10.93573       9.928426 
1 1 1 7   23 15 o 111.2130 3.255357 607.2046       35.39914 662.0000       75.76189 591.9009       40.03840 115.5577 6.727097 109.7475 3.732572 5.810143       7.693239 
1 1 1 7   23 16 f 137.3988 3.434337 926.4405       46.18830 960.1000       94.42493 915.8536       52.95623 139.1227 6.956045 136.4928 3.967916 2.629898       8.008179 
1 1 1 7   23 17 o 55.24379 3.481514 150.4072       18.73025 148.9000       43.41834 150.7518       20.76143 54.05650 8.484885 55.26313 3.862409 -1.206635      9.322633 
1 1 1 7   23 18 o 52.89909 3.811092 138.2016       19.60122 0.000000       0.000000 138.2016       19.60122 ?        ?        52.89909 3.811092 ?              ?        
1 1 1 7   23 19 o 141.1735 4.051186 980.9831       55.92324 0.000000       0.000000 980.9831       55.92324 ?        ?        141.1735 4.051186 ?              ?        
1 1 1 7   23 20 o 45.83752 3.797971 104.0196       16.88754 66.72000       36.01152 114.5346       19.12029 35.78954 9.930745 48.07007 4.102806 -12.28053      10.74489 
1 1 1 7   23 21 o 51.87973 4.145721 133.3863       20.87748 0.000000       0.000000 133.3863       20.87748 ?        ?        51.87973 4.145721 ?              ?        
1 1 1 7   23 22 o 76.35641 3.740513 287.6297       27.87143 0.000000       0.000000 287.6297       27.87143 ?        ?        76.35641 3.740513 ?              ?        
1 1 1 7   23 23 o 77.07464 3.022171 292.3600       22.75591 314.0000       38.81177 281.0240       28.09081 79.50327 5.012898 75.43771 3.816656 4.065552       6.300477 
1 1 1 7   23 24 o 59.22695 6.708944 177.4843       38.20957 0.000000       0.000000 177.4843       38.20957 ?        ?        59.22695 6.708944 ?              ?        
1 1 1 7   23 25 o 122.8330 7.301622 761.9000       87.39296 0.000000       0.000000 761.9000       87.39296 ?        ?        122.8330 7.301622 ?              ?        
1 1 1 7   23 26 o 54.53743 9.735076 157.6000       50.06169 0.000000       0.000000 157.6000       50.06169 ?        ?        54.53743 9.735076 ?              ?        
1 1 1 7   23 27 o 80.07600 5.723298 321.8672       44.56377 0.000000       0.000000 321.8672       44.56377 ?        ?        80.07600 5.723298 ?              ?        
1 1 1 7   23 28 o 76.69881 8.915115 306.8000       65.68437 0.000000       0.000000 306.8000       65.68437 ?        ?        76.69881 8.915115 ?              ?        
1 1 1 7   23 29 o 58.13861 7.253204 174.1043       40.38097 0.000000       0.000000 174.1043       40.38097 ?        ?        58.13861 7.253204 ?              ?        
1 1 1 7   23 30 o 95.94641 5.563969 462.8576       52.02985 0.000000       0.000000 462.8576       52.02985 ?        ?        95.94641 5.563969 ?              ?        
1 1 1 7   23 31 o 44.10658 8.785707 104.1900       36.59735 0.000000       0.000000 104.1900       36.59735 ?        ?        44.10658 8.785707 ?              ?        
1 1 1 7   23 32 f 83.48119 5.698187 352.3376       46.28284 0.000000       0.000000 352.3376       46.28284 ?        ?        83.48119 5.698187 ?              ?        
1 1 1 7   23 33 o 59.33782 6.922369 182.1029       39.45180 0.000000       0.000000 182.1029       39.45180 ?        ?        59.33782 6.922369 ?              ?        
1 1 1 7   23 34 o 23.82806 9.479707 19.78643       33.12206 0.000000       0.000000 19.78643       33.12206 ?        ?        23.82806 9.479707 ?              ?        
1 1 1 7   23 35 o 39.50406 9.059152 86.35832       34.28171 0.000000       0.000000 86.35832       34.28171 ?        ?        39.50406 9.059152 ?              ?        
1 1 1 7   23 36 o 50.16513 7.689962 134.7212       36.55791 0.000000       0.000000 134.7212       36.55791 ?        ?        50.16513 7.689962 ?              ?        
1 1 1 7   23 37 o 62.43158 6.365844 203.2871       38.35780 0.000000       0.000000 203.2871       38.35780 ?        ?        62.43158 6.365844 ?              ?        
1 1 1 7   23 38 o 28.40642 9.514594 44.25783       31.14171 0.000000       0.000000 44.25783       31.14171 ?        ?        28.40642 9.514594 ?              ?        
1 1 1 7   23 39 o 107.5016 6.926452 609.8000       72.49609 0.000000       0.000000 609.8000       72.49609 ?        ?        107.5016 6.926452 ?              ?        
1 1 1 7   23 40 o 31.51571 8.946084 56.72924       28.87658 0.000000       0.000000 56.72924       28.87658 ?        ?        31.51571 8.946084 ?              ?        
1 1 1 7   23 41 o 36.32847 12.59022 83.58000       54.60287 0.000000       0.000000 83.58000       54.60287 ?        ?        36.32847 12.59022 ?              ?        
1 1 1 7   23 42 o 28.01272 9.097919 44.42900       28.54853 0.000000       0.000000 44.42900       28.54853 ?        ?        28.01272 9.097919 ?              ?        
1 1 1 7   23 43 o 18.35157 7.938635 2.738852       26.18057 0.000000       0.000000 2.738852       26.18057 ?        ?        18.35157 7.938635 ?              ?        
1 1 1 7   23 44 o 67.51521 5.704507 238.8541       37.34623 0.000000       0.000000 238.8541       37.34623 ?        ?        67.51521 5.704507 ?              ?        
1 1 1 7   23 45 o 22.67511 8.786080 23.95611       27.81449 0.000000       0.000000 23.95611       27.81449 ?        ?        22.67511 8.786080 ?              ?        
1 1 1 7   23 46 o 19.90005 8.400389 9.945132       28.04887 0.000000       0.000000 9.945132       28.04887 ?        ?        19.90005 8.400389 ?              ?        
1 1 1 7   23 47 o 40.50415 9.421623 98.52000       36.64669 0.000000       0.000000 98.52000       36.64669 ?        ?        40.50415 9.421623 ?              ?        
1 1 1 7   23 48 o 17.07746 7.912252 -16.09000      31.41729 0.000000       0.000000 -16.09000      31.41729 ?        ?        17.07746 7.912252 ?              ?        
1 1 1 7   23 49 o 32.43699 10.20112 65.88000       36.11398 0.000000       0.000000 65.88000       36.11398 ?        ?        32.43699 10.20112 ?              ?        
1 1 1 7   23 50 o 17.03068 7.995075 -22.54000      33.82212 0.000000       0.000000 -22.54000      33.82212 ?        ?        17.03068 7.995075 ?              ?        
1 1 1 7   23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   23 52 o 47.98184 8.434348 134.6000       38.16753 0.000000       0.000000 134.6000       38.16753 ?        ?        47.98184 8.434348 ?              ?        
1 1 1 7   23 53 o 23.90015 9.383204 29.79000       32.06076 0.000000       0.000000 29.79000       32.06076 ?        ?        23.90015 9.383204 ?              ?        
1 1 1 7   23 54 o 20.85788 8.414454 19.04965       26.47509 0.000000       0.000000 19.04965       26.47509 ?        ?        20.85788 8.414454 ?              ?        
1 1 1 7   24 0  o 124.2097 3.385252 756.9669       41.11946 805.0000       90.81380 744.5797       46.11781 127.5213 7.306081 123.1450 3.830667 4.376305       8.249413 
1 1 1 7   24 1  o 235.3508 5.602982 2724.072       129.0747 2580.000       217.6497 2802.229       160.3065 227.7123 9.787702 238.3132 6.879418 -10.60092      11.96351 
1 1 1 7   24 2  o 81.46391 3.407202 325.9473       27.10875 330.5000       63.49319 324.9324       29.97850 81.37585 8.077749 81.30376 3.777302 0.7209015E-01  8.917289 
1 1 1 7   24 3  o 155.9557 3.687424 1192.914       56.28990 1297.000       121.9191 1164.716       63.45836 161.8543 7.717815 153.9939 4.213932 7.860397       8.793286 
1 1 1 7   24 4  o 138.8060 5.206261 948.3654       70.61063 998.2000       102.5263 903.4000       97.38870 142.0046 7.401647 135.0762 7.394063 6.928406       10.46215 
1 1 1 7   24 5  o 224.3160 4.650627 2471.364       102.1123 2522.000       208.6157 2455.409       117.0990 225.1556 9.487074 223.4622 5.353560 1.693375       10.89335 
1 1 1 7   24 6  o 217.6600 5.224824 2329.344       111.3157 2464.000       202.0922 2270.696       133.3719 222.5728 9.296696 214.5737 6.357126 7.999146       11.26240 
1 1 1 7   24 7  o 89.58183 3.798937 394.4400       33.23542 387.8000       65.24350 396.7668       38.62219 88.25031 7.627723 89.77973 4.408414 -1.529427      8.810010 
1 1 1 7   24 8  o 117.7475 3.354224 680.4631       38.61956 798.4000       86.45121 651.0601       43.16610 126.9835 6.982202 115.1229 3.836030 11.86059       7.966572 
1 1 1 7   24 9  o 167.7537 5.335928 1385.917       87.50556 0.000000       0.000000 1385.917       87.50556 ?        ?        167.7537 5.335928 ?              ?        
1 1 1 7   24 10 o 181.6689 7.782460 1637.000       138.0690 0.000000       0.000000 1637.000       138.0690 ?        ?        181.6689 7.782460 ?              ?        
1 1 1 7   24 11 o 55.46059 4.429060 152.0847       23.84411 0.000000       0.000000 152.0847       23.84411 ?        ?        55.46059 4.429060 ?              ?        
1 1 1 7   24 12 o 44.16559 4.622803 96.93367       19.68891 42.25000       47.46909 108.2960       21.63795 31.90270 11.66441 46.68254 4.803882 -14.77984      12.61490 
1 1 1 7   24 13 o 45.50887 6.263478 104.1268       27.16164 61.01000       47.36298 125.2558       33.15547 35.47409 11.72982 49.84703 6.986912 -14.37294      13.65304 
1 1 1 7   24 14 o 56.47406 5.184335 158.4071       28.33867 117.6000       48.16576 180.0119       35.04655 47.47605 10.62986 60.08585 6.040792 -12.60979      12.22641 
1 1 1 7   24 15 o 49.72576 3.786087 122.1668       18.28947 102.7000       44.88107 126.0432       20.02787 44.31256 10.50779 50.47418 4.088748 -6.161621      11.27526 
1 1 1 7   24 16 o 143.4646 3.486937 1010.776       48.96605 1269.000       110.2374 947.3043       54.65363 159.7521 7.067285 138.7501 4.028464 21.00198       8.134805 
1 1 1 7   24 17 o 75.53115 3.173654 280.5623       23.41117 312.4000       51.22379 272.1560       26.32102 79.08419 6.679621 74.33340 3.628495 4.750793       7.601534 
1 1 1 7   24 18 o 33.49943 4.278723 56.14150       13.71018 56.21000       37.02810 56.13062       14.75917 33.27185 10.30913 33.43404 4.634354 -0.1621895     11.30290 
1 1 1 7   24 19 o 178.8597 3.974860 1574.829       69.58901 1777.000       145.7973 1515.183       79.19176 188.2146 7.931665 175.2014 4.621848 13.01323       9.180021 
1 1 1 7   24 20 o 124.3779 3.998679 762.7709       48.61845 860.9000       81.28654 708.1133       60.66594 131.4229 6.337579 119.5265 5.197734 11.89642       8.196423 
1 1 1 7   24 21 o 170.2764 3.841318 1428.234       64.02370 1535.000       127.9827 1392.597       73.94067 174.7986 7.497526 167.8770 4.503794 6.921677       8.746259 
1 1 1 7   24 22 o 87.58533 3.052413 377.5640       26.12862 378.2000       45.84368 377.2579       31.79906 87.14031 5.401249 87.42981 3.724299 -0.2894974     6.560785 
1 1 1 7   24 23 o 59.66224 3.889385 176.3085       22.58982 0.000000       0.000000 176.3085       22.58982 ?        ?        59.66224 3.889385 ?              ?        
1 1 1 7   24 24 o 186.2352 8.672601 1774.000       157.6606 0.000000       0.000000 1774.000       157.6606 ?        ?        186.2352 8.672601 ?              ?        
1 1 1 7   24 25 o 118.1749 5.366302 697.1316       61.91154 0.000000       0.000000 697.1316       61.91154 ?        ?        118.1749 5.366302 ?              ?        
1 1 1 7   24 26 o 87.89810 5.574317 387.3665       47.71273 0.000000       0.000000 387.3665       47.71273 ?        ?        87.89810 5.574317 ?              ?        
1 1 1 7   24 27 o 82.05902 9.070500 352.2000       71.64111 0.000000       0.000000 352.2000       71.64111 ?        ?        82.05902 9.070500 ?              ?        
1 1 1 7   24 28 o 82.82081 5.897057 346.1318       47.49311 0.000000       0.000000 346.1318       47.49311 ?        ?        82.82081 5.897057 ?              ?        
1 1 1 7   24 29 o 105.6758 5.408437 560.7272       55.75794 0.000000       0.000000 560.7272       55.75794 ?        ?        105.6758 5.408437 ?              ?        
1 1 1 7   24 30 o 61.38974 6.901629 193.9117       40.75431 0.000000       0.000000 193.9117       40.75431 ?        ?        61.38974 6.901629 ?              ?        
1 1 1 7   24 31 o 72.41534 6.124631 267.0533       43.00600 0.000000       0.000000 267.0533       43.00600 ?        ?        72.41534 6.124631 ?              ?        
1 1 1 7   24 32 o 30.81631 10.01615 50.63648       34.59834 0.000000       0.000000 50.63648       34.59834 ?        ?        30.81631 10.01615 ?              ?        
1 1 1 7   24 33 o 105.5144 5.338316 562.8347       54.95523 0.000000       0.000000 562.8347       54.95523 ?        ?        105.5144 5.338316 ?              ?        
1 1 1 7   24 34 o 52.30849 7.511988 145.0700       37.36010 0.000000       0.000000 145.0700       37.36010 ?        ?        52.30849 7.511988 ?              ?        
1 1 1 7   24 35 o 45.65749 8.454275 114.1286       36.39170 0.000000       0.000000 114.1286       36.39170 ?        ?        45.65749 8.454275 ?              ?        
1 1 1 7   24 36 o 37.10670 9.209828 78.12764       33.29352 0.000000       0.000000 78.12764       33.29352 ?        ?        37.10670 9.209828 ?              ?        
1 1 1 7   24 37 o 31.76705 9.462854 57.55133       31.61832 0.000000       0.000000 57.55133       31.61832 ?        ?        31.76705 9.462854 ?              ?        
1 1 1 7   24 38 o 32.67147 10.29511 62.31000       36.76522 0.000000       0.000000 62.31000       36.76522 ?        ?        32.67147 10.29511 ?              ?        
1 1 1 7   24 39 o 27.99110 9.168603 43.72213       28.96309 0.000000       0.000000 43.72213       28.96309 ?        ?        27.99110 9.168603 ?              ?        
1 1 1 7   24 40 f 45.13821 12.51063 131.2000       57.18821 0.000000       0.000000 131.2000       57.18821 ?        ?        45.13821 12.51063 ?              ?        
1 1 1 7   24 41 o 38.63748 8.297878 84.40046       30.44499 0.000000       0.000000 84.40046       30.44499 ?        ?        38.63748 8.297878 ?              ?        
1 1 1 7   24 42 o 26.40489 8.974168 38.78864       27.70446 0.000000       0.000000 38.78864       27.70446 ?        ?        26.40489 8.974168 ?              ?        
1 1 1 7   24 43 o 34.77262 8.500151 69.94976       28.68423 0.000000       0.000000 69.94976       28.68423 ?        ?        34.77262 8.500151 ?              ?        
1 1 1 7   24 44 o 48.93103 6.790927 130.2560       31.64964 0.000000       0.000000 130.2560       31.64964 ?        ?        48.93103 6.790927 ?              ?        
1 1 1 7   24 45 o 28.04119 9.231800 46.30988       29.34866 0.000000       0.000000 46.30988       29.34866 ?        ?        28.04119 9.231800 ?              ?        
1 1 1 7   24 46 o 59.53241 6.123384 189.0752       35.17390 0.000000       0.000000 189.0752       35.17390 ?        ?        59.53241 6.123384 ?              ?        
1 1 1 7   24 47 o 65.04858 7.288558 233.6000       45.61015 0.000000       0.000000 233.6000       45.61015 ?        ?        65.04858 7.288558 ?              ?        
1 1 1 7   24 48 o 24.03162 9.549138 27.56000       33.56982 0.000000       0.000000 27.56000       33.56982 ?        ?        24.03162 9.549138 ?              ?        
1 1 1 7   24 49 o 24.18563 9.880881 26.04000       37.04741 0.000000       0.000000 26.04000       37.04741 ?        ?        24.18563 9.880881 ?              ?        
1 1 1 7   24 50 o 21.69349 9.161790 15.07000       33.38966 0.000000       0.000000 15.07000       33.38966 ?        ?        21.69349 9.161790 ?              ?        
1 1 1 7   24 51 o 63.40557 7.338690 224.8000       44.70630 0.000000       0.000000 224.8000       44.70630 ?        ?        63.40557 7.338690 ?              ?        
1 1 1 7   24 52 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   24 53 o 19.86289 8.586473 9.300000       30.58574 0.000000       0.000000 9.300000       30.58574 ?        ?        19.86289 8.586473 ?              ?        
1 1 1 7   25 0  o 175.2897 3.926663 1508.108       67.37306 1484.000       136.7561 1515.834       77.42011 172.8969 8.103323 175.6012 4.507952 -2.704330      9.272835 
1 1 1 7   25 1  o 98.78058 3.352461 479.0991       32.36769 435.9000       68.84165 491.3593       36.67425 93.57785 7.580595 99.99734 3.753515 -6.419487      8.458978 
1 1 1 7   25 2  o 238.8488 4.879147 2804.540       114.0704 2893.000       234.0603 2776.985       130.6344 240.7018 9.955904 237.4998 5.619374 3.202011       11.43230 
1 1 1 7   25 3  o 124.3177 3.407044 758.6190       41.41974 763.1000       87.32954 757.3184       47.04825 124.0506 7.223353 124.1573 3.876122 -0.1066513     8.197631 
1 1 1 7   25 4  o 172.6448 3.900147 1463.048       65.90839 1567.000       139.1351 1432.973       74.83757 177.6596 8.021646 170.7228 4.482267 6.936798       9.188990 
1 1 1 7   25 5  o 82.78516 3.833140 337.0995       30.97654 323.0000       61.40744 341.9118       35.87552 80.37161 7.908013 83.30768 4.415304 -2.936066      9.057129 
1 1 1 7   25 6  o 191.9816 5.890578 1818.147       110.5629 1715.000       154.6449 1926.000       158.1326 185.6464 8.533079 196.8706 8.224166 -11.22420      11.85118 
1 1 1 7   25 7  o 176.9879 4.606227 1540.879       79.73077 1576.000       141.1962 1524.438       96.60712 178.0514 8.123006 175.8230 5.620639 2.228455       9.877996 
1 1 1 7   25 8  o 144.7169 4.130268 1029.584       58.44658 1090.000       106.3963 1003.474       69.94512 148.1959 7.357741 142.7168 5.014778 5.479141       8.904176 
1 1 1 7   25 9  o 81.18912 3.987275 324.5315       31.59001 350.1000       60.64623 315.0109       37.00695 83.73224 7.478172 79.88557 4.754201 3.846672       8.861461 
1 1 1 7   25 10 o 112.3300 3.782883 620.3288       41.53409 0.000000       0.000000 620.3288       41.53409 ?        ?        112.3300 3.782883 ?              ?        
1 1 1 7   25 11 o 92.19363 4.351493 418.8801       39.15778 0.000000       0.000000 418.8801       39.15778 ?        ?        92.19363 4.351493 ?              ?        
1 1 1 7   25 12 o 91.62887 3.826349 413.2175       34.24257 388.5000       62.22391 423.9547       41.01108 88.18991 7.272878 92.71010 4.533008 -4.520187      8.569884 
1 1 1 7   25 13 o 138.8168 4.190733 948.6303       56.87750 1040.000       99.88614 904.7891       69.19030 144.5883 7.079264 135.3468 5.232510 9.241531       8.803132 
1 1 1 7   25 14 o 66.16330 4.583202 216.6116       29.49850 274.7000       49.99495 185.5889       36.53600 74.06466 6.978434 60.92205 6.213796 13.14260       9.343971 
1 1 1 7   25 15 o 88.38544 3.155015 384.0533       27.25155 517.6000       61.48239 351.4013       30.40103 102.0247 6.185637 84.46901 3.685797 17.55569       7.200500 
1 1 1 7   25 16 o 77.62441 3.175094 296.4328       24.07374 285.7000       50.86625 299.5308       27.32812 75.45957 6.965230 77.97374 3.590231 -2.514168      7.836082 
1 1 1 7   25 17 o 51.61737 3.471600 131.5814       17.43809 163.1000       41.51168 124.8277       19.21576 56.61095 7.690060 50.20226 3.942062 6.408688       8.641578 
1 1 1 7   25 18 o 82.53596 3.060072 335.1402       24.67906 389.1000       52.17962 319.5916       28.00994 88.29572 6.074485 80.52079 3.562661 7.774933       7.042153 
1 1 1 7   25 19 o 71.43593 3.124176 251.3149       21.79249 275.6000       44.35128 243.5855       25.02135 74.17152 6.164567 70.24622 3.651531 3.925301       7.164884 
1 1 1 7   25 20 f 38.70559 4.675950 75.13214       17.35673 0.000000       0.000000 75.13214       17.35673 ?        ?        38.70559 4.675950 ?              ?        
1 1 1 7   25 21 o 47.79268 3.379179 113.0021       15.70614 116.7000       28.29956 111.3560       18.88091 47.99082 6.166782 47.31830 4.117458 0.6725159      7.415029 
1 1 1 7   25 22 o 17.24101 5.656142 14.25194       11.02064 30.94000       18.02589 4.290972       13.92659 24.51778 7.102845 14.84326 6.060409 9.674525       9.336967 
1 1 1 7   25 23 o 66.94205 8.027706 230.9000       51.55337 0.000000       0.000000 230.9000       51.55337 ?        ?        66.94205 8.027706 ?              ?        
1 1 1 7   25 24 o 42.45946 8.882606 95.82520       35.72844 0.000000       0.000000 95.82520       35.72844 ?        ?        42.45946 8.882606 ?              ?        
1 1 1 7   25 25 o 66.42242 6.473519 224.1246       41.55487 0.000000       0.000000 224.1246       41.55487 ?        ?        66.42242 6.473519 ?              ?        
1 1 1 7   25 26 f 47.88242 12.88404 130.5000       61.70329 0.000000       0.000000 130.5000       61.70329 ?        ?        47.88242 12.88404 ?              ?        
1 1 1 7   25 27 o 37.23149 10.02992 75.75272       37.36708 0.000000       0.000000 75.75272       37.36708 ?        ?        37.23149 10.02992 ?              ?        
1 1 1 7   25 28 o 59.68649 7.217331 184.0896       41.31036 0.000000       0.000000 184.0896       41.31036 ?        ?        59.68649 7.217331 ?              ?        
1 1 1 7   25 29 f 70.96510 6.259602 256.6918       43.03555 0.000000       0.000000 256.6918       43.03555 ?        ?        70.96510 6.259602 ?              ?        
1 1 1 7   25 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   25 31 o 22.22819 9.267375 10.13459       33.49004 0.000000       0.000000 10.13459       33.49004 ?        ?        22.22819 9.267375 ?              ?        
1 1 1 7   25 32 o 67.78447 6.215330 236.1740       40.77971 0.000000       0.000000 236.1740       40.77971 ?        ?        67.78447 6.215330 ?              ?        
1 1 1 7   25 33 f 68.58033 6.146263 242.4567       40.82180 0.000000       0.000000 242.4567       40.82180 ?        ?        68.58033 6.146263 ?              ?        
1 1 1 7   25 34 o 52.32668 7.519536 146.3878       37.40936 0.000000       0.000000 146.3878       37.40936 ?        ?        52.32668 7.519536 ?              ?        
1 1 1 7   25 35 o 20.87403 8.845177 7.779408       31.29399 0.000000       0.000000 7.779408       31.29399 ?        ?        20.87403 8.845177 ?              ?        
1 1 1 7   25 36 o 43.53358 7.978185 104.0328       32.74410 0.000000       0.000000 104.0328       32.74410 ?        ?        43.53358 7.978185 ?              ?        
1 1 1 7   25 37 o 24.82400 9.773387 26.63000       34.86779 0.000000       0.000000 26.63000       34.86779 ?        ?        24.82400 9.773387 ?              ?        
1 1 1 7   25 38 o 71.75144 5.528298 266.0477       38.52734 0.000000       0.000000 266.0477       38.52734 ?        ?        71.75144 5.528298 ?              ?        
1 1 1 7   25 39 o 40.73234 12.71052 108.3000       56.17783 0.000000       0.000000 108.3000       56.17783 ?        ?        40.73234 12.71052 ?              ?        
1 1 1 7   25 40 o 33.25657 8.803564 63.92551       29.10267 0.000000       0.000000 63.92551       29.10267 ?        ?        33.25657 8.803564 ?              ?        
1 1 1 7   25 41 o 29.79585 8.866174 51.45551       27.76830 0.000000       0.000000 51.45551       27.76830 ?        ?        29.79585 8.866174 ?              ?        
1 1 1 7   25 42 o 18.83286 8.093046 4.979829       26.86113 0.000000       0.000000 4.979829       26.86113 ?        ?        18.83286 8.093046 ?              ?        
1 1 1 7   25 43 f 20.10086 8.328399 12.50394       26.80843 0.000000       0.000000 12.50394       26.80843 ?        ?        20.10086 8.328399 ?              ?        
1 1 1 7   25 44 o 71.76799 5.483906 270.1319       38.23186 0.000000       0.000000 270.1319       38.23186 ?        ?        71.76799 5.483906 ?              ?        
1 1 1 7   25 45 o 49.28372 6.992096 133.3455       32.78437 0.000000       0.000000 133.3455       32.78437 ?        ?        49.28372 6.992096 ?              ?        
1 1 1 7   25 46 o 41.85937 9.450473 105.8000       37.80138 0.000000       0.000000 105.8000       37.80138 ?        ?        41.85937 9.450473 ?              ?        
1 1 1 7   25 47 o 41.77472 9.430989 105.6000       37.64693 0.000000       0.000000 105.6000       37.64693 ?        ?        41.77472 9.430989 ?              ?        
1 1 1 7   25 48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   25 49 o 21.24792 9.124039 11.51000       34.09283 0.000000       0.000000 11.51000       34.09283 ?        ?        21.24792 9.124039 ?              ?        
1 1 1 7   25 50 o 39.28251 9.525793 95.16000       36.24511 0.000000       0.000000 95.16000       36.24511 ?        ?        39.28251 9.525793 ?              ?        
1 1 1 7   25 51 o 21.33330 8.932377 16.37000       31.31126 0.000000       0.000000 16.37000       31.31126 ?        ?        21.33330 8.932377 ?              ?        
1 1 1 7   25 52 o 15.70571 7.389010 -19.86000      29.16265 0.000000       0.000000 -19.86000      29.16265 ?        ?        15.70571 7.389010 ?              ?        
1 1 1 7   26 0  o 92.18555 3.340568 417.5116       30.09336 459.4000       68.51172 407.4979       33.49781 96.02749 7.344654 91.02411 3.767852 5.003380       8.254734 
1 1 1 7   26 1  o 102.1554 3.305110 512.5453       33.00515 593.0000       74.88086 493.1460       36.76959 109.2394 7.040509 100.1494 3.757554 9.090027       7.980475 
1 1 1 7   26 2  o 122.3411 3.390751 735.0215       40.56537 744.0000       85.95959 732.4492       46.01097 122.3610 7.208976 122.0659 3.855724 0.2951508      8.175325 
1 1 1 7   26 3  o 142.8021 3.581455 1001.650       50.02160 985.5000       103.0537 1006.627       57.21358 140.7868 7.505294 143.0785 4.089446 -2.291626      8.547105 
1 1 1 7   26 4  o 272.4544 6.286419 3667.227       167.6499 3959.000       306.7938 3543.004       200.1823 280.0431 11.21488 267.0891 7.665007 12.95398       13.58403 
1 1 1 7   26 5  o 87.43909 3.385141 375.7934       28.91794 446.1000       66.20459 359.2168       32.14676 94.60982 7.203150 85.43099 3.854210 9.178825       8.169474 
1 1 1 7   26 6  o 149.9984 3.631312 1104.830       53.31585 1220.000       114.8073 1073.162       60.20113 156.5995 7.511752 147.6972 4.168317 8.902359       8.590768 
1 1 1 7   26 7  o 189.1719 5.833475 1768.653       107.8874 1800.000       157.5892 1741.000       148.0125 189.8093 8.503680 186.8383 8.112647 2.971024       11.75277 
1 1 1 7   26 8  o 163.6120 5.343832 1321.659       85.46558 1381.000       128.0593 1274.000       114.7639 166.4014 7.884693 160.0095 7.347067 6.391922       10.77719 
1 1 1 7   26 9  f 129.2507 4.066343 822.2326       51.38099 784.1000       90.12080 840.5972       62.54142 125.4058 7.374322 130.5215 4.904023 -5.115662      8.856075 
1 1 1 7   26 10 o 108.4404 3.348283 577.9637       35.49759 702.4000       79.75657 547.2249       39.64024 118.7798 6.889463 105.4423 3.847193 13.33755       7.890855 
1 1 1 7   26 11 o 119.1669 3.838643 698.9189       44.71700 0.000000       0.000000 698.9189       44.71700 ?        ?        119.1669 3.838643 ?              ?        
1 1 1 7   26 12 o 29.73396 6.722646 45.62172       19.10507 0.000000       0.000000 45.62172       19.10507 ?        ?        29.73396 6.722646 ?              ?        
1 1 1 7   26 13 o 16.08072 6.569048 4.814854       16.37270 -20.03000      37.58462 10.63384       18.18928 19.78926 8.973682 18.27973 7.098954 1.509529       11.44212 
1 1 1 7   26 14 o 128.3948 5.068408 815.9116       63.57277 856.1000       87.14737 770.2000       92.94320 130.9374 6.823159 123.8354 7.705910 7.101952       10.29255 
1 1 1 7   26 15 o 60.25629 4.707980 180.3543       27.54763 181.0000       44.59587 179.9558       35.03002 59.60621 7.832957 59.90268 6.057461 -0.2964745     9.901921 
1 1 1 7   26 16 o 95.42750 3.150720 448.0761       29.38960 493.5000       61.75101 434.7736       33.41705 99.35009 6.383721 93.91398 3.642133 5.436111       7.349628 
1 1 1 7   26 17 o 33.36445 4.304076 55.83415       13.72914 84.49000       37.20964 51.31826       14.77137 39.93459 9.631568 31.84857 4.894730 8.086018       10.80396 
1 1 1 7   26 18 o 107.2374 3.146341 566.0544       32.99047 691.8000       70.03726 530.1982       37.39946 117.6636 6.101927 103.6700 3.691473 13.99361       7.131654 
1 1 1 7   26 19 o 65.36401 3.114071 210.6458       19.86655 262.4000       40.60649 194.3595       22.77893 72.36462 5.780780 62.67838 3.729733 9.686241       6.879559 
1 1 1 7   26 20 o 69.91984 3.072981 241.0212       20.97995 262.6000       39.31599 232.4302       24.80715 72.39753 5.591332 68.54475 3.711243 3.852783       6.710910 
1 1 1 7   26 21 o 36.98847 3.801418 68.25448       13.56747 84.71000       24.67804 61.12606       16.24244 40.62770 6.418499 34.75270 4.911559 5.875000       8.082112 
1 1 1 7   26 22 o 75.56831 3.127396 281.7513       23.08283 314.5000       37.91348 262.4622       29.09718 79.39382 4.902576 72.71754 4.104614 6.676285       6.393990 
1 1 1 7   26 23 o 63.54739 6.420521 205.1877       39.38970 0.000000       0.000000 205.1877       39.38970 ?        ?        63.54739 6.420521 ?              ?        
1 1 1 7   26 24 o 58.97314 11.57818 191.9000       64.44780 0.000000       0.000000 191.9000       64.44780 ?        ?        58.97314 11.57818 ?              ?        
1 1 1 7   26 25 o 70.97198 10.38831 271.3000       70.03018 0.000000       0.000000 271.3000       70.03018 ?        ?        70.97198 10.38831 ?              ?        
1 1 1 7   26 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   26 27 o 69.52606 6.607655 247.3466       44.42785 0.000000       0.000000 247.3466       44.42785 ?        ?        69.52606 6.607655 ?              ?        
1 1 1 7   26 28 o 22.84912 9.593107 9.195065       36.26570 0.000000       0.000000 9.195065       36.26570 ?        ?        22.84912 9.593107 ?              ?        
1 1 1 7   26 29 o 74.48198 6.232860 283.4134       45.02439 0.000000       0.000000 283.4134       45.02439 ?        ?        74.48198 6.232860 ?              ?        
1 1 1 7   26 30 o 33.12181 10.11914 60.66641       35.82970 0.000000       0.000000 60.66641       35.82970 ?        ?        33.12181 10.11914 ?              ?        
1 1 1 7   26 31 o 40.97410 8.956164 92.60538       34.91523 0.000000       0.000000 92.60538       34.91523 ?        ?        40.97410 8.956164 ?              ?        
1 1 1 7   26 32 o 46.61615 8.137007 117.7791       35.77850 0.000000       0.000000 117.7791       35.77850 ?        ?        46.61615 8.137007 ?              ?        
1 1 1 7   26 33 o 24.91303 9.553848 27.74341       32.64553 0.000000       0.000000 27.74341       32.64553 ?        ?        24.91303 9.553848 ?              ?        
1 1 1 7   26 34 o 78.40762 5.699995 316.6830       43.44731 0.000000       0.000000 316.6830       43.44731 ?        ?        78.40762 5.699995 ?              ?        
1 1 1 7   26 35 o 34.62335 10.42183 70.72000       38.20066 0.000000       0.000000 70.72000       38.20066 ?        ?        34.62335 10.42183 ?              ?        
1 1 1 7   26 36 o 25.36616 9.808562 29.84000       34.61178 0.000000       0.000000 29.84000       34.61178 ?        ?        25.36616 9.808562 ?              ?        
1 1 1 7   26 37 o 43.62231 12.62305 123.0000       56.96236 0.000000       0.000000 123.0000       56.96236 ?        ?        43.62231 12.62305 ?              ?        
1 1 1 7   26 38 f 32.53394 12.33977 62.56000       54.07879 0.000000       0.000000 62.56000       54.07879 ?        ?        32.53394 12.33977 ?              ?        
1 1 1 7   26 39 o 56.40802 6.335200 168.8401       34.37513 0.000000       0.000000 168.8401       34.37513 ?        ?        56.40802 6.335200 ?              ?        
1 1 1 7   26 40 o 21.83296 8.651568 19.63909       27.48363 0.000000       0.000000 19.63909       27.48363 ?        ?        21.83296 8.651568 ?              ?        
1 1 1 7   26 41 o 50.65055 6.705927 138.7392       32.43069 0.000000       0.000000 138.7392       32.43069 ?        ?        50.65055 6.705927 ?              ?        
1 1 1 7   26 42 o 40.84726 7.904208 94.71651       30.46032 0.000000       0.000000 94.71651       30.46032 ?        ?        40.84726 7.904208 ?              ?        
1 1 1 7   26 43 o 23.05528 8.839152 26.19356       27.93913 0.000000       0.000000 26.19356       27.93913 ?        ?        23.05528 8.839152 ?              ?        
1 1 1 7   26 44 o 51.06069 6.855582 142.5804       33.39897 0.000000       0.000000 142.5804       33.39897 ?        ?        51.06069 6.855582 ?              ?        
1 1 1 7   26 45 o 35.28031 9.981499 77.73000       36.00817 0.000000       0.000000 77.73000       36.00817 ?        ?        35.28031 9.981499 ?              ?        
1 1 1 7   26 46 o 20.04986 8.764532 5.092000       32.61678 0.000000       0.000000 5.092000       32.61678 ?        ?        20.04986 8.764532 ?              ?        
1 1 1 7   26 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   26 48 o 20.92690 8.975397 11.08000       32.91712 0.000000       0.000000 11.08000       32.91712 ?        ?        20.92690 8.975397 ?              ?        
1 1 1 7   26 49 o 23.59750 9.424045 26.79000       32.85843 0.000000       0.000000 26.79000       32.85843 ?        ?        23.59750 9.424045 ?              ?        
1 1 1 7   26 50 o 34.33385 9.747667 74.93000       34.28032 0.000000       0.000000 74.93000       34.28032 ?        ?        34.33385 9.747667 ?              ?        
1 1 1 7   26 51 o 21.92567 8.973367 21.24000       30.62132 0.000000       0.000000 21.24000       30.62132 ?        ?        21.92567 8.973367 ?              ?        
1 1 1 7   26 52 o 20.39819 8.678984 13.57000       30.34015 0.000000       0.000000 13.57000       30.34015 ?        ?        20.39819 8.678984 ?              ?        
1 1 1 7   27 0  o 86.20593 3.334741 365.4130       28.08572 406.9000       64.46918 355.6949       31.20225 90.19193 7.366729 84.99599 3.759736 5.195938       8.270689 
1 1 1 7   27 1  o 90.98425 3.347587 407.0015       29.76208 433.3000       66.44490 400.4008       33.28820 93.09142 7.351619 90.18575 3.779285 2.905670       8.266154 
1 1 1 7   27 2  o 54.45054 4.545670 146.9740       24.00653 140.0000       51.26076 148.9333       27.17030 51.80101 10.47029 54.72008 5.132641 -2.919071      11.66066 
1 1 1 7   27 3  o 110.6454 3.764119 602.3502       40.70710 690.2000       79.37431 570.9984       47.41773 117.7317 6.918287 107.5984 4.512258 10.13339       8.259731 
1 1 1 7   27 4  o 107.9166 3.941949 573.3790       41.56953 635.3000       76.98150 547.8912       49.38940 112.8995 7.000514 105.3347 4.802862 7.564743       8.489680 
1 1 1 7   27 5  o 31.76168 6.483860 51.77951       19.47504 2.821000       47.55836 61.64333       21.34692 25.53142 10.86468 34.71793 6.521061 -9.186506      12.67145 
1 1 1 7   27 6  o 145.0144 5.078747 1038.868       71.97854 0.000000       0.000000 1038.868       71.97854 ?        ?        145.0144 5.078747 ?              ?        
1 1 1 7   27 7  o 155.7450 3.721894 1192.565       56.73935 1425.000       126.7957 1134.368       63.44621 168.8324 7.692811 151.7279 4.276291 17.10445       8.801477 
1 1 1 7   27 8  o 99.03893 3.336375 482.4256       32.29733 491.4000       69.86676 479.9866       36.42258 99.06084 7.255802 98.71974 3.776262 0.3410950      8.179659 
1 1 1 7   27 9  o 71.46765 3.592856 251.7524       25.05303 279.8000       57.54117 245.1918       27.82927 74.35691 8.033278 70.45982 4.052189 3.897095       8.997433 
1 1 1 7   27 10 o 79.16675 3.467792 308.6997       26.80694 319.8000       60.00592 305.9320       29.96311 79.57664 7.803999 78.74404 3.899565 0.8326035      8.724048 
1 1 1 7   27 11 o 152.1240 3.670723 1138.629       54.65822 1388.000       122.6352 1076.813       61.05812 166.3789 7.549941 147.7503 4.226250 18.62860       8.652329 
1 1 1 7   27 12 o 78.53855 3.815589 304.4164       29.24483 0.000000       0.000000 304.4164       29.24483 ?        ?        78.53855 3.815589 ?              ?        
1 1 1 7   27 13 o 34.65181 5.909275 61.25452       19.32482 0.000000       0.000000 61.25452       19.32482 ?        ?        34.65181 5.909275 ?              ?        
1 1 1 7   27 14 o 121.6150 3.327902 728.1224       39.57814 897.5000       86.40917 683.1542       44.52306 133.9087 6.612876 117.6744 3.870688 16.23428       7.662399 
1 1 1 7   27 15 o 139.2115 7.051497 974.0000       95.77362 974.0000       95.77362 0.000000       0.000000 139.2115 7.051497 ?        ?        ?              ?        
1 1 1 7   27 16 o 103.4782 3.169635 527.2699       32.06652 669.1000       70.07722 489.7074       36.06367 115.6146 6.215230 99.60822 3.705324 16.00639       7.235918 
1 1 1 7   27 17 o 68.62560 3.178236 232.2736       21.29107 240.8000       44.52676 229.7462       24.24203 68.99431 6.676617 68.16757 3.646432 0.8267365      7.607476 
1 1 1 7   27 18 o 28.77674 4.697919 42.08203       12.77671 65.50000       30.40827 37.06133       14.07988 35.10618 8.852351 26.79751 5.550564 8.308668       10.44858 
1 1 1 7   27 19 o 111.4215 3.192806 612.0569       34.78561 657.4000       67.36475 595.5703       40.62025 114.4214 6.036123 109.7465 3.787014 4.674973       7.125746 
1 1 1 7   27 20 o 61.64919 3.246550 187.8251       19.52190 178.7000       34.39942 192.1600       23.70979 59.43737 5.994506 62.22375 3.912636 -2.786377      7.158410 
1 1 1 7   27 21 o 67.44897 3.186521 224.7382       20.97822 239.9000       35.23013 216.4088       26.11235 69.15720 5.243474 65.99232 4.062152 3.164871       6.632880 
1 1 1 7   27 22 o 45.36160 3.922503 102.5948       17.24542 0.000000       0.000000 102.5948       17.24542 ?        ?        45.36160 3.922503 ?              ?        
1 1 1 7   27 23 o 90.08094 8.855945 424.8000       77.07773 0.000000       0.000000 424.8000       77.07773 ?        ?        90.08094 8.855945 ?              ?        
1 1 1 7   27 24 o 23.07959 9.538314 11.84781       35.04110 0.000000       0.000000 11.84781       35.04110 ?        ?        23.07959 9.538314 ?              ?        
1 1 1 7   27 25 o 61.47597 7.211801 195.4207       42.57241 0.000000       0.000000 195.4207       42.57241 ?        ?        61.47597 7.211801 ?              ?        
1 1 1 7   27 26 o 40.08810 9.890722 88.69964       38.56797 0.000000       0.000000 88.69964       38.56797 ?        ?        40.08810 9.890722 ?              ?        
1 1 1 7   27 27 o 74.32169 6.382689 282.7028       45.98363 0.000000       0.000000 282.7028       45.98363 ?        ?        74.32169 6.382689 ?              ?        
1 1 1 7   27 28 o 51.94645 8.277208 143.9753       40.67566 0.000000       0.000000 143.9753       40.67566 ?        ?        51.94645 8.277208 ?              ?        
1 1 1 7   27 29 o 24.75073 9.787939 23.04188       35.11173 0.000000       0.000000 23.04188       35.11173 ?        ?        24.75073 9.787939 ?              ?        
1 1 1 7   27 30 o 47.22788 8.553717 121.6153       38.08661 0.000000       0.000000 121.6153       38.08661 ?        ?        47.22788 8.553717 ?              ?        
1 1 1 7   27 31 o 74.81976 6.089753 289.1263       44.21338 0.000000       0.000000 289.1263       44.21338 ?        ?        74.81976 6.089753 ?              ?        
1 1 1 7   27 32 o 30.79039 9.888640 53.60903       33.78638 0.000000       0.000000 53.60903       33.78638 ?        ?        30.79039 9.888640 ?              ?        
1 1 1 7   27 33 o 22.56428 9.096215 18.11100       30.91433 0.000000       0.000000 18.11100       30.91433 ?        ?        22.56428 9.096215 ?              ?        
1 1 1 7   27 34 o 70.75452 7.366438 268.4000       50.27122 0.000000       0.000000 268.4000       50.27122 ?        ?        70.75452 7.366438 ?              ?        
1 1 1 7   27 35 o 49.49688 7.290842 132.4790       34.26642 0.000000       0.000000 132.4790       34.26642 ?        ?        49.49688 7.290842 ?              ?        
1 1 1 7   27 36 o 31.67922 12.22129 56.74000       53.64283 0.000000       0.000000 56.74000       53.64283 ?        ?        31.67922 12.22129 ?              ?        
1 1 1 7   27 37 o 34.74456 9.138652 70.37663       31.48960 0.000000       0.000000 70.37663       31.48960 ?        ?        34.74456 9.138652 ?              ?        
1 1 1 7   27 38 o 51.44799 6.872155 142.8193       33.74257 0.000000       0.000000 142.8193       33.74257 ?        ?        51.44799 6.872155 ?              ?        
1 1 1 7   27 39 o 22.18044 8.787286 20.63250       28.34671 0.000000       0.000000 20.63250       28.34671 ?        ?        22.18044 8.787286 ?              ?        
1 1 1 7   27 40 o 41.61332 7.895468 97.78356       30.98383 0.000000       0.000000 97.78356       30.98383 ?        ?        41.61332 7.895468 ?              ?        
1 1 1 7   27 41 o 34.17436 8.856210 69.28156       29.86405 0.000000       0.000000 69.28156       29.86405 ?        ?        34.17436 8.856210 ?              ?        
1 1 1 7   27 42 o 22.08261 8.820642 21.10272       28.79065 0.000000       0.000000 21.10272       28.79065 ?        ?        22.08261 8.820642 ?              ?        
1 1 1 7   27 43 o 35.18505 8.825914 73.57190       30.34058 0.000000       0.000000 73.57190       30.34058 ?        ?        35.18505 8.825914 ?              ?        
1 1 1 7   27 44 o 26.33974 9.791758 39.26000       33.68702 0.000000       0.000000 39.26000       33.68702 ?        ?        26.33974 9.791758 ?              ?        
1 1 1 7   27 45 o 41.42864 9.613773 105.1000       38.23114 0.000000       0.000000 105.1000       38.23114 ?        ?        41.42864 9.613773 ?              ?        
1 1 1 7   27 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   27 47 o 33.90141 10.18802 73.58000       36.52752 0.000000       0.000000 73.58000       36.52752 ?        ?        33.90141 10.18802 ?              ?        
1 1 1 7   27 48 o 19.98993 8.681090 7.110000       31.55507 0.000000       0.000000 7.110000       31.55507 ?        ?        19.98993 8.681090 ?              ?        
1 1 1 7   27 49 o 20.19961 8.734643 9.098000       31.66928 0.000000       0.000000 9.098000       31.66928 ?        ?        20.19961 8.734643 ?              ?        
1 1 1 7   27 50 o 23.88278 9.348670 30.75000       31.74570 0.000000       0.000000 30.75000       31.74570 ?        ?        23.88278 9.348670 ?              ?        
1 1 1 7   27 51 o 19.42495 8.464662 7.528000       30.21724 0.000000       0.000000 7.528000       30.21724 ?        ?        19.42495 8.464662 ?              ?        
1 1 1 7   28 0  o 48.13658 4.340542 115.0929       20.23205 121.3000       49.17612 113.8282       22.19775 47.89939 10.75288 47.78902 4.810815 0.1103745      11.78000 
1 1 1 7   28 1  o 70.27477 3.866000 243.7506       26.49056 335.3000       57.39228 218.9660       29.86185 81.68128 7.253706 66.47137 4.618331 15.20991       8.599141 
1 1 1 7   28 2  o 49.88524 4.701893 123.8518       22.68810 171.9000       50.12171 111.4696       25.44412 57.72561 9.177429 47.12590 5.627027 10.59971       10.76516 
1 1 1 7   28 3  o 90.73489 3.325371 405.1434       29.48393 439.2000       64.96933 396.3105       33.08723 93.57661 7.147159 89.66738 3.778280 3.909225       8.084385 
1 1 1 7   28 4  o 155.2752 3.722682 1186.301       56.58016 1269.000       119.0446 1162.168       64.30794 159.0593 7.668772 153.4970 4.284335 5.562286       8.784394 
1 1 1 7   28 5  f 125.2839 3.988582 773.7773       48.85017 958.6000       95.62603 708.5140       56.82418 138.4187 7.081429 119.6666 4.861374 18.75208       8.589505 
1 1 1 7   28 6  o 50.93794 4.237574 128.7734       20.93713 70.13000       49.60390 141.4859       23.09526 37.07099 11.98872 53.37091 4.461700 -16.29992      12.79204 
1 1 1 7   28 7  o 168.0449 3.856724 1390.640       63.43810 1737.000       145.8276 1309.794       70.45388 185.7432 8.039897 162.8703 4.423430 22.87288       9.176420 
1 1 1 7   28 8  o 27.88478 6.889114 40.33931       18.69235 5.145000       46.77169 47.02907       20.39163 25.46152 10.80234 30.09335 7.047370 -4.631823      12.89791 
1 1 1 7   28 9  o 48.45664 4.452886 116.8829       20.88438 137.8000       50.44223 112.5556       22.94318 51.00038 10.45590 47.43494 5.017348 3.565445       11.59739 
1 1 1 7   28 10 o 133.2119 3.503796 874.0491       45.64684 1045.000       101.6263 830.8435       51.09056 144.2122 7.222413 129.7421 4.027912 14.47011       8.269663 
1 1 1 7   28 11 o 69.91233 3.584177 241.3297       24.44542 220.9000       55.10740 246.3347       27.27593 65.43153 8.829449 70.56681 3.964816 -5.135277      9.678788 
1 1 1 7   28 12 f 68.05356 3.504702 228.6635       23.26713 335.2000       53.99422 204.3694       25.78387 81.53684 6.827946 64.21561 4.123851 17.32123       7.976654 
1 1 1 7   28 13 o 46.74997 4.703987 109.2675       21.23322 0.000000       0.000000 109.2675       21.23322 ?        ?        46.74997 4.703987 ?              ?        
1 1 1 7   28 14 o 70.81709 3.347355 247.5314       23.13743 305.5000       50.04800 231.7743       26.09324 77.78806 6.636379 68.41380 3.912849 9.374252       7.704020 
1 1 1 7   28 15 o 19.39982 7.763257 10.18984       22.34331 14.24000       34.45093 7.249459       29.35398 23.59342 9.569476 20.94905 8.700399 2.644369       12.93336 
1 1 1 7   28 16 o 43.78799 5.791095 97.38260       24.21323 125.2000       36.82285 76.19247       32.13852 49.05558 7.939855 37.82035 8.840860 11.23523       11.88285 
1 1 1 7   28 17 o 95.49712 3.942034 451.6765       36.76902 511.7000       58.87716 413.3000       47.07811 100.8924 5.988810 90.90086 5.314264 9.991539       8.006701 
1 1 1 7   28 18 o 51.36301 3.435815 130.7354       17.17440 150.3000       35.46458 124.7416       19.62970 54.16119 6.842002 50.04631 4.041497 4.114880       7.946490 
1 1 1 7   28 19 o 65.65160 3.263511 213.0811       20.90610 210.1000       37.72075 214.4028       25.11662 64.41079 6.053927 65.70966 3.922900 -1.298874      7.213819 
1 1 1 7   28 20 o 17.68521 5.649106 15.41251       11.03732 50.34000       24.78746 6.774694       12.32680 30.75118 8.117393 14.84799 5.821527 15.90319       9.989106 
1 1 1 7   28 21 o 22.53116 5.168485 26.35242       11.15584 50.93000       20.39751 15.86311       13.32543 31.10870 6.881312 18.32842 6.223935 12.78028       9.278461 
1 1 1 7   28 22 o 82.03543 9.137223 355.7000       72.12676 0.000000       0.000000 355.7000       72.12676 ?        ?        82.03543 9.137223 ?              ?        
1 1 1 7   28 23 o 23.46749 9.438309 16.76869       33.19954 0.000000       0.000000 16.76869       33.19954 ?        ?        23.46749 9.438309 ?              ?        
1 1 1 7   28 24 o 51.42805 8.014379 139.6306       39.02930 0.000000       0.000000 139.6306       39.02930 ?        ?        51.42805 8.014379 ?              ?        
1 1 1 7   28 25 o 48.50084 8.571816 126.1022       39.20580 0.000000       0.000000 126.1022       39.20580 ?        ?        48.50084 8.571816 ?              ?        
1 1 1 7   28 26 o 55.86458 7.774198 164.4943       41.36053 0.000000       0.000000 164.4943       41.36053 ?        ?        55.86458 7.774198 ?              ?        
1 1 1 7   28 27 o 93.18291 5.761600 442.0105       52.29454 0.000000       0.000000 442.0105       52.29454 ?        ?        93.18291 5.761600 ?              ?        
1 1 1 7   28 28 o 56.21039 7.325837 166.7119       39.34884 0.000000       0.000000 166.7119       39.34884 ?        ?        56.21039 7.325837 ?              ?        
1 1 1 7   28 29 o 23.61180 9.536839 19.06733       34.05409 0.000000       0.000000 19.06733       34.05409 ?        ?        23.61180 9.536839 ?              ?        
1 1 1 7   28 30 o 23.58839 9.431517 20.81552       32.94979 0.000000       0.000000 20.81552       32.94979 ?        ?        23.58839 9.431517 ?              ?        
1 1 1 7   28 31 o 76.52786 5.901460 303.1599       43.86517 0.000000       0.000000 303.1599       43.86517 ?        ?        76.52786 5.901460 ?              ?        
1 1 1 7   28 32 o 33.05245 9.512992 63.05740       32.43288 0.000000       0.000000 63.05740       32.43288 ?        ?        33.05245 9.512992 ?              ?        
1 1 1 7   28 33 o 61.67214 8.050991 208.3000       47.44172 0.000000       0.000000 208.3000       47.44172 ?        ?        61.67214 8.050991 ?              ?        
1 1 1 7   28 34 o 35.95249 8.762253 74.01688       30.54988 0.000000       0.000000 74.01688       30.54988 ?        ?        35.95249 8.762253 ?              ?        
1 1 1 7   28 35 o 19.99991 9.547058 -46.49000      52.21847 0.000000       0.000000 -46.49000      52.21847 ?        ?        19.99991 9.547058 ?              ?        
1 1 1 7   28 36 o 57.66642 6.217790 176.0327       34.54250 0.000000       0.000000 176.0327       34.54250 ?        ?        57.66642 6.217790 ?              ?        
1 1 1 7   28 37 o 42.82076 7.844344 102.5087       31.66763 0.000000       0.000000 102.5087       31.66763 ?        ?        42.82076 7.844344 ?              ?        
1 1 1 7   28 38 o 22.51315 8.874670 22.03838       28.78188 0.000000       0.000000 22.03838       28.78188 ?        ?        22.51315 8.874670 ?              ?        
1 1 1 7   28 39 o 28.51381 9.262790 47.87705       29.59166 0.000000       0.000000 47.87705       29.59166 ?        ?        28.51381 9.262790 ?              ?        
1 1 1 7   28 40 o 38.17593 8.474941 84.95470       30.84286 0.000000       0.000000 84.95470       30.84286 ?        ?        38.17593 8.474941 ?              ?        
1 1 1 7   28 41 f 31.77019 9.091928 60.88972       29.70632 0.000000       0.000000 60.88972       29.70632 ?        ?        31.77019 9.091928 ?              ?        
1 1 1 7   28 42 o 16.28594 7.478674 -11.83356      27.18707 0.000000       0.000000 -11.83356      27.18707 ?        ?        16.28594 7.478674 ?              ?        
1 1 1 7   28 43 o 38.79110 9.720505 92.89000       36.83011 0.000000       0.000000 92.89000       36.83011 ?        ?        38.79110 9.720505 ?              ?        
1 1 1 7   28 44 o 32.35180 10.15350 66.27000       35.79564 0.000000       0.000000 66.27000       35.79564 ?        ?        32.35180 10.15350 ?              ?        
1 1 1 7   28 45 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   28 46 o 24.25574 9.678199 29.39000       34.62338 0.000000       0.000000 29.39000       34.62338 ?        ?        24.25574 9.678199 ?              ?        
1 1 1 7   28 47 o 18.13478 8.206778 -5.445000      31.24404 0.000000       0.000000 -5.445000      31.24404 ?        ?        18.13478 8.206778 ?              ?        
1 1 1 7   28 48 o 29.37551 9.996456 54.97000       34.37721 0.000000       0.000000 54.97000       34.37721 ?        ?        29.37551 9.996456 ?              ?        
1 1 1 7   28 49 o 14.81484 7.098330 -29.66000      29.45137 0.000000       0.000000 -29.66000      29.45137 ?        ?        14.81484 7.098330 ?              ?        
1 1 1 7   28 50 o 32.38228 9.856853 68.95000       34.03772 0.000000       0.000000 68.95000       34.03772 ?        ?        32.38228 9.856853 ?              ?        
1 1 1 7   29 0  o 80.18843 3.765748 317.4490       29.47504 404.1000       60.52665 290.5122       33.74688 89.61909 6.954238 76.55372 4.523781 13.06537       8.296144 
1 1 1 7   29 1  o 132.6221 3.951315 867.8021       51.23648 746.2000       88.19053 929.7591       62.95015 121.7152 7.437885 137.0521 4.699458 -15.33691      8.798127 
1 1 1 7   29 2  o 95.77548 3.293023 451.7389       30.82541 483.4000       68.14957 443.5950       34.56322 97.97476 7.155626 94.82367 3.731124 3.151093       8.069962 
1 1 1 7   29 3  o 69.41431 5.957316 241.4409       40.08570 259.0000       57.03441 224.3000       56.35126 71.14470 8.348745 65.92400 8.964876 5.220695       12.25033 
1 1 1 7   29 4  o 54.28928 5.047664 147.2229       26.51593 102.7000       49.77999 164.8593       31.33057 43.64774 11.49481 57.33383 5.656392 -13.68610      12.81115 
1 1 1 7   29 5  o 57.81536 3.962720 165.6075       22.28994 167.6000       51.49859 165.1482       24.72601 56.55629 9.648589 57.65039 4.415329 -1.094105      10.61086 
1 1 1 7   29 6  o 76.92799 4.161449 292.9753       31.21874 282.6000       58.35370 297.1356       36.95148 74.36124 8.150456 77.30257 4.908863 -2.941330      9.514562 
1 1 1 7   29 7  o 49.92204 4.358990 124.0651       21.08681 149.9000       50.82569 118.6935       23.17553 53.19813 10.13057 48.70545 4.929001 4.492680       11.26604 
1 1 1 7   29 8  o 93.71990 3.956119 434.1555       36.21008 383.1000       65.64534 456.4835       43.41175 86.77868 7.811842 95.92895 4.637026 -9.150269      9.084431 
1 1 1 7   29 9  o 154.7691 3.717695 1181.119       56.32020 1416.000       126.2810 1122.799       62.92496 167.2375 7.735281 150.6616 4.271226 16.57590       8.836172 
1 1 1 7   29 10 o 63.37127 3.789429 198.8360       23.39830 194.3000       53.37375 199.9151       26.03320 60.96648 9.232636 63.45737 4.215102 -2.490887      10.14932 
1 1 1 7   29 11 o 114.2721 3.362479 643.9020       37.56932 899.3000       89.32606 589.0148       41.40999 133.5484 6.856294 109.1518 3.882040 24.39657       7.879023 
1 1 1 7   29 12 o 79.36320 3.373037 310.9866       26.14298 371.2000       56.51165 294.5916       29.48808 85.62144 6.798720 77.11980 3.919230 8.501648       7.847481 
1 1 1 7   29 13 o 72.47942 3.846379 260.2887       27.19038 0.000000       0.000000 260.2887       27.19038 ?        ?        72.47942 3.846379 ?              ?        
1 1 1 7   29 14 o 79.82435 3.716522 315.4135       28.95907 0.000000       0.000000 315.4135       28.95907 ?        ?        79.82435 3.716522 ?              ?        
1 1 1 7   29 15 o 92.67138 3.173454 423.7430       28.74371 462.4000       58.52569 411.4545       32.99754 95.70437 6.282269 91.18186 3.704863 4.522507       7.293348 
1 1 1 7   29 16 o 67.36859 4.419461 226.1942       28.98199 225.0000       43.80536 227.1239       38.65040 66.37067 6.840746 67.02268 5.953379 -0.6520157     9.068546 
1 1 1 7   29 17 o 78.07180 3.240139 301.1852       24.70695 368.4000       48.95854 278.2184       28.61840 85.45797 5.888886 74.86371 3.919068 10.59426       7.073760 
1 1 1 7   29 18 o 44.64340 3.863518 99.40189       16.71687 127.1000       33.94638 90.53454       19.20726 49.49865 7.218806 42.39371 4.707984 7.104939       8.618368 
1 1 1 7   29 19 o 54.21558 3.709927 146.1358       19.56908 192.2000       33.89281 123.1000       23.96778 61.61430 5.683812 49.40368 5.026266 12.21062       7.587429 
1 1 1 7   29 20 o 27.58204 4.863155 39.03721       12.64994 65.24000       24.79983 29.82205       14.70708 35.08767 7.451273 23.85629 6.231252 11.23138       9.713391 
1 1 1 7   29 21 o 73.17993 3.265392 265.0628       23.33127 274.2000       36.69838 258.8643       30.22619 73.84389 5.108713 72.01993 4.307383 1.823959       6.682252 
1 1 1 7   29 22 o 118.6030 5.449302 708.7573       63.09291 0.000000       0.000000 708.7573       63.09291 ?        ?        118.6030 5.449302 ?              ?        
1 1 1 7   29 23 o 27.68048 9.922995 37.27961       34.13566 0.000000       0.000000 37.27961       34.13566 ?        ?        27.68048 9.922995 ?              ?        
1 1 1 7   29 24 o 49.16113 8.179112 128.9482       37.97581 0.000000       0.000000 128.9482       37.97581 ?        ?        49.16113 8.179112 ?              ?        
1 1 1 7   29 25 o 89.74898 5.771779 410.1641       50.43557 0.000000       0.000000 410.1641       50.43557 ?        ?        89.74898 5.771779 ?              ?        
1 1 1 7   29 26 o 25.80610 9.883594 29.11377       34.90764 0.000000       0.000000 29.11377       34.90764 ?        ?        25.80610 9.883594 ?              ?        
1 1 1 7   29 27 o 64.57405 6.610013 217.3941       41.19091 0.000000       0.000000 217.3941       41.19091 ?        ?        64.57405 6.610013 ?              ?        
1 1 1 7   29 28 o 57.08794 7.230426 173.1672       39.49822 0.000000       0.000000 173.1672       39.49822 ?        ?        57.08794 7.230426 ?              ?        
1 1 1 7   29 29 o 73.23451 6.098187 278.7009       43.31789 0.000000       0.000000 278.7009       43.31789 ?        ?        73.23451 6.098187 ?              ?        
1 1 1 7   29 30 o 90.07088 5.515217 417.2235       48.39117 0.000000       0.000000 417.2235       48.39117 ?        ?        90.07088 5.515217 ?              ?        
1 1 1 7   29 31 o 59.64855 6.652023 188.4701       38.17806 0.000000       0.000000 188.4701       38.17806 ?        ?        59.64855 6.652023 ?              ?        
1 1 1 7   29 32 o 23.12589 9.533072 17.76000       34.88280 0.000000       0.000000 17.76000       34.88280 ?        ?        23.12589 9.533072 ?              ?        
1 1 1 7   29 33 o 41.03738 8.178943 94.34805       31.69987 0.000000       0.000000 94.34805       31.69987 ?        ?        41.03738 8.178943 ?              ?        
1 1 1 7   29 34 o 69.20112 10.30419 282.0000       67.67094 0.000000       0.000000 282.0000       67.67094 ?        ?        69.20112 10.30419 ?              ?        
1 1 1 7   29 35 o 60.26860 6.167960 192.1738       35.87374 0.000000       0.000000 192.1738       35.87374 ?        ?        60.26860 6.167960 ?              ?        
1 1 1 7   29 36 o 25.16603 9.104092 33.95068       28.81105 0.000000       0.000000 33.95068       28.81105 ?        ?        25.16603 9.104092 ?              ?        
1 1 1 7   29 37 o 28.47776 9.148493 47.39160       28.91652 0.000000       0.000000 47.39160       28.91652 ?        ?        28.47776 9.148493 ?              ?        
1 1 1 7   29 38 o 22.90956 8.894275 24.94364       28.54613 0.000000       0.000000 24.94364       28.54613 ?        ?        22.90956 8.894275 ?              ?        
1 1 1 7   29 39 o 18.39657 8.094271 0.9603667      28.22828 0.000000       0.000000 0.9603667      28.22828 ?        ?        18.39657 8.094271 ?              ?        
1 1 1 7   29 40 o 41.76868 8.131845 100.5277       32.05019 0.000000       0.000000 100.5277       32.05019 ?        ?        41.76868 8.131845 ?              ?        
1 1 1 7   29 41 o 42.56675 7.913027 103.5865       31.75678 0.000000       0.000000 103.5865       31.75678 ?        ?        42.56675 7.913027 ?              ?        
1 1 1 7   29 42 o 28.99119 10.06768 51.58000       34.92280 0.000000       0.000000 51.58000       34.92280 ?        ?        28.99119 10.06768 ?              ?        
1 1 1 7   29 43 o 29.50654 10.16443 54.20000       35.56791 0.000000       0.000000 54.20000       35.56791 ?        ?        29.50654 10.16443 ?              ?        
1 1 1 7   29 44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   29 45 o 27.22849 10.08264 44.41000       35.65393 0.000000       0.000000 44.41000       35.65393 ?        ?        27.22849 10.08264 ?              ?        
1 1 1 7   29 46 o 21.67341 9.063762 17.12000       32.18008 0.000000       0.000000 17.12000       32.18008 ?        ?        21.67341 9.063762 ?              ?        
1 1 1 7   29 47 o 19.09039 8.450813 2.608000       31.21762 0.000000       0.000000 2.608000       31.21762 ?        ?        19.09039 8.450813 ?              ?        
1 1 1 7   29 48 o 45.34697 8.929274 125.7000       38.22305 0.000000       0.000000 125.7000       38.22305 ?        ?        45.34697 8.929274 ?              ?        
1 1 1 7   29 49 o 26.49335 9.657984 43.86000       32.50766 0.000000       0.000000 43.86000       32.50766 ?        ?        26.49335 9.657984 ?              ?        
1 1 1 7   30 0  o 30.58059 7.194162 48.91888       21.17197 68.34000       45.89932 43.66981       23.86219 36.08993 11.51909 28.91027 8.106751 7.179657       14.08577 
1 1 1 7   30 1  o 88.95767 4.678783 393.1618       40.59690 386.6000       64.35072 397.5000       52.32309 87.14951 7.620243 89.00975 6.041306 -1.860245      9.724478 
1 1 1 7   30 2  o 86.76395 4.091903 372.7728       34.65337 321.6000       61.64694 396.4125       41.89990 79.23580 8.060568 89.28230 4.812262 -10.04650      9.387792 
1 1 1 7   30 3  o 77.43403 4.248329 297.3895       32.07666 275.7000       58.60391 306.6668       38.32767 73.18293 8.329124 78.43324 5.018694 -5.250305      9.724279 
1 1 1 7   30 4  o 60.04877 4.716940 179.8392       27.50254 246.5000       55.50290 158.1449       31.66309 69.11769 8.374504 55.99395 5.863912 13.12374       10.22339 
1 1 1 7   30 5  o 50.09541 4.454535 125.2240       21.61517 137.4000       51.04971 122.5642       23.85948 50.47043 10.66787 49.43338 4.999649 1.037048       11.78134 
1 1 1 7   30 6  o 72.86670 3.615796 262.5721       25.70873 259.5000       57.35867 263.3444       28.75927 70.85242 8.436100 72.87914 4.047413 -2.026718      9.356780 
1 1 1 7   30 7  o 101.5721 3.375605 509.1131       33.51418 469.2000       70.64941 520.7027       38.07029 95.91460 7.586946 102.6115 3.796936 -6.696938      8.484013 
1 1 1 7   30 8  o 73.73019 4.302024 270.1456       30.91247 313.1000       57.67035 252.8285       36.61724 78.18251 7.633037 71.03818 5.304374 7.144333       9.295141 
1 1 1 7   30 9  o 53.62041 4.118430 143.1179       21.45016 209.9000       51.18732 128.8927       23.62451 63.51832 8.441795 50.70890 4.817414 12.80942       9.719640 
1 1 1 7   30 10 o 53.73355 4.193254 143.8416       21.88027 88.95000       49.82421 156.9569       24.35433 40.21097 11.85380 56.07740 4.473999 -15.86643      12.67001 
1 1 1 7   30 11 f 56.03711 4.091170 156.2789       22.28573 113.7000       50.02980 166.8190       24.89171 45.37480 11.30593 57.82418 4.431607 -12.44938      12.14345 
1 1 1 7   30 12 o 43.20131 4.639845 93.77360       19.31323 103.9000       41.10217 90.90426       21.87901 43.80537 9.828197 42.33350 5.403014 1.471870       11.21544 
1 1 1 7   30 13 o 84.96305 3.292769 356.6635       27.33220 411.7000       55.90771 339.3783       31.33167 90.15965 6.376229 82.72308 3.880276 7.436577       7.464103 
1 1 1 7   30 14 o 77.47767 4.636815 299.6863       35.00346 0.000000       0.000000 299.6863       35.00346 ?        ?        77.47767 4.636815 ?              ?        
1 1 1 7   30 15 o 35.76183 4.991222 64.98717       16.99630 76.58000       35.31906 61.49353       19.38891 37.50313 9.586071 34.50941 5.955099 2.993721       11.28521 
1 1 1 7   30 16 o 50.68095 5.885328 130.8648       28.65359 120.8000       37.60347 144.8000       44.24683 47.74540 8.350092 52.07660 9.006046 -4.331200      12.28141 
1 1 1 7   30 17 o 77.28523 3.466364 295.9149       26.15593 314.8000       48.91760 288.3542       30.95208 78.59172 6.414649 76.08279 4.172177 2.508926       7.652110 
1 1 1 7   30 18 o 98.46741 3.171709 479.2000       30.52989 534.4000       59.17220 459.1747       35.64000 102.7786 5.906658 96.18394 3.792986 6.594635       7.019640 
1 1 1 7   30 19 o 75.33549 3.483483 281.4064       25.61783 356.7000       45.12659 245.6033       31.11815 84.05108 5.515558 70.03976 4.563886 14.01132       7.158941 
1 1 1 7   30 20 o 90.96930 3.304369 409.7682       29.37430 443.5000       49.84078 391.8157       36.36024 93.72107 5.456621 88.63365 4.203015 5.087418       6.887673 
1 1 1 7   30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   30 22 o 88.49824 5.801549 398.1971       49.97852 0.000000       0.000000 398.1971       49.97852 ?        ?        88.49824 5.801549 ?              ?        
1 1 1 7   30 23 o 67.27307 6.528734 233.9088       42.45097 0.000000       0.000000 233.9088       42.45097 ?        ?        67.27307 6.528734 ?              ?        
1 1 1 7   30 24 o 29.43609 10.18068 45.88873       35.69503 0.000000       0.000000 45.88873       35.69503 ?        ?        29.43609 10.18068 ?              ?        
1 1 1 7   30 25 o 55.33324 7.470376 162.8781       39.42820 0.000000       0.000000 162.8781       39.42820 ?        ?        55.33324 7.470376 ?              ?        
1 1 1 7   30 26 o 48.66417 8.122143 128.9478       37.32617 0.000000       0.000000 128.9478       37.32617 ?        ?        48.66417 8.122143 ?              ?        
1 1 1 7   30 27 o 43.70088 8.693615 106.7082       35.87854 0.000000       0.000000 106.7082       35.87854 ?        ?        43.70088 8.693615 ?              ?        
1 1 1 7   30 28 o 50.92843 7.507051 140.1203       36.30171 0.000000       0.000000 140.1203       36.30171 ?        ?        50.92843 7.507051 ?              ?        
1 1 1 7   30 29 o 72.58076 5.995613 274.4486       42.21566 0.000000       0.000000 274.4486       42.21566 ?        ?        72.58076 5.995613 ?              ?        
1 1 1 7   30 30 o 34.52524 10.81099 71.93000       40.60487 0.000000       0.000000 71.93000       40.60487 ?        ?        34.52524 10.81099 ?              ?        
1 1 1 7   30 31 o 24.52241 9.409324 28.48641       31.67738 0.000000       0.000000 28.48641       31.67738 ?        ?        24.52241 9.409324 ?              ?        
1 1 1 7   30 32 o 21.11582 8.759918 13.02946       29.71041 0.000000       0.000000 13.02946       29.71041 ?        ?        21.11582 8.759918 ?              ?        
1 1 1 7   30 33 o 44.67533 13.29226 136.5000       62.41575 0.000000       0.000000 136.5000       62.41575 ?        ?        44.67533 13.29226 ?              ?        
1 1 1 7   30 34 o 18.95919 8.214625 3.463306       28.12299 0.000000       0.000000 3.463306       28.12299 ?        ?        18.95919 8.214625 ?              ?        
1 1 1 7   30 35 o 58.08745 6.271991 179.8416       35.09628 0.000000       0.000000 179.8416       35.09628 ?        ?        58.08745 6.271991 ?              ?        
1 1 1 7   30 36 o 22.13097 8.775013 21.19425       28.28971 0.000000       0.000000 21.19425       28.28971 ?        ?        22.13097 8.775013 ?              ?        
1 1 1 7   30 37 o 29.00797 9.252380 50.39696       29.61661 0.000000       0.000000 50.39696       29.61661 ?        ?        29.00797 9.252380 ?              ?        
1 1 1 7   30 38 o 30.87594 9.202931 57.80406       29.89820 0.000000       0.000000 57.80406       29.89820 ?        ?        30.87594 9.202931 ?              ?        
1 1 1 7   30 39 o 40.52268 8.340000 95.60635       31.97686 0.000000       0.000000 95.60635       31.97686 ?        ?        40.52268 8.340000 ?              ?        
1 1 1 7   30 40 o 31.90111 9.161279 62.03426       30.11070 0.000000       0.000000 62.03426       30.11070 ?        ?        31.90111 9.161279 ?              ?        
1 1 1 7   30 41 o 25.64863 9.874073 36.05000       34.96402 0.000000       0.000000 36.05000       34.96402 ?        ?        25.64863 9.874073 ?              ?        
1 1 1 7   30 42 o 19.15993 8.554628 -0.7351000     32.69167 0.000000       0.000000 -0.7351000     32.69167 ?        ?        19.15993 8.554628 ?              ?        
1 1 1 7   30 43 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   30 44 o 35.23612 10.15153 80.04000       36.91576 0.000000       0.000000 80.04000       36.91576 ?        ?        35.23612 10.15153 ?              ?        
1 1 1 7   30 45 o 39.17157 9.669546 96.17000       36.84830 0.000000       0.000000 96.17000       36.84830 ?        ?        39.17157 9.669546 ?              ?        
1 1 1 7   30 46 o 64.34189 7.384849 234.7000       45.66743 0.000000       0.000000 234.7000       45.66743 ?        ?        64.34189 7.384849 ?              ?        
1 1 1 7   30 47 o 20.59813 8.773790 13.75000       31.06673 0.000000       0.000000 13.75000       31.06673 ?        ?        20.59813 8.773790 ?              ?        
1 1 1 7   30 48 o 27.02058 9.649315 46.40000       32.24635 0.000000       0.000000 46.40000       32.24635 ?        ?        27.02058 9.649315 ?              ?        
1 1 1 7   31 0  o 48.29947 4.380516 116.5946       20.48471 126.1000       49.00020 114.5815       22.54977 48.07805 10.68899 47.75495 4.893236 0.3231049      11.75578 
1 1 1 7   31 1  o 72.71738 5.627610 265.9351       39.74457 271.7000       56.53013 260.3000       55.88996 72.48927 8.105696 70.88966 8.205981 1.599617       11.53432 
1 1 1 7   31 2  o 62.17087 4.438600 192.6912       26.83323 235.3000       53.33698 178.2527       31.04854 67.32764 8.266657 59.52452 5.387182 7.803116       9.867084 
1 1 1 7   31 3  o 87.75148 3.368083 380.3980       28.87596 343.8000       62.06789 390.5074       32.62124 81.74274 7.853848 88.81031 3.761103 -7.067566      8.707974 
1 1 1 7   31 4  o 182.3381 4.086205 1646.305       72.92958 1804.000       155.3671 1601.739       82.59440 187.1176 8.505015 179.4545 4.706143 7.663132       9.720241 
1 1 1 7   31 5  o 83.93131 3.434104 348.2313       28.15305 350.0000       63.27743 347.7947       31.43579 82.40256 7.943493 83.77349 3.843886 -1.370934      8.824656 
1 1 1 7   31 6  o 63.95902 3.793674 202.9813       23.64355 224.5000       54.46936 197.9855       26.24498 65.47456 8.715368 63.04721 4.278132 2.427345       9.708762 
1 1 1 7   31 7  o 57.75674 4.041581 166.0036       22.70444 161.1000       51.12731 167.2082       25.34009 54.74910 9.904997 57.85056 4.510641 -3.101463      10.88370 
1 1 1 7   31 8  o 112.0915 3.405256 620.8358       37.31854 703.0000       81.18082 598.8206       42.02179 117.4609 7.093861 109.9168 3.911985 7.544121       8.101018 
1 1 1 7   31 9  o 57.29413 4.049969 163.4518       22.56629 229.2000       53.24148 149.0537       24.91494 66.22656 8.402027 54.53154 4.713974 11.69502       9.634086 
1 1 1 7   31 10 f 41.48112 5.097386 87.14058       20.26220 108.0000       48.64182 82.76108       22.28799 44.01446 11.24932 40.20287 5.834016 3.811596       12.67214 
1 1 1 7   31 11 o 74.94964 3.527910 278.2898       25.80909 279.4000       56.41803 277.9960       29.02412 73.32152 7.990163 74.78743 3.979149 -1.465912      8.926160 
1 1 1 7   31 12 o 66.68738 3.586358 220.5847       23.32399 277.2000       48.02981 203.1135       26.68122 73.61359 6.740448 63.79729 4.297725 9.816292       7.994003 
1 1 1 7   31 13 o 26.47360 6.749700 36.96142       17.54131 22.49000       35.25978 41.72097       20.22121 24.99741 9.832280 28.05074 7.296618 -3.053333      12.24395 
1 1 1 7   31 14 o 58.28803 4.257022 169.7684       24.12052 0.000000       0.000000 169.7684       24.12052 ?        ?        58.28803 4.257022 ?              ?        
1 1 1 7   31 15 o 19.12457 7.217552 14.34929       18.44691 0.000000       0.000000 14.34929       18.44691 ?        ?        19.12457 7.217552 ?              ?        
1 1 1 7   31 16 o 65.43276 4.652571 214.7076       29.60413 259.1000       45.65056 182.4893       38.89039 71.06620 6.639461 59.47781 6.802269 11.58839       9.505435 
1 1 1 7   31 17 o 73.83576 4.276993 272.3546       30.77859 278.9000       44.96424 266.5836       42.22023 73.86949 6.278068 72.33406 6.017543 1.535431       8.696261 
1 1 1 7   31 18 o 24.08321 6.043068 30.52938       14.22059 49.51000       29.33129 24.69690       16.25934 30.27800 9.136217 21.94353 6.836593 8.334473       11.41094 
1 1 1 7   31 19 o 55.53873 3.277854 153.1422       17.74011 154.2000       31.85630 152.6667       21.35835 54.82047 6.036516 55.26832 3.974615 -0.4478569     7.227523 
1 1 1 7   31 20 o 55.35798 3.224623 152.1645       17.39727 171.5000       31.21958 143.4559       20.95195 57.99146 5.568270 53.52874 4.028372 4.462715       6.872657 
1 1 1 7   31 21 o 66.61911 6.577614 229.9919       42.33264 0.000000       0.000000 229.9919       42.33264 ?        ?        66.61911 6.577614 ?              ?        
1 1 1 7   31 22 o 20.85497 9.365445 -9.648000      39.79940 0.000000       0.000000 -9.648000      39.79940 ?        ?        20.85497 9.365445 ?              ?        
1 1 1 7   31 23 o 46.49424 13.86231 138.1000       67.82868 0.000000       0.000000 138.1000       67.82868 ?        ?        46.49424 13.86231 ?              ?        
1 1 1 7   31 24 o 51.28566 7.726478 141.8356       37.58365 0.000000       0.000000 141.8356       37.58365 ?        ?        51.28566 7.726478 ?              ?        
1 1 1 7   31 25 o 57.12735 7.251446 174.5531       39.63615 0.000000       0.000000 174.5531       39.63615 ?        ?        57.12735 7.251446 ?              ?        
1 1 1 7   31 26 o 27.31414 9.847431 39.36951       33.67227 0.000000       0.000000 39.36951       33.67227 ?        ?        27.31414 9.847431 ?              ?        
1 1 1 7   31 27 o 24.26542 9.450091 26.09086       32.30393 0.000000       0.000000 26.09086       32.30393 ?        ?        24.26542 9.450091 ?              ?        
1 1 1 7   31 28 o 28.08302 9.712018 43.91879       32.48405 0.000000       0.000000 43.91879       32.48405 ?        ?        28.08302 9.712018 ?              ?        
1 1 1 7   31 29 o 61.52785 8.028921 208.5000       47.20193 0.000000       0.000000 208.5000       47.20193 ?        ?        61.52785 8.028921 ?              ?        
1 1 1 7   31 30 o 55.44872 6.729711 164.5354       35.77850 0.000000       0.000000 164.5354       35.77850 ?        ?        55.44872 6.729711 ?              ?        
1 1 1 7   31 31 o 48.83560 12.49354 155.6000       59.95681 0.000000       0.000000 155.6000       59.95681 ?        ?        48.83560 12.49354 ?              ?        
1 1 1 7   31 32 o 41.97446 8.303623 100.1155       32.90738 0.000000       0.000000 100.1155       32.90738 ?        ?        41.97446 8.303623 ?              ?        
1 1 1 7   31 33 o 51.60339 6.868177 144.5866       33.83111 0.000000       0.000000 144.5866       33.83111 ?        ?        51.60339 6.868177 ?              ?        
1 1 1 7   31 34 o 49.77619 6.997804 135.3902       33.15480 0.000000       0.000000 135.3902       33.15480 ?        ?        49.77619 6.997804 ?              ?        
1 1 1 7   31 35 o 71.87665 5.645929 272.0301       39.40321 0.000000       0.000000 272.0301       39.40321 ?        ?        71.87665 5.645929 ?              ?        
1 1 1 7   31 36 o 28.93239 9.293374 50.33096       29.84031 0.000000       0.000000 50.33096       29.84031 ?        ?        28.93239 9.293374 ?              ?        
1 1 1 7   31 37 o 29.58637 9.489752 53.52724       31.12274 0.000000       0.000000 53.52724       31.12274 ?        ?        29.58637 9.489752 ?              ?        
1 1 1 7   31 38 o 49.87889 7.190233 138.3549       34.09223 0.000000       0.000000 138.3549       34.09223 ?        ?        49.87889 7.190233 ?              ?        
1 1 1 7   31 39 o 41.08748 9.615953 104.1000       37.98433 0.000000       0.000000 104.1000       37.98433 ?        ?        41.08748 9.615953 ?              ?        
1 1 1 7   31 40 o 16.53452 7.735039 -19.18000      31.19217 0.000000       0.000000 -19.18000      31.19217 ?        ?        16.53452 7.735039 ?              ?        
1 1 1 7   31 41 o 21.31017 9.233193 10.55000       35.52909 0.000000       0.000000 10.55000       35.52909 ?        ?        21.31017 9.233193 ?              ?        
1 1 1 7   31 42 o 35.69809 10.60193 83.59000       39.73561 0.000000       0.000000 83.59000       39.73561 ?        ?        35.69809 10.60193 ?              ?        
1 1 1 7   31 43 o 23.53520 9.568896 26.15000       34.54373 0.000000       0.000000 26.15000       34.54373 ?        ?        23.53520 9.568896 ?              ?        
1 1 1 7   31 44 o 38.81205 9.801929 95.54000       37.24093 0.000000       0.000000 95.54000       37.24093 ?        ?        38.81205 9.801929 ?              ?        
1 1 1 7   31 45 o 26.10992 9.702995 41.07000       33.07370 0.000000       0.000000 41.07000       33.07370 ?        ?        26.10992 9.702995 ?              ?        
1 1 1 7   31 46 o 17.70712 8.044031 -4.770000      30.36812 0.000000       0.000000 -4.770000      30.36812 ?        ?        17.70712 8.044031 ?              ?        
1 1 1 7   31 47 o 33.00562 10.00421 73.11000       35.11360 0.000000       0.000000 73.11000       35.11360 ?        ?        33.00562 10.00421 ?              ?        
1 1 1 7   32 0  o 54.46883 6.191631 151.3876       32.42588 0.000000       0.000000 151.3876       32.42588 ?        ?        54.46883 6.191631 ?              ?        
1 1 1 7   32 1  o 67.65914 4.347115 228.3348       28.63715 205.6000       53.86724 237.2917       33.81089 62.25060 9.110114 68.75288 5.059553 -6.502281      10.42081 
1 1 1 7   32 2  o 55.48300 4.902197 154.6990       26.34938 123.4000       49.83070 166.8471       31.04456 47.14124 11.00091 57.41603 5.594786 -10.27479      12.34187 
1 1 1 7   32 3  o 79.25574 4.185103 312.6239       32.35199 345.7000       60.25591 299.2270       38.34812 81.84034 7.609033 77.22230 5.101941 4.618042       9.161179 
1 1 1 7   32 4  o 81.16042 3.480263 326.1543       27.58368 393.9000       61.92330 309.3843       30.80918 87.56356 7.290869 78.89452 4.002658 8.669044       8.317333 
1 1 1 7   32 5  o 60.94928 3.943495 184.8852       23.40015 176.4000       53.38271 186.9035       26.03471 57.12908 9.905184 61.16523 4.377466 -4.036148      10.82935 
1 1 1 7   32 6  o 90.46230 3.422125 404.9958       30.24726 363.8000       65.10956 416.3333       34.15677 83.65380 8.050878 91.59805 3.818015 -7.944252      8.910324 
1 1 1 7   32 7  o 50.21422 4.420759 126.3605       21.50689 83.23000       49.76557 136.2658       23.84898 38.60403 11.94981 52.07340 4.730513 -13.46938      12.85207 
1 1 1 7   32 8  o 38.31232 5.539063 75.12370       20.16994 34.03000       48.63450 83.65987       22.16606 29.36502 11.54830 40.39822 5.769247 -11.03321      12.90919 
1 1 1 7   32 9  o 109.9732 3.407547 598.5070       36.63622 743.4000       82.43089 562.8404       40.89754 120.4819 7.020164 106.4478 3.931890 14.03415       8.046269 
1 1 1 7   32 10 o 95.55388 3.410717 452.0551       31.84954 497.2000       69.11189 439.8823       35.88749 98.29472 7.233846 94.08894 3.905201 4.205788       8.220653 
1 1 1 7   32 11 o 48.60471 4.530884 118.7243       21.30765 96.08000       48.54003 124.1292       23.71466 41.17086 11.56847 49.58446 4.952307 -8.413597      12.58392 
1 1 1 7   32 12 o 41.69397 4.941154 88.11484       19.77390 129.2000       39.66028 74.52302       22.81140 49.17661 8.549512 37.85699 6.382786 11.31962       10.66931 
1 1 1 7   32 13 o 71.29279 3.778980 252.8154       26.27680 245.3000       47.47304 256.1349       31.55074 68.82317 7.151167 71.51141 4.530713 -2.688232      8.465610 
1 1 1 7   32 14 o 50.54095 4.325278 128.1992       21.19203 150.0000       39.47829 119.3741       25.11773 53.32738 7.793262 48.42482 5.390410 4.902561       9.475836 
1 1 1 7   32 15 o 46.47354 4.926241 109.4159       22.06841 0.000000       0.000000 109.4159       22.06841 ?        ?        46.47354 4.926241 ?              ?        
1 1 1 7   32 16 o 56.95520 4.075731 162.2903       22.57173 179.9000       39.43156 153.7078       27.52802 58.80160 6.987387 55.05796 5.168406 3.743645       8.691145 
1 1 1 7   32 17 o 47.29722 7.026764 117.4012       31.54390 118.7000       36.53761 113.6000       62.50712 46.99820 8.242828 43.41375 13.38454 3.584450       15.71910 
1 1 1 7   32 18 o 32.91499 4.523741 55.21173       14.18953 99.70000       28.85888 41.02725       16.29534 43.45309 7.024601 27.84948 6.142985 15.60361       9.331735 
1 1 1 7   32 19 o 86.47061 3.158932 370.8735       26.69221 378.3000       48.24667 367.5977       32.04274 86.02265 5.763166 85.82281 3.823954 0.1998367      6.916409 
1 1 1 7   32 20 o 20.56646 5.911262 22.19008       12.53120 0.000000       0.000000 22.19008       12.53120 ?        ?        20.56646 5.911262 ?              ?        
1 1 1 7   32 21 o 28.80066 9.912387 44.75473       33.82336 0.000000       0.000000 44.75473       33.82336 ?        ?        28.80066 9.912387 ?              ?        
1 1 1 7   32 22 f 55.80919 7.289354 166.3575       38.86920 0.000000       0.000000 166.3575       38.86920 ?        ?        55.80919 7.289354 ?              ?        
1 1 1 7   32 23 o 58.84744 6.990729 184.2941       39.48169 0.000000       0.000000 184.2941       39.48169 ?        ?        58.84744 6.990729 ?              ?        
1 1 1 7   32 24 o 51.59478 9.740450 152.9000       47.38885 0.000000       0.000000 152.9000       47.38885 ?        ?        51.59478 9.740450 ?              ?        
1 1 1 7   32 25 o 25.90636 11.60831 2.819000       60.77594 0.000000       0.000000 2.819000       60.77594 ?        ?        25.90636 11.60831 ?              ?        
1 1 1 7   32 26 o 43.28198 9.017586 107.2908       36.96202 0.000000       0.000000 107.2908       36.96202 ?        ?        43.28198 9.017586 ?              ?        
1 1 1 7   32 27 o 26.03522 9.678801 35.00280       32.91468 0.000000       0.000000 35.00280       32.91468 ?        ?        26.03522 9.678801 ?              ?        
1 1 1 7   32 28 o 81.71638 7.200958 359.7000       57.00914 0.000000       0.000000 359.7000       57.00914 ?        ?        81.71638 7.200958 ?              ?        
1 1 1 7   32 29 f 41.00148 8.590783 96.10735       33.37227 0.000000       0.000000 96.10735       33.37227 ?        ?        41.00148 8.590783 ?              ?        
1 1 1 7   32 30 o 29.83221 12.21133 46.80000       56.71959 0.000000       0.000000 46.80000       56.71959 ?        ?        29.83221 12.21133 ?              ?        
1 1 1 7   32 31 o 24.50880 9.132973 31.06275       29.34035 0.000000       0.000000 31.06275       29.34035 ?        ?        24.50880 9.132973 ?              ?        
1 1 1 7   32 32 o 37.01699 8.651617 79.89053       30.78155 0.000000       0.000000 79.89053       30.78155 ?        ?        37.01699 8.651617 ?              ?        
1 1 1 7   32 33 o 38.13937 8.463899 84.65980       30.77177 0.000000       0.000000 84.65980       30.77177 ?        ?        38.13937 8.463899 ?              ?        
1 1 1 7   32 34 o 24.07998 9.073342 30.52110       29.12674 0.000000       0.000000 30.52110       29.12674 ?        ?        24.07998 9.073342 ?              ?        
1 1 1 7   32 35 o 41.12504 8.187407 98.03957       31.79887 0.000000       0.000000 98.03957       31.79887 ?        ?        41.12504 8.187407 ?              ?        
1 1 1 7   32 36 f 24.64496 9.237965 33.06957       30.10832 0.000000       0.000000 33.06957       30.10832 ?        ?        24.64496 9.237965 ?              ?        
1 1 1 7   32 37 o 39.50423 8.409981 91.61738       31.52123 0.000000       0.000000 91.61738       31.52123 ?        ?        39.50423 8.409981 ?              ?        
1 1 1 7   32 38 o 26.43633 9.840388 40.56000       34.04345 0.000000       0.000000 40.56000       34.04345 ?        ?        26.43633 9.840388 ?              ?        
1 1 1 7   32 39 o 29.18856 10.22767 53.51000       36.08693 0.000000       0.000000 53.51000       36.08693 ?        ?        29.18856 10.22767 ?              ?        
1 1 1 7   32 40 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   32 41 o 35.15820 10.45023 81.13000       38.59390 0.000000       0.000000 81.13000       38.59390 ?        ?        35.15820 10.45023 ?              ?        
1 1 1 7   32 42 o 23.56316 9.555403 26.72000       34.34222 0.000000       0.000000 26.72000       34.34222 ?        ?        23.56316 9.555403 ?              ?        
1 1 1 7   32 43 o 46.02424 9.052666 129.1000       39.32838 0.000000       0.000000 129.1000       39.32838 ?        ?        46.02424 9.052666 ?              ?        
1 1 1 7   32 44 f 23.42112 9.407605 28.11000       32.93893 0.000000       0.000000 28.11000       32.93893 ?        ?        23.42112 9.407605 ?              ?        
1 1 1 7   32 45 f 23.55287 9.325018 30.27000       31.90310 0.000000       0.000000 30.27000       31.90310 ?        ?        23.55287 9.325018 ?              ?        
1 1 1 7   32 46 o 21.94343 9.032045 22.81000       31.25047 0.000000       0.000000 22.81000       31.25047 ?        ?        21.94343 9.032045 ?              ?        
1 1 1 7   33 0  o 74.27297 3.948589 274.5436       28.60326 0.000000       0.000000 274.5436       28.60326 ?        ?        74.27297 3.948589 ?              ?        
1 1 1 7   33 1  o 41.94514 5.530035 89.87942       22.15213 0.000000       0.000000 89.87942       22.15213 ?        ?        41.94514 5.530035 ?              ?        
1 1 1 7   33 2  o 82.16403 3.456519 334.5649       27.73676 256.2000       58.44877 357.3416       31.51083 69.51900 8.785287 84.80870 3.805580 -15.28970      9.574117 
1 1 1 7   33 3  o 40.60550 6.155492 85.15140       23.69937 119.1000       48.55516 74.53438       27.15350 46.07173 10.93239 37.42919 7.669564 8.642544       13.35438 
1 1 1 7   33 4  o 46.31160 5.557768 109.3428       24.69124 117.2000       49.26107 106.7065       28.53446 45.58936 11.13622 45.37244 6.619915 0.2169189      12.95525 
1 1 1 7   33 5  o 62.55188 3.891160 194.8950       23.70662 277.4000       55.03126 176.0954       26.26904 72.89598 7.835447 59.24978 4.564678 13.64620       9.068104 
1 1 1 7   33 6  o 41.62391 5.213276 88.18332       20.77567 97.07000       50.76125 86.39516       22.77016 41.20379 11.91406 40.99754 5.839019 0.2062492      13.26796 
1 1 1 7   33 7  o 16.87841 6.980224 5.200496       18.78340 -13.23000      46.74385 8.749603       20.51235 22.51995 10.12838 18.29342 7.397007 4.226528       12.54192 
1 1 1 7   33 8  o 30.34546 6.842033 48.81963       19.83606 6.367000       46.55028 58.23840       21.92639 24.77645 10.65067 33.16008 6.976663 -8.383627      12.73226 
1 1 1 7   33 9  o 53.85733 4.275845 145.3907       22.35611 151.9000       50.43048 143.7986       24.94069 52.39499 10.20030 53.38927 4.824536 -0.9942818     11.28372 
1 1 1 7   33 10 o 49.64080 4.519700 124.0511       21.72055 152.4000       49.76937 117.3812       24.14089 52.51843 10.04749 48.05597 5.215694 4.462456       11.32058 
1 1 1 7   33 11 o 59.41151 4.020789 176.3950       23.24461 196.2000       52.76837 171.6267       25.89204 60.19915 9.250793 58.42603 4.563631 1.773121       10.31523 
1 1 1 7   33 12 o 83.20844 3.750303 344.5486       30.46648 386.7000       56.54462 327.3059       36.16495 86.62373 6.721363 80.76162 4.593792 5.862114       8.141232 
1 1 1 7   33 13 o 60.09972 4.157616 180.8905       24.30737 154.4000       44.05960 192.4810       29.14387 53.48949 8.714999 61.75135 4.860800 -8.261860      9.978907 
1 1 1 7   33 14 o 56.15018 3.862026 157.6124       21.09694 134.4000       39.69629 166.7495       24.90536 49.90881 8.425460 57.56627 4.454597 -7.657459      9.530572 
1 1 1 7   33 15 o 60.94525 5.259175 189.0248       31.06692 0.000000       0.000000 189.0248       31.06692 ?        ?        60.94525 5.259175 ?              ?        
1 1 1 7   33 16 o 49.34206 4.722856 123.4760       22.53207 0.000000       0.000000 123.4760       22.53207 ?        ?        49.34206 4.722856 ?              ?        
1 1 1 7   33 17 o 44.74103 5.854460 103.8338       25.02439 134.5000       35.02365 71.85078       35.76776 50.27013 7.333711 35.47057 9.917521 14.79956       12.33453 
1 1 1 7   33 18 o 19.72898 6.757305 19.08758       15.71296 0.000000       0.000000 19.08758       15.71296 ?        ?        19.72898 6.757305 ?              ?        
1 1 1 7   33 19 o 16.92188 5.850541 13.62063       11.78776 5.736000       23.82714 16.17573       13.56392 18.43122 7.759298 18.27007 6.277557 0.1611519      9.980703 
1 1 1 7   33 20 o 29.15939 4.351750 43.67787       12.04115 0.000000       0.000000 43.67787       12.04115 ?        ?        29.15939 4.351750 ?              ?        
1 1 1 7   33 21 o 23.17666 9.340327 20.02227       32.58538 0.000000       0.000000 20.02227       32.58538 ?        ?        23.17666 9.340327 ?              ?        
1 1 1 7   33 22 o 50.24804 7.835314 138.2525       37.28071 0.000000       0.000000 138.2525       37.28071 ?        ?        50.24804 7.835314 ?              ?        
1 1 1 7   33 23 o 23.70877 9.477293 22.78551       33.26200 0.000000       0.000000 22.78551       33.26200 ?        ?        23.70877 9.477293 ?              ?        
1 1 1 7   33 24 o 44.58963 8.990251 113.7985       37.88220 0.000000       0.000000 113.7985       37.88220 ?        ?        44.58963 8.990251 ?              ?        
1 1 1 7   33 25 o 28.03230 9.845688 44.02142       33.45481 0.000000       0.000000 44.02142       33.45481 ?        ?        28.03230 9.845688 ?              ?        
1 1 1 7   33 26 o 59.08802 8.622725 196.7000       48.40216 0.000000       0.000000 196.7000       48.40216 ?        ?        59.08802 8.622725 ?              ?        
1 1 1 7   33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   33 28 f 38.05749 9.111401 85.22432       33.49087 0.000000       0.000000 85.22432       33.49087 ?        ?        38.05749 9.111401 ?              ?        
1 1 1 7   33 29 o 28.31587 12.01279 35.45000       57.83647 0.000000       0.000000 35.45000       57.83647 ?        ?        28.31587 12.01279 ?              ?        
1 1 1 7   33 30 o 47.72187 7.414402 126.2684       33.51002 0.000000       0.000000 126.2684       33.51002 ?        ?        47.72187 7.414402 ?              ?        
1 1 1 7   33 31 o 14.48246 6.930809 -30.60339      27.89513 0.000000       0.000000 -30.60339      27.89513 ?        ?        14.48246 6.930809 ?              ?        
1 1 1 7   33 32 o 21.51421 8.781314 17.99439       29.22742 0.000000       0.000000 17.99439       29.22742 ?        ?        21.51421 8.781314 ?              ?        
1 1 1 7   33 33 o 57.06054 6.353071 176.1334       34.88241 0.000000       0.000000 176.1334       34.88241 ?        ?        57.06054 6.353071 ?              ?        
1 1 1 7   33 34 o 23.07673 8.984406 26.46375       29.19151 0.000000       0.000000 26.46375       29.19151 ?        ?        23.07673 8.984406 ?              ?        
1 1 1 7   33 35 o 24.73715 9.216114 33.65735       29.87389 0.000000       0.000000 33.65735       29.87389 ?        ?        24.73715 9.216114 ?              ?        
1 1 1 7   33 36 o 46.89626 9.087007 132.2000       40.20580 0.000000       0.000000 132.2000       40.20580 ?        ?        46.89626 9.087007 ?              ?        
1 1 1 7   33 37 o 38.69317 10.03847 95.14000       38.34090 0.000000       0.000000 95.14000       38.34090 ?        ?        38.69317 10.03847 ?              ?        
1 1 1 7   33 38 o 24.92029 9.744099 33.38000       34.45670 0.000000       0.000000 33.38000       34.45670 ?        ?        24.92029 9.744099 ?              ?        
1 1 1 7   33 39 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   33 40 o 56.82642 8.346780 189.3000       45.04486 0.000000       0.000000 189.3000       45.04486 ?        ?        56.82642 8.346780 ?              ?        
1 1 1 7   33 41 o 37.85765 9.900746 91.72000       37.09843 0.000000       0.000000 91.72000       37.09843 ?        ?        37.85765 9.900746 ?              ?        
1 1 1 7   33 42 o 25.13347 9.719146 36.25000       33.98504 0.000000       0.000000 36.25000       33.98504 ?        ?        25.13347 9.719146 ?              ?        
1 1 1 7   33 43 o 19.01026 8.413477 3.774000       30.92571 0.000000       0.000000 3.774000       30.92571 ?        ?        19.01026 8.413477 ?              ?        
1 1 1 7   33 44 o 24.43512 9.486276 35.02000       32.47192 0.000000       0.000000 35.02000       32.47192 ?        ?        24.43512 9.486276 ?              ?        
1 1 1 7   34 0  o 12.76844 5.873143 -11.54490      16.86342 18.25000       46.02089 -16.16595      18.12403 26.19699 10.88810 12.66350 5.914966 13.53348       12.39102 
1 1 1 7   34 1  o 92.09190 4.845348 426.2733       43.52332 0.000000       0.000000 426.2733       43.52332 ?        ?        92.09190 4.845348 ?              ?        
1 1 1 7   34 2  o 41.81001 5.471798 89.55806       21.85635 0.000000       0.000000 89.55806       21.85635 ?        ?        41.81001 5.471798 ?              ?        
1 1 1 7   34 3  o 148.6351 3.690808 1096.649       53.69688 1261.000       118.3752 1054.069       60.25253 155.4792 7.803194 145.3369 4.239921 10.14236       8.880696 
1 1 1 7   34 4  o 58.12922 4.833412 170.5182       27.25280 160.7000       52.76383 174.0905       31.82682 53.64613 10.42397 58.42824 5.634803 -4.782112      11.84947 
1 1 1 7   34 5  o 66.42307 4.536401 221.6143       29.31717 220.1000       55.08249 222.2129       34.62960 63.86066 9.066506 66.16626 5.393682 -2.305595      10.54957 
1 1 1 7   34 6  o 44.85321 5.932120 103.7203       25.40621 55.24000       47.56576 123.0723       30.05217 32.47857 11.70469 48.70082 6.463695 -16.22225      13.37083 
1 1 1 7   34 7  o 77.64596 3.607867 299.8495       27.34555 247.5000       57.92172 314.8643       31.02027 67.79971 8.945928 79.42518 4.002980 -11.62547      9.800687 
1 1 1 7   34 8  o 72.54267 3.719058 262.1459       26.31969 242.3000       57.39722 267.4301       29.61705 67.00562 8.976960 73.11400 4.155535 -6.108376      9.892133 
1 1 1 7   34 9  o 38.40550 5.672302 76.24249       20.68267 50.94000       48.12225 81.97546       22.90625 31.59987 11.71141 39.69728 6.089069 -8.097404      13.19977 
1 1 1 7   34 10 o 43.58208 5.058227 96.91979       21.17774 138.8000       49.05185 87.32475       23.47872 49.45646 10.45996 40.98994 6.032022 8.466518       12.07460 
1 1 1 7   34 11 o 45.61043 5.198934 106.3939       22.79659 164.2000       49.49741 90.83121       25.68259 54.33461 9.660818 41.58811 6.523450 12.74651       11.65705 
1 1 1 7   34 12 o 21.31148 7.250329 22.53003       18.08381 53.59000       35.93631 11.99765       20.92648 31.11860 10.21398 19.02526 7.545991 12.09335       12.69911 
1 1 1 7   34 13 o 17.36739 6.918442 9.404649       17.66437 -15.51000      33.12294 19.30673       20.88165 18.21808 8.324178 20.85302 7.717221 -2.634941      11.35110 
1 1 1 7   34 14 o 24.32090 7.677454 31.39434       20.43756 37.71000       33.45724 27.63485       25.81342 27.18266 9.813839 23.85699 8.619245 3.325672       13.06150 
1 1 1 7   34 15 o 22.28025 8.102201 23.50386       22.85822 50.87000       33.37022 -0.6873410     31.37480 30.16479 9.839043 19.59003 8.578988 10.57476       13.05396 
1 1 1 7   34 16 o 45.98445 5.006121 108.4667       22.16965 0.000000       0.000000 108.4667       22.16965 ?        ?        45.98445 5.006121 ?              ?        
1 1 1 7   34 17 o 83.93846 4.081565 354.6293       33.43414 341.4000       48.41852 366.6865       46.22382 80.94796 6.157005 84.31815 5.632960 -3.370186      8.344995 
1 1 1 7   34 18 o 26.72065 5.613356 37.94320       14.21405 47.07000       25.69007 33.91653       17.06391 28.93200 8.507237 24.97084 6.799534 3.961155       10.89067 
1 1 1 7   34 19 o 38.79876 4.759292 77.42899       17.69637 0.000000       0.000000 77.42899       17.69637 ?        ?        38.79876 4.759292 ?              ?        
1 1 1 7   34 20 o 47.58485 3.272255 113.3467       15.14851 0.000000       0.000000 113.3467       15.14851 ?        ?        47.58485 3.272255 ?              ?        
1 1 1 7   34 21 f 19.60132 8.696165 -2.336372      33.23673 0.000000       0.000000 -2.336372      33.23673 ?        ?        19.60132 8.696165 ?              ?        
1 1 1 7   34 22 o 21.18752 9.071973 8.281801       33.52563 0.000000       0.000000 8.281801       33.52563 ?        ?        21.18752 9.071973 ?              ?        
1 1 1 7   34 23 o 42.97062 8.721038 105.6439       35.42654 0.000000       0.000000 105.6439       35.42654 ?        ?        42.97062 8.721038 ?              ?        
1 1 1 7   34 24 o 20.89069 8.847182 10.11129       31.27829 0.000000       0.000000 10.11129       31.27829 ?        ?        20.89069 8.847182 ?              ?        
1 1 1 7   34 25 o 58.35171 8.491172 192.2000       47.07664 0.000000       0.000000 192.2000       47.07664 ?        ?        58.35171 8.491172 ?              ?        
1 1 1 7   34 26 o 37.18423 9.384089 82.44605       34.15099 0.000000       0.000000 82.44605       34.15099 ?        ?        37.18423 9.384089 ?              ?        
1 1 1 7   34 27 o 44.28915 13.12260 136.7000       60.93374 0.000000       0.000000 136.7000       60.93374 ?        ?        44.28915 13.12260 ?              ?        
1 1 1 7   34 28 o 26.91105 10.19657 39.87000       36.90233 0.000000       0.000000 39.87000       36.90233 ?        ?        26.91105 10.19657 ?              ?        
1 1 1 7   34 29 o 31.39144 12.81157 60.70000       62.20477 0.000000       0.000000 60.70000       62.20477 ?        ?        31.39144 12.81157 ?              ?        
1 1 1 7   34 30 o 27.41186 9.418159 44.41983       30.53054 0.000000       0.000000 44.41983       30.53054 ?        ?        27.41186 9.418159 ?              ?        
1 1 1 7   34 31 o 31.61409 9.384471 61.46460       31.13964 0.000000       0.000000 61.46460       31.13964 ?        ?        31.61409 9.384471 ?              ?        
1 1 1 7   34 32 o 16.73487 7.661211 -10.05201      28.23550 0.000000       0.000000 -10.05201      28.23550 ?        ?        16.73487 7.661211 ?              ?        
1 1 1 7   34 33 o 14.81654 7.043458 -25.81520      27.82409 0.000000       0.000000 -25.81520      27.82409 ?        ?        14.81654 7.043458 ?              ?        
1 1 1 7   34 34 o 26.04809 9.168993 39.79496       29.02544 0.000000       0.000000 39.79496       29.02544 ?        ?        26.04809 9.168993 ?              ?        
1 1 1 7   34 35 o 24.39580 9.670379 30.64000       34.34855 0.000000       0.000000 30.64000       34.34855 ?        ?        24.39580 9.670379 ?              ?        
1 1 1 7   34 36 o 24.00944 9.622861 28.81000       34.38468 0.000000       0.000000 28.81000       34.38468 ?        ?        24.00944 9.622861 ?              ?        
1 1 1 7   34 37 o 32.76444 10.43074 70.43000       37.65519 0.000000       0.000000 70.43000       37.65519 ?        ?        32.76444 10.43074 ?              ?        
1 1 1 7   34 38 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   34 39 o 35.95539 10.32837 85.18000       38.26630 0.000000       0.000000 85.18000       38.26630 ?        ?        35.95539 10.32837 ?              ?        
1 1 1 7   34 40 o 34.01012 10.21959 76.17000       36.75569 0.000000       0.000000 76.17000       36.75569 ?        ?        34.01012 10.21959 ?              ?        
1 1 1 7   34 41 o 19.84214 8.704378 7.067000       32.42330 0.000000       0.000000 7.067000       32.42330 ?        ?        19.84214 8.704378 ?              ?        
1 1 1 7   34 42 o 23.54927 9.436366 29.77000       33.05731 0.000000       0.000000 29.77000       33.05731 ?        ?        23.54927 9.436366 ?              ?        
1 1 1 7   34 43 o 19.63028 8.585602 8.733000       31.33443 0.000000       0.000000 8.733000       31.33443 ?        ?        19.63028 8.585602 ?              ?        
1 1 1 7   35 0  o 35.60443 5.761255 65.98161       19.39286 56.49000       50.00568 67.66185       21.03945 32.55608 11.96078 35.90063 6.212011 -3.344551      13.47773 
1 1 1 7   35 1  o 55.44342 4.143915 154.4092       22.32617 123.1000       52.40049 161.3535       24.67822 45.64906 11.68051 56.55682 4.494767 -10.90776      12.51548 
1 1 1 7   35 2  o 37.36761 6.202549 73.19211       21.89165 0.000000       0.000000 73.19211       21.89165 ?        ?        37.36761 6.202549 ?              ?        
1 1 1 7   35 3  o 31.84914 7.145828 54.62986       21.72777 0.000000       0.000000 54.62986       21.72777 ?        ?        31.84914 7.145828 ?              ?        
1 1 1 7   35 4  o 32.22011 6.515304 55.18063       19.84085 50.53000       46.55442 56.21282       21.93243 31.15011 11.52376 32.31424 7.125914 -1.164125      13.54901 
1 1 1 7   35 5  o 89.08343 4.111488 397.5237       35.75439 394.0000       63.56661 399.1544       43.24343 86.35032 7.598119 88.78397 4.996146 -2.433655      9.093562 
1 1 1 7   35 6  o 60.03109 4.767934 182.5826       27.78643 213.4000       51.64424 170.0268       32.96441 62.65725 8.651242 57.37595 5.956166 5.281292       10.50333 
1 1 1 7   35 7  o 84.49962 3.553041 355.8668       29.32183 342.3000       61.66191 359.8309       33.33155 80.04068 7.976538 84.75230 4.029428 -4.711624      8.936523 
1 1 1 7   35 8  o 40.64509 5.528718 85.51167       21.42606 97.78000       48.34262 82.51257       23.90190 40.40671 11.60941 39.56549 6.389405 0.8412132      13.25152 
1 1 1 7   35 9  o 80.94645 3.981198 328.4793       31.44730 347.4000       61.51187 321.7843       36.59053 80.54021 7.904309 79.73972 4.708967 0.8004837      9.200678 
1 1 1 7   35 10 o 74.41200 4.020134 277.9978       29.17253 300.9000       55.56955 269.2848       34.27552 75.02508 7.675045 72.82587 4.835696 2.199203       9.071399 
1 1 1 7   35 11 o 74.48477 3.624238 277.3702       26.34419 292.0000       53.50790 272.6893       30.26670 73.97112 7.493341 73.57756 4.220259 0.3935547      8.600044 
1 1 1 7   35 12 o 43.15496 5.860547 97.34656       24.11656 68.66000       38.95158 115.1790       30.71081 34.17434 10.57094 46.42583 6.973419 -12.25149      12.66386 
1 1 1 7   35 13 o 59.88704 6.272367 188.0692       36.22325 204.1000       44.05216 154.6000       63.65209 61.59422 7.458443 49.03590 13.03769 12.55832       15.02032 
1 1 1 7   35 14 o 31.67851 7.327857 55.23881       22.26995 0.000000       0.000000 55.23881       22.26995 ?        ?        31.67851 7.327857 ?              ?        
1 1 1 7   35 15 o 43.84342 4.523119 98.19975       19.13274 91.04000       33.45177 101.6806       23.32440 40.02840 8.779848 44.18674 5.512330 -4.158340      10.36685 
1 1 1 7   35 16 o 48.92811 4.956358 123.1282       23.41001 0.000000       0.000000 123.1282       23.41001 ?        ?        48.92811 4.956358 ?              ?        
1 1 1 7   35 17 o 17.15193 6.971510 8.409565       18.32930 -19.54000      22.41964 64.74631       31.83002 13.85213 6.504935 33.30334 9.371537 -19.45121      11.40789 
1 1 1 7   35 18 o 11.98621 5.562565 -11.72997      15.62531 0.000000       0.000000 -11.72997      15.62531 ?        ?        11.98621 5.562565 ?              ?        
1 1 1 7   35 19 o 70.39955 3.155242 247.4411       21.68721 0.000000       0.000000 247.4411       21.68721 ?        ?        70.39955 3.155242 ?              ?        
1 1 1 7   35 20 o 42.46148 3.442518 90.74716       14.18534 0.000000       0.000000 90.74716       14.18534 ?        ?        42.46148 3.442518 ?              ?        
1 1 1 7   35 21 o 29.97608 9.873390 52.83659       33.56833 0.000000       0.000000 52.83659       33.56833 ?        ?        29.97608 9.873390 ?              ?        
1 1 1 7   35 22 o 20.63504 8.817758 8.415023       31.55820 0.000000       0.000000 8.415023       31.55820 ?        ?        20.63504 8.817758 ?              ?        
1 1 1 7   35 23 o 27.10941 10.22359 39.84000       36.99748 0.000000       0.000000 39.84000       36.99748 ?        ?        27.10941 10.22359 ?              ?        
1 1 1 7   35 24 o 34.72767 10.53433 75.35000       38.92310 0.000000       0.000000 75.35000       38.92310 ?        ?        34.72767 10.53433 ?              ?        
1 1 1 7   35 25 o 38.78244 8.989584 88.79893       33.45877 0.000000       0.000000 88.79893       33.45877 ?        ?        38.78244 8.989584 ?              ?        
1 1 1 7   35 26 o 32.10904 12.68605 65.90000       58.93227 0.000000       0.000000 65.90000       58.93227 ?        ?        32.10904 12.68605 ?              ?        
1 1 1 7   35 27 o 38.47659 8.929034 87.96381       32.97816 0.000000       0.000000 87.96381       32.97816 ?        ?        38.47659 8.929034 ?              ?        
1 1 1 7   35 28 o 35.40284 9.337879 76.55117       32.81833 0.000000       0.000000 76.55117       32.81833 ?        ?        35.40284 9.337879 ?              ?        
1 1 1 7   35 29 o 23.29542 9.174308 26.50275       30.73229 0.000000       0.000000 26.50275       30.73229 ?        ?        23.29542 9.174308 ?              ?        
1 1 1 7   35 30 o 22.56807 9.626791 16.78000       37.49649 0.000000       0.000000 16.78000       37.49649 ?        ?        22.56807 9.626791 ?              ?        
1 1 1 7   35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   35 32 o 17.64650 7.943856 -4.260824      28.82954 0.000000       0.000000 -4.260824      28.82954 ?        ?        17.64650 7.943856 ?              ?        
1 1 1 7   35 33 o 26.83845 9.994296 43.05000       35.12384 0.000000       0.000000 43.05000       35.12384 ?        ?        26.83845 9.994296 ?              ?        
1 1 1 7   35 34 o 37.03943 10.17044 88.71000       37.99298 0.000000       0.000000 88.71000       37.99298 ?        ?        37.03943 10.17044 ?              ?        
1 1 1 7   35 35 o 34.61409 10.30582 78.36000       37.50976 0.000000       0.000000 78.36000       37.50976 ?        ?        34.61409 10.30582 ?              ?        
1 1 1 7   35 36 f 29.21912 10.69467 55.09000       39.92056 0.000000       0.000000 55.09000       39.92056 ?        ?        29.21912 10.69467 ?              ?        
1 1 1 7   35 37 o 36.05067 10.68545 87.52000       40.39620 0.000000       0.000000 87.52000       40.39620 ?        ?        36.05067 10.68545 ?              ?        
1 1 1 7   35 38 o 24.26628 9.707200 30.98000       34.92115 0.000000       0.000000 30.98000       34.92115 ?        ?        24.26628 9.707200 ?              ?        
1 1 1 7   35 39 o 27.14136 9.997388 46.36000       34.97329 0.000000       0.000000 46.36000       34.97329 ?        ?        27.14136 9.997388 ?              ?        
1 1 1 7   35 40 o 27.76900 9.957945 49.99000       34.37957 0.000000       0.000000 49.99000       34.37957 ?        ?        27.76900 9.957945 ?              ?        
1 1 1 7   35 41 o 34.81309 9.894958 81.14000       35.30403 0.000000       0.000000 81.14000       35.30403 ?        ?        34.81309 9.894958 ?              ?        
1 1 1 7   35 42 o 21.17937 8.999951 17.69000       32.55447 0.000000       0.000000 17.69000       32.55447 ?        ?        21.17937 8.999951 ?              ?        
1 1 1 7   36 0  o 29.94764 6.618502 48.31808       18.88408 26.19000       46.71086 52.64125       20.64653 26.77113 11.03321 31.16582 6.945646 -4.394699      13.03740 
1 1 1 7   36 1  o 39.11295 5.340058 79.25937       19.91099 80.36000       47.69422 79.02706       21.91175 36.47931 11.75206 38.80106 5.959624 -2.321754      13.17680 
1 1 1 7   36 2  o 67.50961 3.741983 228.3460       24.63038 188.2000       52.98740 239.4113       27.81845 57.59966 9.745449 68.95320 4.140738 -11.35354      10.58865 
1 1 1 7   36 3  o 45.84119 5.454247 108.7053       23.99422 0.000000       0.000000 108.7053       23.99422 ?        ?        45.84119 5.454247 ?              ?        
1 1 1 7   36 4  o 36.21468 6.539074 70.03208       22.32687 0.000000       0.000000 70.03208       22.32687 ?        ?        36.21468 6.539074 ?              ?        
1 1 1 7   36 5  o 23.10296 8.134614 26.86450       22.84715 31.09000       45.94662 25.47649       26.33358 27.29405 11.05830 23.26377 8.655596 4.030277       14.04298 
1 1 1 7   36 6  o 24.62568 8.353062 31.98516       24.00111 4.242000       46.34499 42.15281       28.05659 23.64363 10.38823 27.63031 9.022365 -3.986681      13.75930 
1 1 1 7   36 7  o 58.95697 5.109193 178.3636       29.19374 193.1000       53.73026 172.1908       34.77459 58.05223 9.804523 57.24007 6.311271 0.8121643      11.66022 
1 1 1 7   36 8  o 36.93055 6.475000 72.98123       22.55333 71.61000       44.15748 73.46518       26.23302 34.41909 11.32348 36.51379 7.587849 -2.094704      13.63072 
1 1 1 7   36 9  f 22.66623 7.598447 26.86468       19.86102 26.92000       40.13959 26.84675       22.85484 25.60589 10.34976 23.00820 8.132933 2.597691       13.16291 
1 1 1 7   36 10 o 43.65621 5.138971 98.57155       21.53962 107.9000       42.66199 95.38004       24.95370 42.55503 10.34419 42.43888 6.189223 0.1161423      12.05441 
1 1 1 7   36 11 f 55.39997 6.850434 163.9728       36.35722 172.8000       45.56264 148.5000       60.32302 55.57804 8.657167 48.02158 12.65697 7.556458       15.33445 
1 1 1 7   36 12 o 46.33842 5.644692 112.2346       25.07516 0.000000       0.000000 112.2346       25.07516 ?        ?        46.33842 5.644692 ?              ?        
1 1 1 7   36 13 o 27.53112 6.726305 41.50021       17.96893 57.77000       31.12858 33.36962       22.00541 31.48456 9.391840 24.73452 7.983893 6.750044       12.32677 
1 1 1 7   36 14 o 74.08423 3.431003 274.8775       24.81259 286.3000       44.87904 269.8488       29.77763 73.68978 6.281837 72.99874 4.184970 0.6910400      7.548209 
1 1 1 7   36 15 o 16.82097 6.729247 9.210823       16.78259 -21.76000      28.11305 26.35904       20.91901 15.60658 7.314598 22.50516 7.793189 -6.898574      10.68818 
1 1 1 7   36 16 o 20.57611 7.564735 20.12068       20.00832 0.000000       0.000000 20.12068       20.00832 ?        ?        20.57611 7.564735 ?              ?        
1 1 1 7   36 17 o 45.06854 3.951660 103.0904       17.25627 92.37000       27.21950 110.2945       22.31337 41.12812 7.012683 46.13794 5.021774 -5.009815      8.625308 
1 1 1 7   36 18 o 10.51385 4.934976 -12.05649      12.87763 0.000000       0.000000 -12.05649      12.87763 ?        ?        10.51385 4.934976 ?              ?        
1 1 1 7   36 19 o 16.07565 5.801567 11.83341       11.69097 0.000000       0.000000 11.83341       11.69097 ?        ?        16.07565 5.801567 ?              ?        
1 1 1 7   36 20 o 28.91292 3.992674 42.93928       10.99827 0.000000       0.000000 42.93928       10.99827 ?        ?        28.91292 3.992674 ?              ?        
1 1 1 7   36 21 o 29.71266 9.694449 52.75060       32.39542 0.000000       0.000000 52.75060       32.39542 ?        ?        29.71266 9.694449 ?              ?        
1 1 1 7   36 22 o 46.34541 9.396100 127.4000       41.16394 0.000000       0.000000 127.4000       41.16394 ?        ?        46.34541 9.396100 ?              ?        
1 1 1 7   36 23 o 58.65348 6.588840 186.0946       37.17424 0.000000       0.000000 186.0946       37.17424 ?        ?        58.65348 6.588840 ?              ?        
1 1 1 7   36 24 o 39.32533 13.17368 111.4000       59.70005 0.000000       0.000000 111.4000       59.70005 ?        ?        39.32533 13.17368 ?              ?        
1 1 1 7   36 25 o 31.24447 12.51604 62.43000       58.13719 0.000000       0.000000 62.43000       58.13719 ?        ?        31.24447 12.51604 ?              ?        
1 1 1 7   36 26 o 19.49882 8.439711 6.438863       29.62351 0.000000       0.000000 6.438863       29.62351 ?        ?        19.49882 8.439711 ?              ?        
1 1 1 7   36 27 o 35.40382 9.477736 77.73804       33.49445 0.000000       0.000000 77.73804       33.49445 ?        ?        35.40382 9.477736 ?              ?        
1 1 1 7   36 28 o 21.91752 9.091321 18.67828       31.99509 0.000000       0.000000 18.67828       31.99509 ?        ?        21.91752 9.091321 ?              ?        
1 1 1 7   36 29 o 31.25013 9.673669 61.52105       32.61265 0.000000       0.000000 61.52105       32.61265 ?        ?        31.25013 9.673669 ?              ?        
1 1 1 7   36 30 o 35.95667 9.201788 79.55521       32.51717 0.000000       0.000000 79.55521       32.51717 ?        ?        35.95667 9.201788 ?              ?        
1 1 1 7   36 31 o 38.82465 10.06388 96.71000       38.55760 0.000000       0.000000 96.71000       38.55760 ?        ?        38.82465 10.06388 ?              ?        
1 1 1 7   36 32 o 31.72940 10.22383 65.57000       36.09530 0.000000       0.000000 65.57000       36.09530 ?        ?        31.72940 10.22383 ?              ?        
1 1 1 7   36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   36 34 o 19.89391 8.911287 1.047000       35.78403 0.000000       0.000000 1.047000       35.78403 ?        ?        19.89391 8.911287 ?              ?        
1 1 1 7   36 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   36 36 o 36.07855 10.27798 86.21000       38.04708 0.000000       0.000000 86.21000       38.04708 ?        ?        36.07855 10.27798 ?              ?        
1 1 1 7   36 37 o 15.03150 7.230868 -33.18000      31.25774 0.000000       0.000000 -33.18000      31.25774 ?        ?        15.03150 7.230868 ?              ?        
1 1 1 7   36 38 o 22.43331 9.300914 22.89000       33.46544 0.000000       0.000000 22.89000       33.46544 ?        ?        22.43331 9.300914 ?              ?        
1 1 1 7   36 39 o 26.99429 9.751836 47.07000       33.04210 0.000000       0.000000 47.07000       33.04210 ?        ?        26.99429 9.751836 ?              ?        
1 1 1 7   36 40 o 18.52548 8.297944 1.970000       31.02392 0.000000       0.000000 1.970000       31.02392 ?        ?        18.52548 8.297944 ?              ?        
1 1 1 7   37 0  o 80.66817 3.478316 325.7024       27.40032 337.5000       59.60144 322.5409       30.85410 78.69819 7.841485 80.01829 3.951508 -1.320099      8.780849 
1 1 1 7   37 1  o 26.42923 7.028934 38.40755       18.49762 64.76000       43.89428 32.71709       20.39723 32.83068 11.29236 24.49719 7.661096 8.333483       13.64587 
1 1 1 7   37 2  o 86.91518 3.488426 378.0576       29.61749 297.3000       59.63575 404.4982       34.12323 73.21906 8.477466 89.66412 3.897299 -16.44505      9.330400 
1 1 1 7   37 3  o 16.79146 6.909043 6.960809       18.27768 13.17000       42.94101 5.586952       20.19880 23.91280 10.25358 17.11525 7.170824 6.797552       12.51225 
1 1 1 7   37 4  o 20.12143 7.671948 17.44787       20.97165 0.000000       0.000000 17.44787       20.97165 ?        ?        20.12143 7.671948 ?              ?        
1 1 1 7   37 5  o 40.70831 6.033694 87.78334       23.31537 0.000000       0.000000 87.78334       23.31537 ?        ?        40.70831 6.033694 ?              ?        
1 1 1 7   37 6  o 30.01272 7.350827 50.02261       21.42035 42.16000       40.80004 53.01447       25.16793 28.20162 10.71320 30.56290 8.230589 -2.361282      13.50982 
1 1 1 7   37 7  o 32.28992 8.248260 59.27327       26.16045 69.83000       40.52329 51.73000       34.25466 33.86568 10.82503 29.86205 9.978421 4.003637       14.72244 
1 1 1 7   37 8  o 15.94332 7.116090 -4.971967      22.60154 -20.28000      37.68662 3.626397       28.24460 18.63214 8.644062 19.10830 8.255768 -0.4761524     11.95314 
1 1 1 7   37 9  o 24.35995 9.407373 28.00689       31.80828 5.197000       38.98083 73.46000       55.02643 21.91937 9.581641 34.14230 12.54631 -12.22292      15.78663 
1 1 1 7   37 10 o 70.57764 5.885883 261.1301       40.29181 0.000000       0.000000 261.1301       40.29181 ?        ?        70.57764 5.885883 ?              ?        
1 1 1 7   37 11 o 35.55040 5.992751 67.46240       20.11263 22.04000       39.54475 83.31219       23.35961 24.42679 10.11742 39.44855 6.258330 -15.02176      11.89659 
1 1 1 7   37 12 o 19.30193 7.046472 17.56367       17.31339 -1.206000      28.61731 28.40017       21.74428 18.39519 8.119489 23.14185 7.948346 -4.746662      11.36232 
1 1 1 7   37 13 o 26.36366 6.743906 38.36362       17.47112 36.83000       29.71761 39.17366       21.59780 25.97069 9.264476 26.38696 7.811154 -0.4162750     12.11795 
1 1 1 7   37 14 o 22.50185 7.171475 27.39929       17.79568 48.28000       29.95603 16.01151       22.12235 28.80602 9.316652 19.89166 7.798861 8.914360       12.14999 
1 1 1 7   37 15 o 42.30138 4.833962 92.65319       19.65646 91.35000       32.64680 93.39427       24.61905 39.78838 8.631344 41.76118 6.211544 -1.972801      10.63407 
1 1 1 7   37 16 o 15.41243 6.797845 -2.153175      20.02378 0.000000       0.000000 -2.153175      20.02378 ?        ?        15.41243 6.797845 ?              ?        
1 1 1 7   37 17 o 17.71128 6.582880 14.10365       15.22418 0.000000       0.000000 14.10365       15.22418 ?        ?        17.71128 6.582880 ?              ?        
1 1 1 7   37 18 o 29.55254 7.188334 49.10011       20.59135 0.000000       0.000000 49.10011       20.59135 ?        ?        29.55254 7.188334 ?              ?        
1 1 1 7   37 19 o 47.29429 3.531987 112.9958       16.23254 0.000000       0.000000 112.9958       16.23254 ?        ?        47.29429 3.531987 ?              ?        
1 1 1 7   37 20 o 37.41379 8.923603 83.13367       32.21978 0.000000       0.000000 83.13367       32.21978 ?        ?        37.41379 8.923603 ?              ?        
1 1 1 7   37 21 o 19.83263 8.694265 3.659000       32.29844 0.000000       0.000000 3.659000       32.29844 ?        ?        19.83263 8.694265 ?              ?        
1 1 1 7   37 22 o 33.23778 9.062620 66.71439       30.28946 0.000000       0.000000 66.71439       30.28946 ?        ?        33.23778 9.062620 ?              ?        
1 1 1 7   37 23 o 31.19864 12.27632 63.79000       54.98686 0.000000       0.000000 63.79000       54.98686 ?        ?        31.19864 12.27632 ?              ?        
1 1 1 7   37 24 o 45.07339 8.048428 117.4879       34.20591 0.000000       0.000000 117.4879       34.20591 ?        ?        45.07339 8.048428 ?              ?        
1 1 1 7   37 25 o 47.95331 7.664898 131.0498       34.76662 0.000000       0.000000 131.0498       34.76662 ?        ?        47.95331 7.664898 ?              ?        
1 1 1 7   37 26 o 20.23408 8.651722 10.77717       30.41457 0.000000       0.000000 10.77717       30.41457 ?        ?        20.23408 8.651722 ?              ?        
1 1 1 7   37 27 o 63.57162 6.373750 220.2362       39.12667 0.000000       0.000000 220.2362       39.12667 ?        ?        63.57162 6.373750 ?              ?        
1 1 1 7   37 28 o 34.45732 10.41452 77.77000       38.09089 0.000000       0.000000 77.77000       38.09089 ?        ?        34.45732 10.41452 ?              ?        
1 1 1 7   37 29 o 48.01281 9.334512 141.4000       42.28837 0.000000       0.000000 141.4000       42.28837 ?        ?        48.01281 9.334512 ?              ?        
1 1 1 7   37 30 o 43.01712 9.730247 116.4000       40.00834 0.000000       0.000000 116.4000       40.00834 ?        ?        43.01712 9.730247 ?              ?        
1 1 1 7   37 31 o 33.31867 10.36467 73.46000       37.38655 0.000000       0.000000 73.46000       37.38655 ?        ?        33.31867 10.36467 ?              ?        
1 1 1 7   37 32 o 19.36404 8.731251 -1.533000      34.99046 0.000000       0.000000 -1.533000      34.99046 ?        ?        19.36404 8.731251 ?              ?        
1 1 1 7   37 33 o 28.49445 10.37996 52.26000       37.53979 0.000000       0.000000 52.26000       37.53979 ?        ?        28.49445 10.37996 ?              ?        
1 1 1 7   37 34 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   37 35 o 22.04411 9.461129 16.80000       36.62370 0.000000       0.000000 16.80000       36.62370 ?        ?        22.04411 9.461129 ?              ?        
1 1 1 7   37 36 f 26.90883 10.18236 45.97000       36.77113 0.000000       0.000000 45.97000       36.77113 ?        ?        26.90883 10.18236 ?              ?        
1 1 1 7   37 37 o 34.79696 10.20449 82.27000       37.00541 0.000000       0.000000 82.27000       37.00541 ?        ?        34.79696 10.20449 ?              ?        
1 1 1 7   37 38 o 13.14180 6.476728 -49.72000      29.69420 0.000000       0.000000 -49.72000      29.69420 ?        ?        13.14180 6.476728 ?              ?        
1 1 1 7   37 39 o 39.42252 9.647992 102.8000       36.92184 0.000000       0.000000 102.8000       36.92184 ?        ?        39.42252 9.647992 ?              ?        
1 1 1 7   38 0  o 17.69116 6.941679 11.74370       17.53854 -20.60000      44.23445 17.77670       19.10436 20.14089 9.351203 19.72169 7.365560 0.4192009      11.90363 
1 1 1 7   38 1  o 89.44942 3.459902 401.1652       30.23624 330.3000       62.52982 422.7916       34.54317 76.75748 8.462932 91.56461 3.862826 -14.80713      9.302830 
1 1 1 7   38 2  o 56.18036 4.133296 160.3262       22.57024 75.78000       47.25397 185.3152       25.69012 34.53234 11.72050 60.28580 4.383512 -25.75346      12.51341 
1 1 1 7   38 3  o 57.10490 4.123967 165.6110       22.89599 154.8000       46.99117 168.9765       26.21875 51.27888 9.717653 57.37242 4.710209 -6.093544      10.79902 
1 1 1 7   38 4  o 17.83044 7.150232 10.72346       18.99512 14.65000       39.10516 9.510900       21.73104 23.16118 9.853835 18.32355 7.535853 4.837633       12.40513 
1 1 1 7   38 5  o 40.23494 7.160185 88.98599       27.16531 0.000000       0.000000 88.98599       27.16531 ?        ?        40.23494 7.160185 ?              ?        
1 1 1 7   38 6  o 45.57040 6.478784 111.6066       28.08568 0.000000       0.000000 111.6066       28.08568 ?        ?        45.57040 6.478784 ?              ?        
1 1 1 7   38 7  o 42.49776 6.166871 96.55299       24.90450 69.24000       41.84953 111.5293       30.98907 33.30171 11.02653 45.02463 7.279880 -11.72292      13.21291 
1 1 1 7   38 8  o 22.33398 10.18070 -7.804000      49.16861 0.000000       0.000000 -7.804000      49.16861 ?        ?        22.33398 10.18070 ?              ?        
1 1 1 7   38 9  o 53.87162 4.420213 148.4696       23.10343 136.4000       46.05801 152.5277       26.70638 47.48619 10.21257 54.23154 5.090546 -6.745350      11.41097 
1 1 1 7   38 10 o 69.71746 3.744464 245.2789       25.45899 301.7000       50.49988 226.0527       29.47931 74.67299 6.990340 66.43922 4.560672 8.233772       8.346532 
1 1 1 7   38 11 o 16.44077 6.916054 5.048337       18.90681 1.307000       35.67391 6.509728       22.29566 20.46855 9.048664 17.80643 7.501572 2.662119       11.75380 
1 1 1 7   38 12 o 21.26063 7.174644 23.85907       17.70585 3.850000       29.30794 35.35911       22.21885 19.25404 8.363854 25.10575 8.014630 -5.851717      11.58397 
1 1 1 7   38 13 o 42.32092 4.928500 93.19282       20.03467 113.7000       35.48155 83.59417       24.27473 44.47989 8.458570 39.19013 6.559707 5.289764       10.70407 
1 1 1 7   38 14 o 55.78059 3.943624 158.1290       21.39321 174.3000       37.52749 150.3438       26.03855 56.51130 6.929183 53.78541 5.003284 2.725887       8.546721 
1 1 1 7   38 15 o 34.07385 5.784339 62.27918       18.60306 78.38000       31.79197 53.89578       22.94054 36.30419 8.993392 30.71779 7.656996 5.586403       11.81146 
1 1 1 7   38 16 o 28.66191 7.502418 46.86227       21.28981 0.000000       0.000000 46.86227       21.28981 ?        ?        28.66191 7.502418 ?              ?        
1 1 1 7   38 17 o 10.29391 4.950535 -19.64596      14.62869 0.000000       0.000000 -19.64596      14.62869 ?        ?        10.29391 4.950535 ?              ?        
1 1 1 7   38 18 o 22.27849 7.412751 27.09700       18.90771 0.000000       0.000000 27.09700       18.90771 ?        ?        22.27849 7.412751 ?              ?        
1 1 1 7   38 19 o 21.86837 5.847211 26.18804       12.75803 0.000000       0.000000 26.18804       12.75803 ?        ?        21.86837 5.847211 ?              ?        
1 1 1 7   38 20 o 21.51061 8.818789 18.15686       29.64003 0.000000       0.000000 18.15686       29.64003 ?        ?        21.51061 8.818789 ?              ?        
1 1 1 7   38 21 o 43.87913 8.248440 112.4537       34.12693 0.000000       0.000000 112.4537       34.12693 ?        ?        43.87913 8.248440 ?              ?        
1 1 1 7   38 22 o 22.20716 10.32227 -11.01000      54.13515 0.000000       0.000000 -11.01000      54.13515 ?        ?        22.20716 10.32227 ?              ?        
1 1 1 7   38 23 o 29.10057 9.606170 52.96798       31.76983 0.000000       0.000000 52.96798       31.76983 ?        ?        29.10057 9.606170 ?              ?        
1 1 1 7   38 24 o 29.16606 9.886333 53.83502       33.62054 0.000000       0.000000 53.83502       33.62054 ?        ?        29.16606 9.886333 ?              ?        
1 1 1 7   38 25 o 31.45931 10.76182 65.64000       39.85214 0.000000       0.000000 65.64000       39.85214 ?        ?        31.45931 10.76182 ?              ?        
1 1 1 7   38 26 o 23.36798 9.749194 23.69000       37.09984 0.000000       0.000000 23.69000       37.09984 ?        ?        23.36798 9.749194 ?              ?        
1 1 1 7   38 27 o 21.73099 9.257478 15.97000       34.59400 0.000000       0.000000 15.97000       34.59400 ?        ?        21.73099 9.257478 ?              ?        
1 1 1 7   38 28 o 21.64097 9.182826 16.40000       33.80739 0.000000       0.000000 16.40000       33.80739 ?        ?        21.64097 9.182826 ?              ?        
1 1 1 7   38 29 f 29.20452 10.38615 55.51000       37.32186 0.000000       0.000000 55.51000       37.32186 ?        ?        29.20452 10.38615 ?              ?        
1 1 1 7   38 30 o 22.62382 9.535276 20.65000       36.04869 0.000000       0.000000 20.65000       36.04869 ?        ?        22.62382 9.535276 ?              ?        
1 1 1 7   38 31 o 44.41245 9.841813 125.6000       41.65870 0.000000       0.000000 125.6000       41.65870 ?        ?        44.41245 9.841813 ?              ?        
1 1 1 7   38 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   38 33 o 20.01439 8.831133 6.332000       33.82575 0.000000       0.000000 6.332000       33.82575 ?        ?        20.01439 8.831133 ?              ?        
1 1 1 7   38 34 o 19.52926 8.624905 5.767000       32.33419 0.000000       0.000000 5.767000       32.33419 ?        ?        19.52926 8.624905 ?              ?        
1 1 1 7   38 35 o 22.75105 9.355521 25.63000       33.48716 0.000000       0.000000 25.63000       33.48716 ?        ?        22.75105 9.355521 ?              ?        
1 1 1 7   38 36 o 19.26272 8.531391 5.929000       31.85490 0.000000       0.000000 5.929000       31.85490 ?        ?        19.26272 8.531391 ?              ?        
1 1 1 7   38 37 o 23.39806 9.492735 30.66000       33.91090 0.000000       0.000000 30.66000       33.91090 ?        ?        23.39806 9.492735 ?              ?        
1 1 1 7   39 0  o 34.42133 5.901103 63.55590       19.16710 48.47000       40.74800 67.84216       21.72001 28.89132 10.76359 35.25945 6.533845 -6.368130      12.59151 
1 1 1 7   39 1  f 28.86445 6.758428 46.18794       18.75640 66.16000       40.77225 40.82676       21.12435 32.50056 10.88684 26.83125 7.663246 5.669302       13.31348 
1 1 1 7   39 2  o 33.08544 6.275796 59.46979       19.58072 38.11000       41.62283 65.54029       22.18939 27.05105 10.66959 34.48686 6.815067 -7.435812      12.66038 
1 1 1 7   39 3  o 23.04169 7.489024 29.05215       19.34218 55.46000       40.20234 21.09817       22.06363 30.23828 10.77678 21.05679 7.904925 9.181488       13.36513 
1 1 1 7   39 4  o 43.25130 5.616956 98.91934       23.21855 80.86000       42.56812 106.5676       27.70225 35.53725 11.06037 44.32948 6.584031 -8.792225      12.87173 
1 1 1 7   39 5  o 41.99040 6.030963 94.35565       24.07769 67.89000       41.80264 107.4949       29.45427 32.76351 11.02403 44.21884 7.040983 -11.45533      13.08070 
1 1 1 7   39 6  o 34.47506 7.140854 66.28862       23.30359 0.000000       0.000000 66.28862       23.30359 ?        ?        34.47506 7.140854 ?              ?        
1 1 1 7   39 7  o 53.45602 6.819656 155.6280       34.87190 0.000000       0.000000 155.6280       34.87190 ?        ?        53.45602 6.819656 ?              ?        
1 1 1 7   39 8  o 22.96804 7.575403 28.95559       19.75863 47.00000       39.84343 23.07085       22.75355 28.37964 10.62926 21.60565 8.044379 6.773993       13.33016 
1 1 1 7   39 9  o 21.48736 8.048069 22.59537       22.84232 41.32000       38.20706 12.17970       28.49579 27.17877 10.35708 20.35922 8.522702 6.819557       13.41288 
1 1 1 7   39 10 o 50.51700 4.468395 131.3247       21.86746 117.4000       41.96587 136.5148       25.62064 43.72266 10.02071 51.08296 5.196231 -7.360302      11.28785 
1 1 1 7   39 11 o 27.23442 7.080965 41.84595       19.04951 3.730000       32.70784 61.41209       23.43424 19.93659 8.744247 32.88961 7.452333 -12.95302      11.48909 
1 1 1 7   39 12 o 26.07463 7.056521 38.38765       18.44515 31.22000       31.62562 42.08275       22.70721 24.50905 9.402285 26.96540 8.016020 -2.456356      12.35555 
1 1 1 7   39 13 o 15.51882 6.588462 3.661178       17.41852 -16.97000      27.74515 17.08261       22.37816 15.81186 7.363164 19.97683 7.840368 -4.164967      10.75582 
1 1 1 7   39 14 o 18.38541 6.991241 15.04675       17.38595 5.674000       27.52074 21.27172       22.42826 18.91626 8.160931 21.00984 7.951819 -2.093578      11.39439 
1 1 1 7   39 15 o 23.23170 8.052358 29.73359       22.33580 0.000000       0.000000 29.73359       22.33580 ?        ?        23.23170 8.052358 ?              ?        
1 1 1 7   39 16 o 23.21237 6.868381 30.22840       16.70189 0.000000       0.000000 30.22840       16.70189 ?        ?        23.21237 6.868381 ?              ?        
1 1 1 7   39 17 o 44.44455 5.363937 104.8337       22.86366 0.000000       0.000000 104.8337       22.86366 ?        ?        44.44455 5.363937 ?              ?        
1 1 1 7   39 18 o 17.11708 7.048430 8.903331       19.04176 0.000000       0.000000 8.903331       19.04176 ?        ?        17.11708 7.048430 ?              ?        
1 1 1 7   39 19 o 19.99003 5.876153 21.87338       12.25828 0.000000       0.000000 21.87338       12.25828 ?        ?        19.99003 5.876153 ?              ?        
1 1 1 7   39 20 o 27.50550 11.81062 39.86000       57.12168 0.000000       0.000000 39.86000       57.12168 ?        ?        27.50550 11.81062 ?              ?        
1 1 1 7   39 21 o 24.58406 9.443083 33.56852       31.92851 0.000000       0.000000 33.56852       31.92851 ?        ?        24.58406 9.443083 ?              ?        
1 1 1 7   39 22 o 29.89549 9.638003 56.58601       32.07451 0.000000       0.000000 56.58601       32.07451 ?        ?        29.89549 9.638003 ?              ?        
1 1 1 7   39 23 o 60.00189 6.538157 198.0017       37.77916 0.000000       0.000000 198.0017       37.77916 ?        ?        60.00189 6.538157 ?              ?        
1 1 1 7   39 24 o 27.22186 9.479352 45.88301       30.97125 0.000000       0.000000 45.88301       30.97125 ?        ?        27.22186 9.479352 ?              ?        
1 1 1 7   39 25 o 17.80877 8.000328 -2.435040      29.07137 0.000000       0.000000 -2.435040      29.07137 ?        ?        17.80877 8.000328 ?              ?        
1 1 1 7   39 26 o 48.41006 9.389650 145.3000       42.88713 0.000000       0.000000 145.3000       42.88713 ?        ?        48.41006 9.389650 ?              ?        
1 1 1 7   39 27 o 29.50875 10.35570 57.21000       37.00537 0.000000       0.000000 57.21000       37.00537 ?        ?        29.50875 10.35570 ?              ?        
1 1 1 7   39 28 o 27.41732 10.31876 47.32000       37.64700 0.000000       0.000000 47.32000       37.64700 ?        ?        27.41732 10.31876 ?              ?        
1 1 1 7   39 29 o 29.15928 10.48799 56.41000       38.16907 0.000000       0.000000 56.41000       38.16907 ?        ?        29.15928 10.48799 ?              ?        
1 1 1 7   39 30 o 19.11555 8.625737 -0.8640000     34.22463 0.000000       0.000000 -0.8640000     34.22463 ?        ?        19.11555 8.625737 ?              ?        
1 1 1 7   39 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   39 32 o 44.43657 9.516938 126.0000       40.14728 0.000000       0.000000 126.0000       40.14728 ?        ?        44.43657 9.516938 ?              ?        
1 1 1 7   39 33 o 20.54494 8.881402 13.01000       32.72361 0.000000       0.000000 13.01000       32.72361 ?        ?        20.54494 8.881402 ?              ?        
1 1 1 7   39 34 o 28.87645 10.06363 57.10000       34.91065 0.000000       0.000000 57.10000       34.91065 ?        ?        28.87645 10.06363 ?              ?        
1 1 1 7   39 35 o 38.54917 9.924110 101.0000       37.66849 0.000000       0.000000 101.0000       37.66849 ?        ?        38.54917 9.924110 ?              ?        
1 1 1 7   40 0  o 28.34248 6.983267 45.27005       19.24549 32.70000       40.67451 48.89599       21.84562 25.72830 10.41156 29.18631 7.580051 -3.458017      12.87858 
1 1 1 7   40 1  o 66.43345 3.906608 224.3308       25.29133 166.2000       49.50372 244.8631       29.42079 52.04974 10.08081 69.09652 4.372452 -17.04678      10.98822 
1 1 1 7   40 2  o 25.26962 8.577457 36.41216       25.30835 29.41000       40.49537 40.90000       32.41961 25.16033 10.31071 26.63621 9.654428 -1.475880      14.12511 
1 1 1 7   40 3  o 34.92802 6.571509 67.26909       21.64268 77.63000       40.27787 63.06327       25.66216 34.62645 10.75582 32.92749 8.034314 1.698956       13.42527 
1 1 1 7   40 4  o 17.82697 7.445111 8.240306       21.66887 0.000000       0.000000 8.240306       21.66887 ?        ?        17.82697 7.445111 ?              ?        
1 1 1 7   40 5  o 79.42143 4.341368 323.3159       33.62140 285.1000       54.85054 346.3165       42.55276 70.82635 8.054813 81.23634 5.381787 -10.40999      9.687293 
1 1 1 7   40 6  o 28.52483 8.382465 48.01236       24.94839 27.42000       39.81048 61.32952       32.01476 24.68903 10.18148 31.52710 9.551844 -6.838074      13.96067 
1 1 1 7   40 7  o 28.62228 7.932699 47.71234       22.99323 0.000000       0.000000 47.71234       22.99323 ?        ?        28.62228 7.932699 ?              ?        
1 1 1 7   40 8  o 59.42093 4.812474 183.3226       27.75138 0.000000       0.000000 183.3226       27.75138 ?        ?        59.42093 4.812474 ?              ?        
1 1 1 7   40 9  o 24.19222 8.120404 33.06956       22.68269 55.99000       37.58908 19.94377       28.44546 29.88731 10.44080 21.68031 8.730519 8.206997       13.61000 
1 1 1 7   40 10 o 26.82073 8.084111 42.05090       22.97389 29.29000       37.60566 49.64939       29.01859 24.64248 9.996908 28.62775 9.161426 -3.985270      13.55986 
1 1 1 7   40 11 o 27.57812 7.051454 43.31351       19.10678 40.60000       32.06834 44.80696       23.79064 26.35033 9.594519 27.55853 8.208139 -1.208197      12.62649 
1 1 1 7   40 12 o 22.73363 7.219738 29.01191       18.04921 50.34000       29.90942 16.79646       22.63532 28.65718 9.312613 19.83670 7.854350 8.820482       12.18259 
1 1 1 7   40 13 f 28.12251 6.816789 44.84496       18.56701 47.41000       29.13238 43.09035       24.09457 27.87423 9.198681 26.93922 8.310747 0.9350071      12.39694 
1 1 1 7   40 14 o 34.74526 7.352612 69.31415       24.22485 0.000000       0.000000 69.31415       24.22485 ?        ?        34.74526 7.352612 ?              ?        
1 1 1 7   40 15 o 38.15282 5.305492 77.68723       19.27805 0.000000       0.000000 77.68723       19.27805 ?        ?        38.15282 5.305492 ?              ?        
1 1 1 7   40 16 o 49.57955 4.465055 127.6417       21.43693 0.000000       0.000000 127.6417       21.43693 ?        ?        49.57955 4.465055 ?              ?        
1 1 1 7   40 17 o 22.28503 8.038628 27.20745       22.44195 0.000000       0.000000 27.20745       22.44195 ?        ?        22.28503 8.038628 ?              ?        
1 1 1 7   40 18 o 20.10233 7.269177 21.03028       18.36531 0.000000       0.000000 21.03028       18.36531 ?        ?        20.10233 7.269177 ?              ?        
1 1 1 7   40 19 o 55.95874 3.521927 159.0213       19.19314 0.000000       0.000000 159.0213       19.19314 ?        ?        55.95874 3.521927 ?              ?        
1 1 1 7   40 20 o 22.69330 8.924124 25.96399       29.04175 0.000000       0.000000 25.96399       29.04175 ?        ?        22.69330 8.924124 ?              ?        
1 1 1 7   40 21 o 21.94578 8.810796 22.75698       28.87771 0.000000       0.000000 22.75698       28.87771 ?        ?        21.94578 8.810796 ?              ?        
1 1 1 7   40 22 o 21.63638 8.824279 20.70671       29.48611 0.000000       0.000000 20.70671       29.48611 ?        ?        21.63638 8.824279 ?              ?        
1 1 1 7   40 23 o 18.31888 8.173387 0.3351870      29.78799 0.000000       0.000000 0.3351870      29.78799 ?        ?        18.31888 8.173387 ?              ?        
1 1 1 7   40 24 o 17.07339 7.791506 -7.188316      28.90325 0.000000       0.000000 -7.188316      28.90325 ?        ?        17.07339 7.791506 ?              ?        
1 1 1 7   40 25 o 27.85517 9.570283 49.19258       31.52472 0.000000       0.000000 49.19258       31.52472 ?        ?        27.85517 9.570283 ?              ?        
1 1 1 7   40 26 o 26.13664 9.546165 41.86699       31.78142 0.000000       0.000000 41.86699       31.78142 ?        ?        26.13664 9.546165 ?              ?        
1 1 1 7   40 27 o 37.59250 10.75222 97.30000       41.55751 0.000000       0.000000 97.30000       41.55751 ?        ?        37.59250 10.75222 ?              ?        
1 1 1 7   40 28 o 24.67771 9.780526 34.71000       35.13007 0.000000       0.000000 34.71000       35.13007 ?        ?        24.67771 9.780526 ?              ?        
1 1 1 7   40 29 o 33.03649 10.63809 75.60000       39.08389 0.000000       0.000000 75.60000       39.08389 ?        ?        33.03649 10.63809 ?              ?        
1 1 1 7   40 30 o 36.96691 10.39676 93.62000       39.18639 0.000000       0.000000 93.62000       39.18639 ?        ?        36.96691 10.39676 ?              ?        
1 1 1 7   40 31 o 22.46656 9.263962 24.96000       32.95388 0.000000       0.000000 24.96000       32.95388 ?        ?        22.46656 9.263962 ?              ?        
1 1 1 7   40 32 o 23.76128 9.512143 32.62000       33.55696 0.000000       0.000000 32.62000       33.55696 ?        ?        23.76128 9.512143 ?              ?        
1 1 1 7   40 33 o 22.15792 8.738543 27.39388       27.91683 0.000000       0.000000 27.39388       27.91683 ?        ?        22.15792 8.738543 ?              ?        
1 1 1 7   40 34 o 20.81561 8.522512 21.33194       27.63556 0.000000       0.000000 21.33194       27.63556 ?        ?        20.81561 8.522512 ?              ?        
1 1 1 7   41 0  o 48.20658 9.955031 145.0000       45.41742 145.0000       45.41742 0.000000       0.000000 48.20658 9.955031 ?        ?        ?              ?        
1 1 1 7   41 1  o 21.34114 8.006141 23.05094       22.62395 0.000000       0.000000 23.05094       22.62395 ?        ?        21.34114 8.006141 ?              ?        
1 1 1 7   41 2  o 24.38688 7.578168 34.14075       19.99217 33.28000       39.45802 34.43804       23.18899 25.35478 10.25675 24.46731 8.210508 0.8874683      13.13824 
1 1 1 7   41 3  o 25.17521 7.245452 36.35746       18.81448 23.76000       39.27308 40.10985       21.43422 23.79780 9.986637 26.21765 7.786687 -2.419851      12.66355 
1 1 1 7   41 4  o 28.34267 8.355456 48.02729       24.75477 0.7329000      39.31189 79.10291       31.86611 20.68057 9.295809 35.91850 9.064770 -15.23793      12.98392 
1 1 1 7   41 5  o 46.76120 4.806003 114.4461       21.68483 80.47000       42.25505 126.5933       25.26558 34.46469 11.05775 48.81577 5.376588 -14.35108      12.29559 
1 1 1 7   41 6  o 23.35451 7.501734 31.06209       19.44373 48.19000       38.82135 25.32681       22.46445 27.90945 10.48391 21.85793 8.019007 6.051512       13.19912 
1 1 1 7   41 7  o 28.91636 7.194608 48.18890       20.28101 -4.399000      38.20901 68.81664       23.93032 19.78418 9.001414 34.64133 7.288672 -14.85715      11.58232 
1 1 1 7   41 8  o 59.57811 4.861158 185.8244       28.10247 0.000000       0.000000 185.8244       28.10247 ?        ?        59.57811 4.861158 ?              ?        
1 1 1 7   41 9  o 36.88929 5.895778 74.15458       20.57221 64.82000       39.30268 77.67718       24.14384 31.19201 10.68689 37.10749 6.901132 -5.915480      12.72145 
1 1 1 7   41 10 o 21.29889 7.815291 23.89905       21.33906 4.292000       33.13705 37.79053       27.89215 19.74848 8.726094 25.31998 8.981325 -5.571503      12.52234 
1 1 1 7   41 11 o 42.59722 4.871784 95.57448       19.94814 101.9000       31.84365 91.48887       25.59194 41.59558 8.112604 40.46133 6.695841 1.134251       10.51897 
1 1 1 7   41 12 o 48.33738 4.352933 121.2075       20.37506 91.06000       32.00166 141.7596       26.42261 38.75623 8.654744 51.62038 5.304769 -12.86415      10.15112 
1 1 1 7   41 13 o 32.05624 7.729714 60.61107       23.96975 0.000000       0.000000 60.61107       23.96975 ?        ?        32.05624 7.729714 ?              ?        
1 1 1 7   41 14 o 43.75555 4.858424 100.8719       20.45786 0.000000       0.000000 100.8719       20.45786 ?        ?        43.75555 4.858424 ?              ?        
1 1 1 7   41 15 o 47.55119 4.860250 118.9194       22.30392 0.000000       0.000000 118.9194       22.30392 ?        ?        47.55119 4.860250 ?              ?        
1 1 1 7   41 16 o 17.07634 6.805906 11.21692       17.10281 0.000000       0.000000 11.21692       17.10281 ?        ?        17.07634 6.805906 ?              ?        
1 1 1 7   41 17 o 28.50261 8.755412 50.19290       26.77682 0.000000       0.000000 50.19290       26.77682 ?        ?        28.50261 8.755412 ?              ?        
1 1 1 7   41 18 o 9.002680 4.484716 -37.17393      15.74271 0.000000       0.000000 -37.17393      15.74271 ?        ?        9.002680 4.484716 ?              ?        
1 1 1 7   41 19 o 12.42985 5.506439 -2.133395      13.27792 0.000000       0.000000 -2.133395      13.27792 ?        ?        12.42985 5.506439 ?              ?        
1 1 1 7   41 20 o 27.28036 9.239175 46.60277       29.36259 0.000000       0.000000 46.60277       29.36259 ?        ?        27.28036 9.239175 ?              ?        
1 1 1 7   41 21 o 34.37604 8.957180 73.90936       30.43803 0.000000       0.000000 73.90936       30.43803 ?        ?        34.37604 8.957180 ?              ?        
1 1 1 7   41 22 o 32.27229 10.20411 69.78000       36.08972 0.000000       0.000000 69.78000       36.08972 ?        ?        32.27229 10.20411 ?              ?        
1 1 1 7   41 23 o 30.39405 9.366782 59.28198       30.61651 0.000000       0.000000 59.28198       30.61651 ?        ?        30.39405 9.366782 ?              ?        
1 1 1 7   41 24 o 31.14781 9.401197 62.71405       31.05439 0.000000       0.000000 62.71405       31.05439 ?        ?        31.14781 9.401197 ?              ?        
1 1 1 7   41 25 o 31.25657 10.67274 67.93000       39.19135 0.000000       0.000000 67.93000       39.19135 ?        ?        31.25657 10.67274 ?              ?        
1 1 1 7   41 26 o 24.45396 9.758553 33.79000       35.20523 0.000000       0.000000 33.79000       35.20523 ?        ?        24.45396 9.758553 ?              ?        
1 1 1 7   41 27 o 34.61557 10.26390 81.77000       37.26614 0.000000       0.000000 81.77000       37.26614 ?        ?        34.61557 10.26390 ?              ?        
1 1 1 7   41 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   41 29 o 21.61411 9.117967 20.41000       33.01048 0.000000       0.000000 20.41000       33.01048 ?        ?        21.61411 9.117967 ?              ?        
1 1 1 7   41 30 o 28.51103 9.154250 53.71770       28.95568 0.000000       0.000000 53.71770       28.95568 ?        ?        28.51103 9.154250 ?              ?        
1 1 1 7   41 31 o 14.50680 6.875952 -19.37211      26.13633 0.000000       0.000000 -19.37211      26.13633 ?        ?        14.50680 6.875952 ?              ?        
1 1 1 7   41 32 o 27.06345 11.45707 54.23000       52.42170 0.000000       0.000000 54.23000       52.42170 ?        ?        27.06345 11.45707 ?              ?        
1 1 1 7   42 0  o 18.51224 7.338564 14.40464       19.78180 0.3877000      40.64858 18.75449       22.64414 20.67582 9.358343 20.11598 7.889261 0.5598354      12.24006 
1 1 1 7   42 1  o 19.83259 7.477203 19.50393       19.78675 -25.80000      39.10723 35.09213       22.93967 17.74845 8.411962 24.44666 8.165680 -6.698219      11.72346 
1 1 1 7   42 2  o 21.01414 8.510292 19.38829       27.19894 -9.944000      37.62636 51.49000       39.36256 18.92450 8.729336 28.25817 10.56878 -9.333668      13.70767 
1 1 1 7   42 3  o 26.15507 8.470363 41.26342       24.75611 24.89000       40.06240 51.37771       31.48727 23.74593 10.03244 28.45790 9.567619 -4.711966      13.86324 
1 1 1 7   42 4  o 19.24035 7.251445 18.08505       18.60640 -7.126000      39.07674 25.47671       21.15893 19.52347 8.965640 21.63049 7.805072 -2.107016      11.88705 
1 1 1 7   42 5  o 42.48982 5.146760 96.10464       20.96967 47.97000       41.12500 113.0167       24.37673 27.56985 10.68326 45.82964 5.546772 -18.25979      12.03739 
1 1 1 7   42 6  o 30.97475 7.508259 56.30813       22.52457 30.06000       38.58176 69.88050       27.74346 24.35177 10.03081 33.92320 8.399932 -9.571432      13.08342 
1 1 1 7   42 7  o 20.12583 7.341466 21.11599       18.78794 3.774000       35.37510 27.92969       22.17377 20.03137 8.924183 22.38158 8.000581 -2.350210      11.98542 
1 1 1 7   42 8  o 21.68780 7.335543 26.32309       18.50912 1.283000       32.53502 38.30512       22.50601 19.09974 8.530497 25.38142 8.062140 -6.281675      11.73744 
1 1 1 7   42 9  o 28.92445 8.067023 50.29502       23.69710 0.000000       0.000000 50.29502       23.69710 ?        ?        28.92445 8.067023 ?              ?        
1 1 1 7   42 10 o 18.69750 7.178366 16.20503       18.44388 55.26000       31.28333 -4.603452      22.83469 29.44015 9.520740 15.65582 7.056831 13.78433       11.85088 
1 1 1 7   42 11 f 25.65539 7.588738 38.71053       20.39176 63.33000       28.95513 14.48442       28.72287 31.87546 8.927126 20.34590 8.539464 11.52956       12.35379 
1 1 1 7   42 12 o 43.17271 6.332266 103.1867       25.96427 0.000000       0.000000 103.1867       25.96427 ?        ?        43.17271 6.332266 ?              ?        
1 1 1 7   42 13 o 54.97136 4.577646 157.8958       24.40782 0.000000       0.000000 157.8958       24.40782 ?        ?        54.97136 4.577646 ?              ?        
1 1 1 7   42 14 o 52.98390 4.739086 147.4188       24.31866 0.000000       0.000000 147.4188       24.31866 ?        ?        52.98390 4.739086 ?              ?        
1 1 1 7   42 15 o 14.28545 6.339367 -1.894715      17.67369 0.000000       0.000000 -1.894715      17.67369 ?        ?        14.28545 6.339367 ?              ?        
1 1 1 7   42 16 o 21.85468 7.520061 26.93470       19.46683 0.000000       0.000000 26.93470       19.46683 ?        ?        21.85468 7.520061 ?              ?        
1 1 1 7   42 17 f 36.77451 6.437155 75.77182       22.32743 0.000000       0.000000 75.77182       22.32743 ?        ?        36.77451 6.437155 ?              ?        
1 1 1 7   42 18 o 20.25294 6.436997 22.81161       14.34530 0.000000       0.000000 22.81161       14.34530 ?        ?        20.25294 6.436997 ?              ?        
1 1 1 7   42 19 o 25.75848 9.150376 40.75907       28.96151 0.000000       0.000000 40.75907       28.96151 ?        ?        25.75848 9.150376 ?              ?        
1 1 1 7   42 20 o 15.70820 7.350029 -16.29778      28.18899 0.000000       0.000000 -16.29778      28.18899 ?        ?        15.70820 7.350029 ?              ?        
1 1 1 7   42 21 o 22.21530 8.858479 25.15204       28.98861 0.000000       0.000000 25.15204       28.98861 ?        ?        22.21530 8.858479 ?              ?        
1 1 1 7   42 22 o 26.32678 10.03275 43.84000       35.85245 0.000000       0.000000 43.84000       35.85245 ?        ?        26.32678 10.03275 ?              ?        
1 1 1 7   42 23 o 34.56931 10.43436 82.41000       38.25437 0.000000       0.000000 82.41000       38.25437 ?        ?        34.56931 10.43436 ?              ?        
1 1 1 7   42 24 o 31.41517 10.16277 67.29000       35.64301 0.000000       0.000000 67.29000       35.64301 ?        ?        31.41517 10.16277 ?              ?        
1 1 1 7   42 25 o 43.92286 9.679712 125.8000       40.49214 0.000000       0.000000 125.8000       40.49214 ?        ?        43.92286 9.679712 ?              ?        
1 1 1 7   42 26 o 20.40911 8.595394 16.56437       29.25731 0.000000       0.000000 16.56437       29.25731 ?        ?        20.40911 8.595394 ?              ?        
1 1 1 7   42 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 7   42 28 o 26.87643 9.234277 48.05968       29.35002 0.000000       0.000000 48.05968       29.35002 ?        ?        26.87643 9.234277 ?              ?        
1 1 1 7   42 29 f 16.94361 7.629416 -0.5167058     26.61198 0.000000       0.000000 -0.5167058     26.61198 ?        ?        16.94361 7.629416 ?              ?        
1 1 1 7   43 0  o 22.74607 7.723751 29.65786       20.52141 4.390000       37.98056 40.07598       24.38776 20.54829 9.194313 25.75089 8.411999 -5.202593      12.46183 
1 1 1 7   43 1  o 37.71916 5.726408 77.53812       20.47869 65.95000       40.87181 81.42245       23.66329 30.91238 10.88045 38.07171 6.588304 -7.159332      12.71967 
1 1 1 7   43 2  o 29.84804 8.236099 54.25532       24.84640 38.07000       38.93378 65.37604       32.27246 25.61455 10.24866 31.74976 9.584001 -6.135202      14.03168 
1 1 1 7   43 3  o 35.61943 5.829912 69.57430       19.62362 62.57000       39.19158 71.91793       22.67015 30.29478 10.65517 35.60283 6.752245 -5.308041      12.61449 
1 1 1 7   43 4  o 20.07998 7.254246 21.37730       18.28454 23.67000       34.75314 20.49975       21.50094 22.75319 9.459679 20.26882 7.758320 2.484379       12.23426 
1 1 1 7   43 5  o 23.18554 8.735685 30.13126       26.99813 -26.35000      35.38674 108.8000       41.76279 16.69014 7.936717 40.20640 10.49970 -23.51626      13.16189 
1 1 1 7   43 6  o 38.80899 5.688528 82.05157       20.96787 105.6000       40.35762 73.34480       24.53993 39.81944 10.28312 35.53230 7.300116 4.287136       12.61088 
1 1 1 7   43 7  o 24.52746 7.322997 35.25766       18.91853 11.59000       34.57703 45.37025       22.60171 20.82346 9.064679 27.41687 7.956595 -6.593412      12.06134 
1 1 1 7   43 8  o 29.65880 6.939555 50.81005       19.78646 15.68000       34.21766 68.45764       24.25234 21.37932 9.159845 34.18032 7.458948 -12.80100      11.81265 
1 1 1 7   43 9  o 13.94992 6.511940 -14.08051      21.91358 0.000000       0.000000 -14.08051      21.91358 ?        ?        13.94992 6.511940 ?              ?        
1 1 1 7   43 10 o 28.72221 8.202990 50.39189       24.20532 0.000000       0.000000 50.39189       24.20532 ?        ?        28.72221 8.202990 ?              ?        
1 1 1 7   43 11 o 43.99718 5.893158 105.9913       24.74162 0.000000       0.000000 105.9913       24.74162 ?        ?        43.99718 5.893158 ?              ?        
1 1 1 7   43 12 o 32.15578 7.110404 60.02324       21.78500 0.000000       0.000000 60.02324       21.78500 ?        ?        32.15578 7.110404 ?              ?        
1 1 1 7   43 13 o 11.51523 5.540299 -22.72125      18.36817 0.000000       0.000000 -22.72125      18.36817 ?        ?        11.51523 5.540299 ?              ?        
1 1 1 7   43 14 o 19.02396 7.698985 14.92532       22.24278 0.000000       0.000000 14.92532       22.24278 ?        ?        19.02396 7.698985 ?              ?        
1 1 1 7   43 15 o 50.36091 4.328327 132.0746       21.12957 0.000000       0.000000 132.0746       21.12957 ?        ?        50.36091 4.328327 ?              ?        
1 1 1 7   43 16 f 11.56697 5.466107 -14.95546      16.28415 0.000000       0.000000 -14.95546      16.28415 ?        ?        11.56697 5.466107 ?              ?        
1 1 1 7   43 17 o 20.78615 7.697916 23.16143       20.78389 0.000000       0.000000 23.16143       20.78389 ?        ?        20.78615 7.697916 ?              ?        
1 1 1 7   43 18 o 29.58234 6.664015 50.33052       18.83162 0.000000       0.000000 50.33052       18.83162 ?        ?        29.58234 6.664015 ?              ?        
1 1 1 7   43 19 o 15.15818 7.161374 -19.90270      27.91866 0.000000       0.000000 -19.90270      27.91866 ?        ?        15.15818 7.161374 ?              ?        
1 1 1 7   43 20 o 32.99833 8.981519 69.56227       29.78037 0.000000       0.000000 69.56227       29.78037 ?        ?        32.99833 8.981519 ?              ?        
1 1 1 7   43 21 o 26.52053 9.237142 44.94823       29.40960 0.000000       0.000000 44.94823       29.40960 ?        ?        26.52053 9.237142 ?              ?        
1 1 1 7   43 22 o 30.11041 9.189327 59.45559       29.55797 0.000000       0.000000 59.45559       29.55797 ?        ?        30.11041 9.189327 ?              ?        
1 1 1 7   43 23 o 21.58130 9.127762 20.38000       33.22179 0.000000       0.000000 20.38000       33.22179 ?        ?        21.58130 9.127762 ?              ?        
1 1 1 7   43 24 o 18.49362 8.044098 8.173841       27.18411 0.000000       0.000000 8.173841       27.18411 ?        ?        18.49362 8.044098 ?              ?        
1 1 1 7   43 25 o 20.34821 9.610929 -11.37000      50.22530 0.000000       0.000000 -11.37000      50.22530 ?        ?        20.34821 9.610929 ?              ?        
1 1 1 7   43 26 o 33.17362 9.067948 73.32424       30.28074 0.000000       0.000000 73.32424       30.28074 ?        ?        33.17362 9.067948 ?              ?        
1 1 1 7   43 27 f 27.64455 9.103996 51.73424       28.54090 0.000000       0.000000 51.73424       28.54090 ?        ?        27.64455 9.103996 ?              ?        
1 1 1 7   44 0  o 29.77033 8.255675 54.54367       24.89569 55.44000       38.98858 53.92663       32.34928 28.60914 10.55262 28.66810 9.697761 -0.5895615E-01 14.33193 
1 1 1 7   44 1  f 17.51847 7.944789 -3.876868      29.46933 16.16000       37.39114 -36.73000      47.87868 21.82775 9.464692 18.56672 8.935990 3.261028       13.01662 
1 1 1 7   44 2  o 36.20293 5.808605 72.07568       19.88772 19.53000       38.95187 90.60332       23.12969 22.51963 9.712205 40.50868 6.015728 -17.98905      11.42436 
1 1 1 7   44 3  o 15.64022 6.649580 4.895548       17.78707 -3.297000      36.82624 7.388314       20.31368 19.26377 8.792517 16.91562 7.145132 2.348158       11.32966 
1 1 1 7   44 4  o 14.56443 6.448193 -1.106905      18.18139 50.04000       37.50035 -16.82418      20.78807 27.57920 10.31556 13.15675 6.204786 14.42245       12.03787 
1 1 1 7   44 5  o 33.46925 6.301331 62.93973       19.88630 36.73000       36.94421 73.63183       23.59645 25.05530 9.997279 35.75642 6.992599 -10.70112      12.20008 
1 1 1 7   44 6  o 26.43475 7.203096 41.14317       19.14187 7.844000       34.12607 56.42948       23.12176 20.12411 8.875285 30.68847 7.708550 -10.56435      11.75553 
1 1 1 7   44 7  o 21.74857 7.430816 26.92492       18.99875 9.715000       33.60865 35.00721       23.03186 20.28245 8.880760 24.19526 8.182841 -3.912807      12.07588 
1 1 1 7   44 8  o 27.87640 8.799407 48.97117       26.84764 33.98000       33.46177 76.06000       44.98069 24.31398 9.573781 32.17833 11.40629 -7.864347      14.89164 
1 1 1 7   44 9  o 38.30937 5.434653 79.56955       19.80773 53.29000       32.29803 95.41222       25.07734 28.49366 9.689553 41.26069 6.417805 -12.76703      11.62221 
1 1 1 7   44 10 o 25.91110 8.907809 41.75980       27.31263 0.000000       0.000000 41.75980       27.31263 ?        ?        25.91110 8.907809 ?              ?        
1 1 1 7   44 11 o 18.76723 7.850451 12.04125       24.15070 0.000000       0.000000 12.04125       24.15070 ?        ?        18.76723 7.850451 ?              ?        
1 1 1 7   44 12 o 51.69479 4.604985 140.5135       23.05770 0.000000       0.000000 140.5135       23.05770 ?        ?        51.69479 4.604985 ?              ?        
1 1 1 7   44 13 o 23.13164 8.238150 31.46961       23.48868 0.000000       0.000000 31.46961       23.48868 ?        ?        23.13164 8.238150 ?              ?        
1 1 1 7   44 14 o 19.12119 7.182650 18.59263       18.22185 0.000000       0.000000 18.59263       18.22185 ?        ?        19.12119 7.182650 ?              ?        
1 1 1 7   44 15 o 15.01764 6.483995 2.826994       17.39904 0.000000       0.000000 2.826994       17.39904 ?        ?        15.01764 6.483995 ?              ?        
1 1 1 7   44 16 o 28.50339 6.435884 46.49652       17.52967 0.000000       0.000000 46.49652       17.52967 ?        ?        28.50339 6.435884 ?              ?        
1 1 1 7   44 17 o 23.98830 6.627678 33.36532       16.07801 0.000000       0.000000 33.36532       16.07801 ?        ?        23.98830 6.627678 ?              ?        
1 1 1 7   44 18 o 22.41390 8.807711 27.75147       28.27079 0.000000       0.000000 27.75147       28.27079 ?        ?        22.41390 8.807711 ?              ?        
1 1 1 7   44 19 o 15.31422 7.143229 -13.18271      26.28526 0.000000       0.000000 -13.18271      26.28526 ?        ?        15.31422 7.143229 ?              ?        
1 1 1 7   44 20 o 15.38276 7.200117 -14.33107      27.08789 0.000000       0.000000 -14.33107      27.08789 ?        ?        15.38276 7.200117 ?              ?        
1 1 1 7   44 21 o 22.94815 9.259744 30.03000       32.06926 0.000000       0.000000 30.03000       32.06926 ?        ?        22.94815 9.259744 ?              ?        
1 1 1 7   44 22 o 20.71870 8.477556 21.25329       27.32354 0.000000       0.000000 21.25329       27.32354 ?        ?        20.71870 8.477556 ?              ?        
1 1 1 7   44 23 o 23.58969 10.57866 26.33000       50.58228 0.000000       0.000000 26.33000       50.58228 ?        ?        23.58969 10.57866 ?              ?        
1 1 1 7   44 24 o 14.96658 7.076095 -17.44937      27.35200 0.000000       0.000000 -17.44937      27.35200 ?        ?        14.96658 7.076095 ?              ?        
1 1 1 7   45 0  o 30.92059 9.850109 64.54368       33.57526 0.000000       0.000000 64.54368       33.57526 ?        ?        30.92059 9.850109 ?              ?        
1 1 1 7   45 1  o 32.45047 6.407350 59.78416       19.62939 22.58000       40.73732 71.03441       22.40153 22.99872 9.925643 35.18988 6.749063 -12.19116      12.00284 
1 1 1 7   45 2  f 41.50492 5.897761 95.08209       23.28665 132.2000       43.63319 80.29945       27.53602 44.38805 10.24963 36.46003 7.941109 7.928020       12.96596 
1 1 1 7   45 3  o 33.98161 6.118236 64.71588       19.60225 86.93000       38.75887 57.08106       22.72249 35.28006 10.46908 30.83609 7.582095 4.443977       12.92632 
1 1 1 7   45 4  o 44.92277 4.824803 107.2720       20.88335 52.51000       38.57608 129.9740       24.83766 27.77430 10.44698 49.14567 5.244131 -21.37138      11.68933 
1 1 1 7   45 5  o 18.36733 7.127849 15.88074       18.32753 6.692000       34.17765 19.58950       21.71345 19.81609 8.803411 19.87626 7.745721 -0.6017494E-01 11.72588 
1 1 1 7   45 6  o 46.04034 4.759093 112.4539       21.13832 72.93000       38.04765 130.1003       25.42293 32.10489 10.50815 49.03630 5.385164 -16.93142      11.80768 
1 1 1 7   45 7  o 19.22783 7.243478 18.91301       18.56090 21.72000       31.86892 17.47210       22.83315 21.71927 9.046571 19.54816 7.839274 2.171112       11.97058 
1 1 1 7   45 8  o 28.42737 8.195890 50.26347       24.05430 0.000000       0.000000 50.26347       24.05430 ?        ?        28.42737 8.195890 ?              ?        
1 1 1 7   45 9  o 17.15576 7.254738 8.199082       20.98042 0.000000       0.000000 8.199082       20.98042 ?        ?        17.15576 7.254738 ?              ?        
1 1 1 7   45 10 o 24.58288 8.287787 37.02020       23.62621 0.000000       0.000000 37.02020       23.62621 ?        ?        24.58288 8.287787 ?              ?        
1 1 1 7   45 11 o 23.05307 8.647823 30.97579       26.39497 0.000000       0.000000 30.97579       26.39497 ?        ?        23.05307 8.647823 ?              ?        
1 1 1 7   45 12 o 33.15943 7.343905 65.22852       23.20744 0.000000       0.000000 65.22852       23.20744 ?        ?        33.15943 7.343905 ?              ?        
1 1 1 7   45 13 o 24.93789 7.287309 37.27070       18.90102 0.000000       0.000000 37.27070       18.90102 ?        ?        24.93789 7.287309 ?              ?        
1 1 1 7   45 14 o 10.11704 4.968506 -29.84128      16.97876 0.000000       0.000000 -29.84128      16.97876 ?        ?        10.11704 4.968506 ?              ?        
1 1 1 7   45 15 o 26.67686 6.926668 42.18127       18.24474 0.000000       0.000000 42.18127       18.24474 ?        ?        26.67686 6.926668 ?              ?        
1 1 1 7   45 16 o 21.14217 6.969833 25.99853       16.72662 0.000000       0.000000 25.99853       16.72662 ?        ?        21.14217 6.969833 ?              ?        
1 1 1 7   45 17 o 25.63203 8.953934 42.88097       27.64521 0.000000       0.000000 42.88097       27.64521 ?        ?        25.63203 8.953934 ?              ?        
1 1 1 7   45 18 f 28.54750 9.018872 54.62289       28.19807 0.000000       0.000000 54.62289       28.19807 ?        ?        28.54750 9.018872 ?              ?        
1 1 1 7   45 19 o 16.87509 7.658444 -1.735405      27.44267 0.000000       0.000000 -1.735405      27.44267 ?        ?        16.87509 7.658444 ?              ?        
1 1 1 7   45 20 o 18.79505 8.476357 4.062000       32.99593 0.000000       0.000000 4.062000       32.99593 ?        ?        18.79505 8.476357 ?              ?        
1 1 1 7   45 21 o 38.14622 12.75238 131.7000       55.94629 0.000000       0.000000 131.7000       55.94629 ?        ?        38.14622 12.75238 ?              ?        
1 1 1 7   46 0  o 22.79773 7.331022 30.78962       18.56527 7.155000       38.05681 38.17069       21.26756 20.43883 9.169971 24.98334 7.824265 -4.544516      12.05436 
1 1 1 7   46 1  o 20.59533 7.854972 22.68887       21.98837 0.000000       0.000000 22.68887       21.98837 ?        ?        20.59533 7.854972 ?              ?        
1 1 1 7   46 2  f 42.49537 5.115763 97.38075       20.85184 70.09000       38.62949 108.6022       24.77057 31.14231 10.59671 44.29704 5.856200 -13.15473      12.10724 
1 1 1 7   46 3  o 24.38268 7.798589 36.26215       21.02944 2.361000       35.00257 55.41087       26.30648 19.28170 8.709866 29.41089 8.597955 -10.12919      12.23873 
1 1 1 7   46 4  o 21.08240 7.351284 25.51764       18.62973 25.34000       34.68142 25.58969       22.08686 22.48033 9.405902 21.31224 7.927483 1.168095       12.30106 
1 1 1 7   46 5  o 22.64948 7.351190 30.50476       18.64040 15.78000       33.75786 36.96373       22.35797 20.84289 9.015442 24.47036 8.057719 -3.627466      12.09153 
1 1 1 7   46 6  o 50.03637 4.340897 131.5444       21.05026 97.28000       36.52772 148.5818       25.75739 37.89154 9.781892 52.56141 5.069252 -14.66987      11.01738 
1 1 1 7   46 7  o 24.43098 7.895349 36.76306       21.51596 0.000000       0.000000 36.76306       21.51596 ?        ?        24.43098 7.895349 ?              ?        
1 1 1 7   46 8  o 21.19375 7.840605 25.52799       21.55139 0.000000       0.000000 25.52799       21.55139 ?        ?        21.19375 7.840605 ?              ?        
1 1 1 7   46 9  f 18.95030 7.387208 17.78138       19.75492 0.000000       0.000000 17.78138       19.75492 ?        ?        18.95030 7.387208 ?              ?        
1 1 1 7   46 10 o 35.52638 7.545059 76.33079       25.42615 0.000000       0.000000 76.33079       25.42615 ?        ?        35.52638 7.545059 ?              ?        
1 1 1 7   46 11 o 16.29675 7.202755 2.194837       22.59118 0.000000       0.000000 2.194837       22.59118 ?        ?        16.29675 7.202755 ?              ?        
1 1 1 7   46 12 o 22.92683 7.737387 32.11213       20.59230 0.000000       0.000000 32.11213       20.59230 ?        ?        22.92683 7.737387 ?              ?        
1 1 1 7   46 13 o 13.84534 6.209914 -2.383567      17.43856 0.000000       0.000000 -2.383567      17.43856 ?        ?        13.84534 6.209914 ?              ?        
1 1 1 7   46 14 o 23.63004 7.552521 34.49283       19.72596 0.000000       0.000000 34.49283       19.72596 ?        ?        23.63004 7.552521 ?              ?        
1 1 1 7   46 15 o 27.09361 8.954633 49.79000       27.60370 0.000000       0.000000 49.79000       27.60370 ?        ?        27.09361 8.954633 ?              ?        
1 1 1 7   46 16 o 18.29348 7.932885 9.792001       26.27203 0.000000       0.000000 9.792001       26.27203 ?        ?        18.29348 7.932885 ?              ?        
1 1 1 7   46 17 o 26.78988 11.38484 57.18000       52.09957 0.000000       0.000000 57.18000       52.09957 ?        ?        26.78988 11.38484 ?              ?        
1 1 1 7   47 0  o 44.03659 4.939695 104.8390       20.92558 103.7000       39.97112 105.2690       24.56011 37.75498 10.45729 43.23907 5.961407 -5.484089      12.03716 
1 1 1 7   47 1  f 16.85206 6.912439 10.97946       18.22238 21.96000       35.14785 6.943058       21.31003 21.61860 9.273346 16.74041 7.201343 4.878197       11.74114 
1 1 1 7   47 2  o 27.05763 7.991341 46.56956       22.62695 0.000000       0.000000 46.56956       22.62695 ?        ?        27.05763 7.991341 ?              ?        
1 1 1 7   47 3  o 16.97371 6.966957 11.23395       18.52663 27.23000       35.00814 5.011332       21.83479 22.40515 9.417160 16.50474 7.193736 5.900408       11.85043 
1 1 1 7   47 4  o 11.59521 5.568058 -20.41418      18.34859 -34.99000      30.73184 -12.34005      22.87282 14.30278 6.949532 14.19023 6.633569 0.1125526      9.607301 
1 1 1 7   47 5  o 37.63100 6.716516 82.93919       23.83207 0.000000       0.000000 82.93919       23.83207 ?        ?        37.63100 6.716516 ?              ?        
1 1 1 7   47 6  o 38.21444 6.265391 83.82497       22.62447 0.000000       0.000000 83.82497       22.62447 ?        ?        38.21444 6.265391 ?              ?        
1 1 1 7   47 7  o 13.55669 6.196420 -5.783817      18.37441 0.000000       0.000000 -5.783817      18.37441 ?        ?        13.55669 6.196420 ?              ?        
1 1 1 7   47 8  o 21.92311 8.345966 29.02773       24.79420 0.000000       0.000000 29.02773       24.79420 ?        ?        21.92311 8.345966 ?              ?        
1 1 1 7   47 9  o 17.06780 7.033077 11.54341       18.97648 0.000000       0.000000 11.54341       18.97648 ?        ?        17.06780 7.033077 ?              ?        
1 1 1 7   47 10 o 15.42791 6.716042 3.784627       18.98121 0.000000       0.000000 3.784627       18.98121 ?        ?        15.42791 6.716042 ?              ?        
1 1 1 7   47 11 o 27.96791 8.951538 53.59649       27.70345 0.000000       0.000000 53.59649       27.70345 ?        ?        27.96791 8.951538 ?              ?        
1 1 1 7   47 12 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  0  o 556.7877 14.75048 15279.77       802.6247 15279.77       802.6247 15279.77       802.6247 556.7877 14.75048 556.7877 14.75048 0.000000       0.000000 
1 1 1 8   0  1  o 512.7756 13.60779 12949.02       681.9138 12949.02       681.9138 12949.02       681.9138 512.7756 13.60779 512.7756 13.60779 0.000000       0.000000 
1 1 1 8   0  2  o 531.1243 14.08062 13893.65       730.8590 13893.65       730.8590 13893.65       730.8590 531.1243 14.08062 531.1243 14.08062 0.000000       0.000000 
1 1 1 8   0  3  f 159.7727 4.908296 1253.480       76.59669 1253.480       76.59669 1253.480       76.59669 159.7727 4.908296 159.7727 4.908296 0.000000       0.000000 
1 1 1 8   0  4  o 778.0284 20.53255 29918.57       1561.206 29918.57       1561.206 29918.57       1561.206 778.0284 20.53255 778.0284 20.53255 0.000000       0.000000 
1 1 1 8   0  5  o 212.4857 6.097096 2216.537       126.5754 2216.537       126.5754 2216.537       126.5754 212.4857 6.097096 212.4857 6.097096 0.000000       0.000000 
1 1 1 8   0  6  o 566.4730 14.97618 15790.60       829.0867 15790.60       829.0867 15790.60       829.0867 566.4730 14.97618 566.4730 14.97618 0.000000       0.000000 
1 1 1 8   0  7  o 20.56437 9.106010 29.83000       19.30642 29.83000       19.30642 29.83000       19.30642 20.56437 9.106010 20.56437 9.106010 0.000000       0.000000 
1 1 1 8   0  8  o 820.6342 30.82307 33490.00       2467.951 33490.00       2467.951 33490.00       2467.951 820.6342 30.82307 820.6342 30.82307 0.000000       0.000000 
1 1 1 8   0  9  o 536.9526 20.21704 14240.00       1059.151 14240.00       1059.151 14240.00       1059.151 536.9526 20.21704 536.9526 20.21704 0.000000       0.000000 
1 1 1 8   0  10 o 84.78034 5.361923 356.1000       44.08307 356.1000       44.08307 356.1000       44.08307 84.78034 5.361923 84.78034 5.361923 0.000000       0.000000 
1 1 1 8   0  11 o 92.31319 3.912675 419.3871       35.20961 419.3871       35.20961 419.3871       35.20961 92.31319 3.912675 92.31319 3.912675 0.000000       0.000000 
1 1 1 8   0  12 o 313.3018 8.574321 4819.290       262.5021 4819.290       262.5021 4819.290       262.5021 313.3018 8.574321 313.3018 8.574321 0.000000       0.000000 
1 1 1 8   0  13 o 122.1887 4.442978 733.7839       52.97913 733.7839       52.97913 733.7839       52.97913 122.1887 4.442978 122.1887 4.442978 0.000000       0.000000 
1 1 1 8   0  14 o 237.3707 9.695465 2775.000       224.4132 2775.000       224.4132 2775.000       224.4132 237.3707 9.695465 237.3707 9.695465 0.000000       0.000000 
1 1 1 8   0  15 o 97.47810 6.497390 471.5000       61.35279 471.5000       61.35279 471.5000       61.35279 97.47810 6.497390 97.47810 6.497390 0.000000       0.000000 
1 1 1 8   0  16 o 534.1526 14.21718 14040.64       742.1456 14040.64       742.1456 14040.64       742.1456 534.1526 14.21718 534.1526 14.21718 0.000000       0.000000 
1 1 1 8   0  17 o 448.3019 11.99226 9884.147       525.3817 9884.147       525.3817 9884.147       525.3817 448.3019 11.99226 448.3019 11.99226 0.000000       0.000000 
1 1 1 8   0  18 o 54.45150 5.374929 149.3924       27.96095 149.3924       27.96095 149.3924       27.96095 54.45150 5.374929 54.45150 5.374929 0.000000       0.000000 
1 1 1 8   0  19 o 470.4177 12.58711 10896.03       578.6456 10896.03       578.6456 10896.03       578.6456 470.4177 12.58711 470.4177 12.58711 0.000000       0.000000 
1 1 1 8   0  20 o 188.5673 5.774898 1746.770       106.3636 1746.770       106.3636 1746.770       106.3636 188.5673 5.774898 188.5673 5.774898 0.000000       0.000000 
1 1 1 8   0  21 o 46.74192 5.792904 111.8646       25.40936 111.8646       25.40936 111.8646       25.40936 46.74192 5.792904 46.74192 5.792904 0.000000       0.000000 
1 1 1 8   0  22 o 38.86344 6.932039 80.70499       23.87190 80.70499       23.87190 80.70499       23.87190 38.86344 6.932039 38.86344 6.932039 0.000000       0.000000 
1 1 1 8   0  23 f 126.9759 4.631043 792.8691       57.38413 792.8691       57.38413 792.8691       57.38413 126.9759 4.631043 126.9759 4.631043 0.000000       0.000000 
1 1 1 8   0  24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  26 o 141.2398 7.095491 986.1000       97.52713 986.1000       97.52713 986.1000       97.52713 141.2398 7.095491 141.2398 7.095491 0.000000       0.000000 
1 1 1 8   0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  29 o 177.6162 5.647059 1551.689       97.95238 1551.689       97.95238 1551.689       97.95238 177.6162 5.647059 177.6162 5.647059 0.000000       0.000000 
1 1 1 8   0  30 o 260.6316 7.412865 3344.938       188.7661 3344.938       188.7661 3344.938       188.7661 260.6316 7.412865 260.6316 7.412865 0.000000       0.000000 
1 1 1 8   0  31 o 124.4923 4.707496 763.0395       57.17741 763.0395       57.17741 763.0395       57.17741 124.4923 4.707496 124.4923 4.707496 0.000000       0.000000 
1 1 1 8   0  32 o 48.41179 5.920268 120.0753       26.93402 120.0753       26.93402 120.0753       26.93402 48.41179 5.920268 48.41179 5.920268 0.000000       0.000000 
1 1 1 8   0  33 f 67.13708 4.930524 224.6740       31.99089 224.6740       31.99089 224.6740       31.99089 67.13708 4.930524 67.13708 4.930524 0.000000       0.000000 
1 1 1 8   0  34 o 30.80831 11.24143 62.47000       31.22245 62.47000       31.22245 62.47000       31.22245 30.80831 11.24143 30.80831 11.24143 0.000000       0.000000 
1 1 1 8   0  35 o 67.34121 6.564490 229.5000       42.26171 229.5000       42.26171 229.5000       42.26171 67.34121 6.564490 67.34121 6.564490 0.000000       0.000000 
1 1 1 8   0  36 o 14.70537 8.858137 10.74991       23.14835 10.74991       23.14835 10.74991       23.14835 14.70537 8.858137 14.70537 8.858137 0.000000       0.000000 
1 1 1 8   0  37 o 74.79552 7.883895 286.0000       56.11189 286.0000       56.11189 286.0000       56.11189 74.79552 7.883895 74.79552 7.883895 0.000000       0.000000 
1 1 1 8   0  38 f 13.28585 8.402760 3.785454       23.41416 3.785454       23.41416 3.785454       23.41416 13.28585 8.402760 13.28585 8.402760 0.000000       0.000000 
1 1 1 8   0  39 o 25.19981 10.59043 44.84465       26.26686 44.84465       26.26686 44.84465       26.26686 25.19981 10.59043 25.19981 10.59043 0.000000       0.000000 
1 1 1 8   0  40 o 130.4305 4.979940 842.3090       63.36758 842.3090       63.36758 842.3090       63.36758 130.4305 4.979940 130.4305 4.979940 0.000000       0.000000 
1 1 1 8   0  41 o 40.41442 7.987793 90.01025       28.09319 90.01025       28.09319 90.01025       28.09319 40.41442 7.987793 40.41442 7.987793 0.000000       0.000000 
1 1 1 8   0  42 o 79.61919 5.072182 316.8179       39.15680 316.8179       39.15680 316.8179       39.15680 79.61919 5.072182 79.61919 5.072182 0.000000       0.000000 
1 1 1 8   0  43 o 70.87106 5.274376 252.4634       36.11205 252.4634       36.11205 252.4634       36.11205 70.87106 5.274376 70.87106 5.274376 0.000000       0.000000 
1 1 1 8   0  44 o 108.7427 4.982399 588.3796       52.77850 588.3796       52.77850 588.3796       52.77850 108.7427 4.982399 108.7427 4.982399 0.000000       0.000000 
1 1 1 8   0  45 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   0  46 o 77.13729 5.212558 299.4731       38.93795 299.4731       38.93795 299.4731       38.93795 77.13729 5.212558 77.13729 5.212558 0.000000       0.000000 
1 1 1 8   0  47 o 20.99076 10.38797 33.84232       25.66143 33.84232       25.66143 33.84232       25.66143 20.99076 10.38797 20.99076 10.38797 0.000000       0.000000 
1 1 1 8   0  48 o 68.17239 5.330982 235.8263       35.05883 235.8263       35.05883 235.8263       35.05883 68.17239 5.330982 68.17239 5.330982 0.000000       0.000000 
1 1 1 8   0  49 o 15.22837 9.282056 12.29062       26.05610 12.29062       26.05610 12.29062       26.05610 15.22837 9.282056 15.22837 9.282056 0.000000       0.000000 
1 1 1 8   0  50 o 46.43795 8.690467 120.8000       35.45203 120.8000       35.45203 120.8000       35.45203 46.43795 8.690467 46.43795 8.690467 0.000000       0.000000 
1 1 1 8   0  51 o 14.38212 9.170134 5.456000       28.55353 5.456000       28.55353 5.456000       28.55353 14.38212 9.170134 14.38212 9.170134 0.000000       0.000000 
1 1 1 8   0  52 o 57.30809 12.17780 196.4000       60.05495 196.4000       60.05495 196.4000       60.05495 57.30809 12.17780 57.30809 12.17780 0.000000       0.000000 
1 1 1 8   0  53 o 54.26217 6.088637 154.0564       31.29427 154.0564       31.29427 154.0564       31.29427 54.26217 6.088637 54.26217 6.088637 0.000000       0.000000 
1 1 1 8   0  54 o 33.86921 9.165138 70.51926       26.25772 70.51926       26.25772 70.51926       26.25772 33.86921 9.165138 33.86921 9.165138 0.000000       0.000000 
1 1 1 8   0  55 o 16.64513 9.518264 20.21717       24.45389 20.21717       24.45389 20.21717       24.45389 16.64513 9.518264 16.64513 9.518264 0.000000       0.000000 
1 1 1 8   0  56 o 47.17728 8.434751 125.2000       35.24553 125.2000       35.24553 125.2000       35.24553 47.17728 8.434751 47.17728 8.434751 0.000000       0.000000 
1 1 1 8   0  57 o 34.91190 9.139417 74.43230       26.98406 74.43230       26.98406 74.43230       26.98406 34.91190 9.139417 34.91190 9.139417 0.000000       0.000000 
1 1 1 8   0  58 o 9.999504 6.918921 -16.23865      23.12909 -16.23865      23.12909 -16.23865      23.12909 9.999504 6.918921 9.999504 6.918921 0.000000       0.000000 
1 1 1 8   0  59 o 33.07253 9.815539 70.09978       27.64070 70.09978       27.64070 70.09978       27.64070 33.07253 9.815539 33.07253 9.815539 0.000000       0.000000 
1 1 1 8   0  60 o 29.45248 10.47939 60.42696       27.52406 60.42696       27.52406 60.42696       27.52406 29.45248 10.47939 29.45248 10.47939 0.000000       0.000000 
1 1 1 8   0  61 o 13.63167 8.629143 7.091583       24.75522 7.091583       24.75522 7.091583       24.75522 13.63167 8.629143 13.63167 8.629143 0.000000       0.000000 
1 1 1 8   1  0  o 207.0529 4.200336 2099.825       85.12785 2095.539       120.3601 2104.115       120.4178 206.6735 5.955864 207.0971 5.946486 -0.4235992     8.416235 
1 1 1 8   1  1  o 443.9525 9.655810 9685.591       419.5961 8530.000       664.2769 10452.76       541.2420 414.7242 16.39609 460.5304 12.01706 -45.80621      20.32834 
1 1 1 8   1  2  o 447.0761 8.393584 9811.279       367.3120 9852.206       521.1840 9770.891       517.7482 447.1805 11.91762 445.3372 11.88809 1.843231       16.83319 
1 1 1 8   1  3  o 302.0021 5.813417 4469.680       171.8493 4479.298       243.4692 4460.131       242.5964 302.0117 8.243666 301.3658 8.231730 0.6458435      11.64987 
1 1 1 8   1  4  o 531.8707 9.926955 13894.59       516.8069 13871.05       730.0704 13918.23       731.6831 530.2786 14.07793 531.1782 14.08510 -0.8995972     19.91427 
1 1 1 8   1  5  o 230.9984 4.600797 2613.346       104.0275 2561.474       145.3256 2667.858       148.9766 228.5227 6.503519 233.2215 6.532376 -4.698807      9.217793 
1 1 1 8   1  6  o 261.1506 5.902575 3341.236       150.8824 3427.000       265.4990 3300.324       183.3717 264.0041 10.29388 259.3795 7.229597 4.624512       12.57899 
1 1 1 8   1  7  o 222.0205 5.144839 2414.185       111.8075 2382.000       191.6906 2430.780       137.6470 220.2005 8.911987 222.6526 6.322262 -2.452179      10.92678 
1 1 1 8   1  8  o 480.4221 12.75624 11349.79       599.3322 11310.00       845.3437 11390.00       849.8416 478.4353 18.08366 480.1187 18.11603 -1.683319      25.59705 
1 1 1 8   1  9  o 127.6273 4.306952 798.4579       53.72759 803.5000       75.92251 793.4000       76.04220 127.9300 6.080466 127.1183 6.129459 0.8116684      8.633790 
1 1 1 8   1  10 o 522.9802 11.28523 13427.18       577.6991 13633.88       715.4739 13040.00       979.2243 526.3914 13.89821 513.4540 19.51938 12.93738       23.96177 
1 1 1 8   1  11 o 200.8618 4.791584 1975.689       94.20690 1955.105       114.8591 2018.000       164.6734 199.6975 5.882474 202.7154 8.316753 -3.017914      10.18685 
1 1 1 8   1  12 o 241.9633 4.828089 2867.052       114.3487 2826.882       160.4228 2908.542       163.0357 240.0933 6.833163 243.5383 6.846057 -3.444931      9.672673 
1 1 1 8   1  13 o 216.8705 5.133723 2303.474       108.9781 2323.810       134.1433 2264.000       186.8943 217.6960 6.301874 214.6683 8.913902 3.027710       10.91656 
1 1 1 8   1  14 o 74.80627 3.631213 274.6219       26.50920 301.8538       32.56209 221.1000       45.64988 78.39889 4.259221 66.79234 7.090637 11.60655       8.271523 
1 1 1 8   1  15 o 175.3959 4.453927 1507.496       76.40422 1521.000       135.1332 1501.150       92.63169 175.9496 7.866237 174.9740 5.415056 0.9756165      9.549895 
1 1 1 8   1  16 o 194.2426 4.767123 1847.981       90.63731 1743.000       153.6322 1904.027       112.2540 188.3115 8.355681 197.0431 5.826554 -8.731613      10.18657 
1 1 1 8   1  17 o 50.11811 4.683240 124.1075       22.70854 89.94000       45.07347 135.7303       26.28871 41.99365 10.87890 52.37877 5.195943 -10.38512      12.05605 
1 1 1 8   1  18 o 316.7971 6.136718 4919.929       190.2933 5019.566       272.9557 4825.708       265.4327 319.5994 8.733479 313.3730 8.661704 6.226379       12.30036 
1 1 1 8   1  19 o 85.07319 3.156011 354.8736       26.23517 366.1363       37.27113 343.8128       36.93542 86.33833 4.425005 83.65040 4.527836 2.687927       6.331032 
1 1 1 8   1  20 o 410.9169 7.793083 8292.511       313.4509 7985.000       609.2965 8403.186       365.5310 400.8767 15.55739 413.4048 9.033217 -12.52805      17.98976 
1 1 1 8   1  21 o 523.1784 11.36152 13507.86       581.8254 13300.00       996.1432 13615.49       716.8008 514.4537 19.81903 523.9617 13.98883 -9.507996      24.25863 
1 1 1 8   1  22 o 257.7022 5.134253 3256.336       129.5095 3331.677       185.7810 3185.111       180.6355 260.3158 7.298328 254.5275 7.257814 5.788300       10.29279 
1 1 1 8   1  23 o 193.7015 4.118038 1838.703       78.07818 1826.973       109.9542 1850.633       110.8901 192.8685 5.831008 194.1130 5.842877 -1.244553      8.254687 
1 1 1 8   1  24 o 269.7131 6.180256 3571.927       163.1604 3794.000       293.1549 3472.263       196.3889 276.8277 10.83981 265.6022 7.561734 11.22546       13.21671 
1 1 1 8   1  25 f 134.8165 3.392967 891.0454       44.73872 912.8286       63.60866 869.7200       62.93690 136.3433 4.773608 133.0747 4.839804 3.268646       6.797870 
1 1 1 8   1  26 o 235.7185 4.797663 2725.565       110.6954 2770.406       157.9397 2682.271       155.1904 237.2791 6.807300 233.4729 6.798057 3.806183       9.620441 
1 1 1 8   1  27 o 181.3443 5.637929 1616.425       99.95436 1616.425       99.95436 0.000000       0.000000 181.3443 5.637929 ?        ?        ?              ?        
1 1 1 8   1  28 o 100.4321 3.303608 494.7939       32.43216 512.9891       45.73282 476.3852       46.00034 102.1568 4.585249 98.41691 4.789511 3.739861       6.630530 
1 1 1 8   1  29 o 134.5431 3.489945 887.8624       45.92185 924.7120       65.69788 852.6585       64.21414 137.1653 4.901166 131.6955 4.990454 5.469849       6.994716 
1 1 1 8   1  30 o 190.6173 4.124936 1782.395       76.96366 1769.694       108.0686 1795.466       109.6344 189.6308 5.829085 191.0002 5.871145 -1.369446      8.273366 
1 1 1 8   1  31 o 143.0227 3.483795 1002.991       48.77125 1002.806       68.78175 1003.178       69.16579 142.7923 4.928489 142.8149 4.955299 -0.2265930E-01 6.988919 
1 1 1 8   1  32 o 124.4852 3.344514 760.4476       40.71583 787.1780       58.19190 734.8110       56.98870 126.4922 4.708158 122.1974 4.773720 4.294884       6.704861 
1 1 1 8   1  33 o 61.91490 3.976475 188.9834       23.97163 192.3310       30.21767 183.3000       39.37308 62.33430 4.994289 60.55445 6.757790 1.779854       8.403014 
1 1 1 8   1  34 o 50.38207 4.142148 125.5755       20.24691 138.4376       28.58678 112.6291       28.68035 52.69122 5.629824 47.33266 6.350464 5.358559       8.486654 
1 1 1 8   1  35 o 176.3571 4.560248 1532.224       78.65441 1492.000       132.6407 1554.040       97.68177 172.9115 7.857472 177.3032 5.635633 -4.391663      9.669551 
1 1 1 8   1  36 o 84.95850 4.645144 356.8932       38.48192 372.6000       50.82869 335.8000       58.90301 86.51416 6.040212 81.74541 7.443068 4.768753       9.585584 
1 1 1 8   1  37 o 145.8130 3.583242 1045.891       51.14212 1103.679       74.04282 993.1691       70.72308 149.3223 5.073215 141.6290 5.109932 7.693283       7.200619 
1 1 1 8   1  38 o 82.36433 3.971201 335.1653       31.92168 353.1000       59.51782 327.9229       37.82176 83.61621 7.346549 81.29723 4.773923 2.318985       8.761399 
1 1 1 8   1  39 o 56.31615 4.014575 157.3363       21.98474 133.1680       30.51802 183.4094       31.69777 51.28491 6.205447 60.51288 5.408445 -9.227974      8.231576 
1 1 1 8   1  40 o 11.17789 5.366132 -24.24139      17.01442 -22.01627      23.54449 -26.67350      24.61527 14.37982 6.724827 14.26885 6.736121 0.1109667      9.518331 
1 1 1 8   1  41 o 69.88087 3.645749 241.7257       24.85116 243.9179       35.40805 239.5975       34.88743 69.78844 5.221217 69.17358 5.190405 0.6148529      7.362161 
1 1 1 8   1  42 o 33.77742 6.018478 58.87218       19.16875 43.22084       26.58687 75.81559       27.66252 28.74734 8.703458 37.93805 7.712336 -9.190708      11.62886 
1 1 1 8   1  43 f 49.89701 4.496950 124.7158       21.72793 116.2049       30.31811 133.7029       31.15485 47.48651 6.709380 51.11383 6.364518 -3.627316      9.247857 
1 1 1 8   1  44 o 36.26885 5.907136 67.81989       20.24983 62.89257       28.62469 72.75610       28.65049 34.15950 8.574989 36.88281 8.153080 -2.723309      11.83229 
1 1 1 8   1  45 o 46.20986 4.813776 107.9300       21.45459 96.19176       29.74076 120.6668       30.97990 42.69824 7.383039 48.19398 6.752221 -5.495739      10.00509 
1 1 1 8   1  46 o 149.9331 3.795002 1118.486       55.65019 1096.107       77.90395 1141.805       79.52354 147.1835 5.416710 150.2236 5.417050 -3.040131      7.660625 
1 1 1 8   1  47 o 22.68974 7.432904 26.44165       19.03490 15.71266       26.04255 38.74797       27.89126 21.20700 8.415874 27.04683 9.003244 -5.839827      12.32418 
1 1 1 8   1  48 o 99.47276 3.467016 492.6841       33.70557 439.8824       45.63675 556.0511       49.99452 93.10969 5.026046 104.8129 4.886506 -11.70322      7.009927 
1 1 1 8   1  49 o 60.19994 4.235961 182.7486       24.80121 196.1425       31.99987 162.6000       39.24796 61.85439 5.337486 55.10182 7.469004 6.752571       9.180130 
1 1 1 8   1  50 o 19.94785 7.292696 18.20856       18.55434 8.308513       23.65759 34.03000       29.90714 18.86331 7.820384 25.80660 9.283555 -6.943285      12.13848 
1 1 1 8   1  51 o 15.91173 7.116036 -6.005886      22.71969 1.493000       25.71045 -32.73000      48.53590 18.15164 7.859578 20.37528 9.569099 -2.223639      12.38308 
1 1 1 8   1  52 f 49.21034 4.738929 124.0015       22.54474 153.6000       35.01409 103.0409       29.46526 53.62754 6.824746 43.61832 7.148796 10.00922       9.883443 
1 1 1 8   1  53 o 41.54021 6.512010 92.65691       25.60872 20.92000       52.48201 115.0750       29.33851 26.30411 11.30816 46.28008 6.668665 -19.97597      13.12804 
1 1 1 8   1  54 o 45.00328 4.742715 104.4158       20.57812 107.5325       28.63679 101.0881       29.59034 44.56254 6.778565 42.85559 7.316442 1.706944       9.973930 
1 1 1 8   1  55 o 39.09629 5.677446 80.79252       21.09206 80.34000       32.33148 81.12779       27.82956 37.06915 9.001646 38.04755 7.736467 -0.9783974     11.86940 
1 1 1 8   1  56 o 21.33897 7.165773 24.00335       17.66289 25.62504       25.14063 22.42268       24.82063 22.73514 8.457584 21.91361 8.348486 0.8215294      11.88394 
1 1 1 8   1  57 o 58.46508 5.730935 179.8879       32.37568 179.8879       32.37568 0.000000       0.000000 58.46508 5.730935 ?        ?        ?              ?        
1 1 1 8   1  58 f 25.36501 7.039924 35.95307       18.09485 39.98516       25.34227 31.75938       25.84509 26.44174 8.570601 24.25882 8.641300 2.182915       12.17075 
1 1 1 8   1  59 o 29.75523 6.641123 48.96432       18.85164 50.59488       26.83076 47.37456       26.49294 29.35044 8.710657 28.46023 8.702593 0.8902092      12.31303 
1 1 1 8   1  60 o 32.42989 6.158971 57.37841       18.83586 63.52991       26.64370 51.23224       26.63217 32.92828 8.276898 29.38336 8.667623 3.544924       11.98477 
1 1 1 8   1  61 o 14.48804 6.492249 -4.326357      19.01283 5.819565       25.38511 -17.29000      28.69438 18.28598 7.862920 15.99035 7.460198 2.295626       10.83882 
1 1 1 8   2  0  o 444.5966 8.349517 9702.647       363.3571 9818.571       518.4229 9590.713       509.4245 446.4176 11.87469 441.2205 11.80615 5.197144       16.74496 
1 1 1 8   2  1  o 343.9349 6.549999 5799.656       220.5076 5813.663       312.4334 5785.755       311.2597 343.9166 9.289577 343.0915 9.276955 0.8250732      13.12852 
1 1 1 8   2  2  o 660.1084 12.27940 21454.13       793.4121 21547.29       1125.592 21362.13       1118.549 659.3088 17.45695 656.4844 17.42242 2.824402       24.66345 
1 1 1 8   2  3  o 123.6643 2.952087 748.6987       35.73384 768.5479       51.27165 729.9504       49.82975 125.2021 4.189590 122.0147 4.178415 3.187416       5.917078 
1 1 1 8   2  4  o 525.5024 9.824553 13560.41       505.3517 14521.08       750.8448 12764.87       683.2748 542.6494 14.14801 508.8672 13.73036 33.78210       19.71519 
1 1 1 8   2  5  o 430.9074 9.358910 9112.510       394.7439 8612.000       656.8800 9395.425       493.8646 417.4816 16.10489 437.0807 11.55370 -19.59909      19.82058 
1 1 1 8   2  6  o 147.5135 3.800116 1066.122       54.82431 1159.000       98.85727 1024.869       65.88430 153.6517 6.588331 144.5893 4.661304 9.062363       8.070556 
1 1 1 8   2  7  o 281.0995 6.299857 3871.210       173.3393 3872.000       299.9044 3870.813       212.4126 280.6243 10.93916 280.9055 7.732629 -0.2812195     13.39622 
1 1 1 8   2  8  o 439.8745 9.543956 9490.809       410.9258 9981.000       737.2067 9269.851       494.9495 449.7387 16.77586 434.3319 11.65267 15.40677       20.42582 
1 1 1 8   2  9  o 354.7553 7.799435 6168.368       270.8309 6178.632       332.1353 6148.000       467.8656 354.7907 9.572680 353.3914 13.55078 1.399323       16.59096 
1 1 1 8   2  10 o 587.9957 12.66213 16986.98       728.7644 17644.15       916.9477 15860.00       1200.782 598.4433 15.66711 565.6198 21.72911 32.82349       26.78829 
1 1 1 8   2  11 o 195.4183 4.708786 1870.025       90.07003 1838.626       109.1604 1937.000       159.4264 193.6583 5.765096 198.6051 8.218699 -4.946823      10.03909 
1 1 1 8   2  12 f 167.2233 5.224535 1370.881       85.41174 1370.881       85.41174 0.000000       0.000000 167.2233 5.224535 ?        ?        ?              ?        
1 1 1 8   2  13 o 317.4071 7.071387 4937.375       219.6987 5012.453       271.8466 4796.000       373.0361 319.5830 8.698374 312.1740 12.23177 7.409088       15.00926 
1 1 1 8   2  14 o 223.5591 4.555182 2447.481       99.67915 2417.918       140.3592 2477.561       141.5839 222.0443 6.464840 224.7701 6.441953 -2.725784      9.126495 
1 1 1 8   2  15 o 578.6882 10.79600 16448.39       611.5245 16175.93       854.4495 16734.49       875.5906 572.6555 15.25717 582.4310 15.37199 -9.775513      21.65824 
1 1 1 8   2  16 o 534.8088 11.56723 14062.64       605.5278 14160.00       1055.299 14014.85       739.3526 533.7787 20.23462 533.1014 14.18148 0.6773682      24.70939 
1 1 1 8   2  17 o 66.44456 4.045669 217.0098       26.18742 219.3000       53.04771 216.2718       30.11238 66.32901 8.355670 66.28301 4.671184 0.4599762E-01  9.572731 
1 1 1 8   2  18 o 474.1464 10.31760 11055.30       478.8474 11230.00       840.0018 10971.21       582.8185 475.2117 18.09176 471.6140 12.63665 3.597687       22.06800 
1 1 1 8   2  19 o 84.25331 3.549269 348.2540       29.20507 376.9000       47.98788 331.4023       36.80618 87.50499 5.632553 82.11638 4.597507 5.388611       7.270676 
1 1 1 8   2  20 o 58.16871 3.551133 166.3351       20.12279 169.5000       35.11754 164.7879       24.55357 58.45518 6.233616 57.82994 4.370001 0.6252441      7.612810 
1 1 1 8   2  21 o 221.4992 4.558381 2404.427       98.83003 2469.000       198.8705 2383.250       113.8890 223.8186 9.096492 220.4706 5.277458 3.348038       10.51655 
1 1 1 8   2  22 o 286.9594 5.626322 4039.304       158.0342 4165.524       227.6249 3921.848       219.5805 290.9619 7.999993 282.3255 7.953721 8.636414       11.28103 
1 1 1 8   2  23 o 227.3968 6.593403 2541.420       146.6025 0.000000       0.000000 2541.420       146.6025 ?        ?        227.3968 6.593403 ?              ?        
1 1 1 8   2  24 o 263.2055 6.055926 3401.291       156.0205 3635.626       199.3672 3031.000       250.6146 271.7897 7.501187 247.4992 10.36786 24.29056       12.79689 
1 1 1 8   2  25 o 181.2893 3.960738 1610.865       70.28368 1612.159       99.05614 1609.552       99.73966 181.1444 5.593337 180.9923 5.636784 0.1521149      7.940954 
1 1 1 8   2  26 o 138.6761 3.443257 942.3107       46.73876 926.1730       65.02502 959.5600       67.22714 137.3189 4.845348 139.7673 4.921657 -2.448318      6.906526 
1 1 1 8   2  27 o 167.2282 3.794470 1370.758       62.11077 1379.259       87.47995 1362.117       88.20027 167.5359 5.341335 166.4805 5.419753 1.055359       7.609440 
1 1 1 8   2  28 f 252.0895 7.199244 3131.082       177.4609 3131.082       177.4609 0.000000       0.000000 252.0895 7.199244 ?        ?        ?              ?        
1 1 1 8   2  29 o 234.1079 4.792123 2690.022       109.8121 2715.722       155.5089 2664.460       155.0876 234.7919 6.773608 232.5530 6.820532 2.238922       9.612566 
1 1 1 8   2  30 o 177.9029 3.935403 1552.246       68.52964 1574.300       97.08588 1530.347       96.74611 178.8904 5.551225 176.3631 5.611417 2.527237       7.893295 
1 1 1 8   2  31 o 115.3158 3.280302 652.4251       36.98856 640.1498       50.63272 666.4730       54.16521 114.0947 4.542852 116.3932 4.764372 -2.298462      6.583066 
1 1 1 8   2  32 f 91.25351 3.628522 409.1321       32.34587 369.0635       38.58264 503.9000       59.33630 86.55999 4.569935 100.9692 6.031276 -14.40920      7.567073 
1 1 1 8   2  33 o 143.0233 3.502609 1003.652       49.03481 1014.406       69.10208 992.7459       69.59190 143.5279 4.925982 141.9695 5.015802 1.558380       7.030190 
1 1 1 8   2  34 o 82.29980 3.322359 332.9226       26.70902 317.1865       36.01811 352.1471       39.81050 80.16628 4.609543 84.44819 4.836387 -4.281914      6.681207 
1 1 1 8   2  35 o 166.7625 4.414918 1369.683       72.00210 1362.934       87.33900 1384.000       127.2098 166.0976 5.379127 166.5158 7.826647 -0.4182281     9.496916 
1 1 1 8   2  36 o 97.40585 3.685571 467.1854       35.07615 494.8000       57.63046 450.9366       44.20730 99.77596 5.927639 95.50334 4.743847 4.272621       7.592167 
1 1 1 8   2  37 o 173.7111 4.520593 1489.988       76.79979 1430.000       127.3726 1524.255       96.26736 168.7475 7.731930 175.2790 5.618294 -6.531464      9.557612 
1 1 1 8   2  38 o 77.77573 3.333341 298.1095       25.31755 305.2429       35.25669 290.5150       36.37849 78.45740 4.611269 76.47318 4.885471 1.984215       6.718008 
1 1 1 8   2  39 o 132.8104 4.094018 871.9128       53.15806 940.4000       97.08398 842.5880       63.52732 136.4832 7.293602 130.2410 4.992424 6.242249       8.838604 
1 1 1 8   2  40 o 55.90934 4.928514 156.3530       26.69576 168.6000       51.90187 151.9474       31.12917 56.43660 9.747748 54.85818 5.889324 1.578419       11.38871 
1 1 1 8   2  41 o 64.26727 3.699289 204.6298       23.17263 214.7917       31.95020 193.3521       33.65859 65.52038 5.020088 61.97449 5.609186 3.545887       7.527566 
1 1 1 8   2  42 o 84.78310 3.449839 355.3819       28.56975 384.9192       40.57069 326.3260       40.23880 87.85701 4.735190 80.74584 5.117512 7.111168       6.972156 
1 1 1 8   2  43 o 60.84664 3.972736 184.1850       23.53158 186.2551       32.53094 181.9129       34.08045 60.73320 5.532915 59.89399 5.889293 0.8392105      8.080651 
1 1 1 8   2  44 o 19.04529 7.188610 14.14311       18.30067 25.01631       25.18424 1.977335       26.63912 23.52599 8.511662 18.98486 8.106714 4.541138       11.75445 
1 1 1 8   2  45 o 28.92967 6.791869 44.40475       18.90148 49.20162       25.84975 38.89329       27.70838 30.18913 8.427573 27.36580 8.968040 2.823338       12.30649 
1 1 1 8   2  46 o 70.37498 3.686815 246.7139       25.30804 224.9623       34.52814 271.9667       37.20333 66.54924 5.345512 73.26749 5.221800 -6.718254      7.472730 
1 1 1 8   2  47 f 70.04735 3.710849 244.9748       25.35239 243.0307       35.07218 247.1023       36.68989 69.10613 5.223574 69.57934 5.430133 -0.4732056     7.534724 
1 1 1 8   2  48 o 30.43274 7.057327 50.10203       20.61349 51.82972       26.49023 47.45000       32.82021 30.55287 8.532156 29.41080 9.765736 1.142065       12.96793 
1 1 1 8   2  49 o 57.01892 4.079846 163.6930       22.61983 185.8373       31.57015 140.3325       32.42555 60.14997 5.420183 51.63694 6.563459 8.513023       8.512190 
1 1 1 8   2  50 o 70.57643 4.370337 251.6852       30.04312 268.1666       34.85041 204.0000       59.27919 72.54848 4.937064 59.21630 10.61719 13.33218       11.70894 
1 1 1 8   2  51 o 41.39200 4.874913 88.09814       19.37268 93.75928       26.20232 81.27227       28.77182 41.92372 6.603403 38.29997 7.935798 3.623749       10.32385 
1 1 1 8   2  52 o 27.31866 7.078649 41.03983       19.08058 40.01000       28.28348 41.89999       25.84862 26.94917 9.067865 27.38516 8.632795 -0.4359875     12.52004 
1 1 1 8   2  53 o 17.74534 7.044465 11.06145       18.25231 42.74000       27.35280 -14.36716      24.50645 27.47569 8.903955 15.25050 7.038300 12.22519       11.34980 
1 1 1 8   2  54 o 37.83831 6.687592 77.81847       23.86324 55.63000       48.33115 84.97144       27.44141 30.76525 11.66637 39.14383 7.433811 -8.378572      13.83350 
1 1 1 8   2  55 o 44.71738 6.002243 106.1482       25.60933 157.0000       54.87762 91.99090       28.95556 49.95242 11.46657 40.69220 7.547502 9.260220       13.72760 
1 1 1 8   2  56 o 35.03703 5.857282 65.57174       19.37911 93.28216       27.01298 36.18693       27.81713 41.30566 6.926186 25.62336 8.979528 15.68229       11.34037 
1 1 1 8   2  57 o 22.05044 7.282972 26.09756       18.26047 22.43999       24.75323 30.46453       27.04742 21.87275 8.336126 24.10675 8.806262 -2.234005      12.12606 
1 1 1 8   2  58 o 26.82024 8.015162 41.12364       22.65560 36.97683       25.47989 56.78000       49.50919 25.60777 8.606650 30.62254 11.75985 -5.014763      14.57287 
1 1 1 8   2  59 o 26.99695 7.086589 40.93417       18.96022 29.04315       26.46883 53.46597       27.17263 23.60980 8.697192 30.13093 8.718194 -6.521128      12.31455 
1 1 1 8   2  60 o 60.08509 4.361746 185.3198       25.47804 173.5634       32.69398 203.5000       40.65654 57.02597 5.944354 60.90336 6.943881 -3.877396      9.140723 
1 1 1 8   2  61 o 20.77687 7.956813 20.68196       22.62281 23.83794       25.66143 9.673000       47.92772 21.98367 8.460184 23.29567 10.38242 -1.311995      13.39289 
1 1 1 8   3  0  o 147.9111 3.289391 1071.174       47.62362 1070.427       67.53792 1071.912       67.16359 147.7542 4.675722 147.8584 4.646447 -0.1042480     6.591802 
1 1 1 8   3  1  o 362.8464 7.969174 6459.080       283.0365 5876.000       458.8118 6817.291       359.6172 345.0222 13.61239 372.4026 9.874269 -27.38037      16.81661 
1 1 1 8   3  2  o 383.7392 7.258059 7220.777       272.6232 7316.741       389.3642 7128.486       381.8408 385.7658 10.32087 380.7785 10.25414 4.987366       14.54881 
1 1 1 8   3  3  o 183.2008 3.824394 1643.422       68.57979 1701.761       99.17024 1589.953       94.94089 186.2968 5.444224 180.0707 5.392543 6.226074       7.662839 
1 1 1 8   3  4  o 363.0597 7.961233 6464.103       282.9206 7147.000       525.3336 6185.119       335.7745 380.6767 14.12298 354.8374 9.676487 25.83929       17.11996 
1 1 1 8   3  5  f 140.4044 3.677194 965.8450       50.49282 931.4000       85.75138 984.1261       62.47114 137.7234 6.378349 141.6897 4.510124 -3.966309      7.811821 
1 1 1 8   3  6  o 207.8802 4.872862 2116.313       99.15248 2023.000       166.9395 2167.173       123.2462 202.9433 8.422153 210.2437 5.994983 -7.300385      10.33791 
1 1 1 8   3  7  o 311.0975 5.985849 4740.919       182.2756 4904.927       264.1282 4591.791       251.8623 316.1699 8.542524 305.9150 8.419169 10.25485       11.99405 
1 1 1 8   3  8  o 482.7165 9.035904 11426.73       426.9430 11635.70       611.8063 11228.37       596.0780 486.4485 12.86033 477.8705 12.75485 8.578003       18.11282 
1 1 1 8   3  9  o 207.3381 4.244471 2104.861       86.14080 2127.088       122.9207 2083.412       120.7513 208.2965 6.035246 206.1477 5.990566 2.148804       8.503592 
1 1 1 8   3  10 o 98.61921 4.055696 476.9884       39.06658 476.9884       39.06658 0.000000       0.000000 98.61921 4.055696 ?        ?        ?              ?        
1 1 1 8   3  11 o 360.3682 9.735713 6375.680       343.1013 6375.680       343.1013 0.000000       0.000000 360.3682 9.735713 ?        ?        ?              ?        
1 1 1 8   3  12 o 121.2210 4.485394 720.5338       53.12941 720.5338       53.12941 0.000000       0.000000 121.2210 4.485394 ?        ?        ?              ?        
1 1 1 8   3  13 o 148.4322 4.029231 1079.558       58.48636 1069.521       72.01815 1099.000       100.2319 147.6933 4.988832 149.5977 6.863312 -1.904404      8.484899 
1 1 1 8   3  14 o 394.9676 7.489976 7647.352       289.5664 7698.397       411.3602 7597.215       407.6820 395.8142 10.62717 393.2063 10.60209 2.607880       15.01136 
1 1 1 8   3  15 o 272.0456 5.358761 3625.385       142.6962 3672.402       203.9032 3580.258       199.7661 273.5714 7.622030 270.1203 7.562861 3.451111       10.73742 
1 1 1 8   3  16 o 420.7630 7.953735 8684.185       327.5782 8559.565       458.7398 8813.846       467.9278 417.1154 11.24606 423.2587 11.30462 -6.143280      15.94579 
1 1 1 8   3  17 o 323.5019 7.229865 5132.850       228.9355 5312.000       407.7383 5050.370       276.6617 328.1243 12.71921 320.6044 8.824431 7.519928       15.48060 
1 1 1 8   3  18 o 204.2817 4.976345 2044.713       99.50529 2002.000       172.8186 2065.896       121.7033 201.7050 8.774205 205.1910 6.066174 -3.485977      10.66701 
1 1 1 8   3  19 f 137.9363 3.950545 932.7020       53.28367 0.000000       0.000000 932.7020       53.28367 ?        ?        137.9363 3.950545 ?              ?        
1 1 1 8   3  20 o 246.8665 4.960280 2987.012       119.8601 2838.000       229.4416 3042.940       140.5652 239.9259 9.790438 249.1030 5.764912 -9.177139      11.36164 
1 1 1 8   3  21 o 143.8566 3.967954 1014.667       55.81973 1070.000       96.46212 986.8109       68.44328 147.4884 6.699282 141.7953 4.938857 5.693069       8.323022 
1 1 1 8   3  22 o 115.4737 4.570275 654.6097       51.55529 0.000000       0.000000 654.6097       51.55529 ?        ?        115.4737 4.570275 ?              ?        
1 1 1 8   3  23 o 114.8641 3.183492 646.7370       35.75818 633.1100       49.31892 661.8397       51.92074 113.5611 4.445468 116.1024 4.577681 -2.541298      6.381014 
1 1 1 8   3  24 o 103.8483 3.132742 528.7411       31.80776 539.4263       44.31063 517.3819       45.68687 104.8100 4.328474 102.6232 4.559587 2.186798       6.286932 
1 1 1 8   3  25 o 226.7309 4.643192 2521.083       103.0466 2528.681       145.3894 2513.414       146.0728 226.7482 6.557511 226.0534 6.608739 0.6947632      9.310015 
1 1 1 8   3  26 o 143.3607 4.876364 1009.432       68.32819 992.3000       94.74530 1028.000       98.63323 141.8935 6.841806 144.4060 6.998854 -2.512543      9.787455 
1 1 1 8   3  27 o 188.8738 4.095608 1749.052       75.71751 1676.344       103.6702 1832.182       110.8517 184.6576 5.742599 193.0384 5.873515 -8.380722      8.214354 
1 1 1 8   3  28 o 190.2878 4.130643 1775.639       76.93694 1797.853       108.7288 1753.363       108.8819 191.2020 5.816358 188.8063 5.898831 2.395737       8.284096 
1 1 1 8   3  29 o 128.7796 3.853216 813.9114       48.51631 780.0615       57.87864 893.9000       88.97205 125.9842 4.701740 134.5864 6.775562 -8.602211      8.247097 
1 1 1 8   3  30 o 132.1667 3.912239 857.4670       50.55631 903.7134       62.64626 771.1000       85.61111 135.5956 4.727247 124.9009 7.030974 10.69469       8.472394 
1 1 1 8   3  31 o 104.2602 3.673534 533.7967       37.43084 503.2389       44.00245 613.8000       71.19833 101.1464 4.455402 111.4212 6.557224 -10.27475      7.927660 
1 1 1 8   3  32 o 256.9327 5.168942 3246.365       129.9952 3293.515       184.8081 3200.190       182.8889 258.0702 7.323462 254.3740 7.352994 3.696121       10.37784 
1 1 1 8   3  33 o 85.37424 3.811160 358.5179       31.76831 390.4164       38.25977 287.7000       57.00713 89.02623 4.404214 75.80452 7.793863 13.22171       8.952172 
1 1 1 8   3  34 o 191.5950 4.813894 1808.063       90.20753 1819.390       110.1525 1785.000       157.1864 191.8980 5.871227 189.0956 8.514176 2.802414       10.34227 
1 1 1 8   3  35 o 74.78123 3.347460 275.1461       24.44060 270.2213       33.04210 281.0958       36.31816 73.93535 4.588331 75.35333 4.951402 -1.417984      6.750494 
1 1 1 8   3  36 o 131.7605 3.453415 853.8079       44.50057 896.9443       63.01664 810.8989       62.85032 134.7519 4.785244 128.0562 5.023938 6.695755       6.938192 
1 1 1 8   3  37 o 82.28045 3.671158 333.8243       29.49245 305.0000       44.68948 356.0637       39.25435 78.17654 5.883301 84.77371 4.749638 -6.597168      7.561236 
1 1 1 8   3  38 o 33.70181 6.044700 58.17697       19.20782 51.98000       26.82256 64.69980       27.51874 31.51768 8.500793 35.13935 8.157887 -3.621674      11.78196 
1 1 1 8   3  39 o 91.24110 3.320365 410.4370       29.60450 428.3043       41.20939 391.3818       42.55732 92.91496 4.544896 88.70584 4.920632 4.209114       6.698411 
1 1 1 8   3  40 o 46.06323 5.718197 107.4135       25.22884 127.6000       48.37818 99.87310       29.56773 48.65776 10.46835 43.99945 7.107561 4.658318       12.65321 
1 1 1 8   3  41 o 52.01340 5.305278 136.2108       26.63254 106.5000       50.54752 147.6281       31.33464 43.91188 11.59196 53.95677 6.036299 -10.04489      13.06945 
1 1 1 8   3  42 o 64.81110 3.722375 208.3001       23.51501 191.1613       31.80277 228.9715       34.92682 61.65372 5.321911 67.51239 5.328467 -5.858665      7.530956 
1 1 1 8   3  43 o 66.02274 3.780953 216.4339       24.33219 218.6717       33.71668 214.0016       35.14988 65.92548 5.268806 65.11012 5.568713 0.8153687      7.666217 
1 1 1 8   3  44 o 79.21616 3.617604 311.2037       27.97649 318.3877       38.81627 303.4375       40.35822 79.65488 5.003740 77.62035 5.344528 2.034531       7.321297 
1 1 1 8   3  45 o 36.75447 5.856708 69.86269       20.36376 86.40549       28.10189 51.57094       29.55007 40.40302 7.377606 30.84169 9.138448 9.561331       11.74480 
1 1 1 8   3  46 o 55.60927 4.111190 155.0285       22.21974 151.7885       30.73943 158.5739       32.15528 54.36287 5.869755 55.51336 6.013556 -1.150490      8.403385 
1 1 1 8   3  47 o 68.50170 4.108227 235.3904       27.41965 242.3778       35.32545 224.8000       43.48973 68.97954 5.271865 65.52561 6.883270 3.453926       8.670177 
1 1 1 8   3  48 o 31.86790 6.400457 54.08442       19.27109 44.00107       26.02834 66.31804       28.66958 28.29881 8.620608 34.50208 8.536468 -6.203264      12.13203 
1 1 1 8   3  49 o 49.60581 5.332736 126.6372       25.48724 123.1786       28.91109 138.7000       53.99292 48.49219 6.235095 47.95854 11.62434 0.5336494      13.19097 
1 1 1 8   3  50 o 70.47695 3.610617 248.5198       24.82475 244.5388       34.05460 253.0343       36.26451 69.18633 5.063694 70.23569 5.314377 -1.049370      7.340546 
1 1 1 8   3  51 o 64.50910 3.778508 209.0285       23.75428 211.0612       32.70021 206.7574       34.56452 64.06454 5.260977 63.17365 5.649257 0.8908844      7.719584 
1 1 1 8   3  52 o 21.14081 7.149339 22.93633       17.58135 7.745563       23.85309 41.00535       26.01490 18.69150 7.809133 27.12578 8.673659 -8.434288      11.67111 
1 1 1 8   3  53 o 39.97821 5.535005 83.95556       21.07907 70.88000       31.43397 94.63997       28.41479 34.80322 9.119278 41.54292 7.251476 -6.739700      11.65097 
1 1 1 8   3  54 o 27.28317 8.585323 42.42192       25.57596 0.000000       0.000000 42.42192       25.57596 ?        ?        27.28317 8.585323 ?              ?        
1 1 1 8   3  55 o 40.39678 6.596834 88.27451       25.18544 68.14000       51.69899 94.53969       28.83888 32.96995 12.15325 41.35405 7.396017 -8.384102      14.22682 
1 1 1 8   3  56 f 28.05705 8.107560 45.02343       23.51366 113.7000       48.54438 23.97143       26.87704 42.06055 11.47498 22.59463 8.667752 19.46593       14.38072 
1 1 1 8   3  57 o 17.78444 7.015793 11.84277       17.99928 11.97985       24.36790 11.67817       26.70152 19.46803 7.990378 19.97162 8.296536 -0.5035934     11.51862 
1 1 1 8   3  58 o 36.40783 6.229063 71.70988       21.40107 91.46087       27.32152 40.35000       34.42689 40.66364 7.123727 26.85820 9.914447 13.80543       12.20835 
1 1 1 8   3  59 o 35.09230 6.516401 67.36351       21.55957 58.77267       27.13895 82.06000       35.49622 31.63902 8.558200 36.66100 9.730904 -5.021980      12.95891 
1 1 1 8   3  60 o 18.81412 7.688883 11.89434       22.44227 11.25268       25.47272 14.12000       47.44086 19.41532 8.087513 23.98195 10.52444 -4.566629      13.27297 
1 1 1 8   3  61 o 33.85559 6.112194 62.77333       19.50989 81.24235       28.02403 45.40297       27.17773 37.39393 7.904057 27.48733 8.872737 9.906601       11.88274 
1 1 1 8   4  0  f 496.4602 9.288054 12098.41       451.3520 12388.58       649.6038 11827.58       627.5819 501.4427 13.24651 489.9865 13.09694 11.45618       18.62793 
1 1 1 8   4  1  o 390.4662 7.377205 7475.471       281.9561 7541.123       401.3718 7411.508       396.1715 391.6742 10.47867 388.2987 10.43289 3.375549       14.78674 
1 1 1 8   4  2  o 270.9746 6.098781 3597.969       161.7625 3963.000       298.7771 3446.594       192.4015 283.8239 10.77411 265.0329 7.423872 18.79105       13.08416 
1 1 1 8   4  3  o 384.6463 8.403937 7256.741       316.4103 6791.000       523.0586 7525.529       397.3587 371.0411 14.42948 391.3459 10.38244 -20.30478      17.77653 
1 1 1 8   4  4  o 488.5929 10.55780 11721.12       504.9247 11560.00       865.6285 11804.21       621.6342 483.3238 18.33053 489.7501 12.97887 -6.426361      22.46018 
1 1 1 8   4  5  o 169.8702 4.181556 1412.912       69.52826 1717.000       134.9333 1302.987       81.12769 187.0215 7.385433 163.0307 5.090096 23.99088       8.969599 
1 1 1 8   4  6  o 470.0817 8.807698 10836.32       405.2677 10716.72       569.0457 10959.43       577.3140 466.8539 12.46375 472.1075 12.50396 -5.253693      17.65486 
1 1 1 8   4  7  o 549.0633 10.23537 14792.18       550.0881 14597.72       771.0438 14993.76       785.0289 544.5573 14.47821 551.8852 14.54486 -7.327942      20.52246 
1 1 1 8   4  8  o 137.7390 3.203631 928.7473       43.19223 990.7932       63.53307 875.4276       58.89620 142.1740 4.571287 133.6346 4.509046 8.539352       6.420915 
1 1 1 8   4  9  o 491.0108 10.61333 11831.82       510.0923 11817.75       624.5250 11860.00       884.0947 490.2077 13.02712 489.8952 18.47004 0.3125610      22.60196 
1 1 1 8   4  10 o 526.3842 11.36020 13604.54       585.3221 13352.90       707.5726 14150.00       1041.740 520.8957 13.88999 534.6830 19.93967 -13.78735      24.30066 
1 1 1 8   4  11 o 716.4210 15.38361 25273.38       1078.779 25840.01       1342.344 24240.00       1812.776 723.0170 18.98389 696.9258 26.62262 26.09119       32.69789 
1 1 1 8   4  12 o 272.3607 6.194695 3634.225       165.1470 3537.726       198.9595 3848.000       296.1299 268.5457 7.576604 279.7532 10.83485 -11.20752      13.22115 
1 1 1 8   4  13 o 210.5695 5.036503 2171.594       103.8080 2201.704       128.4890 2115.000       176.1545 211.8947 6.201646 207.4797 8.693111 4.415054       10.67851 
1 1 1 8   4  14 o 199.2339 4.844226 1944.059       94.46997 1971.800       116.9619 1892.000       160.2285 200.5253 5.965571 196.2342 8.360944 4.291122       10.27100 
1 1 1 8   4  15 o 259.1041 5.949969 3289.515       150.9021 3257.336       183.8289 3356.000       264.2326 257.6553 7.296356 261.1974 10.35554 -3.542175      12.66784 
1 1 1 8   4  16 o 169.8472 3.773851 1412.620       62.74072 1517.517       92.78429 1324.248       85.16242 175.9091 5.395028 164.3208 5.301735 11.58826       7.564041 
1 1 1 8   4  17 o 339.0344 6.518011 5635.731       216.3042 5603.615       304.7254 5668.347       307.0890 337.6355 9.229155 339.5786 9.247458 -1.943054      13.06494 
1 1 1 8   4  18 o 205.0183 4.962926 2059.568       99.59481 0.000000       0.000000 2059.568       99.59481 ?        ?        205.0183 4.962926 ?              ?        
1 1 1 8   4  19 o 160.8884 4.260396 1268.992       67.03455 0.000000       0.000000 1268.992       67.03455 ?        ?        160.8884 4.260396 ?              ?        
1 1 1 8   4  20 o 115.9678 4.561934 660.0526       51.68264 0.000000       0.000000 660.0526       51.68264 ?        ?        115.9678 4.561934 ?              ?        
1 1 1 8   4  21 f 247.8038 5.770140 3012.247       139.9589 0.000000       0.000000 3012.247       139.9589 ?        ?        247.8038 5.770140 ?              ?        
1 1 1 8   4  22 o 97.64768 3.161609 467.4974       30.17891 481.2000       55.06859 461.6156       36.07921 98.87261 5.714471 96.99139 3.807696 1.881226       6.866857 
1 1 1 8   4  23 o 142.4496 3.417893 994.0626       47.65689 996.8988       66.26598 991.0241       68.58803 142.5099 4.757168 142.0725 4.939617 0.4374084      6.857875 
1 1 1 8   4  24 o 216.3771 4.474110 2295.501       94.75982 2355.179       135.3497 2238.128       132.7105 218.8859 6.323954 213.3671 6.361461 5.518784       8.969982 
1 1 1 8   4  25 o 277.8039 5.486358 3788.009       149.1862 3644.829       204.8964 3949.555       217.6423 272.0141 7.703257 283.1278 7.860949 -11.11374      11.00612 
1 1 1 8   4  26 o 49.11687 4.563221 119.3354       21.68767 110.0246       25.39841 144.4000       41.67189 47.00499 5.632226 53.52811 8.215447 -6.523117      9.960700 
1 1 1 8   4  27 o 46.93707 4.405118 108.9948       20.00203 90.30577       25.89873 136.6201       31.48750 42.38530 6.445247 52.35400 6.268925 -9.968697      8.991141 
1 1 1 8   4  28 f 263.8083 5.273765 3417.226       136.1807 3376.980       190.2285 3459.531       195.0387 261.7258 7.432981 264.8828 7.530118 -3.157013      10.58073 
1 1 1 8   4  29 o 122.5478 3.786844 737.0782       45.36988 726.8748       54.57766 759.9000       81.62424 121.6148 4.593075 124.0572 6.747282 -2.442390      8.162239 
1 1 1 8   4  30 o 152.9332 4.164235 1148.324       62.27863 1162.757       76.07659 1119.000       108.4388 153.7758 5.061146 150.4517 7.386025 3.324066       8.953691 
1 1 1 8   4  31 o 214.2470 5.171437 2256.218       108.4507 2284.274       133.1833 2201.000       186.8392 215.2535 6.327977 210.4756 9.090446 4.777939       11.07608 
1 1 1 8   4  32 o 86.35628 3.742248 366.6025       31.55735 400.3487       37.94465 290.9000       56.83208 90.18746 4.310795 76.30164 7.715348 13.88583       8.837960 
1 1 1 8   4  33 o 248.5656 5.826528 3046.195       141.7611 3072.550       173.9058 2994.000       244.7380 249.0816 7.140270 244.3529 10.25520 4.728699       12.49611 
1 1 1 8   4  34 o 103.7172 3.257872 528.4194       33.03331 553.3334       46.34017 502.6801       47.10143 105.9656 4.477820 100.9407 4.780768 5.024895       6.550314 
1 1 1 8   4  35 o 104.9696 3.245279 541.5141       33.30424 549.6165       46.19157 532.7419       48.06277 105.5553 4.480905 103.8706 4.739755 1.684639       6.522560 
1 1 1 8   4  36 o 110.1604 3.271676 596.7345       35.23875 627.0511       49.33784 565.1641       50.34773 112.6961 4.481589 106.9061 4.823824 5.789978       6.584369 
1 1 1 8   4  37 o 63.71685 3.484813 200.2963       21.65127 203.3157       29.22057 196.6205       32.24078 63.98974 4.697966 62.79946 5.294237 1.190281       7.078124 
1 1 1 8   4  38 o 38.21186 5.438623 73.86845       19.76837 81.44000       28.17367 66.52574       27.74465 39.64046 7.536414 35.62747 8.135173 4.012993       11.08957 
1 1 1 8   4  39 o 42.83853 5.049171 92.29389       20.76571 113.4000       30.30162 73.60442       28.51414 47.09511 6.767416 37.44864 8.020559 9.646473       10.49415 
1 1 1 8   4  40 o 20.81977 6.978028 20.72187       16.75019 17.03649       22.07352 25.72500       25.71882 20.96898 7.899248 24.00634 8.612313 -3.037359      11.68632 
1 1 1 8   4  41 o 111.1708 4.118582 612.6321       44.73972 627.7000       80.94379 606.0038       53.68575 110.9292 7.498789 110.2417 4.988079 0.6875305      9.006263 
1 1 1 8   4  42 o 19.11040 7.890741 6.838892       23.95164 -0.7942000     51.30539 8.966087       27.08422 25.31030 11.02948 20.49885 8.419859 4.811451       13.87600 
1 1 1 8   4  43 o 64.55435 3.914071 207.1974       24.61586 206.8235       33.45678 207.6387       36.34667 64.05249 5.386171 64.00777 5.866481 0.4471588E-01  7.964072 
1 1 1 8   4  44 o 63.34557 4.013177 199.9225       24.75554 202.6980       33.80397 196.7125       36.35421 63.29724 5.510912 62.14151 6.053414 1.155727       8.186207 
1 1 1 8   4  45 f 57.33459 4.118745 164.4383       22.96067 169.2735       31.15909 158.6933       33.96457 57.66190 5.590714 55.49900 6.367413 2.162903       8.473490 
1 1 1 8   4  46 o 39.52593 5.919643 81.06649       22.19866 100.6477       27.84833 46.94000       36.76423 43.80131 6.708713 29.81918 10.33108 13.98213       12.31820 
1 1 1 8   4  47 o 30.48123 6.555299 49.60488       18.97697 73.13934       25.95449 22.57112       27.81721 36.80239 7.460644 23.07235 8.826309 13.73004       11.55703 
1 1 1 8   4  48 o 32.98801 7.544171 59.40233       23.82893 69.05045       26.88300 24.03000       51.47403 35.45044 7.944460 27.36738 11.45541 8.083063       13.94062 
1 1 1 8   4  49 o 10.75610 5.206622 -25.88618      16.83249 -4.486460      23.21143 -49.62287      24.44601 16.39385 7.270520 11.85975 5.850902 4.534103       9.332391 
1 1 1 8   4  50 o 59.89840 3.908292 180.4083       22.78925 213.5713       32.15238 146.9278       32.30590 64.59162 5.127513 52.86313 6.371776 11.72849       8.178687 
1 1 1 8   4  51 o 25.50186 7.117010 35.56386       18.43802 19.33472       25.21261 54.22124       27.03306 21.54784 8.360711 30.91866 8.613543 -9.370819      12.00394 
1 1 1 8   4  52 o 42.13559 4.906321 91.53685       19.85727 109.7618       27.76304 72.44846       28.41308 45.42209 6.423489 35.82536 8.270027 9.596733       10.47161 
1 1 1 8   4  53 o 21.78459 7.525775 24.55434       19.50328 20.40000       29.70473 27.70223       25.85737 22.44110 8.960999 23.44210 8.602783 -1.000996      12.42205 
1 1 1 8   4  54 o 36.14619 5.522206 69.01530       18.91912 45.00397       25.92604 96.36643       27.67042 27.99604 8.617993 42.00547 6.974307 -14.00943      11.08651 
1 1 1 8   4  55 o 39.11158 5.611557 80.78271       20.86847 72.82000       31.30415 87.15184       27.99696 35.20105 9.039095 39.59019 7.499117 -4.389149      11.74487 
1 1 1 8   4  56 o 13.84971 6.208974 -5.132666      17.41103 8.183350       23.72453 -20.67569      25.63176 18.55090 7.771859 14.80453 6.953174 3.746368       10.42825 
1 1 1 8   4  57 o 25.31796 8.411075 35.88050       24.34562 -42.42000      46.25854 65.87734       28.63172 18.66814 8.931563 33.56283 8.658262 -14.89469      12.43939 
1 1 1 8   4  58 o 36.69001 6.267595 72.90726       21.70123 51.45298       26.98303 112.2000       36.51656 29.58834 8.723597 43.86708 8.810664 -14.27874      12.39875 
1 1 1 8   4  59 o 19.12032 8.025556 9.353301       25.37216 9.353301       25.37216 0.000000       0.000000 19.12032 8.025556 ?        ?        ?              ?        
1 1 1 8   4  60 o 17.51604 7.047183 10.73690       18.51559 -9.879902      25.52282 33.64130       26.90156 15.97729 7.302867 24.59842 8.810093 -8.621133      11.44332 
1 1 1 8   4  61 o 24.60848 7.357400 34.66028       19.08654 62.71838       27.05248 6.849894       26.93280 32.37680 8.448364 18.83632 8.099309 13.54049       11.70358 
1 1 1 8   5  0  o 294.4057 5.692294 4246.092       164.0362 4341.457       236.0917 4157.089       228.0801 297.4347 8.116879 291.0560 8.013425 6.378723       11.40608 
1 1 1 8   5  1  o 438.8765 9.521167 9451.921       409.0145 9647.000       718.8027 9358.513       497.3894 441.8666 16.64906 436.2586 11.65832 5.608063       20.32505 
1 1 1 8   5  2  o 396.1699 8.639529 7697.802       335.0254 8199.000       606.5266 7477.739       401.9014 407.6705 15.22643 390.1228 10.53440 17.54770       18.51534 
1 1 1 8   5  3  o 209.0400 4.898479 2140.036       100.2298 2246.000       179.0413 2091.670       120.9602 213.8371 8.571259 206.5442 5.989384 7.292984       10.45654 
1 1 1 8   5  4  o 468.6812 10.14348 10779.60       465.3403 10240.00       777.1266 11081.22       581.0205 455.2692 17.47125 474.6965 12.51550 -19.42728      21.49145 
1 1 1 8   5  5  o 257.7538 5.867311 3254.343       148.0302 2895.000       238.2706 3480.226       188.9111 242.6971 10.05173 266.3898 7.251667 -23.69272      12.39451 
1 1 1 8   5  6  o 361.4406 6.871194 6401.057       243.0947 6304.727       340.6765 6500.989       346.9859 358.3728 9.720803 363.9087 9.750001 -5.535950      13.76795 
1 1 1 8   5  7  o 462.0175 8.661862 10465.98       391.7201 10463.46       554.0930 10468.50       553.8589 461.3787 12.28019 461.4912 12.27199 -0.1124573     17.36102 
1 1 1 8   5  8  o 96.82720 3.222643 459.4746       30.50073 512.4985       39.70091 383.1000       47.64738 102.2344 3.974895 88.26790 5.542785 13.96645       6.820723 
1 1 1 8   5  9  o 203.5413 4.837468 2028.779       96.37775 1997.643       117.4398 2093.000       168.6632 201.8557 5.950346 206.4496 8.363734 -4.593842      10.26444 
1 1 1 8   5  10 o 438.5826 9.528571 9436.047       409.0585 9394.188       499.7762 9521.000       711.9877 437.1978 11.68911 439.2099 16.59112 -2.012177      20.29533 
1 1 1 8   5  11 o 281.7679 5.501632 3888.725       151.7362 3960.320       217.7134 3821.099       211.5923 284.1253 7.835809 279.0898 7.753016 5.035553       11.02312 
1 1 1 8   5  12 o 180.1763 3.880672 1589.472       68.44014 1584.734       97.51070 1594.073       96.08304 179.7831 5.547755 180.3182 5.450040 -0.5351105     7.776922 
1 1 1 8   5  13 o 322.5485 7.187906 5099.450       226.9361 5110.809       278.4927 5077.000       391.5122 322.6639 8.826028 321.1101 12.47995 1.553802       15.28554 
1 1 1 8   5  14 o 441.0365 9.612693 9547.466       414.9787 9696.945       514.1176 9268.000       702.9683 443.9868 11.84061 432.9755 16.61779 11.01129       20.40468 
1 1 1 8   5  15 o 188.1834 4.699298 1734.504       86.56066 1685.987       104.7457 1839.000       153.7217 185.4064 5.778775 193.4498 8.136384 -8.043396      9.979729 
1 1 1 8   5  16 o 491.3663 10.66628 11870.23       513.0084 12114.85       637.3154 11420.00       864.6118 495.6503 13.14790 479.4564 18.45771 16.19394       22.66174 
1 1 1 8   5  17 o 99.17048 3.439275 482.1626       33.33479 431.7000       52.05530 517.2410       43.40104 93.67750 5.704096 102.6693 4.328413 -8.991814      7.160438 
1 1 1 8   5  18 o 343.0703 7.604600 5777.131       255.3676 5952.000       449.3101 5693.690       310.3703 346.9471 13.25489 340.2070 9.329123 6.740112       16.20878 
1 1 1 8   5  19 o 277.2146 6.319518 3769.683       171.4772 0.000000       0.000000 3769.683       171.4772 ?        ?        277.2146 6.319518 ?              ?        
1 1 1 8   5  20 f 137.3387 3.955582 924.8284       53.11983 0.000000       0.000000 924.8284       53.11983 ?        ?        137.3387 3.955582 ?              ?        
1 1 1 8   5  21 o 64.73557 4.172441 206.2029       26.29786 0.000000       0.000000 206.2029       26.29786 ?        ?        64.73557 4.172441 ?              ?        
1 1 1 8   5  22 o 253.0135 5.075138 3139.247       125.6892 3447.000       264.6159 3049.584       142.8298 264.1259 10.25474 249.2926 5.853333 14.83336       11.80768 
1 1 1 8   5  23 o 232.6779 5.477308 2656.392       124.7466 2670.000       214.0371 2649.391       153.5160 232.5081 9.424225 232.1190 6.763946 0.3890839      11.60030 
1 1 1 8   5  24 o 149.7101 4.962483 1100.604       72.61993 1025.000       96.78522 1198.000       109.8514 144.2446 6.874720 155.9188 7.217398 -11.67421      9.967577 
1 1 1 8   5  25 o 68.56058 3.353269 230.8555       22.43519 196.5210       28.56509 286.1350       36.24534 63.12973 4.655447 76.21748 4.884082 -13.08776      6.747403 
1 1 1 8   5  26 o 143.4623 3.494765 1008.574       49.07518 995.6122       67.25799 1023.332       71.76681 142.3730 4.833261 144.3158 5.088428 -1.942841      7.018013 
1 1 1 8   5  27 o 223.5329 4.614285 2451.228       100.9606 2410.979       140.2710 2494.491       145.4283 221.3430 6.481328 225.1230 6.606827 -3.780075      9.255149 
1 1 1 8   5  28 o 142.2966 5.005338 995.2056       69.60771 1038.000       100.4021 955.6000       96.58891 145.0216 7.094534 139.1288 7.116218 5.892838       10.04853 
1 1 1 8   5  29 o 76.30433 3.709107 286.1492       27.61988 288.4963       32.86058 280.5000       50.97946 76.55221 4.404008 75.13881 7.012439 1.413399       8.280675 
1 1 1 8   5  30 o 98.57805 3.216307 476.8226       30.99290 476.3549       42.27578 477.3660       45.57059 98.41935 4.399508 98.48583 4.741134 -0.6648254E-01 6.467923 
1 1 1 8   5  31 o 119.3480 3.779722 699.4786       44.09948 688.8562       52.30304 725.6000       82.01907 118.3509 4.523237 121.0794 6.949710 -2.728485      8.292053 
1 1 1 8   5  32 o 153.4949 4.221455 1157.906       63.36503 1245.706       78.79553 997.2000       106.6036 159.0685 5.067172 141.7319 7.713257 17.33661       9.228790 
1 1 1 8   5  33 o 102.2628 3.220318 513.5253       32.19445 525.9275       44.23505 499.5566       46.94539 103.3461 4.382819 100.6583 4.778360 2.687767       6.483967 
1 1 1 8   5  34 f 121.3136 3.322751 722.9219       39.41886 725.0125       54.36625 720.6047       57.23792 121.2879 4.587640 120.8691 4.847796 0.4188309      6.674397 
1 1 1 8   5  35 o 121.9305 3.346153 730.7378       39.89824 739.1613       55.19841 721.5219       57.73638 122.3967 4.615613 120.8654 4.890339 1.531296       6.724530 
1 1 1 8   5  36 o 112.7084 3.290061 624.7500       36.25779 633.1541       50.26783 615.6360       52.34793 113.2157 4.545283 111.5756 4.804444 1.640129       6.613795 
1 1 1 8   5  37 o 24.78597 6.757025 31.65539       16.83980 40.38601       22.02001 19.35636       26.13548 27.94317 7.770010 22.69721 8.585372 5.245955       11.57936 
1 1 1 8   5  38 o 127.6241 3.421582 802.3857       42.70452 829.2526       60.26113 775.2818       60.52637 129.3502 4.767687 125.0008 4.956642 4.349388       6.877437 
1 1 1 8   5  39 o 80.03072 3.395416 316.0805       26.53798 330.9111       36.60302 299.6456       38.53199 81.61182 4.600656 77.51203 5.107080 4.099785       6.873740 
1 1 1 8   5  40 o 31.81112 6.435589 52.51885       19.34983 67.64000       26.98436 36.51384       27.76180 35.83136 7.906137 27.11009 8.981013 8.721266       11.96518 
1 1 1 8   5  41 o 100.0525 3.793709 495.4754       37.08606 527.9000       59.82370 475.2367       47.26368 102.4351 5.992653 97.59586 4.963849 4.839256       7.781496 
1 1 1 8   5  42 o 37.88922 5.419142 73.13166       19.52626 75.03228       26.14298 70.73357       29.36573 37.83083 7.324689 36.40184 8.410636 1.428982       11.15302 
1 1 1 8   5  43 o 27.96218 8.650535 40.90316       26.08356 55.95000       56.24062 36.77969       29.44143 33.99466 12.64909 27.17046 9.250947 6.824205       15.67098 
1 1 1 8   5  44 o 63.59034 3.930709 201.4004       24.34670 219.0182       33.48650 181.6434       35.46117 65.89278 5.234890 59.62164 6.165190 6.271145       8.087870 
1 1 1 8   5  45 o 11.83438 5.632293 -21.62422      17.89523 -9.769049      22.26641 -43.25000      30.07338 15.38120 6.947491 14.54443 7.020597 0.8367624      9.877065 
1 1 1 8   5  46 o 25.28329 7.177703 34.14962       18.58779 66.09074       24.74735 -7.194664      28.15538 35.03769 7.445650 17.81362 7.947214 17.22407       10.89017 
1 1 1 8   5  47 o 39.21401 6.364532 80.87923       23.59267 75.60670       26.15525 103.9000       54.65243 37.45652 7.396438 41.33837 12.47058 -3.881847      14.49906 
1 1 1 8   5  48 o 68.55092 3.786109 235.2854       25.30595 239.4602       34.43394 230.3826       37.31553 68.49899 5.173913 66.85746 5.758130 1.641533       7.741152 
1 1 1 8   5  49 o 54.92413 4.241876 152.3820       22.62826 164.3883       30.78557 138.2725       33.37323 56.39924 5.652687 51.05722 6.850530 5.342026       8.881590 
1 1 1 8   5  50 o 43.90962 4.803580 98.76541       20.30929 115.0420       28.25693 81.37214       29.21012 46.70079 6.345510 38.32386 8.043572 8.376923       10.24522 
1 1 1 8   5  51 o 38.83450 5.291175 78.42815       19.59036 123.7310       27.64022 32.69843       27.77014 48.58616 5.935014 25.09937 8.955539 23.48679       10.74365 
1 1 1 8   5  52 o 49.06556 4.767378 123.5244       22.60786 130.4000       34.67850 118.4422       29.81461 48.87189 7.487453 47.04134 6.661162 1.830555       10.02163 
1 1 1 8   5  53 o 19.07846 7.044622 16.75046       17.38318 22.13737       23.54338 10.29394       25.77495 21.70865 8.162294 19.58705 8.145267 2.121595       11.53119 
1 1 1 8   5  54 o 27.36665 6.720549 41.33512       17.86886 58.99149       24.92057 22.65135       25.63536 32.19155 7.955237 22.13370 8.471637 10.05785       11.62129 
1 1 1 8   5  55 o 50.50346 4.296961 130.2634       21.04016 131.6158       28.79290 128.7137       30.82109 49.79542 6.030007 48.86461 6.613495 0.9308090      8.949821 
1 1 1 8   5  56 o 26.06609 7.502593 38.23145       20.17268 38.63000       29.54594 37.88344       27.60938 26.28313 9.250915 26.00097 8.955400 0.2821617      12.87550 
1 1 1 8   5  57 o 48.26029 5.730169 123.0605       26.54071 161.1000       36.76667 81.67000       38.35197 54.30278 7.085999 36.30176 10.31164 18.00101       12.51165 
1 1 1 8   5  58 o 73.70039 6.103323 288.6554       43.63491 285.2000       59.76516 292.6000       63.85594 70.31242 8.881593 70.49828 9.494903 -0.1858521     13.00138 
1 1 1 8   5  59 o 16.67397 6.883281 7.377695       18.22081 3.018689       25.10201 12.23216       26.49022 17.88133 7.754191 19.91416 8.267380 -2.032831      11.33477 
1 1 1 8   5  60 o 22.76193 8.189699 27.71410       23.27577 25.48011       26.57620 35.07000       48.22480 22.59466 8.631219 26.73091 11.13081 -4.136251      14.08520 
1 1 1 8   5  61 o 37.64523 5.754413 76.43673       20.53171 97.14989       29.47149 56.90358       28.61969 41.23519 7.581040 30.51609 8.980869 10.71910       11.75280 
1 1 1 8   6  0  o 401.9869 8.766938 7924.649       344.9578 8648.000       635.3326 7622.259       410.7809 418.7460 15.52734 393.9088 10.66370 24.83725       18.83648 
1 1 1 8   6  1  o 526.6011 11.35576 13617.71       585.3345 13640.00       1014.474 13606.59       716.6578 524.8772 19.78130 525.7563 13.93812 -0.8791504     24.19857 
1 1 1 8   6  2  o 208.2832 6.008385 2126.909       122.3669 2090.000       171.7051 2165.000       174.4331 206.2818 8.522213 209.9580 8.505310 -3.676224      12.04028 
1 1 1 8   6  3  o 530.9695 11.44007 13843.47       594.5719 14070.00       1041.792 13734.04       724.0771 533.1353 19.99898 528.2493 14.01598 4.886047       24.42144 
1 1 1 8   6  4  o 217.2062 4.393920 2310.079       93.41800 2266.804       131.0145 2354.836       133.2396 215.0205 6.231486 219.1602 6.217340 -4.139755      8.802655 
1 1 1 8   6  5  o 151.5797 3.397844 1124.814       50.41395 1022.535       68.49490 1245.720       74.47169 144.4215 4.852184 159.4251 4.777696 -15.00360      6.809557 
1 1 1 8   6  6  o 418.1167 7.876220 8568.905       322.3455 8669.142       459.9316 8472.137       451.9051 420.0850 11.19534 415.2905 11.12706 4.794525       15.78439 
1 1 1 8   6  7  o 383.7687 8.393218 7220.471       315.2857 7221.716       386.6068 7218.000       544.7901 383.4962 10.30852 382.7663 14.56742 0.7298889      17.84588 
1 1 1 8   6  8  o 171.9218 4.284883 1447.231       72.10678 1535.127       91.96928 1307.000       116.1661 176.9641 5.315499 163.1470 7.292779 13.81702       9.024364 
1 1 1 8   6  9  o 421.1414 9.167373 8698.987       377.9018 8526.351       456.6753 9074.000       673.0747 416.5701 11.21007 428.8737 16.06186 -12.30359      19.58695 
1 1 1 8   6  10 o 769.1790 14.27059 29111.41       1074.424 28864.13       1510.767 29364.46       1528.315 763.5848 20.23097 770.1526 20.29122 -6.567871      28.65355 
1 1 1 8   6  11 o 227.6194 4.601958 2537.158       102.5317 2556.963       146.4523 2518.119       143.5934 228.3437 6.559203 226.6067 6.480401 1.737045       9.220561 
1 1 1 8   6  12 o 136.1019 3.305599 906.8635       44.03730 861.1699       62.04308 953.2561       62.51590 132.5193 4.790967 139.4442 4.586434 -6.924835      6.632401 
1 1 1 8   6  13 o 162.4397 3.648101 1291.928       58.00497 1257.619       81.89188 1326.472       82.17165 160.1485 5.231122 164.4855 5.109932 -4.337036      7.312732 
1 1 1 8   6  14 o 243.6046 5.669979 2907.483       135.1989 2921.087       166.3392 2881.000       232.0787 244.0073 6.971577 242.0344 9.816440 1.972931       12.04016 
1 1 1 8   6  15 o 303.2610 6.820062 4508.967       202.4469 4566.731       250.0264 4399.000       344.9774 304.9455 8.384357 298.7823 11.81918 6.163208       14.49105 
1 1 1 8   6  16 o 371.6792 8.181023 6780.436       297.6337 6882.000       518.6352 6730.562       363.4377 373.1096 14.22708 369.9064 10.04695 3.203217       17.41698 
1 1 1 8   6  17 o 139.4508 3.894277 953.1744       53.10417 984.6000       89.08392 935.8515       66.14046 141.5506 6.446484 138.1156 4.900122 3.434967       8.097428 
1 1 1 8   6  18 o 38.41300 5.737672 73.93152       20.91322 0.000000       0.000000 73.93152       20.91322 ?        ?        38.41300 5.737672 ?              ?        
1 1 1 8   6  19 o 232.1199 4.706000 2640.512       106.9228 2805.000       218.9410 2588.995       122.5280 238.5782 9.393769 229.7916 5.447470 8.786575       10.85900 
1 1 1 8   6  20 o 119.7976 3.204957 703.3749       37.54795 733.4000       70.80924 691.6298       44.28716 122.1239 5.941392 118.7572 3.814833 3.366714       7.060672 
1 1 1 8   6  21 o 107.1366 3.770711 563.0462       39.48114 0.000000       0.000000 563.0462       39.48114 ?        ?        107.1366 3.770711 ?              ?        
1 1 1 8   6  22 o 219.0499 5.259655 2353.548       112.7733 0.000000       0.000000 2353.548       112.7733 ?        ?        219.0499 5.259655 ?              ?        
1 1 1 8   6  23 o 383.8680 8.490299 7257.587       319.0150 0.000000       0.000000 7257.587       319.0150 ?        ?        383.8680 8.490299 ?              ?        
1 1 1 8   6  24 o 132.2082 3.787977 857.3152       48.96930 886.0438       59.74362 798.5000       85.48303 134.3428 4.549859 127.2609 6.888113 7.081909       8.255138 
1 1 1 8   6  25 o 67.42113 3.699787 223.4438       24.32266 230.8954       28.66821 204.3000       45.95032 68.48833 4.298066 64.00191 7.475441 4.486420       8.622970 
1 1 1 8   6  26 o 136.9912 3.437619 920.2044       46.05889 938.6194       63.46608 899.7136       66.94748 138.2435 4.697017 135.3057 5.063827 2.937729       6.906830 
1 1 1 8   6  27 f 190.3202 4.720294 1777.274       87.93470 1742.541       105.9851 1854.000       157.5254 188.2473 5.758652 193.6897 8.328248 -5.442383      10.12530 
1 1 1 8   6  28 o 151.1395 5.032209 1122.758       74.34247 1030.000       98.76818 1244.000       112.9194 144.4602 7.005830 158.7390 7.286832 -14.27881      10.10839 
1 1 1 8   6  29 f 258.4983 5.188197 3282.385       131.2745 3234.123       182.6730 3333.927       188.7778 256.0301 7.296597 259.9160 7.427752 -3.885864      10.41210 
1 1 1 8   6  30 o 125.8404 3.791381 777.4450       46.64747 752.9115       55.08976 839.6000       87.68569 123.7509 4.555731 130.3217 6.898511 -6.570801      8.267052 
1 1 1 8   6  31 o 217.4253 5.226189 2324.651       111.2247 2392.387       137.7943 2198.000       188.4187 220.2193 6.399274 210.1930 9.180114 10.02626       11.19041 
1 1 1 8   6  32 o 77.06990 3.298603 291.8664       24.82649 312.6809       33.61656 266.8934       36.82189 79.66449 4.327288 73.47318 5.152680 6.191315       6.728710 
1 1 1 8   6  33 o 126.2499 4.616612 785.0760       56.95459 785.0760       56.95459 0.000000       0.000000 126.2499 4.616612 ?        ?        ?              ?        
1 1 1 8   6  34 o 43.69685 4.296477 94.82436       18.13936 97.47872       23.43713 90.85918       28.64548 44.10070 5.552197 42.21989 7.188957 1.880802       9.083390 
1 1 1 8   6  35 o 99.01508 3.222800 481.9914       31.19334 502.5289       43.10854 459.4194       45.19337 100.9156 4.374531 96.39891 4.804713 4.516724       6.497829 
1 1 1 8   6  36 o 44.65637 4.348141 99.22457       18.76571 106.1241       24.62529 89.66841       28.98098 45.96225 5.588314 41.78860 7.353556 4.173649       9.236018 
1 1 1 8   6  37 o 22.27202 6.899790 24.75669       16.58741 22.52082       21.26836 28.22835       26.50206 22.37770 7.850986 24.94116 8.762833 -2.563459      11.76542 
1 1 1 8   6  38 o 89.17013 3.305276 391.8914       28.79924 403.1218       39.59782 379.2805       41.96144 90.17350 4.500502 87.34759 4.927858 2.825912       6.673702 
1 1 1 8   6  39 o 108.8222 3.319569 583.8264       35.31810 592.4535       48.77933 574.3204       51.20349 109.2698 4.570772 107.4790 4.879824 1.790810       6.686152 
1 1 1 8   6  40 o 98.26783 3.312924 476.4900       31.82055 454.2126       43.10254 503.1756       47.17479 95.57148 4.621228 100.5374 4.807692 -4.965881      6.668557 
1 1 1 8   6  41 o 118.9220 3.882692 700.2536       45.13555 649.2000       70.36973 735.9376       58.83140 113.3955 6.365478 121.4778 4.958148 -8.082367      8.068614 
1 1 1 8   6  42 o 84.82699 3.818721 356.7435       31.62593 344.7000       47.91897 366.0379       42.09625 82.62064 5.965501 85.51975 5.051373 -2.899109      7.816878 
1 1 1 8   6  43 o 51.53549 4.381677 132.9657       21.89371 155.7591       29.77096 106.1197       32.30935 55.44808 5.560248 44.95916 7.613245 10.48891       9.427505 
1 1 1 8   6  44 o 118.5827 5.057573 705.8829       58.56945 732.3000       90.16611 686.6000       77.03471 118.7713 7.798934 115.7663 6.828596 3.004982       10.36596 
1 1 1 8   6  45 f 57.51978 5.298264 168.0536       29.49529 161.0000       56.49355 170.6969       34.58299 53.15839 11.21075 57.57873 6.235520 -4.420341      12.82819 
1 1 1 8   6  46 o 46.25287 5.682563 110.2430       25.18696 104.3304       27.89859 136.3000       58.56721 44.60270 6.588241 47.58181 12.43799 -2.979111      14.07510 
1 1 1 8   6  47 o 27.13814 6.927064 39.73230       18.46058 46.46159       24.64231 31.12546       27.86882 29.06911 8.268412 25.05157 8.967700 4.017546       12.19780 
1 1 1 8   6  48 o 64.92382 3.853832 211.3298       24.38061 209.9276       33.05435 213.0028       36.10621 64.02477 5.322505 64.22895 5.805704 -0.2041779     7.876246 
1 1 1 8   6  49 o 36.68909 5.599163 70.27456       19.47189 66.72919       26.05097 74.76288       29.31127 34.78173 7.839983 36.61104 8.363096 -1.829311      11.46328 
1 1 1 8   6  50 o 32.49182 6.194507 56.32402       18.98205 69.77672       25.58317 39.84687       28.31331 35.61855 7.571382 27.01864 9.072506 8.599911       11.81678 
1 1 1 8   6  51 o 74.00562 4.071768 276.2967       29.38171 278.5000       45.07327 274.6687       38.74504 72.74445 6.395164 72.92390 5.467816 -0.1794510     8.413984 
1 1 1 8   6  52 o 35.06401 5.678777 64.95123       18.82445 54.93151       25.34014 77.28982       28.11991 31.10997 8.205166 37.12770 7.975626 -6.017723      11.44270 
1 1 1 8   6  53 f 15.85103 6.584026 5.389512       16.81340 -25.69239      22.33589 46.03001       25.54048 13.06293 6.237935 28.36050 8.518258 -15.29757      10.55806 
1 1 1 8   6  54 f 28.22814 6.606679 43.81306       17.92964 51.27408       24.24212 34.80317       26.63981 29.94638 8.083517 25.23396 8.791263 4.712416       11.94276 
1 1 1 8   6  55 o 42.40680 4.891602 93.29931       19.93287 81.60018       26.70597 108.0142       29.95094 38.29226 7.392832 44.35340 7.141281 -6.061142      10.27871 
1 1 1 8   6  56 o 27.41281 7.359548 42.31507       20.16056 50.46978       25.41689 28.48000       33.10616 29.51326 8.398220 24.39618 9.547695 5.117086       12.71568 
1 1 1 8   6  57 o 34.54141 8.354837 69.04750       27.93650 49.41000       32.76821 121.3000       53.45190 28.92206 9.760414 42.61521 12.19599 -13.69315      15.62075 
1 1 1 8   6  58 o 76.87595 4.257682 301.4096       31.91321 366.5000       52.41173 263.0584       40.23089 82.60760 6.535104 70.52659 5.881229 12.08102       8.791840 
1 1 1 8   6  59 o 68.00139 4.707533 238.6237       31.14070 127.4000       55.03688 290.9996       37.76772 42.99054 12.39811 74.70952 5.197024 -31.71898      13.44330 
1 1 1 8   6  60 o 17.29910 7.663026 -0.9687222     25.71106 -37.73000      46.13725 15.59000       30.96491 18.70075 8.939755 21.31143 8.900119 -2.610682      12.61473 
1 1 1 8   6  61 o 51.42210 4.513283 137.0125       22.48668 161.5749       32.60509 114.7321       31.05354 54.58151 6.213352 45.11209 7.280336 9.469418       9.571261 
1 1 1 8   7  0  o 181.2542 5.440688 1610.494       96.41758 1804.000       146.8879 1464.000       127.8051 191.6857 7.845289 172.6670 7.580405 19.01872       10.90922 
1 1 1 8   7  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   7  2  o 248.4942 6.959135 3028.048       169.1024 3102.000       243.3568 2959.000       235.1482 251.2612 9.914369 245.4027 9.809167 5.858582       13.94684 
1 1 1 8   7  3  o 119.0402 4.253613 694.7176       49.48336 671.0000       70.15499 718.2000       69.80638 116.8755 6.154063 120.9435 5.914603 -4.067947      8.535515 
1 1 1 8   7  4  o 547.8502 10.21715 14726.64       547.8959 14545.88       768.3203 14913.68       781.5322 543.5983 14.45252 550.4183 14.51868 -6.820007      20.48578 
1 1 1 8   7  5  o 307.1006 6.853918 4621.025       206.0278 4668.815       254.4271 4530.000       351.1367 308.4785 8.434122 303.4855 11.84313 4.993073       14.53940 
1 1 1 8   7  6  o 342.4246 7.563293 5746.767       253.5024 5815.390       313.8648 5618.000       429.9416 344.2106 9.324216 337.8476 13.02557 6.363037       16.01894 
1 1 1 8   7  7  o 478.1056 10.35013 11217.64       484.3684 11196.51       592.9551 11260.00       839.7236 477.1608 12.70684 477.3698 18.00339 -0.2089233     22.03601 
1 1 1 8   7  8  f 502.0446 9.389619 12363.82       461.4200 12315.34       651.4044 12412.64       653.6946 500.3085 13.31352 502.2835 13.30768 -1.975067      18.82403 
1 1 1 8   7  9  o 276.7043 5.412152 3750.131       146.5859 3613.572       202.7800 3899.594       212.1444 271.4077 7.640631 281.9480 7.694183 -10.54031      10.84342 
1 1 1 8   7  10 o 388.5428 7.362586 7399.510       280.0113 7238.346       390.3498 7570.348       401.8939 383.8637 10.39850 392.5650 10.46843 -8.701233      14.75523 
1 1 1 8   7  11 o 318.1595 6.134107 4959.499       191.0303 4888.471       268.2616 5032.572       272.0946 315.5814 8.692703 320.2027 8.689410 -4.621368      12.29101 
1 1 1 8   7  12 f 85.19726 2.971386 355.7722       24.74147 306.7548       36.12413 399.0819       33.95589 79.00394 4.692490 90.19839 3.854897 -11.19444      6.072865 
1 1 1 8   7  13 o 485.6493 9.114925 11574.78       433.2934 11370.54       605.7791 11788.74       620.0075 480.5179 12.89113 489.2653 12.95773 -8.747314      18.27796 
1 1 1 8   7  14 o 125.6221 3.242717 773.1532       39.83987 752.9673       56.90765 792.5560       55.79304 123.8972 4.701015 127.1292 4.490671 -3.232010      6.501205 
1 1 1 8   7  15 o 413.8376 9.050114 8410.372       366.5981 8048.000       613.0659 8612.067       457.3815 403.1939 15.56336 418.2492 11.18219 -15.05533      19.16402 
1 1 1 8   7  16 o 219.1833 6.344055 2357.561       135.9639 2470.000       195.8703 2253.000       188.8839 224.0594 8.948980 213.9630 9.039190 10.09645       12.71972 
1 1 1 8   7  17 o 348.8611 7.725937 5974.774       263.8214 6110.000       461.8272 5909.269       321.4307 351.4396 13.45008 346.5451 9.484838 4.894501       16.45803 
1 1 1 8   7  18 o 61.73191 3.756580 187.3500       22.59164 180.5000       32.12439 194.0528       31.77725 60.42888 5.490948 62.70211 5.225041 -2.273228      7.579681 
1 1 1 8   7  19 o 34.26823 4.705746 58.63071       15.36794 53.55000       22.95310 62.75885       20.68979 32.37919 7.403720 35.24765 6.224327 -2.868454      9.672503 
1 1 1 8   7  20 o 287.0399 5.626842 4041.532       158.0932 4090.000       315.2201 4025.243       182.7374 287.5753 11.21994 286.3498 6.519652 1.225464       12.97663 
1 1 1 8   7  21 o 63.90221 3.272736 200.5401       20.40254 234.1000       33.61321 180.9631       25.67270 68.91297 5.017512 60.60743 4.356589 8.305542       6.644945 
1 1 1 8   7  22 o 110.5455 3.849841 599.5500       41.59362 0.000000       0.000000 599.5500       41.59362 ?        ?        110.5455 3.849841 ?              ?        
1 1 1 8   7  23 o 101.0287 3.843316 500.9288       37.93712 0.000000       0.000000 500.9288       37.93712 ?        ?        101.0287 3.843316 ?              ?        
1 1 1 8   7  24 o 275.4230 6.313683 3727.062       170.2116 3849.000       299.0268 3668.616       207.0232 278.5884 10.98736 272.8766 7.758674 5.711823       13.45062 
1 1 1 8   7  25 o 146.8347 3.511534 1056.552       50.46984 1063.870       69.19749 1048.235       73.77222 147.1818 4.809651 146.0559 5.168358 1.125916       7.060075 
1 1 1 8   7  26 o 204.4739 4.948208 2051.737       99.03577 2124.057       122.9304 1918.000       167.1697 207.8213 6.049585 196.9592 8.692532 10.86214       10.59045 
1 1 1 8   7  27 o 271.4888 6.211331 3623.802       165.0604 3526.366       197.8347 3847.000       299.4249 267.4149 7.565670 278.1583 11.01920 -10.74344      13.36645 
1 1 1 8   7  28 o 170.9836 3.846800 1433.602       64.38139 1420.495       88.49493 1448.339       93.83786 169.9667 5.325797 171.5847 5.594668 -1.617981      7.724275 
1 1 1 8   7  29 o 42.90577 5.233100 91.77098       21.52347 89.50218       23.54622 103.3000       53.07863 42.26721 5.847786 44.71293 11.91362 -2.445724      13.27144 
1 1 1 8   7  30 o 172.3821 4.435293 1459.898       74.77558 1420.248       89.28938 1553.000       136.8236 169.8707 5.376782 177.0695 7.914257 -7.198746      9.567928 
1 1 1 8   7  31 o 188.0867 4.090723 1736.684       75.31202 1726.423       104.5165 1747.766       108.6163 187.1735 5.711401 188.2847 5.900792 -1.111160      8.212152 
1 1 1 8   7  32 o 125.3104 3.326824 770.8676       40.76982 795.0539       56.60509 744.7956       58.77032 127.0937 4.557525 122.9518 4.893111 4.141853       6.686821 
1 1 1 8   7  33 o 165.5885 3.772453 1346.754       61.14491 1358.469       85.47841 1334.479       87.50099 165.9443 5.269126 164.4271 5.444182 1.517227       7.576464 
1 1 1 8   7  34 o 160.0727 5.191091 1265.403       81.22832 1265.403       81.22832 0.000000       0.000000 160.0727 5.191091 ?        ?        ?              ?        
1 1 1 8   7  35 o 56.44508 3.737460 157.3721       20.53318 162.6115       27.17456 150.4003       31.34692 57.19612 4.901085 54.78728 5.940264 2.408836       7.701128 
1 1 1 8   7  36 o 26.40452 6.560756 36.07146       16.88163 22.15440       21.36597 59.19598       27.54136 22.31807 7.865813 33.65001 8.390815 -11.33195      11.50116 
1 1 1 8   7  37 o 21.87489 6.890448 23.70936       16.47056 8.836240       21.02601 47.33023       26.49744 18.73034 7.518754 30.17333 8.571169 -11.44299      11.40160 
1 1 1 8   7  38 o 33.79180 5.701724 58.35157       18.18877 64.39954       24.10667 50.35775       27.71468 35.16865 7.244112 30.98926 8.753264 4.179384       11.36208 
1 1 1 8   7  39 o 97.57231 3.315424 469.5529       31.61845 477.6581       43.81440 460.7451       45.67403 98.07233 4.576818 96.22590 4.864996 1.846436       6.679480 
1 1 1 8   7  40 o 16.26540 6.630067 5.564931       16.63426 22.73304       21.58651 -19.53236      26.09965 22.35714 7.903930 15.67525 7.244672 6.681890       10.72182 
1 1 1 8   7  41 o 16.43924 6.644267 6.465410       16.54162 -5.667936      21.13142 25.66588       26.58241 15.71858 6.955788 24.06167 8.739187 -8.343093      11.16944 
1 1 1 8   7  42 o 43.92820 5.196404 97.67988       21.91145 109.8000       30.80951 85.27562       31.16855 46.00842 7.066983 40.04856 8.226492 5.959854       10.84516 
1 1 1 8   7  43 o 70.73304 4.502621 250.0389       31.01227 279.1000       42.39819 216.6000       45.47972 74.21785 5.884363 64.71799 7.306990 9.499855       9.381782 
1 1 1 8   7  44 o 26.80430 7.323777 38.22158       19.75723 49.15000       27.03922 25.70326       28.93935 30.17385 8.686509 24.28113 9.065948 5.892719       12.55575 
1 1 1 8   7  45 o 65.34292 6.915296 222.0523       43.55946 214.1000       58.97274 231.6000       64.61838 62.24011 10.02009 64.33408 10.63254 -2.093964      14.61004 
1 1 1 8   7  46 o 60.20884 5.154593 184.5728       30.08614 157.5000       57.88865 194.5918       35.21590 51.65546 11.71908 61.45713 5.927562 -9.801670      13.13289 
1 1 1 8   7  47 o 47.91625 4.512582 116.3712       20.91560 106.3003       27.87535 129.3454       31.63910 44.95107 6.525954 49.57474 6.690801 -4.623672      9.346384 
1 1 1 8   7  48 o 35.01668 5.884718 64.43087       19.45536 86.50961       26.31033 37.79250       28.89967 40.21890 6.933609 26.69707 9.163486 13.52184       11.49106 
1 1 1 8   7  49 o 84.80144 3.520732 359.0975       29.16062 381.9065       40.92367 335.5709       41.56245 86.69916 4.841523 80.97746 5.272280 5.721695       7.158022 
1 1 1 8   7  50 o 31.43810 6.862800 53.74586       20.52458 49.06000       30.04894 57.84394       28.10115 29.42353 9.312009 31.88877 8.743092 -2.465239      12.77322 
1 1 1 8   7  51 o 53.25532 4.220230 143.8209       21.81938 96.44434       28.89008 206.7276       33.29010 42.08553 7.276256 63.22436 5.431882 -21.13883      9.080157 
1 1 1 8   7  52 o 68.89525 3.766075 238.9525       25.30054 235.2039       34.55738 243.2831       37.14311 67.46098 5.275298 68.39092 5.597399 -0.9299393     7.691530 
1 1 1 8   7  53 o 26.20025 7.012053 38.05983       18.33685 37.82158       23.90425 38.40046       28.58288 25.98307 8.314997 26.31042 9.109633 -0.3273487     12.33388 
1 1 1 8   7  54 o 43.27354 4.805458 96.80387       20.01184 100.8161       26.91002 91.83973       29.93270 43.22712 6.566158 40.45092 7.842963 2.776203       10.22871 
1 1 1 8   7  55 o 20.20712 7.453734 19.49227       19.45229 6.415627       23.97257 44.70000       33.28383 18.27648 7.742942 27.88430 9.818314 -9.607821      12.50410 
1 1 1 8   7  56 o 36.95916 6.762818 74.83506       23.56431 62.69579       26.44647 121.6000       51.90767 32.96848 8.223181 42.98896 11.92062 -10.02048      14.48178 
1 1 1 8   7  57 o 54.02851 4.390115 149.4870       23.01706 164.7203       31.43139 131.8716       33.79955 55.81351 5.839644 48.90514 7.282537 6.908371       9.334709 
1 1 1 8   7  58 o 56.63673 4.234869 163.9183       23.30713 167.5275       32.34252 160.0190       33.61692 56.11784 5.979997 54.50850 6.423908 1.609348       8.776501 
1 1 1 8   7  59 o 35.40661 6.576475 68.98141       21.95324 46.92000       34.38432 84.16324       28.52369 28.07850 9.970732 38.34940 7.862941 -10.27090      12.69808 
1 1 1 8   7  60 o 25.39508 7.726567 37.15009       20.91809 49.72000       33.39809 29.03613       26.83316 28.48632 9.847891 23.38227 8.729915 5.104055       13.16026 
1 1 1 8   7  61 o 21.39381 9.826632 -5.725000      46.97670 -5.725000      46.97670 0.000000       0.000000 21.39381 9.826632 ?        ?        ?              ?        
1 1 1 8   8  0  o 392.4156 10.53074 7562.427       404.1277 8197.000       604.6223 7050.000       543.3249 407.8204 15.17284 378.2538 14.70273 29.56659       21.12783 
1 1 1 8   8  1  o 278.7139 7.699082 3810.276       209.8396 3866.000       300.1485 3757.000       293.4800 280.4298 10.95575 276.4523 10.86673 3.977539       15.43095 
1 1 1 8   8  2  o 378.3860 8.299632 7019.146       307.3973 7398.406       390.4727 6401.000       498.5024 388.1624 10.28618 360.4836 14.15535 27.67880       17.49798 
1 1 1 8   8  3  o 344.0602 6.573548 5799.770       221.3811 6043.048       322.2067 5582.229       304.6877 350.8818 9.389835 337.2441 9.238759 13.63770       13.17284 
1 1 1 8   8  4  o 120.6317 3.554433 713.0392       41.92414 684.1392       51.17765 772.0000       73.09912 118.1195 4.434291 125.3966 5.972696 -7.277069      7.438819 
1 1 1 8   8  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   8  6  o 493.0926 10.67384 11934.69       515.1757 12320.87       646.0001 11260.00       853.8754 500.4462 13.19922 477.2495 18.31257 23.19672       22.57365 
1 1 1 8   8  7  o 132.0471 3.197290 853.5937       41.32541 821.1272       58.80385 885.2751       58.08863 129.4087 4.649887 134.3861 4.422036 -4.977386      6.416841 
1 1 1 8   8  8  o 371.3577 7.060581 6758.430       256.6487 6726.120       362.2624 6790.988       363.6538 370.0835 10.00959 371.8664 9.999756 -1.782837      14.14874 
1 1 1 8   8  9  o 140.0662 3.333652 960.4573       45.70459 919.4074       64.83149 1001.016       64.44238 136.9311 4.844651 142.8984 4.613256 -5.967239      6.689751 
1 1 1 8   8  10 o 416.1106 7.864566 8489.424       320.3242 8509.646       454.4596 8469.458       451.5679 416.0762 11.16887 415.0991 11.12389 0.9771118      15.76339 
1 1 1 8   8  11 o 146.4134 3.446862 1049.534       49.39817 977.8881       69.09573 1124.438       70.64932 141.2105 5.006865 151.4477 4.771792 -10.23718      6.916552 
1 1 1 8   8  12 o 267.6280 5.278630 3508.649       138.2799 3531.017       197.1811 3487.003       193.9729 268.2479 7.517113 266.5766 7.441113 1.671265       10.57720 
1 1 1 8   8  13 o 256.0991 5.093861 3212.959       127.6913 3164.930       179.8114 3261.821       181.3641 253.9519 7.241078 257.8175 7.193784 -3.865555      10.20704 
1 1 1 8   8  14 o 26.76211 6.863861 36.45757       18.06537 29.08000       25.36410 44.05340       25.73654 25.32121 8.586987 29.61266 8.458850 -4.291452      12.05357 
1 1 1 8   8  15 o 341.3616 7.579195 5717.955       253.2468 0.000000       0.000000 5717.955       253.2468 ?        ?        341.3616 7.579195 ?              ?        
1 1 1 8   8  16 o 110.8471 3.569709 602.3560       38.68090 504.2000       58.33178 679.3929       51.67691 101.2384 5.912179 117.6753 4.494735 -16.43687      7.426743 
1 1 1 8   8  17 o 127.2112 3.752103 793.3226       46.66933 812.9000       76.55581 781.7442       58.87389 128.5995 6.099190 126.2133 4.774139 2.386192       7.745484 
1 1 1 8   8  18 o 251.7327 5.810419 3108.008       143.1704 3171.000       247.5903 3076.363       175.4850 253.5492 9.995787 250.2066 7.172712 3.342545       12.30299 
1 1 1 8   8  19 o 36.41116 5.171282 66.30070       17.91285 76.84000       23.76800 52.44381       27.25335 39.05767 6.441335 32.09256 8.530308 6.965111       10.68910 
1 1 1 8   8  20 o 196.3351 4.156716 1889.018       79.88304 1912.000       156.1963 1880.878       92.96006 197.0020 8.117554 195.8658 4.848769 1.136154       9.455435 
1 1 1 8   8  21 f 25.03589 6.125500 31.99765       14.88602 47.15000       20.95754 16.56897       21.14778 30.37033 7.166332 20.92973 7.762434 9.440599       10.56464 
1 1 1 8   8  22 o 145.1989 4.019372 1034.089       57.07026 1013.000       92.29231 1047.146       72.61848 143.4422 6.590899 146.0172 5.088633 -2.575073      8.326713 
1 1 1 8   8  23 o 268.4219 6.202063 3539.236       162.9522 0.000000       0.000000 3539.236       162.9522 ?        ?        268.4219 6.202063 ?              ?        
1 1 1 8   8  24 o 279.0383 6.412397 3826.590       175.1420 0.000000       0.000000 3826.590       175.1420 ?        ?        279.0383 6.412397 ?              ?        
1 1 1 8   8  25 f 167.2910 5.346479 1375.281       87.43566 1402.000       123.0131 1348.000       124.3024 168.5852 7.473195 165.2589 7.705586 3.326294       10.73428 
1 1 1 8   8  26 o 250.3934 5.047789 3077.396       123.7172 3148.094       175.4266 3007.441       174.5022 252.7978 7.096529 247.0523 7.223915 5.745514       10.12648 
1 1 1 8   8  27 o 230.0891 4.719334 2598.192       106.2877 2575.143       147.5089 2623.082       153.2843 228.6711 6.597127 230.7483 6.794011 -2.077164      9.469988 
1 1 1 8   8  28 o 106.6704 3.663194 558.5557       38.19135 537.3694       43.42499 630.9000       80.24436 104.5703 4.251398 112.8981 7.300566 -8.327789      8.448234 
1 1 1 8   8  29 o 129.3518 3.886300 821.4835       49.14986 815.0679       57.62953 838.6000       94.13130 128.7659 4.579625 130.1543 7.419456 -1.388382      8.719019 
1 1 1 8   8  30 o 206.5596 4.348618 2094.896       87.92309 2090.555       122.4851 2099.510       126.2861 205.9418 6.082871 206.3396 6.259929 -0.3977814     8.728576 
1 1 1 8   8  31 o 153.7072 3.618475 1159.237       54.44098 1112.206       73.38631 1216.796       81.18543 150.3020 4.995143 157.1630 5.284938 -6.861023      7.272003 
1 1 1 8   8  32 o 93.76964 3.158844 431.8008       28.95185 444.5919       39.11421 416.3007       43.05744 95.02486 4.215738 91.86172 4.805296 3.163147       6.392442 
1 1 1 8   8  33 o 111.9681 3.249079 615.8149       35.57141 592.3638       47.80569 644.9047       53.24370 109.6351 4.464090 114.3471 4.767497 -4.712051      6.531243 
1 1 1 8   8  34 f 65.18766 3.469949 209.3502       22.06110 174.3574       28.40291 262.5657       35.02617 59.25765 4.941743 72.80021 4.944687 -13.54256      6.990762 
1 1 1 8   8  35 o 66.88816 4.537580 221.6321       29.53257 221.6321       29.53257 0.000000       0.000000 66.88816 4.537580 ?        ?        ?              ?        
1 1 1 8   8  36 o 24.85979 6.572086 31.90664       16.23263 44.55053       20.88794 12.62717       25.79305 29.27194 7.312048 21.09081 8.373626 8.181137       11.11682 
1 1 1 8   8  37 o 40.99562 4.727885 84.22398       18.62478 87.38317       24.17417 79.60995       29.21484 41.44714 6.144487 39.07794 7.909523 2.369198       10.01575 
1 1 1 8   8  38 o 42.79824 4.473861 91.61441       18.46541 87.32376       24.03305 97.79739       28.85001 41.38763 6.116426 43.59983 6.996728 -2.212196      9.293270 
1 1 1 8   8  39 o 25.54074 6.658149 34.00557       16.81301 34.63294       21.65369 33.05317       26.67975 25.95897 7.853612 26.05997 8.807076 -0.1009941     11.80016 
1 1 1 8   8  40 f 87.15702 3.385281 375.2473       28.82549 399.7364       39.97755 348.7280       41.60175 89.62340 4.572208 83.51882 5.113374 6.104576       6.859423 
1 1 1 8   8  41 o 51.15204 4.177616 130.5313       20.73490 135.9298       27.49866 123.4169       31.56783 51.85458 5.501586 48.98388 6.764297 2.870701       8.719127 
1 1 1 8   8  42 o 54.80725 4.404959 150.2359       23.43237 137.3490       28.46969 177.3000       41.25784 52.01434 5.684250 58.51878 7.365667 -6.504444      9.303964 
1 1 1 8   8  43 o 46.86205 4.503468 110.3388       20.40333 96.73499       26.15208 131.4989       32.61637 43.28629 6.362004 50.43311 6.778632 -7.146820      9.296501 
1 1 1 8   8  44 o 44.20476 6.330716 101.2359       26.61124 95.10000       29.70214 126.2000       59.91076 42.39465 7.428253 46.22927 12.80189 -3.834629      14.80092 
1 1 1 8   8  45 o 29.75407 6.888493 47.34582       19.66584 47.78000       26.89796 46.84719       28.82535 29.60113 8.705189 29.37113 9.095080 0.2299995      12.58971 
1 1 1 8   8  46 o 38.89712 5.333451 78.01714       19.77220 75.11577       26.22238 81.84041       30.10148 37.31438 7.440557 38.63628 8.212775 -1.321899      11.08204 
1 1 1 8   8  47 o 50.81358 5.688651 133.4107       27.80901 89.61000       52.79961 150.2255       32.71426 38.38326 12.36503 53.61650 6.357067 -15.23325      13.90347 
1 1 1 8   8  48 o 29.75862 6.604630 47.68073       18.73592 42.22300       24.55318 55.28863       28.98907 27.68371 8.360226 31.30336 8.988846 -3.619652      12.27570 
1 1 1 8   8  49 o 63.08597 3.868268 199.9424       23.77182 178.6984       31.93909 226.3266       35.59396 58.79000 5.618524 66.26295 5.538425 -7.472946      7.889358 
1 1 1 8   8  50 o 46.43589 4.657647 110.2273       20.88476 105.6552       28.05744 115.9081       31.27485 44.50986 6.643051 46.38823 7.114468 -1.878372      9.733744 
1 1 1 8   8  51 o 98.80978 3.467029 488.2302       33.48036 481.3494       45.97946 495.9962       48.84733 97.12714 4.851703 98.39700 5.088982 -1.269867      7.031128 
1 1 1 8   8  52 o 19.44750 6.972073 18.25232       16.85212 12.70946       22.12930 25.90446       26.00113 19.18126 7.708741 23.04112 8.595301 -3.859863      11.54573 
1 1 1 8   8  53 o 43.08066 4.792475 95.92067       19.86750 103.9224       26.33400 85.34899       30.26894 44.06657 6.282954 38.70975 8.241548 5.356815       10.36333 
1 1 1 8   8  54 o 40.62262 5.490359 86.79135       21.27269 88.64389       25.95462 83.00000       37.13029 40.34364 6.815042 36.97508 10.01411 3.368557       12.11310 
1 1 1 8   8  55 o 18.93292 7.197810 15.67376       18.42595 33.62695       23.73166 -11.57723      29.23805 24.68195 8.306211 17.07825 7.809970 7.603695       11.40126 
1 1 1 8   8  56 o 67.85123 3.828873 232.8412       25.32615 230.0238       34.15582 236.2819       37.74583 66.47533 5.292936 66.97053 5.815700 -0.4952011     7.863684 
1 1 1 8   8  57 o 16.01759 6.777353 4.161940       18.32762 12.76781       24.73121 -6.321923      27.29660 19.67091 8.059004 17.13369 7.719920 2.537228       11.15996 
1 1 1 8   8  58 o 26.10878 7.247578 38.43347       19.17629 44.92737       26.46870 31.25930       27.82051 27.74665 8.734244 24.25914 8.919900 3.487514       12.48406 
1 1 1 8   8  59 o 23.56926 7.383507 31.12229       18.93759 14.64811       26.39001 48.61243       27.19156 20.29381 8.320748 28.58962 8.830253 -8.295815      12.13294 
1 1 1 8   8  60 o 18.83744 7.431732 14.69866       20.19807 12.85000       32.29955 15.88579       25.88317 21.02865 8.951304 20.30368 8.272538 0.7249756      12.18855 
1 1 1 8   9  0  o 390.1540 10.47298 7476.062       399.5946 7662.000       575.5270 7303.000       555.2429 394.2695 14.94007 384.9409 14.76347 9.328552       21.00395 
1 1 1 8   9  1  o 447.5021 9.717542 9824.606       425.6550 10065.33       530.3851 9389.000       713.4692 452.5104 11.98503 436.1205 16.74442 16.38992       20.59166 
1 1 1 8   9  2  o 164.5590 4.206488 1326.785       67.70042 1254.000       80.96175 1496.000       123.4461 159.9314 5.178606 174.5675 7.240214 -14.63608      8.901609 
1 1 1 8   9  3  o 337.8955 9.197105 5604.189       303.9035 5604.189       303.9035 0.000000       0.000000 337.8955 9.197105 ?        ?        ?              ?        
1 1 1 8   9  4  o 442.6371 9.618684 9612.267       416.7444 9687.757       513.7410 9467.000       712.6575 443.9400 11.83317 437.9109 16.65640 6.029053       20.43183 
1 1 1 8   9  5  o 88.36268 3.426428 382.8261       29.57963 340.4139       36.60777 462.6000       50.20630 83.25556 4.508971 97.04106 5.305814 -13.78550      6.962936 
1 1 1 8   9  6  o 215.1729 4.402877 2267.146       92.73215 2145.163       127.6883 2403.284       134.8943 209.1559 6.243978 221.3935 6.230957 -12.23763      8.821115 
1 1 1 8   9  7  o 458.4624 8.612011 10308.13       386.4689 10267.86       545.4419 10348.73       547.6639 456.9303 12.20623 458.7271 12.20787 -1.796753      17.26337 
1 1 1 8   9  8  o 562.2196 10.48768 15518.91       577.1537 15491.03       815.4938 15546.89       816.9453 560.6270 14.87388 561.6378 14.87349 -1.010803      21.03457 
1 1 1 8   9  9  o 189.5824 4.025596 1759.881       74.70238 1716.404       105.6196 1803.399       105.6707 187.0892 5.774435 191.7850 5.635146 -4.695709      8.068393 
1 1 1 8   9  10 o 327.0013 6.294023 5239.832       201.4577 5109.984       280.9044 5377.349       289.0800 322.6008 8.904355 330.9356 8.932349 -8.334808      12.61247 
1 1 1 8   9  11 o 389.5137 7.394223 7439.194       281.9171 7238.048       391.6075 7655.581       406.1733 383.7195 10.43601 394.6252 10.52467 -10.90561      14.82157 
1 1 1 8   9  12 o 534.0948 10.00043 14012.97       522.8094 14236.54       748.8313 13800.36       730.2473 537.1249 14.25564 528.8683 14.11903 8.256592       20.06415 
1 1 1 8   9  13 o 428.7581 9.361314 9029.773       392.8759 8417.000       645.3005 9390.691       495.2402 412.2153 16.02358 436.6690 11.59690 -24.45377      19.77987 
1 1 1 8   9  14 o 432.7732 9.447490 9203.662       400.2055 0.000000       0.000000 9203.662       400.2055 ?        ?        432.7732 9.447490 ?              ?        
1 1 1 8   9  15 o 120.8066 3.145344 715.1002       37.16168 610.3000       66.52747 762.6312       44.80318 111.3970 6.124854 124.7338 3.673600 -13.33677      7.142070 
1 1 1 8   9  16 o 362.6126 6.926101 6452.457       245.8317 6005.000       465.7272 6625.278       289.4383 348.2023 13.69119 367.2641 8.051397 -19.06180      15.88312 
1 1 1 8   9  17 o 272.6722 5.370129 3645.326       143.3283 3596.000       281.2203 3662.635       166.5886 269.9044 10.66563 273.2343 6.228790 -3.329895      12.35125 
1 1 1 8   9  18 o 221.1753 5.242424 2398.665       113.4946 2409.000       192.8003 2393.185       140.3979 221.0784 8.927900 220.7152 6.505733 0.3631897      11.04681 
1 1 1 8   9  19 o 160.6264 4.221075 1265.264       66.30859 1312.000       111.9260 1239.990       82.30753 163.2836 7.019362 158.9208 5.298590 4.362854       8.794685 
1 1 1 8   9  20 o 61.21893 3.782089 184.3266       22.55267 166.2000       30.60100 205.8779       33.36678 57.95123 5.459002 64.56802 5.326817 -6.616783      7.627298 
1 1 1 8   9  21 f 240.8318 5.620321 2846.412       132.4894 2828.000       224.3215 2856.276       164.1859 239.2355 9.598907 240.9718 6.968185 -1.736359      11.86148 
1 1 1 8   9  22 o 205.2017 4.319138 2064.392       86.75296 2163.000       172.7286 2031.126       100.3246 209.3667 8.445839 203.4782 5.037134 5.888489       9.833865 
1 1 1 8   9  23 o 98.53361 3.663974 476.4555       35.27653 496.4000       53.12014 460.7201       47.18301 100.4191 5.424399 96.77604 4.997874 3.643097       7.375829 
1 1 1 8   9  24 o 198.9434 4.854052 1941.842       94.52359 1947.000       159.5562 1939.053       117.3284 198.5806 8.226446 198.5744 6.043375 0.6210327E-02  10.20768 
1 1 1 8   9  25 o 172.7396 5.473005 1466.681       92.42204 1653.000       136.9845 1311.000       125.2159 183.0259 7.663279 162.9204 7.875280 20.10548       10.98844 
1 1 1 8   9  26 o 178.1826 5.667910 1561.372       98.72833 1519.000       133.8102 1612.000       146.2656 175.3638 7.815120 180.5584 8.298143 -5.194641      11.39892 
1 1 1 8   9  27 o 162.0554 5.403589 1291.660       85.59418 1281.000       116.8574 1304.000       125.7254 161.0309 7.433856 162.3687 7.934717 -1.337814      10.87299 
1 1 1 8   9  28 o 252.4502 5.090024 3130.551       125.7772 3227.042       179.0271 3036.502       176.7464 255.7560 7.158369 248.0485 7.287504 7.707504       10.21518 
1 1 1 8   9  29 o 186.9336 4.052271 1714.745       74.14674 1715.691       102.8310 1713.719       107.0126 186.6717 5.634257 186.5169 5.868827 0.1547852      8.135600 
1 1 1 8   9  30 o 162.3174 3.713540 1292.682       59.00098 1219.368       78.98785 1385.220       88.74118 157.3859 5.134165 167.7056 5.413033 -10.31970      7.460602 
1 1 1 8   9  31 o 58.57497 3.520871 168.9585       20.09366 167.5979       25.26217 171.3020       33.15358 58.22835 4.466404 58.66724 5.851314 -0.4388924     7.361157 
1 1 1 8   9  32 o 89.48323 3.159582 393.3374       27.63093 350.1812       35.65063 458.2605       43.72653 84.28261 4.335959 96.39801 4.647852 -12.11540      6.356341 
1 1 1 8   9  33 o 70.70261 3.241619 245.9066       22.37415 223.1111       28.70642 281.1864       35.71230 67.19038 4.388836 75.38640 4.865688 -8.196022      6.552618 
1 1 1 8   9  34 o 96.99480 3.216063 462.5740       30.49147 465.1932       40.74173 459.2390       45.97366 97.09408 4.297520 96.35310 4.890574 0.7409744      6.510483 
1 1 1 8   9  35 o 83.40466 3.223954 342.3632       26.27040 330.2151       34.66999 358.7417       40.25676 81.72118 4.349910 85.08357 4.853920 -3.362389      6.517841 
1 1 1 8   9  36 o 109.0545 3.687819 586.2984       39.30920 583.4250       47.43215 592.6000       70.24205 108.6022 4.471547 108.7702 6.629002 -0.1679840     7.996149 
1 1 1 8   9  37 o 45.98378 4.265005 105.3473       18.97810 111.9191       24.69238 95.86234       29.66477 47.15454 5.449934 43.11434 7.288839 4.040199       9.101041 
1 1 1 8   9  38 o 14.00338 6.111481 -2.730479      15.80338 -1.580757      19.82649 -4.733640      26.17023 15.99300 6.913375 17.85329 7.826346 -1.860288      10.44253 
1 1 1 8   9  39 o 89.10626 3.348502 391.9611       29.15356 408.6265       40.13611 373.3476       42.41711 90.66120 4.537222 86.49340 5.031891 4.167801       6.775419 
1 1 1 8   9  40 o 69.90967 3.573740 241.9747       24.37379 245.9639       32.78743 237.0472       36.44077 70.16351 4.803050 68.66703 5.466770 1.496483       7.277009 
1 1 1 8   9  41 o 25.92356 7.142020 35.24312       18.70011 51.81075       22.92360 2.287000       32.33112 31.26850 7.571359 20.85017 8.917772 10.41833       11.69838 
1 1 1 8   9  42 o 42.88234 4.774881 92.76880       19.70274 100.4063       25.64093 81.75754       30.78755 44.24312 6.081557 39.10878 8.299728 5.134346       10.28936 
1 1 1 8   9  43 o 30.60746 7.124393 49.78080       20.94298 51.45289       22.67963 40.10000       54.57095 31.02881 7.541950 31.03177 12.22395 -0.2960205E-02 14.36335 
1 1 1 8   9  44 o 56.13559 3.972934 157.5415       21.68907 158.3722       28.67411 156.4306       33.15812 55.82896 5.311059 55.09624 6.259204 0.7327232      8.208836 
1 1 1 8   9  45 o 33.06858 6.532405 57.96791       20.39407 74.68000       28.57468 40.61654       29.11608 37.00343 8.113262 27.68021 9.198373 9.323221       12.26520 
1 1 1 8   9  46 o 42.62378 5.263769 93.36688       21.49502 113.4000       31.37501 75.64709       29.50794 46.16889 7.175636 37.03590 8.340910 9.132984       11.00275 
1 1 1 8   9  47 o 50.02045 4.782858 127.4599       23.13268 145.2000       33.59528 111.4654       31.89964 52.48433 6.691424 45.52831 7.412904 6.956017       9.986306 
1 1 1 8   9  48 o 16.09370 7.201179 -6.482669      23.29919 -50.85000      46.36626 8.505034       26.94871 18.53761 8.888512 19.83048 8.293810 -1.292875      12.15701 
1 1 1 8   9  49 f 42.47558 6.612371 96.06870       26.59733 45.82000       49.88587 116.0256       31.43848 30.01081 11.72741 46.46226 7.141019 -16.45144      13.73049 
1 1 1 8   9  50 o 46.62075 4.544122 110.9627       20.47363 100.9866       27.10508 124.2162       31.24170 43.50404 6.569778 48.18342 6.814098 -4.679386      9.465406 
1 1 1 8   9  51 o 30.97081 6.217293 51.60844       18.19220 49.56975       23.60010 54.59381       28.55858 29.67217 7.961095 30.78649 8.946598 -1.114317      11.97584 
1 1 1 8   9  52 o 32.28555 6.014066 55.95468       18.30652 85.89722       24.11913 15.26342       28.11692 39.98306 6.376873 21.08737 8.610681 18.89569       10.71486 
1 1 1 8   9  53 o 48.97624 4.697228 123.5270       22.24248 128.7314       27.27724 113.2000       38.42419 49.41697 5.746255 43.95257 9.225760 5.464401       10.86895 
1 1 1 8   9  54 o 35.83069 5.678542 68.17202       19.25251 75.56853       25.61657 58.57094       29.18552 36.85761 7.358327 31.55175 9.006229 5.305859       11.63001 
1 1 1 8   9  55 o 44.72958 5.799363 106.0529       24.79395 94.96868       27.83686 148.6000       54.53834 41.52801 7.103269 47.98100 11.71579 -6.452991      13.70096 
1 1 1 8   9  56 o 70.03510 4.318097 250.2711       29.45761 305.3000       46.32625 212.9178       38.16771 75.68368 6.310818 63.18365 6.253354 12.50003       8.884304 
1 1 1 8   9  57 o 18.01640 7.085008 12.61153       18.30527 13.48032       24.74423 11.56130       27.20559 19.79450 8.079651 19.98807 8.344539 -0.1935730     11.61517 
1 1 1 8   9  58 o 21.10786 7.299119 23.37601       18.34797 24.27927       25.03783 22.32835       26.96513 22.24207 8.405412 22.09271 8.625347 0.1493530      12.04357 
1 1 1 8   9  59 o 21.52049 7.367820 24.89435       18.68006 20.27403       26.20174 29.67013       26.63888 21.38253 8.455520 23.58607 8.718608 -2.203539      12.14537 
1 1 1 8   9  60 o 42.52694 5.073300 95.43200       20.70240 81.88956       29.25079 109.0242       29.30452 37.24879 8.241188 44.13124 7.018740 -6.882442      10.82497 
1 1 1 8   10 0  o 333.0904 6.391111 5435.971       208.3746 5572.829       300.4402 5309.117       289.2505 336.9436 9.117882 328.8821 8.993639 8.061523       12.80708 
1 1 1 8   10 1  f 219.9968 5.185031 2370.410       111.6539 2490.727       141.6501 2173.000       181.4416 225.3759 6.427571 210.3079 8.833710 15.06796       10.92466 
1 1 1 8   10 2  o 616.0146 16.32624 18718.94       983.5591 18718.94       983.5591 0.000000       0.000000 616.0146 16.32624 ?        ?        ?              ?        
1 1 1 8   10 3  o 320.8711 8.774704 5053.287       275.3350 5053.287       275.3350 0.000000       0.000000 320.8711 8.774704 ?        ?        ?              ?        
1 1 1 8   10 4  o 234.7941 6.728658 2703.659       154.4805 2703.659       154.4805 0.000000       0.000000 234.7941 6.728658 ?        ?        ?              ?        
1 1 1 8   10 5  o 159.0040 5.138850 1239.567       79.87476 1210.000       114.0800 1268.000       111.8723 156.9378 7.447609 160.6880 7.130427 -3.750290      10.31067 
1 1 1 8   10 6  f 459.4601 8.639340 10354.13       388.5390 10093.54       540.0175 10633.82       559.4518 452.9938 12.19002 464.9462 12.30370 -11.95242      17.31986 
1 1 1 8   10 7  o 290.0232 5.652597 4120.574       160.4675 4057.070       225.4259 4185.807       228.4753 287.5294 8.017510 292.0608 7.999614 -4.531403      11.32582 
1 1 1 8   10 8  o 84.14767 3.083980 347.1136       25.35856 316.0891       38.73041 370.3934       33.54975 80.18134 4.959102 86.88380 3.955350 -6.702454      6.343303 
1 1 1 8   10 9  o 357.1482 6.823285 6252.267       238.5328 6290.611       339.3661 6214.826       335.3426 357.8328 9.698014 355.6771 9.641118 2.155670       13.67489 
1 1 1 8   10 10 o 542.8605 10.15808 14475.67       539.7665 14224.06       753.6291 14740.69       773.4470 536.9609 14.35153 546.5965 14.46904 -9.635559      20.37939 
1 1 1 8   10 11 o 444.0939 9.693470 9687.396       421.3667 9460.034       507.8069 10190.00       755.0099 438.3013 11.84727 453.4404 17.04118 -15.13913      20.75475 
1 1 1 8   10 12 o 341.3005 7.565481 5714.883       252.7433 0.000000       0.000000 5714.883       252.7433 ?        ?        341.3005 7.565481 ?              ?        
1 1 1 8   10 13 o 448.3184 8.450912 9869.361       370.8483 9069.000       696.9201 10185.51       438.0101 427.3964 16.69097 455.1763 9.831014 -27.77991      19.37105 
1 1 1 8   10 14 o 152.1065 3.493960 1133.030       52.02019 1048.000       98.00253 1166.385       61.38117 145.9969 6.877172 154.2587 4.068729 -8.261765      7.990622 
1 1 1 8   10 15 o 336.0219 6.461498 5538.980       212.5235 5090.000       398.9684 5716.850       251.1163 320.7892 12.73139 341.2332 7.518263 -20.44394      14.78556 
1 1 1 8   10 16 o 209.4548 4.338340 2149.637       88.94473 1994.000       167.3288 2210.932       105.0087 201.2171 8.514957 212.3759 5.051423 -11.15875      9.900575 
1 1 1 8   10 17 o 161.4713 3.633352 1277.200       57.42607 1136.000       104.5594 1338.189       68.71793 151.9332 7.050014 165.1996 4.253205 -13.26637      8.233618 
1 1 1 8   10 18 o 238.7684 4.811056 2794.920       112.4407 2693.000       216.4540 2832.587       131.5880 233.6129 9.485641 240.3000 5.594435 -6.687042      11.01250 
1 1 1 8   10 19 o 280.7882 6.386165 3871.017       175.5194 3893.000       301.2703 3859.721       215.9547 280.4959 10.99425 280.0340 7.886392 0.4619751      13.53028 
1 1 1 8   10 20 o 165.9260 4.340270 1350.517       70.43108 1402.000       118.4395 1322.352       87.60322 168.7292 7.187804 164.0754 5.462310 4.653854       9.027810 
1 1 1 8   10 21 f 217.9429 5.212224 2330.485       111.1916 2417.000       191.8548 2286.728       136.4434 221.2538 8.876835 215.6458 6.471383 5.608047       10.98531 
1 1 1 8   10 22 o 173.1208 5.391169 1472.409       91.24490 1529.000       127.5002 1413.000       130.6365 176.1249 7.412350 169.2155 7.908998 6.909363       10.83952 
1 1 1 8   10 23 o 107.2784 3.585510 564.6285       37.59749 532.8000       57.05205 589.0626       49.98736 104.0173 5.624424 109.4859 4.675164 -5.468605      7.313776 
1 1 1 8   10 24 o 188.2352 4.083914 1737.289       75.24606 1678.000       141.2731 1760.770       88.90662 184.3795 7.845751 189.3768 4.800112 -4.997284      9.197656 
1 1 1 8   10 25 o 155.5835 3.629488 1186.513       55.27328 1169.085       74.33801 1208.060       82.65884 154.2584 4.929624 156.7522 5.395322 -2.493774      7.308262 
1 1 1 8   10 26 o 174.0600 5.592915 1490.182       95.16542 1447.000       128.8546 1542.000       141.1532 171.1322 7.712219 176.5663 8.189569 -5.434158      11.24933 
1 1 1 8   10 27 o 154.2492 4.268101 1168.273       64.37930 1203.000       110.3984 1150.378       79.24960 156.0512 7.247314 152.9263 5.302323 3.124908       8.979877 
1 1 1 8   10 28 o 202.6965 4.995321 2018.501       99.10966 2168.000       175.8436 1948.898       119.9829 209.1135 8.609303 198.8778 6.170959 10.23569       10.59249 
1 1 1 8   10 29 o 146.2135 3.514728 1048.510       50.30201 1014.549       67.69923 1090.369       75.15981 143.6118 4.822853 148.8320 5.167045 -5.220261      7.068116 
1 1 1 8   10 30 o 88.11590 3.130277 381.2092       26.95584 359.8833       34.33316 415.4806       43.52372 85.51186 4.113932 91.79819 4.861122 -6.286331      6.368276 
1 1 1 8   10 31 o 113.6555 3.212844 634.2075       35.70675 612.8437       47.46707 662.0541       54.19259 111.5747 4.354667 115.9053 4.787028 -4.330605      6.471380 
1 1 1 8   10 32 o 102.2117 3.173971 513.1618       31.71633 509.0706       42.18776 518.4797       48.09859 101.6571 4.249143 102.5014 4.807374 -0.8443375     6.416079 
1 1 1 8   10 33 o 161.8028 3.730913 1286.911       59.08908 1283.290       81.53745 1290.916       85.75085 161.1693 5.175257 161.5719 5.429798 -0.4026337     7.501066 
1 1 1 8   10 34 o 66.35869 3.426854 217.0144       22.18329 207.5932       28.52268 231.4373       35.29091 64.72878 4.530411 68.20934 5.328072 -3.480568      6.993781 
1 1 1 8   10 35 o 68.18102 3.394083 229.1865       22.58003 225.9097       29.12694 234.1217       35.74594 67.51667 4.431854 68.54172 5.370882 -1.025047      6.963312 
1 1 1 8   10 36 o 40.93567 4.524218 83.80578       17.82594 74.04665       22.33692 100.9225       29.58204 38.07815 6.206537 44.37151 7.046391 -6.293354      9.390034 
1 1 1 8   10 37 o 48.61961 4.417260 117.8878       20.79260 104.3615       24.06694 157.7000       41.28956 45.47454 5.519764 55.32615 7.844015 -9.851612      9.591474 
1 1 1 8   10 38 o 107.2303 3.342108 567.1542       35.03593 575.5262       47.41020 557.0809       52.00445 107.6784 4.508154 105.7512 5.038484 1.927193       6.760900 
1 1 1 8   10 39 o 85.85810 3.329147 364.0222       27.92522 384.6303       37.79014 339.2324       41.44718 87.96864 4.402780 82.35925 5.167383 5.609390       6.788690 
1 1 1 8   10 40 o 63.86961 4.052702 202.8346       25.20575 179.4657       29.90980 260.1000       46.82092 59.76397 5.163501 71.41827 6.778848 -11.65430      8.521416 
1 1 1 8   10 41 o 57.99444 3.870270 167.2754       21.84446 162.2022       28.31110 174.7393       34.33989 56.75613 5.152181 58.61562 6.073094 -1.859489      7.964134 
1 1 1 8   10 42 o 78.97818 4.020983 310.2933       30.98232 298.3237       34.86777 355.2000       67.53664 77.23118 4.633692 82.30964 8.505032 -5.078461      9.685384 
1 1 1 8   10 43 f 64.66355 3.744107 208.1300       23.59678 202.8986       31.37501 214.9423       35.80359 63.39196 5.099414 65.02116 5.682607 -1.629196      7.635185 
1 1 1 8   10 44 o 20.47033 7.121796 19.98331       17.47949 8.400216       22.26698 38.58177       28.21547 18.68420 7.649971 27.18221 9.055603 -8.498009      11.85437 
1 1 1 8   10 45 o 75.86914 3.521869 286.7508       26.08303 280.2324       34.75707 295.1539       39.46348 74.44543 4.795292 76.12562 5.329800 -1.680191      7.169491 
1 1 1 8   10 46 o 24.36611 6.922894 31.83729       17.28450 25.22752       22.50611 41.34148       26.98762 22.73740 8.067456 27.59261 8.835515 -4.855215      11.96454 
1 1 1 8   10 47 o 33.76080 6.258196 60.50599       19.91949 37.54000       27.48152 85.92834       28.91385 26.51462 8.938443 39.69046 7.720419 -13.17583      11.81104 
1 1 1 8   10 48 f 47.40824 7.094706 120.3289       31.91200 0.000000       0.000000 120.3289       31.91200 ?        ?        47.40824 7.094706 ?              ?        
1 1 1 8   10 49 o 62.18470 4.241782 195.6074       25.66434 185.1000       36.96927 205.3815       35.65604 59.22827 6.482606 62.81870 5.866643 -3.590427      8.743093 
1 1 1 8   10 50 o 43.14874 6.319966 98.95803       25.90130 111.8000       47.58957 93.55277       30.87480 42.57495 11.25175 41.01482 7.977830 1.560135       13.79303 
1 1 1 8   10 51 o 45.10594 6.101949 107.7932       26.25036 118.0000       47.74148 103.3701       31.42750 43.64700 11.13906 43.22024 7.711681 0.4267578      13.54801 
1 1 1 8   10 52 o 39.71870 5.383927 82.73775       20.39305 79.20569       24.69020 90.32000       36.17507 38.08326 6.876438 38.98751 9.555009 -0.9042511     11.77215 
1 1 1 8   10 53 o 17.92306 6.904778 13.13194       17.10584 4.105213       21.74338 27.79244       27.70998 17.18705 7.331079 23.60449 8.859377 -6.417440      11.49927 
1 1 1 8   10 54 o 21.34995 7.794247 22.61153       21.18309 18.87862       23.32641 40.17000       50.59037 20.77015 8.046582 28.25284 11.54499 -7.482697      14.07246 
1 1 1 8   10 55 o 20.64521 7.254646 21.76830       18.16498 5.313986       23.75378 44.94349       28.19060 17.97754 7.665206 27.80927 9.041361 -9.831728      11.85334 
1 1 1 8   10 56 o 15.50848 6.624077 2.635940       17.79481 2.438771       23.36288 2.908379       27.46261 17.32547 7.497017 18.59207 8.086079 -1.266594      11.02678 
1 1 1 8   10 57 o 68.75784 3.823160 239.4683       25.62934 235.6752       34.45271 244.1682       38.35053 67.19554 5.280533 67.95336 5.821769 -0.7578201     7.859836 
1 1 1 8   10 58 f 28.82947 6.861457 46.56991       19.08131 45.36834       25.76454 48.02959       28.39724 27.79868 8.597047 28.41824 9.059425 -0.6195660     12.48929 
1 1 1 8   10 59 o 28.59169 6.928462 46.20556       19.18469 49.55259       26.78246 42.67833       27.49403 28.76422 8.741010 26.85620 8.938877 1.908022       12.50235 
1 1 1 8   10 60 o 28.56844 6.937544 46.42094       19.20373 44.49383       27.46951 48.26310       26.85720 27.18859 8.930366 28.24776 8.784324 -1.059160      12.52660 
1 1 1 8   11 0  o 530.4581 9.915758 13810.57       514.8529 14596.23       757.5028 13136.02       701.8965 544.3385 14.22923 516.4522 13.89734 27.88629       19.88988 
1 1 1 8   11 1  o 292.0359 8.055094 4184.988       230.0372 4427.000       338.3651 3977.000       313.6792 299.9582 11.54597 284.3146 11.29394 15.64362       16.15123 
1 1 1 8   11 2  o 448.5879 11.98914 9896.927       525.9597 9896.927       525.9597 0.000000       0.000000 448.5879 11.98914 ?        ?        ?              ?        
1 1 1 8   11 3  f 725.3047 19.19510 26045.17       1361.555 26045.17       1361.555 0.000000       0.000000 725.3047 19.19510 ?        ?        ?              ?        
1 1 1 8   11 4  o 888.6523 19.12662 39075.75       1663.705 38328.32       2010.383 40700.00       2963.585 877.4229 23.42893 895.9927 33.85233 -18.56989      41.16910 
1 1 1 8   11 5  o 197.4486 5.961294 1911.854       115.0808 1744.000       156.5868 2109.000       169.7008 188.3692 8.514585 207.1937 8.384922 -18.82455      11.95011 
1 1 1 8   11 6  o 447.9025 9.754844 9848.264       427.6712 9769.784       521.2041 10010.00       748.2230 445.6170 11.96004 449.8626 17.02273 -4.245575      20.80423 
1 1 1 8   11 7  o 248.1234 5.763103 3016.417       139.9685 2926.757       168.6316 3215.000       250.9628 244.2389 7.061130 255.6776 10.04747 -11.43874      12.28052 
1 1 1 8   11 8  o 136.7935 4.017567 917.1251       53.73584 850.1001       64.64416 1067.000       96.66631 131.6400 5.026132 147.3838 6.718353 -15.74382      8.390368 
1 1 1 8   11 9  o 127.1777 3.295240 792.4448       40.98627 714.3895       58.22377 869.1191       57.70638 120.6606 4.940242 133.1371 4.434299 -12.47652      6.638448 
1 1 1 8   11 10 o 291.2615 8.056370 4166.130       229.4623 3934.000       311.3804 4442.000       339.4510 282.5545 11.28124 300.2191 11.57302 -17.66455      16.16172 
1 1 1 8   11 11 o 200.7238 5.891454 1976.592       115.6265 0.000000       0.000000 1976.592       115.6265 ?        ?        200.7238 5.891454 ?              ?        
1 1 1 8   11 12 o 589.0757 11.00470 17082.50       634.5353 16610.00       1242.389 17249.25       738.0579 575.4269 22.09883 591.3553 12.75075 -15.92841      25.51353 
1 1 1 8   11 13 o 367.4436 7.013151 6624.858       252.2377 6035.000       471.1716 6861.816       298.6349 349.1482 13.81405 373.7867 8.162262 -24.63849      16.04527 
1 1 1 8   11 14 f 181.2691 3.906911 1609.554       69.32079 1470.000       130.1566 1664.815       81.90363 172.8425 7.712673 184.3262 4.539518 -11.48375      8.949445 
1 1 1 8   11 15 o 114.2624 3.099205 639.8310       34.63049 590.5000       64.79365 659.5583       40.97385 109.5489 6.066206 115.9843 3.613528 -6.435417      7.060910 
1 1 1 8   11 16 o 131.5008 3.258638 846.9374       41.94408 746.3000       76.80423 889.7080       50.06998 123.1481 6.393534 134.7091 3.801096 -11.56098      7.438119 
1 1 1 8   11 17 o 192.6929 4.095289 1819.475       77.24254 1634.000       141.7437 1897.821       92.12302 182.1215 7.970567 196.7534 4.783432 -14.63191      9.295760 
1 1 1 8   11 18 o 193.0061 4.109190 1825.559       77.63073 1702.000       145.1538 1875.059       91.87418 185.8469 7.998061 195.5580 4.799674 -9.711136      9.327692 
1 1 1 8   11 19 o 435.6989 8.252288 9344.604       351.9388 8871.000       675.6848 9520.927       412.2798 420.6292 16.44280 439.3477 9.586884 -18.71854      19.03350 
1 1 1 8   11 20 o 171.6568 3.805793 1444.025       63.94588 1541.000       127.6715 1411.551       73.88088 176.8503 7.391634 169.6160 4.453843 7.234222       8.629773 
1 1 1 8   11 21 o 192.0992 5.781383 1813.571       108.5848 1815.000       150.0551 1812.000       157.3269 191.8097 8.009972 191.5731 8.410507 0.2366028      11.61449 
1 1 1 8   11 22 o 64.65527 4.346559 205.9086       27.34796 184.4000       32.49819 258.1000       50.62357 61.04240 5.497881 72.06329 7.276387 -11.02090      9.119896 
1 1 1 8   11 23 o 184.5045 4.689898 1671.112       84.62999 1875.000       149.1256 1574.251       102.7852 194.9293 7.831659 178.9179 5.877059 16.01141       9.791563 
1 1 1 8   11 24 o 128.3874 4.732604 809.8783       59.37244 827.7000       77.52639 784.6000       92.33130 129.6247 6.127549 125.9872 7.521384 3.637474       9.701447 
1 1 1 8   11 25 o 43.19861 5.392045 93.06736       22.30464 81.69000       24.32014 153.3000       55.95789 40.26753 6.382919 54.64391 10.84477 -14.37637      12.58375 
1 1 1 8   11 26 o 115.4911 4.653991 655.7673       52.50370 603.7000       70.72247 719.7000       78.36758 110.5485 6.565362 120.7217 6.657784 -10.17321      9.350405 
1 1 1 8   11 27 o 176.9764 3.894169 1536.278       67.45843 1586.219       94.66372 1484.750       96.15501 179.5678 5.391890 173.6778 5.663730 5.890015       7.819866 
1 1 1 8   11 28 o 322.4202 7.287349 5132.381       229.9842 5289.000       402.7756 5056.614       280.1436 324.2000 12.71707 319.1933 8.975362 5.006683       15.56538 
1 1 1 8   11 29 o 90.32288 3.865197 401.1125       34.09340 364.8000       53.28389 426.2841       44.36331 85.77716 6.392218 92.99402 4.890939 -7.216858      8.048710 
1 1 1 8   11 30 o 123.8164 3.945148 753.5629       47.75216 857.0000       84.18028 704.4863       57.98413 131.5624 6.557579 119.5590 4.965545 12.00337       8.225477 
1 1 1 8   11 31 o 88.92355 3.118263 388.4184       27.09961 379.8182       35.02947 401.2379       42.76775 87.81667 4.086419 90.14798 4.864812 -2.331306      6.353363 
1 1 1 8   11 32 o 80.71242 3.194234 320.2808       25.18574 316.5443       32.72375 325.7104       39.44705 80.10875 4.187817 81.13215 4.991405 -1.023399      6.515515 
1 1 1 8   11 33 o 143.1694 3.515426 1007.464       49.26453 1056.740       68.78786 955.5751       70.58817 146.2804 4.810726 138.9891 5.197695 7.291290       7.082310 
1 1 1 8   11 34 o 130.4459 3.404963 837.2113       43.43878 884.9460       60.64065 786.9019       62.25456 133.8167 4.636644 126.0607 5.055534 7.756058       6.859803 
1 1 1 8   11 35 o 78.02995 3.354565 300.0539       25.56160 285.2634       33.00296 322.2294       40.41079 75.87585 4.463398 80.49863 5.155749 -4.622787      6.819360 
1 1 1 8   11 36 o 83.07969 3.302593 340.2672       26.80339 328.1864       34.68327 358.1806       42.23375 81.36718 4.370804 84.82103 5.110567 -3.453850      6.724718 
1 1 1 8   11 37 o 72.71555 3.411194 261.1102       24.21183 267.1989       31.70182 252.5874       37.50700 73.33626 4.437065 71.02912 5.436035 2.307137       7.016981 
1 1 1 8   11 38 o 92.96976 3.681715 427.3647       33.43787 398.2942       39.27821 503.9000       63.73176 89.52174 4.496865 99.89841 6.553846 -10.37668      7.948251 
1 1 1 8   11 39 o 53.84467 5.190367 145.8434       27.01704 145.8434       27.01704 0.000000       0.000000 53.84467 5.190367 ?        ?        ?              ?        
1 1 1 8   11 40 o 56.60754 3.950009 159.4185       21.74929 172.5016       28.18977 140.1767       34.18671 58.62915 4.958604 52.20220 6.856126 6.426945       8.461336 
1 1 1 8   11 41 o 54.19191 4.802119 147.5579       25.20921 162.6707       27.78368 77.16000       59.96482 56.84467 5.045736 37.79615 13.18826 19.04851       14.12054 
1 1 1 8   11 42 f 36.07580 5.492912 66.78818       18.78516 67.36295       24.10490 65.89922       29.97758 35.71783 7.144409 34.84340 8.791291 0.8744354      11.32826 
1 1 1 8   11 43 o 23.47566 7.049835 28.80525       17.49498 18.04121       22.24671 46.25156       28.32239 20.99803 7.925787 29.32073 9.004152 -8.322701      11.99553 
1 1 1 8   11 44 o 28.05043 6.585065 41.96302       17.76878 28.61463       22.73083 62.93463       28.49159 23.84825 8.128410 33.79553 8.594604 -9.947277      11.82955 
1 1 1 8   11 45 o 50.51665 4.204581 128.6125       20.60212 119.4311       26.39610 142.9235       32.95507 48.08239 5.720532 52.22810 6.592940 -4.145714      8.728765 
1 1 1 8   11 46 o 35.97895 5.461863 67.28389       18.63153 76.87570       24.29779 53.59568       29.02618 37.95390 6.789678 30.90797 9.030319 7.045935       11.29807 
1 1 1 8   11 47 o 26.80078 9.022576 38.65089       28.00152 0.000000       0.000000 38.65089       28.00152 ?        ?        26.80078 9.022576 ?              ?        
1 1 1 8   11 48 o 34.68885 5.577867 63.04035       18.29737 66.00627       23.94572 58.87877       28.36467 34.78745 7.267025 32.23185 8.762337 2.555599       11.38368 
1 1 1 8   11 49 o 79.31850 3.937283 316.5029       30.47317 356.0000       46.66259 287.1323       40.23861 82.85645 5.789992 74.54485 5.554589 8.311600       8.023558 
1 1 1 8   11 50 o 22.28821 7.360815 26.16851       18.65304 38.65000       25.66014 12.18246       27.16272 26.43320 8.628246 20.41253 8.413190 6.020672       12.05107 
1 1 1 8   11 51 o 22.39724 7.691560 26.25192       20.36180 20.73000       25.95460 35.09000       32.83586 21.82250 8.478519 25.92929 9.661822 -4.106787      12.85442 
1 1 1 8   11 52 o 31.51459 7.833456 56.39885       24.05976 62.18000       42.16154 53.60709       29.29870 31.82749 11.06145 30.21400 9.134222 1.613493       14.34537 
1 1 1 8   11 53 o 52.48012 7.287340 150.9111       36.42564 150.7000       47.92186 151.2000       56.05666 50.09727 10.12143 48.38558 11.91601 1.711693       15.63441 
1 1 1 8   11 54 o 35.02691 5.901517 65.72374       19.51508 75.16493       26.28720 54.13182       29.12786 36.55897 7.594344 30.26488 9.098331 6.294083       11.85132 
1 1 1 8   11 55 o 63.31242 3.867482 203.0284       23.85319 216.9719       32.61471 186.9928       34.97595 64.59554 5.202240 59.28447 6.114926 5.311077       8.028426 
1 1 1 8   11 56 o 47.32937 4.673079 115.6874       21.36691 132.6485       29.47659 96.90720       31.01699 49.78222 6.181958 41.31918 7.957721 8.463047       10.07680 
1 1 1 8   11 57 o 26.69760 7.264653 40.30249       19.48623 61.25698       27.05637 17.71967       28.08795 32.31530 8.457145 21.33079 8.644719 10.98450       12.09357 
1 1 1 8   11 58 o 43.80433 5.179291 100.8816       21.77815 76.18678       29.81978 129.1090       31.88140 35.88685 8.601281 48.39975 6.926850 -12.51291      11.04370 
1 1 1 8   11 59 o 60.47984 4.108967 187.3403       24.18037 200.3486       34.73767 175.1127       33.67931 61.18060 5.872741 56.94915 6.138707 4.231453       8.495458 
1 1 1 8   11 60 o 17.47444 7.249898 9.030082       20.35279 -0.1554687E-01 27.59542 19.82000       30.13885 17.82664 7.915513 21.70320 8.894646 -3.876554      11.90672 
1 1 1 8   12 0  o 248.6176 7.060614 3032.347       171.6487 2709.000       226.6749 3467.000       262.8094 234.6974 9.889248 265.5316 10.13015 -30.83417      14.15687 
1 1 1 8   12 1  o 340.4552 9.248016 5692.510       307.9019 5893.000       446.6772 5511.000       425.0085 345.7835 13.22161 334.4096 13.00894 11.37387       18.54840 
1 1 1 8   12 2  o 238.1372 5.559346 2778.217       129.5857 2768.563       159.4472 2797.000       222.4052 237.5621 6.864190 238.5191 9.545387 -0.9570160     11.75719 
1 1 1 8   12 3  o 691.4968 14.90139 23573.75       1008.610 24679.24       1276.941 21740.00       1644.611 705.9041 18.49666 658.9634 25.54577 46.94073       31.53907 
1 1 1 8   12 4  o 358.8761 7.927652 6316.704       278.4809 6410.550       344.9253 6141.000       471.9604 361.2029 9.764864 352.8460 13.69112 8.356873       16.81664 
1 1 1 8   12 5  o 223.4370 5.316833 2445.786       116.2824 2345.334       139.5468 2674.000       210.3359 218.6484 6.527607 233.2143 9.232324 -14.56596      11.30688 
1 1 1 8   12 6  o 622.4623 13.42682 19089.05       818.0739 18692.14       987.0300 19960.00       1462.126 614.7393 16.41807 631.6908 23.68886 -16.95148      28.82213 
1 1 1 8   12 7  o 145.6420 5.104610 1040.456       72.65802 1024.000       106.0775 1055.000       99.72445 144.2921 7.536723 146.5167 6.973595 -2.224548      10.26807 
1 1 1 8   12 8  o 111.4049 3.841398 608.5087       41.82630 636.0117       53.29409 564.4000       67.49192 113.8421 4.793390 107.1004 6.468204 6.741768       8.050730 
1 1 1 8   12 9  o 414.8575 9.084701 8453.995       368.9061 0.000000       0.000000 8453.995       368.9061 ?        ?        414.8575 9.084701 ?              ?        
1 1 1 8   12 10 o 311.3885 6.032547 4753.698       183.8694 4410.000       349.4339 4885.297       216.2240 298.9301 11.96652 315.5750 6.999952 -16.64490      13.86351 
1 1 1 8   12 11 o 335.5299 6.445276 5521.494       211.6796 5589.000       425.4448 5499.284       244.0291 336.2557 12.95030 334.7359 7.447886 1.519775       14.93925 
1 1 1 8   12 12 o 282.3464 5.535301 3908.182       152.9783 3866.000       301.7438 3922.775       177.4778 279.9036 11.03508 282.7915 6.411674 -2.887878      12.76255 
1 1 1 8   12 13 o 185.2088 3.972241 1680.392       72.01176 1528.000       135.1152 1740.854       85.10651 176.1956 7.854088 188.4802 4.613079 -12.28456      9.108633 
1 1 1 8   12 14 o 215.2588 4.424894 2270.666       93.23308 2227.000       182.3905 2286.112       108.4764 212.6016 8.783462 215.9421 5.132061 -3.340469      10.17287 
1 1 1 8   12 15 o 200.8535 4.196968 1976.857       82.51281 1855.000       157.1174 2023.264       96.95988 194.0406 8.291397 203.1533 4.875981 -9.112640      9.618859 
1 1 1 8   12 16 o 99.12168 3.521029 481.9070       34.10783 422.3000       55.18563 518.7504       43.38681 92.55981 6.125581 102.7911 4.321815 -10.23126      7.496721 
1 1 1 8   12 17 o 107.2347 3.103092 563.6931       32.53715 467.6000       58.14236 607.5071       39.26028 97.40960 6.129030 111.2975 3.608580 -13.88786      7.112443 
1 1 1 8   12 18 o 162.4513 3.686837 1293.092       58.62508 1270.000       112.3965 1301.722       68.71239 160.5765 7.169039 162.9008 4.313084 -2.324295      8.366470 
1 1 1 8   12 19 o 182.8206 4.643290 1640.084       83.02437 0.000000       0.000000 1640.084       83.02437 ?        ?        182.8206 4.643290 ?              ?        
1 1 1 8   12 20 o 249.0369 5.756549 3045.181       140.3241 3111.000       243.5407 3012.470       171.6880 250.7184 9.943544 247.3873 7.097500 3.331146       12.21673 
1 1 1 8   12 21 o 364.3004 8.068089 6538.864       287.6978 6325.000       484.2748 6655.512       357.6524 355.6920 13.93647 366.7597 9.971867 -11.06769      17.13661 
1 1 1 8   12 22 o 108.9846 3.959296 583.0605       42.16643 0.000000       0.000000 583.0605       42.16643 ?        ?        108.9846 3.959296 ?              ?        
1 1 1 8   12 23 o 106.7390 4.568717 559.9408       47.62313 573.6000       60.10386 536.9000       78.06173 107.9101 5.710615 104.1072 7.715225 3.802895       9.598741 
1 1 1 8   12 24 o 288.0920 8.056532 4097.397       226.9650 4336.000       329.1083 3881.000       313.4201 295.0945 11.41541 279.1253 11.49614 15.96918       16.20101 
1 1 1 8   12 25 o 206.1854 5.003049 2087.605       100.9715 1975.000       164.2510 2156.009       128.0178 199.7641 8.418974 209.2468 6.257395 -9.482681      10.48971 
1 1 1 8   12 26 o 208.1055 5.054699 2127.306       102.9639 1909.000       161.8216 2275.811       133.4667 196.3238 8.440593 214.9280 6.351119 -18.60422      10.56316 
1 1 1 8   12 27 o 174.3039 4.488980 1492.751       76.52430 1287.000       116.5909 1648.471       101.4295 161.2841 7.405041 182.9667 5.670362 -21.68259      9.326716 
1 1 1 8   12 28 o 78.06788 3.933716 299.8605       29.96262 271.5000       45.67673 321.2813       39.69685 73.94353 6.372986 80.68142 5.051980 -6.737885      8.132493 
1 1 1 8   12 29 o 196.4190 4.920854 1898.732       94.53405 2171.000       173.6019 1783.965       112.7107 208.9052 8.507627 190.1110 6.064677 18.79416       10.44797 
1 1 1 8   12 30 o 89.42332 3.844518 393.4648       33.57247 421.3000       55.29704 377.2147       42.25062 92.16150 6.165258 87.39692 4.959258 4.764580       7.912310 
1 1 1 8   12 31 o 60.50927 4.416294 181.1011       25.97679 139.8000       41.45726 207.7985       33.33146 52.32648 8.376625 64.69603 5.310143 -12.36955      9.917936 
1 1 1 8   12 32 o 86.24628 3.955021 366.6485       33.29951 371.6000       55.01280 363.7852       41.83387 86.29768 6.561852 85.72507 5.007362 0.5726089      8.254186 
1 1 1 8   12 33 o 137.4450 3.463928 929.3300       46.56482 940.4199       63.53037 916.4562       68.44962 137.9633 4.711392 136.0673 5.148671 1.895981       6.978971 
1 1 1 8   12 34 o 197.2603 4.250562 1919.347       82.07148 2036.183       117.8464 1809.312       114.3650 202.3336 5.956832 190.6248 6.137253 11.70880       8.552761 
1 1 1 8   12 35 o 20.71392 6.629670 21.04671       15.19581 8.454598       17.99289 52.36881       28.37770 17.57638 6.988767 31.62764 8.830375 -14.05126      11.26137 
1 1 1 8   12 36 o 27.82595 6.195972 40.18407       16.44236 39.08785       20.13293 42.37961       28.49249 27.37170 7.357135 28.80576 9.061235 -1.434059      11.67191 
1 1 1 8   12 37 o 54.13833 4.237900 145.8998       22.27867 146.2529       26.28890 145.0000       41.96659 54.02039 5.029525 52.71658 8.415819 1.303818       9.804190 
1 1 1 8   12 38 o 25.28837 7.098645 33.31089       18.28627 13.22685       20.89296 99.07000       37.80528 19.63550 7.613032 43.02077 9.252715 -23.38526      11.98211 
1 1 1 8   12 39 o 44.59803 4.715219 99.98532       20.27240 99.65513       23.65006 100.9000       39.36276 44.29371 5.578312 43.22202 9.558115 1.071693       11.06685 
1 1 1 8   12 40 o 29.31388 7.012267 45.35343       19.84975 37.18906       21.16257 105.1000       57.24846 26.61524 7.691747 43.01832 12.71281 -16.40308      14.85862 
1 1 1 8   12 41 o 64.73763 3.734399 208.2475       23.56333 178.9161       29.27109 262.2512       39.71773 59.60459 5.065028 71.99833 5.681824 -12.39374      7.611678 
1 1 1 8   12 42 o 24.08940 6.981000 30.46747       17.41018 18.24527       21.26180 55.33974       30.33074 20.85782 7.774205 31.87785 9.207072 -11.02003      12.05025 
1 1 1 8   12 43 o 47.01790 4.422609 111.4409       20.11489 96.63694       25.46469 136.0053       32.80212 43.14253 6.208679 51.08252 6.723362 -7.939991      9.151573 
1 1 1 8   12 44 o 34.44282 5.664878 61.77152       18.43495 70.67919       23.61886 47.88526       29.48964 36.43003 6.875584 29.53891 9.207747 6.891123       11.49157 
1 1 1 8   12 45 o 40.37368 4.995096 83.57431       19.31942 66.43898       24.99119 109.0224       30.45565 34.95788 7.526437 45.24347 7.111474 -10.28559      10.35472 
1 1 1 8   12 46 o 17.01582 7.647857 -8.123830      26.60257 0.000000       0.000000 -8.123830      26.60257 ?        ?        17.01582 7.647857 ?              ?        
1 1 1 8   12 47 o 24.66162 6.921395 32.91144       17.38621 46.97262       22.52962 12.20832       27.33764 29.15051 7.759364 20.62155 8.463493 8.528961       11.48209 
1 1 1 8   12 48 o 47.34266 4.384327 113.9378       20.08633 134.0451       26.42780 86.43496       30.90822 50.92214 5.383516 39.33880 8.288847 11.58334       9.883685 
1 1 1 8   12 49 o 18.31056 6.900164 14.27820       16.84620 20.66161       21.82812 4.875829       26.49163 21.15862 7.878868 18.90894 8.079537 2.249678       11.28519 
1 1 1 8   12 50 o 18.27285 7.070889 13.23724       17.99683 5.044964       21.86815 30.43000       31.67982 17.50890 7.405474 24.89907 9.444472 -7.390169      12.00163 
1 1 1 8   12 51 o 16.09444 6.841455 3.391723       18.82249 10.36000       26.72095 -3.471232      26.51825 19.80522 8.269167 17.41120 7.743608 2.394022       11.32884 
1 1 1 8   12 52 o 19.47488 7.958002 12.30016       24.03735 18.09000       27.59623 -5.905000      48.93434 21.45568 8.613408 22.44693 10.20267 -0.9912567     13.35235 
1 1 1 8   12 53 o 23.71250 7.670293 30.87635       20.30391 33.23000       29.36854 28.72142       28.10147 25.01813 9.170397 23.84213 8.927309 1.175993       12.79817 
1 1 1 8   12 54 o 36.72234 7.117464 74.76923       24.65974 62.56000       45.01506 80.00417       29.47606 31.66345 11.38965 37.27827 8.292191 -5.614820      14.08845 
1 1 1 8   12 55 f 16.03225 7.133173 -3.472743      22.52504 -19.86000      42.31255 3.007924       26.60884 19.58137 9.109904 18.36283 7.973128 1.218546       12.10624 
1 1 1 8   12 56 o 19.59181 7.235163 18.34711       18.33733 13.04828       24.85552 24.67580       27.16374 19.71420 8.078268 22.64421 8.706918 -2.930012      11.87724 
1 1 1 8   12 57 o 36.88696 5.797775 72.88271       20.24357 50.03442       27.93942 98.13367       29.37173 29.03934 8.947657 41.84883 7.443135 -12.80949      11.63876 
1 1 1 8   12 58 o 21.16784 7.443097 23.62844       19.12313 20.02669       26.69961 27.42232       27.40247 21.40428 8.512555 23.13035 8.781407 -1.726068      12.23016 
1 1 1 8   12 59 o 14.79329 6.689975 -6.120648      20.71944 11.97895       27.08164 -31.67000      32.17588 19.74697 8.290236 15.55536 7.444090 4.191614       11.14192 
1 1 1 8   13 0  o 478.8345 12.78356 11297.89       598.6250 10690.00       815.0220 12010.00       882.1208 464.2277 17.97021 491.9551 18.35094 -27.72742      25.68434 
1 1 1 8   13 1  o 352.4648 7.801064 6094.008       269.1385 5739.000       448.4323 6293.884       336.4788 341.0136 13.46086 357.8583 9.614664 -16.84464      16.54196 
1 1 1 8   13 2  o 304.7206 5.925230 4550.546       176.7312 4637.903       254.3482 4468.998       245.7449 307.3014 8.463924 301.6660 8.330441 5.635345       11.87578 
1 1 1 8   13 3  o 335.5735 6.454887 5520.285       212.0228 5725.908       307.8725 5334.790       292.4153 341.3528 9.222726 329.5010 9.075089 11.85181       12.93893 
1 1 1 8   13 4  o 189.7205 4.089169 1762.782       75.93736 1630.870       104.4805 1910.493       110.5605 182.3250 5.862025 197.3623 5.729140 -15.03725      8.196731 
1 1 1 8   13 5  o 112.9246 4.730511 625.7806       52.17231 560.4000       76.95193 681.4000       70.97548 106.6271 7.419309 117.7388 6.180250 -11.11170      9.656171 
1 1 1 8   13 6  o 681.2344 14.70659 22928.38       980.6517 22516.47       1185.729 23820.00       1744.511 673.2785 18.00839 687.0844 25.98608 -13.80591      31.61611 
1 1 1 8   13 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   13 8  o 507.4056 13.56019 12721.84       672.8801 0.000000       0.000000 12721.84       672.8801 ?        ?        507.4056 13.56019 ?              ?        
1 1 1 8   13 9  o 264.3986 5.230959 3426.135       135.3775 3252.000       261.1034 3490.157       158.3200 256.8521 10.40695 266.7932 6.062542 -9.941101      12.04404 
1 1 1 8   13 10 o 383.2287 7.297177 7208.762       273.7279 6905.000       529.2714 7319.677       319.8214 373.1894 14.51684 385.9710 8.465382 -12.78159      16.80480 
1 1 1 8   13 11 o 126.8071 4.414014 788.8356       54.70419 803.2000       81.20387 776.9000       74.02089 127.7825 6.513797 125.7136 6.033028 2.068939       8.878456 
1 1 1 8   13 12 o 309.5978 6.002240 4701.811       181.8936 4651.000       359.7052 4719.268       210.8362 306.6426 12.00738 310.0518 6.947120 -3.409180      13.87226 
1 1 1 8   13 13 o 16.93917 6.017433 12.07995       12.52466 -13.50000      32.15867 16.65375       13.59837 19.01639 8.487975 18.93958 6.285961 0.7681465E-01  10.56215 
1 1 1 8   13 14 o 244.1187 4.893603 2921.711       116.9327 2795.000       226.1450 2967.952       136.6127 237.9593 9.729602 245.9689 5.674199 -8.009659      11.26329 
1 1 1 8   13 15 o 168.5170 3.737859 1391.330       61.65567 1341.000       118.8295 1409.872       72.12367 165.0224 7.375202 169.5484 4.349472 -4.526062      8.562215 
1 1 1 8   13 16 o 352.8429 6.765856 6115.777       233.6740 6144.000       466.7713 6106.339       269.9347 351.4328 13.59488 352.3498 7.826697 -0.9169312     15.68687 
1 1 1 8   13 17 o 262.7531 5.218724 3386.945       134.2204 3361.000       264.4979 3395.943       155.7660 260.6254 10.38892 262.9940 6.050910 -2.368652      12.02261 
1 1 1 8   13 18 f 60.61442 3.633568 180.6813       21.45938 228.1000       38.89685 159.9332       25.72935 67.90447 5.910916 56.91842 4.658898 10.98605       7.526238 
1 1 1 8   13 19 o 74.69836 4.437518 274.5765       32.29950 0.000000       0.000000 274.5765       32.29950 ?        ?        74.69836 4.437518 ?              ?        
1 1 1 8   13 20 o 142.3668 3.935053 994.3089       54.78338 1038.000       94.08776 971.8990       67.38391 145.1517 6.639822 140.6599 4.901669 4.491867       8.253096 
1 1 1 8   13 21 o 132.5703 4.066350 862.4945       52.70399 0.000000       0.000000 862.4945       52.70399 ?        ?        132.5703 4.066350 ?              ?        
1 1 1 8   13 22 o 66.69212 5.452578 219.8641       35.28405 0.000000       0.000000 219.8641       35.28405 ?        ?        66.69212 5.452578 ?              ?        
1 1 1 8   13 23 o 196.8518 4.866100 1901.991       93.76194 1923.000       157.7781 1890.521       116.5802 197.2502 8.189713 196.0054 6.083828 1.244873       10.20217 
1 1 1 8   13 24 o 149.3037 4.944858 1095.712       72.16573 1065.000       96.87810 1134.000       108.1682 146.9182 6.754722 151.5085 7.315464 -4.590286      9.957022 
1 1 1 8   13 25 o 54.66521 4.278617 147.5211       22.71166 164.7000       31.84845 129.7456       32.39686 57.59717 5.724825 50.90375 6.661700 6.693417       8.783614 
1 1 1 8   13 26 o 162.7626 4.313475 1301.268       68.66023 1235.000       109.6071 1344.067       88.08416 158.0665 7.102370 165.2412 5.453417 -7.174683      8.954519 
1 1 1 8   13 27 o 112.8575 3.717282 625.5452       41.00806 564.1000       61.10454 675.8985       55.31501 106.8788 5.863306 117.1786 4.833056 -10.29976      7.598473 
1 1 1 8   13 28 o 149.3557 4.123679 1096.263       60.22779 1058.000       95.50566 1121.527       77.60396 146.2304 6.690171 150.8736 5.262959 -4.643158      8.512175 
1 1 1 8   13 29 o 105.9366 3.650190 551.5844       37.79361 542.6000       57.23227 558.5316       50.32750 104.7684 5.601261 106.4320 4.843585 -1.663528      7.405028 
1 1 1 8   13 30 o 74.08884 4.006946 270.5668       28.95032 246.3000       45.83879 286.6692       37.33982 70.20574 6.753665 76.11469 5.040233 -5.908951      8.427096 
1 1 1 8   13 31 o 179.8385 3.964362 1590.606       69.78503 1610.797       97.14419 1569.075       100.3140 180.4874 5.505184 178.0448 5.763667 2.442596       7.970377 
1 1 1 8   13 32 o 124.3142 3.980238 761.4467       48.37000 750.4000       80.40748 767.7112       60.55128 122.6497 6.723387 124.5911 4.975127 -1.941437      8.363959 
1 1 1 8   13 33 o 108.9817 3.954104 585.8086       42.11019 660.3000       73.47248 549.3684       51.38800 114.9538 6.556924 105.2873 5.000604 9.666504       8.246169 
1 1 1 8   13 34 o 103.1334 3.959525 525.1479       39.89710 521.7000       66.52519 527.0845       49.85872 101.9707 6.702220 103.0699 4.956532 -1.099136      8.335884 
1 1 1 8   13 35 o 119.9745 3.342239 709.2618       39.21111 701.9865       52.68497 718.2958       58.70855 119.0201 4.530582 120.2355 4.999320 -1.215424      6.746805 
1 1 1 8   13 36 o 51.60051 4.356529 132.6947       21.79858 110.5752       25.17337 199.0000       43.58400 46.77899 5.609484 62.40580 7.271076 -15.62681      9.183401 
1 1 1 8   13 37 o 40.22367 5.067232 81.71883       19.50894 89.16557       22.90944 62.07000       37.21345 41.86892 5.741087 34.14072 10.28844 7.728199       11.78186 
1 1 1 8   13 38 o 44.42406 4.555676 98.99794       19.52934 108.5272       24.52503 82.48401       32.28531 46.28187 5.522516 39.32697 8.624959 6.954903       10.24149 
1 1 1 8   13 39 o 19.94939 7.487782 15.77609       19.79449 27.48043       21.35167 -55.80000      52.80101 23.62789 7.877668 20.48225 9.727026 3.145638       12.51690 
1 1 1 8   13 40 o 85.24340 3.473960 359.8128       28.92551 387.3435       38.23384 322.9659       44.23232 88.12722 4.446694 79.96889 5.687961 8.158325       7.219833 
1 1 1 8   13 41 o 89.96339 4.057618 402.8306       35.63887 408.5528       40.21653 381.9000       76.91544 90.40424 4.559465 84.55909 9.454436 5.845154       10.49643 
1 1 1 8   13 42 o 15.53751 6.694629 -0.2652845     18.47345 7.062444       23.48991 -12.14479      29.90858 18.82695 7.797816 17.79309 8.043002 1.033854       11.20249 
1 1 1 8   13 43 o 27.16335 7.203520 39.66713       19.46303 30.50654       25.19879 53.21331       30.64265 24.68279 8.553003 31.05709 9.330878 -6.374292      12.65777 
1 1 1 8   13 44 o 87.43240 3.494488 380.7368       29.84602 398.5634       40.79490 360.2054       43.78035 88.83741 4.708226 84.06595 5.348238 4.771461       7.125380 
1 1 1 8   13 45 o 85.10538 5.222595 369.2808       43.29652 0.000000       0.000000 369.2808       43.29652 ?        ?        85.10538 5.222595 ?              ?        
1 1 1 8   13 46 o 32.75961 6.059886 56.86960       18.71610 69.05257       25.38765 42.36580       27.70045 35.53380 7.533290 27.76087 8.957363 7.772928       11.70405 
1 1 1 8   13 47 o 33.38290 6.063440 59.13149       19.08342 86.31989       25.96653 27.20018       28.14041 40.11219 6.859850 23.93862 8.939556 16.17357       11.26824 
1 1 1 8   13 48 o 30.57982 6.549341 50.60620       19.01303 43.56711       25.65088 59.18913       28.32446 27.88322 8.570128 32.19320 8.757913 -4.309980      12.25349 
1 1 1 8   13 49 o 67.04204 4.021781 226.9409       26.27064 235.7565       33.00511 211.7000       43.39717 67.77048 5.010918 62.68465 7.203623 5.085838       8.775048 
1 1 1 8   13 50 o 17.62622 7.018775 10.71542       18.17339 10.66290       24.82929 10.77602       26.67159 19.43941 8.031017 19.92789 8.286261 -0.4884815     11.53947 
1 1 1 8   13 51 o 22.84813 8.119769 27.09861       22.80711 4.590183       25.47200 118.1000       51.21703 18.40724 7.895080 42.66521 11.84492 -24.25797      14.23497 
1 1 1 8   13 52 o 32.12364 6.437612 56.27133       19.53635 53.06676       26.63633 60.00224       28.74067 30.20154 8.598396 31.95856 8.873271 -1.757019      12.35586 
1 1 1 8   13 53 o 44.86213 4.902101 104.4710       21.17631 103.9794       29.81181 104.9717       30.08572 43.34666 7.284398 43.53308 7.319980 -0.1864128     10.32688 
1 1 1 8   13 54 o 24.06535 8.165937 31.84358       22.93800 23.28000       39.62549 36.15932       28.13029 24.33558 10.10791 25.52179 9.022748 -1.186213      13.54916 
1 1 1 8   13 55 o 43.24738 5.942928 99.83521       24.49289 157.9000       43.20586 72.33922       29.73179 52.28578 8.751145 35.08797 8.700049 17.19781       12.33991 
1 1 1 8   13 56 o 23.99452 8.090648 31.95576       22.51558 34.29000       40.85826 30.93779       26.98215 26.13148 10.48408 24.05560 8.794363 2.075882       13.68418 
1 1 1 8   13 57 o 20.41495 7.987861 18.23792       23.16830 3.664000       43.79607 23.90120       27.30116 22.16734 9.899156 22.39416 8.697056 -0.2268219     13.17695 
1 1 1 8   13 58 o 39.98709 7.422796 90.68416       27.98381 111.4000       47.59607 79.74000       34.59482 40.60003 11.47204 35.74292 9.660090 4.857113       14.99750 
1 1 1 8   13 59 o 37.90844 6.231783 78.87062       22.32075 81.74397       33.38270 76.54739       30.01742 36.26192 9.346231 35.58357 8.693648 0.6783447      12.76447 
1 1 1 8   14 0  o 177.2390 4.469702 1539.785       77.48141 1335.000       126.8605 1661.626       97.85291 164.7415 7.890082 184.0567 5.437413 -19.31519      9.582216 
1 1 1 8   14 1  o 502.8588 10.90289 12442.22       536.6534 12560.00       937.8281 12384.87       654.3811 502.1104 19.11665 500.8539 13.35985 1.256500       23.32234 
1 1 1 8   14 2  o 286.8085 7.998081 4040.791       224.3158 4504.000       342.8220 3694.000       296.6290 302.2106 11.61078 273.7406 11.09350 28.47000       16.05852 
1 1 1 8   14 3  o 209.8010 6.242513 2160.048       128.0530 2192.000       185.5639 2131.000       176.9329 211.0431 9.003578 208.1187 8.704647 2.924469       12.52339 
1 1 1 8   14 4  o 209.1807 4.373677 2143.473       89.55185 2092.950       126.3110 2194.536       126.9825 206.5075 6.256052 211.4748 6.141005 -4.967300      8.766420 
1 1 1 8   14 5  o 342.1642 7.586663 5746.226       254.0923 5419.000       423.5854 5930.157       317.5740 331.0958 13.09600 347.2165 9.352637 -16.12064      16.09276 
1 1 1 8   14 6  o 159.9617 4.264111 1254.358       66.70573 1469.000       126.6900 1172.028       78.46272 172.8380 7.506434 154.5560 5.193840 18.28198       9.128117 
1 1 1 8   14 7  o 86.56844 4.583940 368.2117       38.70383 0.000000       0.000000 368.2117       38.70383 ?        ?        86.56844 4.583940 ?              ?        
1 1 1 8   14 8  o 77.20716 5.016563 293.3811       37.70615 281.6000       52.73934 305.7000       53.92968 75.39888 7.234675 78.60537 7.085184 -3.206490      10.12622 
1 1 1 8   14 9  o 214.3932 5.137254 2253.140       107.8073 2080.000       177.2903 2354.723       135.7992 205.4851 8.835157 218.9908 6.341952 -13.50568      10.87568 
1 1 1 8   14 10 o 147.9701 3.482419 1072.410       50.43839 1003.000       98.95159 1096.775       58.62640 142.7517 7.103985 149.5692 4.008080 -6.817566      8.156672 
1 1 1 8   14 11 o 180.4421 3.911259 1595.160       69.08131 1547.000       135.3721 1612.118       80.32784 177.2504 7.821793 181.3667 4.524830 -4.116241      9.036289 
1 1 1 8   14 12 o 208.8017 4.333992 2136.651       88.57853 2078.000       173.7867 2157.235       102.9559 205.3194 8.666792 209.7570 5.014511 -4.437592      10.01292 
1 1 1 8   14 13 o 298.9261 5.822552 4384.481       170.3662 4212.000       330.6376 4446.828       198.7866 291.6553 11.60497 300.9115 6.749041 -9.256226      13.42479 
1 1 1 8   14 14 o 179.4216 3.889583 1577.425       68.30994 1640.000       138.6218 1557.356       78.50324 182.4532 7.779862 178.1834 4.504666 4.269791       8.989898 
1 1 1 8   14 15 o 134.7691 3.349899 889.7509       44.19045 855.8000       86.20573 901.8523       51.46695 131.8174 6.703250 135.6053 3.881438 -3.787918      7.745910 
1 1 1 8   14 16 o 262.8721 5.218990 3390.266       134.2880 3330.000       263.7252 3411.362       156.0309 259.3754 10.40877 263.5777 6.047775 -4.202240      12.03819 
1 1 1 8   14 17 o 211.2311 4.399325 2187.710       90.95995 2134.000       176.7861 2207.048       106.0784 207.8882 8.707122 212.0948 5.109646 -4.206528      10.09566 
1 1 1 8   14 18 o 221.8388 5.236668 2415.151       113.7100 2373.000       193.5749 2437.360       140.5075 219.1175 9.044831 222.6056 6.455294 -3.488129      11.11215 
1 1 1 8   14 19 f 374.9411 7.193622 6917.659       264.0079 6731.000       513.3842 6984.770       307.8305 366.6521 14.33242 376.4001 8.355179 -9.747986      16.58997 
1 1 1 8   14 20 o 264.0575 5.273347 3422.950       136.2985 3484.000       271.4242 3402.364       157.6116 265.0112 10.48422 263.1231 6.119599 1.888031       12.13953 
1 1 1 8   14 21 o 289.2725 6.571510 4115.697       186.0709 4446.000       336.1317 3969.760       223.4266 298.9211 11.50956 283.6337 8.055843 15.28748       14.04873 
1 1 1 8   14 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 23 o 69.23839 3.422579 235.5597       23.12376 286.5000       41.79903 213.0943       27.75828 76.14300 5.648512 65.76138 4.336569 10.38161       7.121202 
1 1 1 8   14 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   14 25 o 148.1453 3.567014 1076.270       51.72482 1231.000       104.1630 1025.627       59.59125 157.8881 6.755584 144.4995 4.217692 13.38860       7.964097 
1 1 1 8   14 26 o 258.9140 5.180301 3296.198       131.2855 3234.025       181.4556 3364.496       190.1832 255.7892 7.254724 260.8295 7.456845 -5.040298      10.40363 
1 1 1 8   14 27 o 137.3187 3.412518 924.9633       45.86812 947.6451       62.41385 898.3279       67.63491 138.7880 4.600694 135.0387 5.126202 3.749313       6.887984 
1 1 1 8   14 28 o 186.9695 4.702722 1720.448       85.99666 1679.000       141.0183 1744.989       108.5083 183.7880 7.856974 187.9988 5.903918 -4.210800      9.827934 
1 1 1 8   14 29 o 151.2418 4.140831 1125.293       61.24303 1067.000       96.71048 1164.320       79.13171 146.6389 6.755954 153.6000 5.271051 -6.961044      8.568950 
1 1 1 8   14 30 o 188.5314 4.735083 1752.377       87.31194 1748.000       144.9394 1754.870       109.3871 187.0677 7.933569 188.2709 5.943213 -1.203171      9.912785 
1 1 1 8   14 31 o 102.4766 3.629473 516.9631       36.34865 496.7000       54.17859 533.5495       49.01754 100.0539 5.553859 103.8781 4.834083 -3.824158      7.362996 
1 1 1 8   14 32 o 88.50427 3.572775 385.9360       30.88749 338.9000       43.59339 433.3542       43.77015 82.55721 5.424657 93.54901 4.796061 -10.99181      7.240795 
1 1 1 8   14 33 o 92.32604 3.163418 419.5599       28.54598 410.4994       37.14909 432.6232       44.60658 91.13050 4.175745 93.38839 4.896885 -2.257889      6.435553 
1 1 1 8   14 34 o 58.21207 4.841164 168.9725       27.33531 191.3000       47.57501 157.9687       33.39874 60.98806 8.175150 55.93581 6.204279 5.052254       10.26285 
1 1 1 8   14 35 o 74.30889 5.137319 275.6727       37.13659 294.8000       55.33753 260.0000       50.09158 76.02039 7.535832 71.45615 7.262542 4.564247       10.46581 
1 1 1 8   14 36 o 82.35361 4.911857 338.1839       39.41458 399.9000       59.80727 290.8000       52.40467 88.79213 6.936351 75.54451 7.172923 13.24762       9.978166 
1 1 1 8   14 37 o 142.8462 3.583760 1008.253       50.06921 986.1589       67.78808 1034.777       74.27247 140.6747 4.930639 143.9159 5.281412 -3.241257      7.225268 
1 1 1 8   14 38 o 68.07819 4.023225 230.3572       26.68995 223.3127       29.81244 258.8000       59.90473 66.87326 4.582171 70.18929 8.920594 -3.316032      10.02862 
1 1 1 8   14 39 o 42.70207 4.603268 91.76883       18.93709 89.08678       23.14073 97.20653       32.94968 41.72639 5.824259 42.80917 8.161171 -1.082783      10.02630 
1 1 1 8   14 40 o 45.48080 4.513243 103.9983       19.82723 92.66349       24.26175 126.7892       34.40298 42.46745 6.003853 49.27898 7.357278 -6.811535      9.496094 
1 1 1 8   14 41 o 95.07860 3.431963 448.1733       31.88736 453.2265       42.03035 441.3202       48.94680 95.16620 4.525013 93.48573 5.371616 1.680466       7.023532 
1 1 1 8   14 42 o 38.83826 6.484583 79.07454       23.78319 75.53313       25.78618 99.25000       61.54757 37.64188 7.261693 40.71690 13.36713 -3.075024      15.21224 
1 1 1 8   14 43 o 36.40453 5.791504 69.05769       19.94670 45.82705       25.61320 104.8596       31.79700 28.91697 8.492261 44.18501 7.627604 -15.26804      11.41485 
1 1 1 8   14 44 o 14.06758 6.609588 -21.29329      23.19981 -28.91000      42.95496 -18.15643      27.56620 19.55608 9.125051 16.06311 7.431499 3.492973       11.76834 
1 1 1 8   14 45 o 62.72324 3.707926 197.0783       22.66333 189.0408       29.34226 208.9636       35.68115 60.87458 4.967529 63.56532 5.798498 -2.690735      7.635374 
1 1 1 8   14 46 o 69.74032 3.507392 243.1022       23.86592 250.6856       31.60549 233.0414       36.40387 70.29142 4.619207 67.21815 5.583282 3.073273       7.246387 
1 1 1 8   14 47 o 37.38730 5.263179 72.64497       18.72857 84.94716       24.60887 55.71215       28.87123 39.90397 6.525771 31.25164 8.969479 8.652330       11.09221 
1 1 1 8   14 48 o 36.69936 5.886856 71.22822       20.43222 82.11089       25.46969 51.58000       34.22296 38.93613 6.937292 29.94884 9.973049 8.987295       12.14857 
1 1 1 8   14 49 o 46.61300 4.548351 111.1968       20.48865 96.92641       27.44489 129.1627       30.79412 42.34978 6.854799 49.18027 6.560399 -6.830494      9.488261 
1 1 1 8   14 50 o 29.61481 7.790920 49.71725       22.88367 56.66033       25.38632 19.62000       52.85513 31.45026 8.172903 25.99570 11.26251 5.454561       13.91548 
1 1 1 8   14 51 o 35.46913 5.735737 66.99716       19.23408 76.31741       25.94389 55.62264       28.66078 36.97340 7.426787 30.74379 8.970753 6.229607       11.64610 
1 1 1 8   14 52 o 26.11960 7.188876 38.14621       18.95691 54.93630       26.28888 19.95802       27.36152 30.76818 8.464684 21.79271 8.633375 8.975477       12.09074 
1 1 1 8   14 53 o 17.63626 7.093415 10.49989       18.75328 -1.965568      26.48819 23.02756       26.55421 17.54860 7.775533 22.26627 8.596298 -4.717674      11.59117 
1 1 1 8   14 54 o 33.90458 6.342185 62.59221       20.27412 78.10120       28.54909 46.81339       28.79638 36.87739 8.128402 28.24104 9.134591 8.636351       12.22750 
1 1 1 8   14 55 o 26.36275 7.380308 39.35289       19.79439 21.91018       27.89341 57.04822       28.09468 22.16253 8.736568 31.00786 8.831528 -8.845329      12.42270 
1 1 1 8   14 56 o 20.27973 7.440554 20.21392       19.34094 11.42608       27.90742 28.33564       26.82889 20.07456 8.420947 23.40450 8.731009 -3.329937      12.13025 
1 1 1 8   14 57 o 23.75432 8.567222 30.79061       25.48914 -18.79000      39.70079 65.56000       33.24619 18.85888 8.790703 32.46861 9.710956 -13.60973      13.09882 
1 1 1 8   14 58 o 21.58659 8.049652 23.92297       22.80045 18.04000       42.16333 26.35429       27.10551 23.39897 10.09812 22.70449 8.705878 0.6944714      13.33283 
1 1 1 8   14 59 o 44.95552 6.052249 110.1612       25.95621 114.8000       46.98834 108.1240       31.13820 40.79509 11.35280 43.30575 7.624186 -2.510654      13.67531 
1 1 1 8   15 0  o 318.1580 6.166713 4964.101       192.0449 5085.195       277.1541 4852.262       266.3528 321.5574 8.813867 314.1255 8.670885 7.431854       12.36400 
1 1 1 8   15 1  o 274.1237 5.413454 3683.414       145.2537 3490.917       199.7208 3899.564       211.6362 266.5460 7.662947 281.7247 7.681822 -15.17868      10.85040 
1 1 1 8   15 2  o 290.4939 6.567498 4139.670       186.7425 4015.000       319.5474 4204.331       230.1293 285.1788 11.47094 292.4734 8.046223 -7.294647      14.01157 
1 1 1 8   15 3  o 333.6897 7.432795 5466.235       242.7734 5893.000       445.6891 5286.184       289.4911 345.0894 13.21898 327.7875 9.031309 17.30188       16.00956 
1 1 1 8   15 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   15 5  o 305.8469 6.870287 4590.779       205.6767 0.000000       0.000000 4590.779       205.6767 ?        ?        305.8469 6.870287 ?              ?        
1 1 1 8   15 6  o 256.0939 5.101262 3214.872       127.8742 3057.000       248.1751 3271.935       149.2054 248.9301 10.20697 258.2875 5.901670 -9.357422      11.79033 
1 1 1 8   15 7  o 74.91560 3.995283 275.7344       29.19124 269.7000       53.64980 278.2722       34.79225 73.72029 7.541029 75.20114 4.750916 -1.480850      8.912818 
1 1 1 8   15 8  o 228.2064 5.393768 2553.724       120.4832 2411.000       201.0602 2633.689       150.4967 221.1218 9.310245 231.5410 6.647260 -10.41919      11.43970 
1 1 1 8   15 9  o 226.8874 5.376382 2524.496       119.4007 2343.000       196.9633 2629.945       150.1317 217.9555 9.253384 231.3611 6.636280 -13.40559      11.38707 
1 1 1 8   15 10 o 154.4237 5.174120 1170.684       78.09853 0.000000       0.000000 1170.684       78.09853 ?        ?        154.4237 5.174120 ?              ?        
1 1 1 8   15 11 o 90.18980 3.066952 398.8441       27.03575 373.9000       56.54310 406.2370       30.78256 87.00311 6.690906 90.99976 3.462192 -3.996643      7.533591 
1 1 1 8   15 12 o 274.1006 5.410937 3685.593       145.1740 3721.000       291.1929 3673.882       167.4707 274.2389 10.86942 273.5579 6.254369 0.6810303      12.54039 
1 1 1 8   15 13 o 139.1848 3.915876 950.0715       53.29605 875.3000       89.89260 990.6016       66.18271 133.2913 6.913576 142.0555 4.766459 -8.764145      8.397420 
1 1 1 8   15 14 o 57.08800 3.392232 160.2266       18.87009 88.26000       42.00677 178.4205       21.12111 41.46460 10.37594 60.23713 3.598575 -18.77253      10.98225 
1 1 1 8   15 15 o 67.79551 3.141790 225.6356       20.79226 233.2000       46.09525 223.7034       23.29698 68.52415 6.969231 67.47601 3.539692 1.048141       7.816623 
1 1 1 8   15 16 o 391.2050 8.609669 7544.723       329.6834 7526.000       569.2842 7554.170       404.3990 387.5813 15.03434 390.5876 10.58732 -3.006287      18.38812 
1 1 1 8   15 17 o 67.47872 3.580741 223.7679       23.56614 203.5000       45.30937 231.2840       27.59192 63.88691 7.381104 68.56020 4.130692 -4.673286      8.458328 
1 1 1 8   15 18 o 201.3542 4.270021 1988.138       84.15830 1812.000       156.7851 2059.428       99.74606 191.5158 8.383929 204.8611 4.974277 -13.34528      9.748524 
1 1 1 8   15 19 o 167.1936 3.805177 1370.314       62.27314 1250.000       115.5273 1419.589       73.93367 159.1517 7.436513 170.0652 4.445217 -10.91350      8.663815 
1 1 1 8   15 20 o 212.8144 6.200751 2228.376       129.0292 2052.000       173.9733 2444.000       192.3584 203.6711 8.747031 222.2776 8.858905 -18.60655      12.44953 
1 1 1 8   15 21 o 107.5215 3.768990 567.4999       39.60538 663.8000       68.48316 519.1059       48.54744 116.0408 6.050195 102.7256 4.841783 13.31525       7.749047 
1 1 1 8   15 22 o 194.9449 4.167858 1864.304       79.52998 2034.000       164.2471 1812.332       90.89638 202.7589 8.293338 192.0700 4.838678 10.68887       9.601680 
1 1 1 8   15 23 o 119.7647 3.898942 704.2668       45.64602 798.8000       76.66618 652.3538       56.81327 127.2612 6.173036 115.1321 5.053665 12.12911       7.977839 
1 1 1 8   15 24 o 104.2394 4.682542 534.6990       47.65516 0.000000       0.000000 534.6990       47.65516 ?        ?        104.2394 4.682542 ?              ?        
1 1 1 8   15 25 o 90.51537 3.942452 402.8211       34.84593 0.000000       0.000000 402.8211       34.84593 ?        ?        90.51537 3.942452 ?              ?        
1 1 1 8   15 26 f 163.9943 3.735511 1319.816       59.96323 1368.904       83.67506 1267.995       85.97325 166.7378 5.133024 160.3995 5.483948 6.338303       7.511432 
1 1 1 8   15 27 o 155.9681 3.646504 1194.067       55.66966 1321.633       79.72215 1072.666       77.77167 163.8055 4.977927 147.4720 5.396830 16.33353       7.342039 
1 1 1 8   15 28 o 90.45447 3.132688 401.9213       27.69474 418.8039       36.62516 379.3781       42.32220 92.22202 4.067319 87.63174 4.954195 4.590279       6.409925 
1 1 1 8   15 29 o 53.00526 3.689641 138.7138       19.02346 124.4585       23.53099 165.6089       32.32125 50.02316 4.867238 57.60176 5.811925 -7.578598      7.580797 
1 1 1 8   15 30 o 117.4966 3.254249 678.6118       37.39072 669.1879       49.33644 691.3290       57.31230 116.4810 4.334758 118.2544 4.962386 -1.773438      6.589037 
1 1 1 8   15 31 o 60.87038 3.933270 183.1809       23.30960 164.0000       31.16782 207.5251       35.11322 57.26731 5.633071 64.48531 5.618986 -7.218006      7.956412 
1 1 1 8   15 32 o 114.6797 3.767324 648.4041       42.23145 617.6000       63.57962 672.7255       56.49474 111.3413 5.854426 116.5007 4.965584 -5.159477      7.676675 
1 1 1 8   15 33 o 117.2756 3.789393 678.6845       43.44234 642.2000       65.61028 707.1667       57.97015 113.4020 5.931402 119.3634 4.972552 -5.961372      7.740013 
1 1 1 8   15 34 o 72.97864 4.231114 264.1961       30.09473 253.9000       37.40299 283.1000       50.68102 71.23589 5.404481 74.70557 7.012846 -3.469681      8.853724 
1 1 1 8   15 35 o 109.9255 3.802120 597.4340       40.84850 595.0000       61.94835 599.3065       54.33457 108.9613 5.829548 109.6661 5.075478 -0.7047882     7.729431 
1 1 1 8   15 36 o 68.80891 3.508056 234.2678       23.54951 233.0958       30.08879 236.1209       37.83418 68.39201 4.519964 68.48049 5.695832 -0.8847809E-01 7.271353 
1 1 1 8   15 37 o 58.88459 6.542335 177.0089       37.07284 192.1000       49.71218 158.1000       55.64603 60.49215 8.640963 53.70856 10.95641 6.783596       13.95382 
1 1 1 8   15 38 o 32.10054 8.228514 55.06850       25.97270 28.40000       44.22484 69.10947       32.08969 27.84856 10.99372 35.75539 9.136251 -7.906830      14.29451 
1 1 1 8   15 39 o 19.49053 8.081724 7.061675       25.27090 -42.29000      43.69135 31.87195       30.97849 19.00328 8.972154 26.15498 9.443239 -7.151701      13.02591 
1 1 1 8   15 40 o 58.40664 3.969828 170.1880       22.56063 182.1539       28.83178 151.2906       36.23263 60.12753 4.942417 53.96563 7.025895 6.161900       8.590150 
1 1 1 8   15 41 o 21.04112 7.283962 21.25443       18.27391 17.35736       22.63633 28.54637       30.96407 20.89559 7.969778 25.17170 9.381836 -4.276112      12.31000 
1 1 1 8   15 42 o 48.50459 4.527812 118.9388       21.24861 147.0574       27.34900 76.11519       33.75093 53.68883 5.272083 36.85954 9.343711 16.82928       10.72846 
1 1 1 8   15 43 o 68.72011 6.257355 244.9534       41.62903 223.8000       51.78348 283.6000       69.99337 64.22660 8.441148 70.70208 10.42647 -6.475479      13.41508 
1 1 1 8   15 44 o 39.29671 5.153371 79.60950       19.34507 81.44598       24.95232 76.84255       30.62792 39.07820 6.768393 37.07376 8.606024 2.004440       10.94873 
1 1 1 8   15 45 o 29.30321 6.449450 46.17733       17.99637 39.56020       22.70012 57.37271       29.52654 26.83788 8.023646 31.79186 9.053439 -4.953981      12.09726 
1 1 1 8   15 46 o 29.53903 6.296972 46.84888       17.65014 59.50118       22.43367 26.29242       28.59499 33.02468 7.147686 23.78286 8.983792 9.241825       11.48033 
1 1 1 8   15 47 o 26.98630 7.118093 40.05555       19.06956 43.04639       23.07920 33.62000       33.85447 27.75813 8.035648 25.96157 9.782102 1.796564       12.65943 
1 1 1 8   15 48 o 43.06445 4.833344 95.53938       20.02262 117.1289       27.09684 69.57330       29.71668 47.13024 6.010271 34.79357 8.738627 12.33667       10.60599 
1 1 1 8   15 49 o 23.56280 8.053324 29.60778       22.31566 31.42821       24.68303 21.46000       52.21941 24.27281 8.461862 26.25504 11.28335 -1.982231      14.10379 
1 1 1 8   15 50 o 13.96672 6.235020 -4.438831      17.35972 4.212498       23.28216 -15.27046      26.05126 17.68477 7.565837 15.61332 7.223759 2.071450       10.46062 
1 1 1 8   15 51 o 21.90472 7.348223 25.56668       18.57417 8.745452       24.91027 46.62971       27.87469 18.96731 7.956159 28.30445 8.970147 -9.337143      11.99016 
1 1 1 8   15 52 o 37.71276 5.693258 75.65266       20.36230 94.13329       28.21564 55.56738       29.41509 41.19849 7.262108 30.58010 9.131525 10.61839       11.66717 
1 1 1 8   15 53 o 22.95837 7.441715 28.91470       19.10591 50.42399       26.45304 5.457829       27.62470 29.32971 8.634899 19.02930 8.192721 10.30042       11.90303 
1 1 1 8   15 54 o 32.59689 6.509309 58.31441       20.04152 58.94350       28.28985 57.68056       28.39644 31.54857 8.819769 31.18461 8.877829 0.3639565      12.51416 
1 1 1 8   15 55 o 32.21264 6.661742 57.43219       20.31104 54.73485       28.52420 60.20650       28.92836 30.25812 8.981667 31.72481 8.936573 -1.466686      12.67015 
1 1 1 8   15 56 o 33.47039 7.128470 62.98735       22.63806 68.18572       30.08299 56.20000       34.37460 33.68813 8.965783 30.18299 9.993364 3.505144       13.42582 
1 1 1 8   15 57 o 38.97757 5.786075 81.76990       21.40627 77.91602       30.88673 85.33199       29.69452 35.97050 8.837102 38.20353 8.187054 -2.233028      12.04667 
1 1 1 8   15 58 o 40.60412 7.225809 93.57388       27.66584 116.1210       32.32772 31.87000       53.47929 45.00036 7.610315 26.29799 11.36109 18.70237       13.67448 
1 1 1 8   16 0  f 113.1255 3.223088 627.2434       35.65298 634.8566       53.60861 621.2054       47.74168 113.7073 4.827580 112.5114 4.343216 1.195869       6.493771 
1 1 1 8   16 1  o 173.5645 4.510931 1477.259       76.57115 1414.714       92.98766 1609.000       134.9553 169.7558 5.603899 180.8197 7.642199 -11.06395      9.476649 
1 1 1 8   16 2  o 148.9218 3.534011 1086.286       51.51484 1140.000       108.4202 1070.624       58.54559 152.1853 7.299610 147.7702 4.051455 4.415085       8.348569 
1 1 1 8   16 3  o 390.2185 8.579575 7488.492       327.7025 0.000000       0.000000 7488.492       327.7025 ?        ?        390.2185 8.579575 ?              ?        
1 1 1 8   16 4  o 202.4343 6.047840 2012.331       119.7025 0.000000       0.000000 2012.331       119.7025 ?        ?        202.4343 6.047840 ?              ?        
1 1 1 8   16 5  o 221.6756 5.253783 2409.583       113.9977 0.000000       0.000000 2409.583       113.9977 ?        ?        221.6756 5.253783 ?              ?        
1 1 1 8   16 6  o 130.3412 4.820680 833.9711       61.39703 0.000000       0.000000 833.9711       61.39703 ?        ?        130.3412 4.820680 ?              ?        
1 1 1 8   16 7  o 127.2619 3.925909 794.2882       48.84558 729.4000       83.17319 828.4497       60.34886 121.6598 7.014152 129.9106 4.753915 -8.250809      8.473372 
1 1 1 8   16 8  o 79.99240 3.919036 314.2801       30.59217 311.1000       54.90220 315.7120       36.84160 79.25600 7.153973 80.11111 4.719192 -0.8551178     8.570303 
1 1 1 8   16 9  o 53.49311 4.913184 141.4867       25.43859 102.4000       45.96719 158.7420       30.54179 44.65888 10.66324 56.61008 5.584467 -11.95120      12.03706 
1 1 1 8   16 10 o 373.8413 8.273592 6877.910       302.7524 6572.000       507.0623 7047.381       377.4084 363.1823 14.29154 377.7375 10.21678 -14.55530      17.56789 
1 1 1 8   16 11 o 33.98052 7.208175 58.90317       23.23135 7.720000       41.09669 82.93931       28.16278 24.86699 10.30818 40.45058 7.384897 -15.58359      12.68051 
1 1 1 8   16 12 o 125.7689 3.305448 775.4339       40.65680 687.7000       79.40573 806.6060       47.33163 118.0898 6.899687 128.2418 3.774754 -10.15203      7.864759 
1 1 1 8   16 13 o 94.27939 3.131454 435.8987       28.85798 340.1000       57.86074 467.6192       33.29461 82.85220 7.206282 97.63027 3.489653 -14.77807      8.006759 
1 1 1 8   16 14 o 105.0824 3.160497 541.4398       32.47117 426.6000       62.90517 583.1545       37.91268 92.88567 6.969636 109.0326 3.557162 -16.14690      7.824911 
1 1 1 8   16 15 o 167.2111 4.276339 1371.816       69.93375 1373.000       123.1427 1371.253       84.96469 166.8405 7.560160 167.0764 5.201714 -0.2359467     9.176810 
1 1 1 8   16 16 o 200.2232 4.844463 1966.907       94.94373 1805.000       156.8920 2060.459       119.2598 191.1489 8.405932 204.7138 5.958033 -13.56485      10.30329 
1 1 1 8   16 17 o 65.19856 3.352024 208.8489       21.32019 133.2000       44.20270 231.7833       24.33837 51.17962 9.159939 68.67246 3.633717 -17.49284      9.854359 
1 1 1 8   16 18 o 184.8089 4.052237 1674.709       73.30338 1528.000       137.3495 1733.140       86.68041 175.8726 7.999471 187.8839 4.717031 -12.01134      9.286653 
1 1 1 8   16 19 o 206.5344 6.241471 2099.337       126.0337 2155.000       176.9327 2042.000       179.5739 208.7192 8.679371 203.0672 9.057147 5.651993       12.54446 
1 1 1 8   16 20 o 187.5086 4.065756 1724.397       74.62234 1981.000       159.9278 1652.982       84.36971 200.1704 8.179633 183.4597 4.702163 16.71065       9.434868 
1 1 1 8   16 21 o 62.49520 3.607947 192.1268       21.97672 173.2000       43.69355 198.5365       25.42715 58.74334 7.790830 63.48499 4.114010 -4.741650      8.810342 
1 1 1 8   16 22 f 236.8014 5.564032 2756.752       128.9674 2422.000       204.2341 2978.763       166.3235 220.8262 9.470699 245.7552 6.921135 -24.92897      11.73014 
1 1 1 8   16 23 o 138.8340 3.487016 945.7784       47.34913 881.6000       88.46825 971.5425       56.05313 133.5504 6.789906 140.6475 4.075867 -7.097107      7.919312 
1 1 1 8   16 24 o 147.1834 3.558151 1062.587       51.26128 1166.000       102.7473 1028.316       59.14836 153.5667 6.852712 144.6692 4.181349 8.897552       8.027660 
1 1 1 8   16 25 o 110.8931 4.688920 605.5130       50.78115 0.000000       0.000000 605.5130       50.78115 ?        ?        110.8931 4.688920 ?              ?        
1 1 1 8   16 26 o 212.8164 4.455339 2226.407       92.80943 2318.940       131.7417 2135.236       130.7684 216.6550 6.218674 207.8197 6.436265 8.835297       8.949716 
1 1 1 8   16 27 o 128.5434 3.356360 811.5560       42.19421 887.8448       58.81231 730.6397       60.56975 134.2705 4.481159 121.6756 5.096934 12.59489       6.786717 
1 1 1 8   16 28 f 95.21819 3.212292 445.5662       29.89640 470.4869       39.79824 413.2899       45.29238 97.71171 4.170722 91.41228 5.081911 6.299423       6.574248 
1 1 1 8   16 29 o 164.8932 4.339721 1340.054       69.98309 1370.913       84.56723 1273.000       124.6580 166.5320 5.194329 159.3741 8.016648 7.157944       9.552366 
1 1 1 8   16 30 o 110.4938 3.234990 600.4426       34.95015 630.1269       47.01644 563.7808       52.25085 112.9948 4.258561 106.6968 5.017110 6.298019       6.580785 
1 1 1 8   16 31 o 116.9904 3.282837 673.5472       37.55573 703.0822       50.63939 637.4465       55.98577 119.2859 4.344293 113.3805 5.057404 5.905441       6.667099 
1 1 1 8   16 32 o 55.56611 3.706893 152.7963       20.04635 135.4719       24.75435 185.8034       34.16853 52.08015 4.914032 60.84905 5.807104 -8.768898      7.607244 
1 1 1 8   16 33 o 114.7123 4.442977 652.1465       49.79302 624.4000       64.88328 691.9000       77.66335 111.6874 5.956567 117.1962 6.799312 -5.508858      9.039433 
1 1 1 8   16 34 o 104.2791 3.739941 537.4489       38.11223 505.8000       56.72791 563.4874       51.45476 100.4709 5.792891 106.3898 4.954659 -5.918869      7.622744 
1 1 1 8   16 35 o 68.90740 4.660716 236.8082       31.25086 212.5000       36.47541 303.9000       60.59807 64.92107 5.801011 76.70802 8.197641 -11.78695      10.04256 
1 1 1 8   16 36 o 94.40107 4.534177 443.6517       41.77438 431.0000       51.18160 468.9000       72.30268 92.60052 5.673935 95.50937 7.801885 -2.908852      9.646914 
1 1 1 8   16 37 o 27.94091 7.243811 41.22052       19.97409 52.04000       25.83238 25.13473       31.49796 31.22511 8.307337 24.85020 9.419309 6.374914       12.55927 
1 1 1 8   16 38 o 18.55633 7.345272 10.59553       19.79091 -5.742000      25.46029 35.53875       31.45911 17.29541 7.645194 27.08845 9.544768 -9.793039      12.22913 
1 1 1 8   16 39 o 71.83454 4.126035 257.2676       28.88960 249.4000       40.19400 265.6758       41.55196 70.05099 5.917219 72.31233 5.922308 -2.261345      8.371811 
1 1 1 8   16 40 o 106.6849 4.261557 568.3569       44.41224 622.0000       76.48353 541.0676       54.55151 109.6608 7.164651 103.4629 5.405364 6.197952       8.974976 
1 1 1 8   16 41 o 20.37178 8.191409 12.73514       25.00094 -29.11000      41.87866 35.90643       31.16344 19.41815 9.043764 26.76358 9.493405 -7.345428      13.11161 
1 1 1 8   16 42 o 25.03775 8.341731 32.75417       23.94217 -7.440000      36.70839 62.51141       31.58495 20.22538 9.045204 33.30008 9.322849 -13.07470      12.98966 
1 1 1 8   16 43 o 49.52090 5.416646 126.2307       25.82803 99.79000       39.09201 146.7141       34.40750 41.77243 9.740727 52.70717 6.829675 -10.93474      11.89648 
1 1 1 8   16 44 o 19.19345 7.525934 13.55718       20.60297 23.45819       22.14968 -50.00000      56.11903 22.10233 7.984330 20.89644 9.953302 1.205889       12.76001 
1 1 1 8   16 45 o 45.74559 4.360387 106.3082       19.28862 111.5191       24.42523 97.67396       31.44069 46.38496 5.485701 42.15215 7.910670 4.232811       9.626610 
1 1 1 8   16 46 o 13.31582 6.080414 -9.428710      17.63692 -10.19176      21.10111 -7.660000      32.12613 14.63624 6.670854 18.67666 8.398529 -4.040420      10.72546 
1 1 1 8   16 47 o 11.55253 5.501379 -19.89477      17.12405 -37.56248      22.06110 6.884829       27.16059 11.83784 5.781962 19.42418 8.235995 -7.586340      10.06294 
1 1 1 8   16 48 o 19.03425 7.643134 12.40927       21.73456 4.508360       23.91536 49.90000       52.09552 18.01949 7.687408 30.28420 11.93917 -12.26471      14.20000 
1 1 1 8   16 49 o 60.37585 3.846545 184.3210       22.61393 198.6902       30.74991 167.3961       33.37269 61.94645 5.116920 56.13460 6.175610 5.811852       8.020040 
1 1 1 8   16 50 o 21.82551 7.329477 25.35870       18.47912 13.97486       24.82016 39.51695       27.67994 19.98823 8.116888 26.41178 8.970282 -6.423552      12.09751 
1 1 1 8   16 51 o 50.09767 4.336389 128.4219       21.05516 137.8617       28.87578 117.7050       30.76713 51.01696 5.890514 46.39994 6.991181 4.617027       9.141924 
1 1 1 8   16 52 o 19.08595 7.221469 16.32858       18.49424 3.910923       25.50451 30.09867       26.85751 18.20473 7.855142 23.93193 8.770033 -5.727207      11.77356 
1 1 1 8   16 53 o 18.88553 7.254922 15.38007       18.84718 5.931457       25.89761 26.01912       27.48065 18.64415 7.977960 23.02047 8.781007 -4.376316      11.86398 
1 1 1 8   16 54 o 37.43379 5.857725 75.10871       20.76022 80.82041       28.81051 68.94003       29.94088 37.48335 8.089985 34.04055 8.890626 3.442799       12.02044 
1 1 1 8   16 55 o 33.88221 6.442317 62.99760       20.58517 51.16598       28.86387 75.24471       29.36630 29.23873 9.108806 35.78307 8.509275 -6.544336      12.46508 
1 1 1 8   16 56 o 15.40604 6.727605 0.2015221      19.17478 -18.51877      27.56857 17.74418       26.68736 15.54694 7.272661 20.91891 8.444902 -5.371980      11.14486 
1 1 1 8   16 57 o 29.48755 8.501525 52.26842       25.88182 51.18645       29.90230 55.50000       51.67795 28.83533 9.306776 29.54481 11.81210 -0.7094746     15.03801 
1 1 1 8   16 58 o 24.10837 7.902328 33.68488       21.51372 55.55376       29.57277 9.100000       31.35543 29.81227 9.208933 20.06373 8.683571 9.748535       12.65736 
1 1 1 8   17 0  o 457.7175 8.648765 10310.69       387.4876 11010.00       811.4241 10104.11       441.0235 468.5324 17.72499 452.7018 9.952755 15.83057       20.32812 
1 1 1 8   17 1  o 153.7044 4.167680 1158.594       62.64494 1296.000       117.6868 1104.267       73.99990 162.2258 7.431159 149.9826 5.047813 12.24315       8.983459 
1 1 1 8   17 2  f 209.7649 6.190577 2161.577       126.9681 0.000000       0.000000 2161.577       126.9681 ?        ?        209.7649 6.190577 ?              ?        
1 1 1 8   17 3  o 265.9721 5.273239 3469.506       137.2840 3850.000       295.5269 3364.801       155.0264 279.0224 10.84124 261.8407 6.048703 17.18173       12.41448 
1 1 1 8   17 4  o 187.4329 5.733762 1725.324       105.0705 0.000000       0.000000 1725.324       105.0705 ?        ?        187.4329 5.733762 ?              ?        
1 1 1 8   17 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 7  o 162.9767 3.705109 1301.417       59.10616 1277.000       118.8989 1309.432       68.11931 160.9784 7.566956 163.3927 4.262875 -2.414291      8.685098 
1 1 1 8   17 8  o 278.4187 5.498108 3803.481       149.8366 3661.000       292.3816 3854.228       174.4912 271.8977 11.00873 280.1487 6.363246 -8.250977      12.71546 
1 1 1 8   17 9  f 201.6850 6.139088 1999.209       121.0536 1955.000       167.9570 2047.000       174.6292 199.0278 8.642003 203.6380 8.781600 -4.610245      12.32074 
1 1 1 8   17 10 o 277.5888 6.366990 3785.271       172.9985 3486.000       282.6989 3964.441       218.7379 265.2198 10.91291 283.6939 7.884773 -18.47415      13.46333 
1 1 1 8   17 11 o 150.8820 4.230347 1116.938       62.41525 1021.000       102.8875 1172.803       78.51175 143.8847 7.329508 154.5159 5.198452 -10.63121      8.985855 
1 1 1 8   17 12 o 224.7272 5.382382 2478.713       118.3958 2171.000       188.1219 2680.535       152.3528 209.5482 9.194064 233.4243 6.674893 -23.87607      11.36156 
1 1 1 8   17 13 o 147.8804 3.533877 1071.648       51.15265 883.6000       95.79727 1146.649       60.49954 133.7994 7.342787 152.8841 4.046369 -19.08472      8.383890 
1 1 1 8   17 14 o 76.30257 3.481182 285.8985       25.93143 188.7000       50.24459 321.1886       30.27513 61.26844 8.615801 80.85696 3.836213 -19.58852      9.431254 
1 1 1 8   17 15 o 136.4190 3.851746 913.0140       51.38114 852.4000       89.71863 942.5963       62.67746 131.4361 6.998909 138.5396 4.628512 -7.103500      8.390939 
1 1 1 8   17 16 o 32.65798 5.319190 53.70768       16.41894 0.000000       0.000000 53.70768       16.41894 ?        ?        32.65798 5.319190 ?              ?        
1 1 1 8   17 17 o 267.0294 6.132118 3505.218       160.2787 3528.000       278.3992 3493.923       196.0235 266.4926 10.69448 266.1963 7.530719 0.2962341      13.07989 
1 1 1 8   17 18 o 177.6763 4.576105 1550.074       79.51885 1517.000       135.1443 1567.589       98.34499 175.2036 7.900735 178.5284 5.634857 -3.324799      9.704289 
1 1 1 8   17 19 o 252.6776 5.087003 3135.444       125.8157 3002.000       242.8953 3184.376       147.0856 245.8024 10.11710 254.4903 5.904631 -8.687927      11.71411 
1 1 1 8   17 20 o 63.67490 3.567313 199.4117       22.14501 232.8000       47.78811 190.2812       24.99015 68.33871 7.254798 62.14174 4.131933 6.196964       8.348950 
1 1 1 8   17 21 o 62.83108 4.158110 194.5493       25.42885 0.000000       0.000000 194.5493       25.42885 ?        ?        62.83108 4.158110 ?              ?        
1 1 1 8   17 22 o 51.36254 4.102865 130.2916       20.45582 166.6000       42.52790 119.3628       23.33216 57.55805 7.744883 49.04267 4.927116 8.515385       9.179308 
1 1 1 8   17 23 o 137.4592 4.061513 928.3121       54.58727 0.000000       0.000000 928.3121       54.58727 ?        ?        137.4592 4.061513 ?              ?        
1 1 1 8   17 24 o 286.4043 5.668100 4040.465       158.8998 3996.000       312.0968 4056.024       184.6199 281.9157 11.33313 286.6356 6.580247 -4.719910      13.10494 
1 1 1 8   17 25 o 163.1759 4.385808 1309.762       69.98708 1250.000       112.8842 1347.077       89.19986 158.6986 7.286422 165.2421 5.522653 -6.543503      9.142847 
1 1 1 8   17 26 f 68.26430 3.982294 229.7723       26.49374 239.2000       39.65285 222.1697       35.60824 69.35564 5.896850 66.89645 5.486182 2.459190       8.054255 
1 1 1 8   17 27 o 162.3336 3.748433 1295.051       59.56134 1361.324       83.41277 1226.107       85.07677 166.0575 5.137959 157.4786 5.527864 8.578964       7.546914 
1 1 1 8   17 28 o 216.7337 4.535581 2314.916       96.22002 2398.897       136.3845 2231.691       135.7689 219.8179 6.345276 211.9120 6.553314 7.905945       9.121866 
1 1 1 8   17 29 o 92.53074 3.226402 421.2235       29.17734 430.4375       38.23405 408.3756       45.14857 93.37231 4.194073 90.75182 5.103117 2.620491       6.605456 
1 1 1 8   17 30 o 120.3249 3.310338 712.5148       38.95121 700.8712       51.54303 728.0179       59.47525 119.0769 4.429903 121.1941 5.024484 -2.117264      6.698468 
1 1 1 8   17 31 o 112.7299 3.269027 625.7112       36.03338 613.8818       47.54675 641.6725       55.22974 111.3951 4.369096 113.7137 4.974001 -2.318573      6.620399 
1 1 1 8   17 32 o 37.90211 5.300953 72.71838       19.12925 70.47215       22.16294 79.28000       37.87962 37.04812 6.339347 38.48362 9.974775 -1.435493      11.81878 
1 1 1 8   17 33 o 47.25388 4.205837 111.3068       19.25037 91.80438       23.82273 148.0031       32.67815 42.48596 5.886433 54.00184 6.300427 -11.51588      8.622382 
1 1 1 8   17 34 o 55.64196 4.357532 154.3301       23.54363 133.8386       25.86863 253.2000       56.82227 51.58878 5.193454 69.84413 8.485437 -18.25536      9.948598 
1 1 1 8   17 35 o 104.4493 3.739222 540.0005       38.16732 527.4540       43.70670 580.3000       78.33145 103.0251 4.343846 106.4733 7.565319 -3.448219      8.723706 
1 1 1 8   17 36 f 87.74812 3.347944 380.6356       28.70284 378.1432       36.72987 384.5449       46.00122 87.17234 4.318057 87.50705 5.396824 -0.3347092     6.911680 
1 1 1 8   17 37 o 70.73947 3.619812 248.2079       24.98088 245.0229       31.39119 253.7082       41.25188 69.99567 4.607359 70.70698 6.017516 -0.7113113     7.578803 
1 1 1 8   17 38 o 85.66466 3.441722 363.5390       28.80042 349.9250       36.56868 385.7764       46.73689 83.69245 4.480252 87.44999 5.487680 -3.757538      7.084299 
1 1 1 8   17 39 o 67.98312 4.224572 231.1038       27.97298 184.3000       38.17560 285.3697       41.10630 59.73247 6.641500 74.97231 5.642876 -15.23984      8.715020 
1 1 1 8   17 40 o 22.12515 7.783966 23.43649       20.91682 34.90000       28.29548 9.624432       31.05899 26.22932 9.064590 21.39838 8.923296 4.830938       12.71975 
1 1 1 8   17 41 o 40.72171 5.662775 85.86600       21.96169 101.1000       29.52901 67.00892       32.85332 43.58192 7.171287 34.47191 9.454373 9.110008       11.86645 
1 1 1 8   17 42 o 19.66555 7.411544 16.26523       19.43684 23.36000       26.14293 7.496265       29.06425 22.86649 8.600373 20.30641 8.560390 2.560081       12.13452 
1 1 1 8   17 43 o 19.96702 7.443034 17.50631       19.49003 22.68000       26.05234 10.93044       29.37129 22.60951 8.567266 20.92091 8.697042 1.688604       12.20805 
1 1 1 8   17 44 o 17.58822 7.167980 8.424982       19.43868 35.91000       26.84717 -21.86172      28.18231 25.93315 8.833894 15.75502 7.364508 10.17813       11.50103 
1 1 1 8   17 45 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   17 46 o 36.43246 6.569344 71.42412       22.56532 63.84000       34.28915 77.21779       29.96961 32.93052 9.865139 36.90685 8.475055 -3.976330      13.00567 
1 1 1 8   17 47 o 29.96630 9.175575 51.90358       29.43812 42.70000       34.81710 74.98000       55.13135 27.83081 10.01604 34.51765 12.57833 -6.686832      16.07904 
1 1 1 8   17 48 f 44.82712 5.647861 105.6942       24.23280 91.36000       36.49724 116.9956       32.40693 39.20242 9.591280 46.09647 7.435225 -6.894051      12.13570 
1 1 1 8   17 49 o 21.50424 7.747731 23.28303       20.83965 68.37000       32.28770 -8.911532      27.28367 33.81723 9.410742 16.83003 7.637293 16.98720       12.11983 
1 1 1 8   17 50 o 31.04454 6.488804 52.82426       19.08175 59.99955       25.89025 44.29166       28.23304 32.24477 8.188886 27.64482 9.052144 4.599949       12.20652 
1 1 1 8   17 51 o 31.54854 6.366236 54.42658       18.98065 46.86375       26.00424 63.05002       27.76786 28.34608 8.612902 32.79868 8.559780 -4.452606      12.14298 
1 1 1 8   17 52 o 22.55416 7.599003 27.54934       19.86238 14.21628       25.04505 50.15000       32.60749 20.01040 8.143308 28.96626 9.736310 -8.955870      12.69288 
1 1 1 8   17 53 o 32.54854 6.835874 58.81218       21.08455 62.53572       27.01580 53.01000       33.72369 32.69989 8.397344 29.60528 9.900933 3.094612       12.98244 
1 1 1 8   17 54 o 17.57575 7.230356 9.088135       20.01222 23.00395       26.03695 -11.00000      31.28280 22.02974 8.510244 17.60135 8.060192 4.428391       11.72139 
1 1 1 8   17 55 o 26.38112 7.744134 40.02322       21.30317 36.45658       27.85366 45.05000       33.06723 25.36979 8.977415 27.57618 9.779337 -2.206398      13.27514 
1 1 1 8   17 56 o 38.22305 7.200647 82.47539       25.95230 108.7512       29.89133 2.022000       52.30453 44.02448 7.184096 23.19417 10.54460 20.83031       12.75930 
1 1 1 8   17 57 o 15.21763 6.638442 0.7726290      18.62821 -6.433039      27.41756 6.950945       25.38790 16.85318 7.651042 18.37144 7.880923 -1.518265      10.98396 
1 1 1 8   18 0  o 216.0868 6.402866 2295.057       135.2788 2211.000       189.7190 2382.000       192.9480 211.6093 9.181310 219.6933 8.991576 -8.084015      12.85087 
1 1 1 8   18 1  o 180.5507 3.961955 1597.515       70.01883 1471.000       136.8792 1642.353       81.48727 172.7040 8.119821 183.0287 4.548459 -10.32472      9.306985 
1 1 1 8   18 2  o 199.2860 5.992043 1951.329       116.7520 1929.000       166.3607 1973.000       163.8916 197.7291 8.616241 200.0172 8.389740 -2.288040      12.02611 
1 1 1 8   18 3  o 246.7182 5.733308 2987.412       138.4563 3257.000       255.2788 2875.056       164.8018 256.6417 10.18226 241.7735 6.971093 14.86819       12.33996 
1 1 1 8   18 4  o 115.6018 4.605204 656.2798       52.00555 0.000000       0.000000 656.2798       52.00555 ?        ?        115.6018 4.605204 ?              ?        
1 1 1 8   18 5  o 361.5653 8.014986 6434.557       283.6585 0.000000       0.000000 6434.557       283.6585 ?        ?        361.5653 8.014986 ?              ?        
1 1 1 8   18 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   18 7  o 312.0210 7.011384 4786.729       214.1380 0.000000       0.000000 4786.729       214.1380 ?        ?        312.0210 7.011384 ?              ?        
1 1 1 8   18 8  o 239.3419 4.859647 2809.939       113.8491 2758.000       225.6964 2827.666       131.8538 236.1082 9.787007 240.0051 5.612625 -3.896851      11.28216 
1 1 1 8   18 9  o 60.84122 3.644485 182.0486       21.60454 146.0000       50.01999 190.3158       23.95414 53.52996 9.911348 62.18610 3.955836 -8.656136      10.67162 
1 1 1 8   18 10 o 142.6772 4.162021 998.8932       58.06317 1002.000       100.0127 997.3137       71.31148 142.5318 7.191891 142.4688 5.122013 0.6294250E-01  8.829400 
1 1 1 8   18 11 o 227.2351 5.429335 2534.906       120.7614 2493.000       205.9295 2556.871       149.0871 224.4728 9.393109 227.9398 6.689348 -3.466934      11.53160 
1 1 1 8   18 12 o 116.3643 5.024000 665.7256       57.08881 611.3000       75.56458 738.1000       87.13824 111.2548 6.974022 122.2393 7.316169 -10.98443      10.10759 
1 1 1 8   18 13 o 216.1440 5.151914 2293.194       108.9978 2233.000       187.3141 2324.011       134.0256 212.4565 9.027871 217.3421 6.306627 -4.885590      11.01254 
1 1 1 8   18 14 o 76.90466 4.067438 290.8097       30.50933 0.000000       0.000000 290.8097       30.50933 ?        ?        76.90466 4.067438 ?              ?        
1 1 1 8   18 15 o 128.6370 3.920106 812.0739       49.30180 0.000000       0.000000 812.0739       49.30180 ?        ?        128.6370 3.920106 ?              ?        
1 1 1 8   18 16 o 167.8532 4.418806 1383.195       72.53757 1359.000       125.3909 1395.365       88.92804 165.8451 7.745663 168.4622 5.399971 -2.617111      9.442192 
1 1 1 8   18 17 o 176.1874 4.549863 1524.352       78.39996 1416.000       130.7591 1585.165       97.96100 169.2243 7.916044 179.5191 5.581673 -10.29475      9.686011 
1 1 1 8   18 18 o 214.1438 5.154327 2252.648       108.0398 0.000000       0.000000 2252.648       108.0398 ?        ?        214.1438 5.154327 ?              ?        
1 1 1 8   18 19 o 170.6959 3.849446 1429.101       64.31724 1431.000       128.6723 1428.469       74.25987 170.0767 7.749551 170.5382 4.452438 -0.4614868     8.937547 
1 1 1 8   18 20 o 175.7516 3.936412 1515.416       67.71828 1387.000       128.3621 1564.940       79.71359 167.3553 7.857886 178.4674 4.566928 -11.11217      9.088631 
1 1 1 8   18 21 o 80.49122 3.270130 318.1878       25.71074 329.8000       52.95150 314.6055       29.41035 81.50745 6.696035 79.99051 3.766839 1.516937       7.682836 
1 1 1 8   18 22 o 217.2864 4.533760 2319.608       96.42671 2639.000       206.2350 2230.251       109.0846 230.2259 9.170050 212.9240 5.233987 17.30190       10.55862 
1 1 1 8   18 23 o 115.1008 3.860750 651.1220       43.43513 0.000000       0.000000 651.1220       43.43513 ?        ?        115.1008 3.860750 ?              ?        
1 1 1 8   18 24 o 97.16863 3.213539 463.7168       30.52236 452.9000       57.72032 467.9155       35.96162 95.57011 6.203741 97.54355 3.773588 -1.973442      7.261293 
1 1 1 8   18 25 o 101.8621 3.273690 509.7771       32.59807 580.7000       63.77948 484.6987       37.92600 108.2397 6.043884 99.23937 3.911997 9.000374       7.199462 
1 1 1 8   18 26 o 66.95004 3.399453 220.6951       22.20457 224.3695       28.23771 214.7420       35.94204 67.38582 4.303585 65.69048 5.644443 1.695343       7.097928 
1 1 1 8   18 27 o 116.4145 3.886444 667.4434       44.22383 755.5000       73.82262 618.1546       55.23093 123.3031 6.135867 111.7830 5.060905 11.52003       7.953718 
1 1 1 8   18 28 o 109.0679 3.853015 586.2919       41.06967 625.1000       66.55946 562.4319       52.18949 112.0472 6.091704 106.5630 5.017552 5.484299       7.892066 
1 1 1 8   18 29 o 117.2186 3.294421 676.2156       37.76165 696.7393       50.63238 650.4920       56.68476 118.7387 4.363845 114.5308 5.068915 4.207893       6.688576 
1 1 1 8   18 30 o 36.52619 5.179896 67.41170       18.00078 52.28956       22.29984 95.69370       30.49651 31.66266 7.338781 43.05398 7.509472 -11.39132      10.49999 
1 1 1 8   18 31 o 99.13806 3.567561 485.0330       34.56284 490.9984       41.00711 470.4000       64.22545 99.58363 4.216469 96.56639 6.839019 3.017235       8.034351 
1 1 1 8   18 32 o 64.27483 3.499100 204.2946       21.93121 207.4634       28.02477 199.2878       35.22695 64.56670 4.461761 62.92148 5.784334 1.645222       7.305192 
1 1 1 8   18 33 o 105.9797 3.702555 555.3489       38.34977 561.6321       44.43324 537.0000       75.93193 106.3985 4.275151 102.5430 7.619509 3.855499       8.736923 
1 1 1 8   18 34 o 111.8777 3.799023 619.6610       41.54237 645.0619       48.72007 552.0000       79.51569 113.9387 4.376621 103.6305 7.898477 10.30820       9.029991 
1 1 1 8   18 35 o 64.09359 3.641821 203.7442       22.75352 205.4042       28.56657 200.8633       37.63233 64.11006 4.582463 62.86092 6.196585 1.249142       7.706921 
1 1 1 8   18 36 o 69.75935 3.595284 241.3239       24.46664 228.9867       30.30801 264.4057       41.45571 67.66425 4.603477 72.24564 5.913991 -4.581398      7.494483 
1 1 1 8   18 37 o 68.55809 3.638434 233.3856       24.32885 221.4226       30.29323 255.1200       40.83197 66.45789 4.686916 70.86543 5.941175 -4.407539      7.567348 
1 1 1 8   18 38 o 51.68007 4.273644 133.9209       21.42551 126.5412       26.65853 147.3841       36.00730 49.81435 5.562138 53.17680 7.094553 -3.362446      9.014991 
1 1 1 8   18 39 o 45.62930 5.432206 106.5435       23.78620 85.01000       33.04234 129.7050       34.26869 39.35830 8.798237 49.61815 7.271615 -10.25986      11.41426 
1 1 1 8   18 40 o 29.22454 6.493662 45.53417       18.09332 16.05158       21.78635 111.0685       32.48149 20.25761 7.795446 45.57629 7.544732 -25.31868      10.84859 
1 1 1 8   18 41 o 41.16955 4.730764 86.50735       18.71794 82.17442       22.98406 95.04049       32.25446 39.57532 6.131473 41.61476 8.210114 -2.039436      10.24700 
1 1 1 8   18 42 o 50.04268 4.124492 126.3773       20.02387 111.6939       24.74084 154.2594       34.09283 46.45839 5.550234 54.14968 6.566223 -7.691284      8.597696 
1 1 1 8   18 43 o 60.70671 3.685128 184.7543       21.79441 177.4371       27.24432 197.7593       36.32091 59.02478 4.755813 61.57943 6.106134 -2.554646      7.739679 
1 1 1 8   18 44 o 20.30808 7.179038 20.04545       17.80832 -7.372357      21.12284 87.43000       33.11433 15.09860 6.798038 39.26395 8.830892 -24.16535      11.14441 
1 1 1 8   18 45 o 17.50475 6.798162 11.63624       16.68086 13.80960       21.08439 7.999818       27.27298 19.25981 7.594686 19.67493 8.293193 -0.4151154     11.24528 
1 1 1 8   18 46 o 50.52340 6.656709 136.5822       32.11976 138.9000       38.21058 131.0000       59.29891 49.99743 8.083527 44.46383 12.88315 5.533604       15.20917 
1 1 1 8   18 47 o 51.55013 5.073265 137.4966       25.26769 171.6000       39.79179 114.4541       32.70839 56.01680 7.441071 45.50571 7.611862 10.51108       10.64472 
1 1 1 8   18 48 o 35.82178 6.889502 70.57008       23.27982 68.41000       36.54720 72.04492       30.19900 33.38413 10.22392 35.07180 8.809682 -1.687672      13.49589 
1 1 1 8   18 49 o 66.59293 4.382513 226.6880       28.40775 278.5000       46.68373 196.2208       35.79866 71.86579 6.714182 60.74021 6.103874 11.12558       9.074002 
1 1 1 8   18 50 o 48.53493 5.209159 122.9789       24.36053 114.9000       40.24034 127.6524       30.60599 43.78778 9.649280 48.57513 6.608236 -4.787354      11.69519 
1 1 1 8   18 51 o 28.54415 7.698987 46.56810       22.00096 120.2000       37.69492 8.525309       27.09480 45.43030 8.794660 19.41609 8.229007 26.01420       12.04419 
1 1 1 8   18 52 o 31.92332 8.062454 58.97872       25.19543 51.05000       37.02059 65.82000       34.38828 29.13366 10.34586 32.67718 9.899446 -3.543522      14.31907 
1 1 1 8   18 53 o 29.37823 8.294145 50.49339       24.88985 97.12000       37.41817 13.49000       33.33392 39.87234 9.684861 21.56083 9.132236 18.31151       13.31143 
1 1 1 8   18 54 o 18.15577 7.713926 6.667966       23.90934 -5.599000      36.91818 15.53000       31.37895 19.66888 8.908993 21.47619 8.963464 -1.807308      12.63779 
1 1 1 8   18 55 o 35.30325 10.92525 82.31000       41.60084 82.31000       41.60084 0.000000       0.000000 35.30325 10.92525 ?        ?        ?              ?        
1 1 1 8   18 56 o 33.46542 7.967223 65.88667       25.72088 135.1000       42.33168 25.38000       32.38425 46.79420 9.565249 23.12451 9.314221 23.66969       13.35098 
1 1 1 8   18 57 o 19.11523 7.849128 13.32804       23.52762 82.57000       39.70889 -24.13000      29.20623 35.00741 10.64445 15.29589 7.255394 19.71152       12.88197 
1 1 1 8   19 0  o 181.0567 3.968299 1606.795       70.32751 1644.000       145.5113 1595.455       80.33321 182.5179 8.165561 180.3165 4.555137 2.201401       9.350169 
1 1 1 8   19 1  o 150.4243 4.128499 1110.064       60.73032 1139.000       111.3095 1097.800       72.46652 151.9609 7.506549 149.5114 4.958589 2.449524       8.996437 
1 1 1 8   19 2  o 157.6389 4.309327 1219.280       66.43110 1320.000       121.7042 1176.536       79.28389 163.5960 7.621174 154.7542 5.241595 8.841782       9.249682 
1 1 1 8   19 3  o 85.05387 4.621471 355.8258       38.33063 0.000000       0.000000 355.8258       38.33063 ?        ?        85.05387 4.621471 ?              ?        
1 1 1 8   19 4  f 284.8787 5.616613 3984.199       156.6176 4400.000       335.3723 3868.227       177.1174 297.6849 11.53151 280.5638 6.449459 17.12112       13.21254 
1 1 1 8   19 5  o 224.7368 4.630008 2477.155       101.8503 2432.000       203.3686 2492.272       117.6707 221.7497 9.390718 225.3427 5.334805 -3.592987      10.80027 
1 1 1 8   19 6  o 63.04700 5.375705 196.5159       32.85849 0.000000       0.000000 196.5159       32.85849 ?        ?        63.04700 5.375705 ?              ?        
1 1 1 8   19 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   19 8  o 225.1337 5.344178 2488.107       117.7681 0.000000       0.000000 2488.107       117.7681 ?        ?        225.1337 5.344178 ?              ?        
1 1 1 8   19 9  o 44.13010 4.581397 96.54933       19.50206 55.46000       48.20343 104.5913       21.32531 34.74370 11.83697 45.92102 4.815921 -11.17731      12.77916 
1 1 1 8   19 10 o 99.47837 4.207324 486.1332       40.87512 0.000000       0.000000 486.1332       40.87512 ?        ?        99.47837 4.207324 ?              ?        
1 1 1 8   19 11 o 246.3934 7.092504 2990.633       170.8767 2840.000       233.9141 3163.000       250.2215 239.3310 10.00715 252.5523 10.14264 -13.22130      14.24838 
1 1 1 8   19 12 o 164.9241 5.428566 1337.211       87.51519 1170.000       116.2422 1556.000       132.9674 153.8886 7.741920 177.5360 7.669696 -23.64746      10.89778 
1 1 1 8   19 13 f 99.16319 4.128348 483.0691       39.98362 449.1000       66.73200 502.0940       49.94056 95.22921 7.212721 101.0061 5.067443 -5.776917      8.814893 
1 1 1 8   19 14 o 67.95277 3.395492 226.8790       22.51324 259.3000       53.62450 219.9418       24.80519 72.11848 7.716228 66.86902 3.805467 5.249466       8.603590 
1 1 1 8   19 15 o 226.8086 5.400119 2527.267       119.8861 2402.000       201.2274 2596.197       149.2696 220.0858 9.362291 229.5608 6.650057 -9.474960      11.48372 
1 1 1 8   19 16 o 60.25753 4.019190 178.8888       23.57035 140.5000       50.29978 189.6902       26.68105 52.34134 10.18446 62.01602 4.424406 -9.674679      11.10399 
1 1 1 8   19 17 o 186.1842 4.043185 1700.580       73.68388 1531.000       140.4252 1765.011       86.55709 175.8262 8.181777 189.6038 4.663903 -13.77757      9.417721 
1 1 1 8   19 18 o 16.89189 6.272147 10.77868       13.81446 -67.32000      42.92288 19.80320       14.59080 17.36259 8.382522 20.29324 6.496488 -2.930645      10.60524 
1 1 1 8   19 19 o 50.93405 3.877980 128.0188       19.18859 152.3000       47.89027 123.3752       20.94324 54.66667 9.281474 49.94480 4.326613 4.721874       10.24038 
1 1 1 8   19 20 o 244.3702 4.961893 2935.621       118.6866 2698.000       223.3996 3029.065       140.0929 232.5714 9.835611 248.0356 5.770269 -15.46419      11.40330 
1 1 1 8   19 21 o 132.8968 4.073312 868.0160       52.92435 817.7000       85.64377 899.1008       67.31577 128.4913 6.834090 135.0987 5.099643 -6.607422      8.527083 
1 1 1 8   19 22 o 171.7067 3.866498 1447.659       64.98473 1552.000       132.4636 1414.588       74.57568 176.7840 7.673310 169.5781 4.496811 7.205917       8.893874 
1 1 1 8   19 23 o 238.0591 4.866711 2789.823       113.4035 2551.000       211.8698 2885.718       134.2541 225.5545 9.618548 241.8646 5.670861 -16.31006      11.16580 
1 1 1 8   19 24 o 116.3010 3.882205 665.4518       44.13256 0.000000       0.000000 665.4518       44.13256 ?        ?        116.3010 3.882205 ?              ?        
1 1 1 8   19 25 o 146.5188 3.587384 1054.892       51.44906 984.3000       95.54498 1083.720       61.05712 140.5888 6.964741 148.3367 4.209407 -7.747864      8.137980 
1 1 1 8   19 26 o 166.5526 3.825573 1364.682       62.36689 1506.576       89.38051 1230.044       87.06527 174.5267 5.238010 157.5434 5.655142 16.98334       7.708268 
1 1 1 8   19 27 o 73.77406 3.338798 268.0956       24.04767 301.9406       30.96739 216.6830       38.16740 78.18520 4.060359 65.80816 5.990854 12.37704       7.237185 
1 1 1 8   19 28 o 96.58747 3.209879 459.1953       30.30484 437.0933       38.64282 494.5036       48.84168 94.03796 4.208829 99.83419 5.014153 -5.796234      6.546448 
1 1 1 8   19 29 o 101.4147 3.245389 506.5042       32.17471 526.2904       41.94543 478.2211       50.14965 103.1740 4.161985 98.04742 5.244555 5.126549       6.695333 
1 1 1 8   19 30 o 114.6706 3.654652 649.0245       40.96845 695.6647       49.71261 550.3000       72.32671 118.5357 4.291692 104.3367 7.124745 14.19901       8.317489 
1 1 1 8   19 31 o 87.34133 3.203953 376.2110       27.34484 396.4891       35.54532 346.8105       42.80032 89.46115 4.069871 83.30862 5.275789 6.152534       6.663168 
1 1 1 8   19 32 o 87.71800 3.669604 380.6044       31.43793 388.3625       35.72889 354.0000       66.16353 88.48306 4.136729 82.82438 8.271725 5.658676       9.248458 
1 1 1 8   19 33 o 74.49825 3.351696 274.3745       24.37829 279.0363       30.93034 266.7292       39.60983 74.90739 4.235718 72.80038 5.601613 2.107018       7.022775 
1 1 1 8   19 34 o 48.85944 4.151927 119.2144       19.66870 118.1092       24.00244 121.4736       34.31643 48.37403 5.148160 48.28076 7.505113 0.9327698E-01  9.101114 
1 1 1 8   19 35 o 38.06680 5.181598 73.71514       18.80634 82.59525       22.85677 55.10397       33.08968 40.08811 6.009969 32.05452 9.710714 8.033592       11.42006 
1 1 1 8   19 36 o 90.51808 3.286785 405.3799       29.07309 376.6818       36.00698 459.1340       49.27941 86.93648 4.244171 95.53728 5.290363 -8.600800      6.782399 
1 1 1 8   19 37 o 14.14045 6.239799 -3.985483      16.89021 -18.90108      20.12867 31.50806       31.05056 13.20998 6.190701 25.95938 9.442694 -12.74940      11.29111 
1 1 1 8   19 38 o 32.06218 9.476649 56.63848       31.80973 0.000000       0.000000 56.63848       31.80973 ?        ?        32.06218 9.476649 ?              ?        
1 1 1 8   19 39 o 28.25789 6.413969 42.52074       17.33336 22.07316       20.39075 95.78518       32.91023 21.58545 7.676920 41.91558 8.315042 -20.33013      11.31702 
1 1 1 8   19 40 o 59.69487 3.576853 178.0491       20.80405 154.0655       25.01043 231.9134       37.48120 55.10737 4.680912 67.11944 5.760707 -12.01207      7.422714 
1 1 1 8   19 41 o 63.88337 3.432417 203.6776       21.38437 175.3011       25.67464 267.9502       38.64001 58.84310 4.491558 72.24948 5.505271 -13.40638      7.105076 
1 1 1 8   19 42 f 12.76777 5.749063 -6.114717      15.11051 -10.75782      17.81623 5.784983       28.52198 13.21141 6.062126 19.75072 8.409601 -6.539310      10.36681 
1 1 1 8   19 43 o 29.16150 6.029912 45.42564       16.64311 42.96294       19.04039 53.40000       34.26239 28.04100 6.967769 30.54781 9.970078 -2.506805      12.16356 
1 1 1 8   19 44 o 18.79145 6.648237 16.92057       15.27476 18.08505       18.44657 14.38035       27.24485 19.80078 7.266210 20.90375 8.498407 -1.102976      11.18127 
1 1 1 8   19 45 o 21.46302 7.158699 24.01422       17.63181 18.77675       18.62693 69.14000       54.67556 19.98947 7.307100 33.60089 12.47772 -13.61142      14.45984 
1 1 1 8   19 46 o 27.35118 6.168139 40.53166       16.11831 20.16879       19.24371 88.39863       29.50444 20.46716 7.435351 39.77915 7.856339 -19.31199      10.81695 
1 1 1 8   19 47 o 41.90303 5.008562 91.32067       20.13667 91.22598       21.59842 91.95000       55.68310 41.67569 5.423095 36.90157 12.71765 4.774120       13.82565 
1 1 1 8   19 48 o 29.51976 6.019892 47.23731       16.80408 52.17702       20.74232 37.80409       28.66399 30.56433 7.073418 25.98736 9.114578 4.576975       11.53728 
1 1 1 8   19 49 f 20.86110 6.803772 23.19439       15.95724 34.05229       19.46468 0.9408134      27.86596 24.67255 7.442114 18.39304 8.069064 6.279512       10.97701 
1 1 1 8   19 50 o 19.28703 6.796521 18.68277       15.95131 7.441438       19.85989 39.11770       26.77655 17.20921 7.152573 26.15900 8.823058 -8.949797      11.35807 
1 1 1 8   19 51 o 44.08719 4.598027 100.4992       19.55092 89.51821       22.96676 129.4000       37.25917 40.89138 5.909189 47.49498 8.317469 -6.603603      10.20288 
1 1 1 8   19 52 o 34.06797 9.879779 71.82000       34.85950 0.000000       0.000000 71.82000       34.85950 ?        ?        34.06797 9.879779 ?              ?        
1 1 1 8   19 53 o 16.54037 7.667725 -15.57000      29.56793 0.000000       0.000000 -15.57000      29.56793 ?        ?        16.54037 7.667725 ?              ?        
1 1 1 8   19 54 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   19 55 o 27.30791 9.661631 45.11000       32.26009 0.000000       0.000000 45.11000       32.26009 ?        ?        27.30791 9.661631 ?              ?        
1 1 1 8   19 56 o 28.57814 9.604344 51.44000       31.72964 0.000000       0.000000 51.44000       31.72964 ?        ?        28.57814 9.604344 ?              ?        
1 1 1 8   20 0  o 299.4628 5.865732 4405.006       171.9378 4794.000       365.7189 4294.631       194.8096 310.3632 12.06142 295.5160 6.734778 14.84726       13.81431 
1 1 1 8   20 1  o 355.1833 7.918667 6215.460       275.3029 6690.000       501.5902 6010.876       329.3436 365.6489 14.04062 348.5948 9.661425 17.05417       17.04354 
1 1 1 8   20 2  o 183.3882 4.021095 1648.811       72.18085 1754.000       152.4340 1618.408       81.95087 188.4416 8.284405 181.5816 4.614530 6.860001       9.482892 
1 1 1 8   20 3  o 224.4358 6.565430 2478.808       144.0770 2731.000       218.8831 2286.000       191.3853 234.8839 9.540201 214.9721 9.116063 19.91180       13.19538 
1 1 1 8   20 4  o 117.6929 3.360979 679.3037       38.67920 707.5000       84.11655 671.7432       43.55728 119.6809 7.213922 117.0016 3.808393 2.679283       8.157482 
1 1 1 8   20 5  o 128.0964 4.968484 806.4476       62.17884 0.000000       0.000000 806.4476       62.17884 ?        ?        128.0964 4.968484 ?              ?        
1 1 1 8   20 6  o 105.9225 3.344954 550.3339       34.63697 470.4000       71.37398 574.9578       39.61435 97.44347 7.541749 108.2385 3.744720 -10.79501      8.420267 
1 1 1 8   20 7  o 119.1498 4.997025 697.9912       58.14950 0.000000       0.000000 697.9912       58.14950 ?        ?        119.1498 4.997025 ?              ?        
1 1 1 8   20 8  o 225.5098 5.367348 2497.178       118.4763 0.000000       0.000000 2497.178       118.4763 ?        ?        225.5098 5.367348 ?              ?        
1 1 1 8   20 9  o 72.73415 3.869576 260.0987       27.44999 0.000000       0.000000 260.0987       27.44999 ?        ?        72.73415 3.869576 ?              ?        
1 1 1 8   20 10 o 122.7758 3.818609 739.7411       45.83486 649.3000       82.30608 780.3966       55.18344 114.5752 7.378188 126.0447 4.479908 -11.46948      8.631757 
1 1 1 8   20 11 o 126.3523 3.866325 783.5207       47.76133 646.1000       83.59374 850.1219       58.19541 114.2567 7.516311 131.5519 4.526191 -17.29521      8.773901 
1 1 1 8   20 12 o 128.2976 4.189782 808.2598       52.54525 703.4000       85.56194 871.7529       66.57929 119.2472 7.366338 133.1411 5.118355 -13.89396      8.969977 
1 1 1 8   20 13 o 342.6304 7.697970 5791.230       258.1715 5642.000       437.6846 5870.856       319.7141 335.2860 13.36320 344.1420 9.500217 -8.855988      16.39601 
1 1 1 8   20 14 f 133.5624 5.322416 877.9276       69.44305 808.3000       91.44118 972.8000       106.7385 127.8223 7.339367 140.1709 7.810483 -12.34857      10.71774 
1 1 1 8   20 15 o 160.6642 3.721948 1265.904       58.53231 1156.000       114.5036 1304.782       68.10266 152.8377 7.678485 163.0045 4.272015 -10.16679      8.786880 
1 1 1 8   20 16 o 127.4937 3.860848 798.0715       48.12569 673.9000       83.15876 860.6009       59.01185 116.6408 7.320604 132.3165 4.563198 -15.67574      8.626356 
1 1 1 8   20 17 o 50.28650 3.701673 124.7084       18.09261 55.88000       47.81161 136.2117       19.54613 34.64226 11.78901 52.55368 3.825924 -17.91143      12.39429 
1 1 1 8   20 18 o 223.6665 4.626824 2457.706       101.2955 2511.000       204.0567 2440.279       116.6879 224.6020 9.301908 222.7291 5.352327 1.872879       10.73186 
1 1 1 8   20 19 o 55.31030 3.610663 150.7326       19.44100 147.5000       43.93130 151.5198       21.67933 53.87178 8.621801 55.41032 4.024570 -1.538540      9.514863 
1 1 1 8   20 20 o 132.7119 4.074610 865.7994       52.86732 766.0000       83.49014 932.5998       68.30626 124.3003 6.889040 137.5754 5.081131 -13.27505      8.560185 
1 1 1 8   20 21 o 122.9301 3.345131 742.0738       40.21369 781.8000       80.11372 728.6929       46.49561 125.5974 6.539104 121.7417 3.906871 3.855728       7.617317 
1 1 1 8   20 22 o 66.22419 3.463542 215.8954       22.37336 167.3000       43.01658 233.9160       26.19527 57.50222 7.847203 68.88805 3.900776 -11.38582      8.763256 
1 1 1 8   20 23 o 57.91990 3.674839 165.4823       20.72656 137.4000       40.38166 175.5264       24.15038 51.88066 8.226068 59.59390 4.166394 -7.713238      9.221011 
1 1 1 8   20 24 o 67.66072 3.499058 225.5493       23.09490 200.7000       43.05215 235.5893       27.36562 63.14152 7.088084 69.07548 4.065366 -5.933956      8.171177 
1 1 1 8   20 25 o 104.3180 3.893371 536.3201       39.68519 0.000000       0.000000 536.3201       39.68519 ?        ?        104.3180 3.893371 ?              ?        
1 1 1 8   20 26 o 143.0966 3.536406 1007.344       49.53333 1082.601       68.54519 925.0908       71.65998 147.9691 4.738708 136.5696 5.371111 11.39955       7.162694 
1 1 1 8   20 27 f 79.46297 3.251998 311.0554       25.24077 299.2137       31.56774 332.0453       42.02827 77.77094 4.162024 81.67867 5.285238 -3.907722      6.727272 
1 1 1 8   20 28 o 114.8734 3.656521 650.8820       41.06203 673.0998       49.20250 599.9000       74.53223 116.6422 4.316930 109.1422 7.013750 7.500084       8.235811 
1 1 1 8   20 29 o 121.8310 3.696452 732.7972       44.02975 703.9725       51.36118 812.7000       85.51328 119.1889 4.410038 126.9582 6.907254 -7.769272      8.195035 
1 1 1 8   20 30 o 164.6461 5.617781 1354.388       90.40360 0.000000       0.000000 1354.388       90.40360 ?        ?        164.6461 5.617781 ?              ?        
1 1 1 8   20 31 o 54.58910 10.58743 161.1000       54.53029 0.000000       0.000000 161.1000       54.53029 ?        ?        54.58910 10.58743 ?              ?        
1 1 1 8   20 32 o 57.78962 6.387599 170.1611       35.52981 0.000000       0.000000 170.1611       35.52981 ?        ?        57.78962 6.387599 ?              ?        
1 1 1 8   20 33 o 59.58390 6.378202 181.1112       36.62111 0.000000       0.000000 181.1112       36.62111 ?        ?        59.58390 6.378202 ?              ?        
1 1 1 8   20 34 o 39.26559 8.667851 82.86921       32.42152 0.000000       0.000000 82.86921       32.42152 ?        ?        39.26559 8.667851 ?              ?        
1 1 1 8   20 35 o 50.59775 7.318104 133.5574       35.19255 0.000000       0.000000 133.5574       35.19255 ?        ?        50.59775 7.318104 ?              ?        
1 1 1 8   20 36 o 39.41852 8.794204 84.46944       33.06861 0.000000       0.000000 84.46944       33.06861 ?        ?        39.41852 8.794204 ?              ?        
1 1 1 8   20 37 o 45.02623 8.031046 108.6741       34.09675 0.000000       0.000000 108.6741       34.09675 ?        ?        45.02623 8.031046 ?              ?        
1 1 1 8   20 38 o 66.73145 6.135358 229.5246       39.62706 0.000000       0.000000 229.5246       39.62706 ?        ?        66.73145 6.135358 ?              ?        
1 1 1 8   20 39 o 25.29033 9.352435 30.70961       30.65841 0.000000       0.000000 30.70961       30.65841 ?        ?        25.29033 9.352435 ?              ?        
1 1 1 8   20 40 o 34.25214 9.255507 66.75533       31.76116 0.000000       0.000000 66.75533       31.76116 ?        ?        34.25214 9.255507 ?              ?        
1 1 1 8   20 41 o 68.28481 6.074726 242.7179       40.17952 0.000000       0.000000 242.7179       40.17952 ?        ?        68.28481 6.074726 ?              ?        
1 1 1 8   20 42 o 17.11073 7.963206 -21.64000      32.37430 0.000000       0.000000 -21.64000      32.37430 ?        ?        17.11073 7.963206 ?              ?        
1 1 1 8   20 43 o 42.40184 7.754478 98.95446       30.99863 0.000000       0.000000 98.95446       30.99863 ?        ?        42.40184 7.754478 ?              ?        
1 1 1 8   20 44 o 44.89795 12.39799 130.1000       56.27873 0.000000       0.000000 130.1000       56.27873 ?        ?        44.89795 12.39799 ?              ?        
1 1 1 8   20 45 o 28.23680 9.029740 45.54627       28.19425 0.000000       0.000000 45.54627       28.19425 ?        ?        28.23680 9.029740 ?              ?        
1 1 1 8   20 46 o 38.85867 8.014951 85.41468       29.47308 0.000000       0.000000 85.41468       29.47308 ?        ?        38.85867 8.014951 ?              ?        
1 1 1 8   20 47 o 28.73171 8.855018 48.20101       27.36187 0.000000       0.000000 48.20101       27.36187 ?        ?        28.73171 8.855018 ?              ?        
1 1 1 8   20 48 o 17.87901 8.667323 -55.81000      47.08763 0.000000       0.000000 -55.81000      47.08763 ?        ?        17.87901 8.667323 ?              ?        
1 1 1 8   20 49 o 49.83035 6.878024 135.7539       32.65404 0.000000       0.000000 135.7539       32.65404 ?        ?        49.83035 6.878024 ?              ?        
1 1 1 8   20 50 o 60.49139 5.981525 194.7665       34.95385 0.000000       0.000000 194.7665       34.95385 ?        ?        60.49139 5.981525 ?              ?        
1 1 1 8   20 51 o 35.63685 9.917571 78.76000       35.85825 0.000000       0.000000 78.76000       35.85825 ?        ?        35.63685 9.917571 ?              ?        
1 1 1 8   20 52 o 28.14729 9.838998 47.51000       33.38380 0.000000       0.000000 47.51000       33.38380 ?        ?        28.14729 9.838998 ?              ?        
1 1 1 8   20 53 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   20 54 o 18.93866 8.346385 2.377000       30.12829 0.000000       0.000000 2.377000       30.12829 ?        ?        18.93866 8.346385 ?              ?        
1 1 1 8   20 55 o 20.68316 8.697542 14.46000       29.88465 0.000000       0.000000 14.46000       29.88465 ?        ?        20.68316 8.697542 ?              ?        
1 1 1 8   20 56 o 32.12179 9.586001 66.46000       32.42361 0.000000       0.000000 66.46000       32.42361 ?        ?        32.12179 9.586001 ?              ?        
1 1 1 8   21 0  o 217.5260 4.531436 2321.330       96.48352 2393.000       200.0006 2299.591       110.1483 219.8219 9.316221 216.4232 5.199574 3.398743       10.66900 
1 1 1 8   21 1  o 173.6543 3.910120 1478.502       66.46327 1563.000       141.1746 1454.441       75.33412 177.8400 8.131517 172.1302 4.475040 5.709824       9.281570 
1 1 1 8   21 2  o 190.5974 4.830113 1783.912       90.03894 1796.000       158.7452 1778.179       109.3255 190.5663 8.532001 190.1364 5.881288 0.4299011      10.36265 
1 1 1 8   21 3  o 58.02201 4.868644 166.3770       27.39599 246.8000       57.32689 142.5739       31.18783 70.21232 8.515228 53.52050 6.059805 16.69181       10.45133 
1 1 1 8   21 4  o 98.18444 4.874393 474.2931       46.69920 0.000000       0.000000 474.2931       46.69920 ?        ?        98.18444 4.874393 ?              ?        
1 1 1 8   21 5  o 281.0536 7.887517 3897.854       216.7734 4024.000       315.4611 3785.000       298.3793 284.3278 11.35782 275.8568 11.07292 8.471039       15.86221 
1 1 1 8   21 6  o 167.1149 3.849435 1369.268       62.96777 1401.000       130.1826 1359.577       71.94338 168.3691 7.921437 166.4165 4.420516 1.952576       9.071391 
1 1 1 8   21 7  o 212.0345 4.469958 2205.791       92.77183 2166.000       184.9233 2219.174       107.2439 209.1225 9.055561 212.5902 5.153746 -3.467682      10.41942 
1 1 1 8   21 8  o 67.16692 4.203425 222.1505       27.49680 0.000000       0.000000 222.1505       27.49680 ?        ?        67.16692 4.203425 ?              ?        
1 1 1 8   21 9  o 148.0485 4.915815 1077.270       71.13824 0.000000       0.000000 1077.270       71.13824 ?        ?        148.0485 4.915815 ?              ?        
1 1 1 8   21 10 o 74.67323 4.350849 274.5204       31.66358 0.000000       0.000000 274.5204       31.66358 ?        ?        74.67323 4.350849 ?              ?        
1 1 1 8   21 11 o 128.2149 3.463698 806.4892       43.42970 767.6000       90.40304 818.1570       49.51797 124.5347 7.450347 129.0960 3.923269 -4.561333      8.420197 
1 1 1 8   21 12 o 97.84611 3.856983 470.3036       36.86768 458.8000       70.90618 474.5658       43.16066 96.12415 7.597823 98.22354 4.501137 -2.099396      8.831034 
1 1 1 8   21 13 o 87.97533 5.788858 382.3201       49.57241 394.8000       66.48920 366.7000       74.38541 89.09557 7.699589 85.58271 9.014891 3.512856       11.85546 
1 1 1 8   21 14 o 97.94092 5.140825 472.6985       49.11113 400.0000       67.95161 552.2000       71.05986 89.64384 7.822412 105.6038 6.912455 -15.96001      10.43897 
1 1 1 8   21 15 f 235.9662 4.830072 2735.832       111.5603 2503.000       212.1290 2824.848       131.1638 224.1721 9.690346 239.6138 5.592373 -15.44171      11.18827 
1 1 1 8   21 16 o 120.0025 3.300851 706.6962       38.73556 716.3000       83.12218 704.0321       43.77984 120.2329 7.094505 119.7300 3.740228 0.5028839      8.020057 
1 1 1 8   21 17 o 95.94209 3.193294 451.8816       29.94669 501.7000       66.58840 439.2509       33.52871 100.5761 6.803950 94.54765 3.629671 6.028503       7.711566 
1 1 1 8   21 18 o 205.8206 4.370996 2081.528       88.05933 1888.000       165.7610 2157.620       103.9392 194.6847 8.720632 209.4050 5.070913 -14.72026      10.08779 
1 1 1 8   21 19 o 160.5969 4.416917 1268.835       69.36652 1181.000       113.2144 1321.627       87.77071 154.1707 7.525018 163.6779 5.486146 -9.507233      9.312555 
1 1 1 8   21 20 o 66.24731 4.590678 216.9563       29.58400 169.1000       47.48835 247.3089       37.81946 57.62569 8.688954 70.60325 5.516241 -12.97756      10.29208 
1 1 1 8   21 21 o 125.3189 3.350535 771.5702       41.06267 781.9000       82.30677 768.1472       47.38033 125.4336 6.728334 124.9592 3.878375 0.4744415      7.766098 
1 1 1 8   21 22 o 113.4781 3.954406 634.0648       43.85662 589.5000       70.00616 662.8531       56.26631 108.8195 6.603474 115.8270 4.974462 -7.007484      8.267474 
1 1 1 8   21 23 o 99.08624 3.764939 483.5695       36.44909 0.000000       0.000000 483.5695       36.44909 ?        ?        99.08624 3.764939 ?              ?        
1 1 1 8   21 24 o 159.3317 3.733956 1249.232       58.23412 1255.000       113.0144 1247.147       67.94942 158.3284 7.312116 158.9806 4.370667 -0.6521454     8.518789 
1 1 1 8   21 25 o 175.3811 3.946131 1515.546       67.74239 1520.000       131.3856 1513.932       79.06169 173.8252 7.741405 175.0112 4.619276 -1.185974      9.014824 
1 1 1 8   21 26 o 76.36273 3.622629 287.8118       27.00048 292.7828       29.90680 265.9000       62.78930 76.95350 3.983974 71.78403 9.143402 5.169464       9.973658 
1 1 1 8   21 27 o 22.24114 9.532125 1.128000       37.07733 0.000000       0.000000 1.128000       37.07733 ?        ?        22.24114 9.532125 ?              ?        
1 1 1 8   21 28 o 92.82386 5.188049 429.7185       46.95030 0.000000       0.000000 429.7185       46.95030 ?        ?        92.82386 5.188049 ?              ?        
1 1 1 8   21 29 o 23.84086 9.095492 21.74752       29.48751 0.000000       0.000000 21.74752       29.48751 ?        ?        23.84086 9.095492 ?              ?        
1 1 1 8   21 30 o 52.66079 10.77607 150.8000       53.67286 0.000000       0.000000 150.8000       53.67286 ?        ?        52.66079 10.77607 ?              ?        
1 1 1 8   21 31 o 103.2341 5.120537 532.9669       51.58070 0.000000       0.000000 532.9669       51.58070 ?        ?        103.2341 5.120537 ?              ?        
1 1 1 8   21 32 o 59.59877 6.298232 181.0812       36.18681 0.000000       0.000000 181.0812       36.18681 ?        ?        59.59877 6.298232 ?              ?        
1 1 1 8   21 33 o 49.39679 7.244856 126.8962       33.98891 0.000000       0.000000 126.8962       33.98891 ?        ?        49.39679 7.244856 ?              ?        
1 1 1 8   21 34 o 54.87141 6.852631 155.6296       36.00515 0.000000       0.000000 155.6296       36.00515 ?        ?        54.87141 6.852631 ?              ?        
1 1 1 8   21 35 o 46.72279 7.553165 115.0998       33.36529 0.000000       0.000000 115.0998       33.36529 ?        ?        46.72279 7.553165 ?              ?        
1 1 1 8   21 36 o 25.84299 9.395384 31.77430       30.73457 0.000000       0.000000 31.77430       30.73457 ?        ?        25.84299 9.395384 ?              ?        
1 1 1 8   21 37 o 63.17944 6.234412 206.2583       38.05279 0.000000       0.000000 206.2583       38.05279 ?        ?        63.17944 6.234412 ?              ?        
1 1 1 8   21 38 o 76.59478 5.752738 301.4837       42.81490 0.000000       0.000000 301.4837       42.81490 ?        ?        76.59478 5.752738 ?              ?        
1 1 1 8   21 39 o 58.95089 6.390958 181.7541       36.28838 0.000000       0.000000 181.7541       36.28838 ?        ?        58.95089 6.390958 ?              ?        
1 1 1 8   21 40 o 31.23225 9.431458 55.67118       31.24898 0.000000       0.000000 55.67118       31.24898 ?        ?        31.23225 9.431458 ?              ?        
1 1 1 8   21 41 o 28.02040 10.10494 42.16000       35.45938 0.000000       0.000000 42.16000       35.45938 ?        ?        28.02040 10.10494 ?              ?        
1 1 1 8   21 42 o 40.01265 8.408419 89.98454       31.88392 0.000000       0.000000 89.98454       31.88392 ?        ?        40.01265 8.408419 ?              ?        
1 1 1 8   21 43 o 38.93760 12.66206 99.12000       55.28826 0.000000       0.000000 99.12000       55.28826 ?        ?        38.93760 12.66206 ?              ?        
1 1 1 8   21 44 o 26.79185 8.960140 40.19010       27.61928 0.000000       0.000000 40.19010       27.61928 ?        ?        26.79185 8.960140 ?              ?        
1 1 1 8   21 45 o 19.32401 8.217871 7.115330       27.17853 0.000000       0.000000 7.115330       27.17853 ?        ?        19.32401 8.217871 ?              ?        
1 1 1 8   21 46 o 36.74763 8.355346 77.95226       29.37155 0.000000       0.000000 77.95226       29.37155 ?        ?        36.74763 8.355346 ?              ?        
1 1 1 8   21 47 o 27.81669 9.135572 45.29833       28.74678 0.000000       0.000000 45.29833       28.74678 ?        ?        27.81669 9.135572 ?              ?        
1 1 1 8   21 48 f 23.62695 8.932856 28.19934       28.28618 0.000000       0.000000 28.19934       28.28618 ?        ?        23.62695 8.932856 ?              ?        
1 1 1 8   21 49 o 27.11659 11.31668 34.62000       50.01190 0.000000       0.000000 34.62000       50.01190 ?        ?        27.11659 11.31668 ?              ?        
1 1 1 8   21 50 o 41.34611 9.401031 103.0000       37.18298 0.000000       0.000000 103.0000       37.18298 ?        ?        41.34611 9.401031 ?              ?        
1 1 1 8   21 51 o 43.95389 9.271716 115.7000       38.63303 0.000000       0.000000 115.7000       38.63303 ?        ?        43.95389 9.271716 ?              ?        
1 1 1 8   21 52 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   21 53 o 25.51328 9.529296 36.77000       31.97857 0.000000       0.000000 36.77000       31.97857 ?        ?        25.51328 9.529296 ?              ?        
1 1 1 8   21 54 o 32.90048 9.670319 68.74000       33.20033 0.000000       0.000000 68.74000       33.20033 ?        ?        32.90048 9.670319 ?              ?        
1 1 1 8   21 55 o 21.94254 8.950994 21.43000       30.34664 0.000000       0.000000 21.43000       30.34664 ?        ?        21.94254 8.950994 ?              ?        
1 1 1 8   22 0  o 367.8726 7.081995 6666.150       255.0112 7643.000       561.9547 6412.822       286.1735 389.4760 14.76732 360.4535 8.110991 29.02249       16.84820 
1 1 1 8   22 1  o 152.3363 4.363770 1139.475       65.00153 1056.000       111.2242 1182.775       80.10522 146.1124 7.805213 155.0889 5.284558 -8.976563      9.425917 
1 1 1 8   22 2  o 337.3638 6.534237 5601.178       215.7742 5950.000       451.2496 5497.780       245.6818 344.4249 13.41056 333.9374 7.516259 10.48752       15.37326 
1 1 1 8   22 3  o 116.9523 3.432426 671.0209       39.25057 675.8000       85.43611 669.7424       44.19004 116.8420 7.510036 116.8027 3.870485 0.3930664E-01  8.448745 
1 1 1 8   22 4  o 168.9610 3.896742 1399.987       64.44577 1404.000       133.0747 1398.757       73.65974 168.4531 8.094369 168.7755 4.462682 -0.3223267     9.243070 
1 1 1 8   22 5  o 77.18835 4.453318 293.3397       33.50380 448.7000       68.88007 245.1910       38.34563 95.10841 7.458549 70.41089 5.610138 24.69752       9.332931 
1 1 1 8   22 6  o 180.3898 4.604097 1598.261       81.22835 1818.000       155.6654 1516.041       95.22003 191.6469 8.318010 175.5432 5.548607 16.10379       9.998816 
1 1 1 8   22 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 8  f 158.6013 4.276237 1235.264       66.32516 1167.000       117.3626 1267.295       80.39397 153.5373 7.835164 160.5287 5.122959 -6.991425      9.361330 
1 1 1 8   22 9  o 47.45196 7.744984 113.9875       34.73363 0.000000       0.000000 113.9875       34.73363 ?        ?        47.45196 7.744984 ?              ?        
1 1 1 8   22 10 o 72.78310 3.962834 260.6454       28.12557 0.000000       0.000000 260.6454       28.12557 ?        ?        72.78310 3.962834 ?              ?        
1 1 1 8   22 11 o 61.88388 5.102979 189.4570       30.63615 0.000000       0.000000 189.4570       30.63615 ?        ?        61.88388 5.102979 ?              ?        
1 1 1 8   22 12 o 112.3826 3.931375 620.4709       43.17979 536.0000       78.34890 657.3201       51.74797 103.8485 7.763918 115.5987 4.582428 -11.75013      9.015380 
1 1 1 8   22 13 o 105.0789 4.060490 542.7651       41.68524 540.2000       75.61993 543.8848       49.96180 104.2913 7.456880 105.0869 4.870417 -0.7955627     8.906515 
1 1 1 8   22 14 o 207.8807 5.155138 2125.417       104.8964 1811.000       165.8540 2335.035       135.4217 190.7633 8.906878 217.5193 6.367249 -26.75601      10.94871 
1 1 1 8   22 15 o 123.6999 4.084853 752.1645       49.39190 765.9000       86.11125 745.4299       60.29669 124.2811 7.108266 123.0076 5.018434 1.273499       8.701272 
1 1 1 8   22 16 o 32.99057 4.878448 54.67414       15.27913 -51.94000      45.98467 67.90510       16.19949 19.42318 9.180699 36.88705 4.585337 -17.46388      10.26209 
1 1 1 8   22 17 o 114.2242 3.800124 641.3718       42.42845 591.8000       75.21773 664.5052       51.38337 109.1139 7.080857 116.1619 4.527778 -7.048027      8.404719 
1 1 1 8   22 18 o 90.63438 3.155174 403.5329       27.94857 430.9000       60.92884 396.2399       31.45283 93.06326 6.734201 89.76165 3.587056 3.301605       7.629969 
1 1 1 8   22 19 o 71.43034 3.259859 250.9650       22.73220 245.0000       50.23452 252.5011       25.49158 69.83749 7.464251 71.60405 3.649113 -1.766556      8.308494 
1 1 1 8   22 20 f 117.9516 3.679576 684.3679       42.43032 776.1000       80.40260 648.9606       49.95232 124.9338 6.598217 114.7200 4.456947 10.21380       7.962464 
1 1 1 8   22 21 o 72.22160 3.336502 256.7806       23.52283 150.7000       47.31269 291.6121       27.11101 54.00744 9.284491 76.93710 3.610077 -22.92966      9.961647 
1 1 1 8   22 22 o 176.1788 3.947593 1528.030       68.07572 1541.000       134.7806 1523.588       78.87630 175.2386 7.877768 175.6832 4.590737 -0.4445343     9.117790 
1 1 1 8   22 23 o 134.1280 4.121618 887.5101       54.04778 847.1000       86.14492 913.7435       69.40833 130.1546 6.785257 135.7704 5.232557 -5.615860      8.568510 
1 1 1 8   22 24 o 79.90177 3.308445 314.5602       25.81940 355.8000       49.55671 299.1948       30.24934 84.35260 6.042041 77.80400 3.985265 6.548599       7.237996 
1 1 1 8   22 25 o 42.13483 5.448924 89.57037       21.94715 0.000000       0.000000 89.57037       21.94715 ?        ?        42.13483 5.448924 ?              ?        
1 1 1 8   22 26 o 46.28390 9.671274 113.9000       42.40059 0.000000       0.000000 113.9000       42.40059 ?        ?        46.28390 9.671274 ?              ?        
1 1 1 8   22 27 o 62.21989 6.086596 195.5011       36.59531 0.000000       0.000000 195.5011       36.59531 ?        ?        62.21989 6.086596 ?              ?        
1 1 1 8   22 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 29 o 81.32169 8.195130 341.9000       64.34439 0.000000       0.000000 341.9000       64.34439 ?        ?        81.32169 8.195130 ?              ?        
1 1 1 8   22 30 o 65.61089 5.946647 217.9334       37.77609 0.000000       0.000000 217.9334       37.77609 ?        ?        65.61089 5.946647 ?              ?        
1 1 1 8   22 31 o 97.39974 5.217397 475.7095       49.55987 0.000000       0.000000 475.7095       49.55987 ?        ?        97.39974 5.217397 ?              ?        
1 1 1 8   22 32 o 138.2511 5.358920 959.6423       72.38172 0.000000       0.000000 959.6423       72.38172 ?        ?        138.2511 5.358920 ?              ?        
1 1 1 8   22 33 o 39.73460 8.752607 85.44930       33.12061 0.000000       0.000000 85.44930       33.12061 ?        ?        39.73460 8.752607 ?              ?        
1 1 1 8   22 34 o 53.97962 6.853311 151.2182       35.39555 0.000000       0.000000 151.2182       35.39555 ?        ?        53.97962 6.853311 ?              ?        
1 1 1 8   22 35 o 48.13497 7.487539 122.6523       34.13162 0.000000       0.000000 122.6523       34.13162 ?        ?        48.13497 7.487539 ?              ?        
1 1 1 8   22 36 f 24.66270 9.280448 27.35950       30.44898 0.000000       0.000000 27.35950       30.44898 ?        ?        24.66270 9.280448 ?              ?        
1 1 1 8   22 37 f 75.71521 5.638688 294.1464       41.48949 0.000000       0.000000 294.1464       41.48949 ?        ?        75.71521 5.638688 ?              ?        
1 1 1 8   22 38 o 44.30046 7.703243 106.4826       32.19112 0.000000       0.000000 106.4826       32.19112 ?        ?        44.30046 7.703243 ?              ?        
1 1 1 8   22 39 f 86.83732 6.852925 397.6000       57.77720 0.000000       0.000000 397.6000       57.77720 ?        ?        86.83732 6.852925 ?              ?        
1 1 1 8   22 40 o 26.63099 9.828873 36.38000       33.83264 0.000000       0.000000 36.38000       33.83264 ?        ?        26.63099 9.828873 ?              ?        
1 1 1 8   22 41 f 38.56287 8.734262 84.54433       32.20093 0.000000       0.000000 84.54433       32.20093 ?        ?        38.56287 8.734262 ?              ?        
1 1 1 8   22 42 f 29.83042 12.04116 45.09000       54.25021 0.000000       0.000000 45.09000       54.25021 ?        ?        29.83042 12.04116 ?              ?        
1 1 1 8   22 43 o 21.56823 8.627436 18.03610       27.58292 0.000000       0.000000 18.03610       27.58292 ?        ?        21.56823 8.627436 ?              ?        
1 1 1 8   22 44 o 23.58499 8.875973 27.45994       27.85450 0.000000       0.000000 27.45994       27.85450 ?        ?        23.58499 8.875973 ?              ?        
1 1 1 8   22 45 o 31.26543 9.108957 58.09660       29.57080 0.000000       0.000000 58.09660       29.57080 ?        ?        31.26543 9.108957 ?              ?        
1 1 1 8   22 46 o 62.54331 5.837388 206.9709       35.32323 0.000000       0.000000 206.9709       35.32323 ?        ?        62.54331 5.837388 ?              ?        
1 1 1 8   22 47 o 29.27799 9.112673 50.84243       28.89558 0.000000       0.000000 50.84243       28.89558 ?        ?        29.27799 9.112673 ?              ?        
1 1 1 8   22 48 o 20.77410 8.507850 15.56097       27.55001 0.000000       0.000000 15.56097       27.55001 ?        ?        20.77410 8.507850 ?              ?        
1 1 1 8   22 49 o 20.81249 8.976800 8.900000       33.28247 0.000000       0.000000 8.900000       33.28247 ?        ?        20.81249 8.976800 ?              ?        
1 1 1 8   22 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   22 52 o 24.97092 9.484786 34.07000       31.97754 0.000000       0.000000 34.07000       31.97754 ?        ?        24.97092 9.484786 ?              ?        
1 1 1 8   22 53 o 18.30372 8.106814 0.8648000      28.76462 0.000000       0.000000 0.8648000      28.76462 ?        ?        18.30372 8.106814 ?              ?        
1 1 1 8   22 54 o 29.90533 9.667731 57.33000       32.25853 0.000000       0.000000 57.33000       32.25853 ?        ?        29.90533 9.667731 ?              ?        
1 1 1 8   23 0  o 175.7685 3.931792 1515.506       67.64532 1641.000       146.9606 1481.770       76.19727 182.0042 8.270844 173.6835 4.485782 8.320618       9.408991 
1 1 1 8   23 1  o 269.7079 5.372788 3575.454       141.8403 3781.000       297.3241 3514.893       161.3889 275.2378 11.05862 267.2313 6.169928 8.006561       12.66338 
1 1 1 8   23 2  o 209.8873 5.134611 2164.521       105.4873 2137.000       185.6868 2177.635       128.1796 207.4632 9.166582 210.2351 6.235733 -2.771957      11.08650 
1 1 1 8   23 3  o 67.79556 4.363355 226.5176       28.80155 269.9000       64.96583 215.9052       32.13181 73.22869 9.270988 66.10760 5.002801 7.121094       10.53467 
1 1 1 8   23 4  o 176.9842 4.623921 1539.037       80.03483 1459.000       139.4491 1578.352       97.73453 171.5602 8.328994 179.0725 5.582694 -7.512283      10.02689 
1 1 1 8   23 5  o 177.4056 4.588916 1546.325       79.61938 1336.000       133.5864 1662.203       99.15563 164.1409 8.341914 183.7798 5.518303 -19.63896      10.00196 
1 1 1 8   23 6  o 269.8195 6.216465 3584.515       164.1810 3432.000       279.1103 3665.209       203.0201 262.1808 10.89976 272.3256 7.623807 -10.14478      13.30140 
1 1 1 8   23 7  f 98.88924 3.847526 480.4533       37.17126 340.2000       69.20853 537.3141       44.06661 82.43484 8.708629 104.5358 4.315920 -22.10098      9.719433 
1 1 1 8   23 8  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   23 9  f 196.5104 4.233731 1895.802       81.43572 1818.000       162.7663 1921.781       94.05415 191.2896 8.715844 197.7552 4.858965 -6.465622      9.978752 
1 1 1 8   23 10 o 102.7278 4.474902 519.3105       44.88847 0.000000       0.000000 519.3105       44.88847 ?        ?        102.7278 4.474902 ?              ?        
1 1 1 8   23 11 o 181.6190 5.633650 1625.484       100.0304 0.000000       0.000000 1625.484       100.0304 ?        ?        181.6190 5.633650 ?              ?        
1 1 1 8   23 12 o 187.9641 5.759363 1742.009       105.8383 0.000000       0.000000 1742.009       105.8383 ?        ?        187.9641 5.759363 ?              ?        
1 1 1 8   23 13 f 122.1005 3.357038 731.9045       40.08367 658.9000       83.71262 753.6216       45.65804 115.1301 7.468714 123.8504 3.770680 -8.720276      8.366583 
1 1 1 8   23 14 o 106.8057 4.019414 561.0841       41.94572 535.7000       71.74926 574.2645       51.70118 103.8070 7.104122 107.9243 4.906963 -4.117302      8.634051 
1 1 1 8   23 15 o 70.28293 4.471711 243.8808       30.60354 249.3000       54.27601 241.3549       37.05581 70.39774 8.019506 69.76553 5.470078 0.6322021      9.707432 
1 1 1 8   23 16 o 208.0531 4.395722 2129.147       89.51807 2037.000       174.9099 2161.850       104.1989 201.7682 8.878100 209.4683 5.082048 -7.700058      10.22975 
1 1 1 8   23 17 o 72.19592 3.247080 256.3642       22.88754 242.4000       52.30906 259.6706       25.45331 69.36114 7.842056 72.62096 3.591913 -3.259827      8.625525 
1 1 1 8   23 18 o 119.0730 3.325595 696.8033       38.72249 671.3000       78.22919 705.0798       44.56495 116.0705 6.916955 119.7015 3.808384 -3.630951      7.896078 
1 1 1 8   23 19 o 128.2140 3.373675 808.1979       42.30264 786.0000       84.55115 815.6098       48.85731 125.5355 6.907547 128.7068 3.882566 -3.171257      7.923921 
1 1 1 8   23 20 o 58.66584 3.530960 169.8284       20.18225 200.4000       46.13535 162.5934       22.44369 62.87386 7.654005 57.32673 4.025317 5.547131       8.647946 
1 1 1 8   23 21 o 54.83891 3.613285 148.5979       19.28726 241.7000       45.06726 127.7223       21.34031 69.32980 6.725409 50.70911 4.341129 18.62070       8.004782 
1 1 1 8   23 22 o 38.46432 4.514999 74.04358       16.67569 161.9000       37.86318 52.90111       18.57412 56.49784 6.996015 32.09463 6.136051 24.40321       9.305662 
1 1 1 8   23 23 o 79.40485 3.215166 310.6362       24.93777 399.4000       50.72769 282.3481       28.63709 89.41983 5.827435 75.57977 3.883973 13.84007       7.003159 
1 1 1 8   23 24 o 35.58009 6.078532 64.84293       20.40987 0.000000       0.000000 64.84293       20.40987 ?        ?        35.58009 6.078532 ?              ?        
1 1 1 8   23 25 o 72.10186 7.597896 265.7000       52.81720 0.000000       0.000000 265.7000       52.81720 ?        ?        72.10186 7.597896 ?              ?        
1 1 1 8   23 26 o 90.35381 5.191164 407.6922       45.71783 0.000000       0.000000 407.6922       45.71783 ?        ?        90.35381 5.191164 ?              ?        
1 1 1 8   23 27 o 45.11186 11.91072 113.1000       53.35996 0.000000       0.000000 113.1000       53.35996 ?        ?        45.11186 11.91072 ?              ?        
1 1 1 8   23 28 o 60.82334 10.06091 198.4000       57.80594 0.000000       0.000000 198.4000       57.80594 ?        ?        60.82334 10.06091 ?              ?        
1 1 1 8   23 29 o 83.52927 5.341568 350.3743       43.44420 0.000000       0.000000 350.3743       43.44420 ?        ?        83.52927 5.341568 ?              ?        
1 1 1 8   23 30 o 60.00555 6.383830 183.9236       36.92061 0.000000       0.000000 183.9236       36.92061 ?        ?        60.00555 6.383830 ?              ?        
1 1 1 8   23 31 o 115.2880 5.181291 667.0121       58.31994 0.000000       0.000000 667.0121       58.31994 ?        ?        115.2880 5.181291 ?              ?        
1 1 1 8   23 32 o 56.08645 6.812469 162.6370       36.63375 0.000000       0.000000 162.6370       36.63375 ?        ?        56.08645 6.812469 ?              ?        
1 1 1 8   23 33 o 91.24438 5.422292 420.9271       48.20947 0.000000       0.000000 420.9271       48.20947 ?        ?        91.24438 5.422292 ?              ?        
1 1 1 8   23 34 o 56.85658 6.544266 167.6472       35.75715 0.000000       0.000000 167.6472       35.75715 ?        ?        56.85658 6.544266 ?              ?        
1 1 1 8   23 35 o 40.66284 8.603345 91.01556       33.17279 0.000000       0.000000 91.01556       33.17279 ?        ?        40.66284 8.603345 ?              ?        
1 1 1 8   23 36 o 68.43425 5.954885 241.9900       39.49221 0.000000       0.000000 241.9900       39.49221 ?        ?        68.43425 5.954885 ?              ?        
1 1 1 8   23 37 o 29.55377 9.448667 48.79408       30.87240 0.000000       0.000000 48.79408       30.87240 ?        ?        29.55377 9.448667 ?              ?        
1 1 1 8   23 38 o 34.82895 10.21156 71.22000       37.06029 0.000000       0.000000 71.22000       37.06029 ?        ?        34.82895 10.21156 ?              ?        
1 1 1 8   23 39 o 36.45978 8.699115 75.46126       30.61062 0.000000       0.000000 75.46126       30.61062 ?        ?        36.45978 8.699115 ?              ?        
1 1 1 8   23 40 o 23.11650 10.52252 -10.24000      52.29102 0.000000       0.000000 -10.24000      52.29102 ?        ?        23.11650 10.52252 ?              ?        
1 1 1 8   23 41 o 22.22223 8.840137 19.75383       28.80127 0.000000       0.000000 19.75383       28.80127 ?        ?        22.22223 8.840137 ?              ?        
1 1 1 8   23 42 o 22.02953 8.647544 20.58708       27.22722 0.000000       0.000000 20.58708       27.22722 ?        ?        22.02953 8.647544 ?              ?        
1 1 1 8   23 43 f 41.06059 7.803066 94.37773       30.21532 0.000000       0.000000 94.37773       30.21532 ?        ?        41.06059 7.803066 ?              ?        
1 1 1 8   23 44 o 62.64459 5.865175 207.3454       35.54606 0.000000       0.000000 207.3454       35.54606 ?        ?        62.64459 5.865175 ?              ?        
1 1 1 8   23 45 o 19.46306 8.281135 8.111898       27.62245 0.000000       0.000000 8.111898       27.62245 ?        ?        19.46306 8.281135 ?              ?        
1 1 1 8   23 46 o 41.06059 8.024457 96.18999       31.09459 0.000000       0.000000 96.18999       31.09459 ?        ?        41.06059 8.024457 ?              ?        
1 1 1 8   23 47 o 35.64704 8.510400 74.66557       29.28282 0.000000       0.000000 74.66557       29.28282 ?        ?        35.64704 8.510400 ?              ?        
1 1 1 8   23 48 o 22.68041 8.773533 24.88733       27.70065 0.000000       0.000000 24.88733       27.70065 ?        ?        22.68041 8.773533 ?              ?        
1 1 1 8   23 49 o 24.00762 9.630107 27.01000       34.46620 0.000000       0.000000 27.01000       34.46620 ?        ?        24.00762 9.630107 ?              ?        
1 1 1 8   23 50 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   23 52 o 19.17168 8.422029 3.811000       30.45028 0.000000       0.000000 3.811000       30.45028 ?        ?        19.17168 8.422029 ?              ?        
1 1 1 8   23 53 o 24.09484 9.213273 32.15000       30.30074 0.000000       0.000000 32.15000       30.30074 ?        ?        24.09484 9.213273 ?              ?        
1 1 1 8   23 54 o 30.77337 9.547208 61.24000       31.74549 0.000000       0.000000 61.24000       31.74549 ?        ?        30.77337 9.547208 ?              ?        
1 1 1 8   24 0  o 164.4352 3.773281 1326.561       60.73235 1557.000       137.2504 1270.456       67.72329 177.2362 7.931524 160.8039 4.306519 16.43231       9.025252 
1 1 1 8   24 1  o 103.4437 3.857342 525.7703       38.98855 559.4000       76.91724 514.1418       45.22977 106.1506 7.450094 102.2148 4.531952 3.935715       8.720235 
1 1 1 8   24 2  o 138.5556 4.110291 943.1428       55.68298 952.8000       101.5870 938.9952       66.57516 138.6517 7.513330 138.1350 4.931734 0.5166321      8.987331 
1 1 1 8   24 3  o 140.0595 3.519040 962.7654       48.20575 1013.000       104.3981 949.1523       54.34632 142.9743 7.485900 139.0083 3.998292 3.965912       8.486757 
1 1 1 8   24 4  o 111.6008 3.309699 611.2819       36.11452 659.5000       81.42400 599.4731       40.29486 115.3202 7.250105 110.4740 3.731704 4.846169       8.154118 
1 1 1 8   24 5  o 153.2879 4.185025 1154.504       62.73438 1210.000       116.6796 1131.937       74.40395 156.2243 7.653566 151.6508 5.019306 4.573486       9.152623 
1 1 1 8   24 6  o 82.73168 4.823882 337.5561       38.89437 268.3000       62.21012 382.0000       49.83538 72.99317 8.890242 87.88130 5.826317 -14.88813      10.62932 
1 1 1 8   24 7  o 174.1846 3.922872 1489.264       66.88367 1528.000       138.7049 1477.529       76.34595 175.4178 8.100015 173.3585 4.503006 2.059387       9.267541 
1 1 1 8   24 8  o 32.31041 6.295739 53.23149       19.19515 39.06000       49.09664 55.78852       20.85512 31.64343 11.80976 33.03580 6.679322 -1.392378      13.56775 
1 1 1 8   24 9  f 112.5892 3.830888 622.9777       42.15695 716.2000       81.56272 588.9949       49.24494 120.1785 6.963422 109.3687 4.610390 10.80981       8.351344 
1 1 1 8   24 10 o 125.2115 4.631811 771.8710       56.66986 942.7000       94.29951 675.3000       70.90096 137.8892 7.009713 116.8194 6.223015 21.06978       9.373473 
1 1 1 8   24 11 o 53.11082 4.364650 139.5678       22.49018 0.000000       0.000000 139.5678       22.49018 ?        ?        53.11082 4.364650 ?              ?        
1 1 1 8   24 12 o 57.21050 4.053876 161.6148       22.55436 0.000000       0.000000 161.6148       22.55436 ?        ?        57.21050 4.053876 ?              ?        
1 1 1 8   24 13 o 116.2626 3.283602 663.9005       37.33032 747.7000       82.74897 642.4882       41.82859 122.6606 6.920161 114.3096 3.743434 8.350967       7.867778 
1 1 1 8   24 14 o 66.55782 3.430540 218.0805       22.27409 214.9000       52.00855 218.7949       24.64910 65.14403 8.347922 66.62360 3.795484 -1.479568      9.170251 
1 1 1 8   24 15 o 19.03319 7.796607 6.521516       23.14274 -39.74000      41.70904 27.09947       27.81771 19.10605 8.940124 25.05614 8.960611 -5.950089      12.65774 
1 1 1 8   24 16 o 33.67398 7.498246 58.64419       24.08017 29.43000       42.69907 72.26859       29.15951 28.52135 10.92920 37.32944 8.204583 -8.808090      13.66611 
1 1 1 8   24 17 o 107.0976 3.218391 563.8753       33.70015 602.9000       72.48045 553.1119       38.06490 109.9204 6.769369 105.9975 3.674344 3.922890       7.702282 
1 1 1 8   24 18 o 21.98775 5.938047 24.78105       13.07774 30.48000       41.11107 24.13943       13.79429 28.30377 10.75350 21.77272 6.184064 6.531054       12.40486 
1 1 1 8   24 19 o 71.30790 3.239608 250.4418       22.55280 333.5000       53.00084 232.0778       24.92159 81.53903 6.699698 68.56644 3.727297 12.97259       7.666727 
1 1 1 8   24 20 o 131.7527 3.425050 854.5935       44.13308 1017.000       94.66846 809.4971       49.88554 142.5293 6.805363 128.0934 3.983548 14.43597       7.885532 
1 1 1 8   24 21 o 76.32005 3.230419 287.0205       24.07800 257.8000       47.61017 297.0625       27.91036 71.44998 6.893029 77.56725 3.686596 -6.117271      7.816958 
1 1 1 8   24 22 o 94.34420 3.189576 438.4363       29.41233 439.1000       57.00565 438.1955       34.33549 93.56672 6.260316 94.20705 3.730898 -0.6403351     7.287740 
1 1 1 8   24 23 o 81.48370 3.447885 327.7495       27.43766 406.1000       51.03928 295.9037       32.53941 90.03911 5.822398 77.22498 4.321971 12.81413       7.251190 
1 1 1 8   24 24 o 19.84480 7.393092 15.69054       19.22380 0.000000       0.000000 15.69054       19.22380 ?        ?        19.84480 7.393092 ?              ?        
1 1 1 8   24 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   24 26 o 132.1209 7.870822 894.5000       101.3270 0.000000       0.000000 894.5000       101.3270 ?        ?        132.1209 7.870822 ?              ?        
1 1 1 8   24 27 o 95.02785 5.323744 452.8018       49.32130 0.000000       0.000000 452.8018       49.32130 ?        ?        95.02785 5.323744 ?              ?        
1 1 1 8   24 28 o 85.79393 5.382485 369.9966       44.97298 0.000000       0.000000 369.9966       44.97298 ?        ?        85.79393 5.382485 ?              ?        
1 1 1 8   24 29 o 65.33878 6.016460 216.9307       38.04675 0.000000       0.000000 216.9307       38.04675 ?        ?        65.33878 6.016460 ?              ?        
1 1 1 8   24 30 o 26.73896 9.593850 34.03821       31.91628 0.000000       0.000000 34.03821       31.91628 ?        ?        26.73896 9.593850 ?              ?        
1 1 1 8   24 31 o 27.74336 9.604551 38.70540       31.77258 0.000000       0.000000 38.70540       31.77258 ?        ?        27.74336 9.604551 ?              ?        
1 1 1 8   24 32 o 37.01706 9.047814 75.41447       32.50224 0.000000       0.000000 75.41447       32.50224 ?        ?        37.01706 9.047814 ?              ?        
1 1 1 8   24 33 o 19.77782 8.534043 1.611505       30.10449 0.000000       0.000000 1.611505       30.10449 ?        ?        19.77782 8.534043 ?              ?        
1 1 1 8   24 34 o 50.95321 7.335013 137.9006       35.53032 0.000000       0.000000 137.9006       35.53032 ?        ?        50.95321 7.335013 ?              ?        
1 1 1 8   24 35 o 54.18971 6.976503 155.5707       36.14741 0.000000       0.000000 155.5707       36.14741 ?        ?        54.18971 6.976503 ?              ?        
1 1 1 8   24 36 o 46.49699 7.544246 116.8789       33.16005 0.000000       0.000000 116.8789       33.16005 ?        ?        46.49699 7.544246 ?              ?        
1 1 1 8   24 37 o 33.04694 10.20358 63.83000       36.31078 0.000000       0.000000 63.83000       36.31078 ?        ?        33.04694 10.20358 ?              ?        
1 1 1 8   24 38 o 23.96756 9.037826 27.19007       28.91141 0.000000       0.000000 27.19007       28.91141 ?        ?        23.96756 9.037826 ?              ?        
1 1 1 8   24 39 o 21.28302 10.02503 -35.20000      53.97054 0.000000       0.000000 -35.20000      53.97054 ?        ?        21.28302 10.02503 ?              ?        
1 1 1 8   24 40 o 24.68723 9.033563 31.27673       28.47977 0.000000       0.000000 31.27673       28.47977 ?        ?        24.68723 9.033563 ?              ?        
1 1 1 8   24 41 o 46.34179 7.182945 117.1979       31.52855 0.000000       0.000000 117.1979       31.52855 ?        ?        46.34179 7.182945 ?              ?        
1 1 1 8   24 42 o 27.66701 9.003717 43.86513       27.95276 0.000000       0.000000 43.86513       27.95276 ?        ?        27.66701 9.003717 ?              ?        
1 1 1 8   24 43 o 42.84974 7.653170 102.9015       30.92134 0.000000       0.000000 102.9015       30.92134 ?        ?        42.84974 7.653170 ?              ?        
1 1 1 8   24 44 o 43.20448 7.668230 105.0436       31.24107 0.000000       0.000000 105.0436       31.24107 ?        ?        43.20448 7.668230 ?              ?        
1 1 1 8   24 45 o 21.53858 8.656781 18.95794       27.90929 0.000000       0.000000 18.95794       27.90929 ?        ?        21.53858 8.656781 ?              ?        
1 1 1 8   24 46 o 48.83436 6.865527 130.9296       31.91258 0.000000       0.000000 130.9296       31.91258 ?        ?        48.83436 6.865527 ?              ?        
1 1 1 8   24 47 o 17.79255 8.135365 -10.21000      31.70903 0.000000       0.000000 -10.21000      31.70903 ?        ?        17.79255 8.135365 ?              ?        
1 1 1 8   24 48 o 24.04315 9.057890 30.48494       29.02481 0.000000       0.000000 30.48494       29.02481 ?        ?        24.04315 9.057890 ?              ?        
1 1 1 8   24 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   24 50 o 18.99569 8.438467 0.2924000      31.39824 0.000000       0.000000 0.2924000      31.39824 ?        ?        18.99569 8.438467 ?              ?        
1 1 1 8   24 51 o 38.34360 9.521127 91.57000       35.57042 0.000000       0.000000 91.57000       35.57042 ?        ?        38.34360 9.521127 ?              ?        
1 1 1 8   24 52 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   24 53 o 17.49909 7.891396 -3.390000      28.59371 0.000000       0.000000 -3.390000      28.59371 ?        ?        17.49909 7.891396 ?              ?        
1 1 1 8   25 0  o 167.6559 3.822794 1379.800       62.73444 1498.000       135.6203 1347.623       70.75999 173.6363 8.001045 165.5565 4.370340 8.079803       9.116830 
1 1 1 8   25 1  o 165.2740 3.809991 1340.860       61.63602 1257.000       123.7059 1368.553       71.08823 159.0309 7.972419 166.8393 4.356774 -7.808426      9.085204 
1 1 1 8   25 2  f 131.1813 3.450577 844.8730       44.26826 934.7000       97.94036 821.8099       49.62687 137.2467 7.316879 129.3169 3.925169 7.929794       8.303232 
1 1 1 8   25 3  o 106.5773 3.303276 557.7194       34.41843 571.7000       76.87234 554.2141       38.49220 107.2247 7.369156 106.1966 3.708711 1.028122       8.249787 
1 1 1 8   25 4  o 147.8413 5.135695 1077.036       74.20636 961.4000       104.4245 1195.000       105.4706 139.0704 7.701238 155.3050 6.955741 -16.23462      10.37745 
1 1 1 8   25 5  o 176.6890 5.624815 1540.026       97.15614 1399.000       134.6901 1693.000       140.2794 167.6367 8.233622 184.6113 7.780437 -16.97458      11.32818 
1 1 1 8   25 6  o 89.41027 3.333365 392.7677       29.12162 443.8000       67.04852 380.9022       32.33038 94.38580 7.314363 88.00039 3.762039 6.385414       8.225135 
1 1 1 8   25 7  o 54.38850 4.874532 146.7204       25.67563 200.4000       54.03557 131.0663       29.18022 62.78850 9.053351 51.20722 5.931274 11.58128       10.82327 
1 1 1 8   25 8  o 72.83798 5.970294 263.6028       42.19249 327.0000       61.93417 208.7000       57.63581 80.75474 7.937782 63.96017 9.493768 16.79457       12.37498 
1 1 1 8   25 9  o 89.23975 4.128705 392.2743       35.96664 499.9000       70.33401 354.1647       41.85276 100.1525 7.223120 84.64140 5.074979 15.51106       8.827733 
1 1 1 8   25 10 o 25.42572 6.943304 33.07597       17.76340 4.001000       50.04128 37.26783       19.00080 26.36526 11.17914 26.93219 7.105925 -0.5669231     13.24641 
1 1 1 8   25 11 o 69.21921 3.772893 236.1228       25.46609 250.9000       56.28403 232.3189       28.55627 70.45683 8.321629 68.59029 4.274612 1.866531       9.355309 
1 1 1 8   25 12 f 92.04740 4.437628 418.0341       39.86460 0.000000       0.000000 418.0341       39.86460 ?        ?        92.04740 4.437628 ?              ?        
1 1 1 8   25 13 o 148.7793 4.106431 1089.941       59.74446 0.000000       0.000000 1089.941       59.74446 ?        ?        148.7793 4.106431 ?              ?        
1 1 1 8   25 14 o 166.3433 3.808424 1360.916       62.00928 1337.000       124.0442 1368.883       71.59721 163.4313 7.776474 166.6371 4.393363 -3.205811      8.931696 
1 1 1 8   25 15 o 92.37709 4.036964 420.9156       36.41460 396.1000       61.84574 434.0840       45.05191 88.85963 7.171352 93.63609 4.932857 -4.776459      8.704101 
1 1 1 8   25 16 o 76.36208 4.207684 288.2364       31.32890 338.0000       55.33044 264.7537       38.00861 82.04491 6.955275 72.94649 5.360620 9.098427       8.781349 
1 1 1 8   25 17 o 40.73473 4.034368 82.55267       15.87486 75.83000       44.42312 83.53687       16.99722 37.96337 11.19332 40.93313 4.306702 -2.969765      11.99325 
1 1 1 8   25 18 o 41.03056 3.984188 83.75456       15.80003 62.28000       44.06423 86.92293       16.92551 34.93143 11.29969 41.77015 4.196505 -6.838718      12.05378 
1 1 1 8   25 19 o 63.23367 3.311304 197.2775       20.42385 178.0000       47.88496 201.5643       22.58080 58.70304 8.587614 63.86808 3.626920 -5.165031      9.322106 
1 1 1 8   25 20 o 38.50504 4.182515 74.06705       15.51087 114.4000       41.13074 67.38023       16.74736 46.54391 9.352983 36.58403 4.791881 9.959881       10.50906 
1 1 1 8   25 21 o 31.91665 4.855347 51.62908       14.69104 103.9000       36.65928 41.62846       16.03494 44.41964 8.742891 28.36663 5.964554 16.05300       10.58367 
1 1 1 8   25 22 o 72.78031 3.445562 261.7445       24.47628 288.0000       44.97676 250.6972       29.17466 75.59351 6.131099 71.05518 4.213649 4.538322       7.439436 
1 1 1 8   25 23 o 83.94469 3.137414 347.5974       25.73395 371.2000       47.33683 337.6955       30.66040 86.01022 5.654027 82.58674 3.803021 3.423485       6.814029 
1 1 1 8   25 24 o 56.43123 3.313584 157.5851       18.22251 156.2000       29.75334 158.4165       23.05167 55.64029 5.536503 56.39241 4.206446 -0.7521286     6.953204 
1 1 1 8   25 25 o 39.70834 12.55694 87.26000       54.64969 0.000000       0.000000 87.26000       54.64969 ?        ?        39.70834 12.55694 ?              ?        
1 1 1 8   25 26 o 63.37828 6.390605 204.7684       39.10419 0.000000       0.000000 204.7684       39.10419 ?        ?        63.37828 6.390605 ?              ?        
1 1 1 8   25 27 o 36.69478 9.546161 73.43711       34.60908 0.000000       0.000000 73.43711       34.60908 ?        ?        36.69478 9.546161 ?              ?        
1 1 1 8   25 28 o 87.59539 5.476804 386.7503       46.72358 0.000000       0.000000 386.7503       46.72358 ?        ?        87.59539 5.476804 ?              ?        
1 1 1 8   25 29 o 56.91694 6.874914 167.5963       37.52636 0.000000       0.000000 167.5963       37.52636 ?        ?        56.91694 6.874914 ?              ?        
1 1 1 8   25 30 o 52.79893 7.206153 145.6140       36.27124 0.000000       0.000000 145.6140       36.27124 ?        ?        52.79893 7.206153 ?              ?        
1 1 1 8   25 31 o 39.18644 8.829375 84.27805       33.05204 0.000000       0.000000 84.27805       33.05204 ?        ?        39.18644 8.829375 ?              ?        
1 1 1 8   25 32 o 67.58343 6.015618 234.8225       39.37939 0.000000       0.000000 234.8225       39.37939 ?        ?        67.58343 6.015618 ?              ?        
1 1 1 8   25 33 o 52.33324 7.154945 145.1081       35.69265 0.000000       0.000000 145.1081       35.69265 ?        ?        52.33324 7.154945 ?              ?        
1 1 1 8   25 34 o 47.90563 7.609541 123.9122       34.49035 0.000000       0.000000 123.9122       34.49035 ?        ?        47.90563 7.609541 ?              ?        
1 1 1 8   25 35 o 60.97688 6.300772 194.5861       37.06565 0.000000       0.000000 194.5861       37.06565 ?        ?        60.97688 6.300772 ?              ?        
1 1 1 8   25 36 o 56.95544 7.803944 176.5000       42.36379 0.000000       0.000000 176.5000       42.36379 ?        ?        56.95544 7.803944 ?              ?        
1 1 1 8   25 37 o 48.66977 7.029335 127.3701       32.51818 0.000000       0.000000 127.3701       32.51818 ?        ?        48.66977 7.029335 ?              ?        
1 1 1 8   25 38 o 48.07418 12.50695 148.4000       59.40529 0.000000       0.000000 148.4000       59.40529 ?        ?        48.07418 12.50695 ?              ?        
1 1 1 8   25 39 o 30.67524 9.062435 54.62147       29.09539 0.000000       0.000000 54.62147       29.09539 ?        ?        30.67524 9.062435 ?              ?        
1 1 1 8   25 40 o 32.91933 8.885302 63.19839       29.29107 0.000000       0.000000 63.19839       29.29107 ?        ?        32.91933 8.885302 ?              ?        
1 1 1 8   25 41 o 36.34599 8.363102 75.84418       29.13422 0.000000       0.000000 75.84418       29.13422 ?        ?        36.34599 8.363102 ?              ?        
1 1 1 8   25 42 o 31.19785 8.889117 57.57940       28.45677 0.000000       0.000000 57.57940       28.45677 ?        ?        31.19785 8.889117 ?              ?        
1 1 1 8   25 43 o 26.19389 9.084650 39.14806       28.43163 0.000000       0.000000 39.14806       28.43163 ?        ?        26.19389 9.084650 ?              ?        
1 1 1 8   25 44 o 15.77245 7.303711 -14.86597      26.71693 0.000000       0.000000 -14.86597      26.71693 ?        ?        15.77245 7.303711 ?              ?        
1 1 1 8   25 45 f 57.78751 6.177075 179.2437       34.39873 0.000000       0.000000 179.2437       34.39873 ?        ?        57.78751 6.177075 ?              ?        
1 1 1 8   25 46 o 24.16783 9.541145 28.75000       33.31166 0.000000       0.000000 28.75000       33.31166 ?        ?        24.16783 9.541145 ?              ?        
1 1 1 8   25 47 o 34.36827 9.041662 71.40350       30.82036 0.000000       0.000000 71.40350       30.82036 ?        ?        34.36827 9.041662 ?              ?        
1 1 1 8   25 48 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   25 49 o 22.29811 9.264032 19.21000       33.29747 0.000000       0.000000 19.21000       33.29747 ?        ?        22.29811 9.264032 ?              ?        
1 1 1 8   25 50 o 19.56021 8.547036 5.606000       30.99076 0.000000       0.000000 5.606000       30.99076 ?        ?        19.56021 8.547036 ?              ?        
1 1 1 8   25 51 o 18.17589 8.168489 -2.268000      30.33984 0.000000       0.000000 -2.268000      30.33984 ?        ?        18.17589 8.168489 ?              ?        
1 1 1 8   25 52 f 23.23387 9.172582 28.41000       30.78824 0.000000       0.000000 28.41000       30.78824 ?        ?        23.23387 9.172582 ?              ?        
1 1 1 8   26 0  o 66.73461 3.590074 219.3079       23.36464 133.5000       56.29264 237.1668       25.68120 50.40155 11.64457 69.38189 3.795951 -18.98034      12.24767 
1 1 1 8   26 1  o 96.23125 3.283485 455.0047       30.88309 394.7000       68.14712 470.5907       34.64491 88.75120 7.927923 97.82597 3.624354 -9.074768      8.717104 
1 1 1 8   26 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   26 3  o 157.9648 5.331021 1231.778       82.31033 1117.000       114.3927 1355.000       118.5261 149.6676 7.835734 165.0578 7.354677 -15.39018      10.74663 
1 1 1 8   26 4  o 110.1861 3.321945 596.4998       35.78732 661.5000       79.93636 580.2057       40.02227 115.2635 7.119861 108.6086 3.770427 6.654869       8.056584 
1 1 1 8   26 5  o 180.3526 4.018698 1599.021       70.94373 1742.000       151.6453 1558.960       80.26941 186.7122 8.318435 177.8949 4.613676 8.817352       9.512221 
1 1 1 8   26 6  o 242.4470 5.734999 2903.637       136.0994 3212.000       252.8988 2777.922       161.4764 252.2515 10.26396 236.5154 6.982630 15.73607       12.41394 
1 1 1 8   26 7  o 113.3469 3.909997 632.3244       43.31533 712.2000       83.00966 602.4376       50.77633 119.5456 7.126302 110.4925 4.705631 9.053131       8.539739 
1 1 1 8   26 8  o 85.06917 3.386731 355.9613       28.14429 334.3000       64.27753 361.0992       31.30464 81.44631 8.173058 85.63452 3.743728 -4.188210      8.989681 
1 1 1 8   26 9  o 139.2189 3.521219 952.9083       47.94558 1112.000       107.5799 913.4765       53.55880 149.2760 7.385598 136.2114 4.021488 13.06453       8.409485 
1 1 1 8   26 10 o 32.03451 5.944745 52.39297       17.95437 80.08000       49.74978 48.24690       19.25180 39.28816 11.90797 30.60193 6.619890 8.686226       13.62434 
1 1 1 8   26 11 o 47.18653 4.212906 110.5091       19.25390 101.0000       51.49953 112.0542       20.75930 43.61920 11.78523 47.46803 4.522510 -3.848831      12.62318 
1 1 1 8   26 12 o 60.17112 3.634239 178.7067       21.30485 189.7000       52.61175 176.5504       23.30077 60.71035 9.136400 59.75107 4.007158 0.9592857      9.976529 
1 1 1 8   26 13 o 40.87947 5.411039 84.12395       21.12050 0.000000       0.000000 84.12395       21.12050 ?        ?        40.87947 5.411039 ?              ?        
1 1 1 8   26 14 o 78.14436 4.471930 302.3434       34.06290 0.000000       0.000000 302.3434       34.06290 ?        ?        78.14436 4.471930 ?              ?        
1 1 1 8   26 15 o 52.52277 3.695125 136.4974       18.87568 115.8000       47.35541 140.4069       20.58133 46.62307 10.61549 53.22772 3.979088 -6.604645      11.33675 
1 1 1 8   26 16 o 96.35960 4.082842 458.8707       38.42186 462.2000       65.49522 457.1238       47.44315 95.80824 7.032948 95.92476 5.070865 -0.1165237     8.670411 
1 1 1 8   26 17 o 50.65072 3.647413 127.0467       17.96217 133.0000       46.57511 126.0065       19.46821 50.14796 9.840017 50.38572 3.979705 -0.2377625     10.61433 
1 1 1 8   26 18 o 98.39409 3.205028 476.9681       30.82671 550.4000       67.07198 457.3024       34.70996 104.6278 6.582553 96.23798 3.691540 8.389839       7.547017 
1 1 1 8   26 19 o 15.54167 5.819459 9.155046       11.94148 48.70000       37.96147 4.812205       12.58011 31.21061 10.50536 14.39280 5.802423 16.81780       12.00128 
1 1 1 8   26 20 o 94.14796 3.165909 437.0585       29.13382 520.6000       60.63576 411.9841       33.21950 101.7624 6.115668 91.27278 3.726144 10.48962       7.161393 
1 1 1 8   26 21 o 64.97756 3.408715 208.7957       21.60423 253.3000       41.94818 192.7296       25.20392 70.82067 6.110994 62.26059 4.159556 8.560078       7.392304 
1 1 1 8   26 22 o 125.3742 3.708507 777.4262       45.46068 698.6000       73.91071 825.3951       57.65697 117.6003 6.445497 128.8366 4.579285 -11.23624      7.906598 
1 1 1 8   26 23 o 67.39524 3.132535 224.4048       20.60828 261.3000       36.19943 206.7132       25.06690 72.17939 5.157673 64.48705 3.990755 7.692345       6.521327 
1 1 1 8   26 24 o 51.82090 4.672332 134.7123       23.44554 0.000000       0.000000 134.7123       23.44554 ?        ?        51.82090 4.672332 ?              ?        
1 1 1 8   26 25 o 23.71516 9.430470 18.45610       32.76433 0.000000       0.000000 18.45610       32.76433 ?        ?        23.71516 9.430470 ?              ?        
1 1 1 8   26 26 o 40.31828 9.286223 88.43948       35.89164 0.000000       0.000000 88.43948       35.89164 ?        ?        40.31828 9.286223 ?              ?        
1 1 1 8   26 27 o 59.85052 6.811267 184.8146       39.19354 0.000000       0.000000 184.8146       39.19354 ?        ?        59.85052 6.811267 ?              ?        
1 1 1 8   26 28 o 35.68251 9.744746 70.38110       34.98821 0.000000       0.000000 70.38110       34.98821 ?        ?        35.68251 9.744746 ?              ?        
1 1 1 8   26 29 o 81.89704 5.806687 341.3105       46.24633 0.000000       0.000000 341.3105       46.24633 ?        ?        81.89704 5.806687 ?              ?        
1 1 1 8   26 30 o 63.41293 6.328629 207.5506       38.75795 0.000000       0.000000 207.5506       38.75795 ?        ?        63.41293 6.328629 ?              ?        
1 1 1 8   26 31 o 28.14922 9.582975 42.02087       31.59259 0.000000       0.000000 42.02087       31.59259 ?        ?        28.14922 9.582975 ?              ?        
1 1 1 8   26 32 o 59.28118 6.584057 184.0408       37.56105 0.000000       0.000000 184.0408       37.56105 ?        ?        59.28118 6.584057 ?              ?        
1 1 1 8   26 33 o 65.68941 6.189368 224.8134       39.32772 0.000000       0.000000 224.8134       39.32772 ?        ?        65.68941 6.189368 ?              ?        
1 1 1 8   26 34 o 78.67204 5.602260 319.0073       42.85868 0.000000       0.000000 319.0073       42.85868 ?        ?        78.67204 5.602260 ?              ?        
1 1 1 8   26 35 f 32.02077 10.32657 59.99000       36.81925 0.000000       0.000000 59.99000       36.81925 ?        ?        32.02077 10.32657 ?              ?        
1 1 1 8   26 36 o 27.89722 9.257941 43.60688       29.49683 0.000000       0.000000 43.60688       29.49683 ?        ?        27.89722 9.257941 ?              ?        
1 1 1 8   26 37 o 30.78335 12.22535 50.89000       54.99434 0.000000       0.000000 50.89000       54.99434 ?        ?        30.78335 12.22535 ?              ?        
1 1 1 8   26 38 o 38.97401 8.300359 86.15775       30.69394 0.000000       0.000000 86.15775       30.69394 ?        ?        38.97401 8.300359 ?              ?        
1 1 1 8   26 39 o 31.28215 9.104591 57.45498       29.55581 0.000000       0.000000 57.45498       29.55581 ?        ?        31.28215 9.104591 ?              ?        
1 1 1 8   26 40 o 21.20358 8.540973 17.15471       27.23211 0.000000       0.000000 17.15471       27.23211 ?        ?        21.20358 8.540973 ?              ?        
1 1 1 8   26 41 o 50.11111 6.860106 137.0396       32.76651 0.000000       0.000000 137.0396       32.76651 ?        ?        50.11111 6.860106 ?              ?        
1 1 1 8   26 42 o 30.39975 9.087904 55.36071       29.12215 0.000000       0.000000 55.36071       29.12215 ?        ?        30.39975 9.087904 ?              ?        
1 1 1 8   26 43 o 21.43859 8.610247 18.98029       27.58848 0.000000       0.000000 18.98029       27.58848 ?        ?        21.43859 8.610247 ?              ?        
1 1 1 8   26 44 o 51.85714 6.632240 146.6373       32.89518 0.000000       0.000000 146.6373       32.89518 ?        ?        51.85714 6.632240 ?              ?        
1 1 1 8   26 45 o 22.33479 9.225142 19.32000       32.75208 0.000000       0.000000 19.32000       32.75208 ?        ?        22.33479 9.225142 ?              ?        
1 1 1 8   26 46 o 24.17595 8.981833 31.54927       28.33644 0.000000       0.000000 31.54927       28.33644 ?        ?        24.17595 8.981833 ?              ?        
1 1 1 8   26 47 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   26 48 o 15.79103 7.503989 -27.43000      31.52467 0.000000       0.000000 -27.43000      31.52467 ?        ?        15.79103 7.503989 ?              ?        
1 1 1 8   26 49 o 16.58805 7.718806 -15.99000      30.39981 0.000000       0.000000 -15.99000      30.39981 ?        ?        16.58805 7.718806 ?              ?        
1 1 1 8   26 50 o 20.17960 8.685664 10.32000       31.03324 0.000000       0.000000 10.32000       31.03324 ?        ?        20.17960 8.685664 ?              ?        
1 1 1 8   26 51 o 19.45870 8.374743 9.601000       28.84704 0.000000       0.000000 9.601000       28.84704 ?        ?        19.45870 8.374743 ?              ?        
1 1 1 8   27 0  o 141.6221 3.531035 985.5596       48.94849 982.7000       102.9839 986.3942       55.63451 140.2322 7.530281 141.5421 4.019691 -1.309875      8.535985 
1 1 1 8   27 1  o 128.3563 3.891590 811.0175       48.83695 822.7000       92.16822 806.4571       57.58528 128.3280 7.368568 127.8458 4.609250 0.4822845      8.691432 
1 1 1 8   27 2  o 126.6588 3.874456 789.7266       47.97793 879.0000       93.38876 757.7157       55.92202 132.7027 7.216826 123.9107 4.618795 8.791985       8.568305 
1 1 1 8   27 3  o 110.9528 3.320770 605.2386       36.02419 596.1000       77.17004 607.7850       40.73500 109.1805 7.262286 111.1168 3.750633 -1.936378      8.173619 
1 1 1 8   27 4  o 53.65681 4.030384 142.4655       21.01317 175.9000       51.76229 135.8683       22.99304 58.42234 9.368169 52.31487 4.534941 6.107464       10.40809 
1 1 1 8   27 5  o 22.17715 8.033005 20.61417       22.43979 -2.059000      47.08479 27.27736       25.52501 24.71631 10.66895 24.60095 8.603040 0.1153679      13.70543 
1 1 1 8   27 6  o 163.5270 4.411818 1318.813       70.55314 1499.000       133.9351 1249.610       83.00298 172.8999 7.935113 158.8914 5.344483 14.00847       9.567106 
1 1 1 8   27 7  o 67.67175 3.591220 225.8156       23.70271 252.2000       57.93206 220.5108       25.97646 70.35699 8.590026 66.81091 3.990338 3.546074       9.471607 
1 1 1 8   27 8  o 109.4297 3.312296 589.0704       35.43809 670.8000       80.24942 569.2713       39.49799 115.7455 7.117661 107.4939 3.759709 8.251579       8.049628 
1 1 1 8   27 9  o 68.74010 3.579819 233.0679       24.00371 167.4000       56.32580 247.6404       26.53374 56.41827 10.58835 70.82124 3.842006 -14.40297      11.26384 
1 1 1 8   27 10 o 48.43457 4.342265 116.6236       20.36807 126.9000       52.62911 114.8133       22.08939 48.74228 11.25792 47.97764 4.766664 0.7646408      12.22546 
1 1 1 8   27 11 o 49.70215 4.229063 122.7057       20.37911 91.63000       52.87411 128.1276       22.08548 41.45937 12.20842 50.74913 4.492379 -9.289761      13.00872 
1 1 1 8   27 12 o 45.11447 4.424750 101.4460       19.28834 132.3000       52.24028 96.57588       20.75486 49.73877 11.02031 43.91386 4.912579 5.824913       12.06568 
1 1 1 8   27 13 o 24.51343 6.899836 30.92906       17.25181 0.000000       0.000000 30.92906       17.25181 ?        ?        24.51343 6.899836 ?              ?        
1 1 1 8   27 14 f 54.83400 4.069821 149.1909       21.68823 0.000000       0.000000 149.1909       21.68823 ?        ?        54.83400 4.069821 ?              ?        
1 1 1 8   27 15 o 29.35008 6.548150 44.75763       18.33365 18.39000       41.55640 51.13000       20.42926 26.04806 10.52999 31.34964 6.849496 -5.301586      12.56170 
1 1 1 8   27 16 o 55.38560 5.097370 153.5954       27.32460 166.5000       46.36726 146.7293       33.82141 56.56118 8.649428 53.72443 6.567931 2.836746       10.86049 
1 1 1 8   27 17 o 75.12844 4.267517 280.2040       31.25332 319.3000       53.15315 259.5451       38.63820 79.33900 6.913381 71.94876 5.528764 7.390244       8.852235 
1 1 1 8   27 18 o 38.23905 4.168840 73.20302       15.35135 94.42000       39.71943 69.47709       16.64478 41.83868 9.861191 37.13128 4.683641 4.707405       10.91694 
1 1 1 8   27 19 o 121.1819 3.656099 725.8959       43.31765 748.5000       78.28032 715.9191       52.00583 121.7138 6.595260 120.0666 4.432716 1.647240       7.946472 
1 1 1 8   27 20 o 16.06508 6.141267 9.167061       13.46065 0.000000       0.000000 9.167061       13.46065 ?        ?        16.06508 6.141267 ?              ?        
1 1 1 8   27 21 o 18.95963 5.909553 18.00144       12.14734 25.12000       27.72861 16.31084       13.51301 24.12014 8.898863 18.54956 6.267830 5.570576       10.88464 
1 1 1 8   27 22 o 55.61232 3.562665 153.4983       19.29132 203.3000       32.72524 126.9752       23.88211 63.53495 5.310694 50.22741 4.920715 13.30755       7.239952 
1 1 1 8   27 23 o 39.55471 3.986438 78.34064       15.22406 119.7000       23.92237 50.18872       19.73656 48.68110 5.095804 30.89040 6.719096 17.79070       8.432880 
1 1 1 8   27 24 o 56.21159 7.167664 163.7156       38.54167 0.000000       0.000000 163.7156       38.54167 ?        ?        56.21159 7.167664 ?              ?        
1 1 1 8   27 25 o 51.92355 7.743886 141.6520       38.15606 0.000000       0.000000 141.6520       38.15606 ?        ?        51.92355 7.743886 ?              ?        
1 1 1 8   27 26 o 80.85390 5.978324 332.5859       46.97900 0.000000       0.000000 332.5859       46.97900 ?        ?        80.85390 5.978324 ?              ?        
1 1 1 8   27 27 o 47.45539 8.494752 121.0756       38.00972 0.000000       0.000000 121.0756       38.00972 ?        ?        47.45539 8.494752 ?              ?        
1 1 1 8   27 28 o 64.18863 6.611559 213.3613       40.94666 0.000000       0.000000 213.3613       40.94666 ?        ?        64.18863 6.611559 ?              ?        
1 1 1 8   27 29 o 35.69676 9.687402 71.86691       34.70554 0.000000       0.000000 71.86691       34.70554 ?        ?        35.69676 9.687402 ?              ?        
1 1 1 8   27 30 f 42.78526 8.761950 101.3729       35.45874 0.000000       0.000000 101.3729       35.45874 ?        ?        42.78526 8.761950 ?              ?        
1 1 1 8   27 31 o 44.52094 8.556802 109.8789       35.93466 0.000000       0.000000 109.8789       35.93466 ?        ?        44.52094 8.556802 ?              ?        
1 1 1 8   27 32 o 62.19454 6.343057 202.5337       38.07513 0.000000       0.000000 202.5337       38.07513 ?        ?        62.19454 6.343057 ?              ?        
1 1 1 8   27 33 o 79.92136 5.589439 329.6060       43.45012 0.000000       0.000000 329.6060       43.45012 ?        ?        79.92136 5.589439 ?              ?        
1 1 1 8   27 34 o 33.21002 10.31142 65.28000       37.02271 0.000000       0.000000 65.28000       37.02271 ?        ?        33.21002 10.31142 ?              ?        
1 1 1 8   27 35 o 23.43590 9.038465 24.83441       29.33418 0.000000       0.000000 24.83441       29.33418 ?        ?        23.43590 9.038465 ?              ?        
1 1 1 8   27 36 o 53.95577 11.93812 182.7000       61.37791 0.000000       0.000000 182.7000       61.37791 ?        ?        53.95577 11.93812 ?              ?        
1 1 1 8   27 37 o 62.28873 6.158029 205.0238       37.05469 0.000000       0.000000 205.0238       37.05469 ?        ?        62.28873 6.158029 ?              ?        
1 1 1 8   27 38 o 29.19891 9.222700 49.84328       29.48848 0.000000       0.000000 49.84328       29.48848 ?        ?        29.19891 9.222700 ?              ?        
1 1 1 8   27 39 o 32.03955 9.202652 61.07285       30.38073 0.000000       0.000000 61.07285       30.38073 ?        ?        32.03955 9.202652 ?              ?        
1 1 1 8   27 40 o 34.17521 8.935136 69.54721       30.22063 0.000000       0.000000 69.54721       30.22063 ?        ?        34.17521 8.935136 ?              ?        
1 1 1 8   27 41 o 37.68645 8.766563 84.02182       31.72688 0.000000       0.000000 84.02182       31.72688 ?        ?        37.68645 8.766563 ?              ?        
1 1 1 8   27 42 o 33.81346 8.970178 68.64030       30.17366 0.000000       0.000000 68.64030       30.17366 ?        ?        33.81346 8.970178 ?              ?        
1 1 1 8   27 43 o 17.77893 7.860000 -0.3435541     26.91993 0.000000       0.000000 -0.3435541     26.91993 ?        ?        17.77893 7.860000 ?              ?        
1 1 1 8   27 44 o 24.06163 9.485550 28.75000       32.88206 0.000000       0.000000 28.75000       32.88206 ?        ?        24.06163 9.485550 ?              ?        
1 1 1 8   27 45 o 25.53060 9.147909 37.22638       29.00750 0.000000       0.000000 37.22638       29.00750 ?        ?        25.53060 9.147909 ?              ?        
1 1 1 8   27 46 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   27 47 o 22.92423 9.364538 23.18000       33.27223 0.000000       0.000000 23.18000       33.27223 ?        ?        22.92423 9.364538 ?              ?        
1 1 1 8   27 48 o 29.36798 10.02542 54.68000       34.58113 0.000000       0.000000 54.68000       34.58113 ?        ?        29.36798 10.02542 ?              ?        
1 1 1 8   27 49 o 19.94407 8.646726 8.691000       31.19875 0.000000       0.000000 8.691000       31.19875 ?        ?        19.94407 8.646726 ?              ?        
1 1 1 8   27 50 o 19.70573 8.544316 9.088000       30.47082 0.000000       0.000000 9.088000       30.47082 ?        ?        19.70573 8.544316 ?              ?        
1 1 1 8   28 0  o 158.2679 4.266773 1235.989       66.03927 1162.000       116.3688 1271.137       80.20573 151.9829 7.848907 160.2180 5.120898 -8.235092      9.371709 
1 1 1 8   28 1  o 29.02709 6.846758 43.67858       19.13593 -14.10000      46.87735 55.23187       20.96199 23.12419 10.28936 32.70637 6.770945 -9.582182      12.31733 
1 1 1 8   28 2  o 148.6200 4.227454 1089.930       61.43571 1257.000       116.9638 1026.274       72.19701 158.2112 7.574802 143.9311 5.132797 14.28008       9.150041 
1 1 1 8   28 3  o 120.5622 3.399549 715.4047       40.07790 770.2000       86.93664 700.6166       45.16331 123.9045 7.199194 119.2079 3.875717 4.696640       8.176159 
1 1 1 8   28 4  o 124.0157 3.997855 758.6413       48.46654 785.3000       89.16161 747.4604       57.74248 125.0453 7.316540 122.8828 4.809919 2.162544       8.755974 
1 1 1 8   28 5  o 85.35942 3.351181 358.8925       27.94543 334.1000       63.45911 364.8571       31.12599 81.09911 8.102487 86.00594 3.706029 -4.906830      8.909822 
1 1 1 8   28 6  o 97.73586 3.296424 470.3048       31.49063 543.5000       72.35202 453.1985       34.97740 103.9667 7.153279 95.85847 3.734932 8.108223       8.069642 
1 1 1 8   28 7  o 104.6814 3.323112 539.5754       34.00714 592.8000       76.42113 526.4334       37.97422 108.5302 7.235089 103.3092 3.761569 5.220940       8.154503 
1 1 1 8   28 8  o 76.02225 3.460759 285.0460       25.68489 273.9000       60.04329 287.5424       28.41607 73.10069 8.552946 76.29175 3.817350 -3.191055      9.366165 
1 1 1 8   28 9  o 67.99506 3.642238 228.3976       24.15262 209.5000       56.96739 232.5389       26.66809 63.43633 9.463553 68.54682 3.991918 -5.110497      10.27104 
1 1 1 8   28 10 o 72.49209 3.542156 259.4481       25.05807 229.8000       58.91039 265.9973       27.68773 66.51215 9.302752 73.34217 3.870503 -6.830025      10.07581 
1 1 1 8   28 11 o 49.68941 4.274234 122.8801       20.58693 58.09000       52.53253 134.6357       22.37679 34.72363 12.32488 51.99562 4.439097 -17.27199      13.09994 
1 1 1 8   28 12 o 120.0728 3.922930 712.3943       46.04454 846.5000       90.58487 665.6741       53.46691 129.4910 7.174821 115.8145 4.726387 13.67643       8.591670 
1 1 1 8   28 13 o 38.94714 4.770442 76.30077       17.80688 108.3000       47.39906 71.04240       19.21433 44.66985 10.93110 37.41667 5.402583 7.253174       12.19331 
1 1 1 8   28 14 o 48.61798 4.378041 117.9691       20.61156 0.000000       0.000000 117.9691       20.61156 ?        ?        48.61798 4.378041 ?              ?        
1 1 1 8   28 15 o 20.62811 6.786790 20.68922       15.86248 0.000000       0.000000 20.68922       15.86248 ?        ?        20.62811 6.786790 ?              ?        
1 1 1 8   28 16 o 40.86192 4.234631 83.56396       16.69193 113.2000       42.02044 78.01138       18.18853 45.90890 9.657513 39.33450 4.825029 6.574398       10.79576 
1 1 1 8   28 17 o 56.78048 8.219205 168.2000       44.35382 168.2000       44.35382 0.000000       0.000000 56.78048 8.219205 ?        ?        ?              ?        
1 1 1 8   28 18 o 54.55634 3.647366 147.7366       19.36551 203.0000       43.05894 133.7242       21.68207 62.88096 7.121004 51.74343 4.320336 11.13753       8.329105 
1 1 1 8   28 19 o 59.18000 3.503247 173.6323       20.20248 161.8000       39.95393 177.6967       23.41659 55.85744 7.496658 59.74916 4.027452 -3.891720      8.510009 
1 1 1 8   28 20 o 25.16744 5.352473 32.86378       12.77959 74.35000       29.69470 23.43323       14.15779 37.27100 8.347441 21.35341 6.325034 15.91758       10.47310 
1 1 1 8   28 21 o 46.24215 3.876323 106.7013       17.38412 64.86000       29.12383 129.8606       21.66749 34.67445 8.618284 50.91605 4.390424 -16.24160      9.672158 
1 1 1 8   28 22 o 53.40775 3.258068 141.4046       16.95116 182.7000       30.47456 122.9034       20.39796 60.17348 5.225762 49.54972 4.246620 10.62376       6.733675 
1 1 1 8   28 23 o 82.06944 3.036395 332.8783       24.34986 348.1000       40.86021 324.4956       30.32226 83.22742 5.039269 80.79093 3.845397 2.436485       6.338873 
1 1 1 8   28 24 o 55.76748 7.430197 162.6679       39.55074 0.000000       0.000000 162.6679       39.55074 ?        ?        55.76748 7.430197 ?              ?        
1 1 1 8   28 25 o 69.43367 6.479527 247.8184       43.52874 0.000000       0.000000 247.8184       43.52874 ?        ?        69.43367 6.479527 ?              ?        
1 1 1 8   28 26 o 94.24445 5.726083 451.8421       52.57333 0.000000       0.000000 451.8421       52.57333 ?        ?        94.24445 5.726083 ?              ?        
1 1 1 8   28 27 o 59.03801 7.148117 183.0487       40.46733 0.000000       0.000000 183.0487       40.46733 ?        ?        59.03801 7.148117 ?              ?        
1 1 1 8   28 28 o 51.10151 7.797095 140.1975       37.76755 0.000000       0.000000 140.1975       37.76755 ?        ?        51.10151 7.797095 ?              ?        
1 1 1 8   28 29 o 27.72702 9.815709 40.41348       33.30130 0.000000       0.000000 40.41348       33.30130 ?        ?        27.72702 9.815709 ?              ?        
1 1 1 8   28 30 o 28.27633 9.803256 43.47843       33.10609 0.000000       0.000000 43.47843       33.10609 ?        ?        28.27633 9.803256 ?              ?        
1 1 1 8   28 31 o 21.68268 8.962048 13.57691       30.93984 0.000000       0.000000 13.57691       30.93984 ?        ?        21.68268 8.962048 ?              ?        
1 1 1 8   28 32 o 28.28984 10.29571 43.25000       36.92057 0.000000       0.000000 43.25000       36.92057 ?        ?        28.28984 10.29571 ?              ?        
1 1 1 8   28 33 o 34.42871 9.294437 68.95316       32.04707 0.000000       0.000000 68.95316       32.04707 ?        ?        34.42871 9.294437 ?              ?        
1 1 1 8   28 34 o 70.25264 10.21301 288.7000       68.17457 0.000000       0.000000 288.7000       68.17457 ?        ?        70.25264 10.21301 ?              ?        
1 1 1 8   28 35 o 33.23207 12.59751 67.85000       56.34254 0.000000       0.000000 67.85000       56.34254 ?        ?        33.23207 12.59751 ?              ?        
1 1 1 8   28 36 o 55.45617 6.458387 164.1967       34.40216 0.000000       0.000000 164.1967       34.40216 ?        ?        55.45617 6.458387 ?              ?        
1 1 1 8   28 37 o 29.54105 9.174603 51.23166       29.30722 0.000000       0.000000 51.23166       29.30722 ?        ?        29.54105 9.174603 ?              ?        
1 1 1 8   28 38 o 37.09604 8.635841 80.29468       30.76845 0.000000       0.000000 80.29468       30.76845 ?        ?        37.09604 8.635841 ?              ?        
1 1 1 8   28 39 o 19.96324 8.440048 10.19775       28.38568 0.000000       0.000000 10.19775       28.38568 ?        ?        19.96324 8.440048 ?              ?        
1 1 1 8   28 40 o 22.32759 8.901218 22.11759       29.26238 0.000000       0.000000 22.11759       29.26238 ?        ?        22.32759 8.901218 ?              ?        
1 1 1 8   28 41 o 22.91452 8.925466 25.31030       28.82054 0.000000       0.000000 25.31030       28.82054 ?        ?        22.91452 8.925466 ?              ?        
1 1 1 8   28 42 o 30.22145 9.024581 55.26407       28.72995 0.000000       0.000000 55.26407       28.72995 ?        ?        30.22145 9.024581 ?              ?        
1 1 1 8   28 43 o 21.96224 9.216891 16.77000       33.45528 0.000000       0.000000 16.77000       33.45528 ?        ?        21.96224 9.216891 ?              ?        
1 1 1 8   28 44 o 40.00299 8.259968 93.48600       31.27093 0.000000       0.000000 93.48600       31.27093 ?        ?        40.00299 8.259968 ?              ?        
1 1 1 8   28 45 o 20.96856 9.101340 9.270000       34.64696 0.000000       0.000000 9.270000       34.64696 ?        ?        20.96856 9.101340 ?              ?        
1 1 1 8   28 46 o 20.93408 8.996544 11.44000       33.19715 0.000000       0.000000 11.44000       33.19715 ?        ?        20.93408 8.996544 ?              ?        
1 1 1 8   28 47 o 24.61249 9.617704 32.71000       33.55128 0.000000       0.000000 32.71000       33.55128 ?        ?        24.61249 9.617704 ?              ?        
1 1 1 8   28 48 o 18.61591 8.332878 -0.4054000     31.22932 0.000000       0.000000 -0.4054000     31.22932 ?        ?        18.61591 8.332878 ?              ?        
1 1 1 8   28 49 o 28.75288 9.664464 53.51000       32.12804 0.000000       0.000000 53.51000       32.12804 ?        ?        28.75288 9.664464 ?              ?        
1 1 1 8   29 0  o 74.77503 3.933200 276.5479       28.68659 301.8000       58.65973 268.6106       32.88748 76.94749 7.900330 73.55095 4.590999 3.396545       9.137422 
1 1 1 8   29 1  o 88.31085 3.944441 385.4690       34.01013 434.0000       65.82410 367.7948       39.72323 92.64346 7.318182 86.07169 4.733180 6.571762       8.715434 
1 1 1 8   29 2  f 86.78279 5.391784 375.4747       45.57449 378.0000       64.78023 373.0000       64.12884 86.24312 7.756604 85.67753 7.729854 0.5655899      10.95060 
1 1 1 8   29 3  o 65.55785 4.547281 213.5838       28.99899 249.3000       58.39380 201.8920       33.41000 69.51365 8.777351 63.52374 5.425089 5.989910       10.31860 
1 1 1 8   29 4  o 69.10766 3.629081 235.9874       24.46270 305.2000       59.79202 222.0730       26.80914 77.30325 8.018364 66.94202 4.111287 10.36122       9.010929 
1 1 1 8   29 5  o 77.99052 4.159329 301.2609       31.63718 366.1000       62.79043 279.1996       36.62605 84.86755 7.640384 74.86533 5.027219 10.00221       9.145949 
1 1 1 8   29 6  o 86.04241 3.384923 365.1442       28.45243 383.4000       65.07267 360.8291       31.63686 86.79196 7.740876 85.44772 3.792013 1.344246       8.619775 
1 1 1 8   29 7  o 67.20319 3.685685 223.3702       24.15174 287.6000       58.69677 210.2795       26.49888 74.88849 8.138133 65.09939 4.180673 9.789101       9.149165 
1 1 1 8   29 8  o 69.59034 3.658280 239.5000       24.83157 258.5000       58.71053 235.3607       27.40327 70.69416 8.665506 68.89710 4.081745 1.797058       9.578708 
1 1 1 8   29 9  o 67.05072 3.699795 222.4962       24.18803 228.0000       58.12166 221.3433       26.60099 66.04371 9.243635 66.79469 4.088227 -0.7509842     10.10734 
1 1 1 8   29 10 o 62.73460 3.708851 194.9324       22.67308 243.2000       55.76004 185.3710       24.81734 68.51218 8.496731 61.07310 4.176581 7.439072       9.467749 
1 1 1 8   29 11 o 23.50955 7.059697 28.29278       17.54425 32.78000       48.11897 27.60482       18.84121 29.48253 11.51876 23.40855 7.369139 6.073984       13.67428 
1 1 1 8   29 12 o 44.24231 4.463410 98.02814       19.06508 123.7000       50.89796 93.83838       20.56206 47.47028 11.14572 43.16182 4.956855 4.308456       12.19825 
1 1 1 8   29 13 o 20.51230 6.859655 20.23582       16.18781 -4.060000      44.01014 24.03713       17.40817 23.21201 10.16302 22.00758 7.100891 1.204430       12.39797 
1 1 1 8   29 14 o 45.74369 4.683794 105.0559       20.67599 0.000000       0.000000 105.0559       20.67599 ?        ?        45.74369 4.683794 ?              ?        
1 1 1 8   29 15 o 34.44552 5.569264 60.80706       18.13699 0.000000       0.000000 60.80706       18.13699 ?        ?        34.44552 5.569264 ?              ?        
1 1 1 8   29 16 o 50.78366 3.759487 128.2828       18.55531 184.6000       43.96553 116.0776       20.46745 59.62424 7.713870 48.14948 4.391028 11.47476       8.876087 
1 1 1 8   29 17 o 100.8868 4.632587 507.8011       45.62505 534.5000       64.34281 480.8000       64.70585 102.6136 6.438480 97.07127 6.854061 5.542328       9.403838 
1 1 1 8   29 18 o 29.71674 5.030777 45.27311       14.11172 66.77000       34.13808 40.84277       15.49780 35.00027 9.652594 27.99988 5.843815 7.000395       11.28374 
1 1 1 8   29 19 o 90.77570 3.885218 409.2997       34.44178 423.4000       53.46878 399.3000       45.02774 91.40785 6.009330 89.15009 5.182371 2.257767       7.935302 
1 1 1 8   29 20 o 100.1761 3.556406 497.3002       34.81706 516.0000       58.49451 487.0401       43.32833 100.9367 5.946868 98.77213 4.493351 2.164589       7.453552 
1 1 1 8   29 21 o 25.98644 5.321815 35.08932       13.08083 67.30000       25.87775 24.03423       15.16030 35.50158 7.671142 21.61832 6.577843 13.88326       10.10517 
1 1 1 8   29 22 o 40.36253 4.553393 82.32151       17.67590 0.000000       0.000000 82.32151       17.67590 ?        ?        40.36253 4.553393 ?              ?        
1 1 1 8   29 23 f 99.56938 3.800947 493.0834       36.97649 0.000000       0.000000 493.0834       36.97649 ?        ?        99.56938 3.800947 ?              ?        
1 1 1 8   29 24 o 51.09361 8.175013 139.7867       39.50703 0.000000       0.000000 139.7867       39.50703 ?        ?        51.09361 8.175013 ?              ?        
1 1 1 8   29 25 o 53.59508 7.722558 152.8933       39.34518 0.000000       0.000000 152.8933       39.34518 ?        ?        53.59508 7.722558 ?              ?        
1 1 1 8   29 26 o 60.60657 6.860548 192.6001       39.98423 0.000000       0.000000 192.6001       39.98423 ?        ?        60.60657 6.860548 ?              ?        
1 1 1 8   29 27 o 47.00291 8.584406 121.7839       38.04005 0.000000       0.000000 121.7839       38.04005 ?        ?        47.00291 8.584406 ?              ?        
1 1 1 8   29 28 o 47.76793 8.324289 125.8024       37.50755 0.000000       0.000000 125.8024       37.50755 ?        ?        47.76793 8.324289 ?              ?        
1 1 1 8   29 29 o 42.65581 8.926534 102.7691       36.07211 0.000000       0.000000 102.7691       36.07211 ?        ?        42.65581 8.926534 ?              ?        
1 1 1 8   29 30 o 79.68098 5.795140 329.2920       44.88963 0.000000       0.000000 329.2920       44.88963 ?        ?        79.68098 5.795140 ?              ?        
1 1 1 8   29 31 o 43.73085 10.01748 112.7000       41.95663 0.000000       0.000000 112.7000       41.95663 ?        ?        43.73085 10.01748 ?              ?        
1 1 1 8   29 32 o 18.40687 8.133473 -2.048200      28.79057 0.000000       0.000000 -2.048200      28.79057 ?        ?        18.40687 8.133473 ?              ?        
1 1 1 8   29 33 o 35.25287 13.07884 79.98000       60.04435 0.000000       0.000000 79.98000       60.04435 ?        ?        35.25287 13.07884 ?              ?        
1 1 1 8   29 34 f 20.28643 8.603916 8.931066       29.65495 0.000000       0.000000 8.931066       29.65495 ?        ?        20.28643 8.603916 ?              ?        
1 1 1 8   29 35 o 30.13161 9.118003 53.30415       29.18494 0.000000       0.000000 53.30415       29.18494 ?        ?        30.13161 9.118003 ?              ?        
1 1 1 8   29 36 o 18.27555 8.003467 0.9491479      27.30740 0.000000       0.000000 0.9491479      27.30740 ?        ?        18.27555 8.003467 ?              ?        
1 1 1 8   29 37 o 54.67619 6.556280 161.5444       34.38934 0.000000       0.000000 161.5444       34.38934 ?        ?        54.67619 6.556280 ?              ?        
1 1 1 8   29 38 o 43.00006 7.981878 105.6514       32.35889 0.000000       0.000000 105.6514       32.35889 ?        ?        43.00006 7.981878 ?              ?        
1 1 1 8   29 39 o 33.92635 9.104044 69.75054       30.85970 0.000000       0.000000 69.75054       30.85970 ?        ?        33.92635 9.104044 ?              ?        
1 1 1 8   29 40 o 42.40560 8.098996 103.5633       32.39157 0.000000       0.000000 103.5633       32.39157 ?        ?        42.40560 8.098996 ?              ?        
1 1 1 8   29 41 o 20.11656 8.447148 12.15585       28.12554 0.000000       0.000000 12.15585       28.12554 ?        ?        20.11656 8.447148 ?              ?        
1 1 1 8   29 42 o 34.83609 10.05589 77.15000       36.19038 0.000000       0.000000 77.15000       36.19038 ?        ?        34.83609 10.05589 ?              ?        
1 1 1 8   29 43 o 27.81958 11.59132 41.97000       52.34484 0.000000       0.000000 41.97000       52.34484 ?        ?        27.81958 11.59132 ?              ?        
1 1 1 8   29 44 o 22.15276 9.306560 17.81000       34.16474 0.000000       0.000000 17.81000       34.16474 ?        ?        22.15276 9.306560 ?              ?        
1 1 1 8   29 45 o 24.03770 9.652433 28.78000       34.66494 0.000000       0.000000 28.78000       34.66494 ?        ?        24.03770 9.652433 ?              ?        
1 1 1 8   29 46 o 20.88525 8.958996 12.31000       32.80688 0.000000       0.000000 12.31000       32.80688 ?        ?        20.88525 8.958996 ?              ?        
1 1 1 8   29 47 o 25.07401 9.593229 36.29000       32.86400 0.000000       0.000000 36.29000       32.86400 ?        ?        25.07401 9.593229 ?              ?        
1 1 1 8   29 48 o 18.54486 8.247755 2.127000       30.08315 0.000000       0.000000 2.127000       30.08315 ?        ?        18.54486 8.247755 ?              ?        
1 1 1 8   30 0  o 44.20908 4.502259 97.82331       19.21108 75.19000       49.65664 101.8073       20.83336 37.53568 11.98137 45.04273 4.799108 -7.507050      12.90677 
1 1 1 8   30 1  o 67.04422 6.041489 226.7030       39.22226 281.2000       58.39207 181.9000       52.94449 73.85770 8.215927 58.68719 9.544255 15.17051       12.59342 
1 1 1 8   30 2  o 75.93668 5.669293 289.4387       41.83513 312.3000       60.43153 268.4000       57.97266 77.94608 8.035723 72.05733 8.375251 5.888748       11.60679 
1 1 1 8   30 3  o 64.76316 3.675253 207.6940       23.20253 200.7000       54.98321 209.2094       25.59293 61.73937 9.394150 64.91966 4.047656 -3.180294      10.22906 
1 1 1 8   30 4  o 40.75737 5.022870 83.81321       19.61503 84.06000       50.31810 83.76898       21.30006 39.28953 11.98951 40.62836 5.496946 -1.338833      13.18957 
1 1 1 8   30 5  o 68.21798 3.654270 230.4161       24.31185 295.6000       58.65046 216.8918       26.71515 75.74303 8.033171 66.06796 4.152046 9.675072       9.042749 
1 1 1 8   30 6  o 46.68521 5.596716 110.3678       25.06602 83.15000       50.69825 119.1737       28.83719 39.04567 12.05696 48.34831 6.238760 -9.302643      13.57543 
1 1 1 8   30 7  f 44.88311 4.755917 101.1849       20.57653 96.52000       50.59862 102.1092       22.52300 41.77134 11.83702 44.97577 5.212532 -3.204430      12.93389 
1 1 1 8   30 8  o 52.89677 4.173888 139.4337       21.43606 90.26000       51.22640 149.8722       23.60185 40.43657 12.04467 54.79014 4.438839 -14.35357      12.83656 
1 1 1 8   30 9  o 82.27885 3.403834 334.6107       27.35420 452.9000       65.66055 309.7697       30.08965 94.24589 7.171482 79.03756 3.901412 15.20833       8.164017 
1 1 1 8   30 10 o 73.15657 3.499590 264.8607       24.98708 353.3000       60.57537 246.7271       27.42941 82.95675 7.542360 70.48335 3.992113 12.47340       8.533708 
1 1 1 8   30 11 o 82.01345 3.397523 332.5976       27.21524 480.3000       66.22768 302.5878       29.85224 97.05950 7.018407 78.08597 3.918210 18.97353       8.038060 
1 1 1 8   30 12 o 54.21441 3.981697 146.3603       20.98211 239.0000       54.00262 129.8885       22.77119 67.66949 8.328455 50.90028 4.620755 16.76922       9.524418 
1 1 1 8   30 13 o 59.05237 3.682080 173.1660       21.17729 209.4000       49.09278 164.8820       23.47362 63.33664 8.104178 57.49141 4.200277 5.845238       9.127981 
1 1 1 8   30 14 o 28.65524 6.115436 42.89760       16.63025 77.73000       38.73400 35.02558       18.41381 37.59750 10.24713 25.80202 7.078682 11.79547       12.45437 
1 1 1 8   30 15 o 50.04646 4.756962 125.9911       23.02300 0.000000       0.000000 125.9911       23.02300 ?        ?        50.04646 4.756962 ?              ?        
1 1 1 8   30 16 o 93.42014 4.206033 434.6024       38.36226 0.000000       0.000000 434.6024       38.36226 ?        ?        93.42014 4.206033 ?              ?        
1 1 1 8   30 17 o 86.84809 4.140924 375.6352       35.10031 410.7000       55.12775 351.7281       45.51952 89.81660 6.310741 83.43319 5.606359 6.383408       8.441370 
1 1 1 8   30 18 o 103.2292 5.049365 535.0735       50.86582 632.1000       67.24416 405.3000       77.76827 111.5269 6.184043 87.22770 9.249177 24.29916       11.12608 
1 1 1 8   30 19 o 85.37862 3.599205 361.8896       30.01143 425.5000       52.36618 330.7781       36.62251 91.54128 5.875256 81.24315 4.624368 10.29813       7.476858 
1 1 1 8   30 20 o 44.28673 3.689046 97.95625       15.84657 140.9000       32.00316 84.00730       18.23953 52.24694 6.390743 40.73804 4.657738 11.50890       7.907979 
1 1 1 8   30 21 o 87.06207 3.701331 376.9676       31.47031 430.5000       48.74240 338.7000       41.21107 92.22538 5.423398 81.89646 5.167283 10.32892       7.490932 
1 1 1 8   30 22 o 92.07771 3.804552 422.4271       34.21588 402.6000       46.39767 446.0642       50.65990 89.12313 5.343161 93.70081 5.548344 -4.577675      7.702824 
1 1 1 8   30 23 o 62.64183 6.807336 204.7520       41.06917 0.000000       0.000000 204.7520       41.06917 ?        ?        62.64183 6.807336 ?              ?        
1 1 1 8   30 24 o 38.08947 9.907796 82.89418       37.28391 0.000000       0.000000 82.89418       37.28391 ?        ?        38.08947 9.907796 ?              ?        
1 1 1 8   30 25 o 49.25875 8.360836 132.8152       38.87267 0.000000       0.000000 132.8152       38.87267 ?        ?        49.25875 8.360836 ?              ?        
1 1 1 8   30 26 o 44.32768 8.919385 110.4212       37.35881 0.000000       0.000000 110.4212       37.35881 ?        ?        44.32768 8.919385 ?              ?        
1 1 1 8   30 27 o 32.81487 9.857261 62.54234       34.19967 0.000000       0.000000 62.54234       34.19967 ?        ?        32.81487 9.857261 ?              ?        
1 1 1 8   30 28 o 36.57132 9.582887 77.92441       34.71054 0.000000       0.000000 77.92441       34.71054 ?        ?        36.57132 9.582887 ?              ?        
1 1 1 8   30 29 o 63.42280 6.414220 212.4782       39.27273 0.000000       0.000000 212.4782       39.27273 ?        ?        63.42280 6.414220 ?              ?        
1 1 1 8   30 30 o 44.73104 10.03087 118.4000       42.83315 0.000000       0.000000 118.4000       42.83315 ?        ?        44.73104 10.03087 ?              ?        
1 1 1 8   30 31 o 27.49556 9.452849 42.30479       30.75730 0.000000       0.000000 42.30479       30.75730 ?        ?        27.49556 9.452849 ?              ?        
1 1 1 8   30 32 o 24.88924 11.18947 2.460000       56.98668 0.000000       0.000000 2.460000       56.98668 ?        ?        24.88924 11.18947 ?              ?        
1 1 1 8   30 33 o 55.34768 6.697772 164.8372       35.54850 0.000000       0.000000 164.8372       35.54850 ?        ?        55.34768 6.697772 ?              ?        
1 1 1 8   30 34 o 27.18492 9.214790 42.38020       29.20822 0.000000       0.000000 42.38020       29.20822 ?        ?        27.18492 9.214790 ?              ?        
1 1 1 8   30 35 o 65.61036 5.841545 227.2897       37.12326 0.000000       0.000000 227.2897       37.12326 ?        ?        65.61036 5.841545 ?              ?        
1 1 1 8   30 36 o 24.62869 9.120077 32.59638       29.17149 0.000000       0.000000 32.59638       29.17149 ?        ?        24.62869 9.120077 ?              ?        
1 1 1 8   30 37 o 32.60332 9.153304 64.40864       30.40169 0.000000       0.000000 64.40864       30.40169 ?        ?        32.60332 9.153304 ?              ?        
1 1 1 8   30 38 o 18.16088 8.066213 -0.8563404     28.67660 0.000000       0.000000 -0.8563404     28.67660 ?        ?        18.16088 8.066213 ?              ?        
1 1 1 8   30 39 o 30.39446 9.183689 56.15938       29.62270 0.000000       0.000000 56.15938       29.62270 ?        ?        30.39446 9.183689 ?              ?        
1 1 1 8   30 40 o 29.93321 9.221847 54.82862       29.67919 0.000000       0.000000 54.82862       29.67919 ?        ?        29.93321 9.221847 ?              ?        
1 1 1 8   30 41 o 22.63578 8.859888 24.97687       28.51116 0.000000       0.000000 24.97687       28.51116 ?        ?        22.63578 8.859888 ?              ?        
1 1 1 8   30 42 o 27.48830 11.65214 38.87000       54.34047 0.000000       0.000000 38.87000       54.34047 ?        ?        27.48830 11.65214 ?              ?        
1 1 1 8   30 43 o 34.27156 10.33687 76.54000       37.55281 0.000000       0.000000 76.54000       37.55281 ?        ?        34.27156 10.33687 ?              ?        
1 1 1 8   30 44 o 34.39415 10.27322 77.16000       37.22643 0.000000       0.000000 77.16000       37.22643 ?        ?        34.39415 10.27322 ?              ?        
1 1 1 8   30 45 o 28.68109 10.06215 52.47000       34.93534 0.000000       0.000000 52.47000       34.93534 ?        ?        28.68109 10.06215 ?              ?        
1 1 1 8   30 46 o 18.79687 8.417820 0.1879000      31.90950 0.000000       0.000000 0.1879000      31.90950 ?        ?        18.79687 8.417820 ?              ?        
1 1 1 8   30 47 o 26.23732 9.712173 43.14000       33.07673 0.000000       0.000000 43.14000       33.07673 ?        ?        26.23732 9.712173 ?              ?        
1 1 1 8   31 0  o 41.33121 7.631741 89.61148       29.73795 0.000000       0.000000 89.61148       29.73795 ?        ?        41.33121 7.631741 ?              ?        
1 1 1 8   31 1  o 98.69479 3.328901 481.1588       32.11289 570.7000       73.05087 459.7107       35.75267 105.8241 7.093327 96.33279 3.799098 9.491318       8.046640 
1 1 1 8   31 2  o 92.83615 3.976166 427.5137       36.04797 406.3000       66.00886 436.5290       43.03132 88.90962 7.659450 93.56006 4.714000 -4.650436      8.993829 
1 1 1 8   31 3  o 54.88961 4.907695 151.2374       26.08990 159.2000       51.74611 148.5233       30.21089 54.29587 10.10842 54.12774 5.792074 0.1681328      11.65025 
1 1 1 8   31 4  o 78.81668 3.472968 307.3772       26.72745 218.5000       58.00347 331.3353       30.11513 64.10104 9.534323 81.75707 3.773341 -17.65603      10.25385 
1 1 1 8   31 5  o 64.99282 3.702664 209.5512       23.45770 225.6000       56.67305 206.2332       25.76872 65.35143 9.106637 64.37393 4.111044 0.9774933      9.991572 
1 1 1 8   31 6  o 41.58373 5.002633 87.42463       19.95389 73.22000       50.30484 90.07687       21.73707 36.79406 12.08504 42.11094 5.397452 -5.316879      13.23558 
1 1 1 8   31 7  o 95.07661 4.080675 449.0085       37.88782 519.9000       71.60741 421.4461       44.64973 100.7335 7.312146 91.77251 4.989263 8.960953       8.852131 
1 1 1 8   31 8  o 55.14884 5.153253 153.2681       27.49579 118.7000       53.67542 165.5664       32.01540 45.86461 11.86660 57.12137 5.806657 -11.25676      13.21111 
1 1 1 8   31 9  o 35.88462 5.948501 66.41744       20.16270 80.68000       49.90186 63.63474       22.04204 38.14424 11.99072 34.88884 6.697906 3.255398       13.73460 
1 1 1 8   31 10 o 96.97156 3.799801 466.4910       35.99730 0.000000       0.000000 466.4910       35.99730 ?        ?        96.97156 3.799801 ?              ?        
1 1 1 8   31 11 o 31.54087 6.246240 51.92563       18.60167 -7.340000      46.03614 63.49005       20.33571 23.12047 10.24720 34.98418 6.163656 -11.86371      11.95808 
1 1 1 8   31 12 o 49.88195 4.240027 124.5518       20.50628 109.1000       47.94604 128.0111       22.68587 44.06455 11.11824 50.46409 4.644757 -6.399540      12.04944 
1 1 1 8   31 13 o 77.84361 3.339294 300.0691       25.38473 424.9000       56.10633 267.9389       28.46476 91.36095 6.312823 73.36823 3.978518 17.99272       7.461926 
1 1 1 8   31 14 o 104.7147 3.568532 543.5162       36.52317 572.9000       66.89598 531.0377       43.59388 106.0000 6.478391 103.1992 4.325208 2.800797       7.789543 
1 1 1 8   31 15 o 45.05455 4.770330 102.5348       20.71828 0.000000       0.000000 102.5348       20.71828 ?        ?        45.05455 4.770330 ?              ?        
1 1 1 8   31 16 o 43.32183 4.823829 95.02808       20.10871 0.000000       0.000000 95.02808       20.10871 ?        ?        43.32183 4.823829 ?              ?        
1 1 1 8   31 17 o 66.44286 5.726521 224.7383       36.88001 214.9000       44.19550 247.3000       66.92720 64.28342 7.144347 66.83559 10.58235 -2.552162      12.76823 
1 1 1 8   31 18 o 20.57104 7.843493 16.70056       21.92020 21.19000       30.84989 12.12275       31.15201 23.61405 9.223889 21.93990 9.022854 1.674152       12.90318 
1 1 1 8   31 19 o 41.11274 3.948446 84.87708       15.69433 94.29000       32.90708 82.10561       17.85593 41.70547 8.352491 40.24362 4.616414 1.461853       9.543343 
1 1 1 8   31 20 o 55.17639 4.750919 154.0125       25.40923 186.5000       34.37199 114.8660       37.73052 60.24670 5.904347 45.83175 8.729154 14.41495       10.53847 
1 1 1 8   31 21 o 23.69307 5.953468 29.77016       13.78818 0.000000       0.000000 29.77016       13.78818 ?        ?        23.69307 5.953468 ?              ?        
1 1 1 8   31 22 o 78.54176 3.203978 306.5600       24.58011 262.2000       38.19380 337.9219       32.11435 71.57259 5.493801 82.12131 4.007285 -10.54872      6.800014 
1 1 1 8   31 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   31 24 o 55.19620 7.580727 164.4067       39.87606 0.000000       0.000000 164.4067       39.87606 ?        ?        55.19620 7.580727 ?              ?        
1 1 1 8   31 25 o 41.65811 9.143815 99.02100       36.26006 0.000000       0.000000 99.02100       36.26006 ?        ?        41.65811 9.143815 ?              ?        
1 1 1 8   31 26 o 42.59952 8.928193 103.1338       36.03563 0.000000       0.000000 103.1338       36.03563 ?        ?        42.59952 8.928193 ?              ?        
1 1 1 8   31 27 o 69.90277 6.226298 256.7556       42.15666 0.000000       0.000000 256.7556       42.15666 ?        ?        69.90277 6.226298 ?              ?        
1 1 1 8   31 28 o 33.99266 10.71088 70.06000       39.79525 0.000000       0.000000 70.06000       39.79525 ?        ?        33.99266 10.71088 ?              ?        
1 1 1 8   31 29 o 29.70545 10.49470 50.90000       38.05201 0.000000       0.000000 50.90000       38.05201 ?        ?        29.70545 10.49470 ?              ?        
1 1 1 8   31 30 o 37.50454 8.944434 81.72958       32.37271 0.000000       0.000000 81.72958       32.37271 ?        ?        37.50454 8.944434 ?              ?        
1 1 1 8   31 31 f 53.49816 12.02297 183.9000       61.42129 0.000000       0.000000 183.9000       61.42129 ?        ?        53.49816 12.02297 ?              ?        
1 1 1 8   31 32 o 28.86250 9.343638 48.87230       30.12556 0.000000       0.000000 48.87230       30.12556 ?        ?        28.86250 9.343638 ?              ?        
1 1 1 8   31 33 o 47.91685 7.202832 126.3719       32.73867 0.000000       0.000000 126.3719       32.73867 ?        ?        47.91685 7.202832 ?              ?        
1 1 1 8   31 34 o 16.99829 7.672654 -6.573994      27.10302 0.000000       0.000000 -6.573994      27.10302 ?        ?        16.99829 7.672654 ?              ?        
1 1 1 8   31 35 o 15.93950 7.396276 -15.50566      27.61185 0.000000       0.000000 -15.50566      27.61185 ?        ?        15.93950 7.396276 ?              ?        
1 1 1 8   31 36 o 22.11881 8.882337 21.38074       29.35580 0.000000       0.000000 21.38074       29.35580 ?        ?        22.11881 8.882337 ?              ?        
1 1 1 8   31 37 o 43.47776 7.938091 108.5672       32.53790 0.000000       0.000000 108.5672       32.53790 ?        ?        43.47776 7.938091 ?              ?        
1 1 1 8   31 38 o 22.14964 8.817962 22.31921       28.67816 0.000000       0.000000 22.31921       28.67816 ?        ?        22.14964 8.817962 ?              ?        
1 1 1 8   31 39 o 29.52611 10.09172 54.64000       35.04212 0.000000       0.000000 54.64000       35.04212 ?        ?        29.52611 10.09172 ?              ?        
1 1 1 8   31 40 o 35.56996 8.796368 76.44644       30.45296 0.000000       0.000000 76.44644       30.45296 ?        ?        35.56996 8.796368 ?              ?        
1 1 1 8   31 41 o 34.47984 12.73535 87.37000       56.81884 0.000000       0.000000 87.37000       56.81884 ?        ?        34.47984 12.73535 ?              ?        
1 1 1 8   31 42 o 30.01206 10.37203 58.24000       37.04663 0.000000       0.000000 58.24000       37.04663 ?        ?        30.01206 10.37203 ?              ?        
1 1 1 8   31 43 o 43.12783 9.440469 115.1000       38.74438 0.000000       0.000000 115.1000       38.74438 ?        ?        43.12783 9.440469 ?              ?        
1 1 1 8   31 44 o 66.26736 7.550676 250.9000       48.10424 0.000000       0.000000 250.9000       48.10424 ?        ?        66.26736 7.550676 ?              ?        
1 1 1 8   31 45 o 40.90699 9.504831 106.2000       37.33055 0.000000       0.000000 106.2000       37.33055 ?        ?        40.90699 9.504831 ?              ?        
1 1 1 8   31 46 o 27.86937 9.813771 50.90000       33.25348 0.000000       0.000000 50.90000       33.25348 ?        ?        27.86937 9.813771 ?              ?        
1 1 1 8   32 0  o 102.3954 3.734740 519.9109       37.36964 0.000000       0.000000 519.9109       37.36964 ?        ?        102.3954 3.734740 ?              ?        
1 1 1 8   32 1  o 35.53024 5.913444 65.16546       19.84323 0.000000       0.000000 65.16546       19.84323 ?        ?        35.53024 5.913444 ?              ?        
1 1 1 8   32 2  o 41.27787 4.980127 86.30347       19.71550 48.80000       48.77780 93.62682       21.55465 31.89250 11.79621 42.94299 5.236067 -11.05049      12.90608 
1 1 1 8   32 3  o 103.6457 4.031153 533.8694       40.81858 538.7000       74.67309 531.8109       48.74594 102.2238 7.515404 103.0989 4.843889 -0.8751144     8.941172 
1 1 1 8   32 4  o 88.68350 4.086519 391.2753       35.37803 434.8000       67.07478 374.5002       41.64123 91.76068 7.534159 86.43265 4.942582 5.328033       9.010697 
1 1 1 8   32 5  o 59.89838 3.951060 178.7378       23.03576 71.28000       52.66486 204.1607       25.61620 36.24984 12.37216 63.98803 4.111631 -27.73819      13.03748 
1 1 1 8   32 6  o 103.2573 3.380645 527.6727       34.12250 586.8000       76.37335 512.9262       38.14100 106.7408 7.354755 101.6388 3.840681 5.101952       8.297183 
1 1 1 8   32 7  o 66.39455 3.765546 219.1787       24.37152 170.9000       55.20375 230.8666       27.16187 55.69764 10.51097 68.05070 4.096723 -12.35306      11.28112 
1 1 1 8   32 8  o 37.99130 5.521347 73.96751       19.93159 76.78000       49.09146 73.41238       21.81012 37.12236 11.91956 37.65784 6.127392 -0.5354767     13.40227 
1 1 1 8   32 9  o 33.18367 6.328605 57.54652       19.80604 88.41000       47.73252 51.12744       21.76848 39.52448 11.58917 30.98799 7.298032 8.536495       13.69562 
1 1 1 8   32 10 o 60.01954 3.917053 179.5589       22.88648 175.7000       52.18734 180.4778       25.46594 56.85638 9.726732 60.04370 4.362735 -3.187328      10.66034 
1 1 1 8   32 11 o 91.10399 3.352831 411.1278       29.84790 503.3000       67.07871 388.3725       33.32927 98.91625 6.972725 88.37013 3.862463 10.54612       7.971042 
1 1 1 8   32 12 o 35.48397 5.702248 65.03312       19.13461 130.6000       46.91560 51.95029       20.95685 48.49615 10.20688 31.25882 7.021307 17.23733       12.38867 
1 1 1 8   32 13 f 25.68632 7.160070 35.02541       18.67363 60.52000       37.65229 26.70907       21.50469 33.17022 10.41394 23.24410 7.906432 9.926111       13.07524 
1 1 1 8   32 14 o 33.82370 5.575925 59.16855       17.81783 62.46000       37.23782 58.19121       20.29147 33.58085 10.32674 33.25581 6.466537 0.3250389      12.18432 
1 1 1 8   32 15 o 28.43403 6.234165 42.68004       16.87170 22.84000       33.79558 49.26621       19.47175 24.51694 9.631206 30.45800 6.712504 -5.941069      11.73958 
1 1 1 8   32 16 o 66.76768 4.867818 225.0496       31.59461 0.000000       0.000000 225.0496       31.59461 ?        ?        66.76768 4.867818 ?              ?        
1 1 1 8   32 17 o 125.8297 3.458311 786.4853       42.55410 942.7000       88.82037 739.9450       48.48041 135.0434 6.740747 121.6985 4.075565 13.34490       7.877049 
1 1 1 8   32 18 o 16.92381 7.251302 1.473108       21.44614 -3.743000      30.61825 6.496939       30.04862 19.04816 8.403516 20.49657 8.675501 -1.448406      12.07822 
1 1 1 8   32 19 o 21.86636 5.902020 25.30969       12.92381 30.09000       26.72513 23.85059       14.76503 24.64521 8.786303 21.35252 6.490422 3.292692       10.92358 
1 1 1 8   32 20 o 78.88416 3.130501 309.1923       24.12385 308.9000       43.40654 309.3229       29.01806 77.47840 5.764901 78.63110 3.781312 -1.152702      6.894375 
1 1 1 8   32 21 o 23.12839 5.248583 28.25402       11.60886 65.45000       22.78993 15.22089       13.49023 34.83570 6.927573 17.89656 6.254592 16.93914       9.333338 
1 1 1 8   32 22 o 50.52322 7.907341 139.5121       37.82312 0.000000       0.000000 139.5121       37.82312 ?        ?        50.52322 7.907341 ?              ?        
1 1 1 8   32 23 o 35.80009 9.817506 75.09901       35.42786 0.000000       0.000000 75.09901       35.42786 ?        ?        35.80009 9.817506 ?              ?        
1 1 1 8   32 24 o 72.48556 7.866199 286.1000       54.91767 0.000000       0.000000 286.1000       54.91767 ?        ?        72.48556 7.866199 ?              ?        
1 1 1 8   32 25 o 70.33548 11.17603 297.8000       74.37187 0.000000       0.000000 297.8000       74.37187 ?        ?        70.33548 11.17603 ?              ?        
1 1 1 8   32 26 o 53.63902 7.489350 157.0080       38.25107 0.000000       0.000000 157.0080       38.25107 ?        ?        53.63902 7.489350 ?              ?        
1 1 1 8   32 27 o 37.38937 10.59455 85.67000       40.53537 0.000000       0.000000 85.67000       40.53537 ?        ?        37.38937 10.59455 ?              ?        
1 1 1 8   32 28 o 24.99116 9.346231 31.87525       30.78160 0.000000       0.000000 31.87525       30.78160 ?        ?        24.99116 9.346231 ?              ?        
1 1 1 8   32 29 o 40.17564 13.26416 112.3000       60.57151 0.000000       0.000000 112.3000       60.57151 ?        ?        40.17564 13.26416 ?              ?        
1 1 1 8   32 30 f 41.57075 8.579644 99.60991       33.75303 0.000000       0.000000 99.60991       33.75303 ?        ?        41.57075 8.579644 ?              ?        
1 1 1 8   32 31 o 33.09085 9.090788 65.24609       30.34609 0.000000       0.000000 65.24609       30.34609 ?        ?        33.09085 9.090788 ?              ?        
1 1 1 8   32 32 o 37.84398 8.459081 83.37675       30.54599 0.000000       0.000000 83.37675       30.54599 ?        ?        37.84398 8.459081 ?              ?        
1 1 1 8   32 33 o 17.91647 7.939927 -0.9109991     27.63200 0.000000       0.000000 -0.9109991     27.63200 ?        ?        17.91647 7.939927 ?              ?        
1 1 1 8   32 34 o 69.78224 5.783092 258.6761       39.14687 0.000000       0.000000 258.6761       39.14687 ?        ?        69.78224 5.783092 ?              ?        
1 1 1 8   32 35 o 37.61976 8.755857 84.72339       31.63523 0.000000       0.000000 84.72339       31.63523 ?        ?        37.61976 8.755857 ?              ?        
1 1 1 8   32 36 o 43.23108 7.977908 107.6218       32.51574 0.000000       0.000000 107.6218       32.51574 ?        ?        43.23108 7.977908 ?              ?        
1 1 1 8   32 37 o 21.39991 8.683904 19.12337       28.38525 0.000000       0.000000 19.12337       28.38525 ?        ?        21.39991 8.683904 ?              ?        
1 1 1 8   32 38 o 27.84453 10.08888 47.48000       35.39903 0.000000       0.000000 47.48000       35.39903 ?        ?        27.84453 10.08888 ?              ?        
1 1 1 8   32 39 o 46.79133 7.539721 124.5572       33.35910 0.000000       0.000000 124.5572       33.35910 ?        ?        46.79133 7.539721 ?              ?        
1 1 1 8   32 40 f 35.04099 12.79044 91.62000       57.04100 0.000000       0.000000 91.62000       57.04100 ?        ?        35.04099 12.79044 ?              ?        
1 1 1 8   32 41 o 26.67237 9.979074 42.81000       35.09861 0.000000       0.000000 42.81000       35.09861 ?        ?        26.67237 9.979074 ?              ?        
1 1 1 8   32 42 o 19.63214 8.639869 4.902000       32.17891 0.000000       0.000000 4.902000       32.17891 ?        ?        19.63214 8.639869 ?              ?        
1 1 1 8   32 43 o 23.04597 9.390684 25.67000       33.35649 0.000000       0.000000 25.67000       33.35649 ?        ?        23.04597 9.390684 ?              ?        
1 1 1 8   32 44 o 21.79832 9.110662 20.06000       32.48551 0.000000       0.000000 20.06000       32.48551 ?        ?        21.79832 9.110662 ?              ?        
1 1 1 8   32 45 o 17.83308 8.114182 -4.128000      31.05378 0.000000       0.000000 -4.128000      31.05378 ?        ?        17.83308 8.114182 ?              ?        
1 1 1 8   33 0  o 65.39851 3.616324 212.5481       23.05936 230.0000       54.71888 208.7795       25.42747 65.77287 8.713468 64.69421 4.035522 1.078659       9.602602 
1 1 1 8   33 1  o 85.69329 3.771400 364.9397       31.55663 0.000000       0.000000 364.9397       31.55663 ?        ?        85.69329 3.771400 ?              ?        
1 1 1 8   33 2  o 79.96514 3.862844 318.1217       30.14585 0.000000       0.000000 318.1217       30.14585 ?        ?        79.96514 3.862844 ?              ?        
1 1 1 8   33 3  o 85.06043 3.415039 358.6403       28.37565 341.4000       62.58533 363.1013       31.83583 80.72886 8.026434 85.45506 3.815653 -4.726196      8.887230 
1 1 1 8   33 4  o 107.6763 4.068442 577.3641       42.80285 565.3000       76.13055 582.9401       51.75796 104.4267 7.497931 107.7700 4.919490 -3.343239      8.967739 
1 1 1 8   33 5  o 50.50875 5.412412 129.7881       26.34183 134.5000       50.36814 128.0141       30.90526 48.91152 10.80875 49.75018 6.501897 -0.8386536     12.61363 
1 1 1 8   33 6  o 36.87847 5.646510 70.09537       19.73480 88.29000       48.17805 66.42696       21.63298 39.28341 11.67580 35.62361 6.441031 3.659805       13.33459 
1 1 1 8   33 7  o 52.78331 4.287847 139.7683       21.96285 136.9000       51.10437 140.4181       24.32369 49.22694 10.89441 52.75825 4.761315 -3.531307      11.88942 
1 1 1 8   33 8  o 32.57928 7.806839 57.24390       24.56984 22.14000       48.11672 69.62537       28.57620 27.14948 11.19447 35.81094 8.312701 -8.661455      13.94336 
1 1 1 8   33 9  o 27.01442 7.212477 38.98351       19.42915 69.88000       46.63081 32.49294       21.37273 35.33862 11.63678 24.95399 7.847638 10.38463       14.03568 
1 1 1 8   33 10 o 23.13885 7.378378 27.54298       18.83534 36.34000       45.71540 25.74431       20.67142 28.92372 11.24821 22.80346 7.751812 6.120268       13.66063 
1 1 1 8   33 11 o 85.02499 3.783419 360.0081       31.40857 450.4000       64.72377 332.1653       35.92163 93.13754 7.154364 81.36062 4.528480 11.77692       8.467115 
1 1 1 8   33 12 o 57.08750 4.380712 163.8381       24.29186 167.2000       51.22033 162.8625       27.59236 54.90611 9.894382 56.68180 5.025257 -1.775688      11.09739 
1 1 1 8   33 13 o 44.66932 4.567419 101.0145       19.68958 85.20000       39.10100 106.3869       22.78986 38.70712 10.18458 45.63745 5.194004 -6.930336      11.43256 
1 1 1 8   33 14 o 38.03247 6.027672 75.51122       21.69196 98.97000       37.15717 63.38271       26.71736 42.12019 9.264833 34.00297 8.136292 8.117226       12.33030 
1 1 1 8   33 15 o 64.93255 4.088746 211.5563       25.85522 188.5000       43.36451 224.2734       32.20575 59.50863 7.619292 66.47152 4.986184 -6.962887      9.105803 
1 1 1 8   33 16 o 19.37472 7.199564 16.22938       18.20831 0.000000       0.000000 16.22938       18.20831 ?        ?        19.37472 7.199564 ?              ?        
1 1 1 8   33 17 o 42.06689 5.045362 90.85327       20.36089 0.000000       0.000000 90.85327       20.36089 ?        ?        42.06689 5.045362 ?              ?        
1 1 1 8   33 18 o 24.73126 9.540679 27.28661       32.69110 0.000000       0.000000 27.28661       32.69110 ?        ?        24.73126 9.540679 ?              ?        
1 1 1 8   33 19 o 39.17889 4.003943 77.75916       15.13921 70.33000       28.58641 80.65502       17.84756 35.37801 8.384071 39.66727 4.687061 -4.289261      9.605269 
1 1 1 8   33 20 o 35.05589 4.236958 62.71906       14.24396 60.15000       26.58715 63.75328       16.86915 32.66500 8.299858 35.05111 5.063413 -2.386116      9.722438 
1 1 1 8   33 21 f 71.09415 3.037440 251.6298       21.08850 216.0000       36.06147 270.1473       25.99724 64.43919 5.778534 73.40526 3.629466 -8.966064      6.823817 
1 1 1 8   33 22 o 29.26515 9.902577 48.86108       33.73025 0.000000       0.000000 48.86108       33.73025 ?        ?        29.26515 9.902577 ?              ?        
1 1 1 8   33 23 o 79.49718 6.082506 331.4274       46.97100 0.000000       0.000000 331.4274       46.97100 ?        ?        79.49718 6.082506 ?              ?        
1 1 1 8   33 24 o 69.27649 6.349321 253.8668       42.57626 0.000000       0.000000 253.8668       42.57626 ?        ?        69.27649 6.349321 ?              ?        
1 1 1 8   33 25 o 32.22299 9.834650 61.87662       33.85450 0.000000       0.000000 61.87662       33.85450 ?        ?        32.22299 9.834650 ?              ?        
1 1 1 8   33 26 o 63.14805 8.230043 222.8000       49.66153 0.000000       0.000000 222.8000       49.66153 ?        ?        63.14805 8.230043 ?              ?        
1 1 1 8   33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   33 28 o 49.77216 12.82692 167.5000       62.88210 0.000000       0.000000 167.5000       62.88210 ?        ?        49.77216 12.82692 ?              ?        
1 1 1 8   33 29 o 81.57611 5.523127 348.3557       43.84158 0.000000       0.000000 348.3557       43.84158 ?        ?        81.57611 5.523127 ?              ?        
1 1 1 8   33 30 o 35.17907 9.025576 73.80554       31.22927 0.000000       0.000000 73.80554       31.22927 ?        ?        35.17907 9.025576 ?              ?        
1 1 1 8   33 31 o 22.81728 8.932307 24.70775       28.98288 0.000000       0.000000 24.70775       28.98288 ?        ?        22.81728 8.932307 ?              ?        
1 1 1 8   33 32 o 20.12409 8.496933 11.41315       28.70811 0.000000       0.000000 11.41315       28.70811 ?        ?        20.12409 8.496933 ?              ?        
1 1 1 8   33 33 o 24.41123 9.118389 32.60720       29.28132 0.000000       0.000000 32.60720       29.28132 ?        ?        24.41123 9.118389 ?              ?        
1 1 1 8   33 34 o 36.91542 8.841293 82.08580       31.52536 0.000000       0.000000 82.08580       31.52536 ?        ?        36.91542 8.841293 ?              ?        
1 1 1 8   33 35 o 28.37464 9.356249 49.18944       30.14104 0.000000       0.000000 49.18944       30.14104 ?        ?        28.37464 9.356249 ?              ?        
1 1 1 8   33 36 o 20.96704 8.593197 17.26942       28.13164 0.000000       0.000000 17.26942       28.13164 ?        ?        20.96704 8.593197 ?              ?        
1 1 1 8   33 37 o 31.29037 10.25715 63.40000       36.24561 0.000000       0.000000 63.40000       36.24561 ?        ?        31.29037 10.25715 ?              ?        
1 1 1 8   33 38 o 48.90602 7.432467 135.7342       34.46127 0.000000       0.000000 135.7342       34.46127 ?        ?        48.90602 7.432467 ?              ?        
1 1 1 8   33 39 o 25.72184 10.08792 37.33000       37.02462 0.000000       0.000000 37.33000       37.02462 ?        ?        25.72184 10.08792 ?              ?        
1 1 1 8   33 40 o 29.16903 10.27684 54.96000       36.46921 0.000000       0.000000 54.96000       36.46921 ?        ?        29.16903 10.27684 ?              ?        
1 1 1 8   33 41 o 27.72099 10.14341 48.49000       35.90723 0.000000       0.000000 48.49000       35.90723 ?        ?        27.72099 10.14341 ?              ?        
1 1 1 8   33 42 o 15.30347 7.300694 -27.10000      30.43772 0.000000       0.000000 -27.10000      30.43772 ?        ?        15.30347 7.300694 ?              ?        
1 1 1 8   33 43 o 25.78211 9.651948 41.22000       32.84558 0.000000       0.000000 41.22000       32.84558 ?        ?        25.78211 9.651948 ?              ?        
1 1 1 8   33 44 o 30.57519 9.983127 63.38000       34.35041 0.000000       0.000000 63.38000       34.35041 ?        ?        30.57519 9.983127 ?              ?        
1 1 1 8   34 0  o 64.46871 3.683707 207.0702       23.14882 219.3000       55.99952 204.5497       25.42259 63.54010 9.277431 63.94528 4.083004 -0.4051857     10.13616 
1 1 1 8   34 1  o 84.09943 3.411590 351.1133       28.02552 357.8000       64.35718 349.5485       31.13241 82.29022 8.094584 83.76678 3.806899 -1.476555      8.945097 
1 1 1 8   34 2  f 38.90817 5.784367 78.27142       21.36025 0.000000       0.000000 78.27142       21.36025 ?        ?        38.90817 5.784367 ?              ?        
1 1 1 8   34 3  o 36.47693 6.166462 69.46108       21.23322 0.000000       0.000000 69.46108       21.23322 ?        ?        36.47693 6.166462 ?              ?        
1 1 1 8   34 4  o 29.01933 6.743027 44.88607       18.78748 24.36000       47.50051 48.69260       20.45548 27.23722 11.16497 30.15848 7.055513 -2.921263      13.20746 
1 1 1 8   34 5  o 33.28102 7.500766 59.64699       23.84799 32.50000       46.95299 69.08500       27.68487 28.37569 11.28744 35.64376 8.117375 -7.268068      13.90317 
1 1 1 8   34 6  o 58.12169 4.842339 170.8471       27.29856 179.6000       51.54651 167.4353       32.18208 57.12027 9.556738 57.12260 5.837718 -0.2330780E-02 11.19867 
1 1 1 8   34 7  o 64.24147 4.602393 207.9827       28.74871 198.4000       53.36217 211.9015       34.12441 60.14798 9.368759 64.47423 5.458449 -4.326248      10.84289 
1 1 1 8   34 8  o 43.59855 5.083580 97.09411       21.28784 129.0000       50.47939 90.19249       23.47762 47.16025 11.11792 41.69468 5.918755 5.465576       12.59523 
1 1 1 8   34 9  o 53.93698 4.334059 146.5784       22.68921 199.0000       53.54084 135.1036       25.04969 60.04814 9.418736 51.51247 5.032125 8.535667       10.67871 
1 1 1 8   34 10 o 35.85940 6.445781 67.96036       21.79316 62.99000       47.11031 69.31359       24.58149 33.48158 11.68908 35.90428 7.244606 -2.422699      13.75205 
1 1 1 8   34 11 o 23.68886 7.450115 29.56862       19.26208 50.67000       44.41228 24.67973       21.37732 30.88701 11.28423 22.43539 7.871082 8.451618       13.75819 
1 1 1 8   34 12 o 24.19836 7.221110 31.31315       18.39933 88.72000       36.96815 12.41024       21.21340 39.44127 9.654926 19.14842 7.596678 20.29285       12.28524 
1 1 1 8   34 13 o 57.01444 4.646728 164.9456       25.70746 198.5000       43.71568 147.2080       31.78403 60.96274 7.482749 53.09560 6.234301 7.867134       9.739509 
1 1 1 8   34 14 o 46.54778 4.554636 110.2112       20.48667 65.67000       38.89037 127.3185       24.10192 33.57924 10.58945 49.87163 5.004904 -16.29239      11.71262 
1 1 1 8   34 15 o 47.01485 4.340151 112.1738       19.74780 118.7000       38.17165 109.7887       23.07582 46.03885 8.791048 46.15788 5.197716 -0.1190262     10.21268 
1 1 1 8   34 16 o 66.10923 4.180338 220.7462       26.91225 0.000000       0.000000 220.7462       26.91225 ?        ?        66.10923 4.180338 ?              ?        
1 1 1 8   34 17 o 38.54411 5.576326 77.76436       20.42776 0.000000       0.000000 77.76436       20.42776 ?        ?        38.54411 5.576326 ?              ?        
1 1 1 8   34 18 o 37.68338 6.119193 75.39576       21.79740 94.62000       29.10600 50.84431       32.89248 41.60958 7.418427 29.78804 9.771546 11.82154       12.26850 
1 1 1 8   34 19 o 50.93249 3.482913 130.2059       17.25926 123.3000       30.11091 133.5850       21.06270 48.07676 6.570290 51.29187 4.232911 -3.215118      7.815769 
1 1 1 8   34 20 o 36.17326 3.884786 66.46630       13.53973 102.5000       24.34753 50.33393       16.29107 44.15417 5.771507 30.80304 5.609798 13.35114       8.048611 
1 1 1 8   34 21 o 18.46740 5.333133 18.00672       10.17725 0.000000       0.000000 18.00672       10.17725 ?        ?        18.46740 5.333133 ?              ?        
1 1 1 8   34 22 o 34.84750 9.836179 72.83951       35.00892 0.000000       0.000000 72.83951       35.00892 ?        ?        34.84750 9.836179 ?              ?        
1 1 1 8   34 23 o 44.24645 8.346967 110.9126       34.82524 0.000000       0.000000 110.9126       34.82524 ?        ?        44.24645 8.346967 ?              ?        
1 1 1 8   34 24 o 27.93534 10.40326 43.39000       38.05804 0.000000       0.000000 43.39000       38.05804 ?        ?        27.93534 10.40326 ?              ?        
1 1 1 8   34 25 o 19.25779 8.513021 -0.1324705     31.57191 0.000000       0.000000 -0.1324705     31.57191 ?        ?        19.25779 8.513021 ?              ?        
1 1 1 8   34 26 o 62.25889 6.616004 208.7661       39.70179 0.000000       0.000000 208.7661       39.70179 ?        ?        62.25889 6.616004 ?              ?        
1 1 1 8   34 27 f 42.79860 13.33033 131.6000       61.82130 0.000000       0.000000 131.6000       61.82130 ?        ?        42.79860 13.33033 ?              ?        
1 1 1 8   34 28 f 25.44182 9.859014 33.63000       35.02494 0.000000       0.000000 33.63000       35.02494 ?        ?        25.44182 9.859014 ?              ?        
1 1 1 8   34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   34 30 o 33.64327 9.427462 69.96997       32.28225 0.000000       0.000000 69.96997       32.28225 ?        ?        33.64327 9.427462 ?              ?        
1 1 1 8   34 31 o 33.23336 9.238750 68.00340       31.13573 0.000000       0.000000 68.00340       31.13573 ?        ?        33.23336 9.238750 ?              ?        
1 1 1 8   34 32 o 34.12507 9.104465 71.43298       30.97315 0.000000       0.000000 71.43298       30.97315 ?        ?        34.12507 9.104465 ?              ?        
1 1 1 8   34 33 o 22.74127 8.904629 25.37093       28.80915 0.000000       0.000000 25.37093       28.80915 ?        ?        22.74127 8.904629 ?              ?        
1 1 1 8   34 34 o 16.62529 7.588336 -8.507097      27.43100 0.000000       0.000000 -8.507097      27.43100 ?        ?        16.62529 7.588336 ?              ?        
1 1 1 8   34 35 o 34.41710 10.16512 76.89000       36.61076 0.000000       0.000000 76.89000       36.61076 ?        ?        34.41710 10.16512 ?              ?        
1 1 1 8   34 36 f 25.72062 9.320194 38.89971       30.21123 0.000000       0.000000 38.89971       30.21123 ?        ?        25.72062 9.320194 ?              ?        
1 1 1 8   34 37 o 55.79326 12.03629 214.1000       63.79960 0.000000       0.000000 214.1000       63.79960 ?        ?        55.79326 12.03629 ?              ?        
1 1 1 8   34 38 o 27.22918 10.26844 45.81000       37.32220 0.000000       0.000000 45.81000       37.32220 ?        ?        27.22918 10.26844 ?              ?        
1 1 1 8   34 39 o 32.00393 10.19825 67.48000       35.98837 0.000000       0.000000 67.48000       35.98837 ?        ?        32.00393 10.19825 ?              ?        
1 1 1 8   34 40 o 26.36130 9.846499 42.76000       34.14376 0.000000       0.000000 42.76000       34.14376 ?        ?        26.36130 9.846499 ?              ?        
1 1 1 8   34 41 o 36.38239 9.844637 87.03000       35.90364 0.000000       0.000000 87.03000       35.90364 ?        ?        36.38239 9.844637 ?              ?        
1 1 1 8   34 42 o 23.72511 9.386856 31.83000       32.30740 0.000000       0.000000 31.83000       32.30740 ?        ?        23.72511 9.386856 ?              ?        
1 1 1 8   34 43 o 33.77332 9.954888 77.85000       35.14140 0.000000       0.000000 77.85000       35.14140 ?        ?        33.77332 9.954888 ?              ?        
1 1 1 8   35 0  o 35.21154 5.596832 64.52055       18.64523 82.19000       48.98403 61.52673       20.16302 37.21161 11.90231 34.12325 6.267587 3.088352       13.45167 
1 1 1 8   35 1  o 41.77177 4.816504 89.04998       19.33325 144.4000       50.78737 79.66995       20.90735 49.99141 10.70190 39.19743 5.608920 10.79399       12.08266 
1 1 1 8   35 2  o 64.97179 3.756511 211.1227       23.78811 272.7000       57.36393 198.3343       26.14182 71.03275 8.413556 62.76583 4.280686 8.266911       9.439926 
1 1 1 8   35 3  o 78.64822 3.957028 309.7983       30.36454 0.000000       0.000000 309.7983       30.36454 ?        ?        78.64822 3.957028 ?              ?        
1 1 1 8   35 4  o 37.45274 7.948367 76.78812       28.23573 0.000000       0.000000 76.78812       28.23573 ?        ?        37.45274 7.948367 ?              ?        
1 1 1 8   35 5  f 45.91561 4.695982 107.2979       20.80844 112.9000       48.45108 106.0310       23.04165 43.57703 11.27411 45.41452 5.281808 -1.837494      12.45002 
1 1 1 8   35 6  o 59.73721 4.817041 181.3524       27.92775 225.7000       52.84543 164.1667       32.89698 64.26708 8.617636 56.21026 6.075511 8.056824       10.54398 
1 1 1 8   35 7  o 71.91100 4.442235 261.1260       31.11558 263.2000       57.31842 260.2595       37.05000 69.37563 8.626558 71.30376 5.347427 -1.928131      10.14951 
1 1 1 8   35 8  o 27.91182 7.493904 42.68528       20.90273 -8.395000      45.95281 56.01167       23.47155 22.25143 10.02197 31.92647 7.617432 -9.675035      12.58829 
1 1 1 8   35 9  o 55.82294 4.618010 158.3208       25.00772 126.5000       49.61842 169.1562       28.95407 46.00166 11.13942 57.43389 5.206850 -11.43223      12.29626 
1 1 1 8   35 10 o 76.78823 3.620031 295.0060       27.13243 311.4000       57.21215 290.2491       30.81850 76.00183 7.801180 75.89928 4.164232 0.1025543      8.843034 
1 1 1 8   35 11 o 63.58996 4.696831 205.8304       29.02844 252.2000       51.57915 184.3351       35.11800 68.18671 7.872404 59.36399 6.131812 8.822720       9.978670 
1 1 1 8   35 12 o 83.18317 4.087627 348.7534       33.18034 391.2000       56.12442 325.9468       41.13961 86.05289 6.716320 79.62405 5.308815 6.428833       8.561102 
1 1 1 8   35 13 o 73.70000 4.392918 275.3231       31.54654 249.0000       49.05118 293.8910       41.19677 67.89186 7.506389 75.33636 5.627316 -7.444496      9.381501 
1 1 1 8   35 14 o 51.23010 4.959181 134.8957       24.55742 0.000000       0.000000 134.8957       24.55742 ?        ?        51.23010 4.959181 ?              ?        
1 1 1 8   35 15 o 64.26662 3.536312 207.1292       22.15976 151.6000       39.23039 233.1489       26.85428 52.49506 7.877677 67.94092 4.056560 -15.44586      8.860783 
1 1 1 8   35 16 o 35.71008 5.089215 66.39989       17.28604 32.82000       30.21657 82.73556       21.07531 25.25958 9.294665 39.70731 5.575895 -14.44773      10.83888 
1 1 1 8   35 17 o 42.19413 5.310541 92.83160       21.44823 0.000000       0.000000 92.83160       21.44823 ?        ?        42.19413 5.310541 ?              ?        
1 1 1 8   35 18 o 38.53532 5.757562 78.50948       21.05225 59.44000       26.94209 108.4074       33.73516 32.17765 8.448068 43.94503 8.142499 -11.76738      11.73329 
1 1 1 8   35 19 o 34.33297 4.416778 60.69581       14.49959 83.12000       25.73759 50.26997       17.54951 38.98270 7.002480 30.53671 6.085069 8.445990       9.277003 
1 1 1 8   35 20 o 17.63998 6.254644 14.90394       13.52599 0.000000       0.000000 14.90394       13.52599 ?        ?        17.63998 6.254644 ?              ?        
1 1 1 8   35 21 o 23.24838 4.734268 28.51480       10.40689 0.000000       0.000000 28.51480       10.40689 ?        ?        23.24838 4.734268 ?              ?        
1 1 1 8   35 22 o 32.21589 9.605508 62.36533       32.56697 0.000000       0.000000 62.36533       32.56697 ?        ?        32.21589 9.605508 ?              ?        
1 1 1 8   35 23 o 22.60066 9.547454 15.62000       36.27563 0.000000       0.000000 15.62000       36.27563 ?        ?        22.60066 9.547454 ?              ?        
1 1 1 8   35 24 o 37.88356 8.821026 84.44467       32.09668 0.000000       0.000000 84.44467       32.09668 ?        ?        37.88356 8.821026 ?              ?        
1 1 1 8   35 25 o 43.24969 13.20792 134.0000       61.04961 0.000000       0.000000 134.0000       61.04961 ?        ?        43.24969 13.20792 ?              ?        
1 1 1 8   35 26 o 51.79132 7.283671 148.8272       35.90561 0.000000       0.000000 148.8272       35.90561 ?        ?        51.79132 7.283671 ?              ?        
1 1 1 8   35 27 o 25.89049 9.478436 38.06264       31.35970 0.000000       0.000000 38.06264       31.35970 ?        ?        25.89049 9.478436 ?              ?        
1 1 1 8   35 28 o 33.39606 9.490008 69.33992       32.47728 0.000000       0.000000 69.33992       32.47728 ?        ?        33.39606 9.490008 ?              ?        
1 1 1 8   35 29 o 19.42102 8.458226 5.656610       30.13562 0.000000       0.000000 5.656610       30.13562 ?        ?        19.42102 8.458226 ?              ?        
1 1 1 8   35 30 o 20.83653 9.167139 6.746000       36.20107 0.000000       0.000000 6.746000       36.20107 ?        ?        20.83653 9.167139 ?              ?        
1 1 1 8   35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   35 32 o 16.56213 7.616038 -10.95072      28.32994 0.000000       0.000000 -10.95072      28.32994 ?        ?        16.56213 7.616038 ?              ?        
1 1 1 8   35 33 o 30.36063 9.338462 57.60579       30.44949 0.000000       0.000000 57.60579       30.44949 ?        ?        30.36063 9.338462 ?              ?        
1 1 1 8   35 34 o 33.65187 10.45223 74.99000       38.03708 0.000000       0.000000 74.99000       38.03708 ?        ?        33.65187 10.45223 ?              ?        
1 1 1 8   35 35 o 24.10892 9.217242 31.92482       30.32380 0.000000       0.000000 31.92482       30.32380 ?        ?        24.10892 9.217242 ?              ?        
1 1 1 8   35 36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   35 37 o 31.37753 10.44451 65.85000       37.53590 0.000000       0.000000 65.85000       37.53590 ?        ?        31.37753 10.44451 ?              ?        
1 1 1 8   35 38 f 23.30866 9.430433 27.13000       33.36198 0.000000       0.000000 27.13000       33.36198 ?        ?        23.30866 9.430433 ?              ?        
1 1 1 8   35 39 o 26.30868 9.854580 43.06000       34.24908 0.000000       0.000000 43.06000       34.24908 ?        ?        26.30868 9.854580 ?              ?        
1 1 1 8   35 40 o 16.95301 7.818632 -9.632000      30.16689 0.000000       0.000000 -9.632000      30.16689 ?        ?        16.95301 7.818632 ?              ?        
1 1 1 8   35 41 o 36.28521 9.726317 87.91000       35.24627 0.000000       0.000000 87.91000       35.24627 ?        ?        36.28521 9.726317 ?              ?        
1 1 1 8   36 0  o 82.39103 3.481542 339.2199       28.01417 331.9000       63.37551 340.9975       31.23103 77.72235 8.467205 82.40082 3.883040 -4.678467      9.315125 
1 1 1 8   36 1  o 14.69805 6.415737 -1.379962      17.42239 15.96000       46.05575 -4.275753      18.82103 25.03469 10.67374 14.71582 6.535480 10.31887       12.51564 
1 1 1 8   36 2  o 54.31159 4.176459 149.2110       22.03237 158.6000       51.14867 147.0721       24.41340 52.00057 10.41238 53.69249 4.692348 -1.691917      11.42085 
1 1 1 8   36 3  o 24.37830 7.268885 32.27494       18.64948 -43.36000      44.96893 47.98567       20.49508 18.64205 8.887974 29.56560 7.159120 -10.92355      11.41267 
1 1 1 8   36 4  o 42.29940 5.618163 93.42754       22.68669 0.000000       0.000000 93.42754       22.68669 ?        ?        42.29940 5.618163 ?              ?        
1 1 1 8   36 5  o 37.82215 6.267719 76.15665       22.39201 0.000000       0.000000 76.15665       22.39201 ?        ?        37.82215 6.267719 ?              ?        
1 1 1 8   36 6  o 30.41772 6.915940 50.59126       20.12377 -0.9716000     44.56817 63.79589       22.55378 22.51494 10.02461 34.22074 6.970252 -11.70580      12.20972 
1 1 1 8   36 7  o 22.41643 8.362565 23.68173       24.61257 30.55000       44.32496 20.62000       29.59428 26.72748 10.84945 22.62996 8.974356 4.097525       14.08012 
1 1 1 8   36 8  o 21.06771 8.157198 18.64935       23.96187 29.07000       42.16869 13.68000       29.12009 26.16732 10.59678 21.16465 8.715872 5.002676       13.72072 
1 1 1 8   36 9  o 45.11596 4.923297 104.8492       21.38924 102.9000       45.09896 105.4149       24.29553 40.96552 11.01144 44.89240 5.654156 -3.926884      12.37826 
1 1 1 8   36 10 o 24.00031 8.391206 30.17616       24.28269 -4.800000      40.43848 49.90000       30.36718 21.07525 9.454265 29.46449 9.365588 -8.389238      13.30779 
1 1 1 8   36 11 f 65.74843 4.640268 220.6586       29.67126 215.8000       50.38725 223.2377       36.71133 62.15836 8.504377 65.39355 5.795279 -3.235184      10.29124 
1 1 1 8   36 12 o 53.18522 5.004148 145.8501       25.74506 0.000000       0.000000 145.8501       25.74506 ?        ?        53.18522 5.004148 ?              ?        
1 1 1 8   36 13 o 15.75445 6.600884 4.453791       17.11636 -27.21000      29.17801 21.06689       21.13487 15.38014 7.282570 21.04217 7.768064 -5.662024      10.64794 
1 1 1 8   36 14 o 34.06776 5.705256 61.60326       18.35291 87.14000       32.17948 49.29234       22.34301 38.93415 8.666846 29.59251 7.655943 9.341642       11.56407 
1 1 1 8   36 15 f 44.01583 4.593188 99.57894       19.49837 83.83000       34.46836 106.9903       23.64532 37.66602 9.383825 45.21469 5.452640 -7.548668      10.85299 
1 1 1 8   36 16 o 32.68640 5.526573 56.65730       17.05227 19.23000       28.08225 78.51827       21.46211 21.83310 8.714632 38.41211 5.896268 -16.57901      10.52192 
1 1 1 8   36 17 o 66.11829 4.239442 222.3720       27.29243 0.000000       0.000000 222.3720       27.29243 ?        ?        66.11829 4.239442 ?              ?        
1 1 1 8   36 18 o 44.12267 5.292369 101.8124       22.40136 106.6000       29.38235 95.16647       34.61829 44.13684 7.037237 40.34734 8.995236 3.789497       11.42090 
1 1 1 8   36 19 o 41.36391 3.982152 87.18405       15.92398 84.59000       29.38620 88.26242       18.94692 38.55770 8.046694 41.27174 4.778243 -2.714043      9.358466 
1 1 1 8   36 20 o 9.145674 4.306138 -9.992552      9.939310 0.000000       0.000000 -9.992552      9.939310 ?        ?        9.145674 4.306138 ?              ?        
1 1 1 8   36 21 f 22.72425 9.364511 19.56000       33.64588 0.000000       0.000000 19.56000       33.64588 ?        ?        22.72425 9.364511 ?              ?        
1 1 1 8   36 22 f 24.51924 9.703351 29.23000       34.53028 0.000000       0.000000 29.23000       34.53028 ?        ?        24.51924 9.703351 ?              ?        
1 1 1 8   36 23 f 50.50924 7.107290 140.8273       34.16782 0.000000       0.000000 140.8273       34.16782 ?        ?        50.50924 7.107290 ?              ?        
1 1 1 8   36 24 o 43.14950 13.20115 135.9000       60.95139 0.000000       0.000000 135.9000       60.95139 ?        ?        43.14950 13.20115 ?              ?        
1 1 1 8   36 25 o 36.94454 9.025553 82.57221       32.35480 0.000000       0.000000 82.57221       32.35480 ?        ?        36.94454 9.025553 ?              ?        
1 1 1 8   36 26 o 22.63253 9.065701 23.72833       30.49974 0.000000       0.000000 23.72833       30.49974 ?        ?        22.63253 9.065701 ?              ?        
1 1 1 8   36 27 o 57.29858 6.764282 181.2184       37.20730 0.000000       0.000000 181.2184       37.20730 ?        ?        57.29858 6.764282 ?              ?        
1 1 1 8   36 28 o 23.64835 9.285191 28.73264       31.39694 0.000000       0.000000 28.73264       31.39694 ?        ?        23.64835 9.285191 ?              ?        
1 1 1 8   36 29 o 52.74226 7.006039 155.1063       35.27534 0.000000       0.000000 155.1063       35.27534 ?        ?        52.74226 7.006039 ?              ?        
1 1 1 8   36 30 o 42.79708 7.991238 106.8364       32.24526 0.000000       0.000000 106.8364       32.24526 ?        ?        42.79708 7.991238 ?              ?        
1 1 1 8   36 31 o 30.37932 9.281488 57.71683       30.14311 0.000000       0.000000 57.71683       30.14311 ?        ?        30.37932 9.281488 ?              ?        
1 1 1 8   36 32 o 22.97078 8.987532 27.10134       29.32916 0.000000       0.000000 27.10134       29.32916 ?        ?        22.97078 8.987532 ?              ?        
1 1 1 8   36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   36 34 o 17.79681 8.272876 -14.69000      34.78287 0.000000       0.000000 -14.69000      34.78287 ?        ?        17.79681 8.272876 ?              ?        
1 1 1 8   36 35 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   36 36 o 20.43417 8.887156 9.907000       33.17279 0.000000       0.000000 9.907000       33.17279 ?        ?        20.43417 8.887156 ?              ?        
1 1 1 8   36 37 o 23.43107 9.423436 28.80000       33.09414 0.000000       0.000000 28.80000       33.09414 ?        ?        23.43107 9.423436 ?              ?        
1 1 1 8   36 38 o 26.68385 9.802304 45.60000       33.58439 0.000000       0.000000 45.60000       33.58439 ?        ?        26.68385 9.802304 ?              ?        
1 1 1 8   36 39 o 20.80685 8.854329 16.41000       31.58760 0.000000       0.000000 16.41000       31.58760 ?        ?        20.80685 8.854329 ?              ?        
1 1 1 8   36 40 o 29.95593 10.07022 62.07000       34.88235 0.000000       0.000000 62.07000       34.88235 ?        ?        29.95593 10.07022 ?              ?        
1 1 1 8   37 0  o 27.25438 6.800706 40.81966       18.08286 25.85000       43.42862 43.95934       19.88898 25.71134 10.62162 28.15791 7.191504 -2.446568      12.82718 
1 1 1 8   37 1  o 51.03598 4.299598 132.5802       21.27925 171.7000       48.30358 123.1601       23.70321 54.60243 9.375372 48.83352 5.030776 5.768909       10.63984 
1 1 1 8   37 2  o 58.56614 4.611533 175.2989       26.22301 177.4000       49.94242 174.4991       30.81210 55.34596 9.564698 57.92208 5.500574 -2.576122      11.03358 
1 1 1 8   37 3  o 28.93139 6.872043 46.05095       19.17039 24.91000       43.25522 51.21844       21.38534 25.52594 10.57785 30.36619 7.287759 -4.840250      12.84532 
1 1 1 8   37 4  o 41.86927 5.152898 91.11253       20.67308 85.42000       44.58930 92.67123       23.33233 36.92039 11.29024 41.89132 5.849476 -4.970924      12.71558 
1 1 1 8   37 5  o 43.61668 5.676043 99.99301       23.65858 0.000000       0.000000 99.99301       23.65858 ?        ?        43.61668 5.676043 ?              ?        
1 1 1 8   37 6  o 28.55512 8.337357 46.46003       24.74952 0.000000       0.000000 46.46003       24.74952 ?        ?        28.55512 8.337357 ?              ?        
1 1 1 8   37 7  f 23.75381 7.548967 30.80571       19.72998 38.41000       41.68573 28.61046       22.39753 27.42600 10.71944 23.28035 8.063777 4.145647       13.41383 
1 1 1 8   37 8  o 30.06238 7.886201 51.26412       23.49014 93.58000       42.79342 33.01518       28.10244 38.76759 10.85100 24.95300 8.996192 13.81459       14.09524 
1 1 1 8   37 9  o 38.92942 9.250346 89.02604       34.72525 81.34000       44.01272 101.7000       56.51748 35.90401 11.25737 38.86058 12.81182 -2.956570      17.05495 
1 1 1 8   37 10 o 26.72971 7.932696 40.31871       22.25239 0.000000       0.000000 40.31871       22.25239 ?        ?        26.72971 7.932696 ?              ?        
1 1 1 8   37 11 o 34.52324 6.103769 64.05098       19.87172 1.554000       36.70972 89.95489       23.63383 20.80882 9.189991 41.06835 6.061178 -20.25953      11.00881 
1 1 1 8   37 12 o 58.98970 3.879755 176.1285       22.27764 158.1000       39.22229 184.7145       27.06752 53.37507 7.732322 59.99330 4.645518 -6.618225      9.020513 
1 1 1 8   37 13 o 45.86898 4.493543 108.0439       19.91646 105.0000       34.43069 109.5745       24.41589 42.78838 8.520338 45.63245 5.582396 -2.844074      10.18623 
1 1 1 8   37 14 o 26.57357 6.907548 39.26828       18.13066 40.32000       29.51233 38.63071       22.97813 26.71046 9.256127 26.12566 8.125355 0.5848007      12.31655 
1 1 1 8   37 15 o 51.34699 4.098755 134.2881       20.42939 119.4000       33.88527 142.7900       25.60659 46.17349 7.773255 52.43864 5.051203 -6.265152      9.270283 
1 1 1 8   37 16 o 14.68249 6.259179 2.264959       15.83382 4.094000       26.14351 1.205379       19.89845 18.41699 7.949866 15.95835 6.912132 2.458637       10.53461 
1 1 1 8   37 17 o 46.77347 5.094585 114.2218       22.94811 0.000000       0.000000 114.2218       22.94811 ?        ?        46.77347 5.094585 ?              ?        
1 1 1 8   37 18 o 23.84730 7.299469 31.74777       18.63260 40.25000       23.54075 17.48763       30.48708 26.45725 8.223546 21.74489 8.932567 4.712364       12.14156 
1 1 1 8   37 19 o 31.05871 4.825324 50.67892       14.19357 0.000000       0.000000 50.67892       14.19357 ?        ?        31.05871 4.825324 ?              ?        
1 1 1 8   37 20 o 30.14298 4.456601 47.34425       12.75325 0.000000       0.000000 47.34425       12.75325 ?        ?        30.14298 4.456601 ?              ?        
1 1 1 8   37 21 o 21.86330 8.721402 20.95675       28.10891 0.000000       0.000000 20.95675       28.10891 ?        ?        21.86330 8.721402 ?              ?        
1 1 1 8   37 22 o 36.85291 13.12453 101.1000       59.61616 0.000000       0.000000 101.1000       59.61616 ?        ?        36.85291 13.12453 ?              ?        
1 1 1 8   37 23 o 23.73935 10.79175 4.661000       54.77398 0.000000       0.000000 4.661000       54.77398 ?        ?        23.73935 10.79175 ?              ?        
1 1 1 8   37 24 o 30.79093 9.347076 58.95585       30.63616 0.000000       0.000000 58.95585       30.63616 ?        ?        30.79093 9.347076 ?              ?        
1 1 1 8   37 25 o 23.70543 9.206050 29.55807       30.58962 0.000000       0.000000 29.55807       30.58962 ?        ?        23.70543 9.206050 ?              ?        
1 1 1 8   37 26 o 19.43441 8.411392 7.403799       29.42196 0.000000       0.000000 7.403799       29.42196 ?        ?        19.43441 8.411392 ?              ?        
1 1 1 8   37 27 o 28.87541 9.264606 51.61720       29.66181 0.000000       0.000000 51.61720       29.66181 ?        ?        28.87541 9.264606 ?              ?        
1 1 1 8   37 28 o 40.18546 8.238198 95.68777       31.31549 0.000000       0.000000 95.68777       31.31549 ?        ?        40.18546 8.238198 ?              ?        
1 1 1 8   37 29 o 23.72916 9.543794 28.32000       33.94672 0.000000       0.000000 28.32000       33.94672 ?        ?        23.72916 9.543794 ?              ?        
1 1 1 8   37 30 o 26.47387 9.249343 42.71113       29.50008 0.000000       0.000000 42.71113       29.50008 ?        ?        26.47387 9.249343 ?              ?        
1 1 1 8   37 31 o 17.65984 8.160180 -11.90000      33.08746 0.000000       0.000000 -11.90000      33.08746 ?        ?        17.65984 8.160180 ?              ?        
1 1 1 8   37 32 o 21.42773 9.175390 14.81000       34.29823 0.000000       0.000000 14.81000       34.29823 ?        ?        21.42773 9.175390 ?              ?        
1 1 1 8   37 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   37 34 o 24.55162 9.697729 33.64000       34.43032 0.000000       0.000000 33.64000       34.43032 ?        ?        24.55162 9.697729 ?              ?        
1 1 1 8   37 35 o 16.30830 7.672935 -19.33000      31.45458 0.000000       0.000000 -19.33000      31.45458 ?        ?        16.30830 7.672935 ?              ?        
1 1 1 8   37 36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   37 37 o 17.57034 7.997123 -4.061000      30.19375 0.000000       0.000000 -4.061000      30.19375 ?        ?        17.57034 7.997123 ?              ?        
1 1 1 8   37 38 o 19.82124 8.544662 12.52000       30.12372 0.000000       0.000000 12.52000       30.12372 ?        ?        19.82124 8.544662 ?              ?        
1 1 1 8   38 0  o 18.28008 7.005359 14.01694       17.54388 30.00000       42.03838 10.64619       19.30540 25.89139 10.54515 17.87157 7.193922 8.019821       12.76529 
1 1 1 8   38 1  o 39.30616 5.320523 81.07320       19.94502 126.0000       45.84721 70.58590       22.15093 45.29034 10.54039 36.04481 6.518180 9.245533       12.39300 
1 1 1 8   38 2  o 44.26909 4.838045 101.4353       20.62321 107.7000       46.09167 99.86712       23.06036 41.20564 11.15621 43.56799 5.532003 -2.362350      12.45247 
1 1 1 8   38 3  o 29.49110 6.727802 48.00554       18.99010 5.077000       42.65980 58.61457       21.20721 22.46000 9.913554 32.59306 6.864603 -10.13306      12.05825 
1 1 1 8   38 4  o 17.78452 7.264269 9.482996       20.01896 -27.84000      41.19538 21.02162       22.90537 18.65261 8.777493 21.22665 8.035481 -2.574045      11.90014 
1 1 1 8   38 5  o 24.52119 7.839931 33.40948       21.25452 70.91000       42.42757 20.84516       24.55835 33.53383 11.10239 21.47392 8.273128 12.05991       13.84585 
1 1 1 8   38 6  o 27.59949 8.056874 43.49677       23.11415 0.000000       0.000000 43.49677       23.11415 ?        ?        27.59949 8.056874 ?              ?        
1 1 1 8   38 7  o 27.86391 9.460864 44.94617       30.79013 0.000000       0.000000 44.94617       30.79013 ?        ?        27.86391 9.460864 ?              ?        
1 1 1 8   38 8  o 41.04120 8.605553 97.37720       33.46409 0.000000       0.000000 97.37720       33.46409 ?        ?        41.04120 8.605553 ?              ?        
1 1 1 8   38 9  o 46.48926 5.441360 113.5122       24.29297 109.3000       41.64492 115.6848       29.90894 42.23429 10.19147 46.07201 6.839471 -3.837715      12.27373 
1 1 1 8   38 10 o 58.20875 4.026779 172.2321       22.80170 155.3000       44.13745 178.3960       26.63057 51.62197 9.065672 58.88098 4.658544 -7.259010      10.19257 
1 1 1 8   38 11 o 28.35115 7.016059 45.00669       19.36356 54.10000       36.59007 41.46943       22.82105 29.89672 10.30900 26.90709 8.045145 2.989632       13.07669 
1 1 1 8   38 12 o 27.09756 6.961599 41.16656       18.56207 29.78000       32.73417 46.56324       22.53553 24.46328 9.516864 28.46674 7.839375 -4.003464      12.32990 
1 1 1 8   38 13 o 30.98298 6.362359 52.67355       18.64865 9.718000       30.32574 78.79581       23.64869 20.34141 8.666615 37.92122 6.611405 -17.57981      10.90050 
1 1 1 8   38 14 o 19.71800 7.101062 19.32257       17.50378 -30.84000      27.90545 51.86100       22.47488 14.44918 6.919495 30.10241 7.621432 -15.65323      10.29396 
1 1 1 8   38 15 o 70.97834 3.476913 253.9623       24.08254 212.8000       41.06616 275.5381       29.73161 62.42529 6.832199 73.48966 4.150060 -11.06437      7.993869 
1 1 1 8   38 16 o 44.64691 4.347198 102.6893       18.75767 72.34000       30.96705 120.2782       23.57467 34.63482 9.039663 47.91399 5.105163 -13.27917      10.38163 
1 1 1 8   38 17 o 61.10990 4.424569 192.0150       26.28679 0.000000       0.000000 192.0150       26.28679 ?        ?        61.10990 4.424569 ?              ?        
1 1 1 8   38 18 o 11.47528 5.543519 -26.04525      18.84166 0.000000       0.000000 -26.04525      18.84166 ?        ?        11.47528 5.543519 ?              ?        
1 1 1 8   38 19 o 33.67927 4.817652 59.67820       15.43007 0.000000       0.000000 59.67820       15.43007 ?        ?        33.67927 4.817652 ?              ?        
1 1 1 8   38 20 o 53.07171 3.239007 142.0690       16.74588 0.000000       0.000000 142.0690       16.74588 ?        ?        53.07171 3.239007 ?              ?        
1 1 1 8   38 21 o 22.98288 10.59350 -3.298000      55.26613 0.000000       0.000000 -3.298000      55.26613 ?        ?        22.98288 10.59350 ?              ?        
1 1 1 8   38 22 o 30.20112 9.372411 57.13946       30.59117 0.000000       0.000000 57.13946       30.59117 ?        ?        30.20112 9.372411 ?              ?        
1 1 1 8   38 23 o 39.29267 8.886935 94.08018       33.37663 0.000000       0.000000 94.08018       33.37663 ?        ?        39.29267 8.886935 ?              ?        
1 1 1 8   38 24 o 40.35642 8.668393 98.00062       33.21989 0.000000       0.000000 98.00062       33.21989 ?        ?        40.35642 8.668393 ?              ?        
1 1 1 8   38 25 o 21.11087 8.664177 18.15088       28.64884 0.000000       0.000000 18.15088       28.64884 ?        ?        21.11087 8.664177 ?              ?        
1 1 1 8   38 26 o 22.60562 8.799672 26.32263       28.00010 0.000000       0.000000 26.32263       28.00010 ?        ?        22.60562 8.799672 ?              ?        
1 1 1 8   38 27 o 30.78573 9.110328 59.38111       29.38358 0.000000       0.000000 59.38111       29.38358 ?        ?        30.78573 9.110328 ?              ?        
1 1 1 8   38 28 o 23.05657 8.913673 28.28841       28.57993 0.000000       0.000000 28.28841       28.57993 ?        ?        23.05657 8.913673 ?              ?        
1 1 1 8   38 29 o 21.60245 8.716086 21.44260       28.41174 0.000000       0.000000 21.44260       28.41174 ?        ?        21.60245 8.716086 ?              ?        
1 1 1 8   38 30 o 32.17825 10.16965 68.68000       35.85014 0.000000       0.000000 68.68000       35.85014 ?        ?        32.17825 10.16965 ?              ?        
1 1 1 8   38 31 o 25.97659 9.807899 41.17000       34.07273 0.000000       0.000000 41.17000       34.07273 ?        ?        25.97659 9.807899 ?              ?        
1 1 1 8   38 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   38 33 o 27.23892 9.775344 47.58000       33.13723 0.000000       0.000000 47.58000       33.13723 ?        ?        27.23892 9.775344 ?              ?        
1 1 1 8   38 34 o 20.88680 8.864272 16.26000       31.51134 0.000000       0.000000 16.26000       31.51134 ?        ?        20.88680 8.864272 ?              ?        
1 1 1 8   38 35 o 19.81406 8.532130 12.01000       29.97140 0.000000       0.000000 12.01000       29.97140 ?        ?        19.81406 8.532130 ?              ?        
1 1 1 8   38 36 o 26.30748 9.524059 45.52000       31.53790 0.000000       0.000000 45.52000       31.53790 ?        ?        26.30748 9.524059 ?              ?        
1 1 1 8   38 37 o 18.14309 8.094763 3.267000       29.21584 0.000000       0.000000 3.267000       29.21584 ?        ?        18.14309 8.094763 ?              ?        
1 1 1 8   39 0  o 30.31328 6.531472 50.66252       18.80751 63.46000       44.24185 47.83969       20.77849 31.66768 11.30317 29.08362 7.308671 2.584061       13.46025 
1 1 1 8   39 1  o 23.50972 7.288075 30.70369       18.50333 75.74000       43.02057 20.48142       20.49597 34.23310 11.17186 20.57934 7.640110 13.65376       13.53446 
1 1 1 8   39 2  o 36.29988 5.840980 70.63289       20.04976 97.94000       45.41870 64.02352       22.34481 38.74728 11.28904 33.93046 6.961548 4.816818       13.26294 
1 1 1 8   39 3  o 36.35404 6.424886 72.08002       22.02655 80.75000       46.44781 69.56458       25.01864 34.95616 11.61794 35.06853 7.514577 -0.1123772     13.83638 
1 1 1 8   39 4  o 32.15549 8.202919 60.17750       25.89773 12.06000       43.01300 87.54000       32.43591 23.16546 10.09679 38.52979 8.794809 -15.36432      13.39006 
1 1 1 8   39 5  o 50.88366 4.460185 133.2486       21.99013 76.00000       42.77068 153.8194       25.63830 34.18528 11.13823 54.45098 4.861436 -20.26571      12.15293 
1 1 1 8   39 6  o 18.87945 8.340803 0.5713554      30.26409 0.000000       0.000000 0.5713554      30.26409 ?        ?        18.87945 8.340803 ?              ?        
1 1 1 8   39 7  o 21.86149 7.933701 24.63317       21.90212 0.000000       0.000000 24.63317       21.90212 ?        ?        21.86149 7.933701 ?              ?        
1 1 1 8   39 8  o 18.39060 7.548577 10.59643       21.74923 0.000000       0.000000 10.59643       21.74923 ?        ?        18.39060 7.548577 ?              ?        
1 1 1 8   39 9  o 45.74008 5.590897 110.9920       24.51167 146.6000       41.52208 91.94561       30.36769 50.06856 8.793091 39.99230 8.036757 10.07626       11.91251 
1 1 1 8   39 10 o 34.15512 7.091454 65.52161       22.93163 104.6000       38.69193 44.36259       28.47081 41.25851 9.738403 27.38612 9.095730 13.87239       13.32549 
1 1 1 8   39 11 o 40.58406 5.350998 87.24023       20.73932 67.63000       39.61858 94.64228       24.34075 32.37247 10.72896 41.82448 6.127306 -9.452007      12.35534 
1 1 1 8   39 12 o 24.98039 7.128164 35.33117       18.28547 25.02000       30.25340 41.26603       22.95227 22.99713 9.088361 26.64063 8.091095 -3.643503      12.16816 
1 1 1 8   39 13 o 48.74694 4.391755 122.5171       20.73074 133.1000       35.38541 116.9865       25.58038 48.44635 7.720970 46.83789 5.696613 1.608463       9.595039 
1 1 1 8   39 14 o 52.75439 4.112259 142.6333       21.06702 110.8000       34.88150 160.9129       26.43241 43.41066 8.513389 55.52999 4.913642 -12.11933      9.829632 
1 1 1 8   39 15 o 70.82845 3.498876 253.6642       24.18222 238.8000       41.41179 261.3555       29.78866 66.22302 6.471129 71.32987 4.286289 -5.106850      7.761945 
1 1 1 8   39 16 o 18.06233 6.811514 15.02188       16.42273 28.33000       26.95378 7.164436       20.71105 23.12124 8.724766 17.21963 7.240802 5.901617       11.33802 
1 1 1 8   39 17 o 21.18728 7.913187 22.99358       22.05114 0.000000       0.000000 22.99358       22.05114 ?        ?        21.18728 7.913187 ?              ?        
1 1 1 8   39 18 o 18.82714 7.259161 16.03117       18.91812 0.000000       0.000000 16.03117       18.91812 ?        ?        18.82714 7.259161 ?              ?        
1 1 1 8   39 19 o 42.04791 4.451981 92.04883       18.04531 0.000000       0.000000 92.04883       18.04531 ?        ?        42.04791 4.451981 ?              ?        
1 1 1 8   39 20 o 34.55421 4.089667 61.85889       13.56450 0.000000       0.000000 61.85889       13.56450 ?        ?        34.55421 4.089667 ?              ?        
1 1 1 8   39 21 o 56.87719 6.675809 179.2014       36.45957 0.000000       0.000000 179.2014       36.45957 ?        ?        56.87719 6.675809 ?              ?        
1 1 1 8   39 22 o 23.10039 8.926137 28.08464       28.64935 0.000000       0.000000 28.08464       28.64935 ?        ?        23.10039 8.926137 ?              ?        
1 1 1 8   39 23 o 32.63536 9.205556 67.12711       30.67447 0.000000       0.000000 67.12711       30.67447 ?        ?        32.63536 9.205556 ?              ?        
1 1 1 8   39 24 o 25.43760 9.256093 38.55608       29.83907 0.000000       0.000000 38.55608       29.83907 ?        ?        25.43760 9.256093 ?              ?        
1 1 1 8   39 25 o 41.35356 8.249661 101.9864       32.22170 0.000000       0.000000 101.9864       32.22170 ?        ?        41.35356 8.249661 ?              ?        
1 1 1 8   39 26 o 21.98479 8.811605 23.19953       28.83218 0.000000       0.000000 23.19953       28.83218 ?        ?        21.98479 8.811605 ?              ?        
1 1 1 8   39 27 o 18.09406 8.219100 -4.724000      31.69593 0.000000       0.000000 -4.724000      31.69593 ?        ?        18.09406 8.219100 ?              ?        
1 1 1 8   39 28 o 50.15052 8.703744 152.1000       41.17687 0.000000       0.000000 152.1000       41.17687 ?        ?        50.15052 8.703744 ?              ?        
1 1 1 8   39 29 o 38.75335 9.888238 98.21000       37.62665 0.000000       0.000000 98.21000       37.62665 ?        ?        38.75335 9.888238 ?              ?        
1 1 1 8   39 30 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   39 31 o 16.24234 7.633844 -18.33000      30.99076 0.000000       0.000000 -18.33000      30.99076 ?        ?        16.24234 7.633844 ?              ?        
1 1 1 8   39 32 o 18.79657 8.398245 2.505000       31.56539 0.000000       0.000000 2.505000       31.56539 ?        ?        18.79657 8.398245 ?              ?        
1 1 1 8   39 33 o 47.83224 8.640102 141.5000       38.96417 0.000000       0.000000 141.5000       38.96417 ?        ?        47.83224 8.640102 ?              ?        
1 1 1 8   39 34 o 28.83883 9.700037 56.76000       32.36469 0.000000       0.000000 56.76000       32.36469 ?        ?        28.83883 9.700037 ?              ?        
1 1 1 8   39 35 o 28.11716 9.574250 53.76000       31.53535 0.000000       0.000000 53.76000       31.53535 ?        ?        28.11716 9.574250 ?              ?        
1 1 1 8   40 0  o 41.46781 5.189041 90.74321       20.60243 65.50000       44.59521 97.59286       23.23006 31.57574 11.33910 42.71826 5.697532 -11.14252      12.69004 
1 1 1 8   40 1  f 35.73070 5.858786 68.97771       19.78109 70.28000       43.31048 68.63445       22.23577 32.58905 11.21671 35.14973 6.707487 -2.560684      13.06924 
1 1 1 8   40 2  o 19.83679 7.820715 16.74124       22.35427 -6.590000      39.08901 28.08000       27.25012 19.94934 9.087390 23.23469 8.771484 -3.285347      12.63011 
1 1 1 8   40 3  o 25.01354 7.789197 35.88218       21.10898 0.000000       0.000000 35.88218       21.10898 ?        ?        25.01354 7.789197 ?              ?        
1 1 1 8   40 4  o 17.26568 6.888273 10.92775       17.53671 -32.97000      37.15169 23.51281       19.89230 16.90751 8.065883 21.20243 7.577962 -4.294928      11.06725 
1 1 1 8   40 5  o 34.63780 7.433392 68.40915       24.44807 24.44000       37.81834 99.97685       32.04424 23.89384 9.895154 41.49385 8.180592 -17.60001      12.83885 
1 1 1 8   40 6  o 16.75400 6.904610 7.984896       18.29249 -28.54000      35.58559 21.10236       21.32576 16.87100 8.004313 20.72934 7.773793 -3.858345      11.15800 
1 1 1 8   40 7  o 42.44400 5.179405 95.06536       21.07287 109.1000       39.90247 89.63719       24.81565 41.82351 9.901438 40.39702 6.496008 1.426487       11.84215 
1 1 1 8   40 8  o 62.26210 4.732533 201.3221       28.62583 0.000000       0.000000 201.3221       28.62583 ?        ?        62.26210 4.732533 ?              ?        
1 1 1 8   40 9  o 29.58842 7.032931 49.81747       20.06760 52.90000       38.76011 48.68859       23.45610 29.00396 10.55005 28.73319 8.030386 0.2707748      13.25861 
1 1 1 8   40 10 o 23.31122 7.992736 30.55234       21.98523 79.59000       38.07331 6.021468       26.92850 34.94444 10.37773 18.67361 8.064521 16.27083       13.14282 
1 1 1 8   40 11 o 68.00809 3.828478 235.7241       25.38258 210.9000       48.21095 245.2439       29.85550 60.00750 8.440924 68.89629 4.450947 -8.888790      9.542542 
1 1 1 8   40 12 o 38.62594 5.432997 79.93667       19.97423 56.11000       35.29872 91.15956       24.22589 29.57689 10.12807 40.73116 6.277834 -11.15427      11.91592 
1 1 1 8   40 13 o 32.90993 6.117465 59.73078       18.98111 67.09000       31.54460 55.55391       23.76486 32.63233 9.378631 30.64219 7.879544 1.990133       12.24932 
1 1 1 8   40 14 o 17.97104 6.883017 14.52683       16.93000 35.49000       25.08827 -3.001261      22.94086 24.66749 8.534912 15.99003 7.150854 8.677462       11.13461 
1 1 1 8   40 15 o 19.39653 7.074483 19.12997       17.44545 32.10000       24.54346 5.885533       24.80174 23.70888 8.423439 17.99417 7.755095 5.714703       11.44971 
1 1 1 8   40 16 o 58.16365 5.346666 180.0053       30.09941 0.000000       0.000000 180.0053       30.09941 ?        ?        58.16365 5.346666 ?              ?        
1 1 1 8   40 17 o 15.31293 6.774187 -1.113538      20.02741 0.000000       0.000000 -1.113538      20.02741 ?        ?        15.31293 6.774187 ?              ?        
1 1 1 8   40 18 o 15.57300 6.897176 -1.194895      20.81958 0.000000       0.000000 -1.194895      20.81958 ?        ?        15.57300 6.897176 ?              ?        
1 1 1 8   40 19 o 39.28062 4.054981 79.70872       15.36715 0.000000       0.000000 79.70872       15.36715 ?        ?        39.28062 4.054981 ?              ?        
1 1 1 8   40 20 o 16.31021 7.540517 -11.97652      28.30757 0.000000       0.000000 -11.97652      28.30757 ?        ?        16.31021 7.540517 ?              ?        
1 1 1 8   40 21 o 22.88576 8.928119 27.56622       28.87353 0.000000       0.000000 27.56622       28.87353 ?        ?        22.88576 8.928119 ?              ?        
1 1 1 8   40 22 o 34.47224 9.187163 75.09344       31.55962 0.000000       0.000000 75.09344       31.55962 ?        ?        34.47224 9.187163 ?              ?        
1 1 1 8   40 23 o 32.35524 9.293122 66.79452       30.98133 0.000000       0.000000 66.79452       30.98133 ?        ?        32.35524 9.293122 ?              ?        
1 1 1 8   40 24 o 20.97481 8.675250 18.10227       29.01764 0.000000       0.000000 18.10227       29.01764 ?        ?        20.97481 8.675250 ?              ?        
1 1 1 8   40 25 o 29.87117 9.400640 57.29662       30.66360 0.000000       0.000000 57.29662       30.66360 ?        ?        29.87117 9.400640 ?              ?        
1 1 1 8   40 26 o 18.23903 8.105725 1.843353       29.00149 0.000000       0.000000 1.843353       29.00149 ?        ?        18.23903 8.105725 ?              ?        
1 1 1 8   40 27 o 22.32457 9.355875 21.96000       34.39794 0.000000       0.000000 21.96000       34.39794 ?        ?        22.32457 9.355875 ?              ?        
1 1 1 8   40 28 o 18.89728 8.392089 3.398000       31.02935 0.000000       0.000000 3.398000       31.02935 ?        ?        18.89728 8.392089 ?              ?        
1 1 1 8   40 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   40 30 f 19.31395 8.472511 7.748000       30.71763 0.000000       0.000000 7.748000       30.71763 ?        ?        19.31395 8.472511 ?              ?        
1 1 1 8   40 31 o 18.53457 8.228232 4.339000       29.80424 0.000000       0.000000 4.339000       29.80424 ?        ?        18.53457 8.228232 ?              ?        
1 1 1 8   40 32 o 36.64736 9.604445 90.40000       34.86301 0.000000       0.000000 90.40000       34.86301 ?        ?        36.64736 9.604445 ?              ?        
1 1 1 8   40 33 o 26.59922 9.625423 47.72000       32.20821 0.000000       0.000000 47.72000       32.20821 ?        ?        26.59922 9.625423 ?              ?        
1 1 1 8   41 0  o 21.76521 8.767702 21.37847       28.69891 -3.286000      39.02717 50.42000       42.34878 20.07160 9.118505 28.30715 10.87482 -8.235558      14.19186 
1 1 1 8   41 1  o 20.63907 7.921513 20.69693       22.45600 0.000000       0.000000 20.69693       22.45600 ?        ?        20.63907 7.921513 ?              ?        
1 1 1 8   41 2  o 16.77546 6.882132 8.816522       18.06667 -15.64000      37.09817 16.42006       20.68536 18.31145 8.522817 19.26330 7.544627 -0.9518528     11.38243 
1 1 1 8   41 3  o 20.65155 8.138383 19.62829       24.19775 56.73000       37.92858 -5.838324      31.42355 29.53319 10.47353 18.00379 8.180302 11.52940       13.28955 
1 1 1 8   41 4  o 53.63337 5.383035 153.1129       27.87810 109.6000       43.48243 183.4827       36.32664 40.49178 10.78036 57.68477 6.549455 -17.19299      12.61394 
1 1 1 8   41 5  o 41.97113 5.168509 93.62062       20.78558 86.73000       41.16862 95.97807       24.08012 35.74583 10.83201 41.92295 6.042372 -6.177116      12.40334 
1 1 1 8   41 6  o 43.10743 5.096013 98.52090       21.08723 79.64000       40.84047 105.3843       24.62344 34.17965 10.86084 44.08484 5.850582 -9.905190      12.33642 
1 1 1 8   41 7  f 26.24042 7.396039 40.14505       19.80831 51.69000       39.22922 36.19421       22.94870 28.40395 10.56515 24.81642 8.163074 3.587536       13.35133 
1 1 1 8   41 8  o 21.07997 7.365887 24.17616       18.70943 19.57000       33.66665 26.23431       22.50446 22.12719 9.263345 22.01257 8.034052 0.1146164      12.26196 
1 1 1 8   41 9  o 33.03806 7.507199 63.63387       23.72373 0.000000       0.000000 63.63387       23.72373 ?        ?        33.03806 7.507199 ?              ?        
1 1 1 8   41 10 f 19.67445 7.377997 19.26036       19.20921 13.45000       36.43725 21.49675       22.60572 21.57325 9.348806 20.76985 7.953886 0.8034039      12.27455 
1 1 1 8   41 11 o 27.18935 7.837155 44.03009       21.99704 23.72000       35.64887 56.51775       27.95312 23.00085 9.573218 30.12722 8.878119 -7.126366      13.05632 
1 1 1 8   41 12 o 17.22424 6.852409 11.68389       17.30657 2.289000       27.28012 18.01178       22.38876 17.98637 7.933765 19.87692 7.829757 -1.890553      11.14674 
1 1 1 8   41 13 o 24.45057 6.890465 34.35111       17.19419 21.62000       26.33731 43.80766       22.69888 21.32825 8.463566 27.04808 8.008025 -5.719831      11.65163 
1 1 1 8   41 14 o 23.56937 7.298432 32.03990       18.56187 40.60000       26.46393 23.75054       26.04206 25.92098 8.771333 21.76475 8.482417 4.156235       12.20195 
1 1 1 8   41 15 o 21.82450 8.089299 25.54723       22.95981 0.000000       0.000000 25.54723       22.95981 ?        ?        21.82450 8.089299 ?              ?        
1 1 1 8   41 16 f 32.26737 6.192675 58.00554       18.84798 0.000000       0.000000 58.00554       18.84798 ?        ?        32.26737 6.192675 ?              ?        
1 1 1 8   41 17 o 60.68323 5.781649 199.2445       33.92754 0.000000       0.000000 199.2445       33.92754 ?        ?        60.68323 5.781649 ?              ?        
1 1 1 8   41 18 o 8.947534 4.468399 -39.61955      16.05206 0.000000       0.000000 -39.61955      16.05206 ?        ?        8.947534 4.468399 ?              ?        
1 1 1 8   41 19 o 12.75151 5.495337 0.9507607      12.45239 0.000000       0.000000 0.9507607      12.45239 ?        ?        12.75151 5.495337 ?              ?        
1 1 1 8   41 20 o 13.04026 6.387143 -42.87162      27.48687 0.000000       0.000000 -42.87162      27.48687 ?        ?        13.04026 6.387143 ?              ?        
1 1 1 8   41 21 o 22.17566 8.847766 24.61900       28.93508 0.000000       0.000000 24.61900       28.93508 ?        ?        22.17566 8.847766 ?              ?        
1 1 1 8   41 22 o 22.46873 8.903385 26.00063       29.10647 0.000000       0.000000 26.00063       29.10647 ?        ?        22.46873 8.903385 ?              ?        
1 1 1 8   41 23 o 21.32494 8.711727 20.63629       28.79707 0.000000       0.000000 20.63629       28.79707 ?        ?        21.32494 8.711727 ?              ?        
1 1 1 8   41 24 f 11.38701 5.699372 -64.01806      26.78044 0.000000       0.000000 -64.01806      26.78044 ?        ?        11.38701 5.699372 ?              ?        
1 1 1 8   41 25 f 41.62446 9.789023 113.0000       39.20985 0.000000       0.000000 113.0000       39.20985 ?        ?        41.62446 9.789023 ?              ?        
1 1 1 8   41 26 o 19.19897 8.556446 3.655000       32.55032 0.000000       0.000000 3.655000       32.55032 ?        ?        19.19897 8.556446 ?              ?        
1 1 1 8   41 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   41 28 o 20.48167 9.012218 11.04000       34.99863 0.000000       0.000000 11.04000       34.99863 ?        ?        20.48167 9.012218 ?              ?        
1 1 1 8   41 29 o 17.82131 8.021586 0.3568000      29.38649 0.000000       0.000000 0.3568000      29.38649 ?        ?        17.82131 8.021586 ?              ?        
1 1 1 8   41 30 o 31.88821 9.901771 71.36000       34.13876 0.000000       0.000000 71.36000       34.13876 ?        ?        31.88821 9.901771 ?              ?        
1 1 1 8   41 31 o 36.29555 9.631616 89.93000       34.78077 0.000000       0.000000 89.93000       34.78077 ?        ?        36.29555 9.631616 ?              ?        
1 1 1 8   42 0  o 20.12439 7.874479 19.13662       22.51599 -0.2665000     39.05016 28.80000       27.55824 20.20803 9.156960 22.98711 8.787249 -2.779081      12.69116 
1 1 1 8   42 1  o 40.88545 5.236440 89.43850       20.47568 52.67000       42.09221 100.8361       23.43534 28.32108 10.85156 43.12486 5.690586 -14.80377      12.25312 
1 1 1 8   42 2  o 31.87838 8.911894 63.62389       28.88406 56.22000       40.36912 71.39000       41.34482 29.01864 10.73173 32.03072 10.96140 -3.012077      15.34021 
1 1 1 8   42 3  o 36.10605 8.662677 80.04747       30.22284 40.35000       41.85406 123.3000       43.68798 26.20468 10.57681 43.13754 10.45671 -16.93286      14.87319 
1 1 1 8   42 4  o 29.04830 6.986644 48.71695       19.62139 72.11000       42.84162 42.50744       22.07247 32.04251 11.14946 26.65884 7.897767 5.383673       13.66328 
1 1 1 8   42 5  o 36.55284 5.964902 73.43459       20.60645 -5.810000      41.28895 99.72000       23.77970 20.04967 9.210462 42.79122 5.828720 -22.74156      10.89984 
1 1 1 8   42 6  o 55.48953 4.261354 159.4472       22.96828 150.6000       44.08113 162.7442       26.90980 49.01516 9.531199 55.49468 5.007788 -6.479515      10.76669 
1 1 1 8   42 7  o 13.37818 6.150735 -9.122375      18.46521 20.40000       35.63921 -19.95555      21.58889 22.42888 9.468519 13.14306 6.235299 9.285814       11.33719 
1 1 1 8   42 8  o 48.33519 4.726656 122.6640       22.07717 89.83000       40.72344 136.3304       26.27302 36.26582 10.72340 50.46986 5.402225 -14.20404      12.00731 
1 1 1 8   42 9  o 33.97061 7.605383 67.76786       24.65789 0.000000       0.000000 67.76786       24.65789 ?        ?        33.97061 7.605383 ?              ?        
1 1 1 8   42 10 o 30.20655 7.988545 54.90926       23.97813 0.000000       0.000000 54.90926       23.97813 ?        ?        30.20655 7.988545 ?              ?        
1 1 1 8   42 11 o 30.19039 7.255568 53.26514       21.17405 29.12000       29.83185 77.77888       30.05870 23.21223 9.069409 35.45002 8.723000 -12.23779      12.58352 
1 1 1 8   42 12 o 27.65179 7.148650 44.67965       19.48972 61.19000       29.54154 31.95488       25.93462 31.00364 9.124362 23.54497 8.619683 7.458668       12.55201 
1 1 1 8   42 13 o 16.47437 6.862063 7.687481       18.33662 -5.985000      26.98536 19.41549       24.99290 16.63949 7.568326 20.54602 8.214470 -3.906525      11.16947 
1 1 1 8   42 14 f 16.07594 7.153938 -1.155105      22.66707 0.000000       0.000000 -1.155105      22.66707 ?        ?        16.07594 7.153938 ?              ?        
1 1 1 8   42 15 o 50.02978 5.293708 134.0446       25.53080 0.000000       0.000000 134.0446       25.53080 ?        ?        50.02978 5.293708 ?              ?        
1 1 1 8   42 16 o 17.48553 6.917075 12.75106       17.54057 0.000000       0.000000 12.75106       17.54057 ?        ?        17.48553 6.917075 ?              ?        
1 1 1 8   42 17 o 32.73980 7.224046 62.47187       22.52898 0.000000       0.000000 62.47187       22.52898 ?        ?        32.73980 7.224046 ?              ?        
1 1 1 8   42 18 o 32.97872 6.424550 61.35698       19.99290 0.000000       0.000000 61.35698       19.99290 ?        ?        32.97872 6.424550 ?              ?        
1 1 1 8   42 19 o 22.97258 6.924684 30.47793       16.85620 0.000000       0.000000 30.47793       16.85620 ?        ?        22.97258 6.924684 ?              ?        
1 1 1 8   42 20 o 19.06982 8.293018 7.985689       28.88008 0.000000       0.000000 7.985689       28.88008 ?        ?        19.06982 8.293018 ?              ?        
1 1 1 8   42 21 o 26.20495 9.847745 43.66000       34.26064 0.000000       0.000000 43.66000       34.26064 ?        ?        26.20495 9.847745 ?              ?        
1 1 1 8   42 22 o 32.30392 10.26200 71.87000       36.46305 0.000000       0.000000 71.87000       36.46305 ?        ?        32.30392 10.26200 ?              ?        
1 1 1 8   42 23 o 25.55000 9.800242 40.57000       34.35615 0.000000       0.000000 40.57000       34.35615 ?        ?        25.55000 9.800242 ?              ?        
1 1 1 8   42 24 o 28.41153 10.04367 54.96000       34.85586 0.000000       0.000000 54.96000       34.85586 ?        ?        28.41153 10.04367 ?              ?        
1 1 1 8   42 25 o 26.20330 9.974721 45.04000       35.41439 0.000000       0.000000 45.04000       35.41439 ?        ?        26.20330 9.974721 ?              ?        
1 1 1 8   42 26 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   42 27 o 14.12797 6.864561 -35.86000      29.98396 0.000000       0.000000 -35.86000      29.98396 ?        ?        14.12797 6.864561 ?              ?        
1 1 1 8   42 28 o 18.99008 8.469122 6.223000       31.94583 0.000000       0.000000 6.223000       31.94583 ?        ?        18.99008 8.469122 ?              ?        
1 1 1 8   42 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   43 0  o 48.93892 4.470043 125.2316       21.17658 91.66000       42.93808 136.0220       24.34307 35.89175 11.09811 50.64091 4.975128 -14.74916      12.16224 
1 1 1 8   43 1  o 35.60749 9.508946 82.10339       33.76652 124.9000       42.79029 11.47000       54.97252 43.45432 10.23081 23.65392 10.77559 19.80039       14.85877 
1 1 1 8   43 2  o 49.98104 4.558918 130.9231       22.05825 164.0000       45.31984 120.6545       25.25111 51.07224 9.412313 47.21825 5.570515 3.853992       10.93720 
1 1 1 8   43 3  o 13.59368 6.173858 -6.036757      17.87543 32.00000       36.82267 -17.76406      20.44620 24.27537 9.875908 12.92418 6.112699 11.35119       11.61459 
1 1 1 8   43 4  o 24.33671 7.265054 34.72602       18.62132 31.05000       35.30774 36.14251       21.91731 23.98709 9.702760 24.59980 7.970188 -0.6127052     12.55657 
1 1 1 8   43 5  o 38.50856 6.053949 81.97186       22.06708 84.97000       38.68491 80.52573       26.86700 35.23934 10.45961 36.92000 7.684772 -1.680656      12.97918 
1 1 1 8   43 6  o 35.62804 6.154277 70.60841       20.68645 22.80000       37.22989 91.96094       24.88079 22.84323 9.662156 40.49183 6.497237 -17.64860      11.64351 
1 1 1 8   43 7  o 23.37994 7.431825 31.92334       19.12150 52.25000       34.78550 23.12172       22.89003 28.20375 10.02736 21.06077 8.018749 7.142981       12.83932 
1 1 1 8   43 8  o 26.25424 7.238197 40.58245       19.19957 50.96000       34.80064 36.04169       23.01991 27.88651 10.01647 24.52216 8.179717 3.364347       12.93203 
1 1 1 8   43 9  f 24.10363 7.529211 34.31158       19.70701 91.24000       36.03500 10.02004       23.53897 37.30053 9.759164 18.26335 7.701738 19.03718       12.43214 
1 1 1 8   43 10 o 19.97549 8.007158 18.03879       23.81082 0.000000       0.000000 18.03879       23.81082 ?        ?        19.97549 8.007158 ?              ?        
1 1 1 8   43 11 o 31.76273 6.927022 58.28417       20.92823 34.35000       30.78953 78.83879       28.53308 24.25536 9.284150 35.96901 8.276383 -11.71365      12.43760 
1 1 1 8   43 12 o 21.45601 7.621295 25.72960       20.09057 24.17000       28.39403 27.29323       28.43071 21.93104 8.759817 22.58206 8.844870 -0.6510181     12.44854 
1 1 1 8   43 13 o 29.53309 8.389715 54.06297       25.38677 0.000000       0.000000 54.06297       25.38677 ?        ?        29.53309 8.389715 ?              ?        
1 1 1 8   43 14 o 16.46287 7.209088 2.340740       22.15192 0.000000       0.000000 2.340740       22.15192 ?        ?        16.46287 7.209088 ?              ?        
1 1 1 8   43 15 o 23.48626 7.346841 32.36377       18.75693 0.000000       0.000000 32.36377       18.75693 ?        ?        23.48626 7.346841 ?              ?        
1 1 1 8   43 16 o 69.32880 3.601983 245.6121       24.35958 0.000000       0.000000 245.6121       24.35958 ?        ?        69.32880 3.601983 ?              ?        
1 1 1 8   43 17 o 31.91813 7.227437 59.95360       22.05351 0.000000       0.000000 59.95360       22.05351 ?        ?        31.91813 7.227437 ?              ?        
1 1 1 8   43 18 o 19.30149 7.228967 19.13168       18.42881 0.000000       0.000000 19.13168       18.42881 ?        ?        19.30149 7.228967 ?              ?        
1 1 1 8   43 19 o 36.98636 10.15688 93.02000       37.88958 0.000000       0.000000 93.02000       37.88958 ?        ?        36.98636 10.15688 ?              ?        
1 1 1 8   43 20 o 21.75319 9.131774 21.03000       32.85476 0.000000       0.000000 21.03000       32.85476 ?        ?        21.75319 9.131774 ?              ?        
1 1 1 8   43 21 o 18.07206 8.188996 -1.428000      31.22975 0.000000       0.000000 -1.428000      31.22975 ?        ?        18.07206 8.188996 ?              ?        
1 1 1 8   43 22 o 21.03576 8.964959 17.94000       32.46555 0.000000       0.000000 17.94000       32.46555 ?        ?        21.03576 8.964959 ?              ?        
1 1 1 8   43 23 f 22.49837 9.251874 26.97000       32.75048 0.000000       0.000000 26.97000       32.75048 ?        ?        22.49837 9.251874 ?              ?        
1 1 1 8   43 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   43 25 o 19.92209 8.830656 10.61000       34.19772 0.000000       0.000000 10.61000       34.19772 ?        ?        19.92209 8.830656 ?              ?        
1 1 1 8   43 26 f 40.65437 9.766054 113.3000       38.37498 0.000000       0.000000 113.3000       38.37498 ?        ?        40.65437 9.766054 ?              ?        
1 1 1 8   44 0  o 21.47266 8.991214 19.59903       31.72772 0.000000       0.000000 19.59903       31.72772 ?        ?        21.47266 8.991214 ?              ?        
1 1 1 8   44 1  o 21.89383 7.354646 27.51623       18.60615 35.41000       38.27787 25.07412       21.29061 24.83042 10.08119 21.32549 7.809454 3.504934       12.75218 
1 1 1 8   44 2  o 35.27600 6.668030 70.92636       22.18074 76.10000       41.03253 68.79043       26.36477 32.60701 10.92152 33.59944 8.109767 -0.9924240     13.60323 
1 1 1 8   44 3  o 32.79579 6.342242 60.71729       19.62306 64.83000       40.53936 59.45880       22.42531 30.29582 10.81916 31.72942 7.362984 -1.433598      13.08693 
1 1 1 8   44 4  o 20.47233 7.349145 22.90199       18.73101 26.41000       37.75549 21.75668       21.57310 23.31377 9.788177 20.47297 7.787105 2.840801       12.50789 
1 1 1 8   44 5  o 32.62506 6.485862 60.47467       19.98252 82.78000       39.37358 52.73643       23.19112 34.34706 10.62867 29.46063 7.886264 4.886436       13.23487 
1 1 1 8   44 6  o 23.27089 7.482486 31.86559       19.34065 14.88000       36.99152 38.25557       22.68882 21.50995 9.369500 25.09487 8.107498 -3.584915      12.39028 
1 1 1 8   44 7  o 25.19113 7.468502 37.82465       19.73236 21.77000       38.98779 43.35330       22.87902 22.75121 9.763113 26.61111 8.077358 -3.859901      12.67131 
1 1 1 8   44 8  o 43.13368 5.536406 101.1040       22.83660 113.2000       38.53654 94.55721       28.35085 41.77486 9.622719 40.12991 7.493078 1.644947       12.19602 
1 1 1 8   44 9  o 16.61130 7.107523 5.769471       20.55178 -20.66000      32.01484 24.29528       26.80375 16.22990 7.668017 21.68696 8.559539 -5.457064      11.49192 
1 1 1 8   44 10 o 25.09016 8.829194 38.87281       26.91253 0.000000       0.000000 38.87281       26.91253 ?        ?        25.09016 8.829194 ?              ?        
1 1 1 8   44 11 o 15.33609 7.036523 -8.106438      23.99787 0.000000       0.000000 -8.106438      23.99787 ?        ?        15.33609 7.036523 ?              ?        
1 1 1 8   44 12 f 37.57419 8.768980 88.91365       31.66007 0.000000       0.000000 88.91365       31.66007 ?        ?        37.57419 8.768980 ?              ?        
1 1 1 8   44 13 o 17.92037 7.313213 12.48916       20.26747 0.000000       0.000000 12.48916       20.26747 ?        ?        17.92037 7.313213 ?              ?        
1 1 1 8   44 14 o 19.10379 7.476208 17.42855       20.29841 0.000000       0.000000 17.42855       20.29841 ?        ?        19.10379 7.476208 ?              ?        
1 1 1 8   44 15 o 17.80554 7.183931 12.91858       19.30040 0.000000       0.000000 12.91858       19.30040 ?        ?        17.80554 7.183931 ?              ?        
1 1 1 8   44 16 o 29.22853 6.746106 49.67658       18.90901 0.000000       0.000000 49.67658       18.90901 ?        ?        29.22853 6.746106 ?              ?        
1 1 1 8   44 17 o 19.70120 7.758399 19.09762       21.97717 0.000000       0.000000 19.09762       21.97717 ?        ?        19.70120 7.758399 ?              ?        
1 1 1 8   44 18 o 32.78112 10.07254 75.19000       35.43609 0.000000       0.000000 75.19000       35.43609 ?        ?        32.78112 10.07254 ?              ?        
1 1 1 8   44 19 o 24.17590 9.660114 35.74000       34.54353 0.000000       0.000000 35.74000       34.54353 ?        ?        24.17590 9.660114 ?              ?        
1 1 1 8   44 20 o 20.78311 8.923021 17.39000       32.59739 0.000000       0.000000 17.39000       32.59739 ?        ?        20.78311 8.923021 ?              ?        
1 1 1 8   44 21 o 25.86280 9.805372 45.64000       34.13752 0.000000       0.000000 45.64000       34.13752 ?        ?        25.86280 9.805372 ?              ?        
1 1 1 8   44 22 o 19.25949 8.276981 13.31236       28.09984 0.000000       0.000000 13.31236       28.09984 ?        ?        19.25949 8.276981 ?              ?        
1 1 1 8   44 23 o 24.22081 11.02933 29.25000       57.51748 0.000000       0.000000 29.25000       57.51748 ?        ?        24.22081 11.02933 ?              ?        
1 1 1 8   45 0  f 20.85904 7.726933 23.94908       20.94334 0.000000       0.000000 23.94908       20.94334 ?        ?        20.85904 7.726933 ?              ?        
1 1 1 8   45 1  o 20.01315 7.665664 20.70969       20.99994 0.000000       0.000000 20.70969       20.99994 ?        ?        20.01315 7.665664 ?              ?        
1 1 1 8   45 2  o 26.71905 7.265418 42.67195       19.49833 42.66000       41.02886 42.67543       22.16074 25.87522 10.46193 26.33302 7.940336 -0.4578056     13.13396 
1 1 1 8   45 3  o 18.86372 7.488086 16.33665       20.62263 -9.948000      38.60244 26.83448       24.39571 18.70617 8.702264 21.88758 8.291160 -3.181408      12.01968 
1 1 1 8   45 4  o 14.73135 6.494778 0.1122348      18.26046 21.88000       37.53521 -6.636897      20.90046 22.37923 9.591044 14.50069 6.620565 7.878538       11.65418 
1 1 1 8   45 5  f 21.16737 7.490063 25.47002       19.38864 4.743000       40.44209 31.65565       22.09313 20.59113 9.325831 23.04282 8.007298 -2.451685      12.29178 
1 1 1 8   45 6  o 38.75452 5.559536 82.32940       20.48642 69.78000       38.68578 87.22021       24.15075 31.16808 10.60444 39.15096 6.532053 -7.982872      12.45479 
1 1 1 8   45 7  f 19.62535 7.268544 20.47316       18.53058 -33.22000      33.45211 44.24292       22.25751 15.39347 7.423972 26.79019 7.929307 -11.39672      10.86229 
1 1 1 8   45 8  o 19.31178 7.448409 18.60739       19.92195 30.10000       33.38273 12.25047       24.82766 23.29601 9.430454 18.80177 7.918213 4.494232       12.31388 
1 1 1 8   45 9  o 36.56219 5.908300 74.36308       20.42390 50.45000       34.28722 87.51442       25.42726 27.37857 9.927892 38.88738 6.934487 -11.50881      12.10992 
1 1 1 8   45 10 o 18.02885 7.112157 14.65744       18.49700 13.53000       29.26208 15.40771       23.87095 19.85484 8.487808 19.23071 7.902410 0.6241322      11.59702 
1 1 1 8   45 11 o 27.72235 11.30576 55.14000       48.39814 0.000000       0.000000 55.14000       48.39814 ?        ?        27.72235 11.30576 ?              ?        
1 1 1 8   45 12 o 33.35592 10.29504 79.09000       36.96885 0.000000       0.000000 79.09000       36.96885 ?        ?        33.35592 10.29504 ?              ?        
1 1 1 8   45 13 o 18.25525 7.195114 15.52976       18.91609 0.000000       0.000000 15.52976       18.91609 ?        ?        18.25525 7.195114 ?              ?        
1 1 1 8   45 14 o 19.49503 7.297315 20.31399       18.77343 0.000000       0.000000 20.31399       18.77343 ?        ?        19.49503 7.297315 ?              ?        
1 1 1 8   45 15 o 42.21086 4.894130 95.85616       19.84683 0.000000       0.000000 95.85616       19.84683 ?        ?        42.21086 4.894130 ?              ?        
1 1 1 8   45 16 o 26.22750 7.376456 42.11293       19.72567 0.000000       0.000000 42.11293       19.72567 ?        ?        26.22750 7.376456 ?              ?        
1 1 1 8   45 17 o 28.19054 9.045981 53.68485       28.27779 0.000000       0.000000 53.68485       28.27779 ?        ?        28.19054 9.045981 ?              ?        
1 1 1 8   45 18 o 19.28597 8.167355 15.00882       26.65480 0.000000       0.000000 15.00882       26.65480 ?        ?        19.28597 8.167355 ?              ?        
1 1 1 8   45 19 o 17.95961 8.130855 1.406000       30.70633 0.000000       0.000000 1.406000       30.70633 ?        ?        17.95961 8.130855 ?              ?        
1 1 1 8   45 20 f 26.06687 11.32924 51.24000       53.83265 0.000000       0.000000 51.24000       53.83265 ?        ?        26.06687 11.32924 ?              ?        
1 1 1 8   46 0  o 26.92062 7.139936 43.52673       19.11961 45.10000       38.44262 43.00965       22.03870 25.91919 10.24430 26.26361 7.918231 -0.3444290     12.94775 
1 1 1 8   46 1  o 29.13782 7.694949 52.27365       22.26825 0.000000       0.000000 52.27365       22.26825 ?        ?        29.13782 7.694949 ?              ?        
1 1 1 8   46 2  o 27.52896 7.947739 47.38138       22.60530 0.000000       0.000000 47.38138       22.60530 ?        ?        27.52896 7.947739 ?              ?        
1 1 1 8   46 3  o 29.83873 7.048602 53.00667       20.25686 57.40000       40.57739 51.54835       23.37839 28.07843 10.67980 28.66671 8.018991 -0.5882816     13.35524 
1 1 1 8   46 4  o 29.35354 7.555200 52.70655       21.83479 96.04000       37.60320 30.66361       26.81933 37.09654 10.09059 22.73093 8.673700 14.36561       13.30613 
1 1 1 8   46 5  o 20.50326 7.380992 23.84351       18.90886 -11.52000      34.58276 38.92428       22.58363 17.50614 8.174831 24.92799 8.091516 -7.421852      11.50220 
1 1 1 8   46 6  o 21.61055 7.358983 27.53957       18.63050 1.805000       33.77229 38.79686       22.33670 18.82239 8.523729 24.89764 8.044388 -6.075247      11.72033 
1 1 1 8   46 7  o 21.90890 7.638407 28.52794       20.11302 12.20000       33.87365 37.41917       24.99637 20.18863 8.875332 24.32858 8.513083 -4.139950      12.29813 
1 1 1 8   46 8  o 22.59774 7.378942 30.75876       18.76649 26.93000       32.27100 32.71515       23.06808 22.27889 9.175080 23.07539 8.169472 -0.7964993     12.28505 
1 1 1 8   46 9  o 17.17990 8.053895 -12.97120      34.11729 0.000000       0.000000 -12.97120      34.11729 ?        ?        17.17990 8.053895 ?              ?        
1 1 1 8   46 10 o 22.40134 7.474147 30.36467       19.21966 0.000000       0.000000 30.36467       19.21966 ?        ?        22.40134 7.474147 ?              ?        
1 1 1 8   46 11 o 21.20988 8.040124 25.97351       22.95044 0.000000       0.000000 25.97351       22.95044 ?        ?        21.20988 8.040124 ?              ?        
1 1 1 8   46 12 o 15.36724 6.667721 3.855226       18.58194 0.000000       0.000000 3.855226       18.58194 ?        ?        15.36724 6.667721 ?              ?        
1 1 1 8   46 13 o 18.51439 7.415115 16.43748       20.40175 0.000000       0.000000 16.43748       20.40175 ?        ?        18.51439 7.415115 ?              ?        
1 1 1 8   46 14 o 21.15274 7.280035 26.77976       18.24427 0.000000       0.000000 26.77976       18.24427 ?        ?        21.15274 7.280035 ?              ?        
1 1 1 8   46 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 8   46 16 o 17.72131 8.683823 -45.29000      50.98214 0.000000       0.000000 -45.29000      50.98214 ?        ?        17.72131 8.683823 ?              ?        
1 1 1 8   47 0  o 28.47537 7.053717 49.23909       19.55779 41.33000       39.06328 51.88487       22.59348 24.70327 10.12546 28.58628 7.840406 -3.883011      12.80613 
1 1 1 8   47 1  o 19.47147 7.347676 20.90452       19.11688 -20.07000      38.72459 34.10780       21.98218 17.33198 8.259027 23.26412 7.991661 -5.932146      11.49253 
1 1 1 8   47 2  o 27.40843 7.939669 48.10947       22.52433 0.000000       0.000000 48.10947       22.52433 ?        ?        27.40843 7.939669 ?              ?        
1 1 1 8   47 3  o 19.04246 7.668311 17.83251       21.94495 0.000000       0.000000 17.83251       21.94495 ?        ?        19.04246 7.668311 ?              ?        
1 1 1 8   47 4  o 29.77632 6.980731 53.59180       19.99017 30.09000       36.59652 63.58595       23.86504 22.75833 9.600549 31.82165 7.737700 -9.063326      12.33055 
1 1 1 8   47 5  o 21.70704 8.017618 28.66554       22.51962 32.26000       35.43416 26.23000       29.16774 23.00611 9.557282 21.53893 8.779531 1.467184       12.97774 
1 1 1 8   47 6  o 31.65909 7.134787 61.00937       21.57869 53.32000       35.76491 65.41076       27.05866 26.84089 10.06690 31.37149 8.570551 -4.530602      13.22107 
1 1 1 8   47 7  o 17.75286 7.059060 15.00046       18.35696 37.80000       31.22075 2.953656       22.69427 23.88992 9.294135 16.25488 7.200002 7.635042       11.75674 
1 1 1 8   47 8  o 19.94132 8.142240 20.20682       25.13910 0.000000       0.000000 20.20682       25.13910 ?        ?        19.94132 8.142240 ?              ?        
1 1 1 8   47 9  o 20.13832 7.731010 22.93517       21.39211 0.000000       0.000000 22.93517       21.39211 ?        ?        20.13832 7.731010 ?              ?        
1 1 1 8   47 10 o 22.73524 10.36123 23.72000       50.89067 0.000000       0.000000 23.72000       50.89067 ?        ?        22.73524 10.36123 ?              ?        
1 1 1 9   0  0  o 986.7869 37.30739 48850.00       3591.788 48850.00       3591.788 48850.00       3591.788 986.7869 37.30739 986.7869 37.30739 0.000000       0.000000 
1 1 1 9   0  1  o 628.7693 23.64532 19590.00       1450.588 19590.00       1450.588 19590.00       1450.588 628.7693 23.64532 628.7693 23.64532 0.000000       0.000000 
1 1 1 9   0  2  o 419.6420 15.93405 8687.000       652.3568 8687.000       652.3568 8687.000       652.3568 419.6420 15.93405 419.6420 15.93405 0.000000       0.000000 
1 1 1 9   0  3  o 75.10152 5.205393 280.1000       37.83612 280.1000       37.83612 280.1000       37.83612 75.10152 5.205393 75.10152 5.205393 0.000000       0.000000 
1 1 1 9   0  4  o 82.56831 5.307924 337.9000       42.48686 337.9000       42.48686 337.9000       42.48686 82.56831 5.307924 82.56831 5.307924 0.000000       0.000000 
1 1 1 9   0  5  o 198.0936 8.201323 1932.000       158.4021 1932.000       158.4021 1932.000       158.4021 198.0936 8.201323 198.0936 8.201323 0.000000       0.000000 
1 1 1 9   0  6  o 139.6601 4.571434 957.9105       62.34112 957.9105       62.34112 957.9105       62.34112 139.6601 4.571434 139.6601 4.571434 0.000000       0.000000 
1 1 1 9   0  7  o 221.4348 6.331892 2406.820       136.9877 2406.820       136.9877 2406.820       136.9877 221.4348 6.331892 221.4348 6.331892 0.000000       0.000000 
1 1 1 9   0  8  o 1092.897 28.78868 59178.52       3074.862 59178.52       3074.862 59178.52       3074.862 1092.897 28.78868 1092.897 28.78868 0.000000       0.000000 
1 1 1 9   0  9  o 35.19183 5.737125 65.26164       18.18667 65.26164       18.18667 65.26164       18.18667 35.19183 5.737125 35.19183 5.737125 0.000000       0.000000 
1 1 1 9   0  10 o 199.7087 8.369940 1964.000       162.9609 1964.000       162.9609 1964.000       162.9609 199.7087 8.369940 199.7087 8.369940 0.000000       0.000000 
1 1 1 9   0  11 o 113.1704 6.217731 632.8000       68.39793 632.8000       68.39793 632.8000       68.39793 113.1704 6.217731 113.1704 6.217731 0.000000       0.000000 
1 1 1 9   0  12 o 680.2249 25.59112 22950.00       1698.432 22950.00       1698.432 22950.00       1698.432 680.2249 25.59112 680.2249 25.59112 0.000000       0.000000 
1 1 1 9   0  13 o 333.7270 12.95523 5489.000       421.7464 5489.000       421.7464 5489.000       421.7464 333.7270 12.95523 333.7270 12.95523 0.000000       0.000000 
1 1 1 9   0  14 o 108.0180 4.304480 573.9280       45.34716 573.9280       45.34716 573.9280       45.34716 108.0180 4.304480 108.0180 4.304480 0.000000       0.000000 
1 1 1 9   0  15 o 253.1017 7.148522 3145.584       176.7801 3145.584       176.7801 3145.584       176.7801 253.1017 7.148522 253.1017 7.148522 0.000000       0.000000 
1 1 1 9   0  16 f 234.7991 6.735850 2707.334       154.5204 2707.334       154.5204 2707.334       154.5204 234.7991 6.735850 234.7991 6.735850 0.000000       0.000000 
1 1 1 9   0  17 o 111.8364 4.433265 615.2859       48.35673 615.2859       48.35673 615.2859       48.35673 111.8364 4.433265 111.8364 4.433265 0.000000       0.000000 
1 1 1 9   0  18 o 337.2419 9.215552 5590.915       303.6934 5590.915       303.6934 5590.915       303.6934 337.2419 9.215552 337.2419 9.215552 0.000000       0.000000 
1 1 1 9   0  19 o 311.1857 8.576587 4760.357       260.7917 4760.357       260.7917 4760.357       260.7917 311.1857 8.576587 311.1857 8.576587 0.000000       0.000000 
1 1 1 9   0  20 o 463.0240 12.40361 10568.63       561.2452 10568.63       561.2452 10568.63       561.2452 463.0240 12.40361 463.0240 12.40361 0.000000       0.000000 
1 1 1 9   0  21 o 301.6039 8.366498 4473.548       246.5645 4473.548       246.5645 4473.548       246.5645 301.6039 8.366498 301.6039 8.366498 0.000000       0.000000 
1 1 1 9   0  22 o 13.49687 8.643428 1.159000       25.70913 1.159000       25.70913 1.159000       25.70913 13.49687 8.643428 13.49687 8.643428 0.000000       0.000000 
1 1 1 9   0  23 o 29.42242 9.222785 53.28759       23.30731 53.28759       23.30731 53.28759       23.30731 29.42242 9.222785 29.42242 9.222785 0.000000       0.000000 
1 1 1 9   0  24 o 225.7141 6.565885 2504.755       144.7856 2504.755       144.7856 2504.755       144.7856 225.7141 6.565885 225.7141 6.565885 0.000000       0.000000 
1 1 1 9   0  25 o 288.1756 11.42627 4110.000       321.1524 4110.000       321.1524 4110.000       321.1524 288.1756 11.42627 288.1756 11.42627 0.000000       0.000000 
1 1 1 9   0  26 o 240.6798 9.879400 2864.000       231.8495 2864.000       231.8495 2864.000       231.8495 240.6798 9.879400 240.6798 9.879400 0.000000       0.000000 
1 1 1 9   0  27 o 245.6775 7.050304 2969.552       169.2270 2969.552       169.2270 2969.552       169.2270 245.6775 7.050304 245.6775 7.050304 0.000000       0.000000 
1 1 1 9   0  28 o 164.6868 5.383351 1333.999       86.56935 1333.999       86.56935 1333.999       86.56935 164.6868 5.383351 164.6868 5.383351 0.000000       0.000000 
1 1 1 9   0  29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  30 o 80.18073 4.627635 318.2765       36.03996 318.2765       36.03996 318.2765       36.03996 80.18073 4.627635 80.18073 4.627635 0.000000       0.000000 
1 1 1 9   0  31 o 69.21345 4.663450 238.0593       31.25963 238.0593       31.25963 238.0593       31.25963 69.21345 4.663450 69.21345 4.663450 0.000000       0.000000 
1 1 1 9   0  32 o 157.3568 5.248701 1219.164       80.63919 1219.164       80.63919 1219.164       80.63919 157.3568 5.248701 157.3568 5.248701 0.000000       0.000000 
1 1 1 9   0  33 o 62.28104 6.282399 196.4000       37.33488 196.4000       37.33488 196.4000       37.33488 62.28104 6.282399 62.28104 6.282399 0.000000       0.000000 
1 1 1 9   0  34 o 15.04212 8.776845 13.41591       21.44399 13.41591       21.44399 13.41591       21.44399 15.04212 8.776845 15.04212 8.776845 0.000000       0.000000 
1 1 1 9   0  35 o 15.46865 8.883309 15.08314       21.43212 15.08314       21.43212 15.08314       21.43212 15.46865 8.883309 15.46865 8.883309 0.000000       0.000000 
1 1 1 9   0  36 f 89.78259 7.304916 406.2000       63.18732 406.2000       63.18732 406.2000       63.18732 89.78259 7.304916 89.78259 7.304916 0.000000       0.000000 
1 1 1 9   0  37 o 89.23304 4.531410 394.4518       39.34492 394.4518       39.34492 394.4518       39.34492 89.23304 4.531410 89.23304 4.531410 0.000000       0.000000 
1 1 1 9   0  38 o 79.50552 4.632859 314.1830       35.77130 314.1830       35.77130 314.1830       35.77130 79.50552 4.632859 79.50552 4.632859 0.000000       0.000000 
1 1 1 9   0  39 o 19.93929 9.883684 29.42392       23.24700 29.42392       23.24700 29.42392       23.24700 19.93929 9.883684 19.93929 9.883684 0.000000       0.000000 
1 1 1 9   0  40 o 51.78814 5.868029 137.5933       28.76231 137.5933       28.76231 137.5933       28.76231 51.78814 5.868029 51.78814 5.868029 0.000000       0.000000 
1 1 1 9   0  41 o 97.21358 4.718590 469.3711       44.65768 469.3711       44.65768 469.3711       44.65768 97.21358 4.718590 97.21358 4.718590 0.000000       0.000000 
1 1 1 9   0  42 o 39.09537 7.743845 84.36372       26.33685 84.36372       26.33685 84.36372       26.33685 39.09537 7.743845 39.09537 7.743845 0.000000       0.000000 
1 1 1 9   0  43 o 169.9372 5.594556 1436.304       92.83069 1436.304       92.83069 1436.304       92.83069 169.9372 5.594556 169.9372 5.594556 0.000000       0.000000 
1 1 1 9   0  44 o 66.54932 5.240164 223.4379       33.63383 223.4379       33.63383 223.4379       33.63383 66.54932 5.240164 66.54932 5.240164 0.000000       0.000000 
1 1 1 9   0  45 o 103.9925 4.927238 539.5867       49.89713 539.5867       49.89713 539.5867       49.89713 103.9925 4.927238 103.9925 4.927238 0.000000       0.000000 
1 1 1 9   0  46 o 74.79228 5.122200 281.8758       37.08849 281.8758       37.08849 281.8758       37.08849 74.79228 5.122200 74.79228 5.122200 0.000000       0.000000 
1 1 1 9   0  47 o 35.58218 8.989858 75.10879       27.07470 75.10879       27.07470 75.10879       27.07470 35.58218 8.989858 35.58218 8.989858 0.000000       0.000000 
1 1 1 9   0  48 o 19.09222 9.986043 28.07203       24.49017 28.07203       24.49017 28.07203       24.49017 19.09222 9.986043 19.09222 9.986043 0.000000       0.000000 
1 1 1 9   0  49 o 24.02810 11.19147 44.56000       29.25932 44.56000       29.25932 44.56000       29.25932 24.02810 11.19147 24.02810 11.19147 0.000000       0.000000 
1 1 1 9   0  50 o 12.19458 8.106343 -5.045000      25.87292 -5.045000      25.87292 -5.045000      25.87292 12.19458 8.106343 12.19458 8.106343 0.000000       0.000000 
1 1 1 9   0  51 o 32.23177 14.96097 86.05000       52.26094 86.05000       52.26094 86.05000       52.26094 32.23177 14.96097 32.23177 14.96097 0.000000       0.000000 
1 1 1 9   0  52 o 20.56824 12.76037 25.76000       51.31115 25.76000       51.31115 25.76000       51.31115 20.56824 12.76037 20.56824 12.76037 0.000000       0.000000 
1 1 1 9   0  53 f 66.56464 5.371810 226.9141       34.45928 226.9141       34.45928 226.9141       34.45928 66.56464 5.371810 66.56464 5.371810 0.000000       0.000000 
1 1 1 9   0  54 o 17.08681 9.650482 21.90331       24.71484 21.90331       24.71484 21.90331       24.71484 17.08681 9.650482 17.08681 9.650482 0.000000       0.000000 
1 1 1 9   0  55 o 67.74574 5.228458 234.6934       34.18312 234.6934       34.18312 234.6934       34.18312 67.74574 5.228458 67.74574 5.228458 0.000000       0.000000 
1 1 1 9   0  56 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   0  57 o 78.73640 5.061183 315.1795       38.63179 315.1795       38.63179 315.1795       38.63179 78.73640 5.061183 78.73640 5.061183 0.000000       0.000000 
1 1 1 9   0  58 o 21.71312 10.47359 37.65047       25.83856 37.65047       25.83856 37.65047       25.83856 21.71312 10.47359 21.71312 10.47359 0.000000       0.000000 
1 1 1 9   0  59 o 18.31772 10.13783 26.59797       26.60445 26.59797       26.60445 26.59797       26.60445 18.31772 10.13783 18.31772 10.13783 0.000000       0.000000 
1 1 1 9   0  60 o 12.39444 8.196045 -2.190736      25.88531 -2.190736      25.88531 -2.190736      25.88531 12.39444 8.196045 12.39444 8.196045 0.000000       0.000000 
1 1 1 9   0  61 o 19.06078 10.80608 29.55000       31.14411 29.55000       31.14411 29.55000       31.14411 19.06078 10.80608 19.06078 10.80608 0.000000       0.000000 
1 1 1 9   1  0  o 477.6903 12.69021 11228.94       592.8386 11600.00       858.0281 10890.00       820.0609 484.1603 18.13738 469.1589 17.89025 15.00137       25.47598 
1 1 1 9   1  1  f 301.6459 8.235656 4465.317       242.9379 4365.000       338.4028 4572.000       348.9732 297.8319 11.63033 304.8101 11.71834 -6.978180      16.51013 
1 1 1 9   1  2  o 603.3486 15.95587 17957.08       941.4857 18910.00       1381.181 17130.00       1286.753 616.6068 22.92412 587.0284 22.43520 29.57837       32.07575 
1 1 1 9   1  3  o 566.8094 14.99734 15830.59       831.3347 15250.00       1144.115 16480.00       1210.021 554.4676 21.11942 576.2900 21.48855 -21.82239      30.12951 
1 1 1 9   1  4  o 318.8644 8.661411 4989.554       270.0838 4950.000       379.8442 5030.000       384.1036 317.1678 12.25826 319.7188 12.29658 -2.551056      17.36291 
1 1 1 9   1  5  o 386.9430 8.455343 7340.976       320.2466 7245.531       388.9109 7542.000       564.4139 384.1083 10.35348 391.2096 14.76598 -7.101288      18.03410 
1 1 1 9   1  6  o 221.7643 5.149847 2408.490       111.7872 2448.664       138.3715 2333.000       189.6788 223.4793 6.332006 217.9377 8.910397 5.541611       10.93112 
1 1 1 9   1  7  o 430.4083 9.350274 9085.955       393.9229 9088.939       482.6289 9080.000       681.8034 430.0942 11.47445 429.0338 16.26480 1.060425       19.90494 
1 1 1 9   1  8  o 312.5982 6.012937 4786.741       183.9837 4816.787       261.3988 4757.245       259.0023 313.3197 8.531280 311.3780 8.505824 1.941650       12.04706 
1 1 1 9   1  9  o 418.6506 9.112677 8596.031       373.4254 8547.721       455.5392 8695.000       652.0088 417.1035 11.16778 419.8545 15.89400 -2.750916      19.42521 
1 1 1 9   1  10 f 294.1853 6.589344 4240.458       189.7446 4258.479       233.0251 4205.000       326.8692 294.6144 8.088232 292.3961 11.44288 2.218262       14.01282 
1 1 1 9   1  11 o 206.4924 4.925667 2088.188       99.55783 2258.195       127.7273 1825.000       158.9222 214.6104 6.086469 192.7351 8.444481 21.87538       10.40934 
1 1 1 9   1  12 o 210.2146 6.178472 2166.937       126.9927 2051.000       174.6505 2297.000       184.9843 204.3042 8.753748 216.2303 8.758135 -11.92606      12.38277 
1 1 1 9   1  13 o 259.8438 5.946429 3307.979       151.2428 3422.000       269.0676 3255.313       182.8659 263.7878 10.44141 257.5981 7.259675 6.189636       12.71715 
1 1 1 9   1  14 o 291.4555 6.569495 4163.212       187.4176 3959.000       315.2621 4274.829       233.0749 283.5956 11.38017 295.1214 8.076014 -11.52579      13.95458 
1 1 1 9   1  15 o 71.10036 3.055919 247.9520       21.21801 276.7437       30.93186 222.3643       29.16006 75.05396 4.227518 67.23392 4.456062 7.820030       6.142345 
1 1 1 9   1  16 o 254.2088 5.059855 3166.051       125.9026 3135.694       176.9460 3197.180       179.1815 252.7522 7.159410 255.2181 7.179717 -2.465866      10.13930 
1 1 1 9   1  17 o 127.3302 3.251437 794.3924       40.49090 738.9305       55.74457 856.3365       58.91220 122.7256 4.648868 132.1344 4.561786 -9.408867      6.513206 
1 1 1 9   1  18 o 162.3708 3.668386 1291.212       58.30276 1283.187       82.10580 1299.375       82.80376 161.7253 5.193416 162.7424 5.204775 -1.017090      7.352635 
1 1 1 9   1  19 o 170.2779 3.779876 1420.237       63.00022 1415.211       89.01871 1425.281       89.17300 169.8194 5.362071 170.4239 5.352239 -0.6045227     7.576165 
1 1 1 9   1  20 o 280.5493 5.529457 3859.935       151.8441 3798.934       212.5522 3923.514       216.9967 277.9321 7.820829 282.4497 7.856477 -4.517670      11.08556 
1 1 1 9   1  21 o 141.4532 3.459403 980.1260       47.89830 1007.018       68.34635 954.1702       67.14645 143.2357 4.881946 139.4183 4.928114 3.817459       6.936836 
1 1 1 9   1  22 o 236.2059 4.798544 2735.566       110.9447 2844.000       225.5627 2700.962       127.4237 239.9961 9.621393 234.6354 5.548176 5.360687       11.10646 
1 1 1 9   1  23 o 31.26254 5.429474 49.33313       16.01207 45.25217       22.11416 53.83046       23.21489 29.76503 7.573081 32.44326 7.465497 -2.678230      10.63415 
1 1 1 9   1  24 o 178.9135 5.568171 1572.692       97.39416 0.000000       0.000000 1572.692       97.39416 ?        ?        178.9135 5.568171 ?              ?        
1 1 1 9   1  25 f 159.5692 3.656790 1247.843       57.11568 1193.521       78.75179 1308.126       82.95996 155.8677 5.168914 163.1837 5.200445 -7.315994      7.332278 
1 1 1 9   1  26 o 80.38631 4.335032 317.8088       33.98373 319.9000       47.95958 315.7000       48.16156 80.45511 6.136269 79.91328 6.205693 0.5418243      8.727223 
1 1 1 9   1  27 o 263.1599 6.092598 3403.643       156.9381 3430.344       192.6711 3351.000       270.5323 263.8081 7.468949 259.7841 10.66164 4.023987       13.01752 
1 1 1 9   1  28 o 217.3772 6.393296 2326.355       135.8854 2255.000       188.2389 2404.000       196.3602 213.3865 9.032745 220.3089 9.125496 -6.922409      12.83998 
1 1 1 9   1  29 o 407.9026 7.786561 8210.693       310.8912 8163.010       437.8199 8259.190       441.5367 404.8825 11.05776 407.2440 11.08690 -2.361542      15.65865 
1 1 1 9   1  30 o 136.5388 3.428632 914.6076       45.78671 913.3378       64.56927 915.8919       64.93668 136.2802 4.848187 136.4680 4.869110 -0.1878357     6.871182 
1 1 1 9   1  31 o 250.6714 5.832094 3093.270       143.0986 3137.305       176.9352 3010.000       243.3091 251.9722 7.181226 245.6360 10.14134 6.336243       12.42645 
1 1 1 9   1  32 f 187.0067 4.684847 1720.060       85.68733 1671.393       103.3620 1827.000       153.2195 184.1113 5.742564 191.7756 8.181134 -7.664307      9.995399 
1 1 1 9   1  33 o 75.69666 3.250320 281.6422       24.02680 264.6763       32.99885 300.7849       35.05207 73.21162 4.628512 78.06732 4.607589 -4.855705      6.530926 
1 1 1 9   1  34 o 134.5604 4.808454 892.9086       63.23102 873.9000       86.06689 915.2000       93.20316 132.6616 6.649232 135.6496 7.043622 -2.988022      9.686325 
1 1 1 9   1  35 o 27.22996 7.173469 38.22573       19.38286 46.32807       22.24428 12.67000       39.50547 29.91610 7.586582 24.91516 10.19405 5.000946       12.70727 
1 1 1 9   1  36 o 220.0152 4.605037 2388.420       99.17266 2337.467       138.1351 2442.620       142.4679 216.6835 6.520283 221.4739 6.579152 -4.790390      9.262793 
1 1 1 9   1  37 o 76.95189 3.976680 292.6024       29.85179 380.0000       58.22765 261.4409       34.76865 86.94806 6.898184 72.53780 4.926080 14.41026       8.476509 
1 1 1 9   1  38 o 134.6726 3.456003 893.6752       45.51983 838.8146       62.25780 956.6882       66.72349 130.0257 4.900455 138.8669 4.916542 -8.841187      6.941674 
1 1 1 9   1  39 o 30.49678 5.901830 47.93579       16.98068 45.14215       23.12597 51.20409       25.01356 29.33695 7.884931 31.17907 8.117790 -1.842113      11.31683 
1 1 1 9   1  40 o 92.68062 3.321029 423.9016       30.07913 404.5182       41.39849 445.5770       43.77777 90.15677 4.707464 94.62169 4.741797 -4.464920      6.681681 
1 1 1 9   1  41 o 28.16101 6.626112 41.54674       17.95796 64.27598       25.03896 17.47169       25.76959 34.92452 7.545265 21.95208 8.470114 12.97244       11.34345 
1 1 1 9   1  42 o 95.86292 3.341384 454.0939       31.30536 439.2334       43.50396 470.0529       45.08321 93.82172 4.752654 97.06241 4.759748 -3.240692      6.726286 
1 1 1 9   1  43 o 15.37210 6.518632 1.417468       17.01784 -7.534733      22.98072 12.28770       25.32317 16.09414 7.179996 20.59451 8.256765 -4.500370      10.94196 
1 1 1 9   1  44 f 103.6110 3.450980 531.7892       34.95009 511.5738       48.37017 553.8730       50.55603 101.0019 4.907313 105.0925 4.928404 -4.090675      6.954918 
1 1 1 9   1  45 o 105.5763 3.463883 553.0588       35.74764 524.0317       49.39588 584.9794       51.79930 102.0364 4.960581 107.8430 4.920071 -5.806549      6.986734 
1 1 1 9   1  46 o 94.13237 3.470147 440.5982       31.91898 450.9181       44.64122 429.8036       45.65642 94.53281 4.840560 92.14648 5.081614 2.386330       7.018106 
1 1 1 9   1  47 o 73.60204 3.617359 270.3313       25.98096 243.3514       35.53081 301.3336       38.08754 69.06445 5.296279 77.01210 5.081022 -7.947655      7.339438 
1 1 1 9   1  48 o 44.90367 4.970148 103.2775       21.48000 101.6388       28.05251 105.6000       33.39603 43.74434 6.770028 43.92339 8.064814 -0.1790504     10.52970 
1 1 1 9   1  49 o 20.11316 7.230931 19.03480       18.14084 2.625660       23.69810 42.26000       28.19359 17.78028 7.620477 27.74034 9.043447 -9.960056      11.82606 
1 1 1 9   1  50 f 60.54322 5.531018 189.4194       32.41592 197.3000       39.17270 172.3000       57.73642 61.09461 6.658105 53.46179 11.38250 7.632820       13.18680 
1 1 1 9   1  51 o 20.62943 8.079865 16.90714       23.72487 14.59000       26.93769 24.92000       50.09308 20.86136 8.461699 26.72257 11.25026 -5.861212      14.07724 
1 1 1 9   1  52 o 22.28152 7.885318 25.20425       21.48950 -4.867000      50.12717 31.97525       23.78612 23.07508 10.42329 24.41940 8.315105 -1.344324      13.33364 
1 1 1 9   1  53 o 38.01286 6.636165 78.37077       23.79401 62.72000       48.58081 83.31004       27.29156 32.04333 11.78631 38.74270 7.467418 -6.699375      13.95276 
1 1 1 9   1  54 o 29.00026 6.478693 46.07541       17.92628 29.97833       25.16162 62.66793       25.54591 23.84421 8.522675 33.16693 7.968570 -9.322718      11.66765 
1 1 1 9   1  55 o 51.40940 4.549682 135.7184       22.65833 141.6000       36.23462 131.9417       29.03550 50.56575 7.551922 49.79152 6.083755 0.7742310      9.697608 
1 1 1 9   1  56 o 22.45902 7.210593 27.44604       17.96534 15.85195       25.66373 38.58723       25.15748 20.55223 8.286865 26.07816 8.545219 -5.525932      11.90348 
1 1 1 9   1  57 o 35.80318 7.292083 71.58833       24.68613 59.48763       27.86713 115.7000       53.20638 31.82332 8.699136 41.45536 12.25706 -9.632040      15.03032 
1 1 1 9   1  58 o 16.78104 6.809165 8.750024       17.45090 9.970906       24.65907 7.525126       24.69958 19.05775 7.949389 18.59923 7.868644 0.4585190      11.18518 
1 1 1 9   1  59 o 38.80679 5.459993 79.88921       20.16717 57.90757       28.16941 103.0025       28.88543 31.15011 8.833697 43.09442 7.094466 -11.94431      11.32986 
1 1 1 9   1  60 o 13.67602 6.237239 -8.093083      18.48521 -15.03757      25.10375 0.1322000      27.32083 15.13772 7.033860 17.91899 7.920281 -2.781269      10.59274 
1 1 1 9   1  61 o 32.74854 6.461377 59.58819       19.97614 70.58891       28.62124 49.13953       27.89384 34.28533 8.556314 28.42385 8.968824 5.861483       12.39558 
1 1 1 9   2  0  o 273.0284 7.538216 3657.002       201.2643 3901.000       297.0761 3450.000       273.6289 281.6522 10.79576 264.8725 10.57530 16.77966       15.11242 
1 1 1 9   2  1  o 484.1679 12.88188 11534.41       609.9518 12910.00       933.6055 10510.00       805.6702 510.7572 18.70583 460.9974 17.88865 49.75977       25.88265 
1 1 1 9   2  2  o 732.7043 19.35286 26561.80       1386.755 25760.00       1918.038 27440.00       2007.344 717.6912 27.35326 740.5295 27.74226 -22.83838      38.95938 
1 1 1 9   2  3  o 490.6191 13.01812 11841.85       624.6189 11590.00       869.8229 12110.00       897.5170 484.1227 18.38906 494.8307 18.56310 -10.70801      26.12941 
1 1 1 9   2  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  5  o 157.5107 3.990648 1215.478       61.47660 1228.781       75.84634 1190.000       104.9660 158.3295 4.899929 155.6870 6.905129 2.642487       8.467002 
1 1 1 9   2  6  o 504.0074 10.88795 12468.64       537.1423 12343.10       653.5342 12730.00       942.9730 500.9225 13.34069 507.3994 19.02009 -6.476959      23.23226 
1 1 1 9   2  7  o 202.9715 4.809477 2017.412       95.55186 1994.492       116.3079 2065.000       167.5914 201.7003 5.897437 205.0631 8.367023 -3.362869      10.23654 
1 1 1 9   2  8  o 286.3877 7.882757 4023.352       220.7626 4023.352       220.7626 0.000000       0.000000 286.3877 7.882757 ?        ?        ?              ?        
1 1 1 9   2  9  o 113.4085 3.410245 630.2160       37.81323 617.9445       46.26748 654.9000       65.61967 112.2617 4.218045 115.4809 5.824005 -3.219269      7.191032 
1 1 1 9   2  10 o 333.8142 7.381830 5461.494       241.1987 5492.491       296.6262 5401.000       414.3828 334.5157 9.067499 331.2376 12.80485 3.278015       15.69025 
1 1 1 9   2  11 o 362.6083 7.973986 6446.242       283.0215 6522.536       349.5392 6301.000       482.2759 364.4548 9.807105 357.6186 13.80338 6.836212       16.93259 
1 1 1 9   2  12 f 482.6192 9.052927 11426.34       427.6612 11392.70       604.7064 11460.00       604.9022 481.1658 12.85087 482.5929 12.81689 -1.427094      18.14986 
1 1 1 9   2  13 o 89.94191 3.492875 396.6573       30.69199 420.8000       58.71448 387.5800       36.00247 92.43601 6.531353 88.87025 4.150217 3.565758       7.738403 
1 1 1 9   2  14 o 224.5582 5.290341 2470.217       116.2837 2365.000       198.2414 2525.409       143.5788 219.3217 9.255157 226.9092 6.471068 -7.587433      11.29304 
1 1 1 9   2  15 o 248.7957 5.749268 3033.155       140.0108 2974.000       241.2661 3063.192       171.9209 245.8454 10.04717 249.8498 7.036819 -4.004333      12.26632 
1 1 1 9   2  16 o 321.3310 6.200378 5061.582       195.0191 5051.060       275.5038 5072.149       276.0943 320.6158 8.787114 321.2848 8.787576 -0.6690369     12.42718 
1 1 1 9   2  17 o 242.6110 4.872658 2883.937       115.7131 2883.015       163.5924 2884.859       163.6938 242.3374 6.903656 242.4148 6.905734 -0.7733154E-01 9.764713 
1 1 1 9   2  18 o 127.4657 3.259903 796.1443       40.63942 768.7702       56.92777 824.5925       58.03384 125.1731 4.654405 129.6490 4.580245 -4.475945      6.530094 
1 1 1 9   2  19 o 83.14722 3.149715 339.0417       25.58817 317.9237       35.60587 361.5973       36.79783 80.42013 4.541709 85.79346 4.396556 -5.373329      6.321141 
1 1 1 9   2  20 o 205.4456 4.313723 2068.315       86.74718 2052.366       122.1423 2084.547       123.2230 204.4321 6.110807 206.0293 6.116989 -1.597214      8.646358 
1 1 1 9   2  21 o 164.8390 3.713984 1331.184       59.92473 1228.000       112.0520 1372.517       70.91832 157.9292 7.268034 167.2918 4.334547 -9.362610      8.462423 
1 1 1 9   2  22 o 304.6441 6.848053 4559.141       204.2049 4370.000       343.0024 4662.985       254.1537 296.9365 11.82488 307.6815 8.446951 -10.74493      14.53199 
1 1 1 9   2  23 o 222.4727 5.338068 2428.401       116.2431 0.000000       0.000000 2428.401       116.2431 ?        ?        222.4727 5.338068 ?              ?        
1 1 1 9   2  24 o 72.94721 3.588502 261.3788       25.54425 289.4655       32.05389 212.5000       42.28546 76.72005 4.285436 65.41642 6.698344 11.30363       7.951903 
1 1 1 9   2  25 o 80.42817 4.288873 318.0742       33.64220 346.0000       47.99501 291.1000       47.17021 83.72883 5.893840 76.70825 6.338846 7.020576       8.655538 
1 1 1 9   2  26 o 228.1385 4.679856 2553.271       104.5050 2531.300       146.6577 2575.935       148.9540 226.7938 6.613501 228.7776 6.658780 -1.983841      9.384974 
1 1 1 9   2  27 o 255.2144 5.120912 3197.360       127.9260 3180.124       179.9037 3214.989       181.9428 254.0436 7.242177 255.4234 7.284706 -1.379776      10.27210 
1 1 1 9   2  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   2  29 o 102.0072 4.447179 511.6068       44.29725 514.8000       61.65590 508.2000       63.68489 102.1059 6.198235 101.4097 6.449214 0.6962051      8.944857 
1 1 1 9   2  30 o 57.74214 4.034214 164.3782       22.65778 162.5461       27.23159 168.5000       40.84579 57.31766 4.900736 57.98246 7.362675 -0.6648064     8.844558 
1 1 1 9   2  31 o 111.7759 3.673828 613.5591       40.14051 615.2108       49.27250 610.3000       69.21568 111.8299 4.510580 111.0953 6.392044 0.7345886      7.823270 
1 1 1 9   2  32 o 150.5569 3.590002 1112.240       52.90557 1091.859       73.74585 1133.853       75.94204 148.8959 5.067363 151.7254 5.120832 -2.829514      7.204241 
1 1 1 9   2  33 o 160.8373 4.302629 1272.515       67.67630 1255.700       81.79797 1309.000       120.4905 159.5735 5.244037 162.2596 7.607590 -2.686096      9.239878 
1 1 1 9   2  34 o 23.14038 7.343362 26.18276       18.67562 28.04868       21.33236 20.06000       38.64264 24.13725 7.866279 26.02938 10.27621 -1.892130      12.94136 
1 1 1 9   2  35 o 137.4584 3.965873 930.3330       53.30426 942.6000       89.96111 923.6961       66.17113 137.6012 6.699366 136.7372 4.952147 0.8639374      8.330982 
1 1 1 9   2  36 o 68.43419 3.819610 231.2093       25.48425 283.5000       41.12938 198.6237       32.46779 75.44842 5.609372 63.14642 5.301794 12.30199       7.718424 
1 1 1 9   2  37 o 54.00413 3.765981 144.3224       19.78251 141.4546       26.98646 147.6536       29.08460 53.18580 5.252237 54.28320 5.551946 -1.097397      7.642650 
1 1 1 9   2  38 o 42.31691 5.558321 90.49274       22.46702 137.9000       43.48095 73.22535       26.24158 51.35737 8.976063 37.53930 7.404804 13.81808       11.63619 
1 1 1 9   2  39 o 64.21529 3.565204 203.9289       22.32138 204.8929       31.13562 202.9095       32.01723 64.04781 5.006208 63.68997 5.180479 0.3578415      7.204130 
1 1 1 9   2  40 o 65.62157 3.555234 213.0845       22.75077 205.8188       31.03868 221.5203       33.44477 64.15115 4.982049 66.51089 5.178003 -2.359741      7.185578 
1 1 1 9   2  41 o 43.46181 4.555288 94.78752       19.09135 99.41523       26.45215 89.75614       27.58175 44.04195 6.316610 41.58887 7.025445 2.453083       9.447562 
1 1 1 9   2  42 o 54.86407 3.909223 149.7544       20.85595 141.2966       28.77849 159.1099       30.26734 52.81427 5.654782 56.09912 5.586201 -3.284851      7.948723 
1 1 1 9   2  43 o 42.15313 4.786229 89.69904       19.39909 90.37931       27.01486 88.97482       27.87424 41.67517 6.861005 41.23767 7.165527 0.4374962      9.920593 
1 1 1 9   2  44 o 148.2368 3.744390 1090.280       54.28698 1118.507       77.15911 1062.610       76.39338 149.1376 5.293993 145.2944 5.380856 3.843109       7.548508 
1 1 1 9   2  45 o 117.1024 3.490919 680.4928       39.96931 693.1224       56.54240 667.8787       56.50789 117.3865 4.931949 115.1664 5.024855 2.220078       7.040830 
1 1 1 9   2  46 o 30.93136 6.384913 50.75618       18.69024 87.78295       25.81679 9.977044       27.09338 40.79731 6.697113 20.33618 8.394145 20.46113       10.73839 
1 1 1 9   2  47 f 65.16434 4.123252 213.3145       26.16516 206.0843       33.13012 225.3000       42.65573 63.47654 5.382874 65.61343 6.737297 -2.136883      8.623601 
1 1 1 9   2  48 o 62.16662 4.198956 194.7454       25.40091 177.8027       31.76366 224.8000       42.30523 58.73905 5.591941 65.41964 6.701224 -6.680588      8.727899 
1 1 1 9   2  49 o 48.42728 5.383905 121.0255       25.08988 120.2318       28.34270 123.9000       53.93951 47.87947 6.192530 44.80453 12.04204 3.074944       13.54098 
1 1 1 9   2  50 o 60.67418 3.895149 185.2384       23.01093 177.4451       31.14651 194.6041       34.14445 58.59663 5.494476 61.22457 5.765420 -2.627937      7.964254 
1 1 1 9   2  51 o 21.47155 7.349225 23.56915       18.58562 26.86000       27.67562 20.86593       25.08325 23.65272 8.858787 21.82421 8.373181 1.828506       12.18968 
1 1 1 9   2  52 o 36.24678 5.795585 69.55180       19.87003 85.39000       30.94705 58.44293       25.91800 38.80493 8.392147 32.06803 8.219666 6.736897       11.74696 
1 1 1 9   2  53 o 36.68991 5.502530 70.96983       19.15262 101.3447       28.36022 45.50072       25.96922 43.14144 6.952211 28.17050 8.616559 14.97094       11.07151 
1 1 1 9   2  54 o 22.13225 8.334461 23.46020       24.56791 0.000000       0.000000 23.46020       24.56791 ?        ?        22.13225 8.334461 ?              ?        
1 1 1 9   2  55 o 14.35405 6.288445 -1.301039      16.87206 -18.84302      24.19744 15.29731       23.53762 14.50340 6.793878 19.99251 7.978904 -5.489109      10.47949 
1 1 1 9   2  56 o 18.90119 7.005869 16.55651       17.22160 11.10009       24.59817 21.80239       24.11895 19.32919 7.990289 21.59004 8.228571 -2.260855      11.46970 
1 1 1 9   2  57 o 32.05157 6.663471 56.56508       20.22259 72.65865       27.12902 36.44000       30.33729 35.66508 7.971832 25.75523 9.338647 9.909851       12.27845 
1 1 1 9   2  58 o 42.98618 4.990672 96.41668       20.60893 94.11774       28.86966 98.80561       29.42925 40.98044 7.472356 42.04457 7.422215 -1.064133      10.53211 
1 1 1 9   2  59 o 29.29369 7.137860 48.49103       20.27611 56.64651       26.81377 37.60000       30.98615 30.94015 8.563122 25.86576 9.429248 5.074389       12.73726 
1 1 1 9   2  60 o 33.65051 6.198174 62.02314       19.66355 108.2408       28.31514 18.97174       27.32803 44.29149 6.743756 21.25499 8.557996 23.03650       10.89576 
1 1 1 9   2  61 o 14.50324 6.698334 -11.90122      22.25509 -6.787440      25.22389 -29.87000      47.28249 16.21082 7.351164 19.41552 9.215883 -3.204708      11.78864 
1 1 1 9   3  0  o 185.2118 5.483315 1681.689       99.29781 1867.000       149.6720 1536.000       132.7098 194.9943 7.857832 176.8496 7.684764 18.14470       10.99096 
1 1 1 9   3  1  o 270.9234 7.486607 3600.400       198.3450 3485.000       274.7478 3726.000       286.6340 266.2423 10.56365 275.2973 10.65714 -9.054962      15.00551 
1 1 1 9   3  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   3  3  o 257.5793 7.167677 3253.917       180.5399 3236.000       254.7362 3272.000       255.9117 256.5976 10.16229 258.0242 10.15248 -1.426605      14.36471 
1 1 1 9   3  4  o 151.8436 4.787179 1130.183       71.06232 1054.000       97.37126 1217.000       103.9452 146.5089 6.808474 157.4566 6.760052 -10.94766      9.594459 
1 1 1 9   3  5  o 210.4771 4.939431 2169.444       101.7626 2130.139       123.3976 2253.000       179.9161 208.4424 6.054452 214.1891 8.599046 -5.746674      10.51665 
1 1 1 9   3  6  o 828.1122 17.76184 33823.45       1439.737 34197.92       1777.865 33110.00       2454.005 830.7491 21.88271 812.4522 30.91466 18.29688       37.87571 
1 1 1 9   3  7  o 371.0162 9.986920 6758.510       362.3561 6758.510       362.3561 0.000000       0.000000 371.0162 9.986920 ?        ?        ?              ?        
1 1 1 9   3  8  o 189.9491 5.638363 1768.815       104.7166 1768.815       104.7166 0.000000       0.000000 189.9491 5.638363 ?        ?        ?              ?        
1 1 1 9   3  9  o 337.6689 9.161091 5596.593       302.5123 5596.593       302.5123 0.000000       0.000000 337.6689 9.161091 ?        ?        ?              ?        
1 1 1 9   3  10 o 228.8576 4.607775 2564.803       103.2197 2555.145       145.9555 2574.466       145.9940 228.2672 6.539111 229.1309 6.516083 -0.8637238     9.231430 
1 1 1 9   3  11 o 508.2853 9.504935 12676.03       472.8930 12828.23       674.7807 12529.13       662.9205 510.4970 13.51591 504.5237 13.43570 5.973328       19.05775 
1 1 1 9   3  12 o 223.6246 4.542247 2448.938       99.42521 2464.909       141.6333 2433.421       139.6056 224.1906 6.460928 222.7564 6.409412 1.434128       9.100778 
1 1 1 9   3  13 o 400.5357 7.586279 7865.697       297.4242 7981.564       425.4429 7754.937       415.9601 402.9624 10.79598 397.2102 10.70832 5.752197       15.20596 
1 1 1 9   3  14 f 356.1643 7.870484 6221.484       274.3835 5916.000       461.0648 6388.999       341.4236 346.3184 13.62790 360.6036 9.681672 -14.28525      16.71689 
1 1 1 9   3  15 o 254.0404 5.856769 3162.684       145.6355 3053.000       248.7654 3219.879       179.6370 249.0525 10.22628 256.1430 7.171911 -7.090515      12.49052 
1 1 1 9   3  16 o 273.2428 6.231764 3660.215       166.6732 3526.000       283.6137 3731.022       205.9994 267.5115 10.85378 275.6510 7.642220 -8.139435      13.27434 
1 1 1 9   3  17 o 208.9034 4.344953 2137.799       88.84576 2206.912       128.1093 2073.755       123.3212 212.0643 6.178317 205.5655 6.135751 6.498825       8.707414 
1 1 1 9   3  18 o 57.88894 3.381827 164.6707       19.07909 154.1046       26.40663 176.2105       27.59651 55.86563 4.877929 59.77843 4.755490 -3.912800      6.812407 
1 1 1 9   3  19 o 133.9055 3.366396 878.7233       44.08852 892.5945       63.03951 865.4423       61.68375 134.8682 4.782832 132.8007 4.752971 2.067520       6.742864 
1 1 1 9   3  20 o 137.2081 3.872130 923.0624       51.95189 1013.000       91.07822 879.6867       63.25102 143.5130 6.500492 133.8730 4.834841 9.639984       8.101363 
1 1 1 9   3  21 o 157.5521 4.143263 1217.258       63.84044 1081.000       101.8910 1305.321       81.91225 148.1779 7.045177 163.0710 5.138169 -14.89310      8.719822 
1 1 1 9   3  22 o 223.8466 5.339843 2458.007       116.9998 0.000000       0.000000 2458.007       116.9998 ?        ?        223.8466 5.339843 ?              ?        
1 1 1 9   3  23 o 98.31371 3.543984 474.1924       34.04874 447.6000       54.87635 490.8378       43.41645 95.30231 5.911790 99.95840 4.448546 -4.656090      7.398570 
1 1 1 9   3  24 o 162.9650 3.687717 1301.475       58.82450 1336.042       83.59307 1267.567       82.79351 164.9285 5.184515 160.6322 5.272863 4.296326       7.394747 
1 1 1 9   3  25 o 159.9351 3.669982 1253.614       57.45316 1282.719       81.41417 1224.741       81.08890 161.5912 5.153851 157.8816 5.254474 3.709641       7.360141 
1 1 1 9   3  26 o 221.8935 4.577173 2415.218       99.41411 2365.653       138.1165 2468.503       143.2073 219.2666 6.442255 223.9683 6.539397 -4.701660      9.179671 
1 1 1 9   3  27 o 69.07447 3.434745 234.4096       23.15015 219.5202       31.06848 252.9964       34.71225 66.71348 4.789608 71.62327 4.982400 -4.909790      6.911198 
1 1 1 9   3  28 o 150.3245 3.582873 1107.762       52.71904 1094.261       72.67029 1122.760       76.59651 149.2095 4.982688 151.1156 5.186059 -1.906067      7.191828 
1 1 1 9   3  29 o 214.6060 6.314531 2268.456       132.5002 2268.456       132.5002 0.000000       0.000000 214.6060 6.314531 ?        ?        ?              ?        
1 1 1 9   3  30 o 222.3662 5.301592 2430.673       115.3935 2367.249       138.7425 2573.000       207.8374 219.1155 6.476001 227.5470 9.351319 -8.431488      11.37479 
1 1 1 9   3  31 o 91.13318 4.274613 408.6740       38.02486 394.2000       51.44752 426.1000       56.45058 89.27774 5.920735 92.78089 6.252404 -3.503151      8.610904 
1 1 1 9   3  32 o 86.72617 3.661133 369.7709       31.00944 344.2150       36.14674 441.0000       60.34652 83.58005 4.434220 94.28494 6.580186 -10.70490      7.934806 
1 1 1 9   3  33 o 58.74710 4.179571 170.4701       23.87694 180.6272       28.11646 144.2000       45.21758 60.39570 4.795412 53.06352 9.028790 7.332176       10.22326 
1 1 1 9   3  34 o 106.9199 3.234443 561.6724       33.81150 618.3731       48.63503 508.6336       47.03832 112.0029 4.445056 101.5094 4.747272 10.49348       6.503469 
1 1 1 9   3  35 o 61.59145 3.507048 187.0328       21.05571 196.2358       28.68637 176.2835       31.00290 62.91533 4.691926 59.48769 5.382564 3.427631       7.140460 
1 1 1 9   3  36 f 35.34681 5.576309 63.34792       18.65429 91.23000       27.88466 40.76151       25.09727 42.24123 6.988212 28.26013 8.433773 13.98111       10.95279 
1 1 1 9   3  37 o 62.91316 3.883328 195.7665       23.79742 189.4000       36.65140 200.4067       31.29016 61.38359 6.184240 63.42347 5.082759 -2.039875      8.004952 
1 1 1 9   3  38 o 115.3447 3.301683 655.4323       37.23851 667.2473       52.37836 643.3569       52.95276 116.0179 4.621583 113.8742 4.761198 2.143646       6.635363 
1 1 1 9   3  39 o 41.07756 5.888718 85.86914       23.00097 97.58000       44.34494 81.55897       26.90278 42.44625 10.68293 39.65808 7.195323 2.788174       12.88013 
1 1 1 9   3  40 o 25.73330 7.948294 33.89326       22.03087 59.08000       44.68000 25.80254       25.32333 33.88918 11.39709 23.91418 8.549752 9.974993       14.24752 
1 1 1 9   3  41 o 69.59528 3.538542 239.7827       24.02606 243.8701       33.15176 235.2608       34.86924 69.83212 4.880765 68.47024 5.242642 1.361877       7.162902 
1 1 1 9   3  42 o 70.35871 3.595787 245.3068       24.68172 254.1318       34.25874 235.7827       35.58973 71.23037 4.944290 68.46282 5.353383 2.767548       7.287298 
1 1 1 9   3  43 o 84.09098 3.474391 350.1983       28.53632 367.0776       40.50307 333.5613       40.21140 85.62450 4.852493 81.52740 5.063942 4.097099       7.013573 
1 1 1 9   3  44 o 15.42425 6.574973 0.9903156      17.46988 -7.638873      23.98258 10.74555       25.49939 16.40517 7.325706 20.23804 8.223927 -3.832869      11.01358 
1 1 1 9   3  45 o 30.87233 6.576367 50.50313       19.26395 60.70645       27.07902 40.04834       27.41068 33.36045 8.320936 27.53653 8.912543 5.823921       12.19309 
1 1 1 9   3  46 o 17.24168 7.049691 7.153800       18.87735 8.758221       24.84610 4.963000       29.03357 19.45541 8.035305 19.95665 8.490545 -0.5012379     11.68997 
1 1 1 9   3  47 o 23.35852 7.228997 28.83642       18.21338 26.64663       25.22087 31.22308       26.33015 23.53896 8.517644 24.86035 8.734371 -1.321398      12.19998 
1 1 1 9   3  48 o 13.69781 6.359758 -15.34191      20.46019 -14.81309      22.59533 -17.75000      48.21703 14.63182 6.754736 21.82759 9.999719 -7.195777      12.06735 
1 1 1 9   3  49 o 39.80141 5.121611 81.74465       19.49118 100.3740       26.50001 59.78859       28.76896 43.58332 6.402550 32.50492 8.819536 11.07840       10.89848 
1 1 1 9   3  50 o 39.25402 5.032252 79.59722       18.89121 52.31731       25.33400 113.7652       28.35252 30.50066 8.276525 46.34451 6.422509 -15.84385      10.47614 
1 1 1 9   3  51 o 76.47256 3.510252 292.8355       26.20537 315.0320       36.30241 268.6844       37.86707 78.60261 4.740404 72.13785 5.402040 6.464760       7.187035 
1 1 1 9   3  52 o 22.94336 7.156341 28.45697       17.81030 14.16153       24.07701 45.73196       26.46748 20.01575 8.041968 28.33846 8.704638 -8.322710      11.85091 
1 1 1 9   3  53 o 33.36012 6.393543 60.31152       20.11772 41.49000       30.19851 75.32942       26.97508 27.13838 9.365103 36.61772 7.767034 -9.479338      12.16684 
1 1 1 9   3  54 o 31.66598 7.670294 56.70285       23.52025 39.93000       51.54987 61.11252       26.43184 28.41214 11.63711 32.58442 8.273523 -4.172276      14.27843 
1 1 1 9   3  55 o 20.55482 7.844682 19.09447       21.94005 58.86000       49.84213 9.537311       24.43473 31.12546 11.83696 18.99656 7.917674 12.12890       14.24090 
1 1 1 9   3  56 o 19.58740 7.090415 18.67509       17.47899 27.16528       25.03083 10.59516       24.41860 23.03632 8.462454 19.18087 7.947986 3.855450       11.60963 
1 1 1 9   3  57 o 49.94754 4.440960 128.0463       21.48573 138.4199       30.48023 117.8008       30.29148 50.83504 6.257497 46.45217 6.868894 4.382874       9.291822 
1 1 1 9   3  58 o 61.48208 4.288555 193.2976       25.64686 211.9185       33.21423 165.8000       40.36192 63.62056 5.384107 54.33950 7.812704 9.281055       9.488253 
1 1 1 9   3  59 o 17.64848 7.037119 11.40837       18.29277 37.00262       25.36399 -16.33479      26.40732 25.45459 8.587182 15.47010 7.197077 9.984494       11.20436 
1 1 1 9   3  60 o 18.43783 7.637043 10.34506       22.53288 2.585350       25.21495 41.11000       50.20690 17.71024 7.724653 27.60108 11.41313 -9.890844      13.78150 
1 1 1 9   3  61 f 17.37885 6.984291 10.99621       18.16519 5.070439       25.90458 16.72915       25.47960 18.23508 7.892457 20.33532 8.236362 -2.100243      11.40739 
1 1 1 9   4  0  o 86.57147 3.816206 367.6469       32.25852 423.0000       49.82525 327.7000       42.32722 92.76817 5.511967 81.62457 5.326868 11.14359       7.665331 
1 1 1 9   4  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   4  2  o 739.7451 15.89774 26952.30       1151.128 26664.30       1401.286 27550.00       2018.680 734.3561 19.51187 742.5851 27.82170 -8.229004      33.98176 
1 1 1 9   4  3  o 216.3098 5.051106 2291.423       106.9471 2323.387       132.2433 2231.000       181.8204 217.6894 6.212618 213.1260 8.734160 4.563370       10.71831 
1 1 1 9   4  4  o 727.5024 15.61286 26059.25       1111.791 26358.60       1373.349 25490.00       1893.843 730.2908 19.22902 714.7101 27.12043 15.58069       33.24564 
1 1 1 9   4  5  o 347.4991 7.648868 5918.484       260.1699 5889.267       317.6753 5978.000       453.3989 346.3886 9.378068 348.4812 13.31664 -2.092560      16.28745 
1 1 1 9   4  6  o 596.8582 15.80502 17555.35       922.5504 17555.35       922.5504 0.000000       0.000000 596.8582 15.80502 ?        ?        ?              ?        
1 1 1 9   4  7  o 353.0522 9.538095 6118.805       329.3129 6118.805       329.3129 0.000000       0.000000 353.0522 9.538095 ?        ?        ?              ?        
1 1 1 9   4  8  o 603.8830 15.97404 17977.74       943.3918 17977.74       943.3918 0.000000       0.000000 603.8830 15.97404 ?        ?        ?              ?        
1 1 1 9   4  9  o 248.0659 5.691074 3014.280       138.1871 2944.952       166.7977 3166.000       246.7489 245.0459 6.961079 253.8147 9.951182 -8.768784      12.14424 
1 1 1 9   4  10 o 208.5711 4.959149 2130.475       101.2436 2109.296       123.4427 2174.000       176.9606 207.4075 6.087023 210.3732 8.611900 -2.965790      10.54593 
1 1 1 9   4  11 o 158.1036 3.543405 1223.815       54.83639 1207.436       77.73719 1240.038       77.36488 156.9310 5.067382 159.0427 4.975749 -2.111710      7.101861 
1 1 1 9   4  12 o 375.4791 7.136371 6910.577       262.2825 6956.228       372.8784 6865.871       368.9991 376.2891 10.13292 373.8410 10.09322 2.448090       14.30207 
1 1 1 9   4  13 o 300.0608 5.825664 4411.346       171.1043 4437.042       243.2934 4386.198       240.6838 300.6528 8.275077 298.9284 8.233553 1.724426       11.67340 
1 1 1 9   4  14 o 76.17237 3.021521 284.5085       22.48365 295.6707       32.97635 274.8119       30.73518 77.57736 4.360264 74.79188 4.215378 2.785484       6.064760 
1 1 1 9   4  15 o 453.3432 9.875231 10098.16       438.2083 9860.000       748.0292 10222.60       540.7020 445.8759 17.17161 455.5120 12.13778 -9.636108      21.02831 
1 1 1 9   4  16 o 127.3161 3.827289 794.5536       47.64173 826.5000       88.49009 781.5140       56.53469 129.6204 7.000508 126.2229 4.583448 3.397499       8.367504 
1 1 1 9   4  17 o 183.5020 4.628045 1650.837       83.06112 1578.000       144.2041 1687.000       101.6098 179.0657 8.249494 185.4286 5.604690 -6.362839      9.973299 
1 1 1 9   4  18 o 51.97536 4.570209 133.3891       23.01438 101.8000       48.54369 142.5479       26.13865 44.58310 11.15284 53.69568 5.031838 -9.112576      12.23541 
1 1 1 9   4  19 o 150.4570 3.535678 1108.791       52.07043 1141.684       75.18671 1078.475       72.18256 152.5261 5.042992 148.2439 4.981573 4.282166       7.088571 
1 1 1 9   4  20 o 406.6669 7.724641 8128.240       307.4846 7671.000       589.2186 8299.361       360.4590 392.3267 15.37319 410.6230 8.968223 -18.29636      17.79786 
1 1 1 9   4  21 o 62.80424 3.342597 193.7544       20.47445 211.4000       34.90522 184.4985       25.28032 65.41717 5.502152 61.20974 4.245763 4.207428       6.949833 
1 1 1 9   4  22 o 119.1271 3.260693 695.6774       37.98552 685.0000       70.32023 700.0767       45.13757 117.9652 6.110869 119.4640 3.865154 -1.498795      7.230639 
1 1 1 9   4  23 o 162.5889 3.712177 1295.401       59.07800 1302.000       114.7884 1293.024       68.90454 162.5587 7.232196 162.3445 4.340041 0.2141876      8.434489 
1 1 1 9   4  24 o 129.3077 3.866057 820.2516       48.87770 853.9000       82.13023 801.7988       60.82087 131.6719 6.391503 127.7545 4.872669 3.917351       8.037052 
1 1 1 9   4  25 o 73.51418 4.355305 265.9422       31.19933 272.6000       42.06347 257.8000       46.51690 74.27422 5.832523 72.10789 6.665982 2.166328       8.857407 
1 1 1 9   4  26 o 185.4948 5.675630 1691.553       102.9297 1601.000       139.7258 1799.000       152.2023 180.0668 7.947088 190.8510 8.166305 -10.78426      11.39494 
1 1 1 9   4  27 o 306.1655 5.979825 4607.117       179.2054 4547.074       250.4844 4670.075       256.4916 303.4132 8.442331 307.4631 8.530882 -4.049927      12.00204 
1 1 1 9   4  28 o 152.2774 4.112555 1138.202       61.24289 1127.605       74.12257 1161.000       108.7175 151.4595 5.006626 153.3245 7.264717 -1.865082      8.822835 
1 1 1 9   4  29 o 148.0628 4.077396 1076.252       59.03662 1078.814       72.01358 1071.000       103.0933 148.1275 4.973806 147.2245 7.175534 0.9029541      8.730809 
1 1 1 9   4  30 o 133.7152 3.887288 877.9272       50.82443 883.8874       61.74233 865.4000       89.51193 134.0663 4.712302 132.2853 6.937188 1.780930       8.386320 
1 1 1 9   4  31 o 163.6930 4.322700 1316.771       69.20081 1269.278       82.33945 1431.000       127.6968 160.5563 5.246358 169.9117 7.698037 -9.355362      9.315796 
1 1 1 9   4  32 o 180.8912 4.597407 1609.619       81.33630 1604.240       98.70161 1621.000       143.5772 180.3678 5.597383 180.5550 8.144967 -0.1871948     9.882874 
1 1 1 9   4  33 o 61.82641 3.486402 188.2373       21.01331 211.3989       28.79320 161.8436       30.73652 65.40127 4.525683 57.01865 5.578502 8.382618       7.183418 
1 1 1 9   4  34 o 71.86385 3.243252 254.0496       22.75500 258.3357       31.10569 249.1154       33.37487 72.31281 4.415641 70.93909 4.835393 1.373726       6.548199 
1 1 1 9   4  35 o 161.5971 3.738432 1284.294       59.13289 1276.766       82.37981 1292.296       84.93163 160.6611 5.245495 161.5930 5.377075 -0.9319000     7.511868 
1 1 1 9   4  36 o 80.70524 3.206420 320.6059       25.27919 308.3117       34.44676 334.9545       37.21369 78.92442 4.477296 82.24055 4.641699 -3.316132      6.449151 
1 1 1 9   4  37 o 38.49672 5.113077 74.64715       18.79095 50.45000       27.02959 97.28034       26.14149 31.08829 8.594975 43.76378 6.282400 -12.67549      10.64623 
1 1 1 9   4  38 o 36.04716 5.524913 66.06256       18.87361 78.74000       27.43615 54.67407       26.00402 38.91806 7.473820 32.22757 8.218896 6.690487       11.10893 
1 1 1 9   4  39 o 83.36064 3.264722 342.7937       26.58722 346.1223       36.59133 339.0710       38.69697 83.47252 4.495039 82.52672 4.811314 0.9458008      6.584384 
1 1 1 9   4  40 f 67.59035 4.429699 227.4479       29.14507 234.8000       54.80101 224.5482       34.41593 67.19723 8.523113 66.91325 5.297823 0.2839737      10.03546 
1 1 1 9   4  41 o 23.27774 8.077603 25.56712       22.47902 -42.26000      46.11688 46.70455       25.74449 19.80045 9.308073 29.70693 8.451785 -9.906481      12.57270 
1 1 1 9   4  42 o 28.38147 6.486710 42.25236       17.62597 35.49813       23.45329 51.01812       26.71842 26.23874 8.216358 30.91083 8.545145 -4.672087      11.85445 
1 1 1 9   4  43 o 64.30518 3.723372 205.4459       23.33605 207.2728       32.33177 203.4593       33.71607 64.14451 5.193875 63.44545 5.482882 0.6990623      7.552372 
1 1 1 9   4  44 o 32.81319 6.093423 56.16688       18.85082 37.79360       25.54199 78.14715       27.93688 26.89645 8.593838 38.26562 7.725192 -11.36916      11.55563 
1 1 1 9   4  45 o 105.4978 3.846510 554.3671       39.65415 569.4771       50.16499 529.2000       64.74202 106.3972 4.829456 101.4062 6.557685 4.990997       8.144133 
1 1 1 9   4  46 o 46.88439 4.618954 111.4694       20.92219 129.5924       28.85822 91.38845       30.37706 50.01153 6.015775 41.08633 7.839338 8.925205       9.881537 
1 1 1 9   4  47 o 20.72691 7.777319 18.55662       21.35156 28.93241       23.46353 -31.42000      51.49515 23.89038 8.254503 21.43550 9.998378 2.454876       12.96551 
1 1 1 9   4  48 o 33.57399 5.979402 59.48532       18.92970 43.16559       24.98486 81.47744       29.00373 27.97395 8.430237 38.50280 7.958980 -10.52885      11.59372 
1 1 1 9   4  49 o 43.12161 4.747697 95.12664       19.70817 119.6177       27.14943 67.84476       28.65456 47.87542 5.919477 34.74856 8.496657 13.12686       10.35536 
1 1 1 9   4  50 o 42.08426 4.882700 91.09885       19.74055 104.8573       26.82998 74.85964       29.14865 44.49474 6.339452 36.48456 8.343940 8.010181       10.47903 
1 1 1 9   4  51 o 72.46239 3.572403 263.2329       25.26030 231.5687       34.15047 301.4865       37.53596 67.03644 5.246266 76.68766 5.028265 -9.651222      7.266826 
1 1 1 9   4  52 o 15.16820 6.458822 2.312320       16.82606 22.55077       23.10390 -20.54543      24.55349 21.78620 8.107145 14.50873 6.811437 7.277465       10.58874 
1 1 1 9   4  53 o 28.07601 7.976119 44.75019       22.94496 48.70000       49.00547 43.64118       25.96712 29.65097 11.61271 27.63293 8.644389 2.018038       14.47690 
1 1 1 9   4  54 o 38.11229 5.738752 77.07609       20.74510 92.72000       31.94019 65.66152       27.28315 40.26196 8.377735 33.77619 8.310151 6.485767       11.80021 
1 1 1 9   4  55 o 38.97699 5.721538 80.67704       21.17925 96.04000       31.96440 68.65387       28.27733 41.00371 8.250140 34.39469 8.458939 6.609020       11.81603 
1 1 1 9   4  56 f 15.96484 7.106530 -3.668681      22.38404 6.817000       47.28679 -6.696815      25.41143 23.42602 10.38389 16.50857 7.442499 6.917448       12.77560 
1 1 1 9   4  57 o 35.88506 6.206419 69.62227       21.01161 42.29093       26.63023 114.7000       34.19994 27.07734 8.786395 44.97561 8.064869 -17.89827      11.92656 
1 1 1 9   4  58 o 17.06904 6.908784 9.372873       17.91403 21.31132       25.10460 -3.012652      25.57035 21.55435 8.348396 17.05256 7.592813 4.501789       11.28479 
1 1 1 9   4  59 o 24.35186 8.369963 33.17884       24.11357 48.14042       27.20859 -21.59000      52.05758 28.46861 8.839767 21.27754 9.966411 7.191076       13.32182 
1 1 1 9   4  60 o 34.73983 6.078421 65.83602       19.91681 59.48777       28.24612 72.11330       28.08779 31.34638 8.830772 34.92054 8.333628 -3.574158      12.14215 
1 1 1 9   4  61 o 22.65767 7.447749 28.92328       19.10426 13.71047       27.63959 42.83963       26.43561 20.13713 8.409102 26.70254 8.760152 -6.565418      12.14303 
1 1 1 9   5  0  o 497.5631 10.75697 12151.36       523.8952 12757.87       663.8588 11150.00       853.0006 509.2652 13.32904 474.9638 18.38245 34.30145       22.70634 
1 1 1 9   5  1  o 291.6404 6.522797 4167.079       186.2035 4238.020       230.8557 4035.000       314.9982 293.9230 8.031711 286.4628 11.25589 7.460236       13.82763 
1 1 1 9   5  2  o 327.2067 7.237123 5246.682       231.7898 5410.776       289.9237 4956.000       385.8755 332.0524 8.928225 317.3694 12.44568 14.68295       15.31692 
1 1 1 9   5  3  o 256.4844 7.159349 3226.147       179.5625 3280.000       257.2759 3175.000       250.7300 258.3494 10.19386 254.1840 10.09757 4.165375       14.34837 
1 1 1 9   5  4  o 471.5139 10.21629 10909.12       471.5132 10743.89       571.8549 11260.00       833.3359 467.4627 12.50902 477.4428 17.86319 -9.980103      21.80755 
1 1 1 9   5  5  o 286.4672 7.892861 4025.596       221.1065 4025.596       221.1065 0.000000       0.000000 286.4672 7.892861 ?        ?        ?              ?        
1 1 1 9   5  6  o 369.6195 9.954103 6707.944       359.8054 6707.944       359.8054 0.000000       0.000000 369.6195 9.954103 ?        ?        ?              ?        
1 1 1 9   5  7  o 267.0817 7.433050 3498.807       194.1310 3498.807       194.1310 0.000000       0.000000 267.0817 7.433050 ?        ?        ?              ?        
1 1 1 9   5  8  o 362.4445 7.973108 6440.068       282.8625 6362.627       343.9112 6602.000       497.3109 359.9755 9.769422 366.0853 13.90367 -6.109863      16.99275 
1 1 1 9   5  9  o 110.0773 3.449846 593.7971       37.12506 569.1915       45.21621 644.7000       65.03504 107.7302 4.296574 114.5733 5.818108 -6.843086      7.232629 
1 1 1 9   5  10 o 91.88799 3.377501 413.9229       30.32640 389.8869       37.06504 462.6000       52.74685 89.13023 4.260817 97.01959 5.577830 -7.889366      7.019027 
1 1 1 9   5  11 o 136.7180 3.851795 915.9305       51.49464 866.9186       61.90677 1026.000       92.77293 132.9619 4.764392 144.5476 6.574193 -11.58577      8.119079 
1 1 1 9   5  12 o 460.0332 8.642926 10381.79       389.1851 10450.05       553.1743 10314.88       547.6488 460.8341 12.27434 457.8506 12.23098 2.983551       17.32790 
1 1 1 9   5  13 o 89.04864 2.973957 388.6383       25.88561 377.2549       37.55812 398.9383       35.72612 87.65838 4.391263 90.16833 4.058261 -2.509956      5.979354 
1 1 1 9   5  14 o 234.0830 4.724788 2684.026       108.2576 2683.424       153.4802 2684.623       152.7214 233.8595 6.711824 233.9148 6.676987 -0.5534363E-01 9.467352 
1 1 1 9   5  15 o 278.8589 5.477303 3810.699       149.5056 3824.124       212.3320 3797.499       210.5451 279.0593 7.781026 278.0900 7.742413 0.9692688      10.97676 
1 1 1 9   5  16 o 197.0690 4.841662 1902.832       93.39401 2001.000       171.1071 1861.175       111.4619 201.6524 8.689179 194.7621 5.853408 6.890366       10.47684 
1 1 1 9   5  17 o 122.6271 3.797764 737.2236       45.52991 925.7000       93.26948 678.2599       52.16789 137.1763 6.969149 117.5704 4.541681 19.60587       8.318408 
1 1 1 9   5  18 o 193.1557 5.903219 1831.488       111.4789 1808.000       159.3546 1854.000       156.0086 191.5986 8.518305 194.0653 8.231555 -2.466736      11.84567 
1 1 1 9   5  19 o 185.0274 4.620254 1677.921       83.67738 0.000000       0.000000 1677.921       83.67738 ?        ?        185.0274 4.620254 ?              ?        
1 1 1 9   5  20 o 219.9680 4.516048 2371.621       97.23535 2361.000       190.5775 2375.358       113.0581 218.8228 8.916277 220.0835 5.248172 -1.260757      10.34617 
1 1 1 9   5  21 o 182.2099 3.946422 1626.875       70.38525 1663.000       138.7600 1614.360       81.67215 183.7412 7.732566 181.4094 4.603190 2.331741       8.998997 
1 1 1 9   5  22 o 301.9652 5.899738 4476.107       174.3797 5053.000       375.4678 4317.451       196.9038 319.0976 12.04267 296.4210 6.786393 22.67664       13.82321 
1 1 1 9   5  23 o 148.2093 4.051506 1077.495       58.72061 1064.000       96.86153 1085.336       73.83569 146.9805 6.750664 148.6515 5.081944 -1.670990      8.449711 
1 1 1 9   5  24 o 134.9724 3.405868 893.1944       44.96057 833.5000       81.76662 919.0651       53.82863 130.0735 6.442202 136.8664 4.022368 -6.792831      7.594828 
1 1 1 9   5  25 o 107.6077 3.161612 567.8038       33.26495 524.4343       44.04987 625.3583       50.74481 103.3195 4.365519 112.8178 4.604913 -9.498291      6.345312 
1 1 1 9   5  26 o 254.7322 5.104237 3185.038       127.2685 3303.181       183.2164 3074.878       176.9184 258.9327 7.235979 249.8157 7.242788 9.117035       10.23804 
1 1 1 9   5  27 o 145.4782 4.911261 1040.005       69.83514 964.4000       93.80658 1134.000       104.5956 139.8074 6.875927 151.5968 7.068287 -11.78941      9.860987 
1 1 1 9   5  28 o 127.1671 3.784989 793.6835       47.06109 793.2484       57.15202 794.6000       82.94052 127.0468 4.603416 126.8614 6.703091 0.1853790      8.131597 
1 1 1 9   5  29 o 188.0800 4.070307 1735.431       74.93349 1780.225       106.4836 1691.487       105.4676 190.1832 5.726635 185.3609 5.820138 4.822266       8.165069 
1 1 1 9   5  30 o 268.1560 6.173777 3541.483       162.0484 3511.400       196.7149 3605.000       285.8397 266.4975 7.548761 268.5666 10.89600 -2.069061      13.25544 
1 1 1 9   5  31 o 124.7596 4.581089 765.8032       55.84840 765.8032       55.84840 0.000000       0.000000 124.7596 4.581089 ?        ?        ?              ?        
1 1 1 9   5  32 o 60.43575 4.062661 180.2093       23.89352 184.7414       27.66419 166.9000       47.40697 61.11789 4.659391 57.29892 8.727863 3.818974       9.893711 
1 1 1 9   5  33 o 154.8698 3.642142 1177.870       55.21153 1183.558       77.26772 1171.937       78.92030 154.9062 5.102889 154.1107 5.239402 0.7955322      7.313742 
1 1 1 9   5  34 f 91.95016 3.211606 415.6069       28.86115 438.5988       39.84350 390.2251       41.86300 94.29706 4.328256 88.84602 4.831966 5.451042       6.487041 
1 1 1 9   5  35 o 108.4410 3.249260 578.2402       34.45038 577.8622       47.18904 578.6717       50.41079 108.1802 4.466035 108.1885 4.772061 -0.8338928E-02 6.535904 
1 1 1 9   5  36 o 192.7736 4.182773 1832.180       78.92562 1841.823       111.1227 1822.362       112.1193 192.4946 5.904620 191.4306 5.990980 1.063904       8.411681 
1 1 1 9   5  37 o 62.04392 3.519101 190.1209       21.28398 197.4127       29.03175 181.6474       31.29578 62.99746 4.742913 60.27797 5.360052 2.719490       7.157191 
1 1 1 9   5  38 o 53.88858 4.235451 144.4111       22.16157 141.6000       32.73164 146.7907       30.11411 52.80806 6.467116 53.96893 5.791063 -1.160862      8.681014 
1 1 1 9   5  39 o 53.50714 4.281169 142.5756       22.23539 150.1000       32.51244 135.9637       30.47731 54.40778 6.216390 51.77514 6.132750 2.632645       8.732361 
1 1 1 9   5  40 o 33.50120 5.582765 57.49658       17.66303 38.95497       23.05119 83.86547       27.48941 27.34046 8.063571 40.12349 7.266876 -12.78304      10.85489 
1 1 1 9   5  41 o 17.08617 7.348330 -0.3148133     22.17876 -19.36000      46.76749 5.211211       25.19172 22.12642 10.02416 19.18356 8.020754 2.942863       12.83808 
1 1 1 9   5  42 o 88.51721 4.136060 389.5370       35.73702 399.4000       66.56322 385.5427       42.35984 87.91466 7.816522 87.76675 4.950881 0.1479034      9.252526 
1 1 1 9   5  43 f 68.42332 3.652011 232.4232       24.37061 256.6669       34.15101 207.2662       34.78833 71.51498 4.908422 63.98141 5.611627 7.533569       7.455398 
1 1 1 9   5  44 o 85.32930 3.858000 362.3425       32.13970 382.8815       41.17136 330.3000       51.42432 87.31127 4.836362 80.18511 6.610588 7.126160       8.190866 
1 1 1 9   5  45 o 26.24619 6.966436 36.82648       18.19282 74.35121       25.23647 -3.774562      26.25055 37.36906 7.159941 17.72601 7.802170 19.64305       10.58955 
1 1 1 9   5  46 o 82.68797 4.186801 343.0143       33.77654 350.7701       38.84988 319.0000       68.36132 83.31101 4.784220 76.15859 9.367456 7.152420       10.51846 
1 1 1 9   5  47 o 22.69502 7.212779 26.96174       18.01163 42.95705       23.75779 5.341388       27.62110 27.98229 8.168185 19.52868 8.293934 8.453602       11.64082 
1 1 1 9   5  48 o 35.68870 5.676019 66.63155       19.16479 57.92095       25.96357 77.05894       28.40718 32.25277 8.205635 37.38020 8.005177 -5.127422      11.46365 
1 1 1 9   5  49 o 30.88946 6.259088 51.01068       18.27554 42.67627       24.56679 61.33843       27.34725 27.75343 8.358440 33.04057 8.429706 -5.287132      11.87112 
1 1 1 9   5  50 o 60.60736 3.864353 184.8805       22.80554 207.0435       31.75309 161.2680       32.77500 63.48664 5.154014 55.43223 6.143538 8.054409       8.019159 
1 1 1 9   5  51 o 19.02429 7.015018 16.41981       17.22729 20.75185       23.57413 11.45510       25.23691 21.49160 8.148242 19.79156 8.128308 1.700041       11.50927 
1 1 1 9   5  52 o 57.33249 5.861874 172.5591       32.43353 0.000000       0.000000 172.5591       32.43353 ?        ?        57.33249 5.861874 ?              ?        
1 1 1 9   5  53 o 22.97320 7.083803 28.81668       17.50793 21.75176       23.95368 36.91989       25.65352 21.63671 8.211190 25.74222 8.635773 -4.105505      11.91638 
1 1 1 9   5  54 o 31.88284 6.115007 54.87574       18.38953 55.08578       25.59153 54.65149       26.44282 30.92756 8.286758 30.71357 8.504936 0.2139950      11.87452 
1 1 1 9   5  55 o 55.46824 4.595909 158.0742       24.72916 170.2000       38.20584 149.3313       32.44155 55.77891 7.162796 52.75326 6.414372 3.025650       9.615083 
1 1 1 9   5  56 o 24.99237 8.103793 35.00852       22.65565 47.00000       31.46574 22.10000       32.64674 28.31550 9.564459 23.07553 9.331431 5.239971       13.36243 
1 1 1 9   5  57 o 16.26052 7.257713 -4.098122      23.51049 -76.05000      45.88962 21.50907       27.37628 16.38753 8.071552 22.04289 8.665637 -5.655359      11.84243 
1 1 1 9   5  58 o 32.62664 7.827712 61.07302       24.67790 37.04755       27.68178 154.1000       54.47063 25.63836 8.959599 48.67106 11.59892 -23.03270      14.65637 
1 1 1 9   5  59 o 34.65514 6.601192 66.30495       21.57471 47.72350       27.96623 93.62000       33.90744 28.29568 8.986978 39.61760 8.955038 -11.32192      12.68694 
1 1 1 9   5  60 o 33.68523 6.307187 62.51024       20.03198 55.44181       28.54483 69.36933       28.11897 30.15242 8.993424 34.10812 8.462947 -3.955700      12.34922 
1 1 1 9   5  61 o 32.30363 6.502438 58.35311       19.84812 60.40134       28.44726 56.41018       27.70636 31.32430 8.875148 30.31331 8.812972 1.010994       12.50747 
1 1 1 9   6  0  f 337.1689 6.448502 5569.558       212.8201 5582.681       301.7711 5556.573       300.1812 337.2660 9.149563 336.4786 9.122643 0.7873535      12.92041 
1 1 1 9   6  1  o 203.5192 4.831954 2028.336       96.25747 2111.722       121.2172 1886.000       158.3706 207.5429 5.973130 195.9647 8.275023 11.57828       10.20560 
1 1 1 9   6  2  o 518.1155 11.17861 13179.05       566.9187 13244.99       696.8691 13050.00       974.8685 518.8197 13.73443 513.6033 19.42654 5.216370       23.79128 
1 1 1 9   6  3  o 201.6564 5.900195 1993.656       116.3369 1993.656       116.3369 0.000000       0.000000 201.6564 5.900195 ?        ?        ?              ?        
1 1 1 9   6  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   6  5  o 441.4199 11.77412 9577.007       508.2749 9577.007       508.2749 0.000000       0.000000 441.4199 11.77412 ?        ?        ?              ?        
1 1 1 9   6  6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   6  7  o 162.1575 4.161272 1288.357       65.99490 1268.729       80.69575 1328.000       114.6802 160.8694 5.131292 164.4594 7.141016 -3.589935      8.793422 
1 1 1 9   6  8  o 399.2811 8.732813 7818.744       341.3022 7729.424       415.1494 8005.000       599.4958 396.6443 10.70272 402.8736 15.22979 -6.229279      18.61437 
1 1 1 9   6  9  o 237.9358 5.506557 2773.115       128.2467 2756.395       156.7260 2807.000       223.1109 237.0699 6.760862 238.9897 9.556787 -1.919861      11.70647 
1 1 1 9   6  10 o 244.4091 5.640362 2926.297       134.9368 2838.995       162.2666 3122.000       242.9489 240.5814 6.897780 252.0149 9.867855 -11.43346      12.03968 
1 1 1 9   6  11 o 278.7222 6.311471 3806.764       172.1902 3776.943       209.9727 3868.000       300.8857 277.4348 7.739630 280.3915 10.98428 -2.956696      13.43712 
1 1 1 9   6  12 f 405.4505 8.867952 8066.564       351.9390 8032.451       429.7845 8136.000       613.1617 404.1821 10.87332 405.8236 15.46418 -1.641510      18.90423 
1 1 1 9   6  13 o 242.3852 4.859317 2877.839       115.2889 2865.596       163.0005 2890.096       163.0859 241.6646 6.897858 242.6986 6.871956 -1.034042      9.736747 
1 1 1 9   6  14 o 150.5417 3.495527 1109.710       51.50812 1133.115       74.57587 1088.359       71.22647 151.9977 5.019393 148.9704 4.891302 3.027252       7.008505 
1 1 1 9   6  15 o 143.0896 3.440497 1002.601       48.18761 988.2089       69.14034 1016.195       67.19639 141.9293 4.984572 143.9412 4.775912 -2.011902      6.903282 
1 1 1 9   6  16 f 39.55534 4.252436 77.52818       16.20624 75.36157       23.35525 79.54018       22.50649 38.69334 6.389359 39.84270 5.953327 -1.149368      8.733042 
1 1 1 9   6  17 o 263.9027 7.486989 3422.136       193.2049 3242.000       266.0909 3623.000       280.9829 256.3349 10.62819 271.0059 10.61293 -14.67096      15.01974 
1 1 1 9   6  18 o 336.0788 7.484580 5547.649       246.2151 0.000000       0.000000 5547.649       246.2151 ?        ?        336.0788 7.484580 ?              ?        
1 1 1 9   6  19 o 195.7776 4.813540 1878.937       92.24305 0.000000       0.000000 1878.937       92.24305 ?        ?        195.7776 4.813540 ?              ?        
1 1 1 9   6  20 o 151.4394 5.026605 1125.805       74.40768 0.000000       0.000000 1125.805       74.40768 ?        ?        151.4394 5.026605 ?              ?        
1 1 1 9   6  21 o 146.8692 3.484302 1056.747       50.09021 1211.000       102.4466 1008.286       57.42199 156.8730 6.687142 143.3766 4.095804 13.49640       7.841777 
1 1 1 9   6  22 o 151.0635 3.549196 1118.119       52.48022 1187.000       102.9873 1093.958       60.99346 155.2662 6.792863 149.3318 4.176876 5.934418       7.974288 
1 1 1 9   6  23 o 235.5096 4.792289 2720.569       110.4734 2972.000       229.7073 2644.916       126.0022 245.1523 9.591164 232.1246 5.545627 13.02769       11.07901 
1 1 1 9   6  24 f 100.7002 3.197739 497.3126       31.47956 524.7000       56.58886 485.0395       37.88194 103.2231 5.621991 99.39819 3.901142 3.824936       6.842930 
1 1 1 9   6  25 o 94.05930 3.592673 434.2297       33.01615 427.0000       50.96768 439.4570       43.33838 93.07856 5.620401 94.52955 4.698533 -1.450989      7.325648 
1 1 1 9   6  26 o 124.9995 3.717084 766.5980       45.42909 770.0496       55.01517 759.2000       80.54404 125.2093 4.496197 124.0556 6.657396 1.153671       8.033475 
1 1 1 9   6  27 o 183.8069 4.593182 1657.885       82.63834 1687.589       101.6538 1600.000       141.9053 185.2410 5.612824 179.8935 8.079540 5.347549       9.837823 
1 1 1 9   6  28 o 124.7151 3.334190 762.9391       40.66548 773.2456       55.40860 750.9064       59.86943 125.4380 4.520146 123.5583 4.960331 1.879715       6.710932 
1 1 1 9   6  29 o 157.0574 4.240068 1211.431       65.12385 1195.261       77.58305 1250.000       119.8228 155.8857 5.091403 158.9087 7.726612 -3.023026      9.253265 
1 1 1 9   6  30 o 190.4134 4.732038 1781.333       88.19661 1734.639       105.4567 1890.000       160.8762 187.6432 5.748409 195.1422 8.442345 -7.499008      10.21359 
1 1 1 9   6  31 o 125.5310 3.930296 774.3253       48.23331 794.3000       83.27403 764.2408       59.16913 126.6535 6.741452 124.5776 4.861650 2.075935       8.311607 
1 1 1 9   6  32 o 68.73266 3.324424 232.3401       22.29954 241.6637       29.52655 219.9615       34.02163 69.98480 4.331480 66.62279 5.259702 3.362015       6.813676 
1 1 1 9   6  33 o 116.3625 3.804532 665.9787       43.27494 731.0848       53.09209 537.1000       74.69806 121.8128 4.460306 103.7387 7.405046 18.07413       8.644596 
1 1 1 9   6  34 o 188.6655 4.112297 1751.521       75.94219 1745.689       105.9233 1757.689       108.9370 187.7746 5.769847 188.3642 5.915748 -0.5896149     8.263607 
1 1 1 9   6  35 o 105.2339 3.243714 544.6501       33.37226 536.6929       45.36944 554.0312       49.26145 104.2353 4.457035 105.8389 4.767292 -1.603622      6.526273 
1 1 1 9   6  36 o 127.7233 3.413207 803.0231       42.63336 830.8959       59.86544 774.3400       60.72918 129.5818 4.727752 125.0149 4.972752 4.566902       6.861480 
1 1 1 9   6  37 o 53.44316 3.819216 141.5098       19.84726 137.1066       26.38321 147.2502       30.12378 52.32286 5.221087 54.10865 5.776961 -1.785782      7.786721 
1 1 1 9   6  38 o 16.17727 6.527892 6.154843       15.93877 6.676877       20.13741 5.279295       26.07919 17.86988 7.290807 19.58657 8.172921 -1.716696      10.95228 
1 1 1 9   6  39 o 17.62754 6.819824 10.46691       16.73903 14.73225       21.33288 3.633584       27.00155 20.17087 7.726162 19.54116 8.245121 0.6297073      11.29936 
1 1 1 9   6  40 o 26.86183 7.198494 37.84905       19.30941 43.56000       26.77516 31.66009       27.87318 28.87516 8.732536 25.80232 8.992266 3.072832       12.53467 
1 1 1 9   6  41 o 27.58806 7.142736 40.09114       19.43810 22.29000       26.47771 60.89981       28.62718 23.20370 8.670165 33.71724 8.636590 -10.51354      12.23775 
1 1 1 9   6  42 o 79.94338 3.484402 316.4868       27.20024 323.1422       37.53403 309.1261       39.47306 80.36555 4.793213 78.45806 5.168718 1.907486       7.049151 
1 1 1 9   6  43 o 19.62105 8.120450 7.551355       25.44682 11.92000       50.93118 6.098000       29.37624 26.53584 11.26587 20.51739 8.625261 6.018450       14.18855 
1 1 1 9   6  44 o 79.54295 3.523264 314.1862       27.36366 304.9959       37.68445 324.4365       39.79811 77.81461 4.973639 80.20958 5.095431 -2.394974      7.120429 
1 1 1 9   6  45 o 75.68914 4.312763 287.3198       31.81956 281.9365       36.20289 305.6000       66.71287 74.67491 4.981417 74.94107 9.293630 -0.2661591     10.54448 
1 1 1 9   6  46 o 14.82355 6.402396 -0.3116651     16.97537 0.5824612      22.43151 -1.510005      25.96864 17.07206 7.366573 17.89893 7.822459 -0.8268700     10.74510 
1 1 1 9   6  47 o 22.18088 7.158638 25.56275       17.69174 11.79911       23.96306 42.05388       26.23015 19.74004 7.990303 27.71698 8.690598 -7.976938      11.80557 
1 1 1 9   6  48 f 20.88525 7.228478 21.60035       17.99618 19.55216       24.61297 23.95313       26.37967 21.58466 8.290987 22.95707 8.638197 -1.372404      11.97326 
1 1 1 9   6  49 o 48.23367 4.468017 118.3008       20.85486 122.4690       28.98810 113.8289       30.02570 48.23063 6.290040 46.18121 6.849629 2.049412       9.299571 
1 1 1 9   6  50 o 12.17516 5.690444 -14.38651      16.81752 -22.88245      23.14902 -4.890690      24.47334 13.76845 6.509670 16.68201 7.427968 -2.913554      9.876766 
1 1 1 9   6  51 o 49.56125 4.739440 125.8976       22.71219 132.4000       34.57548 120.9622       30.12272 49.33850 7.386257 47.56942 6.650870 1.769081       9.939360 
1 1 1 9   6  52 o 38.96001 5.122663 79.09166       19.06251 56.68784       25.75485 106.2346       28.34828 31.47673 8.257802 44.34571 6.742956 -12.86898      10.66109 
1 1 1 9   6  53 o 42.80301 4.790982 94.75568       19.72869 77.40965       26.78762 115.3171       29.16490 37.16627 7.619495 46.20948 6.638282 -9.043213      10.10562 
1 1 1 9   6  54 o 42.79538 4.843127 94.83968       19.93137 89.92208       27.22826 100.5167       29.25520 40.42094 7.143064 42.71105 7.257121 -2.290108      10.18279 
1 1 1 9   6  55 o 15.98732 6.842042 2.712176       19.05279 17.81397       24.27235 -21.53000      30.75270 20.70235 8.153214 16.37300 7.666234 4.329355       11.19134 
1 1 1 9   6  56 o 14.24663 6.481780 -8.438107      19.81070 -35.14000      28.87849 15.29787       27.22746 14.42908 6.943412 20.75932 8.474656 -6.330243      10.95586 
1 1 1 9   6  57 o 42.30429 7.572016 100.3722       30.20333 87.09000       35.62820 134.3000       56.94254 37.89519 9.596670 44.27935 12.56035 -6.384155      15.80691 
1 1 1 9   6  58 o 42.39909 6.600090 98.02024       26.50019 92.65000       49.88493 100.1315       31.27863 36.99839 12.02713 41.97510 7.902788 -4.976707      14.39117 
1 1 1 9   6  59 o 47.16901 5.985753 119.4516       27.01494 149.3000       51.97593 108.4034       31.62183 47.87004 11.27902 43.72667 7.667547 4.143372       13.63846 
1 1 1 9   6  60 o 21.29320 7.736349 23.70887       20.83413 42.78999       27.10240 -3.855000      32.57436 26.77164 8.873885 18.65639 8.417179 8.115248       12.23089 
1 1 1 9   7  0  o 220.0993 4.455033 2372.103       95.97890 2379.793       136.5056 2364.584       134.9767 220.3079 6.336735 219.6055 6.285741 0.7024231      8.925511 
1 1 1 9   7  1  o 381.3217 10.24428 7140.597       382.0196 7282.000       548.0921 7007.000       532.7492 384.4149 14.59273 377.0995 14.45993 7.315430       20.54354 
1 1 1 9   7  2  o 586.5492 15.51572 16953.69       890.0225 16953.69       890.0225 0.000000       0.000000 586.5492 15.51572 ?        ?        ?              ?        
1 1 1 9   7  3  o 389.4624 10.46446 7449.884       398.5610 7449.884       398.5610 0.000000       0.000000 389.4624 10.46446 ?        ?        ?              ?        
1 1 1 9   7  4  o 589.0089 15.58631 17099.23       897.8206 17099.23       897.8206 0.000000       0.000000 589.0089 15.58631 ?        ?        ?              ?        
1 1 1 9   7  5  o 152.8392 4.947879 1145.204       73.92435 1145.204       73.92435 0.000000       0.000000 152.8392 4.947879 ?        ?        ?              ?        
1 1 1 9   7  6  o 74.17860 4.248696 270.3122       30.71993 241.7000       45.86060 293.6000       41.37406 69.90382 6.787786 77.22577 5.509623 -7.321953      8.742424 
1 1 1 9   7  7  o 310.3549 6.922833 4720.300       210.3046 4663.104       255.6582 4840.000       369.8511 308.2507 8.481298 313.6122 12.07089 -5.361542      14.75259 
1 1 1 9   7  8  o 297.1400 6.665328 4326.634       193.8603 4363.318       238.9566 4256.000       331.5778 298.1884 8.194717 294.1084 11.54026 4.080017       14.15383 
1 1 1 9   7  9  o 319.9924 7.123813 5018.921       223.1302 4923.070       269.8747 5226.000       396.6704 316.6847 8.714490 325.7871 12.46210 -9.102448      15.20678 
1 1 1 9   7  10 o 344.5526 7.623191 5820.667       257.0980 5878.999       317.2180 5709.000       438.9059 345.9888 9.375405 340.3664 13.19904 5.622375       16.18990 
1 1 1 9   7  11 o 228.3546 5.356867 2554.520       119.7366 2556.803       146.8989 2550.000       206.6820 228.3069 6.580314 227.7472 9.290864 0.5597687      11.38511 
1 1 1 9   7  12 o 469.0855 10.19247 10809.85       467.9912 10586.19       564.7618 11300.00       836.0513 463.6122 12.45655 477.4007 17.92320 -13.78845      21.82675 
1 1 1 9   7  13 o 400.5177 8.779363 7875.417       344.1842 7765.336       417.4808 8109.000       608.1398 397.2577 10.74625 404.8307 15.37495 -7.572998      18.75823 
1 1 1 9   7  14 o 368.6743 7.037399 6666.924       253.9577 7031.084       372.5473 6350.810       347.1020 378.0374 10.07692 359.3079 9.878623 18.72949       14.11140 
1 1 1 9   7  15 o 259.7970 5.167478 3307.642       131.4071 3506.298       193.0809 3136.231       179.3530 267.1992 7.389502 252.7100 7.258218 14.48921       10.35792 
1 1 1 9   7  16 o 258.2099 5.963187 3269.427       150.7153 3443.000       273.2007 3193.494       180.6996 264.2126 10.58527 254.9728 7.247663 9.239761       12.82874 
1 1 1 9   7  17 o 170.0510 3.738322 1416.470       62.22460 1336.000       117.7606 1447.641       73.29196 164.7891 7.318976 171.8302 4.361158 -7.041092      8.519808 
1 1 1 9   7  18 o 166.3273 3.701806 1355.216       60.26753 1411.000       119.9382 1336.373       69.70698 169.3385 7.252748 165.0830 4.317582 4.255493       8.440608 
1 1 1 9   7  19 o 219.1232 5.230359 2354.674       112.1827 0.000000       0.000000 2354.674       112.1827 ?        ?        219.1232 5.230359 ?              ?        
1 1 1 9   7  20 o 263.5198 6.068070 3408.545       156.5201 0.000000       0.000000 3408.545       156.5201 ?        ?        263.5198 6.068070 ?              ?        
1 1 1 9   7  21 o 251.1270 5.836512 3095.589       143.4673 0.000000       0.000000 3095.589       143.4673 ?        ?        251.1270 5.836512 ?              ?        
1 1 1 9   7  22 o 86.37328 3.131867 365.9325       26.43439 428.7000       47.58746 337.9207       31.79034 93.32769 5.230181 82.94181 3.926907 10.38588       6.540290 
1 1 1 9   7  23 o 129.4269 3.342076 821.2908       42.30421 949.5000       83.80995 777.4565       49.00531 138.8866 6.180425 125.8754 3.982381 13.01115       7.352347 
1 1 1 9   7  24 o 99.60262 3.189568 486.5511       31.05622 465.0000       52.92493 497.8689       38.35361 97.15447 5.588920 100.7041 3.898288 -3.549629      6.814153 
1 1 1 9   7  25 o 130.7702 3.848624 839.0480       49.20937 912.5000       83.25706 799.6108       61.00594 136.1049 6.266255 127.5567 4.895189 8.548187       7.951656 
1 1 1 9   7  26 o 67.91270 3.645044 226.7319       24.14159 238.8868       28.35443 194.7000       46.02949 69.66747 4.177186 62.38939 7.700617 7.278080       8.760615 
1 1 1 9   7  27 o 148.2076 5.175025 1080.109       74.95876 1131.000       103.9591 1025.000       108.1824 151.3650 7.035918 143.9560 7.705591 7.408997       10.43457 
1 1 1 9   7  28 o 92.51372 3.597172 420.2783       32.51211 397.0453       36.64502 506.2000       70.47150 89.86285 4.177521 101.0844 7.168862 -11.22151      8.297244 
1 1 1 9   7  29 o 173.3818 4.462443 1476.930       75.66956 1451.521       89.83241 1539.000       140.4034 171.7379 5.350457 176.2025 8.162835 -4.464600      9.760085 
1 1 1 9   7  30 o 231.4299 4.738360 2631.949       107.3381 2604.504       149.6258 2661.048       154.0697 229.6720 6.662716 232.1150 6.788512 -2.442963      9.511870 
1 1 1 9   7  31 o 102.4444 3.166190 515.1946       31.71098 471.4884       41.76133 574.7141       48.73396 97.86041 4.370773 108.0271 4.619517 -10.16669      6.359528 
1 1 1 9   7  32 o 112.0867 3.205837 616.9280       35.13625 637.2028       48.59954 594.7253       50.85768 113.7536 4.372909 109.8308 4.741878 3.922737       6.450407 
1 1 1 9   7  33 o 38.67167 4.569695 74.63729       16.96387 69.07803       21.76473 83.24159       27.07713 36.86927 6.254176 40.37849 7.110495 -3.509216      9.469628 
1 1 1 9   7  34 o 45.53469 5.507217 103.9694       24.04789 103.9694       24.04789 0.000000       0.000000 45.53469 5.507217 ?        ?        ?              ?        
1 1 1 9   7  35 o 40.92665 4.505096 83.60831       17.74933 72.67378       22.73123 100.6896       28.41082 37.73705 6.381119 44.48689 6.734951 -6.749844      9.277836 
1 1 1 9   7  36 o 46.08716 4.231677 105.6548       18.87677 117.8940       24.92444 89.19091       28.90787 48.48668 5.339978 41.60567 7.367976 6.881012       9.099584 
1 1 1 9   7  37 o 56.99328 3.698513 160.7762       20.52132 162.6207       27.34204 158.3969       31.05413 57.07196 4.943117 56.12978 5.732637 0.9421768      7.569513 
1 1 1 9   7  38 o 34.28014 5.272817 59.74044       17.12656 83.46301       22.50492 27.09579       26.39992 40.49907 5.846121 24.50277 8.732986 15.99630       10.50915 
1 1 1 9   7  39 o 62.75186 3.600586 194.9695       22.02313 203.9964       29.61671 183.8042       32.93822 63.92035 4.767944 60.41596 5.634815 3.504391       7.381357 
1 1 1 9   7  40 o 14.70488 6.255459 0.7009833      15.75652 -12.44056      19.80562 23.35896       26.00614 14.05725 6.428243 23.39074 8.620087 -9.333493      10.75306 
1 1 1 9   7  41 o 51.60741 4.511809 133.3302       22.56232 133.0000       31.87201 133.6619       31.94401 50.92890 6.544600 51.05825 6.541813 -0.1293526     9.253491 
1 1 1 9   7  42 o 15.97109 6.815976 0.8172577      18.81267 9.295000       23.70107 -13.62000      30.92931 19.47756 7.923538 18.06165 8.170325 1.415916       11.38142 
1 1 1 9   7  43 o 47.74800 4.462976 114.5746       20.61698 116.8102       26.97829 111.4361       31.96570 47.76346 5.895479 46.09781 7.329413 1.665649       9.406220 
1 1 1 9   7  44 o 56.02269 7.613610 165.4212       40.67097 213.3000       57.50474 117.5000       57.53016 62.43346 9.726567 44.53802 12.62204 17.89543       15.93493 
1 1 1 9   7  45 o 68.19315 4.900083 235.3038       32.48968 205.0000       59.20763 248.3604       38.86362 60.34076 10.39986 69.64529 5.752169 -9.304531      11.88463 
1 1 1 9   7  46 o 47.95203 4.460865 116.4179       20.69772 130.0783       27.98898 99.93259       30.74704 50.15421 5.808555 43.08062 7.567466 7.073586       9.539699 
1 1 1 9   7  47 o 41.92961 4.961998 90.16441       19.97076 97.19833       26.90115 81.52833       29.80783 42.83180 6.630564 38.42540 8.176487 4.406406       10.52708 
1 1 1 9   7  48 f 38.13619 5.360131 75.50962       19.45723 85.39056       26.42448 63.80766       28.75656 39.83707 7.033710 33.61971 8.679262 6.217365       11.17151 
1 1 1 9   7  49 o 45.52838 4.573270 105.7355       20.10478 90.92065       27.34970 123.1529       29.65492 41.06446 7.058609 48.26894 6.436882 -7.204479      9.552875 
1 1 1 9   7  50 f 19.65976 7.290756 17.45597       18.65502 14.52000       27.14780 20.08262       25.67789 20.90438 8.488946 21.77307 8.440424 -0.8686962     11.97092 
1 1 1 9   7  51 o 27.87712 6.690096 42.51180       18.02221 53.07030       24.15836 29.26199       27.06270 30.68084 7.972704 24.07432 8.806484 6.606514       11.87932 
1 1 1 9   7  52 o 28.73240 6.551200 45.24265       18.01435 45.56329       24.03799 44.83186       27.20771 28.26300 8.206497 27.95120 8.862668 0.3118076      12.07864 
1 1 1 9   7  53 o 40.09591 5.015363 83.73861       19.25444 75.66399       25.99986 93.54514       28.65283 36.79778 7.473802 41.06459 7.400608 -4.266808      10.51792 
1 1 1 9   7  54 o 42.64632 5.378829 95.39117       21.95461 86.22707       27.40799 111.8000       36.67510 39.40781 7.376452 43.95046 8.831899 -4.542656      11.50715 
1 1 1 9   7  55 o 16.77558 6.928845 7.228808       18.47585 32.43195       24.73979 -24.55269      27.78151 24.37535 8.473179 15.09437 7.134993 9.280973       11.07713 
1 1 1 9   7  56 o 44.73296 5.998263 106.8073       25.60259 107.7228       29.13100 103.7000       53.66895 44.33253 6.940701 38.95746 12.45826 5.375072       14.26119 
1 1 1 9   7  57 o 39.34948 5.515549 82.06776       20.66132 65.79852       27.53771 103.0227       31.25264 33.55119 8.404019 42.70119 7.763101 -9.150005      11.44086 
1 1 1 9   7  58 o 37.19922 6.286602 75.15630       22.07574 49.30000       33.72158 94.54786       29.20324 28.69477 9.896578 40.98130 7.558532 -12.28653      12.45286 
1 1 1 9   7  59 o 35.74596 6.635314 70.69460       22.36186 86.87000       35.22951 59.77984       28.93918 37.53895 9.562569 31.43250 8.966823 6.106449       13.10903 
1 1 1 9   7  60 o 21.42863 8.148382 22.96570       23.61729 52.24000       49.23007 14.21432       26.91692 28.92321 11.54052 20.12006 8.341590 8.803148       14.23959 
1 1 1 9   8  0  o 39.70085 3.918263 77.92136       15.02818 49.72798       22.45935 100.7782       20.22236 31.22900 7.451602 45.12712 4.644365 -13.89812      8.780461 
1 1 1 9   8  1  o 296.3736 6.635864 4303.924       192.5055 4361.754       238.1879 4195.000       326.8922 298.1568 8.169175 292.0382 11.45783 6.118652       14.07186 
1 1 1 9   8  2  o 696.2610 14.98433 23868.53       1021.211 25435.80       1308.869 21430.00       1632.631 717.3423 18.65659 655.5651 25.49145 61.77722       31.58928 
1 1 1 9   8  3  o 553.1020 14.65890 15069.52       792.9206 15069.52       792.9206 0.000000       0.000000 553.1020 14.65890 ?        ?        ?              ?        
1 1 1 9   8  4  o 723.5446 15.56329 25791.19       1102.232 27563.61       1414.378 23050.00       1758.941 746.4023 19.37553 679.2986 26.50444 67.10370       32.83133 
1 1 1 9   8  5  f 492.5775 10.66261 11912.28       514.0961 11811.84       626.1727 12120.00       900.4868 489.9377 13.06878 494.9192 18.62139 -4.981476      22.74970 
1 1 1 9   8  6  o 269.2491 6.121006 3551.792       161.3182 3632.471       200.8141 3405.000       270.8744 272.1105 7.546789 263.1427 10.53779 8.967834       12.96145 
1 1 1 9   8  7  o 256.2915 5.872317 3217.979       147.3160 3169.813       179.0239 3319.000       259.2639 254.2001 7.202234 259.8191 10.21438 -5.619034      12.49823 
1 1 1 9   8  8  o 487.3446 10.56945 11663.22       504.1905 11292.21       603.5645 12520.00       917.1915 478.9667 12.88566 502.7949 18.66886 -23.82816      22.68406 
1 1 1 9   8  9  o 490.5659 10.64137 11820.32       510.9765 11450.87       612.0648 12670.00       928.2185 482.2465 12.97828 505.6420 18.78697 -23.39551      22.83387 
1 1 1 9   8  10 o 306.4449 6.874028 4603.344       206.1911 4411.171       245.3820 5065.000       380.3263 299.7490 8.371517 320.6776 12.13853 -20.92859      14.74538 
1 1 1 9   8  11 o 208.7433 5.008774 2134.528       102.3411 2055.784       122.7560 2314.000       185.3255 204.7183 6.132953 216.9627 8.744493 -12.24432      10.68079 
1 1 1 9   8  12 o 250.2465 5.786449 3069.035       141.7380 3012.768       171.7914 3189.000       250.8430 247.7568 7.091150 254.5414 10.08784 -6.784622      12.33081 
1 1 1 9   8  13 o 87.16999 3.705995 372.7853       31.54903 367.4369       39.35772 382.4000       52.76949 86.47949 4.666835 88.10532 6.157679 -1.625832      7.726342 
1 1 1 9   8  14 o 431.9394 9.440738 9170.973       399.1490 9004.567       482.6574 9531.000       709.9409 427.3891 11.54802 438.0515 16.58731 -10.66241      20.21128 
1 1 1 9   8  15 o 251.2013 7.200348 3099.476       176.8614 3229.000       258.8120 2986.000       242.2485 255.9137 10.35338 246.1284 10.07656 9.785324       14.44748 
1 1 1 9   8  16 o 180.1727 3.879468 1590.181       68.41753 1557.000       132.3328 1602.286       79.92903 177.8925 7.617458 180.8282 4.515774 -2.935669      8.855388 
1 1 1 9   8  17 o 229.6156 4.652363 2584.071       104.5638 2499.000       202.0638 2615.183       122.1974 225.1510 9.188015 230.9356 5.405859 -5.784653      10.66034 
1 1 1 9   8  18 o 206.2186 4.290451 2084.070       86.60382 2001.000       165.6123 2115.335       101.6030 201.5117 8.414784 207.7103 4.997376 -6.198624      9.786846 
1 1 1 9   8  19 o 240.4974 4.839237 2835.870       113.9183 2879.000       226.8020 2821.317       131.7425 241.4872 9.614248 239.8044 5.612578 1.682785       11.13260 
1 1 1 9   8  20 o 63.91934 4.031555 201.0240       25.09534 0.000000       0.000000 201.0240       25.09534 ?        ?        63.91934 4.031555 ?              ?        
1 1 1 9   8  21 o 249.2860 5.802849 3050.736       141.5942 0.000000       0.000000 3050.736       141.5942 ?        ?        249.2860 5.802849 ?              ?        
1 1 1 9   8  22 o 234.4055 5.538624 2697.205       127.0796 0.000000       0.000000 2697.205       127.0796 ?        ?        234.4055 5.538624 ?              ?        
1 1 1 9   8  23 o 132.0104 4.019687 855.1022       51.88005 0.000000       0.000000 855.1022       51.88005 ?        ?        132.0104 4.019687 ?              ?        
1 1 1 9   8  24 o 185.3216 4.630791 1684.784       84.00156 1724.000       142.9365 1664.094       103.8222 186.8998 7.830532 183.9716 5.772595 2.928192       9.728313 
1 1 1 9   8  25 o 104.4029 3.209737 534.5975       32.76214 475.4000       54.61591 567.8725       40.94747 98.20964 5.706019 107.5533 3.895966 -9.343689      6.909211 
1 1 1 9   8  26 o 195.3377 4.178646 1871.541       79.89652 1908.044       112.1185 1833.879       113.8837 196.9460 5.822386 193.0404 6.034494 3.905563       8.385422 
1 1 1 9   8  27 f 118.1645 3.697287 685.3151       42.71120 656.8971       48.77893 778.7000       88.42473 115.6254 4.317538 125.4834 7.229754 -9.858002      8.420835 
1 1 1 9   8  28 o 117.9914 3.286980 682.9895       37.92541 685.0800       50.10270 680.1844       58.03704 118.0672 4.342764 117.5573 5.055518 0.5098801      6.664672 
1 1 1 9   8  29 o 180.8105 4.632204 1606.862       81.91431 1823.000       149.8632 1514.776       97.82006 191.8021 8.000000 175.3547 5.706674 16.44737       9.826806 
1 1 1 9   8  30 o 123.6462 3.279633 750.3060       39.65780 755.0352       54.07861 744.8037       58.33178 123.8898 4.466785 122.9895 4.854953 0.9003220      6.597177 
1 1 1 9   8  31 f 132.2827 3.349602 859.1114       43.33643 838.4977       58.99810 883.2661       63.86471 130.4985 4.626087 133.8961 4.881059 -3.397659      6.724985 
1 1 1 9   8  32 o 111.2243 3.180360 607.5374       34.58885 586.0292       46.49460 634.1929       51.75999 109.0694 4.363860 113.4168 4.672418 -4.347328      6.393337 
1 1 1 9   8  33 o 88.81695 3.668452 388.3312       31.82358 399.6049       37.35600 358.5000       60.76632 90.01009 4.251991 84.56252 7.416408 5.447571       8.548832 
1 1 1 9   8  34 o 52.60798 3.722999 136.8018       19.04742 135.8696       24.50800 138.2237       30.26940 52.24842 4.847401 52.47406 6.001019 -0.2256317     7.714241 
1 1 1 9   8  35 o 66.10561 4.471811 216.6293       28.76501 216.6293       28.76501 0.000000       0.000000 66.10561 4.471811 ?        ?        ?              ?        
1 1 1 9   8  36 o 63.92293 3.449353 201.6950       21.50250 209.9518       28.71979 191.1627       32.43656 65.02312 4.540936 61.83887 5.413327 3.184242       7.065706 
1 1 1 9   8  37 o 20.49428 6.704526 20.37325       15.48946 14.61925       19.60758 29.92477       25.26244 19.69500 7.439303 25.07467 8.568600 -5.379669      11.34743 
1 1 1 9   8  38 o 51.62968 3.928486 132.4299       19.70418 127.8869       25.96780 138.5957       30.25212 50.41211 5.343807 52.31775 6.016875 -1.905632      8.047301 
1 1 1 9   8  39 o 74.92672 3.390708 277.4478       24.80313 299.7511       33.96626 251.9686       36.30418 77.60803 4.490487 70.90476 5.268532 6.703270       6.922565 
1 1 1 9   8  40 f 44.13235 4.540893 97.73840       19.33612 114.6865       25.60389 75.24199       29.49866 47.55487 5.608274 37.61504 8.240279 9.939831       9.967695 
1 1 1 9   8  41 o 83.72219 3.701028 347.4151       30.25482 349.5399       37.10519 343.2000       52.26021 83.71262 4.545375 82.12337 6.555656 1.589256       7.977284 
1 1 1 9   8  42 o 32.92789 6.133462 56.38686       19.04140 58.87000       26.02088 53.52425       27.93847 33.13143 8.094062 31.52896 8.746510 1.602474       11.91702 
1 1 1 9   8  43 o 102.1015 4.715989 522.3047       47.00417 524.4000       59.41615 518.8000       76.84368 101.5833 6.002278 99.67830 7.941537 1.904984       9.954665 
1 1 1 9   8  44 o 14.85409 6.476968 -1.981599      17.71608 4.133000       23.28969 -10.37855      27.29234 18.13868 7.655625 17.11093 7.713632 1.027752       10.86778 
1 1 1 9   8  45 o 76.37410 4.433055 293.4712       32.99779 419.9000       65.24301 250.0143       38.25077 89.22396 7.540984 69.88209 5.639885 19.34187       9.416726 
1 1 1 9   8  46 o 21.94982 8.216450 21.36949       23.80089 -3.357000      45.93596 30.44364       27.82752 22.92803 10.19479 24.84191 8.952608 -1.913883      13.56772 
1 1 1 9   8  47 o 43.45496 4.886817 96.69373       20.42616 86.43079       26.77667 110.9783       31.59038 40.11256 7.078446 45.41774 7.357459 -5.305180      10.20963 
1 1 1 9   8  48 o 29.18243 6.698475 46.09170       18.72832 38.36431       23.87537 58.45186       30.19574 26.48173 8.289598 32.02739 9.166833 -5.545658      12.35914 
1 1 1 9   8  49 o 50.99998 4.643394 132.7133       22.92600 137.8000       34.23645 128.5781       30.86893 50.66297 7.098361 49.21943 6.571402 1.443546       9.673162 
1 1 1 9   8  50 o 49.14365 4.314523 122.8330       20.54379 95.18660       26.78559 162.3296       32.01558 42.08542 6.728788 55.64514 5.971275 -13.55972      8.996261 
1 1 1 9   8  51 o 38.11617 5.265850 75.86783       19.12215 68.14106       25.33354 86.09970       29.15242 34.95896 7.619075 39.26796 7.859052 -4.309002      10.94600 
1 1 1 9   8  52 o 42.13160 4.836773 91.85724       19.58533 107.5195       26.64746 73.45673       28.88309 44.86666 6.236057 35.75801 8.396401 9.108654       10.45887 
1 1 1 9   8  53 o 20.19729 7.382933 19.70097       19.01543 27.65736       23.78529 5.609000       31.65456 23.06903 8.281502 20.15364 8.723684 2.915400       12.02855 
1 1 1 9   8  54 o 35.36577 5.760677 66.71755       19.25597 69.29651       25.79861 63.47352       28.93450 34.98318 7.739367 32.85348 8.815203 2.129707       11.73054 
1 1 1 9   8  55 o 20.51199 7.902616 18.70878       22.40808 12.70536       24.83942 44.95000       51.93188 19.69667 8.073883 28.93357 11.74409 -9.236898      14.25171 
1 1 1 9   8  56 o 31.59613 6.475385 54.74637       19.35303 43.33906       26.08115 68.72305       28.86937 27.35870 8.677542 34.24128 8.620550 -6.882587      12.23166 
1 1 1 9   8  57 o 48.80973 4.598504 122.9834       21.71106 95.50756       29.00197 158.0111       32.74598 41.27663 7.452400 54.22507 6.285831 -12.94844      9.749356 
1 1 1 9   8  58 o 25.53888 7.294192 36.95045       19.13862 23.08359       26.34520 52.44622       27.84960 22.09459 8.553673 29.64588 8.892867 -7.551289      12.33890 
1 1 1 9   8  59 o 30.33971 7.310338 52.62153       21.45178 76.47000       33.78296 36.50876       27.76851 35.09355 9.571967 25.27337 8.961729 9.820183       13.11240 
1 1 1 9   8  60 f 24.76832 7.815132 35.54074       21.17936 -1.525000      33.17167 61.04940       27.51851 19.05572 8.554385 31.74197 8.631271 -12.68625      12.15222 
1 1 1 9   9  0  o 414.8793 9.076878 8443.373       368.6077 8292.941       447.2365 8762.000       650.8895 410.7804 11.13325 421.3644 15.80935 -10.58401      19.33610 
1 1 1 9   9  1  o 478.3544 10.37810 11232.65       485.9301 11900.41       620.0864 10170.00       782.2390 491.8001 12.89235 453.5429 17.65408 38.25726       21.86045 
1 1 1 9   9  2  o 515.2693 11.14562 13039.57       562.1404 12965.53       686.6813 13190.00       978.7999 513.1714 13.68278 516.0524 19.41193 -2.880981      23.74956 
1 1 1 9   9  3  o 453.6687 9.871372 10100.89       438.3516 9729.276       523.7473 10970.00       800.9707 444.7840 12.04110 471.0974 17.39989 -26.31348      21.15997 
1 1 1 9   9  4  o 211.2240 6.172108 2187.818       127.4726 2072.000       175.8730 2316.000       185.0218 205.3432 8.770288 217.1226 8.723619 -11.77937      12.37010 
1 1 1 9   9  5  o 550.1236 11.86851 14873.21       639.0911 14744.57       778.0635 15140.00       1120.482 546.9800 14.54531 552.3021 20.76328 -5.322083      25.35113 
1 1 1 9   9  6  f 208.6307 5.003688 2131.883       102.1821 2075.873       123.7331 2252.000       181.1981 205.7403 6.151039 214.0910 8.664575 -8.350708      10.62592 
1 1 1 9   9  7  f 449.8668 9.783569 9934.560       430.8116 9760.458       521.2153 10310.00       765.3975 445.4181 11.96566 456.5567 17.15772 -11.13861      20.91804 
1 1 1 9   9  8  o 274.2803 6.236938 3686.558       167.4450 3580.525       201.5227 3923.000       300.9309 270.1143 7.629665 282.3598 10.90876 -12.24545      13.31214 
1 1 1 9   9  9  o 278.3799 6.321114 3798.043       172.2414 3683.499       206.9796 4056.000       310.6100 273.9471 7.726605 287.0521 11.07552 -13.10504      13.50435 
1 1 1 9   9  10 o 164.0415 4.313907 1318.834       69.20757 1208.797       81.27755 1609.000       131.9848 156.9860 5.296950 180.9730 7.466858 -23.98697      9.154871 
1 1 1 9   9  11 o 123.7376 3.822270 750.5103       46.23897 718.6313       56.45178 815.5000       80.60233 121.0243 4.774765 128.8156 6.412692 -7.791344      7.995061 
1 1 1 9   9  12 o 201.3363 4.906666 1986.065       96.69741 1896.492       115.6646 2194.000       176.2284 196.5983 6.017637 211.2095 8.541869 -14.61128      10.44871 
1 1 1 9   9  13 o 271.6900 6.209507 3619.507       165.1342 3582.924       201.2050 3695.000       289.0387 270.0775 7.618656 273.7722 10.80723 -3.694763      13.22271 
1 1 1 9   9  14 o 198.8898 6.045212 1941.586       117.5508 2032.000       173.5843 1865.000       159.7590 203.1563 8.749702 194.6591 8.404442 8.497208       12.13227 
1 1 1 9   9  15 o 124.4109 3.739812 758.8343       45.49054 650.3000       70.14166 837.6284       59.76397 114.9674 6.256550 130.6551 4.680683 -15.68768      7.813655 
1 1 1 9   9  16 o 197.3130 4.808625 1908.307       92.87159 1748.000       149.2818 2009.527       118.6221 188.4072 8.113762 202.3049 5.996982 -13.89763      10.08945 
1 1 1 9   9  17 o 93.20839 2.962041 425.8896       26.98985 355.5000       47.73675 458.9633       32.72195 84.93143 5.776578 96.73579 3.461357 -11.80436      6.734230 
1 1 1 9   9  18 o 192.1557 4.071035 1809.398       76.57100 1692.000       143.8463 1855.816       90.45079 185.3193 7.948453 194.5603 4.749545 -9.240967      9.259378 
1 1 1 9   9  19 o 59.87743 3.217590 176.1245       18.78893 168.0000       31.39919 180.6563       23.45082 58.25082 5.574884 60.58680 3.976316 -2.335979      6.847659 
1 1 1 9   9  20 o 226.4927 4.625332 2515.458       102.5423 2652.000       208.2530 2471.757       117.8143 231.7254 9.199735 224.4427 5.362733 7.282715       10.64866 
1 1 1 9   9  21 o 39.59740 6.072996 78.77212       22.78844 0.000000       0.000000 78.77212       22.78844 ?        ?        39.59740 6.072996 ?              ?        
1 1 1 9   9  22 o 200.7143 6.058467 1980.805       118.8912 0.000000       0.000000 1980.805       118.8912 ?        ?        200.7143 6.058467 ?              ?        
1 1 1 9   9  23 o 268.9172 7.615252 3564.135       200.2495 0.000000       0.000000 3564.135       200.2495 ?        ?        268.9172 7.615252 ?              ?        
1 1 1 9   9  24 o 134.3774 4.094291 886.2417       53.79033 0.000000       0.000000 886.2417       53.79033 ?        ?        134.3774 4.094291 ?              ?        
1 1 1 9   9  25 o 75.36388 3.279972 278.8607       24.13784 245.8000       37.16661 302.9772       31.74342 70.53660 5.424736 78.48987 4.146458 -7.953270      6.827949 
1 1 1 9   9  26 o 186.6401 5.749697 1713.926       104.9150 1788.000       146.5274 1636.000       150.2887 190.1947 7.887833 181.7781 8.469819 8.416565       11.57393 
1 1 1 9   9  27 o 198.4624 4.230014 1932.589       82.17245 2029.099       116.8976 1838.319       115.5332 203.0313 5.888373 193.1982 6.117097 9.833115       8.490689 
1 1 1 9   9  28 o 225.8494 4.639749 2505.063       102.5699 2435.391       140.9709 2583.439       149.5175 222.2272 6.487705 228.8353 6.682332 -6.608093      9.313639 
1 1 1 9   9  29 o 203.6680 4.292747 2036.866       85.57842 2068.101       120.3574 2004.927       121.7062 204.8120 6.010094 201.6160 6.174384 3.196075       8.616510 
1 1 1 9   9  30 o 202.0750 4.270454 2006.011       84.46812 2018.293       118.2694 1993.224       120.6790 202.2420 5.980980 200.9358 6.142969 1.306122       8.573692 
1 1 1 9   9  31 o 124.4550 3.272674 760.5440       39.83310 796.9845       55.76291 722.5756       56.91994 127.2229 4.484910 121.0742 4.812522 6.148743       6.578358 
1 1 1 9   9  32 o 90.54906 3.139220 402.8702       27.78143 378.0117       36.52149 437.0083       42.79868 87.55721 4.274296 94.09365 4.661417 -6.536438      6.324430 
1 1 1 9   9  33 o 97.24198 3.140927 464.7838       29.85711 487.6310       40.80905 438.4673       43.79786 99.43959 4.202145 94.17998 4.766531 5.259613       6.354356 
1 1 1 9   9  34 o 48.67001 3.895152 117.3427       18.40155 108.2668       23.57078 131.5073       29.44653 46.49678 5.271918 51.14773 5.995340 -4.650955      7.983560 
1 1 1 9   9  35 o 70.42659 3.336613 244.4843       22.93570 214.6856       29.57959 289.4117       36.32033 65.76163 4.624784 76.34357 4.886038 -10.58193      6.727704 
1 1 1 9   9  36 o 48.88927 5.044309 119.6973       23.79294 119.6973       23.79294 0.000000       0.000000 48.88927 5.044309 ?        ?        ?              ?        
1 1 1 9   9  37 o 55.55136 3.696737 152.8887       19.98671 162.1204       26.22688 140.1008       30.86773 56.99298 4.744298 52.60589 6.108077 4.387089       7.734143 
1 1 1 9   9  38 o 36.70510 4.950525 68.11121       17.33318 54.02151       21.80819 92.27853       28.56163 32.11396 7.124223 42.20772 7.169503 -10.09376      10.10724 
1 1 1 9   9  39 o 52.30470 3.946397 136.0957       20.05544 141.4363       26.19963 128.5373       31.16846 53.04315 5.109283 50.13006 6.505271 2.913094       8.271840 
1 1 1 9   9  40 o 48.92118 4.482036 119.8475       21.22415 103.8462       25.39685 156.9000       38.64657 45.12763 5.889938 55.08658 7.350650 -9.958946      9.419311 
1 1 1 9   9  41 o 38.28876 4.894849 74.27222       17.92599 60.85756       22.93594 95.32908       28.73582 33.98029 7.123855 42.75043 7.117275 -8.770142      10.07000 
1 1 1 9   9  42 o 42.14286 5.367826 90.46021       21.64077 90.24531       24.03625 91.38000       49.72718 41.88116 6.037441 40.17337 11.84213 1.707790       13.29236 
1 1 1 9   9  43 o 53.68530 4.011853 144.1223       20.92930 148.0690       27.46520 138.6566       32.32116 54.01413 5.261411 51.76395 6.523585 2.250172       8.380907 
1 1 1 9   9  44 o 48.90303 4.696637 121.0414       22.20562 137.8000       31.78932 105.0724       31.03138 51.49650 6.447551 44.46764 7.388545 7.028866       9.806198 
1 1 1 9   9  45 o 33.87771 6.269399 60.65845       20.02409 55.77000       27.45607 66.21315       29.26732 31.68541 8.623796 34.48360 8.678761 -2.798199      12.23482 
1 1 1 9   9  46 o 31.77538 5.962073 53.30720       17.86266 60.97908       23.93654 43.66536       26.83431 33.43642 7.498970 28.18882 8.782884 5.247599       11.54875 
1 1 1 9   9  47 o 16.06432 7.190671 -6.600611      23.25417 -34.35000      46.99899 2.394788       26.75913 19.99413 9.398354 18.69745 8.056724 1.296682       12.37901 
1 1 1 9   9  48 o 57.80834 6.224310 174.9664       34.66553 0.000000       0.000000 174.9664       34.66553 ?        ?        57.80834 6.224310 ?              ?        
1 1 1 9   9  49 o 74.12720 3.588788 275.2872       25.96207 264.1422       34.48791 289.8627       39.44022 71.87578 4.931946 74.98740 5.409708 -3.111626      7.320453 
1 1 1 9   9  50 o 24.39867 7.119141 32.56396       18.05053 35.79445       23.06411 27.45769       28.99707 25.51176 8.167921 23.93575 9.045575 1.576012       12.18759 
1 1 1 9   9  51 o 84.51379 3.485308 358.0758       28.77015 368.7389       39.11755 345.5114       42.46220 84.92973 4.724114 81.72508 5.337326 3.204651       7.127713 
1 1 1 9   9  52 o 29.52740 6.722043 48.02424       18.99088 41.46505       23.57759 60.14000       32.04421 27.01791 8.199520 31.76720 9.541353 -4.749287      12.58052 
1 1 1 9   9  53 o 13.19448 5.977006 -6.932161      16.62183 1.733853       22.11248 -18.19005      25.20324 16.84396 7.291142 14.94980 6.980323 1.894157       10.09384 
1 1 1 9   9  54 o 47.55811 5.453853 118.8098       24.92952 123.9694       28.27591 100.8000       52.82803 48.17002 6.136087 38.57392 12.36281 9.596104       13.80184 
1 1 1 9   9  55 o 21.09592 7.280919 23.23732       18.25316 43.82699       24.46127 -2.632437      27.41892 27.55626 8.349442 17.70846 7.875022 9.847792       11.47733 
1 1 1 9   9  56 o 19.05266 7.175787 16.45742       18.21322 21.49032       24.13887 9.804995       27.75224 21.47566 8.220430 19.81575 8.359858 1.659904       11.72445 
1 1 1 9   9  57 f 68.78843 3.820879 239.8111       25.62567 229.6497       34.95943 251.6111       37.67283 66.15855 5.446686 69.12112 5.616511 -2.962578      7.823783 
1 1 1 9   9  58 o 57.91319 4.107758 171.3810       23.13453 159.0705       31.80244 185.2173       33.71566 54.46044 6.068854 58.91702 5.926788 -4.456577      8.482795 
1 1 1 9   9  59 o 18.57670 7.203548 14.95222       18.70789 6.849230       26.17288 23.41680       26.75048 18.67032 8.005347 22.05451 8.596539 -3.384184      11.74675 
1 1 1 9   9  60 o 34.14962 6.289819 64.45166       20.25026 61.69098       28.79187 67.15418       28.48694 31.68840 8.911653 33.26298 8.664451 -1.574579      12.42941 
1 1 1 9   10 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 1  f 395.9693 10.63951 7705.212       411.9985 7508.000       573.1961 7916.000       592.5959 390.0650 15.04093 400.5161 15.14312 -10.45111      21.34347 
1 1 1 9   10 2  o 374.9439 7.132789 6890.938       261.7772 7104.561       378.3969 6694.854       362.5304 380.2735 10.17503 369.1565 10.04226 11.11707       14.29609 
1 1 1 9   10 3  o 374.5373 7.119594 6876.107       261.0096 6837.510       368.0139 6915.172       370.2430 373.0575 10.08744 375.1711 10.09127 -2.113647      14.26850 
1 1 1 9   10 4  o 356.9470 6.813428 6244.742       238.0541 5938.490       325.8445 6595.318       348.6277 347.7067 9.583087 366.4255 9.728692 -18.71875      13.65588 
1 1 1 9   10 5  o 327.4292 7.299050 5255.989       233.9322 4811.000       382.5593 5521.758       295.6488 312.4948 12.53232 335.3345 9.015417 -22.83972      15.43816 
1 1 1 9   10 6  o 186.9392 4.658164 1711.554       85.23566 1693.968       104.7579 1746.000       146.6136 185.8515 5.765537 188.5131 7.963534 -2.661575      9.831546 
1 1 1 9   10 7  o 416.4151 9.100018 8511.116       370.9154 8429.748       451.5130 8680.000       650.4819 413.9714 11.15294 418.9944 15.88944 -5.022980      19.41294 
1 1 1 9   10 8  o 206.8529 4.997383 2096.061       101.1837 2005.676       121.1075 2305.000       184.1341 202.2043 6.125980 216.5396 8.705157 -14.33531      10.64459 
1 1 1 9   10 9  o 333.0727 7.417953 5441.432       241.8407 5264.242       289.8955 5847.000       438.5854 327.3038 9.057366 344.2280 13.04031 -16.92413      15.87720 
1 1 1 9   10 10 o 259.4040 5.975132 3298.390       151.7156 3215.252       183.3388 3479.000       270.2243 255.9101 7.326692 265.7929 10.40674 -9.882782      12.72716 
1 1 1 9   10 11 o 221.1304 5.267984 2396.274       114.0248 2338.315       137.9976 2521.000       202.4379 218.2730 6.466126 226.3332 9.156611 -8.060196      11.20956 
1 1 1 9   10 12 o 176.5968 5.624241 1530.292       97.09547 1356.000       131.8204 1737.000       143.5565 165.9778 8.138653 187.9401 7.820733 -21.96225      11.28723 
1 1 1 9   10 13 o 441.2032 9.656202 9575.919       417.0146 9218.894       497.4507 10420.00       764.8782 432.2078 11.76944 457.4368 17.11281 -25.22900      20.76940 
1 1 1 9   10 14 f 307.1148 6.893768 4629.387       207.2352 4388.000       343.8880 4767.037       259.6852 297.9474 11.81498 311.2953 8.530567 -13.34793      14.57273 
1 1 1 9   10 15 o 199.5259 4.848076 1951.415       94.68362 1730.000       150.0479 2097.915       122.0520 187.4185 8.199049 206.7039 6.038872 -19.28543      10.18295 
1 1 1 9   10 16 o 199.0678 4.843653 1942.717       94.38005 1749.000       150.5648 2068.101       121.1324 188.4136 8.183557 205.2078 6.037160 -16.79419      10.16946 
1 1 1 9   10 17 o 92.77229 3.548347 422.2441       32.16245 381.5000       49.14418 452.7690       42.53705 87.99342 5.737072 96.00103 4.539596 -8.007607      7.315868 
1 1 1 9   10 18 o 136.5599 3.333296 913.5137       44.55569 890.1000       84.09779 922.6506       52.53480 134.4838 6.407064 137.1618 3.916993 -2.677963      7.509548 
1 1 1 9   10 19 o 237.0956 4.792437 2756.807       111.2208 2969.000       229.8685 2691.947       127.0872 245.1190 9.599235 234.2094 5.543592 10.90959       11.08498 
1 1 1 9   10 20 f 76.67641 3.094337 288.4675       23.17622 251.8000       38.77725 308.8448       28.90747 71.40608 5.592578 79.29891 3.734725 -7.892830      6.724961 
1 1 1 9   10 21 o 208.2545 4.994032 2127.906       101.8010 2175.000       175.2488 2103.921       125.0658 209.8705 8.548846 206.8483 6.183981 3.022141       10.55104 
1 1 1 9   10 22 o 275.1137 6.276282 3719.731       169.0133 4011.000       304.5720 3590.130       203.1646 284.2672 10.96661 269.8878 7.698435 14.37936       13.39897 
1 1 1 9   10 23 o 184.0524 4.710539 1663.100       84.79324 0.000000       0.000000 1663.100       84.79324 ?        ?        184.0524 4.710539 ?              ?        
1 1 1 9   10 24 o 62.85801 4.657013 194.9260       28.44976 0.000000       0.000000 194.9260       28.44976 ?        ?        62.85801 4.657013 ?              ?        
1 1 1 9   10 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   10 26 o 81.22096 3.141442 323.7864       24.92779 289.9000       42.32769 341.7800       30.84402 76.58243 5.687222 83.39780 3.788312 -6.815376      6.833433 
1 1 1 9   10 27 o 224.2425 4.607472 2468.998       101.1316 2523.500       143.1039 2414.622       142.9395 226.2581 6.468255 221.2849 6.606645 4.973190       9.245868 
1 1 1 9   10 28 o 204.4236 4.297611 2051.698       85.99326 1995.401       117.8189 2115.879       125.7986 201.2128 5.988759 207.1490 6.211226 -5.936218      8.628126 
1 1 1 9   10 29 o 232.9538 4.757904 2667.615       108.4905 2828.653       157.1407 2520.942       149.9679 239.2709 6.716184 225.8470 6.791589 13.42383       9.551586 
1 1 1 9   10 30 o 146.6907 4.127681 1058.001       59.20836 1151.000       104.5692 1014.117       71.83218 152.3519 7.031085 143.4341 5.124587 8.917801       8.700434 
1 1 1 9   10 31 o 129.5250 3.343905 824.0234       42.35947 817.0315       57.78795 832.1430       62.27394 128.7701 4.592105 129.8954 4.906682 -1.125244      6.720340 
1 1 1 9   10 32 o 121.7043 3.282037 727.8444       39.06242 644.4527       50.54521 851.5099       61.55210 114.3033 4.526627 131.3537 4.795389 -17.05042      6.594399 
1 1 1 9   10 33 f 63.76958 3.309589 200.3405       20.58758 187.2984       26.45583 220.3644       32.78104 61.49023 4.425100 66.60690 5.066024 -5.116661      6.726523 
1 1 1 9   10 34 o 86.08741 3.144737 364.6788       26.45451 379.2455       35.65191 346.8319       39.46225 87.61489 4.169139 83.63962 4.840867 3.975273       6.388718 
1 1 1 9   10 35 f 66.91225 3.306340 220.7808       21.58800 208.3098       28.21497 238.3907       33.52793 64.78483 4.476918 69.21542 4.982108 -4.430588      6.698073 
1 1 1 9   10 36 o 85.60009 3.204675 361.1254       26.80384 385.5927       36.50259 332.4958       39.48560 88.22975 4.239112 81.73125 4.958985 6.498505       6.523925 
1 1 1 9   10 37 o 44.01500 4.681078 97.10709       19.85855 103.3056       23.39165 81.11000       37.57825 45.24621 5.387364 38.85367 9.864739 6.392540       11.23996 
1 1 1 9   10 38 o 51.14910 4.009239 130.1833       19.91241 133.8244       25.83581 124.8556       31.25167 51.58369 5.187206 49.38715 6.632267 2.196541       8.419862 
1 1 1 9   10 39 o 89.66976 3.679322 398.0484       32.22527 418.7893       39.78802 358.5000       54.94178 91.74332 4.443911 83.96497 6.741562 7.778358       8.074467 
1 1 1 9   10 40 o 97.59179 3.316328 470.6277       31.63338 458.7075       42.37275 485.6359       47.54545 95.95203 4.524297 98.56668 4.943805 -2.614655      6.701528 
1 1 1 9   10 41 o 47.36277 5.117507 113.4435       23.34846 118.4325       26.14454 93.79000       51.89112 48.24110 5.643300 40.72121 12.12088 7.519894       13.37022 
1 1 1 9   10 42 o 54.97464 3.960160 150.8349       21.16709 175.6011       28.20519 118.9017       32.02733 59.03813 4.925632 47.74024 7.066953 11.29789       8.614156 
1 1 1 9   10 43 o 13.00690 5.896932 -8.264758      16.22003 -5.068071      20.82772 -13.19149      25.85658 15.56473 6.895765 16.23080 7.392499 -0.6660690     10.10943 
1 1 1 9   10 44 o 37.74050 5.225166 73.23880       18.78529 67.75360       24.33311 81.33057       29.55447 35.53554 7.241691 38.65735 8.071584 -3.121811      10.84401 
1 1 1 9   10 45 f 61.77750 3.801635 191.0837       22.87696 178.6266       30.32130 207.5459       34.85653 59.09952 5.297663 63.54663 5.663108 -4.447109      7.754742 
1 1 1 9   10 46 o 54.67858 4.369490 151.2039       23.19146 145.5000       33.14255 156.6765       32.46334 52.58275 6.583132 54.82144 6.155976 -2.238693      9.012973 
1 1 1 9   10 47 o 75.05875 3.923258 282.9056       28.72395 268.5000       42.53222 294.9853       38.94766 71.84018 6.106262 75.88211 5.276545 -4.041931      8.070214 
1 1 1 9   10 48 o 19.40680 6.966889 17.73088       16.83331 1.014895       21.42747 44.67791       27.20573 16.67684 7.197948 28.27247 8.848698 -11.59563      11.40657 
1 1 1 9   10 49 o 62.85991 4.854651 202.1136       29.63890 200.9000       53.32389 202.6561       35.65377 59.29028 9.509609 62.30421 5.917253 -3.013931      11.20029 
1 1 1 9   10 50 o 17.34641 6.871933 10.43495       17.33551 -1.313901      22.16463 28.94474       27.82042 16.42797 7.202005 24.09554 8.909334 -7.667568      11.45623 
1 1 1 9   10 51 o 21.83496 7.335805 25.14987       18.51090 28.91528       22.16529 16.47000       33.65298 23.31585 8.024303 22.42670 9.315056 0.8891487      12.29470 
1 1 1 9   10 52 o 30.09911 6.420697 49.52372       18.33937 79.22038       23.77257 5.870638       28.82238 38.17336 6.600995 19.49245 8.379987 18.68091       10.66758 
1 1 1 9   10 53 o 33.28684 7.005736 61.34756       22.10257 62.64315       24.50299 55.69000       51.20346 33.28827 7.676810 30.71153 11.91516 2.576746       14.17407 
1 1 1 9   10 54 o 43.86441 4.761889 99.61790       20.11786 112.1914       27.05651 84.07119       30.08590 45.75610 6.200522 38.24333 8.277672 7.512772       10.34245 
1 1 1 9   10 55 o 31.62794 6.467180 54.84226       19.34514 79.08564       26.03687 24.96682       28.90343 37.62609 7.333211 23.02125 8.946385 14.60485       11.56779 
1 1 1 9   10 56 o 27.61982 7.147381 42.98306       19.46994 48.83331       26.32656 35.92052       28.92593 28.84412 8.644880 25.44769 9.133018 3.396429       12.57561 
1 1 1 9   10 57 o 43.13259 5.139584 97.53304       21.27265 103.7195       29.42818 90.76257       30.78586 43.19475 7.214549 39.67254 8.199056 3.522205       10.92127 
1 1 1 9   10 58 o 16.41848 6.885293 5.937179       18.64876 38.89789       26.48477 -26.47454      26.26328 25.90663 8.774731 14.26976 6.800316 11.63686       11.10136 
1 1 1 9   10 59 o 24.38197 7.492820 34.09155       19.60827 25.07383       28.44430 42.25740       27.06746 22.59022 8.847302 26.61426 8.869542 -4.024044      12.52771 
1 1 1 9   11 0  o 338.2319 9.209428 5618.688       304.6134 5223.000       410.4184 6104.000       454.5275 325.5367 12.90571 351.9034 13.21914 -26.36670      18.47439 
1 1 1 9   11 1  o 491.0056 10.65343 11843.44       512.0145 13230.00       959.6881 11291.72       605.3710 516.5072 19.01470 478.8380 12.92779 37.66916       22.99319 
1 1 1 9   11 2  o 339.1278 7.514391 5639.278       249.4385 5324.000       416.8428 5815.150       311.3319 328.6447 12.98359 344.0848 9.252227 -15.44003      15.94294 
1 1 1 9   11 3  o 420.4731 7.940086 8671.353       326.7907 8984.074       474.2403 8388.602       450.9429 427.3611 11.34702 412.9787 11.16571 14.38245       15.91942 
1 1 1 9   11 4  o 345.2488 6.611664 5842.625       223.4339 5681.661       310.8545 6014.667       321.3746 340.0719 9.347432 349.8969 9.392003 -9.824982      13.25082 
1 1 1 9   11 5  o 463.1634 8.717842 10528.10       395.2296 10607.41       561.9592 10450.47       555.9671 464.0889 12.38185 460.6499 12.34137 3.438934       17.48198 
1 1 1 9   11 6  o 387.8429 7.369699 7377.225       279.7769 7343.797       394.7695 7410.957       396.5652 386.4182 10.44668 388.1824 10.44642 -1.764252      14.77366 
1 1 1 9   11 7  f 397.4539 8.732493 7755.226       339.7279 7328.196       399.4336 8872.000       645.9487 385.9338 10.58366 423.3948 15.61316 -37.46103      18.86225 
1 1 1 9   11 8  o 213.9449 5.146588 2242.735       107.7773 2154.410       129.4790 2442.000       194.4784 209.5339 6.320270 222.8128 8.935247 -13.27895      10.94461 
1 1 1 9   11 9  o 388.3081 8.542964 7404.329       324.7067 7251.617       392.2164 7737.000       578.8920 383.8244 10.44940 395.2878 14.98875 -11.46332      18.27163 
1 1 1 9   11 10 f 278.6194 6.351503 3806.808       173.2184 3634.082       206.0510 4223.000       319.8472 271.9844 7.747600 292.6362 11.18688 -20.65179      13.60777 
1 1 1 9   11 11 o 320.4268 8.844257 5049.505       277.1283 4742.000       377.4830 5409.000       408.1479 309.7595 12.47544 330.8217 12.62744 -21.06219      17.75074 
1 1 1 9   11 12 o 73.70758 4.438287 267.1501       31.87257 249.3000       44.88818 285.3000       45.26340 70.98682 6.533469 76.02337 6.134724 -5.036545      8.962201 
1 1 1 9   11 13 o 168.6026 4.348547 1393.808       71.70540 1322.000       118.2071 1435.615       90.19535 163.9104 7.386665 171.0305 5.394458 -7.120132      9.146748 
1 1 1 9   11 14 o 259.0724 5.958656 3292.760       151.1039 2989.000       243.5931 3482.748       192.6474 246.0721 10.13507 266.1670 7.401585 -20.09488      12.55003 
1 1 1 9   11 15 o 109.8336 3.632287 591.6121       38.99635 480.8000       59.82627 673.4756       51.42140 98.78325 6.218876 117.1349 4.493217 -18.35165      7.672250 
1 1 1 9   11 16 o 237.9501 5.561964 2777.683       129.5449 2666.000       215.5994 2840.786       162.0618 232.3985 9.497825 240.3867 6.894660 -7.988235      11.73648 
1 1 1 9   11 17 o 272.3689 6.217278 3642.187       165.7540 3531.000       278.4049 3703.241       206.3024 267.1554 10.66795 274.3071 7.691128 -7.151642      13.15137 
1 1 1 9   11 18 o 374.0919 8.271992 6890.625       302.8968 6563.000       504.2898 7075.530       378.8486 362.6903 14.23252 378.3372 10.23953 -15.64691      17.53319 
1 1 1 9   11 19 o 217.2867 5.195366 2316.584       110.4983 2307.000       186.7442 2321.747       137.0689 216.1390 8.845581 217.2845 6.451866 -1.145477      10.94856 
1 1 1 9   11 20 o 113.8700 3.562742 636.0200       39.66113 707.1000       68.35376 599.9436       48.69680 119.8532 5.844102 110.5134 4.511211 9.339783       7.382720 
1 1 1 9   11 21 o 103.4687 4.461245 526.0250       45.07642 0.000000       0.000000 526.0250       45.07642 ?        ?        103.4687 4.461245 ?              ?        
1 1 1 9   11 22 o 174.0072 3.871994 1484.339       65.94897 1434.000       123.6785 1504.339       77.95655 170.4929 7.428915 175.0610 4.553294 -4.568161      8.713281 
1 1 1 9   11 23 o 106.7271 3.617564 558.9655       37.73714 539.8000       58.06314 572.9821       49.65467 104.6712 5.688562 107.9596 4.710198 -3.288399      7.385507 
1 1 1 9   11 24 o 161.9940 5.393346 1290.440       85.39993 0.000000       0.000000 1290.440       85.39993 ?        ?        161.9940 5.393346 ?              ?        
1 1 1 9   11 25 o 166.4133 4.400107 1359.923       71.61045 0.000000       0.000000 1359.923       71.61045 ?        ?        166.4133 4.400107 ?              ?        
1 1 1 9   11 26 f 68.68697 4.154413 232.3273       27.80066 0.000000       0.000000 232.3273       27.80066 ?        ?        68.68697 4.154413 ?              ?        
1 1 1 9   11 27 o 201.4200 4.954577 1993.663       97.68217 1966.000       164.6999 2008.673       121.3240 199.0668 8.471933 201.8638 6.147358 -2.796997      10.46727 
1 1 1 9   11 28 o 220.7982 4.559360 2395.201       98.53842 2482.595       140.4883 2310.572       138.2475 224.2811 6.405992 216.3274 6.536391 7.953705       9.152111 
1 1 1 9   11 29 o 177.2384 3.895520 1542.371       67.58177 1616.431       95.92570 1469.384       95.22823 181.0930 5.417710 172.5995 5.644228 8.493530       7.823611 
1 1 1 9   11 30 o 174.4724 3.870388 1495.346       66.09785 1606.034       95.11899 1391.987       91.91624 180.4215 5.392130 167.9036 5.600596 12.51790       7.774429 
1 1 1 9   11 31 o 211.2181 4.426818 2195.718       91.52275 2306.841       131.5394 2091.439       127.4241 215.8174 6.233306 205.4422 6.344196 10.37521       8.893982 
1 1 1 9   11 32 o 99.28573 3.119792 484.5008       30.28164 498.2954       40.67535 467.3492       45.35527 100.5295 4.142506 97.23180 4.780206 3.297661       6.325403 
1 1 1 9   11 33 o 145.9649 3.526421 1047.796       50.38355 1107.644       70.96882 986.9794       71.54082 149.6772 4.850421 141.1775 5.185860 8.499695       7.100685 
1 1 1 9   11 34 o 159.4122 3.701810 1251.337       57.76196 1317.868       82.03513 1185.920       81.34475 163.0543 5.146423 154.5750 5.384531 8.479355       7.448412 
1 1 1 9   11 35 o 101.7362 3.173219 509.6484       31.56099 519.2315       43.00869 498.4662       46.45866 102.4311 4.299170 100.2364 4.748668 2.194794       6.405678 
1 1 1 9   11 36 f 16.82970 6.521519 9.329706       15.32492 -0.8623531     18.93697 28.67137       26.08713 15.77191 6.786677 24.85669 8.696916 -9.084780      11.03156 
1 1 1 9   11 37 o 135.9846 3.471183 912.5508       46.16556 929.8345       63.90482 893.6854       66.76498 136.7629 4.781096 133.9306 5.102200 2.832291       6.992233 
1 1 1 9   11 38 o 98.38435 3.657680 478.8052       35.16261 465.4557       42.42450 508.1000       62.84609 96.74051 4.492517 100.2579 6.438057 -3.517395      7.850560 
1 1 1 9   11 39 o 60.35048 3.684700 180.7272       21.66278 168.7867       27.92519 198.7712       34.32825 57.98826 4.967637 62.74274 5.650075 -4.754478      7.523348 
1 1 1 9   11 40 o 63.16721 4.209035 198.9397       25.87591 193.9606       28.90936 219.0000       58.02752 62.20147 4.784979 64.01199 9.553158 -1.810524      10.68451 
1 1 1 9   11 41 o 73.12281 3.463836 265.0347       24.72180 288.8274       33.25835 235.6554       36.95727 76.02141 4.489485 68.24845 5.580931 7.772957       7.162560 
1 1 1 9   11 42 o 56.33086 3.879172 158.3607       21.25846 153.8879       28.12573 164.3212       32.46754 55.07514 5.281919 56.66914 5.941475 -1.594006      7.949830 
1 1 1 9   11 43 o 61.80939 3.739076 190.6119       22.51589 173.1922       29.52127 214.8374       34.81382 58.37651 5.221508 64.92226 5.530992 -6.545742      7.606314 
1 1 1 9   11 44 o 52.99448 4.130829 141.2744       21.25848 148.4178       28.06330 131.6558       32.56439 53.82272 5.399663 50.00137 6.832078 3.821342       8.708252 
1 1 1 9   11 45 o 36.57062 5.444183 69.41708       18.89492 43.72290       24.26432 109.0016       30.11713 28.19966 8.261266 45.24826 7.027879 -17.04861      10.84618 
1 1 1 9   11 46 o 68.95304 3.653763 237.9026       24.57237 243.4100       32.91797 230.9718       36.92783 69.15538 4.894586 66.90807 5.692571 2.247307       7.507485 
1 1 1 9   11 47 o 23.68922 7.440426 30.00902       19.21819 46.99000       27.97257 14.82785       26.44865 28.95449 8.958433 20.90697 8.418718 8.047527       12.29343 
1 1 1 9   11 48 o 48.84040 4.823335 122.2305       22.75788 118.0000       33.13015 126.0102       31.31548 46.55483 7.527034 48.58929 6.767754 -2.034462      10.12219 
1 1 1 9   11 49 o 19.46724 7.288724 16.82551       18.73166 45.69000       26.17336 -13.48190      26.81958 28.40396 8.642976 16.21308 7.438833 12.19088       11.40339 
1 1 1 9   11 50 o 19.49004 8.507168 2.058000       30.63043 0.000000       0.000000 2.058000       30.63043 ?        ?        19.49004 8.507168 ?              ?        
1 1 1 9   11 51 o 31.70399 8.578938 58.35517       27.26464 27.33000       43.53905 78.37000       34.97019 25.70132 10.62798 36.10531 9.692595 -10.40399      14.38403 
1 1 1 9   11 52 o 28.85348 7.787017 47.42371       22.49895 46.18881       24.98462 52.72000       51.74188 28.29131 8.407959 30.20973 11.90203 -1.918415      14.57231 
1 1 1 9   11 53 o 28.13391 7.035997 44.23228       19.32413 46.30756       25.23589 41.29047       30.04606 28.29085 8.460382 26.92212 9.338917 1.368734       12.60133 
1 1 1 9   11 54 o 33.81020 6.063048 61.73023       19.32812 66.81868       26.17271 55.62647       28.66519 34.13917 7.976762 30.63167 8.980761 3.507500       12.01178 
1 1 1 9   11 55 o 22.69412 7.416163 28.13456       18.95454 26.96102       25.75896 29.52035       27.99154 23.02021 8.561473 23.88875 8.916886 -0.8685360     12.36162 
1 1 1 9   11 56 o 36.13685 5.865902 70.16044       20.03790 78.20621       27.68843 61.31290       29.03525 36.95753 7.893913 32.03354 8.927822 4.924000       11.91721 
1 1 1 9   11 57 o 24.64868 7.401436 34.29312       19.28421 44.55338       27.10559 23.77697       27.44150 27.53169 8.858608 22.42646 8.716649 5.105238       12.42799 
1 1 1 9   11 58 o 25.19014 7.414911 36.28469       19.50761 37.02398       27.75198 35.56263       27.42674 25.39638 8.963361 25.01883 8.902869 0.3775501      12.63340 
1 1 1 9   11 59 o 15.49142 6.720512 1.647558       18.87106 -14.16712      27.40519 15.90809       26.02379 15.89015 7.371713 20.23945 8.276529 -4.349302      11.08346 
1 1 1 9   12 0  f 234.6850 4.746563 2697.870       109.0362 2705.624       155.5235 2690.375       152.9108 234.8201 6.773427 234.1653 6.678101 0.6547852      9.511906 
1 1 1 9   12 1  o 246.6664 6.999564 2985.818       168.8293 3135.000       248.0178 2857.000       230.4684 252.4034 10.05894 240.9695 9.791483 11.43385       14.03764 
1 1 1 9   12 2  o 354.2650 9.616411 6169.077       333.1544 6091.000       468.4226 6249.000       473.9287 351.2418 13.65064 355.7786 13.63426 -4.536774      19.29334 
1 1 1 9   12 3  o 516.9804 13.77522 13189.31       696.4531 13260.00       989.8266 13120.00       980.1119 516.1819 19.62646 513.4851 19.53595 2.696777       27.69208 
1 1 1 9   12 4  o 289.1247 6.529394 4098.392       184.7840 4386.000       336.7086 3974.440       221.0448 298.3177 11.55289 284.4884 7.945755 13.82928       14.02157 
1 1 1 9   12 5  o 54.68618 4.553946 147.5067       24.15549 130.1569       32.89892 167.8000       35.58048 51.08022 6.744601 58.15949 6.353286 -7.079277      9.265737 
1 1 1 9   12 6  o 354.6459 6.794437 6168.301       235.8602 5877.507       323.1796 6499.693       345.0023 345.7049 9.559811 363.5294 9.704313 -17.82449      13.62218 
1 1 1 9   12 7  o 510.1711 9.580461 12793.27       478.4191 13378.07       698.7188 12277.11       656.4328 520.3461 13.73041 498.5515 13.46393 21.79462       19.23022 
1 1 1 9   12 8  f 382.7434 8.445131 7194.959       316.3882 6879.597       375.8423 7962.000       586.1515 373.8043 10.28177 400.8469 14.96540 -27.04257      18.15704 
1 1 1 9   12 9  o 247.1343 7.093497 2999.468       171.4155 2841.000       236.7745 3174.000       248.4856 240.0820 10.09811 253.7987 10.02214 -13.71666      14.22726 
1 1 1 9   12 10 o 102.7915 3.758584 518.2207       37.75339 463.6117       46.09530 629.5000       65.80086 97.14249 4.863228 113.1430 5.962569 -16.00052      7.694362 
1 1 1 9   12 11 o 122.5712 3.780488 736.6138       45.30258 718.4000       76.40002 746.4907       56.26057 120.8300 6.483442 123.3327 4.668791 -2.502731      7.989532 
1 1 1 9   12 12 o 158.4830 5.102451 1232.604       79.04989 1163.000       107.9767 1313.000       116.0457 153.7276 7.195797 163.3513 7.275984 -9.623657      10.23325 
1 1 1 9   12 13 o 174.7088 4.457541 1496.891       76.16605 1264.000       118.7032 1659.882       99.30426 160.2071 7.591223 183.8837 5.523458 -23.67661      9.388039 
1 1 1 9   12 14 o 145.2072 4.023717 1033.972       57.13510 918.1000       91.13743 1108.999       73.33563 136.5565 6.840109 150.3094 4.991434 -13.75294      8.467674 
1 1 1 9   12 15 o 204.8350 4.966626 2057.431       99.57992 1873.000       160.3044 2173.317       127.0706 194.9068 8.422456 210.3235 6.179059 -15.41673      10.44598 
1 1 1 9   12 16 o 126.0006 4.809101 779.6199       59.20313 0.000000       0.000000 779.6199       59.20313 ?        ?        126.0006 4.809101 ?              ?        
1 1 1 9   12 17 o 255.1314 5.904914 3195.662       147.4632 3019.000       242.9334 3298.733       185.5599 247.0464 10.06730 258.8928 7.329852 -11.84641      12.45301 
1 1 1 9   12 18 o 109.6287 3.745683 589.6688       40.13500 638.3000       66.40869 561.6846       50.37600 113.8535 5.979952 106.9028 4.826698 6.950706       7.684844 
1 1 1 9   12 19 o 74.51507 4.492648 273.2827       32.61600 259.6000       42.58439 292.7000       50.72927 72.44642 6.060686 76.85771 6.813711 -4.411293      9.119132 
1 1 1 9   12 20 o 289.6881 8.067898 4138.550       228.5463 4372.000       332.3013 3929.000       314.8323 296.6142 11.46708 281.1642 11.46370 15.44998       16.21451 
1 1 1 9   12 21 o 124.6104 5.087156 763.3907       61.91865 0.000000       0.000000 763.3907       61.91865 ?        ?        124.6104 5.087156 ?              ?        
1 1 1 9   12 22 o 184.8624 4.631610 1677.745       83.74223 1701.000       141.6900 1665.261       103.8143 185.6098 7.816375 184.0148 5.770793 1.594971       9.715851 
1 1 1 9   12 23 o 148.0353 5.093367 1077.253       73.69348 1225.000       103.8859 927.6000       104.5539 157.6195 6.749121 136.9292 7.833463 20.69023       10.33991 
1 1 1 9   12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   12 25 o 78.32565 3.164928 301.1750       24.21469 246.1000       40.26680 332.3743       30.30696 70.49299 5.889499 82.23828 3.775044 -11.74529      6.995510 
1 1 1 9   12 26 o 166.5054 5.434690 1364.793       88.45596 0.000000       0.000000 1364.793       88.45596 ?        ?        166.5054 5.434690 ?              ?        
1 1 1 9   12 27 o 125.1999 3.857780 769.9392       47.22032 782.4000       77.94034 762.7129       59.35353 125.8245 6.348874 124.4751 4.880905 1.349312       8.008211 
1 1 1 9   12 28 f 176.4089 4.554131 1530.519       78.57220 1762.000       144.2295 1432.828       93.69625 188.4071 7.837906 170.4629 5.623167 17.94424       9.646387 
1 1 1 9   12 29 o 129.2040 3.909830 820.7158       49.39012 849.7000       83.59650 805.1730       61.21680 130.9417 6.543077 127.8083 4.902431 3.133423       8.175921 
1 1 1 9   12 30 o 107.9938 3.092126 572.7331       32.65237 526.6943       42.46394 639.3340       51.07386 103.4068 4.204084 113.8783 4.591377 -10.47147      6.225357 
1 1 1 9   12 31 o 41.66305 3.966096 86.13952       15.97923 81.48593       19.58266 95.41207       27.64250 40.32965 5.072631 43.35191 6.732546 -3.022259      8.429636 
1 1 1 9   12 32 o 42.54224 4.003792 89.87582       16.47638 84.22745       20.14261 101.2972       28.64270 40.97465 5.134637 44.63976 6.767106 -3.665112      8.494599 
1 1 1 9   12 33 o 82.26116 3.118078 333.0264       25.06116 318.6986       32.69712 353.4298       39.01858 80.29192 4.174704 84.44651 4.739470 -4.154594      6.315910 
1 1 1 9   12 34 o 80.11596 3.189055 316.1620       24.95851 297.8966       32.26581 343.3721       39.38153 77.56501 4.266249 83.15349 4.859626 -5.588478      6.466595 
1 1 1 9   12 35 o 101.8057 3.158760 510.5485       31.43903 506.4833       42.05546 515.6981       47.33418 101.1327 4.257918 101.9027 4.758652 -0.7699890     6.385502 
1 1 1 9   12 36 o 40.46590 4.459781 82.05804       17.37220 61.32574       21.35533 122.6195       29.87027 34.40961 6.580178 49.07075 6.368964 -14.66114      9.157644 
1 1 1 9   12 37 f 21.21529 7.458898 20.51163       19.20400 20.51163       19.20400 0.000000       0.000000 21.21529 7.458898 ?        ?        ?              ?        
1 1 1 9   12 38 o 25.95282 6.390561 35.25361       16.12458 28.30051       19.89488 48.56558       27.52791 23.71039 7.585482 30.27568 8.779442 -6.565285      11.60251 
1 1 1 9   12 39 o 91.44794 4.379910 416.3143       39.09138 416.3143       39.09138 0.000000       0.000000 91.44794 4.379910 ?        ?        ?              ?        
1 1 1 9   12 40 o 23.70311 6.900946 29.26002       16.97762 18.55584       21.06270 49.11469       28.68592 20.96752 7.752234 30.31782 9.009008 -9.350296      11.88526 
1 1 1 9   12 41 o 46.69183 4.360527 109.4835       19.69856 114.2936       25.72785 102.6688       30.62320 47.31355 5.668024 44.20271 7.334726 3.110836       9.269558 
1 1 1 9   12 42 o 79.83502 3.464782 316.4968       27.01097 329.6418       36.58649 300.7484       40.04608 81.02450 4.632463 77.05846 5.342328 3.966034       7.071080 
1 1 1 9   12 43 o 34.38878 5.676435 61.50831       18.44120 68.84606       23.93458 50.78857       28.92920 35.90915 7.061254 30.37364 9.052412 5.535511       11.48074 
1 1 1 9   12 44 o 34.73728 5.670537 62.97835       18.61630 58.26134       24.03148 70.05688       29.43872 32.65115 7.653358 35.48009 8.573166 -2.828941      11.49230 
1 1 1 9   12 45 o 54.31213 4.074142 148.5690       21.50119 125.7384       28.04042 181.1484       33.49643 49.15311 5.949011 59.15159 5.862337 -9.998478      8.352110 
1 1 1 9   12 46 o 40.12326 5.045093 82.94033       19.37696 70.52740       25.11675 101.1899       30.45454 35.96578 7.382122 43.21087 7.470516 -7.245090      10.50259 
1 1 1 9   12 47 o 42.14071 4.759702 91.03175       19.28987 98.84482       25.59655 80.76188       29.34628 43.27682 6.221104 38.10633 8.116528 5.170498       10.22644 
1 1 1 9   12 48 o 15.76047 6.567318 4.711736       16.80495 5.652591       21.75925 3.321045       26.45439 17.64893 7.421575 18.63610 8.020302 -0.9871693     10.92726 
1 1 1 9   12 49 o 55.84030 4.856209 160.0350       26.27938 129.7000       34.30841 203.1000       40.87817 48.75626 7.422867 61.57950 6.900403 -12.82323      10.13482 
1 1 1 9   12 50 o 12.81704 6.025864 -17.43439      19.33680 -20.22000      25.32522 -13.54000      29.94419 14.79910 6.938161 17.12421 7.858117 -2.325116      10.48275 
1 1 1 9   12 51 o 23.23941 8.449905 27.78362       24.86113 39.08000       28.83017 -4.980000      49.09908 26.40486 9.148614 22.59587 10.25042 3.808992       13.73929 
1 1 1 9   12 52 o 28.81314 7.465929 46.88034       21.22545 32.92000       31.60681 58.34752       28.64580 25.14190 9.456432 31.47912 8.901657 -6.337217      12.98705 
1 1 1 9   12 53 o 64.10531 4.756484 211.7755       29.63336 162.8000       49.77466 238.6653       36.88190 51.79172 10.18155 67.39911 5.642260 -15.60739      11.64040 
1 1 1 9   12 54 o 75.82830 4.445615 294.2777       32.85187 196.0000       53.47814 353.8428       41.63371 57.14785 9.919877 82.53825 5.179389 -25.39040      11.19062 
1 1 1 9   12 55 o 34.37444 6.270456 64.24391       20.32085 63.51308       27.79452 65.08315       29.78462 32.88955 8.554190 33.05078 8.976484 -0.1612282     12.39965 
1 1 1 9   12 56 f 50.01300 4.627407 129.2797       22.39625 113.9183       31.10178 145.8241       32.27707 45.24120 7.269561 51.87105 6.499444 -6.629856      9.751373 
1 1 1 9   12 57 o 45.08654 5.031855 106.4925       21.82845 120.1817       31.38285 93.66280       30.38167 46.49802 7.121722 40.35075 7.975091 6.147266       10.69210 
1 1 1 9   12 58 o 27.35749 7.421940 43.18797       20.37513 57.88439       30.26085 30.99962       27.55800 30.62009 9.288493 23.85541 8.858577 6.764679       12.83552 
1 1 1 9   12 59 f 20.60014 7.850747 20.75128       21.95394 23.75073       30.99145 17.73000       31.10398 22.59148 9.107421 21.50693 8.946043 1.084549       12.76624 
1 1 1 9   13 0  o 215.4625 4.437213 2274.087       93.58110 2270.736       133.4184 2277.333       131.2945 215.1105 6.343404 215.4330 6.232824 -0.3224945     8.893080 
1 1 1 9   13 1  o 634.7205 11.85185 19843.44       736.3342 20692.70       1072.444 19086.04       1012.783 645.7849 16.98078 620.3323 16.69478 25.45258       23.81308 
1 1 1 9   13 2  o 306.9709 6.876612 4621.895       206.6226 4482.000       352.9344 4694.846       254.8649 301.3860 11.98759 309.1004 8.431602 -7.714386      14.65586 
1 1 1 9   13 3  o 479.4629 10.42097 11308.55       489.0681 10900.00       826.9602 11528.31       606.5022 467.9943 18.08657 483.2974 12.83205 -15.30307      22.17624 
1 1 1 9   13 4  o 272.2527 6.199184 3634.371       165.2011 3760.000       294.3849 3576.623       199.5911 276.1682 10.91167 269.8535 7.563721 6.314789       13.27684 
1 1 1 9   13 5  o 30.75832 8.073761 48.14177       24.61086 21.33000       42.52993 61.64000       30.17661 27.50068 10.80403 34.75775 8.848218 -7.257069      13.96489 
1 1 1 9   13 6  f 303.4813 5.908200 4515.728       175.5065 4431.328       246.5084 4602.490       249.9346 300.2386 8.396255 305.9935 8.352458 -5.754852      11.84317 
1 1 1 9   13 7  o 115.2349 3.846907 651.1431       43.33041 619.9664       54.17505 706.5000       72.18884 112.3676 4.937574 119.8662 6.173517 -7.498642      7.905185 
1 1 1 9   13 8  o 330.5816 7.367491 5365.203       238.3990 5482.000       422.4971 5310.645       288.7600 332.8243 12.99385 328.5261 8.988127 4.298187       15.79957 
1 1 1 9   13 9  o 312.4659 7.039671 4792.830       215.3086 4637.768       258.6231 5143.000       388.6458 307.0208 8.614355 322.4460 12.33652 -15.42514      15.04649 
1 1 1 9   13 10 o 170.6857 4.411306 1428.586       73.63873 1356.000       122.9250 1469.214       91.96697 165.9725 7.586613 173.0119 5.437375 -7.039413      9.333903 
1 1 1 9   13 11 o 161.0084 5.253854 1272.504       82.68959 1336.000       117.8838 1211.000       116.0200 164.7547 7.328214 156.8101 7.581256 7.944626       10.54411 
1 1 1 9   13 12 o 220.4455 5.250950 2383.169       113.3040 2169.000       183.2648 2515.685       144.1565 209.7176 8.948233 226.2757 6.515424 -16.55806      11.06895 
1 1 1 9   13 13 o 142.4159 4.836900 995.5679       67.32883 962.9000       93.34177 1031.000       97.21070 139.8495 6.839558 144.7165 6.882342 -4.866928      9.702895 
1 1 1 9   13 14 o 254.4482 5.886530 3177.528       146.6104 2888.000       236.9875 3357.036       186.6049 241.7331 10.03758 261.2392 7.304745 -19.50613      12.41420 
1 1 1 9   13 15 o 174.3661 4.483208 1491.532       76.45341 1311.000       120.8882 1611.870       98.69834 163.0917 7.593460 181.1535 5.572802 -18.06186      9.418957 
1 1 1 9   13 16 o 47.52115 5.269809 112.1536       24.10095 76.37000       37.07119 138.3505       31.71903 38.59517 9.797338 52.70596 6.271110 -14.11079      11.63248 
1 1 1 9   13 17 o 167.6977 4.389683 1379.851       71.99345 1235.000       113.9666 1476.038       92.86991 158.2693 7.376853 173.3277 5.480840 -15.05840      9.190080 
1 1 1 9   13 18 o 52.58402 5.457541 137.1830       27.68231 145.3000       36.72276 126.5000       42.12914 53.88609 7.137661 49.89711 8.954875 3.988976       11.45146 
1 1 1 9   13 19 o 221.9844 5.318370 2418.969       115.5599 2422.000       195.7855 2417.348       143.1561 221.3113 9.057101 221.6321 6.606267 -0.3207397     11.21043 
1 1 1 9   13 20 o 91.50765 5.056974 412.2315       45.11930 0.000000       0.000000 412.2315       45.11930 ?        ?        91.50765 5.056974 ?              ?        
1 1 1 9   13 21 f 184.0484 5.704384 1665.711       102.6413 1669.000       140.9764 1662.000       149.7325 183.8424 7.852287 183.3456 8.365369 0.4967194      11.47335 
1 1 1 9   13 22 o 222.6076 6.522861 2440.172       141.9762 2337.000       191.5336 2566.000       211.5204 217.2371 9.027180 227.5017 9.519673 -10.26460      13.11923 
1 1 1 9   13 23 o 227.9730 5.409618 2553.634       120.7136 2929.000       223.6586 2399.345       143.3921 243.0066 9.420735 220.6591 6.646492 22.34747       11.52936 
1 1 1 9   13 24 o 88.20276 3.118310 381.7599       26.87966 403.5000       49.40148 372.6169       32.03712 90.42276 5.609182 87.08534 3.767304 3.337418       6.756886 
1 1 1 9   13 25 o 100.0587 4.571922 492.6411       44.65917 0.000000       0.000000 492.6411       44.65917 ?        ?        100.0587 4.571922 ?              ?        
1 1 1 9   13 26 o 266.6416 5.314420 3497.026       138.7043 3326.000       264.4427 3561.936       162.9131 257.9848 10.49394 268.8662 6.190326 -10.88147      12.18372 
1 1 1 9   13 27 o 135.3989 3.362076 899.2543       44.55833 952.1119       62.12726 843.2637       63.94193 139.1154 4.568676 130.8439 5.001801 8.271439       6.774276 
1 1 1 9   13 28 o 142.1532 4.950898 995.7109       68.78336 1038.000       96.26477 951.6000       98.31640 144.7115 6.815223 138.4194 7.282043 6.292084       9.973736 
1 1 1 9   13 29 f 54.17475 4.389107 145.2978       23.07529 137.2000       35.55936 151.1883       30.32814 52.13010 7.157588 55.05692 5.710489 -2.926815      9.156460 
1 1 1 9   13 30 o 159.7664 4.335943 1257.336       67.74444 1423.000       122.0463 1183.564       81.44292 168.9536 7.397844 154.7337 5.385483 14.21985       9.150493 
1 1 1 9   13 31 o 81.71573 3.865161 329.2646       30.82810 390.7000       53.08947 298.0105       37.86629 88.54510 6.163931 77.52840 5.016764 11.01670       7.947451 
1 1 1 9   13 32 o 86.46412 3.086141 367.7708       26.07719 344.7158       33.59794 402.7034       41.35672 83.53683 4.121654 90.18521 4.701177 -6.648376      6.252127 
1 1 1 9   13 33 o 53.79212 3.529130 143.0309       18.47937 145.3728       23.13807 138.9062       30.70749 54.08438 4.408897 52.49512 6.088929 1.589264       7.517541 
1 1 1 9   13 34 o 56.04427 3.514846 155.3206       19.18454 146.5524       24.12917 170.3885       31.63110 54.23371 4.588359 58.26477 5.615777 -4.031063      7.251895 
1 1 1 9   13 35 o 97.62984 3.210187 469.8542       30.63572 509.4696       41.29316 421.3517       45.69074 101.4210 4.168412 91.94189 5.096963 9.479088       6.584428 
1 1 1 9   13 36 o 62.65948 3.742401 194.5737       22.84862 197.0573       26.99500 188.3000       42.90461 62.90844 4.411951 60.56362 7.390336 2.344818       8.607111 
1 1 1 9   13 37 o 116.8211 3.329750 673.7209       38.03610 662.5167       50.72561 688.1124       57.48944 115.4354 4.497944 117.4264 5.013217 -1.991074      6.735269 
1 1 1 9   13 38 o 11.52227 5.460451 -19.12045      16.47010 -20.61353      17.47788 -7.282000      49.21478 11.81893 5.608038 24.02288 10.62366 -12.20395      12.01300 
1 1 1 9   13 39 o 27.08566 6.356353 38.51567       16.56061 32.47971       20.65257 49.38670       27.71634 25.05405 7.687994 30.40718 8.807032 -5.353125      11.69055 
1 1 1 9   13 40 o 43.12163 4.806597 93.95156       19.94349 87.41988       23.90681 108.9000       36.16655 41.18076 6.116414 45.12199 8.500410 -3.941231      10.47222 
1 1 1 9   13 41 o 42.55940 5.497753 92.71529       22.36818 110.2740       24.55961 7.288000       54.17183 46.46560 5.506806 26.39249 11.41821 20.07312       12.67677 
1 1 1 9   13 42 o 77.08176 3.488164 295.4191       26.24992 292.1662       34.40106 299.9529       40.61361 76.20167 4.634033 76.82433 5.436010 -0.6226578     7.143141 
1 1 1 9   13 43 o 27.29642 6.635429 39.97194       17.55385 61.43044       22.58182 7.206059       27.90423 33.81233 7.051664 19.99566 8.406187 13.81667       10.97223 
1 1 1 9   13 44 o 34.44046 5.547131 61.84251       18.06503 47.53650       23.34117 83.21297       28.52793 29.38474 7.931870 39.09394 7.729134 -9.709204      11.07493 
1 1 1 9   13 45 o 14.09586 6.159005 -1.732482      16.09060 2.955449       20.57397 -9.116214      25.82054 16.80208 7.147849 16.58851 7.488192 0.2135677      10.35204 
1 1 1 9   13 46 o 19.93707 6.983356 19.35540       16.82284 4.671796       21.69068 41.52110       26.65003 17.49511 7.386286 27.42883 8.779770 -9.933722      11.47352 
1 1 1 9   13 47 o 29.70271 6.442595 47.62999       18.19100 41.02835       23.36385 57.79277       28.98845 27.17667 8.143655 31.78556 8.943099 -4.608891      12.09538 
1 1 1 9   13 48 o 38.81366 5.703271 79.23798       21.02209 61.48003       25.87759 113.7000       36.04938 33.02721 8.073660 44.94496 8.505696 -11.91775      11.72736 
1 1 1 9   13 49 o 35.88959 6.072813 68.73512       20.57350 62.57814       25.86074 79.35000       33.95590 33.26505 8.033648 36.74116 9.403470 -3.476105      12.36789 
1 1 1 9   13 50 o 35.25914 7.054964 68.63725       23.49781 66.24300       26.16182 78.63000       53.44728 34.12077 7.976908 34.68448 12.41860 -0.5637054     14.75983 
1 1 1 9   13 51 o 33.49096 6.102677 60.54090       19.26887 36.32672       25.36887 93.55890       29.62384 25.47845 8.587998 40.82971 7.694566 -15.35126      11.53083 
1 1 1 9   13 52 o 40.89635 6.151706 89.69514       23.86355 125.4000       40.53865 70.76176       29.52023 46.16390 9.293358 34.78868 8.694062 11.37522       12.72608 
1 1 1 9   13 53 o 37.20125 6.812791 76.08844       23.89392 103.2000       41.51120 62.65528       29.21980 40.75693 10.37900 32.51558 8.915605 8.241352       13.68253 
1 1 1 9   13 54 o 34.11752 7.449459 65.69478       24.17858 60.59000       40.88453 68.44035       29.98382 31.17252 10.88892 33.94691 8.912025 -2.774393      14.07099 
1 1 1 9   13 55 o 27.07464 9.258097 42.67747       29.49266 0.000000       0.000000 42.67747       29.49266 ?        ?        27.07464 9.258097 ?              ?        
1 1 1 9   13 56 o 36.30806 8.130356 76.33481       28.17452 101.6000       46.24371 61.42000       35.53041 39.21194 11.38149 31.40525 10.14563 7.806686       15.24704 
1 1 1 9   13 57 o 29.97923 8.113346 52.80666       24.38354 131.0000       47.83095 25.35024       28.34302 44.90601 10.97586 22.76636 8.855890 22.13965       14.10306 
1 1 1 9   13 58 o 50.51794 5.330072 135.2907       25.95950 152.3383       35.85073 116.5000       37.63907 52.05708 7.230721 43.84396 9.069884 8.213120       11.59940 
1 1 1 9   14 0  f 286.6706 5.613425 4028.738       157.5133 4085.979       226.0272 3974.693       219.6257 288.3395 8.016262 284.4003 7.897098 3.939240       11.25276 
1 1 1 9   14 1  o 276.6445 5.445521 3751.526       147.4578 3792.199       211.4070 3712.989       205.7804 277.8033 7.782228 274.9023 7.654952 2.901001       10.91611 
1 1 1 9   14 2  o 267.3915 5.289716 3504.521       138.4478 3579.521       199.6001 3434.980       192.1992 269.9198 7.562199 264.4270 7.433110 5.492737       10.60368 
1 1 1 9   14 3  o 351.6663 7.790804 6072.828       268.1756 5553.000       439.4743 6381.236       338.5060 334.9157 13.43302 360.0449 9.613737 -25.12924      16.51878 
1 1 1 9   14 4  o 64.02024 3.905109 201.5091       24.35488 162.2000       50.57573 213.3766       27.78914 56.67676 9.449047 65.85188 4.335340 -9.175117      10.39614 
1 1 1 9   14 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 6  f 199.1085 5.964933 1946.187       116.1213 1976.000       169.8108 1920.000       159.1479 200.2893 8.682286 197.4873 8.251130 2.802032       11.97761 
1 1 1 9   14 7  o 166.6635 4.411084 1362.064       71.89687 1285.046       86.67137 1532.000       128.7422 161.7926 5.480726 176.4561 7.470710 -14.66344      9.265520 
1 1 1 9   14 8  o 52.29444 4.456092 134.9863       22.59242 92.94000       44.51951 149.5702       26.21941 42.59116 10.69530 55.01915 4.920471 -12.42799      11.77287 
1 1 1 9   14 9  o 123.5104 3.235375 747.6520       39.08051 733.3000       79.83708 752.1746       44.81702 122.0308 6.709709 123.8567 3.700879 -1.825897      7.662682 
1 1 1 9   14 10 o 165.6671 4.356612 1346.030       70.58530 1196.000       114.2145 1438.740       89.78340 155.8224 7.510449 171.1911 5.364694 -15.36876      9.229669 
1 1 1 9   14 11 o 69.42827 4.087694 237.0293       27.65636 178.9000       46.49936 268.8486       34.40287 59.76360 8.161887 73.89806 4.781822 -14.13445      9.459504 
1 1 1 9   14 12 o 400.4576 8.810577 7897.398       345.3561 7736.000       588.0826 7982.360       426.6816 393.6223 15.29254 401.8195 10.85838 -8.197235      18.75543 
1 1 1 9   14 13 o 99.86376 3.760659 489.3499       36.69454 453.3000       60.82316 509.9795       46.01109 95.84989 6.521773 101.8837 4.625790 -6.033821      7.995715 
1 1 1 9   14 14 o 197.9721 4.872974 1922.222       94.42876 1822.000       156.7413 1979.321       118.3086 192.1707 8.352730 200.6887 6.029480 -8.518021      10.30159 
1 1 1 9   14 15 o 221.9458 5.299562 2417.246       115.1312 2324.000       192.0844 2469.527       143.8302 216.8854 9.068068 224.0799 6.564620 -7.194427      11.19482 
1 1 1 9   14 16 f 160.9574 5.207477 1272.666       81.93559 1220.000       112.1323 1333.000       120.0182 157.3033 7.302526 164.4132 7.477257 -7.109863      10.45162 
1 1 1 9   14 17 f 179.2954 5.578289 1579.901       97.77946 1608.000       137.3195 1551.000       139.2631 180.5291 7.789361 177.2461 8.047997 3.283005       11.20020 
1 1 1 9   14 18 o 200.8843 4.967275 1980.284       97.67207 1958.000       163.3733 1992.680       121.8447 199.0845 8.402627 201.2695 6.192119 -2.185043      10.43774 
1 1 1 9   14 19 o 230.4196 5.469903 2607.259       123.3688 2485.000       203.7750 2677.998       155.0036 224.0479 9.312185 233.2129 6.797460 -9.165024      11.52919 
1 1 1 9   14 20 o 123.6889 4.822332 751.9360       58.27214 787.1000       78.38756 708.5000       87.12109 126.3582 6.358217 119.6961 7.473246 6.662071       9.812051 
1 1 1 9   14 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 22 o 95.00345 4.773752 444.2043       44.24983 0.000000       0.000000 444.2043       44.24983 ?        ?        95.00345 4.773752 ?              ?        
1 1 1 9   14 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   14 24 o 131.1698 3.916598 844.8668       50.22989 859.6000       82.73913 836.2674       63.21127 131.9419 6.425839 130.3688 4.962591 1.573181       8.119034 
1 1 1 9   14 25 o 118.5272 3.772943 689.9775       43.71707 711.0000       71.25436 677.2871       55.36139 119.9887 6.086756 117.2992 4.832107 2.689499       7.771605 
1 1 1 9   14 26 o 234.4889 6.791592 2717.639       155.7192 2831.000       222.0817 2608.000       218.4048 238.2062 9.544071 228.5043 9.787432 9.701874       13.67052 
1 1 1 9   14 27 o 130.7395 4.693464 841.7333       59.96546 895.0000       82.34741 781.6000       87.49435 134.4972 6.272322 125.4599 7.154398 9.037323       9.514590 
1 1 1 9   14 28 o 127.2369 3.288498 795.0607       40.92162 859.1106       57.05275 727.1956       58.72741 132.0858 4.419021 121.4128 4.952021 10.67298       6.637037 
1 1 1 9   14 29 o 138.9756 3.971666 950.4496       53.97242 874.1000       83.65427 1004.895       70.64204 132.6717 6.461173 142.6621 5.066855 -9.990387      8.210956 
1 1 1 9   14 30 o 78.25914 3.926316 302.0743       29.98038 362.5000       49.89305 267.9265       37.50690 85.33076 6.011972 73.46005 5.250820 11.87070       7.982162 
1 1 1 9   14 31 o 68.73548 4.159504 233.6395       27.85425 252.6000       45.59664 222.3512       35.18194 70.93230 6.644580 66.80359 5.427095 4.128716       8.579266 
1 1 1 9   14 32 o 57.45306 4.551163 164.0450       25.38526 144.8000       41.08514 175.9288       32.28525 53.04116 8.175798 59.27865 5.631725 -6.237488      9.927739 
1 1 1 9   14 33 o 63.24875 4.334599 198.5573       26.67311 235.5000       45.69867 179.4689       32.84912 68.20997 6.941219 59.81104 5.678995 8.398930       8.968361 
1 1 1 9   14 34 o 120.7587 3.730452 720.1472       44.04177 699.2012       52.30191 771.2000       81.65392 118.7430 4.508093 123.7195 6.768466 -4.976501      8.132345 
1 1 1 9   14 35 o 99.34361 3.562144 487.5008       34.58231 500.7873       41.75937 458.5000       61.69556 100.4937 4.254932 95.24883 6.659361 5.244904       7.902629 
1 1 1 9   14 36 o 56.67188 3.628679 159.2528       20.02325 143.8618       25.08621 186.2715       33.23791 53.57652 4.835588 60.77780 5.651815 -7.201279      7.438140 
1 1 1 9   14 37 o 91.13229 3.777034 411.5040       33.61917 419.7517       38.69366 386.1000       67.90834 91.87195 4.314851 86.37656 8.127464 5.495392       9.201827 
1 1 1 9   14 38 o 38.56742 4.858966 75.26091       17.93677 76.97367       22.54166 72.30466       29.61478 38.64234 6.166741 36.74405 8.415501 1.898289       10.43309 
1 1 1 9   14 39 o 62.86675 3.632648 196.2814       22.25856 187.1793       28.73697 209.9315       35.19151 61.03968 4.849586 64.38050 5.641359 -3.340816      7.439316 
1 1 1 9   14 40 o 42.59138 4.615834 91.57798       18.93601 91.60516       24.47845 91.53747       29.88166 42.12745 6.114736 41.54942 7.628428 0.5780296      9.776650 
1 1 1 9   14 41 o 17.43045 6.979433 8.759856       18.07058 9.914073       22.20271 6.495000       31.10159 19.01425 7.693133 20.91401 8.837938 -1.899761      11.71723 
1 1 1 9   14 42 o 19.63236 7.693157 13.74998       21.51719 21.16361       23.09761 -34.93000      59.18705 21.85565 8.111169 23.01232 10.72896 -1.156664      13.44997 
1 1 1 9   14 43 o 74.71941 3.585736 278.6319       26.14860 266.5474       34.97160 293.9542       39.37890 72.43996 4.962058 75.87518 5.336248 -3.435219      7.286808 
1 1 1 9   14 44 o 61.21363 3.768544 187.8247       22.47075 177.3540       29.56349 202.1500       34.57972 58.86105 5.184150 62.58482 5.707509 -3.723778      7.710452 
1 1 1 9   14 45 o 61.65201 3.777217 190.7443       22.68484 182.7619       30.18439 201.1045       34.38739 59.67900 5.219677 62.35242 5.697176 -2.673412      7.726762 
1 1 1 9   14 46 o 88.00351 3.400026 386.5656       29.23281 395.1198       39.59282 376.3134       43.34430 88.26682 4.598465 85.72717 5.189747 2.539658       6.933928 
1 1 1 9   14 47 o 24.42937 7.503479 32.53213       19.66727 43.66975       25.09761 14.81000       31.65877 27.87647 8.459620 21.94423 9.067424 5.932241       12.40094 
1 1 1 9   14 48 o 35.88896 6.320868 69.11150       21.39387 66.42595       27.36923 73.33000       34.30236 34.19845 8.268133 35.20061 9.663177 -1.002159      12.71767 
1 1 1 9   14 49 o 14.84611 6.801337 -11.26615      22.30552 -14.54167      24.70648 3.172000       51.87121 15.27458 7.055655 24.07312 10.76009 -8.798542      12.86708 
1 1 1 9   14 50 f 71.99313 3.628284 261.0190       25.48568 247.8356       34.03666 277.8427       38.44991 69.23712 5.057165 73.04524 5.416245 -3.808121      7.410171 
1 1 1 9   14 51 o 12.38366 5.816889 -15.87012      17.94840 -24.82537      24.15773 -4.835960      26.81556 13.79701 6.559999 17.22660 7.715506 -3.429591      10.12732 
1 1 1 9   14 52 o 55.06606 4.286654 155.0561       22.92325 122.6453       31.45161 191.7824       33.48013 47.28673 7.006829 60.28995 5.742581 -13.00322      9.059409 
1 1 1 9   14 53 o 27.18759 7.284016 41.77719       19.77391 48.53322       27.93594 34.99343       27.99321 28.68305 8.965099 25.17113 8.990293 3.511919       12.69639 
1 1 1 9   14 54 o 21.51486 7.547040 24.21264       19.65293 13.04509       27.76124 35.43213       27.82574 20.37384 8.461250 25.25086 8.969247 -4.877014      12.33046 
1 1 1 9   14 55 o 20.86139 8.046124 19.96555       23.24769 -31.51000      40.69906 44.89501       28.32307 18.02698 8.554893 27.58503 9.068438 -9.558054      12.46687 
1 1 1 9   14 56 o 21.58040 8.168590 22.80219       23.66914 30.44000       43.04393 19.49175       28.33809 25.58659 10.57270 21.62076 8.711390 3.965836       13.69928 
1 1 1 9   14 57 o 31.20149 8.755102 58.86103       27.82182 70.05000       45.37459 52.12000       35.21928 32.25920 11.45404 28.93764 10.10650 3.321562       15.27535 
1 1 1 9   14 58 o 22.73848 10.34971 2.816000       50.57642 0.000000       0.000000 2.816000       50.57642 ?        ?        22.73848 10.34971 ?              ?        
1 1 1 9   15 0  o 289.5634 5.668905 4111.892       160.6753 4017.349       224.8386 4210.565       229.6977 285.8110 8.044850 292.6117 8.027295 -6.800659      11.36473 
1 1 1 9   15 1  o 240.1066 6.881132 2832.290       161.5556 3233.000       250.5190 2547.000       211.3825 256.0144 10.01634 227.2791 9.522844 28.73535       13.82069 
1 1 1 9   15 2  f 309.3987 8.545877 4710.505       258.5623 4710.000       367.6269 4711.000       363.7288 308.5199 12.19761 308.5891 12.06503 -0.6921387E-01 17.15653 
1 1 1 9   15 3  o 182.0673 3.966480 1624.000       70.68764 1603.457       101.1962 1643.574       98.78239 180.7215 5.727920 182.9906 5.521304 -2.269119      7.955744 
1 1 1 9   15 4  o 196.6694 6.000920 1899.300       115.3858 1668.000       154.3856 2192.000       173.6722 183.9608 8.597624 210.9669 8.427221 -27.00616      12.03899 
1 1 1 9   15 5  o 261.0494 7.373610 3350.311       188.2235 3565.000       280.2993 3174.000       254.0140 268.6334 10.68126 253.5439 10.25641 15.08948       14.80822 
1 1 1 9   15 6  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 7  o 287.4031 6.494540 4055.116       182.7032 0.000000       0.000000 4055.116       182.7032 ?        ?        287.4031 6.494540 ?              ?        
1 1 1 9   15 8  o 317.1102 6.143257 4935.623       190.6844 4704.000       369.7558 5019.541       222.5627 308.0231 12.28848 319.6388 7.113555 -11.61566      14.19892 
1 1 1 9   15 9  o 72.60258 3.187576 258.6782       22.59743 217.6000       50.69538 268.8639       25.24407 66.03841 8.006001 74.00111 3.494972 -7.962708      8.735610 
1 1 1 9   15 10 o 246.1690 4.943254 2971.696       119.1112 2761.000       227.4895 3051.273       139.8067 236.3864 9.853397 249.3586 5.727926 -12.97221      11.39731 
1 1 1 9   15 11 o 108.5485 4.560894 578.6901       48.35165 525.6000       68.08778 632.7000       68.67513 103.2118 6.777088 113.3473 6.213644 -10.13555      9.194470 
1 1 1 9   15 12 o 230.9987 5.467217 2618.472       123.6181 2397.000       201.6228 2751.873       156.4799 220.2540 9.373543 236.5479 6.765184 -16.29391      11.55989 
1 1 1 9   15 13 o 157.4564 4.265283 1216.336       65.67712 1037.000       104.4481 1333.616       84.46505 145.0080 7.383018 164.7784 5.243530 -19.77039      9.055582 
1 1 1 9   15 14 o 182.0384 4.644780 1626.283       82.69504 1430.000       131.7036 1754.029       106.2503 170.2327 7.925784 188.9214 5.752398 -18.68878      9.793270 
1 1 1 9   15 15 o 103.9442 4.531883 530.8953       45.99812 574.0000       66.30343 490.9000       63.86729 107.8958 6.305537 99.71666 6.580195 8.179146       9.113658 
1 1 1 9   15 16 o 51.56562 5.907128 132.3102       29.27799 111.9000       41.89129 151.8000       40.93591 46.76924 9.475824 54.97365 7.828498 -8.204411      12.29132 
1 1 1 9   15 17 o 216.4589 5.220767 2300.061       110.6155 2100.000       178.5154 2424.750       140.9322 206.0596 8.871464 221.9723 6.493402 -15.91270      10.99396 
1 1 1 9   15 18 o 95.50127 4.021788 447.9908       37.51123 400.8000       57.91381 482.0969       49.23451 90.02877 6.618210 98.97115 5.099430 -8.942383      8.354932 
1 1 1 9   15 19 o 295.2435 8.254383 4304.503       238.3114 4529.000       345.6054 4101.000       329.0500 301.4914 11.73355 286.8665 11.74343 14.62491       16.60073 
1 1 1 9   15 20 f 134.9122 4.909495 894.7239       64.72462 896.4000       88.53704 892.8000       94.85844 134.7792 6.732449 134.4221 7.236070 0.3570709      9.883652 
1 1 1 9   15 21 o 190.2279 4.764964 1777.695       88.65395 1769.000       149.9784 1782.365       109.9120 189.0879 8.122182 190.2863 5.908240 -1.198410      10.04376 
1 1 1 9   15 22 o 92.56117 3.802424 420.9015       34.37716 443.2000       56.75232 407.9776       43.20570 94.70244 6.155680 91.01532 4.867465 3.687119       7.847586 
1 1 1 9   15 23 o 106.7205 4.800218 560.5917       50.01519 0.000000       0.000000 560.5917       50.01519 ?        ?        106.7205 4.800218 ?              ?        
1 1 1 9   15 24 o 151.7222 4.190110 1130.964       62.16771 1239.000       108.1752 1077.687       75.96546 158.2750 6.999788 147.9385 5.254349 10.33646       8.752441 
1 1 1 9   15 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   15 26 o 213.6623 5.171076 2247.542       108.1472 2407.000       190.2411 2171.407       131.4538 219.6871 8.865159 209.5833 6.415371 10.10385       10.94294 
1 1 1 9   15 27 o 94.88500 4.433850 443.7937       41.06598 492.1000       54.32784 379.4000       62.72521 99.72377 5.588022 87.13160 7.425300 12.59217       9.293066 
1 1 1 9   15 28 f 241.9177 5.699391 2891.401       134.9592 2747.000       221.6512 2976.476       170.1319 233.5332 9.717738 244.7144 7.110184 -11.18120      12.04114 
1 1 1 9   15 29 o 107.9678 3.696676 573.7963       39.00955 583.7000       60.92578 566.9153       50.78432 108.4574 5.759645 107.0953 4.857188 1.362053       7.534307 
1 1 1 9   15 30 o 84.13088 3.141185 348.2101       25.82212 324.1543       33.16034 385.2689       41.15798 81.00144 4.196657 88.20793 4.784859 -7.206490      6.364496 
1 1 1 9   15 31 o 48.14743 3.970783 115.0028       18.54732 104.0800       23.22226 134.2452       30.82246 45.53653 5.309510 51.57873 6.231211 -6.042198      8.186506 
1 1 1 9   15 32 o 25.16386 6.553942 32.80933       16.30066 47.63671       20.56669 7.759254       26.73231 30.24143 7.074492 20.32799 8.358965 9.913445       10.95083 
1 1 1 9   15 33 o 35.53436 8.059318 66.44645       27.38487 77.26000       41.01744 57.75000       36.78368 37.94046 10.62489 33.24342 10.27077 4.697044       14.77758 
1 1 1 9   15 34 o 56.00296 5.596736 157.9305       30.26926 153.1000       44.76355 162.0000       41.08679 54.07033 8.757094 56.05307 7.691111 -1.982742      11.65504 
1 1 1 9   15 35 o 127.5732 4.062085 806.1987       50.65948 881.5000       88.71626 769.7649       61.70984 131.9385 6.893416 124.2312 5.085534 7.707268       8.566319 
1 1 1 9   15 36 o 87.54715 5.209458 383.8470       44.43984 408.7000       59.98009 353.6000       66.16965 89.59682 6.892178 82.58670 8.297773 7.010117       10.78681 
1 1 1 9   15 37 o 50.99532 4.066219 129.7064       20.12880 135.8384       25.96710 120.4745       31.86154 51.89864 5.180807 48.27634 6.941939 3.622299       8.662060 
1 1 1 9   15 38 o 20.15738 6.998063 18.99200       16.87298 11.87774       20.83580 32.54599       28.75933 19.18902 7.554998 25.99003 9.128621 -6.801010      11.84946 
1 1 1 9   15 39 f 17.83957 6.857296 11.50832       16.84496 -6.034746      20.97236 43.40007       28.27703 15.51573 6.894346 28.67730 9.027741 -13.16156      11.35923 
1 1 1 9   15 40 o 102.4304 3.371243 520.1268       33.75461 551.5292       45.93525 483.2668       49.76713 104.9719 4.480920 97.86333 5.214190 7.108543       6.875059 
1 1 1 9   15 41 o 64.90127 3.764735 210.2532       23.81363 247.9987       31.97097 163.2146       35.69027 70.14089 4.683537 55.98486 6.642163 14.15603       8.127352 
1 1 1 9   15 42 o 31.18943 6.809228 52.25107       20.20353 47.80641       25.22167 60.21000       33.75060 29.44548 8.361575 32.61067 9.791513 -3.165188      12.87593 
1 1 1 9   15 43 o 71.44707 4.310366 257.2572       30.00408 265.1553       33.45607 224.8000       67.82189 72.31631 4.752766 61.53457 11.68741 10.78174       12.61683 
1 1 1 9   15 44 o 66.96051 3.699564 224.6146       24.15374 214.7312       32.31735 237.1220       36.35515 64.77882 5.138867 67.86732 5.520297 -3.088501      7.541991 
1 1 1 9   15 45 o 41.99674 4.904753 90.64527       19.78305 75.51780       25.86110 111.9857       30.71607 37.20505 7.362068 45.64338 7.106384 -8.438332      10.23234 
1 1 1 9   15 46 o 36.32962 5.951384 69.82768       20.43125 51.72566       24.94737 106.7000       35.60503 30.31058 8.208141 43.50898 8.664965 -13.19840      11.93546 
1 1 1 9   15 47 f 26.65704 7.061067 39.16460       18.71459 27.77838       25.03845 53.57745       28.17036 23.46035 8.487117 30.52681 8.889755 -7.066460      12.29060 
1 1 1 9   15 48 o 27.78920 8.089622 43.60961       23.33130 50.19126       25.83623 14.52000       54.31635 29.61830 8.479964 25.81430 11.29672 3.803995       14.12536 
1 1 1 9   15 49 o 42.24245 4.985800 92.74750       20.21858 77.89013       27.13070 111.3050       30.32140 37.22123 7.700851 45.07366 7.107822 -7.852425      10.47971 
1 1 1 9   15 50 o 42.02373 4.904319 91.79115       19.79462 96.71469       26.55741 85.63687       29.69173 42.17514 6.653453 38.74240 8.091129 3.432735       10.47544 
1 1 1 9   15 51 o 20.70981 7.391541 21.61711       18.91894 10.29872       25.71891 34.96361       27.92828 19.45303 8.116663 25.25270 8.984129 -5.799675      12.10763 
1 1 1 9   15 52 o 53.38790 4.338552 145.9917       22.47697 154.2208       30.88424 136.7246       32.77436 53.85720 5.958015 50.04432 6.872003 3.812885       9.095183 
1 1 1 9   15 53 o 18.89042 7.321599 15.04786       19.31889 10.12881       27.21748 20.04250       27.42578 19.71339 8.295672 21.69115 8.627249 -1.977766      11.96861 
1 1 1 9   15 54 o 52.40382 4.543770 141.5005       23.07685 119.7902       31.91363 165.2928       33.40889 46.45285 7.255859 55.47425 6.261998 -9.021393      9.584368 
1 1 1 9   15 55 o 33.92245 6.563756 63.45870       21.00643 70.28663       30.19702 57.05619       29.24118 34.24439 8.921040 30.76288 9.084275 3.481504       12.73220 
1 1 1 9   15 56 o 26.46897 8.140339 40.86825       23.13835 1.979154       30.58902 92.88000       35.37548 19.04627 8.401226 38.96508 9.387042 -19.91881      12.59751 
1 1 1 9   15 57 o 37.94289 7.772265 83.41867       27.89417 96.09865       32.78583 50.18000       53.08217 40.11037 8.608346 28.75893 11.79730 11.35143       14.60411 
1 1 1 9   15 58 o 31.53807 7.676453 58.42557       23.47073 42.84396       32.75918 74.86000       33.64375 26.54808 9.692605 34.22782 9.635952 -7.679733      13.66741 
1 1 1 9   16 0  o 189.6695 4.077731 1762.798       75.70460 1727.391       107.6814 1797.403       106.4541 187.5406 5.873201 191.3273 5.690655 -3.786713      8.177900 
1 1 1 9   16 1  o 141.4824 4.881305 982.5594       67.49840 1030.000       101.7693 945.3000       90.19041 144.6155 7.212212 138.5919 6.667953 6.023621       9.822301 
1 1 1 9   16 2  o 137.6128 3.994233 928.6978       53.74508 955.5034       68.69569 886.4000       86.29302 139.5038 5.039082 134.2016 6.589333 5.302109       8.295280 
1 1 1 9   16 3  o 309.9515 8.519141 4731.077       258.2163 0.000000       0.000000 4731.077       258.2163 ?        ?        309.9515 8.519141 ?              ?        
1 1 1 9   16 4  o 302.6009 6.817172 4497.422       201.9206 4331.000       341.8827 4586.572       250.2255 295.6632 11.83729 305.1942 8.384183 -9.531006      14.50572 
1 1 1 9   16 5  o 253.7257 5.086946 3157.044       126.3362 2915.000       242.9788 3246.724       147.9003 242.8488 10.24479 257.2178 5.874377 -14.36900      11.80949 
1 1 1 9   16 6  o 118.9167 4.376134 694.0782       50.85088 0.000000       0.000000 694.0782       50.85088 ?        ?        118.9167 4.376134 ?              ?        
1 1 1 9   16 7  o 197.2787 4.803059 1908.333       92.74795 0.000000       0.000000 1908.333       92.74795 ?        ?        197.2787 4.803059 ?              ?        
1 1 1 9   16 8  o 374.8694 10.20980 6942.706       374.2821 0.000000       0.000000 6942.706       374.2821 ?        ?        374.8694 10.20980 ?              ?        
1 1 1 9   16 9  o 156.4371 3.602243 1199.074       55.15933 1190.000       112.2604 1201.962       63.33155 155.3884 7.402058 156.5429 4.136770 -1.154480      8.479583 
1 1 1 9   16 10 o 117.8134 3.750733 680.8622       43.19798 573.7000       73.91685 736.4465       53.23512 107.7993 7.043796 122.4778 4.447914 -14.67857      8.330606 
1 1 1 9   16 11 o 164.0250 3.712105 1318.450       59.59866 1169.000       114.3644 1374.169       69.83037 153.9422 7.613360 167.3659 4.266043 -13.42371      8.727106 
1 1 1 9   16 12 o 80.67646 4.036765 319.8480       31.77639 214.3000       53.16565 378.5079       39.63479 65.40294 8.506099 87.72888 4.632009 -22.32594      9.685516 
1 1 1 9   16 13 o 138.1392 5.066647 937.6299       68.39232 891.1000       92.85729 992.8000       101.1118 134.4059 7.083165 141.8540 7.306673 -7.448151      10.17638 
1 1 1 9   16 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   16 15 o 150.9598 5.098934 1119.768       75.23555 1034.000       102.2549 1221.000       111.0919 144.7584 7.239603 157.3352 7.232918 -12.57681      10.23362 
1 1 1 9   16 16 o 32.49466 7.721637 54.10830       24.19549 -6.054000      40.19359 88.29938       30.30058 22.58065 9.801929 41.68384 7.710299 -19.10319      12.47103 
1 1 1 9   16 17 o 276.6055 6.365119 3762.486       172.3351 3776.000       295.9965 3755.556       211.9661 275.5915 10.99479 275.8971 7.856977 -0.3056030     13.51361 
1 1 1 9   16 18 o 210.0828 6.325608 2172.717       129.9284 2042.000       174.1080 2337.000       195.1860 203.1064 8.778408 217.1888 9.202171 -14.08246      12.71772 
1 1 1 9   16 19 o 153.1668 4.224239 1151.746       63.27095 1151.000       108.1862 1152.135       78.00124 152.6551 7.261075 153.0683 5.213679 -0.4131927     8.938996 
1 1 1 9   16 20 o 183.6205 4.610879 1656.166       82.80708 1800.000       149.6090 1592.641       99.42545 190.7383 8.031312 179.8965 5.653379 10.84184       9.821541 
1 1 1 9   16 21 o 87.02891 3.734068 372.1342       31.73514 0.000000       0.000000 372.1342       31.73514 ?        ?        87.02891 3.734068 ?              ?        
1 1 1 9   16 22 o 174.2199 3.884445 1489.187       66.24192 1357.000       124.1649 1541.779       78.31861 165.5388 7.683860 177.1348 4.520745 -11.59596      8.915092 
1 1 1 9   16 23 o 120.0330 3.824731 707.7104       44.88002 663.6000       72.86996 734.6682       56.96659 115.8350 6.452415 122.1780 4.772621 -6.343086      8.025681 
1 1 1 9   16 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   16 25 f 171.7916 4.501343 1451.925       75.62685 1748.000       140.2699 1330.589       89.79588 187.6078 7.654563 164.2170 5.594570 23.39081       9.481115 
1 1 1 9   16 26 o 267.8394 6.201021 3545.646       162.5713 3382.000       269.0892 3639.712       204.0130 258.9360 10.63956 270.5421 7.711876 -11.60614      13.14052 
1 1 1 9   16 27 o 112.0250 4.665239 619.1352       51.04388 675.7000       68.28487 547.5000       76.84482 116.7419 5.995823 104.6440 7.553119 12.09794       9.643625 
1 1 1 9   16 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   16 29 o 66.73301 3.915163 219.9739       25.46154 189.5000       36.01278 250.4318       36.00334 61.50776 6.060283 70.97688 5.218754 -9.469128      7.997651 
1 1 1 9   16 30 o 79.39668 3.777897 311.1263       29.27595 308.7000       43.09140 313.2062       39.89768 78.68479 5.632166 79.37567 5.163179 -0.6908798     7.640662 
1 1 1 9   16 31 f 141.5954 4.066677 989.9234       56.30474 957.2000       89.57561 1011.297       72.39428 138.2271 6.639910 142.7252 5.190644 -4.498077      8.428000 
1 1 1 9   16 32 o 64.97849 4.535329 209.9745       28.66485 208.3000       36.42130 212.7000       46.46537 64.38326 5.842875 64.53613 7.494874 -0.1528702     9.503281 
1 1 1 9   16 33 o 25.52345 7.664188 33.47680       20.67762 32.05000       25.22410 36.40000       36.10472 25.59678 8.562855 28.25349 10.19549 -2.656717      13.31430 
1 1 1 9   16 34 o 81.65195 3.290820 329.1704       26.24740 323.9996       34.23484 336.5444       40.88243 80.74464 4.347634 82.06101 5.115153 -1.316368      6.713174 
1 1 1 9   16 35 o 175.0051 4.586868 1522.868       78.50524 1561.729       95.14870 1440.000       138.9432 176.6122 5.510710 166.9827 8.529050 9.629501       10.15444 
1 1 1 9   16 36 f 46.50583 6.048323 110.5122       26.88105 192.5000       46.50509 69.37460       32.94165 60.77322 8.012785 35.80060 9.313272 24.97263       12.28584 
1 1 1 9   16 37 o 142.7398 4.314594 1013.565       60.21328 1095.000       104.5938 973.1983       73.64007 146.1673 7.333972 139.2201 5.414204 6.947128       9.115961 
1 1 1 9   16 38 o 17.04061 7.442881 -2.782877      23.47897 -19.70000      41.61558 5.116335       28.43705 20.52982 9.361322 20.05922 8.462461 0.4706020      12.61933 
1 1 1 9   16 39 o 68.76017 4.604466 237.3262       30.81145 267.6000       53.15465 222.0068       37.81191 71.48766 7.718559 65.95821 5.919598 5.529442       9.727168 
1 1 1 9   16 40 o 45.12353 6.257039 105.7482       26.89349 89.80000       46.11802 113.9661       33.10505 39.37627 11.34714 46.29275 7.567111 -6.916485      13.63887 
1 1 1 9   16 41 o 69.32735 4.166893 241.2448       28.14583 252.0000       41.58313 232.1516       38.23566 69.86230 6.143408 67.18673 5.873036 2.675568       8.499060 
1 1 1 9   16 42 o 11.46606 5.457069 -19.89053      16.80019 -13.78759      21.78438 -28.84747      26.39097 14.46977 6.662820 14.43221 6.860445 0.3755474E-01  9.563414 
1 1 1 9   16 43 o 31.12052 6.925719 52.48141       20.55340 47.85725       25.63180 60.81000       34.39920 29.30166 8.464146 32.51864 9.911195 -3.216986      13.03355 
1 1 1 9   16 44 o 35.41011 6.949637 67.81833       23.22723 68.60531       25.19824 63.37000       59.90812 35.35991 7.512385 33.41946 12.90925 1.940441       14.93602 
1 1 1 9   16 45 f 15.84091 6.737513 2.568263       18.27283 23.13517       22.78278 -34.52000      30.59429 22.02655 8.076485 15.24585 7.285889 6.780695       10.87721 
1 1 1 9   16 46 o 53.23322 4.159484 143.6359       21.50151 146.5452       27.93435 139.4064       33.68102 53.13391 5.448143 50.94060 6.934730 2.193310       8.818886 
1 1 1 9   16 47 o 15.29919 6.894727 -7.162890      21.78538 2.140822       24.03399 -50.02000      51.58331 17.62694 7.615659 19.55474 9.375957 -1.927805      12.07919 
1 1 1 9   16 48 o 42.08675 5.022338 92.00655       20.28204 83.79058       27.04286 102.5697       30.66334 38.90283 7.371501 43.01636 7.558175 -4.113529      10.55770 
1 1 1 9   16 49 o 38.80030 5.331967 79.13689       19.71522 73.57566       26.46585 86.07060       29.55176 36.10046 7.723271 38.93003 8.022138 -2.829567      11.13569 
1 1 1 9   16 50 o 33.11929 6.176616 59.44529       19.28701 57.40241       26.17920 61.87036       28.52320 31.41742 8.364935 32.40392 8.777422 -0.9864979     12.12499 
1 1 1 9   16 51 o 18.32088 7.147819 13.56277       18.50774 10.01588       25.99874 17.20688       26.35263 19.41539 8.135058 20.91892 8.410446 -1.503523      11.70106 
1 1 1 9   16 52 o 38.58676 5.549475 79.05212       20.35815 107.0679       28.69043 50.64099       28.89218 44.17295 6.857791 29.17358 9.117068 14.99937       11.40834 
1 1 1 9   16 53 o 41.43772 5.289183 90.41335       20.96476 114.7236       29.50768 65.63290       29.79165 45.77820 6.790763 33.13727 8.968092 12.64093       11.24905 
1 1 1 9   16 54 o 22.99178 7.564715 29.24970       19.70725 65.43686       27.78810 -7.368620      27.95315 33.28337 8.500428 17.09051 7.745532 16.19286       11.50002 
1 1 1 9   16 55 o 23.83641 7.974156 31.81532       21.87498 18.08881       28.97444 50.01000       33.35856 21.45472 8.748438 28.70005 9.845244 -7.245331      13.17057 
1 1 1 9   16 56 o 24.85013 8.704001 35.39276       26.13406 29.53888       30.15446 53.06000       52.38582 23.78079 9.165947 29.30905 11.83182 -5.528252      14.96685 
1 1 1 9   16 57 o 21.65426 7.684632 25.50775       20.42170 26.64425       30.31429 24.56342       27.63287 23.00656 9.095803 22.24327 8.717599 0.7632904      12.59882 
1 1 1 9   17 0  o 141.7455 4.100896 985.5047       56.83784 945.0359       69.82204 1065.000       97.85954 138.7121 5.151423 147.0776 6.816053 -8.365540      8.543754 
1 1 1 9   17 1  o 308.4307 6.962264 4674.448       210.1911 4428.179       248.7083 5290.000       393.2045 299.7882 8.484116 326.4981 12.32571 -26.70996      14.96340 
1 1 1 9   17 2  o 320.3253 8.790196 5057.833       275.3502 0.000000       0.000000 5057.833       275.3502 ?        ?        320.3253 8.790196 ?              ?        
1 1 1 9   17 3  o 302.0151 5.885318 4477.093       173.9822 4773.000       365.0295 4390.112       197.9079 310.1787 12.04581 298.9278 6.763799 11.25089       13.81487 
1 1 1 9   17 4  o 260.6473 5.189311 3332.557       132.3943 3242.000       262.0587 3363.592       153.4121 255.9731 10.48136 261.7589 5.987588 -5.785858      12.07105 
1 1 1 9   17 5  o 163.9750 4.345421 1319.008       69.68395 1192.000       118.2948 1386.500       86.23379 155.4599 7.798841 168.0320 5.249434 -12.57202      9.400983 
1 1 1 9   17 6  o 258.2016 5.158636 3270.586       130.3767 3071.000       252.6731 3343.006       152.2034 249.0888 10.38610 260.9411 5.959032 -11.85234      11.97419 
1 1 1 9   17 7  o 389.0555 10.57604 7489.716       402.3814 0.000000       0.000000 7489.716       402.3814 ?        ?        389.0555 10.57604 ?              ?        
1 1 1 9   17 8  o 210.4989 5.055849 2173.852       104.1718 0.000000       0.000000 2173.852       104.1718 ?        ?        210.4989 5.055849 ?              ?        
1 1 1 9   17 9  o 117.2710 3.692864 674.6279       42.33685 0.000000       0.000000 674.6279       42.33685 ?        ?        117.2710 3.692864 ?              ?        
1 1 1 9   17 10 o 229.3316 4.684129 2579.656       105.1475 2578.000       211.5306 2580.199       121.1789 228.2880 9.487055 229.2728 5.399683 -0.9847565     10.91608 
1 1 1 9   17 11 o 198.4187 4.206290 1930.373       81.69360 1901.000       163.6272 1940.126       94.28560 196.1587 8.542482 198.8596 4.843870 -2.700928      9.820239 
1 1 1 9   17 12 o 177.5054 3.929553 1544.608       68.27486 1349.000       128.9983 1620.725       80.46974 165.2672 7.998019 181.7776 4.522576 -16.51044      9.188146 
1 1 1 9   17 13 o 304.4330 8.489499 4575.427       252.7294 4096.000       330.7595 5248.000       391.7605 286.8646 11.80478 324.5122 12.35599 -37.64767      17.08869 
1 1 1 9   17 14 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   17 15 o 163.7006 5.495360 1317.666       87.92989 0.000000       0.000000 1317.666       87.92989 ?        ?        163.7006 5.495360 ?              ?        
1 1 1 9   17 16 o 37.16816 9.525684 70.95184       34.81164 64.31000       44.93676 80.92000       55.05100 36.15967 11.38018 40.36849 12.58015 -4.208817      16.96374 
1 1 1 9   17 17 o 128.2601 5.067119 809.0325       63.48970 735.0000       83.39486 911.1000       97.92004 121.9632 7.015204 135.7653 7.396392 -13.80210      10.19410 
1 1 1 9   17 18 o 61.60412 3.503591 186.6471       21.03949 102.1000       47.83611 206.9250       23.42709 44.44189 11.04479 64.85692 3.705673 -20.41503      11.64987 
1 1 1 9   17 19 o 166.7150 3.786283 1363.123       61.78655 1274.000       119.8921 1395.353       72.09808 160.4779 7.654610 168.5593 4.373528 -8.081375      8.815940 
1 1 1 9   17 20 o 102.8897 3.219249 519.4412       32.38158 515.8000       66.21535 520.5856       37.12357 102.0987 6.662092 102.9617 3.689524 -0.8629837     7.615514 
1 1 1 9   17 21 o 41.98823 4.462963 87.54294       18.06177 103.5000       42.36507 83.99825       19.96736 44.76062 9.929457 41.02959 5.080279 3.731026       11.15362 
1 1 1 9   17 22 o 326.0916 6.357426 5243.140       202.9211 5217.000       401.1286 5252.130       235.2418 321.4438 12.77433 325.9539 7.373133 -4.510071      14.74946 
1 1 1 9   17 23 o 32.40525 5.751291 53.25975       17.57450 50.13000       37.12320 54.16379       19.95193 32.07412 10.37129 32.56466 6.487340 -0.4905357     12.23312 
1 1 1 9   17 24 o 120.1577 3.296780 708.9034       38.73799 840.7000       80.66660 669.3989       44.16366 130.3123 6.343204 116.6866 3.872038 13.62571       7.431616 
1 1 1 9   17 25 o 86.00871 3.814000 364.1249       32.02933 0.000000       0.000000 364.1249       32.02933 ?        ?        86.00871 3.814000 ?              ?        
1 1 1 9   17 26 o 77.54482 4.118045 296.5866       31.14513 0.000000       0.000000 296.5866       31.14513 ?        ?        77.54482 4.118045 ?              ?        
1 1 1 9   17 27 f 119.7533 4.967359 708.8917       58.09988 0.000000       0.000000 708.8917       58.09988 ?        ?        119.7533 4.967359 ?              ?        
1 1 1 9   17 28 o 79.01027 3.313931 307.3491       25.57219 326.6242       33.84170 281.6945       39.04236 81.29848 4.267633 75.27225 5.333554 6.026237       6.830776 
1 1 1 9   17 29 o 118.0826 3.293754 686.1644       38.03284 705.5181       51.64313 663.2274       56.22115 119.4769 4.423570 115.6848 4.976618 3.792130       6.658431 
1 1 1 9   17 30 o 54.45597 3.776029 146.8212       20.00271 136.2148       25.24859 164.6984       32.77943 52.21088 5.001573 57.23321 5.937389 -5.022331      7.763268 
1 1 1 9   17 31 o 89.81194 3.553980 398.1178       31.18149 404.4281       37.15949 383.1000       57.32555 90.36908 4.212504 87.13982 6.774042 3.229263       7.977019 
1 1 1 9   17 32 o 42.50796 5.470293 91.44404       22.23373 107.2000       31.99495 76.72984       30.91912 45.50638 7.439790 38.06501 8.512177 7.441376       11.30520 
1 1 1 9   17 33 o 36.46016 6.149251 68.37304       21.16568 69.51000       29.67263 67.19530       30.19992 36.14383 8.526160 35.48951 8.749874 0.6543121      12.21703 
1 1 1 9   17 34 o 43.99854 6.410419 99.38914       26.79671 78.04000       30.92633 163.7000       53.67601 38.26881 8.479383 55.02819 10.34492 -16.75938      13.37600 
1 1 1 9   17 35 f 95.89080 3.869749 455.9704       36.24707 392.1000       52.50882 514.1111       50.09829 88.03538 6.131858 101.3669 5.065223 -13.33154      7.953374 
1 1 1 9   17 36 o 76.34859 4.048666 289.9074       30.14837 282.2000       44.08366 296.6795       41.32261 74.57923 6.091868 76.71102 5.540640 -2.131790      8.234655 
1 1 1 9   17 37 o 100.2559 3.903054 499.3467       38.22878 482.6000       58.54869 511.7923       50.47306 97.48149 6.167670 100.9609 5.124158 -3.479439      8.018551 
1 1 1 9   17 38 f 62.37866 4.417373 194.9792       26.79711 190.7000       38.99271 198.8090       36.88847 60.80207 6.660649 62.33562 6.124717 -1.533554      9.048557 
1 1 1 9   17 39 o 36.98533 6.496084 71.81689       22.65963 70.85000       32.61694 72.71888       31.50319 35.73920 9.252194 36.31646 8.926511 -0.5772591     12.85635 
1 1 1 9   17 40 o 21.36140 8.809547 11.68282       29.80608 0.000000       0.000000 11.68282       29.80608 ?        ?        21.36140 8.809547 ?              ?        
1 1 1 9   17 41 f 45.28515 5.834469 106.5268       25.26176 45.51000       38.48351 152.7265       33.48650 29.30134 10.53210 54.01293 6.461898 -24.71159      12.35643 
1 1 1 9   17 42 o 18.70005 7.586367 10.14449       21.65712 14.22000       34.70452 7.545079       27.71616 22.74183 9.453848 19.88944 8.370631 2.852388       12.62706 
1 1 1 9   17 43 o 37.58502 6.559897 75.42307       23.25592 88.86000       36.37886 66.13691       30.24248 39.24826 9.559387 34.08381 8.951548 5.164459       13.09626 
1 1 1 9   17 44 o 63.77863 4.889595 207.8205       30.29212 226.7000       43.16502 189.5000       42.52129 65.35329 6.849373 59.25378 7.499031 6.099510       10.15625 
1 1 1 9   17 45 o 22.01402 8.844683 18.04954       29.12288 35.77000       33.64184 -34.94000      58.17512 26.35527 9.787535 22.14415 10.42370 4.211123       14.29858 
1 1 1 9   17 46 o 19.84294 7.727144 15.92056       21.59700 15.69090       23.63939 17.08000       53.11486 20.25749 8.024852 25.98582 11.27404 -5.728327      13.83843 
1 1 1 9   17 47 o 63.25196 3.818518 201.8910       23.53140 200.0009       31.28456 204.3538       35.70958 62.17402 5.187853 62.35082 5.922095 -0.1768074     7.873057 
1 1 1 9   17 48 o 23.73668 7.317418 31.13593       18.68313 23.21974       25.21222 40.77742       27.82436 22.13491 8.418536 26.75583 8.993909 -4.620922      12.31918 
1 1 1 9   17 49 o 20.70954 7.332364 21.84983       18.58307 35.09280       25.35139 6.470615       27.31971 25.09177 8.583431 19.13828 8.191847 5.953487       11.86514 
1 1 1 9   17 50 o 68.56628 3.683880 237.3306       24.63343 225.9060       33.18947 251.3431       36.75689 65.91679 5.185697 69.32954 5.460491 -3.412758      7.530499 
1 1 1 9   17 51 o 54.84716 4.144828 153.5275       22.08720 165.8596       30.16712 139.2784       32.42723 56.12342 5.564598 50.60020 6.712563 5.523220       8.719131 
1 1 1 9   17 52 o 47.44453 4.613094 116.3061       21.15306 86.39912       28.44736 153.2932       31.63594 39.02847 7.720077 53.49120 6.154168 -14.46273      9.872861 
1 1 1 9   17 53 o 40.27839 5.338487 85.68320       20.52955 86.29581       28.40630 85.01337       29.70347 38.96405 7.721107 38.35916 8.161968 0.6048889      11.23536 
1 1 1 9   17 54 o 33.53918 7.053153 63.16280       22.41932 51.12991       29.51690 79.57000       34.46695 29.11554 9.231018 35.92304 9.613276 -6.807505      13.32767 
1 1 1 9   17 55 o 40.24994 8.062222 93.98103       30.65516 93.98103       30.65516 0.000000       0.000000 40.24994 8.062222 ?        ?        ?              ?        
1 1 1 9   17 56 o 13.98144 6.355131 -7.070353      18.98819 34.45937       28.71308 -39.34871      25.31372 24.64330 9.061739 12.68791 6.196380 11.95539       10.97772 
1 1 1 9   17 57 o 34.19466 6.991323 66.58260       22.61002 49.92485       30.21183 87.79000       34.08887 28.25959 9.369183 37.43613 9.335173 -9.176544      13.22600 
1 1 1 9   18 0  o 72.62030 6.737854 261.4000       47.34832 0.000000       0.000000 261.4000       47.34832 ?        ?        72.62030 6.737854 ?              ?        
1 1 1 9   18 1  o 341.8464 6.587448 5742.653       220.4218 5919.000       451.5844 5687.498       252.5503 344.6052 13.41347 339.9741 7.589198 4.631073       15.41159 
1 1 1 9   18 2  o 244.4623 4.933512 2931.590       118.0523 3004.000       242.1483 2909.013       135.2087 246.3674 10.06252 243.4286 5.674491 2.938858       11.55224 
1 1 1 9   18 3  o 250.2240 7.143813 3081.782       174.7916 3049.000       248.2719 3114.000       246.1272 248.1476 10.24345 250.8386 10.04473 -2.690964      14.34659 
1 1 1 9   18 4  o 99.31699 3.798749 484.1317       36.86116 625.7000       75.23888 439.4202       42.28331 112.6066 6.858622 94.54826 4.582520 18.05834       8.248648 
1 1 1 9   18 5  o 147.2049 3.536096 1061.831       50.95098 952.7000       101.7173 1098.385       58.86879 138.9368 7.507369 149.6364 4.022869 -10.69963      8.517280 
1 1 1 9   18 6  o 90.84134 4.666298 405.8107       41.35276 0.000000       0.000000 405.8107       41.35276 ?        ?        90.84134 4.666298 ?              ?        
1 1 1 9   18 7  f 182.5486 4.006327 1633.609       71.58651 1500.000       139.5995 1681.278       83.38474 174.2780 8.206472 185.1443 4.601188 -10.86632      9.408354 
1 1 1 9   18 8  o 175.0357 4.477493 1503.574       76.64980 0.000000       0.000000 1503.574       76.64980 ?        ?        175.0357 4.477493 ?              ?        
1 1 1 9   18 9  o 70.37807 3.712414 243.4405       25.48363 0.000000       0.000000 243.4405       25.48363 ?        ?        70.37807 3.712414 ?              ?        
1 1 1 9   18 10 o 91.44730 3.580595 410.4798       31.98837 0.000000       0.000000 410.4798       31.98837 ?        ?        91.44730 3.580595 ?              ?        
1 1 1 9   18 11 o 126.2236 3.780069 781.7067       46.65058 727.8000       84.76536 805.1283       55.87335 121.3875 7.165963 128.0398 4.464971 -6.652267      8.443162 
1 1 1 9   18 12 o 109.5912 4.443100 590.1016       47.56271 504.0000       72.26661 655.9000       63.17423 100.8991 7.367978 115.4212 5.608545 -14.52213      9.259745 
1 1 1 9   18 13 o 155.0788 3.665016 1178.897       55.63325 1036.000       107.5166 1231.145       65.01334 144.7978 7.612649 158.3834 4.197296 -13.58562      8.693085 
1 1 1 9   18 14 o 106.3765 5.053308 556.8003       52.46675 0.000000       0.000000 556.8003       52.46675 ?        ?        106.3765 5.053308 ?              ?        
1 1 1 9   18 15 o 40.97240 9.261682 86.31371       36.26799 71.42000       47.46932 107.2000       56.21370 37.86254 11.66232 45.59162 12.31053 -7.729084      16.95756 
1 1 1 9   18 16 f 150.2084 5.383541 1110.004       79.02520 1059.000       106.3069 1173.000       118.1452 146.3631 7.444791 153.9717 7.865208 -7.608612      10.82989 
1 1 1 9   18 17 o 198.8744 4.945001 1942.548       96.26122 1758.000       157.4174 2052.775       121.6584 188.3401 8.561321 204.1624 6.094617 -15.82230      10.50907 
1 1 1 9   18 18 o 65.21902 3.427263 209.1139       21.80223 153.0000       51.56260 221.3304       24.05873 54.68207 10.00195 67.07999 3.678229 -12.39791      10.65685 
1 1 1 9   18 19 o 165.9365 5.460648 1355.596       88.57281 1363.000       124.4700 1348.000       126.0671 165.9118 7.685329 164.9581 7.830026 0.9536896      10.97149 
1 1 1 9   18 20 o 186.7839 5.862539 1719.519       107.0516 0.000000       0.000000 1719.519       107.0516 ?        ?        186.7839 5.862539 ?              ?        
1 1 1 9   18 21 o 79.48797 3.246994 310.3696       25.21007 297.0000       52.81873 314.3139       28.68876 77.21687 7.066525 79.95117 3.675736 -2.734299      7.965351 
1 1 1 9   18 22 o 116.1021 3.280842 661.7512       37.24741 856.3000       82.43417 611.8418       41.75266 131.5454 6.421546 111.5712 3.828865 19.97424       7.476394 
1 1 1 9   18 23 o 111.0228 3.240099 605.2795       35.17318 693.8000       73.52120 579.0061       40.05431 118.3241 6.371442 108.5186 3.776603 9.805527       7.406619 
1 1 1 9   18 24 o 168.8064 3.837193 1400.140       63.40283 1531.000       130.0604 1359.348       72.61557 175.3553 7.595410 166.1533 4.468986 9.201950       8.812610 
1 1 1 9   18 25 o 79.92710 3.373818 314.2861       26.33565 334.2000       50.28978 306.7614       30.91343 81.90563 6.321663 78.87672 4.017211 3.028915       7.490088 
1 1 1 9   18 26 o 162.0216 4.379335 1294.167       69.38870 1461.000       123.6834 1217.540       83.82272 171.0188 7.406145 156.8282 5.468856 14.19054       9.206485 
1 1 1 9   18 27 o 87.50729 3.913861 377.7575       33.43917 352.2000       52.15618 395.5953       43.57304 83.92975 6.396873 89.33292 5.003096 -5.403175      8.121019 
1 1 1 9   18 28 o 83.75871 3.289299 345.5089       26.91500 381.7994       36.20059 300.6514       40.24731 87.88110 4.220709 77.71925 5.322697 10.16185       6.793047 
1 1 1 9   18 29 o 40.67180 4.917197 83.05769       19.17877 63.94952       24.35358 114.2577       31.11935 35.07364 7.330223 47.30440 6.925991 -12.23077      10.08472 
1 1 1 9   18 30 o 104.8789 3.683213 543.0113       37.75257 556.6772       45.56787 513.1000       67.41499 105.9979 4.401506 100.8730 6.868690 5.124893       8.157950 
1 1 1 9   18 31 o 84.13518 3.279667 349.2524       26.95758 370.3422       35.88342 321.9285       40.84403 86.40766 4.255725 80.27094 5.226756 6.136719       6.740191 
1 1 1 9   18 32 o 77.86016 3.852221 300.3239       29.26727 298.9157       33.46870 304.9000       60.33423 77.52673 4.428859 76.88559 8.140522 0.6411362      9.267303 
1 1 1 9   18 33 o 74.23376 3.939540 273.4552       28.52301 260.8550       32.19751 319.4000       61.48241 72.32583 4.571412 78.58701 8.109013 -6.261185      9.308807 
1 1 1 9   18 34 o 21.58674 7.334855 22.34207       18.50723 35.39677       23.61522 1.560169       29.79554 26.22964 8.249105 19.96017 8.549563 6.269472       11.88035 
1 1 1 9   18 35 o 101.0924 3.881409 507.0308       38.33597 438.7000       57.07287 563.2057       51.74793 92.98625 6.307876 106.0877 4.997398 -13.10149      8.047565 
1 1 1 9   18 36 o 25.46703 7.228893 34.14393       18.85513 49.58002       24.34203 10.99057       29.81228 30.41419 8.051496 21.52335 8.836444 8.890846       11.95447 
1 1 1 9   18 37 o 53.36461 4.303938 142.7112       22.29096 118.6004       28.58204 180.1441       35.61357 47.98870 6.231865 59.28963 6.229586 -11.30093      8.811577 
1 1 1 9   18 38 o 33.04532 7.163467 58.31869       22.50116 57.52000       33.91402 58.94674       30.07385 32.30401 9.840109 32.72642 9.073056 -0.4224129     13.38462 
1 1 1 9   18 39 o 19.51936 8.469732 0.4567658      29.98621 0.000000       0.000000 0.4567658      29.98621 ?        ?        19.51936 8.469732 ?              ?        
1 1 1 9   18 40 o 49.52087 5.042634 125.3212       24.10222 85.95000       33.82813 165.9146       34.34922 39.13006 9.017291 56.40601 6.330478 -17.27595      11.01755 
1 1 1 9   18 41 o 12.62420 5.969596 -20.31357      19.48139 -24.34000      28.16682 -16.62106      26.97360 15.52262 7.289957 16.00716 7.386285 -0.4845333     10.37789 
1 1 1 9   18 42 o 57.96500 4.490821 170.4751       25.28130 160.3000       36.75515 179.6116       34.82888 54.84826 7.005919 58.61917 6.162107 -3.770912      9.330297 
1 1 1 9   18 43 o 24.38865 8.056643 31.74898       22.34586 40.40000       31.43336 22.91000       31.77301 27.32251 9.547489 23.57294 9.314474 3.749567       13.33844 
1 1 1 9   18 44 o 47.12109 5.347375 115.1061       24.22833 139.9000       37.36044 97.11098       31.82858 50.53443 7.804075 41.79616 8.072173 8.738274       11.22780 
1 1 1 9   18 45 o 74.30864 6.621307 293.0000       47.65640 293.0000       47.65640 0.000000       0.000000 74.30864 6.621307 ?        ?        ?              ?        
1 1 1 9   18 46 o 24.38474 9.229976 29.19487       30.21944 23.39000       36.24982 42.42000       54.71538 24.15929 9.809841 29.33776 11.99951 -5.178471      15.49907 
1 1 1 9   18 47 o 19.03477 8.111564 6.538446       26.57524 0.000000       0.000000 6.538446       26.57524 ?        ?        19.03477 8.111564 ?              ?        
1 1 1 9   18 48 o 50.73991 6.685269 139.4594       32.39579 0.000000       0.000000 139.4594       32.39579 ?        ?        50.73991 6.685269 ?              ?        
1 1 1 9   18 49 o 21.17520 8.468675 18.12062       26.57215 0.000000       0.000000 18.12062       26.57215 ?        ?        21.17520 8.468675 ?              ?        
1 1 1 9   18 50 o 28.29403 7.542083 45.65848       21.26663 60.03000       34.49068 36.84326       27.01265 31.24018 9.986941 25.55173 8.855414 5.688457       13.34756 
1 1 1 9   18 51 o 21.67508 8.549695 20.73417       26.72766 0.000000       0.000000 20.73417       26.72766 ?        ?        21.67508 8.549695 ?              ?        
1 1 1 9   18 52 o 18.85925 7.592866 12.94147       21.51015 42.26000       37.02203 -1.999192      26.42859 27.23356 10.23636 17.43614 7.743999 9.797421       12.83560 
1 1 1 9   18 53 o 36.85223 7.595007 77.37393       26.48528 55.41000       39.28238 95.68000       35.86248 29.81701 10.64989 39.68598 9.381133 -9.868965      14.19246 
1 1 1 9   18 54 o 19.86846 8.097586 14.47830       24.80870 -12.32000      36.23292 38.13000       34.03933 18.67247 8.596144 26.03687 9.809142 -7.364399      13.04274 
1 1 1 9   18 55 o 23.32471 8.363108 30.07569       24.24826 44.06000       38.61322 20.97000       31.15817 27.22538 10.40294 22.17886 9.061355 5.046524       13.79599 
1 1 1 9   18 56 o 32.04461 8.001590 61.11539       25.02020 44.07000       38.33922 73.76000       33.02117 26.92625 10.34647 34.04807 9.532527 -7.121824      14.06835 
1 1 1 9   19 0  o 675.5586 12.74100 22716.68       842.5052 25480.00       1831.897 21975.40       948.8032 695.0582 26.97734 662.6808 14.62735 32.37744       30.68772 
1 1 1 9   19 1  o 79.65984 3.777115 311.7286       29.36751 348.9000       63.60954 301.6591       33.10714 83.80299 7.845763 78.31248 4.335938 5.490517       8.964170 
1 1 1 9   19 2  o 261.2687 7.419878 3362.905       189.5616 3193.000       261.8502 3550.000       274.7779 253.7184 10.56687 267.5670 10.51209 -13.84853      14.90512 
1 1 1 9   19 3  o 215.6915 4.497011 2281.787       94.94307 2534.000       205.2198 2213.103       107.0933 226.3244 9.283343 212.3492 5.152348 13.97517       10.61730 
1 1 1 9   19 4  f 251.2304 5.056423 3097.483       124.3431 3178.000       255.1375 3072.402       142.3990 253.1805 10.31688 250.1008 5.816820 3.079697       11.84371 
1 1 1 9   19 5  o 269.0363 5.357983 3553.461       141.0972 3673.000       289.8869 3516.349       161.5214 271.9857 10.91085 267.4922 6.168969 4.493500       12.53407 
1 1 1 9   19 6  o 148.3808 5.153640 1081.984       74.73743 0.000000       0.000000 1081.984       74.73743 ?        ?        148.3808 5.153640 ?              ?        
1 1 1 9   19 7  o 68.26724 3.547737 229.0225       23.62530 190.7000       56.01223 237.3157       26.05652 61.38782 9.638910 69.47118 3.846843 -8.083355      10.37819 
1 1 1 9   19 8  o 69.09353 6.161543 236.4921       41.23417 236.0000       57.85984 237.0000       58.77885 68.58923 8.822246 68.71215 8.952036 -0.1229172     12.56865 
1 1 1 9   19 9  o 134.5402 3.901162 888.2026       51.32079 0.000000       0.000000 888.2026       51.32079 ?        ?        134.5402 3.901162 ?              ?        
1 1 1 9   19 10 o 44.37122 5.306807 98.04413       22.59188 0.000000       0.000000 98.04413       22.59188 ?        ?        44.37122 5.306807 ?              ?        
1 1 1 9   19 11 o 136.6256 4.658407 917.0347       62.20710 0.000000       0.000000 917.0347       62.20710 ?        ?        136.6256 4.658407 ?              ?        
1 1 1 9   19 12 o 121.6408 3.374159 725.7553       40.13573 578.4000       79.14698 776.7660       46.56739 108.0697 7.529198 125.8113 3.785738 -17.74153      8.427373 
1 1 1 9   19 13 o 19.48961 6.670984 17.09800       15.31349 10.21000       47.24717 17.90652       16.18732 26.76104 11.06924 19.97871 6.858047 6.782335       13.02155 
1 1 1 9   19 14 o 110.8493 5.206240 604.9260       56.33109 529.8000       74.29765 706.5000       86.39158 103.3990 7.389669 119.4713 7.424259 -16.07228      10.47506 
1 1 1 9   19 15 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   19 16 o 49.46531 6.549532 122.5823       30.93303 0.000000       0.000000 122.5823       30.93303 ?        ?        49.46531 6.549532 ?              ?        
1 1 1 9   19 17 o 162.2397 5.444592 1295.764       86.34021 1284.000       120.9185 1308.000       123.3241 161.0347 7.693516 162.5162 7.775109 -1.481415      10.93812 
1 1 1 9   19 18 o 257.8744 5.183872 3269.788       130.8485 2825.000       239.0124 3460.146       156.3611 237.8619 10.29006 265.0577 6.026737 -27.19580      11.92506 
1 1 1 9   19 19 o 128.2341 3.377620 807.0616       42.35867 748.7000       84.24713 826.8069       49.00309 122.9233 7.031212 129.7386 3.863066 -6.815315      8.022545 
1 1 1 9   19 20 o 188.1617 4.097997 1738.679       75.47603 1630.000       145.1717 1778.938       88.35646 181.0810 8.211730 190.2173 4.745502 -9.136307      9.484319 
1 1 1 9   19 21 o 20.84206 6.761848 20.79023       15.77232 141.2000       42.28816 1.333634       16.99892 52.65560 8.493747 15.54988 6.550506 37.10572       10.72627 
1 1 1 9   19 22 o 105.7369 3.240283 549.1383       33.49676 509.2000       66.41730 562.7622       38.79156 101.2061 6.742989 106.9828 3.710008 -5.776657      7.696237 
1 1 1 9   19 23 o 104.5506 3.252009 537.0677       33.23962 652.7000       70.55636 504.0834       37.68341 114.6781 6.309957 101.2113 3.810582 13.46686       7.371302 
1 1 1 9   19 24 o 95.23389 3.806745 446.6109       35.41405 0.000000       0.000000 446.6109       35.41405 ?        ?        95.23389 3.806745 ?              ?        
1 1 1 9   19 25 o 206.9433 5.133683 2115.688       103.9888 0.000000       0.000000 2115.688       103.9888 ?        ?        206.9433 5.133683 ?              ?        
1 1 1 9   19 26 o 98.82603 3.939815 481.7227       38.03488 0.000000       0.000000 481.7227       38.03488 ?        ?        98.82603 3.939815 ?              ?        
1 1 1 9   19 27 o 71.59216 5.496857 255.6923       38.22532 0.000000       0.000000 255.6923       38.22532 ?        ?        71.59216 5.496857 ?              ?        
1 1 1 9   19 28 o 132.8678 3.461707 869.7241       44.98277 942.4806       63.07130 794.4025       64.17352 137.9465 4.677820 126.4565 5.195586 11.49004       6.991146 
1 1 1 9   19 29 o 88.69411 3.612830 388.4411       31.29959 380.5853       36.92342 408.5000       59.00092 87.62503 4.318246 89.98919 6.747396 -2.364159      8.010905 
1 1 1 9   19 30 o 83.57564 3.900669 345.8067       31.82185 324.9000       48.73448 361.3458       42.01519 80.28419 6.250773 85.10675 5.066478 -4.822563      8.046202 
1 1 1 9   19 31 o 116.9561 3.816112 676.6696       43.62832 682.5001       51.23965 661.3000       83.19257 117.2264 4.473756 113.8982 7.503908 3.328171       8.736311 
1 1 1 9   19 32 o 80.05483 3.842052 317.7134       30.01839 332.8726       34.44994 269.9000       61.18216 81.81091 4.317288 71.78058 8.898273 10.03033       9.890310 
1 1 1 9   19 33 o 52.33022 4.083332 136.5513       20.75028 134.1951       26.37726 140.3769       33.61077 51.54921 5.303156 52.26229 6.726051 -0.7130737     8.565233 
1 1 1 9   19 34 o 71.01583 3.602247 250.0647       24.95825 279.9706       32.77512 208.7859       38.50599 74.89010 4.491735 64.03582 6.221590 10.85428       7.673583 
1 1 1 9   19 35 o 86.31723 3.381033 368.9131       28.51099 347.6026       36.96365 400.2137       44.79751 83.39318 4.545516 89.24038 5.150331 -5.847198      6.869325 
1 1 1 9   19 36 o 28.31470 6.928942 42.57233       19.04460 53.48192       24.34599 25.37082       30.57078 31.54030 7.902941 24.53706 9.284417 7.003248       12.19249 
1 1 1 9   19 37 o 17.75570 6.996704 10.23559       17.88377 13.11017       22.62513 5.448872       29.19601 19.87152 7.857491 20.21405 8.553524 -0.3425274     11.61477 
1 1 1 9   19 38 o 29.05653 9.468226 45.56755       30.90613 0.000000       0.000000 45.56755       30.90613 ?        ?        29.05653 9.468226 ?              ?        
1 1 1 9   19 39 o 17.85569 6.939463 11.59955       17.39120 7.409933       21.48689 19.55752       29.61334 18.10789 7.474960 22.74761 8.991094 -4.639713      11.69251 
1 1 1 9   19 40 o 63.55915 3.676642 202.1585       22.77604 211.2151       28.87746 187.2516       37.04860 64.57706 4.598599 59.83390 6.426443 4.743160       7.902296 
1 1 1 9   19 41 o 45.02733 4.520853 103.2460       19.65590 124.4217       25.14225 69.95866       31.52283 49.12333 5.313368 35.00496 9.112593 14.11837       10.54852 
1 1 1 9   19 42 o 37.76128 5.436480 74.35088       19.51592 80.46903       23.36181 60.22000       35.50431 38.89961 6.354776 32.15469 10.11496 6.744919       11.94553 
1 1 1 9   19 43 o 26.49285 6.600915 38.19035       17.05438 26.35162       21.15597 60.16103       28.82055 22.65300 7.837564 32.41707 8.840673 -9.764076      11.81461 
1 1 1 9   19 44 o 52.87343 4.533656 142.7292       23.23721 143.9458       25.06782 135.3000       61.94491 52.92116 4.894731 44.95854 13.20761 7.962616       14.08543 
1 1 1 9   19 45 o 26.30957 6.630601 37.97849       17.06666 40.26569       21.53669 34.11779       27.98079 26.80020 7.763699 25.26616 8.992189 1.534042       11.88000 
1 1 1 9   19 46 o 67.13742 3.714872 227.2358       24.31747 204.2261       28.77712 284.7000       45.47684 63.08954 4.693603 73.14406 6.416861 -10.05452      7.950221 
1 1 1 9   19 47 o 16.86450 6.992764 7.015818       18.91922 7.529701       20.42778 3.917000       50.16343 17.44216 7.252150 23.60030 10.56275 -6.158136      12.81270 
1 1 1 9   19 48 o 44.62792 4.451271 102.5234       19.18543 76.63383       24.23552 145.9814       31.39963 37.25886 6.899358 52.15488 6.276698 -14.89602      9.327276 
1 1 1 9   19 49 o 47.82325 4.185522 116.9915       19.39544 82.94798       24.46093 174.6389       31.83067 38.92931 6.658477 57.48222 5.733661 -18.55291      8.786932 
1 1 1 9   19 50 o 29.27486 6.260852 47.02522       17.39743 57.02568       22.62877 32.56969       27.20619 31.69699 7.424552 24.46398 8.847337 7.233011       11.54986 
1 1 1 9   19 51 o 22.73536 7.092186 28.60964       17.49193 32.00008       22.59109 23.53423       27.64046 23.97842 8.104184 22.40318 8.736675 1.575245       11.91668 
1 1 1 9   19 52 o 21.55908 7.332735 24.99511       18.49707 30.86360       22.53301 12.87000       32.38909 23.60326 8.091733 21.20416 8.992419 2.399096       12.09710 
1 1 1 9   19 53 o 30.48581 6.683202 51.84660       19.39180 51.39819       23.36200 52.84000       34.77240 29.72256 7.896724 29.29136 10.05160 0.4311962      12.78252 
1 1 1 9   19 54 o 27.24748 7.082700 42.36995       19.06183 55.94551       23.35035 15.25000       33.00341 31.00778 7.722671 21.54644 9.104615 9.461344       11.93875 
1 1 1 9   19 55 o 41.42652 5.023720 90.71487       19.95512 88.62393       24.38864 94.95000       34.70973 40.03294 6.442494 39.22371 9.200534 0.8092308      11.23190 
1 1 1 9   19 56 o 28.54923 9.621054 51.88000       31.83925 0.000000       0.000000 51.88000       31.83925 ?        ?        28.54923 9.621054 ?              ?        
1 1 1 9   20 0  o 172.7418 3.888731 1462.929       65.75240 1634.000       144.5776 1418.319       73.82942 181.8530 8.142866 169.9854 4.441032 11.86760       9.275184 
1 1 1 9   20 1  o 263.6927 5.264865 3413.920       135.8913 3453.000       276.2419 3401.444       156.0829 263.6736 10.72566 263.0746 6.061360 0.5989685      12.31990 
1 1 1 9   20 2  o 253.7671 5.911983 3164.434       146.8502 3354.000       265.8549 3081.199       176.1640 259.9413 10.47014 250.0620 7.204708 9.879349       12.70951 
1 1 1 9   20 3  o 457.7245 12.39324 10444.25       554.7478 10840.00       807.1795 10090.00       763.6895 461.7961 17.89106 445.8403 17.53392 15.95572       25.05052 
1 1 1 9   20 4  o 77.34966 4.209229 294.2856       31.74882 378.6000       64.79980 267.6523       36.41967 87.32555 7.658443 73.66666 5.081926 13.65889       9.191176 
1 1 1 9   20 5  o 212.9794 4.466558 2225.237       93.11436 2302.000       192.7928 2201.883       106.3394 215.6213 9.155507 211.7792 5.129852 3.842148       10.49470 
1 1 1 9   20 6  o 144.1629 3.573723 1018.705       50.42901 1045.000       107.4470 1011.277       57.10981 145.4304 7.574122 143.5464 4.068650 1.883926       8.597746 
1 1 1 9   20 7  o 98.92223 4.938859 481.5287       47.67063 0.000000       0.000000 481.5287       47.67063 ?        ?        98.92223 4.938859 ?              ?        
1 1 1 9   20 8  o 120.6314 3.983380 714.3624       46.97019 606.3000       82.03445 767.0671       57.29062 110.6496 7.620806 124.9351 4.693163 -14.28552      8.949998 
1 1 1 9   20 9  o 146.7517 4.116905 1057.106       59.07869 877.8000       100.8237 1150.861       72.90607 133.1925 7.767216 153.0381 4.873173 -19.84564      9.169376 
1 1 1 9   20 10 f 72.16864 4.258948 256.3906       29.95173 0.000000       0.000000 256.3906       29.95173 ?        ?        72.16864 4.258948 ?              ?        
1 1 1 9   20 11 o 262.0891 7.528618 3390.468       192.9390 0.000000       0.000000 3390.468       192.9390 ?        ?        262.0891 7.528618 ?              ?        
1 1 1 9   20 12 o 130.4899 3.936766 835.9395       50.22566 0.000000       0.000000 835.9395       50.22566 ?        ?        130.4899 3.936766 ?              ?        
1 1 1 9   20 13 o 234.5064 5.559049 2703.799       127.6031 2510.000       212.2024 2813.568       159.7031 224.7093 9.670316 238.8439 6.838176 -14.13455      11.84380 
1 1 1 9   20 14 o 123.4004 3.350610 747.0901       40.43382 578.9000       80.76047 803.3522       46.70963 108.0054 7.689479 127.9289 3.734192 -19.92347      8.548232 
1 1 1 9   20 15 o 205.1586 6.251011 2074.831       125.3832 0.000000       0.000000 2074.831       125.3832 ?        ?        205.1586 6.251011 ?              ?        
1 1 1 9   20 16 o 115.7325 4.000252 658.1288       45.24761 560.7000       75.88425 711.8788       56.36344 106.2915 7.338733 120.2693 4.797432 -13.97775      8.767689 
1 1 1 9   20 17 o 104.7448 4.004794 539.3364       40.98437 460.5000       69.44159 581.4769       50.76987 96.23213 7.429627 108.6659 4.784898 -12.43375      8.837115 
1 1 1 9   20 18 o 94.57651 4.092014 440.0455       37.79181 0.000000       0.000000 440.0455       37.79181 ?        ?        94.57651 4.092014 ?              ?        
1 1 1 9   20 19 o 184.9636 4.057492 1680.377       73.45986 1471.000       136.9299 1764.989       87.04658 171.9377 8.159469 189.4484 4.694124 -17.51067      9.413380 
1 1 1 9   20 20 o 32.36454 5.167496 52.85466       15.82002 90.48000       41.60549 46.49528       17.10480 41.66344 10.26893 30.17096 6.003172 11.49248       11.89491 
1 1 1 9   20 21 o 88.98100 3.202015 389.0641       27.84314 360.0000       57.04403 398.1540       31.90137 84.95094 6.920077 89.96458 3.630148 -5.013649      7.814438 
1 1 1 9   20 22 o 79.71341 4.119388 313.3704       32.03278 245.7000       51.27268 356.6926       41.02441 69.86275 7.621246 84.92037 4.956974 -15.05762      9.091478 
1 1 1 9   20 23 o 99.11314 3.761575 483.7354       36.42656 0.000000       0.000000 483.7354       36.42656 ?        ?        99.11314 3.761575 ?              ?        
1 1 1 9   20 24 o 120.9376 3.363462 719.4050       39.77700 669.2000       76.10693 738.2728       46.65653 115.7611 6.745923 122.4099 3.898916 -6.648857      7.791599 
1 1 1 9   20 25 o 66.18784 3.705950 216.2971       23.91366 268.8000       47.96851 198.9330       27.58610 73.11589 6.779739 63.33611 4.478603 9.779785       8.125439 
1 1 1 9   20 26 o 51.52687 4.294092 131.9390       21.46096 174.5000       42.26026 117.1488       24.91236 58.49458 7.557356 48.31949 5.357184 10.17508       9.263534 
1 1 1 9   20 27 o 44.80707 6.761015 102.6259       28.73071 76.91000       39.83712 130.5000       41.47508 37.97124 10.40957 50.00675 8.794197 -12.03551      13.62707 
1 1 1 9   20 28 o 91.04658 4.408832 411.1488       39.17423 488.7000       54.57180 328.7000       56.26860 98.86839 5.662718 80.46365 7.221015 18.40474       9.176570 
1 1 1 9   20 29 o 99.55152 3.251399 488.7766       31.64036 508.5969       42.27881 463.5443       47.70309 101.2720 4.274694 96.41516 5.072541 4.856827       6.633527 
1 1 1 9   20 30 o 56.38128 4.317345 158.4266       23.64512 152.2037       26.39606 183.7000       53.19568 55.10104 4.946692 58.85392 9.562010 -3.752880      10.76577 
1 1 1 9   20 31 o 95.67942 3.270105 452.0617       30.58072 440.0181       39.55318 469.9601       48.21801 94.08757 4.306217 96.94646 5.099186 -2.858894      6.674219 
1 1 1 9   20 32 o 18.55694 6.943614 13.63364       16.99443 36.36366       20.90765 -30.62683      29.17517 26.34593 7.654593 15.50887 7.325155 10.83706       10.59484 
1 1 1 9   20 33 o 73.94486 3.411088 270.7284       24.62270 247.9129       31.15988 308.6610       40.17786 70.43613 4.543778 78.35799 5.269013 -7.921860      6.957616 
1 1 1 9   20 34 o 49.05827 4.192946 120.4701       19.94151 111.0368       24.91731 137.2764       33.25860 46.68765 5.561678 51.53476 6.755738 -4.847103      8.750558 
1 1 1 9   20 35 o 69.11733 3.464160 237.0475       23.36170 232.8512       29.79556 243.7438       37.63908 68.18570 4.489262 69.34052 5.592981 -1.154823      7.171813 
1 1 1 9   20 36 o 33.30408 5.775570 57.65794       18.14559 60.10927       22.64655 53.26189       30.32722 33.58177 7.111278 31.20044 9.261135 2.381336       11.67642 
1 1 1 9   20 37 o 15.52680 6.921994 -6.159327      21.31955 -45.22000      31.34062 27.48401       29.08622 14.75416 7.132879 24.49904 9.100263 -9.744881      11.56256 
1 1 1 9   20 38 o 33.35428 5.736602 58.21375       18.05375 51.65145       21.91137 72.08739       31.85934 30.82732 7.362977 35.80920 9.078447 -4.981880      11.68895 
1 1 1 9   20 39 o 56.80957 3.714133 161.7259       20.53984 138.9806       24.78897 211.5466       36.68752 52.18561 4.910620 63.91495 5.931904 -11.72934      7.700758 
1 1 1 9   20 40 o 19.54544 6.780513 18.66138       15.83883 16.09127       18.68583 25.22101       29.85224 19.36096 7.273351 23.79973 9.133676 -4.438774      11.67586 
1 1 1 9   20 41 o 22.66685 6.849037 27.50095       16.47570 22.12859       18.65058 46.59000       35.15621 21.09009 7.355305 28.98528 10.09913 -7.895195      12.49372 
1 1 1 9   20 42 o 21.69670 6.575696 25.09139       15.17082 28.03459       17.64087 16.73338       29.72773 22.87458 7.120250 21.92630 8.890772 0.9482822      11.39051 
1 1 1 9   20 43 o 48.94363 4.229831 121.7710       20.06533 106.2007       21.11995 266.1000       64.30151 45.43024 4.823038 67.60345 10.02021 -22.17321      11.12053 
1 1 1 9   20 44 o 46.69071 7.024638 118.3017       31.11037 0.000000       0.000000 118.3017       31.11037 ?        ?        46.69071 7.024638 ?              ?        
1 1 1 9   20 45 o 16.81166 7.558380 -6.416033      26.00569 0.000000       0.000000 -6.416033      26.00569 ?        ?        16.81166 7.558380 ?              ?        
1 1 1 9   20 46 o 43.24921 7.410022 103.9650       30.24127 0.000000       0.000000 103.9650       30.24127 ?        ?        43.24921 7.410022 ?              ?        
1 1 1 9   20 47 o 42.66991 8.964928 107.1000       36.25108 0.000000       0.000000 107.1000       36.25108 ?        ?        42.66991 8.964928 ?              ?        
1 1 1 9   20 48 o 30.44153 11.87194 55.94000       51.04004 0.000000       0.000000 55.94000       51.04004 ?        ?        30.44153 11.87194 ?              ?        
1 1 1 9   20 49 f 33.14280 8.692553 65.07713       28.54308 0.000000       0.000000 65.07713       28.54308 ?        ?        33.14280 8.692553 ?              ?        
1 1 1 9   20 50 o 24.78591 8.868778 34.03517       27.25429 0.000000       0.000000 34.03517       27.25429 ?        ?        24.78591 8.868778 ?              ?        
1 1 1 9   20 51 o 53.24983 8.080671 161.6000       40.79743 0.000000       0.000000 161.6000       40.79743 ?        ?        53.24983 8.080671 ?              ?        
1 1 1 9   20 52 o 22.53302 8.737421 24.70467       27.52250 0.000000       0.000000 24.70467       27.52250 ?        ?        22.53302 8.737421 ?              ?        
1 1 1 9   20 53 o 20.37531 8.714211 10.47000       30.86900 0.000000       0.000000 10.47000       30.86900 ?        ?        20.37531 8.714211 ?              ?        
1 1 1 9   20 54 o 21.79085 8.900576 20.16000       30.05294 0.000000       0.000000 20.16000       30.05294 ?        ?        21.79085 8.900576 ?              ?        
1 1 1 9   20 55 o 22.57631 8.937382 25.59000       29.30281 0.000000       0.000000 25.59000       29.30281 ?        ?        22.57631 8.937382 ?              ?        
1 1 1 9   21 0  o 146.6680 3.600060 1054.506       51.68344 967.1000       105.9365 1081.809       59.20786 139.8349 7.770249 148.4651 4.078123 -8.630203      8.775413 
1 1 1 9   21 1  o 280.0341 5.544235 3852.690       151.9703 3973.000       312.6319 3815.466       173.8984 282.4447 11.33121 278.5055 6.379043 3.939178       13.00340 
1 1 1 9   21 2  o 101.0488 3.355880 500.9901       33.14674 544.4000       77.27576 491.2022       36.69384 104.8220 7.582812 100.0239 3.754524 4.798141       8.461411 
1 1 1 9   21 3  o 105.7729 3.350277 548.8792       34.64281 586.2000       79.98467 540.2615       38.43490 108.7918 7.558110 104.9062 3.749015 3.885590       8.436832 
1 1 1 9   21 4  o 151.2544 3.680726 1121.628       54.49388 1048.000       110.6073 1145.229       62.62144 145.5621 7.791382 152.7408 4.192497 -7.178711      8.847750 
1 1 1 9   21 5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   21 6  o 100.3939 3.410292 494.6059       33.46373 433.2000       72.16782 511.4252       37.76962 93.35770 7.973716 102.0570 3.787455 -8.699341      8.827512 
1 1 1 9   21 7  o 114.5251 3.440634 643.5249       38.52589 544.5000       80.08834 673.3384       43.94434 104.7505 7.868515 117.1151 3.838585 -12.36451      8.754899 
1 1 1 9   21 8  o 57.64279 6.004897 165.1774       33.38488 210.7000       58.15401 142.8000       40.77288 64.54918 9.486949 53.18782 8.085939 11.36136       12.46534 
1 1 1 9   21 9  o 179.6577 4.018159 1583.357       70.66090 1430.000       136.7349 1639.234       82.53596 169.9087 8.246250 182.6742 4.619644 -12.76549      9.452077 
1 1 1 9   21 10 o 86.03263 3.400271 363.4351       28.57766 242.6000       63.08113 394.6391       32.05588 69.31059 9.551794 89.63288 3.661418 -20.32229      10.22950 
1 1 1 9   21 11 o 108.9414 4.751181 583.9516       50.54232 0.000000       0.000000 583.9516       50.54232 ?        ?        108.9414 4.751181 ?              ?        
1 1 1 9   21 12 o 148.4766 5.096643 1084.622       73.96124 0.000000       0.000000 1084.622       73.96124 ?        ?        148.4766 5.096643 ?              ?        
1 1 1 9   21 13 o 139.4412 3.539781 954.2237       48.27502 779.0000       97.16970 1011.646       55.62545 125.2510 7.967104 143.5289 3.963181 -18.27792      8.898402 
1 1 1 9   21 14 o 69.18680 3.391799 235.3149       22.89992 162.1000       57.67009 249.0202       24.95137 56.05100 10.90403 71.15901 3.593905 -15.10801      11.48102 
1 1 1 9   21 15 o 148.5296 4.289963 1084.342       62.30422 909.6000       101.0632 1191.468       79.13010 135.3721 7.658302 155.5452 5.204642 -20.17317      9.259476 
1 1 1 9   21 16 f 110.6761 3.979272 602.1774       43.03841 576.3000       74.19425 615.3008       52.83630 107.7465 7.074078 111.7585 4.841470 -4.011963      8.572188 
1 1 1 9   21 17 o 78.48100 4.124719 303.3871       31.57459 246.7000       54.46195 332.0871       38.75178 70.05510 8.090814 82.02251 4.848351 -11.96741      9.432273 
1 1 1 9   21 18 o 103.4277 3.897248 526.1726       39.38433 496.8000       67.09001 541.6172       48.64906 99.95647 6.899434 104.8100 4.754423 -4.853569      8.378945 
1 1 1 9   21 19 o 57.88280 3.503077 165.0996       19.75458 112.0000       45.84047 177.2098       21.89165 46.31709 10.36989 59.94687 3.749609 -13.62978      11.02698 
1 1 1 9   21 20 o 100.1522 3.871177 493.7460       37.87836 468.4000       63.68969 507.6175       47.11688 96.97054 6.752190 101.4034 4.760271 -4.432877      8.261492 
1 1 1 9   21 21 o 74.65930 3.299409 274.2806       24.05206 252.8000       50.60702 280.5485       27.33688 70.88593 7.402629 75.45549 3.712679 -4.569565      8.281480 
1 1 1 9   21 22 o 163.5689 4.397350 1319.366       70.34023 0.000000       0.000000 1319.366       70.34023 ?        ?        163.5689 4.397350 ?              ?        
1 1 1 9   21 23 o 73.81796 3.851991 268.9773       27.73628 0.000000       0.000000 268.9773       27.73628 ?        ?        73.81796 3.851991 ?              ?        
1 1 1 9   21 24 f 133.0514 3.473309 871.5762       45.19573 827.2000       87.01049 887.9731       52.89058 128.4750 6.944871 134.1597 4.032209 -5.684738      8.030563 
1 1 1 9   21 25 o 177.7363 4.001418 1558.050       69.61395 1526.000       135.0612 1569.645       81.23602 173.7677 7.961795 178.0921 4.664142 -4.324387      9.227372 
1 1 1 9   21 26 o 78.43184 3.835049 304.1391       29.35289 272.3000       50.73620 320.1573       35.98692 73.27187 7.165647 80.30081 4.597667 -7.028946      8.513815 
1 1 1 9   21 27 o 94.47807 4.705803 443.6790       43.38123 492.0000       61.62176 396.2000       61.08244 98.86983 6.401845 88.38667 7.120516 10.48315       9.575249 
1 1 1 9   21 28 o 145.5013 3.579207 1044.670       50.97532 1121.980       71.59148 965.1694       72.59905 150.1886 4.876345 139.0612 5.343524 11.12740       7.234085 
1 1 1 9   21 29 o 85.72298 3.730658 363.7708       31.22826 356.5765       35.51376 388.3000       65.57589 84.71262 4.296978 86.96414 7.785966 -2.251526      8.892991 
1 1 1 9   21 30 o 41.66120 4.644567 87.32273       18.61841 98.79736       23.18879 66.50562       31.23338 44.12156 5.487598 35.15492 9.029719 8.966637       10.56644 
1 1 1 9   21 31 o 104.8948 3.251910 543.5443       33.34830 508.1660       42.76328 598.4497       53.27328 101.0555 4.333266 109.3931 4.988362 -8.337593      6.607643 
1 1 1 9   21 32 o 76.84055 5.470037 297.5676       40.87312 0.000000       0.000000 297.5676       40.87312 ?        ?        76.84055 5.470037 ?              ?        
1 1 1 9   21 33 o 39.10379 8.365108 82.18517       31.04978 0.000000       0.000000 82.18517       31.04978 ?        ?        39.10379 8.365108 ?              ?        
1 1 1 9   21 34 o 87.10380 5.158666 382.0419       43.78560 0.000000       0.000000 382.0419       43.78560 ?        ?        87.10380 5.158666 ?              ?        
1 1 1 9   21 35 o 36.37604 8.714545 72.54269       30.62125 0.000000       0.000000 72.54269       30.62125 ?        ?        36.37604 8.714545 ?              ?        
1 1 1 9   21 36 o 84.01888 5.347099 358.5620       43.74637 0.000000       0.000000 358.5620       43.74637 ?        ?        84.01888 5.347099 ?              ?        
1 1 1 9   21 37 o 29.22769 9.455097 46.87855       30.85190 0.000000       0.000000 46.87855       30.85190 ?        ?        29.22769 9.455097 ?              ?        
1 1 1 9   21 38 o 32.16514 9.533093 58.92456       32.15401 0.000000       0.000000 58.92456       32.15401 ?        ?        32.16514 9.533093 ?              ?        
1 1 1 9   21 39 o 19.51464 8.370801 4.195559       28.63885 0.000000       0.000000 4.195559       28.63885 ?        ?        19.51464 8.370801 ?              ?        
1 1 1 9   21 40 o 39.56532 10.01349 91.94000       38.80714 0.000000       0.000000 91.94000       38.80714 ?        ?        39.56532 10.01349 ?              ?        
1 1 1 9   21 41 o 24.46759 9.219214 28.81527       30.07048 0.000000       0.000000 28.81527       30.07048 ?        ?        24.46759 9.219214 ?              ?        
1 1 1 9   21 42 f 87.19243 9.195175 430.0000       77.29710 0.000000       0.000000 430.0000       77.29710 ?        ?        87.19243 9.195175 ?              ?        
1 1 1 9   21 43 o 21.00625 8.563793 14.99008       27.75732 0.000000       0.000000 14.99008       27.75732 ?        ?        21.00625 8.563793 ?              ?        
1 1 1 9   21 44 o 39.39809 8.022054 87.53326       29.88363 0.000000       0.000000 87.53326       29.88363 ?        ?        39.39809 8.022054 ?              ?        
1 1 1 9   21 45 o 23.09321 8.826500 25.81133       27.80230 0.000000       0.000000 25.81133       27.80230 ?        ?        23.09321 8.826500 ?              ?        
1 1 1 9   21 46 o 53.33488 6.428831 153.2565       32.88601 0.000000       0.000000 153.2565       32.88601 ?        ?        53.33488 6.428831 ?              ?        
1 1 1 9   21 47 o 24.01681 8.932530 30.17641       28.04077 0.000000       0.000000 30.17641       28.04077 ?        ?        24.01681 8.932530 ?              ?        
1 1 1 9   21 48 o 22.53075 9.166055 20.88000       31.71910 0.000000       0.000000 20.88000       31.71910 ?        ?        22.53075 9.166055 ?              ?        
1 1 1 9   21 49 o 19.70924 9.366391 -34.22000      49.12614 0.000000       0.000000 -34.22000      49.12614 ?        ?        19.70924 9.366391 ?              ?        
1 1 1 9   21 50 o 25.31799 9.604461 34.68000       32.76445 0.000000       0.000000 34.68000       32.76445 ?        ?        25.31799 9.604461 ?              ?        
1 1 1 9   21 51 o 19.23403 8.158084 9.010283       26.66415 0.000000       0.000000 9.010283       26.66415 ?        ?        19.23403 8.158084 ?              ?        
1 1 1 9   21 52 f 21.89130 9.083976 17.95000       31.96083 0.000000       0.000000 17.95000       31.96083 ?        ?        21.89130 9.083976 ?              ?        
1 1 1 9   21 53 o 26.40907 9.593122 41.41000       32.03268 0.000000       0.000000 41.41000       32.03268 ?        ?        26.40907 9.593122 ?              ?        
1 1 1 9   21 54 o 23.82001 9.189848 30.92000       30.33274 0.000000       0.000000 30.92000       30.33274 ?        ?        23.82001 9.189848 ?              ?        
1 1 1 9   22 0  o 488.3094 9.261209 11811.73       442.6586 12620.00       929.3934 11574.57       503.4276 494.6849 19.23060 482.4417 10.66071 12.24323       21.98787 
1 1 1 9   22 1  o 310.2591 6.061048 4735.736       184.0681 5157.000       393.1228 4617.451       208.3133 320.8121 12.54322 306.1089 6.952400 14.70316       14.34114 
1 1 1 9   22 2  o 193.4574 4.878422 1839.059       92.30482 1769.000       161.0154 1873.353       112.6536 188.8968 8.731984 195.0722 5.906691 -6.175323      10.54213 
1 1 1 9   22 3  o 268.9425 6.225214 3559.749       163.8777 3825.000       300.2839 3447.239       195.5691 276.8971 11.10168 264.2009 7.570206 12.69617       13.43709 
1 1 1 9   22 4  o 300.2869 5.905746 4435.761       173.5871 5044.000       380.9579 4276.384       195.0078 317.3107 12.28875 294.6094 6.762376 22.70135       14.02651 
1 1 1 9   22 5  o 132.7992 5.193344 867.9105       67.37683 1029.000       105.9989 758.7000       87.27703 144.1958 7.536204 123.8169 7.232841 20.37887       10.44549 
1 1 1 9   22 6  o 123.5784 5.036334 751.5274       60.79284 792.4000       93.96241 722.1000       79.72855 126.4613 7.626289 120.8622 6.766351 5.599075       10.19528 
1 1 1 9   22 7  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   22 8  o 176.0760 3.969912 1521.071       68.42068 1326.000       133.2161 1590.968       79.74200 163.5029 8.351527 179.9526 4.530731 -16.44965      9.501344 
1 1 1 9   22 9  o 227.7732 4.698264 2548.192       104.7481 2490.000       210.1857 2567.420       120.8209 223.6906 9.622018 228.4999 5.401940 -4.809326      11.03468 
1 1 1 9   22 10 o 188.8071 4.751998 1752.478       87.75172 1782.000       157.8266 1739.269       105.5747 189.4597 8.532434 187.9002 5.746945 1.559494       10.28736 
1 1 1 9   22 11 o 66.04185 4.103389 214.9200       26.39474 206.1000       61.12284 216.9418       29.26394 63.56141 10.16682 66.30317 4.536456 -2.741760      11.13300 
1 1 1 9   22 12 o 109.6813 3.740837 590.9816       40.10252 0.000000       0.000000 590.9816       40.10252 ?        ?        109.6813 3.740837 ?              ?        
1 1 1 9   22 13 o 138.0947 3.955631 936.9531       53.41354 0.000000       0.000000 936.9531       53.41354 ?        ?        138.0947 3.955631 ?              ?        
1 1 1 9   22 14 o 203.7842 4.321676 2040.369       86.20432 1945.000       170.5702 2073.084       99.90167 197.5569 8.843148 205.2824 4.971813 -7.725494      10.14496 
1 1 1 9   22 15 o 99.54876 3.143561 486.5617       30.59280 553.8000       72.18859 471.8423       33.77582 105.5668 7.026094 97.98902 3.527210 7.577759       7.861756 
1 1 1 9   22 16 o 86.59999 4.120818 369.3758       34.83050 331.6000       61.43082 387.2733       42.28406 81.35561 7.810047 88.56452 4.896709 -7.208908      9.218167 
1 1 1 9   22 17 o 160.7960 4.410176 1272.868       69.34688 1181.000       116.2107 1323.672       86.42011 153.9381 7.737281 163.7377 5.399509 -9.799576      9.435053 
1 1 1 9   22 18 o 75.19154 4.219337 278.9797       30.92956 243.2000       54.09144 296.3610       37.70095 69.39410 8.116572 77.38039 5.004382 -7.986298      9.535334 
1 1 1 9   22 19 o 33.32404 4.892631 55.89820       15.48408 52.85000       44.38140 56.32065       16.52226 33.29438 11.35771 33.38988 5.226631 -0.9549713E-01 12.50261 
1 1 1 9   22 20 o 109.1758 3.256926 586.0291       34.76601 622.0000       74.36073 575.9669       39.32913 111.6263 6.838487 108.1582 3.720453 3.468163       7.785029 
1 1 1 9   22 21 o 146.3506 4.249463 1056.458       60.80992 897.9000       96.28983 1161.649       78.42886 133.8537 7.377801 153.1638 5.239060 -19.31013      9.048739 
1 1 1 9   22 22 o 64.96077 3.477108 208.1734       22.02877 167.7000       48.74406 218.5612       24.69441 56.92752 9.050293 66.51472 3.808853 -9.587200      9.819122 
1 1 1 9   22 23 o 60.64619 3.610143 181.7328       21.33361 192.3000       47.37637 179.0451       23.89311 61.26902 8.097851 60.11426 4.084853 1.154762       9.069797 
1 1 1 9   22 24 o 85.86505 3.774691 364.1319       31.64765 0.000000       0.000000 364.1319       31.64765 ?        ?        85.86505 3.774691 ?              ?        
1 1 1 9   22 25 o 72.06234 3.839249 256.9632       26.98302 284.2000       50.10072 245.8349       32.02439 74.91302 6.910349 70.29209 4.681123 4.620926       8.346606 
1 1 1 9   22 26 f 108.4614 3.335036 580.2675       35.36436 577.5000       68.20241 581.2853       41.35868 107.0251 6.541648 108.4003 3.904269 -1.375191      7.618167 
1 1 1 9   22 27 o 68.34071 3.424876 230.9193       22.83727 274.7951       29.27859 162.7531       36.49405 74.42561 4.034113 56.46180 6.736001 17.96381       7.851610 
1 1 1 9   22 28 o 46.36003 11.75952 119.6000       53.43568 0.000000       0.000000 119.6000       53.43568 ?        ?        46.36003 11.75952 ?              ?        
1 1 1 9   22 29 o 72.47938 5.568508 264.6256       39.20308 0.000000       0.000000 264.6256       39.20308 ?        ?        72.47938 5.568508 ?              ?        
1 1 1 9   22 30 o 115.2806 5.101662 665.4000       57.42448 0.000000       0.000000 665.4000       57.42448 ?        ?        115.2806 5.101662 ?              ?        
1 1 1 9   22 31 o 76.23100 5.387534 292.7529       39.94120 0.000000       0.000000 292.7529       39.94120 ?        ?        76.23100 5.387534 ?              ?        
1 1 1 9   22 32 o 124.7583 5.153922 781.6201       62.80257 0.000000       0.000000 781.6201       62.80257 ?        ?        124.7583 5.153922 ?              ?        
1 1 1 9   22 33 o 77.21316 5.311054 301.1081       39.89558 0.000000       0.000000 301.1081       39.89558 ?        ?        77.21316 5.311054 ?              ?        
1 1 1 9   22 34 o 91.39979 5.145727 421.9101       45.85014 0.000000       0.000000 421.9101       45.85014 ?        ?        91.39979 5.145727 ?              ?        
1 1 1 9   22 35 o 58.37017 6.354234 176.5999       35.71916 0.000000       0.000000 176.5999       35.71916 ?        ?        58.37017 6.354234 ?              ?        
1 1 1 9   22 36 o 28.42716 9.407870 43.83222       30.46567 0.000000       0.000000 43.83222       30.46567 ?        ?        28.42716 9.407870 ?              ?        
1 1 1 9   22 37 o 43.44364 7.942648 103.1678       32.53096 0.000000       0.000000 103.1678       32.53096 ?        ?        43.44364 7.942648 ?              ?        
1 1 1 9   22 38 o 54.22973 6.638865 155.4244       34.50605 0.000000       0.000000 155.4244       34.50605 ?        ?        54.22973 6.638865 ?              ?        
1 1 1 9   22 39 o 105.4401 6.853003 587.2000       70.34505 0.000000       0.000000 587.2000       70.34505 ?        ?        105.4401 6.853003 ?              ?        
1 1 1 9   22 40 o 26.34515 9.214581 37.30462       29.28360 0.000000       0.000000 37.30462       29.28360 ?        ?        26.34515 9.214581 ?              ?        
1 1 1 9   22 41 o 33.61760 12.93641 68.30000       59.99651 0.000000       0.000000 68.30000       59.99651 ?        ?        33.61760 12.93641 ?              ?        
1 1 1 9   22 42 o 18.24587 8.000958 -0.8791186E-01 27.37030 0.000000       0.000000 -0.8791186E-01 27.37030 ?        ?        18.24587 8.000958 ?              ?        
1 1 1 9   22 43 o 31.12418 8.917448 56.50375       28.56098 0.000000       0.000000 56.50375       28.56098 ?        ?        31.12418 8.917448 ?              ?        
1 1 1 9   22 44 o 52.64315 6.493232 149.0474       32.75039 0.000000       0.000000 149.0474       32.75039 ?        ?        52.64315 6.493232 ?              ?        
1 1 1 9   22 45 o 35.31421 8.451849 72.67970       28.82514 0.000000       0.000000 72.67970       28.82514 ?        ?        35.31421 8.451849 ?              ?        
1 1 1 9   22 46 o 57.49879 6.100886 176.6357       33.81325 0.000000       0.000000 176.6357       33.81325 ?        ?        57.49879 6.100886 ?              ?        
1 1 1 9   22 47 o 20.24603 8.278732 14.60111       26.03574 0.000000       0.000000 14.60111       26.03574 ?        ?        20.24603 8.278732 ?              ?        
1 1 1 9   22 48 o 19.60277 8.235155 10.57094       26.75053 0.000000       0.000000 10.57094       26.75053 ?        ?        19.60277 8.235155 ?              ?        
1 1 1 9   22 49 o 24.97653 9.627473 32.89000       33.26921 0.000000       0.000000 32.89000       33.26921 ?        ?        24.97653 9.627473 ?              ?        
1 1 1 9   22 50 o 29.69728 11.69605 54.57000       49.95099 0.000000       0.000000 54.57000       49.95099 ?        ?        29.69728 11.69605 ?              ?        
1 1 1 9   22 51 o 26.93440 9.063548 43.04292       28.25654 0.000000       0.000000 43.04292       28.25654 ?        ?        26.93440 9.063548 ?              ?        
1 1 1 9   22 52 o 17.42709 7.939073 -7.760000      29.84174 0.000000       0.000000 -7.760000      29.84174 ?        ?        17.42709 7.939073 ?              ?        
1 1 1 9   22 53 o 24.64835 9.327127 34.43000       30.85384 0.000000       0.000000 34.43000       30.85384 ?        ?        24.64835 9.327127 ?              ?        
1 1 1 9   22 54 o 41.72768 8.884811 106.7000       35.17579 0.000000       0.000000 106.7000       35.17579 ?        ?        41.72768 8.884811 ?              ?        
1 1 1 9   23 0  o 164.8737 3.779254 1333.435       60.99072 1415.000       133.2562 1311.820       68.59756 168.9671 8.080528 163.4221 4.292078 5.544952       9.149693 
1 1 1 9   23 1  o 106.3738 3.862936 555.8448       40.15473 582.1000       82.39057 547.6655       45.98596 108.2528 7.828451 105.5218 4.462295 2.731026       9.010922 
1 1 1 9   23 2  o 141.3063 3.543682 979.8326       48.97560 889.0000       104.3506 1005.494       55.46381 133.8533 8.001035 143.0986 3.963572 -9.245270      8.928967 
1 1 1 9   23 3  o 120.5285 3.349194 712.8284       39.47437 729.9000       91.44303 708.9185       43.76192 121.2893 7.742756 120.1603 3.725240 1.129036       8.592304 
1 1 1 9   23 4  o 103.1897 5.149207 524.7185       51.84523 526.7000       80.26559 523.3000       67.91319 102.8849 8.033898 102.7916 6.787781 0.9325409E-01  10.51748 
1 1 1 9   23 5  o 126.9838 3.918400 791.9906       48.64555 795.5000       94.80407 790.7364       56.67538 126.6286 7.684905 126.8014 4.573790 -0.1728668     8.943004 
1 1 1 9   23 6  o 208.9027 5.103660 2145.599       104.3595 1914.000       174.9160 2273.605       130.0399 196.1203 9.136844 214.7255 6.193568 -18.60527      11.03821 
1 1 1 9   23 7  o 156.8452 4.266101 1208.831       65.43427 1355.000       124.5232 1153.074       76.90849 165.3285 7.716066 153.0426 5.141295 12.28583       9.272033 
1 1 1 9   23 8  f 111.9199 4.602505 616.4836       50.31298 651.5000       80.90280 594.4000       64.24837 114.5961 7.249689 109.6765 6.007639 4.919556       9.415398 
1 1 1 9   23 9  o 147.6921 4.151874 1071.939       59.96207 1128.000       111.3242 1049.028       71.16778 150.8028 7.565952 145.9713 4.988249 4.831436       9.062354 
1 1 1 9   23 10 o 70.17080 4.107213 242.6192       28.08710 124.7000       56.22739 281.8266       32.42198 48.84443 11.87696 75.61127 4.399740 -26.76683      12.66569 
1 1 1 9   23 11 o 25.19106 6.669247 32.46237       16.70083 13.08000       49.33024 34.97152       17.74895 27.53868 11.34280 26.12980 6.855296 1.408876       13.25346 
1 1 1 9   23 12 o 72.18642 4.505469 257.1624       31.67605 0.000000       0.000000 257.1624       31.67605 ?        ?        72.18642 4.505469 ?              ?        
1 1 1 9   23 13 o 163.0812 4.287498 1308.175       68.38128 0.000000       0.000000 1308.175       68.38128 ?        ?        163.0812 4.287498 ?              ?        
1 1 1 9   23 14 o 88.27441 3.489032 383.1469       30.08775 0.000000       0.000000 383.1469       30.08775 ?        ?        88.27441 3.489032 ?              ?        
1 1 1 9   23 15 f 58.19499 3.449371 166.8676       19.56046 136.2000       51.71616 171.9871       21.13016 51.06687 10.68973 59.05788 3.673451 -7.991005      11.30330 
1 1 1 9   23 16 o 117.4062 4.023652 678.6176       46.17164 553.1000       76.26290 751.2467       58.01181 105.1995 7.454449 123.3828 4.812705 -18.18334      8.873046 
1 1 1 9   23 17 o 70.24430 4.305313 243.8246       29.45987 219.3000       53.48540 254.5052       35.29667 65.66756 8.521843 71.64260 5.066010 -5.975044      9.913943 
1 1 1 9   23 18 o 93.18520 4.099305 428.3079       37.29918 341.2000       62.80034 475.7828       46.36234 82.24472 7.897918 98.07634 4.844411 -15.83162      9.265281 
1 1 1 9   23 19 o 145.4370 3.573056 1040.318       50.86524 987.0000       101.8643 1058.028       58.70844 140.3303 7.442520 146.5002 4.098105 -6.169907      8.496209 
1 1 1 9   23 20 o 76.19547 3.245122 285.9111       24.14742 290.0000       56.45031 284.9953       26.71499 75.66792 7.730124 76.01884 3.600507 -0.3509140     8.527513 
1 1 1 9   23 21 o 94.35257 3.261913 438.3446       30.08006 402.5000       63.39402 448.7597       34.17183 89.31695 7.315205 95.39278 3.666535 -6.075829      8.182647 
1 1 1 9   23 22 o 48.43520 3.907707 116.4208       18.36918 134.2000       46.04126 113.0549       20.03263 50.45572 9.674376 47.64749 4.342967 2.808228       10.60448 
1 1 1 9   23 23 o 38.89323 4.661057 75.93781       17.39152 36.02000       41.06754 84.66110       19.19799 29.07172 10.81056 41.05048 4.872787 -11.97876      11.85800 
1 1 1 9   23 24 o 49.48496 4.407711 122.1653       21.12653 180.0000       42.76388 103.4927       24.29883 59.21462 7.549498 45.23508 5.607883 13.97954       9.404428 
1 1 1 9   23 25 f 95.47587 3.989287 451.4995       37.19951 381.8000       56.86841 503.6289       49.18101 86.81335 6.745237 100.5058 5.015036 -13.69248      8.405285 
1 1 1 9   23 26 o 108.3759 3.986020 581.9009       42.21217 548.3000       65.52260 605.7418       55.19195 104.1720 6.457653 110.1399 5.133593 -5.967903      8.249548 
1 1 1 9   23 27 o 51.42875 11.32910 146.2000       55.48761 0.000000       0.000000 146.2000       55.48761 ?        ?        51.42875 11.32910 ?              ?        
1 1 1 9   23 28 o 89.11561 5.275156 398.4448       45.80869 0.000000       0.000000 398.4448       45.80869 ?        ?        89.11561 5.275156 ?              ?        
1 1 1 9   23 29 o 120.9858 5.165526 733.4805       61.03159 0.000000       0.000000 733.4805       61.03159 ?        ?        120.9858 5.165526 ?              ?        
1 1 1 9   23 30 o 27.12651 9.380469 36.44718       30.30378 0.000000       0.000000 36.44718       30.30378 ?        ?        27.12651 9.380469 ?              ?        
1 1 1 9   23 31 o 85.91385 5.261800 371.9078       44.03679 0.000000       0.000000 371.9078       44.03679 ?        ?        85.91385 5.261800 ?              ?        
1 1 1 9   23 32 o 52.63556 6.749461 143.7168       33.97473 0.000000       0.000000 143.7168       33.97473 ?        ?        52.63556 6.749461 ?              ?        
1 1 1 9   23 33 o 21.43185 8.736400 12.78309       28.88391 0.000000       0.000000 12.78309       28.88391 ?        ?        21.43185 8.736400 ?              ?        
1 1 1 9   23 34 o 29.80060 9.359222 48.70855       30.40914 0.000000       0.000000 48.70855       30.40914 ?        ?        29.80060 9.359222 ?              ?        
1 1 1 9   23 35 o 37.02787 9.141910 77.32787       32.93251 0.000000       0.000000 77.32787       32.93251 ?        ?        37.02787 9.141910 ?              ?        
1 1 1 9   23 36 o 22.15920 8.919853 17.14567       29.67997 0.000000       0.000000 17.14567       29.67997 ?        ?        22.15920 8.919853 ?              ?        
1 1 1 9   23 37 o 55.48213 6.614144 162.6251       35.21326 0.000000       0.000000 162.6251       35.21326 ?        ?        55.48213 6.614144 ?              ?        
1 1 1 9   23 38 f 53.50299 8.217473 157.8000       41.66117 0.000000       0.000000 157.8000       41.66117 ?        ?        53.50299 8.217473 ?              ?        
1 1 1 9   23 39 o 16.30633 7.489540 -14.16650      27.28489 0.000000       0.000000 -14.16650      27.28489 ?        ?        16.30633 7.489540 ?              ?        
1 1 1 9   23 40 o 29.88728 12.36419 42.26000       58.96033 0.000000       0.000000 42.26000       58.96033 ?        ?        29.88728 12.36419 ?              ?        
1 1 1 9   23 41 o 32.30551 9.233891 61.19492       30.65936 0.000000       0.000000 61.19492       30.65936 ?        ?        32.30551 9.233891 ?              ?        
1 1 1 9   23 42 o 29.42347 8.928349 50.27652       27.95666 0.000000       0.000000 50.27652       27.95666 ?        ?        29.42347 8.928349 ?              ?        
1 1 1 9   23 43 o 66.84453 5.619215 234.2780       36.42606 0.000000       0.000000 234.2780       36.42606 ?        ?        66.84453 5.619215 ?              ?        
1 1 1 9   23 44 o 19.32391 8.192532 8.371430       26.86945 0.000000       0.000000 8.371430       26.86945 ?        ?        19.32391 8.192532 ?              ?        
1 1 1 9   23 45 o 28.62528 9.074116 48.69143       28.52302 0.000000       0.000000 48.69143       28.52302 ?        ?        28.62528 9.074116 ?              ?        
1 1 1 9   23 46 f 23.35106 8.726068 28.17842       26.82156 0.000000       0.000000 28.17842       26.82156 ?        ?        23.35106 8.726068 ?              ?        
1 1 1 9   23 47 o 27.94184 9.034434 46.35257       28.16998 0.000000       0.000000 46.35257       28.16998 ?        ?        27.94184 9.034434 ?              ?        
1 1 1 9   23 48 f 17.14290 7.908875 -13.64000      30.90463 0.000000       0.000000 -13.64000      30.90463 ?        ?        17.14290 7.908875 ?              ?        
1 1 1 9   23 49 o 16.48073 7.543787 -10.33599      27.36365 0.000000       0.000000 -10.33599      27.36365 ?        ?        16.48073 7.543787 ?              ?        
1 1 1 9   23 50 o 22.41769 9.212649 20.70000       32.44575 0.000000       0.000000 20.70000       32.44575 ?        ?        22.41769 9.212649 ?              ?        
1 1 1 9   23 51 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   23 52 o 43.19755 8.884551 113.1000       36.31169 0.000000       0.000000 113.1000       36.31169 ?        ?        43.19755 8.884551 ?              ?        
1 1 1 9   23 53 o 21.40144 8.803434 19.66000       29.66419 0.000000       0.000000 19.66000       29.66419 ?        ?        21.40144 8.803434 ?              ?        
1 1 1 9   24 0  o 124.1529 3.351424 756.5470       40.69069 766.0000       89.97604 754.1166       45.62265 124.2357 7.433010 123.9065 3.766036 0.3291321      8.332626 
1 1 1 9   24 1  o 85.12127 3.802959 356.2987       31.60589 373.1000       65.60876 351.2214       36.06668 86.46225 7.837318 84.44602 4.378308 2.016228       8.977368 
1 1 1 9   24 2  o 40.44416 4.735744 81.48652       18.39319 54.20000       52.49867 85.30457       19.63791 34.87323 12.32635 41.36095 4.948739 -6.487720      13.28265 
1 1 1 9   24 3  o 162.2648 4.376935 1294.384       69.45507 1608.000       139.3916 1190.805       80.10778 179.9876 7.931506 155.4743 5.271550 24.51324       9.523551 
1 1 1 9   24 4  o 193.8874 5.965678 1854.574       113.0834 1780.000       160.5474 1928.000       159.3078 189.0993 8.697041 196.9718 8.281267 -7.872467      12.00908 
1 1 1 9   24 5  o 105.5844 3.732946 547.8235       38.51889 600.3000       78.91551 531.4111       44.13325 109.9053 7.378379 103.9129 4.348616 5.992393       8.564516 
1 1 1 9   24 6  o 61.50531 4.636287 187.0097       27.70638 292.7000       61.75572 160.3750       31.00153 76.33515 8.403946 56.78045 5.653016 19.55470       10.12832 
1 1 1 9   24 7  o 71.73325 5.875358 255.3609       40.89238 310.0000       62.38532 214.2000       54.14689 78.60710 8.229852 65.07755 8.719555 13.52955       11.99004 
1 1 1 9   24 8  o 162.3716 4.395103 1296.812       69.78881 1458.000       132.4061 1234.806       82.12238 171.2302 7.921359 158.2564 5.308959 12.97383       9.535878 
1 1 1 9   24 9  o 116.1567 3.327448 662.5735       37.79322 740.3000       86.09955 644.0234       42.06199 122.0408 7.240119 114.4640 3.759274 7.576767       8.157908 
1 1 1 9   24 10 o 109.3641 4.546525 589.3220       48.56377 625.3000       79.96744 568.3000       61.12672 112.0693 7.330109 107.1552 5.850082 4.914101       9.378377 
1 1 1 9   24 11 o 161.6873 4.337062 1286.626       68.57808 1458.000       131.3999 1222.472       80.39593 171.0573 7.868867 157.4030 5.225373 13.65428       9.445825 
1 1 1 9   24 12 o 120.7508 3.303038 716.2775       39.00331 802.9000       88.29814 695.2784       43.47461 127.0047 7.131376 118.9033 3.740038 8.101456       8.052603 
1 1 1 9   24 13 o 42.73706 5.475226 91.60056       22.37864 0.000000       0.000000 91.60056       22.37864 ?        ?        42.73706 5.475226 ?              ?        
1 1 1 9   24 14 o 177.8480 5.463891 1563.851       95.00397 0.000000       0.000000 1563.851       95.00397 ?        ?        177.8480 5.463891 ?              ?        
1 1 1 9   24 15 o 64.46341 3.382747 204.7178       21.26995 174.1000       56.26756 209.8224       22.97468 57.83084 10.31870 65.23472 3.612129 -7.403877      10.93266 
1 1 1 9   24 16 o 108.5924 3.256252 579.8724       34.57266 558.6000       73.81625 585.8501       39.12983 105.6180 7.182900 109.0818 3.670020 -3.463791      8.066170 
1 1 1 9   24 17 o 15.33647 6.867547 -8.939847      21.23349 26.89000       43.35852 -20.24366      24.35367 28.07715 10.94437 15.00564 6.957161 13.07151       12.96847 
1 1 1 9   24 18 o 32.09616 7.462306 53.60947       22.99843 14.34000       44.72367 67.72692       26.81564 26.29462 10.81214 36.07049 7.820858 -9.775867      13.34422 
1 1 1 9   24 19 o 50.60334 3.667548 126.7530       18.04280 118.4000       47.91996 128.1328       19.47606 47.11007 10.64372 50.83481 3.944973 -3.724739      11.35128 
1 1 1 9   24 20 o 135.6919 4.153360 909.7059       55.09958 891.6000       93.76803 919.2549       68.09647 133.0699 7.226056 136.0700 5.121910 -3.000107      8.857192 
1 1 1 9   24 21 o 85.49393 3.216414 360.2160       26.86819 273.3000       56.70724 385.3762       30.51020 73.06434 8.063100 88.37082 3.534328 -15.30648      8.803696 
1 1 1 9   24 22 o 49.14021 4.055185 120.1112       19.33189 143.5000       44.25337 114.5952       21.49095 52.28845 8.969143 47.86965 4.644896 4.418804       10.10052 
1 1 1 9   24 23 o 96.32384 3.560879 458.4001       33.51575 505.2000       63.20970 440.0966       39.53014 100.0622 6.488667 94.17547 4.299635 5.886772       7.783936 
1 1 1 9   24 24 o 49.16950 4.676589 121.1047       22.23702 0.000000       0.000000 121.1047       22.23702 ?        ?        49.16950 4.676589 ?              ?        
1 1 1 9   24 25 o 66.66167 4.031996 220.8025       26.18588 242.1000       45.49842 210.2537       32.02078 68.87952 6.838600 64.75365 5.092941 4.125877       8.526693 
1 1 1 9   24 26 o 47.93661 4.657567 115.3591       21.57893 132.6000       34.35746 104.1275       27.73086 50.63403 7.129357 44.98836 6.484320 5.645672       9.637123 
1 1 1 9   24 27 o 69.56378 5.911767 245.1778       39.87284 0.000000       0.000000 245.1778       39.87284 ?        ?        69.56378 5.911767 ?              ?        
1 1 1 9   24 28 f 36.12379 8.980976 70.74606       31.62035 0.000000       0.000000 70.74606       31.62035 ?        ?        36.12379 8.980976 ?              ?        
1 1 1 9   24 29 o 77.52193 5.402127 303.2539       40.73518 0.000000       0.000000 303.2539       40.73518 ?        ?        77.52193 5.402127 ?              ?        
1 1 1 9   24 30 o 23.37869 9.002395 21.47309       29.06829 0.000000       0.000000 21.47309       29.06829 ?        ?        23.37869 9.002395 ?              ?        
1 1 1 9   24 31 o 54.11855 6.729445 152.0166       34.87988 0.000000       0.000000 152.0166       34.87988 ?        ?        54.11855 6.729445 ?              ?        
1 1 1 9   24 32 o 56.90041 6.414625 167.6959       35.10480 0.000000       0.000000 167.6959       35.10480 ?        ?        56.90041 6.414625 ?              ?        
1 1 1 9   24 33 o 74.28278 5.562220 282.0189       40.14925 0.000000       0.000000 282.0189       40.14925 ?        ?        74.28278 5.562220 ?              ?        
1 1 1 9   24 34 o 22.79373 9.078504 19.22625       30.41141 0.000000       0.000000 19.22625       30.41141 ?        ?        22.79373 9.078504 ?              ?        
1 1 1 9   24 35 o 80.59605 5.542146 333.8571       43.45562 0.000000       0.000000 333.8571       43.45562 ?        ?        80.59605 5.542146 ?              ?        
1 1 1 9   24 36 o 27.52211 9.293997 41.48592       29.71131 0.000000       0.000000 41.48592       29.71131 ?        ?        27.52211 9.293997 ?              ?        
1 1 1 9   24 37 o 52.05965 8.490972 150.8000       41.77784 0.000000       0.000000 150.8000       41.77784 ?        ?        52.05965 8.490972 ?              ?        
1 1 1 9   24 38 o 36.28570 8.788725 75.38264       30.88103 0.000000       0.000000 75.38264       30.88103 ?        ?        36.28570 8.788725 ?              ?        
1 1 1 9   24 39 o 36.07130 13.08270 84.40000       59.54459 0.000000       0.000000 84.40000       59.54459 ?        ?        36.07130 13.08270 ?              ?        
1 1 1 9   24 40 o 48.95703 7.042236 130.0217       32.77703 0.000000       0.000000 130.0217       32.77703 ?        ?        48.95703 7.042236 ?              ?        
1 1 1 9   24 41 o 44.96577 7.371374 111.3811       31.32097 0.000000       0.000000 111.3811       31.32097 ?        ?        44.96577 7.371374 ?              ?        
1 1 1 9   24 42 o 32.50895 8.893414 62.38189       29.11278 0.000000       0.000000 62.38189       29.11278 ?        ?        32.50895 8.893414 ?              ?        
1 1 1 9   24 43 o 19.58530 8.248023 9.802052       26.93811 0.000000       0.000000 9.802052       26.93811 ?        ?        19.58530 8.248023 ?              ?        
1 1 1 9   24 44 o 24.22466 8.954125 31.39583       28.09678 0.000000       0.000000 31.39583       28.09678 ?        ?        24.22466 8.954125 ?              ?        
1 1 1 9   24 45 o 22.21737 8.652570 23.03661       27.08176 0.000000       0.000000 23.03661       27.08176 ?        ?        22.21737 8.652570 ?              ?        
1 1 1 9   24 46 o 25.36057 8.927265 36.47849       27.51534 0.000000       0.000000 36.47849       27.51534 ?        ?        25.36057 8.927265 ?              ?        
1 1 1 9   24 47 o 21.78362 9.046460 17.26000       31.73284 0.000000       0.000000 17.26000       31.73284 ?        ?        21.78362 9.046460 ?              ?        
1 1 1 9   24 48 o 54.36273 11.07878 189.8000       56.94938 0.000000       0.000000 189.8000       56.94938 ?        ?        54.36273 11.07878 ?              ?        
1 1 1 9   24 49 o 21.82975 8.627668 21.97826       27.26590 0.000000       0.000000 21.97826       27.26590 ?        ?        21.82975 8.627668 ?              ?        
1 1 1 9   24 50 o 25.09722 8.926498 36.29537       27.56946 0.000000       0.000000 36.29537       27.56946 ?        ?        25.09722 8.926498 ?              ?        
1 1 1 9   24 51 o 36.88551 9.586545 86.03000       34.92490 0.000000       0.000000 86.03000       34.92490 ?        ?        36.88551 9.586545 ?              ?        
1 1 1 9   24 52 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   25 0  o 181.5230 4.002412 1618.647       71.11475 1795.000       156.1220 1572.476       79.88339 189.7758 8.425610 178.7575 4.569221 11.01825       9.584815 
1 1 1 9   25 1  o 179.2003 4.639510 1580.571       81.31145 1689.000       150.0482 1535.492       96.74850 184.1007 8.348351 176.3940 5.610569 7.706711       10.05850 
1 1 1 9   25 2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   25 3  o 130.5511 3.906119 837.9115       49.85898 809.7000       92.59451 849.4315       59.16945 127.5751 7.447415 131.3305 4.609987 -3.755394      8.758765 
1 1 1 9   25 4  o 83.39387 3.316905 341.8111       27.02130 346.3000       63.73246 340.8273       29.83565 83.12487 7.928860 83.23399 3.671117 -0.1091156     8.737501 
1 1 1 9   25 5  o 63.39832 3.678826 198.0348       22.73127 172.6000       56.08182 203.0348       24.86539 57.82550 10.28520 64.16044 3.978909 -6.334938      11.02801 
1 1 1 9   25 6  o 109.7100 3.872124 592.0801       41.51644 637.0000       79.76527 575.3897       48.62137 113.0999 7.243263 108.0358 4.608418 5.064041       8.585009 
1 1 1 9   25 7  o 104.7464 5.118835 542.0041       52.32380 630.0000       78.95655 473.1000       69.86820 112.4555 7.211009 97.34267 7.387976 15.11282       10.32380 
1 1 1 9   25 8  o 93.08327 3.253568 425.8169       29.59849 457.7000       69.74953 418.8145       32.68758 95.67762 7.507841 92.26733 3.626396 3.410294       8.337771 
1 1 1 9   25 9  o 45.20920 4.361976 101.4998       19.06322 102.8000       52.93713 101.3060       20.43416 44.17190 11.95458 45.11371 4.696108 -0.9418106     12.84389 
1 1 1 9   25 10 o 145.6852 3.564452 1042.727       50.82933 1185.000       114.4714 1007.786       56.72858 154.0828 7.613485 143.0867 4.054474 10.99612       8.625771 
1 1 1 9   25 11 o 77.31626 3.302219 294.1129       24.93340 358.9000       63.01301 282.0864       27.14917 84.50555 7.702535 75.66770 3.676559 8.837845       8.534995 
1 1 1 9   25 12 o 83.83688 3.828501 346.4185       31.33446 347.7000       63.96115 346.0138       35.94310 83.03801 7.966865 83.69341 4.402997 -0.6554031     9.102600 
1 1 1 9   25 13 o 118.9161 3.373139 695.4916       39.22312 598.5000       80.93230 725.2660       44.84113 109.1911 7.620135 121.3615 3.779366 -12.17040      8.505884 
1 1 1 9   25 14 o 57.83873 3.884963 165.4150       21.86682 0.000000       0.000000 165.4150       21.86682 ?        ?        57.83873 3.884963 ?              ?        
1 1 1 9   25 15 o 31.44597 5.513219 50.38903       16.35143 0.000000       0.000000 50.38903       16.35143 ?        ?        31.44597 5.513219 ?              ?        
1 1 1 9   25 16 o 53.80669 3.468891 143.0321       18.17243 96.99000       47.66208 150.8638       19.65732 42.56549 11.26550 55.23803 3.656206 -12.67254      11.84396 
1 1 1 9   25 17 o 156.4349 4.375371 1209.571       66.93113 1108.000       110.8882 1267.784       83.94788 148.2114 7.669679 159.7604 5.375927 -11.54904      9.366139 
1 1 1 9   25 18 o 39.91562 6.300113 81.35649       23.79928 -2.880000      45.04505 113.9768       28.03113 23.86471 10.36784 47.42297 6.186045 -23.55826      12.07308 
1 1 1 9   25 19 o 110.5204 3.249848 601.7665       35.11879 549.0000       72.70132 617.8268       40.10873 104.2335 7.169387 111.8866 3.667262 -7.653061      8.052883 
1 1 1 9   25 20 o 75.89782 3.201789 284.1325       23.73294 270.0000       54.67231 287.4140       26.34454 72.60052 7.816466 76.27037 3.538455 -3.669853      8.580082 
1 1 1 9   25 21 o 18.59077 6.353290 16.08185       13.88847 50.17000       40.05415 11.42333       14.80709 31.64510 10.78992 17.26888 6.477298 14.37622       12.58483 
1 1 1 9   25 22 o 26.85595 6.123460 37.57243       15.73854 27.04000       38.80302 39.64632       17.21846 26.77780 10.37702 27.54019 6.493762 -0.7623920     12.24139 
1 1 1 9   25 23 o 100.0954 3.235629 494.5374       31.65977 544.6000       64.46387 478.6237       36.34503 103.8048 6.375185 98.31677 3.783752 5.488022       7.413485 
1 1 1 9   25 24 o 34.14199 6.836031 60.99049       22.04794 0.000000       0.000000 60.99049       22.04794 ?        ?        34.14199 6.836031 ?              ?        
1 1 1 9   25 25 o 82.67953 3.312475 338.0305       26.75327 365.6000       49.37769 326.5742       31.83011 85.03078 5.970593 81.06592 4.023957 3.964867       7.200015 
1 1 1 9   25 26 o 44.60822 8.416814 106.0223       35.40387 0.000000       0.000000 106.0223       35.40387 ?        ?        44.60822 8.416814 ?              ?        
1 1 1 9   25 27 o 82.47820 5.598451 343.5626       44.92950 0.000000       0.000000 343.5626       44.92950 ?        ?        82.47820 5.598451 ?              ?        
1 1 1 9   25 28 o 98.91320 5.236947 492.5481       50.52290 0.000000       0.000000 492.5481       50.52290 ?        ?        98.91320 5.236947 ?              ?        
1 1 1 9   25 29 o 91.25920 5.222594 419.8967       46.45708 0.000000       0.000000 419.8967       46.45708 ?        ?        91.25920 5.222594 ?              ?        
1 1 1 9   25 30 o 53.88811 6.596695 150.7272       34.07095 0.000000       0.000000 150.7272       34.07095 ?        ?        53.88811 6.596695 ?              ?        
1 1 1 9   25 31 o 33.65306 9.067830 62.98645       30.53835 0.000000       0.000000 62.98645       30.53835 ?        ?        33.65306 9.067830 ?              ?        
1 1 1 9   25 32 o 50.36272 7.321892 134.9633       35.03783 0.000000       0.000000 134.9633       35.03783 ?        ?        50.36272 7.321892 ?              ?        
1 1 1 9   25 33 o 70.18272 6.047227 255.3837       41.13777 0.000000       0.000000 255.3837       41.13777 ?        ?        70.18272 6.047227 ?              ?        
1 1 1 9   25 34 o 43.42472 8.208602 104.0922       33.61288 0.000000       0.000000 104.0922       33.61288 ?        ?        43.42472 8.208602 ?              ?        
1 1 1 9   25 35 o 59.10681 7.651124 189.2000       43.22830 0.000000       0.000000 189.2000       43.22830 ?        ?        59.10681 7.651124 ?              ?        
1 1 1 9   25 36 o 32.16043 9.271390 59.80273       30.78274 0.000000       0.000000 59.80273       30.78274 ?        ?        32.16043 9.271390 ?              ?        
1 1 1 9   25 37 o 55.21580 12.19752 191.7000       64.16290 0.000000       0.000000 191.7000       64.16290 ?        ?        55.21580 12.19752 ?              ?        
1 1 1 9   25 38 o 23.88147 9.255910 26.20623       30.87476 0.000000       0.000000 26.20623       30.87476 ?        ?        23.88147 9.255910 ?              ?        
1 1 1 9   25 39 o 43.73527 7.711827 106.2358       31.80773 0.000000       0.000000 106.2358       31.80773 ?        ?        43.73527 7.711827 ?              ?        
1 1 1 9   25 40 o 64.03448 5.756094 215.2138       35.69386 0.000000       0.000000 215.2138       35.69386 ?        ?        64.03448 5.756094 ?              ?        
1 1 1 9   25 41 o 18.30339 7.986685 1.938577       26.97869 0.000000       0.000000 1.938577       26.97869 ?        ?        18.30339 7.986685 ?              ?        
1 1 1 9   25 42 o 49.99032 6.681682 136.0327       31.87677 0.000000       0.000000 136.0327       31.87677 ?        ?        49.99032 6.681682 ?              ?        
1 1 1 9   25 43 o 13.45306 6.492754 -33.17117      25.69626 0.000000       0.000000 -33.17117      25.69626 ?        ?        13.45306 6.492754 ?              ?        
1 1 1 9   25 44 o 44.80500 7.166260 111.5018       30.37001 0.000000       0.000000 111.5018       30.37001 ?        ?        44.80500 7.166260 ?              ?        
1 1 1 9   25 45 o 46.13449 7.058147 118.0814       30.86119 0.000000       0.000000 118.0814       30.86119 ?        ?        46.13449 7.058147 ?              ?        
1 1 1 9   25 46 o 18.11665 8.206835 -6.386000      31.33875 0.000000       0.000000 -6.386000      31.33875 ?        ?        18.11665 8.206835 ?              ?        
1 1 1 9   25 47 o 17.83925 8.680182 -57.83000      48.40736 0.000000       0.000000 -57.83000      48.40736 ?        ?        17.83925 8.680182 ?              ?        
1 1 1 9   25 48 o 32.39373 8.844984 63.70053       28.82841 0.000000       0.000000 63.70053       28.82841 ?        ?        32.39373 8.844984 ?              ?        
1 1 1 9   25 49 o 43.43223 7.385339 106.8463       30.27414 0.000000       0.000000 106.8463       30.27414 ?        ?        43.43223 7.385339 ?              ?        
1 1 1 9   25 50 o 16.90980 7.802004 -11.94000      30.08434 0.000000       0.000000 -11.94000      30.08434 ?        ?        16.90980 7.802004 ?              ?        
1 1 1 9   25 51 o 23.75889 9.249729 30.89000       30.94043 0.000000       0.000000 30.89000       30.94043 ?        ?        23.75889 9.249729 ?              ?        
1 1 1 9   25 52 o 16.31363 7.530694 -10.66000      28.07876 0.000000       0.000000 -10.66000      28.07876 ?        ?        16.31363 7.530694 ?              ?        
1 1 1 9   26 0  o 150.3389 3.605242 1110.362       53.05326 1106.000       112.4448 1111.611       60.17176 148.8390 7.744848 150.2863 4.094226 -1.447296      8.760443 
1 1 1 9   26 1  o 127.6603 3.864564 801.8237       48.23501 871.2000       94.61320 777.4598       56.06861 132.1849 7.341297 125.5722 4.569248 6.612724       8.647120 
1 1 1 9   26 2  o 181.8518 5.749614 1635.904       102.2154 1538.000       143.7610 1736.000       145.3611 175.2611 8.404597 186.4261 7.984400 -11.16504      11.59258 
1 1 1 9   26 3  o 84.17424 3.339282 348.4629       27.45844 276.3000       63.05518 365.3495       30.50244 73.76953 8.912950 86.15589 3.625058 -12.38636      9.621939 
1 1 1 9   26 4  o 74.80795 3.416474 275.4255       24.95078 212.3000       58.85179 289.2581       27.54919 64.31055 9.646316 76.63314 3.683490 -12.32259      10.32567 
1 1 1 9   26 5  o 175.1230 5.750475 1517.966       98.43822 1738.000       150.6444 1354.000       130.0421 186.2951 8.281944 164.4706 8.102676 21.82448       11.58637 
1 1 1 9   26 6  o 183.9470 4.724148 1668.962       84.98901 1768.000       155.6933 1626.925       101.4350 187.7206 8.495301 181.2848 5.723537 6.435776       10.24349 
1 1 1 9   26 7  o 67.40392 3.535469 223.8877       23.24434 251.7000       58.95811 218.7691       25.29301 70.32243 8.754340 66.57733 3.898273 3.745102       9.583058 
1 1 1 9   26 8  o 71.78762 3.406616 253.7977       23.86921 261.5000       61.04247 252.4074       25.93410 71.61528 8.899464 71.54803 3.715849 0.6725311E-01  9.644065 
1 1 1 9   26 9  o 81.91399 3.300095 330.2191       26.40588 347.6000       64.54359 326.7251       28.93853 82.94308 8.051153 81.42994 3.639864 1.513145       8.835705 
1 1 1 9   26 10 o 76.53165 3.305781 288.3751       24.70563 333.2000       62.97202 280.2205       26.85904 81.15530 8.032545 75.39010 3.650587 5.765198       8.823184 
1 1 1 9   26 11 o 54.37881 3.844379 146.2952       20.33076 108.3000       55.65167 152.1470       21.84033 44.93621 12.29724 55.42830 4.053541 -10.49210      12.94810 
1 1 1 9   26 12 o 35.25315 5.194714 62.78727       17.38859 -6.747000      52.29633 71.43032       18.43764 25.34044 11.08712 37.65887 5.135531 -12.31844      12.21876 
1 1 1 9   26 13 o 163.9189 5.473918 1334.052       87.70492 1448.000       132.0052 1244.000       117.3509 169.4400 7.981629 157.2174 7.648654 12.22260       11.05479 
1 1 1 9   26 14 o 43.26401 5.407785 94.25318       22.40213 0.000000       0.000000 94.25318       22.40213 ?        ?        43.26401 5.407785 ?              ?        
1 1 1 9   26 15 o 22.48096 6.481679 25.83348       15.04421 0.000000       0.000000 25.83348       15.04421 ?        ?        22.48096 6.481679 ?              ?        
1 1 1 9   26 16 f 81.59647 3.449627 328.4773       27.48962 0.000000       0.000000 328.4773       27.48962 ?        ?        81.59647 3.449627 ?              ?        
1 1 1 9   26 17 o 22.76265 5.970424 26.80971       13.46483 -40.79000      45.52103 33.29137       14.09558 19.90735 9.323036 25.34904 5.805989 -5.441689      10.98310 
1 1 1 9   26 18 o 70.03334 4.413244 243.8201       30.09921 234.5000       55.15984 247.7720       35.91797 67.26190 8.572685 70.37634 5.251964 -3.114433      10.05356 
1 1 1 9   26 19 o 16.33973 5.992778 10.87215       12.54470 1.275000       42.49042 11.78856       13.12998 23.56598 10.15346 16.84965 6.138658 6.716328       11.86490 
1 1 1 9   26 20 o 20.80601 6.298579 21.96250       13.92460 35.46000       41.82330 20.27980       14.76709 28.85646 10.87266 20.28386 6.539680 8.572598       12.68787 
1 1 1 9   26 21 o 71.43213 3.336336 252.2713       23.26313 241.7000       50.64368 255.0983       26.18967 68.45198 7.691372 71.73914 3.742589 -3.287163      8.553606 
1 1 1 9   26 22 o 64.30344 3.451500 204.7860       21.64482 243.9000       47.93990 194.7710       24.25811 68.90328 7.214903 62.58413 3.980550 6.319157       8.240122 
1 1 1 9   26 23 o 141.1138 4.093773 988.5175       56.48592 1082.000       99.61124 944.2094       68.57802 145.6887 7.005690 137.3731 5.108983 8.315643       8.670720 
1 1 1 9   26 24 o 37.59920 4.687918 71.49647       16.87925 137.8000       34.33417 50.36442       19.38336 51.60247 6.976020 30.96865 6.596581 20.63382       9.601027 
1 1 1 9   26 25 o 41.08410 4.285049 84.79784       16.97900 103.8000       28.35720 74.17823       21.19903 44.75714 6.676769 37.95095 5.898188 6.806187       8.908864 
1 1 1 9   26 26 o 162.3430 5.785549 1331.627       91.78876 0.000000       0.000000 1331.627       91.78876 ?        ?        162.3430 5.785549 ?              ?        
1 1 1 9   26 27 o 78.67834 5.712793 314.1637       43.69596 0.000000       0.000000 314.1637       43.69596 ?        ?        78.67834 5.712793 ?              ?        
1 1 1 9   26 28 o 35.99448 9.294503 71.60236       32.97273 0.000000       0.000000 71.60236       32.97273 ?        ?        35.99448 9.294503 ?              ?        
1 1 1 9   26 29 o 27.56270 9.659124 38.76682       32.18700 0.000000       0.000000 38.76682       32.18700 ?        ?        27.56270 9.659124 ?              ?        
1 1 1 9   26 30 o 43.64795 8.212313 103.6297       33.79881 0.000000       0.000000 103.6297       33.79881 ?        ?        43.64795 8.212313 ?              ?        
1 1 1 9   26 31 o 88.23566 5.404772 397.5693       46.45571 0.000000       0.000000 397.5693       46.45571 ?        ?        88.23566 5.404772 ?              ?        
1 1 1 9   26 32 o 88.33427 5.411095 399.9112       46.56201 0.000000       0.000000 399.9112       46.56201 ?        ?        88.33427 5.411095 ?              ?        
1 1 1 9   26 33 o 34.30423 9.201653 67.50993       31.53293 0.000000       0.000000 67.50993       31.53293 ?        ?        34.30423 9.201653 ?              ?        
1 1 1 9   26 34 o 30.06474 10.20529 51.57000       35.82592 0.000000       0.000000 51.57000       35.82592 ?        ?        30.06474 10.20529 ?              ?        
1 1 1 9   26 35 o 35.62645 9.108864 73.38940       31.88410 0.000000       0.000000 73.38940       31.88410 ?        ?        35.62645 9.108864 ?              ?        
1 1 1 9   26 36 o 26.67801 11.68625 15.94000       58.25423 0.000000       0.000000 15.94000       58.25423 ?        ?        26.67801 11.68625 ?              ?        
1 1 1 9   26 37 o 53.70483 6.943515 155.5685       35.64708 0.000000       0.000000 155.5685       35.64708 ?        ?        53.70483 6.943515 ?              ?        
1 1 1 9   26 38 o 25.72726 9.255874 35.73220       29.72986 0.000000       0.000000 35.73220       29.72986 ?        ?        25.72726 9.255874 ?              ?        
1 1 1 9   26 39 o 36.69569 8.620549 78.07028       30.43447 0.000000       0.000000 78.07028       30.43447 ?        ?        36.69569 8.620549 ?              ?        
1 1 1 9   26 40 o 22.20280 8.857975 20.94920       28.99988 0.000000       0.000000 20.94920       28.99988 ?        ?        22.20280 8.857975 ?              ?        
1 1 1 9   26 41 o 24.52933 9.079275 32.26149       28.90534 0.000000       0.000000 32.26149       28.90534 ?        ?        24.52933 9.079275 ?              ?        
1 1 1 9   26 42 o 40.69536 7.873887 94.72773       30.23054 0.000000       0.000000 94.72773       30.23054 ?        ?        40.69536 7.873887 ?              ?        
1 1 1 9   26 43 o 60.24162 5.989819 193.7377       34.85225 0.000000       0.000000 193.7377       34.85225 ?        ?        60.24162 5.989819 ?              ?        
1 1 1 9   26 44 o 38.02732 8.249890 84.40924       29.82314 0.000000       0.000000 84.40924       29.82314 ?        ?        38.02732 8.249890 ?              ?        
1 1 1 9   26 45 o 29.03002 9.852308 51.88000       33.39036 0.000000       0.000000 51.88000       33.39036 ?        ?        29.03002 9.852308 ?              ?        
1 1 1 9   26 46 o 18.46972 8.931129 -50.29000      49.20254 0.000000       0.000000 -50.29000      49.20254 ?        ?        18.46972 8.931129 ?              ?        
1 1 1 9   26 47 o 21.88598 8.635307 22.42413       27.27247 0.000000       0.000000 22.42413       27.27247 ?        ?        21.88598 8.635307 ?              ?        
1 1 1 9   26 48 o 29.73893 8.861629 53.83690       27.72464 0.000000       0.000000 53.83690       27.72464 ?        ?        29.73893 8.861629 ?              ?        
1 1 1 9   26 49 o 25.15602 9.433690 36.47000       31.40492 0.000000       0.000000 36.47000       31.40492 ?        ?        25.15602 9.433690 ?              ?        
1 1 1 9   26 50 o 21.38920 8.804919 19.52000       29.70296 0.000000       0.000000 19.52000       29.70296 ?        ?        21.38920 8.804919 ?              ?        
1 1 1 9   26 51 o 21.06717 8.795274 17.91000       30.22522 0.000000       0.000000 17.91000       30.22522 ?        ?        21.06717 8.795274 ?              ?        
1 1 1 9   27 0  o 113.8133 3.770813 637.9723       41.95020 605.9000       80.49985 649.9292       49.15180 109.8813 7.530053 114.7498 4.384106 -4.868423      8.713327 
1 1 1 9   27 1  o 120.9064 3.802470 719.9721       44.94498 777.2000       89.10708 700.4446       52.05132 124.5771 7.340011 119.1100 4.472492 5.467110       8.595286 
1 1 1 9   27 2  o 131.2249 3.419312 847.0152       43.88247 959.8000       99.68787 819.9076       48.87231 138.4534 7.382535 129.0145 3.874455 9.438904       8.337459 
1 1 1 9   27 3  o 108.6989 3.278516 581.1350       34.84273 703.7000       82.77779 554.7441       38.41119 118.5611 7.166350 106.1270 3.703323 12.43405       8.066670 
1 1 1 9   27 4  o 128.7385 4.034039 817.0120       50.77131 839.9000       94.10020 807.6130       60.30157 129.4182 7.459901 127.7962 4.829326 1.622032       8.886648 
1 1 1 9   27 5  o 88.54371 3.354943 385.9565       29.02437 416.6000       69.20261 379.4156       31.97234 90.84222 7.859919 87.72815 3.731835 3.114067       8.700857 
1 1 1 9   27 6  o 119.7731 3.934083 707.2711       46.05952 894.5000       94.49892 648.9326       52.74950 133.5821 7.254464 114.5369 4.715161 19.04520       8.652166 
1 1 1 9   27 7  o 52.55456 4.029529 136.8795       20.57054 91.88000       55.90826 143.9251       22.12238 41.63258 12.62455 53.86444 4.229792 -12.23186      13.31429 
1 1 1 9   27 8  o 51.85056 4.015176 133.2749       20.21945 139.4000       55.43220 132.3349       21.71562 51.04268 11.38476 51.61128 4.338674 -0.5686035     12.18347 
1 1 1 9   27 9  o 119.1481 3.372383 698.8983       39.29101 720.7000       87.13491 693.3340       44.02041 119.6348 7.478355 118.5790 3.797522 1.055740       8.387310 
1 1 1 9   27 10 o 55.34431 3.841128 151.6572       20.67925 144.2000       56.08352 152.8306       22.24677 51.82988 11.36821 55.51047 4.123815 -3.680592      12.09306 
1 1 1 9   27 11 o 118.1713 3.821072 689.0643       44.14000 601.4000       83.03030 723.5993       52.11412 108.9577 7.837614 120.9369 4.409791 -11.97920      8.993022 
1 1 1 9   27 12 o 16.61889 6.532737 8.220495       15.55715 36.38000       51.28341 5.366470       16.32651 30.88217 11.93995 16.14686 6.573430 14.73531       13.62983 
1 1 1 9   27 13 o 12.23294 5.568942 -8.881548      14.65118 -7.456000      49.90866 -9.015984      15.32646 24.49979 10.77178 12.55574 5.708063 11.94405       12.19070 
1 1 1 9   27 14 o 51.76797 3.848645 132.9729       19.36230 102.4000       55.70498 137.1741       20.64987 43.23655 12.47438 52.54665 4.045952 -9.310104      13.11411 
1 1 1 9   27 15 o 116.2360 4.390517 669.8434       49.86334 0.000000       0.000000 669.8434       49.86334 ?        ?        116.2360 4.390517 ?              ?        
1 1 1 9   27 16 o 62.24844 3.802205 192.1029       23.05651 0.000000       0.000000 192.1029       23.05651 ?        ?        62.24844 3.802205 ?              ?        
1 1 1 9   27 17 f 36.01181 4.400807 65.21482       15.19065 139.1000       48.96314 57.34573       15.97912 50.79334 10.20276 33.59782 5.011950 17.19553       11.36732 
1 1 1 9   27 18 o 34.78223 7.258540 63.49113       23.91225 -3.308000      46.24165 87.87388       27.93761 23.85326 10.43126 41.08981 7.209002 -17.23655      12.67994 
1 1 1 9   27 19 o 77.04930 4.838248 296.6670       36.30489 357.2000       57.74515 257.1000       46.68594 83.60950 7.123701 70.98461 6.802307 12.62489       9.849796 
1 1 1 9   27 20 o 80.73056 3.198013 322.0050       25.22112 376.7000       57.21023 308.8108       28.09899 85.92815 6.858821 78.94481 3.646158 6.983337       7.767746 
1 1 1 9   27 21 o 72.96709 3.767873 264.2631       26.81983 241.6000       49.77002 273.5373       31.83796 68.32655 7.568463 74.04982 4.412543 -5.723274      8.760832 
1 1 1 9   27 22 o 20.55234 6.668120 20.96548       15.33802 5.222000       33.81440 25.04376       17.21036 21.64780 9.184669 22.24174 7.048337 -0.5939407     11.57744 
1 1 1 9   27 23 o 98.16123 3.215158 476.3761       30.85050 479.0000       57.91063 475.3364       36.45391 97.16455 6.120066 97.85424 3.813207 -0.6896896     7.210808 
1 1 1 9   27 24 o 46.09253 3.805681 106.0603       17.01709 114.7000       29.74212 101.8555       20.74886 47.05268 6.642297 44.90472 4.794685 2.147953       8.192016 
1 1 1 9   27 25 o 29.62790 4.633996 44.84308       12.99886 45.17000       19.18517 44.56563       17.67400 29.16853 6.839063 29.07449 6.385436 0.9403610E-01  9.356632 
1 1 1 9   27 26 o 106.2151 5.329446 569.5628       55.23125 0.000000       0.000000 569.5628       55.23125 ?        ?        106.2151 5.329446 ?              ?        
1 1 1 9   27 27 o 69.51859 5.936525 247.4419       40.00991 0.000000       0.000000 247.4419       40.00991 ?        ?        69.51859 5.936525 ?              ?        
1 1 1 9   27 28 o 95.78226 5.338229 465.8636       49.85021 0.000000       0.000000 465.8636       49.85021 ?        ?        95.78226 5.338229 ?              ?        
1 1 1 9   27 29 o 42.82565 8.539755 101.0567       34.54143 0.000000       0.000000 101.0567       34.54143 ?        ?        42.82565 8.539755 ?              ?        
1 1 1 9   27 30 o 26.10436 9.663848 33.57943       32.74974 0.000000       0.000000 33.57943       32.74974 ?        ?        26.10436 9.663848 ?              ?        
1 1 1 9   27 31 o 68.54006 6.236167 245.3396       41.38013 0.000000       0.000000 245.3396       41.38013 ?        ?        68.54006 6.236167 ?              ?        
1 1 1 9   27 32 o 34.23994 9.338823 67.70522       32.15794 0.000000       0.000000 67.70522       32.15794 ?        ?        34.23994 9.338823 ?              ?        
1 1 1 9   27 33 o 66.04980 7.480395 235.8000       47.51141 0.000000       0.000000 235.8000       47.51141 ?        ?        66.04980 7.480395 ?              ?        
1 1 1 9   27 34 o 69.55717 5.881029 252.6508       39.66582 0.000000       0.000000 252.6508       39.66582 ?        ?        69.55717 5.881029 ?              ?        
1 1 1 9   27 35 o 30.06007 12.58470 42.02000       62.13938 0.000000       0.000000 42.02000       62.13938 ?        ?        30.06007 12.58470 ?              ?        
1 1 1 9   27 36 o 17.16087 7.821541 -10.92605      29.00886 0.000000       0.000000 -10.92605      29.00886 ?        ?        17.16087 7.821541 ?              ?        
1 1 1 9   27 37 o 25.22390 9.331254 33.44954       30.52460 0.000000       0.000000 33.44954       30.52460 ?        ?        25.22390 9.331254 ?              ?        
1 1 1 9   27 38 o 22.47551 8.867635 22.08451       28.75890 0.000000       0.000000 22.08451       28.75890 ?        ?        22.47551 8.867635 ?              ?        
1 1 1 9   27 39 o 16.55779 7.607390 -12.53488      28.18033 0.000000       0.000000 -12.53488      28.18033 ?        ?        16.55779 7.607390 ?              ?        
1 1 1 9   27 40 f 24.94055 9.062120 34.26039       28.58727 0.000000       0.000000 34.26039       28.58727 ?        ?        24.94055 9.062120 ?              ?        
1 1 1 9   27 41 f 47.11809 7.459704 124.6739       33.26013 0.000000       0.000000 124.6739       33.26013 ?        ?        47.11809 7.459704 ?              ?        
1 1 1 9   27 42 o 31.31196 9.215318 59.58117       30.13314 0.000000       0.000000 59.58117       30.13314 ?        ?        31.31196 9.215318 ?              ?        
1 1 1 9   27 43 o 31.77864 8.919690 61.07826       28.87320 0.000000       0.000000 61.07826       28.87320 ?        ?        31.77864 8.919690 ?              ?        
1 1 1 9   27 44 o 18.87113 8.090211 7.052826       26.72317 0.000000       0.000000 7.052826       26.72317 ?        ?        18.87113 8.090211 ?              ?        
1 1 1 9   27 45 f 42.73486 12.64175 131.2000       56.58692 0.000000       0.000000 131.2000       56.58692 ?        ?        42.73486 12.64175 ?              ?        
1 1 1 9   27 46 o 22.89883 8.743763 27.15846       27.26640 0.000000       0.000000 27.15846       27.26640 ?        ?        22.89883 8.743763 ?              ?        
1 1 1 9   27 47 o 19.83195 8.200813 13.73651       25.92303 0.000000       0.000000 13.73651       25.92303 ?        ?        19.83195 8.200813 ?              ?        
1 1 1 9   27 48 o 21.18085 8.868514 16.53000       30.86496 0.000000       0.000000 16.53000       30.86496 ?        ?        21.18085 8.868514 ?              ?        
1 1 1 9   27 49 o 38.70149 9.060340 93.24000       33.71321 0.000000       0.000000 93.24000       33.71321 ?        ?        38.70149 9.060340 ?              ?        
1 1 1 9   27 50 f 19.08909 8.279007 7.940000       28.62244 0.000000       0.000000 7.940000       28.62244 ?        ?        19.08909 8.279007 ?              ?        
1 1 1 9   28 0  o 82.99871 3.819757 340.1180       30.94905 363.8000       63.78763 332.8266       35.39423 84.71687 7.779146 81.97923 4.427278 2.737648       8.950748 
1 1 1 9   28 1  o 108.3389 3.972880 579.3982       42.05910 576.2000       77.30164 580.7431       50.12846 106.9072 7.433424 108.2688 4.741646 -1.361610      8.816973 
1 1 1 9   28 2  o 55.59562 6.867365 156.7682       36.57759 178.0000       54.44350 139.3000       49.38301 58.29121 9.895400 51.32316 10.18962 6.968052       14.20378 
1 1 1 9   28 3  o 92.28515 4.033848 420.7989       36.35023 373.4000       67.33783 440.2913       43.18252 85.67236 8.127130 94.24564 4.695811 -8.573273      9.386207 
1 1 1 9   28 4  o 100.5310 3.999437 499.1988       39.27694 467.9000       73.94457 511.5000       46.35723 96.03606 7.937020 101.5950 4.674165 -5.558960      9.211085 
1 1 1 9   28 5  o 58.00312 4.741377 167.5428       26.68451 227.2000       58.46596 151.8456       29.99038 66.19257 9.278196 54.99607 5.651474 11.19650       10.86389 
1 1 1 9   28 6  o 106.7966 3.322047 561.8375       34.68496 563.5000       77.91003 561.4265       38.73532 105.5321 7.593039 106.6711 3.715504 -1.139030      8.453355 
1 1 1 9   28 7  o 22.82628 8.024994 23.57925       22.22947 -14.87000      51.87812 32.22651       24.60252 24.19509 10.79135 25.64803 8.452841 -1.452940      13.70780 
1 1 1 9   28 8  o 140.6679 3.532243 975.4135       48.59686 1126.000       110.5132 939.3141       54.10918 149.2504 7.589628 137.8949 4.013090 11.35553       8.585299 
1 1 1 9   28 9  o 43.00158 4.556194 92.50857       18.88612 106.7000       54.52799 90.57405       20.13224 44.18603 12.20448 42.46469 4.935323 1.721340       13.16461 
1 1 1 9   28 10 o 53.68987 3.953910 143.0788       20.63327 91.60000       56.14262 151.1178       22.18590 41.12639 12.68581 55.14898 4.140143 -14.02259      13.34431 
1 1 1 9   28 11 o 17.28722 6.708544 9.819524       16.23441 -67.84000      50.67882 18.70002       17.13751 19.23579 9.241403 20.24507 7.051270 -1.009279      11.62428 
1 1 1 9   28 12 o 118.3310 3.899294 692.5090       45.10215 845.6000       91.98436 644.0536       51.74994 129.1277 7.307423 113.8588 4.653215 15.26897       8.663189 
1 1 1 9   28 13 o 15.53240 6.385329 4.318227       15.59376 -31.50000      51.11401 7.994040       16.37437 22.16292 10.20552 16.80597 6.672018 5.356951       12.19297 
1 1 1 9   28 14 o 22.90442 6.666570 27.02266       15.84595 4.534000       52.13527 29.31159       16.63282 26.21334 11.26996 23.79307 6.801349 2.420269       13.16322 
1 1 1 9   28 15 o 84.08057 3.651685 349.8830       29.98185 0.000000       0.000000 349.8830       29.98185 ?        ?        84.08057 3.651685 ?              ?        
1 1 1 9   28 16 o 117.4390 3.823050 682.9536       43.88837 0.000000       0.000000 682.9536       43.88837 ?        ?        117.4390 3.823050 ?              ?        
1 1 1 9   28 17 o 57.17090 4.364777 163.1927       24.24084 157.4000       50.80693 164.9000       27.58277 54.00687 9.978463 57.30588 4.966344 -3.299007      11.14604 
1 1 1 9   28 18 o 93.48895 4.768320 436.6292       43.49056 361.1000       61.06011 514.4000       61.95964 83.71952 7.531597 100.7415 6.315164 -17.02196      9.828847 
1 1 1 9   28 19 o 74.26572 4.308321 274.9770       31.18417 387.4000       56.47481 225.6633       37.40339 87.14254 6.671652 66.75213 5.781472 20.39041       8.828157 
1 1 1 9   28 20 f 79.83419 3.728056 316.3684       29.05203 340.8000       53.75782 306.2892       34.52851 81.57322 6.794311 78.28971 4.525029 3.283508       8.163244 
1 1 1 9   28 21 o 77.36249 3.628362 296.9915       27.39906 304.9000       49.10723 293.4167       33.01572 77.21007 6.559828 76.64083 4.419777 0.5692368      7.909853 
1 1 1 9   28 22 o 60.12585 3.392063 179.3910       19.88229 212.8000       39.37160 167.9547       23.03525 64.46674 6.320521 57.99128 4.084232 6.475452       7.525287 
1 1 1 9   28 23 o 63.00477 3.258720 196.8288       20.02850 236.9000       36.88800 180.0775       23.85020 68.32822 5.563530 60.03272 4.083103 8.295498       6.901058 
1 1 1 9   28 24 o 28.73415 6.159492 43.45526       16.80354 0.000000       0.000000 43.45526       16.80354 ?        ?        28.73415 6.159492 ?              ?        
1 1 1 9   28 25 o 65.98911 6.242558 224.0559       39.84257 0.000000       0.000000 224.0559       39.84257 ?        ?        65.98911 6.242558 ?              ?        
1 1 1 9   28 26 o 82.45767 5.629171 346.8500       45.16161 0.000000       0.000000 346.8500       45.16161 ?        ?        82.45767 5.629171 ?              ?        
1 1 1 9   28 27 o 58.17226 6.791105 177.4929       37.94236 0.000000       0.000000 177.4929       37.94236 ?        ?        58.17226 6.791105 ?              ?        
1 1 1 9   28 28 o 29.42775 9.890425 47.68183       33.64800 0.000000       0.000000 47.68183       33.64800 ?        ?        29.42775 9.890425 ?              ?        
1 1 1 9   28 29 f 43.07042 8.727681 103.9772       35.53267 0.000000       0.000000 103.9772       35.53267 ?        ?        43.07042 8.727681 ?              ?        
1 1 1 9   28 30 o 64.75229 6.314053 219.8265       39.51152 0.000000       0.000000 219.8265       39.51152 ?        ?        64.75229 6.314053 ?              ?        
1 1 1 9   28 31 o 93.01719 5.429620 445.5641       49.22056 0.000000       0.000000 445.5641       49.22056 ?        ?        93.01719 5.429620 ?              ?        
1 1 1 9   28 32 o 32.10188 10.26674 60.94000       36.44746 0.000000       0.000000 60.94000       36.44746 ?        ?        32.10188 10.26674 ?              ?        
1 1 1 9   28 33 o 42.56037 8.202669 101.5890       32.93273 0.000000       0.000000 101.5890       32.93273 ?        ?        42.56037 8.202669 ?              ?        
1 1 1 9   28 34 o 27.29331 11.87187 21.93000       59.21254 0.000000       0.000000 21.93000       59.21254 ?        ?        27.29331 11.87187 ?              ?        
1 1 1 9   28 35 o 50.96092 7.158972 141.6501       34.72706 0.000000       0.000000 141.6501       34.72706 ?        ?        50.96092 7.158972 ?              ?        
1 1 1 9   28 36 o 55.47182 6.533705 165.3088       34.79660 0.000000       0.000000 165.3088       34.79660 ?        ?        55.47182 6.533705 ?              ?        
1 1 1 9   28 37 o 25.49551 9.091769 35.81678       28.61748 0.000000       0.000000 35.81678       28.61748 ?        ?        25.49551 9.091769 ?              ?        
1 1 1 9   28 38 o 18.79415 8.215243 2.693952       28.65375 0.000000       0.000000 2.693952       28.65375 ?        ?        18.79415 8.215243 ?              ?        
1 1 1 9   28 39 o 19.78060 8.362438 10.10500       27.86390 0.000000       0.000000 10.10500       27.86390 ?        ?        19.78060 8.362438 ?              ?        
1 1 1 9   28 40 o 13.39475 6.499644 -37.28797      26.64477 0.000000       0.000000 -37.28797      26.64477 ?        ?        13.39475 6.499644 ?              ?        
1 1 1 9   28 41 o 20.49593 8.471352 14.54493       27.64372 0.000000       0.000000 14.54493       27.64372 ?        ?        20.49593 8.471352 ?              ?        
1 1 1 9   28 42 o 26.83460 9.797289 42.30000       33.47072 0.000000       0.000000 42.30000       33.47072 ?        ?        26.83460 9.797289 ?              ?        
1 1 1 9   28 43 o 16.09828 7.379174 -10.37727      26.30680 0.000000       0.000000 -10.37727      26.30680 ?        ?        16.09828 7.379174 ?              ?        
1 1 1 9   28 44 o 22.95971 10.43273 1.663000       51.12025 0.000000       0.000000 1.663000       51.12025 ?        ?        22.95971 10.43273 ?              ?        
1 1 1 9   28 45 o 41.51884 7.875781 99.85155       30.83628 0.000000       0.000000 99.85155       30.83628 ?        ?        41.51884 7.875781 ?              ?        
1 1 1 9   28 46 o 18.05584 7.858045 3.959033       25.97143 0.000000       0.000000 3.959033       25.97143 ?        ?        18.05584 7.858045 ?              ?        
1 1 1 9   28 47 o 13.76670 6.704640 -40.87000      29.06120 0.000000       0.000000 -40.87000      29.06120 ?        ?        13.76670 6.704640 ?              ?        
1 1 1 9   28 48 o 26.92962 9.477966 45.45000       31.01379 0.000000       0.000000 45.45000       31.01379 ?        ?        26.92962 9.477966 ?              ?        
1 1 1 9   28 49 o 21.49814 8.819261 20.90000       29.66706 0.000000       0.000000 20.90000       29.66706 ?        ?        21.49814 8.819261 ?              ?        
1 1 1 9   29 0  o 69.81811 3.462508 240.7490       23.58891 194.6000       58.03175 249.8833       25.81809 60.65771 10.13109 71.08363 3.723620 -10.42592      10.79372 
1 1 1 9   29 1  o 36.45393 9.280015 70.71416       33.19373 74.97000       50.78508 67.54000       43.85890 37.70231 12.12511 35.82669 11.23834 1.875622       16.53235 
1 1 1 9   29 2  o 108.1609 5.109764 582.2703       53.94459 631.0000       80.52698 542.6000       72.65693 111.5967 7.414013 103.5468 7.213707 8.049927       10.34433 
1 1 1 9   29 3  o 91.49065 3.309493 412.7741       29.58886 407.1000       69.46101 414.0320       32.70450 89.24043 8.037993 91.55420 3.656770 -2.313766      8.830702 
1 1 1 9   29 4  o 41.17838 4.872104 85.25811       19.25781 43.72000       52.99898 91.57672       20.67069 32.17793 12.21335 42.65641 5.048413 -10.47848      13.21562 
1 1 1 9   29 5  o 72.40092 3.505904 259.0197       24.77180 236.2000       61.56444 263.4280       27.05892 67.06146 9.656891 72.95484 3.802346 -5.893379      10.37851 
1 1 1 9   29 6  o 46.34491 4.491436 107.3678       20.11969 158.7000       55.48817 99.59731       21.58887 54.23579 10.83160 44.49602 5.045786 9.739765       11.94920 
1 1 1 9   29 7  o 57.79730 3.888648 165.7651       21.87144 201.5000       57.50787 159.7221       23.64852 61.68551 9.855968 56.64279 4.297402 5.042721       10.75211 
1 1 1 9   29 8  o 34.45362 5.712696 60.79741       18.59109 84.62000       53.42923 57.51579       19.83028 39.46475 12.40747 33.34154 6.307232 6.123215       13.91857 
1 1 1 9   29 9  o 35.15350 5.489630 63.07875       18.27222 47.88000       52.90486 65.13731       19.47036 32.64626 12.24387 35.66085 5.775321 -3.014587      13.53760 
1 1 1 9   29 10 o 29.98821 6.230151 46.76277       17.68940 62.58000       52.41884 44.72999       18.79175 35.11690 12.32501 29.22494 6.710934 5.891964       14.03362 
1 1 1 9   29 11 o 28.31131 6.350861 41.85551       17.16507 -1.557000      51.93752 47.17875       18.18703 25.40254 11.08298 30.08401 6.374569 -4.681477      12.78544 
1 1 1 9   29 12 o 94.03162 3.355141 436.8212       30.83148 439.5000       71.29876 436.2051       34.19378 92.36141 7.964232 93.86216 3.729200 -1.500748      8.794085 
1 1 1 9   29 13 o 67.53498 3.537205 225.9204       23.30122 299.8000       61.60693 213.5874       25.17107 75.87037 8.438258 65.56557 3.940291 10.30480       9.312900 
1 1 1 9   29 14 o 93.99138 3.254820 436.4293       29.89960 451.3000       66.99007 432.7300       33.41226 93.82780 7.352808 93.47720 3.658756 0.3506088      8.212812 
1 1 1 9   29 15 o 15.80631 6.336126 6.556199       14.91001 18.98000       42.88198 4.847681       15.90221 26.02993 10.63198 15.74446 6.457676 10.28547       12.43947 
1 1 1 9   29 16 o 65.89743 4.102042 216.3130       26.32788 0.000000       0.000000 216.3130       26.32788 ?        ?        65.89743 4.102042 ?              ?        
1 1 1 9   29 17 o 82.84367 3.650006 340.4091       29.52513 0.000000       0.000000 340.4091       29.52513 ?        ?        82.84367 3.650006 ?              ?        
1 1 1 9   29 18 o 35.65580 7.413227 67.40691       25.02801 125.6000       43.33572 38.28201       30.65791 48.05594 9.549397 27.59558 9.439138 20.46036       13.42715 
1 1 1 9   29 19 o 103.0598 6.668725 543.0000       66.91145 543.0000       66.91145 0.000000       0.000000 103.0598 6.668725 ?        ?        ?              ?        
1 1 1 9   29 20 o 19.81316 6.077831 20.01159       12.90890 25.44000       34.07025 19.10167       13.94891 25.19716 9.734667 19.60267 6.358925 5.594490       11.62754 
1 1 1 9   29 21 f 69.44266 3.177888 238.8969       21.54361 280.3000       43.48252 225.4269       24.80171 74.10446 6.047185 67.28260 3.781148 6.821861       7.132007 
1 1 1 9   29 22 o 119.5841 3.316317 708.4738       38.78075 699.7000       71.55762 712.1224       46.14505 117.0340 6.269392 119.5905 3.947462 -2.556450      7.408626 
1 1 1 9   29 23 o 71.27503 4.073540 254.0479       28.30110 327.6000       40.83467 186.0611       39.25939 80.43975 5.214332 59.78214 6.831637 20.65761       8.594214 
1 1 1 9   29 24 o 107.2510 3.839563 573.7015       40.24279 0.000000       0.000000 573.7015       40.24279 ?        ?        107.2510 3.839563 ?              ?        
1 1 1 9   29 25 f 48.18098 7.819245 124.9857       35.61321 0.000000       0.000000 124.9857       35.61321 ?        ?        48.18098 7.819245 ?              ?        
1 1 1 9   29 26 o 55.46274 7.096465 163.1483       37.64416 0.000000       0.000000 163.1483       37.64416 ?        ?        55.46274 7.096465 ?              ?        
1 1 1 9   29 27 o 48.63858 7.965184 129.2537       36.60986 0.000000       0.000000 129.2537       36.60986 ?        ?        48.63858 7.965184 ?              ?        
1 1 1 9   29 28 o 47.84550 7.906458 125.3974       35.73574 0.000000       0.000000 125.3974       35.73574 ?        ?        47.84550 7.906458 ?              ?        
1 1 1 9   29 29 o 59.79291 6.615000 189.3808       38.06890 0.000000       0.000000 189.3808       38.06890 ?        ?        59.79291 6.615000 ?              ?        
1 1 1 9   29 30 o 20.56940 8.984703 2.616000       34.21852 0.000000       0.000000 2.616000       34.21852 ?        ?        20.56940 8.984703 ?              ?        
1 1 1 9   29 31 o 42.08841 9.715398 104.3000       39.21398 0.000000       0.000000 104.3000       39.21398 ?        ?        42.08841 9.715398 ?              ?        
1 1 1 9   29 32 o 42.58283 8.613050 103.2586       34.66543 0.000000       0.000000 103.2586       34.66543 ?        ?        42.58283 8.613050 ?              ?        
1 1 1 9   29 33 o 39.91806 13.97956 113.2000       67.41331 0.000000       0.000000 113.2000       67.41331 ?        ?        39.91806 13.97956 ?              ?        
1 1 1 9   29 34 o 41.45335 8.481249 98.46381       33.25230 0.000000       0.000000 98.46381       33.25230 ?        ?        41.45335 8.481249 ?              ?        
1 1 1 9   29 35 o 88.62228 5.290891 407.9601       45.68739 0.000000       0.000000 407.9601       45.68739 ?        ?        88.62228 5.290891 ?              ?        
1 1 1 9   29 36 o 32.61749 9.044950 63.53620       29.88400 0.000000       0.000000 63.53620       29.88400 ?        ?        32.61749 9.044950 ?              ?        
1 1 1 9   29 37 o 19.85135 8.390845 10.27284       28.04525 0.000000       0.000000 10.27284       28.04525 ?        ?        19.85135 8.390845 ?              ?        
1 1 1 9   29 38 o 52.22589 6.812729 149.8139       33.99737 0.000000       0.000000 149.8139       33.99737 ?        ?        52.22589 6.812729 ?              ?        
1 1 1 9   29 39 o 24.83681 9.195515 34.05346       29.65372 0.000000       0.000000 34.05346       29.65372 ?        ?        24.83681 9.195515 ?              ?        
1 1 1 9   29 40 f 13.70943 6.604505 -32.17616      26.30091 0.000000       0.000000 -32.17616      26.30091 ?        ?        13.70943 6.604505 ?              ?        
1 1 1 9   29 41 o 32.64625 10.04061 67.75000       35.20146 0.000000       0.000000 67.75000       35.20146 ?        ?        32.64625 10.04061 ?              ?        
1 1 1 9   29 42 o 14.82444 6.977269 -20.09374      26.05057 0.000000       0.000000 -20.09374      26.05057 ?        ?        14.82444 6.977269 ?              ?        
1 1 1 9   29 43 o 34.92703 12.58733 88.97000       55.01044 0.000000       0.000000 88.97000       55.01044 ?        ?        34.92703 12.58733 ?              ?        
1 1 1 9   29 44 o 22.65231 8.739857 26.23596       27.43608 0.000000       0.000000 26.23596       27.43608 ?        ?        22.65231 8.739857 ?              ?        
1 1 1 9   29 45 o 14.89225 6.986781 -18.17308      25.75920 0.000000       0.000000 -18.17308      25.75920 ?        ?        14.89225 6.986781 ?              ?        
1 1 1 9   29 46 o 27.57454 9.689333 47.67000       32.40324 0.000000       0.000000 47.67000       32.40324 ?        ?        27.57454 9.689333 ?              ?        
1 1 1 9   29 47 o 37.29710 9.322370 88.37000       33.93740 0.000000       0.000000 88.37000       33.93740 ?        ?        37.29710 9.322370 ?              ?        
1 1 1 9   29 48 o 20.03189 8.531152 13.11000       29.36346 0.000000       0.000000 13.11000       29.36346 ?        ?        20.03189 8.531152 ?              ?        
1 1 1 9   30 0  o 29.03711 8.029745 44.46605       23.58836 51.54000       51.22108 42.56200       26.57397 33.01778 12.10943 28.58463 8.711058 4.433151       14.91713 
1 1 1 9   30 1  o 92.57821 3.969329 424.8095       35.88574 466.3000       71.27457 410.7202       41.53426 95.39219 7.698705 90.80123 4.689020 4.590958       9.014264 
1 1 1 9   30 2  o 71.91889 4.050210 256.8213       28.39672 326.3000       62.90570 239.0396       31.82372 79.44340 8.207621 69.19546 4.726973 10.24794       9.471500 
1 1 1 9   30 3  o 60.59630 4.330398 182.9645       25.51573 256.4000       57.79966 165.1895       28.43659 70.14191 8.598253 57.35596 5.118897 12.78595       10.00665 
1 1 1 9   30 4  o 59.26936 4.514895 175.3694       25.99583 216.1000       56.86483 164.6082       29.22887 63.94729 9.362093 57.20380 5.279663 6.743488       10.74819 
1 1 1 9   30 5  o 68.34140 3.633665 231.3747       24.21983 184.9000       58.50016 240.9887       26.60728 58.44423 10.61702 69.68343 3.916663 -11.23920      11.31642 
1 1 1 9   30 6  o 55.40019 4.000219 152.7110       21.54601 256.2000       58.38776 136.3971       23.18213 70.00940 8.708074 52.20449 4.583159 17.80491       9.840523 
1 1 1 9   30 7  o 61.73817 3.800499 189.2225       22.85549 162.8000       57.04901 194.2742       24.94487 54.47240 11.07726 62.48800 4.100957 -8.015598      11.81201 
1 1 1 9   30 8  o 62.42233 3.762974 193.4137       22.88527 238.5000       58.18047 185.1608       24.89183 67.26586 9.067111 60.96653 4.196786 6.299328       9.991272 
1 1 1 9   30 9  o 50.83927 4.150986 128.9881       20.47685 214.4000       56.82128 116.2403       21.95184 63.50779 9.426250 48.10462 4.722875 15.40318       10.54323 
1 1 1 9   30 10 o 47.61806 4.348115 113.5152       20.04313 90.67000       54.66447 117.0635       21.54350 40.26180 12.53418 48.29571 4.613230 -8.033909      13.35618 
1 1 1 9   30 11 o 70.71723 3.534137 247.8363       24.38576 345.0000       63.48046 231.0159       26.41232 81.49749 8.063313 68.15551 3.976397 13.34198       8.990480 
1 1 1 9   30 12 o 43.34818 4.729631 94.72289       19.74284 123.7000       54.02834 90.25732       21.20961 46.77070 11.80315 42.15898 5.253345 4.611725       12.91944 
1 1 1 9   30 13 o 66.95686 3.509048 222.3124       22.91776 274.0000       57.44804 212.5297       24.99261 72.35827 8.258837 65.35571 3.924891 7.002556       9.144022 
1 1 1 9   30 14 o 95.68459 3.582027 453.7814       33.48957 455.5000       65.68152 453.1776       38.93020 94.11201 7.184341 95.40538 4.178904 -1.293373      8.311317 
1 1 1 9   30 15 o 18.03552 6.808015 12.61681       16.41489 -14.16000      41.42230 17.60518       17.87863 21.08938 9.505384 19.92154 7.176394 1.167843       11.91020 
1 1 1 9   30 16 o 26.11573 6.538875 36.00813       16.67588 0.000000       0.000000 36.00813       16.67588 ?        ?        26.11573 6.538875 ?              ?        
1 1 1 9   30 17 o 34.53839 6.006557 61.96107       19.56955 0.000000       0.000000 61.96107       19.56955 ?        ?        34.53839 6.006557 ?              ?        
1 1 1 9   30 18 f 35.94107 4.973072 65.91876       17.02705 52.17000       39.34373 69.08730       18.88744 31.38468 10.69395 36.67336 5.425047 -5.288683      11.99132 
1 1 1 9   30 19 o 67.61447 4.965689 230.6224       32.63515 283.3000       46.95602 181.4000       45.38994 74.20297 6.531520 58.44825 8.155582 15.75473       10.44865 
1 1 1 9   30 20 o 21.65179 5.866227 24.59476       12.73870 60.00000       30.93770 17.36666       13.97868 32.98056 9.224453 18.92021 6.374911 14.06036       11.21294 
1 1 1 9   30 21 o 98.25180 3.948014 481.7387       37.89136 537.0000       58.80287 442.5000       49.55024 102.5585 5.882288 93.34836 5.446575 9.210114       8.016638 
1 1 1 9   30 22 o 37.37831 4.054173 70.52941       14.59573 66.11000       26.97338 72.35922       17.35628 34.75610 8.082020 37.63438 4.822233 -2.878281      9.411322 
1 1 1 9   30 23 f 34.01521 4.156813 58.71679       13.55291 86.78000       23.67857 45.04361       16.52804 40.72261 6.130298 29.17386 5.988689 11.54875       8.570003 
1 1 1 9   30 24 o 59.05797 3.847513 174.9655       22.12045 0.000000       0.000000 174.9655       22.12045 ?        ?        59.05797 3.847513 ?              ?        
1 1 1 9   30 25 o 63.09171 6.501497 209.1339       39.57638 0.000000       0.000000 209.1339       39.57638 ?        ?        63.09171 6.501497 ?              ?        
1 1 1 9   30 26 o 44.76536 8.277658 111.2472       34.93502 0.000000       0.000000 111.2472       34.93502 ?        ?        44.76536 8.277658 ?              ?        
1 1 1 9   30 27 o 19.88446 8.579611 4.085675       30.42374 0.000000       0.000000 4.085675       30.42374 ?        ?        19.88446 8.579611 ?              ?        
1 1 1 9   30 28 o 74.79121 5.914146 291.8767       42.94394 0.000000       0.000000 291.8767       42.94394 ?        ?        74.79121 5.914146 ?              ?        
1 1 1 9   30 29 o 82.67751 7.128845 366.9000       57.12872 0.000000       0.000000 366.9000       57.12872 ?        ?        82.67751 7.128845 ?              ?        
1 1 1 9   30 30 o 21.19989 8.792151 13.42534       29.91687 0.000000       0.000000 13.42534       29.91687 ?        ?        21.19989 8.792151 ?              ?        
1 1 1 9   30 31 f 57.04839 12.44264 209.9000       67.51946 0.000000       0.000000 209.9000       67.51946 ?        ?        57.04839 12.44264 ?              ?        
1 1 1 9   30 32 o 22.46184 9.030828 20.40935       30.38390 0.000000       0.000000 20.40935       30.38390 ?        ?        22.46184 9.030828 ?              ?        
1 1 1 9   30 33 o 29.74139 9.325401 52.41925       30.20202 0.000000       0.000000 52.41925       30.20202 ?        ?        29.74139 9.325401 ?              ?        
1 1 1 9   30 34 o 25.11950 9.003321 34.51274       28.10006 0.000000       0.000000 34.51274       28.10006 ?        ?        25.11950 9.003321 ?              ?        
1 1 1 9   30 35 o 21.36112 8.658936 17.93736       28.18760 0.000000       0.000000 17.93736       28.18760 ?        ?        21.36112 8.658936 ?              ?        
1 1 1 9   30 36 o 39.78286 8.305063 92.21706       31.29428 0.000000       0.000000 92.21706       31.29428 ?        ?        39.78286 8.305063 ?              ?        
1 1 1 9   30 37 o 32.45665 9.291433 64.71563       31.01938 0.000000       0.000000 64.71563       31.01938 ?        ?        32.45665 9.291433 ?              ?        
1 1 1 9   30 38 o 19.43605 8.344335 7.699454       28.50421 0.000000       0.000000 7.699454       28.50421 ?        ?        19.43605 8.344335 ?              ?        
1 1 1 9   30 39 o 22.88574 8.846945 26.37803       28.15202 0.000000       0.000000 26.37803       28.15202 ?        ?        22.88574 8.846945 ?              ?        
1 1 1 9   30 40 o 43.42769 9.250850 114.7000       38.11869 0.000000       0.000000 114.7000       38.11869 ?        ?        43.42769 9.250850 ?              ?        
1 1 1 9   30 41 o 38.61562 8.460884 88.50121       31.09469 0.000000       0.000000 88.50121       31.09469 ?        ?        38.61562 8.460884 ?              ?        
1 1 1 9   30 42 o 28.37308 11.74840 47.10000       53.29988 0.000000       0.000000 47.10000       53.29988 ?        ?        28.37308 11.74840 ?              ?        
1 1 1 9   30 43 o 21.38035 8.540202 20.75447       26.98924 0.000000       0.000000 20.75447       26.98924 ?        ?        21.38035 8.540202 ?              ?        
1 1 1 9   30 44 o 23.95481 8.810657 32.25028       27.14659 0.000000       0.000000 32.25028       27.14659 ?        ?        23.95481 8.810657 ?              ?        
1 1 1 9   30 45 o 23.73484 9.308220 30.33000       31.52128 0.000000       0.000000 30.33000       31.52128 ?        ?        23.73484 9.308220 ?              ?        
1 1 1 9   30 46 o 18.57014 8.189629 3.993000       29.05435 0.000000       0.000000 3.993000       29.05435 ?        ?        18.57014 8.189629 ?              ?        
1 1 1 9   30 47 o 18.15973 8.053086 2.640000       28.47200 0.000000       0.000000 2.640000       28.47200 ?        ?        18.15973 8.053086 ?              ?        
1 1 1 9   31 0  o 152.0007 4.211974 1147.483       62.60638 0.000000       0.000000 1147.483       62.60638 ?        ?        152.0007 4.211974 ?              ?        
1 1 1 9   31 1  o 57.15519 4.140667 162.8655       23.00793 0.000000       0.000000 162.8655       23.00793 ?        ?        57.15519 4.140667 ?              ?        
1 1 1 9   31 2  o 71.90726 3.487319 256.1013       24.47224 255.7000       60.36874 256.1802       26.77053 69.55573 9.083764 71.83309 3.821127 -2.277359      9.854734 
1 1 1 9   31 3  o 78.11925 4.121348 303.5708       31.40251 289.6000       62.10175 308.3703       36.39894 74.27206 8.707382 78.52688 4.757804 -4.254814      9.922460 
1 1 1 9   31 4  o 69.37582 4.301644 239.9936       29.06747 279.8000       60.12844 227.8539       33.20528 73.03891 8.573492 67.34760 5.074405 5.691307       9.962648 
1 1 1 9   31 5  o 74.00838 3.526094 271.4164       25.47006 238.3000       60.32749 278.5998       28.09701 66.82061 9.490144 74.89659 3.845459 -8.075981      10.23965 
1 1 1 9   31 6  o 72.88810 3.583177 263.4211       25.48578 280.4000       62.06929 259.9781       27.95062 72.89143 8.882717 72.30433 3.964478 0.5871048      9.727268 
1 1 1 9   31 7  o 55.99852 4.132989 156.5101       22.49447 94.92000       56.63015 168.0484       24.51114 40.88147 12.76227 57.97684 4.350933 -17.09537      13.48355 
1 1 1 9   31 8  o 49.58669 4.369160 123.2174       20.98984 118.0000       54.34586 124.1321       22.75559 45.50480 12.02297 49.67102 4.737679 -4.166218      12.92275 
1 1 1 9   31 9  o 75.93752 3.482811 285.8137       25.81871 352.2000       63.72667 272.7767       28.24028 82.21123 8.021151 74.06037 3.909471 8.150856       8.923162 
1 1 1 9   31 10 f 96.94262 3.366933 465.1831       31.90037 559.7000       74.85186 444.2060       35.26311 104.1858 7.387783 94.57685 3.817004 9.608917       8.315579 
1 1 1 9   31 11 o 58.44674 3.828017 170.1198       21.77928 239.4000       56.25873 157.9065       23.62110 67.17542 8.764887 56.16395 4.330122 11.01147       9.776155 
1 1 1 9   31 12 o 42.49891 4.709802 91.24445       19.26387 85.42000       50.62868 92.23042       20.83067 38.82822 12.05859 42.61983 5.094030 -3.791615      13.09041 
1 1 1 9   31 13 o 64.02970 3.928997 204.3199       24.50603 272.3000       55.63506 187.9552       27.29677 72.05906 8.023696 61.20017 4.590164 10.85889       9.243879 
1 1 1 9   31 14 o 18.44796 6.960515 13.40420       17.15406 24.38000       40.95133 11.06845       18.89136 26.27061 10.51096 18.32884 7.200661 7.941776       12.74087 
1 1 1 9   31 15 o 86.41283 3.325233 370.1208       28.07342 382.9000       57.73709 366.1641       32.12681 86.13590 6.905825 85.77045 3.836403 0.3654480      7.899899 
1 1 1 9   31 16 o 67.77750 3.956680 229.2646       26.13546 241.6000       48.04208 224.0794       31.14784 68.03887 7.329181 66.70001 4.803012 1.338860       8.762752 
1 1 1 9   31 17 o 99.84074 4.602941 500.0315       44.86206 0.000000       0.000000 500.0315       44.86206 ?        ?        99.84074 4.602941 ?              ?        
1 1 1 9   31 18 o 51.50972 3.671896 132.4929       18.39198 118.2000       39.97313 136.3313       20.71489 46.35383 9.134986 52.13016 4.092426 -5.776333      10.00979 
1 1 1 9   31 19 o 18.14525 7.446552 7.781797       21.16050 11.62000       31.40742 4.591247       28.63525 21.75883 9.014850 19.79596 8.427485 1.962866       12.34058 
1 1 1 9   31 20 o 71.18237 4.202659 254.4476       29.15183 299.9000       43.83649 218.4088       39.03400 76.38100 5.909253 64.95276 6.215315 11.42825       8.576096 
1 1 1 9   31 21 o 40.40552 4.576511 83.14983       17.78179 0.000000       0.000000 83.14983       17.78179 ?        ?        40.40552 4.576511 ?              ?        
1 1 1 9   31 22 o 55.63853 3.347036 154.5065       18.14385 171.8000       32.29634 146.5315       21.93199 57.60023 5.807470 53.88150 4.191403 3.718731       7.162023 
1 1 1 9   31 23 o 35.11767 4.179978 62.80095       14.08667 81.69000       22.21074 50.09000       18.21994 39.41452 5.941525 30.56972 6.298689 8.844797       8.658822 
1 1 1 9   31 24 f 26.57396 9.536896 37.25089       31.54050 0.000000       0.000000 37.25089       31.54050 ?        ?        26.57396 9.536896 ?              ?        
1 1 1 9   31 25 o 66.15953 6.153563 229.4185       39.39286 0.000000       0.000000 229.4185       39.39286 ?        ?        66.15953 6.153563 ?              ?        
1 1 1 9   31 26 o 42.27150 8.433031 100.7227       33.66909 0.000000       0.000000 100.7227       33.66909 ?        ?        42.27150 8.433031 ?              ?        
1 1 1 9   31 27 o 78.65182 5.700164 321.8790       43.58583 0.000000       0.000000 321.8790       43.58583 ?        ?        78.65182 5.700164 ?              ?        
1 1 1 9   31 28 o 17.73114 8.180479 -16.49000      33.06686 0.000000       0.000000 -16.49000      33.06686 ?        ?        17.73114 8.180479 ?              ?        
1 1 1 9   31 29 o 31.18323 9.436792 57.35500       31.26073 0.000000       0.000000 57.35500       31.26073 ?        ?        31.18323 9.436792 ?              ?        
1 1 1 9   31 30 o 38.64592 13.46955 104.8000       62.54030 0.000000       0.000000 104.8000       62.54030 ?        ?        38.64592 13.46955 ?              ?        
1 1 1 9   31 31 o 19.52151 8.379382 6.320282       28.73361 0.000000       0.000000 6.320282       28.73361 ?        ?        19.52151 8.379382 ?              ?        
1 1 1 9   31 32 o 16.25939 7.453704 -11.74639      26.84910 0.000000       0.000000 -11.74639      26.84910 ?        ?        16.25939 7.453704 ?              ?        
1 1 1 9   31 33 o 28.79550 9.090181 49.25783       28.65083 0.000000       0.000000 49.25783       28.65083 ?        ?        28.79550 9.090181 ?              ?        
1 1 1 9   31 34 o 35.60302 8.689242 75.35542       30.01095 0.000000       0.000000 75.35542       30.01095 ?        ?        35.60302 8.689242 ?              ?        
1 1 1 9   31 35 o 44.29332 7.695003 111.5336       32.15211 0.000000       0.000000 111.5336       32.15211 ?        ?        44.29332 7.695003 ?              ?        
1 1 1 9   31 36 o 15.62186 7.288225 -17.05022      27.38588 0.000000       0.000000 -17.05022      27.38588 ?        ?        15.62186 7.288225 ?              ?        
1 1 1 9   31 37 o 27.39554 9.230143 44.98452       29.30454 0.000000       0.000000 44.98452       29.30454 ?        ?        27.39554 9.230143 ?              ?        
1 1 1 9   31 38 f 30.84865 9.114158 58.54366       29.42781 0.000000       0.000000 58.54366       29.42781 ?        ?        30.84865 9.114158 ?              ?        
1 1 1 9   31 39 o 42.32800 9.137351 109.0000       36.74699 0.000000       0.000000 109.0000       36.74699 ?        ?        42.32800 9.137351 ?              ?        
1 1 1 9   31 40 o 18.76078 8.201778 4.176775       28.56845 0.000000       0.000000 4.176775       28.56845 ?        ?        18.76078 8.201778 ?              ?        
1 1 1 9   31 41 o 22.25706 8.832440 23.62468       28.68401 0.000000       0.000000 23.62468       28.68401 ?        ?        22.25706 8.832440 ?              ?        
1 1 1 9   31 42 o 21.85824 8.618549 23.07340       27.15033 0.000000       0.000000 23.07340       27.15033 ?        ?        21.85824 8.618549 ?              ?        
1 1 1 9   31 43 o 19.63708 8.217244 12.79451       26.47439 0.000000       0.000000 12.79451       26.47439 ?        ?        19.63708 8.217244 ?              ?        
1 1 1 9   31 44 o 34.79173 9.635821 78.25000       33.93934 0.000000       0.000000 78.25000       33.93934 ?        ?        34.79173 9.635821 ?              ?        
1 1 1 9   31 45 o 20.97240 8.754102 17.94000       29.93478 0.000000       0.000000 17.94000       29.93478 ?        ?        20.97240 8.754102 ?              ?        
1 1 1 9   31 46 o 27.67486 9.537729 49.97000       31.31838 0.000000       0.000000 49.97000       31.31838 ?        ?        27.67486 9.537729 ?              ?        
1 1 1 9   32 0  o 100.4891 3.327920 499.7409       32.68877 528.0000       74.48428 492.9997       36.37941 101.0044 7.589375 99.66512 3.735731 1.339279       8.458978 
1 1 1 9   32 1  o 81.08663 3.771892 326.6540       29.85541 0.000000       0.000000 326.6540       29.85541 ?        ?        81.08663 3.771892 ?              ?        
1 1 1 9   32 2  o 67.87514 3.867511 229.2787       25.58865 0.000000       0.000000 229.2787       25.58865 ?        ?        67.87514 3.867511 ?              ?        
1 1 1 9   32 3  o 70.47141 6.160827 253.2635       42.07008 278.7000       60.08479 228.8000       58.92432 72.60963 8.622182 65.19511 9.513903 7.414520       12.83964 
1 1 1 9   32 4  o 78.07970 4.211510 304.1062       32.06800 270.9000       60.72188 316.9496       37.76374 71.41203 8.878105 79.46264 4.878705 -8.050613      10.13028 
1 1 1 9   32 5  o 26.24416 8.000791 36.15494       22.41438 40.35000       48.32869 35.00529       25.29997 30.22239 11.61556 26.13621 8.569677 4.086185       14.43470 
1 1 1 9   32 6  o 49.19226 4.497493 121.6234       21.41643 98.64000       51.33211 126.4672       23.56539 41.49185 11.97589 50.05869 4.870900 -8.566841      12.92856 
1 1 1 9   32 7  o 24.19801 7.238231 30.57914       18.46979 9.178000       49.13619 34.10052       19.93148 25.72207 10.99745 25.45288 7.495774 0.2691860      13.30904 
1 1 1 9   32 8  o 62.06199 3.832724 191.8613       23.16944 178.4000       56.19497 194.6184       25.43168 56.79023 10.49574 62.40311 4.187783 -5.612881      11.30036 
1 1 1 9   32 9  o 45.87847 4.626684 106.1741       20.49358 50.99000       50.38642 117.1126       22.43293 32.16467 11.97180 48.14459 4.825243 -15.97992      12.90763 
1 1 1 9   32 10 o 15.74870 6.618006 2.864000       17.28396 29.05000       46.79734 -1.272237      18.59899 28.01091 11.22634 15.39596 6.675530 12.61495       13.06114 
1 1 1 9   32 11 o 33.72626 5.887066 59.15756       18.72785 68.28000       48.00587 57.51999       20.33943 35.08460 11.81374 33.04571 6.519734 2.038891       13.49338 
1 1 1 9   32 12 o 22.26018 7.457735 24.67027       19.13255 15.18000       46.11733 26.64326       21.02751 25.74632 10.81422 23.13141 7.818698 2.614918       13.34464 
1 1 1 9   32 13 o 66.45893 3.619316 219.8495       23.45546 232.4000       50.81334 216.4512       26.44097 66.27760 7.993830 65.77670 4.127565 0.5009079      8.996561 
1 1 1 9   32 14 o 76.17084 3.413695 288.1978       25.38720 326.9000       53.85556 277.1406       28.78620 79.32767 7.007844 74.50239 3.961612 4.825279       8.050109 
1 1 1 9   32 15 o 18.52259 7.177402 12.51835       18.56223 -3.718000      35.94525 18.42264       21.67610 20.63296 9.103856 20.87818 7.835758 -0.2452259     12.01163 
1 1 1 9   32 16 o 31.34789 5.659085 51.35059       16.72561 28.84000       34.42572 58.30593       19.13589 25.61006 9.813471 33.30122 6.095140 -7.691160      11.55227 
1 1 1 9   32 17 o 15.91622 6.505270 5.904635       16.06673 0.000000       0.000000 5.904635       16.06673 ?        ?        15.91622 6.505270 ?              ?        
1 1 1 9   32 18 o 37.44963 8.891505 78.61536       32.10403 0.000000       0.000000 78.61536       32.10403 ?        ?        37.44963 8.891505 ?              ?        
1 1 1 9   32 19 o 96.20043 5.389575 473.1558       50.54728 0.000000       0.000000 473.1558       50.54728 ?        ?        96.20043 5.389575 ?              ?        
1 1 1 9   32 20 o 21.76219 5.909466 25.23604       12.90989 14.72000       26.64589 28.46177       14.75767 20.94362 8.444205 23.03477 6.344067 -2.091152      10.56181 
1 1 1 9   32 21 o 48.67137 3.409840 118.6624       16.14201 85.66000       29.13291 133.2830       19.39067 39.39120 7.831624 51.42654 3.880753 -12.03534      8.740398 
1 1 1 9   32 22 o 55.17391 3.232195 152.0576       17.37926 161.8000       30.10434 147.1876       21.28424 55.83751 5.582814 53.96731 4.058968 1.870197       6.902393 
1 1 1 9   32 23 o 29.01164 4.109328 43.14252       11.34321 27.27000       18.16291 53.29192       14.52388 22.61941 7.248948 32.07116 4.771729 -9.451750      8.678516 
1 1 1 9   32 24 o 54.68037 7.004554 160.9894       36.63037 0.000000       0.000000 160.9894       36.63037 ?        ?        54.68037 7.004554 ?              ?        
1 1 1 9   32 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   32 26 o 37.08978 10.36039 83.95000       39.05340 0.000000       0.000000 83.95000       39.05340 ?        ?        37.08978 10.36039 ?              ?        
1 1 1 9   32 27 o 26.15133 9.938790 35.34000       35.12433 0.000000       0.000000 35.34000       35.12433 ?        ?        26.15133 9.938790 ?              ?        
1 1 1 9   32 28 o 46.82350 7.635752 121.7822       33.79136 0.000000       0.000000 121.7822       33.79136 ?        ?        46.82350 7.635752 ?              ?        
1 1 1 9   32 29 o 42.15834 13.71383 128.2000       64.85200 0.000000       0.000000 128.2000       64.85200 ?        ?        42.15834 13.71383 ?              ?        
1 1 1 9   32 30 o 19.27272 8.227619 7.229428       27.42763 0.000000       0.000000 7.229428       27.42763 ?        ?        19.27272 8.227619 ?              ?        
1 1 1 9   32 31 o 31.36047 8.928914 58.57283       28.72255 0.000000       0.000000 58.57283       28.72255 ?        ?        31.36047 8.928914 ?              ?        
1 1 1 9   32 32 o 31.22559 9.078638 58.90059       29.40131 0.000000       0.000000 58.90059       29.40131 ?        ?        31.22559 9.078638 ?              ?        
1 1 1 9   32 33 o 20.81953 8.527765 16.39146       27.68449 0.000000       0.000000 16.39146       27.68449 ?        ?        20.81953 8.527765 ?              ?        
1 1 1 9   32 34 o 41.66558 8.017915 100.5525       31.51299 0.000000       0.000000 100.5525       31.51299 ?        ?        41.66558 8.017915 ?              ?        
1 1 1 9   32 35 o 34.09109 8.909265 70.55202       30.05447 0.000000       0.000000 70.55202       30.05447 ?        ?        34.09109 8.909265 ?              ?        
1 1 1 9   32 36 o 15.50671 7.203391 -14.82210      26.30136 0.000000       0.000000 -14.82210      26.30136 ?        ?        15.50671 7.203391 ?              ?        
1 1 1 9   32 37 o 34.98842 9.860231 77.88000       35.20929 0.000000       0.000000 77.88000       35.20929 ?        ?        34.98842 9.860231 ?              ?        
1 1 1 9   32 38 o 27.45131 9.150068 45.87292       28.80649 0.000000       0.000000 45.87292       28.80649 ?        ?        27.45131 9.150068 ?              ?        
1 1 1 9   32 39 o 49.82591 12.49819 176.5000       60.84231 0.000000       0.000000 176.5000       60.84231 ?        ?        49.82591 12.49819 ?              ?        
1 1 1 9   32 40 o 29.49485 9.152774 54.17565       29.17460 0.000000       0.000000 54.17565       29.17460 ?        ?        29.49485 9.152774 ?              ?        
1 1 1 9   32 41 o 21.19593 8.584179 19.62908       27.67424 0.000000       0.000000 19.62908       27.67424 ?        ?        21.19593 8.584179 ?              ?        
1 1 1 9   32 42 o 22.06208 8.669377 24.44325       27.38949 0.000000       0.000000 24.44325       27.38949 ?        ?        22.06208 8.669377 ?              ?        
1 1 1 9   32 43 f 28.28296 9.654413 51.65000       32.06891 0.000000       0.000000 51.65000       32.06891 ?        ?        28.28296 9.654413 ?              ?        
1 1 1 9   32 44 o 43.66362 8.817716 118.3000       36.38674 0.000000       0.000000 118.3000       36.38674 ?        ?        43.66362 8.817716 ?              ?        
1 1 1 9   32 45 o 42.12301 9.020060 112.4000       36.06953 0.000000       0.000000 112.4000       36.06953 ?        ?        42.12301 9.020060 ?              ?        
1 1 1 9   33 0  o 27.14158 6.599583 39.08707       17.36110 14.17000       47.76235 42.88041       18.63582 25.97811 10.96377 28.39514 6.795736 -2.417032      12.89908 
1 1 1 9   33 1  o 40.96199 4.735193 85.04498       18.63646 52.06000       48.86138 90.66048       20.16052 32.10238 11.81820 42.23705 4.971539 -10.13466      12.82131 
1 1 1 9   33 2  o 62.37148 4.031166 194.3595       24.47883 0.000000       0.000000 194.3595       24.47883 ?        ?        62.37148 4.031166 ?              ?        
1 1 1 9   33 3  o 59.17496 4.132725 175.2309       23.78714 0.000000       0.000000 175.2309       23.78714 ?        ?        59.17496 4.132725 ?              ?        
1 1 1 9   33 4  o 40.55891 4.960220 83.71559       19.28285 141.7000       50.05893 73.61270       20.89531 50.24313 10.51686 37.71393 5.849681 12.52921       12.03424 
1 1 1 9   33 5  o 40.70469 6.218322 86.08147       23.99078 64.56000       49.09996 92.83088       27.49654 34.35397 11.93712 42.02626 6.925229 -7.672283      13.80050 
1 1 1 9   33 6  o 61.40396 4.725904 189.9740       28.18616 210.0000       53.74303 182.3757       33.10433 62.33788 9.073867 59.75762 5.729707 2.580261       10.73148 
1 1 1 9   33 7  o 70.40323 3.623857 246.6656       24.88892 305.8000       57.71413 233.1558       27.58585 76.21564 7.848343 68.26748 4.147826 7.948158       8.876990 
1 1 1 9   33 8  o 32.91066 6.263158 56.90709       19.43917 47.90000       48.23465 58.65369       21.24047 31.15991 11.69001 33.26086 6.754990 -2.100946      13.50134 
1 1 1 9   33 9  o 18.64523 7.087287 13.60171       17.86264 35.31000       47.68294 10.05797       19.26554 28.94408 11.41879 18.12789 7.223944 10.81619       13.51200 
1 1 1 9   33 10 o 30.63747 6.902413 50.17370       20.20131 31.85000       47.81219 54.15566       22.28848 28.35682 11.35339 31.72183 7.326015 -3.365005      13.51185 
1 1 1 9   33 11 o 42.76910 5.249192 93.70124       21.51472 52.81000       47.66283 104.1652       24.11087 31.77958 11.67694 44.99400 5.595123 -13.21441      12.94822 
1 1 1 9   33 12 o 42.69423 4.928439 93.00256       20.21848 31.80000       46.29480 107.4274       22.47519 27.95421 11.17869 45.86229 5.092323 -17.90807      12.28392 
1 1 1 9   33 13 o 24.70560 7.752885 32.34700       20.87071 53.63000       38.39706 23.42222       24.86453 31.17902 10.56533 22.71711 8.418522 8.461910       13.50917 
1 1 1 9   33 14 o 31.10071 7.174217 52.39168       21.39497 10.22000       37.53205 72.69209       26.04019 22.85051 9.684887 36.61467 7.517737 -13.76416      12.26024 
1 1 1 9   33 15 o 41.66269 4.670626 88.54154       18.71957 74.74000       37.87649 93.00229       21.53325 35.87212 10.26653 42.47446 5.293953 -6.602337      11.55109 
1 1 1 9   33 16 o 83.08765 4.189974 347.3771       33.96644 378.8000       53.02091 325.5049       44.23547 85.25449 6.400382 79.48865 5.723701 5.765839       8.586364 
1 1 1 9   33 17 o 54.96898 4.374667 153.1175       23.34393 0.000000       0.000000 153.1175       23.34393 ?        ?        54.96898 4.374667 ?              ?        
1 1 1 9   33 18 o 26.72886 6.743488 38.92774       17.63926 0.000000       0.000000 38.92774       17.63926 ?        ?        26.72886 6.743488 ?              ?        
1 1 1 9   33 19 o 56.02357 4.615767 160.0504       25.08733 139.0000       34.62780 183.3053       36.39589 50.78315 7.165130 58.92470 6.413655 -8.141544      9.616343 
1 1 1 9   33 20 o 14.18777 5.666266 5.984779       11.87894 24.29000       23.28593 -0.4546975     13.81120 22.34539 8.169718 13.29953 5.759563 9.045855       9.995842 
1 1 1 9   33 21 o 23.98368 5.274996 30.57784       12.04613 28.03000       22.45021 31.60796       14.27511 23.20657 8.071304 24.18608 6.046597 -0.9795170     10.08500 
1 1 1 9   33 22 o 50.60218 3.216408 128.1869       15.84867 119.6000       26.95535 132.7237       19.59311 47.63670 5.907431 51.21140 3.938925 -3.574707      7.100202 
1 1 1 9   33 23 f 27.08711 9.618974 40.57658       32.00122 0.000000       0.000000 40.57658       32.00122 ?        ?        27.08711 9.618974 ?              ?        
1 1 1 9   33 24 o 36.58738 9.276205 78.89705       33.26126 0.000000       0.000000 78.89705       33.26126 ?        ?        36.58738 9.276205 ?              ?        
1 1 1 9   33 25 o 23.12025 9.507213 19.70000       34.58129 0.000000       0.000000 19.70000       34.58129 ?        ?        23.12025 9.507213 ?              ?        
1 1 1 9   33 26 o 34.25360 10.45555 72.71000       38.26282 0.000000       0.000000 72.71000       38.26282 ?        ?        34.25360 10.45555 ?              ?        
1 1 1 9   33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   33 28 o 30.32356 9.444031 55.35205       31.02990 0.000000       0.000000 55.35205       31.02990 ?        ?        30.32356 9.444031 ?              ?        
1 1 1 9   33 29 o 27.53994 9.111661 44.44660       28.57803 0.000000       0.000000 44.44660       28.57803 ?        ?        27.53994 9.111661 ?              ?        
1 1 1 9   33 30 o 23.68753 8.942161 29.18301       28.32040 0.000000       0.000000 29.18301       28.32040 ?        ?        23.68753 8.942161 ?              ?        
1 1 1 9   33 31 o 31.03164 9.018606 58.60051       29.01904 0.000000       0.000000 58.60051       29.01904 ?        ?        31.03164 9.018606 ?              ?        
1 1 1 9   33 32 o 17.79987 7.819016 1.537578       26.24299 0.000000       0.000000 1.537578       26.24299 ?        ?        17.79987 7.819016 ?              ?        
1 1 1 9   33 33 o 13.27475 6.421793 -33.56732      25.50572 0.000000       0.000000 -33.56732      25.50572 ?        ?        13.27475 6.421793 ?              ?        
1 1 1 9   33 34 o 15.09385 7.040227 -16.21739      25.52961 0.000000       0.000000 -16.21739      25.52961 ?        ?        15.09385 7.040227 ?              ?        
1 1 1 9   33 35 f 17.59894 7.782972 0.4111653      26.41574 0.000000       0.000000 0.4111653      26.41574 ?        ?        17.59894 7.782972 ?              ?        
1 1 1 9   33 36 o 21.04601 8.950530 13.80000       32.24290 0.000000       0.000000 13.80000       32.24290 ?        ?        21.04601 8.950530 ?              ?        
1 1 1 9   33 37 o 49.74319 7.011372 138.5704       33.19256 0.000000       0.000000 138.5704       33.19256 ?        ?        49.74319 7.011372 ?              ?        
1 1 1 9   33 38 o 24.60195 11.02860 15.57000       54.92215 0.000000       0.000000 15.57000       54.92215 ?        ?        24.60195 11.02860 ?              ?        
1 1 1 9   33 39 o 64.07562 5.946835 222.1254       36.87232 0.000000       0.000000 222.1254       36.87232 ?        ?        64.07562 5.946835 ?              ?        
1 1 1 9   33 40 o 46.04370 7.156260 120.2076       31.20543 0.000000       0.000000 120.2076       31.20543 ?        ?        46.04370 7.156260 ?              ?        
1 1 1 9   33 41 o 27.47232 9.078764 47.22852       28.37456 0.000000       0.000000 47.22852       28.37456 ?        ?        27.47232 9.078764 ?              ?        
1 1 1 9   33 42 o 36.80372 9.652393 88.35000       35.19539 0.000000       0.000000 88.35000       35.19539 ?        ?        36.80372 9.652393 ?              ?        
1 1 1 9   33 43 o 25.45521 9.352069 40.73000       30.57154 0.000000       0.000000 40.73000       30.57154 ?        ?        25.45521 9.352069 ?              ?        
1 1 1 9   34 0  o 12.29110 5.679941 -11.84875      16.03609 -5.133000      46.55281 -12.75293      17.08153 23.09180 10.26558 12.64836 5.851073 10.44343       11.81597 
1 1 1 9   34 1  o 21.86614 7.119354 24.35046       17.47570 -23.21000      48.28066 31.52108       18.74687 21.61140 9.939573 24.39152 7.291428 -2.780121      12.32721 
1 1 1 9   34 2  o 32.43001 5.982496 55.15266       18.29101 51.11000       49.34067 55.79673       19.69423 31.63140 11.83227 32.47496 6.423225 -0.8435555     13.46330 
1 1 1 9   34 3  o 65.18987 4.012043 212.7688       25.47668 0.000000       0.000000 212.7688       25.47668 ?        ?        65.18987 4.012043 ?              ?        
1 1 1 9   34 4  o 64.44203 4.135306 208.2805       25.94687 0.000000       0.000000 208.2805       25.94687 ?        ?        64.44203 4.135306 ?              ?        
1 1 1 9   34 5  o 55.78384 4.065301 156.1917       22.04530 116.8000       51.27697 165.1237       24.41707 44.42423 11.65060 57.24763 4.390941 -12.82340      12.45058 
1 1 1 9   34 6  o 42.67155 5.942895 94.61250       24.14976 81.23000       47.05283 99.39851       28.13869 37.18523 11.63685 43.35913 6.857885 -6.173893      13.50729 
1 1 1 9   34 7  o 51.57481 5.185214 135.8983       25.82161 109.5000       48.61737 146.2709       30.47526 43.03929 11.37173 53.17875 5.956933 -10.13945      12.83749 
1 1 1 9   34 8  o 61.65964 4.663844 192.3894       27.93952 190.8000       52.97657 193.0018       32.88469 58.50633 9.582112 61.35283 5.535336 -2.846500      11.06602 
1 1 1 9   34 9  o 22.04016 7.525005 24.36482       19.48275 -3.015000      46.37999 30.23139       21.46877 23.07556 10.25312 24.05357 7.894608 -0.9780178     12.94030 
1 1 1 9   34 10 o 72.08978 3.638289 259.6566       25.59003 317.4000       57.82978 245.5966       28.53592 77.06014 7.772943 69.87217 4.191628 7.187973       8.831103 
1 1 1 9   34 11 o 42.85004 4.937270 94.10288       20.33016 98.10000       46.82811 93.17452       22.56792 40.38416 11.36802 42.37983 5.575446 -1.995670      12.66166 
1 1 1 9   34 12 o 72.46013 4.375803 265.1507       30.89118 251.7000       54.35348 271.5683       37.54420 67.93179 8.349691 72.81451 5.304046 -4.882721      9.891929 
1 1 1 9   34 13 o 20.45778 7.250075 20.23050       18.17194 -1.495000      37.00914 27.13235       20.85965 20.86930 9.221566 22.93113 7.787136 -2.061829      12.06966 
1 1 1 9   34 14 o 18.12601 7.567718 6.849925       22.37841 -2.070000      35.86198 12.53833       28.63842 20.44532 9.053779 20.92810 8.633498 -0.4827785     12.51032 
1 1 1 9   34 15 o 78.79643 3.367374 310.1641       25.91204 273.4000       48.45451 324.8889       30.66523 71.60492 7.002711 80.36689 3.909922 -8.761971      8.020315 
1 1 1 9   34 16 o 29.67592 6.011798 47.15091       16.86366 18.18000       31.08905 59.22873       20.07338 22.44096 9.094758 33.17598 6.413501 -10.73502      11.12868 
1 1 1 9   34 17 o 23.29522 7.416278 29.20977       19.03553 0.000000       0.000000 29.20977       19.03553 ?        ?        23.29522 7.416278 ?              ?        
1 1 1 9   34 18 o 52.45053 4.540271 140.5331       23.08044 0.000000       0.000000 140.5331       23.08044 ?        ?        52.45053 4.540271 ?              ?        
1 1 1 9   34 19 o 35.53682 6.146676 67.60554       20.60738 78.95000       26.82620 51.27370       32.18732 37.72483 7.528777 29.67945 9.661878 8.045382       12.24885 
1 1 1 9   34 20 f 20.50036 5.979630 22.49351       12.73646 29.05000       23.71209 19.83487       15.09955 23.54180 8.287328 19.68092 6.625545 3.860874       10.61026 
1 1 1 9   34 21 o 51.80465 3.286750 134.5983       16.58046 138.7000       28.72368 132.5486       20.30490 51.31324 5.821550 51.06904 4.096297 0.2441978      7.118293 
1 1 1 9   34 22 o 25.74119 4.761425 34.81091       11.55521 55.58000       21.68584 26.57594       13.65521 31.60719 7.174206 22.13408 6.105048 9.473106       9.420236 
1 1 1 9   34 23 o 57.57637 6.746539 178.7996       37.30143 0.000000       0.000000 178.7996       37.30143 ?        ?        57.57637 6.746539 ?              ?        
1 1 1 9   34 24 o 51.85990 8.650244 154.4000       42.36451 0.000000       0.000000 154.4000       42.36451 ?        ?        51.85990 8.650244 ?              ?        
1 1 1 9   34 25 o 33.21554 9.316895 66.30840       31.51285 0.000000       0.000000 66.30840       31.51285 ?        ?        33.21554 9.316895 ?              ?        
1 1 1 9   34 26 o 36.16239 13.19424 93.30000       60.69019 0.000000       0.000000 93.30000       60.69019 ?        ?        36.16239 13.19424 ?              ?        
1 1 1 9   34 27 o 68.27914 5.823159 246.9346       38.54716 0.000000       0.000000 246.9346       38.54716 ?        ?        68.27914 5.823159 ?              ?        
1 1 1 9   34 28 o 25.23852 9.164138 35.70258       29.22777 0.000000       0.000000 35.70258       29.22777 ?        ?        25.23852 9.164138 ?              ?        
1 1 1 9   34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   34 30 o 24.90414 9.177497 34.88688       29.47778 0.000000       0.000000 34.88688       29.47778 ?        ?        24.90414 9.177497 ?              ?        
1 1 1 9   34 31 o 25.39779 9.039285 37.56274       28.27483 0.000000       0.000000 37.56274       28.27483 ?        ?        25.39779 9.039285 ?              ?        
1 1 1 9   34 32 f 31.88882 8.913798 62.15074       28.89816 0.000000       0.000000 62.15074       28.89816 ?        ?        31.88882 8.913798 ?              ?        
1 1 1 9   34 33 o 27.42043 9.083695 45.79953       28.40028 0.000000       0.000000 45.79953       28.40028 ?        ?        27.42043 9.083695 ?              ?        
1 1 1 9   34 34 o 26.36411 9.036689 41.72073       28.10283 0.000000       0.000000 41.72073       28.10283 ?        ?        26.36411 9.036689 ?              ?        
1 1 1 9   34 35 o 21.80052 9.038768 19.20000       31.60662 0.000000       0.000000 19.20000       31.60662 ?        ?        21.80052 9.038768 ?              ?        
1 1 1 9   34 36 o 16.07862 7.409902 -11.38232      27.02418 0.000000       0.000000 -11.38232      27.02418 ?        ?        16.07862 7.409902 ?              ?        
1 1 1 9   34 37 o 24.17751 10.87602 14.04000       53.92943 0.000000       0.000000 14.04000       53.92943 ?        ?        24.17751 10.87602 ?              ?        
1 1 1 9   34 38 o 32.34611 9.037305 65.53168       29.71211 0.000000       0.000000 65.53168       29.71211 ?        ?        32.34611 9.037305 ?              ?        
1 1 1 9   34 39 o 18.01350 7.880602 4.008122       26.41537 0.000000       0.000000 4.008122       26.41537 ?        ?        18.01350 7.880602 ?              ?        
1 1 1 9   34 40 o 20.54282 8.424352 17.90234       27.05741 0.000000       0.000000 17.90234       27.05741 ?        ?        20.54282 8.424352 ?              ?        
1 1 1 9   34 41 o 18.56121 8.219851 3.905000       29.56346 0.000000       0.000000 3.905000       29.56346 ?        ?        18.56121 8.219851 ?              ?        
1 1 1 9   34 42 o 20.86676 8.738194 18.43000       29.97074 0.000000       0.000000 18.43000       29.97074 ?        ?        20.86676 8.738194 ?              ?        
1 1 1 9   35 0  o 60.31905 3.869485 182.5917       22.72570 152.3000       53.98077 189.1170       25.05417 50.72878 11.17367 61.25628 4.204017 -10.52749      11.93837 
1 1 1 9   35 1  o 29.95056 6.446103 48.07803       18.33743 55.54000       48.87774 46.85569       19.78242 31.83294 11.80202 29.38649 6.981363 2.446445       13.71230 
1 1 1 9   35 2  o 36.90305 5.519720 70.89510       19.32664 -5.196000      48.33671 85.37429       21.08542 23.12979 10.35917 40.58958 5.444321 -17.45979      11.70269 
1 1 1 9   35 3  o 30.15039 6.464460 48.76725       18.50513 83.34000       47.18667 42.48371       20.11660 37.15549 11.65714 27.88627 7.289545 9.269224       13.74869 
1 1 1 9   35 4  o 63.99636 4.176929 206.4093       26.02189 0.000000       0.000000 206.4093       26.02189 ?        ?        63.99636 4.176929 ?              ?        
1 1 1 9   35 5  o 21.01620 7.559282 21.02111       19.82855 0.000000       0.000000 21.02111       19.82855 ?        ?        21.01620 7.559282 ?              ?        
1 1 1 9   35 6  o 28.54496 6.917619 44.32084       19.12367 28.39000       45.21465 47.79158       21.10428 26.81040 10.92996 29.51884 7.336098 -2.708439      13.16367 
1 1 1 9   35 7  o 30.93440 7.830371 53.11178       23.72772 23.70000       46.74993 63.31729       27.53834 26.29867 10.95572 33.56628 8.402027 -7.267618      13.80659 
1 1 1 9   35 8  o 34.38546 8.071373 65.99385       26.69752 94.51000       47.90861 53.15000       32.15258 39.15142 11.64472 30.49764 9.629961 8.653780       15.11078 
1 1 1 9   35 9  o 35.07676 6.000295 65.20669       19.86150 92.28000       47.23387 59.39155       21.89087 38.63360 11.57961 33.01963 6.991114 5.613968       13.52638 
1 1 1 9   35 10 o 56.60452 4.144172 162.1299       22.80210 224.6000       51.25295 146.7139       25.46061 63.68729 8.428370 53.47409 4.919378 10.21320       9.758980 
1 1 1 9   35 11 o 36.10626 7.328662 71.59724       25.01490 81.70000       44.92882 67.05855       30.11418 36.37500 11.36937 34.13668 8.916603 2.238312       14.44882 
1 1 1 9   35 12 o 65.18237 4.687374 216.8499       29.70683 246.9000       51.78352 202.1092       36.26835 67.03383 8.053140 62.08424 6.044600 4.949593       10.06927 
1 1 1 9   35 13 o 11.82418 5.586297 -17.30158      16.98897 10.32000       31.89746 -28.24016      20.07300 21.18016 8.950351 11.90331 5.743249 9.276850       10.63455 
1 1 1 9   35 14 o 36.89250 6.504911 73.29568       22.63202 0.000000       0.000000 73.29568       22.63202 ?        ?        36.89250 6.504911 ?              ?        
1 1 1 9   35 15 o 14.97461 6.335218 2.865406       16.01086 25.27000       29.58716 -6.412268      19.03945 23.45938 9.069388 14.35202 6.458661 9.107362       11.13410 
1 1 1 9   35 16 o 27.44998 6.529194 41.26860       17.28630 11.84000       32.32736 53.05263       20.45655 21.40917 9.026871 31.02898 6.912455 -9.619806      11.36954 
1 1 1 9   35 17 o 40.07352 4.487380 82.51279       17.29986 75.77000       30.31591 85.76888       21.06679 36.21007 8.668546 40.42089 5.464422 -4.210819      10.24713 
1 1 1 9   35 18 o 44.89755 4.901355 104.3416       21.19053 0.000000       0.000000 104.3416       21.19053 ?        ?        44.89755 4.901355 ?              ?        
1 1 1 9   35 19 o 35.09986 6.320476 66.59609       20.91657 65.63000       26.91107 68.07034       33.24342 33.83131 8.210686 33.68521 9.610909 0.1460953      12.64061 
1 1 1 9   35 20 o 29.90198 4.843409 46.82490       13.69161 31.46000       23.65309 54.56749       16.79060 24.08233 8.289192 32.02485 5.557854 -7.942514      9.980002 
1 1 1 9   35 21 o 32.12051 4.265494 53.20417       13.07971 34.86000       24.11668 60.84858       15.56827 25.01005 8.372875 34.17269 4.785297 -9.162640      9.643864 
1 1 1 9   35 22 o 25.67232 9.959620 34.05000       35.77418 0.000000       0.000000 34.05000       35.77418 ?        ?        25.67232 9.959620 ?              ?        
1 1 1 9   35 23 o 35.66297 9.110377 76.09523       31.91368 0.000000       0.000000 76.09523       31.91368 ?        ?        35.66297 9.110377 ?              ?        
1 1 1 9   35 24 o 16.60922 7.598007 -10.61513      27.70289 0.000000       0.000000 -10.61513      27.70289 ?        ?        16.60922 7.598007 ?              ?        
1 1 1 9   35 25 o 41.69920 13.39675 128.0000       62.00705 0.000000       0.000000 128.0000       62.00705 ?        ?        41.69920 13.39675 ?              ?        
1 1 1 9   35 26 o 46.57056 7.534688 122.4438       33.17415 0.000000       0.000000 122.4438       33.17415 ?        ?        46.57056 7.534688 ?              ?        
1 1 1 9   35 27 o 42.94080 8.184071 107.4731       33.14357 0.000000       0.000000 107.4731       33.14357 ?        ?        42.94080 8.184071 ?              ?        
1 1 1 9   35 28 o 24.82145 9.237761 34.54490       29.99910 0.000000       0.000000 34.54490       29.99910 ?        ?        24.82145 9.237761 ?              ?        
1 1 1 9   35 29 o 33.07880 9.092138 67.65368       30.34627 0.000000       0.000000 67.65368       30.34627 ?        ?        33.07880 9.092138 ?              ?        
1 1 1 9   35 30 o 19.46836 8.311410 9.355506       27.99077 0.000000       0.000000 9.355506       27.99077 ?        ?        19.46836 8.311410 ?              ?        
1 1 1 9   35 31 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   35 32 o 29.12906 9.095263 52.55515       28.76068 0.000000       0.000000 52.55515       28.76068 ?        ?        29.12906 9.095263 ?              ?        
1 1 1 9   35 33 o 24.47617 9.459494 33.15000       32.17972 0.000000       0.000000 33.15000       32.17972 ?        ?        24.47617 9.459494 ?              ?        
1 1 1 9   35 34 o 25.51364 9.099702 38.70424       28.66857 0.000000       0.000000 38.70424       28.66857 ?        ?        25.51364 9.099702 ?              ?        
1 1 1 9   35 35 o 22.54766 10.39219 -2.146000      53.17292 0.000000       0.000000 -2.146000      53.17292 ?        ?        22.54766 10.39219 ?              ?        
1 1 1 9   35 36 o 25.49677 9.118468 39.11538       28.80668 0.000000       0.000000 39.11538       28.80668 ?        ?        25.49677 9.118468 ?              ?        
1 1 1 9   35 37 o 24.43286 8.900871 34.85834       27.60410 0.000000       0.000000 34.85834       27.60410 ?        ?        24.43286 8.900871 ?              ?        
1 1 1 9   35 38 o 23.76700 8.867189 32.58851       27.67380 0.000000       0.000000 32.58851       27.67380 ?        ?        23.76700 8.867189 ?              ?        
1 1 1 9   35 39 o 39.76585 9.204654 100.5000       35.11926 0.000000       0.000000 100.5000       35.11926 ?        ?        39.76585 9.204654 ?              ?        
1 1 1 9   35 40 o 23.12380 9.203249 29.77000       31.23063 0.000000       0.000000 29.77000       31.23063 ?        ?        23.12380 9.203249 ?              ?        
1 1 1 9   35 41 o 27.44484 9.563410 50.29000       31.52578 0.000000       0.000000 50.29000       31.52578 ?        ?        27.44484 9.563410 ?              ?        
1 1 1 9   36 0  o 63.89865 3.834296 205.5837       23.87158 119.2000       53.91311 226.6495       26.62364 43.16844 12.21369 66.98086 4.080145 -23.81242      12.87718 
1 1 1 9   36 1  o 82.83369 3.884890 345.2728       31.41090 326.7000       61.65337 351.7836       36.50371 76.93619 8.319071 83.22746 4.497598 -6.291267      9.457026 
1 1 1 9   36 2  o 44.00423 4.683792 99.34148       19.86465 88.25000       48.34237 101.5948       21.78922 37.44393 11.80612 44.31304 5.117378 -6.869110      12.86748 
1 1 1 9   36 3  o 37.46056 5.473213 73.51020       19.47648 66.68000       47.37794 74.89918       21.36525 33.17514 11.71125 37.57569 6.011455 -4.400547      13.16400 
1 1 1 9   36 4  o 19.46190 7.171944 17.36757       18.00195 -24.12000      44.37137 25.54201       19.69576 20.00457 9.314240 22.18801 7.566237 -2.183449      12.00012 
1 1 1 9   36 5  o 33.72947 6.881866 62.06752       21.95040 0.000000       0.000000 62.06752       21.95040 ?        ?        33.72947 6.881866 ?              ?        
1 1 1 9   36 6  o 45.32670 6.056137 108.5419       26.19753 0.000000       0.000000 108.5419       26.19753 ?        ?        45.32670 6.056137 ?              ?        
1 1 1 9   36 7  o 20.88717 7.729191 20.43541       20.94567 39.73000       45.27601 15.18158       23.62590 28.18404 11.12440 20.15704 8.010492 8.026999       13.70841 
1 1 1 9   36 8  o 21.46443 7.993494 21.66034       22.46890 48.39000       45.48447 13.03205       25.84215 29.62012 11.29732 20.20555 8.253339 9.414574       13.99097 
1 1 1 9   36 9  o 22.63123 9.374626 16.71456       33.95597 -20.95000      43.49287 75.51000       54.34047 20.02156 9.287775 34.53889 12.50199 -14.51733      15.57442 
1 1 1 9   36 10 o 22.61967 9.266641 18.24999       32.69648 14.98000       41.20440 23.81000       53.72891 23.68472 10.09698 26.78251 11.47648 -3.097784      15.28589 
1 1 1 9   36 11 o 35.90299 5.723399 68.31526       19.43887 8.645000       40.45049 86.23333       22.16615 22.63289 9.828841 40.39498 5.769785 -17.76209      11.39722 
1 1 1 9   36 12 o 38.27460 6.373485 78.86672       23.03848 0.000000       0.000000 78.86672       23.03848 ?        ?        38.27460 6.373485 ?              ?        
1 1 1 9   36 13 o 40.25473 4.934534 84.10134       19.03710 37.92000       33.15822 106.8087       23.25099 26.48744 9.738269 45.20883 5.358335 -18.72139      11.11511 
1 1 1 9   36 14 o 13.30408 6.032980 -7.293360      16.98834 -27.55000      29.38567 2.875367       20.82021 15.36339 7.284561 16.65802 7.141203 -1.294626      10.20106 
1 1 1 9   36 15 f 70.96243 3.486048 253.0437       24.13998 202.1000       41.84272 278.4589       29.55435 60.91101 7.154307 74.08951 4.091172 -13.17850      8.241468 
1 1 1 9   36 16 o 17.03474 6.643484 11.12202       15.98320 44.85000       27.29346 -6.481162      19.71782 27.85616 8.881766 14.54878 6.557719 13.30738       11.04036 
1 1 1 9   36 17 o 35.28606 5.020386 65.16995       16.85125 52.91000       28.71291 71.61141       20.81253 29.95653 9.039435 36.52483 6.031801 -6.568306      10.86711 
1 1 1 9   36 18 o 23.44397 7.295906 30.38820       18.52310 0.000000       0.000000 30.38820       18.52310 ?        ?        23.44397 7.295906 ?              ?        
1 1 1 9   36 19 o 82.16756 3.988596 342.6596       31.98360 346.1000       45.06014 339.1664       45.40512 81.08385 5.714023 80.15282 5.827150 0.9310303      8.161233 
1 1 1 9   36 20 o 65.66389 3.212983 216.3355       20.58831 262.0000       37.93697 197.2716       24.51200 70.63452 5.531138 62.25094 4.044682 8.383579       6.852221 
1 1 1 9   36 21 o 23.72483 6.071594 30.95090       14.15693 0.000000       0.000000 30.95090       14.15693 ?        ?        23.72483 6.071594 ?              ?        
1 1 1 9   36 22 o 18.02077 7.975290 -0.5254118     27.78602 0.000000       0.000000 -0.5254118     27.78602 ?        ?        18.02077 7.975290 ?              ?        
1 1 1 9   36 23 o 30.34434 12.46600 56.94000       59.38218 0.000000       0.000000 56.94000       59.38218 ?        ?        30.34434 12.46600 ?              ?        
1 1 1 9   36 24 o 39.50411 8.975013 94.08691       33.91227 0.000000       0.000000 94.08691       33.91227 ?        ?        39.50411 8.975013 ?              ?        
1 1 1 9   36 25 o 14.94923 7.062928 -22.06015      27.16120 0.000000       0.000000 -22.06015      27.16120 ?        ?        14.94923 7.062928 ?              ?        
1 1 1 9   36 26 o 24.31933 9.111443 32.82736       29.28176 0.000000       0.000000 32.82736       29.28176 ?        ?        24.31933 9.111443 ?              ?        
1 1 1 9   36 27 o 57.58153 6.574038 182.5700       36.38973 0.000000       0.000000 182.5700       36.38973 ?        ?        57.58153 6.574038 ?              ?        
1 1 1 9   36 28 o 50.33263 7.028237 141.8116       33.68316 0.000000       0.000000 141.8116       33.68316 ?        ?        50.33263 7.028237 ?              ?        
1 1 1 9   36 29 o 23.95966 9.021999 31.82276       28.78739 0.000000       0.000000 31.82276       28.78739 ?        ?        23.95966 9.021999 ?              ?        
1 1 1 9   36 30 o 39.53996 8.136140 92.38922       30.43830 0.000000       0.000000 92.38922       30.43830 ?        ?        39.53996 8.136140 ?              ?        
1 1 1 9   36 31 o 23.16041 8.899200 28.70642       28.36304 0.000000       0.000000 28.70642       28.36304 ?        ?        23.16041 8.899200 ?              ?        
1 1 1 9   36 32 o 21.62343 9.061558 18.04000       32.26517 0.000000       0.000000 18.04000       32.26517 ?        ?        21.62343 9.061558 ?              ?        
1 1 1 9   36 33 o 21.98003 9.335405 17.68000       34.99580 0.000000       0.000000 17.68000       34.99580 ?        ?        21.98003 9.335405 ?              ?        
1 1 1 9   36 34 o 26.44175 11.49683 35.60000       55.48392 0.000000       0.000000 35.60000       55.48392 ?        ?        26.44175 11.49683 ?              ?        
1 1 1 9   36 35 o 27.93192 9.070408 48.92949       28.37669 0.000000       0.000000 48.92949       28.37669 ?        ?        27.93192 9.070408 ?              ?        
1 1 1 9   36 36 o 18.31633 7.966100 5.945512       26.65330 0.000000       0.000000 5.945512       26.65330 ?        ?        18.31633 7.966100 ?              ?        
1 1 1 9   36 37 o 14.02335 6.795703 -35.40000      28.87885 0.000000       0.000000 -35.40000      28.87885 ?        ?        14.02335 6.795703 ?              ?        
1 1 1 9   36 38 o 12.48959 6.154000 -45.96000      26.76109 0.000000       0.000000 -45.96000      26.76109 ?        ?        12.48959 6.154000 ?              ?        
1 1 1 9   36 39 o 36.23239 9.450894 86.96000       33.86219 0.000000       0.000000 86.96000       33.86219 ?        ?        36.23239 9.450894 ?              ?        
1 1 1 9   37 0  o 27.01641 6.856074 40.33625       18.15771 7.604000       45.83218 46.43032       19.77590 23.49417 10.32631 28.92728 7.049685 -5.433107      12.50323 
1 1 1 9   37 1  o 14.98045 6.479754 0.4650974      17.43922 7.634000       45.65682 -0.7594760     18.86999 23.46309 10.30980 15.28301 6.673901 8.180073       12.28140 
1 1 1 9   37 2  o 40.00092 5.267004 83.64698       20.12183 18.38000       48.12843 97.47194       22.15067 25.20831 10.83291 43.17796 5.355807 -17.96965      12.08456 
1 1 1 9   37 3  o 20.48057 7.271615 20.90859       18.28747 47.93000       45.99799 15.83568       19.93030 29.34155 11.31764 19.36895 7.455341 9.972603       13.55253 
1 1 1 9   37 4  o 45.77349 4.809196 108.1747       21.22584 85.92000       48.69304 113.3956       23.58453 36.40563 11.88590 46.64563 5.256919 -10.24000      12.99653 
1 1 1 9   37 5  o 60.51018 4.365778 186.7558       25.68424 163.8000       51.45343 194.3741       29.64131 52.01971 10.46795 61.37190 4.976926 -9.352192      11.59085 
1 1 1 9   37 6  f 20.58486 7.775875 19.37906       21.42260 0.000000       0.000000 19.37906       21.42260 ?        ?        20.58486 7.775875 ?              ?        
1 1 1 9   37 7  o 23.17592 8.059371 28.46238       22.38343 0.000000       0.000000 28.46238       22.38343 ?        ?        23.17592 8.059371 ?              ?        
1 1 1 9   37 8  o 15.16385 7.277644 -35.98916      31.24625 -54.98000      39.30126 -3.361000      51.51464 16.06145 7.816527 23.21986 10.51997 -7.158401      13.10602 
1 1 1 9   37 9  o 33.45755 7.304492 62.51237       23.24914 50.63000       41.36963 67.99751       28.10762 29.44792 10.86865 34.28852 8.433928 -4.840593      13.75713 
1 1 1 9   37 10 o 32.30795 7.247408 58.35414       22.35348 0.000000       0.000000 58.35414       22.35348 ?        ?        32.30795 7.247408 ?              ?        
1 1 1 9   37 11 o 39.35764 5.283923 81.30457       19.84217 71.71000       40.78809 84.27908       22.71057 33.78779 10.86638 39.69246 6.035241 -5.904671      12.42990 
1 1 1 9   37 12 o 26.55704 7.211304 39.56155       19.22475 45.76000       37.69681 37.38278       22.34957 28.24369 10.38347 25.72265 8.015571 2.521040       13.11739 
1 1 1 9   37 13 o 68.31725 3.612429 235.3014       24.07074 228.9000       43.29502 238.1654       28.95895 64.93536 6.918014 68.28463 4.355352 -3.349274      8.174840 
1 1 1 9   37 14 o 16.47604 6.724771 7.839726       17.14018 -11.29000      28.22389 19.01716       21.57414 16.75016 7.664982 20.41415 7.781898 -3.663994      10.92291 
1 1 1 9   37 15 o 56.67977 3.826134 162.9665       21.10290 175.0000       36.64507 156.9958       25.81270 56.75481 6.727057 55.05374 4.839247 1.701077       8.286833 
1 1 1 9   37 16 o 37.01796 5.073366 71.98534       17.89982 88.04000       31.40783 64.26221       21.78381 38.84805 8.496757 34.07273 6.770257 4.775311       10.86422 
1 1 1 9   37 17 o 90.36087 3.273801 409.8469       28.90816 355.9000       49.76865 437.3155       35.51328 81.51251 6.286244 92.84762 3.916428 -11.33511      7.406435 
1 1 1 9   37 18 f 30.75202 6.747470 52.76866       19.75134 0.000000       0.000000 52.76866       19.75134 ?        ?        30.75202 6.747470 ?              ?        
1 1 1 9   37 19 o 16.31255 6.789789 6.423685       17.93377 26.33000       21.91068 -33.98000      31.21555 22.27242 7.953944 15.17507 7.280675 7.097352       10.78302 
1 1 1 9   37 20 o 73.62040 3.765898 275.0252       27.04753 0.000000       0.000000 275.0252       27.04753 ?        ?        73.62040 3.765898 ?              ?        
1 1 1 9   37 21 o 14.85540 5.352800 10.22974       9.947576 0.000000       0.000000 10.22974       9.947576 ?        ?        14.85540 5.352800 ?              ?        
1 1 1 9   37 22 o 24.51597 11.05818 11.65000       56.18335 0.000000       0.000000 11.65000       56.18335 ?        ?        24.51597 11.05818 ?              ?        
1 1 1 9   37 23 o 20.77561 8.670461 15.27710       29.35799 0.000000       0.000000 15.27710       29.35799 ?        ?        20.77561 8.670461 ?              ?        
1 1 1 9   37 24 o 37.56532 8.945348 86.37908       32.41811 0.000000       0.000000 86.37908       32.41811 ?        ?        37.56532 8.945348 ?              ?        
1 1 1 9   37 25 o 36.24134 8.826469 80.25645       31.01583 0.000000       0.000000 80.25645       31.01583 ?        ?        36.24134 8.826469 ?              ?        
1 1 1 9   37 26 o 35.58980 8.857828 77.50602       30.73467 0.000000       0.000000 77.50602       30.73467 ?        ?        35.58980 8.857828 ?              ?        
1 1 1 9   37 27 o 28.73347 9.134804 51.43688       28.88798 0.000000       0.000000 51.43688       28.88798 ?        ?        28.73347 9.134804 ?              ?        
1 1 1 9   37 28 o 16.53732 7.531537 -7.168023      26.83188 0.000000       0.000000 -7.168023      26.83188 ?        ?        16.53732 7.531537 ?              ?        
1 1 1 9   37 29 o 14.07561 6.720304 -25.57097      25.89913 0.000000       0.000000 -25.57097      25.89913 ?        ?        14.07561 6.720304 ?              ?        
1 1 1 9   37 30 o 50.19720 6.947388 141.7711       33.22149 0.000000       0.000000 141.7711       33.22149 ?        ?        50.19720 6.947388 ?              ?        
1 1 1 9   37 31 o 21.32641 8.973397 17.04000       31.84034 0.000000       0.000000 17.04000       31.84034 ?        ?        21.32641 8.973397 ?              ?        
1 1 1 9   37 32 o 14.77820 6.991521 -21.15420      26.78275 0.000000       0.000000 -21.15420      26.78275 ?        ?        14.77820 6.991521 ?              ?        
1 1 1 9   37 33 o 26.12234 11.35731 34.81000       54.13897 0.000000       0.000000 34.81000       54.13897 ?        ?        26.12234 11.35731 ?              ?        
1 1 1 9   37 34 o 14.27772 6.777857 -21.99589      25.58794 0.000000       0.000000 -21.99589      25.58794 ?        ?        14.27772 6.777857 ?              ?        
1 1 1 9   37 35 o 13.27142 6.505478 -44.16000      28.68670 0.000000       0.000000 -44.16000      28.68670 ?        ?        13.27142 6.505478 ?              ?        
1 1 1 9   37 36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   37 37 o 21.35431 8.841659 21.60000       30.18581 0.000000       0.000000 21.60000       30.18581 ?        ?        21.35431 8.841659 ?              ?        
1 1 1 9   37 38 o 18.89973 8.275551 8.414000       29.18573 0.000000       0.000000 8.414000       29.18573 ?        ?        18.89973 8.275551 ?              ?        
1 1 1 9   38 0  o 26.45045 6.825921 38.90858       17.79109 54.86000       44.02051 35.79439       19.45039 30.21297 11.20048 25.26452 7.395159 4.948454       13.42159 
1 1 1 9   38 1  o 43.18528 4.912007 96.89574       20.39496 49.13000       45.30528 109.0357       22.84013 29.22987 11.24320 45.68417 5.200172 -16.45430      12.38754 
1 1 1 9   38 2  o 21.37252 7.323113 23.98771       18.45496 -61.20000      42.49439 43.78976       20.48793 16.44104 8.029083 27.84949 7.393190 -11.40845      10.91446 
1 1 1 9   38 3  o 40.01283 5.763968 85.13069       21.92463 67.74000       44.83994 90.59467       25.13398 32.66086 11.40385 40.87904 6.498649 -8.218178      13.12556 
1 1 1 9   38 4  o 28.17606 7.359091 44.81723       20.51365 43.87000       41.96045 45.11472       23.51537 28.07604 10.81478 28.01118 8.111917 0.6485748E-01  13.51897 
1 1 1 9   38 5  o 37.50400 5.654285 74.75659       20.11228 4.619000       42.61536 94.85550       22.81271 22.29248 9.870748 42.32540 5.647212 -20.03291      11.37201 
1 1 1 9   38 6  o 19.36017 8.479021 2.513766       30.65344 4.540000       39.95005 -0.3869000     47.79927 21.74385 9.595662 22.68373 10.21859 -0.9398823     14.01772 
1 1 1 9   38 7  o 18.69502 8.317492 -1.908211      30.62169 0.000000       0.000000 -1.908211      30.62169 ?        ?        18.69502 8.317492 ?              ?        
1 1 1 9   38 8  o 11.39180 5.550612 -32.18543      19.98273 0.000000       0.000000 -32.18543      19.98273 ?        ?        11.39180 5.550612 ?              ?        
1 1 1 9   38 9  o 55.72608 4.277806 158.8913       23.15540 162.6000       46.71233 157.6831       26.66160 52.32067 9.469730 55.08165 4.999479 -2.760979      10.70844 
1 1 1 9   38 10 o 26.57545 8.006002 40.60753       22.53634 66.41000       40.61097 29.12590       27.09035 32.29465 10.86576 23.62646 8.781281 8.668188       13.97053 
1 1 1 9   38 11 o 33.90292 6.252752 62.68473       19.98555 59.30000       39.61394 63.84039       23.14731 30.76397 10.72021 33.66807 7.239184 -2.904100      12.93556 
1 1 1 9   38 12 f 46.21115 4.755012 110.8579       21.20161 60.62000       39.28124 131.5093       25.18506 31.03859 10.68226 50.08858 5.213048 -19.05000      11.88640 
1 1 1 9   38 13 o 52.27045 4.154702 139.8364       21.08224 138.5000       36.51114 140.5049       25.82192 49.46659 7.798640 51.79357 5.162050 -2.326984      9.352302 
1 1 1 9   38 14 o 26.81951 6.826900 40.47552       17.96503 20.70000       29.69289 51.89457       22.56334 22.06737 8.908028 29.99379 7.659426 -7.926420      11.74818 
1 1 1 9   38 15 o 58.02708 3.790994 171.1017       21.41438 171.7000       37.69627 170.8166       26.02068 55.70820 7.072278 57.43971 4.668282 -1.731514      8.474077 
1 1 1 9   38 16 o 19.50605 6.868404 19.49698       16.28819 25.96000       26.82376 15.72191       20.50051 22.70875 8.672178 19.21084 7.514731 3.497915       11.47510 
1 1 1 9   38 17 o 25.07058 6.609127 35.32296       16.44584 30.55000       27.43430 38.00025       20.54696 23.76398 8.835998 25.66142 7.624401 -1.897440      11.67075 
1 1 1 9   38 18 o 56.06593 4.859756 164.1400       26.40667 0.000000       0.000000 164.1400       26.40667 ?        ?        56.06593 4.859756 ?              ?        
1 1 1 9   38 19 o 35.95951 5.626665 69.79034       19.15602 53.67000       24.26026 96.48362       31.21830 30.04659 8.076129 40.52103 8.153523 -10.47443      11.47623 
1 1 1 9   38 20 o 20.48819 6.163247 23.13931       13.36288 0.000000       0.000000 23.13931       13.36288 ?        ?        20.48819 6.163247 ?              ?        
1 1 1 9   38 21 o 12.58498 5.129891 4.156038       9.958333 0.000000       0.000000 4.156038       9.958333 ?        ?        12.58498 5.129891 ?              ?        
1 1 1 9   38 22 o 24.63840 9.237536 34.69911       30.10900 0.000000       0.000000 34.69911       30.10900 ?        ?        24.63840 9.237536 ?              ?        
1 1 1 9   38 23 o 20.40504 8.665203 12.80155       30.14383 0.000000       0.000000 12.80155       30.14383 ?        ?        20.40504 8.665203 ?              ?        
1 1 1 9   38 24 o 33.63940 9.436510 71.67432       32.32590 0.000000       0.000000 71.67432       32.32590 ?        ?        33.63940 9.436510 ?              ?        
1 1 1 9   38 25 o 25.29791 9.190265 38.08220       29.39962 0.000000       0.000000 38.08220       29.39962 ?        ?        25.29791 9.190265 ?              ?        
1 1 1 9   38 26 o 35.30880 8.773279 76.73198       30.18755 0.000000       0.000000 76.73198       30.18755 ?        ?        35.30880 8.773279 ?              ?        
1 1 1 9   38 27 o 60.25312 6.169066 198.6090       35.87047 0.000000       0.000000 198.6090       35.87047 ?        ?        60.25312 6.169066 ?              ?        
1 1 1 9   38 28 o 50.60985 6.865073 143.9875       33.13237 0.000000       0.000000 143.9875       33.13237 ?        ?        50.60985 6.865073 ?              ?        
1 1 1 9   38 29 o 25.18632 9.713791 37.07000       33.88208 0.000000       0.000000 37.07000       33.88208 ?        ?        25.18632 9.713791 ?              ?        
1 1 1 9   38 30 f 27.30755 9.220196 47.01794       29.24131 0.000000       0.000000 47.01794       29.24131 ?        ?        27.30755 9.220196 ?              ?        
1 1 1 9   38 31 o 25.12159 11.11652 26.74000       53.96933 0.000000       0.000000 26.74000       53.96933 ?        ?        25.12159 11.11652 ?              ?        
1 1 1 9   38 32 o 16.13616 7.365054 -7.041752      25.84017 0.000000       0.000000 -7.041752      25.84017 ?        ?        16.13616 7.365054 ?              ?        
1 1 1 9   38 33 o 39.75915 8.057112 95.23268       30.28083 0.000000       0.000000 95.23268       30.28083 ?        ?        39.75915 8.057112 ?              ?        
1 1 1 9   38 34 o 24.06876 9.243642 34.57000       30.59063 0.000000       0.000000 34.57000       30.59063 ?        ?        24.06876 9.243642 ?              ?        
1 1 1 9   38 35 f 24.04309 9.201061 35.28000       30.23689 0.000000       0.000000 35.28000       30.23689 ?        ?        24.04309 9.201061 ?              ?        
1 1 1 9   38 36 o 20.16236 8.558755 15.86000       29.38788 0.000000       0.000000 15.86000       29.38788 ?        ?        20.16236 8.558755 ?              ?        
1 1 1 9   39 0  o 17.12945 6.857091 10.32785       17.43787 20.05000       40.79000 8.153691       19.28939 23.78938 10.09023 17.14316 7.080121 6.646215       12.32643 
1 1 1 9   39 1  o 62.38768 3.891150 197.8472       23.64370 183.2000       50.52199 201.9547       26.75429 55.09752 9.723228 62.72283 4.385371 -7.625309      10.66643 
1 1 1 9   39 2  o 29.83237 7.290446 50.58266       21.10528 48.41000       44.02729 51.23088       24.04848 28.63764 11.06550 29.63906 8.072611 -1.001423      13.69716 
1 1 1 9   39 3  o 30.83541 7.231863 53.87185       21.44753 90.56000       44.54586 42.80054       24.47057 36.98195 11.28001 27.08148 8.378916 9.900465       14.05151 
1 1 1 9   39 4  o 18.18035 7.396640 11.04638       20.65643 -46.50000      41.49163 30.00920       23.81788 17.03761 8.229547 23.46882 8.301891 -6.431211      11.68960 
1 1 1 9   39 5  o 35.28143 9.080947 75.07104       31.54422 0.000000       0.000000 75.07104       31.54422 ?        ?        35.28143 9.080947 ?              ?        
1 1 1 9   39 6  o 24.19225 8.515833 32.48767       25.03749 -2.519000      40.83809 53.57076       31.69254 20.85379 9.415096 29.62307 9.583050 -8.769279      13.43424 
1 1 1 9   39 7  f 37.67514 5.668277 76.00394       20.25614 51.68000       42.07975 83.34034       23.10986 29.06886 10.91595 39.14328 6.241037 -10.07443      12.57412 
1 1 1 9   39 8  o 29.79559 7.587952 51.17736       22.18657 0.000000       0.000000 51.17736       22.18657 ?        ?        29.79559 7.587952 ?              ?        
1 1 1 9   39 9  o 28.32700 7.165085 45.71293       19.87744 37.90000       38.24941 48.60363       23.26585 26.25098 10.26580 28.82523 7.976013 -2.574249      13.00013 
1 1 1 9   39 10 o 45.90509 5.540006 112.0390       24.39021 124.2000       39.89897 104.7832       30.81909 45.35437 9.299901 42.94373 7.610425 2.410641       12.01694 
1 1 1 9   39 11 o 61.09199 4.570273 192.8837       27.13150 187.8000       43.81111 196.0462       34.55505 57.29621 8.032131 60.54675 5.905593 -3.250542      9.969511 
1 1 1 9   39 12 o 19.50365 7.154932 18.80871       17.88368 42.60000       30.67892 6.563076       22.01009 26.77990 9.426544 17.51121 7.419010 9.268688       11.99589 
1 1 1 9   39 13 o 15.78487 6.629416 5.317621       17.32817 -41.34000      28.98531 31.26708       21.61627 13.78179 6.708370 23.52122 7.927417 -9.739429      10.38490 
1 1 1 9   39 14 o 30.55851 6.399482 52.00435       18.52732 64.49000       30.65781 44.82105       23.25399 32.22464 9.240973 27.51444 8.094757 4.710192       12.28498 
1 1 1 9   39 15 o 36.70192 5.263714 71.89632       18.36928 49.75000       29.92563 85.28580       23.26883 28.34315 9.321654 39.40530 6.240371 -11.06216      11.21764 
1 1 1 9   39 16 o 19.22781 7.034754 18.58840       17.26993 6.061000       26.61082 27.70390       22.69958 18.50922 8.005214 22.45759 8.086741 -3.948366      11.37888 
1 1 1 9   39 17 o 49.80070 4.172711 127.9144       20.15358 129.2000       32.04519 127.0732       25.92178 47.92925 7.040233 48.72115 5.533420 -0.7919006     8.954531 
1 1 1 9   39 18 o 71.42979 4.124715 262.3466       28.71630 0.000000       0.000000 262.3466       28.71630 ?        ?        71.42979 4.124715 ?              ?        
1 1 1 9   39 19 o 35.49572 7.672184 73.73108       25.87783 0.000000       0.000000 73.73108       25.87783 ?        ?        35.49572 7.672184 ?              ?        
1 1 1 9   39 20 o 48.41966 3.485839 119.1985       16.41039 0.000000       0.000000 119.1985       16.41039 ?        ?        48.41966 3.485839 ?              ?        
1 1 1 9   39 21 o 22.09308 8.891989 22.94574       29.49035 0.000000       0.000000 22.94574       29.49035 ?        ?        22.09308 8.891989 ?              ?        
1 1 1 9   39 22 o 25.19794 9.254891 37.77017       29.93603 0.000000       0.000000 37.77017       29.93603 ?        ?        25.19794 9.254891 ?              ?        
1 1 1 9   39 23 o 32.96389 9.249551 68.91360       31.05320 0.000000       0.000000 68.91360       31.05320 ?        ?        32.96389 9.249551 ?              ?        
1 1 1 9   39 24 o 21.29949 8.711306 19.91368       28.83504 0.000000       0.000000 19.91368       28.83504 ?        ?        21.29949 8.711306 ?              ?        
1 1 1 9   39 25 o 24.67122 9.250694 35.62633       30.19631 0.000000       0.000000 35.62633       30.19631 ?        ?        24.67122 9.250694 ?              ?        
1 1 1 9   39 26 o 16.72521 7.689721 -9.522371      28.86372 0.000000       0.000000 -9.522371      28.86372 ?        ?        16.72521 7.689721 ?              ?        
1 1 1 9   39 27 o 36.95461 8.732401 84.30892       31.08276 0.000000       0.000000 84.30892       31.08276 ?        ?        36.95461 8.732401 ?              ?        
1 1 1 9   39 28 o 23.05256 9.329812 27.31000       32.66570 0.000000       0.000000 27.31000       32.66570 ?        ?        23.05256 9.329812 ?              ?        
1 1 1 9   39 29 o 19.92617 8.345962 14.60292       27.34872 0.000000       0.000000 14.60292       27.34872 ?        ?        19.92617 8.345962 ?              ?        
1 1 1 9   39 30 o 20.51965 9.764052 -23.61000      53.73101 0.000000       0.000000 -23.61000      53.73101 ?        ?        20.51965 9.764052 ?              ?        
1 1 1 9   39 31 f 25.87635 9.661345 42.51000       32.86492 0.000000       0.000000 42.51000       32.86492 ?        ?        25.87635 9.661345 ?              ?        
1 1 1 9   39 32 o 57.30327 7.783997 195.0000       42.53266 0.000000       0.000000 195.0000       42.53266 ?        ?        57.30327 7.783997 ?              ?        
1 1 1 9   39 33 o 28.74944 9.692260 56.48000       32.31223 0.000000       0.000000 56.48000       32.31223 ?        ?        28.74944 9.692260 ?              ?        
1 1 1 9   39 34 o 20.70645 8.656908 19.33000       29.34336 0.000000       0.000000 19.33000       29.34336 ?        ?        20.70645 8.656908 ?              ?        
1 1 1 9   40 0  o 48.31312 4.566281 121.0743       21.33783 110.7000       46.34068 123.8657       24.03768 40.65134 11.25978 48.51439 5.140023 -7.863049      12.37750 
1 1 1 9   40 1  o 17.88103 7.247097 11.16264       19.74142 -32.78000      41.49613 24.01763       22.44401 17.96225 8.556589 21.61041 8.000131 -3.648163      11.71398 
1 1 1 9   40 2  o 13.29334 6.073002 -8.151332      17.62085 -23.63000      41.50615 -4.748261      19.46172 18.73598 8.814800 14.58528 6.549551 4.150698       10.98168 
1 1 1 9   40 3  f 22.94064 7.797223 29.31828       20.91423 0.000000       0.000000 29.31828       20.91423 ?        ?        22.94064 7.797223 ?              ?        
1 1 1 9   40 4  o 39.09789 7.126174 86.11848       26.26744 146.7000       44.30631 53.28452       32.61798 48.91965 9.595831 29.25468 9.736238 19.66498       13.67020 
1 1 1 9   40 5  o 31.79621 6.552195 56.42122       19.71383 27.16000       42.72840 64.33443       22.22015 24.74708 10.40281 33.75945 6.955797 -9.012367      12.51406 
1 1 1 9   40 6  o 30.34340 6.836033 52.07081       19.81495 38.32000       40.49679 56.39917       22.72050 26.26208 10.47086 31.19627 7.527641 -4.934183      12.89590 
1 1 1 9   40 7  o 47.80097 4.710830 119.2512       21.75531 111.2000       41.28057 122.3473       25.59874 41.66932 10.20386 47.84958 5.569536 -6.180260      11.62491 
1 1 1 9   40 8  o 26.92603 7.048501 41.56614       18.79076 61.05000       33.90147 32.92577       22.57601 30.89734 9.903741 23.96298 8.101470 6.934357       12.79523 
1 1 1 9   40 9  o 37.71012 6.852108 79.92857       24.36096 0.000000       0.000000 79.92857       24.36096 ?        ?        37.71012 6.852108 ?              ?        
1 1 1 9   40 10 o 11.81244 5.639071 -20.16338      18.22380 -46.49000      34.75304 -10.17870      21.40240 15.04000 7.326352 14.37927 6.614968 0.6607285      9.870828 
1 1 1 9   40 11 o 43.64896 5.881916 103.4545       24.49137 57.02000       39.77581 131.8094       31.08227 29.44345 10.69068 48.66217 6.703427 -19.21872      12.61850 
1 1 1 9   40 12 o 26.50400 7.067245 40.53236       18.66928 33.21000       32.25995 44.21958       22.89219 24.46813 9.467259 27.22097 8.037642 -2.752836      12.41905 
1 1 1 9   40 13 o 38.55075 5.321907 79.60192       19.54681 40.11000       30.90679 105.9283       25.23452 25.85204 9.418240 44.06346 6.006985 -18.21142      11.17082 
1 1 1 9   40 14 o 43.88248 4.615482 100.8538       19.52860 115.4000       32.53619 92.66258       24.41559 44.54940 7.742221 40.94502 6.293111 3.604382       9.977236 
1 1 1 9   40 15 o 26.80379 6.897612 41.37408       18.20167 10.68000       27.32687 65.85068       24.40271 19.37183 8.239311 33.48587 7.617452 -14.11405      11.22104 
1 1 1 9   40 16 o 43.23417 4.403434 97.38488       18.37499 72.99000       29.03791 113.6771       23.73046 34.51831 8.620609 46.09938 5.358779 -11.58107      10.15044 
1 1 1 9   40 17 o 21.76264 7.233025 26.59795       18.00308 19.58000       24.32992 35.09052       26.76423 20.57750 8.144515 24.49899 8.786021 -3.921492      11.98029 
1 1 1 9   40 18 o 24.53203 7.709296 35.33370       20.62951 0.000000       0.000000 35.33370       20.62951 ?        ?        24.53203 7.709296 ?              ?        
1 1 1 9   40 19 o 34.03447 6.503646 65.18487       20.87652 0.000000       0.000000 65.18487       20.87652 ?        ?        34.03447 6.503646 ?              ?        
1 1 1 9   40 20 o 29.12750 4.756409 45.19047       13.09333 0.000000       0.000000 45.19047       13.09333 ?        ?        29.12750 4.756409 ?              ?        
1 1 1 9   40 21 o 18.91963 8.207980 7.357703       28.15074 0.000000       0.000000 7.357703       28.15074 ?        ?        18.91963 8.207980 ?              ?        
1 1 1 9   40 22 o 28.48316 9.290592 51.72693       29.75362 0.000000       0.000000 51.72693       29.75362 ?        ?        28.48316 9.290592 ?              ?        
1 1 1 9   40 23 o 30.42519 9.319938 59.51912       30.36773 0.000000       0.000000 59.51912       30.36773 ?        ?        30.42519 9.319938 ?              ?        
1 1 1 9   40 24 o 24.16221 9.103311 33.89239       29.31763 0.000000       0.000000 33.89239       29.31763 ?        ?        24.16221 9.103311 ?              ?        
1 1 1 9   40 25 o 44.65163 7.935035 118.1893       33.41035 0.000000       0.000000 118.1893       33.41035 ?        ?        44.65163 7.935035 ?              ?        
1 1 1 9   40 26 o 34.64822 10.53369 83.27000       38.88874 0.000000       0.000000 83.27000       38.88874 ?        ?        34.64822 10.53369 ?              ?        
1 1 1 9   40 27 o 20.45704 8.572002 16.22563       28.86914 0.000000       0.000000 16.22563       28.86914 ?        ?        20.45704 8.572002 ?              ?        
1 1 1 9   40 28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   40 29 o 24.77345 9.558292 37.63000       32.81522 0.000000       0.000000 37.63000       32.81522 ?        ?        24.77345 9.558292 ?              ?        
1 1 1 9   40 30 o 44.88620 8.869504 127.1000       37.58656 0.000000       0.000000 127.1000       37.58656 ?        ?        44.88620 8.869504 ?              ?        
1 1 1 9   40 31 o 15.92615 7.440629 -13.23000      28.70652 0.000000       0.000000 -13.23000      28.70652 ?        ?        15.92615 7.440629 ?              ?        
1 1 1 9   40 32 o 17.47569 7.878883 0.1043000      28.48274 0.000000       0.000000 0.1043000      28.48274 ?        ?        17.47569 7.878883 ?              ?        
1 1 1 9   41 0  o 22.92463 10.00733 16.64000       42.39492 0.000000       0.000000 16.64000       42.39492 ?        ?        22.92463 10.00733 ?              ?        
1 1 1 9   41 1  o 48.12361 4.626023 121.1049       21.52263 134.6000       47.18441 117.5594       24.18522 44.83164 10.86692 46.90440 5.364170 -2.072765      12.11876 
1 1 1 9   41 2  o 18.18704 7.176126 13.93796       18.83492 -31.59000      42.00537 25.39519       21.07199 17.93801 8.562768 21.61405 7.790346 -3.676043      11.57629 
1 1 1 9   41 3  f 28.61759 8.388555 49.79688       25.01156 90.92000       41.74665 26.77001       31.23893 36.44452 10.87750 23.03698 9.192645 13.40754       14.24165 
1 1 1 9   41 4  o 34.50727 6.088307 65.70412       19.81283 3.259000       39.98819 86.02123       22.80938 20.88320 9.382102 39.58505 6.080941 -18.70185      11.18042 
1 1 1 9   41 5  o 28.54620 6.910531 46.78586       19.10019 47.11000       38.75884 46.68189       21.95058 27.41515 10.43532 28.05563 7.741190 -0.6404839     12.99315 
1 1 1 9   41 6  o 32.95210 6.269934 60.46898       19.48464 54.09000       39.29154 62.54923       22.43791 28.74308 10.59502 32.94420 7.162865 -4.201124      12.78910 
1 1 1 9   41 7  f 19.40294 7.237696 18.81961       18.43565 16.43000       37.74436 19.56831       21.12725 22.15636 9.558039 20.03202 7.684834 2.124340       12.26429 
1 1 1 9   41 8  o 11.82134 5.650280 -20.48635      18.41622 34.17000       35.57651 -40.49334      21.52454 24.75933 9.832959 11.14856 5.498176 13.61076       11.26575 
1 1 1 9   41 9  o 19.53414 7.759293 16.89083       22.15735 0.000000       0.000000 16.89083       22.15735 ?        ?        19.53414 7.759293 ?              ?        
1 1 1 9   41 10 o 22.42194 8.075483 28.11928       22.63772 0.000000       0.000000 28.11928       22.63772 ?        ?        22.42194 8.075483 ?              ?        
1 1 1 9   41 11 o 19.26268 7.588670 16.62120       21.03338 8.569000       35.71486 20.89694       26.02537 20.68528 9.102809 21.07900 8.397432 -0.3937225     12.38459 
1 1 1 9   41 12 o 19.64332 7.413654 19.12716       19.46342 33.36000       28.48982 6.670626       26.65279 24.11593 8.997052 18.51408 8.009422 5.601845       12.04565 
1 1 1 9   41 13 o 23.68776 7.340960 32.53628       18.77452 40.19000       28.32367 26.53780       25.07460 25.73249 9.057508 22.24472 8.410422 3.487768       12.36016 
1 1 1 9   41 14 o 42.90166 5.169168 98.23831       21.27014 55.40000       31.90562 132.5074       28.53660 29.27164 9.624995 49.18154 6.055512 -19.90990      11.37144 
1 1 1 9   41 15 o 50.22684 4.192829 130.7472       20.42551 116.1000       32.41531 140.3926       26.30463 44.54894 7.712911 51.21180 5.325215 -6.662857      9.372668 
1 1 1 9   41 16 o 55.61810 5.703583 167.4064       30.61121 182.5000       35.83983 126.7000       58.85752 57.29519 6.505641 39.69019 13.07386 17.60500       14.60305 
1 1 1 9   41 17 o 36.45208 6.424427 74.50768       22.08532 0.000000       0.000000 74.50768       22.08532 ?        ?        36.45208 6.424427 ?              ?        
1 1 1 9   41 18 o 30.12996 7.212401 53.11637       20.98775 0.000000       0.000000 53.11637       20.98775 ?        ?        30.12996 7.212401 ?              ?        
1 1 1 9   41 19 o 19.16219 7.257046 18.11779       18.68710 0.000000       0.000000 18.11779       18.68710 ?        ?        19.16219 7.257046 ?              ?        
1 1 1 9   41 20 o 23.40619 6.663382 31.48524       15.99709 0.000000       0.000000 31.48524       15.99709 ?        ?        23.40619 6.663382 ?              ?        
1 1 1 9   41 21 o 42.25734 7.974038 106.2155       31.77380 0.000000       0.000000 106.2155       31.77380 ?        ?        42.25734 7.974038 ?              ?        
1 1 1 9   41 22 o 17.94080 8.027690 0.2444153      28.95462 0.000000       0.000000 0.2444153      28.95462 ?        ?        17.94080 8.027690 ?              ?        
1 1 1 9   41 23 o 14.26921 6.862865 -29.69270      28.12610 0.000000       0.000000 -29.69270      28.12610 ?        ?        14.26921 6.862865 ?              ?        
1 1 1 9   41 24 o 26.29297 9.204997 43.84502       29.22697 0.000000       0.000000 43.84502       29.22697 ?        ?        26.29297 9.204997 ?              ?        
1 1 1 9   41 25 o 20.81483 8.945868 14.78000       32.82821 0.000000       0.000000 14.78000       32.82821 ?        ?        20.81483 8.945868 ?              ?        
1 1 1 9   41 26 o 23.49310 9.492171 30.79000       33.74881 0.000000       0.000000 30.79000       33.74881 ?        ?        23.49310 9.492171 ?              ?        
1 1 1 9   41 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   41 28 o 20.30142 8.775167 14.26000       31.93851 0.000000       0.000000 14.26000       31.93851 ?        ?        20.30142 8.775167 ?              ?        
1 1 1 9   41 29 o 23.23964 9.258638 32.14000       31.63873 0.000000       0.000000 32.14000       31.63873 ?        ?        23.23964 9.258638 ?              ?        
1 1 1 9   41 30 o 33.42884 9.645754 77.20000       33.30479 0.000000       0.000000 77.20000       33.30479 ?        ?        33.42884 9.645754 ?              ?        
1 1 1 9   42 0  o 19.73679 7.514599 19.24612       20.10216 43.50000       39.50973 10.77457       23.35042 26.56761 10.42058 18.44104 7.717017 8.126566       12.96691 
1 1 1 9   42 1  o 38.84270 8.983919 93.87204       33.47672 81.72000       41.90760 115.3000       55.64917 34.08554 11.01917 38.36817 12.71560 -4.282635      16.82583 
1 1 1 9   42 2  o 21.14266 8.276072 22.09437       24.87902 -21.13000      38.72654 52.47020       32.46448 17.98257 8.477045 28.50644 9.714130 -10.52388      12.89281 
1 1 1 9   42 3  o 31.36089 9.120648 62.37415       29.67013 65.61000       41.37903 58.95000       42.56595 30.77311 10.93692 29.41201 10.99242 1.361101       15.50644 
1 1 1 9   42 4  o 25.14263 7.297137 37.00771       19.00978 38.41000       40.45111 36.61023       21.53604 25.75260 10.39672 24.83722 7.886163 0.9153767      13.04926 
1 1 1 9   42 5  o 18.54547 7.183903 15.74126       18.59126 12.61000       37.90629 16.73303       21.33328 21.57542 9.439568 19.32438 7.633401 2.251036       12.13978 
1 1 1 9   42 6  o 23.65649 7.402935 32.58119       19.04256 -5.249000      37.10971 46.10292       22.18628 19.22248 8.793621 27.73713 7.830709 -8.514650      11.77488 
1 1 1 9   42 7  o 45.42226 4.792664 108.8191       20.98759 145.4000       41.64463 96.36499       24.29902 48.50924 9.104891 41.80668 6.119118 6.702557       10.97008 
1 1 1 9   42 8  o 18.15742 7.164272 14.23168       18.77235 6.128000       37.78270 16.88786       21.63122 20.64842 9.209434 19.37942 7.676616 1.268997       11.98933 
1 1 1 9   42 9  o 20.86083 7.390320 23.91845       18.88036 23.24000       35.18233 24.19286       22.37515 22.65845 9.476521 21.27503 7.966002 1.383415       12.37989 
1 1 1 9   42 10 f 22.41747 8.042961 28.53329       22.43123 0.000000       0.000000 28.53329       22.43123 ?        ?        22.41747 8.042961 ?              ?        
1 1 1 9   42 11 o 21.64486 7.455407 26.45422       19.13512 -16.95000      33.24343 47.96054       23.40038 17.00202 7.963943 28.06599 8.081269 -11.06397      11.34598 
1 1 1 9   42 12 o 22.84191 7.882498 30.18487       21.39382 45.45000       28.29232 9.801000       32.69352 26.89672 9.069347 20.17398 8.797643 6.722740       12.63533 
1 1 1 9   42 13 o 30.69467 6.508395 53.57328       18.94694 40.96000       30.29262 61.67844       24.28307 25.71292 9.330563 32.05643 7.811577 -6.343510      12.16882 
1 1 1 9   42 14 o 25.29754 7.817245 38.41422       21.30754 29.76000       28.08098 50.15939       32.71358 23.08056 8.858337 27.76041 9.737106 -4.679844      13.16364 
1 1 1 9   42 15 f 51.29362 4.885490 139.3023       24.23299 137.0000       33.86595 141.7180       34.69016 48.70625 7.330534 49.49158 7.386710 -0.7853241     10.40674 
1 1 1 9   42 16 o 43.69655 5.901324 104.8471       24.59617 0.000000       0.000000 104.8471       24.59617 ?        ?        43.69655 5.901324 ?              ?        
1 1 1 9   42 17 o 63.31976 3.684523 205.1981       22.73770 0.000000       0.000000 205.1981       22.73770 ?        ?        63.31976 3.684523 ?              ?        
1 1 1 9   42 18 o 30.16102 7.218785 53.46580       21.02731 0.000000       0.000000 53.46580       21.02731 ?        ?        30.16102 7.218785 ?              ?        
1 1 1 9   42 19 o 21.97752 7.222079 27.88696       17.96457 0.000000       0.000000 27.88696       17.96457 ?        ?        21.97752 7.222079 ?              ?        
1 1 1 9   42 20 o 23.64931 8.999673 32.73052       28.82349 0.000000       0.000000 32.73052       28.82349 ?        ?        23.64931 8.999673 ?              ?        
1 1 1 9   42 21 f 40.03003 9.783918 105.8000       38.00692 0.000000       0.000000 105.8000       38.00692 ?        ?        40.03003 9.783918 ?              ?        
1 1 1 9   42 22 o 16.32323 7.708971 -20.07000      32.29675 0.000000       0.000000 -20.07000      32.29675 ?        ?        16.32323 7.708971 ?              ?        
1 1 1 9   42 23 o 17.13005 7.922827 -9.402000      31.29839 0.000000       0.000000 -9.402000      31.29839 ?        ?        17.13005 7.922827 ?              ?        
1 1 1 9   42 24 o 19.51244 8.605276 8.270000       32.07911 0.000000       0.000000 8.270000       32.07911 ?        ?        19.51244 8.605276 ?              ?        
1 1 1 9   42 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   42 26 o 20.70575 8.858066 17.60000       31.91314 0.000000       0.000000 17.60000       31.91314 ?        ?        20.70575 8.858066 ?              ?        
1 1 1 9   42 27 o 35.52206 9.777567 87.95000       35.06595 0.000000       0.000000 87.95000       35.06595 ?        ?        35.52206 9.777567 ?              ?        
1 1 1 9   42 28 f 19.90504 8.620632 14.54000       30.94400 0.000000       0.000000 14.54000       30.94400 ?        ?        19.90504 8.620632 ?              ?        
1 1 1 9   43 0  f 16.94491 7.508249 0.9025453      24.70006 -9.969000      38.00968 8.849244       32.49690 18.78443 8.703034 19.94856 8.733650 -1.164125      12.32962 
1 1 1 9   43 1  o 38.89073 6.249978 84.35262       22.98610 82.27000       41.75174 85.25840       27.53461 33.92930 11.00109 37.97185 7.672500 -4.042549      13.41236 
1 1 1 9   43 2  o 14.22952 6.444960 -5.377948      19.31822 -27.13000      37.40066 2.537028       22.56077 17.04292 8.119979 16.61913 7.276469 0.4237938      10.90326 
1 1 1 9   43 3  o 19.89464 7.286763 20.90634       18.53726 37.64000       38.85204 15.97416       21.09298 25.30094 10.19809 19.00413 7.563506 6.296808       12.69676 
1 1 1 9   43 4  o 32.40644 6.481729 59.57507       19.84153 67.08000       39.29106 57.00608       22.98799 30.95120 10.68228 30.87144 7.647341 0.7976532E-01  13.13747 
1 1 1 9   43 5  o 21.20285 7.617817 24.93621       20.13034 26.61000       36.51888 24.20563       24.12690 23.25127 9.684342 21.40175 8.211777 1.849516       12.69723 
1 1 1 9   43 6  o 33.02918 9.083883 69.91537       30.28100 45.93000       39.95073 102.3000       46.42170 26.72800 10.48003 37.21409 11.54500 -10.48610      15.59224 
1 1 1 9   43 7  o 19.48982 7.298799 19.46049       18.78563 6.020000       35.47814 24.69692       22.14476 20.08042 8.942160 21.30233 7.935140 -1.221905      11.95528 
1 1 1 9   43 8  o 38.49146 5.680977 81.09210       20.76141 59.80000       37.36324 90.60288       24.97142 29.51495 10.40176 40.01722 6.605406 -10.50226      12.32185 
1 1 1 9   43 9  o 39.28352 5.606119 84.19592       20.94574 65.17000       38.36816 92.27333       24.99967 30.58052 10.55600 40.44383 6.537993 -9.863308      12.41671 
1 1 1 9   43 10 o 43.32189 5.492547 101.7660       22.76821 68.51000       36.76394 122.4569       28.99862 31.52199 10.33006 46.69112 6.522842 -15.16913      12.21710 
1 1 1 9   43 11 o 24.42009 8.707801 36.07608       26.25100 0.000000       0.000000 36.07608       26.25100 ?        ?        24.42009 8.707801 ?              ?        
1 1 1 9   43 12 o 34.19995 6.733354 66.99741       21.73780 97.39000       31.62778 39.78654       29.92651 39.93400 8.359934 25.33479 9.261810 14.59921       12.47676 
1 1 1 9   43 13 o 19.94077 7.700002 19.84030       21.30854 23.51000       27.59356 14.41901       33.53853 21.61976 8.635467 20.89264 9.011317 0.7271175      12.48099 
1 1 1 9   43 14 o 27.97659 6.797245 45.46650       18.42775 19.82000       28.31816 64.30363       24.26937 20.96783 8.610685 32.73180 7.703935 -11.76397      11.55398 
1 1 1 9   43 15 o 39.21881 6.896371 88.50089       25.50810 0.000000       0.000000 88.50089       25.50810 ?        ?        39.21881 6.896371 ?              ?        
1 1 1 9   43 16 o 23.80318 7.160204 33.47271       18.03589 0.000000       0.000000 33.47271       18.03589 ?        ?        23.80318 7.160204 ?              ?        
1 1 1 9   43 17 o 22.80577 6.961625 30.40802       16.96274 0.000000       0.000000 30.40802       16.96274 ?        ?        22.80577 6.961625 ?              ?        
1 1 1 9   43 18 o 20.05859 7.643131 20.86431       20.80601 0.000000       0.000000 20.86431       20.80601 ?        ?        20.05859 7.643131 ?              ?        
1 1 1 9   43 19 o 34.73433 9.923265 82.24000       35.41657 0.000000       0.000000 82.24000       35.41657 ?        ?        34.73433 9.923265 ?              ?        
1 1 1 9   43 20 o 32.56173 10.24457 74.89000       36.41865 0.000000       0.000000 74.89000       36.41865 ?        ?        32.56173 10.24457 ?              ?        
1 1 1 9   43 21 o 22.10483 9.103911 25.18000       31.77468 0.000000       0.000000 25.18000       31.77468 ?        ?        22.10483 9.103911 ?              ?        
1 1 1 9   43 22 o 16.96690 7.774314 -5.204000      29.16145 0.000000       0.000000 -5.204000      29.16145 ?        ?        16.96690 7.774314 ?              ?        
1 1 1 9   43 23 o 29.35389 9.832203 60.85000       33.25549 0.000000       0.000000 60.85000       33.25549 ?        ?        29.35389 9.832203 ?              ?        
1 1 1 9   43 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   43 25 o 12.92583 6.368504 -45.66000      28.64239 0.000000       0.000000 -45.66000      28.64239 ?        ?        12.92583 6.368504 ?              ?        
1 1 1 9   44 0  o 17.10516 7.214721 8.182946       20.66257 0.000000       0.000000 8.182946       20.66257 ?        ?        17.10516 7.214721 ?              ?        
1 1 1 9   44 1  o 40.85551 5.392151 90.52269       21.03755 68.53000       43.42778 97.26616       24.04752 30.61818 11.16272 41.87225 6.041853 -11.25407      12.69292 
1 1 1 9   44 2  o 15.51822 6.822330 0.9964172      20.01649 9.602000       39.83587 -1.910180      23.15136 21.18908 9.453079 15.99178 7.165235 5.197296       11.86176 
1 1 1 9   44 3  o 28.03922 7.747437 47.70959       21.96892 74.92000       43.70031 38.50715       25.41374 31.83660 11.24674 24.99468 8.592584 6.841923       14.15351 
1 1 1 9   44 4  o 18.29859 7.194517 15.14278       18.87218 63.70000       41.20747 2.254986       21.22943 29.86654 10.87590 16.11861 7.057885 13.74794       12.96530 
1 1 1 9   44 5  o 19.87053 7.335361 20.94896       18.84572 71.67000       38.30422 4.749953       21.64695 31.86483 10.54908 16.69405 7.220119 15.17078       12.78332 
1 1 1 9   44 6  o 38.29378 5.747922 80.69041       20.88046 70.66000       40.80812 84.24784       24.30279 31.30000 10.88220 38.41323 6.707445 -7.113234      12.78328 
1 1 1 9   44 7  o 18.82679 7.305181 16.95227       19.24885 -7.345000      38.15703 25.24621       22.29340 18.95841 8.761221 21.38395 7.962469 -2.425533      11.83891 
1 1 1 9   44 8  o 24.61337 7.925451 36.78060       21.69310 13.67000       38.70758 47.36323       26.19312 21.47490 9.462405 27.30811 8.700206 -5.833210      12.85421 
1 1 1 9   44 9  o 27.71303 9.281842 50.31873       29.63678 23.89000       37.61878 93.56000       48.11890 22.71942 9.665280 34.62992 11.82598 -11.91050      15.27323 
1 1 1 9   44 10 o 27.56136 7.303903 45.44874       20.01821 65.50000       37.69447 37.57228       23.62502 30.39038 10.46408 24.69910 8.287331 5.691280       13.34829 
1 1 1 9   44 11 f 30.93460 10.40658 67.77396       37.25121 0.000000       0.000000 67.77396       37.25121 ?        ?        30.93460 10.40658 ?              ?        
1 1 1 9   44 12 o 43.18023 5.269506 100.9216       21.81129 70.63000       31.61489 128.4351       30.13027 32.61651 9.393725 47.49772 6.663780 -14.88121      11.51729 
1 1 1 9   44 13 o 45.69390 5.788098 114.9817       25.30816 108.1000       33.14773 124.6000       39.18809 41.89136 8.376861 43.87486 9.407408 -1.983498      12.59647 
1 1 1 9   44 14 o 18.28202 7.317577 14.57664       19.85608 0.000000       0.000000 14.57664       19.85608 ?        ?        18.28202 7.317577 ?              ?        
1 1 1 9   44 15 o 19.94971 7.475368 21.29362       19.71150 0.000000       0.000000 21.29362       19.71150 ?        ?        19.94971 7.475368 ?              ?        
1 1 1 9   44 16 o 31.30540 6.626951 56.86617       19.67298 0.000000       0.000000 56.86617       19.67298 ?        ?        31.30540 6.626951 ?              ?        
1 1 1 9   44 17 o 11.96838 5.580081 -10.63002      16.01116 0.000000       0.000000 -10.63002      16.01116 ?        ?        11.96838 5.580081 ?              ?        
1 1 1 9   44 18 o 25.12849 9.638513 41.38000       33.23146 0.000000       0.000000 41.38000       33.23146 ?        ?        25.12849 9.638513 ?              ?        
1 1 1 9   44 19 o 17.03794 7.883164 -7.717000      31.02846 0.000000       0.000000 -7.717000      31.02846 ?        ?        17.03794 7.883164 ?              ?        
1 1 1 9   44 20 o 14.46983 6.987402 -30.19000      29.86310 0.000000       0.000000 -30.19000      29.86310 ?        ?        14.46983 6.987402 ?              ?        
1 1 1 9   44 21 o 20.94682 8.901919 20.70000       31.85397 0.000000       0.000000 20.70000       31.85397 ?        ?        20.94682 8.901919 ?              ?        
1 1 1 9   44 22 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   45 0  o 55.30699 4.409297 160.6559       23.67268 110.4000       48.49444 176.3780       27.12397 37.64635 11.81849 57.55003 4.860456 -19.90368      12.77892 
1 1 1 9   45 1  o 35.63791 6.957559 74.08508       23.39906 0.000000       0.000000 74.08508       23.39906 ?        ?        35.63791 6.957559 ?              ?        
1 1 1 9   45 2  o 17.96946 7.114807 14.48247       18.57293 46.64000       39.11459 5.121386       21.10380 26.39547 10.36376 16.51998 7.136862 9.875486       12.58342 
1 1 1 9   45 3  o 21.86061 7.819134 27.75283       21.18275 3.009000       38.13745 38.79206       25.47344 19.92847 9.037853 24.87625 8.600516 -4.947777      12.47604 
1 1 1 9   45 4  o 21.43629 7.864575 26.11084       21.60781 47.08000       38.80832 16.68959       26.01289 26.48510 10.34543 19.82324 8.207767 6.661861       13.20588 
1 1 1 9   45 5  o 32.22377 6.643820 60.00818       20.25905 49.77000       39.06948 63.77347       23.69330 26.98362 10.42454 32.49979 7.586669 -5.516169      12.89297 
1 1 1 9   45 6  o 18.94638 7.456589 17.08866       20.28965 -60.65000      36.33965 52.29895       24.45666 14.23870 7.044557 28.84318 8.248029 -14.60448      10.84692 
1 1 1 9   45 7  o 20.42100 7.587188 22.80152       20.22029 17.47000       36.00350 25.25798       24.43850 21.45620 9.295554 21.44781 8.255569 0.8386612E-02  12.43229 
1 1 1 9   45 8  o 24.34210 7.875400 36.26925       21.40369 52.02000       38.55385 29.25200       25.73359 27.36838 10.41002 22.46803 8.514457 4.900352       13.44858 
1 1 1 9   45 9  o 18.43544 7.312985 15.67450       19.65646 5.832000       33.58480 20.80274       24.24232 19.38896 8.662838 20.34819 8.105203 -0.9592304     11.86335 
1 1 1 9   45 10 o 23.10743 8.758173 32.11259       27.23047 37.26000       33.06348 21.26000       48.00879 24.38902 9.542522 23.13815 10.34628 1.250868       14.07498 
1 1 1 9   45 11 o 14.51202 6.527912 -2.866212      19.42677 -26.65000      30.42071 13.51273       25.24479 15.02738 7.203889 18.96345 7.985274 -3.936077      10.75456 
1 1 1 9   45 12 o 23.71344 10.45639 27.66000       47.34788 0.000000       0.000000 27.66000       47.34788 ?        ?        23.71344 10.45639 ?              ?        
1 1 1 9   45 13 o 26.29870 8.283707 44.24216       23.80486 0.000000       0.000000 44.24216       23.80486 ?        ?        26.29870 8.283707 ?              ?        
1 1 1 9   45 14 o 21.06601 7.661740 25.77794       20.44151 0.000000       0.000000 25.77794       20.44151 ?        ?        21.06601 7.661740 ?              ?        
1 1 1 9   45 15 o 16.26347 6.879302 7.671278       18.87368 0.000000       0.000000 7.671278       18.87368 ?        ?        16.26347 6.879302 ?              ?        
1 1 1 9   45 16 o 12.17701 5.734431 -13.34927      17.64038 0.000000       0.000000 -13.34927      17.64038 ?        ?        12.17701 5.734431 ?              ?        
1 1 1 9   45 17 o 27.07880 9.682528 52.41000       32.47933 0.000000       0.000000 52.41000       32.47933 ?        ?        27.07880 9.682528 ?              ?        
1 1 1 9   45 18 o 19.97107 8.622476 15.78000       30.76690 0.000000       0.000000 15.78000       30.76690 ?        ?        19.97107 8.622476 ?              ?        
1 1 1 9   45 19 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 9   46 0  o 19.10990 7.279363 19.14332       18.86893 22.02000       37.65915 18.17907       21.80317 22.01145 9.521520 19.28209 7.684632 2.729351       12.23572 
1 1 1 9   46 1  o 18.28357 7.130817 16.32395       18.41471 5.455000       37.57855 19.75873       21.12496 19.86412 8.993778 19.56368 7.635409 0.3004417      11.79778 
1 1 1 9   46 2  o 18.70451 7.539287 16.10146       21.23432 0.000000       0.000000 16.10146       21.23432 ?        ?        18.70451 7.539287 ?              ?        
1 1 1 9   46 3  o 15.22698 6.605931 3.394364       18.23386 -4.726000      36.32478 6.129688       21.08238 18.48995 8.545985 16.56878 7.145458 1.921165       11.13963 
1 1 1 9   46 4  o 29.32034 7.474929 52.75965       21.51446 76.87000       39.05270 42.25355       25.77923 31.95361 10.65388 25.47888 8.656777 6.474728       13.72752 
1 1 1 9   46 5  o 18.41746 7.484740 15.06428       21.12357 30.16000       37.11489 7.831678       25.69026 23.10145 9.702268 17.93245 7.809720 5.168997       12.45495 
1 1 1 9   46 6  f 19.82900 7.579964 21.30336       20.50588 21.74000       37.56512 21.11802       24.47393 21.86536 9.483814 20.24443 8.116888 1.620924       12.48305 
1 1 1 9   46 7  o 17.89339 7.162614 14.59025       19.02561 60.81000       35.42923 -4.139351      22.55341 28.85999 10.13240 15.21599 6.920124 13.64400       12.27003 
1 1 1 9   46 8  o 22.00459 8.364168 28.94616       24.87881 19.58000       34.39367 39.22550       36.03133 21.12350 9.118262 24.44624 9.832372 -3.322746      13.40963 
1 1 1 9   46 9  o 18.42061 7.229588 16.85084       19.02734 -0.7430000     33.72577 25.06567       23.04520 18.29543 8.374640 20.93153 8.027045 -2.636091      11.60035 
1 1 1 9   46 10 o 17.21942 6.982936 12.65892       18.34051 34.24000       31.79996 1.902177       22.45071 23.31865 9.284803 16.07131 7.137664 7.247337       11.71127 
1 1 1 9   46 11 o 21.26308 8.036265 26.76597       22.88827 0.000000       0.000000 26.76597       22.88827 ?        ?        21.26308 8.036265 ?              ?        
1 1 1 9   46 12 o 20.42264 7.984473 23.43009       23.13333 0.000000       0.000000 23.43009       23.13333 ?        ?        20.42264 7.984473 ?              ?        
1 1 1 9   46 13 o 13.85813 6.459563 -10.71369      21.43488 0.000000       0.000000 -10.71369      21.43488 ?        ?        13.85813 6.459563 ?              ?        
1 1 1 9   46 14 o 11.69796 5.792571 -44.80804      24.76680 0.000000       0.000000 -44.80804      24.76680 ?        ?        11.69796 5.792571 ?              ?        
1 1 1 9   47 0  o 20.42086 7.405708 24.65307       19.07948 4.250000       38.53283 31.28010       21.96052 19.46244 8.924795 22.32382 7.964015 -2.861383      11.96150 
1 1 1 9   47 1  o 15.26432 6.637630 4.008217       18.49848 6.707000       37.64750 3.149253       21.23927 19.60555 8.925928 15.86576 6.999321 3.739789       11.34296 
1 1 1 9   47 2  o 24.19945 7.386056 36.67801       19.09498 13.21000       38.39467 44.39015       22.01001 20.47015 9.195166 26.20058 7.916093 -5.730434      12.13324 
1 1 1 9   47 3  o 43.76419 6.007995 109.2303       25.05824 0.000000       0.000000 109.2303       25.05824 ?        ?        43.76419 6.007995 ?              ?        
1 1 1 9   47 4  o 21.98012 7.807975 29.95657       21.08715 -27.58000      40.39502 51.50900       24.72316 16.95428 8.172058 27.83337 8.385550 -10.87909      11.70897 
1 1 1 9   47 5  o 24.47422 8.283298 39.24447       23.60102 39.01000       37.37252 39.40000       30.43839 24.07679 9.890165 24.15532 9.234726 -0.7853127E-01 13.53128 
1 1 1 9   47 6  o 15.58291 6.720846 5.389079       18.65423 -0.1012000     34.63039 7.633348       22.14102 18.33956 8.428646 16.89198 7.303881 1.447584       11.15297 
1 1 1 9   47 7  o 24.35913 9.111246 40.71278       29.25549 26.02000       35.25070 73.23000       52.44117 21.78337 9.314186 28.45756 11.70539 -6.674191      14.95895 
1 1 1 10  0  0  o 413.0845 11.04504 8382.026       445.8717 8382.026       445.8717 8382.026       445.8717 413.0845 11.04504 413.0845 11.04504 0.000000       0.000000 
1 1 1 10  0  1  o 63.24266 3.876041 197.9813       23.78543 197.9813       23.78543 197.9813       23.78543 63.24266 3.876041 63.24266 3.876041 0.000000       0.000000 
1 1 1 10  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  3  o 638.5919 16.84310 20071.24       1051.159 20071.24       1051.159 20071.24       1051.159 638.5919 16.84310 638.5919 16.84310 0.000000       0.000000 
1 1 1 10  0  4  o 292.3902 8.036293 4196.996       229.6055 4196.996       229.6055 4196.996       229.6055 292.3902 8.036293 292.3902 8.036293 0.000000       0.000000 
1 1 1 10  0  5  o 366.9326 14.05218 6635.000       503.0198 6635.000       503.0198 6635.000       503.0198 366.9326 14.05218 366.9326 14.05218 0.000000       0.000000 
1 1 1 10  0  6  o 170.2129 7.407737 1427.000       122.8864 1427.000       122.8864 1427.000       122.8864 170.2129 7.407737 170.2129 7.407737 0.000000       0.000000 
1 1 1 10  0  7  o 305.9311 11.90869 4610.000       355.3807 4610.000       355.3807 4610.000       355.3807 305.9311 11.90869 305.9311 11.90869 0.000000       0.000000 
1 1 1 10  0  8  o 651.0377 24.47341 21000.00       1554.567 21000.00       1554.567 21000.00       1554.567 651.0377 24.47341 651.0377 24.47341 0.000000       0.000000 
1 1 1 10  0  9  o 207.7772 8.638564 2126.000       174.9974 2126.000       174.9974 2126.000       174.9974 207.7772 8.638564 207.7772 8.638564 0.000000       0.000000 
1 1 1 10  0  10 o 61.50507 4.319096 187.9132       25.70231 187.9132       25.70231 187.9132       25.70231 61.50507 4.319096 61.50507 4.319096 0.000000       0.000000 
1 1 1 10  0  11 o 52.37648 4.610681 137.3979       23.19768 137.3979       23.19768 137.3979       23.19768 52.37648 4.610681 52.37648 4.610681 0.000000       0.000000 
1 1 1 10  0  12 o 513.4695 13.63004 12969.80       683.9525 12969.80       683.9525 12969.80       683.9525 513.4695 13.63004 513.4695 13.63004 0.000000       0.000000 
1 1 1 10  0  13 o 179.4421 5.465248 1581.108       95.79147 1581.108       95.79147 1581.108       95.79147 179.4421 5.465248 179.4421 5.465248 0.000000       0.000000 
1 1 1 10  0  14 o 177.8490 5.442221 1553.292       94.53914 1553.292       94.53914 1553.292       94.53914 177.8490 5.442221 177.8490 5.442221 0.000000       0.000000 
1 1 1 10  0  15 f 180.6960 5.515990 1603.539       97.35548 1603.539       97.35548 1603.539       97.35548 180.6960 5.515990 180.6960 5.515990 0.000000       0.000000 
1 1 1 10  0  16 o 467.4668 12.48156 10759.36       570.1978 10759.36       570.1978 10759.36       570.1978 467.4668 12.48156 467.4668 12.48156 0.000000       0.000000 
1 1 1 10  0  17 o 69.11355 4.362572 236.6826       29.24006 236.6826       29.24006 236.6826       29.24006 69.11355 4.362572 69.11355 4.362572 0.000000       0.000000 
1 1 1 10  0  18 o 147.3478 4.907109 1066.918       70.59628 1066.918       70.59628 1066.918       70.59628 147.3478 4.907109 147.3478 4.907109 0.000000       0.000000 
1 1 1 10  0  19 o 134.0986 4.699182 884.0004       61.50922 884.0004       61.50922 884.0004       61.50922 134.0986 4.699182 134.0986 4.699182 0.000000       0.000000 
1 1 1 10  0  20 o 24.64983 9.368867 40.37882       21.24936 40.37882       21.24936 40.37882       21.24936 24.64983 9.368867 24.64983 9.368867 0.000000       0.000000 
1 1 1 10  0  21 o 60.93803 4.832476 185.3150       28.39542 185.3150       28.39542 185.3150       28.39542 60.93803 4.832476 60.93803 4.832476 0.000000       0.000000 
1 1 1 10  0  22 o 274.9816 7.745074 3719.460       208.0921 3719.460       208.0921 3719.460       208.0921 274.9816 7.745074 274.9816 7.745074 0.000000       0.000000 
1 1 1 10  0  23 o 111.5687 4.694303 613.0753       51.05798 613.0753       51.05798 613.0753       51.05798 111.5687 4.694303 111.5687 4.694303 0.000000       0.000000 
1 1 1 10  0  24 o 17.87616 9.365932 22.78279       21.57044 22.78279       21.57044 22.78279       21.57044 17.87616 9.365932 17.87616 9.365932 0.000000       0.000000 
1 1 1 10  0  25 o 51.73101 7.625311 139.6000       36.15398 139.6000       36.15398 139.6000       36.15398 51.73101 7.625311 51.73101 7.625311 0.000000       0.000000 
1 1 1 10  0  26 o 32.13458 9.274408 61.82784       25.30033 61.82784       25.30033 61.82784       25.30033 32.13458 9.274408 32.13458 9.274408 0.000000       0.000000 
1 1 1 10  0  27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  28 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  0  29 o 34.60360 8.365186 68.14330       24.56007 68.14330       24.56007 68.14330       24.56007 34.60360 8.365186 34.60360 8.365186 0.000000       0.000000 
1 1 1 10  0  30 o 54.50087 5.184671 149.6012       27.04818 149.6012       27.04818 149.6012       27.04818 54.50087 5.184671 54.50087 5.184671 0.000000       0.000000 
1 1 1 10  0  31 o 109.9351 6.192587 599.3000       66.14961 599.3000       66.14961 599.3000       66.14961 109.9351 6.192587 109.9351 6.192587 0.000000       0.000000 
1 1 1 10  0  32 o 42.35199 8.129663 97.42000       30.11189 97.42000       30.11189 97.42000       30.11189 42.35199 8.129663 42.35199 8.129663 0.000000       0.000000 
1 1 1 10  0  33 o 177.5793 5.574806 1554.313       96.68459 1554.313       96.68459 1554.313       96.68459 177.5793 5.574806 177.5793 5.574806 0.000000       0.000000 
1 1 1 10  0  34 o 25.79063 12.86410 49.14000       39.49373 49.14000       39.49373 49.14000       39.49373 25.79063 12.86410 25.79063 12.86410 0.000000       0.000000 
1 1 1 10  0  35 o 29.40939 13.16383 62.74000       40.34374 62.74000       40.34374 62.74000       40.34374 29.40939 13.16383 29.40939 13.16383 0.000000       0.000000 
1 1 1 10  0  36 o 13.06827 8.160435 5.280990       21.33373 5.280990       21.33373 5.280990       21.33373 13.06827 8.160435 13.06827 8.160435 0.000000       0.000000 
1 1 1 10  0  37 o 132.8718 4.829851 872.5109       62.62779 872.5109       62.62779 872.5109       62.62779 132.8718 4.829851 132.8718 4.829851 0.000000       0.000000 
1 1 1 10  0  38 o 91.85262 4.558279 418.4163       40.75122 418.4163       40.75122 418.4163       40.75122 91.85262 4.558279 91.85262 4.558279 0.000000       0.000000 
1 1 1 10  0  39 o 9.118976 6.354091 -18.72082      20.42126 -18.72082      20.42126 -18.72082      20.42126 9.118976 6.354091 9.118976 6.354091 0.000000       0.000000 
1 1 1 10  0  40 o 31.68370 9.031069 60.73552       24.26556 60.73552       24.26556 60.73552       24.26556 31.68370 9.031069 31.68370 9.031069 0.000000       0.000000 
1 1 1 10  0  41 o 19.14406 9.741538 27.29792       22.88703 27.29792       22.88703 27.29792       22.88703 19.14406 9.741538 19.14406 9.741538 0.000000       0.000000 
1 1 1 10  0  42 o 98.68837 4.708241 484.2318       45.24420 484.2318       45.24420 484.2318       45.24420 98.68837 4.708241 98.68837 4.708241 0.000000       0.000000 
1 1 1 10  0  43 o 83.66219 4.873332 349.6255       39.59553 349.6255       39.59553 349.6255       39.59553 83.66219 4.873332 83.66219 4.873332 0.000000       0.000000 
1 1 1 10  0  44 o 8.155350 5.843292 -33.96513      21.79346 -33.96513      21.79346 -33.96513      21.79346 8.155350 5.843292 8.155350 5.843292 0.000000       0.000000 
1 1 1 10  0  45 o 35.83611 8.702311 75.01211       26.45160 75.01211       26.45160 75.01211       26.45160 35.83611 8.702311 35.83611 8.702311 0.000000       0.000000 
1 1 1 10  0  46 f 10.35967 7.095890 -13.57147      22.91311 -13.57147      22.91311 -13.57147      22.91311 10.35967 7.095890 10.35967 7.095890 0.000000       0.000000 
1 1 1 10  0  47 o 25.42800 10.35809 46.45518       25.31446 46.45518       25.31446 46.45518       25.31446 25.42800 10.35809 25.42800 10.35809 0.000000       0.000000 
1 1 1 10  0  48 o 15.35240 9.411329 12.10000       27.13126 12.10000       27.13126 12.10000       27.13126 15.35240 9.411329 15.35240 9.411329 0.000000       0.000000 
1 1 1 10  0  49 o 11.60947 7.822080 -8.933000      25.58133 -8.933000      25.58133 -8.933000      25.58133 11.60947 7.822080 11.60947 7.822080 0.000000       0.000000 
1 1 1 10  0  50 o 14.80555 10.22005 -28.61000      49.73053 -28.61000      49.73053 -28.61000      49.73053 14.80555 10.22005 14.80555 10.22005 0.000000       0.000000 
1 1 1 10  0  51 o 30.29087 14.81633 78.21000       51.95705 78.21000       51.95705 78.21000       51.95705 30.29087 14.81633 30.29087 14.81633 0.000000       0.000000 
1 1 1 10  0  52 o 55.60067 5.962659 161.3012       31.50982 161.3012       31.50982 161.3012       31.50982 55.60067 5.962659 55.60067 5.962659 0.000000       0.000000 
1 1 1 10  0  53 o 32.29309 9.756445 66.94521       26.89147 66.94521       26.89147 66.94521       26.89147 32.29309 9.756445 32.29309 9.756445 0.000000       0.000000 
1 1 1 10  0  54 o 17.01147 9.660098 21.59546       24.94409 21.59546       24.94409 21.59546       24.94409 17.01147 9.660098 17.01147 9.660098 0.000000       0.000000 
1 1 1 10  0  55 o 31.60300 9.643232 64.39344       26.05099 64.39344       26.05099 64.39344       26.05099 31.60300 9.643232 31.60300 9.643232 0.000000       0.000000 
1 1 1 10  0  56 o 11.85843 8.533569 -72.81000      48.71210 -72.81000      48.71210 -72.81000      48.71210 11.85843 8.533569 11.85843 8.533569 0.000000       0.000000 
1 1 1 10  0  57 o 75.85824 5.200161 293.7468       38.18878 293.7468       38.18878 293.7468       38.18878 75.85824 5.200161 75.85824 5.200161 0.000000       0.000000 
1 1 1 10  0  58 f 31.98309 10.04595 67.24171       27.60823 67.24171       27.60823 67.24171       27.60823 31.98309 10.04595 31.98309 10.04595 0.000000       0.000000 
1 1 1 10  0  59 o 42.76408 7.858456 103.4123       29.61797 103.4123       29.61797 103.4123       29.61797 42.76408 7.858456 42.76408 7.858456 0.000000       0.000000 
1 1 1 10  0  60 o 10.81203 7.569607 -25.25000      29.96244 -25.25000      29.96244 -25.25000      29.96244 10.81203 7.569607 10.81203 7.569607 0.000000       0.000000 
1 1 1 10  1  0  o 451.2896 8.469613 9985.561       374.1322 10087.52       533.7245 9887.060       524.5992 453.0109 12.04725 448.4980 11.96048 4.512848       16.97614 
1 1 1 10  1  1  o 243.3632 4.815888 2900.279       114.7196 2886.755       161.7853 2913.956       162.6945 242.6286 6.819019 243.7694 6.825195 -1.140884      9.647917 
1 1 1 10  1  2  o 393.4249 7.431189 7585.848       286.1715 7728.944       410.1049 7450.043       399.5179 396.6966 10.57103 389.4789 10.48919 7.217712       14.89194 
1 1 1 10  1  3  o 488.1130 9.131248 11685.12       436.2715 11609.61       614.1313 11762.04       619.8708 485.8505 12.92523 489.0253 12.96125 -3.174744      18.30452 
1 1 1 10  1  4  o 224.2514 6.395830 2465.758       140.2473 2382.000       194.2302 2557.000       202.7214 220.2014 9.030523 228.1539 9.095710 -7.952530      12.81727 
1 1 1 10  1  5  o 345.6757 7.612587 5856.820       257.5772 5860.744       315.6473 5849.000       445.6262 345.5360 9.341167 344.6756 13.23310 0.8604126      16.19791 
1 1 1 10  1  6  o 158.1090 4.947588 1225.439       76.47535 1213.000       107.8898 1238.000       108.4171 157.1735 7.030653 158.7909 6.992495 -1.617386      9.915899 
1 1 1 10  1  7  o 505.1648 13.41175 12558.17       662.5834 12810.00       950.3716 12320.00       924.2433 508.7793 19.11750 498.9861 18.95755 9.793213       26.92336 
1 1 1 10  1  8  o 200.5641 5.885691 1972.271       115.4215 1880.000       159.0220 2075.000       167.7923 195.6319 8.323480 205.5418 8.357423 -9.909958      11.79520 
1 1 1 10  1  9  o 171.2668 4.287913 1437.206       71.82632 1378.000       122.7821 1468.008       88.56074 167.4975 7.508027 173.0455 5.234488 -5.548035      9.152613 
1 1 1 10  1  10 o 577.0294 12.42978 16369.60       702.0496 16310.00       1213.189 16399.60       860.8254 572.9530 21.67139 576.6996 15.26304 -3.746643      26.50679 
1 1 1 10  1  11 o 186.7912 3.956249 1708.437       72.33465 1733.724       103.4484 1684.245       101.1825 188.0383 5.626782 185.3359 5.583872 2.702408       7.927188 
1 1 1 10  1  12 o 236.3713 4.739087 2736.443       109.6467 2687.820       153.4534 2787.161       156.7261 234.0798 6.704308 238.3682 6.723894 -4.288376      9.495183 
1 1 1 10  1  13 o 174.7832 3.781303 1495.890       64.69151 1527.919       92.75771 1465.556       90.26830 176.5164 5.374832 172.8754 5.340932 3.641037       7.577228 
1 1 1 10  1  14 o 236.5028 4.752096 2739.971       110.0089 2681.295       153.6097 2801.751       157.6198 233.7539 6.720547 238.9487 6.745821 -5.194824      9.522177 
1 1 1 10  1  15 o 166.3645 3.684489 1355.391       59.99903 1327.805       83.90469 1384.258       85.83101 164.5298 5.216566 167.9937 5.226050 -3.463928      7.384048 
1 1 1 10  1  16 o 291.0415 5.677754 4152.318       161.7476 4216.013       231.0665 4091.120       226.4933 292.9137 8.066866 288.5450 8.027084 4.368744       11.38018 
1 1 1 10  1  17 o 262.0405 5.192479 3365.680       133.1832 3489.086       192.7217 3252.869       184.2619 266.4918 7.395383 257.3154 7.323279 9.176453       10.40779 
1 1 1 10  1  18 o 71.20328 3.088880 248.7443       21.47696 239.8768       30.25722 257.7488       30.49014 69.82448 4.450217 72.39930 4.322154 -2.574821      6.203664 
1 1 1 10  1  19 o 90.79971 3.024638 404.2083       26.84464 376.0487       36.97487 435.5966       39.03711 87.49202 4.330959 94.18682 4.245209 -6.694801      6.064569 
1 1 1 10  1  20 o 39.99329 4.363603 79.32154       16.80521 86.93363       23.64923 71.55702       23.88483 41.67072 5.968211 37.60918 6.735532 4.061543       8.999273 
1 1 1 10  1  21 o 74.17780 3.207242 270.0217       23.23188 284.5639       32.99086 255.7169       32.72049 76.06093 4.450693 72.06982 4.663349 3.991112       6.446355 
1 1 1 10  1  22 f 187.2524 4.064191 1718.615       74.49165 1663.723       103.3890 1777.871       107.4209 184.0119 5.747183 190.2219 5.775975 -6.210052      8.148129 
1 1 1 10  1  23 o 175.2916 5.403170 1509.507       92.59705 1516.000       130.8809 1503.000       131.0232 175.3395 7.644256 174.5775 7.686340 0.7620087      10.84041 
1 1 1 10  1  24 o 176.7046 4.590473 1532.530       79.33113 0.000000       0.000000 1532.530       79.33113 ?        ?        176.7046 4.590473 ?              ?        
1 1 1 10  1  25 o 253.2889 5.078274 3148.723       125.9037 3165.187       178.4989 3132.421       177.6139 253.4889 7.201295 252.1720 7.203094 1.316940       10.18544 
1 1 1 10  1  26 o 232.3659 4.759567 2649.474       108.2545 2856.919       159.5811 2472.632       147.3405 240.8742 6.775112 224.0860 6.725011 16.78825       9.546095 
1 1 1 10  1  27 f 218.7499 5.251452 2350.083       112.4433 2322.409       136.3163 2409.000       198.9014 217.1786 6.419503 220.4880 9.236548 -3.309387      11.24828 
1 1 1 10  1  28 o 113.3572 3.665959 630.7218       40.62296 673.6107       51.00237 556.3000       67.18431 117.0723 4.458866 106.1075 6.499868 10.96483       7.882245 
1 1 1 10  1  29 o 243.0972 4.924638 2902.936       117.1819 2872.509       164.4206 2934.345       167.0510 241.2767 6.969313 243.8515 7.005964 -2.574814      9.882048 
1 1 1 10  1  30 o 150.8072 4.086124 1117.083       60.26144 1152.615       75.13305 1053.000       100.9000 153.0492 5.022065 145.8834 7.087294 7.165756       8.686246 
1 1 1 10  1  31 o 84.07928 3.526937 347.4368       28.96192 351.4442       36.10104 340.2000       48.51297 84.46825 4.381339 82.86398 6.022271 1.604279       7.447408 
1 1 1 10  1  32 o 147.8720 4.065583 1075.066       58.78991 1094.000       100.7317 1065.286       72.39954 148.5233 6.948174 147.0176 5.038515 1.505630       8.582759 
1 1 1 10  1  33 o 219.5246 6.485375 2387.325       139.2028 2306.000       191.2253 2479.000       203.0297 214.4845 9.129305 222.2681 9.352934 -7.783676      13.06987 
1 1 1 10  1  34 o 60.15255 4.192929 178.9355       24.53298 201.2624       29.08666 123.9000       45.66682 63.73273 4.695535 48.73251 9.911489 15.00022       10.96748 
1 1 1 10  1  35 o 51.04494 4.605007 129.5605       22.76139 93.44000       44.01665 142.7446       26.59290 42.00622 10.68252 53.50023 5.141351 -11.49401      11.85537 
1 1 1 10  1  36 o 89.73443 3.721326 397.1531       32.61516 433.5000       60.95218 382.5708       38.60730 92.96104 6.744436 87.91094 4.501619 5.050102       8.108761 
1 1 1 10  1  37 o 52.21353 3.724586 135.0267       18.91063 113.6878       26.42702 157.4198       27.07197 47.46004 5.809716 56.15297 4.976881 -8.692928      7.649977 
1 1 1 10  1  38 o 51.77398 3.804415 132.9859       19.14531 112.4862       26.78786 154.3906       27.37272 47.11283 5.940694 55.52677 5.092947 -8.413944      7.824957 
1 1 1 10  1  39 o 58.34978 3.606928 168.6367       20.50004 186.5592       29.30650 151.4646       28.68632 61.07588 4.944406 54.87027 5.411474 6.205612       7.330157 
1 1 1 10  1  40 o 64.58916 3.502948 206.5205       22.06334 211.3537       31.35732 201.7818       31.04950 64.97438 4.968176 63.45690 5.040223 1.517483       7.077190 
1 1 1 10  1  41 o 107.8968 3.281292 574.9215       34.61423 591.1628       49.50047 559.3808       48.42120 108.9209 4.653653 105.9361 4.681220 2.984749       6.600780 
1 1 1 10  1  42 o 25.39301 6.680665 33.89849       16.82562 17.76694       23.77751 50.07766       23.81257 21.43758 8.170202 30.63679 7.892264 -9.199202      11.35958 
1 1 1 10  1  43 f 65.11949 3.650871 210.6579       23.17775 230.0456       32.97273 191.7210       32.58724 67.62569 5.016969 61.54531 5.466166 6.080387       7.419497 
1 1 1 10  1  44 o 88.36192 3.364480 387.1277       29.04659 392.8254       41.08021 381.4312       41.07596 88.44196 4.762918 87.11201 4.836280 1.329956       6.787857 
1 1 1 10  1  45 o 46.68816 4.422443 110.0332       19.96948 115.9842       28.22212 104.0661       28.26015 47.25592 6.254812 44.54344 6.687999 2.712482       9.157074 
1 1 1 10  1  46 o 50.17915 4.226788 126.9736       20.56776 135.1844       29.27259 118.9675       28.90531 51.06745 5.968565 47.69590 6.348967 3.371552       8.713964 
1 1 1 10  1  47 o 34.26155 6.081120 61.97219       19.64683 67.66726       26.06546 54.48000       29.89649 35.11729 7.787185 31.10423 9.185614 4.013062       12.04225 
1 1 1 10  1  48 o 68.84348 4.038714 238.3858       27.09569 249.3719       35.67070 223.4000       41.66114 69.77203 5.261826 65.18185 6.621576 4.590179       8.457664 
1 1 1 10  1  49 o 81.39699 5.083294 338.5946       40.29827 391.7000       51.42582 254.1000       64.86738 86.78376 6.092628 66.29353 10.33329 20.49023       11.99571 
1 1 1 10  1  50 o 22.21060 8.253909 23.23409       23.93261 13.11000       27.05482 59.66000       51.31825 20.60814 8.434443 32.14727 12.05842 -11.53913      14.71548 
1 1 1 10  1  51 f 50.38206 4.225713 128.9434       20.64742 123.5547       29.89135 133.8608       28.55425 48.14467 6.509572 50.50212 5.886610 -2.357445      8.776485 
1 1 1 10  1  52 o 49.42323 5.406286 127.4571       25.72773 77.28000       54.32536 141.9648       29.21124 34.61882 12.50442 51.92129 5.849431 -17.30247      13.80494 
1 1 1 10  1  53 f 27.92289 6.617272 42.97723       17.80779 54.21640       25.46258 32.21677       24.91442 30.65654 8.288482 24.38808 8.501471 6.268454       11.87324 
1 1 1 10  1  54 o 32.97364 5.881166 58.28884       18.28545 79.52845       26.31099 38.44692       25.43055 37.80030 7.375983 26.09879 8.593557 11.70151       11.32494 
1 1 1 10  1  55 o 23.05911 8.337688 27.67765       24.16061 0.000000       0.000000 27.67765       24.16061 ?        ?        23.05911 8.337688 ?              ?        
1 1 1 10  1  56 o 69.20715 4.132695 243.7296       27.86814 222.7496       35.40440 277.9000       45.18346 65.11643 5.609319 71.97623 6.482734 -6.859802      8.572649 
1 1 1 10  1  57 o 25.41504 7.171096 36.31828       18.61142 42.32336       25.71833 29.71589       26.96708 27.02448 8.622232 23.79412 8.776300 3.230358       12.30310 
1 1 1 10  1  58 o 32.78397 6.280826 58.70568       19.42157 66.10446       27.35479 51.18509       27.57907 33.62196 8.349972 29.36537 8.858747 4.256584       12.17372 
1 1 1 10  1  59 o 41.50373 5.597396 91.83646       22.16028 103.9982       29.37358 75.77000       33.76126 43.11491 7.214942 34.99900 9.578169 8.115910       11.99153 
1 1 1 10  1  60 o 34.79199 6.581138 67.37302       21.59156 72.83743       28.30650 59.77000       33.38931 34.96219 8.380535 30.72025 9.826770 4.241938       12.91506 
1 1 1 10  2  0  o 513.7305 9.598655 12946.57       482.6718 13044.64       687.3614 12851.17       677.9381 514.8845 13.65062 511.0667 13.56408 3.817749       19.24380 
1 1 1 10  2  1  o 515.1878 9.628332 13020.36       485.5376 13220.50       695.3828 12829.95       678.2457 518.3307 13.71806 510.6393 13.58164 7.691406       19.30405 
1 1 1 10  2  2  o 311.3035 6.916882 4748.650       210.7660 4786.329       259.7338 4676.000       360.6568 312.3244 8.503948 308.3110 11.97361 4.013397       14.68620 
1 1 1 10  2  3  o 355.6367 7.824193 6199.620       272.3657 6441.344       342.6835 5785.000       448.8052 362.2267 9.673763 342.7657 13.40270 19.46094       16.52919 
1 1 1 10  2  4  o 634.5737 13.62977 19801.67       846.5972 19619.97       1030.029 20180.00       1486.279 630.6917 16.69968 637.0672 23.87691 -6.375488      29.13737 
1 1 1 10  2  5  o 330.1017 8.961185 5348.029       289.2794 5388.000       411.5613 5309.000       406.6880 330.8623 12.73187 328.4325 12.67432 2.429749       17.96494 
1 1 1 10  2  6  o 639.5714 13.74460 20119.40       860.4533 20285.05       1060.361 19800.00       1472.393 641.1647 16.91053 630.8890 23.88634 10.27570       29.26642 
1 1 1 10  2  7  f 243.7704 6.869817 2914.294       163.7567 2962.000       234.6492 2869.000       228.6414 245.5010 9.784313 241.6201 9.687173 3.880981       13.76859 
1 1 1 10  2  8  o 124.9636 3.562212 765.1519       43.52774 728.4000       75.36691 783.5464       53.31936 121.7641 6.345359 126.4243 4.315044 -4.660141      7.673539 
1 1 1 10  2  9  o 284.4689 6.401988 3965.086       178.2608 3785.000       300.5375 4062.831       221.4146 277.3911 11.09115 287.7612 7.868203 -10.37015      13.59861 
1 1 1 10  2  10 o 194.5636 4.705659 1853.895       89.61656 1874.000       158.0345 1844.365       108.8015 195.3064 8.285468 193.9473 5.737501 1.359116       10.07809 
1 1 1 10  2  11 o 353.4615 7.794565 6126.099       269.6747 6016.000       462.4739 6182.821       331.9519 349.3443 13.55039 354.7961 9.567239 -5.451782      16.58750 
1 1 1 10  2  12 o 144.9429 3.389693 1028.577       48.09097 1040.621       69.44436 1017.479       66.66270 145.6777 4.876973 144.0550 4.734114 1.622757       6.796815 
1 1 1 10  2  13 o 249.8478 4.973768 3057.901       121.6374 3075.915       172.6816 3040.159       171.3685 250.3686 7.053311 248.9091 7.040778 1.459457       9.966030 
1 1 1 10  2  14 o 197.7819 4.141237 1915.833       80.17201 1923.016       113.9209 1908.784       112.8474 197.9937 5.884751 197.2617 5.850902 0.7320557      8.298394 
1 1 1 10  2  15 o 323.0298 6.227679 5116.076       196.9133 5119.039       278.6044 5113.118       278.3506 322.7134 8.828215 322.5271 8.825273 0.1863403      12.48290 
1 1 1 10  2  16 o 309.8449 6.003709 4707.231       182.0833 4930.413       265.6042 4509.339       250.1037 316.6870 8.576271 302.8730 8.444569 13.81409       12.03591 
1 1 1 10  2  17 o 326.2603 6.292713 5221.437       200.9594 5109.912       280.0296 5339.862       288.5615 322.2738 8.885613 329.4368 8.957016 -7.162964      12.61674 
1 1 1 10  2  18 o 222.0861 4.550333 2417.111       98.91697 2409.346       139.9500 2424.862       139.8296 221.4861 6.462262 222.2020 6.435802 -0.7158356     9.120328 
1 1 1 10  2  19 o 173.4891 3.817827 1474.591       64.83277 1511.858       92.96417 1439.302       90.46180 175.4923 5.418412 171.2268 5.404201 4.265518       7.652750 
1 1 1 10  2  20 o 185.5332 4.011525 1686.771       72.85129 1638.546       101.4567 1738.103       104.6732 182.6606 5.681433 188.1321 5.690701 -5.471512      8.041316 
1 1 1 10  2  21 o 214.4588 4.460662 2254.656       93.63743 2159.051       129.1137 2360.732       136.0013 209.5973 6.300482 219.1701 6.346189 -9.572784      8.942605 
1 1 1 10  2  22 o 35.78897 5.486732 64.30164       18.60871 54.57206       23.51603 80.60000       30.43612 32.66198 7.512295 39.75235 8.097363 -7.090363      11.04545 
1 1 1 10  2  23 o 117.8952 3.827490 681.9421       44.11037 0.000000       0.000000 681.9421       44.11037 ?        ?        117.8952 3.827490 ?              ?        
1 1 1 10  2  24 o 195.5894 4.185497 1875.680       80.13062 1908.000       158.8532 1864.650       92.80270 196.5770 8.274263 194.9512 4.863270 1.625763       9.597647 
1 1 1 10  2  25 o 146.6518 3.505698 1053.997       50.32318 1036.391       69.89387 1072.947       72.51389 145.2436 4.923388 147.7747 5.020488 -2.531128      7.031718 
1 1 1 10  2  26 f 105.0231 4.378371 541.9599       44.91071 519.5000       61.85552 567.0000       65.31200 102.6144 6.187084 107.2106 6.250820 -4.596146      8.795041 
1 1 1 10  2  27 o 339.1459 6.559015 5660.161       217.7366 5846.476       314.4959 5488.641       301.7515 343.5883 9.359987 332.9380 9.268353 10.65021       13.17238 
1 1 1 10  2  28 o 82.80111 4.352923 337.3553       35.15566 337.3553       35.15566 0.000000       0.000000 82.80111 4.352923 ?        ?        ?              ?        
1 1 1 10  2  29 o 173.6471 4.458435 1481.240       75.71761 1459.980       91.95829 1526.000       133.4290 172.2355 5.461491 175.5923 7.782496 -3.356735      9.507635 
1 1 1 10  2  30 o 126.5450 3.768985 786.3633       46.63280 802.6026       57.73957 755.9000       79.08210 127.7386 4.625544 123.6451 6.557691 4.093513       8.024897 
1 1 1 10  2  31 o 190.8983 4.114763 1789.565       76.88705 1790.170       108.3787 1788.952       109.0942 190.5229 5.818351 190.4478 5.859171 0.7507324E-01  8.257306 
1 1 1 10  2  32 o 137.4344 3.979152 928.6302       53.47304 948.9596       65.47167 887.9000       92.67229 138.7843 4.826904 133.7182 7.105839 5.066086       8.590224 
1 1 1 10  2  33 o 85.34521 4.464017 359.3871       37.16198 387.9000       49.45319 322.4000       56.32468 88.44717 5.743266 80.27618 7.246056 8.170990       9.246103 
1 1 1 10  2  34 o 57.18740 3.917571 161.5986       21.79677 193.2000       35.07474 141.7164       27.82105 62.22420 5.826524 53.29261 5.408162 8.931595       7.949628 
1 1 1 10  2  35 o 81.53329 3.157616 327.0707       25.15236 347.9753       35.78560 306.6606       35.35983 83.90348 4.372434 78.70644 4.609982 5.197044       6.353748 
1 1 1 10  2  36 o 68.48517 3.310482 231.1905       22.12614 224.8897       31.25002 237.5245       31.33232 67.28372 4.776023 69.18217 4.654000 -1.898445      6.668591 
1 1 1 10  2  37 o 67.53831 4.089746 225.9445       26.90993 214.7000       49.71204 230.6051       32.00442 64.74059 8.015825 68.07386 4.834579 -3.333275      9.360909 
1 1 1 10  2  38 o 145.8959 3.560114 1049.468       50.84090 1062.775       72.08217 1036.294       71.71900 146.1941 5.044788 144.3414 5.084121 1.852737       7.162274 
1 1 1 10  2  39 o 20.65268 6.777143 20.76025       15.82150 7.561687       22.06072 34.73862       22.70307 18.69515 7.629704 26.06363 8.071764 -7.368477      11.10701 
1 1 1 10  2  40 o 90.58429 3.214000 405.0158       28.45223 419.3007       40.41954 390.9853       40.05795 91.79649 4.512238 88.59489 4.635400 3.201599       6.468943 
1 1 1 10  2  41 o 18.48875 6.709311 14.59322       15.66325 13.65268       21.80662 15.59566       22.51259 19.95987 7.766852 20.63022 7.928064 -0.6703529     11.09857 
1 1 1 10  2  42 o 63.86483 3.624658 202.4338       22.56568 188.9162       31.44457 216.7873       32.40234 61.20248 5.301147 65.66721 5.080544 -4.464722      7.342622 
1 1 1 10  2  43 o 61.58311 3.649124 188.4784       21.89803 173.1451       30.48303 204.8288       31.47790 58.48940 5.384853 63.76284 5.085615 -5.273441      7.406762 
1 1 1 10  2  44 o 84.28860 4.013266 354.2902       33.01594 340.3680       38.36958 394.0000       64.80093 82.29100 4.784155 86.80411 7.706684 -4.513107      9.070893 
1 1 1 10  2  45 o 75.29143 3.431924 281.8635       25.22585 292.6805       35.60510 270.9614       35.74480 76.16127 4.800504 73.16664 5.021516 2.994629       6.946975 
1 1 1 10  2  46 o 40.86207 5.269956 85.96130       20.58790 73.88581       26.63053 103.9000       32.45809 36.88311 7.628360 43.79125 7.861203 -6.908142      10.95401 
1 1 1 10  2  47 o 96.57195 3.805490 466.5230       35.90184 465.9969       45.41140 467.4000       58.63012 95.87141 4.854959 94.86166 6.350867 1.009750       7.994006 
1 1 1 10  2  48 f 86.97751 4.123961 380.5200       35.00975 389.9439       41.01063 355.2000       67.22227 87.63453 4.799278 80.44353 8.674175 7.191002       9.913344 
1 1 1 10  2  49 o 22.41914 7.885600 25.19574       21.46573 38.06155       23.58849 -36.79000      51.77587 26.33688 8.238964 20.81211 9.808093 5.524775       12.80934 
1 1 1 10  2  50 o 51.66175 4.135988 135.1515       20.74027 138.0613       28.68509 131.9639       30.02299 51.40979 5.801602 49.98944 6.273578 1.420349       8.544962 
1 1 1 10  2  51 o 48.78335 4.619009 121.8015       21.79329 119.6000       33.42344 123.4296       28.74392 46.70910 7.569271 48.27982 6.227273 -1.570721      9.801673 
1 1 1 10  2  52 o 58.93192 3.860213 175.5309       22.14474 177.4797       31.29717 173.5770       31.33764 58.29617 5.551725 57.59611 5.630452 0.7000656      7.907189 
1 1 1 10  2  53 o 59.69748 4.758376 183.3975       27.57491 163.1000       52.08664 191.3015       32.50343 51.57116 10.67052 60.45190 5.555106 -8.880737      12.02993 
1 1 1 10  2  54 o 40.47731 5.499899 86.33760       21.22758 57.84000       32.64828 107.2076       27.93942 31.06632 9.689017 44.51637 6.612560 -13.45006      11.73043 
1 1 1 10  2  55 o 27.81582 6.624562 42.79110       17.77723 61.01231       25.39429 25.27972       24.89475 32.59917 8.015396 22.54577 8.410456 10.05339       11.61819 
1 1 1 10  2  56 o 36.09196 5.617609 69.30641       19.20026 63.08055       26.92270 75.75020       27.38987 32.93549 8.343109 36.44617 7.905624 -3.510689      11.49375 
1 1 1 10  2  57 o 37.72870 5.856685 76.25483       20.92774 92.39803       27.83976 55.28000       31.73363 40.73614 7.247650 30.23708 9.569489 10.49906       12.00431 
1 1 1 10  2  58 o 40.69426 5.584309 87.95463       21.65778 87.24547       28.16846 88.98000       33.87153 39.28920 7.599444 38.58337 9.114695 0.7058296      11.86715 
1 1 1 10  2  59 o 22.15331 7.689392 26.53226       20.37086 48.69784       26.69159 -4.389000      31.52560 28.56981 8.734977 18.42851 8.300478 10.14130       12.04980 
1 1 1 10  2  60 o 24.02075 8.324306 32.84088       23.86946 48.79898       26.91767 -25.89000      51.63929 28.37709 8.789257 20.55162 9.718486 7.825466       13.10344 
1 1 1 10  3  0  o 340.1031 6.497535 5667.130       216.3045 5678.439       307.3911 5656.037       304.4319 340.1313 9.241468 339.4668 9.170322 0.6645813      13.01920 
1 1 1 10  3  1  o 238.8087 5.484482 2793.243       128.2012 2749.513       155.5119 2886.000       226.4899 236.7919 6.716294 242.3650 9.565917 -5.573105      11.68826 
1 1 1 10  3  2  o 302.6494 6.756223 4488.087       200.1474 4576.766       248.9486 4326.000       336.5696 305.4190 8.335156 296.5718 11.61661 8.847137       14.29757 
1 1 1 10  3  3  o 243.8339 5.588628 2912.141       133.3846 2926.645       164.1982 2884.000       228.7170 244.2939 6.873556 242.2687 9.664228 2.025238       11.85930 
1 1 1 10  3  4  o 785.2284 16.85208 30398.75       1295.256 30458.84       1589.545 30280.00       2234.517 784.2726 20.72432 777.3776 29.41913 6.895020       35.98587 
1 1 1 10  3  5  o 237.0819 5.463784 2753.048       126.7938 2883.839       160.1007 2533.000       207.6649 242.5044 6.751343 227.0456 9.364334 15.45879       11.54432 
1 1 1 10  3  6  o 333.9142 7.381159 5464.859       241.2491 5642.499       302.0720 5152.000       400.8801 339.0473 9.110406 323.5104 12.68418 15.53690       15.61691 
1 1 1 10  3  7  o 706.2371 13.11513 24525.21       906.6285 24726.92       1290.817 24328.81       1273.687 707.2040 18.66352 701.5212 18.56512 5.682861       26.32471 
1 1 1 10  3  8  o 105.3205 3.374352 543.6075       34.74150 493.4000       60.58583 568.2046       42.40610 100.1607 6.210250 107.6494 4.031610 -7.488739      7.404127 
1 1 1 10  3  9  o 656.1811 14.10637 21194.58       906.0357 21700.00       1597.639 20954.96       1100.035 659.5759 24.79027 651.3066 17.27023 8.269287       30.21288 
1 1 1 10  3  10 o 375.2896 8.241054 6907.205       302.7300 6466.000       502.3825 7158.753       379.3363 362.1010 14.20174 381.7244 10.16143 -19.62341      17.46265 
1 1 1 10  3  11 o 354.1304 7.812516 6149.632       270.8073 6118.000       469.1537 6165.438       331.6339 352.2591 13.63224 354.2843 9.571914 -2.025269      16.65712 
1 1 1 10  3  12 o 169.6314 4.323023 1410.100       71.72093 1445.000       128.8123 1394.419       86.34256 171.4823 7.693767 168.6338 5.237220 2.848557       9.307122 
1 1 1 10  3  13 o 424.3125 9.264475 8840.394       384.7803 9166.000       685.4006 8690.549       464.9642 430.2832 16.30310 420.2134 11.31459 10.06979       19.84467 
1 1 1 10  3  14 o 185.0305 3.952374 1676.695       71.58262 1688.250       102.0013 1665.481       100.4820 185.5185 5.623595 184.2656 5.577481 1.252914       7.920424 
1 1 1 10  3  15 o 301.1976 5.850062 4447.179       172.4718 4571.415       248.5479 4331.797       239.5263 305.0086 8.332952 296.9131 8.249709 8.095428       11.72586 
1 1 1 10  3  16 o 131.0625 3.252594 841.1528       41.72673 835.9172       59.10460 846.3551       58.91686 130.5347 4.633173 131.3510 4.589525 -0.8163757     6.521505 
1 1 1 10  3  17 o 306.8385 5.958008 4617.492       178.9440 4676.241       255.2732 4560.732       250.9132 308.3409 8.466016 304.5131 8.426145 3.827759       11.94459 
1 1 1 10  3  18 o 282.1469 5.545187 3903.975       153.1432 4016.226       220.7832 3799.887       212.6027 285.7689 7.900633 277.9733 7.821525 7.795563       11.11738 
1 1 1 10  3  19 o 206.3433 4.312956 2086.623       87.11070 2176.195       126.5393 2005.936       120.0991 210.4899 6.148281 202.0893 6.078329 8.400650       8.645660 
1 1 1 10  3  20 o 59.20284 3.394707 172.2557       19.58964 185.5152       27.57579 158.7468       27.83389 61.34286 4.626695 56.67072 5.071296 4.672134       6.864717 
1 1 1 10  3  21 o 143.7003 4.008562 1012.787       56.32846 1015.263       69.38094 1008.000       96.48009 143.7969 4.936613 143.0595 6.910367 0.7373505      8.492544 
1 1 1 10  3  22 o 40.19308 7.796103 82.19403       29.56455 0.000000       0.000000 82.19403       29.56455 ?        ?        40.19308 7.796103 ?              ?        
1 1 1 10  3  23 o 126.0247 3.308785 778.6781       40.78069 800.0000       78.50494 770.7981       47.72513 127.4452 6.312788 125.3420 3.894679 2.103203       7.417534 
1 1 1 10  3  24 o 40.22461 4.610787 80.39915       17.82628 55.73000       28.83537 95.65948       22.67935 33.03183 8.771844 43.81508 5.402391 -10.78326      10.30199 
1 1 1 10  3  25 o 168.3144 4.401502 1390.437       72.45284 1290.000       117.4319 1452.168       92.06434 161.6851 7.440041 171.8803 5.479165 -10.19514      9.239883 
1 1 1 10  3  26 o 116.4168 3.244880 664.6403       36.93999 691.7020       52.21025 637.5147       52.27190 118.6557 4.503497 113.8864 4.699202 4.769318       6.508762 
1 1 1 10  3  27 o 173.3556 4.491097 1475.621       76.14310 1551.000       133.8074 1439.523       92.59737 177.1690 7.734532 171.0746 5.537063 6.094437       9.512206 
1 1 1 10  3  28 o 113.3505 4.485943 631.5844       49.67350 608.0000       68.27995 658.1000       72.39870 110.9697 6.312150 115.4463 6.432278 -4.476608      9.012072 
1 1 1 10  3  29 o 77.93712 4.316006 299.0588       32.79695 299.0588       32.79695 0.000000       0.000000 77.93712 4.316006 ?        ?        ?              ?        
1 1 1 10  3  30 o 210.2222 4.401768 2170.333       90.57574 2206.541       128.9013 2135.018       127.3006 211.5143 6.232830 208.0485 6.258261 3.465790       8.832553 
1 1 1 10  3  31 o 140.4514 3.993047 969.3631       54.83978 933.7180       65.26247 1055.000       101.1565 137.7100 4.849201 145.9039 7.104416 -8.193863      8.601597 
1 1 1 10  3  32 o 42.90969 5.061244 91.90022       20.84930 104.9941       24.25697 54.87000       40.79253 45.82677 5.518629 33.47252 10.87559 12.35426       12.19564 
1 1 1 10  3  33 o 151.7112 3.583696 1130.508       53.21755 1136.862       74.95192 1124.048       75.57390 151.7860 5.051849 150.9095 5.123648 0.8764648      7.195342 
1 1 1 10  3  34 o 33.02872 5.078137 55.06392       15.89242 75.16146       21.61275 31.40415       23.45005 38.53533 5.918841 25.40861 8.245099 13.12672       10.14960 
1 1 1 10  3  35 o 40.52434 4.769033 82.17091       18.55526 88.27000       27.75640 77.24294       24.94964 41.51831 7.083927 38.83971 6.810900 2.678604       9.827024 
1 1 1 10  3  36 o 86.31416 3.195403 366.7864       26.95029 352.6265       37.43368 382.0238       38.83169 84.37221 4.549526 87.83218 4.532081 -3.459969      6.421678 
1 1 1 10  3  37 o 42.84798 4.357218 91.64226       18.02059 76.29488       24.16962 110.8534       27.04145 38.53277 6.648306 46.78682 6.045942 -8.254051      8.986289 
1 1 1 10  3  38 o 92.34674 3.849300 421.7314       34.71812 399.3000       61.54861 432.1994       42.04575 88.73581 7.146593 93.27699 4.619496 -4.541176      8.509614 
1 1 1 10  3  39 o 17.11151 6.584543 10.10433       15.54328 6.406385       21.10250 14.48971       22.98041 18.11242 7.435067 20.56203 7.980971 -2.449615      10.90762 
1 1 1 10  3  40 o 22.26604 6.704140 25.33813       15.80605 18.91885       21.12836 33.49649       23.81901 21.17054 7.775212 25.74748 8.305989 -4.576942      11.37732 
1 1 1 10  3  41 o 18.66218 6.833438 14.59877       16.30076 18.34110       21.72952 9.782320       24.65149 21.12582 7.862138 19.91615 8.088655 1.209669       11.28005 
1 1 1 10  3  42 o 93.45296 3.312350 431.9115       30.25159 435.3513       42.20737 428.2778       43.38119 93.36433 4.632973 92.53043 4.806200 0.8339081      6.675627 
1 1 1 10  3  43 o 64.79102 3.657712 208.6106       23.10272 178.8288       31.33400 244.0853       34.19790 59.41430 5.448492 69.63896 5.051302 -10.22466      7.429786 
1 1 1 10  3  44 o 59.55588 3.772131 176.8676       21.87663 176.4702       30.46702 177.2907       31.43200 58.94888 5.337972 59.01991 5.504325 -0.7103348E-01 7.667564 
1 1 1 10  3  45 o 25.50347 7.147650 34.81683       18.55518 37.15812       24.07332 31.39000       29.12426 26.41566 8.331586 25.40500 9.158398 1.010656       12.38110 
1 1 1 10  3  46 o 51.55257 4.522489 134.5736       22.59003 137.7541       29.41390 130.0000       35.27246 51.55677 5.936812 49.24824 7.558121 2.308529       9.610980 
1 1 1 10  3  47 o 42.53650 5.941426 94.51311       24.06369 97.15604       27.09373 84.64000       52.36644 42.79347 6.686887 37.29500 12.33392 5.498466       14.02997 
1 1 1 10  3  48 o 34.17815 7.112143 63.43095       23.01794 63.66855       25.65451 62.45000       52.12775 33.91068 7.879553 33.02169 12.19802 0.8889885      14.52168 
1 1 1 10  3  49 o 74.35871 3.530538 276.5548       25.62340 296.8600       35.94022 255.5648       36.54119 76.33940 4.834621 70.50972 5.334096 5.829681       7.199038 
1 1 1 10  3  50 o 19.85650 6.944610 19.40315       16.63277 9.706840       22.57243 30.92255       24.60312 18.73835 7.690576 24.29102 8.449395 -5.552675      11.42529 
1 1 1 10  3  51 o 38.10546 5.121911 75.49483       18.62071 67.49766       25.46101 84.69075       27.30265 34.79938 7.680738 39.26139 7.375225 -4.462013      10.64837 
1 1 1 10  3  52 o 30.82211 6.636708 52.04918       19.42998 49.34000       29.70385 54.07530       25.68784 29.10841 9.263931 30.66557 8.339505 -1.557159      12.46466 
1 1 1 10  3  53 o 18.54510 7.137819 14.38745       18.26805 1.911000       28.48139 23.10776       23.81121 18.75889 8.195361 21.89856 8.213888 -3.139673      11.60310 
1 1 1 10  3  54 o 25.73626 7.951468 37.32154       22.04663 57.10000       50.28932 32.61592       24.52945 30.89023 11.85482 24.45409 8.440342 6.436136       14.55253 
1 1 1 10  3  55 o 22.82395 7.072162 28.60075       17.42557 33.61624       25.01809 23.87480       24.28520 24.69909 8.524035 22.11159 8.294937 2.587498       11.89391 
1 1 1 10  3  56 o 42.68361 4.836914 94.63824       19.85278 110.5903       28.42073 79.43717       27.74365 45.10868 6.634830 37.38561 7.832638 7.723064       10.26505 
1 1 1 10  3  57 o 41.26884 5.517328 90.19386       21.72942 84.76861       28.66746 97.52000       33.31326 38.56339 7.861576 40.89118 8.596334 -2.327789      11.64909 
1 1 1 10  3  58 o 39.87291 7.800456 90.43156       29.35332 90.43156       29.35332 0.000000       0.000000 39.87291 7.800456 ?        ?        ?              ?        
1 1 1 10  3  59 o 47.68583 6.005532 122.3232       27.41121 137.0371       31.64800 78.14000       54.84188 50.03749 6.624237 33.46318 12.48308 16.57431       14.13180 
1 1 1 10  3  60 o 33.70187 6.267925 62.69258       19.91601 66.57722       28.57347 59.02214       27.77452 33.12562 8.701582 31.13163 8.751984 1.993988       12.34159 
1 1 1 10  4  0  o 308.9303 6.883821 4676.556       208.1596 4585.813       252.0949 4871.000       369.0239 305.7097 8.432640 314.6707 12.00297 -8.960999      14.66904 
1 1 1 10  4  1  o 174.3232 5.269373 1489.680       89.80933 1349.000       120.1204 1668.000       135.2385 165.7397 7.423138 184.3257 7.511369 -18.58595      10.56048 
1 1 1 10  4  2  o 218.8025 5.107448 2344.630       109.3862 2326.831       133.4958 2381.000       190.8258 217.8434 6.267129 220.1654 8.873038 -2.322052      10.86314 
1 1 1 10  4  3  o 506.0244 10.92599 12571.05       541.1761 12718.72       668.4020 12290.00       922.0863 508.4071 13.44315 498.4373 18.93412 9.969727       23.22110 
1 1 1 10  4  4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  4  5  o 297.7966 5.758429 4344.119       167.8533 4338.883       237.2930 4349.363       237.4681 297.3728 8.159964 297.7323 8.156096 -0.3595581     11.53720 
1 1 1 10  4  6  o 663.9183 12.33374 21662.26       801.5225 22060.21       1148.957 21285.00       1118.696 668.3415 17.57828 656.5375 17.42330 11.80396       24.75010 
1 1 1 10  4  7  o 66.37321 3.456051 216.2623       22.37590 225.8593       28.41602 200.6000       36.30145 67.77914 4.305380 63.72048 5.886729 4.058662       7.293139 
1 1 1 10  4  8  o 412.2459 7.779490 8331.876       313.9162 8404.257       447.0696 8261.484       440.8840 413.5211 11.05506 410.0003 10.99578 3.520782       15.59235 
1 1 1 10  4  9  o 221.9437 5.201627 2412.749       113.0026 2518.000       203.0061 2365.495       136.0248 226.3553 9.181517 219.6259 6.334062 6.729462       11.15440 
1 1 1 10  4  10 o 218.0642 5.144740 2329.184       109.8131 2224.000       187.4190 2384.172       135.5103 212.7117 9.022012 220.4893 6.285244 -7.777527      10.99550 
1 1 1 10  4  11 o 263.4193 6.009534 3400.094       154.9510 3364.000       268.8027 3418.057       189.6277 261.4851 10.52370 263.9345 7.347205 -2.449341      12.83471 
1 1 1 10  4  12 o 298.9616 6.713840 4381.412       196.4683 4526.000       350.2542 4315.033       237.3199 303.1091 11.82804 296.4588 8.186148 6.650299       14.38456 
1 1 1 10  4  13 o 309.9352 6.939406 4710.415       210.5229 4906.000       377.0725 4621.839       253.7542 315.4287 12.23607 306.7476 8.459422 8.681091       14.87559 
1 1 1 10  4  14 o 199.8987 4.853581 1957.731       94.96824 1819.000       160.6085 2032.314       117.7609 192.2846 8.554730 203.5332 5.917265 -11.24855      10.40180 
1 1 1 10  4  15 o 150.7489 3.485898 1112.873       51.43692 1119.373       73.41213 1106.605       72.09144 151.0600 4.971690 150.1994 4.910134 0.8606415      6.987640 
1 1 1 10  4  16 o 110.1616 3.068527 594.6998       33.05547 579.4659       46.74474 609.9374       46.75024 108.6649 4.403903 111.4973 4.291655 -2.832390      6.149200 
1 1 1 10  4  17 o 185.3741 3.976013 1683.433       72.14446 1777.155       105.4228 1600.882       98.94079 190.2854 5.666397 180.5990 5.603762 9.686371       7.969329 
1 1 1 10  4  18 o 86.41409 3.022256 366.1391       25.52425 373.9058       36.59935 358.7848       35.61428 87.24583 4.298944 85.46123 4.270977 1.784607       6.059882 
1 1 1 10  4  19 o 65.57247 3.639450 211.2902       23.26786 213.1619       28.56573 207.6000       40.10936 65.79662 4.461821 64.71569 6.416226 1.080925       7.815101 
1 1 1 10  4  20 f 142.2616 4.061696 992.6046       56.50103 968.5000       101.2370 1003.509       68.09245 140.1734 7.404757 142.9750 4.872677 -2.801620      8.864164 
1 1 1 10  4  21 o 217.0412 4.489472 2309.522       95.37700 2379.000       190.7125 2286.349       110.1399 219.5439 8.893061 215.8838 5.212166 3.660110       10.30792 
1 1 1 10  4  22 o 43.02369 4.252257 91.62769       17.67350 113.2000       28.08543 77.48490       22.74051 47.61515 6.171016 39.25933 6.116921 8.355820       8.688969 
1 1 1 10  4  23 o 194.6699 4.155409 1857.929       79.18062 2014.000       162.2839 1809.166       90.71072 202.0064 8.224567 191.9794 4.831066 10.02704       9.538486 
1 1 1 10  4  24 o 165.2635 3.749749 1338.698       60.65762 1384.000       119.1144 1322.837       70.48083 167.5332 7.281076 164.1776 4.389760 3.355545       8.502003 
1 1 1 10  4  25 o 227.7663 4.678307 2545.247       104.3000 2544.000       205.3748 2545.680       121.0758 226.7072 9.274565 227.6877 5.432646 -0.9804382     10.74854 
1 1 1 10  4  26 o 171.8900 3.830598 1448.603       64.45007 1451.320       90.21758 1445.771       92.10403 171.8209 5.370846 171.4740 5.494587 0.3468475      7.683520 
1 1 1 10  4  27 o 233.3749 5.476214 2676.121       125.0952 2701.757       153.7951 2626.000       215.0436 234.1621 6.716897 230.0549 9.570585 4.107239       11.69242 
1 1 1 10  4  28 o 189.5123 4.102543 1761.970       76.10210 1820.100       108.1402 1704.935       107.1164 192.3049 5.751472 186.0907 5.888055 6.214157       8.230954 
1 1 1 10  4  29 o 91.72884 3.131855 412.9359       28.07866 424.4627       38.25919 399.4794       41.33768 92.89922 4.218443 90.06271 4.705480 2.836517       6.319557 
1 1 1 10  4  30 o 241.3412 6.935035 2877.942       163.6575 2877.942       163.6575 0.000000       0.000000 241.3412 6.935035 ?        ?        ?              ?        
1 1 1 10  4  31 o 65.60963 3.857725 212.0553       24.66519 199.7416       28.55923 248.2000       48.92998 63.57681 4.620790 70.47797 7.193523 -6.901157      8.549765 
1 1 1 10  4  32 o 25.77191 6.274524 34.12399       15.67777 35.18316       20.67670 32.69149       24.04628 26.33442 7.600624 25.93510 8.343617 0.3993187      11.28652 
1 1 1 10  4  33 o 157.5066 3.667067 1218.893       56.53584 1206.982       78.67002 1231.615       81.30244 156.3580 5.147252 157.9150 5.267231 -1.557007      7.364639 
1 1 1 10  4  34 f 130.2828 3.362003 834.4899       42.83791 876.7236       61.07825 793.6016       60.09755 133.2583 4.689900 126.7363 4.853477 6.522018       6.749177 
1 1 1 10  4  35 o 140.4503 3.468134 970.0801       47.67873 944.7853       66.02052 997.6531       68.92931 138.1970 4.888309 141.9910 4.967139 -3.794052      6.969077 
1 1 1 10  4  36 o 72.40553 3.672644 258.8132       25.94394 264.5000       40.68680 254.9166       33.67916 72.74677 5.760915 71.63126 4.831710 1.115517       7.518880 
1 1 1 10  4  37 o 109.2774 3.707115 589.3674       39.59527 597.5000       65.02587 584.5751       49.91619 109.2543 6.104809 108.5537 4.708958 0.7005692      7.709927 
1 1 1 10  4  38 o 69.83721 3.401916 240.9095       23.18505 260.8213       32.23917 219.5800       33.36715 72.41125 4.571875 66.25786 5.186178 6.153397       6.913644 
1 1 1 10  4  39 o 82.68542 3.947325 338.7817       31.85532 338.4000       57.42733 338.9514       38.28553 81.45417 7.279407 82.47576 4.762699 -1.021591      8.699027 
1 1 1 10  4  40 o 61.87954 4.547816 191.1740       27.35343 160.3000       49.34848 204.8665       32.86397 54.81114 9.544728 63.84631 5.306621 -9.035164      10.92072 
1 1 1 10  4  41 o 44.91336 4.338480 101.0495       18.83587 115.1905       25.62500 84.42847       27.78136 47.63609 5.602683 40.14919 7.339582 7.486900       9.233608 
1 1 1 10  4  42 o 33.18238 5.868035 56.96593       18.36219 51.10806       24.55480 64.39760       27.65727 30.90538 8.041250 34.63017 8.272876 -3.724785      11.53699 
1 1 1 10  4  43 o 106.1569 3.980688 560.4995       41.28977 531.7087       48.00163 642.4000       80.96034 103.0303 4.772722 111.4758 7.462673 -8.445435      8.858350 
1 1 1 10  4  44 o 40.19862 5.321378 82.76230       20.42450 79.66394       26.11790 87.64000       32.77024 38.77057 7.145440 40.09933 8.606563 -1.328758      11.18616 
1 1 1 10  4  45 o 51.67165 4.566862 134.9671       22.86057 106.3176       28.64725 185.2000       37.93314 44.97407 6.712706 59.63392 6.609433 -14.65985      9.420458 
1 1 1 10  4  46 o 61.38267 4.630116 190.7102       27.61405 191.2139       31.41871 189.0000       57.89138 61.15404 5.301069 57.29323 10.71682 3.860809       11.95624 
1 1 1 10  4  47 o 83.65074 4.208281 352.0719       34.34658 387.2265       40.35052 259.6000       65.44292 87.42519 4.732915 67.47257 10.22936 19.95261       11.27121 
1 1 1 10  4  48 o 68.88647 3.683031 237.7237       24.74366 247.9634       34.42204 226.7755       35.59298 69.64371 5.084533 66.32788 5.532634 3.315826       7.514154 
1 1 1 10  4  49 o 55.99636 4.069131 158.2904       22.15104 145.8754       29.69865 173.8565       33.25469 52.90525 5.831604 57.71964 5.972212 -4.814384      8.347151 
1 1 1 10  4  50 o 41.00582 4.820356 86.57451       18.97867 96.58637       26.15007 75.43182       27.58737 42.54449 6.484159 36.78680 7.897584 5.757698       10.21842 
1 1 1 10  4  51 o 97.26723 3.437451 473.4093       32.67578 488.9509       46.08560 457.6980       46.33648 97.82066 4.828057 94.46677 5.029279 3.353889       6.971641 
1 1 1 10  4  52 o 65.99020 3.706143 219.5128       23.84291 253.0961       34.26250 187.9791       33.20049 70.03539 5.031519 59.84611 5.737845 10.18929       7.631451 
1 1 1 10  4  53 o 25.97118 7.242675 37.76757       19.10243 21.75000       29.32784 49.57014       25.17503 22.49937 8.930236 29.28051 8.366743 -6.781137      12.23730 
1 1 1 10  4  54 o 20.26863 7.304992 20.26225       18.52781 47.76000       29.46059 2.270300       23.83044 28.58649 9.238754 17.47238 7.566111 11.11411       11.94155 
1 1 1 10  4  55 o 30.60148 7.711702 53.39605       23.08690 90.87000       49.90359 43.19161       26.04124 36.87729 12.03227 27.33366 8.671057 9.543633       14.83114 
1 1 1 10  4  56 o 41.56290 5.558305 91.41186       22.04645 86.78130       29.13038 97.62000       33.72958 39.07343 7.888668 40.91813 8.690167 -1.844707      11.73670 
1 1 1 10  4  57 o 40.40671 5.703810 86.98708       21.93254 67.01580       29.01763 113.6000       33.49696 33.62479 8.737866 44.71009 7.945200 -11.08531      11.81002 
1 1 1 10  4  58 o 52.18410 6.492265 147.5268       32.44692 147.5268       32.44692 0.000000       0.000000 52.18410 6.492265 ?        ?        ?              ?        
1 1 1 10  4  59 o 21.36813 7.421996 24.41787       18.98029 32.47826       26.78680 16.29046       26.89791 24.22920 8.776606 20.64268 8.424662 3.586527       12.16568 
1 1 1 10  4  60 o 32.47621 6.430261 58.70202       19.71742 74.44081       28.21606 43.68157       27.56464 35.36029 8.296085 26.90560 8.950212 8.454695       12.20374 
1 1 1 10  5  0  o 118.3518 4.227012 686.7245       48.88960 638.9000       66.60320 742.6000       71.99141 114.0454 5.987353 122.9757 5.998840 -8.930305      8.475522 
1 1 1 10  5  1  o 517.2205 13.71853 13166.76       693.9144 12680.00       955.4952 13710.00       1009.409 506.1602 19.32113 526.2509 19.63044 -20.09067      27.54379 
1 1 1 10  5  2  o 275.4523 6.208482 3717.176       167.3933 3793.381       207.9750 3577.000       282.0689 278.0834 7.647904 269.7267 10.70504 8.356689       13.15631 
1 1 1 10  5  3  o 303.5980 6.771544 4516.546       201.2300 4551.742       248.1797 4449.000       343.8124 304.5693 8.332629 300.7284 11.70228 3.840942       14.36580 
1 1 1 10  5  4  o 250.7530 4.958791 3079.339       121.7105 3177.606       176.1049 2989.479       168.4027 254.5370 7.075153 246.8887 6.975528 7.648224       9.935581 
1 1 1 10  5  5  o 179.9468 4.419063 1585.613       77.83600 1427.000       128.5180 1677.496       97.81630 170.4416 7.723462 184.9836 5.408019 -14.54205      9.428601 
1 1 1 10  5  6  o 278.0267 5.424919 3786.223       147.6339 3716.215       206.6510 3859.201       210.9882 275.2243 7.678371 280.4720 7.692592 -5.247650      10.86892 
1 1 1 10  5  7  o 467.3286 8.762672 10712.19       400.8346 10627.96       564.0541 10798.12       569.7199 464.8105 12.40873 468.5143 12.43416 -3.703827      17.56658 
1 1 1 10  5  8  o 230.0693 4.624475 2592.204       104.1423 2601.388       148.1740 2583.240       146.4009 230.3080 6.579640 229.5067 6.523538 0.8013306      9.265430 
1 1 1 10  5  9  f 399.1036 7.549695 7809.308       294.9315 7873.566       419.9439 7746.764       414.3057 400.2412 10.72890 397.0120 10.67100 3.229187       15.13207 
1 1 1 10  5  10 o 264.2461 6.019977 3421.415       155.7075 3264.000       263.8220 3505.558       192.8846 257.5760 10.48596 267.2953 7.379310 -9.719208      12.82223 
1 1 1 10  5  11 o 215.0339 5.097849 2265.090       107.3001 2239.000       187.9474 2277.705       130.6919 213.3966 9.018259 215.4960 6.202335 -2.099380      10.94523 
1 1 1 10  5  12 o 335.2279 7.441648 5511.678       244.1831 5406.000       419.7916 5565.718       300.1931 331.0292 12.98087 336.5649 9.120657 -5.535706      15.86472 
1 1 1 10  5  13 o 414.3528 9.065999 8432.319       367.6988 7835.000       607.0524 8778.464       462.1165 397.7356 15.62324 422.2375 11.19107 -24.50183      19.21785 
1 1 1 10  5  14 o 118.4767 3.701201 688.0909       42.86955 599.0000       76.62515 728.6826       51.72173 110.2690 7.137582 121.8887 4.342080 -11.61967      8.354564 
1 1 1 10  5  15 o 267.2583 6.115816 3502.542       159.9897 3474.000       278.2068 3516.646       195.5622 265.4190 10.73064 267.5642 7.474402 -2.145203      13.07721 
1 1 1 10  5  16 o 127.4836 3.235112 796.3923       40.33655 829.1644       58.82500 767.3079       55.41645 129.9985 4.630325 125.0558 4.534696 4.942703       6.481001 
1 1 1 10  5  17 o 176.0001 3.857361 1517.464       66.45219 1524.846       94.87959 1510.357       93.10085 176.2545 5.506294 175.4215 5.428596 0.8329926      7.732330 
1 1 1 10  5  18 o 91.86061 3.523101 413.9570       31.61949 414.0432       39.34747 413.8000       53.12642 91.81058 4.391154 91.64365 5.954700 0.1669312      7.398695 
1 1 1 10  5  19 o 67.91817 3.950473 226.7922       26.14945 202.3000       54.29406 234.1893       29.83814 63.47905 8.989254 68.97998 4.442814 -5.500927      10.02723 
1 1 1 10  5  20 f 284.6501 6.442935 3979.039       179.5152 4026.000       311.1641 3955.612       219.7775 285.1424 11.17024 283.4540 7.929054 1.688416       13.69833 
1 1 1 10  5  21 o 64.24259 3.319910 202.7258       20.80558 265.5000       36.51550 172.5504       25.31705 73.39015 5.115171 59.16264 4.403365 14.22751       6.749415 
1 1 1 10  5  22 o 304.0112 5.928871 4538.651       176.4281 4721.000       359.3867 4480.751       202.5098 308.2505 11.93365 301.8943 6.853066 6.356232       13.76141 
1 1 1 10  5  23 o 170.3845 3.799849 1422.927       63.37277 1498.000       126.0427 1397.529       73.31334 174.3049 7.404444 168.7530 4.442252 5.551956       8.634778 
1 1 1 10  5  24 o 78.85688 3.635030 305.4213       27.98234 354.7000       44.01948 272.0051       36.24880 84.83485 5.327986 74.28078 5.014921 10.55408       7.316889 
1 1 1 10  5  25 o 220.8616 4.581801 2393.123       99.05186 2458.000       197.0861 2371.197       114.5731 222.8782 9.052885 219.7544 5.326462 3.123718       10.50362 
1 1 1 10  5  26 o 151.3262 4.132028 1123.946       61.14727 993.8000       95.80482 1213.405       79.42953 141.9125 6.917849 157.1131 5.171965 -15.20065      8.637468 
1 1 1 10  5  27 o 131.9554 3.806590 854.5773       49.11511 868.7778       59.95384 825.6000       85.64311 132.9611 4.613652 129.2982 6.790766 3.662827       8.209767 
1 1 1 10  5  28 o 87.20753 3.185378 373.2579       27.14507 369.8545       35.87639 377.8154       41.51600 86.71404 4.239665 87.57631 4.862177 -0.8622742     6.451009 
1 1 1 10  5  29 o 228.1932 5.405334 2560.950       120.7345 2583.980       147.9280 2515.000       208.9517 228.8478 6.610783 224.7985 9.517655 4.049240       11.58828 
1 1 1 10  5  30 o 81.94698 3.587911 330.0821       28.70959 320.4471       33.39084 357.4000       56.22458 80.66952 4.243672 84.81521 6.830169 -4.145691      8.041142 
1 1 1 10  5  31 o 100.2575 3.554204 493.9116       34.82393 484.2877       41.78408 515.8000       63.01474 99.18044 4.314384 102.0206 6.341626 -2.840172      7.670080 
1 1 1 10  5  32 o 85.27379 3.196060 357.3155       26.62977 371.9428       36.44605 340.5626       39.00435 86.86533 4.299814 83.03300 4.819777 3.832336       6.458997 
1 1 1 10  5  33 o 115.4816 3.242630 655.2706       36.61729 658.9359       50.61349 651.2452       53.04110 115.5973 4.481630 114.8711 4.727424 0.7261581      6.514103 
1 1 1 10  5  34 o 61.55517 3.419565 186.7826       20.52255 181.8223       27.22772 193.3076       31.22842 60.54750 4.629293 62.34349 5.163716 -1.795990      6.935007 
1 1 1 10  5  35 o 75.82663 3.212754 283.1013       23.79141 310.7830       32.98970 253.1013       34.34339 79.27669 4.267072 71.38635 4.945553 7.890335       6.531952 
1 1 1 10  5  36 o 66.94859 3.350935 221.0667       21.88925 228.1384       29.71429 212.6757       32.36779 67.80597 4.502547 65.32859 5.102225 2.477379       6.804824 
1 1 1 10  5  37 o 41.22285 4.962954 85.45506       19.62317 81.51000       28.71431 88.91198       26.87921 39.54877 7.694555 41.58807 6.840634 -2.039299      10.29565 
1 1 1 10  5  38 o 78.18920 3.682934 302.3332       28.10766 328.1000       44.31062 284.9845       36.35894 80.91438 5.629802 75.59318 4.940937 5.321198       7.490496 
1 1 1 10  5  39 o 48.83982 3.996501 118.7623       18.93865 107.6438       25.33987 132.8321       28.50527 46.05574 5.745634 51.21770 5.787138 -5.161961      8.154953 
1 1 1 10  5  40 o 11.66014 5.670836 -35.10864      20.59316 -21.69000      40.97916 -39.64218      23.81921 20.29284 9.267109 12.60034 6.121389 7.692497       11.10634 
1 1 1 10  5  41 o 38.36197 6.543165 76.30466       23.68874 53.52000       46.21623 84.42371       27.58837 32.64610 11.56287 40.15289 7.287770 -7.506794      13.66790 
1 1 1 10  5  42 o 36.67482 5.337364 68.74275       18.59845 81.54126       25.14782 53.29119       27.63165 39.56087 6.735346 31.46510 8.686700 8.095768       10.99198 
1 1 1 10  5  43 o 78.40620 3.816499 305.7995       29.20217 336.2054       37.32242 257.8000       46.89313 81.89577 4.675308 70.69794 6.862584 11.19782       8.303828 
1 1 1 10  5  44 o 73.27754 3.522148 266.9779       25.18902 251.0935       34.51651 285.0753       36.84244 70.48376 5.036198 75.12093 5.039659 -4.637161      7.124707 
1 1 1 10  5  45 o 103.7141 3.986754 537.7147       40.39744 553.8837       48.04465 498.7000       74.63072 104.8427 4.693570 96.92778 7.935576 7.914894       9.219706 
1 1 1 10  5  46 o 28.69537 7.667022 45.04498       21.94503 35.38837       24.12275 91.40000       52.85216 25.76901 8.362561 38.78539 12.35874 -13.01638      14.92216 
1 1 1 10  5  47 o 40.61176 5.093574 84.94967       19.80375 88.94553       27.11486 80.38113       28.99281 40.69411 7.063256 38.17838 8.014069 2.515724       10.68246 
1 1 1 10  5  48 o 47.99040 4.438318 117.0242       20.61257 135.3663       28.68740 97.44774       29.63694 50.98296 5.854694 42.39327 7.411890 8.589691       9.445292 
1 1 1 10  5  49 o 56.97279 3.965255 163.6433       21.97485 158.1998       29.98660 169.9575       32.29600 55.20876 5.627578 57.10632 5.860825 -1.897568      8.125202 
1 1 1 10  5  50 o 29.14341 6.464715 46.07219       17.95863 13.39093       24.17490 86.31499       26.82621 19.92553 8.039804 39.80984 7.146977 -19.88432      10.75722 
1 1 1 10  5  51 o 26.57063 6.817765 38.84415       17.81812 26.40172       23.95786 54.24528       26.65457 22.90738 8.299890 30.74258 8.548763 -7.835199      11.91510 
1 1 1 10  5  52 o 35.15868 7.200736 68.54462       23.94640 88.91000       48.55867 62.00048       27.52625 36.94519 11.85392 32.71140 8.515274 4.233799       14.59539 
1 1 1 10  5  53 o 21.14369 7.071157 23.62486       17.20140 3.383475       23.36615 47.57310       25.41580 17.52362 7.539540 28.66880 8.470117 -11.14519      11.33964 
1 1 1 10  5  54 o 16.36812 6.820183 5.946118       18.12265 20.29000       27.62828 -4.886407      24.00962 21.87368 8.672197 16.32765 7.307688 5.546028       11.34060 
1 1 1 10  5  55 o 42.17506 5.878432 94.82696       23.60888 100.8000       33.56751 88.98000       33.21132 41.76487 8.500528 38.87179 8.918349 2.893082       12.32055 
1 1 1 10  5  56 o 38.75798 7.596286 84.62424       27.78749 108.8000       51.82563 74.87000       32.91934 40.11204 12.15306 35.23289 9.379851 4.879147       15.35182 
1 1 1 10  5  57 o 16.31747 7.410981 -8.319772      25.75756 -8.319772      25.75756 0.000000       0.000000 16.31747 7.410981 ?        ?        ?              ?        
1 1 1 10  5  58 o 27.83640 7.481160 44.29509       20.81894 53.07203       27.79622 33.08000       31.42067 29.81722 8.870161 24.89431 9.414170 4.922907       12.93470 
1 1 1 10  5  59 o 12.26936 5.830917 -19.73365      19.04167 -4.261737      25.45552 -39.39000      28.69204 16.69990 7.495512 13.87493 6.735460 2.824968       10.07716 
1 1 1 10  5  60 o 49.92384 4.564294 129.6244       22.05777 119.4622       31.32487 139.6190       31.06554 46.01188 7.190411 50.42728 6.440517 -4.415401      9.653096 
1 1 1 10  6  0  o 256.7831 7.178582 3234.097       180.2540 3014.000       243.4852 3501.000       268.1281 247.6182 10.06677 266.8808 10.28329 -19.26262      14.39048 
1 1 1 10  6  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  6  2  o 216.9999 6.239112 2308.950       132.3846 2293.000       186.9314 2325.000       187.5101 216.0411 8.858530 217.5491 8.823954 -1.507980      12.50343 
1 1 1 10  6  3  o 411.2025 7.757200 8289.105       312.2245 8596.131       453.2364 8011.818       430.7274 418.2433 11.08083 403.7939 10.90773 14.44946       15.54874 
1 1 1 10  6  4  o 579.1644 10.79154 16469.79       611.7748 16515.54       867.8730 16424.61       862.5125 578.8162 15.33175 577.2338 15.27881 1.582458       21.64497 
1 1 1 10  6  5  o 597.4216 11.12934 17529.22       650.8132 17397.13       916.6694 17663.48       924.1540 593.9105 15.78231 598.4403 15.79054 -4.529785      22.32538 
1 1 1 10  6  6  o 475.0837 8.905414 11071.77       414.1241 10894.96       579.3602 11256.49       592.1696 470.5686 12.58954 478.3039 12.65954 -7.735291      17.85386 
1 1 1 10  6  7  o 248.3892 4.932305 3021.746       119.9192 3092.688       172.8024 2955.844       166.5530 251.0951 7.037750 245.4805 6.938491 5.614563       9.882944 
1 1 1 10  6  8  o 406.3028 7.678819 8094.138       305.3869 8110.978       433.3049 8077.517       430.4737 406.2028 10.90781 405.3715 10.85872 0.8313293      15.39130 
1 1 1 10  6  9  o 437.0722 8.229546 9369.978       352.0751 9276.459       495.0087 9465.722       500.8617 434.2514 11.65624 438.6584 11.67539 -4.406982      16.49796 
1 1 1 10  6  10 o 348.6062 6.663436 5956.826       227.3734 5863.230       318.6324 6053.936       324.5585 345.4628 9.431678 351.0370 9.454303 -5.574127      13.35441 
1 1 1 10  6  11 o 195.5087 4.759984 1872.322       91.09150 1823.000       159.2491 1896.307       111.0534 192.5533 8.470007 196.6328 5.776183 -4.079453      10.25209 
1 1 1 10  6  12 f 585.6492 12.64560 16898.28       724.9088 17260.00       1276.495 16726.09       880.7009 587.4257 22.24053 581.4951 15.48684 5.930603       27.10135 
1 1 1 10  6  13 o 194.1266 4.751392 1846.272       90.28426 1767.000       156.4871 1885.824       110.5363 189.5143 8.457183 196.0627 5.766016 -6.548325      10.23576 
1 1 1 10  6  14 o 239.7973 5.582227 2818.678       131.0261 2865.000       232.7659 2797.193       158.5278 241.1577 9.881732 238.6959 6.791973 2.461792       11.99081 
1 1 1 10  6  15 o 93.14808 3.532016 425.5470       32.14514 447.4000       64.05379 418.1907       37.16386 95.23591 6.918463 92.30225 4.123825 2.933655       8.054257 
1 1 1 10  6  16 o 207.2494 5.019836 2105.415       101.8331 2289.000       190.0209 2031.448       120.6156 215.5368 9.026847 203.4140 6.064591 12.12282       10.87489 
1 1 1 10  6  17 o 152.4970 4.136753 1140.313       61.69156 1121.385       75.61305 1178.000       106.6933 151.1485 5.118156 154.7209 7.063645 -3.572418      8.722993 
1 1 1 10  6  18 o 114.3550 3.798809 641.4011       42.46249 555.4000       78.01004 677.6102       50.61825 106.0366 7.565738 117.4989 4.408979 -11.46236      8.756682 
1 1 1 10  6  19 o 163.1444 3.705163 1304.051       59.16786 1345.154       85.76752 1266.727       81.73038 165.5169 5.300717 160.6238 5.205247 4.893143       7.429145 
1 1 1 10  6  20 o 128.3585 3.266992 807.6146       41.01341 837.2000       78.57429 796.5354       48.08340 130.4327 6.171935 127.4349 3.859235 2.997803       7.279181 
1 1 1 10  6  21 o 180.2167 3.923170 1591.805       69.20513 1779.000       143.7749 1535.355       78.95333 189.9687 7.748318 176.8890 4.563797 13.07970       8.992479 
1 1 1 10  6  22 o 49.34640 3.671646 119.9937       17.60756 114.1000       27.33086 124.1755       23.02166 47.83302 5.966790 50.09104 4.752218 -2.258015      7.627985 
1 1 1 10  6  23 o 211.8563 4.411089 2201.157       91.47311 2333.000       185.4211 2158.750       105.1603 217.2871 8.735852 209.7306 5.122523 7.556549       10.12696 
1 1 1 10  6  24 o 87.49682 3.533828 375.8118       30.20296 391.3000       46.91403 364.8484       39.47072 89.10902 5.404073 86.10775 4.700856 3.001274       7.162545 
1 1 1 10  6  25 o 90.99883 3.615634 406.5375       32.14113 428.8000       50.25784 391.1314       41.80848 93.27229 5.529659 89.14658 4.809104 4.125717       7.328343 
1 1 1 10  6  26 o 92.97290 3.548568 424.3468       32.23426 456.1000       52.50414 405.1384       40.83623 96.18164 5.601165 90.74335 4.612661 5.438293       7.256011 
1 1 1 10  6  27 o 130.4680 3.353852 834.9443       42.79509 857.1476       58.85083 810.0277       62.34281 132.0683 4.559315 128.3320 4.972422 3.736343       6.746283 
1 1 1 10  6  28 o 143.6030 4.031188 1012.578       56.60736 978.4109       66.34725 1104.000       108.5291 141.0586 4.812310 149.3744 7.446208 -8.315811      8.865909 
1 1 1 10  6  29 o 259.5710 5.199749 3313.014       132.1127 3330.438       186.2824 3295.381       187.3939 259.5507 7.339724 258.1501 7.423833 1.400574       10.43958 
1 1 1 10  6  30 o 95.77008 3.109776 450.2150       29.11313 423.2765       38.52698 486.0724       44.44963 92.73566 4.255702 99.34764 4.583277 -6.611977      6.254392 
1 1 1 10  6  31 o 131.3425 3.342525 847.0026       42.93715 813.2494       58.33546 886.9066       63.42832 128.5036 4.645434 134.1693 4.837658 -5.665726      6.706936 
1 1 1 10  6  32 o 55.62423 3.881868 152.7693       21.00278 145.2360       25.07058 170.5000       38.46238 54.10241 4.783372 58.26731 6.876091 -4.164898      8.376233 
1 1 1 10  6  33 o 95.35422 3.600733 447.4612       33.54718 434.6046       39.29799 482.0000       64.41124 93.86364 4.288601 98.31211 6.734091 -4.448471      7.983739 
1 1 1 10  6  34 f 62.80626 3.390959 194.4409       20.76913 197.0851       27.65851 191.0222       31.44924 63.06194 4.510583 61.94456 5.235803 1.117382       6.910788 
1 1 1 10  6  35 o 81.62978 3.211470 328.0719       25.61005 318.0547       34.67715 340.0911       37.98455 80.15407 4.437206 82.83501 4.704090 -2.680946      6.466627 
1 1 1 10  6  36 o 54.43427 3.656168 146.6160       19.36773 141.8018       25.89158 152.7319       29.18308 53.26967 5.024980 55.19927 5.473214 -1.929600      7.430107 
1 1 1 10  6  37 o 12.58805 5.648768 -6.413796      14.44883 -10.19654      18.49490 -0.4890876     23.14632 13.86817 6.291169 17.49337 7.514947 -3.625205      9.800675 
1 1 1 10  6  38 o 88.39268 3.621441 386.1709       31.26679 382.9000       49.31893 388.3690       40.42999 87.35282 5.800934 88.35273 4.691775 -0.9999084     7.460804 
1 1 1 10  6  39 o 76.26933 3.727987 288.0963       27.74680 321.9000       44.11135 265.9648       35.69218 80.02801 5.667888 72.91745 5.031605 7.110558       7.579050 
1 1 1 10  6  40 o 158.8113 3.768061 1247.557       58.57409 1262.604       82.20681 1232.041       83.48040 158.8672 5.293884 156.8313 5.446344 2.035828       7.595253 
1 1 1 10  6  41 o 22.05160 7.986710 21.53572       22.18116 45.59000       45.46193 14.02052       25.41100 31.02271 11.40326 21.01105 8.321155 10.01166       14.11651 
1 1 1 10  6  42 o 126.5278 4.999290 801.9639       61.79377 969.5000       99.82967 697.9000       78.67836 137.2415 7.459396 116.7972 6.912954 20.44431       10.17013 
1 1 1 10  6  43 o 72.11256 3.523023 258.2606       24.79227 276.3658       34.37907 238.6427       35.78639 74.16576 4.760847 68.65346 5.368013 5.512299       7.175042 
1 1 1 10  6  44 o 29.26673 7.313177 46.11528       20.88934 53.68884       23.15453 12.99000       48.42455 31.51420 7.595942 25.77371 10.96532 5.740496       13.33929 
1 1 1 10  6  45 o 35.52475 6.611730 67.01871       22.14485 63.04465       24.40527 85.54000       52.68681 34.08169 7.517859 37.82545 12.36464 -3.743763      14.47074 
1 1 1 10  6  46 o 49.89143 4.254934 125.7191       20.58091 137.4610       28.46064 112.8486       29.79693 51.55733 5.736627 46.16342 6.797559 5.393917       8.894700 
1 1 1 10  6  47 o 73.62329 3.630939 271.0809       26.08546 299.8984       36.61970 241.3952       37.16722 76.78648 4.897715 68.46329 5.594958 8.323181       7.435803 
1 1 1 10  6  48 o 43.31006 4.769948 96.06168       19.88683 85.97101       26.93049 108.1634       29.49222 39.87521 7.163038 44.96021 6.923368 -5.084999      9.962035 
1 1 1 10  6  49 o 38.90960 5.186983 78.56290       19.26338 85.71441       26.29325 70.27654       28.30268 39.80400 7.004215 35.30393 8.326329 4.500072       10.88057 
1 1 1 10  6  50 o 28.32834 6.600049 43.76897       17.95998 16.46975       24.30138 76.62634       26.66075 20.61296 8.145654 37.20445 7.578678 -16.59149      11.12601 
1 1 1 10  6  51 o 59.72519 5.750529 186.7032       33.20290 0.000000       0.000000 186.7032       33.20290 ?        ?        59.72519 5.750529 ?              ?        
1 1 1 10  6  52 o 19.05892 6.940976 17.22474       16.78423 33.03632       22.91533 -1.075392      24.65277 24.51021 8.160759 17.18516 7.562668 7.325052       11.12618 
1 1 1 10  6  53 o 63.06329 3.823669 201.1594       23.49187 217.4983       31.98401 182.0196       34.61704 64.79465 5.083663 58.51446 6.135057 6.280193       7.967594 
1 1 1 10  6  54 o 50.90689 4.690930 133.6696       23.11178 135.2930       29.10763 130.9000       38.01885 50.41335 6.017352 47.83537 8.427531 2.577984       10.35528 
1 1 1 10  6  55 o 21.08272 7.793373 21.79407       21.28510 4.100000       29.63816 40.64000       30.58765 19.32586 8.402794 26.70214 9.411384 -7.376287      12.61670 
1 1 1 10  6  56 o 66.77920 5.498969 233.8154       35.62597 231.5000       43.86910 238.3000       61.05332 65.15363 6.987871 62.61142 10.32140 2.542202       12.46442 
1 1 1 10  6  57 o 18.43086 7.907775 5.534456       25.56941 -50.87000      49.45770 26.11000       29.87122 18.64464 9.000628 23.28427 9.081783 -4.639629      12.78633 
1 1 1 10  6  58 o 26.36072 8.684850 40.43844       25.97237 16.50000       48.22267 50.22000       30.82531 24.37618 10.65632 28.82755 9.459679 -4.451374      14.24930 
1 1 1 10  6  59 o 20.49641 7.358287 21.71776       18.77799 20.47891       26.92726 22.89058       26.19985 21.45599 8.543643 21.86266 8.511627 -0.4066734     12.05992 
1 1 1 10  6  60 o 21.79440 8.266525 24.26340       24.26964 31.71522       27.31015 -3.724000      52.92665 23.88309 8.827888 22.54426 10.38249 1.338821       13.62819 
1 1 1 10  7  0  o 123.8989 4.394917 752.6476       53.21524 673.7000       71.22569 852.4000       80.06242 117.0969 6.236691 131.7544 6.225692 -14.65746      8.812240 
1 1 1 10  7  1  o 506.2368 13.44329 12615.05       665.5505 13050.00       964.7081 12220.00       919.3876 513.3619 19.23245 496.8335 18.93989 16.52844       26.99272 
1 1 1 10  7  2  o 438.2047 9.520558 9422.064       408.3624 9697.000       722.4722 9292.989       495.0244 443.0693 16.68861 434.7627 11.64285 8.306610       20.34860 
1 1 1 10  7  3  o 114.6183 4.248096 644.1756       47.57758 600.1000       66.78353 689.6000       67.79766 110.4980 6.199460 118.4997 5.863301 -8.001671      8.532971 
1 1 1 10  7  4  o 139.3785 4.667439 952.4217       63.58686 898.4000       88.90373 1009.000       90.98313 135.2301 6.737680 143.3493 6.501162 -8.119186      9.362769 
1 1 1 10  7  5  o 449.8707 8.452349 9926.025       372.1957 10104.79       533.4423 9756.448       519.5605 453.2518 12.03445 445.3849 11.92849 7.866852       16.94452 
1 1 1 10  7  6  o 397.6683 7.524538 7753.000       292.8916 7668.047       411.4776 7840.249       417.0003 394.9988 10.65224 399.4089 10.67584 -4.410095      15.08124 
1 1 1 10  7  7  o 250.2247 4.968051 3066.729       121.6809 3071.320       173.0787 3062.243       171.1040 250.2123 7.073997 249.8479 7.003366 0.3643951      9.954325 
1 1 1 10  7  8  o 380.4222 7.219302 7095.039       268.8235 7035.548       378.4775 7155.608       381.8933 378.3599 10.22886 381.5761 10.23404 -3.216187      14.46945 
1 1 1 10  7  9  o 117.3337 3.078877 674.4727       35.33017 653.0396       51.20198 693.9521       48.81244 115.3823 4.542458 118.9660 4.198391 -3.583702      6.185500 
1 1 1 10  7  10 o 110.7201 3.039359 600.6320       32.90817 595.1141       48.28440 605.4185       44.97048 110.1379 4.488225 111.1086 4.142236 -0.9706726     6.107560 
1 1 1 10  7  11 o 243.5445 4.877042 2905.776       116.2629 2795.501       161.3161 3024.968       167.7115 238.6602 6.912723 248.2705 6.908024 -9.610260      9.772744 
1 1 1 10  7  12 o 155.9119 4.134499 1191.450       63.04126 1078.000       109.4490 1247.774       77.11861 148.0277 7.578979 159.5076 4.945345 -11.47992      9.049716 
1 1 1 10  7  13 o 293.4267 6.618432 4222.966       190.0907 4501.000       346.7954 4103.552       227.2753 302.0044 11.75395 288.9884 8.042444 13.01599       14.24206 
1 1 1 10  7  14 o 297.4641 6.706594 4341.138       195.2733 4110.000       329.2957 4466.503       242.5151 288.4919 11.68546 301.4327 8.227135 -12.94077      14.29111 
1 1 1 10  7  15 o 175.4554 5.570972 1510.960       95.55495 1534.000       140.2517 1491.000       130.5405 176.5052 8.139827 174.0668 7.680577 2.438461       11.19143 
1 1 1 10  7  16 o 56.73357 4.050138 158.4991       22.34345 196.2000       54.06977 150.7355       24.53639 62.50143 9.105553 55.27041 4.576344 7.231014       10.19088 
1 1 1 10  7  17 o 240.5380 5.633990 2838.184       132.6496 2764.000       230.0165 2875.150       162.3701 236.5942 9.954514 241.8687 6.865303 -5.274475      12.09234 
1 1 1 10  7  18 o 380.5368 7.266380 7116.097       270.6581 7323.363       391.0050 6925.420       375.0310 385.0866 10.38279 374.5164 10.23995 10.57022       14.58283 
1 1 1 10  7  19 o 285.8693 5.605249 4009.952       156.8443 3968.000       308.5970 4024.563       182.1208 283.0713 11.15942 286.2617 6.499652 -3.190430      12.91426 
1 1 1 10  7  20 o 257.8712 5.138105 3262.272       129.6917 3423.000       264.4430 3211.370       148.8179 263.0079 10.29192 255.7481 5.944792 7.259796       11.88546 
1 1 1 10  7  21 o 243.5238 4.907218 2909.159       116.9723 2991.000       234.2716 2881.980       135.0052 245.8982 9.752598 242.2865 5.692658 3.611649       11.29245 
1 1 1 10  7  22 o 66.70844 3.196966 218.5180       20.81417 211.4000       34.10251 222.7437       26.27593 65.40702 5.374025 67.28860 4.007580 -1.881584      6.703794 
1 1 1 10  7  23 o 177.0567 4.479728 1538.596       77.57493 1704.000       138.3210 1462.699       93.69755 185.8541 7.619591 172.4997 5.556491 13.35440       9.430416 
1 1 1 10  7  24 o 76.79721 3.549454 289.6786       26.60953 312.6000       40.79838 272.7096       35.10354 79.62153 5.264417 74.39030 4.847303 5.231232       7.156147 
1 1 1 10  7  25 o 71.57347 3.346056 251.6059       23.37695 255.5000       38.03942 249.2428       29.63302 71.91898 5.444045 71.15582 4.274311 0.7631531      6.921514 
1 1 1 10  7  26 o 206.3550 4.358270 2089.347       88.03094 2303.000       181.7694 2023.880       100.6181 215.6840 8.627278 203.0062 5.063612 12.67783       10.00350 
1 1 1 10  7  27 o 232.5570 6.690982 2666.175       152.1507 2666.175       152.1507 0.000000       0.000000 232.5570 6.690982 ?        ?        ?              ?        
1 1 1 10  7  28 o 124.0112 3.304363 754.5305       40.07448 744.7642       53.40255 767.1194       60.63088 123.0823 4.439890 124.8479 4.971363 -1.765633      6.665363 
1 1 1 10  7  29 o 138.9868 4.968535 950.8677       67.48524 0.000000       0.000000 950.8677       67.48524 ?        ?        138.9868 4.968535 ?              ?        
1 1 1 10  7  30 o 68.33540 3.231196 229.5491       21.55179 226.5227       27.86331 234.0564       34.00317 67.77697 4.220902 68.78459 5.086340 -1.007622      6.609605 
1 1 1 10  7  31 o 183.4993 3.997985 1654.410       71.80949 1637.339       99.66068 1672.843       103.5594 182.1255 5.597094 184.0464 5.755594 -1.920868      8.028345 
1 1 1 10  7  32 o 116.9746 3.209400 672.1321       36.71225 678.0707       50.60637 665.5347       53.33928 117.2994 4.415493 116.1549 4.701124 1.144516       6.449585 
1 1 1 10  7  33 o 97.03161 3.156460 462.8133       29.93929 473.8435       40.67928 449.7774       44.22352 98.00942 4.250431 95.38903 4.751359 2.620392       6.375075 
1 1 1 10  7  34 f 126.6053 3.863779 789.7848       47.82577 808.7213       57.65320 748.0000       85.64116 127.9340 4.611500 122.1965 7.191874 5.737534       8.543359 
1 1 1 10  7  35 o 63.47860 3.375092 198.7737       20.89563 210.5304       28.24628 184.5630       31.05473 65.14822 4.456312 60.81092 5.269176 4.337292       6.900937 
1 1 1 10  7  36 o 65.39393 3.392626 211.0905       21.64174 214.0998       29.00177 207.3091       32.50983 65.64022 4.541868 64.43489 5.198608 1.205330       6.903194 
1 1 1 10  7  37 f 89.97653 3.172140 399.0599       27.89381 422.9268       38.60962 373.0018       40.34306 92.36452 4.282207 86.59198 4.778283 5.772545       6.416330 
1 1 1 10  7  38 o 73.47202 3.273223 266.5389       23.48076 286.2464       32.21022 244.1887       34.30203 75.89292 4.354245 69.88895 5.048261 6.003975       6.666663 
1 1 1 10  7  39 o 51.45522 4.353118 132.2214       21.71931 129.6000       31.87968 134.4921       29.67063 50.28527 6.638931 51.44500 6.005004 -1.159725      8.951842 
1 1 1 10  7  40 o 32.84039 6.028532 55.81704       18.66485 53.92000       26.25756 57.75465       26.53682 31.77898 8.338443 32.88485 8.257088 -1.105867      11.73495 
1 1 1 10  7  41 o 43.50755 5.400531 96.22932       22.50538 105.5000       29.70615 83.74000       34.47942 45.06606 6.958076 39.30564 9.135975 5.760422       11.48394 
1 1 1 10  7  42 o 95.58367 3.380580 452.3044       31.57888 461.3997       43.87957 442.5327       45.48209 96.04169 4.681734 93.92690 4.964657 2.114792       6.823962 
1 1 1 10  7  43 o 47.29240 8.169550 119.6234       36.45070 81.46000       49.09525 166.5000       54.41190 37.76451 11.89643 54.59263 10.56443 -16.82813      15.91013 
1 1 1 10  7  44 o 26.59917 7.611503 38.02067       20.82064 46.17383       23.03230 1.579000       48.69376 29.15726 7.882970 24.34888 10.67465 4.808382       13.26987 
1 1 1 10  7  45 o 39.26093 4.967675 79.01485       18.66395 77.80902       25.07331 80.51326       27.95004 38.16656 6.968226 38.51781 7.682883 -0.3512497     10.37222 
1 1 1 10  7  46 o 40.53498 4.917773 84.24020       19.11350 80.14489       25.90829 89.13087       28.31258 38.61094 7.117394 40.63394 7.390600 -2.022999      10.26052 
1 1 1 10  7  47 o 13.89918 6.178728 -4.396691      16.86307 -11.26762      22.40297 4.585256       25.61433 15.03179 6.859744 18.72521 7.971068 -3.693419      10.51637 
1 1 1 10  7  48 o 16.33744 6.685496 6.633763       16.99473 16.71693       22.96898 -5.563890      25.26280 20.49378 7.972134 16.88378 7.530445 3.610004       10.96643 
1 1 1 10  7  49 o 65.50546 3.715291 215.5428       23.72424 220.8415       32.83624 209.7560       34.31487 65.53970 5.160092 63.61652 5.566726 1.923176       7.590454 
1 1 1 10  7  50 o 44.95444 7.043339 109.4649       29.97548 0.000000       0.000000 109.4649       29.97548 ?        ?        44.95444 7.043339 ?              ?        
1 1 1 10  7  51 o 69.06985 3.624568 239.9155       24.41903 258.8615       33.80582 219.2451       35.31076 70.98228 4.895574 64.81313 5.621465 6.169151       7.454362 
1 1 1 10  7  52 o 39.69316 5.055968 82.13840       19.19860 59.87011       25.59787 110.7704       29.02593 32.32551 8.105781 45.18217 6.771501 -12.85667      10.56205 
1 1 1 10  7  53 o 24.82026 7.154206 34.31498       18.33041 74.98323       25.53183 -8.945493      26.33297 36.65620 7.371638 16.50734 7.495674 20.14885       10.51314 
1 1 1 10  7  54 o 51.07933 4.834470 135.0462       23.88367 127.0148       30.22424 148.4000       38.97282 48.47129 6.536841 51.29327 8.025262 -2.821980      10.35061 
1 1 1 10  7  55 f 53.09242 5.310555 147.5237       27.22809 152.1834       31.29263 133.0000       55.24567 53.39843 6.096057 44.39172 12.29349 9.006710       13.72195 
1 1 1 10  7  56 o 41.87823 5.215702 92.04644       20.91791 112.2051       29.48580 71.62148       29.67993 45.25156 6.872742 34.85226 8.721873 10.39930       11.10431 
1 1 1 10  7  57 o 66.20866 4.841177 226.9686       31.15730 212.3000       43.51519 242.4000       44.63219 61.92411 7.320562 66.56931 6.952001 -4.645195      10.09559 
1 1 1 10  7  58 o 25.14580 7.980095 36.24665       22.05451 44.30000       31.78555 28.77000       30.62632 27.33178 9.597131 23.81545 9.221797 3.516331       13.30964 
1 1 1 10  7  59 o 11.89781 5.766881 -29.67939      20.82494 -15.55000      45.38928 -33.44672      23.43736 20.26261 9.429698 12.54505 6.089334 7.717564       11.22494 
1 1 1 10  7  60 o 34.27151 6.686894 65.92077       21.62613 57.51962       28.76674 76.84000       32.79573 30.48985 9.011995 35.00288 9.381896 -4.513037      13.00907 
1 1 1 10  8  0  o 843.6547 22.33867 35372.91       1843.088 34840.00       2578.085 35930.00       2635.917 830.8444 31.75936 843.5800 31.98058 -12.73553      45.07121 
1 1 1 10  8  1  o 724.4625 15.58536 25872.36       1105.195 24960.00       1862.282 26368.39       1373.149 706.0432 26.99658 729.7590 19.24027 -23.71588      33.15122 
1 1 1 10  8  2  o 548.4940 11.83107 14785.66       635.1879 15220.00       1124.041 14581.89       769.8992 553.7100 20.77613 543.9482 14.47292 9.761719       25.32021 
1 1 1 10  8  3  o 442.9150 11.82913 9648.637       512.3778 9970.000       742.1815 9356.000       708.2333 449.0867 16.91417 435.0839 16.66098 14.00281       23.74189 
1 1 1 10  8  4  o 639.0736 13.78073 20105.89       862.0435 19550.00       1458.655 20404.25       1068.628 626.1113 23.84455 642.5991 17.00443 -16.48785      29.28675 
1 1 1 10  8  5  o 327.3584 7.265990 5253.505       232.8223 5327.000       408.4612 5218.136       283.3609 328.8329 12.71418 325.9993 8.888376 2.833557       15.51302 
1 1 1 10  8  6  o 424.6797 8.010529 8845.244       332.9882 8982.806       476.7335 8714.198       465.3073 427.3594 11.40682 420.9357 11.30345 6.423767       16.05876 
1 1 1 10  8  7  o 333.2515 6.395084 5442.840       208.6049 5443.829       295.5522 5441.858       294.4746 332.9240 9.077965 332.8678 9.046336 0.5618286E-01  12.81583 
1 1 1 10  8  8  o 127.7980 3.226055 800.1373       40.32319 721.6481       56.47021 881.7919       57.59771 121.2864 4.765927 134.1099 4.393643 -12.82351      6.482141 
1 1 1 10  8  9  f 140.7671 3.366960 970.2204       46.39224 899.6163       65.15385 1042.830       66.07288 135.4252 4.923315 145.8372 4.634472 -10.41199      6.761461 
1 1 1 10  8  10 o 482.8955 9.063543 11452.21       428.4078 11341.04       602.3582 11566.00       609.4240 479.5414 12.84440 484.2705 12.86798 -4.729156      18.18140 
1 1 1 10  8  11 o 276.3555 5.421379 3742.795       146.6507 3694.313       206.4858 3792.140       208.3171 274.2655 7.699148 277.8800 7.666135 -3.614502      10.86492 
1 1 1 10  8  12 o 174.4832 3.807695 1491.063       65.03121 1473.933       92.71828 1507.649       91.23569 173.3256 5.471933 175.3103 5.322976 -1.984665      7.633880 
1 1 1 10  8  13 o 192.2438 4.728688 1810.942       88.98138 1717.000       154.1433 1857.891       108.9713 186.7552 8.454219 194.5813 5.727669 -7.826111      10.21176 
1 1 1 10  8  14 f 162.2148 5.341854 1291.398       84.70248 1313.000       124.8953 1273.000       115.2589 163.3095 7.836054 160.8557 7.339689 2.453796       10.73661 
1 1 1 10  8  15 o 86.52923 3.580942 367.3714       30.26403 363.0000       65.26574 368.5688       34.15844 85.59215 7.878471 86.64051 4.038942 -1.048363      8.853437 
1 1 1 10  8  16 o 290.3374 6.586709 4138.299       187.1879 4127.000       327.3669 4143.788       228.1682 288.7804 11.60503 290.2013 8.040224 -1.420898      14.11814 
1 1 1 10  8  17 o 222.4041 5.302025 2426.009       115.4226 2575.000       212.3737 2363.551       137.5033 228.3946 9.520550 219.3212 6.411987 9.073334       11.47843 
1 1 1 10  8  18 o 122.4548 3.755353 735.4142       44.95926 0.000000       0.000000 735.4142       44.95926 ?        ?        122.4548 3.755353 ?              ?        
1 1 1 10  8  19 o 282.1676 6.432596 3910.821       177.6641 0.000000       0.000000 3910.821       177.6641 ?        ?        282.1676 6.432596 ?              ?        
1 1 1 10  8  20 o 51.64133 3.504269 131.2691       17.60845 131.3000       28.51773 131.2502       22.38536 51.39552 5.768126 51.54364 4.481432 -0.1481247     7.304418 
1 1 1 10  8  21 o 132.4594 3.330076 860.2047       43.14185 843.6000       80.00778 867.0120       51.22734 130.8823 6.263360 132.9364 3.941227 -2.054123      7.400198 
1 1 1 10  8  22 o 72.49042 3.516592 258.1222       24.87776 271.2000       38.12652 248.4258       32.82961 74.14305 5.288239 71.00302 4.751045 3.140030       7.109002 
1 1 1 10  8  23 f 46.34266 4.206427 106.1790       18.87332 89.37000       25.82633 125.4436       27.64856 42.15448 6.465077 50.21333 5.727623 -8.058846      8.637297 
1 1 1 10  8  24 f 113.4470 3.220880 631.1676       35.73008 647.4000       64.91915 624.1138       42.79484 114.6394 5.804276 112.7587 3.883147 1.880760       6.983441 
1 1 1 10  8  25 o 123.3610 3.306486 746.3655       39.88953 705.4000       70.76129 765.4474       48.29438 119.6214 6.063166 124.8726 3.956139 -5.251236      7.239683 
1 1 1 10  8  26 o 153.4695 4.994443 1157.969       74.92672 1131.000       101.6895 1190.000       110.8235 151.3605 6.881691 155.1800 7.316687 -3.819489      10.04448 
1 1 1 10  8  27 o 119.2620 3.251018 697.7455       37.91599 747.1000       71.99470 678.8025       44.60271 123.0739 5.994271 117.5719 3.881033 5.502068       7.140988 
1 1 1 10  8  28 o 183.4389 4.608366 1653.886       82.68003 1490.000       130.9403 1762.557       106.6247 173.4313 7.732737 189.1487 5.765745 -15.71741      9.645675 
1 1 1 10  8  29 o 191.3108 4.741044 1799.027       88.78093 1623.000       141.2746 1913.916       114.1337 180.8190 8.001855 196.9985 5.925688 -16.17950      9.957081 
1 1 1 10  8  30 o 137.6674 3.383755 929.9246       45.59699 938.2917       63.00842 920.7252       66.06812 138.0484 4.669672 136.6989 4.945807 1.349579       6.801974 
1 1 1 10  8  31 o 132.1302 3.350025 857.4865       43.29182 809.9462       57.95246 917.5140       65.12025 128.2045 4.625673 136.4103 4.884998 -8.205826      6.727560 
1 1 1 10  8  32 o 66.65108 3.236570 218.6203       21.05223 249.3395       28.65366 182.5870       31.03321 71.07285 4.136674 60.59765 5.284781 10.47520       6.711257 
1 1 1 10  8  33 o 108.6767 3.176254 580.6126       33.75139 582.1837       46.41703 578.8500       49.16474 108.6075 4.375233 108.2365 4.651455 0.3710403      6.385820 
1 1 1 10  8  34 o 80.65709 3.134025 320.1650       24.69585 328.1089       33.42601 310.6170       36.64609 81.47413 4.205628 79.15787 4.751504 2.316261       6.345400 
1 1 1 10  8  35 o 76.73029 4.378527 291.6647       32.74873 291.6647       32.74873 0.000000       0.000000 76.73029 4.378527 ?        ?        ?              ?        
1 1 1 10  8  36 o 29.21089 5.845196 43.98115       16.12896 35.94786       20.75950 56.21559       25.61900 26.37598 7.616799 32.68944 8.058656 -6.313454      11.08862 
1 1 1 10  8  37 o 17.21891 6.500361 11.05775       14.96562 17.16248       19.16270 1.512372       23.96186 20.25748 7.410432 18.14104 7.715576 2.116446       10.69788 
1 1 1 10  8  38 o 53.57905 3.711829 142.4509       19.34622 126.7673       25.36010 164.2841       29.92165 50.17754 5.240567 57.13910 5.414503 -6.961567      7.535276 
1 1 1 10  8  39 o 19.64213 6.662824 18.28324       15.27063 10.03591       19.43241 31.59945       24.69223 18.35999 7.274980 25.29842 8.472239 -6.938435      11.16710 
1 1 1 10  8  40 o 33.16382 5.752434 56.67853       17.99671 68.95591       21.78329 30.28000       31.94189 36.49267 6.327579 26.04250 9.560785 10.45017       11.46503 
1 1 1 10  8  41 o 86.11827 3.694847 367.8798       31.07323 352.1000       46.90562 380.2209       41.48105 83.44635 5.778323 87.12338 4.883719 -3.677032      7.565694 
1 1 1 10  8  42 o 29.22325 7.573770 45.65677       21.84001 33.85000       24.32536 94.74000       49.59756 25.70568 8.401483 40.74411 11.77537 -15.03843      14.46527 
1 1 1 10  8  43 o 67.18182 4.178743 225.8625       27.34313 220.4675       31.01238 244.7000       57.94999 66.13069 4.824179 67.38800 9.011109 -1.257309      10.22119 
1 1 1 10  8  44 o 47.37511 5.533359 115.3031       25.17666 137.9000       49.32736 107.3427       29.27731 49.12807 10.57137 45.13987 6.840277 3.988201       12.59139 
1 1 1 10  8  45 o 47.93923 5.618005 118.6739       25.86254 98.39000       50.71977 125.8010       30.06476 40.31727 11.97903 48.99758 6.423216 -8.680313      13.59245 
1 1 1 10  8  46 o 21.44039 7.085882 23.56330       17.28467 29.79006       22.76468 15.08698       26.56037 23.97985 8.135050 21.05791 8.451418 2.921940       11.73054 
1 1 1 10  8  47 o 64.31400 3.720998 207.3854       23.32453 195.2183       31.23888 222.7138       35.06308 61.68442 5.222893 65.75057 5.498390 -4.066151      7.583594 
1 1 1 10  8  48 o 34.90303 5.664173 64.02473       18.68834 58.77332       24.81137 70.91070       28.41158 32.48288 7.884139 35.53002 8.317224 -3.047142      11.46019 
1 1 1 10  8  49 o 115.5894 4.027270 672.7229       45.49578 740.4000       76.30581 635.3945       56.67040 118.5265 6.603223 111.2836 5.217105 7.242943       8.415505 
1 1 1 10  8  50 o 25.44000 6.914548 35.55648       17.66515 22.31467       23.20216 53.81772       27.24709 21.77383 8.120101 30.62151 8.689252 -8.847679      11.89282 
1 1 1 10  8  51 o 54.23724 4.025336 149.2468       21.21773 182.5136       29.11175 111.5514       30.98895 59.42409 5.052820 45.07898 7.270344 14.34511       8.853750 
1 1 1 10  8  52 o 48.02632 4.426033 118.2783       20.57266 119.1227       27.84335 117.2630       30.53021 47.22286 6.171206 46.35448 6.942054 0.8683815      9.288482 
1 1 1 10  8  53 o 22.41344 7.437658 27.04732       19.03797 3.439676       23.67000 70.30000       32.03897 17.62660 7.586179 34.31259 9.306136 -16.68599      12.00643 
1 1 1 10  8  54 o 52.38327 5.156885 143.0124       26.09903 114.7441       29.18699 255.8000       58.30027 45.94202 6.686501 66.22343 9.245670 -20.28141      11.41016 
1 1 1 10  8  55 o 70.87407 3.757303 254.0026       25.97259 240.6900       35.39866 269.5264       38.22560 67.86337 5.372807 71.73777 5.485379 -3.874405      7.678309 
1 1 1 10  8  56 o 17.13486 6.956280 9.274646       18.22391 4.023597       24.75135 15.49146       26.93146 17.96413 7.744719 20.65688 8.430120 -2.692749      11.44760 
1 1 1 10  8  57 o 26.09134 7.627145 38.87146       20.70169 54.29778       26.78362 15.98000       32.62682 30.28075 8.622528 21.82218 9.126250 8.458572       12.55534 
1 1 1 10  8  58 o 47.88604 5.713291 122.3281       26.25180 145.1000       37.24676 99.85000       37.00573 50.54982 7.776555 40.36046 9.522105 10.18936       12.29412 
1 1 1 10  8  59 o 13.55873 6.249539 -10.48896      19.23334 -21.27000      30.31822 -3.228206      24.88080 16.00311 7.530499 16.61508 7.437505 -0.6119728     10.58418 
1 1 1 10  8  60 o 23.05126 9.128456 26.99000       30.57864 0.000000       0.000000 26.99000       30.57864 ?        ?        23.05126 9.128456 ?              ?        
1 1 1 10  9  0  o 298.6752 5.793701 4370.561       169.3797 4477.783       244.1507 4271.073       235.1794 302.0380 8.266063 294.9905 8.152702 7.047455       11.61010 
1 1 1 10  9  1  o 521.2885 11.27108 13353.30       575.1088 14700.00       1068.171 12803.56       682.4708 544.2036 20.08719 509.7766 13.68962 34.42703       24.30845 
1 1 1 10  9  2  o 71.52815 4.182051 251.3934       29.15237 257.5000       45.06785 247.0000       38.22696 72.20136 6.444663 70.78850 5.561605 1.412865       8.512646 
1 1 1 10  9  3  f 343.6869 9.337914 5801.729       313.8459 6212.000       465.9419 5461.000       424.6205 354.9718 13.43433 332.8601 13.05799 22.11172       18.73479 
1 1 1 10  9  4  o 279.2595 7.777724 3827.420       212.3946 3500.000       284.2973 4241.000       319.5217 266.6689 10.91473 293.5532 11.14028 -26.88434      15.59606 
1 1 1 10  9  5  o 236.7945 5.488878 2747.083       127.2217 2622.000       216.3665 2813.180       157.2839 230.8965 9.594307 239.4706 6.716687 -8.574051      11.71173 
1 1 1 10  9  6  o 55.44606 5.056033 151.8461       27.13860 96.65000       43.03103 188.3000       34.97030 43.48911 10.27332 61.71311 5.859364 -18.22400      11.82681 
1 1 1 10  9  7  o 349.2777 6.684514 5980.817       228.5320 6199.480       332.2603 5784.495       314.8296 355.1603 9.566291 343.0862 9.383702 12.07413       13.40029 
1 1 1 10  9  8  o 187.8518 3.996400 1728.187       73.48363 1686.316       103.8470 1770.179       103.9962 185.4102 5.728958 189.9785 5.598619 -4.568237      8.010337 
1 1 1 10  9  9  o 331.1164 6.367635 5375.402       206.3788 5249.261       287.6353 5509.243       296.2841 326.7957 9.000641 334.7888 9.049608 -7.993011      12.76350 
1 1 1 10  9  10 o 236.0085 4.762554 2728.945       110.0206 2599.173       151.8708 2872.266       159.6020 230.1067 6.750074 241.9035 6.747059 -11.79677      9.543915 
1 1 1 10  9  11 o 271.8586 5.347611 3622.351       142.3013 3663.816       203.6780 3582.809       198.8962 273.1006 7.626770 270.0748 7.531135 3.025848       10.71847 
1 1 1 10  9  12 o 64.72032 3.899917 205.9151       24.59136 197.7991       31.95629 217.7000       38.50768 63.31395 5.202297 66.36112 5.992774 -3.047173      7.935820 
1 1 1 10  9  13 o 203.0888 4.928199 2021.519       97.96715 2028.000       175.6561 2018.593       118.0287 202.8948 8.866164 202.7876 5.952649 0.1072235      10.67909 
1 1 1 10  9  14 o 101.0702 3.598949 501.0000       35.54769 414.2000       69.65674 531.5660       41.33545 91.47942 7.855151 104.0823 4.065139 -12.60292      8.844702 
1 1 1 10  9  15 o 216.3508 5.184884 2295.197       109.8004 2292.000       196.0273 2296.659       132.5441 215.5470 9.313103 216.2347 6.268845 -0.6877289     11.22641 
1 1 1 10  9  16 o 123.2280 3.787791 744.6921       45.63370 812.3000       91.34097 722.2045       52.67913 128.3665 7.299640 121.3044 4.444168 7.062073       8.546073 
1 1 1 10  9  17 o 146.5929 4.015781 1053.880       57.56783 0.000000       0.000000 1053.880       57.56783 ?        ?        146.5929 4.015781 ?              ?        
1 1 1 10  9  18 o 185.4698 4.631075 1686.661       84.07390 0.000000       0.000000 1686.661       84.07390 ?        ?        185.4698 4.631075 ?              ?        
1 1 1 10  9  19 o 114.2920 3.691401 640.7844       41.24235 0.000000       0.000000 640.7844       41.24235 ?        ?        114.2920 3.691401 ?              ?        
1 1 1 10  9  20 f 86.89473 3.694355 370.7094       31.35062 0.000000       0.000000 370.7094       31.35062 ?        ?        86.89473 3.694355 ?              ?        
1 1 1 10  9  21 o 133.6526 4.779510 877.4512       62.42623 0.000000       0.000000 877.4512       62.42623 ?        ?        133.6526 4.779510 ?              ?        
1 1 1 10  9  22 o 126.6747 3.751398 787.2482       46.46335 944.5000       82.39150 713.9183       56.26329 138.5025 6.092316 120.5312 4.778385 17.97138       7.742692 
1 1 1 10  9  23 o 186.5730 4.038532 1706.856       73.75278 1763.000       145.0430 1687.276       85.65263 188.9589 7.859091 185.3754 4.724287 3.583496       9.169744 
1 1 1 10  9  24 o 191.6089 4.750475 1801.880       89.09613 1858.000       151.7693 1772.369       110.0562 193.9079 8.013443 189.7935 5.931448 4.114456       9.969821 
1 1 1 10  9  25 o 88.08192 3.589965 381.0002       30.88675 387.9000       46.47720 375.5428       41.33458 88.69202 5.378928 87.32436 4.854951 1.367668       7.245924 
1 1 1 10  9  26 o 91.87403 3.093066 414.1487       27.77592 439.7000       49.63000 402.4955       33.51656 94.43353 5.391634 90.51284 3.791455 3.920685       6.591270 
1 1 1 10  9  27 o 160.5502 3.675453 1264.318       57.76011 1343.000       113.9238 1237.095       67.01157 164.8313 7.077527 158.6877 4.318215 6.143661       8.290861 
1 1 1 10  9  28 o 55.18147 3.314759 149.8598       17.82152 140.2354       22.03602 168.0571       30.30049 53.27263 4.261442 58.20163 5.379587 -4.929001      6.862933 
1 1 1 10  9  29 o 138.0031 3.379110 934.2901       45.64542 946.8924       62.90145 920.2721       66.34051 138.7092 4.639390 136.6877 4.966674 2.021439       6.796454 
1 1 1 10  9  30 o 124.8640 3.237366 765.4933       39.53382 765.4042       54.07528 765.5957       57.94349 124.6818 4.437952 124.6418 4.758095 0.4006958E-01  6.506526 
1 1 1 10  9  31 o 84.73567 3.050102 352.7711       25.25677 326.0208       33.12482 389.9195       39.03549 81.31441 4.175772 88.89542 4.500797 -7.581017      6.139564 
1 1 1 10  9  32 o 73.99339 3.123513 269.2886       22.57171 247.4704       29.60923 299.5588       34.87592 70.76669 4.294785 77.83231 4.598320 -7.065613      6.292037 
1 1 1 10  9  33 o 115.1081 3.195048 651.5012       35.96410 665.8297       49.75027 635.8177       52.04942 116.1305 4.384534 113.4057 4.699123 2.724854       6.426966 
1 1 1 10  9  34 o 35.88980 4.783621 64.76377       16.38674 49.85644       20.67569 89.94633       26.87262 30.99329 6.983290 41.94740 6.775694 -10.95411      9.730178 
1 1 1 10  9  35 o 22.49779 6.544385 25.82882       15.27442 19.48875       19.10916 37.04738       25.41926 20.98407 7.434870 27.11800 8.562406 -6.133934      11.33984 
1 1 1 10  9  36 o 39.31762 5.962883 78.84115       22.22918 78.84115       22.22918 0.000000       0.000000 39.31762 5.962883 ?        ?        ?              ?        
1 1 1 10  9  37 o 14.86806 6.216790 2.430302       15.13558 7.631240       19.13054 -6.273356      24.74784 17.71220 7.150122 17.06071 7.539641 0.6514893      10.39088 
1 1 1 10  9  38 o 31.64771 5.671308 51.53582       16.92307 58.37077       22.12086 41.89039       26.27817 33.39084 6.992610 28.37213 8.665620 5.018709       11.13506 
1 1 1 10  9  39 o 31.61275 6.166970 51.91622       18.39723 71.90408       22.22179 8.369000       32.80018 37.30307 6.310769 21.97906 9.168078 15.32401       11.13012 
1 1 1 10  9  40 o 48.78521 4.036934 118.7917       19.10487 101.0014       24.72310 145.1623       30.10036 44.47635 5.818316 53.43257 5.850731 -8.956219      8.251294 
1 1 1 10  9  41 o 54.62178 4.491861 149.5753       23.80385 164.3640       26.85277 95.32000       51.43342 57.16738 4.844390 40.94872 12.03638 16.21867       12.97469 
1 1 1 10  9  42 o 47.93909 5.509673 117.2400       25.38417 113.1000       29.21334 130.0000       51.28675 46.68156 6.575311 47.85519 11.15564 -1.173626      12.94925 
1 1 1 10  9  43 o 39.02738 5.258358 78.10626       19.57686 71.84000       27.31642 84.72337       28.07071 36.44445 7.886826 39.82665 7.475150 -3.382198      10.86646 
1 1 1 10  9  44 o 28.10950 6.725492 42.41884       18.25656 26.67000       25.49351 58.99760       26.15660 23.63952 8.562238 32.73481 8.185480 -9.095285      11.84542 
1 1 1 10  9  45 o 54.38060 4.991245 150.8326       26.27194 179.2000       52.16320 141.1911       30.41056 56.35510 9.812705 52.09936 6.077285 4.255737       11.54221 
1 1 1 10  9  46 f 58.42357 4.996467 174.3988       28.29908 189.7000       54.04683 168.6193       33.21635 57.65894 9.934851 56.88778 6.058316 0.7711639      11.63634 
1 1 1 10  9  47 o 32.11626 6.095337 54.87991       18.46076 61.71070       24.54086 45.97612       28.01829 33.43372 7.663176 28.66325 8.981165 4.770466       11.80617 
1 1 1 10  9  48 o 41.09072 5.371618 87.77879       21.08826 96.94000       30.62556 79.51836       29.08095 41.99532 7.735291 37.74352 8.113096 4.251804       11.20969 
1 1 1 10  9  49 o 29.25519 6.339836 46.29594       17.62940 45.78640       23.18248 46.99471       27.14795 28.54487 7.985470 28.74735 8.813153 -0.2024860     11.89283 
1 1 1 10  9  50 o 38.86886 5.143628 78.66036       19.08952 105.6590       25.41697 43.72383       28.91298 44.71379 5.955262 27.76826 9.163988 16.94554       10.92904 
1 1 1 10  9  51 o 49.08757 4.252296 123.0042       20.23022 117.3331       26.91325 130.3710       30.67393 47.01193 5.984030 49.23921 6.524759 -2.227283      8.853310 
1 1 1 10  9  52 f 27.58898 7.076339 42.59917       19.20039 22.79039       23.77438 79.75000       32.55852 21.77907 8.199342 36.67993 9.109752 -14.90086      12.25630 
1 1 1 10  9  53 o 38.22079 6.391956 79.09367       23.06953 77.14282       25.64471 87.37000       52.82072 37.21648 7.300659 36.06257 12.38808 1.153904       14.37929 
1 1 1 10  9  54 o 20.49395 7.286924 21.27913       18.37058 33.13668       24.76840 6.780077       27.38862 24.51377 8.480396 19.19403 8.208617 5.319735       11.80248 
1 1 1 10  9  55 o 17.01101 6.939505 8.703321       18.24072 -4.007627      24.35381 24.94560       27.52970 16.52600 7.380751 22.76952 8.762709 -6.243523      11.45690 
1 1 1 10  9  56 o 16.08186 6.799042 4.534252       18.42049 3.210106       24.86688 6.144379       27.42101 17.82644 7.724139 19.01910 8.175072 -1.192657      11.24696 
1 1 1 10  9  57 f 28.72462 7.428873 47.09187       21.04215 36.15702       26.99599 64.02000       33.58904 25.29627 8.847372 32.17532 9.791232 -6.879042      13.19637 
1 1 1 10  9  58 o 57.96865 4.586727 173.8727       25.81373 161.4114       33.17335 193.0000       41.09925 54.54483 6.330868 58.78873 7.298925 -4.243900      9.661998 
1 1 1 10  9  59 o 23.53186 7.604839 31.64868       19.96170 0.4639806      28.80839 60.44936       27.68532 18.22604 8.090524 31.49519 8.695180 -13.26915      11.87698 
1 1 1 10  10 0  o 94.42580 3.016303 436.9568       27.84289 430.5371       41.20834 442.3492       37.76783 93.65070 4.508641 94.95546 4.072928 -1.304764      6.075902 
1 1 1 10  10 1  o 309.4736 5.985356 4693.237       181.3092 4777.496       260.3130 4613.849       252.6772 311.9200 8.534042 306.5396 8.429188 5.380310       11.99504 
1 1 1 10  10 2  o 176.6250 4.407758 1527.858       76.20370 1350.000       125.6617 1631.307       95.83624 165.7244 7.768203 182.3968 5.373783 -16.67239      9.445767 
1 1 1 10  10 3  o 548.2767 11.84460 14787.86       635.6624 15540.00       1141.531 14449.81       765.2935 558.6553 20.91245 541.1058 14.46203 17.54950       25.42599 
1 1 1 10  10 4  o 366.5192 8.064951 6590.804       289.3375 6690.000       508.3414 6543.269       351.9007 368.0660 14.13616 364.8412 9.862990 3.224792       17.23687 
1 1 1 10  10 5  o 309.8863 6.926782 4708.724       210.1068 5042.000       382.8604 4565.101       251.3343 319.7916 12.25382 304.8694 8.430409 14.92218       14.87373 
1 1 1 10  10 6  o 443.6710 9.671084 9671.194       419.9934 10030.00       747.1796 9505.459       507.8113 449.7028 17.00499 439.2778 11.82093 10.42496       20.71000 
1 1 1 10  10 7  o 240.3664 5.576573 2831.498       131.2041 2728.000       225.4532 2884.500       161.3391 235.3956 9.806276 242.4299 6.805768 -7.034317      11.93656 
1 1 1 10  10 8  o 221.9169 4.542099 2412.525       98.66274 2321.173       137.9471 2508.195       141.1691 217.4707 6.487710 226.0793 6.385692 -8.608551      9.103155 
1 1 1 10  10 9  o 73.80904 3.121983 267.2260       22.50424 275.2701       36.69617 262.3772       28.49062 74.78056 5.042812 73.08141 3.998032 1.699142       6.435387 
1 1 1 10  10 10 o 217.0583 4.454697 2308.242       94.64568 2252.553       133.2024 2365.027       134.5055 214.2145 6.359721 219.5114 6.266449 -5.296890      8.928294 
1 1 1 10  10 11 o 337.7068 7.522678 5599.424       248.6672 5316.389       293.7574 6315.000       467.0858 328.6865 9.139500 357.1626 13.38423 -28.47607      16.20704 
1 1 1 10  10 12 o 187.6947 4.655061 1726.458       85.52312 1700.000       152.6545 1738.561       103.2476 185.7838 8.416370 188.2119 5.610630 -2.428070      10.11506 
1 1 1 10  10 13 o 112.6165 3.120388 621.5739       34.36354 588.6805       50.70811 649.5087       46.73004 109.4897 4.742738 115.0599 4.156043 -5.570175      6.306049 
1 1 1 10  10 14 o 175.3492 3.838906 1506.406       65.88969 1496.018       94.43707 1516.261       91.97587 174.5572 5.534106 175.7534 5.352669 -1.196167      7.699182 
1 1 1 10  10 15 o 220.3619 5.179211 2381.429       111.7137 2339.000       191.0707 2403.466       137.7022 217.7619 8.983372 221.1729 6.367298 -3.410919      11.01106 
1 1 1 10  10 16 o 256.0619 5.901442 3218.003       147.9140 0.000000       0.000000 3218.003       147.9140 ?        ?        256.0619 5.901442 ?              ?        
1 1 1 10  10 17 o 132.2588 3.846408 857.9150       49.74215 0.000000       0.000000 857.9150       49.74215 ?        ?        132.2588 3.846408 ?              ?        
1 1 1 10  10 18 o 243.5950 5.680610 2912.828       135.4471 0.000000       0.000000 2912.828       135.4471 ?        ?        243.5950 5.680610 ?              ?        
1 1 1 10  10 19 o 202.2711 4.932662 2007.166       97.66108 0.000000       0.000000 2007.166       97.66108 ?        ?        202.2711 4.932662 ?              ?        
1 1 1 10  10 20 o 82.08669 4.353656 331.3525       34.85597 0.000000       0.000000 331.3525       34.85597 ?        ?        82.08669 4.353656 ?              ?        
1 1 1 10  10 21 o 144.6080 4.935114 1027.353       69.75233 0.000000       0.000000 1027.353       69.75233 ?        ?        144.6080 4.935114 ?              ?        
1 1 1 10  10 22 o 136.6573 3.423336 915.7961       45.75583 1030.000       91.09779 877.2645       52.91466 144.5827 6.453288 133.6965 4.048092 10.88625       7.617872 
1 1 1 10  10 23 o 32.08537 5.968678 52.21719       18.05553 46.35000       23.95801 59.93026       27.46940 30.12699 7.993435 34.17470 8.296290 -4.047716      11.52057 
1 1 1 10  10 24 o 171.5972 4.408805 1445.752       73.99076 1473.000       124.6403 1430.925       91.94429 172.7093 7.389948 170.5597 5.514592 2.149628       9.220740 
1 1 1 10  10 25 o 275.2827 5.446981 3724.583       146.7712 3802.000       293.6806 3698.809       169.4503 276.1801 10.88499 274.1288 6.315118 2.051361       12.58426 
1 1 1 10  10 26 o 189.9315 4.701812 1771.591       87.41147 1821.000       149.6883 1746.024       107.6781 191.7799 7.991556 188.2898 5.849540 3.490097       9.903640 
1 1 1 10  10 27 o 68.46713 3.166322 230.3143       21.16245 200.6000       33.46119 250.1230       27.32037 63.63168 5.423976 71.28559 3.930636 -7.653915      6.698463 
1 1 1 10  10 28 o 60.87234 3.196524 182.2106       18.97927 175.2307       23.65526 194.8222       31.79727 59.60133 4.079359 62.71116 5.227612 -3.109829      6.630920 
1 1 1 10  10 29 o 193.8360 4.139586 1845.964       78.54121 1905.264       111.3350 1787.218       110.8149 196.4780 5.795439 190.2431 5.958251 6.234909       8.311912 
1 1 1 10  10 30 o 43.62381 3.798676 94.18948       16.05883 98.14571       19.81222 86.61172       27.41971 44.42104 4.624182 41.24532 7.044507 3.175716       8.426632 
1 1 1 10  10 31 o 134.3192 3.364720 886.5897       44.20295 926.8094       61.74088 844.2948       63.31361 137.0920 4.607571 130.7617 4.955607 6.330307       6.766665 
1 1 1 10  10 32 f 91.55064 3.060538 412.0342       27.38763 409.7872       36.41659 414.9600       41.55374 91.14102 4.092497 91.61078 4.649214 -0.4697571     6.193846 
1 1 1 10  10 33 o 91.55357 3.114020 412.3384       27.86572 422.6106       37.43456 399.5732       41.73072 92.50723 4.144719 89.81497 4.763838 2.692261       6.314495 
1 1 1 10  10 34 o 106.6117 3.203974 559.4353       33.39697 574.4159       45.55627 542.0307       49.10388 107.7815 4.326942 104.5675 4.810366 3.214096       6.470089 
1 1 1 10  10 35 o 16.61250 6.414496 9.196906       14.78706 2.317855       18.43719 21.59992       24.75678 16.25970 6.834136 22.82847 8.410896 -6.568769      10.83737 
1 1 1 10  10 36 o 78.89496 3.213176 307.0347       24.76169 290.7195       32.62734 329.1957       38.02596 76.50937 4.374970 81.31320 4.798974 -4.803833      6.493883 
1 1 1 10  10 37 o 45.53878 5.436717 104.8452       23.75581 104.8452       23.75581 0.000000       0.000000 45.53878 5.436717 ?        ?        ?              ?        
1 1 1 10  10 38 f 83.13091 3.648386 342.1203       29.61492 362.3150       36.00764 299.9000       52.06380 85.35960 4.323673 76.63824 7.018227 8.721359       8.243158 
1 1 1 10  10 39 o 95.97919 3.282664 455.1416       30.79428 464.2865       41.45911 443.8875       45.99218 96.58039 4.397092 94.19699 5.006141 2.383400       6.663023 
1 1 1 10  10 40 o 20.41934 7.395967 18.29028       19.02158 21.90565       20.67594 -1.628000      48.53053 21.82074 7.733436 24.39882 10.67768 -2.578079      13.18404 
1 1 1 10  10 41 o 47.96088 4.952208 116.2380       22.91442 135.2917       25.63556 40.51000       51.10709 51.72145 5.131258 30.65256 11.90071 21.06889       12.95981 
1 1 1 10  10 42 o 30.17263 6.015528 47.71490       17.14250 41.29889       21.84751 57.99268       27.65152 27.75013 7.748127 32.59973 8.558420 -4.849602      11.54470 
1 1 1 10  10 43 o 14.49846 6.239927 -0.1031628     16.01464 5.567616       20.84256 -8.276425      25.02231 17.57695 7.318204 16.57890 7.437100 0.9980526      10.43391 
1 1 1 10  10 44 o 79.10133 3.844344 312.9965       29.67631 319.6000       45.91270 308.2579       38.89274 78.73079 6.003007 77.84591 5.132828 0.8848801      7.898229 
1 1 1 10  10 45 o 68.63062 4.019958 236.5743       26.88685 254.1000       41.31463 223.6989       35.41173 70.00711 6.089673 65.98209 5.533893 4.025017       8.228492 
1 1 1 10  10 46 o 50.20765 4.654504 128.3942       22.61399 157.3000       34.42589 106.4540       29.99253 54.61943 6.571023 44.53115 7.120633 10.08827       9.689260 
1 1 1 10  10 47 o 20.38404 8.274735 13.21242       25.78443 0.000000       0.000000 13.21242       25.78443 ?        ?        20.38404 8.274735 ?              ?        
1 1 1 10  10 48 o 49.26789 5.542276 126.3021       26.26443 136.7000       48.16443 121.9017       31.33298 47.85688 10.56499 47.63040 6.923217 0.2264786      12.63131 
1 1 1 10  10 49 o 22.21633 7.209125 26.24934       17.92742 25.86632       23.73815 26.75780       27.35021 22.76443 8.259809 23.49597 8.805214 -0.7315388     12.07295 
1 1 1 10  10 50 o 31.41786 6.169282 53.24789       18.29479 68.13602       24.34230 33.92241       27.73363 35.04742 7.331747 25.16303 8.952710 9.884398       11.57176 
1 1 1 10  10 51 o 40.69801 5.348587 86.92641       20.79160 92.38495       26.31103 77.85000       33.92786 41.19413 6.759474 36.06371 9.485977 5.130421       11.64793 
1 1 1 10  10 52 o 17.85677 7.406815 8.337424       21.23648 5.503730       23.36181 21.82000       50.95848 17.90210 7.616313 25.78694 11.11490 -7.884842      13.47402 
1 1 1 10  10 53 o 23.85364 7.299892 31.64532       18.63600 48.11226       25.57279 12.99650       27.21430 28.73583 8.497865 20.28522 8.396750 8.450617       11.94651 
1 1 1 10  10 54 o 17.13978 6.974763 9.066130       18.37192 11.41537       25.00166 6.308640       27.08709 19.43188 8.046275 19.01335 8.148027 0.4185276      11.45133 
1 1 1 10  10 55 o 22.75123 7.439183 28.36855       19.07108 47.96440       26.40709 7.006049       27.57177 28.58167 8.678308 19.24544 8.233440 9.336233       11.96255 
1 1 1 10  10 56 o 24.56381 7.435335 34.07790       19.40510 27.29619       26.87036 41.47013       28.05379 23.12755 8.714739 26.69157 9.030971 -3.564014      12.55010 
1 1 1 10  10 57 o 39.89321 6.032133 85.93461       22.81987 59.62815       29.22903 127.0000       36.51920 31.40523 9.028435 46.91321 8.254051 -15.50798      12.23282 
1 1 1 10  10 58 o 23.78046 7.802607 32.10689       20.97197 31.27989       27.85044 33.19000       31.87249 23.95093 8.903287 24.71458 9.449463 -0.7636509     12.98310 
1 1 1 10  10 59 f 13.91104 6.320498 -6.829381      18.75760 -40.70176      27.46623 22.77694       25.67843 13.29021 6.482639 21.60510 8.422192 -8.314891      10.62817 
1 1 1 10  11 0  o 426.9273 8.073463 8944.049       337.3805 9429.564       496.1474 8526.446       460.1407 437.5968 11.59346 416.1618 11.30641 21.43500       16.19393 
1 1 1 10  11 1  o 271.3371 5.336409 3607.457       141.7309 3761.258       206.9699 3471.649       194.4874 276.7861 7.646682 265.9268 7.479192 10.85928       10.69626 
1 1 1 10  11 2  f 391.6716 7.429600 7525.192       284.8353 7702.431       410.1974 7360.158       395.8228 395.6476 10.60156 386.7773 10.46485 8.870270       14.89651 
1 1 1 10  11 3  o 219.9721 6.388436 2374.275       137.4068 2384.000       196.6606 2365.000       192.0658 220.1259 9.147186 219.2679 8.967808 0.8580170      12.80986 
1 1 1 10  11 4  o 339.5363 7.544061 5656.357       250.7250 5077.000       404.9639 6016.480       319.2774 320.6473 12.92927 349.8232 9.332574 -29.17590      15.94562 
1 1 1 10  11 5  o 207.1753 4.960188 2102.997       100.5871 2071.000       176.0195 2118.512       122.5725 205.1620 8.785455 207.7953 6.032688 -2.633347      10.65728 
1 1 1 10  11 6  o 339.7611 9.280947 5676.951       308.3651 5502.000       428.4326 5865.000       444.1818 333.6734 13.14332 344.5076 13.19652 -10.83417      18.62512 
1 1 1 10  11 7  o 344.9379 7.644700 5840.095       258.1116 5749.000       444.7714 5886.351       316.9403 340.9702 13.35225 345.9244 9.368934 -4.954163      16.31133 
1 1 1 10  11 8  o 413.8205 9.067731 8417.185       367.2965 8345.000       633.3998 8453.754       450.8359 409.9591 15.81417 414.1220 11.13213 -4.162842      19.33940 
1 1 1 10  11 9  o 191.2604 4.693887 1792.494       87.87469 1768.000       155.3110 1804.028       106.5737 189.5111 8.393440 191.7362 5.684859 -2.225113      10.13743 
1 1 1 10  11 10 o 180.6172 4.583631 1599.613       80.96998 1514.050       97.01840 1796.000       146.9827 175.6293 5.650887 191.0520 7.876636 -15.42271      9.694014 
1 1 1 10  11 11 o 100.5018 3.546263 495.3484       34.83130 410.5000       68.17873 525.3153       40.51796 91.08808 7.719450 103.4725 4.008099 -12.38445      8.697974 
1 1 1 10  11 12 f 161.0683 3.633575 1270.836       57.28627 1266.969       82.85986 1274.377       79.28815 160.6565 5.276298 161.1475 5.032817 -0.4910583     7.291677 
1 1 1 10  11 13 o 181.5273 3.925565 1614.547       69.75099 1604.774       100.0321 1623.796       97.30987 180.7791 5.660049 181.8680 5.472538 -1.088882      7.873044 
1 1 1 10  11 14 o 44.31683 3.959528 97.00152       16.99511 75.33000       35.13110 103.6228       19.41856 38.34647 9.427103 45.77097 4.387995 -7.424503      10.39831 
1 1 1 10  11 15 o 238.5707 4.801332 2790.793       112.1205 2582.000       212.0946 2871.771       132.0852 228.6551 9.497054 241.9276 5.577795 -13.27251      11.01389 
1 1 1 10  11 16 o 83.16286 2.978583 339.1761       24.20713 343.0000       49.22486 337.9563       27.80105 83.36368 6.074237 82.98524 3.429978 0.3784332      6.975751 
1 1 1 10  11 17 o 60.53820 3.847271 180.3339       22.67962 0.000000       0.000000 180.3339       22.67962 ?        ?        60.53820 3.847271 ?              ?        
1 1 1 10  11 18 o 132.5906 3.865225 862.3979       50.11065 0.000000       0.000000 862.3979       50.11065 ?        ?        132.5906 3.865225 ?              ?        
1 1 1 10  11 19 f 66.29982 4.502140 216.5701       29.04382 0.000000       0.000000 216.5701       29.04382 ?        ?        66.29982 4.502140 ?              ?        
1 1 1 10  11 20 o 97.09077 3.714208 462.7199       35.23293 0.000000       0.000000 462.7199       35.23293 ?        ?        97.09077 3.714208 ?              ?        
1 1 1 10  11 21 o 59.20122 4.235547 172.7555       24.38189 0.000000       0.000000 172.7555       24.38189 ?        ?        59.20122 4.235547 ?              ?        
1 1 1 10  11 22 o 77.62138 4.850017 296.8561       36.66530 0.000000       0.000000 296.8561       36.66530 ?        ?        77.62138 4.850017 ?              ?        
1 1 1 10  11 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  11 24 o 150.9463 3.532746 1117.092       52.19646 1163.000       101.7987 1100.718       60.79659 153.5045 6.791903 149.7284 4.152296 3.776093       7.960622 
1 1 1 10  11 25 o 270.5320 5.370312 3597.483       142.2081 3473.000       274.1607 3643.304       166.3342 263.9430 10.63356 272.0415 6.246548 -8.098541      12.33256 
1 1 1 10  11 26 o 183.7798 4.008973 1657.506       72.11690 1606.000       136.4810 1677.457       84.94395 180.0679 7.761590 184.7291 4.701581 -4.661240      9.074533 
1 1 1 10  11 27 o 153.3158 3.574171 1153.175       53.63750 1191.000       103.5287 1139.297       62.71014 155.1695 6.833047 152.2618 4.211704 2.907669       8.026767 
1 1 1 10  11 28 o 69.21361 3.533325 235.6888       23.85843 188.4000       32.78931 288.8954       34.78049 61.60571 5.495200 76.51183 4.666283 -14.90612      7.209121 
1 1 1 10  11 29 o 273.7037 5.442730 3693.456       145.8155 3925.110       213.0775 3489.418       199.9742 280.9961 7.754371 264.9488 7.719144 16.04730       10.94146 
1 1 1 10  11 30 o 111.9833 3.121698 615.9238       34.18427 591.0137       45.36335 648.6575       52.00138 109.5284 4.239289 114.6795 4.642174 -5.151100      6.286601 
1 1 1 10  11 31 o 95.28339 3.066685 446.1898       28.56450 449.0529       38.22116 442.5674       42.99078 95.43317 4.101220 94.63932 4.655135 0.7938538      6.204054 
1 1 1 10  11 32 o 94.03935 3.076967 434.8600       28.28483 447.3754       38.01607 419.3410       42.33281 95.21396 4.088591 92.05056 4.714039 3.163399       6.240091 
1 1 1 10  11 33 o 82.64658 3.073817 336.1589       24.82285 323.3138       32.34536 354.5634       38.71730 80.87406 4.099352 84.57420 4.695360 -3.700142      6.233065 
1 1 1 10  11 34 o 55.44066 3.520510 151.9677       19.00602 122.5549       23.76618 204.1513       31.65621 49.49366 4.973054 63.97307 5.097530 -14.47941      7.121522 
1 1 1 10  11 35 o 110.0580 3.200756 596.8440       34.44443 608.7507       47.09159 583.1451       50.51159 110.8366 4.349083 108.3393 4.774929 2.497299       6.458674 
1 1 1 10  11 36 o 67.60682 3.322554 225.7944       21.91979 215.5616       28.44584 240.7529       34.39243 65.81126 4.441851 69.38879 5.099308 -3.577538      6.762616 
1 1 1 10  11 37 o 11.24975 5.290170 -15.51856      14.91775 -7.227406      17.50544 -37.51000      28.50967 13.88952 6.226385 14.62483 7.001037 -0.7353106     9.369226 
1 1 1 10  11 38 o 67.63676 3.779933 226.9987       24.92539 223.8442       29.76696 234.4000       45.59533 66.95322 4.569490 67.64695 6.986381 -0.6937332     8.348040 
1 1 1 10  11 39 o 44.64956 5.094496 100.8065       21.86716 93.42243       24.04613 136.1000       52.57066 42.72578 5.907656 49.50466 11.12124 -6.778881      12.59295 
1 1 1 10  11 40 o 45.46563 4.452397 103.8636       19.56076 118.0735       25.34375 82.92632       30.76348 48.20241 5.467995 39.35377 8.250394 8.848644       9.897877 
1 1 1 10  11 41 o 77.35131 3.425158 296.7428       25.86879 297.6753       34.66979 295.5714       38.85486 77.06058 4.617525 76.53791 5.217557 0.5226669      6.967384 
1 1 1 10  11 42 o 21.11412 6.979443 22.29311       16.76903 16.82524       21.65179 30.48911       26.50855 20.50032 7.800396 24.91181 8.762986 -4.411491      11.73184 
1 1 1 10  11 43 o 26.58287 6.666761 37.86779       17.31403 33.53369       22.40644 44.29107       27.27733 25.19446 8.048980 28.51532 8.850383 -3.320858      11.96308 
1 1 1 10  11 44 o 27.99374 6.608101 42.14464       17.81415 48.17814       23.36673 33.77111       27.52756 29.58836 7.914105 25.61195 8.935668 3.976408       11.93647 
1 1 1 10  11 45 o 15.60612 6.565597 3.352526       17.04189 -1.807394      21.78612 11.48770       27.35532 16.33693 7.151745 20.51652 8.448165 -4.179586      11.06883 
1 1 1 10  11 46 o 55.51255 4.509608 156.5208       24.29309 151.3000       35.52155 161.1082       33.29744 53.26593 6.980807 55.42765 6.245934 -2.161720      9.367143 
1 1 1 10  11 47 o 70.41512 4.014631 249.7740       27.55589 234.4000       41.37957 262.0243       36.93749 66.76173 6.410865 71.36846 5.325956 -4.606735      8.334566 
1 1 1 10  11 48 o 20.16293 7.353201 19.14070       18.84639 4.017000       26.61174 34.35814       26.69409 18.78067 8.062765 25.35363 8.802158 -6.572958      11.93676 
1 1 1 10  11 49 f 45.89859 5.806160 110.7708       25.50253 119.0000       46.69181 107.2721       30.44488 44.06681 10.88874 44.32879 7.268192 -0.2619743     13.09165 
1 1 1 10  11 50 o 26.90146 8.703106 41.09740       26.13933 29.59000       44.30886 47.24000       32.37265 26.17254 10.76190 28.55293 9.700870 -2.380390      14.48880 
1 1 1 10  11 51 o 31.34270 7.423140 55.34030       22.42024 58.87448       24.78843 39.45000       52.56184 32.08128 7.937730 28.29881 11.68738 3.782476       14.12807 
1 1 1 10  11 52 o 19.55771 7.225484 18.05300       18.29150 42.61591       24.38728 -13.53613      27.65618 27.24240 8.353274 16.31757 7.511344 10.92483       11.23377 
1 1 1 10  11 53 o 23.16051 7.319900 29.60855       18.57316 48.07733       25.53709 8.868196       27.06203 28.70853 8.492482 19.47193 8.237035 9.236601       11.83093 
1 1 1 10  11 54 o 62.20709 3.948574 196.5742       23.91879 205.2888       32.72930 186.5847       35.04150 62.60849 5.393203 59.10173 6.146961 3.506763       8.177516 
1 1 1 10  11 55 o 17.37644 7.027848 9.933097       18.52086 9.067692       25.19764 10.95007       27.31523 18.99932 7.987761 19.86592 8.332124 -0.8666039     11.54247 
1 1 1 10  11 56 o 17.56415 7.054316 10.84996       18.51890 5.007943       25.85197 17.00753       26.54096 18.38323 7.920133 20.80869 8.414075 -2.425465      11.55531 
1 1 1 10  11 57 o 23.71810 7.809647 31.68556       21.00259 13.40959       27.38706 57.78000       32.72498 20.19664 8.397227 30.50594 9.725319 -10.30930      12.84894 
1 1 1 10  11 58 o 21.20254 7.778717 23.33257       21.13849 45.74348       28.83997 -2.684000      31.07350 27.45881 9.155452 18.40772 8.270164 9.051088       12.33766 
1 1 1 10  11 59 o 23.22269 7.916178 30.71830       21.55944 26.26762       29.68010 35.69000       31.36927 22.83526 9.008859 24.95960 9.413665 -2.124340      13.02984 
1 1 1 10  12 0  o 316.6462 6.122753 4915.799       189.7699 4997.077       272.4355 4839.192       264.4911 318.8426 8.737571 313.7796 8.619692 5.062927       12.27372 
1 1 1 10  12 1  o 312.3724 6.040728 4783.824       184.7005 4856.641       264.7892 4714.820       257.7644 314.3426 8.613912 309.7314 8.510269 4.611267       12.10885 
1 1 1 10  12 2  o 181.0914 3.918570 1606.178       69.45950 1537.334       97.41026 1677.390       99.07197 177.0093 5.629308 184.9162 5.479602 -7.906906      7.855898 
1 1 1 10  12 3  o 141.0318 4.845275 975.7137       66.78767 898.3000       94.18847 1054.000       94.71783 135.1220 7.146819 146.4444 6.624890 -11.32248      9.745060 
1 1 1 10  12 4  o 141.1667 3.895056 976.7949       53.76960 919.0000       94.41451 1004.538       65.41414 136.6760 7.081475 143.1114 4.676002 -6.435333      8.486005 
1 1 1 10  12 5  o 241.9988 5.608869 2870.881       132.8601 2950.000       236.4902 2834.394       160.6001 244.6909 9.894315 240.2640 6.835849 4.426819       12.02607 
1 1 1 10  12 6  f 282.8015 7.869844 3930.320       217.6365 4242.000       326.4634 3681.000       291.9837 293.1587 11.39866 273.1487 10.94292 20.01001       15.80117 
1 1 1 10  12 7  o 85.41755 3.482286 357.9228       29.05403 351.3000       58.04773 360.1365       33.56033 84.30634 7.100192 85.64886 4.014287 -1.342529      8.156423 
1 1 1 10  12 8  o 311.1038 8.596093 4761.394       261.5147 4640.000       365.3090 4889.000       374.5391 306.3049 12.20875 314.4329 12.19233 -8.127991      17.25418 
1 1 1 10  12 9  o 142.4176 3.953727 994.4170       55.06255 923.8000       99.28877 1025.781       66.17003 136.9488 7.434770 144.5974 4.681308 -7.648682      8.785810 
1 1 1 10  12 10 o 298.1039 6.719105 4362.475       196.0583 4678.000       359.7239 4229.141       233.8426 307.4552 11.97602 293.1904 8.156237 14.26480       14.48963 
1 1 1 10  12 11 o 100.5034 3.076722 495.1515       30.23175 462.0430       46.10778 520.1189       40.03980 96.95913 4.873873 102.9540 3.980718 -5.994919      6.292913 
1 1 1 10  12 12 o 198.5180 4.181541 1931.310       81.25359 1874.078       114.6003 1989.164       115.2221 195.3261 6.001155 201.2570 5.855183 -5.930954      8.384333 
1 1 1 10  12 13 o 133.0699 3.719554 868.2604       48.40057 916.9000       88.23397 847.3250       57.88718 136.4782 6.624691 131.3963 4.507509 5.081879       8.012751 
1 1 1 10  12 14 o 161.1266 3.618997 1271.993       57.07708 1213.000       110.6456 1293.384       66.62622 156.9270 7.222648 162.3915 4.195073 -5.464478      8.352561 
1 1 1 10  12 15 o 148.7625 3.459002 1084.237       50.36753 1043.000       98.48335 1098.844       58.61298 145.5105 6.934481 149.6810 4.004158 -4.170517      8.007516 
1 1 1 10  12 16 o 118.2017 3.173056 684.9353       36.67877 615.3000       69.98712 711.3035       43.06690 111.7249 6.426851 120.4246 3.657852 -8.699608      7.394883 
1 1 1 10  12 17 o 104.1258 3.449136 531.8406       35.10550 507.8000       60.72233 543.9099       43.02442 101.4871 6.141420 105.2461 4.184750 -3.759003      7.431633 
1 1 1 10  12 18 o 74.31022 3.523431 271.2117       25.55535 266.5000       45.57269 273.3729       30.86475 73.35862 6.411048 74.54707 4.247437 -1.188454      7.690400 
1 1 1 10  12 19 o 71.40409 3.803498 250.6310       26.48761 0.000000       0.000000 250.6310       26.48761 ?        ?        71.40409 3.803498 ?              ?        
1 1 1 10  12 20 o 295.6537 6.709873 4300.168       194.1797 0.000000       0.000000 4300.168       194.1797 ?        ?        295.6537 6.709873 ?              ?        
1 1 1 10  12 21 o 181.3318 5.653209 1616.991       100.2177 0.000000       0.000000 1616.991       100.2177 ?        ?        181.3318 5.653209 ?              ?        
1 1 1 10  12 22 o 113.4003 4.694311 632.2267       51.99386 0.000000       0.000000 632.2267       51.99386 ?        ?        113.4003 4.694311 ?              ?        
1 1 1 10  12 23 o 202.8129 4.954556 2020.043       98.35729 0.000000       0.000000 2020.043       98.35729 ?        ?        202.8129 4.954556 ?              ?        
1 1 1 10  12 24 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  12 25 o 25.06528 7.631996 31.16781       20.40399 0.000000       0.000000 31.16781       20.40399 ?        ?        25.06528 7.631996 ?              ?        
1 1 1 10  12 26 o 103.4122 3.551423 525.2097       35.89511 546.5000       57.32743 511.4799       46.03653 105.2244 5.585971 101.9255 4.626444 3.298897       7.253072 
1 1 1 10  12 27 o 20.04427 6.342820 19.51283       13.94183 14.27000       19.22626 25.32698       20.24675 19.67292 7.380466 23.16990 7.669494 -3.496984      10.64389 
1 1 1 10  12 28 o 153.0403 4.125009 1151.758       61.73631 1068.000       97.67139 1207.486       79.66988 146.7570 6.817904 156.4821 5.208694 -9.725143      8.579879 
1 1 1 10  12 29 o 130.2129 3.304305 832.8285       42.08133 889.2859       58.97773 774.2780       60.06102 134.3540 4.490989 125.2737 4.907584 9.080338       6.652320 
1 1 1 10  12 30 o 151.4036 3.552699 1126.407       52.65030 1186.222       74.20137 1065.755       74.71886 155.0166 4.896350 146.8435 5.206635 8.173157       7.147258 
1 1 1 10  12 31 o 169.2872 3.794402 1410.055       62.87437 1464.066       89.06236 1356.394       88.77393 171.9876 5.296742 165.4679 5.488667 6.519684       7.627643 
1 1 1 10  12 32 f 56.30177 3.371098 156.4361       18.49295 154.4834       23.28281 159.7735       30.43813 55.80360 4.295559 56.50195 5.576233 -0.6983490     7.038907 
1 1 1 10  12 33 o 117.5873 3.231519 680.5826       37.15877 658.8638       49.57409 708.4321       56.13651 115.4141 4.396272 119.5610 4.806574 -4.146965      6.513859 
1 1 1 10  12 34 o 57.86331 3.429266 165.4875       19.33564 169.8619       24.69222 158.5530       31.08931 58.45422 4.346679 56.13684 5.738571 2.317387       7.198946 
1 1 1 10  12 35 f 89.80175 3.171015 397.6008       27.82961 401.1402       37.01040 392.9958       42.21527 89.94904 4.215322 88.83704 4.873445 1.111992       6.443555 
1 1 1 10  12 36 o 43.77116 4.596960 96.08625       19.40184 104.8360       23.20158 75.74000       35.38025 45.56810 5.300582 37.50293 9.598790 8.065170       10.96508 
1 1 1 10  12 37 o 91.70544 3.204061 415.1747       28.71669 400.6568       38.07589 434.3264       43.73214 89.76026 4.346630 93.30247 4.804704 -3.542206      6.479072 
1 1 1 10  12 38 o 38.32019 5.397837 74.83658       19.68638 72.73203       21.40586 86.38000       50.13264 37.59140 6.020640 39.41507 11.95522 -1.823669      13.38564 
1 1 1 10  12 39 o 49.10100 4.365560 120.8043       20.76299 100.2882       24.21324 177.8000       40.35764 44.32107 5.714138 58.62040 7.183444 -14.29933      9.178956 
1 1 1 10  12 40 o 29.26536 6.150303 44.86780       17.05739 39.83150       21.51918 53.38124       27.97835 27.37904 7.705980 31.42863 8.765526 -4.049593      11.67119 
1 1 1 10  12 41 o 40.53189 4.777740 83.36714       18.59131 83.22827       23.83683 83.58281       29.70551 39.99409 6.296988 39.43426 7.970325 0.5598373      10.15766 
1 1 1 10  12 42 o 35.26137 5.339782 64.15629       17.85394 73.88316       23.26036 50.20745       27.85474 37.43449 6.588521 30.24505 8.848897 7.189440       11.03230 
1 1 1 10  12 43 o 33.44266 5.561730 58.32468       17.56692 47.80884       22.59613 74.39070       27.92971 29.55083 7.726268 36.84960 7.975161 -7.298775      11.10398 
1 1 1 10  12 44 o 11.76882 5.517391 -14.86218      16.01386 -42.27410      20.89380 24.16805       24.93149 11.02764 5.434427 22.80510 8.433738 -11.77746      10.03299 
1 1 1 10  12 45 o 48.54255 4.780539 120.3449       22.42019 80.94000       31.47946 160.9098       31.93942 37.93143 8.668460 55.59184 5.962680 -17.66041      10.52120 
1 1 1 10  12 46 o 41.42232 4.882098 88.20132       19.41484 94.67891       25.67204 79.54665       29.67420 42.24432 6.409456 37.72724 8.264683 4.517075       10.45878 
1 1 1 10  12 47 o 20.01903 7.474769 17.96526       19.67265 10.79000       28.05233 24.90896       27.59595 20.40495 8.492432 23.21127 8.812303 -2.806318      12.23839 
1 1 1 10  12 48 o 30.00084 7.088299 49.66514       20.48242 50.38000       30.04501 49.04443       27.99641 29.56182 9.305614 29.25144 8.946427 0.3103809      12.90864 
1 1 1 10  12 49 o 22.51719 7.871877 26.28903       21.36969 21.60000       29.66086 31.35000       30.81476 22.67646 8.987115 24.89826 9.343040 -2.221792      12.96382 
1 1 1 10  12 50 o 26.93232 8.827323 41.44937       26.84522 31.64000       31.41532 68.00000       51.68426 24.86495 9.411039 32.74473 12.13686 -7.879780      15.35809 
1 1 1 10  12 51 o 50.81089 5.378685 135.2810       26.34526 175.6000       47.80206 117.6914       31.57323 54.77156 9.245076 46.18466 7.220445 8.586906       11.73057 
1 1 1 10  12 52 o 30.07157 7.942463 51.91619       23.72208 49.29000       44.35775 52.96813       28.07396 29.16986 11.14896 29.97028 8.914042 -0.8004189     14.27443 
1 1 1 10  12 53 o 34.67758 6.140550 65.10919       20.08038 78.84283       27.82572 50.18474       29.00700 37.17263 7.891716 29.08133 9.141958 8.091293       12.07703 
1 1 1 10  12 54 o 23.63910 7.517702 31.10807       19.56406 39.00042       27.50462 23.02564       27.83385 26.11767 8.940352 22.37159 8.754743 3.746078       12.51301 
1 1 1 10  12 55 o 37.18429 5.863068 74.30956       20.63367 69.00504       28.78059 79.91944       29.59737 34.14949 8.612758 36.99369 8.369953 -2.844208      12.00982 
1 1 1 10  12 56 f 19.23697 7.306248 16.85632       18.97393 16.15470       27.44425 17.49875       26.26121 20.81187 8.503682 20.84980 8.391239 -0.3792572E-01 11.94678 
1 1 1 10  12 57 o 24.71831 7.911498 35.07821       21.63991 34.20929       28.77164 36.21000       32.83656 24.74143 9.075456 25.46357 9.625180 -0.7221432     13.22906 
1 1 1 10  12 58 o 39.26149 6.295907 84.83279       23.37783 79.83022       31.54250 90.93000       34.82287 36.06906 8.971387 38.20928 9.381028 -2.140224      12.98035 
1 1 1 10  13 0  o 309.7087 6.936281 4706.777       210.2744 4443.000       351.5443 4853.726       262.3877 299.8884 12.00030 314.1792 8.540095 -14.29077      14.72890 
1 1 1 10  13 1  o 479.3352 9.030785 11295.33       423.7123 11918.25       624.2424 10763.16       576.9834 491.0342 12.99922 466.7420 12.64096 24.29221       18.13212 
1 1 1 10  13 2  o 314.3095 6.082148 4844.915       187.1202 4780.637       263.3112 4910.496       265.9647 311.7736 8.636592 315.9881 8.606997 -4.214478      12.19308 
1 1 1 10  13 3  o 321.1596 8.814116 5074.067       276.8185 5061.000       392.4977 5087.000       390.4711 319.9007 12.55915 320.7485 12.46078 -0.8478088     17.69190 
1 1 1 10  13 4  o 211.2302 5.043426 2186.926       104.2769 2037.000       175.1149 2269.296       129.7989 203.3624 8.818193 215.0039 6.174027 -11.64149      10.76472 
1 1 1 10  13 5  o 134.7107 3.356466 888.7430       44.25788 827.1923       63.26811 947.7243       61.93342 129.8135 4.988473 138.9946 4.558361 -9.181061      6.757478 
1 1 1 10  13 6  o 172.4282 4.381546 1457.792       73.89072 1358.000       127.2085 1508.607       90.77467 166.0715 7.847753 175.3359 5.295238 -9.264435      9.467142 
1 1 1 10  13 7  o 79.58416 4.617293 311.4505       35.81388 237.1000       54.96629 366.3000       47.21073 68.95536 8.311112 86.24136 5.623334 -17.28600      10.03476 
1 1 1 10  13 8  o 143.3170 3.982902 1007.116       55.81900 984.4000       103.8048 1016.356       66.20554 141.3498 7.529847 143.9207 4.705970 -2.570908      8.879457 
1 1 1 10  13 9  o 90.75148 3.520195 404.0389       31.21061 359.8000       63.84266 417.9320       35.77729 85.21170 7.738613 92.27147 3.970556 -7.059769      8.697783 
1 1 1 10  13 10 o 119.7219 3.670096 702.8658       42.95799 723.1000       85.08718 695.9439       49.76626 121.1016 7.210726 119.0886 4.276262 2.013016       8.383376 
1 1 1 10  13 11 o 89.33963 3.444542 391.5735       30.06543 428.0000       65.07864 381.6893       33.89995 93.05096 7.201152 88.17002 3.937941 4.880936       8.207556 
1 1 1 10  13 12 o 36.61141 4.274632 66.58971       15.03075 76.05000       39.04358 64.94370       16.28595 38.56940 10.19075 36.08916 4.723582 2.480240       11.23226 
1 1 1 10  13 13 o 237.3338 4.790325 2762.189       111.2835 2639.000       215.6445 2806.903       129.9194 231.1106 9.553215 239.1663 5.549679 -8.055740      11.04821 
1 1 1 10  13 14 o 128.4584 3.258704 808.9150       40.94141 736.4000       79.61781 834.9829       47.73641 122.2341 6.679829 130.4800 3.741522 -8.245895      7.656311 
1 1 1 10  13 15 o 202.8753 4.246314 2017.863       84.32327 1903.000       162.1833 2060.416       98.71474 196.3314 8.459223 204.9420 4.920902 -8.610672      9.786406 
1 1 1 10  13 16 o 256.0355 5.875834 3219.595       147.2570 3180.000       252.5663 3239.987       181.2524 253.3639 10.20502 256.5148 7.226002 -3.150925      12.50430 
1 1 1 10  13 17 o 105.6086 3.482486 547.1478       35.95013 539.1000       63.45207 550.9525       43.62814 104.5548 6.228279 105.9173 4.216599 -1.362473      7.521380 
1 1 1 10  13 18 o 65.15392 3.288855 208.5350       20.90666 216.9000       42.46472 205.8587       24.01937 66.08059 6.655783 64.69181 3.810073 1.388779       7.669165 
1 1 1 10  13 19 o 168.7676 3.781651 1396.285       62.47075 1411.000       123.1701 1391.189       72.48584 169.0890 7.460266 168.3527 4.402504 0.7362823      8.662425 
1 1 1 10  13 20 o 208.4055 5.029966 2132.178       102.6078 2091.000       173.5428 2154.311       127.2284 205.5945 8.642883 209.2244 6.219390 -3.629883      10.64802 
1 1 1 10  13 21 f 238.4156 6.897137 2801.334       160.7878 0.000000       0.000000 2801.334       160.7878 ?        ?        238.4156 6.897137 ?              ?        
1 1 1 10  13 22 o 150.9516 4.139440 1118.706       61.10480 0.000000       0.000000 1118.706       61.10480 ?        ?        150.9516 4.139440 ?              ?        
1 1 1 10  13 23 o 152.1697 4.162595 1137.028       61.94275 0.000000       0.000000 1137.028       61.94275 ?        ?        152.1697 4.162595 ?              ?        
1 1 1 10  13 24 o 298.9083 6.797090 4405.929       198.8691 0.000000       0.000000 4405.929       198.8691 ?        ?        298.9083 6.797090 ?              ?        
1 1 1 10  13 25 o 90.34946 3.686904 401.1550       32.53722 0.000000       0.000000 401.1550       32.53722 ?        ?        90.34946 3.686904 ?              ?        
1 1 1 10  13 26 o 106.2114 4.544452 555.4122       47.13612 0.000000       0.000000 555.4122       47.13612 ?        ?        106.2114 4.544452 ?              ?        
1 1 1 10  13 27 o 82.22784 3.846353 332.7646       30.87231 0.000000       0.000000 332.7646       30.87231 ?        ?        82.22784 3.846353 ?              ?        
1 1 1 10  13 28 o 99.99237 3.526780 491.5633       34.46442 574.5000       57.79851 445.8050       42.93174 107.7751 5.497037 95.05957 4.627894 12.71558       7.185737 
1 1 1 10  13 29 o 89.33739 3.031066 392.1566       26.46705 392.2390       34.91514 392.0453       40.58063 89.21532 4.008471 89.08411 4.670160 0.1312103      6.154530 
1 1 1 10  13 30 o 85.89275 3.739307 363.5408       31.36259 408.1000       52.67064 339.0633       39.03761 90.55262 5.975797 82.75206 4.840594 7.800560       7.690351 
1 1 1 10  13 31 o 78.44910 3.072628 302.8138       23.54851 291.4112       30.17421 320.5778       37.66209 76.80733 4.027608 80.41666 4.806606 -3.609337      6.270972 
1 1 1 10  13 32 o 44.38926 3.879923 97.82991       16.68876 100.3174       20.81883 93.35765       27.91529 44.78299 4.825457 42.69790 6.915618 2.085091       8.432722 
1 1 1 10  13 33 o 146.8385 3.529983 1062.156       50.73632 1092.393       70.51142 1029.693       73.06043 148.4062 4.860574 143.9439 5.193920 4.462250       7.113508 
1 1 1 10  13 34 o 48.12649 3.827882 115.0507       17.88374 115.2549       22.63525 114.7114       29.17416 47.94827 4.891309 47.42598 6.451705 0.5222893      8.096258 
1 1 1 10  13 35 o 37.32926 5.029337 70.49868       17.90955 59.74046       20.72687 102.2000       35.57969 33.95316 6.472792 43.99243 8.570848 -10.03928      10.74041 
1 1 1 10  13 36 o 61.41751 3.396443 186.6815       20.33894 176.0613       26.09776 203.1099       32.45895 59.38272 4.523951 63.59309 5.261617 -4.210361      6.939074 
1 1 1 10  13 37 o 95.08875 3.697547 447.8347       34.34951 447.6179       39.55380 448.5000       69.27812 94.87859 4.270002 93.37866 7.646436 1.499931       8.757905 
1 1 1 10  13 38 o 47.05892 4.022666 110.5829       18.35191 77.12240       22.57632 175.7616       31.50938 38.66398 6.172880 58.95700 5.524418 -20.29302      8.283938 
1 1 1 10  13 39 o 77.70409 3.351561 299.0074       25.43167 279.0026       32.83199 329.0151       40.21125 74.69826 4.511383 80.90571 5.103651 -6.207451      6.811741 
1 1 1 10  13 40 o 48.03414 4.435618 116.0283       20.61957 104.2276       24.34270 146.0000       38.79449 45.13196 5.632613 52.61487 7.765930 -7.482914      9.593539 
1 1 1 10  13 41 o 58.67199 3.741245 171.7686       21.37395 177.8482       28.00661 163.2886       33.07678 59.31899 4.866223 56.31728 6.097477 3.001713       7.801240 
1 1 1 10  13 42 f 21.91202 6.983917 24.79930       16.87681 26.78854       21.67160 21.73386       26.90254 23.12368 7.935292 22.72979 8.683753 0.3938904      11.76335 
1 1 1 10  13 43 o 18.93724 6.910378 16.07370       16.64846 10.59173       21.89401 23.58912       25.63504 18.90336 7.642633 22.81247 8.529648 -3.909113      11.45272 
1 1 1 10  13 44 o 42.75140 5.144465 94.11540       21.09556 114.4000       31.06522 76.75645       28.73777 46.24405 7.088636 37.23269 8.115044 9.011368       10.77510 
1 1 1 10  13 45 o 33.32857 5.726350 58.50030       18.00804 59.51243       23.72905 57.12571       27.65346 32.87284 7.535889 31.78035 8.656854 1.092491       11.47740 
1 1 1 10  13 46 f 55.44647 3.925409 154.9525       21.16646 145.6083       27.85448 167.7216       32.56145 53.04049 5.442249 56.66351 5.959882 -3.623016      8.070827 
1 1 1 10  13 47 o 69.56745 3.658356 242.9964       24.82385 211.0565       31.79016 292.9015       39.73729 64.05116 5.113021 75.28732 5.428705 -11.23617      7.457468 
1 1 1 10  13 48 o 35.67777 6.152901 68.09223       20.71146 52.49226       25.63169 97.44000       35.15627 30.31989 8.364828 41.09260 8.990935 -10.77270      12.28036 
1 1 1 10  13 49 o 98.81245 3.466839 489.6474       33.47944 450.2394       44.03251 543.6472       51.54397 93.70430 4.816899 102.6606 5.145821 -8.956314      7.048545 
1 1 1 10  13 50 o 66.09496 4.358230 223.0013       28.03847 177.2000       42.27590 258.9688       37.46358 56.34491 7.880582 70.42555 5.477713 -14.08064      9.597339 
1 1 1 10  13 51 o 18.32882 7.348334 11.92159       20.05727 15.18000       30.72645 9.502268       26.47624 21.45424 8.905088 19.47125 8.187149 1.982992       12.09669 
1 1 1 10  13 52 o 39.87130 6.040775 85.38787       22.83780 115.5000       37.52147 67.66756       28.78358 44.35996 8.950397 33.90442 8.647254 10.45554       12.44526 
1 1 1 10  13 53 o 16.59494 7.524162 -7.914705      26.41236 0.000000       0.000000 -7.914705      26.41236 ?        ?        16.59494 7.524162 ?              ?        
1 1 1 10  13 54 o 32.36504 7.648903 59.84399       23.84538 69.61000       42.57393 55.37997       28.78383 32.86662 11.12524 30.43359 9.019611 2.433023       14.32216 
1 1 1 10  13 55 o 27.45066 8.130909 43.86819       23.39654 55.20000       43.27544 39.18797       27.81155 29.82467 11.09605 26.06426 8.987675 3.760406       14.27938 
1 1 1 10  13 56 o 27.40483 7.355852 42.99574       20.14293 36.37584       28.75424 49.37461       28.22591 25.32957 9.103996 28.65303 9.019506 -3.323458      12.81539 
1 1 1 10  13 57 o 28.69293 7.852743 48.30263       22.69265 47.53496       31.79195 49.10000       32.40123 27.87374 9.609431 28.23302 9.702332 -0.3592720     13.65564 
1 1 1 10  13 58 o 30.47447 7.381671 53.94707       21.78350 63.71901       32.88948 46.31035       29.07502 31.53332 9.706538 27.42931 9.193545 4.104008       13.36930 
1 1 1 10  14 0  o 285.4013 7.933630 4005.589       221.4179 4030.000       315.8476 3982.000       310.4855 285.5666 11.32206 283.8888 11.19539 1.677856       15.92250 
1 1 1 10  14 1  o 204.3338 6.046464 2050.008       120.8008 2065.000       173.8102 2036.000       168.0136 204.7305 8.693130 203.3208 8.460706 1.409714       12.13071 
1 1 1 10  14 2  o 214.5843 6.294442 2261.328       132.0662 2233.000       187.8730 2289.000       185.6859 212.8473 9.038152 215.5404 8.819877 -2.693100      12.62848 
1 1 1 10  14 3  o 235.1685 6.795659 2717.213       156.2648 2452.000       209.3342 3051.000       234.8426 222.9448 9.615211 248.7247 9.664489 -25.77992      13.63285 
1 1 1 10  14 4  o 177.7214 3.905341 1547.411       67.93678 1368.009       91.63413 1766.381       101.2361 166.9157 5.616591 189.7083 5.457508 -22.79260      7.831378 
1 1 1 10  14 5  o 67.40757 4.078956 223.4501       26.78716 179.0614       35.53144 281.9000       40.77263 60.09937 6.125533 75.61094 5.547683 -15.51157      8.264317 
1 1 1 10  14 6  o 139.2630 3.915859 950.9790       53.32584 939.5000       98.22783 955.7758       63.49745 138.0958 7.292731 139.5597 4.654770 -1.463898      8.651636 
1 1 1 10  14 7  o 137.5357 3.903013 927.5773       52.49067 907.0000       97.50735 935.9738       62.28593 135.6605 7.370759 138.1042 4.614100 -2.443771      8.695862 
1 1 1 10  14 8  o 273.2145 6.244269 3664.323       166.9904 3733.000       295.8119 3632.201       202.3090 274.6737 11.02492 271.7100 7.614333 2.963715       13.39877 
1 1 1 10  14 9  o 121.0364 3.695165 718.4294       43.72673 756.0000       86.47931 705.5247       50.68303 123.8282 7.165484 119.8983 4.325692 3.929863       8.369932 
1 1 1 10  14 10 o 143.4529 4.707761 1010.079       66.01479 0.000000       0.000000 1010.079       66.01479 ?        ?        143.4529 4.707761 ?              ?        
1 1 1 10  14 11 o 234.2375 5.475516 2692.195       125.5416 0.000000       0.000000 2692.195       125.5416 ?        ?        234.2375 5.475516 ?              ?        
1 1 1 10  14 12 f 124.3372 3.672141 758.2040       44.64270 0.000000       0.000000 758.2040       44.64270 ?        ?        124.3372 3.672141 ?              ?        
1 1 1 10  14 13 o 66.48021 3.196893 217.0125       20.74206 204.1000       48.25023 219.9397       22.97313 63.91436 7.879092 66.90502 3.520352 -2.990665      8.629773 
1 1 1 10  14 14 o 269.4485 5.327191 3563.292       140.5013 3549.000       279.5193 3568.124       162.5254 267.5634 10.69436 269.5032 6.160997 -1.939850      12.34209 
1 1 1 10  14 15 o 195.2695 4.742511 1870.527       90.64606 1761.000       152.4785 1930.392       112.7288 188.8385 8.269252 198.1680 5.817892 -9.329514      10.11081 
1 1 1 10  14 16 o 162.8395 4.200936 1301.112       66.90355 1163.000       110.8019 1380.359       83.93092 153.5226 7.395164 167.6251 5.121371 -14.10257      8.995381 
1 1 1 10  14 17 o 95.77810 3.110263 449.9246       29.12013 386.8000       57.37105 471.8315       33.79744 88.43002 6.677405 98.05517 3.527079 -9.625145      7.551690 
1 1 1 10  14 18 o 211.0054 4.402578 2183.998       90.92994 2156.000       178.4565 2193.816       105.6773 208.7706 8.752276 211.3961 5.107147 -2.625458      10.13338 
1 1 1 10  14 19 o 333.8400 7.454135 5491.782       243.5801 5362.000       413.5086 5560.744       301.4264 327.4074 12.92839 335.2142 9.195240 -7.806824      15.86492 
1 1 1 10  14 20 o 240.9417 4.886477 2850.075       115.2429 2930.000       231.7553 2823.820       132.8294 242.9772 9.764350 239.7015 5.661313 3.275726       11.28685 
1 1 1 10  14 21 o 85.10084 3.685013 355.7831       30.62305 0.000000       0.000000 355.7831       30.62305 ?        ?        85.10084 3.685013 ?              ?        
1 1 1 10  14 22 o 71.76297 3.203398 252.9312       22.44510 269.4000       45.31881 247.5786       25.83643 73.70390 6.343422 70.95297 3.733245 2.750923       7.360443 
1 1 1 10  14 23 f 47.70026 4.004377 112.4303       18.52414 201.7000       40.21078 88.38165       20.87066 63.64437 6.548026 42.09077 5.174511 21.55360       8.345790 
1 1 1 10  14 24 o 93.06584 3.634796 425.5486       33.04765 0.000000       0.000000 425.5486       33.04765 ?        ?        93.06584 3.634796 ?              ?        
1 1 1 10  14 25 o 191.6693 4.813962 1807.463       90.24387 0.000000       0.000000 1807.463       90.24387 ?        ?        191.6693 4.813962 ?              ?        
1 1 1 10  14 26 o 221.8913 5.340256 2425.313       115.9868 0.000000       0.000000 2425.313       115.9868 ?        ?        221.8913 5.340256 ?              ?        
1 1 1 10  14 27 o 152.8189 4.224716 1149.161       63.13408 0.000000       0.000000 1149.161       63.13408 ?        ?        152.8189 4.224716 ?              ?        
1 1 1 10  14 28 o 121.8851 3.879802 731.0699       46.22882 0.000000       0.000000 731.0699       46.22882 ?        ?        121.8851 3.879802 ?              ?        
1 1 1 10  14 29 f 61.24323 4.124501 185.4617       24.58078 171.9000       38.47788 194.8122       31.95010 58.41314 6.860287 62.57879 5.264792 -4.165649      8.647635 
1 1 1 10  14 30 o 74.12962 3.113020 270.4454       22.53783 264.9944       29.06015 278.6729       35.70201 73.23267 4.070039 74.94889 4.893308 -1.716225      6.364722 
1 1 1 10  14 31 o 53.81491 3.535605 143.1397       18.52083 159.0340       23.56890 117.4796       29.94670 56.61207 4.285102 48.12165 6.525742 8.490417       7.806882 
1 1 1 10  14 32 o 30.27181 5.426603 46.83828       15.48884 41.90163       19.27076 55.84739       26.03297 28.36271 6.987613 32.61118 8.172668 -4.248474      10.75264 
1 1 1 10  14 33 o 33.60843 5.145685 57.35606       16.38973 44.86414       20.36417 80.32774       27.61523 29.27823 7.165117 39.28992 7.453221 -10.01169      10.33873 
1 1 1 10  14 34 o 149.4702 4.080447 1105.735       59.64336 1100.644       71.86891 1117.000       106.9020 148.7390 4.943264 148.3696 7.384169 0.3693695      8.886045 
1 1 1 10  14 35 o 51.09704 3.712068 129.6581       18.43937 115.7521       23.14105 153.8435       30.51814 47.97305 5.001469 55.16557 5.735384 -7.192524      7.609818 
1 1 1 10  14 36 o 44.43194 4.822254 99.39020       20.63667 102.0464       22.85942 87.69000       47.97708 44.90029 5.303513 39.79196 11.60526 5.108326       12.75968 
1 1 1 10  14 37 o 78.72363 3.317538 306.5073       25.50661 321.4389       33.69250 286.4613       39.03868 80.34020 4.300107 75.48248 5.317790 4.857719       6.838846 
1 1 1 10  14 38 o 91.59782 3.262053 414.9559       29.20037 414.7740       38.76610 415.1946       44.39502 91.20732 4.354844 90.98661 5.004100 0.2207108      6.633678 
1 1 1 10  14 39 f 78.83019 3.361296 307.8950       25.87662 315.7101       34.39596 297.7039       39.27824 79.46801 4.439548 76.83825 5.253993 2.629761       6.878520 
1 1 1 10  14 40 o 20.59990 7.087561 20.41805       17.29189 5.699231       22.58937 41.24949       26.87368 18.24568 7.609398 27.85626 8.805047 -9.610573      11.63752 
1 1 1 10  14 41 o 57.99341 4.223788 168.9610       23.81219 159.3088       28.89275 189.4000       42.04427 55.87138 5.348372 59.95306 7.315900 -4.081673      9.062422 
1 1 1 10  14 42 o 27.70846 6.869425 41.46103       18.53785 29.15538       24.26192 58.72244       28.73500 24.04632 8.388948 32.38406 8.825843 -8.337742      12.17661 
1 1 1 10  14 43 o 20.26141 8.244945 12.26566       25.67223 0.000000       0.000000 12.26566       25.67223 ?        ?        20.26141 8.244945 ?              ?        
1 1 1 10  14 44 o 12.91916 5.894355 -8.972898      16.52937 2.729186       21.88336 -24.51906      25.22284 17.18391 7.342880 14.41065 6.807799 2.773258       10.01319 
1 1 1 10  14 45 o 18.74725 7.000669 15.27125       17.25719 -5.868911      22.79494 43.65629       26.41369 15.96158 7.133816 27.96831 8.713715 -12.00673      11.26145 
1 1 1 10  14 46 o 26.27826 7.057761 37.92048       18.53654 23.16009       24.39946 58.06792       28.50633 22.25850 8.321746 31.83078 8.836732 -9.572287      12.13834 
1 1 1 10  14 47 o 31.87317 6.772931 55.47301       20.47817 48.68894       26.50507 65.52000       32.25534 29.19513 8.655886 33.39397 9.446780 -4.198845      12.81273 
1 1 1 10  14 48 o 17.15236 7.070787 7.510025       19.19082 1.214952       26.76169 14.17400       27.53467 18.25770 7.960835 20.77471 8.506489 -2.517008      11.65055 
1 1 1 10  14 49 o 28.94234 8.316095 48.33086       24.80478 42.63872       28.08773 68.50000       52.87159 27.24969 9.033803 32.80238 12.25276 -5.552694      15.22300 
1 1 1 10  14 50 o 45.37770 4.901288 106.9452       21.42500 101.5769       29.24022 113.1686       31.48300 42.83485 7.231094 45.15443 7.377633 -2.319588      10.33045 
1 1 1 10  14 51 o 31.69821 6.758469 55.54866       20.32876 44.07052       28.28771 67.80763       29.23405 27.54528 9.063148 33.94579 8.744646 -6.400511      12.59403 
1 1 1 10  14 52 o 48.87732 4.742327 123.6498       22.40367 110.0567       31.71749 137.1850       31.64976 44.30244 7.586885 50.30150 6.586161 -5.999058      10.04681 
1 1 1 10  14 53 o 33.31929 7.468001 62.93893       23.75205 70.58000       42.06809 59.36319       28.77787 33.11095 11.05793 31.53613 8.923651 1.574812       14.20948 
1 1 1 10  14 54 o 34.17138 7.479891 66.29597       24.32288 50.06000       43.77855 73.54543       29.25331 28.97912 11.07596 35.33190 8.551630 -6.352785      13.99312 
1 1 1 10  14 55 o 23.07387 8.227500 28.72533       23.43480 -11.76000      43.21489 45.59062       27.89212 20.36949 9.381200 27.71596 8.992049 -7.346466      12.99476 
1 1 1 10  14 56 o 29.61610 9.810391 54.56000       33.12624 0.000000       0.000000 54.56000       33.12624 ?        ?        29.61610 9.810391 ?              ?        
1 1 1 10  14 57 o 28.66112 8.671232 49.87114       26.39688 139.3000       45.48299 4.450000       32.41449 46.75444 10.22400 19.66472 8.662169 27.08973       13.40012 
1 1 1 10  14 58 o 43.46739 6.366068 104.4504       26.28303 122.2000       48.80383 97.19949       31.19288 41.71483 11.55546 40.48112 8.154446 1.233711       14.14297 
1 1 1 10  15 0  o 189.9887 4.061528 1768.739       75.53071 1730.934       107.3836 1805.756       106.2584 187.7335 5.850872 191.7724 5.666925 -4.038925      8.145350 
1 1 1 10  15 1  o 151.1826 3.547570 1119.664       52.49752 1093.169       75.66772 1144.252       72.89529 149.2138 5.188679 152.6918 4.883559 -3.477997      7.125414 
1 1 1 10  15 2  o 234.2805 4.752410 2690.831       108.9824 2618.458       153.1994 2764.979       155.0663 230.8060 6.788532 237.1963 6.685545 -6.390274      9.527890 
1 1 1 10  15 3  o 174.8697 3.865489 1498.305       66.16454 1468.480       94.80366 1526.628       92.38478 172.9215 5.608473 176.3415 5.358508 -3.419983      7.756841 
1 1 1 10  15 4  o 157.1493 5.185172 1212.482       79.65017 1194.000       115.9427 1229.000       109.6087 155.6579 7.632954 157.9996 7.105514 -2.341705      10.42834 
1 1 1 10  15 5  o 331.2764 7.394341 5394.202       239.7707 5802.000       439.5476 5221.452       286.0834 341.7385 13.16494 325.4733 8.988498 16.26514       15.94079 
1 1 1 10  15 6  o 158.4284 4.262551 1231.090       66.04105 1311.733       85.97153 1115.000       103.1502 163.4351 5.381406 150.4779 7.022479 12.95718       8.847301 
1 1 1 10  15 7  o 320.9951 6.223876 5058.958       195.5535 4926.534       273.0236 5198.460       280.2259 316.1345 8.831773 324.7506 8.823780 -8.616119      12.48436 
1 1 1 10  15 8  o 104.9275 4.645712 540.8719       47.59591 535.9000       73.87687 544.4000       62.23260 104.1552 7.292462 105.1300 6.073483 -0.9748001     9.490375 
1 1 1 10  15 9  f 100.3272 3.500533 493.7503       34.32361 0.000000       0.000000 493.7503       34.32361 ?        ?        100.3272 3.500533 ?              ?        
1 1 1 10  15 10 o 78.66489 4.626310 304.4958       35.46503 0.000000       0.000000 304.4958       35.46503 ?        ?        78.66489 4.626310 ?              ?        
1 1 1 10  15 11 o 126.4550 3.746604 784.3558       46.32345 0.000000       0.000000 784.3558       46.32345 ?        ?        126.4550 3.746604 ?              ?        
1 1 1 10  15 12 f 323.3098 7.239323 5142.478       229.0989 0.000000       0.000000 5142.478       229.0989 ?        ?        323.3098 7.239323 ?              ?        
1 1 1 10  15 13 o 105.8580 3.528926 549.7516       36.51447 0.000000       0.000000 549.7516       36.51447 ?        ?        105.8580 3.528926 ?              ?        
1 1 1 10  15 14 o 50.12512 3.807921 123.8653       18.54333 83.23000       44.11343 132.5866       20.43659 40.31309 10.91401 51.84513 4.059465 -11.53204      11.64452 
1 1 1 10  15 15 o 151.5966 4.033222 1127.578       59.79457 1136.000       106.8316 1123.737       72.15557 151.7455 7.213119 151.2498 4.880200 0.4956360      8.708929 
1 1 1 10  15 16 o 81.23890 3.110345 323.8349       24.68743 216.4000       50.31419 357.9019       28.33245 65.78349 7.976663 85.39110 3.396508 -19.60760      8.669683 
1 1 1 10  15 17 o 154.0392 4.134847 1164.501       62.28793 1048.000       103.1553 1231.352       78.14165 145.6962 7.256146 158.2963 5.049653 -12.60010      8.840286 
1 1 1 10  15 18 o 174.2889 4.469754 1491.398       76.19053 1360.000       125.1091 1568.858       96.05758 165.8982 7.725653 178.6166 5.500744 -12.71844      9.483876 
1 1 1 10  15 19 o 150.2733 3.536904 1107.051       52.02490 1035.000       100.4655 1133.451       60.81380 144.7615 7.111958 151.9567 4.092338 -7.195282      8.205314 
1 1 1 10  15 20 o 157.7809 3.640638 1220.722       56.22613 1135.000       107.8627 1252.706       65.88572 151.5329 7.293488 159.7271 4.217808 -8.194199      8.425252 
1 1 1 10  15 21 f 230.1661 4.705162 2601.430       106.0040 2630.000       211.8365 2591.886       122.4359 230.0864 9.425928 229.6129 5.447611 0.4734650      10.88690 
1 1 1 10  15 22 o 240.7824 4.877859 2848.699       114.9635 2761.000       223.4783 2880.259       134.0630 235.4786 9.716539 241.9466 5.660872 -6.468033      11.24529 
1 1 1 10  15 23 o 38.80682 6.049279 75.92776       22.22935 0.000000       0.000000 75.92776       22.22935 ?        ?        38.80682 6.049279 ?              ?        
1 1 1 10  15 24 o 108.9997 3.182863 583.1523       33.92221 626.3000       67.19863 568.3970       39.29668 112.5355 6.123560 107.5514 3.738476 4.984138       7.174551 
1 1 1 10  15 25 o 145.3852 3.500784 1037.351       49.81860 1084.000       98.07330 1021.128       57.83628 147.8998 6.792632 144.1111 4.104302 3.788742       7.936317 
1 1 1 10  15 26 o 68.79476 3.934434 233.3103       26.38329 0.000000       0.000000 233.3103       26.38329 ?        ?        68.79476 3.934434 ?              ?        
1 1 1 10  15 27 o 123.4436 3.919045 749.9098       47.29382 0.000000       0.000000 749.9098       47.29382 ?        ?        123.4436 3.919045 ?              ?        
1 1 1 10  15 28 o 95.94240 3.770280 453.3682       35.33817 0.000000       0.000000 453.3682       35.33817 ?        ?        95.94240 3.770280 ?              ?        
1 1 1 10  15 29 o 130.5607 3.953641 840.1034       50.46790 1001.000       91.00575 768.6470       60.64792 141.6767 6.580396 124.6226 4.981833 17.05418       8.253500 
1 1 1 10  15 30 o 199.6674 5.002858 1973.965       97.69884 2334.000       183.5446 1831.627       115.4065 214.6066 8.755991 191.7588 6.156473 22.84778       10.70372 
1 1 1 10  15 31 o 122.4651 3.912065 740.2921       46.83464 792.3000       79.86641 713.0342       57.81964 125.7678 6.509821 119.8850 4.937815 5.882774       8.170666 
1 1 1 10  15 32 o 42.82965 6.323838 93.61903       25.71495 74.29000       36.53276 112.6000       36.20235 37.28148 9.860996 46.46076 8.263427 -9.179283      12.86559 
1 1 1 10  15 33 o 86.59090 3.497254 370.3532       29.58089 369.8089       35.45469 371.6000       53.65990 86.35091 4.207361 85.81119 6.435392 0.5397186      7.688703 
1 1 1 10  15 34 o 75.79480 3.218861 283.6329       23.82637 280.5457       31.23086 287.9319       36.85421 75.13401 4.264103 75.90962 4.987660 -0.7756119     6.561961 
1 1 1 10  15 35 o 152.8111 4.211404 1158.680       62.93233 1176.924       75.45862 1117.000       114.0559 153.5663 5.026809 147.4980 7.929112 6.068237       9.388271 
1 1 1 10  15 36 o 53.29985 3.834644 141.3531       19.87214 147.7130       25.36180 131.2388       31.98306 54.23747 4.827608 50.52933 6.626014 3.708138       8.198162 
1 1 1 10  15 37 f 97.66064 3.278624 471.5640       31.29689 491.7754       42.16386 446.7649       46.70462 99.35586 4.346028 94.38876 5.073789 4.967094       6.680665 
1 1 1 10  15 38 o 43.98638 4.573608 97.48498       19.40453 87.63552       24.96802 112.5080       30.83587 41.11295 6.413653 46.46638 6.996550 -5.353432      9.491399 
1 1 1 10  15 39 o 54.31540 4.009188 147.5210       21.16478 133.4447       27.50188 167.9662       33.14477 51.13097 5.585814 57.25580 6.003270 -6.124836      8.200035 
1 1 1 10  15 40 o 128.3171 3.483361 817.6837       43.71066 815.6728       59.71701 820.0044       64.15359 127.3343 4.799818 127.4081 5.154841 -0.7386780E-01 7.043482 
1 1 1 10  15 41 o 68.89912 3.656626 236.9911       24.57211 236.9992       33.06040 236.9813       36.72879 68.33379 4.976843 68.03108 5.564167 0.3027039      7.465181 
1 1 1 10  15 42 o 20.50677 8.716375 6.542000       30.54878 0.000000       0.000000 6.542000       30.54878 ?        ?        20.50677 8.716375 ?              ?        
1 1 1 10  15 43 o 50.95795 4.285233 131.4410       21.17649 124.6806       27.44880 141.3810       33.28377 48.93638 5.845901 51.66229 6.742667 -2.725914      8.924019 
1 1 1 10  15 44 o 76.84799 3.493378 295.2064       26.20880 298.1064       34.79790 291.4048       39.84166 76.60519 4.662840 75.23968 5.446712 1.365509       7.169990 
1 1 1 10  15 45 o 36.62080 5.660432 70.44560       19.63643 108.5104       25.99538 19.86374       29.96622 45.43575 5.990942 22.59163 9.007252 22.84412       10.81767 
1 1 1 10  15 46 o 44.99858 5.078037 104.7148       21.97643 103.4854       27.47157 106.9000       36.62496 43.96092 6.586843 43.21545 8.952919 0.7454681      11.11491 
1 1 1 10  15 47 o 22.37621 7.478042 26.49446       19.23843 41.02083       26.52448 10.36981       27.94561 26.99405 8.769654 20.17722 8.442818 6.816832       12.17325 
1 1 1 10  15 48 o 40.25426 6.764994 88.15094       25.71093 90.11842       28.68450 80.11000       57.98889 40.22999 7.561891 34.85884 12.86750 5.371147       14.92497 
1 1 1 10  15 49 o 31.29893 6.501036 53.68757       19.26500 39.58768       26.43977 69.64577       28.12818 26.37995 8.765409 34.67708 8.380817 -8.297132      12.12726 
1 1 1 10  15 50 o 19.78006 7.326828 18.58708       18.83010 21.69220       25.39103 14.79229       28.06954 21.73567 8.402040 20.80934 8.562096 0.9263306      11.99599 
1 1 1 10  15 51 o 16.64016 6.988726 5.729618       19.25784 -0.9865571     26.23660 13.57476       28.35612 17.56793 7.763486 20.59773 8.552588 -3.029799      11.55069 
1 1 1 10  15 52 o 23.88023 7.615580 31.88841       20.06544 44.24959       27.86605 18.57751       28.91672 27.46488 8.993114 21.62645 8.768851 5.838428       12.56061 
1 1 1 10  15 53 o 22.39180 7.629641 27.14292       20.02659 49.95810       28.95180 6.210741       27.73135 28.92663 9.138610 19.10858 8.217468 9.818052       12.28987 
1 1 1 10  15 54 o 22.31712 7.637751 27.06445       20.07345 34.72026       29.04858 20.06734       27.77080 25.00772 9.127649 21.63123 8.655372 3.376495       12.57893 
1 1 1 10  15 55 o 23.92079 7.901991 32.24366       21.49622 74.80335       29.82275 -13.78000      31.01266 35.43411 8.670452 17.13365 7.911054 18.30046       11.73719 
1 1 1 10  15 56 o 29.22650 7.929061 50.27370       23.25449 44.74642       32.04807 56.42000       33.79506 27.20895 9.629528 29.90373 9.909049 -2.694773      13.81727 
1 1 1 10  15 57 o 31.24761 8.941040 60.59295       28.73059 81.54000       49.34508 49.85000       35.33818 33.54939 11.94132 28.06115 10.09175 5.488245       15.63453 
1 1 1 10  16 0  o 202.4652 4.259370 2009.225       84.41156 1963.773       119.6085 2054.327       119.1448 199.9098 6.119746 204.4922 5.958756 -4.582458      8.541550 
1 1 1 10  16 1  o 389.4924 7.423999 7458.619       283.0369 7663.812       409.2075 7270.415       391.9024 393.7341 10.62751 383.5524 10.44845 10.18173       14.90349 
1 1 1 10  16 2  o 125.3822 3.881745 771.0977       47.58232 766.8492       60.82156 777.8000       76.39223 124.9463 4.983102 125.7089 6.227750 -0.7625656     7.975975 
1 1 1 10  16 3  o 195.2463 5.937156 1872.973       113.3346 1781.000       158.9863 1968.000       161.6044 189.9840 8.571494 199.7806 8.282023 -9.796616      11.91899 
1 1 1 10  16 4  o 168.0488 4.451628 1385.434       73.16068 1367.649       90.97083 1418.000       123.0977 166.8519 5.577964 169.6549 7.430739 -2.803024      9.291370 
1 1 1 10  16 5  o 92.49905 4.632577 420.5746       41.81015 347.3000       64.28268 474.3000       55.04358 83.63908 7.947346 98.13511 5.755549 -14.49603      9.812577 
1 1 1 10  16 6  o 157.3644 3.674330 1213.428       56.59666 1116.504       79.80781 1311.488       80.27375 150.7454 5.417536 163.4369 5.023809 -12.69150      7.388393 
1 1 1 10  16 7  o 93.98132 3.165335 433.1635       29.07685 376.0000       64.54411 447.7185       32.56893 87.08605 7.649490 95.52831 3.488955 -8.442253      8.407586 
1 1 1 10  16 8  f 239.3256 4.844802 2809.500       113.4936 2521.000       214.2402 2922.048       133.8125 225.7381 9.718706 243.9799 5.603203 -18.24184      11.21825 
1 1 1 10  16 9  o 117.7627 3.676877 680.2849       42.33121 0.000000       0.000000 680.2849       42.33121 ?        ?        117.7627 3.676877 ?              ?        
1 1 1 10  16 10 o 133.4042 3.811666 872.9829       49.72160 0.000000       0.000000 872.9829       49.72160 ?        ?        133.4042 3.811666 ?              ?        
1 1 1 10  16 11 o 177.4849 4.472479 1545.915       77.63719 0.000000       0.000000 1545.915       77.63719 ?        ?        177.4849 4.472479 ?              ?        
1 1 1 10  16 12 o 144.6835 4.733157 1028.079       66.94087 0.000000       0.000000 1028.079       66.94087 ?        ?        144.6835 4.733157 ?              ?        
1 1 1 10  16 13 o 109.0370 4.161100 583.8356       44.32928 0.000000       0.000000 583.8356       44.32928 ?        ?        109.0370 4.161100 ?              ?        
1 1 1 10  16 14 o 108.8162 3.931565 581.3017       41.80719 601.4000       74.27287 571.9803       50.58131 110.3353 6.911890 107.8570 4.803154 2.478302       8.416918 
1 1 1 10  16 15 o 132.5745 3.350061 861.8922       43.43811 810.6000       87.61038 878.6112       50.01907 128.1327 7.012100 133.8154 3.822684 -5.682770      7.986392 
1 1 1 10  16 16 o 73.41882 3.583836 264.8545       25.67720 264.7000       51.18972 264.9064       29.68137 72.95167 7.265196 73.37679 4.149469 -0.4251175     8.366670 
1 1 1 10  16 17 o 110.9058 3.716533 603.7383       40.28881 554.0000       70.75387 627.6037       49.01045 105.8515 6.865886 113.0100 4.439269 -7.158485      8.176032 
1 1 1 10  16 18 o 123.4741 3.266658 747.7754       39.44609 725.1000       81.23922 754.7706       45.12217 121.1321 6.880019 124.0107 3.721484 -2.878639      7.822026 
1 1 1 10  16 19 o 294.7912 5.784259 4274.132       166.9047 3980.000       317.6201 4386.335       196.1732 282.1924 11.52314 298.3799 6.716823 -16.18744      13.33786 
1 1 1 10  16 20 o 122.6425 3.284251 737.8956       39.39060 689.1000       78.47088 754.3332       45.54454 118.0413 6.820589 123.9566 3.758048 -5.915337      7.787385 
1 1 1 10  16 21 o 75.17475 3.741692 277.9243       27.44600 0.000000       0.000000 277.9243       27.44600 ?        ?        75.17475 3.741692 ?              ?        
1 1 1 10  16 22 o 290.6003 5.720359 4158.212       162.7142 4223.000       326.7342 4136.846       187.6369 289.9639 11.53485 289.5553 6.620345 0.4085693      13.29969 
1 1 1 10  16 23 o 93.88320 3.134909 432.7225       28.76800 514.4000       59.30502 407.5890       32.89776 101.9776 5.967362 91.05599 3.698762 10.92159       7.020702 
1 1 1 10  16 24 o 82.70770 3.169335 336.0514       25.61037 355.2000       50.47818 329.4138       29.71948 84.60870 6.136836 81.82708 3.720279 2.781616       7.176435 
1 1 1 10  16 25 f 44.78320 4.136620 99.42278       17.92805 123.9000       34.90339 90.65041       20.89514 49.43040 7.444667 42.59231 5.114128 6.838089       9.032020 
1 1 1 10  16 26 o 116.0522 3.816408 662.6976       43.29358 0.000000       0.000000 662.6976       43.29358 ?        ?        116.0522 3.816408 ?              ?        
1 1 1 10  16 27 o 108.9695 4.590700 586.3248       48.85581 0.000000       0.000000 586.3248       48.85581 ?        ?        108.9695 4.590700 ?              ?        
1 1 1 10  16 28 o 201.7848 4.303416 2007.100       84.99788 1882.000       159.3970 2056.807       100.4750 193.2661 8.446334 204.0007 5.031765 -10.73453      9.831542 
1 1 1 10  16 29 o 76.49628 3.228001 288.2034       24.11587 328.1379       32.39002 238.5284       36.12481 81.48649 4.073793 69.17403 5.377481 12.31245       6.746338 
1 1 1 10  16 30 o 100.1226 3.811513 494.7943       37.28566 507.4000       61.96972 487.6414       46.68055 100.6565 6.321644 99.14336 4.824719 1.513191       7.952427 
1 1 1 10  16 31 o 66.66922 4.986879 221.7049       32.30743 254.4000       47.47320 193.5000       44.09302 70.84950 6.934194 61.52605 7.474739 9.323452       10.19582 
1 1 1 10  16 32 o 78.27288 4.784389 305.1853       36.48080 313.8000       53.50247 297.7000       49.87192 78.59357 7.028855 76.65910 6.714106 1.934464       9.720289 
1 1 1 10  16 33 o 63.56693 4.353206 201.1743       26.92261 185.0000       45.71702 209.7616       33.31149 59.74439 8.020005 64.65282 5.310581 -4.908428      9.618875 
1 1 1 10  16 34 o 44.55402 7.598150 103.6925       31.94845 118.7000       42.46112 84.11000       48.50319 46.98029 9.559198 39.08005 11.73892 7.900242       15.13871 
1 1 1 10  16 35 o 133.6859 4.155455 887.3832       54.31034 896.9000       91.75499 882.2509       67.38199 132.6041 7.094967 132.7652 5.195081 -0.1610870     8.793601 
1 1 1 10  16 36 o 136.4211 3.525424 920.8468       47.03651 929.3539       64.35751 911.0919       68.91553 136.4042 4.827816 134.8189 5.232213 1.585281       7.119259 
1 1 1 10  16 37 o 97.12207 3.308663 466.7502       31.40813 492.3096       42.42206 435.7432       46.72462 99.34724 4.373158 93.11523 5.146492 6.232018       6.753584 
1 1 1 10  16 38 o 65.37549 3.610224 212.4840       23.01260 203.6521       30.30890 224.5063       35.36173 63.57920 4.908195 66.54540 5.477315 -2.966206      7.354683 
1 1 1 10  16 39 o 95.34464 3.364156 451.0582       31.34711 450.3057       41.96726 452.0080       47.14638 94.73812 4.538839 94.60898 5.110043 0.1291428      6.834735 
1 1 1 10  16 40 o 104.0090 3.359230 537.4423       34.15442 535.9769       46.33188 539.1863       50.54610 103.1999 4.598186 103.2400 5.016902 -0.4014587E-01 6.805338 
1 1 1 10  16 41 o 23.49121 8.790622 25.28677       27.23908 0.000000       0.000000 25.28677       27.23908 ?        ?        23.49121 8.790622 ?              ?        
1 1 1 10  16 42 o 53.02721 4.110244 141.8256       21.16756 137.6884       27.97730 147.3648       32.37220 51.58412 5.632350 52.99942 6.367517 -1.415302      8.501096 
1 1 1 10  16 43 o 19.68468 7.360799 16.98852       19.09154 24.74631       24.01521 3.666000       31.47099 22.69164 8.296607 20.16836 8.714162 2.523277       12.03205 
1 1 1 10  16 44 o 45.28864 5.667660 107.0064       24.57601 99.68594       26.77294 146.2000       61.94890 43.26888 6.524038 47.52720 12.96134 -4.258320      14.51066 
1 1 1 10  16 45 o 33.19156 6.554316 59.55608       20.53827 44.00091       25.36511 89.17000       34.99833 27.94369 8.509595 39.21511 9.265815 -11.27142      12.58048 
1 1 1 10  16 46 o 45.98075 4.822710 108.8972       21.38307 102.2847       28.56758 117.3221       32.24587 43.43092 6.954557 46.31318 7.359075 -2.882259      10.12531 
1 1 1 10  16 47 o 38.63895 7.086820 81.93082       25.81554 90.79386       28.91999 47.17000       57.27327 40.41801 7.588604 30.04655 12.28162 10.37147       14.43693 
1 1 1 10  16 48 f 21.61362 7.420284 24.56851       18.95044 27.20377       26.34126 21.74135       27.28351 23.21872 8.653350 22.12016 8.664398 1.098562       12.24550 
1 1 1 10  16 49 o 45.94396 4.763345 109.3359       21.11090 107.9728       28.74166 110.9329       31.10935 44.42902 6.827159 44.67120 7.371607 -0.2421875     10.04742 
1 1 1 10  16 50 o 37.71685 5.609285 75.58324       20.07912 82.27917       27.99360 68.48779       28.81661 38.10274 7.769481 34.16328 8.619203 3.939457       11.60412 
1 1 1 10  16 51 o 70.96872 3.703762 254.6407       25.63956 258.2643       35.31033 250.5994       37.29027 70.43297 5.157518 69.03932 5.565263 1.393646       7.587631 
1 1 1 10  16 52 o 41.24925 5.477319 90.12101       21.56911 125.6366       30.30512 53.66092       30.70547 48.02377 6.623103 29.80603 9.410649 18.21774       11.50764 
1 1 1 10  16 53 o 40.43211 5.672278 87.18537       21.83204 76.19172       29.79079 99.93930       32.08730 35.93221 8.587410 41.63993 8.164507 -5.707722      11.84917 
1 1 1 10  16 54 o 22.79658 7.923169 28.35547       21.63181 40.98119       29.03304 12.60000       32.43248 26.48624 9.180539 21.13144 8.981461 5.354795       12.84324 
1 1 1 10  16 55 o 48.57644 4.997041 123.7288       23.42139 144.9549       34.56147 105.7024       31.85011 50.98012 7.119979 42.84946 7.884242 8.130657       10.62334 
1 1 1 10  16 56 o 39.25482 8.885484 93.64043       33.34309 93.64043       33.34309 0.000000       0.000000 39.25482 8.885484 ?        ?        ?              ?        
1 1 1 10  16 57 o 48.20689 5.549994 124.7509       25.71099 95.17786       34.75491 160.5000       38.21212 39.08849 9.231964 52.84725 7.605832 -13.75876      11.96151 
1 1 1 10  17 0  o 198.1984 4.207550 1925.716       81.62734 1971.212       118.8540 1885.098       112.3015 200.2568 6.070465 195.8582 5.864446 4.398575       8.440515 
1 1 1 10  17 1  o 195.0947 5.913578 1870.597       112.7977 1852.000       162.2344 1888.000       156.9375 193.6762 8.579057 195.6239 8.214215 -1.947647      11.87744 
1 1 1 10  17 2  o 217.9106 5.200593 2329.921       110.9271 2241.000       191.5794 2374.768       136.0537 212.9382 9.213356 219.7728 6.331158 -6.834595      11.17898 
1 1 1 10  17 3  o 288.0525 5.667788 4073.369       159.8054 4234.481       233.1067 3930.511       219.5041 293.1077 8.132823 282.4283 7.948043 10.67938       11.37164 
1 1 1 10  17 4  f 305.3652 6.902760 4584.795       206.3234 4778.559       261.0030 4262.000       336.8771 311.2468 8.575282 292.9081 11.77389 18.33871       14.56571 
1 1 1 10  17 5  f 89.85841 4.571476 397.0114       40.07671 0.000000       0.000000 397.0114       40.07671 ?        ?        89.85841 4.571476 ?              ?        
1 1 1 10  17 6  o 288.4207 5.665239 4084.376       159.9377 4110.000       322.4145 4076.013       184.1991 287.6758 11.47300 287.9724 6.534771 -0.2966309     13.20352 
1 1 1 10  17 7  f 71.33620 3.402478 249.9154       23.68960 180.4000       55.71784 265.2546       26.17309 59.64664 9.889602 73.47926 3.650446 -13.83262      10.54182 
1 1 1 10  17 8  o 176.6766 3.912484 1530.154       67.66091 1414.000       133.3958 1570.388       78.50959 169.2057 8.077502 178.8830 4.487355 -9.677322      9.240260 
1 1 1 10  17 9  o 143.9852 3.514066 1015.988       49.52610 868.5000       97.59777 1067.139       57.47618 132.5962 7.550951 147.4838 3.985067 -14.88757      8.538010 
1 1 1 10  17 10 o 216.8424 5.166680 2308.043       109.6635 0.000000       0.000000 2308.043       109.6635 ?        ?        216.8424 5.166680 ?              ?        
1 1 1 10  17 11 o 61.03021 4.194439 183.5110       24.90440 0.000000       0.000000 183.5110       24.90440 ?        ?        61.03021 4.194439 ?              ?        
1 1 1 10  17 12 o 197.1949 5.850177 1912.382       112.7952 0.000000       0.000000 1912.382       112.7952 ?        ?        197.1949 5.850177 ?              ?        
1 1 1 10  17 13 o 157.6057 4.187602 1219.093       64.54441 0.000000       0.000000 1219.093       64.54441 ?        ?        157.6057 4.187602 ?              ?        
1 1 1 10  17 14 o 125.3958 3.787475 771.6209       46.43453 0.000000       0.000000 771.6209       46.43453 ?        ?        125.3958 3.787475 ?              ?        
1 1 1 10  17 15 o 135.3212 3.959724 898.7862       52.39255 842.8000       91.41737 926.1697       63.93422 130.5997 7.178838 137.2814 4.765126 -6.681763      8.616387 
1 1 1 10  17 16 o 86.64819 3.670062 368.7780       31.05663 349.3000       59.64050 376.0247       36.37797 83.86088 7.339575 87.44237 4.263056 -3.581490      8.487815 
1 1 1 10  17 17 o 74.10497 3.159909 269.6402       22.86810 250.4000       55.35815 273.5990       25.11078 70.73622 8.143715 74.62513 3.447019 -3.888908      8.843191 
1 1 1 10  17 18 o 329.2326 6.392940 5337.859       206.0201 5010.000       394.1009 5461.148       241.6715 315.8227 12.77483 332.6566 7.422038 -16.83383      14.77440 
1 1 1 10  17 19 o 70.88187 5.456106 248.5193       37.56397 251.8000       52.96890 245.2000       53.27942 70.97443 7.750334 69.99557 7.915187 0.9788589      11.07781 
1 1 1 10  17 20 o 162.8125 4.302121 1302.489       68.50082 1257.000       117.4025 1325.969       84.34663 159.2848 7.551533 164.1148 5.257441 -4.830032      9.201431 
1 1 1 10  17 21 o 116.1002 3.258969 661.5590       36.99897 656.2000       75.73958 663.2386       42.40266 115.0960 6.752563 116.1966 3.732995 -1.100647      7.715722 
1 1 1 10  17 22 o 127.4266 3.348548 797.1238       41.72981 873.5000       86.09380 773.6702       47.70869 132.8143 6.643576 125.4694 3.889360 7.344864       7.698326 
1 1 1 10  17 23 o 173.9218 4.531789 1488.639       77.08320 1502.000       131.0903 1481.578       95.29983 173.7919 7.725412 173.2497 5.627169 0.5421906      9.557563 
1 1 1 10  17 24 o 47.41926 4.667819 111.7425       21.38524 0.000000       0.000000 111.7425       21.38524 ?        ?        47.41926 4.667819 ?              ?        
1 1 1 10  17 25 o 119.9503 3.272214 706.9680       38.38338 780.8000       77.47701 682.9526       44.18711 125.3975 6.332654 117.8060 3.837087 7.591507       7.404441 
1 1 1 10  17 26 o 178.7372 3.967952 1572.000       69.42046 1784.000       145.1250 1509.098       79.05131 188.7679 7.871581 174.8971 4.621693 13.87083       9.128079 
1 1 1 10  17 27 o 126.4479 3.975977 788.1344       49.14977 0.000000       0.000000 788.1344       49.14977 ?        ?        126.4479 3.975977 ?              ?        
1 1 1 10  17 28 o 110.4679 3.280521 600.5903       35.43265 682.3000       69.78733 572.2113       41.12806 116.9610 6.117043 107.6974 3.907934 9.263527       7.258799 
1 1 1 10  17 29 f 161.6927 4.352909 1292.299       68.83051 1289.000       114.1828 1294.182       86.26622 160.0608 7.307295 161.3510 5.470049 -1.290222      9.127870 
1 1 1 10  17 30 o 72.31318 3.737096 258.5639       26.36223 268.3658       32.16338 238.5000       46.01651 73.51014 4.491446 68.57893 6.951047 4.931213       8.275877 
1 1 1 10  17 31 o 79.15813 3.320257 309.2923       25.66894 304.9124       33.95342 315.1349       39.21520 78.33147 4.446604 79.45990 5.068391 -1.128433      6.742467 
1 1 1 10  17 32 o 95.69638 3.231312 451.8254       30.22437 466.7727       41.36693 434.7082       44.26779 96.94791 4.370456 93.39107 4.859289 3.556847       6.535562 
1 1 1 10  17 33 o 33.23430 6.768233 57.71334       21.26861 66.90599       24.05450 24.78000       45.52962 35.74412 7.125365 27.60019 11.06930 8.143934       13.16435 
1 1 1 10  17 34 o 63.17223 4.496744 199.3504       27.62370 187.9000       45.44827 206.0587       34.78678 60.06690 7.922944 63.87429 5.621219 -3.807388      9.714481 
1 1 1 10  17 35 o 139.0282 4.191241 960.5162       56.97121 1121.000       102.2129 888.1888       68.61861 148.1738 7.067763 133.0968 5.277519 15.07701       8.820742 
1 1 1 10  17 36 o 44.62103 5.924179 102.0871       25.23592 64.08000       41.75429 123.9608       31.67604 34.29958 10.99076 48.91323 6.799650 -14.61365      12.92409 
1 1 1 10  17 37 o 65.77930 4.540184 216.9275       29.05337 205.0000       48.64777 223.5403       36.22261 62.32278 8.171253 66.36194 5.629480 -4.039154      9.922723 
1 1 1 10  17 38 o 34.63790 7.242785 64.07200       23.76509 61.30000       42.38295 65.34323       28.70167 33.35217 11.09830 34.55354 8.536560 -1.201374      14.00161 
1 1 1 10  17 39 o 39.49617 6.556546 82.12713       24.45917 82.50000       42.56658 81.94332       29.88556 37.75624 10.90794 38.77612 8.133959 -1.019878      13.60678 
1 1 1 10  17 40 o 38.26929 8.303337 80.87733       30.20772 0.000000       0.000000 80.87733       30.20772 ?        ?        38.26929 8.303337 ?              ?        
1 1 1 10  17 41 o 22.55316 7.156837 26.74578       17.73903 29.10687       23.59742 23.67775       26.89914 23.87486 8.276578 23.00575 8.708129 0.8691120      12.01388 
1 1 1 10  17 42 o 48.21663 4.434690 118.1710       20.69559 98.13820       26.93885 147.0222       32.32887 42.93386 6.622980 52.84404 6.379035 -9.910179      9.195431 
1 1 1 10  17 43 o 25.06668 7.160501 34.31186       18.44201 24.65622       24.05626 48.07550       28.72133 22.62092 8.298366 29.14375 9.087386 -6.522831      12.30624 
1 1 1 10  17 44 o 54.25257 4.459109 149.8099       23.47079 165.6160       29.41269 122.1000       38.94394 56.58195 5.375165 46.39829 8.898599 10.18365       10.39603 
1 1 1 10  17 45 f 42.38677 6.270049 95.67691       25.23021 90.61858       27.82144 119.1000       59.86848 40.69907 7.249582 42.14938 13.11652 -1.450317      14.98665 
1 1 1 10  17 46 o 28.80951 8.308489 47.33979       24.71640 51.13892       27.26625 29.83000       58.53613 29.76387 8.767654 28.06361 12.00110 1.700262       14.86264 
1 1 1 10  17 47 o 16.23864 6.872274 4.159652       18.85092 -13.41692      25.72838 24.53186       27.69902 15.72543 7.240965 22.84414 8.790085 -7.118706      11.38847 
1 1 1 10  17 48 o 21.85162 7.375978 25.48005       18.71352 28.98980       25.48629 21.37422       27.56569 23.51969 8.554945 22.05517 8.687908 1.464518       12.19290 
1 1 1 10  17 49 f 80.87497 4.190084 333.1214       33.05671 359.8000       56.83124 319.4797       40.63873 81.02808 7.241737 78.25708 5.337249 2.770996       8.996054 
1 1 1 10  17 50 o 29.38216 6.813417 48.18830       19.21390 63.96085       27.41703 32.96602       26.93451 33.00351 8.451180 24.53946 8.812300 8.464052       12.20979 
1 1 1 10  17 51 o 34.37187 6.115963 64.14494       19.82238 39.39686       27.38489 91.38318       28.72960 26.15576 8.921677 40.21558 7.576282 -14.05982      11.70455 
1 1 1 10  17 52 o 47.27356 4.759694 116.0277       21.72488 101.3912       29.61751 133.0750       31.96370 42.52923 7.382285 49.27094 6.809509 -6.741707      10.04328 
1 1 1 10  17 53 o 25.79147 7.942839 38.37295       22.02002 46.03701       28.81797 27.62000       34.13483 27.76396 9.148305 24.00682 9.599352 3.757139       13.26043 
1 1 1 10  17 54 o 43.28468 5.209325 98.82548       21.62786 123.2106       31.85295 77.96679       29.45986 47.00905 7.147293 36.32825 8.445433 10.68080       11.06387 
1 1 1 10  17 55 o 20.38963 8.248910 16.92424       25.52414 -4.753578      29.59588 79.85000       50.42404 17.74395 8.012694 33.55876 12.05663 -15.81481      14.47638 
1 1 1 10  17 56 o 64.13068 4.445157 213.2762       27.73085 210.6322       36.26326 217.0000       43.03523 62.30783 6.020823 61.95988 7.231721 0.3479462      9.410000 
1 1 1 10  18 0  f 138.5285 4.969141 942.8026       67.27019 847.3000       94.47949 1041.000       95.80314 131.0000 7.398243 145.3452 6.752452 -14.34512      10.01647 
1 1 1 10  18 1  o 125.8011 3.370567 776.0147       41.46696 760.0262       62.11570 788.8685       55.69463 124.3429 5.114488 126.7464 4.496348 -2.403526      6.809929 
1 1 1 10  18 2  o 249.4694 7.152840 3064.721       174.4831 3075.000       250.2726 3055.000       243.3844 249.0725 10.28767 248.3363 10.03324 0.7361603      14.37018 
1 1 1 10  18 3  o 93.23976 3.938581 426.9369       35.86475 474.0000       69.06534 409.5601       41.96672 97.87453 7.260868 91.25030 4.714543 6.624229       8.657200 
1 1 1 10  18 4  o 171.2426 4.387871 1439.064       73.48758 0.000000       0.000000 1439.064       73.48758 ?        ?        171.2426 4.387871 ?              ?        
1 1 1 10  18 5  o 199.1646 4.931025 1946.452       96.12923 2119.000       177.1198 1874.403       114.4527 207.0385 8.759759 195.2300 5.996370 11.80855       10.61555 
1 1 1 10  18 6  o 230.9133 4.727835 2616.030       106.8606 2391.000       205.2003 2699.765       125.1732 219.7237 9.563928 234.4845 5.453696 -14.76080      11.00961 
1 1 1 10  18 7  o 185.7475 4.739824 1693.929       86.10659 1878.000       160.0448 1618.942       102.1509 194.9407 8.407269 181.4494 5.758785 13.49135       10.19047 
1 1 1 10  18 8  o 132.3046 3.949677 858.9789       51.09239 866.6000       93.95143 855.7787       60.88198 132.4723 7.273474 131.9825 4.720262 0.4897766      8.670888 
1 1 1 10  18 9  o 72.50826 3.377789 258.2061       23.90733 159.6000       55.24842 280.9241       26.51872 55.87029 10.48766 75.62096 3.592925 -19.75066      11.08603 
1 1 1 10  18 10 o 41.84638 4.970871 87.15363       19.96351 -27.26000      50.29890 108.5470       21.75000 23.03657 10.42013 46.78456 4.818352 -23.74799      11.48023 
1 1 1 10  18 11 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  18 12 o 381.9770 10.45555 7243.895       390.5546 0.000000       0.000000 7243.895       390.5546 ?        ?        381.9770 10.45555 ?              ?        
1 1 1 10  18 13 o 279.5965 6.385287 3846.335       174.7505 0.000000       0.000000 3846.335       174.7505 ?        ?        279.5965 6.385287 ?              ?        
1 1 1 10  18 14 o 65.03454 4.526450 208.5725       28.63445 0.000000       0.000000 208.5725       28.63445 ?        ?        65.03454 4.526450 ?              ?        
1 1 1 10  18 15 o 141.3641 4.900890 982.5888       67.71157 0.000000       0.000000 982.5888       67.71157 ?        ?        141.3641 4.900890 ?              ?        
1 1 1 10  18 16 o 122.3908 3.303021 734.8601       39.53385 562.5000       78.77776 792.8798       45.70597 106.4772 7.608735 127.0987 3.677754 -20.62144      8.450959 
1 1 1 10  18 17 o 198.7125 4.240029 1938.029       82.47082 1768.000       158.5080 2001.143       96.57152 188.7748 8.600888 201.8280 4.888340 -13.05316      9.892984 
1 1 1 10  18 18 o 58.80853 3.490576 170.2095       20.00256 83.77000       51.63670 185.4702       21.69654 40.57362 12.09458 61.38419 3.627171 -20.81057      12.62677 
1 1 1 10  18 19 o 94.21835 3.159036 435.7460       29.09255 372.9000       61.91001 453.5568       32.95819 86.54962 7.378128 96.09393 3.509873 -9.544312      8.170433 
1 1 1 10  18 20 o 96.51530 3.899726 458.0327       36.76557 424.6000       63.17505 475.1545       45.21014 92.42486 7.036013 98.20114 4.717208 -5.776283      8.470982 
1 1 1 10  18 21 o 24.90594 7.971049 30.12990       21.96718 92.67000       40.99234 4.934735       26.01849 42.22024 10.06238 19.73627 8.193476 22.48397       12.97631 
1 1 1 10  18 22 o 43.58095 7.167278 96.51130       29.51242 0.000000       0.000000 96.51130       29.51242 ?        ?        43.58095 7.167278 ?              ?        
1 1 1 10  18 23 o 63.10778 4.317420 196.8235       26.50876 242.4000       45.92413 174.0495       32.46308 69.60649 6.828154 59.10534 5.681099 10.50116       8.882487 
1 1 1 10  18 24 o 157.4654 4.316605 1221.472       66.46972 1356.000       117.9372 1158.846       80.46732 164.9245 7.323929 153.0964 5.378034 11.82814       9.086429 
1 1 1 10  18 25 o 108.8060 3.835849 583.1185       40.78877 467.3000       63.35974 665.0888       53.30309 96.72223 6.734449 116.0298 4.703029 -19.30753      8.214090 
1 1 1 10  18 26 o 167.8559 5.568809 1397.499       91.36995 0.000000       0.000000 1397.499       91.36995 ?        ?        167.8559 5.568809 ?              ?        
1 1 1 10  18 27 o 36.70116 6.361754 68.93507       22.02622 159.3000       37.85448 22.67997       27.08302 56.02009 7.059927 23.69081 8.784819 32.32927       11.27012 
1 1 1 10  18 28 o 72.79414 4.040227 262.2123       28.67486 329.2000       49.28460 227.9311       35.25672 81.00617 6.264294 67.55939 5.375809 13.44678       8.254738 
1 1 1 10  18 29 o 83.57623 4.525731 346.7130       36.88540 403.5000       53.61959 295.7000       50.82055 89.66773 6.146326 76.45428 6.863939 13.21346       9.213630 
1 1 1 10  18 30 o 22.66132 7.739329 24.32391       20.60865 -3.630000      32.97325 42.24413       26.40050 20.25254 8.833494 28.55603 8.678599 -8.303492      12.38340 
1 1 1 10  18 31 o 60.37717 4.321429 181.5262       25.37026 189.7000       40.97913 176.4462       32.30602 60.90750 7.000777 59.16451 5.646904 1.742989       8.994354 
1 1 1 10  18 32 o 46.13068 6.717734 109.5603       29.44289 83.48000       37.18325 153.4000       48.20863 39.23827 9.729525 53.58437 9.541189 -14.34610      13.62710 
1 1 1 10  18 33 o 76.11485 4.030868 287.9025       29.92423 258.5000       46.93224 308.0442       38.84431 71.10522 6.826944 78.39282 5.089782 -7.287605      8.515459 
1 1 1 10  18 34 o 57.40028 4.680326 165.1859       26.06835 180.9000       41.03227 154.5508       33.75616 59.15263 7.237291 54.94471 6.395984 4.207916       9.658520 
1 1 1 10  18 35 o 57.72329 4.672580 167.2725       26.17511 128.6000       40.50117 195.0108       34.30101 49.00357 8.765531 61.98367 5.717992 -12.98010      10.46566 
1 1 1 10  18 36 o 18.52725 7.483295 9.135728       20.96782 -3.915000      33.71975 17.36340       26.77352 20.16524 8.860431 21.97949 8.590729 -1.814253      12.34131 
1 1 1 10  18 37 o 33.13601 7.112495 58.56319       22.37886 34.67000       35.85894 73.80556       28.64090 27.21844 10.10550 36.90822 8.146320 -9.689774      12.98013 
1 1 1 10  18 38 o 23.19313 7.921298 26.91872       21.58920 45.07000       36.00620 16.73005       26.97630 29.28071 10.21929 21.69550 8.579492 7.585213       13.34322 
1 1 1 10  18 39 o 59.03252 5.957300 180.1922       33.95244 0.000000       0.000000 180.1922       33.95244 ?        ?        59.03252 5.957300 ?              ?        
1 1 1 10  18 40 o 27.58792 7.601094 41.69912       21.18053 -5.608000      32.32527 77.28922       28.03778 19.14637 8.530304 37.51189 7.886724 -18.36552      11.61751 
1 1 1 10  18 41 f 26.74273 7.731794 39.30530       21.37941 -6.917000      32.71466 73.76106       28.24539 19.01535 8.518931 36.41576 8.130106 -17.40042      11.77586 
1 1 1 10  18 42 o 25.94086 7.925399 36.94845       21.97840 -5.764000      33.89990 67.92067       28.86738 19.43881 8.692950 34.63088 8.564410 -15.19206      12.20313 
1 1 1 10  18 43 o 33.14479 7.592609 60.92268       24.10247 84.42000       36.06105 41.95000       32.40362 37.96130 9.677235 27.66421 9.691804 10.29709       13.69598 
1 1 1 10  18 44 o 41.95011 8.201411 98.80082       32.46918 67.71000       37.86317 185.2000       63.11835 33.52430 10.43083 54.03412 12.22105 -20.50983      16.06724 
1 1 1 10  18 45 o 22.39093 8.372482 24.11079       24.69972 13.78000       34.29106 35.25000       35.60748 22.14754 9.315227 26.22719 9.997545 -4.079655      13.66471 
1 1 1 10  18 46 f 63.70398 5.854257 213.5347       36.09647 175.2000       42.49271 312.9000       68.41248 56.05054 7.969443 72.97311 9.827394 -16.92257      12.65266 
1 1 1 10  18 47 o 26.60161 7.699759 40.19855       21.19149 42.10000       31.89638 38.69599       28.35398 27.13057 9.606247 26.16592 9.072381 0.9646454      13.21318 
1 1 1 10  18 48 o 33.29382 6.281490 60.42321       19.72032 45.54809       26.71751 78.22619       29.22888 27.88834 8.774703 36.71121 8.326247 -8.822866      12.09636 
1 1 1 10  18 49 o 31.62707 6.523264 55.05404       19.52362 43.61408       26.92639 67.73536       28.34969 27.35751 8.831684 33.97398 8.536665 -6.616472      12.28305 
1 1 1 10  18 50 o 35.08826 5.962166 66.44825       19.74531 66.35518       27.46738 66.54778       28.40436 33.65450 8.372409 33.55745 8.606724 0.9704971E-01  12.00720 
1 1 1 10  18 51 o 45.83263 4.874446 109.4294       21.53282 114.8546       30.16878 103.7956       30.74336 45.60421 6.980172 42.87538 7.603907 2.728825       10.32193 
1 1 1 10  18 52 o 47.76051 5.145226 119.6862       23.67453 110.7257       29.99174 134.5000       38.56290 44.62611 7.103956 48.09476 8.502480 -3.468651      11.07964 
1 1 1 10  18 53 o 29.16554 7.122624 48.31675       20.15522 48.13807       28.71782 48.49019       28.29445 28.28668 9.119784 28.40003 9.041822 -0.1133575     12.84231 
1 1 1 10  18 54 o 19.49875 8.079555 12.65519       25.23308 6.837715       29.05645 30.50000       50.88987 19.34241 8.365274 26.09924 11.17612 -6.756828      13.96006 
1 1 1 10  18 55 o 25.92765 7.732281 39.43998       21.10159 34.97571       29.22833 44.30000       30.49637 24.70741 9.132636 26.92697 9.404466 -2.219561      13.10912 
1 1 1 10  18 56 o 29.08578 7.480716 49.68938       21.41726 87.01488       29.97876 10.78000       30.60821 38.11184 8.273914 20.08182 8.634561 18.03002       11.95882 
1 1 1 10  19 0  o 149.5840 4.114246 1098.021       60.18232 1192.000       115.7652 1063.215       70.45061 155.3634 7.635820 147.1093 4.899421 8.254074       9.072490 
1 1 1 10  19 1  o 310.0598 6.991616 4731.372       212.1921 4797.000       372.8258 4699.928       258.0668 310.1700 12.30446 308.4866 8.554786 1.683319       14.98613 
1 1 1 10  19 2  o 327.6399 7.368525 5286.493       236.3108 5860.000       440.1928 5054.295       280.0928 342.4046 13.15849 319.7694 8.957502 22.63519       15.91800 
1 1 1 10  19 3  o 346.4168 7.746166 5913.917       262.6588 6646.000       493.8194 5625.092       310.1738 364.2270 13.87666 337.1741 9.407393 27.05286       16.76486 
1 1 1 10  19 4  o 199.5419 4.246278 1952.799       82.93709 1940.000       168.7826 1956.873       95.22676 198.0303 8.728872 199.6836 4.872035 -1.653244      9.996496 
1 1 1 10  19 5  o 237.4675 4.840208 2767.491       112.5057 2621.000       220.4768 2819.066       130.8196 229.9073 9.819863 239.5613 5.578917 -9.653976      11.29398 
1 1 1 10  19 6  o 112.1449 4.773194 618.2945       52.27577 0.000000       0.000000 618.2945       52.27577 ?        ?        112.1449 4.773194 ?              ?        
1 1 1 10  19 7  o 194.0232 4.174373 1846.302       79.27770 1594.000       149.7060 1944.628       93.45753 179.4773 8.546199 199.0552 4.796612 -19.57787      9.800255 
1 1 1 10  19 8  o 76.94391 3.416276 290.7378       25.66547 200.6000       59.37073 311.4537       28.46235 62.89364 9.976717 79.62383 3.661725 -16.73019      10.62747 
1 1 1 10  19 9  o 149.8194 4.136388 1101.728       60.60100 906.0000       102.8162 1205.922       75.01672 135.3234 7.795140 156.6598 4.898107 -21.33633      9.206284 
1 1 1 10  19 10 o 95.01301 3.621975 443.2112       33.62318 407.8000       68.12912 454.6131       38.65916 90.60436 7.756604 96.18562 4.115676 -5.581261      8.780871 
1 1 1 10  19 11 o 134.0849 4.029650 882.6135       52.82753 745.1000       90.12668 954.5865       65.20272 122.6934 7.541006 139.3636 4.786911 -16.67021      8.932036 
1 1 1 10  19 12 o 191.8571 6.025898 1812.406       113.0230 0.000000       0.000000 1812.406       113.0230 ?        ?        191.8571 6.025898 ?              ?        
1 1 1 10  19 13 o 221.6222 6.491279 2420.740       140.6635 0.000000       0.000000 2420.740       140.6635 ?        ?        221.6222 6.491279 ?              ?        
1 1 1 10  19 14 o 212.5743 5.108042 2220.374       106.2849 0.000000       0.000000 2220.374       106.2849 ?        ?        212.5743 5.108042 ?              ?        
1 1 1 10  19 15 o 163.9665 4.277507 1320.498       68.59319 0.000000       0.000000 1320.498       68.59319 ?        ?        163.9665 4.277507 ?              ?        
1 1 1 10  19 16 o 40.77249 3.906882 82.31415       15.40153 23.46000       49.38296 88.65565       16.21007 29.17663 11.58564 42.32142 3.959025 -13.14479      12.24340 
1 1 1 10  19 17 o 135.1142 3.889111 896.6708       51.38133 0.000000       0.000000 896.6708       51.38133 ?        ?        135.1142 3.889111 ?              ?        
1 1 1 10  19 18 o 80.07190 3.202745 314.9201       25.05138 200.9000       57.27594 341.8922       27.85726 62.81944 9.620625 83.41547 3.419063 -20.59603      10.21011 
1 1 1 10  19 19 o 130.0997 5.021638 834.0613       63.82809 865.6000       90.68645 803.1000       89.85242 132.1115 7.038265 127.1880 7.247340 4.923508       10.10253 
1 1 1 10  19 20 o 85.08595 3.969108 356.3939       32.96541 272.2000       55.64085 401.9323       40.92062 73.64981 7.838480 90.27632 4.646498 -16.62651      9.112174 
1 1 1 10  19 21 o 99.02927 3.856525 482.5556       37.31083 550.7000       66.80600 451.6648       44.97948 105.2964 6.513688 95.65535 4.819483 9.641090       8.102811 
1 1 1 10  19 22 o 74.49033 4.055312 273.6561       29.45706 287.1000       51.07727 266.9562       36.05758 75.75450 6.966263 73.41518 5.048430 2.339317       8.603225 
1 1 1 10  19 23 o 63.67454 5.432321 201.7538       33.53466 0.000000       0.000000 201.7538       33.53466 ?        ?        63.67454 5.432321 ?              ?        
1 1 1 10  19 24 o 72.96313 4.092607 262.9564       29.11157 321.6000       50.83950 234.3470       35.50958 80.18267 6.534205 68.64085 5.326807 11.54182       8.430344 
1 1 1 10  19 25 o 162.9924 4.422044 1311.606       70.48475 1310.000       119.0636 1312.472       87.45618 161.5569 7.550055 162.6602 5.500829 -1.103317      9.341437 
1 1 1 10  19 26 o 80.63131 5.044180 323.1179       39.61133 0.000000       0.000000 323.1179       39.61133 ?        ?        80.63131 5.044180 ?              ?        
1 1 1 10  19 27 o 141.3463 4.152732 987.1196       57.39226 1055.000       98.73136 952.4761       70.53320 144.8946 6.981950 138.4647 5.213445 6.429916       8.713647 
1 1 1 10  19 28 o 114.8645 4.644374 654.6224       52.11020 747.2000       76.94858 576.2000       70.82196 121.9674 6.468543 106.9161 6.802632 15.05130       9.387111 
1 1 1 10  19 29 o 101.9962 3.823803 514.5380       38.10799 461.3000       62.09822 546.6985       48.26483 95.53690 6.682656 104.8573 4.714527 -9.320381      8.178304 
1 1 1 10  19 30 o 42.65895 5.525438 92.30714       22.53040 78.97449       25.55754 138.8000       47.72586 39.00759 6.948450 50.84760 9.945507 -11.84001      12.13236 
1 1 1 10  19 31 o 93.16421 3.746722 429.8257       34.09731 425.8600       39.73606 440.9000       66.40287 92.52784 4.399996 92.83034 7.368274 -0.3024979     8.582042 
1 1 1 10  19 32 o 35.17097 5.596383 63.43127       18.62140 50.05242       24.60144 81.37967       28.49469 30.65096 8.084961 39.27827 7.686827 -8.627314      11.15589 
1 1 1 10  19 33 o 33.53712 6.055564 58.29717       19.14729 75.29710       26.14521 38.63340       28.11913 37.82008 7.327262 27.49338 9.035599 10.32670       11.63318 
1 1 1 10  19 34 o 45.00217 4.752713 102.1635       20.61952 66.22263       27.59893 147.5694       31.02093 35.10278 8.183884 53.75354 5.997861 -18.65076      10.14644 
1 1 1 10  19 35 o 60.24187 4.529928 182.0457       26.51569 150.7000       41.56729 203.5518       34.43056 53.29340 8.233478 63.32021 5.613242 -10.02681      9.964870 
1 1 1 10  19 36 o 22.07299 7.819083 22.96214       21.13428 -36.45000      33.65050 61.66269       27.15892 16.34227 7.762184 33.65745 8.297336 -17.31518      11.36210 
1 1 1 10  19 37 o 81.18652 4.005704 329.4609       31.73409 245.6000       47.91628 394.9828       42.35421 68.42323 7.265322 88.45750 4.910929 -20.03427      8.769386 
1 1 1 10  19 38 o 38.05518 6.228262 76.11559       22.39813 57.27000       33.97806 90.59769       29.78581 31.88886 9.874554 40.90805 7.721650 -9.019192      12.53518 
1 1 1 10  19 39 o 25.03890 7.722282 33.77345       20.80499 42.97000       32.78729 27.57450       26.91857 28.22013 9.757350 23.93707 8.778675 4.283058       13.12521 
1 1 1 10  19 40 o 37.54840 6.394017 74.95184       22.65883 76.07000       34.88014 74.13544       29.80408 36.24852 9.657404 36.32380 8.529194 -0.7527542E-01 12.88459 
1 1 1 10  19 41 o 21.13252 7.918566 20.11940       22.11806 40.05000       31.46219 0.6447000      31.10028 27.24257 9.549540 19.57332 8.557240 7.669254       12.82264 
1 1 1 10  19 42 o 45.97198 5.878938 110.8619       25.84984 103.5000       36.22526 118.5000       36.89843 42.61037 8.969602 45.98323 8.511286 -3.372860      12.36510 
1 1 1 10  19 43 o 23.45579 8.941550 25.74996       28.48352 34.87000       32.64722 -3.320000      58.28678 25.98249 9.643146 24.72264 11.19653 1.259850       14.77676 
1 1 1 10  19 44 o 18.31314 7.470770 10.04710       21.14076 7.834000       32.47407 11.67491       27.85073 20.81897 8.921667 20.38073 8.470407 0.4382362      12.30219 
1 1 1 10  19 45 o 28.33644 7.700373 45.35929       21.91091 27.92000       34.36412 57.30612       28.44246 24.58459 9.695339 31.32821 8.873771 -6.743622      13.14319 
1 1 1 10  19 46 o 71.92190 4.672143 265.7972       32.71348 238.3000       45.77550 294.5000       46.76815 65.98820 7.203838 74.10756 6.513556 -8.119362      9.711935 
1 1 1 10  19 47 o 38.10967 8.462834 84.50891       30.74661 87.65000       37.56146 78.13000       53.52731 37.65107 10.01747 34.06615 12.39697 3.584911       15.93846 
1 1 1 10  19 48 o 25.57424 7.971333 37.20523       22.10207 -1.205000      35.61335 61.26681       28.18717 19.99660 8.928417 32.17780 8.729535 -12.18120      12.48685 
1 1 1 10  19 49 o 26.43307 7.882343 40.17003       21.92931 49.22000       36.31203 34.97456       27.51308 28.61822 10.23733 25.03632 8.916050 3.581903       13.57567 
1 1 1 10  19 50 o 46.98883 5.463521 116.7288       24.66085 103.0000       40.31843 124.9351       31.17179 40.57299 10.17235 47.64867 6.882739 -7.075684      12.28205 
1 1 1 10  19 51 o 59.91993 4.807244 186.1989       27.95873 228.0000       46.24380 162.1160       35.10049 63.86857 7.542407 54.46254 6.727135 9.406029       10.10654 
1 1 1 10  19 52 o 33.02920 7.333058 62.13609       23.08963 84.59000       39.46342 50.44841       28.47165 36.17194 10.51841 28.89654 9.053430 7.275398       13.87810 
1 1 1 10  19 53 o 43.13578 8.120296 108.0192       33.02816 119.4000       41.43994 88.20000       54.68580 43.75031 9.907746 34.94677 12.55574 8.803532       15.99406 
1 1 1 10  19 54 o 28.90709 7.786852 49.17407       22.52351 33.72000       38.11908 57.46371       27.91830 25.19320 10.12002 30.62422 8.829787 -5.431019      13.43056 
1 1 1 10  19 55 o 28.17232 8.251967 48.09464       24.21136 56.05000       37.27698 42.29000       31.84187 29.19006 10.38002 26.28568 9.562129 2.904371       14.11308 
1 1 1 10  20 0  o 33.49742 5.874185 56.75161       18.55849 20.06000       53.18867 61.83780       19.80305 29.58439 11.92954 34.98166 5.999290 -5.397268      13.35310 
1 1 1 10  20 1  o 136.4657 4.880721 915.2876       65.08994 0.000000       0.000000 915.2876       65.08994 ?        ?        136.4657 4.880721 ?              ?        
1 1 1 10  20 2  f 151.6833 3.637905 1127.895       54.01263 1156.000       115.8932 1120.096       61.04807 152.9209 7.768014 151.0657 4.132453 1.855133       8.798820 
1 1 1 10  20 3  o 247.9762 7.124228 3031.136       172.7443 3055.000       249.0173 3009.000       239.8359 247.9985 10.28056 246.2284 9.971698 1.770111       14.32218 
1 1 1 10  20 4  o 100.7899 4.780962 499.7241       47.03257 0.000000       0.000000 499.7241       47.03257 ?        ?        100.7899 4.780962 ?              ?        
1 1 1 10  20 5  o 105.1534 3.345344 542.4792       34.38881 510.9000       76.60857 550.4483       38.48401 101.4889 7.770844 105.8935 3.718601 -4.404510      8.614756 
1 1 1 10  20 6  o 316.9839 6.184567 4942.215       191.8901 4721.000       373.2955 5021.663       223.7097 307.2488 12.43813 319.2510 7.158899 -12.00220      14.35120 
1 1 1 10  20 7  o 180.0623 4.593005 1592.298       80.88563 1436.000       138.5384 1673.132       99.62981 170.3056 8.335976 184.4382 5.524869 -14.13261      10.00063 
1 1 1 10  20 8  o 211.0164 6.180372 2192.506       127.5172 0.000000       0.000000 2192.506       127.5172 ?        ?        211.0164 6.180372 ?              ?        
1 1 1 10  20 9  o 169.9513 4.411783 1418.431       73.32928 0.000000       0.000000 1418.431       73.32928 ?        ?        169.9513 4.411783 ?              ?        
1 1 1 10  20 10 o 50.63490 4.051099 126.5804       19.91104 128.2000       52.37558 126.3068       21.52729 49.79331 11.03625 50.54080 4.395184 -0.7474899     11.87924 
1 1 1 10  20 11 o 139.1178 4.125549 950.4816       56.11652 775.8000       93.99467 1047.226       69.95085 125.1071 7.713152 145.9307 4.904078 -20.82368      9.140170 
1 1 1 10  20 12 o 135.7658 4.058278 905.2243       53.87044 867.0000       95.69776 922.9557       65.17825 132.3286 7.417950 136.9872 4.868640 -4.658569      8.872972 
1 1 1 10  20 13 o 167.3372 4.339936 1375.555       71.02568 0.000000       0.000000 1375.555       71.02568 ?        ?        167.3372 4.339936 ?              ?        
1 1 1 10  20 14 o 101.5882 3.534920 506.7905       35.09674 0.000000       0.000000 506.7905       35.09674 ?        ?        101.5882 3.534920 ?              ?        
1 1 1 10  20 15 o 93.13097 3.483945 426.0281       31.70336 0.000000       0.000000 426.0281       31.70336 ?        ?        93.13097 3.483945 ?              ?        
1 1 1 10  20 16 o 255.9624 7.282930 3242.472       182.2832 0.000000       0.000000 3242.472       182.2832 ?        ?        255.9624 7.282930 ?              ?        
1 1 1 10  20 17 o 153.1678 4.140767 1153.184       62.02345 0.000000       0.000000 1153.184       62.02345 ?        ?        153.1678 4.140767 ?              ?        
1 1 1 10  20 18 f 153.2879 4.172348 1155.437       62.54469 0.000000       0.000000 1155.437       62.54469 ?        ?        153.2879 4.172348 ?              ?        
1 1 1 10  20 19 o 58.81168 4.733081 171.3266       27.01677 122.2000       47.92203 194.2153       32.71053 48.42494 10.41938 62.53569 5.396586 -14.11075      11.73400 
1 1 1 10  20 20 o 65.62476 4.322099 212.7787       27.60858 127.2000       47.32062 256.9430       33.99407 49.43171 10.12097 72.06007 4.847710 -22.62836      11.22205 
1 1 1 10  20 21 o 62.07619 4.489170 190.7420       27.09277 177.3000       47.25152 197.3255       33.06844 58.99132 8.421969 62.98537 5.416288 -3.994053      10.01328 
1 1 1 10  20 22 o 61.23840 5.527663 186.9385       32.77748 0.000000       0.000000 186.9385       32.77748 ?        ?        61.23840 5.527663 ?              ?        
1 1 1 10  20 23 o 38.25443 6.280484 74.52525       22.70156 85.75000       40.42410 69.35445       27.43660 40.28752 10.23290 36.53373 7.902556 3.753792       12.92914 
1 1 1 10  20 24 o 96.62259 3.932950 460.6922       37.11886 460.4000       61.98294 460.8556       46.34895 95.86874 6.646393 96.41537 4.927540 -0.5466232     8.273765 
1 1 1 10  20 25 o 119.8539 3.369423 707.3946       39.48959 612.4000       74.78860 744.1176       46.50024 110.3909 6.956809 122.8074 3.873182 -12.41643      7.962332 
1 1 1 10  20 26 o 81.39350 3.371436 326.6993       26.80215 472.5000       59.33408 289.3224       30.04180 97.07533 6.278043 76.46126 4.028219 20.61407       7.459248 
1 1 1 10  20 27 o 128.2767 3.893013 813.1610       48.82441 797.9000       84.73483 820.7462       59.73816 125.7733 6.909375 128.5707 4.755022 -2.797348      8.387473 
1 1 1 10  20 28 o 120.0728 3.361527 711.2705       39.46935 775.4000       80.01509 690.6490       45.37364 123.9795 6.617472 118.1459 3.929011 5.833565       7.695977 
1 1 1 10  20 29 o 134.7255 4.021679 898.9825       52.97575 940.0546       64.18343 811.2000       93.83266 137.4383 4.778263 126.0343 7.641958 11.40400       9.012841 
1 1 1 10  20 30 f 61.94384 4.330945 191.2905       26.09409 197.1119       30.35247 174.8000       51.08524 62.69967 4.986693 57.29389 9.437526 5.405781       10.67399 
1 1 1 10  20 31 o 75.04271 3.467014 278.8080       25.39774 309.0409       34.68699 243.8677       37.28974 78.70554 4.521542 69.55110 5.522774 9.154442       7.137603 
1 1 1 10  20 32 o 45.62970 4.497899 104.5678       19.82830 92.93728       25.84200 121.2171       30.91889 42.42548 6.423692 48.46387 6.696544 -6.038383      9.279413 
1 1 1 10  20 33 o 20.14010 7.137871 18.50556       17.61402 0.5938938      23.44924 41.69779       26.68284 17.63457 7.569596 28.13881 8.756609 -10.50423      11.57484 
1 1 1 10  20 34 o 67.50455 3.563366 226.3416       23.46166 234.0380       31.13889 216.2350       35.68299 68.28487 4.687211 65.25920 5.641505 3.025665       7.334612 
1 1 1 10  20 35 o 14.73933 6.412582 -1.717354      17.28365 -21.80871      23.45601 22.15039       25.56555 14.20848 6.666346 22.72083 8.513430 -8.512358      10.81289 
1 1 1 10  20 36 o 43.49488 5.659482 97.49104       23.52382 39.03000       37.23595 136.3205       30.34659 28.14232 10.32421 51.32123 6.164198 -23.17891      12.02442 
1 1 1 10  20 37 o 52.84523 3.949017 140.1943       20.27913 120.9797       26.03520 169.8351       32.33623 48.45449 5.591804 57.38365 5.838190 -8.929153      8.084104 
1 1 1 10  20 38 o 32.33744 5.977056 55.27697       18.22233 29.51245       23.16246 97.12263       29.51881 23.94555 8.204130 42.43083 7.374951 -18.48528      11.03167 
1 1 1 10  20 39 o 19.55861 7.051831 17.83483       17.26787 12.60680       22.32761 25.61593       27.23918 19.40734 7.762468 23.45739 8.788033 -4.050049      11.72542 
1 1 1 10  20 40 o 45.02626 4.968685 104.2471       21.53472 96.43449       26.07694 121.0000       38.18605 42.60122 6.455613 46.43662 8.721302 -3.835400      10.85063 
1 1 1 10  20 41 o 37.40836 5.270893 72.86137       18.76570 61.27540       23.53388 93.09035       31.09669 33.33006 7.405879 40.91346 8.051856 -7.583401      10.93981 
1 1 1 10  20 42 o 34.03168 6.505701 62.51011       20.88158 57.29274       22.30270 99.58000       59.44874 32.21543 7.248537 38.75967 13.14624 -6.544239      15.01216 
1 1 1 10  20 43 o 25.96789 6.670381 37.01119       17.04332 24.16037       21.18707 60.57453       28.68956 21.90840 7.821771 32.32640 8.822454 -10.41800      11.79050 
1 1 1 10  20 44 o 17.18322 6.709092 11.17093       16.31559 10.22608       20.66772 12.73358       26.57918 18.19053 7.399450 20.23799 8.329841 -2.047462      11.14173 
1 1 1 10  20 45 o 43.18540 4.413881 95.82778       18.39582 84.11697       23.13054 115.9839       30.34559 39.55897 6.175238 46.06527 6.945736 -6.506294      9.293913 
1 1 1 10  20 46 o 14.89100 6.320033 2.922589       16.01992 7.585653       20.41333 -4.553822      25.84786 17.41250 7.245505 16.92283 7.577563 0.4896774      10.48412 
1 1 1 10  20 47 o 39.72304 5.080990 82.74268       19.30419 75.09036       22.80281 102.1000       36.26726 37.04368 6.527181 41.36914 9.194770 -4.325455      11.27599 
1 1 1 10  20 48 o 13.76303 6.221860 -6.383167      17.90260 -12.91104      19.20349 36.96000       49.48282 13.27914 6.163993 27.26827 11.30803 -13.98913      12.87891 
1 1 1 10  20 49 f 13.15347 5.911845 -4.982338      15.89566 -8.716866      20.00928 1.406394       26.17104 14.20973 6.483957 17.85868 7.827651 -3.648940      10.16434 
1 1 1 10  20 50 o 16.24561 6.697274 7.122347       17.21783 13.76811       20.52605 -8.656000      31.62740 18.76933 7.464072 17.94140 8.173286 0.8279285      11.06865 
1 1 1 10  20 51 o 20.91132 8.473590 17.54247       26.98279 0.000000       0.000000 17.54247       26.98279 ?        ?        20.91132 8.473590 ?              ?        
1 1 1 10  20 52 o 27.66924 11.46804 41.20000       50.85434 0.000000       0.000000 41.20000       50.85434 ?        ?        27.66924 11.46804 ?              ?        
1 1 1 10  20 53 o 29.14775 8.895792 51.88867       27.69952 0.000000       0.000000 51.88867       27.69952 ?        ?        29.14775 8.895792 ?              ?        
1 1 1 10  20 54 o 23.55660 8.777987 30.95011       27.10359 0.000000       0.000000 30.95011       27.10359 ?        ?        23.55660 8.777987 ?              ?        
1 1 1 10  20 55 o 24.99787 9.550611 36.78000       32.54251 0.000000       0.000000 36.78000       32.54251 ?        ?        24.99787 9.550611 ?              ?        
1 1 1 10  21 0  o 337.5026 6.535491 5607.641       215.9044 6125.000       461.2582 5462.486       244.3221 349.1497 13.52222 332.7971 7.500271 16.35260       15.46301 
1 1 1 10  21 1  o 59.25406 4.605785 173.3698       26.50368 267.8000       61.29021 151.6504       29.39406 73.08395 8.740803 55.27957 5.505482 17.80439       10.33015 
1 1 1 10  21 2  o 119.8607 3.397685 704.8135       39.82243 748.2000       89.65372 694.1495       44.44778 122.9425 7.485542 118.9116 3.823709 4.030930       8.405599 
1 1 1 10  21 3  o 150.5231 3.655205 1110.960       53.85438 1017.000       111.0695 1139.840       61.57703 143.3022 7.949521 152.3716 4.132468 -9.069443      8.959474 
1 1 1 10  21 4  o 241.2296 7.000604 2870.262       165.1250 2619.000       224.5706 3166.000       243.6368 229.4805 10.02189 252.4039 9.880532 -22.92346      14.07349 
1 1 1 10  21 5  o 167.8324 5.424980 1385.876       89.00391 1527.000       139.0814 1288.000       115.8266 175.6186 8.112731 161.4313 7.349454 14.18735       10.94673 
1 1 1 10  21 6  o 159.5856 4.316856 1250.772       67.37031 1051.000       115.3395 1354.227       83.00122 145.6108 8.124632 165.9441 5.116058 -20.33328      9.601234 
1 1 1 10  21 7  o 244.8728 5.723238 2949.331       137.1793 2994.000       243.6868 2928.608       165.9757 245.2051 10.17515 243.6219 6.967359 1.583206       12.33198 
1 1 1 10  21 8  o 185.9081 4.085587 1695.891       74.34624 1593.000       147.5673 1730.891       86.06751 179.2341 8.434961 187.7405 4.683548 -8.506363      9.648015 
1 1 1 10  21 9  o 25.62874 8.688517 30.20889       25.96729 66.44000       55.04213 19.83643       29.45068 37.51817 12.64997 23.87924 9.094703 13.63893       15.57996 
1 1 1 10  21 10 o 18.34325 8.569364 -36.50115      38.06707 -66.55000      51.50105 -0.3128000     56.51797 19.95682 9.513927 27.57823 11.79294 -7.621408      15.15217 
1 1 1 10  21 11 f 204.5230 5.036598 2056.155       100.8290 1962.000       172.4996 2105.019       124.2684 198.6812 8.892568 206.6284 6.151037 -7.947205      10.81263 
1 1 1 10  21 12 o 100.9098 3.201092 499.7870       31.57823 469.1000       72.10577 507.0693       35.12585 97.09662 7.648536 101.6111 3.537057 -4.514503      8.426795 
1 1 1 10  21 13 o 41.59894 4.318284 85.89632       17.32775 34.98000       52.19585 92.20271       18.36952 31.53177 12.08341 43.10139 4.416511 -11.56962      12.86524 
1 1 1 10  21 14 o 104.1610 3.583903 532.9913       36.48551 0.000000       0.000000 532.9913       36.48551 ?        ?        104.1610 3.583903 ?              ?        
1 1 1 10  21 15 o 41.03653 4.336000 83.66135       17.15364 0.000000       0.000000 83.66135       17.15364 ?        ?        41.03653 4.336000 ?              ?        
1 1 1 10  21 16 o 90.17562 3.442825 399.6453       30.33275 0.000000       0.000000 399.6453       30.33275 ?        ?        90.17562 3.442825 ?              ?        
1 1 1 10  21 17 o 35.54538 4.351114 63.04752       14.82345 -1.056000      43.06664 71.66266       15.78815 23.91028 10.26082 37.93278 4.329608 -14.02250      11.13687 
1 1 1 10  21 18 o 100.7615 3.578200 499.2854       35.23508 0.000000       0.000000 499.2854       35.23508 ?        ?        100.7615 3.578200 ?              ?        
1 1 1 10  21 19 o 46.99473 5.387198 110.4219       24.33351 91.02000       44.55760 118.6675       29.04762 41.62707 10.83282 48.56950 6.255061 -6.942432      12.50903 
1 1 1 10  21 20 o 82.29722 3.981071 334.0044       31.97430 308.0000       54.91489 347.3421       39.32838 78.32536 7.244859 83.78305 4.815899 -5.457695      8.699475 
1 1 1 10  21 21 o 55.42007 6.075666 154.1223       32.41884 0.000000       0.000000 154.1223       32.41884 ?        ?        55.42007 6.075666 ?              ?        
1 1 1 10  21 22 o 66.73907 4.336458 220.5823       28.17497 195.0000       49.16366 233.0931       34.38087 61.73201 8.350227 68.44780 5.169799 -6.715786      9.821054 
1 1 1 10  21 23 o 14.78622 6.725842 -12.52027      21.31647 13.92000       40.59333 -22.58728      25.04795 25.21787 10.32747 14.97250 6.980258 10.24537       12.46517 
1 1 1 10  21 24 o 128.7939 3.433480 817.1563       43.24627 843.4000       88.60493 808.9493       49.54894 129.5246 7.014926 128.0078 3.959263 1.516861       8.055120 
1 1 1 10  21 25 o 66.60619 4.638730 220.7003       30.05366 0.000000       0.000000 220.7003       30.05366 ?        ?        66.60619 4.638730 ?              ?        
1 1 1 10  21 26 o 63.19515 4.160832 198.3362       25.59453 199.1000       51.16821 198.0813       29.55803 61.86120 8.689607 62.99621 4.830371 -1.135010      9.941919 
1 1 1 10  21 27 o 133.5544 4.051725 883.1510       52.90562 0.000000       0.000000 883.1510       52.90562 ?        ?        133.5544 4.051725 ?              ?        
1 1 1 10  21 28 o 123.4618 4.948863 760.0199       59.68476 0.000000       0.000000 760.0199       59.68476 ?        ?        123.4618 4.948863 ?              ?        
1 1 1 10  21 29 o 133.4150 3.483584 879.7216       45.45330 931.7944       64.08799 827.0178       64.47511 136.7162 4.796492 128.6204 5.131551 8.095825       7.024183 
1 1 1 10  21 30 o 34.35027 5.681389 60.68807       18.43533 60.84518       24.79233 60.49376       27.57157 33.84573 7.662489 33.57941 8.408106 0.2663116      11.37585 
1 1 1 10  21 31 o 65.59475 3.562906 213.4477       22.79010 195.1365       30.19562 237.6855       34.74026 62.30243 4.993225 68.72222 5.203178 -6.419796      7.211474 
1 1 1 10  21 32 o 71.59290 3.434000 254.1126       23.99431 257.0811       31.95735 250.2769       36.32730 71.65588 4.580285 70.42661 5.308840 1.229279       7.011619 
1 1 1 10  21 33 o 55.48995 3.865088 153.5864       20.86203 149.2452       27.41246 159.5612       32.15959 54.27746 5.224127 55.85487 5.974960 -1.577415      7.936728 
1 1 1 10  21 34 o 27.48765 6.570537 40.13801       17.43784 65.92719       23.59445 9.095589       25.88623 35.21425 7.090744 19.93631 8.214634 15.27794       10.85168 
1 1 1 10  21 35 o 39.47992 7.716322 83.94756       28.74962 0.000000       0.000000 83.94756       28.74962 ?        ?        39.47992 7.716322 ?              ?        
1 1 1 10  21 36 o 33.70476 5.642302 59.27516       17.95722 37.75008       22.89787 93.66195       28.94134 26.44658 8.091328 41.80053 7.341158 -15.35394      10.92530 
1 1 1 10  21 37 o 16.66063 6.701928 8.075499       16.74287 4.074374       21.07504 14.92154       27.56748 17.21692 7.275372 21.25798 8.582582 -4.041063      11.25130 
1 1 1 10  21 38 o 40.80240 4.601882 85.06647       18.05899 70.93414       22.97157 107.9321       29.21967 36.37153 6.699196 44.97212 6.854192 -8.600590      9.584319 
1 1 1 10  21 39 o 30.73639 6.118813 50.49966       17.76143 46.00663       21.16148 61.21000       32.67220 28.85546 7.443374 32.48686 9.604801 -3.631403      12.15138 
1 1 1 10  21 40 o 20.04347 6.764677 20.38764       15.74020 4.605652       18.80211 57.35669       28.77697 16.44925 6.906853 31.61283 8.915995 -15.16359      11.27828 
1 1 1 10  21 41 o 44.73843 13.05356 132.8000       60.68737 0.000000       0.000000 132.8000       60.68737 ?        ?        44.73843 13.05356 ?              ?        
1 1 1 10  21 42 o 20.18258 8.443549 10.40830       27.94291 0.000000       0.000000 10.40830       27.94291 ?        ?        20.18258 8.443549 ?              ?        
1 1 1 10  21 43 o 18.27401 7.959147 1.676317       26.68753 0.000000       0.000000 1.676317       26.68753 ?        ?        18.27401 7.959147 ?              ?        
1 1 1 10  21 44 o 29.83209 9.066325 52.45034       28.81222 0.000000       0.000000 52.45034       28.81222 ?        ?        29.83209 9.066325 ?              ?        
1 1 1 10  21 45 o 28.27779 9.084999 47.10419       28.51612 0.000000       0.000000 47.10419       28.51612 ?        ?        28.27779 9.084999 ?              ?        
1 1 1 10  21 46 o 27.60924 9.067575 44.87210       28.32041 0.000000       0.000000 44.87210       28.32041 ?        ?        27.60924 9.067575 ?              ?        
1 1 1 10  21 47 o 22.22149 8.634067 23.18047       26.91695 0.000000       0.000000 23.18047       26.91695 ?        ?        22.22149 8.634067 ?              ?        
1 1 1 10  21 48 o 20.31034 8.746491 8.377000       31.50089 0.000000       0.000000 8.377000       31.50089 ?        ?        20.31034 8.746491 ?              ?        
1 1 1 10  21 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  21 50 o 17.93368 7.895345 0.8711272      26.89526 0.000000       0.000000 0.8711272      26.89526 ?        ?        17.93368 7.895345 ?              ?        
1 1 1 10  21 51 o 23.16204 10.45865 4.408000       50.41257 0.000000       0.000000 4.408000       50.41257 ?        ?        23.16204 10.45865 ?              ?        
1 1 1 10  21 52 o 20.19470 8.322344 14.93120       26.57478 0.000000       0.000000 14.93120       26.57478 ?        ?        20.19470 8.322344 ?              ?        
1 1 1 10  21 53 f 21.42298 8.394246 22.19298       25.61617 0.000000       0.000000 22.19298       25.61617 ?        ?        21.42298 8.394246 ?              ?        
1 1 1 10  21 54 o 15.67654 7.346170 -17.44000      28.33642 0.000000       0.000000 -17.44000      28.33642 ?        ?        15.67654 7.346170 ?              ?        
1 1 1 10  22 0  o 165.2281 4.375708 1341.069       70.70597 1439.000       135.4424 1304.383       82.89845 170.3968 8.144156 162.8251 5.208081 7.571655       9.667027 
1 1 1 10  22 1  f 53.88950 3.990838 143.2608       20.90170 169.1000       61.79471 139.9226       22.21084 57.23068 11.43135 53.22008 4.300259 4.010601       12.21344 
1 1 1 10  22 2  f 178.1508 3.965992 1557.153       69.15852 1607.000       148.1498 1543.263       78.20220 180.0044 8.431800 177.2330 4.511505 2.771439       9.562893 
1 1 1 10  22 3  o 236.1529 4.842138 2739.554       111.9275 2658.000       224.1036 2766.658       129.1949 231.0351 9.933001 237.1769 5.565023 -6.141785      11.38569 
1 1 1 10  22 4  o 198.5145 4.265938 1934.311       82.89207 1840.000       166.9024 1965.191       95.50320 192.4858 8.882391 200.0032 4.878369 -7.517426      10.13387 
1 1 1 10  22 5  o 152.8025 5.257052 1149.199       78.51120 1036.000       113.5168 1253.000       108.7028 144.5130 8.056939 159.2234 6.991777 -14.71048      10.66767 
1 1 1 10  22 6  o 130.2498 5.077524 835.1072       64.61038 773.5000       95.50365 887.1000       87.73557 124.8367 7.855594 133.9655 6.712155 -9.128860      10.33264 
1 1 1 10  22 7  o 118.3083 3.981885 687.6725       46.04588 570.5000       83.85662 738.2521       55.09494 107.0747 8.060170 122.5091 4.602674 -15.43436      9.281754 
1 1 1 10  22 8  o 119.0695 3.356986 695.8215       39.08614 618.5000       84.58990 716.8115       44.07323 111.5470 7.796460 120.8139 3.731406 -9.266998      8.643389 
1 1 1 10  22 9  o 106.8868 3.772986 561.3163       39.41248 548.5000       76.12990 566.0090       46.06619 105.0682 7.450822 107.2592 4.397069 -2.190979      8.651530 
1 1 1 10  22 10 o 121.2842 3.853513 722.7025       45.68943 723.3000       85.93181 722.4670       53.94670 120.7352 7.305515 121.1717 4.556505 -0.4365005     8.610011 
1 1 1 10  22 11 o 50.99886 3.965029 128.4576       19.63766 12.80000       51.79998 147.8700       21.22179 28.08704 11.60138 54.73555 3.988383 -26.64850      12.26782 
1 1 1 10  22 12 o 63.31738 3.484868 197.3067       21.51481 85.16000       53.87112 218.5887       23.46761 40.85815 12.39297 66.64154 3.611130 -25.78339      12.90837 
1 1 1 10  22 13 o 59.96951 3.462009 177.0685       20.23555 201.2000       53.82747 173.0968       21.83740 62.94818 8.991200 59.25592 3.784767 3.692257       9.755314 
1 1 1 10  22 14 f 169.0439 4.385980 1405.963       72.51125 0.000000       0.000000 1405.963       72.51125 ?        ?        169.0439 4.385980 ?              ?        
1 1 1 10  22 15 o 31.65138 5.177905 50.63146       15.48763 0.000000       0.000000 50.63146       15.48763 ?        ?        31.65138 5.177905 ?              ?        
1 1 1 10  22 16 o 62.01558 3.583229 189.5311       21.65850 0.000000       0.000000 189.5311       21.65850 ?        ?        62.01558 3.583229 ?              ?        
1 1 1 10  22 17 o 43.22903 3.898159 92.61713       16.31756 62.93000       50.17635 96.12809       17.25550 35.95277 12.07767 44.02594 4.049507 -8.073162      12.73847 
1 1 1 10  22 18 f 69.61508 3.253323 238.5380       22.10720 147.6000       50.85967 259.7223       24.54748 53.20198 10.13651 72.62033 3.463347 -19.41835      10.71185 
1 1 1 10  22 19 o 60.47572 4.653299 181.4531       27.33369 121.0000       48.37439 209.8071       33.12931 47.87605 10.60250 64.94048 5.256736 -17.06443      11.83411 
1 1 1 10  22 20 o 148.3481 4.240683 1085.776       61.51460 977.4000       101.1821 1149.321       77.47742 139.5796 7.432657 152.3239 5.204021 -12.74431      9.073380 
1 1 1 10  22 21 o 44.79964 5.610345 101.0720       24.06402 160.9000       45.38596 77.67603       28.38182 55.85722 8.574650 38.68035 7.766310 17.17687       11.56893 
1 1 1 10  22 22 o 96.69819 3.964483 461.8704       37.44460 545.9000       68.00467 425.3098       44.85686 104.2845 6.697532 92.54001 4.970380 11.74450       8.340361 
1 1 1 10  22 23 o 95.54737 3.601958 450.4601       33.62678 500.9000       66.58805 433.1935       38.95952 99.72588 6.863390 93.54205 4.266240 6.183838       8.081270 
1 1 1 10  22 24 o 48.88456 4.549121 119.3335       21.51752 174.8000       48.64832 105.8431       23.99197 57.89137 8.867106 45.80596 5.458287 12.08540       10.41242 
1 1 1 10  22 25 o 128.7013 3.914882 819.3243       49.26093 758.1000       85.33108 849.9271       60.32902 122.2860 7.160258 130.7731 4.720792 -8.487099      8.576431 
1 1 1 10  22 26 o 72.16071 3.531259 257.5945       24.86657 208.9000       51.08947 272.7116       28.46595 63.34624 8.450144 74.15839 3.935656 -10.81215      9.321712 
1 1 1 10  22 27 o 89.67431 3.940188 398.7143       34.50084 332.5000       57.71678 435.5282       43.03598 80.54692 7.403356 93.47208 4.719009 -12.92516      8.779449 
1 1 1 10  22 28 f 55.05476 4.165647 151.1644       22.28173 143.4000       45.24155 153.6509       25.60209 51.79065 9.264558 55.34893 4.772192 -3.558281      10.42141 
1 1 1 10  22 29 o 29.12859 6.389578 44.48283       17.71575 42.42354       22.95271 47.51743       27.86282 28.28576 7.957575 29.88843 8.878175 -1.602665      11.92246 
1 1 1 10  22 30 o 77.56633 3.324548 297.7947       25.18278 315.1846       33.77513 276.0251       37.78971 79.48760 4.357687 74.05212 5.247495 5.435478       6.820970 
1 1 1 10  22 31 f 18.50624 6.858849 14.13661       16.50569 2.743067       21.20236 31.66341       26.29699 17.23404 7.290670 25.35007 8.739603 -8.116039      11.38132 
1 1 1 10  22 32 o 103.6843 3.803218 534.3207       38.53311 616.8000       63.34535 485.8741       48.54836 110.2523 5.891158 98.28379 5.063525 11.96849       7.768206 
1 1 1 10  22 33 o 43.00582 7.201993 97.75184       29.24599 0.000000       0.000000 97.75184       29.24599 ?        ?        43.00582 7.201993 ?              ?        
1 1 1 10  22 34 o 42.57158 7.263701 96.43455       29.18279 0.000000       0.000000 96.43455       29.18279 ?        ?        42.57158 7.263701 ?              ?        
1 1 1 10  22 35 o 41.78835 7.496379 94.00110       29.53631 0.000000       0.000000 94.00110       29.53631 ?        ?        41.78835 7.496379 ?              ?        
1 1 1 10  22 36 f 47.86901 6.801221 121.6012       30.97166 0.000000       0.000000 121.6012       30.97166 ?        ?        47.86901 6.801221 ?              ?        
1 1 1 10  22 37 f 62.03574 5.683850 199.1156       34.13047 0.000000       0.000000 199.1156       34.13047 ?        ?        62.03574 5.683850 ?              ?        
1 1 1 10  22 38 o 55.03488 7.459842 163.8000       39.15221 0.000000       0.000000 163.8000       39.15221 ?        ?        55.03488 7.459842 ?              ?        
1 1 1 10  22 39 o 15.77171 7.266823 -14.77239      25.96986 0.000000       0.000000 -14.77239      25.96986 ?        ?        15.77171 7.266823 ?              ?        
1 1 1 10  22 40 o 30.90289 12.51070 49.99000       58.75646 0.000000       0.000000 49.99000       58.75646 ?        ?        30.90289 12.51070 ?              ?        
1 1 1 10  22 41 f 47.22299 7.319041 121.9676       32.73691 0.000000       0.000000 121.9676       32.73691 ?        ?        47.22299 7.319041 ?              ?        
1 1 1 10  22 42 o 22.32020 8.643825 22.50381       26.91000 0.000000       0.000000 22.50381       26.91000 ?        ?        22.32020 8.643825 ?              ?        
1 1 1 10  22 43 o 15.25654 7.070779 -15.32743      25.11935 0.000000       0.000000 -15.32743      25.11935 ?        ?        15.25654 7.070779 ?              ?        
1 1 1 10  22 44 o 20.35090 8.385728 13.84703       26.97691 0.000000       0.000000 13.84703       26.97691 ?        ?        20.35090 8.385728 ?              ?        
1 1 1 10  22 45 o 26.76607 9.010276 41.72246       27.92525 0.000000       0.000000 41.72246       27.92525 ?        ?        26.76607 9.010276 ?              ?        
1 1 1 10  22 46 o 16.47454 7.465876 -7.604886      25.96584 0.000000       0.000000 -7.604886      25.96584 ?        ?        16.47454 7.465876 ?              ?        
1 1 1 10  22 47 o 17.70541 7.771350 1.012133       25.87734 0.000000       0.000000 1.012133       25.87734 ?        ?        17.70541 7.771350 ?              ?        
1 1 1 10  22 48 o 41.02568 9.536414 102.9000       37.56612 0.000000       0.000000 102.9000       37.56612 ?        ?        41.02568 9.536414 ?              ?        
1 1 1 10  22 49 o 39.57416 9.617249 96.48000       36.88341 0.000000       0.000000 96.48000       36.88341 ?        ?        39.57416 9.617249 ?              ?        
1 1 1 10  22 50 o 22.45375 10.24848 -1.875000      50.03183 0.000000       0.000000 -1.875000      50.03183 ?        ?        22.45375 10.24848 ?              ?        
1 1 1 10  22 51 o 43.94893 7.427550 109.6204       30.81477 0.000000       0.000000 109.6204       30.81477 ?        ?        43.94893 7.427550 ?              ?        
1 1 1 10  22 52 o 24.75858 8.876576 35.59890       27.31665 0.000000       0.000000 35.59890       27.31665 ?        ?        24.75858 8.876576 ?              ?        
1 1 1 10  22 53 o 17.02461 7.528386 0.7636799      24.71114 0.000000       0.000000 0.7636799      24.71114 ?        ?        17.02461 7.528386 ?              ?        
1 1 1 10  23 0  o 152.8479 3.615585 1146.133       54.09340 1288.000       122.3288 1111.650       60.31031 161.1531 7.777998 150.4244 4.099891 10.72878       8.792403 
1 1 1 10  23 1  o 156.7681 3.662522 1205.765       56.20099 1314.000       124.3370 1177.973       63.00452 162.7578 7.827577 154.8402 4.160789 7.917587       8.864712 
1 1 1 10  23 2  o 64.41512 3.492156 204.1258       21.93616 264.9000       59.71649 194.6459       23.58505 72.59570 8.568753 62.86108 3.851578 9.734627       9.394583 
1 1 1 10  23 3  o 207.1525 6.235613 2117.357       126.2934 2108.000       182.2619 2126.000       175.1614 205.7659 9.071622 206.7949 8.672764 -1.028992      12.55035 
1 1 1 10  23 4  o 175.2868 4.506097 1510.530       77.24952 1540.000       141.5993 1498.042       92.17460 176.0708 8.238984 174.3882 5.406457 1.682510       9.854473 
1 1 1 10  23 5  o 85.42506 3.245000 358.3869       27.08419 404.3000       67.12193 349.4575       29.60097 90.06030 7.687644 84.31915 3.594771 5.741158       8.486591 
1 1 1 10  23 6  o 138.4158 3.482247 940.5078       47.14182 963.1000       103.1196 934.5387       53.00490 139.2875 7.592208 137.9184 3.930345 1.369064       8.549224 
1 1 1 10  23 7  o 95.54493 5.169988 450.5046       48.17066 555.4000       74.71917 375.9000       63.01393 105.7194 7.264727 86.83314 7.486914 18.88625       10.43217 
1 1 1 10  23 8  o 157.6034 5.183184 1223.836       79.85045 1320.000       123.6261 1155.000       104.5957 163.0153 7.770120 152.6742 7.017870 10.34113       10.47021 
1 1 1 10  23 9  o 209.8185 4.426844 2163.866       90.91680 2219.000       187.1881 2146.844       104.0087 210.8398 9.091620 208.8479 5.087839 1.991882       10.41843 
1 1 1 10  23 10 o 99.46970 3.259921 485.9391       31.69693 379.2000       70.44530 513.0347       35.49276 86.93954 8.381842 102.1749 3.554275 -15.23540      9.104293 
1 1 1 10  23 11 o 174.0306 3.891777 1487.721       66.29485 1592.000       142.1440 1458.733       74.94518 178.7466 8.145681 172.1731 4.450784 6.573547       9.282328 
1 1 1 10  23 12 o 104.5904 3.196539 537.2918       32.68647 505.8000       73.93404 544.9424       36.44122 100.6468 7.560036 105.2907 3.540910 -4.643852      8.348185 
1 1 1 10  23 13 o 63.20758 3.348804 196.6820       20.64489 242.7000       57.76919 189.9445       22.10460 69.18493 8.724162 62.07731 3.654000 7.107620       9.458473 
1 1 1 10  23 14 o 50.45707 3.755940 125.8018       18.41707 53.39000       52.14632 136.1215       19.68571 34.42495 12.27317 52.48335 3.858963 -18.05840      12.86555 
1 1 1 10  23 15 o 11.96136 5.324488 -4.819039      12.56578 0.000000       0.000000 -4.819039      12.56578 ?        ?        11.96136 5.324488 ?              ?        
1 1 1 10  23 16 o 136.1749 3.887860 913.0054       51.76891 0.000000       0.000000 913.0054       51.76891 ?        ?        136.1749 3.887860 ?              ?        
1 1 1 10  23 17 o 101.4491 3.532570 506.6487       35.02531 0.000000       0.000000 506.6487       35.02531 ?        ?        101.4491 3.532570 ?              ?        
1 1 1 10  23 18 o 61.62085 3.386337 187.2607       20.34657 121.4000       51.00020 199.7275       22.18887 47.72530 11.12379 63.61751 3.577715 -15.89220      11.68498 
1 1 1 10  23 19 o 53.01709 3.689773 139.0476       19.02844 32.84000       48.40387 158.4613       20.69460 29.96017 11.59546 56.60336 3.756407 -26.64319      12.18873 
1 1 1 10  23 20 o 115.7397 4.026602 661.4938       45.54757 609.3000       77.79422 688.7180       56.18431 109.9679 7.268042 117.8559 4.880886 -7.887985      8.754854 
1 1 1 10  23 21 o 90.02764 4.088500 400.8876       35.93446 335.5000       61.23618 435.2301       44.37891 81.19418 7.800952 93.61243 4.859891 -12.41824      9.190941 
1 1 1 10  23 22 o 85.68153 3.332581 362.0830       27.89621 269.7000       59.16694 388.4894       31.63283 72.33101 8.520229 88.68787 3.651721 -16.35686      9.269810 
1 1 1 10  23 23 o 58.31396 4.056423 168.9072       23.00944 148.5000       51.47366 174.0033       25.72247 52.59032 10.36807 59.09719 4.480094 -6.506866      11.29461 
1 1 1 10  23 24 o 182.2023 4.085697 1642.797       72.86623 1540.000       141.1227 1680.164       85.08552 173.2417 8.346758 183.8606 4.731751 -10.61885      9.594678 
1 1 1 10  23 25 o 83.29198 4.153995 344.4962       33.76001 288.0000       57.14622 374.7842       41.84209 74.70277 7.936602 86.62566 4.955372 -11.92289      9.356567 
1 1 1 10  23 26 o 45.73926 5.432270 106.0294       23.84628 158.4000       46.50172 87.34388       27.77650 54.65179 9.006215 40.91707 7.198018 13.73473       11.52924 
1 1 1 10  23 27 o 117.4901 4.015322 685.0680       46.10936 620.2000       75.95694 722.9213       58.02351 110.1816 7.080386 120.2722 4.939212 -10.09055      8.632941 
1 1 1 10  23 28 o 99.76221 3.986321 494.3936       38.84806 491.9000       65.11205 495.7719       48.40798 98.13071 6.821220 99.48856 4.986828 -1.357841      8.449704 
1 1 1 10  23 29 o 40.31762 4.696186 82.13267       18.18649 75.77785       23.12373 92.43793       29.44665 38.19614 6.411872 41.89902 7.453195 -3.702888      9.831695 
1 1 1 10  23 30 o 50.98306 6.452529 134.0807       31.48040 0.000000       0.000000 134.0807       31.48040 ?        ?        50.98306 6.452529 ?              ?        
1 1 1 10  23 31 o 22.25462 8.572322 19.23100       26.36330 0.000000       0.000000 19.23100       26.36330 ?        ?        22.25462 8.572322 ?              ?        
1 1 1 10  23 32 o 43.39139 7.157248 99.52550       29.33983 0.000000       0.000000 99.52550       29.33983 ?        ?        43.39139 7.157248 ?              ?        
1 1 1 10  23 33 o 66.93040 5.539356 228.8841       35.96546 0.000000       0.000000 228.8841       35.96546 ?        ?        66.93040 5.539356 ?              ?        
1 1 1 10  23 34 o 47.77433 6.615904 120.1240       30.10847 0.000000       0.000000 120.1240       30.10847 ?        ?        47.77433 6.615904 ?              ?        
1 1 1 10  23 35 o 30.91269 8.880722 53.87952       28.28970 0.000000       0.000000 53.87952       28.28970 ?        ?        30.91269 8.880722 ?              ?        
1 1 1 10  23 36 o 31.75005 8.853115 57.23304       28.54387 0.000000       0.000000 57.23304       28.54387 ?        ?        31.75005 8.853115 ?              ?        
1 1 1 10  23 37 o 25.60925 9.375392 33.52000       30.68145 0.000000       0.000000 33.52000       30.68145 ?        ?        25.60925 9.375392 ?              ?        
1 1 1 10  23 38 o 49.67610 6.790585 132.1615       32.15534 0.000000       0.000000 132.1615       32.15534 ?        ?        49.67610 6.790585 ?              ?        
1 1 1 10  23 39 f 59.63948 11.81746 220.6000       66.54693 0.000000       0.000000 220.6000       66.54693 ?        ?        59.63948 11.81746 ?              ?        
1 1 1 10  23 40 o 63.02723 6.088212 209.5106       37.09288 0.000000       0.000000 209.5106       37.09288 ?        ?        63.02723 6.088212 ?              ?        
1 1 1 10  23 41 o 24.86904 8.832253 33.30989       26.98128 0.000000       0.000000 33.30989       26.98128 ?        ?        24.86904 8.832253 ?              ?        
1 1 1 10  23 42 o 73.28922 5.392679 279.9354       38.41484 0.000000       0.000000 279.9354       38.41484 ?        ?        73.28922 5.392679 ?              ?        
1 1 1 10  23 43 o 42.63434 7.727517 102.6618       31.06110 0.000000       0.000000 102.6618       31.06110 ?        ?        42.63434 7.727517 ?              ?        
1 1 1 10  23 44 o 35.65844 8.564150 74.94157       29.51538 0.000000       0.000000 74.94157       29.51538 ?        ?        35.65844 8.564150 ?              ?        
1 1 1 10  23 45 o 54.79800 6.386199 162.1574       33.61292 0.000000       0.000000 162.1574       33.61292 ?        ?        54.79800 6.386199 ?              ?        
1 1 1 10  23 46 f 29.30646 8.929569 51.57726       27.92539 0.000000       0.000000 51.57726       27.92539 ?        ?        29.30646 8.929569 ?              ?        
1 1 1 10  23 47 f 43.08655 9.138354 111.5000       37.34414 0.000000       0.000000 111.5000       37.34414 ?        ?        43.08655 9.138354 ?              ?        
1 1 1 10  23 48 o 27.74690 9.015681 46.04710       28.03299 0.000000       0.000000 46.04710       28.03299 ?        ?        27.74690 9.015681 ?              ?        
1 1 1 10  23 49 o 28.74121 11.74061 49.06000       52.29775 0.000000       0.000000 49.06000       52.29775 ?        ?        28.74121 11.74061 ?              ?        
1 1 1 10  23 50 o 20.61059 8.785645 11.76000       31.19159 0.000000       0.000000 11.76000       31.19159 ?        ?        20.61059 8.785645 ?              ?        
1 1 1 10  23 51 o 16.30567 7.454693 -8.763955      26.61535 0.000000       0.000000 -8.763955      26.61535 ?        ?        16.30567 7.454693 ?              ?        
1 1 1 10  23 52 o 17.79559 7.743763 4.509038       25.21451 0.000000       0.000000 4.509038       25.21451 ?        ?        17.79559 7.743763 ?              ?        
1 1 1 10  23 53 o 21.88932 8.888276 22.88000       29.75950 0.000000       0.000000 22.88000       29.75950 ?        ?        21.88932 8.888276 ?              ?        
1 1 1 10  24 0  o 360.2772 8.070837 6442.461       284.6175 7278.000       539.7162 6120.593       334.9819 376.6816 14.66613 349.8852 9.790769 26.79639       17.63390 
1 1 1 10  24 1  o 142.8105 3.523108 1000.855       49.24842 1040.000       108.2991 990.6496       55.29667 144.6509 7.676355 141.9720 3.983083 2.678894       8.648201 
1 1 1 10  24 2  o 58.54783 4.208698 169.2761       23.95838 181.3000       56.59520 166.6509       26.44482 59.43386 10.08870 58.02576 4.696101 1.408108       11.12813 
1 1 1 10  24 3  o 132.8911 3.936444 868.0486       51.14782 813.0000       94.45859 890.8848       60.83876 127.8526 7.581936 134.5193 4.627398 -6.666626      8.882486 
1 1 1 10  24 4  o 116.2422 3.316637 663.4974       37.69847 577.3000       80.12760 688.0014       42.72215 107.6323 7.655569 118.3245 3.693212 -10.69222      8.499856 
1 1 1 10  24 5  o 93.31921 3.236517 427.7539       29.51871 372.6000       67.65787 440.7209       32.80570 86.23312 8.110876 94.69080 3.545709 -8.457680      8.852026 
1 1 1 10  24 6  o 89.86408 3.846426 397.3453       33.75546 402.2000       67.71505 395.7401       38.93840 89.68159 7.791166 89.60080 4.453725 0.8079529E-01  8.974293 
1 1 1 10  24 7  o 73.90000 4.009597 269.1235       28.89493 266.5000       60.30364 269.9054       32.92010 72.63861 8.651248 73.93189 4.571436 -1.293282      9.784790 
1 1 1 10  24 8  o 133.3221 3.408278 873.1038       44.44133 961.7000       99.47470 851.0108       49.67434 139.0277 7.335752 131.5551 3.861789 7.472595       8.290155 
1 1 1 10  24 9  f 57.23091 4.889332 162.4926       27.12755 238.8000       58.83712 141.8921       30.57080 68.56117 8.983203 53.26484 5.965926 15.29634       10.78379 
1 1 1 10  24 10 o 59.96357 4.943081 178.3750       28.75548 119.6000       56.31924 199.1000       33.44320 47.55858 12.07758 63.28611 5.451843 -15.72752      13.25106 
1 1 1 10  24 11 o 27.55378 6.081057 39.01247       15.96089 88.98000       51.43910 33.68917       16.78958 41.28053 12.01020 25.59535 6.644123 15.68518       13.72550 
1 1 1 10  24 12 o 74.80826 3.278403 275.3425       23.94761 258.9000       61.20688 278.3145       26.02205 71.31606 8.965802 75.17813 3.546253 -3.862076      9.641656 
1 1 1 10  24 13 o 86.30334 3.213584 366.3064       27.09969 404.0000       67.59283 359.0870       29.58124 89.62400 7.782013 85.40215 3.546397 4.221848       8.551998 
1 1 1 10  24 14 o 113.0227 3.253594 628.1046       35.95698 597.6000       79.57491 635.9310       40.30658 109.1511 7.493501 113.6613 3.627552 -4.510201      8.325364 
1 1 1 10  24 15 o 94.99252 3.179658 443.8646       29.52321 371.2000       66.91321 461.4298       32.89858 85.65263 8.076488 96.80853 3.477470 -11.15590      8.793319 
1 1 1 10  24 16 o 78.20042 3.478336 301.4010       26.55820 0.000000       0.000000 301.4010       26.55820 ?        ?        78.20042 3.478336 ?              ?        
1 1 1 10  24 17 o 137.0774 3.932987 926.7877       52.71634 0.000000       0.000000 926.7877       52.71634 ?        ?        137.0774 3.932987 ?              ?        
1 1 1 10  24 18 o 41.95294 3.943270 87.53877       16.00306 97.57000       48.30575 86.30211       16.96083 42.56854 11.37582 41.60391 4.223384 0.9646301      12.13450 
1 1 1 10  24 19 o 25.50772 5.929270 33.68932       14.52207 14.59000       46.87732 35.71684       15.27344 26.67225 11.02854 26.25516 6.065218 0.4170971      12.58632 
1 1 1 10  24 20 o 33.51085 7.272867 58.64647       23.16963 43.15000       46.60942 63.73266       26.70259 31.21539 11.53369 34.80664 8.004786 -3.591255      14.03932 
1 1 1 10  24 21 o 52.20806 5.203381 136.8774       26.23696 203.5000       51.55326 113.5899       30.47944 62.55904 8.650214 47.06873 6.813542 15.49030       11.01138 
1 1 1 10  24 22 o 32.75990 5.580970 55.00505       17.25517 18.94000       45.39253 61.09673       18.65561 26.76946 10.93697 34.53204 5.719281 -7.762579      12.34211 
1 1 1 10  24 23 f 78.59709 3.349173 305.2386       25.70713 246.7000       55.79288 321.0159       28.96497 68.86761 8.453842 80.52671 3.684506 -11.65910      9.221878 
1 1 1 10  24 24 o 41.27812 5.465486 86.59802       21.54071 111.6000       45.73370 79.47023       24.41893 45.13105 10.54389 39.18706 6.600478 5.943993       12.43945 
1 1 1 10  24 25 o 89.00867 3.882984 393.0697       33.74876 329.7000       58.75597 424.2707       41.22829 79.96588 7.597729 92.23861 4.580758 -12.27273      8.871799 
1 1 1 10  24 26 o 61.25938 3.801587 186.5628       22.68289 211.7000       48.25924 179.4347       25.69848 63.72076 7.906920 59.91109 4.413193 3.809673       9.055145 
1 1 1 10  24 27 o 88.31232 5.073256 391.4231       43.66996 347.0000       55.71387 462.2000       70.32417 82.21739 6.989168 94.53349 7.665701 -12.31610      10.37359 
1 1 1 10  24 28 o 96.33243 3.212391 458.9930       30.24817 490.2770       40.53751 419.6935       45.43493 99.20573 4.183986 91.38106 5.099806 7.824677       6.596496 
1 1 1 10  24 29 o 60.44760 5.725522 186.0495       33.47283 0.000000       0.000000 186.0495       33.47283 ?        ?        60.44760 5.725522 ?              ?        
1 1 1 10  24 30 o 42.22311 7.418045 94.49272       29.53992 0.000000       0.000000 94.49272       29.53992 ?        ?        42.22311 7.418045 ?              ?        
1 1 1 10  24 31 o 57.37803 5.926644 169.2174       32.80745 0.000000       0.000000 169.2174       32.80745 ?        ?        57.37803 5.926644 ?              ?        
1 1 1 10  24 32 f 36.60392 8.239060 73.59330       28.80530 0.000000       0.000000 73.59330       28.80530 ?        ?        36.60392 8.239060 ?              ?        
1 1 1 10  24 33 o 54.43418 6.228959 154.5031       32.59198 0.000000       0.000000 154.5031       32.59198 ?        ?        54.43418 6.228959 ?              ?        
1 1 1 10  24 34 o 27.57565 8.989584 41.76593       27.85881 0.000000       0.000000 41.76593       27.85881 ?        ?        27.57565 8.989584 ?              ?        
1 1 1 10  24 35 o 46.20110 7.026947 114.5245       30.77785 0.000000       0.000000 114.5245       30.77785 ?        ?        46.20110 7.026947 ?              ?        
1 1 1 10  24 36 o 38.84993 9.096246 86.74000       33.97746 0.000000       0.000000 86.74000       33.97746 ?        ?        38.84993 9.096246 ?              ?        
1 1 1 10  24 37 o 44.48984 7.433944 108.2106       31.23183 0.000000       0.000000 108.2106       31.23183 ?        ?        44.48984 7.433944 ?              ?        
1 1 1 10  24 38 o 19.51848 9.466970 -67.26000      56.36526 0.000000       0.000000 -67.26000      56.36526 ?        ?        19.51848 9.466970 ?              ?        
1 1 1 10  24 39 o 45.06544 7.438283 111.8147       31.66752 0.000000       0.000000 111.8147       31.66752 ?        ?        45.06544 7.438283 ?              ?        
1 1 1 10  24 40 o 33.52723 8.681430 65.51736       28.71264 0.000000       0.000000 65.51736       28.71264 ?        ?        33.52723 8.681430 ?              ?        
1 1 1 10  24 41 o 52.65498 6.395446 148.8201       32.28716 0.000000       0.000000 148.8201       32.28716 ?        ?        52.65498 6.395446 ?              ?        
1 1 1 10  24 42 o 37.75084 8.391635 82.93009       30.20494 0.000000       0.000000 82.93009       30.20494 ?        ?        37.75084 8.391635 ?              ?        
1 1 1 10  24 43 o 55.59021 6.358437 166.8335       33.97660 0.000000       0.000000 166.8335       33.97660 ?        ?        55.59021 6.358437 ?              ?        
1 1 1 10  24 44 o 39.39924 8.059548 89.41257       30.03281 0.000000       0.000000 89.41257       30.03281 ?        ?        39.39924 8.059548 ?              ?        
1 1 1 10  24 45 o 44.07449 7.250599 108.7504       30.19328 0.000000       0.000000 108.7504       30.19328 ?        ?        44.07449 7.250599 ?              ?        
1 1 1 10  24 46 o 32.86504 10.04600 68.39000       35.30756 0.000000       0.000000 68.39000       35.30756 ?        ?        32.86504 10.04600 ?              ?        
1 1 1 10  24 47 o 20.47121 8.412597 15.31113       27.05451 0.000000       0.000000 15.31113       27.05451 ?        ?        20.47121 8.412597 ?              ?        
1 1 1 10  24 48 o 22.38300 10.25131 -3.227000      50.62668 0.000000       0.000000 -3.227000      50.62668 ?        ?        22.38300 10.25131 ?              ?        
1 1 1 10  24 49 o 15.37253 7.119077 -13.52525      25.39064 0.000000       0.000000 -13.52525      25.39064 ?        ?        15.37253 7.119077 ?              ?        
1 1 1 10  24 50 o 30.63923 8.881160 57.82679       28.17484 0.000000       0.000000 57.82679       28.17484 ?        ?        30.63923 8.881160 ?              ?        
1 1 1 10  24 51 f 30.41157 9.752124 59.96000       32.86890 0.000000       0.000000 59.96000       32.86890 ?        ?        30.41157 9.752124 ?              ?        
1 1 1 10  24 52 o 28.87984 9.755124 54.26000       32.73277 0.000000       0.000000 54.26000       32.73277 ?        ?        28.87984 9.755124 ?              ?        
1 1 1 10  25 0  o 161.5595 3.741167 1282.278       59.16240 1425.000       131.8195 1246.277       66.20493 169.0031 7.991171 159.1316 4.254196 9.871536       9.053011 
1 1 1 10  25 1  o 73.46012 3.758538 265.8058       26.93586 249.2000       61.55827 269.7381       29.95583 69.99773 9.207605 73.95082 4.155110 -3.953094      10.10173 
1 1 1 10  25 2  o 76.47163 5.038715 289.4193       37.50590 355.4000       65.20802 256.8000       45.84896 84.11713 8.016555 71.71645 6.605537 12.40068       10.38741 
1 1 1 10  25 3  o 81.10064 3.297824 323.4056       26.12470 335.0000       64.85654 321.1601       28.54270 81.57751 8.234875 80.77975 3.619015 0.7977676      8.995023 
1 1 1 10  25 4  f 92.23141 3.234408 418.0712       29.15460 450.9000       71.31881 411.4844       31.94579 94.88057 7.746650 91.45858 3.575366 3.421989       8.531930 
1 1 1 10  25 5  o 130.6304 4.040554 839.9012       51.60228 755.5000       92.00085 878.6409       62.32980 122.9681 7.681889 133.4626 4.778938 -10.49454      9.047080 
1 1 1 10  25 6  o 99.09995 4.707929 484.8915       45.53715 376.3000       69.64123 566.0000       60.18684 86.41833 8.336272 106.8578 5.775722 -20.43946      10.14162 
1 1 1 10  25 7  o 107.5246 3.226040 568.1511       33.91504 556.1000       76.44684 571.1042       37.84299 105.4500 7.454440 107.7513 3.593061 -2.301308      8.275189 
1 1 1 10  25 8  o 49.73251 5.203210 123.3888       24.95458 130.3000       55.16003 121.6103       27.98183 49.61292 11.57186 49.23027 5.925830 0.3826485      13.00090 
1 1 1 10  25 9  o 17.13346 6.578193 9.858748       15.48916 -21.03000      49.97936 13.14067       16.29125 23.30542 10.47807 18.38992 6.814441 4.915506       12.49906 
1 1 1 10  25 10 o 99.76215 3.212631 489.3647       31.33042 463.6000       71.91620 495.4001       34.80712 96.03314 7.715544 100.3247 3.550087 -4.291580      8.493099 
1 1 1 10  25 11 o 29.69621 5.691132 45.10099       15.94075 15.76000       50.06931 48.41051       16.81575 27.79757 11.43616 30.77293 5.795227 -2.975357      12.82070 
1 1 1 10  25 12 o 85.46890 4.321263 361.0482       36.03409 467.8000       69.05264 321.1000       42.24165 96.47507 7.368128 80.36259 5.401451 16.11247       9.135917 
1 1 1 10  25 13 o 70.96088 3.310555 248.1062       22.93123 213.0000       59.66215 254.1912       24.83920 64.03712 9.832068 71.79257 3.545665 -7.755455      10.45186 
1 1 1 10  25 14 o 18.00252 6.388656 14.06292       14.11444 108.4000       50.33100 6.010792       14.70448 44.93591 11.42065 15.68590 6.290780 29.25001       13.03860 
1 1 1 10  25 15 o 106.1699 3.256045 554.9545       33.79749 474.1000       74.27680 576.0659       37.95420 96.70282 7.916300 108.1034 3.591846 -11.40059      8.693052 
1 1 1 10  25 16 f 79.47592 3.492281 311.6287       27.10125 0.000000       0.000000 311.6287       27.10125 ?        ?        79.47592 3.492281 ?              ?        
1 1 1 10  25 17 o 42.06729 4.060668 88.16006       16.51289 0.000000       0.000000 88.16006       16.51289 ?        ?        42.06729 4.060668 ?              ?        
1 1 1 10  25 18 o 46.18990 3.859495 106.0257       17.29017 -5.709000      53.19157 119.2264       18.28303 25.42577 11.15148 49.00244 3.842459 -23.57667      11.79492 
1 1 1 10  25 19 o 79.27621 3.185924 310.0100       24.67169 286.2000       58.86329 315.0842       27.17375 74.53852 8.203305 79.86237 3.484558 -5.323845      8.912708 
1 1 1 10  25 20 o 49.81619 6.166549 126.2698       29.42755 168.0000       51.81411 106.4000       35.75354 56.15752 9.781392 44.92937 8.439663 11.22815       12.91912 
1 1 1 10  25 21 o 54.20161 5.957257 148.9650       31.08526 130.9000       50.06312 160.3000       39.65599 48.96621 10.74120 55.72476 7.457370 -6.758553      13.07616 
1 1 1 10  25 22 o 17.41686 6.421701 12.35262       14.43586 -27.89000      43.44521 17.34718       15.30549 20.35647 9.386349 19.32285 6.667238 1.033619       11.51328 
1 1 1 10  25 23 o 45.63924 4.741197 104.7895       20.87204 225.6000       49.18777 78.25951       23.05014 65.96210 7.766979 38.95055 6.257689 27.01155       9.974198 
1 1 1 10  25 24 o 82.14298 3.861091 334.9890       30.95777 311.9000       56.41748 344.9362       37.03074 77.73781 7.507693 83.12212 4.568915 -5.384308      8.788654 
1 1 1 10  25 25 o 50.76394 4.058573 128.6962       19.99886 127.9000       44.26596 128.9004       22.41710 48.50223 9.663493 50.67027 4.568833 -2.168037      10.68912 
1 1 1 10  25 26 o 52.18232 4.096196 136.0696       20.75475 134.6000       42.26501 136.5366       23.82523 50.06114 8.954023 52.09741 4.723408 -2.036270      10.12349 
1 1 1 10  25 27 o 66.17376 3.564345 217.5476       23.00202 167.4000       41.23083 240.2080       27.71599 56.48428 7.654196 69.38119 4.099420 -12.89690      8.682855 
1 1 1 10  25 28 o 68.47433 5.621404 238.2450       37.34578 0.000000       0.000000 238.2450       37.34578 ?        ?        68.47433 5.621404 ?              ?        
1 1 1 10  25 29 f 60.60928 5.860021 188.1066       34.33208 0.000000       0.000000 188.1066       34.33208 ?        ?        60.60928 5.860021 ?              ?        
1 1 1 10  25 30 f 36.03239 8.295169 71.15907       28.65071 0.000000       0.000000 71.15907       28.65071 ?        ?        36.03239 8.295169 ?              ?        
1 1 1 10  25 31 o 88.82607 5.103898 400.6267       44.18922 0.000000       0.000000 400.6267       44.18922 ?        ?        88.82607 5.103898 ?              ?        
1 1 1 10  25 32 o 30.33906 8.867955 51.62392       27.98646 0.000000       0.000000 51.62392       27.98646 ?        ?        30.33906 8.867955 ?              ?        
1 1 1 10  25 33 o 47.95306 6.983285 122.9191       31.81583 0.000000       0.000000 122.9191       31.81583 ?        ?        47.95306 6.983285 ?              ?        
1 1 1 10  25 34 f 21.40050 8.511045 17.20253       26.69011 0.000000       0.000000 17.20253       26.69011 ?        ?        21.40050 8.511045 ?              ?        
1 1 1 10  25 35 o 49.72751 7.843629 135.8000       36.91467 0.000000       0.000000 135.8000       36.91467 ?        ?        49.72751 7.843629 ?              ?        
1 1 1 10  25 36 o 16.54539 7.500509 -9.464414      26.23398 0.000000       0.000000 -9.464414      26.23398 ?        ?        16.54539 7.500509 ?              ?        
1 1 1 10  25 37 o 26.19955 11.52545 13.97000       57.20930 0.000000       0.000000 13.97000       57.20930 ?        ?        26.19955 11.52545 ?              ?        
1 1 1 10  25 38 o 22.14816 8.693586 21.10416       27.51650 0.000000       0.000000 21.10416       27.51650 ?        ?        22.14816 8.693586 ?              ?        
1 1 1 10  25 39 o 38.14620 8.028172 82.64362       29.02572 0.000000       0.000000 82.64362       29.02572 ?        ?        38.14620 8.028172 ?              ?        
1 1 1 10  25 40 o 27.65222 8.910501 44.40728       27.41730 0.000000       0.000000 44.40728       27.41730 ?        ?        27.65222 8.910501 ?              ?        
1 1 1 10  25 41 o 16.79556 7.542815 -5.073919      25.81917 0.000000       0.000000 -5.073919      25.81917 ?        ?        16.79556 7.542815 ?              ?        
1 1 1 10  25 42 o 30.93114 8.853346 57.33747       28.16536 0.000000       0.000000 57.33747       28.16536 ?        ?        30.93114 8.853346 ?              ?        
1 1 1 10  25 43 f 23.32756 8.813652 28.00479       27.52546 0.000000       0.000000 28.00479       27.52546 ?        ?        23.32756 8.813652 ?              ?        
1 1 1 10  25 44 o 21.06877 8.476423 18.43364       26.78709 0.000000       0.000000 18.43364       26.78709 ?        ?        21.06877 8.476423 ?              ?        
1 1 1 10  25 45 o 16.13811 7.569346 -20.33000      30.20084 0.000000       0.000000 -20.33000      30.20084 ?        ?        16.13811 7.569346 ?              ?        
1 1 1 10  25 46 o 29.16649 9.042273 51.63690       28.48207 0.000000       0.000000 51.63690       28.48207 ?        ?        29.16649 9.042273 ?              ?        
1 1 1 10  25 47 o 31.25229 12.09043 66.07000       52.60796 0.000000       0.000000 66.07000       52.60796 ?        ?        31.25229 12.09043 ?              ?        
1 1 1 10  25 48 o 25.12583 8.849762 36.56586       27.04253 0.000000       0.000000 36.56586       27.04253 ?        ?        25.12583 8.849762 ?              ?        
1 1 1 10  25 49 o 34.64683 8.558360 72.65442       28.85157 0.000000       0.000000 72.65442       28.85157 ?        ?        34.64683 8.558360 ?              ?        
1 1 1 10  25 50 o 19.04450 8.037009 10.87800       25.66318 0.000000       0.000000 10.87800       25.66318 ?        ?        19.04450 8.037009 ?              ?        
1 1 1 10  25 51 f 40.04718 7.632421 94.05326       28.82663 0.000000       0.000000 94.05326       28.82663 ?        ?        40.04718 7.632421 ?              ?        
1 1 1 10  26 0  o 21.75821 7.059173 22.85515       17.18983 -13.50000      50.33210 27.65560       18.28956 24.21214 10.72368 23.54762 7.236490 0.6645260      12.93693 
1 1 1 10  26 1  o 129.4113 3.915498 824.6257       49.54109 729.5000       90.85062 864.8823       59.10137 120.6416 7.734252 132.3920 4.567523 -11.75038      8.982256 
1 1 1 10  26 2  o 119.1742 3.874508 699.3822       45.13646 800.4000       90.12762 665.5645       52.14715 126.5346 7.307922 116.1079 4.597502 10.42669       8.633814 
1 1 1 10  26 3  o 53.67072 4.885947 143.2893       25.38693 121.7000       54.23907 149.3459       28.72803 47.83572 11.68561 54.69965 5.437483 -6.863930      12.88874 
1 1 1 10  26 4  o 64.12260 4.369579 203.5129       27.26178 181.6000       56.89455 210.0434       31.05957 59.08083 10.20726 65.05300 4.914116 -5.972172      11.32857 
1 1 1 10  26 5  o 95.69453 3.219336 450.3707       30.11209 484.8000       71.73019 443.0053       33.17704 98.25379 7.515453 94.85320 3.579807 3.400597       8.324485 
1 1 1 10  26 6  o 24.46711 6.716684 30.73037       16.57267 30.34000       50.30198 30.77790       17.55267 30.03914 11.76515 24.54010 6.977746 5.499043       13.67873 
1 1 1 10  26 7  o 113.5632 3.300104 634.3549       36.64466 643.8000       82.81026 632.0549       40.86331 113.2349 7.513825 113.2860 3.690037 -0.5113220E-01 8.371018 
1 1 1 10  26 8  o 72.52769 3.408967 259.2119       24.13325 217.7000       61.46587 266.7776       26.24043 64.73252 10.02455 73.54344 3.656664 -8.810921      10.67065 
1 1 1 10  26 9  o 153.3292 4.254328 1160.216       63.78846 1330.000       124.6462 1099.973       74.24767 162.5819 7.855755 149.0228 5.097579 13.55913       9.364732 
1 1 1 10  26 10 f 148.6470 3.603454 1087.554       52.43016 1187.000       116.4468 1062.268       58.71880 153.5359 7.773683 146.7330 4.092302 6.802948       8.785048 
1 1 1 10  26 11 o 62.07955 3.503740 190.2667       21.20412 161.8000       59.12305 194.4688       22.71527 55.01318 11.35609 62.72976 3.716109 -7.716579      11.94865 
1 1 1 10  26 12 o 41.17493 4.482350 84.73559       17.77402 27.25000       55.40095 91.33142       18.76603 30.28786 12.18850 42.75122 4.554582 -12.46337      13.01168 
1 1 1 10  26 13 o 40.23197 4.683714 81.14150       18.10006 54.62000       56.12107 84.22048       19.12187 34.58653 12.67695 40.96077 4.864182 -6.374241      13.57812 
1 1 1 10  26 14 o 68.90211 3.957213 235.0330       26.57649 342.0000       64.17734 212.8927       29.19766 81.81417 8.121037 65.43410 4.587736 16.38007       9.327302 
1 1 1 10  26 15 o 17.47825 6.356641 12.68925       14.07045 65.61000       52.18297 8.540032       14.61163 35.98601 12.31459 16.34299 6.358192 19.64301       13.85914 
1 1 1 10  26 16 o 84.97382 3.531363 356.6300       29.30800 0.000000       0.000000 356.6300       29.30800 ?        ?        84.97382 3.531363 ?              ?        
1 1 1 10  26 17 o 49.77134 3.872223 123.1268       18.71620 0.000000       0.000000 123.1268       18.71620 ?        ?        49.77134 3.872223 ?              ?        
1 1 1 10  26 18 o 50.45966 3.871208 126.6017       18.97438 0.000000       0.000000 126.6017       18.97438 ?        ?        50.45966 3.871208 ?              ?        
1 1 1 10  26 19 o 65.69688 3.569204 213.7578       22.86590 249.7000       55.75727 206.4910       25.07110 69.28838 8.392018 64.47133 3.992424 4.817047       9.293300 
1 1 1 10  26 20 o 67.08559 4.495132 224.5408       29.34704 196.3000       54.73693 235.9336       34.76624 60.72668 9.521386 68.54979 5.220646 -7.823105      10.85873 
1 1 1 10  26 21 o 68.25934 4.445539 232.5294       29.54089 281.6000       55.34027 212.9749       34.93449 73.75834 7.782391 64.96195 5.547029 8.796387       9.556942 
1 1 1 10  26 22 o 52.05980 4.450351 135.7448       22.46062 79.92000       48.18183 151.2442       25.38788 37.96156 11.75934 54.88015 4.773566 -16.91859      12.69129 
1 1 1 10  26 23 o 103.0635 3.302261 525.3178       33.27066 611.0000       71.43985 501.5871       37.59676 109.4325 6.701556 100.5266 3.827874 8.905952       7.717737 
1 1 1 10  26 24 o 65.31035 3.544041 211.7102       22.57131 180.4000       47.77166 220.7087       25.61023 58.29357 8.632868 66.57738 3.947613 -8.283806      9.492632 
1 1 1 10  26 25 o 68.14885 3.460831 230.4637       23.01023 229.6000       46.24265 230.7479       26.52757 66.53039 7.216380 68.03446 4.001141 -1.504074      8.251379 
1 1 1 10  26 26 o 43.19099 4.499126 94.09411       18.74224 143.2000       36.87499 76.98988       21.76290 52.23434 7.420800 38.58002 5.954416 13.65432       9.514375 
1 1 1 10  26 27 o 38.67731 4.578380 75.80614       16.99731 70.90000       28.10928 78.63407       21.34098 36.17770 8.135776 39.02996 5.758918 -2.852253      9.967747 
1 1 1 10  26 28 f 97.75011 5.105146 483.1006       48.67701 0.000000       0.000000 483.1006       48.67701 ?        ?        97.75011 5.105146 ?              ?        
1 1 1 10  26 29 o 68.41560 5.699777 239.9477       37.82331 0.000000       0.000000 239.9477       37.82331 ?        ?        68.41560 5.699777 ?              ?        
1 1 1 10  26 30 f 78.22018 5.320100 312.3866       40.49043 0.000000       0.000000 312.3866       40.49043 ?        ?        78.22018 5.320100 ?              ?        
1 1 1 10  26 31 o 26.75175 9.002950 38.64835       27.87993 0.000000       0.000000 38.64835       27.87993 ?        ?        26.75175 9.002950 ?              ?        
1 1 1 10  26 32 o 25.74642 8.808766 35.32658       26.70016 0.000000       0.000000 35.32658       26.70016 ?        ?        25.74642 8.808766 ?              ?        
1 1 1 10  26 33 o 36.64429 9.203379 77.55000       32.96179 0.000000       0.000000 77.55000       32.96179 ?        ?        36.64429 9.203379 ?              ?        
1 1 1 10  26 34 o 62.86055 7.122373 212.3000       43.05237 0.000000       0.000000 212.3000       43.05237 ?        ?        62.86055 7.122373 ?              ?        
1 1 1 10  26 35 o 21.12892 8.683351 14.14756       28.82602 0.000000       0.000000 14.14756       28.82602 ?        ?        21.12892 8.683351 ?              ?        
1 1 1 10  26 36 o 27.50976 11.89228 24.62000       58.67204 0.000000       0.000000 24.62000       58.67204 ?        ?        27.50976 11.89228 ?              ?        
1 1 1 10  26 37 f 23.92941 9.019506 28.42866       28.78729 0.000000       0.000000 28.42866       28.78729 ?        ?        23.92941 9.019506 ?              ?        
1 1 1 10  26 38 o 26.99122 9.016232 41.66763       27.96736 0.000000       0.000000 41.66763       27.96736 ?        ?        26.99122 9.016232 ?              ?        
1 1 1 10  26 39 o 46.55073 7.279943 119.9083       32.08527 0.000000       0.000000 119.9083       32.08527 ?        ?        46.55073 7.279943 ?              ?        
1 1 1 10  26 40 o 27.77635 9.065111 45.63581       28.32496 0.000000       0.000000 45.63581       28.32496 ?        ?        27.77635 9.065111 ?              ?        
1 1 1 10  26 41 o 54.05084 6.470842 158.6113       33.55539 0.000000       0.000000 158.6113       33.55539 ?        ?        54.05084 6.470842 ?              ?        
1 1 1 10  26 42 o 17.73753 7.788345 1.049078       26.01256 0.000000       0.000000 1.049078       26.01256 ?        ?        17.73753 7.788345 ?              ?        
1 1 1 10  26 43 o 34.08277 8.688966 69.61288       29.07074 0.000000       0.000000 69.61288       29.07074 ?        ?        34.08277 8.688966 ?              ?        
1 1 1 10  26 44 f 28.91284 9.840570 51.64000       33.31359 0.000000       0.000000 51.64000       33.31359 ?        ?        28.91284 9.840570 ?              ?        
1 1 1 10  26 45 o 18.52127 8.000384 5.470222       26.51269 0.000000       0.000000 5.470222       26.51269 ?        ?        18.52127 8.000384 ?              ?        
1 1 1 10  26 46 o 26.51643 11.32409 33.15000       51.99101 0.000000       0.000000 33.15000       51.99101 ?        ?        26.51643 11.32409 ?              ?        
1 1 1 10  26 47 o 27.58594 8.997166 46.19723       27.90417 0.000000       0.000000 46.19723       27.90417 ?        ?        27.58594 8.997166 ?              ?        
1 1 1 10  26 48 o 15.74706 7.231701 -10.11801      25.42694 0.000000       0.000000 -10.11801      25.42694 ?        ?        15.74706 7.231701 ?              ?        
1 1 1 10  26 49 o 17.48214 7.666620 2.699759       25.13478 0.000000       0.000000 2.699759       25.13478 ?        ?        17.48214 7.666620 ?              ?        
1 1 1 10  26 50 o 21.00742 8.365468 21.26618       25.81718 0.000000       0.000000 21.26618       25.81718 ?        ?        21.00742 8.365468 ?              ?        
1 1 1 10  27 0  o 248.3585 5.889191 3063.345       143.1663 3444.000       270.1934 2914.756       168.8121 258.8703 10.68614 241.3284 7.154323 17.54190       12.85994 
1 1 1 10  27 1  o 128.8949 3.990933 819.4075       50.29131 900.6000       97.45022 789.9338       58.71412 133.8742 7.466267 126.3489 4.755991 7.525360       8.852378 
1 1 1 10  27 2  o 90.16369 3.959777 401.3124       34.86167 408.4000       68.89301 398.8728       40.41848 89.82446 7.916566 89.75071 4.616336 0.7374573E-01  9.164202 
1 1 1 10  27 3  o 112.6602 5.081812 629.4094       55.89535 734.8000       85.95893 552.2000       73.57413 120.9298 7.295853 104.8055 7.215949 16.12429       10.26155 
1 1 1 10  27 4  o 100.3717 3.248100 495.8766       31.86946 511.6000       74.46359 492.3506       35.26222 100.6910 7.611593 99.94701 3.610337 0.7439651      8.424421 
1 1 1 10  27 5  o 14.61040 6.207855 0.4922486      15.48573 -112.1000      51.11335 11.87158       16.24944 16.89828 8.359350 17.94555 6.773715 -1.047268      10.75927 
1 1 1 10  27 6  o 62.26868 4.352114 192.3383       26.35927 255.6000       60.55147 177.5470       29.27910 70.45880 8.983824 59.67099 5.060574 10.78781       10.31109 
1 1 1 10  27 7  o 89.16787 3.889154 392.6681       33.86288 426.6000       69.31705 382.0318       38.80902 91.73953 7.792970 87.80802 4.530680 3.931511       9.014291 
1 1 1 10  27 8  o 114.9641 3.371496 651.0303       37.89846 553.3000       81.10778 678.3280       42.86576 104.4118 7.996950 117.2654 3.739296 -12.85358      8.827997 
1 1 1 10  27 9  o 21.02448 7.840403 17.44270       21.63096 59.75000       52.71367 8.876298       23.72001 35.08552 12.35593 19.59558 7.943190 15.48994       14.68888 
1 1 1 10  27 10 o 26.47433 6.355709 36.40356       16.26112 0.7998000      52.51022 40.18008       17.10181 26.10462 11.26753 27.81382 6.412854 -1.709198      12.96465 
1 1 1 10  27 11 o 42.43895 4.315265 89.93545       17.67676 90.38000       54.54982 89.88329       18.68499 40.91322 12.48320 42.37410 4.577477 -1.460884      13.29600 
1 1 1 10  27 12 o 73.00629 3.384676 263.1312       24.12127 241.3000       62.22478 266.9920       26.16735 67.85697 9.639208 73.48973 3.649114 -5.632759      10.30681 
1 1 1 10  27 13 o 51.26308 3.863395 130.4940       19.24297 146.9000       57.02738 128.3860       20.44190 51.85049 11.53410 50.78908 4.148017 1.061417       12.25731 
1 1 1 10  27 14 o 75.46832 3.389670 281.3617       24.97574 268.7000       64.63393 283.5842       27.07916 71.55219 9.460057 75.70710 3.665089 -4.154907      10.14522 
1 1 1 10  27 15 o 150.6737 4.180665 1125.146       61.59835 1111.000       114.4141 1130.919       73.09626 147.3331 7.963245 150.6763 4.962918 -3.343185      9.383167 
1 1 1 10  27 16 f 71.68509 3.996089 255.0890       27.92852 183.3000       61.39742 273.8189       31.36090 57.90093 11.23863 74.18642 4.337671 -16.28550      12.04667 
1 1 1 10  27 17 f 114.3504 3.717920 647.1302       41.55910 0.000000       0.000000 647.1302       41.55910 ?        ?        114.3504 3.717920 ?              ?        
1 1 1 10  27 18 o 29.99947 5.571913 46.43815       15.75937 0.000000       0.000000 46.43815       15.75937 ?        ?        29.99947 5.571913 ?              ?        
1 1 1 10  27 19 o 54.56742 3.530782 147.7906       18.75741 89.71000       50.34561 157.1523       20.21266 40.03407 11.94451 56.24001 3.692159 -16.20594      12.50214 
1 1 1 10  27 20 o 47.67048 5.681803 115.6981       25.99075 116.4000       50.38374 115.4436       30.33909 45.53679 11.34560 47.25206 6.751268 -1.715271      13.20236 
1 1 1 10  27 21 f 128.3511 5.220940 826.8888       65.45564 878.9000       92.14034 773.9000       93.00217 130.8620 7.221325 122.2944 7.810089 8.567650       10.63696 
1 1 1 10  27 22 o 24.13760 6.212201 30.60498       14.76289 1.451000       41.44619 34.84136       15.79912 23.02414 9.974146 25.72577 6.320414 -2.701630      11.80810 
1 1 1 10  27 23 o 98.93085 4.079065 487.4041       39.41541 499.0000       64.91941 480.6339       49.60458 98.63908 6.764827 97.71407 5.205090 0.9250031      8.535563 
1 1 1 10  27 24 o 79.92680 3.284733 316.5613       25.64321 431.0000       55.61049 285.6564       28.89907 91.88496 6.219750 75.72089 3.912345 16.16408       7.347907 
1 1 1 10  27 25 o 109.7630 3.312546 596.9763       35.54896 575.6000       66.96862 605.3629       41.94675 105.9528 6.488441 110.2751 3.892208 -4.322350      7.566317 
1 1 1 10  27 26 o 30.08476 7.232354 48.67511       21.03386 48.45000       28.95807 48.92652       30.60277 29.80849 9.095285 29.97200 9.385527 -0.1635151     13.06952 
1 1 1 10  27 27 o 94.47361 5.172060 452.4991       47.64534 0.000000       0.000000 452.4991       47.64534 ?        ?        94.47361 5.172060 ?              ?        
1 1 1 10  27 28 o 26.88375 9.171085 38.14948       28.93755 0.000000       0.000000 38.14948       28.93755 ?        ?        26.88375 9.171085 ?              ?        
1 1 1 10  27 29 o 40.57219 8.050607 90.53647       30.84273 0.000000       0.000000 90.53647       30.84273 ?        ?        40.57219 8.050607 ?              ?        
1 1 1 10  27 30 o 52.21933 6.708062 144.6544       33.49638 0.000000       0.000000 144.6544       33.49638 ?        ?        52.21933 6.708062 ?              ?        
1 1 1 10  27 31 o 49.80482 6.971303 132.8880       33.05578 0.000000       0.000000 132.8880       33.05578 ?        ?        49.80482 6.971303 ?              ?        
1 1 1 10  27 32 f 21.77575 8.872214 16.17000       29.77130 0.000000       0.000000 16.17000       29.77130 ?        ?        21.77575 8.872214 ?              ?        
1 1 1 10  27 33 o 37.50594 8.361922 79.71225       29.91475 0.000000       0.000000 79.71225       29.91475 ?        ?        37.50594 8.361922 ?              ?        
1 1 1 10  27 34 o 37.91803 13.41494 96.97000       62.19253 0.000000       0.000000 96.97000       62.19253 ?        ?        37.91803 13.41494 ?              ?        
1 1 1 10  27 35 o 77.82710 5.607072 315.6124       42.42797 0.000000       0.000000 315.6124       42.42797 ?        ?        77.82710 5.607072 ?              ?        
1 1 1 10  27 36 o 26.84370 9.205699 40.73229       29.16481 0.000000       0.000000 40.73229       29.16481 ?        ?        26.84370 9.205699 ?              ?        
1 1 1 10  27 37 o 25.63750 9.056799 36.37931       28.33872 0.000000       0.000000 36.37931       28.33872 ?        ?        25.63750 9.056799 ?              ?        
1 1 1 10  27 38 o 17.45225 7.789750 -3.455442      27.08486 0.000000       0.000000 -3.455442      27.08486 ?        ?        17.45225 7.789750 ?              ?        
1 1 1 10  27 39 f 37.47956 8.490346 82.52544       30.42315 0.000000       0.000000 82.52544       30.42315 ?        ?        37.47956 8.490346 ?              ?        
1 1 1 10  27 40 o 66.60984 5.839643 236.2162       37.68945 0.000000       0.000000 236.2162       37.68945 ?        ?        66.60984 5.839643 ?              ?        
1 1 1 10  27 41 o 21.14009 8.570738 17.91546       27.62147 0.000000       0.000000 17.91546       27.62147 ?        ?        21.14009 8.570738 ?              ?        
1 1 1 10  27 42 o 33.91302 8.808373 69.41061       29.49763 0.000000       0.000000 69.41061       29.49763 ?        ?        33.91302 8.808373 ?              ?        
1 1 1 10  27 43 o 46.68313 8.729831 129.1000       38.42458 0.000000       0.000000 129.1000       38.42458 ?        ?        46.68313 8.729831 ?              ?        
1 1 1 10  27 44 o 24.48149 8.882840 33.69232       27.45432 0.000000       0.000000 33.69232       27.45432 ?        ?        24.48149 8.882840 ?              ?        
1 1 1 10  27 45 o 40.76149 8.319110 97.89105       32.06725 0.000000       0.000000 97.89105       32.06725 ?        ?        40.76149 8.319110 ?              ?        
1 1 1 10  27 46 o 16.01484 7.332646 -9.437653      25.87812 0.000000       0.000000 -9.437653      25.87812 ?        ?        16.01484 7.332646 ?              ?        
1 1 1 10  27 47 o 43.70720 7.399737 109.2388       30.52896 0.000000       0.000000 109.2388       30.52896 ?        ?        43.70720 7.399737 ?              ?        
1 1 1 10  27 48 o 21.63153 8.465847 23.35871       26.02903 0.000000       0.000000 23.35871       26.02903 ?        ?        21.63153 8.465847 ?              ?        
1 1 1 10  27 49 o 32.29823 8.560539 64.88608       27.49631 0.000000       0.000000 64.88608       27.49631 ?        ?        32.29823 8.560539 ?              ?        
1 1 1 10  28 0  o 44.81818 4.185783 100.0455       18.15035 94.13000       52.69763 100.8417       19.33327 41.71920 12.16151 44.94672 4.452884 -3.227520      12.95108 
1 1 1 10  28 1  o 71.52311 5.770284 256.2967       40.05442 272.8000       61.01722 243.8000       53.09622 72.75649 8.742854 69.01299 8.008603 3.743500       11.85644 
1 1 1 10  28 2  f 51.91550 7.319943 138.0491       36.16607 151.2000       55.76117 128.5000       47.51573 53.02630 11.09992 49.09816 10.21986 3.928143       15.08820 
1 1 1 10  28 3  o 151.6030 3.649832 1132.842       54.16103 1194.000       117.5670 1116.366       61.02203 153.5082 7.850410 150.2849 4.152232 3.223328       8.880877 
1 1 1 10  28 4  o 64.31924 3.585786 204.4926       22.48583 195.4000       59.75146 205.9927       24.26995 60.71642 10.42961 64.50475 3.861569 -3.788322      11.12153 
1 1 1 10  28 5  f 58.22015 4.440302 168.6216       25.11328 295.1000       61.44702 143.2590       27.51629 75.78049 8.426262 53.43608 5.331867 22.34441       9.971495 
1 1 1 10  28 6  o 72.27490 4.163954 258.9663       29.33306 293.6000       64.40794 249.9029       32.94837 75.34566 8.905127 70.85052 4.778955 4.495140       10.10642 
1 1 1 10  28 7  o 40.72157 5.952405 84.43908       23.02505 125.1000       55.75549 76.07906       25.28151 47.74152 11.95810 38.33886 6.994502 9.402664       13.85349 
1 1 1 10  28 8  o 51.47787 4.078732 131.7764       20.38403 71.18000       56.64888 140.7893       21.84743 37.25417 12.82794 53.18839 4.231256 -15.93421      13.50776 
1 1 1 10  28 9  o 48.77256 5.519360 120.0254       25.88686 193.2000       59.72609 103.0993       28.72522 60.09330 10.53790 44.81308 6.758656 15.28022       12.51906 
1 1 1 10  28 10 o 34.00891 5.308833 58.92512       17.09539 44.88000       54.58733 60.45244       18.00092 32.44731 12.37612 34.40105 5.533482 -1.953735      13.55683 
1 1 1 10  28 11 f 28.15350 6.077369 41.20850       16.25627 23.99000       53.90327 42.93124       17.05012 29.13783 11.91304 28.71454 6.244514 0.4232883      13.45044 
1 1 1 10  28 12 o 33.20268 5.319211 56.30510       16.70386 79.79000       53.85165 53.80499       17.57050 38.40534 12.49701 32.33072 5.763557 6.074619       13.76204 
1 1 1 10  28 13 o 20.75442 6.626416 21.42212       15.18801 -8.861000      52.97818 24.13390       15.85345 24.80311 10.99284 21.82892 6.742510 2.974192       12.89589 
1 1 1 10  28 14 o 98.15880 3.267047 475.8078       31.34623 541.9000       76.46095 462.4555       34.36703 102.7648 7.656337 96.66630 3.638619 6.098526       8.476972 
1 1 1 10  28 15 o 101.1433 3.309412 505.4131       32.71968 450.2000       73.66113 518.9848       36.52028 93.25488 8.151627 102.3902 3.649763 -9.135353      8.931393 
1 1 1 10  28 16 o 60.08852 3.833189 179.4967       22.42785 214.0000       55.57415 172.7841       24.51264 63.47308 9.213920 58.83516 4.285837 4.637917       10.16192 
1 1 1 10  28 17 o 58.43265 5.078550 171.9000       28.75880 0.000000       0.000000 171.9000       28.75880 ?        ?        58.43265 5.078550 ?              ?        
1 1 1 10  28 18 o 66.99236 3.724344 222.9483       24.32587 0.000000       0.000000 222.9483       24.32587 ?        ?        66.99236 3.724344 ?              ?        
1 1 1 10  28 19 o 60.16878 4.105974 180.6578       24.03717 135.1000       53.71959 192.0627       26.87802 48.91979 11.42634 61.94105 4.463074 -13.02126      12.26704 
1 1 1 10  28 20 o 42.77624 8.922457 99.08465       36.14800 135.9000       48.58598 53.44000       54.09928 49.56560 10.34902 33.09478 12.38766 16.47082       16.14176 
1 1 1 10  28 21 o 83.45456 4.244965 347.6757       34.56221 385.4000       60.58631 329.4767       42.08110 86.31218 7.237871 80.76936 5.352930 5.542816       9.002257 
1 1 1 10  28 22 o 38.27931 4.512771 74.14193       16.58424 50.24000       42.45109 78.44688       18.01593 31.20592 11.07902 39.31315 4.779909 -8.107233      12.06616 
1 1 1 10  28 23 o 131.1312 3.477829 852.9335       44.60022 770.2000       83.32758 886.1515       52.80005 122.1463 6.998808 133.3470 4.049939 -11.20071      8.086119 
1 1 1 10  28 24 o 19.77061 6.601730 19.27687       14.99420 -17.02000      31.35391 30.03923       17.07305 17.58979 8.060301 23.83420 6.914862 -6.244413      10.61997 
1 1 1 10  28 25 o 51.40906 4.500656 133.4988       22.41938 0.000000       0.000000 133.4988       22.41938 ?        ?        51.40906 4.500656 ?              ?        
1 1 1 10  28 26 o 72.96428 3.045128 264.2158       21.70033 213.6000       35.03438 295.7228       27.64111 64.51456 5.603444 76.95763 3.680084 -12.44307      6.703850 
1 1 1 10  28 27 o 62.87313 6.107663 205.3997       37.11470 0.000000       0.000000 205.3997       37.11470 ?        ?        62.87313 6.107663 ?              ?        
1 1 1 10  28 28 f 37.87040 8.642258 80.84779       31.32662 0.000000       0.000000 80.84779       31.32662 ?        ?        37.87040 8.642258 ?              ?        
1 1 1 10  28 29 o 73.89291 5.513294 281.6198       39.58937 0.000000       0.000000 281.6198       39.58937 ?        ?        73.89291 5.513294 ?              ?        
1 1 1 10  28 30 o 28.87863 9.151338 47.34438       29.01269 0.000000       0.000000 47.34438       29.01269 ?        ?        28.87863 9.151338 ?              ?        
1 1 1 10  28 31 o 38.22562 9.487594 85.59000       35.33191 0.000000       0.000000 85.59000       35.33191 ?        ?        38.22562 9.487594 ?              ?        
1 1 1 10  28 32 o 38.84847 8.508347 86.02715       31.45610 0.000000       0.000000 86.02715       31.45610 ?        ?        38.84847 8.508347 ?              ?        
1 1 1 10  28 33 o 50.01011 13.40170 169.7000       66.92799 0.000000       0.000000 169.7000       66.92799 ?        ?        50.01011 13.40170 ?              ?        
1 1 1 10  28 34 o 30.75190 9.266652 55.84504       30.18949 0.000000       0.000000 55.84504       30.18949 ?        ?        30.75190 9.266652 ?              ?        
1 1 1 10  28 35 f 38.77133 8.366199 86.40793       30.81725 0.000000       0.000000 86.40793       30.81725 ?        ?        38.77133 8.366199 ?              ?        
1 1 1 10  28 36 o 57.55206 6.174912 176.6334       34.24217 0.000000       0.000000 176.6334       34.24217 ?        ?        57.55206 6.174912 ?              ?        
1 1 1 10  28 37 o 29.81513 9.031799 53.10826       28.62512 0.000000       0.000000 53.10826       28.62512 ?        ?        29.81513 9.031799 ?              ?        
1 1 1 10  28 38 o 29.78043 9.048313 53.47130       28.70035 0.000000       0.000000 53.47130       28.70035 ?        ?        29.78043 9.048313 ?              ?        
1 1 1 10  28 39 o 19.23963 8.247096 7.631361       27.76283 0.000000       0.000000 7.631361       27.76283 ?        ?        19.23963 8.247096 ?              ?        
1 1 1 10  28 40 f 28.18862 9.189094 47.85273       29.10923 0.000000       0.000000 47.85273       29.10923 ?        ?        28.18862 9.189094 ?              ?        
1 1 1 10  28 41 o 37.24224 8.391056 82.05444       29.85266 0.000000       0.000000 82.05444       29.85266 ?        ?        37.24224 8.391056 ?              ?        
1 1 1 10  28 42 o 21.21493 8.914660 15.23000       31.35943 0.000000       0.000000 15.23000       31.35943 ?        ?        21.21493 8.914660 ?              ?        
1 1 1 10  28 43 o 22.51252 10.29168 -1.566000      50.71665 0.000000       0.000000 -1.566000      50.71665 ?        ?        22.51252 10.29168 ?              ?        
1 1 1 10  28 44 o 26.56707 9.105424 42.34937       28.53181 0.000000       0.000000 42.34937       28.53181 ?        ?        26.56707 9.105424 ?              ?        
1 1 1 10  28 45 o 23.87568 8.854052 31.72656       27.51255 0.000000       0.000000 31.72656       27.51255 ?        ?        23.87568 8.854052 ?              ?        
1 1 1 10  28 46 o 15.53608 7.167059 -11.41615      25.37262 0.000000       0.000000 -11.41615      25.37262 ?        ?        15.53608 7.167059 ?              ?        
1 1 1 10  28 47 o 23.36361 8.699579 30.76229       26.61193 0.000000       0.000000 30.76229       26.61193 ?        ?        23.36361 8.699579 ?              ?        
1 1 1 10  28 48 o 11.71536 5.774204 -42.55595      23.61802 0.000000       0.000000 -42.55595      23.61802 ?        ?        11.71536 5.774204 ?              ?        
1 1 1 10  29 0  o 61.21960 4.698400 187.0404       27.93925 163.9000       61.69420 193.0106       31.33685 54.58806 11.88410 62.05986 5.206633 -7.471798      12.97462 
1 1 1 10  29 1  o 92.24177 4.887095 423.8928       43.96754 379.2000       69.58049 453.6000       56.72833 85.76106 8.396251 94.95341 6.136419 -9.192352      10.39965 
1 1 1 10  29 2  o 47.54615 5.058315 113.6572       23.18021 54.02000       55.52378 126.2455       25.50962 34.05787 12.58761 50.07893 5.283613 -16.02106      13.65153 
1 1 1 10  29 3  o 46.92384 5.059347 110.7551       22.87090 189.3000       58.54744 96.61082       24.84498 59.41670 10.44808 43.54690 5.987050 15.86980       12.04189 
1 1 1 10  29 4  o 43.36500 4.540487 94.26471       18.98757 160.3000       56.64140 85.90449       20.15369 54.27608 11.03786 41.24523 5.100581 13.03086       12.15937 
1 1 1 10  29 5  f 66.11065 3.501138 216.2680       22.57541 248.4000       61.66176 211.2943       24.25980 68.68913 9.418890 65.27731 3.813415 3.411819       10.16158 
1 1 1 10  29 6  o 72.14776 3.449055 257.4190       24.28676 309.1000       64.83312 248.9828       26.19409 77.04511 8.751880 70.87677 3.789437 6.168343       9.537045 
1 1 1 10  29 7  o 19.61086 6.948382 17.20491       16.69025 -35.39000      53.12203 22.96537       17.58051 22.26859 10.30730 21.66926 7.145611 0.5993309      12.54194 
1 1 1 10  29 8  o 64.35243 3.620528 205.2092       22.71371 221.5000       61.62448 202.6481       24.43398 64.35029 10.11707 63.87898 3.926758 0.4713058      10.85240 
1 1 1 10  29 9  o 44.16700 4.400356 97.73238       18.77071 140.4000       56.56865 92.45316       19.89809 50.22926 11.72079 42.84372 4.828815 7.385540       12.67653 
1 1 1 10  29 10 o 30.76237 5.926644 49.02318       17.19855 -13.24000      54.79616 55.82702       18.11388 24.70809 11.05051 32.90173 5.838340 -8.193638      12.49800 
1 1 1 10  29 11 o 27.59659 6.345460 39.88380       16.78211 61.63000       55.47832 37.69348       17.60700 34.99905 12.63713 26.77848 6.726932 8.220566       14.31603 
1 1 1 10  29 12 o 43.84348 4.404678 96.43044       18.64695 53.90000       56.19936 101.6919       19.76674 33.72936 12.62568 44.99897 4.550179 -11.26960      13.42058 
1 1 1 10  29 13 o 35.95250 5.036630 65.74438       17.23899 -14.73000      54.08634 74.84416       18.18756 24.28130 10.90983 38.42398 4.950700 -14.14268      11.98056 
1 1 1 10  29 14 o 68.42645 3.465237 232.0590       23.13380 222.0000       58.96851 233.8888       25.14997 64.30968 9.666593 68.62089 3.758691 -4.311211      10.37163 
1 1 1 10  29 15 o 21.31503 6.838016 22.79539       16.15898 -40.63000      48.62871 30.66801       17.13251 20.47759 9.604794 24.20605 6.897352 -3.728456      11.82478 
1 1 1 10  29 16 o 14.53795 6.047110 3.024999       14.21146 -7.146000      46.61726 4.067099       14.92174 23.22582 10.30184 15.11290 6.232973 8.112921       12.04067 
1 1 1 10  29 17 o 32.00459 5.422226 52.78876       16.38038 0.000000       0.000000 52.78876       16.38038 ?        ?        32.00459 5.422226 ?              ?        
1 1 1 10  29 18 o 60.41042 4.459915 182.9269       26.18615 0.000000       0.000000 182.9269       26.18615 ?        ?        60.41042 4.459915 ?              ?        
1 1 1 10  29 19 o 69.17425 4.959651 241.1000       33.35877 0.000000       0.000000 241.1000       33.35877 ?        ?        69.17425 4.959651 ?              ?        
1 1 1 10  29 20 o 14.26172 6.631771 -17.97335      22.38042 -17.21000      41.12720 -18.29450      26.67602 20.53491 9.341361 15.87795 7.333344 4.656960       11.87598 
1 1 1 10  29 21 o 49.62205 5.467688 125.7484       26.11765 111.6000       42.61798 134.2578       33.05139 44.67071 9.996859 50.72691 6.829861 -6.056206      12.10720 
1 1 1 10  29 22 o 28.91365 5.319734 43.46647       14.50102 100.3000       36.61550 32.89431       15.79227 42.62651 9.055398 24.87191 6.437439 17.75460       11.11039 
1 1 1 10  29 23 o 21.96511 7.899903 22.66325       21.65521 23.18000       30.69360 22.15108       30.55704 23.79841 9.227343 23.55965 9.186522 0.2387638      13.02060 
1 1 1 10  29 24 o 67.46105 3.870750 227.8943       25.45233 0.000000       0.000000 227.8943       25.45233 ?        ?        67.46105 3.870750 ?              ?        
1 1 1 10  29 25 f 80.36533 3.072566 320.8158       24.12545 310.3000       41.35386 326.2413       29.70413 77.81088 5.464362 80.74501 3.768727 -2.934128      6.637963 
1 1 1 10  29 26 o 31.85277 5.825480 53.65265       17.49380 0.000000       0.000000 53.65265       17.49380 ?        ?        31.85277 5.825480 ?              ?        
1 1 1 10  29 27 o 67.96737 5.802323 239.8914       38.23308 0.000000       0.000000 239.8914       38.23308 ?        ?        67.96737 5.802323 ?              ?        
1 1 1 10  29 28 o 63.70216 6.018883 212.2198       37.08482 0.000000       0.000000 212.2198       37.08482 ?        ?        63.70216 6.018883 ?              ?        
1 1 1 10  29 29 o 35.06622 9.090261 71.41801       31.45660 0.000000       0.000000 71.41801       31.45660 ?        ?        35.06622 9.090261 ?              ?        
1 1 1 10  29 30 o 20.00939 8.666833 4.239000       31.28390 0.000000       0.000000 4.239000       31.28390 ?        ?        20.00939 8.666833 ?              ?        
1 1 1 10  29 31 o 47.68781 7.220908 124.0388       32.65220 0.000000       0.000000 124.0388       32.65220 ?        ?        47.68781 7.220908 ?              ?        
1 1 1 10  29 32 o 67.19405 11.61080 281.1000       73.60484 0.000000       0.000000 281.1000       73.60484 ?        ?        67.19405 11.61080 ?              ?        
1 1 1 10  29 33 o 57.59459 6.465132 177.7038       35.81878 0.000000       0.000000 177.7038       35.81878 ?        ?        57.59459 6.465132 ?              ?        
1 1 1 10  29 34 o 30.94815 9.124570 57.02552       29.52047 0.000000       0.000000 57.02552       29.52047 ?        ?        30.94815 9.124570 ?              ?        
1 1 1 10  29 35 o 18.68779 8.045291 5.108813       26.63689 0.000000       0.000000 5.108813       26.63689 ?        ?        18.68779 8.045291 ?              ?        
1 1 1 10  29 36 o 44.46318 7.524044 111.2697       31.57917 0.000000       0.000000 111.2697       31.57917 ?        ?        44.46318 7.524044 ?              ?        
1 1 1 10  29 37 o 34.46188 9.116333 72.13503       31.22103 0.000000       0.000000 72.13503       31.22103 ?        ?        34.46188 9.116333 ?              ?        
1 1 1 10  29 38 o 28.86144 9.121737 50.58794       28.84232 0.000000       0.000000 50.58794       28.84232 ?        ?        28.86144 9.121737 ?              ?        
1 1 1 10  29 39 o 21.83632 8.709394 21.28274       28.02757 0.000000       0.000000 21.28274       28.02757 ?        ?        21.83632 8.709394 ?              ?        
1 1 1 10  29 40 o 24.45482 9.021975 33.32906       28.50065 0.000000       0.000000 33.32906       28.50065 ?        ?        24.45482 9.021975 ?              ?        
1 1 1 10  29 41 o 38.43977 8.342793 87.41985       30.48748 0.000000       0.000000 87.41985       30.48748 ?        ?        38.43977 8.342793 ?              ?        
1 1 1 10  29 42 o 24.24632 10.81888 13.95000       52.20233 0.000000       0.000000 13.95000       52.20233 ?        ?        24.24632 10.81888 ?              ?        
1 1 1 10  29 43 f 11.13933 5.568206 -60.72157      25.18785 0.000000       0.000000 -60.72157      25.18785 ?        ?        11.13933 5.568206 ?              ?        
1 1 1 10  29 44 o 17.98509 7.859653 3.472218       26.21283 0.000000       0.000000 3.472218       26.21283 ?        ?        17.98509 7.859653 ?              ?        
1 1 1 10  29 45 f 18.12994 7.894853 4.721538       26.24723 0.000000       0.000000 4.721538       26.24723 ?        ?        18.12994 7.894853 ?              ?        
1 1 1 10  29 46 o 15.87708 7.234397 -6.930174      24.79507 0.000000       0.000000 -6.930174      24.79507 ?        ?        15.87708 7.234397 ?              ?        
1 1 1 10  29 47 o 28.66306 8.836138 52.13029       27.24321 0.000000       0.000000 52.13029       27.24321 ?        ?        28.66306 8.836138 ?              ?        
1 1 1 10  30 0  o 97.91058 3.594170 474.3409       34.38720 0.000000       0.000000 474.3409       34.38720 ?        ?        97.91058 3.594170 ?              ?        
1 1 1 10  30 1  o 70.99601 3.706165 249.8904       25.66602 0.000000       0.000000 249.8904       25.66602 ?        ?        70.99601 3.706165 ?              ?        
1 1 1 10  30 2  o 110.6396 3.344904 604.7054       36.18274 543.1000       79.15612 620.9777       40.68164 102.6599 7.938944 111.9985 3.716051 -9.338623      8.765607 
1 1 1 10  30 3  o 95.10522 3.960284 448.7130       36.78625 410.2000       70.65832 463.0333       43.08595 88.97647 8.205377 96.39643 4.579437 -7.419960      9.396779 
1 1 1 10  30 4  o 77.44102 4.024172 297.9395       30.39914 376.4000       65.89156 276.7239       34.26346 85.30923 7.983659 74.41335 4.728533 10.89587       9.278893 
1 1 1 10  30 5  o 49.32359 5.011408 122.5642       23.85917 150.4000       56.16740 116.4355       26.35518 52.05844 11.34399 47.84922 5.741645 4.209229       12.71427 
1 1 1 10  30 6  o 52.11576 4.038481 135.4125       20.44060 143.8000       56.02792 134.1247       21.95377 50.75325 11.54001 51.78459 4.371945 -1.031342      12.34042 
1 1 1 10  30 7  o 63.20091 3.639565 198.1955       22.42015 173.4000       59.13210 202.3585       24.22925 56.02320 11.17526 63.79972 3.898462 -7.776527      11.83572 
1 1 1 10  30 8  o 24.66974 6.928642 31.86395       17.41608 11.08000       52.96487 34.38365       18.44159 26.95581 11.46804 25.58103 7.109760 1.374788       13.49313 
1 1 1 10  30 9  o 55.70613 3.897336 154.5335       21.11683 142.1000       57.71598 156.4551       22.69007 50.09476 11.94026 55.98375 4.170604 -5.888988      12.64768 
1 1 1 10  30 10 o 41.12907 4.727257 85.41705       18.68549 78.75000       53.93274 86.32648       19.91918 37.75091 12.51820 41.26632 5.035561 -3.515408      13.49304 
1 1 1 10  30 11 o 50.20015 4.132564 125.9841       20.12664 94.80000       56.20182 130.5716       21.55629 40.78593 12.71107 51.05341 4.355178 -10.26748      13.43648 
1 1 1 10  30 12 o 90.10011 3.315886 401.7768       29.19373 397.4000       69.44863 402.7162       32.17453 87.16361 8.237686 90.09779 3.655904 -2.934181      9.012497 
1 1 1 10  30 13 o 54.94226 4.064770 150.7650       21.70512 184.2000       56.62446 145.0062       23.50013 57.90362 10.37152 53.75290 4.507933 4.150719       11.30885 
1 1 1 10  30 14 o 34.25499 5.611039 60.51478       18.16288 78.68000       51.76627 57.96461       19.39594 37.46931 12.25663 33.34365 6.169996 4.125656       13.72202 
1 1 1 10  30 15 f 32.89799 5.552456 55.89678       17.24395 80.52000       47.62189 52.18105       18.49934 37.74950 11.69033 31.57233 6.207450 6.177166       13.23617 
1 1 1 10  30 16 o 57.74344 4.260464 167.0169       23.91094 230.1000       51.73249 149.8792       26.96396 65.97816 8.185935 54.40311 5.123873 11.57505       9.657309 
1 1 1 10  30 17 o 65.12553 3.959149 211.7099       25.11903 240.7000       51.33710 202.5846       28.80233 67.58943 7.909107 63.45947 4.669570 4.129959       9.184709 
1 1 1 10  30 18 o 23.37190 6.276949 28.82647       14.66229 0.000000       0.000000 28.82647       14.66229 ?        ?        23.37190 6.276949 ?              ?        
1 1 1 10  30 19 o 60.14806 3.860773 180.7311       22.61011 0.000000       0.000000 180.7311       22.61011 ?        ?        60.14806 3.860773 ?              ?        
1 1 1 10  30 20 o 92.94041 4.088977 432.0758       37.10746 492.5000       62.99783 399.9733       45.91866 97.56077 6.636473 88.75910 5.309576 8.801666       8.499080 
1 1 1 10  30 21 o 46.04214 8.941754 117.2000       38.84512 117.2000       38.84512 0.000000       0.000000 46.04214 8.941754 ?        ?        ?              ?        
1 1 1 10  30 22 o 29.92199 5.726959 47.12701       16.16261 0.000000       0.000000 47.12701       16.16261 ?        ?        29.92199 5.726959 ?              ?        
1 1 1 10  30 23 o 28.78567 5.225269 43.31295       14.18075 94.82000       27.49921 24.65415       16.55117 42.14165 6.905535 21.73264 6.915020 20.40902       9.772610 
1 1 1 10  30 24 o 63.90746 3.223135 203.6361       20.09703 173.9000       33.75974 219.9581       25.01166 57.70111 6.068062 66.15608 3.879509 -8.454967      7.202219 
1 1 1 10  30 25 o 54.79691 3.134864 149.7953       16.74422 158.6000       27.53662 144.6297       21.09157 55.53433 5.123466 53.50002 4.057885 2.034309       6.535773 
1 1 1 10  30 26 o 34.29599 9.173773 68.10783       31.39609 0.000000       0.000000 68.10783       31.39609 ?        ?        34.29599 9.173773 ?              ?        
1 1 1 10  30 27 o 87.85686 5.377037 398.3783       46.01928 0.000000       0.000000 398.3783       46.01928 ?        ?        87.85686 5.377037 ?              ?        
1 1 1 10  30 28 o 39.57888 9.646608 92.55000       37.02617 0.000000       0.000000 92.55000       37.02617 ?        ?        39.57888 9.646608 ?              ?        
1 1 1 10  30 29 o 23.86588 9.090890 27.41949       29.42858 0.000000       0.000000 27.41949       29.42858 ?        ?        23.86588 9.090890 ?              ?        
1 1 1 10  30 30 o 50.00684 7.500699 137.6685       35.58340 0.000000       0.000000 137.6685       35.58340 ?        ?        50.00684 7.500699 ?              ?        
1 1 1 10  30 31 o 28.58836 12.18267 35.91000       59.94409 0.000000       0.000000 35.91000       59.94409 ?        ?        28.58836 12.18267 ?              ?        
1 1 1 10  30 32 o 45.71974 7.296790 115.5438       31.55737 0.000000       0.000000 115.5438       31.55737 ?        ?        45.71974 7.296790 ?              ?        
1 1 1 10  30 33 o 20.58024 8.425625 14.82846       27.00870 0.000000       0.000000 14.82846       27.00870 ?        ?        20.58024 8.425625 ?              ?        
1 1 1 10  30 34 o 35.94675 8.574244 76.08788       29.74487 0.000000       0.000000 76.08788       29.74487 ?        ?        35.94675 8.574244 ?              ?        
1 1 1 10  30 35 o 29.29181 9.067647 51.87152       28.65433 0.000000       0.000000 51.87152       28.65433 ?        ?        29.29181 9.067647 ?              ?        
1 1 1 10  30 36 o 27.60867 9.300385 45.87672       29.75229 0.000000       0.000000 45.87672       29.75229 ?        ?        27.60867 9.300385 ?              ?        
1 1 1 10  30 37 o 35.41077 8.633600 75.08324       29.65055 0.000000       0.000000 75.08324       29.65055 ?        ?        35.41077 8.633600 ?              ?        
1 1 1 10  30 38 o 22.28279 8.734918 23.89458       27.74767 0.000000       0.000000 23.89458       27.74767 ?        ?        22.28279 8.734918 ?              ?        
1 1 1 10  30 39 o 20.74964 8.822870 12.61000       31.31979 0.000000       0.000000 12.61000       31.31979 ?        ?        20.74964 8.822870 ?              ?        
1 1 1 10  30 40 o 14.30773 6.799816 -24.08271      25.89895 0.000000       0.000000 -24.08271      25.89895 ?        ?        14.30773 6.799816 ?              ?        
1 1 1 10  30 41 o 23.35363 10.60762 4.883000       52.78537 0.000000       0.000000 4.883000       52.78537 ?        ?        23.35363 10.60762 ?              ?        
1 1 1 10  30 42 o 19.22287 8.181869 9.705389       26.98100 0.000000       0.000000 9.705389       26.98100 ?        ?        19.22287 8.181869 ?              ?        
1 1 1 10  30 43 o 29.45640 9.028780 53.84983       28.49437 0.000000       0.000000 53.84983       28.49437 ?        ?        29.45640 9.028780 ?              ?        
1 1 1 10  30 44 o 21.56459 8.535863 22.56372       26.72613 0.000000       0.000000 22.56372       26.72613 ?        ?        21.56459 8.535863 ?              ?        
1 1 1 10  30 45 o 19.76542 8.165948 15.15198       25.67166 0.000000       0.000000 15.15198       25.67166 ?        ?        19.76542 8.165948 ?              ?        
1 1 1 10  30 46 o 26.36058 8.783106 43.67318       26.54274 0.000000       0.000000 43.67318       26.54274 ?        ?        26.36058 8.783106 ?              ?        
1 1 1 10  31 0  o 106.7226 3.283555 563.1563       34.26019 599.8000       80.95947 555.1627       37.81282 107.7141 7.730117 105.8329 3.655649 1.881203       8.550935 
1 1 1 10  31 1  o 69.82798 3.748640 242.2166       25.52787 0.000000       0.000000 242.2166       25.52787 ?        ?        69.82798 3.748640 ?              ?        
1 1 1 10  31 2  o 29.53979 6.414601 45.81868       18.01492 0.000000       0.000000 45.81868       18.01492 ?        ?        29.53979 6.414601 ?              ?        
1 1 1 10  31 3  o 93.70750 3.312390 434.4244       30.33461 455.3000       71.77257 429.8844       33.47107 93.63897 7.904360 93.09895 3.680231 0.5400238      8.719118 
1 1 1 10  31 4  o 37.26479 6.197092 71.93809       21.81083 66.53000       53.66108 73.00835       23.87165 35.42139 12.46712 37.35994 6.777365 -1.938549      14.19020 
1 1 1 10  31 5  o 62.39517 4.434897 194.7929       26.90920 287.3000       61.05634 172.4927       29.97768 73.82191 8.611187 58.41968 5.300048 15.40223       10.11153 
1 1 1 10  31 6  o 95.56357 3.337271 451.9872       31.16900 470.9000       73.21077 447.8002       34.44683 95.14526 7.933196 94.99417 3.711784 0.1510849      8.758593 
1 1 1 10  31 7  o 50.72834 4.210355 128.8277       20.71805 73.20000       55.54385 137.8181       22.32957 36.62434 12.69795 52.42944 4.391407 -15.80510      13.43586 
1 1 1 10  31 8  o 40.60896 4.915347 83.63671       19.14093 26.88000       54.95984 91.47115       20.41931 29.17980 11.99077 42.46538 5.008721 -13.28558      12.99484 
1 1 1 10  31 9  o 71.10619 3.543545 250.9750       24.58561 276.7000       63.34885 246.4132       26.67658 71.93407 9.207863 70.35464 3.888875 1.579430       9.995403 
1 1 1 10  31 10 o 44.83604 4.577962 101.3270       19.80955 73.52000       54.48132 105.5633       21.26505 36.53415 12.58013 45.70043 4.826622 -9.166283      13.47427 
1 1 1 10  31 11 o 25.54982 6.970373 34.56399       17.91234 22.66000       51.87019 36.17579       19.08652 27.99964 11.59140 26.11274 7.223716 1.886896       13.65806 
1 1 1 10  31 12 o 39.27147 5.248075 78.81123       19.66906 125.1000       53.45633 71.56317       21.15301 46.59634 11.73017 37.14538 6.023995 9.450962       13.18656 
1 1 1 10  31 13 o 39.47253 5.242685 79.66994       19.75565 76.21000       52.49869 80.24072       21.32301 36.74172 12.35410 39.47279 5.682295 -2.731075      13.59824 
1 1 1 10  31 14 o 58.27953 3.841823 169.5372       21.79368 130.8000       55.46222 176.6107       23.70008 47.36073 11.96245 59.40816 4.100817 -12.04744      12.64582 
1 1 1 10  31 15 o 69.28857 4.132968 240.1519       27.90306 300.6000       55.82470 220.0204       32.21611 75.68134 7.640335 65.96784 5.027101 9.713493       9.145844 
1 1 1 10  31 16 o 26.62645 7.106645 37.96373       18.86686 34.92000       42.98558 38.68999       20.99746 28.18906 10.92251 26.84761 7.631114 1.341448       13.32423 
1 1 1 10  31 17 o 82.03710 3.358736 334.3878       26.91368 285.5000       54.76578 349.9537       30.90273 73.46245 7.731984 83.76247 3.778862 -10.30002      8.606009 
1 1 1 10  31 18 o 52.97088 4.085174 141.0096       21.01783 0.000000       0.000000 141.0096       21.01783 ?        ?        52.97088 4.085174 ?              ?        
1 1 1 10  31 19 o 46.52770 4.497262 109.7467       20.22669 0.000000       0.000000 109.7467       20.22669 ?        ?        46.52770 4.497262 ?              ?        
1 1 1 10  31 20 o 37.27720 6.693921 74.12182       23.52715 108.5000       36.45506 49.58206       30.80006 44.16208 8.742880 29.79750 9.427336 14.36458       12.85740 
1 1 1 10  31 21 o 73.57402 3.165336 269.4094       22.74225 288.5000       43.84386 262.3821       26.60067 74.53089 6.062189 72.35564 3.768893 2.175255       7.138255 
1 1 1 10  31 22 o 24.28611 5.690151 31.49384       13.28850 75.11000       27.11171 17.70247       15.24533 36.86451 7.759409 19.07382 6.650154 17.79069       10.21924 
1 1 1 10  31 23 o 35.74571 4.852295 66.02189       16.53968 64.86000       26.01664 66.81000       21.42702 34.06085 7.949162 35.29601 6.439159 -1.235165      10.22995 
1 1 1 10  31 24 o 55.46491 3.211395 153.7215       17.36029 152.6000       28.68163 154.3699       21.80898 54.22070 5.479320 55.24537 4.061435 -1.024670      6.820426 
1 1 1 10  31 25 o 26.52712 5.699335 37.65969       14.35728 0.000000       0.000000 37.65969       14.35728 ?        ?        26.52712 5.699335 ?              ?        
1 1 1 10  31 26 o 55.73581 6.694439 166.3140       35.79190 0.000000       0.000000 166.3140       35.79190 ?        ?        55.73581 6.694439 ?              ?        
1 1 1 10  31 27 o 70.60372 7.059610 269.0000       48.13462 0.000000       0.000000 269.0000       48.13462 ?        ?        70.60372 7.059610 ?              ?        
1 1 1 10  31 28 o 35.93532 8.906485 75.37431       31.16894 0.000000       0.000000 75.37431       31.16894 ?        ?        35.93532 8.906485 ?              ?        
1 1 1 10  31 29 o 44.88454 13.64083 143.0000       65.22245 0.000000       0.000000 143.0000       65.22245 ?        ?        44.88454 13.64083 ?              ?        
1 1 1 10  31 30 o 32.11757 9.292006 61.68593       30.86876 0.000000       0.000000 61.68593       30.86876 ?        ?        32.11757 9.292006 ?              ?        
1 1 1 10  31 31 o 31.17957 8.930099 57.83618       28.64706 0.000000       0.000000 57.83618       28.64706 ?        ?        31.17957 8.930099 ?              ?        
1 1 1 10  31 32 o 21.19876 8.479359 18.55679       26.64329 0.000000       0.000000 18.55679       26.64329 ?        ?        21.19876 8.479359 ?              ?        
1 1 1 10  31 33 o 43.41805 7.475576 106.2677       30.62420 0.000000       0.000000 106.2677       30.62420 ?        ?        43.41805 7.475576 ?              ?        
1 1 1 10  31 34 o 25.64307 9.100908 37.91914       28.64328 0.000000       0.000000 37.91914       28.64328 ?        ?        25.64307 9.100908 ?              ?        
1 1 1 10  31 35 o 33.33414 9.022765 67.99110       30.15322 0.000000       0.000000 67.99110       30.15322 ?        ?        33.33414 9.022765 ?              ?        
1 1 1 10  31 36 o 16.70391 7.559204 -6.260783      26.50737 0.000000       0.000000 -6.260783      26.50737 ?        ?        16.70391 7.559204 ?              ?        
1 1 1 10  31 37 o 30.46846 9.062836 57.18707       29.01823 0.000000       0.000000 57.18707       29.01823 ?        ?        30.46846 9.062836 ?              ?        
1 1 1 10  31 38 o 32.30867 10.02015 67.21000       34.97189 0.000000       0.000000 67.21000       34.97189 ?        ?        32.30867 10.02015 ?              ?        
1 1 1 10  31 39 o 32.10750 9.012476 63.61726       29.47620 0.000000       0.000000 63.61726       29.47620 ?        ?        32.10750 9.012476 ?              ?        
1 1 1 10  31 40 o 36.71344 12.86489 102.7000       57.09678 0.000000       0.000000 102.7000       57.09678 ?        ?        36.71344 12.86489 ?              ?        
1 1 1 10  31 41 o 66.30938 5.875830 237.1378       37.74297 0.000000       0.000000 237.1378       37.74297 ?        ?        66.30938 5.875830 ?              ?        
1 1 1 10  31 42 o 20.29627 8.402944 15.47769       27.26170 0.000000       0.000000 15.47769       27.26170 ?        ?        20.29627 8.402944 ?              ?        
1 1 1 10  31 43 o 42.66054 7.458458 105.2554       30.01118 0.000000       0.000000 105.2554       30.01118 ?        ?        42.66054 7.458458 ?              ?        
1 1 1 10  31 44 f 28.88490 8.863377 52.75069       27.45040 0.000000       0.000000 52.75069       27.45040 ?        ?        28.88490 8.863377 ?              ?        
1 1 1 10  31 45 o 29.17160 8.836062 54.47152       27.39869 0.000000       0.000000 54.47152       27.39869 ?        ?        29.17160 8.836062 ?              ?        
1 1 1 10  32 0  o 87.23873 3.281072 376.8715       27.96769 393.1000       68.94855 373.6754       30.59799 86.50636 8.242244 86.76083 3.610883 -0.2544632     8.998504 
1 1 1 10  32 1  o 50.79781 4.040393 129.0555       19.92435 133.6000       55.95385 128.3956       21.32193 48.17172 11.92981 50.58171 4.348692 -2.409996      12.69770 
1 1 1 10  32 2  o 67.42670 3.832563 226.3773       25.19042 0.000000       0.000000 226.3773       25.19042 ?        ?        67.42670 3.832563 ?              ?        
1 1 1 10  32 3  o 93.48077 3.728044 434.1491       34.04377 0.000000       0.000000 434.1491       34.04377 ?        ?        93.48077 3.728044 ?              ?        
1 1 1 10  32 4  o 53.84372 4.098126 145.0180       21.43641 85.91000       55.00373 155.6035       23.27689 38.77097 12.63096 55.72512 4.300697 -16.95415      13.34305 
1 1 1 10  32 5  o 37.24777 6.646766 72.72969       23.34445 138.9000       54.16117 57.63199       25.87092 49.34587 11.43694 32.64734 8.127538 16.69853       14.03070 
1 1 1 10  32 6  o 20.62027 7.703906 17.75104       20.90358 45.75000       49.84696 11.77650       23.02607 31.15366 11.83992 19.71689 7.884071 11.43677       14.22471 
1 1 1 10  32 7  o 48.94046 4.333265 120.3633       20.54390 86.53000       53.44470 126.2293       22.25368 38.75496 12.43615 50.04827 4.593820 -11.29331      13.25748 
1 1 1 10  32 8  o 64.10625 3.741419 204.7506       23.37498 195.6000       59.24949 206.4373       25.43833 59.19659 10.61542 64.26897 4.064540 -5.072372      11.36695 
1 1 1 10  32 9  f 34.93293 5.879014 63.41993       19.38917 47.91000       53.37676 65.77759       20.81072 31.76858 12.20783 35.47610 6.219646 -3.707523      13.70091 
1 1 1 10  32 10 o 54.69823 4.126795 149.9370       21.93195 141.8000       56.38225 151.3877       23.80690 49.37125 11.82336 54.85267 4.472826 -5.481415      12.64112 
1 1 1 10  32 11 o 51.38360 4.589224 133.2070       22.83911 183.8000       55.63707 122.9536       25.04673 57.41522 10.27729 49.10763 5.294261 8.307590       11.56079 
1 1 1 10  32 12 o 25.87464 6.905696 35.74658       17.81544 38.26000       49.87628 35.37901       19.07372 29.67760 11.68760 25.73799 7.258710 3.939613       13.75823 
1 1 1 10  32 13 o 86.55405 3.434192 372.3332       29.03724 384.3000       64.46806 369.2877       32.52304 85.30519 7.807285 86.02103 3.872535 -0.7158356     8.714943 
1 1 1 10  32 14 o 17.16484 7.088140 6.154287       19.32967 22.87000       42.27258 1.735239       21.73505 25.88968 10.56318 17.07816 7.308320 8.811514       12.84493 
1 1 1 10  32 15 o 43.19766 4.550413 94.71861       18.95186 125.1000       43.97726 87.78948       21.00215 47.01932 9.870303 41.30184 5.318339 5.717480       11.21194 
1 1 1 10  32 16 o 89.31836 3.330290 396.8580       29.06483 374.2000       57.76582 404.5385       33.63209 84.39270 7.057507 89.94699 3.828737 -5.554291      8.029174 
1 1 1 10  32 17 o 25.25545 6.433002 34.28176       15.94441 -11.37000      36.15822 45.30139       17.76485 19.50289 8.826997 29.06970 6.415430 -9.566809      10.91209 
1 1 1 10  32 18 o 64.82976 3.967179 211.2762       25.05405 0.000000       0.000000 211.2762       25.05405 ?        ?        64.82976 3.967179 ?              ?        
1 1 1 10  32 19 o 66.44099 3.878487 221.9150       25.11379 0.000000       0.000000 221.9150       25.11379 ?        ?        66.44099 3.878487 ?              ?        
1 1 1 10  32 20 o 10.64248 5.221607 -34.88404      18.61342 -31.68000      25.37990 -38.61310      27.38049 13.68111 6.564177 13.76703 6.658409 -0.8592415E-01 9.350018 
1 1 1 10  32 21 o 18.29403 6.046882 16.91740       12.58727 0.4633000      26.34846 21.78296       14.32797 18.11925 7.899823 20.37907 6.427649 -2.259821      10.18439 
1 1 1 10  32 22 o 38.56664 3.992780 75.56593       14.85502 88.26000       26.76491 69.91477       17.85806 40.29610 7.041926 36.65649 5.116308 3.639603       8.704329 
1 1 1 10  32 23 o 33.58827 4.222537 57.81702       13.57643 57.52000       23.70761 57.96196       16.56083 32.03074 7.664285 33.23325 5.266378 -1.202518      9.299247 
1 1 1 10  32 24 o 62.00041 3.082938 191.9385       18.65096 195.6000       30.40997 189.7307       23.61369 61.55689 5.092523 61.25041 3.959882 0.3064842      6.450927 
1 1 1 10  32 25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  32 26 o 55.49215 8.572073 174.7000       45.06247 0.000000       0.000000 174.7000       45.06247 ?        ?        55.49215 8.572073 ?              ?        
1 1 1 10  32 27 o 19.06917 8.301221 3.039930       28.99942 0.000000       0.000000 3.039930       28.99942 ?        ?        19.06917 8.301221 ?              ?        
1 1 1 10  32 28 o 49.03406 13.79628 172.3000       68.98739 0.000000       0.000000 172.3000       68.98739 ?        ?        49.03406 13.79628 ?              ?        
1 1 1 10  32 29 o 23.54631 8.943890 27.94785       28.43474 0.000000       0.000000 27.94785       28.43474 ?        ?        23.54631 8.943890 ?              ?        
1 1 1 10  32 30 o 50.68173 6.861228 140.6027       33.16424 0.000000       0.000000 140.6027       33.16424 ?        ?        50.68173 6.861228 ?              ?        
1 1 1 10  32 31 o 22.40843 8.736588 23.89847       27.63449 0.000000       0.000000 23.89847       27.63449 ?        ?        22.40843 8.736588 ?              ?        
1 1 1 10  32 32 o 23.75929 8.837996 30.47972       27.45223 0.000000       0.000000 30.47972       27.45223 ?        ?        23.75929 8.837996 ?              ?        
1 1 1 10  32 33 o 23.93741 8.921127 31.26181       27.99664 0.000000       0.000000 31.26181       27.99664 ?        ?        23.93741 8.921127 ?              ?        
1 1 1 10  32 34 o 19.09264 8.183822 7.891052       27.33680 0.000000       0.000000 7.891052       27.33680 ?        ?        19.09264 8.183822 ?              ?        
1 1 1 10  32 35 o 32.19355 8.926295 63.34624       29.10705 0.000000       0.000000 63.34624       29.10705 ?        ?        32.19355 8.926295 ?              ?        
1 1 1 10  32 36 o 20.75266 8.484676 17.22517       27.34233 0.000000       0.000000 17.22517       27.34233 ?        ?        20.75266 8.484676 ?              ?        
1 1 1 10  32 37 o 15.61911 7.388666 -23.37000      29.89879 0.000000       0.000000 -23.37000      29.89879 ?        ?        15.61911 7.388666 ?              ?        
1 1 1 10  32 38 o 26.74760 9.254614 43.47581       29.49777 0.000000       0.000000 43.47581       29.49777 ?        ?        26.74760 9.254614 ?              ?        
1 1 1 10  32 39 o 28.70530 9.361697 51.53376       30.21135 0.000000       0.000000 51.53376       30.21135 ?        ?        28.70530 9.361697 ?              ?        
1 1 1 10  32 40 o 37.79322 8.585315 86.64588       31.03428 0.000000       0.000000 86.64588       31.03428 ?        ?        37.79322 8.585315 ?              ?        
1 1 1 10  32 41 o 51.36055 6.585429 146.5464       32.34620 0.000000       0.000000 146.5464       32.34620 ?        ?        51.36055 6.585429 ?              ?        
1 1 1 10  32 42 o 32.36499 8.870241 65.78347       28.93082 0.000000       0.000000 65.78347       28.93082 ?        ?        32.36499 8.870241 ?              ?        
1 1 1 10  32 43 o 37.82550 8.083679 86.45254       29.02149 0.000000       0.000000 86.45254       29.02149 ?        ?        37.82550 8.083679 ?              ?        
1 1 1 10  32 44 o 22.68812 8.702664 29.14557       27.09197 0.000000       0.000000 29.14557       27.09197 ?        ?        22.68812 8.702664 ?              ?        
1 1 1 10  33 0  o 60.99487 3.710495 185.5041       22.04814 120.9000       56.32202 197.1961       23.96035 45.16481 12.37564 62.82945 3.915504 -17.66464      12.98028 
1 1 1 10  33 1  o 29.89986 6.078031 47.02350       17.18153 4.854000       50.07946 52.64938       18.29176 25.12719 10.92394 31.66559 6.122988 -6.538393      12.52292 
1 1 1 10  33 2  o 24.44154 6.873302 31.68598       17.12755 27.68000       50.19363 32.21390       18.22119 28.16618 11.50341 24.65121 7.141135 3.514969       13.53973 
1 1 1 10  33 3  o 67.89285 3.915085 230.1847       25.90751 0.000000       0.000000 230.1847       25.90751 ?        ?        67.89285 3.915085 ?              ?        
1 1 1 10  33 4  o 20.86837 7.268029 20.83063       18.20722 0.000000       0.000000 20.83063       18.20722 ?        ?        20.86837 7.268029 ?              ?        
1 1 1 10  33 5  o 72.40524 3.603498 260.9663       25.45855 208.8000       59.64454 272.5879       28.15189 61.17115 10.32874 73.89597 3.905941 -12.72483      11.04261 
1 1 1 10  33 6  o 52.05144 5.105340 137.7465       25.67716 89.80000       52.88181 152.5379       29.37202 39.06647 12.35194 54.60939 5.572940 -15.54292      13.55094 
1 1 1 10  33 7  o 104.1332 4.075711 541.8027       41.46285 520.5000       74.32906 551.4261       49.95787 99.50269 7.691298 104.5854 4.893648 -5.082657      9.116132 
1 1 1 10  33 8  o 50.46639 4.247598 128.1890       20.78767 124.4000       50.92662 128.9466       22.77109 46.15813 11.35186 50.47557 4.661526 -4.317440      12.27169 
1 1 1 10  33 9  o 67.34248 4.014357 227.1466       26.34122 300.9000       58.75698 208.5952       29.46843 75.05975 8.126829 64.24284 4.719188 10.81691       9.397664 
1 1 1 10  33 10 o 66.37284 4.045216 220.9027       26.15598 259.9000       57.85907 210.8862       29.32332 69.16968 8.740541 64.58826 4.669774 4.581421       9.909785 
1 1 1 10  33 11 o 60.90124 3.883435 185.8367       23.02925 175.5000       53.60674 188.1761       25.50245 55.60246 10.22634 61.13021 4.289285 -5.527760      11.08945 
1 1 1 10  33 12 o 13.88826 6.450387 -15.96945      21.07511 32.85000       43.56927 -30.88132      24.07964 27.52997 10.89811 13.35895 6.405442 14.17102       12.64114 
1 1 1 10  33 13 o 15.65761 6.957443 -4.929418      21.35843 14.64000       42.71685 -11.45256      24.66258 24.48277 10.35239 15.87979 7.227647 8.602978       12.62580 
1 1 1 10  33 14 o 66.48697 3.601977 221.1124       23.35387 244.0000       50.68680 214.9442       26.31332 67.27870 7.843776 65.32687 4.136312 1.951836       8.867576 
1 1 1 10  33 15 o 42.09922 4.635655 90.57816       18.78675 36.46000       41.27142 104.7227       21.09948 27.57884 10.69799 45.21630 4.842613 -17.63747      11.74300 
1 1 1 10  33 16 o 23.52756 8.007940 28.90736       22.06089 41.51000       36.39080 21.58473       27.73923 27.93897 10.21334 22.55286 8.764359 5.386103       13.45831 
1 1 1 10  33 17 o 51.17119 4.556779 133.5728       22.58540 0.000000       0.000000 133.5728       22.58540 ?        ?        51.17119 4.556779 ?              ?        
1 1 1 10  33 18 o 39.43661 5.248173 80.90032       19.75636 0.000000       0.000000 80.90032       19.75636 ?        ?        39.43661 5.248173 ?              ?        
1 1 1 10  33 19 o 53.60797 4.247215 145.9596       22.10439 0.000000       0.000000 145.9596       22.10439 ?        ?        53.60797 4.247215 ?              ?        
1 1 1 10  33 20 o 24.39678 7.552379 32.66116       19.87777 52.62000       26.57868 7.327898       29.94410 30.28278 8.578259 20.15917 8.601143 10.12361       12.14768 
1 1 1 10  33 21 o 36.51200 4.108948 68.07680       14.43031 68.26000       26.35855 67.99839       17.24400 34.77696 7.920963 36.13697 5.009625 -1.360012      9.372193 
1 1 1 10  33 22 o 20.06174 5.946913 21.48522       12.51182 12.85000       22.53717 25.33237       15.04293 19.28309 7.769025 21.66782 6.543875 -2.384726      10.15776 
1 1 1 10  33 23 o 41.33865 3.657408 86.44336       14.64659 95.68000       24.75364 81.46755       18.16828 42.32869 6.154635 39.67504 4.774145 2.653648       7.789223 
1 1 1 10  33 24 o 22.25584 5.012212 26.37775       10.65553 21.09000       17.58550 29.44542       13.39442 20.39279 7.140122 23.29708 5.875591 -2.904287      9.246833 
1 1 1 10  33 25 o 78.13235 5.827059 321.2689       44.24334 0.000000       0.000000 321.2689       44.24334 ?        ?        78.13235 5.827059 ?              ?        
1 1 1 10  33 26 o 28.30068 9.601586 47.18430       31.71231 0.000000       0.000000 47.18430       31.71231 ?        ?        28.30068 9.601586 ?              ?        
1 1 1 10  33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  33 28 o 55.27310 6.645994 166.0355       35.23623 0.000000       0.000000 166.0355       35.23623 ?        ?        55.27310 6.645994 ?              ?        
1 1 1 10  33 29 o 52.87400 6.767509 153.2925       34.22300 0.000000       0.000000 153.2925       34.22300 ?        ?        52.87400 6.767509 ?              ?        
1 1 1 10  33 30 o 46.63544 7.406680 122.7442       32.68098 0.000000       0.000000 122.7442       32.68098 ?        ?        46.63544 7.406680 ?              ?        
1 1 1 10  33 31 o 34.21154 8.774564 70.79673       29.52280 0.000000       0.000000 70.79673       29.52280 ?        ?        34.21154 8.774564 ?              ?        
1 1 1 10  33 32 o 45.51838 7.195294 116.7695       30.99411 0.000000       0.000000 116.7695       30.99411 ?        ?        45.51838 7.195294 ?              ?        
1 1 1 10  33 33 o 28.33023 9.053862 48.98353       28.34852 0.000000       0.000000 48.98353       28.34852 ?        ?        28.33023 9.053862 ?              ?        
1 1 1 10  33 34 o 18.97570 8.111403 8.478339       26.72084 0.000000       0.000000 8.478339       26.72084 ?        ?        18.97570 8.111403 ?              ?        
1 1 1 10  33 35 o 19.19989 8.434071 4.403000       30.53455 0.000000       0.000000 4.403000       30.53455 ?        ?        19.19989 8.434071 ?              ?        
1 1 1 10  33 36 o 36.17521 8.804321 79.95541       30.87651 0.000000       0.000000 79.95541       30.87651 ?        ?        36.17521 8.804321 ?              ?        
1 1 1 10  33 37 o 34.65464 12.68636 91.27000       56.17774 0.000000       0.000000 91.27000       56.17774 ?        ?        34.65464 12.68636 ?              ?        
1 1 1 10  33 38 o 27.66854 9.196949 47.68245       29.10662 0.000000       0.000000 47.68245       29.10662 ?        ?        27.66854 9.196949 ?              ?        
1 1 1 10  33 39 o 22.22183 8.757269 24.81686       28.01813 0.000000       0.000000 24.81686       28.01813 ?        ?        22.22183 8.757269 ?              ?        
1 1 1 10  33 40 f 24.57717 8.836203 35.85742       27.08981 0.000000       0.000000 35.85742       27.08981 ?        ?        24.57717 8.836203 ?              ?        
1 1 1 10  33 41 o 26.43425 8.984762 43.74104       27.76996 0.000000       0.000000 43.74104       27.76996 ?        ?        26.43425 8.984762 ?              ?        
1 1 1 10  33 42 o 18.27067 7.867385 8.186959       25.48223 0.000000       0.000000 8.186959       25.48223 ?        ?        18.27067 7.867385 ?              ?        
1 1 1 10  33 43 f 43.10701 7.447682 109.4829       30.28893 0.000000       0.000000 109.4829       30.28893 ?        ?        43.10701 7.447682 ?              ?        
1 1 1 10  34 0  o 23.43542 6.845407 29.21404       16.68126 46.49000       48.51923 26.89823       17.76415 30.50482 11.65996 22.68576 7.157259 7.819065       13.68141 
1 1 1 10  34 1  o 35.38124 5.439918 64.93472       18.23723 79.07000       50.36007 62.80118       19.56522 36.55619 12.09555 34.58254 5.997203 1.973652       13.50070 
1 1 1 10  34 2  o 26.14328 6.929829 36.83108       18.01738 59.61000       49.17720 33.29935       19.36382 32.83804 11.89226 24.92280 7.400806 7.915245       14.00706 
1 1 1 10  34 3  o 24.43460 6.905737 31.99373       17.24503 -18.79000      47.76588 39.60522       18.49227 21.74561 9.958664 27.08647 6.943142 -5.340864      12.14011 
1 1 1 10  34 4  o 36.45753 5.838411 69.47166       20.13193 0.000000       0.000000 69.47166       20.13193 ?        ?        36.45753 5.838411 ?              ?        
1 1 1 10  34 5  o 49.29027 4.799547 123.6803       22.86330 0.000000       0.000000 123.6803       22.86330 ?        ?        49.29027 4.799547 ?              ?        
1 1 1 10  34 6  o 32.90501 5.955576 57.05974       18.47593 29.75000       45.91069 62.33731       20.18236 27.33053 11.06090 34.31915 6.237686 -6.988617      12.69851 
1 1 1 10  34 7  o 47.51901 5.391880 116.3384       24.63640 81.84000       47.73220 128.8660       28.76385 36.92491 11.74248 49.74007 6.030971 -12.81516      13.20070 
1 1 1 10  34 8  o 57.53585 5.439801 170.2853       30.27194 226.9000       52.63332 142.3000       37.00503 64.35457 8.568256 51.40301 7.582103 12.95156       11.44130 
1 1 1 10  34 9  o 60.28907 3.886755 182.6032       22.81454 182.7000       52.47355 182.5806       25.33441 56.66526 9.815992 60.09737 4.335894 -3.432117      10.73097 
1 1 1 10  34 10 o 29.32006 6.716172 46.54887       18.85988 92.06000       46.90253 37.77081       20.59855 38.86003 11.51277 26.26540 7.587927 12.59464       13.78842 
1 1 1 10  34 11 o 40.69874 6.572861 88.31013       25.29237 83.15000       46.96786 90.41765       30.01623 36.84434 11.63969 40.52404 7.850837 -3.679695      14.03987 
1 1 1 10  34 12 o 27.86336 6.945809 42.48837       18.87631 49.60000       43.60107 40.84797       20.94049 30.02826 11.14419 27.17801 7.584560 2.850243       13.48030 
1 1 1 10  34 13 o 30.65009 6.520051 50.86895       18.95902 11.69000       42.40128 60.65929       21.19587 23.64864 10.16539 33.45605 6.706216 -9.807417      12.17819 
1 1 1 10  34 14 o 26.38839 8.064964 38.69889       22.75669 33.62000       39.07975 41.30468       27.99225 26.51851 10.37482 27.22381 9.018195 -0.7053051     13.74644 
1 1 1 10  34 15 o 55.80503 4.424358 158.5331       23.96974 0.000000       0.000000 158.5331       23.96974 ?        ?        55.80503 4.424358 ?              ?        
1 1 1 10  34 16 o 35.01926 5.328115 64.28026       17.68855 55.10000       35.06264 67.41430       20.48660 30.64119 10.09068 35.52870 6.111258 -4.887510      11.79700 
1 1 1 10  34 17 o 33.56947 5.458218 59.42744       17.31946 24.23000       33.92217 71.83761       20.14267 23.92863 9.568959 36.82701 5.777794 -12.89838      11.17801 
1 1 1 10  34 18 o 52.96664 3.788114 141.7285       19.50989 110.3000       35.50932 155.3183       23.35005 43.98861 8.555103 55.18702 4.357942 -11.19841      9.601117 
1 1 1 10  34 19 o 19.60923 6.809685 19.31977       15.97736 0.000000       0.000000 19.31977       15.97736 ?        ?        19.60923 6.809685 ?              ?        
1 1 1 10  34 20 o 21.99230 7.454031 25.57710       19.11243 30.04000       24.52079 18.66888       30.50767 23.79665 8.422974 22.15717 8.998472 1.639482       12.32554 
1 1 1 10  34 21 o 51.29816 3.419138 132.3676       17.07019 133.0000       30.12354 132.0685       20.71768 49.86433 6.313039 50.89616 4.195861 -1.031834      7.580219 
1 1 1 10  34 22 o 28.59745 4.834532 42.93362       13.05098 53.73000       23.08906 37.86459       15.82084 30.74759 7.691657 26.29865 6.240379 4.448936       9.904742 
1 1 1 10  34 23 o 50.37759 3.365102 127.7579       16.49850 157.1000       27.49087 111.2406       20.62591 54.89292 5.177581 46.43422 4.598371 8.458698       6.924764 
1 1 1 10  34 24 o 18.34844 8.143708 -1.414522      29.17813 0.000000       0.000000 -1.414522      29.17813 ?        ?        18.34844 8.143708 ?              ?        
1 1 1 10  34 25 f 32.05382 13.00021 66.66000       63.57614 0.000000       0.000000 66.66000       63.57614 ?        ?        32.05382 13.00021 ?              ?        
1 1 1 10  34 26 o 30.94617 9.373612 58.26318       30.83371 0.000000       0.000000 58.26318       30.83371 ?        ?        30.94617 9.373612 ?              ?        
1 1 1 10  34 27 o 23.11688 8.981257 26.46817       29.12345 0.000000       0.000000 26.46817       29.12345 ?        ?        23.11688 8.981257 ?              ?        
1 1 1 10  34 28 o 20.35344 8.511935 13.55339       28.38186 0.000000       0.000000 13.55339       28.38186 ?        ?        20.35344 8.511935 ?              ?        
1 1 1 10  34 29 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  34 30 o 49.88924 7.248956 140.4137       34.36369 0.000000       0.000000 140.4137       34.36369 ?        ?        49.88924 7.248956 ?              ?        
1 1 1 10  34 31 o 29.26394 9.143537 52.85629       29.06165 0.000000       0.000000 52.85629       29.06165 ?        ?        29.26394 9.143537 ?              ?        
1 1 1 10  34 32 o 48.53394 6.955028 131.8655       32.09768 0.000000       0.000000 131.8655       32.09768 ?        ?        48.53394 6.955028 ?              ?        
1 1 1 10  34 33 o 33.52402 8.975883 69.48268       30.03841 0.000000       0.000000 69.48268       30.03841 ?        ?        33.52402 8.975883 ?              ?        
1 1 1 10  34 34 o 36.72333 9.745313 86.34000       35.60636 0.000000       0.000000 86.34000       35.60636 ?        ?        36.72333 9.745313 ?              ?        
1 1 1 10  34 35 o 23.26000 8.840984 29.37258       27.79545 0.000000       0.000000 29.37258       27.79545 ?        ?        23.26000 8.840984 ?              ?        
1 1 1 10  34 36 o 35.84291 12.79223 99.65000       56.66512 0.000000       0.000000 99.65000       56.66512 ?        ?        35.84291 12.79223 ?              ?        
1 1 1 10  34 37 o 27.53628 9.152070 47.39188       28.82341 0.000000       0.000000 47.39188       28.82341 ?        ?        27.53628 9.152070 ?              ?        
1 1 1 10  34 38 o 19.78845 8.315686 13.23381       27.28922 0.000000       0.000000 13.23381       27.28922 ?        ?        19.78845 8.315686 ?              ?        
1 1 1 10  34 39 o 28.01763 9.103133 49.87474       28.57969 0.000000       0.000000 49.87474       28.57969 ?        ?        28.01763 9.103133 ?              ?        
1 1 1 10  34 40 o 15.55037 7.166761 -9.674800      25.28359 0.000000       0.000000 -9.674800      25.28359 ?        ?        15.55037 7.166761 ?              ?        
1 1 1 10  34 41 o 19.72188 8.164926 16.17068       25.73824 0.000000       0.000000 16.17068       25.73824 ?        ?        19.72188 8.164926 ?              ?        
1 1 1 10  34 42 o 33.08469 8.819687 70.85394       29.08063 0.000000       0.000000 70.85394       29.08063 ?        ?        33.08469 8.819687 ?              ?        
1 1 1 10  35 0  o 55.81987 3.965517 156.9855       21.52573 137.4000       52.40391 160.9608       23.60948 47.59489 11.39901 56.38079 4.310770 -8.785904      12.18689 
1 1 1 10  35 1  o 65.77934 3.710063 216.9990       23.79102 154.9000       55.07842 231.2430       26.37882 50.62920 11.39052 67.78207 3.993586 -17.15287      12.07032 
1 1 1 10  35 2  o 29.94252 6.376747 48.22322       18.11620 40.88000       46.16464 49.55991       19.69616 28.80760 11.27443 30.19689 6.824770 -1.389292      13.17916 
1 1 1 10  35 3  o 29.28493 6.574372 46.41359       18.38230 36.10000       45.39515 48.43648       20.10438 27.91149 11.09998 29.76911 7.015258 -1.857616      13.13101 
1 1 1 10  35 4  o 61.76975 3.844337 191.8957       23.12839 138.9000       51.20043 205.4820       25.92409 47.96812 11.12157 63.77465 4.175848 -15.80653      11.87969 
1 1 1 10  35 5  o 36.90837 6.090011 72.23536       21.23467 0.000000       0.000000 72.23536       21.23467 ?        ?        36.90837 6.090011 ?              ?        
1 1 1 10  35 6  o 46.08354 5.129889 109.6591       22.74804 0.000000       0.000000 109.6591       22.74804 ?        ?        46.08354 5.129889 ?              ?        
1 1 1 10  35 7  f 62.40019 4.196030 197.1207       25.47995 189.2000       53.13929 199.4855       29.03548 57.15333 9.854601 62.46670 4.785123 -5.313370      10.95493 
1 1 1 10  35 8  o 20.39538 7.768730 18.05971       21.49067 -14.18000      45.98058 27.07096       24.30925 21.34026 9.772189 23.19963 8.366660 -1.859369      12.86455 
1 1 1 10  35 9  o 18.93115 7.710224 10.91410       22.47321 3.470000       44.63498 13.44202       26.01061 22.96210 10.13759 20.36279 8.294281 2.599304       13.09831 
1 1 1 10  35 10 o 53.10630 5.384800 146.3821       27.60473 164.9000       49.39826 137.9734       33.28722 53.14726 9.858549 50.65363 6.892302 2.493626       12.02892 
1 1 1 10  35 11 o 19.19659 7.263409 15.98138       18.70979 8.382000       43.57606 17.69896       20.71653 23.31100 10.16140 20.10020 7.634322 3.210802       12.70972 
1 1 1 10  35 12 o 37.04650 6.884846 74.76817       24.04717 80.75000       44.09651 72.23634       28.68834 35.95537 11.26731 35.59263 8.375122 0.3627357      14.03905 
1 1 1 10  35 13 o 38.90633 6.222398 80.97906       22.89840 0.000000       0.000000 80.97906       22.89840 ?        ?        38.90633 6.222398 ?              ?        
1 1 1 10  35 14 o 46.33903 4.441590 109.9502       19.89979 54.85000       37.47483 131.5891       23.48443 30.39751 10.43476 50.54556 4.804389 -20.14805      11.48766 
1 1 1 10  35 15 o 65.43079 3.580597 215.3452       22.84470 218.4000       43.22683 214.1613       26.90958 63.50375 7.074172 64.88892 4.260289 -1.385162      8.257964 
1 1 1 10  35 16 o 16.40122 6.516856 9.173610       15.63430 -11.49000      29.17222 17.50025       18.51831 17.10075 7.813017 19.49379 7.257364 -2.393038      10.66361 
1 1 1 10  35 17 o 29.01875 5.933931 45.47649       16.28577 8.723000       29.07442 62.28061       19.65938 20.03269 8.508715 33.98589 6.135410 -13.95321      10.49007 
1 1 1 10  35 18 o 29.99494 5.603347 48.09599       15.84656 34.31000       27.88984 54.66833       19.25693 25.12618 8.973742 31.63988 6.437250 -6.513695      11.04383 
1 1 1 10  35 19 o 53.56228 4.319039 146.7143       22.45210 0.000000       0.000000 146.7143       22.45210 ?        ?        53.56228 4.319039 ?              ?        
1 1 1 10  35 20 o 34.27258 6.225508 63.72746       20.11567 42.81000       25.40330 98.89354       32.93804 27.20906 8.555512 41.40561 8.414278 -14.19655      11.99987 
1 1 1 10  35 21 o 27.18312 5.237391 39.43732       13.43007 48.63000       25.17923 35.78222       15.87710 28.84469 8.405889 25.44372 6.385847 3.400969       10.55642 
1 1 1 10  35 22 o 53.92841 3.366691 146.5094       17.68297 127.8000       28.65142 158.0206       22.47383 48.78024 6.136068 55.60583 4.159187 -6.825592      7.412838 
1 1 1 10  35 23 o 50.19067 3.354273 127.0304       16.38429 91.09000       26.88781 148.2577       20.66386 40.47186 7.042954 53.94481 3.940594 -13.47294      8.070408 
1 1 1 10  35 24 f 28.01847 12.16504 35.46000       61.93764 0.000000       0.000000 35.46000       61.93764 ?        ?        28.01847 12.16504 ?              ?        
1 1 1 10  35 25 o 31.38525 9.294975 60.64016       30.57706 0.000000       0.000000 60.64016       30.57706 ?        ?        31.38525 9.294975 ?              ?        
1 1 1 10  35 26 o 20.32474 8.603825 12.25002       29.56017 0.000000       0.000000 12.25002       29.56017 ?        ?        20.32474 8.603825 ?              ?        
1 1 1 10  35 27 o 29.15020 9.462121 52.85165       30.88235 0.000000       0.000000 52.85165       30.88235 ?        ?        29.15020 9.462121 ?              ?        
1 1 1 10  35 28 o 38.38514 8.716249 89.13573       31.99904 0.000000       0.000000 89.13573       31.99904 ?        ?        38.38514 8.716249 ?              ?        
1 1 1 10  35 29 f 16.80194 7.644082 -7.184612      27.54934 0.000000       0.000000 -7.184612      27.54934 ?        ?        16.80194 7.644082 ?              ?        
1 1 1 10  35 30 o 25.63833 9.128016 38.99212       28.83498 0.000000       0.000000 38.99212       28.83498 ?        ?        25.63833 9.128016 ?              ?        
1 1 1 10  35 31 o 24.95836 9.889692 34.24000       35.91167 0.000000       0.000000 34.24000       35.91167 ?        ?        24.95836 9.889692 ?              ?        
1 1 1 10  35 32 o 31.41875 9.199735 62.16430       30.09671 0.000000       0.000000 62.16430       30.09671 ?        ?        31.41875 9.199735 ?              ?        
1 1 1 10  35 33 o 17.47005 8.017816 -9.196000      31.18684 0.000000       0.000000 -9.196000      31.18684 ?        ?        17.47005 8.017816 ?              ?        
1 1 1 10  35 34 o 21.39765 8.658270 20.60175       28.12601 0.000000       0.000000 20.60175       28.12601 ?        ?        21.39765 8.658270 ?              ?        
1 1 1 10  35 35 o 22.00517 10.24678 -7.160000      53.72270 0.000000       0.000000 -7.160000      53.72270 ?        ?        22.00517 10.24678 ?              ?        
1 1 1 10  35 36 o 28.95151 9.011745 52.77325       28.25846 0.000000       0.000000 52.77325       28.25846 ?        ?        28.95151 9.011745 ?              ?        
1 1 1 10  35 37 o 37.32708 8.352341 84.79668       29.75299 0.000000       0.000000 84.79668       29.75299 ?        ?        37.32708 8.352341 ?              ?        
1 1 1 10  35 38 o 19.76144 8.250932 14.78299       26.60344 0.000000       0.000000 14.78299       26.60344 ?        ?        19.76144 8.250932 ?              ?        
1 1 1 10  35 39 o 39.73885 7.955248 95.36820       29.86348 0.000000       0.000000 95.36820       29.86348 ?        ?        39.73885 7.955248 ?              ?        
1 1 1 10  35 40 o 19.51530 8.200216 14.58479       26.53317 0.000000       0.000000 14.58479       26.53317 ?        ?        19.51530 8.200216 ?              ?        
1 1 1 10  36 0  o 75.29050 3.507849 284.1951       25.78053 240.4000       57.64797 295.1434       28.82340 64.77285 9.363962 76.53954 3.859731 -11.76669      10.12824 
1 1 1 10  36 1  o 47.70465 4.361287 116.0764       20.13982 94.20000       49.94698 120.3239       22.00830 38.31544 11.98923 48.41981 4.702789 -10.10437      12.87858 
1 1 1 10  36 2  o 64.23875 3.727097 207.7229       23.33484 191.2000       53.05465 211.6859       25.98296 57.24545 9.821900 64.64940 4.127548 -7.403946      10.65394 
1 1 1 10  36 3  o 16.67091 6.804741 7.623277       17.55161 -15.77000      44.61009 11.90776       19.09136 20.77354 9.554241 18.20077 7.211187 2.572775       11.97016 
1 1 1 10  36 4  o 38.60685 5.394822 78.09107       19.83088 32.04000       47.42794 87.84796       21.83082 27.09946 11.13771 40.88285 5.602565 -13.78339      12.46745 
1 1 1 10  36 5  o 56.06799 4.587321 160.8147       24.95573 179.4000       52.43715 155.3725       28.37523 55.08681 10.09688 54.67287 5.371537 0.4139328      11.43680 
1 1 1 10  36 6  o 25.82551 8.131167 37.19900       22.93857 0.000000       0.000000 37.19900       22.93857 ?        ?        25.82551 8.131167 ?              ?        
1 1 1 10  36 7  o 25.46155 7.758976 36.10831       21.08286 0.000000       0.000000 36.10831       21.08286 ?        ?        25.46155 7.758976 ?              ?        
1 1 1 10  36 8  o 60.12987 5.130327 187.0426       29.90731 161.4000       51.17820 200.3407       36.85512 51.71120 10.47055 61.49663 6.207542 -9.785423      12.17234 
1 1 1 10  36 9  o 66.19944 6.545577 234.1018       41.85936 290.7000       55.59247 160.0000       63.61052 72.41936 7.974343 48.60649 13.08286 23.81288       15.32159 
1 1 1 10  36 10 o 18.35039 7.526794 9.878672       21.60457 -28.50000      42.27304 23.44693       25.13510 18.90770 8.895674 22.23339 8.417298 -3.325691      12.24679 
1 1 1 10  36 11 o 19.60865 7.563192 16.35244       20.54124 0.000000       0.000000 16.35244       20.54124 ?        ?        19.60865 7.563192 ?              ?        
1 1 1 10  36 12 o 56.95020 4.104150 164.8920       22.72491 159.4000       46.80537 166.5859       25.99431 52.04716 9.538808 56.91214 4.708334 -4.864971      10.63754 
1 1 1 10  36 13 o 14.18265 6.367579 -5.472207      18.38595 30.81000       36.71173 -17.61923      21.24188 25.29087 10.00629 13.53107 6.347054 11.75980       11.84951 
1 1 1 10  36 14 f 45.60907 4.446101 106.8419       19.59722 73.87000       34.04706 123.1779       23.96519 34.95135 9.639957 48.64634 5.109130 -13.69500      10.91018 
1 1 1 10  36 15 o 30.82103 5.997007 51.35619       17.44073 32.09000       29.85358 61.33882       21.48923 24.73430 9.213386 33.33675 6.815771 -8.602449      11.46042 
1 1 1 10  36 16 o 18.99112 6.799978 17.67305       16.02510 19.60000       28.44479 16.77708       19.39613 21.83019 8.751331 19.39437 7.382114 2.435825       11.44908 
1 1 1 10  36 17 o 23.99579 6.586481 31.91352       15.93750 19.60000       29.32559 37.07483       18.98610 21.93743 8.853762 25.64565 7.245256 -3.708221      11.44040 
1 1 1 10  36 18 o 42.47766 4.242518 92.67516       17.40396 97.04000       30.66776 90.60165       21.13739 41.28368 7.876531 41.44560 5.333873 -0.1619186     9.512620 
1 1 1 10  36 19 o 19.63474 6.979008 19.46267       16.84952 0.000000       0.000000 19.46267       16.84952 ?        ?        19.63474 6.979008 ?              ?        
1 1 1 10  36 20 o 66.98807 4.412529 230.5715       28.77174 217.2000       37.08120 250.8000       45.60849 63.73719 6.014800 67.54349 6.999875 -3.806297      9.229089 
1 1 1 10  36 21 o 35.61959 4.013093 65.17632       13.74859 64.91000       25.09506 65.29054       16.43448 33.53668 7.793520 35.25979 4.893512 -1.723114      9.202468 
1 1 1 10  36 22 o 14.12177 5.521928 7.254764       11.06580 24.27000       20.18522 -0.5615821E-01 13.23124 21.42949 7.636370 12.96371 5.625626 8.465778       9.484819 
1 1 1 10  36 23 o 49.29942 7.796764 139.1733       36.37399 0.000000       0.000000 139.1733       36.37399 ?        ?        49.29942 7.796764 ?              ?        
1 1 1 10  36 24 o 18.51919 8.097704 3.924980       27.85965 0.000000       0.000000 3.924980       27.85965 ?        ?        18.51919 8.097704 ?              ?        
1 1 1 10  36 25 o 28.30474 9.391551 49.71870       30.35471 0.000000       0.000000 49.71870       30.35471 ?        ?        28.30474 9.391551 ?              ?        
1 1 1 10  36 26 o 27.61378 9.324831 47.17985       29.90878 0.000000       0.000000 47.17985       29.90878 ?        ?        27.61378 9.324831 ?              ?        
1 1 1 10  36 27 o 39.88382 8.499204 95.24030       32.16478 0.000000       0.000000 95.24030       32.16478 ?        ?        39.88382 8.499204 ?              ?        
1 1 1 10  36 28 f 20.20676 8.451276 14.17063       27.98218 0.000000       0.000000 14.17063       27.98218 ?        ?        20.20676 8.451276 ?              ?        
1 1 1 10  36 29 o 41.31252 8.020320 100.5076       31.26273 0.000000       0.000000 100.5076       31.26273 ?        ?        41.31252 8.020320 ?              ?        
1 1 1 10  36 30 o 47.71986 7.307755 129.9944       33.04906 0.000000       0.000000 129.9944       33.04906 ?        ?        47.71986 7.307755 ?              ?        
1 1 1 10  36 31 o 17.62990 8.046001 -6.914000      30.82881 0.000000       0.000000 -6.914000      30.82881 ?        ?        17.62990 8.046001 ?              ?        
1 1 1 10  36 32 o 22.77982 8.898577 27.14504       28.71364 0.000000       0.000000 27.14504       28.71364 ?        ?        22.77982 8.898577 ?              ?        
1 1 1 10  36 33 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  36 34 o 27.32596 11.71279 44.39000       55.99461 0.000000       0.000000 44.39000       55.99461 ?        ?        27.32596 11.71279 ?              ?        
1 1 1 10  36 35 o 24.82386 8.948878 37.04285       27.80692 0.000000       0.000000 37.04285       27.80692 ?        ?        24.82386 8.948878 ?              ?        
1 1 1 10  36 36 o 28.21502 9.046402 50.98159       28.28461 0.000000       0.000000 50.98159       28.28461 ?        ?        28.21502 9.046402 ?              ?        
1 1 1 10  36 37 o 27.41866 8.906315 48.22881       27.35814 0.000000       0.000000 48.22881       27.35814 ?        ?        27.41866 8.906315 ?              ?        
1 1 1 10  36 38 o 21.27094 8.439459 23.77136       26.18347 0.000000       0.000000 23.77136       26.18347 ?        ?        21.27094 8.439459 ?              ?        
1 1 1 10  36 39 o 19.24364 8.088280 14.39642       25.82477 0.000000       0.000000 14.39642       25.82477 ?        ?        19.24364 8.088280 ?              ?        
1 1 1 10  37 0  o 21.88102 7.037087 25.77555       17.10603 59.05000       46.30944 20.51804       18.40790 31.15853 11.49938 20.33795 7.287334 10.82058       13.61400 
1 1 1 10  37 1  o 26.66376 6.837550 39.44542       17.92909 46.10000       45.82587 38.24269       19.48206 28.86416 11.25137 26.12660 7.324611 2.737560       13.42547 
1 1 1 10  37 2  o 80.18587 3.557091 323.3360       27.84946 262.5000       60.01744 340.0294       31.43907 67.18263 9.382236 81.99410 3.928675 -14.81147      10.17157 
1 1 1 10  37 3  o 43.80998 4.916785 99.58101       20.72094 83.05000       49.12055 103.1594       22.85387 35.61017 11.94980 44.36230 5.372403 -8.752132      13.10193 
1 1 1 10  37 4  o 44.16787 5.249359 101.9928       22.25100 91.64000       48.71096 104.7227       25.01318 37.34517 11.86063 44.40197 5.901170 -7.056797      13.24758 
1 1 1 10  37 5  o 43.45323 5.100463 98.43911       21.28140 27.58000       47.41919 116.3109       23.81441 26.13267 10.97048 47.19484 5.243529 -21.06217      12.15919 
1 1 1 10  37 6  o 14.94766 6.559983 -1.366382      18.43291 -25.20000      42.00554 4.317647       20.51350 19.05932 8.935484 16.80349 7.142484 2.255831       11.43932 
1 1 1 10  37 7  o 78.85482 5.568875 325.4120       42.70704 0.000000       0.000000 325.4120       42.70704 ?        ?        78.85482 5.568875 ?              ?        
1 1 1 10  37 8  o 29.68452 8.579570 51.42656       26.32877 0.000000       0.000000 51.42656       26.32877 ?        ?        29.68452 8.579570 ?              ?        
1 1 1 10  37 9  o 31.96193 7.287210 57.36983       22.29034 0.000000       0.000000 57.36983       22.29034 ?        ?        31.96193 7.287210 ?              ?        
1 1 1 10  37 10 f 31.95090 7.273448 57.34624       22.23509 43.39000       40.89115 63.20515       26.49435 27.88569 10.69287 33.04806 8.223488 -5.162373      13.48937 
1 1 1 10  37 11 o 20.47690 7.322196 21.13781       18.57449 13.82000       38.83090 23.30901       21.15128 22.74761 9.752172 21.47165 7.795906 1.275965       12.48523 
1 1 1 10  37 12 o 25.26235 7.263609 35.90936       18.91743 66.09000       39.00485 26.62648       21.63195 32.41061 10.64129 22.43770 7.914047 9.972902       13.26157 
1 1 1 10  37 13 o 23.14761 7.128272 29.74397       17.73541 24.41000       31.04363 32.32848       21.60912 23.12645 9.184968 24.06048 7.921575 -0.9340363     12.12910 
1 1 1 10  37 14 f 33.78336 5.850512 61.52972       18.64613 62.00000       32.64582 61.30202       22.71604 31.76834 9.649808 32.96451 7.238718 -1.196167      12.06308 
1 1 1 10  37 15 o 29.84745 6.286199 48.97659       17.78433 39.86000       31.05533 53.42527       21.69380 26.36968 9.463300 30.66662 7.327456 -4.296942      11.96853 
1 1 1 10  37 16 o 15.61265 6.461354 6.049415       16.11037 12.39000       28.91788 3.195832       19.39979 20.38507 8.562940 16.09087 6.895591 4.294203       10.99423 
1 1 1 10  37 17 o 21.50713 6.734355 25.42126       15.75589 38.03000       27.05720 18.95203       19.38086 25.67305 8.864410 19.84704 7.417405 5.826010       11.55836 
1 1 1 10  37 18 o 28.66736 6.024885 45.05870       16.36818 44.86000       26.98635 45.17434       20.58744 27.46998 8.839135 28.06206 7.393173 -0.5920753     11.52342 
1 1 1 10  37 19 o 27.42857 7.066216 42.88921       19.08796 0.000000       0.000000 42.88921       19.08796 ?        ?        27.42857 7.066216 ?              ?        
1 1 1 10  37 20 o 27.28535 6.743910 42.12378       17.90699 46.64000       23.61070 36.00830       27.47490 28.05499 8.129452 25.00321 8.909264 3.051786       12.06080 
1 1 1 10  37 21 o 30.32743 4.851739 48.79739       13.91730 75.91000       23.51279 34.17584       17.26693 36.78440 6.780057 24.47967 6.907238 12.30473       9.678797 
1 1 1 10  37 22 o 32.46791 4.894885 55.89108       15.07313 0.000000       0.000000 55.89108       15.07313 ?        ?        32.46791 4.894885 ?              ?        
1 1 1 10  37 23 o 19.28801 8.297996 8.505810       28.29935 0.000000       0.000000 8.505810       28.29935 ?        ?        19.28801 8.297996 ?              ?        
1 1 1 10  37 24 o 19.02294 8.301185 5.721817       29.14922 0.000000       0.000000 5.721817       29.14922 ?        ?        19.02294 8.301185 ?              ?        
1 1 1 10  37 25 o 19.03867 8.221816 7.418084       27.98680 0.000000       0.000000 7.418084       27.98680 ?        ?        19.03867 8.221816 ?              ?        
1 1 1 10  37 26 o 20.12929 8.379853 14.73653       27.32362 0.000000       0.000000 14.73653       27.32362 ?        ?        20.12929 8.379853 ?              ?        
1 1 1 10  37 27 o 42.23852 8.101562 105.5351       32.27711 0.000000       0.000000 105.5351       32.27711 ?        ?        42.23852 8.101562 ?              ?        
1 1 1 10  37 28 o 24.07738 8.920946 33.36480       27.91861 0.000000       0.000000 33.36480       27.91861 ?        ?        24.07738 8.920946 ?              ?        
1 1 1 10  37 29 o 39.36708 8.314196 93.08932       31.03135 0.000000       0.000000 93.08932       31.03135 ?        ?        39.36708 8.314196 ?              ?        
1 1 1 10  37 30 o 41.79947 9.459556 110.4000       37.79722 0.000000       0.000000 110.4000       37.79722 ?        ?        41.79947 9.459556 ?              ?        
1 1 1 10  37 31 o 30.48909 9.098880 59.09566       29.21192 0.000000       0.000000 59.09566       29.21192 ?        ?        30.48909 9.098880 ?              ?        
1 1 1 10  37 32 o 22.86725 10.55777 2.293000       55.22302 0.000000       0.000000 2.293000       55.22302 ?        ?        22.86725 10.55777 ?              ?        
1 1 1 10  37 33 o 22.94805 8.824615 29.04301       27.90501 0.000000       0.000000 29.04301       27.90501 ?        ?        22.94805 8.824615 ?              ?        
1 1 1 10  37 34 o 20.09767 8.358915 16.15679       27.15092 0.000000       0.000000 16.15679       27.15092 ?        ?        20.09767 8.358915 ?              ?        
1 1 1 10  37 35 o 17.56437 7.973623 -3.099000      29.77493 0.000000       0.000000 -3.099000      29.77493 ?        ?        17.56437 7.973623 ?              ?        
1 1 1 10  37 36 o 29.75343 12.13423 71.13000       55.75195 0.000000       0.000000 71.13000       55.75195 ?        ?        29.75343 12.13423 ?              ?        
1 1 1 10  37 37 o 20.89692 8.403952 22.18179       26.31980 0.000000       0.000000 22.18179       26.31980 ?        ?        20.89692 8.403952 ?              ?        
1 1 1 10  38 0  o 32.29689 6.103163 56.61166       18.58716 38.50000       42.01509 61.01884       20.72560 27.00922 10.69880 33.30583 6.590838 -6.296610      12.56596 
1 1 1 10  38 1  o 44.34000 4.780550 102.0180       20.42064 62.86000       44.43670 112.5014       22.99221 31.52573 11.31920 46.37843 5.151565 -14.85270      12.43636 
1 1 1 10  38 2  o 20.32722 7.432503 20.33268       19.27365 42.47000       41.16517 14.11739       21.81212 27.62280 10.69265 19.23734 7.679759 8.385460       13.16478 
1 1 1 10  38 3  o 62.84969 4.249915 201.8323       25.99131 183.2000       49.56654 208.8985       30.52453 55.59042 9.446959 63.47370 4.952192 -7.883282      10.66627 
1 1 1 10  38 4  o 27.39038 7.024292 42.17529       18.92104 36.22000       41.82708 43.70747       21.21588 26.57036 10.62550 27.66297 7.601788 -1.092609      13.06477 
1 1 1 10  38 5  o 59.59523 5.094523 184.9603       29.43337 212.7000       49.77500 170.0452       36.49831 60.79168 8.605172 55.83807 6.819150 4.953606       10.97952 
1 1 1 10  38 6  o 25.27539 9.539497 34.30333       32.22638 26.85000       40.94294 46.44000       52.24604 24.91176 10.30432 28.89718 11.76094 -3.985416      15.63645 
1 1 1 10  38 7  o 20.03214 7.619847 18.53073       20.65702 0.000000       0.000000 18.53073       20.65702 ?        ?        20.03214 7.619847 ?              ?        
1 1 1 10  38 8  o 41.26212 5.876709 91.30778       23.06503 0.000000       0.000000 91.30778       23.06503 ?        ?        41.26212 5.876709 ?              ?        
1 1 1 10  38 9  f 38.75417 6.206711 81.52090       22.75003 0.000000       0.000000 81.52090       22.75003 ?        ?        38.75417 6.206711 ?              ?        
1 1 1 10  38 10 o 16.86308 7.197608 4.458996       20.98329 -30.24000      38.27563 19.36826       25.08951 17.48987 8.298922 21.01777 8.285668 -3.527901      11.72708 
1 1 1 10  38 11 o 15.03831 6.761885 -5.295125      20.82040 -16.84000      37.01542 0.4792472E-01  25.18156 18.40664 8.548806 17.32869 7.633926 1.077944       11.46119 
1 1 1 10  38 12 o 44.54327 4.985590 103.9788       21.36479 108.0000       41.27187 102.5068       24.97093 41.32237 10.25295 43.59553 6.011621 -2.273155      11.88539 
1 1 1 10  38 13 o 34.31747 5.913386 63.87250       19.14666 35.59000       33.76724 77.27450       23.24457 25.44424 9.726817 37.40697 6.588979 -11.96273      11.74843 
1 1 1 10  38 14 o 13.06611 5.949385 -7.338470      16.73155 3.977000       30.24821 -12.32691      20.08379 19.24483 8.425795 13.66840 6.330466 5.576432       10.53892 
1 1 1 10  38 15 o 17.61869 6.792144 13.29713       16.56035 14.53000       27.79109 12.61834       20.62135 20.41980 8.471804 18.43346 7.429799 1.986338       11.26825 
1 1 1 10  38 16 o 12.40198 5.689177 -8.342044      15.67711 17.10000       26.27305 -22.40936      19.53620 20.57646 8.352798 12.13290 5.804707 8.443564       10.17172 
1 1 1 10  38 17 o 45.53199 4.372011 107.4330       19.24599 91.74000       32.51795 115.8940       23.87714 38.99082 8.737227 46.70580 5.317401 -7.714981      10.22809 
1 1 1 10  38 18 o 48.14960 4.958642 122.0946       23.03638 108.8000       32.61108 135.3360       32.54574 43.11409 8.022687 49.13459 6.961793 -6.020493      10.62215 
1 1 1 10  38 19 o 41.95082 6.270474 96.79456       24.95932 0.000000       0.000000 96.79456       24.95932 ?        ?        41.95082 6.270474 ?              ?        
1 1 1 10  38 20 o 40.87249 6.071894 91.52934       23.55489 95.97000       25.57388 66.69000       60.48434 41.55815 6.499662 30.65268 12.58566 10.90547       14.16490 
1 1 1 10  38 21 o 20.56350 6.387097 23.47002       14.20347 0.000000       0.000000 23.47002       14.20347 ?        ?        20.56350 6.387097 ?              ?        
1 1 1 10  38 22 o 20.19823 8.556084 12.87532       29.26617 0.000000       0.000000 12.87532       29.26617 ?        ?        20.19823 8.556084 ?              ?        
1 1 1 10  38 23 o 18.39025 8.111927 2.813428       28.51919 0.000000       0.000000 2.813428       28.51919 ?        ?        18.39025 8.111927 ?              ?        
1 1 1 10  38 24 f 16.55904 7.669982 -12.57203      29.49288 0.000000       0.000000 -12.57203      29.49288 ?        ?        16.55904 7.669982 ?              ?        
1 1 1 10  38 25 o 51.75180 7.054725 151.5996       34.80700 0.000000       0.000000 151.5996       34.80700 ?        ?        51.75180 7.054725 ?              ?        
1 1 1 10  38 26 o 30.79425 9.201486 60.38911       29.86004 0.000000       0.000000 60.38911       29.86004 ?        ?        30.79425 9.201486 ?              ?        
1 1 1 10  38 27 o 31.52894 9.071737 62.93480       29.49815 0.000000       0.000000 62.93480       29.49815 ?        ?        31.52894 9.071737 ?              ?        
1 1 1 10  38 28 o 20.80364 8.536850 18.39412       27.80786 0.000000       0.000000 18.39412       27.80786 ?        ?        20.80364 8.536850 ?              ?        
1 1 1 10  38 29 o 22.44940 9.240100 23.89000       32.70582 0.000000       0.000000 23.89000       32.70582 ?        ?        22.44940 9.240100 ?              ?        
1 1 1 10  38 30 o 22.04902 8.815907 24.51726       28.78843 0.000000       0.000000 24.51726       28.78843 ?        ?        22.04902 8.815907 ?              ?        
1 1 1 10  38 31 o 65.73251 6.008232 236.5858       38.23044 0.000000       0.000000 236.5858       38.23044 ?        ?        65.73251 6.008232 ?              ?        
1 1 1 10  38 32 o 17.99681 7.867826 5.364847       26.28962 0.000000       0.000000 5.364847       26.28962 ?        ?        17.99681 7.867826 ?              ?        
1 1 1 10  38 33 o 16.91213 7.592884 -1.017686      26.14131 0.000000       0.000000 -1.017686      26.14131 ?        ?        16.91213 7.592884 ?              ?        
1 1 1 10  38 34 o 15.56041 7.166947 -8.464322      25.22948 0.000000       0.000000 -8.464322      25.22948 ?        ?        15.56041 7.166947 ?              ?        
1 1 1 10  38 35 o 26.65198 8.926846 46.63359       27.41310 0.000000       0.000000 46.63359       27.41310 ?        ?        26.65198 8.926846 ?              ?        
1 1 1 10  39 0  o 25.29505 7.070240 36.27969       18.18137 5.322000       41.50692 43.62992       20.22491 21.83057 9.699760 27.59443 7.354795 -5.763857      12.17285 
1 1 1 10  39 1  o 26.63020 7.375964 40.63566       19.88594 62.39000       43.84190 35.00065       22.31331 31.00437 11.22858 24.73568 8.043972 6.268690       13.81255 
1 1 1 10  39 2  o 28.48808 7.309854 46.45181       20.48291 66.63000       45.36222 41.28404       22.95646 31.75364 11.43204 26.60496 8.094194 5.148684       14.00741 
1 1 1 10  39 3  o 31.04259 7.428702 55.26743       22.27055 -5.752000      45.06617 74.98378       25.61709 21.24762 9.708883 36.27402 7.463953 -15.02640      12.24635 
1 1 1 10  39 4  o 24.24572 8.521197 33.05111       25.06200 30.70000       43.32195 34.23375       30.72535 25.48879 10.57631 24.90814 9.333071 0.5806541      14.10548 
1 1 1 10  39 5  o 23.34587 9.212238 26.69197       31.04119 0.000000       0.000000 26.69197       31.04119 ?        ?        23.34587 9.212238 ?              ?        
1 1 1 10  39 6  o 12.01299 5.671034 -16.32195      17.44475 -11.17000      38.24092 -17.67582      19.60332 19.20579 8.837835 12.75052 6.016915 6.455266       10.69161 
1 1 1 10  39 7  o 32.22314 6.332387 57.32441       19.26034 97.34000       41.79969 46.53845       21.70140 38.59855 10.69491 28.31215 7.650688 10.28640       13.14968 
1 1 1 10  39 8  o 21.86698 7.372051 26.19854       18.69362 36.64000       38.76998 23.03576       21.33783 25.97896 10.28156 21.21059 7.809628 4.768368       12.91127 
1 1 1 10  39 9  o 25.59090 7.955206 38.04614       22.02879 0.000000       0.000000 38.04614       22.02879 ?        ?        25.59090 7.955206 ?              ?        
1 1 1 10  39 10 o 16.76407 6.960282 7.629765       18.77855 2.696000       37.56104 9.273893       21.68284 20.59494 9.184189 17.93722 7.465917 2.657715       11.83593 
1 1 1 10  39 11 o 45.05519 5.771748 109.2556       24.87029 131.0000       42.84822 98.20818       30.54148 45.75465 9.858493 41.16481 7.866496 4.589836       12.61236 
1 1 1 10  39 12 o 33.58027 7.413992 65.02619       23.71673 56.49000       41.58192 69.14207       28.87377 29.48853 10.89421 33.73047 8.691327 -4.241940      13.93639 
1 1 1 10  39 13 o 14.83330 6.463443 0.6859174      17.61626 9.649000       29.94978 -4.055420      21.78288 19.86860 8.542010 15.44395 6.932615 4.424651       11.00123 
1 1 1 10  39 14 f 28.66194 6.645422 46.58731       18.28031 69.38000       31.20937 34.68365       22.55421 33.20998 9.256166 24.36990 8.095695 8.840084       12.29703 
1 1 1 10  39 15 o 53.21276 4.307602 146.5643       22.24497 95.75000       34.89011 181.3678       28.87494 39.22513 9.240328 58.62127 5.082386 -19.39614      10.54582 
1 1 1 10  39 16 o 42.84279 4.920106 96.97417       20.25878 65.48000       32.29454 117.4096       26.01391 31.93684 9.575404 46.52084 5.841286 -14.58400      11.21646 
1 1 1 10  39 17 o 11.19255 5.269628 -13.29990      14.88145 -37.94000      24.54439 1.023408       18.71339 12.46869 6.091944 15.23391 6.649426 -2.765224      9.018128 
1 1 1 10  39 18 o 24.78409 7.006433 35.48206       17.74912 30.70000       25.41558 40.03451       24.79790 23.30854 8.533015 25.77271 8.485982 -2.464170      12.03429 
1 1 1 10  39 19 o 39.94932 5.413200 85.76974       20.62338 0.000000       0.000000 85.76974       20.62338 ?        ?        39.94932 5.413200 ?              ?        
1 1 1 10  39 20 o 32.11468 6.260907 57.54449       18.97363 62.73000       24.28987 49.42803       30.38873 32.56716 7.735248 27.98823 9.399151 4.578932       12.17284 
1 1 1 10  39 21 o 37.72251 4.008068 73.65498       14.57306 0.000000       0.000000 73.65498       14.57306 ?        ?        37.72251 4.008068 ?              ?        
1 1 1 10  39 22 o 51.51468 6.845054 149.3564       33.66209 0.000000       0.000000 149.3564       33.66209 ?        ?        51.51468 6.845054 ?              ?        
1 1 1 10  39 23 o 20.14183 8.420268 15.00890       27.75820 0.000000       0.000000 15.00890       27.75820 ?        ?        20.14183 8.420268 ?              ?        
1 1 1 10  39 24 o 24.57032 9.111807 35.69600       29.13797 0.000000       0.000000 35.69600       29.13797 ?        ?        24.57032 9.111807 ?              ?        
1 1 1 10  39 25 o 20.78938 8.586733 18.02375       28.37543 0.000000       0.000000 18.02375       28.37543 ?        ?        20.78938 8.586733 ?              ?        
1 1 1 10  39 26 o 64.73087 6.209217 230.5716       38.85997 0.000000       0.000000 230.5716       38.85997 ?        ?        64.73087 6.209217 ?              ?        
1 1 1 10  39 27 o 30.43966 10.08991 62.69000       35.03921 0.000000       0.000000 62.69000       35.03921 ?        ?        30.43966 10.08991 ?              ?        
1 1 1 10  39 28 o 26.34868 9.197356 43.88493       29.16560 0.000000       0.000000 43.88493       29.16560 ?        ?        26.34868 9.197356 ?              ?        
1 1 1 10  39 29 o 23.23332 10.67222 8.173000       55.42112 0.000000       0.000000 8.173000       55.42112 ?        ?        23.23332 10.67222 ?              ?        
1 1 1 10  39 30 o 31.66258 9.094248 65.13903       29.66939 0.000000       0.000000 65.13903       29.66939 ?        ?        31.66258 9.094248 ?              ?        
1 1 1 10  39 31 o 16.80414 7.534486 -0.6553349     25.64781 0.000000       0.000000 -0.6553349     25.64781 ?        ?        16.80414 7.534486 ?              ?        
1 1 1 10  39 32 o 32.33513 8.819431 67.89601       28.68013 0.000000       0.000000 67.89601       28.68013 ?        ?        32.33513 8.819431 ?              ?        
1 1 1 10  39 33 o 30.64710 8.803949 61.75431       27.80341 0.000000       0.000000 61.75431       27.80341 ?        ?        30.64710 8.803949 ?              ?        
1 1 1 10  40 0  o 29.08813 7.223779 48.78325       20.47397 58.10000       44.49872 46.28129       23.05976 29.73148 11.21225 27.92712 8.016318 1.804365       13.78318 
1 1 1 10  40 1  o 19.04898 7.385115 16.31011       19.65967 30.26000       42.00293 12.39671       22.24701 24.98301 10.39426 18.68806 7.648469 6.294945       12.90503 
1 1 1 10  40 2  o 39.04330 6.111504 83.40644       22.59060 0.000000       0.000000 83.40644       22.59060 ?        ?        39.04330 6.111504 ?              ?        
1 1 1 10  40 3  o 34.40068 8.058793 70.05023       26.65750 71.50000       44.60328 69.24462       33.24908 32.21420 11.36392 32.96160 9.674481 -0.7474022     14.92429 
1 1 1 10  40 4  o 35.78884 5.944962 69.96500       20.09549 69.76000       42.18467 70.02517       22.85539 32.02222 11.06788 35.21167 6.878045 -3.189449      13.03094 
1 1 1 10  40 5  o 23.19204 7.446834 30.72298       19.16141 7.596000       40.28385 37.48556       21.78350 21.56239 9.569578 25.26596 7.919447 -3.703579      12.42153 
1 1 1 10  40 6  o 26.25025 7.312069 40.04168       19.48236 56.67000       41.19169 35.25007       22.11192 29.36761 10.84414 24.55930 8.009051 4.808313       13.48111 
1 1 1 10  40 7  o 22.96368 7.475169 30.13642       19.26670 46.51000       40.49306 25.34489       21.90512 27.40109 10.60549 21.70285 7.925519 5.698242       13.23973 
1 1 1 10  40 8  o 31.51184 6.646863 56.15562       19.85592 51.69000       40.18255 57.59830       22.83915 28.30633 10.65902 31.35016 7.536193 -3.043831      13.05408 
1 1 1 10  40 9  o 31.50988 7.591681 58.34441       23.13616 0.000000       0.000000 58.34441       23.13616 ?        ?        31.50988 7.591681 ?              ?        
1 1 1 10  40 10 o 44.15462 5.867843 106.0140       24.73347 0.000000       0.000000 106.0140       24.73347 ?        ?        44.15462 5.867843 ?              ?        
1 1 1 10  40 11 o 59.64769 4.139740 183.4541       24.01983 190.6000       45.67555 180.7225       28.24004 56.52837 8.519290 58.55012 4.974607 -2.021751      9.865344 
1 1 1 10  40 12 o 21.43466 7.829881 24.83366       21.38197 22.85000       36.34220 25.88384       26.44302 22.89290 9.606827 22.23215 8.579570 0.6607552      12.88022 
1 1 1 10  40 13 o 33.45562 6.056196 61.98786       19.10245 58.92000       32.46454 63.61254       23.62519 30.09951 9.695764 32.92459 7.499004 -2.825081      12.25736 
1 1 1 10  40 14 o 25.77220 7.271176 38.85845       19.13547 43.93000       30.47005 35.55564       24.58920 26.58991 9.391387 24.49601 8.450800 2.093904       12.63385 
1 1 1 10  40 15 o 22.42250 7.078007 28.70442       17.37077 22.71000       28.57772 32.21700       21.87596 21.82441 8.763929 23.54638 7.974793 -1.721968      11.84921 
1 1 1 10  40 16 o 35.80358 6.216904 71.15363       20.99751 37.45000       28.39779 111.8053       31.18785 25.05022 9.041749 43.95992 7.518062 -18.90970      11.75902 
1 1 1 10  40 17 o 13.65179 6.160937 -4.881083      17.46540 -4.711000      24.12907 -5.068268      25.31305 15.98243 7.224401 16.28621 7.376895 -0.3037796     10.32524 
1 1 1 10  40 18 o 51.98969 3.800982 138.7169       19.20914 103.8000       30.93344 160.6327       24.50696 41.95794 7.819573 55.41639 4.558248 -13.45845      9.051152 
1 1 1 10  40 19 o 27.10278 7.096056 42.86806       19.04291 0.000000       0.000000 42.86806       19.04291 ?        ?        27.10278 7.096056 ?              ?        
1 1 1 10  40 20 o 37.23340 5.813554 76.07553       20.49543 0.000000       0.000000 76.07553       20.49543 ?        ?        37.23340 5.813554 ?              ?        
1 1 1 10  40 21 o 29.78313 9.243169 57.03028       29.75287 0.000000       0.000000 57.03028       29.75287 ?        ?        29.78313 9.243169 ?              ?        
1 1 1 10  40 22 o 23.01753 8.841334 29.40135       27.98890 0.000000       0.000000 29.40135       27.98890 ?        ?        23.01753 8.841334 ?              ?        
1 1 1 10  40 23 o 14.95242 7.075318 -20.94370      27.45380 0.000000       0.000000 -20.94370      27.45380 ?        ?        14.95242 7.075318 ?              ?        
1 1 1 10  40 24 f 22.40170 8.902432 26.29526       29.17983 0.000000       0.000000 26.29526       29.17983 ?        ?        22.40170 8.902432 ?              ?        
1 1 1 10  40 25 o 19.99596 8.435658 14.53305       28.25658 0.000000       0.000000 14.53305       28.25658 ?        ?        19.99596 8.435658 ?              ?        
1 1 1 10  40 26 o 25.77625 9.787038 41.75000       34.04035 0.000000       0.000000 41.75000       34.04035 ?        ?        25.77625 9.787038 ?              ?        
1 1 1 10  40 27 o 16.10041 7.470573 -11.70410      28.16404 0.000000       0.000000 -11.70410      28.16404 ?        ?        16.10041 7.470573 ?              ?        
1 1 1 10  40 28 o 21.40624 10.09229 -9.689000      54.92309 0.000000       0.000000 -9.689000      54.92309 ?        ?        21.40624 10.09229 ?              ?        
1 1 1 10  40 29 o 25.37280 9.055703 41.28031       28.39683 0.000000       0.000000 41.28031       28.39683 ?        ?        25.37280 9.055703 ?              ?        
1 1 1 10  40 30 o 36.55064 8.446861 84.50282       29.61390 0.000000       0.000000 84.50282       29.61390 ?        ?        36.55064 8.446861 ?              ?        
1 1 1 10  40 31 o 23.05756 8.725376 32.56997       27.00152 0.000000       0.000000 32.56997       27.00152 ?        ?        23.05756 8.725376 ?              ?        
1 1 1 10  41 0  o 56.82380 6.842584 181.3000       37.29387 0.000000       0.000000 181.3000       37.29387 ?        ?        56.82380 6.842584 ?              ?        
1 1 1 10  41 1  o 41.25736 7.039551 96.99656       27.40914 89.76000       45.37030 101.1555       34.39502 35.28278 11.47003 40.46193 8.924521 -5.179157      14.53302 
1 1 1 10  41 2  o 31.64870 8.340593 61.18036       26.19697 56.06000       43.24326 64.14902       32.92677 28.87153 11.01459 31.33731 9.723389 -2.465773      14.69236 
1 1 1 10  41 3  o 18.09276 7.052056 14.50972       18.00129 -0.2739000     40.22079 18.21282       20.12997 20.39636 9.262444 19.47529 7.493551 0.9210701      11.91412 
1 1 1 10  41 4  o 33.18304 6.362292 61.75249       19.91330 100.6000       43.33681 51.35481       22.42041 37.98733 11.01559 29.35193 7.706815 8.635397       13.44389 
1 1 1 10  41 5  o 35.20714 6.242337 69.05193       20.72460 82.56000       44.57637 65.32695       23.40834 33.83547 11.38389 33.45984 7.348747 0.3756294      13.54980 
1 1 1 10  41 6  o 22.90267 7.508586 30.34270       19.42284 21.95000       41.19181 32.74215       22.02500 23.26968 10.01114 23.63873 8.001942 -0.3690529     12.81616 
1 1 1 10  41 7  o 42.78102 5.320672 98.26111       21.80035 58.32000       45.21561 110.3579       24.88360 29.15584 11.22755 45.02354 5.779474 -15.86770      12.62776 
1 1 1 10  41 8  o 21.12356 7.561238 24.41748       19.81239 -36.93000      39.32520 45.28578       22.93591 16.79572 8.087415 27.36457 8.036127 -10.56885      11.40112 
1 1 1 10  41 9  o 32.87431 6.449681 60.86069       20.01232 43.42000       38.40833 67.36002       23.44649 26.50288 10.30919 34.06056 7.255026 -7.557684      12.60614 
1 1 1 10  41 10 o 19.67651 7.714987 17.98420       21.65021 0.000000       0.000000 17.98420       21.65021 ?        ?        19.67651 7.714987 ?              ?        
1 1 1 10  41 11 o 24.01730 8.117867 33.98114       22.66744 0.000000       0.000000 33.98114       22.66744 ?        ?        24.01730 8.117867 ?              ?        
1 1 1 10  41 12 o 18.24318 7.573751 11.20002       22.23199 25.65000       34.34932 0.7830000      29.16463 23.00112 9.468534 18.13859 8.090546 4.862532       12.45432 
1 1 1 10  41 13 o 35.97337 6.143906 71.96196       20.85757 75.15000       32.52192 69.73447       27.18456 34.07491 9.430617 33.78777 8.284408 0.2871323      12.55261 
1 1 1 10  41 14 o 36.76366 5.407655 73.19655       18.87870 48.74000       29.39043 90.37545       24.63237 27.65004 9.242897 40.11864 6.494513 -12.46860      11.29645 
1 1 1 10  41 15 o 37.99337 6.040254 79.81980       21.71198 71.19000       29.29622 90.33575       32.33964 33.71249 8.789198 38.08942 8.844246 -4.376930      12.46879 
1 1 1 10  41 16 o 24.59876 6.816953 35.08548       16.98089 50.73000       27.16582 25.05257       21.75480 28.34767 8.837683 21.40052 7.884528 6.947145       11.84358 
1 1 1 10  41 17 o 17.40585 6.654648 13.97613       15.80651 6.157000       24.59208 19.48033       20.63304 17.79251 7.695409 19.79381 7.594173 -2.001303      10.81160 
1 1 1 10  41 18 o 20.11692 6.687437 22.47987       15.38939 19.67000       24.42163 24.33054       19.81967 20.42199 8.134950 21.02043 7.557993 -0.5984440     11.10408 
1 1 1 10  41 19 o 27.17375 7.053517 43.26512       18.92298 0.000000       0.000000 43.26512       18.92298 ?        ?        27.17375 7.053517 ?              ?        
1 1 1 10  41 20 o 16.13094 5.988489 12.26579       12.59211 0.000000       0.000000 12.26579       12.59211 ?        ?        16.13094 5.988489 ?              ?        
1 1 1 10  41 21 o 53.34528 7.056395 163.0598       35.94279 0.000000       0.000000 163.0598       35.94279 ?        ?        53.34528 7.056395 ?              ?        
1 1 1 10  41 22 o 28.09786 9.346058 51.59226       30.05692 0.000000       0.000000 51.59226       30.05692 ?        ?        28.09786 9.346058 ?              ?        
1 1 1 10  41 23 o 25.72098 9.034460 41.70018       28.16927 0.000000       0.000000 41.70018       28.16927 ?        ?        25.72098 9.034460 ?              ?        
1 1 1 10  41 24 o 28.21445 9.951467 53.64000       34.20360 0.000000       0.000000 53.64000       34.20360 ?        ?        28.21445 9.951467 ?              ?        
1 1 1 10  41 25 o 17.22147 7.687763 0.8598057      26.38949 0.000000       0.000000 0.8598057      26.38949 ?        ?        17.22147 7.687763 ?              ?        
1 1 1 10  41 26 o 27.81895 11.80851 56.62000       55.93858 0.000000       0.000000 56.62000       55.93858 ?        ?        27.81895 11.80851 ?              ?        
1 1 1 10  41 27 o 18.67169 8.057433 10.10675       26.84026 0.000000       0.000000 10.10675       26.84026 ?        ?        18.67169 8.057433 ?              ?        
1 1 1 10  41 28 o 20.87644 8.490253 22.30977       27.20374 0.000000       0.000000 22.30977       27.20374 ?        ?        20.87644 8.490253 ?              ?        
1 1 1 10  41 29 o 15.89198 7.250861 -4.470171      25.01457 0.000000       0.000000 -4.470171      25.01457 ?        ?        15.89198 7.250861 ?              ?        
1 1 1 10  42 0  o 19.83413 8.168825 15.64218       25.58302 5.413000       41.83000 21.75480       32.33563 21.24252 9.565191 22.04945 9.142235 -0.8069248     13.23153 
1 1 1 10  42 1  o 33.15723 9.826424 72.68517       34.16418 85.39000       45.05089 55.49000       52.41097 34.22319 11.44351 28.60166 11.72648 5.621532       16.38488 
1 1 1 10  42 2  o 22.80298 7.389385 30.11646       18.83887 -14.78000      42.26160 41.25017       21.04553 19.25067 9.004983 26.26798 7.693404 -7.017313      11.84391 
1 1 1 10  42 3  o 21.79422 8.857432 22.52912       29.58369 8.582000       41.81986 36.50000       41.85548 21.57926 9.652291 25.37699 10.44985 -3.797728      14.22555 
1 1 1 10  42 4  o 19.55486 7.345630 19.39898       19.05828 -16.85000      42.12632 28.72744       21.37030 19.00164 8.921108 22.40197 7.868978 -3.400333      11.89567 
1 1 1 10  42 5  o 22.77112 7.418339 30.13618       18.97291 -8.508000      39.46131 41.75539       21.63803 19.24227 8.898503 26.31717 7.825448 -7.074894      11.84994 
1 1 1 10  42 6  o 19.24885 7.225357 18.71245       18.43202 32.08000       36.51037 14.14019       21.35285 24.18817 9.836351 18.62778 7.541678 5.560390       12.39479 
1 1 1 10  42 7  o 16.35256 6.851278 7.274302       18.43871 -8.574000      35.63157 13.07041       21.54825 18.40188 8.490599 18.42407 7.532385 -0.2219200E-01 11.35020 
1 1 1 10  42 8  o 42.11555 5.071716 94.82578       20.48724 71.72000       39.05641 103.5970       24.06367 31.98869 10.65411 43.50548 5.794798 -11.51679      12.12806 
1 1 1 10  42 9  o 35.05822 6.045970 68.29826       19.99812 68.49000       37.56040 68.22240       23.62512 31.47927 10.44702 34.14660 7.290254 -2.667320      12.73923 
1 1 1 10  42 10 o 18.09777 7.113602 14.48339       18.44565 12.89000       33.54453 15.17402       22.08425 20.71631 8.973765 19.00218 7.678211 1.714134       11.81031 
1 1 1 10  42 11 o 40.69495 7.171875 95.78344       27.52456 0.000000       0.000000 95.78344       27.52456 ?        ?        40.69495 7.171875 ?              ?        
1 1 1 10  42 12 o 34.84832 5.930910 67.31567       19.50662 80.94000       31.17329 58.54776       25.00767 35.76204 8.932377 30.87653 8.154733 4.885517       12.09492 
1 1 1 10  42 13 o 34.56795 8.100277 72.69321       26.92646 71.88000       30.69297 75.41000       56.10013 33.44413 9.124391 31.06233 12.34393 2.381802       15.35015 
1 1 1 10  42 14 o 20.80844 7.772307 23.19985       21.27381 19.42000       28.05307 28.31549       32.63569 20.87901 8.571820 23.11315 9.335872 -2.234140      12.67417 
1 1 1 10  42 15 o 42.32765 4.846968 95.23250       19.71995 58.24000       32.44437 116.9052       24.83359 29.58242 9.704793 46.37024 5.583573 -16.78782      11.19640 
1 1 1 10  42 16 f 20.49838 6.966407 23.51111       16.69469 8.453000       25.55700 34.71931       22.04919 18.37428 7.895033 24.06039 8.004887 -5.686115      11.24321 
1 1 1 10  42 17 o 28.90642 6.250660 47.39096       17.17013 33.79000       27.49569 56.08511       21.98334 23.84274 8.849559 30.71711 7.399777 -6.874369      11.53566 
1 1 1 10  42 18 o 20.73979 6.836927 24.43752       16.09484 0.000000       0.000000 24.43752       16.09484 ?        ?        20.73979 6.836927 ?              ?        
1 1 1 10  42 19 o 12.28117 5.555514 -4.694968      14.30038 0.000000       0.000000 -4.694968      14.30038 ?        ?        12.28117 5.555514 ?              ?        
1 1 1 10  42 20 o 35.35303 8.877216 79.69798       30.67150 0.000000       0.000000 79.69798       30.67150 ?        ?        35.35303 8.877216 ?              ?        
1 1 1 10  42 21 o 38.67569 8.523122 93.11871       31.39446 0.000000       0.000000 93.11871       31.39446 ?        ?        38.67569 8.523122 ?              ?        
1 1 1 10  42 22 o 20.84845 8.886884 17.36000       31.91360 0.000000       0.000000 17.36000       31.91360 ?        ?        20.84845 8.886884 ?              ?        
1 1 1 10  42 23 o 23.53848 9.435493 32.50000       33.06374 0.000000       0.000000 32.50000       33.06374 ?        ?        23.53848 9.435493 ?              ?        
1 1 1 10  42 24 o 20.67174 8.450103 20.90178       27.11405 0.000000       0.000000 20.90178       27.11405 ?        ?        20.67174 8.450103 ?              ?        
1 1 1 10  42 25 o 28.67505 12.11718 68.74000       58.45985 0.000000       0.000000 68.74000       58.45985 ?        ?        28.67505 12.11718 ?              ?        
1 1 1 10  42 26 o 14.33639 6.816706 -19.76335      26.09016 0.000000       0.000000 -19.76335      26.09016 ?        ?        14.33639 6.816706 ?              ?        
1 1 1 10  42 27 o 21.51786 8.917052 24.70000       30.73943 0.000000       0.000000 24.70000       30.73943 ?        ?        21.51786 8.917052 ?              ?        
1 1 1 10  43 0  o 70.66554 4.350348 260.2799       29.94522 0.000000       0.000000 260.2799       29.94522 ?        ?        70.66554 4.350348 ?              ?        
1 1 1 10  43 1  f 29.34127 6.856519 50.07447       19.33576 47.84000       42.81829 50.64685       21.67123 26.96188 10.76118 29.04193 7.553328 -2.080057      13.14746 
1 1 1 10  43 2  o 12.41364 5.872787 -16.62405      18.89637 23.70000       38.46848 -29.44846      21.69410 22.90445 9.759910 12.09612 5.868404 10.80833       11.38833 
1 1 1 10  43 3  o 34.66951 6.167175 67.38093       20.16153 16.78000       39.93377 84.69139       23.35691 22.12398 9.683924 38.79328 6.372148 -16.66930      11.59235 
1 1 1 10  43 4  f 21.88678 7.414278 27.61784       18.90895 26.25000       39.06720 28.03631       21.60869 23.34692 9.887491 22.11048 7.898623 1.236443       12.65507 
1 1 1 10  43 5  o 28.38311 7.083182 47.40220       19.61458 -4.881000      38.50517 65.72329       22.79363 19.31437 8.880691 33.50514 7.166988 -14.19077      11.41194 
1 1 1 10  43 6  o 29.54222 9.300926 57.09435       30.01359 33.57000       38.99846 91.27000       47.00533 24.47511 10.08355 34.62622 11.69002 -10.15111      15.43809 
1 1 1 10  43 7  o 17.77442 7.123172 13.06779       18.83899 -10.78000      36.74508 21.57156       21.94225 18.33572 8.516438 20.43281 7.833408 -2.097092      11.57117 
1 1 1 10  43 8  f 25.79855 7.298613 39.60451       19.25305 63.68000       37.78249 31.16015       22.37620 30.17513 10.47216 23.00146 8.054131 7.173677       13.21118 
1 1 1 10  43 9  o 13.73322 6.326191 -9.108489      19.66642 -51.09000      38.19386 6.038027       22.94145 15.37739 7.531284 17.27651 7.452283 -1.899125      10.59513 
1 1 1 10  43 10 f 20.12725 7.592225 21.19786       20.40615 32.66000       37.76608 16.47154       24.25108 24.21065 9.943298 19.60896 8.000695 4.601685       12.76246 
1 1 1 10  43 11 o 25.92265 8.090596 41.27481       22.76036 0.000000       0.000000 41.27481       22.76036 ?        ?        25.92265 8.090596 ?              ?        
1 1 1 10  43 12 o 33.32438 10.09558 76.23441       35.76432 0.000000       0.000000 76.23441       35.76432 ?        ?        33.32438 10.09558 ?              ?        
1 1 1 10  43 13 o 42.64752 5.479881 99.09502       22.34751 105.8000       34.03975 94.01604       29.62621 41.09572 8.731816 39.44014 7.949075 1.655579       11.80815 
1 1 1 10  43 14 o 24.73514 7.140447 36.35895       18.24710 34.73000       29.42467 37.37680       23.25953 23.98519 9.101120 24.64936 8.222179 -0.6641731     12.26518 
1 1 1 10  43 15 o 25.44547 6.834497 38.04857       17.38170 11.71000       27.13804 56.36907       22.63346 19.15535 8.180973 30.52626 7.603461 -11.37090      11.16875 
1 1 1 10  43 16 o 39.21013 5.007020 82.64026       18.77906 73.79000       29.75118 88.50165       24.21178 33.89823 8.866805 39.46680 6.493016 -5.568577      10.98997 
1 1 1 10  43 17 o 41.66226 4.770894 92.46959       19.10529 0.000000       0.000000 92.46959       19.10529 ?        ?        41.66226 4.770894 ?              ?        
1 1 1 10  43 18 o 15.01465 6.302893 5.732399       15.65151 0.000000       0.000000 5.732399       15.65151 ?        ?        15.01465 6.302893 ?              ?        
1 1 1 10  43 19 o 19.86778 8.330475 16.23916       27.29219 0.000000       0.000000 16.23916       27.29219 ?        ?        19.86778 8.330475 ?              ?        
1 1 1 10  43 20 o 24.61254 9.111594 38.72208       29.11367 0.000000       0.000000 38.72208       29.11367 ?        ?        24.61254 9.111594 ?              ?        
1 1 1 10  43 21 o 23.70381 9.325382 34.74000       31.72359 0.000000       0.000000 34.74000       31.72359 ?        ?        23.70381 9.325382 ?              ?        
1 1 1 10  43 22 o 23.91859 8.948363 36.57064       28.22189 0.000000       0.000000 36.57064       28.22189 ?        ?        23.91859 8.948363 ?              ?        
1 1 1 10  43 23 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  43 24 o 24.12828 9.409537 38.14000       32.06222 0.000000       0.000000 38.14000       32.06222 ?        ?        24.12828 9.409537 ?              ?        
1 1 1 10  44 0  o 14.72352 6.483863 0.2247782      18.15020 -6.808000      37.80045 2.332031       20.69149 18.88282 8.724127 15.93137 6.972094 2.951457       11.16783 
1 1 1 10  44 1  o 18.12263 7.494548 12.11903       21.65248 0.000000       0.000000 12.11903       21.65248 ?        ?        18.12263 7.494548 ?              ?        
1 1 1 10  44 2  o 23.79310 7.457283 33.80981       19.31553 -12.61000      40.29776 47.65573       22.00849 18.80239 8.794635 27.93277 7.768298 -9.130375      11.73423 
1 1 1 10  44 3  o 42.48796 6.021225 100.3734       24.34064 26.38000       43.17047 134.8588       29.47189 23.61509 10.20480 49.08003 6.278327 -25.46494      11.98146 
1 1 1 10  44 4  o 30.42108 6.965011 54.28927       20.29150 86.15000       41.96200 44.56514       23.18216 34.19452 11.02389 26.77494 8.131436 7.419573       13.69841 
1 1 1 10  44 5  o 23.35092 7.448611 32.53572       19.19429 -28.35000      39.24578 51.67835       22.00575 17.17710 8.220497 29.16957 7.623727 -11.99246      11.21150 
1 1 1 10  44 6  o 15.02997 6.623179 0.5370610      18.96773 -7.099000      37.52932 3.156808       21.98192 18.73645 8.669280 16.41854 7.185732 2.317907       11.26016 
1 1 1 10  44 7  o 18.50355 7.320283 15.74743       19.64633 4.319000       40.44872 19.27599       22.47555 20.48049 9.295915 19.82169 7.833455 0.6588020      12.15636 
1 1 1 10  44 8  o 40.96111 5.943530 93.36419       23.13473 97.42000       41.66673 91.55659       27.81636 36.62685 10.85116 39.20589 7.521927 -2.579044      13.20330 
1 1 1 10  44 9  o 18.92654 8.268900 8.350128       28.99707 -1.522000      36.25773 25.87000       48.30151 19.06646 8.710814 23.87579 10.54315 -4.809328      13.67612 
1 1 1 10  44 10 o 17.74152 7.753632 5.732136       25.51345 6.691000       35.62242 4.722204       36.55873 19.92705 8.911193 19.84633 8.938864 0.8072090E-01  12.62191 
1 1 1 10  44 11 o 20.71858 8.165403 22.12289       24.36029 11.85000       33.34779 33.87679       35.67072 20.24768 8.856349 24.03756 9.741867 -3.789877      13.16582 
1 1 1 10  44 12 o 54.22539 5.404328 159.6714       28.30317 0.000000       0.000000 159.6714       28.30317 ?        ?        54.22539 5.404328 ?              ?        
1 1 1 10  44 13 f 38.55642 5.872647 82.80525       21.46444 74.83000       31.12432 90.03827       29.64062 33.65779 9.190576 38.16984 8.179443 -4.512043      12.30325 
1 1 1 10  44 14 o 16.53881 6.744712 10.26464       17.22435 28.59000       26.77269 -2.676937      22.49880 22.28045 8.623562 15.52564 7.000855 6.754813       11.10756 
1 1 1 10  44 15 o 34.26612 5.750570 65.56692       18.60515 58.10000       29.59954 70.44386       23.92148 29.35802 9.235678 34.25509 7.354240 -4.897078      11.80604 
1 1 1 10  44 16 o 24.57804 7.155190 36.48989       18.25219 0.000000       0.000000 36.48989       18.25219 ?        ?        24.57804 7.155190 ?              ?        
1 1 1 10  44 17 o 27.41673 6.876161 44.87421       18.41823 0.000000       0.000000 44.87421       18.41823 ?        ?        27.41673 6.876161 ?              ?        
1 1 1 10  44 18 o 23.75791 7.952880 35.37011       21.75797 0.000000       0.000000 35.37011       21.75797 ?        ?        23.75791 7.952880 ?              ?        
1 1 1 10  44 19 o 21.16377 8.909142 22.33000       31.40927 0.000000       0.000000 22.33000       31.40927 ?        ?        21.16377 8.909142 ?              ?        
1 1 1 10  44 20 o 18.67012 8.288124 7.827000       30.23711 0.000000       0.000000 7.827000       30.23711 ?        ?        18.67012 8.288124 ?              ?        
1 1 1 10  44 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 10  45 0  o 48.86948 5.127571 128.8321       24.16279 106.9000       43.29495 138.7536       29.11966 38.13656 10.99572 49.81483 6.099105 -11.67827      12.57398 
1 1 1 10  45 1  o 17.05687 7.148968 9.279652       20.08702 -26.75000      36.77831 24.59594       23.97941 16.66592 7.971003 21.19046 8.172105 -4.524536      11.41579 
1 1 1 10  45 2  o 18.06984 7.662436 10.37168       23.51296 0.000000       0.000000 10.37168       23.51296 ?        ?        18.06984 7.662436 ?              ?        
1 1 1 10  45 3  o 19.35808 7.504800 18.93817       20.30176 -45.94000      37.17591 46.50867       24.23453 15.32178 7.488373 27.06420 8.332292 -11.74242      11.20280 
1 1 1 10  45 4  o 25.86872 8.238593 42.16692       23.48912 -21.36000      38.21223 80.75000       29.77982 17.42994 8.276723 35.57914 8.638706 -18.14920      11.96375 
1 1 1 10  45 5  o 23.73467 7.819789 34.47160       21.05603 27.61000       39.55688 37.18442       24.87254 23.16384 9.884536 24.34974 8.493919 -1.185902      13.03268 
1 1 1 10  45 6  o 17.77311 7.282005 12.62403       20.19404 49.62000       36.88073 -3.217110      24.13323 26.74314 10.17939 15.90733 7.204340 10.83580       12.47087 
1 1 1 10  45 7  o 18.39573 7.442083 14.92440       20.77475 11.15000       35.86871 16.82972       25.48444 20.36649 9.034871 19.61421 8.122847 0.7522850      12.14947 
1 1 1 10  45 8  o 11.76811 5.664820 -22.47132      19.25967 -31.14000      33.83443 -18.31602      23.42524 15.50846 7.476140 13.72888 6.507917 1.779576       9.911895 
1 1 1 10  45 9  o 13.75784 6.658677 -31.09063      27.50497 -50.29000      33.63081 7.693000       47.79892 14.05944 6.921958 21.55829 9.905883 -7.498843      12.08470 
1 1 1 10  45 10 o 18.78329 7.492933 16.79657       20.74840 1.622000       34.75468 25.19980       25.86295 18.91131 8.596695 21.33602 8.412016 -2.424704      12.02768 
1 1 1 10  45 11 o 44.14578 5.582446 107.8749       23.58392 86.19000       39.60893 119.7852       29.35458 33.87352 10.68743 45.32197 6.828861 -11.44845      12.68284 
1 1 1 10  45 12 o 22.85999 8.727575 32.08126       27.16281 0.000000       0.000000 32.08126       27.16281 ?        ?        22.85999 8.727575 ?              ?        
1 1 1 10  45 13 o 31.63578 9.150335 68.23000       29.93810 68.23000       29.93810 0.000000       0.000000 31.63578 9.150335 ?        ?        ?              ?        
1 1 1 10  45 14 o 13.23045 6.080657 -7.020276      18.02469 -2.303000      27.00481 -10.81035      24.20579 16.61068 7.561384 14.75177 6.872187 1.858917       10.21770 
1 1 1 10  45 15 f 17.12597 6.968209 12.42677       18.33448 0.000000       0.000000 12.42677       18.33448 ?        ?        17.12597 6.968209 ?              ?        
1 1 1 10  45 16 o 16.09164 7.022851 4.747641       20.86808 0.000000       0.000000 4.747641       20.86808 ?        ?        16.09164 7.022851 ?              ?        
1 1 1 10  45 17 o 22.47719 9.092426 30.81000       31.00714 0.000000       0.000000 30.81000       31.00714 ?        ?        22.47719 9.092426 ?              ?        
1 1 1 10  46 0  o 15.95011 6.794240 6.665481       18.63090 29.06000       37.29491 -0.7817067     21.50676 22.79143 9.656798 15.39315 6.900840 7.398273       11.86909 
1 1 1 10  46 1  o 28.28862 7.222216 48.90448       20.06438 -1.777000      38.77333 67.43960       23.44802 19.09838 8.827950 33.23158 7.398738 -14.13320      11.51842 
1 1 1 10  46 2  o 18.66059 7.294569 17.62935       19.30614 1.512000       38.48739 23.04847       22.31701 19.38938 8.901741 20.37544 7.876817 -0.9860592     11.88635 
1 1 1 10  46 3  o 16.03669 7.063265 3.049058       21.54689 0.000000       0.000000 3.049058       21.54689 ?        ?        16.03669 7.063265 ?              ?        
1 1 1 10  46 4  o 20.72941 7.704015 24.96886       20.85064 13.67000       36.91452 30.26253       25.26728 20.54385 9.136601 22.26304 8.436917 -1.719187      12.43620 
1 1 1 10  46 5  o 17.86451 7.534794 11.72328       22.53558 70.48000       37.45367 -21.62000      28.21433 30.43257 10.43230 14.71762 7.023360 15.71495       12.57618 
1 1 1 10  46 6  o 21.79805 7.742307 28.94696       20.73334 32.88000       37.25908 27.18282       24.95372 23.26018 9.741859 21.48826 8.323143 1.771917       12.81322 
1 1 1 10  46 7  o 34.61537 7.067351 72.14546       23.13505 65.78000       38.76710 75.66632       28.83187 29.11641 10.55678 33.79790 8.672748 -4.681492      13.66243 
1 1 1 10  46 8  o 13.84768 6.687867 -28.00304      27.38014 -49.34000      34.30842 9.423000       45.43822 14.13438 6.965117 20.98953 9.649536 -6.855147      11.90069 
1 1 1 10  46 9  o 23.40111 7.848002 34.80426       21.18682 87.02000       39.05220 13.02500       25.22123 33.49938 10.61749 18.51821 7.897163 14.98118       13.23239 
1 1 1 10  46 10 o 54.68507 4.750069 161.3735       25.17384 130.2000       41.27842 179.8333       31.76457 42.68845 10.04707 56.46120 5.831411 -13.77275      11.61675 
1 1 1 10  46 11 o 30.75603 6.983818 57.37446       20.54314 54.38000       31.75965 59.52858       26.93712 27.40349 9.595416 29.64329 8.709895 -2.239796      12.95895 
1 1 1 10  46 12 o 18.79715 8.233971 11.25000       28.91918 0.000000       0.000000 11.25000       28.91918 ?        ?        18.79715 8.233971 ?              ?        
1 1 1 10  47 0  o 13.23230 6.102225 -7.155240      18.37108 -12.96000      37.67327 -5.344254      21.04257 17.50471 8.284575 14.38799 6.596876 3.116717       10.59023 
1 1 1 10  47 1  o 17.31321 7.263760 11.67452       20.76957 20.35000       37.01000 7.686330       25.09346 21.05234 9.265287 17.45196 7.656645 3.600378       12.01956 
1 1 1 10  47 2  o 38.46478 6.623588 87.75121       24.03837 65.67000       41.06906 99.25842       29.64752 28.24405 10.74395 39.48904 7.945641 -11.24498      13.36285 
1 1 1 10  47 3  o 18.35517 8.217730 7.283942       30.38778 14.51000       36.86500 -8.034000      53.67397 20.23679 9.056362 20.17087 9.642478 0.6591988E-01  13.22857 
1 1 1 10  47 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  0  o 23.72134 10.11538 39.16000       23.90352 39.16000       23.90352 39.16000       23.90352 23.72134 10.11538 23.72134 10.11538 0.000000       0.000000 
1 1 1 11  0  1  o 88.06880 5.516339 384.2000       47.12048 384.2000       47.12048 384.2000       47.12048 88.06880 5.516339 88.06880 5.516339 0.000000       0.000000 
1 1 1 11  0  2  o 477.5737 18.05294 11260.00       841.1652 11260.00       841.1652 11260.00       841.1652 477.5737 18.05294 477.5737 18.05294 0.000000       0.000000 
1 1 1 11  0  3  o 214.4854 6.192202 2258.320       129.7564 2258.320       129.7564 2258.320       129.7564 214.4854 6.192202 214.4854 6.192202 0.000000       0.000000 
1 1 1 11  0  4  o 551.1268 14.58542 14941.05       785.5765 14941.05       785.5765 14941.05       785.5765 551.1268 14.58542 551.1268 14.58542 0.000000       0.000000 
1 1 1 11  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  6  o 362.5017 9.782537 6454.274       346.5391 6454.274       346.5391 6454.274       346.5391 362.5017 9.782537 362.5017 9.782537 0.000000       0.000000 
1 1 1 11  0  7  o 563.7576 14.91542 15639.25       821.7628 15639.25       821.7628 15639.25       821.7628 563.7576 14.91542 563.7576 14.91542 0.000000       0.000000 
1 1 1 11  0  8  o 343.8699 9.322271 5807.715       313.2564 5807.715       313.2564 5807.715       313.2564 343.8699 9.322271 343.8699 9.322271 0.000000       0.000000 
1 1 1 11  0  9  o 157.6181 5.005898 1220.044       77.05493 1220.044       77.05493 1220.044       77.05493 157.6181 5.005898 157.6181 5.005898 0.000000       0.000000 
1 1 1 11  0  10 o 628.9802 16.62207 19494.70       1021.744 19494.70       1021.744 19494.70       1021.744 628.9802 16.62207 628.9802 16.62207 0.000000       0.000000 
1 1 1 11  0  11 o 240.4543 6.822195 2839.002       160.2771 2839.002       160.2771 2839.002       160.2771 240.4543 6.822195 240.4543 6.822195 0.000000       0.000000 
1 1 1 11  0  12 o 381.6020 10.28924 7158.009       383.6947 7158.009       383.6947 7158.009       383.6947 381.6020 10.28924 381.6020 10.28924 0.000000       0.000000 
1 1 1 11  0  13 o 287.1789 7.947844 4051.365       223.0259 4051.365       223.0259 4051.365       223.0259 287.1789 7.947844 287.1789 7.947844 0.000000       0.000000 
1 1 1 11  0  14 o 289.9822 8.022983 4131.563       227.3323 4131.563       227.3323 4131.563       227.3323 289.9822 8.022983 289.9822 8.022983 0.000000       0.000000 
1 1 1 11  0  15 o 291.1643 8.059643 4166.078       229.3016 4166.078       229.3016 4166.078       229.3016 291.1643 8.059643 291.1643 8.059643 0.000000       0.000000 
1 1 1 11  0  16 o 326.6050 8.940547 5245.205       285.3361 5245.205       285.3361 5245.205       285.3361 326.6050 8.940547 326.6050 8.940547 0.000000       0.000000 
1 1 1 11  0  17 o 58.38691 4.555916 169.9859       25.66268 169.9859       25.66268 169.9859       25.66268 58.38691 4.555916 58.38691 4.555916 0.000000       0.000000 
1 1 1 11  0  18 o 97.78411 4.237357 470.9078       40.38364 470.9078       40.38364 470.9078       40.38364 97.78411 4.237357 97.78411 4.237357 0.000000       0.000000 
1 1 1 11  0  19 f 10.93319 7.152792 -2.617566      18.92235 -2.617566      18.92235 -2.617566      18.92235 10.93319 7.152792 10.93319 7.152792 0.000000       0.000000 
1 1 1 11  0  20 o 99.98030 4.350621 492.3921       42.39278 492.3921       42.39278 492.3921       42.39278 99.98030 4.350621 99.98030 4.350621 0.000000       0.000000 
1 1 1 11  0  21 o 435.4157 11.72994 9358.856       499.1063 9358.856       499.1063 9358.856       499.1063 435.4157 11.72994 435.4157 11.72994 0.000000       0.000000 
1 1 1 11  0  22 o 157.3921 5.214253 1218.036       80.13065 1218.036       80.13065 1218.036       80.13065 157.3921 5.214253 157.3921 5.214253 0.000000       0.000000 
1 1 1 11  0  23 o 84.86449 4.720952 356.1513       38.93636 356.1513       38.93636 356.1513       38.93636 84.86449 4.720952 84.86449 4.720952 0.000000       0.000000 
1 1 1 11  0  24 o 214.2404 8.910800 2268.000       186.1267 2268.000       186.1267 2268.000       186.1267 214.2404 8.910800 214.2404 8.910800 0.000000       0.000000 
1 1 1 11  0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  26 o 38.04130 7.819436 79.38077       25.72379 79.38077       25.72379 79.38077       25.72379 38.04130 7.819436 38.04130 7.819436 0.000000       0.000000 
1 1 1 11  0  27 o 227.8107 6.630827 2554.337       147.5755 2554.337       147.5755 2554.337       147.5755 227.8107 6.630827 227.8107 6.630827 0.000000       0.000000 
1 1 1 11  0  28 o 22.85787 9.884503 36.72129       22.78422 36.72129       22.78422 36.72129       22.78422 22.85787 9.884503 22.85787 9.884503 0.000000       0.000000 
1 1 1 11  0  29 o 79.93673 5.928922 318.8000       45.79044 318.8000       45.79044 318.8000       45.79044 79.93673 5.928922 79.93673 5.928922 0.000000       0.000000 
1 1 1 11  0  30 o 61.77204 6.245055 193.1000       36.80478 193.1000       36.80478 193.1000       36.80478 61.77204 6.245055 61.77204 6.245055 0.000000       0.000000 
1 1 1 11  0  31 o 121.9867 4.622880 733.2172       55.01876 733.2172       55.01876 733.2172       55.01876 121.9867 4.622880 121.9867 4.622880 0.000000       0.000000 
1 1 1 11  0  32 o 11.26215 7.359261 -2.343105      19.94385 -2.343105      19.94385 -2.343105      19.94385 11.26215 7.359261 11.26215 7.359261 0.000000       0.000000 
1 1 1 11  0  33 o 50.75351 9.569799 140.2000       42.61045 140.2000       42.61045 140.2000       42.61045 50.75351 9.569799 50.75351 9.569799 0.000000       0.000000 
1 1 1 11  0  34 o 109.5916 6.800073 599.6000       72.29447 599.6000       72.29447 599.6000       72.29447 109.5916 6.800073 109.5916 6.800073 0.000000       0.000000 
1 1 1 11  0  35 f 65.94836 4.705425 217.0949       30.01235 217.0949       30.01235 217.0949       30.01235 65.94836 4.705425 65.94836 4.705425 0.000000       0.000000 
1 1 1 11  0  36 o 26.80407 9.223001 46.32747       21.77049 46.32747       21.77049 46.32747       21.77049 26.80407 9.223001 26.80407 9.223001 0.000000       0.000000 
1 1 1 11  0  37 o 114.7323 4.592261 651.2412       51.38443 651.2412       51.38443 651.2412       51.38443 114.7323 4.592261 114.7323 4.592261 0.000000       0.000000 
1 1 1 11  0  38 o 126.1927 4.753171 788.2500       58.52220 788.2500       58.52220 788.2500       58.52220 126.1927 4.753171 126.1927 4.753171 0.000000       0.000000 
1 1 1 11  0  39 o 63.36534 4.924659 201.6724       30.10870 201.6724       30.10870 201.6724       30.10870 63.36534 4.924659 63.36534 4.924659 0.000000       0.000000 
1 1 1 11  0  40 o 73.63388 4.737428 270.8732       33.81658 270.8732       33.81658 270.8732       33.81658 73.63388 4.737428 73.63388 4.737428 0.000000       0.000000 
1 1 1 11  0  41 o 24.05099 9.892062 40.75558       23.02808 40.75558       23.02808 40.75558       23.02808 24.05099 9.892062 24.05099 9.892062 0.000000       0.000000 
1 1 1 11  0  42 o 67.71227 4.981063 230.4500       32.59414 230.4500       32.59414 230.4500       32.59414 67.71227 4.981063 67.71227 4.981063 0.000000       0.000000 
1 1 1 11  0  43 o 76.08955 4.927433 290.3276       36.34108 290.3276       36.34108 290.3276       36.34108 76.08955 4.927433 76.08955 4.927433 0.000000       0.000000 
1 1 1 11  0  44 o 19.70875 9.892852 29.55313       23.42919 29.55313       23.42919 29.55313       23.42919 19.70875 9.892852 19.70875 9.892852 0.000000       0.000000 
1 1 1 11  0  45 o 80.88641 4.934818 328.8132       38.73423 328.8132       38.73423 328.8132       38.73423 80.88641 4.934818 80.88641 4.934818 0.000000       0.000000 
1 1 1 11  0  46 o 93.40341 4.737694 436.9579       43.05915 436.9579       43.05915 436.9579       43.05915 93.40341 4.737694 93.40341 4.737694 0.000000       0.000000 
1 1 1 11  0  47 o 56.73262 6.868410 169.5000       36.65618 169.5000       36.65618 169.5000       36.65618 56.73262 6.868410 56.73262 6.868410 0.000000       0.000000 
1 1 1 11  0  48 o 17.42207 9.933883 21.90000       26.52777 21.90000       26.52777 21.90000       26.52777 17.42207 9.933883 17.42207 9.933883 0.000000       0.000000 
1 1 1 11  0  49 o 22.17369 13.32408 35.59000       52.11576 35.59000       52.11576 35.59000       52.11576 22.17369 13.32408 22.17369 13.32408 0.000000       0.000000 
1 1 1 11  0  50 o 13.07762 9.258269 -51.87000      48.90184 -51.87000      48.90184 -51.87000      48.90184 13.07762 9.258269 13.07762 9.258269 0.000000       0.000000 
1 1 1 11  0  51 o 17.44085 9.569023 23.32650       23.47623 23.32650       23.47623 23.32650       23.47623 17.44085 9.569023 17.44085 9.569023 0.000000       0.000000 
1 1 1 11  0  52 o 12.45063 8.079636 1.217236       23.45742 1.217236       23.45742 1.217236       23.45742 12.45063 8.079636 12.45063 8.079636 0.000000       0.000000 
1 1 1 11  0  53 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  0  54 o 10.02630 6.908832 -14.32733      22.48616 -14.32733      22.48616 -14.32733      22.48616 10.02630 6.908832 10.02630 6.908832 0.000000       0.000000 
1 1 1 11  0  55 o 39.20971 9.778895 93.80000       32.47171 93.80000       32.47171 93.80000       32.47171 39.20971 9.778895 39.20971 9.778895 0.000000       0.000000 
1 1 1 11  0  56 o 19.39594 10.15140 30.31067       25.31995 30.31067       25.31995 30.31067       25.31995 19.39594 10.15140 19.39594 10.15140 0.000000       0.000000 
1 1 1 11  0  57 o 35.20926 9.321699 76.58358       27.75563 76.58358       27.75563 76.58358       27.75563 35.20926 9.321699 35.20926 9.321699 0.000000       0.000000 
1 1 1 11  0  58 o 15.23187 9.588131 10.57000       30.08751 10.57000       30.08751 10.57000       30.08751 15.23187 9.588131 15.23187 9.588131 0.000000       0.000000 
1 1 1 11  0  59 o 7.246860 5.331847 -72.48000      26.42092 -72.48000      26.42092 -72.48000      26.42092 7.246860 5.331847 7.246860 5.331847 0.000000       0.000000 
1 1 1 11  0  60 o 16.04808 9.972178 14.91000       31.46354 14.91000       31.46354 14.91000       31.46354 16.04808 9.972178 16.04808 9.972178 0.000000       0.000000 
1 1 1 11  1  0  o 314.3546 8.566374 4849.630       263.3407 4617.000       360.1194 5117.000       386.0739 306.3030 12.03469 322.4548 12.25424 -16.15176      17.17557 
1 1 1 11  1  1  o 252.1637 7.054654 3118.698       173.9553 2910.000       235.1408 3371.000       258.5405 243.3154 9.893705 261.8863 10.10474 -18.57095      14.14182 
1 1 1 11  1  2  o 661.4121 14.20501 21529.65       919.6446 22180.00       1627.274 21224.46       1114.731 667.0303 24.96756 655.5779 17.38695 11.45245       30.42507 
1 1 1 11  1  3  o 472.4558 10.22873 10956.30       473.0303 11190.00       831.8262 10844.61       575.0643 475.7167 17.89587 469.5361 12.52360 6.180664       21.84268 
1 1 1 11  1  4  o 205.9639 4.225547 2077.195       85.18839 2002.989       117.8848 2158.300       123.2428 202.1133 5.965301 209.8068 6.007356 -7.693481      8.465999 
1 1 1 11  1  5  o 172.6647 3.707533 1459.668       62.66063 1471.886       89.07207 1447.698       88.16589 173.2717 5.257876 171.8414 5.247783 1.430359       7.428627 
1 1 1 11  1  6  o 231.9250 4.644821 2634.186       105.4442 2607.149       148.2050 2661.901       150.0535 230.5653 6.573644 232.9747 6.586691 -2.409439      9.305766 
1 1 1 11  1  7  o 326.2028 6.259615 5213.935       199.8672 5198.983       282.2396 5228.975       283.0721 325.4210 8.868932 326.3589 8.869479 -0.9378967     12.54295 
1 1 1 11  1  8  f 560.5262 10.45463 15429.51       573.6024 15531.73       815.3642 15329.36       807.0917 561.2130 14.85593 557.5575 14.80169 3.655457       20.97114 
1 1 1 11  1  9  o 140.8299 3.294560 971.0020       45.41491 911.8843       62.61969 1036.602       65.96346 136.3697 4.698247 145.4100 4.640441 -9.040298      6.603576 
1 1 1 11  1  10 o 150.4897 3.430884 1108.836       50.53809 1107.709       71.77203 1109.945       71.17503 150.3024 4.884953 150.4568 4.839213 -0.1544189     6.876100 
1 1 1 11  1  11 o 541.2169 10.11458 14391.27       535.8279 14097.91       746.6448 14702.80       769.4185 534.4606 14.28505 545.7723 14.41536 -11.31165      20.29446 
1 1 1 11  1  12 o 333.1439 6.391949 5441.042       208.4353 5607.906       300.9827 5287.274       288.9307 337.7948 9.111275 328.0045 9.007807 9.790375       12.81233 
1 1 1 11  1  13 f 242.7425 4.849141 2886.941       115.2171 2832.841       161.0861 2943.607       164.8626 240.2302 6.857547 244.8826 6.884769 -4.652420      9.717304 
1 1 1 11  1  14 o 130.6269 3.216429 835.5436       41.12565 853.6274       58.93003 818.3746       57.42027 131.9188 4.570674 129.1642 4.548784 2.754593       6.448450 
1 1 1 11  1  15 o 335.5347 6.445595 5522.789       211.6931 5500.069       298.5219 5545.771       300.2439 334.3314 9.130608 335.7156 9.145368 -1.384247      12.92307 
1 1 1 11  1  16 o 54.61142 3.212566 146.5611       17.09697 156.0932       24.40524 137.3747       23.95849 56.26332 4.468178 52.73708 4.690147 3.526241       6.477815 
1 1 1 11  1  17 o 250.7973 5.004344 3083.692       122.8503 3225.642       178.8055 2956.771       169.0756 256.1782 7.137661 245.2736 7.049767 10.90460       10.03222 
1 1 1 11  1  18 o 157.2623 3.571007 1211.552       54.96947 1172.438       76.46114 1253.394       79.08224 154.5459 5.061313 159.7979 5.062325 -5.251968      7.158494 
1 1 1 11  1  19 o 101.0073 3.033478 500.1429       29.95764 507.7911       42.49488 492.5864       42.23928 101.6957 4.278574 100.1558 4.318731 1.539932       6.079279 
1 1 1 11  1  20 o 220.1731 4.531855 2376.727       97.66669 2391.100       138.6100 2362.555       137.6383 220.5466 6.427639 219.2260 6.421096 1.320557       9.085428 
1 1 1 11  1  21 o 176.3166 3.897772 1523.655       67.26913 1518.430       95.01895 1528.905       95.24731 175.8003 5.528722 176.4069 5.522889 -0.6066284     7.814670 
1 1 1 11  1  22 o 247.9543 5.005933 3016.635       121.4963 3041.499       172.8140 2992.335       170.8462 248.5534 7.110491 246.5395 7.087017 2.013885       10.03917 
1 1 1 11  1  23 o 218.7062 5.250045 2347.906       112.3907 2279.812       135.9384 2495.000       199.7949 215.2530 6.459194 224.6096 9.106496 -9.356537      11.16465 
1 1 1 11  1  24 o 131.4920 4.060551 848.5880       52.19991 852.1000       93.86738 847.0157       62.80720 131.3495 7.330039 131.2864 4.896041 0.6307983E-01  8.814799 
1 1 1 11  1  25 o 53.43423 3.866039 140.7169       20.08377 90.89000       33.84927 167.7882       24.95003 42.17328 8.493901 58.31952 4.403226 -16.14623      9.567380 
1 1 1 11  1  26 o 157.5021 4.205981 1217.747       64.78448 1200.633       78.95851 1253.000       113.3261 156.2705 5.169086 159.2925 7.287530 -3.022018      8.934627 
1 1 1 11  1  27 o 162.1646 5.227484 1293.387       82.86809 1309.000       117.6231 1278.000       116.7680 162.7416 7.403322 160.7914 7.439322 1.950195       10.49537 
1 1 1 11  1  28 f 277.8800 6.353701 3802.916       172.8185 3854.504       213.5461 3705.000       294.1974 279.2025 7.821574 272.3445 11.05906 6.858002       13.54548 
1 1 1 11  1  29 o 91.20144 3.487062 408.5432       31.07182 419.7029       38.76868 388.5000       51.95617 92.35536 4.300379 88.61239 6.025985 3.742973       7.403090 
1 1 1 11  1  30 o 34.30826 4.761257 58.95892       15.55883 48.71144       21.80656 69.58512       22.20587 30.77460 7.342079 37.04841 6.351896 -6.273804      9.708384 
1 1 1 11  1  31 o 69.88638 3.559885 240.3589       24.27178 194.2000       37.80626 272.7241       31.65743 62.39994 6.274849 74.35667 4.368852 -11.95673      7.645953 
1 1 1 11  1  32 o 69.17766 3.895705 235.9132       26.27240 222.2237       31.11689 269.9000       49.02940 67.00980 4.775371 73.47742 6.897709 -6.467613      8.389432 
1 1 1 11  1  33 o 113.7404 3.214980 635.7644       35.75719 652.9133       50.67848 618.7637       50.45885 115.0383 4.509383 111.9635 4.614092 3.074745       6.451695 
1 1 1 11  1  34 o 33.54583 6.155806 57.55270       19.46830 67.78000       38.70071 54.08779       22.52601 36.03870 10.39752 32.30100 7.297328 3.737701       12.70273 
1 1 1 11  1  35 o 79.60857 3.746064 312.7545       29.10861 381.8000       55.88065 287.0427       34.10046 87.26177 6.591041 76.09586 4.599658 11.16591       8.037330 
1 1 1 11  1  36 o 132.3605 3.386099 862.8871       43.83366 847.3698       61.31919 879.1028       62.68363 130.7469 4.799507 133.1696 4.816803 -2.422714      6.799769 
1 1 1 11  1  37 o 28.64920 5.857502 42.39378       15.87114 51.54192       22.08199 32.61802       22.82691 31.36524 7.325753 25.48661 8.122164 5.878630       10.93783 
1 1 1 11  1  38 o 82.00906 3.218455 331.8289       25.78525 330.7960       36.14554 332.8992       36.79484 81.55573 4.545858 81.79565 4.614400 -0.2399292     6.477462 
1 1 1 11  1  39 o 61.38007 3.532067 186.6035       21.13123 171.7174       29.09158 203.2299       30.74507 58.48157 5.134139 63.70531 4.969831 -5.223740      7.145530 
1 1 1 11  1  40 o 65.71485 3.461118 213.8639       22.18463 218.4834       31.53857 209.3396       31.21160 66.03371 4.914682 64.61177 4.973369 1.421936       6.992031 
1 1 1 11  1  41 o 29.15734 5.845076 44.19022       16.10049 25.80198       22.55560 63.29299       22.98966 23.28884 8.090794 34.70198 7.009785 -11.41314      10.70505 
1 1 1 11  1  42 f 79.94170 3.316780 316.3841       25.89714 298.4435       35.94535 335.7467       37.34280 77.16198 4.782701 81.89972 4.677653 -4.737740      6.689892 
1 1 1 11  1  43 o 25.69743 6.702637 35.02197       17.03232 15.78970       23.40125 56.68752       24.83754 20.74059 8.052763 32.41130 7.901611 -11.67071      11.28195 
1 1 1 11  1  44 o 77.92896 3.444465 301.8665       26.20913 305.8081       36.88726 297.8477       37.24594 77.84676 4.865263 76.76643 4.983739 1.080338       6.964800 
1 1 1 11  1  45 o 101.5730 3.327679 512.8408       33.03994 482.9029       45.35970 546.6772       48.22265 97.77856 4.753611 104.0521 4.747223 -6.273537      6.718106 
1 1 1 11  1  46 o 34.69932 5.951846 63.34570       19.48779 69.08732       25.07616 54.59000       30.96630 35.65171 7.427202 31.11180 9.387316 4.539913       11.97017 
1 1 1 11  1  47 f 31.30675 6.480052 52.59763       19.20268 58.09071       24.93379 44.59000       30.10455 32.35897 7.934018 28.40248 9.349889 3.956486       12.26251 
1 1 1 11  1  48 o 41.50606 6.836958 92.36134       26.81041 97.94000       31.38250 77.29000       51.58202 42.19317 7.888651 35.52370 12.24047 6.669472       14.56227 
1 1 1 11  1  49 o 41.76342 6.838609 93.89665       26.98900 88.99000       30.85023 109.9000       55.71487 39.89311 8.175461 41.20665 12.62411 -1.313538      15.04016 
1 1 1 11  1  50 o 106.9626 3.424590 572.2703       35.80856 573.8868       50.64683 570.6547       50.63508 105.9312 4.897777 105.6195 4.911248 0.3117447      6.936035 
1 1 1 11  1  51 o 28.43956 7.774803 45.64048       22.25861 48.35000       52.64311 45.05062       24.56222 29.93416 11.93720 28.12202 8.331313 1.812145       14.55704 
1 1 1 11  1  52 o 101.5817 3.413769 517.4863       33.89523 500.2813       47.40303 535.4860       48.48548 98.60181 4.927120 102.0797 4.866519 -3.477928      6.925281 
1 1 1 11  1  53 o 16.58080 6.703030 8.563351       16.83987 9.219592       23.94764 7.921431       23.68488 18.78341 7.834333 18.45633 7.750939 0.3270779      11.02061 
1 1 1 11  1  54 o 24.84384 6.974428 34.44346       17.65115 38.03507       25.13760 30.95020       24.79100 25.87058 8.545063 23.93715 8.469580 1.933435       12.03129 
1 1 1 11  1  55 o 12.11337 5.834358 -27.02462      20.49879 -21.94000      47.00805 -28.21852      22.77864 20.37321 9.519336 12.89274 6.194456 7.480468       11.35733 
1 1 1 11  1  56 o 55.00543 4.476460 155.5038       23.89345 160.6339       30.92035 147.9000       37.64407 55.02375 5.829577 51.34153 7.730246 3.682213       9.681976 
1 1 1 11  1  57 o 22.74839 7.266512 28.63316       18.26228 39.12188       25.91994 18.29391       25.73458 26.04094 8.679520 20.93209 8.346593 5.108849       12.04158 
1 1 1 11  1  58 o 39.53513 6.497464 85.68725       24.27122 100.7000       35.37927 72.34000       33.35912 40.98347 9.060419 34.19288 9.584110 6.790585       13.18887 
1 1 1 11  1  59 o 15.25229 6.738449 -1.458616      19.75363 -12.86742      26.80112 12.11000       29.22810 15.91160 7.349466 20.26235 8.565334 -4.350747      11.28626 
1 1 1 11  1  60 o 33.40316 8.964251 68.84959       29.91804 70.08000       36.03561 66.12000       53.67302 32.75483 10.17351 30.88459 12.13603 1.870237       15.83615 
1 1 1 11  2  0  o 505.0991 10.91894 12527.31       539.8376 11750.00       892.6340 12975.56       677.8468 487.2713 18.75027 513.4364 13.49944 -26.16513      23.10427 
1 1 1 11  2  1  o 241.4819 5.536550 2856.368       130.8670 2999.000       233.9290 2791.396       157.8846 247.0326 9.693203 238.5741 6.767828 8.458557       11.82208 
1 1 1 11  2  2  f 327.6288 7.252652 5261.102       232.5869 4801.000       378.6057 5539.995       294.7670 312.2914 12.41043 335.9513 8.971917 -23.65991      15.31385 
1 1 1 11  2  3  o 723.4817 15.53213 25790.91       1099.930 27000.00       1970.034 25243.29       1325.825 734.5337 27.44861 714.3307 18.97867 20.20294       33.37089 
1 1 1 11  2  4  f 456.3087 9.891753 10218.82       441.8127 10340.00       771.9949 10159.79       538.7669 457.3901 17.27439 454.5135 12.12092 2.876617       21.10264 
1 1 1 11  2  5  o 722.9362 13.42095 25712.01       949.7064 25960.21       1352.712 25470.76       1333.666 724.2498 19.09809 717.4227 19.00853 6.827148       26.94552 
1 1 1 11  2  6  o 366.1888 6.958142 6572.190       249.4047 6667.210       356.3586 6480.962       349.1742 368.4254 9.890641 363.2473 9.829532 5.178040       13.94433 
1 1 1 11  2  7  o 341.7816 6.528786 5724.524       218.4175 5667.743       306.9123 5782.792       310.9043 339.7363 9.237818 343.1664 9.264315 -3.430054      13.08300 
1 1 1 11  2  8  o 188.4116 3.960144 1738.232       73.03397 1713.959       102.7724 1762.996       103.8067 186.9601 5.622314 189.6196 5.599017 -2.659500      7.934697 
1 1 1 11  2  9  f 317.9563 6.119503 4953.949       190.4539 4755.523       262.1211 5175.853       277.1956 311.2156 8.612954 324.6742 8.730250 -13.45859      12.26378 
1 1 1 11  2  10 o 528.3185 9.879421 13707.84       510.8972 13698.47       722.8740 13717.20       722.1620 527.0329 14.02506 527.4000 14.00144 -0.3671265     19.81774 
1 1 1 11  2  11 o 313.8757 6.053967 4828.447       185.9961 4674.128       257.5972 4996.529       268.8393 308.4858 8.539210 318.9446 8.619251 -10.45883      12.13300 
1 1 1 11  2  12 o 91.39530 2.877531 409.3620       25.71039 407.3995       36.74459 411.2444       35.98720 91.11060 4.130946 91.54674 4.025894 -0.4361420     5.768235 
1 1 1 11  2  13 o 277.6706 5.440407 3778.670       147.8657 3871.769       212.5642 3691.380       205.8259 280.7650 7.742043 274.1496 7.677754 6.615479       10.90354 
1 1 1 11  2  14 o 375.9737 7.156013 6936.428       263.3509 7006.851       375.1036 6867.975       369.8214 377.2373 10.16779 373.4868 10.12538 3.750488       14.34947 
1 1 1 11  2  15 o 207.6326 4.298948 2112.146       87.37032 2190.931       126.6194 2040.540       120.7127 211.2666 6.129467 203.8879 6.055314 7.378723       8.616100 
1 1 1 11  2  16 o 464.8792 8.763096 10628.20       398.7529 11151.47       582.9983 10168.22       546.6031 474.8194 12.55492 453.4754 12.32580 21.34399       17.59407 
1 1 1 11  2  17 o 127.0432 3.198759 790.9778       39.74602 780.2660       56.06424 801.8012       56.35561 126.0922 4.549924 127.8255 4.511228 -1.733368      6.407260 
1 1 1 11  2  18 o 243.7043 4.893794 2912.013       116.7388 2991.338       168.0357 2838.012       162.3008 246.6740 6.966377 240.2729 6.908131 6.401093       9.810844 
1 1 1 11  2  19 o 240.8441 4.856876 2844.333       114.4984 2966.785       166.3323 2734.051       157.8507 245.6347 6.924912 235.8081 6.846074 9.826614       9.737718 
1 1 1 11  2  20 o 81.35065 3.056246 324.6128       24.29308 336.2932       34.49901 313.1247       34.21398 82.71723 4.275438 79.79893 4.397262 2.918297       6.133131 
1 1 1 11  2  21 o 47.62544 3.876567 111.8999       17.91528 111.3686       24.66674 112.4930       26.06293 47.32970 5.422184 47.53000 5.716702 -0.2002983     7.879135 
1 1 1 11  2  22 o 245.2912 5.721900 2954.546       137.3815 2986.119       169.9437 2895.000       233.3877 246.2850 7.056816 241.8134 9.881141 4.471634       12.14231 
1 1 1 11  2  23 o 129.2994 4.016621 820.4299       50.77345 816.0000       92.53492 822.3381       60.73215 128.5379 7.385854 129.3749 4.804158 -0.8370819     8.810832 
1 1 1 11  2  24 o 96.85486 3.562148 460.3961       33.71313 430.9000       54.06646 479.1606       43.12337 93.45741 5.941034 98.73363 4.473744 -5.276222      7.437088 
1 1 1 11  2  25 o 314.8743 6.145175 4874.518       189.3990 4709.000       367.3866 4934.431       221.0356 307.1836 12.24306 316.5532 7.133608 -9.369659      14.16971 
1 1 1 11  2  26 o 76.57145 3.740690 288.1629       27.95173 263.2000       44.56881 304.3474       35.88655 72.87479 6.310214 78.60631 4.685363 -5.731514      7.859480 
1 1 1 11  2  27 o 240.0248 5.621387 2832.435       132.0705 2982.936       166.9826 2581.000       215.8316 245.9308 6.943638 227.9090 9.697084 18.02177       11.92676 
1 1 1 11  2  28 o 125.4496 4.623867 773.8607       56.68093 773.8607       56.68093 0.000000       0.000000 125.4496 4.623867 ?        ?        ?              ?        
1 1 1 11  2  29 o 93.79594 3.060633 431.7451       28.06207 427.5883       38.80258 436.3032       40.63211 93.22332 4.263646 94.15192 4.421287 -0.9285965     6.142187 
1 1 1 11  2  30 o 109.7097 3.134925 590.7220       33.63047 567.4572       46.18744 616.9750       49.06416 107.3782 4.403764 111.9613 4.486116 -4.583061      6.286364 
1 1 1 11  2  31 o 161.4571 4.287241 1282.279       67.69501 1297.297       82.79767 1252.000       117.5684 162.2037 5.221768 158.6869 7.591096 3.516800       9.213664 
1 1 1 11  2  32 f 153.3199 4.146036 1156.735       62.16400 1201.000       107.7647 1134.660       76.10204 155.4212 7.102473 151.6293 5.134925 3.791916       8.764278 
1 1 1 11  2  33 o 74.05228 3.577052 270.1230       25.85137 312.3000       43.48489 247.0691       32.14935 79.27691 5.640681 70.64825 4.675354 8.628662       7.326406 
1 1 1 11  2  34 o 121.9854 3.285641 731.8030       39.19572 782.5281       56.84719 685.8353       54.11586 125.8513 4.622571 117.7889 4.703139 8.062378       6.594519 
1 1 1 11  2  35 o 96.56841 3.700742 459.8337       34.91608 515.5000       64.75848 437.0185       41.45845 101.4685 6.555252 93.96490 4.520820 7.503593       7.962986 
1 1 1 11  2  36 o 109.5576 3.765957 592.3345       40.32532 585.4000       71.66434 595.5475       48.78083 107.9049 6.819984 109.6456 4.555109 -1.740685      8.201293 
1 1 1 11  2  37 o 30.81388 5.434001 48.59742       15.79098 66.54116       22.05722 29.73149       22.61692 35.91270 6.514593 24.60340 8.104376 11.30930       10.39812 
1 1 1 11  2  38 o 94.00774 3.157801 435.7710       29.01601 461.3288       41.41797 411.1375       40.66215 96.39310 4.401331 90.93198 4.583213 5.461128       6.354334 
1 1 1 11  2  39 o 59.53320 3.493055 175.5420       20.26555 187.3345       28.60062 163.6513       28.71940 61.18868 4.814016 57.05947 5.199156 4.129208       7.085618 
1 1 1 11  2  40 o 118.3834 3.321008 692.2412       38.44480 685.0475       53.82116 699.7355       54.93424 117.2293 4.699936 118.4595 4.747309 -1.230217      6.680295 
1 1 1 11  2  41 o 104.1961 3.273152 536.5798       33.34148 526.8212       46.60886 546.8068       47.71454 102.7365 4.646900 104.6609 4.669333 -1.924446      6.587590 
1 1 1 11  2  42 o 51.59032 3.953696 132.8347       19.81325 142.2014       27.98210 123.4168       28.05840 52.93188 5.479951 49.11330 5.958286 3.818584       8.095124 
1 1 1 11  2  43 o 93.77092 3.312862 435.7210       30.35951 429.5784       42.52787 442.1045       43.35372 92.52584 4.711251 93.85702 4.734326 -1.331177      6.679052 
1 1 1 11  2  44 o 66.13966 3.560032 217.8573       22.96247 231.3684       32.49459 204.3807       32.45313 67.63385 4.942529 63.40203 5.277145 4.231819       7.230274 
1 1 1 11  2  45 o 28.94096 6.671118 44.97709       18.51073 37.25780       23.92047 56.50000       29.22553 26.32461 8.305387 31.78092 8.992745 -5.456316      12.24128 
1 1 1 11  2  46 o 43.44930 4.968020 96.72484       20.74931 115.4269       27.33544 71.30000       31.87211 47.01894 6.081793 35.47550 9.126532 11.54343       10.96731 
1 1 1 11  2  47 o 33.83369 6.951191 61.92088       22.24995 39.41965       24.91621 150.5000       49.43615 26.82918 8.478038 50.94436 10.26892 -24.11518      13.31645 
1 1 1 11  2  48 o 107.4828 4.048486 580.8832       42.51684 589.9594       50.77950 559.6000       77.76018 107.7179 4.828359 101.8270 7.862535 5.890884       9.226727 
1 1 1 11  2  49 o 16.45086 6.766639 6.544135       17.52435 -27.64000      25.70178 36.24334       23.95650 14.19369 6.753666 25.71610 8.332785 -11.52240      10.72601 
1 1 1 11  2  50 f 39.66005 5.338764 82.13099       20.19937 85.80000       30.95206 79.40923       26.65876 38.91199 8.374721 37.92736 7.446849 0.9846230      11.20676 
1 1 1 11  2  51 o 25.21317 6.864220 35.06025       17.39205 43.29553       24.69186 26.95152       24.50140 27.59347 8.394486 23.06449 8.388219 4.528978       11.86717 
1 1 1 11  2  52 o 64.62151 4.599688 214.0762       28.90435 243.2000       56.24948 203.6269       33.69300 64.93351 9.099420 62.36143 5.578583 2.572075       10.67333 
1 1 1 11  2  53 o 57.26076 4.019369 166.6261       22.38483 162.5311       30.81154 171.2035       32.57596 55.49828 5.755342 56.83825 5.943053 -1.339970      8.273079 
1 1 1 11  2  54 o 47.50671 6.479530 121.9858       29.34590 0.000000       0.000000 121.9858       29.34590 ?        ?        47.50671 6.479530 ?              ?        
1 1 1 11  2  55 o 46.43438 4.515644 111.1262       20.26526 112.1375       29.05004 110.1675       28.28411 45.30775 6.756662 44.99277 6.620063 0.3149834      9.459267 
1 1 1 11  2  56 o 43.14046 4.941066 97.02508       20.48865 111.2977       29.38605 83.52347       28.58135 45.03148 6.885194 38.25658 7.894514 6.774895       10.47517 
1 1 1 11  2  57 o 18.65102 8.011378 5.826869       26.29994 -18.24000      30.48137 75.94000       52.02647 16.52617 7.703127 33.48232 12.21626 -16.95615      14.44213 
1 1 1 11  2  58 o 16.99896 7.248338 4.870697       21.24230 18.44000       30.42548 -8.034000      29.67102 21.74722 8.927442 17.45543 7.938103 4.291784       11.94624 
1 1 1 11  2  59 o 22.48692 8.735238 25.08296       27.54667 25.08296       27.54667 0.000000       0.000000 22.48692 8.735238 ?        ?        ?              ?        
1 1 1 11  2  60 o 37.28574 5.889623 75.67976       20.78203 73.97889       29.61733 77.32944       29.16827 34.86748 8.705267 35.88266 8.445910 -1.015179      12.12910 
1 1 1 11  3  0  o 330.6233 6.343233 5355.897       205.2817 5468.828       295.8710 5251.072       285.0554 333.7729 9.064573 327.0721 8.912193 6.700867       12.71195 
1 1 1 11  3  1  o 287.1658 6.433567 4040.604       180.8385 4089.000       315.9240 4017.019       220.5437 288.3237 11.21567 286.1354 7.881896 2.188324       13.70823 
1 1 1 11  3  2  o 116.4669 4.197677 665.0585       47.77566 0.000000       0.000000 665.0585       47.77566 ?        ?        116.4669 4.197677 ?              ?        
1 1 1 11  3  3  o 315.2617 6.999690 4871.069       216.0012 4702.000       365.7287 4961.633       267.6725 309.0786 12.11227 317.9495 8.608730 -8.870850      14.85992 
1 1 1 11  3  4  o 331.6099 7.330484 5390.207       237.9394 5413.000       413.8047 5378.948       290.8260 331.5446 12.77499 331.0136 8.984272 0.5310059      15.61786 
1 1 1 11  3  5  o 236.2242 5.446237 2733.410       125.9294 2705.000       217.3207 2747.772       154.5149 234.5951 9.483576 236.6983 6.675796 -2.103180      11.59761 
1 1 1 11  3  6  o 316.0369 6.078701 4893.695       188.0419 4962.823       268.7271 4827.371       263.2213 317.9634 8.642335 313.5974 8.583233 4.365967       12.18039 
1 1 1 11  3  7  o 303.5371 5.864170 4514.041       174.2307 4442.973       244.0648 4587.894       248.8022 300.8633 8.295535 305.7316 8.321694 -4.868286      11.75017 
1 1 1 11  3  8  o 165.6446 3.622505 1343.431       58.73439 1277.886       81.21781 1415.289       85.03989 161.4365 5.146339 169.9040 5.119275 -8.467484      7.258910 
1 1 1 11  3  9  o 299.3867 5.796830 4391.765       169.8750 4369.828       239.8280 4413.854       240.6531 298.3531 8.220101 299.8548 8.206970 -1.501740      11.61570 
1 1 1 11  3  10 o 168.8018 3.679348 1395.231       60.79308 1329.551       84.28535 1466.453       87.76924 164.6559 5.236259 172.9364 5.190887 -8.280548      7.373176 
1 1 1 11  3  11 o 423.2411 7.985995 8789.496       330.8439 8623.401       461.9864 8964.351       474.0132 418.5398 11.28711 426.7238 11.35857 -8.184021      16.01299 
1 1 1 11  3  12 o 196.4724 4.105807 1890.616       78.95985 1832.189       110.0466 1952.614       113.3593 193.2525 5.824266 199.5090 5.811007 -6.256561      8.227386 
1 1 1 11  3  13 o 98.56998 2.940799 476.1383       28.34199 488.8395       41.08018 464.6011       39.15251 99.80975 4.214360 97.30518 4.120040 2.504570       5.893688 
1 1 1 11  3  14 o 235.2292 4.735509 2711.281       109.0346 2752.774       155.8872 2671.539       152.5628 236.7839 6.732763 233.2660 6.688668 3.517868       9.490436 
1 1 1 11  3  15 o 232.6152 4.698997 2651.637       106.9915 2788.081       156.3409 2531.448       146.7335 238.2712 6.710075 227.0433 6.609624 11.22792       9.418718 
1 1 1 11  3  16 o 205.0864 4.256804 2060.919       85.45289 2142.119       123.8765 1987.200       118.0325 208.8737 6.065394 201.1795 6.000637 7.694168       8.532096 
1 1 1 11  3  17 o 358.5509 6.863662 6313.044       240.8868 6480.180       346.8707 6157.356       334.7815 362.5092 9.784521 353.3840 9.687647 9.125244       13.76907 
1 1 1 11  3  18 o 125.3962 3.211053 770.6810       39.38046 783.0723       56.30723 758.8163       55.09723 126.3086 4.561829 124.3365 4.534745 1.972038       6.432278 
1 1 1 11  3  19 o 243.4408 4.902900 2906.189       116.8295 2893.457       164.7957 2919.054       165.6514 242.5668 6.947940 243.6373 6.953276 -1.070526      9.829645 
1 1 1 11  3  20 o 241.0298 4.880023 2849.343       115.1327 2924.714       165.6066 2778.836       160.1738 243.8328 6.945796 237.6785 6.892144 6.154282       9.784974 
1 1 1 11  3  21 o 219.4877 5.288174 2364.117       113.6115 2468.000       204.9866 2318.058       136.4935 223.4179 9.394458 217.1052 6.430050 6.312637       11.38426 
1 1 1 11  3  22 o 271.9696 5.406728 3630.983       143.9333 3722.778       207.0133 3545.080       200.2594 274.8555 7.702222 268.2263 7.635326 6.629242       10.84539 
1 1 1 11  3  23 o 176.5168 3.943029 1527.512       68.12749 1476.592       95.24736 1580.852       97.48524 173.3082 5.622154 179.3371 5.560161 -6.028946      7.907213 
1 1 1 11  3  24 o 221.5443 4.578822 2407.944       99.29346 2595.000       204.4581 2350.211       113.5876 228.9888 9.140231 218.7822 5.304114 10.20668       10.56775 
1 1 1 11  3  25 o 142.6566 3.513592 997.5149       49.06246 1069.000       96.19875 972.3839       57.03826 147.2371 6.692414 140.7457 4.144748 6.491409       7.871933 
1 1 1 11  3  26 o 142.8885 4.011139 1002.176       56.04557 978.2000       93.20993 1015.752       70.14149 140.7831 6.783997 143.7389 4.992920 -2.955811      8.423293 
1 1 1 11  3  27 f 118.0273 3.669776 683.7669       42.34483 646.5740       50.16899 775.9000       78.96114 114.6862 4.477682 125.3687 6.456295 -10.68250      7.857059 
1 1 1 11  3  28 f 115.3244 3.188866 652.4730       35.96224 605.8527       48.38717 710.0027       53.75130 110.9942 4.462828 120.1560 4.578599 -9.161842      6.393778 
1 1 1 11  3  29 o 178.2219 5.527145 1564.611       96.30369 1564.611       96.30369 0.000000       0.000000 178.2219 5.527145 ?        ?        ?              ?        
1 1 1 11  3  30 o 166.2543 4.352419 1358.991       70.76785 1373.774       86.46751 1329.000       123.1597 166.9731 5.297244 163.6074 7.712295 3.365707       9.356297 
1 1 1 11  3  31 f 136.9206 3.397563 920.0902       45.53471 923.2609       63.83630 916.8058       64.97027 136.8887 4.771541 136.3888 4.874483 0.4998169      6.821157 
1 1 1 11  3  32 o 157.3779 3.649514 1216.713       56.21923 1210.757       78.73045 1222.910       80.30493 156.6219 5.142487 157.3867 5.219985 -0.7647705     7.327579 
1 1 1 11  3  33 o 129.0868 3.804136 820.1597       48.01426 817.0000       80.68668 821.8920       59.74348 128.1622 6.452605 129.0229 4.738665 -0.8606415     8.005689 
1 1 1 11  3  34 o 47.97750 4.188026 114.2690       19.47074 139.3000       30.40108 96.86076       25.35286 52.65528 6.005743 43.77375 6.081066 8.881527       8.546830 
1 1 1 11  3  35 o 174.8920 3.896860 1507.231       66.71000 1535.210       94.85274 1479.846       93.83979 175.8250 5.518245 172.6028 5.561607 3.222244       7.834699 
1 1 1 11  3  36 o 28.15128 7.034726 41.30009       19.32834 6.993000       37.68338 53.54775       22.51565 23.31135 9.782460 32.02415 7.340224 -8.712797      12.23010 
1 1 1 11  3  37 o 45.05427 4.983604 101.9782       21.61091 94.39000       41.99065 104.7123       25.20533 41.82764 10.32048 45.45994 5.796078 -3.632298      11.83667 
1 1 1 11  3  38 o 11.55467 5.343327 -11.34880      14.22779 -6.181684      20.01826 -16.62352      20.22562 15.19680 6.745114 13.65072 6.332838 1.546083       9.252102 
1 1 1 11  3  39 o 34.39191 5.187547 60.23766       16.92054 74.07919       23.64343 45.70597       24.22570 37.81207 6.629720 29.40144 8.140193 8.410625       10.49838 
1 1 1 11  3  40 o 72.12172 3.374880 257.3577       23.75881 272.4291       33.70647 242.4752       33.49458 73.84289 4.687551 69.56538 4.951346 4.277504       6.818281 
1 1 1 11  3  41 o 58.14729 3.673282 167.9911       20.80007 160.1396       28.87550 176.4590       29.98747 56.31104 5.301140 59.15546 5.232828 -2.844414      7.448797 
1 1 1 11  3  42 o 39.75769 4.797343 80.03912       18.29235 83.36885       25.77898 76.66232       25.96055 39.94099 6.839730 38.13420 7.219217 1.806786       9.944798 
1 1 1 11  3  43 o 22.82138 6.902736 27.10412       16.72906 38.36866       23.69160 15.90239       23.62546 26.89145 8.230932 20.80945 8.087971 6.082001       11.53965 
1 1 1 11  3  44 o 55.31958 4.218385 153.7482       22.66960 166.6611       29.62376 135.5000       35.21587 57.16926 5.356217 50.61986 7.319670 6.549397       9.070095 
1 1 1 11  3  45 o 31.80151 6.358385 53.77400       19.10029 39.75529       24.96865 73.55000       29.65584 27.08014 8.477318 36.41051 8.479652 -9.330372      11.99039 
1 1 1 11  3  46 o 28.40671 7.841923 44.38080       22.51934 37.17171       25.40670 70.80000       48.63712 26.29400 8.585708 34.68198 11.88824 -8.387983      14.66440 
1 1 1 11  3  47 o 101.0715 4.001336 512.8829       39.50762 496.7168       46.53717 554.6000       74.75748 98.90280 4.821653 101.9153 7.547486 -3.012451      8.956164 
1 1 1 11  3  48 o 28.27113 6.496166 43.21741       17.59863 16.78131       24.14245 73.19246       25.70766 20.76184 8.145035 36.55954 7.437262 -15.79770      11.02971 
1 1 1 11  3  49 o 90.49248 3.434050 409.4220       30.36243 421.8143       42.59874 396.6258       43.28747 90.94588 4.802302 87.99715 5.046760 2.948738       6.966484 
1 1 1 11  3  50 o 73.53972 3.589892 271.4437       25.76294 270.1434       35.97739 272.8122       36.90906 72.45179 5.105808 72.73100 5.219203 -0.2792130     7.301325 
1 1 1 11  3  51 o 37.11185 5.642767 72.81146       19.85320 60.55000       29.57137 82.87327       26.78787 32.15610 9.027334 38.72576 7.335423 -6.569664      11.63190 
1 1 1 11  3  52 o 18.52707 6.892097 15.60178       16.69492 16.08226       23.51110 15.11312       23.71052 20.17267 7.999280 19.99984 7.999318 0.1728306      11.31272 
1 1 1 11  3  53 o 63.77673 5.338655 212.1481       33.02180 0.000000       0.000000 212.1481       33.02180 ?        ?        63.77673 5.338655 ?              ?        
1 1 1 11  3  54 o 19.92954 7.052481 20.03736       17.18959 19.14488       24.73147 20.87147       23.90890 21.02869 8.245562 21.28073 8.172234 -0.2520351     11.60925 
1 1 1 11  3  55 o 29.32086 6.481743 47.41801       18.10745 62.62251       26.14602 33.40407       25.10150 32.86253 8.164581 24.56749 8.535191 8.295040       11.81143 
1 1 1 11  3  56 o 23.40260 7.279954 30.43803       18.44432 39.52591       26.16071 21.45568       26.00839 26.23069 8.719123 21.73346 8.475013 4.497231       12.15932 
1 1 1 11  3  57 o 19.30656 7.628296 15.14984       21.30967 14.61000       30.13199 15.69000       30.14086 21.07364 8.788598 21.26822 8.823145 -0.1945839     12.45341 
1 1 1 11  3  58 o 46.99913 6.974182 122.3947       31.11242 123.5000       37.37443 119.9000       56.14974 45.85095 8.644556 40.85522 12.70085 4.995735       15.36359 
1 1 1 11  3  59 o 62.69004 4.478641 203.1459       27.30114 196.9143       35.39420 212.3000       42.89816 60.40965 6.067852 61.56015 7.258619 -1.150501      9.460781 
1 1 1 11  3  60 o 55.92944 4.318647 161.6282       23.45955 159.4401       33.43938 163.7489       32.92034 53.84676 6.474136 54.77287 6.252189 -0.9261093     9.000239 
1 1 1 11  4  0  f 325.6947 6.249687 5197.343       199.2394 5297.000       286.1628 5103.582       277.5677 328.4939 8.908011 322.4477 8.802580 6.046234       12.52350 
1 1 1 11  4  1  o 536.5652 10.01074 14130.75       525.7687 14393.65       753.6890 13881.53       733.8079 540.5550 14.25691 530.8743 14.13419 9.680725       20.07573 
1 1 1 11  4  2  o 457.5625 9.921873 10275.62       444.3757 10850.00       800.3873 10019.67       534.2876 468.4658 17.48554 451.3562 12.10435 17.10956       21.26639 
1 1 1 11  4  3  o 169.9337 4.237712 1414.043       70.48831 1301.000       117.3936 1477.777       88.14713 162.7460 7.388600 173.6209 5.192640 -10.87492      9.030776 
1 1 1 11  4  4  o 463.5932 10.05337 10549.95       456.1997 11520.00       841.7933 10146.58       542.8245 482.5674 17.85215 454.1579 12.22197 28.40945       21.63506 
1 1 1 11  4  5  o 257.4530 5.859282 3247.309       147.6552 3311.000       259.9632 3216.977       179.4024 259.4871 10.25524 256.0823 7.164229 3.404785       12.50984 
1 1 1 11  4  6  o 345.2922 7.614732 5845.643       257.3639 5899.000       449.6137 5819.640       313.8712 345.9753 13.30142 344.2437 9.323505 1.731537       16.24363 
1 1 1 11  4  7  o 298.1585 5.773180 4355.476       168.4878 4243.750       234.5974 4474.499       242.1370 294.0403 8.158870 301.9301 8.200699 -7.889771      11.56800 
1 1 1 11  4  8  o 469.7097 8.815051 10825.96       405.2850 10748.11       571.0038 10904.99       575.3400 467.2406 12.49632 470.6396 12.50013 -3.399017      17.67516 
1 1 1 11  4  9  o 247.1122 4.910038 2991.143       118.7641 3025.226       169.6642 2958.398       166.3018 248.3091 6.987528 245.5545 6.925911 2.754593       9.838384 
1 1 1 11  4  10 o 418.1418 7.891828 8577.583       323.0036 8397.435       450.3664 8768.398       463.5092 413.0871 11.14847 422.1026 11.22846 -9.015503      15.82298 
1 1 1 11  4  11 o 93.38199 2.897852 427.3405       26.45573 444.8218       39.22847 412.7568       35.83014 95.20650 4.219967 91.71712 4.000717 3.489372       5.814968 
1 1 1 11  4  12 o 242.0439 4.840479 2870.341       114.6802 2850.941       161.9467 2889.854       162.4191 240.9951 6.872286 242.6384 6.845507 -1.643234      9.699963 
1 1 1 11  4  13 o 378.2960 7.194787 7022.186       266.4133 7190.911       383.3098 6864.512       370.5449 382.1651 10.25617 373.4085 10.14736 8.756622       14.42768 
1 1 1 11  4  14 o 136.8500 3.292174 917.1187       44.09950 938.4423       63.66453 897.4500       61.14403 138.3087 4.709512 135.2565 4.625187 3.052200       6.600898 
1 1 1 11  4  15 o 228.0578 4.626863 2548.791       103.2851 2697.145       151.6035 2420.288       141.0964 234.3487 6.615691 221.9989 6.500198 12.34973       9.274693 
1 1 1 11  4  16 o 264.3573 5.230486 3426.564       135.3442 3419.182       191.4007 3433.946       191.4104 263.7234 7.421996 264.2951 7.406254 -0.5716858     10.48516 
1 1 1 11  4  17 o 247.7000 4.959948 3008.263       120.2568 3085.789       173.0800 2935.907       167.2093 250.5397 7.064769 244.3850 6.997245 6.154755       9.943460 
1 1 1 11  4  18 o 202.1488 4.245220 2002.792       83.99966 1977.153       118.3286 2028.838       119.2638 200.6157 6.032709 203.2271 6.002013 -2.611389      8.509861 
1 1 1 11  4  19 o 131.0736 3.823612 842.5771       49.00392 818.0289       59.85145 892.5000       85.35229 129.0752 4.745320 134.6469 6.495246 -5.571671      8.044022 
1 1 1 11  4  20 o 107.5972 3.761120 568.0325       39.55085 516.7000       73.18462 589.2098       47.00647 102.2333 7.362746 109.5376 4.393092 -7.304245      8.573756 
1 1 1 11  4  21 o 272.1725 5.397123 3635.864       143.7847 3712.916       206.3599 3563.160       200.4534 274.5325 7.686930 268.9496 7.622098 5.582916       10.82521 
1 1 1 11  4  22 o 99.32640 3.148414 483.8287       30.57130 526.6181       44.10497 444.2587       42.41333 103.5367 4.361751 95.06189 4.571561 8.474823       6.318548 
1 1 1 11  4  23 o 34.65614 4.930146 60.11309       16.25304 82.93000       25.56272 44.63024       21.05737 40.54007 6.673975 29.53192 7.321311 11.00816       9.906741 
1 1 1 11  4  24 o 172.2761 3.846228 1455.048       64.85842 1485.000       126.6395 1444.398       75.51370 173.4669 7.475960 171.5312 4.501445 1.935760       8.726568 
1 1 1 11  4  25 o 268.1267 6.156812 3535.200       161.5854 3503.000       275.7444 3552.041       199.4110 265.4581 10.63370 268.3275 7.600032 -2.869415      13.07042 
1 1 1 11  4  26 o 260.0031 6.005212 3324.841       152.8316 3385.000       265.4552 3295.013       186.9186 260.8630 10.41710 258.4028 7.397692 2.460144       12.77661 
1 1 1 11  4  27 o 142.8112 4.020873 1001.327       56.15086 948.8000       91.02232 1033.597       71.34357 138.6135 6.728767 144.9669 5.035465 -6.353439      8.404298 
1 1 1 11  4  28 o 95.76138 4.500669 451.2998       42.06849 431.0000       57.26459 475.1000       62.00547 93.32600 6.305717 97.97183 6.502604 -4.645828      9.057921 
1 1 1 11  4  29 o 123.9404 3.754806 754.4591       45.49939 751.1505       54.57568 762.0000       82.39246 123.5704 4.519712 124.0617 6.811030 -0.4913406     8.174224 
1 1 1 11  4  30 o 211.5550 6.251460 2210.524       129.3107 2210.524       129.3107 0.000000       0.000000 211.5550 6.251460 ?        ?        ?              ?        
1 1 1 11  4  31 o 74.86633 3.130846 275.4652       22.89258 279.4532       31.51682 271.0112       33.30733 75.26974 4.295589 74.07528 4.616624 1.194458       6.305974 
1 1 1 11  4  32 o 95.62933 3.092028 449.2784       28.90477 442.5105       39.61980 456.9796       42.26317 94.73952 4.283509 96.24316 4.498724 -1.503647      6.211841 
1 1 1 11  4  33 o 51.30337 3.619250 130.0282       18.05820 135.8483       24.87875 123.5474       26.25293 52.24298 4.923175 49.69497 5.488415 2.548012       7.372947 
1 1 1 11  4  34 o 127.5592 3.826869 801.7173       47.72766 850.5000       81.54179 776.2952       58.86449 130.6107 6.397622 125.2749 4.809394 5.335770       8.003738 
1 1 1 11  4  35 o 86.70995 3.556306 370.7231       30.11977 396.5000       49.25816 355.3300       38.06513 89.17848 5.672426 84.67268 4.610194 4.505798       7.309603 
1 1 1 11  4  36 o 54.73884 3.546331 148.2236       18.89893 143.2668       25.82491 153.9392       27.73103 53.53233 4.985846 55.46449 5.167380 -1.932156      7.180562 
1 1 1 11  4  37 o 72.27908 3.936818 258.8141       27.74735 275.5000       52.33406 252.2895       32.72577 73.50057 7.373726 71.16998 4.724462 2.330589       8.757419 
1 1 1 11  4  38 o 146.4776 4.182057 1063.027       59.89939 1151.000       108.9348 1024.901       71.71400 150.4829 7.418462 143.3904 5.117699 7.092545       9.012459 
1 1 1 11  4  39 o 79.40914 3.246272 311.4820       25.17938 297.1624       34.56153 327.6795       36.75792 77.20223 4.594366 81.06371 4.652065 -3.861481      6.538341 
1 1 1 11  4  40 o 21.23545 6.749705 22.59935       15.77273 32.94660       21.76420 11.15356       22.89039 25.32619 7.912644 19.67735 7.863314 5.648840       11.15534 
1 1 1 11  4  41 o 21.03916 6.729331 22.18888       15.65806 20.64845       21.36312 23.97705       23.01692 21.60718 7.836318 22.84629 8.152998 -1.239115      11.30837 
1 1 1 11  4  42 o 104.5714 3.300500 541.0853       33.74074 543.1937       47.19464 538.8810       48.25629 104.2243 4.637742 103.7479 4.764634 0.4764099      6.649089 
1 1 1 11  4  43 o 45.59320 4.718451 105.1498       20.75348 115.6666       26.83900 89.51000       32.72947 47.42441 5.909602 40.60316 8.507916 6.821251       10.35896 
1 1 1 11  4  44 o 43.75482 4.816324 97.35769       20.28680 88.65292       26.31926 110.1000       31.84336 40.98292 6.799077 45.48541 7.406839 -4.502487      10.05429 
1 1 1 11  4  45 o 21.35758 7.729725 21.32076       20.77183 13.08442       23.00628 57.65000       48.31781 19.79495 7.892224 32.35815 11.77784 -12.56321      14.17762 
1 1 1 11  4  46 o 110.9645 4.048254 617.6570       43.89647 626.7443       52.19565 595.7000       81.13390 111.2283 4.805501 105.4298 7.919888 5.798485       9.263772 
1 1 1 11  4  47 f 72.45833 3.535161 262.4667       24.99718 268.0763       35.20021 256.7597       35.50446 72.48410 4.991791 70.83504 5.155994 1.649063       7.176507 
1 1 1 11  4  48 o 42.61810 4.716227 93.05006       19.34528 83.18967       26.88271 103.6406       27.86019 39.10295 7.291730 44.08722 6.663769 -4.984276      9.878014 
1 1 1 11  4  49 o 72.83685 3.529568 265.7972       25.08904 271.1177       35.10962 260.2454       35.86497 72.75459 4.959803 71.12754 5.187070 1.627045       7.176722 
1 1 1 11  4  50 o 19.82109 6.867977 19.65711       16.24791 20.94783       22.24932 18.18229       23.78332 21.24089 7.945543 20.86059 8.112956 0.3803005      11.35569 
1 1 1 11  4  51 f 44.39715 4.510471 101.1695       19.32943 83.58448       26.35305 121.6466       28.43771 38.97179 7.172569 47.78053 6.228600 -8.808739      9.499537 
1 1 1 11  4  52 o 25.59435 7.264666 36.64811       19.04269 7.877000       28.41247 60.11201       25.65847 19.71101 8.393093 32.34705 8.117729 -12.63604      11.67654 
1 1 1 11  4  53 o 20.25957 7.243844 20.49985       18.17868 3.168000       27.46099 34.01968       24.25378 18.64591 8.097888 24.77575 8.396981 -6.129837      11.66555 
1 1 1 11  4  54 o 27.29609 7.887560 42.69717       22.25502 106.8000       48.63910 25.72328       25.02866 40.19574 11.67416 22.61910 8.433988 17.57664       14.40202 
1 1 1 11  4  55 o 35.86445 5.612430 68.55152       19.05695 62.50619       27.02872 74.52745       26.87315 32.69109 8.401575 36.13960 7.823952 -3.448509      11.48045 
1 1 1 11  4  56 f 14.52741 6.467656 -3.602663      18.54750 -11.57792      25.18741 5.845000       27.41407 15.69743 7.204717 18.99216 8.168900 -3.294725      10.89215 
1 1 1 11  4  57 o 45.57545 6.090832 111.7789       26.49189 127.9891       30.46903 61.56000       53.62872 48.44751 6.596274 31.06367 12.15339 17.38383       13.82808 
1 1 1 11  4  58 o 32.95673 6.961778 61.04983       21.75302 70.55124       28.76619 48.36000       33.24423 34.42255 8.570718 28.22115 9.821425 6.201395       13.03524 
1 1 1 11  4  59 o 41.56236 5.767420 93.09211       22.83181 70.41907       29.11562 129.3000       36.79365 34.11461 8.694917 46.99408 8.302312 -12.87947      12.02206 
1 1 1 11  4  60 o 38.16379 5.848062 79.25099       21.15078 83.28645       30.15322 75.34229       29.67592 37.20014 8.471301 35.15773 8.676929 2.042416       12.12650 
1 1 1 11  5  0  o 470.7353 8.832147 10869.90       406.9576 11054.91       583.4271 10694.59       567.9355 474.0005 12.58595 466.2321 12.45604 7.768372       17.70760 
1 1 1 11  5  1  o 179.7212 5.400158 1583.579       94.88973 1462.000       128.5766 1729.000       140.6193 172.5202 7.632947 187.6383 7.672452 -15.11806      10.82259 
1 1 1 11  5  2  o 301.8057 5.831542 4462.426       172.2729 4520.599       246.0603 4406.494       241.2718 303.4973 8.290628 299.6453 8.233884 3.851929       11.68466 
1 1 1 11  5  3  f 344.6021 6.582381 5819.415       222.0277 6056.011       323.1426 5607.834       305.5818 351.1733 9.409315 337.9395 9.246784 13.23386       13.19236 
1 1 1 11  5  4  o 165.8472 4.185846 1347.727       67.89697 1356.000       119.4745 1343.781       82.51701 166.1525 7.364491 165.5571 5.098089 0.5953827      8.956910 
1 1 1 11  5  5  o 636.6862 13.69968 19956.22       853.7725 21190.00       1544.684 19413.51       1024.483 651.5831 24.26178 626.8577 16.71156 24.72540       29.46032 
1 1 1 11  5  6  o 198.4119 4.757404 1928.097       92.39403 1818.000       156.4738 1987.032       114.4829 192.3397 8.331012 201.3014 5.816253 -8.961716      10.16044 
1 1 1 11  5  7  o 207.9795 4.933464 2118.712       100.4335 2039.000       171.9342 2160.000       123.7395 203.6758 8.643806 209.8677 6.029856 -6.191864      10.53919 
1 1 1 11  5  8  o 206.5473 4.253390 2089.261       85.99258 2099.612       122.7655 2079.292       120.4902 206.9013 6.068431 205.9029 5.984721 0.9983978      8.523071 
1 1 1 11  5  9  o 328.5476 6.307710 5290.868       202.8506 5170.058       282.9278 5418.661       290.9901 324.4098 8.918415 332.1179 8.959352 -7.708099      12.64152 
1 1 1 11  5  10 o 309.4104 5.977185 4692.287       181.0247 4676.688       256.1387 4707.855       255.8766 308.5495 8.489008 309.5818 8.451924 -1.032227      11.97908 
1 1 1 11  5  11 o 130.1374 3.195632 829.2387       40.70663 787.3044       57.39506 871.6818       57.74223 126.6876 4.636254 133.3247 4.430783 -6.637093      6.413010 
1 1 1 11  5  12 o 267.9420 5.275525 3518.409       138.3607 3610.931       199.4736 3432.621       192.0789 271.1490 7.523002 264.3758 7.429896 6.773193       10.57350 
1 1 1 11  5  13 o 289.3216 5.641765 4103.649       159.7725 4027.966       223.6742 4182.496       228.3017 286.2885 7.989703 291.7307 8.002604 -5.442169      11.30827 
1 1 1 11  5  14 o 206.8037 4.282680 2095.351       86.69224 2232.790       127.8878 1978.501       117.9205 213.2712 6.132562 200.7617 6.007463 12.50952       8.584749 
1 1 1 11  5  15 o 406.2821 7.705072 8109.322       306.4154 8165.083       435.5256 8054.667       431.1808 406.7462 10.94912 403.9956 10.91376 2.750641       15.45941 
1 1 1 11  5  16 f 295.8435 5.774314 4293.586       167.2125 4369.470       239.5354 4221.462       233.5274 297.9763 8.220476 292.8954 8.153459 5.080933       11.57822 
1 1 1 11  5  17 o 162.6682 3.655838 1296.358       58.20978 1322.078       83.46140 1271.997       81.22621 164.1064 5.202392 160.9688 5.161906 3.137543       7.328721 
1 1 1 11  5  18 o 303.2513 6.827965 4517.783       202.6750 4543.415       249.4533 4468.000       347.6453 303.7021 8.399482 300.2106 11.85383 3.491577       14.52806 
1 1 1 11  5  19 o 240.7637 5.659126 2844.946       133.3665 2686.000       226.7562 2929.007       164.9039 233.0515 9.963328 244.0309 6.910628 -10.97942      12.12537 
1 1 1 11  5  20 o 40.58929 4.196127 81.62309       16.43108 81.26581       23.03857 81.99295       23.44077 40.23900 6.035185 40.40915 6.117507 -0.1701469     8.593448 
1 1 1 11  5  21 f 470.7126 8.906381 10931.26       410.3583 10964.10       581.7659 10898.75       578.9133 469.3388 12.67516 467.9525 12.65040 1.386353       17.90788 
1 1 1 11  5  22 o 146.3430 3.486794 1049.509       49.94644 1168.000       100.4862 1010.630       57.56034 153.9727 6.683317 143.5127 4.101782 10.45996       7.841642 
1 1 1 11  5  23 o 92.96377 3.505405 424.1512       31.84047 440.5000       50.67436 413.4860       40.92906 94.55167 5.499093 91.69460 4.574625 2.857063       7.153127 
1 1 1 11  5  24 o 117.4075 3.698182 676.3979       42.44713 790.4000       73.14936 618.5223       52.11966 126.6827 5.915452 112.1680 4.757885 14.51469       7.591446 
1 1 1 11  5  25 o 237.0170 5.556072 2760.289       128.9002 2846.000       224.7206 2718.260       157.3615 239.5446 9.603543 234.8660 6.852302 4.678589       11.79755 
1 1 1 11  5  26 o 177.7364 4.518857 1551.532       78.55227 1601.000       135.2108 1526.329       96.50971 179.9533 7.693944 176.1187 5.605481 3.834625       9.519359 
1 1 1 11  5  27 o 113.1955 3.778616 629.1486       41.80798 610.3000       65.94283 641.8173       54.06226 111.1948 6.081821 114.2116 4.846923 -3.016853      7.776966 
1 1 1 11  5  28 o 134.7269 3.843070 891.3210       50.62847 858.8447       59.89512 972.6000       94.75396 132.1464 4.637709 140.2284 6.924692 -8.082001      8.334249 
1 1 1 11  5  29 o 102.3091 3.117665 513.7100       31.18479 505.3994       42.17035 523.7391       46.32587 101.3543 4.260182 103.1359 4.600466 -1.781586      6.270043 
1 1 1 11  5  30 o 164.5518 3.712827 1329.254       59.80173 1309.586       82.95225 1350.537       86.29138 163.0086 5.205573 165.5117 5.333347 -2.503082      7.452690 
1 1 1 11  5  31 o 137.1813 3.885403 925.3640       52.11943 947.2616       63.84057 881.6000       90.25214 138.6439 4.711087 133.2062 6.945919 5.437668       8.392862 
1 1 1 11  5  32 o 147.7844 3.522487 1072.921       50.95470 1108.746       72.27532 1037.519       71.84822 149.8818 4.933181 144.9474 5.071881 4.934357       7.075327 
1 1 1 11  5  33 o 98.69119 3.102015 478.7985       29.92876 504.7579       42.05487 452.1595       42.60175 101.1395 4.257571 95.65586 4.563140 5.483604       6.240926 
1 1 1 11  5  34 f 35.13505 4.846726 62.11861       16.22490 71.21681       21.90870 51.06835       24.14489 37.37552 6.206143 31.30387 7.885154 6.071653       10.03453 
1 1 1 11  5  35 o 60.87153 3.741917 183.2164       22.18761 179.0000       33.89419 186.3780       29.35012 59.71898 5.874335 61.16633 4.944310 -1.447357      7.678152 
1 1 1 11  5  36 o 136.0324 3.927527 914.0168       52.24117 901.6000       86.87086 921.0511       65.38535 133.9698 6.645365 136.2048 4.912399 -2.235062      8.263930 
1 1 1 11  5  37 o 135.5102 3.442787 905.8226       45.62853 914.0676       64.01984 897.3104       65.04946 135.6125 4.830621 134.3079 4.956575 1.304611       6.921165 
1 1 1 11  5  38 o 32.48629 6.789658 55.09222       20.89363 100.1000       41.72568 40.03049       24.13777 42.99430 10.08942 27.73157 8.269773 15.26273       13.04552 
1 1 1 11  5  39 o 27.70846 7.449904 40.44971       20.64006 38.69000       40.95742 41.04872       23.89617 29.25284 10.81121 27.96807 8.199710 1.284771       13.56899 
1 1 1 11  5  40 o 33.63037 5.487813 58.02097       17.44256 51.89526       23.51388 65.51598       26.00950 31.23949 7.731863 35.12904 7.770398 -3.889549      10.96179 
1 1 1 11  5  41 o 27.16824 6.251863 38.75835       16.28008 10.61905       21.59257 75.82668       24.78273 19.11020 7.636990 38.05852 6.906893 -18.94831      10.29703 
1 1 1 11  5  42 o 62.20787 3.968230 192.9566       24.03689 196.9447       30.57208 186.5000       38.89932 62.50136 5.039933 60.13398 6.723646 2.367374       8.402877 
1 1 1 11  5  43 o 127.3195 3.487885 804.3827       43.42641 831.9813       61.54716 777.0212       61.28212 128.6362 4.897025 124.2033 5.051281 4.432968       7.035361 
1 1 1 11  5  44 f 38.92353 6.106862 79.12020       22.50185 76.41552       25.19770 89.77000       50.00045 37.86086 7.058917 38.94447 11.96445 -1.083603      13.89159 
1 1 1 11  5  45 o 20.50739 7.574088 18.78913       20.09649 24.47623       22.23140 -6.628000      46.99856 22.47267 8.013433 22.77734 10.20703 -0.3046684     12.97685 
1 1 1 11  5  46 o 44.84008 4.502515 102.2471       19.49470 87.81387       26.62691 118.9223       28.62021 40.48145 6.971351 47.58913 6.298614 -7.107681      9.395332 
1 1 1 11  5  47 o 32.24356 5.869359 54.99838       17.84199 54.73356       24.60849 55.29186       25.90626 31.34370 7.996297 31.39770 8.303507 -0.5400085E-01 11.52775 
1 1 1 11  5  48 o 77.02359 3.470438 296.6029       26.09741 294.5890       36.72708 298.6569       37.09023 75.93024 4.968875 76.44485 4.984017 -0.5146103     7.037766 
1 1 1 11  5  49 o 21.70251 6.998959 24.86706       16.91335 46.28160       23.77415 2.922253       24.06670 28.67984 8.109272 17.82651 7.660552 10.85332       11.15546 
1 1 1 11  5  50 o 28.34976 6.427469 43.73011       17.42324 22.70475       23.79882 68.01588       25.57758 21.95367 8.216460 34.89372 7.695777 -12.94004      11.25767 
1 1 1 11  5  51 o 14.71463 6.413028 -0.5829739     17.34996 -22.94000      25.52668 18.61304       23.65336 14.53845 6.862272 20.82935 8.093574 -6.290903      10.61116 
1 1 1 11  5  52 o 32.32389 5.929379 56.22179       18.06913 50.02975       24.97609 63.02160       26.17315 29.40595 8.310755 33.09508 8.137421 -3.689135      11.63126 
1 1 1 11  5  53 o 30.02616 6.772591 49.92276       19.42922 76.25000       30.03755 30.98382       25.47649 36.16702 8.609514 24.05248 8.578200 12.11454       12.15357 
1 1 1 11  5  54 o 35.03867 6.224443 66.57855       20.56577 73.81000       31.97282 61.47511       26.85963 35.09640 9.197600 32.45348 8.393187 2.642925       12.45156 
1 1 1 11  5  55 o 32.52680 8.239161 61.55672       26.25696 73.74000       48.89641 56.62000       31.12535 33.44365 11.88865 30.62031 9.445673 2.823341       15.18423 
1 1 1 11  5  56 o 21.35876 8.059255 22.03157       22.99792 16.55247       25.65256 44.47000       51.91257 20.58936 8.290972 28.61771 11.69458 -8.028353      14.33539 
1 1 1 11  5  57 o 39.60486 5.433321 83.18613       20.50838 80.99803       28.95230 85.38969       29.05443 37.38404 8.143092 38.53903 7.965472 -1.154991      11.39117 
1 1 1 11  5  58 o 48.36139 4.645304 121.4245       21.71957 129.3864       31.28104 114.0128       30.18073 48.45373 6.780902 45.25313 7.042608 3.200600       9.776448 
1 1 1 11  5  59 o 18.29927 7.987881 3.820894       27.00858 3.820894       27.00858 0.000000       0.000000 18.29927 7.987881 ?        ?        ?              ?        
1 1 1 11  5  60 o 23.26452 7.758145 31.08627       20.70847 41.85902       28.55793 19.14000       30.07319 26.24252 9.104626 21.45299 8.848288 4.789526       12.69592 
1 1 1 11  6  0  o 697.3682 12.98089 23924.35       886.0796 24948.89       1294.986 23022.41       1215.043 709.9665 18.65079 682.1642 18.21315 27.80225       26.06858 
1 1 1 11  6  1  o 341.0857 7.530433 5703.764       251.4141 5470.000       423.5070 5830.980       312.4224 333.1968 13.01035 344.5899 9.271035 -11.39307      15.97565 
1 1 1 11  6  2  o 550.1004 10.26111 14858.66       552.5131 15099.70       790.8573 14628.85       772.2191 553.4283 14.61203 544.7570 14.49498 8.671326       20.58193 
1 1 1 11  6  3  o 228.8334 4.613099 2564.520       103.3281 2636.233       149.2948 2498.585       143.1545 231.8371 6.585606 225.7058 6.486444 6.131256       9.243601 
1 1 1 11  6  4  o 442.7043 8.324954 9613.229       360.7462 9597.600       510.0907 9628.870       510.2538 441.6926 11.80894 442.4151 11.79336 -0.7224731     16.68935 
1 1 1 11  6  5  o 191.6839 4.650914 1799.520       87.26301 1633.000       145.5733 1892.916       109.0219 182.2820 8.179741 196.4794 5.674738 -14.19742      9.955441 
1 1 1 11  6  6  o 245.0626 5.633058 2942.387       135.1224 3013.000       239.3483 2909.354       163.7046 247.5107 9.899362 243.5222 6.874657 3.988525       12.05231 
1 1 1 11  6  7  o 359.1691 7.906824 6327.672       277.9760 6568.000       495.7183 6217.439       335.7269 364.8162 13.90755 355.7031 9.651477 9.113068       16.92841 
1 1 1 11  6  8  o 232.6031 5.401328 2650.875       122.9765 2686.000       217.1875 2634.300       149.1977 233.6750 9.515372 231.7192 6.584676 1.955780       11.57153 
1 1 1 11  6  9  o 119.2302 3.096031 696.4852       36.10191 706.9639       53.22512 687.5563       49.13182 120.0516 4.537587 118.4069 4.246033 1.644699       6.214377 
1 1 1 11  6  10 o 418.8614 7.911015 8610.429       324.3462 8559.738       457.2708 8661.755       460.1321 416.8941 11.21595 419.3721 11.21933 -2.477936      15.86414 
1 1 1 11  6  11 f 214.0648 4.392182 2244.753       92.03052 2248.233       131.1981 2241.382       129.1282 214.0369 6.269037 213.7186 6.179152 0.3183441      8.802428 
1 1 1 11  6  12 o 143.9500 3.381185 1014.746       47.64165 1006.940       68.47075 1022.072       66.33113 143.2657 4.889827 144.3525 4.700741 -1.086761      6.782874 
1 1 1 11  6  13 f 147.1658 3.412727 1060.661       49.16033 1058.570       70.49771 1062.640       68.58802 146.8873 4.910159 147.1801 4.767231 -0.2928925     6.843694 
1 1 1 11  6  14 o 57.93082 3.149513 164.8322       17.79192 155.7088       26.62454 172.1938       23.91598 56.15155 4.892927 59.13856 4.158033 -2.987011      6.421057 
1 1 1 11  6  15 o 54.49430 3.311923 145.9821       17.58256 148.0332       26.30394 144.3254       23.63985 54.72792 4.964221 54.08015 4.506741 0.6477699      6.704789 
1 1 1 11  6  16 f 102.2048 3.026576 512.0268       30.24476 511.3727       43.33180 512.6483       42.23440 102.0552 4.347722 102.1912 4.231430 -0.1360550     6.066934 
1 1 1 11  6  17 o 451.8216 9.888878 10068.19       437.3410 10080.00       760.5792 10062.36       534.5513 448.2079 17.36927 450.6636 12.12902 -2.455658      21.18501 
1 1 1 11  6  18 o 160.6197 3.652768 1264.040       57.42845 1301.352       83.22136 1230.120       79.34914 162.7939 5.229427 158.2813 5.128378 4.512634       7.324423 
1 1 1 11  6  19 o 184.3594 3.995167 1665.869       72.09521 1716.616       104.2941 1619.427       99.77220 186.9183 5.707039 181.5556 5.621048 5.362732       8.010398 
1 1 1 11  6  20 o 85.05151 3.115865 354.8400       25.89597 369.5313       37.47545 341.4142       35.82514 86.69797 4.430721 83.32746 4.407996 3.370506       6.249937 
1 1 1 11  6  21 o 146.7435 3.470663 1055.206       49.85141 1106.000       97.53832 1037.246       57.99886 149.8358 6.667184 145.3977 4.079294 4.438065       7.816136 
1 1 1 11  6  22 o 225.7731 4.617440 2500.549       102.0422 2422.000       196.6027 2529.512       119.3814 221.2744 9.096597 226.9831 5.373249 -5.708633      10.56503 
1 1 1 11  6  23 o 257.2660 5.930898 3252.422       149.3513 3413.000       264.0489 3176.881       181.1053 262.2736 10.30551 253.8941 7.294955 8.379440       12.62616 
1 1 1 11  6  24 o 167.5331 5.252000 1379.648       86.01910 1490.000       124.5469 1279.000       118.9451 173.7579 7.339409 160.9178 7.572797 12.84012       10.54581 
1 1 1 11  6  25 o 269.7122 5.364750 3573.869       141.6303 3671.000       284.2897 3541.804       163.3440 271.6062 10.71441 268.3234 6.219257 3.282837       12.38861 
1 1 1 11  6  26 o 106.4166 3.700190 556.0040       38.48384 539.8000       59.68277 567.5359       50.34874 104.6008 5.852520 107.4002 4.801498 -2.799370      7.570097 
1 1 1 11  6  27 f 143.0501 4.866529 1006.413       68.04261 917.6000       88.90392 1132.000       105.7195 136.2846 6.684904 151.3061 7.158566 -15.02150      9.794539 
1 1 1 11  6  28 o 171.4539 3.810457 1442.419       63.94852 1374.482       87.04179 1522.095       94.26296 167.0783 5.329144 175.7990 5.484666 -8.720688      7.647309 
1 1 1 11  6  29 o 72.21046 3.151107 256.1918       22.21890 247.5672       29.10534 268.2385       34.39828 70.87212 4.214604 73.70845 4.793752 -2.836327      6.383020 
1 1 1 11  6  30 o 182.2190 3.966137 1631.019       70.74041 1611.369       98.38669 1652.049       101.7839 180.7126 5.568782 182.9489 5.690775 -2.236252      7.962176 
1 1 1 11  6  31 o 81.20145 3.030365 323.9550       24.04376 313.4647       32.24422 337.0934       36.08506 79.73860 4.145442 82.64829 4.477255 -2.909691      6.101680 
1 1 1 11  6  32 o 146.9435 4.007778 1062.966       57.59098 1060.059       70.10624 1069.000       100.9951 146.5324 4.894709 146.4651 7.065504 0.6730652E-01  8.595320 
1 1 1 11  6  33 o 21.88731 6.430746 24.22152       14.68438 28.64425       18.61164 16.92829       23.90007 23.89648 7.291661 21.58578 8.199633 2.310694       10.97280 
1 1 1 11  6  34 o 165.8084 3.777221 1353.816       61.30347 1407.400       87.41753 1301.965       85.99245 168.4751 5.307606 161.9857 5.431152 6.489380       7.593951 
1 1 1 11  6  35 o 40.82112 4.276927 83.15868       16.83585 76.10764       21.97365 93.18192       26.19870 38.66418 6.000538 42.75011 6.462393 -4.085926      8.818673 
1 1 1 11  6  36 o 32.13315 5.753675 52.95827       17.43234 37.46000       24.53860 68.74909       24.76912 27.09252 8.391942 36.35117 7.215878 -9.258646      11.06768 
1 1 1 11  6  37 o 40.68000 4.784238 83.23209       18.68644 79.56000       26.83629 86.68820       26.03514 39.10063 7.279658 41.02178 6.716143 -1.921146      9.904545 
1 1 1 11  6  38 o 71.72700 3.357363 254.3045       23.50609 252.0746       32.24467 256.8335       34.33937 71.08747 4.659718 71.67995 4.924191 -0.5924835     6.779427 
1 1 1 11  6  39 o 96.29974 3.229468 457.9463       30.39817 461.9270       41.77090 453.4646       44.32139 96.33726 4.441643 95.32913 4.764974 1.008125       6.514074 
1 1 1 11  6  40 o 70.94303 4.234033 250.7144       29.26779 246.7000       54.05702 252.3792       34.81154 68.76293 8.192315 70.91936 5.047781 -2.156425      9.622584 
1 1 1 11  6  41 o 44.38871 6.721491 102.2358       28.29118 63.38000       48.40168 122.4000       34.86765 34.50248 11.85833 48.28505 7.630642 -13.78257      14.10130 
1 1 1 11  6  42 o 46.60034 4.328857 109.1062       19.51976 112.1319       26.24400 105.3600       29.20262 46.75820 5.862636 44.93427 6.856348 1.823933       9.021087 
1 1 1 11  6  43 o 41.75364 5.785313 89.97479       23.00985 99.38112       25.81919 53.67000       50.72414 43.75671 6.201828 32.36112 12.01818 11.39559       13.52402 
1 1 1 11  6  44 o 49.95158 5.047053 127.2044       24.33892 133.8709       27.41521 102.4000       52.88190 51.03561 5.578734 41.23746 12.22651 9.798149       13.43912 
1 1 1 11  6  45 o 48.35184 4.223053 118.0750       19.78654 136.6634       27.41445 97.86230       28.58716 51.50489 5.524026 42.80479 7.069526 8.700096       8.971793 
1 1 1 11  6  46 o 15.58255 6.490907 4.308343       16.40782 19.57702       22.81122 -12.05966      23.61814 21.21226 8.021456 15.38274 7.028826 5.829514       10.66528 
1 1 1 11  6  47 o 51.16419 4.194034 132.4847       20.81992 115.0941       28.55616 152.2193       30.41973 46.64530 6.424881 54.06647 5.840654 -7.421169      8.682877 
1 1 1 11  6  48 o 12.25056 5.678944 -12.03147      16.21764 11.05112       22.98438 -34.91756      22.88634 19.16554 7.800505 12.42601 6.028228 6.739529       9.858368 
1 1 1 11  6  49 o 32.12696 6.051187 55.18596       18.33109 46.50941       25.93787 63.84407       25.91029 28.63803 8.580297 33.70169 7.978804 -5.063660      11.71677 
1 1 1 11  6  50 o 18.86970 6.912083 16.46118       16.68060 15.11842       23.08864 17.92723       24.12537 19.98137 7.925913 20.85488 8.153755 -0.8735027     11.37118 
1 1 1 11  6  51 o 15.38429 6.470856 3.970736       16.54791 15.11577       23.13663 -7.701255      23.67728 19.88483 7.919005 15.81943 7.153035 4.065396       10.67130 
1 1 1 11  6  52 o 20.70561 7.085922 22.32991       17.27757 27.41505       24.30086 17.13163       24.56971 23.00695 8.355790 20.58884 8.173183 2.418114       11.68846 
1 1 1 11  6  53 o 22.34738 7.185258 27.15219       17.83475 12.69137       24.67799 42.96267       25.80394 19.66577 8.052863 27.29238 8.628174 -7.626610      11.80229 
1 1 1 11  6  54 o 60.42982 4.853951 188.8655       28.47001 171.7000       40.10704 206.3000       40.42013 55.55724 7.572071 61.63253 6.813741 -6.075294      10.18643 
1 1 1 11  6  55 o 70.67726 5.393547 261.4085       37.03119 286.4000       46.42620 217.7000       61.39739 72.87337 6.579401 58.84936 11.06470 14.02402       12.87308 
1 1 1 11  6  56 o 48.77386 5.690959 126.2862       26.65938 139.3000       53.32363 121.9493       30.78267 45.72952 11.82561 47.11020 6.878314 -1.380676      13.68051 
1 1 1 11  6  57 o 60.55884 5.066434 191.2471       29.75715 109.3000       55.98950 223.5069       35.12940 39.14108 12.74309 65.08998 5.567194 -25.94891      13.90611 
1 1 1 11  6  58 o 27.93419 6.963245 44.25172       18.97164 5.786602       26.60150 84.06718       27.06440 18.61652 8.027491 38.43950 7.462214 -19.82298      10.96017 
1 1 1 11  6  59 o 34.94501 6.594533 68.19398       21.72993 84.41711       29.28215 48.31000       32.41808 37.81494 8.151400 27.90479 9.699379 9.910143       12.66978 
1 1 1 11  7  0  o 540.5259 10.10933 14346.41       534.8662 14531.03       765.7366 14170.51       747.4259 542.8797 14.42296 536.1440 14.25496 6.735718       20.27870 
1 1 1 11  7  1  o 471.5562 10.22837 10919.89       472.1132 10950.00       818.6055 10904.88       577.9072 470.2609 17.81622 470.6634 12.55537 -0.4024353     21.79576 
1 1 1 11  7  2  o 231.6222 4.658328 2627.520       105.6128 2634.436       150.2591 2620.768       148.4749 231.7478 6.630797 231.1502 6.568908 0.5976105      9.333704 
1 1 1 11  7  3  o 144.8353 3.371397 1027.045       47.79586 962.6088       66.71505 1094.991       68.50772 140.1048 4.872211 149.4496 4.688957 -9.344803      6.762008 
1 1 1 11  7  4  o 447.1256 8.405468 9808.066       367.8728 9917.389       524.8263 9702.475       515.7927 448.9009 11.95489 444.0227 11.87829 4.878204       16.85269 
1 1 1 11  7  5  o 74.82904 3.331334 274.6917       24.33909 278.5000       47.47317 273.3337       28.34832 75.09743 6.522919 74.61089 3.895161 0.4865417      7.597417 
1 1 1 11  7  6  o 214.9470 5.072640 2263.352       106.7264 2189.000       183.6118 2301.292       131.1590 210.9916 8.910622 216.6025 6.192620 -5.610870      10.85116 
1 1 1 11  7  7  f 165.1122 4.203655 1336.027       67.88268 1367.000       122.5053 1322.303       81.54696 166.7737 7.523867 164.2106 5.079522 2.563034       9.078002 
1 1 1 11  7  8  o 535.1336 11.57719 14093.84       606.4171 15110.00       1105.864 13656.88       725.1719 550.4301 20.56162 525.8806 14.10067 24.54950       24.93209 
1 1 1 11  7  9  o 390.7722 8.567828 7498.143       327.7182 7461.000       567.4399 7516.732       401.4366 388.2187 14.96066 390.7945 10.50404 -2.575775      18.27994 
1 1 1 11  7  10 o 131.9959 3.259415 853.1377       42.11205 836.4813       60.95727 868.3455       58.24607 130.5757 4.777378 133.0619 4.478432 -2.486206      6.548259 
1 1 1 11  7  11 o 219.3332 4.475073 2356.867       96.07508 2449.239       140.0880 2274.838       132.0127 223.3767 6.413670 215.2844 6.271336 8.092300       8.970218 
1 1 1 11  7  12 o 294.6808 5.738465 4257.745       165.5212 4059.547       227.2786 4481.589       241.5362 287.3672 8.088117 301.9317 8.180269 -14.56454      11.50367 
1 1 1 11  7  13 o 109.8756 3.024598 591.6295       32.49838 600.0121       48.00880 584.5394       44.15232 110.5683 4.444983 109.1516 4.140045 1.416641       6.074360 
1 1 1 11  7  14 o 200.5793 4.199830 1971.329       82.45636 1854.901       113.3402 2102.237       120.1822 194.3592 5.964675 206.9261 5.939751 -12.56688      8.417720 
1 1 1 11  7  15 o 116.3997 3.651677 664.3936       41.55400 623.8514       50.17668 752.9000       74.13720 112.7257 4.556893 123.7109 6.141607 -10.98517      7.647523 
1 1 1 11  7  16 o 153.1699 4.140466 1150.579       62.01980 1042.000       107.6284 1204.556       75.88559 145.3937 7.588935 156.6557 4.955111 -11.26201      9.063392 
1 1 1 11  7  17 o 306.2625 5.959534 4603.984       178.6538 4704.438       256.8538 4509.840       248.6549 309.0045 8.500171 302.5640 8.404161 6.440582       11.95336 
1 1 1 11  7  18 o 149.6123 3.518140 1096.696       51.52126 1062.445       72.49133 1131.657       73.23854 147.0868 5.042533 151.8182 4.934998 -4.731384      7.055589 
1 1 1 11  7  19 o 171.3844 3.815015 1439.536       63.99910 1456.958       91.81848 1423.075       89.25283 172.2080 5.454042 170.2025 5.364045 2.005478       7.649807 
1 1 1 11  7  20 o 192.5454 4.104329 1817.552       77.35377 1820.000       150.7491 1816.677       90.12320 192.0448 8.037240 192.4399 4.784485 -0.3950653     9.353530 
1 1 1 11  7  21 f 39.76121 4.227510 78.39268       16.20128 100.9000       25.90538 63.93441       20.76282 44.91877 6.045234 35.56317 6.189269 9.355598       8.651699 
1 1 1 11  7  22 o 114.6931 3.586467 645.3640       40.21390 696.3000       67.53791 617.3865       50.05406 118.9095 5.820311 112.0907 4.571680 6.818825       7.401099 
1 1 1 11  7  23 o 110.2646 3.550953 596.5492       38.27548 607.7000       62.40672 589.8254       48.46028 111.0650 5.760157 109.5539 4.528865 1.511147       7.327348 
1 1 1 11  7  24 o 196.2013 4.171163 1888.167       80.10606 1899.000       156.5396 1884.324       93.23914 195.9827 8.178164 195.9240 4.861883 0.5873108E-01  9.514214 
1 1 1 11  7  25 o 191.4905 4.746840 1800.233       88.97296 1826.000       151.1218 1786.563       110.0721 192.1296 8.053614 190.5084 5.909932 1.621216       9.989394 
1 1 1 11  7  26 o 132.3802 3.917665 860.3800       50.70823 804.7000       79.65809 898.3153       65.75101 127.6820 6.394084 135.1406 4.979130 -7.458656      8.104076 
1 1 1 11  7  27 o 235.9991 4.802509 2736.356       110.9391 2719.000       217.3518 2742.470       129.0096 233.7502 9.519507 236.1031 5.582312 -2.352829      11.03554 
1 1 1 11  7  28 o 253.7944 5.109294 3167.765       126.9256 3216.000       252.3415 3151.429       146.8551 253.7046 10.18210 252.9257 5.931846 0.7789001      11.78397 
1 1 1 11  7  29 o 90.15047 3.052049 398.9941       26.89299 408.5374       36.25401 387.3180       40.10117 91.11353 4.075375 88.63789 4.638153 2.475632       6.174232 
1 1 1 11  7  30 o 188.4291 4.061129 1744.814       74.90328 1668.478       102.1364 1833.645       110.1787 183.8161 5.683459 192.6575 5.849366 -8.841461      8.155783 
1 1 1 11  7  31 o 128.5038 3.289507 811.2150       41.34241 810.1654       57.00921 812.3792       60.04266 128.2020 4.550231 128.3282 4.788441 -0.1262054     6.605586 
1 1 1 11  7  32 f 82.63300 3.086344 335.7182       24.91955 338.8228       33.74247 331.9933       36.96004 82.85852 4.173825 81.93897 4.627048 0.9195480      6.231404 
1 1 1 11  7  33 o 83.97099 3.464182 347.3015       28.41205 360.5603       34.86737 321.1000       49.01526 85.43871 4.181959 80.14097 6.299019 5.297745       7.560848 
1 1 1 11  7  34 o 141.6715 4.040942 990.3480       55.97929 1014.904       68.12574 939.3000       98.22437 143.1568 4.868840 136.6807 7.369103 6.476105       8.832287 
1 1 1 11  7  35 o 122.0802 3.297694 734.0222       39.36985 737.2734       54.50770 730.4761       56.92574 121.9974 4.572676 121.3582 4.801661 0.6392136      6.630635 
1 1 1 11  7  36 o 17.53841 6.438790 12.52041       14.48716 24.39747       18.54783 -6.062031      23.20012 22.35404 7.337990 16.52655 7.301984 5.827490       10.35206 
1 1 1 11  7  37 o 24.50990 6.454289 31.27974       15.69529 50.93778       20.50799 3.486271       24.38508 31.20559 6.897746 18.63838 7.848243 12.56720       10.44863 
1 1 1 11  7  38 o 84.37643 3.634170 352.3517       29.94423 348.0000       46.07497 355.5337       39.39938 83.18539 5.692954 84.41436 4.787968 -1.228966      7.438707 
1 1 1 11  7  39 o 25.69269 6.690964 34.64741       16.99057 30.52000       23.17442 39.44460       24.98408 24.75961 8.205629 27.51568 8.458157 -2.756067      11.78443 
1 1 1 11  7  40 o 79.12795 3.662684 310.4890       28.29149 315.2301       34.89875 301.4000       48.32037 79.46695 4.505049 76.90127 6.479565 2.565681       7.891782 
1 1 1 11  7  41 o 84.40703 4.099754 354.7896       33.77083 448.0000       64.86720 320.1324       39.55395 93.29736 7.157794 79.79459 5.090741 13.50277       8.783488 
1 1 1 11  7  42 o 127.2039 5.319969 816.1061       66.09306 858.0000       93.63126 774.5000       93.30899 128.6082 7.469978 121.7959 7.868918 6.812256       10.84991 
1 1 1 11  7  43 o 105.2052 3.943637 552.1901       40.53880 570.6214       47.96442 506.1000       75.84797 106.5808 4.608521 97.88026 7.986021 8.700539       9.220358 
1 1 1 11  7  44 o 74.29261 3.421635 274.8403       24.81520 289.5561       34.27489 258.6287       35.97475 75.71914 4.646875 71.27192 5.192332 4.447220       6.968053 
1 1 1 11  7  45 o 46.27166 4.293960 108.3661       19.22632 91.78719       25.55512 129.9898       29.18531 41.68385 6.473206 49.92826 6.098296 -8.244415      8.893346 
1 1 1 11  7  46 f 26.52134 6.612605 38.06458       17.10617 40.71768       22.99635 34.77789       25.59538 27.17948 8.063720 25.56211 8.626263 1.617371       11.80830 
1 1 1 11  7  47 o 69.28296 3.632942 240.4629       24.55110 245.9549       33.74485 234.2864       35.78598 69.36590 5.003612 67.41505 5.470083 1.950844       7.413362 
1 1 1 11  7  48 o 20.07384 7.117052 19.58852       17.51283 16.88551       23.83915 22.75746       25.81210 20.66001 8.097094 22.41701 8.519920 -1.756994      11.75381 
1 1 1 11  7  49 o 60.40536 3.874645 184.0594       22.78859 183.6221       30.98330 184.5746       33.63571 59.52896 5.375174 59.37725 5.863742 0.1517105      7.954619 
1 1 1 11  7  50 f 39.57859 6.489113 84.35456       24.26879 64.81000       48.62415 90.83855       28.00659 32.51493 11.81805 40.63036 7.310912 -8.115425      13.89661 
1 1 1 11  7  51 o 14.87286 6.340582 2.283795       16.24947 14.95765       22.17755 -12.40671      23.87688 19.60769 7.771070 15.20886 6.993068 4.398823       10.45431 
1 1 1 11  7  52 o 26.56772 6.732698 39.22242       17.52752 51.83771       24.16081 25.20739       25.46595 29.98594 8.059443 22.58873 8.489914 7.397211       11.70612 
1 1 1 11  7  53 o 68.44012 4.024438 237.8782       26.84116 238.0498       34.13065 237.6000       43.45428 67.66045 5.193212 66.24674 6.797664 1.413712       8.554396 
1 1 1 11  7  54 o 63.55681 4.717435 208.3162       29.13846 232.2240       33.65838 136.8000       58.21378 66.76962 5.190760 44.42625 12.73192 22.34337       13.74939 
1 1 1 11  7  55 o 12.44628 5.858327 -16.52320      18.37015 -14.22000      28.15998 -18.22947      24.23764 16.32039 7.536574 14.52629 6.802962 1.794095       10.15284 
1 1 1 11  7  56 o 41.54225 5.576218 91.75182       22.10229 119.8000       35.27076 73.61604       28.36159 45.64699 8.195139 35.48245 8.312502 10.16454       11.67296 
1 1 1 11  7  57 o 26.84513 7.447927 41.21061       20.25720 20.31000       31.15972 56.51036       26.65977 22.26758 9.075188 30.86372 8.537163 -8.596136      12.45962 
1 1 1 11  7  58 o 14.01715 6.522159 -14.15483      21.70017 -18.82000      48.93587 -13.01292      24.21073 20.70004 9.685246 15.06028 6.966487 5.639756       11.93046 
1 1 1 11  7  59 o 21.94232 7.642964 26.56759       20.13449 21.47299       27.38717 32.56000       29.70249 21.55922 8.605842 24.19175 9.152102 -2.632536      12.56270 
1 1 1 11  8  0  o 186.5259 3.962707 1703.696       72.34978 1759.885       105.2065 1653.280       99.65517 189.4374 5.680171 183.6134 5.551219 5.824005       7.942315 
1 1 1 11  8  1  o 616.9575 11.50531 18715.40       694.8001 19640.40       1018.660 17910.71       950.1094 630.2631 16.52632 601.9936 16.13866 28.26947       23.09925 
1 1 1 11  8  2  o 333.6010 6.394958 5454.600       208.8196 5536.307       298.6909 5376.485       292.0520 335.7184 9.097903 330.8430 9.026887 4.875366       12.81626 
1 1 1 11  8  3  o 371.8791 10.03563 6798.022       364.9685 6787.000       516.6730 6809.000       515.6154 370.7525 14.26383 371.3658 14.21084 -0.6133423     20.13467 
1 1 1 11  8  4  o 258.3522 7.225014 3275.586       182.5284 3301.000       260.2973 3251.000       256.0240 258.9911 10.28830 257.0317 10.19648 1.959412       14.48507 
1 1 1 11  8  5  o 463.3849 8.712386 10540.21       395.1712 10513.75       559.2615 10566.58       558.4522 461.9434 12.37974 463.1156 12.33039 -1.172241      17.47274 
1 1 1 11  8  6  o 159.2150 3.573109 1241.289       55.68478 1181.664       78.35751 1302.124       79.14880 155.2140 5.164743 162.9544 4.967975 -7.740417      7.166265 
1 1 1 11  8  7  o 201.8444 4.202170 1995.465       83.02264 2003.834       119.0792 1987.548       115.8124 202.0957 6.026402 201.2836 5.884466 0.8121033      8.422853 
1 1 1 11  8  8  o 159.1077 4.137409 1240.780       64.38094 1086.000       108.1218 1325.805       80.13622 148.5861 7.457954 164.4197 4.985065 -15.83363      8.970616 
1 1 1 11  8  9  o 242.5332 5.613136 2883.306       133.2548 2729.000       225.8683 2965.687       165.0363 235.3769 9.825195 245.7841 6.866656 -10.40718      11.98689 
1 1 1 11  8  10 o 247.5295 5.709560 3003.812       138.3362 2910.000       237.9712 3051.694       170.0132 242.9980 10.02650 249.2931 6.974183 -6.295059      12.21352 
1 1 1 11  8  11 o 61.11352 3.155451 183.3786       18.81186 191.7638       30.72431 178.3500       23.79317 62.34485 5.078678 60.20237 4.061456 2.142483       6.502953 
1 1 1 11  8  12 o 128.5676 3.229636 810.0091       40.61135 808.4396       59.48627 811.3792       55.57888 128.3488 4.743145 128.6052 4.421722 -0.2564087     6.484524 
1 1 1 11  8  13 o 161.0438 3.617635 1270.403       57.02629 1242.309       81.11015 1297.866       80.19238 159.0937 5.215588 162.6308 5.043702 -3.537064      7.255432 
1 1 1 11  8  14 o 58.84546 5.176331 171.1048       29.51188 224.6000       51.73489 145.3000       35.93154 67.11607 8.034463 53.95114 6.966533 13.16494       10.63415 
1 1 1 11  8  15 o 177.5092 4.506936 1545.524       78.24508 1520.000       139.9096 1557.141       94.38535 175.5945 8.162447 178.0881 5.420875 -2.493607      9.798542 
1 1 1 11  8  16 o 191.1504 4.082050 1790.672       76.37651 1787.224       109.1056 1793.986       106.9519 190.7411 5.850736 191.1172 5.723642 -0.3760529     8.184814 
1 1 1 11  8  17 o 126.5815 3.265914 785.4273       40.43135 779.5089       58.31889 790.9044       56.10261 125.9928 4.737308 126.9303 4.522788 -0.9375229     6.549634 
1 1 1 11  8  18 o 196.9989 4.183708 1902.469       80.67361 1893.830       114.4258 1911.008       113.7566 196.2955 5.962261 197.1932 5.900207 -0.8976898     8.388146 
1 1 1 11  8  19 o 130.1538 3.721229 830.8840       47.35910 840.8000       79.84972 825.5030       58.82193 130.6691 6.261232 129.6524 4.642524 1.016693       7.794617 
1 1 1 11  8  20 o 211.1843 5.040261 2188.567       104.1888 2228.000       179.8531 2168.649       127.8209 212.3515 8.671035 209.9830 6.225749 2.368546       10.67459 
1 1 1 11  8  21 o 163.7490 5.280886 1317.716       84.53242 0.000000       0.000000 1317.716       84.53242 ?        ?        163.7490 5.280886 ?              ?        
1 1 1 11  8  22 o 162.4876 3.686678 1294.212       58.63565 1297.000       112.5753 1293.173       68.68867 162.1609 7.109637 162.3167 4.327164 -0.1557770     8.322937 
1 1 1 11  8  23 o 92.54959 3.091450 420.1651       27.96618 417.0000       49.34538 421.6628       33.94389 91.97110 5.506583 92.66473 3.750066 -0.6936264     6.662241 
1 1 1 11  8  24 o 100.6460 3.603911 497.2501       35.44667 556.3000       57.46227 460.9772       45.03645 106.2541 5.544163 96.78831 4.768415 9.465759       7.312696 
1 1 1 11  8  25 o 37.01964 5.770435 68.97990       20.22817 85.79000       25.22573 38.70000       33.85602 41.25810 6.458044 29.07084 9.919853 12.18726       11.83680 
1 1 1 11  8  26 o 76.31738 3.112126 285.9567       23.19930 304.3000       40.61269 277.0720       28.26467 78.50076 5.316816 75.05545 3.860263 3.445305       6.570401 
1 1 1 11  8  27 o 135.7977 3.367960 904.3310       44.76779 898.0000       83.47230 906.8873       53.04145 134.8342 6.342420 135.8766 3.992415 -1.042419      7.494376 
1 1 1 11  8  28 o 115.0147 3.633799 649.7498       40.85784 669.1000       66.40037 637.9591       51.83208 116.3881 5.847215 113.8329 4.661701 2.555145       7.478059 
1 1 1 11  8  29 o 100.8416 3.042587 499.1852       29.99798 520.9525       41.37524 475.0631       43.55581 102.8923 4.116507 98.18905 4.544186 4.703278       6.131497 
1 1 1 11  8  30 o 33.96753 4.532391 57.76296       14.69371 60.19151       18.72638 53.87243       23.70200 34.46766 5.753204 32.29590 7.621415 2.171764       9.549100 
1 1 1 11  8  31 o 55.18136 3.333108 150.0750       17.91919 152.6369       23.66127 146.6296       27.43956 55.51109 4.390363 54.26266 5.230939 1.248428       6.829203 
1 1 1 11  8  32 o 141.8577 3.453634 989.1290       47.95518 988.7979       66.43208 989.4893       69.29629 141.4706 4.804365 141.4614 5.012480 0.9170532E-02  6.943117 
1 1 1 11  8  33 o 36.27018 4.587649 65.95147       15.92345 52.58638       20.45136 86.52682       25.37522 31.89782 6.760469 41.21172 6.506098 -9.313904      9.382604 
1 1 1 11  8  34 o 91.87015 3.147790 415.4873       28.26470 432.3078       38.40502 395.6104       41.74862 93.50205 4.207019 89.29887 4.793853 4.203178       6.378090 
1 1 1 11  8  35 o 26.86098 6.825887 37.57600       17.98101 38.68815       19.97702 32.83000       41.26779 27.25289 7.330078 28.50463 10.78682 -1.251734      13.04169 
1 1 1 11  8  36 o 72.56011 3.206345 259.7985       22.71646 271.0632       30.75182 246.2684       33.70238 73.88922 4.270093 70.24738 4.932804 3.641846       6.524282 
1 1 1 11  8  37 o 68.63167 3.352439 232.8062       22.45307 230.5058       30.13775 235.6757       33.66035 68.01115 4.553379 68.63451 5.045638 -0.6233521     6.796449 
1 1 1 11  8  38 o 74.19301 3.325390 272.1252       24.08833 289.1608       33.03104 252.7734       35.20487 76.18873 4.448552 71.01858 5.098281 5.170151       6.766246 
1 1 1 11  8  39 o 51.19277 4.805019 131.6745       23.79596 122.4000       31.03757 144.9000       37.06382 48.75579 6.678996 52.85362 7.363907 -4.097836      9.941635 
1 1 1 11  8  40 o 53.97167 4.213135 145.5796       22.08132 143.7000       32.01166 147.2858       30.49865 52.95551 6.299065 53.76820 5.891282 -0.8126945     8.624698 
1 1 1 11  8  41 o 72.09172 3.979358 258.8529       27.97156 247.8957       32.04718 293.9000       57.31475 70.30988 4.683281 74.98833 7.928398 -4.678459      9.208291 
1 1 1 11  8  42 o 62.38350 6.283298 200.1697       37.84537 208.5000       52.41934 191.1000       54.69610 62.27113 8.848814 58.98518 9.818421 3.285957       13.21752 
1 1 1 11  8  43 o 27.48089 7.847608 40.84256       22.15462 55.61000       44.35301 35.93302       25.57355 32.05665 11.32988 26.16810 8.617747 5.888548       14.23488 
1 1 1 11  8  44 o 92.01740 3.307695 421.1022       29.74367 385.0828       39.95213 465.8899       44.55033 87.28545 4.693447 95.98898 4.756398 -8.703529      6.682198 
1 1 1 11  8  45 o 53.37877 3.976247 143.3673       20.62610 165.3641       28.07232 117.5601       30.40677 56.86647 5.097323 47.08032 6.794555 9.786144       8.494039 
1 1 1 11  8  46 o 17.74231 6.807328 12.33314       16.57930 9.606878       21.78130 16.08844       25.56361 18.57207 7.580566 20.97097 8.332982 -2.398897      11.26515 
1 1 1 11  8  47 o 33.40493 5.755805 58.88891       18.14090 47.35291       24.17358 73.76106       27.44733 29.08767 8.160541 36.44643 7.920495 -7.358753      11.37228 
1 1 1 11  8  48 o 15.59362 6.544220 3.963148       16.86617 -14.86148      22.27799 29.24149       25.81590 14.40078 6.668845 23.95297 8.624147 -9.552192      10.90181 
1 1 1 11  8  49 o 21.02792 8.008165 19.71880       22.83309 19.70000       48.59230 19.72413       25.86661 25.59508 10.93962 21.61880 8.445656 3.976273       13.82043 
1 1 1 11  8  50 o 40.65221 4.896393 85.65089       19.09163 92.34683       25.62656 77.29923       28.62007 41.38089 6.544178 36.88517 8.145002 4.495716       10.44832 
1 1 1 11  8  51 o 52.96601 4.128585 142.8735       21.23552 142.2129       28.54437 143.6923       31.77837 51.94458 5.707958 51.75035 6.410490 0.1942253      8.583424 
1 1 1 11  8  52 o 17.06925 6.971220 8.591942       18.43348 -14.01302      22.87371 50.47000       31.13351 14.60174 6.760339 29.14879 9.503311 -14.54705      11.66255 
1 1 1 11  8  53 o 18.87401 7.102959 16.15417       17.83772 19.39076       23.83925 12.03692       26.88765 20.90705 8.124880 20.00365 8.318925 0.9033947      11.62833 
1 1 1 11  8  54 o 48.16116 4.575334 119.7019       21.31005 127.2103       29.42234 111.4170       30.90633 48.56138 6.341181 44.75182 7.307493 3.809563       9.675228 
1 1 1 11  8  55 o 39.07948 5.369923 80.72909       19.99851 100.2223       28.14466 60.85020       28.42171 42.60027 6.991947 31.98476 8.802143 10.61551       11.24122 
1 1 1 11  8  56 o 27.55918 7.008574 42.88353       18.94639 45.83624       27.27854 40.13157       26.33486 27.81808 8.880404 26.28744 8.748383 1.530640       12.46578 
1 1 1 11  8  57 o 47.96497 5.300174 121.3167       24.46945 135.2000       39.01868 112.3174       31.41452 48.06678 8.609375 44.65010 7.450249 3.416679       11.38541 
1 1 1 11  8  58 o 19.27443 7.525052 16.27350       20.52432 23.17000       34.29029 12.42347       25.62055 23.04471 9.470675 19.53015 8.121154 3.514557       12.47585 
1 1 1 11  8  59 o 37.84316 7.808261 83.69117       27.96336 80.50000       51.57316 85.02000       33.28002 33.22702 12.15667 36.94558 9.230004 -3.718559      15.26361 
1 1 1 11  9  0  o 439.2461 9.563274 9476.355       411.1694 9629.000       719.9847 9402.480       500.8800 440.8536 16.71514 436.9857 11.72067 3.867859       20.41495 
1 1 1 11  9  1  o 643.5896 12.00069 20386.96       755.9996 22229.71       1137.659 18929.72       1011.684 669.7649 17.36801 618.2986 16.73169 51.46625       24.11633 
1 1 1 11  9  2  o 261.4515 5.165505 3349.061       132.1935 3408.716       190.1729 3293.284       183.8854 263.5207 7.379986 259.0293 7.259733 4.491425       10.35219 
1 1 1 11  9  3  o 240.2021 5.545541 2827.346       130.3848 3030.000       236.7130 2739.084       156.2190 248.1426 9.764799 236.2542 6.762310 11.88837       11.87772 
1 1 1 11  9  4  o 169.0408 3.711745 1399.308       61.41518 1340.243       86.20345 1460.191       87.51988 165.2974 5.334842 172.5532 5.187652 -7.255829      7.441255 
1 1 1 11  9  5  o 94.01071 3.342568 433.3047       30.70945 521.3000       61.25861 403.7677       35.49123 102.9411 6.107003 90.70912 4.007163 12.23199       7.304303 
1 1 1 11  9  6  o 203.5003 4.222690 2028.447       84.11246 2033.483       120.3464 2023.638       117.6068 203.5755 6.046207 203.0922 5.922392 0.4832611      8.463531 
1 1 1 11  9  7  o 157.4993 4.096547 1215.849       63.10067 1297.000       117.2242 1182.742       74.87388 162.4097 7.393323 155.2862 4.932218 7.123474       8.887520 
1 1 1 11  9  8  o 82.04457 3.003356 330.0328       24.07850 310.0440       37.15483 344.5062       31.61606 79.40125 4.803053 83.77872 3.865806 -4.377464      6.165531 
1 1 1 11  9  9  o 356.8837 7.880729 6254.447       275.2956 6490.000       491.7391 6146.917       332.2418 362.0036 13.90349 353.3847 9.613998 8.618896       16.90373 
1 1 1 11  9  10 o 302.8079 6.797892 4499.596       201.4873 4572.000       355.6982 4465.387       244.4961 304.1519 11.97110 301.3447 8.296896 2.807159       14.56522 
1 1 1 11  9  11 o 128.4550 3.738507 808.9532       46.95620 732.4000       84.17883 843.5331       56.57609 121.9364 7.083321 131.1306 4.414100 -9.194199      8.346120 
1 1 1 11  9  12 o 137.8973 3.960062 932.3993       53.39665 952.5316       67.05202 897.5000       88.28220 139.3087 4.925056 135.0508 6.699271 4.257874       8.314831 
1 1 1 11  9  13 o 200.3250 4.864464 1967.383       95.38417 2057.000       175.0034 1929.509       113.7681 204.2590 8.773501 198.2240 5.869981 6.035004       10.55609 
1 1 1 11  9  14 o 167.5138 3.722977 1374.808       61.04458 1310.695       85.61836 1441.098       87.05984 163.3802 5.361049 171.3397 5.197040 -7.959473      7.466597 
1 1 1 11  9  15 f 134.2564 3.349185 882.9626       44.01294 841.7578       62.69117 923.0117       61.80566 130.9272 4.900465 137.1344 4.610983 -6.207230      6.728724 
1 1 1 11  9  16 o 339.2159 6.533517 5652.239       216.9349 5596.281       305.3883 5709.239       308.2158 336.7836 9.272753 340.1703 9.265244 -3.386688      13.10834 
1 1 1 11  9  17 o 135.3597 3.353097 897.6529       44.42646 870.7852       63.35956 923.6382       62.31057 133.1531 4.869526 137.1607 4.647865 -4.007614      6.731637 
1 1 1 11  9  18 o 84.39422 3.355784 349.5155       27.66599 288.7000       44.59025 387.5801       35.27715 76.43531 6.008175 88.82527 4.068229 -12.38996      7.255939 
1 1 1 11  9  19 o 92.44150 3.375841 419.2794       30.49476 367.7000       48.35540 453.3380       39.29347 86.33916 5.754627 96.06503 4.188843 -9.725868      7.117734 
1 1 1 11  9  20 o 188.8842 4.631085 1750.203       85.62186 1665.000       141.7294 1799.170       107.4448 183.6514 7.902726 191.3022 5.744490 -7.650848      9.769966 
1 1 1 11  9  21 o 120.2228 3.211154 708.7184       37.75420 692.1000       69.65816 715.6307       44.92497 118.5193 6.024258 120.7620 3.805340 -2.242760      7.125468 
1 1 1 11  9  22 o 167.5411 3.767916 1376.137       61.79150 1460.000       122.7624 1347.681       71.51073 172.0130 7.307831 165.6888 4.413251 6.324249       8.537048 
1 1 1 11  9  23 o 86.98649 3.527676 371.5254       29.97400 396.4000       46.88832 354.3353       38.97853 89.67150 5.366554 84.83665 4.712437 4.834846       7.141916 
1 1 1 11  9  24 o 126.4153 3.763371 784.3782       46.51565 783.1000       75.35022 785.1653       59.12700 126.0140 6.127215 126.3666 4.788882 -0.3525391     7.776641 
1 1 1 11  9  25 o 164.1176 3.706485 1320.940       59.54201 1415.000       118.9394 1289.484       68.78109 169.2282 7.196802 162.0321 4.340634 7.196136       8.404468 
1 1 1 11  9  26 o 159.4339 3.651674 1246.852       56.98740 1295.000       110.8021 1229.534       66.44984 161.8475 7.010792 158.1970 4.295281 3.650513       8.221961 
1 1 1 11  9  27 o 126.2509 3.283536 782.1932       40.54280 791.0000       75.44144 778.6169       48.07508 126.5444 6.108653 125.8915 3.906097 0.6528625      7.250741 
1 1 1 11  9  28 o 203.5503 4.295149 2035.728       85.57684 2101.000       169.7442 2013.485       99.09142 205.4703 8.458028 202.2940 5.004340 3.176285       9.827597 
1 1 1 11  9  29 o 123.4734 3.213587 748.5499       38.80613 783.0861       54.04314 711.7882       55.75729 126.1188 4.384453 120.1706 4.749560 5.948235       6.463881 
1 1 1 11  9  30 o 167.5534 3.751087 1379.459       61.52002 1445.808       87.65089 1315.037       86.36819 171.1351 5.238689 163.1562 5.415595 7.978912       7.534755 
1 1 1 11  9  31 o 60.23125 3.223265 178.6675       18.93388 158.2380       24.31239 210.1541       30.18296 56.50712 4.431017 65.11236 4.768862 -8.605240      6.509682 
1 1 1 11  9  32 f 45.12526 3.786344 100.9031       16.57014 126.2380       21.64931 65.06918       25.74731 50.40626 4.432976 35.41268 7.651665 14.99358       8.843034 
1 1 1 11  9  33 o 65.27579 3.271758 210.0463       20.83785 225.2226       28.05124 191.3602       31.12641 67.43220 4.271858 61.95296 5.180254 5.479240       6.714447 
1 1 1 11  9  34 o 59.86903 3.377417 176.9752       19.71189 177.1459       26.03091 176.7456       30.18086 59.69854 4.487559 59.46606 5.238591 0.2324867      6.897900 
1 1 1 11  9  35 o 71.87316 3.196043 254.8121       22.42839 279.3269       30.45195 225.7475       33.15757 75.05877 4.161121 67.23216 5.075973 7.826607       6.563568 
1 1 1 11  9  36 o 121.9251 3.836616 735.0744       45.73060 740.3722       54.39286 722.3000       84.46278 122.1076 4.558859 119.2954 7.267767 2.812210       8.579256 
1 1 1 11  9  37 o 64.91631 3.383640 208.4522       21.42607 212.8425       28.62049 202.8545       32.31725 65.33466 4.502893 63.56760 5.240388 1.767056       6.909249 
1 1 1 11  9  38 o 101.2651 3.616224 507.5044       35.78686 498.8240       43.19647 526.5000       63.90081 100.1211 4.418629 101.9378 6.437070 -1.816734      7.807699 
1 1 1 11  9  39 o 38.07202 4.734247 73.26884       17.26259 64.17027       21.97259 87.94080       27.90222 35.06351 6.645216 41.00261 7.215554 -5.939098      9.809339 
1 1 1 11  9  40 o 45.82264 5.687452 107.1767       24.96231 106.7000       29.11346 108.5000       48.50571 45.34449 6.766129 43.87402 11.24422 1.470467       13.12299 
1 1 1 11  9  41 o 33.56320 7.030118 59.70517       22.35468 59.87000       25.30797 59.12000       47.68523 33.36126 7.877091 33.42974 11.75357 -0.6847382E-01 14.14902 
1 1 1 11  9  42 o 45.47090 4.645132 104.6080       20.38449 107.1000       29.56023 102.3485       28.14768 45.16445 6.905617 44.21232 6.715070 0.9521294      9.632222 
1 1 1 11  9  43 o 30.61664 6.001337 49.40956       17.34180 40.32343       23.01281 61.34983       26.38075 27.27907 8.059827 33.42476 8.140131 -6.145685      11.45524 
1 1 1 11  9  44 o 51.31074 5.125631 134.7514       25.39902 157.6000       47.83377 125.7798       29.97355 52.90452 9.590137 48.96711 6.407105 3.937416       11.53350 
1 1 1 11  9  45 o 54.51423 5.025106 152.0332       26.51241 95.39000       48.48970 176.1878       31.66467 39.53316 11.70435 58.41675 5.606470 -18.88359      12.97784 
1 1 1 11  9  46 o 22.50175 7.074319 26.85416       17.36933 58.34377       24.05132 -7.470829      25.11080 32.47227 7.686927 16.54535 7.433866 15.92693       10.69351 
1 1 1 11  9  47 o 13.88814 6.188244 -4.601902      17.01629 -12.39712      23.05271 4.729992       25.22277 15.06407 6.906083 18.55118 7.903877 -3.487117      10.49596 
1 1 1 11  9  48 o 21.81253 8.554990 19.65348       26.62795 0.000000       0.000000 19.65348       26.62795 ?        ?        21.81253 8.554990 ?              ?        
1 1 1 11  9  49 o 52.47392 4.215417 139.9641       21.46960 141.1004       28.87874 138.5600       32.10152 51.85891 5.787717 50.88911 6.599884 0.9697914      8.778162 
1 1 1 11  9  50 o 63.69960 3.792541 204.9052       23.53980 193.0758       31.63656 219.5776       35.23383 60.90219 5.361697 64.79228 5.610839 -3.890091      7.760754 
1 1 1 11  9  51 f 24.77643 7.349818 34.31307       19.10574 30.16682       24.67529 40.52000       30.19070 23.76875 8.445897 26.72880 9.355677 -2.960051      12.60404 
1 1 1 11  9  52 o 57.83519 4.001735 169.9795       22.51441 171.9093       30.65303 167.7189       33.17690 57.21761 5.542479 56.08522 6.143820 1.132389       8.274395 
1 1 1 11  9  53 o 30.24777 7.823761 52.58549       23.33669 54.73466       26.20539 44.35000       51.29800 30.54775 8.469584 28.63455 11.65386 1.913198       14.40647 
1 1 1 11  9  54 o 15.41525 6.657840 1.420687       18.35633 -16.55350      25.22036 21.66896       26.76829 15.07209 7.019172 21.89538 8.580468 -6.823285      11.08572 
1 1 1 11  9  55 o 16.75350 6.916334 7.533842       18.39701 3.430152       26.20034 11.52483       25.83805 18.24264 7.916379 19.60631 8.154415 -1.363678      11.36501 
1 1 1 11  9  56 o 20.18493 7.376233 20.27834       18.97883 32.27048       27.28442 9.036711       26.41685 24.29770 8.849550 19.22006 8.134734 5.077639       12.02033 
1 1 1 11  9  57 o 39.17589 5.550165 81.98682       20.68773 48.06901       29.57782 114.4714       28.94616 28.18788 9.267159 45.60315 6.682964 -17.41527      11.42551 
1 1 1 11  9  58 o 57.20076 4.213580 168.3691       23.42612 157.4822       33.64361 178.6151       32.63833 53.51907 6.559224 57.64502 5.866054 -4.125954      8.799660 
1 1 1 11  9  59 o 17.53985 7.428924 7.302619       22.05793 18.27000       35.31024 0.2837000      28.24778 22.18753 9.398429 17.99602 7.998602 4.191509       12.34132 
1 1 1 11  10 0  o 647.2968 12.09704 20640.69       766.4590 21775.68       1128.445 19668.64       1044.311 662.3211 17.42139 629.6735 16.95914 32.64764       24.31291 
1 1 1 11  10 1  o 315.6617 8.639972 4896.701       266.7054 4999.000       383.6252 4801.000       371.0461 318.2711 12.33750 311.9287 12.17590 6.342316       17.33397 
1 1 1 11  10 2  o 164.4121 5.159063 1325.861       82.92260 1330.000       119.3569 1322.000       115.2894 164.4750 7.433018 164.0017 7.199364 0.4733276      10.34798 
1 1 1 11  10 3  o 81.08094 4.208164 322.8774       33.28349 278.5000       50.11471 357.9000       44.52029 75.03748 6.900293 85.29032 5.359860 -10.25285      8.737399 
1 1 1 11  10 4  o 216.6076 4.441789 2298.449       94.17546 2213.585       131.3975 2388.092       135.0459 212.3739 6.327970 220.5999 6.260503 -8.225922      8.901522 
1 1 1 11  10 5  o 480.4107 9.027962 11341.16       424.5302 11496.85       606.6946 11191.80       594.2514 482.5304 12.85661 476.1119 12.76283 6.418488       18.11580 
1 1 1 11  10 6  o 434.7255 8.206921 9281.499       349.2220 9568.993       505.6338 9019.277       482.8993 440.4547 11.73859 427.6612 11.54644 12.79352       16.46556 
1 1 1 11  10 7  o 134.0038 3.792740 880.2283       49.69806 737.6000       84.94351 954.4622       61.28138 122.3913 7.121200 139.5018 4.493756 -17.11047      8.420530 
1 1 1 11  10 8  o 136.1685 3.318837 908.0351       44.23529 873.4470       63.90496 939.8537       61.29305 133.4108 4.902036 138.4224 4.529851 -5.011612      6.674542 
1 1 1 11  10 9  o 309.0024 5.989618 4683.215       181.1621 4715.081       258.3865 4652.405       254.0718 309.5898 8.534763 307.5398 8.448129 2.050049       12.00887 
1 1 1 11  10 10 f 261.2618 5.183486 3346.437       132.5574 3206.894       183.5847 3498.433       191.6012 255.4281 7.350444 266.7961 7.343882 -11.36807      10.39046 
1 1 1 11  10 11 o 339.6820 9.312350 5685.093       309.3344 5444.000       426.3785 5953.000       449.4634 331.2843 13.17514 346.4113 13.28010 -15.12698      18.70683 
1 1 1 11  10 12 o 268.3221 6.130248 3533.400       161.0055 3607.000       286.3083 3499.360       194.7100 270.0941 10.85170 266.7454 7.464699 3.348694       13.17122 
1 1 1 11  10 13 o 285.0892 5.591652 3987.465       156.0368 4035.140       223.5151 3942.144       217.9297 286.3171 7.983209 283.0180 7.874418 3.299164       11.21330 
1 1 1 11  10 14 o 88.76126 3.028789 386.3259       26.27617 388.4420       41.25361 384.8813       34.08455 88.88007 4.759243 88.53608 3.942956 0.3439865      6.180396 
1 1 1 11  10 15 o 214.2782 4.433017 2250.967       92.97871 2246.309       132.6790 2255.462       130.3359 213.7729 6.347820 214.2265 6.222214 -0.4536285     8.888800 
1 1 1 11  10 16 o 173.2305 3.827683 1470.672       64.90324 1413.330       91.18023 1529.567       92.40616 169.6087 5.499471 176.4695 5.355844 -6.860870      7.676538 
1 1 1 11  10 17 o 83.74336 3.541380 344.2592       28.96327 0.000000       0.000000 344.2592       28.96327 ?        ?        83.74336 3.541380 ?              ?        
1 1 1 11  10 18 o 119.1085 3.593886 695.8890       41.85201 663.8000       69.69618 713.9854       52.33917 116.0706 6.156541 120.5779 4.442178 -4.507317      7.591835 
1 1 1 11  10 19 o 310.0756 6.953937 4730.422       211.0594 4573.000       355.5288 4816.093       262.2755 303.0722 12.00834 312.3255 8.587295 -9.253265      14.76286 
1 1 1 11  10 20 o 119.3546 3.190299 698.5045       37.23806 691.3000       70.05376 701.3419       43.96371 118.4468 6.062462 119.5533 3.761554 -1.106499      7.134615 
1 1 1 11  10 21 f 194.9932 4.151846 1864.708       79.24409 1865.000       154.5406 1864.604       92.30262 194.2728 8.144957 194.9159 4.837940 -0.6430817     9.473435 
1 1 1 11  10 22 o 142.9434 5.003110 1004.414       69.89404 0.000000       0.000000 1004.414       69.89404 ?        ?        142.9434 5.003110 ?              ?        
1 1 1 11  10 23 o 144.5226 4.003457 1025.260       56.57941 1035.000       93.55667 1019.643       71.04333 144.8392 6.616542 144.0003 5.048079 0.8389130      8.322364 
1 1 1 11  10 24 o 134.1348 4.690858 884.5010       61.49374 1020.000       89.07125 761.1000       85.00196 143.7993 6.343730 124.0566 7.028834 19.74273       9.468233 
1 1 1 11  10 25 o 204.3548 4.294794 2049.938       85.90796 2107.000       170.6615 2030.572       99.42315 206.1251 8.476688 203.2802 4.996733 2.844833       9.839796 
1 1 1 11  10 26 o 171.1787 3.805691 1437.826       63.76604 1407.000       121.1884 1449.627       74.98556 168.5782 7.362103 171.7385 4.464493 -3.160309      8.610009 
1 1 1 11  10 27 o 64.17102 3.581604 202.6823       22.40764 222.5000       33.08539 185.8893       30.45602 67.06271 5.077951 61.25668 5.126383 5.806030       7.215635 
1 1 1 11  10 28 o 117.8914 3.631916 682.9221       41.86064 676.0000       67.07831 687.3373       53.57275 116.9156 5.880307 118.1239 4.642441 -1.208351      7.492014 
1 1 1 11  10 29 o 102.7582 3.522865 519.1031       35.38147 533.6000       56.17441 509.5703       45.55262 103.8456 5.546546 101.6504 4.590077 2.195190       7.199512 
1 1 1 11  10 30 o 55.01200 3.348235 149.1709       17.94395 154.1345       23.45329 142.1633       27.86677 55.79280 4.328400 53.38919 5.406915 2.403610       6.926022 
1 1 1 11  10 31 o 65.94399 3.129018 214.0560       20.13951 200.7936       25.90407 234.3229       32.02206 63.71770 4.176403 68.74708 4.788642 -5.029377      6.354010 
1 1 1 11  10 32 o 92.66039 3.030951 422.2567       27.45330 440.6335       37.28427 400.4944       40.57362 94.48122 4.040900 89.94666 4.623943 4.534569       6.140824 
1 1 1 11  10 33 o 40.82814 4.015190 82.97619       15.83882 83.12400       20.24590 82.74302       25.42861 40.63425 5.209963 40.18924 6.699813 0.4450111      8.487121 
1 1 1 11  10 34 f 51.80663 3.496207 132.8077       17.62535 121.1932       22.64758 150.6465       28.06755 49.24260 4.757856 54.82502 5.296069 -5.582424      7.119378 
1 1 1 11  10 35 o 54.87326 3.487982 149.0480       18.63749 154.3459       24.55000 141.8411       28.63347 55.62810 4.548371 53.05137 5.598380 2.576729       7.213151 
1 1 1 11  10 36 o 79.37393 3.171403 310.8968       24.59010 322.0761       32.97454 296.8911       36.90832 80.54465 4.196978 77.11769 4.915076 3.426956       6.463172 
1 1 1 11  10 37 o 19.78802 7.415212 15.51008       19.39611 15.51008       19.39611 0.000000       0.000000 19.78802 7.415212 ?        ?        ?              ?        
1 1 1 11  10 38 o 50.78771 3.936078 128.5138       19.41457 127.9553       25.55847 129.2757       29.85139 50.32919 5.265958 50.29760 6.194005 0.3158569E-01  8.129946 
1 1 1 11  10 39 o 64.80959 4.167964 209.4144       26.30031 218.8429       29.94497 177.6000       55.00642 66.10952 4.657382 57.11222 10.21462 8.997303       11.22629 
1 1 1 11  10 40 o 44.60750 5.118378 100.9296       21.94403 102.5937       24.42031 93.95000       50.01209 44.79480 5.698313 40.62368 11.84912 4.171127       13.14810 
1 1 1 11  10 41 o 31.24501 5.785317 50.85398       17.04205 63.74010       22.17033 32.24294       26.64382 34.74819 6.761699 25.44762 8.795978 9.300573       11.09458 
1 1 1 11  10 42 o 35.40790 5.725706 65.13268       19.16731 96.46000       27.75692 36.57815       26.50008 42.78276 6.859962 26.44904 8.774989 16.33371       11.13820 
1 1 1 11  10 43 o 18.13801 6.979249 12.52710       17.46208 14.46000       25.00173 10.68621       24.39949 20.63353 8.227106 19.67095 8.025460 0.9625759      11.49319 
1 1 1 11  10 44 o 85.42412 3.376216 363.4879       28.17480 380.4298       38.93889 344.8715       40.81784 86.75242 4.602061 82.29425 5.092217 4.458168       6.863647 
1 1 1 11  10 45 o 98.30221 4.085228 485.8765       39.22277 464.7000       68.35218 496.2730       47.89269 93.19683 7.557610 98.72237 4.972192 -5.525543      9.046556 
1 1 1 11  10 46 o 68.51954 4.547828 238.3479       30.32912 182.8000       53.94405 264.0229       36.67460 56.10897 10.19763 71.70171 5.262172 -15.59274      11.47528 
1 1 1 11  10 47 o 60.80682 5.692777 192.2066       33.48915 0.000000       0.000000 192.2066       33.48915 ?        ?        60.80682 5.692777 ?              ?        
1 1 1 11  10 48 o 42.22823 4.841885 91.95675       19.65197 104.7593       26.25836 75.65506       29.63032 44.42013 6.208587 36.44077 8.468611 7.979359       10.50066 
1 1 1 11  10 49 o 60.30011 3.852434 183.5911       22.61946 180.8945       30.07916 187.1007       34.31528 59.08604 5.255640 59.63739 5.958117 -0.5513496     7.944867 
1 1 1 11  10 50 o 25.43877 7.254049 36.18363       18.94333 25.52777       23.71027 54.99000       31.49887 22.48417 8.240067 30.37440 9.523457 -7.890236      12.59345 
1 1 1 11  10 51 o 18.99323 7.110287 16.51047       17.82449 -28.05006      23.52216 76.60669       27.31654 13.20785 6.332428 36.70339 7.841618 -23.49554      10.07922 
1 1 1 11  10 52 o 56.44732 4.878961 164.8705       26.69296 159.0083       30.13867 186.2000       57.48920 54.90306 5.690589 54.40111 11.17054 0.5019569      12.53650 
1 1 1 11  10 53 o 25.57508 7.224012 36.84621       18.87667 32.48959       25.97029 41.72597       27.48536 24.38311 8.664640 26.84562 8.937525 -2.462513      12.44811 
1 1 1 11  10 54 o 32.56519 6.380067 58.12025       19.60920 46.65842       26.79691 71.33345       28.77144 28.15263 8.777561 34.85370 8.508854 -6.701075      12.22482 
1 1 1 11  10 55 o 23.78006 7.416986 31.72004       19.13151 45.81169       26.80986 17.09865       27.30913 27.85557 8.793263 20.98419 8.516788 6.871376       12.24162 
1 1 1 11  10 56 o 26.89861 7.242645 41.17464       19.49045 43.18649       27.62591 39.18083       27.50182 27.07456 8.958626 26.02950 8.938961 1.045059       12.65551 
1 1 1 11  10 57 o 35.76886 5.933629 69.43178       20.04690 55.85023       28.77462 82.24126       27.94479 30.25752 9.030697 37.72562 7.824466 -7.468100      11.94888 
1 1 1 11  10 58 o 15.70845 6.741404 3.257883       18.59151 12.76951       27.87826 -4.360274      24.94958 19.98903 8.402768 16.42167 7.391451 3.567366       11.19107 
1 1 1 11  11 0  o 257.7370 5.114317 3255.421       129.0240 3238.969       183.1452 3271.632       181.7972 256.8059 7.293308 258.1096 7.202806 -1.303711      10.25050 
1 1 1 11  11 1  o 451.9001 12.10503 10076.58       534.9623 10660.00       788.0815 9578.000       728.5255 462.8028 17.42792 438.8353 16.99255 23.96753       24.34089 
1 1 1 11  11 2  o 81.89066 3.028283 328.8094       24.23195 330.3717       37.19301 327.6571       31.94162 81.98291 4.653924 81.69029 4.006889 0.2926178      6.141186 
1 1 1 11  11 3  o 114.4769 4.372567 642.9575       48.90593 725.5000       76.73756 586.5000       63.46440 121.4469 6.478726 109.2060 5.959729 12.24089       8.802969 
1 1 1 11  11 4  o 277.1119 5.439114 3764.292       147.5331 3695.713       206.9721 3835.130       210.3558 274.2460 7.717868 279.3775 7.699653 -5.131531      10.90184 
1 1 1 11  11 5  o 368.1909 7.023964 6653.072       253.1404 6820.531       364.6683 6497.333       351.6744 372.1322 10.02051 363.2293 9.900541 8.902954       14.08657 
1 1 1 11  11 6  o 417.3569 7.899491 8556.052       322.7104 8585.407       457.7330 8527.042       455.0417 417.1541 11.22029 415.7411 11.19225 1.413055       15.84807 
1 1 1 11  11 7  o 160.7988 3.628134 1266.461       57.10476 1238.606       81.79670 1292.945       79.75851 158.8629 5.267542 162.3340 5.025565 -3.471024      7.280337 
1 1 1 11  11 8  o 141.9982 3.401417 987.5655       47.27689 977.9787       68.95605 996.0691       64.94347 141.1582 4.998573 142.4856 4.662766 -1.327362      6.835724 
1 1 1 11  11 9  o 200.5611 4.891079 1971.865       96.01910 1894.782       115.5347 2144.000       172.6510 196.4286 6.016080 208.6233 8.472359 -12.19470      10.39106 
1 1 1 11  11 10 o 358.9783 7.943542 6335.576       279.1185 6549.000       497.7153 6237.661       337.1193 362.9739 14.03520 355.6706 9.692471 7.303284       17.05670 
1 1 1 11  11 11 o 79.39965 3.421816 309.3884       26.53144 317.5000       57.53376 307.1975       29.90049 80.03647 7.428719 79.08682 3.874285 0.9496460      8.378302 
1 1 1 11  11 12 o 47.61754 4.023824 111.9041       18.57941 116.8000       47.94345 111.0389       20.15430 47.72268 10.54487 47.39328 4.394602 0.3294029      11.42396 
1 1 1 11  11 13 o 47.11193 4.055604 109.5784       18.52034 146.5000       50.60912 103.8694       19.90076 53.64303 10.00648 45.81109 4.495898 7.831940       10.97009 
1 1 1 11  11 14 o 161.5533 4.251905 1280.257       67.17815 1235.000       121.1886 1300.332       80.71397 158.2335 7.849011 162.7379 5.073230 -4.504425      9.345836 
1 1 1 11  11 15 o 181.8711 3.952120 1621.220       70.35580 1579.713       100.0377 1661.843       98.96719 179.2950 5.707459 183.9272 5.503359 -4.632156      7.928560 
1 1 1 11  11 16 o 312.0983 6.058394 4784.501       185.0782 4863.000       372.4439 4758.761       213.2750 312.6974 12.19168 311.0678 7.004525 1.629608       14.06059 
1 1 1 11  11 17 o 135.4058 3.778026 899.3648       50.02462 899.0000       86.81487 899.5461       61.20766 135.0671 6.586423 135.3429 4.627040 -0.2757874     8.049253 
1 1 1 11  11 18 o 303.1801 6.812283 4521.462       202.1620 4511.000       348.2589 4526.779       248.2755 301.0734 11.84054 302.8517 8.383311 -1.778290      14.50787 
1 1 1 11  11 19 o 139.0243 3.392904 947.1752       46.17092 867.3000       85.98193 979.5397       54.73131 132.6221 6.644626 141.2906 3.961368 -8.668457      7.735857 
1 1 1 11  11 20 o 256.9260 5.133576 3240.848       129.1024 3321.000       259.2834 3214.426       148.8687 258.6744 10.26071 255.7392 5.947028 2.935226       11.85957 
1 1 1 11  11 21 o 142.1296 3.945693 991.3628       54.83950 983.2000       91.11945 995.9987       68.66824 141.1945 6.611418 142.3523 4.935632 -1.157715      8.250534 
1 1 1 11  11 22 f 111.7990 3.220349 613.0866       35.20419 706.3000       68.48182 579.6060       41.04246 119.7110 5.862162 108.6464 3.865488 11.06456       7.021890 
1 1 1 11  11 23 o 154.1796 3.554205 1165.563       53.63836 1197.000       105.1099 1154.493       62.37076 155.6937 6.914347 153.3373 4.159377 2.356430       8.068991 
1 1 1 11  11 24 o 119.4371 3.192610 699.7717       37.29078 784.8000       73.82800 670.6481       43.20770 126.1363 5.996809 116.8685 3.782072 9.267830       7.089837 
1 1 1 11  11 25 o 49.57468 3.602635 121.1863       17.36251 133.9000       27.81287 113.0681       22.22501 51.87279 5.564600 47.72795 4.823451 4.144836       7.364132 
1 1 1 11  11 26 o 93.80292 3.044349 431.8635       27.91524 479.0000       51.42005 412.1657       33.24010 98.51303 5.352628 91.57154 3.716197 6.941490       6.516191 
1 1 1 11  11 27 o 48.51728 3.596177 116.1610       16.95685 110.1000       26.32183 120.4609       22.17025 46.89747 5.861689 49.27870 4.651294 -2.381229      7.482910 
1 1 1 11  11 28 o 90.80872 3.045979 404.9887       27.03619 410.6000       47.65317 402.3251       32.83186 91.10609 5.367433 90.43239 3.716994 0.6737061      6.528812 
1 1 1 11  11 29 o 38.93185 4.029631 75.31591       15.13421 38.28000       22.45124 106.1612       20.48910 27.41455 7.922395 46.20925 4.590526 -18.79469      9.156269 
1 1 1 11  11 30 o 105.1509 3.067897 543.3195       31.54245 518.7669       41.84624 575.6240       47.99974 102.5679 4.176845 107.9769 4.551734 -5.409050      6.177728 
1 1 1 11  11 31 o 144.8566 3.460363 1031.797       49.06437 1054.276       68.26365 1007.776       70.56873 146.0388 4.781905 142.6932 5.060473 3.345657       6.962399 
1 1 1 11  11 32 f 113.2733 3.156940 631.2614       34.96844 673.4061       48.62904 586.1346       50.31999 116.7478 4.262560 108.7875 4.736937 7.960274       6.372439 
1 1 1 11  11 33 o 37.10853 4.347542 68.93976       15.49247 73.46123       19.67898 61.56959       25.12474 38.09497 5.431121 34.31924 7.672230 3.775723       9.400010 
1 1 1 11  11 34 o 56.02828 3.922377 155.7503       21.37523 178.4000       31.47790 136.3692       29.11811 59.62447 5.453890 51.96939 5.824206 7.655075       7.979116 
1 1 1 11  11 35 o 51.09741 3.654344 129.5131       18.15674 121.1994       23.52119 141.7717       28.56152 49.14199 4.957609 53.02009 5.587349 -3.878098      7.469696 
1 1 1 11  11 36 o 131.8296 3.829304 860.0024       49.36039 863.7371       60.14818 852.3000       86.37950 131.7639 4.670975 129.6990 6.828110 2.064896       8.272913 
1 1 1 11  11 37 o 32.04310 5.175071 52.48967       15.67851 55.91236       20.24460 47.36036       24.78305 32.73418 6.547190 29.86059 8.220133 2.873590       10.50887 
1 1 1 11  11 38 o 36.55021 6.256908 69.15991       21.58050 69.15991       21.58050 0.000000       0.000000 36.55021 6.256908 ?        ?        ?              ?        
1 1 1 11  11 39 o 13.81428 6.211237 -7.502722      17.56532 -11.48237      18.88768 17.97000       47.78523 13.74708 6.283034 26.73723 11.10222 -12.99015      12.75680 
1 1 1 11  11 40 o 70.64590 3.447968 247.6148       23.77074 252.7825       31.52414 240.8038       36.19073 71.02486 4.558538 68.99036 5.402287 2.034492       7.068591 
1 1 1 11  11 41 o 99.71667 3.269208 492.8459       31.86612 494.3005       43.32870 491.1324       47.02943 99.32461 4.468132 98.78562 4.878828 0.5389862      6.615676 
1 1 1 11  11 42 o 62.93725 3.546806 197.4678       21.76158 192.2715       29.38196 203.7818       32.38826 61.58785 4.914676 63.25005 5.279541 -1.662205      7.213016 
1 1 1 11  11 43 o 21.94481 6.957128 25.11247       16.76630 34.15489       22.54987 13.93375       25.07251 25.28575 8.074329 20.49422 8.216060 4.791525       11.51948 
1 1 1 11  11 44 o 24.20636 7.316118 31.49122       18.79776 25.55000       27.36056 36.80280       25.87012 23.50522 8.807254 26.17774 8.669542 -2.672520      12.35835 
1 1 1 11  11 45 o 17.25714 6.991596 8.487531       18.36601 -8.179000      26.94936 22.94102       25.09645 17.06466 7.681320 22.42487 8.428145 -5.360210      11.40335 
1 1 1 11  11 46 o 48.56476 6.483968 125.0350       30.05310 0.000000       0.000000 125.0350       30.05310 ?        ?        48.56476 6.483968 ?              ?        
1 1 1 11  11 47 o 27.38648 8.021132 42.00265       22.87656 75.26000       44.19862 29.83299       26.73647 34.95041 11.31781 24.19033 8.767538 10.76007       14.31651 
1 1 1 11  11 48 o 59.60836 4.831966 182.4337       27.95123 148.2000       48.56460 199.3910       34.17988 49.79615 10.30361 61.76932 5.718057 -11.97317      11.78391 
1 1 1 11  11 49 o 55.94941 4.459818 160.0295       24.22210 153.0359       30.26130 172.5000       40.40895 53.91015 5.827203 55.98848 7.567019 -2.078323      9.550710 
1 1 1 11  11 50 o 21.01186 7.276118 22.89867       18.23519 37.30586       25.21145 7.092725       26.40697 25.72960 8.559670 19.03948 8.098753 6.690125       11.78379 
1 1 1 11  11 51 o 37.47157 7.060520 77.83149       24.94702 99.65559       28.04665 -4.856000      54.59245 42.56739 6.972460 23.39323 10.68800 19.17415       12.76121 
1 1 1 11  11 52 o 47.86728 4.716255 118.5613       21.81072 122.7753       30.46021 114.1273       31.24480 47.44209 6.749571 45.34581 7.286130 2.096275       9.931989 
1 1 1 11  11 53 o 37.22826 5.915660 74.48983       20.83635 66.70240       29.32983 82.42471       29.60621 33.48108 8.826060 37.72225 8.248624 -4.241173      12.08053 
1 1 1 11  11 54 o 46.43289 4.981386 112.4937       22.28676 133.4168       31.87703 92.48684       31.17131 49.39188 6.771582 40.00271 8.235410 9.389168       10.66191 
1 1 1 11  11 55 o 14.86711 6.570880 -2.038610      18.80128 11.36484       27.74072 -13.42631      25.56981 19.94848 8.383643 15.52925 7.174916 4.419231       11.03471 
1 1 1 11  11 56 o 44.71933 5.049842 104.8810       21.71824 106.7319       31.19704 103.1404       30.25315 43.38634 7.624168 42.72164 7.508547 0.6646996      10.70076 
1 1 1 11  11 57 o 40.32839 5.599252 87.19919       21.50736 80.68856       30.82265 93.37722       30.02504 36.60056 8.726905 40.11664 7.927525 -3.516075      11.79002 
1 1 1 11  11 58 o 20.88470 7.784538 22.48908       21.31879 24.06098       29.57974 20.79000       30.75312 22.35072 8.936346 21.89402 8.980181 0.4567051      12.66894 
1 1 1 11  12 0  o 165.6563 4.232812 1345.323       68.57838 1206.000       113.9295 1424.486       85.87933 156.5484 7.456441 170.3956 5.154941 -13.84721      9.064874 
1 1 1 11  12 1  o 416.8091 7.888810 8533.546       321.8510 8858.649       468.2549 8242.410       443.1168 423.7194 11.30019 408.7683 11.08500 14.95108       15.82945 
1 1 1 11  12 2  o 186.3004 3.976736 1700.244       72.51815 1662.232       102.7587 1737.958       102.3548 184.0263 5.711607 188.1892 5.562684 -4.162857      7.972824 
1 1 1 11  12 3  o 403.5454 7.654413 7998.315       302.3504 8483.259       446.2534 7586.796       411.0845 414.6756 11.00401 392.2187 10.71776 22.45691       15.36094 
1 1 1 11  12 4  o 193.7410 5.850230 1842.621       110.8161 1685.000       151.3055 2025.000       162.7555 184.9597 8.379165 202.8215 8.215143 -17.86179      11.73452 
1 1 1 11  12 5  o 176.4433 4.405299 1525.554       76.08283 1547.000       135.5019 1515.680       91.94476 177.2705 7.828435 175.7383 5.351315 1.532181       9.482667 
1 1 1 11  12 6  o 240.6236 4.842876 2838.126       114.0638 2684.060       157.1048 3009.870       165.8734 233.7162 6.874904 247.5096 6.853252 -13.79343      9.707284 
1 1 1 11  12 7  o 64.77332 3.378969 206.0582       21.34923 134.8486       34.21952 251.4403       27.31787 51.95514 6.899192 71.53200 3.916521 -19.57686      7.933346 
1 1 1 11  12 8  o 59.13666 4.231699 172.2515       24.33312 159.0155       32.64473 188.8000       36.50188 56.61484 5.981143 61.72587 6.122038 -5.111034      8.558822 
1 1 1 11  12 9  o 111.4040 3.578856 608.6212       38.97511 479.0000       69.54552 667.9734       47.05975 98.46828 7.266698 116.6783 4.127033 -18.20998      8.356872 
1 1 1 11  12 10 o 218.2198 4.489976 2334.305       95.90572 2332.914       137.4566 2335.625       133.8766 217.8754 6.452527 218.0259 6.279761 -0.1505127     9.003917 
1 1 1 11  12 11 f 81.41041 3.073904 325.0803       24.45094 288.1081       38.88998 349.2485       31.44286 76.46228 5.227628 84.33850 3.818722 -7.876221      6.473850 
1 1 1 11  12 12 f 77.96900 3.119500 298.2464       23.75941 262.6128       38.81373 319.6006       30.04667 72.95473 5.475273 80.66986 3.816030 -7.715126      6.673882 
1 1 1 11  12 13 o 124.4306 3.747566 759.4083       45.59187 753.3000       89.11289 761.5740       53.06241 123.5392 7.403320 124.5604 4.358836 -1.021240      8.591193 
1 1 1 11  12 14 o 197.6793 4.837992 1916.796       93.61223 1909.000       167.2040 1920.355       112.9789 196.5939 8.710639 197.6752 5.845428 -1.081299      10.49020 
1 1 1 11  12 15 o 202.0578 4.885031 2002.940       96.61602 0.000000       0.000000 2002.940       96.61602 ?        ?        202.0578 4.885031 ?              ?        
1 1 1 11  12 16 o 76.27425 3.919433 285.9412       29.16410 0.000000       0.000000 285.9412       29.16410 ?        ?        76.27425 3.919433 ?              ?        
1 1 1 11  12 17 o 220.4813 5.201983 2386.250       112.2657 2259.000       188.2420 2456.495       139.8610 213.6995 9.019540 223.4416 6.401391 -9.742111      11.06028 
1 1 1 11  12 18 o 31.51987 5.388830 50.14656       16.02895 27.74000       34.09973 56.50165       18.16036 26.71212 9.866034 33.44547 5.754804 -6.733347      11.42175 
1 1 1 11  12 19 o 137.0272 3.898214 921.3627       52.23204 955.9000       89.96512 903.8016       64.15117 139.2345 6.620133 135.6171 4.840394 3.617386       8.200950 
1 1 1 11  12 20 o 115.6168 3.714782 656.0268       41.98521 736.4000       72.79023 615.9554       51.39657 122.2264 6.103490 111.9310 4.701600 10.29535       7.704391 
1 1 1 11  12 21 o 145.5966 3.453704 1039.152       49.22009 1046.000       95.84534 1036.700       57.36155 145.5927 6.743827 145.3262 4.036376 0.2665558      7.859487 
1 1 1 11  12 22 o 66.74480 3.157560 218.8321       20.57037 208.4000       38.29266 223.0636       24.38802 64.79505 6.109773 67.34151 3.714264 -2.546455      7.150181 
1 1 1 11  12 23 o 187.5757 4.028968 1726.319       73.97359 1803.000       148.4191 1700.974       85.32710 190.8408 7.962835 186.0526 4.689119 4.788223       9.240918 
1 1 1 11  12 24 o 115.9093 3.169231 659.1594       35.92285 660.6000       67.96027 658.6008       42.31795 115.6634 6.023542 115.8041 3.738211 -0.1406937     7.089237 
1 1 1 11  12 25 o 135.3011 3.329568 897.8317       44.09561 914.0000       84.33671 891.7488       51.72970 135.9912 6.353335 134.7298 3.926754 1.261383       7.468886 
1 1 1 11  12 26 o 128.2572 3.278898 807.4568       41.13007 804.4000       76.96422 808.6787       48.66148 127.5359 6.183672 128.2788 3.879928 -0.7429199     7.300113 
1 1 1 11  12 27 o 196.5701 4.187743 1899.240       80.57561 1967.000       159.6427 1876.078       93.33656 198.6684 8.227254 195.1555 4.889979 3.512878       9.570768 
1 1 1 11  12 28 o 92.61747 3.043511 421.3585       27.55395 357.6000       46.35729 456.1890       34.26330 84.92603 5.608008 96.29929 3.641523 -11.37326      6.686587 
1 1 1 11  12 29 o 215.9541 4.495056 2297.437       95.01732 2310.000       186.0727 2293.005       110.5121 214.3481 8.887917 215.4937 5.239250 -1.145569      10.31721 
1 1 1 11  12 30 o 76.56341 3.013633 288.3137       22.54077 292.8940       29.74574 282.1363       34.54482 77.03347 3.958199 75.47056 4.699586 1.562912       6.144383 
1 1 1 11  12 31 o 102.6731 3.083551 518.4937       30.95433 541.2784       42.24821 492.0866       45.48259 104.7031 4.130433 99.70020 4.673620 5.002884       6.237243 
1 1 1 11  12 32 o 58.24108 3.315708 167.4226       18.82409 177.2213       24.56464 153.4825       29.29942 59.77305 4.225785 55.34197 5.480672 4.431076       6.920623 
1 1 1 11  12 33 f 84.14301 3.085496 348.7857       25.36957 358.6315       33.86730 336.1970       38.29537 85.11848 4.076757 82.23237 4.778285 2.886116       6.281079 
1 1 1 11  12 34 o 30.32571 5.226603 47.00667       14.95444 32.65863       18.61051 73.15427       25.12337 25.11397 7.199274 37.51056 7.102543 -12.39659      10.11314 
1 1 1 11  12 35 o 16.52711 6.435527 8.831392       14.97971 20.81903       17.57094 -23.06000      28.65926 20.97811 7.146605 16.20070 7.523576 4.777409       10.37681 
1 1 1 11  12 36 o 79.61046 3.161112 312.9532       24.58396 281.4496       31.96358 358.5796       38.46658 75.18571 4.361970 84.79920 4.652137 -9.613495      6.377238 
1 1 1 11  12 37 o 60.28260 4.052285 180.9511       23.77212 185.1062       26.74212 165.3000       51.90132 60.84745 4.522342 55.31779 9.951182 5.529659       10.93058 
1 1 1 11  12 38 o 45.84329 4.775881 105.9142       21.11680 101.8681       23.33641 124.2000       49.61031 44.75948 5.437945 47.20895 10.94887 -2.449471      12.22493 
1 1 1 11  12 39 o 46.58425 5.590115 110.6876       24.98123 110.6876       24.98123 0.000000       0.000000 46.58425 5.590115 ?        ?        ?              ?        
1 1 1 11  12 40 o 96.86636 3.284977 464.8671       31.10160 489.6819       42.74660 436.9548       45.33615 98.93619 4.425280 93.17216 4.989291 5.764023       6.669043 
1 1 1 11  12 41 o 42.60647 4.497969 91.86865       18.47571 100.4159       24.67413 80.96011       27.87486 44.08310 5.863530 38.82111 7.607807 5.261986       9.605192 
1 1 1 11  12 42 o 34.48761 5.367481 61.67048       17.52993 29.10956       22.87741 107.9777       27.28240 23.89863 8.154387 45.43323 6.304491 -21.53460      10.30731 
1 1 1 11  12 43 f 51.37014 3.982326 132.8020       19.86786 122.2076       26.30787 146.8649       30.31004 48.60345 5.634083 53.18887 5.922146 -4.585426      8.174026 
1 1 1 11  12 44 o 52.15686 3.980589 137.0953       20.16841 150.5485       27.23653 120.7632       30.00955 54.13330 5.204260 47.75147 6.596477 6.381836       8.402251 
1 1 1 11  12 45 o 23.47287 8.495524 27.34038       25.09174 0.000000       0.000000 27.34038       25.09174 ?        ?        23.47287 8.495524 ?              ?        
1 1 1 11  12 46 o 57.48339 4.342595 167.7000       24.25347 156.5000       36.68153 176.3995       32.32856 53.95118 7.119697 58.20325 5.749595 -4.252071      9.151389 
1 1 1 11  12 47 o 14.44243 6.437543 -4.597570      18.43213 10.63000       27.44766 -17.10504      24.87566 20.15414 8.395218 15.06127 6.999528 5.092876       10.93037 
1 1 1 11  12 48 f 38.17228 6.495707 78.53629       23.40211 51.55000       32.13724 109.0000       34.14510 29.72890 9.652639 44.00755 8.229207 -14.27865      12.68437 
1 1 1 11  12 49 o 53.71240 5.177342 149.9793       26.88309 144.9000       48.02504 152.2972       32.44217 48.80973 10.37220 53.38027 6.332229 -4.570541      12.15235 
1 1 1 11  12 50 o 30.99184 9.758873 58.17267       33.04063 54.21000       41.52569 65.01000       54.54644 29.96436 10.91686 32.05356 12.33478 -2.089207      16.47193 
1 1 1 11  12 51 o 19.83326 7.192627 19.27925       17.99736 17.44818       24.77904 21.32372       26.18318 20.66822 8.206884 21.78686 8.501259 -1.118639      11.81628 
1 1 1 11  12 52 o 14.58107 6.476958 -3.182149      18.49494 7.096735       26.11994 -13.51766      26.19180 18.87065 8.041707 15.77613 7.279243 3.094519       10.84696 
1 1 1 11  12 53 o 29.04465 7.042359 47.49165       19.81170 58.20744       28.06368 36.84539       27.97249 31.26037 8.800688 25.54511 9.000371 5.715254       12.58804 
1 1 1 11  12 54 o 18.05122 7.230792 11.82009       19.40335 -9.979156      27.69489 32.83632       27.19295 16.68089 7.617924 24.48469 8.846492 -7.803804      11.67447 
1 1 1 11  12 55 o 45.31586 4.979250 107.4584       21.72274 82.80179       30.47223 132.9357       30.97514 37.47869 8.502360 49.34061 6.577288 -11.86193      10.74946 
1 1 1 11  12 56 o 21.10844 7.538221 23.38687       19.68013 20.34097       28.21538 26.27262       27.46366 21.65557 8.704012 22.80130 8.758059 -1.145729      12.34761 
1 1 1 11  12 57 o 25.05188 7.923450 36.57787       21.75868 25.08141       29.50220 50.29000       32.21994 22.66391 8.969105 28.41141 9.677557 -5.747501      13.19469 
1 1 1 11  12 58 f 29.52796 7.292632 50.63860       20.95142 63.49741       30.77985 39.53687       28.59970 31.70601 9.308955 25.69482 9.096432 6.011189       13.01544 
1 1 1 11  13 0  o 259.0709 5.934318 3292.597       150.4858 3004.000       247.0434 3462.864       189.7541 246.6717 10.25406 265.4236 7.310705 -18.75189      12.59334 
1 1 1 11  13 1  o 363.1628 6.945905 6475.772       246.9087 6796.760       361.4420 6194.922       338.0897 371.2890 9.954337 354.5103 9.752357 16.77872       13.93547 
1 1 1 11  13 2  o 211.5076 6.205289 2197.047       128.3288 2128.000       180.2614 2268.000       182.7326 207.7737 8.884017 214.5390 8.719861 -6.765274      12.44836 
1 1 1 11  13 3  o 312.3434 8.604177 4802.805       262.8052 4626.000       364.1460 4995.000       379.6649 305.6302 12.19680 317.5920 12.23595 -11.96182      17.27659 
1 1 1 11  13 4  o 217.1477 4.467622 2311.022       94.95939 2190.523       131.5386 2442.171       137.2277 211.1605 6.371346 222.9803 6.293669 -11.81973      8.955687 
1 1 1 11  13 5  o 218.2374 4.495234 2334.407       96.02577 2157.016       131.0230 2540.259       141.1429 209.5266 6.396037 227.4019 6.347223 -17.87529      9.010912 
1 1 1 11  13 6  o 247.6151 5.772118 3008.312       139.9002 2806.652       164.3881 3538.000       266.4224 238.9236 7.036855 267.6317 10.18875 -28.70813      12.38256 
1 1 1 11  13 7  f 187.7033 4.038436 1726.521       74.19787 1707.337       106.1081 1744.878       103.7935 186.4399 5.821512 188.5021 5.631641 -2.062164      8.099715 
1 1 1 11  13 8  o 241.1045 4.867087 2850.438       114.8631 2839.275       163.7330 2861.254       161.1791 240.2930 6.968639 241.2440 6.832562 -0.9509735     9.759398 
1 1 1 11  13 9  o 93.72479 3.089894 430.7239       28.30807 386.2397       43.26338 464.0274       37.43372 88.60370 5.008811 97.22983 3.941471 -8.626129      6.373647 
1 1 1 11  13 10 o 189.9496 4.070019 1768.355       75.67300 1670.129       105.6229 1871.947       108.4694 184.3661 5.860340 195.2207 5.682474 -10.85460      8.162971 
1 1 1 11  13 11 o 147.3062 3.492834 1063.145       50.36224 1044.920       73.56268 1079.222       69.09317 145.8533 5.160834 148.2699 4.766953 -2.416504      7.025528 
1 1 1 11  13 12 o 106.9571 3.127421 560.8760       32.70660 525.0181       49.25668 589.1532       43.74121 103.3425 4.883263 109.5552 4.086140 -6.212669      6.367322 
1 1 1 11  13 13 o 136.5804 3.397323 914.0065       45.41837 891.8953       67.25605 932.5435       61.58103 134.7252 5.109331 137.8194 4.571214 -3.094223      6.855746 
1 1 1 11  13 14 o 130.1304 3.793543 830.7028       48.26875 0.000000       0.000000 830.7028       48.26875 ?        ?        130.1304 3.793543 ?              ?        
1 1 1 11  13 15 o 108.5121 4.132394 578.1693       43.81185 0.000000       0.000000 578.1693       43.81185 ?        ?        108.5121 4.132394 ?              ?        
1 1 1 11  13 16 o 232.8618 5.484818 2662.775       125.0163 0.000000       0.000000 2662.775       125.0163 ?        ?        232.8618 5.484818 ?              ?        
1 1 1 11  13 17 o 190.5699 4.721103 1782.021       88.06512 0.000000       0.000000 1782.021       88.06512 ?        ?        190.5699 4.721103 ?              ?        
1 1 1 11  13 18 o 270.5437 7.624274 3610.262       201.7014 0.000000       0.000000 3610.262       201.7014 ?        ?        270.5437 7.624274 ?              ?        
1 1 1 11  13 19 o 89.64767 3.703164 394.6857       32.42516 417.4000       57.04041 383.8413       39.41257 91.89348 6.381134 88.32449 4.574353 3.568993       7.851342 
1 1 1 11  13 20 o 115.1434 3.173799 650.2463       35.73635 611.4000       68.97610 664.4996       41.78119 111.2853 6.358665 116.3578 3.673019 -5.072533      7.343275 
1 1 1 11  13 21 o 40.71127 4.816401 82.51688       18.82175 0.000000       0.000000 82.51688       18.82175 ?        ?        40.71127 4.816401 ?              ?        
1 1 1 11  13 22 o 156.3134 3.599304 1198.227       55.07073 1152.000       105.7172 1215.443       64.51566 152.6674 7.093856 157.3206 4.193345 -4.653290      8.240566 
1 1 1 11  13 23 f 97.33884 3.105998 464.9519       29.55543 554.4000       58.98512 434.9659       34.15197 105.9849 5.706854 94.08900 3.715570 11.89592       6.809820 
1 1 1 11  13 24 o 54.46768 4.198446 146.5334       22.21116 0.000000       0.000000 146.5334       22.21116 ?        ?        54.46768 4.198446 ?              ?        
1 1 1 11  13 25 o 155.6029 3.598198 1188.209       54.80359 1375.000       114.0337 1132.109       62.49377 166.6139 7.007882 151.7513 4.211320 14.86261       8.175917 
1 1 1 11  13 26 o 74.00243 3.072546 269.0861       22.20776 289.5000       40.32780 260.2013       26.60518 76.45364 5.424121 72.69676 3.751599 3.756874       6.595118 
1 1 1 11  13 27 o 152.5924 3.571758 1143.554       53.34835 1190.000       103.8330 1126.896       62.18365 154.7881 6.870293 151.3183 4.202420 3.469849       8.053649 
1 1 1 11  13 28 o 132.5063 3.347845 862.8777       43.38707 810.3000       78.86690 885.6957       51.95566 127.7209 6.328214 134.1376 3.961431 -6.416733      7.465871 
1 1 1 11  13 29 o 94.95291 3.071582 443.2247       28.51050 426.3000       50.39114 451.1934       34.57689 92.64559 5.582682 95.70872 3.697822 -3.063133      6.696284 
1 1 1 11  13 30 o 72.65243 3.099158 259.8235       21.98878 258.1304       28.68180 262.2373       34.24670 72.26450 4.071320 72.69170 4.840713 -0.4272079     6.325200 
1 1 1 11  13 31 o 84.79108 3.055249 353.8617       25.31585 382.0399       34.35280 320.3705       37.45162 87.93258 4.001712 80.33850 4.784230 7.594078       6.237192 
1 1 1 11  13 32 o 88.11838 3.034288 382.3218       26.13251 401.7683       35.25604 358.6105       38.93045 90.13528 4.006073 84.97903 4.698564 5.156250       6.174555 
1 1 1 11  13 33 o 134.0723 3.379414 886.3640       44.31393 913.3721       61.40389 857.0088       64.01645 135.6583 4.631061 131.2531 4.991926 4.405212       6.809262 
1 1 1 11  13 34 o 56.71976 5.196851 161.5022       28.53200 131.9000       41.51532 188.0000       39.27823 50.02921 8.798789 60.74963 6.717530 -10.72041      11.06995 
1 1 1 11  13 35 o 111.2178 3.219749 610.3864       35.01428 645.1238       48.38283 572.1875       50.73631 113.9604 4.345376 107.1193 4.851475 6.841156       6.512995 
1 1 1 11  13 36 o 51.75864 4.298835 133.8656       21.58270 146.1341       24.28340 87.73000       47.09027 54.00509 4.638657 39.74892 11.46967 14.25617       12.37216 
1 1 1 11  13 37 o 18.77652 6.668752 15.77725       15.38199 23.33333       19.38019 2.914033       25.28626 22.02143 7.505459 18.72934 7.944282 3.292088       10.92902 
1 1 1 11  13 38 o 34.28941 5.107571 60.08027       16.62041 61.59820       21.28061 57.70628       26.61327 34.29559 6.578516 32.72432 8.297975 1.571262       10.58930 
1 1 1 11  13 39 o 19.15458 6.714398 16.97246       15.55387 15.47773       19.82291 19.36684       25.08887 19.76287 7.476651 22.02441 8.392808 -2.261536      11.24009 
1 1 1 11  13 40 o 27.20954 6.691658 39.45058       17.69633 23.24020       21.10766 77.80000       32.46556 22.12039 7.816179 37.56299 8.956523 -15.44259      11.88747 
1 1 1 11  13 41 o 20.77338 6.845497 21.75257       16.13573 14.38675       20.93552 32.53060       25.32460 19.62297 7.617298 25.17998 8.579696 -5.557014      11.47320 
1 1 1 11  13 42 o 48.33513 4.106307 117.8186       19.24394 111.8999       25.23461 126.0446       29.74935 46.48851 5.662213 49.04811 6.345068 -2.559601      8.504148 
1 1 1 11  13 43 o 36.15998 5.295783 67.85908       18.18860 68.88539       24.37988 66.57079       27.31469 35.62671 7.238352 34.58889 8.194398 1.037815       10.93352 
1 1 1 11  13 44 o 32.87061 8.144848 60.44873       26.07092 0.000000       0.000000 60.44873       26.07092 ?        ?        32.87061 8.144848 ?              ?        
1 1 1 11  13 45 o 53.10736 3.976368 142.3544       20.52027 119.1357       27.43402 171.8434       30.91731 47.62931 6.018634 57.58347 5.554103 -9.954155      8.189751 
1 1 1 11  13 46 o 34.12370 5.792228 61.69293       18.65574 45.42538       24.80503 82.87775       28.30681 28.35780 8.364990 38.64168 7.753776 -10.28388      11.40588 
1 1 1 11  13 47 o 19.57379 7.358313 17.09229       19.13196 28.12308       24.67447 0.4627000      30.29600 23.42939 8.431884 19.15409 8.407914 4.275299       11.90755 
1 1 1 11  13 48 o 35.59933 6.698835 69.10665       22.48609 73.05000       35.87986 66.55612       28.85582 34.71529 10.01011 33.85909 8.670004 0.8562012      13.24278 
1 1 1 11  13 49 o 37.42852 8.583122 81.50340       30.77376 81.57000       37.24081 81.36000       54.64440 36.37997 10.10042 34.82125 12.54588 1.558716       16.10645 
1 1 1 11  13 50 o 26.69739 7.726919 40.66090       21.34197 65.55000       35.20701 26.20210       26.83432 32.56938 10.04576 22.96125 8.696184 9.608133       13.28687 
1 1 1 11  13 51 o 38.77007 7.886672 85.53442       28.90933 0.000000       0.000000 85.53442       28.90933 ?        ?        38.77007 7.886672 ?              ?        
1 1 1 11  13 52 o 27.68633 8.156185 44.45153       23.59506 52.13000       44.60652 41.46844       27.80316 29.44489 11.19797 26.73680 8.990503 2.708080       14.36049 
1 1 1 11  13 53 o 63.17567 4.793437 206.5687       29.42048 177.1000       52.02708 220.4219       35.67159 53.62140 10.28661 64.55653 5.703773 -10.93512      11.76212 
1 1 1 11  13 54 o 20.46585 7.542127 20.76346       19.90851 36.31639       28.94042 6.791572       27.43002 25.37729 9.131880 19.07301 8.186986 6.304281       12.26450 
1 1 1 11  13 55 o 39.92352 5.706268 85.32932       21.66552 76.11463       31.61017 93.49327       29.75340 35.46069 9.071327 40.41522 7.803756 -4.954536      11.96610 
1 1 1 11  13 56 f 20.03390 7.557583 19.38816       20.22121 15.25638       29.71364 22.95244       27.59768 20.91390 8.725090 22.04791 8.690518 -1.134012      12.31472 
1 1 1 11  13 57 o 15.66930 6.834195 1.216624       19.73507 13.81526       30.03624 -8.353894      26.17891 20.56901 8.688354 16.21298 7.405097 4.356035       11.41591 
1 1 1 11  13 58 o 22.66786 8.669581 27.65710       26.83402 41.43800       31.15554 -11.94000      52.81145 26.02592 9.459858 21.49421 10.05833 4.531710       13.80793 
1 1 1 11  14 0  o 249.5877 7.066367 3062.847       172.4599 3017.000       243.4911 3109.000       244.3013 247.1214 10.08742 250.8945 9.967669 -3.773056      14.18135 
1 1 1 11  14 1  o 272.8710 6.214698 3654.944       165.9907 3313.000       271.5626 3858.904       209.7316 258.8148 10.74286 280.0630 7.657902 -21.24817      13.19289 
1 1 1 11  14 2  o 145.9555 3.450632 1043.563       49.29755 1023.932       71.35120 1061.494       68.19067 144.4117 5.055487 147.0676 4.743185 -2.655899      6.932225 
1 1 1 11  14 3  o 105.3903 4.416535 545.3834       45.45953 484.2000       66.51909 599.0000       62.27001 99.04258 6.904726 110.3349 5.786025 -11.29232      9.008513 
1 1 1 11  14 4  o 129.8696 3.751864 827.0661       47.64367 922.8000       92.38022 792.3755       55.60987 136.8801 6.917396 127.0608 4.478305 9.819313       8.240484 
1 1 1 11  14 5  o 156.9875 4.233289 1208.794       64.99091 1145.375       79.05662 1341.000       114.1451 152.7153 5.296726 165.0439 7.082120 -12.32864      8.843740 
1 1 1 11  14 6  o 38.36419 6.782701 74.43768       24.53887 15.48000       43.58467 101.8000       29.69204 26.73364 10.79221 44.99531 6.966618 -18.26167      12.84545 
1 1 1 11  14 7  o 101.0303 3.141238 500.4524       31.02635 457.3447       47.33062 532.9340       41.08501 96.43398 5.031655 104.2014 4.035761 -7.767441      6.450188 
1 1 1 11  14 8  o 91.82793 3.148231 413.5334       28.25562 355.1960       43.76509 455.2300       37.00031 84.92411 5.291192 96.29937 3.933606 -11.37526      6.593175 
1 1 1 11  14 9  o 193.3204 4.124478 1831.906       78.04640 1867.057       113.9504 1800.845       107.1150 194.9098 5.979848 191.4531 5.722281 3.456665       8.276659 
1 1 1 11  14 10 o 191.9856 4.112586 1806.808       77.28404 1785.518       110.7753 1826.998       107.8747 190.5927 5.945137 192.8264 5.721736 -2.233704      8.251237 
1 1 1 11  14 11 o 18.12209 6.394803 14.04566       14.12508 -30.14091      30.12157 26.50134       15.99249 16.23433 7.596727 23.00443 6.697798 -6.770096      10.12772 
1 1 1 11  14 12 o 55.21020 3.759997 150.0866       20.19824 89.50000       45.39520 165.0419       22.55378 41.75393 10.96774 57.88576 4.005230 -16.13183      11.67618 
1 1 1 11  14 13 o 203.9646 4.900297 2041.268       97.83253 1928.000       166.0514 2101.490       121.0785 197.5147 8.609571 206.7349 5.989700 -9.220276      10.48815 
1 1 1 11  14 14 o 217.7269 6.301378 2332.188       134.1519 0.000000       0.000000 2332.188       134.1519 ?        ?        217.7269 6.301378 ?              ?        
1 1 1 11  14 15 o 159.8500 4.195301 1253.932       65.58530 0.000000       0.000000 1253.932       65.58530 ?        ?        159.8500 4.195301 ?              ?        
1 1 1 11  14 16 o 232.3317 5.464082 2651.135       124.2601 0.000000       0.000000 2651.135       124.2601 ?        ?        232.3317 5.464082 ?              ?        
1 1 1 11  14 17 o 101.1096 4.316061 502.3893       42.61729 0.000000       0.000000 502.3893       42.61729 ?        ?        101.1096 4.316061 ?              ?        
1 1 1 11  14 18 o 90.78360 4.402363 405.3168       39.00343 0.000000       0.000000 405.3168       39.00343 ?        ?        90.78360 4.402363 ?              ?        
1 1 1 11  14 19 o 203.2362 4.947491 2028.369       98.42201 0.000000       0.000000 2028.369       98.42201 ?        ?        203.2362 4.947491 ?              ?        
1 1 1 11  14 20 o 156.4572 4.180665 1201.992       63.96727 0.000000       0.000000 1201.992       63.96727 ?        ?        156.4572 4.180665 ?              ?        
1 1 1 11  14 21 o 104.8301 3.622868 539.5770       37.11861 0.000000       0.000000 539.5770       37.11861 ?        ?        104.8301 3.622868 ?              ?        
1 1 1 11  14 22 o 226.9371 4.653719 2529.946       103.3741 2564.000       206.4141 2518.546       119.4307 227.0095 9.309184 226.2806 5.392155 0.7288208      10.75808 
1 1 1 11  14 23 o 195.7010 4.176346 1880.573       80.00108 2172.000       171.4977 1799.518       90.44482 209.1163 8.395527 191.2702 4.834799 17.84607       9.688145 
1 1 1 11  14 24 o 145.5647 4.072005 1041.432       57.96205 0.000000       0.000000 1041.432       57.96205 ?        ?        145.5647 4.072005 ?              ?        
1 1 1 11  14 25 o 129.7068 3.299273 826.0348       41.85377 885.1000       82.65895 805.6704       48.53555 133.7007 6.334124 128.0183 3.877777 5.682465       7.426861 
1 1 1 11  14 26 o 117.5887 3.173885 679.0502       36.49770 651.7000       67.74718 690.2341       43.32195 114.6721 6.057177 118.4750 3.740414 -3.802856      7.118995 
1 1 1 11  14 27 o 84.41241 3.058267 350.1867       25.22723 325.5000       44.68390 361.7368       30.56421 80.96017 5.674562 85.72003 3.651072 -4.759857      6.747664 
1 1 1 11  14 28 o 166.3834 3.775249 1361.675       61.48396 1356.000       117.5741 1363.810       72.13287 164.7558 7.308817 166.2981 4.435348 -1.542267      8.549334 
1 1 1 11  14 29 o 105.8601 3.182492 551.1920       32.93915 577.0000       60.78849 540.4645       39.19155 107.7038 5.787378 104.7071 3.830385 2.996704       6.940144 
1 1 1 11  14 30 o 39.22248 4.304942 76.81878       16.25625 90.53505       20.88053 55.71169       25.90227 42.45794 5.128067 32.62093 8.139076 9.837013       9.619856 
1 1 1 11  14 31 o 41.34729 4.122128 85.20969       16.46096 73.08662       20.87117 105.1615       26.77511 37.90491 5.810253 45.52521 6.167040 -7.620304      8.472981 
1 1 1 11  14 32 o 99.79733 3.478429 491.4601       33.92686 479.8599       40.29697 519.7000       62.87400 98.42850 4.192191 101.6730 6.349398 -3.244492      7.608503 
1 1 1 11  14 33 o 77.83416 3.481819 299.3846       26.45952 280.1510       31.13412 349.4000       50.20636 75.10765 4.252301 83.25677 6.205369 -8.149117      7.522544 
1 1 1 11  14 34 o 30.33964 5.713379 47.48367       16.34483 53.27989       20.83438 38.20681       26.35780 31.90129 6.875047 27.34844 8.729113 4.552853       11.11142 
1 1 1 11  14 35 o 136.7548 3.963202 926.9592       52.99522 918.5145       62.73490 948.0000       99.02623 135.7694 4.727856 136.1514 7.459061 -0.3819733     8.831206 
1 1 1 11  14 36 o 71.08984 3.298419 250.0419       22.88939 242.7471       29.53421 261.0135       36.22049 69.76536 4.346524 72.07906 5.168101 -2.313698      6.752892 
1 1 1 11  14 37 o 23.44370 6.644584 28.70982       15.94227 30.48456       19.89559 25.52613       26.64739 24.31774 7.560349 23.90475 8.739570 0.4129963      11.55591 
1 1 1 11  14 38 o 23.83691 6.649802 29.84292       16.10002 14.25469       20.27531 56.44748       26.48788 19.57828 7.523814 32.32183 8.322500 -12.74355      11.21926 
1 1 1 11  14 39 o 41.54582 4.563699 87.30309       18.25363 69.90419       23.39559 114.3729       29.18205 36.39129 6.818438 46.90435 6.533250 -10.51307      9.443223 
1 1 1 11  14 40 o 45.02953 4.364642 102.3690       18.99669 98.06885       25.11387 108.1201       29.04323 43.45771 6.069230 45.37683 6.743623 -1.919117      9.072596 
1 1 1 11  14 41 o 52.79242 4.314723 140.6656       22.10188 122.3829       26.96424 178.1000       38.58360 48.63410 5.776969 58.15928 6.912708 -9.525181      9.008823 
1 1 1 11  14 42 o 35.17385 5.445736 64.40709       18.14380 69.31263       24.62627 58.58254       26.83408 35.75087 7.284839 32.39259 8.395158 3.358276       11.11519 
1 1 1 11  14 43 o 31.02628 8.488714 54.16631       26.52184 0.000000       0.000000 54.16631       26.52184 ?        ?        31.02628 8.488714 ?              ?        
1 1 1 11  14 44 o 47.59467 4.247468 114.9492       19.57995 123.5704       26.55243 104.6740       28.98807 48.70686 5.675613 44.13659 6.938590 4.570263       8.964185 
1 1 1 11  14 45 o 22.59603 7.106227 27.29689       17.52501 15.66788       23.44411 42.02498       26.38370 20.27798 8.004616 27.41900 8.731378 -7.141026      11.84529 
1 1 1 11  14 46 f 16.83563 6.909611 7.334905       18.22064 16.41027       23.79629 -5.526000      28.32780 20.46304 8.068586 17.74853 7.941088 2.714504       11.32091 
1 1 1 11  14 47 o 35.14429 5.831310 65.68399       19.35706 68.87747       27.08503 62.34999       27.67453 34.83742 8.097204 32.90007 8.525075 1.937355       11.75762 
1 1 1 11  14 48 o 28.03717 8.242233 45.09575       24.11682 37.04562       26.64695 81.55000       56.70481 25.76143 8.800343 34.97763 12.75494 -9.216204      15.49628 
1 1 1 11  14 49 o 18.98489 7.145346 16.30932       18.05216 27.17477       25.34149 5.115140       25.72198 23.04485 8.506306 18.47407 7.928911 4.570780       11.62862 
1 1 1 11  14 50 o 22.39644 7.819053 26.66827       21.07965 26.21000       34.03121 26.95356       26.85104 23.95697 9.582966 23.13777 8.713122 0.8192043      12.95190 
1 1 1 11  14 51 o 15.22735 6.871338 -6.426102      21.71956 25.56000       39.25396 -20.53948      26.07464 24.48281 10.10461 14.88896 6.999161 9.593852       12.29192 
1 1 1 11  14 52 o 48.88739 5.518822 126.3425       25.94777 108.7000       45.75507 134.7063       31.50347 40.82901 11.14102 49.70901 6.640629 -8.879997      12.96998 
1 1 1 11  14 53 o 15.45548 6.991741 -6.942019      22.65288 -35.11000      41.76262 4.800396       26.96426 17.97650 8.569151 18.64639 8.061361 -0.6698952     11.76503 
1 1 1 11  14 54 o 33.31282 8.832747 66.75094       29.26585 0.000000       0.000000 66.75094       29.26585 ?        ?        33.31282 8.832747 ?              ?        
1 1 1 11  14 55 o 23.54958 8.220158 30.85491       23.29722 43.32000       43.94848 25.98307       27.47531 27.52050 10.92907 22.75319 8.754665 4.767313       14.00317 
1 1 1 11  14 56 f 22.69066 8.555455 27.11930       25.90615 36.17000       44.25181 22.40000       31.95426 26.14816 10.75376 22.50303 9.182987 3.645126       14.14109 
1 1 1 11  14 57 o 18.97980 8.145492 8.502569       27.14344 3.607787       31.98499 21.10000       51.31219 19.31441 8.551814 24.56441 10.85612 -5.249994      13.81987 
1 1 1 11  15 0  o 361.8810 8.032111 6444.273       284.5127 6419.221       348.8942 6494.000       491.5567 360.5380 9.895720 361.0535 13.93516 -0.5154724     17.09134 
1 1 1 11  15 1  o 247.2923 4.963442 2999.202       120.1433 3022.136       172.5869 2977.639       167.3508 247.8612 7.121038 246.0572 6.955389 1.804062       9.954226 
1 1 1 11  15 2  o 110.6585 3.157998 600.3011       34.17107 609.5212       52.19418 593.3847       45.20602 111.3855 4.798516 109.9474 4.208310 1.438156       6.382447 
1 1 1 11  15 3  o 262.2228 6.044150 3375.881       155.1357 3285.787       187.7154 3570.000       275.5407 258.3871 7.429746 268.6052 10.50032 -10.21811      12.86304 
1 1 1 11  15 4  o 210.0169 5.043393 2163.472       103.6772 2135.000       182.0193 2177.146       126.1394 207.9431 8.963714 210.4797 6.129104 -2.536621      10.85882 
1 1 1 11  15 5  f 125.4676 3.753861 772.0980       46.04977 688.3000       82.93839 809.4442       55.36839 118.1004 7.208950 128.4174 4.411408 -10.31702      8.451596 
1 1 1 11  15 6  o 167.4911 3.792105 1374.777       62.16963 1238.180       86.22904 1522.648       89.71693 158.7360 5.558307 176.0892 5.210909 -17.35316      7.618947 
1 1 1 11  15 7  o 175.1387 3.882857 1503.349       66.56404 1450.250       95.14342 1554.257       93.15948 171.7871 5.666000 177.8849 5.356445 -6.097824      7.797119 
1 1 1 11  15 8  o 95.31478 3.216501 445.5835       29.96591 365.1748       46.06001 504.5941       39.45821 86.07896 5.495342 101.3824 3.983960 -15.30341      6.787541 
1 1 1 11  15 9  o 159.5741 3.673180 1247.932       57.37344 1215.388       82.96265 1277.762       79.42923 157.2643 5.397473 161.2957 5.037139 -4.031448      7.382783 
1 1 1 11  15 10 o 17.69464 6.480155 12.29792       14.65972 -6.758779      30.65301 17.94912       16.69244 19.42610 8.494123 20.12925 6.961973 -0.7031422     10.98268 
1 1 1 11  15 11 o 303.1910 6.822122 4521.460       202.4613 4390.000       344.6473 4590.731       250.1795 297.0251 11.87824 305.0037 8.387894 -7.978607      14.54130 
1 1 1 11  15 12 o 194.9577 4.742031 1864.821       90.49216 1906.000       161.3219 1845.915       109.3091 196.3999 8.411097 193.7664 5.769732 2.633469       10.19982 
1 1 1 11  15 13 o 190.6903 4.670724 1784.075       87.18041 1770.000       152.9079 1790.854       106.1182 189.2584 8.274073 190.8542 5.686779 -1.595810      10.03991 
1 1 1 11  15 14 o 134.3411 3.831034 885.5168       50.32542 762.4000       87.62327 946.1194       61.47608 124.2208 7.237760 138.7969 4.531090 -14.57608      8.539083 
1 1 1 11  15 15 o 72.30112 3.511863 256.8251       24.77923 0.000000       0.000000 256.8251       24.77923 ?        ?        72.30112 3.511863 ?              ?        
1 1 1 11  15 16 o 237.8056 6.827912 2786.298       158.7693 0.000000       0.000000 2786.298       158.7693 ?        ?        237.8056 6.827912 ?              ?        
1 1 1 11  15 17 o 59.55389 4.545766 175.0610       26.29839 0.000000       0.000000 175.0610       26.29839 ?        ?        59.55389 4.545766 ?              ?        
1 1 1 11  15 18 o 23.20325 6.639035 27.13306       15.84111 0.000000       0.000000 27.13306       15.84111 ?        ?        23.20325 6.639035 ?              ?        
1 1 1 11  15 19 o 138.7886 3.920589 945.6621       53.20789 0.000000       0.000000 945.6621       53.20789 ?        ?        138.7886 3.920589 ?              ?        
1 1 1 11  15 20 o 410.7598 9.091531 8366.385       365.5368 0.000000       0.000000 8366.385       365.5368 ?        ?        410.7598 9.091531 ?              ?        
1 1 1 11  15 21 o 21.82836 6.862989 23.22839       16.34687 0.000000       0.000000 23.22839       16.34687 ?        ?        21.82836 6.862989 ?              ?        
1 1 1 11  15 22 o 230.5518 5.463619 2616.291       123.2978 0.000000       0.000000 2616.291       123.2978 ?        ?        230.5518 5.463619 ?              ?        
1 1 1 11  15 23 o 95.83727 3.619173 451.3981       33.88980 0.000000       0.000000 451.3981       33.88980 ?        ?        95.83727 3.619173 ?              ?        
1 1 1 11  15 24 o 73.79913 3.697870 268.0805       26.62706 0.000000       0.000000 268.0805       26.62706 ?        ?        73.79913 3.697870 ?              ?        
1 1 1 11  15 25 o 79.81225 3.118161 313.0488       24.31296 340.2000       47.58854 303.4587       28.28271 82.77859 5.912168 78.51276 3.690555 4.265839       6.969500 
1 1 1 11  15 26 o 134.8346 3.363251 892.8477       44.38813 964.4000       88.30447 868.6549       51.34676 139.3354 6.492482 132.8502 3.953011 6.485214       7.601224 
1 1 1 11  15 27 o 145.9557 3.514151 1047.106       50.20510 1194.000       103.0001 1001.331       57.49796 154.7991 6.814412 142.5555 4.124954 12.24358       7.965642 
1 1 1 11  15 28 o 109.3422 3.203293 588.0276       34.24698 549.8000       61.86567 604.9180       41.12257 105.0600 6.041452 110.7928 3.797562 -5.732819      7.135868 
1 1 1 11  15 29 o 48.15198 3.985321 115.0530       18.61573 145.8000       32.30529 99.76754       22.77773 53.76585 6.255139 44.56105 5.327586 9.204800       8.216443 
1 1 1 11  15 30 o 52.06191 3.631020 134.1656       18.38756 122.3171       23.35378 153.4907       29.82534 49.46491 4.887199 55.30254 5.586281 -5.837631      7.422348 
1 1 1 11  15 31 f 55.22633 3.964804 151.3580       21.28995 164.3293       25.43481 121.0000       38.91116 57.43142 4.561981 48.08499 8.582079 9.346428       9.719246 
1 1 1 11  15 32 o 72.02744 3.576435 256.5829       25.13588 246.0262       29.78583 282.7000       46.84979 70.35059 4.346721 74.75881 6.465842 -4.408218      7.791091 
1 1 1 11  15 33 o 33.51775 5.336281 57.35717       16.92092 52.00346       21.61828 65.82450       27.18734 31.45183 7.180568 35.24057 8.057540 -3.788744      10.79280 
1 1 1 11  15 34 o 146.6539 4.097392 1066.633       58.75997 1059.867       69.85757 1083.000       108.6502 145.7748 4.902791 145.4198 7.660110 0.3549805      9.094760 
1 1 1 11  15 35 o 33.95506 5.352065 59.02312       17.19984 58.72241       21.70897 59.53019       28.18990 33.45037 6.860677 33.28249 8.593895 0.1678734      10.99654 
1 1 1 11  15 36 o 50.23692 4.049848 126.0193       19.74579 94.34392       25.10530 177.3969       31.97357 42.82222 6.167070 59.18072 5.585638 -16.35850      8.320583 
1 1 1 11  15 37 o 82.08604 3.298690 333.6219       26.45036 304.2259       34.46106 375.7704       41.26441 77.97780 4.534496 86.53967 4.891317 -8.561867      6.669830 
1 1 1 11  15 38 o 30.91700 6.234085 50.19515       18.21384 54.28719       23.67824 44.26496       28.50454 31.76623 7.696908 28.81350 9.063079 2.952732       11.89041 
1 1 1 11  15 39 o 32.04162 6.227336 54.05265       18.82715 65.62849       24.90429 38.61332       28.76155 34.92292 7.508822 27.20578 9.144114 7.717140       11.83204 
1 1 1 11  15 40 o 26.67578 7.062770 38.36443       18.72911 47.45284       25.37750 27.49261       27.75594 29.38476 8.401541 24.19905 8.907539 5.185705       12.24460 
1 1 1 11  15 41 o 41.33556 5.056921 87.80718       20.03491 97.31377       27.43896 76.95103       29.32197 42.78819 6.776989 37.26862 8.255549 5.519573       10.68090 
1 1 1 11  15 42 o 49.13199 8.038345 132.0000       37.32224 0.000000       0.000000 132.0000       37.32224 ?        ?        49.13199 8.038345 ?              ?        
1 1 1 11  15 43 o 34.08007 5.911961 61.44247       19.00676 52.81418       25.51888 72.19247       28.48415 30.64899 8.302408 35.88212 8.278414 -5.233126      11.72442 
1 1 1 11  15 44 o 53.19619 4.087763 143.1274       21.12184 183.0630       29.57406 101.5478       30.17664 59.67883 5.111915 43.16140 7.409596 16.51743       9.001878 
1 1 1 11  15 45 o 18.67341 7.298855 13.40757       19.32726 2.657011       24.84319 29.89000       30.76113 17.98993 7.757483 24.68281 9.319162 -6.692877      12.12540 
1 1 1 11  15 46 o 27.48834 7.019581 41.84619       18.95112 43.29000       26.54856 40.34615       27.06063 27.59406 8.755287 26.79973 8.866450 0.7943287      12.46070 
1 1 1 11  15 47 o 15.16290 6.946419 -11.35514      23.26677 -9.866256      25.80354 -17.83000      53.81023 16.24731 7.394154 22.33454 10.35038 -6.087225      12.72021 
1 1 1 11  15 48 o 20.46437 7.321225 21.04006       18.57187 31.82220       26.57503 10.74743       25.96477 24.33075 8.751313 19.57347 8.160252 4.757273       11.96558 
1 1 1 11  15 49 o 53.58888 4.294254 147.0769       22.33682 144.5677       31.16235 149.7284       32.03374 51.87429 6.263897 52.75287 6.330045 -0.8785820     8.905384 
1 1 1 11  15 50 o 46.47193 4.779622 111.9677       21.43192 114.6525       30.24404 109.2597       30.37500 45.65881 6.989251 44.38158 7.241570 1.277225       10.06429 
1 1 1 11  15 51 o 19.38981 7.389819 16.95527       19.45228 21.25320       27.97987 12.93458       27.06242 21.98368 8.723548 20.15126 8.360162 1.832418       12.08274 
1 1 1 11  15 52 o 28.65656 7.296024 46.70428       20.51591 34.98758       29.04678 58.36803       28.98108 25.11695 9.133424 31.15240 9.000602 -6.035446      12.82304 
1 1 1 11  15 53 o 41.88745 5.486160 93.15265       21.95345 101.7667       31.20960 84.71593       30.88667 42.21164 7.842137 37.92729 8.527509 4.284348       11.58523 
1 1 1 11  15 54 o 33.06933 7.734718 63.17225       24.58797 124.6000       47.17391 40.25946       28.81101 43.68528 11.03156 26.25989 9.142883 17.42539       14.32786 
1 1 1 11  15 55 o 24.41058 8.796124 33.63406       26.86228 88.83000       47.54579 7.755000       32.55613 35.67018 11.75061 20.25674 8.807140 15.41343       14.68477 
1 1 1 11  15 56 o 31.11328 10.26480 63.43484       36.27738 51.74000       49.26353 77.29000       53.62093 28.60571 11.49984 32.58621 12.30374 -3.980494      16.84126 
1 1 1 11  15 57 o 22.80444 8.294180 29.12986       23.95566 38.49000       53.92390 26.82834       26.73911 26.72513 11.47540 22.49492 8.641404 4.230211       14.36519 
1 1 1 11  16 0  o 148.0968 3.512460 1074.667       50.91705 1018.929       72.85450 1127.886       71.18952 144.0145 5.176675 151.5669 4.804568 -7.552383      7.062708 
1 1 1 11  16 1  o 144.8712 3.494360 1028.358       49.55141 998.3675       72.09457 1055.210       68.21851 142.5515 5.175426 146.6011 4.760308 -4.049622      7.031754 
1 1 1 11  16 2  o 55.62917 4.299582 152.6234       23.23024 142.7996       33.61874 161.6000       32.13640 53.51187 6.555110 57.07479 5.834362 -3.562920      8.775492 
1 1 1 11  16 3  o 106.8130 4.447055 560.4102       46.39293 520.7000       69.45531 592.4000       62.33908 102.6740 6.951956 109.6853 5.827295 -7.011292      9.071221 
1 1 1 11  16 4  o 80.35889 3.211937 316.8669       25.21339 292.0060       40.70400 332.3448       32.11694 76.94010 5.439853 82.24372 4.001572 -5.303619      6.753117 
1 1 1 11  16 5  f 255.2793 5.124590 3197.794       128.0504 2954.975       173.9744 3484.846       189.1581 244.9653 7.263644 266.0391 7.270773 -21.07378      10.27739 
1 1 1 11  16 6  o 162.3289 3.737945 1291.479       59.39296 1218.584       84.88391 1361.395       83.13215 157.4536 5.516175 166.4846 5.107434 -9.030991      7.517584 
1 1 1 11  16 7  o 55.59373 4.833971 152.7656       26.04362 108.2181       36.95951 196.7000       36.70428 46.13598 8.497280 62.99321 6.026116 -16.85722      10.41719 
1 1 1 11  16 8  o 225.5075 4.639690 2494.594       102.4132 2400.443       143.7304 2591.695       145.9638 220.8431 6.656635 229.5086 6.503965 -8.665558      9.306576 
1 1 1 11  16 9  o 41.80474 4.416171 86.66335       17.79800 43.36000       48.12966 93.52296       19.15588 32.43700 11.76240 43.42570 4.575273 -10.98870      12.62090 
1 1 1 11  16 10 o 67.42154 3.299814 223.2748       21.71067 178.2000       53.09689 232.3237       23.79031 59.33137 9.460241 68.75867 3.546799 -9.427307      10.10326 
1 1 1 11  16 11 o 158.6130 4.170567 1234.587       64.69389 1168.000       113.6271 1266.525       78.69407 153.7942 7.571342 160.5577 5.013454 -6.763550      9.080746 
1 1 1 11  16 12 o 171.7724 4.367561 1448.253       73.37467 1465.000       132.1396 1440.787       88.22652 172.2077 7.859964 171.2155 5.270688 0.9922180      9.463573 
1 1 1 11  16 13 o 52.72437 3.615714 136.9046       18.54705 103.9000       48.10429 142.6677       20.10121 44.86655 11.03198 53.80670 3.841905 -8.940144      11.68182 
1 1 1 11  16 14 o 199.8877 4.227566 1959.849       82.71471 1913.000       164.4483 1975.716       95.70179 196.6203 8.565210 200.6213 4.873454 -4.000977      9.854612 
1 1 1 11  16 15 o 191.0264 4.753443 1791.240       88.88081 1628.000       149.0195 1881.375       110.7329 181.3509 8.417900 195.5487 5.791544 -14.19783      10.21778 
1 1 1 11  16 16 o 316.9797 12.42684 5030.000       384.8185 0.000000       0.000000 5030.000       384.8185 ?        ?        316.9797 12.42684 ?              ?        
1 1 1 11  16 17 o 187.6062 4.662569 1728.080       85.62067 0.000000       0.000000 1728.080       85.62067 ?        ?        187.6062 4.662569 ?              ?        
1 1 1 11  16 18 o 206.7296 5.006717 2099.722       101.3123 0.000000       0.000000 2099.722       101.3123 ?        ?        206.7296 5.006717 ?              ?        
1 1 1 11  16 19 o 141.9292 4.772207 990.6857       66.20322 0.000000       0.000000 990.6857       66.20322 ?        ?        141.9292 4.772207 ?              ?        
1 1 1 11  16 20 o 67.72797 3.646038 225.6839       24.08194 0.000000       0.000000 225.6839       24.08194 ?        ?        67.72797 3.646038 ?              ?        
1 1 1 11  16 21 o 139.9644 3.963445 962.4800       54.24491 0.000000       0.000000 962.4800       54.24491 ?        ?        139.9644 3.963445 ?              ?        
1 1 1 11  16 22 o 41.60312 4.775375 86.22737       19.09428 0.000000       0.000000 86.22737       19.09428 ?        ?        41.60312 4.775375 ?              ?        
1 1 1 11  16 23 o 33.70065 5.685789 57.52268       18.08906 0.000000       0.000000 57.52268       18.08906 ?        ?        33.70065 5.685789 ?              ?        
1 1 1 11  16 24 o 195.8183 4.868785 1888.834       93.32112 0.000000       0.000000 1888.834       93.32112 ?        ?        195.8183 4.868785 ?              ?        
1 1 1 11  16 25 o 80.24961 3.648718 317.1205       28.58589 0.000000       0.000000 317.1205       28.58589 ?        ?        80.24961 3.648718 ?              ?        
1 1 1 11  16 26 o 97.11829 3.695719 464.4881       35.06816 0.000000       0.000000 464.4881       35.06816 ?        ?        97.11829 3.695719 ?              ?        
1 1 1 11  16 27 o 105.6003 3.803946 549.6215       39.25505 0.000000       0.000000 549.6215       39.25505 ?        ?        105.6003 3.803946 ?              ?        
1 1 1 11  16 28 o 143.2021 4.159850 1012.272       58.24688 0.000000       0.000000 1012.272       58.24688 ?        ?        143.2021 4.159850 ?              ?        
1 1 1 11  16 29 o 108.4768 3.253410 579.4553       34.50570 658.2000       67.66229 551.7783       40.11393 114.7777 6.043885 105.7139 3.883251 9.063774       7.183884 
1 1 1 11  16 30 o 143.8206 4.928440 1027.310       69.27792 1034.000       95.87123 1020.000       100.2210 143.3191 6.853912 142.1229 7.227977 1.196152       9.960912 
1 1 1 11  16 31 o 96.19395 3.567521 457.1216       33.53262 484.7726       41.19226 402.8000       57.73595 98.86871 4.266521 89.25259 6.656689 9.616119       7.906624 
1 1 1 11  16 32 o 59.20888 3.563034 173.6667       20.55412 181.6113       27.35642 163.3679       31.14687 60.29670 4.671518 56.89321 5.668384 3.403492       7.345315 
1 1 1 11  16 33 o 83.78926 3.736189 347.8222       30.56538 371.6259       35.68092 282.2000       59.24326 86.46883 4.228528 73.65077 8.365853 12.81805       9.373791 
1 1 1 11  16 34 o 143.0751 3.528591 1011.808       49.41646 992.3235       66.91871 1035.176       73.28526 140.9936 4.856134 143.7944 5.215411 -2.800781      7.126187 
1 1 1 11  16 35 o 39.02347 4.860130 77.10232       18.16314 72.12369       23.30724 84.80151       28.98400 37.20169 6.644456 40.05964 7.670964 -2.857944      10.14852 
1 1 1 11  16 36 o 52.29381 4.025218 136.5911       20.44530 118.6175       26.68743 162.1279       31.81064 48.18809 5.772721 56.40498 5.846352 -8.216892      8.216090 
1 1 1 11  16 37 o 43.90104 4.597486 97.26203       19.46346 95.74952       25.66812 99.30820       29.85485 43.00743 6.282806 43.43059 7.280250 -0.4231567     9.616428 
1 1 1 11  16 38 o 84.71738 3.412022 356.3505       28.23587 342.6364       37.64521 373.9887       42.69243 82.55093 4.678025 86.04758 5.091571 -3.496643      6.914334 
1 1 1 11  16 39 o 96.05354 3.388252 458.5602       31.80640 432.1895       42.36188 492.6366       48.15502 92.60100 4.688880 98.68475 5.001540 -6.083748      6.855727 
1 1 1 11  16 40 o 67.30083 3.683343 226.5324       24.17185 223.3092       32.54721 230.4967       36.09587 66.19541 5.061580 66.99059 5.554642 -0.7951813     7.514894 
1 1 1 11  16 41 o 25.38524 8.082083 34.73567       22.60658 38.43000       40.18035 33.02459       27.34523 27.89746 10.62351 25.29871 8.900111 2.598745       13.85897 
1 1 1 11  16 42 o 46.61457 4.565724 110.8192       20.56544 93.73244       27.08772 134.0703       31.59838 41.79597 6.858826 50.29593 6.575708 -8.499950      9.501760 
1 1 1 11  16 43 o 44.02523 5.176146 100.2474       21.87995 99.54501       26.96940 101.6000       37.42422 43.18002 6.589296 41.97926 9.347834 1.200756       11.43682 
1 1 1 11  16 44 o 20.48278 7.493282 19.77711       19.59400 19.11957       24.51548 20.94000       32.60244 21.28426 8.248199 23.22321 9.348505 -1.938946      12.46705 
1 1 1 11  16 45 o 61.71044 3.895479 192.2498       23.41013 197.1244       31.45391 186.1963       35.05133 61.73277 5.255296 59.43189 6.112345 2.300884       8.060949 
1 1 1 11  16 46 o 49.66190 5.674810 129.4650       27.09087 141.0726       30.36025 84.11000       60.01311 51.58006 6.133325 35.63549 13.10122 15.94457       14.46581 
1 1 1 11  16 47 f 30.81217 6.740794 52.41411       19.76339 40.66735       27.90689 64.23315       27.99261 26.71303 9.007358 33.19128 8.560402 -6.478249      12.42630 
1 1 1 11  16 48 o 41.77870 5.159190 91.45240       20.65031 134.0937       30.00931 53.10001       28.46013 49.96656 6.273737 29.91527 8.993488 20.05128       10.96552 
1 1 1 11  16 49 o 48.17502 4.636198 119.9090       21.59236 140.7817       30.61027 99.23706       30.46269 51.19737 6.236744 41.92158 7.707710 9.275787       9.914927 
1 1 1 11  16 50 o 55.73344 4.190675 158.8962       22.69413 171.1571       32.24368 146.8597       31.94707 56.69534 5.896226 52.11844 6.396245 4.576897       8.699278 
1 1 1 11  16 51 o 44.82220 4.987077 105.0329       21.50985 92.53167       30.33039 117.6821       30.50943 40.12700 8.002896 46.16069 6.969253 -6.033691      10.61211 
1 1 1 11  16 52 o 35.76929 6.076530 69.39913       20.51477 86.23167       29.45275 53.53722       28.59097 38.65137 8.046878 29.82909 9.024374 8.822279       12.09097 
1 1 1 11  16 53 o 14.22172 6.441926 -6.723674      19.30453 7.504207       27.73532 -20.09346      26.88594 19.21688 8.240288 15.13791 7.113371 4.078978       10.88588 
1 1 1 11  16 54 o 30.20613 7.752457 53.08283       23.03484 39.31304       31.43543 69.05000       33.85087 26.05883 9.497705 33.13979 9.770975 -7.080956      13.62638 
1 1 1 11  16 55 o 26.92479 8.859111 43.71949       27.02834 48.32246       31.44529 30.70000       52.88512 27.95688 9.559665 26.13373 11.29399 1.823158       14.79667 
1 1 1 11  16 56 o 65.29694 4.146647 219.6913       26.36615 187.6504       37.79313 250.0727       36.80138 57.97239 6.788593 68.36429 5.547188 -10.39190      8.766771 
1 1 1 11  17 0  o 278.0540 7.792696 3810.876       211.8823 3961.000       309.8395 3679.000       290.3980 282.4123 11.23088 272.2671 10.91878 10.14523       15.66373 
1 1 1 11  17 1  o 49.69997 4.740378 122.2683       22.78183 108.7178       34.54255 132.7000       30.30794 46.34681 7.897136 51.61303 6.118016 -5.266216      9.989738 
1 1 1 11  17 2  o 144.6909 3.525417 1025.961       49.92960 988.9463       72.98089 1058.529       68.45814 141.8453 5.265535 146.8125 4.770159 -4.967178      7.104948 
1 1 1 11  17 3  f 199.4429 4.239726 1950.520       82.76800 1951.832       119.6041 1949.313       114.6559 199.2060 6.141243 199.1171 5.889241 0.8898926E-01  8.508703 
1 1 1 11  17 4  o 89.82429 4.551951 396.7770       39.89142 390.3000       64.95090 400.7000       50.54873 88.71262 7.551575 90.13973 5.759244 -1.427116      9.497114 
1 1 1 11  17 5  o 219.5430 4.555664 2364.313       97.89880 2265.498       137.2332 2466.712       139.6994 214.5487 6.542368 223.9123 6.380479 -9.363617      9.138550 
1 1 1 11  17 6  o 191.8360 4.758955 1805.641       89.36098 1523.000       146.5668 1972.870       112.7389 175.4870 8.558470 200.3244 5.755516 -24.83742      10.31375 
1 1 1 11  17 7  o 67.05025 3.825812 221.1068       25.00483 117.9000       54.51303 248.6078       28.13977 47.77581 11.74183 71.09026 4.060828 -23.31445      12.42420 
1 1 1 11  17 8  o 111.9011 3.242245 614.0953       35.47549 465.5000       73.22028 659.6772       40.55318 96.88150 7.786718 115.9581 3.577152 -19.07658      8.569073 
1 1 1 11  17 9  o 163.7145 4.309603 1315.534       69.00060 1124.000       116.5610 1418.862       85.61291 150.7837 7.925385 169.9236 5.153255 -19.13989      9.453453 
1 1 1 11  17 10 o 179.7296 4.518137 1585.833       79.42200 1660.000       145.7950 1554.536       94.70809 183.2584 8.148167 177.8213 5.447655 5.437103       9.801508 
1 1 1 11  17 11 o 88.83273 3.596825 387.4588       31.21041 284.2000       62.76611 421.3767       35.97296 75.37189 8.665101 92.61352 3.977490 -17.24162      9.534380 
1 1 1 11  17 12 o 106.9404 3.252737 560.9727       34.00882 406.5000       69.99895 608.7020       38.90976 90.42751 7.990464 111.3757 3.573751 -20.94822      8.753241 
1 1 1 11  17 13 f 200.7785 4.926759 1979.266       96.82439 1872.000       164.8250 2035.786       119.6442 194.4197 8.683079 203.3775 6.016726 -8.957779      10.56394 
1 1 1 11  17 14 o 192.2303 4.777587 1814.213       89.89525 1626.000       148.4438 1923.210       112.9648 181.2043 8.392053 197.6813 5.844517 -16.47694      10.22668 
1 1 1 11  17 15 o 144.4128 3.478578 1022.477       49.17153 858.9000       95.81404 1080.961       57.29141 131.7353 7.461047 148.3958 3.947731 -16.66051      8.441078 
1 1 1 11  17 16 o 22.54778 5.959503 25.91091       13.34953 0.000000       0.000000 25.91091       13.34953 ?        ?        22.54778 5.959503 ?              ?        
1 1 1 11  17 17 f 13.24698 5.577744 0.8923299      12.31574 0.000000       0.000000 0.8923299      12.31574 ?        ?        13.24698 5.577744 ?              ?        
1 1 1 11  17 18 f 109.5162 3.597882 588.9463       38.51605 0.000000       0.000000 588.9463       38.51605 ?        ?        109.5162 3.597882 ?              ?        
1 1 1 11  17 19 o 179.6348 5.667246 1590.318       99.52337 0.000000       0.000000 1590.318       99.52337 ?        ?        179.6348 5.667246 ?              ?        
1 1 1 11  17 20 o 108.7777 3.594834 581.2549       38.22329 0.000000       0.000000 581.2549       38.22329 ?        ?        108.7777 3.594834 ?              ?        
1 1 1 11  17 21 o 173.1853 4.479775 1475.481       75.87675 0.000000       0.000000 1475.481       75.87675 ?        ?        173.1853 4.479775 ?              ?        
1 1 1 11  17 22 o 36.21037 5.275166 65.94515       18.14797 0.000000       0.000000 65.94515       18.14797 ?        ?        36.21037 5.275166 ?              ?        
1 1 1 11  17 23 o 153.5608 4.172668 1160.572       62.66106 0.000000       0.000000 1160.572       62.66106 ?        ?        153.5608 4.172668 ?              ?        
1 1 1 11  17 24 o 153.0706 4.178490 1153.882       62.54763 0.000000       0.000000 1153.882       62.54763 ?        ?        153.0706 4.178490 ?              ?        
1 1 1 11  17 25 o 125.6346 3.877472 777.3622       47.62597 0.000000       0.000000 777.3622       47.62597 ?        ?        125.6346 3.877472 ?              ?        
1 1 1 11  17 26 o 33.46971 6.221384 57.39278       19.63189 0.000000       0.000000 57.39278       19.63189 ?        ?        33.46971 6.221384 ?              ?        
1 1 1 11  17 27 o 54.82345 4.395521 149.3102       23.39008 0.000000       0.000000 149.3102       23.39008 ?        ?        54.82345 4.395521 ?              ?        
1 1 1 11  17 28 o 134.6160 4.032240 894.8884       53.07127 0.000000       0.000000 894.8884       53.07127 ?        ?        134.6160 4.032240 ?              ?        
1 1 1 11  17 29 o 130.6622 4.815653 847.5531       61.48480 0.000000       0.000000 847.5531       61.48480 ?        ?        130.6622 4.815653 ?              ?        
1 1 1 11  17 30 o 53.73828 4.569265 144.1844       23.80686 202.4000       38.57454 108.3685       30.25654 63.22581 6.317544 45.89220 6.953120 17.33361       9.394532 
1 1 1 11  17 31 o 89.87637 3.766208 399.8244       33.05921 438.6000       55.12645 378.0474       41.31231 93.32422 6.067649 87.06186 4.867184 6.262360       7.778550 
1 1 1 11  17 32 o 55.15548 6.055935 154.5817       32.15748 166.1000       42.12798 138.5000       49.77857 56.53435 7.822287 50.44079 10.42692 6.093559       13.03490 
1 1 1 11  17 33 o 56.65167 3.937137 159.7359       21.69645 159.5287       29.32253 159.9867       32.25327 56.20858 5.395768 56.10156 5.964767 0.1070251      8.043180 
1 1 1 11  17 34 o 88.57946 3.282843 387.9945       28.41432 396.9266       38.36943 377.1474       42.28286 89.23012 4.406698 86.74483 5.001029 2.485291       6.665529 
1 1 1 11  17 35 o 28.68189 6.657993 43.44840       18.33156 19.58437       24.21374 75.49284       28.05862 21.92599 8.270369 37.60939 7.874812 -15.68340      11.41979 
1 1 1 11  17 36 o 24.80730 7.163400 32.40540       18.36206 15.20920       24.63412 53.90525       27.54473 20.95650 8.225715 31.52763 8.660905 -10.57113      11.94461 
1 1 1 11  17 37 o 106.1146 3.372457 558.4772       34.98452 556.4709       47.11399 560.9430       52.23206 105.3386 4.580315 105.4746 5.074097 -0.1359940     6.835623 
1 1 1 11  17 38 o 68.58170 3.680982 234.6286       24.61977 203.3178       33.28915 272.4319       36.57800 63.11728 5.441328 73.28045 5.131917 -10.16317      7.479614 
1 1 1 11  17 39 o 30.40682 6.649193 49.60143       19.23735 32.09681       26.55410 68.93628       27.90780 25.09563 8.774840 35.31729 8.226560 -10.22166      12.02806 
1 1 1 11  17 40 o 77.77706 3.476624 301.8983       26.40076 283.2367       35.36086 325.4028       39.68473 74.64079 4.866481 79.87833 5.102285 -5.237541      7.050954 
1 1 1 11  17 41 o 67.89395 3.644478 230.9123       24.13115 214.5067       32.45444 251.1961       36.08708 64.68298 5.168971 69.93797 5.311190 -5.254997      7.411275 
1 1 1 11  17 42 o 17.59761 6.970389 10.62503       17.83328 21.58174       24.08496 -2.671646      26.53246 21.85075 8.246943 17.70607 7.816602 4.144680       11.36272 
1 1 1 11  17 43 o 18.16130 7.216206 11.42464       19.16990 19.51418       24.48110 -1.398000      30.82177 21.38528 8.254520 19.12390 8.434395 2.261379       11.80153 
1 1 1 11  17 44 o 38.08112 6.079990 77.22977       21.90135 55.18206       26.94038 120.2000       37.61021 30.99352 8.585388 46.00122 8.670703 -15.00769      12.20205 
1 1 1 11  17 45 o 32.10271 8.058714 58.71002       25.28155 49.48589       27.94483 100.3000       59.33804 29.22264 8.938289 38.36386 13.13164 -9.141218      15.88499 
1 1 1 11  17 46 o 33.30918 6.493104 60.48661       20.40912 60.17715       28.53756 60.81059       29.19954 32.03460 8.821719 32.13873 8.951527 -0.1041298     12.56792 
1 1 1 11  17 47 o 38.74572 5.562566 79.61829       20.49211 56.17358       28.76136 103.7904       29.20416 30.74069 8.991153 43.34175 7.131691 -12.60107      11.47614 
1 1 1 11  17 48 o 17.90435 7.114979 11.95343       18.63804 12.72096       26.73009 11.22718       26.00136 20.05158 8.312841 19.59733 8.167772 0.4542484      11.65401 
1 1 1 11  17 49 o 37.65347 5.654668 75.60014       20.19771 78.28346       29.09923 73.10558       28.05702 36.71257 8.293966 35.48248 8.237107 1.230091       11.68930 
1 1 1 11  17 50 o 38.95703 5.576683 80.81239       20.65928 102.6369       29.59367 60.06571       28.85365 42.83393 7.321189 31.63987 8.929340 11.19406       11.54699 
1 1 1 11  17 51 o 21.49025 7.492410 24.52033       19.35149 23.32169       27.75571 25.65412       26.99446 22.31725 8.739804 22.72191 8.694168 -0.4046593     12.32772 
1 1 1 11  17 52 o 15.92903 6.813479 3.331608       18.87580 2.798361       26.85299 3.852442       26.53861 18.23283 7.961744 18.32111 7.958744 -0.8827591E-01 11.25748 
1 1 1 11  17 53 o 36.55931 6.561722 73.84273       22.61847 79.47029       30.57471 67.04000       33.61583 36.46959 8.689167 32.69522 9.761492 3.774372       13.06860 
1 1 1 11  17 54 o 18.40901 7.910012 6.403390       25.65442 22.25844       29.81345 -38.83000      50.35678 22.19515 8.937936 19.36164 9.278180 2.833511       12.88299 
1 1 1 11  17 55 o 27.18952 7.415870 43.16040       20.27810 107.7137       32.03881 0.1865758E-01  26.19183 42.95414 7.911609 17.40342 7.720462 25.55072       11.05437 
1 1 1 11  17 56 o 23.12897 7.755948 30.85427       20.69276 38.93367       32.12963 25.12775       27.04964 25.50707 9.546749 22.13758 8.640009 3.369495       12.87595 
1 1 1 11  18 0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  18 1  o 283.5169 5.596261 3948.207       155.3042 3909.063       220.0300 3987.069       219.2386 281.4706 7.994344 284.2982 7.885996 -2.827606      11.22936 
1 1 1 11  18 2  o 156.4027 4.186664 1200.478       64.03652 1332.000       123.2856 1151.884       74.93847 164.2357 7.690351 153.1112 5.006982 11.12445       9.176676 
1 1 1 11  18 3  o 287.8201 6.557762 4074.647       184.7494 3676.000       303.0332 4310.479       233.0759 271.7771 11.41667 295.5477 8.064357 -23.77060      13.97764 
1 1 1 11  18 4  o 26.07240 7.764870 33.90511       21.29114 47.04589       34.56399 25.87000       27.02771 31.18817 10.00035 24.75406 8.834719 6.434109       13.34389 
1 1 1 11  18 5  o 277.9641 6.341984 3799.526       172.5520 3768.000       299.6016 3815.174       211.0745 275.2268 11.14413 278.1002 7.761634 -2.873444      13.58067 
1 1 1 11  18 6  f 164.2029 3.751934 1321.832       60.30347 1411.000       129.4091 1297.098       68.15572 168.9901 7.844841 162.5611 4.287050 6.428925       8.939816 
1 1 1 11  18 7  o 133.9635 5.220314 882.5699       68.32146 841.4000       96.06898 924.7000       97.18291 130.4484 7.556156 136.8215 7.282772 -6.373108      10.49449 
1 1 1 11  18 8  o 64.23390 3.974977 203.0996       24.86979 73.39000       57.01675 233.5760       27.63748 39.10589 12.86713 68.88876 4.117468 -29.78286      13.50987 
1 1 1 11  18 9  o 88.55935 3.653268 385.1364       31.60011 307.4000       65.94439 408.3074       36.00294 78.40240 8.741471 91.15503 4.045146 -12.75263      9.632057 
1 1 1 11  18 10 o 61.92981 3.898151 188.8179       23.51017 165.1000       56.65372 193.7520       25.84017 56.78952 10.58108 62.70414 4.234947 -5.914619      11.39711 
1 1 1 11  18 11 o 45.81772 4.138737 103.8120       18.36133 40.05000       50.78452 113.4005       19.69358 32.24846 12.01589 47.89127 4.245015 -15.64281      12.74369 
1 1 1 11  18 12 o 117.6415 3.817987 679.4246       43.90617 640.7000       80.99125 695.5416       52.25012 113.7599 7.312210 118.9597 4.495348 -5.199760      8.583506 
1 1 1 11  18 13 o 80.32162 3.721133 317.0670       29.17643 300.5000       60.31857 322.1272       33.33570 77.58261 8.060265 80.91331 4.223666 -3.330696      9.099847 
1 1 1 11  18 14 o 54.28684 3.380521 145.0445       17.87409 146.9000       51.97701 144.7956       19.03499 53.48527 10.30188 54.21902 3.607213 -0.7337532     10.91516 
1 1 1 11  18 15 o 26.27716 5.512813 35.22396       13.72624 -37.65000      48.71656 41.50809       14.30583 21.52642 9.930714 28.60717 5.304215 -7.080751      11.25850 
1 1 1 11  18 16 o 98.72051 3.214674 478.3165       31.02209 350.0000       70.50381 509.1237       34.54596 83.58331 8.746980 101.8301 3.470963 -18.24680      9.410485 
1 1 1 11  18 17 o 102.0464 3.508845 511.4031       34.99626 0.000000       0.000000 511.4031       34.99626 ?        ?        102.0464 3.508845 ?              ?        
1 1 1 11  18 18 o 82.46592 3.437316 334.1830       27.68515 0.000000       0.000000 334.1830       27.68515 ?        ?        82.46592 3.437316 ?              ?        
1 1 1 11  18 19 o 146.4201 4.046444 1053.721       57.93804 0.000000       0.000000 1053.721       57.93804 ?        ?        146.4201 4.046444 ?              ?        
1 1 1 11  18 20 o 46.49845 4.163030 107.0873       18.74733 0.000000       0.000000 107.0873       18.74733 ?        ?        46.49845 4.163030 ?              ?        
1 1 1 11  18 21 o 93.97501 4.118115 434.9676       37.78865 0.000000       0.000000 434.9676       37.78865 ?        ?        93.97501 4.118115 ?              ?        
1 1 1 11  18 22 o 117.1961 3.726986 675.5978       42.69966 0.000000       0.000000 675.5978       42.69966 ?        ?        117.1961 3.726986 ?              ?        
1 1 1 11  18 23 o 80.73971 3.607663 321.0343       28.43945 0.000000       0.000000 321.0343       28.43945 ?        ?        80.73971 3.607663 ?              ?        
1 1 1 11  18 24 o 120.3357 3.804641 713.1785       44.75774 0.000000       0.000000 713.1785       44.75774 ?        ?        120.3357 3.804641 ?              ?        
1 1 1 11  18 25 o 87.99159 3.707294 381.7479       31.85886 0.000000       0.000000 381.7479       31.85886 ?        ?        87.99159 3.707294 ?              ?        
1 1 1 11  18 26 o 92.32277 3.725735 420.4935       33.59959 0.000000       0.000000 420.4935       33.59959 ?        ?        92.32277 3.725735 ?              ?        
1 1 1 11  18 27 o 55.31644 4.394408 152.1455       23.59823 0.000000       0.000000 152.1455       23.59823 ?        ?        55.31644 4.394408 ?              ?        
1 1 1 11  18 28 o 73.90728 4.626101 271.5979       33.29853 0.000000       0.000000 271.5979       33.29853 ?        ?        73.90728 4.626101 ?              ?        
1 1 1 11  18 29 o 101.5261 3.857432 509.9537       38.26411 0.000000       0.000000 509.9537       38.26411 ?        ?        101.5261 3.857432 ?              ?        
1 1 1 11  18 30 o 103.2518 4.794263 531.0247       48.32127 0.000000       0.000000 531.0247       48.32127 ?        ?        103.2518 4.794263 ?              ?        
1 1 1 11  18 31 o 28.69254 8.977288 42.79568       28.00450 74.61000       36.23428 -4.399000      44.13212 37.07265 9.827562 23.14541 10.15426 13.92723       14.13117 
1 1 1 11  18 32 o 74.71789 4.038555 277.5268       29.42657 345.3000       51.04480 243.7921       36.01310 82.45934 6.373636 69.61193 5.325750 12.84740       8.305832 
1 1 1 11  18 33 o 110.1443 3.936859 602.2040       42.37591 663.9000       73.04529 570.9069       52.02546 114.2572 6.558900 106.7851 4.991168 7.472115       8.242022 
1 1 1 11  18 34 o 61.06500 4.608588 186.9905       27.34319 140.6000       43.22929 217.9273       35.30213 51.18286 8.954710 65.60843 5.549108 -14.42557      10.53468 
1 1 1 11  18 35 o 43.03625 5.809501 95.10371       23.84813 116.5000       41.34993 84.43946       29.19245 46.14191 9.472842 39.80317 7.771799 6.338737       12.25298 
1 1 1 11  18 36 o 24.14567 7.976166 29.71839       21.90171 5.993000       37.65878 41.84489       26.92324 22.54109 9.632336 28.01584 8.807542 -5.474754      13.05200 
1 1 1 11  18 37 o 95.29946 3.994054 453.7122       37.17464 409.9000       60.76558 479.9172       46.99495 88.68129 7.058548 97.49738 4.940489 -8.816093      8.615772 
1 1 1 11  18 38 o 70.64058 4.283951 251.0445       29.48212 266.9000       49.40389 242.2751       36.74141 71.14640 7.192863 68.78978 5.502489 2.356621       9.056195 
1 1 1 11  18 39 o 21.92865 7.280416 24.72985       18.24093 13.65011       24.77948 37.83576       26.95016 20.30610 8.158505 26.53077 8.850503 -6.224669      12.03713 
1 1 1 11  18 40 o 67.82973 3.633150 230.3959       24.03378 209.9135       31.91145 257.2410       36.53326 64.01431 5.135937 70.79417 5.310824 -6.779861      7.388011 
1 1 1 11  18 41 o 60.66004 3.839034 185.1054       22.67761 167.4244       29.73326 209.6945       35.06393 56.92808 5.400514 63.57874 5.694574 -6.650661      7.848167 
1 1 1 11  18 42 o 41.04731 5.399942 87.79193       21.17032 81.08720       26.56120 99.47000       35.05442 38.49228 7.317037 41.79643 8.844642 -3.304146      11.47897 
1 1 1 11  18 43 o 47.20699 4.652030 114.2651       21.21684 130.7092       28.67981 94.38630       31.53300 49.80090 6.004494 41.01329 8.142090 8.787609       10.11670 
1 1 1 11  18 44 o 16.62062 7.331511 -2.105492      23.29697 0.9050075      25.55033 -16.95000      56.73620 17.83878 7.778368 23.05415 10.66433 -5.215374      13.19966 
1 1 1 11  18 45 o 25.26537 7.736516 35.64854       20.92802 47.02300       27.38894 19.69000       32.44190 28.51196 8.871554 22.72429 9.260509 5.787664       12.82425 
1 1 1 11  18 46 o 16.15239 6.873991 3.665105       19.03983 -13.03627      26.71437 20.90737       27.14351 16.04869 7.385673 21.86740 8.618915 -5.818714      11.35050 
1 1 1 11  18 47 o 19.37359 7.293204 17.30818       18.80921 19.17014       26.05412 15.28150       27.18220 21.23039 8.420121 20.65436 8.453924 0.5760231      11.93178 
1 1 1 11  18 48 o 37.29284 6.410701 75.82297       22.55784 49.34000       35.86669 93.15406       29.01489 28.70711 10.18444 40.65882 7.569005 -11.95171      12.68908 
1 1 1 11  18 49 o 19.00514 7.250636 16.19336       18.73866 1.374984       26.58562 30.82338       26.41611 17.97358 7.883384 23.89322 8.706786 -5.919640      11.74546 
1 1 1 11  18 50 o 32.43932 6.484206 58.10146       19.86865 51.99704       28.04803 64.25004       28.14928 29.43043 8.945492 32.84230 8.641350 -3.411873      12.43763 
1 1 1 11  18 51 o 60.19486 4.107923 185.1996       24.05899 205.9646       33.66832 163.5320       34.39233 62.41585 5.569317 54.81581 6.538646 7.600040       8.589016 
1 1 1 11  18 52 f 27.36276 7.727557 43.48856       21.60197 42.31596       28.95716 44.96000       32.43790 26.72016 9.172556 27.37802 9.688053 -0.6578560     13.34144 
1 1 1 11  18 53 o 28.48520 8.571032 48.65405       25.84091 58.55960       29.90521 19.46000       51.33986 30.82451 9.207947 24.84412 10.92408 5.980391       14.28712 
1 1 1 11  18 54 o 24.69724 7.598199 35.38726       20.15676 26.89775       30.58965 41.90225       26.79724 23.11379 9.137392 26.39745 8.825749 -3.283661      12.70377 
1 1 1 11  18 55 o 39.21142 5.609943 83.30320       20.91882 86.27726       31.99951 81.08372       27.64355 37.34384 8.884007 37.03384 7.868822 0.3100052      11.86777 
1 1 1 11  19 0  o 201.0224 4.291410 1982.266       84.44049 1959.714       121.4265 2003.385       117.5038 199.5277 6.224950 201.7898 5.955553 -2.262070      8.615023 
1 1 1 11  19 1  o 171.4522 4.444979 1443.188       74.53367 1406.000       133.2172 1460.134       89.92558 168.6153 8.095201 172.3378 5.337283 -3.722504      9.696332 
1 1 1 11  19 2  o 151.0811 4.283548 1120.575       63.28215 1092.879       79.04905 1170.000       105.5977 149.0607 5.426914 153.9831 7.024589 -4.922409      8.876724 
1 1 1 11  19 3  o 110.9569 3.745966 604.2903       40.62573 540.6000       77.11557 628.7570       47.79614 104.4499 7.594604 113.1297 4.324246 -8.679794      8.739400 
1 1 1 11  19 4  o 85.09392 4.607380 356.3727       38.23279 0.000000       0.000000 356.3727       38.23279 ?        ?        85.09392 4.607380 ?              ?        
1 1 1 11  19 5  o 243.7155 4.941723 2916.108       117.8875 2753.000       230.4449 2973.923       137.1990 235.4531 10.02192 245.9929 5.697998 -10.53975      11.52849 
1 1 1 11  19 6  o 218.0209 4.540715 2332.608       96.90107 2188.000       190.4077 2383.151       112.5686 210.0608 9.283405 220.2749 5.220910 -10.21407      10.65080 
1 1 1 11  19 7  o 147.9823 4.097317 1074.983       59.29218 1035.000       108.2886 1092.102       70.85749 144.6543 7.675426 149.0659 4.862759 -4.411575      9.086176 
1 1 1 11  19 8  o 18.15809 7.848466 -3.078057      25.54728 -6.583000      52.67429 -2.000000      29.21320 25.92606 11.23775 19.65224 8.442471 6.273825       14.05568 
1 1 1 11  19 9  o 152.1160 3.626951 1134.571       54.00364 1006.000       107.9384 1177.501       62.37130 142.5600 7.764518 154.8715 4.118061 -12.31148      8.788980 
1 1 1 11  19 10 o 36.13023 5.028451 65.34277       17.30202 38.61000       51.39757 68.75929       18.37441 32.08750 12.06104 37.05109 5.210211 -4.963593      13.13830 
1 1 1 11  19 11 o 119.9188 3.952597 706.2419       46.33214 534.9000       79.51178 794.3314       57.01143 103.7614 7.887800 127.1117 4.589692 -23.35036      9.125934 
1 1 1 11  19 12 o 113.0879 3.860950 628.0974       42.67557 478.0000       74.66177 700.9312       52.00896 98.04996 7.844763 119.4052 4.457710 -21.35526      9.022831 
1 1 1 11  19 13 o 184.2007 4.008741 1664.907       72.27792 1552.000       143.0709 1703.597       83.75111 176.9071 8.285298 186.2529 4.593898 -9.345810      9.473652 
1 1 1 11  19 14 o 139.0696 4.005925 949.9481       54.47389 839.9000       95.34873 1003.272       66.37226 130.1572 7.516082 142.8195 4.754431 -12.66232      8.893600 
1 1 1 11  19 15 o 88.12655 3.181291 381.2958       27.39701 300.3000       62.88451 400.2713       30.43755 77.38569 8.438440 90.27088 3.451091 -12.88519      9.116869 
1 1 1 11  19 16 o 153.9698 3.625255 1163.225       54.63617 1002.000       107.1958 1219.807       63.50380 142.0516 7.738713 157.5576 4.121232 -15.50606      8.767681 
1 1 1 11  19 17 o 28.97221 5.259425 42.58228       14.36594 0.000000       0.000000 42.58228       14.36594 ?        ?        28.97221 5.259425 ?              ?        
1 1 1 11  19 18 o 117.6885 3.686495 680.6359       42.41486 0.000000       0.000000 680.6359       42.41486 ?        ?        117.6885 3.686495 ?              ?        
1 1 1 11  19 19 o 95.23731 3.507282 445.8810       32.63936 0.000000       0.000000 445.8810       32.63936 ?        ?        95.23731 3.507282 ?              ?        
1 1 1 11  19 20 f 46.03388 4.192845 105.0710       18.68552 0.000000       0.000000 105.0710       18.68552 ?        ?        46.03388 4.192845 ?              ?        
1 1 1 11  19 21 o 72.39310 3.575868 258.1164       25.26031 0.000000       0.000000 258.1164       25.26031 ?        ?        72.39310 3.575868 ?              ?        
1 1 1 11  19 22 o 147.5818 4.112025 1072.998       59.34325 0.000000       0.000000 1072.998       59.34325 ?        ?        147.5818 4.112025 ?              ?        
1 1 1 11  19 23 o 86.97462 3.627392 372.7401       30.81335 0.000000       0.000000 372.7401       30.81335 ?        ?        86.97462 3.627392 ?              ?        
1 1 1 11  19 24 o 76.32777 3.720071 287.4860       27.70958 0.000000       0.000000 287.4860       27.70958 ?        ?        76.32777 3.720071 ?              ?        
1 1 1 11  19 25 o 110.5455 3.297772 601.7048       35.64364 529.6000       69.25394 627.6879       41.57265 102.6372 6.934103 112.8055 3.770350 -10.16837      7.892866 
1 1 1 11  19 26 o 205.1467 4.386652 2080.343       88.08541 2324.000       186.8595 2010.729       99.87914 213.3247 8.968873 201.2873 5.073393 12.03743       10.30437 
1 1 1 11  19 27 o 111.2460 3.752342 611.3156       40.80102 677.6000       74.74165 583.1777       48.69703 116.0279 6.608358 108.4010 4.599931 7.626892       8.051693 
1 1 1 11  19 28 o 76.09431 3.410962 286.0760       25.34136 378.6000       54.71933 260.8137       28.59236 86.55377 6.506380 72.50945 4.044582 14.04432       7.661046 
1 1 1 11  19 29 o 93.26530 3.919260 430.9612       35.69944 476.2000       61.61761 408.1030       43.79954 97.02417 6.526077 90.41914 4.967925 6.605034       8.201826 
1 1 1 11  19 30 o 81.87675 3.924825 332.6010       31.36322 338.7930       36.84147 316.3000       59.77636 82.43531 4.583856 78.24060 7.914025 4.194710       9.145684 
1 1 1 11  19 31 o 48.96151 4.337040 119.9661       20.57044 114.3909       28.30315 126.2084       29.94852 47.23782 6.276400 49.64368 6.305231 -2.405869      8.896580 
1 1 1 11  19 32 o 27.28373 7.017528 39.34713       18.84663 21.37216       26.41945 57.97248       26.89317 22.89435 8.638139 32.84887 8.347980 -9.954523      12.01275 
1 1 1 11  19 33 o 68.07601 3.615547 230.1161       24.00568 210.8372       32.76915 252.4456       35.26657 64.64674 5.223036 70.81207 5.122662 -6.165329      7.315857 
1 1 1 11  19 34 o 58.59347 3.906650 171.2353       22.27778 170.2725       30.72476 172.3026       32.34904 57.90759 5.486014 58.14903 5.759027 -0.2414474     7.953788 
1 1 1 11  19 35 o 20.11170 7.698445 15.66982       21.17083 0.6124000      36.63589 23.21894       25.94058 21.51366 9.348259 23.05037 8.587935 -1.536716      12.69419 
1 1 1 11  19 36 o 60.41209 4.509005 183.8591       26.47080 193.4000       43.69857 178.3288       33.26948 60.48427 7.544654 58.92790 5.844856 1.556366       9.543801 
1 1 1 11  19 37 o 73.77798 5.310821 277.5420       38.09596 0.000000       0.000000 277.5420       38.09596 ?        ?        73.77798 5.310821 ?              ?        
1 1 1 11  19 38 o 22.11340 7.572475 24.71252       19.73248 26.09000       29.92370 23.65266       26.24806 24.05736 9.166272 22.87885 8.614926 1.178503       12.57925 
1 1 1 11  19 39 o 23.18197 7.685198 28.13878       20.32759 23.60000       31.34150 31.43441       26.70665 23.70407 9.285942 24.77850 8.788472 -1.074430      12.78538 
1 1 1 11  19 40 o 66.69830 4.309803 225.1853       27.98641 223.3000       42.72235 226.6025       37.04050 64.83746 6.834358 66.04581 5.788061 -1.208359      8.956009 
1 1 1 11  19 41 o 15.17438 6.813450 -6.504273      21.05620 -3.007000      29.79620 -9.993000      29.75977 18.60336 8.244630 17.63107 7.991075 0.9722843      11.48178 
1 1 1 11  19 42 o 15.84813 6.898719 -0.3161825     20.02630 2.270000       30.90707 -2.187722      26.29225 19.64272 8.560127 17.63249 7.782758 2.010227       11.56923 
1 1 1 11  19 43 o 21.12794 8.671572 14.63453       28.69942 22.74000       33.21000 -9.273000      57.03577 23.51775 9.446298 23.80897 10.89555 -0.2912121     14.42032 
1 1 1 11  19 44 o 24.40807 7.932445 32.80352       21.70072 17.77000       36.01572 41.37228       27.19073 23.05674 9.611465 26.99227 8.885898 -3.935526      13.08967 
1 1 1 11  19 45 f 24.01838 7.807739 31.93967       21.02305 -17.45000      33.86368 62.91201       26.81656 17.69884 8.205139 32.94169 8.316762 -15.24285      11.68301 
1 1 1 11  19 46 o 25.00507 7.931547 35.34932       21.78929 37.45000       31.75383 33.48000       29.95426 25.97519 9.533176 24.94664 9.240929 1.028547       13.27691 
1 1 1 11  19 47 o 21.16945 7.776062 22.47328       21.13434 18.53000       31.48017 25.70895       28.51611 22.06056 9.071130 23.00196 8.900701 -0.9413967     12.70858 
1 1 1 11  19 48 o 19.66190 7.550608 17.36809       20.41002 42.47000       31.36569 -1.066311      26.87917 26.96634 9.528046 17.67828 7.832867 9.288054       12.33440 
1 1 1 11  19 49 o 31.72523 7.155558 56.91729       21.68936 72.31000       34.88923 47.22143       27.69026 33.99212 9.891638 28.14054 8.943095 5.851578       13.33505 
1 1 1 11  19 50 o 23.81397 7.895765 31.88527       21.45657 52.14000       34.01686 18.50200       27.65109 29.12953 9.943310 21.26119 8.591400 7.868340       13.14084 
1 1 1 11  19 51 o 37.45058 7.189997 79.10714       25.39883 78.63000       36.82655 79.54000       35.07610 35.10117 10.14736 35.61683 9.769203 -0.5156670     14.08567 
1 1 1 11  19 52 o 22.17071 8.884620 22.10141       29.30682 47.08000       36.21844 -25.27000      49.87743 27.85961 10.18836 20.36944 9.607774 7.490168       14.00400 
1 1 1 11  19 53 o 36.34472 6.683404 73.81390       22.90047 59.89000       38.41950 81.48721       28.52087 30.30221 10.55748 37.22525 8.061257 -6.923033      13.28323 
1 1 1 11  19 54 o 23.02277 7.913271 30.24553       21.55397 86.21000       39.40971 6.360939       25.74577 35.80254 10.53926 18.28041 7.890028 17.52213       13.16543 
1 1 1 11  19 55 o 32.12609 7.371332 60.46336       22.68702 34.51000       38.65601 74.09995       28.02032 24.92490 10.12669 34.90016 8.320263 -9.975260      13.10636 
1 1 1 11  20 0  o 38.40157 5.306643 73.80902       19.41431 55.13951       36.94860 80.92927       22.81809 33.34422 10.29236 40.13242 5.991943 -6.788200      11.90950 
1 1 1 11  20 1  o 246.6609 7.117467 3000.838       171.6633 2860.000       238.9701 3151.000       246.7542 239.8208 10.20338 251.8117 10.03119 -11.99095      14.30852 
1 1 1 11  20 2  o 130.8537 3.449057 839.9651       44.13812 765.2000       92.91456 861.7537       50.15899 124.3047 7.673832 132.5014 3.871580 -8.196617      8.595163 
1 1 1 11  20 3  o 166.1820 4.401100 1356.179       71.52685 1333.000       129.4098 1366.375       85.82846 164.0966 8.081640 166.6844 5.267150 -2.587814      9.646543 
1 1 1 11  20 4  o 167.3034 3.839962 1372.745       62.88366 1304.000       128.4526 1394.413       72.11623 162.2803 8.112417 168.5100 4.375914 -6.229736      9.217371 
1 1 1 11  20 5  o 113.9025 4.814899 638.1990       53.56065 718.4000       86.86298 589.0000       68.03356 120.4599 7.402674 109.1988 6.392975 11.26113       9.781090 
1 1 1 11  20 6  o 120.7921 3.865047 716.3844       45.63940 535.6000       82.30991 796.6420       54.84218 103.7936 8.167442 127.3261 4.407033 -23.53249      9.280574 
1 1 1 11  20 7  o 63.80892 5.458979 201.6056       33.76842 183.5000       58.83480 210.5000       41.23693 59.92356 10.40812 65.04752 6.566434 -5.123955      12.30638 
1 1 1 11  20 8  o 116.8954 5.336708 673.1002       60.90175 584.6000       83.26755 774.9000       89.30525 108.4899 7.895195 125.1006 7.325140 -16.61068      10.76995 
1 1 1 11  20 9  o 139.0527 3.538374 948.8024       48.12119 786.4000       95.63824 1003.855       55.68331 125.9204 7.797676 142.9831 3.982513 -17.06272      8.755807 
1 1 1 11  20 10 o 89.82408 4.384556 397.0403       38.43355 408.2000       68.44042 391.9000       46.44905 90.55711 7.797031 89.12037 5.349304 1.436737       9.455620 
1 1 1 11  20 11 o 45.14261 5.037960 101.3908       21.88213 40.85000       53.98199 113.2947       23.93694 32.86001 12.35859 47.72496 5.208535 -14.86495      13.41133 
1 1 1 11  20 12 o 77.25539 3.244494 293.1661       24.48015 180.6000       60.21487 315.4549       26.79438 59.26664 10.77661 80.12737 3.424201 -20.86072      11.30754 
1 1 1 11  20 13 o 76.63675 3.225136 288.5127       24.13901 249.0000       61.11881 295.8153       26.27514 70.22391 9.105877 77.57996 3.468878 -7.356049      9.744234 
1 1 1 11  20 14 o 190.0573 4.112607 1773.809       76.50821 1606.000       147.2416 1835.874       89.54575 179.7035 8.394008 193.2483 4.733944 -13.54477      9.636887 
1 1 1 11  20 15 o 33.16501 4.657853 55.12241       14.70455 -49.95000      47.41331 66.30421       15.46720 20.01081 9.416638 36.46795 4.423380 -16.45714      10.40382 
1 1 1 11  20 16 o 85.76311 3.134618 361.2670       26.27001 274.6000       58.78597 382.8928       29.36522 73.89084 8.269541 88.26834 3.405159 -14.37750      8.943177 
1 1 1 11  20 17 o 84.67313 3.455889 352.5117       28.58236 0.000000       0.000000 352.5117       28.58236 ?        ?        84.67313 3.455889 ?              ?        
1 1 1 11  20 18 o 139.5777 3.958444 958.3232       54.02663 0.000000       0.000000 958.3232       54.02663 ?        ?        139.5777 3.958444 ?              ?        
1 1 1 11  20 19 o 153.7604 4.170222 1163.922       62.70596 0.000000       0.000000 1163.922       62.70596 ?        ?        153.7604 4.170222 ?              ?        
1 1 1 11  20 20 o 177.1626 4.556609 1547.642       78.95132 0.000000       0.000000 1547.642       78.95132 ?        ?        177.1626 4.556609 ?              ?        
1 1 1 11  20 21 o 63.21685 3.646249 197.1822       22.46668 0.000000       0.000000 197.1822       22.46668 ?        ?        63.21685 3.646249 ?              ?        
1 1 1 11  20 22 o 59.48610 3.892218 174.9840       22.53860 0.000000       0.000000 174.9840       22.53860 ?        ?        59.48610 3.892218 ?              ?        
1 1 1 11  20 23 o 107.9330 3.246521 573.3506       34.25978 450.3000       66.91444 617.0663       39.88383 94.54072 7.287136 111.8949 3.646371 -17.35415      8.148520 
1 1 1 11  20 24 o 127.8060 3.397195 804.5536       42.46125 708.7000       81.79916 839.9085       49.67863 118.6788 7.073661 130.4560 3.894807 -11.77718      8.075036 
1 1 1 11  20 25 o 124.0587 3.830241 759.9116       46.45569 648.5000       78.21438 820.6388       57.74483 113.3811 7.082958 128.6802 4.591895 -15.29916      8.441196 
1 1 1 11  20 26 o 34.15685 6.125925 60.03971       19.72876 19.72000       41.01892 72.17384       22.50245 26.05726 10.48717 37.46670 6.363271 -11.40944      12.26670 
1 1 1 11  20 27 o 100.1913 3.271906 495.2697       32.04454 612.5000       69.79702 463.9601       36.07080 110.1704 6.501310 96.82897 3.813240 13.34138       7.537097 
1 1 1 11  20 28 o 94.57035 3.910566 443.1566       36.12125 393.4000       60.63705 470.5245       44.97112 87.84681 7.112678 97.17381 4.742330 -9.326996      8.548677 
1 1 1 11  20 29 o 91.95058 3.978381 419.5198       35.72220 404.7000       59.59658 427.8300       44.62768 89.10739 6.886236 92.51676 4.946056 -3.409370      8.478427 
1 1 1 11  20 30 o 46.96646 5.353148 111.7713       24.17071 164.9000       43.87661 88.62399       28.96136 56.03153 8.246485 41.07642 7.478543 14.95511       11.13253 
1 1 1 11  20 31 o 121.7868 4.020276 736.6757       47.85932 692.8000       78.54459 762.5857       60.35838 116.4399 6.922657 123.4181 5.006738 -6.978195      8.543454 
1 1 1 11  20 32 o 19.47181 7.636397 12.70929       21.21531 41.67000       39.14920 0.6685924      25.24318 29.31606 10.61154 18.25727 7.845608 11.05879       13.19691 
1 1 1 11  20 33 o 53.60417 4.898268 145.0316       25.41712 120.5000       44.55616 156.8655       30.94624 46.63758 10.05655 55.44255 5.787545 -8.804970      11.60301 
1 1 1 11  20 34 o 52.07703 5.131420 137.6518       25.81766 98.02000       44.23169 158.1315       31.79611 41.48493 10.79179 55.52594 5.942519 -14.04101      12.31975 
1 1 1 11  20 35 o 65.36727 4.408362 214.8370       28.04119 195.8000       47.58448 224.9650       34.70790 60.43474 8.259934 66.47185 5.380334 -6.037109      9.857714 
1 1 1 11  20 36 o 45.97025 6.913747 111.8469       30.14734 0.000000       0.000000 111.8469       30.14734 ?        ?        45.97025 6.913747 ?              ?        
1 1 1 11  20 37 o 36.18867 6.539821 69.81476       22.31326 40.90000       35.71300 88.32980       28.57780 27.96513 10.13339 40.33328 7.515106 -12.36815      12.61596 
1 1 1 11  20 38 o 31.00963 7.581465 53.06361       22.81631 4.470000       37.45755 81.72932       28.76943 21.78434 9.459304 38.49141 7.900844 -16.70707      12.32484 
1 1 1 11  20 39 o 27.60335 7.822737 42.33883       22.09809 39.57000       36.57669 43.93041       27.73129 27.51764 10.20810 28.01171 8.955038 -0.4940796     13.57932 
1 1 1 11  20 40 o 69.69239 4.860934 248.4171       32.95188 224.0000       45.85088 274.5000       47.38917 64.37508 7.411623 71.82331 6.822566 -7.448227      10.07371 
1 1 1 11  20 41 o 39.22993 6.348985 82.28914       23.54722 61.30000       36.90429 96.70218       30.58140 32.10011 10.33726 41.78321 7.763073 -9.683105      12.92766 
1 1 1 11  20 42 o 18.43984 8.149978 -1.632914      28.92401 -2.621000      33.69341 1.135000       56.39284 19.59487 8.720851 24.66622 11.10653 -5.071350      14.12120 
1 1 1 11  20 43 o 20.75317 7.722690 20.36188       20.96454 20.73000       33.87011 20.13326       26.69230 23.16140 9.453279 21.75199 8.555056 1.409414       12.74965 
1 1 1 11  20 44 o 28.94078 7.654201 47.61472       22.01227 40.06000       35.18587 52.47276       28.21563 26.91715 10.00707 29.85494 8.950089 -2.937788      13.42555 
1 1 1 11  20 45 o 20.21381 7.683160 18.84035       20.99195 8.018000       35.07185 24.88186       26.20417 21.11899 9.161864 22.54154 8.580325 -1.422550      12.55236 
1 1 1 11  20 46 o 52.48692 5.115884 144.0278       25.94999 107.1000       40.75824 169.2013       33.65202 41.47459 10.12873 56.09134 6.234482 -14.61674      11.89369 
1 1 1 11  20 47 o 39.26482 7.198308 86.13445       26.64640 76.01000       38.32343 95.61000       37.07497 34.58183 10.44499 39.53272 9.663736 -4.950893      14.22975 
1 1 1 11  20 48 o 22.33172 8.011966 26.42906       22.25849 12.60000       35.32115 35.53834       28.66688 21.71560 9.305197 25.17248 9.084671 -3.456886      13.00453 
1 1 1 11  20 49 o 16.16103 7.065240 0.5252586      21.19952 -19.85000      34.51289 12.87095       26.86504 17.43869 8.150953 20.00096 8.316419 -2.562273      11.64478 
1 1 1 11  20 50 o 43.51874 6.436330 103.4975       26.59122 124.0000       39.32761 86.23000       36.09173 45.45090 9.156795 37.16021 9.788293 8.290695       13.40364 
1 1 1 11  20 51 f 29.49212 9.386146 53.64743       30.49269 76.81000       37.80140 10.50000       51.59314 34.41822 10.36881 23.91367 10.70692 10.50455       14.90471 
1 1 1 11  20 52 o 19.79445 7.163319 20.02464       17.83865 -10.03421      24.23768 55.55045       26.34977 15.41940 7.073579 30.32609 8.524211 -14.90669      11.07690 
1 1 1 11  20 53 f 24.97753 6.985470 35.86141       17.74261 28.26926       23.66055 45.61571       26.81886 22.64463 8.241912 27.31727 8.813625 -4.672647      12.06686 
1 1 1 11  20 54 o 25.77485 8.679206 40.44075       25.91073 0.000000       0.000000 40.44075       25.91073 ?        ?        25.77485 8.679206 ?              ?        
1 1 1 11  21 0  f 225.5507 4.658449 2498.265       102.8470 2816.000       226.6841 2415.908       115.4089 237.9138 9.754776 221.6879 5.318522 16.22581       11.11046 
1 1 1 11  21 1  o 145.9211 4.953086 1047.308       70.64315 0.000000       0.000000 1047.308       70.64315 ?        ?        145.9211 4.953086 ?              ?        
1 1 1 11  21 2  o 208.0799 4.391312 2125.467       89.43974 2101.000       183.1924 2133.124       102.4844 205.6542 9.123177 208.3567 5.025092 -2.702515      10.41556 
1 1 1 11  21 3  o 251.1673 5.074340 3100.088       124.7524 3062.000       251.0619 3112.575       143.7557 247.8160 10.37305 251.5067 5.839415 -3.690750      11.90374 
1 1 1 11  21 4  o 58.51029 5.567235 169.8770       31.50060 159.5000       59.59674 173.9000       37.10779 55.55565 11.34351 59.05597 6.528263 -3.500320      13.08791 
1 1 1 11  21 5  o 131.9879 4.994283 857.2446       64.40643 711.0000       93.76200 987.9000       88.62389 119.6427 8.053261 141.4626 6.417051 -21.81986      10.29726 
1 1 1 11  21 6  o 125.5341 4.051021 774.1313       49.71224 868.5000       96.71163 740.2430       57.95488 132.3989 7.493150 122.6548 4.836725 9.744087       8.918588 
1 1 1 11  21 7  o 96.21980 4.028119 455.1363       37.85395 329.1000       72.12495 503.0525       44.47118 80.91412 9.273969 101.1122 4.504645 -20.19807      10.31011 
1 1 1 11  21 8  o 92.00346 3.808931 416.0270       34.22734 311.8000       68.57105 450.6125       39.50002 78.75945 9.059528 95.71236 4.226641 -16.95291      9.996977 
1 1 1 11  21 9  o 93.99117 3.689813 434.1016       33.88076 395.0000       66.22775 447.9626       39.43126 89.04171 7.673504 95.42279 4.232180 -6.381081      8.763219 
1 1 1 11  21 10 o 202.8148 4.320231 2020.274       85.76555 1812.000       164.3417 2098.229       100.5431 190.8177 8.822672 206.5724 4.972485 -15.75478      10.12745 
1 1 1 11  21 11 o 110.0710 3.727255 595.2592       40.09971 508.7000       73.70187 631.6575       47.79275 101.1223 7.499416 113.3165 4.316755 -12.19421      8.653069 
1 1 1 11  21 12 o 99.87428 3.169517 489.6922       30.94587 432.9000       68.32804 504.3475       34.70978 93.20377 7.554309 101.3248 3.504970 -8.121048      8.327809 
1 1 1 11  21 13 f 83.30730 3.214666 340.9339       26.16431 216.1000       58.81131 371.7384       29.21470 65.16508 9.499517 86.97212 3.438522 -21.80704      10.10269 
1 1 1 11  21 14 o 108.3215 3.180427 576.1130       33.68493 510.2000       72.11715 594.5060       38.09600 101.2098 7.329292 109.9962 3.542929 -8.786354      8.140692 
1 1 1 11  21 15 o 51.94660 3.520226 133.0832       17.79349 46.97000       48.41890 146.5285       19.13222 32.82988 11.81202 54.50916 3.606101 -21.67928      12.35021 
1 1 1 11  21 16 o 94.69297 3.134538 440.5135       29.01340 315.4000       61.68741 476.0510       32.87671 79.18108 8.071956 98.40800 3.418312 -19.22693      8.765919 
1 1 1 11  21 17 o 38.46424 4.051150 73.55550       15.02376 73.14000       45.90638 73.60534       15.89932 37.72646 11.43961 38.43963 4.299191 -0.7131729     12.22079 
1 1 1 11  21 18 o 83.91325 3.473848 346.5581       28.47131 0.000000       0.000000 346.5581       28.47131 ?        ?        83.91325 3.473848 ?              ?        
1 1 1 11  21 19 o 111.2176 3.649203 608.9170       39.67248 0.000000       0.000000 608.9170       39.67248 ?        ?        111.2176 3.649203 ?              ?        
1 1 1 11  21 20 o 69.39970 3.552395 237.5072       24.05126 0.000000       0.000000 237.5072       24.05126 ?        ?        69.39970 3.552395 ?              ?        
1 1 1 11  21 21 o 64.29032 3.722688 204.1709       23.32636 0.000000       0.000000 204.1709       23.32636 ?        ?        64.29032 3.722688 ?              ?        
1 1 1 11  21 22 o 41.42830 4.438988 85.72694       17.72029 98.88000       47.27612 83.57696       19.11378 42.90432 11.15500 40.81313 4.881224 2.091183       12.17622 
1 1 1 11  21 23 o 83.08345 3.292891 340.2505       26.72619 319.7000       57.65680 345.8745       30.16240 79.35165 7.512615 83.69263 3.690982 -4.340988      8.370348 
1 1 1 11  21 24 o 25.16862 6.894631 32.86211       17.48363 153.3000       45.96410 12.48873       18.90465 54.11186 8.993575 18.90643 7.265198 35.20543       11.56147 
1 1 1 11  21 25 o 113.6425 3.758292 638.3676       41.74839 625.3000       76.37652 643.9356       49.85564 111.0970 7.059984 113.9014 4.480505 -2.804398      8.361716 
1 1 1 11  21 26 o 79.53187 4.093194 313.8726       31.75750 287.4000       55.78811 326.5634       38.62677 74.78590 7.732462 80.89028 4.901496 -6.104378      9.155087 
1 1 1 11  21 27 o 98.95766 5.060303 489.3390       48.85261 553.1000       69.50913 427.1000       68.67448 104.3530 6.842793 91.16032 7.770323 13.19271       10.35383 
1 1 1 11  21 28 o 76.79729 4.227523 293.4974       31.65626 281.4000       55.86863 299.2180       38.41874 73.72197 7.863456 77.25329 5.109348 -3.531319      9.377600 
1 1 1 11  21 29 o 74.45792 4.184552 276.0795       30.37490 245.6000       53.69552 290.4230       36.83505 68.57975 8.158756 76.10796 4.971747 -7.528206      9.554243 
1 1 1 11  21 30 o 101.1857 3.972455 508.6848       39.26808 457.7000       65.70242 537.0173       48.97823 94.39458 7.164464 103.5968 4.843447 -9.202194      8.648035 
1 1 1 11  21 31 o 59.97099 4.649545 180.5555       27.08036 166.7000       47.42345 187.2594       32.98753 55.75786 8.995272 60.73905 5.611930 -4.981186      10.60230 
1 1 1 11  21 32 o 31.31944 5.968594 51.18882       17.62970 26.34859       23.51918 83.04622       26.63481 23.47388 8.254360 39.69117 7.117123 -16.21730      10.89899 
1 1 1 11  21 33 o 99.79758 3.327039 493.7872       32.45462 485.7710       43.84420 503.5034       48.26986 98.42789 4.563218 100.0038 4.946557 -1.575943      6.729887 
1 1 1 11  21 34 o 96.32780 3.851415 462.8834       36.24113 537.6000       60.55338 421.1826       45.23788 102.4198 6.067343 91.23820 5.085589 11.18160       7.916810 
1 1 1 11  21 35 o 57.30359 5.962906 169.7934       32.95754 0.000000       0.000000 169.7934       32.95754 ?        ?        57.30359 5.962906 ?              ?        
1 1 1 11  21 36 o 58.82997 3.758856 173.5769       21.53192 161.3154       27.86340 191.7536       33.92509 56.12490 5.128532 60.88729 5.760812 -4.762386      7.712899 
1 1 1 11  21 37 o 56.71512 3.830467 161.6833       21.13984 164.9805       27.75678 157.1292       32.62141 56.75193 5.049354 54.77194 6.193208 1.979988       7.990732 
1 1 1 11  21 38 o 13.02722 5.993583 -11.05641      17.57655 -34.29242      21.91511 30.84000       29.42737 12.09588 5.875234 24.86015 9.168186 -12.76427      10.88917 
1 1 1 11  21 39 o 29.00051 6.713653 45.89085       18.68108 28.18002       22.75553 82.50000       32.71617 23.32326 8.125138 37.88585 8.963203 -14.56259      12.09781 
1 1 1 11  21 40 o 52.66222 4.000869 140.3217       20.46905 95.62611       24.83775 234.9330       36.13698 42.44613 6.157741 67.28370 5.535936 -24.83757      8.280359 
1 1 1 11  21 41 o 25.94464 7.607641 37.56641       20.56852 38.65818       22.04396 30.22000       57.18242 26.26012 7.919616 27.93264 11.90084 -1.672525      14.29511 
1 1 1 11  21 42 o 39.58226 4.857393 81.27889       18.42552 42.59535       22.63391 157.2828       31.72594 27.38962 7.966219 54.48245 6.051045 -27.09283      10.00379 
1 1 1 11  21 43 o 15.72734 6.451072 6.462177       15.87099 6.069779       19.94556 7.139459       26.20400 16.98657 7.121910 18.99741 8.073723 -2.010839      10.76599 
1 1 1 11  21 44 o 12.02100 5.532056 -9.138273      14.98728 -7.294477      18.36327 -12.81664      25.93707 13.81578 6.267935 15.78351 7.268635 -1.967723      9.597919 
1 1 1 11  21 45 o 33.66901 5.253256 60.11103       16.74772 54.16070       20.62260 71.63672       28.70164 31.07912 6.953217 34.88128 8.488073 -3.802162      10.97245 
1 1 1 11  21 46 o 22.79299 6.658544 28.79065       15.78215 11.39283       19.12716 65.90034       27.93488 17.86915 7.171848 33.40995 8.517573 -15.54080      11.13483 
1 1 1 11  21 47 o 40.90612 8.129683 96.83073       31.40417 0.000000       0.000000 96.83073       31.40417 ?        ?        40.90612 8.129683 ?              ?        
1 1 1 11  21 48 o 22.77353 9.422174 20.78000       34.24426 0.000000       0.000000 20.78000       34.24426 ?        ?        22.77353 9.422174 ?              ?        
1 1 1 11  21 49 o 23.26895 9.493412 23.85000       34.14184 0.000000       0.000000 23.85000       34.14184 ?        ?        23.26895 9.493412 ?              ?        
1 1 1 11  21 50 o 32.21061 12.12959 71.77000       52.03590 0.000000       0.000000 71.77000       52.03590 ?        ?        32.21061 12.12959 ?              ?        
1 1 1 11  21 51 o 43.24031 7.526860 106.5753       30.70064 0.000000       0.000000 106.5753       30.70064 ?        ?        43.24031 7.526860 ?              ?        
1 1 1 11  21 52 o 33.43902 8.570546 67.96598       28.17920 0.000000       0.000000 67.96598       28.17920 ?        ?        33.43902 8.570546 ?              ?        
1 1 1 11  21 53 o 25.60380 8.697747 39.73976       26.02370 0.000000       0.000000 39.73976       26.02370 ?        ?        25.60380 8.697747 ?              ?        
1 1 1 11  22 0  o 194.0451 4.183488 1848.517       79.45979 1884.000       167.6920 1838.244       90.23276 194.6745 8.823229 193.4162 4.766121 1.258270       10.02822 
1 1 1 11  22 1  o 167.3438 4.413726 1376.243       72.23402 1736.000       147.8206 1263.389       82.79215 187.0831 8.091377 160.1849 5.287581 26.89821       9.665863 
1 1 1 11  22 2  o 126.2597 4.846262 784.6292       59.78202 853.9000       93.95116 737.5000       77.49469 131.2553 7.341985 122.1232 6.506355 9.132072       9.810066 
1 1 1 11  22 3  o 131.3920 3.892951 847.9867       50.01208 848.3000       95.57346 847.8686       58.68874 130.7788 7.497521 131.2926 4.573745 -0.5138550     8.782480 
1 1 1 11  22 4  o 155.9573 4.205855 1195.151       64.14602 1229.000       120.1046 1181.642       75.87375 157.3887 7.820641 154.9434 5.009372 2.445267       9.287423 
1 1 1 11  22 5  o 64.80009 4.219410 207.0639       26.61738 222.6000       58.31787 202.9758       29.91507 66.30378 9.236174 64.08245 4.804161 2.221329       10.41090 
1 1 1 11  22 6  o 258.0431 5.196403 3275.814       131.2506 3457.000       274.0757 3221.898       149.5089 262.6930 10.68126 255.6977 5.973572 6.995285       12.23817 
1 1 1 11  22 7  f 180.4956 4.646350 1602.318       82.02070 1835.000       156.9672 1514.924       96.19859 192.1294 8.366646 175.3018 5.613533 16.82756       10.07534 
1 1 1 11  22 8  o 40.41969 5.488062 81.89584       21.15254 163.6000       52.03411 65.72106       23.15182 56.50779 9.760279 35.89149 6.839667 20.61629       11.91822 
1 1 1 11  22 9  o 136.3773 3.990730 914.1096       53.21490 912.1000       98.76966 914.9315       63.16700 135.5133 7.475173 136.3204 4.741161 -0.8071594     8.851939 
1 1 1 11  22 10 o 148.0782 3.544887 1076.149       51.38066 1064.000       107.4820 1079.748       58.49758 146.3387 7.528920 148.2100 4.036068 -1.871307      8.542511 
1 1 1 11  22 11 o 43.25755 4.149829 92.78363       17.35582 6.844000       50.24563 104.4267       18.49417 26.84859 11.28320 45.91326 4.160306 -19.06466      12.02576 
1 1 1 11  22 12 o 76.32355 3.249217 286.3593       24.21857 208.5000       58.09732 302.7348       26.64398 63.88801 9.585772 78.45468 3.478204 -14.56667      10.19730 
1 1 1 11  22 13 o 71.79086 3.213159 253.4379       22.52193 227.9000       56.42762 258.2771       24.56327 67.00931 8.816706 72.44572 3.474041 -5.436409      9.476458 
1 1 1 11  22 14 o 125.7133 3.847346 777.4550       47.28653 730.2000       86.44184 797.6343       56.48775 121.0081 7.332403 127.2077 4.543943 -6.199638      8.626213 
1 1 1 11  22 15 o 123.4246 3.309146 748.5786       39.94218 566.9000       79.28949 810.3604       46.23748 106.4152 7.663443 128.3592 3.683922 -21.94397      8.502919 
1 1 1 11  22 16 f 61.41968 3.308199 185.8264       19.81526 135.9000       51.66626 194.4366       21.45598 50.85461 10.71788 62.80628 3.504002 -11.95167      11.27612 
1 1 1 11  22 17 o 100.9180 3.141097 500.7019       30.99040 452.8000       67.74751 513.3779       34.85041 94.99649 7.342797 102.1348 3.491137 -7.138283      8.130480 
1 1 1 11  22 18 o 82.40128 3.422889 334.4178       27.54776 0.000000       0.000000 334.4178       27.54776 ?        ?        82.40128 3.422889 ?              ?        
1 1 1 11  22 19 o 66.98402 3.914767 221.7783       25.55562 0.000000       0.000000 221.7783       25.55562 ?        ?        66.98402 3.914767 ?              ?        
1 1 1 11  22 20 o 122.4340 3.793557 739.2684       45.40780 0.000000       0.000000 739.2684       45.40780 ?        ?        122.4340 3.793557 ?              ?        
1 1 1 11  22 21 o 73.02233 3.626933 263.3468       25.84283 0.000000       0.000000 263.3468       25.84283 ?        ?        73.02233 3.626933 ?              ?        
1 1 1 11  22 22 o 38.13739 4.640933 73.04381       16.96831 26.75000       46.50387 80.15384       18.22483 28.41012 11.25514 39.95176 4.753477 -11.54164      12.21777 
1 1 1 11  22 23 o 61.63400 3.967331 188.4335       23.80741 87.19000       51.56957 215.8555       26.83859 40.07391 12.11908 65.93672 4.179914 -25.86281      12.81966 
1 1 1 11  22 24 o 115.2531 3.367961 655.5226       37.95420 739.7000       83.44311 633.5642       42.61800 120.7610 7.090433 113.1600 3.853258 7.601013       8.069811 
1 1 1 11  22 25 o 57.84247 6.706738 170.9084       37.26911 176.8000       52.89498 165.1000       52.51999 57.58975 9.729714 55.46756 10.04306 2.122192       13.98322 
1 1 1 11  22 26 o 48.23219 7.693625 121.3733       35.10291 145.1000       50.22196 98.71000       49.08363 51.71212 10.28403 42.12894 11.55678 9.583183       15.46998 
1 1 1 11  22 27 o 58.86753 4.819971 173.8318       27.53026 232.6000       52.24619 151.2420       32.39211 66.77088 8.163527 54.44696 6.187606 12.32392       10.24352 
1 1 1 11  22 28 o 78.01067 5.049108 305.4566       38.34739 0.000000       0.000000 305.4566       38.34739 ?        ?        78.01067 5.049108 ?              ?        
1 1 1 11  22 29 o 106.1681 3.976437 560.1052       41.25020 545.1000       71.95882 567.4495       50.34304 102.9983 7.182534 106.4766 4.843034 -3.478310      8.662781 
1 1 1 11  22 30 o 60.72846 3.710545 183.5083       21.95120 194.3123       30.03046 171.1122       32.16690 62.09629 4.982501 57.97023 5.744353 4.126068       7.604137 
1 1 1 11  22 31 o 85.82196 3.349368 365.0760       28.08231 385.1190       38.60701 342.5564       40.92286 87.70448 4.512328 82.44670 5.095820 5.257774       6.806503 
1 1 1 11  22 32 o 38.23113 5.261755 74.95486       19.16870 57.64768       25.81371 96.23001       28.62026 32.54715 8.127717 42.69519 7.097471 -10.14804      10.79045 
1 1 1 11  22 33 f 46.86942 4.375817 110.8973       19.84296 103.8407       26.10741 120.5497       30.53404 44.69581 6.128699 47.96035 6.685699 -3.264542      9.069703 
1 1 1 11  22 34 o 36.26412 5.279851 67.98363       18.19161 59.79778       23.62191 79.91431       28.51779 33.16314 7.458387 38.27240 7.875254 -5.109261      10.84653 
1 1 1 11  22 35 o 64.20161 3.571614 206.1693       22.35638 191.5403       28.98794 227.6430       35.12082 61.30950 4.870401 66.55323 5.438632 -5.243729      7.300652 
1 1 1 11  22 36 f 52.15322 3.901374 136.9867       19.77181 139.3097       25.33394 133.3672       31.62370 52.11913 5.028267 50.18321 6.597609 1.935925       8.295295 
1 1 1 11  22 37 o 31.29211 6.015796 52.22216       17.75694 32.66516       21.16229 98.75000       32.64135 24.55965 7.819694 42.09251 8.217400 -17.53286      11.34342 
1 1 1 11  22 38 o 13.23262 5.874054 -3.680334      15.18664 -16.66963      18.84477 20.38378       25.64974 12.75066 5.980101 21.80174 8.440094 -9.051080      10.34393 
1 1 1 11  22 39 o 27.20067 7.020867 40.81014       18.81938 43.72903       20.13510 20.64000       52.92963 28.07677 7.269874 26.42392 11.35793 1.652855       13.48531 
1 1 1 11  22 40 o 27.84460 9.274935 44.25197       29.59901 0.000000       0.000000 44.25197       29.59901 ?        ?        27.84460 9.274935 ?              ?        
1 1 1 11  22 41 o 27.25510 9.033555 42.42321       28.08662 0.000000       0.000000 42.42321       28.08662 ?        ?        27.25510 9.033555 ?              ?        
1 1 1 11  22 42 o 57.47429 5.968976 174.9709       33.09145 0.000000       0.000000 174.9709       33.09145 ?        ?        57.47429 5.968976 ?              ?        
1 1 1 11  22 43 o 21.63686 8.578366 20.22156       27.03382 0.000000       0.000000 20.22156       27.03382 ?        ?        21.63686 8.578366 ?              ?        
1 1 1 11  22 44 o 25.17025 8.932709 35.58836       27.59405 0.000000       0.000000 35.58836       27.59405 ?        ?        25.17025 8.932709 ?              ?        
1 1 1 11  22 45 o 41.20368 7.835102 96.88167       30.44543 0.000000       0.000000 96.88167       30.44543 ?        ?        41.20368 7.835102 ?              ?        
1 1 1 11  22 46 o 18.73735 8.027081 6.726869       26.27283 0.000000       0.000000 6.726869       26.27283 ?        ?        18.73735 8.027081 ?              ?        
1 1 1 11  22 47 o 22.93449 8.789880 26.62505       27.62222 0.000000       0.000000 26.62505       27.62222 ?        ?        22.93449 8.789880 ?              ?        
1 1 1 11  22 48 o 17.47459 8.041107 -12.05000      31.65563 0.000000       0.000000 -12.05000      31.65563 ?        ?        17.47459 8.041107 ?              ?        
1 1 1 11  22 49 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  22 50 o 17.83060 7.884025 0.4635805      27.09456 0.000000       0.000000 0.4635805      27.09456 ?        ?        17.83060 7.884025 ?              ?        
1 1 1 11  22 51 o 19.54543 8.142877 12.81971       25.82803 0.000000       0.000000 12.81971       25.82803 ?        ?        19.54543 8.142877 ?              ?        
1 1 1 11  22 52 o 21.20798 8.392547 21.56632       25.83006 0.000000       0.000000 21.56632       25.83006 ?        ?        21.20798 8.392547 ?              ?        
1 1 1 11  22 53 o 22.03335 8.444892 25.90978       25.49730 0.000000       0.000000 25.90978       25.49730 ?        ?        22.03335 8.444892 ?              ?        
1 1 1 11  23 0  o 39.94715 4.568854 79.44941       17.54388 4.160000       53.03900 88.69889       18.59033 27.21325 11.52259 42.23663 4.569347 -15.02338      12.39552 
1 1 1 11  23 1  o 135.1204 3.422399 896.3145       45.22806 1081.000       108.1107 857.1343       49.79494 147.5643 7.509511 132.0769 3.855826 15.48738       8.441573 
1 1 1 11  23 2  o 137.5917 3.960074 930.3683       53.27821 1027.000       105.8982 897.6199       61.64862 143.8040 7.549802 135.0368 4.671102 8.767120       8.877990 
1 1 1 11  23 3  o 201.7381 4.939147 2002.245       97.53175 2062.000       177.0872 1976.227       116.8512 203.3490 8.918592 200.0957 5.972765 3.253326       10.73384 
1 1 1 11  23 4  o 177.8640 5.559184 1560.213       96.66557 0.000000       0.000000 1560.213       96.66557 ?        ?        177.8640 5.559184 ?              ?        
1 1 1 11  23 5  o 150.0648 3.589648 1105.301       52.72749 1144.000       114.5297 1094.892       59.39650 151.6894 7.739167 149.2408 4.069797 2.448639       8.744024 
1 1 1 11  23 6  o 88.76449 3.890699 387.6891       33.72227 401.6000       68.29182 383.2034       38.78007 89.62264 7.864379 88.16750 4.508564 1.455147       9.065077 
1 1 1 11  23 7  o 27.65839 9.620713 34.54177       31.89728 112.7000       53.46941 -8.640000      39.74369 46.35487 11.76596 21.96939 9.637312 24.38548       15.20906 
1 1 1 11  23 8  o 133.6209 3.897911 877.8311       50.92700 924.5000       98.92754 861.0041       59.40285 136.3199 7.442215 132.2148 4.597081 4.105057       8.747555 
1 1 1 11  23 9  o 19.93315 8.722235 -6.489709      32.37369 -36.32000      51.26262 13.30000       41.75340 22.25190 10.23699 25.67265 10.48920 -3.420748      14.65671 
1 1 1 11  23 10 o 186.3763 4.069273 1707.719       74.23587 1579.000       147.2951 1751.547       85.95028 177.6874 8.493463 188.6219 4.655315 -10.93445      9.685601 
1 1 1 11  23 11 o 43.77004 4.097480 95.02724       17.35090 9.352000       51.08904 106.1976       18.44737 27.29144 11.41727 46.28973 4.114215 -18.99829      12.13593 
1 1 1 11  23 12 o 66.47531 3.345672 217.5484       21.69959 125.6000       56.38886 233.5316       23.51007 48.68929 11.92760 68.86147 3.499433 -20.17218      12.43035 
1 1 1 11  23 13 o 110.2372 3.778461 598.1805       40.71055 504.5000       76.51482 635.1724       48.08109 100.2454 7.860681 113.4967 4.335949 -13.25136      8.977236 
1 1 1 11  23 14 o 115.8657 3.240923 659.9423       36.72002 681.8000       82.24788 654.5010       41.03685 116.7601 7.232047 115.3201 3.640046 1.439911       8.096446 
1 1 1 11  23 15 o 79.28398 3.165692 309.2828       24.51807 235.8000       60.40091 323.7794       26.82773 67.73671 9.359758 81.09296 3.387287 -13.35625      9.953833 
1 1 1 11  23 16 o 104.0080 3.198005 532.1235       32.51889 413.9000       70.87035 563.6530       36.59921 90.43725 8.091312 106.9950 3.499343 -16.55775      8.815597 
1 1 1 11  23 17 o 45.01352 3.816322 100.4975       16.65657 46.32000       50.93176 106.9859       17.62578 32.66739 12.05904 46.43838 3.914021 -13.77098      12.67832 
1 1 1 11  23 18 o 88.86282 3.446294 389.2053       29.91951 0.000000       0.000000 389.2053       29.91951 ?        ?        88.86282 3.446294 ?              ?        
1 1 1 11  23 19 o 56.81182 3.712575 159.7328       20.53214 0.000000       0.000000 159.7328       20.53214 ?        ?        56.81182 3.712575 ?              ?        
1 1 1 11  23 20 f 40.60736 4.253509 82.35833       16.65612 0.000000       0.000000 82.35833       16.65612 ?        ?        40.60736 4.253509 ?              ?        
1 1 1 11  23 21 o 83.57690 3.579331 345.0716       29.21376 0.000000       0.000000 345.0716       29.21376 ?        ?        83.57690 3.579331 ?              ?        
1 1 1 11  23 22 o 157.9402 5.147482 1243.138       79.47182 0.000000       0.000000 1243.138       79.47182 ?        ?        157.9402 5.147482 ?              ?        
1 1 1 11  23 23 o 15.55465 6.432772 3.857729       15.95261 0.000000       0.000000 3.857729       15.95261 ?        ?        15.55465 6.432772 ?              ?        
1 1 1 11  23 24 o 91.36687 4.133815 414.4777       36.87395 496.9000       68.68197 381.0993       43.70718 98.69845 7.157931 87.26114 5.139885 11.43731       8.812173 
1 1 1 11  23 25 o 26.42961 9.678219 31.45475       32.69874 51.87000       46.28304 11.11000       46.20307 32.35056 11.55940 25.61801 10.79601 6.732550       15.81688 
1 1 1 11  23 26 o 84.41134 4.136158 354.4423       34.07060 421.8000       62.47392 325.9288       40.64716 90.73391 7.090604 80.56475 5.181888 10.16916       8.782290 
1 1 1 11  23 27 o 71.19204 3.613625 251.4869       25.09909 228.2000       54.36414 257.7952       28.29520 65.72431 8.661044 71.96185 4.033161 -6.237534      9.554061 
1 1 1 11  23 28 o 72.65919 3.552610 261.9442       25.18986 315.3000       55.87320 248.3327       28.22062 78.04683 7.402268 70.58091 4.102504 7.465919       8.463103 
1 1 1 11  23 29 o 82.89863 3.446348 340.8051       27.90387 318.9000       56.56573 347.8499       32.07860 78.31710 7.469237 83.58820 3.931724 -5.271095      8.440851 
1 1 1 11  23 30 o 41.51527 4.783514 87.38622       19.08348 80.46732       25.15023 96.77573       29.29845 39.13603 6.812723 42.82866 7.247039 -3.692627      9.946495 
1 1 1 11  23 31 o 30.33380 6.199349 48.52750       17.78462 52.78605       23.73177 43.07214       26.86030 31.19601 7.794641 28.28601 8.782997 2.910002       11.74298 
1 1 1 11  23 32 o 65.25838 5.496852 217.6243       34.78595 0.000000       0.000000 217.6243       34.78595 ?        ?        65.25838 5.496852 ?              ?        
1 1 1 11  23 33 o 14.89502 6.317671 1.934687       15.99049 -0.1361521     20.21728 5.394545       26.13236 16.11478 6.973602 19.11016 8.089637 -2.995382      10.68051 
1 1 1 11  23 34 o 45.99771 6.935222 112.9672       30.25529 0.000000       0.000000 112.9672       30.25529 ?        ?        45.99771 6.935222 ?              ?        
1 1 1 11  23 35 o 19.81370 8.181636 10.41745       25.75230 0.000000       0.000000 10.41745       25.75230 ?        ?        19.81370 8.181636 ?              ?        
1 1 1 11  23 36 o 18.14011 8.094107 -5.165000      29.21746 0.000000       0.000000 -5.165000      29.21746 ?        ?        18.14011 8.094107 ?              ?        
1 1 1 11  23 37 o 50.93576 6.708374 138.6849       32.63390 0.000000       0.000000 138.6849       32.63390 ?        ?        50.93576 6.708374 ?              ?        
1 1 1 11  23 38 o 64.17287 10.13506 241.4000       61.55149 0.000000       0.000000 241.4000       61.55149 ?        ?        64.17287 10.13506 ?              ?        
1 1 1 11  23 39 o 28.14628 9.016152 45.50185       28.10047 0.000000       0.000000 45.50185       28.10047 ?        ?        28.14628 9.016152 ?              ?        
1 1 1 11  23 40 o 32.68229 8.869221 62.63913       29.09098 0.000000       0.000000 62.63913       29.09098 ?        ?        32.68229 8.869221 ?              ?        
1 1 1 11  23 41 o 76.39697 5.317870 303.5327       39.51849 0.000000       0.000000 303.5327       39.51849 ?        ?        76.39697 5.317870 ?              ?        
1 1 1 11  23 42 o 29.94519 8.857631 53.24938       27.78119 0.000000       0.000000 53.24938       27.78119 ?        ?        29.94519 8.857631 ?              ?        
1 1 1 11  23 43 o 30.62852 9.097026 56.57491       29.25468 0.000000       0.000000 56.57491       29.25468 ?        ?        30.62852 9.097026 ?              ?        
1 1 1 11  23 44 f 23.81657 8.954137 29.85014       28.33171 0.000000       0.000000 29.85014       28.33171 ?        ?        23.81657 8.954137 ?              ?        
1 1 1 11  23 45 o 13.23402 6.407870 -34.62547      25.54056 0.000000       0.000000 -34.62547      25.54056 ?        ?        13.23402 6.407870 ?              ?        
1 1 1 11  23 46 o 24.18621 8.856652 32.17860       27.38282 0.000000       0.000000 32.17860       27.38282 ?        ?        24.18621 8.856652 ?              ?        
1 1 1 11  23 47 o 39.37940 9.629988 96.13000       36.80568 0.000000       0.000000 96.13000       36.80568 ?        ?        39.37940 9.629988 ?              ?        
1 1 1 11  23 48 o 29.38906 11.86438 53.74000       52.67579 0.000000       0.000000 53.74000       52.67579 ?        ?        29.38906 11.86438 ?              ?        
1 1 1 11  23 49 o 26.57084 9.158517 42.25268       28.87785 0.000000       0.000000 42.25268       28.87785 ?        ?        26.57084 9.158517 ?              ?        
1 1 1 11  23 50 o 28.53341 9.911252 51.48000       33.84706 0.000000       0.000000 51.48000       33.84706 ?        ?        28.53341 9.911252 ?              ?        
1 1 1 11  23 51 o 19.82370 8.189343 14.81280       25.81607 0.000000       0.000000 14.81280       25.81607 ?        ?        19.82370 8.189343 ?              ?        
1 1 1 11  23 52 o 21.08966 8.266689 22.13836       24.85131 0.000000       0.000000 22.13836       24.85131 ?        ?        21.08966 8.266689 ?              ?        
1 1 1 11  24 0  o 120.7611 3.799616 717.0388       44.85720 753.0000       89.19412 704.8640       51.89794 122.9619 7.445595 119.6293 4.439770 3.332596       8.668820 
1 1 1 11  24 1  o 68.94397 4.727929 235.0361       31.71294 294.6000       61.85920 213.8000       36.93608 76.46542 8.403131 65.56175 5.815927 10.90366       10.21947 
1 1 1 11  24 2  o 86.20882 3.794327 365.7788       31.93946 428.6000       68.92715 348.6015       36.04255 92.57768 7.675301 84.07470 4.394957 8.502983       8.844540 
1 1 1 11  24 3  o 76.88878 3.264990 290.6631       24.51666 315.8000       64.01910 286.3430       26.53992 79.18363 8.387129 76.28067 3.564358 2.902962       9.113100 
1 1 1 11  24 4  o 68.29743 5.711556 231.8456       37.83324 343.1000       62.49947 167.5000       47.53103 82.70484 7.812993 57.30310 8.751161 25.40174       11.73140 
1 1 1 11  24 5  o 131.7954 4.006516 854.6517       51.62605 912.2000       98.02946 832.5652       60.73013 135.3032 7.430411 129.9326 4.783234 5.370514       8.836874 
1 1 1 11  24 6  o 62.98425 3.487900 195.4115       21.41919 171.0000       55.85879 199.6196       23.19197 57.45092 10.31211 63.63044 3.740123 -6.179520      10.96942 
1 1 1 11  24 7  o 63.80939 3.440705 200.5382       21.41061 151.9000       56.10819 208.8277       23.16339 53.85804 11.01499 65.09330 3.650084 -11.23526      11.60401 
1 1 1 11  24 8  o 124.0447 3.348210 756.1783       40.61626 594.0000       82.81346 807.5458       46.60678 108.8945 7.821523 128.1306 3.720062 -19.23611      8.661125 
1 1 1 11  24 9  o 127.1423 3.339410 794.4708       41.52310 767.5000       90.61381 801.6396       46.71673 123.9161 7.505882 127.6467 3.743053 -3.730606      8.387413 
1 1 1 11  24 10 o 58.98542 4.985283 172.8814       28.51406 65.36000       56.45715 209.7000       33.03732 36.97011 12.80275 64.95601 5.240574 -27.98590      13.83380 
1 1 1 11  24 11 o 57.23938 3.539992 161.6652       19.73663 90.10000       56.57816 171.5804       21.05953 41.52217 12.72169 58.95789 3.667383 -17.43572      13.23975 
1 1 1 11  24 12 o 59.56387 3.471699 175.0042       20.15323 98.97000       56.96342 185.8830       21.54679 43.18681 12.65952 61.37541 3.602432 -18.18859      13.16211 
1 1 1 11  24 13 o 39.18167 4.438571 76.66942       16.72337 -72.49000      54.19597 92.36653       17.58132 20.05194 9.613321 43.08799 4.222754 -23.03605      10.49989 
1 1 1 11  24 14 o 33.98670 4.724105 58.12890       15.29147 -5.415000      51.95189 64.15624       16.00026 25.40615 11.08453 35.74305 4.686048 -10.33690      12.03436 
1 1 1 11  24 15 o 87.33566 3.154442 375.4689       26.92195 329.3000       66.61075 384.4831       29.43303 80.27502 8.611767 88.33639 3.410404 -8.061363      9.262471 
1 1 1 11  24 16 o 38.40992 4.173613 73.64855       15.43944 71.24000       53.48191 73.86753       16.12601 37.35125 12.46799 38.43274 4.363828 -1.081493      13.20961 
1 1 1 11  24 17 o 41.91500 3.867682 87.36855       15.68930 85.97000       51.44993 87.51194       16.47395 40.05578 12.10317 41.91483 4.066385 -1.859055      12.76802 
1 1 1 11  24 18 f 84.10905 3.481042 349.1237       28.59687 0.000000       0.000000 349.1237       28.59687 ?        ?        84.10905 3.481042 ?              ?        
1 1 1 11  24 19 o 35.57404 4.600577 63.71593       15.64484 0.000000       0.000000 63.71593       15.64484 ?        ?        35.57404 4.600577 ?              ?        
1 1 1 11  24 20 o 31.96709 5.482594 52.33813       16.53790 0.000000       0.000000 52.33813       16.53790 ?        ?        31.96709 5.482594 ?              ?        
1 1 1 11  24 21 o 114.0392 4.324099 645.5699       48.18018 0.000000       0.000000 645.5699       48.18018 ?        ?        114.0392 4.324099 ?              ?        
1 1 1 11  24 22 o 50.52646 5.559227 129.1673       27.04035 50.98000       51.11791 159.5464       31.86338 32.83283 12.08786 56.11007 5.889225 -23.27724      13.44616 
1 1 1 11  24 23 o 20.56283 8.889640 -0.3808696     32.78806 5.596000       48.73602 -5.323000      44.31699 25.46345 10.92111 23.04592 10.14086 2.417530       14.90328 
1 1 1 11  24 24 o 85.46973 5.505384 367.7535       45.81314 391.9000       65.62605 344.8000       63.98428 87.06387 7.782721 81.42624 8.136766 5.637627       11.25956 
1 1 1 11  24 25 o 84.87086 4.315954 359.0538       35.73662 313.2000       63.17300 380.6331       43.33734 77.25856 8.493624 87.07780 5.106922 -9.819244      9.910717 
1 1 1 11  24 26 o 67.05740 3.684576 223.3899       24.09174 245.5000       56.59105 218.4958       26.62492 68.13261 8.682672 66.19082 4.130035 1.941788       9.614883 
1 1 1 11  24 27 o 41.28658 5.090482 86.65701       20.13674 64.13000       47.45324 91.60439       22.23829 34.44956 11.74435 42.33907 5.495583 -7.889507      12.96654 
1 1 1 11  24 28 o 71.02444 3.626570 250.7733       25.12870 297.8000       54.26491 237.9362       28.35175 75.63317 7.425558 68.98859 4.218693 6.644585       8.540274 
1 1 1 11  24 29 o 47.64785 5.455948 115.9762       24.98767 124.1000       45.20515 112.4019       29.98499 47.13973 10.10091 46.37298 6.808536 0.7667503      12.18132 
1 1 1 11  24 30 o 62.27773 3.633960 193.4063       22.05608 195.1926       28.90456 190.9163       34.12559 62.14656 4.788537 61.02194 5.782298 1.124619       7.507666 
1 1 1 11  24 31 o 38.61990 8.033516 81.42548       29.37800 0.000000       0.000000 81.42548       29.37800 ?        ?        38.61990 8.033516 ?              ?        
1 1 1 11  24 32 o 27.31581 8.985004 40.39617       27.80279 0.000000       0.000000 40.39617       27.80279 ?        ?        27.31581 8.985004 ?              ?        
1 1 1 11  24 33 o 45.34362 7.095201 110.3700       30.45936 0.000000       0.000000 110.3700       30.45936 ?        ?        45.34362 7.095201 ?              ?        
1 1 1 11  24 34 f 29.53728 8.729460 49.29381       26.99252 0.000000       0.000000 49.29381       26.99252 ?        ?        29.53728 8.729460 ?              ?        
1 1 1 11  24 35 o 17.61975 7.879256 -5.743000      27.84855 0.000000       0.000000 -5.743000      27.84855 ?        ?        17.61975 7.879256 ?              ?        
1 1 1 11  24 36 o 29.03673 8.833749 48.15177       27.34339 0.000000       0.000000 48.15177       27.34339 ?        ?        29.03673 8.833749 ?              ?        
1 1 1 11  24 37 o 39.98922 12.67811 105.7000       55.67801 0.000000       0.000000 105.7000       55.67801 ?        ?        39.98922 12.67811 ?              ?        
1 1 1 11  24 38 o 36.46502 8.435981 76.35201       29.51193 0.000000       0.000000 76.35201       29.51193 ?        ?        36.46502 8.435981 ?              ?        
1 1 1 11  24 39 o 14.15429 6.714237 -24.61666      25.01817 0.000000       0.000000 -24.61666      25.01817 ?        ?        14.15429 6.714237 ?              ?        
1 1 1 11  24 40 o 24.46627 8.804105 32.10301       26.90020 0.000000       0.000000 32.10301       26.90020 ?        ?        24.46627 8.804105 ?              ?        
1 1 1 11  24 41 o 20.15697 8.312726 13.47559       26.53853 0.000000       0.000000 13.47559       26.53853 ?        ?        20.15697 8.312726 ?              ?        
1 1 1 11  24 42 o 29.32277 9.010449 51.54988       28.35648 0.000000       0.000000 51.54988       28.35648 ?        ?        29.32277 9.010449 ?              ?        
1 1 1 11  24 43 f 14.66312 6.913503 -21.20451      25.77942 0.000000       0.000000 -21.20451      25.77942 ?        ?        14.66312 6.913503 ?              ?        
1 1 1 11  24 44 o 18.84545 8.071905 7.009777       26.55809 0.000000       0.000000 7.009777       26.55809 ?        ?        18.84545 8.071905 ?              ?        
1 1 1 11  24 45 o 71.08171 5.622666 267.8167       38.80225 0.000000       0.000000 267.8167       38.80225 ?        ?        71.08171 5.622666 ?              ?        
1 1 1 11  24 46 o 44.66702 8.956558 119.4000       37.79503 0.000000       0.000000 119.4000       37.79503 ?        ?        44.66702 8.956558 ?              ?        
1 1 1 11  24 47 o 31.71537 12.22614 68.97000       53.65677 0.000000       0.000000 68.97000       53.65677 ?        ?        31.71537 12.22614 ?              ?        
1 1 1 11  24 48 o 20.98505 8.510945 18.38920       27.24873 0.000000       0.000000 18.38920       27.24873 ?        ?        20.98505 8.510945 ?              ?        
1 1 1 11  24 49 o 25.80016 9.092873 39.67266       28.55196 0.000000       0.000000 39.67266       28.55196 ?        ?        25.80016 9.092873 ?              ?        
1 1 1 11  24 50 o 42.70363 7.609365 105.7361       30.64033 0.000000       0.000000 105.7361       30.64033 ?        ?        42.70363 7.609365 ?              ?        
1 1 1 11  24 51 o 16.47715 7.575445 -9.132000      28.00933 0.000000       0.000000 -9.132000      28.00933 ?        ?        16.47715 7.575445 ?              ?        
1 1 1 11  25 0  o 290.7526 8.263325 4229.380       234.9329 4774.000       363.0450 3837.000       308.1533 305.0739 12.18213 274.1353 11.50967 30.93860       16.75938 
1 1 1 11  25 1  o 139.2451 3.492403 953.1812       47.56282 963.8000       103.1856 950.3163       53.59621 138.8664 7.620501 138.9503 3.944647 -0.8389282E-01 8.580925 
1 1 1 11  25 2  o 108.6724 4.763215 583.2473       50.54396 515.2000       76.60883 635.7000       67.26008 101.3474 7.782079 113.1438 6.095747 -11.79642      9.885285 
1 1 1 11  25 3  o 175.7875 4.581385 1523.625       78.76273 1502.000       140.3547 1533.565       95.15842 173.0776 8.309031 176.0640 5.528522 -2.986450      9.980207 
1 1 1 11  25 4  o 74.35408 4.028431 272.8085       29.20936 235.2000       60.59829 284.1910       33.33784 67.75928 9.388558 75.81596 4.512737 -8.056671      10.41681 
1 1 1 11  25 5  o 113.4252 3.241099 632.4003       35.94700 651.3000       81.67406 627.8596       40.03296 114.0932 7.352522 112.9551 3.625504 1.138107       8.197796 
1 1 1 11  25 6  o 87.28969 3.608536 375.2411       30.76541 327.4000       64.60688 389.2709       34.98692 80.42086 8.327737 88.84113 4.033853 -8.420265      9.253279 
1 1 1 11  25 7  o 143.6478 3.517314 1014.435       49.45571 976.8000       104.8724 1025.198       56.08347 139.5769 7.706021 144.2646 3.975422 -4.687683      8.671028 
1 1 1 11  25 8  o 57.31081 3.573733 162.1430       19.94794 77.04000       56.54544 174.2396       21.31857 38.96937 12.81342 59.40251 3.684600 -20.43314      13.33267 
1 1 1 11  25 9  o 99.07440 3.162685 482.7737       30.63140 486.0000       74.25044 482.1120       33.62619 98.19810 7.788598 98.95563 3.477014 -0.7575226     8.529471 
1 1 1 11  25 10 o 109.9313 3.197975 594.4585       34.37485 651.9000       82.16947 582.2731       37.84568 113.8966 7.410680 108.7318 3.560736 5.164841       8.221741 
1 1 1 11  25 11 o 67.33631 3.332236 223.5203       21.89475 167.6000       59.44181 232.2982       23.55056 56.13503 11.21079 68.62096 3.517954 -12.48593      11.74980 
1 1 1 11  25 12 o 97.63391 4.393855 471.5776       41.88306 501.6000       74.12992 457.5000       50.76155 99.63726 7.659654 95.89175 5.430327 3.745506       9.389289 
1 1 1 11  25 13 o 47.14315 3.923445 110.3206       17.94079 83.47000       54.81273 113.5424       18.98663 39.76931 12.57558 47.80123 4.097397 -8.031925      13.22626 
1 1 1 11  25 14 o 78.13254 3.249676 300.9018       24.79871 246.5000       63.49567 310.6935       26.93818 68.75271 9.704718 79.35558 3.476480 -10.60287      10.30861 
1 1 1 11  25 15 o 46.73550 3.827410 108.4437       17.35563 148.6000       55.93297 104.1655       18.25677 52.48224 11.22756 45.74550 4.121416 6.736740       11.96010 
1 1 1 11  25 16 f 72.82641 3.271142 261.6771       23.25865 219.6000       61.92089 268.5890       25.09635 64.47038 10.14730 73.74375 3.486670 -9.273369      10.72962 
1 1 1 11  25 17 o 56.18940 3.446657 156.2178       18.86531 135.3000       58.09538 158.6836       19.94627 49.49724 12.09535 56.60145 3.619172 -7.104206      12.62521 
1 1 1 11  25 18 o 54.68169 3.571651 148.1880       19.01226 35.03000       56.59864 162.5805       20.18516 31.19627 12.39816 57.27689 3.618866 -26.08061      12.91552 
1 1 1 11  25 19 o 77.83315 3.904015 300.3670       29.64787 0.000000       0.000000 300.3670       29.64787 ?        ?        77.83315 3.904015 ?              ?        
1 1 1 11  25 20 o 19.10132 6.573909 16.97467       14.87669 0.000000       0.000000 16.97467       14.87669 ?        ?        19.10132 6.573909 ?              ?        
1 1 1 11  25 21 o 64.16969 3.532955 204.0539       22.10524 83.72000       59.80531 223.0952       23.78997 39.13914 13.18593 67.08113 3.636759 -27.94199      13.67826 
1 1 1 11  25 22 o 64.14413 4.047588 204.8318       25.28362 215.3000       57.19646 202.2895       28.18715 63.49458 9.493980 63.59967 4.558052 -0.1050949     10.53145 
1 1 1 11  25 23 o 64.56392 6.490452 213.2198       40.46179 223.1000       58.07535 203.9000       56.40446 64.56607 9.470681 61.56594 9.678859 3.000130       13.54157 
1 1 1 11  25 24 o 71.78319 4.586371 257.9000       32.05682 207.4000       57.87547 280.2503       38.50263 61.88638 9.886722 74.56528 5.310053 -12.67889      11.22247 
1 1 1 11  25 25 o 80.99834 3.445690 325.2033       27.25620 291.7000       59.49163 334.1040       30.66373 74.48209 8.301059 81.97938 3.831930 -7.497284      9.142826 
1 1 1 11  25 26 o 86.16835 3.392363 368.1010       28.55662 432.2000       62.50542 351.1925       32.10285 91.51723 7.031506 83.98401 3.915959 7.533218       8.048404 
1 1 1 11  25 27 o 41.57411 5.014748 87.94795       19.99523 138.5000       44.46552 75.13477       22.38631 50.32802 9.370990 37.98389 6.237427 12.34413       11.25704 
1 1 1 11  25 28 o 32.72208 6.210947 56.27007       19.16578 30.81000       39.56672 64.07526       21.90746 26.94988 10.46898 34.80891 6.672526 -7.859035      12.41459 
1 1 1 11  25 29 o 49.46497 5.227240 124.9967       24.92670 96.65000       41.87956 140.5482       31.01964 41.03655 10.41134 52.05264 6.210558 -11.01609      12.12300 
1 1 1 11  25 30 f 38.72466 7.930905 81.91187       29.04963 0.000000       0.000000 81.91187       29.04963 ?        ?        38.72466 7.930905 ?              ?        
1 1 1 11  25 31 o 28.41352 9.000599 44.70724       28.06707 0.000000       0.000000 44.70724       28.06707 ?        ?        28.41352 9.000599 ?              ?        
1 1 1 11  25 32 o 36.85578 8.204577 75.84013       28.83711 0.000000       0.000000 75.84013       28.83711 ?        ?        36.85578 8.204577 ?              ?        
1 1 1 11  25 33 o 66.26843 5.615624 227.4337       36.08331 0.000000       0.000000 227.4337       36.08331 ?        ?        66.26843 5.615624 ?              ?        
1 1 1 11  25 34 o 48.94466 7.870131 132.0000       36.42654 0.000000       0.000000 132.0000       36.42654 ?        ?        48.94466 7.870131 ?              ?        
1 1 1 11  25 35 o 16.55599 7.456960 -7.374476      25.44269 0.000000       0.000000 -7.374476      25.44269 ?        ?        16.55599 7.456960 ?              ?        
1 1 1 11  25 36 o 35.96120 12.59293 84.13000       54.70244 0.000000       0.000000 84.13000       54.70244 ?        ?        35.96120 12.59293 ?              ?        
1 1 1 11  25 37 o 33.06358 8.851187 63.93688       29.21248 0.000000       0.000000 63.93688       29.21248 ?        ?        33.06358 8.851187 ?              ?        
1 1 1 11  25 38 o 35.35465 8.508447 72.52095       29.08669 0.000000       0.000000 72.52095       29.08669 ?        ?        35.35465 8.508447 ?              ?        
1 1 1 11  25 39 o 22.63248 8.684024 24.41234       26.98175 0.000000       0.000000 24.41234       26.98175 ?        ?        22.63248 8.684024 ?              ?        
1 1 1 11  25 40 o 16.65137 7.495007 -5.680416      25.65519 0.000000       0.000000 -5.680416      25.65519 ?        ?        16.65137 7.495007 ?              ?        
1 1 1 11  25 41 o 26.12426 8.942640 39.52849       27.51870 0.000000       0.000000 39.52849       27.51870 ?        ?        26.12426 8.942640 ?              ?        
1 1 1 11  25 42 o 33.31768 8.745346 66.59047       28.87594 0.000000       0.000000 66.59047       28.87594 ?        ?        33.31768 8.745346 ?              ?        
1 1 1 11  25 43 o 44.86187 7.391260 113.3547       31.32720 0.000000       0.000000 113.3547       31.32720 ?        ?        44.86187 7.391260 ?              ?        
1 1 1 11  25 44 o 22.79388 9.192199 23.50000       31.58307 0.000000       0.000000 23.50000       31.58307 ?        ?        22.79388 9.192199 ?              ?        
1 1 1 11  25 45 o 22.12955 8.718281 23.14761       27.76180 0.000000       0.000000 23.14761       27.76180 ?        ?        22.12955 8.718281 ?              ?        
1 1 1 11  25 46 o 28.83527 11.86037 49.79000       53.83672 0.000000       0.000000 49.79000       53.83672 ?        ?        28.83527 11.86037 ?              ?        
1 1 1 11  25 47 o 18.50050 7.957504 6.603757       26.01404 0.000000       0.000000 6.603757       26.01404 ?        ?        18.50050 7.957504 ?              ?        
1 1 1 11  25 48 o 29.11949 8.981979 52.34274       28.14512 0.000000       0.000000 52.34274       28.14512 ?        ?        29.11949 8.981979 ?              ?        
1 1 1 11  25 49 o 18.17334 7.969116 3.723553       27.15258 0.000000       0.000000 3.723553       27.15258 ?        ?        18.17334 7.969116 ?              ?        
1 1 1 11  25 50 o 29.11348 8.950474 53.68877       27.97606 0.000000       0.000000 53.68877       27.97606 ?        ?        29.11348 8.950474 ?              ?        
1 1 1 11  26 0  o 32.90294 6.053882 55.37987       18.77908 29.30000       52.43122 59.21781       20.11345 30.23301 11.95928 34.00568 6.273746 -3.772669      13.50497 
1 1 1 11  26 1  o 71.06672 3.935531 249.4419       27.26946 205.7000       60.65052 260.5251       30.52933 62.83973 10.21057 72.56710 4.317567 -9.727367      11.08590 
1 1 1 11  26 2  o 147.4492 4.190507 1072.386       60.41914 1156.000       115.6686 1041.012       70.85351 151.6539 7.818516 145.0360 4.998374 6.617889       9.279705 
1 1 1 11  26 3  o 46.54819 5.227582 108.5210       23.40709 178.1000       55.24820 93.29949       25.84089 58.41501 10.02323 42.87194 6.349529 15.54307       11.86514 
1 1 1 11  26 4  o 65.79589 3.440364 213.4899       22.07994 210.1000       59.31933 214.0351       23.78935 63.59381 9.847672 65.84015 3.706317 -2.246338      10.52204 
1 1 1 11  26 5  o 71.42562 3.937819 252.0771       27.42408 327.2000       62.70797 234.3114       30.49489 80.28152 8.090186 68.74183 4.557842 11.53969       9.285744 
1 1 1 11  26 6  o 69.35094 3.343630 237.0789       22.63056 232.4000       60.21461 237.8485       24.42091 67.03903 9.437155 69.42336 3.606129 -2.384323      10.10268 
1 1 1 11  26 7  o 122.3225 3.338157 736.5163       39.93128 730.3000       89.71684 738.0519       44.59154 120.3524 7.655436 122.3638 3.727348 -2.011391      8.514624 
1 1 1 11  26 8  o 27.62625 5.883660 39.35069       15.42235 9.421000       51.27242 42.32799       16.17125 27.02460 11.37993 28.66024 5.959001 -1.635641      12.84572 
1 1 1 11  26 9  o 23.43151 6.433122 28.27365       15.20191 -37.43000      51.44769 34.55902       15.91243 21.92746 10.14736 25.82031 6.342675 -3.892857      11.96655 
1 1 1 11  26 10 o 95.98132 3.245245 453.7759       30.44496 386.0000       71.45100 468.8108       33.65281 86.86369 8.512758 97.50298 3.531957 -10.63928      9.216386 
1 1 1 11  26 11 o 34.90438 4.812911 61.44513       16.00627 85.06000       53.15435 59.09024       16.78538 39.89452 12.35009 34.13630 5.186488 5.758228       13.39494 
1 1 1 11  26 12 o 37.55252 4.560526 70.78702       16.42011 0.5048000      52.99884 78.24963       17.26987 26.15250 11.30412 39.51127 4.548296 -13.35878      12.18483 
1 1 1 11  26 13 o 35.11207 4.882701 62.28231       16.32778 21.58000       53.69137 66.43002       17.13952 28.96831 11.87194 36.26591 4.957972 -7.297609      12.86563 
1 1 1 11  26 14 o 36.48072 5.465975 67.69516       18.91780 80.62000       53.82490 65.87352       20.20702 38.81322 12.48275 35.85180 5.967876 2.961422       13.83599 
1 1 1 11  26 15 o 116.3048 3.332288 667.3194       37.89644 669.3000       86.43561 666.8480       42.16513 114.4983 7.758177 116.1523 3.713451 -1.654022      8.601106 
1 1 1 11  26 16 o 118.3448 3.340771 691.2498       38.66050 670.6000       87.49166 696.2601       43.09613 114.4133 7.860147 118.6557 3.715171 -4.242416      8.693929 
1 1 1 11  26 17 o 88.99470 3.238492 391.0294       28.16361 321.6000       69.05375 404.8829       30.84569 78.29989 9.184271 90.49652 3.488756 -12.19663      9.824574 
1 1 1 11  26 18 o 93.73182 3.604900 434.7865       33.01233 316.9000       68.45163 470.5154       37.68439 77.61777 9.187772 97.40216 3.960897 -19.78439      10.00519 
1 1 1 11  26 19 f 44.89338 4.083510 100.7095       17.74796 0.000000       0.000000 100.7095       17.74796 ?        ?        44.89338 4.083510 ?              ?        
1 1 1 11  26 20 o 37.81884 4.601795 72.20834       16.68474 0.000000       0.000000 72.20834       16.68474 ?        ?        37.81884 4.601795 ?              ?        
1 1 1 11  26 21 o 48.64956 4.507174 118.8071       21.21895 136.5000       58.72818 116.1506       22.75621 48.84517 12.29426 47.98535 4.914241 0.8598175      13.24003 
1 1 1 11  26 22 o 11.08796 5.152770 -11.47795      13.47872 -18.75000      49.09900 -10.88524      14.01725 22.58621 10.24777 11.47845 5.306516 11.10776       11.54018 
1 1 1 11  26 23 o 42.89561 6.531170 95.46220       26.55832 152.7000       51.27998 74.48184       31.04652 52.61632 10.32573 37.05237 8.708458 15.56395       13.50770 
1 1 1 11  26 24 o 96.21705 4.142766 461.5723       38.92511 405.1000       65.46375 492.4583       48.41327 88.18538 7.659904 98.97160 5.013773 -10.78622      9.154893 
1 1 1 11  26 25 o 80.27377 3.439190 319.8037       26.96053 315.2000       56.33042 321.1716       30.70586 77.72074 7.497523 80.28017 3.919415 -2.559433      8.460181 
1 1 1 11  26 26 o 49.49238 4.205545 123.0270       20.18080 167.5000       45.39148 112.0705       22.52996 55.80437 8.584676 46.97968 4.974919 8.824692       9.922020 
1 1 1 11  26 27 o 60.75171 4.765218 186.6043       28.10996 138.0000       45.65117 216.2874       35.67538 49.71662 9.729403 65.01733 5.662163 -15.30071      11.25706 
1 1 1 11  26 28 o 60.43674 4.340927 184.0110       25.50864 0.000000       0.000000 184.0110       25.50864 ?        ?        60.43674 4.340927 ?              ?        
1 1 1 11  26 29 o 34.02490 8.972138 65.31755       30.30283 0.000000       0.000000 65.31755       30.30283 ?        ?        34.02490 8.972138 ?              ?        
1 1 1 11  26 30 o 19.71429 8.274735 8.047107       26.97147 0.000000       0.000000 8.047107       26.97147 ?        ?        19.71429 8.274735 ?              ?        
1 1 1 11  26 31 o 51.12892 6.566439 138.5255       32.10489 0.000000       0.000000 138.5255       32.10489 ?        ?        51.12892 6.566439 ?              ?        
1 1 1 11  26 32 o 22.93564 8.670259 24.44415       26.64540 0.000000       0.000000 24.44415       26.64540 ?        ?        22.93564 8.670259 ?              ?        
1 1 1 11  26 33 o 60.04489 7.193277 194.5000       41.43706 0.000000       0.000000 194.5000       41.43706 ?        ?        60.04489 7.193277 ?              ?        
1 1 1 11  26 34 o 55.27294 6.196957 161.5696       32.95058 0.000000       0.000000 161.5696       32.95058 ?        ?        55.27294 6.196957 ?              ?        
1 1 1 11  26 35 o 56.32106 11.40995 196.7000       60.74332 0.000000       0.000000 196.7000       60.74332 ?        ?        56.32106 11.40995 ?              ?        
1 1 1 11  26 36 o 34.15714 9.071327 68.84882       30.83655 0.000000       0.000000 68.84882       30.83655 ?        ?        34.15714 9.071327 ?              ?        
1 1 1 11  26 37 o 34.03094 8.854552 68.26183       29.77285 0.000000       0.000000 68.26183       29.77285 ?        ?        34.03094 8.854552 ?              ?        
1 1 1 11  26 38 o 26.16282 9.043256 38.86268       28.16296 0.000000       0.000000 38.86268       28.16296 ?        ?        26.16282 9.043256 ?              ?        
1 1 1 11  26 39 o 51.47631 6.770888 145.0001       33.28971 0.000000       0.000000 145.0001       33.28971 ?        ?        51.47631 6.770888 ?              ?        
1 1 1 11  26 40 o 39.77319 8.171090 91.80629       30.74607 0.000000       0.000000 91.80629       30.74607 ?        ?        39.77319 8.171090 ?              ?        
1 1 1 11  26 41 o 44.69599 7.487264 112.8951       31.59904 0.000000       0.000000 112.8951       31.59904 ?        ?        44.69599 7.487264 ?              ?        
1 1 1 11  26 42 o 18.91197 8.128337 6.769433       27.10406 0.000000       0.000000 6.769433       27.10406 ?        ?        18.91197 8.128337 ?              ?        
1 1 1 11  26 43 o 25.59579 9.631258 37.02000       32.79392 0.000000       0.000000 37.02000       32.79392 ?        ?        25.59579 9.631258 ?              ?        
1 1 1 11  26 44 o 14.51882 6.879578 -23.03327      26.12606 0.000000       0.000000 -23.03327      26.12606 ?        ?        14.51882 6.879578 ?              ?        
1 1 1 11  26 45 o 26.86153 11.44606 35.60000       52.90842 0.000000       0.000000 35.60000       52.90842 ?        ?        26.86153 11.44606 ?              ?        
1 1 1 11  26 46 o 60.95756 5.974717 200.5726       35.19192 0.000000       0.000000 200.5726       35.19192 ?        ?        60.95756 5.974717 ?              ?        
1 1 1 11  26 47 o 32.75888 8.767727 65.76697       28.66799 0.000000       0.000000 65.76697       28.66799 ?        ?        32.75888 8.767727 ?              ?        
1 1 1 11  26 48 o 22.08923 8.584870 25.03286       26.61635 0.000000       0.000000 25.03286       26.61635 ?        ?        22.08923 8.584870 ?              ?        
1 1 1 11  26 49 f 30.55172 8.960025 59.23352       28.52928 0.000000       0.000000 59.23352       28.52928 ?        ?        30.55172 8.960025 ?              ?        
1 1 1 11  26 50 o 22.91076 8.641553 30.01543       26.43554 0.000000       0.000000 30.01543       26.43554 ?        ?        22.91076 8.641553 ?              ?        
1 1 1 11  27 0  f 24.61064 6.524113 31.33103       15.96860 101.6000       51.62082 23.89515       16.79226 43.35854 11.83460 21.97565 6.961971 21.38289       13.73050 
1 1 1 11  27 1  o 55.32969 6.373424 154.6990       33.88743 228.5000       57.25214 114.9000       42.04328 66.47842 9.031797 46.65981 9.528055 19.81861       13.12849 
1 1 1 11  27 2  o 98.00141 5.024924 477.1303       48.04141 501.9000       73.89962 459.0000       63.22427 99.56911 7.640867 95.52641 6.806260 4.042702       10.23269 
1 1 1 11  27 3  o 83.01764 3.215192 339.5517       26.07724 333.1000       65.17177 340.7815       28.45438 80.70493 8.371439 83.11623 3.505364 -2.411293      9.075713 
1 1 1 11  27 4  o 71.50546 3.329902 252.1918       23.24249 269.9000       60.58300 249.1356       25.16838 72.40804 8.723408 71.01762 3.632688 1.390411       9.449564 
1 1 1 11  27 5  o 34.36772 5.197649 59.87906       16.93936 47.84000       53.40975 61.22550       17.86150 33.06846 12.32232 34.70640 5.436103 -1.637943      13.46814 
1 1 1 11  27 6  o 17.46693 6.563038 11.50438       15.21587 27.97000       53.18495 10.03654       15.87961 29.87527 11.96990 17.24968 6.650764 12.62559       13.69347 
1 1 1 11  27 7  o 35.41515 4.958784 63.35992       16.71934 100.6000       54.94778 59.56028       17.55157 42.95603 12.38804 34.21374 5.421474 8.742294       13.52243 
1 1 1 11  27 8  o 114.7648 3.312648 649.0906       37.17369 565.5000       83.00081 670.0652       41.57675 105.2928 8.115952 116.5201 3.649886 -11.22729      8.898895 
1 1 1 11  27 9  o 32.63199 5.383001 54.31115       16.59490 12.45000       56.20607 58.30880       17.36922 28.24895 11.90626 33.82734 5.429368 -5.578392      13.08576 
1 1 1 11  27 10 o 49.70605 3.942858 122.8004       19.02638 53.83000       58.89577 130.8370       20.10435 34.52365 12.92461 51.29803 4.036395 -16.77438      13.54024 
1 1 1 11  27 11 o 85.71593 3.242858 362.4781       27.15888 336.2000       69.36877 367.2354       29.51501 80.44786 8.961287 86.21980 3.504578 -5.771935      9.622200 
1 1 1 11  27 12 o 54.25802 3.729279 146.0764       19.68547 68.11000       59.09908 155.8064       20.87771 36.71298 13.06825 56.02342 3.830252 -19.31044      13.61800 
1 1 1 11  27 13 o 105.7467 3.320075 552.0117       34.32279 440.3000       77.15710 579.5715       38.32342 92.13425 8.656993 108.2694 3.621294 -16.13517      9.383885 
1 1 1 11  27 14 o 31.51393 5.403962 50.93270       16.06971 -33.60000      55.73517 58.59703       16.78240 23.04825 10.62892 33.90004 5.225309 -10.85179      11.84389 
1 1 1 11  27 15 o 73.82841 3.672305 270.0863       26.45472 232.8000       64.49281 277.6293       29.00746 65.78515 10.35771 74.77573 3.977479 -8.990585      11.09516 
1 1 1 11  27 16 o 80.73182 4.447947 324.8105       35.01297 288.5000       66.91447 338.5000       41.08639 73.77151 9.485995 82.17863 5.133426 -8.407120      10.78592 
1 1 1 11  27 17 o 20.47766 6.411624 21.12642       14.28215 -23.57000      50.70020 24.97896       14.88495 22.61380 10.31969 22.00807 6.476738 0.6057320      12.18376 
1 1 1 11  27 18 o 25.34193 5.701286 33.50906       13.79901 11.43000       49.07423 35.40464       14.37916 26.16919 11.08217 26.04310 5.790571 0.1260853      12.50381 
1 1 1 11  27 19 o 32.23100 5.953146 53.93998       18.08964 0.000000       0.000000 53.93998       18.08964 ?        ?        32.23100 5.953146 ?              ?        
1 1 1 11  27 20 o 44.34985 5.023835 99.63679       21.42524 0.000000       0.000000 99.63679       21.42524 ?        ?        44.34985 5.023835 ?              ?        
1 1 1 11  27 21 o 103.7221 3.717043 534.0183       37.67665 0.000000       0.000000 534.0183       37.67665 ?        ?        103.7221 3.717043 ?              ?        
1 1 1 11  27 22 o 84.23181 4.336524 354.6109       35.63360 286.3000       62.36135 387.7273       43.42024 73.26233 8.877042 87.75409 5.076642 -14.49176      10.22615 
1 1 1 11  27 23 o 20.12627 8.068892 12.23597       24.18343 34.28000       46.35833 3.994236       28.34599 28.72828 11.28178 19.73820 8.393209 8.990088       14.06145 
1 1 1 11  27 24 o 26.93502 6.398952 38.48019       16.61947 66.82000       44.04184 33.77460       17.94627 34.56656 11.30514 25.20501 7.016768 9.361544       13.30569 
1 1 1 11  27 25 o 25.97049 6.668885 36.02512       17.03946 55.02000       40.92925 32.04274       18.74074 31.77581 10.90519 24.56619 7.277210 7.209623       13.11034 
1 1 1 11  27 26 o 39.86660 4.873959 81.21101       18.62437 89.81000       40.92548 78.96503       20.91567 39.44858 10.43834 39.03269 5.637559 0.4158936      11.86343 
1 1 1 11  27 27 o 49.28770 4.156692 122.5323       19.86687 120.0000       38.76485 123.4344       23.13627 46.50048 8.839780 49.20318 4.867619 -2.702698      10.09135 
1 1 1 11  27 28 o 78.80633 3.258005 309.2907       25.07734 310.4000       44.49252 308.7743       30.35897 77.44053 5.914400 78.41467 3.968237 -0.9741440     7.122292 
1 1 1 11  27 29 o 23.32817 8.864520 24.87650       27.93904 0.000000       0.000000 24.87650       27.93904 ?        ?        23.32817 8.864520 ?              ?        
1 1 1 11  27 30 o 29.02386 9.094118 47.77603       28.72751 0.000000       0.000000 47.77603       28.72751 ?        ?        29.02386 9.094118 ?              ?        
1 1 1 11  27 31 o 22.81047 9.145199 20.38000       31.06595 0.000000       0.000000 20.38000       31.06595 ?        ?        22.81047 9.145199 ?              ?        
1 1 1 11  27 32 o 36.88612 8.324278 77.23521       29.33895 0.000000       0.000000 77.23521       29.33895 ?        ?        36.88612 8.324278 ?              ?        
1 1 1 11  27 33 o 68.57448 5.708010 245.5434       37.96655 0.000000       0.000000 245.5434       37.96655 ?        ?        68.57448 5.708010 ?              ?        
1 1 1 11  27 34 o 25.75605 11.31415 14.74000       54.95024 0.000000       0.000000 14.74000       54.95024 ?        ?        25.75605 11.31415 ?              ?        
1 1 1 11  27 35 o 37.40501 8.414868 80.59319       30.06147 0.000000       0.000000 80.59319       30.06147 ?        ?        37.40501 8.414868 ?              ?        
1 1 1 11  27 36 o 55.05593 6.460153 163.0906       34.15244 0.000000       0.000000 163.0906       34.15244 ?        ?        55.05593 6.460153 ?              ?        
1 1 1 11  27 37 o 17.17812 7.695409 -4.411088      26.69123 0.000000       0.000000 -4.411088      26.69123 ?        ?        17.17812 7.695409 ?              ?        
1 1 1 11  27 38 o 21.57959 8.606883 20.19817       27.37132 0.000000       0.000000 20.19817       27.37132 ?        ?        21.57959 8.606883 ?              ?        
1 1 1 11  27 39 o 61.49700 6.064745 203.0432       36.03207 0.000000       0.000000 203.0432       36.03207 ?        ?        61.49700 6.064745 ?              ?        
1 1 1 11  27 40 o 54.78611 6.543772 163.9335       34.39865 0.000000       0.000000 163.9335       34.39865 ?        ?        54.78611 6.543772 ?              ?        
1 1 1 11  27 41 o 38.79905 8.315921 88.57906       30.63255 0.000000       0.000000 88.57906       30.63255 ?        ?        38.79905 8.315921 ?              ?        
1 1 1 11  27 42 o 35.49588 9.841533 79.78000       35.38269 0.000000       0.000000 79.78000       35.38269 ?        ?        35.49588 9.841533 ?              ?        
1 1 1 11  27 43 f 14.55859 6.891885 -22.47429      26.10113 0.000000       0.000000 -22.47429      26.10113 ?        ?        14.55859 6.891885 ?              ?        
1 1 1 11  27 44 o 22.44487 10.28686 -2.318000      51.09842 0.000000       0.000000 -2.318000      51.09842 ?        ?        22.44487 10.28686 ?              ?        
1 1 1 11  27 45 f 25.67825 8.971161 39.18040       27.75218 0.000000       0.000000 39.18040       27.75218 ?        ?        25.67825 8.971161 ?              ?        
1 1 1 11  27 46 o 17.44418 7.705804 0.8398378      25.82412 0.000000       0.000000 0.8398378      25.82412 ?        ?        17.44418 7.705804 ?              ?        
1 1 1 11  27 47 o 40.27674 7.729870 94.90623       29.36632 0.000000       0.000000 94.90623       29.36632 ?        ?        40.27674 7.729870 ?              ?        
1 1 1 11  27 48 o 33.97996 8.770370 72.30731       29.36775 0.000000       0.000000 72.30731       29.36775 ?        ?        33.97996 8.770370 ?              ?        
1 1 1 11  27 49 o 24.71082 8.971383 37.33601       28.00996 0.000000       0.000000 37.33601       28.00996 ?        ?        24.71082 8.971383 ?              ?        
1 1 1 11  28 0  o 67.87746 4.886785 229.7968       32.25065 0.000000       0.000000 229.7968       32.25065 ?        ?        67.87746 4.886785 ?              ?        
1 1 1 11  28 1  o 112.3144 3.273544 621.8149       35.94979 647.8000       83.60207 615.9200       39.81928 112.8957 7.609890 111.6841 3.647360 1.211548       8.438818 
1 1 1 11  28 2  o 53.79934 4.485122 144.3139       23.40410 184.2000       57.60157 136.4272       25.61366 58.76410 10.39440 52.16085 5.081059 6.603245       11.56982 
1 1 1 11  28 3  o 46.54832 4.856642 108.6713       21.80307 122.0000       55.80480 106.2702       23.68568 47.02422 12.06533 45.90193 5.373243 1.122288       13.20772 
1 1 1 11  28 4  o 27.19968 6.407776 38.56041       16.77745 -2.412000      53.94965 42.94712       17.65275 25.90632 11.29933 28.71546 6.439643 -2.809135      13.00553 
1 1 1 11  28 5  o 41.64652 4.480457 86.90566       17.97752 81.35000       54.75059 87.57703       19.03279 38.93558 12.59562 41.75152 4.741041 -2.815937      13.45835 
1 1 1 11  28 6  o 57.82703 3.628625 165.6765       20.43546 189.9000       59.01800 162.3766       21.78297 59.50111 10.51798 57.18878 3.914961 2.312328       11.22296 
1 1 1 11  28 7  o 51.10275 3.914952 129.8390       19.43378 99.60000       57.52155 133.7354       20.64790 42.37838 12.79578 51.82880 4.103503 -9.450424      13.43766 
1 1 1 11  28 8  o 19.43463 6.604336 17.79686       15.00437 39.43000       54.10444 15.99448       15.61692 31.41916 12.23169 18.96275 6.721006 12.45640       13.95658 
1 1 1 11  28 9  o 24.64093 6.342565 31.69705       15.38763 57.76000       54.79425 29.46568       16.03281 34.44429 12.54159 23.81073 6.633471 10.63356       14.18783 
1 1 1 11  28 10 o 21.31781 6.642238 22.90941       15.34765 -10.90000      54.05402 25.87403       16.00640 24.82170 11.04656 22.47525 6.741841 2.346453       12.94136 
1 1 1 11  28 11 o 25.91748 6.254961 35.12993       15.68523 4.441000       55.50815 37.79305       16.35164 26.82108 11.58078 26.87641 6.322124 -0.5532646E-01 13.19408 
1 1 1 11  28 12 o 45.00783 4.190974 101.3010       18.25111 93.16000       57.95589 102.1973       19.22950 40.82735 12.93375 45.15794 4.406377 -4.330593      13.66375 
1 1 1 11  28 13 o 84.82838 3.246507 355.6072       26.90676 370.0000       71.09476 353.2010       29.06902 84.06641 8.768669 84.46806 3.523600 -0.4016495     9.450149 
1 1 1 11  28 14 o 55.23103 3.789253 151.7298       20.36121 68.30000       59.74743 162.6921       21.65763 36.33173 13.11487 57.17522 3.893098 -20.84349      13.68050 
1 1 1 11  28 15 o 39.73035 4.916103 79.95399       18.71082 10.68000       55.80189 88.72919       19.86058 27.41712 11.72087 41.87626 4.940248 -14.45914      12.71946 
1 1 1 11  28 16 o 52.68117 4.023159 138.5140       20.58881 97.82000       55.12427 145.1112       22.19504 41.39312 12.53231 53.87027 4.243449 -12.47715      13.23124 
1 1 1 11  28 17 o 12.01540 5.430630 -6.820281      13.63009 -14.22000      49.05111 -6.201104      14.18889 23.02762 10.36443 12.42688 5.585348 10.60074       11.77359 
1 1 1 11  28 18 o 73.51112 3.884975 268.9089       27.85498 185.8000       58.15393 293.6537       31.73193 57.97122 10.64050 76.70781 4.242733 -18.73659      11.45517 
1 1 1 11  28 19 o 51.02317 4.679881 131.1152       23.11260 0.000000       0.000000 131.1152       23.11260 ?        ?        51.02317 4.679881 ?              ?        
1 1 1 11  28 20 f 29.02903 5.624527 43.88956       15.40449 0.000000       0.000000 43.88956       15.40449 ?        ?        29.02903 5.624527 ?              ?        
1 1 1 11  28 21 o 25.28905 6.101969 33.76674       14.92982 0.000000       0.000000 33.76674       14.92982 ?        ?        25.28905 6.101969 ?              ?        
1 1 1 11  28 22 o 26.48311 8.449728 36.95639       24.69941 50.28000       47.56781 32.03806       28.90089 31.51279 11.65021 25.63139 9.137063 5.881395       14.80585 
1 1 1 11  28 23 o 44.63319 6.263147 103.7168       26.61066 150.8000       48.49953 83.43746       31.82967 51.94495 9.899987 38.97472 8.576535 12.97022       13.09835 
1 1 1 11  28 24 o 24.50071 8.295243 30.80723       23.66924 84.00000       41.25539 4.707188       28.89848 38.07193 10.65347 19.85256 8.459335 18.21937       13.60356 
1 1 1 11  28 25 o 76.26058 3.868346 291.1995       28.78133 0.000000       0.000000 291.1995       28.78133 ?        ?        76.26058 3.868346 ?              ?        
1 1 1 11  28 26 o 78.58968 3.330693 307.7654       25.56351 274.8000       47.88094 320.9085       30.23303 72.20440 6.856936 80.00445 3.872156 -7.800049      7.874716 
1 1 1 11  28 27 o 28.43987 6.054350 43.29115       16.33648 83.16000       30.55551 27.33301       19.33142 38.53505 8.342998 22.79849 7.491786 15.73656       11.21305 
1 1 1 11  28 28 o 34.99884 8.823772 69.99780       30.21594 0.000000       0.000000 69.99780       30.21594 ?        ?        34.99884 8.823772 ?              ?        
1 1 1 11  28 29 o 86.46083 5.299015 384.9317       44.63029 0.000000       0.000000 384.9317       44.63029 ?        ?        86.46083 5.299015 ?              ?        
1 1 1 11  28 30 o 21.23670 8.842874 12.80000       30.43648 0.000000       0.000000 12.80000       30.43648 ?        ?        21.23670 8.842874 ?              ?        
1 1 1 11  28 31 o 19.66312 8.281076 8.743242       27.15592 0.000000       0.000000 8.743242       27.15592 ?        ?        19.66312 8.281076 ?              ?        
1 1 1 11  28 32 o 37.72104 13.16640 96.65000       59.76897 0.000000       0.000000 96.65000       59.76897 ?        ?        37.72104 13.16640 ?              ?        
1 1 1 11  28 33 o 52.03167 6.762978 146.4141       33.62965 0.000000       0.000000 146.4141       33.62965 ?        ?        52.03167 6.762978 ?              ?        
1 1 1 11  28 34 o 82.79767 5.410354 357.2461       43.60783 0.000000       0.000000 357.2461       43.60783 ?        ?        82.79767 5.410354 ?              ?        
1 1 1 11  28 35 o 38.80689 8.079653 86.19776       29.69182 0.000000       0.000000 86.19776       29.69182 ?        ?        38.80689 8.079653 ?              ?        
1 1 1 11  28 36 o 61.56975 6.037274 202.3385       35.91709 0.000000       0.000000 202.3385       35.91709 ?        ?        61.56975 6.037274 ?              ?        
1 1 1 11  28 37 o 53.21430 6.554455 154.4924       33.42003 0.000000       0.000000 154.4924       33.42003 ?        ?        53.21430 6.554455 ?              ?        
1 1 1 11  28 38 o 37.05863 8.582551 81.74815       30.51927 0.000000       0.000000 81.74815       30.51927 ?        ?        37.05863 8.582551 ?              ?        
1 1 1 11  28 39 o 30.55387 9.130693 57.13729       29.40108 0.000000       0.000000 57.13729       29.40108 ?        ?        30.55387 9.130693 ?              ?        
1 1 1 11  28 40 o 24.37665 8.928170 33.25741       27.82898 0.000000       0.000000 33.25741       27.82898 ?        ?        24.37665 8.928170 ?              ?        
1 1 1 11  28 41 o 18.74711 8.342216 0.2481000      30.81861 0.000000       0.000000 0.2481000      30.81861 ?        ?        18.74711 8.342216 ?              ?        
1 1 1 11  28 42 o 26.79130 9.056503 43.18481       28.21241 0.000000       0.000000 43.18481       28.21241 ?        ?        26.79130 9.056503 ?              ?        
1 1 1 11  28 43 o 26.61040 11.44515 33.95000       53.80875 0.000000       0.000000 33.95000       53.80875 ?        ?        26.61040 11.44515 ?              ?        
1 1 1 11  28 44 o 23.69954 8.874097 31.12053       27.76775 0.000000       0.000000 31.12053       27.76775 ?        ?        23.69954 8.874097 ?              ?        
1 1 1 11  28 45 o 23.77946 8.757831 31.87787       26.83682 0.000000       0.000000 31.87787       26.83682 ?        ?        23.77946 8.757831 ?              ?        
1 1 1 11  28 46 o 28.08055 8.905083 49.19630       27.46782 0.000000       0.000000 49.19630       27.46782 ?        ?        28.08055 8.905083 ?              ?        
1 1 1 11  28 47 o 16.51609 7.419519 -2.431551      25.00268 0.000000       0.000000 -2.431551      25.00268 ?        ?        16.51609 7.419519 ?              ?        
1 1 1 11  28 48 o 19.10697 8.060527 12.34138       25.79885 0.000000       0.000000 12.34138       25.79885 ?        ?        19.10697 8.060527 ?              ?        
1 1 1 11  29 0  o 51.23001 4.119105 130.8274       20.48144 0.000000       0.000000 130.8274       20.48144 ?        ?        51.23001 4.119105 ?              ?        
1 1 1 11  29 1  o 78.91492 3.633312 308.3318       27.98988 0.000000       0.000000 308.3318       27.98988 ?        ?        78.91492 3.633312 ?              ?        
1 1 1 11  29 2  o 49.77629 3.919301 123.3464       18.94183 86.26000       56.91204 127.9663       20.08703 39.63406 12.84348 50.66910 4.084696 -11.03505      13.47738 
1 1 1 11  29 3  o 77.48308 3.350226 296.7800       25.34893 270.7000       64.84052 301.4850       27.54077 71.55239 9.491887 78.03237 3.615573 -6.479980      10.15718 
1 1 1 11  29 4  o 48.80783 4.987636 119.8887       23.49353 107.4000       57.35611 122.4065       25.75307 43.64437 12.67759 49.19727 5.438569 -5.552902      13.79490 
1 1 1 11  29 5  o 91.96243 3.951462 419.4641       35.48623 448.0000       73.32397 410.7361       40.55164 93.10842 8.126823 90.79330 4.577749 2.315117       9.327435 
1 1 1 11  29 6  o 43.89596 4.314984 96.50784       18.30064 118.7000       56.35300 93.89146       19.34938 45.85769 12.30120 43.21227 4.647580 2.645424       13.14988 
1 1 1 11  29 7  o 41.80103 4.489221 87.78976       18.08061 61.93000       56.96700 90.68655       19.06643 35.18301 12.79121 42.44946 4.665530 -7.266445      13.61551 
1 1 1 11  29 8  o 33.51736 5.272897 57.44432       16.72841 -12.90000      56.84901 64.11280       17.50337 25.14299 11.24954 35.46901 5.195605 -10.32602      12.39138 
1 1 1 11  29 9  o 31.81705 5.550323 52.12809       16.65729 -33.76000      56.97565 60.15533       17.41831 23.21385 10.72000 34.28396 5.366381 -11.07012      11.98818 
1 1 1 11  29 10 o 28.43078 6.074821 42.21251       16.39232 50.29000       55.91931 41.45314       17.14555 33.03001 12.54333 28.10753 6.378602 4.922480       14.07202 
1 1 1 11  29 11 o 48.45116 4.113482 117.3392       19.32409 31.31000       59.75348 127.3876       20.42147 30.72193 12.54966 50.48260 4.169907 -19.76068      13.22430 
1 1 1 11  29 12 o 54.47750 3.853396 147.8326       20.41529 144.6000       61.74920 148.2293       21.63174 50.09056 12.60583 54.49225 4.085296 -4.401688      13.25128 
1 1 1 11  29 13 o 17.41880 6.503846 12.09281       14.89384 14.94000       55.11927 11.86855       15.46928 27.72562 11.74327 17.52650 6.610525 10.19912       13.47603 
1 1 1 11  29 14 f 80.59718 3.656674 322.4765       28.77263 303.8000       66.83115 326.7259       31.87829 75.44372 9.242872 81.00425 4.033193 -5.560532      10.08451 
1 1 1 11  29 15 o 24.87589 6.417127 32.61848       15.72802 57.64000       52.94855 30.19706       16.47148 33.65409 12.31694 23.97801 6.739464 9.676079       14.04021 
1 1 1 11  29 16 o 34.31601 5.003859 60.15998       16.31323 23.86000       51.97891 64.12609       17.18131 28.20146 11.63234 35.42152 5.102431 -7.220060      12.70221 
1 1 1 11  29 17 o 20.29775 6.859468 20.02628       16.18449 -17.92000      49.27818 24.61433       17.13500 22.57863 10.25306 22.00632 7.039645 0.5723019      12.43712 
1 1 1 11  29 18 o 44.60159 4.030964 99.78183       17.40833 71.23000       50.05500 103.7105       18.56740 35.69728 12.06326 45.42469 4.224342 -9.727409      12.78152 
1 1 1 11  29 19 o 90.01476 4.128969 404.7005       36.28301 0.000000       0.000000 404.7005       36.28301 ?        ?        90.01476 4.128969 ?              ?        
1 1 1 11  29 20 o 75.09002 3.727259 280.9534       27.30979 0.000000       0.000000 280.9534       27.30979 ?        ?        75.09002 3.727259 ?              ?        
1 1 1 11  29 21 o 58.36147 3.917291 170.5355       22.24825 0.000000       0.000000 170.5355       22.24825 ?        ?        58.36147 3.917291 ?              ?        
1 1 1 11  29 22 o 71.33989 4.561668 256.7599       31.68699 323.3000       57.43053 227.6385       37.99339 78.10857 7.607998 66.48912 5.898986 11.61945       9.627028 
1 1 1 11  29 23 o 41.32282 6.716516 90.63345       26.23487 73.07000       43.84392 100.4294       32.74364 35.25597 11.25879 42.83739 8.105837 -7.581421      13.87318 
1 1 1 11  29 24 o 56.68231 3.704670 161.0890       20.44168 135.8000       41.41614 169.2337       23.50410 49.32937 8.905053 57.91993 4.173800 -8.590561      9.834662 
1 1 1 11  29 25 o 52.78455 3.750882 140.0962       19.25342 130.0000       36.39647 144.0192       22.68773 48.71036 7.904337 53.26321 4.390643 -4.552845      9.041919 
1 1 1 11  29 26 o 57.66552 3.447942 166.5324       19.37290 230.0000       36.66567 141.9519       22.81804 66.57809 5.680498 52.81804 4.455068 13.76004       7.219120 
1 1 1 11  29 27 f 27.37162 5.281989 39.56406       13.63889 53.95000       22.11249 30.73049       17.32752 31.21726 7.357784 23.76853 6.986135 7.448725       10.14609 
1 1 1 11  29 28 o 36.98799 8.746205 78.71001       31.16425 0.000000       0.000000 78.71001       31.16425 ?        ?        36.98799 8.746205 ?              ?        
1 1 1 11  29 29 o 28.24527 9.943638 45.14000       34.13783 0.000000       0.000000 45.14000       34.13783 ?        ?        28.24527 9.943638 ?              ?        
1 1 1 11  29 30 o 34.33270 8.974457 68.93169       30.49134 0.000000       0.000000 68.93169       30.49134 ?        ?        34.33270 8.974457 ?              ?        
1 1 1 11  29 31 o 28.28924 12.02628 33.85000       58.17113 0.000000       0.000000 33.85000       58.17113 ?        ?        28.28924 12.02628 ?              ?        
1 1 1 11  29 32 o 21.15192 8.621032 16.24812       28.12115 0.000000       0.000000 16.24812       28.12115 ?        ?        21.15192 8.621032 ?              ?        
1 1 1 11  29 33 o 38.86747 8.344295 87.29070       30.79640 0.000000       0.000000 87.29070       30.79640 ?        ?        38.86747 8.344295 ?              ?        
1 1 1 11  29 34 o 25.53720 9.049603 36.53866       28.31192 0.000000       0.000000 36.53866       28.31192 ?        ?        25.53720 9.049603 ?              ?        
1 1 1 11  29 35 o 40.80880 8.017562 95.82780       30.88308 0.000000       0.000000 95.82780       30.88308 ?        ?        40.80880 8.017562 ?              ?        
1 1 1 11  29 36 o 64.72115 5.998018 224.4610       37.56568 0.000000       0.000000 224.4610       37.56568 ?        ?        64.72115 5.998018 ?              ?        
1 1 1 11  29 37 o 45.24479 7.532630 116.3291       32.18729 0.000000       0.000000 116.3291       32.18729 ?        ?        45.24479 7.532630 ?              ?        
1 1 1 11  29 38 o 37.01291 8.596946 81.76585       30.54863 0.000000       0.000000 81.76585       30.54863 ?        ?        37.01291 8.596946 ?              ?        
1 1 1 11  29 39 o 15.21792 7.121343 -17.55383      26.47337 0.000000       0.000000 -17.55383      26.47337 ?        ?        15.21792 7.121343 ?              ?        
1 1 1 11  29 40 o 42.55509 9.207998 110.8000       37.23923 0.000000       0.000000 110.8000       37.23923 ?        ?        42.55509 9.207998 ?              ?        
1 1 1 11  29 41 o 41.27506 8.047584 99.63263       31.34470 0.000000       0.000000 99.63263       31.34470 ?        ?        41.27506 8.047584 ?              ?        
1 1 1 11  29 42 o 16.04386 7.413694 -12.52449      27.31365 0.000000       0.000000 -12.52449      27.31365 ?        ?        16.04386 7.413694 ?              ?        
1 1 1 11  29 43 o 20.99913 8.518662 19.01178       27.30559 0.000000       0.000000 19.01178       27.30559 ?        ?        20.99913 8.518662 ?              ?        
1 1 1 11  29 44 o 17.37106 7.696237 0.4792210      25.94547 0.000000       0.000000 0.4792210      25.94547 ?        ?        17.37106 7.696237 ?              ?        
1 1 1 11  29 45 o 17.48553 7.668634 3.046916       25.15186 0.000000       0.000000 3.046916       25.15186 ?        ?        17.48553 7.668634 ?              ?        
1 1 1 11  29 46 o 16.29182 7.356031 -3.673887      24.93464 0.000000       0.000000 -3.673887      24.93464 ?        ?        16.29182 7.356031 ?              ?        
1 1 1 11  29 47 o 12.01614 5.903246 -40.08314      24.03562 0.000000       0.000000 -40.08314      24.03562 ?        ?        12.01614 5.903246 ?              ?        
1 1 1 11  30 0  o 75.81189 3.335725 284.3911       24.69274 340.6000       67.51933 275.7126       26.53058 80.57787 8.698321 74.56461 3.646083 6.013260       9.431581 
1 1 1 11  30 1  o 67.63519 3.725021 227.1033       24.56560 0.000000       0.000000 227.1033       24.56560 ?        ?        67.63519 3.725021 ?              ?        
1 1 1 11  30 2  o 46.42699 4.470553 108.1766       20.06510 0.000000       0.000000 108.1766       20.06510 ?        ?        46.42699 4.470553 ?              ?        
1 1 1 11  30 3  o 99.27431 3.968526 489.4503       38.48542 586.2000       78.72755 459.0704       44.11585 106.6659 7.589995 95.85120 4.716573 10.81470       8.936111 
1 1 1 11  30 4  o 65.05756 4.267375 211.2043       27.02468 306.8000       63.52352 190.0791       29.86178 76.39484 8.646863 61.47917 5.005559 14.91567       9.991190 
1 1 1 11  30 5  o 36.38469 6.289284 68.69988       21.58887 133.8000       55.72933 57.20537       23.41738 48.58400 11.83078 32.80944 7.460990 15.77456       13.98691 
1 1 1 11  30 6  o 75.68615 4.173549 285.4282       30.79949 247.1000       64.30583 296.8379       35.08553 67.62836 10.01683 77.01561 4.676214 -9.387253      11.05459 
1 1 1 11  30 7  o 42.55604 4.486742 91.15025       18.40858 80.67000       56.10344 92.41470       19.48748 38.10175 12.77079 42.78807 4.731904 -4.686321      13.61925 
1 1 1 11  30 8  o 41.94738 4.555981 88.68414       18.40643 71.66000       57.42602 90.63338       19.43163 36.51584 12.89320 42.35311 4.770108 -5.837265      13.74731 
1 1 1 11  30 9  o 34.25846 5.362724 60.23880       17.39345 109.3000       57.76908 55.34790       18.23983 43.41857 12.75453 32.64858 5.925731 10.76999       14.06386 
1 1 1 11  30 10 o 40.02658 4.702432 81.05349       18.07271 112.0000       57.38575 77.64617       19.04167 43.89415 12.66028 39.05264 5.103344 4.841511       13.65016 
1 1 1 11  30 11 o 39.87098 4.725494 80.48132       18.08395 38.97000       57.33125 85.06786       19.05681 31.18603 12.45041 40.97168 4.845484 -9.785650      13.36007 
1 1 1 11  30 12 o 41.41650 4.989234 87.10601       19.81923 79.92000       56.22062 88.12578       21.17887 37.72880 12.78445 41.55801 5.328931 -3.829212      13.85062 
1 1 1 11  30 13 o 82.76171 3.701702 340.4114       29.91140 276.4000       66.14529 356.8661       33.53623 71.43021 9.711735 84.61205 4.061119 -13.18183      10.52666 
1 1 1 11  30 14 o 100.1386 3.335749 496.9052       32.65085 489.9000       76.32767 498.4742       36.12273 96.53680 8.153782 100.1585 3.690880 -3.621689      8.950238 
1 1 1 11  30 15 o 39.24884 5.732210 79.47144       21.37232 3.085000       54.32130 93.46146       23.24723 25.84905 11.30493 42.62690 5.715515 -16.77785      12.66762 
1 1 1 11  30 16 o 52.00766 4.657344 136.5141       23.45821 117.2000       55.19923 140.7711       25.91479 44.56501 12.26777 52.66597 5.090401 -8.100964      13.28195 
1 1 1 11  30 17 o 91.29353 3.347959 413.5890       29.86690 375.3000       67.31462 422.9742       33.32690 84.06170 8.288704 92.18488 3.700946 -8.123184      9.077423 
1 1 1 11  30 18 o 89.04716 3.352887 393.8191       29.17217 303.4000       63.98365 417.5473       32.77718 74.89725 8.901565 91.56524 3.664484 -16.66799      9.626333 
1 1 1 11  30 19 o 49.07054 4.144928 121.2173       19.72274 0.000000       0.000000 121.2173       19.72274 ?        ?        49.07054 4.144928 ?              ?        
1 1 1 11  30 20 o 46.32602 4.245243 108.4045       19.03633 0.000000       0.000000 108.4045       19.03633 ?        ?        46.32602 4.245243 ?              ?        
1 1 1 11  30 21 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  30 22 o 43.81067 7.664137 104.4909       31.66985 0.000000       0.000000 104.4909       31.66985 ?        ?        43.81067 7.664137 ?              ?        
1 1 1 11  30 23 o 26.99727 5.828223 38.92279       14.94969 5.080000       32.78096 47.80971       16.79825 20.66581 8.911189 29.94911 5.940085 -9.283300      10.70952 
1 1 1 11  30 24 o 22.35136 6.415288 26.87734       14.76912 88.17000       30.07559 7.399894       16.95414 39.80707 7.996637 16.47119 6.701151 23.33588       10.43320 
1 1 1 11  30 25 o 85.80302 3.167618 367.1065       26.55800 308.1000       45.99325 396.6224       32.52910 76.62173 6.184997 88.86409 3.748140 -12.24236      7.232064 
1 1 1 11  30 26 o 78.28630 3.081024 305.5951       23.56341 273.2000       39.97766 322.8407       29.16875 72.42334 5.684933 80.12705 3.729282 -7.703712      6.798972 
1 1 1 11  30 27 o 32.94405 5.925355 57.99583       18.40479 0.000000       0.000000 57.99583       18.40479 ?        ?        32.94405 5.925355 ?              ?        
1 1 1 11  30 28 o 56.44655 7.830471 176.4000       42.10084 0.000000       0.000000 176.4000       42.10084 ?        ?        56.44655 7.830471 ?              ?        
1 1 1 11  30 29 o 59.26564 6.125781 186.1989       35.02459 0.000000       0.000000 186.1989       35.02459 ?        ?        59.26564 6.125781 ?              ?        
1 1 1 11  30 30 o 32.48722 12.79617 66.61000       59.79504 0.000000       0.000000 66.61000       59.79504 ?        ?        32.48722 12.79617 ?              ?        
1 1 1 11  30 31 o 58.33383 6.386791 182.6243       35.87239 0.000000       0.000000 182.6243       35.87239 ?        ?        58.33383 6.386791 ?              ?        
1 1 1 11  30 32 o 22.36467 8.663633 23.55413       27.03954 0.000000       0.000000 23.55413       27.03954 ?        ?        22.36467 8.663633 ?              ?        
1 1 1 11  30 33 o 49.65343 6.829552 135.3147       32.31472 0.000000       0.000000 135.3147       32.31472 ?        ?        49.65343 6.829552 ?              ?        
1 1 1 11  30 34 o 26.43957 9.054701 41.13842       28.21346 0.000000       0.000000 41.13842       28.21346 ?        ?        26.43957 9.054701 ?              ?        
1 1 1 11  30 35 o 50.68498 6.920854 142.4078       33.43969 0.000000       0.000000 142.4078       33.43969 ?        ?        50.68498 6.920854 ?              ?        
1 1 1 11  30 36 o 24.81324 9.024364 34.99052       28.35876 0.000000       0.000000 34.99052       28.35876 ?        ?        24.81324 9.024364 ?              ?        
1 1 1 11  30 37 o 21.15773 8.545012 18.91127       27.33699 0.000000       0.000000 18.91127       27.33699 ?        ?        21.15773 8.545012 ?              ?        
1 1 1 11  30 38 o 20.47651 8.466785 15.49127       27.62929 0.000000       0.000000 15.49127       27.62929 ?        ?        20.47651 8.466785 ?              ?        
1 1 1 11  30 39 o 27.03977 9.783641 44.61000       33.27445 0.000000       0.000000 44.61000       33.27445 ?        ?        27.03977 9.783641 ?              ?        
1 1 1 11  30 40 o 22.57017 10.40272 -3.372000      53.28351 0.000000       0.000000 -3.372000      53.28351 ?        ?        22.57017 10.40272 ?              ?        
1 1 1 11  30 41 o 20.29669 8.466866 14.61071       27.97734 0.000000       0.000000 14.61071       27.97734 ?        ?        20.29669 8.466866 ?              ?        
1 1 1 11  30 42 o 16.19371 7.411928 -8.696392      26.40972 0.000000       0.000000 -8.696392      26.40972 ?        ?        16.19371 7.411928 ?              ?        
1 1 1 11  30 43 o 27.29828 8.926753 46.16026       27.46044 0.000000       0.000000 46.16026       27.46044 ?        ?        27.29828 8.926753 ?              ?        
1 1 1 11  30 44 o 25.34162 8.832285 39.16118       26.89046 0.000000       0.000000 39.16118       26.89046 ?        ?        25.34162 8.832285 ?              ?        
1 1 1 11  30 45 o 50.48977 6.595746 143.6594       31.81810 0.000000       0.000000 143.6594       31.81810 ?        ?        50.48977 6.595746 ?              ?        
1 1 1 11  30 46 o 26.36714 8.897896 44.38384       27.23271 0.000000       0.000000 44.38384       27.23271 ?        ?        26.36714 8.897896 ?              ?        
1 1 1 11  31 0  o 20.67324 6.748068 21.26013       15.69542 47.53000       53.29574 18.76543       16.42377 31.99539 12.22271 19.95012 6.905437 12.04527       14.03851 
1 1 1 11  31 1  o 51.28893 3.906841 131.3199       19.46594 92.25000       56.42578 136.5979       20.73914 40.08405 12.76941 52.26770 4.086149 -12.18365      13.40725 
1 1 1 11  31 2  o 85.77064 3.637390 365.1902       30.46825 0.000000       0.000000 365.1902       30.46825 ?        ?        85.77064 3.637390 ?              ?        
1 1 1 11  31 3  o 35.88790 5.479783 66.17919       18.64010 0.000000       0.000000 66.17919       18.64010 ?        ?        35.88790 5.479783 ?              ?        
1 1 1 11  31 4  o 79.22739 3.445349 311.2690       26.65479 207.2000       63.90339 333.1887       29.32786 60.89089 11.13182 81.90409 3.667512 -21.01320      11.72041 
1 1 1 11  31 5  f 67.71465 3.578582 227.7896       23.63498 229.6000       61.29547 227.4734       25.61586 64.92324 9.963125 67.57714 3.889028 -2.653900      10.69525 
1 1 1 11  31 6  o 25.26593 7.671609 33.46229       20.63584 22.13000       53.56830 35.43702       22.36165 28.22464 11.74028 25.98949 8.004287 2.235149       14.20925 
1 1 1 11  31 7  o 29.52993 7.447177 46.66806       21.51885 35.61000       53.49705 48.80262       23.50419 30.09105 12.02232 30.12092 7.882260 -0.2987480E-01 14.37589 
1 1 1 11  31 8  o 22.69789 6.920611 26.68184       16.76990 -16.78000      52.46516 31.62759       17.69836 23.45579 10.62275 24.49945 7.019843 -1.043661      12.73267 
1 1 1 11  31 9  o 71.64735 3.463935 254.8715       24.22074 254.3000       64.43876 254.9655       26.13735 68.23995 9.939041 71.57505 3.743744 -3.335098      10.62074 
1 1 1 11  31 10 o 51.06315 4.132588 130.6874       20.47916 118.4000       59.92455 132.3122       21.79118 44.60803 12.95858 51.30769 4.380896 -6.699665      13.67907 
1 1 1 11  31 11 o 40.98286 5.143619 85.73162       20.18041 68.58000       56.88161 88.20132       21.58447 35.44849 12.79642 41.47634 5.448219 -6.027851      13.90796 
1 1 1 11  31 12 o 44.41185 4.557060 99.68386       19.52955 135.3000       56.67815 94.88553       20.80354 48.02803 12.07174 43.17533 5.015862 4.852699       13.07233 
1 1 1 11  31 13 o 45.87034 4.420145 106.1347       19.60061 95.61000       55.90395 107.6099       20.92918 40.19167 12.69900 46.10136 4.703854 -5.909687      13.54218 
1 1 1 11  31 14 o 41.12342 5.836848 87.49779       22.83567 46.95000       53.40036 96.57211       25.26201 31.42739 12.17489 43.11194 6.161410 -11.68455      13.64518 
1 1 1 11  31 15 o 57.74767 4.665911 168.5168       26.14966 86.60000       55.61722 191.7647       29.62883 38.22146 12.71337 61.50072 4.963991 -23.27927      13.64812 
1 1 1 11  31 16 o 22.75076 6.774970 27.33286       16.20920 2.405000       48.76268 30.42946       17.18651 24.30648 10.66836 23.90169 6.938786 0.4047852      12.72637 
1 1 1 11  31 17 o 43.52389 4.280971 95.82932       18.00218 97.35000       47.99538 95.58036       19.42000 40.36782 11.55799 43.34184 4.650205 -2.974022      12.45839 
1 1 1 11  31 18 o 57.39676 3.654625 164.9055       20.42559 136.2000       47.89737 171.2861       22.58186 48.50608 10.40034 58.38320 3.975245 -9.877113      11.13416 
1 1 1 11  31 19 f 81.32745 4.202750 333.0496       33.34274 333.1000       55.98568 333.0219       41.50658 79.14674 7.309189 80.67271 5.285458 -1.525970      9.019995 
1 1 1 11  31 20 o 52.29616 4.179442 138.3519       21.21620 0.000000       0.000000 138.3519       21.21620 ?        ?        52.29616 4.179442 ?              ?        
1 1 1 11  31 21 o 28.63374 5.982650 43.89428       16.22657 0.000000       0.000000 43.89428       16.22657 ?        ?        28.63374 5.982650 ?              ?        
1 1 1 11  31 22 o 48.90379 5.145059 123.5117       24.26005 165.5000       36.84116 91.36446       32.23596 55.58957 6.920115 40.23772 8.453862 15.35185       10.92501 
1 1 1 11  31 23 o 47.07664 4.427595 113.1188       20.16279 138.8000       34.24309 99.49000       24.94564 50.67703 7.097628 43.37012 6.039856 7.306911       9.319667 
1 1 1 11  31 24 o 20.16723 6.340931 21.46748       13.95438 30.66000       25.49634 17.53631       16.67328 24.17346 8.585711 19.19457 6.928201 4.978891       11.03243 
1 1 1 11  31 25 o 42.91853 3.799188 93.27987       15.79565 80.69000       26.62828 100.1151       19.62041 38.18406 7.391681 44.13576 4.609502 -5.951702      8.711168 
1 1 1 11  31 26 o 45.88583 3.470762 106.0322       15.47310 111.9000       23.99537 101.8555       20.24426 46.25479 5.401421 44.44135 4.726211 1.813438       7.177215 
1 1 1 11  31 27 f 87.03008 5.298561 392.6848       44.92320 0.000000       0.000000 392.6848       44.92320 ?        ?        87.03008 5.298561 ?              ?        
1 1 1 11  31 28 o 51.12887 12.87302 177.0000       64.37352 0.000000       0.000000 177.0000       64.37352 ?        ?        51.12887 12.87302 ?              ?        
1 1 1 11  31 29 o 42.79111 13.80999 134.3000       65.84130 0.000000       0.000000 134.3000       65.84130 ?        ?        42.79111 13.80999 ?              ?        
1 1 1 11  31 30 o 65.35978 5.797042 226.1753       36.70287 0.000000       0.000000 226.1753       36.70287 ?        ?        65.35978 5.797042 ?              ?        
1 1 1 11  31 31 o 33.81358 8.799679 68.14031       29.40124 0.000000       0.000000 68.14031       29.40124 ?        ?        33.81358 8.799679 ?              ?        
1 1 1 11  31 32 o 36.79383 8.432813 79.83758       29.71935 0.000000       0.000000 79.83758       29.71935 ?        ?        36.79383 8.432813 ?              ?        
1 1 1 11  31 33 o 34.28242 8.742382 70.88725       29.42336 0.000000       0.000000 70.88725       29.42336 ?        ?        34.28242 8.742382 ?              ?        
1 1 1 11  31 34 o 19.45770 8.318806 9.040839       28.11311 0.000000       0.000000 9.040839       28.11311 ?        ?        19.45770 8.318806 ?              ?        
1 1 1 11  31 35 o 27.44190 9.114680 45.63657       28.58949 0.000000       0.000000 45.63657       28.58949 ?        ?        27.44190 9.114680 ?              ?        
1 1 1 11  31 36 o 39.26809 8.328401 91.41006       31.01801 0.000000       0.000000 91.41006       31.01801 ?        ?        39.26809 8.328401 ?              ?        
1 1 1 11  31 37 o 16.40819 7.653367 -16.72000      30.17145 0.000000       0.000000 -16.72000      30.17145 ?        ?        16.40819 7.653367 ?              ?        
1 1 1 11  31 38 o 29.34869 9.136471 53.55146       29.04514 0.000000       0.000000 53.55146       29.04514 ?        ?        29.34869 9.136471 ?              ?        
1 1 1 11  31 39 o 60.76680 11.25354 244.9000       64.47182 0.000000       0.000000 244.9000       64.47182 ?        ?        60.76680 11.25354 ?              ?        
1 1 1 11  31 40 o 25.39626 9.108915 38.47735       28.76856 0.000000       0.000000 38.47735       28.76856 ?        ?        25.39626 9.108915 ?              ?        
1 1 1 11  31 41 o 27.86579 9.033255 48.28182       28.15167 0.000000       0.000000 48.28182       28.15167 ?        ?        27.86579 9.033255 ?              ?        
1 1 1 11  31 42 o 17.39382 7.699709 1.204735       25.91437 0.000000       0.000000 1.204735       25.91437 ?        ?        17.39382 7.699709 ?              ?        
1 1 1 11  31 43 o 18.18188 7.864666 6.836471       25.69132 0.000000       0.000000 6.836471       25.69132 ?        ?        18.18188 7.864666 ?              ?        
1 1 1 11  31 44 o 19.21242 8.072220 13.20407       25.70770 0.000000       0.000000 13.20407       25.70770 ?        ?        19.21242 8.072220 ?              ?        
1 1 1 11  31 45 o 21.06699 8.436119 22.52429       26.40261 0.000000       0.000000 22.52429       26.40261 ?        ?        21.06699 8.436119 ?              ?        
1 1 1 11  32 0  o 52.22820 3.929973 136.4046       19.94359 189.3000       59.64503 129.7463       21.16163 58.00795 10.90484 50.82542 4.293782 7.182529       11.71973 
1 1 1 11  32 1  o 61.55313 3.643522 188.6632       21.85398 209.2000       60.56879 185.5894       23.43243 61.34385 10.46222 60.95705 3.948480 0.3867950      11.18251 
1 1 1 11  32 2  o 52.96230 3.913777 140.2381       20.14605 174.7000       58.58516 135.6164       21.45445 55.47094 11.17656 51.97830 4.254041 3.492634       11.95878 
1 1 1 11  32 3  o 40.60044 4.992668 83.96185       19.42397 0.000000       0.000000 83.96185       19.42397 ?        ?        40.60044 4.992668 ?              ?        
1 1 1 11  32 4  o 19.03739 7.078953 15.15089       17.60892 0.000000       0.000000 15.15089       17.60892 ?        ?        19.03739 7.078953 ?              ?        
1 1 1 11  32 5  o 32.44367 6.038499 55.09330       18.47081 13.30000       55.60647 60.27655       19.58272 27.22445 11.67076 33.94471 6.118839 -6.720255      13.17751 
1 1 1 11  32 6  o 70.47276 3.539163 247.0204       24.33525 206.5000       62.53469 254.2518       26.41762 60.45072 10.97249 71.41506 3.792781 -10.96434      11.60951 
1 1 1 11  32 7  o 57.87558 4.770643 169.1510       26.78602 153.6000       58.46185 173.2830       30.13526 51.31032 11.87543 58.36125 5.334177 -7.050934      13.01842 
1 1 1 11  32 8  o 21.86748 7.768683 22.56678       20.87589 25.11000       51.20624 22.05983       22.86206 27.92169 11.53405 22.10372 8.092840 5.817972       14.09001 
1 1 1 11  32 9  o 41.93555 4.792235 89.38788       19.31824 76.34000       54.30409 91.27837       20.67042 36.50169 12.56001 42.28132 5.097248 -5.779636      13.55492 
1 1 1 11  32 10 o 75.59070 3.888972 285.3541       28.67788 234.5000       63.67511 298.2941       32.11991 64.69327 10.40855 77.13248 4.271001 -12.43922      11.25075 
1 1 1 11  32 11 o 43.76310 4.668276 97.23373       19.68888 52.14000       55.73331 103.6639       21.04589 32.28831 12.45691 45.14294 4.838288 -12.85463      13.36352 
1 1 1 11  32 12 o 24.34254 7.080640 31.63080       17.88060 30.92000       52.99628 31.72211       18.99436 28.72227 11.78562 24.40936 7.349212 4.312918       13.88927 
1 1 1 11  32 13 o 66.81174 4.383099 224.9162       28.50593 263.2000       59.88280 213.6991       32.41411 69.27673 9.046911 64.76304 5.155825 4.513687       10.41293 
1 1 1 11  32 14 o 63.32564 3.747091 200.7284       23.12247 173.1000       55.69883 206.4812       25.41600 54.62206 10.80055 64.10197 4.071741 -9.479904      11.54257 
1 1 1 11  32 15 o 24.49367 6.904564 32.33782       17.26210 26.28000       45.04601 33.38054       18.68878 26.57174 10.88021 24.85973 7.241138 1.712013       13.06955 
1 1 1 11  32 16 o 65.49775 3.655222 214.8205       23.34104 184.8000       52.59519 222.1830       26.04641 56.98143 9.782093 66.45651 4.022934 -9.475079      10.57702 
1 1 1 11  32 17 o 21.35528 8.109089 19.96508       23.36992 -15.56000      42.16383 35.71823       28.07735 20.45998 9.364854 25.94665 9.026217 -5.486666      13.00665 
1 1 1 11  32 18 f 53.93189 3.777600 146.4280       19.81586 85.97000       45.10864 160.8848       22.05819 37.34482 11.34307 56.44168 4.018967 -19.09686      12.03401 
1 1 1 11  32 19 o 58.86427 3.497023 173.7456       20.05833 205.3000       44.39206 165.6506       22.48448 61.49255 7.532348 57.24361 4.038745 4.248940       8.546797 
1 1 1 11  32 20 o 11.24603 5.251377 -12.19005      14.26885 0.000000       0.000000 -12.19005      14.26885 ?        ?        11.24603 5.251377 ?              ?        
1 1 1 11  32 21 o 70.90340 3.908376 253.6353       27.02007 0.000000       0.000000 253.6353       27.02007 ?        ?        70.90340 3.908376 ?              ?        
1 1 1 11  32 22 o 26.28543 7.603730 38.65264       20.67184 37.30000       28.69023 40.11300       29.81074 26.06391 9.120423 26.81900 9.302321 -0.7550850     13.02748 
1 1 1 11  32 23 o 60.74711 3.286451 184.8853       19.46879 146.0000       34.34962 203.2890       23.63098 51.92853 6.930770 63.45192 3.822516 -11.52340      7.914999 
1 1 1 11  32 24 o 44.87471 3.688942 101.8386       16.06059 82.19000       26.52075 113.2174       20.18221 38.52518 7.300044 47.00178 4.439401 -8.476601      8.543941 
1 1 1 11  32 25 o 45.01252 3.933604 102.9717       17.15730 95.86000       24.51462 109.8000       24.02107 42.36179 6.086697 45.73037 5.475073 -3.368584      8.186837 
1 1 1 11  32 26 o 52.23875 4.085992 138.9911       20.72668 0.000000       0.000000 138.9911       20.72668 ?        ?        52.23875 4.085992 ?              ?        
1 1 1 11  32 27 o 30.04706 12.73208 47.75000       64.83985 0.000000       0.000000 47.75000       64.83985 ?        ?        30.04706 12.73208 ?              ?        
1 1 1 11  32 28 o 38.42337 8.496539 86.28223       31.10593 0.000000       0.000000 86.28223       31.10593 ?        ?        38.42337 8.496539 ?              ?        
1 1 1 11  32 29 o 99.61282 5.313778 518.2688       51.62387 0.000000       0.000000 518.2688       51.62387 ?        ?        99.61282 5.313778 ?              ?        
1 1 1 11  32 30 o 19.55170 8.221345 10.72249       26.69975 0.000000       0.000000 10.72249       26.69975 ?        ?        19.55170 8.221345 ?              ?        
1 1 1 11  32 31 o 27.88140 9.114990 47.12608       28.63165 0.000000       0.000000 47.12608       28.63165 ?        ?        27.88140 9.114990 ?              ?        
1 1 1 11  32 32 o 41.46605 7.966292 99.88536       31.15891 0.000000       0.000000 99.88536       31.15891 ?        ?        41.46605 7.966292 ?              ?        
1 1 1 11  32 33 o 38.02308 8.532697 86.54495       30.97494 0.000000       0.000000 86.54495       30.97494 ?        ?        38.02308 8.532697 ?              ?        
1 1 1 11  32 34 o 21.10220 8.572991 18.58945       27.70203 0.000000       0.000000 18.58945       27.70203 ?        ?        21.10220 8.572991 ?              ?        
1 1 1 11  32 35 o 24.84633 9.008481 35.80392       28.22945 0.000000       0.000000 35.80392       28.22945 ?        ?        24.84633 9.008481 ?              ?        
1 1 1 11  32 36 o 27.51928 9.769694 47.13000       33.00987 0.000000       0.000000 47.13000       33.00987 ?        ?        27.51928 9.769694 ?              ?        
1 1 1 11  32 37 o 25.56754 9.081102 38.92774       28.52364 0.000000       0.000000 38.92774       28.52364 ?        ?        25.56754 9.081102 ?              ?        
1 1 1 11  32 38 o 34.06578 12.74922 88.96000       57.29892 0.000000       0.000000 88.96000       57.29892 ?        ?        34.06578 12.74922 ?              ?        
1 1 1 11  32 39 o 43.11877 7.688803 108.2204       31.26093 0.000000       0.000000 108.2204       31.26093 ?        ?        43.11877 7.688803 ?              ?        
1 1 1 11  32 40 o 19.52744 8.228959 12.22189       26.84134 0.000000       0.000000 12.22189       26.84134 ?        ?        19.52744 8.228959 ?              ?        
1 1 1 11  32 41 o 21.03428 8.506157 20.37422       27.12816 0.000000       0.000000 20.37422       27.12816 ?        ?        21.03428 8.506157 ?              ?        
1 1 1 11  32 42 o 20.94357 8.404875 21.09023       26.26648 0.000000       0.000000 21.09023       26.26648 ?        ?        20.94357 8.404875 ?              ?        
1 1 1 11  32 43 o 15.32341 7.076310 -9.750097      24.82716 0.000000       0.000000 -9.750097      24.82716 ?        ?        15.32341 7.076310 ?              ?        
1 1 1 11  33 0  o 70.99300 3.530224 250.9409       24.45454 219.6000       62.65091 256.5742       26.56153 62.33649 10.65003 71.69155 3.798672 -9.355064      11.30722 
1 1 1 11  33 1  o 29.90393 6.124913 47.22319       17.32450 34.42000       53.15407 48.74493       18.32517 29.39903 11.90025 30.31422 6.378173 -0.9151878     13.50174 
1 1 1 11  33 2  o 73.06960 3.525394 265.8302       25.14012 195.3000       62.48981 279.4500       27.46040 58.12424 11.39111 74.83508 3.760881 -16.71083      11.99590 
1 1 1 11  33 3  f 29.02695 6.265648 44.70553       17.27978 64.70000       54.06873 42.43105       18.23615 34.23255 12.45921 28.14970 6.713077 6.082848       14.15265 
1 1 1 11  33 4  o 26.50419 6.714725 37.64671       17.43749 70.23000       52.68627 33.63847       18.47893 35.10463 12.35355 25.07111 7.169569 10.03352       14.28331 
1 1 1 11  33 5  o 18.67814 7.142934 13.61435       18.21434 0.000000       0.000000 13.61435       18.21434 ?        ?        18.67814 7.142934 ?              ?        
1 1 1 11  33 6  o 45.41138 4.630250 104.6959       20.29378 3.580000       54.97128 120.6512       21.83626 25.64104 11.28809 48.77956 4.628737 -23.13853      12.20026 
1 1 1 11  33 7  o 71.60070 3.594133 255.8025       25.10884 225.8000       59.80541 262.2226       27.66519 63.41740 9.962512 72.36535 3.920319 -8.947945      10.70610 
1 1 1 11  33 8  o 74.83325 4.928778 284.1382       35.90173 298.9000       61.74967 276.6000       44.12633 74.13194 8.673653 73.06752 6.229085 1.064423       10.67866 
1 1 1 11  33 9  o 39.91085 7.057062 85.27200       26.56073 142.3000       52.36709 65.52000       30.81910 49.13934 11.14467 34.07365 9.077744 15.06569       14.37390 
1 1 1 11  33 10 o 17.47682 6.872653 10.52258       17.22405 98.19000       51.17137 -0.6789223     18.29136 40.06759 12.06241 15.24619 6.615290 24.82140       13.75732 
1 1 1 11  33 11 o 31.15665 7.804526 53.63458       23.74842 21.96000       50.51605 62.62106       26.90721 26.76917 11.28532 33.51212 8.257184 -6.742958      13.98354 
1 1 1 11  33 12 f 34.49406 7.466905 65.16604       24.47873 15.17000       50.15442 80.79967       28.04602 25.75361 11.06278 38.37366 7.734224 -12.62004      13.49827 
1 1 1 11  33 13 o 26.56300 6.878444 38.44923       18.02428 55.09000       47.39256 35.63524       19.48875 31.37598 11.62342 25.53947 7.381435 5.836508       13.76915 
1 1 1 11  33 14 o 19.59331 7.048667 18.15823       17.24109 3.369000       45.59401 20.62583       18.62398 23.28231 10.26381 20.60145 7.335768 2.680862       12.61584 
1 1 1 11  33 15 o 53.44758 5.354252 147.9351       27.63453 138.8000       47.93187 152.4833       33.82147 48.29161 10.44456 53.53889 6.592901 -5.247276      12.35132 
1 1 1 11  33 16 o 46.51532 4.403546 110.3779       19.81084 78.43000       43.75979 118.6137       22.21808 35.63660 11.23213 48.06050 4.786506 -12.42390      12.20948 
1 1 1 11  33 17 o 80.51440 3.951582 326.8678       31.04717 0.000000       0.000000 326.8678       31.04717 ?        ?        80.51440 3.951582 ?              ?        
1 1 1 11  33 18 o 58.68093 3.614648 173.1902       20.66124 90.58000       42.40329 198.9096       23.65990 38.30211 10.83003 62.78111 3.868946 -24.47900      11.50036 
1 1 1 11  33 19 o 85.30991 3.317671 364.1604       27.65097 299.5000       51.81870 389.9012       32.69476 74.39056 7.206596 87.97591 3.805718 -13.58536      8.149755 
1 1 1 11  33 20 o 38.82673 5.125687 78.64689       19.00464 0.000000       0.000000 78.64689       19.00464 ?        ?        38.82673 5.125687 ?              ?        
1 1 1 11  33 21 o 79.09439 3.881293 316.0641       29.95712 0.000000       0.000000 316.0641       29.95712 ?        ?        79.09439 3.881293 ?              ?        
1 1 1 11  33 22 o 52.84610 4.454156 143.0517       22.82583 118.8000       30.87549 172.2819       33.89683 46.66180 6.973607 56.90807 6.184603 -10.24627      9.320971 
1 1 1 11  33 23 o 48.01130 3.640514 116.5266       16.98100 107.1000       28.37364 121.7872       21.19607 44.36892 6.745404 48.68937 4.498326 -4.320442      8.107738 
1 1 1 11  33 24 o 23.17024 5.634297 29.09347       12.65326 62.12000       21.31260 11.11549       15.72444 33.56681 6.721251 16.91488 6.591559 16.65193       9.414024 
1 1 1 11  33 25 o 58.83448 3.077278 173.3913       17.66007 184.3000       28.83307 166.8419       22.34107 59.57558 4.990241 57.25293 4.011969 2.322643       6.402999 
1 1 1 11  33 26 o 23.43561 10.95477 -16.75000      62.35996 0.000000       0.000000 -16.75000      62.35996 ?        ?        23.43561 10.95477 ?              ?        
1 1 1 11  33 27 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  33 28 o 41.91767 8.184904 102.0411       32.37743 0.000000       0.000000 102.0411       32.37743 ?        ?        41.91767 8.184904 ?              ?        
1 1 1 11  33 29 o 20.80118 8.559618 16.43467       28.05707 0.000000       0.000000 16.43467       28.05707 ?        ?        20.80118 8.559618 ?              ?        
1 1 1 11  33 30 o 31.21552 9.030598 59.95573       29.15701 0.000000       0.000000 59.95573       29.15701 ?        ?        31.21552 9.030598 ?              ?        
1 1 1 11  33 31 o 19.59488 8.230722 11.95355       26.71609 0.000000       0.000000 11.95355       26.71609 ?        ?        19.59488 8.230722 ?              ?        
1 1 1 11  33 32 o 35.58650 8.492332 76.06971       29.16839 0.000000       0.000000 76.06971       29.16839 ?        ?        35.58650 8.492332 ?              ?        
1 1 1 11  33 33 o 29.80144 9.091326 55.26938       28.93476 0.000000       0.000000 55.26938       28.93476 ?        ?        29.80144 9.091326 ?              ?        
1 1 1 11  33 34 o 29.22467 9.072086 53.07991       28.65969 0.000000       0.000000 53.07991       28.65969 ?        ?        29.22467 9.072086 ?              ?        
1 1 1 11  33 35 o 16.83621 7.773604 -11.80000      29.94275 0.000000       0.000000 -11.80000      29.94275 ?        ?        16.83621 7.773604 ?              ?        
1 1 1 11  33 36 o 30.67734 9.212856 59.32618       29.87709 0.000000       0.000000 59.32618       29.87709 ?        ?        30.67734 9.212856 ?              ?        
1 1 1 11  33 37 o 27.10265 9.383352 45.81570       30.32615 0.000000       0.000000 45.81570       30.32615 ?        ?        27.10265 9.383352 ?              ?        
1 1 1 11  33 38 o 21.39043 8.549109 21.75044       27.06118 0.000000       0.000000 21.75044       27.06118 ?        ?        21.39043 8.549109 ?              ?        
1 1 1 11  33 39 f 31.70662 8.793818 62.88997       28.24501 0.000000       0.000000 62.88997       28.24501 ?        ?        31.70662 8.793818 ?              ?        
1 1 1 11  33 40 o 31.10368 8.907550 61.49197       28.50383 0.000000       0.000000 61.49197       28.50383 ?        ?        31.10368 8.907550 ?              ?        
1 1 1 11  33 41 o 18.97709 8.030048 11.91875       25.73146 0.000000       0.000000 11.91875       25.73146 ?        ?        18.97709 8.030048 ?              ?        
1 1 1 11  33 42 o 21.58208 8.503542 24.92055       26.41366 0.000000       0.000000 24.92055       26.41366 ?        ?        21.58208 8.503542 ?              ?        
1 1 1 11  34 0  o 57.17346 3.925531 164.2812       21.83512 71.37000       56.07592 180.8861       23.70612 34.83738 12.68702 59.95021 4.063854 -25.11283      13.32199 
1 1 1 11  34 1  o 59.74019 3.820922 179.0664       22.22585 169.2000       58.82275 180.7096       24.00539 53.09428 11.64016 59.89618 4.119614 -6.801895      12.34765 
1 1 1 11  34 2  o 42.97385 4.745913 94.37649       19.63103 29.68000       53.86563 104.2856       21.08087 28.30091 11.77248 45.15772 4.844917 -16.85680      12.73046 
1 1 1 11  34 3  o 42.29223 4.714693 91.41433       19.18582 54.31000       52.76833 97.06651       20.59535 31.79015 12.15770 43.51378 4.921739 -11.72363      13.11614 
1 1 1 11  34 4  o 42.89174 4.794773 94.17051       19.78620 28.86000       51.14386 105.6662       21.45699 27.74930 11.50088 45.41701 4.904314 -17.66770      12.50290 
1 1 1 11  34 5  o 28.75690 6.534687 44.61245       17.97465 3.202000       47.39531 51.56910       19.42587 23.78836 10.47662 30.93226 6.616164 -7.143896      12.39085 
1 1 1 11  34 6  o 21.64333 7.362425 23.81516       18.64725 0.000000       0.000000 23.81516       18.64725 ?        ?        21.64333 7.362425 ?              ?        
1 1 1 11  34 7  f 66.22456 4.046438 220.9260       26.10479 202.1000       58.14769 225.6781       29.21429 58.89931 10.46957 66.71307 4.500148 -7.813766      11.39576 
1 1 1 11  34 8  f 73.91626 3.662290 273.8058       26.41463 256.8000       60.29591 277.8445       29.38437 67.43069 9.389675 74.26419 4.057738 -6.833496      10.22894 
1 1 1 11  34 9  o 80.93438 4.259214 331.0601       33.62307 331.0000       63.18703 331.0838       39.71217 77.45676 8.472198 80.41083 5.071315 -2.954071      9.874025 
1 1 1 11  34 10 o 53.19283 5.419214 146.6856       27.82237 139.5000       52.69164 149.4635       32.76187 47.57017 11.45408 53.11096 6.432958 -5.540791      13.13693 
1 1 1 11  34 11 o 57.70005 4.058752 168.4031       22.77695 154.9000       52.04798 171.6016       25.33129 50.68988 10.81954 58.03783 4.494013 -7.347942      11.71575 
1 1 1 11  34 12 o 15.35329 6.587991 1.464393       17.74997 5.387000       44.00116 0.7020046      19.39835 23.03987 10.12257 15.81243 6.836825 7.227437       12.21510 
1 1 1 11  34 13 o 28.87731 6.941361 45.91325       19.37690 -7.312000      43.49665 59.09113       21.64311 21.44312 9.695567 32.83656 6.950677 -11.39344      11.92962 
1 1 1 11  34 14 o 57.20453 4.053657 165.7631       22.55077 114.1000       48.81868 179.7772       25.42602 42.54907 11.46504 59.40630 4.403919 -16.85722      12.28176 
1 1 1 11  34 15 o 44.94638 5.220174 105.1222       22.53931 0.000000       0.000000 105.1222       22.53931 ?        ?        44.94638 5.220174 ?              ?        
1 1 1 11  34 16 o 39.22690 4.902212 79.85342       18.41294 87.82000       38.76940 77.53307       20.92330 37.95373 10.21287 38.24110 5.769094 -0.2873688     11.72967 
1 1 1 11  34 17 o 28.25429 6.231785 43.44560       16.77102 40.72000       35.65009 44.22023       19.00539 27.23557 10.08268 28.23598 6.929146 -1.000410      12.23411 
1 1 1 11  34 18 o 50.39094 3.938338 128.8573       19.27128 105.9000       37.10075 137.3401       22.55237 42.47446 9.191109 51.75905 4.495989 -9.284588      10.23183 
1 1 1 11  34 19 o 15.23158 6.093673 7.341358       13.76269 -24.91000      27.10809 18.54115       15.97460 14.84698 7.026971 19.30541 6.801609 -4.458426      9.779581 
1 1 1 11  34 20 o 51.62738 4.306329 136.3045       21.56372 0.000000       0.000000 136.3045       21.56372 ?        ?        51.62738 4.306329 ?              ?        
1 1 1 11  34 21 o 29.26729 5.182491 45.41193       14.30333 52.26000       26.70459 42.65701       16.93776 29.84984 8.644551 27.86317 6.352005 1.986673       10.72736 
1 1 1 11  34 22 o 23.99946 7.547482 32.23002       19.76905 43.77000       24.57137 11.05000       33.28818 27.44572 8.378850 21.19615 9.056840 6.249571       12.33821 
1 1 1 11  34 23 o 14.24575 5.677590 6.531795       11.90176 -8.199000      21.37621 13.14997       14.32803 14.82698 6.740818 17.12284 6.381927 -2.295853      9.282652 
1 1 1 11  34 24 o 31.46557 4.689086 51.87436       14.00171 41.10000       21.62959 59.64610       18.37011 26.69534 7.794100 33.21305 5.865018 -6.517710      9.754304 
1 1 1 11  34 25 o 32.24450 5.064345 55.01476       15.45775 0.000000       0.000000 55.01476       15.45775 ?        ?        32.24450 5.064345 ?              ?        
1 1 1 11  34 26 o 35.30283 8.993420 75.66351       31.15955 0.000000       0.000000 75.66351       31.15955 ?        ?        35.30283 8.993420 ?              ?        
1 1 1 11  34 27 o 28.88969 9.351137 51.57640       30.17456 0.000000       0.000000 51.57640       30.17456 ?        ?        28.88969 9.351137 ?              ?        
1 1 1 11  34 28 o 12.56199 6.182253 -47.31334      26.73914 0.000000       0.000000 -47.31334      26.73914 ?        ?        12.56199 6.182253 ?              ?        
1 1 1 11  34 29 o 44.67845 9.896980 126.3000       42.14101 0.000000       0.000000 126.3000       42.14101 ?        ?        44.67845 9.896980 ?              ?        
1 1 1 11  34 30 o 20.29010 8.569219 13.01205       29.21082 0.000000       0.000000 13.01205       29.21082 ?        ?        20.29010 8.569219 ?              ?        
1 1 1 11  34 31 o 19.22257 8.203010 9.454399       27.24484 0.000000       0.000000 9.454399       27.24484 ?        ?        19.22257 8.203010 ?              ?        
1 1 1 11  34 32 o 35.78580 8.569611 77.77664       29.62073 0.000000       0.000000 77.77664       29.62073 ?        ?        35.78580 8.569611 ?              ?        
1 1 1 11  34 33 o 19.24543 8.422903 5.894000       30.20243 0.000000       0.000000 5.894000       30.20243 ?        ?        19.24543 8.422903 ?              ?        
1 1 1 11  34 34 o 14.81501 6.992594 -20.33565      26.50163 0.000000       0.000000 -20.33565      26.50163 ?        ?        14.81501 6.992594 ?              ?        
1 1 1 11  34 35 o 29.31156 12.09474 57.88000       56.22151 0.000000       0.000000 57.88000       56.22151 ?        ?        29.31156 12.09474 ?              ?        
1 1 1 11  34 36 o 21.84385 8.702330 23.47087       27.95016 0.000000       0.000000 23.47087       27.95016 ?        ?        21.84385 8.702330 ?              ?        
1 1 1 11  34 37 o 40.36099 8.027650 96.88592       30.59784 0.000000       0.000000 96.88592       30.59784 ?        ?        40.36099 8.027650 ?              ?        
1 1 1 11  34 38 o 18.28933 7.969629 5.959009       26.78504 0.000000       0.000000 5.959009       26.78504 ?        ?        18.28933 7.969629 ?              ?        
1 1 1 11  34 39 o 35.64472 8.411243 78.61524       28.87040 0.000000       0.000000 78.61524       28.87040 ?        ?        35.64472 8.411243 ?              ?        
1 1 1 11  34 40 o 19.18972 8.156063 12.42849       26.74466 0.000000       0.000000 12.42849       26.74466 ?        ?        19.18972 8.156063 ?              ?        
1 1 1 11  34 41 f 19.83075 8.274385 16.32894       26.72873 0.000000       0.000000 16.32894       26.72873 ?        ?        19.83075 8.274385 ?              ?        
1 1 1 11  35 0  o 43.24704 4.720851 96.10056       19.65988 43.46000       50.76155 105.3901       21.32413 29.33200 11.71364 45.23184 4.894252 -15.89984      12.69500 
1 1 1 11  35 1  o 48.85380 4.375624 121.6093       20.70265 59.85000       52.40849 133.0284       22.53545 32.02445 12.14744 51.02715 4.559896 -19.00270      12.97509 
1 1 1 11  35 2  o 33.18669 5.877761 58.58587       18.39461 139.5000       50.32798 46.11027       19.76187 47.83888 10.98066 28.91650 7.047260 18.92238       13.04756 
1 1 1 11  35 3  o 46.38581 4.500381 110.0039       20.17694 110.1000       49.67858 109.9850       22.08010 41.74323 11.69410 46.17260 4.963359 -4.429371      12.70382 
1 1 1 11  35 4  o 33.83447 5.963470 61.00576       19.02851 40.22000       47.44355 64.99039       20.77248 28.45818 11.33772 34.77521 6.335927 -6.317030      12.98799 
1 1 1 11  35 5  o 42.42461 5.420453 93.98312       21.99572 54.93000       48.04226 104.3405       24.74114 30.91868 11.65228 44.52972 5.815072 -13.61104      13.02270 
1 1 1 11  35 6  o 27.45976 7.206998 41.82560       19.61191 -6.735000      45.47653 52.92026       21.73713 21.91097 9.909798 30.86936 7.307950 -8.958384      12.31301 
1 1 1 11  35 7  o 24.35357 7.503137 32.53869       19.64705 0.000000       0.000000 32.53869       19.64705 ?        ?        24.35357 7.503137 ?              ?        
1 1 1 11  35 8  o 29.50664 8.403474 49.72784       25.43797 17.81000       46.97774 62.96895       30.25782 25.07615 10.73798 32.84148 9.099171 -7.765331      14.07477 
1 1 1 11  35 9  o 28.28026 10.18476 44.95522       36.00720 46.86000       46.79325 42.19000       56.37997 29.32700 11.38702 29.40739 12.12076 -0.8039093E-01 16.63061 
1 1 1 11  35 10 o 22.76696 7.937779 27.06568       21.72058 -13.14000      45.28388 39.07975       24.75398 21.12092 9.681505 26.37918 8.463495 -5.258265      12.85933 
1 1 1 11  35 11 o 25.92256 7.368613 37.48543       19.57716 -5.851000      44.89267 47.66219       21.75472 21.75171 9.841072 29.09685 7.567992 -7.345142      12.41456 
1 1 1 11  35 12 o 61.39812 3.967061 190.9520       23.71371 182.9000       51.24730 193.1458       26.74984 55.70807 9.753414 61.47032 4.476477 -5.762253      10.73163 
1 1 1 11  35 13 o 49.05163 5.078968 124.9162       24.03329 0.000000       0.000000 124.9162       24.03329 ?        ?        49.05163 5.078968 ?              ?        
1 1 1 11  35 14 o 55.29798 4.144071 155.6362       22.26754 118.2000       45.17608 167.6505       25.59243 43.66262 10.66383 57.14478 4.614615 -13.48216      11.61946 
1 1 1 11  35 15 o 19.50315 6.990500 18.68290       16.94032 6.529000       33.22535 22.95226       19.69217 20.61989 8.931486 21.22015 7.544550 -0.6002522     11.69152 
1 1 1 11  35 16 o 18.61662 6.808789 16.33231       16.17617 2.332000       30.26283 21.93244       19.13991 19.25925 8.430079 20.83452 7.434743 -1.575270      11.24018 
1 1 1 11  35 17 o 49.15688 3.937443 122.8451       18.78715 79.68000       33.44765 142.7402       22.70764 36.46254 9.333182 52.75120 4.438923 -16.28866      10.33500 
1 1 1 11  35 18 o 13.85738 5.915644 1.665416       14.17836 -16.26000      27.06447 8.445752       16.64526 15.75305 7.314167 16.46183 6.660853 -0.7087870     9.892624 
1 1 1 11  35 19 o 35.52112 4.608832 65.60329       15.64704 55.35000       28.90840 69.85181       18.60852 30.40210 9.046299 36.29092 5.403009 -5.888817      10.53698 
1 1 1 11  35 20 o 42.98487 4.945916 96.48447       20.43100 0.000000       0.000000 96.48447       20.43100 ?        ?        42.98487 4.945916 ?              ?        
1 1 1 11  35 21 o 24.62888 7.442823 34.39167       19.45543 38.05000       25.33153 29.13000       30.37959 25.69600 8.580791 23.89251 9.202435 1.803492       12.58232 
1 1 1 11  35 22 o 12.48477 5.305966 1.498609       11.31766 3.428000       22.38911 0.8363755      13.11694 17.07316 7.363278 13.14432 5.652066 3.928841       9.282441 
1 1 1 11  35 23 o 38.45483 4.341756 76.52624       16.05722 64.48000       25.33392 84.61517       20.75975 33.29187 7.894714 39.86012 5.464497 -6.568249      9.601418 
1 1 1 11  35 24 o 44.95461 3.345464 102.2380       14.61545 106.8000       24.35722 99.67129       18.27010 44.62866 5.706166 43.92186 4.304888 0.7067986      7.147894 
1 1 1 11  35 25 o 48.75297 7.200634 133.9591       33.32924 0.000000       0.000000 133.9591       33.32924 ?        ?        48.75297 7.200634 ?              ?        
1 1 1 11  35 26 o 17.94869 7.947226 0.7622975      27.62331 0.000000       0.000000 0.7622975      27.62331 ?        ?        17.94869 7.947226 ?              ?        
1 1 1 11  35 27 o 56.50970 6.678786 177.0709       36.22947 0.000000       0.000000 177.0709       36.22947 ?        ?        56.50970 6.678786 ?              ?        
1 1 1 11  35 28 o 31.80580 9.117815 63.17119       29.85088 0.000000       0.000000 63.17119       29.85088 ?        ?        31.80580 9.117815 ?              ?        
1 1 1 11  35 29 o 29.76921 9.156570 55.47044       29.27485 0.000000       0.000000 55.47044       29.27485 ?        ?        29.76921 9.156570 ?              ?        
1 1 1 11  35 30 o 21.15184 8.572927 19.77076       27.62606 0.000000       0.000000 19.77076       27.62606 ?        ?        21.15184 8.572927 ?              ?        
1 1 1 11  35 31 o 26.11905 9.972980 41.17000       35.47069 0.000000       0.000000 41.17000       35.47069 ?        ?        26.11905 9.972980 ?              ?        
1 1 1 11  35 32 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 11  35 33 o 62.68526 6.198279 215.2221       37.53414 0.000000       0.000000 215.2221       37.53414 ?        ?        62.68526 6.198279 ?              ?        
1 1 1 11  35 34 o 25.28652 11.25581 25.83000       56.15177 0.000000       0.000000 25.83000       56.15177 ?        ?        25.28652 11.25581 ?              ?        
1 1 1 11  35 35 o 23.45300 8.899812 31.13138       28.13858 0.000000       0.000000 31.13138       28.13858 ?        ?        23.45300 8.899812 ?              ?        
1 1 1 11  35 36 o 16.16125 7.393389 -7.578141      26.23448 0.000000       0.000000 -7.578141      26.23448 ?        ?        16.16125 7.393389 ?              ?        
1 1 1 11  35 37 o 17.14175 7.688761 -1.027992      26.73651 0.000000       0.000000 -1.027992      26.73651 ?        ?        17.14175 7.688761 ?              ?        
1 1 1 11  35 38 o 39.50205 8.162162 95.41499       30.51519 0.000000       0.000000 95.41499       30.51519 ?        ?        39.50205 8.162162 ?              ?        
1 1 1 11  35 39 o 26.65522 8.990436 46.47847       27.80211 0.000000       0.000000 46.47847       27.80211 ?        ?        26.65522 8.990436 ?              ?        
1 1 1 11  36 0  o 52.78705 4.150532 141.7348       21.27317 149.5000       51.46338 140.1345       23.36260 49.17653 10.97047 52.25591 4.614892 -3.079376      11.90162 
1 1 1 11  36 1  o 28.95591 6.546613 45.95990       18.11792 65.80000       47.02270 42.50099       19.63384 32.54557 11.64885 27.59527 7.195687 4.950302       13.69210 
1 1 1 11  36 2  o 17.18736 6.855956 10.08551       17.36984 -38.53000      46.51600 17.96287       18.72429 19.10875 9.090471 19.67632 7.302897 -0.5675678     11.66057 
1 1 1 11  36 3  o 36.98272 5.615102 72.36949       19.68849 30.68000       48.22516 80.70805       21.56780 26.80085 11.14300 38.98245 5.831248 -12.18160      12.57656 
1 1 1 11  36 4  o 38.87201 5.850964 80.32178       21.57275 53.72000       49.30591 86.61985       23.99093 30.40753 11.72050 40.14460 6.313621 -9.737072      13.31285 
1 1 1 11  36 5  o 28.74787 7.520943 46.60989       21.40249 1.000000       47.21047 58.40841       24.01168 22.88349 10.24414 32.11654 7.731550 -9.233049      12.83430 
1 1 1 11  36 6  o 32.86969 6.434494 58.84270       19.96084 48.46000       47.73950 61.04242       21.97382 29.37049 11.47375 33.21644 6.980567 -3.845949      13.43039 
1 1 1 11  36 7  o 37.43625 8.968946 82.28461       32.43402 0.000000       0.000000 82.28461       32.43402 ?        ?        37.43625 8.968946 ?              ?        
1 1 1 11  36 8  o 23.54911 9.280559 25.23694       31.46731 0.000000       0.000000 25.23694       31.46731 ?        ?        23.54911 9.280559 ?              ?        
1 1 1 11  36 9  o 48.40131 4.661723 120.7338       21.81275 110.6000       48.37482 123.3201       24.43818 41.32227 11.52634 48.61992 5.216570 -7.297649      12.65184 
1 1 1 11  36 10 o 24.12831 7.943429 32.18252       21.72863 -4.833000      44.05341 44.08271       24.97840 21.52065 9.741403 27.64306 8.449690 -6.122410      12.89543 
1 1 1 11  36 11 o 17.70534 7.600701 4.082645       23.64659 0.000000       0.000000 4.082645       23.64659 ?        ?        17.70534 7.600701 ?              ?        
1 1 1 11  36 12 o 15.44914 6.631526 2.039984       17.99752 -21.55000      38.19524 8.772391       20.40472 18.41407 8.596298 17.69205 7.291894 0.7220211      11.27245 
1 1 1 11  36 13 o 31.09699 6.518530 53.16949       19.20604 54.45000       39.09711 52.76219       22.04994 29.95060 10.63245 30.52002 7.447748 -0.5694122     12.98144 
1 1 1 11  36 14 o 23.00259 7.058077 29.25397       17.40720 18.49000       30.32712 34.54255       21.25762 21.91728 8.945307 24.76421 7.831590 -2.846930      11.88917 
1 1 1 11  36 15 o 30.48657 6.124056 50.68265       17.63979 27.92000       31.33512 61.24263       21.34281 23.87064 9.304186 33.23176 6.790929 -9.361124      11.51888 
1 1 1 11  36 16 o 27.03557 6.509823 40.62377       17.01976 19.96000       30.20312 50.23852       20.60232 22.07434 8.957632 29.80906 7.152481 -7.734720      11.46286 
1 1 1 11  36 17 o 32.23351 5.566476 55.70913       16.92807 71.34000       31.45462 49.33611       20.08471 34.31232 9.184187 29.57872 7.039404 4.733593       11.57162 
1 1 1 11  36 18 o 39.94735 4.437059 82.61677       17.05726 61.58000       31.16631 91.61258       20.38057 31.67214 9.385168 41.74102 5.093610 -10.06888      10.67831 
1 1 1 11  36 19 o 33.41928 5.116878 59.18465       16.20623 60.97000       28.74278 58.35253       19.62282 31.75750 8.894419 32.52138 6.392351 -0.7638836     10.95321 
1 1 1 11  36 20 o 26.02911 6.560090 37.96344       16.70530 0.000000       0.000000 37.96344       16.70530 ?        ?        26.02911 6.560090 ?              ?        
1 1 1 11  36 21 o 21.87733 7.868970 25.55808       21.48646 27.91000       23.00849 9.525000       60.07389 22.66129 8.143913 24.87529 11.30565 -2.213995      13.93345 
1 1 1 11  36 22 o 53.65065 3.777159 146.8349       19.70888 135.4000       31.77364 153.9862       25.12695 49.41348 6.745142 54.30194 4.775965 -4.888458      8.264792 
1 1 1 11  36 23 o 29.39157 4.498486 45.44108       12.53074 41.50000       20.70030 47.72050       15.74280 26.62829 7.579627 29.58414 5.642317 -2.955851      9.449152 
1 1 1 11  36 24 o 57.33932 6.271089 179.8256       34.62340 0.000000       0.000000 179.8256       34.62340 ?        ?        57.33932 6.271089 ?              ?        
1 1 1 11  36 25 o 31.19990 8.986460 60.72334       28.93189 0.000000       0.000000 60.72334       28.93189 ?        ?        31.19990 8.986460 ?              ?        
1 1 1 11  36 26 o 21.39808 8.618388 20.69037       27.72477 0.000000       0.000000 20.69037       27.72477 ?        ?        21.39808 8.618388 ?              ?        
1 1 1 11  36 27 o 35.49364 8.889480 77.91332       30.81378 0.000000       0.000000 77.91332       30.81378 ?        ?        35.49364 8.889480 ?              ?        
1 1 1 11  36 28 o 17.81670 7.836752 2.689771       26.44211 0.000000       0.000000 2.689771       26.44211 ?        ?        17.81670 7.836752 ?              ?        
1 1 1 11  36 29 o 36.88308 8.439126 82.57083       29.80553 0.000000       0.000000 82.57083       29.80553 ?        ?        36.88308 8.439126 ?              ?        
1 1 1 11  36 30 o 59.44026 6.254179 194.1611       35.84334 0.000000       0.000000 194.1611       35.84334 ?        ?        59.44026 6.254179 ?              ?        
1 1 1 11  36 31 o 24.52460 9.532583 34.29000       32.82051 0.000000       0.000000 34.29000       32.82051 ?        ?        24.52460 9.532583 ?              ?        
1 1 1 11  36 32 o 27.53974 9.288810 48.12321       29.67813 0.000000       0.000000 48.12321       29.67813 ?        ?        27.53974 9.288810 ?              ?        
1 1 1 11  36 33 o 29.06654 10.49407 57.28000       38.25617 0.000000       0.000000 57.28000       38.25617 ?        ?        29.06654 10.49407 ?              ?        
1 1 1 11  36 34 o 25.71146 11.40070 30.81000       57.04762 0.000000       0.000000 30.81000       57.04762 ?        ?        25.71146 11.40070 ?              ?        
1 1 1 11  36 35 o 21.21088 8.599816 21.52019       27.81064 0.000000       0.000000 21.52019       27.81064 ?        ?        21.21088 8.599816 ?              ?        
1 1 1 11  36 36 o 17.86338 7.832079 5.069160       26.21840 0.000000       0.000000 5.069160       26.21840 ?        ?        17.86338 7.832079 ?              ?        
1 1 1 11  36 37 o 20.90050 8.453510 21.80587       26.79858 0.000000       0.000000 21.80587       26.79858 ?        ?        20.90050 8.453510 ?              ?        
1 1 1 11  36 38 o 17.81251 7.796641 6.133636       25.88451 0.000000       0.000000 6.133636       25.88451 ?        ?        17.81251 7.796641 ?              ?        
1 1 1 11  37 0  o 55.70460 4.077965 158.0514       22.08112 113.6000       50.37607 168.6229       24.56689 41.36349 11.84057 57.35928 4.409444 -15.99579      12.63496 
1 1 1 11  37 1  f 44.18292 4.815406 101.3052       20.48878 51.47000       48.02219 112.3956       22.65417 29.62538 11.52641 46.42402 5.067584 -16.79864      12.59121 
1 1 1 11  37 2  o 18.39401 7.019147 14.64654       17.56390 -54.17000      44.21407 27.54094       19.13880 17.28840 8.385169 22.51806 7.456805 -5.229656      11.22118 
1 1 1 11  37 3  o 63.28270 4.249063 204.4242       26.16737 112.2000       51.99071 235.7122       30.28257 40.80072 12.12955 67.73951 4.594326 -26.93879      12.97050 
1 1 1 11  37 4  o 37.88539 5.458468 75.94663       19.65848 102.3000       47.20200 70.41636       21.62300 39.50946 11.50780 35.98482 6.372071 3.524639       13.15419 
1 1 1 11  37 5  o 22.00158 7.312501 26.10004       18.40088 57.55000       43.82598 19.36939       20.27450 30.57189 11.20304 20.25259 7.582916 10.31930       13.52807 
1 1 1 11  37 6  o 22.97889 8.430305 27.30108       24.82803 67.26000       42.34389 6.365779       30.64950 32.50495 11.09381 19.91282 8.601700 12.59213       14.03787 
1 1 1 11  37 7  o 13.69971 6.299106 -10.70514      19.37260 8.008000       40.02639 -16.42972      22.13833 22.14261 9.693536 13.99156 6.535941 8.151049       11.69116 
1 1 1 11  37 8  o 17.91916 7.260767 10.66043       19.81038 0.000000       0.000000 10.66043       19.81038 ?        ?        17.91916 7.260767 ?              ?        
1 1 1 11  37 9  o 36.36571 6.520860 72.40711       22.35878 0.000000       0.000000 72.40711       22.35878 ?        ?        36.36571 6.520860 ?              ?        
1 1 1 11  37 10 o 47.20447 4.630978 115.2649       21.12237 118.3000       43.25745 114.3147       24.20406 43.56723 10.30600 46.56183 5.411395 -2.994595      11.64031 
1 1 1 11  37 11 o 72.12415 4.373479 266.6976       30.73039 179.9000       49.24466 322.0558       39.32753 54.79403 9.527327 78.61370 5.139012 -23.81967      10.82494 
1 1 1 11  37 12 o 35.48034 5.930798 68.02063       19.87069 32.20000       38.71989 80.82736       23.15190 25.39735 10.20035 38.47827 6.369683 -13.08092      12.02580 
1 1 1 11  37 13 o 27.57530 6.965468 42.93139       18.80345 60.47000       38.35668 37.38310       21.57360 30.90740 10.55835 25.51970 7.862407 5.387705       13.16420 
1 1 1 11  37 14 o 44.78608 4.572458 104.0061       19.76374 91.92000       36.09826 109.1797       23.61804 38.61016 9.593946 45.39713 5.422155 -6.786964      11.02014 
1 1 1 11  37 15 o 29.72753 6.448225 49.12393       18.22219 34.53000       32.66243 55.71889       21.95677 25.11694 9.574977 31.22202 7.313602 -6.105080      12.04861 
1 1 1 11  37 16 o 17.12947 6.733067 11.51162       16.52512 40.37000       28.96777 -2.410481      20.12016 26.23868 9.165627 15.24005 6.763395 10.99863       11.39088 
1 1 1 11  37 17 o 57.71122 3.876559 169.8636       21.77140 139.8000       36.40637 186.6001       27.16373 49.46829 7.774933 59.96799 4.664340 -10.49970      9.066733 
1 1 1 11  37 18 o 15.37436 6.351122 6.210974       15.52665 6.060000       28.39433 6.275373       18.54485 19.01943 8.247386 16.37323 6.866185 2.646196       10.73144 
1 1 1 11  37 19 o 81.85485 3.264295 337.8061       26.10167 289.2000       46.35453 360.3726       31.58489 72.53913 6.600720 84.07318 3.848300 -11.53405      7.640610 
1 1 1 11  37 20 o 18.21468 7.180126 13.92247       18.83970 0.000000       0.000000 13.92247       18.83970 ?        ?        18.21468 7.180126 ?              ?        
1 1 1 11  37 21 o 22.34476 7.213583 28.25761       17.96354 16.65000       23.58583 44.29187       27.72070 19.83767 7.963284 26.91711 8.976061 -7.079445      11.99932 
1 1 1 11  37 22 o 13.69301 5.497232 5.997576       11.24089 13.26000       19.63033 2.454367       13.71150 18.18739 7.277160 13.68925 5.829822 4.498144       9.324370 
1 1 1 11  37 23 o 27.28246 4.602631 39.48842       11.85435 42.11000       19.17783 37.86740       15.08037 26.92570 7.155189 26.04576 6.033721 0.8799438      9.359622 
1 1 1 11  37 24 o 22.00031 8.801625 23.17043       28.71248 0.000000       0.000000 23.17043       28.71248 ?        ?        22.00031 8.801625 ?              ?        
1 1 1 11  37 25 o 23.89829 8.918611 32.64101       27.99949 0.000000       0.000000 32.64101       27.99949 ?        ?        23.89829 8.918611 ?              ?        
1 1 1 11  37 26 o 35.52440 8.563163 77.27439       29.42497 0.000000       0.000000 77.27439       29.42497 ?        ?        35.52440 8.563163 ?              ?        
1 1 1 11  37 27 o 26.96687 9.207915 45.55434       29.17166 0.000000       0.000000 45.55434       29.17166 ?        ?        26.96687 9.207915 ?              ?        
1 1 1 11  37 28 o 19.59348 8.267800 12.55375       27.15350 0.000000       0.000000 12.55375       27.15350 ?        ?        19.59348 8.267800 ?              ?        
1 1 1 11  37 29 o 29.55845 9.845722 57.41000       33.35423 0.000000       0.000000 57.41000       33.35423 ?        ?        29.55845 9.845722 ?              ?        
1 1 1 11  37 30 o 18.63426 8.078454 7.225727       27.22991 0.000000       0.000000 7.225727       27.22991 ?        ?        18.63426 8.078454 ?              ?        
1 1 1 11  37 31 o 18.91923 9.192203 -48.05000      53.75138 0.000000       0.000000 -48.05000      53.75138 ?        ?        18.91923 9.192203 ?              ?        
1 1 1 11  37 32 o 33.28311 8.663773 69.28547       28.49540 0.000000       0.000000 69.28547       28.49540 ?        ?        33.28311 8.663773 ?              ?        
1 1 1 11  37 33 o 25.16833 8.892336 39.39490       27.31963 0.000000       0.000000 39.39490       27.31963 ?        ?        25.16833 8.892336 ?              ?        
1 1 1 11  37 34 o 51.41732 6.766788 150.8775       33.23053 0.000000       0.000000 150.8775       33.23053 ?        ?        51.41732 6.766788 ?              ?        
1 1 1 11  37 35 o 15.21222 7.161510 -16.78000      27.47396 0.000000       0.000000 -16.78000      27.47396 ?        ?        15.21222 7.161510 ?              ?        
1 1 1 11  37 36 o 45.55599 13.48818 181.3000       64.39504 0.000000       0.000000 181.3000       64.39504 ?        ?        45.55599 13.48818 ?              ?        
1 1 1 11  38 0  o 20.61606 7.265884 22.06985       18.23105 16.87000       40.99196 23.35198       20.35496 23.33323 10.01185 21.26414 7.657632 2.069086       12.60462 
1 1 1 11  38 1  o 47.26244 5.024700 116.8472       22.88930 67.68000       45.86277 133.1562       26.41414 32.10760 11.50285 50.19702 5.463991 -18.08942      12.73462 
1 1 1 11  38 2  o 15.41642 6.692134 0.9704889      18.73593 -19.38000      42.41809 5.903123       20.88349 19.45045 9.073138 17.11437 7.237633 2.336082       11.60626 
1 1 1 11  38 3  o 42.00489 5.022807 92.56000       20.24267 92.69000       46.15451 92.52903       22.52465 37.08701 11.51273 41.62561 5.676007 -4.538601      12.83589 
1 1 1 11  38 4  o 17.17185 7.581814 -0.5223239     24.97073 45.68000       42.66861 -24.58842      30.79494 27.98969 10.87196 15.91248 7.518787 12.07721       13.21861 
1 1 1 11  38 5  o 23.23621 9.351416 24.58118       32.61400 11.40000       41.92608 44.78000       51.90031 22.69769 9.929098 28.36446 11.65361 -5.666767      15.30992 
1 1 1 11  38 6  o 26.53004 7.184821 40.05800       19.11396 41.56000       40.92095 39.63884       21.61706 27.14517 10.61745 26.19736 7.829363 0.9478092      13.19201 
1 1 1 11  38 7  o 44.84243 5.571226 106.9676       23.92804 0.000000       0.000000 106.9676       23.92804 ?        ?        44.84243 5.571226 ?              ?        
1 1 1 11  38 8  o 32.91005 6.290762 59.53142       19.52616 -0.3983000E-01 41.01024 76.99515       22.20458 21.08986 9.485899 37.54824 6.261930 -16.45837      11.36636 
1 1 1 11  38 9  f 23.42913 7.816419 30.82991       21.02033 0.000000       0.000000 30.82991       21.02033 ?        ?        23.42913 7.816419 ?              ?        
1 1 1 11  38 10 o 23.29621 7.882055 30.42307       21.36985 0.000000       0.000000 30.42307       21.36985 ?        ?        23.29621 7.882055 ?              ?        
1 1 1 11  38 11 o 26.75107 7.268450 41.06134       19.52357 5.369000       39.86746 52.32135       22.39239 21.43370 9.515812 30.03852 7.608621 -8.604824      12.18367 
1 1 1 11  38 12 o 15.12808 6.781098 -4.291896      20.75930 4.705000       38.58294 -7.957603      24.62793 21.09529 9.363655 15.87921 7.225508 5.216083       11.82734 
1 1 1 11  38 13 o 24.57413 7.337713 34.61146       18.99387 23.27000       39.50452 38.02160       21.66200 23.75703 9.995604 25.55063 7.879660 -1.793600      12.72797 
1 1 1 11  38 14 o 17.83145 6.904762 13.71768       17.16979 7.816000       30.55004 16.44254       20.75847 19.76584 8.562950 19.31907 7.560457 0.4467716      11.42299 
1 1 1 11  38 15 o 49.47230 4.272846 126.4866       20.48860 77.03000       35.49306 151.2028       25.09127 34.53616 9.955257 53.74223 4.820973 -19.20608      11.06114 
1 1 1 11  38 16 o 13.80783 6.177560 -3.607456      17.14026 -10.85000      28.61283 0.4461845      21.40611 16.58565 7.636707 16.05160 7.056054 0.5340443      10.39746 
1 1 1 11  38 17 o 34.10542 5.512203 62.93298       17.77418 33.97000       31.61436 76.31910       21.49266 24.53819 9.403856 37.24333 6.107193 -12.70514      11.21295 
1 1 1 11  38 18 o 50.22898 3.969843 129.7131       19.35935 98.98000       33.93885 144.5360       23.57004 40.19325 8.865051 52.59589 4.625343 -12.40264      9.999146 
1 1 1 11  38 19 o 42.17458 4.806098 93.82940       19.48673 108.9000       30.58592 83.53226       25.28218 43.44152 7.461765 38.29286 7.003120 5.148666       10.23336 
1 1 1 11  38 20 o 39.41293 5.247058 83.16849       19.73992 0.000000       0.000000 83.16849       19.73992 ?        ?        39.41293 5.247058 ?              ?        
1 1 1 11  38 21 o 15.70018 6.502451 6.817832       16.33282 0.5538000      20.50485 17.69052       27.01457 15.74092 6.913146 20.60822 8.430587 -4.867293      10.90259 
1 1 1 11  38 22 o 26.66880 5.023162 38.36175       12.63161 33.21000       21.17648 41.20717       15.73799 23.81997 7.841849 27.13520 6.076707 -3.315224      9.920734 
1 1 1 11  38 23 o 16.98456 7.698543 -4.744298      27.62612 0.000000       0.000000 -4.744298      27.62612 ?        ?        16.98456 7.698543 ?              ?        
1 1 1 11  38 24 o 16.57733 7.564050 -6.936358      27.22785 0.000000       0.000000 -6.936358      27.22785 ?        ?        16.57733 7.564050 ?              ?        
1 1 1 11  38 25 o 25.70267 9.147936 40.63456       28.95874 0.000000       0.000000 40.63456       28.95874 ?        ?        25.70267 9.147936 ?              ?        
1 1 1 11  38 26 o 37.87614 8.472606 87.66258       30.62405 0.000000       0.000000 87.66258       30.62405 ?        ?        37.87614 8.472606 ?              ?        
1 1 1 11  38 27 o 53.32367 6.739170 159.9550       34.39067 0.000000       0.000000 159.9550       34.39067 ?        ?        53.32367 6.739170 ?              ?        
1 1 1 11  38 28 o 29.54350 9.893661 58.26000       33.67272 0.000000       0.000000 58.26000       33.67272 ?        ?        29.54350 9.893661 ?              ?        
1 1 1 11  38 29 o 20.61330 8.446079 18.73512       27.16795 0.000000       0.000000 18.73512       27.16795 ?        ?        20.61330 8.446079 ?              ?        
1 1 1 11  38 30 o 25.52685 11.35377 30.65000       57.01761 0.000000       0.000000 30.65000       57.01761 ?        ?        25.52685 11.35377 ?              ?        
1 1 1 11  38 31 o 16.16949 7.360009 -5.301715      25.57971 0.000000       0.000000 -5.301715      25.57971 ?        ?        16.16949 7.360009 ?              ?        
1 1 1 11  38 32 o 21.83316 8.593578 25.76965       26.95134 0.000000       0.000000 25.76965       26.95134 ?        ?        21.83316 8.593578 ?              ?        
1 1 1 11  38 33 o 21.69459 8.496037 25.98623       26.22920 0.000000       0.000000 25.98623       26.22920 ?        ?        21.69459 8.496037 ?              ?        
1 1 1 11  38 34 o 16.98855 7.568266 2.016308       25.43946 0.000000       0.000000 2.016308       25.43946 ?        ?        16.98855 7.568266 ?              ?        
1 1 1 11  38 35 o 23.55898 10.78668 22.58000       55.99687 0.000000       0.000000 22.58000       55.99687 ?        ?        23.55898 10.78668 ?              ?        
1 1 1 11  39 0  o 33.87219 6.390334 63.46626       20.41053 97.49000       44.36023 54.32909       22.98839 37.99229 11.18104 30.53104 7.695942 7.461250       13.57362 
1 1 1 11  39 1  o 31.50300 6.957880 56.20408       20.88178 9.508000       44.19623 69.62419       23.69316 22.63909 10.03675 35.03235 7.151742 -12.39326      12.32411 
1 1 1 11  39 2  o 23.28717 7.337391 30.70020       18.67530 38.50000       44.79808 29.05959       20.54573 26.65354 10.87440 22.81396 7.728512 3.839571       13.34101 
1 1 1 11  39 3  o 33.10123 9.883538 69.72254       34.46056 24.04000       46.34737 126.2000       51.53326 24.75489 10.63421 42.62087 11.89965 -17.86598      15.95895 
1 1 1 11  39 4  o 40.31821 5.988726 88.18038       22.91736 0.000000       0.000000 88.18038       22.91736 ?        ?        40.31821 5.988726 ?              ?        
1 1 1 11  39 5  o 31.92018 6.484395 56.73217       19.56805 7.786000       43.57726 69.09435       21.90019 22.31619 9.925763 35.24343 6.590621 -12.92723      11.91457 
1 1 1 11  39 6  o 15.44743 6.663222 2.236988       18.34005 31.23000       40.76333 -5.121406      20.53594 25.11423 10.32408 14.88596 6.702559 10.22827       12.30898 
1 1 1 11  39 7  o 24.09921 7.414742 33.32696       19.19473 12.14000       41.26139 39.17830       21.68390 22.39641 9.822265 25.86360 7.866246 -3.467190      12.58391 
1 1 1 11  39 8  o 46.82832 4.831820 114.9955       21.82991 86.41000       44.91148 123.8383       24.97923 35.25051 11.40821 48.23569 5.382193 -12.98518      12.61409 
1 1 1 11  39 9  o 22.25958 7.503158 27.73382       19.36445 24.15000       40.43568 28.80033       22.05840 23.84759 10.07742 22.72327 7.993626 1.124327       12.86283 
1 1 1 11  39 10 o 22.30077 7.962886 27.41552       21.95916 0.000000       0.000000 27.41552       21.95916 ?        ?        22.30077 7.962886 ?              ?        
1 1 1 11  39 11 o 25.08876 8.019254 37.15868       22.23909 0.000000       0.000000 37.15868       22.23909 ?        ?        25.08876 8.019254 ?              ?        
1 1 1 11  39 12 o 16.17349 7.030239 2.443096       20.73467 -20.13000      37.92836 12.06480       24.76250 17.96568 8.444239 19.08216 7.963299 -1.116480      11.60686 
1 1 1 11  39 13 o 20.83843 7.812574 22.41783       21.53598 60.00000       38.58899 5.417574       25.95376 29.96468 10.57007 18.15355 7.878371 11.81112       13.18314 
1 1 1 11  39 14 o 12.31120 5.768244 -13.56040      17.45919 -20.17000      29.22720 -9.893239      21.77031 15.65442 7.374872 14.49800 6.670314 1.156422       9.943934 
1 1 1 11  39 15 o 28.55447 6.983177 47.15253       19.35319 43.65000       32.18195 49.13678       24.22260 26.50296 9.617148 28.41514 8.234211 -1.912182      12.66064 
1 1 1 11  39 16 o 20.66472 6.999116 23.62086       16.85058 43.41000       29.28501 13.82608       20.60295 26.45282 9.217304 18.48361 7.434734 7.969210       11.84204 
1 1 1 11  39 17 o 17.99702 7.159649 13.35805       18.89280 23.53000       27.65124 4.451562       25.87411 21.83895 8.670218 17.92310 7.821100 3.915844       11.67657 
1 1 1 11  39 18 o 25.89508 6.442272 38.10086       16.26238 59.50000       28.52822 27.79984       19.79322 30.77976 8.941026 22.15833 7.584229 8.621428       11.72444 
1 1 1 11  39 19 o 19.91204 6.511534 21.88346       14.61121 0.9957000      23.39913 35.23330       18.70646 16.64982 7.345848 24.53665 7.271083 -7.886822      10.33587 
1 1 1 11  39 20 o 21.52011 7.104463 26.25138       17.37696 0.000000       0.000000 26.25138       17.37696 ?        ?        21.52011 7.104463 ?              ?        
1 1 1 11  39 21 o 24.70194 7.008591 35.50524       17.72739 48.37000       22.49520 14.42370       28.79654 28.34122 7.843079 20.20216 8.518899 8.139057       11.57953 
1 1 1 11  39 22 o 34.03014 5.021625 62.07135       16.22487 0.000000       0.000000 62.07135       16.22487 ?        ?        34.03014 5.021625 ?              ?        
1 1 1 11  39 23 o 32.47876 9.258470 67.94460       30.86349 0.000000       0.000000 67.94460       30.86349 ?        ?        32.47876 9.258470 ?              ?        
1 1 1 11  39 24 o 35.44502 8.970176 79.36429       31.14299 0.000000       0.000000 79.36429       31.14299 ?        ?        35.44502 8.970176 ?              ?        
1 1 1 11  39 25 o 54.78282 6.635138 168.5627       34.85532 0.000000       0.000000 168.5627       34.85532 ?        ?        54.78282 6.635138 ?              ?        
1 1 1 11  39 26 o 20.57040 8.888741 13.29000       32.75093 0.000000       0.000000 13.29000       32.75093 ?        ?        20.57040 8.888741 ?              ?        
1 1 1 11  39 27 o 29.27916 9.105499 55.51412       28.85664 0.000000       0.000000 55.51412       28.85664 ?        ?        29.27916 9.105499 ?              ?        
1 1 1 11  39 28 f 28.28169 11.95969 56.19000       57.01849 0.000000       0.000000 56.19000       57.01849 ?        ?        28.28169 11.95969 ?              ?        
1 1 1 11  39 29 o 14.76067 6.931852 -15.96838      25.46326 0.000000       0.000000 -15.96838      25.46326 ?        ?        14.76067 6.931852 ?              ?        
1 1 1 11  39 30 o 19.35604 8.092670 14.72407       25.64456 0.000000       0.000000 14.72407       25.64456 ?        ?        19.35604 8.092670 ?              ?        
1 1 1 11  39 31 o 45.32906 7.076218 120.2686       30.37136 0.000000       0.000000 120.2686       30.37136 ?        ?        45.32906 7.076218 ?              ?        
1 1 1 11  39 32 o 19.84617 8.196037 18.16672       25.84726 0.000000       0.000000 18.16672       25.84726 ?        ?        19.84617 8.196037 ?              ?        
1 1 1 11  39 33 o 26.68570 8.733041 47.32401       26.27930 0.000000       0.000000 47.32401       26.27930 ?        ?        26.68570 8.733041 ?              ?        
1 1 1 11  40 0  o 27.66132 7.552351 45.12590       21.01873 56.12000       45.83255 42.19792       23.65260 29.01421 11.26842 26.46981 8.245535 2.544397       13.96303 
1 1 1 11  40 1  o 48.70980 4.593304 124.0448       21.64160 130.2000       49.29105 122.5749       24.08747 43.17620 11.46998 47.98878 5.211550 -4.812584      12.59844 
1 1 1 11  40 2  o 23.98290 9.468013 31.12365       32.80256 0.000000       0.000000 31.12365       32.80256 ?        ?        23.98290 9.468013 ?              ?        
1 1 1 11  40 3  o 40.53955 5.447478 88.46644       21.06968 63.34000       46.63285 94.91150       23.61784 30.18402 11.45641 41.65200 5.962827 -11.46799      12.91529 
1 1 1 11  40 4  o 17.77945 7.070541 12.85617       18.41901 -16.12000      42.67637 19.48934       20.41868 19.33248 9.045142 19.88590 7.573013 -0.5534248     11.79683 
1 1 1 11  40 5  o 36.24498 5.958102 72.21384       20.40407 40.23000       44.53165 80.71281       22.95551 26.33613 10.80467 38.06014 6.387936 -11.72401      12.55175 
1 1 1 11  40 6  o 33.41745 6.628465 63.12944       20.91583 21.00000       43.87435 75.51976       23.79355 23.57333 10.23681 36.41121 6.929098 -12.83787      12.36142 
1 1 1 11  40 7  o 20.16770 7.477625 20.99179       19.62177 12.95000       41.45377 23.31382       22.27520 22.21249 9.789667 21.12533 7.940176 1.087156       12.60492 
1 1 1 11  40 8  f 40.79880 5.464957 89.73512       21.27593 43.54000       42.37836 105.3024       24.60099 26.72880 10.69312 43.94523 5.865531 -17.21644      12.19620 
1 1 1 11  40 9  o 24.61583 7.497179 35.63009       19.68771 -13.12000      38.90597 52.41043       22.82596 18.77077 8.733698 29.60742 7.777313 -10.83666      11.69462 
1 1 1 11  40 10 o 22.76671 8.028013 29.66082       22.25836 0.000000       0.000000 29.66082       22.25836 ?        ?        22.76671 8.028013 ?              ?        
1 1 1 11  40 11 o 42.67053 6.018023 100.1266       24.43838 0.000000       0.000000 100.1266       24.43838 ?        ?        42.67053 6.018023 ?              ?        
1 1 1 11  40 12 o 28.31123 7.240197 46.99398       20.14082 85.47000       39.43889 33.41921       23.42587 35.28764 10.58206 23.83592 8.247291 11.45171       13.41633 
1 1 1 11  40 13 o 21.95699 7.942965 26.77323       21.93044 38.60000       33.23265 17.65000       29.18813 25.37819 9.662120 20.88557 8.675060 4.492619       12.98512 
1 1 1 11  40 14 o 21.22419 7.187476 25.21714       17.76970 25.59000       31.11122 25.03660       21.64836 22.63611 9.125148 21.46272 7.872334 1.173395       12.05164 
1 1 1 11  40 15 o 58.90881 3.840481 178.1319       22.02409 163.9000       37.80573 185.4431       27.09697 53.27076 7.454176 59.43789 4.695600 -6.167133      8.809847 
1 1 1 11  40 16 o 19.03284 7.420837 16.90132       19.93832 2.009000       27.65591 33.01904       28.77124 17.89816 7.936977 23.86392 9.012098 -5.965761      12.00889 
1 1 1 11  40 17 o 33.45726 5.544103 61.11960       17.52104 78.40000       30.41586 52.53760       21.43469 35.38947 8.813957 29.81882 7.383207 5.570646       11.49772 
1 1 1 11  40 18 o 31.25302 5.547966 53.51751       16.35034 48.91000       26.44544 56.36858       20.80280 27.91184 8.722449 31.16961 6.991105 -3.257767      11.17840 
1 1 1 11  40 19 o 17.41276 6.426653 14.90103       14.46434 14.91000       23.51539 14.89557       18.34533 19.22172 7.864786 18.18284 7.109884 1.038879       10.60214 
1 1 1 11  40 20 o 43.78704 4.950015 102.0465       20.84418 0.000000       0.000000 102.0465       20.84418 ?        ?        43.78704 4.950015 ?              ?        
1 1 1 11  40 21 o 30.57887 5.659925 51.56118       16.31719 0.000000       0.000000 51.56118       16.31719 ?        ?        30.57887 5.659925 ?              ?        
1 1 1 11  40 22 o 17.80097 7.958406 0.4491552      28.39290 0.000000       0.000000 0.4491552      28.39290 ?        ?        17.80097 7.958406 ?              ?        
1 1 1 11  40 23 o 22.22987 8.914585 25.69056       29.52641 0.000000       0.000000 25.69056       29.52641 ?        ?        22.22987 8.914585 ?              ?        
1 1 1 11  40 24 o 26.95876 9.218594 46.93452       29.24153 0.000000       0.000000 46.93452       29.24153 ?        ?        26.95876 9.218594 ?              ?        
1 1 1 11  40 25 o 22.96964 9.286351 28.30000       32.32323 0.000000       0.000000 28.30000       32.32323 ?        ?        22.96964 9.286351 ?              ?        
1 1 1 11  40 26 f 18.47003 8.073050 6.857308       27.66656 0.000000       0.000000 6.857308       27.66656 ?        ?        18.47003 8.073050 ?              ?        
1 1 1 11  40 27 o 23.32511 10.70832 13.91000       55.68857 0.000000       0.000000 13.91000       55.68857 ?        ?        23.32511 10.70832 ?              ?        
1 1 1 11  40 28 o 27.68062 9.003744 50.57003       27.95475 0.000000       0.000000 50.57003       27.95475 ?        ?        27.68062 9.003744 ?              ?        
1 1 1 11  40 29 o 16.85352 7.535109 1.068447       25.45544 0.000000       0.000000 1.068447       25.45544 ?        ?        16.85352 7.535109 ?              ?        
1 1 1 11  40 30 o 37.92814 8.215719 90.67451       29.61711 0.000000       0.000000 90.67451       29.61711 ?        ?        37.92814 8.215719 ?              ?        
1 1 1 11  40 31 o 27.76004 11.86818 64.66000       57.21973 0.000000       0.000000 64.66000       57.21973 ?        ?        27.76004 11.86818 ?              ?        
1 1 1 11  41 0  o 23.62640 7.843736 32.89304       21.17297 0.000000       0.000000 32.89304       21.17297 ?        ?        23.62640 7.843736 ?              ?        
1 1 1 11  41 1  o 24.12190 10.32287 27.16000       43.36599 27.16000       43.36599 0.000000       0.000000 24.12190 10.32287 ?        ?        ?              ?        
1 1 1 11  41 2  o 37.96270 5.778770 78.96854       20.79668 9.571000       45.39961 97.39795       23.39569 22.21753 9.987917 42.18957 5.820217 -19.97204      11.55999 
1 1 1 11  41 3  o 23.49956 7.432479 32.32117       19.14570 -15.26000      42.38639 44.51744       21.45964 19.21177 8.996972 27.24704 7.704528 -8.035263      11.84505 
1 1 1 11  41 4  o 36.87931 5.788892 74.60975       20.20957 97.54000       44.68102 68.71207       22.65997 36.79204 11.31139 34.58023 6.936145 2.211815       13.26867 
1 1 1 11  41 5  o 14.99695 6.565505 0.7606330      18.36303 -0.2920000     40.57037 1.031844       20.59322 20.35927 9.267861 15.78264 6.929857 4.576627       11.57222 
1 1 1 11  41 6  o 30.53014 6.901323 53.79709       20.13744 49.68000       42.48549 54.99006       22.86959 27.58157 10.80956 30.33879 7.691770 -2.757221      13.26687 
1 1 1 11  41 7  o 16.34013 6.880510 6.652760       18.74226 3.681000       39.51228 7.515521       21.28975 20.63776 9.294337 17.23442 7.298939 3.403334       11.81775 
1 1 1 11  41 8  o 18.75561 7.270443 16.37092       19.05204 -38.52000      39.69953 32.79560       21.71618 16.72898 8.072907 23.61618 7.945663 -6.887203      11.32720 
1 1 1 11  41 9  o 20.49152 7.517627 22.37695       19.74305 -3.913000      39.88809 30.90749       22.72149 19.84635 9.093212 23.08623 8.113565 -3.239882      12.18673 
1 1 1 11  41 10 o 13.89508 6.295553 -5.457081      18.45115 -56.47000      38.35429 9.903784       21.04659 15.14849 7.445087 17.63084 7.348341 -2.482350      10.46076 
1 1 1 11  41 11 o 18.19130 7.628566 10.56482       22.89153 0.000000       0.000000 10.56482       22.89153 ?        ?        18.19130 7.628566 ?              ?        
1 1 1 11  41 12 o 26.39723 8.523090 43.21548       25.07690 0.000000       0.000000 43.21548       25.07690 ?        ?        26.39723 8.523090 ?              ?        
1 1 1 11  41 13 o 16.77226 6.975884 8.574645       18.90985 18.38000       29.10835 1.414909       24.87336 20.87879 8.666942 17.05834 7.547712 3.820452       11.49277 
1 1 1 11  41 14 o 18.06898 7.517494 11.08869       21.96975 22.82000       29.54692 -3.417111      32.85563 21.74261 8.846182 18.34053 8.345539 3.402079       12.16154 
1 1 1 11  41 15 o 30.38637 6.347670 52.38047       18.27015 74.65000       31.35869 40.93669       22.47953 34.00716 9.199830 25.90427 8.033510 8.102888       12.21369 
1 1 1 11  41 16 o 24.21919 6.879792 34.20630       17.07163 -3.930000      27.79237 57.31449       21.63412 17.02548 7.718912 31.21574 7.223669 -14.19027      10.57180 
1 1 1 11  41 17 o 43.80682 4.374361 100.5195       18.50643 70.34000       30.23689 118.5966       23.40155 33.07929 9.069156 47.02672 5.168980 -13.94743      10.43877 
1 1 1 11  41 18 o 45.51141 4.182802 107.8538       18.42523 68.55000       30.76760 129.8304       23.00681 32.47528 9.239666 49.50178 4.808724 -17.02650      10.41611 
1 1 1 11  41 19 o 55.43977 3.571472 157.2497       19.27783 181.2000       33.06144 144.9120       23.72929 57.39401 5.972278 52.41291 4.674300 4.981098       7.584009 
1 1 1 11  41 20 o 16.62123 7.621517 -7.129892      28.09573 0.000000       0.000000 -7.129892      28.09573 ?        ?        16.62123 7.621517 ?              ?        
1 1 1 11  41 21 o 26.13014 9.258584 43.91122       29.63385 0.000000       0.000000 43.91122       29.63385 ?        ?        26.13014 9.258584 ?              ?        
1 1 1 11  41 22 o 15.95332 7.373475 -10.03034      27.03982 0.000000       0.000000 -10.03034      27.03982 ?        ?        15.95332 7.373475 ?              ?        
1 1 1 11  41 23 o 21.26693 9.003257 19.08000       32.37203 0.000000       0.000000 19.08000       32.37203 ?        ?        21.26693 9.003257 ?              ?        
1 1 1 11  41 24 o 30.16289 9.072524 60.05098       28.95716 0.000000       0.000000 60.05098       28.95716 ?        ?        30.16289 9.072524 ?              ?        
1 1 1 11  41 25 o 20.21534 9.691270 -23.37000      55.06603 0.000000       0.000000 -23.37000      55.06603 ?        ?        20.21534 9.691270 ?              ?        
1 1 1 11  41 26 o 39.56356 8.330197 98.27644       31.23795 0.000000       0.000000 98.27644       31.23795 ?        ?        39.56356 8.330197 ?              ?        
1 1 1 11  41 27 o 18.99361 8.153370 12.50371       27.20812 0.000000       0.000000 12.50371       27.20812 ?        ?        18.99361 8.153370 ?              ?        
1 1 1 11  41 28 o 47.45590 7.025004 132.9248       31.64757 0.000000       0.000000 132.9248       31.64757 ?        ?        47.45590 7.025004 ?              ?        
1 1 1 11  42 0  o 19.71584 8.667803 8.058211       32.31077 0.000000       0.000000 8.058211       32.31077 ?        ?        19.71584 8.667803 ?              ?        
1 1 1 11  42 1  o 24.95151 7.332228 36.97393       19.08864 -15.68000      42.99334 49.90195       21.30354 19.16191 9.001430 28.89186 7.476267 -9.729958      11.70129 
1 1 1 11  42 2  o 27.40563 7.690801 45.38981       21.46753 47.23000       43.43483 44.79499       24.69458 26.90514 10.80438 26.81869 8.435675 0.8644676E-01  13.70749 
1 1 1 11  42 3  o 14.68511 6.599496 -3.439044      19.80236 3.012000       41.64224 -5.324124      22.51044 20.75423 9.424854 15.28625 6.936900 5.467974       11.70250 
1 1 1 11  42 4  o 15.97329 7.327737 -8.060253      26.01148 -31.75000      41.87642 6.821694       33.19091 17.61802 8.447481 19.71390 8.720947 -2.095881      12.14145 
1 1 1 11  42 5  o 39.19262 5.525350 83.67251       20.60931 65.84000       43.33958 88.88328       23.42769 30.20058 11.12827 39.91507 6.197230 -9.714497      12.73751 
1 1 1 11  42 6  f 32.40592 6.497328 59.76605       19.89131 84.11000       42.53716 52.95292       22.50330 34.00451 11.10966 29.63964 7.691061 4.364861       13.51211 
1 1 1 11  42 7  o 41.40942 5.347439 92.74169       21.16908 31.13000       42.40936 113.1872       24.43029 24.39321 10.31481 45.60137 5.590021 -21.20816      11.73217 
1 1 1 11  42 8  o 13.47325 6.180046 -7.948389      18.49349 13.71000       40.14357 -13.78327      20.83622 21.75656 9.609303 13.52042 6.324006 8.236137       11.50355 
1 1 1 11  42 9  o 35.17995 6.162330 69.36434       20.44714 72.40000       40.59827 68.33261       23.66813 31.69982 10.86158 34.04996 7.319259 -2.350138      13.09754 
1 1 1 11  42 10 o 14.96896 6.630992 -0.6427201     19.25311 13.27000       35.51538 -6.433025      22.91191 20.98238 9.159464 15.23503 6.946627 5.747352       11.49571 
1 1 1 11  42 11 o 19.53170 7.273255 19.87383       18.60168 28.25000       33.08051 16.00057       22.49507 23.06261 9.368742 19.19171 7.751265 3.870901       12.15958 
1 1 1 11  42 12 o 28.81762 8.268599 51.67057       24.53875 0.000000       0.000000 51.67057       24.53875 ?        ?        28.81762 8.268599 ?              ?        
1 1 1 11  42 13 o 29.42752 9.079099 56.17786       28.75506 60.02000       33.58208 45.62000       55.66841 29.76426 9.878286 26.91881 11.61009 2.845451       15.24384 
1 1 1 11  42 14 o 34.28452 6.584650 67.14442       21.29419 74.56000       33.78518 62.25698       27.42802 33.32098 9.744532 31.34668 8.654875 1.974298       13.03314 
1 1 1 11  42 15 o 15.58888 6.508879 6.672382       16.55596 -10.41000      27.30134 16.60796       20.82123 16.00296 7.400873 19.00262 7.530193 -2.999653      10.55825 
1 1 1 11  42 16 o 28.31771 6.496903 46.22205       17.62509 48.96000       29.30678 44.67068       22.06037 27.36850 9.230514 26.96777 7.870683 0.4007244      12.13054 
1 1 1 11  42 17 o 49.92638 4.182253 130.0490       20.25074 100.9000       34.71291 145.0872       24.93317 39.57550 9.144700 52.12532 4.945956 -12.54982      10.39654 
1 1 1 11  42 18 o 33.63688 5.281269 61.70667       16.81619 27.87000       27.14062 82.79055       21.42404 22.30649 8.669091 38.63065 5.848613 -16.32417      10.45751 
1 1 1 11  42 19 o 10.79490 5.069246 -11.32137      13.61518 -60.50000      22.83686 15.79873       16.95874 10.20415 5.128974 18.03941 6.893902 -7.835262      8.592570 
1 1 1 11  42 20 o 33.75483 6.215366 64.57619       19.77921 0.000000       0.000000 64.57619       19.77921 ?        ?        33.75483 6.215366 ?              ?        
1 1 1 11  42 21 o 17.79392 7.883222 3.979798       27.21839 0.000000       0.000000 3.979798       27.21839 ?        ?        17.79392 7.883222 ?              ?        
1 1 1 11  42 22 o 25.43804 9.630224 42.78000       32.90026 0.000000       0.000000 42.78000       32.90026 ?        ?        25.43804 9.630224 ?              ?        
1 1 1 11  42 23 o 25.42443 9.134462 42.72992       28.94376 0.000000       0.000000 42.72992       28.94376 ?        ?        25.42443 9.134462 ?              ?        
1 1 1 11  42 24 o 24.71109 11.11784 34.92000       56.37993 0.000000       0.000000 34.92000       56.37993 ?        ?        24.71109 11.11784 ?              ?        
1 1 1 11  42 25 o 26.60299 8.922155 47.93877       27.38336 0.000000       0.000000 47.93877       27.38336 ?        ?        26.60299 8.922155 ?              ?        
1 1 1 11  42 26 o 29.41405 9.228105 60.30760       29.57079 0.000000       0.000000 60.30760       29.57079 ?        ?        29.41405 9.228105 ?              ?        
1 1 1 11  43 0  o 60.41479 4.669781 192.5675       27.40085 0.000000       0.000000 192.5675       27.40085 ?        ?        60.41479 4.669781 ?              ?        
1 1 1 11  43 1  o 36.28841 6.676923 75.43966       22.84284 0.000000       0.000000 75.43966       22.84284 ?        ?        36.28841 6.676923 ?              ?        
1 1 1 11  43 2  o 16.50418 6.911649 7.915622       18.75208 -13.01000      40.52360 13.61742       21.15313 18.83059 8.811530 18.35713 7.478881 0.4734592      11.55754 
1 1 1 11  43 3  o 15.57804 6.835586 1.508703       20.00735 45.93000       41.36651 -12.05577      22.85887 26.48035 10.57444 14.42051 6.704478 12.05984       12.52073 
1 1 1 11  43 4  o 35.26979 6.188765 69.96705       20.58666 72.12000       43.66744 69.35179       23.34361 31.11872 11.21477 34.36713 7.171546 -3.248409      13.31173 
1 1 1 11  43 5  o 32.98696 6.578083 62.38978       20.49431 56.27000       44.53021 64.03440       23.08443 28.18319 11.06028 32.83027 7.365228 -4.647076      13.28821 
1 1 1 11  43 6  o 21.48300 7.766784 26.17213       20.96434 0.2853000      40.54657 35.61768       24.49222 20.14855 9.207623 24.15440 8.428536 -4.005856      12.48281 
1 1 1 11  43 7  o 52.46965 5.888618 151.6716       29.72191 178.7000       45.32801 131.2857       39.36597 53.37442 8.995659 45.40604 9.173398 7.968380       12.84808 
1 1 1 11  43 8  o 16.23864 6.972176 5.158419       19.90342 30.73000       36.27568 -5.855190      23.80684 23.66762 9.735351 15.55724 7.088702 8.110380       12.04271 
1 1 1 11  43 9  o 35.69016 6.707927 73.21997       22.57373 35.86000       40.40019 90.17847       27.21910 24.76484 10.23894 39.11114 7.380478 -14.34630      12.62170 
1 1 1 11  43 10 o 13.03341 6.028027 -9.603117      18.11742 -17.89000      36.22382 -6.838580      20.92232 17.41412 8.205844 14.47182 6.613712 2.942302       10.53931 
1 1 1 11  43 11 o 30.80049 8.561354 60.46642       26.73912 25.06000       39.15684 91.40327       36.60197 22.94036 9.812979 36.58383 9.957099 -13.64347      13.97993 
1 1 1 11  43 12 f 21.36905 8.080285 25.42881       23.14627 0.000000       0.000000 25.42881       23.14627 ?        ?        21.36905 8.080285 ?              ?        
1 1 1 11  43 13 o 28.14418 6.762451 46.40596       18.39659 25.65000       30.84213 57.86893       22.92037 22.14832 9.027979 30.85229 7.632267 -8.703960      11.82184 
1 1 1 11  43 14 o 22.79056 7.536781 30.98605       19.55349 37.50000       28.99360 25.55164       26.48234 24.48688 9.087645 21.68775 8.523900 2.799131       12.45962 
1 1 1 11  43 15 o 39.07059 5.083035 82.44061       18.97884 72.49000       30.78566 88.54070       24.10415 33.17473 9.173099 39.43468 6.468726 -6.259956      11.22453 
1 1 1 11  43 16 o 18.42318 6.860196 17.52195       16.54853 23.80000       27.15788 13.81420       20.87077 21.34405 8.552910 18.23144 7.428377 3.112610       11.32842 
1 1 1 11  43 17 o 19.71461 6.815654 21.89235       15.99748 -4.519000      25.10366 39.95174       20.75838 15.99503 7.284711 25.44540 7.687674 -9.450376      10.59091 
1 1 1 11  43 18 o 42.36100 4.399051 94.92999       17.97499 101.6000       30.40005 91.34454       22.28861 40.72891 7.910648 40.49198 5.787990 0.2369270      9.801999 
1 1 1 11  43 19 o 22.86441 8.756082 31.70658       27.39566 0.000000       0.000000 31.70658       27.39566 ?        ?        22.86441 8.756082 ?              ?        
1 1 1 11  43 20 o 31.67061 9.889323 71.74000       34.00134 0.000000       0.000000 71.74000       34.00134 ?        ?        31.67061 9.889323 ?              ?        
1 1 1 11  43 21 o 16.32577 7.431924 -2.839824      26.09066 0.000000       0.000000 -2.839824      26.09066 ?        ?        16.32577 7.431924 ?              ?        
1 1 1 11  43 22 o 22.27533 10.35182 12.97000       54.40187 0.000000       0.000000 12.97000       54.40187 ?        ?        22.27533 10.35182 ?              ?        
1 1 1 11  43 23 o 18.77480 8.088675 12.53776       26.96290 0.000000       0.000000 12.53776       26.96290 ?        ?        18.77480 8.088675 ?              ?        
1 1 1 11  44 0  o 16.71100 6.963788 9.064424       18.89676 -24.74000      41.64751 17.82797       21.20519 17.88265 8.533546 19.22893 7.605819 -1.346283      11.43109 
1 1 1 11  44 1  o 12.85868 6.088911 -17.10752      20.40116 0.000000       0.000000 -17.10752      20.40116 ?        ?        12.85868 6.088911 ?              ?        
1 1 1 11  44 2  o 28.87451 7.868901 51.64499       22.84240 0.000000       0.000000 51.64499       22.84240 ?        ?        28.87451 7.868901 ?              ?        
1 1 1 11  44 3  f 27.43147 7.295577 45.38168       19.92748 50.14000       42.49205 44.04012       22.56246 26.85894 10.72010 26.55943 8.012722 0.2995014      13.38373 
1 1 1 11  44 4  o 12.02524 5.761884 -20.98018      19.40818 -9.482000      38.04478 -25.02518      22.56526 18.50559 8.619122 12.76769 6.142343 5.737899       10.58384 
1 1 1 11  44 5  o 34.37623 6.327395 67.38144       20.50639 65.36000       40.11967 68.09631       23.85842 29.77648 10.74712 33.66742 7.438327 -3.890942      13.07017 
1 1 1 11  44 6  o 12.71357 5.938520 -11.93388      18.27079 -25.27000      36.60795 -7.509951      21.08456 16.74155 7.992214 14.37145 6.594545 2.370106       10.36164 
1 1 1 11  44 7  o 23.80791 7.753464 34.57658       20.72675 44.28000       38.30086 30.55812       24.64765 25.82809 10.22002 22.66673 8.385043 3.161358       13.21959 
1 1 1 11  44 8  o 26.91627 7.343782 43.83661       19.88193 29.66000       37.34030 49.44608       23.48833 23.34225 9.762690 28.06121 8.101509 -4.718960      12.68639 
1 1 1 11  44 9  o 18.68838 7.532651 15.56964       21.19656 -10.54000      35.76095 29.71090       26.31800 17.92477 8.351219 22.55337 8.595560 -4.628595      11.98443 
1 1 1 11  44 10 f 14.78967 6.930259 -14.43139      25.21377 22.04000       36.84384 -46.55693      34.57913 22.11215 9.489914 14.61893 7.161118 7.493220       11.88865 
1 1 1 11  44 11 o 17.83055 7.206441 13.53004       19.45877 -4.727000      35.65784 21.27267       23.22116 18.45598 8.507725 20.26264 7.976342 -1.806667      11.66205 
1 1 1 11  44 12 o 20.74071 7.252322 24.86667       18.13883 40.16000       29.59796 15.66821       22.95453 24.86535 9.190349 18.93608 7.761739 5.929266       12.02943 
1 1 1 11  44 13 o 12.49333 5.999616 -22.82331      21.30870 0.000000       0.000000 -22.82331      21.30870 ?        ?        12.49333 5.999616 ?              ?        
1 1 1 11  44 14 o 17.42971 7.066701 12.74871       18.77852 -9.569000      27.66108 31.82728       25.57510 15.96699 7.406909 22.82050 8.522283 -6.853505      11.29122 
1 1 1 11  44 15 f 29.36085 6.479672 50.42141       18.12245 48.35000       28.91344 51.76174       23.25794 26.69247 9.165541 28.53920 8.003722 -1.846722      12.16827 
1 1 1 11  44 16 o 14.74290 6.318582 4.276912       16.29204 -29.24000      25.44516 27.56442       21.20971 13.21369 6.397514 21.48803 7.805968 -8.274342      10.09264 
1 1 1 11  44 17 o 21.34328 6.994149 27.25184       16.85340 5.581000       27.23357 40.70229       21.45532 17.77326 7.879154 25.29324 7.849080 -7.519979      11.12156 
1 1 1 11  44 18 o 21.59546 8.817225 26.52000       29.47818 0.000000       0.000000 26.52000       29.47818 ?        ?        21.59546 8.817225 ?              ?        
1 1 1 11  44 19 o 18.40916 8.131628 8.321000       28.75328 0.000000       0.000000 8.321000       28.75328 ?        ?        18.40916 8.131628 ?              ?        
1 1 1 11  44 20 o 22.58897 10.42167 20.41000       53.66678 0.000000       0.000000 20.41000       53.66678 ?        ?        22.58897 10.42167 ?              ?        
1 1 1 11  45 0  o 41.14815 5.451575 93.25935       21.41758 42.96000       40.84894 112.3291       25.15199 25.34023 10.36671 44.81910 5.874557 -19.47888      11.91550 
1 1 1 11  45 1  o 22.79324 7.483017 31.53956       19.28801 48.71000       37.52102 25.37247       22.48662 26.35297 10.20641 21.08991 7.966644 5.263062       12.94752 
1 1 1 11  45 2  o 35.36947 6.228440 71.48794       20.77594 5.873000       37.53167 100.4771       24.94676 19.87555 8.994622 42.01682 6.256271 -22.14127      10.95647 
1 1 1 11  45 3  o 14.93942 6.795384 -4.563580      21.75811 0.000000       0.000000 -4.563580      21.75811 ?        ?        14.93942 6.795384 ?              ?        
1 1 1 11  45 4  f 28.06213 7.218709 47.82789       19.94089 53.60000       38.90105 45.77061       23.22423 27.16983 10.42662 26.76660 8.140838 0.4032288      13.22829 
1 1 1 11  45 5  o 23.98137 8.231799 36.29549       23.32183 64.79000       38.12014 19.25000       29.48347 29.44215 10.49389 20.53742 8.637774 8.904728       13.59165 
1 1 1 11  45 6  o 33.29685 6.957017 65.86404       21.94228 96.28000       39.08637 51.86763       26.51447 36.31467 10.44061 27.97267 8.732675 8.341997       13.61124 
1 1 1 11  45 7  o 12.71878 5.934762 -11.07862      18.17052 -2.467000      35.41771 -14.15495      21.16870 18.49066 8.507516 13.40566 6.303303 5.084998       10.58817 
1 1 1 11  45 8  o 24.10109 8.791083 37.51508       26.93954 51.79000       39.76277 25.40309       36.62667 26.65441 10.45411 22.23779 9.500990 4.416616       14.12647 
1 1 1 11  45 9  o 36.51439 6.045946 75.87690       20.85346 111.5000       39.72660 62.32769       24.50037 39.50685 10.20242 31.38230 7.963987 8.124552       12.94274 
1 1 1 11  45 10 o 40.86134 5.605401 93.09715       21.82920 126.3000       41.17112 80.11313       25.74599 42.33446 10.08084 36.16612 7.518356 6.168335       12.57573 
1 1 1 11  45 11 o 26.51324 7.374877 43.65187       19.83373 59.89000       36.34030 36.76292       23.66992 28.27093 10.22507 23.90329 8.289128 4.367634       13.16289 
1 1 1 11  45 12 f 18.82779 7.243245 18.82335       18.80552 33.71000       28.89933 7.890080       24.76647 23.03134 8.947022 17.57463 7.660738 5.456717       11.77863 
1 1 1 11  45 13 f 20.99110 9.678028 9.152000       46.17109 0.000000       0.000000 9.152000       46.17109 ?        ?        20.99110 9.678028 ?              ?        
1 1 1 11  45 14 o 24.37717 7.494773 37.50274       19.61572 33.20000       28.49975 41.37583       27.03946 22.78750 8.875749 24.71160 8.834723 -1.924103      12.52323 
1 1 1 11  45 15 o 18.34870 7.010138 17.86171       17.53224 67.72000       28.49956 -12.49495      22.23803 31.51917 8.867088 13.85596 6.497767 17.66320       10.99301 
1 1 1 11  45 16 o 24.05555 8.815257 39.23872       27.13512 63.13000       30.99239 -39.22000      56.16374 29.46244 9.471787 18.65221 9.134661 10.81023       13.15891 
1 1 1 11  46 0  o 16.07849 6.965569 5.718688       20.21550 40.24000       37.64192 -8.273610      23.96474 24.28718 9.945475 14.92686 6.913944 9.360317       12.11260 
1 1 1 11  46 1  o 27.56794 7.704929 48.39908       21.59305 26.71000       39.12495 57.89906       25.89373 22.29767 9.674975 29.44014 8.508229 -7.142473      12.88391 
1 1 1 11  46 2  o 17.69478 7.287503 13.39481       20.35977 15.67000       37.60705 12.45147       24.21543 20.68456 9.209156 18.21932 7.752847 2.465239       12.03807 
1 1 1 11  46 3  o 43.94808 5.555246 108.0212       23.36435 53.76000       39.21402 137.8854       29.09195 26.54266 10.39017 48.98158 6.207001 -22.43892      12.10299 
1 1 1 11  46 4  o 17.69401 7.689146 9.023452       24.78990 0.000000       0.000000 9.023452       24.78990 ?        ?        17.69401 7.689146 ?              ?        
1 1 1 11  46 5  o 13.68927 6.339300 -8.384286      20.13001 5.974000       36.59837 -14.61216      24.10352 19.31674 8.796859 14.16431 6.680363 5.152426       11.04590 
1 1 1 11  46 6  o 16.59175 7.336705 4.399391       23.46676 36.47000       38.66722 -14.30000      29.52589 23.54776 9.897223 15.66148 7.388676 7.886284       12.35101 
1 1 1 11  46 7  o 21.14902 8.771571 24.95456       29.77945 18.84000       37.75629 35.02000       48.44215 20.98252 9.290836 23.67364 10.50095 -2.691126      14.02104 
1 1 1 11  46 8  o 23.18070 7.848333 34.39128       21.18756 17.89000       36.90379 42.50501       25.87749 20.78279 9.194705 25.02720 8.667677 -4.244408      12.63611 
1 1 1 11  46 9  o 14.65190 6.608101 -1.814338      20.05599 -28.48000      35.70575 10.47694       24.24155 15.84615 7.649156 17.80419 7.670060 -1.958036      10.83233 
1 1 1 11  46 10 o 15.73241 7.007615 2.033225       21.80158 -4.790000      34.69602 6.485000       28.02537 17.69580 8.238293 17.81437 7.939413 -0.1185684     11.44132 
1 1 1 12  0  0  o 669.1725 17.65523 22067.58       1154.606 22067.58       1154.606 22067.58       1154.606 669.1725 17.65523 669.1725 17.65523 0.000000       0.000000 
1 1 1 12  0  1  o 186.6611 5.583407 1710.637       101.8072 1710.637       101.8072 1710.637       101.8072 186.6611 5.583407 186.6611 5.583407 0.000000       0.000000 
1 1 1 12  0  2  o 576.1437 15.24134 16339.29       858.1688 16339.29       858.1688 16339.29       858.1688 576.1437 15.24134 576.1437 15.24134 0.000000       0.000000 
1 1 1 12  0  3  o 195.5803 5.774570 1877.978       110.3298 1877.978       110.3298 1877.978       110.3298 195.5803 5.774570 195.5803 5.774570 0.000000       0.000000 
1 1 1 12  0  4  o 626.2588 16.54211 19320.55       1012.431 19320.55       1012.431 19320.55       1012.431 626.2588 16.54211 626.2588 16.54211 0.000000       0.000000 
1 1 1 12  0  5  o 383.2568 10.30544 7217.120       385.9688 7217.120       385.9688 7217.120       385.9688 383.2568 10.30544 383.2568 10.30544 0.000000       0.000000 
1 1 1 12  0  6  o 89.72037 4.030264 396.4555       35.23102 396.4555       35.23102 396.4555       35.23102 89.72037 4.030264 89.72037 4.030264 0.000000       0.000000 
1 1 1 12  0  7  o 110.0867 4.186586 595.8827       44.96458 595.8827       44.96458 595.8827       44.96458 110.0867 4.186586 110.0867 4.186586 0.000000       0.000000 
1 1 1 12  0  8  o 142.4201 4.696944 996.3588       65.31609 996.3588       65.31609 996.3588       65.31609 142.4201 4.696944 142.4201 4.696944 0.000000       0.000000 
1 1 1 12  0  9  o 60.26220 4.359447 180.5761       25.39920 180.5761       25.39920 180.5761       25.39920 60.26220 4.359447 60.26220 4.359447 0.000000       0.000000 
1 1 1 12  0  10 o 302.7574 8.317952 4503.229       246.0796 4503.229       246.0796 4503.229       246.0796 302.7574 8.317952 302.7574 8.317952 0.000000       0.000000 
1 1 1 12  0  11 o 166.3371 5.189969 1358.950       84.31425 1358.950       84.31425 1358.950       84.31425 166.3371 5.189969 166.3371 5.189969 0.000000       0.000000 
1 1 1 12  0  12 o 407.8285 10.95652 8183.527       436.6639 8183.527       436.6639 8183.527       436.6639 407.8285 10.95652 407.8285 10.95652 0.000000       0.000000 
1 1 1 12  0  13 o 8.299306 5.769380 -14.99795      16.57242 -14.99795      16.57242 -14.99795      16.57242 8.299306 5.769380 8.299306 5.769380 0.000000       0.000000 
1 1 1 12  0  14 o 41.79644 5.374369 89.71809       20.99069 89.71809       20.99069 89.71809       20.99069 41.79644 5.374369 41.79644 5.374369 0.000000       0.000000 
1 1 1 12  0  15 o 157.5123 5.031169 1219.017       77.38985 1219.017       77.38985 1219.017       77.38985 157.5123 5.031169 157.5123 5.031169 0.000000       0.000000 
1 1 1 12  0  16 o 151.7725 4.933626 1131.962       73.11790 1131.962       73.11790 1131.962       73.11790 151.7725 4.933626 151.7725 4.933626 0.000000       0.000000 
1 1 1 12  0  17 o 224.4664 6.484496 2476.252       142.2042 2476.252       142.2042 2476.252       142.2042 224.4664 6.484496 224.4664 6.484496 0.000000       0.000000 
1 1 1 12  0  18 o 161.1304 5.149249 1275.994       81.02536 1275.994       81.02536 1275.994       81.02536 161.1304 5.149249 161.1304 5.149249 0.000000       0.000000 
1 1 1 12  0  19 o 177.9868 5.496108 1557.039       95.54544 1557.039       95.54544 1557.039       95.54544 177.9868 5.496108 177.9868 5.496108 0.000000       0.000000 
1 1 1 12  0  20 o 284.7111 7.944677 3988.913       221.0149 3988.913       221.0149 3988.913       221.0149 284.7111 7.944677 284.7111 7.944677 0.000000       0.000000 
1 1 1 12  0  21 o 236.0122 6.812682 2739.621       157.0865 2739.621       157.0865 2739.621       157.0865 236.0122 6.812682 236.0122 6.812682 0.000000       0.000000 
1 1 1 12  0  22 o 225.7602 6.600189 2506.885       145.5690 2506.885       145.5690 2506.885       145.5690 225.7602 6.600189 225.7602 6.600189 0.000000       0.000000 
1 1 1 12  0  23 o 94.56395 4.591094 441.2775       42.26663 441.2775       42.26663 441.2775       42.26663 94.56395 4.591094 94.56395 4.591094 0.000000       0.000000 
1 1 1 12  0  24 o 80.42043 6.011734 322.5000       46.70081 322.5000       46.70081 322.5000       46.70081 80.42043 6.011734 80.42043 6.011734 0.000000       0.000000 
1 1 1 12  0  25 o 238.1369 10.02758 2809.000       232.7931 2809.000       232.7931 2809.000       232.7931 238.1369 10.02758 238.1369 10.02758 0.000000       0.000000 
1 1 1 12  0  26 o 240.0707 6.956112 2837.859       163.1495 2837.859       163.1495 2837.859       163.1495 240.0707 6.956112 240.0707 6.956112 0.000000       0.000000 
1 1 1 12  0  27 o 114.1771 4.585792 642.1827       51.06242 642.1827       51.06242 642.1827       51.06242 114.1771 4.585792 114.1771 4.585792 0.000000       0.000000 
1 1 1 12  0  28 o 232.1645 9.542895 2673.000       216.0266 2673.000       216.0266 2673.000       216.0266 232.1645 9.542895 232.1645 9.542895 0.000000       0.000000 
1 1 1 12  0  29 o 140.9141 6.776713 983.1000       92.97678 983.1000       92.97678 983.1000       92.97678 140.9141 6.776713 140.9141 6.776713 0.000000       0.000000 
1 1 1 12  0  30 o 46.48587 5.517986 110.5101       24.17703 110.5101       24.17703 110.5101       24.17703 46.48587 5.517986 46.48587 5.517986 0.000000       0.000000 
1 1 1 12  0  31 o 144.0991 7.181562 1031.000       100.7179 1031.000       100.7179 1031.000       100.7179 144.0991 7.181562 144.0991 7.181562 0.000000       0.000000 
1 1 1 12  0  32 o 94.36139 6.606842 445.2000       60.32364 445.2000       60.32364 445.2000       60.32364 94.36139 6.606842 94.36139 6.606842 0.000000       0.000000 
1 1 1 12  0  33 o 113.6056 4.523175 637.1097       50.11631 637.1097       50.11631 637.1097       50.11631 113.6056 4.523175 113.6056 4.523175 0.000000       0.000000 
1 1 1 12  0  34 o 55.42940 5.010166 154.8240       26.64688 154.8240       26.64688 154.8240       26.64688 55.42940 5.010166 55.42940 5.010166 0.000000       0.000000 
1 1 1 12  0  35 o 67.66978 4.696744 228.5474       30.75969 228.5474       30.75969 228.5474       30.75969 67.66978 4.696744 67.66978 4.696744 0.000000       0.000000 
1 1 1 12  0  36 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 12  0  37 o 24.96755 9.691299 42.53868       22.53231 42.53868       22.53231 42.53868       22.53231 24.96755 9.691299 24.96755 9.691299 0.000000       0.000000 
1 1 1 12  0  38 o 10.64184 7.084154 -5.541266      19.87733 -5.541266      19.87733 -5.541266      19.87733 10.64184 7.084154 10.64184 7.084154 0.000000       0.000000 
1 1 1 12  0  39 o 74.25513 4.616745 275.1568       33.25520 275.1568       33.25520 275.1568       33.25520 74.25513 4.616745 74.25513 4.616745 0.000000       0.000000 
1 1 1 12  0  40 o 95.35818 4.536221 451.7768       42.12150 451.7768       42.12150 451.7768       42.12150 95.35818 4.536221 95.35818 4.536221 0.000000       0.000000 
1 1 1 12  0  41 o 93.91151 4.661051 439.0103       42.60398 439.0103       42.60398 439.0103       42.60398 93.91151 4.661051 93.91151 4.661051 0.000000       0.000000 
1 1 1 12  0  42 o 56.93499 5.314563 164.9127       28.99092 164.9127       28.99092 164.9127       28.99092 56.93499 5.314563 56.93499 5.314563 0.000000       0.000000 
1 1 1 12  0  43 o 32.82343 9.035919 65.19650       25.10146 65.19650       25.10146 65.19650       25.10146 32.82343 9.035919 32.82343 9.035919 0.000000       0.000000 
1 1 1 12  0  44 o 29.27328 9.520630 55.28812       24.13599 55.28812       24.13599 55.28812       24.13599 29.27328 9.520630 29.27328 9.520630 0.000000       0.000000 
1 1 1 12  0  45 o 12.49383 8.052487 1.611849       22.77337 1.611849       22.77337 1.611849       22.77337 12.49383 8.052487 12.49383 8.052487 0.000000       0.000000 
1 1 1 12  0  46 o 108.4550 6.374004 599.2000       67.12582 599.2000       67.12582 599.2000       67.12582 108.4550 6.374004 108.4550 6.374004 0.000000       0.000000 
1 1 1 12  0  47 o 78.19250 6.184442 313.8000       46.63288 313.8000       46.63288 313.8000       46.63288 78.19250 6.184442 78.19250 6.184442 0.000000       0.000000 
1 1 1 12  0  48 o 91.96419 7.872615 443.8000       69.62462 443.8000       69.62462 443.8000       69.62462 91.96419 7.872615 91.96419 7.872615 0.000000       0.000000 
1 1 1 12  0  49 o 14.86837 10.11687 -16.70000      44.93839 -16.70000      44.93839 -16.70000      44.93839 14.86837 10.11687 14.86837 10.11687 0.000000       0.000000 
1 1 1 12  0  50 o 42.97481 6.801864 100.2784       26.46968 100.2784       26.46968 100.2784       26.46968 42.97481 6.801864 42.97481 6.801864 0.000000       0.000000 
1 1 1 12  0  51 o 24.58527 10.22751 44.78547       24.54945 44.78547       24.54945 44.78547       24.54945 24.58527 10.22751 24.58527 10.22751 0.000000       0.000000 
1 1 1 12  0  52 o 51.18005 6.138879 138.4286       29.58363 138.4286       29.58363 138.4286       29.58363 51.18005 6.138879 51.18005 6.138879 0.000000       0.000000 
1 1 1 12  0  53 o 47.22783 6.597103 119.9177       28.79411 119.9177       28.79411 119.9177       28.79411 47.22783 6.597103 47.22783 6.597103 0.000000       0.000000 
1 1 1 12  0  54 o 15.27314 9.069773 15.46753       23.60874 15.46753       23.60874 15.46753       23.60874 15.27314 9.069773 15.27314 9.069773 0.000000       0.000000 
1 1 1 12  0  55 o 9.253244 6.599322 -35.16000      26.54915 -35.16000      26.54915 -35.16000      26.54915 9.253244 6.599322 9.253244 6.599322 0.000000       0.000000 
1 1 1 12  0  56 o 57.75552 5.984446 174.9037       32.92602 174.9037       32.92602 174.9037       32.92602 57.75552 5.984446 57.75552 5.984446 0.000000       0.000000 
1 1 1 12  0  57 o 43.14195 7.992711 105.5005       30.34579 105.5005       30.34579 105.5005       30.34579 43.14195 7.992711 43.14195 7.992711 0.000000       0.000000 
1 1 1 12  0  58 o 16.45301 9.728610 19.35607       26.95292 19.35607       26.95292 19.35607       26.95292 16.45301 9.728610 16.45301 9.728610 0.000000       0.000000 
1 1 1 12  0  59 o 31.50631 11.77468 73.36000       33.83277 73.36000       33.83277 73.36000       33.83277 31.50631 11.77468 31.50631 11.77468 0.000000       0.000000 
1 1 1 12  1  0  o 600.8629 11.19046 17738.95       658.1573 17814.07       934.5430 17665.03       927.0522 600.7314 15.90725 598.2311 15.84570 2.500366       22.45277 
1 1 1 12  1  1  o 431.6281 8.131645 9136.901       343.5535 9234.618       490.0756 9042.478       481.7475 433.3178 11.56482 428.7969 11.48823 4.520935       16.30105 
1 1 1 12  1  2  f 289.8991 5.624301 4117.241       159.5959 4093.160       224.9124 4141.663       226.5013 288.7954 7.964009 290.5018 7.973089 -1.706421      11.26923 
1 1 1 12  1  3  o 150.9307 4.833107 1116.868       71.30992 1090.000       99.70807 1145.000       102.0268 148.9668 6.856474 152.6876 6.843995 -3.720779      9.687698 
1 1 1 12  1  4  o 595.7409 11.09621 17439.86       647.0506 17615.09       921.9949 17269.79       908.2944 597.2941 15.78392 591.4333 15.70359 5.860779       22.26511 
1 1 1 12  1  5  o 409.3873 7.726304 8218.960       309.6082 8130.788       434.6402 8309.788       441.1362 406.6325 10.92989 411.0796 10.97309 -4.447144      15.48778 
1 1 1 12  1  6  o 551.4570 10.29444 14938.34       555.6747 14820.00       781.8831 15059.11       789.8631 548.0623 14.58787 552.4594 14.61932 -4.397095      20.65261 
1 1 1 12  1  7  o 74.16183 2.875681 269.6623       20.83548 271.4951       29.86188 267.9236       29.08512 74.34361 4.119730 73.85686 4.038589 0.4867554      5.769088 
1 1 1 12  1  8  o 198.3574 4.118190 1926.904       79.95783 1970.400       114.7812 1885.899       111.4474 200.4307 5.856878 196.0853 5.812973 4.345352       8.251889 
1 1 1 12  1  9  o 598.6939 11.17048 17634.40       654.6107 17803.28       932.5689 17470.36       919.0967 599.7454 15.89978 594.1417 15.81800 5.603699       22.42793 
1 1 1 12  1  10 o 132.5126 3.200368 859.7922       41.51102 845.4140       58.63095 874.2438       58.78023 131.2889 4.569360 133.5154 4.504184 -2.226456      6.416130 
1 1 1 12  1  11 o 404.7306 7.662863 8040.072       303.5731 8081.627       431.1343 7999.211       427.5228 405.0390 10.88437 402.9756 10.84850 2.063416       15.36748 
1 1 1 12  1  12 o 218.2695 4.447571 2334.101       95.02156 2270.508       132.2681 2401.925       136.5981 215.0712 6.289749 221.2103 6.315063 -6.139130      8.912966 
1 1 1 12  1  13 o 262.8925 5.188978 3387.747       133.5261 3434.531       190.5678 3342.628       187.1476 264.3899 7.370931 260.8305 7.337557 3.559448       10.40050 
1 1 1 12  1  14 o 67.92922 2.948363 226.3840       19.55727 221.8529       27.76331 230.8472       27.55420 67.15566 4.245324 68.51804 4.127576 -1.362373      5.921119 
1 1 1 12  1  15 o 273.7142 5.379315 3674.071       144.1221 3736.745       205.9832 3613.963       201.7224 275.6516 7.641602 271.0870 7.609726 4.564545       10.78434 
1 1 1 12  1  16 o 164.6215 3.646793 1327.662       58.76299 1319.745       82.96406 1335.633       83.24350 163.9649 5.175796 164.9512 5.162064 -0.9863129     7.309978 
1 1 1 12  1  17 o 308.9005 5.991400 4683.521       181.1562 4696.621       256.7767 4670.540       255.6142 308.7641 8.504258 307.9085 8.489298 0.8555908      12.01626 
1 1 1 12  1  18 o 57.48460 3.153973 162.3501       17.67862 159.4434       24.95995 165.2762       25.04294 56.84881 4.522814 57.89258 4.453531 -1.043770      6.347424 
1 1 1 12  1  19 o 25.63527 5.542105 33.49969       13.50068 46.42466       18.79082 19.70901       19.40992 30.16011 6.552864 21.35277 7.499455 8.807344       9.959009 
1 1 1 12  1  20 o 206.0597 4.312790 2081.945       86.98767 2118.140       124.2711 2047.173       121.8042 207.5584 6.123488 204.0514 6.105276 3.506958       8.647052 
1 1 1 12  1  21 o 265.4557 5.283592 3458.985       137.2864 3527.281       196.5735 3393.952       191.8185 267.5555 7.513374 262.4552 7.474316 5.100250       10.59793 
1 1 1 12  1  22 o 143.1177 3.496926 1003.828       48.98758 1038.647       70.47556 971.2769       68.14120 145.3940 4.959319 140.5939 4.959268 4.800049       7.013500 
1 1 1 12  1  23 o 253.6589 5.883884 3161.943       146.0900 3130.970       178.3962 3225.000       254.5451 252.0475 7.238473 254.9304 10.22159 -2.882828      12.52503 
1 1 1 12  1  24 o 253.4142 5.945826 3156.953       147.4855 3137.000       256.7236 3166.783       180.1877 251.2388 10.46223 253.4281 7.271319 -2.189285      12.74089 
1 1 1 12  1  25 o 261.6077 5.264421 3362.148       134.8054 3295.393       188.7301 3431.681       192.6166 258.3994 7.469638 263.6928 7.470112 -5.293335      10.56400 
1 1 1 12  1  26 o 128.7061 4.811237 814.6370       60.50578 892.6000       85.35756 735.9000       85.78018 134.4727 6.504167 121.9433 7.218888 12.52933       9.716817 
1 1 1 12  1  27 o 190.5641 5.785933 1788.603       107.7996 1755.000       150.5067 1824.000       154.4742 188.1670 8.191205 191.8206 8.246504 -3.653671      11.62328 
1 1 1 12  1  28 o 97.31401 4.210523 465.8375       40.01186 470.9000       56.11067 460.6000       57.07221 97.60564 5.900617 96.50008 6.072936 1.105553       8.467458 
1 1 1 12  1  29 f 82.29089 4.121078 333.4105       33.08907 347.8000       46.94212 319.2000       46.64927 83.81934 5.756483 80.24496 5.982144 3.574387       8.301996 
1 1 1 12  1  30 o 151.5844 5.027054 1132.630       74.48576 1116.000       102.8135 1151.000       108.0598 149.9591 7.023915 152.2219 7.273427 -2.262756      10.11129 
1 1 1 12  1  31 o 80.66331 3.649287 320.2692       28.73850 351.7685       34.92363 254.2000       50.57878 84.46346 4.237736 71.17030 7.366833 13.29315       8.498743 
1 1 1 12  1  32 o 128.1662 3.844851 808.5688       48.18015 818.2000       85.35544 804.0652       58.36784 128.1439 6.829650 127.6328 4.679948 0.5111084      8.279253 
1 1 1 12  1  33 o 77.24157 3.688187 294.1843       27.80441 321.1000       51.87048 283.3324       32.93598 80.05044 6.680740 75.66797 4.466718 4.382469       8.036408 
1 1 1 12  1  34 o 51.69881 3.615370 132.1993       18.17999 125.1674       25.38293 139.6061       26.05086 49.99873 5.265484 52.86815 5.097219 -2.869419      7.328503 
1 1 1 12  1  35 o 82.57445 3.121714 335.8182       25.18617 328.9156       35.41511 342.8817       35.82570 81.45408 4.458914 83.18039 4.415974 -1.726311      6.275567 
1 1 1 12  1  36 o 53.43932 3.572237 141.4230       18.57831 138.5557       26.48783 144.1994       26.06467 52.54416 5.219013 53.66187 5.020554 -1.117714      7.241827 
1 1 1 12  1  37 o 75.43316 3.259917 280.9039       24.01313 279.2381       34.06110 282.5500       33.85918 74.87096 4.670979 75.33115 4.614069 -0.4601898     6.565644 
1 1 1 12  1  38 o 48.79667 3.874066 118.4950       18.35213 125.7663       26.03985 111.3191       25.86866 49.89956 5.418197 46.81408 5.767121 3.085484       7.913062 
1 1 1 12  1  39 o 16.18765 6.301212 8.562915       14.35711 9.343293       20.52083 7.814667       20.09395 18.52381 7.430622 18.02301 7.309008 0.5007992      10.42285 
1 1 1 12  1  40 o 26.23888 6.143615 36.07032       15.49919 31.59886       22.08205 40.41224       21.75983 24.91216 7.993769 27.63876 7.738228 -2.726606      11.12567 
1 1 1 12  1  41 o 20.70109 6.720489 21.34242       15.57853 10.62177       21.76661 32.60100       22.30602 19.14355 7.661835 25.17435 8.029658 -6.030802      11.09861 
1 1 1 12  1  42 o 31.33625 5.861323 51.17068       17.31758 56.23785       24.34733 45.98232       24.63674 32.31968 7.788536 29.21758 8.252927 3.102106       11.34778 
1 1 1 12  1  43 o 101.4141 3.274694 510.0537       32.46427 528.0880       46.25264 492.5420       45.57763 102.5316 4.620508 98.95930 4.718914 3.572342       6.604335 
1 1 1 12  1  44 o 13.98134 6.083004 -1.397661      15.55375 -23.10500      21.68147 21.61802       22.32530 13.25852 6.277896 21.76798 7.992785 -8.509460      10.16349 
1 1 1 12  1  45 o 25.84400 6.931298 36.12667       17.89372 51.97863       23.67580 15.01000       27.32599 30.70608 7.848443 21.24813 8.556818 9.457956       11.61108 
1 1 1 12  1  46 o 44.47484 4.813904 101.2670       20.62280 100.7671       26.74555 102.0000       32.38783 43.62688 6.457924 43.09215 7.972075 0.5347290      10.25957 
1 1 1 12  1  47 f 44.19615 6.428930 103.6325       26.99700 125.8000       32.42487 53.54000       48.74231 48.40900 7.049944 31.09971 11.73328 17.30930       13.68837 
1 1 1 12  1  48 o 85.91221 4.836153 376.5077       40.50458 404.8000       52.29876 334.1000       64.02946 88.04809 6.106103 77.66373 8.564848 10.38435       10.51861 
1 1 1 12  1  49 o 28.46284 7.536242 45.22585       21.32381 56.09000       46.42942 42.32166       24.00533 31.07828 11.50625 27.42183 8.263217 3.656448       14.16597 
1 1 1 12  1  50 o 26.75617 7.787479 40.17543       21.62279 -15.58000      48.77374 53.81417       24.12290 21.64839 9.968791 30.81160 7.946733 -9.163210      12.74862 
1 1 1 12  1  51 o 25.04648 6.951684 34.87783       17.64385 23.48008       25.63720 45.13387       24.31928 22.25543 8.483260 28.00930 8.287994 -5.753876      11.85987 
1 1 1 12  1  52 o 48.42491 4.452052 120.5139       20.86656 113.1004       29.58444 127.8531       29.43567 45.47731 6.859166 48.76791 6.314519 -3.290596      9.323160 
1 1 1 12  1  53 o 30.90051 6.274984 52.11737       18.33081 71.25067       26.74555 35.16758       25.17321 35.29763 7.934555 25.08898 8.553907 10.20864       11.66733 
1 1 1 12  1  54 o 50.45296 4.614391 131.3694       22.53602 161.2000       36.59539 113.1460       28.60299 54.16827 7.070612 45.60116 6.599779 8.567104       9.672158 
1 1 1 12  1  55 o 75.18004 3.656418 285.5899       26.82626 301.0240       38.17022 270.5258       37.71009 76.02650 5.159818 71.85098 5.401444 4.175514       7.469894 
1 1 1 12  1  56 o 38.49776 6.867238 82.14167       24.92829 75.59790       28.16560 105.8000       53.55463 36.04593 8.171963 38.78645 12.44919 -2.740517      14.89172 
1 1 1 12  1  57 o 20.81921 7.348577 22.60653       18.65376 6.223475       26.36570 39.02617       26.39511 18.69638 8.025973 25.95613 8.759991 -7.259750      11.88081 
1 1 1 12  1  58 o 56.59768 4.601298 166.0746       25.27120 162.3229       32.99319 171.4000       39.30825 54.67572 6.278673 55.11660 7.478878 -0.4408836     9.765007 
1 1 1 12  1  59 o 41.28582 7.785946 99.03949       30.31080 90.34000       36.46168 118.5000       54.53393 37.59477 9.807282 39.90225 12.53370 -2.307484      15.91466 
1 1 1 12  2  0  o 365.4260 6.948673 6545.450       248.5464 6570.519       353.1244 6520.837       349.8933 365.7083 9.873797 364.3296 9.820445 1.378784       13.92598 
1 1 1 12  2  1  f 577.4316 10.77237 16378.72       608.8610 16562.31       869.7704 16202.31       852.6051 579.3617 15.35082 573.0679 15.21318 6.293823       21.61223 
1 1 1 12  2  2  f 481.3739 10.42601 11380.38       491.2549 10590.00       808.5683 11842.84       618.4966 462.4574 17.89613 490.4386 12.89506 -27.98117      22.05797 
1 1 1 12  2  3  o 251.6043 7.072457 3105.712       174.0057 2781.000       228.9257 3550.000       267.7794 237.7972 9.856532 268.6775 10.20068 -30.88025      14.18468 
1 1 1 12  2  4  o 281.3514 5.480520 3878.001       150.9305 3840.787       212.1555 3916.136       214.7644 279.7516 7.755230 282.4825 7.774596 -2.730896      10.98125 
1 1 1 12  2  5  o 164.4419 3.600760 1324.017       57.95791 1364.100       83.61473 1286.948       80.40896 166.7959 5.127519 162.0088 5.076869 4.787094       7.215680 
1 1 1 12  2  6  o 319.1263 6.134724 4990.917       191.6302 4993.861       271.3744 4987.988       270.6390 318.8878 8.702237 318.7024 8.683680 0.1853638      12.29371 
1 1 1 12  2  7  o 182.4590 3.864291 1630.230       69.01464 1628.017       97.81648 1632.424       97.38781 182.2009 5.490996 182.4497 5.459390 -0.2487488     7.743124 
1 1 1 12  2  8  o 118.4742 3.034134 687.6501       35.15663 714.6404       51.06845 663.3355       48.47113 120.7161 4.328974 116.3001 4.265139 4.416016       6.077123 
1 1 1 12  2  9  o 426.5840 8.042249 8930.811       335.8059 8788.492       469.8007 9079.481       480.1716 422.4363 11.37212 429.3629 11.43543 -6.926575      16.12744 
1 1 1 12  2  10 o 320.1618 6.161334 5025.504       193.0858 4877.004       267.7297 5186.459       278.7318 315.0035 8.691408 324.8379 8.774280 -9.834320      12.35025 
1 1 1 12  2  11 o 431.0284 8.129654 9122.676       342.9921 8905.972       477.1117 9354.454       493.4279 425.0310 11.47866 435.5799 11.58338 -10.54889      16.30749 
1 1 1 12  2  12 o 151.6907 3.461244 1126.875       51.39222 1110.185       72.52735 1143.706       72.83277 150.4325 4.932209 152.6929 4.879325 -2.260376      6.937902 
1 1 1 12  2  13 o 370.8662 7.063422 6751.341       256.4122 6802.843       364.5814 6700.931       360.6931 371.5897 10.03280 368.8016 10.00092 2.788086       14.16600 
1 1 1 12  2  14 o 258.0200 5.110329 3263.752       129.0650 3292.681       183.8985 3235.671       181.1827 258.8369 7.265669 256.5912 7.221058 2.245728       10.24371 
1 1 1 12  2  15 o 89.89825 2.882370 396.1686       25.33061 419.5059       36.87454 375.3160       34.85637 92.43827 4.085477 87.42425 4.084569 5.014023       5.777095 
1 1 1 12  2  16 o 169.7212 3.723273 1411.271       61.85389 1459.050       89.54008 1367.661       85.54579 172.3940 5.312609 166.9093 5.242650 5.484695       7.463860 
1 1 1 12  2  17 o 77.84814 2.897406 297.2146       22.03969 306.5907       31.60295 288.3366       30.75211 78.98803 4.101572 76.59280 4.116989 2.395233       5.811410 
1 1 1 12  2  18 o 96.49121 2.975074 456.4550       28.06548 482.6085       40.56817 432.4483       38.86760 99.13843 4.190034 93.83127 4.242863 5.307159       5.963076 
1 1 1 12  2  19 o 42.21796 3.841603 88.07288       15.70140 90.57084       21.86931 85.41539       22.55691 42.62826 5.359379 41.32212 5.730940 1.306137       7.846440 
1 1 1 12  2  20 o 151.6926 3.543284 1127.598       52.61100 1134.538       74.64610 1120.748       74.16264 151.9793 5.024745 151.0520 5.022926 0.9272156      7.104777 
1 1 1 12  2  21 o 350.7720 6.752756 6051.226       231.8527 6259.496       335.4293 5860.684       320.8358 355.7334 9.642082 344.2481 9.530665 11.48532       13.55741 
1 1 1 12  2  22 o 59.97254 3.647313 176.9413       21.30951 177.4896       29.93112 176.3777       30.34555 59.91186 5.153965 59.71154 5.245195 0.2003174      7.353600 
1 1 1 12  2  23 o 165.7022 3.795723 1346.103       61.56432 1461.717       91.09779 1248.913       83.52453 172.4361 5.403932 159.3831 5.361473 13.05298       7.612350 
1 1 1 12  2  24 o 137.6362 3.482965 929.1528       46.88554 954.7502       67.19725 904.8694       65.44962 139.3693 4.933598 135.6748 4.936583 3.694504       6.979272 
1 1 1 12  2  25 f 241.9824 5.666904 2878.466       134.2258 2708.000       221.5527 2977.318       168.7132 233.5194 9.713980 245.7148 7.021942 -12.19540      11.98620 
1 1 1 12  2  26 o 160.9305 4.259758 1271.834       67.04208 1206.000       110.8296 1309.825       84.19276 156.1964 7.268942 163.1709 5.278344 -6.974472      8.983231 
1 1 1 12  2  27 o 83.42297 3.642499 341.9951       29.67176 335.0000       48.77818 346.1038       37.38375 82.25961 6.101490 83.82585 4.573482 -1.566238      7.625282 
1 1 1 12  2  28 o 90.11842 3.648803 399.0943       32.11969 436.6000       55.87647 380.5851       39.25315 93.93261 6.110404 87.89582 4.578253 6.036789       7.635275 
1 1 1 12  2  29 o 65.74483 3.709882 212.8228       23.77728 208.6658       28.02631 223.5000       44.91625 65.01352 4.430563 66.88829 6.962130 -1.874771      8.252342 
1 1 1 12  2  30 o 137.0269 4.811670 925.2595       64.43669 1022.000       92.72210 834.9000       89.61195 143.5931 6.614723 129.6303 7.089402 13.96284       9.696092 
1 1 1 12  2  31 o 70.96704 3.536510 247.9608       24.48879 256.1000       40.31021 243.1997       30.83014 71.77368 5.786793 70.14872 4.513993 1.624962       7.339149 
1 1 1 12  2  32 o 17.22321 6.275742 12.02965       13.72372 16.39262       18.86022 7.119966       20.00704 20.10233 7.352026 18.04235 7.301779 2.059980       10.36187 
1 1 1 12  2  33 o 42.31130 4.963932 89.63224       20.16787 100.6000       39.06870 85.64780       23.54798 43.81094 9.392547 41.12684 6.028466 2.684101       11.16075 
1 1 1 12  2  34 o 119.6294 3.811032 705.6862       44.56894 754.5000       81.40446 684.7903       53.26080 122.7147 6.803754 117.6323 4.634745 5.082458       8.232371 
1 1 1 12  2  35 o 72.88904 3.185900 261.8530       22.67516 275.4937       32.14282 248.3393       31.99275 74.52822 4.426061 70.69730 4.648998 3.830917       6.418972 
1 1 1 12  2  36 o 68.23948 3.207831 229.7883       21.36663 232.7195       30.16214 226.8357       30.27213 68.39758 4.530747 67.50467 4.609100 0.8929138      6.463086 
1 1 1 12  2  37 o 69.84767 3.236627 240.8995       22.06828 243.7918       31.01911 237.9352       31.40296 69.96644 4.554070 69.08640 4.671247 0.8800430      6.523810 
1 1 1 12  2  38 o 14.27939 5.998532 1.857157       14.19219 21.71758       20.18242 -17.56987      19.96099 21.75002 7.646574 13.38371 6.236786 8.366314       9.867502 
1 1 1 12  2  39 o 68.77161 3.313497 233.9774       22.23935 243.4738       31.50232 224.5424       31.40032 69.80350 4.636905 66.96624 4.822702 2.837265       6.690243 
1 1 1 12  2  40 o 93.37989 3.200749 430.8863       29.21250 428.5954       40.87691 433.2776       41.76277 92.69221 4.518969 93.16910 4.593590 -0.4768906     6.443768 
1 1 1 12  2  41 o 16.28427 6.459687 7.807828       15.33701 -3.058320      21.31053 19.48350       22.09009 16.17398 7.077008 21.41622 7.935228 -5.242235      10.63259 
1 1 1 12  2  42 o 95.09357 3.248368 447.8224       30.19148 488.2236       43.49003 410.2386       41.94622 98.76434 4.510569 90.40292 4.757023 8.361427       6.555493 
1 1 1 12  2  43 o 43.05166 4.474696 93.72943       18.58167 107.6465       26.52547 80.31900       26.03820 45.57964 6.098348 38.88119 7.103389 6.698448       9.362050 
1 1 1 12  2  44 o 44.97306 4.682839 102.8341       20.31270 97.00108       25.98423 112.0000       32.57250 43.00138 6.365363 45.68674 7.547024 -2.685360      9.872964 
1 1 1 12  2  45 o 45.74178 4.625820 106.4797       20.42699 119.9056       26.53232 86.94000       32.00841 48.08756 5.750730 39.54377 8.521081 8.543793       10.28006 
1 1 1 12  2  46 o 40.58476 5.972706 86.51441       23.01798 92.26775       26.27054 67.50000       47.75850 41.60012 6.677482 33.77994 11.77079 7.820179       13.53293 
1 1 1 12  2  47 o 75.29939 4.126636 285.9245       30.29915 284.3807       35.34859 290.2000       58.82623 74.67137 4.862734 72.61958 8.432425 2.051788       9.734063 
1 1 1 12  2  48 o 61.96268 4.041167 193.8433       24.37626 201.8000       38.69551 188.6084       31.38701 61.77751 6.496273 60.42259 5.362580 1.354923       8.423707 
1 1 1 12  2  49 o 49.01161 4.517610 122.7920       21.42903 125.6000       33.02464 120.7499       28.16308 48.05396 7.246141 47.74913 6.169793 0.3048325      9.516980 
1 1 1 12  2  50 o 37.85598 5.238759 74.92661       18.89224 90.97948       27.67824 60.92371       25.85063 40.71776 7.208372 32.71462 8.112803 8.003136       10.85257 
1 1 1 12  2  51 o 27.83270 7.892743 44.20433       22.48815 6.983000       49.58060 53.84494       25.23295 23.87173 10.60427 30.52389 8.250341 -6.652161      13.43573 
1 1 1 12  2  52 o 56.31652 3.946022 161.1246       21.61446 151.7860       29.98937 171.2197       31.18034 53.52824 5.817155 56.98875 5.664574 -3.460510      8.119526 
1 1 1 12  2  53 o 25.43060 6.919358 36.10421       17.67866 37.87792       25.09880 34.35777       24.90514 25.82604 8.538797 24.85389 8.507400 0.9721470      12.05350 
1 1 1 12  2  54 o 43.61085 4.656370 98.49277       19.56972 91.16612       28.28985 105.2161       27.10002 40.31200 7.443667 44.01975 6.483459 -3.707752      9.871344 
1 1 1 12  2  55 o 24.08644 7.110265 32.50744       17.91628 33.35088       26.11558 31.75753       24.62496 24.55694 8.692523 24.04031 8.446767 0.5166359      12.12055 
1 1 1 12  2  56 o 17.31664 6.946107 10.55740       17.93123 9.986781       25.74133 11.09530       24.99243 19.23652 8.079621 19.26835 8.017354 -0.3182983E-01 11.38237 
1 1 1 12  2  57 o 22.28400 7.643602 26.98576       20.10702 32.30618       26.77081 20.10000       30.45544 24.24512 8.775151 22.08099 8.982160 2.164139       12.55717 
1 1 1 12  2  58 o 41.59709 6.657948 95.72167       26.19487 128.4364       30.17640 -4.294000      52.76302 48.37373 6.540528 22.62116 10.39914 25.75257       12.28498 
1 1 1 12  2  59 o 53.95106 4.790194 152.3896       25.03375 185.2000       41.17688 133.1521       31.52983 56.91828 7.579061 48.88120 6.771462 8.037079       10.16341 
1 1 1 12  3  0  o 321.1555 6.177925 5054.090       194.2067 5102.071       277.4485 5007.997       271.9340 322.3526 8.801397 319.3758 8.706842 2.976807       12.38038 
1 1 1 12  3  1  o 419.2018 7.924990 8618.039       325.1832 8869.171       471.5862 8390.385       449.0015 424.6605 11.35541 413.0735 11.11499 11.58704       15.88988 
1 1 1 12  3  2  o 510.8178 9.551687 12808.77       477.5869 13031.90       683.8937 12596.38       667.2340 514.2838 13.59755 505.6372 13.49340 8.646515       19.15634 
1 1 1 12  3  3  o 451.4143 8.478317 9996.909       374.6202 10013.96       530.5701 9979.952       529.0192 451.0962 12.02694 450.3320 12.01214 0.7641907      16.99820 
1 1 1 12  3  4  o 333.5832 6.388858 5453.660       208.6093 5616.944       301.2096 5303.145       289.1933 338.1764 9.107829 328.6011 8.999576 9.575287       12.80410 
1 1 1 12  3  5  o 163.3432 3.586299 1306.394       57.33947 1333.370       82.41205 1281.082       79.83009 164.9036 5.111862 161.6384 5.051837 3.265244       7.186946 
1 1 1 12  3  6  o 192.0961 4.015474 1807.048       75.50255 1765.369       105.7421 1850.399       107.8424 189.7258 5.700436 194.2468 5.678004 -4.520996      8.045788 
1 1 1 12  3  7  o 452.0831 8.497258 10030.52       376.0134 9734.535       520.8388 10352.72       543.4052 444.5937 11.97925 458.4696 12.11959 -13.87589      17.04075 
1 1 1 12  3  8  o 514.1342 9.628976 12986.51       484.5770 13116.76       691.2589 12860.66       679.4836 515.5168 13.71126 510.4873 13.61055 5.029572       19.31956 
1 1 1 12  3  9  o 687.7054 12.81665 23315.68       862.7462 23188.91       1217.048 23443.73       1223.190 683.0737 18.21889 686.8239 18.21066 -3.750122      25.75958 
1 1 1 12  3  10 o 285.4790 5.564028 3994.540       155.4782 3849.064       214.8595 4154.454       225.2685 279.9186 7.849565 290.8098 7.921180 -10.89117      11.15172 
1 1 1 12  3  11 f 354.6529 6.770728 6170.339       235.0418 6123.949       331.0410 6217.498       333.7744 352.7691 9.595963 355.4541 9.601988 -2.684967      13.57500 
1 1 1 12  3  12 o 321.7317 6.195976 5076.819       195.1236 5018.256       274.1212 5136.968       277.8087 319.4091 8.776085 323.1651 8.790604 -3.756012      12.42153 
1 1 1 12  3  13 o 320.3653 6.176829 5034.708       193.6945 5033.154       274.1889 5036.257       273.6626 319.8220 8.766882 319.9245 8.747210 -0.1025391     12.38434 
1 1 1 12  3  14 f 95.22256 2.905859 444.4303       27.05279 465.7411       39.55234 425.6967       37.08371 97.40710 4.157915 93.12303 4.078254 4.284065       5.824123 
1 1 1 12  3  15 o 115.2003 3.057607 650.4039       34.44747 673.2089       49.86333 629.5833       47.64453 117.1221 4.357065 113.2620 4.305405 3.860069       6.125400 
1 1 1 12  3  16 o 188.9588 4.011654 1749.676       74.19881 1781.589       106.3025 1719.357       103.6150 190.4666 5.708325 187.1125 5.663878 3.354126       8.041424 
1 1 1 12  3  17 o 446.0517 8.434902 9795.042       368.2743 10169.92       534.4622 9456.138       508.1691 452.9628 12.06522 436.8439 11.89543 16.11893       16.94316 
1 1 1 12  3  18 o 239.0772 4.824726 2803.178       112.9060 2911.164       163.6968 2705.194       155.9324 243.2829 6.881116 234.5255 6.799842 8.757370       9.674069 
1 1 1 12  3  19 o 133.3556 3.314264 871.2816       43.26180 896.3450       62.35273 848.0168       60.07375 135.1046 4.722234 131.4116 4.677763 3.693008       6.646876 
1 1 1 12  3  20 o 181.4394 4.551614 1615.594       80.77188 1642.107       100.4181 1567.000       135.9458 182.7924 5.619061 178.2108 7.812356 4.581543       9.623240 
1 1 1 12  3  21 o 102.8207 3.754110 518.8921       37.71933 517.6000       71.28394 519.3945       44.45238 102.3082 7.163545 102.8133 4.427501 -0.5050583     8.421350 
1 1 1 12  3  22 o 194.1546 4.167045 1848.566       79.19213 1823.512       111.3533 1874.205       112.6471 192.5508 5.915164 195.2134 5.902054 -2.662659      8.356040 
1 1 1 12  3  23 o 188.4727 4.103188 1742.016       75.69654 1762.295       108.0466 1722.469       106.0826 189.2816 5.838699 187.1351 5.798384 2.146515       8.228710 
1 1 1 12  3  24 o 94.94955 3.560919 442.5649       33.03627 443.0000       52.81835 442.2854       42.34069 94.77050 5.720477 94.82632 4.575158 -0.5581665E-01 7.325021 
1 1 1 12  3  25 o 122.3206 3.774194 734.4299       45.13465 820.4000       78.17327 691.4412       55.27922 128.9771 6.210370 118.5772 4.772466 10.39996       7.832313 
1 1 1 12  3  26 o 234.6064 4.802977 2703.112       110.2952 2645.000       214.2746 2724.059       128.6469 230.7188 9.508531 235.3702 5.583951 -4.651428      11.02691 
1 1 1 12  3  27 o 180.3536 3.950701 1596.129       69.74373 1522.000       132.4988 1624.539       82.02692 175.2979 7.741077 181.8071 4.613073 -6.509140      9.011367 
1 1 1 12  3  28 o 47.93081 5.022274 114.1888       23.21305 79.48000       27.70294 196.0000       42.53172 39.46476 7.444401 62.60475 7.063835 -23.13999      10.26240 
1 1 1 12  3  29 o 103.3161 3.566856 524.4537       36.01703 496.7964       42.31334 597.2000       68.62418 100.4599 4.313117 109.7993 6.413071 -9.339401      7.728548 
1 1 1 12  3  30 o 68.01979 3.116596 227.4595       20.69505 229.8180       28.52695 224.8393       30.06829 68.23561 4.292837 67.44962 4.581507 0.7859955      6.278428 
1 1 1 12  3  31 o 117.1407 3.647802 674.7928       41.77493 644.6000       68.74677 692.4684       52.60039 113.9753 6.185371 118.5118 4.542828 -4.536430      7.674379 
1 1 1 12  3  32 o 173.2757 4.451112 1480.292       75.43149 1540.000       131.4338 1450.966       92.11132 175.4829 7.670367 171.2180 5.503283 4.264938       9.440373 
1 1 1 12  3  33 o 66.30453 3.293833 216.6123       21.31028 248.5742       30.09434 184.4673       30.18043 70.86957 4.359389 60.87098 5.112543 9.998592       6.718807 
1 1 1 12  3  34 o 58.50271 4.080019 169.5808       23.21742 225.6000       45.73875 150.1363       26.94727 66.77652 7.106728 54.83778 5.077955 11.93874       8.734484 
1 1 1 12  3  35 o 84.86501 3.677617 355.6101       30.47679 343.0000       54.80363 361.2559       36.67001 82.45181 6.852393 85.37551 4.402922 -2.923698      8.144999 
1 1 1 12  3  36 o 23.57328 6.398575 28.78818       15.13912 29.32853       20.73057 28.17069       22.16081 24.22291 7.742497 24.06843 8.025570 0.1544762      11.15150 
1 1 1 12  3  37 o 66.27680 3.297807 217.0424       21.32685 213.0473       29.66853 221.3141       30.67824 65.35161 4.668784 66.59515 4.737251 -1.243546      6.651247 
1 1 1 12  3  38 o 54.99794 3.640545 150.0908       19.48803 169.9758       27.27436 129.3496       27.85529 58.25377 4.826549 50.51128 5.735372 7.742489       7.496003 
1 1 1 12  3  39 o 52.21972 3.775937 135.6342       19.17001 100.4883       26.10763 176.7515       28.23857 44.26086 6.195648 59.34558 4.905015 -15.08472      7.902229 
1 1 1 12  3  40 o 93.76211 3.204687 434.4742       29.36841 432.5367       40.87178 436.5423       42.22781 93.11681 4.497544 93.49590 4.628626 -0.3790817     6.453842 
1 1 1 12  3  41 o 41.58915 4.489627 87.16096       17.98734 80.51046       24.29783 95.22471       26.75523 39.32757 6.541664 42.82488 6.594002 -3.497307      9.288391 
1 1 1 12  3  42 o 40.08320 4.716134 81.46104       18.14986 73.54493       24.93692 90.37833       26.46691 37.27052 7.094595 41.55297 6.737764 -4.282452      9.784209 
1 1 1 12  3  43 o 68.44150 3.780255 233.7682       25.22648 255.8036       32.35395 199.6000       40.28828 71.25117 4.664702 61.91800 6.756988 9.333168       8.210745 
1 1 1 12  3  44 o 28.30566 6.368227 42.79652       17.21587 65.15170       23.83920 18.43002       24.88852 34.73914 7.245648 21.49294 8.315711 13.24620       11.02953 
1 1 1 12  3  45 o 12.38409 5.876559 -21.26578      19.19736 -17.89136      21.11989 -37.31000      46.05230 13.63101 6.372854 19.55437 9.225972 -5.923361      11.21302 
1 1 1 12  3  46 o 39.11917 6.182641 80.89152       22.88816 87.12483       25.92070 58.83000       48.76465 40.32755 6.808747 32.16909 11.81263 8.158455       13.63441 
1 1 1 12  3  47 o 46.77831 4.274935 111.0890       19.35791 109.0279       26.80323 113.3363       27.98759 45.47742 6.181068 46.29529 6.342808 -0.8178673     8.856456 
1 1 1 12  3  48 o 53.45393 3.955369 144.2914       20.54874 132.9505       27.91013 157.7154       30.36550 50.44332 5.755513 55.00352 5.723678 -4.560200      8.117044 
1 1 1 12  3  49 o 43.06781 4.935697 95.84721       20.43143 65.98000       30.15999 121.1790       27.77584 33.70295 8.980677 47.88427 6.061700 -14.18132      10.83498 
1 1 1 12  3  50 o 33.41635 6.007755 59.83260       18.92833 35.36000       27.79756 80.98994       25.84622 25.51112 8.973536 38.38750 7.141376 -12.87638      11.46837 
1 1 1 12  3  51 o 17.37150 6.809351 11.49954       16.86176 11.46372       23.52002 11.53742       24.18618 19.13895 7.852152 19.32112 7.948566 -0.1821728     11.17300 
1 1 1 12  3  52 o 21.46150 7.916045 22.86609       21.93968 19.23000       47.10663 23.87330       24.79286 24.80884 10.68988 22.14006 8.364789 2.668779       13.57362 
1 1 1 12  3  53 o 36.30328 6.823315 72.65161       23.35650 60.25000       50.18829 76.08002       26.38818 31.13769 11.86930 36.70190 7.595898 -5.564211      14.09176 
1 1 1 12  3  54 f 21.86458 7.109207 25.99602       17.42907 8.530820       24.98995 42.53806       24.32054 18.83940 7.939612 27.08675 8.348458 -8.247356      11.52103 
1 1 1 12  3  55 o 45.91759 4.646618 109.1719       20.59729 145.4695       30.33094 78.10745       28.05943 52.12859 6.056991 36.82640 8.012511 15.30219       10.04428 
1 1 1 12  3  56 o 37.97674 5.987377 77.87917       21.52030 74.97235       28.49224 81.74000       32.83664 35.78647 8.295928 36.76563 9.158737 -0.9791603     12.35738 
1 1 1 12  3  57 o 30.83829 8.690085 56.87549       27.34930 56.87549       27.34930 0.000000       0.000000 30.83829 8.690085 ?        ?        ?              ?        
1 1 1 12  3  58 o 45.76840 4.901618 109.8087       21.61735 91.91746       30.10060 128.8651       31.06532 39.73467 8.016085 48.26621 6.760614 -8.531536      10.48635 
1 1 1 12  3  59 o 20.17419 7.562102 20.41280       20.17521 12.82000       31.50595 25.69053       26.26730 20.65709 8.818356 22.28686 8.563967 -1.629768      12.29247 
1 1 1 12  4  0  o 488.5783 9.165135 11715.45       438.3079 11863.05       627.6953 11575.00       612.3129 490.7658 13.07843 484.8052 12.91478 5.960602       18.38033 
1 1 1 12  4  1  o 331.5249 9.004558 5397.642       291.9325 0.000000       0.000000 5397.642       291.9325 ?        ?        331.5249 9.004558 ?              ?        
1 1 1 12  4  2  o 334.1562 7.400970 5474.955       242.0719 6397.000       467.3275 5136.832       282.9975 360.2205 13.27671 323.4124 8.948233 36.80807       16.01068 
1 1 1 12  4  3  o 131.7933 3.663322 851.1357       47.21209 760.7000       78.40115 902.5886       59.13667 124.4155 6.459987 135.6826 4.458786 -11.26707      7.849344 
1 1 1 12  4  4  o 243.5579 5.598806 2906.441       133.4762 2789.000       225.6897 2969.615       165.5277 238.1271 9.703029 246.0256 6.880357 -7.898453      11.89488 
1 1 1 12  4  5  o 608.9993 11.35247 18237.05       676.7267 18181.36       956.5990 18292.85       957.4739 606.4115 16.13029 608.2825 16.09523 -1.870972      22.78689 
1 1 1 12  4  6  o 305.3865 5.899474 4570.415       176.3475 4547.528       249.1129 4593.404       249.6742 304.3012 8.371421 305.8363 8.348043 -1.535156      11.82246 
1 1 1 12  4  7  o 362.5463 6.901799 6445.317       244.9244 6380.446       344.3407 6511.744       348.4465 360.2360 9.774545 363.9236 9.790716 -3.687531      13.83473 
1 1 1 12  4  8  o 162.6984 3.588038 1296.241       57.14082 1235.921       79.46106 1360.836       82.22865 158.7395 5.120730 166.5810 5.048855 -7.841583      7.191162 
1 1 1 12  4  9  o 213.1798 4.360749 2226.142       90.99413 2145.367       126.4381 2312.925       131.0564 209.0921 6.184602 217.1118 6.173192 -8.019699      8.738284 
1 1 1 12  4  10 o 394.4774 7.475500 7637.116       288.6480 7532.718       404.7407 7745.172       411.7700 391.0860 10.58273 396.5584 10.61774 -5.472473      14.99102 
1 1 1 12  4  11 o 150.1738 3.415836 1104.426       50.21085 1139.099       72.92785 1073.176       69.23380 152.3844 4.895652 147.9122 4.788291 4.472229       6.848003 
1 1 1 12  4  12 o 269.3151 5.294425 3555.530       139.5679 3503.573       195.9803 3608.997       198.8078 267.0165 7.505836 271.0078 7.501764 -3.991241      10.61198 
1 1 1 12  4  13 o 222.9465 4.528166 2435.803       98.81647 2373.919       138.2305 2500.480       141.3158 219.8579 6.430168 225.6504 6.404539 -5.792480      9.075526 
1 1 1 12  4  14 o 192.2943 4.052631 1811.763       76.27982 1835.379       109.1194 1789.194       106.6741 193.3453 5.772296 190.9010 5.715233 2.444275       8.123010 
1 1 1 12  4  15 o 136.3890 3.282542 911.1426       43.82239 939.9095       63.64194 885.2051       60.43108 138.3869 4.705160 134.3028 4.603749 4.084076       6.582783 
1 1 1 12  4  16 o 108.0464 3.024405 572.2078       31.95428 600.3335       46.57749 547.2000       43.91987 110.5879 4.311168 105.5770 4.258708 5.010986       6.059931 
1 1 1 12  4  17 o 100.6527 3.012649 496.6494       29.64772 502.7132       42.69227 491.0012       41.20376 101.1776 4.320755 99.99792 4.219069 1.179718       6.038995 
1 1 1 12  4  18 o 179.7702 3.902672 1583.858       68.67301 1646.838       99.66879 1526.936       94.75410 183.0939 5.567804 176.3048 5.497417 6.789154       7.824451 
1 1 1 12  4  19 o 253.1852 5.853434 3147.854       145.0625 3235.355       181.2659 2992.000       241.9187 256.3533 7.231112 245.8288 10.07515 10.52446       12.40152 
1 1 1 12  4  20 o 76.97973 3.757441 291.1386       28.22674 293.7000       56.78632 290.2980       32.53013 76.85851 7.649693 76.81854 4.343971 0.3997040E-01  8.797038 
1 1 1 12  4  21 o 77.97349 3.137130 298.3607       23.89451 290.7101       33.59798 306.1905       33.98931 76.85594 4.485608 78.88869 4.419377 -2.032753      6.296949 
1 1 1 12  4  22 o 139.0149 3.459242 947.1138       47.07047 955.4976       67.32423 939.0966       65.83611 139.4416 4.940373 138.2458 4.872880 1.195755       6.939181 
1 1 1 12  4  23 o 161.3960 4.233934 1278.518       66.82946 1283.000       112.2945 1276.060       83.15929 161.2564 7.131991 161.1127 5.280338 0.1436920      8.873966 
1 1 1 12  4  24 o 136.7634 3.856433 917.9212       51.57369 893.7000       85.08389 931.9895       64.84406 134.6090 6.476541 137.7033 4.818250 -3.094315      8.072244 
1 1 1 12  4  25 o 262.4826 5.240286 3385.229       134.6362 3403.000       267.1702 3379.179       155.8754 261.4419 10.46127 262.0705 6.076498 -0.6285706     12.09802 
1 1 1 12  4  26 o 83.12925 3.186569 339.2306       25.88085 288.9000       44.20318 365.4842       31.92509 76.39472 5.958408 86.23852 3.791293 -9.843796      7.062332 
1 1 1 12  4  27 o 51.14981 4.149218 129.2639       20.59560 83.63000       28.05243 182.6240       30.33438 40.54087 7.339347 60.73127 5.151452 -20.19039      8.966799 
1 1 1 12  4  28 o 79.85260 3.589471 313.4753       27.98428 274.1000       41.78184 345.5089       37.68584 74.37678 5.784554 83.72389 4.616436 -9.347115      7.400847 
1 1 1 12  4  29 o 188.9385 4.060847 1753.452       75.10059 1685.255       103.1166 1830.490       109.5959 184.8156 5.706953 192.5910 5.820369 -7.775436      8.151443 
1 1 1 12  4  30 o 50.59263 4.758530 127.0939       23.28824 127.0939       23.28824 0.000000       0.000000 50.59263 4.758530 ?        ?        ?              ?        
1 1 1 12  4  31 o 52.82757 3.431504 137.6342       17.64797 132.6778       23.71909 143.7807       26.41382 51.68127 4.741561 53.76139 5.079661 -2.080128      6.948767 
1 1 1 12  4  32 o 138.1266 3.922509 939.5175       52.97945 916.6000       87.55218 952.7571       66.54579 135.6651 6.613069 138.8583 4.903709 -3.193253      8.232802 
1 1 1 12  4  33 o 68.61390 3.582024 232.2333       23.97399 248.2000       38.17930 221.8393       30.80426 70.55738 5.573375 66.85783 4.737776 3.699547       7.314987 
1 1 1 12  4  34 o 20.33323 6.372359 20.46035       14.10441 9.507174       19.08869 33.63077       20.93176 18.23819 7.215538 25.69703 7.709964 -7.458843      10.55971 
1 1 1 12  4  35 o 42.36536 4.215760 89.52311       17.25031 88.15631       24.28398 90.91534       24.50883 41.60437 6.148073 42.27533 6.098990 -0.6709671     8.660050 
1 1 1 12  4  36 o 90.81784 3.733634 407.7793       33.11937 466.5000       61.36895 383.6489       39.34012 96.16577 6.558875 87.85707 4.590520 8.308701       8.005730 
1 1 1 12  4  37 o 133.5618 3.428170 880.4847       44.78078 895.0135       63.33083 865.9570       63.32837 134.1041 4.832564 131.8690 4.914848 2.235123       6.892706 
1 1 1 12  4  38 o 65.95659 3.367523 215.2273       21.66881 217.4544       29.97747 212.7903       31.35777 65.97232 4.672465 65.17556 4.952420 0.7967606      6.808700 
1 1 1 12  4  39 o 50.28017 3.796254 125.8294       18.54548 139.9567       25.63044 110.3049       26.86784 52.72519 5.027060 46.44778 6.053545 6.277405       7.868720 
1 1 1 12  4  40 o 79.23040 3.248722 310.5109       25.14134 319.6591       35.14368 300.9212       35.98157 80.00435 4.505949 77.52485 4.764707 2.479500       6.557897 
1 1 1 12  4  41 o 24.38909 6.656871 31.30665       16.33280 35.05725       22.30761 26.97298       23.97899 25.90234 7.997634 23.76421 8.336374 2.138136       11.55237 
1 1 1 12  4  42 o 75.74270 3.710265 285.5089       27.42385 296.2239       35.05204 268.6000       44.03263 76.77968 4.686346 72.35236 6.279624 4.427315       7.835529 
1 1 1 12  4  43 o 43.22079 4.408864 94.44603       18.39108 82.35604       25.53955 107.4675       26.50515 39.44536 6.863876 45.50629 6.104311 -6.060928      9.185609 
1 1 1 12  4  44 o 73.06169 4.191855 268.3082       29.85214 291.2506       34.99474 207.0000       57.20610 75.85857 4.736575 60.55623 9.999840 15.30235       11.06490 
1 1 1 12  4  45 o 22.67457 7.823205 25.98106       21.07279 17.14329       23.25510 66.55000       49.82459 20.73611 8.034033 33.82436 12.00328 -13.08825      14.44384 
1 1 1 12  4  46 o 27.21421 6.610240 40.12155       17.43132 49.91269       24.19880 29.56169       25.13081 29.91389 8.076956 24.10106 8.527441 5.812830       11.74540 
1 1 1 12  4  47 o 29.63081 6.182859 47.09021       17.35174 45.78448       24.07065 48.50276       25.03592 28.60518 8.183549 29.37497 8.327090 -0.7697906     11.67523 
1 1 1 12  4  48 o 93.66301 3.307917 437.9915       30.27935 442.3902       42.35683 433.3943       43.30174 93.23864 4.655834 92.16013 4.816885 1.078514       6.699192 
1 1 1 12  4  49 o 31.31277 5.764286 52.23468       17.01661 16.28029       23.10222 94.87744       25.15941 20.25245 7.960882 42.16555 6.287816 -21.91310      10.14457 
1 1 1 12  4  50 o 49.06243 4.533224 123.4127       21.52413 130.4000       32.92976 118.2005       28.44068 48.93570 7.080273 47.02130 6.340749 1.914394       9.504492 
1 1 1 12  4  51 o 83.04031 3.834074 348.5255       31.08007 316.6000       47.81309 371.8862       40.89988 76.99924 6.401719 84.90565 4.942663 -7.906410      8.087764 
1 1 1 12  4  52 o 67.65749 5.432464 239.5657       35.67438 0.000000       0.000000 239.5657       35.67438 ?        ?        67.65749 5.432464 ?              ?        
1 1 1 12  4  53 o 29.92402 7.840805 51.47585       23.23806 4.406000       49.66940 64.66605       26.29318 23.43634 10.49839 33.43731 8.116383 -10.00097      13.26996 
1 1 1 12  4  54 o 21.60353 7.182237 25.17025       17.75085 -1.162473      24.59219 53.81275       25.64808 17.02175 7.519453 30.29121 8.371613 -13.26946      11.25282 
1 1 1 12  4  55 o 21.35401 7.484488 23.95052       19.32591 44.56661       25.88835 -2.000000      29.04518 27.57074 8.632201 18.17206 8.091722 9.398678       11.83177 
1 1 1 12  4  56 o 57.88716 5.122482 175.2526       28.72551 181.5237       33.11719 156.2000       57.72472 58.34109 5.879369 47.77285 12.27828 10.56823       13.61334 
1 1 1 12  4  57 o 61.98617 4.041732 196.1467       24.38898 175.1530       34.01089 218.3698       34.99250 57.01215 6.194017 64.21185 5.624138 -7.199703      8.366407 
1 1 1 12  4  58 o 47.21673 8.502722 131.4000       37.85203 131.4000       37.85203 0.000000       0.000000 47.21673 8.502722 ?        ?        ?              ?        
1 1 1 12  4  59 o 42.00019 5.742332 95.51517       22.98974 96.72000       36.64199 94.73298       29.52380 39.01935 9.648622 40.31280 7.763726 -1.293453      12.38432 
1 1 1 12  5  0  o 810.9265 15.09259 32439.50       1197.985 33287.63       1729.868 31657.87       1660.664 817.8002 21.62922 797.7251 21.28681 20.07513       30.34718 
1 1 1 12  5  1  f 632.2023 11.80570 19656.53       730.5571 20482.00       1068.647 18932.27       1000.995 643.4520 16.98212 618.7834 16.54157 24.66858       23.70687 
1 1 1 12  5  2  o 556.1107 10.38164 15193.51       565.1105 15753.99       820.7144 14688.20       779.2692 564.9579 14.85411 545.5766 14.60550 19.38129       20.83183 
1 1 1 12  5  3  o 314.8758 8.593271 4868.970       264.6048 0.000000       0.000000 4868.970       264.6048 ?        ?        314.8758 8.593271 ?              ?        
1 1 1 12  5  4  o 133.9757 3.212297 878.8115       42.12577 924.0186       61.97028 839.9761       57.43731 137.2726 4.618618 130.8811 4.490086 6.391571       6.441468 
1 1 1 12  5  5  f 272.6042 5.334856 3641.014       142.3513 3577.404       199.5068 3706.983       203.1735 269.9570 7.557611 274.8061 7.560445 -4.849060      10.69008 
1 1 1 12  5  6  o 269.3080 5.281442 3553.620       139.2220 3463.527       194.0231 3649.241       199.8872 265.6164 7.470055 272.6471 7.497050 -7.030670      10.58336 
1 1 1 12  5  7  o 287.6441 5.596165 4054.874       157.5623 4036.672       222.6699 4073.127       222.9839 286.6914 7.942535 287.9872 7.917834 -1.295746      11.21499 
1 1 1 12  5  8  o 200.0658 4.149482 1960.503       81.25929 1875.659       112.6048 2052.696       117.3799 195.5217 5.890487 204.5508 5.868613 -9.029053      8.314954 
1 1 1 12  5  9  o 252.2220 5.000676 3117.279       123.4576 3006.077       171.1559 3237.893       178.2511 247.4301 7.074230 256.7979 7.098248 -9.367859      10.02147 
1 1 1 12  5  10 o 205.0575 4.232001 2059.855       84.94302 2015.255       119.2660 2105.768       121.0081 202.6391 6.019619 207.1479 5.974227 -4.508804      8.480990 
1 1 1 12  5  11 o 171.2649 3.729617 1436.660       62.52287 1450.292       89.90588 1423.893       87.00674 171.9215 5.349096 170.3582 5.223925 1.563248       7.476779 
1 1 1 12  5  12 o 120.9889 3.090794 717.3053       36.57346 687.7061       52.14254 745.9700       51.31280 118.3804 4.508173 123.3173 4.257430 -4.936867      6.200753 
1 1 1 12  5  13 o 66.31678 2.945547 215.7885       19.07263 195.3666       27.85052 233.8245       26.17311 62.97430 4.548839 68.97630 3.892379 -6.002003      5.986865 
1 1 1 12  5  14 o 328.5959 6.328904 5299.769       203.5621 5395.663       291.6484 5208.675       284.2544 330.9443 9.011621 325.1721 8.939226 5.772156       12.69327 
1 1 1 12  5  15 o 148.5209 3.437848 1080.564       49.97817 1089.860       71.58064 1071.721       69.81213 149.0065 4.914494 147.7672 4.833163 1.239304       6.892874 
1 1 1 12  5  16 o 285.5947 5.594581 4002.155       156.3954 4155.928       227.0960 3863.431       215.6969 290.5331 7.993196 280.1397 7.873978 10.39340       11.22010 
1 1 1 12  5  17 f 360.2150 6.902208 6376.834       243.3638 6591.603       352.1990 6180.594       336.6633 365.3141 9.858541 353.7747 9.731404 11.53937       13.85247 
1 1 1 12  5  18 o 107.2515 3.588325 564.2836       37.61746 574.5609       47.40137 546.8000       61.82535 108.1544 4.487298 105.3491 6.020628 2.805336       7.508915 
1 1 1 12  5  19 f 95.70651 3.657960 449.5462       34.20475 493.4000       68.25600 434.8404       39.52591 99.91592 7.023858 94.07441 4.303841 5.841515       8.237574 
1 1 1 12  5  20 o 184.9549 4.015888 1677.087       72.70322 1691.220       103.9318 1663.543       101.7390 185.4798 5.731487 183.9650 5.656690 1.514771       8.052831 
1 1 1 12  5  21 o 173.5549 3.875111 1476.667       65.83051 1458.652       93.43413 1494.426       92.76626 172.2522 5.548832 174.3686 5.441862 -2.116409      7.771962 
1 1 1 12  5  22 o 256.5237 5.907248 3233.875       148.3266 3339.000       259.7471 3183.008       180.6832 259.3935 10.25041 254.1270 7.271222 5.266495       12.56748 
1 1 1 12  5  23 o 127.6041 3.763590 799.0040       46.95676 880.5000       80.88325 757.5729       57.67052 133.6679 6.198825 124.1498 4.754501 9.518089       7.812216 
1 1 1 12  5  24 o 177.0593 3.895389 1537.457       67.51120 1534.000       130.6601 1538.716       78.85251 176.1967 7.593809 177.0073 4.554904 -0.8105316     8.855117 
1 1 1 12  5  25 o 130.7658 3.341860 838.8051       42.73982 897.2000       83.11959 817.8160       49.83234 134.8553 6.314468 129.0593 3.949364 5.795990       7.447817 
1 1 1 12  5  26 o 206.5296 5.038381 2095.957       101.8543 2107.000       172.5208 2090.049       126.1950 206.1221 8.569568 205.9193 6.268229 0.2028351      10.61735 
1 1 1 12  5  27 o 129.4754 3.828041 823.3037       48.46106 806.3000       78.41467 833.8113       61.64194 127.7529 6.290102 130.1642 4.846603 -2.411331      7.940714 
1 1 1 12  5  28 o 97.38023 3.100566 465.4676       29.51645 408.8000       51.21294 493.6542       36.11879 90.90987 5.785242 100.2287 3.687873 -9.318848      6.860717 
1 1 1 12  5  29 o 58.59658 3.246088 168.9622       18.54549 171.0880       25.17927 166.4416       27.41809 58.83180 4.404418 57.95706 4.878330 0.8747406      6.572443 
1 1 1 12  5  30 o 117.0009 3.171247 672.2630       36.28481 641.5353       49.54967 707.7947       53.28234 114.1044 4.444917 119.8415 4.550505 -5.737099      6.361162 
1 1 1 12  5  31 o 38.35835 5.637590 74.22340       20.53600 74.22340       20.53600 0.000000       0.000000 38.35835 5.637590 ?        ?        ?              ?        
1 1 1 12  5  32 o 156.5824 3.619666 1205.693       55.47759 1220.213       78.16850 1190.957       78.74905 157.0768 5.090816 155.1477 5.192854 1.929123       7.272011 
1 1 1 12  5  33 o 47.13479 4.102896 110.3124       18.74103 118.1000       28.11336 104.0838       25.14244 48.38950 6.068579 45.44788 5.782568 2.941612       8.382466 
1 1 1 12  5  34 o 57.08860 3.760424 161.2682       20.89619 157.4000       31.74128 164.2270       27.76052 55.95528 5.883226 57.37631 4.992641 -1.421036      7.716140 
1 1 1 12  5  35 o 34.67288 4.671924 60.57478       15.45282 69.56369       21.00129 49.96265       22.81887 36.88587 6.024507 30.86884 7.602942 6.017023       9.700485 
1 1 1 12  5  36 o 145.6285 3.525537 1045.991       50.25484 1073.262       71.35881 1019.157       70.78678 146.8769 4.970661 143.0793 5.062371 3.797562       7.094722 
1 1 1 12  5  37 o 19.28205 7.207945 14.68571       18.30391 41.26000       36.28794 5.617235       21.19818 29.23174 10.25511 17.95571 7.419559 11.27603       12.65769 
1 1 1 12  5  38 o 61.54453 4.164231 188.6035       24.93824 278.5000       49.29780 157.6870       28.91021 73.84438 6.900201 55.92921 5.345857 17.91516       8.728744 
1 1 1 12  5  39 o 76.08657 3.257059 286.2526       24.20103 303.9742       33.72992 267.4500       34.74344 78.07653 4.431754 73.07265 4.885556 5.003883       6.596143 
1 1 1 12  5  40 o 39.86253 4.528250 80.12009       17.35583 68.31860       23.27935 94.88889       26.04204 36.09811 6.838681 42.85112 6.405026 -6.753010      9.369734 
1 1 1 12  5  41 o 53.62927 4.088628 143.7699       21.30098 124.4716       26.47402 179.2000       35.87123 49.42778 5.568762 59.11767 6.295756 -9.689896      8.405216 
1 1 1 12  5  42 o 84.12636 3.312312 350.9955       27.22199 338.1755       37.70507 364.9532       39.34253 82.02008 4.716377 85.20580 4.735860 -3.185715      6.683755 
1 1 1 12  5  43 o 54.56908 4.726259 150.7394       24.99606 159.0576       28.65964 124.3000       51.09536 55.82809 5.308394 46.06089 11.39604 9.767197       12.57175 
1 1 1 12  5  44 o 55.32555 4.681696 155.3566       25.11556 144.0509       28.39466 196.0000       53.83734 52.87106 5.570323 59.10686 9.637246 -6.235802      11.13126 
1 1 1 12  5  45 o 19.52422 6.842897 18.35223       16.15449 15.97385       22.63855 20.81978       23.05904 20.30338 7.909904 21.58815 8.086087 -1.284775      11.31156 
1 1 1 12  5  46 o 45.20267 4.491556 104.0707       19.61054 110.0021       27.10511 97.55546       28.40770 45.70293 6.220285 42.57470 7.064250 3.128235       9.412522 
1 1 1 12  5  47 o 65.62453 3.631083 215.9510       23.23338 223.8079       32.65300 207.8947       33.06480 66.06073 5.088991 63.49235 5.370653 2.568378       7.398767 
1 1 1 12  5  48 o 92.32822 3.319980 425.8259       29.95495 404.7841       41.26871 449.2569       43.54856 89.07666 4.750334 93.84929 4.756143 -4.772629      6.722095 
1 1 1 12  5  49 o 47.15018 4.249280 113.2708       19.40103 114.1360       27.18513 112.3727       27.69641 46.37601 6.139353 45.90105 6.333041 0.4749641      8.820377 
1 1 1 12  5  50 o 75.26743 3.499951 284.5067       25.71488 304.7145       36.39407 264.3603       36.33866 77.01032 4.852765 71.43555 5.233261 5.574776       7.136971 
1 1 1 12  5  51 o 22.76654 7.386652 28.25952       18.82160 9.486000       28.36701 43.02430       25.15673 19.94536 8.435111 27.32808 8.502220 -7.382715      11.97660 
1 1 1 12  5  52 o 25.44760 7.267493 36.42675       18.99957 22.77000       28.48148 47.37686       25.50341 22.46669 8.836829 28.50364 8.500611 -6.036949      12.26173 
1 1 1 12  5  53 o 33.79460 6.350941 62.37095       20.23724 38.63000       31.51109 79.03698       26.40161 26.20975 9.515571 37.46465 7.461767 -11.25490      12.09231 
1 1 1 12  5  54 o 50.07439 6.037472 134.2328       28.99569 173.1000       51.80281 116.5000       34.99049 52.95874 10.36455 45.02031 8.243979 7.938435       13.24338 
1 1 1 12  5  55 o 45.73566 6.061893 112.3449       26.46988 128.6314       30.55113 63.31000       53.01091 48.60435 6.591348 31.40571 12.14019 17.19864       13.81412 
1 1 1 12  5  56 o 71.55306 3.793745 259.7863       26.47572 296.7098       37.36233 222.5447       37.52283 75.43460 5.089875 64.51186 6.011425 10.92274       7.876805 
1 1 1 12  5  57 o 46.72168 4.680740 113.4779       21.11823 107.3209       29.95455 119.5622       29.77759 43.73423 7.251234 46.60252 6.721994 -2.868298      9.887649 
1 1 1 12  5  58 o 37.15307 6.247675 75.81887       21.91509 116.9000       35.11597 49.61201       28.04729 44.57884 8.354551 28.50321 8.993407 16.07563       12.27517 
1 1 1 12  5  59 o 39.77847 5.613376 85.44973       21.24955 68.28297       30.05641 102.6050       30.04639 33.09885 9.028902 42.16296 7.558033 -9.064106      11.77476 
1 1 1 12  6  0  o 175.8632 4.355164 1514.722       74.96970 1382.000       123.5564 1592.057       94.31559 167.6949 7.546636 180.1850 5.353533 -12.49013      9.252677 
1 1 1 12  6  1  f 676.0770 12.58127 22503.07       832.5814 23444.29       1212.990 21664.61       1144.858 687.7045 18.03532 661.2225 17.70470 26.48193       25.27310 
1 1 1 12  6  2  o 242.8545 4.839771 2889.060       115.0475 2920.042       164.3117 2859.263       161.1382 243.9449 6.888197 241.3964 6.826496 2.548492       9.697850 
1 1 1 12  6  3  o 211.4016 6.146816 2192.294       127.0583 1949.000       167.8271 2519.000       194.4800 199.0821 8.632909 226.3583 8.794263 -27.27615      12.32340 
1 1 1 12  6  4  o 270.8366 5.307191 3594.061       140.6949 3576.321       198.9900 3611.794       198.9553 269.9066 7.539406 271.2472 7.500689 -1.340576      10.63499 
1 1 1 12  6  5  o 76.06692 2.904195 283.6967       21.58387 266.5607       32.23343 297.6255       29.06090 73.63259 4.493691 77.86472 3.824662 -4.232132      5.900958 
1 1 1 12  6  6  o 218.8695 4.449093 2346.539       95.31538 2230.067       131.3613 2476.043       138.5157 213.1819 6.302137 224.6408 6.305713 -11.45889      8.915097 
1 1 1 12  6  7  o 102.8932 2.927037 518.7691       29.44960 492.5793       42.34031 543.3134       40.98863 100.1859 4.327797 105.2484 3.985907 -5.062538      5.883645 
1 1 1 12  6  8  o 138.4865 3.284154 939.1225       44.51816 905.2587       63.24170 972.3857       62.67844 135.8436 4.763549 140.8098 4.553555 -4.966156      6.589860 
1 1 1 12  6  9  o 339.2950 6.501941 5646.688       215.9368 5521.296       301.5395 5778.680       309.3727 335.0099 9.204329 342.7301 9.230370 -7.720215      13.03531 
1 1 1 12  6  10 o 50.09089 3.336701 123.4192       16.26669 117.5605       26.66572 126.8915       20.52879 48.63459 5.710105 50.72338 4.171580 -2.088787      7.071589 
1 1 1 12  6  11 o 249.8512 4.970660 3059.751       121.5631 2962.342       169.0629 3164.025       174.9189 245.5582 7.041034 253.7852 7.048311 -8.227005      9.962673 
1 1 1 12  6  12 f 184.1615 3.924092 1661.537       70.73661 1638.971       100.3118 1683.859       99.76383 182.7248 5.615181 185.2228 5.508780 -2.497955      7.866188 
1 1 1 12  6  13 o 212.1869 4.362738 2206.464       90.61163 2280.819       131.5060 2139.254       125.0277 215.4916 6.241182 208.7050 6.126854 6.786621       8.745895 
1 1 1 12  6  14 o 136.1030 3.293643 907.3387       43.87836 846.2186       61.18747 972.0453       62.95712 131.2936 4.769084 140.7446 4.575986 -9.450989      6.609373 
1 1 1 12  6  15 f 168.7288 3.716015 1394.883       61.37239 1466.895       89.99418 1332.275       83.91201 172.8468 5.325559 164.7286 5.210694 8.118240       7.450698 
1 1 1 12  6  16 o 123.6835 3.696850 750.2254       44.70561 746.4424       55.24838 757.4000       76.08588 123.3027 4.585619 124.0346 6.287440 -0.7318954     7.782018 
1 1 1 12  6  17 o 190.8926 4.736622 1787.081       88.50423 1811.000       158.7537 1776.294       106.6083 191.5488 8.488252 190.1394 5.734684 1.409409       10.24388 
1 1 1 12  6  18 o 155.4590 3.583686 1184.284       54.53209 1139.353       76.27464 1231.263       77.99414 152.2959 5.123947 158.3355 5.038842 -6.039627      7.186429 
1 1 1 12  6  19 o 144.5199 3.463733 1023.469       48.99797 1019.920       69.98412 1026.881       68.62312 144.0888 4.969510 144.5925 4.855511 -0.5036774     6.947806 
1 1 1 12  6  20 o 115.2582 3.209692 651.3975       36.17580 638.7972       51.73659 663.4517       50.60287 114.0177 4.645472 116.2189 4.456539 -2.201241      6.437480 
1 1 1 12  6  21 o 187.4794 4.616158 1724.453       84.71114 1848.000       149.9470 1666.538       102.6638 193.4562 7.935454 184.0980 5.704089 9.358246       9.772823 
1 1 1 12  6  22 f 127.8109 3.720781 801.5029       46.49923 786.0000       76.04225 810.7619       58.76675 126.2889 6.170212 128.4540 4.681715 -2.165054      7.745319 
1 1 1 12  6  23 o 277.9781 5.489496 3796.494       149.3651 3882.000       299.6911 3768.235       172.2883 279.2654 10.98496 276.7582 6.359881 2.507172       12.69320 
1 1 1 12  6  24 o 133.4357 3.355685 873.3252       43.79401 864.5000       81.99017 876.8482       51.80284 132.3847 6.345767 133.6468 3.964325 -1.262024      7.482288 
1 1 1 12  6  25 o 181.1371 4.588178 1611.919       81.28382 1650.000       137.8750 1591.633       100.6319 182.6329 7.730072 179.8026 5.725158 2.830215       9.619327 
1 1 1 12  6  26 o 166.5456 4.352211 1362.712       70.88871 1329.000       116.2596 1382.663       89.43846 163.9121 7.264267 167.5784 5.459843 -3.666321      9.087324 
1 1 1 12  6  27 o 114.9022 3.165507 647.8379       35.56836 651.6000       65.90103 646.2915       42.25063 114.8706 5.880641 114.7026 3.768285 0.1680756      6.984405 
1 1 1 12  6  28 o 94.69663 3.084533 440.2172       28.55291 412.3000       50.37230 453.4336       34.65875 91.30623 5.664073 96.04653 3.693475 -4.740303      6.761914 
1 1 1 12  6  29 o 174.9510 3.888438 1503.477       66.58828 1461.000       126.7858 1519.657       78.24922 171.4300 7.574450 175.7129 4.553405 -4.282883      8.837748 
1 1 1 12  6  30 o 48.56354 3.531347 116.4315       16.67167 118.1690       22.30728 114.2331       25.09230 48.76037 4.733315 47.81115 5.459473 0.9492188      7.225656 
1 1 1 12  6  31 o 35.14344 4.492120 61.81334       15.09980 38.26791       19.53477 96.76340       23.80012 27.24774 7.212554 43.88193 5.673652 -16.63418      9.176670 
1 1 1 12  6  32 o 113.7443 3.613791 636.9868       40.18348 621.8550       48.17273 671.6000       72.85799 112.2237 4.393903 116.0566 6.438825 -3.832916      7.795181 
1 1 1 12  6  33 o 35.04682 4.592952 61.67513       15.37723 64.34786       20.91719 58.53198       22.68339 35.45868 6.255186 33.60453 7.117864 1.854149       9.475829 
1 1 1 12  6  34 o 92.47406 3.501203 421.6623       31.63430 448.8000       51.92749 405.6472       39.89116 94.86103 5.617618 90.47320 4.518844 4.387833       7.209548 
1 1 1 12  6  35 o 87.55390 3.527987 378.4490       30.17299 388.9000       48.34520 371.7807       38.61737 88.17279 5.631035 86.52238 4.576096 1.650406       7.255978 
1 1 1 12  6  36 o 36.56844 4.992565 67.64960       17.40431 65.84000       25.53946 69.21865       23.78131 35.40413 7.597215 36.50249 6.908845 -1.098370      10.26888 
1 1 1 12  6  37 o 86.60623 3.119188 370.0576       26.39898 384.6352       36.60564 354.2596       38.10719 87.99496 4.262632 84.32652 4.634573 3.668442       6.296768 
1 1 1 12  6  38 o 87.04848 3.800396 375.6267       32.30341 408.7000       58.97163 361.4482       38.61167 89.59798 6.774360 85.11691 4.652118 4.481071       8.217916 
1 1 1 12  6  39 o 62.45558 4.269684 194.6057       25.94497 243.6000       50.27864 176.8247       30.28922 68.58500 7.617770 59.21917 5.280743 9.365833       9.269125 
1 1 1 12  6  40 o 53.64466 4.035977 143.6673       21.03705 149.1997       26.47982 134.2000       34.63906 54.38326 5.031466 50.77949 7.168162 3.603771       8.757751 
1 1 1 12  6  41 o 55.34656 3.751186 152.6346       20.20188 161.3662       27.69424 142.7043       29.53395 56.51291 5.060007 52.85487 5.803982 3.658035       7.699992 
1 1 1 12  6  42 o 70.96975 4.155365 252.0334       28.73985 250.2182       32.95414 257.8000       58.73685 70.45310 4.807436 69.20291 8.875277 1.250191       10.09366 
1 1 1 12  6  43 o 46.96084 5.092771 112.6059       23.03542 99.91814       25.66872 165.1000       52.21163 43.78887 6.158672 54.02591 10.24807 -10.23703      11.95626 
1 1 1 12  6  44 o 45.94484 4.230909 106.7395       18.81374 106.5811       25.57816 106.9262       27.77009 45.23726 5.918319 45.04920 6.484265 0.1880569      8.779077 
1 1 1 12  6  45 o 19.14623 6.811892 17.29349       16.05578 31.25114       22.02002 1.449252       23.46103 24.29838 7.996372 17.48562 7.539299 6.812756       10.99013 
1 1 1 12  6  46 o 62.64334 3.650167 196.7411       22.28478 201.2168       31.07163 192.0002       31.97883 62.65004 5.111210 61.02520 5.409599 1.624847       7.442327 
1 1 1 12  6  47 o 12.70848 5.755461 -7.018084      15.40128 21.33018       21.29267 -38.12292      22.30390 21.26721 7.806274 11.90413 5.814199 9.363082       9.733592 
1 1 1 12  6  48 o 58.13985 3.702986 170.1035       20.96376 179.2821       29.21648 160.3629       30.09763 58.97781 5.111375 55.46734 5.621081 3.510464       7.597546 
1 1 1 12  6  49 o 18.26241 6.796750 14.84682       16.23974 4.649497       22.30623 26.34762       23.68902 17.53105 7.449755 22.82869 8.255706 -5.297647      11.12005 
1 1 1 12  6  50 o 24.87037 7.194677 34.37560       18.50718 58.05000       28.06365 16.15560       24.61948 31.51773 8.774619 20.45417 8.161189 11.06356       11.98328 
1 1 1 12  6  51 f 25.81861 6.820780 37.08637       17.49223 55.37503       24.56580 18.27654       24.91336 31.02513 8.028329 20.90737 8.252076 10.11776       11.51307 
1 1 1 12  6  52 o 55.39423 4.014011 156.1389       21.61689 165.0163       30.08247 146.6606       31.08391 56.00091 5.561382 52.34377 6.186269 3.657135       8.318587 
1 1 1 12  6  53 o 54.43192 5.047079 154.3329       26.58432 165.8000       38.32620 143.7000       36.90582 54.68772 7.345349 50.59109 7.694888 4.096630       10.63793 
1 1 1 12  6  54 o 26.36300 7.474259 39.58704       20.16900 49.20000       31.15609 32.65257       26.46191 28.64815 9.515011 24.39878 8.737896 4.249369       12.91845 
1 1 1 12  6  55 o 16.91763 7.302030 2.902766       22.05256 28.00000       46.87921 -4.229147      24.99024 25.75113 10.86464 16.64518 7.452199 9.105951       13.17481 
1 1 1 12  6  56 f 12.56219 6.020298 -25.06070      21.21023 -22.24000      46.16304 -25.81551      23.88011 19.98159 9.367668 13.49625 6.446260 6.485344       11.37134 
1 1 1 12  6  57 o 19.31606 7.388917 17.07815       19.49397 41.40000       30.93394 1.056710       25.10659 26.51299 9.452799 17.41403 7.648741 9.098957       12.15971 
1 1 1 12  6  58 o 34.79569 6.726443 67.89385       22.08067 59.58000       34.70991 73.54547       28.61798 30.47067 10.04004 35.01914 8.447169 -4.548468      13.12086 
1 1 1 12  6  59 o 27.35626 7.751653 44.28870       21.69980 63.49746       28.87418 19.36000       32.89348 31.99854 8.897427 21.95152 9.170681 10.04702       12.77754 
1 1 1 12  7  0  o 601.4279 11.23929 17794.11       661.6503 18702.92       972.1913 17009.96       903.0583 614.7052 16.17171 586.3758 15.74805 28.32941       22.57267 
1 1 1 12  7  1  o 440.0107 8.286886 9502.314       356.9118 9893.815       519.5595 9152.476       491.1377 448.1691 11.85410 431.0873 11.65011 17.08176       16.62062 
1 1 1 12  7  2  o 168.8253 3.692707 1395.724       61.02230 1419.034       88.07197 1374.200       84.62816 170.0958 5.296237 167.3930 5.171216 2.702850       7.402135 
1 1 1 12  7  3  o 247.6131 6.989494 3009.383       169.2352 2887.000       234.2500 3143.000       244.7657 242.1668 9.903212 252.6909 9.915133 -10.52406      14.01369 
1 1 1 12  7  4  o 281.0091 5.483997 3869.874       150.8425 3889.699       214.7855 3850.580       211.8911 281.4283 7.804597 280.0167 7.738186 1.411621       10.99051 
1 1 1 12  7  5  o 358.2975 6.833015 6296.508       239.6417 6274.901       338.6742 6318.175       339.1353 357.1629 9.696423 358.3971 9.676090 -1.234131      13.69844 
1 1 1 12  7  6  o 191.2925 4.022422 1792.297       75.31677 1733.858       105.4212 1853.223       107.6415 187.9854 5.735957 194.3603 5.664084 -6.374832      8.061206 
1 1 1 12  7  7  o 126.4275 3.159418 782.6696       39.09804 737.6827       55.52799 826.9027       55.06092 122.6175 4.634853 129.8498 4.338166 -7.232330      6.348350 
1 1 1 12  7  8  o 260.0488 5.138211 3314.336       130.7895 3226.836       182.5822 3406.557       187.4422 256.3087 7.285000 263.3560 7.278376 -7.047302      10.29786 
1 1 1 12  7  9  o 142.8566 3.363385 999.4335       47.03086 930.9296       65.93470 1070.389       67.10409 137.7378 4.898314 147.7251 4.646532 -9.987305      6.751573 
1 1 1 12  7  10 f 116.9872 3.063210 670.6506       35.04673 595.0917       48.78024 751.2655       50.38586 110.1076 4.535773 123.7616 4.165199 -13.65402      6.158094 
1 1 1 12  7  11 o 123.1068 3.150905 742.6851       37.93731 722.0739       54.97029 761.4305       52.42322 121.2923 4.638630 124.5826 4.305398 -3.290276      6.328771 
1 1 1 12  7  12 o 201.8748 4.202600 1996.994       83.04364 2041.663       120.0351 1955.987       115.0089 203.8996 6.020906 199.5860 5.893469 4.313538       8.425218 
1 1 1 12  7  13 o 208.6999 4.312341 2134.654       88.09304 2133.751       125.5740 2135.529       123.6139 208.4140 6.162312 208.5132 6.063020 -0.9924316E-01 8.644899 
1 1 1 12  7  14 o 309.9550 6.010198 4715.441       182.3449 4714.837       258.3264 4716.041       257.4252 309.3674 8.538932 309.4142 8.507792 -0.4684448E-01 12.05387 
1 1 1 12  7  15 o 101.5491 3.536709 505.8359       35.10089 509.1259       43.89355 500.0000       58.46024 101.8154 4.414836 100.7514 5.954484 1.063934       7.412602 
1 1 1 12  7  16 o 172.3923 4.437030 1458.009       74.80927 1330.000       128.4969 1523.643       92.01012 164.1866 8.019821 176.1380 5.342921 -11.95139      9.636614 
1 1 1 12  7  17 o 72.29394 3.076554 256.4833       21.72094 251.1746       31.80757 261.1222       29.73333 71.42172 4.573856 72.86283 4.186621 -1.441109      6.200641 
1 1 1 12  7  18 o 279.5418 5.513497 3836.257       150.8621 3884.525       215.6399 3789.984       211.1338 280.7430 7.854908 277.3200 7.785751 3.423035       11.05972 
1 1 1 12  7  19 o 142.6016 3.462913 996.5168       48.33617 1022.951       70.70372 973.3216       66.23065 144.2925 5.013633 140.7662 4.813867 3.526367       6.950527 
1 1 1 12  7  20 o 121.8895 3.619833 728.8392       43.13995 686.3000       69.59434 755.3849       54.97645 118.0224 6.044384 124.0092 4.536795 -5.986801      7.557585 
1 1 1 12  7  21 o 155.5075 4.094087 1186.699       62.26397 1196.000       105.1443 1181.676       77.26897 155.7327 6.914867 155.0639 5.097754 0.6688538      8.590837 
1 1 1 12  7  22 o 231.2423 4.709498 2624.273       106.5978 2672.000       212.0357 2608.130       123.3142 232.2153 9.347605 230.4196 5.467483 1.795776       10.82918 
1 1 1 12  7  23 o 196.1962 4.183050 1888.314       80.33224 2070.000       165.0284 1831.894       91.96325 204.5643 8.258787 193.1021 4.869312 11.46220       9.587376 
1 1 1 12  7  24 o 96.73354 4.123302 459.9316       38.95211 508.5000       54.44385 409.0000       55.75269 101.5598 5.497214 90.93755 6.302481 10.62225       8.363051 
1 1 1 12  7  25 o 75.49077 3.194691 279.8507       23.55299 292.1000       40.09024 273.3944       29.10562 76.89935 5.359653 74.54099 4.003797 2.358368       6.690012 
1 1 1 12  7  26 o 87.03705 3.012172 371.7849       25.62330 371.4000       44.83696 371.9716       31.22440 86.73940 5.306361 87.00002 3.674918 -0.2606125     6.454649 
1 1 1 12  7  27 o 114.1111 3.160619 639.0083       35.26857 656.3000       65.32403 631.8942       41.90020 115.2801 5.807828 113.4076 3.779852 1.872452       6.929513 
1 1 1 12  7  28 o 149.0299 3.524253 1089.969       51.40991 1236.000       104.8042 1043.697       58.99538 157.9717 6.793748 145.6983 4.140933 12.27347       7.956276 
1 1 1 12  7  29 o 74.59720 3.022612 273.4308       22.02474 248.6000       38.23640 285.7603       26.94359 70.77666 5.563965 76.19851 3.622834 -5.421852      6.639475 
1 1 1 12  7  30 o 94.80064 2.984000 441.4344       27.65509 435.8989       37.75901 447.8398       40.61768 94.05141 4.111494 95.29208 4.366241 -1.240662      5.997370 
1 1 1 12  7  31 f 94.30659 3.031485 437.1013       27.94725 443.4074       38.40856 430.0060       40.74128 94.81298 4.148648 93.30705 4.473848 1.505928       6.101360 
1 1 1 12  7  32 f 202.6205 4.289819 2024.156       85.08022 2075.961       121.2959 1973.981       119.3705 204.3605 6.070501 199.2441 6.128042 5.116348       8.625769 
1 1 1 12  7  33 o 65.69884 3.502676 213.0364       22.44354 231.7764       28.03618 179.6000       37.44928 68.41201 4.207130 59.66238 6.518576 8.749626       7.758337 
1 1 1 12  7  34 o 74.83090 3.156184 275.9624       23.06605 282.2491       31.67676 268.8665       33.65356 75.45750 4.306648 73.55145 4.699059 1.906044       6.374039 
1 1 1 12  7  35 o 21.67338 6.401124 23.95620       14.51775 22.56778       19.26121 25.78253       22.09084 21.89376 7.481928 23.36255 8.011859 -1.468798      10.96217 
1 1 1 12  7  36 o 43.65842 4.435497 95.42290       18.69185 98.35000       27.79234 93.00537       25.25761 43.72743 6.706995 42.63723 6.236400 1.090199       9.158409 
1 1 1 12  7  37 o 160.2002 4.293050 1273.684       67.25794 1264.000       112.6951 1279.042       83.82305 157.5198 7.329187 159.9186 5.362571 -2.398773      9.081528 
1 1 1 12  7  38 o 21.71687 6.627405 24.05777       15.37450 30.94413       20.83324 15.82212       22.78300 24.61207 7.749033 20.74047 7.974220 3.871605       11.11916 
1 1 1 12  7  39 o 72.65656 4.801659 264.4115       33.95710 233.6000       52.90359 286.0000       44.28328 66.78777 8.268955 75.07142 6.078358 -8.283653      10.26265 
1 1 1 12  7  40 o 15.78833 6.868951 -1.990223      19.83115 58.43000       43.04781 -18.26718      22.34326 33.11908 11.18709 14.25037 6.626413 18.86871       13.00232 
1 1 1 12  7  41 o 43.00301 5.371058 94.45012       22.11656 101.5392       24.88780 67.83000       48.22781 44.43895 5.864601 35.06170 11.84105 9.377251       13.21378 
1 1 1 12  7  42 o 70.88087 4.135412 251.5246       28.56693 274.6264       33.12627 184.5000       56.42435 73.87978 4.603671 57.30770 10.44348 16.57208       11.41316 
1 1 1 12  7  43 f 39.12576 4.631095 77.98621       17.39242 83.26820       23.54997 71.64842       25.79644 39.84354 6.243385 36.39082 7.491825 3.452721       9.752297 
1 1 1 12  7  44 o 125.4405 3.442764 783.7585       42.23187 796.2523       59.21181 770.8221       60.25154 125.3841 4.833636 123.2123 5.006258 2.171799       6.958927 
1 1 1 12  7  45 o 113.6874 3.398340 644.2864       37.77440 663.2952       53.21797 624.9847       53.62651 114.3567 4.764781 110.8415 4.955303 3.515175       6.874457 
1 1 1 12  7  46 o 15.88091 6.506763 6.115820       16.12329 7.761363       21.87055 4.156783       23.86308 18.15737 7.522700 18.04971 7.688977 0.1076660      10.75692 
1 1 1 12  7  47 o 19.09076 6.886683 17.10659       16.47110 30.09811       22.56236 2.282755       24.10099 23.86777 8.098799 17.74296 7.645772 6.124811       11.13770 
1 1 1 12  7  48 o 25.96023 6.664670 36.89171       17.02070 58.07248       23.80778 14.74800       24.34295 32.22617 7.660627 20.22246 8.099554 12.00370       11.14845 
1 1 1 12  7  49 f 21.72004 7.276010 24.79161       18.21155 50.15000       27.28851 4.427626       24.45403 29.48596 8.792960 18.13530 7.756132 11.35066       11.72492 
1 1 1 12  7  50 o 47.35995 4.350536 114.8491       19.94273 92.51424       26.96307 141.8244       29.63203 41.09216 6.951156 51.72182 5.962004 -10.62966      9.157732 
1 1 1 12  7  51 o 10.90803 5.223811 -19.89382      15.90634 -21.92528      21.44576 -17.40971      23.71494 13.06635 6.203451 14.46631 6.759997 -1.399965      9.174986 
1 1 1 12  7  52 o 26.35562 7.121552 39.03270       18.80407 42.72495       24.03769 33.21000       30.18628 27.21708 8.283059 24.95068 9.270236 2.266405       12.43167 
1 1 1 12  7  53 f 25.48938 7.065856 36.54438       18.24058 32.07606       25.24637 41.42421       26.38331 24.18807 8.548058 26.72309 8.750606 -2.535023      12.23284 
1 1 1 12  7  54 o 37.66037 7.993008 81.56243       28.55192 65.39000       33.80629 121.8000       53.32436 32.52007 9.807488 42.15720 12.21753 -9.637131      15.66700 
1 1 1 12  7  55 o 31.92992 6.898144 57.00975       20.92861 81.69000       33.62665 41.40497       26.73853 36.66552 9.343799 26.64866 8.813409 10.01686       12.84456 
1 1 1 12  7  56 o 22.79860 8.513184 26.96276       25.51914 0.000000       0.000000 26.96276       25.51914 ?        ?        22.79860 8.513184 ?              ?        
1 1 1 12  7  57 o 41.72607 7.351683 98.51799       28.92966 0.000000       0.000000 98.51799       28.92966 ?        ?        41.72607 7.351683 ?              ?        
1 1 1 12  7  58 f 24.06801 7.515779 33.37667       19.63834 44.15133       30.00962 25.30657       25.97158 26.92285 9.333570 22.22306 8.521691 4.699791       12.63862 
1 1 1 12  7  59 o 18.63828 7.329441 15.13343       19.58983 38.92453       30.11700 -2.314692      25.79162 25.49947 9.296010 16.88831 7.565169 8.611162       11.98531 
1 1 1 12  8  0  o 308.8756 5.977733 4676.797       180.7283 4703.882       257.8904 4650.657       253.3472 309.3934 8.523773 307.6516 8.420917 1.741821       11.98193 
1 1 1 12  8  1  o 240.8532 4.816019 2842.125       113.5395 2877.409       162.6526 2808.592       158.5636 242.1138 6.870282 239.2081 6.778909 2.905716       9.651651 
1 1 1 12  8  2  o 173.2371 3.763670 1469.752       63.82027 1416.263       89.53517 1524.998       90.99348 169.9116 5.390315 176.3282 5.278026 -6.416519      7.544074 
1 1 1 12  8  3  o 463.6862 8.716825 10560.59       395.6295 10944.80       574.2330 10213.42       545.8543 471.0005 12.46644 455.0385 12.26644 15.96201       17.48936 
1 1 1 12  8  4  o 109.1510 3.012837 583.7869       32.15836 578.3801       47.17481 588.4804       43.95345 108.5665 4.448659 109.5330 4.106876 -0.9665146     6.054503 
1 1 1 12  8  5  o 281.7859 6.349618 3894.027       175.1351 4100.000       314.5016 3801.446       210.8530 288.3179 11.16521 278.1705 7.751506 10.14740       13.59219 
1 1 1 12  8  6  o 197.6432 4.121480 1913.500       79.73359 1861.722       112.0845 1966.546       113.4485 194.7720 5.885881 200.1932 5.795631 -5.421234      8.260324 
1 1 1 12  8  7  o 218.4250 4.454434 2337.520       95.23601 2278.130       133.6358 2398.810       135.7574 215.4188 6.344633 221.0624 6.280334 -5.643600      8.927316 
1 1 1 12  8  8  f 244.8782 4.887832 2938.859       117.1582 2840.773       163.0563 3043.540       168.4486 240.4893 6.934087 248.9327 6.919916 -8.443451      9.796265 
1 1 1 12  8  9  o 236.4982 4.747154 2741.171       109.8923 2686.199       154.3719 2797.648       156.4718 233.8521 6.751113 238.6639 6.704615 -4.811768      9.514693 
1 1 1 12  8  10 o 367.9355 7.018018 6647.031       252.7507 6866.587       366.2700 6447.433       349.2258 373.2001 10.03570 361.6643 9.874180 11.53580       14.07887 
1 1 1 12  8  11 o 414.0971 7.842282 8428.668       317.8709 8510.459       453.1519 8349.436       446.0079 415.0370 11.16466 411.1136 11.09358 3.923370       15.73903 
1 1 1 12  8  12 o 168.5204 3.709076 1391.331       61.18209 1361.169       86.74825 1421.184       86.30255 166.5073 5.329431 170.1560 5.187735 -3.648621      7.437434 
1 1 1 12  8  13 o 103.3106 3.002360 523.1710       30.32865 571.6050       46.26443 486.6709       40.16232 107.8996 4.389641 99.56650 4.129935 8.333061       6.027048 
1 1 1 12  8  14 o 88.51723 3.479979 384.4502       30.09287 406.6000       63.36598 377.9998       34.19501 90.66979 7.198874 87.73466 3.992316 2.935127       8.231791 
1 1 1 12  8  15 o 342.4203 6.589213 5760.435       220.8510 5525.687       304.0883 6022.479       321.2813 334.6141 9.293303 349.3083 9.405149 -14.69418      13.22204 
1 1 1 12  8  16 o 153.4484 3.536609 1153.762       53.11972 1169.231       76.88271 1139.633       73.47815 154.2917 5.097728 152.3412 4.934098 1.950424       7.094516 
1 1 1 12  8  17 o 131.5522 3.331818 848.4655       42.86828 773.3441       59.71555 928.3438       61.57712 125.4603 4.871930 137.5054 4.581423 -12.04502      6.687685 
1 1 1 12  8  18 f 54.19309 3.747045 144.6349       19.75408 123.4000       31.76485 158.0263       25.22521 49.65207 6.707242 56.57478 4.594698 -6.922710      8.130089 
1 1 1 12  8  19 o 206.2379 4.934380 2087.328       99.61098 2061.000       169.1110 2101.316       123.2636 204.2224 8.478282 206.6913 6.099328 -2.468872      10.44428 
1 1 1 12  8  20 o 283.9944 5.606590 3961.771       155.8529 3913.347       219.4999 4011.005       221.3300 281.6173 7.970873 285.1217 7.938284 -3.504395      11.24950 
1 1 1 12  8  21 o 76.48808 3.158469 287.1640       23.59616 316.9000       42.29969 273.7307       28.43070 80.14258 5.424177 74.61539 3.906324 5.527191       6.684390 
1 1 1 12  8  22 o 308.1209 6.938179 4675.528       209.2536 4661.000       358.8007 4683.017       257.5978 305.5214 12.02137 307.7527 8.559654 -2.231323      14.75741 
1 1 1 12  8  23 o 106.8923 3.583875 560.8366       37.44474 555.8000       59.70682 564.1018       48.07364 106.1646 5.767290 107.1031 4.596326 -0.9384537     7.374812 
1 1 1 12  8  24 o 134.2967 3.381467 884.7730       44.41515 1038.000       90.09120 835.5729       51.05025 145.0527 6.360736 130.4443 4.002955 14.60844       7.515492 
1 1 1 12  8  25 o 125.0701 3.244338 767.4138       39.68431 816.3000       76.95128 749.7017       46.31878 128.6049 6.130622 123.5580 3.834476 5.046875       7.231025 
1 1 1 12  8  26 o 167.4767 4.335948 1378.392       71.01977 1628.000       130.9032 1274.274       84.54410 181.3299 7.390705 160.8432 5.377563 20.48672       9.140060 
1 1 1 12  8  27 o 186.4576 4.027681 1707.218       73.50917 1783.000       146.1587 1681.559       85.04848 189.4954 7.897189 184.8800 4.703524 4.615479       9.191774 
1 1 1 12  8  28 o 163.0329 3.685203 1305.032       58.80888 1307.000       113.3954 1304.308       68.78181 162.2850 7.156164 162.8338 4.319233 -0.5487823     8.358616 
1 1 1 12  8  29 o 41.91490 3.748373 86.99485       15.21647 59.25000       22.97301 108.6818       20.31076 33.93937 7.141746 46.78345 4.490421 -12.84407      8.436137 
1 1 1 12  8  30 o 63.11297 3.064982 195.9833       18.87784 191.4689       24.96432 202.0123       28.84982 62.24612 4.120525 63.86285 4.646976 -1.616730      6.210726 
1 1 1 12  8  31 o 131.1518 3.296328 845.7499       42.28308 917.6687       60.90248 778.8246       58.75020 136.3301 4.570372 125.5263 4.790337 10.80378       6.620848 
1 1 1 12  8  32 o 101.8802 3.082074 510.5027       30.70008 560.6942       43.74132 461.7750       43.09874 106.5546 4.202095 96.60199 4.570943 9.952606       6.208955 
1 1 1 12  8  33 o 65.86746 3.164289 213.8441       20.34142 192.7913       27.36694 239.8336       30.40682 62.29815 4.518631 69.52441 4.492192 -7.226265      6.371642 
1 1 1 12  8  34 o 56.27517 3.741572 156.8597       20.49291 133.2519       24.53038 211.4000       37.28502 51.61309 4.914804 64.83971 5.940670 -13.22662      7.710179 
1 1 1 12  8  35 o 25.66306 6.815145 34.33786       17.40558 29.29921       19.15110 58.26000       41.72889 24.01969 7.409168 33.56202 11.00591 -9.542328      13.26747 
1 1 1 12  8  36 o 41.54020 4.209187 86.31364       16.87887 81.75553       22.29345 92.43613       25.83740 40.01157 5.866457 42.43076 6.421607 -2.419189      8.697836 
1 1 1 12  8  37 o 68.18167 3.713230 230.5193       24.68786 233.1000       37.75420 228.5914       32.63120 67.96136 5.728698 67.54917 4.970022 0.4121933      7.584135 
1 1 1 12  8  38 o 138.6890 4.778179 959.7302       64.76815 918.6000       88.14397 1008.000       95.48820 134.4310 6.719949 140.6480 6.957611 -6.216949      9.672956 
1 1 1 12  8  39 o 93.25143 3.244751 429.9781       29.57201 421.4911       40.37797 439.7971       43.43101 91.89234 4.502807 93.76994 4.747285 -1.877594      6.543087 
1 1 1 12  8  40 o 86.24522 5.183733 374.4648       43.55869 375.0000       60.78702 373.9000       62.44920 85.11962 7.368327 84.84876 7.599656 0.2708588      10.58523 
1 1 1 12  8  41 o 78.37401 5.430844 311.3794       41.40485 349.7000       58.45700 272.8000       58.65411 81.92458 7.368452 71.54819 8.543826 10.37639       11.28233 
1 1 1 12  8  42 o 45.56698 4.231419 104.6355       18.65744 105.1539       25.40673 104.0288       27.48711 45.08633 5.898317 44.59743 6.486714 0.4889030      8.767418 
1 1 1 12  8  43 o 67.33601 3.466285 226.0995       22.76951 234.3081       31.39087 216.9852       33.07718 68.00758 4.745404 65.19842 5.226798 2.809158       7.059623 
1 1 1 12  8  44 o 16.51493 6.603811 8.287313       16.15526 1.820869       22.49806 15.17107       23.21267 17.25394 7.410479 20.26093 7.975122 -3.006987      10.88659 
1 1 1 12  8  45 o 40.45571 4.808364 84.03311       18.66866 95.11974       26.45102 73.02915       26.35222 42.25661 6.611592 36.44207 7.632627 5.814545       10.09803 
1 1 1 12  8  46 o 69.34834 3.577474 240.9029       24.20184 280.5882       34.39523 201.9865       34.06036 74.21553 4.759844 62.42384 5.634935 11.79169       7.376219 
1 1 1 12  8  47 o 27.75713 6.561794 41.94527       17.54490 37.29387       24.42970 46.89988       25.21334 26.01713 8.413406 28.80269 8.416655 -2.785563      11.90065 
1 1 1 12  8  48 o 15.51315 6.527394 3.793156       16.84786 -5.815121      24.00921 13.11438       23.64785 16.29686 7.299742 19.67332 7.946816 -3.376459      10.79065 
1 1 1 12  8  49 o 31.35362 6.142892 53.03438       18.17783 44.10937       25.33685 62.50119       26.09456 27.79795 8.512605 33.11280 8.115239 -5.314856      11.76102 
1 1 1 12  8  50 o 52.99703 4.119169 143.1081       21.20049 145.8003       29.47534 140.2224       30.51578 52.48607 5.835871 51.21139 6.214717 1.274685       8.525263 
1 1 1 12  8  51 o 78.01524 3.884495 308.3591       29.57005 305.6463       37.37310 312.9000       48.35328 76.82525 4.997030 76.27708 6.539318 0.5481720      8.230005 
1 1 1 12  8  52 f 20.94100 7.240393 22.90005       18.05366 16.33434       25.52908 29.46850       25.53440 20.56341 8.274330 23.60175 8.566188 -3.038343      11.90983 
1 1 1 12  8  53 f 24.68911 8.294797 34.25383       23.66701 26.25619       26.69692 63.61000       51.14816 22.90344 8.673984 31.52740 11.99075 -8.623960      14.79919 
1 1 1 12  8  54 o 16.70655 6.857075 7.982840       17.94609 -2.585560      25.96395 17.65063       24.83302 17.19439 7.653800 20.62466 8.207283 -3.430269      11.22231 
1 1 1 12  8  55 o 42.11069 5.132525 93.25074       20.71928 102.8876       29.78382 84.21383       28.84186 42.79488 7.376497 38.22312 7.967502 4.571762       10.85789 
1 1 1 12  8  56 o 33.29356 6.934005 62.15063       21.86203 49.23000       35.29624 70.19280       27.84667 28.44713 10.10204 34.52106 8.336047 -6.073931      13.09736 
1 1 1 12  8  57 o 20.95713 7.719434 22.47777       20.85133 -10.48000      34.29900 41.79879       26.26138 18.28874 8.399012 26.52360 8.732778 -8.234856      12.11630 
1 1 1 12  8  58 f 63.62832 4.932555 212.4236       30.48078 126.3000       57.34236 246.3419       35.98581 40.75655 12.85923 68.05080 5.447932 -27.29425      13.96567 
1 1 1 12  9  0  o 189.6981 4.012657 1762.603       74.50771 1769.230       106.5961 1756.273       104.1848 189.8874 5.741670 189.1993 5.631998 0.6880646      8.042771 
1 1 1 12  9  1  o 345.4710 9.379272 5871.520       316.8728 5860.000       448.5024 5883.000       447.7501 344.2250 13.33640 344.9141 13.28714 -0.6890259     18.82572 
1 1 1 12  9  2  o 290.2192 8.021935 4138.983       227.6642 4018.000       316.9145 4268.000       327.2666 285.3575 11.36885 294.1101 11.38957 -8.752533      16.09264 
1 1 1 12  9  3  o 231.0499 6.604406 2620.808       149.2107 2695.000       215.9249 2553.000       206.4269 233.9242 9.449659 227.6934 9.281561 6.230804       13.24551 
1 1 1 12  9  4  o 80.38575 2.959747 316.8305       23.24865 297.2209       35.23635 331.9482       30.93844 77.74551 4.651573 82.23331 3.854380 -4.487793      6.040974 
1 1 1 12  9  5  f 121.1931 3.123355 719.7068       37.02059 698.8301       53.63280 738.7062       51.16442 119.3358 4.600104 122.7203 4.265858 -3.384521      6.273635 
1 1 1 12  9  6  o 136.0145 3.282393 905.9793       43.70007 842.3616       61.67133 970.1359       61.93195 131.0168 4.817150 140.6374 4.504725 -9.620621      6.595262 
1 1 1 12  9  7  o 165.8100 3.666451 1346.644       59.50627 1251.152       82.44002 1450.515       85.98077 159.6658 5.282239 171.9438 5.114364 -12.27791      7.352467 
1 1 1 12  9  8  o 110.3791 3.023974 597.0768       32.64087 594.7919       48.28614 598.9996       44.29411 110.0788 4.490819 110.4949 4.102534 -0.4161530     6.082618 
1 1 1 12  9  9  o 181.4533 3.891665 1613.070       69.12046 1601.052       98.68118 1624.646       96.84682 180.5915 5.589255 181.9328 5.444489 -1.341232      7.802707 
1 1 1 12  9  10 o 56.16513 3.189572 154.9971       17.46291 160.9716       29.13748 151.6481       21.81491 57.05101 5.277543 55.48533 4.044471 1.565678       6.649076 
1 1 1 12  9  11 o 215.4904 4.421972 2276.047       93.27177 2236.326       131.6892 2316.031       132.1243 213.3440 6.313080 217.1278 6.223137 -3.783783      8.864672 
1 1 1 12  9  12 o 181.5944 4.556815 1617.621       80.93324 1665.887       101.4213 1533.000       134.2910 184.1751 5.632524 176.3837 7.797533 7.791412       9.619087 
1 1 1 12  9  13 o 82.19679 3.437931 331.5690       27.59932 266.1000       56.73405 351.8655       31.58907 73.10175 8.062613 84.65318 3.822161 -11.55144      8.922705 
1 1 1 12  9  14 o 231.6950 4.696094 2632.415       106.5025 2644.436       152.1700 2620.872       149.1110 231.8929 6.711082 230.8739 6.605037 1.018997       9.416216 
1 1 1 12  9  15 o 168.9470 3.753736 1398.799       62.07555 1397.574       89.30420 1399.944       86.34665 168.6656 5.416299 168.8301 5.231350 -0.1645203     7.530160 
1 1 1 12  9  16 o 163.3376 3.693057 1307.498       59.04436 1280.565       84.05698 1333.731       82.95656 161.4406 5.326597 164.7822 5.149531 -3.341614      7.408799 
1 1 1 12  9  17 o 110.3951 3.455691 597.7889       37.29545 567.1000       62.68901 614.6015       46.40014 107.2754 5.993984 111.8755 4.244893 -4.600082      7.344860 
1 1 1 12  9  18 o 114.1602 3.526905 639.3166       39.36349 587.8000       64.47079 669.9358       49.70340 109.2044 6.055087 116.7948 4.355298 -7.590408      7.458733 
1 1 1 12  9  19 o 180.3327 3.959669 1594.458       69.89394 1604.802       100.2380 1584.670       97.50837 180.6560 5.675617 179.5359 5.555297 1.120132       7.941911 
1 1 1 12  9  20 o 244.6555 4.921334 2938.041       117.8539 2932.000       232.5025 2940.130       136.7201 243.1655 9.788317 244.6187 5.710004 -1.453217      11.33205 
1 1 1 12  9  21 o 44.36666 4.602245 97.62576       19.69633 120.5000       28.79138 77.50333       27.00408 49.12919 6.119385 39.03623 7.336607 10.09296       9.553674 
1 1 1 12  9  22 o 147.3836 4.015797 1066.234       57.87916 1049.000       95.72125 1076.167       72.66860 145.7998 6.725378 147.9465 5.025357 -2.146683      8.395530 
1 1 1 12  9  23 o 114.2726 3.096785 640.4669       34.60658 648.8000       66.06976 637.3163       40.62528 114.6910 5.905164 113.9434 3.647210 0.7475510      6.940685 
1 1 1 12  9  24 o 112.6489 3.121386 622.4871       34.38445 711.2000       68.31733 592.3909       39.79181 120.0862 5.829498 109.8373 3.706468 10.24888       6.908035 
1 1 1 12  9  25 o 162.9534 5.174613 1307.046       82.43217 1260.000       110.9553 1365.000       123.1492 159.5824 7.121186 165.9882 7.599798 -6.405823      10.41481 
1 1 1 12  9  26 o 295.4817 5.806530 4301.300       167.9397 4636.000       349.3083 4200.675       191.5278 303.4618 11.78216 291.6845 6.708299 11.77728       13.55804 
1 1 1 12  9  27 o 67.26814 3.026803 222.3559       19.87860 229.5000       34.22128 218.7176       24.42130 68.08384 5.173802 66.64110 3.759109 1.442741       6.395242 
1 1 1 12  9  28 o 106.5808 3.074961 557.7569       32.04575 532.8000       57.33355 569.0961       38.64606 103.7609 5.666573 107.5853 3.675227 -3.824417      6.754061 
1 1 1 12  9  29 o 140.1531 3.409754 964.6240       46.77694 1055.000       92.63213 933.6899       54.19432 145.7795 6.508113 137.7379 4.024019 8.041656       7.651683 
1 1 1 12  9  30 o 92.96872 3.391450 425.2334       30.81059 400.4000       47.59978 443.1408       40.42066 89.83666 5.438562 94.74706 4.370215 -4.910400      6.976871 
1 1 1 12  9  31 o 59.49170 3.187860 174.4072       18.49580 171.2682       24.41053 178.6387       28.34145 58.79229 4.270928 59.94200 4.872398 -1.149712      6.479282 
1 1 1 12  9  32 o 71.33839 3.061454 250.5850       21.32776 271.9476       29.00506 225.4381       31.46945 74.16621 4.010328 67.35165 4.805037 6.814560       6.258683 
1 1 1 12  9  33 o 136.5247 3.389506 917.5641       45.29536 935.7506       63.20171 898.3583       64.94862 137.4227 4.705496 134.5615 4.939473 2.861206       6.822030 
1 1 1 12  9  34 o 68.66454 3.166460 232.5939       21.22472 239.0136       28.27836 224.3115       32.11983 69.40528 4.181912 67.04958 4.928517 2.355705       6.463642 
1 1 1 12  9  35 o 79.34708 3.139859 310.5743       24.33823 297.1235       31.99536 329.0453       37.49378 77.35530 4.241858 81.27644 4.733385 -3.921135      6.355965 
1 1 1 12  9  36 o 45.82778 4.650233 105.3772       20.57128 104.0126       23.05798 110.7000       45.53886 45.36408 5.292103 45.01622 10.52438 0.3478661      11.78002 
1 1 1 12  9  37 o 19.23095 6.899092 16.24816       16.50420 7.793538       19.59064 36.92000       30.63311 17.84822 7.224606 27.40271 9.433256 -9.554489      11.88197 
1 1 1 12  9  38 o 115.0684 3.793166 656.3851       42.66483 647.9000       67.86703 661.9297       54.86127 113.1563 6.150489 115.0751 4.881643 -1.918816      7.852322 
1 1 1 12  9  39 o 39.05904 6.327549 79.10264       23.36459 78.38000       26.77451 81.41000       47.84310 38.52078 7.369429 38.08504 11.70405 0.4357338      13.83088 
1 1 1 12  9  40 o 18.89429 7.440207 11.69073       20.21044 7.690000       22.65139 27.31000       44.75646 18.73222 7.697769 27.45553 10.98729 -8.723309      13.41552 
1 1 1 12  9  41 o 32.98702 5.454753 56.30906       16.99761 42.99778       22.29300 74.79360       26.27017 28.23574 7.805389 37.39910 7.438106 -9.163364      10.78191 
1 1 1 12  9  42 o 35.70280 6.677933 67.65525       22.47960 72.41000       44.59913 66.03588       26.02764 35.40528 11.36040 34.81772 7.827834 0.5875549      13.79615 
1 1 1 12  9  43 o 93.91551 3.974132 442.0391       36.45047 475.2000       65.95798 427.4588       43.73571 94.95463 7.149015 91.80373 4.884676 3.150894       8.658434 
1 1 1 12  9  44 o 57.70431 3.854126 167.2749       21.64429 160.6078       29.37461 175.1945       32.01483 55.83128 5.444201 58.19860 5.692667 -2.367317      7.876915 
1 1 1 12  9  45 o 84.76718 3.396101 358.6624       28.12124 378.5168       39.19714 337.6046       40.36757 86.35468 4.654469 81.24872 5.101614 5.105965       6.905835 
1 1 1 12  9  46 o 24.30042 6.827463 32.11018       16.90783 21.93846       23.45180 43.12003       24.39886 21.80965 8.157605 27.76528 8.322555 -5.955627      11.65382 
1 1 1 12  9  47 o 15.85880 6.564044 5.516371       16.62938 -4.306219      22.96802 16.33856       24.10839 16.19736 7.205025 20.52661 8.112707 -4.329247      10.85027 
1 1 1 12  9  48 o 30.82442 6.091406 51.16213       17.72697 56.75790       24.52300 45.03795       25.65471 31.65612 7.931426 28.09558 8.558474 3.560534       11.66855 
1 1 1 12  9  49 f 17.22914 6.787940 10.87133       16.82969 -0.4950924E-01 22.96475 23.54105       24.73531 16.82096 7.353633 22.18781 8.361192 -5.366850      11.13488 
1 1 1 12  9  50 o 44.97501 4.899355 105.0529       21.22006 95.42638       27.00195 120.6000       34.31503 41.74429 6.845394 46.29980 7.852061 -4.555515      10.41702 
1 1 1 12  9  51 o 42.47771 4.841227 93.83923       19.77016 70.15997       26.88011 121.7433       29.17969 34.91156 8.033078 47.44369 6.450324 -12.53213      10.30228 
1 1 1 12  9  52 o 29.85039 7.805172 51.27686       23.05889 30.54914       25.55243 142.2000       53.51723 23.82845 8.579936 46.41372 11.76596 -22.58527      14.56204 
1 1 1 12  9  53 o 18.24470 7.018980 14.23381       17.65913 2.686934       25.11741 25.52030       24.83260 17.79779 7.736952 22.45418 8.395207 -4.656395      11.41665 
1 1 1 12  9  54 o 15.19558 6.560835 1.444184       17.81395 -1.206222      25.72059 3.887653       24.69608 17.32392 7.669712 17.87014 7.720287 -0.5462227     10.88243 
1 1 1 12  9  55 o 20.63416 7.284182 22.18278       18.32873 28.14706       26.53669 16.74182       25.34577 23.19711 8.677363 20.45675 8.239953 2.740358       11.96635 
1 1 1 12  9  56 o 26.26303 7.234013 39.35490       19.18723 53.12320       28.53265 27.98890       25.92420 29.62067 9.026301 23.06743 8.586987 6.553236       12.45835 
1 1 1 12  9  57 o 17.32252 7.221267 8.207294       20.33085 39.97000       34.34387 -8.928732      25.22583 26.17524 9.854736 15.89735 7.264021 10.27790       12.24262 
1 1 1 12  9  58 o 54.03831 4.919289 153.6721       25.73524 156.8000       43.44737 151.9815       31.94170 50.67410 9.093465 52.57359 6.334535 -1.899494      11.08230 
1 1 1 12  10 0  o 129.3096 3.205173 818.8199       40.56844 815.3721       58.74063 821.9642       56.09560 128.9115 4.662908 129.4478 4.433731 -0.5363007     6.434336 
1 1 1 12  10 1  o 190.2749 5.684914 1776.718       105.7607 1723.000       148.5065 1832.000       150.6530 187.1068 8.128064 192.9623 7.993562 -5.855560      11.40011 
1 1 1 12  10 2  o 144.3521 4.775327 1022.265       67.38049 966.7000       94.79745 1079.000       95.79111 140.1796 6.930336 148.1483 6.622492 -7.968781      9.585769 
1 1 1 12  10 3  o 169.7149 3.726467 1410.813       61.90466 1379.599       87.91237 1441.513       87.18500 167.6685 5.363537 171.4067 5.202483 -3.738205      7.472172 
1 1 1 12  10 4  o 499.4082 9.388763 12271.33       458.9551 12691.83       665.9635 11890.96       633.3827 506.3130 13.44962 490.1652 13.21338 16.14783       18.85432 
1 1 1 12  10 5  o 219.0413 4.474006 2351.094       95.92432 2263.448       133.7458 2443.937       137.6536 214.6883 6.371567 223.0982 6.309887 -8.409897      8.967248 
1 1 1 12  10 6  o 285.8849 5.583071 4008.085       156.2322 3918.136       218.5670 4102.059       223.4038 282.2609 7.918758 288.8163 7.909913 -6.555420      11.19256 
1 1 1 12  10 7  o 105.0346 3.038638 540.7241       31.20764 495.2662       45.70020 580.4447       42.71901 100.4144 4.662331 108.7700 4.019327 -8.355621      6.155674 
1 1 1 12  10 8  o 170.1110 3.736029 1417.661       62.20838 1423.490       89.92037 1412.311       86.15241 170.2831 5.401693 169.6321 5.194758 0.6510468      7.494251 
1 1 1 12  10 9  o 186.9534 3.982917 1712.608       72.88544 1691.288       103.9766 1733.205       102.1976 185.5805 5.730831 187.8866 5.563105 -2.306076      7.986900 
1 1 1 12  10 10 o 147.2770 3.441211 1062.551       49.60809 1008.725       70.25467 1116.078       70.05861 143.3362 5.015137 150.8030 4.752122 -7.466858      6.908998 
1 1 1 12  10 11 f 184.3434 4.604619 1666.033       83.08595 1683.890       103.1262 1633.000       140.2622 185.1568 5.696920 182.0338 7.890695 3.123062       9.732315 
1 1 1 12  10 12 o 86.46784 3.397062 366.8435       28.69581 397.0000       60.37597 358.0434       32.61510 89.61654 6.936841 85.38716 3.912693 4.229378       7.964228 
1 1 1 12  10 13 o 384.2939 7.325853 7262.458       275.5674 7360.738       394.1690 7168.502       385.4012 385.7965 10.44763 380.7583 10.35048 5.038147       14.70665 
1 1 1 12  10 14 o 229.3466 4.670646 2579.668       104.8517 2578.354       149.6806 2580.934       146.9232 228.9426 6.686491 229.0791 6.559128 -0.1365509     9.366501 
1 1 1 12  10 15 o 213.2585 4.416083 2230.179       92.18276 2250.918       132.6101 2210.788       128.2323 213.9330 6.339749 212.0407 6.184951 1.892227       8.856977 
1 1 1 12  10 16 o 86.94493 3.345030 370.9529       28.41448 305.6000       48.06652 406.0591       35.22911 78.60648 6.299794 90.92515 3.967879 -12.31867      7.445231 
1 1 1 12  10 17 o 222.7325 5.237027 2435.338       114.1759 2342.000       192.2056 2486.234       141.9318 217.5885 9.044232 224.7797 6.457533 -7.191223      11.11296 
1 1 1 12  10 18 o 291.8752 5.732865 4185.189       163.7854 4223.611       233.8555 4148.197       229.4620 292.5297 8.175180 289.9286 8.093541 2.601135       11.50387 
1 1 1 12  10 19 o 209.2930 4.349660 2148.701       89.10790 2079.000       172.3038 2174.148       104.1112 205.0157 8.605349 210.4448 5.054209 -5.429108      9.979833 
1 1 1 12  10 20 o 106.6160 3.589854 557.8477       37.40982 533.3000       60.35848 573.1595       47.67012 103.9870 5.954874 107.9852 4.519987 -3.998184      7.476015 
1 1 1 12  10 21 o 133.2608 3.805291 871.5219       49.58512 854.0000       82.37177 881.4795       62.09623 131.5786 6.415016 133.9187 4.744655 -2.340088      7.978983 
1 1 1 12  10 22 o 118.7195 3.134402 691.2627       36.39173 692.2000       70.07649 690.9165       42.58419 118.4563 6.063948 118.6429 3.671330 -0.1865463     7.088732 
1 1 1 12  10 23 o 229.4613 4.675898 2585.599       105.0221 2429.000       199.0954 2645.972       123.6198 221.1470 9.217795 231.9859 5.444029 -10.83884      10.70538 
1 1 1 12  10 24 o 125.0560 3.228025 767.2693       39.48066 804.4000       76.25632 753.6714       46.14704 127.6498 6.120920 123.8824 3.810172 3.767418       7.209929 
1 1 1 12  10 25 o 105.2099 3.066308 543.1588       31.54387 589.2000       59.70967 525.3348       37.15128 109.2574 5.601959 103.4080 3.676248 5.849388       6.700503 
1 1 1 12  10 26 o 70.76054 3.038596 245.9806       20.99699 305.6000       38.43196 220.6129       25.06917 78.65367 5.018088 66.92567 3.843004 11.72800       6.320592 
1 1 1 12  10 27 o 91.70438 2.989951 412.9079       26.80276 450.2000       49.57542 397.5053       31.86064 95.43728 5.328066 89.90696 3.627836 5.530319       6.445889 
1 1 1 12  10 28 o 99.54434 3.042065 486.6627       29.60611 492.4000       53.43728 484.1217       35.56317 99.73907 5.494829 99.20521 3.668669 0.5338593      6.606987 
1 1 1 12  10 29 o 107.5091 3.101860 567.8883       32.60764 546.8000       58.28543 577.4954       39.34007 105.0066 5.691985 108.3241 3.715758 -3.317451      6.797467 
1 1 1 12  10 30 o 122.6207 3.239049 739.2611       38.84249 717.7000       70.84502 748.5282       46.44572 120.1361 6.044034 123.2704 3.854025 -3.134346      7.168253 
1 1 1 12  10 31 o 31.24994 4.779413 49.33358       14.15555 49.64127       17.91992 48.82294       23.08499 31.08440 6.107562 30.61416 7.709431 0.4702377      9.835528 
1 1 1 12  10 32 o 47.09758 3.602687 109.8668       16.48247 126.7095       21.77266 87.25709       25.22628 50.45046 4.454721 41.35131 6.442250 9.099152       7.832441 
1 1 1 12  10 33 o 74.02329 3.092990 270.0416       22.36120 273.3259       29.95285 265.9066       33.60903 74.27155 4.136456 73.11757 4.721237 1.153984       6.276969 
1 1 1 12  10 34 o 35.15784 4.538503 62.24434       15.25455 58.18053       19.49194 68.66712       24.50475 33.59071 6.155046 36.29936 7.151251 -2.708652      9.435305 
1 1 1 12  10 35 o 18.51071 6.379925 15.81391       14.01339 -2.519827      17.68058 46.79013       22.98186 14.86962 6.477310 29.76892 7.796152 -14.89930      10.13585 
1 1 1 12  10 36 o 81.12360 3.470695 325.5445       27.49572 318.6031       33.23524 340.6000       48.94644 80.03804 4.257566 82.07225 6.137263 -2.034210      7.469463 
1 1 1 12  10 37 o 15.53464 6.513090 2.688211       16.68093 13.90723       18.12501 -59.42000      42.64571 18.95210 7.153895 17.40854 8.392421 1.543562       11.02774 
1 1 1 12  10 38 o 65.72822 3.915337 214.9341       25.07579 209.9408       27.98145 235.3000       56.51061 64.80776 4.437781 66.66363 8.881077 -1.855865      9.928113 
1 1 1 12  10 39 o 40.26881 5.361310 82.78906       20.60769 75.09172       22.50281 122.8000       51.30452 38.03681 6.261731 46.53942 11.36275 -8.502613      12.97387 
1 1 1 12  10 40 o 101.6855 3.694339 513.8385       36.70960 512.2000       57.71048 514.9521       47.57551 100.3556 5.901028 101.2636 4.813589 -0.9079895     7.615298 
1 1 1 12  10 41 o 42.38806 4.755479 91.28766       19.39094 59.10000       27.56753 122.8087       27.28058 32.78391 8.515430 48.83239 5.821943 -16.04848      10.31540 
1 1 1 12  10 42 o 19.05420 6.806018 16.77811       16.04350 14.23478       21.83923 19.75973       23.64622 19.77912 7.750558 21.54941 8.162863 -1.770290      11.25626 
1 1 1 12  10 43 o 47.17704 5.381778 114.7601       24.40810 167.6000       46.54039 94.71264       28.66681 54.93665 8.963691 41.95589 7.242062 12.98076       11.52368 
1 1 1 12  10 44 o 35.59124 6.883204 68.33460       23.11214 107.4000       45.68115 54.89415       26.79464 42.31550 10.94678 31.22292 8.528094 11.09258       13.87661 
1 1 1 12  10 45 o 50.63966 4.234996 129.9885       20.79976 141.4367       28.84454 117.5871       30.02133 52.10689 5.750946 46.94851 6.724626 5.158382       8.848389 
1 1 1 12  10 46 o 57.67185 3.924831 167.7572       22.02397 163.9895       30.43000 171.9020       31.91631 56.16553 5.610086 57.42916 5.755189 -1.263634      8.037119 
1 1 1 12  10 47 o 22.24430 7.215079 26.34414       17.95816 39.35179       25.09766 12.69761       25.70663 26.54418 8.522594 20.10660 8.224508 6.437588       11.84387 
1 1 1 12  10 48 o 56.91050 3.998597 164.0510       22.13265 144.1433       30.11926 187.4191       32.63213 52.24223 5.998728 59.88694 5.632967 -7.644711      8.228916 
1 1 1 12  10 49 o 33.96569 6.478623 62.85219       20.75341 27.29879       26.31067 121.4000       33.76343 23.27102 8.653070 46.69367 7.652062 -23.42266      11.55118 
1 1 1 12  10 50 o 39.28765 5.302111 81.24838       19.86972 77.10555       27.68517 85.64918       28.53410 36.75756 7.928052 38.90189 7.765703 -2.144337      11.09775 
1 1 1 12  10 51 o 26.05632 8.243976 38.85142       23.55286 35.64792       26.23104 52.18000       53.50509 25.22194 8.727111 29.91933 11.99960 -4.697395      14.83755 
1 1 1 12  10 52 o 58.65563 4.058528 175.4137       23.15785 177.5011       32.74397 173.3247       32.75633 57.77562 5.871497 57.02185 5.956530 0.7537766      8.363894 
1 1 1 12  10 53 o 30.78271 6.642929 52.62170       19.42787 50.52660       28.66952 54.40075       26.41862 29.04868 9.082444 30.32002 8.539866 -1.271339      12.46676 
1 1 1 12  10 54 o 29.37514 6.906284 48.47034       19.52122 60.50810       29.13821 38.66746       26.29461 31.70010 8.982511 25.89885 8.743297 5.801249       12.53518 
1 1 1 12  10 55 o 22.50184 7.821732 27.56824       21.08180 46.15000       38.31789 19.50184       25.24631 27.83760 10.42430 21.01799 8.303512 6.819613       13.32720 
1 1 1 12  10 56 o 27.49183 7.836158 44.14610       22.11021 39.61000       39.10720 46.27728       26.80564 26.51135 10.37657 27.77369 8.795778 -1.262331      13.60290 
1 1 1 12  10 57 o 44.34413 5.214477 104.3102       22.20149 110.3766       33.08953 99.34315       29.94128 43.45454 8.076676 41.52562 7.648000 1.928925       11.12316 
1 1 1 12  10 58 o 41.87149 6.043840 96.00292       24.05456 84.83904       33.42243 108.0000       34.64720 36.72563 9.291773 42.23537 8.671435 -5.509735      12.70948 
1 1 1 12  11 0  f 271.6069 6.167995 3619.177       163.9801 3342.000       270.6520 3779.933       206.1182 260.1633 10.65070 277.2966 7.601081 -17.13333      13.08487 
1 1 1 12  11 1  f 166.9037 5.207965 1367.048       84.97836 1326.000       120.2482 1408.000       120.1070 164.1353 7.504484 169.1732 7.270186 -5.037857      10.44858 
1 1 1 12  11 2  o 197.8920 4.143495 1918.746       80.26036 1878.905       113.5029 1958.590       113.5077 195.6226 5.934501 199.7444 5.811745 -4.121765      8.306304 
1 1 1 12  11 3  o 329.1285 6.338697 5315.730       204.2075 5368.035       291.8557 5265.564       285.8248 330.1691 9.039292 327.0227 8.937648 3.146423       12.71182 
1 1 1 12  11 4  o 185.3291 3.958857 1682.776       71.81576 1583.390       99.68995 1789.999       103.5454 179.5828 5.678408 190.9646 5.545387 -11.38177      7.936979 
1 1 1 12  11 5  o 225.3444 4.580400 2488.903       101.0314 2429.230       142.1453 2549.826       143.6262 222.3622 6.537886 227.8313 6.446898 -5.469131      9.181855 
1 1 1 12  11 6  o 74.43037 3.023171 271.7561       21.97933 262.6462       34.99149 277.6927       28.24723 73.02745 4.923981 75.18709 3.851018 -2.159637      6.251074 
1 1 1 12  11 7  o 257.4950 5.114016 3251.397       128.8953 3250.267       183.5249 3252.498       181.0707 257.0853 7.300483 257.1905 7.199704 -0.1051941     10.25343 
1 1 1 12  11 8  o 175.2623 3.831764 1505.059       65.73453 1397.874       91.18897 1621.009       94.84404 168.7114 5.529409 181.7120 5.338155 -13.00064      7.685719 
1 1 1 12  11 9  o 249.0333 5.766448 3043.429       140.5634 3064.064       173.4890 3004.000       239.8148 249.6017 7.108219 246.5615 9.957233 3.040131       12.23410 
1 1 1 12  11 10 o 140.7770 3.886743 971.8981       53.50666 904.7000       95.62267 1002.529       64.56001 135.4721 7.237423 142.9207 4.620974 -7.448608      8.586833 
1 1 1 12  11 11 o 299.0995 5.830200 4391.338       170.6889 4250.129       237.2994 4542.723       245.7010 293.6986 8.262670 303.6446 8.274470 -9.946045      11.69353 
1 1 1 12  11 12 o 151.5828 3.519207 1125.823       52.21569 1122.039       75.91056 1129.222       71.93779 151.1440 5.138509 151.6567 4.852310 -0.5127106     7.067474 
1 1 1 12  11 13 o 198.5293 4.185527 1932.266       81.33567 1903.892       115.7005 1959.989       114.3631 196.7969 6.013410 199.7004 5.856936 -2.903442      8.394330 
1 1 1 12  11 14 o 52.24929 3.489823 134.3693       17.74570 115.7673       31.37795 143.1169       21.51733 48.04264 6.867724 53.87415 4.111448 -5.831505      8.004351 
1 1 1 12  11 15 o 189.5298 4.618746 1762.066       85.68559 1723.000       147.0765 1782.138       105.4248 186.8117 8.062256 190.4138 5.662666 -3.602127      9.852195 
1 1 1 12  11 16 o 108.1074 3.469891 573.3427       36.67031 530.8000       63.76649 594.3638       44.82359 103.7233 6.310588 110.0166 4.169932 -6.293289      7.563852 
1 1 1 12  11 17 o 238.1881 4.837375 2784.151       112.7810 2712.208       158.2454 2858.415       160.7776 234.6634 6.896853 240.9263 6.824530 -6.262939      9.702618 
1 1 1 12  11 18 o 129.1092 3.269164 817.3881       41.28104 732.2000       77.49651 851.1364       48.77738 121.8295 6.522428 131.7064 3.787536 -9.876854      7.542380 
1 1 1 12  11 19 o 35.16545 5.828043 62.37948       19.35863 73.31000       32.51793 56.37900       24.09327 37.76699 8.936619 33.16796 7.586312 4.599033       11.72243 
1 1 1 12  11 20 o 79.70026 3.657110 312.0896       28.45411 375.8000       48.55709 278.7711       35.11481 87.25240 5.716998 75.20516 4.795176 12.04723       7.461754 
1 1 1 12  11 21 o 262.4980 5.219341 3385.545       134.1059 3464.000       269.4954 3359.723       154.6075 263.7756 10.45857 261.3210 6.044355 2.454651       12.07957 
1 1 1 12  11 22 o 71.98655 3.050147 254.4339       21.44337 300.5000       41.78508 237.9649       24.98413 77.98473 5.509472 69.56049 3.682523 8.424232       6.626859 
1 1 1 12  11 23 o 60.27214 3.279788 178.6344       19.27654 195.6000       35.73840 171.6735       22.89203 62.76711 5.885626 59.01449 3.986349 3.752625       7.108557 
1 1 1 12  11 24 o 185.5876 4.592680 1692.230       83.42982 1697.000       141.9725 1689.714       103.1122 184.9990 7.858125 185.1709 5.695709 -0.1719666     9.705216 
1 1 1 12  11 25 o 269.1100 5.350834 3565.116       140.9475 3856.000       293.1698 3477.668       160.7437 277.1906 10.82606 265.5293 6.184655 11.66132       12.46810 
1 1 1 12  11 26 o 102.6910 3.042195 517.6638       30.54545 632.6000       60.37308 478.1200       35.41232 113.1716 5.466205 98.61776 3.674966 14.55382       6.586712 
1 1 1 12  11 27 o 103.8428 3.056789 529.5201       31.03666 525.4000       56.10284 531.3371       37.25703 103.0365 5.583583 103.9448 3.667587 -0.9082794     6.680389 
1 1 1 12  11 28 o 93.92763 3.016486 433.4150       27.69729 433.5000       49.49607 433.3763       33.41966 93.54388 5.428994 93.84209 3.645229 -0.2982178     6.539240 
1 1 1 12  11 29 o 78.01248 3.040603 299.2714       23.17382 332.8000       41.32121 283.8873       27.98984 81.91765 5.179872 75.87836 3.780473 6.039284       6.412725 
1 1 1 12  11 30 o 42.84646 3.853078 91.10310       15.98713 122.5000       25.86300 71.68729       20.33823 49.44893 5.432750 37.61834 5.701929 11.83059       7.875707 
1 1 1 12  11 31 o 161.1239 3.679592 1278.513       58.03180 1360.142       83.20708 1201.201       80.97704 165.6228 5.138776 155.5604 5.325959 10.06245       7.400868 
1 1 1 12  11 32 o 57.55830 3.313246 163.5899       18.58784 163.6496       24.09059 163.5021       29.22013 57.39187 4.320068 57.15612 5.282668 0.2357483      6.824190 
1 1 1 12  11 33 o 152.3878 3.592430 1145.218       53.58518 1216.710       76.40991 1076.032       75.16716 156.4422 4.996280 147.0000 5.232362 9.442200       7.234669 
1 1 1 12  11 34 o 88.56594 3.090084 386.7419       26.74714 380.8948       35.62187 394.2992       40.49787 87.62991 4.164884 89.01251 4.664370 -1.382599      6.253208 
1 1 1 12  11 35 o 104.1332 3.525169 535.9871       35.87970 528.0970       43.29024 553.3000       64.12597 103.1162 4.298433 104.6944 6.286509 -1.578156      7.615558 
1 1 1 12  11 36 o 8.404764 4.177048 -32.55352      13.33503 -36.19273      17.01353 -26.75673      21.47259 9.922410 4.892467 12.89668 6.146785 -2.974272      7.856156 
1 1 1 12  11 37 o 66.90948 3.924423 222.6218       25.58932 236.3916       29.24946 177.7000       52.83038 68.82790 4.364045 57.43110 9.745916 11.39680       10.67838 
1 1 1 12  11 38 o 96.45692 3.782160 461.8915       35.63993 472.9040       41.16063 428.9000       71.24261 97.38923 4.328639 90.66753 8.113184 6.721703       9.195699 
1 1 1 12  11 39 o 20.00946 6.769693 19.35487       15.76378 37.82220       20.39426 -8.054156      24.84578 26.67909 7.499350 16.65451 7.445360 10.02458       10.56757 
1 1 1 12  11 40 o 30.95708 5.661978 49.91452       16.52469 35.03489       20.96863 74.30031       26.84369 25.69569 7.718390 37.20790 7.626971 -11.51221      10.85100 
1 1 1 12  11 41 o 45.44481 4.681643 104.8160       20.52754 89.80000       29.80129 118.3727       28.31626 40.79777 7.745849 47.71201 6.210445 -6.914242      9.928132 
1 1 1 12  11 42 o 28.12578 6.788322 42.72205       18.47338 16.84000       26.54856 67.01697       25.72168 21.46132 8.503496 34.98793 7.718100 -13.52660      11.48384 
1 1 1 12  11 43 o 28.58373 6.885579 44.36513       19.03489 56.44000       27.90771 33.86115       26.02915 31.64589 8.727408 25.38144 8.696987 6.264448       12.32093 
1 1 1 12  11 44 o 42.12452 4.658811 90.81335       18.88887 90.39526       25.50182 91.32151       28.11472 41.19172 6.543498 41.03676 7.265132 0.1549568      9.777500 
1 1 1 12  11 45 o 116.6500 4.056308 684.9066       46.24453 723.3000       81.94666 666.9664       56.01643 116.4581 7.224353 114.2745 5.020201 2.183647       8.797368 
1 1 1 12  11 46 o 14.74169 6.644522 -7.132258      20.24196 -21.73000      39.02928 -1.760929      23.67492 18.89678 8.777076 16.87364 7.418880 2.023146       11.49247 
1 1 1 12  11 47 o 27.71208 6.644052 42.10668       17.78844 53.62095       24.76838 29.84102       25.56377 30.70754 8.118218 23.96797 8.587774 6.739574       11.81759 
1 1 1 12  11 48 o 35.19493 6.146705 66.53300       20.40511 82.88714       26.38358 42.19000       32.18897 38.77644 7.216710 27.38395 9.654343 11.39249       12.05352 
1 1 1 12  11 49 o 39.65991 5.235135 82.57835       19.82707 85.07864       26.88811 79.59860       29.35321 39.09782 7.294126 37.15901 8.281924 1.938816       11.03606 
1 1 1 12  11 50 o 19.73166 7.796494 15.80747       22.26037 21.51700       24.65326 -9.395000      51.79591 21.52964 8.290537 22.42150 10.30590 -0.8918629     13.22666 
1 1 1 12  11 51 o 21.43921 7.324232 24.38540       18.45753 34.61850       25.73075 13.53812       26.49167 24.92068 8.642421 20.18583 8.313046 4.734840       11.99159 
1 1 1 12  11 52 o 17.07043 6.953086 9.049931       18.27840 8.511705       26.47555 9.540100       25.26597 19.18745 8.133364 19.07596 8.007955 0.1114883      11.41398 
1 1 1 12  11 53 o 31.90658 6.327351 55.88850       19.06281 83.82404       28.04078 31.88367       25.99326 38.33252 7.740304 24.13093 8.658006 14.20158       11.61350 
1 1 1 12  11 54 o 27.46611 7.111906 42.78893       19.26930 28.99439       28.60440 54.24994       26.07298 23.65080 8.973568 30.25688 8.470234 -6.606079      12.33976 
1 1 1 12  11 55 o 35.84145 5.959237 69.62283       20.17272 91.71680       30.37623 52.19108       26.98159 39.77188 8.078804 29.49539 8.730420 10.27649       11.89484 
1 1 1 12  11 56 o 13.23541 6.119401 -11.13978      18.64783 -41.93748      27.84112 13.91865       25.11334 13.35771 6.518010 19.71075 8.103176 -6.353042      10.39932 
1 1 1 12  11 57 o 30.32652 7.108381 52.87929       20.73109 90.33257       31.69686 24.88096       27.40549 38.69792 8.591967 22.26203 8.694322 16.43590       12.22347 
1 1 1 12  11 58 o 28.43111 7.806533 48.29471       22.38445 15.91311       31.12200 83.00000       32.21931 20.96602 8.849401 36.40865 9.073632 -15.44263      12.67449 
1 1 1 12  12 0  o 173.9123 3.792556 1481.794       64.56075 1468.832       92.55518 1494.079       90.09972 172.9667 5.473675 174.4672 5.282068 -1.500458      7.606665 
1 1 1 12  12 1  o 324.5188 6.257283 5168.815       198.7613 5498.892       294.0238 4891.036       269.7271 334.0949 8.999162 315.1313 8.752817 18.96365       12.55375 
1 1 1 12  12 2  o 137.5752 3.326745 927.0654       44.79875 915.2315       65.11745 937.6995       61.72832 136.5436 4.879986 138.2371 4.568258 -1.693451      6.684553 
1 1 1 12  12 3  f 197.0133 5.897107 1906.254       113.5930 1683.000       151.4913 2193.000       171.6871 184.7659 8.398405 210.9722 8.330303 -26.20630      11.82908 
1 1 1 12  12 4  o 320.9293 6.194943 5055.527       194.6045 5093.037       277.5982 5019.280       272.8869 321.5145 8.829197 319.1971 8.742323 2.317474       12.42509 
1 1 1 12  12 5  o 232.8069 4.705702 2657.177       107.2326 2708.480       154.9096 2609.975       148.5874 234.7332 6.749142 230.4446 6.594108 4.288651       9.435740 
1 1 1 12  12 6  o 35.59815 5.753062 63.75866       19.36282 34.59140       28.82886 87.73000       26.13521 27.34005 9.154417 41.75961 6.613971 -14.41956      11.29371 
1 1 1 12  12 7  o 245.7122 4.928702 2960.720       118.5401 2931.004       167.8914 2990.260       167.3919 244.1236 7.033400 246.5965 6.941826 -2.472855      9.882190 
1 1 1 12  12 8  o 119.9040 4.578726 705.9002       53.63963 697.8000       80.05348 712.5000       72.25962 118.9686 6.904172 120.3086 6.156579 -1.339966      9.250463 
1 1 1 12  12 9  o 102.9798 3.484576 520.1599       35.07376 484.1000       67.71135 533.3832       41.00338 98.99535 7.033609 104.2442 4.026048 -5.248810      8.104364 
1 1 1 12  12 10 o 229.6933 4.671695 2587.219       105.0338 2510.555       147.4456 2666.203       149.6596 225.9347 6.674504 232.8560 6.572729 -6.921295      9.367485 
1 1 1 12  12 11 f 165.6688 3.705189 1345.014       60.08379 1328.083       86.51991 1360.784       83.50300 164.4160 5.383339 166.4588 5.131070 -2.042847      7.436950 
1 1 1 12  12 12 o 158.3705 3.620933 1229.121       56.13079 1215.761       81.49685 1241.179       77.42170 157.3012 5.300579 158.9751 4.981542 -1.673843      7.274056 
1 1 1 12  12 13 o 181.3573 3.943882 1612.305       70.01084 1670.068       103.4442 1563.484       95.10162 184.3229 5.740510 178.3768 5.453227 5.946045       7.917774 
1 1 1 12  12 14 o 47.30624 3.901916 110.4484       17.90717 78.22000       38.89483 119.1173       20.17229 39.03667 10.10221 49.10489 4.238298 -10.06822      10.95527 
1 1 1 12  12 15 o 87.94128 3.369109 379.5355       28.94743 331.7000       52.56829 400.3532       34.67891 81.86044 6.616951 90.28070 3.933760 -8.420265      7.697955 
1 1 1 12  12 16 f 176.8711 3.895425 1533.776       67.44005 1516.804       97.13515 1549.571       93.70648 175.6268 5.657786 177.5533 5.398082 -1.926483      7.819835 
1 1 1 12  12 17 o 110.4747 3.129630 598.5045       33.80836 549.8000       65.34891 616.3046       39.50623 105.5420 6.355118 112.0707 3.606061 -6.528748      7.306928 
1 1 1 12  12 18 o 96.62775 3.537178 458.2951       33.39885 432.1000       57.21182 471.8373       41.13587 93.52104 6.286376 97.97975 4.299688 -4.458710      7.616156 
1 1 1 12  12 19 o 201.2213 4.892349 1988.003       96.36018 1971.000       164.4322 1996.896       118.9194 199.5563 8.437160 201.4131 6.038784 -1.856735      10.37558 
1 1 1 12  12 20 o 122.9877 3.198131 741.8729       38.46762 715.4000       74.68724 751.4311       44.87796 120.3882 6.360628 123.7324 3.709660 -3.344200      7.363367 
1 1 1 12  12 21 o 143.1036 3.401327 1004.037       47.64367 1017.000       93.83849 999.5347       55.30174 143.5051 6.698961 142.6825 3.963536 0.8226471      7.783681 
1 1 1 12  12 22 o 177.1541 3.873860 1539.756       67.17403 1725.000       140.5769 1484.942       76.46934 186.6728 7.710145 173.8401 4.497757 12.83270       8.926149 
1 1 1 12  12 23 o 167.6102 3.743837 1378.436       61.42197 1542.000       127.2755 1328.778       70.12874 176.4769 7.384339 164.4315 4.361022 12.04535       8.575953 
1 1 1 12  12 24 o 86.36236 3.524615 366.5424       29.73233 0.000000       0.000000 366.5424       29.73233 ?        ?        86.36236 3.524615 ?              ?        
1 1 1 12  12 25 o 66.38862 4.502353 217.6721       29.08456 0.000000       0.000000 217.6721       29.08456 ?        ?        66.38862 4.502353 ?              ?        
1 1 1 12  12 26 o 149.5036 3.511200 1097.389       51.38230 1159.000       101.2084 1075.994       59.63999 152.8374 6.782094 147.8934 4.123885 4.943924       7.937457 
1 1 1 12  12 27 o 145.0453 3.467322 1033.247       49.22707 1068.000       95.22185 1020.571       57.50813 146.6345 6.651608 143.9984 4.084175 2.636093       7.805407 
1 1 1 12  12 28 o 145.3342 4.012705 1040.151       57.02896 1075.000       95.79626 1021.021       70.97635 146.9570 6.677104 143.7312 5.052803 3.225800       8.373442 
1 1 1 12  12 29 o 132.6617 3.329802 865.5809       43.20429 846.3000       80.38943 873.4119       51.23218 130.3440 6.319723 133.1312 3.935807 -2.787262      7.445097 
1 1 1 12  12 30 o 107.5079 3.127674 568.5800       32.87805 563.5000       59.19957 570.8457       39.53594 106.3937 5.705422 107.5995 3.759615 -1.205811      6.832756 
1 1 1 12  12 31 o 66.64675 3.113453 218.9008       20.25469 207.2764       26.14110 236.3627       32.03943 64.67301 4.151396 68.94608 4.777083 -4.273071      6.328871 
1 1 1 12  12 32 o 32.42828 4.960912 53.32377       15.24695 46.80449       19.13305 64.66722       25.23813 29.98501 6.689067 35.15813 7.558647 -5.173122      10.09340 
1 1 1 12  12 33 o 46.75578 3.799022 108.6621       17.23687 102.6281       21.75444 118.8397       28.25334 45.17216 5.003882 48.35299 6.105388 -3.180828      7.893960 
1 1 1 12  12 34 o 53.02070 3.898005 139.7493       20.08850 125.4509       23.75910 175.6000       37.62152 49.98445 4.919811 58.66507 6.669934 -8.680626      8.288097 
1 1 1 12  12 35 o 41.16384 4.216550 84.87827       16.74962 80.52121       21.76607 91.20486       26.22817 39.68591 5.772303 42.03296 6.591442 -2.347054      8.761655 
1 1 1 12  12 36 o 36.54178 5.443378 68.26615       18.87662 66.59087       20.85265 75.87000       44.42562 35.87716 6.159756 37.11363 11.25356 -1.236469      12.82908 
1 1 1 12  12 37 o 23.65267 6.440168 29.29391       15.30847 32.06259       19.03101 24.21813       25.76776 24.78596 7.331066 23.42912 8.589535 1.356838       11.29268 
1 1 1 12  12 38 o 48.00172 3.979562 115.1911       18.53024 99.21458       23.92647 139.1357       29.29147 44.03246 5.683812 52.19968 5.832361 -8.167213      8.143841 
1 1 1 12  12 39 o 58.68949 4.698074 173.4413       26.76377 173.4413       26.76377 0.000000       0.000000 58.68949 4.698074 ?        ?        ?              ?        
1 1 1 12  12 40 o 49.80143 3.897123 124.2457       18.84612 98.54277       24.75502 159.6799       29.06586 43.62906 5.951721 55.95381 5.372933 -12.32475      8.018191 
1 1 1 12  12 41 o 76.32793 3.348651 289.8603       24.95752 279.9103       33.35203 302.5219       37.62325 74.46870 4.597963 77.21472 5.004908 -2.746025      6.796349 
1 1 1 12  12 42 o 78.10792 3.343354 303.9711       25.50221 314.9894       34.59511 290.8578       37.74102 78.95477 4.494984 75.49826 5.137664 3.456505       6.826454 
1 1 1 12  12 43 o 76.24259 3.882419 291.8227       28.87846 293.3000       44.69323 290.7638       37.83808 75.05067 6.137436 75.38709 5.158831 -0.3364182     8.017585 
1 1 1 12  12 44 o 29.25729 6.909677 46.74540       19.46976 30.92000       29.62114 58.78329       25.83447 24.92142 9.196995 32.35193 8.160391 -7.430511      12.29539 
1 1 1 12  12 45 o 19.72784 7.456015 16.90298       19.70232 -36.57000      32.53727 47.86113       24.75720 15.65548 7.490327 29.13255 8.288063 -13.47707      11.17126 
1 1 1 12  12 46 o 51.72031 4.168359 135.8395       20.92382 142.6660       28.62402 128.0061       30.66256 52.22028 5.691993 48.92683 6.568359 3.293449       8.691498 
1 1 1 12  12 47 o 39.47219 7.123333 85.49336       26.50958 52.72000       41.93970 107.3000       34.21048 30.05023 10.96763 43.52164 8.333980 -13.47142      13.77477 
1 1 1 12  12 48 o 15.95357 7.020693 -1.584966      21.24599 46.38000       41.62903 -18.47890      24.70584 28.64787 10.83553 14.73878 6.891388 13.90909       12.84134 
1 1 1 12  12 49 o 44.52997 6.042653 106.0718       25.65924 105.8359       28.73462 107.0000       57.00654 43.93105 6.910283 39.09129 12.86616 4.839756       14.60445 
1 1 1 12  12 50 o 40.15416 5.225465 84.81709       20.05145 65.08877       27.86390 106.0066       28.87732 33.27436 8.519373 43.87149 6.956470 -10.59713      10.99874 
1 1 1 12  12 51 o 64.53560 3.899126 211.5426       24.51558 195.2906       34.07069 228.9911       35.30264 60.67693 5.807342 65.97979 5.516708 -5.302856      8.009950 
1 1 1 12  12 52 o 35.82914 5.967792 69.35223       20.19355 86.73055       28.98070 52.95210       28.15326 38.90800 7.880119 29.72998 8.946462 9.178022       11.92206 
1 1 1 12  12 53 o 40.50585 5.558440 87.32362       21.45764 55.05099       30.43184 119.2334       30.26027 30.08439 9.349885 46.53527 6.847872 -16.45088      11.58938 
1 1 1 12  12 54 o 14.17037 6.383323 -5.509988      18.65095 -7.299035      28.68126 -4.199141      24.55069 17.24898 7.828617 16.44583 7.372877 0.8031521      10.75391 
1 1 1 12  12 55 o 27.14199 7.435912 42.38099       20.33547 47.67603       31.12077 38.43544       26.86393 28.04477 9.511647 25.72115 8.834629 2.323618       12.98161 
1 1 1 12  12 56 f 33.05721 6.787056 61.52710       21.22503 36.51163       32.25592 80.62984       28.18727 25.31285 9.546021 37.08607 8.000198 -11.77322      12.45511 
1 1 1 12  12 57 o 26.93075 7.870653 43.17538       22.04694 43.08838       32.44604 43.25000       30.04983 26.50220 9.650698 26.53895 9.330405 -0.3675270E-01 13.42358 
1 1 1 12  13 0  o 284.0015 6.430197 3960.650       178.7521 3575.000       290.5962 4195.391       226.7186 268.7222 11.07162 291.9351 7.941420 -23.21289      13.62524 
1 1 1 12  13 1  f 118.8258 4.397991 693.0598       51.06477 643.3000       73.61920 739.2000       70.89101 114.2570 6.610900 122.5809 5.925849 -8.323914      8.878045 
1 1 1 12  13 2  o 75.61492 4.153123 281.0638       30.62088 253.1000       47.74678 300.6000       39.90860 71.44394 6.913978 78.10815 5.250421 -6.664215      8.681590 
1 1 1 12  13 3  o 268.5555 5.303028 3537.947       139.4004 3614.245       201.3286 3467.680       193.2061 271.0009 7.597265 265.4745 7.442531 5.526367       10.63530 
1 1 1 12  13 4  o 335.2478 6.453465 5519.748       211.7703 5631.240       304.9061 5415.843       294.3497 337.8810 9.227901 331.3916 9.082923 6.489441       12.94811 
1 1 1 12  13 5  o 61.12227 3.541692 183.6494       21.09854 238.4000       46.51207 169.4649       23.67436 69.30792 6.949762 58.65491 4.150317 10.65301       8.094709 
1 1 1 12  13 6  o 41.87203 5.151408 87.29514       20.66880 49.54166       30.14249 120.8000       28.39583 31.42957 9.207784 49.24183 6.016121 -17.81226      10.99895 
1 1 1 12  13 7  o 253.1797 5.848693 3146.711       144.9419 2897.000       242.0069 3286.383       180.9937 241.9569 10.24158 258.4436 7.161604 -16.48676      12.49714 
1 1 1 12  13 8  f 130.5588 3.319651 835.6213       42.38892 788.8710       61.96895 876.7316       58.11086 126.7148 5.006058 133.6473 4.448324 -6.932487      6.696880 
1 1 1 12  13 9  f 270.1777 5.346052 3582.334       141.3803 3695.337       205.3835 3480.561       194.9111 273.9042 7.668106 265.8566 7.497507 8.047607       10.72439 
1 1 1 12  13 10 o 285.3782 5.604940 3998.352       156.5662 3994.635       222.4440 4002.001       220.4061 284.6755 7.990874 284.9585 7.909628 -0.2829895     11.24350 
1 1 1 12  13 11 o 170.6797 3.792300 1427.859       63.35643 1390.736       90.86432 1462.985       88.38612 168.2162 5.525977 172.5712 5.238568 -4.354996      7.614395 
1 1 1 12  13 12 o 43.20554 3.957248 92.27689       16.54984 40.06476       32.41314 110.6888       19.24795 29.22722 9.704991 47.32725 4.198480 -18.10002      10.57422 
1 1 1 12  13 13 o 86.01010 3.405186 363.0876       28.61128 262.8000       53.38047 403.5117       33.89056 72.65391 7.619364 90.64667 3.828243 -17.99276      8.527025 
1 1 1 12  13 14 o 207.6343 4.961651 2115.945       100.8397 2150.000       177.7246 2099.776       122.4604 208.5044 8.727450 206.6079 6.061951 1.896545       10.62618 
1 1 1 12  13 15 o 293.9094 6.629680 4249.903       190.7270 4373.000       336.8153 4191.800       231.4023 296.3122 11.63540 291.4023 8.120674 4.909821       14.18900 
1 1 1 12  13 16 o 166.2358 3.732042 1354.793       60.72636 1374.000       122.0398 1348.472       70.00886 166.8112 7.493424 165.7434 4.318975 1.067810       8.648986 
1 1 1 12  13 17 o 242.1272 5.629618 2880.920       133.4224 2879.000       230.6094 2881.886       163.5806 240.8630 9.801867 241.8204 6.917979 -0.9574280     11.99729 
1 1 1 12  13 18 o 79.26042 3.614668 308.6432       27.96960 268.1000       48.60421 328.7162       34.19967 73.46906 6.837178 81.74061 4.289438 -8.271553      8.071324 
1 1 1 12  13 19 o 33.23093 4.657252 55.26297       14.73350 50.60000       34.93319 56.27192       16.24947 32.04788 10.02644 33.46446 5.123596 -1.416576      11.25969 
1 1 1 12  13 20 o 53.39117 3.475092 140.3620       18.06241 114.8000       37.52700 148.0695       20.60634 47.49567 8.378167 54.80548 3.866041 -7.309818      9.227132 
1 1 1 12  13 21 o 65.66562 3.826632 212.2562       24.48923 0.000000       0.000000 212.2562       24.48923 ?        ?        65.66562 3.826632 ?              ?        
1 1 1 12  13 22 o 100.6715 3.544560 497.7568       34.87363 0.000000       0.000000 497.7568       34.87363 ?        ?        100.6715 3.544560 ?              ?        
1 1 1 12  13 23 o 295.0958 5.799091 4290.502       167.5055 4344.000       334.3120 4272.569       193.5538 293.7598 11.64972 294.1414 6.722634 -0.3815613     13.45027 
1 1 1 12  13 24 o 128.6336 3.265123 812.2540       41.07796 1028.000       88.23254 752.5500       46.41505 144.1685 6.267452 123.7408 3.836761 20.42772       7.348584 
1 1 1 12  13 25 o 53.25383 4.130993 140.2219       21.36507 0.000000       0.000000 140.2219       21.36507 ?        ?        53.25383 4.130993 ?              ?        
1 1 1 12  13 26 o 51.80715 3.511041 132.4196       17.69940 199.3000       33.24796 105.9709       20.90825 63.32318 5.416042 46.15366 4.693338 17.16953       7.166655 
1 1 1 12  13 27 o 108.8775 3.115534 582.4861       33.16882 590.4000       62.04174 579.3189       39.24877 109.0757 5.832189 108.4920 3.701337 0.5837173      6.907555 
1 1 1 12  13 28 f 161.4312 4.238936 1284.925       66.92288 1514.000       123.1287 1188.880       79.72739 174.0273 7.244133 154.9642 5.263817 19.06310       8.954621 
1 1 1 12  13 29 o 36.98378 4.439126 68.44801       15.74918 94.73000       25.60033 52.44442       19.97676 43.21751 6.231548 31.87117 6.620163 11.34634       9.091686 
1 1 1 12  13 30 o 56.09998 3.476578 155.5126       18.99685 207.2000       32.90372 129.6694       23.26622 64.43006 5.263174 50.98923 4.715053 13.44083       7.066309 
1 1 1 12  13 31 o 65.69543 3.212360 212.9078       20.59429 216.4959       27.29477 208.1652       31.38017 66.05540 4.243936 64.59486 5.002027 1.460541       6.559822 
1 1 1 12  13 32 o 74.66879 3.465367 275.4742       25.25856 280.8361       30.51258 263.8000       45.02322 75.23802 4.159380 72.23396 6.435095 3.004066       7.662303 
1 1 1 12  13 33 o 74.57484 3.461895 274.9445       25.20146 269.1684       29.99798 288.8000       46.46087 73.61637 4.180228 75.56253 6.340072 -1.946159      7.594130 
1 1 1 12  13 34 o 17.30608 6.383773 12.16411       14.26861 7.068079       18.24376 20.19184       22.89785 17.21734 6.970894 21.90565 8.085789 -4.688307      10.67583 
1 1 1 12  13 35 o 71.54655 3.748573 253.9762       26.16033 259.6313       30.13930 236.7000       52.67913 72.19196 4.284457 67.38803 8.151872 4.803925       9.209211 
1 1 1 12  13 36 o 42.18287 4.289656 89.29560       17.46577 85.67496       22.17878 95.20688       28.33901 40.92935 5.689633 42.74220 7.016913 -1.812847      9.033770 
1 1 1 12  13 37 o 17.11663 6.488442 11.09924       14.94668 17.47989       19.13799 1.121175       23.93244 20.17698 7.401650 17.89090 7.662771 2.286074       10.65375 
1 1 1 12  13 38 o 42.36891 4.355876 90.37472       17.80759 78.40458       23.21844 107.4743       27.75080 38.82879 6.326671 45.56697 6.397838 -6.738186      8.997727 
1 1 1 12  13 39 o 27.40683 6.313441 39.80830       16.58781 51.96201       22.13933 24.25367       25.04609 31.07582 7.387423 23.09585 8.468225 7.979969       11.23765 
1 1 1 12  13 40 f 57.49426 4.971573 167.8983       27.70387 167.8983       27.70387 0.000000       0.000000 57.49426 4.971573 ?        ?        ?              ?        
1 1 1 12  13 41 o 67.92118 3.470088 230.1847       22.99377 206.3675       30.51379 261.4799       34.97753 63.67901 4.933926 71.67412 5.017325 -7.995106      7.036844 
1 1 1 12  13 42 o 41.87895 4.586439 89.49169       18.49372 94.06775       25.10266 84.05972       27.34972 42.24150 6.260406 39.36478 7.368809 2.876713       9.669127 
1 1 1 12  13 43 f 14.19581 6.145026 -0.3355702     15.70788 -2.969483      21.84455 2.484543       22.60349 16.09620 7.099779 17.34043 7.437381 -1.244225      10.28210 
1 1 1 12  13 44 o 41.17542 4.727432 87.07516       18.70806 65.54952       25.46227 112.3279       27.57867 34.32811 7.760639 46.06955 6.279058 -11.74144      9.982689 
1 1 1 12  13 45 o 57.16183 4.362710 166.1066       24.22563 113.4000       36.07893 209.3804       32.69143 44.84900 8.530171 63.67450 5.293017 -18.82551      10.03892 
1 1 1 12  13 46 f 45.93293 5.621371 110.6194       24.74780 109.3000       34.60828 112.0000       35.40259 44.00566 8.339783 44.49018 8.438178 -0.4845161     11.86401 
1 1 1 12  13 47 o 33.10387 6.812200 60.14006       21.33702 70.99000       35.00241 53.72412       26.91624 34.30829 9.885177 30.45563 8.634369 3.852659       13.12513 
1 1 1 12  13 48 o 17.21048 7.764236 -6.777690      27.71047 -7.610000      32.65398 -4.636000      52.38076 18.51024 8.381989 23.09618 10.52035 -4.585936      13.45123 
1 1 1 12  13 49 o 40.46727 6.267661 88.56193       24.02444 46.53000       41.77787 109.3284       29.36554 28.37981 10.82651 44.57747 6.957147 -16.19766      12.86915 
1 1 1 12  13 50 o 19.73910 7.780254 16.01338       22.11863 -11.13000      39.50496 28.40778       26.69515 19.72627 9.042387 23.42856 8.715218 -3.702293      12.55865 
1 1 1 12  13 51 o 18.52440 7.193511 14.42411       18.67614 -5.775598      26.95658 33.07028       25.89925 17.01692 7.669111 24.43379 8.655729 -7.416870      11.56447 
1 1 1 12  13 52 o 23.71814 7.448503 31.60037       19.26058 31.52613       28.21008 31.66519       26.36098 24.20678 8.967669 24.08194 8.708872 0.1248417      12.50054 
1 1 1 12  13 53 o 18.60054 7.336232 13.91805       19.67741 54.36269       29.53564 -18.36075      26.38606 29.94529 9.194810 15.19718 7.110974 14.74811       11.62370 
1 1 1 12  13 54 o 38.57213 5.970925 80.52167       21.81575 74.05885       32.17117 86.02348       29.68307 34.72194 9.285699 38.40400 8.148943 -3.682053      12.35433 
1 1 1 12  13 55 o 41.02734 5.700583 90.45993       22.27521 79.82829       32.74828 99.61416       30.38779 35.98573 9.247666 41.62080 7.743956 -5.635071      12.06185 
1 1 1 12  13 56 o 26.88285 7.909660 42.76438       22.20184 47.59188       31.58593 38.05000       31.21366 27.69331 9.576838 25.49453 9.435149 2.198778       13.44388 
1 1 1 12  13 57 o 15.75429 7.282353 -11.85137      26.38711 -9.305393      30.68964 -19.07000      51.67635 17.28774 7.941332 20.77643 9.793545 -3.488688      12.60866 
1 1 1 12  14 0  o 272.6928 6.231714 3651.813       166.3364 3781.061       209.7869 3433.000       272.9628 277.1135 7.741771 263.3376 10.61145 13.77591       13.13537 
1 1 1 12  14 1  o 282.2598 7.865003 3923.520       217.0853 4002.000       313.2501 3851.000       301.1192 284.1436 11.28527 278.7942 11.05632 5.349396       15.79872 
1 1 1 12  14 2  o 243.2666 4.888868 2902.448       116.4118 3016.022       170.2515 2802.725       159.5331 247.6012 7.031890 238.7127 6.834651 8.888535       9.806117 
1 1 1 12  14 3  o 146.1900 3.478713 1047.090       49.77857 993.6619       71.67522 1096.871       69.18582 142.2261 5.157070 149.4810 4.734486 -7.254913      7.000767 
1 1 1 12  14 4  o 171.0853 4.427892 1436.045       74.08848 1466.414       93.56699 1385.000       121.3072 172.7670 5.540098 167.6420 7.410922 5.125046       9.252808 
1 1 1 12  14 5  o 126.2985 4.653619 783.3158       57.43174 809.8000       87.66216 763.4000       76.01819 128.1486 7.015393 124.5097 6.257525 3.638901       9.400658 
1 1 1 12  14 6  o 133.6203 3.808770 875.7435       49.76453 811.6000       89.76408 904.2060       59.79478 128.2605 7.178604 135.7170 4.507396 -7.456528      8.476377 
1 1 1 12  14 7  o 173.3615 3.841592 1473.051       65.18836 1391.868       91.97207 1555.008       92.41002 168.2871 5.591166 177.9216 5.312155 -9.634583      7.712336 
1 1 1 12  14 8  o 103.1988 3.136250 522.2286       31.64371 464.9416       47.82115 566.8503       42.20510 97.21212 5.042902 107.4575 4.019650 -10.24537      6.448911 
1 1 1 12  14 9  o 144.7327 3.478042 1026.498       49.27285 1006.173       72.34400 1044.085       67.29437 143.0905 5.173698 145.8139 4.721135 -2.723419      7.004018 
1 1 1 12  14 10 o 103.4991 3.154079 525.3132       31.91597 497.2142       49.55742 545.2272       41.71976 100.5291 5.052487 105.3770 4.052283 -4.847954      6.476776 
1 1 1 12  14 11 o 118.3364 3.642595 687.0101       42.14230 549.2000       73.66438 754.0555       51.38087 105.3896 7.183861 123.9301 4.241888 -18.54051      8.342750 
1 1 1 12  14 12 o 183.2907 4.530324 1648.086       81.27853 1628.000       142.4812 1657.775       98.95945 181.5385 8.038234 183.6433 5.511474 -2.104736      9.746258 
1 1 1 12  14 13 o 162.9725 3.738830 1302.035       59.64254 1210.830       84.64424 1391.971       84.05344 156.9122 5.519647 168.3099 5.107901 -11.39769      7.520449 
1 1 1 12  14 14 o 214.5553 5.092910 2260.106       106.9576 2300.000       188.9788 2241.304       129.7365 215.5436 8.976840 213.4067 6.217435 2.136871       10.91971 
1 1 1 12  14 15 o 12.36656 5.541442 -6.402158      13.85068 -110.2000      40.24962 7.540466       14.75163 14.06528 7.032008 16.24374 6.368522 -2.178458      9.487213 
1 1 1 12  14 16 o 143.7419 3.974874 1014.095       55.87223 1002.000       97.65341 1019.981       68.12438 142.4520 7.025130 144.0606 4.838021 -1.608582      8.529882 
1 1 1 12  14 17 o 130.0035 3.277924 828.9142       41.67863 754.7000       82.58705 854.2742       48.27736 123.5899 6.853729 131.9363 3.742069 -8.346451      7.808757 
1 1 1 12  14 18 o 74.04921 3.403403 269.3859       24.60238 0.000000       0.000000 269.3859       24.60238 ?        ?        74.04921 3.403403 ?              ?        
1 1 1 12  14 19 o 113.1988 3.123968 628.5676       34.58113 582.6000       68.53516 644.2680       40.05376 108.5601 6.479141 114.5647 3.576174 -6.004608      7.400560 
1 1 1 12  14 20 o 66.43900 3.276481 216.9460       21.24199 197.7000       44.35712 222.6731       24.19699 62.85795 7.347832 67.27510 3.688636 -4.417149      8.221720 
1 1 1 12  14 21 o 175.8443 3.858319 1517.473       66.40989 1493.000       131.0732 1525.925       77.02872 173.5400 7.735729 176.1951 4.469959 -2.655106      8.934318 
1 1 1 12  14 22 o 111.8155 3.115637 613.5643       34.06680 629.0000       67.66358 608.3229       39.42868 112.7756 6.152929 111.2831 3.624572 1.492546       7.141152 
1 1 1 12  14 23 o 161.6634 4.297067 1285.242       67.93677 0.000000       0.000000 1285.242       67.93677 ?        ?        161.6634 4.297067 ?              ?        
1 1 1 12  14 24 o 104.9886 3.108484 541.2438       31.90940 621.1000       64.10488 514.9402       36.79123 112.0193 5.866898 102.3351 3.678922 9.684158       6.924952 
1 1 1 12  14 25 o 59.85239 3.916628 176.8312       22.81957 0.000000       0.000000 176.8312       22.81957 ?        ?        59.85239 3.916628 ?              ?        
1 1 1 12  14 26 o 71.72076 3.703395 253.5275       25.91062 0.000000       0.000000 253.5275       25.91062 ?        ?        71.72076 3.703395 ?              ?        
1 1 1 12  14 27 o 112.3489 3.152845 620.4990       34.63761 598.3000       64.04637 629.6762       41.17947 109.6860 5.988081 113.0785 3.725528 -3.392532      7.052423 
1 1 1 12  14 28 o 100.2917 3.673645 495.7120       36.00260 0.000000       0.000000 495.7120       36.00260 ?        ?        100.2917 3.673645 ?              ?        
1 1 1 12  14 29 o 45.48533 3.984802 102.7809       17.56224 81.71000       29.03907 114.9322       22.05223 39.66203 7.758017 47.97515 4.758668 -8.313126      9.101195 
1 1 1 12  14 30 o 62.86340 3.355076 195.0962       20.56982 154.7000       34.22403 217.9418       25.73727 55.27196 6.446769 66.33889 3.981913 -11.06693      7.577365 
1 1 1 12  14 31 o 103.0542 4.243779 526.2324       42.71639 521.4000       57.68402 532.1000       63.56320 102.0384 5.799328 102.8555 6.344405 -0.8171463     8.595561 
1 1 1 12  14 32 o 81.60767 3.454383 329.0740       27.53115 307.5210       32.66822 381.9000       51.14414 78.68916 4.257205 87.10341 6.035998 -8.414246      7.386275 
1 1 1 12  14 33 o 30.65706 5.455109 48.29076       15.76964 34.60169       20.33416 68.94781       24.97892 25.79748 7.564093 36.26309 7.290297 -10.46561      10.50542 
1 1 1 12  14 34 o 95.48647 3.657461 451.5058       34.12118 470.6498       40.27245 402.8000       64.23651 97.29919 4.238731 88.54214 7.481793 8.757057       8.599073 
1 1 1 12  14 35 o 104.4772 3.208041 539.2754       32.76822 567.7490       44.81523 506.5639       48.03461 106.8089 4.295351 100.6310 4.891240 6.177887       6.509552 
1 1 1 12  14 36 o 39.95076 4.594552 80.55942       17.64023 89.40199       23.16169 68.34559       27.22118 41.75121 5.825980 35.73429 7.983897 6.016914       9.883554 
1 1 1 12  14 37 o 55.40240 3.762572 152.9366       20.28314 137.9978       26.45706 174.2344       31.59009 52.17069 5.252353 58.55537 5.578947 -6.384682      7.662366 
1 1 1 12  14 38 o 24.41392 6.738445 31.55423       16.62932 13.24643       21.72995 57.42986       25.83368 19.66100 7.723108 32.52032 8.136472 -12.85932      11.21822 
1 1 1 12  14 39 o 62.88145 3.546709 197.0215       21.74154 195.7701       29.10040 198.6025       32.70941 62.21890 4.815727 62.41127 5.407616 -0.1923752     7.241100 
1 1 1 12  14 40 o 53.77942 3.816504 144.9948       19.95985 152.4133       26.50871 135.2829       30.33076 54.68680 5.007750 50.95823 6.208851 3.728573       7.976678 
1 1 1 12  14 41 o 87.57738 4.484327 387.4420       38.31308 387.4420       38.31308 0.000000       0.000000 87.57738 4.484327 ?        ?        ?              ?        
1 1 1 12  14 42 o 34.11721 5.583550 61.05177       18.00179 78.88054       24.89339 41.50731       26.06365 38.27802 6.897655 27.39826 8.672729 10.87976       11.08124 
1 1 1 12  14 43 o 50.96154 4.081317 131.3552       20.18861 137.2599       27.64024 124.6025       29.55816 51.39878 5.583535 48.52748 6.376932 2.871296       8.475914 
1 1 1 12  14 44 o 17.31109 6.754029 11.11371       16.52499 10.55563       22.61017 11.75365       24.21166 18.91637 7.722563 19.59787 7.994937 -0.6814957     11.11562 
1 1 1 12  14 45 o 74.39121 3.775103 278.5960       27.39899 267.3134       33.64761 300.8000       47.20260 72.26094 4.784058 75.34293 6.462924 -3.081993      8.040933 
1 1 1 12  14 46 o 42.53445 4.840060 93.57236       19.79303 87.86086       27.43776 99.76945       28.58033 39.90823 7.292571 42.71211 7.084216 -2.803883      10.16699 
1 1 1 12  14 47 o 18.67748 8.179296 1.334237       28.51895 7.447000       34.34910 -12.23000      51.16751 21.04155 9.097702 22.25104 10.23327 -1.209486      13.69262 
1 1 1 12  14 48 o 75.34205 4.226838 289.4129       31.04662 299.4000       51.51544 283.7166       38.90586 73.90580 7.212883 73.64337 5.435591 0.2624283      9.031685 
1 1 1 12  14 49 o 41.95493 5.950211 94.37798       23.75086 112.0000       39.75989 84.60104       29.61545 42.91988 9.693897 38.28414 8.153060 4.635735       12.66665 
1 1 1 12  14 50 o 17.54007 7.395448 6.598151       21.69792 -7.215000      37.54428 13.52552       26.58775 19.66394 8.937343 20.15763 8.317453 -0.4936943     12.20885 
1 1 1 12  14 51 o 22.06755 8.659615 22.43487       27.29559 0.000000       0.000000 22.43487       27.29559 ?        ?        22.06755 8.659615 ?              ?        
1 1 1 12  14 52 f 21.94417 8.618694 22.17568       27.05841 0.000000       0.000000 22.17568       27.05841 ?        ?        21.94417 8.618694 ?              ?        
1 1 1 12  14 53 o 21.33028 8.120595 22.16778       23.47379 -6.897000      44.12470 33.64025       27.72214 20.95481 9.587127 24.57697 8.924827 -3.622158      13.09830 
1 1 1 12  14 54 o 21.80752 7.666224 25.54082       20.28601 11.44830       30.52212 36.69181       27.15047 20.47623 8.708322 25.26695 8.870005 -4.790720      12.43028 
1 1 1 12  14 55 o 33.11670 7.586813 63.62275       24.06400 43.76278       32.90377 86.46000       35.28403 26.91863 9.730470 37.06005 9.637607 -10.14142      13.69546 
1 1 1 12  14 56 o 23.07192 8.858385 28.53209       28.08858 31.35911       33.22510 21.45000       52.58757 24.13373 9.528412 24.76387 10.96502 -0.6301422     14.52661 
1 1 1 12  14 57 o 21.21963 7.675078 24.57944       20.47515 7.151314       32.98943 35.49969       26.11355 19.89296 8.751567 24.43841 8.688074 -4.545450      12.33177 
1 1 1 12  15 0  o 154.4928 3.579276 1169.605       54.12647 1111.186       77.10856 1226.351       75.99634 150.3860 5.246320 158.0321 4.918927 -7.646103      7.191642 
1 1 1 12  15 1  o 229.0061 6.609085 2579.856       147.9927 2790.000       222.4540 2413.000       198.2221 237.4976 9.588894 220.9403 9.185849 16.55731       13.27881 
1 1 1 12  15 2  o 167.6193 5.297786 1380.279       86.81185 1269.000       120.5868 1500.000       125.0773 160.3694 7.704494 174.4485 7.341367 -14.07906      10.64213 
1 1 1 12  15 3  o 147.8453 4.099619 1072.403       59.27039 1022.061       72.97301 1170.000       101.6041 144.2239 5.177546 154.1168 6.751656 -9.892822      8.508339 
1 1 1 12  15 4  o 163.7386 4.256003 1315.443       68.15392 1185.000       117.0374 1382.373       83.83474 154.9411 7.741586 167.7631 5.111263 -12.82202      9.276700 
1 1 1 12  15 5  o 94.41283 4.457068 438.1185       41.07322 382.5000       62.33268 480.8000       54.60416 87.86314 7.314014 98.79055 5.670646 -10.92741      9.254784 
1 1 1 12  15 6  o 135.0678 3.831746 894.9501       50.60760 931.2000       95.55349 880.8177       59.66249 137.3885 7.129814 133.9309 4.557720 3.457642       8.462095 
1 1 1 12  15 7  o 57.65678 4.591321 164.0917       25.69773 103.7046       35.81080 228.2000       36.89772 45.14882 8.412735 67.94154 5.597892 -22.79271      10.10497 
1 1 1 12  15 8  o 97.75394 3.146320 468.6718       30.06611 451.0020       47.46158 480.5157       38.85733 95.72488 5.083598 98.91689 4.021636 -3.192009      6.482015 
1 1 1 12  15 9  o 59.33901 3.494535 173.1618       20.20733 122.6995       36.06217 196.2585       24.39739 49.32610 7.722271 63.14516 3.967323 -13.81907      8.681769 
1 1 1 12  15 10 o 221.1149 5.228565 2400.422       113.1636 2254.000       191.4184 2479.091       140.3081 213.3704 9.186749 224.4438 6.393104 -11.07336      11.19232 
1 1 1 12  15 11 o 315.0338 7.059725 4886.056       217.6963 5129.000       390.8090 4776.757       262.1314 320.5405 12.47975 310.9242 8.621400 9.616272       15.16815 
1 1 1 12  15 12 o 308.0923 6.021973 4666.161       181.6042 4708.123       259.7464 4626.033       254.0040 308.6486 8.606036 305.9842 8.488975 2.664429       12.08828 
1 1 1 12  15 13 o 289.5155 5.682075 4118.910       161.0219 4107.000       321.7111 4122.891       185.9963 287.0969 11.47114 289.4593 6.564636 -2.362396      13.21671 
1 1 1 12  15 14 o 361.9592 8.040927 6465.945       284.8865 6581.000       498.6907 6410.207       347.0997 361.7903 14.10917 359.5058 9.873098 2.284515       17.22054 
1 1 1 12  15 15 o 78.61178 3.739212 303.7054       28.68978 225.4000       53.67653 335.0229       33.94547 67.04273 8.360694 82.53021 4.216034 -15.48748      9.363554 
1 1 1 12  15 16 o 287.1923 5.640316 4055.129       158.5559 4027.000       315.5373 4064.631       183.3906 284.0033 11.37366 287.3083 6.521128 -3.304993      13.11051 
1 1 1 12  15 17 o 326.1101 6.320062 5236.701       201.7399 5125.000       397.1823 5275.538       234.2001 319.4202 12.72893 326.9783 7.317488 -7.558075      14.68234 
1 1 1 12  15 18 o 37.92970 4.185946 71.45773       15.28281 7.021000       40.12798 82.38983       16.52847 24.39887 10.15611 40.75817 4.203177 -16.35930      10.99151 
1 1 1 12  15 19 o 29.49997 5.382639 44.12616       14.97006 53.88000       41.12615 42.63640       16.07269 33.41869 10.92420 28.91356 5.879605 4.505127       12.40596 
1 1 1 12  15 20 o 108.7365 3.130634 580.2046       33.28599 680.6000       73.19010 554.0248       37.37481 117.3062 6.398417 106.2068 3.600382 11.09937       7.341831 
1 1 1 12  15 21 o 151.1096 3.537264 1120.389       52.31977 1109.000       103.3221 1124.316       60.67375 149.6067 7.075686 151.2528 4.101967 -1.646118      8.178720 
1 1 1 12  15 22 o 83.39594 3.545131 341.9583       28.87297 0.000000       0.000000 341.9583       28.87297 ?        ?        83.39594 3.545131 ?              ?        
1 1 1 12  15 23 o 94.37025 3.546348 437.8627       32.70012 0.000000       0.000000 437.8627       32.70012 ?        ?        94.37025 3.546348 ?              ?        
1 1 1 12  15 24 o 71.42883 3.160234 250.9011       22.04056 295.3000       45.63218 237.3913       25.17144 77.03490 6.101499 69.41028 3.718486 7.624619       7.145308 
1 1 1 12  15 25 f 89.71741 3.600185 396.2151       31.55186 0.000000       0.000000 396.2151       31.55186 ?        ?        89.71741 3.600185 ?              ?        
1 1 1 12  15 26 o 74.44457 3.121221 272.6733       22.69338 280.1000       43.11732 269.8279       26.68904 74.94651 5.925708 73.97555 3.697579 0.9709625      6.984705 
1 1 1 12  15 27 o 87.97876 3.067795 380.7602       26.37821 390.3000       50.23912 377.1292       30.99419 88.49351 5.832470 87.46889 3.627975 1.024612       6.868762 
1 1 1 12  15 28 o 130.9843 3.368440 844.6980       43.15128 1092.000       93.39172 777.5718       48.65647 147.7956 6.471348 125.5237 3.965097 22.27190       7.589489 
1 1 1 12  15 29 o 114.2965 3.238442 643.3417       36.19404 664.2000       68.75408 635.3453       42.57021 115.2293 6.117707 113.4408 3.839338 1.788406       7.222662 
1 1 1 12  15 30 o 104.3910 3.589725 537.9911       36.62553 511.3000       58.80512 554.9069       46.81429 100.9932 5.975334 105.7515 4.533101 -4.758301      7.500241 
1 1 1 12  15 31 o 125.5929 4.560652 783.4470       55.97273 746.5000       75.40036 828.8000       83.53851 121.7589 6.348475 128.1183 6.684581 -6.359436      9.218825 
1 1 1 12  15 32 o 74.49451 3.187129 274.0314       23.18597 270.6595       31.10487 278.2479       34.78228 73.75842 4.327356 74.65483 4.785051 -0.8964081     6.451568 
1 1 1 12  15 33 o 67.90002 3.858270 228.9207       25.53746 233.7307       29.39083 214.1000       51.59064 68.46323 4.409239 63.95792 8.447140 4.505310       9.528670 
1 1 1 12  15 34 o 109.1669 3.232336 588.7728       34.50126 625.3527       47.55179 548.1107       50.13493 112.0910 4.342225 104.6863 4.906301 7.404663       6.551848 
1 1 1 12  15 35 f 129.2375 3.404024 826.2040       43.02382 805.0880       57.81656 852.4067       64.40501 126.9869 4.659335 130.4446 5.053704 -3.457649      6.873815 
1 1 1 12  15 36 o 44.30634 4.356841 98.68308       18.65073 102.4471       24.71057 93.70027       28.43131 44.71760 5.780552 42.25607 7.127167 2.461525       9.176671 
1 1 1 12  15 37 o 76.68172 3.328235 291.5645       24.92164 289.4405       33.19083 294.3097       37.73362 76.00275 4.481407 76.39282 5.075036 -0.3900757     6.770451 
1 1 1 12  15 38 o 50.83558 4.106534 129.7181       20.26003 125.2797       26.80978 135.6275       30.93499 49.41161 5.644299 51.15013 6.312487 -1.738518      8.467916 
1 1 1 12  15 39 o 99.81463 3.265527 494.8236       31.86168 479.9704       42.74817 513.3877       47.79081 97.67545 4.483173 100.7880 4.858593 -3.112518      6.610959 
1 1 1 12  15 40 o 33.40754 5.726037 58.58860       18.05081 63.22326       24.40499 52.99082       26.82113 33.99603 7.532395 30.77080 8.582438 3.225229       11.41907 
1 1 1 12  15 41 o 30.50758 6.315422 49.85494       18.23726 80.61738       25.35322 16.87011       26.25306 38.70961 6.946505 21.30058 8.450845 17.40904       10.93941 
1 1 1 12  15 42 o 24.37576 7.459752 32.23525       19.46109 47.75730       23.92805 1.904000       33.44860 29.20733 8.091398 20.36336 8.889105 8.843977       12.02027 
1 1 1 12  15 43 o 34.59289 5.664889 63.07911       18.51825 87.23171       25.24063 34.92289       27.25245 40.32947 6.623734 25.56788 8.892742 14.76159       11.08849 
1 1 1 12  15 44 o 45.14724 4.895715 105.0591       21.28897 99.41944       26.80188 114.7000       35.04276 43.07070 6.564601 45.29080 8.206735 -2.220104      10.50926 
1 1 1 12  15 45 o 29.73326 6.684987 48.46704       18.98184 41.22337       27.30169 55.24492       26.40930 27.03117 8.904264 30.99892 8.466402 -3.967754      12.28682 
1 1 1 12  15 46 o 16.88726 7.407060 -0.6622627     23.47106 6.004095       26.92046 -21.79000      47.92529 19.05564 8.143510 20.80693 9.685214 -1.751289      12.65386 
1 1 1 12  15 47 o 39.17594 5.395664 80.95525       20.14155 106.7452       29.41781 58.19708       27.63465 44.03867 7.063175 31.45363 8.688581 12.58504       11.19732 
1 1 1 12  15 48 o 15.66645 6.711722 2.620661       18.36899 22.11453       26.62198 -15.09396      25.37799 21.96655 8.571961 15.30483 7.097982 6.661722       11.12924 
1 1 1 12  15 49 o 26.32157 7.326073 39.28326       19.56554 41.96991       28.46395 36.87681       26.93872 26.86668 9.096711 25.51990 8.843345 1.346779       12.68680 
1 1 1 12  15 50 o 34.29250 7.310822 66.52898       23.78968 46.21000       44.01033 74.91689       28.27683 28.22308 11.01911 35.82890 8.235578 -7.605827      13.75666 
1 1 1 12  15 51 o 24.45947 8.305961 33.78856       23.73182 30.25000       43.86308 35.25311       28.21874 25.61133 10.63596 25.06305 9.017491 0.5482826      13.94413 
1 1 1 12  15 52 o 27.64108 8.291366 44.86884       24.20973 -5.822000      44.52681 66.14338       28.84609 21.19239 9.671033 33.22321 8.750548 -12.03082      13.04228 
1 1 1 12  15 53 o 19.39219 7.861588 14.10299       23.23801 41.38000       45.29354 4.357889       27.07268 27.25925 11.00269 18.49081 8.035391 8.768438       13.62449 
1 1 1 12  15 54 o 30.97570 9.843513 60.73000       33.54726 0.000000       0.000000 60.73000       33.54726 ?        ?        30.97570 9.843513 ?              ?        
1 1 1 12  15 55 f 30.11855 12.04569 61.34000       53.76123 0.000000       0.000000 61.34000       53.76123 ?        ?        30.11855 12.04569 ?              ?        
1 1 1 12  15 56 o 50.81860 5.478498 138.6760       26.82141 127.8000       46.90215 143.9610       32.69499 43.17710 11.05215 50.67123 6.760473 -7.494122      12.95585 
1 1 1 12  16 0  f 57.41310 3.471960 162.1214       19.42037 150.6124       32.94753 168.2488       24.04055 55.01281 6.228029 58.42383 4.232558 -3.411015      7.530133 
1 1 1 12  16 1  o 58.43547 4.500093 168.4721       25.54162 154.5000       43.94499 175.6000       31.38764 55.36954 8.369268 59.55836 5.444201 -4.188816      9.984186 
1 1 1 12  16 2  o 117.0607 4.508932 673.1314       51.56776 608.2000       75.25819 730.6000       70.80136 110.9690 6.963716 121.8010 5.956671 -10.83205      9.163802 
1 1 1 12  16 3  o 205.2332 4.952086 2067.025       99.48145 1858.000       166.0235 2184.113       124.2588 193.8279 8.773534 210.7436 6.029946 -16.91576      10.64590 
1 1 1 12  16 4  o 199.5298 4.860219 1953.600       94.92265 1895.000       166.5625 1981.786       115.5171 195.7564 8.714553 200.7559 5.884923 -4.999527      10.51550 
1 1 1 12  16 5  o 219.2186 4.530996 2357.410       97.22486 2364.399       139.9796 2350.895       135.1414 219.1749 6.532098 218.5865 6.322889 0.5883789      9.091052 
1 1 1 12  16 6  o 115.4480 3.302827 653.6500       37.28479 560.9138       55.15485 731.6921       50.59684 106.7544 5.294793 122.0728 4.240903 -15.31837      6.783811 
1 1 1 12  16 7  o 74.77242 3.348697 274.5320       24.44670 201.0228       41.08890 314.8125       30.41590 63.57615 6.703529 80.03755 3.894090 -16.46141      7.752499 
1 1 1 12  16 8  o 107.9532 3.241359 571.5815       34.21187 521.5517       52.60449 608.2537       45.03778 102.9317 5.238388 111.2921 4.141567 -8.360359      6.677820 
1 1 1 12  16 9  o 31.65973 5.756635 50.77095       17.18254 32.94000       49.08658 53.26091       18.34305 30.75276 11.73449 32.40731 6.003625 -1.654549      13.18111 
1 1 1 12  16 10 o 55.29129 3.946168 150.6675       21.21652 115.0000       51.32899 158.0171       23.30013 47.17705 11.27025 56.60143 4.236300 -9.424385      12.04013 
1 1 1 12  16 11 o 142.9929 3.506608 1002.267       49.08038 839.2000       96.00620 1059.963       57.10677 130.2596 7.562315 146.9651 3.973433 -16.70554      8.542645 
1 1 1 12  16 12 o 157.7475 3.660606 1220.002       56.52254 1083.000       111.0680 1267.883       65.66085 147.9904 7.693839 160.7169 4.177409 -12.72649      8.754765 
1 1 1 12  16 13 o 169.3640 4.393536 1408.469       72.77372 1378.000       127.3250 1423.252       88.68775 166.9274 7.814241 170.1193 5.332619 -3.191895      9.460402 
1 1 1 12  16 14 o 219.8845 5.246872 2375.561       112.9279 2201.000       188.3201 2473.577       141.1149 210.6200 9.156508 224.0623 6.440930 -13.44237      11.19496 
1 1 1 12  16 15 o 59.92615 3.167980 176.5102       18.51653 194.2000       50.08987 173.7102       19.92814 62.10729 8.459158 59.42455 3.440772 2.682743       9.132155 
1 1 1 12  16 16 o 131.6095 3.326971 849.7365       42.82470 670.5000       82.76317 915.2719       50.04513 116.3355 7.304939 136.5508 3.747765 -20.21532      8.210230 
1 1 1 12  16 17 o 80.70216 3.449208 319.9528       27.18366 0.000000       0.000000 319.9528       27.18366 ?        ?        80.70216 3.449208 ?              ?        
1 1 1 12  16 18 o 58.33003 3.321255 167.3855       18.88436 123.4000       47.65268 175.5803       20.56840 48.86894 10.28793 59.72542 3.534117 -10.85648      10.87803 
1 1 1 12  16 19 o 95.08493 3.092599 443.7703       28.74508 386.9000       59.78248 460.8723       32.78351 88.23006 6.979118 96.86661 3.463176 -8.636551      7.791129 
1 1 1 12  16 20 o 12.74318 5.549396 -2.430520      12.96968 64.20000       37.66217 -11.39537      13.81466 35.43976 10.26680 11.39807 5.268888 24.04169       11.53986 
1 1 1 12  16 21 o 54.80812 3.406100 147.9758       18.18264 132.2000       41.35631 151.7560       20.24420 50.87252 8.612216 55.46878 3.750655 -4.596260      9.393492 
1 1 1 12  16 22 o 38.12040 4.948520 72.74863       18.02922 0.000000       0.000000 72.74863       18.02922 ?        ?        38.12040 4.948520 ?              ?        
1 1 1 12  16 23 o 25.67778 5.917105 33.88538       14.56652 80.26000       36.08462 24.85723       15.92140 39.22336 9.500462 22.30070 6.731636 16.92266       11.64361 
1 1 1 12  16 24 o 104.7986 3.129790 539.7090       32.06934 628.5000       67.14296 513.4666       36.50208 112.4743 6.121828 102.1401 3.656930 10.33428       7.130913 
1 1 1 12  16 25 f 114.1735 3.203851 640.8960       35.76961 662.9000       70.55083 633.2827       41.49880 115.3845 6.270231 113.3985 3.743846 1.986000       7.302888 
1 1 1 12  16 26 o 93.12584 3.637698 427.4276       33.09535 0.000000       0.000000 427.4276       33.09535 ?        ?        93.12584 3.637698 ?              ?        
1 1 1 12  16 27 o 85.60940 3.150763 360.8385       26.35736 346.7000       50.51321 366.1281       30.89695 83.18742 6.249246 86.14394 3.672675 -2.956512      7.248559 
1 1 1 12  16 28 o 115.3845 3.245596 655.6431       36.61984 563.6000       66.59907 695.5313       43.84245 105.9945 6.449695 118.7161 3.777742 -12.72158      7.474617 
1 1 1 12  16 29 o 82.66414 3.597145 337.5738       29.03624 329.1000       48.30552 342.3676       36.33268 80.90029 6.146142 83.03702 4.486788 -2.136726      7.609621 
1 1 1 12  16 30 o 109.3041 3.646916 590.4175       38.96367 573.5000       64.47606 600.1498       48.90340 106.7587 6.196688 109.9067 4.555660 -3.147980      7.691098 
1 1 1 12  16 31 f 48.84275 4.653115 119.5430       21.97743 95.89000       34.44611 135.7819       28.54149 42.51131 8.574284 51.78849 5.725884 -9.277176      10.31039 
1 1 1 12  16 32 o 80.69370 3.727652 322.7082       29.36339 329.0994       34.25488 305.0000       57.01872 81.31799 4.319067 76.90963 7.676529 4.408363       8.808146 
1 1 1 12  16 33 o 67.42818 3.378727 225.1325       22.22874 203.0639       29.02328 256.4460       34.57211 63.68221 4.688979 71.50803 4.970227 -7.825829      6.832985 
1 1 1 12  16 34 o 134.0397 3.456782 888.9196       45.31573 875.2056       61.23094 905.5272       67.38197 132.3772 4.733159 134.4185 5.130701 -2.041260      6.980464 
1 1 1 12  16 35 o 101.7272 3.249760 511.9794       32.31745 514.8501       43.83168 508.5598       47.83826 101.5500 4.420216 100.7165 4.866938 0.8334274      6.574602 
1 1 1 12  16 36 o 79.56844 3.334246 313.8214       25.91083 318.6093       34.99163 308.0091       38.55369 79.76355 4.500062 78.18531 5.064982 1.578239       6.775293 
1 1 1 12  16 37 o 38.50777 5.119916 75.89186       18.82048 68.31284       25.35530 85.19130       28.08604 35.66485 7.501293 39.94976 7.456588 -4.284908      10.57687 
1 1 1 12  16 38 o 60.73077 3.683953 184.2271       21.79624 183.5752       29.97897 184.9581       31.74595 60.05225 5.149801 60.14142 5.451895 -0.8916855E-01 7.499574 
1 1 1 12  16 39 o 38.08541 5.249776 74.94092       19.05063 75.81792       26.14310 73.94793       27.81816 37.40867 7.401858 36.67148 7.977341 0.7371864      10.88235 
1 1 1 12  16 40 o 59.37777 4.475052 178.6566       25.81786 197.5000       43.28209 168.2485       32.16732 60.71220 7.438485 56.92953 5.856018 3.782661       9.466996 
1 1 1 12  16 41 o 54.71910 3.998823 151.0377       21.27006 141.9305       28.28794 162.8846       32.26340 52.28956 5.614729 55.83464 5.997269 -3.545078      8.215377 
1 1 1 12  16 42 o 53.08390 4.049388 142.4816       20.88182 124.8343       27.80249 165.3208       31.62886 48.77405 5.946331 56.27970 5.825636 -7.505646      8.324475 
1 1 1 12  16 43 o 18.09122 7.192490 11.36057       19.05463 -13.92870      24.14342 53.13000       31.02844 15.21456 7.008859 30.29317 9.445246 -15.07861      11.76167 
1 1 1 12  16 44 o 50.85725 4.274130 131.7310       21.08014 139.6378       29.19536 123.1193       30.46906 51.49499 5.898515 47.85014 6.687747 3.644844       8.917312 
1 1 1 12  16 45 o 25.33358 8.302147 35.70786       23.74633 55.93826       27.21736 -28.78000      48.59400 31.03633 8.641565 20.35508 9.564403 10.68125       12.89009 
1 1 1 12  16 46 o 17.15744 7.000127 8.712408       18.56366 8.288588       26.64820 9.111986       25.87485 19.31994 8.173326 19.27411 8.098298 0.4582977E-01  11.50590 
1 1 1 12  16 47 o 46.98841 4.742857 114.3826       21.51584 99.13837       30.12450 130.2569       30.74084 41.97190 7.612818 48.99497 6.575886 -7.023064      10.05968 
1 1 1 12  16 48 o 28.64027 7.032011 46.22427       19.56622 49.85421       28.44120 42.96262       26.95983 28.90154 9.047652 27.09184 8.844111 1.809690       12.65221 
1 1 1 12  16 49 o 34.55680 6.285114 65.20427       20.47658 57.35354       29.23942 72.76012       28.68505 30.85385 9.076866 35.19657 8.436172 -4.342720      12.39187 
1 1 1 12  16 50 o 42.11216 5.356781 93.81948       21.58190 68.22472       31.02625 117.8136       30.04045 33.49195 9.188565 46.24121 6.843333 -12.74926      11.45692 
1 1 1 12  16 51 o 30.93764 7.045846 54.05742       20.85768 67.03360       30.28846 42.35385       28.76489 33.23496 9.062727 26.80956 9.143729 6.425400       12.87404 
1 1 1 12  16 52 o 31.70244 6.861229 56.48673       20.67231 74.26395       30.42489 41.24181       28.17472 35.08615 8.858906 26.45342 9.048789 8.632723       12.66336 
1 1 1 12  16 53 o 35.00243 7.113791 69.25347       23.54093 62.48535       31.73881 77.53000       35.09786 31.68604 9.490912 35.04515 9.833474 -3.359112      13.66655 
1 1 1 12  16 54 o 47.54937 6.541402 124.6749       29.63944 140.9877       34.81102 81.68000       56.51480 49.90850 7.345316 33.32689 12.62057 16.58161       14.60248 
1 1 1 12  16 55 o 57.58892 5.282047 176.2830       29.44339 253.8000       58.35545 149.8099       34.10243 63.89417 9.629564 51.65057 6.919237 12.24360       11.85767 
1 1 1 12  16 56 o 41.92062 6.651341 98.86682       26.38218 90.77000       54.34228 101.3637       30.17704 34.07808 12.47705 41.57673 7.698609 -7.498642      14.66102 
1 1 1 12  17 0  o 236.7849 6.832081 2761.309       158.1826 2550.000       215.7357 3007.000       232.6260 226.7979 9.740707 246.3402 9.666308 -19.54236      13.72293 
1 1 1 12  17 1  o 178.5902 5.552199 1568.122       96.93954 1554.000       140.3650 1581.000       134.0401 177.3254 8.108351 178.9531 7.670039 -1.627762      11.16131 
1 1 1 12  17 2  o 80.97475 4.396486 322.5785       34.71598 289.3000       55.47510 344.0000       44.50834 76.26573 7.529383 83.51276 5.474999 -7.247025      9.309524 
1 1 1 12  17 3  o 162.7040 5.321166 1301.348       84.63049 1269.000       123.4848 1330.000       116.2167 160.2408 7.897219 164.1796 7.249621 -3.938858      10.72022 
1 1 1 12  17 4  o 66.33038 3.436265 216.2097       22.23424 218.2216       39.30576 215.2630       26.96271 66.34745 6.121350 66.11906 4.187624 0.2283936      7.416679 
1 1 1 12  17 5  o 27.44855 6.356068 38.53624       16.74041 28.65425       34.40842 41.60069       19.16104 26.96383 9.919012 28.50755 6.934205 -1.543718      12.10248 
1 1 1 12  17 6  o 148.7275 3.579581 1084.290       52.11105 1040.688       76.28296 1122.442       71.35583 145.4654 5.366694 151.1472 4.829264 -5.681824      7.219640 
1 1 1 12  17 7  o 241.9434 4.925697 2873.574       116.6508 2767.290       163.5851 2983.532       166.3889 236.9452 7.061133 246.0719 6.914916 -9.126663      9.883100 
1 1 1 12  17 8  o 207.4881 5.000110 2113.714       101.5498 2314.000       190.4374 2034.134       120.0408 216.1403 9.021237 203.3083 6.038779 12.83199       10.85585 
1 1 1 12  17 9  o 190.8461 4.730090 1787.732       88.36066 1626.000       150.3282 1873.105       109.2197 181.2319 8.497885 195.1359 5.724367 -13.90399      10.24609 
1 1 1 12  17 10 o 63.00163 3.455995 195.1510       21.23071 143.8000       55.87843 203.8145       22.95189 52.80600 11.16055 64.37180 3.657695 -11.56580      11.74464 
1 1 1 12  17 11 o 82.99516 3.273087 338.1395       26.53775 216.5000       61.54065 365.9257       29.41301 65.35724 9.931866 86.32593 3.488086 -20.96869      10.52657 
1 1 1 12  17 12 o 122.4262 3.865588 735.8484       46.26488 600.8000       80.72894 801.8939       56.45549 110.0959 7.536665 127.7357 4.522449 -17.63978      8.789418 
1 1 1 12  17 13 o 62.63219 4.030313 193.2474       24.57714 59.87000       53.05278 229.6927       27.73244 36.09254 12.41464 68.29153 4.168588 -32.19898      13.09582 
1 1 1 12  17 14 o 123.5604 3.800317 749.6025       45.90804 626.9000       81.48759 806.6552       55.56517 112.4472 7.445421 128.1074 4.437911 -15.66022      8.667719 
1 1 1 12  17 15 f 177.3452 3.900069 1543.098       67.70146 1374.000       130.9063 1604.841       79.10162 166.4849 8.056952 180.7882 4.470016 -14.30328      9.213876 
1 1 1 12  17 16 o 140.0614 3.422488 962.0655       46.92095 883.8000       94.89674 987.3906       53.98111 133.5680 7.286020 141.7973 3.892949 -8.229279      8.260819 
1 1 1 12  17 17 o 129.9566 3.339340 828.8358       42.44292 682.4000       83.61917 879.6549       49.26012 117.2696 7.321265 133.8349 3.764016 -16.56528      8.232177 
1 1 1 12  17 18 o 119.9497 3.878945 707.0382       45.48283 631.7000       77.97298 745.8932       55.99639 112.8211 7.096648 123.0963 4.655780 -10.27516      8.487562 
1 1 1 12  17 19 o 88.38667 3.113592 383.6263       26.89527 287.0000       56.90132 411.4242       30.51972 75.69148 7.791299 91.50659 3.413374 -15.81511      8.506202 
1 1 1 12  17 20 o 148.1778 3.527190 1077.820       51.15857 1106.000       104.8785 1069.021       58.60347 149.2288 7.201306 147.4441 4.064472 1.784668       8.269144 
1 1 1 12  17 21 o 119.2799 3.234653 698.8005       37.73114 661.6000       76.38276 710.8077       43.39525 115.3579 6.794687 120.2368 3.691588 -4.878967      7.732761 
1 1 1 12  17 22 o 88.34137 3.125734 383.5374       26.98593 383.9000       57.46376 383.4348       30.56613 87.72492 6.743859 88.27731 3.544615 -0.5523911     7.618657 
1 1 1 12  17 23 o 109.6891 3.176759 591.3372       34.07190 657.2000       72.18253 572.4555       38.64842 114.9079 6.443459 107.8465 3.666499 7.061447       7.413594 
1 1 1 12  17 24 o 36.93475 5.084264 68.64314       17.89385 0.000000       0.000000 68.64314       17.89385 ?        ?        36.93475 5.084264 ?              ?        
1 1 1 12  17 25 o 127.5645 3.333546 800.7039       41.58821 716.8000       79.05565 832.8081       48.90165 119.6795 6.776178 129.9833 3.847762 -10.30376      7.792423 
1 1 1 12  17 26 o 66.89402 3.348564 220.7088       21.85591 307.2000       48.25371 198.3852       24.51472 78.23874 6.355588 63.30864 3.976093 14.93010       7.496854 
1 1 1 12  17 27 o 107.4340 3.222733 568.4417       33.85174 759.8000       74.32025 518.3487       38.02525 123.2324 6.181088 102.4607 3.798054 20.77170       7.254726 
1 1 1 12  17 28 o 56.84535 4.049866 160.4456       22.38659 215.0000       42.39811 139.3568       26.36078 65.09938 6.751621 52.70961 5.175988 12.38977       8.507363 
1 1 1 12  17 29 o 86.76460 3.228170 371.4416       27.36826 432.0000       54.69321 351.2128       31.61049 92.66303 6.063355 84.22217 3.844550 8.440865       7.179474 
1 1 1 12  17 30 o 105.9104 3.288055 553.6463       34.04532 662.0000       69.70095 519.6949       39.01628 114.5984 6.237263 102.4324 3.898485 12.16608       7.355381 
1 1 1 12  17 31 o 54.35587 5.906418 150.0116       30.92048 109.4000       39.71693 212.5000       49.26638 45.11042 9.303873 63.91413 8.053355 -18.80371      12.30523 
1 1 1 12  17 32 o 50.82187 3.952001 128.7496       19.50514 140.2448       26.47124 115.0945       28.85102 52.71842 5.197391 47.33402 6.390109 5.384399       8.236890 
1 1 1 12  17 33 o 23.28424 6.989621 28.04377       17.19989 10.38229       22.55277 52.59792       26.59186 19.35523 7.780935 31.29049 8.474721 -11.93526      11.50495 
1 1 1 12  17 34 o 29.24445 6.258444 44.89745       17.37380 28.88007       23.13324 65.62131       26.31334 24.16723 8.200615 34.99918 7.872209 -10.83195      11.36757 
1 1 1 12  17 35 o 49.14957 4.124662 121.0148       19.66044 117.3401       26.62813 125.4188       29.15094 47.86047 5.802406 49.36395 6.167221 -1.503471      8.467734 
1 1 1 12  17 36 o 40.95190 4.776835 85.18213       18.78872 90.90414       25.63090 78.53591       27.62337 41.71762 6.487565 38.26995 7.641876 3.447674       10.02431 
1 1 1 12  17 37 o 27.32024 6.822069 40.04563       18.18708 38.72110       27.07453 41.13476       24.55107 27.01728 8.865489 27.57637 8.366682 -0.5590916     12.19009 
1 1 1 12  17 38 o 22.65380 7.305701 26.71591       18.42837 1.277625       26.91191 49.17541       25.28720 18.62530 8.052889 29.81145 8.340200 -11.18615      11.59344 
1 1 1 12  17 39 f 37.21333 6.450711 73.67683       22.64587 86.27000       41.44742 68.31755       27.03855 38.11868 10.68246 35.09230 8.043955 3.026375       13.37237 
1 1 1 12  17 40 o 60.82688 3.799575 185.8989       22.50932 181.9096       30.87842 190.4227       32.88192 59.41297 5.367503 60.66378 5.600801 -1.250816      7.757516 
1 1 1 12  17 41 f 29.20201 6.702788 46.42228       18.75286 42.59287       25.76391 50.73708       27.34803 27.59812 8.607030 29.86994 8.775964 -2.271822      12.29221 
1 1 1 12  17 42 o 49.83307 4.680075 127.1483       22.56127 147.1146       29.11507 97.14000       35.69347 53.09536 5.690836 41.05983 9.118477 12.03554       10.74859 
1 1 1 12  17 43 o 28.14035 6.860559 43.61824       18.72355 61.53895       26.54323 25.86968       26.41543 32.85337 8.263074 23.11148 8.655021 9.741892       11.96611 
1 1 1 12  17 44 f 28.76790 8.825012 47.81078       27.21566 47.81078       27.21566 0.000000       0.000000 28.76790 8.825012 ?        ?        ?              ?        
1 1 1 12  17 45 o 27.27021 7.116834 41.55327       19.19535 58.26973       27.80122 26.32413       26.53564 31.57536 8.711827 23.08323 8.668376 8.492130       12.28970 
1 1 1 12  17 46 o 14.84102 6.547365 -2.023142      18.58572 -11.63906      26.71215 7.000293       25.87613 16.20205 7.430115 18.81157 8.009897 -2.609522      10.92543 
1 1 1 12  17 47 o 14.10277 6.332697 -5.113621      18.19286 22.91166       26.76662 -29.17714      24.80266 22.12876 8.606591 13.52243 6.488322 8.606325       10.77830 
1 1 1 12  17 48 o 47.05699 4.735698 114.8751       21.51663 117.5780       30.93674 112.3427       29.94567 46.09428 7.083085 45.09059 7.012735 1.003689       9.967374 
1 1 1 12  17 49 o 21.44696 7.567975 24.27377       19.78313 18.19616       29.66527 29.14142       26.54861 21.58663 8.833109 23.45853 8.697894 -1.871904      12.39666 
1 1 1 12  17 50 o 50.24821 4.722330 131.1444       22.95422 126.8615       32.50433 135.4051       32.42016 47.70230 7.184109 49.55323 6.868449 -1.850929      9.939165 
1 1 1 12  17 51 o 29.94923 7.176334 51.02305       20.76204 53.06032       29.99724 49.14966       28.76542 29.49236 9.300159 28.53697 9.120219 0.9553890      13.02580 
1 1 1 12  17 52 o 47.52082 5.362556 119.6801       24.50862 91.94160       31.92335 159.5000       38.24871 39.36419 8.531852 53.06738 7.578476 -13.70319      11.41165 
1 1 1 12  17 53 o 35.67850 6.452263 70.49432       21.70407 42.86493       31.41042 95.73988       30.02484 26.72910 9.525811 40.68199 7.824093 -13.95289      12.32711 
1 1 1 12  17 54 o 17.57471 7.227989 10.08280       19.99214 -20.85690      30.43114 33.57613       26.51749 15.99810 7.533213 24.19070 8.736512 -8.192600      11.53585 
1 1 1 12  17 55 f 31.78609 6.967970 58.17382       21.08031 62.39341       32.88659 55.23086       27.46475 30.87018 9.738173 29.70488 8.812247 1.165300       13.13346 
1 1 1 12  18 0  o 40.43097 7.386678 83.03325       28.15588 95.04000       44.42094 74.97000       36.40240 42.92478 10.62896 38.18402 9.716990 4.740765       14.40120 
1 1 1 12  18 1  o 75.53379 3.982288 280.5632       29.33885 259.9262       40.96321 302.3000       42.04056 72.49002 5.822026 78.24832 5.524436 -5.758301      8.025919 
1 1 1 12  18 2  o 174.4681 3.911959 1492.645       66.80618 1475.922       96.89875 1507.796       92.23045 173.2022 5.723418 175.1165 5.387135 -1.914322      7.859945 
1 1 1 12  18 3  o 99.97061 3.929058 490.8481       38.37253 480.2873       51.52491 504.0000       57.49921 98.73846 5.351193 101.0922 5.835628 -2.353783      7.917690 
1 1 1 12  18 4  o 152.8261 3.664608 1145.055       54.81904 1026.461       77.60430 1263.171       77.44759 144.4355 5.499204 160.3258 4.941024 -15.89035      7.392900 
1 1 1 12  18 5  o 71.87740 4.292779 254.3544       30.06450 259.6208       43.41034 249.5000       41.67782 72.39304 6.185387 70.97565 6.056971 1.417389       8.657130 
1 1 1 12  18 6  o 136.7357 4.994893 919.2834       66.73966 1027.000       105.9833 848.5000       85.91356 144.1241 7.538891 131.1092 6.716950 13.01483       10.09714 
1 1 1 12  18 7  o 81.97273 4.074953 330.4143       32.59376 0.000000       0.000000 330.4143       32.59376 ?        ?        81.97273 4.074953 ?              ?        
1 1 1 12  18 8  o 99.89658 4.618883 490.8888       45.04190 0.000000       0.000000 490.8888       45.04190 ?        ?        99.89658 4.618883 ?              ?        
1 1 1 12  18 9  o 73.97071 3.701600 268.9840       26.71611 0.000000       0.000000 268.9840       26.71611 ?        ?        73.97071 3.701600 ?              ?        
1 1 1 12  18 10 o 56.27948 7.299343 158.7880       39.26424 193.8000       57.10835 127.4000       54.07201 61.77011 9.769855 49.58624 11.38179 12.18387       14.99984 
1 1 1 12  18 11 o 89.44991 3.804524 393.1775       33.23483 295.6000       64.92992 427.8184       38.68695 76.77388 8.799033 93.26932 4.248755 -16.49544      9.771126 
1 1 1 12  18 12 o 100.1835 3.190398 492.5079       31.24591 407.5000       69.29525 514.2026       35.00670 90.46322 7.905074 102.3415 3.499715 -11.87829      8.645125 
1 1 1 12  18 13 o 51.17924 3.526086 129.0612       17.55620 58.58000       52.24043 138.0349       18.64035 35.71518 12.31784 52.92753 3.619832 -17.21236      12.83870 
1 1 1 12  18 14 f 66.23549 3.237008 215.6178       20.92298 120.0000       55.12256 231.7128       22.61547 48.00265 11.81310 68.65666 3.375593 -20.65401      12.28593 
1 1 1 12  18 15 o 166.3978 3.761629 1358.700       61.26744 1283.000       123.4741 1383.426       70.56752 160.7930 7.869073 167.7824 4.300416 -6.989380      8.967491 
1 1 1 12  18 16 o 101.0847 3.083914 501.4992       30.47794 417.9000       67.20723 523.1429       34.19645 91.58411 7.564433 103.2152 3.389382 -11.63106      8.289063 
1 1 1 12  18 17 o 38.87479 4.002617 74.99316       15.01322 65.39000       47.61388 76.05332       15.82024 36.41895 11.74302 39.12502 4.196471 -2.706070      12.47032 
1 1 1 12  18 18 o 65.56021 4.187973 212.0652       26.73459 178.5000       51.42916 224.4940       31.29534 59.16054 9.178409 67.38245 4.775843 -8.221905      10.34659 
1 1 1 12  18 19 o 203.5349 4.300433 2037.090       85.67564 2013.000       171.5241 2045.098       98.89651 200.6646 8.753752 203.7762 4.958169 -3.111603      10.06040 
1 1 1 12  18 20 o 94.28728 3.146218 436.7979       28.99610 396.2000       62.75107 447.8196       32.69606 89.02740 7.264059 95.42605 3.506399 -6.398643      8.066064 
1 1 1 12  18 21 o 69.93104 3.247054 240.6398       22.16555 267.4000       53.03214 234.9754       24.39894 72.90545 7.540130 69.05538 3.622334 3.850067       8.365098 
1 1 1 12  18 22 o 67.09875 3.289106 221.7071       21.53640 235.2000       50.84865 218.7576       23.77407 68.19749 7.754940 66.60088 3.660927 1.596611       8.575632 
1 1 1 12  18 23 o 132.5401 3.405623 864.2295       44.14586 838.5000       88.91929 872.6459       50.85617 129.4549 7.043856 133.0751 3.908512 -3.620224      8.055580 
1 1 1 12  18 24 o 31.64175 5.771985 51.19844       17.21840 0.000000       0.000000 51.19844       17.21840 ?        ?        31.64175 5.771985 ?              ?        
1 1 1 12  18 25 o 116.9318 3.278440 673.1895       37.48672 610.3000       73.93633 694.9498       43.49120 110.2068 6.888430 118.7002 3.747903 -8.493347      7.842018 
1 1 1 12  18 26 o 109.8198 3.770525 595.3867       40.47102 0.000000       0.000000 595.3867       40.47102 ?        ?        109.8198 3.770525 ?              ?        
1 1 1 12  18 27 o 68.05389 3.798958 229.2926       25.20557 240.5000       50.32206 225.5392       29.12209 68.55133 7.628645 67.35119 4.442247 1.200142       8.827785 
1 1 1 12  18 28 o 74.90907 4.503995 279.2570       32.87214 0.000000       0.000000 279.2570       32.87214 ?        ?        74.90907 4.503995 ?              ?        
1 1 1 12  18 29 f 80.74669 3.740439 322.9109       29.48302 404.1000       55.49110 290.9774       34.80148 89.38521 6.384406 76.38407 4.677092 13.00114       7.914279 
1 1 1 12  18 30 o 77.35979 3.984871 297.1873       30.07251 289.1000       49.99514 301.7724       37.64398 75.24123 6.863874 77.64370 4.979416 -2.402473      8.479820 
1 1 1 12  18 31 o 25.12491 7.706343 32.64575       20.75414 49.00000       36.89250 25.07382       25.10303 30.81997 10.35628 23.55807 8.501342 7.261898       13.39871 
1 1 1 12  18 32 o 70.71080 3.444255 247.7743       23.76725 273.7532       32.53515 218.0469       34.80330 74.01315 4.512388 65.70026 5.461198 8.312897       7.084231 
1 1 1 12  18 33 o 42.26628 4.787996 90.33912       19.46012 81.16717       27.27491 99.84939       27.77338 39.19370 7.380242 43.83738 6.683687 -4.643681      9.956889 
1 1 1 12  18 34 o 74.76845 3.432353 277.3522       25.05281 290.5893       34.65387 262.8591       36.26078 76.10136 4.674703 72.16771 5.167397 3.933647       6.968130 
1 1 1 12  18 35 o 24.29063 7.198202 31.10945       18.33331 28.79770       26.18422 33.33262       25.67764 24.45443 8.699196 25.57670 8.640102 -1.122272      12.26081 
1 1 1 12  18 36 o 33.89781 5.931100 60.11052       18.96305 56.21284       27.64248 63.57545       26.06280 31.91274 8.639352 34.14762 7.947130 -2.234879      11.73862 
1 1 1 12  18 37 o 39.92709 5.226784 82.08430       19.93718 85.47437       29.19580 79.12209       27.29131 39.64611 7.801354 38.21814 7.563240 1.427971       10.86571 
1 1 1 12  18 38 o 25.12647 8.617933 33.07144       25.55970 0.000000       0.000000 33.07144       25.55970 ?        ?        25.12647 8.617933 ?              ?        
1 1 1 12  18 39 o 30.53205 6.525399 50.25423       18.91000 42.09703       27.05682 58.04342       26.43943 27.57876 8.848422 32.13324 8.335844 -4.554483      12.15652 
1 1 1 12  18 40 o 15.82327 6.682259 3.420763       17.76066 23.63102       25.21762 -16.47126      25.01829 22.53071 8.452570 15.23644 7.059756 7.294266       11.01300 
1 1 1 12  18 41 o 86.43620 3.720486 375.0976       31.40389 400.3112       39.67468 332.8000       51.38710 88.72670 4.583821 79.21803 6.689570 9.508675       8.109363 
1 1 1 12  18 42 o 81.21194 3.449908 330.3133       27.36171 324.6532       37.39802 336.8329       40.13767 79.65698 4.818975 80.93908 5.092068 -1.282097      7.010826 
1 1 1 12  18 43 o 17.46092 7.521316 2.740590       23.30528 -2.116174      26.20718 21.10000       50.95375 17.54259 7.755393 25.98245 11.15567 -8.439863      13.58658 
1 1 1 12  18 44 o 15.42483 6.667033 0.9250931      18.43467 -15.86179      26.57442 16.49657       25.59432 15.71385 7.279233 20.73527 8.305066 -5.021425      11.04361 
1 1 1 12  18 45 o 16.27090 6.915919 3.929909       19.23186 43.61298       26.44891 -40.59000      28.01446 27.41588 8.743480 13.65970 6.636632 13.75618       10.97695 
1 1 1 12  18 46 o 25.93170 7.188210 37.97327       18.87814 14.80405       26.84181 60.65160       26.55594 20.47622 8.393172 32.17340 8.358173 -11.69718      11.84502 
1 1 1 12  18 47 o 17.05342 6.955595 8.999000       18.32153 17.14407       26.37145 1.399458       25.47301 20.80052 8.395602 17.66647 7.733525 3.134052       11.41462 
1 1 1 12  18 48 o 22.76340 7.543018 28.64470       19.58301 4.761747       28.41196 50.25906       27.02889 18.97427 8.238730 29.01574 8.773551 -10.04147      12.03544 
1 1 1 12  18 49 o 16.67136 7.004396 6.128381       19.35535 10.35588       28.66560 2.586019       26.24013 19.93552 8.457301 18.02281 7.870193 1.912708       11.55274 
1 1 1 12  18 50 o 40.67538 5.550377 88.25461       21.52249 54.80624       29.55864 125.9989       31.39950 29.97249 9.197506 47.70234 6.927113 -17.72985      11.51430 
1 1 1 12  18 51 o 30.24474 7.505186 52.84281       22.11282 41.32811       28.62274 69.89000       34.82661 26.42200 9.117511 33.16090 9.944004 -6.738899      13.49119 
1 1 1 12  18 52 o 44.10343 5.223117 102.8982       22.11086 94.54489       31.39801 111.1161       31.14250 40.12193 8.269965 44.25442 7.453980 -4.132484      11.13347 
1 1 1 12  18 53 f 63.83302 4.070587 209.0890       25.30113 246.9205       37.19690 176.5147       34.51575 67.98664 5.640272 56.83281 6.310845 11.15383       8.464008 
1 1 1 12  18 54 o 40.35599 5.576448 88.03527       21.43976 106.1989       32.26741 73.67789       28.68804 42.36010 8.076882 34.75288 8.503991 7.607212       11.72834 
1 1 1 12  18 55 o 20.31081 8.735816 12.38038       31.34935 17.67000       39.20126 2.996000       52.21442 22.34260 9.689492 22.51436 10.34817 -0.1717625     14.17642 
1 1 1 12  19 0  f 52.43171 4.027975 135.6359       20.51389 100.6371       37.56782 150.5050       24.48680 44.32354 8.967473 55.18710 4.574078 -10.86356      10.06667 
1 1 1 12  19 1  o 230.6203 6.734120 2621.564       151.8516 2586.000       216.5030 2656.000       213.0400 228.1770 9.715857 231.3485 9.427553 -3.171478      13.53797 
1 1 1 12  19 2  o 178.9982 4.662946 1573.919       81.62918 1559.381       101.8701 1600.000       136.4457 177.9793 5.855482 179.8900 7.767318 -1.910675      9.727174 
1 1 1 12  19 3  o 102.8336 3.334589 518.8958       33.52039 494.4756       53.32183 534.8524       43.10228 100.1590 5.459517 104.3227 4.229769 -4.163734      6.906321 
1 1 1 12  19 4  o 65.22422 5.212651 210.3299       33.00251 183.4000       58.03607 223.2000       40.12093 59.96389 10.25621 67.07001 6.180812 -7.106129      11.97465 
1 1 1 12  19 5  f 138.2144 3.990730 937.8755       53.93331 838.3000       98.08617 981.0283       64.57075 130.0883 7.738021 141.2796 4.675725 -11.19122      9.040983 
1 1 1 12  19 6  o 214.5502 6.258111 2267.837       131.2847 0.000000       0.000000 2267.837       131.2847 ?        ?        214.5502 6.258111 ?              ?        
1 1 1 12  19 7  o 148.4750 4.338799 1082.903       62.98875 927.7000       106.1758 1167.191       78.24508 136.7963 7.963923 154.0283 5.197242 -17.23195      9.509752 
1 1 1 12  19 8  o 94.55020 4.097751 439.4947       37.83397 412.2000       72.36517 449.7619       44.38298 90.93314 8.218837 95.57632 4.759138 -4.643181      9.497298 
1 1 1 12  19 9  o 144.9576 4.163497 1032.100       59.01405 854.1000       100.4460 1125.931       72.92801 131.2267 7.855917 151.3015 4.930892 -20.07471      9.275188 
1 1 1 12  19 10 o 62.12277 4.135752 190.2378       25.00526 208.3000       57.41615 186.0102       27.77793 64.12093 9.429411 61.36566 4.659362 2.755276       10.51777 
1 1 1 12  19 11 o 64.89086 3.307244 207.0000       20.93733 202.0000       56.67933 207.7900       22.53093 63.10014 9.468631 64.99258 3.555218 -1.892433      10.11408 
1 1 1 12  19 12 o 16.73820 6.290000 10.16037       13.97710 -42.98000      48.80119 14.90901       14.58824 21.04476 9.788279 18.52375 6.501919 2.521015       11.75097 
1 1 1 12  19 13 o 153.3727 3.584516 1154.079       53.81270 1112.000       110.7884 1167.072       61.56273 149.7304 7.583938 154.1239 4.084364 -4.393524      8.613834 
1 1 1 12  19 14 o 120.3903 3.268743 711.3920       38.48365 580.2000       78.84616 752.4193       44.09239 108.0194 7.503791 123.7732 3.643374 -15.75377      8.341526 
1 1 1 12  19 15 o 140.9087 3.434040 974.1989       47.36410 914.1000       97.71138 992.6572       54.15136 135.6813 7.385152 142.1331 3.895989 -6.451843      8.349802 
1 1 1 12  19 16 o 101.8481 3.138241 509.3039       31.24835 415.4000       67.61452 534.8079       35.23722 91.20957 7.643681 104.3345 3.455152 -13.12489      8.388322 
1 1 1 12  19 17 o 70.73315 3.228202 246.0087       22.29172 149.6000       53.35379 266.3974       24.53590 53.68155 10.53028 73.59198 3.415477 -19.91043      11.07034 
1 1 1 12  19 18 f 71.55501 3.252647 251.8312       22.72198 150.8000       54.10389 273.4664       25.03693 53.80257 10.65058 74.55026 3.440315 -20.74769      11.19243 
1 1 1 12  19 19 o 59.36723 3.700610 173.8665       21.39741 66.19000       49.83001 198.2098       23.69302 36.56716 12.02876 63.38444 3.836808 -26.81728      12.62585 
1 1 1 12  19 20 o 60.94623 3.433216 183.0743       20.39833 145.7000       50.88938 190.2287       22.26529 52.83603 10.20941 62.09756 3.679586 -9.261532      10.85225 
1 1 1 12  19 21 o 58.90240 3.432319 171.1115       19.70341 132.6000       50.37547 178.0672       21.40895 50.15729 10.59342 60.06084 3.659008 -9.903549      11.20754 
1 1 1 12  19 22 o 121.1059 3.298153 721.5475       39.06050 747.5000       83.67779 714.3170       44.16786 122.1599 7.027684 120.4053 3.752192 1.754585       7.966636 
1 1 1 12  19 23 o 133.0830 3.424742 871.9818       44.57543 776.6000       87.65383 905.2531       51.76937 124.3058 7.235270 135.4789 3.907950 -11.17319      8.223211 
1 1 1 12  19 24 o 88.28149 3.903723 385.0756       33.64958 450.0000       62.14887 358.1494       40.02364 94.58827 6.757090 84.91607 4.835253 9.672203       8.308907 
1 1 1 12  19 25 o 91.04789 3.208263 408.4861       28.54741 517.2000       65.19997 382.7018       31.75283 101.3999 6.605011 88.02566 3.693457 13.37427       7.567549 
1 1 1 12  19 26 o 50.97065 4.815569 130.0358       23.74077 0.000000       0.000000 130.0358       23.74077 ?        ?        50.97065 4.815569 ?              ?        
1 1 1 12  19 27 o 120.0500 3.329321 711.1065       39.08450 737.0000       82.44257 703.5997       44.38994 120.5612 7.016467 119.2656 3.807324 1.295601       7.982890 
1 1 1 12  19 28 o 100.3896 3.868243 499.2258       37.93980 435.2000       65.53085 531.5078       46.53162 92.29414 7.313548 103.3305 4.612215 -11.03631      8.646416 
1 1 1 12  19 29 o 70.83514 4.262714 249.8666       29.41894 230.4000       52.72185 258.6684       35.45138 66.44886 8.285321 71.82191 5.075469 -5.373047      9.716323 
1 1 1 12  19 30 o 99.35649 3.386459 488.2266       32.88615 459.0000       65.41889 498.1100       38.04240 94.66628 7.111947 100.1934 3.886395 -5.527130      8.104557 
1 1 1 12  19 31 o 69.69872 4.277567 242.3883       29.04229 259.6000       52.15325 234.6519       34.96529 70.70536 7.657776 68.23454 5.276076 2.470825       9.299382 
1 1 1 12  19 32 o 111.3683 3.920346 616.3901       42.66920 612.9000       72.92473 618.2070       52.61619 109.3694 6.846313 111.0862 4.850663 -1.716850      8.390526 
1 1 1 12  19 33 o 70.99947 3.484966 250.2646       24.14520 294.6473       34.55577 207.9241       33.75138 76.64923 4.627367 64.03661 5.435967 12.61263       7.138786 
1 1 1 12  19 34 o 30.80313 6.348986 50.05109       18.50610 52.02172       26.60829 48.20472       25.75568 30.89054 8.522863 29.79696 8.445678 1.093580       11.99869 
1 1 1 12  19 35 o 60.15309 3.828689 180.8989       22.42613 178.6617       31.54226 183.1859       31.89130 59.11959 5.514338 59.87411 5.503113 -0.7545204     7.790519 
1 1 1 12  19 36 o 14.79534 6.406807 -0.6321398     17.08685 -3.174446      25.12582 1.555162       23.30562 17.33561 7.631659 17.53824 7.537588 -0.2026291     10.72648 
1 1 1 12  19 37 o 24.04894 8.502997 29.23368       24.98333 0.000000       0.000000 29.23368       24.98333 ?        ?        24.04894 8.502997 ?              ?        
1 1 1 12  19 38 o 22.41069 7.184598 26.48065       17.84072 36.06796       24.91982 16.39975       25.55328 25.82795 8.506943 21.01339 8.337277 4.814556       11.91127 
1 1 1 12  19 39 o 29.48837 6.628900 47.24017       18.66714 15.33187       25.70301 82.85661       27.15547 20.74402 8.317860 38.90160 7.401908 -18.15758      11.13441 
1 1 1 12  19 40 o 38.15302 5.728616 76.67567       20.73351 75.82651       26.12693 78.12000       34.07421 37.08159 7.456931 36.52380 9.457286 0.5577888      12.04351 
1 1 1 12  19 41 o 23.05709 7.200615 28.75472       18.02552 14.57724       24.76736 44.72178       26.28406 20.27272 8.152541 28.06302 8.684054 -7.790295      11.91120 
1 1 1 12  19 42 o 21.98577 8.069612 23.76441       22.75301 11.24353       25.51641 72.36000       50.26903 19.69619 8.139653 33.81031 12.05064 -14.11412      14.54207 
1 1 1 12  19 43 o 13.84917 6.196876 -4.806574      17.25371 -0.2381324     25.14906 -8.868832      23.71491 17.46412 7.663456 15.65964 7.111757 1.804471       10.45493 
1 1 1 12  19 44 o 25.17248 7.225743 35.50063       18.73554 35.65156       26.83758 35.35714       26.16725 25.32327 8.823741 25.21005 8.716808 0.1132183      12.40327 
1 1 1 12  19 45 o 55.67622 4.110137 158.2540       22.24127 128.0525       30.54760 192.3260       32.44598 48.50383 6.605698 60.41815 5.548295 -11.91432      8.626635 
1 1 1 12  19 46 o 21.50996 7.522061 24.53490       19.51351 23.76589       26.03888 25.52000       29.47130 22.15787 8.523486 23.02573 9.009211 -0.8678665     12.40225 
1 1 1 12  19 47 o 22.21034 7.471448 26.87458       19.20143 14.20502       26.87287 40.09037       27.44605 20.30793 8.368937 26.28870 8.932253 -5.980762      12.24027 
1 1 1 12  19 48 o 31.26246 6.667408 54.47404       19.77970 23.55992       27.03127 90.10409       29.01992 22.21191 8.646184 39.68770 7.748377 -17.47579      11.61007 
1 1 1 12  19 49 o 18.28169 7.206585 13.46611       18.97892 29.93798       26.63005 -3.536268      27.05549 23.59247 8.717847 17.29264 7.747149 6.299828       11.66273 
1 1 1 12  19 50 o 20.50142 7.667402 20.69683       20.71676 26.20984       27.24504 13.14000       31.89793 22.76367 8.728335 21.02895 8.921289 1.734724       12.48092 
1 1 1 12  19 51 o 68.67361 3.819964 240.1311       25.57648 211.4250       34.45013 275.3852       38.17759 63.00038 5.646333 72.14824 5.446221 -9.147858      7.844896 
1 1 1 12  19 52 o 23.69530 7.534733 32.18369       19.65327 57.61186       28.47458 9.049469       27.15984 30.57373 8.947295 19.18427 8.188535 11.38947       12.12873 
1 1 1 12  19 53 o 29.13396 7.088305 49.01696       20.01841 37.28397       28.99770 59.69981       27.66959 25.12033 9.127014 31.09796 8.732924 -5.977629      12.63196 
1 1 1 12  19 54 o 33.15602 6.491141 62.06102       20.31204 68.87061       30.36722 56.54777       27.32427 32.91644 9.113951 30.05050 8.756435 2.865942       12.63880 
1 1 1 12  20 0  o 197.7651 4.245465 1919.542       82.18285 1877.342       117.6364 1959.774       114.8615 195.1799 6.165176 199.4827 5.888960 -4.302811      8.525800 
1 1 1 12  20 1  o 84.30481 4.667736 350.0881       38.36775 398.5000       67.03255 326.5000       46.79039 89.49322 7.727890 81.24202 5.924687 8.251198       9.737669 
1 1 1 12  20 2  o 303.7823 5.968877 4541.992       177.4848 4363.648       246.8245 4732.941       255.3980 296.7838 8.505305 309.1213 8.448696 -12.33749      11.98836 
1 1 1 12  20 3  f 214.5323 5.177704 2262.149       108.7267 2066.000       183.6459 2368.008       134.9126 203.8755 9.226497 219.1823 6.294931 -15.30678      11.16935 
1 1 1 12  20 4  o 222.5345 6.582392 2442.699       143.2220 2172.000       192.8013 2776.000       213.9364 208.9585 9.450814 236.3546 9.265236 -27.39609      13.23490 
1 1 1 12  20 5  o 132.4324 5.017248 863.0994       64.92023 770.9000       94.38047 945.9000       89.44071 124.6564 7.773707 138.3726 6.622797 -13.71617      10.21234 
1 1 1 12  20 6  o 207.0826 6.336302 2114.618       128.2845 2150.000       185.2263 2082.000       177.8424 207.9789 9.120831 204.7342 8.895622 3.244690       12.74055 
1 1 1 12  20 7  f 233.0720 4.780282 2668.861       109.0561 2501.000       214.0154 2727.736       126.7462 224.0544 9.782125 235.4827 5.498822 -11.42830      11.22172 
1 1 1 12  20 8  o 67.04275 4.335919 221.6104       28.30113 112.4000       60.37928 252.3596       32.03857 46.53077 12.83894 71.53013 4.600305 -24.99936      13.63822 
1 1 1 12  20 9  o 55.54030 4.458974 152.4818       24.03742 142.5000       52.35440 155.1480       27.05790 52.53831 10.54739 55.95734 4.992422 -3.419029      11.66926 
1 1 1 12  20 10 o 172.0959 3.840573 1453.568       64.69529 1361.000       129.2006 1484.545       74.74035 165.5688 7.995872 173.7894 4.397183 -8.220612      9.125195 
1 1 1 12  20 11 o 108.3550 3.186283 576.2596       33.75728 463.4000       71.49868 608.6346       38.29422 96.46038 7.634785 111.3253 3.518672 -14.86493      8.406604 
1 1 1 12  20 12 o 95.74831 3.126855 450.0705       29.26592 359.7000       64.68137 473.3339       32.81731 84.83327 7.879518 98.16497 3.420616 -13.33170      8.589960 
1 1 1 12  20 13 o 110.5529 3.194319 599.9978       34.53020 548.9000       74.61184 613.9249       38.95275 105.0446 7.301966 111.7880 3.564447 -6.743385      8.125515 
1 1 1 12  20 14 f 89.02673 3.421759 389.5335       29.76232 0.000000       0.000000 389.5335       29.76232 ?        ?        89.02673 3.421759 ?              ?        
1 1 1 12  20 15 o 37.01987 4.120590 68.18180       14.67864 -2.841000      46.21485 76.15053       15.48022 24.52446 10.57793 39.15125 4.100222 -14.62679      11.34480 
1 1 1 12  20 16 o 137.0949 3.886718 924.4152       52.10410 0.000000       0.000000 924.4152       52.10410 ?        ?        137.0949 3.886718 ?              ?        
1 1 1 12  20 17 o 17.88480 5.989703 14.88575       12.34167 -56.47000      46.76720 20.22700       12.79525 19.21935 9.135061 20.11558 6.026317 -0.8962269     10.94376 
1 1 1 12  20 18 o 34.11091 4.630157 58.36814       15.06073 12.08000       47.20046 63.61504       15.89141 26.70051 11.05580 35.63010 4.668800 -8.929594      12.00118 
1 1 1 12  20 19 o 85.80794 3.178180 362.1542       26.64778 272.5000       59.06562 385.0661       29.85929 73.25710 8.388273 88.44490 3.455708 -15.18780      9.072213 
1 1 1 12  20 20 o 116.4247 3.248407 666.6703       36.98257 595.2000       76.24264 688.6604       42.29100 108.9471 7.189696 118.2531 3.658068 -9.306038      8.066796 
1 1 1 12  20 21 f 64.95216 3.362200 208.0354       21.30309 169.4000       52.29681 215.7217       23.32611 56.97077 9.727062 66.10554 3.618745 -9.134766      10.37839 
1 1 1 12  20 22 o 22.66983 6.656916 26.15047       15.73921 0.000000       0.000000 26.15047       15.73921 ?        ?        22.66983 6.656916 ?              ?        
1 1 1 12  20 23 o 57.95712 3.511651 166.0439       19.82813 254.4000       51.79420 150.8712       21.46317 70.67181 7.607011 55.15115 4.003129 15.52066       8.596026 
1 1 1 12  20 24 o 98.33898 3.630735 477.4859       34.88833 442.2000       67.77145 490.2089       40.69493 93.30358 7.483353 99.49877 4.187826 -6.195190      8.575457 
1 1 1 12  20 25 o 58.04358 4.486143 167.9365       25.29019 0.000000       0.000000 167.9365       25.29019 ?        ?        58.04358 4.486143 ?              ?        
1 1 1 12  20 26 o 110.8528 3.744853 607.8477       40.57549 0.000000       0.000000 607.8477       40.57549 ?        ?        110.8528 3.744853 ?              ?        
1 1 1 12  20 27 o 136.7938 5.009145 933.7789       66.95798 0.000000       0.000000 933.7789       66.95798 ?        ?        136.7938 5.009145 ?              ?        
1 1 1 12  20 28 o 19.85722 8.201877 7.707699       25.88954 0.000000       0.000000 7.707699       25.88954 ?        ?        19.85722 8.201877 ?              ?        
1 1 1 12  20 29 o 70.94326 4.097908 250.5612       28.33528 0.000000       0.000000 250.5612       28.33528 ?        ?        70.94326 4.097908 ?              ?        
1 1 1 12  20 30 o 63.47509 4.379999 201.4099       27.04659 0.000000       0.000000 201.4099       27.04659 ?        ?        63.47509 4.379999 ?              ?        
1 1 1 12  20 31 o 71.45756 5.105817 257.2100       35.47712 0.000000       0.000000 257.2100       35.47712 ?        ?        71.45756 5.105817 ?              ?        
1 1 1 12  20 32 f 41.22250 5.537041 87.09161       21.77732 93.15000       37.19456 83.93141       26.86323 41.11441 9.441702 39.88614 7.142982 1.228264       11.83925 
1 1 1 12  20 33 o 60.61488 4.279295 184.2495       25.22652 235.4000       44.12069 159.4062       30.74831 67.40147 6.779537 55.83210 5.706579 11.56936       8.861555 
1 1 1 12  20 34 o 70.73551 4.064188 250.5275       28.02112 277.4000       48.05454 236.6830       34.49209 73.01278 6.802288 68.25790 5.201679 4.754883       8.563211 
1 1 1 12  20 35 o 80.11945 3.950013 321.4459       30.88174 402.9000       53.26050 280.1919       37.90373 88.30344 6.201426 74.13958 5.257165 14.16386       8.129911 
1 1 1 12  20 36 o 15.95939 6.780422 2.537528       18.47119 -10.33000      28.10901 12.31676       24.50476 17.18668 7.780307 19.93740 8.076513 -2.750723      11.21442 
1 1 1 12  20 37 o 49.91624 4.641701 127.0255       22.41919 146.3000       34.24424 112.5671       29.65887 52.44728 6.832792 45.93696 6.801310 6.510323       9.640792 
1 1 1 12  20 38 o 26.06843 7.460992 37.42623       20.00359 21.69000       30.90647 48.77038       26.24128 23.12119 9.170517 29.36086 8.588399 -6.239670      12.56419 
1 1 1 12  20 39 o 55.97997 5.065579 161.3427       27.45662 145.8000       37.35825 179.6000       40.48953 51.64779 7.618197 57.59627 7.349122 -5.948479      10.58520 
1 1 1 12  20 40 o 69.86713 4.083928 246.8495       27.80734 216.6000       42.63502 269.2434       36.68364 63.51873 6.971836 72.25330 5.222145 -8.734570      8.710757 
1 1 1 12  20 41 o 28.66046 9.022971 47.44545       28.24677 28.27000       33.30941 96.54000       53.29800 24.53580 9.584357 38.18066 12.43321 -13.64486      15.69856 
1 1 1 12  20 42 o 31.49595 7.076450 55.15142       21.28249 22.96000       33.65112 76.61118       27.47527 23.48449 9.482092 36.80231 7.865695 -13.31783      12.31987 
1 1 1 12  20 43 o 33.73237 6.715169 62.58935       21.39250 70.41000       33.94138 57.43505       27.55452 34.03533 9.711430 31.27951 8.689562 2.755816       13.03151 
1 1 1 12  20 44 o 26.84105 7.642218 41.22437       21.04082 7.217000       32.44142 65.91665       27.64355 20.39137 8.829011 33.50229 8.436129 -13.11091      12.21146 
1 1 1 12  20 45 o 32.17790 8.460622 61.23152       26.99635 0.000000       0.000000 61.23152       26.99635 ?        ?        32.17790 8.460622 ?              ?        
1 1 1 12  20 46 o 15.11374 6.701382 -2.551984      19.70934 -15.34000      30.44799 6.670819       25.85762 16.82124 7.792045 18.65921 7.977792 -1.837963      11.15173 
1 1 1 12  20 47 f 27.87702 8.135545 45.61209       23.57074 57.61000       33.66155 34.07000       33.01594 30.38792 9.879818 25.09020 9.611396 5.297722       13.78368 
1 1 1 12  20 48 o 35.17098 6.829480 69.10368       22.66357 73.78000       35.64808 65.93133       29.36123 34.08985 10.02061 32.99105 8.892172 1.098797       13.39714 
1 1 1 12  20 49 o 24.25280 8.246327 33.42216       23.39311 70.00000       33.65981 -0.7510000     32.53458 33.39743 9.714992 19.10261 8.531199 14.29482       12.92913 
1 1 1 12  20 50 o 15.42942 7.190472 -16.02067      26.53796 0.000000       0.000000 -16.02067      26.53796 ?        ?        15.42942 7.190472 ?              ?        
1 1 1 12  20 51 o 16.72915 7.543855 -4.959706      26.12736 0.000000       0.000000 -4.959706      26.12736 ?        ?        16.72915 7.543855 ?              ?        
1 1 1 12  20 52 o 16.53563 7.431998 -3.636729      25.12171 0.000000       0.000000 -3.636729      25.12171 ?        ?        16.53563 7.431998 ?              ?        
1 1 1 12  20 53 o 28.36603 8.752049 50.14902       26.72034 0.000000       0.000000 50.14902       26.72034 ?        ?        28.36603 8.752049 ?              ?        
1 1 1 12  21 0  o 261.5883 6.059242 3370.397       155.1468 3264.000       268.5904 3423.674       190.0619 255.4697 10.76513 263.1413 7.386345 -7.671661      13.05550 
1 1 1 12  21 1  o 150.1624 4.203331 1107.838       61.72107 939.9000       108.9746 1187.154       74.89112 137.5556 8.129842 155.3378 4.931710 -17.78226      9.508738 
1 1 1 12  21 2  o 210.5599 6.331771 2187.157       130.3507 2080.000       184.0508 2295.000       184.6381 204.4242 9.221866 214.9091 8.795876 -10.48492      12.74403 
1 1 1 12  21 3  o 224.2551 5.362593 2474.001       117.7127 2249.000       197.8633 2597.261       146.4480 212.4323 9.539989 229.3989 6.528717 -16.96660      11.56008 
1 1 1 12  21 4  o 62.54641 3.600419 192.5475       21.94939 141.2000       56.00072 201.8675       23.85837 52.14543 11.29868 64.02457 3.824475 -11.87914      11.92841 
1 1 1 12  21 5  o 173.7869 5.525665 1488.072       93.87621 1433.000       135.4344 1539.000       130.2399 169.8634 8.169549 176.2271 7.567955 -6.363602      11.13622 
1 1 1 12  21 6  o 95.69462 3.226630 449.5847       30.18015 321.1000       65.90605 483.6765       33.94881 80.00314 8.548440 99.23378 3.500576 -19.23064      9.237416 
1 1 1 12  21 7  o 123.3807 3.881544 747.9695       46.81847 736.8000       87.57973 752.4386       55.39880 121.8296 7.378793 123.6532 4.585025 -1.823524      8.687292 
1 1 1 12  21 8  o 97.79606 3.773143 470.1271       36.05083 355.6000       67.20009 516.4075       42.71834 84.27206 8.252338 102.4429 4.269523 -18.17084      9.291389 
1 1 1 12  21 9  o 90.03292 3.527051 398.3631       31.02260 0.000000       0.000000 398.3631       31.02260 ?        ?        90.03292 3.527051 ?              ?        
1 1 1 12  21 10 o 189.9862 4.115478 1773.127       76.53296 1596.000       149.3034 1836.257       89.13407 178.9528 8.548354 193.2268 4.712704 -14.27397      9.761349 
1 1 1 12  21 11 o 135.9143 3.425715 907.1133       45.53826 782.6000       91.88888 947.6493       52.42946 125.4169 7.519688 138.8576 3.861192 -13.44068      8.453077 
1 1 1 12  21 12 o 31.08821 5.113191 48.83089       15.01898 22.36000       46.25217 51.95105       15.87948 28.18824 11.20614 32.06604 5.240045 -3.877804      12.37076 
1 1 1 12  21 13 f 48.39722 3.590602 115.6495       16.88843 67.13000       47.20084 122.7730       18.08573 36.62562 11.68030 49.85627 3.733147 -13.23064      12.26237 
1 1 1 12  21 14 o 67.75241 3.102319 225.7401       20.51934 272.1000       54.36844 218.0398       22.15803 73.57745 7.661186 66.55043 3.412926 7.027023       8.387004 
1 1 1 12  21 15 o 174.1656 3.883977 1491.372       66.21331 1265.000       125.7774 1578.157       77.87814 158.9971 8.108558 179.0353 4.443965 -20.03818      9.246488 
1 1 1 12  21 16 o 50.70805 3.510782 126.9481       17.31798 138.5000       50.59682 125.4151       18.43123 51.44346 10.40605 50.36634 3.765849 1.077118       11.06651 
1 1 1 12  21 17 o 20.14782 5.933202 20.44572       12.48799 -52.30000      46.11917 26.20144       12.97262 19.30618 9.145776 22.57986 5.829582 -3.273680      10.84570 
1 1 1 12  21 18 o 143.5267 4.747461 1018.138       66.60432 0.000000       0.000000 1018.138       66.60432 ?        ?        143.5267 4.747461 ?              ?        
1 1 1 12  21 19 o 67.67192 3.228312 225.6308       21.32239 181.1000       53.78931 233.9328       23.22510 58.99336 9.648289 68.87533 3.456031 -9.881969      10.24859 
1 1 1 12  21 20 o 81.36958 3.162761 326.0326       25.14241 257.0000       58.24828 341.8394       27.87268 70.80207 8.579704 83.27797 3.426660 -12.47590      9.238687 
1 1 1 12  21 21 o 17.45108 6.231162 13.09583       13.44658 -4.280000      44.89420 14.80824       14.09360 23.64927 10.31132 18.23483 6.391484 5.414446       12.13155 
1 1 1 12  21 22 o 141.8242 3.537969 991.1507       49.11462 912.8000       98.43624 1017.122       56.67301 134.3181 7.517101 143.4671 4.039711 -9.148987      8.533819 
1 1 1 12  21 23 o 49.41502 4.186934 121.5997       20.06124 105.2000       53.32306 124.3036       21.65201 43.74284 12.06377 49.90383 4.480227 -6.160984      12.86884 
1 1 1 12  21 24 o 62.51482 4.252069 194.4175       25.86407 0.000000       0.000000 194.4175       25.86407 ?        ?        62.51482 4.252069 ?              ?        
1 1 1 12  21 25 o 15.18449 6.502970 -0.4524255E-01 17.23303 0.000000       0.000000 -0.4524255E-01 17.23303 ?        ?        15.18449 6.502970 ?              ?        
1 1 1 12  21 26 o 57.10973 5.300898 164.2869       29.29410 0.000000       0.000000 164.2869       29.29410 ?        ?        57.10973 5.300898 ?              ?        
1 1 1 12  21 27 o 58.04424 4.248675 168.1349       23.97177 0.000000       0.000000 168.1349       23.97177 ?        ?        58.04424 4.248675 ?              ?        
1 1 1 12  21 28 o 95.93531 3.804511 456.6929       35.65509 0.000000       0.000000 456.6929       35.65509 ?        ?        95.93531 3.804511 ?              ?        
1 1 1 12  21 29 o 59.18881 4.356134 175.2505       25.06074 0.000000       0.000000 175.2505       25.06074 ?        ?        59.18881 4.356134 ?              ?        
1 1 1 12  21 30 o 65.57358 4.170875 214.7575       26.63211 0.000000       0.000000 214.7575       26.63211 ?        ?        65.57358 4.170875 ?              ?        
1 1 1 12  21 31 o 57.85155 4.306018 167.7523       24.20869 158.5000       38.98985 173.5569       30.88269 54.97195 7.436654 58.43837 5.462254 -3.466423      9.227136 
1 1 1 12  21 32 o 36.33384 6.029945 68.75642       20.69379 108.3000       34.49274 46.51937       25.86594 44.86551 8.154610 29.28290 8.515769 15.58262       11.79050 
1 1 1 12  21 33 o 61.83788 3.808258 191.1393       22.93904 225.1727       33.65615 161.6136       31.34808 66.55384 5.207808 56.06590 5.795690 10.48794       7.791745 
1 1 1 12  21 34 o 37.16021 5.629459 71.82870       19.83573 41.79499       28.35656 100.6057       27.75697 27.78328 9.070349 43.61850 6.716431 -15.83523      11.28635 
1 1 1 12  21 35 o 20.82174 7.673417 19.80619       20.60781 19.41000       36.34398 19.99393       25.01850 23.90497 9.778827 21.76146 8.358981 2.143505       12.86460 
1 1 1 12  21 36 o 29.78850 7.268123 48.71965       21.00161 19.97000       35.48852 64.21458       26.05352 23.75311 9.683394 33.96801 7.973459 -10.21490      12.54369 
1 1 1 12  21 37 o 21.01164 7.561068 21.35364       19.84052 14.26000       33.50146 25.18564       24.62305 22.27555 9.276602 22.81520 8.391212 -0.5396557     12.50871 
1 1 1 12  21 38 o 14.01746 6.461556 -12.71644      20.56702 -24.94000      32.31771 -4.396000      26.66337 16.66624 7.821217 17.42620 7.756645 -0.7599583     11.01531 
1 1 1 12  21 39 o 50.80966 4.991745 133.1319       24.50576 92.63000       38.94073 159.6895       31.53266 39.32545 10.07280 55.13063 5.936814 -15.80518      11.69218 
1 1 1 12  21 40 o 14.43524 6.891573 -29.83286      27.22701 -19.68000      32.72209 -52.68000      49.08659 17.24257 8.018234 18.71981 9.019372 -1.477234      12.06819 
1 1 1 12  21 41 f 28.17558 7.503837 44.77083       21.06318 40.31000       34.80924 47.34767       26.45640 27.03869 9.971416 28.59798 8.687053 -1.559284      13.22475 
1 1 1 12  21 42 o 21.32642 7.623599 23.12311       20.13350 1.639000       33.71632 35.02955       25.09993 20.02404 8.826874 25.10313 8.541766 -5.079086      12.28314 
1 1 1 12  21 43 o 21.07699 7.661949 22.43916       20.43913 31.14000       33.60807 17.33221       25.74803 24.77600 9.641783 20.76935 8.326126 4.006643       12.73924 
1 1 1 12  21 44 o 26.72518 7.717330 41.09685       21.31150 -6.736000      33.59829 73.29762       27.56686 18.70666 8.483437 35.51772 8.108308 -16.81106      11.73513 
1 1 1 12  21 45 o 40.37729 5.957739 87.84467       22.83989 86.53000       35.95769 88.73383       29.57164 37.35900 9.736050 39.24294 7.970854 -1.883934      12.58273 
1 1 1 12  21 46 o 33.04513 7.052104 61.60426       22.11527 84.41000       35.59570 47.26697       28.22337 36.78590 9.735481 28.04658 9.040804 8.739321       13.28592 
1 1 1 12  21 47 o 26.74379 7.846994 41.63310       21.87713 72.77000       34.72506 21.14086       28.17086 33.95066 9.865089 21.81231 8.720980 12.13835       13.16721 
1 1 1 12  21 48 o 15.41505 6.976632 -6.539115      22.58571 -27.87000      32.31586 13.83000       31.57893 15.98339 7.596024 21.05842 8.902552 -5.075027      11.70278 
1 1 1 12  21 49 o 26.33515 6.894557 39.45173       17.97766 45.09509       22.97074 30.53101       28.88056 27.64752 8.020631 23.81430 9.021110 3.833223       12.07108 
1 1 1 12  21 50 o 17.15317 6.825416 11.16152       17.17362 19.04758       21.88222 -1.486016      27.71177 20.19024 7.801190 17.68044 7.886306 2.509794       11.09290 
1 1 1 12  21 51 o 26.38818 8.913877 42.14862       27.33068 0.000000       0.000000 42.14862       27.33068 ?        ?        26.38818 8.913877 ?              ?        
1 1 1 12  21 52 o 19.77697 8.213006 14.43623       26.15453 0.000000       0.000000 14.43623       26.15453 ?        ?        19.77697 8.213006 ?              ?        
1 1 1 12  21 53 o 21.23964 8.454899 21.92075       26.36286 0.000000       0.000000 21.92075       26.36286 ?        ?        21.23964 8.454899 ?              ?        
1 1 1 12  22 0  o 59.92968 3.488942 176.8082       20.37792 178.5000       57.39476 176.5641       21.79811 58.94417 10.32376 59.86225 3.738810 -0.9180794     10.97993 
1 1 1 12  22 1  o 95.95831 3.689050 452.5801       34.58547 381.1000       70.81735 474.9688       39.63345 87.22520 8.398212 98.25443 4.130219 -11.02923      9.358883 
1 1 1 12  22 2  o 95.45226 4.775982 449.1321       44.48088 394.8000       70.24537 485.5000       57.47101 88.84161 8.169230 99.05958 5.954644 -10.21796      10.10911 
1 1 1 12  22 3  o 80.37849 3.215419 317.3886       25.24680 293.2000       64.45919 321.7717       27.43903 76.30252 8.791074 80.90732 3.472859 -4.604797      9.452182 
1 1 1 12  22 4  o 107.6480 3.211050 568.8939       33.79665 593.1000       78.34973 563.3602       37.46102 109.2098 7.372629 107.0826 3.579028 2.127190       8.195431 
1 1 1 12  22 5  o 219.9738 5.301901 2382.788       114.1587 2528.000       208.5625 2320.672       136.4070 224.8744 9.496616 216.6802 6.438623 8.194153       11.47352 
1 1 1 12  22 6  o 69.53395 4.071996 238.3167       27.59342 213.3000       58.51501 245.4704       31.29097 64.71471 9.521971 70.51121 4.558142 -5.796501      10.55673 
1 1 1 12  22 7  o 32.43008 7.432233 54.17666       23.08633 123.7000       50.60038 35.90000       25.94400 48.69316 10.88980 27.11163 8.661055 21.58153       13.91408 
1 1 1 12  22 8  o 173.7260 4.489534 1485.250       76.27955 1576.000       141.0066 1447.706       90.69610 177.8613 8.120807 171.3001 5.415902 6.561203       9.761122 
1 1 1 12  22 9  o 89.62218 3.135204 394.5560       27.46111 333.9000       64.25745 408.1094       30.37461 81.53033 8.161495 91.11983 3.411608 -9.589500      8.845850 
1 1 1 12  22 10 o 27.69975 5.693066 39.24218       14.91947 -45.29000      47.71391 48.40276       15.70708 20.43969 9.563474 30.89121 5.390599 -10.45152      10.97810 
1 1 1 12  22 11 o 87.55579 3.078728 376.6497       26.34426 304.3000       60.86718 393.3271       29.22326 77.73418 8.119115 89.44476 3.343743 -11.71057      8.780698 
1 1 1 12  22 12 o 44.21155 3.790307 96.76987       16.24462 47.30000       47.89283 103.2012       17.26830 32.71554 11.75056 45.65241 3.901747 -12.93687      12.38141 
1 1 1 12  22 13 o 61.48603 3.273624 186.1707       19.63104 121.2000       52.53763 196.7139       21.16402 47.88228 11.37839 63.18872 3.434694 -15.30645      11.88549 
1 1 1 12  22 14 o 75.87978 3.149395 283.2241       23.34072 171.5000       57.17308 305.5687       25.56846 57.29792 10.58383 78.79918 3.322402 -21.50126      11.09305 
1 1 1 12  22 15 o 94.28842 3.110442 437.1241       28.66764 361.1000       64.93066 455.5320       31.95036 84.57606 7.935961 96.21281 3.397966 -11.63675      8.632824 
1 1 1 12  22 16 o 20.09132 5.912776 20.36355       12.40549 8.350000       46.04065 21.30403       12.88192 25.77808 10.81497 20.53336 6.020499 5.244715       12.37781 
1 1 1 12  22 17 o 26.46463 5.257926 35.87368       13.14014 46.11000       46.71680 34.99427       13.69295 32.04570 11.59293 26.08811 5.533952 5.957588       12.84604 
1 1 1 12  22 18 o 53.23012 3.469218 140.0284       17.97722 119.9000       50.03882 143.0114       19.26333 47.30829 11.01283 53.76382 3.682693 -6.455536      11.61227 
1 1 1 12  22 19 o 17.99045 7.337202 6.668711       20.38508 11.19000       47.50076 5.648036       22.56904 26.35110 11.01539 18.53190 7.656492 7.819201       13.41494 
1 1 1 12  22 20 o 65.51426 3.331178 211.8523       21.29179 207.2000       56.10246 212.6351       23.01354 63.00452 9.382930 65.58944 3.598408 -2.584915      10.04927 
1 1 1 12  22 21 o 93.48422 3.658901 431.7202       33.41610 354.6000       68.22176 456.0632       38.32887 82.99035 8.519073 95.97781 4.089266 -12.98746      9.449693 
1 1 1 12  22 22 o 93.89590 3.630663 435.7693       33.30579 438.8000       72.06763 434.9462       37.55711 92.48453 8.040790 93.67911 4.105815 -1.194580      9.028400 
1 1 1 12  22 23 o 65.38686 3.747119 211.9481       23.88206 0.000000       0.000000 211.9481       23.88206 ?        ?        65.38686 3.747119 ?              ?        
1 1 1 12  22 24 o 55.53778 4.100327 153.6097       22.13298 0.000000       0.000000 153.6097       22.13298 ?        ?        55.53778 4.100327 ?              ?        
1 1 1 12  22 25 o 85.57628 4.566306 365.2010       38.11091 0.000000       0.000000 365.2010       38.11091 ?        ?        85.57628 4.566306 ?              ?        
1 1 1 12  22 26 o 39.30159 5.454008 78.81089       20.41660 0.000000       0.000000 78.81089       20.41660 ?        ?        39.30159 5.454008 ?              ?        
1 1 1 12  22 27 o 24.39702 7.342477 30.94664       18.96240 0.000000       0.000000 30.94664       18.96240 ?        ?        24.39702 7.342477 ?              ?        
1 1 1 12  22 28 o 48.74860 4.840901 119.8745       22.79422 0.000000       0.000000 119.8745       22.79422 ?        ?        48.74860 4.840901 ?              ?        
1 1 1 12  22 29 o 88.19167 3.348049 385.3762       28.84936 357.6000       61.48282 393.2184       32.66910 82.82880 7.670564 88.94379 3.760942 -6.114990      8.542964 
1 1 1 12  22 30 o 71.84640 3.579966 256.5900       25.09689 268.4000       54.76114 253.4500       28.23685 71.38917 7.972663 71.24554 4.065925 0.1436310      8.949587 
1 1 1 12  22 31 o 54.43049 4.880483 149.9925       25.72656 138.6000       49.15656 154.2901       30.19154 49.52716 10.46795 54.88416 5.702998 -5.356995      11.92066 
1 1 1 12  22 32 o 83.57021 4.090444 349.7068       33.35852 301.4000       58.96150 372.4492       40.45592 75.09902 8.151583 85.87151 4.832622 -10.77249      9.476420 
1 1 1 12  22 33 o 44.39494 6.661358 104.1216       28.05465 0.000000       0.000000 104.1216       28.05465 ?        ?        44.39494 6.661358 ?              ?        
1 1 1 12  22 34 o 24.79152 7.905467 33.01842       21.62249 -27.49000      39.23843 59.40499       25.91165 18.56814 8.682851 32.63660 8.139153 -14.06847      11.90117 
1 1 1 12  22 35 o 40.25803 5.992601 85.32257       22.89549 75.99000       40.29835 89.77099       27.82208 35.66810 10.69688 40.68880 7.251625 -5.020695      12.92321 
1 1 1 12  22 36 o 44.62638 6.095351 105.0817       25.93028 76.69000       39.33615 126.9000       34.48312 35.71926 10.53329 48.24039 7.550233 -12.52113      12.95980 
1 1 1 12  22 37 o 25.59585 8.131918 36.12510       22.89629 -0.7908000     36.02196 61.15000       29.65833 20.52231 9.081595 32.50367 9.009725 -11.98137      12.79260 
1 1 1 12  22 38 o 34.39788 5.551246 62.42825       18.05464 70.41239       23.63000 51.22982       27.98518 35.88528 6.978650 29.81071 8.908009 6.074575       11.31610 
1 1 1 12  22 39 o 13.18256 6.122273 -13.62160      18.98135 -20.18029      20.45394 27.07000       50.94726 12.93284 6.115917 26.72614 11.30362 -13.79330      12.85209 
1 1 1 12  22 40 o 20.77453 6.904579 22.70309       16.40520 11.16828       21.07820 40.42614       26.12749 18.47565 7.488318 26.66780 8.706572 -8.192158      11.48387 
1 1 1 12  22 41 o 43.50266 4.295814 97.00038       18.05376 75.44090       23.35370 129.0206       28.46091 37.15356 6.666637 49.22734 6.032517 -12.07378      8.990846 
1 1 1 12  22 42 o 15.11798 6.310219 4.691053       15.55331 7.752655       20.42496 0.4655455      23.99531 17.42236 7.248421 17.11190 7.497913 0.3104591      10.42873 
1 1 1 12  22 43 o 34.70359 5.048362 63.48290       16.64624 49.40966       20.69047 89.30874       28.02854 29.50299 7.223611 39.76817 7.474776 -10.26518      10.39485 
1 1 1 12  22 44 o 21.38177 6.649891 25.10357       15.39077 14.70362       18.81576 46.13088       26.75457 18.58455 7.219379 27.84587 8.783404 -9.261316      11.36959 
1 1 1 12  22 45 o 43.19532 7.448089 105.4192       30.35403 0.000000       0.000000 105.4192       30.35403 ?        ?        43.19532 7.448089 ?              ?        
1 1 1 12  22 46 o 21.98432 8.531497 23.34166       26.25653 0.000000       0.000000 23.34166       26.25653 ?        ?        21.98432 8.531497 ?              ?        
1 1 1 12  22 47 o 26.25987 9.750391 40.04000       33.38425 0.000000       0.000000 40.04000       33.38425 ?        ?        26.25987 9.750391 ?              ?        
1 1 1 12  22 48 o 28.31662 9.204740 48.95933       29.21931 0.000000       0.000000 48.95933       29.21931 ?        ?        28.31662 9.204740 ?              ?        
1 1 1 12  22 49 o 23.90695 9.610101 28.48000       34.40017 0.000000       0.000000 28.48000       34.40017 ?        ?        23.90695 9.610101 ?              ?        
1 1 1 12  22 50 o 22.60840 8.630848 26.90482       26.56271 0.000000       0.000000 26.90482       26.56271 ?        ?        22.60840 8.630848 ?              ?        
1 1 1 12  22 51 o 34.57243 8.427423 72.72617       28.25584 0.000000       0.000000 72.72617       28.25584 ?        ?        34.57243 8.427423 ?              ?        
1 1 1 12  22 52 o 55.03052 6.071614 166.5007       32.16195 0.000000       0.000000 166.5007       32.16195 ?        ?        55.03052 6.071614 ?              ?        
1 1 1 12  23 0  o 255.6190 5.949351 3225.714       148.8569 3789.000       291.0136 3026.108       173.2352 274.0941 10.86849 247.0013 7.172838 27.09279       13.02205 
1 1 1 12  23 1  o 102.0094 3.661921 511.6183       36.50483 474.6000       74.11085 523.4772       41.94644 97.43854 7.836459 103.1178 4.164371 -5.679298      8.874237 
1 1 1 12  23 2  o 105.4084 3.230211 545.7073       33.28892 413.1000       73.05789 580.4528       37.39663 90.73348 8.318568 108.6801 3.520055 -17.94662      9.032683 
1 1 1 12  23 3  o 70.66802 3.260047 245.5858       22.48958 216.8000       60.53413 250.1952       24.22336 65.09949 9.803761 71.30584 3.481108 -6.206345      10.40345 
1 1 1 12  23 4  o 133.0866 4.891942 873.3685       63.61833 891.4000       98.80676 860.6000       83.14621 133.7638 7.577422 131.7419 6.467581 2.021973       9.962276 
1 1 1 12  23 5  o 63.33564 6.075219 200.0095       37.20185 261.0000       59.94247 161.8000       47.44489 71.81564 8.704741 56.26321 8.911667 15.55243       12.45754 
1 1 1 12  23 6  o 84.61897 4.438855 353.2870       36.63731 0.000000       0.000000 353.2870       36.63731 ?        ?        84.61897 4.438855 ?              ?        
1 1 1 12  23 7  o 167.8478 3.806286 1384.513       62.53502 1319.000       128.5778 1404.811       71.57011 162.4594 8.111303 168.9166 4.332232 -6.457199      9.195731 
1 1 1 12  23 8  o 96.65793 3.596471 459.6278       33.96739 343.9000       67.09573 499.5091       39.38773 82.56248 8.420179 100.7087 4.003632 -18.14619      9.323545 
1 1 1 12  23 9  o 98.05013 3.775310 473.2758       36.16552 387.2000       69.37115 505.4016       42.38050 87.68960 8.176344 101.2442 4.286211 -13.55457      9.231695 
1 1 1 12  23 10 o 37.94428 4.417798 71.84555       16.10159 -27.05000      49.39930 83.60136       17.03173 22.54844 10.24968 40.98623 4.309772 -18.43780      11.11890 
1 1 1 12  23 11 o 91.25738 3.165973 409.4623       28.23730 291.6000       64.81465 437.0734       31.37093 75.68841 8.919670 94.25409 3.405929 -18.56568      9.547820 
1 1 1 12  23 12 o 72.78875 3.199578 260.7646       22.74054 167.2000       58.08762 277.7001       24.71305 56.38296 10.91974 75.09698 3.370589 -18.71402      11.42810 
1 1 1 12  23 13 o 78.62276 3.104678 304.1297       23.84605 264.4000       59.57473 311.7095       26.02154 72.00404 8.624124 79.56414 3.348740 -7.560097      9.251463 
1 1 1 12  23 14 o 28.14583 4.985384 40.30397       13.23204 95.85000       49.36892 36.00490       13.73455 42.37432 11.57670 26.48322 5.479144 15.89110       12.80785 
1 1 1 12  23 15 o 43.86485 3.739214 95.42804       15.90182 37.38000       50.11034 101.9282       16.76853 31.00115 11.84962 45.33274 3.814347 -14.33159      12.44841 
1 1 1 12  23 16 o 95.68356 3.176692 450.7119       29.71092 374.5000       68.00617 468.6899       33.02986 85.76338 8.200793 97.52143 3.465703 -11.75805      8.903040 
1 1 1 12  23 17 o 113.6472 3.227556 635.9838       35.86730 572.3000       78.57137 652.7480       40.31271 106.3304 7.599296 115.0553 3.583928 -8.724899      8.402014 
1 1 1 12  23 18 o 41.17003 4.007535 84.44487       15.94556 54.26000       51.30715 87.67208       16.77633 33.86967 12.16256 41.93187 4.141413 -8.062199      12.84832 
1 1 1 12  23 19 o 125.8073 4.090662 783.0057       50.30696 687.5000       87.58697 830.0237       61.45498 116.2704 7.740057 129.2483 4.866340 -12.97791      9.142742 
1 1 1 12  23 20 o 88.29585 3.218449 384.5618       27.76936 341.8000       67.93005 393.1416       30.42795 81.25848 8.674570 89.21539 3.491128 -7.956909      9.350730 
1 1 1 12  23 21 o 153.1562 5.021464 1169.081       75.17675 0.000000       0.000000 1169.081       75.17675 ?        ?        153.1562 5.021464 ?              ?        
1 1 1 12  23 22 o 81.87938 3.307472 331.2264       26.45344 333.6000       68.44672 330.8096       28.68213 79.90373 8.902455 81.75880 3.592795 -1.855072      9.600098 
1 1 1 12  23 23 o 99.56166 3.753559 491.0307       36.51432 0.000000       0.000000 491.0307       36.51432 ?        ?        99.56166 3.753559 ?              ?        
1 1 1 12  23 24 o 30.18147 7.661290 48.44615       22.66908 0.000000       0.000000 48.44615       22.66908 ?        ?        30.18147 7.661290 ?              ?        
1 1 1 12  23 25 o 56.12168 4.295638 157.4518       23.41808 0.000000       0.000000 157.4518       23.41808 ?        ?        56.12168 4.295638 ?              ?        
1 1 1 12  23 26 o 47.52626 4.698452 113.7628       21.57152 0.000000       0.000000 113.7628       21.57152 ?        ?        47.52626 4.698452 ?              ?        
1 1 1 12  23 27 o 101.4986 3.343351 510.0418       33.17073 476.4000       71.52003 519.2617       37.44121 95.76633 7.694425 102.2633 3.746783 -6.496986      8.558187 
1 1 1 12  23 28 o 66.30997 3.657094 218.7330       23.64483 229.8000       56.80210 216.4134       26.00498 65.36533 9.126363 65.83466 4.055164 -0.4693298     9.986733 
1 1 1 12  23 29 o 57.24175 4.814444 165.3725       26.72546 242.3000       56.06329 142.7503       30.40214 67.27901 8.717980 52.70955 5.999264 14.56947       10.58274 
1 1 1 12  23 30 o 46.20599 5.668001 109.8350       25.09874 87.08000       51.10781 117.0671       28.81248 38.50797 12.13878 47.43357 6.366264 -8.925610      13.70691 
1 1 1 12  23 31 f 35.92035 6.973066 68.97803       23.63290 54.66000       48.43353 73.45229       27.07481 31.99030 11.76816 36.75992 7.768203 -4.769625      14.10087 
1 1 1 12  23 32 o 26.25374 8.605041 36.92061       25.51021 0.000000       0.000000 36.92061       25.51021 ?        ?        26.25374 8.605041 ?              ?        
1 1 1 12  23 33 o 18.40334 6.741806 15.16757       15.86938 20.75419       20.66518 7.137776       24.77519 21.06049 7.696842 18.92600 7.936416 2.134481       11.05568 
1 1 1 12  23 34 o 33.64474 5.353179 59.17853       17.03925 43.66767       22.23575 81.24382       26.52093 28.04036 7.812065 38.62488 7.281794 -10.58452      10.67955 
1 1 1 12  23 35 o 42.97225 4.784603 94.91808       19.78430 93.11379       24.64273 98.19000       33.18467 41.90541 6.194161 41.79300 8.403617 0.1124191      10.43975 
1 1 1 12  23 36 f 29.22180 6.294040 46.19249       17.47059 26.21047       22.86585 74.21743       27.07946 22.74948 8.125336 36.44966 7.824007 -13.70018      11.27990 
1 1 1 12  23 37 o 55.08892 4.511165 155.0089       24.11249 158.4648       26.50259 138.4000       58.10083 55.48069 4.931563 45.93913 12.56218 9.541557       13.49550 
1 1 1 12  23 38 o 14.84132 6.291230 2.701961       15.84137 -20.28376      19.89853 42.48235       26.17739 12.68547 6.008821 27.30789 8.697306 -14.62243      10.57114 
1 1 1 12  23 39 o 18.25963 7.780895 5.566829       24.45078 0.000000       0.000000 5.566829       24.45078 ?        ?        18.25963 7.780895 ?              ?        
1 1 1 12  23 40 o 18.01954 7.706146 4.964708       24.13714 0.000000       0.000000 4.964708       24.13714 ?        ?        18.01954 7.706146 ?              ?        
1 1 1 12  23 41 o 27.14326 8.703936 42.96752       26.18299 0.000000       0.000000 42.96752       26.18299 ?        ?        27.14326 8.703936 ?              ?        
1 1 1 12  23 42 o 33.41489 8.604908 66.35747       28.31387 0.000000       0.000000 66.35747       28.31387 ?        ?        33.41489 8.604908 ?              ?        
1 1 1 12  23 43 o 38.38391 8.161658 85.84431       29.71959 0.000000       0.000000 85.84431       29.71959 ?        ?        38.38391 8.161658 ?              ?        
1 1 1 12  23 44 o 65.69066 5.813740 229.8577       36.99671 0.000000       0.000000 229.8577       36.99671 ?        ?        65.69066 5.813740 ?              ?        
1 1 1 12  23 45 o 25.77219 8.895168 38.74433       27.24429 0.000000       0.000000 38.74433       27.24429 ?        ?        25.77219 8.895168 ?              ?        
1 1 1 12  23 46 o 68.25159 7.132035 259.1000       46.94421 0.000000       0.000000 259.1000       46.94421 ?        ?        68.25159 7.132035 ?              ?        
1 1 1 12  23 47 o 30.30507 9.233045 56.74129       29.85662 0.000000       0.000000 56.74129       29.85662 ?        ?        30.30507 9.233045 ?              ?        
1 1 1 12  23 48 o 17.95201 7.895027 2.070978       26.82711 0.000000       0.000000 2.070978       26.82711 ?        ?        17.95201 7.895027 ?              ?        
1 1 1 12  23 49 o 29.95268 8.949270 55.48544       28.24644 0.000000       0.000000 55.48544       28.24644 ?        ?        29.95268 8.949270 ?              ?        
1 1 1 12  23 50 o 41.20446 9.516500 107.4000       37.60798 0.000000       0.000000 107.4000       37.60798 ?        ?        41.20446 9.516500 ?              ?        
1 1 1 12  23 51 o 20.92917 8.353007 20.95490       25.79744 0.000000       0.000000 20.95490       25.79744 ?        ?        20.92917 8.353007 ?              ?        
1 1 1 12  24 0  o 252.4044 7.308856 3171.155       180.3827 3229.000       261.9656 3119.000       248.7468 252.3569 10.62910 248.3116 10.25628 4.045319       14.77055 
1 1 1 12  24 1  o 141.9917 5.188803 996.1524       71.99548 1080.000       109.1606 931.6000       95.78047 147.0680 7.608880 136.7137 7.182656 10.35434       10.46354 
1 1 1 12  24 2  o 83.66845 3.176867 344.1668       25.97032 357.8000       65.92565 341.6625       28.25505 84.29335 8.089322 83.32640 3.471840 0.9669495      8.802886 
1 1 1 12  24 3  o 109.1379 4.702913 588.0436       50.12199 541.0000       78.02197 621.1000       65.40247 103.9013 7.726984 111.8706 5.994609 -7.969284      9.779654 
1 1 1 12  24 4  o 57.00331 4.360694 160.9068       24.14640 212.8000       56.13059 149.1229       26.74784 64.50043 9.146835 54.75165 5.047764 9.748775       10.44723 
1 1 1 12  24 5  o 52.55842 3.645859 136.4218       18.64009 137.9000       55.07431 136.2306       19.80917 51.10391 11.30954 52.48972 3.883040 -1.385815      11.95757 
1 1 1 12  24 6  o 53.99246 4.369477 144.5059       22.89524 233.7000       56.98299 127.3348       25.00214 67.70519 8.806902 50.53338 5.125487 17.17181       10.18981 
1 1 1 12  24 7  o 36.44839 6.106254 67.57523       21.01523 157.1000       55.77346 52.76175       22.68738 54.69470 10.80121 31.90950 7.406655 22.78520       13.09674 
1 1 1 12  24 8  o 63.75346 3.302404 200.2399       20.53796 197.8000       56.74724 200.6076       22.03149 61.86246 9.689391 63.78054 3.542904 -1.918079      10.31680 
1 1 1 12  24 9  o 125.1921 3.306632 770.7876       40.48450 854.6000       93.77673 751.5889       44.88245 130.6050 7.365337 123.5435 3.715733 7.061501       8.249537 
1 1 1 12  24 10 o 41.31452 5.787883 86.22240       22.76486 65.94000       53.19400 90.77000       25.18800 36.57321 12.43507 42.30051 6.273127 -5.727303      13.92778 
1 1 1 12  24 11 o 130.9196 3.399024 843.5028       43.52088 775.6000       94.22604 861.9169       49.06837 124.0787 7.797749 132.2525 3.794379 -8.173820      8.671921 
1 1 1 12  24 12 f 90.11453 3.142011 399.6597       27.67220 308.3000       65.83783 419.2622       30.49678 77.58900 8.825683 92.26025 3.382743 -14.67126      9.451753 
1 1 1 12  24 13 o 75.87247 3.233128 283.6262       23.95613 132.5000       60.39292 311.8459       26.09712 49.33512 12.49481 79.54337 3.359396 -30.20826      12.93854 
1 1 1 12  24 14 o 67.64464 3.172572 225.5567       20.94785 212.9000       58.99560 227.3826       22.40800 63.83592 9.750446 67.88542 3.382914 -4.049500      10.32063 
1 1 1 12  24 15 o 85.36787 3.140088 359.0085       26.19399 289.7000       63.66072 373.1340       28.73955 74.94623 8.848314 86.98842 3.381742 -12.04219      9.472531 
1 1 1 12  24 16 o 30.35961 4.848289 46.78966       13.92319 32.54000       52.56102 47.86502       14.43899 30.40051 11.99011 30.68637 4.977507 -0.2858620     12.98223 
1 1 1 12  24 17 o 47.62817 3.739985 112.6212       17.29595 96.67000       54.76422 114.3886       18.22896 42.00875 12.43892 47.97010 3.916318 -5.961349      13.04087 
1 1 1 12  24 18 o 23.83488 5.881805 29.52325       13.63731 42.22000       55.11088 28.69509       14.07504 32.10226 12.38662 23.49984 6.074858 8.602425       13.79610 
1 1 1 12  24 19 o 69.62514 3.614212 240.0206       24.54690 175.8000       61.23063 252.3182       26.79427 56.61330 11.44355 71.33601 3.851594 -14.72271      12.07434 
1 1 1 12  24 20 o 110.3114 4.260306 604.2266       45.91454 0.000000       0.000000 604.2266       45.91454 ?        ?        110.3114 4.260306 ?              ?        
1 1 1 12  24 21 o 77.48211 3.279629 296.7498       24.81699 250.5000       63.72113 305.0193       26.94446 68.55291 9.772600 78.49877 3.515635 -9.945862      10.38573 
1 1 1 12  24 22 o 20.76819 7.248233 20.03423       18.11336 0.000000       0.000000 20.03423       18.11336 ?        ?        20.76819 7.248233 ?              ?        
1 1 1 12  24 23 o 63.10852 4.855524 199.9224       29.76328 0.000000       0.000000 199.9224       29.76328 ?        ?        63.10852 4.855524 ?              ?        
1 1 1 12  24 24 o 52.84587 4.313323 139.8277       22.11762 0.000000       0.000000 139.8277       22.11762 ?        ?        52.84587 4.313323 ?              ?        
1 1 1 12  24 25 o 53.27213 4.310584 142.1524       22.28537 0.000000       0.000000 142.1524       22.28537 ?        ?        53.27213 4.310584 ?              ?        
1 1 1 12  24 26 f 53.89941 4.366191 145.7432       22.83820 0.000000       0.000000 145.7432       22.83820 ?        ?        53.89941 4.366191 ?              ?        
1 1 1 12  24 27 o 103.3832 3.350273 529.7403       33.85810 566.9000       74.85004 520.1808       37.96421 104.4975 7.364963 102.2618 3.799360 2.235733       8.287208 
1 1 1 12  24 28 o 76.85633 4.259569 295.7427       31.91902 241.2000       57.98869 319.4511       38.23197 66.76060 9.111475 79.58616 4.931989 -12.82556      10.36067 
1 1 1 12  24 29 o 80.14336 4.165729 321.8090       32.56654 292.0000       58.66290 335.0883       39.15413 73.89132 8.251485 81.40696 4.936921 -7.515640      9.615623 
1 1 1 12  24 30 o 30.91768 7.383397 51.97333       22.03579 42.65000       41.74289 55.57521       25.94550 29.11517 10.88479 31.70231 8.274369 -2.587141      13.67274 
1 1 1 12  24 31 o 29.18292 6.133292 45.39380       16.96237 20.26041       21.91143 82.98140       26.79585 21.23121 7.896208 39.20942 7.248799 -17.97821      10.71892 
1 1 1 12  24 32 o 36.78477 5.007426 69.94428       17.56205 63.28760       22.75439 79.75189       27.61963 34.12020 7.046572 38.09101 7.673363 -3.970802      10.41800 
1 1 1 12  24 33 o 33.37088 5.284333 58.20236       16.68663 49.26427       21.33451 72.28557       26.78003 29.86949 7.348340 36.08642 7.808737 -6.216928      10.72262 
1 1 1 12  24 34 o 29.15786 5.921623 45.50542       16.32308 40.48130       19.73107 56.40000       29.05535 27.04695 7.289225 31.26715 9.005545 -4.220203      11.58588 
1 1 1 12  24 35 o 20.65965 8.211915 16.29464       24.83386 0.000000       0.000000 16.29464       24.83386 ?        ?        20.65965 8.211915 ?              ?        
1 1 1 12  24 36 o 27.40959 11.52035 30.17000       52.38976 0.000000       0.000000 30.17000       52.38976 ?        ?        27.40959 11.52035 ?              ?        
1 1 1 12  24 37 o 45.57539 7.034957 113.3335       30.37418 0.000000       0.000000 113.3335       30.37418 ?        ?        45.57539 7.034957 ?              ?        
1 1 1 12  24 38 o 28.60551 8.561834 47.41919       25.83630 0.000000       0.000000 47.41919       25.83630 ?        ?        28.60551 8.561834 ?              ?        
1 1 1 12  24 39 o 48.76619 6.269359 127.5797       29.23445 0.000000       0.000000 127.5797       29.23445 ?        ?        48.76619 6.269359 ?              ?        
1 1 1 12  24 40 o 45.44929 6.801392 113.3070       29.32860 0.000000       0.000000 113.3070       29.32860 ?        ?        45.44929 6.801392 ?              ?        
1 1 1 12  24 41 o 61.60566 5.739521 201.5760       34.21187 0.000000       0.000000 201.5760       34.21187 ?        ?        61.60566 5.739521 ?              ?        
1 1 1 12  24 42 o 23.32213 8.644312 29.03478       26.21836 0.000000       0.000000 29.03478       26.21836 ?        ?        23.32213 8.644312 ?              ?        
1 1 1 12  24 43 o 17.30572 7.628606 0.1195123      25.18359 0.000000       0.000000 0.1195123      25.18359 ?        ?        17.30572 7.628606 ?              ?        
1 1 1 12  24 44 o 23.17073 8.676724 28.48451       26.54731 0.000000       0.000000 28.48451       26.54731 ?        ?        23.17073 8.676724 ?              ?        
1 1 1 12  24 45 o 21.68958 9.011485 17.92000       31.50814 0.000000       0.000000 17.92000       31.50814 ?        ?        21.68958 9.011485 ?              ?        
1 1 1 12  24 46 o 23.79092 10.70746 9.202000       52.34440 0.000000       0.000000 9.202000       52.34440 ?        ?        23.79092 10.70746 ?              ?        
1 1 1 12  24 47 o 14.69638 6.941835 -21.16012      26.20923 0.000000       0.000000 -21.16012      26.20923 ?        ?        14.69638 6.941835 ?              ?        
1 1 1 12  24 48 o 22.48725 8.630292 26.17452       26.65308 0.000000       0.000000 26.17452       26.65308 ?        ?        22.48725 8.630292 ?              ?        
1 1 1 12  24 49 o 24.15419 8.785474 33.80501       26.87807 0.000000       0.000000 33.80501       26.87807 ?        ?        24.15419 8.785474 ?              ?        
1 1 1 12  24 50 o 17.95940 7.791287 5.860292       25.36432 0.000000       0.000000 5.860292       25.36432 ?        ?        17.95940 7.791287 ?              ?        
1 1 1 12  24 51 o 15.02484 7.211635 -29.53000      30.69903 0.000000       0.000000 -29.53000      30.69903 ?        ?        15.02484 7.211635 ?              ?        
1 1 1 12  25 0  o 72.47177 3.781980 259.1265       26.73554 317.9000       62.48407 245.9548       29.58005 79.21377 8.175992 70.51577 4.306079 8.697998       9.240625 
1 1 1 12  25 1  o 103.8381 4.964697 533.8203       50.31478 559.7000       78.92290 516.1000       65.30694 105.4988 7.695673 101.6497 6.599349 3.849144       10.13779 
1 1 1 12  25 2  o 48.69456 7.036613 120.5338       32.56754 140.7000       56.31454 110.4000       39.92031 51.40722 11.48179 46.00355 9.187163 5.403664       14.70495 
1 1 1 12  25 3  o 73.10622 3.234414 263.1391       23.08765 293.6000       63.31599 258.4678       24.79482 75.90121 8.678134 72.41481 3.508501 3.486404       9.360534 
1 1 1 12  25 4  o 58.14524 4.285696 167.5492       24.22027 205.1000       58.95522 159.9246       26.56564 62.85418 9.910510 56.70251 4.832437 6.151669       11.02591 
1 1 1 12  25 5  o 57.98763 4.265698 166.6559       24.04260 212.7000       58.41983 157.2670       26.38021 64.11220 9.604540 56.21834 4.841060 7.893856       10.75561 
1 1 1 12  25 6  o 76.72924 3.227042 289.8975       24.18249 179.1000       60.30725 311.1262       26.39770 58.21034 10.98700 79.46746 3.401546 -21.25712      11.50151 
1 1 1 12  25 7  o 147.7374 3.571643 1074.116       51.64932 1080.000       111.9337 1072.525       58.21756 146.4207 7.838593 147.4614 4.037181 -1.040695      8.817163 
1 1 1 12  25 8  o 72.21021 3.282475 256.9512       23.14030 175.0000       61.08679 270.6812       25.00372 57.31993 11.28955 74.09096 3.457262 -16.77103      11.80706 
1 1 1 12  25 9  o 67.30104 4.255267 224.4132       27.88853 177.0000       62.55216 236.1760       31.15652 57.51423 11.51321 68.97067 4.642106 -11.45645      12.41383 
1 1 1 12  25 10 o 58.32583 3.466276 168.0450       19.70004 99.87000       57.11758 177.2500       20.98790 43.00420 12.69558 59.88659 3.596992 -16.88239      13.19531 
1 1 1 12  25 11 f 23.44909 6.028330 28.43683       13.91242 63.71000       53.14810 25.84204       14.41505 35.85890 12.42168 22.43765 6.304111 13.42125       13.92982 
1 1 1 12  25 12 o 101.2209 4.473869 507.7562       44.21659 530.2000       77.92889 497.1000       53.69710 102.1410 7.854858 99.82841 5.516739 2.312569       9.598604 
1 1 1 12  25 13 o 30.75505 5.043522 48.11731       14.65715 72.21000       54.27127 46.22176       15.22283 37.39275 12.56083 30.05883 5.371018 7.333914       13.66098 
1 1 1 12  25 14 o 57.06456 3.485334 161.0934       19.37496 44.72000       57.26211 176.1388       20.58935 32.93380 12.64722 59.66917 3.541148 -26.73537      13.13362 
1 1 1 12  25 15 o 120.3163 3.342717 713.9631       39.32866 609.6000       85.46758 741.9979       44.29719 109.1516 8.056316 122.5529 3.696946 -13.40130      8.864065 
1 1 1 12  25 16 o 113.6493 3.290301 637.2343       36.56378 605.3000       83.20374 644.8773       40.70477 108.7308 7.871073 114.2257 3.645286 -5.494881      8.674210 
1 1 1 12  25 17 o 35.92829 4.506277 65.03748       15.49983 -46.00000      54.74978 74.71223       16.16098 21.78918 10.21082 38.57834 4.355826 -16.78917      11.10109 
1 1 1 12  25 18 o 18.14654 6.275137 15.16201       13.56107 2.016000       53.06969 16.08037       14.02675 26.02612 11.28048 18.58933 6.383883 7.436792       12.96161 
1 1 1 12  25 19 o 46.30410 3.877267 106.8681       17.41202 55.78000       57.86847 111.9538       18.25811 34.25303 12.81383 47.37921 3.973539 -13.12618      13.41578 
1 1 1 12  25 20 o 45.38082 3.938680 102.7989       17.32253 122.8000       56.81950 100.7494       18.18840 46.45323 12.30291 44.86517 4.190167 1.588066       12.99689 
1 1 1 12  25 21 o 21.49682 6.818393 23.30699       16.10260 39.15000       54.64819 21.80065       16.85073 31.06506 12.23396 21.08407 6.997405 9.980988       14.09374 
1 1 1 12  25 22 o 45.23681 4.519938 102.9369       19.74617 0.000000       0.000000 102.9369       19.74617 ?        ?        45.23681 4.519938 ?              ?        
1 1 1 12  25 23 o 108.9922 3.798649 589.8463       40.46379 0.000000       0.000000 589.8463       40.46379 ?        ?        108.9922 3.798649 ?              ?        
1 1 1 12  25 24 o 72.74756 3.809262 263.3500       27.03023 0.000000       0.000000 263.3500       27.03023 ?        ?        72.74756 3.809262 ?              ?        
1 1 1 12  25 25 o 108.7159 3.421491 585.9902       36.36415 401.5000       73.57788 645.6186       41.82994 86.85311 8.774994 113.9696 3.754787 -27.11649      9.544577 
1 1 1 12  25 26 o 51.40131 4.135677 132.4902       20.63235 277.0000       57.55734 111.1831       22.10113 72.23695 8.290270 46.82758 4.893942 25.40936       9.627006 
1 1 1 12  25 27 o 107.8559 4.092709 581.3140       43.12929 499.3000       74.21587 623.1349       52.99684 97.28692 7.860441 111.1936 4.881166 -13.90664      9.252692 
1 1 1 12  25 28 o 39.00039 6.542107 80.25629       24.09074 94.92000       47.15607 75.07761       28.02368 40.07627 11.45070 37.09906 7.955855 2.977215       13.94325 
1 1 1 12  25 29 o 41.56557 5.501776 89.42527       21.83510 0.000000       0.000000 89.42527       21.83510 ?        ?        41.56557 5.501776 ?              ?        
1 1 1 12  25 30 o 15.17793 6.731777 -4.254380      19.90267 2.828000       36.03219 -7.363932      23.87536 21.24154 9.249971 16.15393 7.254102 5.087612       11.75517 
1 1 1 12  25 31 o 51.98835 3.815695 136.0798       19.28191 124.6339       24.97105 152.9826       30.34538 49.12134 5.276106 54.18236 5.812499 -5.061020      7.849996 
1 1 1 12  25 32 o 56.02853 5.890516 164.0855       31.82229 0.000000       0.000000 164.0855       31.82229 ?        ?        56.02853 5.890516 ?              ?        
1 1 1 12  25 33 o 44.35472 8.163993 110.0000       34.13881 0.000000       0.000000 110.0000       34.13881 ?        ?        44.35472 8.163993 ?              ?        
1 1 1 12  25 34 o 37.92456 7.989876 80.87669       28.72200 0.000000       0.000000 80.87669       28.72200 ?        ?        37.92456 7.989876 ?              ?        
1 1 1 12  25 35 o 19.54158 9.341136 -45.27000      50.35677 0.000000       0.000000 -45.27000      50.35677 ?        ?        19.54158 9.341136 ?              ?        
1 1 1 12  25 36 o 28.43906 8.978737 46.95776       27.95185 0.000000       0.000000 46.95776       27.95185 ?        ?        28.43906 8.978737 ?              ?        
1 1 1 12  25 37 o 26.71197 8.795622 40.83083       26.64049 0.000000       0.000000 40.83083       26.64049 ?        ?        26.71197 8.795622 ?              ?        
1 1 1 12  25 38 o 25.92277 8.645095 38.20051       25.71406 0.000000       0.000000 38.20051       25.71406 ?        ?        25.92277 8.645095 ?              ?        
1 1 1 12  25 39 o 38.16967 7.875482 83.46127       28.44740 0.000000       0.000000 83.46127       28.44740 ?        ?        38.16967 7.875482 ?              ?        
1 1 1 12  25 40 o 36.29826 8.272195 77.21751       28.73413 0.000000       0.000000 77.21751       28.73413 ?        ?        36.29826 8.272195 ?              ?        
1 1 1 12  25 41 o 19.03097 8.012647 9.814793       25.41283 0.000000       0.000000 9.814793       25.41283 ?        ?        19.03097 8.012647 ?              ?        
1 1 1 12  25 42 o 17.89942 7.820651 2.535037       25.94205 0.000000       0.000000 2.535037       25.94205 ?        ?        17.89942 7.820651 ?              ?        
1 1 1 12  25 43 o 44.27545 7.478724 111.3445       31.25808 0.000000       0.000000 111.3445       31.25808 ?        ?        44.27545 7.478724 ?              ?        
1 1 1 12  25 44 f 20.87024 8.822212 13.82000       31.00700 0.000000       0.000000 13.82000       31.00700 ?        ?        20.87024 8.822212 ?              ?        
1 1 1 12  25 45 o 27.54685 11.67031 40.65000       54.45814 0.000000       0.000000 40.65000       54.45814 ?        ?        27.54685 11.67031 ?              ?        
1 1 1 12  25 46 o 21.35664 8.584921 20.39372       27.45218 0.000000       0.000000 20.39372       27.45218 ?        ?        21.35664 8.584921 ?              ?        
1 1 1 12  25 47 o 19.66258 8.188436 13.15413       26.10283 0.000000       0.000000 13.15413       26.10283 ?        ?        19.66258 8.188436 ?              ?        
1 1 1 12  25 48 o 44.72660 7.182679 114.0560       30.38125 0.000000       0.000000 114.0560       30.38125 ?        ?        44.72660 7.182679 ?              ?        
1 1 1 12  25 49 o 20.60056 8.264247 19.63588       25.38528 0.000000       0.000000 19.63588       25.38528 ?        ?        20.60056 8.264247 ?              ?        
1 1 1 12  25 50 o 21.00257 8.322961 21.85256       25.43676 0.000000       0.000000 21.85256       25.43676 ?        ?        21.00257 8.322961 ?              ?        
1 1 1 12  26 0  o 43.59791 5.505179 95.76725       22.97046 97.21000       53.12794 95.43554       25.47461 42.51028 12.15674 43.36407 6.176023 -0.8537903     13.63560 
1 1 1 12  26 1  o 57.00751 4.618887 161.6613       25.55307 129.3000       56.37647 170.0288       28.66687 48.89016 11.89554 58.37996 5.066732 -9.489799      12.92964 
1 1 1 12  26 2  o 124.2739 3.934183 762.1279       47.79620 743.6000       89.91401 769.4255       56.42931 121.3951 7.605146 124.6705 4.632237 -3.275398      8.904823 
1 1 1 12  26 3  o 98.25047 3.739481 476.2769       35.89705 557.6000       75.17972 452.2605       40.85520 105.1501 7.350701 95.59406 4.377888 9.556023       8.555624 
1 1 1 12  26 4  o 63.48756 3.392956 198.9286       21.00839 183.4000       56.99802 201.3698       22.59949 59.00294 10.24035 63.83843 3.631663 -4.835491      10.86525 
1 1 1 12  26 5  o 77.20084 3.209442 293.6825       24.19967 287.1000       61.93137 294.8686       26.28979 74.78413 8.617887 77.31035 3.483053 -2.526222      9.295141 
1 1 1 12  26 6  o 43.46086 5.184446 94.97797       21.62060 104.3000       55.95994 93.34229       23.44081 43.79251 12.46129 42.95720 5.716588 0.8353081      13.70996 
1 1 1 12  26 7  o 52.57334 3.685090 136.8923       18.84346 30.96000       57.40271 149.6862       19.94894 31.06904 12.43981 54.97895 3.729020 -23.90991      12.98670 
1 1 1 12  26 8  o 88.36814 3.194815 384.7904       27.58877 326.5000       69.11845 395.8373       30.08968 79.49046 9.043896 89.58158 3.437950 -10.09112      9.675306 
1 1 1 12  26 9  o 67.55098 4.302740 226.5161       28.30216 114.4000       62.06308 255.9529       31.80132 45.51934 13.17733 71.76461 4.550625 -26.24527      13.94095 
1 1 1 12  26 10 o 70.59574 3.303844 245.9772       22.76658 150.8000       61.57943 261.0464       24.50268 52.35970 12.23640 72.70282 3.453020 -20.34312      12.71428 
1 1 1 12  26 11 o 97.81979 3.161732 471.6234       30.23341 497.2000       75.61813 466.7570       32.98449 98.66730 7.895562 97.24315 3.470896 1.424149       8.624790 
1 1 1 12  26 12 o 128.3990 3.433583 813.4707       43.11472 597.7000       88.72771 880.1667       49.33021 107.7906 8.477725 133.4485 3.780342 -25.65788      9.282393 
1 1 1 12  26 13 o 11.23585 5.156123 -9.024174      12.89299 27.90000       51.78354 -11.46438      13.31220 29.32771 11.79023 11.03428 5.125439 18.29343       12.85611 
1 1 1 12  26 14 o 69.02422 4.534161 237.5321       30.46443 171.8000       61.07858 259.3000       35.14863 55.84668 11.55471 71.98467 5.019866 -16.13800      12.59803 
1 1 1 12  26 15 o 30.91993 5.032737 48.81042       14.70835 36.86000       54.57316 49.74648       15.27354 30.99215 12.21931 31.18445 5.185799 -0.1922970     13.27419 
1 1 1 12  26 16 o 35.98526 4.552843 65.34443       15.67829 79.41000       55.55222 64.12713       16.34266 38.21492 12.70579 35.58034 4.816065 2.634579       13.58792 
1 1 1 12  26 17 o 69.19245 3.650732 237.4225       24.63800 131.8000       62.36309 256.9575       26.81980 47.91262 12.97887 71.94563 3.822135 -24.03301      13.52996 
1 1 1 12  26 18 o 65.82243 3.386010 214.6169       21.74234 228.0000       61.68110 212.7181       23.23363 65.02938 10.01094 65.46889 3.639895 -0.4395142     10.65213 
1 1 1 12  26 19 o 18.77222 6.191018 17.17129       13.19691 -7.672000      52.82626 18.82493       13.62905 24.66183 10.95109 19.48191 6.282770 5.179916       12.62535 
1 1 1 12  26 20 o 26.94142 6.310524 38.19839       16.34772 32.92000       52.90501 38.75558       17.18892 29.76694 11.93430 27.09839 6.552927 2.668550       13.61501 
1 1 1 12  26 21 o 70.12189 3.422614 243.8423       23.42091 286.1000       62.26681 236.8785       25.27718 73.41103 8.843324 69.01866 3.755738 4.392372       9.607806 
1 1 1 12  26 22 o 73.31398 3.825140 267.4962       27.35493 0.000000       0.000000 267.4962       27.35493 ?        ?        73.31398 3.825140 ?              ?        
1 1 1 12  26 23 o 71.61462 3.872391 255.6018       27.04386 0.000000       0.000000 255.6018       27.04386 ?        ?        71.61462 3.872391 ?              ?        
1 1 1 12  26 24 o 137.5569 4.104938 943.6776       55.20890 0.000000       0.000000 943.6776       55.20890 ?        ?        137.5569 4.104938 ?              ?        
1 1 1 12  26 25 o 68.56046 3.522218 233.9104       23.55798 286.6000       58.36192 223.6543       25.74890 73.34626 8.273351 66.89428 3.950035 6.451981       9.167939 
1 1 1 12  26 26 o 36.38857 7.248445 71.07443       24.91034 34.52000       49.36452 83.56276       28.85340 28.80559 11.53516 39.29705 7.776612 -10.49146      13.91170 
1 1 1 12  26 27 o 50.55847 5.326098 131.1410       25.96229 101.4000       48.88729 142.8236       30.64006 41.13003 11.62826 52.43006 6.083173 -11.30003      13.12331 
1 1 1 12  26 28 o 88.93061 3.884702 396.2847       33.73388 0.000000       0.000000 396.2847       33.73388 ?        ?        88.93061 3.884702 ?              ?        
1 1 1 12  26 29 f 36.62821 5.450994 70.03695       18.94866 37.78000       39.39104 79.74841       21.61365 27.52214 10.50943 38.95610 5.848664 -11.43395      12.02726 
1 1 1 12  26 30 o 56.05334 4.631951 160.1916       25.18727 139.9000       40.89713 172.5912       31.96968 49.96980 8.675955 57.59093 5.747933 -7.621132      10.40725 
1 1 1 12  26 31 o 40.06215 7.594070 88.51245       28.68977 0.000000       0.000000 88.51245       28.68977 ?        ?        40.06215 7.594070 ?              ?        
1 1 1 12  26 32 o 46.34034 7.892775 119.1000       34.51904 0.000000       0.000000 119.1000       34.51904 ?        ?        46.34034 7.892775 ?              ?        
1 1 1 12  26 33 f 32.09322 8.508401 59.30736       27.15795 0.000000       0.000000 59.30736       27.15795 ?        ?        32.09322 8.508401 ?              ?        
1 1 1 12  26 34 o 52.84745 11.93456 178.3000       60.27126 0.000000       0.000000 178.3000       60.27126 ?        ?        52.84745 11.93456 ?              ?        
1 1 1 12  26 35 o 44.34249 7.404857 108.9288       31.00720 0.000000       0.000000 108.9288       31.00720 ?        ?        44.34249 7.404857 ?              ?        
1 1 1 12  26 36 o 43.06975 7.348364 103.0781       29.86845 0.000000       0.000000 103.0781       29.86845 ?        ?        43.06975 7.348364 ?              ?        
1 1 1 12  26 37 o 40.18875 7.695023 91.25153       29.16855 0.000000       0.000000 91.25153       29.16855 ?        ?        40.18875 7.695023 ?              ?        
1 1 1 12  26 38 o 22.16328 8.564312 23.55617       26.37444 0.000000       0.000000 23.55617       26.37444 ?        ?        22.16328 8.564312 ?              ?        
1 1 1 12  26 39 o 31.68975 8.791169 60.49934       28.22441 0.000000       0.000000 60.49934       28.22441 ?        ?        31.68975 8.791169 ?              ?        
1 1 1 12  26 40 o 24.09809 8.704676 32.36037       26.32608 0.000000       0.000000 32.36037       26.32608 ?        ?        24.09809 8.704676 ?              ?        
1 1 1 12  26 41 o 53.27114 6.337969 154.2774       32.40105 0.000000       0.000000 154.2774       32.40105 ?        ?        53.27114 6.337969 ?              ?        
1 1 1 12  26 42 o 27.15088 9.107724 44.46019       28.53415 0.000000       0.000000 44.46019       28.53415 ?        ?        27.15088 9.107724 ?              ?        
1 1 1 12  26 43 o 58.00807 7.654635 191.7000       42.40325 0.000000       0.000000 191.7000       42.40325 ?        ?        58.00807 7.654635 ?              ?        
1 1 1 12  26 44 o 32.73227 12.47236 77.42000       55.40445 0.000000       0.000000 77.42000       55.40445 ?        ?        32.73227 12.47236 ?              ?        
1 1 1 12  26 45 o 24.90168 8.850491 36.26158       27.09742 0.000000       0.000000 36.26158       27.09742 ?        ?        24.90168 8.850491 ?              ?        
1 1 1 12  26 46 o 28.02483 8.989754 48.40300       27.92905 0.000000       0.000000 48.40300       27.92905 ?        ?        28.02483 8.989754 ?              ?        
1 1 1 12  26 47 o 19.92232 8.203697 15.44792       25.79590 0.000000       0.000000 15.44792       25.79590 ?        ?        19.92232 8.203697 ?              ?        
1 1 1 12  26 48 o 21.33074 8.435322 22.62634       26.07751 0.000000       0.000000 22.62634       26.07751 ?        ?        21.33074 8.435322 ?              ?        
1 1 1 12  26 49 o 17.85894 7.723044 6.640152       24.76203 0.000000       0.000000 6.640152       24.76203 ?        ?        17.85894 7.723044 ?              ?        
1 1 1 12  27 0  o 104.1249 4.532473 537.7500       46.08447 0.000000       0.000000 537.7500       46.08447 ?        ?        104.1249 4.532473 ?              ?        
1 1 1 12  27 1  o 42.18889 4.245128 88.85758       17.29247 131.3000       56.71964 84.50832       18.15688 48.95433 11.94432 41.06245 4.596180 7.891880       12.79811 
1 1 1 12  27 2  o 72.78892 3.299023 261.4340       23.44372 288.9000       63.25217 257.0601       25.24149 74.74966 8.814180 72.12261 3.586758 2.627052       9.516019 
1 1 1 12  27 3  o 39.03979 5.361697 77.16287       19.94814 174.5000       54.38295 62.03022       21.44278 57.36803 10.05083 34.64000 6.564280 22.72803       12.00454 
1 1 1 12  27 4  o 77.04062 3.905922 293.7997       29.35825 249.7000       62.20537 306.4377       33.30028 69.11697 9.441224 78.57977 4.346363 -9.462799      10.39363 
1 1 1 12  27 5  f 85.61646 3.191874 361.4177       26.70227 391.0000       69.81523 356.3488       28.89957 87.27911 8.270785 84.95333 3.482784 2.325775       8.974167 
1 1 1 12  27 6  o 74.48388 3.283576 273.8304       23.88070 175.2000       61.26155 291.5034       25.93211 56.77906 11.41900 76.81960 3.457595 -20.04055      11.93099 
1 1 1 12  27 7  o 16.56365 6.333866 9.683220       14.32116 -11.60000      52.31252 11.40753       14.88999 24.48154 10.88283 17.29539 6.493690 7.186148       12.67297 
1 1 1 12  27 8  o 49.16776 3.749176 120.0677       17.90751 193.0000       58.18591 112.4369       18.82103 60.10007 10.25885 47.50393 4.087398 12.59615       11.04313 
1 1 1 12  27 9  o 72.37196 3.273983 258.7111       23.13273 171.0000       62.48558 272.6415       24.90206 55.67886 11.83052 74.26484 3.434976 -18.58598      12.31910 
1 1 1 12  27 10 o 82.10474 3.197860 332.7927       25.65090 287.4000       66.85254 340.6292       27.77694 73.85167 9.465412 83.01470 3.425763 -9.163033      10.06627 
1 1 1 12  27 11 o 161.7859 3.773837 1294.287       59.76270 1274.000       127.0571 1300.051       67.72176 157.2825 8.282199 161.8554 4.278344 -4.572952      9.321966 
1 1 1 12  27 12 o 31.07140 5.105701 49.34911       14.98937 89.20000       56.28070 46.30656       15.55105 40.12000 12.74978 29.98118 5.501822 10.13881       13.88621 
1 1 1 12  27 13 o 37.63750 4.510505 71.36742       16.28641 -18.65000      56.41549 79.55154       17.01066 24.50685 11.06505 39.78001 4.444539 -15.27315      11.92431 
1 1 1 12  27 14 o 25.20937 6.137327 33.26963       15.00009 -37.29000      56.86269 38.54696       15.55093 22.89585 10.62067 27.17173 6.006871 -4.275879      12.20168 
1 1 1 12  27 15 o 95.43163 3.612577 451.1581       33.68455 490.1000       76.91872 441.9178       37.46841 97.13840 8.165257 94.29534 4.069042 2.843056       9.122968 
1 1 1 12  27 16 o 25.22407 6.979772 33.46198       17.81651 53.61000       56.19067 31.21000       18.78583 33.49268 12.60623 24.48364 7.294227 9.009039       14.56444 
1 1 1 12  27 17 o 33.06502 4.784263 55.64739       15.03473 -20.26000      54.70745 61.84875       15.63681 23.77960 10.80028 34.91480 4.694265 -11.13520      11.77634 
1 1 1 12  27 18 o 12.17174 5.518553 -7.553335      14.20732 -68.34000      53.40323 -2.923377      14.73845 19.60323 9.435517 13.36985 5.866752 6.233372       11.11071 
1 1 1 12  27 19 o 42.44031 4.762823 91.10091       19.44460 101.9000       55.39486 89.58333       20.76596 41.95099 12.53221 41.96338 5.164442 -0.1238632E-01 13.55462 
1 1 1 12  27 20 o 69.20136 3.415580 237.6354       23.06435 144.5000       58.92615 254.4855       25.06407 49.93272 12.16916 71.56779 3.589353 -21.63506      12.68747 
1 1 1 12  27 21 o 44.05484 4.088833 97.42942       17.43069 94.60000       53.00816 97.77246       18.45711 40.30556 12.30705 44.06517 4.335269 -3.759609      13.04830 
1 1 1 12  27 22 o 83.44456 3.677343 346.4331       29.96198 0.000000       0.000000 346.4331       29.96198 ?        ?        83.44456 3.677343 ?              ?        
1 1 1 12  27 23 o 80.75655 3.689065 324.7876       29.08384 0.000000       0.000000 324.7876       29.08384 ?        ?        80.75655 3.689065 ?              ?        
1 1 1 12  27 24 o 87.62650 3.413820 381.7946       29.22474 279.4000       63.95796 408.8154       32.85527 71.33948 9.386748 90.54871 3.714836 -19.20923      10.09510 
1 1 1 12  27 25 o 29.63777 8.190579 48.38550       24.55155 52.01000       49.32218 47.19157       28.30791 31.47818 11.81862 29.24450 9.005684 2.233683       14.85874 
1 1 1 12  27 26 o 77.74374 5.231517 308.6774       39.57887 0.000000       0.000000 308.6774       39.57887 ?        ?        77.74374 5.231517 ?              ?        
1 1 1 12  27 27 o 90.62018 3.360139 409.5143       29.75333 303.5000       57.19832 448.8416       34.83762 74.87193 7.924890 94.65305 3.767699 -19.78113      8.774932 
1 1 1 12  27 28 o 57.55431 3.900954 166.9100       21.84646 105.9000       43.90416 186.9872       25.18586 41.97282 10.66607 60.76656 4.261354 -18.79374      11.48583 
1 1 1 12  27 29 o 29.38391 6.187478 46.47370       17.23292 65.29000       35.64075 40.73240       19.68723 33.19633 10.08256 27.15096 7.265287 6.045362       12.42749 
1 1 1 12  27 30 f 27.73414 9.518990 43.16000       31.18543 0.000000       0.000000 43.16000       31.18543 ?        ?        27.73414 9.518990 ?              ?        
1 1 1 12  27 31 o 43.48986 8.323449 106.8000       34.14191 0.000000       0.000000 106.8000       34.14191 ?        ?        43.48986 8.323449 ?              ?        
1 1 1 12  27 32 o 24.91832 8.759476 33.44941       26.48421 0.000000       0.000000 33.44941       26.48421 ?        ?        24.91832 8.759476 ?              ?        
1 1 1 12  27 33 o 24.76030 11.01559 7.992000       53.70591 0.000000       0.000000 7.992000       53.70591 ?        ?        24.76030 11.01559 ?              ?        
1 1 1 12  27 34 o 62.42215 5.703167 204.9726       34.46210 0.000000       0.000000 204.9726       34.46210 ?        ?        62.42215 5.703167 ?              ?        
1 1 1 12  27 35 o 26.76631 8.735011 41.39720       26.29982 0.000000       0.000000 41.39720       26.29982 ?        ?        26.76631 8.735011 ?              ?        
1 1 1 12  27 36 o 31.63318 8.652179 59.28621       27.55786 0.000000       0.000000 59.28621       27.55786 ?        ?        31.63318 8.652179 ?              ?        
1 1 1 12  27 37 o 42.39709 7.488651 101.5967       29.94137 0.000000       0.000000 101.5967       29.94137 ?        ?        42.39709 7.488651 ?              ?        
1 1 1 12  27 38 o 24.46076 8.718464 33.65558       26.31251 0.000000       0.000000 33.65558       26.31251 ?        ?        24.46076 8.718464 ?              ?        
1 1 1 12  27 39 o 18.87473 8.034985 8.327585       26.02826 0.000000       0.000000 8.327585       26.02826 ?        ?        18.87473 8.034985 ?              ?        
1 1 1 12  27 40 o 33.58908 8.535133 67.61677       28.11474 0.000000       0.000000 67.61677       28.11474 ?        ?        33.58908 8.535133 ?              ?        
1 1 1 12  27 41 o 20.66249 8.704659 13.80000       30.01991 0.000000       0.000000 13.80000       30.01991 ?        ?        20.66249 8.704659 ?              ?        
1 1 1 12  27 42 o 19.38171 8.171598 10.94422       26.48949 0.000000       0.000000 10.94422       26.48949 ?        ?        19.38171 8.171598 ?              ?        
1 1 1 12  27 43 o 20.26427 9.643358 -30.57000      52.43349 0.000000       0.000000 -30.57000      52.43349 ?        ?        20.26427 9.643358 ?              ?        
1 1 1 12  27 44 o 44.63310 7.312057 113.5540       30.83982 0.000000       0.000000 113.5540       30.83982 ?        ?        44.63310 7.312057 ?              ?        
1 1 1 12  27 45 o 17.94257 7.836041 3.783524       26.01929 0.000000       0.000000 3.783524       26.01929 ?        ?        17.94257 7.836041 ?              ?        
1 1 1 12  27 46 f 20.12868 8.280666 16.16463       26.24895 0.000000       0.000000 16.16463       26.24895 ?        ?        20.12868 8.280666 ?              ?        
1 1 1 12  27 47 o 19.68022 8.084305 15.68231       24.97126 0.000000       0.000000 15.68231       24.97126 ?        ?        19.68022 8.084305 ?              ?        
1 1 1 12  27 48 o 16.95962 7.493786 1.919052       24.43849 0.000000       0.000000 1.919052       24.43849 ?        ?        16.95962 7.493786 ?              ?        
1 1 1 12  28 0  o 29.62508 5.824228 45.38760       16.28670 0.000000       0.000000 45.38760       16.28670 ?        ?        29.62508 5.824228 ?              ?        
1 1 1 12  28 1  o 54.61297 3.905998 148.2357       20.74231 0.000000       0.000000 148.2357       20.74231 ?        ?        54.61297 3.905998 ?              ?        
1 1 1 12  28 2  f 66.29714 3.432606 217.4442       22.19952 187.9000       62.80676 221.6621       23.73136 58.60353 11.35923 66.89487 3.637987 -8.291340      11.92758 
1 1 1 12  28 3  f 50.51656 3.888597 126.9485       19.08007 130.2000       57.87169 126.5519       20.21008 48.20229 12.24392 50.38427 4.134283 -2.181984      12.92307 
1 1 1 12  28 4  o 72.49716 4.015276 260.9663       28.38200 273.2000       65.47742 258.1359       31.49455 71.90775 9.537687 71.97221 4.492996 -0.6446838E-01 10.54298 
1 1 1 12  28 5  o 19.75084 7.182284 16.68006       17.96220 67.22000       55.57161 10.78389       18.98108 36.10072 12.68867 18.40603 7.221712 17.69470       14.59985 
1 1 1 12  28 6  o 32.99391 5.272820 55.63303       16.45574 29.90000       55.68235 58.09555       17.22512 30.14001 12.18726 33.69797 5.404841 -3.557961      13.33198 
1 1 1 12  28 7  o 27.61546 5.938965 39.69650       15.57632 -39.01000      55.82623 46.34098       16.22048 22.56934 10.48777 29.93217 5.745152 -7.362829      11.95827 
1 1 1 12  28 8  o 50.28834 3.848952 125.8695       18.80195 49.92000       58.19804 134.7204       19.86733 33.40175 12.76940 52.01778 3.931042 -18.61603      13.36079 
1 1 1 12  28 9  o 102.5927 3.310699 520.0518       33.20268 441.9000       79.66402 536.4813       36.52637 91.82383 8.977985 104.1160 3.589490 -12.29221      9.668954 
1 1 1 12  28 10 o 51.66444 3.788663 132.8195       19.02627 93.24000       60.50718 137.1624       20.04294 40.74767 13.24587 52.47411 3.930772 -11.72644      13.81680 
1 1 1 12  28 11 o 57.55704 3.573539 164.4382       20.03345 105.9000       62.53903 171.1319       21.14786 42.98330 13.41053 58.69191 3.699965 -15.70860      13.91158 
1 1 1 12  28 12 o 29.06688 5.592469 43.77679       15.33383 87.23000       58.65245 40.58894       15.88634 39.46522 13.05328 27.87192 6.000746 11.59330       14.36653 
1 1 1 12  28 13 o 63.33224 3.488335 198.9754       21.54114 183.4000       64.89815 200.9039       22.83577 56.91040 12.02729 63.59019 3.684539 -6.679790      12.57901 
1 1 1 12  28 14 o 85.52574 3.619198 362.8306       30.22961 343.5000       70.71703 367.1527       33.43880 80.40696 9.147573 85.91261 3.987251 -5.505646      9.978790 
1 1 1 12  28 15 o 18.00918 6.461360 14.30316       14.47668 -35.19000      54.13949 18.11446       15.02375 22.24777 10.33485 19.45090 6.608616 2.796865       12.26715 
1 1 1 12  28 16 o 19.86902 6.382497 19.74326       14.07452 -14.40000      54.06963 22.22488       14.57703 24.11306 10.86483 20.87291 6.468468 3.240149       12.64459 
1 1 1 12  28 17 o 19.76468 6.919406 18.19077       16.51480 7.026000       53.22849 19.38000       17.37210 26.23657 11.33449 20.32536 7.098056 5.911213       13.37359 
1 1 1 12  28 18 o 38.35913 5.257508 75.29295       19.22150 47.05000       53.86710 79.41380       20.57605 31.79614 12.25197 39.33656 5.493536 -7.540422      13.42720 
1 1 1 12  28 19 o 36.22182 4.748275 66.78838       16.42999 33.50000       52.38871 70.41963       17.30293 29.43579 11.85010 37.17167 4.872776 -7.735878      12.81283 
1 1 1 12  28 20 o 18.98665 6.394605 17.52891       14.06522 -27.17000      49.82680 21.39905       14.66148 21.70349 10.02338 20.50999 6.506224 1.193499       11.94986 
1 1 1 12  28 21 o 79.06647 3.366377 310.5331       25.99359 295.4000       63.92632 313.5309       28.45188 73.87433 9.027916 79.33674 3.673762 -5.462410      9.746784 
1 1 1 12  28 22 o 55.96773 4.023898 157.1788       21.89689 0.000000       0.000000 157.1788       21.89689 ?        ?        55.96773 4.023898 ?              ?        
1 1 1 12  28 23 o 13.26792 5.838710 -2.845006      14.69373 0.000000       0.000000 -2.845006      14.69373 ?        ?        13.26792 5.838710 ?              ?        
1 1 1 12  28 24 o 39.06144 4.675110 78.00542       17.52040 112.4000       49.96855 73.18422       18.70810 43.10320 11.59272 37.62342 5.220488 5.479771       12.71396 
1 1 1 12  28 25 o 79.98397 4.336837 323.0681       33.82632 206.4000       55.38548 392.4757       42.71925 60.24216 9.723700 87.74674 4.994402 -27.50458      10.93135 
1 1 1 12  28 26 o 33.15522 5.619064 57.91819       17.58514 165.1000       42.36060 35.60137       19.32938 54.74091 8.154243 25.47809 7.347404 29.26282       10.97616 
1 1 1 12  28 27 o 56.48543 3.780774 160.6301       20.78334 147.3000       42.69760 164.7691       23.79216 51.07296 8.862146 56.98275 4.297309 -5.909790      9.849087 
1 1 1 12  28 28 o 17.88539 6.652084 14.06562       15.55093 7.039000       32.15465 16.21091       17.76695 20.68298 8.870811 19.05327 7.105623 1.629711       11.36579 
1 1 1 12  28 29 o 24.65374 6.320063 33.11053       15.32134 45.64000       26.45183 26.78474       18.79519 28.27130 8.705340 22.42746 7.388007 5.843836       11.41778 
1 1 1 12  28 30 o 63.37969 5.706289 210.3246       35.02191 0.000000       0.000000 210.3246       35.02191 ?        ?        63.37969 5.706289 ?              ?        
1 1 1 12  28 31 o 94.93372 8.886350 512.1000       81.61562 0.000000       0.000000 512.1000       81.61562 ?        ?        94.93372 8.886350 ?              ?        
1 1 1 12  28 32 o 25.11102 9.201608 33.74713       29.56524 0.000000       0.000000 33.74713       29.56524 ?        ?        25.11102 9.201608 ?              ?        
1 1 1 12  28 33 o 31.32591 8.638754 57.65702       27.34434 0.000000       0.000000 57.65702       27.34434 ?        ?        31.32591 8.638754 ?              ?        
1 1 1 12  28 34 o 46.74678 6.694382 119.1823       29.75821 0.000000       0.000000 119.1823       29.75821 ?        ?        46.74678 6.694382 ?              ?        
1 1 1 12  28 35 o 19.71362 8.102168 13.17471       25.09832 0.000000       0.000000 13.17471       25.09832 ?        ?        19.71362 8.102168 ?              ?        
1 1 1 12  28 36 o 21.65977 8.490022 21.86240       26.21184 0.000000       0.000000 21.86240       26.21184 ?        ?        21.65977 8.490022 ?              ?        
1 1 1 12  28 37 o 14.57633 6.844727 -18.57399      24.81849 0.000000       0.000000 -18.57399      24.81849 ?        ?        14.57633 6.844727 ?              ?        
1 1 1 12  28 38 o 31.11465 8.879086 59.08090       28.37102 0.000000       0.000000 59.08090       28.37102 ?        ?        31.11465 8.879086 ?              ?        
1 1 1 12  28 39 o 26.46269 8.939619 41.83046       27.48878 0.000000       0.000000 41.83046       27.48878 ?        ?        26.46269 8.939619 ?              ?        
1 1 1 12  28 40 o 20.33784 8.624283 12.32000       29.78714 0.000000       0.000000 12.32000       29.78714 ?        ?        20.33784 8.624283 ?              ?        
1 1 1 12  28 41 o 30.97305 9.153952 59.71841       29.68129 0.000000       0.000000 59.71841       29.68129 ?        ?        30.97305 9.153952 ?              ?        
1 1 1 12  28 42 o 21.10526 9.971489 -22.76000      54.13954 0.000000       0.000000 -22.76000      54.13954 ?        ?        21.10526 9.971489 ?              ?        
1 1 1 12  28 43 o 32.14757 8.962179 64.32990       29.25461 0.000000       0.000000 64.32990       29.25461 ?        ?        32.14757 8.962179 ?              ?        
1 1 1 12  28 44 o 12.59106 6.145413 -37.69006      24.79225 0.000000       0.000000 -37.69006      24.79225 ?        ?        12.59106 6.145413 ?              ?        
1 1 1 12  28 45 o 31.50954 8.624342 61.56560       27.36987 0.000000       0.000000 61.56560       27.36987 ?        ?        31.50954 8.624342 ?              ?        
1 1 1 12  28 46 o 14.99331 6.939507 -11.26118      24.07487 0.000000       0.000000 -11.26118      24.07487 ?        ?        14.99331 6.939507 ?              ?        
1 1 1 12  28 47 o 23.11786 8.594946 31.29707       25.95671 0.000000       0.000000 31.29707       25.95671 ?        ?        23.11786 8.594946 ?              ?        
1 1 1 12  29 0  o 56.82656 3.615510 160.3147       20.00641 230.0000       61.39381 152.0355       21.16152 65.49168 9.884521 55.26028 3.938067 10.23140       10.64012 
1 1 1 12  29 1  o 87.73873 3.223298 380.3844       27.63498 444.4000       72.98103 369.6692       29.85836 92.57046 8.137084 86.40803 3.537733 6.162430       8.872862 
1 1 1 12  29 2  o 42.31495 4.502002 90.00934       18.36094 0.000000       0.000000 90.00934       18.36094 ?        ?        42.31495 4.502002 ?              ?        
1 1 1 12  29 3  o 57.89908 3.872465 166.7709       21.82033 0.000000       0.000000 166.7709       21.82033 ?        ?        57.89908 3.872465 ?              ?        
1 1 1 12  29 4  o 21.70678 6.710164 23.97580       15.69801 21.04000       53.51679 24.25218       16.42032 28.37168 11.76226 21.88921 6.877872 6.482471       13.62556 
1 1 1 12  29 5  o 16.76979 6.846238 6.101859       17.76993 -34.94000      52.67399 11.37269       18.87654 22.04540 10.22473 18.47880 7.216014 3.566605       12.51463 
1 1 1 12  29 6  o 57.35428 4.495803 164.6626       25.03784 181.4000       59.39735 161.0459       27.61078 57.33488 10.98355 56.55608 5.040377 0.7788010      12.08486 
1 1 1 12  29 7  o 77.09946 3.336605 294.2322       25.12077 229.2000       65.29825 305.5290       27.21531 64.73424 10.67724 78.51027 3.550635 -13.77603      11.25213 
1 1 1 12  29 8  o 24.77357 6.455638 32.26499       15.80990 61.79000       55.54703 29.66234       16.49201 34.75428 12.63145 23.81696 6.760806 10.93732       14.32697 
1 1 1 12  29 9  o 24.63337 7.762633 31.22691       20.90202 -76.34000      59.21790 46.53551       22.33992 20.54813 9.901846 29.52679 7.663749 -8.978661      12.52117 
1 1 1 12  29 10 o 61.24694 3.563944 186.3119       21.27361 139.4000       63.45842 192.2516       22.58024 48.82099 13.03482 62.17654 3.727299 -13.35555      13.55726 
1 1 1 12  29 11 o 101.5825 3.330013 510.7755       33.06615 396.0000       78.07812 535.8598       36.50106 86.07792 9.420500 103.9542 3.592615 -17.87624      10.08230 
1 1 1 12  29 12 o 101.1058 3.682970 507.4313       36.38767 425.3000       77.91665 530.3401       41.15073 89.45650 9.021514 103.2013 4.081725 -13.74477      9.901929 
1 1 1 12  29 13 o 18.89598 6.775458 15.92402       15.91576 -4.817000      55.89742 17.75389       16.60300 25.46424 11.28845 19.64604 6.933017 5.818203       13.24748 
1 1 1 12  29 14 o 54.30870 3.770726 147.0567       19.92027 117.1000       59.87343 150.7854       21.12367 44.54881 12.95644 54.94626 3.954021 -10.39745      13.54635 
1 1 1 12  29 15 o 28.35393 5.968226 42.19070       16.03908 -9.930000      55.38820 46.96126       16.75703 24.73327 11.08231 29.96201 5.923741 -5.228741      12.56616 
1 1 1 12  29 16 o 42.11945 5.124992 90.45652       20.69476 31.79000       56.83794 99.42254       22.21994 29.83237 12.21918 44.14373 5.244827 -14.31136      13.29724 
1 1 1 12  29 17 o 21.24224 6.484196 23.32956       14.71602 -9.574000      53.39353 26.03450       15.30896 24.22745 10.86634 22.30647 6.569345 1.920988       12.69778 
1 1 1 12  29 18 f 49.78318 3.867026 124.0633       18.69601 66.02000       54.46847 131.8151       19.90534 34.70168 12.52268 51.28523 3.996791 -16.58356      13.14503 
1 1 1 12  29 19 o 85.51793 3.656546 364.3484       30.53732 303.3000       64.59726 381.9176       34.65403 74.75642 9.009367 87.37984 4.062813 -12.62341      9.883074 
1 1 1 12  29 20 o 46.47587 4.683344 109.7073       21.01516 88.27000       51.82647 113.9257       22.99003 38.39635 12.23862 47.23220 5.051059 -8.835842      13.23997 
1 1 1 12  29 21 o 41.96161 4.231125 89.11108       17.14150 86.86000       51.75399 89.38846       18.16690 37.91032 12.24458 41.93987 4.495411 -4.029552      13.04371 
1 1 1 12  29 22 o 24.98085 8.965590 31.40023       27.87521 0.000000       0.000000 31.40023       27.87521 ?        ?        24.98085 8.965590 ?              ?        
1 1 1 12  29 23 f 57.58798 4.003084 167.1109       22.42440 0.000000       0.000000 167.1109       22.42440 ?        ?        57.58798 4.003084 ?              ?        
1 1 1 12  29 24 o 33.34171 7.428395 61.34558       23.62225 77.12000       41.85295 53.97136       28.61589 35.65459 10.94497 30.70884 8.964621 4.945749       14.14768 
1 1 1 12  29 25 o 54.55912 4.907942 152.7730       25.93052 147.3000       42.95139 155.9118       32.52707 51.00990 8.927367 54.37778 6.223022 -3.367882      10.88227 
1 1 1 12  29 26 o 34.36837 5.130834 61.65335       16.73267 66.85000       35.12048 60.12738       19.03151 33.49900 9.971797 33.56011 6.014458 -0.6111145E-01 11.64519 
1 1 1 12  29 27 o 54.85968 3.664855 151.6278       19.56674 186.5000       38.18852 139.2140       22.78478 58.98417 6.734975 52.17590 4.505472 6.808270       8.103034 
1 1 1 12  29 28 o 46.17657 4.148657 108.5849       18.55181 71.02000       31.98501 127.6294       22.77399 34.69230 9.250262 49.81155 4.727519 -15.11925      10.38830 
1 1 1 12  29 29 o 40.03735 7.766901 89.85114       29.33980 0.000000       0.000000 89.85114       29.33980 ?        ?        40.03735 7.766901 ?              ?        
1 1 1 12  29 30 o 50.62682 12.60427 170.8000       62.21721 0.000000       0.000000 170.8000       62.21721 ?        ?        50.62682 12.60427 ?              ?        
1 1 1 12  29 31 o 40.61495 7.742787 93.06662       29.65822 0.000000       0.000000 93.06662       29.65822 ?        ?        40.61495 7.742787 ?              ?        
1 1 1 12  29 32 o 23.70951 8.716344 29.64591       26.56343 0.000000       0.000000 29.64591       26.56343 ?        ?        23.70951 8.716344 ?              ?        
1 1 1 12  29 33 o 39.45916 7.570948 87.99717       28.17854 0.000000       0.000000 87.99717       28.17854 ?        ?        39.45916 7.570948 ?              ?        
1 1 1 12  29 34 o 52.77152 6.347242 150.9602       32.12877 0.000000       0.000000 150.9602       32.12877 ?        ?        52.77152 6.347242 ?              ?        
1 1 1 12  29 35 o 33.56470 8.634531 67.72356       28.52931 0.000000       0.000000 67.72356       28.52931 ?        ?        33.56470 8.634531 ?              ?        
1 1 1 12  29 36 o 15.40084 7.128905 -13.23642      25.41720 0.000000       0.000000 -13.23642      25.41720 ?        ?        15.40084 7.128905 ?              ?        
1 1 1 12  29 37 o 21.09839 8.424581 19.64404       26.25403 0.000000       0.000000 19.64404       26.25403 ?        ?        21.09839 8.424581 ?              ?        
1 1 1 12  29 38 o 19.67675 8.249736 12.26258       26.76253 0.000000       0.000000 12.26258       26.76253 ?        ?        19.67675 8.249736 ?              ?        
1 1 1 12  29 39 o 27.99864 9.669602 48.82000       32.19658 0.000000       0.000000 48.82000       32.19658 ?        ?        27.99864 9.669602 ?              ?        
1 1 1 12  29 40 o 34.67628 8.839932 73.74202       30.09050 0.000000       0.000000 73.74202       30.09050 ?        ?        34.67628 8.839932 ?              ?        
1 1 1 12  29 41 o 27.52911 11.74888 41.93000       55.89941 0.000000       0.000000 41.93000       55.89941 ?        ?        27.52911 11.74888 ?              ?        
1 1 1 12  29 42 o 16.56501 7.491402 -4.958687      25.98303 0.000000       0.000000 -4.958687      25.98303 ?        ?        16.56501 7.491402 ?              ?        
1 1 1 12  29 43 o 56.83194 6.062290 176.0700       33.20365 0.000000       0.000000 176.0700       33.20365 ?        ?        56.83194 6.062290 ?              ?        
1 1 1 12  29 44 o 15.22825 7.063508 -12.48175      25.14611 0.000000       0.000000 -12.48175      25.14611 ?        ?        15.22825 7.063508 ?              ?        
1 1 1 12  29 45 o 31.92701 8.677478 64.20926       27.82168 0.000000       0.000000 64.20926       27.82168 ?        ?        31.92701 8.677478 ?              ?        
1 1 1 12  29 46 o 21.63002 8.356744 25.39300       25.10817 0.000000       0.000000 25.39300       25.10817 ?        ?        21.63002 8.356744 ?              ?        
1 1 1 12  30 0  o 18.25650 6.623618 14.39610       15.26461 -35.88000      53.81619 18.79489       15.91838 22.13415 10.28952 19.87100 6.801462 2.263151       12.33427 
1 1 1 12  30 1  o 52.97189 3.893993 139.9539       20.04939 85.81000       58.24818 147.2309       21.35426 38.99403 13.01161 54.29852 4.046921 -15.30449      13.62643 
1 1 1 12  30 2  o 75.30423 3.388025 281.0077       24.90913 258.7000       65.20876 284.8188       26.95308 69.13990 9.919129 75.74045 3.646297 -6.600548      10.56809 
1 1 1 12  30 3  o 30.24690 6.059694 47.79460       17.31487 0.000000       0.000000 47.79460       17.31487 ?        ?        30.24690 6.059694 ?              ?        
1 1 1 12  30 4  o 65.20386 3.780879 211.5175       24.02733 0.000000       0.000000 211.5175       24.02733 ?        ?        65.20386 3.780879 ?              ?        
1 1 1 12  30 5  o 59.05530 3.641242 173.4448       20.94583 139.2000       60.79206 178.0578       22.31203 48.89391 12.61780 59.78745 3.832801 -10.89354      13.18709 
1 1 1 12  30 6  o 31.72449 7.009588 53.39394       21.18595 97.82000       56.60498 46.15678       22.84650 41.11097 12.74766 29.34183 7.815315 11.76914       14.95266 
1 1 1 12  30 7  o 29.64531 7.270008 46.90326       20.93202 12.01000       54.17159 53.02744       22.69471 27.04044 11.55381 31.48455 7.476172 -4.444109      13.76167 
1 1 1 12  30 8  o 38.55354 4.868650 75.51651       17.96402 52.77000       55.53987 78.17419       18.98448 32.99479 12.50748 39.17717 5.069346 -6.182381      13.49575 
1 1 1 12  30 9  o 17.77858 6.654830 12.66688       15.61320 35.47000       54.21547 10.60467       16.30391 30.15679 12.08442 17.38178 6.729013 12.77501       13.83158 
1 1 1 12  30 10 f 37.08169 4.879350 69.99398       17.28105 33.25000       58.03747 73.56860       18.10213 30.35602 12.38027 37.99971 4.987044 -7.643690      13.34698 
1 1 1 12  30 11 o 18.64945 6.853570 14.81768       16.42041 -30.53000      57.00398 18.92097       17.14722 23.17080 10.70811 20.10752 7.049818 3.063284       12.82044 
1 1 1 12  30 12 o 15.05019 6.361846 1.964472       16.12339 1.677000       55.53211 1.990937       16.84921 25.92937 11.38261 15.35597 6.497873 10.57340       13.10672 
1 1 1 12  30 13 o 16.47145 6.488942 8.641310       15.37868 -39.09000      55.52543 12.60701       16.00480 22.04407 10.31496 17.83376 6.724511 4.210314       12.31330 
1 1 1 12  30 14 o 57.98295 4.578957 169.3862       25.77721 148.9000       60.14927 173.9951       28.52989 50.17044 12.33604 58.60368 5.021944 -8.433243      13.31907 
1 1 1 12  30 15 o 28.88758 7.186276 44.87115       20.23648 76.23000       56.18646 40.19695       21.69229 36.52399 12.76454 27.31763 7.753553 9.206366       14.93490 
1 1 1 12  30 16 o 60.46086 3.698945 182.5075       21.78587 66.53000       59.77938 200.2702       23.39478 34.89434 13.02973 63.31334 3.792387 -28.41899      13.57041 
1 1 1 12  30 17 o 87.82854 3.444591 383.8381       29.55539 259.5000       68.05386 412.7411       32.81120 67.60355 10.63525 90.96937 3.692532 -23.36582      11.25803 
1 1 1 12  30 18 f 63.93461 3.552990 204.0514       22.14751 165.2000       59.64058 210.2660       23.85317 52.57596 11.87100 64.82237 3.775714 -12.24641      12.45699 
1 1 1 12  30 19 o 88.06045 3.365318 386.1929       28.95431 293.4000       64.76030 409.3763       32.36984 72.68537 9.316326 90.52650 3.660625 -17.84113      10.00970 
1 1 1 12  30 20 o 42.85881 6.535846 97.40826       26.55251 37.40000       50.26816 120.6308       31.27101 28.85407 11.61063 47.57107 6.918337 -18.71700      13.51555 
1 1 1 12  30 21 o 56.10699 4.326936 159.5565       23.57967 0.000000       0.000000 159.5565       23.57967 ?        ?        56.10699 4.326936 ?              ?        
1 1 1 12  30 22 f 19.63726 7.033606 18.44172       17.14664 0.000000       0.000000 18.44172       17.14664 ?        ?        19.63726 7.033606 ?              ?        
1 1 1 12  30 23 o 35.29667 5.364516 65.23743       17.95142 0.000000       0.000000 65.23743       17.95142 ?        ?        35.29667 5.364516 ?              ?        
1 1 1 12  30 24 o 32.91312 7.274149 59.94026       22.81008 61.44000       36.64688 58.99177       29.14370 32.08031 10.29834 31.89160 8.964924 0.1887035      13.65378 
1 1 1 12  30 25 o 40.47578 4.397641 83.98039       17.14322 91.94000       35.55228 81.56898       19.56849 39.55368 9.334218 39.54641 5.179649 0.7270813E-02  10.67504 
1 1 1 12  30 26 o 35.05481 5.027170 64.15260       16.75651 91.68000       31.36100 53.15386       19.82343 40.18069 8.250291 31.12821 6.704337 9.052479       10.63087 
1 1 1 12  30 27 o 90.37758 4.239958 414.8586       37.40384 0.000000       0.000000 414.8586       37.40384 ?        ?        90.37758 4.239958 ?              ?        
1 1 1 12  30 28 o 36.10032 4.140404 66.78397       14.36606 65.02000       23.05202 67.90410       18.36948 34.21831 7.114751 35.86581 5.399837 -1.647499      8.931849 
1 1 1 12  30 29 o 21.45301 10.06118 -24.76000      53.33448 0.000000       0.000000 -24.76000      53.33448 ?        ?        21.45301 10.06118 ?              ?        
1 1 1 12  30 30 o 52.37288 6.203837 147.0836       31.18646 0.000000       0.000000 147.0836       31.18646 ?        ?        52.37288 6.203837 ?              ?        
1 1 1 12  30 31 o 57.43312 5.966710 175.9178       33.05484 0.000000       0.000000 175.9178       33.05484 ?        ?        57.43312 5.966710 ?              ?        
1 1 1 12  30 32 o 27.01116 8.667022 42.93182       25.95844 0.000000       0.000000 42.93182       25.95844 ?        ?        27.01116 8.667022 ?              ?        
1 1 1 12  30 33 o 39.06662 7.897493 88.31278       29.15996 0.000000       0.000000 88.31278       29.15996 ?        ?        39.06662 7.897493 ?              ?        
1 1 1 12  30 34 o 32.74458 8.794538 65.12781       28.78186 0.000000       0.000000 65.12781       28.78186 ?        ?        32.74458 8.794538 ?              ?        
1 1 1 12  30 35 o 18.52052 7.989602 6.191010       26.37352 0.000000       0.000000 6.191010       26.37352 ?        ?        18.52052 7.989602 ?              ?        
1 1 1 12  30 36 o 21.96626 8.684374 22.86517       27.63350 0.000000       0.000000 22.86517       27.63350 ?        ?        21.96626 8.684374 ?              ?        
1 1 1 12  30 37 o 18.15289 7.947672 3.420060       26.91236 0.000000       0.000000 3.420060       26.91236 ?        ?        18.15289 7.947672 ?              ?        
1 1 1 12  30 38 o 15.59528 7.317584 -18.65000      28.27229 0.000000       0.000000 -18.65000      28.27229 ?        ?        15.59528 7.317584 ?              ?        
1 1 1 12  30 39 o 17.88895 7.890048 1.822997       26.97429 0.000000       0.000000 1.822997       26.97429 ?        ?        17.88895 7.890048 ?              ?        
1 1 1 12  30 40 o 34.96672 9.090460 76.20760       31.39783 0.000000       0.000000 76.20760       31.39783 ?        ?        34.96672 9.090460 ?              ?        
1 1 1 12  30 41 o 31.15541 9.116674 61.26639       29.56407 0.000000       0.000000 61.26639       29.56407 ?        ?        31.15541 9.116674 ?              ?        
1 1 1 12  30 42 o 25.60971 8.888071 39.74384       27.21665 0.000000       0.000000 39.74384       27.21665 ?        ?        25.60971 8.888071 ?              ?        
1 1 1 12  30 43 o 48.26672 6.776373 131.5843       31.13429 0.000000       0.000000 131.5843       31.13429 ?        ?        48.26672 6.776373 ?              ?        
1 1 1 12  30 44 o 25.07186 8.756572 38.88246       26.43920 0.000000       0.000000 38.88246       26.43920 ?        ?        25.07186 8.756572 ?              ?        
1 1 1 12  30 45 o 22.87793 8.591130 30.55518       26.06457 0.000000       0.000000 30.55518       26.06457 ?        ?        22.87793 8.591130 ?              ?        
1 1 1 12  31 0  o 48.39563 4.111310 117.3834       19.29151 109.8000       58.38285 118.3129       20.43960 43.15686 12.85937 48.52093 4.349754 -5.364071      13.57512 
1 1 1 12  31 1  o 67.17053 4.250380 225.7141       27.80224 236.1000       64.75423 223.3668       30.78404 65.35965 10.47538 66.64000 4.750527 -1.280350      11.50222 
1 1 1 12  31 2  o 69.69345 3.516006 241.2993       23.90797 221.4000       63.57723 244.5768       25.80180 63.11357 10.67136 70.08735 3.774936 -6.973782      11.31936 
1 1 1 12  31 3  o 81.67208 3.349621 330.7393       26.72101 219.8000       66.33479 352.2275       29.19439 62.45402 11.26551 84.22133 3.549325 -21.76731      11.81141 
1 1 1 12  31 4  o 37.82620 5.238140 73.24434       18.87449 0.000000       0.000000 73.24434       18.87449 ?        ?        37.82620 5.238140 ?              ?        
1 1 1 12  31 5  o 20.92655 7.019408 21.56453       16.94910 0.000000       0.000000 21.56453       16.94910 ?        ?        20.92655 7.019408 ?              ?        
1 1 1 12  31 6  o 59.47805 3.748259 176.3885       21.71092 83.56000       60.61631 190.0496       23.25365 38.17472 13.26345 61.71011 3.869187 -23.53539      13.81628 
1 1 1 12  31 7  o 39.49540 6.121139 81.05527       22.89862 61.87000       57.13454 84.72670       24.99379 34.32336 12.75347 40.22771 6.574344 -5.904346      14.34827 
1 1 1 12  31 8  o 29.67576 7.496395 47.46217       21.77846 11.51000       54.49154 54.29663       23.75849 26.78767 11.51942 31.68450 7.730294 -4.896833      13.87279 
1 1 1 12  31 9  o 73.74242 3.533736 270.4606       25.43268 213.7000       63.72440 281.2147       27.73751 61.44663 10.99890 75.10979 3.785007 -13.66317      11.63194 
1 1 1 12  31 10 o 64.99062 3.933098 211.1007       24.90314 166.7000       60.33741 220.2172       27.34047 53.46135 11.84249 66.27489 4.236731 -12.81355      12.57753 
1 1 1 12  31 11 o 47.31542 4.247482 112.7014       19.46254 162.0000       59.48991 106.7924       20.59593 52.62890 11.83602 45.92341 4.645676 6.705490       12.71510 
1 1 1 12  31 12 o 55.56057 3.882962 154.5147       20.98426 159.9000       61.10670 153.7948       22.34299 51.87670 12.23409 55.34180 4.154935 -3.465103      12.92039 
1 1 1 12  31 13 o 28.90699 7.571861 45.40595       21.67584 3.924000       56.81652 52.47195       23.44940 26.08305 11.47958 31.01757 7.747032 -4.934521      13.84909 
1 1 1 12  31 14 o 70.31727 3.573555 246.6640       24.51559 182.8000       61.67694 258.6474       26.71682 55.62761 11.69887 71.91742 3.808867 -16.28981      12.30329 
1 1 1 12  31 15 o 60.09372 3.764667 180.8306       22.03304 197.1000       59.64292 178.2595       23.71021 58.38459 10.83532 59.54131 4.093182 -1.156719      11.58267 
1 1 1 12  31 16 o 104.6830 3.404488 545.8051       34.83823 486.9000       76.36397 561.2874       39.14977 94.89316 8.305057 105.9448 3.781294 -11.05164      9.125358 
1 1 1 12  31 17 o 12.27871 5.584467 -7.662011      14.68913 -77.87000      51.13313 -1.346912      15.33554 17.96664 8.781296 13.84009 6.030607 4.126552       10.65267 
1 1 1 12  31 18 o 52.36906 3.863753 138.0943       19.66624 126.4000       53.96750 139.8851       21.11836 45.04302 12.01813 52.60336 4.134691 -7.560337      12.70949 
1 1 1 12  31 19 o 50.64771 3.968577 129.5978       19.51736 102.3000       50.73196 134.3398       21.14475 40.24165 11.98635 51.46108 4.235210 -11.21943      12.71257 
1 1 1 12  31 20 o 49.30631 4.187173 123.4254       20.01735 0.000000       0.000000 123.4254       20.01735 ?        ?        49.30631 4.187173 ?              ?        
1 1 1 12  31 21 o 17.26373 6.536129 12.38978       15.15610 0.000000       0.000000 12.38978       15.15610 ?        ?        17.26373 6.536129 ?              ?        
1 1 1 12  31 22 f 36.07877 5.188086 68.02227       17.79550 0.000000       0.000000 68.02227       17.79550 ?        ?        36.07877 5.188086 ?              ?        
1 1 1 12  31 23 o 46.98035 4.878588 114.0124       22.10825 0.000000       0.000000 114.0124       22.10825 ?        ?        46.98035 4.878588 ?              ?        
1 1 1 12  31 24 o 55.28803 4.864547 157.5901       26.05753 154.2000       37.15957 160.8698       36.54981 53.03830 7.355442 54.43531 7.023080 -1.397018      10.16987 
1 1 1 12  31 25 o 60.01443 3.598564 181.4648       21.04223 125.3000       35.51865 211.8366       26.11918 47.25960 7.960840 64.55721 4.155481 -17.29761      8.980145 
1 1 1 12  31 26 o 36.01619 4.439260 66.93078       15.31920 60.42000       27.30357 69.92200       18.50663 32.19663 8.529030 36.41822 5.351067 -4.221588      10.06868 
1 1 1 12  31 27 o 31.07266 5.266018 51.19418       15.44511 34.84000       22.29039 66.29739       21.42091 24.89307 8.035454 34.80950 6.526576 -9.916431      10.35204 
1 1 1 12  31 28 o 48.90955 13.06050 167.0000       63.70252 0.000000       0.000000 167.0000       63.70252 ?        ?        48.90955 13.06050 ?              ?        
1 1 1 12  31 29 o 64.14465 5.632897 217.3986       35.00823 0.000000       0.000000 217.3986       35.00823 ?        ?        64.14465 5.632897 ?              ?        
1 1 1 12  31 30 o 20.03927 8.165535 14.71989       25.22062 0.000000       0.000000 14.71989       25.22062 ?        ?        20.03927 8.165535 ?              ?        
1 1 1 12  31 31 o 65.05163 5.710423 225.1517       35.99216 0.000000       0.000000 225.1517       35.99216 ?        ?        65.05163 5.710423 ?              ?        
1 1 1 12  31 32 o 28.49506 8.813711 49.24817       27.07838 0.000000       0.000000 49.24817       27.07838 ?        ?        28.49506 8.813711 ?              ?        
1 1 1 12  31 33 o 52.87181 6.470175 153.4929       32.78775 0.000000       0.000000 153.4929       32.78775 ?        ?        52.87181 6.470175 ?              ?        
1 1 1 12  31 34 o 26.98970 8.883060 44.05708       27.17392 0.000000       0.000000 44.05708       27.17392 ?        ?        26.98970 8.883060 ?              ?        
1 1 1 12  31 35 o 17.05566 7.632164 -2.459023      26.17663 0.000000       0.000000 -2.459023      26.17663 ?        ?        17.05566 7.632164 ?              ?        
1 1 1 12  31 36 o 20.45890 8.429147 16.19210       27.25236 0.000000       0.000000 16.19210       27.25236 ?        ?        20.45890 8.429147 ?              ?        
1 1 1 12  31 37 o 23.25831 9.163437 28.06000       30.67059 0.000000       0.000000 28.06000       30.67059 ?        ?        23.25831 9.163437 ?              ?        
1 1 1 12  31 38 o 25.96631 11.45237 28.74000       56.82751 0.000000       0.000000 28.74000       56.82751 ?        ?        25.96631 11.45237 ?              ?        
1 1 1 12  31 39 o 21.69149 8.670213 22.43161       27.83582 0.000000       0.000000 22.43161       27.83582 ?        ?        21.69149 8.670213 ?              ?        
1 1 1 12  31 40 o 18.98783 8.082716 9.999605       26.33607 0.000000       0.000000 9.999605       26.33607 ?        ?        18.98783 8.082716 ?              ?        
1 1 1 12  31 41 o 22.47349 8.662987 27.11631       26.93798 0.000000       0.000000 27.11631       26.93798 ?        ?        22.47349 8.662987 ?              ?        
1 1 1 12  31 42 o 35.18348 8.517690 76.66257       29.01637 0.000000       0.000000 76.66257       29.01637 ?        ?        35.18348 8.517690 ?              ?        
1 1 1 12  31 43 o 17.66325 7.722229 5.033512       25.32728 0.000000       0.000000 5.033512       25.32728 ?        ?        17.66325 7.722229 ?              ?        
1 1 1 12  31 44 o 24.54902 8.809225 37.49762       26.91020 0.000000       0.000000 37.49762       26.91020 ?        ?        24.54902 8.809225 ?              ?        
1 1 1 12  32 0  o 25.89833 6.482073 35.70733       16.39175 59.92000       57.32219 33.55109       17.10607 33.82748 12.73246 25.08969 6.797919 8.737785       14.43355 
1 1 1 12  32 1  o 63.28083 3.665594 199.6694       22.60788 103.7000       63.02669 213.8410       24.21966 41.35013 13.52403 65.45160 3.796731 -24.10147      14.04687 
1 1 1 12  32 2  o 26.03866 6.677242 36.18765       17.09826 -20.53000      56.44238 41.91844       17.94129 23.73507 10.85305 28.02856 6.641841 -4.293486      12.72410 
1 1 1 12  32 3  o 33.92050 5.541362 59.66510       17.76396 81.55000       57.72405 57.37572       18.67000 37.44542 12.94667 33.10412 5.981876 4.341301       14.26181 
1 1 1 12  32 4  f 55.69082 3.942014 155.2900       21.34972 69.01000       61.46369 167.1286       22.76736 35.47586 13.21891 57.74763 4.053589 -22.27177      13.82646 
1 1 1 12  32 5  o 44.23277 4.697965 99.26637       20.02970 0.000000       0.000000 99.26637       20.02970 ?        ?        44.23277 4.697965 ?              ?        
1 1 1 12  32 6  o 11.53946 5.439290 -16.48936      15.93825 0.000000       0.000000 -16.48936      15.93825 ?        ?        11.53946 5.439290 ?              ?        
1 1 1 12  32 7  o 35.67039 5.415658 65.79714       18.31537 -25.69000      57.32644 76.19735       19.32840 23.37252 10.77886 38.48777 5.268744 -15.11524      11.99764 
1 1 1 12  32 8  o 55.81766 5.644774 160.0237       30.41731 166.5000       60.16460 157.8000       35.25473 53.02630 11.88619 54.91125 6.697600 -1.884953      13.64329 
1 1 1 12  32 9  o 59.04237 5.579385 178.9102       31.86212 93.78000       58.79838 214.3000       37.91074 39.19734 13.07277 64.38643 6.087647 -25.18909      14.42071 
1 1 1 12  32 10 o 54.28338 4.013986 148.0946       21.17706 171.5000       57.70863 144.4523       22.76529 54.08733 11.26662 53.47234 4.388052 0.6149902      12.09097 
1 1 1 12  32 11 o 29.08368 7.987687 46.56618       23.43209 0.2680000      54.83115 56.91073       25.91798 25.10343 11.15152 32.03933 8.223519 -6.935894      13.85578 
1 1 1 12  32 12 o 48.07522 5.547235 119.4460       25.62568 117.4000       58.08340 119.9405       28.55499 43.22795 12.81297 47.84694 6.246049 -4.618996      14.25431 
1 1 1 12  32 13 o 35.53791 5.425838 65.79073       18.27669 1.278000       54.34806 74.01682       19.40698 24.93968 11.08916 37.74084 5.407724 -12.80116      12.33746 
1 1 1 12  32 14 o 46.71558 4.443598 110.9745       20.07461 109.9000       54.29992 111.1447       21.60531 41.77720 12.39006 46.60609 4.804780 -4.828892      13.28908 
1 1 1 12  32 15 o 51.63649 4.143870 134.9140       20.76876 111.9000       53.08519 139.0733       22.56760 42.10939 12.18607 52.30159 4.450460 -10.19220      12.97331 
1 1 1 12  32 16 o 55.90990 3.965523 157.8106       21.56095 175.7000       55.68362 154.6555       23.38513 54.14719 10.88407 55.16793 4.366167 -1.020733      11.72716 
1 1 1 12  32 17 o 48.51197 6.009524 123.9856       27.92644 45.16000       51.66899 156.5155       33.19233 29.65330 11.82589 54.35415 6.358804 -24.70086      13.42706 
1 1 1 12  32 18 o 29.72440 6.305736 47.79285       17.77749 0.000000       0.000000 47.79285       17.77749 ?        ?        29.72440 6.305736 ?              ?        
1 1 1 12  32 19 o 48.25090 4.004826 118.0545       18.74426 76.04000       43.37438 127.7027       20.78535 34.95703 11.20201 50.07378 4.281783 -15.11674      11.99244 
1 1 1 12  32 20 o 56.74112 3.683625 162.2833       20.34819 104.4000       43.50498 178.4919       23.02154 41.13527 10.70373 59.37391 3.984316 -18.23864      11.42124 
1 1 1 12  32 21 o 32.45778 5.791958 56.27306       17.72626 0.000000       0.000000 56.27306       17.72626 ?        ?        32.45778 5.791958 ?              ?        
1 1 1 12  32 22 o 18.42960 6.510624 16.59960       14.64460 0.000000       0.000000 16.59960       14.64460 ?        ?        18.42960 6.510624 ?              ?        
1 1 1 12  32 23 o 13.17792 5.703438 -0.9892485E-01 13.52682 11.19000       27.88751 -3.572032      15.46830 20.16698 8.435967 13.30338 5.915553 6.863603       10.30336 
1 1 1 12  32 24 o 30.67331 7.463182 53.20004       22.19101 36.06000       28.83429 78.10000       34.75382 25.56215 9.124977 35.87433 9.676537 -10.31218      13.30040 
1 1 1 12  32 25 o 44.62109 4.047187 101.6646       17.48457 101.2000       29.63076 101.9128       21.65692 42.60160 7.372557 44.14884 5.105513 -1.547241      8.967768 
1 1 1 12  32 26 o 47.64244 5.542080 119.9526       25.36291 132.9000       27.86747 57.48000       61.21412 50.00232 5.801332 30.88478 12.66899 19.11754       13.93409 
1 1 1 12  32 27 o 47.34310 3.281688 112.9483       15.11347 93.69000       23.93934 125.7108       19.48818 41.69382 6.041742 49.59440 4.049736 -7.900578      7.273445 
1 1 1 12  32 28 o 33.70579 8.769161 67.98544       29.20312 0.000000       0.000000 67.98544       29.20312 ?        ?        33.70579 8.769161 ?              ?        
1 1 1 12  32 29 o 32.08783 8.749865 62.14465       28.23343 0.000000       0.000000 62.14465       28.23343 ?        ?        32.08783 8.749865 ?              ?        
1 1 1 12  32 30 o 14.43020 6.757109 -16.88408      23.89938 0.000000       0.000000 -16.88408      23.89938 ?        ?        14.43020 6.757109 ?              ?        
1 1 1 12  32 31 o 34.09285 8.474131 69.94753       28.15673 0.000000       0.000000 69.94753       28.15673 ?        ?        34.09285 8.474131 ?              ?        
1 1 1 12  32 32 o 25.61364 8.893848 38.98129       27.25364 0.000000       0.000000 38.98129       27.25364 ?        ?        25.61364 8.893848 ?              ?        
1 1 1 12  32 33 o 22.85507 8.626185 27.86800       26.35135 0.000000       0.000000 27.86800       26.35135 ?        ?        22.85507 8.626185 ?              ?        
1 1 1 12  32 34 o 21.67200 8.596660 22.46161       27.16223 0.000000       0.000000 22.46161       27.16223 ?        ?        21.67200 8.596660 ?              ?        
1 1 1 12  32 35 o 24.20455 9.378414 32.37000       31.69052 0.000000       0.000000 32.37000       31.69052 ?        ?        24.20455 9.378414 ?              ?        
1 1 1 12  32 36 o 22.31234 8.661674 25.64741       27.07082 0.000000       0.000000 25.64741       27.07082 ?        ?        22.31234 8.661674 ?              ?        
1 1 1 12  32 37 o 18.28233 8.963194 -65.93000      54.52324 0.000000       0.000000 -65.93000      54.52324 ?        ?        18.28233 8.963194 ?              ?        
1 1 1 12  32 38 o 14.88108 7.010882 -19.09664      26.41906 0.000000       0.000000 -19.09664      26.41906 ?        ?        14.88108 7.010882 ?              ?        
1 1 1 12  32 39 o 18.37074 7.955088 6.549957       26.34341 0.000000       0.000000 6.549957       26.34341 ?        ?        18.37074 7.955088 ?              ?        
1 1 1 12  32 40 o 20.49095 8.394852 18.11709       26.83498 0.000000       0.000000 18.11709       26.83498 ?        ?        20.49095 8.394852 ?              ?        
1 1 1 12  32 41 o 12.91306 6.233987 -28.59343      23.73169 0.000000       0.000000 -28.59343      23.73169 ?        ?        12.91306 6.233987 ?              ?        
1 1 1 12  32 42 o 13.96721 6.599740 -17.91766      23.72852 0.000000       0.000000 -17.91766      23.72852 ?        ?        13.96721 6.599740 ?              ?        
1 1 1 12  32 43 o 29.28842 8.721555 55.70776       26.86210 0.000000       0.000000 55.70776       26.86210 ?        ?        29.28842 8.721555 ?              ?        
1 1 1 12  33 0  o 15.85076 6.435205 6.421334       15.59662 37.92000       54.55590 3.617846       16.27590 29.72849 12.04796 15.40604 6.444587 14.32245       13.66331 
1 1 1 12  33 1  o 49.02242 4.178133 121.2351       19.85768 140.5000       58.44257 118.7207       21.11385 47.90646 12.37597 48.38975 4.509587 -0.4832878     13.17198 
1 1 1 12  33 2  o 75.30392 3.463266 282.6829       25.45923 247.0000       65.42022 289.0515       27.63798 65.74572 10.52026 76.04133 3.724549 -10.29561      11.16012 
1 1 1 12  33 3  o 37.34196 5.195263 71.97977       18.47585 78.68000       56.38848 71.17395       19.55534 36.29042 12.77943 36.98853 5.574211 -0.6981010     13.94223 
1 1 1 12  33 4  f 26.96331 6.596366 39.14293       17.26397 11.94000       54.16191 42.21930       18.21402 26.25275 11.38726 27.97338 6.733525 -1.720633      13.22914 
1 1 1 12  33 5  o 27.37541 6.511434 40.31115       17.19244 30.65000       54.59693 41.37461       18.11397 28.61830 11.87384 27.67426 6.748587 0.9440422      13.65765 
1 1 1 12  33 6  o 21.53476 7.179838 23.67835       17.73641 0.000000       0.000000 23.67835       17.73641 ?        ?        21.53476 7.179838 ?              ?        
1 1 1 12  33 7  o 74.75358 4.320482 281.8994       31.47865 0.000000       0.000000 281.8994       31.47865 ?        ?        74.75358 4.320482 ?              ?        
1 1 1 12  33 8  o 33.32134 5.976145 58.73943       18.77560 18.05000       52.78017 64.63448       20.08971 26.55004 11.37574 34.94187 6.095387 -8.391830      12.90586 
1 1 1 12  33 9  o 33.53869 7.301108 61.52131       23.28695 36.90000       53.04341 67.39970       25.91819 29.00947 11.83393 34.92004 7.781769 -5.910574      14.16325 
1 1 1 12  33 10 o 45.86244 9.190526 119.5756       39.81903 101.3000       56.74879 137.3000       55.88633 39.76536 12.81992 46.91758 12.09295 -7.152218      17.62356 
1 1 1 12  33 11 o 42.57963 6.342355 96.23039       25.62831 74.47000       55.40472 102.1538       28.90677 34.82143 12.62108 43.52861 7.023521 -8.707184      14.44374 
1 1 1 12  33 12 o 24.94875 8.213573 33.74120       23.23167 11.05000       52.06685 39.38159       25.95896 25.27433 11.06037 26.66349 8.676637 -1.389164      14.05759 
1 1 1 12  33 13 o 14.55514 6.267997 0.6236071      16.17725 26.13000       47.46657 -2.728408      17.20744 26.38379 11.01895 14.28935 6.302123 12.09444       12.69386 
1 1 1 12  33 14 o 22.29741 7.023823 26.67278       17.11420 17.87000       46.06204 28.08260       18.43379 24.98223 10.66360 22.85127 7.300681 2.130957       12.92332 
1 1 1 12  33 15 o 27.25441 8.262157 41.88015       23.94831 62.72000       45.76373 34.02104       28.10352 32.21376 11.49617 25.28331 9.010442 6.930445       14.60650 
1 1 1 12  33 16 o 91.31246 4.359100 423.5240       38.84875 0.000000       0.000000 423.5240       38.84875 ?        ?        91.31246 4.359100 ?              ?        
1 1 1 12  33 17 o 24.29404 6.827929 32.49022       16.90721 -7.265000      38.25929 42.13788       18.84738 20.10812 9.092427 27.56074 6.980089 -7.452614      11.46272 
1 1 1 12  33 18 o 40.81148 4.593759 85.85694       18.03251 19.77000       39.24242 103.5468       20.30301 23.89826 10.00266 44.81018 4.698693 -20.91193      11.05129 
1 1 1 12  33 19 o 21.07531 6.619936 23.83440       15.21305 30.83000       36.55006 22.36850       16.73121 25.32520 9.995374 20.69263 6.974372 4.632568       12.18808 
1 1 1 12  33 20 o 47.68419 3.984898 115.6628       18.42944 80.54000       37.76842 126.6392       21.11370 36.10492 10.22521 49.71630 4.383549 -13.61139      11.12521 
1 1 1 12  33 21 o 76.47969 3.815035 295.6881       28.46935 0.000000       0.000000 295.6881       28.46935 ?        ?        76.47969 3.815035 ?              ?        
1 1 1 12  33 22 o 14.52318 6.064871 4.007750       14.37761 0.000000       0.000000 4.007750       14.37761 ?        ?        14.52318 6.064871 ?              ?        
1 1 1 12  33 23 o 18.38170 7.325199 12.67147       19.80970 0.9565000      25.79618 29.51000       30.92694 17.72442 7.770025 24.13601 9.287900 -6.411592      12.10943 
1 1 1 12  33 24 o 27.07643 5.332901 39.30949       13.63076 78.77000       25.98049 24.32208       16.01140 37.40822 7.357631 21.17988 6.807890 16.22834       10.02408 
1 1 1 12  33 25 o 49.11263 3.922562 123.0512       18.70024 87.70000       28.35698 150.2558       24.87590 39.22931 7.659811 53.79306 4.773920 -14.56376      9.025686 
1 1 1 12  33 26 o 24.09818 5.396409 31.44544       12.41181 21.13000       20.27715 37.62616       15.69577 20.59625 7.607852 26.06751 6.235395 -5.471262      9.836644 
1 1 1 12  33 27 o 45.63571 8.844481 124.1000       38.08108 0.000000       0.000000 124.1000       38.08108 ?        ?        45.63571 8.844481 ?              ?        
1 1 1 12  33 28 o 38.40960 13.70922 118.5000       65.08127 0.000000       0.000000 118.5000       65.08127 ?        ?        38.40960 13.70922 ?              ?        
1 1 1 12  33 29 o 41.75465 7.688150 100.5917       30.26446 0.000000       0.000000 100.5917       30.26446 ?        ?        41.75465 7.688150 ?              ?        
1 1 1 12  33 30 o 21.72193 8.407188 23.65773       25.44559 0.000000       0.000000 23.65773       25.44559 ?        ?        21.72193 8.407188 ?              ?        
1 1 1 12  33 31 o 36.83018 8.001914 79.97614       28.02067 0.000000       0.000000 79.97614       28.02067 ?        ?        36.83018 8.001914 ?              ?        
1 1 1 12  33 32 o 20.68810 8.404574 18.16381       26.62362 0.000000       0.000000 18.16381       26.62362 ?        ?        20.68810 8.404574 ?              ?        
1 1 1 12  33 33 o 21.13507 8.562820 19.68914       27.54879 0.000000       0.000000 19.68914       27.54879 ?        ?        21.13507 8.562820 ?              ?        
1 1 1 12  33 34 o 19.81346 8.571435 9.312000       30.52362 0.000000       0.000000 9.312000       30.52362 ?        ?        19.81346 8.571435 ?              ?        
1 1 1 12  33 35 o 19.12910 8.166161 9.778603       27.01854 0.000000       0.000000 9.778603       27.01854 ?        ?        19.12910 8.166161 ?              ?        
1 1 1 12  33 36 o 42.39906 13.39683 144.8000       62.21642 0.000000       0.000000 144.8000       62.21642 ?        ?        42.39906 13.39683 ?              ?        
1 1 1 12  33 37 o 47.98763 7.083398 131.2759       32.27288 0.000000       0.000000 131.2759       32.27288 ?        ?        47.98763 7.083398 ?              ?        
1 1 1 12  33 38 o 27.62844 8.924755 47.95013       27.49416 0.000000       0.000000 47.95013       27.49416 ?        ?        27.62844 8.924755 ?              ?        
1 1 1 12  33 39 o 19.53181 8.226551 13.41561       26.80352 0.000000       0.000000 13.41561       26.80352 ?        ?        19.53181 8.226551 ?              ?        
1 1 1 12  33 40 o 17.30193 7.626390 3.137038       25.16473 0.000000       0.000000 3.137038       25.16473 ?        ?        17.30193 7.626390 ?              ?        
1 1 1 12  33 41 o 21.16611 8.375428 23.70598       25.72324 0.000000       0.000000 23.70598       25.72324 ?        ?        21.16611 8.375428 ?              ?        
1 1 1 12  34 0  o 45.61460 4.454573 106.0121       19.63597 141.8000       55.55017 100.9019       20.99113 47.77469 11.91881 44.30029 4.923958 3.474400       12.89587 
1 1 1 12  34 1  o 59.35019 3.821671 177.1770       22.08346 86.96000       56.97073 193.1295       23.95648 37.03219 12.85888 61.90724 3.974438 -24.87505      13.45908 
1 1 1 12  34 2  o 30.68939 6.164333 50.43510       17.87386 58.01000       53.28162 49.47458       18.97327 32.04695 12.22629 30.22200 6.599154 1.824953       13.89356 
1 1 1 12  34 3  f 29.66637 6.465003 47.58038       18.24163 34.41000       52.04564 49.42489       19.47716 28.34093 11.65968 30.13132 6.769527 -1.790394      13.48238 
1 1 1 12  34 4  o 37.35439 5.190674 72.53360       18.46684 91.55000       52.63111 69.86376       19.72062 37.94107 12.35518 36.42871 5.718737 1.512367       13.61449 
1 1 1 12  34 5  o 41.14159 6.611927 90.71152       25.72462 109.7000       53.03646 84.87000       29.41659 41.42552 12.23469 39.03713 7.968475 2.388386       14.60083 
1 1 1 12  34 6  o 30.08408 6.616083 49.22977       18.95143 117.6000       51.51290 38.52745       20.38080 43.16377 11.83878 26.37190 7.525586 16.79187       14.02822 
1 1 1 12  34 7  o 25.09585 7.331906 34.68351       19.13485 0.000000       0.000000 34.68351       19.13485 ?        ?        25.09585 7.331906 ?              ?        
1 1 1 12  34 8  o 59.95939 4.317851 182.7191       25.17172 0.000000       0.000000 182.7191       25.17172 ?        ?        59.95939 4.317851 ?              ?        
1 1 1 12  34 9  o 26.29662 8.524162 38.54680       25.06814 46.52000       49.94003 35.86109       28.98426 29.59119 11.68224 25.80965 9.155424 3.781540       14.84239 
1 1 1 12  34 10 o 18.16516 7.528863 8.298330       21.91827 -17.53000      48.36531 14.97374       24.58809 21.41419 9.884619 20.28846 8.135365 1.125732       12.80195 
1 1 1 12  34 11 o 30.22339 7.839491 51.61780       23.38634 58.37000       47.60329 49.46970       26.84986 31.36072 11.64336 29.32015 8.716764 2.040565       14.54475 
1 1 1 12  34 12 o 57.02252 4.092642 164.9814       22.69125 101.5000       51.12947 180.5511       25.32149 39.42807 12.09614 59.51558 4.377250 -20.08751      12.86379 
1 1 1 12  34 13 o 24.78088 8.105684 33.91047       22.64053 16.29000       44.89128 39.92134       26.21935 24.38135 10.46966 26.58930 8.724315 -2.207949      13.62819 
1 1 1 12  34 14 o 12.35737 5.825455 -17.33075      18.29065 0.000000       0.000000 -17.33075      18.29065 ?        ?        12.35737 5.825455 ?              ?        
1 1 1 12  34 15 o 39.53684 5.213146 81.83711       19.68363 33.22000       43.46617 94.37919       22.07707 26.54505 10.75536 42.37672 5.448322 -15.83167      12.05662 
1 1 1 12  34 16 o 28.88027 6.402484 45.70845       17.62377 36.07000       38.09300 48.33338       19.87926 26.41016 10.26857 29.45216 6.999394 -3.042007      12.42719 
1 1 1 12  34 17 o 51.06049 4.061394 132.7741       20.13147 84.01000       40.46014 148.8187       23.20823 36.50834 10.66019 53.87409 4.440434 -17.36575      11.54803 
1 1 1 12  34 18 o 61.44907 3.623141 190.5716       21.69577 133.3000       42.09327 211.2905       25.31781 47.43191 9.398786 64.48493 4.031249 -17.05302      10.22683 
1 1 1 12  34 19 o 32.69909 5.338126 56.71886       16.49669 66.15000       34.49832 53.92298       18.78343 32.79305 9.911176 31.40003 6.330207 1.393021       11.76023 
1 1 1 12  34 20 o 27.77112 5.898403 41.95039       15.53808 2.462000       32.38626 53.75781       17.70939 19.69738 8.668153 31.49897 5.962099 -11.80160      10.52062 
1 1 1 12  34 21 o 28.94746 6.404009 46.30534       17.66417 0.000000       0.000000 46.30534       17.66417 ?        ?        28.94746 6.404009 ?              ?        
1 1 1 12  34 22 f 24.23086 6.320705 32.55913       15.14561 0.000000       0.000000 32.55913       15.14561 ?        ?        24.23086 6.320705 ?              ?        
1 1 1 12  34 23 o 22.95279 8.195369 28.53201       23.25987 19.04000       25.53315 74.83000       56.39056 20.96946 8.329430 32.86744 12.56846 -11.89797      15.07798 
1 1 1 12  34 24 o 54.83762 3.781329 152.9949       20.17261 118.2000       31.62982 176.8517       26.19054 45.88930 7.284864 58.44554 4.615557 -12.55624      8.623956 
1 1 1 12  34 25 o 60.91230 3.199012 186.8378       19.00650 179.2000       32.26374 190.8971       23.52109 57.86680 5.773078 61.12518 3.952443 -3.258373      6.996445 
1 1 1 12  34 26 o 20.89023 5.248485 23.77598       10.71708 27.62000       16.79019 21.13309       13.92203 22.16787 6.953420 19.72013 6.349069 2.447742       9.415982 
1 1 1 12  34 27 o 45.72190 7.408207 119.1981       32.02104 0.000000       0.000000 119.1981       32.02104 ?        ?        45.72190 7.408207 ?              ?        
1 1 1 12  34 28 o 24.40969 8.891639 34.43478       27.54599 0.000000       0.000000 34.43478       27.54599 ?        ?        24.40969 8.891639 ?              ?        
1 1 1 12  34 29 o 15.97381 7.454319 -16.22000      28.67769 0.000000       0.000000 -16.22000      28.67769 ?        ?        15.97381 7.454319 ?              ?        
1 1 1 12  34 30 o 30.74953 12.63967 67.88000       61.09346 0.000000       0.000000 67.88000       61.09346 ?        ?        30.74953 12.63967 ?              ?        
1 1 1 12  34 31 o 14.62685 6.887385 -18.82832      25.43486 0.000000       0.000000 -18.82832      25.43486 ?        ?        14.62685 6.887385 ?              ?        
1 1 1 12  34 32 o 29.95996 9.221617 57.00949       29.68598 0.000000       0.000000 57.00949       29.68598 ?        ?        29.95996 9.221617 ?              ?        
1 1 1 12  34 33 o 31.21443 9.696200 63.43000       32.73254 0.000000       0.000000 63.43000       32.73254 ?        ?        31.21443 9.696200 ?              ?        
1 1 1 12  34 34 o 46.30375 7.714404 125.0000       33.73475 0.000000       0.000000 125.0000       33.73475 ?        ?        46.30375 7.714404 ?              ?        
1 1 1 12  34 35 o 33.01516 9.122248 69.47223       30.45779 0.000000       0.000000 69.47223       30.45779 ?        ?        33.01516 9.122248 ?              ?        
1 1 1 12  34 36 o 23.79837 8.840149 32.92587       27.44746 0.000000       0.000000 32.92587       27.44746 ?        ?        23.79837 8.840149 ?              ?        
1 1 1 12  34 37 o 21.82321 8.580291 24.84487       26.84243 0.000000       0.000000 24.84487       26.84243 ?        ?        21.82321 8.580291 ?              ?        
1 1 1 12  34 38 o 16.60920 7.495776 -2.779627      25.85527 0.000000       0.000000 -2.779627      25.85527 ?        ?        16.60920 7.495776 ?              ?        
1 1 1 12  34 39 o 15.95563 7.276352 -5.454979      25.15134 0.000000       0.000000 -5.454979      25.15134 ?        ?        15.95563 7.276352 ?              ?        
1 1 1 12  34 40 o 21.05300 8.382767 23.22358       25.92148 0.000000       0.000000 23.22358       25.92148 ?        ?        21.05300 8.382767 ?              ?        
1 1 1 12  35 0  o 48.72255 4.365920 121.2032       20.60102 103.4000       53.77695 124.2652       22.30238 39.57430 12.44859 49.18490 4.689157 -9.610603      13.30246 
1 1 1 12  35 1  o 22.16760 7.072007 26.37173       17.30200 40.56000       49.28751 24.37756       18.47794 28.51409 11.48874 21.61300 7.329224 6.901091       13.62750 
1 1 1 12  35 2  o 73.52673 3.635669 271.7880       26.08476 180.1000       57.74434 295.2944       29.23791 53.97928 11.29234 76.48531 3.918429 -22.50603      11.95286 
1 1 1 12  35 3  o 23.93116 7.198383 31.45413       18.22904 20.90000       48.29553 33.20755       19.68513 25.60027 10.92300 24.52812 7.501840 1.072142       13.25102 
1 1 1 12  35 4  o 20.15254 7.393981 19.29034       19.09967 -7.423000      47.79862 24.36607       20.83535 22.20702 10.08968 21.87964 7.762322 0.3273811      12.73009 
1 1 1 12  35 5  o 30.35805 8.099353 52.60592       24.51206 30.91000       49.64551 59.60000       28.18747 27.07028 11.28454 32.01550 8.747901 -4.945219      14.27819 
1 1 1 12  35 6  o 29.90840 6.548875 48.94884       18.63948 3.548000       48.61810 56.77194       20.18159 23.49416 10.46480 32.23278 6.618416 -8.738623      12.38206 
1 1 1 12  35 7  f 25.56537 8.604663 36.29924       25.46767 7.904000       48.20550 47.29350       29.99554 23.88189 10.53982 28.54864 9.329342 -4.666756      14.07567 
1 1 1 12  35 8  o 33.93953 9.018916 67.82843       30.46979 0.000000       0.000000 67.82843       30.46979 ?        ?        33.93953 9.018916 ?              ?        
1 1 1 12  35 9  o 35.08206 6.445891 66.84689       21.31930 0.000000       0.000000 66.84689       21.31930 ?        ?        35.08206 6.445891 ?              ?        
1 1 1 12  35 10 o 40.60017 5.247681 86.37837       20.36727 104.6000       48.72907 82.52125       22.41953 40.00597 11.70379 39.27328 6.024025 0.7326851      13.16311 
1 1 1 12  35 11 o 37.53996 6.942072 77.55749       24.56940 100.5000       47.91930 69.37520       28.61721 39.23090 11.64048 34.54257 8.518162 4.688328       14.42428 
1 1 1 12  35 12 o 21.36975 8.384072 19.74671       25.58171 0.000000       0.000000 19.74671       25.58171 ?        ?        21.36975 8.384072 ?              ?        
1 1 1 12  35 13 o 33.66410 6.148046 61.37507       19.51238 32.71000       44.37527 68.24583       21.72536 26.38457 10.80070 35.34100 6.520484 -8.956423      12.61633 
1 1 1 12  35 14 o 38.81003 5.293713 79.29606       19.58628 124.5000       43.78282 67.98640       21.89980 45.08277 10.16517 35.22790 6.593356 9.854874       12.11623 
1 1 1 12  35 15 o 47.50637 4.423313 116.0097       20.33230 46.31000       41.22974 138.4071       23.37191 28.36709 10.77101 51.78944 4.660275 -23.42236      11.73596 
1 1 1 12  35 16 o 73.03301 3.493475 268.6820       24.90130 196.3000       46.46487 297.8469       29.49444 58.66138 8.325789 76.60550 3.946759 -17.94412      9.213885 
1 1 1 12  35 17 o 35.77931 5.203475 67.61529       17.68979 76.54000       36.16266 64.80791       20.28211 35.00161 10.03609 34.48753 6.237761 0.5140800      11.81663 
1 1 1 12  35 18 o 15.13794 6.233068 5.841550       14.88982 14.23000       31.82850 3.491409       16.84699 21.31722 8.970757 15.27593 6.482171 6.041288       11.06766 
1 1 1 12  35 19 o 34.72678 5.056306 63.64126       16.68280 47.88000       32.32987 69.36115       19.47611 28.18172 9.691388 35.92948 5.730244 -7.747759      11.25872 
1 1 1 12  35 20 o 22.80402 6.409416 28.91507       14.89777 31.48000       29.68338 28.05144       17.22422 24.22408 9.152562 22.44446 7.043082 1.779613       11.54878 
1 1 1 12  35 21 o 34.31163 5.310530 62.72870       17.25986 0.000000       0.000000 62.72870       17.25986 ?        ?        34.31163 5.310530 ?              ?        
1 1 1 12  35 22 f 22.84333 7.087398 29.37579       17.49426 0.000000       0.000000 29.37579       17.49426 ?        ?        22.84333 7.087398 ?              ?        
1 1 1 12  35 23 o 17.57997 6.917745 12.54973       17.46079 11.74000       23.62732 13.52408       25.91791 18.88521 7.821146 19.74846 8.186232 -0.8632412     11.32187 
1 1 1 12  35 24 f 45.67358 3.624122 106.3764       16.06946 103.9000       27.63339 107.6418       19.75277 43.10483 6.772480 45.46264 4.497695 -2.357807      8.129929 
1 1 1 12  35 25 o 17.62531 5.696133 16.49644       11.19893 18.74000       17.87639 15.04716       14.36773 19.34146 7.143483 17.57183 6.418448 1.769629       9.603428 
1 1 1 12  35 26 o 32.53595 9.031988 66.27792       29.78092 0.000000       0.000000 66.27792       29.78092 ?        ?        32.53595 9.031988 ?              ?        
1 1 1 12  35 27 o 48.62159 6.864228 132.5880       31.76059 0.000000       0.000000 132.5880       31.76059 ?        ?        48.62159 6.864228 ?              ?        
1 1 1 12  35 28 o 49.97034 6.849546 140.1543       32.62201 0.000000       0.000000 140.1543       32.62201 ?        ?        49.97034 6.849546 ?              ?        
1 1 1 12  35 29 o 28.77553 9.110584 52.18148       28.76049 0.000000       0.000000 52.18148       28.76049 ?        ?        28.77553 9.110584 ?              ?        
1 1 1 12  35 30 o 14.53338 6.891109 -21.97358      26.29889 0.000000       0.000000 -21.97358      26.29889 ?        ?        14.53338 6.891109 ?              ?        
1 1 1 12  35 31 o 27.09302 9.834797 46.52000       33.65913 0.000000       0.000000 46.52000       33.65913 ?        ?        27.09302 9.834797 ?              ?        
1 1 1 12  35 32 o 28.44153 12.24450 51.90000       61.70067 0.000000       0.000000 51.90000       61.70067 ?        ?        28.44153 12.24450 ?              ?        
1 1 1 12  35 33 o 19.33087 9.392861 -49.00000      56.15001 0.000000       0.000000 -49.00000      56.15001 ?        ?        19.33087 9.392861 ?              ?        
1 1 1 12  35 34 o 30.16604 9.111683 58.41351       29.16340 0.000000       0.000000 58.41351       29.16340 ?        ?        30.16604 9.111683 ?              ?        
1 1 1 12  35 35 o 29.87996 9.045039 57.24244       28.71619 0.000000       0.000000 57.24244       28.71619 ?        ?        29.87996 9.045039 ?              ?        
1 1 1 12  35 36 o 18.18582 7.886304 7.135780       25.96512 0.000000       0.000000 7.135780       25.96512 ?        ?        18.18582 7.886304 ?              ?        
1 1 1 12  35 37 o 32.61660 8.682107 68.00114       28.20640 0.000000       0.000000 68.00114       28.20640 ?        ?        32.61660 8.682107 ?              ?        
1 1 1 12  35 38 o 26.68317 8.925278 46.71130       27.40461 0.000000       0.000000 46.71130       27.40461 ?        ?        26.68317 8.925278 ?              ?        
1 1 1 12  35 39 o 22.07650 8.496733 28.48269       25.88539 0.000000       0.000000 28.48269       25.88539 ?        ?        22.07650 8.496733 ?              ?        
1 1 1 12  36 0  o 82.86862 3.544429 345.5149       28.68391 269.1000       61.13819 367.0823       32.48055 67.75916 9.476855 85.17269 3.906381 -17.41353      10.25039 
1 1 1 12  36 1  o 44.04278 4.863402 100.6428       20.61750 89.24000       50.37220 102.9375       22.59703 36.57461 12.09683 44.30967 5.316125 -7.735062      13.21342 
1 1 1 12  36 2  o 68.04169 3.812593 234.1425       25.29072 157.2000       55.31732 254.4757       28.43675 49.43367 11.62818 70.75082 4.124101 -21.31714      12.33786 
1 1 1 12  36 3  o 29.63268 7.062694 49.09433       20.19420 71.11000       48.47923 44.47222       22.21313 33.19793 11.83397 27.91066 7.819880 5.287270       14.18427 
1 1 1 12  36 4  o 55.13610 4.222693 155.1759       22.61592 111.3000       52.54915 165.1503       25.05505 40.65311 12.22037 56.70317 4.552431 -16.05007      13.04079 
1 1 1 12  36 5  o 62.88861 3.931915 200.6150       24.08263 160.8000       54.77598 210.1553       26.81312 50.18912 11.40934 64.15685 4.294438 -13.96773      12.19079 
1 1 1 12  36 6  o 38.46301 7.400023 82.74434       26.84878 71.71000       48.76260 87.54488       32.16317 33.21871 11.86552 38.70293 8.701967 -5.484222      14.71444 
1 1 1 12  36 7  o 45.09443 4.832359 105.5443       20.99763 106.7000       48.60025 105.2791       23.28282 40.19160 11.66848 44.71110 5.431294 -4.519501      12.87060 
1 1 1 12  36 8  o 27.16715 7.026897 41.42761       18.82509 104.6000       46.50234 29.04583       20.58746 40.05622 11.34667 23.06261 7.736217 16.99361       13.73303 
1 1 1 12  36 9  o 19.77745 7.881738 15.31468       22.93510 0.000000       0.000000 15.31468       22.93510 ?        ?        19.77745 7.881738 ?              ?        
1 1 1 12  36 10 o 65.73701 4.327277 221.0520       27.68910 0.000000       0.000000 221.0520       27.68910 ?        ?        65.73701 4.327277 ?              ?        
1 1 1 12  36 11 o 17.57569 7.308097 8.008154       20.74591 23.80000       42.61678 3.103613       23.74999 24.70604 10.38761 17.50058 7.565819 7.205458       12.85084 
1 1 1 12  36 12 o 11.83126 5.727436 -29.13875      20.37678 -18.86000      40.03001 -32.73369      23.67344 19.02692 8.854935 12.77258 6.180783 6.254337       10.79870 
1 1 1 12  36 13 o 22.71654 7.270322 28.55110       18.27472 42.44000       41.14801 25.13848       20.39666 27.45137 10.67267 21.80405 7.685261 5.647312       13.15177 
1 1 1 12  36 14 o 38.10234 5.387548 77.08411       19.53329 82.94000       41.87508 75.45558       22.08300 35.56548 10.95337 37.18621 6.291065 -1.620731      12.63146 
1 1 1 12  36 15 o 15.42124 6.488283 4.504479       16.64478 2.309000       33.99117 5.196975       19.09018 19.93668 8.822192 16.39911 6.926769 3.537579       11.21656 
1 1 1 12  36 16 o 15.81769 6.525413 6.640141       16.36070 -4.769000      31.67938 10.78999       19.10584 18.39219 8.299111 17.65298 7.138592 0.7392159      10.94691 
1 1 1 12  36 17 o 42.16191 4.504664 92.27009       18.30271 59.44000       34.37653 105.2581       21.62211 30.68767 9.984691 44.76056 5.021591 -14.07289      11.17633 
1 1 1 12  36 18 o 28.52284 6.258885 45.07730       16.99324 30.13000       31.63566 51.13919       20.14649 24.08019 9.359189 30.03851 6.984594 -5.958321      11.67814 
1 1 1 12  36 19 o 17.03962 6.462049 12.85967       14.82918 32.41000       29.94924 6.509786       17.06836 24.31001 9.191570 15.96419 6.632626 8.345827       11.33476 
1 1 1 12  36 20 o 32.96973 5.669696 58.96212       17.63753 51.99000       31.46314 62.15710       21.29874 28.83196 9.561318 33.21196 6.781297 -4.380003      11.72198 
1 1 1 12  36 21 o 12.11692 5.624053 -10.69712      15.98160 0.000000       0.000000 -10.69712      15.98160 ?        ?        12.11692 5.624053 ?              ?        
1 1 1 12  36 22 o 54.03287 4.131879 150.4662       21.68727 0.000000       0.000000 150.4662       21.68727 ?        ?        54.03287 4.131879 ?              ?        
1 1 1 12  36 23 o 34.49515 4.336861 62.16637       14.32045 78.90000       25.90478 54.80204       17.18508 36.90128 7.429211 31.61964 5.764837 5.281641       9.403538 
1 1 1 12  36 24 o 35.43818 4.125199 65.21547       14.04224 59.81000       23.45490 68.23540       17.53133 31.85390 7.624202 35.70378 5.166429 -3.849890      9.209801 
1 1 1 12  36 25 o 20.50596 6.281353 23.36478       13.79415 20.25000       16.04782 32.17727       26.99303 19.52076 6.821805 23.77829 8.778745 -4.257536      11.11771 
1 1 1 12  36 26 o 28.30930 9.032871 50.31609       28.22593 0.000000       0.000000 50.31609       28.22593 ?        ?        28.30930 9.032871 ?              ?        
1 1 1 12  36 27 o 20.95773 8.534258 19.35898       27.52841 0.000000       0.000000 19.35898       27.52841 ?        ?        20.95773 8.534258 ?              ?        
1 1 1 12  36 28 o 15.14930 7.069942 -14.87864      25.80222 0.000000       0.000000 -14.87864      25.80222 ?        ?        15.14930 7.069942 ?              ?        
1 1 1 12  36 29 o 29.32577 9.119213 54.71933       28.94431 0.000000       0.000000 54.71933       28.94431 ?        ?        29.32577 9.119213 ?              ?        
1 1 1 12  36 30 o 24.64072 9.514986 35.42000       32.53813 0.000000       0.000000 35.42000       32.53813 ?        ?        24.64072 9.514986 ?              ?        
1 1 1 12  36 31 o 17.94058 7.886186 3.794176       26.73735 0.000000       0.000000 3.794176       26.73735 ?        ?        17.94058 7.886186 ?              ?        
1 1 1 12  36 32 o 21.16050 10.04602 -19.33000      56.23542 0.000000       0.000000 -19.33000      56.23542 ?        ?        21.16050 10.04602 ?              ?        
1 1 1 12  36 33 o 24.24457 9.461446 34.22000       32.43508 0.000000       0.000000 34.22000       32.43508 ?        ?        24.24457 9.461446 ?              ?        
1 1 1 12  36 34 o 20.51428 9.818119 -25.56000      55.99927 0.000000       0.000000 -25.56000      55.99927 ?        ?        20.51428 9.818119 ?              ?        
1 1 1 12  36 35 o 25.37932 8.811036 40.82227       26.74795 0.000000       0.000000 40.82227       26.74795 ?        ?        25.37932 8.811036 ?              ?        
1 1 1 12  36 36 o 24.99353 8.939631 40.06397       27.68873 0.000000       0.000000 40.06397       27.68873 ?        ?        24.99353 8.939631 ?              ?        
1 1 1 12  36 37 o 21.04219 8.474474 23.11407       26.80461 0.000000       0.000000 23.11407       26.80461 ?        ?        21.04219 8.474474 ?              ?        
1 1 1 12  37 0  o 11.01369 5.300655 -22.51613      16.84425 -35.33000      41.58113 -20.00056      18.42361 17.95199 8.555526 12.01945 5.718804 5.932537       10.29086 
1 1 1 12  37 1  o 70.99361 4.044883 256.5140       27.99178 199.9000       54.47367 276.8265       32.62922 57.33690 10.07356 73.37810 4.565526 -16.04120      11.05987 
1 1 1 12  37 2  o 14.56052 6.471496 -3.228189      18.49016 -9.512000      43.97563 -1.878699      20.37911 20.83445 9.546623 15.50234 6.846817 5.332107       11.74806 
1 1 1 12  37 3  o 51.03959 4.358972 133.8331       21.56873 125.7000       49.20653 135.7673       23.99689 43.83395 11.37234 51.12458 4.853471 -7.290630      12.36472 
1 1 1 12  37 4  o 35.64788 7.831306 72.90308       26.57755 -9.985000      46.84797 112.2411       32.27386 21.34014 9.806088 44.58368 7.672197 -23.24354      12.45078 
1 1 1 12  37 5  f 72.70625 4.673764 272.6517       33.08554 185.1000       54.93885 322.4737       41.44362 54.34520 10.70891 78.40202 5.434002 -24.05682      12.00871 
1 1 1 12  37 6  o 29.15918 6.736418 47.49103       18.84013 67.03000       45.39159 43.42443       20.70811 32.06864 11.44878 27.54916 7.485867 4.519480       13.67892 
1 1 1 12  37 7  o 25.72207 7.684798 37.89347       20.82875 15.48000       43.81057 44.43915       23.67562 23.59004 10.23682 27.59214 8.180891 -4.002104      13.10418 
1 1 1 12  37 8  o 35.13131 6.729383 68.50108       22.29841 0.000000       0.000000 68.50108       22.29841 ?        ?        35.13131 6.729383 ?              ?        
1 1 1 12  37 9  o 26.19976 7.157835 39.05274       18.87322 4.633000       42.36360 47.57582       21.08082 21.91589 9.764729 28.78983 7.430573 -6.873934      12.27043 
1 1 1 12  37 10 o 24.11546 7.852228 32.97011       21.25864 0.000000       0.000000 32.97011       21.25864 ?        ?        24.11546 7.852228 ?              ?        
1 1 1 12  37 11 o 34.19023 6.206486 64.00069       20.00608 52.85000       42.89708 67.10017       22.61627 29.17550 11.00729 34.60406 6.919068 -5.428568      13.00131 
1 1 1 12  37 12 o 22.29388 7.788010 27.07191       20.91446 30.82000       39.05370 25.56474       24.76504 25.00457 10.17139 22.29314 8.373653 2.711426       13.17480 
1 1 1 12  37 13 o 49.36013 5.225179 128.6076       24.86262 94.45000       42.51677 146.3580       30.64927 37.70314 10.90425 51.99484 6.140509 -14.29169      12.51433 
1 1 1 12  37 14 o 15.51566 6.582125 4.054670       17.36263 4.296000       37.89289 3.990539       19.53386 20.88853 9.275281 16.22499 6.935429 4.663542       11.58149 
1 1 1 12  37 15 o 72.47861 4.230662 269.7759       29.88355 229.3000       46.15945 298.9809       39.20943 63.66095 7.554793 75.26662 5.357104 -11.60567      9.261396 
1 1 1 12  37 16 o 32.92727 6.073195 59.60448       18.85302 13.81000       33.32156 81.16658       22.86464 21.24179 9.068451 38.39287 6.302772 -17.15107      11.04363 
1 1 1 12  37 17 o 57.23150 4.866457 171.6692       27.00349 0.000000       0.000000 171.6692       27.00349 ?        ?        57.23150 4.866457 ?              ?        
1 1 1 12  37 18 o 46.38191 5.261829 114.6017       23.46704 78.36000       34.52329 145.7304       31.99549 34.85955 9.742290 51.31166 6.517226 -16.45211      11.72120 
1 1 1 12  37 19 o 11.51684 5.432509 -14.54697      15.95019 -33.88000      26.76653 -3.901762      19.86182 13.58286 6.572713 14.75927 6.622998 -1.176414      9.330844 
1 1 1 12  37 20 o 66.88382 3.324696 226.4823       21.69780 198.1000       38.85169 239.3471       26.15706 59.52079 6.789905 68.31586 3.928224 -8.795067      7.844345 
1 1 1 12  37 21 f 19.25173 6.794405 19.57340       15.94599 0.000000       0.000000 19.57340       15.94599 ?        ?        19.25173 6.794405 ?              ?        
1 1 1 12  37 22 o 16.73419 6.859327 9.175893       17.92764 25.15000       23.13187 -14.85071      28.36930 21.68744 8.103819 15.97022 7.439799 5.717218       11.00102 
1 1 1 12  37 23 o 19.03604 5.921078 19.82297       12.20164 5.348000       21.16961 27.02388       14.93130 16.82768 7.207136 21.86916 6.499969 -5.041479      9.705277 
1 1 1 12  37 24 o 33.62598 5.356050 61.21087       17.03810 44.43000       20.52779 98.37094       30.54732 27.39201 7.457383 40.70924 7.951406 -13.31723      10.90126 
1 1 1 12  37 25 o 21.41567 8.589450 21.90430       27.41647 0.000000       0.000000 21.90430       27.41647 ?        ?        21.41567 8.589450 ?              ?        
1 1 1 12  37 26 o 25.39923 8.962919 39.51410       27.74837 0.000000       0.000000 39.51410       27.74837 ?        ?        25.39923 8.962919 ?              ?        
1 1 1 12  37 27 o 19.99090 8.403908 14.31063       27.88768 0.000000       0.000000 14.31063       27.88768 ?        ?        19.99090 8.403908 ?              ?        
1 1 1 12  37 28 f 21.24247 8.870072 18.72000       30.74976 0.000000       0.000000 18.72000       30.74976 ?        ?        21.24247 8.870072 ?              ?        
1 1 1 12  37 29 o 55.72297 6.596111 174.2871       35.28048 0.000000       0.000000 174.2871       35.28048 ?        ?        55.72297 6.596111 ?              ?        
1 1 1 12  37 30 o 36.73561 13.23333 115.9000       60.79382 0.000000       0.000000 115.9000       60.79382 ?        ?        36.73561 13.23333 ?              ?        
1 1 1 12  37 31 o 14.96325 7.007162 -15.48146      25.70780 0.000000       0.000000 -15.48146      25.70780 ?        ?        14.96325 7.007162 ?              ?        
1 1 1 12  37 32 o 31.85791 8.727660 64.79677       28.01486 0.000000       0.000000 64.79677       28.01486 ?        ?        31.85791 8.727660 ?              ?        
1 1 1 12  37 33 f 29.44376 9.020456 56.86095       28.44630 0.000000       0.000000 56.86095       28.44630 ?        ?        29.44376 9.020456 ?              ?        
1 1 1 12  37 34 o 24.09874 8.780127 36.39453       26.86132 0.000000       0.000000 36.39453       26.86132 ?        ?        24.09874 8.780127 ?              ?        
1 1 1 12  37 35 o 21.23187 8.786347 22.70000       29.78780 0.000000       0.000000 22.70000       29.78780 ?        ?        21.23187 8.786347 ?              ?        
1 1 1 12  38 0  o 48.27331 4.953644 122.0078       23.07488 63.31000       45.59314 142.2199       26.75434 31.02592 11.41711 51.88180 5.344718 -20.85588      12.60620 
1 1 1 12  38 1  o 42.25039 5.406360 94.86024       21.84682 67.85000       44.91737 103.2298       25.00356 31.89998 11.38879 43.71500 6.001650 -11.81502      12.87340 
1 1 1 12  38 2  o 35.32867 5.872894 67.61995       19.59614 18.69000       44.52254 79.37628       21.82370 23.91726 10.34940 38.23747 6.030475 -14.32021      11.97817 
1 1 1 12  38 3  o 51.53959 5.837404 142.3861       28.93086 40.21000       48.72773 198.0132       35.95378 27.29517 11.26101 60.58065 6.148299 -33.28548      12.83012 
1 1 1 12  38 4  o 50.44558 6.010862 137.2246       29.09700 144.3000       49.81137 133.5598       35.84919 46.96502 11.02544 48.27187 7.857133 -1.306854      13.53864 
1 1 1 12  38 5  o 29.31418 7.484214 49.70679       21.54618 36.56000       44.08734 53.83212       24.69638 26.33085 10.77063 30.13526 8.169322 -3.804403      13.51830 
1 1 1 12  38 6  o 19.15139 7.434934 16.25973       19.94653 0.000000       0.000000 16.25973       19.94653 ?        ?        19.15139 7.434934 ?              ?        
1 1 1 12  38 7  o 17.50689 6.945977 11.90432       17.73623 35.31000       39.93062 6.151580       19.79624 25.71838 10.34839 16.73822 7.061002 8.980156       12.52785 
1 1 1 12  38 8  o 37.27158 5.620387 74.74165       19.86761 54.88000       41.79361 80.54041       22.58238 29.30500 10.90409 38.33756 6.231624 -9.032566      12.55915 
1 1 1 12  38 9  o 23.69111 7.380491 31.97774       18.94973 44.57000       40.68172 28.48846       21.41484 27.37397 10.62052 22.67715 7.883236 4.696819       13.22652 
1 1 1 12  38 10 o 38.78012 6.253371 82.52587       22.93001 0.000000       0.000000 82.52587       22.93001 ?        ?        38.78012 6.253371 ?              ?        
1 1 1 12  38 11 o 30.51789 7.607352 54.43624       22.64363 0.000000       0.000000 54.43624       22.64363 ?        ?        30.51789 7.607352 ?              ?        
1 1 1 12  38 12 o 22.19754 7.495035 27.58316       19.32253 34.95000       40.14219 25.36151       22.04441 25.47375 10.33060 21.76376 7.950222 3.709997       13.03562 
1 1 1 12  38 13 o 14.83874 6.696234 -5.199392      20.62898 -16.20000      39.44083 -1.056685      24.20359 18.73529 8.742647 16.65689 7.403633 2.078407       11.45634 
1 1 1 12  38 14 o 52.02297 4.395066 140.6087       22.17117 111.3000       45.41921 149.7773       25.40344 40.12104 11.16029 53.31724 4.923215 -13.19620      12.19796 
1 1 1 12  38 15 f 31.69239 6.620224 56.86192       19.87353 66.52000       35.55240 52.47243       23.96791 31.66123 10.14135 29.50647 8.068346 2.154762       12.95937 
1 1 1 12  38 16 o 17.62481 6.869022 13.44978       17.07771 -1.130000      31.14045 19.72067       20.42275 18.42169 8.277537 19.94767 7.579153 -1.525982      11.22324 
1 1 1 12  38 17 o 24.16770 6.867683 33.68819       17.00847 65.70000       30.21793 18.84351       20.57761 32.15163 9.159788 19.70853 7.578192 12.44310       11.88826 
1 1 1 12  38 18 o 41.51200 5.261157 92.39553       20.89826 59.51000       31.65270 117.8086       27.82510 30.27706 9.554091 46.09019 6.335106 -15.81314      11.46360 
1 1 1 12  38 19 o 22.51431 6.617990 28.87643       15.54894 29.69000       28.88874 28.54462       18.44926 23.25585 8.969433 22.33479 7.317729 0.9210682      11.57583 
1 1 1 12  38 20 o 17.66023 6.431713 15.49508       14.41174 7.340000       26.24693 19.01499       17.24371 18.48420 7.972147 19.23571 7.030716 -0.7515106     10.62949 
1 1 1 12  38 21 o 41.88802 4.972890 93.35392       19.99200 0.000000       0.000000 93.35392       19.99200 ?        ?        41.88802 4.972890 ?              ?        
1 1 1 12  38 22 o 10.98581 5.255270 -18.41757      16.00238 -8.975000      19.61892 -37.18724      27.66039 13.79403 6.341213 13.51880 6.574209 0.2752256      9.134068 
1 1 1 12  38 23 o 20.82879 5.779251 24.22274       12.19638 53.95000       20.51092 7.962244       15.16962 30.46273 7.022586 15.55383 6.334666 14.90890       9.457521 
1 1 1 12  38 24 o 23.83523 9.117020 32.77126       29.67739 0.000000       0.000000 32.77126       29.67739 ?        ?        23.83523 9.117020 ?              ?        
1 1 1 12  38 25 o 16.71751 7.622035 -6.063753      27.57751 0.000000       0.000000 -6.063753      27.57751 ?        ?        16.71751 7.622035 ?              ?        
1 1 1 12  38 26 o 22.46749 8.835700 26.92844       28.47013 0.000000       0.000000 26.92844       28.47013 ?        ?        22.46749 8.835700 ?              ?        
1 1 1 12  38 27 o 22.67494 9.191191 26.69000       31.75818 0.000000       0.000000 26.69000       31.75818 ?        ?        22.67494 9.191191 ?              ?        
1 1 1 12  38 28 o 24.50579 8.906213 36.70474       27.61427 0.000000       0.000000 36.70474       27.61427 ?        ?        24.50579 8.906213 ?              ?        
1 1 1 12  38 29 o 29.79707 12.36816 68.78000       59.27285 0.000000       0.000000 68.78000       59.27285 ?        ?        29.79707 12.36816 ?              ?        
1 1 1 12  38 30 f 21.96600 8.606524 26.35887       26.92684 0.000000       0.000000 26.35887       26.92684 ?        ?        21.96600 8.606524 ?              ?        
1 1 1 12  38 31 o 22.05984 8.597250 27.24718       26.75150 0.000000       0.000000 27.24718       26.75150 ?        ?        22.05984 8.597250 ?              ?        
1 1 1 12  38 32 o 26.60944 8.914855 46.55999       27.33931 0.000000       0.000000 46.55999       27.33931 ?        ?        26.60944 8.914855 ?              ?        
1 1 1 12  38 33 o 24.43005 8.660336 38.45675       25.93062 0.000000       0.000000 38.45675       25.93062 ?        ?        24.43005 8.660336 ?              ?        
1 1 1 12  38 34 o 14.26332 6.730145 -15.91289      24.51538 0.000000       0.000000 -15.91289      24.51538 ?        ?        14.26332 6.730145 ?              ?        
1 1 1 12  39 0  o 20.73656 7.407023 22.85955       19.00209 27.66000       41.37210 21.57614       21.39195 24.45170 10.25483 20.68328 7.779636 3.768421       12.87184 
1 1 1 12  39 1  o 26.89540 6.993698 41.55432       18.58131 95.83000       43.97980 29.76074       20.50093 37.30952 11.17149 22.90908 7.720190 14.40044       13.57953 
1 1 1 12  39 2  o 37.68891 9.367082 88.91135       34.40571 63.64000       45.26183 123.5000       52.95228 30.57977 11.35340 41.20712 12.23894 -10.62735      16.69405 
1 1 1 12  39 3  o 20.18504 7.348423 21.11343       18.81018 45.10000       43.86257 15.70805       20.82203 27.33386 10.89760 19.08960 7.541154 8.244263       13.25242 
1 1 1 12  39 4  o 28.97877 7.635810 49.41992       21.95886 0.000000       0.000000 49.41992       21.95886 ?        ?        28.97877 7.635810 ?              ?        
1 1 1 12  39 5  o 41.78128 5.211075 92.97189       20.84956 107.0000       46.05593 89.35595       23.38279 39.20370 11.35225 40.36502 6.108956 -1.161316      12.89158 
1 1 1 12  39 6  o 23.99503 7.334947 33.29600       18.82220 -6.313000      42.41853 43.00668       21.00310 20.31014 9.332134 27.01369 7.616471 -6.703543      12.04572 
1 1 1 12  39 7  o 22.35910 7.416485 28.36016       18.93025 -30.83000      42.43182 43.06855       21.15191 18.08029 8.623885 26.99170 7.654795 -8.911409      11.53114 
1 1 1 12  39 8  o 31.00749 6.795197 54.85764       20.05332 52.25000       43.01096 55.58192       22.66783 28.30700 10.93722 30.70323 7.586993 -2.396231      13.31110 
1 1 1 12  39 9  o 37.01268 5.966618 75.30357       20.88165 14.49000       43.03753 94.02805       23.88097 22.62400 9.972822 41.34592 6.082440 -18.72192      11.68132 
1 1 1 12  39 10 f 18.45701 7.258627 14.89502       19.21421 15.06000       41.58281 14.85023       21.66586 22.47047 9.857427 18.95495 7.624179 3.515520       12.46182 
1 1 1 12  39 11 o 39.60711 6.327044 87.19876       23.70405 0.000000       0.000000 87.19876       23.70405 ?        ?        39.60711 6.327044 ?              ?        
1 1 1 12  39 12 o 26.05256 8.080759 40.93304       22.74373 0.000000       0.000000 40.93304       22.74373 ?        ?        26.05256 8.080759 ?              ?        
1 1 1 12  39 13 o 15.55356 7.000218 -3.803679      22.37383 41.03000       40.92966 -22.91000      26.71927 26.10901 10.48696 14.54434 6.910658 11.56467       12.55920 
1 1 1 12  39 14 o 19.54865 7.672760 17.80894       21.43265 -3.357000      31.80810 35.41000       29.00602 18.19634 8.252931 24.46131 9.087431 -6.264969      12.27568 
1 1 1 12  39 15 f 39.06024 5.209099 81.87276       19.42003 58.45000       33.18357 94.07368       23.94971 29.78021 9.817003 41.26081 6.114821 -11.48060      11.56566 
1 1 1 12  39 16 o 53.37336 4.815529 150.1498       24.88762 116.7000       36.28956 179.8523       34.19644 43.57518 8.811380 57.14999 6.212930 -13.57481      10.78151 
1 1 1 12  39 17 o 42.91507 4.633621 96.93664       19.15596 91.74000       33.99418 99.35458       23.18812 38.02987 9.227268 42.72787 5.685275 -4.697994      10.83812 
1 1 1 12  39 18 o 15.12293 6.351483 5.337277       15.90596 -6.454000      29.53738 10.15308       18.87670 17.19697 7.858798 17.13626 7.032941 0.6070900E-01  10.54623 
1 1 1 12  39 19 o 49.23831 3.906454 124.9913       18.67327 97.13000       32.36616 138.8922       22.86183 39.75162 8.570751 51.43590 4.589009 -11.68428      9.721974 
1 1 1 12  39 20 o 44.33828 3.973464 101.7035       17.06201 80.04000       29.48291 112.6119       20.92126 35.98885 8.505040 46.19532 4.691850 -10.20647      9.713350 
1 1 1 12  39 21 o 19.17210 6.816488 19.59251       16.07494 0.000000       0.000000 19.59251       16.07494 ?        ?        19.17210 6.816488 ?              ?        
1 1 1 12  39 22 o 23.76262 6.976229 32.95745       17.28702 34.51000       22.18262 30.55631       27.58659 24.01414 8.029972 23.15320 8.805978 0.8609352      11.91745 
1 1 1 12  39 23 o 29.81978 6.199448 50.18336       17.50428 45.93000       21.55179 58.42748       30.00471 27.58595 7.693018 29.95119 9.280040 -2.365246      12.05411 
1 1 1 12  39 24 o 31.55695 9.234313 64.84804       30.33176 0.000000       0.000000 64.84804       30.33176 ?        ?        31.55695 9.234313 ?              ?        
1 1 1 12  39 25 o 20.72195 8.922104 14.81000       32.76694 0.000000       0.000000 14.81000       32.76694 ?        ?        20.72195 8.922104 ?              ?        
1 1 1 12  39 26 o 19.35587 8.217196 12.65930       27.09353 0.000000       0.000000 12.65930       27.09353 ?        ?        19.35587 8.217196 ?              ?        
1 1 1 12  39 27 o 24.49908 11.09648 22.96000       57.26831 0.000000       0.000000 22.96000       57.26831 ?        ?        24.49908 11.09648 ?              ?        
1 1 1 12  39 28 o 25.51894 8.994928 41.76631       27.94087 0.000000       0.000000 41.76631       27.94087 ?        ?        25.51894 8.994928 ?              ?        
1 1 1 12  39 29 o 15.16161 7.059545 -11.93026      25.49253 0.000000       0.000000 -11.93026      25.49253 ?        ?        15.16161 7.059545 ?              ?        
1 1 1 12  39 30 o 20.42245 8.307631 20.66675       26.05351 0.000000       0.000000 20.66675       26.05351 ?        ?        20.42245 8.307631 ?              ?        
1 1 1 12  39 31 o 26.07445 8.887428 45.40731       27.17420 0.000000       0.000000 45.40731       27.17420 ?        ?        26.07445 8.887428 ?              ?        
1 1 1 12  39 32 o 24.14744 8.760561 38.05816       26.70258 0.000000       0.000000 38.05816       26.70258 ?        ?        24.14744 8.760561 ?              ?        
1 1 1 12  40 0  o 20.42076 7.700644 21.44441       20.98959 38.30000       45.63437 16.92172       23.63841 25.96850 10.82167 19.76087 7.958311 6.207628       13.43292 
1 1 1 12  40 1  o 20.39919 9.638547 -19.83000      50.60041 0.000000       0.000000 -19.83000      50.60041 ?        ?        20.39919 9.638547 ?              ?        
1 1 1 12  40 2  o 60.85737 4.626719 193.8657       27.35430 0.000000       0.000000 193.8657       27.35430 ?        ?        60.85737 4.626719 ?              ?        
1 1 1 12  40 3  o 38.26042 5.706487 79.87310       20.71846 70.18000       47.58601 82.14035       23.01433 31.08000 11.62120 38.35836 6.351692 -7.278358      13.24372 
1 1 1 12  40 4  o 25.06720 7.396568 37.05377       19.39165 98.73000       45.46315 23.33740       21.43978 36.94716 11.41898 20.95599 7.807482 15.99117       13.83292 
1 1 1 12  40 5  o 12.45764 5.864276 -15.12189      18.41587 -21.11000      43.10313 -13.78471      20.36854 18.84974 8.903255 13.40106 6.263098 5.448683       10.88551 
1 1 1 12  40 6  o 25.12249 7.510599 37.43225       19.89015 69.08000       46.27547 30.26052       22.02884 30.85329 11.47509 22.86959 7.992548 7.983704       13.98423 
1 1 1 12  40 7  o 18.37575 7.233931 14.95617       19.10047 24.27000       43.77473 12.76592       21.22784 23.75379 10.27038 18.30885 7.479644 5.444948       12.70534 
1 1 1 12  40 8  o 18.05684 7.186855 13.76365       19.04543 -3.009000      42.87510 17.88682       21.25787 20.44557 9.389893 19.50288 7.645400 0.9426842      12.10877 
1 1 1 12  40 9  o 18.77112 7.311296 16.31969       19.33822 43.74000       42.48055 9.152020       21.71915 26.51311 10.67176 17.65193 7.418293 8.861187       12.99683 
1 1 1 12  40 10 o 19.24336 7.342497 18.17391       19.21812 8.167000       42.36263 20.76707       21.56490 21.58770 9.680953 20.27578 7.767632 1.311926       12.41197 
1 1 1 12  40 11 o 52.22521 5.318394 146.2131       26.80841 0.000000       0.000000 146.2131       26.80841 ?        ?        52.22521 5.318394 ?              ?        
1 1 1 12  40 12 o 32.69709 8.127153 65.00813       25.89825 0.000000       0.000000 65.00813       25.89825 ?        ?        32.69709 8.127153 ?              ?        
1 1 1 12  40 13 o 21.90169 7.516516 27.40612       19.44468 7.699000       37.45758 34.67574       22.75013 20.68000 9.199971 24.08867 8.132680 -3.408674      12.27925 
1 1 1 12  40 14 o 21.55423 7.752677 26.05788       20.85601 17.93000       31.73726 32.23565       27.66917 21.17953 8.937821 23.54273 8.849324 -2.363207      12.57757 
1 1 1 12  40 15 o 21.57277 7.926163 25.82161       21.96031 4.622000       31.77029 45.21772       30.38888 19.15076 8.498892 26.60899 9.380564 -7.458231      12.65805 
1 1 1 12  40 16 o 21.23034 7.044773 25.63212       17.07982 27.64000       32.24640 24.84917       20.13640 22.94553 9.275773 21.15231 7.616531 1.793221       12.00215 
1 1 1 12  40 17 o 47.05370 4.239529 115.4354       19.31701 93.46000       33.97111 125.9364       23.48307 38.19889 9.196526 48.59001 5.009140 -10.39112      10.47223 
1 1 1 12  40 18 o 28.05785 6.171284 44.56186       16.48699 41.78000       28.56852 45.95101       20.18804 25.77650 9.094556 27.79679 7.320070 -2.020288      11.67452 
1 1 1 12  40 19 o 42.28917 4.303250 93.58116       17.56493 62.21000       31.21741 108.1140       21.24742 30.69213 9.458186 45.06810 4.895020 -14.37598      10.64981 
1 1 1 12  40 20 o 28.89566 5.444569 45.89497       14.83461 64.18000       26.35442 37.41447       17.94801 32.16915 8.310934 25.21937 7.015741 6.949776       10.87622 
1 1 1 12  40 21 o 11.87582 5.504860 -9.450756      15.23473 0.000000       0.000000 -9.450756      15.23473 ?        ?        11.87582 5.504860 ?              ?        
1 1 1 12  40 22 o 24.36864 6.920299 34.95237       17.27568 27.65000       21.78575 47.32332       28.35582 21.92706 7.918807 27.03563 9.079326 -5.108576      12.04748 
1 1 1 12  40 23 o 17.46015 7.762324 1.958568       26.62001 0.000000       0.000000 1.958568       26.62001 ?        ?        17.46015 7.762324 ?              ?        
1 1 1 12  40 24 o 24.46782 9.543074 36.43000       32.98183 0.000000       0.000000 36.43000       32.98183 ?        ?        24.46782 9.543074 ?              ?        
1 1 1 12  40 25 o 21.67586 8.678720 24.83782       27.93895 0.000000       0.000000 24.83782       27.93895 ?        ?        21.67586 8.678720 ?              ?        
1 1 1 12  40 26 o 21.90260 10.33362 -4.510000      57.76696 0.000000       0.000000 -4.510000      57.76696 ?        ?        21.90260 10.33362 ?              ?        
1 1 1 12  40 27 f 24.41120 8.838992 38.02517       27.16545 0.000000       0.000000 38.02517       27.16545 ?        ?        24.41120 8.838992 ?              ?        
1 1 1 12  40 28 o 17.27114 7.638538 4.184767       25.44869 0.000000       0.000000 4.184767       25.44869 ?        ?        17.27114 7.638538 ?              ?        
1 1 1 12  40 29 o 26.02157 8.857673 45.39657       26.99119 0.000000       0.000000 45.39657       26.99119 ?        ?        26.02157 8.857673 ?              ?        
1 1 1 12  40 30 o 19.28684 9.344144 -28.74000      54.51571 0.000000       0.000000 -28.74000      54.51571 ?        ?        19.28684 9.344144 ?              ?        
1 1 1 12  41 0  o 38.92673 9.423189 97.47475       35.51573 0.000000       0.000000 97.47475       35.51573 ?        ?        38.92673 9.423189 ?              ?        
1 1 1 12  41 1  o 26.77906 7.657701 43.06323       21.08121 44.34000       45.60480 42.71627       23.77369 26.65187 10.93413 26.37643 8.274142 0.2754383      13.71192 
1 1 1 12  41 2  f 20.60956 7.802867 22.17275       21.60003 4.152000       44.80290 27.62973       24.65448 21.47260 9.760859 22.28745 8.358421 -0.8148460     12.85059 
1 1 1 12  41 3  o 11.19308 5.405648 -23.62741      17.88458 -8.771000      43.62205 -26.62922      19.60835 19.98533 9.281468 11.58935 5.612260 8.395985       10.84634 
1 1 1 12  41 4  o 50.94062 4.619374 136.4221       22.78301 108.6000       49.60505 143.8600       25.64824 37.84760 11.96269 51.92652 5.112403 -14.07892      13.00933 
1 1 1 12  41 5  o 21.90718 7.504757 27.45244       19.38159 -9.481000      44.85014 35.93339       21.49197 20.13108 9.370186 24.48931 7.888911 -4.358229      12.24889 
1 1 1 12  41 6  o 18.90619 7.284687 17.20816       19.04214 17.10000       43.34975 17.23402       21.19665 22.67930 10.00258 19.28907 7.612197 3.390230       12.56970 
1 1 1 12  41 7  o 42.42897 5.224927 96.90278       21.24167 88.86000       45.36339 99.16152       24.04012 34.48624 11.48207 42.37310 5.960700 -7.886860      12.93707 
1 1 1 12  41 8  o 15.48006 6.674538 3.458012       18.38761 0.4146000      41.16376 4.216657       20.55200 20.37387 9.297940 16.29072 7.040394 4.083149       11.66271 
1 1 1 12  41 9  o 25.57003 7.385467 39.01971       19.51593 30.52000       41.20027 41.47857       22.15970 24.16664 10.19015 26.06108 7.957221 -1.894445      12.92890 
1 1 1 12  41 10 o 16.06532 6.954021 3.712795       20.11446 9.542000       38.16105 1.470230       23.66945 20.93325 9.300858 16.69160 7.375167 4.241650       11.87009 
1 1 1 12  41 11 f 33.82769 6.844172 66.02435       21.88293 57.75000       41.23550 69.26812       25.81840 28.73923 10.80298 33.79263 7.940854 -5.053392      13.40752 
1 1 1 12  41 12 o 15.74556 6.980646 -0.7842000E-01 21.37954 0.000000       0.000000 -0.7842000E-01 21.37954 ?        ?        15.74556 6.980646 ?              ?        
1 1 1 12  41 13 o 22.12295 9.327834 21.99500       34.51900 0.000000       0.000000 21.99500       34.51900 ?        ?        22.12295 9.327834 ?              ?        
1 1 1 12  41 14 o 48.67387 5.220183 127.4348       24.48259 109.9000       38.35925 139.4875       31.80246 40.85160 9.732316 49.54723 6.731380 -8.695625      11.83340 
1 1 1 12  41 15 o 75.41942 4.252167 295.8799       31.26346 0.000000       0.000000 295.8799       31.26346 ?        ?        75.41942 4.252167 ?              ?        
1 1 1 12  41 16 o 38.73043 5.083261 80.70936       18.80614 55.64000       32.41217 93.43226       23.09029 28.79930 9.707233 41.09175 5.910576 -12.29245      11.36509 
1 1 1 12  41 17 o 44.54091 4.453363 104.3428       19.15566 76.69000       33.67440 117.5718       23.29120 33.82972 9.679757 46.75332 5.176070 -12.92361      10.97677 
1 1 1 12  41 18 o 54.59945 3.855980 153.9334       20.47513 119.9000       36.94400 169.0216       24.59861 43.51547 8.971726 56.72855 4.465980 -13.21308      10.02182 
1 1 1 12  41 19 o 18.57032 6.557383 18.53079       14.85438 9.504000       26.03051 22.88981       18.08882 18.51987 7.962853 20.27441 7.228499 -1.754543      10.75445 
1 1 1 12  41 20 o 42.85410 4.055467 95.71631       16.80899 75.55000       29.93063 105.0068       20.31519 34.25794 8.860104 44.41689 4.746154 -10.15895      10.05124 
1 1 1 12  41 21 o 26.44709 9.142281 45.47807       28.78334 0.000000       0.000000 45.47807       28.78334 ?        ?        26.44709 9.142281 ?              ?        
1 1 1 12  41 22 o 15.82368 7.422396 -15.17000      29.04846 0.000000       0.000000 -15.17000      29.04846 ?        ?        15.82368 7.422396 ?              ?        
1 1 1 12  41 23 o 25.18607 9.035567 41.06702       28.30887 0.000000       0.000000 41.06702       28.30887 ?        ?        25.18607 9.035567 ?              ?        
1 1 1 12  41 24 o 24.43479 11.04906 29.39000       56.50066 0.000000       0.000000 29.39000       56.50066 ?        ?        24.43479 11.04906 ?              ?        
1 1 1 12  41 25 o 17.29270 7.760702 1.526352       27.28010 0.000000       0.000000 1.526352       27.28010 ?        ?        17.29270 7.760702 ?              ?        
1 1 1 12  41 26 o 33.23165 8.852320 73.65799       29.30975 0.000000       0.000000 73.65799       29.30975 ?        ?        33.23165 8.852320 ?              ?        
1 1 1 12  41 27 o 13.93640 6.650404 -20.92050      25.29439 0.000000       0.000000 -20.92050      25.29439 ?        ?        13.93640 6.650404 ?              ?        
1 1 1 12  42 0  o 20.30318 7.652895 21.84539       20.72492 0.000000       0.000000 21.84539       20.72492 ?        ?        20.30318 7.652895 ?              ?        
1 1 1 12  42 1  o 24.59642 7.902286 36.73997       21.57476 0.000000       0.000000 36.73997       21.57476 ?        ?        24.59642 7.902286 ?              ?        
1 1 1 12  42 2  o 16.85013 6.959952 9.570899       18.64325 1.833000       44.67389 11.20267       20.51504 21.00118 9.622683 17.67854 7.301447 3.322641       12.07920 
1 1 1 12  42 3  o 35.56126 6.891179 73.20218       23.12071 52.55000       46.35005 80.04333       26.67669 27.57243 11.12986 36.53651 7.702410 -8.964081      13.53517 
1 1 1 12  42 4  o 25.60378 9.684645 41.76842       33.25642 58.91000       44.79136 20.71000       49.64572 28.62273 11.13316 23.58938 10.53650 5.033344       15.32857 
1 1 1 12  42 5  o 27.87729 7.217282 46.26563       19.84657 42.51000       44.06038 47.22159       22.22942 25.96951 10.71051 27.75857 7.838857 -1.789063      13.27263 
1 1 1 12  42 6  o 23.84802 7.449866 33.97437       19.29350 15.64000       41.61564 38.99397       21.77501 22.07397 9.765096 25.24785 7.918498 -3.173883      12.57218 
1 1 1 12  42 7  o 26.12217 7.443076 41.07091       19.95118 25.18000       41.74983 45.77379       22.71237 23.32508 10.05724 27.23087 7.996871 -3.905783      12.84905 
1 1 1 12  42 8  o 20.21530 7.390720 22.25504       19.05672 38.06000       40.18494 17.66940       21.64545 25.11697 10.27953 19.36963 7.677100 5.747347       12.82991 
1 1 1 12  42 9  o 26.95903 7.575086 44.01286       20.81251 42.60000       39.52222 44.55500       24.48209 25.84661 10.33111 26.64540 8.401756 -0.7987919     13.31621 
1 1 1 12  42 10 o 14.79321 6.540725 -0.2684670     18.64631 0.6623000      37.55119 -0.5730712     21.48183 19.63395 8.929365 15.65366 6.965302 3.980286       11.32471 
1 1 1 12  42 11 o 32.23156 8.414059 65.23808       26.82566 20.68000       39.74899 102.5068       36.35255 22.47006 9.750789 39.51802 9.512972 -17.04796      13.62257 
1 1 1 12  42 12 o 31.34995 10.06173 68.09982       34.98363 0.000000       0.000000 68.09982       34.98363 ?        ?        31.34995 10.06173 ?              ?        
1 1 1 12  42 13 o 13.64590 6.343399 -11.43839      20.45113 0.000000       0.000000 -11.43839      20.45113 ?        ?        13.64590 6.343399 ?              ?        
1 1 1 12  42 14 o 11.54868 5.564034 -22.80080      18.67608 6.566000       29.38201 -42.70925      24.19201 18.72997 8.248857 11.82598 5.831625 6.903986       10.10205 
1 1 1 12  42 15 o 17.27363 7.135473 10.71957       19.59762 1.511000       30.44030 17.23829       25.61146 18.21459 8.184260 19.83577 8.171829 -1.621181      11.56551 
1 1 1 12  42 16 o 44.16364 4.529319 103.2170       19.30248 57.05000       33.16985 126.8563       23.73529 28.77856 9.818843 48.55487 5.068641 -19.77631      11.04992 
1 1 1 12  42 17 o 26.45206 6.601924 40.85469       17.03854 30.74000       28.18603 46.67928       21.38900 22.92865 8.855301 27.60579 7.650961 -4.677134      11.70272 
1 1 1 12  42 18 o 39.30062 4.656112 82.27825       17.56383 86.28000       29.27540 80.02784       21.95378 37.26484 8.244591 37.66241 6.168536 -0.3975677     10.29680 
1 1 1 12  42 19 o 18.63612 6.570880 18.96068       14.91134 31.51000       25.77595 12.64848       18.28078 22.86949 8.552634 17.36172 6.996289 5.507778       11.04969 
1 1 1 12  42 20 o 19.83552 8.252657 17.31527       26.47779 0.000000       0.000000 17.31527       26.47779 ?        ?        19.83552 8.252657 ?              ?        
1 1 1 12  42 21 o 30.60185 9.751568 66.11000       32.90479 0.000000       0.000000 66.11000       32.90479 ?        ?        30.60185 9.751568 ?              ?        
1 1 1 12  42 22 o 21.71244 8.531477 27.23784       26.52371 0.000000       0.000000 27.23784       26.52371 ?        ?        21.71244 8.531477 ?              ?        
1 1 1 12  42 23 o 18.53219 9.066258 -43.86000      54.88673 0.000000       0.000000 -43.86000      54.88673 ?        ?        18.53219 9.066258 ?              ?        
1 1 1 12  42 24 o 15.87817 7.316455 -6.211359      26.33321 0.000000       0.000000 -6.211359      26.33321 ?        ?        15.87817 7.316455 ?              ?        
1 1 1 12  42 25 o 30.77854 8.817850 64.57380       27.92743 0.000000       0.000000 64.57380       27.92743 ?        ?        30.77854 8.817850 ?              ?        
1 1 1 12  43 0  o 38.54897 5.821844 82.42149       21.28347 -9.542000      43.17654 111.9406       24.46199 19.54346 9.128846 45.14269 5.660113 -25.59923      10.74117 
1 1 1 12  43 1  o 15.63679 6.912155 0.7033663      20.81292 0.000000       0.000000 0.7033663      20.81292 ?        ?        15.63679 6.912155 ?              ?        
1 1 1 12  43 2  o 15.09391 6.756522 -1.956192      20.53274 0.000000       0.000000 -1.956192      20.53274 ?        ?        15.09391 6.756522 ?              ?        
1 1 1 12  43 3  o 16.58291 6.921535 8.543529       18.71222 -4.661000      39.89711 12.26728       21.18703 19.42351 8.969982 18.00144 7.425987 1.422062       11.64499 
1 1 1 12  43 4  o 12.24457 5.851503 -20.35046      19.73208 -23.87000      38.33871 -19.08221      23.01429 17.31480 8.241523 13.58459 6.442752 3.730203       10.46096 
1 1 1 12  43 5  o 16.32764 6.908099 6.993260       19.03955 38.13000       40.08091 -2.080235      21.63657 24.97547 10.24893 15.41731 6.915874 9.558160       12.36406 
1 1 1 12  43 6  o 11.96800 5.694783 -17.77066      18.27663 -7.482000      37.95734 -20.87601      20.85317 18.74801 8.689939 12.60676 6.022086 6.141253       10.57263 
1 1 1 12  43 7  o 20.01204 8.600564 13.86158       30.34097 -4.769000      38.56907 44.11000       49.14478 19.11763 8.825414 26.10734 11.07453 -6.989716      14.16097 
1 1 1 12  43 8  f 19.38788 7.525327 18.96171       20.43154 7.889000       38.94490 23.16662       23.99949 20.55792 9.245522 20.85627 8.138780 -0.2983532     12.31744 
1 1 1 12  43 9  o 29.87560 6.995052 52.87851       20.09308 45.29000       41.74582 55.16660       22.92303 26.02768 10.54232 29.93506 7.759808 -3.907377      13.09027 
1 1 1 12  43 10 o 21.39735 8.517490 24.39891       26.75405 -21.68000      39.67656 62.81969       36.22980 17.70277 8.414187 29.64483 10.25647 -11.94206      13.26626 
1 1 1 12  43 11 o 17.94974 7.208484 14.02596       19.33521 -4.197000      36.67559 21.04029       22.75416 18.75307 8.638766 20.18373 7.910610 -1.430656      11.71350 
1 1 1 12  43 12 o 15.62518 6.735487 4.301879       18.71622 -7.901000      34.27253 9.487591       22.34186 17.86054 8.271198 17.61642 7.469631 0.2441196      11.14487 
1 1 1 12  43 13 o 19.81099 7.867517 19.41682       22.77494 0.000000       0.000000 19.41682       22.77494 ?        ?        19.81099 7.867517 ?              ?        
1 1 1 12  43 14 f 24.22792 7.158199 35.31057       18.15221 13.33000       29.89851 48.14264       22.84433 19.75164 8.513644 27.70125 7.987267 -7.949615      11.67384 
1 1 1 12  43 15 o 19.58348 7.410988 20.57604       19.47965 4.843000       28.92414 33.63524       26.35193 18.20455 8.092394 23.32333 8.662265 -5.118778      11.85418 
1 1 1 12  43 16 o 18.02921 6.836355 16.52325       16.59543 42.30000       26.64393 0.1842602      21.21274 25.43294 8.795753 15.53331 6.916045 9.899626       11.18914 
1 1 1 12  43 17 o 71.12140 4.378628 266.8051       30.33430 0.000000       0.000000 266.8051       30.33430 ?        ?        71.12140 4.378628 ?              ?        
1 1 1 12  43 18 o 15.13213 6.316016 6.864647       15.58151 -44.71000      25.85584 36.27562       19.52519 12.12022 5.986465 24.20303 7.483861 -12.08281      9.583629 
1 1 1 12  43 19 o 23.49147 7.444799 34.18668       19.20070 16.12000       24.72770 61.62000       30.47079 19.12203 7.967093 29.64536 9.376505 -10.52332      12.30420 
1 1 1 12  43 20 o 17.79630 7.761240 8.465630       25.44769 0.000000       0.000000 8.465630       25.44769 ?        ?        17.79630 7.761240 ?              ?        
1 1 1 12  43 21 o 29.00416 12.20198 79.25000       58.85939 0.000000       0.000000 79.25000       58.85939 ?        ?        29.00416 12.20198 ?              ?        
1 1 1 12  43 22 o 20.85270 9.929163 -3.417000      55.75227 0.000000       0.000000 -3.417000      55.75227 ?        ?        20.85270 9.929163 ?              ?        
1 1 1 12  44 0  o 29.69245 7.074243 52.67898       20.26639 -1.965000      41.82517 69.44533       23.16785 19.83222 9.167734 34.16164 7.158005 -14.32941      11.63118 
1 1 1 12  44 1  o 15.87652 6.798302 5.524518       18.82857 72.51000       41.00993 -12.36696      21.19444 30.91226 10.89726 13.70274 6.399071 17.20952       12.63719 
1 1 1 12  44 2  o 24.18670 8.094557 36.43325       22.54026 0.000000       0.000000 36.43325       22.54026 ?        ?        24.18670 8.094557 ?              ?        
1 1 1 12  44 3  o 16.46597 7.176025 4.400205       21.72219 0.000000       0.000000 4.400205       21.72219 ?        ?        16.46597 7.176025 ?              ?        
1 1 1 12  44 4  o 33.09227 6.636320 63.64694       20.74735 42.80000       41.80452 70.45976       23.89823 25.49750 10.46549 34.26445 7.346113 -8.766953      12.78639 
1 1 1 12  44 5  o 19.48886 7.681355 18.97604       21.55922 -15.15000      40.53720 32.43573       25.45824 18.37921 8.666756 23.08006 8.524709 -4.700859      12.15662 
1 1 1 12  44 6  o 35.37472 6.877834 73.33433       22.95713 59.22000       42.91230 78.99355       27.17251 28.19554 10.91642 35.74401 7.969712 -7.548471      13.51609 
1 1 1 12  44 7  o 12.31991 5.828922 -15.68056      18.62232 25.20000       39.12735 -27.65278      21.17431 22.67906 9.757042 11.97161 5.805577 10.70744       11.35362 
1 1 1 12  44 8  o 24.88203 8.763682 39.98441       26.51889 22.84000       37.63215 56.89616       37.37592 22.13116 9.545473 28.01062 10.33204 -5.879459      14.06652 
1 1 1 12  44 9  o 22.60753 8.503835 30.96124       25.56074 13.11000       35.63373 49.88224       36.68591 20.48203 9.049600 26.57816 10.14382 -6.096128      13.59383 
1 1 1 12  44 10 o 25.87356 9.300467 45.19905       30.00958 40.90000       36.99558 53.47000       51.31463 24.85887 9.975271 26.78597 11.33734 -1.927103      15.10103 
1 1 1 12  44 11 o 25.25678 7.611959 39.72469       20.36941 40.99000       36.26956 39.14174       24.61855 24.82293 9.905241 24.65071 8.457685 0.1722183      13.02483 
1 1 1 12  44 12 f 14.47542 6.480290 -1.483324      18.89306 17.64000       34.26871 -9.834264      22.64560 20.82197 9.044508 14.43230 6.697345 6.389668       11.25422 
1 1 1 12  44 13 o 17.93057 7.571682 11.66094       22.80081 0.000000       0.000000 11.66094       22.80081 ?        ?        17.93057 7.571682 ?              ?        
1 1 1 12  44 14 o 19.09093 7.669629 18.07065       21.89679 0.000000       0.000000 18.07065       21.89679 ?        ?        19.09093 7.669629 ?              ?        
1 1 1 12  44 15 o 17.28567 7.039602 12.82374       18.73242 29.16000       28.00883 -0.3971460     25.19700 22.02878 8.732347 16.36792 7.392117 5.660854       11.44104 
1 1 1 12  44 16 o 25.61523 6.858816 39.95264       17.53891 18.53000       28.65456 52.78665       22.17882 19.98876 8.466727 28.80829 7.712485 -8.819534      11.45286 
1 1 1 12  44 17 o 16.24491 6.921141 7.830433       19.33986 3.160000       25.96545 13.65000       28.98428 16.99502 7.603442 19.18175 8.325110 -2.186735      11.27474 
1 1 1 12  44 18 o 14.21576 6.384551 -1.486631      18.50101 29.27000       24.59000 -41.61000      28.08586 21.75808 8.304677 12.91356 6.351491 8.844512       10.45510 
1 1 1 12  45 0  o 32.58177 6.683352 62.62549       20.59889 19.47000       42.26724 76.06802       23.58991 21.89919 9.755685 35.71027 6.999160 -13.81107      12.00673 
1 1 1 12  45 1  f 18.95551 7.334561 18.79142       19.36309 9.299000       41.09483 21.50023       21.95271 20.59486 9.356503 19.94459 7.783710 0.6502724      12.17088 
1 1 1 12  45 2  o 25.03809 7.579437 39.24134       20.16405 -24.97000      41.61518 58.94173       23.05066 17.52831 8.408847 30.69990 7.688396 -13.17159      11.39386 
1 1 1 12  45 3  o 20.62093 7.905825 24.17904       22.35039 0.000000       0.000000 24.17904       22.35039 ?        ?        20.62093 7.905825 ?              ?        
1 1 1 12  45 4  o 21.98245 8.444455 29.13925       25.53399 0.000000       0.000000 29.13925       25.53399 ?        ?        21.98245 8.444455 ?              ?        
1 1 1 12  45 5  o 12.92138 6.097574 -14.65942      20.13291 -48.14000      36.95966 -0.5332044     24.00737 14.88591 7.314530 16.07709 7.242210 -1.191174      10.29330 
1 1 1 12  45 6  o 15.14165 6.778301 -0.4883474     20.66871 -41.35000      35.56520 20.34985       25.39788 14.99123 7.326293 20.02490 8.181123 -5.033670      10.98205 
1 1 1 12  45 7  o 21.53682 8.489363 27.27657       26.33571 43.70000       37.10805 10.60965       37.38210 24.97528 10.00121 20.11366 9.050866 4.861626       13.48860 
1 1 1 12  45 8  o 33.94564 6.546282 67.81788       20.96296 36.60000       38.23967 81.23028       25.06488 23.74638 9.901732 36.53537 7.264688 -12.78899      12.28088 
1 1 1 12  45 9  o 15.24341 6.654345 3.514723       18.74580 -8.225000      35.58030 8.025556       22.05511 17.66804 8.263985 16.95346 7.309877 0.7145805      11.03303 
1 1 1 12  45 10 o 19.31335 7.359364 20.74077       19.29009 -2.688000      35.88520 30.26201       22.87638 18.25162 8.456224 22.01004 8.089293 -3.758419      11.70232 
1 1 1 12  45 11 o 20.32885 7.496411 24.47756       19.67319 56.26000       39.06060 13.67496       22.77244 26.84283 10.40889 18.12485 7.605217 8.717979       12.89124 
1 1 1 12  45 12 o 11.33133 5.420596 -17.31698      17.02572 -27.29000      27.58512 -11.17996      21.63916 13.88778 6.708612 13.78350 6.446290 0.1042767      9.303770 
1 1 1 12  45 13 o 10.79500 5.243446 -23.67121      17.45695 -30.11000      26.44803 -18.70053      23.23802 13.32040 6.466370 13.42126 6.396158 -0.1008615     9.095316 
1 1 1 12  45 14 f 18.49712 9.048191 -36.27000      54.62719 0.000000       0.000000 -36.27000      54.62719 ?        ?        18.49712 9.048191 ?              ?        
1 1 1 12  46 0  o 27.34207 7.472633 47.57026       20.56547 119.0000       42.13262 25.22893       23.56315 39.23566 10.68460 20.64868 8.062527 18.58698       13.38525 
1 1 1 12  46 1  o 21.14345 7.581025 27.58137       19.92513 10.38000       39.06098 33.63154       23.16570 19.99754 9.099551 22.75043 8.172215 -2.752892      12.23057 
1 1 1 12  46 2  o 14.38524 6.453957 -0.8855631     18.85123 18.77000       36.95470 -7.799452      21.91736 20.77479 9.195622 14.28425 6.614799 6.490534       11.32762 
1 1 1 12  46 3  o 12.87541 6.076500 -13.80780      20.00331 8.118000       36.69616 -23.07716      23.85985 19.43681 8.834782 13.13500 6.318291 6.301807       10.86159 
1 1 1 12  46 4  o 16.46902 7.255909 5.022683       22.75456 0.000000       0.000000 5.022683       22.75456 ?        ?        16.46902 7.255909 ?              ?        
1 1 1 12  46 5  o 27.31490 8.496569 50.78372       25.12455 0.000000       0.000000 50.78372       25.12455 ?        ?        27.31490 8.496569 ?              ?        
1 1 1 12  46 6  o 22.24818 9.075352 31.40150       31.19436 60.80000       38.38803 -25.75000      53.52382 27.49778 10.40414 18.93636 9.194092 8.561419       13.88443 
1 1 1 12  46 7  o 17.49792 7.970343 1.971616       30.06539 -13.53000      36.41612 35.16000       53.28417 17.07837 8.101090 23.49533 10.66632 -6.416969      13.39395 
1 1 1 13  0  0  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  2  o 110.1445 4.237342 596.5899       45.53005 596.5899       45.53005 596.5899       45.53005 110.1445 4.237342 110.1445 4.237342 0.000000       0.000000 
1 1 1 13  0  3  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  4  o 339.1599 9.205782 5652.140       305.1037 5652.140       305.1037 5652.140       305.1037 339.1599 9.205782 339.1599 9.205782 0.000000       0.000000 
1 1 1 13  0  5  o 261.6185 7.302809 3361.487       186.6804 3361.487       186.6804 3361.487       186.6804 261.6185 7.302809 261.6185 7.302809 0.000000       0.000000 
1 1 1 13  0  6  o 268.2800 7.466612 3535.211       195.7297 3535.211       195.7297 3535.211       195.7297 268.2800 7.466612 268.2800 7.466612 0.000000       0.000000 
1 1 1 13  0  7  o 148.6202 4.805918 1085.006       69.74766 1085.006       69.74766 1085.006       69.74766 148.6202 4.805918 148.6202 4.805918 0.000000       0.000000 
1 1 1 13  0  8  o 35.93284 6.001591 68.29062       19.34048 68.29062       19.34048 68.29062       19.34048 35.93284 6.001591 35.93284 6.001591 0.000000       0.000000 
1 1 1 13  0  9  o 422.1498 11.31245 8770.942       466.6851 8770.942       466.6851 8770.942       466.6851 422.1498 11.31245 422.1498 11.31245 0.000000       0.000000 
1 1 1 13  0  10 o 277.4020 7.698744 3781.292       208.6790 3781.292       208.6790 3781.292       208.6790 277.4020 7.698744 277.4020 7.698744 0.000000       0.000000 
1 1 1 13  0  11 o 192.8510 5.735230 1826.898       108.0459 1826.898       108.0459 1826.898       108.0459 192.8510 5.735230 192.8510 5.735230 0.000000       0.000000 
1 1 1 13  0  12 o 234.4842 6.686129 2701.557       153.1776 2701.557       153.1776 2701.557       153.1776 234.4842 6.686129 234.4842 6.686129 0.000000       0.000000 
1 1 1 13  0  13 o 138.4390 4.658350 941.9044       62.96218 941.9044       62.96218 941.9044       62.96218 138.4390 4.658350 138.4390 4.658350 0.000000       0.000000 
1 1 1 13  0  14 o 70.96831 4.128214 249.1494       28.45295 249.1494       28.45295 249.1494       28.45295 70.96831 4.128214 70.96831 4.128214 0.000000       0.000000 
1 1 1 13  0  15 o 106.9537 4.225826 562.8760       44.08268 562.8760       44.08268 562.8760       44.08268 106.9537 4.225826 106.9537 4.225826 0.000000       0.000000 
1 1 1 13  0  16 o 327.5614 8.967576 5281.555       287.0367 5281.555       287.0367 5281.555       287.0367 327.5614 8.967576 327.5614 8.967576 0.000000       0.000000 
1 1 1 13  0  17 o 83.09769 4.141543 340.7345       33.49482 340.7345       33.49482 340.7345       33.49482 83.09769 4.141543 83.09769 4.141543 0.000000       0.000000 
1 1 1 13  0  18 o 188.6739 5.711403 1749.858       105.2588 1749.858       105.2588 1749.858       105.2588 188.6739 5.711403 188.6739 5.711403 0.000000       0.000000 
1 1 1 13  0  19 o 12.35690 7.630310 5.474929       18.13945 5.474929       18.13945 5.474929       18.13945 12.35690 7.630310 12.35690 7.630310 0.000000       0.000000 
1 1 1 13  0  20 o 70.02631 4.366830 243.0359       29.66200 243.0359       29.66200 243.0359       29.66200 70.02631 4.366830 70.02631 4.366830 0.000000       0.000000 
1 1 1 13  0  21 o 103.4564 4.455265 527.3524       44.92582 527.3524       44.92582 527.3524       44.92582 103.4564 4.455265 103.4564 4.455265 0.000000       0.000000 
1 1 1 13  0  22 o 202.9651 6.093821 2026.225       120.8175 2026.225       120.8175 2026.225       120.8175 202.9651 6.093821 202.9651 6.093821 0.000000       0.000000 
1 1 1 13  0  23 o 22.83279 9.895617 36.64231       22.83035 36.64231       22.83035 36.64231       22.83035 22.83279 9.895617 22.83279 9.895617 0.000000       0.000000 
1 1 1 13  0  24 o 20.91692 10.55380 31.70000       26.73629 31.70000       26.73629 31.70000       26.73629 20.91692 10.55380 20.91692 10.55380 0.000000       0.000000 
1 1 1 13  0  25 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  0  26 o 108.0791 6.248413 579.3000       65.59261 579.3000       65.59261 579.3000       65.59261 108.0791 6.248413 108.0791 6.248413 0.000000       0.000000 
1 1 1 13  0  27 o 56.34967 5.129777 159.6084       27.72726 159.6084       27.72726 159.6084       27.72726 56.34967 5.129777 56.34967 5.129777 0.000000       0.000000 
1 1 1 13  0  28 o 55.08645 4.776631 152.1914       25.29150 152.1914       25.29150 152.1914       25.29150 55.08645 4.776631 55.08645 4.776631 0.000000       0.000000 
1 1 1 13  0  29 o 80.59769 6.573255 325.9000       51.03762 325.9000       51.03762 325.9000       51.03762 80.59769 6.573255 80.59769 6.573255 0.000000       0.000000 
1 1 1 13  0  30 o 95.99100 6.486696 459.8000       60.29921 459.8000       60.29921 459.8000       60.29921 95.99100 6.486696 95.99100 6.486696 0.000000       0.000000 
1 1 1 13  0  31 o 12.56355 7.802975 5.316703       19.23983 5.316703       19.23983 5.316703       19.23983 12.56355 7.802975 12.56355 7.802975 0.000000       0.000000 
1 1 1 13  0  32 o 14.77829 8.480463 13.83632       19.51082 13.83632       19.51082 13.83632       19.51082 14.77829 8.480463 14.77829 8.480463 0.000000       0.000000 
1 1 1 13  0  33 o 36.79269 6.803739 73.22421       22.03730 73.22421       22.03730 73.22421       22.03730 36.79269 6.803739 36.79269 6.803739 0.000000       0.000000 
1 1 1 13  0  34 f 29.12203 8.631782 51.67675       21.40029 51.67675       21.40029 51.67675       21.40029 29.12203 8.631782 29.12203 8.631782 0.000000       0.000000 
1 1 1 13  0  35 o 35.78349 7.306335 70.73309       22.63278 70.73309       22.63278 70.73309       22.63278 35.78349 7.306335 35.78349 7.306335 0.000000       0.000000 
1 1 1 13  0  36 o 74.37309 4.517568 275.4830       32.60639 275.4830       32.60639 275.4830       32.60639 74.37309 4.517568 74.37309 4.517568 0.000000       0.000000 
1 1 1 13  0  37 o 114.5684 4.574932 650.3023       51.11830 650.3023       51.11830 650.3023       51.11830 114.5684 4.574932 114.5684 4.574932 0.000000       0.000000 
1 1 1 13  0  38 o 12.50984 7.818252 5.054566       19.62459 5.054566       19.62459 5.054566       19.62459 12.50984 7.818252 12.50984 7.818252 0.000000       0.000000 
1 1 1 13  0  39 o 36.27294 7.407574 73.04281       23.25961 73.04281       23.25961 73.04281       23.25961 36.27294 7.407574 36.27294 7.407574 0.000000       0.000000 
1 1 1 13  0  40 o 36.96874 7.410979 75.73661       23.78691 75.73661       23.78691 75.73661       23.78691 36.96874 7.410979 36.96874 7.410979 0.000000       0.000000 
1 1 1 13  0  41 o 122.0133 4.813964 740.4464       57.28947 740.4464       57.28947 740.4464       57.28947 122.0133 4.813964 122.0133 4.813964 0.000000       0.000000 
1 1 1 13  0  42 o 100.1021 4.643033 499.5880       45.26999 499.5880       45.26999 499.5880       45.26999 100.1021 4.643033 100.1021 4.643033 0.000000       0.000000 
1 1 1 13  0  43 o 76.29538 4.842213 292.5774       35.82356 292.5774       35.82356 292.5774       35.82356 76.29538 4.842213 76.29538 4.842213 0.000000       0.000000 
1 1 1 13  0  44 o 17.33829 9.580440 22.28539       23.71635 22.28539       23.71635 22.28539       23.71635 17.33829 9.580440 17.33829 9.580440 0.000000       0.000000 
1 1 1 13  0  45 o 15.27482 9.424885 11.35000       27.62468 11.35000       27.62468 11.35000       27.62468 15.27482 9.424885 15.27482 9.424885 0.000000       0.000000 
1 1 1 13  0  46 f 13.13369 8.311348 5.185090       22.94528 5.185090       22.94528 5.185090       22.94528 13.13369 8.311348 13.13369 8.311348 0.000000       0.000000 
1 1 1 13  0  47 o 13.81161 9.511943 -24.06000      42.48363 -24.06000      42.48363 -24.06000      42.48363 13.81161 9.511943 13.81161 9.511943 0.000000       0.000000 
1 1 1 13  0  48 o 14.19743 9.774644 -24.11000      44.78092 -24.11000      44.78092 -24.11000      44.78092 14.19743 9.774644 14.19743 9.774644 0.000000       0.000000 
1 1 1 13  0  49 o 43.63330 6.571876 102.6585       26.18885 102.6585       26.18885 102.6585       26.18885 43.63330 6.571876 43.63330 6.571876 0.000000       0.000000 
1 1 1 13  0  50 o 16.16922 9.097828 19.48416       21.85802 19.48416       21.85802 19.48416       21.85802 16.16922 9.097828 16.16922 9.097828 0.000000       0.000000 
1 1 1 13  0  51 o 9.139455 6.412621 -21.05681      21.85114 -21.05681      21.85114 -21.05681      21.85114 9.139455 6.412621 9.139455 6.412621 0.000000       0.000000 
1 1 1 13  0  52 o 34.48306 9.015647 72.76942       26.29195 72.76942       26.29195 72.76942       26.29195 34.48306 9.015647 34.48306 9.015647 0.000000       0.000000 
1 1 1 13  0  53 o 35.53814 8.991452 76.76783       27.04455 76.76783       27.04455 76.76783       27.04455 35.53814 8.991452 35.53814 8.991452 0.000000       0.000000 
1 1 1 13  0  54 o 38.50240 8.452065 86.81263       27.88114 86.81263       27.88114 86.81263       27.88114 38.50240 8.452065 38.50240 8.452065 0.000000       0.000000 
1 1 1 13  0  55 o 35.87764 14.98477 105.4000       52.65331 105.4000       52.65331 105.4000       52.65331 35.87764 14.98477 35.87764 14.98477 0.000000       0.000000 
1 1 1 13  0  56 o 11.76740 7.888913 -5.957978      25.42441 -5.957978      25.42441 -5.957978      25.42441 11.76740 7.888913 11.76740 7.888913 0.000000       0.000000 
1 1 1 13  0  57 o 21.35932 10.60026 37.51441       26.75430 37.51441       26.75430 37.51441       26.75430 21.35932 10.60026 21.35932 10.60026 0.000000       0.000000 
1 1 1 13  0  58 o 26.42398 11.89602 57.05000       32.95116 57.05000       32.95116 57.05000       32.95116 26.42398 11.89602 26.42398 11.89602 0.000000       0.000000 
1 1 1 13  0  59 o 20.95770 12.90683 35.67000       51.57461 35.67000       51.57461 35.67000       51.57461 20.95770 12.90683 20.95770 12.90683 0.000000       0.000000 
1 1 1 13  1  0  o 249.1433 5.707973 3041.757       139.1994 2778.000       227.1108 3200.460       176.1684 237.6061 9.785983 255.3782 7.054307 -17.77208      12.06353 
1 1 1 13  1  1  o 331.9612 7.363051 5404.724       239.2496 4848.000       383.8893 5758.290       305.9294 313.5231 12.53449 342.3304 9.138144 -28.80737      15.51190 
1 1 1 13  1  2  o 358.4957 7.900306 6305.571       277.2261 5783.000       451.5548 6621.688       351.2057 342.2427 13.50590 366.9998 9.785369 -24.75708      16.67821 
1 1 1 13  1  3  o 414.5453 7.821033 8431.531       317.3528 8477.985       450.6067 8385.813       447.0240 415.0138 11.10246 412.7559 11.07449 2.257843       15.68149 
1 1 1 13  1  4  o 231.5051 4.651965 2625.400       105.4152 2677.177       151.3971 2576.677       146.8652 233.5729 6.628701 229.1502 6.554492 4.422745       9.322073 
1 1 1 13  1  5  o 207.2784 4.251265 2104.414       86.25385 2183.063       124.7955 2032.480       119.3494 210.9436 6.050279 203.5367 5.997154 7.406906       8.518905 
1 1 1 13  1  6  o 176.5381 3.771794 1526.302       65.17677 1562.670       93.48880 1491.911       90.91290 178.4890 5.357151 174.3992 5.331938 4.089706       7.558348 
1 1 1 13  1  7  o 80.20303 2.777477 315.3123       21.77166 301.7489       30.84674 328.7760       30.73312 78.38623 4.033912 81.84217 3.847162 -3.455940      5.574326 
1 1 1 13  1  8  o 36.53437 3.996640 66.15875       14.05941 64.04223       20.58110 68.01064       19.25146 35.63932 6.120142 36.84602 5.506526 -1.206692      8.232738 
1 1 1 13  1  9  o 226.9827 4.576684 2524.408       101.6834 2485.054       142.6082 2565.109       145.0263 224.9841 6.482456 228.5815 6.488420 -3.597443      9.171795 
1 1 1 13  1  10 o 180.0585 3.840750 1588.100       67.69176 1552.029       94.79890 1625.624       96.69032 177.8410 5.452284 182.0141 5.433230 -4.173141      7.697233 
1 1 1 13  1  11 o 172.6403 3.726755 1459.960       62.97661 1429.984       88.26212 1491.048       89.88480 170.7017 5.288770 174.3129 5.274122 -3.611267      7.469100 
1 1 1 13  1  12 o 94.97153 2.856665 442.0756       26.52559 447.4897       38.00920 436.9354       37.03545 95.48029 4.076329 94.34943 4.019466 1.130859       5.724733 
1 1 1 13  1  13 o 180.4361 3.857540 1595.141       68.13028 1595.081       96.49832 1595.200       96.20389 180.2501 5.475730 180.2585 5.458726 -0.8453369E-02 7.731837 
1 1 1 13  1  14 o 223.3331 4.535342 2445.047       99.14465 2441.123       140.1439 2448.978       140.2796 222.8795 6.430610 223.2387 6.426449 -0.3591919     9.091314 
1 1 1 13  1  15 o 189.9207 4.011684 1767.681       74.57708 1817.595       107.3774 1721.165       103.6568 192.3674 5.708948 187.1958 5.663636 5.171631       8.041695 
1 1 1 13  1  16 o 58.56860 3.076072 168.4851       17.57286 150.6481       24.95967 186.0169       24.74526 55.23292 4.660169 61.46586 4.137030 -6.232941      6.231548 
1 1 1 13  1  17 o 116.0004 3.083282 659.6189       34.97790 680.7158       50.22478 639.7502       48.74103 117.7485 4.365246 114.1451 4.370533 3.603470       6.177130 
1 1 1 13  1  18 o 109.8950 3.051795 592.0740       32.79584 582.4764       46.28782 601.7486       46.47338 108.9030 4.351066 110.6975 4.297204 -1.794456      6.115369 
1 1 1 13  1  19 o 136.7684 3.322292 916.5690       44.47643 905.7349       62.62955 927.5917       63.17229 135.7941 4.719028 137.4264 4.703169 -1.632278      6.662509 
1 1 1 13  1  20 o 136.7585 3.358264 916.5163       44.95474 931.0442       63.99892 902.3665       63.16058 137.6683 4.756477 135.5276 4.768581 2.140640       6.735239 
1 1 1 13  1  21 o 81.41904 3.093449 325.2721       24.60846 310.3884       34.39909 340.8734       35.21861 79.42038 4.442662 83.25085 4.336879 -3.830475      6.208524 
1 1 1 13  1  22 o 119.6928 3.250744 702.5924       38.05001 679.1539       53.28056 726.9877       54.35728 117.5516 4.639677 121.6341 4.573730 -4.082458      6.515029 
1 1 1 13  1  23 o 88.56710 3.643659 385.2296       31.52013 358.4421       39.06548 435.2000       53.35601 85.32645 4.695488 93.90736 5.833474 -8.580902      7.488459 
1 1 1 13  1  24 o 107.0806 4.497890 563.8052       47.03897 0.000000       0.000000 563.8052       47.03897 ?        ?        107.0806 4.497890 ?              ?        
1 1 1 13  1  25 o 144.5073 4.024902 1025.374       56.87586 1015.000       95.25999 1031.121       70.90011 143.3368 6.809108 144.7818 5.010507 -1.445068      8.453942 
1 1 1 13  1  26 o 158.3932 5.231854 1235.016       81.00319 1235.016       81.00319 0.000000       0.000000 158.3932 5.231854 ?        ?        ?              ?        
1 1 1 13  1  27 o 129.5667 4.541574 825.8715       57.50877 788.5000       79.04461 867.9000       83.82513 126.2705 6.416381 132.4766 6.484107 -6.206108      9.122149 
1 1 1 13  1  28 o 80.36271 3.629259 317.6207       28.47453 264.0000       41.97589 363.3279       38.75484 72.93054 5.931254 85.83743 4.629703 -12.90688      7.524222 
1 1 1 13  1  29 o 154.2752 4.167109 1170.814       62.86937 1183.087       76.85982 1146.000       109.2897 154.8918 5.076354 151.8067 7.377076 3.085083       8.954921 
1 1 1 13  1  30 o 70.22617 3.674878 242.9677       25.17296 247.0000       45.78241 241.2204       30.13750 70.26941 6.738684 69.86814 4.429589 0.4012680      8.064187 
1 1 1 13  1  31 o 55.73848 3.983705 153.6431       21.59115 186.6000       41.42752 141.3527       25.29874 60.83641 7.089664 53.30343 4.903754 7.532974       8.620333 
1 1 1 13  1  32 o 73.99651 3.110246 269.4803       22.47722 264.4391       31.40565 274.7744       32.18382 73.09362 4.410086 74.50901 4.432923 -1.415390      6.252972 
1 1 1 13  1  33 o 67.82038 3.156314 226.6207       20.89556 197.8562       28.82682 258.4679       30.33217 63.09410 4.701483 72.23983 4.309221 -9.145733      6.377565 
1 1 1 13  1  34 o 146.3821 3.518061 1055.414       50.40778 1023.305       70.04756 1089.901       72.59541 143.5933 4.991297 148.1889 5.012018 -4.595581      7.073427 
1 1 1 13  1  35 o 203.7664 4.341708 2055.037       86.59632 2102.021       123.8971 2010.162       121.0828 204.8205 6.186991 200.2940 6.183422 4.526550       8.747203 
1 1 1 13  1  36 o 51.19304 3.690632 130.0654       18.36932 123.5124       25.80179 136.8007       26.15816 49.48263 5.415435 52.16454 5.191871 -2.681908      7.502164 
1 1 1 13  1  37 o 104.4432 3.173449 538.2615       32.40514 552.2605       46.20855 524.7145       45.45629 105.3662 4.490676 102.6842 4.533735 2.682030       6.381295 
1 1 1 13  1  38 o 101.1862 3.156821 505.5176       31.22811 518.4464       44.26952 492.7123       44.05768 102.0384 4.443011 99.43186 4.538754 2.606499       6.351428 
1 1 1 13  1  39 o 44.24101 4.034739 97.87212       17.28009 93.07787       24.31844 102.7616       24.55882 42.59184 5.999144 44.87779 5.720607 -2.285950      8.289455 
1 1 1 13  1  40 o 55.09576 3.632349 151.0010       19.47970 139.6967       27.28311 162.7561       27.82170 52.47402 5.388290 56.79149 5.057745 -4.317474      7.390160 
1 1 1 13  1  41 o 30.18536 5.818945 47.53017       16.56953 44.84933       23.42633 50.21401       23.43938 28.87964 8.008214 30.53421 7.811620 -1.654568      11.18718 
1 1 1 13  1  42 o 76.22502 3.329799 288.5213       24.78408 271.1953       34.44606 307.1179       35.68681 73.31560 4.826804 78.10252 4.689662 -4.786926      6.729856 
1 1 1 13  1  43 o 56.36666 3.748991 159.0030       20.56684 166.6572       29.11793 151.3824       29.05399 57.11443 5.267766 54.29051 5.545122 2.823917       7.648381 
1 1 1 13  1  44 o 12.99560 5.917689 -8.715546      16.55733 -23.30801      21.79256 11.21000       25.46531 13.23812 6.275793 19.98493 8.181560 -6.746807      10.31133 
1 1 1 13  1  45 o 25.88343 6.581036 36.26516       16.70781 55.34773       23.96257 18.21112       23.30785 31.59482 7.796732 20.94359 8.062114 10.65123       11.21547 
1 1 1 13  1  46 o 12.89204 6.119637 -22.53243      20.85249 -19.85000      24.05231 -30.65000      41.84130 14.47659 6.778789 18.88256 8.873290 -4.405970      11.16634 
1 1 1 13  1  47 o 63.41487 3.610558 201.8091       22.31893 198.8148       31.36381 204.8809       31.76754 62.12446 5.205567 63.07927 5.190958 -0.9548035     7.351460 
1 1 1 13  1  48 o 16.34702 6.992248 2.591963       19.87920 35.97000       44.74187 -5.617914      22.18973 27.44466 10.98463 15.69237 7.024174 11.75230       13.03845 
1 1 1 13  1  49 o 23.82363 7.752995 30.92940       20.72621 45.34000       44.60160 26.96047       23.40701 28.84118 11.13923 22.92235 8.217006 5.918827       13.84202 
1 1 1 13  1  50 o 13.90635 6.042617 -0.3254777     15.30686 -15.95526      21.70478 15.13947       21.59002 13.92644 6.494299 19.50638 7.687277 -5.579942      10.06331 
1 1 1 13  1  51 o 30.01773 6.255037 49.26577       17.78163 66.18442       25.11238 32.25345       25.18180 34.09809 7.706024 24.28839 8.541108 9.809702       11.50362 
1 1 1 13  1  52 o 54.98421 3.993186 153.8833       21.34489 141.8842       29.67228 166.7514       30.72784 51.57757 5.988581 56.19095 5.663962 -4.613377      8.242789 
1 1 1 13  1  53 o 49.84591 4.343805 127.6798       20.98219 142.8143       29.68695 112.5732       29.65965 51.68609 5.978009 45.19218 6.925333 6.493912       9.148597 
1 1 1 13  1  54 o 56.44766 5.891336 169.8615       32.07251 0.000000       0.000000 169.8615       32.07251 ?        ?        56.44766 5.891336 ?              ?        
1 1 1 13  1  55 o 32.71485 6.754162 59.57685       20.91136 54.96170       27.34258 66.08000       32.45702 30.33275 8.735978 32.74839 9.543755 -2.415636      12.93834 
1 1 1 13  1  56 o 33.78985 6.209383 62.54309       19.78061 65.18653       27.75100 59.81294       28.20249 33.07368 8.519933 31.48836 8.807307 1.585321       12.25389 
1 1 1 13  1  57 o 11.92347 5.705370 -21.94203      18.88866 -26.35173      24.88667 -15.95000      29.01012 13.74767 6.570271 16.21500 7.543558 -2.467329      10.00369 
1 1 1 13  1  58 o 11.53943 5.679276 -41.00992      22.57405 -33.06412      25.48150 -69.99000      48.66381 13.25815 6.414963 16.97922 8.353015 -3.721067      10.53207 
1 1 1 13  1  59 o 20.87925 7.734418 22.84354       20.98393 30.12000       32.82533 17.81509       27.28765 23.80710 9.448232 20.69172 8.469885 3.115381       12.68889 
1 1 1 13  2  0  o 484.7675 9.095349 11538.98       431.5778 11548.74       612.1757 11529.33       608.5271 483.9944 12.93359 483.6054 12.86674 0.3890381      18.24365 
1 1 1 13  2  1  o 672.2023 12.52296 22253.42       823.9733 22489.94       1176.364 22025.60       1154.492 673.3658 17.86357 666.4477 17.71348 6.918152       25.15700 
1 1 1 13  2  2  o 228.0749 6.504879 2552.295       145.0705 2420.000       198.4896 2704.000       212.5529 221.8001 9.162329 234.4598 9.280069 -12.65964      13.04101 
1 1 1 13  2  3  f 308.9738 5.957200 4679.123       180.1649 4669.896       254.6107 4688.375       254.9729 308.3239 8.444470 308.9344 8.439731 -0.6105042     11.93893 
1 1 1 13  2  4  o 416.5358 7.860310 8514.170       320.4780 8662.968       458.9913 8372.622       447.6694 419.4387 11.18969 412.3648 11.10107 7.073914       15.76207 
1 1 1 13  2  5  o 294.5693 5.712599 4252.955       164.7128 4302.653       234.7289 4204.744       231.1897 295.9542 8.110461 292.5690 8.080719 3.385193       11.44891 
1 1 1 13  2  6  o 155.3368 3.477773 1181.609       52.87883 1173.640       74.85744 1189.545       74.70672 154.6879 4.950306 155.7365 4.906880 -1.048584      6.970151 
1 1 1 13  2  7  o 184.5318 3.900439 1667.812       70.45161 1707.286       101.3562 1630.912       97.99600 186.5479 5.556971 182.3287 5.497224 4.219238       7.816610 
1 1 1 13  2  8  o 330.7291 6.344849 5364.614       205.3997 5291.625       288.1244 5440.038       292.8925 328.0028 8.982668 332.5699 9.005733 -4.567017      12.71973 
1 1 1 13  2  9  o 426.9582 8.055626 8953.929       336.6595 8782.947       469.9037 9134.249       482.5656 421.9542 11.38766 430.2923 11.46764 -8.338074      16.16123 
1 1 1 13  2  10 o 300.7358 5.826101 4435.308       171.5020 4331.430       239.0414 4545.500       246.1980 296.7815 8.236642 304.0246 8.280835 -7.243073      11.67966 
1 1 1 13  2  11 o 273.7390 5.365100 3674.105       143.7542 3600.862       200.9051 3750.947       205.7809 270.6414 7.591362 276.2241 7.618198 -5.582611      10.75480 
1 1 1 13  2  12 o 71.70769 2.867071 252.2012       20.08325 239.3100       29.21656 263.7487       27.65198 69.75000 4.300266 73.27056 3.869304 -3.520561      5.784790 
1 1 1 13  2  13 o 342.9662 6.575257 5775.354       220.7345 5731.114       310.7319 5820.419       313.6196 340.9725 9.318965 343.6170 9.333074 -2.644531      13.18899 
1 1 1 13  2  14 o 118.4752 3.072643 687.9394       35.60239 700.2913       51.23373 676.4050       49.50930 119.4471 4.389482 117.3953 4.315886 2.051872       6.155845 
1 1 1 13  2  15 o 263.0056 5.199976 3393.083       133.8667 3378.219       188.9683 3408.059       189.6659 262.0256 7.375156 263.1822 7.369776 -1.156647      10.42624 
1 1 1 13  2  16 o 173.3419 3.774640 1472.428       64.04500 1487.466       91.33682 1457.882       89.82862 174.0299 5.368283 172.2929 5.332911 1.737000       7.566928 
1 1 1 13  2  17 o 278.5777 5.475129 3809.082       149.2956 3737.981       208.7782 3883.487       213.5752 275.4609 7.750879 280.7686 7.778839 -5.307678      10.98119 
1 1 1 13  2  18 o 118.7781 3.137133 691.6525       36.44141 681.4330       51.58311 701.8347       51.48888 117.7919 4.482073 119.5515 4.407540 -1.759583      6.286127 
1 1 1 13  2  19 o 102.5761 3.020445 515.9103       30.29354 495.7464       42.48200 536.7717       43.21035 100.4498 4.330832 104.5397 4.231542 -4.089951      6.054919 
1 1 1 13  2  20 o 20.56773 6.203465 20.93736       13.52495 24.58879       18.59399 16.83487       19.70900 22.69955 7.340008 20.58134 7.517461 2.118214       10.50657 
1 1 1 13  2  21 o 149.7202 4.039323 1100.015       59.14230 1149.195       74.63238 1017.000       96.96428 152.9265 4.992532 143.5777 6.919888 9.348740       8.532891 
1 1 1 13  2  22 o 64.04767 4.078647 201.9917       25.43686 271.8000       53.52074 181.6221       28.91079 73.89009 7.503930 60.62935 4.913667 13.26074       8.969564 
1 1 1 13  2  23 o 167.5500 4.346385 1378.342       71.22163 1453.000       123.8043 1341.413       87.07235 171.5189 7.391591 165.1454 5.393745 6.373474       9.150306 
1 1 1 13  2  24 o 127.5474 3.773343 798.5518       47.05723 779.5000       77.91125 809.4933       59.04328 125.6736 6.354206 128.3140 4.708986 -2.640381      7.908886 
1 1 1 13  2  25 o 121.5284 3.310786 724.5964       39.34687 701.0431       55.01774 749.2552       56.29397 119.3836 4.717453 123.4330 4.667751 -4.049339      6.636434 
1 1 1 13  2  26 o 113.1199 3.263581 627.9495       36.09818 638.9626       51.30299 617.1505       50.80178 113.9569 4.608850 111.9871 4.644600 1.969833       6.543226 
1 1 1 13  2  27 o 69.73530 5.629396 241.0000       38.09928 241.0000       38.09928 0.000000       0.000000 69.73530 5.629396 ?        ?        ?              ?        
1 1 1 13  2  28 o 104.9197 4.329148 541.8948       44.36412 528.0000       59.05120 559.9000       67.22028 103.3128 5.863473 106.2720 6.493115 -2.959213      8.748764 
1 1 1 13  2  29 o 82.06432 3.431074 331.1677       27.49992 354.9000       45.46234 317.4734       34.53438 84.65006 5.516846 80.22039 4.415080 4.429672       7.066012 
1 1 1 13  2  30 o 89.58987 3.031634 394.3309       26.54702 375.9407       36.55232 414.8596       38.61920 87.30379 4.290501 91.71797 4.313812 -4.414185      6.084190 
1 1 1 13  2  31 o 51.44613 4.307891 131.2596       21.49420 172.6000       40.75186 115.3265       25.29944 58.42596 7.283563 47.99165 5.483995 10.43431       9.117264 
1 1 1 13  2  32 o 68.75141 3.774106 233.3498       25.30072 251.0000       46.60011 225.9722       30.12793 70.64426 6.823975 67.51266 4.586314 3.131599       8.221977 
1 1 1 13  2  33 o 69.40696 3.181642 237.3631       21.55777 225.7753       30.04101 249.6659       30.95408 67.44283 4.577771 70.95685 4.479604 -3.514015      6.404907 
1 1 1 13  2  34 o 39.05137 4.232329 76.19043       15.91958 70.63727       22.02843 82.26137       23.03250 37.12882 6.285334 40.19619 6.040610 -3.067364      8.717476 
1 1 1 13  2  35 o 24.66772 6.123555 31.63308       14.71663 33.79054       20.47027 29.32507       21.17240 25.61562 7.610001 24.27378 7.830984 1.341845       10.91954 
1 1 1 13  2  36 o 24.82380 6.047381 32.08940       14.55645 52.92332       20.94422 12.62251       20.24543 31.80265 6.924862 19.30072 7.491119 12.50193       10.20150 
1 1 1 13  2  37 o 96.22117 3.116423 456.8157       29.31299 454.9730       41.15414 458.7133       41.76221 95.64170 4.407876 96.01812 4.455637 -0.3764191     6.267541 
1 1 1 13  2  38 o 46.22040 3.857551 106.4990       17.29327 99.65592       24.16356 113.6841       24.76010 44.21652 5.716691 47.35332 5.440628 -3.136803      7.891831 
1 1 1 13  2  39 o 64.95183 3.372524 208.9992       21.36793 218.7532       30.20540 199.2278       30.23226 66.08410 4.700299 62.97347 4.944257 3.110626       6.821913 
1 1 1 13  2  40 o 83.91097 3.213721 348.3963       26.34691 348.8483       36.87593 347.9249       37.65664 83.52012 4.527647 83.36750 4.632867 0.1526184      6.477890 
1 1 1 13  2  41 o 97.28682 3.252543 468.7247       30.92945 482.4782       43.62089 454.8189       43.86182 98.15677 4.552527 95.21444 4.721002 2.942329       6.558457 
1 1 1 13  2  42 o 68.12492 3.393777 230.7226       22.55932 229.6459       31.45783 231.8625       32.36907 67.44782 4.796201 67.72204 4.916564 -0.2742157     6.868489 
1 1 1 13  2  43 o 98.95145 3.678939 488.3728       35.57084 473.6092       44.11762 515.8000       60.13221 96.89140 4.665506 100.0218 6.172016 -3.130363      7.736972 
1 1 1 13  2  44 o 13.75001 5.996071 -1.515515      15.18586 -5.019912      21.04483 2.291582       21.93490 15.50863 6.897831 17.15286 7.341101 -1.644236      10.07332 
1 1 1 13  2  45 o 26.36447 7.606326 38.13381       20.71151 34.19123       23.37616 52.53000       44.66902 25.21557 8.235595 30.80179 11.30650 -5.586224      13.98792 
1 1 1 13  2  46 o 15.25151 6.385388 3.789317       15.99885 0.4575792      22.31796 7.311433       22.94673 16.85492 7.310308 18.37389 7.666605 -1.518976      10.59327 
1 1 1 13  2  47 o 22.07528 7.054291 25.86807       17.20983 33.77000       26.11308 19.80042       22.88240 25.15856 8.707352 21.13120 8.024048 4.027363       11.84075 
1 1 1 13  2  48 o 77.06824 3.810060 299.0589       28.65266 313.1000       46.09307 290.2161       36.57877 77.16557 6.153410 75.16497 5.000156 2.000603       7.928810 
1 1 1 13  2  49 o 15.18614 6.699864 -2.474938      19.46325 32.82000       43.71432 -11.20163      21.73663 26.67403 10.79385 14.63836 6.709105 12.03567       12.70902 
1 1 1 13  2  50 o 32.80761 6.965904 59.66663       21.67748 147.0000       47.54829 36.75162       24.35594 49.23531 10.20186 25.56085 8.409718 23.67446       13.22124 
1 1 1 13  2  51 o 53.75956 4.011003 147.1336       20.95432 150.1944       29.64123 144.0758       29.62653 53.24540 5.779936 52.04429 5.920837 1.201107       8.274296 
1 1 1 13  2  52 o 13.48519 6.037997 -4.562882      16.40949 -19.35879      23.34614 9.884303       23.06938 14.07644 6.618968 18.62281 7.721780 -4.546366      10.17038 
1 1 1 13  2  53 o 35.79087 5.959995 69.13538       20.14579 38.91000       31.46244 90.13943       26.22758 26.18547 9.508012 40.39137 6.880198 -14.20589      11.73624 
1 1 1 13  2  54 o 22.27890 7.128393 27.34509       17.56904 31.70505       25.27908 23.27138       24.43516 24.02348 8.547347 21.82259 8.290603 2.200890       11.90761 
1 1 1 13  2  55 o 43.61554 4.797932 99.11271       20.14547 112.5840       28.92958 86.43018       28.06986 45.27354 6.732788 38.97919 7.630255 6.294342       10.17601 
1 1 1 13  2  56 o 21.61694 7.540833 25.06334       19.60397 28.81879       25.80741 19.94000       30.14324 23.23931 8.583069 21.93032 8.930356 1.308996       12.38630 
1 1 1 13  2  57 o 18.51835 7.729521 10.02160       23.33664 18.79022       26.30724 -22.36000      50.55437 20.94831 8.409802 20.66320 9.723613 0.2851124      12.85587 
1 1 1 13  2  58 o 12.69587 5.939988 -13.90015      18.40385 -14.79542      25.94641 -12.99368      26.10829 15.31862 7.129102 15.59053 7.219666 -0.2719021     10.14631 
1 1 1 13  2  59 o 27.01756 7.339479 42.76235       19.90922 47.30011       28.30387 38.31826       28.01022 27.55838 9.065651 25.28138 8.996988 2.277002       12.77231 
1 1 1 13  3  0  o 357.6589 6.824825 6272.577       238.9278 6517.933       347.9973 6053.779       328.6243 364.0915 9.773544 350.9115 9.576397 13.18002       13.68318 
1 1 1 13  3  1  o 216.0123 4.398131 2285.504       92.99356 2320.818       133.2449 2251.970       129.8464 217.4951 6.265388 214.2477 6.198181 3.247375       8.813202 
1 1 1 13  3  2  o 279.2907 7.724232 3830.128       210.9603 0.000000       0.000000 3830.128       210.9603 ?        ?        279.2907 7.724232 ?              ?        
1 1 1 13  3  3  o 173.6272 3.740080 1476.304       63.56308 1516.026       91.67033 1439.521       88.21288 175.8120 5.333062 171.3189 5.266677 4.493088       7.495294 
1 1 1 13  3  4  f 330.4513 6.333327 5353.928       204.8546 5439.861       293.0674 5271.825       286.4617 332.6665 9.008492 327.4945 8.944647 5.171967       12.69487 
1 1 1 13  3  5  o 113.7858 3.001152 634.3616       33.39665 613.2944       47.43645 655.0660       47.02622 111.8094 4.342643 115.5706 4.163867 -3.761162      6.016339 
1 1 1 13  3  6  o 411.6318 7.781033 8317.144       313.5107 8523.638       451.6983 8125.204       435.4881 415.9309 11.10477 406.1204 10.96511 9.810516       15.60607 
1 1 1 13  3  7  o 133.8871 3.204427 877.7719       41.99476 861.4099       59.64129 893.8607       59.14100 132.5165 4.605017 135.0005 4.481771 -2.483932      6.425920 
1 1 1 13  3  8  o 237.9191 4.757653 2773.741       110.7971 2712.975       155.0086 2837.219       158.4288 235.0576 6.744107 240.3845 6.739852 -5.326889      9.534599 
1 1 1 13  3  9  o 311.0908 6.004712 4746.208       182.8460 4725.158       258.2609 4767.364       258.9070 309.9610 8.520350 311.3463 8.503559 -1.385284      12.03773 
1 1 1 13  3  10 o 382.6531 7.266399 7189.394       272.1640 7146.506       383.5804 7232.875       386.2292 380.7529 10.30164 383.0460 10.31058 -2.293152      14.57504 
1 1 1 13  3  11 o 350.0402 6.693408 6014.440       229.3355 5911.919       320.8707 6121.504       327.9024 346.4049 9.472129 352.4862 9.512472 -6.081299      13.42417 
1 1 1 13  3  12 o 223.9334 4.541829 2457.821       99.55332 2365.312       138.0126 2558.169       143.7413 219.4238 6.432771 228.2000 6.441611 -8.776291      9.103565 
1 1 1 13  3  13 o 222.0092 4.511059 2415.980       98.02927 2367.884       137.3792 2465.875       139.9245 219.5233 6.400267 224.0250 6.387552 -4.501755      9.042358 
1 1 1 13  3  14 o 255.2645 5.067402 3195.674       126.6141 3259.647       181.5577 3135.105       176.6614 257.4324 7.212293 252.4726 7.155821 4.959808       10.15987 
1 1 1 13  3  15 o 117.8160 3.069147 680.3447       35.36374 698.3533       51.14664 663.8500       48.94943 119.2750 4.388363 116.2936 4.307614 2.981392       6.149250 
1 1 1 13  3  16 o 32.49037 4.498583 52.73977       13.92320 50.55490       20.42010 54.63803       19.03369 31.47109 6.825735 32.82893 6.149162 -1.357841      9.187102 
1 1 1 13  3  17 o 223.6918 4.564819 2453.943       99.94935 2540.199       144.6558 2375.146       138.2604 227.2576 6.509672 219.7568 6.434536 7.500763       9.153091 
1 1 1 13  3  18 o 151.1713 3.498895 1119.864       51.77338 1130.303       73.92797 1109.817       72.52930 151.6941 4.985678 150.3170 4.936151 1.377060       7.015880 
1 1 1 13  3  19 o 187.7786 4.031620 1728.789       74.10232 1745.625       105.5629 1712.433       104.0465 188.4336 5.729960 186.6360 5.702110 1.797607       8.083719 
1 1 1 13  3  20 f 178.3848 4.491102 1561.973       78.35587 1620.713       98.54611 1461.000       129.2034 181.5702 5.551357 172.0234 7.692727 9.546860       9.486602 
1 1 1 13  3  21 o 90.70189 3.748312 404.0023       33.20637 359.3000       62.74363 421.3947       39.13663 85.05088 7.617331 92.58552 4.330511 -7.534637      8.762251 
1 1 1 13  3  22 o 257.9418 5.942476 3270.880       150.0359 3413.000       264.7773 3203.665       182.0915 262.1058 10.34072 254.8842 7.306157 7.221634       12.66138 
1 1 1 13  3  23 o 128.9122 3.744493 815.5669       47.19900 826.2000       79.48913 809.7764       58.65941 129.4282 6.293268 128.3545 4.676781 1.073746       7.840759 
1 1 1 13  3  24 o 59.91885 3.537414 176.6512       20.65470 184.2899       29.97328 169.7438       28.50251 61.03988 5.062143 58.56977 5.020050 2.470108       7.129249 
1 1 1 13  3  25 o 300.2859 5.899695 4437.544       173.4086 4509.801       247.9072 4368.318       242.6509 301.7558 8.401372 297.0004 8.355076 4.755371       11.84864 
1 1 1 13  3  26 o 171.0521 4.428442 1437.945       74.08327 1404.000       122.7789 1457.379       92.90042 168.3745 7.468328 172.0066 5.524972 -3.632141      9.289846 
1 1 1 13  3  27 o 67.26855 3.726502 222.7486       24.44101 209.0000       35.78404 234.7710       33.46228 64.89584 5.690887 68.91161 4.994759 -4.015778      7.571909 
1 1 1 13  3  28 o 116.3489 4.330383 666.2355       49.23074 646.6000       67.46552 688.6000       72.00115 114.3147 6.050943 117.9345 6.259656 -3.619804      8.706159 
1 1 1 13  3  29 o 178.7181 4.523708 1572.587       79.07153 1515.000       131.7966 1604.971       98.83488 174.4112 7.739389 180.2622 5.608257 -5.851074      9.557755 
1 1 1 13  3  30 o 47.38843 4.002010 111.2112       18.39000 108.7000       28.16865 113.0765       24.27773 46.42912 6.365674 47.57900 5.303019 -1.149883      8.285156 
1 1 1 13  3  31 o 108.0020 3.121847 573.3123       32.96808 557.2815       45.60965 590.8527       47.70898 106.2576 4.394698 109.4019 4.464599 -3.144318      6.264664 
1 1 1 13  3  32 o 74.52657 3.676232 273.9919       26.73486 260.2000       47.73586 280.2950       32.27081 71.91485 6.864605 75.25388 4.400213 -3.339035      8.153814 
1 1 1 13  3  33 o 81.18163 3.678947 325.2587       29.15798 344.0000       53.02538 317.1355       34.90974 82.74476 6.601626 79.99889 4.476018 2.745872       7.975976 
1 1 1 13  3  34 o 53.35480 3.542629 140.8605       18.39665 170.8718       26.34028 112.2795       25.70494 58.57676 4.631645 47.17075 5.681475 11.40601       7.330163 
1 1 1 13  3  35 o 77.27280 3.103851 294.4333       23.42875 307.1849       33.05410 281.5588       33.21299 78.66202 4.309394 75.24274 4.530579 3.419273       6.252760 
1 1 1 13  3  36 o 75.14398 3.118112 278.6298       22.88482 255.3656       31.45010 304.8093       33.36254 71.60976 4.509773 78.29912 4.370417 -6.689354      6.280016 
1 1 1 13  3  37 o 63.11888 3.332528 197.1188       20.51624 204.9826       28.95641 189.1918       29.07262 64.04573 4.650691 61.45379 4.873005 2.591938       6.736104 
1 1 1 13  3  38 o 57.32515 3.477759 162.9712       19.42241 178.0863       27.27306 147.4174       27.66601 59.61660 4.711984 54.03524 5.298798 5.581367       7.090843 
1 1 1 13  3  39 o 50.45537 3.750445 126.7574       18.38990 125.2510       25.48228 128.3947       26.56607 49.72921 5.317483 50.30305 5.484147 -0.5738449     7.638815 
1 1 1 13  3  40 o 43.37265 4.250902 94.47127       17.81541 100.5345       24.83333 88.04166       25.57251 44.26548 5.876471 41.14160 6.571143 3.123878       8.815488 
1 1 1 13  3  41 o 32.74621 5.315635 55.26811       16.45443 58.44524       22.67014 51.73091       23.92030 33.10148 7.202048 30.95199 7.876915 2.149487       10.67311 
1 1 1 13  3  42 o 121.8996 3.836152 740.5474       45.71550 752.1078       57.14653 720.0000       76.18737 122.2412 4.785264 118.1258 6.615624 4.115410       8.164878 
1 1 1 13  3  43 f 83.18446 3.271196 344.0024       26.58321 347.2638       37.08685 340.5561       38.12325 82.96232 4.584848 82.05560 4.767047 0.9067154      6.614044 
1 1 1 13  3  44 o 79.32916 4.040582 316.1170       31.27160 315.9806       36.41596 316.5000       61.02700 78.93636 4.734883 76.34197 8.300267 2.594391       9.555813 
1 1 1 13  3  45 o 49.00555 4.113299 121.4199       19.54876 151.9480       27.43047 89.91252       27.86695 54.35501 5.219784 40.74447 7.253297 13.61054       8.936244 
1 1 1 13  3  46 o 79.37374 3.328013 314.5214       25.79904 313.3246       36.06735 315.7753       36.91822 78.45107 4.718688 78.69541 4.815814 -0.2443390     6.742260 
1 1 1 13  3  47 o 50.24402 4.009934 127.7174       19.55742 134.4412       27.27939 120.6065       28.05360 50.80878 5.576711 47.79755 6.137693 3.011230       8.292827 
1 1 1 13  3  48 o 64.48820 3.899881 209.8998       24.50210 216.5000       38.77781 205.5134       31.61220 64.00507 6.269950 63.09768 5.163531 0.9073982      8.122458 
1 1 1 13  3  49 o 13.08062 5.908967 -6.439251      16.11202 -35.77000      24.02113 17.54865       21.72341 12.71599 6.170536 20.20625 7.781963 -7.490258      9.931488 
1 1 1 13  3  50 o 31.77989 7.194299 56.50862       21.85647 59.24000       44.27486 55.62852       25.13225 31.03764 11.27770 31.04711 8.163291 -0.9471893E-02 13.92214 
1 1 1 13  3  51 o 87.04994 4.128207 385.5192       35.07494 409.5000       65.32322 375.8045       41.57682 85.58836 7.885949 85.18651 5.008349 0.4018478      9.341935 
1 1 1 13  3  52 o 14.14032 6.280221 -3.221280      17.38181 1.665000       26.24805 -7.037603      23.19693 17.99242 7.863849 15.66959 7.083189 2.322832       10.58356 
1 1 1 13  3  53 o 33.59518 5.931635 61.01482       18.79256 52.52668       27.26977 68.69170       25.93391 29.71694 8.772004 34.56633 7.845202 -4.849386      11.76840 
1 1 1 13  3  54 o 19.15463 7.118408 17.39771       17.80086 20.23799       25.78994 14.81336       24.60060 21.34262 8.404583 19.94253 8.087295 1.400089       11.66368 
1 1 1 13  3  55 o 34.48433 6.366986 65.23573       20.69974 75.93874       27.75460 51.82000       31.07344 36.18843 8.043847 29.19368 9.492475 6.994751       12.44229 
1 1 1 13  3  56 o 38.03107 6.957403 80.81042       24.94541 75.71257       28.45053 97.76000       51.87713 35.88858 8.269024 37.14188 12.27587 -1.253292      14.80114 
1 1 1 13  3  57 o 72.62760 5.342463 278.2827       37.71373 278.2827       37.71373 0.000000       0.000000 72.62760 5.342463 ?        ?        ?              ?        
1 1 1 13  3  58 o 17.57995 7.086112 11.45022       18.75863 14.28529       27.10761 8.845033       25.98539 20.06498 8.349351 18.82228 8.021027 1.242708       11.57793 
1 1 1 13  3  59 o 38.94602 5.734010 82.58833       21.20533 71.84452       30.17811 93.06682       29.80315 33.87305 8.963810 39.65235 7.955622 -5.779301      11.98507 
1 1 1 13  4  0  o 309.4581 5.978961 4694.102       181.1064 4771.552       259.9156 4621.013       252.4919 311.6357 8.528790 306.6920 8.418793 4.943665       11.98400 
1 1 1 13  4  1  o 431.8582 9.418057 9163.052       398.1152 8000.000       627.0485 9948.494       515.2983 401.7596 15.97701 449.3596 11.72546 -47.60007      19.81795 
1 1 1 13  4  2  o 361.9708 6.890983 6425.984       244.1523 6564.295       350.8562 6296.125       339.9683 365.3186 9.820765 357.7921 9.716360 7.526459       13.81503 
1 1 1 13  4  3  o 151.4175 4.830740 1124.426       71.50558 0.000000       0.000000 1124.426       71.50558 ?        ?        151.4175 4.830740 ?              ?        
1 1 1 13  4  4  o 285.6516 5.558207 3999.277       155.4095 4023.256       221.0186 3975.828       218.5663 286.1867 7.897479 284.4991 7.856193 1.687653       11.13957 
1 1 1 13  4  5  o 324.6348 6.236038 5167.604       198.1573 5165.949       280.6736 5169.250       279.8018 324.1518 8.854293 324.2605 8.823771 -0.1087036     12.50030 
1 1 1 13  4  6  o 263.0584 5.174999 3391.345       133.2504 3452.187       191.1711 3333.854       185.8315 265.1202 7.373866 260.5432 7.293918 4.577026       10.37184 
1 1 1 13  4  7  o 132.2876 3.206204 856.9454       41.51611 791.4755       57.77960 926.8220       59.69241 127.0103 4.655484 137.4692 4.441993 -10.45893      6.434659 
1 1 1 13  4  8  o 362.7244 6.911217 6456.457       245.3791 6356.141       343.8215 6560.594       350.3062 359.2815 9.785807 365.0119 9.813609 -5.730469      13.85889 
1 1 1 13  4  9  o 110.5522 2.969596 598.8973       32.10535 590.5836       46.29506 606.6003       44.56216 109.7048 4.319691 111.1990 4.101132 -1.494247      5.956427 
1 1 1 13  4  10 o 159.3080 3.544013 1243.084       55.26360 1217.278       78.18300 1268.853       78.12611 157.4978 5.078081 160.8121 4.969274 -3.314255      7.104969 
1 1 1 13  4  11 o 72.05988 2.813958 254.6595       19.80988 242.7191       29.44280 264.5358       26.77730 70.24714 4.302617 73.38959 3.739904 -3.142448      5.700824 
1 1 1 13  4  12 o 62.68879 2.910353 192.8680       17.80963 183.5325       26.57222 200.4819       23.99739 61.02906 4.479412 63.85181 3.857580 -2.822746      5.911519 
1 1 1 13  4  13 o 145.1333 3.359118 1031.802       47.71979 997.5327       67.15854 1066.747       67.81824 142.5548 4.819901 147.4330 4.705462 -4.878143      6.735934 
1 1 1 13  4  14 o 73.11672 2.882387 262.2297       20.58844 256.3038       30.25117 267.3429       28.10055 72.18398 4.300993 73.75916 3.906103 -1.575172      5.810007 
1 1 1 13  4  15 o 255.7397 5.080966 3208.142       127.1893 3221.056       180.7780 3195.484       178.9812 255.8584 7.225615 254.8481 7.182127 1.010315       10.18786 
1 1 1 13  4  16 o 194.6901 4.101748 1858.004       78.16621 1797.450       108.9333 1922.276       112.2277 191.2507 5.825836 197.7890 5.803120 -6.538361      8.222929 
1 1 1 13  4  17 o 233.9654 4.735850 2685.067       108.4566 2806.616       157.8904 2576.476       149.2367 238.8302 6.760788 228.8374 6.669695 9.992798       9.497004 
1 1 1 13  4  18 o 245.3851 4.928492 2954.534       118.3773 3065.410       171.5652 2853.782       163.5443 249.5183 7.031596 240.7617 6.946982 8.756653       9.884528 
1 1 1 13  4  19 o 202.0377 4.898064 2003.102       96.86414 2090.462       122.1359 1855.000       159.0254 206.1625 6.058969 193.7448 8.405525 12.41774       10.36166 
1 1 1 13  4  20 o 181.4631 4.623461 1616.660       82.05555 1571.000       144.1901 1638.530       99.78993 178.2603 8.286376 182.5552 5.591116 -4.294952      9.996229 
1 1 1 13  4  21 o 49.12543 3.911223 119.0776       18.65207 87.42000       27.24107 147.0187       25.59212 41.59290 6.935176 54.51688 4.846343 -12.92398      8.460715 
1 1 1 13  4  22 o 292.9070 6.633043 4222.902       190.1730 4508.000       341.5180 4094.768       228.9543 300.6553 11.62674 287.9060 8.132556 12.74924       14.18871 
1 1 1 13  4  23 o 133.5424 3.410812 874.7877       44.54794 882.8366       64.71051 867.5369       61.41890 133.9891 4.942471 132.8479 4.730803 1.141159       6.841675 
1 1 1 13  4  24 o 173.1953 3.883078 1471.442       65.82917 1522.931       95.38299 1424.610       90.96695 175.9042 5.546662 170.1389 5.469386 5.765335       7.789713 
1 1 1 13  4  25 o 81.39433 3.807823 325.7093       30.25322 382.6214       37.72140 223.1000       50.64992 88.17340 4.384383 66.72635 7.908471 21.44705       9.042496 
1 1 1 13  4  26 o 55.59788 3.910281 152.4500       21.14433 135.4000       30.17568 168.8964       29.63679 52.08492 6.030139 58.36722 5.243291 -6.282295      7.990913 
1 1 1 13  4  27 o 70.07982 3.180970 241.3492       21.76331 239.2000       37.23100 242.4647       26.82328 69.48003 5.519759 70.16751 3.921033 -0.6874771     6.770689 
1 1 1 13  4  28 f 71.55019 3.097136 251.5779       21.63951 208.7000       37.11824 273.6543       26.63389 64.77489 5.919656 74.57111 3.660047 -9.796211      6.959761 
1 1 1 13  4  29 o 82.38519 3.472427 333.8512       27.93917 341.9000       44.96309 328.7888       35.65902 83.05298 5.562965 81.62096 4.480542 1.432014       7.142957 
1 1 1 13  4  30 o 71.14804 4.377257 250.1487       30.33637 223.9000       37.77884 297.8000       50.90163 67.04139 5.814479 77.16245 6.809167 -10.12106      8.953933 
1 1 1 13  4  31 f 130.1953 3.791123 834.6342       48.26216 758.4000       77.24347 883.4523       61.81273 123.4021 6.416934 133.7296 4.729645 -10.32751      7.971611 
1 1 1 13  4  32 o 84.78979 3.064180 353.7023       25.38922 344.8445       34.87012 363.6965       37.03956 83.51200 4.280055 85.73969 4.428450 -2.227692      6.158737 
1 1 1 13  4  33 o 112.7189 3.182281 625.3569       35.07572 630.2076       49.18460 620.3369       50.03545 112.8494 4.461496 111.9286 4.576650 0.9208069      6.391453 
1 1 1 13  4  34 o 104.6879 3.675068 541.0006       37.60052 547.9000       66.97620 537.8254       45.43630 104.3774 6.589160 104.1679 4.466558 0.2094193      7.960350 
1 1 1 13  4  35 o 103.9645 3.690359 534.1678       37.49475 523.5000       66.10301 539.2280       45.52719 101.8106 6.669913 104.2204 4.473262 -2.409752      8.031053 
1 1 1 13  4  36 o 46.89176 3.844956 109.4090       17.49309 90.67358       23.77606 131.5198       25.82920 42.15850 5.924945 51.10913 5.237032 -8.950634      7.907685 
1 1 1 13  4  37 o 126.5389 3.326154 790.7029       41.16196 791.7896       57.74664 789.5805       58.68840 126.0741 4.687611 125.8576 4.772591 0.2164993      6.689643 
1 1 1 13  4  38 o 57.29386 3.478728 162.8163       19.41706 157.8458       26.44047 168.6349       28.60705 56.05387 4.867202 57.87920 5.101615 -1.825329      7.050967 
1 1 1 13  4  39 o 26.63387 6.051165 37.16632       15.41539 60.14071       20.98616 10.24363       22.71800 33.90352 6.561061 19.36750 7.801152 14.53602       10.19341 
1 1 1 13  4  40 o 66.54723 3.392330 219.6555       22.02414 230.5226       30.72969 208.1777       31.58145 67.78522 4.659799 64.25807 5.061940 3.527145       6.880186 
1 1 1 13  4  41 o 83.78436 3.608286 348.9242       29.52235 353.1300       37.23034 341.8000       48.45549 83.91094 4.549879 81.77081 6.097847 2.140137       7.608228 
1 1 1 13  4  42 o 31.44406 5.624012 51.56726       16.67427 41.30833       22.89818 63.14811       24.32876 27.62915 8.005785 34.20864 7.475088 -6.579493      10.95306 
1 1 1 13  4  43 o 37.52573 6.096312 73.95158       21.62467 66.70465       24.13927 103.4000       48.66066 35.13068 7.260079 41.54596 11.54980 -6.415283      13.64209 
1 1 1 13  4  44 o 46.90732 4.251655 111.3688       19.30932 112.1235       26.64186 110.5338       28.02567 46.32467 6.017591 45.79203 6.429453 0.5326385      8.806207 
1 1 1 13  4  45 o 60.66492 3.622463 184.4781       21.41240 194.6657       30.00821 173.9104       30.56283 61.66920 5.014486 58.04270 5.442977 3.626499       7.400748 
1 1 1 13  4  46 o 78.97637 3.309932 311.3738       25.53045 310.3319       35.34194 312.5108       36.92082 78.10860 4.643547 78.25359 4.843899 -0.1449890     6.710133 
1 1 1 13  4  47 o 25.68522 6.913272 36.18667       17.76217 61.01000       26.82675 16.81007       23.70155 32.77499 8.342226 20.57091 8.070262 12.20409       11.60697 
1 1 1 13  4  48 o 19.07975 6.737752 17.76171       15.68303 21.42874       21.76066 13.79838       22.62275 21.25530 7.875794 19.56176 7.817179 1.693539       11.09669 
1 1 1 13  4  49 o 30.21184 6.325816 49.60693       18.10603 49.24000       27.49369 49.88792       24.06005 29.15775 8.855433 29.57013 8.083063 -0.4123764     11.98977 
1 1 1 13  4  50 o 43.61035 4.920652 98.87520       20.63846 115.5000       32.34298 87.45605       26.80517 45.53624 7.518482 39.74297 7.153545 5.793270       10.37790 
1 1 1 13  4  51 o 17.21839 7.288608 5.594137       21.21235 -58.41000      45.45766 23.41084       23.98373 17.27590 8.407311 21.87167 8.235111 -4.595764      11.76860 
1 1 1 13  4  52 o 16.46325 7.143796 1.504262       21.33338 -34.96000      49.19405 9.949994       23.67541 19.75477 9.383667 18.78909 7.809374 0.9656754      12.20817 
1 1 1 13  4  53 o 32.34758 6.106485 56.96542       18.62620 48.91702       26.84942 64.43227       25.86121 28.73304 8.756050 33.34177 8.022069 -4.608734      11.87527 
1 1 1 13  4  54 o 45.74472 5.048944 109.5500       22.23157 109.9619       29.40202 109.0000       33.97098 44.59405 6.963365 43.39067 8.300787 1.203381       10.83474 
1 1 1 13  4  55 o 40.62294 6.557454 90.54917       25.18657 88.90155       28.53475 96.36000       53.58773 39.50081 7.656572 36.84878 12.48154 2.652031       14.64281 
1 1 1 13  4  56 o 33.12679 6.273609 60.29726       19.59785 110.9967       27.83223 10.43917       27.60033 45.03250 6.502243 19.68512 8.322469 25.34738       10.56138 
1 1 1 13  4  57 o 21.70728 7.321513 25.92108       18.43818 16.58805       25.70521 35.81197       26.46230 20.35891 8.262940 24.90689 8.755819 -4.547983      12.03913 
1 1 1 13  4  58 o 17.26223 7.049468 10.08582       18.84776 30.10826       26.61967 -10.04254      26.68999 23.33542 8.698544 16.12269 7.406020 7.212736       11.42426 
1 1 1 13  4  59 o 23.05400 7.767897 30.74729       20.75510 16.84000       33.12822 39.73312       26.62907 21.40855 9.087401 25.56070 8.795322 -4.152153      12.64668 
1 1 1 13  5  0  o 443.1212 9.641206 9651.237       418.1770 8986.000       689.0353 10039.14       526.1567 425.4911 16.57587 451.2741 11.92200 -25.78308      20.41797 
1 1 1 13  5  1  f 171.2704 3.716706 1436.550       62.30841 1424.413       88.28987 1448.592       87.94595 170.4066 5.299640 171.8530 5.234305 -1.446365      7.448767 
1 1 1 13  5  2  o 256.7383 5.851552 3231.181       147.0510 2996.000       243.2420 3366.642       184.6052 246.6203 10.09771 261.8564 7.209214 -15.23613      12.40712 
1 1 1 13  5  3  o 124.4433 3.120636 758.7459       37.98203 776.7615       55.43462 742.8047       52.14554 125.8389 4.507773 123.0647 4.335674 2.774231       6.254445 
1 1 1 13  5  4  o 261.6099 5.954970 3355.444       152.4895 3025.000       248.0066 3556.306       193.3587 247.7585 10.24866 269.1032 7.347595 -21.34468      12.61040 
1 1 1 13  5  5  o 165.7499 3.631882 1345.481       58.92385 1364.996       84.86206 1327.313       81.87976 166.8072 5.203843 164.4947 5.091453 2.312515       7.280307 
1 1 1 13  5  6  o 374.8962 7.125088 6897.331       261.4614 6810.930       367.1419 6986.242       372.4395 371.8971 10.09501 376.6526 10.11117 -4.755585      14.28793 
1 1 1 13  5  7  o 225.2781 4.557777 2486.683       100.5028 2308.754       136.2753 2698.867       148.8162 216.8495 6.427351 234.4631 6.490638 -17.61365      9.134508 
1 1 1 13  5  8  o 58.90533 3.078029 170.3770       17.68578 124.9142       26.58636 206.4645       23.68692 50.17636 5.503395 64.81571 3.749556 -14.63935      6.659318 
1 1 1 13  5  9  o 189.7505 4.000422 1763.925       74.30105 1719.162       104.5231 1809.650       105.6409 187.1429 5.712705 192.0177 5.626693 -4.874786      8.018396 
1 1 1 13  5  10 o 173.5049 3.746123 1474.721       63.62093 1462.403       90.40524 1486.807       89.54805 172.6111 5.357285 174.0555 5.262126 -1.444366      7.509359 
1 1 1 13  5  11 o 100.0497 2.892745 490.6041       28.29931 477.0226       41.20475 502.7301       38.93423 98.56843 4.280949 101.2186 3.937262 -2.650139      5.816232 
1 1 1 13  5  12 o 186.3256 3.943804 1701.141       71.92734 1651.482       100.9047 1752.440       102.5566 183.3866 5.627972 188.9223 5.551950 -5.535706      7.905581 
1 1 1 13  5  13 o 94.03628 2.868947 433.4721       26.37642 387.0552       37.48624 478.9871       37.12024 88.75738 4.327852 98.79501 3.845918 -10.03763      5.789765 
1 1 1 13  5  14 o 77.17214 2.849962 292.0717       21.49113 284.6479       31.73425 298.3608       29.20868 76.08419 4.278393 77.93537 3.840705 -1.851181      5.749406 
1 1 1 13  5  15 o 90.26503 2.914083 399.4836       25.71332 425.1517       38.22379 378.2667       34.75189 93.03492 4.208307 87.75620 4.056683 5.278725       5.845214 
1 1 1 13  5  16 o 60.59909 3.150706 180.3828       18.62456 173.6483       27.23943 186.2950       25.52254 59.31435 4.730900 61.49547 4.266539 -2.181126      6.370618 
1 1 1 13  5  17 o 106.3852 3.062063 554.9003       31.85292 552.1700       45.16529 557.6023       44.92930 106.0253 4.361312 106.5504 4.316867 -0.5250473     6.136479 
1 1 1 13  5  18 o 297.2410 6.737250 4345.455       196.0187 4449.000       347.5823 4297.165       237.3655 298.9810 11.90081 295.1172 8.225089 3.863861       14.46656 
1 1 1 13  5  19 o 28.64227 5.393245 41.59663       14.56579 24.91330       20.41107 58.90934       20.79251 23.13343 7.701933 34.05564 6.474086 -10.92221      10.06149 
1 1 1 13  5  20 o 152.2182 4.039747 1136.998       60.13713 1235.000       105.9282 1090.390       73.05070 158.2631 6.854199 148.9554 5.017441 9.307709       8.494395 
1 1 1 13  5  21 o 93.84589 3.432202 432.2389       31.47474 540.5000       54.80920 378.9705       38.44604 104.7656 5.362603 87.77184 4.489890 16.99380       6.994042 
1 1 1 13  5  22 o 135.3753 3.426441 898.8973       45.36696 891.9462       64.64797 905.6419       63.68011 134.6943 4.911647 135.7395 4.800380 -1.045151      6.867891 
1 1 1 13  5  23 o 262.5174 5.251887 3386.187       134.9521 3421.242       192.6664 3352.423       189.0861 263.2336 7.485137 260.5902 7.420580 2.643372       10.54003 
1 1 1 13  5  24 f 140.2200 4.005648 965.4415       54.92167 957.9058       67.27484 980.5000       95.09943 139.5528 4.932777 140.8547 6.918810 -1.301865      8.497189 
1 1 1 13  5  25 o 104.2160 3.647413 533.3981       37.14970 531.8000       58.57685 534.4733       48.04884 103.7871 5.788960 104.1992 4.723271 -0.4120865     7.471368 
1 1 1 13  5  26 o 94.99709 3.015249 442.8690       28.00202 435.3000       50.77425 446.1775       33.56854 93.87637 5.550392 95.29636 3.605237 -1.419991      6.618503 
1 1 1 13  5  27 o 75.60512 3.095160 280.7894       22.85711 255.4000       39.06070 294.0105       28.18694 71.78703 5.603244 77.30386 3.736185 -5.516823      6.734643 
1 1 1 13  5  28 o 98.03960 3.494155 472.4013       33.47765 502.2000       55.44581 455.3053       41.99703 100.7544 5.644670 96.11615 4.476210 4.638206       7.204079 
1 1 1 13  5  29 o 119.6331 3.198868 702.9650       37.42519 658.8000       68.73060 721.5792       44.62032 115.2607 6.113907 121.1245 3.768106 -5.863739      7.181817 
1 1 1 13  5  30 o 89.66558 3.440929 395.5762       30.14401 391.5000       48.49192 398.1433       38.48279 88.81429 5.606635 89.80797 4.391005 -0.9936752     7.121466 
1 1 1 13  5  31 o 60.19320 5.655996 181.0000       32.93396 181.0000       32.93396 0.000000       0.000000 60.19320 5.655996 ?        ?        ?              ?        
1 1 1 13  5  32 o 22.39278 6.485766 25.52755       15.03140 11.26000       21.70648 38.67307       20.83549 19.54145 7.705860 27.34593 7.540689 -7.804483      10.78157 
1 1 1 13  5  33 o 61.95781 3.236917 189.3551       19.56253 218.6124       27.51421 159.4450       27.81951 66.40483 4.255424 56.49812 5.084823 9.906712       6.630539 
1 1 1 13  5  34 o 68.33820 3.182858 230.3599       21.23207 238.9179       29.72981 221.4512       30.33264 69.35531 4.402030 66.69817 4.675735 2.657135       6.421867 
1 1 1 13  5  35 o 33.35503 6.104265 57.37524       19.19550 19.36000       36.57705 71.82458       22.55037 24.96171 9.951611 37.33628 6.400689 -12.37458      11.83230 
1 1 1 13  5  36 o 18.68283 7.103193 12.96297       17.94543 -15.80000      36.29394 22.27032       20.64573 19.60137 8.860266 22.01496 7.734316 -2.413589      11.76112 
1 1 1 13  5  37 o 78.32214 3.159347 302.9999       24.17107 305.2296       33.30463 300.5184       35.13485 78.28705 4.363452 77.58877 4.647594 0.6982803      6.374939 
1 1 1 13  5  38 o 57.98486 3.478918 166.7704       19.65456 171.2773       26.55158 161.3072       29.23297 58.45635 4.679417 56.51429 5.348183 1.942055       7.106336 
1 1 1 13  5  39 o 126.3948 3.380427 790.3660       41.78465 791.2047       57.99780 789.4608       60.25145 125.8240 4.717497 125.5764 4.911244 0.2476120      6.809927 
1 1 1 13  5  40 o 58.35587 3.943101 169.8917       22.39088 160.4780       27.82142 187.2000       37.72454 56.34896 5.099278 60.33132 6.490098 -3.982353      8.253726 
1 1 1 13  5  41 o 41.16912 4.463382 85.67255       17.69890 64.89237       23.55690 112.6070       26.81928 34.89875 7.137042 46.72164 6.002932 -11.82289      9.325909 
1 1 1 13  5  42 f 10.78409 5.259115 -31.44279      18.04996 -28.27513      19.64299 -48.63000      45.75528 11.82552 5.699635 18.75381 8.947942 -6.928288      10.60903 
1 1 1 13  5  43 f 63.65668 3.602330 202.5212       22.35412 182.0598       30.11261 227.6394       33.36379 59.67056 5.207763 66.80167 5.142029 -7.131115      7.318556 
1 1 1 13  5  44 o 46.97560 4.151127 111.5747       18.89108 84.02352       25.35129 145.9756       28.32791 39.64806 6.775589 53.16601 5.523877 -13.51795      8.741957 
1 1 1 13  5  45 o 33.96865 5.449335 60.41382       17.50628 72.39771       23.89832 46.53675       25.71682 36.59174 6.925901 28.79296 8.523557 7.798784       10.98267 
1 1 1 13  5  46 o 78.32054 3.343137 306.3560       25.57030 313.5495       35.44555 298.5500       36.92345 78.52014 4.632425 76.40054 4.964296 2.119606       6.789963 
1 1 1 13  5  47 o 29.98906 5.894739 48.06971       16.68629 59.10743       23.10792 36.04339       24.12058 32.65652 7.400813 25.61127 8.365755 7.045252       11.16951 
1 1 1 13  5  48 o 47.76543 4.055846 115.8529       18.78362 113.4583       25.97000 118.4799       27.20081 46.38766 5.849356 47.32572 6.007047 -0.9380608     8.384484 
1 1 1 13  5  49 o 25.75672 6.526569 36.46358       16.47178 37.67109       22.68366 35.11663       23.95774 25.88987 8.076430 25.16850 8.343228 0.7213650      11.61199 
1 1 1 13  5  50 o 47.71882 4.642447 117.5297       21.41039 159.0000       34.19639 90.79198       27.45831 54.25275 6.573416 40.45589 7.197865 13.79686       9.747772 
1 1 1 13  5  51 o 24.31899 8.485341 32.65124       24.82321 0.000000       0.000000 32.65124       24.82321 ?        ?        24.31899 8.485341 ?              ?        
1 1 1 13  5  52 f 50.95397 4.294971 133.0905       21.22198 143.2339       30.02001 122.9574       30.00481 51.77690 6.036466 47.53368 6.628935 4.243221       8.965584 
1 1 1 13  5  53 o 48.90868 6.243611 128.9979       29.20952 56.27000       49.47984 167.9000       36.18799 30.18357 11.71218 55.40666 6.816100 -25.22309      13.55118 
1 1 1 13  5  54 o 16.36582 6.749868 7.229262       17.49981 11.65567       24.81579 2.850567       24.68168 19.33457 8.012083 17.66848 7.675247 1.666096       11.09517 
1 1 1 13  5  55 o 49.09859 5.629463 128.2485       26.56595 129.3152       30.02299 124.4000       57.02441 48.71574 6.454893 41.54181 12.77991 7.173931       14.31753 
1 1 1 13  5  56 o 34.40469 6.014859 64.40725       19.51871 64.69729       27.51226 64.11333       27.69591 32.96502 8.478689 32.76828 8.547123 0.1967392      12.03916 
1 1 1 13  5  57 o 45.20774 4.767074 106.9102       20.77737 99.07162       29.05856 115.1097       29.71988 41.73071 7.384103 45.42614 6.900753 -3.695427      10.10670 
1 1 1 13  5  58 o 12.77084 6.003570 -15.56686      19.18591 -12.20303      25.64892 -19.84000      28.90855 15.51004 7.173084 15.62898 7.354104 -0.1189394     10.27307 
1 1 1 13  6  0  o 276.8143 6.252709 3757.441       169.4193 3347.000       272.2067 4016.968       216.4535 260.5592 10.69573 285.9640 7.740102 -25.40479      13.20257 
1 1 1 13  6  1  o 267.3329 5.251683 3502.496       137.4223 3572.032       197.4181 3437.128       191.4100 269.6796 7.486054 264.5451 7.399213 5.134491       10.52565 
1 1 1 13  6  2  o 375.7072 7.138157 6926.175       262.5076 7073.981       377.1890 6787.337       365.5673 379.0581 10.17513 371.3165 10.06741 7.741638       14.31384 
1 1 1 13  6  3  o 185.4689 3.925189 1684.860       71.25867 1661.625       100.8826 1707.996       100.6678 184.0245 5.607139 186.5843 5.518060 -2.559845      7.866956 
1 1 1 13  6  4  o 174.2171 3.760294 1486.566       64.12374 1449.264       90.44292 1524.269       90.92835 171.8659 5.382876 176.2699 5.275991 -4.403992      7.537336 
1 1 1 13  6  5  o 171.4057 3.725223 1438.990       62.50053 1387.031       87.86240 1492.213       88.92538 168.1303 5.345681 174.4055 5.214920 -6.275116      7.468045 
1 1 1 13  6  6  o 247.7759 4.924866 3008.815       119.4427 2901.631       165.6515 3124.890       172.3846 243.0550 6.970009 252.2374 6.988786 -9.182312      9.870368 
1 1 1 13  6  7  o 122.8448 3.108505 739.4666       37.34784 695.9554       53.04430 782.2426       52.59423 119.0874 4.559000 126.2846 4.260925 -7.197235      6.240189 
1 1 1 13  6  8  o 147.2328 3.387232 1061.698       48.81529 1055.489       70.20183 1067.511       67.92494 146.6624 4.897032 147.5106 4.710392 -0.8481903     6.794756 
1 1 1 13  6  9  o 151.5124 3.443845 1124.393       51.07376 1054.581       71.06813 1198.960       73.44912 146.5873 4.960189 156.3233 4.805878 -9.735977      6.906515 
1 1 1 13  6  10 o 39.64868 3.715776 77.68653       14.25261 55.04752       23.64223 90.61117       17.86360 32.82146 7.520648 42.78246 4.325101 -9.960995      8.675634 
1 1 1 13  6  11 o 84.77111 2.826253 352.3034       23.41842 350.3553       35.19759 353.8508       31.36931 84.44287 4.272255 84.89977 3.784296 -0.4569016     5.707281 
1 1 1 13  6  12 o 162.1257 3.590845 1287.746       56.98423 1241.669       80.10002 1334.963       81.08475 159.0286 5.152581 164.9129 5.029052 -5.884293      7.200032 
1 1 1 13  6  13 o 72.53245 2.877759 258.0627       20.39061 230.6905       30.64437 279.8106       27.31525 68.44109 4.601065 75.47811 3.708597 -7.037025      5.909610 
1 1 1 13  6  14 o 151.1368 3.475044 1119.131       51.40873 1122.494       73.97566 1115.989       71.49369 151.1948 5.005471 150.7707 4.850763 0.4240723      6.970268 
1 1 1 13  6  15 o 157.7836 3.569011 1219.891       55.12085 1182.152       77.65010 1258.224       78.25876 155.1415 5.120391 160.0735 5.000811 -4.931961      7.157270 
1 1 1 13  6  16 o 191.4028 4.703939 1796.964       88.12846 1822.703       109.2447 1749.000       149.1298 192.5707 5.802289 188.2475 8.112408 4.323257       9.973851 
1 1 1 13  6  17 o 95.88497 3.604510 451.2165       33.76984 381.1000       63.82175 478.4808       39.79747 87.66656 7.509798 98.70184 4.128422 -11.03527      8.569769 
1 1 1 13  6  18 o 87.41635 3.356524 375.0105       28.66691 419.0000       48.70412 351.6923       35.46001 92.21877 5.419496 84.57481 4.297516 7.643967       6.916616 
1 1 1 13  6  19 o 125.5661 3.643501 773.4953       44.73404 796.7000       75.81023 761.0994       55.40880 127.1664 6.108310 124.4711 4.555510 2.695221       7.619982 
1 1 1 13  6  20 o 118.4815 3.576811 688.7322       41.43384 698.9000       69.28206 683.0707       51.69782 119.0944 5.962202 117.9094 4.487567 1.184982       7.462312 
1 1 1 13  6  21 o 81.19614 3.120197 323.5393       24.75225 323.3550       35.40183 323.7155       34.62116 81.05642 4.479444 81.11197 4.376854 -0.5554962E-01 6.262768 
1 1 1 13  6  22 o 203.9272 4.306619 2040.481       85.96426 2085.988       123.8536 1998.179       119.4117 205.8257 6.154472 201.4614 6.062381 4.364349       8.638865 
1 1 1 13  6  23 o 116.3387 3.787533 664.5285       43.07325 690.8115       54.18341 619.4000       70.99933 118.5212 4.679706 111.9589 6.506760 6.562279       8.014834 
1 1 1 13  6  24 o 141.5483 3.969464 983.8049       54.94315 1054.000       93.46914 946.7446       67.91566 146.1103 6.552203 138.7188 5.010052 7.391525       8.248151 
1 1 1 13  6  25 o 82.82647 2.989402 336.7177       24.19618 359.7000       43.09875 326.1402       29.23882 85.37156 5.181975 81.45255 3.676800 3.919006       6.353875 
1 1 1 13  6  26 o 204.6337 4.299070 2056.862       86.11086 2144.000       172.6084 2027.989       99.35817 207.6630 8.509763 203.0630 4.998808 4.599991       9.869354 
1 1 1 13  6  27 f 58.76857 3.195524 169.9108       18.31287 171.6000       30.93365 168.9993       22.72252 58.77503 5.438569 58.52538 3.990357 0.2496567      6.745441 
1 1 1 13  6  28 o 70.28671 3.062292 242.8186       21.01757 244.4000       37.52602 242.0959       25.37011 70.18353 5.506561 70.11180 3.709997 0.7173157E-01  6.639751 
1 1 1 13  6  29 o 46.51461 3.688647 106.9709       16.65692 134.5000       28.21284 92.24021       20.63774 51.88434 5.646224 42.97331 4.999578 8.911030       7.541593 
1 1 1 13  6  30 o 53.26041 3.363486 139.9175       17.44522 140.1000       29.39272 139.8183       21.67599 52.89981 5.769909 53.12597 4.202577 -0.2261581     7.138172 
1 1 1 13  6  31 o 97.24496 3.041199 464.9695       28.91238 452.9785       39.50894 478.7945       42.42297 95.77509 4.224804 98.43172 4.414343 -2.656631      6.110270 
1 1 1 13  6  32 o 101.7039 5.747057 515.4000       56.97948 515.4000       56.97948 0.000000       0.000000 101.7039 5.747057 ?        ?        ?              ?        
1 1 1 13  6  33 o 73.06057 3.518104 263.4955       25.08533 259.8000       38.71025 266.1709       32.93695 72.09469 5.527666 73.20631 4.620080 -1.111618      7.204181 
1 1 1 13  6  34 o 42.78399 4.086936 91.26418       16.90757 95.14449       23.06430 86.75680       24.85818 43.36393 5.561709 41.16542 6.375154 2.198509       8.460213 
1 1 1 13  6  35 o 79.92572 3.092019 315.0632       24.14432 321.5331       33.53582 308.1007       34.78909 80.46463 4.273245 78.68880 4.535950 1.775833       6.231811 
1 1 1 13  6  36 o 39.75166 5.353970 80.23871       20.30313 93.47000       38.97706 75.31171       23.78480 41.55464 9.751360 38.13992 6.610518 3.414719       11.78083 
1 1 1 13  6  37 o 81.50552 3.808146 329.4947       30.29733 337.6000       54.26276 325.8233       36.52002 81.30676 6.882791 80.79142 4.637544 0.5153351      8.299376 
1 1 1 13  6  38 o 102.7611 3.178008 521.6604       31.92771 529.3616       44.56830 513.5417       45.76051 103.0696 4.427958 101.4345 4.621055 1.635094       6.400075 
1 1 1 13  6  39 o 60.05215 3.859081 179.6009       22.56388 163.8037       27.84701 209.8000       38.50210 56.98706 5.044289 64.08373 6.216032 -7.096668      8.005241 
1 1 1 13  6  40 o 70.10212 3.389193 243.7767       23.18702 255.5955       32.30551 231.2190       33.29990 71.37024 4.649691 67.71223 5.060837 3.658012       6.872532 
1 1 1 13  6  41 o 32.33746 6.716113 55.51201       20.56259 53.78028       22.77188 63.16000       47.85565 31.58897 7.480900 33.89294 11.78443 -2.303968      13.95839 
1 1 1 13  6  42 o 79.29875 3.329789 312.6082       25.78824 302.8501       35.07997 324.0824       38.03974 77.48257 4.646747 80.04080 4.878513 -2.558235      6.737369 
1 1 1 13  6  43 o 25.49729 6.532001 34.99983       16.37358 36.48458       22.49362 33.32640       23.88002 25.95156 8.034003 25.10129 8.329978 0.8502693      11.57298 
1 1 1 13  6  44 o 122.3099 3.414022 745.6754       40.83279 751.1244       57.35738 740.0760       58.14322 121.6626 4.826013 120.6673 4.933102 0.9953461      6.901152 
1 1 1 13  6  45 o 82.90781 3.333698 342.9763       26.99861 347.0932       37.36253 338.4776       39.05744 82.67295 4.635639 81.45042 4.921933 1.222527       6.761255 
1 1 1 13  6  46 o 61.49001 3.632362 189.7986       21.76511 164.3822       29.21623 221.4946       32.62636 56.38202 5.358247 65.65881 5.116934 -9.276798      7.409037 
1 1 1 13  6  47 o 33.71656 5.349670 59.70089       17.06647 67.10905       23.54077 51.49355       24.77801 34.95657 7.122021 30.11614 8.190652 4.840431       10.85403 
1 1 1 13  6  48 o 22.62086 6.794284 27.81697       16.24859 -0.6513423     21.66125 64.44643       24.57072 16.31112 7.136058 33.91942 7.590428 -17.60830      10.41815 
1 1 1 13  6  49 o 62.13185 3.571766 194.3777       21.63064 184.2426       29.48389 206.1910       31.83151 59.62801 5.100528 63.02830 5.205979 -3.400291      7.288183 
1 1 1 13  6  50 f 30.88499 8.410034 55.72738       26.10438 0.000000       0.000000 55.72738       26.10438 ?        ?        30.88499 8.410034 ?              ?        
1 1 1 13  6  51 o 37.11549 5.356452 72.90912       18.89741 70.75551       25.89667 75.36213       27.63819 35.21147 7.726362 36.18103 8.015305 -0.9695663     11.13291 
1 1 1 13  6  52 o 13.32746 6.181781 -12.78259      19.25937 10.92000       27.87919 -34.42000      26.63697 19.96392 8.398199 13.68118 6.604748 6.282738       10.68421 
1 1 1 13  6  53 o 20.15542 7.432012 19.92913       19.33614 33.19000       30.50607 11.02352       24.99954 24.80419 9.298548 19.26536 8.017497 5.538832       12.27775 
1 1 1 13  6  54 o 25.99579 9.801804 37.67303       34.00418 27.64000       45.67363 50.15000       50.93356 25.46202 10.73233 29.15900 11.70321 -3.696985      15.87917 
1 1 1 13  6  55 o 31.86441 6.480793 56.26970       19.52439 30.84268       27.98201 80.39373       27.25562 23.93158 8.918827 37.43251 7.696017 -13.50093      11.78024 
1 1 1 13  6  56 o 49.15294 4.561215 125.2106       21.69469 128.5449       31.57773 122.2299       29.85642 48.18481 6.891224 47.15096 6.653801 1.033848       9.579251 
1 1 1 13  6  57 o 27.62408 7.192482 43.96192       19.63571 35.81651       28.64480 51.18219       26.96908 24.94090 9.069915 28.98112 8.763998 -4.040220      12.61234 
1 1 1 13  6  58 o 37.35860 5.972225 76.55355       21.10386 44.20042       30.57866 105.9792       29.16241 26.73243 9.411019 43.13422 7.157885 -16.40179      11.82381 
1 1 1 13  7  0  o 203.9039 4.221187 2036.767       84.24931 2081.202       121.7184 1995.898       116.7310 205.9250 6.045212 201.6687 5.919868 4.256287       8.461054 
1 1 1 13  7  1  o 305.6353 5.911509 4580.375       176.8512 4669.305       254.0423 4496.752       246.3461 308.1749 8.429671 302.4391 8.329430 5.735779       11.85069 
1 1 1 13  7  2  o 236.2340 5.469943 2735.714       126.4828 2417.000       203.5648 2936.130       161.4244 221.4965 9.410668 244.5375 6.750458 -23.04103      11.58142 
1 1 1 13  7  3  o 148.6710 4.839015 1084.308       70.32513 980.2000       96.16316 1204.000       103.1093 141.1578 6.981479 156.5040 6.746638 -15.34624      9.708664 
1 1 1 13  7  4  o 204.9137 4.230384 2057.134       84.85101 2019.124       119.6222 2095.625       120.3762 202.8156 6.032359 206.6327 5.957845 -3.817139      8.478518 
1 1 1 13  7  5  o 297.5501 5.773939 4341.627       168.1661 4163.977       231.8144 4538.968       244.3241 291.0028 8.146379 303.8201 8.223244 -12.81729      11.57520 
1 1 1 13  7  6  o 276.1461 5.406764 3738.843       146.1445 3775.962       208.8670 3703.239       204.5594 277.1502 7.706734 274.4797 7.621205 2.670471       10.83866 
1 1 1 13  7  7  o 70.49029 2.972099 243.7547       20.46082 233.6069       31.91795 250.8339       26.65892 68.87394 4.763850 71.45454 3.825537 -2.580605      6.109746 
1 1 1 13  7  8  o 183.7602 3.907971 1654.364       70.29250 1570.220       97.51483 1745.376       101.4172 178.8434 5.577285 188.5714 5.500395 -9.728012      7.833292 
1 1 1 13  7  9  o 255.4941 5.066007 3200.661       126.6931 3047.014       174.4379 3372.194       184.3117 248.9548 7.165826 261.9078 7.196313 -12.95305      10.15559 
1 1 1 13  7  10 o 330.7738 6.359393 5371.232       205.8984 5346.579       291.0045 5395.947       291.3644 329.3779 9.034610 330.9039 9.003933 -1.526031      12.75519 
1 1 1 13  7  11 o 246.3682 4.912434 2976.368       118.4643 2930.563       166.7653 3023.028       168.3132 244.1251 6.986086 247.9569 6.941659 -3.831802      9.848454 
1 1 1 13  7  12 o 85.07026 2.895008 354.8448       24.07135 357.4352       37.12825 352.9664       31.61627 85.27215 4.463813 84.78611 3.819409 0.4860382      5.874820 
1 1 1 13  7  13 o 101.1174 2.963133 501.2273       29.29641 495.0867       43.29346 506.4144       39.79058 100.3952 4.416386 101.5714 4.010116 -1.176178      5.965358 
1 1 1 13  7  14 o 98.33633 2.937253 474.0655       28.24064 477.7165       41.77443 470.9926       38.32477 98.61671 4.338283 97.94549 4.005957 0.6712265      5.904946 
1 1 1 13  7  15 o 174.1910 4.433461 1488.862       75.53040 1490.349       93.10660 1486.000       129.1705 174.1606 5.468432 173.5850 7.620872 0.5755615      9.379843 
1 1 1 13  7  16 o 156.3637 4.176857 1199.623       63.87085 1097.000       111.2441 1250.089       78.01022 149.0687 7.649606 159.5349 5.001803 -10.46616      9.139721 
1 1 1 13  7  17 o 188.0231 4.596304 1734.233       84.59142 1662.000       141.4811 1774.422       105.5320 183.4849 7.896046 189.9891 5.681162 -6.504242      9.727444 
1 1 1 13  7  18 o 158.8236 4.114562 1237.772       63.91150 1248.000       109.4224 1232.476       78.73827 159.0802 7.044696 158.3742 5.085791 0.7059784      8.688671 
1 1 1 13  7  19 o 234.6662 5.470358 2704.820       125.6529 2733.000       217.1829 2690.642       154.0542 234.8624 9.466660 233.7377 6.740502 1.124603       11.62119 
1 1 1 13  7  20 o 118.9238 3.239804 693.5963       37.67810 689.0296       54.37930 697.8130       52.25399 118.3968 4.701667 119.1730 4.487576 -0.7762222     6.499540 
1 1 1 13  7  21 o 70.41038 3.304394 243.5182       22.71023 264.1170       33.00327 224.9923       31.29873 73.21219 4.629101 67.53406 4.765353 5.678131       6.643581 
1 1 1 13  7  22 o 134.7477 3.915460 891.3243       51.58811 880.7684       63.61519 911.6000       88.16532 133.8365 4.864106 135.8893 6.648545 -2.052811      8.237881 
1 1 1 13  7  23 o 283.2842 6.465187 3952.915       179.2708 3961.000       307.2168 3948.740       220.7524 281.5782 11.16868 282.5475 7.989948 -0.9692993     13.73240 
1 1 1 13  7  24 o 94.29027 2.996874 436.2094       27.62420 458.6000       51.93633 427.3761       32.62125 96.40005 5.527288 93.27970 3.579430 3.120354       6.585076 
1 1 1 13  7  25 o 252.6973 5.855592 3145.063       144.8363 3518.000       266.9247 2989.440       172.4275 265.3247 10.29746 245.8766 7.172119 19.44806       12.54899 
1 1 1 13  7  26 o 55.30852 3.210069 150.5334       17.30383 158.7000       28.55620 145.7948       21.75222 56.54959 5.217796 54.33037 4.121033 2.219219       6.648933 
1 1 1 13  7  27 o 61.88469 3.101616 188.3221       18.72798 170.0000       30.99473 198.8580       23.50373 58.48113 5.478367 63.52370 3.797359 -5.042568      6.665766 
1 1 1 13  7  28 o 113.6729 3.578416 635.2169       39.76606 642.5000       65.02881 630.8666       50.25832 113.9029 5.852255 113.1282 4.547964 0.7746964      7.411671 
1 1 1 13  7  29 o 45.52871 3.571363 102.4691       15.78839 87.80000       24.81802 112.4419       20.46316 41.65288 6.282392 47.58285 4.444989 -5.929966      7.695867 
1 1 1 13  7  30 o 55.32790 3.262592 150.9095       17.59062 117.5000       28.18027 172.2380       22.51597 48.30968 6.094810 59.03238 3.918862 -10.72271      7.245977 
1 1 1 13  7  31 o 68.84423 3.008413 233.2744       20.22374 234.8090       27.38668 231.4341       29.99191 68.90890 4.078540 68.33201 4.509290 0.5768890      6.080147 
1 1 1 13  7  32 o 122.9616 3.255040 744.2302       39.14264 739.1910       54.12880 749.7538       56.67076 122.2168 4.532567 123.0327 4.714510 -0.8158951     6.539937 
1 1 1 13  7  33 o 72.72681 5.551851 264.6000       39.22324 264.6000       39.22324 0.000000       0.000000 72.72681 5.551851 ?        ?        ?              ?        
1 1 1 13  7  34 o 78.17121 3.520090 301.9605       26.86527 315.9000       42.80055 292.8979       34.51046 79.40652 5.541420 76.72206 4.616771 2.684456       7.212622 
1 1 1 13  7  35 o 51.79301 3.954084 133.4170       19.89426 107.4000       29.47719 155.1810       26.96042 45.68845 6.798114 55.62780 5.004859 -9.939342      8.441740 
1 1 1 13  7  36 o 127.1826 3.340844 798.7384       41.55409 811.3530       58.01424 785.4479       59.54850 127.6548 4.650694 125.5010 4.856662 2.153763       6.724293 
1 1 1 13  7  37 o 128.1129 3.990006 814.3099       49.97385 891.9000       90.26157 780.0125       60.01094 132.2534 6.997425 124.9448 4.916485 7.308586       8.551947 
1 1 1 13  7  38 f 48.52760 5.619119 119.7890       26.19823 129.1000       43.01879 114.3000       33.02962 48.91669 9.324805 46.72869 7.472943 2.188004       11.94976 
1 1 1 13  7  39 o 80.03391 3.211622 317.0073       25.10856 320.7685       34.64086 312.8439       36.44558 80.10819 4.435104 78.99446 4.735219 1.113731       6.487870 
1 1 1 13  7  40 o 44.89610 5.121505 102.4796       22.10467 100.6709       25.06872 108.8000       46.86244 44.21338 5.942944 43.74826 10.96595 0.4651260      12.47280 
1 1 1 13  7  41 o 23.62991 6.652190 29.57442       16.03434 28.81272       21.67860 30.49442       23.82504 23.78888 7.937895 24.52464 8.322328 -0.7357559     11.50093 
1 1 1 13  7  42 o 35.34494 5.040190 64.29400       16.94394 53.69717       22.91435 77.07846       25.16869 31.39631 7.549420 37.97575 7.029766 -6.579439      10.31559 
1 1 1 13  7  43 o 40.13309 4.607654 82.22686       17.77250 83.89618       24.38613 80.33578       25.95542 39.77871 6.486355 38.61270 7.129984 1.166016       9.638956 
1 1 1 13  7  44 o 33.83280 5.493983 59.91797       17.57057 52.57648       24.59824 67.56606       25.10664 30.69223 8.079023 35.08076 7.536425 -4.388535      11.04845 
1 1 1 13  7  45 o 17.79805 6.803439 12.72774       16.51941 25.16548       23.19698 -0.7027192E-01 23.53053 22.61802 8.170872 17.16769 7.475487 5.450323       11.07457 
1 1 1 13  7  46 o 21.51015 6.971724 24.32112       16.76900 41.32623       23.46089 6.558957       23.97743 27.20091 8.162766 18.48901 7.783686 8.711903       11.27903 
1 1 1 13  7  47 o 60.74170 3.704130 185.7549       21.91844 197.7404       30.61841 173.1571       31.39074 61.92329 5.096599 57.59484 5.640397 4.328445       7.601933 
1 1 1 13  7  48 o 41.15128 4.751492 87.47371       18.78793 77.19001       25.90948 98.87752       27.28406 37.31851 7.354605 42.72216 6.748358 -5.403645      9.981510 
1 1 1 13  7  49 o 37.69781 7.413552 79.28760       26.38047 0.000000       0.000000 79.28760       26.38047 ?        ?        37.69781 7.413552 ?              ?        
1 1 1 13  7  50 o 30.11339 6.237086 49.54937       17.77900 60.35448       25.26455 38.94923       25.02377 32.35160 8.018869 26.09928 8.520671 6.252321       11.70060 
1 1 1 13  7  51 o 48.63011 4.775350 122.6324       22.43808 105.4523       28.77179 149.3000       35.84648 43.74010 6.952600 51.93373 7.248882 -8.193630      10.04415 
1 1 1 13  7  52 o 53.08828 4.279376 144.5561       22.04918 144.0962       31.08598 145.0217       31.27943 51.69567 6.271443 51.84777 6.292056 -0.1520920     8.883748 
1 1 1 13  7  53 o 30.19631 8.971764 54.86550       28.45065 53.42000       34.15787 58.14000       51.41077 29.48671 9.965204 30.42335 11.90043 -0.9366417     15.52178 
1 1 1 13  7  54 o 23.78326 7.698188 31.80969       20.44983 48.35000       33.57151 22.05153       25.78596 28.29626 9.868262 21.71525 8.446981 6.581007       12.98977 
1 1 1 13  7  55 o 26.49016 8.168557 41.03347       23.28026 -9.283000      47.15168 57.25298       26.77078 21.27830 9.799548 30.93645 8.554009 -9.658152      13.00778 
1 1 1 13  7  56 o 21.95126 8.052973 25.27911       22.65485 109.9000       48.83935 2.079268       25.57252 39.90237 11.72895 17.69306 7.746803 22.20931       14.05636 
1 1 1 13  7  57 f 50.93863 4.568464 135.0195       22.53678 147.9103       33.04815 123.8135       30.81277 51.66818 6.691593 47.06445 6.892822 4.603737       9.606686 
1 1 1 13  7  58 o 26.69826 7.451697 41.94696       20.21178 47.75801       30.26589 37.26938       27.15417 27.55761 9.379637 24.99786 8.862237 2.559752       12.90414 
1 1 1 13  8  0  o 288.4361 5.624824 4079.198       158.8052 4158.002       228.5283 4005.609       220.8380 290.8209 8.035716 285.4576 7.911250 5.363342       11.27655 
1 1 1 13  8  1  o 273.3656 5.364331 3663.503       143.5376 3692.574       204.7482 3635.407       201.2817 274.1055 7.638707 271.9843 7.567922 2.121216       10.75283 
1 1 1 13  8  2  o 312.6689 6.036575 4794.979       184.7487 4863.093       264.4901 4730.079       258.1728 314.4153 8.602162 310.0987 8.513643 4.316650       12.10286 
1 1 1 13  8  3  o 430.8738 8.151299 9122.804       343.7820 9362.000       497.0976 8903.523       475.9536 435.4134 11.67416 424.6793 11.46026 10.73407       16.35921 
1 1 1 13  8  4  o 250.0897 4.971923 3065.766       121.7101 2953.579       168.8885 3186.982       175.5529 245.1805 7.044633 254.6909 7.048656 -9.510422      9.965460 
1 1 1 13  8  5  o 117.1093 3.073028 672.0828       35.19563 648.0660       51.22641 693.5568       48.43876 114.9048 4.563668 118.9031 4.168367 -3.998260      6.180805 
1 1 1 13  8  6  o 136.7928 3.266604 916.4616       43.73870 857.6754       61.62588 976.1337       62.08845 132.1934 4.770454 141.0588 4.502575 -8.865417      6.559757 
1 1 1 13  8  7  o 126.0482 3.161307 778.6235       38.97327 712.9456       55.03165 844.7081       55.20180 120.5125 4.674107 131.2200 4.303629 -10.70756      6.353621 
1 1 1 13  8  8  o 111.0069 3.008291 603.9265       32.65693 569.9856       47.26337 634.9343       45.17512 107.7446 4.491343 113.7590 4.063547 -6.014427      6.056780 
1 1 1 13  8  9  o 193.5313 4.061575 1835.412       76.93996 1772.112       107.8384 1901.045       109.8074 189.9502 5.806811 196.7567 5.707622 -6.806473      8.142236 
1 1 1 13  8  10 o 148.6849 3.424228 1082.987       49.83516 1057.129       71.31303 1107.668       69.67078 146.7382 4.972186 150.2295 4.743882 -3.491333      6.872193 
1 1 1 13  8  11 o 288.3673 5.633798 4080.651       159.0207 4112.497       227.2191 4050.079       222.6295 288.9807 8.040668 286.8001 7.938071 2.180573       11.29891 
1 1 1 13  8  12 o 308.7159 5.986047 4679.113       180.8862 4681.632       256.7698 4676.632       254.8641 308.1864 8.520031 308.0368 8.460799 0.1496277      12.00733 
1 1 1 13  8  13 o 147.7247 4.015581 1070.409       58.01026 1089.483       72.32327 1036.000       97.13805 148.9488 4.967555 145.0169 6.862757 3.931976       8.471956 
1 1 1 13  8  14 o 120.0703 3.637456 707.1487       42.70104 818.1000       86.44998 671.3437       49.11008 128.8082 6.881681 116.9358 4.297902 11.87239       8.113538 
1 1 1 13  8  15 o 109.3908 3.070725 586.6824       32.84718 523.3643       46.53108 649.5770       46.37518 103.1937 4.618336 115.0316 4.125400 -11.83787      6.192573 
1 1 1 13  8  16 o 170.6874 4.297469 1429.646       71.74224 1420.000       123.0726 1434.611       88.29542 169.6651 7.428765 170.8681 5.285589 -1.203064      9.117236 
1 1 1 13  8  17 o 58.81290 3.632567 170.1841       20.80980 156.4000       35.17579 177.6057       25.81106 56.01977 6.537758 60.01201 4.425137 -3.992241      7.894563 
1 1 1 13  8  18 o 104.5982 3.133090 536.5613       32.04155 550.0419       47.67495 525.4559       43.27159 105.7794 4.615617 103.4159 4.284014 2.363495       6.297356 
1 1 1 13  8  19 o 152.1828 3.584073 1135.271       53.38863 1102.498       75.66798 1167.760       75.33893 149.7531 5.169896 154.1488 4.999746 -4.395645      7.192029 
1 1 1 13  8  20 o 112.5708 3.237257 621.5516       35.63345 630.2035       51.49829 613.6046       49.35653 113.2209 4.656805 111.7317 4.522308 1.489151       6.491310 
1 1 1 13  8  21 o 116.7215 3.728653 668.7390       42.54528 646.3918       52.71361 710.5000       72.06039 114.6515 4.707185 120.0171 6.154604 -5.365562      7.748338 
1 1 1 13  8  22 o 132.6982 4.551898 865.5057       59.03648 872.6000       82.33833 858.0000       84.69178 132.9747 6.344265 131.8129 6.584981 1.161789       9.143942 
1 1 1 13  8  23 o 148.0636 3.462658 1074.986       50.18386 1180.000       102.0256 1041.470       57.63850 154.5684 6.759796 145.6304 4.047396 8.937943       7.878849 
1 1 1 13  8  24 o 85.18822 2.938005 356.1349       24.46177 387.6000       45.02919 342.9616       29.13586 88.62774 5.213637 83.54097 3.571291 5.086769       6.319504 
1 1 1 13  8  25 o 143.0958 3.413043 1004.429       47.80518 1113.000       96.16965 968.7958       55.09427 150.0316 6.564501 140.4169 4.012605 9.614624       7.693742 
1 1 1 13  8  26 o 137.2739 3.337849 924.5139       44.84983 964.8000       87.11509 909.9849       52.31583 139.6372 6.390558 136.0704 3.932049 3.566833       7.503349 
1 1 1 13  8  27 o 82.33113 2.951906 332.8970       23.75032 352.7000       42.94842 324.1735       28.50550 84.44429 5.221559 81.17523 3.596486 3.269058       6.340299 
1 1 1 13  8  28 o 90.22766 2.974279 399.8797       26.23214 412.8000       48.10973 394.4132       31.29321 91.29999 5.407614 89.53558 3.577863 1.764404       6.484087 
1 1 1 13  8  29 f 93.47413 3.002784 429.3462       27.43834 453.6000       50.10658 418.9583       32.79194 95.66551 5.372565 92.24805 3.638786 3.417458       6.488853 
1 1 1 13  8  30 o 100.5151 3.040501 496.6874       29.88018 497.3000       54.15620 496.4193       35.82689 100.0590 5.551260 100.3889 3.652090 -0.3299484     6.644867 
1 1 1 13  8  31 o 47.71458 3.882631 112.8910       17.97698 119.5000       26.49762 107.2548       24.46987 48.75787 5.656951 46.18890 5.521633 2.568977       7.905032 
1 1 1 13  8  32 o 46.74038 3.616040 108.2477       16.41510 102.8183       21.98816 115.0833       24.67183 45.27892 5.046893 47.86465 5.357817 -2.585735      7.360525 
1 1 1 13  8  33 o 31.81812 4.762541 51.24630       14.37722 61.31540       19.18319 38.34208       21.71659 34.60709 5.872754 27.17588 7.772587 7.431211       9.741783 
1 1 1 13  8  34 o 85.61017 3.394634 361.9120       28.38982 375.1784       35.00143 336.4000       48.53783 86.98576 4.122579 81.71777 6.112455 5.267990       7.372772 
1 1 1 13  8  35 o 44.73177 4.370053 100.1406       18.89038 89.18000       27.24545 110.2873       26.21442 41.48411 6.955731 46.56860 5.881936 -5.084496      9.109302 
1 1 1 13  8  36 f 89.27922 3.532143 394.4261       30.80611 389.7000       48.87816 397.5406       39.67910 87.97128 5.707133 89.30921 4.554025 -1.337929      7.301405 
1 1 1 13  8  37 f 101.7335 3.560321 512.4414       35.39888 542.9295       44.40712 459.3000       58.62788 104.4239 4.354122 95.12094 6.332896 9.302925       7.685307 
1 1 1 13  8  38 o 109.7848 3.871084 598.3973       41.53373 638.3000       74.50673 580.4072       50.02792 111.7282 6.845676 107.7299 4.755996 3.998260       8.335632 
1 1 1 13  8  39 o 93.99950 5.001316 443.9923       45.85112 474.3000       64.74503 413.5000       64.94198 96.03316 6.934477 89.27104 7.501373 6.762123       10.21556 
1 1 1 13  8  40 o 48.13997 4.054676 116.1860       18.92849 121.8339       25.67325 109.4592       28.01804 48.84465 5.463266 45.91113 6.409097 2.933521       8.421627 
1 1 1 13  8  41 o 102.2550 3.246344 518.7546       32.45149 522.9774       45.02575 514.1899       46.81309 102.0272 4.519789 101.0305 4.747059 0.9966354      6.554622 
1 1 1 13  8  42 o 31.29394 5.619925 51.31638       16.58196 32.45338       22.13759 75.42759       25.02848 24.76709 8.008980 37.48734 7.080364 -12.72025      10.68996 
1 1 1 13  8  43 o 14.34205 6.132524 0.9731971      15.28170 15.86064       21.27093 -14.90765      21.96915 19.94061 7.694996 14.35723 6.639474 5.583374       10.16344 
1 1 1 13  8  44 o 30.63401 5.901506 49.85432       17.05411 33.84636       23.77363 66.82507       24.47811 25.11442 8.310591 34.92107 7.391890 -9.806654      11.12232 
1 1 1 13  8  45 o 15.21117 6.375290 3.709632       15.97419 -0.5981568     22.34667 8.211035       22.84334 16.65790 7.268734 18.50730 7.679749 -1.849400      10.57417 
1 1 1 13  8  46 o 42.43341 4.574346 92.27497       18.69971 80.06305       25.66165 106.1017       27.30562 38.31861 7.103272 44.61523 6.438706 -6.296619      9.587149 
1 1 1 13  8  47 o 70.50275 3.551020 249.5356       24.42670 247.1694       33.84252 252.1090       35.29221 69.30759 5.022644 69.88065 5.196798 -0.5730515     7.227286 
1 1 1 13  8  48 o 20.49646 7.334146 20.78903       18.63843 7.268000       28.85298 30.47168       24.41647 19.79186 8.443662 23.94423 8.411098 -4.152369      11.91814 
1 1 1 13  8  49 o 51.61489 4.014087 135.5237       20.12068 139.1241       27.69124 131.4969       29.28550 51.41031 5.592872 49.60393 6.164163 1.806377       8.323288 
1 1 1 13  8  50 o 56.21354 4.304926 161.8105       23.50693 177.0998       30.54439 139.6000       36.81427 58.08124 5.435811 49.79108 7.810392 8.290161       9.515791 
1 1 1 13  8  51 o 16.91824 6.835170 9.311158       17.49812 16.59156       24.51906 1.754744       24.97952 20.36660 8.138417 17.62552 7.688090 2.741081       11.19556 
1 1 1 13  8  52 o 36.51644 7.238477 74.96913       24.95816 98.42825       28.37448 -5.233000      52.46444 42.02698 7.153563 22.76805 10.43067 19.25894       12.64802 
1 1 1 13  8  53 o 21.85887 7.283278 26.02308       18.25169 32.22570       25.99151 19.98911       25.63573 24.18086 8.659882 21.23912 8.374621 2.941746       12.04690 
1 1 1 13  8  54 o 58.70738 4.527098 177.7944       25.81390 211.6000       43.20351 159.0251       32.19202 61.69321 7.295424 54.34686 6.160077 7.346352       9.548285 
1 1 1 13  8  55 o 80.35384 4.055906 329.6146       31.79758 310.8000       51.57579 341.1510       40.38618 74.90842 7.119600 80.75935 5.135580 -5.850937      8.778547 
1 1 1 13  8  56 o 22.54234 8.648318 25.88690       26.75796 0.000000       0.000000 25.88690       26.75796 ?        ?        22.54234 8.648318 ?              ?        
1 1 1 13  8  57 o 24.93559 8.244141 36.57701       23.39652 22.80000       48.28250 40.80477       26.74654 24.54808 10.69844 26.05592 8.818036 -1.507839      13.86414 
1 1 1 13  8  58 o 19.68434 7.665682 18.13330       21.25546 8.830000       36.46145 22.92247       26.16046 20.87447 9.191337 21.55050 8.471341 -0.6760349     12.49977 
1 1 1 13  9  0  o 390.5786 8.575435 7501.473       327.8466 7071.000       545.1524 7745.368       410.3422 377.1748 14.79491 396.2490 10.58915 -19.07413      18.19394 
1 1 1 13  9  1  f 303.4447 5.881176 4516.583       174.6827 4737.480       255.9107 4323.867       239.0297 310.2965 8.433506 296.4668 8.245016 13.82974       11.79425 
1 1 1 13  9  2  o 345.3324 6.616311 5853.315       223.6451 6043.896       324.3378 5680.559       308.7981 350.2561 9.469001 339.5973 9.298505 10.65887       13.27118 
1 1 1 13  9  3  f 205.2113 4.248734 2063.504       85.34282 2078.656       122.4070 2049.171       119.0490 205.7432 6.084883 204.2914 5.959828 1.451752       8.517356 
1 1 1 13  9  4  o 165.2789 3.654032 1338.169       59.11477 1303.293       83.97534 1372.429       83.23145 162.9452 5.272007 167.2320 5.090588 -4.286789      7.328584 
1 1 1 13  9  5  o 222.7366 4.525449 2431.595       98.66417 2391.881       139.2506 2471.631       139.8156 220.6509 6.454344 224.3127 6.374353 -3.661789      9.071435 
1 1 1 13  9  6  o 350.2963 6.702870 6025.376       229.8278 6091.575       328.4580 5961.874       321.6986 351.4896 9.555739 347.7505 9.459730 3.739014       13.44614 
1 1 1 13  9  7  o 170.9047 3.732358 1431.027       62.43721 1390.530       88.57312 1471.027       88.02849 168.2867 5.384002 173.1123 5.200940 -4.825653      7.485803 
1 1 1 13  9  8  o 107.6542 2.992238 568.0457       31.50011 499.7631       45.05608 633.3321       44.05651 100.8644 4.575534 113.6166 3.967614 -12.75218      6.056193 
1 1 1 13  9  9  o 168.7232 3.696955 1394.815       61.05555 1350.745       86.30396 1438.971       86.38725 165.8510 5.323157 171.2040 5.160902 -5.353027      7.414237 
1 1 1 13  9  10 o 138.1777 3.313574 935.3206       44.81680 861.1141       62.94669 1011.609       63.82344 132.4225 4.864563 143.5712 4.547310 -11.14877      6.658979 
1 1 1 13  9  11 o 129.9618 3.228003 827.3912       41.06350 776.1301       58.51902 877.1173       57.63615 125.7132 4.764273 133.6841 4.410665 -7.970886      6.492477 
1 1 1 13  9  12 o 168.7925 4.348940 1397.773       71.79280 1385.999       88.12896 1421.000       123.7858 167.9731 5.366986 169.7923 7.466377 -1.819153      9.195179 
1 1 1 13  9  13 o 197.3064 4.806131 1909.647       92.82028 2002.000       170.1891 1870.544       110.7404 201.3233 8.656601 195.0880 5.805675 6.235245       10.42318 
1 1 1 13  9  14 o 257.0955 5.118378 3243.735       128.8051 3310.157       185.6335 3182.064       178.8705 259.2449 7.322765 254.2031 7.195963 5.041824       10.26668 
1 1 1 13  9  15 o 142.4379 3.845641 995.2734       53.56770 932.0000       90.58369 1029.300       66.42764 137.4924 6.751422 144.7722 4.693879 -7.279846      8.222785 
1 1 1 13  9  16 o 84.69803 3.360112 352.0947       27.80165 296.5000       47.50112 381.0621       34.28796 77.40482 6.324538 88.06956 3.987841 -10.66473      7.476808 
1 1 1 13  9  17 o 152.8925 3.569290 1145.784       53.41637 1119.072       76.51214 1171.183       74.60814 150.8853 5.188286 154.3929 4.943253 -3.507614      7.166175 
1 1 1 13  9  18 o 187.5566 4.055590 1725.127       74.45477 1704.428       105.8770 1745.376       104.7224 186.1390 5.818241 188.3854 5.685693 -2.246368      8.135050 
1 1 1 13  9  19 o 14.52039 6.347551 -3.821718      17.10877 -26.17181      23.19268 22.86000       25.34067 13.89000 6.551579 23.61044 8.538627 -9.720443      10.76250 
1 1 1 13  9  20 o 52.24973 4.136943 134.7562       20.98521 131.5046       28.51159 138.6000       30.99940 51.40198 5.766051 52.73370 6.119105 -1.331715      8.407782 
1 1 1 13  9  21 o 115.7714 3.554773 657.7943       40.23503 691.9000       69.08282 640.2864       49.49628 118.4418 5.978132 114.1292 4.439137 4.312569       7.446073 
1 1 1 13  9  22 o 226.1454 4.617298 2511.327       102.2073 2608.000       206.4639 2479.946       117.6322 229.1385 9.224195 224.5995 5.350706 4.538925       10.66376 
1 1 1 13  9  23 o 147.3564 3.456619 1064.871       49.85706 1156.000       100.4549 1035.087       57.42951 152.9557 6.726084 145.1707 4.045513 7.785034       7.848973 
1 1 1 13  9  24 o 105.1583 3.035909 542.5946       31.21647 509.1000       56.49016 557.3191       37.45469 101.5235 5.707584 106.5223 3.597352 -4.998810      6.746663 
1 1 1 13  9  25 o 43.31597 5.543692 93.89197       22.96656 0.000000       0.000000 93.89197       22.96656 ?        ?        43.31597 5.543692 ?              ?        
1 1 1 13  9  26 o 126.0532 3.212950 780.0457       39.61045 837.0000       77.11926 759.6362       46.16527 130.0719 6.073989 124.3158 3.798328 5.756104       7.163842 
1 1 1 13  9  27 o 109.5615 3.055448 589.4258       32.73520 569.2000       59.72525 598.1109       39.13750 107.2208 5.711398 110.2918 3.630244 -3.070976      6.767477 
1 1 1 13  9  28 o 105.7844 3.044959 549.6942       31.49612 574.7000       58.79068 539.6282       37.30056 107.7011 5.595953 104.7270 3.644290 2.974159       6.677989 
1 1 1 13  9  29 o 94.81684 2.993156 441.8445       27.74449 431.1000       49.37905 446.8013       33.53914 93.20723 5.435955 95.25850 3.603510 -2.051270      6.521878 
1 1 1 13  9  30 o 82.05764 3.008571 331.2180       24.12402 315.4000       41.36264 339.3725       29.69820 79.63699 5.337055 82.96217 3.666213 -3.325180      6.474973 
1 1 1 13  9  31 o 100.3519 3.078139 495.5276       30.19995 569.7000       57.79369 467.6669       35.42059 106.9822 5.537879 97.36510 3.723466 9.617096       6.673253 
1 1 1 13  9  32 o 132.4003 3.337732 863.5181       43.22154 939.8043       62.68248 794.3716       59.67717 137.7114 4.656882 126.5366 4.827062 11.17478       6.707241 
1 1 1 13  9  33 o 43.18330 3.891310 92.82680       16.27193 81.85567       21.53546 107.4242       24.84082 40.14456 5.635485 46.09040 5.622392 -5.945839      7.960526 
1 1 1 13  9  34 o 64.06679 3.161342 202.7010       19.76366 199.7438       26.60555 206.3418       29.52139 63.35167 4.316280 64.28981 4.724239 -0.9381447     6.399118 
1 1 1 13  9  35 o 68.06276 3.469228 229.2810       23.03635 231.1088       28.31150 225.7000       39.62763 68.14094 4.266121 66.74546 6.134097 1.395477       7.471742 
1 1 1 13  9  36 o 38.58576 5.375263 75.84822       19.75136 77.18000       25.20700 73.73000       31.78999 38.45579 6.952419 36.98612 8.891215 1.469673       11.28671 
1 1 1 13  9  37 o 40.40481 4.781700 82.50142       18.54522 84.23000       26.42291 80.82318       26.03520 40.15921 6.974779 39.30318 7.025355 0.8560295      9.899653 
1 1 1 13  9  38 o 20.97779 7.240829 20.92643       18.05286 20.61883       19.76996 22.47000       44.28711 21.22303 7.557988 26.68509 10.84019 -5.462065      13.21487 
1 1 1 13  9  39 o 41.57314 4.400212 87.10532       17.63429 94.53026       23.72787 77.94455       26.35594 42.89346 5.799951 38.36435 7.284840 4.529114       9.311730 
1 1 1 13  9  40 o 84.76432 3.928182 358.4680       32.50337 432.2000       61.42303 329.7911       38.30621 91.32455 6.922845 80.88645 4.860662 10.43810       8.458831 
1 1 1 13  9  41 o 32.11928 6.819641 55.21679       20.77703 87.84000       41.04895 43.98038       24.09087 38.99795 10.51533 28.38338 8.207856 10.61458       13.33946 
1 1 1 13  9  42 o 54.38591 3.767514 148.3683       19.93218 175.7183       27.63284 118.7029       28.77879 58.75773 4.847657 47.55222 6.340837 11.20551       7.981604 
1 1 1 13  9  43 o 50.28889 4.051298 127.6257       19.77354 157.9471       28.31094 98.74644       27.62951 55.42175 5.282590 43.01953 6.786160 12.40222       8.599868 
1 1 1 13  9  44 o 10.67913 5.130332 -21.26120      15.61481 -17.87680      23.03072 -24.14053      21.24284 14.33356 6.686001 12.86982 6.128314 1.463738       9.069667 
1 1 1 13  9  45 o 43.87127 4.479401 98.29930       18.96599 94.16462       26.69457 102.5138       26.95118 41.87143 6.742160 43.86779 6.470675 -1.996357      9.344857 
1 1 1 13  9  46 o 34.15667 5.637205 61.64257       18.19024 38.31318       25.54654 85.63500       25.90702 26.28272 8.610970 39.72820 6.913065 -13.44548      11.04261 
1 1 1 13  9  47 o 23.85757 7.446722 31.18585       19.28139 29.13000       30.93629 32.49173       24.65608 24.41794 9.316106 24.54349 8.462496 -0.1255493     12.58585 
1 1 1 13  9  48 o 43.61127 4.634959 97.99576       19.48300 93.57352       27.09056 102.7335       28.04022 41.38588 6.932385 43.47482 6.812912 -2.088940      9.719760 
1 1 1 13  9  49 o 36.69820 5.769288 71.96437       20.04084 70.21393       25.99341 74.53000       31.46926 35.11312 7.768857 35.36623 9.053156 -0.2531166     11.92957 
1 1 1 13  9  50 o 24.33773 7.134927 33.22800       18.09347 48.38629       25.77769 18.50774       25.40251 28.69234 8.543612 20.94871 8.312314 7.743626       11.92006 
1 1 1 13  9  51 o 25.06009 8.360169 35.53810       24.04667 34.57307       27.04560 39.18000       52.54007 24.94113 8.844271 27.91402 11.62037 -2.972887      14.60322 
1 1 1 13  9  52 o 54.97294 4.187533 154.7019       22.36316 175.8066       32.35651 135.4003       30.94337 57.48073 5.831480 49.92160 6.485629 7.559124       8.721786 
1 1 1 13  9  53 o 15.72432 6.705500 3.425215       18.18292 -13.35088      27.00556 17.33731       24.59257 15.99897 7.385417 20.45785 8.158695 -4.458871      11.00494 
1 1 1 13  9  54 o 48.92155 4.628503 124.1089       21.90039 150.4751       32.58702 102.3911       29.57523 52.57968 6.467831 42.65213 7.349290 9.927551       9.790041 
1 1 1 13  9  55 f 27.37350 7.263556 42.93897       19.78137 21.37355       29.76693 59.99466       26.47219 22.11165 8.921537 31.74822 8.392545 -9.636570      12.24862 
1 1 1 13  9  56 o 41.06079 6.046601 91.75488       23.57533 103.3000       43.22453 86.86617       28.12728 39.38203 10.86168 38.78912 7.680013 0.5929070      13.30258 
1 1 1 13  9  57 o 21.58193 7.935150 24.89415       22.01646 5.521000       41.41601 32.52533       25.99346 21.42331 9.592360 23.85705 8.645119 -2.433737      12.91323 
1 1 1 13  9  58 o 28.17322 8.991519 49.94250       27.96682 0.000000       0.000000 49.94250       27.96682 ?        ?        28.17322 8.991519 ?              ?        
1 1 1 13  10 0  o 306.7215 6.858572 4619.827       205.9132 4376.000       344.9360 4754.827       256.6630 297.2918 11.87748 310.7888 8.444900 -13.49698      14.57364 
1 1 1 13  10 1  o 322.0396 6.207376 5089.788       195.6696 5338.773       286.6694 4872.604       267.7371 329.2223 8.903993 314.5548 8.704096 14.66745       12.45160 
1 1 1 13  10 2  o 179.7689 3.863875 1583.356       67.98983 1589.597       97.77036 1577.513       94.61170 179.9329 5.557909 179.2634 5.398116 0.6695862      7.747903 
1 1 1 13  10 3  o 104.3119 3.013135 533.3336       30.73289 495.8661       45.11478 565.7751       41.98007 100.4732 4.599555 107.3805 4.001030 -6.907234      6.096241 
1 1 1 13  10 4  f 265.5642 5.237758 3458.766       136.1511 3463.968       193.8541 3453.702       191.2655 265.3744 7.470371 264.9964 7.380975 0.3780518      10.50168 
1 1 1 13  10 5  o 157.5301 3.551139 1215.713       54.75670 1168.475       77.62650 1262.494       77.25021 154.2703 5.147901 160.3842 4.926599 -6.113876      7.125466 
1 1 1 13  10 6  o 132.2788 3.239869 857.0844       41.94923 820.8596       60.42492 890.7869       58.28337 129.3011 4.782520 134.7330 4.425416 -5.431946      6.515888 
1 1 1 13  10 7  o 144.7505 3.388611 1026.431       48.01180 950.2551       67.39124 1104.946       68.41830 139.1127 4.957072 150.0489 4.664026 -10.93625      6.806298 
1 1 1 13  10 8  o 202.8318 4.222219 2016.541       83.82685 1924.078       116.8720 2114.509       120.3005 197.8790 6.041065 207.4637 5.930139 -9.584732      8.465283 
1 1 1 13  10 9  o 136.2437 3.299334 909.3366       43.99960 884.5914       63.88268 931.6700       60.68971 134.2136 4.870810 137.7763 4.506288 -3.562668      6.635617 
1 1 1 13  10 10 o 59.06618 3.885407 171.7183       22.33897 178.8799       30.55974 163.5000       32.73664 60.15503 5.242364 57.40750 5.910202 2.747532       7.900182 
1 1 1 13  10 11 o 68.59132 3.432594 231.0924       22.97289 229.2000       49.47940 231.6124       25.93807 67.83250 7.581643 68.63456 3.876660 -0.8020554     8.515269 
1 1 1 13  10 12 f 211.1423 4.370043 2186.060       90.31652 2208.127       130.0787 2165.521       125.4981 211.8969 6.278481 209.8669 6.115761 2.030075       8.764808 
1 1 1 13  10 13 o 178.1462 3.875690 1555.654       67.58210 1490.836       95.13789 1621.678       96.01925 174.1590 5.588098 181.6726 5.405624 -7.513687      7.774806 
1 1 1 13  10 14 o 114.6227 3.495937 644.4697       39.17711 649.2000       70.61412 642.3663       47.08900 114.7509 6.311096 114.3766 4.213267 0.3742905      7.588251 
1 1 1 13  10 15 o 130.5855 3.696217 836.5443       47.19779 759.6000       80.29128 877.1703       58.34212 124.0959 6.634160 133.6502 4.465980 -9.554298      7.997315 
1 1 1 13  10 16 o 303.5759 5.927986 4529.138       176.1492 4529.771       250.0837 4528.515       248.1526 302.8368 8.444906 302.8159 8.380151 0.2090454E-01  11.89720 
1 1 1 13  10 17 o 186.1766 4.036973 1699.800       73.56768 1608.222       102.4456 1797.311       105.7121 180.8080 5.796031 191.1753 5.655416 -10.36723      8.098006 
1 1 1 13  10 18 o 262.7336 6.059272 3394.254       155.8269 3444.988       193.6289 3301.000       262.5179 264.2592 7.493293 257.7175 10.42813 6.541626       12.84116 
1 1 1 13  10 19 o 59.66215 4.125771 175.4406       23.94568 155.3371       31.56376 202.7000       36.75444 55.90675 5.854628 63.93176 5.941358 -8.025005      8.341247 
1 1 1 13  10 20 o 192.3253 4.696280 1816.083       88.40904 1644.000       143.4013 1921.594       112.2878 182.2500 8.058508 197.5818 5.812348 -15.33185      9.935942 
1 1 1 13  10 21 o 80.12570 2.964134 315.0684       23.20741 305.4000       44.49805 318.6808       27.19953 78.57467 5.827124 80.54499 3.458036 -1.970322      6.775942 
1 1 1 13  10 22 o 84.77303 2.978912 352.6640       24.68005 350.1000       46.96067 353.6424       29.00926 84.15780 5.735040 84.84734 3.500467 -0.6895370     6.718925 
1 1 1 13  10 23 o 47.47629 3.559821 111.1874       16.42242 146.0000       29.94740 96.21689       19.63858 54.15750 5.736405 44.01297 4.627665 10.14452       7.370320 
1 1 1 13  10 24 o 138.1627 3.806643 937.6755       51.43100 911.5000       85.36581 952.5905       64.43893 135.7543 6.442657 139.1184 4.739057 -3.364105      7.997905 
1 1 1 13  10 25 o 127.0126 3.206289 791.8676       39.82981 807.3000       76.22472 786.0714       46.71460 127.7526 6.113388 126.4741 3.777738 1.278473       7.186433 
1 1 1 13  10 26 o 260.4641 5.211811 3343.596       132.8748 3674.000       278.6503 3246.355       151.1687 269.9273 10.56687 256.3481 6.024564 13.57922       12.16364 
1 1 1 13  10 27 o 31.43868 4.575708 49.67002       13.66793 72.12000       22.23993 36.04461       17.32608 37.68916 6.247170 26.45805 6.687877 11.23110       9.151767 
1 1 1 13  10 28 o 138.7380 3.355200 945.6294       45.56380 968.2000       87.85960 937.3260       53.28985 139.5282 6.450565 137.9708 3.950012 1.557449       7.563887 
1 1 1 13  10 29 o 142.3018 3.434585 995.6263       47.83998 1083.000       94.68347 965.6742       55.43670 147.3746 6.580245 139.9621 4.050773 7.412476       7.727120 
1 1 1 13  10 30 o 59.78514 3.199262 176.2201       18.65369 169.3000       30.63404 180.2979       23.51608 58.19028 5.441435 60.35132 4.003446 -2.161041      6.755501 
1 1 1 13  10 31 o 80.96150 3.000027 322.6814       23.73330 312.8000       41.24245 327.5737       29.01981 79.20689 5.350959 81.46061 3.648752 -2.253716      6.476585 
1 1 1 13  10 32 o 129.0526 3.289754 820.6269       41.52238 866.0259       58.94306 775.9041       58.50246 132.1685 4.562997 125.0122 4.789827 7.156364       6.615390 
1 1 1 13  10 33 o 18.57246 6.178720 16.48192       13.13653 26.91041       17.29420 2.257989       20.19759 23.00922 7.030401 16.89200 7.129382 6.117220       10.01272 
1 1 1 13  10 34 o 81.26725 3.072702 325.8134       24.39829 333.6295       32.92266 316.2912       36.33844 81.98135 4.115902 79.65204 4.681471 2.329308       6.233524 
1 1 1 13  10 35 o 44.71404 4.172851 99.97292       18.05257 89.34797       22.01213 121.8000       31.54979 41.91508 5.497592 48.61267 6.817554 -6.697590      8.757999 
1 1 1 13  10 36 o 95.94842 3.472742 455.6129       32.56114 460.9919       40.16499 445.3000       55.61416 96.24048 4.274334 93.78426 6.091231 2.456215       7.441306 
1 1 1 13  10 37 o 46.16389 5.447249 108.3485       24.14076 99.48000       28.18061 132.8000       46.79285 43.75803 6.800113 49.24574 10.04808 -5.487713      12.13282 
1 1 1 13  10 38 o 69.24503 3.688391 238.3531       24.90934 227.6000       36.97067 247.2926       33.70906 66.94855 5.695724 70.10995 4.943726 -3.161400      7.541996 
1 1 1 13  10 39 o 97.64924 3.646318 473.7827       34.79094 452.2000       53.79245 489.3030       45.61600 94.28615 5.857568 98.73446 4.733793 -4.448311      7.531261 
1 1 1 13  10 40 o 106.2437 3.257998 559.8684       33.84127 547.1611       46.28982 574.4575       49.59891 104.3793 4.541564 106.8254 4.755337 -2.446060      6.575639 
1 1 1 13  10 41 o 72.92378 4.029860 266.6296       28.65322 312.3000       53.14183 247.9103       34.02236 77.06372 7.125659 69.85622 5.008935 7.207504       8.710019 
1 1 1 13  10 42 o 66.20010 4.237723 221.0033       27.31560 212.6000       48.06256 225.0126       33.19844 62.63269 8.023758 66.33842 5.153039 -3.705738      9.535958 
1 1 1 13  10 43 o 15.93588 6.464950 6.815273       15.72755 10.09012       21.91620 3.338119       22.58300 18.70166 7.615077 17.51573 7.471280 1.185932       10.66815 
1 1 1 13  10 44 o 28.62893 6.196640 44.08307       16.86011 35.90523       23.29324 53.08250       24.43534 25.62786 8.208732 30.76218 8.030425 -5.134317      11.48351 
1 1 1 13  10 45 o 68.17113 3.472431 232.7521       23.09444 246.7052       32.51104 218.5394       32.81199 69.47452 4.810488 65.14503 5.188548 4.329491       7.075438 
1 1 1 13  10 46 o 44.20789 4.975062 101.0990       21.15473 101.7000       33.69128 100.7078       27.18088 42.36209 8.421864 43.25884 6.630256 -0.8967476     10.71859 
1 1 1 13  10 47 o 16.47890 6.651964 8.322178       16.55690 -1.182551      23.51783 17.66246       23.31349 16.82081 7.394989 20.54536 8.020416 -3.724546      10.90931 
1 1 1 13  10 48 o 30.54883 6.671104 51.41957       19.38775 37.73557       24.86054 72.66000       30.97317 25.85971 8.495792 35.08810 8.981278 -9.228390      12.36292 
1 1 1 13  10 49 o 30.96837 6.307958 52.48412       18.47096 50.55640       26.09899 54.41862       26.14483 29.35047 8.559392 30.46654 8.464608 -1.116070      12.03797 
1 1 1 13  10 50 o 22.44299 8.141321 26.29551       23.06023 23.06608       25.74341 39.41000       51.87747 22.01135 8.472944 27.84589 11.56566 -5.834534      14.33720 
1 1 1 13  10 51 o 36.31524 5.682857 70.60168       19.53864 71.07955       27.62825 70.12356       27.63536 34.91504 8.221112 34.64433 8.265280 0.2707062      11.65768 
1 1 1 13  10 52 o 17.17494 6.925380 10.03741       17.92442 25.64280       26.43237 -3.248144      24.38870 22.63026 8.616769 16.57339 7.395048 6.056875       11.35497 
1 1 1 13  10 53 o 44.32349 4.946933 102.7885       21.09682 93.46333       30.30444 111.5579       29.38750 40.28672 7.967266 44.90660 6.906620 -4.619873      10.54413 
1 1 1 13  10 54 o 27.50813 7.069139 43.08099       19.13616 48.40509       28.96082 38.95507       25.49458 28.27547 9.161847 25.82823 8.607992 2.447243       12.57128 
1 1 1 13  10 55 o 14.07396 6.344304 -5.506315      18.46038 -10.79054      28.17768 -1.532782      24.43446 16.61118 7.622734 16.78793 7.451668 -0.1767559     10.65990 
1 1 1 13  10 56 o 28.51870 7.252453 46.98560       20.28817 55.00081       30.36570 40.52261       27.26734 29.66148 9.357579 26.04924 8.902110 3.612242       12.91557 
1 1 1 13  10 57 o 36.94632 6.693240 76.92642       23.31449 77.71000       41.88378 76.57462       28.06442 33.37807 11.03024 35.70790 8.202326 -2.329838      13.74570 
1 1 1 13  11 0  o 162.5081 4.180688 1295.136       66.44590 1448.000       126.3811 1236.738       78.11337 171.4552 7.549033 158.7256 5.034099 12.72958       9.073591 
1 1 1 13  11 1  o 344.9162 9.398805 5867.757       317.0205 6001.000       456.8458 5744.000       440.2823 347.4111 13.45991 339.9598 13.25655 7.451324       18.89194 
1 1 1 13  11 2  o 112.7314 3.507670 623.1826       38.65814 629.5000       73.36032 620.7538       45.48614 113.0162 6.661077 112.4681 4.138899 0.5480957      7.842221 
1 1 1 13  11 3  o 199.6515 5.919363 1958.130       115.5511 1891.000       162.3784 2027.000       164.4695 195.8085 8.492283 202.7736 8.304005 -6.965103      11.87751 
1 1 1 13  11 4  o 74.50782 3.018667 272.3449       21.96965 221.7643       33.99329 308.6272       28.79043 67.03676 5.221687 79.27814 3.720503 -12.24138      6.411564 
1 1 1 13  11 5  o 169.5277 3.732975 1408.213       61.94438 1341.835       87.39601 1475.222       87.81062 165.2893 5.409111 173.3430 5.181105 -8.053635      7.490148 
1 1 1 13  11 6  o 46.27753 3.579588 105.5546       16.08876 94.51305       27.97357 111.0124       19.66711 43.34037 6.819020 47.39643 4.285502 -4.056061      8.053853 
1 1 1 13  11 7  o 147.7433 3.457500 1069.429       50.00072 1025.096       71.82196 1111.122       69.65137 144.4707 5.086855 150.4520 4.735509 -5.981262      6.949902 
1 1 1 13  11 8  f 16.28710 6.135739 9.435516       13.31809 -4.155827      26.53395 14.01272       15.39823 18.36912 7.968972 18.49184 6.660181 -0.1227169     10.38569 
1 1 1 13  11 9  o 103.6154 3.660130 526.7620       37.06334 475.3736       45.83838 623.8000       62.98939 98.33386 4.776624 112.5779 5.735107 -14.24400      7.463752 
1 1 1 13  11 10 o 123.4102 3.643861 747.0089       43.96865 700.2000       80.17957 767.1385       52.57954 119.1333 6.905410 125.0101 4.303417 -5.876793      8.136589 
1 1 1 13  11 11 o 197.9341 4.164762 1920.853       80.68949 1981.487       118.0241 1867.641       110.5651 200.7504 6.013095 194.9242 5.801357 5.826218       8.355420 
1 1 1 13  11 12 o 131.8052 3.287155 851.2199       42.40910 827.3501       62.07141 872.1176       58.07855 129.7615 4.895747 133.2749 4.458337 -3.513397      6.621563 
1 1 1 13  11 13 o 237.4469 5.506320 2768.703       127.9777 2914.000       229.9153 2703.474       154.0488 242.5504 9.703696 234.3446 6.722737 8.205780       11.80495 
1 1 1 13  11 14 o 41.42273 4.206837 85.00873       16.82058 12.01000       36.79174 104.2986       18.91287 24.35851 9.885777 45.92021 4.256155 -21.56170      10.76306 
1 1 1 13  11 15 o 70.52434 3.549003 244.3996       24.42044 251.1000       57.87675 242.9484       26.93557 70.82570 8.519323 70.28200 3.931063 0.5437012      9.382544 
1 1 1 13  11 16 f 91.98784 3.078825 415.0800       27.68275 433.7990       43.97867 402.7961       35.62618 93.89111 4.801267 90.54002 4.030066 3.351097       6.268460 
1 1 1 13  11 17 o 53.70913 4.273789 142.3998       22.28300 97.76705       31.98331 184.5000       31.06267 43.89558 7.725848 61.06826 5.247400 -17.17268      9.339375 
1 1 1 13  11 18 o 129.3321 3.892967 821.0543       49.22647 833.0467       63.09594 802.4000       78.69316 130.1549 4.961702 127.5438 6.323064 2.611115       8.037389 
1 1 1 13  11 19 o 266.6691 6.098433 3499.050       159.1832 3338.000       266.3907 3588.494       198.5253 258.8868 10.53443 269.5754 7.531044 -10.68866      12.94955 
1 1 1 13  11 20 o 99.04116 3.009218 481.1901       29.13879 493.8000       57.97413 476.9277       33.70559 99.99874 5.949786 98.56075 3.499302 1.437996       6.902540 
1 1 1 13  11 21 o 95.63062 3.420424 449.0051       31.96562 487.3000       56.30475 430.7918       38.83006 99.34239 5.815779 93.58643 4.249950 5.755966       7.203149 
1 1 1 13  11 22 o 117.2178 3.126415 674.1207       35.83920 854.4000       76.73427 623.8222       40.53164 131.5702 5.973932 112.7020 3.679075 18.86813       7.015943 
1 1 1 13  11 23 o 187.7063 4.016799 1729.880       73.80151 1927.000       154.2701 1671.379       84.04235 197.0247 8.016094 184.3456 4.661308 12.67915       9.272840 
1 1 1 13  11 24 o 112.6456 3.622679 623.4457       39.89196 0.000000       0.000000 623.4457       39.89196 ?        ?        112.6456 3.622679 ?              ?        
1 1 1 13  11 25 o 31.29837 5.982540 49.95200       17.66006 0.000000       0.000000 49.95200       17.66006 ?        ?        31.29837 5.982540 ?              ?        
1 1 1 13  11 26 o 140.2920 3.965233 968.3107       54.39665 0.000000       0.000000 968.3107       54.39665 ?        ?        140.2920 3.965233 ?              ?        
1 1 1 13  11 27 o 201.2792 4.243799 1994.298       83.61032 2041.000       165.7124 1978.349       96.84047 201.7611 8.409389 200.2674 4.940153 1.493744       9.753099 
1 1 1 13  11 28 o 49.31236 3.386237 120.0716       16.24557 102.3000       26.55261 130.7042       20.53821 44.99792 6.192530 51.35509 4.120306 -6.357174      7.438034 
1 1 1 13  11 29 o 125.4904 3.233910 774.6467       39.69014 855.9000       78.12196 746.3768       46.08031 131.0754 6.105772 123.0518 3.830457 8.023666       7.207833 
1 1 1 13  11 30 o 22.50245 5.983527 26.09480       13.40603 18.28000       20.29161 32.14790       17.85856 20.93004 7.630394 24.98041 7.016181 -4.050373      10.36580 
1 1 1 13  11 31 o 91.81195 3.043778 415.0496       27.31604 418.2000       48.75114 413.6079       32.97927 91.55193 5.465024 91.52312 3.688881 0.2880096E-01  6.593507 
1 1 1 13  11 32 o 67.42653 3.124847 224.3089       20.56758 243.0095       27.94524 202.2060       30.38107 69.98913 4.097080 63.62598 4.916341 6.363144       6.399724 
1 1 1 13  11 33 o 38.38321 4.725000 74.23238       17.37787 46.20216       20.84533 138.1000       31.46559 29.63676 7.247093 52.08288 6.300007 -22.44612      9.602627 
1 1 1 13  11 34 o 74.88546 3.389208 277.3066       24.77849 269.8731       30.11081 292.9000       43.61094 73.67191 4.192866 76.19101 5.893491 -2.519096      7.232798 
1 1 1 13  11 35 o 28.16843 5.543492 41.07549       14.74001 31.15888       19.04648 55.88338       23.27447 24.52544 7.353670 32.47192 7.477183 -7.946472      10.48736 
1 1 1 13  11 36 o 22.59860 7.016007 26.08757       17.14048 28.28423       18.73830 14.83000       42.41997 23.50702 7.341673 25.23610 10.46804 -1.729088      12.78593 
1 1 1 13  11 37 o 40.82207 4.284039 83.79186       16.86333 73.70358       21.75157 98.99023       26.69810 37.73839 6.096170 43.74089 6.427252 -6.002502      8.858491 
1 1 1 13  11 38 o 42.95580 4.900509 93.54618       20.23669 95.99912       22.28794 82.03000       48.29261 43.37748 5.363412 38.00715 11.77275 5.370323       12.93691 
1 1 1 13  11 39 o 12.33759 5.625027 -8.688737      15.01917 -6.744000      20.95559 -10.74288      21.53697 15.31458 6.842625 14.91185 6.774188 0.4027252      9.628662 
1 1 1 13  11 40 o 52.09811 4.164675 136.5300       21.06108 112.4000       31.41914 156.2199       28.38167 46.00124 7.214899 55.30173 5.308266 -9.300495      8.957257 
1 1 1 13  11 41 o 59.93086 4.036456 180.5743       23.54054 193.4000       36.49338 171.4341       30.80702 60.96806 6.201339 57.72895 5.519036 3.239105       8.301588 
1 1 1 13  11 42 o 49.52620 3.990954 123.6662       19.18349 118.0848       26.65221 129.6662       27.63350 47.60918 5.841488 49.95840 5.756042 -2.349220      8.200915 
1 1 1 13  11 43 o 47.03214 5.284199 114.3730       23.90621 96.42000       45.33056 121.2899       28.13711 39.74221 11.18388 48.02546 6.124689 -8.283245      12.75112 
1 1 1 13  11 44 o 27.08945 7.480063 40.66750       20.48629 32.54000       40.04094 43.54943       23.84335 26.48328 10.45890 27.86424 8.196433 -1.380964      13.28797 
1 1 1 13  11 45 o 48.11214 4.728719 118.7709       21.98177 85.92000       34.73431 140.7175       28.39029 38.37352 9.337422 51.89791 5.681474 -13.52439      10.93008 
1 1 1 13  11 46 o 51.23978 4.054070 133.2065       20.16757 143.3964       28.16866 122.4900       28.88743 52.37493 5.580449 47.95167 6.307372 4.423256       8.421659 
1 1 1 13  11 47 f 74.50324 3.764639 279.8920       27.36497 306.5827       35.06270 238.3000       43.76937 77.39385 4.649863 66.54787 6.815567 10.84598       8.250648 
1 1 1 13  11 48 o 35.68935 5.357309 67.30452       18.13782 74.02709       25.30227 60.19842       26.01402 36.36377 7.361472 32.24354 8.219147 4.120235       11.03384 
1 1 1 13  11 49 o 20.39996 7.862813 18.72633       22.18968 14.42175       24.76138 36.28000       50.00267 19.95618 8.106019 27.31917 11.35149 -7.362982      13.94862 
1 1 1 13  11 50 o 19.47064 7.145778 18.35506       17.84088 46.82570       25.66970 -8.248384      24.81368 28.23228 8.552969 16.01043 7.272473 12.22186       11.22685 
1 1 1 13  11 51 o 21.95581 7.277553 26.31944       18.22851 32.70111       26.45415 20.55007       25.15304 24.33738 8.734141 21.28338 8.324347 3.054001       12.06565 
1 1 1 13  11 52 o 29.00295 6.857437 47.31360       19.15898 32.88337       27.81773 60.33567       26.42561 24.45063 8.930954 31.95577 8.355509 -7.505140      12.23015 
1 1 1 13  11 53 o 13.25486 6.068171 -8.790326      17.71502 1.964817       26.96379 -16.95830      23.49794 18.12332 7.944438 14.35289 6.714168 3.770434       10.40164 
1 1 1 13  11 54 o 27.67484 7.111652 43.71218       19.36763 46.23472       29.25425 41.74380       25.84196 27.67371 9.220828 26.56634 8.657901 1.107372       12.64843 
1 1 1 13  11 55 o 47.35291 4.801193 117.2442       21.94645 130.5863       32.61079 106.1991       29.67100 48.27476 7.114417 43.36891 7.244910 4.905849       10.15400 
1 1 1 13  11 56 o 15.52905 6.912168 -2.224827      21.17343 -20.68000      38.74249 5.634937       25.28327 18.18057 8.541831 18.08696 7.812735 0.9361458E-01  11.57591 
1 1 1 13  11 57 o 19.26000 7.877611 14.45597       23.58160 39.18000       41.50939 2.674000       28.65469 25.95338 10.51235 18.33275 8.106862 7.620632       13.27520 
1 1 1 13  12 0  o 259.2880 5.934573 3300.327       150.6184 3127.000       253.5837 3394.805       187.2211 251.4116 10.32655 262.6716 7.288791 -11.25995      12.63978 
1 1 1 13  12 1  o 228.6276 6.571772 2569.845       146.9151 2498.000       206.1451 2644.000       209.4326 224.8753 9.386009 231.3914 9.265521 -6.516068      13.18890 
1 1 1 13  12 2  o 171.7233 3.762201 1445.007       63.23790 1435.155       91.06461 1454.183       87.88397 170.9352 5.449634 172.0907 5.223349 -1.155548      7.548635 
1 1 1 13  12 3  o 90.77320 2.989663 404.0203       26.52731 363.4467       40.24721 435.1854       35.27346 85.95458 4.802761 94.15845 3.835239 -8.203865      6.146183 
1 1 1 13  12 4  o 58.79125 3.910321 170.1388       22.37463 128.4507       30.65008 217.7000       32.73803 50.75526 6.304935 66.42609 5.073483 -15.67084      8.092740 
1 1 1 13  12 5  o 55.10316 3.342435 149.2999       17.94314 105.1084       30.24216 173.3077       22.29045 45.72620 6.977457 59.34242 3.858411 -13.61622      7.973219 
1 1 1 13  12 6  o 199.3518 4.187444 1948.160       81.71004 1850.963       114.0938 2050.503       117.0748 194.0551 6.013885 204.2784 5.861167 -10.22322      8.397624 
1 1 1 13  12 7  o 96.11236 3.636880 453.3204       34.15311 399.9218       42.83556 546.5000       56.58486 90.16263 4.871781 105.3755 5.505076 -15.21282      7.351198 
1 1 1 13  12 8  o 117.5199 3.177661 677.0989       36.51962 671.2420       55.07417 681.6953       48.78835 116.8776 4.824419 117.8392 4.236696 -0.9616165     6.420640 
1 1 1 13  12 9  o 150.9793 4.029950 1118.267       59.50243 1112.000       108.2579 1120.980       71.22590 150.1341 7.389424 151.0849 4.822443 -0.9508514     8.823806 
1 1 1 13  12 10 o 110.5806 3.091872 599.5328       33.43336 587.7914       50.64017 608.6050       44.51387 109.3581 4.742110 111.3404 4.091435 -1.982292      6.263183 
1 1 1 13  12 11 o 160.7997 4.142783 1268.687       65.15108 1374.000       120.9858 1225.675       77.31924 166.8853 7.425045 157.9551 5.007220 8.930191       8.955644 
1 1 1 13  12 12 o 88.87274 3.380212 387.6161       29.35124 290.4000       54.73064 426.8632       34.77483 76.44101 7.407457 93.23627 3.818510 -16.79527      8.333753 
1 1 1 13  12 13 o 141.1492 3.871645 977.5125       53.44039 823.3000       88.93408 1064.664       66.85689 129.1325 7.062902 147.2325 4.644937 -18.10007      8.453403 
1 1 1 13  12 14 f 31.98081 4.886174 51.34568       14.81094 -10.17858      29.71863 71.67641       17.08371 18.57790 8.233593 37.93078 4.701945 -19.35288      9.481579 
1 1 1 13  12 15 o 25.17118 5.898170 32.39375       14.27658 -5.151681      29.69385 43.68228       16.28196 19.32223 8.405844 29.29511 5.882659 -9.972879      10.25982 
1 1 1 13  12 16 o 107.0686 3.668608 562.6852       38.39083 527.6865       49.44712 615.8000       60.91480 103.5612 4.891781 111.8074 5.583705 -8.246223      7.423428 
1 1 1 13  12 17 o 195.8014 4.837014 1882.339       92.70417 1809.097       112.6516 2036.000       163.1698 191.6949 6.011153 202.8600 8.234564 -11.16513      10.19520 
1 1 1 13  12 18 o 88.93475 3.000171 388.0425       26.07964 322.7000       51.98988 410.0133       30.14698 80.67484 6.642562 91.39169 3.375809 -10.71685      7.451156 
1 1 1 13  12 19 o 153.6394 3.544539 1157.527       53.30507 1158.000       105.8663 1157.366       61.69657 153.0634 7.085326 153.5226 4.109351 -0.4591827     8.190764 
1 1 1 13  12 20 o 38.26369 4.299544 72.76917       15.82501 138.3000       35.63860 56.67493       17.66172 52.47492 7.122121 33.50244 5.582114 18.97248       9.049011 
1 1 1 13  12 21 o 168.8934 3.751483 1399.584       62.01857 1579.000       129.8230 1346.532       70.59484 178.5815 7.443243 165.5313 4.360789 13.05025       8.626607 
1 1 1 13  12 22 o 59.39602 3.119400 173.4624       18.07214 223.2000       36.08168 156.8064       20.88000 67.10619 5.542483 56.39663 3.804698 10.70955       6.722711 
1 1 1 13  12 23 o 155.2303 3.559876 1182.541       54.09008 1308.000       111.2954 1143.744       61.89106 162.4730 7.014785 152.5323 4.149190 9.940628       8.150030 
1 1 1 13  12 24 o 76.35073 3.538173 286.7734       26.37036 0.000000       0.000000 286.7734       26.37036 ?        ?        76.35073 3.538173 ?              ?        
1 1 1 13  12 25 o 128.8978 3.237206 816.0073       40.81110 794.6000       77.45848 824.2335       48.01636 126.5835 6.271046 129.4618 3.793237 -2.878311      7.329029 
1 1 1 13  12 26 o 104.0161 3.026847 531.4693       30.78472 554.2000       58.60862 522.8084       36.17721 105.7348 5.683770 103.0870 3.590780 2.647835       6.723015 
1 1 1 13  12 27 f 218.4339 4.526144 2352.297       96.77309 2446.000       194.5236 2321.479       111.5577 220.1850 9.044902 216.7222 5.258842 3.462845       10.46258 
1 1 1 13  12 28 o 88.05704 3.359759 381.7955       28.90553 472.1000       50.53550 337.8848       35.23928 97.51268 5.314642 82.65366 4.371250 14.85902       6.881370 
1 1 1 13  12 29 o 83.06925 3.000147 339.5637       24.35427 351.7000       44.25615 334.2920       29.16801 84.03701 5.408902 82.31746 3.628919 1.719551       6.513469 
1 1 1 13  12 30 o 106.2594 3.094473 555.7928       32.15121 548.5000       58.96145 558.8789       38.35533 104.8179 5.769054 106.4262 3.687462 -1.608299      6.846850 
1 1 1 13  12 31 o 108.3624 3.118816 578.4297       33.04627 550.3000       59.35223 591.0682       39.78322 104.8581 5.805333 109.3918 3.720846 -4.533676      6.895403 
1 1 1 13  12 32 o 94.54447 3.408675 441.3673       31.49318 456.7697       38.83924 411.8000       53.81241 95.98119 4.143837 90.43336 6.115178 5.547836       7.386934 
1 1 1 13  12 33 o 43.26886 4.176525 93.59013       17.46915 102.2391       21.54021 76.97000       29.85960 45.05449 4.966647 38.07988 8.249845 6.974609       9.629513 
1 1 1 13  12 34 o 21.34170 6.340302 23.35331       14.20933 27.81328       18.72745 17.30213       21.81387 23.39361 7.344428 20.87024 7.854687 2.523367       10.75345 
1 1 1 13  12 35 o 45.61889 4.650990 104.6972       20.47788 110.9727       23.04770 81.17000       44.62611 46.85194 5.108312 38.22755 11.20485 8.624393       12.31436 
1 1 1 13  12 36 o 22.87231 6.563030 27.24657       15.45922 14.30400       20.13364 45.83768       24.13040 19.58542 7.504865 29.29111 8.129695 -9.705696      11.06413 
1 1 1 13  12 37 o 35.17685 4.832150 62.98657       16.19889 80.19288       21.68060 41.24266       24.37230 39.47475 5.782505 27.84401 8.311425 11.63074       10.12508 
1 1 1 13  12 38 o 92.22090 3.186799 421.1447       28.72349 448.4575       39.22646 389.5700       42.17602 94.74642 4.240450 87.98413 4.916840 6.762291       6.492822 
1 1 1 13  12 39 o 41.80833 5.175397 89.45288       20.72753 92.29572       22.77209 75.72000       50.05044 42.30941 5.638972 36.24154 12.06051 6.067871       13.31367 
1 1 1 13  12 40 o 15.71349 6.334113 6.700369       14.98931 16.18931       20.33478 -4.590431      22.18160 19.88825 7.561345 16.06390 7.116668 3.824352       10.38369 
1 1 1 13  12 41 o 58.27980 4.092206 171.1309       23.19598 161.4000       35.40276 178.4506       30.70471 55.30918 6.674107 58.91643 5.383732 -3.607250      8.574862 
1 1 1 13  12 42 o 15.35402 6.487301 2.876083       16.75295 3.717000       26.37608 2.307427       21.68994 18.75816 8.039557 17.02294 7.293059 1.735222       10.85464 
1 1 1 13  12 43 o 47.04987 4.674327 113.2429       21.24263 104.0000       32.89090 119.8575       27.82404 43.31992 8.053130 47.72373 6.095274 -4.403809      10.09977 
1 1 1 13  12 44 o 42.75904 6.610670 97.95885       26.77651 0.000000       0.000000 97.95885       26.77651 ?        ?        42.75904 6.610670 ?              ?        
1 1 1 13  12 45 o 39.56651 5.904480 82.93915       22.16851 59.13000       39.71944 93.71150       26.71693 31.45676 10.74432 41.62042 6.792064 -10.16366      12.71112 
1 1 1 13  12 46 o 21.58322 7.995356 22.49920       22.42390 0.7313000      37.21250 34.91000       28.09834 20.83718 9.225223 25.38890 9.013598 -4.551722      12.89766 
1 1 1 13  12 47 o 16.54786 6.687551 8.467651       16.75612 17.69688       24.24449 0.2780027E-01  23.18450 20.68587 8.147980 16.87683 7.383150 3.809042       10.99547 
1 1 1 13  12 48 o 14.44084 6.650637 -11.83210      21.71786 -24.18225      24.26075 37.99000       48.72805 13.86373 6.586634 27.49033 11.29287 -13.62660      13.07336 
1 1 1 13  12 49 o 28.10263 6.837569 44.27122       18.62683 45.03456       26.96628 43.57466       25.75976 27.64858 8.829772 27.28118 8.620293 0.3673992      12.33995 
1 1 1 13  12 50 o 24.20785 7.264720 32.94403       18.58250 37.57237       27.14978 28.86491       25.48810 25.67515 8.878888 23.35608 8.546018 2.319075       12.32352 
1 1 1 13  12 51 o 24.74561 7.314925 34.70258       18.95176 14.00135       27.70756 52.90214       25.97949 20.42507 8.465197 29.87996 8.486702 -9.454889      11.98681 
1 1 1 13  12 52 o 21.75852 7.431684 25.60676       19.00287 38.62979       28.31738 14.93728       25.63119 25.86588 9.060251 20.14004 8.222240 5.725838       12.23493 
1 1 1 13  12 53 o 41.40611 5.331478 90.87652       21.10724 90.74614       31.26204 90.98574       28.61376 39.30383 8.381954 39.95326 7.594242 -0.6494293     11.31060 
1 1 1 13  12 54 o 22.79431 7.548344 29.04216       19.61156 36.43790       30.03930 23.54815       25.89068 25.29180 9.273905 21.94889 8.484347 3.342913       12.56939 
1 1 1 13  12 55 o 22.47727 8.028926 27.70645       22.32702 45.59000       41.74161 20.53938       26.42488 27.49299 10.73213 21.26495 8.464883 6.228046       13.66868 
1 1 1 13  12 56 o 44.76964 6.798017 112.4317       28.85492 34.90000       46.14849 162.2000       36.97383 25.79171 10.82461 53.43843 7.255889 -27.64672      13.03150 
1 1 1 13  12 57 o 15.68270 7.293931 -13.77979      27.09299 -18.45098      31.73541 -1.225000      52.02777 16.48730 7.741417 22.19592 10.24781 -5.708630      12.84317 
1 1 1 13  13 0  o 55.05917 3.366514 149.0767       18.05657 148.1914       30.24600 149.5669       22.50746 54.64491 5.740340 55.07635 4.206820 -0.4314423     7.116800 
1 1 1 13  13 1  o 215.3661 6.283347 2280.355       132.3153 2177.000       184.4191 2390.000       189.9476 209.9229 8.995972 220.0052 8.838522 -10.08234      12.61138 
1 1 1 13  13 2  o 82.65144 2.999213 335.0557       24.22385 305.1808       37.47381 356.4999       31.74896 78.72650 4.887056 85.20377 3.816525 -6.477272      6.200741 
1 1 1 13  13 3  o 186.6303 3.990767 1707.281       72.90289 1650.421       103.0415 1764.271       103.1591 183.2560 5.751562 189.5016 5.567494 -6.245575      8.004839 
1 1 1 13  13 4  o 141.2393 3.400185 977.4138       47.00719 923.7682       67.71841 1027.302       65.30373 137.1226 5.054000 144.6567 4.617958 -7.534119      6.846054 
1 1 1 13  13 5  f 117.3938 3.604731 675.9881       41.37225 590.7000       75.15479 713.0721       49.55715 109.3646 7.058280 120.5260 4.207128 -11.16140      8.217010 
1 1 1 13  13 6  o 152.8837 4.148777 1146.790       62.02774 1085.214       75.56309 1274.000       108.6091 148.6118 5.202603 160.8005 6.916547 -12.18877      8.654808 
1 1 1 13  13 7  o 114.6054 3.569394 644.2985       39.99227 634.9000       75.90744 647.9097       47.05223 113.4118 6.870077 114.8765 4.191519 -1.464752      8.047782 
1 1 1 13  13 8  o 177.4617 3.891346 1543.801       67.59442 1446.240       94.77399 1644.810       96.43352 171.5162 5.652903 182.9603 5.390622 -11.44406      7.811153 
1 1 1 13  13 9  o 212.1311 4.401680 2207.079       91.39639 2160.401       129.6376 2253.209       128.8739 209.5422 6.327776 214.0295 6.157958 -4.487350      8.829564 
1 1 1 13  13 10 o 94.83762 3.389826 441.3233       31.41704 438.5000       62.04625 442.2968       36.43278 94.17036 6.776553 94.90028 3.930608 -0.7299118     7.833987 
1 1 1 13  13 11 o 182.9075 4.517527 1641.257       80.87949 1646.000       143.2710 1639.039       97.98603 182.5277 8.038772 182.5987 5.488499 -0.7095337E-01 9.733728 
1 1 1 13  13 12 o 156.9416 4.090235 1208.702       62.78013 1232.000       113.0070 1198.302       75.50329 157.9833 7.327784 156.1676 4.945574 1.815750       8.840538 
1 1 1 13  13 13 o 103.5325 3.133164 525.7206       31.71511 515.1848       49.49327 533.0609       41.31127 102.3242 4.956271 104.1788 4.058959 -1.854584      6.406229 
1 1 1 13  13 14 o 119.6667 3.243575 702.3042       37.95794 667.8855       56.72936 730.2047       51.07591 116.5278 4.985133 121.9291 4.286260 -5.401306      6.574464 
1 1 1 13  13 15 o 24.85129 6.516535 31.50247       16.04348 16.69268       30.97946 36.93000       18.75429 23.64129 9.240709 26.89313 7.042519 -3.251831      11.61842 
1 1 1 13  13 16 o 144.5243 4.029106 1025.354       56.94189 988.9996       71.17451 1090.000       94.90994 141.8020 5.136344 148.6533 6.538751 -6.851334      8.314884 
1 1 1 13  13 17 o 212.1842 4.389976 2209.726       91.17620 2178.000       180.8203 2220.542       105.5811 209.5699 8.834608 212.6016 5.073568 -3.031693      10.18781 
1 1 1 13  13 18 o 171.6826 3.792460 1445.812       63.73140 1353.000       123.1487 1479.761       74.48098 165.3411 7.629833 173.5653 4.387576 -8.224121      8.801430 
1 1 1 13  13 19 o 133.0694 3.307563 868.1916       43.08168 847.4000       85.63823 875.2362       49.84874 130.9328 6.704424 133.5140 3.818276 -2.581268      7.715474 
1 1 1 13  13 20 o 95.11896 3.043241 443.9962       28.29765 389.5000       55.42435 463.2108       32.91037 88.65178 6.430871 97.11914 3.467522 -8.467361      7.306149 
1 1 1 13  13 21 o 119.4698 3.143891 700.3773       36.73282 675.9000       71.60889 709.1180       42.79171 116.9016 6.281131 120.1598 3.642469 -3.258209      7.260867 
1 1 1 13  13 22 o 117.1940 3.655045 674.7641       41.87674 0.000000       0.000000 674.7641       41.87674 ?        ?        117.1940 3.655045 ?              ?        
1 1 1 13  13 23 o 101.2109 3.534115 503.4469       34.95805 0.000000       0.000000 503.4469       34.95805 ?        ?        101.2109 3.534115 ?              ?        
1 1 1 13  13 24 o 113.2342 3.103293 629.6411       34.36346 712.6000       69.11060 602.3950       39.60649 119.9564 5.904069 110.6818 3.660848 9.274544       6.946930 
1 1 1 13  13 25 o 63.20564 3.090556 196.5518       19.06250 217.8000       36.16449 188.3769       22.43176 66.15753 5.638341 61.79920 3.725596 4.358334       6.758029 
1 1 1 13  13 26 o 66.16396 3.056729 215.4040       19.74283 224.6000       37.09512 211.7697       23.32000 67.12946 5.699258 65.52707 3.650240 1.602386       6.767998 
1 1 1 13  13 27 o 53.23868 3.355824 139.8864       17.39873 188.8000       32.87137 120.8498       20.50681 61.49917 5.519258 49.32885 4.289699 12.17033       6.990259 
1 1 1 13  13 28 o 65.50098 3.118800 211.3670       19.93849 224.4000       36.45665 205.8050       23.81592 67.01633 5.609038 64.53022 3.787139 2.486107       6.767846 
1 1 1 13  13 29 o 73.90398 3.058159 269.0229       22.07470 273.9000       39.66224 266.8341       26.57033 74.04857 5.511632 73.49265 3.705530 0.5559158      6.641464 
1 1 1 13  13 30 o 89.91838 3.085400 398.3013       27.11579 417.1000       49.17561 390.0884       32.50374 91.37209 5.524123 88.84811 3.745884 2.523972       6.674398 
1 1 1 13  13 31 o 60.59219 3.651487 181.8598       21.55622 176.5000       33.64809 185.5908       28.07371 59.12531 5.892449 60.96584 4.741689 -1.840527      7.563371 
1 1 1 13  13 32 o 86.97945 4.072859 375.3083       34.57917 365.1000       46.69851 387.7000       51.45084 85.26724 5.626636 87.71453 6.029266 -2.447289      8.246883 
1 1 1 13  13 33 o 40.93396 4.303630 84.02461       16.98585 80.26199       22.49449 89.01622       25.90901 39.55436 5.997895 41.51187 6.596811 -1.957516      8.915866 
1 1 1 13  13 34 o 61.13299 3.954969 185.9715       23.53900 186.0237       26.88470 185.8000       48.72281 60.98412 4.536323 59.33728 8.642532 1.646835       9.760716 
1 1 1 13  13 35 o 57.02234 3.581229 161.5079       19.88770 179.6431       26.32252 137.3857       30.35812 59.89705 4.523110 51.83504 6.100008 8.062012       7.593986 
1 1 1 13  13 36 o 92.98798 3.144358 427.5829       28.57853 415.2613       38.07979 443.4724       43.24309 91.23917 4.275793 94.10631 4.709493 -2.867134      6.360953 
1 1 1 13  13 37 o 51.94550 3.749552 134.5851       18.93656 137.3702       24.92462 130.7825       29.12368 52.12841 4.943906 50.47093 6.013327 1.657475       7.784749 
1 1 1 13  13 38 o 76.13335 3.279255 287.6517       24.38018 314.8462       33.06374 255.2468       36.09256 79.27985 4.276550 70.94785 5.234086 8.332008       6.759033 
1 1 1 13  13 39 o 25.27612 6.577085 34.18036       16.42608 36.85941       21.93062 30.75674       24.79154 26.17782 7.900199 24.61917 8.485832 1.558659       11.59407 
1 1 1 13  13 40 o 20.69751 7.612057 19.44954       20.26235 20.09627       22.23370 16.28000       49.22049 21.27147 7.945626 25.89697 11.03765 -4.625494      13.60010 
1 1 1 13  13 41 o 61.24706 3.661005 187.9583       21.84768 185.1780       29.16911 191.5113       32.97416 60.19526 4.995518 60.90116 5.593925 -0.7059059     7.499814 
1 1 1 13  13 42 o 14.88136 6.527848 -2.060504      18.23360 -17.70000      29.31450 7.808181       23.28631 16.57265 7.665937 18.57941 7.735442 -2.006760      10.89053 
1 1 1 13  13 43 o 30.07604 7.013636 49.67157       20.26630 37.95000       32.76666 56.93373       25.79126 26.73562 9.703755 31.72175 8.235011 -4.986132      12.72707 
1 1 1 13  13 44 o 33.58862 6.646847 61.22618       21.07920 54.66000       33.61019 65.48347       27.06331 30.57989 9.866686 33.98069 8.225748 -3.400797      12.84579 
1 1 1 13  13 45 o 12.62812 5.993053 -21.12353      19.97742 -1.192000      30.06568 -36.88000      26.73193 18.81720 8.313353 13.61500 6.583472 5.202200       10.60443 
1 1 1 13  13 46 o 28.79630 7.389123 46.58517       20.92920 68.73000       36.71083 35.92162       25.47468 33.52073 10.24316 25.44389 8.605851 8.076834       13.37845 
1 1 1 13  13 47 o 26.27003 9.212248 38.94731       29.28082 30.80000       36.61535 53.40000       48.76748 25.20143 9.986082 30.04219 11.63574 -4.840759      15.33337 
1 1 1 13  13 48 o 54.10448 4.788918 151.5905       25.09998 134.2000       44.46921 159.7213       30.40662 46.85922 9.999974 54.90520 5.742644 -8.045979      11.53158 
1 1 1 13  13 49 o 16.99680 6.915111 9.072138       18.05445 -1.418538      26.34281 18.36495       24.79328 17.47702 7.748452 20.76379 8.220611 -3.286776      11.29677 
1 1 1 13  13 50 o 21.50704 7.333723 24.87140       18.50381 49.45370       27.61483 4.840480       24.92767 28.75639 8.901612 18.07372 7.781930 10.68267       11.82358 
1 1 1 13  13 51 o 24.82876 7.243492 35.00417       18.68791 56.18312       28.15074 18.31630       24.98837 30.52152 8.886213 20.71803 8.236672 9.803490       12.11642 
1 1 1 13  13 52 o 17.53351 7.070915 10.74816       18.68845 12.53826       28.80768 9.447344       24.55719 20.33510 8.544566 18.78598 7.891067 1.549124       11.63093 
1 1 1 13  13 53 o 18.24103 7.167574 13.68601       18.72133 8.507832       28.95010 17.40795       24.54403 19.60893 8.413795 20.35834 8.140055 -0.7494049     11.70694 
1 1 1 13  13 54 o 37.07068 6.221273 75.27943       21.77545 64.38841       32.55891 84.09338       29.29009 32.01819 9.617887 37.86996 8.143796 -5.851768      12.60259 
1 1 1 13  13 55 o 26.65595 7.995158 42.14573       22.51159 12.26836       32.57761 69.45000       31.14321 20.80501 8.926161 33.30906 9.232337 -12.50406      12.84182 
1 1 1 13  13 56 o 29.42750 9.093946 54.70437       28.83525 69.51578       34.17745 18.12000       53.71423 32.51560 9.872921 24.34919 10.91163 8.166409       14.71524 
1 1 1 13  14 0  o 169.6031 4.319448 1411.445       71.64974 1562.000       136.2862 1353.939       84.22926 177.9125 7.845279 166.0141 5.189740 11.89844       9.406476 
1 1 1 13  14 1  o 266.4495 7.490158 3497.629       195.1556 3284.000       266.9169 3743.000       286.0597 257.3188 10.62020 274.7282 10.65790 -17.40942      15.04592 
1 1 1 13  14 2  o 203.2545 6.056830 2031.447       120.3669 2033.000       173.3172 2030.000       167.2917 202.8150 8.751014 202.7321 8.448869 0.8291626E-01  12.16403 
1 1 1 13  14 3  o 192.7303 4.108268 1821.178       77.50239 1684.032       107.0288 1972.371       112.3766 185.0607 5.916139 200.3200 5.737104 -15.25926      8.241060 
1 1 1 13  14 4  o 225.4796 4.612557 2493.904       101.8017 2538.862       147.1249 2452.606       141.0086 227.1334 6.624653 223.2690 6.459039 3.864441       9.252308 
1 1 1 13  14 5  o 95.71301 3.746421 449.7183       35.03113 434.7523       45.33383 471.9000       55.19093 93.99677 4.944625 97.84751 5.788373 -3.850739      7.612791 
1 1 1 13  14 6  o 19.23443 7.461108 11.42444       20.07474 -57.83000      38.93014 36.51000       23.43009 16.81379 8.083454 27.10495 8.162700 -10.29117      11.48790 
1 1 1 13  14 7  o 106.5519 3.155053 556.7602       32.86967 499.4685       49.37413 602.3615       44.04966 100.7537 5.022307 110.7621 4.069904 -10.00838      6.464340 
1 1 1 13  14 8  o 88.34820 3.075103 382.8860       26.55223 401.9019       43.69659 371.7544       33.43245 90.35645 4.959649 86.98816 3.936668 3.368294       6.332099 
1 1 1 13  14 9  o 128.0980 3.723861 805.0789       46.64240 826.2000       88.58324 796.9770       54.86360 129.3642 7.022029 127.3879 4.406607 1.976227       8.290180 
1 1 1 13  14 10 o 38.17882 4.662906 72.58146       17.06435 3.546000       44.46541 84.50484       18.47931 25.10701 10.58643 41.23872 4.659496 -16.13171      11.56648 
1 1 1 13  14 11 f 233.1044 4.750432 2666.831       108.3901 2766.386       159.1116 2580.628       148.0582 236.9565 6.867289 228.9113 6.614770 8.045212       9.534927 
1 1 1 13  14 12 f 146.2253 3.518072 1048.112       50.35392 967.0172       72.10856 1125.292       70.34654 140.2199 5.263112 151.3407 4.754665 -11.12085      7.092756 
1 1 1 13  14 13 o 197.3300 4.867101 1911.658       94.00909 1884.666       116.5167 1962.000       159.1258 195.6672 6.091063 199.1863 8.178993 -3.519073      10.19789 
1 1 1 13  14 14 f 201.9689 4.940949 2003.073       97.67898 2017.938       122.3972 1977.000       162.0980 202.4329 6.184346 199.8756 8.303448 2.557327       10.35342 
1 1 1 13  14 15 o 63.90749 3.739476 200.9668       23.28987 206.9771       36.66124 196.9000       30.15696 64.61116 5.860552 63.12970 4.919116 1.481464       7.651390 
1 1 1 13  14 16 o 50.30066 3.392987 124.6070       16.60786 96.39000       43.67879 129.3758       17.95651 43.17570 10.44916 51.23851 3.603273 -8.062809      11.05298 
1 1 1 13  14 17 o 315.7283 6.145852 4908.220       189.9336 4882.000       377.0251 4917.137       219.8717 311.8031 12.37791 315.6918 7.115407 -3.888702      14.27732 
1 1 1 13  14 18 o 76.39318 3.062126 286.5256       22.85089 253.3000       49.82597 295.3752       25.71458 71.27078 7.242793 77.53797 3.396359 -6.267189      7.999581 
1 1 1 13  14 19 o 55.28831 3.318118 150.4435       17.87427 200.7000       41.33951 138.8877       19.82302 63.42086 6.763524 53.06139 3.842709 10.35946       7.778924 
1 1 1 13  14 20 o 126.0196 3.736740 780.0716       46.04234 0.000000       0.000000 780.0716       46.04234 ?        ?        126.0196 3.736740 ?              ?        
1 1 1 13  14 21 o 84.06841 3.477266 347.3901       28.55212 0.000000       0.000000 347.3901       28.55212 ?        ?        84.06841 3.477266 ?              ?        
1 1 1 13  14 22 o 215.1964 4.466246 2277.347       94.07706 2341.000       188.8006 2256.323       108.5073 216.4628 8.929918 214.0241 5.179523 2.438705       10.32332 
1 1 1 13  14 23 o 131.4261 3.277057 847.8303       42.15720 841.2000       82.29128 850.1895       49.08787 130.2047 6.477188 131.4855 3.818125 -1.280807      7.518779 
1 1 1 13  14 24 o 87.68114 3.484922 378.2376       29.84967 0.000000       0.000000 378.2376       29.84967 ?        ?        87.68114 3.484922 ?              ?        
1 1 1 13  14 25 o 25.47533 5.739333 33.37697       13.96709 42.05000       28.77391 30.70349       15.97540 28.99253 9.103913 24.44582 6.546089 4.546719       11.21305 
1 1 1 13  14 26 o 101.7781 3.049328 509.2845       30.34414 584.1000       60.95085 484.6310       34.98830 108.3902 5.765658 99.19085 3.609690 9.199326       6.802402 
1 1 1 13  14 27 f 57.03561 3.275023 160.4844       18.20694 137.6000       33.01136 170.4889       21.82690 52.12864 6.618655 58.71049 3.818856 -6.581848      7.641351 
1 1 1 13  14 28 o 122.5797 3.660633 740.9351       43.87269 716.2000       72.59383 755.1682       55.06714 119.6714 6.218640 123.4974 4.563266 -3.826004      7.713293 
1 1 1 13  14 29 o 64.94180 3.244657 208.1153       20.55993 244.3000       38.21506 193.3750       24.39071 69.82608 5.639207 62.45612 4.010929 7.369965       6.920130 
1 1 1 13  14 30 o 41.83408 4.692430 87.86912       18.88392 63.64000       29.29597 105.0926       24.70013 34.60033 8.668926 45.55719 5.660803 -10.95685      10.35350 
1 1 1 13  14 31 f 41.94012 4.718123 88.43708       19.03331 104.1000       30.13182 78.03838       24.55153 44.86624 7.096995 38.83854 6.700171 6.027699       9.760104 
1 1 1 13  14 32 o 50.43556 4.303913 127.0666       21.04461 152.2000       32.50788 108.9346       27.61121 54.68488 6.181402 46.12987 6.277750 8.555004       8.810215 
1 1 1 13  14 33 o 35.07501 6.052791 63.57806       20.02997 68.24094       22.54403 46.10000       43.64667 36.20364 6.604995 30.91993 11.20277 5.283707       13.00492 
1 1 1 13  14 34 o 46.38393 4.083122 107.5823       18.34911 97.68942       23.95867 121.6170       28.53666 43.72639 5.735911 48.73307 6.116768 -5.006676      8.385435 
1 1 1 13  14 35 o 62.82835 3.419780 195.8090       20.95172 169.8300       27.35680 232.6655       32.58448 58.09689 4.855027 68.03389 4.926416 -9.936996      6.916708 
1 1 1 13  14 36 o 110.9162 3.255526 608.8935       35.30628 624.8371       48.41072 590.7777       51.60329 111.8312 4.431318 108.5051 4.871132 3.326172       6.585174 
1 1 1 13  14 37 o 69.21977 3.378256 237.9380       22.81998 277.4398       31.50558 194.3423       33.09794 74.41552 4.344205 61.77703 5.532028 12.63848       7.033879 
1 1 1 13  14 38 o 43.79313 4.382674 96.93482       18.53460 90.09515       24.87624 105.4698       27.78869 41.50774 6.322178 44.88794 6.514707 -3.380203      9.078070 
1 1 1 13  14 39 o 48.15626 4.119023 116.8926       19.22945 125.4188       26.33379 107.1528       28.14562 49.33066 5.549862 45.10309 6.568054 4.227570       8.598855 
1 1 1 13  14 40 o 17.12948 6.704904 10.38764       16.32888 -14.67418      22.18560 40.01184       24.12060 14.46641 6.683645 26.98707 8.313422 -12.52066      10.66696 
1 1 1 13  14 41 o 30.45118 7.361241 51.04250       21.69659 47.28267       23.84978 69.09000       52.25267 29.10217 8.084184 34.00905 12.26629 -4.906881      14.69068 
1 1 1 13  14 42 f 25.48522 8.443775 35.27103       24.53955 0.000000       0.000000 35.27103       24.53955 ?        ?        25.48522 8.443775 ?              ?        
1 1 1 13  14 43 o 48.50784 4.167881 119.4625       19.59778 99.87507       26.01330 145.1717       29.80241 43.32181 6.320675 52.61593 5.887479 -9.294117      8.637901 
1 1 1 13  14 44 o 27.01354 7.935185 41.02710       22.36076 10.49000       32.01294 70.12000       31.24677 21.14866 8.953184 34.63229 9.100583 -13.48363      12.76637 
1 1 1 13  14 45 o 27.80791 7.463547 43.45323       20.73790 29.21000       33.14837 52.61273       26.58237 24.65459 9.580925 30.14128 8.592459 -5.486687      12.86952 
1 1 1 13  14 46 o 37.23176 8.452106 80.07030       30.09572 85.14000       37.55449 70.97000       50.31512 37.29115 10.05896 33.24107 12.03033 4.050083       15.68156 
1 1 1 13  14 47 f 29.69108 7.410600 50.09252       21.46773 67.98000       36.82823 40.88638       26.42074 32.94274 10.29307 26.59214 8.759418 6.350603       13.51572 
1 1 1 13  14 48 o 19.47890 8.127314 11.10423       25.78579 0.000000       0.000000 11.10423       25.78579 ?        ?        19.47890 8.127314 ?              ?        
1 1 1 13  14 49 o 40.53093 6.186997 88.90779       23.76892 66.65000       42.59568 98.97221       28.64302 32.12171 11.12072 42.12551 7.205308 -10.00380      13.25092 
1 1 1 13  14 50 o 25.55470 8.015459 37.62423       22.31104 -2.834000      39.14113 57.09677       27.15446 20.42394 9.219552 30.92093 8.639754 -10.49699      12.63509 
1 1 1 13  14 51 o 46.61223 4.771499 113.1693       21.46325 108.9065       30.96017 117.1137       29.78137 43.91023 7.470586 46.06477 6.809930 -2.154545      10.10865 
1 1 1 13  14 52 f 32.93280 6.433901 59.95044       19.99596 57.55370       30.24972 61.81049       26.64849 30.61543 9.286722 32.27273 8.367078 -1.657295      12.50005 
1 1 1 13  14 53 o 29.46077 7.121255 49.57686       20.30622 68.16059       31.11504 35.78984       26.80026 33.20486 9.237495 24.94897 8.808071 8.255896       12.76375 
1 1 1 13  14 54 o 18.92461 7.883474 11.30345       24.20527 -25.11000      42.53756 28.74000       29.43554 18.71487 8.841087 23.40023 9.046228 -4.685368      12.64907 
1 1 1 13  14 55 o 16.74162 7.129691 5.656146       20.50745 8.070225       32.51219 4.061055       26.42793 20.07320 8.763094 18.07012 7.894427 2.003084       11.79465 
1 1 1 13  14 56 o 40.81780 5.861855 91.14494       22.74917 89.40410       34.99942 92.41844       29.93526 37.28199 9.549493 39.38006 8.038369 -2.098072      12.48232 
1 1 1 13  15 0  o 98.23761 3.068121 473.2773       29.46618 478.9498       45.65163 469.2264       38.57858 98.68704 4.739816 97.74264 4.041045 0.9444046      6.228635 
1 1 1 13  15 1  o 136.3035 3.368264 910.4349       44.93856 873.7753       65.33798 943.3447       61.90625 133.3333 5.015285 138.5955 4.569550 -5.262161      6.784826 
1 1 1 13  15 2  o 94.38622 4.240209 437.7771       39.07435 365.7000       57.68219 498.9000       53.11844 85.93449 6.915893 100.6525 5.411456 -14.71803      8.781425 
1 1 1 13  15 3  o 94.15231 4.328757 435.6950       39.78659 506.9000       68.34834 399.2000       48.93159 101.2577 6.937867 89.98225 5.583040 11.27543       8.905298 
1 1 1 13  15 4  o 90.27847 4.363063 400.6882       38.44095 313.0000       57.67027 470.8000       51.56762 79.36465 7.513119 97.76631 5.409760 -18.40166      9.258103 
1 1 1 13  15 5  o 107.9770 3.200183 571.7955       33.78569 506.2148       50.93333 623.3250       45.14838 101.4149 5.147746 112.6692 4.100680 -11.25430      6.581403 
1 1 1 13  15 6  o 115.4088 3.676602 653.5703       41.47987 517.8000       75.25620 712.8167       49.71310 102.2354 7.574086 120.4827 4.221935 -18.24732      8.671304 
1 1 1 13  15 7  o 230.7822 4.711473 2613.651       106.4303 2612.120       152.6474 2615.098       148.4699 230.2863 6.779352 230.4584 6.588488 -0.1721191     9.453453 
1 1 1 13  15 8  o 107.5120 3.561345 567.2100       37.42633 523.2000       72.47726 583.2128       43.70422 102.8106 7.248538 108.9728 4.104650 -6.162186      8.330033 
1 1 1 13  15 9  o 111.4550 3.642298 609.6238       39.68236 464.2000       72.13982 672.7177       47.51725 96.73313 7.681968 117.0401 4.154316 -20.30701      8.733326 
1 1 1 13  15 10 o 257.6968 5.157117 3261.231       130.0835 3238.412       185.0877 3283.506       182.8642 256.2292 7.387481 258.0462 7.246951 -1.817017      10.34858 
1 1 1 13  15 11 o 76.01022 3.236940 283.6633       24.02799 256.8758       41.61492 297.0597       29.42914 72.03708 5.954982 77.73499 3.879983 -5.697906      7.107466 
1 1 1 13  15 12 o 56.76361 4.183024 158.9231       23.07837 112.6389       36.66243 189.3000       29.70135 47.08539 8.255628 61.89387 4.943615 -14.80848      9.622615 
1 1 1 13  15 13 o 22.09859 6.646186 24.24952       15.54039 -7.975430      33.76567 32.91000       17.50452 20.27285 8.888335 25.42488 6.871492 -5.152027      11.23476 
1 1 1 13  15 14 o 47.11071 3.999105 109.6588       18.26708 -16.32000      46.60731 132.5232       19.85568 23.13249 10.27833 51.82755 3.943580 -28.69506      11.00890 
1 1 1 13  15 15 o 114.3652 3.142812 641.6061       35.14848 564.4000       73.19178 664.7480       40.07143 106.7429 7.044527 116.3770 3.521775 -9.634102      7.875802 
1 1 1 13  15 16 o 134.3952 3.954336 887.0064       51.96261 813.5000       88.36147 925.8650       64.24567 128.2128 7.068205 137.2018 4.791207 -8.989029      8.539039 
1 1 1 13  15 17 f 139.1890 3.883787 951.4000       52.86176 0.000000       0.000000 951.4000       52.86176 ?        ?        139.1890 3.883787 ?              ?        
1 1 1 13  15 18 o 41.52925 3.774859 85.32869       15.17730 34.31000       40.26343 93.77867       16.38604 29.18185 10.73067 43.53998 3.885640 -14.35813      11.41251 
1 1 1 13  15 19 o 59.47013 3.191909 173.9463       18.51234 157.5000       44.14136 177.4563       20.39238 55.74726 8.345732 60.04084 3.484860 -4.293579      9.044086 
1 1 1 13  15 20 o 127.9739 3.260287 803.9404       40.80651 861.8000       85.16062 786.6961       46.49142 131.8964 6.617425 126.5304 3.757968 5.365997       7.610036 
1 1 1 13  15 21 o 98.84627 3.044456 479.7264       29.42105 495.5000       60.81197 474.9061       33.61727 99.95226 6.246936 98.29714 3.499522 1.655113       7.160368 
1 1 1 13  15 22 o 104.9014 3.559725 541.0664       36.49842 0.000000       0.000000 541.0664       36.49842 ?        ?        104.9014 3.559725 ?              ?        
1 1 1 13  15 23 o 114.2356 3.649317 641.9255       40.75320 0.000000       0.000000 641.9255       40.75320 ?        ?        114.2356 3.649317 ?              ?        
1 1 1 13  15 24 o 47.48134 4.668582 112.2192       21.41743 0.000000       0.000000 112.2192       21.41743 ?        ?        47.48134 4.668582 ?              ?        
1 1 1 13  15 25 o 94.75034 3.027240 441.4073       28.03988 405.4000       53.77143 454.8554       32.86155 90.14975 6.130164 96.11066 3.498933 -5.960915      7.058431 
1 1 1 13  15 26 o 75.60816 3.072383 281.4005       22.69053 320.2000       45.04158 268.2051       26.26710 80.09765 5.783924 73.72260 3.651395 6.375053       6.840063 
1 1 1 13  15 27 o 38.01424 4.345011 72.28551       15.87745 123.5000       31.72295 55.16812       18.33986 49.25384 6.758016 32.81107 5.928581 16.44277       8.989931 
1 1 1 13  15 28 o 90.51481 3.089097 403.5188       27.32880 402.2000       52.16959 404.0175       32.08308 89.59599 5.982994 90.46226 3.630660 -0.8662720     6.998422 
1 1 1 13  15 29 o 85.40628 3.472189 360.2150       28.96630 417.7000       51.06908 332.9496       35.17115 91.29263 5.744114 81.87948 4.404603 9.413155       7.238465 
1 1 1 13  15 30 o 82.09721 3.180005 332.6084       25.50588 301.2000       46.05833 346.5004       30.63153 77.24377 6.142246 83.66307 3.750023 -6.419296      7.196517 
1 1 1 13  15 31 o 37.02490 4.845082 69.33394       17.13817 67.49000       29.75763 70.24911       20.96406 35.50761 8.644241 36.96847 5.998897 -1.460857      10.52187 
1 1 1 13  15 32 o 46.10319 4.969236 107.2033       22.07094 70.18000       31.72152 141.9443       30.72822 36.04991 9.014173 52.77871 6.057696 -16.72880      10.86053 
1 1 1 13  15 33 o 16.24378 6.493626 7.209082       15.61636 -2.479144      20.59863 20.30357       23.94751 16.02742 6.986389 22.08748 8.247026 -6.060061      10.80847 
1 1 1 13  15 34 o 22.56481 6.902007 26.18703       16.66252 23.89833       21.86749 29.35550       25.72946 22.58508 7.957793 24.70222 8.637498 -2.117136      11.74448 
1 1 1 13  15 35 f 64.62787 3.538602 207.4983       22.29962 208.1236       29.66320 206.6858       33.81619 64.34863 4.742803 63.85353 5.462883 0.4950905      7.234450 
1 1 1 13  15 36 o 57.69173 3.745297 165.9374       21.03548 176.1532       28.17374 153.0686       31.62113 59.06501 4.917705 54.61288 6.014769 4.452126       7.769252 
1 1 1 13  15 37 o 38.63655 4.993277 76.31764       18.44268 69.24207       24.67224 85.27801       27.76454 35.96347 7.259237 39.96220 7.369421 -3.998734      10.34432 
1 1 1 13  15 38 o 46.56491 4.257357 109.4835       19.19015 92.57654       25.65024 130.9773       28.92118 41.95332 6.452662 50.25222 5.997971 -8.298904      8.809796 
1 1 1 13  15 39 o 19.32275 6.888433 17.57055       16.42643 24.84154       22.32816 8.992734       24.25184 22.51799 8.030716 19.18863 7.933171 3.329359       11.28838 
1 1 1 13  15 40 o 59.18726 3.719773 175.8020       21.44120 150.7833       28.10393 210.6445       33.16572 54.06347 5.382182 63.99779 5.343130 -9.934319      7.583991 
1 1 1 13  15 41 o 53.45465 6.124460 150.1605       31.46700 0.000000       0.000000 150.1605       31.46700 ?        ?        53.45465 6.124460 ?              ?        
1 1 1 13  15 42 o 22.91562 7.862105 27.40653       21.27337 25.96843       23.36416 34.38000       51.44942 22.77139 8.203685 28.08312 11.57717 -5.311731      14.18913 
1 1 1 13  15 43 o 20.05390 7.184093 19.52675       17.88904 23.23218       22.92697 13.76000       28.60174 21.94443 8.092544 20.98707 8.639853 0.9573555      11.83792 
1 1 1 13  15 44 o 12.68747 5.832416 -10.01485      16.59588 -10.21950      23.14057 -9.798113      23.81416 15.29904 6.977886 15.59996 7.101041 -0.3009157     9.955686 
1 1 1 13  15 45 o 32.69296 7.431360 59.97279       23.24003 63.92685       26.44239 46.55000       48.71927 33.38167 8.161890 29.14599 11.52852 4.235682       14.12527 
1 1 1 13  15 46 o 13.98135 6.222775 -3.665416      17.15706 -8.524310      24.88105 0.7395058      23.69022 16.04647 7.286283 17.10749 7.474104 -1.061016      10.43801 
1 1 1 13  15 47 o 26.22963 7.935252 39.49403       22.10645 25.30000       42.74114 44.67788       25.82970 24.89435 10.43064 27.61677 8.618804 -2.722420      13.53078 
1 1 1 13  15 48 o 37.82303 6.668926 78.85235       23.78790 73.55000       43.23709 81.15401       28.48679 33.45255 11.21116 37.49873 8.004774 -4.046181      13.77558 
1 1 1 13  15 49 o 65.15881 4.687410 219.6248       29.69617 266.1000       52.24236 197.4397       36.09463 68.51049 7.937063 60.59124 6.172000 7.919250       10.05438 
1 1 1 13  15 50 o 31.82070 7.683924 58.51911       23.66035 40.98000       44.05814 65.62731       28.04802 27.19848 10.89552 33.16057 8.577258 -5.962086      13.86657 
1 1 1 13  15 51 o 20.93487 8.399100 18.43657       26.22293 0.000000       0.000000 18.43657       26.22293 ?        ?        20.93487 8.399100 ?              ?        
1 1 1 13  15 52 o 41.94597 7.476432 100.1008       29.57083 0.000000       0.000000 100.1008       29.57083 ?        ?        41.94597 7.476432 ?              ?        
1 1 1 13  15 53 o 20.87052 8.721787 15.08000       29.76591 0.000000       0.000000 15.08000       29.76591 ?        ?        20.87052 8.721787 ?              ?        
1 1 1 13  15 54 f 16.78776 7.306190 2.665085       22.45182 56.00000       46.32165 -13.71230      25.66850 29.23277 11.33527 15.36264 7.129514 13.87013       13.39098 
1 1 1 13  15 55 o 58.96147 4.537139 181.3274       25.98401 183.8345       40.68525 179.6003       33.76785 56.47631 7.548631 57.28075 6.117236 -0.8044434     9.716090 
1 1 1 13  15 56 o 30.15136 7.373363 53.75591       21.57710 92.52271       35.54044 31.12577       27.15416 37.69764 9.605576 23.30502 8.765169 14.39261       13.00366 
1 1 1 13  16 0  o 136.2628 3.939842 911.1915       52.49356 959.8239       68.79224 843.4000       81.22021 139.7365 5.037726 130.8002 6.362889 8.936310       8.115728 
1 1 1 13  16 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  16 2  o 135.5604 3.397000 901.2091       45.03937 969.2485       69.20561 851.2172       59.32129 140.4197 5.043277 131.6298 4.611280 8.789932       6.833633 
1 1 1 13  16 3  o 217.6693 5.166557 2326.467       110.0790 2425.000       199.3183 2283.224       132.0430 221.2531 9.223701 215.3802 6.269978 5.872894       11.15299 
1 1 1 13  16 4  o 255.9907 5.124733 3217.677       128.4109 3223.493       183.8951 3212.144       179.3895 255.6772 7.355694 255.2697 7.186607 0.4074249      10.28366 
1 1 1 13  16 5  o 218.5845 4.531966 2344.438       96.96439 2202.116       134.3563 2499.142       140.0794 211.4594 6.498911 225.3114 6.357983 -13.85202      9.091743 
1 1 1 13  16 6  o 10.94345 5.332596 -33.62663      18.45453 -39.86836      32.55064 -30.67000      22.40299 16.13430 7.654963 13.04496 6.234262 3.089337       9.872410 
1 1 1 13  16 7  o 152.5759 4.102354 1142.633       61.21122 1125.000       112.0362 1150.136       73.08316 150.8601 7.611733 152.9839 4.886781 -2.123795      9.045391 
1 1 1 13  16 8  o 114.0819 3.672621 638.7462       40.95742 538.2000       76.52987 679.1038       48.48543 104.2072 7.554150 117.5827 4.219551 -13.37550      8.652733 
1 1 1 13  16 9  o 258.4068 5.178607 3279.808       130.9855 3333.473       189.2222 3230.434       181.5018 259.9101 7.445442 255.9120 7.253078 3.998138       10.39431 
1 1 1 13  16 10 o 190.3930 4.120516 1778.295       76.79074 1729.164       110.0497 1824.917       107.2032 187.4013 6.007192 192.5835 5.693243 -5.182175      8.276434 
1 1 1 13  16 11 o 156.0340 4.262864 1195.553       65.04588 1177.648       82.48373 1225.000       105.7796 154.6951 5.455896 157.5270 6.876831 -2.831909      8.778246 
1 1 1 13  16 12 o 119.0868 3.843731 696.3275       44.74594 670.8168       58.60070 732.0000       69.29608 116.7319 5.141306 121.8505 5.826872 -5.118561      7.770809 
1 1 1 13  16 13 o 178.4696 3.897599 1562.589       68.08752 1522.000       138.1796 1575.604       78.24596 175.2673 8.076176 179.1447 4.462228 -3.877365      9.226923 
1 1 1 13  16 14 f 48.85475 3.546410 117.6650       16.84360 14.35000       48.86838 131.5934       17.94310 27.69842 11.33594 51.67753 3.569156 -23.97911      11.88454 
1 1 1 13  16 15 o 43.17383 3.726371 92.11687       15.59357 37.28000       47.41875 98.76604       16.51192 31.08890 11.60553 44.70670 3.809533 -13.61780      12.21478 
1 1 1 13  16 16 o 59.07754 3.249162 171.6589       18.71649 68.56000       48.12535 190.0318       20.31585 37.18663 11.78658 62.15856 3.351483 -24.97194      12.25381 
1 1 1 13  16 17 o 52.23647 3.354327 134.3863       17.06020 62.63000       45.00645 146.4269       18.43606 35.64704 11.40956 54.52397 3.472458 -18.87693      11.92627 
1 1 1 13  16 18 o 60.09840 3.507444 177.8254       20.54321 0.000000       0.000000 177.8254       20.54321 ?        ?        60.09840 3.507444 ?              ?        
1 1 1 13  16 19 o 125.6905 3.251015 775.5792       39.96344 825.1000       84.52507 761.3224       45.35272 129.0034 6.717021 124.4685 3.726722 4.534897       7.681590 
1 1 1 13  16 20 o 115.3645 3.183217 653.5320       35.91116 586.5000       70.74855 676.7966       41.67964 108.6558 6.684453 117.3430 3.633157 -8.687195      7.608005 
1 1 1 13  16 21 o 145.0490 3.454041 1033.180       49.03979 1132.000       103.1376 1004.313       55.74434 150.8811 7.002641 142.8727 3.989979 8.008392       8.059586 
1 1 1 13  16 22 o 24.11340 5.916901 29.90324       13.85916 65.24000       37.03017 24.14714       14.94537 35.48671 10.14957 21.91283 6.500562 13.57388       12.05285 
1 1 1 13  16 23 o 27.96731 5.458274 39.98262       14.40558 88.18000       36.73532 31.22405       15.65988 41.03893 9.353783 24.62842 6.428458 16.41051       11.34982 
1 1 1 13  16 24 o 32.11581 4.736958 51.99321       14.44448 148.0000       36.94896 34.67395       15.69336 53.99910 7.167346 25.90692 6.259208 28.09218       9.515699 
1 1 1 13  16 25 o 79.10064 3.097173 307.9926       23.93379 379.6000       50.22202 286.9513       27.22404 87.20155 5.918960 76.25865 3.657845 10.94289       6.958011 
1 1 1 13  16 26 o 123.7937 3.268903 754.5208       39.57552 818.7000       80.22244 733.8779       45.49713 127.8786 6.429650 121.9552 3.816033 5.923378       7.476798 
1 1 1 13  16 27 o 76.15942 3.160154 285.8993       23.50680 237.8000       45.09084 303.8501       27.54615 68.53360 6.811766 78.43697 3.597425 -9.903374      7.703351 
1 1 1 13  16 28 o 52.06957 4.822289 135.6753       24.29862 0.000000       0.000000 135.6753       24.29862 ?        ?        52.06957 4.822289 ?              ?        
1 1 1 13  16 29 o 12.84815 5.740593 -5.757102      14.74905 27.69000       30.06888 -16.35405      16.92499 25.24440 9.274825 12.14748 5.687594 13.09692       10.87985 
1 1 1 13  16 30 o 108.8395 3.227346 584.6520       34.34457 581.5000       65.11298 585.8670       40.42540 107.3362 6.224179 108.7764 3.802611 -1.440216      7.293850 
1 1 1 13  16 31 o 53.73320 4.598344 144.6479       23.95298 104.7000       36.55886 174.6948       31.70629 44.27719 8.745786 58.78593 5.576881 -14.50873      10.37258 
1 1 1 13  16 32 f 70.08910 3.399888 243.3186       23.25540 249.9000       42.77069 240.5563       27.70925 70.03823 6.306321 69.50459 4.091004 0.5336456      7.517047 
1 1 1 13  16 33 o 53.29143 3.850212 141.5210       19.94850 123.0553       26.17562 167.1050       30.81054 49.19672 5.531416 57.40800 5.552248 -8.211281      7.837348 
1 1 1 13  16 34 f 27.06754 6.562401 38.75677       17.20442 45.07929       23.18169 31.00437       25.66953 28.99409 7.937612 25.06417 8.634972 3.929926       11.72896 
1 1 1 13  16 35 o 46.83593 4.295605 110.2452       19.47379 111.4793       26.50300 108.7970       28.70933 46.55486 5.951942 45.73390 6.604330 0.8209610      8.890601 
1 1 1 13  16 36 o 57.93248 4.545915 169.1153       25.57168 189.8000       42.38938 157.2810       32.06291 60.06553 7.363700 55.26073 6.025090 4.804794       9.514504 
1 1 1 13  16 37 o 21.99610 7.031924 25.00658       17.09950 -1.607492      23.15976 56.90142       25.35354 16.94889 7.397674 32.18589 8.064878 -15.23701      10.94385 
1 1 1 13  16 38 o 69.17514 3.449486 238.7362       23.28296 238.2159       31.33451 239.3775       34.79010 68.54752 4.698500 68.43306 5.233486 0.1144638      7.033155 
1 1 1 13  16 39 o 77.24308 3.398470 297.7779       25.63214 299.4972       34.71457 295.7169       38.00746 76.83070 4.637646 76.04001 5.136609 0.7906952      6.920442 
1 1 1 13  16 40 f 36.30009 7.622368 72.70242       26.21982 0.000000       0.000000 72.70242       26.21982 ?        ?        36.30009 7.622368 ?              ?        
1 1 1 13  16 41 o 44.51910 4.520319 101.3246       19.42518 96.43996       25.97439 107.5235       29.26106 42.52092 6.442313 44.67327 6.914903 -2.152355      9.450888 
1 1 1 13  16 42 o 26.91561 6.990258 39.93960       18.57843 51.56636       24.09715 22.90000       29.17198 30.21041 8.017094 22.94041 8.966990 7.269999       12.02833 
1 1 1 13  16 43 o 54.04644 5.045074 151.0200       26.38117 156.9427       29.54186 127.7000       58.61996 54.78043 5.587576 43.53940 12.86352 11.24104       14.02466 
1 1 1 13  16 44 o 41.73745 6.354527 93.70071       25.14241 102.9052       28.62530 62.63000       52.59283 43.39368 6.975705 31.91888 12.15432 11.47480       14.01385 
1 1 1 13  16 45 o 28.64880 6.847198 45.65432       18.93919 55.73917       26.57912 35.25232       26.99381 30.89534 8.515851 25.24407 8.845716 5.651268       12.27870 
1 1 1 13  16 46 o 37.88700 5.643490 76.56540       20.29108 61.87336       29.16787 90.34357       28.24616 32.14303 8.944416 40.06105 7.478259 -7.918015      11.65877 
1 1 1 13  16 47 o 41.58001 5.275195 91.25799       20.98731 119.7439       31.17231 67.63966       28.38430 46.46576 7.076942 33.77031 8.573121 12.69545       11.11672 
1 1 1 13  16 48 o 42.07681 5.227906 93.29151       21.06864 55.95289       30.36180 127.9690       29.25987 30.33346 9.324081 48.64244 6.292722 -18.30898      11.24886 
1 1 1 13  16 49 o 43.67902 5.124399 100.3709       21.49283 93.79558       30.86921 106.5576       29.94287 40.21347 8.122367 43.58052 7.275641 -3.367054      10.90449 
1 1 1 13  16 50 f 57.03302 5.076253 170.3551       28.04263 257.6000       52.54508 135.6096       33.15978 66.98032 8.184337 49.38116 7.061094 17.59916       10.80937 
1 1 1 13  16 51 f 13.56297 6.401376 -19.35079      22.20553 -24.19000      43.75224 -17.67179      25.77140 19.20263 9.039260 15.02194 7.028549 4.180693       11.45027 
1 1 1 13  16 52 o 40.59853 7.378623 93.74044       28.24214 133.3000       50.64854 75.89000       34.02245 44.24957 11.56646 34.68879 9.662837 9.560772       15.07161 
1 1 1 13  16 53 o 55.85751 5.200511 164.8936       28.10706 252.8000       58.42068 138.4172       32.06162 64.14569 9.599145 49.94080 6.729926 14.20490       11.72329 
1 1 1 13  16 54 o 48.29523 5.883178 126.6668       27.23818 206.7000       56.38434 102.3043       31.10887 56.31376 10.61842 41.76226 7.899443 14.55149       13.23450 
1 1 1 13  16 55 o 26.44647 8.745622 43.25811       26.32900 0.000000       0.000000 43.25811       26.32900 ?        ?        26.44647 8.745622 ?              ?        
1 1 1 13  17 0  o 125.6090 3.876049 774.4261       47.59883 746.8611       60.37454 819.7000       77.37476 123.2293 5.015824 128.9541 6.147666 -5.724876      7.934248 
1 1 1 13  17 1  o 83.62738 3.529816 343.4390       28.82896 286.2000       55.53180 364.5569       33.73042 75.81654 7.584640 86.12319 4.012275 -10.30665      8.580507 
1 1 1 13  17 2  f 105.2943 3.208064 543.8433       33.02532 509.6879       50.98831 568.5278       43.34645 101.7458 5.136354 107.5812 4.123972 -5.835449      6.587054 
1 1 1 13  17 3  o 67.37795 3.413001 223.0938       22.43591 185.2047       38.11530 243.1823       27.75345 61.00939 6.481657 70.29798 4.050518 -9.288589      7.643205 
1 1 1 13  17 4  o 103.3239 4.590168 524.9818       46.30736 427.9000       68.54302 606.5000       62.80901 92.84289 7.609079 110.9223 5.805120 -18.07938      9.570659 
1 1 1 13  17 5  o 142.8725 4.012734 1001.969       56.06154 907.8000       101.0435 1043.850       67.38435 135.4498 7.652336 145.7477 4.729625 -10.29787      8.995976 
1 1 1 13  17 6  o 88.74720 4.668642 387.6778       40.41301 441.2000       70.15819 361.1000       49.43908 94.26290 7.670039 85.48589 5.945448 8.777016       9.704528 
1 1 1 13  17 7  o 81.33412 3.612389 324.9884       28.68723 230.2000       61.39921 351.4592       32.44653 67.50879 9.558758 84.55963 3.930872 -17.05084      10.33545 
1 1 1 13  17 8  o 126.9662 3.394001 790.8226       42.14216 743.2173       63.73272 827.8082       56.17600 122.8689 5.311799 129.7974 4.428076 -6.928528      6.915422 
1 1 1 13  17 9  o 104.8685 3.282685 539.6138       33.65465 487.1321       52.77547 575.5825       43.69094 99.40112 5.444982 108.2313 4.131718 -8.830154      6.835124 
1 1 1 13  17 10 o 167.0763 4.458379 1371.306       72.84667 1324.347       91.01715 1455.000       121.5089 163.9967 5.678553 171.5819 7.251212 -7.585236      9.210105 
1 1 1 13  17 11 o 57.18454 4.654533 161.6494       25.82808 118.8000       55.12835 173.7000       29.23518 47.80797 11.84251 59.23591 5.091483 -11.42794      12.89062 
1 1 1 13  17 12 o 185.8486 4.019828 1694.926       73.12621 1583.000       145.2538 1732.924       84.63373 178.6400 8.329901 187.8426 4.603022 -9.202621      9.517093 
1 1 1 13  17 13 o 80.51727 3.081717 318.2661       24.24296 255.7000       59.58423 330.6782       26.53893 71.31194 8.717176 82.05545 3.311026 -10.74352      9.324809 
1 1 1 13  17 14 o 153.0131 4.069872 1150.137       60.90175 0.000000       0.000000 1150.137       60.90175 ?        ?        153.0131 4.069872 ?              ?        
1 1 1 13  17 15 o 113.3969 3.159064 631.0359       35.03018 646.3000       77.22182 627.0811       39.30720 114.1774 6.942422 112.9996 3.558202 1.177811       7.801155 
1 1 1 13  17 16 o 72.56731 3.065306 258.6844       21.72410 202.0000       53.85978 269.6981       23.74095 63.12539 8.968863 74.07899 3.282286 -10.95360      9.550597 
1 1 1 13  17 17 o 125.4347 3.716032 773.0732       45.57474 704.7000       82.38033 803.2286       54.70942 119.1256 7.097176 127.7629 4.381211 -8.637329      8.340558 
1 1 1 13  17 18 o 126.6587 4.907154 790.8763       60.72231 769.8000       84.94589 812.9000       86.83385 124.4898 6.999310 127.9481 6.959649 -3.458298      9.870514 
1 1 1 13  17 19 o 54.84945 3.363564 148.2339       17.97151 121.9000       45.90649 153.0002       19.53029 48.42051 10.01654 55.70063 3.601444 -7.280117      10.64431 
1 1 1 13  17 20 o 133.1560 3.343406 871.1656       43.54242 866.8000       89.55358 872.5172       49.82891 131.9668 6.957435 133.1788 3.826403 -1.211960      7.940230 
1 1 1 13  17 21 o 63.17485 3.252911 196.5149       20.04739 160.8000       47.55291 204.2345       22.10806 55.94214 8.988645 64.37402 3.522017 -8.431885      9.654032 
1 1 1 13  17 22 o 95.11742 3.082191 444.7907       28.65841 403.1000       59.69448 457.2776       32.66950 89.73975 6.847548 96.38739 3.468364 -6.647636      7.675836 
1 1 1 13  17 23 o 65.19872 3.233600 209.4404       20.57189 250.8000       47.96087 200.1153       22.77321 70.54541 7.039524 63.66513 3.669955 6.880280       7.938732 
1 1 1 13  17 24 o 113.9586 3.184940 638.9949       35.49184 708.5000       74.92007 618.8832       40.30093 119.0344 6.454269 112.0490 3.679511 6.985352       7.429427 
1 1 1 13  17 25 o 68.23516 3.720598 230.1288       24.75603 0.000000       0.000000 230.1288       24.75603 ?        ?        68.23516 3.720598 ?              ?        
1 1 1 13  17 26 o 100.8677 3.631574 502.1943       35.79679 0.000000       0.000000 502.1943       35.79679 ?        ?        100.8677 3.631574 ?              ?        
1 1 1 13  17 27 o 112.2568 3.654747 622.4558       40.10488 622.2000       70.69923 622.5771       48.69825 111.1265 6.528423 112.0203 4.450157 -0.8938522     7.900899 
1 1 1 13  17 28 o 27.62305 6.219058 39.77060       16.40886 21.40000       35.26500 44.84700       18.53790 25.00011 9.833109 29.28520 6.622784 -4.285095      11.85543 
1 1 1 13  17 29 o 72.70429 3.924744 262.3374       27.82689 284.0000       47.06934 250.6983       34.50187 74.78033 6.494844 70.75806 5.013979 4.022270       8.205059 
1 1 1 13  17 30 o 41.91188 5.612128 89.53411       22.44537 79.95000       37.81343 94.74805       27.89029 38.24017 9.993215 42.72446 6.904522 -4.484283      12.14647 
1 1 1 13  17 31 o 20.51421 7.074831 19.84381       17.23328 10.84000       34.38454 22.86423       19.91515 22.73150 9.426443 21.96357 7.603990 0.7679329      12.11109 
1 1 1 13  17 32 f 70.81290 3.467697 248.6049       23.96277 250.1000       45.97532 248.0473       28.07823 69.77125 6.818914 70.55920 4.082900 -0.7879486     7.947809 
1 1 1 13  17 33 o 75.64823 3.340755 283.5928       24.67614 271.4746       33.37319 298.2087       36.65137 73.58102 4.657577 77.04121 4.885440 -3.460182      6.749856 
1 1 1 13  17 34 o 105.3252 3.275920 549.3790       33.73211 540.5236       45.71323 559.9648       49.98072 103.9307 4.504269 105.6037 4.848166 -1.673004      6.617640 
1 1 1 13  17 35 o 74.14537 3.413616 273.1487       24.70802 270.0399       33.44887 276.8823       36.65576 73.23765 4.690616 73.98059 5.093031 -0.7429428     6.923933 
1 1 1 13  17 36 o 45.23255 4.494390 103.5942       19.63590 90.25601       27.41786 117.6390       28.13473 41.20304 7.051630 47.55748 6.190701 -6.354431      9.383511 
1 1 1 13  17 37 o 30.24561 6.383076 48.86087       18.30255 52.68542       26.10538 45.16353       25.66759 30.78021 8.421973 28.60416 8.527287 2.176043       11.98517 
1 1 1 13  17 38 o 54.06745 4.041898 147.4176       21.23602 132.5267       29.14754 164.2643       31.00278 50.34770 6.034561 56.29637 5.704854 -5.948669      8.304294 
1 1 1 13  17 39 o 53.39681 6.041348 149.2927       31.02187 0.000000       0.000000 149.2927       31.02187 ?        ?        53.39681 6.041348 ?              ?        
1 1 1 13  17 40 o 38.76025 5.020954 77.78469       18.60213 48.22298       24.86605 115.3544       28.03243 29.22279 8.303782 46.65886 6.298626 -17.43607      10.42236 
1 1 1 13  17 41 o 22.24749 7.419265 26.04726       18.93883 16.99131       24.75854 38.82000       29.40357 20.81602 8.223161 26.61256 9.238142 -5.796535      12.36785 
1 1 1 13  17 42 o 22.05048 7.139514 25.94671       17.58855 23.31874       24.64039 28.67675       25.11431 22.20453 8.349960 23.60862 8.505383 -1.404081      11.91903 
1 1 1 13  17 43 o 21.35552 8.150371 20.80074       23.68346 18.04470       26.71183 30.93000       51.20934 21.31417 8.502050 27.18608 11.40581 -5.871920      14.22594 
1 1 1 13  17 44 f 16.29008 7.260766 -4.001358      23.44480 -14.69789      26.22839 38.52000       52.29424 15.71868 7.263956 28.17770 11.64942 -12.45902      13.72858 
1 1 1 13  17 45 o 16.21563 6.791465 5.521842       18.10825 1.161785       27.20080 8.992204       24.26738 18.17670 7.973225 18.75247 7.858555 -0.5757713     11.19505 
1 1 1 13  17 46 o 20.72188 7.361892 22.14989       18.74700 19.95063       28.28703 23.87246       25.03445 21.72903 8.721445 22.06167 8.389247 -0.3326454     12.10137 
1 1 1 13  17 47 o 38.57157 5.657111 79.56319       20.72387 75.04139       29.97738 83.70249       28.68150 35.50519 8.695969 38.10960 7.946591 -2.604412      11.77999 
1 1 1 13  17 48 o 76.44997 3.710086 296.2556       27.68018 269.0495       38.27257 326.0942       40.08142 71.37416 5.521127 78.91160 5.218444 -7.537437      7.597039 
1 1 1 13  17 49 o 14.89616 6.603940 -2.328850      19.13340 -20.35456      29.20647 11.22333       25.32430 15.82451 7.429060 19.28580 8.051069 -3.461288      10.95494 
1 1 1 13  17 50 o 48.06808 4.961532 121.0489       23.00913 125.5576       33.22101 116.8919       31.89889 47.14810 7.445356 45.48679 7.420026 1.661316       10.51143 
1 1 1 13  17 51 o 19.15954 7.656099 14.83010       21.69903 39.77562       31.54198 -7.583000      29.89810 26.04290 9.510416 17.46350 7.952137 8.579395       12.39696 
1 1 1 13  17 52 o 42.99262 5.513154 98.80695       22.66736 99.39094       34.10211 98.34472       30.33972 40.60994 8.831263 41.25447 7.799027 -0.6445313     11.78202 
1 1 1 13  17 53 f 33.87802 8.630906 70.05006       28.69711 71.78284       33.49705 65.27000       55.63550 33.44236 9.680765 30.56243 12.24347 2.879927       15.60832 
1 1 1 13  17 54 o 28.85069 7.390750 49.00588       20.96245 34.32874       32.70383 59.24128       27.31054 24.50038 9.517731 30.85917 8.679703 -6.358788      12.88117 
1 1 1 13  17 55 o 29.42383 7.239695 51.03025       20.70619 39.85690       33.30305 58.07155       26.43741 25.43366 9.674936 30.47669 8.528302 -5.043037      12.89714 
1 1 1 13  18 0  o 61.25593 4.807452 185.3669       28.59420 177.6603       39.67098 193.7000       41.25195 59.65583 6.922174 62.33209 6.875333 -2.676266      9.756368 
1 1 1 13  18 1  o 115.0597 3.320767 649.4780       37.36057 619.6877       56.67400 672.3736       49.68484 112.1931 5.174670 116.9733 4.346977 -4.780136      6.758211 
1 1 1 13  18 2  o 239.8337 4.880144 2824.731       114.5642 2853.087       165.2023 2798.460       159.0116 240.4958 7.025351 238.2328 6.826042 2.263016       9.795427 
1 1 1 13  18 3  o 123.0690 3.353726 743.0182       40.36245 744.7256       62.24665 741.7795       53.01944 123.0097 5.181363 122.8600 4.415962 0.1496964      6.807880 
1 1 1 13  18 4  o 180.2737 4.585122 1596.448       80.84198 1423.000       138.1736 1686.725       99.68445 169.4513 8.356328 185.1537 5.506450 -15.70232      10.00746 
1 1 1 13  18 5  o 199.2302 4.894166 1949.557       95.44211 1760.000       161.9081 2050.505       118.1535 188.3495 8.806467 204.0703 5.921342 -15.72073      10.61208 
1 1 1 13  18 6  o 76.12927 5.094397 286.0271       37.74365 221.7000       63.42392 321.3000       46.96523 66.06561 10.13045 80.58503 5.997090 -14.51942      11.77247 
1 1 1 13  18 7  o 95.67552 3.280472 449.2778       30.67613 375.7155       48.96984 496.7884       39.35468 87.20345 5.769490 100.5453 4.006811 -13.34188      7.024354 
1 1 1 13  18 8  o 67.16098 4.116966 222.1837       26.93448 223.1544       41.89838 221.5000       35.16297 66.99357 6.469768 66.90007 5.416006 0.9349823E-01  8.437477 
1 1 1 13  18 9  o 113.1485 3.932267 628.9265       43.48478 588.2063       57.71366 682.4000       66.13688 109.2333 5.414687 117.6209 5.762044 -8.387665      7.906958 
1 1 1 13  18 10 o 62.07627 4.242348 190.0394       25.62240 116.1000       57.02266 208.7448       28.68087 47.23847 12.23555 65.03989 4.533501 -17.80143      13.04842 
1 1 1 13  18 11 o 112.5193 3.236545 621.2743       35.60930 461.3000       76.32967 665.7767       40.25875 96.18752 8.184821 116.4535 3.535941 -20.26598      8.915951 
1 1 1 13  18 12 o 42.62140 3.965316 89.92999       16.35314 31.44000       48.96636 97.27254       17.34925 30.34556 11.68440 44.33216 4.042545 -13.98660      12.36396 
1 1 1 13  18 13 o 99.87942 3.117524 489.6384       30.44107 422.2000       68.80670 506.0505       33.94370 92.03420 7.708680 101.5118 3.421035 -9.477562      8.433696 
1 1 1 13  18 14 o 73.50443 3.137792 265.4439       22.52390 205.4000       56.87835 276.6110       24.52916 63.55228 9.428912 75.01778 3.348949 -11.46549      10.00599 
1 1 1 13  18 15 o 73.23936 3.049692 263.5136       21.81501 224.9000       55.38554 270.6041       23.73354 66.70276 8.689294 74.19862 3.275913 -7.495865      9.286304 
1 1 1 13  18 16 o 91.08250 3.064651 407.3831       27.28370 418.5000       63.54691 404.8707       30.20984 91.65034 7.139897 90.76505 3.406394 0.8852844      7.910857 
1 1 1 13  18 17 o 76.12251 3.109264 284.7777       23.11862 164.1000       53.37572 312.6449       25.64941 56.39161 10.03791 79.74663 3.293019 -23.35501      10.56426 
1 1 1 13  18 18 o 156.7212 4.156692 1208.826       63.70861 1082.000       109.0916 1274.466       78.48215 147.2978 7.592008 160.7252 4.994684 -13.42746      9.087654 
1 1 1 13  18 19 o 57.47772 3.341582 162.7889       18.71894 89.17000       48.87825 175.4421       20.26384 41.23033 11.61701 59.65984 3.485209 -18.42951      12.12854 
1 1 1 13  18 20 f 130.7168 3.981485 841.5813       50.88341 773.2000       86.83085 877.3451       62.79526 124.4046 7.160943 133.2727 4.821650 -8.868095      8.632926 
1 1 1 13  18 21 o 99.60022 3.135438 487.8048       30.52977 471.3000       66.25018 492.2548       34.40009 96.98382 7.026461 99.99284 3.520161 -3.009018      7.858923 
1 1 1 13  18 22 o 81.60768 3.139168 327.7833       25.02887 310.0000       56.78960 332.0703       27.88297 78.32469 7.498837 82.08814 3.478065 -3.763451      8.266166 
1 1 1 13  18 23 o 87.01987 3.134931 372.7863       26.65891 500.0000       62.78357 344.8047       29.44521 99.91061 6.454435 83.60567 3.606578 16.30495       7.393723 
1 1 1 13  18 24 o 38.21359 4.414266 73.11461       16.20817 146.3000       44.23170 61.76330       17.41985 52.98962 8.838959 34.90335 5.262251 18.08627       10.28681 
1 1 1 13  18 25 o 89.22561 3.555324 393.0176       30.98878 361.8000       58.74364 405.0547       36.47717 84.48650 7.171105 90.44852 4.131061 -5.962029      8.275894 
1 1 1 13  18 26 o 100.5853 3.604158 499.8201       35.42761 517.2000       66.52623 492.9402       41.85645 101.1537 6.757765 99.69336 4.299442 1.460335       8.009531 
1 1 1 13  18 27 o 50.62670 4.380184 128.0022       21.49260 0.000000       0.000000 128.0022       21.49260 ?        ?        50.62670 4.380184 ?              ?        
1 1 1 13  18 28 o 72.82532 3.996801 263.3716       28.38134 257.8000       50.25067 265.9813       34.39199 70.84857 7.352902 72.94092 4.844490 -2.092346      8.805353 
1 1 1 13  18 29 o 45.90525 5.250181 106.6564       23.16699 99.53000       42.00681 109.7714       27.77246 42.59503 10.20847 46.25545 6.297404 -3.660419      11.99459 
1 1 1 13  18 30 o 64.87596 3.592557 208.8471       22.72451 164.7000       45.11922 223.8521       26.30441 55.80387 8.530699 67.05755 4.026051 -11.25368      9.433022 
1 1 1 13  18 31 o 72.61076 3.475600 261.3867       24.63056 304.9000       50.57682 247.8586       28.20059 77.11181 6.769391 70.52389 4.102940 6.587921       7.915729 
1 1 1 13  18 32 o 71.96760 3.522319 257.0751       24.73721 243.4000       48.90412 261.7772       28.67641 68.40990 7.422104 72.45947 4.059414 -4.049561      8.459697 
1 1 1 13  18 33 o 56.88424 3.795969 161.3762       21.01496 167.9421       29.07864 154.1977       30.40498 57.56802 5.217021 54.94656 5.737710 2.621468       7.754909 
1 1 1 13  18 34 o 16.98193 6.754361 8.718360       16.81087 5.633571       23.18122 12.14027       24.41505 18.39708 7.693132 20.12037 8.093276 -1.723293      11.16626 
1 1 1 13  18 35 o 14.43940 6.273381 -1.266904      16.49362 -7.321794      23.93352 4.209542       22.76160 16.30599 7.297183 17.91120 7.564420 -1.605207      10.51044 
1 1 1 13  18 36 o 23.82774 7.142864 30.29366       17.97165 54.63362       26.00648 8.046125       24.86352 31.37602 8.329690 19.23779 7.999986 12.13823       11.54918 
1 1 1 13  18 37 o 19.89456 7.256040 18.22234       18.35228 20.93814       27.43874 16.02395       24.68690 22.42870 8.716577 20.75807 8.207810 1.670628       11.97276 
1 1 1 13  18 38 o 65.23650 4.216147 215.0726       26.77815 209.9000       42.50964 218.4755       34.47902 62.72525 7.045367 65.06692 5.464055 -2.341671      8.915890 
1 1 1 13  18 39 o 28.38186 6.704807 43.97353       18.32822 40.96408       25.26194 47.31834       26.63236 27.08576 8.533710 28.87902 8.703912 -1.793266      12.18943 
1 1 1 13  18 40 o 32.98593 6.425732 58.76524       20.00093 56.89437       25.99465 61.48000       31.31322 31.61281 8.297436 32.41183 9.353094 -0.7990208     12.50311 
1 1 1 13  18 41 o 31.94135 6.188715 54.94630       18.65015 56.48774       26.07886 53.33273       26.68209 31.42381 8.340762 30.45318 8.584084 0.9706364      11.96891 
1 1 1 13  18 42 o 14.64584 6.751491 -12.96584      22.45744 -17.04134      25.17630 2.905000       49.68222 15.10404 7.026962 23.58761 10.53771 -8.483570      12.66576 
1 1 1 13  18 43 o 15.65437 6.672482 2.906673       17.98912 -9.915677      25.89005 14.87547       25.01350 16.22850 7.393708 20.22379 8.171667 -3.995287      11.02012 
1 1 1 13  18 44 o 59.92538 3.954748 182.4401       23.06754 183.6777       32.49424 181.1827       32.75214 58.99472 5.697957 58.51894 5.793880 0.4757729      8.126239 
1 1 1 13  18 45 o 30.24873 8.226126 53.61136       24.99414 58.49376       28.31455 36.38000       53.19283 31.25780 8.853785 27.48253 11.58295 3.775261       14.57924 
1 1 1 13  18 46 o 19.20850 7.216928 17.30033       18.39821 28.67654       27.23399 7.749688       24.95334 23.39788 8.782721 18.58727 7.888237 4.810608       11.80510 
1 1 1 13  18 47 o 32.05677 6.620741 57.08590       20.08647 33.25322       28.57387 80.36844       28.24215 24.59660 9.040560 37.27925 7.980524 -12.68265      12.05904 
1 1 1 13  18 48 o 40.67362 5.486813 88.12386       21.28773 90.61900       30.59204 85.78139       29.64128 39.41249 8.197347 38.35477 8.147115 1.057716       11.55733 
1 1 1 13  18 49 o 18.65784 7.355045 14.32931       19.76937 -0.5458635E-01 28.58846 27.51100       27.36768 18.19446 8.068960 23.05460 8.770379 -4.860132      11.91754 
1 1 1 13  18 50 o 64.91836 4.372116 217.1010       27.62010 203.8584       35.50419 237.4000       43.95728 61.60617 5.962181 65.49417 6.963426 -3.888004      9.167164 
1 1 1 13  18 51 o 15.58512 6.804955 0.7835944      19.61292 16.21558       29.17461 -11.94155      26.49265 20.91302 8.678597 15.89088 7.328156 5.022143       11.35869 
1 1 1 13  18 52 o 19.94479 8.279191 14.18467       26.56188 14.50352       30.52380 13.19000       53.91146 20.77133 8.765412 24.17056 10.87344 -3.399227      13.96653 
1 1 1 13  18 53 o 15.94910 6.888547 3.153949       19.65131 25.06877       30.04074 -13.23845      25.98142 22.48872 9.000916 15.44786 7.170359 7.040866       11.50785 
1 1 1 13  18 54 o 17.00942 7.064120 8.965260       19.35066 35.03164       30.30567 -8.977324      25.14352 24.40349 9.241756 15.65701 7.190692 8.746474       11.70966 
1 1 1 13  19 0  o 81.17063 3.367551 323.5940       26.69777 229.1375       42.62878 384.5531       34.24574 67.89316 6.493655 88.44312 3.965906 -20.54996      7.608940 
1 1 1 13  19 1  o 187.0150 5.634783 1721.941       103.0301 0.000000       0.000000 1721.941       103.0301 ?        ?        187.0150 5.634783 ?              ?        
1 1 1 13  19 2  o 306.0236 8.533878 4640.780       255.3779 4722.000       368.8531 4566.000       353.9269 306.6536 12.31355 301.7256 12.00780 4.927979       17.19915 
1 1 1 13  19 3  o 253.1001 5.887450 3152.935       145.8565 2975.000       247.7922 3247.271       180.4246 244.1950 10.39054 256.4038 7.196060 -12.20877      12.63909 
1 1 1 13  19 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  19 5  o 101.6828 4.091629 508.2510       40.64079 438.4891       52.30816 614.5000       64.55396 94.23039 5.697787 111.5710 5.932386 -17.34057      8.225448 
1 1 1 13  19 6  o 29.21005 8.044652 43.51597       23.73022 57.53438       37.98149 34.54000       30.39228 33.94606 10.42758 27.48628 9.398252 6.459776       14.03786 
1 1 1 13  19 7  o 110.4192 3.971930 599.1001       42.85921 525.2285       55.40206 709.2000       67.63646 103.1810 5.505477 119.8966 5.780284 -16.71555      7.982604 
1 1 1 13  19 8  o 125.5455 4.048098 774.4395       49.68100 627.7000       87.21344 844.9307       60.44737 112.3424 7.983112 131.0501 4.720020 -18.70769      9.274086 
1 1 1 13  19 9  o 148.1749 3.547719 1077.065       51.45528 865.4000       99.73810 1153.833       60.06596 132.0189 7.752368 153.2634 4.007343 -21.24448      8.726855 
1 1 1 13  19 10 o 221.0458 4.576553 2401.083       99.02094 2117.000       187.1213 2511.577       116.6999 206.0539 9.301593 225.9236 5.277188 -19.86969      10.69431 
1 1 1 13  19 11 o 55.83076 3.483294 153.5182       18.94091 109.0000       52.16409 160.2790       20.32833 45.70688 11.63225 57.03330 3.660719 -11.32642      12.19468 
1 1 1 13  19 12 o 140.1641 3.425187 963.8995       46.99237 929.0000       99.42336 973.9387       53.32464 136.7735 7.454614 140.7907 3.873117 -4.017166      8.400733 
1 1 1 13  19 13 o 86.97063 3.125142 371.4751       26.56085 269.7000       61.59948 394.7188       29.43804 73.10647 8.783991 89.62984 3.361400 -16.52337      9.405185 
1 1 1 13  19 14 o 120.9705 3.225402 718.4964       38.15767 721.1000       84.23519 717.8242       42.80088 120.4350 7.178098 120.8635 3.621943 -0.4284973     8.040122 
1 1 1 13  19 15 o 146.4637 3.502462 1053.201       50.21226 860.2000       97.03403 1123.782       58.67968 131.3953 7.576761 151.1726 3.969029 -19.77730      8.553391 
1 1 1 13  19 16 o 11.58704 5.080075 -2.698653      11.02951 -69.11000      46.10239 1.333199       11.35938 18.11006 8.729439 12.84649 5.379608 5.263577       10.25394 
1 1 1 13  19 17 o 32.23565 4.557108 52.17263       13.97857 23.52000       45.62868 55.14031       14.68465 28.13672 11.14813 33.13943 4.655189 -5.002708      12.08104 
1 1 1 13  19 18 o 107.2406 3.164790 565.2136       33.18447 463.6000       70.39382 594.2472       37.62783 96.14412 7.540358 109.9118 3.501976 -13.76771      8.313894 
1 1 1 13  19 19 o 77.98770 3.132729 299.2166       23.86550 200.4000       56.41952 320.7509       26.33785 62.30839 9.555110 80.72157 3.340597 -18.41318      10.12224 
1 1 1 13  19 20 o 105.8211 3.144239 550.7271       32.53211 512.0000       70.87169 561.0656       36.61787 100.9792 7.217851 106.7472 3.509305 -5.767975      8.025746 
1 1 1 13  19 21 o 124.1448 3.343130 758.5775       40.58752 673.1000       82.68268 785.7136       46.58670 115.6779 7.340124 126.2498 3.774096 -10.57183      8.253558 
1 1 1 13  19 22 o 29.14525 5.390430 43.45407       14.81164 48.85000       44.65586 42.78707       15.70043 32.17922 11.36893 28.84340 5.762815 3.335823       12.74608 
1 1 1 13  19 23 o 196.9725 4.240898 1917.024       81.76541 1854.000       161.7583 1938.654       94.76323 190.6622 8.690390 197.7690 4.895256 -7.106827      9.974287 
1 1 1 13  19 24 o 46.86360 4.231142 109.4627       19.19999 116.9000       47.29060 107.9948       21.00947 46.52978 10.61836 46.45125 4.684673 0.7852936E-01  11.60585 
1 1 1 13  19 25 o 86.10255 3.535454 366.3710       29.73327 521.2000       65.57848 326.3064       33.35917 101.5616 6.632981 81.08188 4.217750 20.47968       7.860397 
1 1 1 13  19 26 o 100.8535 3.222283 501.9212       31.76897 541.5000       70.13053 491.7024       35.63494 103.2285 6.981739 99.70254 3.657635 3.526009       7.881813 
1 1 1 13  19 27 o 92.23383 3.850211 421.6704       34.68366 391.4000       62.40378 435.2008       41.72120 87.40177 7.362714 93.46368 4.574344 -6.061913      8.667997 
1 1 1 13  19 28 o 38.53319 5.934808 76.29637       21.66704 200.3000       46.34396 41.60965       24.51081 62.06165 7.800854 28.09992 8.322036 33.96173       11.40656 
1 1 1 13  19 29 o 50.80439 4.166954 129.0122       20.53980 120.0000       46.16770 131.2362       22.93457 46.64327 10.37960 51.11887 4.633850 -4.475601      11.36700 
1 1 1 13  19 30 o 51.54519 4.188402 132.9063       20.95016 145.8000       46.68506 129.6550       23.44323 51.85531 9.549450 50.74271 4.776120 1.112595       10.67723 
1 1 1 13  19 31 o 63.92754 3.736359 203.3532       23.27799 160.4000       48.43448 216.2547       26.54470 54.37330 9.442855 65.80900 4.141852 -11.43570      10.31128 
1 1 1 13  19 32 o 54.51022 4.037539 148.6209       21.38980 158.2000       44.69505 145.7753       24.36062 54.25835 8.710302 53.78766 4.673339 0.4706879      9.884810 
1 1 1 13  19 33 o 53.99736 4.058162 146.0872       21.29212 149.7507       30.27071 142.4998       29.95497 54.03100 5.815095 52.65211 5.914433 1.378891       8.294326 
1 1 1 13  19 34 o 44.70633 4.628140 101.3831       19.96009 117.1654       29.25682 87.64104       27.30030 47.34549 6.483194 40.56834 7.135409 6.777157       9.640843 
1 1 1 13  19 35 o 18.32395 7.084493 12.65971       18.05451 11.16766       27.34386 13.81297       24.03990 20.52782 8.448940 20.21911 8.065500 0.3087063      11.68062 
1 1 1 13  19 36 o 44.14009 4.832924 99.79306       20.53997 64.43997       29.36378 133.6648       28.74201 33.72186 8.803119 50.63964 5.909515 -16.91777      10.60270 
1 1 1 13  19 37 o 74.23064 3.545919 275.7099       25.68979 252.7281       34.91657 302.8329       37.93221 70.23691 5.113821 76.94572 5.064526 -6.708809      7.197263 
1 1 1 13  19 38 o 16.14100 6.736335 4.948448       17.72134 12.14941       25.03753 -2.280460      25.08607 19.89648 8.125075 17.27255 7.613909 2.623932       11.13501 
1 1 1 13  19 39 o 43.18792 5.197750 96.83779       21.53155 78.56425       26.74467 130.5000       36.29921 37.69993 7.511423 48.57660 7.905820 -10.87666      10.90520 
1 1 1 13  19 40 o 50.98731 4.159746 132.0790       20.58012 108.7313       27.57863 161.4191       30.91579 45.09824 6.429346 55.50201 5.775049 -10.40376      8.642203 
1 1 1 13  19 41 o 33.31445 7.258168 61.76260       22.99734 72.73656       25.72495 18.09000       51.31892 36.07270 7.529314 25.57771 11.08946 10.49499       13.40398 
1 1 1 13  19 42 o 37.25514 5.470554 73.33009       19.35530 55.26261       27.31858 91.54099       27.42679 30.73067 8.694016 40.73766 7.138205 -10.00700      11.24899 
1 1 1 13  19 43 o 19.28046 7.139712 17.49865       17.87828 1.886029       25.78800 31.94705       24.80788 17.92696 7.815681 24.19407 8.479833 -6.267105      11.53223 
1 1 1 13  19 44 f 31.99771 6.183940 55.94655       18.66734 78.83002       28.06087 37.77974       25.00228 36.97552 7.986996 25.64791 8.523847 11.32761       11.68110 
1 1 1 13  19 45 o 20.97863 7.229938 23.40461       17.99609 55.89255       26.85913 -3.061066      24.24222 30.60373 8.607606 16.54063 7.377122 14.06310       11.33635 
1 1 1 13  19 46 o 24.15979 8.394963 32.67284       24.28398 26.04115       26.80476 63.04000       57.35904 22.74364 8.673090 31.15942 12.44886 -8.415787      15.17224 
1 1 1 13  19 47 o 12.80266 5.978076 -13.83694      18.48902 -20.00981      26.30069 -7.805892      25.99681 14.93302 7.022863 16.35115 7.433748 -1.418131      10.22650 
1 1 1 13  19 48 o 37.64925 5.814989 76.54837       20.73985 84.72936       29.38158 68.42393       29.27984 38.05481 8.134486 33.62754 8.796428 4.427265       11.98111 
1 1 1 13  19 49 o 67.50099 4.334506 234.4591       28.48751 184.8857       35.17209 329.0000       48.57177 58.39716 6.250289 77.81146 6.434738 -19.41431      8.970616 
1 1 1 13  19 50 o 43.05000 5.324955 98.60187       21.96068 67.93024       30.77213 130.4366       31.35014 33.08674 9.179620 48.45653 6.796272 -15.36979      11.42168 
1 1 1 13  19 51 o 15.99439 7.270609 -7.182010      24.85826 -1.494115      28.24093 -26.75000      52.38130 17.78656 7.945563 20.53967 9.735050 -2.753109      12.56595 
1 1 1 13  19 52 o 69.18338 3.898859 245.0948       26.29568 188.8002       35.73413 311.5816       38.83445 58.62175 6.327707 76.74139 5.200610 -18.11964      8.190618 
1 1 1 13  19 53 o 57.92782 5.292207 179.4109       29.67643 208.0498       34.49757 97.89000       58.20303 61.93981 5.755862 34.66959 12.87405 27.27022       14.10217 
1 1 1 13  20 0  o 139.3761 4.690766 955.4782       63.90268 0.000000       0.000000 955.4782       63.90268 ?        ?        139.3761 4.690766 ?              ?        
1 1 1 13  20 1  o 107.4583 3.795485 567.2831       39.85941 395.6000       75.93726 632.5740       46.82928 88.87205 8.846752 113.4316 4.225098 -24.55957      9.803901 
1 1 1 13  20 2  o 327.7913 9.097692 5340.280       291.6182 5155.000       405.8713 5538.000       419.2760 319.5134 13.00474 331.2242 12.95718 -11.71082      18.35787 
1 1 1 13  20 3  o 99.92128 4.844718 491.8625       47.24290 372.6000       74.63314 571.6000       61.02547 86.18008 8.978989 107.5866 5.816542 -21.40648      10.69834 
1 1 1 13  20 4  o 169.0838 4.488291 1405.406       74.21730 1344.465       91.31632 1524.000       127.3869 165.1591 5.656937 175.4135 7.436045 -10.25441      9.343217 
1 1 1 13  20 5  o 212.4142 4.459465 2216.571       92.71978 2125.686       130.4773 2309.285       131.7836 207.4951 6.431996 216.3362 6.229862 -8.841156      8.954427 
1 1 1 13  20 6  o 99.49698 4.922443 487.9672       47.79103 548.1000       74.18152 445.3000       62.48666 105.0439 7.259352 94.72600 6.784175 10.31794       9.935956 
1 1 1 13  20 7  o 90.90152 5.050254 407.7038       44.75898 399.2000       66.36362 414.8000       60.62273 89.47704 7.650599 91.38958 6.826237 -1.912544      10.25325 
1 1 1 13  20 8  o 59.89198 3.545346 176.6215       20.69122 90.68000       53.34996 191.8376       22.44832 41.95703 12.23818 62.41208 3.691073 -20.45505      12.78268 
1 1 1 13  20 9  o 64.52084 3.292488 204.7407       20.72489 196.6000       54.76811 206.1013       22.38986 62.16620 9.284619 64.70998 3.548455 -2.543785      9.939602 
1 1 1 13  20 10 o 28.52056 7.506846 41.76364       21.23837 -42.40000      49.67313 60.59149       23.49415 21.29943 9.896044 34.35852 7.215847 -13.05909      12.24745 
1 1 1 13  20 11 o 25.00931 5.896394 32.09167       14.19745 -16.83000      47.04059 36.99460       14.89190 23.08763 10.28804 26.87591 5.828963 -3.788275      11.82458 
1 1 1 13  20 12 o 69.47298 3.776045 237.7449       25.58136 148.5000       54.52195 262.9375       28.96784 53.41899 10.79900 73.03530 4.068146 -19.61631      11.53986 
1 1 1 13  20 13 o 61.94026 3.243051 188.8056       19.59375 127.7000       51.02747 199.3734       21.22052 49.40474 10.84946 63.63570 3.419376 -14.23096      11.37554 
1 1 1 13  20 14 o 92.64037 3.059752 421.6101       27.70745 349.8000       62.74259 439.0068       30.88180 83.48105 7.767477 94.50031 3.343861 -11.01926      8.456659 
1 1 1 13  20 15 o 31.52690 4.495710 49.91428       13.48094 48.73000       47.10049 50.01995       14.06954 32.85176 11.66930 31.52414 4.703323 1.327627       12.58148 
1 1 1 13  20 16 o 26.77795 5.056194 36.53057       12.76714 3.920000       47.62846 39.05519       13.25212 25.65881 10.89404 27.70714 5.073284 -2.048332      12.01741 
1 1 1 13  20 17 o 124.4030 3.697355 761.8432       44.97239 0.000000       0.000000 761.8432       44.97239 ?        ?        124.4030 3.697355 ?              ?        
1 1 1 13  20 18 o 90.59655 3.891536 404.8342       34.42905 0.000000       0.000000 404.8342       34.42905 ?        ?        90.59655 3.891536 ?              ?        
1 1 1 13  20 19 o 108.0360 3.185826 574.2445       33.65287 477.1000       70.74105 602.6598       38.25941 97.28977 7.485970 110.6118 3.538259 -13.32204      8.280038 
1 1 1 13  20 20 o 57.85111 3.428760 165.2715       19.32870 91.94000       50.82162 177.6723       20.89921 41.40310 11.90574 59.96650 3.576785 -18.56340      12.43141 
1 1 1 13  20 21 f 63.90851 3.339391 201.5805       20.81722 233.0000       55.55906 196.4491       22.45288 67.22945 8.642538 63.03514 3.654680 4.194302       9.383505 
1 1 1 13  20 22 o 80.79285 3.186028 321.7565       25.14644 396.2000       62.84048 307.5630       27.43914 88.38873 7.329178 78.91734 3.561331 9.471390       8.148616 
1 1 1 13  20 23 o 43.24646 4.841882 93.94629       20.14466 0.000000       0.000000 93.94629       20.14466 ?        ?        43.24646 4.841882 ?              ?        
1 1 1 13  20 24 o 50.57537 4.194301 127.5061       20.57713 137.5000       50.80602 125.5451       22.50562 50.31092 10.64925 50.07965 4.644074 0.2312698      11.61783 
1 1 1 13  20 25 o 78.33916 3.275318 303.1766       25.05991 387.8000       62.37925 286.8908       27.36527 87.05356 7.390398 76.10771 3.684317 10.94585       8.257855 
1 1 1 13  20 26 o 44.88035 5.122989 101.7731       22.10275 82.39000       46.75875 107.3503       25.08186 38.63429 11.50737 45.94306 5.699578 -7.308769      12.84152 
1 1 1 13  20 27 o 48.50530 4.065712 117.4884       19.12587 70.70000       45.62612 127.4626       21.06605 36.00693 11.48390 50.47662 4.304740 -14.46969      12.26420 
1 1 1 13  20 28 o 58.69357 3.631682 171.1624       20.76214 274.8000       50.62344 150.2048       22.76482 73.01034 7.176353 54.80590 4.277418 18.20443       8.354420 
1 1 1 13  20 29 o 63.76517 3.675783 202.0854       22.84521 167.3000       49.29741 211.5988       25.78056 55.69648 9.375171 65.14452 4.063273 -9.448044      10.21783 
1 1 1 13  20 30 o 123.8238 3.427876 759.5351       41.50661 662.9000       79.89105 795.2627       48.57722 113.3282 7.239873 126.4669 3.928952 -13.13868      8.237258 
1 1 1 13  20 31 o 28.45631 6.853298 43.11639       18.86021 53.04000       42.49788 40.68258       21.04629 31.73797 11.10063 27.56374 7.570084 4.174231       13.43615 
1 1 1 13  20 32 o 59.77486 4.566561 179.9296       26.51636 176.3000       48.32301 181.4934       31.71818 57.00240 8.955705 59.66666 5.492472 -2.664261      10.50580 
1 1 1 13  20 33 o 17.70262 6.948653 10.67179       17.57915 -0.3132335     27.01476 18.73951       23.15135 18.47109 8.026806 21.24362 8.070054 -2.772535      11.38224 
1 1 1 13  20 34 o 19.85835 7.227872 17.94192       18.19665 -12.01075      27.87247 40.19143       24.02249 16.94412 7.700948 27.15355 8.283774 -10.20943      11.31042 
1 1 1 13  20 35 o 22.28929 7.892253 24.57382       21.52970 12.32000       43.01936 28.66857       24.86807 24.08066 10.29279 23.86005 8.478775 0.2206059      13.33533 
1 1 1 13  20 36 o 18.51858 7.028937 14.22650       17.55416 7.580294       25.84727 19.91651       23.91575 19.28156 8.097241 21.44220 8.188585 -2.160641      11.51600 
1 1 1 13  20 37 o 18.98483 6.999114 16.31358       17.14786 11.98603       24.40858 20.53096       24.09590 19.70289 8.031301 21.55270 8.222148 -1.849808      11.49372 
1 1 1 13  20 38 o 40.70409 5.337033 86.40854       20.75221 81.21761       26.56264 94.54000       33.24549 38.44973 7.325234 40.77289 8.601179 -2.323162      11.29776 
1 1 1 13  20 39 o 27.80421 6.661110 42.39240       17.89046 41.50486       24.17633 43.46670       26.59864 27.12541 8.317007 27.66856 8.761661 -0.5431499     12.08053 
1 1 1 13  20 40 o 22.13807 7.898885 25.03196       21.60357 19.30248       23.91824 50.41000       50.33853 21.04839 8.149753 29.96684 11.75973 -8.918451      14.30768 
1 1 1 13  20 41 o 15.39170 6.565338 2.607068       17.43863 28.80580       24.64328 -23.67122      24.68067 23.44103 8.427752 14.12424 6.690831 9.316795       10.76077 
1 1 1 13  20 42 o 64.58764 3.716081 210.7830       23.39395 188.1069       31.70263 237.8924       34.66335 59.92128 5.465243 67.57334 5.282653 -7.652058      7.601007 
1 1 1 13  20 43 o 27.78401 6.913414 43.38377       18.72559 52.76520       26.90547 34.57060       26.07787 29.81491 8.689437 24.84524 8.695195 4.969675       12.29279 
1 1 1 13  20 44 o 18.77390 7.079148 16.21564       17.73763 31.50754       25.99572 2.893909       24.26338 23.97548 8.651284 17.53323 7.613266 6.442245       11.52417 
1 1 1 13  20 45 o 47.04884 4.682897 115.0258       21.27996 90.59361       28.79762 144.4144       31.58380 39.83714 7.663400 51.54699 6.396917 -11.70985      9.982397 
1 1 1 13  20 46 f 28.14281 7.052975 45.08155       19.38810 43.24874       26.59686 47.15987       28.32223 26.96894 8.783059 27.95741 9.060391 -0.9884682     12.61875 
1 1 1 13  20 47 o 14.29402 6.798422 -24.79541      25.98612 -24.79541      25.98612 0.000000       0.000000 14.29402 6.798422 ?        ?        ?              ?        
1 1 1 13  20 48 o 48.94810 5.068173 126.0128       23.93160 103.4493       30.22918 163.9000       39.17137 42.60609 7.523517 53.66575 7.675345 -11.05967      10.74776 
1 1 1 13  20 49 o 20.10072 7.423434 20.34902       19.30446 12.08846       27.10135 28.85709       27.50436 19.74123 8.290879 23.25516 8.804863 -3.513927      12.09398 
1 1 1 13  20 50 o 26.93898 8.442448 43.44948       24.75671 47.01890       27.74186 29.49000       54.86195 27.75960 8.964673 26.14377 11.39882 1.615828       14.50167 
1 1 1 13  20 51 o 21.17442 7.440392 24.46018       19.10698 8.282670       26.79193 41.20393       27.25678 18.87110 8.095598 26.08448 8.900710 -7.213383      12.03168 
1 1 1 13  20 52 o 25.19167 7.421830 37.38547       19.53689 5.759220       28.09509 66.99809       27.18599 18.63983 8.141548 33.07819 8.386285 -14.43835      11.68822 
1 1 1 13  20 53 o 36.57980 5.907913 73.85120       20.43284 74.61089       29.87539 73.18353       28.00775 34.45002 8.822122 34.50399 8.377789 -0.5397415E-01 12.16623 
1 1 1 13  21 0  o 127.3809 3.804417 797.1948       47.38182 885.6000       95.90064 768.6454       54.49813 133.5764 7.363241 124.9860 4.461813 8.590363       8.609593 
1 1 1 13  21 1  o 78.28782 4.854639 302.5665       37.01820 282.5000       61.96928 313.7000       46.15907 74.93355 8.604737 79.54816 5.971763 -4.614616      10.47394 
1 1 1 13  21 2  o 77.00042 3.923239 291.8584       29.47205 299.7266       42.10459 284.3000       41.26755 77.81069 5.564943 75.76532 5.604249 2.045372       7.897860 
1 1 1 13  21 3  f 31.07562 5.581461 48.99923       16.35356 45.88547       31.10977 50.18821       19.22395 30.39351 9.454655 31.31693 6.484921 -0.9234161     11.46493 
1 1 1 13  21 4  o 47.87253 4.755718 113.8026       21.99045 241.3000       56.07443 90.63054       23.90540 69.19668 8.454271 42.47579 5.909559 26.72089       10.31492 
1 1 1 13  21 5  o 124.5651 4.750643 764.2623       57.81737 708.5000       86.76507 808.8000       77.54227 119.3640 7.463528 127.8635 6.214243 -8.499496      9.711904 
1 1 1 13  21 6  o 116.0913 4.628849 663.8223       52.49371 594.2000       79.22888 718.3000       70.08404 109.2585 7.452988 120.5211 5.959347 -11.26267      9.542581 
1 1 1 13  21 7  o 137.6930 3.431826 930.4478       46.25337 806.7000       94.01495 969.9650       53.12772 127.3195 7.578182 140.4821 3.867296 -13.16251      8.507927 
1 1 1 13  21 8  o 136.2050 3.999940 912.2485       53.26991 814.4000       94.17397 958.2874       64.59758 127.9014 7.555943 139.4713 4.738668 -11.56989      8.918926 
1 1 1 13  21 9  o 107.7431 3.196459 570.1042       33.67320 562.5000       76.01770 571.9606       37.55911 106.2391 7.355525 107.8737 3.561964 -1.634567      8.172597 
1 1 1 13  21 10 o 205.6174 4.335870 2079.539       87.26545 1934.000       171.3674 2130.492       101.3971 196.5192 8.932104 207.9554 4.981375 -11.43616      10.22725 
1 1 1 13  21 11 o 101.4492 3.483221 506.0226       34.53753 0.000000       0.000000 506.0226       34.53753 ?        ?        101.4492 3.483221 ?              ?        
1 1 1 13  21 12 o 110.2266 3.194181 596.9519       34.42659 437.2000       71.97737 644.3387       39.20140 93.31315 7.956192 114.4773 3.502573 -21.16415      8.693043 
1 1 1 13  21 13 o 45.58643 3.601670 102.7539       15.94062 32.64000       48.23073 111.3521       16.88976 30.14001 11.59864 47.45858 3.664179 -17.31857      12.16366 
1 1 1 13  21 14 o 41.54063 3.738051 85.53257       15.03695 61.63000       47.64815 88.17639       15.84675 35.36110 11.76751 42.16212 3.883427 -6.801022      12.39175 
1 1 1 13  21 15 o 80.65051 3.032878 319.8678       23.89978 283.9000       59.39854 326.8157       26.10627 74.81116 8.248282 81.49021 3.279603 -6.679047      8.876371 
1 1 1 13  21 16 o 90.94402 3.093158 406.7911       27.49476 290.8000       61.47333 435.7970       30.74093 75.58627 8.453382 94.09577 3.342961 -18.50950      9.090383 
1 1 1 13  21 17 o 54.23476 3.332863 145.1875       17.60754 95.61000       49.96111 152.2184       18.81469 42.27442 11.68445 55.51646 3.479837 -13.24205      12.19162 
1 1 1 13  21 18 o 27.56938 5.072807 38.79783       13.18503 1.463000       45.85661 42.16254       13.76635 24.68926 10.59141 28.76851 5.074107 -4.079245      11.74413 
1 1 1 13  21 19 o 31.93218 4.709252 51.50827       14.27799 4.082000       46.53239 56.43758       15.00165 25.14553 10.72515 33.45382 4.711631 -8.308296      11.71445 
1 1 1 13  21 20 o 57.53093 3.373319 163.5392       18.91277 167.4000       53.91978 162.9975       20.19589 56.18762 10.17862 57.39521 3.613188 -1.207592      10.80090 
1 1 1 13  21 21 o 56.96743 3.586423 160.6545       19.89687 76.38000       51.87869 175.1885       21.54438 37.95666 12.25930 59.47326 3.719510 -21.51660      12.81114 
1 1 1 13  21 22 o 20.72945 6.547662 21.40338       14.86302 143.2000       51.22483 10.20688       15.53116 51.49245 10.51906 17.13781 6.585252 34.35464       12.41032 
1 1 1 13  21 23 o 76.10895 3.329165 286.2323       24.74146 217.3000       58.81094 301.0558       27.27227 63.98370 9.693639 78.00046 3.581612 -14.01675      10.33415 
1 1 1 13  21 24 o 70.04996 3.409357 242.7805       23.30667 218.9000       58.90668 247.2127       25.37749 64.12109 9.687286 70.62445 3.683759 -6.503365      10.36405 
1 1 1 13  21 25 o 94.34146 3.785493 441.1827       34.88579 543.7000       69.93456 407.2220       40.25142 103.2444 6.960895 90.37042 4.565178 12.87398       8.324356 
1 1 1 13  21 26 o 90.38309 3.274702 403.9302       28.92322 396.0000       62.58485 406.0839       32.61509 87.70939 7.357571 90.50001 3.689566 -2.790619      8.230842 
1 1 1 13  21 27 f 46.35084 4.223251 107.6537       18.95045 33.95000       46.68752 122.1920       20.73541 28.99761 11.34123 49.37524 4.334330 -20.37763      12.14125 
1 1 1 13  21 28 o 64.09084 4.062799 204.8875       25.35633 0.000000       0.000000 204.8875       25.35633 ?        ?        64.09084 4.062799 ?              ?        
1 1 1 13  21 29 o 90.16608 3.368888 402.9245       29.68052 319.2000       59.22666 431.0020       34.29810 78.07635 7.856519 93.11314 3.770963 -15.03678      8.714646 
1 1 1 13  21 30 o 36.46655 5.526629 68.52527       19.10951 129.5000       45.04109 55.14023       21.10298 48.34640 9.852569 32.21312 6.900541 16.13328       12.02874 
1 1 1 13  21 31 o 69.02306 3.639940 237.3302       24.50512 172.6000       49.86476 257.9404       28.13717 56.06351 9.420479 71.82987 4.017940 -15.76636      10.24155 
1 1 1 13  21 32 o 64.52457 4.402424 209.6380       27.63846 194.4000       49.06070 216.7224       33.45184 59.84226 8.624311 65.21365 5.285802 -5.371395      10.11526 
1 1 1 13  21 33 o 51.20522 4.205934 132.2937       20.89495 145.1113       30.94015 121.5462       28.33167 52.80845 6.097525 48.26257 6.135812 4.545879       8.650317 
1 1 1 13  21 34 o 39.12090 7.363132 83.17141       27.16097 0.000000       0.000000 83.17141       27.16097 ?        ?        39.12090 7.363132 ?              ?        
1 1 1 13  21 35 o 51.81915 4.051027 135.6583       20.38443 125.5672       28.04885 146.9540       29.67577 48.95941 5.976662 53.10518 5.803342 -4.145775      8.330623 
1 1 1 13  21 36 o 21.81229 7.107884 25.04372       17.41752 18.07175       23.88018 32.96856       25.45981 20.91791 8.131083 24.89153 8.598573 -3.973619      11.83427 
1 1 1 13  21 37 o 39.12295 5.385311 80.02241       20.07630 71.74861       25.68711 93.01000       32.18305 35.96467 7.538280 40.55901 8.383724 -4.594337      11.27442 
1 1 1 13  21 38 o 43.57698 5.101678 98.55194       21.34944 88.88000       31.89278 106.4052       28.73835 39.46818 8.506389 44.35419 6.838993 -4.886013      10.91469 
1 1 1 13  21 39 o 21.89673 8.357959 22.11742       24.90723 16.50000       28.61858 39.66000       50.57388 21.40370 8.706919 28.36581 11.56126 -6.962103      14.47319 
1 1 1 13  21 40 f 21.37137 7.564942 23.37630       19.77970 10.91000       30.67591 32.24770       25.87765 20.76028 8.775322 24.44766 8.652928 -3.687382      12.32394 
1 1 1 13  21 41 o 23.14009 7.424212 29.43227       19.04789 28.92000       30.52747 29.75885       24.37484 24.09130 9.238724 23.60564 8.393665 0.4856586      12.48229 
1 1 1 13  21 42 o 24.92496 7.544840 35.19777       19.98072 54.82000       31.79065 22.38528       25.68869 30.02021 9.587127 21.84230 8.449019 8.177906       12.77885 
1 1 1 13  21 43 o 15.26289 6.664358 0.8400994E-01  18.81146 -22.50000      29.74674 15.13460       24.28374 15.80891 7.445331 19.90886 8.049011 -4.099944      10.96447 
1 1 1 13  21 44 o 18.65776 7.337968 14.35802       19.63746 -5.275000      30.63134 28.05764       25.58743 18.04131 8.148879 23.02691 8.538781 -4.985592      11.80318 
1 1 1 13  21 45 o 15.83597 6.869388 1.613438       19.71291 -17.33000      30.20862 15.66294       26.01548 16.45288 7.668839 20.31030 8.286716 -3.857420      11.29074 
1 1 1 13  21 46 o 36.52154 8.414164 79.14396       29.46005 0.000000       0.000000 79.14396       29.46005 ?        ?        36.52154 8.414164 ?              ?        
1 1 1 13  21 47 o 18.74267 8.356357 -0.3585000     31.07730 0.000000       0.000000 -0.3585000     31.07730 ?        ?        18.74267 8.356357 ?              ?        
1 1 1 13  21 48 o 32.35355 12.66606 74.99000       58.27924 0.000000       0.000000 74.99000       58.27924 ?        ?        32.35355 12.66606 ?              ?        
1 1 1 13  21 49 o 31.14619 12.37376 68.09000       56.35641 0.000000       0.000000 68.09000       56.35641 ?        ?        31.14619 12.37376 ?              ?        
1 1 1 13  21 50 o 25.65399 8.937590 39.47058       27.53401 0.000000       0.000000 39.47058       27.53401 ?        ?        25.65399 8.937590 ?              ?        
1 1 1 13  21 51 o 40.62207 7.792433 97.00269       29.85750 0.000000       0.000000 97.00269       29.85750 ?        ?        40.62207 7.792433 ?              ?        
1 1 1 13  21 52 o 29.58531 7.555234 52.32864       21.95341 68.94000       37.34011 43.55345       27.13946 31.54107 10.41442 26.34761 8.882643 5.193460       13.68801 
1 1 1 13  22 0  o 117.9394 4.610837 685.3243       53.12602 828.5000       91.16465 611.7000       65.37357 129.0888 7.243982 111.1451 6.031651 17.94376       9.426352 
1 1 1 13  22 1  o 161.4736 4.266960 1282.676       67.38228 1354.000       127.4011 1254.975       79.39610 164.8840 7.916975 159.5456 5.090544 5.338425       9.412340 
1 1 1 13  22 2  o 120.5831 3.290039 714.0594       38.79607 600.6000       82.73075 746.0438       43.92532 109.7015 7.754538 123.2086 3.646245 -13.50705      8.569013 
1 1 1 13  22 3  o 105.2787 4.662224 546.4636       47.92494 535.2000       76.95395 553.6000       61.25364 103.5448 7.646656 105.7243 5.942960 -2.179512      9.684530 
1 1 1 13  22 4  o 72.56240 3.993137 259.5170       28.25235 272.8000       60.72418 255.8474       31.91722 73.49374 8.603882 71.96961 4.554101 1.524132       9.734815 
1 1 1 13  22 5  o 78.06101 3.172785 299.5052       24.19219 326.6000       61.90840 294.6220       26.28195 80.65261 7.945015 77.38743 3.478504 3.265182       8.673135 
1 1 1 13  22 6  o 112.7802 3.202694 624.7413       35.31951 624.3000       80.18939 624.8475       39.34109 111.8888 7.362822 112.7410 3.569488 -0.8521957     8.182445 
1 1 1 13  22 7  f 121.6318 4.616284 729.4480       54.86012 747.6000       86.22001 717.1000       71.11227 122.4891 7.223318 120.2750 6.059887 2.214104       9.428603 
1 1 1 13  22 8  f 89.89213 3.118064 397.0813       27.39396 302.4000       63.03790 419.1241       30.41607 77.36243 8.462531 92.32533 3.371366 -14.96289      9.109365 
1 1 1 13  22 9  o 140.6628 3.453908 971.9114       47.55500 813.8000       95.31495 1024.314       54.87252 127.5828 7.667815 144.2828 3.888931 -16.70007      8.597626 
1 1 1 13  22 10 o 109.9357 3.151582 593.8691       33.87857 551.2000       74.70608 604.9160       38.01197 104.9843 7.315620 110.9020 3.506073 -5.917664      8.112388 
1 1 1 13  22 11 o 50.95670 3.575574 128.2504       17.72099 6.429000       49.55176 146.1158       18.97597 26.44870 11.16507 54.40530 3.583283 -27.95660      11.72599 
1 1 1 13  22 12 o 89.93707 3.041495 397.6454       26.73664 365.1000       64.08496 404.5042       29.41933 85.11340 7.778103 90.67167 3.320389 -5.558273      8.457179 
1 1 1 13  22 13 o 11.63269 5.148649 -3.767808      11.58290 -3.647000      45.71022 -3.776098      11.97370 24.10322 10.45798 11.85251 5.240895 12.25070       11.69770 
1 1 1 13  22 14 o 57.23629 3.238767 161.5353       18.07098 103.4000       52.04674 169.5043       19.26978 43.94110 11.83712 58.61742 3.372727 -14.67632      12.30823 
1 1 1 13  22 15 o 61.60059 3.162814 187.0246       19.00677 158.2000       53.06128 191.2676       20.35764 54.80487 10.26850 62.27057 3.352295 -7.465702      10.80185 
1 1 1 13  22 16 o 83.42845 3.075052 342.6347       25.06854 225.1000       59.10007 368.4213       27.68224 65.86147 9.436786 86.48167 3.276098 -20.62020      9.989282 
1 1 1 13  22 17 o 90.30826 3.103902 401.5763       27.39653 335.2000       64.54791 416.1612       30.25712 80.98505 8.258188 91.88618 3.369825 -10.90114      8.919271 
1 1 1 13  22 18 o 54.82539 3.595368 148.7684       19.18793 0.000000       0.000000 148.7684       19.18793 ?        ?        54.82539 3.595368 ?              ?        
1 1 1 13  22 19 o 76.33377 4.097387 288.7754       30.50250 230.5000       60.50919 308.6290       35.31826 66.29200 9.604572 78.79589 4.599192 -12.50389      10.64896 
1 1 1 13  22 20 o 128.9313 4.508763 825.0344       56.81370 0.000000       0.000000 825.0344       56.81370 ?        ?        128.9313 4.508763 ?              ?        
1 1 1 13  22 21 o 30.46563 5.573948 47.76313       16.00951 62.55000       53.04966 46.28151       16.79243 35.16197 12.39419 29.89192 5.948522 5.270052       13.74776 
1 1 1 13  22 22 o 62.68053 3.469788 194.5458       21.20527 232.8000       59.82129 189.0482       22.67787 66.29597 9.488811 61.72048 3.771772 4.575493       10.21097 
1 1 1 13  22 23 o 74.87598 3.376623 277.3502       24.68382 386.3000       65.06484 259.0335       26.67818 86.55169 7.762406 72.25621 3.785227 14.29548       8.636139 
1 1 1 13  22 24 o 12.65834 5.839844 -12.50569      16.84904 0.000000       0.000000 -12.50569      16.84904 ?        ?        12.65834 5.839844 ?              ?        
1 1 1 13  22 25 o 98.22310 3.297092 477.1390       31.65447 441.1000       69.52300 486.5639       35.55350 92.28056 7.768913 99.06593 3.672860 -6.785362      8.593365 
1 1 1 13  22 26 o 108.6369 3.344538 584.0353       35.52238 480.2000       72.49759 616.8399       40.74912 96.18060 7.766697 111.4965 3.739086 -15.31594      8.619881 
1 1 1 13  22 27 o 70.01021 3.479230 243.2202       23.76774 298.0000       57.02572 231.7036       26.14704 75.53005 7.826679 68.19791 3.933616 7.332138       8.759580 
1 1 1 13  22 28 o 25.35782 6.939311 34.10305       17.72145 78.06000       45.03930 26.05128       19.27630 37.11678 11.34645 22.73700 7.481580 14.37978       13.59102 
1 1 1 13  22 29 o 30.65471 6.523319 49.72691       18.97201 0.1281000      45.33863 60.25526       20.88877 23.57455 10.31867 33.80936 6.548639 -10.23482      12.22128 
1 1 1 13  22 30 o 33.59599 6.093378 59.20226       19.30018 132.9000       49.85635 46.21119       20.93225 48.13422 10.84298 29.26670 7.324961 18.86752       13.08531 
1 1 1 13  22 31 o 61.18978 4.321445 188.5245       25.71648 0.000000       0.000000 188.5245       25.71648 ?        ?        61.18978 4.321445 ?              ?        
1 1 1 13  22 32 o 27.19784 8.510117 40.37309       25.16530 0.000000       0.000000 40.37309       25.16530 ?        ?        27.19784 8.510117 ?              ?        
1 1 1 13  22 33 o 14.94375 6.497921 -0.8244870     17.72617 -20.02000      26.53934 14.63633       23.81806 15.38985 7.178229 20.21922 8.040466 -4.829371      10.77850 
1 1 1 13  22 34 o 26.16825 7.165880 37.55015       18.89029 59.17000       28.47071 20.54721       25.24841 32.20805 8.788160 21.83172 8.394384 10.37634       12.15308 
1 1 1 13  22 35 o 60.14013 4.554528 184.3161       26.61174 197.9000       36.44417 168.8000       38.95007 61.35812 6.150913 55.86273 7.297580 5.495392       9.544024 
1 1 1 13  22 36 o 17.28463 6.960612 9.378937       18.08179 7.020000       24.21861 12.35000       27.17985 18.59117 7.824484 20.39183 8.411371 -1.800659      11.48798 
1 1 1 13  22 37 o 18.24754 7.084815 13.16790       18.11367 12.18000       26.65461 14.01562       24.69112 20.18474 8.328197 20.08871 8.118211 0.9603310E-01  11.63031 
1 1 1 13  22 38 f 21.30526 8.257363 19.88034       24.57229 31.80000       27.92964 -20.95000      51.69218 24.60180 8.954585 21.66352 10.07538 2.938290       13.47954 
1 1 1 13  22 39 o 19.84764 8.124275 12.95200       25.10577 0.000000       0.000000 12.95200       25.10577 ?        ?        19.84764 8.124275 ?              ?        
1 1 1 13  22 40 f 14.50288 6.732419 -14.83506      22.91357 0.000000       0.000000 -14.83506      22.91357 ?        ?        14.50288 6.732419 ?              ?        
1 1 1 13  22 41 o 49.71046 4.998321 128.8708       23.99106 90.65000       38.57430 152.9816       30.63752 38.04976 10.16438 53.54395 5.945840 -15.49419      11.77573 
1 1 1 13  22 42 o 30.70133 7.098305 53.35027       20.90507 50.97000       33.90986 54.80951       26.55073 28.85333 9.925263 30.32593 8.568031 -1.472597      13.11190 
1 1 1 13  22 43 o 28.74003 7.321877 47.40235       20.65249 61.78000       33.12096 38.25591       26.41708 31.38680 9.754177 25.64120 8.762228 5.745600       13.11185 
1 1 1 13  22 44 o 17.95321 7.278229 11.21050       19.91728 12.72000       31.85168 10.24127       25.52274 20.96007 8.904347 19.14982 8.044352 1.810244       11.99996 
1 1 1 13  22 45 f 19.65848 7.582470 17.66692       20.64621 10.44000       32.07117 22.78167       26.98055 20.57431 8.842301 21.91722 8.606834 -1.342909      12.33953 
1 1 1 13  22 46 o 19.11805 7.774221 13.57169       22.80558 -7.006000      32.12802 34.47000       32.37734 18.12402 8.249198 24.94094 9.526960 -6.816919      12.60207 
1 1 1 13  22 47 o 22.32307 6.977214 27.95800       16.92067 38.57134       21.68763 11.44732       27.05009 25.69208 7.877268 19.62538 8.265038 6.066700       11.41763 
1 1 1 13  22 48 o 22.28870 7.674157 27.68805       20.27382 23.24970       21.82253 55.67000       54.79403 21.18785 7.880156 29.33942 12.00509 -8.151569      14.36033 
1 1 1 13  22 49 o 20.30053 9.700845 -33.29000      54.21780 0.000000       0.000000 -33.29000      54.21780 ?        ?        20.30053 9.700845 ?              ?        
1 1 1 13  22 50 o 22.35214 8.513891 26.78201       25.81073 0.000000       0.000000 26.78201       25.81073 ?        ?        22.35214 8.513891 ?              ?        
1 1 1 13  22 51 o 17.55354 7.690566 3.840617       25.23794 0.000000       0.000000 3.840617       25.23794 ?        ?        17.55354 7.690566 ?              ?        
1 1 1 13  23 0  o 48.58310 4.480401 117.1793       21.06646 163.0000       55.51168 109.4700       22.76979 55.95699 10.52111 46.85180 5.044477 9.105194       11.66793 
1 1 1 13  23 1  o 214.0517 5.213998 2260.779       109.2435 2510.000       206.2899 2163.649       128.7838 223.2879 9.460012 208.9197 6.304824 14.36823       11.36849 
1 1 1 13  23 2  o 154.3879 5.360237 1178.133       80.88057 1259.000       121.6149 1114.000       108.3036 158.7224 7.852227 149.4451 7.427077 9.277206       10.80828 
1 1 1 13  23 3  o 136.7192 4.044659 920.2325       54.06794 956.9000       102.5952 906.1329       63.61954 138.4008 7.602452 135.5030 4.804222 2.897751       8.993210 
1 1 1 13  23 4  o 116.6376 4.536563 671.1166       51.69430 0.000000       0.000000 671.1166       51.69430 ?        ?        116.6376 4.536563 ?              ?        
1 1 1 13  23 5  o 128.3753 3.363518 810.0489       42.22864 736.3000       90.24353 830.7250       47.78294 121.2958 7.639689 129.9348 3.760956 -8.639000      8.515260 
1 1 1 13  23 6  o 68.40701 3.253180 230.3349       21.72045 242.9000       59.92662 228.4346       23.30512 68.97018 9.098410 68.09192 3.508460 0.8782578      9.751428 
1 1 1 13  23 7  o 57.45883 4.279832 163.4756       23.89788 235.9000       57.74632 148.5085       26.25135 67.98585 8.890394 54.63673 4.962723 13.34912       10.18174 
1 1 1 13  23 8  o 52.39317 3.530631 135.5480       18.00072 56.33000       51.93223 146.3654       19.19042 34.77282 12.26245 54.44048 3.621871 -19.66767      12.78615 
1 1 1 13  23 9  o 56.48876 4.183743 158.0382       22.96887 57.73000       51.33265 183.1486       25.68339 34.91597 12.20087 60.80722 4.343709 -25.89125      12.95102 
1 1 1 13  23 10 o 29.93896 5.042718 45.48309       14.25313 35.36000       48.20723 46.45279       14.92018 30.44274 11.62580 30.22705 5.232167 0.2156925      12.74892 
1 1 1 13  23 11 o 115.6812 3.199724 658.2215       36.19630 647.5000       81.95005 660.8201       40.34501 113.5074 7.416589 115.8404 3.562377 -2.333084      8.227777 
1 1 1 13  23 12 o 133.2214 3.401304 873.5994       44.31700 697.2000       89.50404 930.8921       51.00866 117.5401 7.824020 137.4277 3.795590 -19.88766      8.696079 
1 1 1 13  23 13 o 148.8135 3.564195 1090.247       51.91705 930.5000       103.5928 1143.827       59.99529 135.7542 7.829181 152.2499 4.029357 -16.49570      8.805214 
1 1 1 13  23 14 o 85.20457 3.080842 357.4313       25.65211 302.2000       62.97723 368.4176       28.08777 76.79553 8.521283 86.46377 3.324964 -9.668236      9.147002 
1 1 1 13  23 15 o 69.24689 3.129111 236.3659       21.15456 198.6000       57.39496 242.3029       22.75671 61.49026 9.869722 70.08058 3.326958 -8.590324      10.41538 
1 1 1 13  23 16 o 73.50352 3.140885 266.3465       22.54572 207.6000       58.56220 276.5687       24.42863 62.82739 9.845961 74.86784 3.341901 -12.04045      10.39766 
1 1 1 13  23 17 o 26.84966 5.157436 36.99530       13.06184 -18.16000      49.88630 41.05484       13.53400 23.23718 10.45607 28.33925 5.064916 -5.102064      11.61821 
1 1 1 13  23 18 o 48.93990 3.518645 118.7410       16.74311 63.07000       52.89830 124.9391       17.65057 35.38046 12.38396 50.18938 3.617126 -14.80893      12.90140 
1 1 1 13  23 19 o 67.72965 3.580357 227.1163       23.65189 178.4000       58.41849 236.6675       25.86675 57.35861 10.80127 69.08401 3.840348 -11.72540      11.46367 
1 1 1 13  23 20 o 46.97282 4.079820 110.0854       18.57245 149.3000       55.36180 105.1124       19.71494 52.08228 11.19307 45.80744 4.453100 6.274841       12.04637 
1 1 1 13  23 21 o 32.83547 4.791854 54.75784       14.94744 59.53000       53.32233 54.35085       15.57178 34.45325 12.39575 32.65149 5.033815 1.801758       13.37886 
1 1 1 13  23 22 o 83.53924 5.554475 351.4866       45.16125 381.8000       67.03905 326.3000       61.10757 85.77049 8.080373 79.29889 7.981103 6.471603       11.35740 
1 1 1 13  23 23 o 74.82939 3.926739 278.3986       28.66077 254.1000       60.88539 285.3156       32.48506 69.10142 9.232403 75.60302 4.408866 -6.501602      10.23110 
1 1 1 13  23 24 o 103.3679 3.362372 528.8121       33.97501 415.7000       71.50781 561.7909       38.61150 89.12467 8.292017 106.4170 3.712489 -17.29233      9.085159 
1 1 1 13  23 25 f 27.30535 6.567261 39.40070       17.33684 80.81000       50.34930 33.83064       18.46607 37.88106 12.06166 25.32194 7.142420 12.55911       14.01776 
1 1 1 13  23 26 o 76.63197 3.428946 291.3110       25.65520 233.5000       58.22116 305.2413       28.57950 65.83918 9.292275 78.34850 3.737419 -12.50932      10.01572 
1 1 1 13  23 27 o 51.76111 4.055830 134.1583       20.38495 141.2000       52.55986 132.9116       22.11608 49.83900 11.06276 51.40449 4.438870 -1.565491      11.92008 
1 1 1 13  23 28 o 101.9640 3.810557 517.6971       37.96443 0.000000       0.000000 517.6971       37.96443 ?        ?        101.9640 3.810557 ?              ?        
1 1 1 13  23 29 o 44.61375 5.221396 101.8769       22.37059 0.000000       0.000000 101.8769       22.37059 ?        ?        44.61375 5.221396 ?              ?        
1 1 1 13  23 30 o 43.72024 5.263406 98.22189       22.07197 0.000000       0.000000 98.22189       22.07197 ?        ?        43.72024 5.263406 ?              ?        
1 1 1 13  23 31 o 22.47810 7.661028 25.69215       20.19191 0.000000       0.000000 25.69215       20.19191 ?        ?        22.47810 7.661028 ?              ?        
1 1 1 13  23 32 o 39.43174 5.238730 80.62534       19.72007 100.0000       28.90662 63.75888       26.97070 43.05906 7.106126 33.69559 8.245683 9.363468       10.88523 
1 1 1 13  23 33 o 35.58130 5.620020 66.53510       18.92425 69.77000       27.21653 63.50721       26.33128 35.30410 8.054514 33.63213 8.096374 1.671978       11.42044 
1 1 1 13  23 34 o 17.18042 6.823460 10.02452       17.13281 -11.37290      21.99221 43.06000       27.32615 14.76577 6.760358 27.65219 8.894317 -12.88642      11.17190 
1 1 1 13  23 35 o 30.99714 7.352917 53.45280       21.97039 39.45000       36.44665 61.44552       27.53579 27.22391 10.17225 32.71854 8.516560 -5.494633      13.26674 
1 1 1 13  23 36 o 18.17789 8.071186 -2.872427      28.68893 20.02000       35.03805 -49.44000      49.97305 23.32186 9.577767 19.16209 9.198395 4.159769       13.27946 
1 1 1 13  23 37 o 19.69204 8.469324 5.925890       29.46349 11.17000       36.31147 -4.181000      50.41000 22.05961 9.443287 22.94880 10.40091 -0.8891888     14.04830 
1 1 1 13  23 38 o 19.02283 7.500625 14.17196       20.56385 22.51000       36.54496 10.30862       24.87580 23.80026 9.778689 19.24982 8.003222 4.550447       12.63623 
1 1 1 13  23 39 o 18.35891 7.375376 11.92753       20.24836 -17.70000      35.60030 26.09522       24.61815 18.10573 8.400374 22.66388 8.380741 -4.558147      11.86605 
1 1 1 13  23 40 o 26.31305 7.610417 39.59324       20.70985 56.19000       37.05204 32.05229       24.97544 30.11861 10.37436 24.11953 8.503998 5.999077       13.41437 
1 1 1 13  23 41 o 29.46055 6.051235 47.56817       16.86546 32.61392       21.98814 68.93954       26.28588 24.02554 7.993811 34.43783 7.957738 -10.41229      11.27948 
1 1 1 13  23 42 o 23.09709 6.722915 29.92106       16.11465 2.123899       20.37036 76.41058       26.34365 16.14022 6.992255 36.45715 7.627647 -20.31692      10.34759 
1 1 1 13  23 43 o 40.82122 4.585070 86.70863       18.00418 67.21049       22.51819 121.2615       29.97634 34.62421 6.886725 46.89484 6.722524 -12.27063      9.623893 
1 1 1 13  23 44 o 32.09103 8.896359 62.90208       28.91485 0.000000       0.000000 62.90208       28.91485 ?        ?        32.09103 8.896359 ?              ?        
1 1 1 13  23 45 o 18.93821 8.350623 2.769000       30.19658 0.000000       0.000000 2.769000       30.19658 ?        ?        18.93821 8.350623 ?              ?        
1 1 1 13  23 46 o 22.21784 8.767061 23.79007       28.11340 0.000000       0.000000 23.79007       28.11340 ?        ?        22.21784 8.767061 ?              ?        
1 1 1 13  23 47 f 24.04483 10.83615 11.93000       53.81399 0.000000       0.000000 11.93000       53.81399 ?        ?        24.04483 10.83615 ?              ?        
1 1 1 13  23 48 f 29.70020 9.037245 54.83405       28.61592 0.000000       0.000000 54.83405       28.61592 ?        ?        29.70020 9.037245 ?              ?        
1 1 1 13  23 49 f 20.24903 8.331046 16.40365       26.57293 0.000000       0.000000 16.40365       26.57293 ?        ?        20.24903 8.331046 ?              ?        
1 1 1 13  23 50 o 32.78542 12.53695 85.63000       56.10783 0.000000       0.000000 85.63000       56.10783 ?        ?        32.78542 12.53695 ?              ?        
1 1 1 13  23 51 o 28.74236 8.830356 52.75109       27.23594 0.000000       0.000000 52.75109       27.23594 ?        ?        28.74236 8.830356 ?              ?        
1 1 1 13  24 0  o 49.13138 3.890591 119.5259       18.55766 106.1000       55.71186 121.2016       19.68166 44.60783 12.34216 49.44472 4.103569 -4.836884      13.00646 
1 1 1 13  24 1  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 13  24 2  o 148.0868 5.293460 1085.834       76.60603 1157.000       115.5351 1030.000       102.3363 151.8535 7.799023 143.4712 7.311273 8.382309       10.69016 
1 1 1 13  24 3  o 57.47114 4.146948 163.5324       23.17150 248.3000       59.33691 148.2797       25.17001 69.67662 8.903395 54.60794 4.756328 15.06868       10.09421 
1 1 1 13  24 4  o 37.51652 4.453197 70.36391       16.03449 6.156000       51.65488 77.21059       16.86774 26.82264 11.36485 39.32173 4.461210 -12.49909      12.20910 
1 1 1 13  24 5  o 23.30924 7.088185 27.29155       17.60746 79.61000       52.65782 20.70565       18.68284 39.16471 12.31819 21.31833 7.365732 17.84638       14.35241 
1 1 1 13  24 6  o 78.84050 3.843879 306.7545       29.57429 350.4000       66.00305 295.7904       33.08101 83.10680 8.221353 77.31731 4.389178 5.789490       9.319631 
1 1 1 13  24 7  o 85.86265 3.125551 362.7796       26.22478 333.8000       65.17621 368.3777       28.64599 81.01419 8.337976 86.48228 3.390571 -5.468094      9.000989 
1 1 1 13  24 8  o 51.74421 3.523916 132.3549       17.74166 200.5000       54.86023 124.3954       18.74917 62.23278 9.290061 50.10706 3.852310 12.12571       10.05711 
1 1 1 13  24 9  o 83.37923 3.110200 342.2228       25.33906 298.9000       64.47321 350.1370       27.55650 76.36206 8.785629 84.30104 3.346174 -7.938980      9.401285 
1 1 1 13  24 10 o 47.95934 4.009768 114.2060       18.65130 153.6000       55.01804 109.0909       19.82525 53.69456 10.84203 46.79995 4.378634 6.894608       11.69282 
1 1 1 13  24 11 o 21.58310 6.919318 22.88984       16.54754 -19.01000      50.94119 27.83261       17.49636 23.54394 10.58243 23.42904 7.053331 0.1148949      12.71760 
1 1 1 13  24 12 o 34.92307 4.437052 61.24466       14.82553 32.32000       51.48690 63.85973       15.48122 30.24449 11.88577 35.65173 4.539051 -5.407236      12.72299 
1 1 1 13  24 13 o 15.58662 5.931523 8.628351       12.52072 -37.84000      49.70047 11.77734       12.93800 21.34214 9.910030 16.81649 6.098436 4.525654       11.63613 
1 1 1 13  24 14 o 43.02721 3.697228 91.98019       15.42050 72.48000       53.98604 93.71254       16.09089 37.35965 12.52755 43.41072 3.825949 -6.051071      13.09876 
1 1 1 13  24 15 o 104.7477 3.182765 540.8394       32.59501 482.4000       76.74857 553.6996       36.00327 97.00556 8.158438 105.9141 3.477531 -8.908554      8.868671 
1 1 1 13  24 16 o 38.33683 3.964582 73.42196       14.66274 -19.63000      54.26655 80.75046       15.22919 24.07938 10.86397 40.23265 3.916680 -16.15327      11.54843 
1 1 1 13  24 17 o 52.02726 3.442502 134.1517       17.43261 119.3000       57.36735 135.6627       18.29789 46.08863 12.43255 52.29096 3.596844 -6.202324      12.94239 
1 1 1 13  24 18 o 75.93388 3.536289 285.3950       26.21169 201.4000       62.41797 303.3788       28.88173 60.84877 10.87912 78.23219 3.782863 -17.38342      11.51805 
1 1 1 13  24 19 o 49.04910 3.685934 119.6270       17.56694 76.35000       55.68612 124.4098       18.51222 37.62141 12.72369 49.99848 3.811366 -12.37707      13.28227 
1 1 1 13  24 20 o 80.66982 3.290268 321.7960       25.92605 247.9000       64.76366 335.8980       28.29192 67.90833 10.04593 82.36139 3.517498 -14.45306      10.64394 
1 1 1 13  24 21 o 78.56379 3.872915 306.6724       29.69108 256.2000       61.73159 321.8622       33.86545 69.33366 9.332947 80.34442 4.322116 -11.01076      10.28516 
1 1 1 13  24 22 o 27.05455 5.947683 38.30692       15.32051 27.97000       51.45583 39.31242       16.04835 28.83149 11.69473 27.37329 6.141071 1.458202       13.20906 
1 1 1 13  24 23 o 53.79959 3.774447 144.2166       19.75032 111.3000       54.96214 149.0974       21.16397 43.89261 12.30170 54.65210 3.983607 -10.75949      12.93062 
1 1 1 13  24 24 o 50.86468 4.040585 129.3947       19.95196 176.2000       54.32334 122.0964       21.45119 56.59443 10.18061 49.27377 4.497156 7.320652       11.12966 
1 1 1 13  24 25 o 46.35036 4.344578 108.0785       19.48117 146.5000       52.22392 101.8679       20.99674 50.97922 10.80194 44.83355 4.862318 6.145664       11.84584 
1 1 1 13  24 26 o 66.46439 3.619166 219.8952       23.45643 351.3000       61.95518 197.9079       25.34299 81.73775 7.839701 62.87899 4.140663 18.85877       8.866003 
1 1 1 13  24 27 o 47.62189 4.688525 114.8372       21.57179 0.000000       0.000000 114.8372       21.57179 ?        ?        47.62189 4.688525 ?              ?        
1 1 1 13  24 28 o 90.51075 3.762573 408.8169       33.26160 0.000000       0.000000 408.8169       33.26160 ?        ?        90.51075 3.762573 ?              ?        
1 1 1 13  24 29 o 39.58158 7.405376 84.60271       27.63667 0.000000       0.000000 84.60271       27.63667 ?        ?        39.58158 7.405376 ?              ?        
1 1 1 13  24 30 f 46.45224 5.081411 110.8590       22.72805 0.000000       0.000000 110.8590       22.72805 ?        ?        46.45224 5.081411 ?              ?        
1 1 1 13  24 31 o 43.57716 4.912370 97.66845       20.58878 59.49000       46.15154 107.1545       23.00482 32.01126 11.53026 45.51078 5.260891 -13.49951      12.67375 
1 1 1 13  24 32 o 40.54750 6.138878 87.15839       23.60312 30.83000       41.39914 114.2862       28.72995 26.37051 10.56238 46.31912 6.516716 -19.94861      12.41094 
1 1 1 13  24 33 o 18.75627 7.653189 10.56385       22.19158 -26.29000      38.17770 29.37000       27.27209 18.18812 8.524347 24.09943 8.836473 -5.911314      12.27794 
1 1 1 13  24 34 o 17.66200 7.272438 8.257847       20.26994 30.24000       38.51976 -0.1602773     23.83725 25.67270 10.21991 17.14192 7.493030 8.530773       12.67249 
1 1 1 13  24 35 o 25.48680 9.424973 34.07391       31.13565 17.38000       39.28346 62.28000       51.06250 23.61962 9.954381 32.01933 12.02457 -8.399702      15.61025 
1 1 1 13  24 36 f 48.28031 4.168211 118.8559       19.50546 122.0243       25.17936 114.1012       30.84468 48.27294 5.422516 45.61487 7.142447 2.658070       8.967621 
1 1 1 13  24 37 o 14.29928 6.137518 1.292019       15.41397 -10.90979      19.76860 20.21434       24.61790 13.85263 6.367128 21.29223 8.261523 -7.439600      10.43039 
1 1 1 13  24 38 o 19.51278 6.744907 19.48328       15.66687 -0.7162592     20.01805 51.41431       25.16852 15.61471 6.844956 29.69720 8.325078 -14.08249      10.77777 
1 1 1 13  24 39 o 47.86517 6.356355 124.0916       29.04518 0.000000       0.000000 124.0916       29.04518 ?        ?        47.86517 6.356355 ?              ?        
1 1 1 13  24 40 o 23.49850 8.574488 29.93214       25.63189 0.000000       0.000000 29.93214       25.63189 ?        ?        23.49850 8.574488 ?              ?        
1 1 1 13  24 41 o 41.80086 7.122398 98.13822       28.09808 0.000000       0.000000 98.13822       28.09808 ?        ?        41.80086 7.122398 ?              ?        
1 1 1 13  24 42 o 27.00801 8.805545 43.47641       26.72942 0.000000       0.000000 43.47641       26.72942 ?        ?        27.00801 8.805545 ?              ?        
1 1 1 13  24 43 o 33.42480 8.811058 68.05015       29.23057 0.000000       0.000000 68.05015       29.23057 ?        ?        33.42480 8.811058 ?              ?        
1 1 1 13  24 44 f 27.49099 9.819692 46.41000       33.39719 0.000000       0.000000 46.41000       33.39719 ?        ?        27.49099 9.819692 ?              ?        
1 1 1 13  24 45 o 14.60441 6.938845 -24.35326      26.93083 0.000000       0.000000 -24.35326      26.93083 ?        ?        14.60441 6.938845 ?              ?        
1 1 1 13  24 46 o 43.62688 7.993604 111.3395       32.87769 0.000000       0.000000 111.3395       32.87769 ?        ?        43.62688 7.993604 ?              ?        
1 1 1 13  24 47 o 16.26958 7.392789 -6.661355      25.66940 0.000000       0.000000 -6.661355      25.66940 ?        ?        16.26958 7.392789 ?              ?        
1 1 1 13  24 48 o 41.11675 7.815622 99.29675       30.30546 0.000000       0.000000 99.29675       30.30546 ?        ?        41.11675 7.815622 ?              ?        
1 1 1 13  24 49 o 24.78641 8.786994 37.20961       26.69485 0.000000       0.000000 37.20961       26.69485 ?        ?        24.78641 8.786994 ?              ?        
1 1 1 13  24 50 o 14.41970 6.772303 -16.21434      24.31354 0.000000       0.000000 -16.21434      24.31354 ?        ?        14.41970 6.772303 ?              ?        
1 1 1 13  25 0  o 12.62132 6.020561 -26.87181      20.68903 0.000000       0.000000 -26.87181      20.68903 ?        ?        12.62132 6.020561 ?              ?        
1 1 1 13  25 1  o 63.10831 3.417679 196.5223       21.03297 194.6000       59.57260 196.7961       22.48075 60.85038 10.37347 63.11552 3.654514 -2.265144      10.99838 
1 1 1 13  25 2  o 201.1974 4.313290 1998.181       84.94490 1971.000       174.8182 2006.583       97.18962 196.7674 9.101339 201.3569 4.931137 -4.589508      10.35135 
1 1 1 13  25 3  o 72.17295 3.877650 257.4474       27.29303 353.8000       65.47206 237.1819       30.02639 83.38988 8.124026 69.15460 4.459615 14.23528       9.267576 
1 1 1 13  25 4  o 74.25777 4.338144 273.1881       31.39472 0.000000       0.000000 273.1881       31.39472 ?        ?        74.25777 4.338144 ?              ?        
1 1 1 13  25 5  o 63.48763 3.324877 198.8592       20.58992 228.2000       58.84689 194.7661       21.97920 66.33920 9.319070 62.78701 3.591296 3.552197       9.987115 
1 1 1 13  25 6  o 35.00362 5.884847 62.57126       19.44829 112.4000       52.95934 54.80395       20.90922 45.53181 11.79057 32.51633 6.789001 13.01548       13.60544 
1 1 1 13  25 7  o 61.59668 3.347895 187.3001       20.10943 193.4000       59.01750 186.4989       21.38940 60.51357 10.33450 61.42781 3.572775 -0.9142456     10.93465 
1 1 1 13  25 8  o 61.59273 3.359577 187.3253       20.17775 182.6000       60.24250 187.9224       21.41470 58.46569 10.92849 61.65710 3.563500 -3.191410      11.49480 
1 1 1 13  25 9  o 29.56479 5.281774 44.68725       14.72387 16.47000       54.81313 46.88165       15.28568 28.54455 11.87484 30.28403 5.352331 -1.739471      13.02534 
1 1 1 13  25 10 o 105.2739 3.204473 546.0587       32.98203 519.9000       78.34955 551.6926       36.36070 100.9691 7.992756 105.7435 3.517849 -4.774376      8.732664 
1 1 1 13  25 11 o 149.8864 3.599457 1107.935       52.80870 1087.000       113.3559 1113.738       59.68062 146.1306 7.954954 150.0676 4.066688 -3.937012      8.934161 
1 1 1 13  25 12 o 40.80231 5.631434 84.54941       21.89197 51.01000       54.75826 90.93000       23.88375 33.52053 12.47962 42.25850 5.937624 -8.737968      13.82014 
1 1 1 13  25 13 o 122.2819 3.337299 737.6909       39.90775 625.0000       86.36568 768.2845       44.99999 110.4327 8.045009 124.6832 3.691278 -14.25052      8.851423 
1 1 1 13  25 14 o 70.95386 3.257244 248.7226       22.56173 162.8000       62.65125 261.5257       24.18432 54.07948 12.13464 72.72925 3.406646 -18.64977      12.60375 
1 1 1 13  25 15 o 58.90256 3.355464 171.7392       19.26605 75.55000       57.29393 184.0025       20.45735 37.68267 12.90334 60.95803 3.442555 -23.27535      13.35467 
1 1 1 13  25 16 o 62.11576 3.248138 190.8450       19.68027 181.7000       60.48727 191.9277       20.81269 57.53768 11.14266 62.25487 3.428696 -4.717190      11.65825 
1 1 1 13  25 17 o 43.86485 4.076862 96.19195       17.30411 18.30000       57.97546 103.8097       18.13053 28.88001 12.12745 45.57522 4.108259 -16.69521      12.80441 
1 1 1 13  25 18 o 128.3307 3.432444 814.3889       43.07747 754.8000       94.48392 830.0258       48.40063 120.7910 8.037008 129.3969 3.825586 -8.605904      8.901046 
1 1 1 13  25 19 o 32.98645 4.779592 55.35781       14.98327 3.953000       57.13507 59.15406       15.52667 26.85803 11.67235 34.11911 4.780127 -7.261080      12.61322 
1 1 1 13  25 20 o 20.12933 6.682921 19.82200       15.36978 40.19000       53.81751 18.01321       16.03773 31.00167 12.16126 19.63849 6.822385 11.36318       13.94421 
1 1 1 13  25 21 o 28.81874 5.511044 43.09592       14.97952 -8.475000      54.82357 47.25659       15.57206 24.90076 11.10060 30.22344 5.464861 -5.322681      12.37287 
1 1 1 13  25 22 o 45.75655 4.164175 105.0044       18.44630 59.46000       55.79208 110.5940       19.54551 34.12531 12.61700 46.93042 4.302706 -12.80510      13.33049 
1 1 1 13  25 23 o 22.98794 6.714667 27.66322       16.05018 62.51000       52.48605 24.06843       16.85773 34.25513 12.30144 21.77403 6.984203 12.48110       14.14583 
1 1 1 13  25 24 o 101.1624 3.354749 507.4797       33.17295 547.8000       75.68867 497.8930       36.90649 102.4175 7.604315 100.0272 3.776234 2.390312       8.490321 
1 1 1 13  25 25 o 55.08270 3.963977 151.8709       21.22944 188.6000       58.78259 146.3618       22.76598 57.76043 10.79388 53.94765 4.348098 3.812775       11.63674 
1 1 1 13  25 26 o 41.35663 5.213511 87.73355       20.63681 0.000000       0.000000 87.73355       20.63681 ?        ?        41.35663 5.213511 ?              ?        
1 1 1 13  25 27 o 17.07904 6.859680 8.518992       17.51163 0.000000       0.000000 8.518992       17.51163 ?        ?        17.07904 6.859680 ?              ?        
1 1 1 13  25 28 o 54.25924 6.007887 153.1624       31.37419 0.000000       0.000000 153.1624       31.37419 ?        ?        54.25924 6.007887 ?              ?        
1 1 1 13  25 29 o 11.79711 5.626261 -21.60556      18.04874 0.000000       0.000000 -21.60556      18.04874 ?        ?        11.79711 5.626261 ?              ?        
1 1 1 13  25 30 o 13.56577 6.065027 -5.043097      16.49069 -0.3603000     36.53270 -6.241420      18.48060 20.77469 9.171674 14.20230 6.379563 6.572393       11.17222 
1 1 1 13  25 31 o 16.76099 7.037401 5.014645       19.51810 -7.233000      35.41718 10.35665       23.39052 19.55540 8.803848 19.06867 7.827703 0.4867249      11.78052 
1 1 1 13  25 32 o 14.69158 6.638547 -7.513357      20.35301 -16.40000      33.46577 -2.297000      25.63985 17.86795 8.238603 17.37545 7.676727 0.4924946      11.26085 
1 1 1 13  25 33 o 16.04347 6.429060 8.131094       15.34531 -11.88538      19.71799 38.87356       24.43645 13.74474 6.332573 26.30634 8.405851 -12.56161      10.52425 
1 1 1 13  25 34 o 53.58043 4.455859 146.8402       23.15790 138.8130       25.21508 190.1000       58.53582 51.77811 5.038830 55.43378 11.17435 -3.655670      12.25790 
1 1 1 13  25 35 o 17.72587 7.797205 -0.3662794     26.17908 0.000000       0.000000 -0.3662794     26.17908 ?        ?        17.72587 7.797205 ?              ?        
1 1 1 13  25 36 o 37.35088 7.934760 79.54966       28.11337 0.000000       0.000000 79.54966       28.11337 ?        ?        37.35088 7.934760 ?              ?        
1 1 1 13  25 37 o 14.32179 6.690067 -16.86690      23.19280 0.000000       0.000000 -16.86690      23.19280 ?        ?        14.32179 6.690067 ?              ?        
1 1 1 13  25 38 o 23.59588 8.517305 30.14917       25.19950 0.000000       0.000000 30.14917       25.19950 ?        ?        23.59588 8.517305 ?              ?        
1 1 1 13  25 39 o 21.90656 8.487599 23.16040       25.95518 0.000000       0.000000 23.16040       25.95518 ?        ?        21.90656 8.487599 ?              ?        
1 1 1 13  25 40 o 27.35081 8.650580 44.77167       25.93547 0.000000       0.000000 44.77167       25.93547 ?        ?        27.35081 8.650580 ?              ?        
1 1 1 13  25 41 o 16.07562 7.301938 -7.381050      25.01356 0.000000       0.000000 -7.381050      25.01356 ?        ?        16.07562 7.301938 ?              ?        
1 1 1 13  25 42 o 30.95530 8.903008 58.81195       28.41661 0.000000       0.000000 58.81195       28.41661 ?        ?        30.95530 8.903008 ?              ?        
1 1 1 13  25 43 o 34.31923 9.734264 75.09000       34.20245 0.000000       0.000000 75.09000       34.20245 ?        ?        34.31923 9.734264 ?              ?        
1 1 1 13  25 44 o 63.96599 5.955771 220.7244       36.86161 0.000000       0.000000 220.7244       36.86161 ?        ?        63.96599 5.955771 ?              ?        
1 1 1 13  25 45 o 32.36513 9.061703 65.31902       29.83919 0.000000       0.000000 65.31902       29.83919 ?        ?        32.36513 9.061703 ?              ?        
1 1 1 13  25 46 o 26.93592 8.985534 44.47063       27.77879 0.000000       0.000000 44.47063       27.77879 ?        ?        26.93592 8.985534 ?              ?        
1 1 1 13  25 47 o 19.26726 8.144645 11.44375       26.42728 0.000000       0.000000 11.44375       26.42728 ?        ?        19.26726 8.144645 ?              ?        
1 1 1 13  25 48 o 25.99594 8.860762 41.94264       27.01138 0.000000       0.000000 41.94264       27.01138 ?        ?        25.99594 8.860762 ?              ?        
1 1 1 13  25 49 o 17.38005 7.557118 5.234297       23.97501 0.000000       0.000000 5.234297       23.97501 ?        ?        17.38005 7.557118 ?              ?        
1 1 1 13  26 0  o 24.89331 6.405495 32.17311       15.69789 0.000000       0.000000 32.17311       15.69789 ?        ?        24.89331 6.405495 ?              ?        
1 1 1 13  26 1  o 45.39974 4.186081 102.6905       18.39299 0.000000       0.000000 102.6905       18.39299 ?        ?        45.39974 4.186081 ?              ?        
1 1 1 13  26 2  o 126.7853 3.363759 792.2263       41.70770 767.5000       93.69948 798.3359       46.57633 122.9183 7.828476 127.1675 3.745902 -4.249245      8.678526 
1 1 1 13  26 3  o 63.93814 3.327557 201.8604       20.75366 260.8000       60.37524 193.9629       22.10038 70.95898 8.886868 62.62012 3.621062 8.338860       9.596275 
1 1 1 13  26 4  o 55.14572 4.302961 151.2892       23.04284 276.7000       59.56295 129.2160       24.98854 73.28439 8.458482 50.76408 5.097893 22.52030       9.875952 
1 1 1 13  26 5  o 46.87740 4.787951 110.0605       21.66128 120.0000       55.13236 108.2461       23.55555 46.74001 11.99242 46.37071 5.283875 0.3692970      13.10486 
1 1 1 13  26 6  o 65.14331 4.133410 210.6087       26.22038 240.4000       61.33522 203.9469       29.00425 67.74345 9.511535 63.97934 4.663459 3.764111       10.59326 
1 1 1 13  26 7  o 21.51018 6.358142 23.58960       14.31861 48.28000       53.17227 21.65917       14.86782 32.89835 12.28776 20.84075 6.544131 12.05760       13.92174 
1 1 1 13  26 8  o 69.02841 3.242890 235.2592       21.84995 165.1000       60.29006 245.8676       23.44372 54.94426 11.57623 70.53957 3.405434 -15.59530      12.06673 
1 1 1 13  26 9  o 64.49658 3.298316 205.5589       20.75346 257.6000       61.89165 198.9661       22.02883 70.11851 9.242489 63.39994 3.564089 6.718571       9.905873 
1 1 1 13  26 10 o 19.65419 6.417365 18.84032       14.19422 -52.09000      55.65265 23.77542       14.67972 21.57372 10.16752 21.58609 6.452045 -0.1237297E-01 12.04190 
1 1 1 13  26 11 o 99.69999 3.185673 490.5059       31.04880 434.7000       74.84516 502.1060       34.12352 91.60764 8.441793 100.7982 3.463703 -9.190552      9.124753 
1 1 1 13  26 12 o 58.14761 3.427696 167.4807       19.42270 153.4000       60.48736 169.0994       20.50876 52.35413 12.05298 58.39190 3.605822 -6.037762      12.58079 
1 1 1 13  26 13 o 54.50199 3.540549 147.3650       18.78592 80.78000       58.92369 154.8987       19.82021 38.59984 13.08810 55.86125 3.644766 -17.26141      13.58612 
1 1 1 13  26 14 o 54.71791 4.983054 150.5562       26.39644 22.46000       59.38260 182.1000       29.46783 29.65530 12.35028 60.19798 5.047470 -30.54267      13.34190 
1 1 1 13  26 15 o 34.43454 4.925107 60.29820       16.12807 29.55000       58.08546 62.86678       16.78820 30.30043 12.37486 35.14829 5.022333 -4.847862      13.35519 
1 1 1 13  26 16 o 59.13282 3.729373 173.8299       21.47597 91.49000       62.04832 185.0365       22.89082 40.27471 13.42913 60.98454 3.854455 -20.70983      13.97134 
1 1 1 13  26 17 o 24.98523 5.673984 32.61277       13.55881 28.80000       57.86663 32.83426       13.94707 30.00061 12.31328 25.04995 5.802254 4.950666       13.61187 
1 1 1 13  26 18 o 37.21690 5.058661 70.55560       17.95156 81.32000       57.66530 69.40046       18.89022 38.15094 12.94747 36.80637 5.404179 1.344563       14.03004 
1 1 1 13  26 19 o 24.40570 6.650401 31.38608       16.31677 -35.94000      55.08517 37.86144       17.08343 22.37926 10.40573 26.75592 6.571557 -4.376659      12.30709 
1 1 1 13  26 20 o 137.0222 4.329652 936.6909       57.99687 795.2000       99.59581 1009.288       71.34056 123.1295 8.312385 141.6809 5.152795 -18.55146      9.779930 
1 1 1 13  26 21 o 89.32780 4.318307 398.9353       37.64592 321.6000       70.53814 429.7358       44.51575 77.08536 9.552863 92.42315 4.938630 -15.33779      10.75394 
1 1 1 13  26 22 o 54.75769 3.852091 149.8039       20.51484 145.4000       58.94767 150.4108       21.88277 49.78256 12.19510 54.79221 4.110116 -5.009651      12.86909 
1 1 1 13  26 23 f 58.65997 3.757552 171.7563       21.46166 178.0000       59.20264 170.8116       23.02805 55.78016 11.23211 58.40516 4.053240 -2.625008      11.94107 
1 1 1 13  26 24 o 37.55336 5.112967 72.38335       18.30671 253.5000       57.94672 52.30231       19.29491 68.36357 8.868398 31.37800 6.496282 36.98557       10.99319 
1 1 1 13  26 25 o 62.45100 4.037408 195.7198       24.54792 0.000000       0.000000 195.7198       24.54792 ?        ?        62.45100 4.037408 ?              ?        
1 1 1 13  26 26 o 63.17830 5.465526 204.9625       33.46708 0.000000       0.000000 204.9625       33.46708 ?        ?        63.17830 5.465526 ?              ?        
1 1 1 13  26 27 o 74.04433 3.866888 275.1690       27.92879 0.000000       0.000000 275.1690       27.92879 ?        ?        74.04433 3.866888 ?              ?        
1 1 1 13  26 28 o 60.92463 3.828485 186.7671       22.71563 116.3000       49.80806 205.2729       25.52469 43.35131 11.53616 63.75053 4.112382 -20.39922      12.24723 
1 1 1 13  26 29 o 29.34814 7.510461 47.89054       21.66238 55.70000       38.48946 44.26997       26.20712 30.92069 10.57626 28.02659 8.671089 2.894104       13.67645 
1 1 1 13  26 30 o 31.04045 7.367323 53.55690       22.04674 68.27000       38.05347 46.12305       27.04888 33.62309 10.45628 28.44406 8.810760 5.179024       13.67345 
1 1 1 13  26 31 o 34.33737 7.349319 65.43068       23.95548 54.32000       37.23130 73.28000       31.29347 30.35335 10.40140 35.45087 9.002822 -5.097527      13.75645 
1 1 1 13  26 32 o 34.36679 5.273487 62.07941       17.17399 71.97023       22.28280 47.60727       26.95379 36.46400 6.480539 28.71829 8.777275 7.745710       10.91045 
1 1 1 13  26 33 o 28.92957 6.712059 46.17863       18.63830 46.65334       19.82635 42.57000       54.66389 28.93509 7.063013 29.03200 11.94724 -0.9690475E-01 13.87886 
1 1 1 13  26 34 o 83.41798 5.239193 361.5002       42.56292 0.000000       0.000000 361.5002       42.56292 ?        ?        83.41798 5.239193 ?              ?        
1 1 1 13  26 35 o 40.04418 7.739577 90.75655       29.23855 0.000000       0.000000 90.75655       29.23855 ?        ?        40.04418 7.739577 ?              ?        
1 1 1 13  26 36 o 40.92525 7.484356 94.15755       28.87693 0.000000       0.000000 94.15755       28.87693 ?        ?        40.92525 7.484356 ?              ?        
1 1 1 13  26 37 f 16.52408 7.388144 -3.626804      24.47502 0.000000       0.000000 -3.626804      24.47502 ?        ?        16.52408 7.388144 ?              ?        
1 1 1 13  26 38 o 51.10964 6.241583 141.7296       30.57806 0.000000       0.000000 141.7296       30.57806 ?        ?        51.10964 6.241583 ?              ?        
1 1 1 13  26 39 f 12.90487 6.230414 -30.51813      23.71335 0.000000       0.000000 -30.51813      23.71335 ?        ?        12.90487 6.230414 ?              ?        
1 1 1 13  26 40 o 18.48675 7.962146 6.113462       26.11059 0.000000       0.000000 6.113462       26.11059 ?        ?        18.48675 7.962146 ?              ?        
1 1 1 13  26 41 o 13.33276 6.439595 -32.11679      25.39501 0.000000       0.000000 -32.11679      25.39501 ?        ?        13.33276 6.439595 ?              ?        
1 1 1 13  26 42 o 27.58972 9.771222 47.18000       33.00304 0.000000       0.000000 47.18000       33.00304 ?        ?        27.58972 9.771222 ?              ?        
1 1 1 13  26 43 o 26.62954 11.54615 34.04000       55.63919 0.000000       0.000000 34.04000       55.63919 ?        ?        26.62954 11.54615 ?              ?        
1 1 1 13  26 44 o 15.58651 7.237965 -13.86232      26.51922 0.000000       0.000000 -13.86232      26.51922 ?        ?        15.58651 7.237965 ?              ?        
1 1 1 13  26 45 o 19.91661 8.239697 14.78086       26.18627 0.000000       0.000000 14.78086       26.18627 ?        ?        19.91661 8.239697 ?              ?        
1 1 1 13  26 46 o 29.86325 8.886373 55.98832       27.89480 0.000000       0.000000 55.98832       27.89480 ?        ?        29.86325 8.886373 ?              ?        
1 1 1 13  26 47 o 20.45500 8.339483 18.37562       26.32388 0.000000       0.000000 18.37562       26.32388 ?        ?        20.45500 8.339483 ?              ?        
1 1 1 13  26 48 o 17.03793 7.499234 2.906671       24.25107 0.000000       0.000000 2.906671       24.25107 ?        ?        17.03793 7.499234 ?              ?        
1 1 1 13  27 0  o 70.35413 3.351787 244.5819       23.01555 268.1000       64.46918 241.1467       24.63918 71.43114 9.452356 69.80202 3.618572 1.629120       10.12132 
1 1 1 13  27 1  o 139.2788 3.939182 959.8992       53.64891 0.000000       0.000000 959.8992       53.64891 ?        ?        139.2788 3.939182 ?              ?        
1 1 1 13  27 2  o 70.19591 4.394639 245.1846       30.04393 0.000000       0.000000 245.1846       30.04393 ?        ?        70.19591 4.394639 ?              ?        
1 1 1 13  27 3  o 62.25558 3.991449 192.4901       24.19475 351.2000       63.65299 165.6874       26.15807 82.61946 7.969806 57.57719 4.681768 25.04227       9.243200 
1 1 1 13  27 4  o 36.45415 4.708865 67.06935       16.41021 66.78000       53.47206 67.09944       17.24225 35.97110 12.45954 36.40115 4.968760 -0.4300499     13.41375 
1 1 1 13  27 5  o 16.96585 6.795827 7.610359       17.13865 61.99000       54.76544 1.706463       18.04504 35.17968 12.57369 15.90426 6.726939 19.27542       14.26006 
1 1 1 13  27 6  o 93.34858 3.867279 431.7988       35.25964 434.4000       73.83074 431.0302       40.13200 91.62487 8.322956 93.09117 4.416890 -1.466301      9.422341 
1 1 1 13  27 7  o 49.69705 3.733385 122.7848       18.02823 69.24000       56.41305 128.8752       19.02593 36.48431 12.78741 50.89718 3.847461 -14.41288      13.35368 
1 1 1 13  27 8  o 119.3600 3.293991 703.4874       38.44786 695.8000       88.60538 705.2706       42.67478 116.3507 7.825609 119.3890 3.656057 -3.038284      8.637528 
1 1 1 13  27 9  o 61.51789 3.399646 187.4150       20.39151 73.62000       59.85912 202.3543       21.68877 37.38282 13.16661 63.91219 3.480060 -26.52937      13.61875 
1 1 1 13  27 10 o 17.01493 6.259707 11.86890       13.70412 -11.16000      55.99960 13.33589       14.13387 25.13206 11.21036 17.63881 6.377187 7.493248       12.89732 
1 1 1 13  27 11 o 106.9305 3.248219 564.8963       33.95858 497.4000       80.74364 579.4008       37.42987 97.66545 8.531768 108.2015 3.538862 -10.53601      9.236590 
1 1 1 13  27 12 o 20.86939 6.310831 22.25520       13.98422 40.85000       56.69326 21.05054       14.43009 31.65739 12.46275 20.46067 6.450135 11.19671       14.03297 
1 1 1 13  27 13 o 66.33529 3.343468 217.9781       21.63941 184.1000       63.22997 222.4724       23.03008 57.27383 11.67519 66.97266 3.525527 -9.698837      12.19588 
1 1 1 13  27 14 o 61.04364 3.803202 185.4136       22.61170 126.9000       62.88402 194.1027       24.23249 46.57804 13.19498 62.41273 3.987458 -15.83469      13.78431 
1 1 1 13  27 15 o 12.23464 5.428191 -4.023803      12.95170 -1.169000      58.03577 -4.173435      13.28679 26.38004 11.60649 12.37758 5.494438 14.00245       12.84132 
1 1 1 13  27 16 o 55.01119 4.436525 151.8069       23.68666 66.18000       61.49350 166.7248       25.66720 35.70610 13.23783 57.61883 4.588897 -21.91273      14.01064 
1 1 1 13  27 17 o 16.21092 6.361361 8.400666       14.72970 -5.300000      56.65968 9.393716       15.25418 25.56155 11.34655 16.68638 6.495161 8.875172       13.07407 
1 1 1 13  27 18 o 59.28684 4.193676 175.8896       24.17952 115.0000       60.23727 187.5849       26.39971 44.08245 13.04383 61.15536 4.440451 -17.07291      13.77894 
1 1 1 13  27 19 o 63.22192 3.440364 198.6308       21.20990 144.2000       60.52095 206.2520       22.64613 49.46131 12.49779 64.37849 3.608182 -14.91718      13.00822 
1 1 1 13  27 20 o 17.39716 6.230438 13.48538       13.45380 12.61000       53.11227 13.54540       13.90738 26.67749 11.42050 17.53983 6.327960 9.137659       13.05645 
1 1 1 13  27 21 o 37.32468 4.557654 70.74999       16.30618 81.82000       54.35029 69.65500       17.09363 37.53990 12.56949 36.94551 4.843308 0.5943947      13.47033 
1 1 1 13  27 22 o 22.30175 6.443764 26.21790       14.85392 85.53000       51.84306 20.91339       15.50392 38.04333 12.25224 20.39801 6.709576 17.64533       13.96910 
1 1 1 13  27 23 o 75.37702 3.423990 282.9077       25.19661 220.6000       59.32035 296.6236       27.83208 62.66039 10.00828 77.07661 3.699874 -14.41622      10.67028 
1 1 1 13  27 24 o 54.92516 3.891757 151.5017       20.78747 151.0000       55.66784 151.5830       22.40844 50.26939 11.55560 54.82297 4.207999 -4.553574      12.29794 
1 1 1 13  27 25 o 37.21835 8.120383 76.83912       28.74908 0.000000       0.000000 76.83912       28.74908 ?        ?        37.21835 8.120383 ?              ?        
1 1 1 13  27 26 o 22.77002 7.269062 27.57087       18.27723 0.000000       0.000000 27.57087       18.27723 ?        ?        22.77002 7.269062 ?              ?        
1 1 1 13  27 27 o 56.61808 4.296242 162.7172       23.63176 0.000000       0.000000 162.7172       23.63176 ?        ?        56.61808 4.296242 ?              ?        
1 1 1 13  27 28 o 66.51106 4.460495 225.0832       28.87122 146.2000       46.04929 276.1737       37.05958 50.05271 9.749838 73.21046 5.205511 -23.15775      11.05245 
1 1 1 13  27 29 o 46.52512 5.913017 114.3042       26.32044 81.51000       40.11230 139.1000       34.87934 36.40976 10.60941 50.50627 7.263997 -14.09651      12.85789 
1 1 1 13  27 30 o 12.76528 5.891481 -11.14174      17.17246 17.67000       34.45683 -20.66278      19.80765 22.78565 9.441497 12.60376 5.977429 10.18189       11.17459 
1 1 1 13  27 31 o 32.94750 5.498154 57.53918       17.10705 59.13345       21.52254 54.80384       28.19154 32.72905 6.934101 30.60935 8.887115 2.119707       11.27220 
1 1 1 13  27 32 o 28.85549 11.95059 41.73000       55.16574 0.000000       0.000000 41.73000       55.16574 ?        ?        28.85549 11.95059 ?              ?        
1 1 1 13  27 33 o 28.30256 8.696277 46.80747       26.41415 0.000000       0.000000 46.80747       26.41415 ?        ?        28.30256 8.696277 ?              ?        
1 1 1 13  27 34 o 21.27415 8.387671 19.74102       25.71360 0.000000       0.000000 19.74102       25.71360 ?        ?        21.27415 8.387671 ?              ?        
1 1 1 13  27 35 f 15.36069 7.025741 -10.00163      23.67456 0.000000       0.000000 -10.00163      23.67456 ?        ?        15.36069 7.025741 ?              ?        
1 1 1 13  27 36 o 17.97268 7.751589 4.750597       24.81508 0.000000       0.000000 4.750597       24.81508 ?        ?        17.97268 7.751589 ?              ?        
1 1 1 13  27 37 o 17.27638 7.540585 2.207624       24.06301 0.000000       0.000000 2.207624       24.06301 ?        ?        17.27638 7.540585 ?              ?        
1 1 1 13  27 38 o 35.61734 8.218093 75.17052       28.06839 0.000000       0.000000 75.17052       28.06839 ?        ?        35.61734 8.218093 ?              ?        
1 1 1 13  27 39 o 20.53820 8.364163 16.82834       26.44483 0.000000       0.000000 16.82834       26.44483 ?        ?        20.53820 8.364163 ?              ?        
1 1 1 13  27 40 o 15.16403 7.052532 -14.56544      25.32695 0.000000       0.000000 -14.56544      25.32695 ?        ?        15.16403 7.052532 ?              ?        
1 1 1 13  27 41 o 26.59601 9.747622 42.90000       33.18054 0.000000       0.000000 42.90000       33.18054 ?        ?        26.59601 9.747622 ?              ?        
1 1 1 13  27 42 o 32.75795 12.59690 79.90000       56.86121 0.000000       0.000000 79.90000       56.86121 ?        ?        32.75795 12.59690 ?              ?        
1 1 1 13  27 43 o 37.88904 8.268716 85.90875       29.80261 0.000000       0.000000 85.90875       29.80261 ?        ?        37.88904 8.268716 ?              ?        
1 1 1 13  27 44 o 27.82051 8.902339 47.98034       27.40093 0.000000       0.000000 47.98034       27.40093 ?        ?        27.82051 8.902339 ?              ?        
1 1 1 13  27 45 o 39.23981 7.941940 91.45623       29.45602 0.000000       0.000000 91.45623       29.45602 ?        ?        39.23981 7.941940 ?              ?        
1 1 1 13  27 46 o 17.89948 7.760959 6.081465       25.13856 0.000000       0.000000 6.081465       25.13856 ?        ?        17.89948 7.760959 ?              ?        
1 1 1 13  27 47 o 19.73801 8.132576 16.44477       25.37021 0.000000       0.000000 16.44477       25.37021 ?        ?        19.73801 8.132576 ?              ?        
1 1 1 13  28 0  o 167.6962 3.878456 1392.491       63.66317 1358.000       135.5670 1402.249       72.10887 161.7912 8.591178 167.9545 4.389988 -6.163315      9.647815 
1 1 1 13  28 1  o 52.06356 3.751974 134.7913       18.99229 253.4000       62.19276 122.5928       19.94504 69.08707 9.443739 49.54987 4.150412 19.53720       10.31553 
1 1 1 13  28 2  f 48.31932 5.097820 117.8002       23.74781 0.000000       0.000000 117.8002       23.74781 ?        ?        48.31932 5.097820 ?              ?        
1 1 1 13  28 3  o 51.94683 3.936177 134.4187       19.86532 0.000000       0.000000 134.4187       19.86532 ?        ?        51.94683 3.936177 ?              ?        
1 1 1 13  28 4  o 50.62794 4.606281 128.5669       22.57723 206.1000       60.44028 115.9937       24.33909 61.65818 10.38303 47.88238 5.280646 13.77580       11.64872 
1 1 1 13  28 5  o 85.67532 3.217379 362.7532       26.93345 294.7000       67.58369 375.6019       29.36615 74.46559 9.487273 87.11859 3.450562 -12.65300      10.09528 
1 1 1 13  28 6  o 77.63925 3.987021 299.6270       30.19807 262.2000       65.75507 309.6307       33.99509 69.91794 9.883292 78.78835 4.425858 -8.870407      10.82902 
1 1 1 13  28 7  o 41.17814 5.254154 86.16811       20.69582 104.7000       57.20976 83.37776       22.19929 42.80176 12.72365 40.33953 5.787701 2.462234       13.97815 
1 1 1 13  28 8  o 30.50050 5.351213 47.90089       15.39357 20.59000       54.31729 50.28596       16.05166 28.39181 11.81695 31.24305 5.446717 -2.851242      13.01180 
1 1 1 13  28 9  o 27.18766 5.807284 38.57319       14.98474 15.61000       56.13101 40.33531       15.54905 28.02815 11.86002 27.79378 5.898216 0.2343750      13.24572 
1 1 1 13  28 10 o 58.24410 3.524964 168.4701       20.00208 129.0000       61.70799 173.1039       21.14365 47.03598 12.97986 59.00463 3.679206 -11.96865      13.49123 
1 1 1 13  28 11 o 34.44937 4.908835 60.46890       16.08485 11.16000       58.81761 64.45457       16.72229 27.90145 11.98271 35.57949 4.934281 -7.678045      12.95888 
1 1 1 13  28 12 o 119.2361 3.847603 706.2036       44.84719 600.0000       89.29307 742.0313       51.86300 106.7813 8.616222 121.9776 4.350784 -15.19628      9.652389 
1 1 1 13  28 13 o 62.52578 3.793430 194.6836       23.10731 146.8000       64.48313 201.7384       24.75106 49.87660 13.05752 63.59307 3.996496 -13.71648      13.65543 
1 1 1 13  28 14 o 16.69883 6.303238 10.74830       14.07072 -4.948000      58.17683 11.72354       14.50125 25.88865 11.49428 17.14769 6.414541 8.740963       13.16301 
1 1 1 13  28 15 o 30.33697 5.399047 47.63214       15.44458 63.79000       57.91265 46.39497       16.02496 34.89870 12.86311 29.84964 5.692371 5.049061       14.06636 
1 1 1 13  28 16 o 41.71729 5.159354 88.75719       20.61917 24.97000       58.17969 97.91991       22.05042 29.19082 12.19583 43.81725 5.245312 -14.62642      13.27598 
1 1 1 13  28 17 o 62.25248 3.759254 193.2729       22.80006 150.7000       62.65087 199.7720       24.47857 50.30798 12.71805 63.22498 3.975532 -12.91700      13.32493 
1 1 1 13  28 18 o 29.32511 6.477645 45.64407       18.09681 -9.027000      56.40558 51.91733       19.10689 24.87059 11.16063 31.32633 6.446339 -6.455736      12.88856 
1 1 1 13  28 19 o 63.49768 4.832521 203.7968       29.81012 139.8000       61.26653 223.6471       34.12156 48.11985 12.78963 66.32549 5.299902 -18.20564      13.84426 
1 1 1 13  28 20 o 41.25127 4.358267 86.13805       17.33201 -12.05000      56.37855 96.38618       18.21406 24.37443 11.02795 43.67276 4.317208 -19.29833      11.84289 
1 1 1 13  28 21 o 30.05347 5.580003 47.33577       15.81063 34.53000       53.28288 48.57217       16.55630 29.15998 11.87364 30.38739 5.777366 -1.227406      13.20459 
1 1 1 13  28 22 o 28.21633 5.903082 42.24797       15.77901 14.11000       52.86320 45.00011       16.53267 26.24690 11.31699 29.10902 6.001905 -2.862118      12.81004 
1 1 1 13  28 23 f 28.21923 8.383851 44.23507       24.84471 60.15000       52.40734 39.62144       28.21699 32.63998 12.19749 27.02353 9.056867 5.616442       15.19229 
1 1 1 13  28 24 o 20.51850 7.018260 21.19897       16.94869 0.000000       0.000000 21.19897       16.94869 ?        ?        20.51850 7.018260 ?              ?        
1 1 1 13  28 25 f 23.69190 7.189732 30.47621       18.12826 0.000000       0.000000 30.47621       18.12826 ?        ?        23.69190 7.189732 ?              ?        
1 1 1 13  28 26 o 20.30227 7.211136 20.24170       17.98612 0.000000       0.000000 20.24170       17.98612 ?        ?        20.30227 7.211136 ?              ?        
1 1 1 13  28 27 o 37.59606 4.923465 73.34019       17.68343 38.90000       38.21749 82.72238       19.94719 27.23125 10.36293 39.81604 5.245687 -12.58479      11.61497 
1 1 1 13  28 28 o 43.04129 6.479349 99.58736       26.45178 84.37000       39.46511 112.0000       35.64312 37.07058 10.43640 44.34162 8.521718 -7.271034      13.47361 
1 1 1 13  28 29 o 13.77993 6.053457 -1.855630      15.73129 -3.197000      34.72647 -1.509288      17.64572 19.69259 8.802944 14.63885 6.421600 5.053747       10.89627 
1 1 1 13  28 30 o 27.23957 7.230863 41.60703       19.59883 61.69000       34.72738 32.22100       23.74100 31.87914 10.00024 24.28670 8.306382 7.592442       13.00003 
1 1 1 13  28 31 o 45.96852 13.05616 147.4000       61.48730 0.000000       0.000000 147.4000       61.48730 ?        ?        45.96852 13.05616 ?              ?        
1 1 1 13  28 32 o 23.76454 8.655914 30.01069       26.10405 0.000000       0.000000 30.01069       26.10405 ?        ?        23.76454 8.655914 ?              ?        
1 1 1 13  28 33 o 24.36094 8.662443 32.71295       25.96101 0.000000       0.000000 32.71295       25.96101 ?        ?        24.36094 8.662443 ?              ?        
1 1 1 13  28 34 o 32.89160 8.376660 63.95465       27.03794 0.000000       0.000000 63.95465       27.03794 ?        ?        32.89160 8.376660 ?              ?        
1 1 1 13  28 35 o 37.62824 8.004877 82.56863       28.57615 0.000000       0.000000 82.56863       28.57615 ?        ?        37.62824 8.004877 ?              ?        
1 1 1 13  28 36 o 35.59041 8.403737 75.55969       28.80431 0.000000       0.000000 75.55969       28.80431 ?        ?        35.59041 8.403737 ?              ?        
1 1 1 13  28 37 o 43.00610 7.417317 105.4016       30.09603 0.000000       0.000000 105.4016       30.09603 ?        ?        43.00610 7.417317 ?              ?        
1 1 1 13  28 38 o 18.88182 8.070039 8.227660       26.44170 0.000000       0.000000 8.227660       26.44170 ?        ?        18.88182 8.070039 ?              ?        
1 1 1 13  28 39 o 43.78368 8.720029 115.3000       36.05759 0.000000       0.000000 115.3000       36.05759 ?        ?        43.78368 8.720029 ?              ?        
1 1 1 13  28 40 o 27.70928 9.038737 47.34272       28.16211 0.000000       0.000000 47.34272       28.16211 ?        ?        27.70928 9.038737 ?              ?        
1 1 1 13  28 41 o 15.84845 7.943938 -113.2000      52.92770 0.000000       0.000000 -113.2000      52.92770 ?        ?        15.84845 7.943938 ?              ?        
1 1 1 13  28 42 o 21.82268 8.738791 22.72664       28.33135 0.000000       0.000000 22.72664       28.33135 ?        ?        21.82268 8.738791 ?              ?        
1 1 1 13  28 43 o 33.04994 9.011856 68.54182       29.95020 0.000000       0.000000 68.54182       29.95020 ?        ?        33.04994 9.011856 ?              ?        
1 1 1 13  28 44 o 22.60578 8.669645 27.83219       26.88377 0.000000       0.000000 27.83219       26.88377 ?        ?        22.60578 8.669645 ?              ?        
1 1 1 13  28 45 o 11.95670 5.878851 -40.95984      23.99475 0.000000       0.000000 -40.95984      23.99475 ?        ?        11.95670 5.878851 ?              ?        
1 1 1 13  28 46 o 39.15685 7.946084 92.89559       29.41351 0.000000       0.000000 92.89559       29.41351 ?        ?        39.15685 7.946084 ?              ?        
1 1 1 13  29 0  o 48.44267 3.948908 117.1886       18.56225 119.9000       59.84489 116.9000       19.52523 45.42737 12.87325 48.32793 4.168239 -2.900558      13.53126 
1 1 1 13  29 1  o 79.96830 3.314098 316.5849       25.88494 224.2000       67.62434 332.4445       28.01882 63.49186 11.29525 81.89580 3.503375 -18.40393      11.82609 
1 1 1 13  29 2  o 50.98221 3.832912 129.5869       18.98725 108.0000       60.20632 131.9711       20.00830 43.12820 13.10553 51.40799 4.007897 -8.279793      13.70468 
1 1 1 13  29 3  o 50.66135 4.003235 128.1928       19.69030 0.000000       0.000000 128.1928       19.69030 ?        ?        50.66135 4.003235 ?              ?        
1 1 1 13  29 4  o 34.46102 5.336562 60.91360       17.41955 0.000000       0.000000 60.91360       17.41955 ?        ?        34.46102 5.336562 ?              ?        
1 1 1 13  29 5  o 62.96991 4.711445 199.0808       28.82927 0.000000       0.000000 199.0808       28.82927 ?        ?        62.96991 4.711445 ?              ?        
1 1 1 13  29 6  o 73.80189 3.348350 269.9021       24.12525 262.1000       66.65080 271.0785       25.88014 69.42616 10.10419 73.89528 3.588759 -4.469124      10.72258 
1 1 1 13  29 7  o 53.30550 4.671689 142.9544       24.12927 105.2000       60.54713 150.0826       26.30870 42.43391 13.18836 54.52729 4.984294 -12.09338      14.09879 
1 1 1 13  29 8  o 61.78382 4.470818 191.3671       26.85470 190.3000       63.91917 191.5958       29.59321 57.91461 11.67909 61.65895 4.944733 -3.744339      12.68273 
1 1 1 13  29 9  o 14.99348 6.147571 4.520809       14.40538 85.47000       55.51917 -1.322313      14.91623 38.68148 12.69545 13.78973 5.978649 24.89175       14.03277 
1 1 1 13  29 10 o 37.65038 4.619037 71.83595       16.66642 105.3000       57.49077 68.76557       17.41422 42.38744 12.79102 36.72660 4.971704 5.660839       13.72326 
1 1 1 13  29 11 o 83.71303 3.654756 348.2502       29.87513 299.6000       70.53809 358.8846       32.97909 74.13511 9.973372 84.86475 3.981231 -10.72964      10.73864 
1 1 1 13  29 12 o 34.21698 5.539380 60.46852       17.91907 19.99000       60.55419 64.35330       18.75923 28.98977 12.29495 35.29721 5.617695 -6.307447      13.51755 
1 1 1 13  29 13 o 12.57931 5.639038 -5.694959      14.35851 87.87000       57.14165 -12.00093      14.83448 38.87235 12.88506 11.68782 5.422672 27.18453       13.97964 
1 1 1 13  29 14 o 24.87520 7.360570 32.77370       19.18120 76.23000       57.86697 27.40967       20.33058 36.69247 12.94375 23.23769 7.685101 13.45478       15.05329 
1 1 1 13  29 15 o 71.04575 4.133483 252.6401       28.62074 216.0000       65.72410 261.2142       31.79361 61.46978 11.34109 72.08638 4.528772 -10.61660      12.21188 
1 1 1 13  29 16 o 57.20067 3.694100 163.3323       20.57252 92.73000       61.14169 172.3459       21.84631 39.41648 13.33239 58.72416 3.821380 -19.30768      13.86923 
1 1 1 13  29 17 o 50.34956 3.912603 127.1223       19.13145 32.76000       58.64098 138.3623       20.23882 29.85344 12.33857 52.52348 3.965941 -22.67003      12.96029 
1 1 1 13  29 18 o 81.47144 3.388216 330.2884       26.96086 252.4000       68.01689 344.8076       29.36643 66.39812 10.83897 83.15104 3.616739 -16.75291      11.42646 
1 1 1 13  29 19 o 43.61057 4.504809 96.61040       18.95332 61.60000       58.66048 100.6913       20.02752 33.57599 12.82396 44.47139 4.670488 -10.89540      13.64798 
1 1 1 13  29 20 o 36.61948 5.629776 70.02614       19.53434 76.28000       55.45015 69.14002       20.87242 35.63228 12.66099 36.18963 6.109557 -0.5573540     14.05800 
1 1 1 13  29 21 o 54.97437 3.836390 151.9741       20.51423 112.5000       57.30867 157.7755       21.97003 41.97937 12.79230 55.93814 4.039725 -13.95877      13.41500 
1 1 1 13  29 22 o 15.89307 6.292075 8.309726       14.52456 8.555000       50.42339 8.287533       15.16744 24.78277 10.86380 16.10789 6.412773 8.674881       12.61530 
1 1 1 13  29 23 o 37.57040 5.261146 73.59953       18.81821 0.000000       0.000000 73.59953       18.81821 ?        ?        37.57040 5.261146 ?              ?        
1 1 1 13  29 24 o 21.84574 7.004355 25.38173       16.95640 0.000000       0.000000 25.38173       16.95640 ?        ?        21.84574 7.004355 ?              ?        
1 1 1 13  29 25 o 62.24287 4.068601 196.2490       24.65209 0.000000       0.000000 196.2490       24.65209 ?        ?        62.24287 4.068601 ?              ?        
1 1 1 13  29 26 o 15.24915 6.261860 5.691578       14.97485 -6.424000      38.49984 7.851267       16.25483 20.26242 9.145447 16.26311 6.581613 3.999306       11.26751 
1 1 1 13  29 27 o 27.90573 8.173207 44.52444       23.75224 13.46000       36.46864 67.41000       31.30175 22.41633 9.525620 33.70875 9.221724 -11.29242      13.25811 
1 1 1 13  29 28 o 26.76284 6.464896 39.39962       16.74394 75.21000       35.66132 29.27244       18.96431 35.12094 9.932247 23.13167 7.406538 11.98927       12.38977 
1 1 1 13  29 29 o 11.63514 5.524732 -18.32084      17.02137 29.32000       30.98369 -38.91405      20.37068 24.23935 9.304452 10.96416 5.395926 13.27519       10.75587 
1 1 1 13  29 30 o 22.44905 7.394957 27.48221       18.83061 36.74000       26.48488 18.01797       26.77855 25.50437 8.771647 21.14024 8.485508 4.364134       12.20433 
1 1 1 13  29 31 o 70.24228 5.436818 259.0860       37.09010 0.000000       0.000000 259.0860       37.09010 ?        ?        70.24228 5.436818 ?              ?        
1 1 1 13  29 32 o 24.35153 8.545216 33.04560       25.19686 0.000000       0.000000 33.04560       25.19686 ?        ?        24.35153 8.545216 ?              ?        
1 1 1 13  29 33 o 38.20588 7.848287 84.28378       28.36751 0.000000       0.000000 84.28378       28.36751 ?        ?        38.20588 7.848287 ?              ?        
1 1 1 13  29 34 o 64.66552 5.723045 223.3536       35.85120 0.000000       0.000000 223.3536       35.85120 ?        ?        64.66552 5.723045 ?              ?        
1 1 1 13  29 35 o 75.80250 5.451898 304.7517       40.18156 0.000000       0.000000 304.7517       40.18156 ?        ?        75.80250 5.451898 ?              ?        
1 1 1 13  29 36 o 42.96947 7.227939 104.6104       29.32248 0.000000       0.000000 104.6104       29.32248 ?        ?        42.96947 7.227939 ?              ?        
1 1 1 13  29 37 o 19.65693 8.227971 12.65491       26.55536 0.000000       0.000000 12.65491       26.55536 ?        ?        19.65693 8.227971 ?              ?        
1 1 1 13  29 38 o 28.62133 9.669255 51.79000       32.15908 0.000000       0.000000 51.79000       32.15908 ?        ?        28.62133 9.669255 ?              ?        
1 1 1 13  29 39 o 17.95954 7.905160 2.459440       26.94972 0.000000       0.000000 2.459440       26.94972 ?        ?        17.95954 7.905160 ?              ?        
1 1 1 13  29 40 o 30.54574 12.38146 66.16000       57.63032 0.000000       0.000000 66.16000       57.63032 ?        ?        30.54574 12.38146 ?              ?        
1 1 1 13  29 41 o 29.75806 9.175097 56.13901       29.37209 0.000000       0.000000 56.13901       29.37209 ?        ?        29.75806 9.175097 ?              ?        
1 1 1 13  29 42 o 29.14129 8.908567 53.22015       27.76416 0.000000       0.000000 53.22015       27.76416 ?        ?        29.14129 8.908567 ?              ?        
1 1 1 13  29 43 o 47.57317 6.790980 127.9954       30.72639 0.000000       0.000000 127.9954       30.72639 ?        ?        47.57317 6.790980 ?              ?        
1 1 1 13  29 44 o 18.02729 7.771819 7.428082       24.92405 0.000000       0.000000 7.428082       24.92405 ?        ?        18.02729 7.771819 ?              ?        
1 1 1 13  29 45 o 20.81283 8.252981 22.13340       25.02565 0.000000       0.000000 22.13340       25.02565 ?        ?        20.81283 8.252981 ?              ?        
1 1 1 13  30 0  o 41.28864 4.399702 85.95635       17.50757 96.25000       58.52122 84.94450       18.34789 40.61922 13.01128 40.97045 4.657778 -0.3512306     13.81985 
1 1 1 13  30 1  o 84.34291 3.337685 352.5921       27.50057 237.6000       68.35607 374.7985       30.03879 65.14735 11.11818 86.89490 3.539091 -21.74754      11.66787 
1 1 1 13  30 2  o 41.14181 5.317980 86.47775       20.91541 145.0000       59.38514 78.19038       22.34731 49.91493 12.24796 38.84180 6.076915 11.07314       13.67266 
1 1 1 13  30 3  o 63.40034 3.511871 199.7667       21.70882 207.4000       62.03384 198.7014       23.17417 60.99065 10.78552 63.15882 3.765652 -2.168175      11.42399 
1 1 1 13  30 4  o 40.44846 4.531852 82.69424       17.63441 15.68000       55.94930 90.08585       18.58150 27.72483 11.79065 42.22712 4.568204 -14.50229      12.64468 
1 1 1 13  30 5  o 58.74255 3.836994 172.1249       21.94151 0.000000       0.000000 172.1249       21.94151 ?        ?        58.74255 3.836994 ?              ?        
1 1 1 13  30 6  o 57.53979 3.871709 165.2560       21.67913 0.000000       0.000000 165.2560       21.67913 ?        ?        57.53979 3.871709 ?              ?        
1 1 1 13  30 7  o 31.58996 5.588619 51.78423       16.64851 30.82000       57.52832 53.70047       17.39276 29.85688 12.26825 32.13692 5.739783 -2.280035      13.54456 
1 1 1 13  30 8  o 26.06785 7.582341 36.17646       20.50442 59.63000       57.64156 32.77873       21.93945 34.03373 12.77687 25.07093 7.959599 8.962797       15.05336 
1 1 1 13  30 9  o 36.74950 6.381831 70.75731       22.12396 43.73000       57.22025 75.50795       23.98968 31.50062 12.48311 37.86572 6.718534 -6.365093      14.17627 
1 1 1 13  30 10 o 33.66246 5.873672 59.08009       18.65004 39.95000       56.47311 61.42187       19.75860 30.79657 12.33596 34.25631 6.117104 -3.459740      13.76934 
1 1 1 13  30 11 o 75.88332 3.455407 286.2391       25.59827 191.8000       65.30560 303.3834       27.82496 57.31173 12.02546 78.05738 3.651909 -20.74565      12.56774 
1 1 1 13  30 12 o 17.89211 6.700812 13.05907       15.83396 -0.1776000     56.62908 14.18169       16.49175 25.75650 11.39281 18.41497 6.850101 7.341528       13.29361 
1 1 1 13  30 13 o 30.86387 7.181690 51.28461       21.28697 65.31000       59.71507 49.24288       22.78376 34.72150 13.01100 30.10598 7.701348 4.615524       15.11942 
1 1 1 13  30 14 o 93.38034 3.440969 433.6700       31.39779 375.0000       75.59289 445.9019       34.51596 82.59639 9.524250 94.55549 3.736654 -11.95910      10.23103 
1 1 1 13  30 15 o 28.04372 6.224539 41.88859       16.64030 75.67000       58.23195 38.88477       17.36437 35.98515 12.95297 26.90640 6.635454 9.078751       14.55365 
1 1 1 13  30 16 o 78.26642 3.431115 305.2309       26.22167 323.1000       69.21142 302.2362       28.33389 76.29317 9.471291 77.75370 3.733790 -1.460526      10.18069 
1 1 1 13  30 17 f 19.81832 6.565775 19.83465       14.83772 60.65000       56.70113 16.83423       15.37342 33.11661 12.61779 18.87214 6.670329 14.24447       14.27242 
1 1 1 13  30 18 o 77.85921 3.415518 302.5519       25.96658 213.0000       65.16257 319.4565       28.31153 59.56724 11.59323 79.90952 3.629056 -20.34228      12.14796 
1 1 1 13  30 19 o 52.77784 3.933345 140.4520       20.17371 55.85000       59.22870 151.5550       21.45670 32.12899 12.71038 54.79573 4.028622 -22.66674      13.33355 
1 1 1 13  30 20 o 33.18491 7.966967 61.82774       25.55043 8.718000       53.59327 77.44958       29.06627 25.24716 11.12899 37.09244 8.221744 -11.84527      13.83660 
1 1 1 13  30 21 o 55.87701 4.419535 159.0179       23.97548 0.000000       0.000000 159.0179       23.97548 ?        ?        55.87701 4.419535 ?              ?        
1 1 1 13  30 22 o 29.79769 6.186875 47.94437       17.45414 75.12000       47.82767 43.76905       18.74710 34.57971 11.79055 28.19288 6.859654 6.386829       13.64082 
1 1 1 13  30 23 o 42.73523 4.301560 93.35490       17.74907 53.73000       47.56887 99.76379       19.13066 30.48388 11.57068 44.10692 4.493858 -13.62304      12.41271 
1 1 1 13  30 24 o 53.61290 4.297777 146.6052       22.36502 0.000000       0.000000 146.6052       22.36502 ?        ?        53.61290 4.297777 ?              ?        
1 1 1 13  30 25 o 20.62476 7.211587 21.68684       17.93556 0.000000       0.000000 21.68684       17.93556 ?        ?        20.62476 7.211587 ?              ?        
1 1 1 13  30 26 o 24.69559 8.119341 33.90723       22.70454 15.13000       33.51723 49.83000       30.86467 22.04642 9.237050 29.06456 9.461251 -7.018139      13.22265 
1 1 1 13  30 27 o 60.81984 4.421262 189.4236       26.14098 135.9000       39.30047 231.8950       35.00851 48.61501 8.572029 66.60779 5.416310 -17.99278      10.13983 
1 1 1 13  30 28 o 47.51096 4.656445 116.7414       21.37702 73.17000       33.70197 146.0722       27.65138 34.58458 9.611031 52.69825 5.438649 -18.11367      11.04313 
1 1 1 13  30 29 f 34.20974 4.872188 61.37140       15.85414 39.47000       28.61769 71.06979       19.04359 26.19921 9.112741 36.54601 5.493366 -10.34680      10.64045 
1 1 1 13  30 30 o 22.81983 8.580951 26.64471       26.02189 0.000000       0.000000 26.64471       26.02189 ?        ?        22.81983 8.580951 ?              ?        
1 1 1 13  30 31 o 18.52368 7.862076 7.833204       24.79253 0.000000       0.000000 7.833204       24.79253 ?        ?        18.52368 7.862076 ?              ?        
1 1 1 13  30 32 o 48.61494 6.661170 130.4617       30.86496 0.000000       0.000000 130.4617       30.86496 ?        ?        48.61494 6.661170 ?              ?        
1 1 1 13  30 33 o 46.15712 6.868546 118.8030       30.08794 0.000000       0.000000 118.8030       30.08794 ?        ?        46.15712 6.868546 ?              ?        
1 1 1 13  30 34 o 41.04518 7.515312 96.87350       29.08130 0.000000       0.000000 96.87350       29.08130 ?        ?        41.04518 7.515312 ?              ?        
1 1 1 13  30 35 o 31.13423 8.770535 59.43945       27.86287 0.000000       0.000000 59.43945       27.86287 ?        ?        31.13423 8.770535 ?              ?        
1 1 1 13  30 36 o 21.02328 8.518911 19.25104       27.27202 0.000000       0.000000 19.25104       27.27202 ?        ?        21.02328 8.518911 ?              ?        
1 1 1 13  30 37 o 25.24526 9.403414 37.51000       31.09727 0.000000       0.000000 37.51000       31.09727 ?        ?        25.24526 9.403414 ?              ?        
1 1 1 13  30 38 o 16.73711 7.524310 -3.333892      25.76650 0.000000       0.000000 -3.333892      25.76650 ?        ?        16.73711 7.524310 ?              ?        
1 1 1 13  30 39 o 22.56124 10.48029 -4.829000      55.67044 0.000000       0.000000 -4.829000      55.67044 ?        ?        22.56124 10.48029 ?              ?        
1 1 1 13  30 40 o 33.63698 8.976580 71.14120       30.10426 0.000000       0.000000 71.14120       30.10426 ?        ?        33.63698 8.976580 ?              ?        
1 1 1 13  30 41 o 47.05044 7.126085 126.3103       31.79238 0.000000       0.000000 126.3103       31.79238 ?        ?        47.05044 7.126085 ?              ?        
1 1 1 13  30 42 f 37.29191 8.212349 84.51317       29.16484 0.000000       0.000000 84.51317       29.16484 ?        ?        37.29191 8.212349 ?              ?        
1 1 1 13  30 43 o 23.13613 8.726682 31.16587       26.95915 0.000000       0.000000 31.16587       26.95915 ?        ?        23.13613 8.726682 ?              ?        
1 1 1 13  30 44 o 20.87774 8.332761 22.26118       25.67340 0.000000       0.000000 22.26118       25.67340 ?        ?        20.87774 8.332761 ?              ?        
1 1 1 13  31 0  o 36.76413 4.865120 68.99059       17.07818 116.0000       57.56707 64.45399       17.88326 44.01873 12.67538 35.37081 5.330745 8.647915       13.75071 
1 1 1 13  31 1  o 32.73666 5.495604 55.55604       16.98646 10.22000       57.46708 59.89632       17.78099 27.12286 11.74724 34.00735 5.531599 -6.884487      12.98446 
1 1 1 13  31 2  o 36.82765 5.108068 69.51965       17.91842 8.943000       57.73489 75.97640       18.84919 27.01495 11.73707 38.52141 5.126136 -11.50646      12.80766 
1 1 1 13  31 3  o 51.39990 3.963604 132.3655       19.78762 155.7000       60.87145 129.6084       20.92402 51.29453 12.28574 50.77130 4.249315 0.5232315      12.99985 
1 1 1 13  31 4  o 62.77435 3.617895 196.3895       22.13608 137.0000       62.06319 205.0459       23.69446 47.56924 12.97349 64.09041 3.793980 -16.52117      13.51687 
1 1 1 13  31 5  o 29.58699 5.942161 46.02315       16.61064 -58.66000      55.71923 56.23395       17.40190 20.57173 9.831481 32.89189 5.605905 -12.32016      11.31743 
1 1 1 13  31 6  o 17.72676 6.735562 12.23037       16.12985 0.000000       0.000000 12.23037       16.12985 ?        ?        17.72676 6.735562 ?              ?        
1 1 1 13  31 7  o 89.60988 4.714357 404.4185       41.20539 0.000000       0.000000 404.4185       41.20539 ?        ?        89.60988 4.714357 ?              ?        
1 1 1 13  31 8  o 72.87310 3.889048 265.3544       27.64019 168.8000       65.40592 286.3466       30.49721 52.88885 12.77825 75.60753 4.136629 -22.71868      13.43113 
1 1 1 13  31 9  o 35.45168 7.513092 67.88350       25.26021 32.26000       56.48196 76.79000       28.24197 29.48801 12.14057 37.58390 7.926796 -8.095894      14.49923 
1 1 1 13  31 10 o 32.92788 7.230192 58.51052       22.66388 9.325000       55.69278 68.27245       24.81123 26.43532 11.50595 35.57454 7.367910 -9.139219      13.66284 
1 1 1 13  31 11 o 71.87793 4.331697 260.0296       30.33470 244.7000       64.03973 264.4642       34.44409 65.77123 10.28392 72.21349 4.901987 -6.442253      11.39248 
1 1 1 13  31 12 f 48.77384 5.370895 122.3204       25.21734 -11.59000      58.67150 152.6634       27.92861 24.66931 11.19662 54.57962 5.294138 -29.91031      12.38516 
1 1 1 13  31 13 o 45.68854 4.427870 105.9160       19.55401 92.45000       60.77173 107.4711       20.65228 38.51975 13.28560 45.94066 4.656927 -7.420906      14.07814 
1 1 1 13  31 14 o 33.83172 5.614788 59.97143       17.94208 -70.23000      58.93221 73.27293       18.83628 20.20759 9.772186 37.60825 5.260593 -17.40066      11.09817 
1 1 1 13  31 15 o 36.79869 5.136707 70.14214       17.99872 113.0000       58.99290 65.74319       18.89986 41.89536 13.01750 35.41012 5.642031 6.485237       14.18760 
1 1 1 13  31 16 o 37.02539 5.122754 71.08949       18.06877 39.01000       55.77953 74.85027       19.09855 29.45629 12.08945 37.94115 5.285933 -8.484859      13.19454 
1 1 1 13  31 17 o 16.38799 6.478971 9.093651       15.38046 -9.452000      54.62726 10.69038       16.02890 23.58993 10.74461 17.04376 6.651258 6.546164       12.63669 
1 1 1 13  31 18 o 13.05720 6.186240 -21.69029      21.11280 24.99000       54.21496 -30.03505      22.92235 27.12684 11.57366 12.87302 6.192435 14.25382       13.12615 
1 1 1 13  31 19 o 33.05374 5.591264 57.79058       17.44553 0.000000       0.000000 57.79058       17.44553 ?        ?        33.05374 5.591264 ?              ?        
1 1 1 13  31 20 o 69.32877 3.547951 241.3952       23.99665 113.8000       54.18696 272.5233       26.76417 41.58125 12.38837 73.57690 3.728413 -31.99566      12.93726 
1 1 1 13  31 21 o 50.20626 3.922641 127.7599       19.12422 89.95000       48.18100 134.8309       20.83587 37.28510 11.79035 51.47054 4.171396 -14.18544      12.50651 
1 1 1 13  31 22 o 58.39630 3.633408 171.9042       20.66564 104.7000       47.72829 187.4105       22.92613 40.32557 11.51933 60.86573 3.868162 -20.54016      12.15145 
1 1 1 13  31 23 o 17.00974 6.656947 10.95377       16.09395 0.000000       0.000000 10.95377       16.09395 ?        ?        17.00974 6.656947 ?              ?        
1 1 1 13  31 24 o 60.11921 5.666162 190.1000       32.95006 0.000000       0.000000 190.1000       32.95006 ?        ?        60.11921 5.666162 ?              ?        
1 1 1 13  31 25 o 12.94217 5.847985 -6.112373      15.79353 0.000000       0.000000 -6.112373      15.79353 ?        ?        12.94217 5.847985 ?              ?        
1 1 1 13  31 26 o 59.27328 5.976827 187.1728       34.20348 167.9000       39.71645 242.5000       67.29255 54.78737 7.611271 61.34935 11.63155 -6.561981      13.90051 
1 1 1 13  31 27 o 62.75667 4.007942 200.5874       24.49130 158.1000       38.19324 230.2591       31.91737 53.13470 7.556238 66.60189 4.930892 -13.46719      9.022773 
1 1 1 13  31 28 o 18.27114 6.389006 16.82427       14.07744 37.33000       26.09344 8.405440       16.71935 25.48459 8.708398 16.39593 6.660493 9.088655       10.96350 
1 1 1 13  31 29 o 11.97933 5.211168 -0.5620100     11.41114 24.71000       17.60971 -18.85548      14.98237 21.33687 7.154870 10.54672 5.055845 10.79015       8.760921 
1 1 1 13  31 30 o 19.08180 8.004662 10.60507       25.21721 0.000000       0.000000 10.60507       25.21721 ?        ?        19.08180 8.004662 ?              ?        
1 1 1 13  31 31 o 28.91834 8.680113 50.87784       26.52674 0.000000       0.000000 50.87784       26.52674 ?        ?        28.91834 8.680113 ?              ?        
1 1 1 13  31 32 o 25.67254 8.761489 39.31220       26.41095 0.000000       0.000000 39.31220       26.41095 ?        ?        25.67254 8.761489 ?              ?        
1 1 1 13  31 33 o 39.70314 7.766948 91.77432       29.10275 0.000000       0.000000 91.77432       29.10275 ?        ?        39.70314 7.766948 ?              ?        
1 1 1 13  31 34 o 20.49235 8.396528 16.88176       26.85014 0.000000       0.000000 16.88176       26.85014 ?        ?        20.49235 8.396528 ?              ?        
1 1 1 13  31 35 o 21.70438 8.650558 22.45009       27.63054 0.000000       0.000000 22.45009       27.63054 ?        ?        21.70438 8.650558 ?              ?        
1 1 1 13  31 36 o 25.42156 9.448007 38.54000       31.35951 0.000000       0.000000 38.54000       31.35951 ?        ?        25.42156 9.448007 ?              ?        
1 1 1 13  31 37 o 20.64636 8.599561 16.31662       28.79673 0.000000       0.000000 16.31662       28.79673 ?        ?        20.64636 8.599561 ?              ?        
1 1 1 13  31 38 o 26.34041 9.160821 42.85841       28.92006 0.000000       0.000000 42.85841       28.92006 ?        ?        26.34041 9.160821 ?              ?        
1 1 1 13  31 39 o 22.76550 8.844464 27.91665       28.24236 0.000000       0.000000 27.91665       28.24236 ?        ?        22.76550 8.844464 ?              ?        
1 1 1 13  31 40 o 22.23828 8.697671 25.99511       27.45931 0.000000       0.000000 25.99511       27.45931 ?        ?        22.23828 8.697671 ?              ?        
1 1 1 13  31 41 o 26.23756 8.951164 43.41832       27.56642 0.000000       0.000000 43.41832       27.56642 ?        ?        26.23756 8.951164 ?              ?        
1 1 1 13  31 42 o 30.10319 8.848972 58.53497       27.79898 0.000000       0.000000 58.53497       27.79898 ?        ?        30.10319 8.848972 ?              ?        
1 1 1 13  31 43 o 45.21723 7.204094 119.9044       30.81629 0.000000       0.000000 119.9044       30.81629 ?        ?        45.21723 7.204094 ?              ?        
1 1 1 13  32 0  o 72.24947 3.461282 259.9758       24.40691 256.0000       66.81844 260.5880       26.21860 67.25067 10.49309 72.23789 3.720521 -4.987221      11.13316 
1 1 1 13  32 1  o 27.28800 6.363667 39.75371       16.68369 -49.51000      58.75791 47.58138       17.39984 21.74163 10.30645 29.97192 6.137668 -8.230282      11.99558 
1 1 1 13  32 2  o 22.51056 6.807708 26.68605       16.27248 13.07000       57.89807 27.85384       16.95593 27.19718 11.78528 22.96776 6.949891 4.229414       13.68188 
1 1 1 13  32 3  o 64.09798 3.600432 205.1173       22.49862 172.8000       65.58823 209.4271       23.95190 53.15527 12.76662 64.69828 3.798886 -11.54301      13.31984 
1 1 1 13  32 4  o 25.89840 6.579314 36.00103       16.70891 43.16000       58.38811 35.36246       17.43819 30.97582 12.49605 25.63571 6.827781 5.340113       14.23973 
1 1 1 13  32 5  o 44.90381 4.395715 102.1551       19.07331 123.5000       60.25035 99.77776       20.10744 44.44920 13.01692 44.26212 4.713491 0.1870766      13.84403 
1 1 1 13  32 6  o 24.04405 6.711930 30.99520       16.39656 -6.137000      55.68183 34.52071       17.15730 24.60675 11.06170 25.31376 6.786319 -0.7070103     12.97749 
1 1 1 13  32 7  o 29.48465 6.882993 47.00534       19.50155 0.000000       0.000000 47.00534       19.50155 ?        ?        29.48465 6.882993 ?              ?        
1 1 1 13  32 8  o 34.99759 5.676733 64.08516       18.78089 0.000000       0.000000 64.08516       18.78089 ?        ?        34.99759 5.676733 ?              ?        
1 1 1 13  32 9  o 18.93095 6.927199 16.10369       16.74685 -6.230000      53.55978 18.52377       17.63087 24.04128 10.82465 19.86389 7.130140 4.177395       12.96194 
1 1 1 13  32 10 o 23.34053 9.711200 15.82631       36.66547 8.176000       53.65212 22.53000       50.22316 25.51953 11.19592 26.71108 11.25624 -1.191557      15.87613 
1 1 1 13  32 11 o 29.21377 10.60472 46.38480       39.13557 26.29000       57.18304 64.09000       53.67545 28.09221 11.93239 33.22005 12.35796 -5.127836      17.17851 
1 1 1 13  32 12 o 51.89248 4.076232 136.1119       20.53864 82.08000       59.16649 143.5149       21.90050 36.17299 13.05183 53.22519 4.238679 -17.05220      13.72285 
1 1 1 13  32 13 o 14.84370 6.327173 1.812138       16.17640 16.95000       54.22915 0.3335897      16.94799 26.33409 11.40854 14.82969 6.401105 11.50439       13.08163 
1 1 1 13  32 14 o 33.96404 5.616199 60.89995       18.01904 31.30000       53.37001 64.70817       19.14311 27.86055 11.66334 34.95191 5.798570 -7.091358      13.02524 
1 1 1 13  32 15 o 37.37295 5.372968 73.15647       19.09097 -27.28000      51.60098 89.08443       20.54908 21.27630 9.951820 41.38837 5.185859 -20.11207      11.22194 
1 1 1 13  32 16 o 74.39919 4.601158 282.4625       33.34351 146.7000       57.40691 351.5814       40.96120 47.68107 12.23909 82.66399 5.086966 -34.98292      13.25415 
1 1 1 13  32 17 o 62.28618 3.814130 195.7941       23.14227 32.41000       55.75101 229.8074       25.43734 28.01963 11.83631 67.46828 3.868030 -39.44866      12.45231 
1 1 1 13  32 18 o 58.93632 3.698720 175.1814       21.22977 122.7000       51.80807 185.7723       23.27352 43.54752 11.84363 60.57541 3.946668 -17.02788      12.48390 
1 1 1 13  32 19 o 38.13992 4.725525 75.36645       17.26445 44.57000       44.48054 80.82878       18.73307 28.51204 11.09324 39.40512 4.966915 -10.89308      12.15443 
1 1 1 13  32 20 o 24.82380 6.320884 33.80854       15.39716 41.94000       42.10932 32.55359       16.54269 27.83187 10.80330 24.27337 6.729045 3.558500       12.72758 
1 1 1 13  32 21 o 19.06910 6.501385 18.58442       14.54190 15.91000       38.49551 19.02959       15.70560 23.04807 9.790131 19.39730 6.750617 3.650776       11.89191 
1 1 1 13  32 22 o 39.71819 4.378958 81.20735       16.74197 78.91000       38.87126 81.73058       18.55079 35.46378 10.47424 39.61414 4.887704 -4.150356      11.55852 
1 1 1 13  32 23 o 15.21238 6.370392 4.455086       15.92905 0.000000       0.000000 4.455086       15.92905 ?        ?        15.21238 6.370392 ?              ?        
1 1 1 13  32 24 o 14.79911 6.290852 2.848640       15.91482 0.000000       0.000000 2.848640       15.91482 ?        ?        14.79911 6.290852 ?              ?        
1 1 1 13  32 25 o 54.25784 7.238693 163.4000       37.48576 163.4000       37.48576 0.000000       0.000000 54.25784 7.238693 ?        ?        ?              ?        
1 1 1 13  32 26 o 29.38523 8.518100 51.38974       25.91777 41.29000       28.94773 92.20000       58.18942 26.52183 9.168338 35.57817 12.92876 -9.056339      15.84965 
1 1 1 13  32 27 o 55.34674 3.450667 154.8591       18.60097 104.3000       31.80008 181.1548       22.93356 42.57142 7.922886 59.58634 3.954420 -17.01492      8.854918 
1 1 1 13  32 28 o 40.48362 3.879142 83.99495       15.18384 78.98000       25.21082 86.84949       19.02048 37.34961 7.156388 40.65820 4.876518 -3.308590      8.659926 
1 1 1 13  32 29 o 21.47163 8.472583 21.80909       26.25643 0.000000       0.000000 21.80909       26.25643 ?        ?        21.47163 8.472583 ?              ?        
1 1 1 13  32 30 o 62.00418 5.747157 206.5645       34.48336 0.000000       0.000000 206.5645       34.48336 ?        ?        62.00418 5.747157 ?              ?        
1 1 1 13  32 31 o 50.71270 6.548234 142.4156       31.74679 0.000000       0.000000 142.4156       31.74679 ?        ?        50.71270 6.548234 ?              ?        
1 1 1 13  32 32 o 45.22475 7.129881 115.8230       30.51779 0.000000       0.000000 115.8230       30.51779 ?        ?        45.22475 7.129881 ?              ?        
1 1 1 13  32 33 o 17.48737 7.769403 0.2272335      26.62509 0.000000       0.000000 0.2272335      26.62509 ?        ?        17.48737 7.769403 ?              ?        
1 1 1 13  32 34 o 15.47972 7.284504 -19.37000      28.37488 0.000000       0.000000 -19.37000      28.37488 ?        ?        15.47972 7.284504 ?              ?        
1 1 1 13  32 35 o 29.57535 9.107715 55.25005       28.95283 0.000000       0.000000 55.25005       28.95283 ?        ?        29.57535 9.107715 ?              ?        
1 1 1 13  32 36 o 32.92149 12.82170 85.42000       59.46878 0.000000       0.000000 85.42000       59.46878 ?        ?        32.92149 12.82170 ?              ?        
1 1 1 13  32 37 o 68.43013 5.934199 255.1180       39.35550 0.000000       0.000000 255.1180       39.35550 ?        ?        68.43013 5.934199 ?              ?        
1 1 1 13  32 38 o 45.39278 7.382294 119.2639       31.67476 0.000000       0.000000 119.2639       31.67476 ?        ?        45.39278 7.382294 ?              ?        
1 1 1 13  32 39 o 18.70395 8.112194 7.769156       27.48220 0.000000       0.000000 7.769156       27.48220 ?        ?        18.70395 8.112194 ?              ?        
1 1 1 13  32 40 o 17.93086 7.764225 6.895061       25.09200 0.000000       0.000000 6.895061       25.09200 ?        ?        17.93086 7.764225 ?              ?        
1 1 1 13  32 41 o 28.17505 8.878089 51.70505       27.34112 0.000000       0.000000 51.70505       27.34112 ?        ?        28.17505 8.878089 ?              ?        
1 1 1 13  32 42 o 24.45273 8.726566 37.65957       26.36956 0.000000       0.000000 37.65957       26.36956 ?        ?        24.45273 8.726566 ?              ?        
1 1 1 13  33 0  o 15.23374 6.344925 4.108393       15.67564 -65.45000      54.37992 10.41213       16.37054 19.43635 9.396295 17.13461 6.711523 2.301741       11.54707 
1 1 1 13  33 1  f 26.90258 6.486718 39.11063       16.88115 -23.27000      55.57912 45.45028       17.71820 22.76743 10.53987 29.06009 6.402112 -6.292660      12.33191 
1 1 1 13  33 2  o 40.16762 4.840697 82.89024       18.64901 103.7000       59.20015 80.59767       19.64944 40.14479 13.10563 39.45398 5.215704 0.6908035      14.10536 
1 1 1 13  33 3  o 19.91458 6.927420 19.47625       16.53806 -39.41000      55.98711 25.10560       17.31052 21.52880 10.16210 21.89585 7.082321 -0.3670502     12.38659 
1 1 1 13  33 4  o 35.95204 5.357956 67.37694       18.28011 52.45000       57.86261 69.03194       19.26687 31.60207 12.54346 36.29963 5.602662 -4.697563      13.73784 
1 1 1 13  33 5  o 57.12196 4.297477 165.3001       23.85210 100.2000       59.17244 177.9301       26.06336 39.33905 13.11415 59.16277 4.535232 -19.82372      13.87621 
1 1 1 13  33 6  o 30.14182 6.687770 49.32339       19.21534 -40.99000      54.81203 61.97792       20.51743 21.09060 9.985013 34.00227 6.399432 -12.91167      11.85973 
1 1 1 13  33 7  o 34.16255 5.666726 61.51065       18.28544 24.28000       53.90638 66.35146       19.43788 27.21087 11.57278 35.45101 5.802158 -8.240137      12.94582 
1 1 1 13  33 8  o 48.64152 6.154994 124.8596       28.64991 0.000000       0.000000 124.8596       28.64991 ?        ?        48.64152 6.154994 ?              ?        
1 1 1 13  33 9  o 94.01054 4.917728 452.0905       45.09564 0.000000       0.000000 452.0905       45.09564 ?        ?        94.01054 4.917728 ?              ?        
1 1 1 13  33 10 f 22.27749 7.279744 26.39887       18.26370 1.526000       54.41899 29.55606       19.38822 24.46531 10.97183 23.37850 7.489194 1.086809       13.28417 
1 1 1 13  33 11 o 47.67926 5.640368 119.1248       25.81434 56.25000       56.31359 135.8518       29.04586 31.43600 12.40696 50.76513 5.958679 -19.32913      13.76367 
1 1 1 13  33 12 o 19.51370 7.730772 14.38515       21.94005 25.04000       51.25603 11.99497       24.27652 26.58021 11.29389 19.56239 7.996071 7.017822       13.83796 
1 1 1 13  33 13 o 20.60346 7.169894 21.53633       17.71696 1.880000       49.99025 24.35993       18.94678 23.60370 10.55581 21.64561 7.419948 1.958092       12.90274 
1 1 1 13  33 14 o 52.95915 5.432951 146.3852       27.76440 146.1000       53.61208 146.4898       32.45568 48.03400 11.54602 52.31580 6.476150 -4.281807      13.23824 
1 1 1 13  33 15 o 24.75343 7.108273 34.00424       18.12788 22.74000       47.51660 35.92299       19.61115 25.57370 10.87046 25.35904 7.426439 0.2146587      13.16506 
1 1 1 13  33 16 o 28.82821 6.904713 46.19798       19.22667 0.000000       0.000000 46.19798       19.22667 ?        ?        28.82821 6.904713 ?              ?        
1 1 1 13  33 17 f 50.26161 4.199231 128.9525       20.47052 98.44000       46.64252 136.2319       22.78185 38.94363 11.46613 51.47837 4.568642 -12.53474      12.34280 
1 1 1 13  33 18 o 35.04626 5.149006 64.60084       17.13702 94.08000       42.81805 58.97810       18.70006 38.42837 10.88871 33.06258 5.999172 5.365788       12.43198 
1 1 1 13  33 19 o 34.61986 5.111467 63.03526       16.80088 87.74000       40.46217 57.88852       18.46821 37.28405 10.59181 32.74589 5.982219 4.538155       12.16443 
1 1 1 13  33 20 o 12.52292 5.602958 -4.184921      14.10171 -6.298000      35.46348 -3.788054      15.36902 19.32676 8.745071 13.18149 5.876738 6.145267       10.53624 
1 1 1 13  33 21 o 16.43070 6.347430 10.81080       14.48467 12.69000       34.81157 10.41734       15.92904 21.72128 9.270950 16.73703 6.600805 4.984257       11.38074 
1 1 1 13  33 22 o 15.39453 6.021760 8.836395       13.16365 26.53000       33.62942 5.634855       14.30509 23.79283 9.523209 14.87070 6.114818 8.922128       11.31735 
1 1 1 13  33 23 o 20.62806 6.704508 22.99601       15.50205 0.000000       0.000000 22.99601       15.50205 ?        ?        20.62806 6.704508 ?              ?        
1 1 1 13  33 24 o 28.25852 7.409877 45.91108       20.74393 0.000000       0.000000 45.91108       20.74393 ?        ?        28.25852 7.409877 ?              ?        
1 1 1 13  33 25 o 22.19740 7.466843 27.18190       19.17777 22.00000       27.19689 32.30671       27.04667 21.81234 8.618010 24.14011 8.808049 -2.327768      12.32282 
1 1 1 13  33 26 o 25.09325 5.892730 34.77797       14.22519 25.03000       25.81289 39.02965       17.04746 22.19811 8.499764 26.28389 6.628391 -4.085775      10.77876 
1 1 1 13  33 27 f 16.86338 6.126902 13.70839       13.06729 25.94000       21.70027 6.749829       16.36753 21.88031 7.903078 15.74360 6.513869 6.136714       10.24154 
1 1 1 13  33 28 o 16.54661 5.859585 13.55177       11.86809 3.738000       16.61066 23.78617       16.96291 15.10385 6.423890 20.81738 7.022504 -5.713530      9.517454 
1 1 1 13  33 29 o 22.52829 8.545789 27.18171       25.93877 0.000000       0.000000 27.18171       25.93877 ?        ?        22.52829 8.545789 ?              ?        
1 1 1 13  33 30 o 36.66954 8.235019 80.45198       28.83322 0.000000       0.000000 80.45198       28.83322 ?        ?        36.66954 8.235019 ?              ?        
1 1 1 13  33 31 o 38.56769 8.371280 89.66405       30.69368 0.000000       0.000000 89.66405       30.69368 ?        ?        38.56769 8.371280 ?              ?        
1 1 1 13  33 32 o 49.80590 6.899801 139.7540       32.73512 0.000000       0.000000 139.7540       32.73512 ?        ?        49.80590 6.899801 ?              ?        
1 1 1 13  33 33 o 21.78267 9.009558 20.70000       31.29800 0.000000       0.000000 20.70000       31.29800 ?        ?        21.78267 9.009558 ?              ?        
1 1 1 13  33 34 o 16.29329 7.464260 -8.353284      26.86487 0.000000       0.000000 -8.353284      26.86487 ?        ?        16.29329 7.464260 ?              ?        
1 1 1 13  33 35 o 30.66825 12.59348 70.86000       60.56838 0.000000       0.000000 70.86000       60.56838 ?        ?        30.66825 12.59348 ?              ?        
1 1 1 13  33 36 o 67.54675 5.774667 247.7686       37.81427 0.000000       0.000000 247.7686       37.81427 ?        ?        67.54675 5.774667 ?              ?        
1 1 1 13  33 37 o 24.92976 8.902298 37.85194       27.44653 0.000000       0.000000 37.85194       27.44653 ?        ?        24.92976 8.902298 ?              ?        
1 1 1 13  33 38 o 29.12693 9.006932 54.79736       28.28069 0.000000       0.000000 54.79736       28.28069 ?        ?        29.12693 9.006932 ?              ?        
1 1 1 13  33 39 o 17.55787 7.707401 4.505153       25.45928 0.000000       0.000000 4.505153       25.45928 ?        ?        17.55787 7.707401 ?              ?        
1 1 1 13  33 40 o 21.77420 8.492502 26.54590       26.11980 0.000000       0.000000 26.54590       26.11980 ?        ?        21.77420 8.492502 ?              ?        
1 1 1 13  33 41 o 24.82012 8.801167 39.83960       26.78250 0.000000       0.000000 39.83960       26.78250 ?        ?        24.82012 8.801167 ?              ?        
1 1 1 13  34 0  o 45.42387 4.546539 105.7718       19.94349 64.69000       56.62400 111.5898       21.30894 32.71185 12.57281 46.57764 4.739848 -13.86578      13.43658 
1 1 1 13  34 1  o 19.11913 7.002011 17.01011       17.11610 3.568000       53.37447 18.55088       18.07044 24.44435 10.92124 19.77180 7.201804 4.672550       13.08202 
1 1 1 13  34 2  o 70.12993 3.617572 247.1843       24.74893 190.0000       62.58686 257.7835       26.94510 54.78347 12.00393 71.48990 3.864976 -16.70643      12.61081 
1 1 1 13  34 3  o 35.01142 5.669497 64.90175       18.76560 11.21000       53.96475 72.28732       20.01468 25.34032 11.16888 36.96577 5.715720 -11.62545      12.54645 
1 1 1 13  34 4  o 60.85987 4.228164 188.1807       25.03112 103.0000       57.21391 208.3443       27.83653 39.16043 12.88957 63.91067 4.478088 -24.75024      13.64530 
1 1 1 13  34 5  o 26.49316 7.163721 38.99976       19.01945 -1.919000      51.31963 45.51480       20.47768 23.46290 10.57724 28.55828 7.298964 -5.095379      12.85118 
1 1 1 13  34 6  o 17.68286 6.825836 12.49308       16.74088 50.14000       51.04411 7.955575       17.72105 30.07278 11.82962 16.77906 6.841803 13.29373       13.66566 
1 1 1 13  34 7  f 19.23018 7.926383 10.68438       24.11233 36.82000       50.18462 2.839956       27.49380 27.99874 11.47649 18.71423 8.115293 9.284515       14.05588 
1 1 1 13  34 8  o 25.73023 8.504764 36.91051       24.89966 -54.71000      48.63249 69.46063       28.98721 18.45915 8.914568 34.65164 8.589579 -16.19249      12.37943 
1 1 1 13  34 9  o 50.24668 4.623775 129.7017       22.48621 0.000000       0.000000 129.7017       22.48621 ?        ?        50.24668 4.623775 ?              ?        
1 1 1 13  34 10 o 57.72073 4.438976 170.3672       24.88711 0.000000       0.000000 170.3672       24.88711 ?        ?        57.72073 4.438976 ?              ?        
1 1 1 13  34 11 o 24.40475 7.319960 33.09933       18.86987 44.18000       47.88609 31.06241       20.53113 28.67062 11.40091 23.77336 7.714936 4.897259       13.76594 
1 1 1 13  34 12 o 27.73715 8.125575 44.14922       23.47403 0.5644000      47.92685 57.90477       26.92467 22.85694 10.26985 31.50156 8.525764 -8.644615      13.34760 
1 1 1 13  34 13 f 24.11035 8.231941 31.84160       23.31533 -1.781000      47.61048 42.44855       26.74128 22.53652 10.17116 27.14311 8.804462 -4.606594      13.45255 
1 1 1 13  34 14 o 43.42626 5.381207 99.17172       22.38475 0.000000       0.000000 99.17172       22.38475 ?        ?        43.42626 5.381207 ?              ?        
1 1 1 13  34 15 o 40.03144 5.121238 83.98779       19.60802 85.25000       45.37173 83.69791       21.74332 36.05736 11.44632 39.61820 5.776866 -3.560841      12.82148 
1 1 1 13  34 16 o 70.27228 4.081642 251.2680       27.95451 0.000000       0.000000 251.2680       27.95451 ?        ?        70.27228 4.081642 ?              ?        
1 1 1 13  34 17 o 44.50640 4.471598 102.1375       19.21643 75.03000       41.66230 109.4629       21.65784 34.10431 10.98352 45.86073 4.900535 -11.75642      12.02717 
1 1 1 13  34 18 o 20.38093 6.825654 22.02795       16.02699 26.45000       37.49366 21.03931       17.72829 24.35475 9.943922 20.26119 7.162849 4.093563       12.25512 
1 1 1 13  34 19 o 53.24221 3.806662 144.1396       19.70751 80.71000       40.92310 163.2914       22.48675 35.19460 10.82617 56.52287 4.092106 -21.32827      11.57373 
1 1 1 13  34 20 o 30.92953 5.670247 51.64530       16.53407 88.21000       36.72114 42.34737       18.51732 37.59833 9.858716 27.39047 6.908674 10.20785       12.03844 
1 1 1 13  34 21 o 41.24666 4.151325 87.56453       16.53257 76.18000       35.96305 90.61516       18.61632 34.62368 10.03317 41.71834 4.637165 -7.094662      11.05296 
1 1 1 13  34 22 o 25.77880 6.276202 36.97206       15.68615 62.59000       31.14889 28.26804       18.15642 31.79818 9.372248 22.51235 7.250833 9.285833       11.84962 
1 1 1 13  34 23 o 36.54955 5.077114 70.78104       17.67396 0.000000       0.000000 70.78104       17.67396 ?        ?        36.54955 5.077114 ?              ?        
1 1 1 13  34 24 o 35.66428 5.407625 68.26313       18.28625 0.000000       0.000000 68.26313       18.28625 ?        ?        35.66428 5.407625 ?              ?        
1 1 1 13  34 25 o 18.99982 7.260256 16.97548       18.80794 10.43000       25.62636 24.61774       27.69025 19.00393 8.026151 22.20365 8.719302 -3.199717      11.85096 
1 1 1 13  34 26 o 52.11239 3.440012 137.9037       17.44903 113.9000       29.52909 150.7820       21.62912 44.96189 6.932164 54.08635 4.116417 -9.124451      8.062245 
1 1 1 13  34 27 o 19.87036 5.739978 21.77825       11.78764 16.05000       18.29859 25.84141       15.41128 18.60164 7.147865 21.43156 6.652538 -2.829920      9.764643 
1 1 1 13  34 28 o 34.22401 8.625518 71.80473       28.88033 0.000000       0.000000 71.80473       28.88033 ?        ?        34.22401 8.625518 ?              ?        
1 1 1 13  34 29 o 38.09006 9.227029 91.30000       34.03437 0.000000       0.000000 91.30000       34.03437 ?        ?        38.09006 9.227029 ?              ?        
1 1 1 13  34 30 o 28.00043 12.15788 47.27000       61.87167 0.000000       0.000000 47.27000       61.87167 ?        ?        28.00043 12.15788 ?              ?        
1 1 1 13  34 31 o 18.38397 8.031043 5.310709       27.34687 0.000000       0.000000 5.310709       27.34687 ?        ?        18.38397 8.031043 ?              ?        
1 1 1 13  34 32 o 17.92593 8.133568 -3.958000      30.93267 0.000000       0.000000 -3.958000      30.93267 ?        ?        17.92593 8.133568 ?              ?        
1 1 1 13  34 33 o 26.20094 9.194770 42.74111       29.17337 0.000000       0.000000 42.74111       29.17337 ?        ?        26.20094 9.194770 ?              ?        
1 1 1 13  34 34 o 39.44735 13.48992 132.8000       62.61684 0.000000       0.000000 132.8000       62.61684 ?        ?        39.44735 13.48992 ?              ?        
1 1 1 13  34 35 o 21.85601 8.545230 25.08766       26.49772 0.000000       0.000000 25.08766       26.49772 ?        ?        21.85601 8.545230 ?              ?        
1 1 1 13  34 36 o 34.68919 8.516592 75.08108       28.70138 0.000000       0.000000 75.08108       28.70138 ?        ?        34.68919 8.516592 ?              ?        
1 1 1 13  34 37 o 16.38904 7.438550 -4.129800      25.89676 0.000000       0.000000 -4.129800      25.89676 ?        ?        16.38904 7.438550 ?              ?        
1 1 1 13  34 38 o 19.03402 8.048081 13.04202       25.81506 0.000000       0.000000 13.04202       25.81506 ?        ?        19.03402 8.048081 ?              ?        
1 1 1 13  34 39 o 26.53826 8.838230 46.26369       26.87757 0.000000       0.000000 46.26369       26.87757 ?        ?        26.53826 8.838230 ?              ?        
1 1 1 13  35 0  o 62.03436 3.931274 195.0012       23.74827 116.3000       55.12109 212.9396       26.31594 41.44112 12.52878 64.69377 4.178100 -23.25265      13.20708 
1 1 1 13  35 1  f 18.27665 7.007425 14.06720       17.55994 9.530000       48.76112 14.74330       18.82286 24.04657 10.60696 18.76543 7.239409 5.281136       12.84198 
1 1 1 13  35 2  o 47.66928 4.546315 116.8445       20.95650 60.53000       51.61099 127.9624       22.93204 31.44254 12.02391 49.78822 4.763566 -18.34568      12.93314 
1 1 1 13  35 3  o 29.90397 6.988022 49.79589       20.08454 66.68000       49.20725 46.42078       22.00059 32.45562 11.87454 28.57534 7.695252 3.880283       14.14997 
1 1 1 13  35 4  f 24.37811 7.235391 33.07590       18.51164 14.49000       49.29841 36.12671       19.97325 24.67912 10.78194 25.36474 7.512427 -0.6856155     13.14104 
1 1 1 13  35 5  o 21.07896 7.224675 23.24256       17.96249 45.20000       50.01828 19.99152       19.24637 28.86615 11.59347 20.28046 7.425351 8.585693       13.76751 
1 1 1 13  35 6  o 32.44134 8.127642 60.73030       25.75255 -35.95000      50.01694 95.60534       30.04038 19.94138 9.469287 41.20377 7.732316 -21.26239      12.22522 
1 1 1 13  35 7  f 39.34711 5.247906 81.33123       19.70829 15.15000       50.51418 93.21414       21.40461 24.86850 10.88821 42.12895 5.308222 -17.26044      12.11323 
1 1 1 13  35 8  o 34.76929 5.719354 64.58664       18.78855 19.03000       48.57497 72.60149       20.37438 25.03139 10.82080 36.83932 5.845200 -11.80794      12.29862 
1 1 1 13  35 9  o 33.73106 6.496897 62.30167       20.67265 0.000000       0.000000 62.30167       20.67265 ?        ?        33.73106 6.496897 ?              ?        
1 1 1 13  35 10 f 13.90012 6.342888 -8.800350      19.15011 0.000000       0.000000 -8.800350      19.15011 ?        ?        13.90012 6.342888 ?              ?        
1 1 1 13  35 11 o 50.50340 4.592794 131.5612       22.45600 54.42000       49.82212 151.2279       25.15617 30.07194 11.72897 54.04394 4.805503 -23.97200      12.67523 
1 1 1 13  35 12 o 23.32481 8.609890 28.35751       25.96275 0.000000       0.000000 28.35751       25.96275 ?        ?        23.32481 8.609890 ?              ?        
1 1 1 13  35 13 o 18.89463 7.670166 12.37771       22.15450 7.622000       44.28775 13.96498       25.58590 22.79728 10.07993 20.03126 8.200762 2.766016       12.99452 
1 1 1 13  35 14 o 76.59008 3.586329 296.1612       26.81150 223.0000       55.36775 318.5721       30.64406 61.08110 9.575150 79.17232 3.966912 -18.09121      10.36436 
1 1 1 13  35 15 o 18.84064 7.102644 16.31222       17.85322 -16.55000      41.66336 23.70368       19.75927 19.55520 9.077934 21.28717 7.558511 -1.731964      11.81270 
1 1 1 13  35 16 o 46.09896 4.516741 109.9918       20.11957 54.91000       42.26616 126.1300       22.87786 29.61849 10.97597 49.21650 4.810302 -19.59802      11.98378 
1 1 1 13  35 17 o 30.75480 6.103740 51.84520       17.72590 -11.02000      37.90245 69.44403       20.05414 19.18807 8.818331 35.81008 5.928530 -16.62201      10.62593 
1 1 1 13  35 18 o 42.12214 4.712218 92.59856       19.09608 15.37000       37.16348 120.3046       22.25946 22.30648 9.551300 48.01308 4.800712 -25.70659      10.68991 
1 1 1 13  35 19 o 18.39836 6.620156 16.79371       15.20945 8.281000       32.15972 19.24628       17.26193 20.26859 8.783182 19.51632 7.048759 0.7522717      11.26185 
1 1 1 13  35 20 o 44.82956 4.047216 103.2447       17.56828 95.64000       35.27385 105.7534       20.25989 39.42976 9.292662 45.03375 4.663549 -5.603992      10.39722 
1 1 1 13  35 21 o 41.93371 4.721477 92.13152       19.04328 49.79000       34.20509 111.1507       22.92471 28.19017 9.950912 45.78771 5.207449 -17.59755      11.23112 
1 1 1 13  35 22 o 35.12249 4.490983 64.60684       15.08672 73.11000       32.71165 62.30948       17.00306 33.91111 9.485415 34.08104 5.266523 -0.1699333     10.84939 
1 1 1 13  35 23 o 19.73525 6.667161 21.06321       15.28971 0.000000       0.000000 21.06321       15.28971 ?        ?        19.73525 6.667161 ?              ?        
1 1 1 13  35 24 o 46.17630 4.936028 112.7214       21.96454 126.5000       31.94879 100.3723       30.24619 47.16098 7.144438 41.43685 7.741836 5.724129       10.53466 
1 1 1 13  35 25 o 19.05435 6.124903 19.78570       12.95984 20.05000       22.96120 19.66213       15.69967 20.40880 7.961753 19.25770 6.746148 1.151108       10.43552 
1 1 1 13  35 26 o 29.78155 4.675529 47.05193       13.18116 60.39000       21.99022 39.57228       16.46735 32.33057 7.139773 26.41724 6.429937 5.913332       9.608354 
1 1 1 13  35 27 o 15.68342 7.249633 -11.47845      26.15108 0.000000       0.000000 -11.47845      26.15108 ?        ?        15.68342 7.249633 ?              ?        
1 1 1 13  35 28 o 24.11867 8.974817 33.88714       28.31351 0.000000       0.000000 33.88714       28.31351 ?        ?        24.11867 8.974817 ?              ?        
1 1 1 13  35 29 o 21.97981 8.688971 24.64632       27.66054 0.000000       0.000000 24.64632       27.66054 ?        ?        21.97981 8.688971 ?              ?        
1 1 1 13  35 30 o 31.55991 10.00234 66.69000       34.65850 0.000000       0.000000 66.69000       34.65850 ?        ?        31.55991 10.00234 ?              ?        
1 1 1 13  35 31 o 22.18449 9.200695 22.47000       32.76278 0.000000       0.000000 22.47000       32.76278 ?        ?        22.18449 9.200695 ?              ?        
1 1 1 13  35 32 o 32.79419 13.14961 91.40000       64.23672 0.000000       0.000000 91.40000       64.23672 ?        ?        32.79419 13.14961 ?              ?        
1 1 1 13  35 33 o 29.92280 9.209954 58.18906       29.61115 0.000000       0.000000 58.18906       29.61115 ?        ?        29.92280 9.209954 ?              ?        
1 1 1 13  35 34 o 22.67930 8.794487 28.54667       27.88401 0.000000       0.000000 28.54667       27.88401 ?        ?        22.67930 8.794487 ?              ?        
1 1 1 13  35 35 o 18.79673 7.998775 11.20645       25.77733 0.000000       0.000000 11.20645       25.77733 ?        ?        18.79673 7.998775 ?              ?        
1 1 1 13  35 36 o 43.29006 7.309623 110.4988       29.87168 0.000000       0.000000 110.4988       29.87168 ?        ?        43.29006 7.309623 ?              ?        
1 1 1 13  35 37 o 19.29641 8.131910 14.64661       26.21356 0.000000       0.000000 14.64661       26.21356 ?        ?        19.29641 8.131910 ?              ?        
1 1 1 13  35 38 o 24.89323 8.884681 40.51170       27.33448 0.000000       0.000000 40.51170       27.33448 ?        ?        24.89323 8.884681 ?              ?        
1 1 1 13  36 0  o 37.12127 5.571923 73.37686       19.62135 8.919000       48.27258 86.13418       21.47545 23.62195 10.48004 40.25172 5.602311 -16.62976      11.88348 
1 1 1 13  36 1  o 69.48444 4.681231 248.9124       31.65277 0.000000       0.000000 248.9124       31.65277 ?        ?        69.48444 4.681231 ?              ?        
1 1 1 13  36 2  o 56.52776 4.568108 164.6409       25.06063 69.10000       52.45825 192.8932       28.52632 32.41883 12.18500 61.04635 4.812875 -28.62752      13.10107 
1 1 1 13  36 3  o 21.17773 7.258600 23.74980       18.13158 35.36000       47.65655 21.78475       19.60604 26.93830 11.12739 20.76750 7.510573 6.170799       13.42488 
1 1 1 13  36 4  o 40.95939 5.329796 88.49893       20.86202 40.99000       49.61658 98.70184       22.99329 27.93002 11.42559 43.14528 5.574718 -15.21526      12.71305 
1 1 1 13  36 5  o 41.32060 6.905516 94.22341       26.94498 55.42000       49.56120 110.5055       32.10416 30.12099 11.71235 44.24467 7.692091 -14.12368      14.01240 
1 1 1 13  36 6  o 19.06316 7.041625 17.28374       17.37123 5.010000       47.48656 19.17995       18.66493 23.02553 10.29332 19.85475 7.305207 3.170784       12.62214 
1 1 1 13  36 7  o 25.67313 6.880168 36.99737       17.63904 63.11000       47.04694 32.72640       19.02696 31.36244 11.58775 24.12555 7.374716 7.236889       13.73544 
1 1 1 13  36 8  o 40.56954 5.293342 86.89361       20.51935 62.57000       48.16698 92.28657       22.68031 31.20777 11.68723 41.57978 5.724386 -10.37202      13.01384 
1 1 1 13  36 9  o 37.59381 5.553170 75.35345       19.82021 22.84000       47.85903 86.22450       21.77532 25.12208 10.79930 40.17302 5.697247 -15.05094      12.20997 
1 1 1 13  36 10 o 16.80999 7.059488 6.264369       19.64735 0.000000       0.000000 6.264369       19.64735 ?        ?        16.80999 7.059488 ?              ?        
1 1 1 13  36 11 o 32.46558 7.068297 59.50100       21.82333 0.000000       0.000000 59.50100       21.82333 ?        ?        32.46558 7.068297 ?              ?        
1 1 1 13  36 12 o 31.47497 6.422727 54.84833       19.11679 13.58000       44.57887 64.14748       21.16129 23.32659 10.22043 34.00214 6.596171 -10.67554      12.16415 
1 1 1 13  36 13 o 10.75278 5.298150 -38.07705      19.83292 -5.417000      40.30633 -48.51084      22.78168 20.30387 9.240703 11.10780 5.510007 9.196068       10.75875 
1 1 1 13  36 14 o 14.45649 6.605286 -8.777992      20.85438 10.14000       39.08665 -16.30643      24.65717 21.89231 9.581635 14.79579 6.907054 7.096516       11.81165 
1 1 1 13  36 15 o 73.97849 4.225377 280.9550       30.46963 0.000000       0.000000 280.9550       30.46963 ?        ?        73.97849 4.225377 ?              ?        
1 1 1 13  36 16 f 22.63300 6.979363 28.78715       16.99514 30.66000       35.65450 28.23652       19.33273 24.51589 9.808073 22.49448 7.495888 2.021414       12.34450 
1 1 1 13  36 17 o 47.51838 5.741004 121.3973       26.16210 93.55000       38.24050 145.9000       35.87069 38.14024 10.08917 50.69300 7.451296 -12.55276      12.54245 
1 1 1 13  36 18 o 33.15041 5.504920 59.37397       17.23639 -5.609000      34.11768 81.64356       19.97265 18.69051 8.504607 39.06067 5.365463 -20.37016      10.05567 
1 1 1 13  36 19 o 38.33701 5.732312 79.78936       20.85126 30.33000       34.34921 108.6498       26.23879 24.05273 9.625483 44.48637 6.193448 -20.43364      11.44590 
1 1 1 13  36 20 o 35.22999 5.757058 67.75749       19.16766 58.69000       33.40489 72.20833       23.40382 30.03260 9.847118 35.57947 6.969612 -5.546875      12.06405 
1 1 1 13  36 21 o 29.45708 5.426575 47.21078       15.07031 53.95000       32.97962 45.43216       16.94267 28.89224 9.791664 28.44112 6.256301 0.4511166      11.61972 
1 1 1 13  36 22 o 38.04091 5.069860 77.25755       18.40830 0.000000       0.000000 77.25755       18.40830 ?        ?        38.04091 5.069860 ?              ?        
1 1 1 13  36 23 o 16.06301 6.412326 9.641628       15.20618 0.000000       0.000000 9.641628       15.20618 ?        ?        16.06301 6.412326 ?              ?        
1 1 1 13  36 24 o 19.73639 7.103510 20.52322       17.51284 8.390000       23.52321 35.61092       26.23131 18.02156 7.653931 24.50664 8.708122 -6.485081      11.59371 
1 1 1 13  36 25 o 36.41028 4.087690 68.91437       14.31698 59.38000       24.37019 73.93922       17.69191 31.37874 7.931742 37.22547 4.980272 -5.846733      9.365663 
1 1 1 13  36 26 o 17.89974 6.292736 16.63123       13.66834 13.20000       15.94210 26.15242       26.55624 17.23301 6.658647 22.18380 8.587958 -4.950790      10.86695 
1 1 1 13  36 27 o 21.75701 8.655652 23.81297       27.61351 0.000000       0.000000 23.81297       27.61351 ?        ?        21.75701 8.655652 ?              ?        
1 1 1 13  36 28 o 22.04591 8.732269 24.99673       27.98772 0.000000       0.000000 24.99673       27.98772 ?        ?        22.04591 8.732269 ?              ?        
1 1 1 13  36 29 o 23.86821 9.353717 32.32000       31.81061 0.000000       0.000000 32.32000       31.81061 ?        ?        23.86821 9.353717 ?              ?        
1 1 1 13  36 30 o 60.56883 6.210043 203.1778       36.29636 0.000000       0.000000 203.1778       36.29636 ?        ?        60.56883 6.210043 ?              ?        
1 1 1 13  36 31 o 27.79400 12.07526 51.55000       61.10701 0.000000       0.000000 51.55000       61.10701 ?        ?        27.79400 12.07526 ?              ?        
1 1 1 13  36 32 o 35.03320 8.706800 77.31789       29.72678 0.000000       0.000000 77.31789       29.72678 ?        ?        35.03320 8.706800 ?              ?        
1 1 1 13  36 33 o 16.25220 7.553014 -11.70000      28.96554 0.000000       0.000000 -11.70000      28.96554 ?        ?        16.25220 7.553014 ?              ?        
1 1 1 13  36 34 o 32.04525 12.90628 92.43000       62.17316 0.000000       0.000000 92.43000       62.17316 ?        ?        32.04525 12.90628 ?              ?        
1 1 1 13  36 35 o 41.30816 7.865629 104.2685       30.64231 0.000000       0.000000 104.2685       30.64231 ?        ?        41.30816 7.865629 ?              ?        
1 1 1 13  36 36 o 31.04246 8.706447 63.36784       27.52016 0.000000       0.000000 63.36784       27.52016 ?        ?        31.04246 8.706447 ?              ?        
1 1 1 13  37 0  o 72.51160 4.097066 268.6050       28.96118 214.7000       56.19329 288.1023       33.79531 59.03017 10.08739 74.66087 4.647463 -15.63071      11.10650 
1 1 1 13  37 1  o 31.96412 6.937645 57.50491       21.08173 12.60000       46.44564 69.15717       23.65936 23.50825 10.36149 35.00330 7.147371 -11.49504      12.58751 
1 1 1 13  37 2  o 76.04906 4.078673 295.3511       30.25014 0.000000       0.000000 295.3511       30.25014 ?        ?        76.04906 4.078673 ?              ?        
1 1 1 13  37 3  o 18.78265 7.934313 8.906915       25.05161 -3.783000      46.03175 14.24707       29.86105 21.60029 9.847927 20.82184 8.720979 0.7784462      13.15436 
1 1 1 13  37 4  o 29.14513 8.729568 51.10431       26.85129 62.67000       48.10009 45.86845       32.36340 30.86300 11.65313 27.57093 9.683747 3.292076       15.15158 
1 1 1 13  37 5  o 16.81959 6.902945 8.493925       18.18522 9.642000       46.58030 8.287473       19.75274 23.11828 10.27349 17.22891 7.144617 5.889378       12.51360 
1 1 1 13  37 6  o 38.67081 6.353251 82.00703       23.21396 18.16000       47.75994 101.7567       26.56278 24.28346 10.61066 43.04539 6.507267 -18.76193      12.44711 
1 1 1 13  37 7  f 10.98567 5.285419 -21.88762      16.71519 -35.34000      44.03999 -19.62360      18.06710 18.34621 8.760396 11.85883 5.648253 6.487384       10.42340 
1 1 1 13  37 8  o 36.25612 6.280041 72.17088       21.47998 0.000000       0.000000 72.17088       21.47998 ?        ?        36.25612 6.280041 ?              ?        
1 1 1 13  37 9  o 26.10930 7.053219 38.95334       18.44772 162.6000       43.89778 12.43330       20.33005 52.22402 8.906725 18.29279 7.375709 33.93123       11.56421 
1 1 1 13  37 10 o 25.72408 7.229898 38.05703       18.95643 35.63000       42.32302 38.66612       21.20207 25.93226 10.57366 25.75255 7.766993 0.1797104      13.11977 
1 1 1 13  37 11 o 37.15722 6.628249 76.85429       23.22292 0.000000       0.000000 76.85429       23.22292 ?        ?        37.15722 6.628249 ?              ?        
1 1 1 13  37 12 o 24.02228 7.730203 33.14732       20.63964 0.000000       0.000000 33.14732       20.63964 ?        ?        24.02228 7.730203 ?              ?        
1 1 1 13  37 13 o 22.57627 7.852166 28.41065       21.24773 13.05000       38.58875 35.09400       25.45382 22.02497 9.582048 24.60088 8.591861 -2.575912      12.86995 
1 1 1 13  37 14 o 43.16028 5.929492 101.2759       24.38862 65.79000       42.05458 119.2581       29.93688 31.13112 11.02963 46.17503 6.829299 -15.04391      12.97275 
1 1 1 13  37 15 o 67.16694 4.040228 231.6875       26.43962 172.5000       47.94572 257.5512       31.69426 52.51994 9.683184 70.31793 4.630545 -17.79800      10.73341 
1 1 1 13  37 16 o 31.73397 6.390322 56.52967       19.16232 59.20000       36.57302 55.51922       22.49756 29.85923 10.30614 30.70472 7.541286 -0.8454914     12.77057 
1 1 1 13  37 17 o 15.75843 6.541889 6.795752       16.58572 32.21000       32.86149 -1.891108      19.21233 24.14478 9.493495 14.84679 6.597817 9.297989       11.56104 
1 1 1 13  37 18 o 11.91806 5.689054 -19.99171      18.54076 12.41000       30.79354 -38.41808      23.22178 20.29124 8.691472 11.93421 5.850639 8.357024       10.47720 
1 1 1 13  37 19 o 31.35094 5.663514 53.94102       16.74026 35.03000       32.87122 60.56313       19.45166 24.59727 9.545754 32.88075 6.272597 -8.283474      11.42221 
1 1 1 13  37 20 o 15.59165 6.284283 8.486531       14.75256 18.36000       30.37369 5.438192       16.87696 21.17552 8.826863 15.49825 6.527760 5.677269       10.97840 
1 1 1 13  37 21 o 26.36443 5.975271 38.88092       15.06233 13.54000       29.77670 47.59475       17.46102 20.25683 8.607657 29.04199 6.322167 -8.785158      10.67996 
1 1 1 13  37 22 o 78.51682 3.846467 316.1280       29.47183 0.000000       0.000000 316.1280       29.47183 ?        ?        78.51682 3.846467 ?              ?        
1 1 1 13  37 23 o 24.11095 6.828090 33.71247       16.84200 0.000000       0.000000 33.71247       16.84200 ?        ?        24.11095 6.828090 ?              ?        
1 1 1 13  37 24 o 26.86794 5.207476 39.34292       13.20062 50.76000       23.78013 34.25777       15.87041 28.79886 8.098962 24.42449 6.517457 4.374369       10.39569 
1 1 1 13  37 25 o 18.66919 6.625013 18.38018       15.17801 20.92000       18.35991 12.89727       26.97578 19.85647 7.255158 19.49539 8.234289 0.3610859      10.97455 
1 1 1 13  37 26 o 20.23014 8.361804 16.93237       26.93474 0.000000       0.000000 16.93237       26.93474 ?        ?        20.23014 8.361804 ?              ?        
1 1 1 13  37 27 o 25.25638 9.549499 39.27000       32.32737 0.000000       0.000000 39.27000       32.32737 ?        ?        25.25638 9.549499 ?              ?        
1 1 1 13  37 28 o 20.53688 8.495868 18.15588       27.83785 0.000000       0.000000 18.15588       27.83785 ?        ?        20.53688 8.495868 ?              ?        
1 1 1 13  37 29 o 18.71522 9.179586 -59.93000      57.38879 0.000000       0.000000 -59.93000      57.38879 ?        ?        18.71522 9.179586 ?              ?        
1 1 1 13  37 30 o 16.23208 7.443073 -7.402257      26.79549 0.000000       0.000000 -7.402257      26.79549 ?        ?        16.23208 7.443073 ?              ?        
1 1 1 13  37 31 o 21.94576 8.567808 26.58794       26.60615 0.000000       0.000000 26.58794       26.60615 ?        ?        21.94576 8.567808 ?              ?        
1 1 1 13  37 32 o 16.19770 7.378623 -4.598830      25.77285 0.000000       0.000000 -4.598830      25.77285 ?        ?        16.19770 7.378623 ?              ?        
1 1 1 13  37 33 o 18.83921 7.996522 12.75445       25.65057 0.000000       0.000000 12.75445       25.65057 ?        ?        18.83921 7.996522 ?              ?        
1 1 1 13  37 34 o 20.28866 8.251727 20.77844       25.69858 0.000000       0.000000 20.77844       25.69858 ?        ?        20.28866 8.251727 ?              ?        
1 1 1 13  38 0  o 22.00058 7.554679 26.76791       19.64340 -19.19000      41.50644 40.03231       22.29868 19.00339 8.900578 26.06698 7.986577 -7.063593      11.95850 
1 1 1 13  38 1  o 34.61694 5.839331 65.24342       19.08276 58.40000       43.62630 66.86256       21.22050 29.79766 11.13012 34.65698 6.494010 -4.859318      12.88610 
1 1 1 13  38 2  o 61.60289 5.098733 199.6960       30.46953 117.2000       49.44231 250.2113       38.68954 40.91967 11.73566 68.26458 5.846415 -27.34491      13.11130 
1 1 1 13  38 3  f 16.66032 6.855700 8.357323       17.99865 8.672000       42.28587 8.287698       19.89039 22.09767 9.805961 17.18805 7.152103 4.909616       12.13711 
1 1 1 13  38 4  o 62.21123 4.609918 201.0800       27.87220 139.7000       51.13613 227.0226       33.24460 45.22053 11.52168 65.59380 5.220932 -20.37328      12.64940 
1 1 1 13  38 5  o 22.23560 7.345514 27.69938       18.57516 34.50000       43.55687 26.18765       20.53621 25.76466 10.63986 21.88984 7.711848 3.874821       13.14074 
1 1 1 13  38 6  o 23.72086 7.649030 32.32542       20.20148 0.000000       0.000000 32.32542       20.20148 ?        ?        23.72086 7.649030 ?              ?        
1 1 1 13  38 7  o 30.83417 6.558788 53.46936       19.18608 1.967000       40.70813 68.17661       21.75371 20.95971 9.437104 34.88702 6.612292 -13.92731      11.52308 
1 1 1 13  38 8  o 16.05408 6.725307 6.245798       17.76322 15.64000       39.51611 3.866830       19.88559 22.42505 9.726770 16.21367 6.965371 6.211372       11.96355 
1 1 1 13  38 9  o 16.06463 6.707762 6.589515       17.58412 18.31000       39.06755 3.611888       19.69149 22.69307 9.756152 16.08852 6.921709 6.604551       11.96213 
1 1 1 13  38 10 o 16.21349 6.778675 6.761459       17.99247 38.12000       39.19131 -1.612910      20.25294 25.76380 10.29120 15.28187 6.783611 10.48193       12.32584 
1 1 1 13  38 11 o 18.84583 7.230225 16.70369       18.70234 44.85000       38.18928 7.823522       21.45070 26.85890 10.32477 17.40341 7.346326 9.455492       12.67160 
1 1 1 13  38 12 o 14.45918 6.622946 -8.425082      21.13869 0.000000       0.000000 -8.425082      21.13869 ?        ?        14.45918 6.622946 ?              ?        
1 1 1 13  38 13 o 44.45766 5.138368 105.3967       21.94925 96.94000       44.52247 108.1119       25.22806 36.88760 11.28208 44.43755 5.949329 -7.549950      12.75460 
1 1 1 13  38 14 o 20.37687 7.988689 19.95436       23.21139 65.70000       41.51569 -0.8480000     27.99586 30.69251 10.95001 17.61862 7.887849 13.07389       13.49522 
1 1 1 13  38 15 o 20.38359 7.316751 22.44101       18.56587 38.81000       35.76173 16.40141       21.72258 25.43867 9.932680 19.25865 7.672023 6.180019       12.55062 
1 1 1 13  38 16 o 45.72832 5.569608 113.3101       24.41601 84.98000       38.41925 132.5041       31.62334 35.23298 10.41500 48.33617 6.877739 -13.10320      12.48100 
1 1 1 13  38 17 o 23.03256 7.842022 30.89238       21.15644 8.425000       32.48079 47.44846       27.88234 19.91856 8.725715 27.42686 8.996603 -7.508297      12.53304 
1 1 1 13  38 18 o 11.88286 5.533335 -10.91231      15.66644 -34.91000      30.41977 -2.249700      18.27661 14.55714 7.035114 14.40469 6.416185 0.1524477      9.521568 
1 1 1 13  38 19 o 32.74361 5.514927 58.57684       17.04809 36.14000       32.12040 67.37610       20.11515 24.67266 9.472875 34.75743 6.136785 -10.08477      11.28696 
1 1 1 13  38 20 o 68.07391 3.373944 235.5449       22.41142 175.8000       39.94305 262.9954       27.07482 54.79157 7.656445 71.51474 3.882356 -16.72317      8.584512 
1 1 1 13  38 21 o 38.37704 4.392677 77.29045       16.20391 72.49000       30.19874 79.23138       19.20231 33.74327 8.984181 38.32729 5.256814 -4.584019      10.40911 
1 1 1 13  38 22 o 24.22005 6.654761 33.96480       16.26029 0.000000       0.000000 33.96480       16.26029 ?        ?        24.22005 6.654761 ?              ?        
1 1 1 13  38 23 o 64.55386 4.071520 215.5871       25.59570 180.7000       35.33053 254.1230       37.13221 56.82298 6.467083 68.52456 5.584405 -11.70158      8.544516 
1 1 1 13  38 24 o 16.14226 5.904046 12.64106       12.16302 1.764000       20.06030 18.96440       15.29520 15.68015 6.863471 18.84736 6.654079 -3.167211      9.559498 
1 1 1 13  38 25 o 47.30133 4.157969 116.4328       19.05562 90.79000       23.52525 165.3573       32.49481 40.35145 6.150364 54.57867 6.191822 -14.22722      8.727292 
1 1 1 13  38 26 o 37.99146 9.467275 94.66000       35.07771 0.000000       0.000000 94.66000       35.07771 ?        ?        37.99146 9.467275 ?              ?        
1 1 1 13  38 27 o 28.79351 9.087401 54.17385       28.63487 0.000000       0.000000 54.17385       28.63487 ?        ?        28.79351 9.087401 ?              ?        
1 1 1 13  38 28 o 27.29346 11.92828 49.58000       60.38440 0.000000       0.000000 49.58000       60.38440 ?        ?        27.29346 11.92828 ?              ?        
1 1 1 13  38 29 o 34.16677 8.677821 74.73200       29.07228 0.000000       0.000000 74.73200       29.07228 ?        ?        34.16677 8.677821 ?              ?        
1 1 1 13  38 30 o 18.17968 7.902762 8.020133       26.20412 0.000000       0.000000 8.020133       26.20412 ?        ?        18.17968 7.902762 ?              ?        
1 1 1 13  38 31 o 33.03043 8.604689 70.79881       28.09356 0.000000       0.000000 70.79881       28.09356 ?        ?        33.03043 8.604689 ?              ?        
1 1 1 13  38 32 o 19.42554 8.094204 16.80409       25.52604 0.000000       0.000000 16.80409       25.52604 ?        ?        19.42554 8.094204 ?              ?        
1 1 1 13  38 33 o 20.37351 8.261837 21.83146       25.67310 0.000000       0.000000 21.83146       25.67310 ?        ?        20.37351 8.261837 ?              ?        
1 1 1 13  39 0  o 12.53716 5.863329 -13.16923      17.90138 -25.69000      40.35888 -10.10254      19.97371 17.95653 8.520763 13.79469 6.362026 4.161840       10.63385 
1 1 1 13  39 1  o 24.84737 9.594026 35.86396       33.07906 70.88000       43.94384 -9.922000      50.24938 31.59903 11.26653 21.20075 9.884827 10.39828       14.98814 
1 1 1 13  39 2  o 60.86557 4.658188 193.9480       27.54117 166.7000       50.64954 205.3866       32.81676 50.09958 10.65644 61.89330 5.473186 -11.79372      11.97980 
1 1 1 13  39 3  o 38.11788 6.280602 80.84857       22.61802 0.000000       0.000000 80.84857       22.61802 ?        ?        38.11788 6.280602 ?              ?        
1 1 1 13  39 4  o 21.47819 7.449445 25.83141       19.11769 -44.08000      42.92052 43.13478       21.35287 17.09738 8.285216 26.86076 7.715093 -9.763376      11.32111 
1 1 1 13  39 5  o 32.76654 6.548061 60.80959       20.26648 37.85000       43.28195 67.25716       22.93627 25.72567 10.61326 34.11024 7.100802 -8.384577      12.76960 
1 1 1 13  39 6  o 20.87199 7.406971 23.90974       18.97258 -8.801000      41.87015 32.36146       21.28295 19.74593 9.143557 23.49417 7.865602 -3.748245      12.06119 
1 1 1 13  39 7  o 20.66448 7.435748 23.14183       19.18799 -28.23000      42.42959 36.34911       21.51359 18.14155 8.644889 24.69582 7.886692 -6.554268      11.70188 
1 1 1 13  39 8  o 32.58819 6.616673 60.36440       20.38447 49.92000       44.20325 63.18546       22.97306 27.65121 10.96723 32.85709 7.329549 -5.205873      13.19100 
1 1 1 13  39 9  o 40.10224 5.460945 87.06199       20.87955 68.67000       44.44230 92.27138       23.65241 30.89732 11.28804 40.83537 6.104494 -9.938051      12.83295 
1 1 1 13  39 10 o 13.50914 6.184119 -7.709350      18.39390 -20.82000      40.75081 -4.354724      20.61324 18.34342 8.661927 14.85130 6.698539 3.492116       10.94986 
1 1 1 13  39 11 o 13.21002 6.080340 -8.879137      18.11673 -20.40000      40.45380 -5.988860      20.26220 18.29435 8.636195 14.45998 6.569592 3.834370       10.85096 
1 1 1 13  39 12 o 47.85622 6.128452 126.5935       28.04951 0.000000       0.000000 126.5935       28.04951 ?        ?        47.85622 6.128452 ?              ?        
1 1 1 13  39 13 o 16.08988 7.161500 -0.8661895     22.72605 0.000000       0.000000 -0.8661895     22.72605 ?        ?        16.08988 7.161500 ?              ?        
1 1 1 13  39 14 o 13.98407 6.471185 -10.87264      20.92061 -40.13000      38.83213 1.091837       24.83251 16.36484 7.918374 17.01313 7.533928 -0.6482925     10.92981 
1 1 1 13  39 15 o 33.29338 9.224022 71.47991       31.09452 45.98000       35.92132 147.7000       62.10372 26.72661 10.07499 42.18506 13.39159 -15.45845      16.75828 
1 1 1 13  39 16 f 12.99117 5.921401 -6.417225      16.62909 -42.09000      31.59911 7.245906       19.55607 14.27157 6.959553 16.62891 7.016632 -2.357342      9.882738 
1 1 1 13  39 17 o 34.04225 6.579833 66.05386       21.13162 47.87000       34.02912 77.46728       26.95974 27.04611 9.878028 35.86318 7.894285 -8.817070      12.64497 
1 1 1 13  39 18 o 21.66202 6.869933 26.96243       16.34740 31.38000       30.30805 25.14995       19.41345 23.46756 9.149473 21.16091 7.494185 2.306656       11.82690 
1 1 1 13  39 19 o 38.62866 4.800990 79.46544       17.76233 72.16000       31.96558 82.72874       21.36430 33.11281 9.416760 38.72939 5.815052 -5.616577      11.06753 
1 1 1 13  39 20 o 33.17094 5.074701 59.37778       15.95383 34.75000       29.72481 69.34278       18.90798 24.11392 9.148008 35.53705 5.622597 -11.42312      10.73777 
1 1 1 13  39 21 o 9.753057 4.674633 -15.68922      12.79684 -10.57000      24.50670 -17.60837      15.00503 15.15970 7.011233 10.59014 5.072133 4.569561       8.653549 
1 1 1 13  39 22 o 16.56549 6.539007 11.43206       15.64476 0.000000       0.000000 11.43206       15.64476 ?        ?        16.56549 6.539007 ?              ?        
1 1 1 13  39 23 o 50.48376 4.466662 134.0140       21.84446 110.7000       28.93827 164.8960       33.30551 43.77432 6.988662 54.16424 6.405816 -10.38992      9.480289 
1 1 1 13  39 24 o 13.75415 6.005341 0.6938753      15.27365 -3.053000      18.03963 10.18000       28.70367 14.06127 6.310663 19.18512 8.305783 -5.123847      10.43123 
1 1 1 13  39 25 o 18.45111 8.056637 7.172941       27.49377 0.000000       0.000000 7.172941       27.49377 ?        ?        18.45111 8.056637 ?              ?        
1 1 1 13  39 26 f 20.52839 8.497911 19.01946       27.87626 0.000000       0.000000 19.01946       27.87626 ?        ?        20.52839 8.497911 ?              ?        
1 1 1 13  39 27 o 34.03754 8.952420 75.79705       30.21984 0.000000       0.000000 75.79705       30.21984 ?        ?        34.03754 8.952420 ?              ?        
1 1 1 13  39 28 o 19.70236 8.195033 16.96832       26.09916 0.000000       0.000000 16.96832       26.09916 ?        ?        19.70236 8.195033 ?              ?        
1 1 1 13  39 29 o 13.44627 6.437962 -22.64547      24.13092 0.000000       0.000000 -22.64547      24.13092 ?        ?        13.44627 6.437962 ?              ?        
1 1 1 13  39 30 o 18.30561 7.817831 11.73785       24.78095 0.000000       0.000000 11.73785       24.78095 ?        ?        18.30561 7.817831 ?              ?        
1 1 1 13  39 31 o 18.84934 7.972903 14.52380       25.35029 0.000000       0.000000 14.52380       25.35029 ?        ?        18.84934 7.972903 ?              ?        
1 1 1 13  40 0  o 21.21328 9.012576 17.43781       32.63477 0.000000       0.000000 17.43781       32.63477 ?        ?        21.21328 9.012576 ?              ?        
1 1 1 13  40 1  o 36.31520 6.480852 74.62132       22.19183 0.000000       0.000000 74.62132       22.19183 ?        ?        36.31520 6.480852 ?              ?        
1 1 1 13  40 2  o 13.74712 6.307976 -8.196577      19.29099 -4.677000      43.70349 -9.048273      21.49875 20.32428 9.386735 14.41281 6.630193 5.911470       11.49218 
1 1 1 13  40 3  o 26.51777 7.337653 41.82339       19.69054 -15.62000      44.95477 55.46019       21.90342 19.55036 9.190363 30.56318 7.401214 -11.01282      11.80003 
1 1 1 13  40 4  o 65.52802 4.036522 221.8578       25.76485 151.6000       52.80220 243.8133       29.51735 45.63392 11.75064 68.33356 4.437024 -22.69964      12.56045 
1 1 1 13  40 5  o 25.09724 7.492949 37.57825       19.80701 -5.480000      44.53046 48.19817       22.11514 20.40201 9.441131 28.21937 7.763808 -7.817360      12.22341 
1 1 1 13  40 6  o 28.46488 7.222388 47.85455       20.15234 -21.40000      45.63384 64.63251       22.46118 19.20719 9.098482 33.29983 7.107521 -14.09264      11.54553 
1 1 1 13  40 7  o 22.62347 7.616183 29.80748       19.95241 6.065000       46.14373 35.26736       22.12796 21.82679 9.915571 24.24283 8.017622 -2.416044      12.75150 
1 1 1 13  40 8  o 24.78060 7.515175 36.56623       19.81104 52.10000       45.09664 32.85154       22.05295 27.79680 11.06046 23.54103 8.006598 4.255770       13.65428 
1 1 1 13  40 9  o 30.17320 7.055191 53.19656       20.46247 53.62000       44.96206 53.08595       22.98024 28.03485 11.07944 29.61427 7.815219 -1.579418      13.55846 
1 1 1 13  40 10 o 30.22826 7.013865 53.36689       20.35094 -8.861000      43.44585 70.85886       23.03431 19.87364 9.240868 35.00266 6.968129 -15.12902      11.57361 
1 1 1 13  40 11 o 18.02464 7.289756 13.15613       19.92623 1.675000       40.58339 16.80316       22.87314 20.38805 9.276443 19.43755 7.828314 0.9505005      12.13816 
1 1 1 13  40 12 o 18.75154 7.237589 16.96911       18.82004 70.84000       40.43148 2.068225       21.26418 31.34235 10.83533 16.08149 7.052035 15.26087       12.92809 
1 1 1 13  40 13 o 36.67172 9.795840 89.73557       35.82868 0.000000       0.000000 89.73557       35.82868 ?        ?        36.67172 9.795840 ?              ?        
1 1 1 13  40 14 o 56.10019 7.224997 182.0428       38.75404 0.000000       0.000000 182.0428       38.75404 ?        ?        56.10019 7.224997 ?              ?        
1 1 1 13  40 15 o 31.13900 7.112591 57.06762       21.20230 33.05000       33.76137 72.70854       27.24497 23.92417 9.553271 34.32326 8.218367 -10.39909      12.60185 
1 1 1 13  40 16 o 20.36846 7.018093 23.26212       16.95661 1.431000       30.61927 32.91889       20.36445 18.35678 8.231381 23.47445 7.688002 -5.117664      11.26326 
1 1 1 13  40 17 o 17.73834 6.802587 14.89876       16.55089 -22.75000      28.66914 33.71890       20.26986 15.02695 7.145232 23.72308 7.663032 -8.696131      10.47742 
1 1 1 13  40 18 o 31.23428 5.883598 54.50579       17.32818 7.508000       30.32483 77.29146       21.11497 19.14223 8.407021 37.23877 5.996387 -18.09653      10.32641 
1 1 1 13  40 19 o 18.31501 6.677592 17.40634       15.54087 25.89000       29.91452 14.27030       18.18785 22.20603 8.949284 17.88213 7.053030 4.323895       11.39451 
1 1 1 13  40 20 o 23.22382 6.415018 31.21350       15.06467 13.29000       28.41561 38.22060       17.76702 19.63354 8.377866 25.41767 6.945199 -5.784130      10.88230 
1 1 1 13  40 21 o 40.37373 4.169493 85.36382       16.24062 107.0000       30.25651 76.60714       19.24855 42.37730 7.572143 37.41993 5.412207 4.957378       9.307488 
1 1 1 13  40 22 o 13.72064 6.057988 -0.6043396     15.94177 0.000000       0.000000 -0.6043396     15.94177 ?        ?        13.72064 6.057988 ?              ?        
1 1 1 13  40 23 o 26.45098 6.996102 41.58704       18.38915 45.86000       22.65297 33.33000       31.49000 27.13501 7.991150 23.64826 9.294785 3.486748       12.25771 
1 1 1 13  40 24 o 34.80136 8.573246 77.48314       29.01054 0.000000       0.000000 77.48314       29.01054 ?        ?        34.80136 8.573246 ?              ?        
1 1 1 13  40 25 o 22.17968 10.38045 3.656000       56.27877 0.000000       0.000000 3.656000       56.27877 ?        ?        22.17968 10.38045 ?              ?        
1 1 1 13  40 26 o 39.68338 8.122684 98.40584       30.48756 0.000000       0.000000 98.40584       30.48756 ?        ?        39.68338 8.122684 ?              ?        
1 1 1 13  40 27 o 23.99132 8.842272 37.44000       27.36516 0.000000       0.000000 37.44000       27.36516 ?        ?        23.99132 8.842272 ?              ?        
1 1 1 13  40 28 o 15.57232 7.136587 -5.093049      24.58819 0.000000       0.000000 -5.093049      24.58819 ?        ?        15.57232 7.136587 ?              ?        
1 1 1 13  41 0  o 21.58429 7.859354 26.36956       21.51831 0.000000       0.000000 26.36956       21.51831 ?        ?        21.58429 7.859354 ?              ?        
1 1 1 13  41 1  o 28.98773 7.745911 51.16563       22.39756 0.000000       0.000000 51.16563       22.39756 ?        ?        28.98773 7.745911 ?              ?        
1 1 1 13  41 2  o 17.98289 8.162799 -2.359141      31.19493 14.93000       44.58493 -18.94000      43.66212 22.38405 9.992469 18.90539 8.938922 3.478662       13.40723 
1 1 1 13  41 3  o 14.36398 6.519641 -5.350243      19.89572 -7.252000      44.28355 -4.869286      22.26989 20.04369 9.323188 15.22822 6.906271 4.815463       11.60252 
1 1 1 13  41 4  o 31.11251 7.548717 58.21365       22.75162 29.94000       46.52226 67.10149       26.08363 24.37998 10.56438 32.98150 8.131848 -8.601521      13.33166 
1 1 1 13  41 5  o 26.23551 7.463643 41.45505       20.07722 71.27000       46.53358 34.63533       22.25526 30.66336 11.48654 23.91978 8.043654 6.743586       14.02287 
1 1 1 13  41 6  o 38.13500 5.829219 80.45326       21.06922 51.38000       45.88297 88.22169       23.71763 27.38453 11.06662 39.56624 6.337939 -12.18171      12.75302 
1 1 1 13  41 7  o 27.75290 7.182432 45.75367       19.66024 23.36000       43.31673 51.56359       22.06371 23.26686 10.13681 29.17929 7.637420 -5.912437      12.69193 
1 1 1 13  41 8  o 18.46415 7.241080 15.82387       19.07533 2.310000       41.88633 19.35995       21.42613 20.58589 9.388747 19.74374 7.694240 0.8421440      12.13878 
1 1 1 13  41 9  o 20.82928 7.634151 24.05334       20.35211 74.52000       43.09688 9.568381       23.08884 31.58447 11.16781 17.91379 7.594501 13.67068       13.50542 
1 1 1 13  41 10 f 49.28662 5.145167 130.6391       24.45673 72.80000       45.18890 154.5987       29.08444 30.98154 11.37217 53.14553 5.678886 -22.16399      12.71125 
1 1 1 13  41 11 o 16.45045 6.918159 7.596630       18.90985 13.56000       40.44141 5.927990       21.39251 21.61719 9.591395 16.78403 7.217626 4.833162       12.00371 
1 1 1 13  41 12 o 22.19144 8.545673 27.57405       26.19462 28.87000       39.82069 26.58549       34.77869 23.62290 9.992352 22.79773 9.469403 0.8251724      13.76651 
1 1 1 13  41 13 o 31.13631 7.620608 58.67294       23.03383 0.000000       0.000000 58.67294       23.03383 ?        ?        31.13631 7.620608 ?              ?        
1 1 1 13  41 14 o 25.34553 8.008664 39.60224       22.23402 0.000000       0.000000 39.60224       22.23402 ?        ?        25.34553 8.008664 ?              ?        
1 1 1 13  41 15 o 17.41060 7.109568 11.60345       19.16888 19.33000       29.79077 6.144119       25.04138 20.91940 8.732577 17.72629 7.715324 3.193113       11.65265 
1 1 1 13  41 16 o 26.24872 6.751666 40.45472       17.44504 12.54000       31.29685 53.03724       21.01203 19.99155 8.663836 29.77317 7.273313 -9.781618      11.31208 
1 1 1 13  41 17 o 42.14137 4.740229 94.74947       19.21432 79.40000       34.15479 101.8565       23.24073 34.07310 9.748288 42.98705 5.660836 -8.913952      11.27272 
1 1 1 13  41 18 f 39.35833 4.825674 83.02845       18.20237 53.73000       31.90174 97.17097       22.16437 28.07644 9.627978 42.08399 5.513059 -14.00756      11.09467 
1 1 1 13  41 19 o 48.73642 4.006480 123.6106       18.94413 76.81000       33.34985 145.9059       23.01840 33.58635 9.640269 52.55859 4.518103 -18.97223      10.64650 
1 1 1 13  41 20 o 42.66409 4.174725 95.41618       17.21110 86.81000       30.88117 99.29395       20.72905 36.85643 8.700598 42.90856 5.030909 -6.052128      10.05040 
1 1 1 13  41 21 o 17.49597 6.358184 15.96617       14.07355 30.35000       24.64348 9.004589       17.14425 22.49826 8.372756 16.17015 6.676219 6.328106       10.70864 
1 1 1 13  41 22 o 25.23254 9.034892 41.87292       28.29000 0.000000       0.000000 41.87292       28.29000 ?        ?        25.23254 9.034892 ?              ?        
1 1 1 13  41 23 o 26.05633 11.44044 47.94000       56.12125 0.000000       0.000000 47.94000       56.12125 ?        ?        26.05633 11.44044 ?              ?        
1 1 1 13  41 24 o 16.23110 7.472945 -5.969198      27.39222 0.000000       0.000000 -5.969198      27.39222 ?        ?        16.23110 7.472945 ?              ?        
1 1 1 13  41 25 o 24.79148 8.858925 41.35739       27.18440 0.000000       0.000000 41.35739       27.18440 ?        ?        24.79148 8.858925 ?              ?        
1 1 1 13  41 26 o 20.65098 8.352983 23.33976       26.16639 0.000000       0.000000 23.33976       26.16639 ?        ?        20.65098 8.352983 ?              ?        
1 1 1 13  42 0  o 26.69785 7.436265 43.13232       20.15051 34.93000       46.59946 45.01880       22.34793 24.85741 10.67043 26.95870 7.936616 -2.101292      13.29842 
1 1 1 13  42 1  o 12.91032 6.095791 -16.15793      20.17328 0.000000       0.000000 -16.15793      20.17328 ?        ?        12.91032 6.095791 ?              ?        
1 1 1 13  42 2  o 29.17694 7.745234 52.16168       22.48620 0.000000       0.000000 52.16168       22.48620 ?        ?        29.17694 7.745234 ?              ?        
1 1 1 13  42 3  o 27.16321 7.396002 44.54789       20.18979 38.01000       44.97921 46.19754       22.59384 25.18943 10.63568 27.29040 7.965404 -2.100971      13.28779 
1 1 1 13  42 4  o 21.45813 8.194160 25.48127       23.94736 5.873000       42.92819 34.34000       28.85418 21.01874 9.554514 23.79972 9.016669 -2.780979      13.13731 
1 1 1 13  42 5  o 31.79778 10.04742 70.52393       34.99511 71.01000       44.99799 69.78000       55.66879 30.52196 11.32245 29.60521 12.10563 0.9167461      16.57541 
1 1 1 13  42 6  o 30.72891 7.069046 55.84831       20.81953 93.14000       44.02412 45.10563       23.62877 35.06572 11.29031 26.79708 8.223390 8.268642       13.96765 
1 1 1 13  42 7  o 23.39009 7.614057 32.92847       19.98926 8.114000       41.94085 40.22187       22.73789 21.09670 9.531508 25.43381 8.106420 -4.337109      12.51254 
1 1 1 13  42 8  o 19.87847 7.589297 20.68009       20.53956 -8.940000      40.43865 30.97827       23.84426 19.07221 8.884077 22.81180 8.278069 -3.739588      12.14303 
1 1 1 13  42 9  o 35.61477 6.183870 71.63789       20.77582 44.80000       41.46497 80.63384       24.00659 26.06237 10.52462 37.30842 6.825251 -11.24605      12.54399 
1 1 1 13  42 10 f 19.55254 8.178654 15.25895       26.21081 -11.32000      39.07526 37.00031       35.34080 18.56686 8.676538 24.53178 9.781400 -5.964920      13.07509 
1 1 1 13  42 11 o 16.38680 7.383332 -1.830256      24.96761 -22.10000      36.98131 15.14793       33.84573 17.10858 8.129359 20.73668 8.998123 -3.628101      12.12653 
1 1 1 13  42 12 o 34.89776 6.130031 68.91470       20.17582 29.05000       39.25913 83.22192       23.51928 23.35390 9.902026 38.07193 6.547216 -14.71803      11.87081 
1 1 1 13  42 13 o 12.96483 5.982611 -8.598764      17.69748 -54.86000      33.98063 8.619718       20.73100 13.90838 6.868416 17.04391 7.209656 -3.135537      9.957624 
1 1 1 13  42 14 o 12.10482 5.834534 -24.27363      20.58982 0.000000       0.000000 -24.27363      20.58982 ?        ?        12.10482 5.834534 ?              ?        
1 1 1 13  42 15 o 12.55454 5.942626 -16.32925      19.39750 -38.65000      30.67187 -1.451557      25.04111 14.11010 6.875461 16.42390 7.397635 -2.313803      10.09935 
1 1 1 13  42 16 o 17.99426 7.190426 14.46864       19.13960 -12.16000      29.17659 34.58356       25.35825 16.14231 7.528279 23.62984 8.542139 -7.487535      11.38609 
1 1 1 13  42 17 o 28.50923 6.388540 47.20488       17.38502 38.31000       29.62073 51.87911       21.47241 24.41169 9.160282 29.08513 7.495408 -4.673447      11.83604 
1 1 1 13  42 18 o 14.32397 6.157564 3.306662       15.55970 27.94000       26.74492 -9.296917      19.13051 21.96464 8.585786 13.34797 6.180783 8.616669       10.57912 
1 1 1 13  42 19 o 17.40337 6.530007 15.40427       15.05182 21.42000       25.85742 12.32111       18.51139 20.44414 8.291091 17.22946 7.004930 3.214678       10.85409 
1 1 1 13  42 20 o 20.75446 6.525440 25.27753       14.77835 13.65000       23.96105 32.41618       18.77458 18.54257 7.792123 22.98443 7.370407 -4.441864      10.72567 
1 1 1 13  42 21 o 16.79686 7.536902 1.529619       25.71741 0.000000       0.000000 1.529619       25.71741 ?        ?        16.79686 7.536902 ?              ?        
1 1 1 13  42 22 o 22.54602 7.677647 31.82800       20.27894 21.36000       21.60063 109.6000       58.87708 19.73173 7.715119 33.07363 12.79176 -13.34190      14.93828 
1 1 1 13  42 23 o 19.56792 8.237839 17.51098       26.85677 0.000000       0.000000 17.51098       26.85677 ?        ?        19.56792 8.237839 ?              ?        
1 1 1 13  43 0  o 16.96001 7.012260 10.30376       18.94989 53.73000       43.79168 0.2985241      21.01983 27.26782 10.88297 15.55116 6.906568 11.71666       12.88952 
1 1 1 13  43 1  o 19.64000 7.395440 20.67262       19.34305 45.92000       42.45469 14.05864       21.72946 26.01292 10.59627 18.39824 7.547704 7.614679       13.00956 
1 1 1 13  43 2  o 17.43363 7.355768 9.735177       21.49019 0.000000       0.000000 9.735177       21.49019 ?        ?        17.43363 7.355768 ?              ?        
1 1 1 13  43 3  o 19.69325 7.741458 19.68064       21.84720 0.000000       0.000000 19.68064       21.84720 ?        ?        19.69325 7.741458 ?              ?        
1 1 1 13  43 4  o 25.68777 7.547130 40.56278       20.22564 4.170000       42.93274 50.94349       22.92949 20.61780 9.441883 28.52061 7.928198 -7.902811      12.32905 
1 1 1 13  43 5  o 14.38708 6.577942 -6.302579      20.72710 -34.40000      40.94067 3.381145       24.03493 16.90713 8.168530 16.88144 7.446637 0.2568054E-01  11.05338 
1 1 1 13  43 6  o 20.80360 8.074388 23.59093       23.52075 55.46000       41.13600 8.111000       28.66962 27.58238 10.68562 18.66857 8.187424 8.913805       13.46167 
1 1 1 13  43 7  o 24.95936 7.906479 38.86681       21.65807 62.91000       40.89303 29.49323       25.53325 28.97396 10.78499 22.34341 8.478015 6.630548       13.71834 
1 1 1 13  43 8  o 42.42303 7.177692 106.3267       28.74334 69.19000       42.95208 136.4450       38.68103 29.94508 11.07056 46.15894 8.883628 -16.21386      14.19423 
1 1 1 13  43 9  o 23.44886 8.761425 33.99068       27.03750 16.35000       39.43110 49.64501       37.14484 21.51146 9.511311 26.65464 10.19868 -5.143183      13.94554 
1 1 1 13  43 10 o 16.36739 6.946107 7.238794       19.34852 32.98000       38.34681 -1.552837      22.41039 23.76644 9.913269 15.63890 7.025001 8.127541       12.15004 
1 1 1 13  43 11 o 14.23385 6.404209 -2.901349      18.70926 29.35000       37.59318 -13.51932      21.57029 23.12493 9.741434 13.66960 6.406883 9.455328       11.65949 
1 1 1 13  43 12 o 21.25198 7.547527 26.55118       19.70277 -39.12000      38.35937 50.08562       22.96339 15.94176 7.750087 28.14571 7.973742 -12.20395      11.11955 
1 1 1 13  43 13 o 28.58514 7.218649 49.69655       20.19901 41.70000       39.05918 52.61579       23.59969 24.98708 10.16919 28.73156 8.063972 -3.744473      12.97845 
1 1 1 13  43 14 o 17.31883 7.328161 9.853188       21.42881 0.000000       0.000000 9.853188       21.42881 ?        ?        17.31883 7.328161 ?              ?        
1 1 1 13  43 15 o 40.04523 5.218966 88.00176       19.97072 62.67000       33.37283 102.1336       24.92638 29.45314 9.849279 42.28499 6.207018 -12.83185      11.64197 
1 1 1 13  43 16 o 31.61050 6.963556 60.02949       20.96324 46.18000       31.17618 71.45916       28.32193 25.78711 9.449032 32.84055 8.680578 -7.053436      12.83108 
1 1 1 13  43 17 o 13.32121 5.984927 -2.439451      16.27357 -12.36000      28.34826 2.436707       19.87455 15.66166 7.341926 15.39758 6.782628 0.2640858      9.995395 
1 1 1 13  43 18 o 18.31530 6.835767 18.21561       16.44945 17.70000       26.20590 18.55086       21.13090 19.50471 8.169600 18.99309 7.566623 0.5116272      11.13535 
1 1 1 13  43 19 o 13.03962 5.977181 -5.903403      17.26059 -11.68000      23.92282 0.3691019      24.92854 14.43840 6.760779 16.31529 7.361941 -1.876887      9.995315 
1 1 1 13  43 20 o 19.86625 7.861222 21.81965       22.66205 15.41000       24.67365 56.39000       57.30177 18.77466 7.899441 26.10883 11.50826 -7.334177      13.95855 
1 1 1 13  44 0  o 40.14410 5.621143 89.55465       21.48326 83.91000       45.91854 91.13644       24.30770 32.06081 11.50699 39.77562 6.465207 -7.714813      13.19885 
1 1 1 13  44 1  o 20.68612 7.528821 24.68246       19.74320 -13.67000      42.08754 35.50320       22.35554 18.65036 8.805653 23.79198 8.061706 -5.141619      11.93862 
1 1 1 13  44 2  o 26.42036 7.509092 43.23792       20.33212 49.55000       42.36569 41.34905       23.17546 26.27668 10.62857 25.41416 8.192529 0.8625202      13.41954 
1 1 1 13  44 3  f 17.24113 7.379684 8.524055       22.17050 0.000000       0.000000 8.524055       22.17050 ?        ?        17.24113 7.379684 ?              ?        
1 1 1 13  44 4  o 12.85179 6.149436 -21.18015      21.94084 0.000000       0.000000 -21.18015      21.94084 ?        ?        12.85179 6.149436 ?              ?        
1 1 1 13  44 5  o 33.99440 7.082034 69.25172       22.79929 48.13000       42.37503 77.85725       27.04792 25.93350 10.57789 35.17189 8.033266 -9.238386      13.28251 
1 1 1 13  44 6  o 15.96430 7.010915 3.276982       21.08663 46.04000       40.37572 -12.76144      24.72674 25.58513 10.36613 14.69211 6.877595 10.89302       12.44018 
1 1 1 13  44 7  o 20.48746 8.447354 21.06018       27.39791 4.971000       39.74664 35.62603       37.81825 19.94892 9.116376 23.81983 9.882557 -3.870913      13.44519 
1 1 1 13  44 8  o 30.40792 8.838413 62.18095       27.86949 47.17000       41.79497 74.19930       37.39747 25.68449 10.49427 31.32258 10.42521 -5.638088      14.79238 
1 1 1 13  44 9  o 26.00389 7.613863 42.52516       20.61518 0.9494000      39.80249 57.76696       24.09951 19.47583 8.981703 30.02244 8.040380 -10.54661      12.05482 
1 1 1 13  44 10 o 18.21388 7.497757 14.48210       21.53818 6.055000       40.92296 17.71078       25.33032 20.12309 9.216420 19.48346 8.086100 0.6396294      12.26081 
1 1 1 13  44 11 o 31.84955 9.517302 72.02851       31.94432 65.44000       40.98933 82.22000       50.97956 28.68559 10.77326 30.33432 11.85485 -1.648731      16.01876 
1 1 1 13  44 12 o 12.63689 5.935319 -12.44458      18.67957 -6.412000      34.33868 -14.97997      22.26149 17.61423 8.198780 13.56771 6.405377 4.046522       10.40427 
1 1 1 13  44 13 o 17.31458 6.956469 13.78324       18.01528 13.80000       30.24880 13.77403       22.42650 19.39419 8.459869 18.11888 7.571109 1.275311       11.35302 
1 1 1 13  44 14 o 10.56582 5.243015 -40.60614      20.69751 0.000000       0.000000 -40.60614      20.69751 ?        ?        10.56582 5.243015 ?              ?        
1 1 1 13  44 15 o 17.01359 7.291452 9.266208       21.69353 0.000000       0.000000 9.266208       21.69353 ?        ?        17.01359 7.291452 ?              ?        
1 1 1 13  44 16 o 41.45213 6.125903 99.27263       24.10781 71.26000       32.59555 133.1000       35.81918 31.07587 9.679513 45.28951 8.388867 -14.21364      12.80883 
1 1 1 13  45 0  o 17.08274 7.073001 11.73231       19.31702 48.22000       40.63972 1.082394       21.95587 25.45731 10.36829 15.68501 7.006369 9.772295       12.51361 
1 1 1 13  45 1  o 16.95146 7.072150 10.95727       19.52238 -32.82000      40.98273 23.80676       22.20339 16.64396 8.072683 20.33909 7.858360 -3.695135      11.26597 
1 1 1 13  45 2  o 18.79274 7.404924 18.45382       20.03048 9.413000       41.14785 21.26154       22.93082 20.31202 9.279788 19.79747 7.883873 0.5145512      12.17661 
1 1 1 13  45 3  o 37.21747 6.642118 82.00645       23.30912 92.58000       44.07584 77.90118       27.46383 33.13330 11.31818 34.61650 8.227166 -1.483208      13.99241 
1 1 1 13  45 4  f 26.87071 8.851320 49.99961       26.97801 0.000000       0.000000 49.99961       26.97801 ?        ?        26.87071 8.851320 ?              ?        
1 1 1 13  45 5  o 22.34247 8.196821 31.80465       23.47182 0.000000       0.000000 31.80465       23.47182 ?        ?        22.34247 8.196821 ?              ?        
1 1 1 13  45 6  f 23.20218 8.859837 35.73993       27.99562 50.95000       41.31688 22.82908       38.06618 25.70896 10.46046 21.47807 9.426458 4.230890       14.08117 
1 1 1 13  45 7  o 22.19519 8.061826 31.41803       22.62189 38.16000       42.58933 28.76830       26.69977 23.74134 10.19631 21.62143 8.540038 2.119917       13.30026 
1 1 1 13  45 8  o 14.16201 6.441061 -3.489488      19.54153 7.084000       39.78640 -6.851205      22.43397 19.70553 9.048300 14.55545 6.723425 5.150078       11.27281 
1 1 1 13  45 9  o 16.33994 6.917991 8.986434       19.11563 28.27000       37.37928 2.157268       22.24442 22.06740 9.515629 15.84150 7.065876 6.225906       11.85216 
1 1 1 13  45 10 o 24.85183 7.595707 39.74142       20.18524 4.071000       37.32367 54.48729       23.99746 19.04742 8.752610 28.62853 8.164917 -9.581118      11.96971 
1 1 1 13  45 11 o 21.02330 7.778346 27.37857       21.21145 15.37000       36.52058 33.49171       26.05700 20.18289 9.024416 22.55257 8.562863 -2.369680      12.44037 
1 1 1 13  46 0  o 21.66405 9.694829 25.04000       42.24312 25.04000       42.24312 0.000000       0.000000 21.66405 9.694829 ?        ?        ?              ?        
1 1 1 14  0  0  o 189.0852 5.647817 1755.944       104.3196 1755.944       104.3196 1755.944       104.3196 189.0852 5.647817 189.0852 5.647817 0.000000       0.000000 
1 1 1 14  0  1  o 323.3541 8.823246 5139.094       278.7926 5139.094       278.7926 5139.094       278.7926 323.3541 8.823246 323.3541 8.823246 0.000000       0.000000 
1 1 1 14  0  2  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  3  o 439.4898 11.74978 9508.911       504.6411 9508.911       504.6411 9508.911       504.6411 439.4898 11.74978 439.4898 11.74978 0.000000       0.000000 
1 1 1 14  0  4  f 202.3244 5.928784 2010.549       117.1858 2010.549       117.1858 2010.549       117.1858 202.3244 5.928784 202.3244 5.928784 0.000000       0.000000 
1 1 1 14  0  5  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  0  6  o 280.6372 7.770067 3870.354       213.0703 3870.354       213.0703 3870.354       213.0703 280.6372 7.770067 280.6372 7.770067 0.000000       0.000000 
1 1 1 14  0  7  o 162.4019 5.059274 1295.597       80.24711 1295.597       80.24711 1295.597       80.24711 162.4019 5.059274 162.4019 5.059274 0.000000       0.000000 
1 1 1 14  0  8  o 47.72076 4.582391 114.5792       20.92217 114.5792       20.92217 114.5792       20.92217 47.72076 4.582391 47.72076 4.582391 0.000000       0.000000 
1 1 1 14  0  9  o 162.5042 5.074327 1297.378       80.53574 1297.378       80.53574 1297.378       80.53574 162.5042 5.074327 162.5042 5.074327 0.000000       0.000000 
1 1 1 14  0  10 o 76.74579 3.939061 290.6992       29.41170 290.6992       29.41170 290.6992       29.41170 76.74579 3.939061 76.74579 3.939061 0.000000       0.000000 
1 1 1 14  0  11 f 135.1347 4.577539 897.5555       60.39111 897.5555       60.39111 897.5555       60.39111 135.1347 4.577539 135.1347 4.577539 0.000000       0.000000 
1 1 1 14  0  12 o 56.01769 4.347092 156.4525       23.49676 156.4525       23.49676 156.4525       23.49676 56.01769 4.347092 56.01769 4.347092 0.000000       0.000000 
1 1 1 14  0  13 o 187.7609 5.637221 1732.452       103.3925 1732.452       103.3925 1732.452       103.3925 187.7609 5.637221 187.7609 5.637221 0.000000       0.000000 
1 1 1 14  0  14 o 76.13213 4.061137 286.2971       30.06575 286.2971       30.06575 286.2971       30.06575 76.13213 4.061137 76.13213 4.061137 0.000000       0.000000 
1 1 1 14  0  15 o 16.75712 8.517842 20.22280       17.48743 20.22280       17.48743 20.22280       17.48743 16.75712 8.517842 16.75712 8.517842 0.000000       0.000000 
1 1 1 14  0  16 o 116.1719 4.377367 663.9772       49.61534 663.9772       49.61534 663.9772       49.61534 116.1719 4.377367 116.1719 4.377367 0.000000       0.000000 
1 1 1 14  0  17 o 45.21994 5.108832 103.9868       21.87045 103.9868       21.87045 103.9868       21.87045 45.21994 5.108832 45.21994 5.108832 0.000000       0.000000 
1 1 1 14  0  18 o 67.93321 4.307134 228.8116       28.37303 228.8116       28.37303 228.8116       28.37303 67.93321 4.307134 67.93321 4.307134 0.000000       0.000000 
1 1 1 14  0  19 o 300.6818 8.330921 4453.535       244.7665 4453.535       244.7665 4453.535       244.7665 300.6818 8.330921 300.6818 8.330921 0.000000       0.000000 
1 1 1 14  0  20 o 102.4853 4.332402 517.4016       43.28362 517.4016       43.28362 517.4016       43.28362 102.4853 4.332402 102.4853 4.332402 0.000000       0.000000 
1 1 1 14  0  21 o 65.25411 4.632013 211.8233       29.23686 211.8233       29.23686 211.8233       29.23686 65.25411 4.632013 65.25411 4.632013 0.000000       0.000000 
1 1 1 14  0  22 o 153.4027 7.029397 1163.000       105.0434 1163.000       105.0434 1163.000       105.0434 153.4027 7.029397 153.4027 7.029397 0.000000       0.000000 
1 1 1 14  0  23 o 60.28668 6.273030 184.1000       36.01671 184.1000       36.01671 184.1000       36.01671 60.28668 6.273030 60.28668 6.273030 0.000000       0.000000 
1 1 1 14  0  24 f 109.1984 6.093844 590.8000       64.66766 590.8000       64.66766 590.8000       64.66766 109.1984 6.093844 109.1984 6.093844 0.000000       0.000000 
1 1 1 14  0  25 o 14.65960 9.674852 -7.472000      35.78771 -7.472000      35.78771 -7.472000      35.78771 14.65960 9.674852 14.65960 9.674852 0.000000       0.000000 
1 1 1 14  0  26 o 18.15780 9.120513 23.91539       19.92058 23.91539       19.92058 23.91539       19.92058 18.15780 9.120513 18.15780 9.120513 0.000000       0.000000 
1 1 1 14  0  27 o 281.6586 11.46534 3961.000       314.9010 3961.000       314.9010 3961.000       314.9010 281.6586 11.46534 281.6586 11.46534 0.000000       0.000000 
1 1 1 14  0  28 o 68.03741 7.767429 237.0000       49.98645 237.0000       49.98645 237.0000       49.98645 68.03741 7.767429 68.03741 7.767429 0.000000       0.000000 
1 1 1 14  0  29 o 53.52135 4.845035 144.0986       24.87992 144.0986       24.87992 144.0986       24.87992 53.52135 4.845035 53.52135 4.845035 0.000000       0.000000 
1 1 1 14  0  30 o 44.05270 5.492628 99.79395       22.69117 99.79395       22.69117 99.79395       22.69117 44.05270 5.492628 44.05270 5.492628 0.000000       0.000000 
1 1 1 14  0  31 o 33.10231 7.576365 61.81665       21.38268 61.81665       21.38268 61.81665       21.38268 33.10231 7.576365 33.10231 7.576365 0.000000       0.000000 
1 1 1 14  0  32 o 58.45193 4.655838 171.2180       26.23766 171.2180       26.23766 171.2180       26.23766 58.45193 4.655838 58.45193 4.655838 0.000000       0.000000 
1 1 1 14  0  33 o 67.22709 4.474509 225.2832       29.14014 225.2832       29.14014 225.2832       29.14014 67.22709 4.474509 67.22709 4.474509 0.000000       0.000000 
1 1 1 14  0  34 o 161.5964 5.275618 1293.101       83.24542 1293.101       83.24542 1293.101       83.24542 161.5964 5.275618 161.5964 5.275618 0.000000       0.000000 
1 1 1 14  0  35 o 66.88036 4.654092 223.6564       30.12290 223.6564       30.12290 223.6564       30.12290 66.88036 4.654092 66.88036 4.654092 0.000000       0.000000 
1 1 1 14  0  36 o 41.32123 6.148326 89.96388       23.24951 89.96388       23.24951 89.96388       23.24951 41.32123 6.148326 41.32123 6.148326 0.000000       0.000000 
1 1 1 14  0  37 o 7.095215 5.136670 -37.03300      18.96840 -37.03300      18.96840 -37.03300      18.96840 7.095215 5.136670 7.095215 5.136670 0.000000       0.000000 
1 1 1 14  0  38 o 11.17203 7.269152 -0.9655417     19.16295 -0.9655417     19.16295 -0.9655417     19.16295 11.17203 7.269152 11.17203 7.269152 0.000000       0.000000 
1 1 1 14  0  39 o 117.0155 4.643816 680.1102       52.99865 680.1102       52.99865 680.1102       52.99865 117.0155 4.643816 117.0155 4.643816 0.000000       0.000000 
1 1 1 14  0  40 o 47.70252 5.777143 117.9399       25.92373 117.9399       25.92373 117.9399       25.92373 47.70252 5.777143 47.70252 5.777143 0.000000       0.000000 
1 1 1 14  0  41 o 54.70668 5.353921 152.9770       27.99533 152.9770       27.99533 152.9770       27.99533 54.70668 5.353921 54.70668 5.353921 0.000000       0.000000 
1 1 1 14  0  42 o 17.24580 9.329314 22.18822       21.99623 22.18822       21.99623 22.18822       21.99623 17.24580 9.329314 17.24580 9.329314 0.000000       0.000000 
1 1 1 14  0  43 o 11.60272 7.741525 -5.963000      23.97201 -5.963000      23.97201 -5.963000      23.97201 11.60272 7.741525 11.60272 7.741525 0.000000       0.000000 
1 1 1 14  0  44 o 16.10820 9.572303 16.43000       26.33103 16.43000       26.33103 16.43000       26.33103 16.10820 9.572303 16.10820 9.572303 0.000000       0.000000 
1 1 1 14  0  45 o 14.43065 8.726300 11.75607       22.64297 11.75607       22.64297 11.75607       22.64297 14.43065 8.726300 14.43065 8.726300 0.000000       0.000000 
1 1 1 14  0  46 o 59.46710 9.448331 197.2000       50.84459 197.2000       50.84459 197.2000       50.84459 59.46710 9.448331 59.46710 9.448331 0.000000       0.000000 
1 1 1 14  0  47 o 37.83216 7.804596 81.46442       25.51965 81.46442       25.51965 81.46442       25.51965 37.83216 7.804596 37.83216 7.804596 0.000000       0.000000 
1 1 1 14  0  48 o 93.65886 4.737825 442.0183       43.17952 442.0183       43.17952 442.0183       43.17952 93.65886 4.737825 93.65886 4.737825 0.000000       0.000000 
1 1 1 14  0  49 o 149.5355 5.302008 1130.413       77.38368 1130.413       77.38368 1130.413       77.38368 149.5355 5.302008 149.5355 5.302008 0.000000       0.000000 
1 1 1 14  0  50 f 15.46746 8.995832 16.88538       22.40970 16.88538       22.40970 16.88538       22.40970 15.46746 8.995832 15.46746 8.995832 0.000000       0.000000 
1 1 1 14  0  51 o 16.48265 9.333193 20.52850       23.19515 20.52850       23.19515 20.52850       23.19515 16.48265 9.333193 16.48265 9.333193 0.000000       0.000000 
1 1 1 14  0  52 o 18.84214 9.854095 28.60677       23.84521 28.60677       23.84521 28.60677       23.84521 18.84214 9.854095 18.84214 9.854095 0.000000       0.000000 
1 1 1 14  0  53 o 74.02336 5.234182 280.7740       37.48110 280.7740       37.48110 280.7740       37.48110 74.02336 5.234182 74.02336 5.234182 0.000000       0.000000 
1 1 1 14  0  54 o 16.12664 9.871670 15.91000       29.75270 15.91000       29.75270 15.91000       29.75270 16.12664 9.871670 16.12664 9.871670 0.000000       0.000000 
1 1 1 14  0  55 o 42.46246 8.012261 102.8216       29.84367 102.8216       29.84367 102.8216       29.84367 42.46246 8.012261 42.46246 8.012261 0.000000       0.000000 
1 1 1 14  0  56 o 26.21331 10.88577 52.34082       27.82219 52.34082       27.82219 52.34082       27.82219 26.21331 10.88577 26.21331 10.88577 0.000000       0.000000 
1 1 1 14  0  57 o 21.89590 11.31263 41.04000       31.15857 41.04000       31.15857 41.04000       31.15857 21.89590 11.31263 21.89590 11.31263 0.000000       0.000000 
1 1 1 14  0  58 o 37.39272 15.14721 117.6000       54.22197 117.6000       54.22197 117.6000       54.22197 37.39272 15.14721 37.39272 15.14721 0.000000       0.000000 
1 1 1 14  1  0  o 661.6052 12.36170 21594.94       800.5408 22039.76       1149.988 21176.71       1115.090 665.3981 17.67218 652.3506 17.47890 13.04755       24.85594 
1 1 1 14  1  1  o 197.3047 5.806506 1910.296       112.0175 1783.000       151.9110 2062.000       165.8367 190.3597 8.171857 204.7218 8.292969 -14.36212      11.64270 
1 1 1 14  1  2  o 357.2152 6.825126 6260.712       238.6420 6262.460       338.2859 6258.982       336.7011 356.6811 9.698417 356.5910 9.655346 0.9002686E-01  13.68521 
1 1 1 14  1  3  o 57.96916 4.203607 165.4863       23.68998 151.1000       33.09710 180.6000       33.92357 55.15568 6.239931 60.41346 5.808178 -5.257778      8.524769 
1 1 1 14  1  4  o 182.0784 4.469440 1624.362       79.65585 1672.617       99.45026 1538.000       133.0446 184.6273 5.509215 176.8095 7.706010 7.817810       9.472805 
1 1 1 14  1  5  o 36.46293 4.534414 66.14974       15.83509 18.86000       26.52649 92.33167       19.73773 22.99094 8.659767 43.14655 4.752133 -20.15561      9.877973 
1 1 1 14  1  6  f 235.4051 4.708410 2715.770       108.4917 2749.850       154.7886 2682.861       152.1073 236.6216 6.689818 233.7236 6.655549 2.898056       9.436630 
1 1 1 14  1  7  o 117.1279 2.999545 672.2492       34.36089 650.3330       48.15149 694.9893       49.04819 115.1270 4.280388 119.0237 4.216675 -3.896660      6.008500 
1 1 1 14  1  8  o 167.2299 3.635449 1369.907       59.50840 1396.187       85.30198 1344.992       83.05807 168.6706 5.172817 165.5500 5.131818 3.120605       7.286535 
1 1 1 14  1  9  o 235.0431 4.704830 2708.051       108.2425 2758.104       155.0615 2660.479       151.1686 236.9205 6.693148 232.6932 6.643800 4.227325       9.430711 
1 1 1 14  1  10 o 77.13768 2.810561 291.7726       21.18553 289.1621       30.43422 294.2267       29.50892 76.71022 4.067786 77.39285 3.907996 -0.6826248     5.640861 
1 1 1 14  1  11 o 260.2259 5.137094 3321.213       130.8502 3245.079       182.4647 3401.820       187.7487 256.8533 7.264804 262.9816 7.300720 -6.128296      10.29941 
1 1 1 14  1  12 o 75.23061 2.824008 277.5667       20.75845 262.8301       29.31968 292.3783       29.39424 73.11511 4.113398 77.14397 3.905432 -4.028862      5.672076 
1 1 1 14  1  13 o 203.4201 4.217312 2028.364       83.97227 2000.684       117.9187 2056.844       119.6088 201.7802 5.976911 204.5948 5.978997 -2.814545      8.454104 
1 1 1 14  1  14 o 261.2026 5.168837 3347.394       132.1528 3351.807       187.2605 3343.015       186.5263 260.9456 7.338741 260.6068 7.319452 0.3388062      10.36492 
1 1 1 14  1  15 o 211.7273 4.360475 2198.114       90.36845 2246.166       129.5565 2152.582       126.1136 213.7345 6.199229 209.2363 6.164423 4.498199       8.742456 
1 1 1 14  1  16 o 107.8190 3.008094 569.9239       31.71526 582.8103       45.45024 557.6941       44.27707 108.9377 4.270652 106.5623 4.253460 2.375351       6.027470 
1 1 1 14  1  17 o 24.18979 5.547454 29.88457       12.85469 29.08310       18.28394 30.66795       18.07640 24.16474 7.195377 24.69158 7.100564 -0.5268440     10.10898 
1 1 1 14  1  18 o 141.4434 3.371078 980.4272       46.67215 979.9292       66.21697 980.9189       65.79384 141.2312 4.796927 141.3063 4.763638 -0.7508850E-01 6.760381 
1 1 1 14  1  19 o 129.2098 3.258330 818.6588       41.17655 779.8940       57.17284 860.4365       59.35321 125.9847 4.644186 132.3447 4.588691 -6.359993      6.528748 
1 1 1 14  1  20 o 51.93043 3.474379 132.7749       17.55899 117.8474       24.63724 148.1843       25.03178 48.70624 5.250608 54.74683 4.717135 -6.040585      7.058347 
1 1 1 14  1  21 o 161.3649 4.199147 1278.246       66.26851 1272.000       112.0534 1281.605       82.18051 160.5084 7.150106 161.4455 5.207211 -0.9370880     8.845284 
1 1 1 14  1  22 o 241.0164 5.628116 2855.944       132.7749 2883.000       228.9993 2842.243       162.9629 240.8792 9.732485 240.0548 6.942702 0.8243866      11.95501 
1 1 1 14  1  23 o 204.7977 8.604998 2080.000       172.1129 0.000000       0.000000 2080.000       172.1129 ?        ?        204.7977 8.604998 ?              ?        
1 1 1 14  1  24 o 127.8205 3.785198 802.2150       47.30606 769.4849       57.63344 869.8000       82.81836 125.0702 4.716209 132.7106 6.394325 -7.640327      7.945440 
1 1 1 14  1  25 o 145.0114 4.811931 1034.727       68.20650 1004.000       94.59588 1068.000       98.43581 142.4554 6.803685 146.9216 6.863780 -4.466187      9.664451 
1 1 1 14  1  26 o 142.0609 4.066299 991.8855       56.48500 971.3024       67.70841 1039.000       102.4387 140.4379 4.933182 144.7413 7.253567 -4.303345      8.772144 
1 1 1 14  1  27 o 65.26632 3.926068 209.9761       24.96552 196.6793       28.90759 249.0000       49.52264 63.05524 4.717853 70.53186 7.277561 -7.476620      8.673006 
1 1 1 14  1  28 o 134.9013 3.992308 895.2811       52.65850 898.9000       93.82462 893.6169       63.62408 134.4100 7.157271 134.6134 4.836525 -0.2033539     8.638200 
1 1 1 14  1  29 o 76.55254 3.636962 288.6296       27.17446 0.000000       0.000000 288.6296       27.17446 ?        ?        76.55254 3.636962 ?              ?        
1 1 1 14  1  30 o 75.91304 3.033904 283.4264       22.49825 282.2130       31.48131 284.6930       32.16436 75.56850 4.273456 75.88795 4.348281 -0.3194580     6.096718 
1 1 1 14  1  31 o 101.2175 3.074167 503.8502       30.42184 505.3179       42.86940 502.3612       43.17821 101.1217 4.341197 100.8149 4.386058 0.3068695      6.171183 
1 1 1 14  1  32 o 41.09321 3.920552 83.99345       15.57879 79.90529       21.78756 88.27016       22.28429 39.69551 5.776763 41.80372 5.585656 -2.108212      8.035581 
1 1 1 14  1  33 o 119.2103 3.209767 699.8822       37.41953 712.0182       53.10332 687.9129       52.73701 119.8696 4.534090 117.8046 4.582221 2.064957       6.446295 
1 1 1 14  1  34 f 46.88997 3.711396 109.1893       16.89544 118.5068       24.01191 100.0529       23.77732 48.55476 5.129755 44.45636 5.587258 4.098400       7.584974 
1 1 1 14  1  35 o 56.74303 3.437315 159.4179       19.00188 162.9515       26.81867 155.8556       26.92708 57.05043 4.848438 55.74931 4.987123 1.301121       6.955483 
1 1 1 14  1  36 o 11.58291 5.280331 -8.097987      13.22991 0.7920034      18.81197 -16.79765      18.60950 16.00013 6.821730 12.86874 6.005161 3.131394       9.088342 
1 1 1 14  1  37 o 64.43658 3.259680 205.4745       20.49277 202.3045       28.69525 208.7742       29.27577 63.57741 4.643073 64.58514 4.662325 -1.007736      6.579924 
1 1 1 14  1  38 o 88.17284 3.127494 384.1867       26.94940 354.1542       37.03598 417.9827       39.28807 84.21322 4.509454 91.55053 4.397088 -7.337311      6.298378 
1 1 1 14  1  39 o 41.57539 4.196535 86.83599       16.84436 100.6851       24.10016 73.60931       23.55232 44.35521 5.681243 37.50587 6.659395 6.849342       8.753516 
1 1 1 14  1  40 o 13.74651 5.932104 -0.7078807     14.54846 6.843713       20.48911 -8.386873      20.66122 17.81254 7.320631 14.95672 6.729678 2.855822       9.943852 
1 1 1 14  1  41 o 14.18948 6.048032 0.8974354      14.77936 14.05968       21.02102 -11.96886      20.78334 19.60500 7.626538 14.40000 6.584989 5.205000       10.07602 
1 1 1 14  1  42 o 39.06343 5.110100 78.41705       19.07114 88.63139       24.83602 63.74000       29.77119 41.05555 6.387896 33.74686 8.890367 7.308697       10.94732 
1 1 1 14  1  43 o 45.96309 4.524993 107.4637       20.09422 92.21420       25.73128 131.3000       32.17010 41.70865 6.515729 49.76271 6.780754 -8.054062      9.403901 
1 1 1 14  1  44 o 18.24541 6.725944 14.72220       15.83488 -12.11257      22.29694 42.02889       22.49214 14.84249 6.799809 27.54902 7.919940 -12.70653      10.43853 
1 1 1 14  1  45 o 55.47828 5.390493 159.2007       28.90378 163.0000       35.55727 151.8000       49.62603 55.36018 6.697846 50.76479 10.33876 4.595390       12.31873 
1 1 1 14  1  46 o 35.77221 5.119340 66.61156       17.41484 87.61850       25.01095 46.84277       24.26269 40.42528 6.544315 28.80775 8.207911 11.61753       10.49752 
1 1 1 14  1  47 o 47.44552 5.140575 116.7498       23.49240 145.6000       46.85382 107.0611       27.15204 49.56319 10.00306 44.75299 6.378653 4.810207       11.86374 
1 1 1 14  1  48 o 38.81857 4.821355 78.13342       17.92594 64.78284       24.84392 92.63269       25.89067 33.91433 7.664890 41.36867 6.616773 -7.454334      10.12582 
1 1 1 14  1  49 o 55.71341 3.849557 157.2856       20.86404 163.7949       29.31219 150.6010       29.70413 55.94608 5.420528 53.39820 5.774859 2.547882       7.920299 
1 1 1 14  1  50 o 32.83890 5.611524 57.69916       17.39007 38.08115       24.12740 78.90906       25.08721 25.80796 8.362447 37.68140 7.061114 -11.87344      10.94485 
1 1 1 14  1  51 o 46.22938 4.328599 109.9085       19.35939 100.5052       27.20897 119.5496       27.55084 42.79948 6.715643 47.15393 6.112845 -4.354443      9.081120 
1 1 1 14  1  52 f 17.51793 6.815063 12.48856       16.78647 37.31811       23.97560 -11.38708      23.51054 25.48249 8.341616 15.10096 6.941902 10.38153       10.85231 
1 1 1 14  1  53 f 12.84749 5.874694 -8.219388      16.53834 -5.024562      23.55257 -11.32684      23.22827 16.01444 7.197080 14.99117 6.894602 1.023271       9.966619 
1 1 1 14  1  54 o 38.03886 6.966298 80.77148       24.98240 33.00000       50.78050 96.02580       28.69518 26.62744 11.27457 41.25806 7.376258 -14.63062      13.47313 
1 1 1 14  1  55 o 33.31402 6.716392 62.02250       21.14419 74.99612       27.65911 43.78000       32.79820 35.78146 8.087986 27.06594 9.723744 8.715521       12.64780 
1 1 1 14  1  56 o 15.51617 6.777031 0.5482765      19.46586 10.35631       25.89297 -12.20000      29.52002 19.19868 8.085890 16.80005 7.743150 2.398626       11.19545 
1 1 1 14  1  57 o 19.41384 7.869542 14.88583       23.28226 5.621632       26.28465 48.63000       50.16464 18.34123 7.944253 28.14498 11.49806 -9.803741      13.97557 
1 1 1 14  1  58 o 24.47653 7.891694 35.46160       21.50404 36.97000       34.00823 34.45673       27.75759 25.11121 9.719234 24.26536 8.911888 0.8458519      13.18656 
1 1 1 14  2  0  o 346.0008 6.620116 5872.850       224.2069 5774.642       314.2201 5974.711       320.0120 342.5652 9.379798 348.4510 9.391057 -5.885834      13.27300 
1 1 1 14  2  1  o 265.5095 5.216988 3455.207       135.5833 3486.896       193.2240 3424.470       190.2968 266.4225 7.416634 264.0311 7.370474 2.391388       10.45611 
1 1 1 14  2  2  o 187.9786 4.566602 1731.368       84.02487 1589.000       138.3302 1814.609       105.7743 179.7103 7.883075 192.3059 5.625336 -12.59557      9.684383 
1 1 1 14  2  3  o 382.7346 7.264606 7190.385       272.1548 6949.456       376.0251 7455.440       394.4023 375.5862 10.23779 388.9964 10.36752 -13.41022      14.57044 
1 1 1 14  2  4  o 101.7241 2.896752 507.0891       28.81368 512.3036       41.42234 502.2004       40.10688 102.1772 4.150296 101.1689 4.058334 1.008308       5.804742 
1 1 1 14  2  5  o 71.16503 3.323882 248.5641       23.08963 295.5000       43.37882 230.0092       27.27437 77.41401 5.766101 68.39832 4.092547 9.015686       7.070846 
1 1 1 14  2  6  o 240.4339 4.795847 2833.256       112.8671 2801.587       158.6344 2865.722       160.6204 238.8199 6.793010 241.5392 6.800478 -2.719299      9.612049 
1 1 1 14  2  7  o 143.6494 3.311265 1010.633       46.55905 1002.755       66.05919 1018.408       65.63176 142.9579 4.727336 144.0757 4.660029 -1.117783      6.638041 
1 1 1 14  2  8  o 329.2342 6.321948 5319.539       203.7333 5353.090       289.7056 5286.710       286.5648 329.6915 8.985622 327.6490 8.943637 2.042511       12.67794 
1 1 1 14  2  9  o 89.93253 2.815139 396.4457       24.75071 359.3905       34.86789 434.0800       35.13926 85.53737 4.177138 94.05007 3.825026 -8.512703      5.663860 
1 1 1 14  2  10 o 59.71590 2.914616 175.0535       16.98493 151.8076       24.73652 195.7893       23.36292 55.45967 4.598042 63.10044 3.800195 -7.640778      5.965189 
1 1 1 14  2  11 o 12.83606 5.356483 1.454505       11.20320 5.515440       17.21703 -1.527658      14.75404 16.69982 6.768069 13.89559 5.984972 2.804233       9.034746 
1 1 1 14  2  12 o 248.3412 4.942618 3024.654       120.1468 3051.579       171.2516 2998.554       168.6057 249.0820 7.031060 246.9151 6.983205 2.166901       9.909639 
1 1 1 14  2  13 o 79.76685 2.857844 312.0277       22.27742 325.1033       32.21142 300.0393       30.84315 81.34233 4.058456 78.13675 4.046498 3.205582       5.731075 
1 1 1 14  2  14 o 263.4155 5.205859 3404.577       134.2270 3448.664       191.6097 3362.095       188.0905 264.6703 7.403430 261.3337 7.360344 3.336670       10.43961 
1 1 1 14  2  15 o 104.6237 2.978471 536.6297       30.47105 549.4055       43.95615 524.8109       42.27798 105.7704 4.254379 103.3777 4.186784 2.392754       5.968995 
1 1 1 14  2  16 o 189.6467 4.024055 1763.241       74.69909 1756.346       105.6428 1770.136       105.6381 189.0252 5.716278 189.7698 5.693491 -0.7445679     8.067941 
1 1 1 14  2  17 o 48.28047 3.364114 114.7793       15.79876 100.1767       22.44804 129.1113       22.23907 44.87621 5.206955 51.10896 4.491047 -6.232754      6.876182 
1 1 1 14  2  18 o 233.3116 4.728488 2671.069       107.9854 2614.300       150.8749 2730.693       154.6228 230.4209 6.696533 235.4947 6.714749 -5.073807      9.483217 
1 1 1 14  2  19 o 80.95209 2.987333 321.5113       23.63047 314.1901       33.39918 328.8495       33.43791 79.91920 4.285182 81.77634 4.191374 -1.857140      5.994198 
1 1 1 14  2  20 o 32.31822 5.115321 52.53531       15.64371 55.19000       24.22122 50.63535       20.49083 32.80725 7.679134 31.46944 6.847270 1.337807       10.28855 
1 1 1 14  2  21 o 67.99847 3.942244 227.5283       26.12659 221.9000       36.12614 233.7000       37.82988 66.96708 5.561440 68.72148 5.674407 -1.754402      7.945345 
1 1 1 14  2  22 o 255.4712 7.280676 3221.381       181.8766 0.000000       0.000000 3221.381       181.8766 ?        ?        255.4712 7.280676 ?              ?        
1 1 1 14  2  23 o 36.63696 4.695202 66.98727       16.45106 72.89409       23.96222 61.72092       22.62588 37.90881 6.702882 34.78440 6.889062 3.124416       9.611857 
1 1 1 14  2  24 o 148.4720 4.064287 1082.668       59.01013 1083.542       72.83556 1081.000       100.6694 148.3948 5.021629 147.8535 6.975674 0.5412903      8.595160 
1 1 1 14  2  25 o 61.03907 4.702794 184.1753       27.88116 184.1753       27.88116 0.000000       0.000000 61.03907 4.702794 ?        ?        ?              ?        
1 1 1 14  2  26 o 90.56248 5.638979 405.6000       49.73875 405.6000       49.73875 0.000000       0.000000 90.56248 5.638979 ?        ?        ?              ?        
1 1 1 14  2  27 o 93.76945 3.728409 432.4218       34.15265 462.1236       41.38424 369.0000       60.47320 96.85458 4.376553 86.00268 7.251129 10.85191       8.469539 
1 1 1 14  2  28 o 41.28110 3.993320 84.53993       15.93460 94.85000       27.44070 79.29461       19.57270 43.26921 6.695028 39.78378 5.146667 3.485432       8.444618 
1 1 1 14  2  29 o 67.93777 3.822534 227.6375       25.31708 0.000000       0.000000 227.6375       25.31708 ?        ?        67.93777 3.822534 ?              ?        
1 1 1 14  2  30 o 127.8033 3.863180 804.4858       48.27188 797.8000       85.13258 807.6541       58.60344 126.3968 6.907280 127.8636 4.690365 -1.466728      8.349255 
1 1 1 14  2  31 o 123.2313 3.232706 747.0229       38.95993 734.2765       54.58529 760.2594       55.62473 121.8614 4.584357 123.9998 4.590829 -2.138458      6.487838 
1 1 1 14  2  32 o 51.22272 3.493079 129.7604       17.40888 121.3614       24.12080 138.8925       25.15125 49.23854 5.077450 52.74038 4.929129 -3.501831      7.076497 
1 1 1 14  2  33 o 93.05282 3.045524 426.3737       27.70208 416.7032       38.46522 436.7944       39.92908 91.71354 4.296724 93.88725 4.356746 -2.173706      6.119074 
1 1 1 14  2  34 o 83.47915 3.038324 343.4925       24.78524 346.9630       34.82555 339.9303       35.28217 83.61387 4.269269 82.73199 4.372404 0.8818741      6.111020 
1 1 1 14  2  35 o 119.9227 3.258041 709.4999       38.20864 739.5476       54.58626 680.6356       53.50045 121.9667 4.580452 116.9599 4.682663 5.006729       6.550410 
1 1 1 14  2  36 o 110.0542 3.182471 597.8036       34.24686 610.9365       48.53416 584.7802       48.33123 110.8010 4.484312 108.3662 4.566700 2.434830       6.400297 
1 1 1 14  2  37 o 93.22911 3.110670 429.2215       28.34674 413.5985       39.60219 445.6360       40.59285 91.08688 4.455297 94.57880 4.396831 -3.491920      6.259536 
1 1 1 14  2  38 o 130.5560 3.372949 843.0113       43.06743 835.1761       60.40169 851.1141       61.42426 129.2679 4.781912 130.4767 4.817784 -1.208801      6.788057 
1 1 1 14  2  39 o 58.90821 3.494169 172.3958       20.05721 188.9777       28.15917 155.3197       28.57578 61.31798 4.728144 55.35025 5.340634 5.967735       7.132862 
1 1 1 14  2  40 o 102.0081 3.234775 515.3052       32.25785 519.6669       45.21117 510.7822       46.03907 101.8610 4.545976 100.9196 4.673323 0.9414673      6.519650 
1 1 1 14  2  41 o 87.45444 3.629058 380.7675       30.99826 401.9047       39.52683 347.0000       49.95963 89.43468 4.529983 82.11429 6.263013 7.320389       7.729559 
1 1 1 14  2  42 o 52.86422 4.219615 140.8375       21.65328 139.4490       27.74742 143.0000       34.62768 52.07309 5.528175 52.02390 6.975722 0.4919434E-01  8.900641 
1 1 1 14  2  43 o 70.63038 3.417589 248.9583       23.55737 285.9513       33.85706 214.2426       32.79844 75.11702 4.627194 64.67208 5.225665 10.44494       6.979864 
1 1 1 14  2  44 o 27.07710 7.530861 40.38588       20.68288 53.96065       23.29134 -10.24000      44.97950 31.20480 7.678605 21.68831 9.827675 9.516487       12.47173 
1 1 1 14  2  45 o 31.50985 5.944714 52.87466       17.66301 61.01591       24.83370 44.53968       25.12743 33.08043 7.797692 28.15726 8.447248 4.923164       11.49609 
1 1 1 14  2  46 o 56.41184 4.149348 161.2239       22.75133 162.2000       35.89124 160.5682       29.41661 55.06562 6.803432 55.61039 5.475117 -0.5447731     8.732903 
1 1 1 14  2  47 o 56.11466 3.788301 158.9204       20.68589 149.1463       28.50291 169.7976       30.06836 53.45569 5.527020 57.11737 5.443946 -3.661678      7.757867 
1 1 1 14  2  48 f 62.49149 4.514295 199.7328       27.42709 201.0000       53.39064 199.2785       31.96757 58.53992 9.653878 61.90440 5.327494 -3.364475      11.02631 
1 1 1 14  2  49 f 50.06979 4.128071 127.8400       20.05198 111.1607       27.99271 145.4187       28.73752 45.36314 6.488909 52.51770 5.680642 -7.154556      8.624130 
1 1 1 14  2  50 o 34.72660 5.386181 63.98752       17.71571 70.21147       25.29941 57.99954       24.81519 35.18514 7.570552 31.66933 8.003081 3.515804       11.01647 
1 1 1 14  2  51 o 20.10702 6.959309 21.00835       16.68092 34.42324       23.75428 7.957422       23.42983 24.69892 8.310160 18.28180 7.695245 6.417124       11.32588 
1 1 1 14  2  52 o 48.35000 4.304011 120.2088       20.15661 134.1469       29.28631 107.6635       27.78446 49.92574 6.120754 44.34885 6.601417 5.576889       9.002351 
1 1 1 14  2  53 o 17.18824 7.308854 5.459773       21.49462 -29.18000      47.44461 14.40582       24.11098 19.66061 9.302588 19.70236 8.000350 -0.4174805E-01 12.26963 
1 1 1 14  2  54 o 40.99973 5.151742 88.62659       20.21947 64.38911       27.84679 115.6547       29.40621 32.85839 8.570248 45.81666 6.759877 -12.95827      10.91536 
1 1 1 14  2  55 o 14.43853 6.451999 -3.779347      18.63739 -11.85031      24.70891 6.873000       28.38662 15.37912 7.086759 19.21114 8.288233 -3.832012      10.90490 
1 1 1 14  2  56 o 32.32440 7.961042 61.43354       25.01997 71.11658       28.39785 27.84000       52.89413 34.47204 8.476336 25.92139 11.24831 8.550652       14.08448 
1 1 1 14  2  57 o 13.66247 6.224685 -7.283590      18.35090 -0.3958435     25.81878 -14.31545      26.08749 17.24176 7.656099 15.41514 7.165350 1.826613       10.48609 
1 1 1 14  2  58 o 33.90253 6.969505 65.94104       22.35486 78.25000       35.06758 57.51459       29.01467 34.48895 9.881024 30.12743 9.085896 4.361519       13.42342 
1 1 1 14  3  0  o 307.2110 5.947048 4628.041       178.8317 4644.475       254.8893 4612.109       250.9686 307.3310 8.481145 306.2747 8.379352 1.056305       11.92239 
1 1 1 14  3  1  o 144.5408 3.843555 1024.047       54.33056 918.5000       89.10526 1086.509       68.54677 136.6624 6.681385 148.8312 4.711229 -12.16882      8.175364 
1 1 1 14  3  2  o 347.5974 6.639380 5927.992       225.8969 5939.064       320.1487 5917.014       318.7887 347.3592 9.424712 346.7181 9.402022 0.6410828      13.31252 
1 1 1 14  3  3  o 188.4865 3.962495 1740.319       73.10637 1730.745       103.4534 1749.868       103.3228 187.7968 5.634322 188.8358 5.596094 -1.038986      7.941149 
1 1 1 14  3  4  o 341.3310 6.532311 5716.379       218.2473 5696.890       308.3410 5735.947       308.9563 340.1914 9.268439 341.3593 9.255078 -1.167847      13.09811 
1 1 1 14  3  5  o 282.6194 5.511191 3916.394       152.4592 3948.585       217.2419 3885.153       214.0141 283.4027 7.838820 281.1241 7.784961 2.278595       11.04775 
1 1 1 14  3  6  o 135.4330 3.228191 898.2840       42.79469 875.9291       60.56738 920.5703       60.47439 133.6098 4.638242 136.9850 4.516336 -3.375259      6.473838 
1 1 1 14  3  7  o 132.0804 3.178486 854.3709       41.09271 884.1912       59.73138 827.5754       56.62103 134.2411 4.552391 129.8739 4.460616 4.367249       6.373489 
1 1 1 14  3  8  o 32.92545 4.178879 53.97247       13.16488 54.09207       20.66991 53.89083       17.07644 32.60079 6.701533 32.70106 5.532008 -0.1002731     8.689859 
1 1 1 14  3  9  o 113.6588 2.981686 633.0934       33.14332 620.0458       47.62639 645.3457       46.15184 112.3954 4.337193 114.6848 4.117965 -2.289375      5.980709 
1 1 1 14  3  10 o 169.0096 3.673701 1399.458       60.77451 1346.770       84.88938 1454.860       87.04752 165.6242 5.242891 172.1558 5.171556 -6.531631      7.364299 
1 1 1 14  3  11 o 170.4486 3.703353 1423.497       61.78669 1409.319       87.63973 1437.509       87.12171 169.4155 5.291447 171.1119 5.207698 -1.696350      7.424253 
1 1 1 14  3  12 o 163.8263 3.609547 1315.021       57.88189 1298.318       81.95907 1331.641       81.75600 162.6063 5.155877 164.6900 5.077680 -2.083679      7.236428 
1 1 1 14  3  13 o 73.72967 2.838322 266.6362       20.44553 274.3405       30.16716 260.0909       27.80568 74.69759 4.142147 72.74380 3.919566 1.953789       5.702665 
1 1 1 14  3  14 o 179.8515 3.863491 1585.352       68.01431 1577.113       96.31790 1593.547       96.05613 179.1687 5.498610 180.1060 5.454959 -0.9373169     7.745405 
1 1 1 14  3  15 o 177.8132 3.839938 1549.741       66.83353 1568.352       95.55180 1531.916       93.51490 178.6562 5.470494 176.5737 5.417048 2.082550       7.698748 
1 1 1 14  3  16 o 105.4288 3.001754 544.9607       30.94556 528.6614       43.80865 561.1931       43.71874 103.7389 4.323798 106.9005 4.186221 -3.161644      6.018278 
1 1 1 14  3  17 o 406.0762 7.725755 8124.826       307.0822 8239.193       438.7733 8015.027       429.9218 407.3740 11.01385 401.8279 10.94076 5.546082       15.52434 
1 1 1 14  3  18 o 116.1222 3.105010 661.1675       35.26101 657.7961       50.23229 664.4424       49.50877 115.7133 4.443254 116.3057 4.356554 -0.5924377     6.222706 
1 1 1 14  3  19 o 215.2644 5.100599 2275.185       107.4731 2320.000       186.3629 2252.854       131.5516 216.5120 8.812109 213.9360 6.288943 2.575943       10.82608 
1 1 1 14  3  20 o 176.4661 5.362285 1531.105       92.51522 1562.000       131.6920 1501.000       129.9970 177.8324 7.582991 174.3075 7.637772 3.524857       10.76277 
1 1 1 14  3  21 o 262.6385 7.436370 3404.222       190.9801 0.000000       0.000000 3404.222       190.9801 ?        ?        262.6385 7.436370 ?              ?        
1 1 1 14  3  22 o 137.0585 3.391239 920.9290       45.49575 907.1422       64.43396 934.6363       64.24785 135.8222 4.854414 137.8791 4.767689 -2.056915      6.804131 
1 1 1 14  3  23 o 117.9222 3.236381 682.2065       37.32077 670.7626       53.18068 693.3114       52.38734 116.7764 4.661937 118.7442 4.515436 -1.967834      6.490209 
1 1 1 14  3  24 o 112.9746 3.729653 626.8276       41.18697 611.9509       49.83190 658.9000       73.16795 111.5263 4.574534 115.4312 6.502056 -3.904945      7.950037 
1 1 1 14  3  25 o 134.0149 4.804554 883.9896       62.92296 883.9896       62.92296 0.000000       0.000000 134.0149 4.804554 ?        ?        ?              ?        
1 1 1 14  3  26 o 113.0649 3.665231 628.0986       40.50989 610.7897       49.38528 663.7000       70.82666 111.3779 4.539450 115.8013 6.271929 -4.423355      7.742332 
1 1 1 14  3  27 o 110.5284 4.219817 601.3422       45.56960 598.4000       63.33538 604.5000       65.61536 109.9557 5.906347 110.4773 6.091306 -0.5215454     8.484630 
1 1 1 14  3  28 o 30.13969 5.829648 46.37487       16.57636 42.09000       23.71998 50.46496       23.17456 28.67513 8.097305 31.24475 7.641852 -2.569614      11.13392 
1 1 1 14  3  29 o 44.73412 3.840742 99.11787       16.65484 125.1000       28.86546 86.15166       20.39142 49.91710 6.029797 41.47261 5.132634 8.444489       7.918484 
1 1 1 14  3  30 o 74.95259 3.692471 277.0104       27.00667 0.000000       0.000000 277.0104       27.00667 ?        ?        74.95259 3.692471 ?              ?        
1 1 1 14  3  31 o 50.30675 4.267158 125.7069       20.81412 162.0000       39.77112 112.0169       24.42630 56.43077 7.376647 47.25447 5.376402 9.176304       9.128013 
1 1 1 14  3  32 o 41.17240 4.027103 84.40533       16.02220 65.26652       21.59538 107.8404       23.89660 35.64233 6.426338 46.31610 5.370491 -10.67377      8.374962 
1 1 1 14  3  33 o 45.98363 3.714846 104.9458       16.57832 106.5117       22.72364 103.1638       24.24035 46.04248 5.129101 45.19213 5.599565 0.8503456      7.593603 
1 1 1 14  3  34 o 51.12924 3.566276 129.5936       17.73615 117.6454       23.99905 143.9731       26.32779 48.36126 5.148863 53.56874 5.081853 -5.207474      7.234364 
1 1 1 14  3  35 o 101.9662 3.140378 512.8207       31.30593 509.5421       43.53982 516.3300       45.04508 101.2620 4.403248 101.8915 4.527822 -0.6294785     6.315835 
1 1 1 14  3  36 o 39.31596 4.274087 77.56876       16.18381 69.69115       22.12942 86.62630       23.72893 36.68256 6.395574 41.08969 6.083375 -4.407131      8.826710 
1 1 1 14  3  37 o 13.93185 5.884499 1.352228       13.77690 7.754364       19.07277 -5.632663      19.92191 17.63452 7.131948 15.18903 6.735953 2.445492       9.810084 
1 1 1 14  3  38 o 78.09149 3.159440 301.5518       24.10030 317.5331       33.98113 285.3776       34.18574 79.76920 4.368754 75.51365 4.647532 4.255547       6.378524 
1 1 1 14  3  39 o 75.40002 3.181886 281.4342       23.43068 319.2731       33.46766 245.0589       32.81398 79.95403 4.292137 69.82617 4.830810 10.12785       6.462133 
1 1 1 14  3  40 o 55.66941 3.913152 154.8465       21.18723 144.4053       26.43534 173.6000       35.42837 53.35941 5.124282 58.03836 6.339301 -4.678955      8.151381 
1 1 1 14  3  41 o 81.88842 3.653874 334.0697       29.21374 332.1375       36.93176 337.3000       47.75115 81.20279 4.666114 81.05357 6.062661 0.1492157      7.650391 
1 1 1 14  3  42 o 44.26093 4.199001 98.97495       17.97409 102.5753       24.98420 95.11246       25.87775 44.41901 5.891461 42.52116 6.417070 1.897842       8.711377 
1 1 1 14  3  43 o 89.81741 3.853221 404.3329       33.79709 425.8677       40.13082 351.8000       62.67921 91.80608 4.479332 80.65894 8.046223 11.14714       9.209023 
1 1 1 14  3  44 o 37.20385 4.877827 71.36243       17.33572 47.87518       23.32652 100.3385       25.90918 29.30765 7.937220 43.57852 6.252890 -14.27087      10.10436 
1 1 1 14  3  45 o 15.19870 6.311356 4.506214       15.44368 11.10166       21.53588 -2.476283      22.15877 18.75713 7.581176 16.26001 7.162192 2.497122       10.42934 
1 1 1 14  3  46 f 58.07254 3.634720 169.5061       20.55724 170.4209       28.81236 168.5575       29.33946 57.46709 5.177626 57.07301 5.312904 0.3940811      7.418541 
1 1 1 14  3  47 o 14.57378 6.284364 0.6224588      16.30361 -0.5199000     24.78375 1.493942       21.64688 17.37147 7.615641 16.70892 7.223320 0.6625500      10.49640 
1 1 1 14  3  48 o 25.74800 6.504434 36.43454       16.39572 40.56010       23.30733 32.39307       23.06861 26.74616 8.159545 24.34051 8.189344 2.405645       11.56043 
1 1 1 14  3  49 o 16.41367 6.964748 4.200887       19.44778 65.00000       43.92327 -10.62480      21.68970 32.11532 11.28130 14.63574 6.705645 17.47958       13.12377 
1 1 1 14  3  50 o 40.18400 4.813154 84.08534       18.55548 97.29914       26.29865 70.98595       26.18456 42.24297 6.574020 35.23744 7.798142 7.005524       10.19945 
1 1 1 14  3  51 o 19.22511 6.923007 18.28414       16.63661 20.73756       23.48310 15.81198       23.57259 21.08121 8.098233 19.95737 7.978145 1.123840       11.36803 
1 1 1 14  3  52 o 15.52594 6.674272 2.317675       18.28068 32.64000       30.79302 -14.18521      22.71700 24.66898 9.321753 14.43755 6.702569 10.23143       11.48127 
1 1 1 14  3  53 o 30.96219 6.497530 53.15914       19.06294 52.51870       27.01535 53.79427       26.90313 29.61480 8.728142 29.98841 8.674224 -0.3736057     12.30539 
1 1 1 14  3  54 o 35.23939 6.366860 68.20050       21.15334 69.91192       27.36602 65.66000       33.34213 34.50647 8.220032 32.42752 9.731068 2.078945       12.73823 
1 1 1 14  3  55 o 26.46557 8.174859 41.12572       23.30442 34.36422       26.03617 68.37000       52.26284 24.58293 8.681355 31.67814 12.10316 -7.095207      14.89471 
1 1 1 14  3  56 o 31.29159 6.569674 54.78437       19.48040 35.70030       26.74004 76.36766       28.43711 24.87967 8.796850 35.89632 8.264432 -11.01665      12.07002 
1 1 1 14  3  57 f 22.33248 7.449943 28.11608       19.09551 21.14976       26.60516 35.51767       27.42370 21.33480 8.493375 24.70023 8.889225 -3.365425      12.29454 
1 1 1 14  3  58 o 16.15155 6.875698 5.179355       19.05925 -8.259000      27.03238 18.46268       26.87601 16.36457 7.493384 20.67493 8.427488 -4.310364      11.27712 
1 1 1 14  4  0  o 317.5814 6.124478 4946.759       190.3840 4986.526       271.8861 4908.500       266.6766 318.3842 8.732523 315.8999 8.632499 2.484253       12.27913 
1 1 1 14  4  1  o 318.2365 6.126731 4967.272       190.8468 5049.479       273.2713 4889.001       266.6470 320.3860 8.722049 315.2634 8.649031 5.122528       12.28332 
1 1 1 14  4  2  o 315.0573 8.607618 4882.668       265.1989 0.000000       0.000000 4882.668       265.1989 ?        ?        315.0573 8.607618 ?              ?        
1 1 1 14  4  3  o 330.9113 6.347509 5372.120       205.5991 5451.977       293.9834 5295.670       287.6424 332.8311 9.032215 328.0351 8.966727 4.796021       12.72726 
1 1 1 14  4  4  f 81.43375 2.851822 325.1127       22.69668 344.7259       34.08801 309.4932       30.42012 83.77821 4.169957 79.38754 3.926923 4.390671       5.727937 
1 1 1 14  4  5  o 113.5134 3.436692 631.6756       38.14111 581.3000       65.39325 657.6486       46.95520 108.6779 6.172695 115.7824 4.149902 -7.104500      7.438000 
1 1 1 14  4  6  o 266.1090 5.231879 3472.044       136.2773 3455.646       192.8918 3488.386       192.5591 265.1306 7.440075 266.3922 7.391904 -1.261566      10.48785 
1 1 1 14  4  7  o 125.7346 3.116605 774.2469       38.35685 770.4000       55.19655 777.8395       53.34059 125.2950 4.507965 125.9120 4.334435 -0.6170502     6.253725 
1 1 1 14  4  8  o 192.1917 4.027769 1809.924       75.77142 1778.251       106.8827 1841.923       107.4333 190.3002 5.744599 193.6880 5.672811 -3.387848      8.073487 
1 1 1 14  4  9  o 233.2050 4.683515 2666.156       106.9094 2633.627       150.5332 2699.262       151.8611 231.4850 6.650487 234.3576 6.626701 -2.872589      9.388405 
1 1 1 14  4  10 o 132.4001 3.202429 858.6454       41.50247 792.2404       57.76420 929.5018       59.66885 127.0340 4.653366 137.6311 4.434985 -10.59718      6.428289 
1 1 1 14  4  11 o 168.2664 3.672269 1387.289       60.48365 1357.661       85.51465 1416.949       85.55898 166.2774 5.260753 169.8842 5.151198 -3.606842      7.362769 
1 1 1 14  4  12 o 263.4436 5.197365 3404.777       134.0223 3398.897       189.8908 3410.613       189.1835 262.7939 7.389479 263.2548 7.348958 -0.4608765     10.42169 
1 1 1 14  4  13 o 134.1389 3.226080 881.4622       42.35806 843.7460       59.61281 919.9227       60.19815 131.0876 4.653303 136.8984 4.498510 -5.810852      6.472235 
1 1 1 14  4  14 o 146.5511 3.397212 1052.322       48.73241 1008.888       68.40266 1097.089       69.44524 143.3256 4.882899 149.4796 4.752328 -6.154068      6.813760 
1 1 1 14  4  15 o 63.41862 3.009344 197.4669       18.62748 212.8505       27.63808 184.6627       25.21483 65.74270 4.318829 61.22317 4.233669 4.519527       6.047830 
1 1 1 14  4  16 o 54.80788 3.156446 147.6623       16.86191 146.9262       24.45910 148.3290       23.27744 54.53284 4.625827 54.82158 4.374132 -0.2887344     6.366421 
1 1 1 14  4  17 o 123.6417 3.173989 749.5388       38.38110 732.3751       54.27253 766.7108       54.28563 122.0995 4.549043 124.9430 4.445897 -2.843552      6.360801 
1 1 1 14  4  18 o 81.79787 3.271948 328.4049       26.14433 354.8000       43.78684 313.7816       32.59158 84.83727 5.299380 79.87840 4.182981 4.958870       6.751353 
1 1 1 14  4  19 o 146.3520 4.885342 1052.573       69.88607 0.000000       0.000000 1052.573       69.88607 ?        ?        146.3520 4.885342 ?              ?        
1 1 1 14  4  20 o 190.6327 4.102891 1782.492       76.55854 1848.594       111.4780 1723.488       105.3241 193.8223 5.882774 187.1645 5.755918 6.657776       8.230287 
1 1 1 14  4  21 o 78.55515 3.133800 302.9070       24.04804 313.0855       34.64394 293.4418       33.40787 79.74814 4.455853 77.19952 4.439801 2.548622       6.290187 
1 1 1 14  4  22 o 123.9492 3.266345 753.6412       39.59435 766.6312       56.95687 741.4931       55.08001 124.8646 4.668375 122.8071 4.590174 2.057510       6.547017 
1 1 1 14  4  23 o 55.70621 4.198098 153.1618       22.72243 174.3926       28.42778 115.6000       37.81227 59.37451 4.936040 47.64771 8.415075 11.72680       9.755920 
1 1 1 14  4  24 o 162.5157 4.310130 1297.786       68.50282 1318.113       84.56882 1259.000       116.8201 163.6203 5.287343 159.4197 7.507422 4.200531       9.182449 
1 1 1 14  4  25 o 266.2535 5.319640 3488.797       138.6385 3405.084       193.0001 3578.045       199.2795 262.2098 7.527524 268.7689 7.582488 -6.559021      10.68446 
1 1 1 14  4  26 o 66.36112 3.276123 216.5590       21.21463 216.6503       28.88579 216.4520       31.25854 66.23813 4.481613 66.15600 4.861120 0.8213043E-01  6.611758 
1 1 1 14  4  27 o 51.35186 3.775664 130.2128       18.84554 118.6000       28.49755 139.2386       25.12344 48.62673 6.122664 52.95670 4.902406 -4.329971      7.843507 
1 1 1 14  4  28 o 61.13476 3.530223 184.1804       21.03515 168.5000       32.61443 195.3490       27.52526 58.11190 5.811629 62.83558 4.505171 -4.723686      7.353339 
1 1 1 14  4  29 o 166.0394 4.320869 1358.573       70.16479 1408.000       120.8936 1333.467       86.16126 167.9457 7.372039 164.1915 5.368332 3.754196       9.119536 
1 1 1 14  4  30 o 120.2591 3.244012 711.1992       38.15133 677.3000       69.89300 725.5864       45.53312 116.6345 6.143765 121.3549 3.838047 -4.720352      7.244064 
1 1 1 14  4  31 o 48.33776 4.450224 116.3053       20.81976 126.8000       36.99540 111.4410       25.18672 49.66505 7.872357 47.08079 5.573353 2.584263       9.645531 
1 1 1 14  4  32 o 98.64206 3.659648 480.0734       35.27395 514.9000       63.92563 464.8273       42.29599 101.3096 6.480396 96.86821 4.472862 4.441353       7.874136 
1 1 1 14  4  33 o 143.2047 3.475871 1010.613       48.72223 1032.486       69.41484 989.3729       68.40357 144.1671 4.926272 141.1072 4.960203 3.059921       6.990835 
1 1 1 14  4  34 o 109.4819 3.164672 590.9406       33.87826 593.4819       47.59849 588.3313       48.22995 109.3262 4.457325 108.8216 4.537846 0.5046463      6.360801 
1 1 1 14  4  35 o 85.05875 3.111492 356.9883       25.86196 375.1192       36.59745 338.9030       36.55128 86.87255 4.317426 82.49297 4.544231 4.379578       6.268190 
1 1 1 14  4  36 o 83.62237 3.088377 345.2252       25.23552 336.7334       35.05913 354.3553       36.35285 82.22903 4.371526 84.34319 4.418753 -2.114151      6.215756 
1 1 1 14  4  37 o 74.60571 3.147803 275.1514       22.93554 272.2955       31.77756 278.2568       33.13660 73.86228 4.415486 74.62186 4.558403 -0.7595749     6.346303 
1 1 1 14  4  38 f 37.11265 4.471838 69.54456       15.91780 62.29752       21.68813 78.00647       23.43562 34.47208 6.668752 38.76518 6.399400 -4.293095      9.242541 
1 1 1 14  4  39 o 95.46052 3.558218 452.0973       33.18958 443.2353       40.93510 469.1000       56.70101 94.15947 4.454085 96.02518 6.063490 -1.865715      7.523615 
1 1 1 14  4  40 o 86.62792 3.541421 372.8499       29.96575 374.3972       37.45905 370.1000       49.93850 86.43952 4.442191 85.11292 6.033343 1.326599       7.492282 
1 1 1 14  4  41 o 45.77407 4.063361 105.3812       18.01688 113.5756       25.12313 96.70438       25.85194 47.00085 5.568954 43.02232 6.327813 3.978531       8.429380 
1 1 1 14  4  42 o 50.61127 4.736578 130.2587       23.19228 127.7081       26.32583 139.1000       49.01452 49.79230 5.492656 49.01820 10.52973 0.7741089      11.87621 
1 1 1 14  4  43 o 37.42514 4.750891 71.89576       17.01217 63.42432       23.24430 81.66824       24.96549 34.14935 7.181990 39.06236 6.774914 -4.913013      9.873219 
1 1 1 14  4  44 o 39.55340 4.632745 80.17488       17.59666 58.82685       23.78436 105.9908       26.15510 32.61197 7.593246 44.86609 6.114655 -12.25412      9.749174 
1 1 1 14  4  45 o 20.03158 6.789420 20.32066       15.85619 -8.803132      21.26843 56.76299       23.79110 14.89109 6.751717 31.90435 7.705758 -17.01326      10.24521 
1 1 1 14  4  46 o 15.26848 6.261420 5.624457       14.94719 17.39056       20.96346 -6.543046      21.31804 20.08644 7.667574 15.23871 6.847918 4.847735       10.28035 
1 1 1 14  4  47 o 54.61423 3.710848 150.4127       19.71960 162.9603       27.76268 137.6365       28.01447 56.13647 5.108440 51.23393 5.681627 4.902538       7.640487 
1 1 1 14  4  48 o 55.75912 4.147334 158.1324       22.47346 192.3000       35.80418 135.9198       28.86861 60.21025 6.161966 50.68672 5.930687 9.523537       8.552361 
1 1 1 14  4  49 o 16.42077 6.548709 9.200396       15.84437 8.938437       21.95152 9.485300       22.89276 18.16125 7.531561 18.53170 7.688803 -0.3704453     10.76300 
1 1 1 14  4  50 f 33.01257 7.126450 61.15257       22.35252 87.58000       44.52404 52.24747       25.84558 36.49332 11.30411 29.81137 8.463991 6.681953       14.12168 
1 1 1 14  4  51 o 15.07563 6.552075 0.4795063      18.00462 4.222000       28.14463 -2.113036      23.42491 18.86938 8.196477 16.47965 7.306472 2.389729       10.98029 
1 1 1 14  4  52 o 50.36865 4.224693 130.2083       20.63693 140.2749       29.70430 120.8162       28.69207 51.09435 6.057057 47.15731 6.379398 3.937046       8.796855 
1 1 1 14  4  53 o 37.26567 5.883221 74.93245       20.74877 95.13593       27.83787 49.68000       31.12251 41.22683 7.157938 28.59898 9.510215 12.62785       11.90295 
1 1 1 14  4  54 o 14.63226 6.736483 -11.32723      22.25524 9.629988       24.85614 -96.04000      49.97368 18.89513 7.938061 16.15694 8.039116 2.738192       11.29780 
1 1 1 14  4  55 o 61.37080 4.011859 192.5493       23.96769 212.0896       33.56963 172.2316       34.23091 63.29122 5.472432 56.29856 6.320806 6.992653       8.360627 
1 1 1 14  4  56 o 52.95252 4.334142 144.8216       22.26808 139.5215       30.99679 150.4743       32.01135 50.45250 6.421994 52.46322 6.363605 -2.010719      9.040878 
1 1 1 14  4  57 o 30.86636 7.287345 55.23896       21.66186 39.92796       27.85423 78.67000       34.45762 25.77605 8.988817 34.98837 9.716275 -9.212315      13.23650 
1 1 1 14  4  58 o 39.15035 5.722090 83.48993       21.28024 87.59489       30.16726 79.42417       30.02285 38.08154 8.325805 35.92658 8.643142 2.154961       12.00095 
1 1 1 14  5  0  o 464.1963 8.755033 10594.66       397.8008 10865.40       575.4980 10346.94       550.4857 468.7871 12.55316 457.5498 12.30257 11.23730       17.57655 
1 1 1 14  5  1  o 286.4407 5.583708 4023.184       156.5538 4084.740       224.4185 3964.831       218.5011 288.2329 7.962054 283.9829 7.868174 4.249969       11.19386 
1 1 1 14  5  2  o 278.0108 7.694600 3799.404       209.1877 0.000000       0.000000 3799.404       209.1877 ?        ?        278.0108 7.694600 ?              ?        
1 1 1 14  5  3  o 174.2497 4.324447 1487.763       73.75796 1273.000       118.2739 1624.437       94.35249 160.8154 7.534669 181.9467 5.303551 -21.13124      9.214060 
1 1 1 14  5  4  o 91.02216 2.865072 406.0984       25.49457 377.6820       36.71688 432.5538       35.42724 87.68964 4.290735 93.88698 3.863265 -6.197334      5.773666 
1 1 1 14  5  5  o 105.8258 2.948111 548.8452       30.50833 529.1216       43.92686 567.2249       42.40400 103.8220 4.332013 107.5219 4.036225 -3.699883      5.920933 
1 1 1 14  5  6  o 347.5383 6.648571 5929.558       226.1711 5793.204       315.3775 6073.938       324.5273 342.8640 9.406179 351.0673 9.452574 -8.203308      13.33519 
1 1 1 14  5  7  o 133.5937 3.217106 874.1310       42.06856 857.0247       60.30731 890.3446       58.71260 132.1428 4.669856 134.7067 4.458972 -2.563934      6.456778 
1 1 1 14  5  8  o 245.8509 4.894600 2963.580       117.7864 2896.059       164.8033 3034.085       168.4054 242.7108 6.944120 248.4337 6.932088 -5.722946      9.811964 
1 1 1 14  5  9  o 331.3145 6.369269 5389.786       206.5553 5341.462       291.0447 5438.826       293.1936 329.1615 9.041824 332.1542 9.026332 -2.992706      12.77612 
1 1 1 14  5  10 o 72.78387 2.836664 259.8350       20.17052 247.8593       30.59532 269.0415       26.82578 70.96909 4.426364 74.00748 3.715022 -3.038399      5.778762 
1 1 1 14  5  11 o 215.6242 4.405810 2279.322       92.98853 2233.546       130.7667 2326.147       132.2573 213.1717 6.273849 217.5578 6.217052 -4.386093      8.832492 
1 1 1 14  5  12 o 119.3184 3.061284 697.8252       35.72387 700.4651       52.15538 695.4920       49.03157 119.4425 4.468900 119.0383 4.214721 0.4042358      6.142877 
1 1 1 14  5  13 o 97.59984 2.903271 466.9913       27.70511 441.7612       40.06924 490.1018       38.34923 94.82356 4.328480 99.91939 3.928691 -5.095825      5.845541 
1 1 1 14  5  14 o 200.2013 4.177340 1965.098       81.86021 1888.129       113.7115 2047.897       117.9399 195.9750 5.934694 204.1091 5.909484 -8.134140      8.375117 
1 1 1 14  5  15 o 60.11937 3.075737 177.5315       18.03948 161.5168       26.63976 191.0943       24.51575 57.17696 4.804352 62.30176 4.041934 -5.124794      6.278457 
1 1 1 14  5  16 o 192.6341 4.087073 1819.534       77.06405 1778.269       108.0697 1862.228       109.9240 190.1667 5.812637 194.6138 5.776886 -4.447098      8.195069 
1 1 1 14  5  17 o 56.17588 4.167850 155.6071       22.75429 159.1000       31.50868 151.8000       32.89490 56.61617 5.766078 55.22730 6.191588 1.388874       8.460698 
1 1 1 14  5  18 o 96.79330 4.198437 460.3797       39.68305 0.000000       0.000000 460.3797       39.68305 ?        ?        96.79330 4.198437 ?              ?        
1 1 1 14  5  19 o 45.08477 3.796916 100.3659       16.60030 104.9586       23.96389 96.12872       23.01743 45.90575 5.438689 43.89911 5.475375 2.006638       7.717452 
1 1 1 14  5  20 o 63.30925 3.225583 196.9425       19.92269 201.2417       28.73799 192.9645       27.64373 63.86589 4.628477 62.54074 4.546778 1.325153       6.488142 
1 1 1 14  5  21 o 212.7023 4.425157 2220.469       92.13130 2234.845       131.2167 2206.492       129.3892 212.9906 6.300867 211.6446 6.252604 1.345978       8.876710 
1 1 1 14  5  22 o 184.3630 4.659655 1670.203       84.02055 1688.988       104.0501 1635.000       142.4400 185.2046 5.746590 181.6915 8.029066 3.513153       9.873662 
1 1 1 14  5  23 o 30.85048 6.247955 48.55259       18.21948 63.56484       22.55180 20.34000       30.91575 35.32524 6.768447 24.34835 9.307269 10.97689       11.50813 
1 1 1 14  5  24 o 150.5768 3.544908 1112.240       52.24795 1112.121       73.94107 1112.360       73.83855 150.3092 5.032769 150.3266 5.025183 -0.1745605E-01 7.112048 
1 1 1 14  5  25 o 53.42205 3.509926 140.6234       18.25208 156.9409       25.12428 122.3875       26.56019 56.32215 4.597264 49.54465 5.573378 6.777500       7.224775 
1 1 1 14  5  26 o 133.1761 3.296834 870.1746       42.97636 935.9000       84.66249 847.3597       49.88080 137.5215 6.306261 131.2986 3.885484 6.222839       7.407152 
1 1 1 14  5  27 o 73.07288 3.372698 262.6630       24.05841 233.7000       36.53446 284.8387       31.96836 68.61791 5.485137 75.98257 4.316084 -7.364655      6.979635 
1 1 1 14  5  28 o 50.75347 4.409511 127.7397       21.68878 140.6000       29.49549 112.6000       32.00282 53.03105 5.775437 47.09530 7.168146 5.935753       9.205324 
1 1 1 14  5  29 o 74.00214 3.381511 269.6386       24.42935 242.5000       37.96383 288.8179       31.91484 69.79375 5.604153 76.45905 4.281498 -6.665298      7.052500 
1 1 1 14  5  30 o 112.8605 3.192011 626.4429       35.22703 622.1000       64.84019 628.2617       41.95967 111.7988 5.946563 112.9094 3.802031 -1.110619      7.058120 
1 1 1 14  5  31 o 62.65500 3.938241 194.2410       24.03044 218.2000       34.82816 172.4715       33.19872 66.11160 5.429847 58.62424 5.864079 7.487350       7.991912 
1 1 1 14  5  32 o 65.05832 3.875403 209.4774       24.56707 206.1000       45.15369 210.8976       29.28013 63.61263 7.389097 65.12722 4.623137 -1.514595      8.716200 
1 1 1 14  5  33 o 152.7696 4.212702 1155.045       62.93454 1005.000       102.9769 1244.500       79.51168 140.7995 7.498971 158.1518 5.143142 -17.35234      9.093209 
1 1 1 14  5  34 o 74.23253 3.718480 272.8321       26.93276 289.0000       48.96233 265.8177       32.25026 75.45636 6.698724 73.06560 4.531655 2.390762       8.087570 
1 1 1 14  5  35 o 63.62814 3.297157 200.2220       20.46497 189.3980       28.01525 212.6066       29.96691 61.55194 4.685129 65.22208 4.726037 -3.670139      6.654762 
1 1 1 14  5  36 f 64.91243 3.260718 208.4656       20.65163 211.7316       28.72279 204.9703       29.71407 65.09595 4.536200 63.97090 4.779963 1.125057       6.589777 
1 1 1 14  5  37 o 34.38971 4.768986 60.04844       15.62169 54.58195       21.63127 66.00725       22.58434 32.14131 7.068310 35.51608 6.742996 -3.374763      9.768777 
1 1 1 14  5  38 o 63.32125 3.714375 199.3632       22.92081 210.1306       29.20694 182.1000       36.98198 64.73473 4.640156 59.57130 6.444805 5.163437       7.941446 
1 1 1 14  5  39 f 107.9669 3.637177 578.6035       38.38316 616.0308       48.83265 518.1000       62.08773 110.9969 4.503977 100.7351 6.328765 10.26177       7.767824 
1 1 1 14  5  40 o 40.43570 4.521810 82.78105       17.59106 73.93883       24.22051 92.65229       25.59106 37.39308 6.870481 42.14904 6.404126 -4.755955      9.392355 
1 1 1 14  5  41 o 69.37748 4.172496 241.5158       28.20389 251.5702       32.86216 213.4000       54.95316 70.54016 4.787786 62.28436 9.298107 8.255802       10.45838 
1 1 1 14  5  42 o 20.33878 6.802619 20.81293       15.91965 27.23473       22.04612 13.81576       23.01255 23.19116 8.001821 19.92644 7.910038 3.264721       11.25157 
1 1 1 14  5  43 o 50.74936 3.927109 129.7200       19.35619 120.0799       26.83033 140.1827       27.95165 48.01134 5.828445 52.04764 5.573228 -4.036304      8.064220 
1 1 1 14  5  44 o 57.05813 3.677632 163.5017       20.43021 152.4352       27.82989 176.4364       30.08734 54.34789 5.298665 58.49373 5.312844 -4.145836      7.503477 
1 1 1 14  5  45 o 20.45326 6.807869 21.54455       15.94756 30.13193       22.41757 12.74606       22.69144 23.83241 8.072902 19.41033 7.804217 4.422085       11.22843 
1 1 1 14  5  46 o 65.70876 3.461853 216.4282       22.18724 244.8888       31.44081 188.1957       31.31456 69.25368 4.665371 60.26743 5.364322 8.986248       7.109264 
1 1 1 14  5  47 o 13.01828 5.772854 -3.273098      14.62965 3.498272       20.29185 -10.60246      21.11138 16.63604 7.088663 14.48915 6.629904 2.146887       9.705914 
1 1 1 14  5  48 o 42.16166 4.418042 91.24901       17.96237 79.32998       24.54932 104.9823       26.35159 38.08912 6.835826 44.28624 6.252769 -6.197121      9.264213 
1 1 1 14  5  49 o 21.19985 7.144425 23.86313       17.55707 20.88000       26.65755 26.14845       23.33228 21.75442 8.551461 22.51031 8.185797 -0.7558956     11.83785 
1 1 1 14  5  50 o 61.74936 4.181392 194.8243       25.12411 241.9000       40.73854 165.9299       31.91636 67.14271 6.271241 55.79068 5.935478 11.35202       8.634719 
1 1 1 14  5  51 o 42.03042 6.030020 95.02612       24.09826 94.76000       49.48775 95.10883       27.59044 37.26812 11.96769 41.38826 7.063754 -4.120144      13.89684 
1 1 1 14  5  52 o 12.61059 6.068637 -27.82220      22.06663 -25.57000      43.97871 -28.58000      25.51031 19.23162 9.055915 13.80186 6.611207 5.429766       11.21239 
1 1 1 14  5  53 o 79.51936 3.617516 319.8460       28.08346 323.4568       39.48259 316.1486       39.95362 78.67274 5.155546 77.64827 5.288321 1.024475       7.385526 
1 1 1 14  5  54 o 47.64333 5.912939 121.9019       26.98324 113.7775       30.54163 150.8000       57.60128 45.12538 7.152855 46.46819 12.42414 -1.342812      14.33606 
1 1 1 14  5  55 o 21.37221 7.392576 24.66960       18.82136 24.14645       27.30505 25.14318       25.97927 22.26361 8.683145 22.30982 8.530945 -0.4620552E-01 12.17268 
1 1 1 14  5  56 o 25.54770 7.201825 37.57364       18.78028 35.28551       27.46337 39.58346       25.73906 24.75396 8.897273 25.83319 8.649945 -1.079229      12.40899 
1 1 1 14  5  57 o 62.04383 4.103437 198.1365       24.78033 206.2375       35.96731 190.8165       34.18959 61.59278 6.043568 59.29962 5.971509 2.293159       8.496095 
1 1 1 14  5  58 o 48.46509 6.302548 129.8746       29.19113 153.6886       34.05167 63.86000       56.69457 52.27873 6.816562 29.91182 12.22213 22.36691       13.99450 
1 1 1 14  6  0  o 281.2350 5.497903 3878.482       151.3466 4050.430       221.1677 3727.052       207.5533 287.0001 7.880334 275.3245 7.709146 11.67554       11.02409 
1 1 1 14  6  1  o 331.2033 6.366961 5382.819       206.4111 5535.625       298.7851 5243.311       285.4876 335.2878 9.112505 326.3448 8.945699 8.942993       12.76962 
1 1 1 14  6  2  o 178.1552 5.369032 1557.724       93.52009 0.000000       0.000000 1557.724       93.52009 ?        ?        178.1552 5.369032 ?              ?        
1 1 1 14  6  3  o 284.3126 6.405928 3967.064       178.2725 3664.000       294.2286 4142.859       224.0893 272.2739 11.06313 290.2300 7.895438 -17.95615      13.59157 
1 1 1 14  6  4  o 51.02143 3.269291 128.0199       16.24131 119.4832       25.45991 133.8775       21.08974 49.06755 5.389599 52.10435 4.169926 -3.036797      6.814401 
1 1 1 14  6  5  o 124.7282 3.113416 761.9147       38.01089 731.2765       54.26682 791.4249       53.25839 122.0623 4.549959 127.0090 4.290135 -4.946754      6.253590 
1 1 1 14  6  6  o 86.39358 2.845063 365.9059       24.02629 344.6586       35.44827 383.9613       32.67726 83.74796 4.339085 88.44632 3.783241 -4.698364      5.756785 
1 1 1 14  6  7  o 225.3962 4.563152 2490.393       100.6741 2416.505       140.6335 2568.056       144.1821 221.7518 6.486082 228.6105 6.449757 -6.858704      9.147055 
1 1 1 14  6  8  o 268.6601 5.282609 3540.455       138.9178 3518.948       196.5131 3561.939       196.4057 267.4316 7.514557 269.0709 7.464506 -1.639313      10.59186 
1 1 1 14  6  9  o 107.9961 2.972558 571.6660       31.39289 516.3210       44.68631 625.5970       44.11177 102.5298 4.463339 112.9139 3.997483 -10.38408      5.991766 
1 1 1 14  6  10 f 124.7215 3.116027 761.9479       38.04074 728.3179       54.30760 794.3441       53.30196 121.7944 4.563478 127.2257 4.286300 -5.431374      6.260806 
1 1 1 14  6  11 o 95.57115 2.887437 447.7673       26.98032 411.2595       39.34592 480.1699       37.06779 91.48260 4.406910 98.91125 3.835914 -7.428642      5.842525 
1 1 1 14  6  12 o 166.0652 3.655343 1351.394       59.41733 1327.754       84.38530 1374.639       83.67677 164.4130 5.250269 167.3087 5.115531 -2.895676      7.330347 
1 1 1 14  6  13 o 38.27932 3.751344 72.50156       13.87558 45.97425       22.36798 89.09489       17.69078 29.98807 7.609179 42.40851 4.322093 -12.42044      8.751004 
1 1 1 14  6  14 o 60.54644 3.053486 180.0446       18.03793 187.3716       28.23528 174.9924       23.44608 61.62352 4.716859 59.60832 4.042349 2.015194       6.212032 
1 1 1 14  6  15 o 236.1384 4.767289 2735.901       110.1905 2704.240       155.3837 2767.931       156.2861 234.3711 6.780347 237.1255 6.740263 -2.754364      9.560557 
1 1 1 14  6  16 o 75.79769 3.927021 282.4344       29.03635 241.0000       39.18339 332.9000       43.24335 69.80164 5.786921 82.15987 5.407223 -12.35823      7.920007 
1 1 1 14  6  17 f 93.12553 4.167637 426.1698       37.89336 0.000000       0.000000 426.1698       37.89336 ?        ?        93.12553 4.167637 ?              ?        
1 1 1 14  6  18 o 35.41010 4.592745 62.55166       15.54398 41.10378       22.67544 81.56447       21.34945 28.44600 7.875342 40.37246 5.549156 -11.92646      9.634010 
1 1 1 14  6  19 o 91.05542 3.070477 406.7374       27.32727 370.3579       38.44670 443.8833       38.84963 86.75584 4.543290 95.03461 4.186644 -8.278778      6.178144 
1 1 1 14  6  20 f 159.5003 3.658514 1247.399       57.11792 1232.954       80.65766 1261.930       80.89674 158.3383 5.211292 160.1967 5.165821 -1.858414      7.337797 
1 1 1 14  6  21 o 108.7317 3.630537 580.3920       38.58546 563.2960       47.51449 613.5000       66.12202 107.0225 4.546060 111.4917 6.081985 -4.469170      7.593234 
1 1 1 14  6  22 o 74.24755 3.635528 271.0131       26.34107 263.2988       32.76923 285.1000       44.28173 73.08040 4.604392 75.87122 6.011786 -2.790817      7.572449 
1 1 1 14  6  23 o 49.96664 3.666722 123.1277       17.80859 152.7210       25.73357 95.92920       24.67036 55.54931 4.779183 43.75264 5.911680 11.79667       7.601878 
1 1 1 14  6  24 o 96.28596 3.082062 455.0215       29.01020 450.3936       40.56195 459.8677       41.50763 95.66102 4.343222 96.65701 4.398739 -0.9959869     6.181624 
1 1 1 14  6  25 o 287.9129 6.559716 4093.940       184.8640 4375.000       331.9824 3967.619       222.5631 294.6548 11.53280 282.6803 8.051823 11.97458       14.06547 
1 1 1 14  6  26 o 241.4434 4.894357 2869.371       115.6691 3082.000       238.2511 2803.798       132.3080 247.9117 9.837729 238.4369 5.668999 9.474854       11.35423 
1 1 1 14  6  27 o 99.22525 2.968489 483.4598       28.79886 485.3000       53.51152 482.7095       34.16925 99.00887 5.543766 99.08047 3.528867 -0.7160187E-01 6.571624 
1 1 1 14  6  28 o 63.59087 3.042932 198.9343       18.88562 219.4000       33.32412 189.2511       22.92203 66.48224 5.161309 61.92932 3.799674 4.552921       6.409105 
1 1 1 14  6  29 o 76.55689 3.328220 288.5382       24.88076 317.5000       40.48568 270.9615       31.53965 79.98725 5.199172 74.02355 4.372396 5.963699       6.793323 
1 1 1 14  6  30 o 162.5910 4.261614 1304.560       67.76451 1366.000       116.9161 1273.479       83.15668 165.1010 7.252359 160.2773 5.307849 4.823776       8.987211 
1 1 1 14  6  31 o 46.69758 3.689823 108.0767       16.72880 97.58000       26.75187 114.8170       21.43732 43.78297 6.434040 47.97543 4.622197 -4.192459      7.922220 
1 1 1 14  6  32 o 61.29954 3.804107 186.0263       22.71281 196.9767       26.39654 154.8000       44.57507 62.98542 4.307475 54.57564 8.630936 8.409775       9.646108 
1 1 1 14  6  33 o 74.27003 3.173092 272.1217       23.01445 261.0599       31.74498 284.3772       33.41380 72.45076 4.498561 75.61894 4.535124 -3.168182      6.387833 
1 1 1 14  6  34 o 83.32305 3.689487 343.5812       30.01644 351.2000       54.06604 340.1866       36.08918 83.20904 6.694619 82.69508 4.475199 0.5139542      8.052660 
1 1 1 14  6  35 o 63.89367 3.951504 202.8468       24.59213 197.1000       44.88226 205.3123       29.39789 61.76039 7.583334 64.07877 4.720137 -2.318378      8.932338 
1 1 1 14  6  36 o 88.55231 3.093726 387.1963       26.77444 377.9678       36.87827 397.4829       38.93492 87.11809 4.338349 89.29744 4.468650 -2.179352      6.228170 
1 1 1 14  6  37 o 93.29149 3.486453 430.9965       31.78098 431.2672       39.50597 430.5000       53.50273 93.01872 4.351021 92.21188 5.959571 0.8068466      7.378880 
1 1 1 14  6  38 f 62.07439 3.689809 191.6382       22.31817 198.4937       28.22478 180.2000       36.45775 62.89950 4.616500 59.25272 6.386779 3.646774       7.880548 
1 1 1 14  6  39 o 39.26268 4.503850 77.92699       16.99593 83.49211       23.32485 71.62751       24.81614 40.14450 6.129945 36.77029 7.152504 3.374214       9.419902 
1 1 1 14  6  40 o 93.22236 3.806938 433.0739       34.66471 432.6283       40.47674 434.3000       67.14123 92.86302 4.466132 90.97268 7.609666 1.890343       8.823455 
1 1 1 14  6  41 o 17.18777 6.568502 11.31187       15.39567 19.31153       21.46919 2.843181       22.08961 20.99101 7.814332 17.39273 7.403043 3.598284       10.76424 
1 1 1 14  6  42 o 40.30841 4.537710 82.84028       17.59284 98.09531       25.00475 67.88583       24.75718 43.26838 6.070767 35.30412 7.401202 7.964256       9.572461 
1 1 1 14  6  43 o 36.31399 4.950240 68.07633       17.13805 86.21288       23.92632 48.96668       24.55981 40.36957 6.257395 29.60263 8.196224 10.76694       10.31179 
1 1 1 14  6  44 o 74.98988 3.358757 280.9225       24.59144 306.9680       34.57197 254.2481       34.98684 77.73917 4.563439 70.39777 5.112214 7.341408       6.852715 
1 1 1 14  6  45 o 17.40699 6.679947 12.03976       15.96670 24.89200       22.57591 -0.8225421     22.58474 22.38740 8.064271 16.67444 7.290994 5.712954       10.87157 
1 1 1 14  6  46 o 39.16370 4.709126 79.07656       17.69046 85.12019       25.01676 73.03166       25.01943 39.70500 6.673426 36.40434 7.275902 3.300667       9.872861 
1 1 1 14  6  47 o 18.08018 6.722798 14.62007       15.88137 7.894472       22.21295 21.65296       22.71474 18.11969 7.550424 21.41838 8.024876 -3.298689      11.01851 
1 1 1 14  6  48 o 59.37477 3.714174 178.0013       21.47779 182.3299       30.13725 173.5338       30.61679 59.20438 5.255015 57.59026 5.497959 1.614120       7.605442 
1 1 1 14  6  49 o 63.95586 3.639279 206.6665       22.68850 208.9294       31.87418 204.3424       32.30288 63.30008 5.189856 62.49252 5.331765 0.8075562      7.440586 
1 1 1 14  6  50 o 31.48203 6.785815 55.23568       20.29406 55.16000       32.39705 55.28455       26.03512 30.04018 9.686491 30.62323 8.423306 -0.5830498     12.83667 
1 1 1 14  6  51 o 31.04141 7.327258 54.70687       21.90318 60.82000       32.46581 49.60000       29.67371 31.46385 9.636213 28.76096 9.270107 2.702894       13.37129 
1 1 1 14  6  52 o 27.25470 7.896539 43.09975       22.27847 58.95000       44.79514 37.89079       25.67961 30.43497 11.29564 25.63205 8.640438 4.802916       14.22142 
1 1 1 14  6  53 o 15.02749 7.270881 -40.85163      32.72989 -27.64000      44.62687 -56.23000      48.14747 19.16380 9.053903 17.88610 8.692446 1.277697       12.55117 
1 1 1 14  6  54 f 12.74432 5.887635 -10.56989      17.21166 -0.4201061     25.41037 -19.17433      23.39613 17.27249 7.636257 14.02887 6.605742 3.243620       10.09694 
1 1 1 14  6  55 o 24.40346 7.343496 34.02782       18.96853 23.44597       27.90725 43.11450       25.86061 22.19891 8.742474 26.91033 8.652223 -4.711420      12.30007 
1 1 1 14  6  56 o 30.05647 6.873841 51.36688       19.78224 15.70591       28.64339 83.88899       27.35377 20.67979 8.592010 38.10900 7.599716 -17.42921      11.47076 
1 1 1 14  6  57 o 48.72942 4.765614 124.7394       22.44063 129.5670       32.88095 120.5303       30.70261 47.64269 7.281675 46.15801 7.016107 1.484676       10.11180 
1 1 1 14  6  58 o 18.49125 7.305618 14.98660       19.54369 6.952318       29.21391 21.49511       26.29402 19.03691 8.308778 21.13735 8.434041 -2.100443      11.83929 
1 1 1 14  7  0  o 107.0513 2.973579 561.6448       31.12840 557.8892       45.06775 565.0712       43.04622 106.6098 4.327792 107.3106 4.105709 -0.7007904     5.965453 
1 1 1 14  7  1  o 187.2981 3.956601 1718.776       72.53735 1716.873       103.3867 1720.620       101.7984 187.0027 5.654704 187.2164 5.561249 -0.2137451     7.931151 
1 1 1 14  7  2  o 97.26096 2.911853 463.6638       27.69012 453.7318       40.44278 472.4284       37.99155 96.12607 4.309225 98.11485 3.964068 -1.988777      5.855191 
1 1 1 14  7  3  o 101.1289 4.215645 502.0377       41.63821 561.6000       64.68703 459.9000       54.40850 106.7927 6.215133 96.64979 5.777587 10.14287       8.485776 
1 1 1 14  7  4  o 218.9107 4.449759 2348.812       95.34760 2382.699       136.9813 2316.962       132.7996 220.2246 6.361282 217.1769 6.253590 3.047729       8.920386 
1 1 1 14  7  5  o 223.2094 4.522561 2442.201       98.81052 2397.328       139.0761 2487.939       140.4118 220.8789 6.439556 225.0260 6.381216 -4.147064      9.065748 
1 1 1 14  7  6  o 186.1858 3.940716 1698.644       71.81710 1689.496       102.4188 1707.493       100.7317 185.4786 5.647883 186.4786 5.524718 -0.9999542     7.900702 
1 1 1 14  7  7  o 92.33435 2.859067 417.9351       25.80894 388.6773       37.90652 443.2187       35.23810 88.94002 4.367578 95.03203 3.795867 -6.092010      5.786565 
1 1 1 14  7  8  o 278.4268 5.451765 3803.568       148.5780 3793.777       210.8853 3813.218       209.3650 277.6022 7.768629 278.3290 7.692296 -0.7267761     10.93266 
1 1 1 14  7  9  o 132.6844 3.205685 862.3947       41.63389 838.7202       59.71729 884.7853       58.07546 130.7014 4.675346 134.2688 4.424913 -3.567459      6.437292 
1 1 1 14  7  10 f 241.0645 4.825371 2850.093       113.8597 2815.149       160.7189 2885.302       161.3268 239.2261 6.870724 242.2013 6.811697 -2.975235      9.675023 
1 1 1 14  7  11 o 178.0190 3.831412 1553.139       66.76234 1500.014       93.86092 1607.539       94.98147 174.7348 5.494641 180.9103 5.369703 -6.175507      7.682759 
1 1 1 14  7  12 o 272.2365 5.357040 3637.553       142.7504 3587.628       200.8415 3688.523       202.9339 269.8648 7.610880 273.6424 7.583748 -3.777618      10.74424 
1 1 1 14  7  13 o 99.36829 2.954308 484.1187       28.70300 474.3670       42.61902 492.2133       38.82946 98.24931 4.443172 100.1246 3.969869 -1.875282      5.958325 
1 1 1 14  7  14 o 171.9392 4.381668 1450.827       73.68288 1399.518       89.20544 1561.000       130.7168 168.7479 5.407642 177.8873 7.524229 -9.139450      9.265884 
1 1 1 14  7  15 o 175.3987 5.370912 1512.031       92.10188 0.000000       0.000000 1512.031       92.10188 ?        ?        175.3987 5.370912 ?              ?        
1 1 1 14  7  16 o 119.7928 3.554528 703.9971       41.63304 667.2000       70.56135 723.6487       51.56535 116.3274 6.219571 121.3840 4.347024 -5.056641      7.588128 
1 1 1 14  7  17 o 105.1680 3.082674 542.4086       31.69920 574.2003       47.18198 516.2515       42.79699 108.0907 4.469095 102.5005 4.274992 5.590141       6.184526 
1 1 1 14  7  18 f 150.6094 3.525344 1111.927       51.97084 1120.943       74.66096 1103.452       72.38750 151.0070 5.058288 149.8379 4.942314 1.169098       7.071969 
1 1 1 14  7  19 o 45.02148 4.649815 100.5416       20.19644 101.6531       24.87183 98.39000       34.60495 45.11217 5.764083 43.91953 8.354800 1.192642       10.15024 
1 1 1 14  7  20 o 106.0995 3.582854 552.5850       37.15566 527.2847       45.71927 601.8000       63.76528 103.5463 4.521754 110.4535 5.919537 -6.907265      7.448971 
1 1 1 14  7  21 o 51.43573 4.212874 130.7030       21.02475 126.2319       27.23288 137.3000       33.07967 50.35417 5.621005 52.38369 6.597490 -2.029514      8.667328 
1 1 1 14  7  22 o 31.10580 5.108522 48.78918       15.01455 64.09358       21.35213 33.81945       21.11738 35.54155 6.371665 25.99331 7.731115 9.548237       10.01840 
1 1 1 14  7  23 o 126.7946 3.261429 788.8699       40.44400 785.8265       57.09964 791.9340       57.29375 126.3843 4.623455 126.8754 4.621145 -0.4911652     6.536919 
1 1 1 14  7  24 o 131.2937 3.349209 846.0943       43.00685 842.4528       61.34056 849.6149       60.31417 130.8122 4.798770 131.3840 4.697538 -0.5717621     6.715286 
1 1 1 14  7  25 o 78.10635 2.964236 299.5861       22.62124 339.9000       41.49361 282.5370       26.98393 82.93671 5.136470 75.78042 3.648547 7.156288       6.300414 
1 1 1 14  7  26 o 56.86139 3.119608 159.1033       17.29643 188.6000       30.60940 145.2668       20.96427 61.66457 5.117270 54.22812 3.977227 7.436455       6.481110 
1 1 1 14  7  27 o 121.1266 3.169921 720.6408       37.55093 824.1000       75.50982 686.6481       43.28241 128.9541 5.998650 118.1483 3.747378 10.80589       7.072952 
1 1 1 14  7  28 o 76.76775 2.943421 289.6815       22.07660 336.9000       41.16586 270.6190       26.15594 82.45222 5.126039 74.11150 3.616528 8.340729       6.273400 
1 1 1 14  7  29 o 106.7865 3.066116 560.5764       32.01558 573.4000       59.56395 555.3663       37.96625 107.4284 5.684688 106.1892 3.658138 1.239212       6.760004 
1 1 1 14  7  30 o 151.3498 4.076576 1130.108       60.33760 1256.000       106.6815 1070.896       73.16406 158.4033 6.897007 146.9990 5.092530 11.40430       8.573364 
1 1 1 14  7  31 o 37.51693 4.337949 70.43320       15.63696 76.54000       22.75735 64.97126       21.52229 38.71632 6.215390 35.55611 6.420184 3.160213       8.935873 
1 1 1 14  7  32 o 25.71012 5.986459 34.28936       14.78304 46.07000       21.23046 23.20156       20.59670 29.66086 7.350207 22.36286 7.733466 7.298000       10.66921 
1 1 1 14  7  33 o 116.4704 4.482472 673.4699       51.00677 673.4699       51.00677 0.000000       0.000000 116.4704 4.482472 ?        ?        ?              ?        
1 1 1 14  7  34 o 17.13574 6.192509 12.47716       13.32523 0.8777089      17.75656 27.43080       20.16107 15.60573 6.639717 23.49023 7.646711 -7.884498      10.12709 
1 1 1 14  7  35 o 51.89531 4.351211 134.6138       21.89933 139.5000       40.74218 132.6285       25.96993 51.46571 8.375328 51.26708 5.249218 0.1986275      9.884352 
1 1 1 14  7  36 o 74.99044 4.526973 280.8695       33.07446 278.3000       50.49650 282.8000       43.77002 73.58628 7.098656 74.67107 6.040013 -1.084793      9.320551 
1 1 1 14  7  37 o 70.53586 3.537759 246.7766       24.34758 256.2497       30.58944 230.4000       40.21962 71.62861 4.383934 67.23727 6.180215 4.391335       7.577198 
1 1 1 14  7  38 o 49.24913 3.784578 121.0207       18.10428 119.2068       24.21532 123.3195       27.26109 48.47530 5.183824 49.10773 5.782049 -0.6324272     7.765573 
1 1 1 14  7  39 o 61.01676 4.130816 186.2509       24.52582 194.4409       28.21075 160.9000       49.63268 62.16498 4.670352 54.12634 9.725589 8.038639       10.78885 
1 1 1 14  7  40 o 111.1471 3.279560 612.8135       35.64057 637.8170       50.23386 587.4698       50.57462 112.6927 4.563456 108.0023 4.795986 4.690384       6.620167 
1 1 1 14  7  41 o 38.80966 4.575538 76.71864       17.04784 65.85119       23.72571 88.31841       24.51208 34.95827 7.174318 41.00862 6.308445 -6.050346      9.553393 
1 1 1 14  7  42 o 37.79174 4.751404 73.26453       17.18864 93.19683       23.99721 52.26369       24.63203 42.17347 5.980751 30.64812 8.092712 11.52536       10.06287 
1 1 1 14  7  43 o 14.37850 6.120473 1.578921       15.10038 -13.36711      20.86969 18.00131       21.87617 14.09833 6.502457 20.55823 7.836334 -6.459894      10.18283 
1 1 1 14  7  44 o 58.61149 3.661690 172.5415       20.90237 169.9380       28.81060 175.4348       30.37199 57.44234 5.179641 58.25379 5.387531 -0.8114548     7.473565 
1 1 1 14  7  45 o 33.68416 5.350876 59.52244       17.05305 69.04942       24.26129 50.21930       23.97458 35.44761 7.237386 29.83945 8.031929 5.608152       10.81164 
1 1 1 14  7  46 o 84.97544 3.272498 361.0031       27.16855 373.4265       38.10192 348.1531       38.75057 85.58412 4.564795 82.43810 4.823311 3.146019       6.640910 
1 1 1 14  7  47 o 47.16959 4.242052 113.5764       19.37694 104.1972       26.76048 123.9140       28.09443 44.04844 6.393243 48.28718 6.078428 -4.238743      8.821612 
1 1 1 14  7  48 o 27.77159 6.427154 42.39980       17.12510 37.89405       23.76914 47.26318       24.69445 25.86493 8.292921 28.59594 8.322048 -2.731012      11.74858 
1 1 1 14  7  49 o 41.22756 5.929615 91.09176       23.24133 83.85000       45.08358 93.71289       27.12322 35.64174 11.42050 41.17323 6.979085 -5.531487      13.38415 
1 1 1 14  7  50 o 12.46779 5.822514 -13.62901      17.54914 -44.25823      23.25705 26.87000       26.74293 11.62725 5.730611 22.98212 8.686497 -11.35487      10.40649 
1 1 1 14  7  51 o 60.39464 4.311816 187.0641       25.32202 204.2000       41.79163 177.1236       31.83030 60.79385 7.160177 57.79218 5.701019 3.001667       9.152582 
1 1 1 14  7  52 o 48.46674 6.841038 129.4597       31.55281 169.1000       39.52779 59.84000       52.38418 54.83041 7.566531 30.59264 11.99899 24.23777       14.18549 
1 1 1 14  7  53 o 43.64140 4.989884 99.89703       20.93278 100.3331       30.24146 99.49590       29.00412 41.97404 7.642099 42.03765 7.314297 -0.6361389E-01 10.57831 
1 1 1 14  7  54 o 29.36662 7.859537 50.49014       23.03702 62.56000       46.71941 46.61270       26.48005 30.79844 11.51510 27.87936 8.730506 2.919081       14.45058 
1 1 1 14  7  55 o 22.56742 7.423276 28.45221       18.97763 17.38548       27.56137 38.42945       26.16955 20.90161 8.528839 25.62354 8.721818 -4.721935      12.19882 
1 1 1 14  7  56 o 46.60471 4.847035 114.0556       21.78855 118.3268       31.75698 110.2568       29.94971 45.58401 7.368661 44.13008 7.180093 1.453922       10.28839 
1 1 1 14  7  57 o 42.49539 5.292783 96.71211       21.53983 80.49762       31.60683 110.7730       29.43305 35.88826 9.011522 44.14847 7.047892 -8.260212      11.44029 
1 1 1 14  8  0  o 209.7920 4.316090 2157.068       88.63098 2170.157       127.0584 2144.663       123.6955 210.1824 6.182631 208.9592 6.054026 1.223175       8.653101 
1 1 1 14  8  1  o 192.8264 4.667984 1822.752       88.10529 2125.000       169.4763 1710.813       103.1380 207.6577 8.354919 186.6549 5.651628 21.00275       10.08690 
1 1 1 14  8  2  f 63.96254 3.022257 200.8164       18.86832 170.9671       28.74408 223.4165       25.01131 58.83250 5.039936 67.42012 3.805462 -8.587624      6.315259 
1 1 1 14  8  3  o 294.6213 5.727069 4259.099       165.1592 4376.855       238.6660 4150.888       228.7879 298.1583 8.185560 290.3810 8.057098 7.777374       11.48565 
1 1 1 14  8  4  o 67.16373 2.982912 221.3647       19.56125 187.8678       30.33669 245.2032       25.59211 61.68675 5.068915 70.64617 3.713978 -8.959423      6.283911 
1 1 1 14  8  5  o 109.7715 3.006341 590.6110       32.27192 545.3892       46.73383 631.8315       44.61839 105.3774 4.541489 113.4757 4.023394 -8.098274      6.067357 
1 1 1 14  8  6  o 38.07441 3.862644 71.76532       14.19642 35.27823       24.40039 90.43669       17.45481 26.87481 8.375359 42.74707 4.226872 -15.87226      9.381529 
1 1 1 14  8  7  o 237.1676 4.757555 2758.257       110.4448 2799.050       158.7809 2720.019       153.7269 238.5759 6.806277 235.2010 6.684135 3.374878       9.539553 
1 1 1 14  8  8  o 94.02330 2.896524 433.3928       26.62567 394.9655       39.20219 466.2985       36.27652 89.64281 4.481965 97.47295 3.809538 -7.830139      5.882226 
1 1 1 14  8  9  o 148.5305 3.420253 1080.871       49.72562 1030.779       70.32155 1130.965       70.32375 144.8775 4.966197 151.7852 4.739133 -6.907715      6.864583 
1 1 1 14  8  10 o 164.9967 3.653267 1334.071       59.00146 1264.387       82.61128 1406.625       84.29555 160.4340 5.267761 169.2464 5.094172 -8.812424      7.328022 
1 1 1 14  8  11 o 74.08481 2.913293 269.2608       21.08493 237.2218       32.45786 292.6518       27.73354 69.37508 4.809580 77.18832 3.681298 -7.813240      6.056734 
1 1 1 14  8  12 o 94.57809 2.922342 438.5913       27.02131 422.9366       40.55868 451.0855       36.23381 92.75546 4.480479 95.85131 3.869934 -3.095848      5.920395 
1 1 1 14  8  13 o 247.2570 5.742897 3002.839       138.9907 2869.487       165.8871 3317.000       254.6178 241.3888 7.028325 258.7195 10.07359 -17.33066      12.28310 
1 1 1 14  8  14 o 188.3990 5.631809 1744.968       103.7397 0.000000       0.000000 1744.968       103.7397 ?        ?        188.3990 5.631809 ?              ?        
1 1 1 14  8  15 o 46.41634 4.002170 106.4234       18.00589 65.94000       33.47488 122.9050       21.35896 35.86993 9.416416 49.86045 4.422222 -13.99053      10.40312 
1 1 1 14  8  16 o 170.4115 3.781170 1423.765       63.07124 1327.568       87.10510 1529.789       91.44553 164.3128 5.423272 176.4141 5.301710 -12.10133      7.584195 
1 1 1 14  8  17 o 139.9244 3.392421 959.6269       46.46322 909.9983       65.44541 1010.063       65.97563 136.0594 4.922216 143.3802 4.707358 -7.320786      6.810832 
1 1 1 14  8  18 o 60.46421 3.960210 180.0628       23.30912 180.8688       29.83387 178.8000       37.34482 60.47625 5.086972 59.93447 6.468035 0.5417786      8.228777 
1 1 1 14  8  19 o 112.5306 3.696451 621.6125       40.66044 607.5499       50.79366 646.7000       67.84318 111.1482 4.679222 114.4947 6.075361 -3.346512      7.668450 
1 1 1 14  8  20 o 98.15281 3.078835 472.6393       29.54323 497.5306       42.93257 450.2516       40.71634 100.5863 4.370992 95.67967 4.358982 4.906593       6.173029 
1 1 1 14  8  21 o 202.0521 4.260150 2003.895       84.25478 1956.678       117.8025 2053.344       120.5536 199.2721 6.046505 204.1410 6.039789 -4.868851      8.546302 
1 1 1 14  8  22 o 36.00798 4.439559 64.62852       15.31653 69.96297       21.94892 59.56524       21.38382 37.18702 6.251550 34.18501 6.629928 3.002007       9.112509 
1 1 1 14  8  23 o 153.8223 3.573543 1160.857       53.80523 1194.474       77.35404 1129.348       74.88994 155.7576 5.080529 151.4512 5.058881 4.306427       7.169662 
1 1 1 14  8  24 o 140.9848 3.879589 976.6285       53.48736 1079.000       94.18594 927.8981       64.98253 147.6747 6.532054 137.2679 4.843985 10.40680       8.132154 
1 1 1 14  8  25 o 144.3515 3.407966 1022.627       48.15293 1087.000       95.57573 1000.728       55.74489 148.1205 6.608777 142.6686 3.995749 5.451904       7.722820 
1 1 1 14  8  26 o 153.9498 3.535698 1163.896       53.27955 1257.000       107.1610 1133.324       61.40739 159.0880 6.898051 151.7636 4.137635 7.324402       8.043826 
1 1 1 14  8  27 o 76.31858 2.933297 286.2352       21.87174 319.3000       40.07983 272.2130       26.10062 80.28778 5.126786 74.34479 3.597368 5.942993       6.262986 
1 1 1 14  8  28 o 64.84856 3.007062 206.9209       19.03553 238.5000       33.94965 192.4407       22.98922 69.31578 5.038160 62.43404 3.779509 6.881741       6.298234 
1 1 1 14  8  29 o 131.6845 3.301960 853.0209       42.52752 901.5000       82.31994 835.3721       49.66896 134.4971 6.270222 130.1829 3.902253 4.314194       7.385341 
1 1 1 14  8  30 o 140.1690 3.409294 966.7931       46.77594 1077.000       93.72122 930.2341       53.97974 146.7465 6.541193 137.2908 4.021161 9.455688       7.678342 
1 1 1 14  8  31 o 86.48539 3.390188 368.8233       28.64380 428.8000       48.04871 335.7575       35.67633 92.77496 5.313304 82.28687 4.445896 10.48810       6.928000 
1 1 1 14  8  32 o 110.3939 3.559004 601.5499       38.40712 635.3000       64.06680 582.6162       47.98577 112.6567 5.829747 108.3539 4.534430 4.302757       7.385594 
1 1 1 14  8  33 o 84.17394 3.444120 350.0862       28.31679 356.1000       44.75544 346.0718       36.56625 84.29871 5.453248 83.41140 4.495275 0.8873138      7.067207 
1 1 1 14  8  34 o 51.99992 4.812547 135.6501       24.21750 135.6501       24.21750 0.000000       0.000000 51.99992 4.812547 ?        ?        ?              ?        
1 1 1 14  8  35 o 27.96978 6.013202 40.80152       15.97283 22.48526       19.12092 83.10000       29.05713 21.73201 7.453828 39.66529 7.762086 -17.93329      10.76148 
1 1 1 14  8  36 o 91.45736 4.489540 417.3611       40.06799 421.5000       59.85329 414.0000       53.93679 90.81229 6.782430 90.34389 6.135708 0.4683914      9.145943 
1 1 1 14  8  37 o 135.6148 4.089168 914.5869       54.21903 1037.000       98.68196 861.6543       64.89112 142.1716 7.113784 131.0728 5.067402 11.09879       8.734099 
1 1 1 14  8  38 o 69.80982 3.947593 242.9214       26.86469 245.0769       30.76483 236.0000       55.12815 69.92429 4.519104 66.58356 8.663905 3.340729       9.771670 
1 1 1 14  8  39 o 38.28255 4.657785 74.42232       17.09488 76.05740       23.30149 72.51653       25.15657 38.09701 6.480491 36.90498 7.222727 1.192028       9.703842 
1 1 1 14  8  40 o 54.31235 3.704185 147.4572       19.57448 139.4075       26.70561 156.8027       28.77509 52.23497 5.296305 55.39212 5.374635 -3.157146      7.545697 
1 1 1 14  8  41 o 34.03699 5.228812 60.03992       16.86417 47.17183       22.92502 75.21554       24.89577 29.29239 7.840736 37.42552 7.054649 -8.133123      10.54729 
1 1 1 14  8  42 o 38.08557 4.821815 74.54406       17.57310 88.40595       24.60712 60.11604       25.10457 40.86175 6.359104 32.92020 7.893137 7.941547       10.13606 
1 1 1 14  8  43 o 106.0751 3.339325 561.2034       34.62878 601.0195       48.95087 521.3168       48.99415 108.8671 4.604042 101.0906 4.966594 7.776443       6.772316 
1 1 1 14  8  44 o 17.39283 6.754371 11.46143       16.46603 11.30570       23.32135 11.61623       23.25178 19.27199 7.852371 19.32031 7.852337 -0.4831314E-01 11.10491 
1 1 1 14  8  45 o 62.84719 3.631217 198.4709       22.24288 196.9899       31.20555 200.0004       31.71296 61.77512 5.209239 62.21919 5.256349 -0.4440689     7.400363 
1 1 1 14  8  46 o 35.62770 5.373249 66.73833       18.15613 44.31530       25.08841 91.39499       26.30831 27.87583 8.457787 41.04317 6.785460 -13.16734      10.84328 
1 1 1 14  8  47 o 83.20564 3.403466 347.2451       27.66067 335.3591       38.14420 360.4275       40.17062 80.77014 4.847013 83.67790 4.926259 -2.907761      6.910973 
1 1 1 14  8  48 o 39.79498 6.272799 85.47942       23.62585 27.49000       43.12099 110.3546       28.24215 25.45648 10.55635 45.10178 6.592014 -19.64530      12.44553 
1 1 1 14  8  49 f 38.32655 5.542746 78.08430       20.19053 71.80375       26.37181 86.98000       31.38566 35.40891 7.818179 38.55308 8.541928 -3.144173      11.57966 
1 1 1 14  8  50 o 24.51991 7.072266 33.85253       17.90743 31.81826       25.33164 35.88465       25.31824 24.05455 8.556455 25.12694 8.578259 -1.072392      12.11608 
1 1 1 14  8  51 o 34.11072 7.541901 66.51606       24.51151 81.96278       28.27271 19.77000       49.18378 37.70901 7.912546 24.83945 10.81201 12.86955       13.39806 
1 1 1 14  8  52 o 59.93896 4.047103 183.5604       23.60511 176.3867       33.62720 190.5292       33.14340 57.26818 6.092288 59.84249 5.728074 -2.574310      8.362224 
1 1 1 14  8  53 o 48.29940 5.190987 122.8121       24.15659 162.8000       42.15816 103.2651       29.47521 52.92683 8.419383 42.84746 7.288649 10.07937       11.13600 
1 1 1 14  8  54 o 34.22447 7.009344 66.14143       22.69053 41.76000       39.26108 78.36951       27.80431 26.86026 10.43005 36.64825 7.977792 -9.787987      13.13130 
1 1 1 14  8  55 o 33.82737 7.357750 65.59827       23.66732 25.30000       46.42261 79.75122       27.51121 24.89439 10.66755 37.05039 7.831373 -12.15599      13.23355 
1 1 1 14  8  56 o 31.02196 6.910635 54.90556       20.44644 32.88701       30.65949 72.54147       27.43906 24.28298 9.271966 34.85165 8.183981 -10.56868      12.36717 
1 1 1 14  8  57 o 32.08958 6.919068 59.17860       21.09266 58.83815       32.68805 59.42149       27.60986 29.99045 9.734815 30.84412 8.745050 -0.8536682     13.08597 
1 1 1 14  9  0  o 324.3912 7.215738 5172.034       229.1163 4946.000       385.9221 5295.067       284.7237 315.6430 12.51581 327.7506 8.883303 -12.10760      15.34792 
1 1 1 14  9  1  o 208.8238 4.958782 2138.523       101.3588 1900.000       165.1209 2282.743       128.3955 196.2489 8.616854 215.5545 6.091472 -19.30563      10.55254 
1 1 1 14  9  2  o 137.1781 4.634544 923.6599       62.14038 857.9000       87.23515 991.4000       88.53889 131.9744 6.775661 141.9440 6.388888 -9.969604      9.312758 
1 1 1 14  9  3  o 111.7239 3.455608 612.0948       37.74455 703.7000       74.36579 580.3077       43.80646 119.5372 6.378807 108.7351 4.123344 10.80201       7.595469 
1 1 1 14  9  4  o 159.2773 3.564818 1242.956       55.57729 1218.996       79.41460 1265.956       77.80638 157.5575 5.156328 160.5869 4.955858 -3.029480      7.151800 
1 1 1 14  9  5  o 199.8816 4.161095 1958.283       81.41167 1976.470       117.1752 1941.312       113.1949 200.5594 5.975457 198.7858 5.823763 1.773544       8.343999 
1 1 1 14  9  6  o 274.9618 5.397579 3709.747       145.2705 3697.235       206.0548 3722.113       204.8378 274.0274 7.689748 274.9638 7.618106 -0.9363403     10.82441 
1 1 1 14  9  7  o 26.76256 5.287844 36.37148       13.36058 -9.169818      24.54560 55.54532       15.92669 16.79007 7.459701 33.27675 5.047887 -16.48669      9.007125 
1 1 1 14  9  8  o 148.0366 3.411170 1073.713       49.42865 1073.691       71.82536 1073.733       68.12656 147.8618 4.969734 147.8903 4.712216 -0.2847290E-01 6.848594 
1 1 1 14  9  9  o 181.9194 3.895708 1622.098       69.36997 1648.571       100.6371 1598.133       95.75299 183.1661 5.619797 180.3638 5.429896 2.802292       7.814467 
1 1 1 14  9  10 o 182.4294 3.912772 1631.343       69.86919 1536.585       97.00557 1733.494       100.7189 176.8178 5.611962 187.8337 5.483990 -11.01585      7.846544 
1 1 1 14  9  11 o 99.29907 2.998549 483.4772       29.11151 449.1341       43.14631 512.1770       39.44235 95.57680 4.625690 102.1383 3.952653 -6.561462      6.084445 
1 1 1 14  9  12 o 211.5204 6.179414 2200.724       127.8027 2090.000       175.7436 2325.000       186.1889 205.6041 8.752584 216.8656 8.789369 -11.26146      12.40406 
1 1 1 14  9  13 o 174.0708 5.306613 1489.115       90.31129 0.000000       0.000000 1489.115       90.31129 ?        ?        174.0708 5.306613 ?              ?        
1 1 1 14  9  14 o 202.7568 4.852161 2017.626       96.29790 2043.000       168.6167 2005.344       117.3110 203.2706 8.493323 201.9118 5.942153 1.358887       10.36560 
1 1 1 14  9  15 o 10.26875 4.821223 -13.04716      12.30498 -59.64555      23.83883 3.877698       14.36686 11.20048 5.569554 15.04946 6.151326 -3.848977      8.298117 
1 1 1 14  9  16 o 94.13860 3.036064 434.6828       27.93936 429.8329       41.95611 438.5471       37.45101 93.47714 4.599591 94.47476 4.059345 -0.9976196     6.134698 
1 1 1 14  9  17 o 168.4057 4.367604 1392.433       71.93491 1356.129       88.10985 1465.000       124.5725 166.0499 5.428297 172.2342 7.406495 -6.184250      9.182733 
1 1 1 14  9  18 o 195.9424 4.833410 1885.167       92.70181 1831.743       112.5281 1998.000       163.5341 192.8906 5.967140 200.9090 8.333867 -8.018387      10.24988 
1 1 1 14  9  19 f 151.3514 3.532962 1123.200       52.33976 1126.057       74.61778 1120.432       73.43555 151.3148 5.045013 150.9458 4.977064 0.3689728      7.086842 
1 1 1 14  9  20 o 127.6871 3.261769 799.8157       40.73340 769.4681       57.51476 830.3561       57.69713 125.0795 4.706110 129.9621 4.542547 -4.882576      6.540811 
1 1 1 14  9  21 o 124.3589 3.243309 758.7407       39.44577 722.8505       55.51574 795.3350       56.05771 121.2167 4.687778 127.1813 4.510179 -5.964676      6.505149 
1 1 1 14  9  22 o 51.63085 3.509144 131.3650       17.62902 164.5700       26.13374 103.6385       23.88072 57.68414 4.668340 45.57021 5.462502 12.11393       7.185564 
1 1 1 14  9  23 o 146.1039 3.434734 1047.238       49.12030 1092.000       96.50413 1031.586       57.06565 148.5581 6.653449 144.8872 4.027726 3.670837       7.777594 
1 1 1 14  9  24 o 188.3154 4.026547 1741.988       74.22068 1962.000       155.7180 1677.312       84.42791 198.6184 8.026175 184.6102 4.675992 14.00816       9.288939 
1 1 1 14  9  25 o 135.0634 3.288153 895.2820       43.47064 941.5000       85.16703 878.9990       50.55152 137.8484 6.328836 133.7033 3.866717 4.145111       7.416581 
1 1 1 14  9  26 o 199.5935 4.207510 1959.832       82.20113 2136.000       169.5046 1905.663       93.99332 206.6245 8.398455 196.6396 4.883373 9.984955       9.715008 
1 1 1 14  9  27 o 145.9073 3.443558 1046.046       49.18024 1165.000       100.0056 1008.101       56.48211 153.0025 6.693789 143.0747 4.037163 9.927780       7.817000 
1 1 1 14  9  28 o 105.3010 3.045177 545.0609       31.35413 570.7000       58.71796 534.8344       37.08363 107.1961 5.615688 104.2095 3.641132 2.986610       6.692817 
1 1 1 14  9  29 o 113.8848 3.106842 637.9129       34.60072 600.1000       62.67220 654.4916       41.49840 109.7608 5.854578 115.2411 3.683628 -5.480377      6.917022 
1 1 1 14  9  30 o 38.22253 3.957045 72.80956       14.59073 68.82000       22.91508 75.52994       18.92230 36.56687 6.646944 38.71066 5.119231 -2.143787      8.389778 
1 1 1 14  9  31 o 88.11194 3.018646 382.3349       25.99629 404.2000       47.19248 372.8098       31.14821 90.00265 5.381448 86.87702 3.671148 3.125626       6.514392 
1 1 1 14  9  32 o 50.54385 3.828008 126.8955       18.79777 132.4000       28.12151 122.4494       25.27401 51.18739 5.709779 49.30739 5.320836 1.879997       7.804670 
1 1 1 14  9  33 o 103.8826 3.555599 533.3837       36.10115 600.1000       60.46710 496.4302       45.00196 109.3858 5.666763 99.87843 4.615612 9.507401       7.308630 
1 1 1 14  9  34 o 27.85439 6.395113 40.62418       17.06711 42.93000       22.62567 37.58000       25.99707 28.49984 7.857605 27.08415 8.671762 1.415691       11.70220 
1 1 1 14  9  35 o 10.85912 5.189621 -20.47233      15.52392 -20.23000      20.22297 -20.82000      24.22270 13.12089 6.166737 14.72146 6.863582 -1.600565      9.226993 
1 1 1 14  9  36 o 15.59437 6.133148 7.488966       13.71829 -3.756824      17.96009 23.23883       21.25455 14.68625 6.459274 22.29889 7.846434 -7.612637      10.16311 
1 1 1 14  9  37 o 27.91349 9.110590 40.56440       28.60960 64.82000       37.01292 4.562000       45.09342 34.30695 10.24289 24.24725 10.45352 10.05970       14.63533 
1 1 1 14  9  38 o 28.27577 7.218319 42.71942       20.04392 60.01000       39.22725 36.60990       23.31775 33.09874 10.65753 26.36670 8.182738 6.732038       13.43652 
1 1 1 14  9  39 o 80.87810 3.930389 326.5695       31.02205 357.4000       56.84843 313.4953       37.01993 82.84405 7.078279 78.84907 4.819617 3.994980       8.563336 
1 1 1 14  9  40 o 67.33438 3.352340 225.6599       22.02538 223.9007       30.14926 227.6734       32.25435 66.55939 4.657042 66.98206 4.954605 -0.4226761     6.799716 
1 1 1 14  9  41 o 24.96758 6.441041 33.53215       15.84502 34.40558       21.67435 32.52951       23.22213 25.26566 7.896678 24.80208 8.213870 0.4635868      11.39408 
1 1 1 14  9  42 o 40.83797 4.572679 85.21521       17.96504 72.15784       24.11963 101.4853       26.92388 36.53239 6.999795 43.74932 6.483147 -7.216934      9.540876 
1 1 1 14  9  43 o 17.00188 6.608795 10.76121       15.77545 11.49238       21.79185 9.956142       22.86664 18.92263 7.633931 18.88157 7.743966 0.4106903E-01  10.87409 
1 1 1 14  9  44 o 15.94104 6.455562 7.172744       15.64998 35.59590       22.66374 -18.73289      21.63678 25.43643 8.091597 13.63858 6.400121 11.79784       10.31676 
1 1 1 14  9  45 o 24.37327 6.744893 32.51995       16.63683 21.14346       23.60814 43.74331       23.44873 21.52717 8.155865 27.83851 8.111670 -6.311342      11.50293 
1 1 1 14  9  46 o 82.81148 3.401667 343.6744       27.51459 334.1382       38.14201 354.0209       39.72952 80.68483 4.851954 83.01057 4.911556 -2.325745      6.903973 
1 1 1 14  9  47 f 63.62637 4.507881 207.1660       27.89296 221.7000       51.94071 201.2760       33.06529 62.32096 8.755807 62.06007 5.500087 0.2608986      10.33998 
1 1 1 14  9  48 f 31.73143 6.435895 55.24527       19.30507 45.72451       25.31778 68.47000       29.83895 28.01088 8.495863 33.95536 8.878959 -5.944489      12.28884 
1 1 1 14  9  49 o 37.72091 5.431183 75.53375       19.47596 83.45026       27.62342 67.70857       27.46362 38.33281 7.630454 33.99740 8.321389 4.335411       11.29023 
1 1 1 14  9  50 o 59.67880 4.848142 184.8094       28.07684 190.7978       32.36596 166.6000       56.43913 60.11348 5.563721 50.29710 11.68722 9.816376       12.94396 
1 1 1 14  9  51 o 24.55124 7.270504 34.19559       18.70859 37.42975       27.82610 31.52756       25.27359 25.53864 8.978554 23.90461 8.541916 1.634029       12.39269 
1 1 1 14  9  52 o 14.86817 6.543402 -1.186121      18.45778 14.66589       27.54620 -14.10307      24.86563 20.45225 8.455142 15.17053 7.032326 5.281722       10.99741 
1 1 1 14  9  53 o 36.59668 5.826326 72.31444       20.17192 61.67845       29.62927 81.50332       27.53997 31.78428 9.075034 37.64780 7.732368 -5.863516      11.92249 
1 1 1 14  9  54 o 29.59369 7.568979 50.86309       22.00994 69.76000       39.01500 42.04157       26.65678 32.56777 10.63975 26.56960 8.800406 5.998177       13.80766 
1 1 1 14  9  55 o 25.05646 7.915747 36.63533       21.72208 17.17000       37.41055 46.53582       26.68036 22.44597 9.596340 27.69581 8.775705 -5.249842      13.00395 
1 1 1 14  9  56 o 65.20531 5.557752 227.4955       35.13443 0.000000       0.000000 227.4955       35.13443 ?        ?        65.20531 5.557752 ?              ?        
1 1 1 14  9  57 o 37.03521 7.061426 78.77623       24.66439 83.62000       50.50391 77.25916       28.26414 33.24242 12.04980 35.70776 8.252152 -2.465340      14.60464 
1 1 1 14  10 0  o 34.57976 4.450436 59.58660       14.71478 22.61976       24.37804 80.77507       18.45620 23.35671 8.384145 40.30618 4.770408 -16.94947      9.646277 
1 1 1 14  10 1  o 157.9972 3.555404 1223.086       54.98504 1224.874       79.57174 1221.452       76.06775 157.9327 5.154215 157.7341 4.932906 0.1985931      7.134388 
1 1 1 14  10 2  f 129.9644 3.218799 827.4152       40.94724 771.7604       58.32089 881.5218       57.50402 125.3594 4.761582 134.0223 4.389360 -8.662872      6.476044 
1 1 1 14  10 3  f 121.5384 3.141963 724.0632       37.34708 666.5967       53.45888 778.8492       52.19721 116.4969 4.697760 125.9781 4.239015 -9.481216      6.327574 
1 1 1 14  10 4  o 120.6790 4.461033 715.0135       52.60480 698.7000       77.72877 728.8000       71.45537 119.0549 6.697035 121.6824 6.017973 -2.627495      9.003682 
1 1 1 14  10 5  o 135.7164 3.274038 902.3422       43.49328 874.6013       62.68617 928.0927       60.39535 133.4516 4.806752 137.5061 4.493232 -4.054535      6.579817 
1 1 1 14  10 6  o 63.97849 3.082464 200.9729       19.24680 149.5155       30.83449 233.8196       24.63538 54.87843 5.829296 68.97937 3.661783 -14.10094      6.883992 
1 1 1 14  10 7  o 295.2838 5.750661 4281.087       166.2125 4242.121       234.6832 4320.306       235.4385 293.3428 8.181348 296.0485 8.132426 -2.705688      11.53563 
1 1 1 14  10 8  o 29.47585 5.020234 43.81417       13.96563 1.668607       26.50744 60.00788       16.43104 19.37058 8.171038 34.61954 4.992970 -15.24896      9.575783 
1 1 1 14  10 9  o 141.8077 3.366057 985.3535       46.72266 932.4265       66.68246 1036.397       65.48544 137.7630 4.953135 145.2861 4.610676 -7.523087      6.766970 
1 1 1 14  10 10 o 29.40294 6.345492 44.12674       17.72626 22.12672       26.28062 62.49000       24.01037 23.66777 8.674990 34.99525 7.248104 -11.32748      11.30444 
1 1 1 14  10 11 o 234.2177 6.662805 2700.334       152.5954 0.000000       0.000000 2700.334       152.5954 ?        ?        234.2177 6.662805 ?              ?        
1 1 1 14  10 12 o 95.21020 3.936225 445.2041       36.60429 0.000000       0.000000 445.2041       36.60429 ?        ?        95.21020 3.936225 ?              ?        
1 1 1 14  10 13 o 178.6165 4.424809 1565.086       77.36106 1566.000       135.5237 1564.645       94.22004 178.0638 7.794476 178.4081 5.401608 -0.3442383     9.483208 
1 1 1 14  10 14 o 111.5551 3.109610 610.2547       33.92170 611.9167       51.21620 608.9559       45.27615 111.5662 4.700484 111.3495 4.161403 0.2166901      6.277884 
1 1 1 14  10 15 o 173.7960 3.839792 1481.073       65.32112 1429.638       92.68966 1531.822       92.06948 170.4853 5.561856 176.5138 5.334939 -6.028534      7.706868 
1 1 1 14  10 16 o 44.28761 7.205061 99.09173       30.16125 99.09173       30.16125 0.000000       0.000000 44.28761 7.205061 ?        ?        ?              ?        
1 1 1 14  10 17 o 222.9171 5.305601 2441.555       115.7668 2324.889       138.4271 2713.000       211.1496 217.2137 6.518072 233.8771 9.241708 -16.66339      11.30904 
1 1 1 14  10 18 o 77.33015 3.057422 293.5287       23.09690 276.7504       34.28529 307.4702       31.25282 74.92975 4.698278 79.06254 4.051941 -4.132790      6.204196 
1 1 1 14  10 19 o 99.63320 3.057140 487.0082       29.77910 479.6746       43.36827 493.5509       40.96262 98.73969 4.499008 100.1955 4.185919 -1.455849      6.145160 
1 1 1 14  10 20 o 173.1753 3.831624 1471.323       64.94938 1415.636       90.80791 1529.649       92.93356 169.5637 5.478417 176.2826 5.392221 -6.718979      7.686944 
1 1 1 14  10 21 o 44.42159 3.783146 97.52348       16.29316 94.45822       23.92438 100.1748       22.25058 43.42674 5.771023 44.84111 5.163589 -1.414368      7.743860 
1 1 1 14  10 22 o 105.5614 2.997408 546.7783       30.93979 682.8000       64.82033 506.6447       35.20959 117.6099 5.647183 101.5564 3.547439 16.05353       6.668958 
1 1 1 14  10 23 o 261.7258 6.019905 3379.208       154.2206 3525.000       272.4816 3310.492       187.0667 264.9733 10.52674 258.4268 7.402877 6.546570       12.86914 
1 1 1 14  10 24 o 117.9836 3.111542 683.3665       35.90248 808.2000       74.00528 644.9432       41.05769 127.8188 5.931266 114.5473 3.666597 13.27149       6.973081 
1 1 1 14  10 25 o 27.78195 4.956097 39.16104       12.98306 36.25000       22.27833 40.65811       15.97640 26.77715 7.934940 28.15902 5.981207 -1.381876      9.936706 
1 1 1 14  10 26 o 53.86003 3.125930 142.8880       16.40899 117.1000       27.64450 156.9164       20.38939 48.28787 5.976202 56.37967 3.715376 -8.091797      7.036975 
1 1 1 14  10 27 o 130.9729 3.253541 842.7809       41.71037 869.5000       80.55267 832.9926       48.75553 132.2116 6.242122 130.0574 3.834044 2.154221       7.325570 
1 1 1 14  10 28 o 62.51450 3.448099 192.7906       21.01751 265.1000       34.65583 150.7229       26.43343 73.07919 4.872642 54.99593 4.963774 18.08326       6.955694 
1 1 1 14  10 29 o 117.0700 3.580690 675.4392       40.98339 612.9000       64.71877 717.3077       52.95392 110.8192 5.988604 120.4078 4.500932 -9.588608      7.491446 
1 1 1 14  10 30 o 58.74359 3.207159 170.2983       18.37116 165.1000       31.20014 173.0571       22.72908 57.34309 5.631197 59.09317 3.952231 -1.750080      6.879717 
1 1 1 14  10 31 o 73.71314 3.064991 267.8733       22.06641 280.6000       38.81992 261.7981       26.82092 74.90746 5.329284 72.73323 3.780312 2.174232       6.533914 
1 1 1 14  10 32 o 63.04354 3.160765 196.3019       19.44247 164.5000       31.66752 215.5416       24.63131 57.07795 5.746245 65.93089 3.833269 -8.852940      6.907481 
1 1 1 14  10 33 o 129.0211 3.749780 823.6942       47.30553 817.9705       57.64318 835.5000       82.78670 128.2191 4.600378 128.4838 6.604897 -0.2646942     8.049109 
1 1 1 14  10 34 o 50.81406 4.362913 129.1686       21.49050 128.5000       28.86662 130.0000       32.18829 50.20835 5.991850 50.25683 6.710871 -0.4848480E-01 8.996558 
1 1 1 14  10 35 o 14.23166 5.985347 1.874158       14.15529 -11.77000      20.03230 15.48106       20.00494 14.21570 6.487066 19.87766 7.512963 -5.661954      9.926059 
1 1 1 14  10 36 o 16.09095 6.997424 -1.946000      20.56031 -1.946000      20.56031 0.000000       0.000000 16.09095 6.997424 ?        ?        ?              ?        
1 1 1 14  10 37 o 68.80401 3.266451 234.6250       21.93584 221.2154       29.05174 252.4092       33.45641 66.43242 4.494172 70.84520 4.853942 -4.412781      6.615008 
1 1 1 14  10 38 o 26.98542 6.106288 38.42332       15.75132 39.03646       21.68810 37.73893       22.91386 27.01168 7.780694 26.64227 8.082820 0.3694077      11.21923 
1 1 1 14  10 39 o 41.55717 5.481592 88.91215       21.75443 121.4000       41.38654 76.50882       25.57218 46.75385 9.370148 37.85753 7.163242 8.896313       11.79456 
1 1 1 14  10 40 o 59.03366 4.392120 175.9024       25.19748 157.9000       44.71592 184.2784       30.50117 53.54572 8.839807 60.05094 5.241562 -6.505222      10.27697 
1 1 1 14  10 41 o 18.00411 6.673879 14.03959       15.62865 20.78390       21.66407 6.720641       22.56813 21.27924 7.863087 18.20697 7.600489 3.072262       10.93598 
1 1 1 14  10 42 o 25.40620 6.517699 34.96836       16.28641 23.81635       22.48384 47.27938       23.62330 22.17639 8.039738 29.10416 8.030821 -6.927773      11.36360 
1 1 1 14  10 43 o 16.80770 6.611164 9.925523       15.94176 22.47575       22.10172 -3.684721      23.01618 21.68969 7.954543 16.35259 7.246695 5.337095       10.76055 
1 1 1 14  10 44 o 23.87533 6.644393 31.05282       16.09493 34.93924       23.12179 27.39943       22.41788 25.24079 8.186921 23.02488 8.061680 2.215912       11.48984 
1 1 1 14  10 45 f 41.15949 4.622244 87.18643       18.30068 95.70069       25.87814 78.66831       25.88401 42.21605 6.468303 37.77511 7.264114 4.440937       9.726577 
1 1 1 14  10 46 o 30.53629 8.224529 53.60562       25.12883 0.000000       0.000000 53.60562       25.12883 ?        ?        30.53629 8.224529 ?              ?        
1 1 1 14  10 47 o 26.60328 7.155708 39.68472       19.03732 43.58056       25.02197 34.33000       29.33519 27.49495 8.466877 25.20392 9.176630 2.291031       12.48593 
1 1 1 14  10 48 o 14.20316 6.226157 -1.123058      16.56214 2.770879       23.68681 -4.847849      23.16665 17.40642 7.540399 15.97216 7.161163 1.434266       10.39903 
1 1 1 14  10 49 o 42.70245 6.126874 98.49117       24.87673 82.00995       27.95068 161.3000       54.56422 37.82994 7.807322 49.66650 11.45714 -11.83656      13.86435 
1 1 1 14  10 50 o 24.01648 7.210902 32.45490       18.30479 76.38876       26.78771 -6.028988      25.07121 36.53500 7.732122 16.38251 7.388471 20.15249       10.69464 
1 1 1 14  10 51 o 18.98204 7.111153 16.91614       17.83540 19.27753       26.64722 14.99979       24.00528 21.22407 8.483185 19.79945 8.003465 1.424625       11.66276 
1 1 1 14  10 52 o 18.50829 7.133045 14.97598       18.26067 15.09319       27.48627 14.88338       24.43172 20.51386 8.459874 19.83797 8.054133 0.6758823      11.68069 
1 1 1 14  10 53 o 41.67750 5.160998 91.75679       20.60484 110.5870       30.31902 75.59585       28.08800 44.35905 7.231661 35.86487 8.182448 8.494179       10.92014 
1 1 1 14  10 54 o 66.56533 3.895258 226.0228       25.26903 235.0254       36.12339 217.3963       35.36043 66.47584 5.603737 63.81375 5.721716 2.662090       8.008739 
1 1 1 14  10 55 o 16.25413 7.071218 2.094275       21.01385 3.138000       36.30264 1.568324       25.77019 20.26185 9.032772 17.55713 7.729049 2.704721       11.88819 
1 1 1 14  10 56 o 33.14784 7.200619 63.53587       22.69328 43.97000       40.62875 72.40797       27.35880 26.78695 10.54879 34.68782 8.189852 -7.900875      13.35480 
1 1 1 14  10 57 o 21.77876 8.289995 25.38349       24.46088 14.73000       40.95781 31.29000       30.49695 22.19843 9.759111 23.63173 9.187996 -1.433302      13.40371 
1 1 1 14  11 0  o 205.2517 4.905409 2066.460       98.55262 1828.000       160.4315 2210.983       124.8965 192.4224 8.539072 212.1024 6.021962 -19.68002      10.44891 
1 1 1 14  11 1  o 265.0631 7.429602 3459.052       192.5717 3369.000       269.4987 3553.000       275.2680 260.7932 10.57929 267.8491 10.51974 -7.055847      14.91932 
1 1 1 14  11 2  o 84.62685 2.975708 351.2298       24.61094 308.4005       37.33348 384.1469       32.72946 79.14677 4.842198 88.45441 3.788963 -9.307648      6.148425 
1 1 1 14  11 3  o 159.8626 3.593949 1252.297       56.23737 1216.325       80.32708 1286.878       78.75939 157.3559 5.222457 161.8872 4.976222 -4.531296      7.213657 
1 1 1 14  11 4  o 61.86969 4.335024 188.6001       26.08668 145.0000       41.53617 217.0000       33.52288 53.65894 8.165368 66.29703 5.207615 -12.63809      9.684652 
1 1 1 14  11 5  o 56.22652 3.280788 155.4161       17.97772 93.40984       29.87213 190.6273       22.51071 42.97631 7.366124 62.25719 3.710809 -19.28087      8.248023 
1 1 1 14  11 6  o 77.13660 3.005090 291.9153       22.64606 247.3658       35.36990 322.8655       29.48109 70.81315 5.137806 81.07885 3.724702 -10.26570      6.345901 
1 1 1 14  11 7  o 117.3867 3.114025 675.5594       35.74898 626.3594       52.02782 719.5630       49.20369 112.8983 4.718461 121.0725 4.158061 -8.174187      6.289145 
1 1 1 14  11 8  o 81.87940 2.981561 328.8646       23.85607 277.1156       36.69398 366.7517       31.39707 74.97785 5.028916 86.42168 3.720306 -11.44382      6.255451 
1 1 1 14  11 9  f 44.33710 4.680197 97.50716       20.00516 66.34133       28.71504 126.9000       27.88630 35.96871 8.321404 50.50648 5.742609 -14.53777      10.11055 
1 1 1 14  11 10 o 189.5258 5.620663 1765.907       104.1555 0.000000       0.000000 1765.907       104.1555 ?        ?        189.5258 5.620663 ?              ?        
1 1 1 14  11 11 o 125.9861 3.627396 778.6722       44.68600 811.6000       82.89533 765.1841       53.05464 128.2747 6.624551 124.8241 4.348933 3.450645       7.924512 
1 1 1 14  11 12 o 219.8565 5.176179 2373.394       111.3922 2321.000       191.5950 2400.146       136.9091 216.5072 9.060801 220.8230 6.340619 -4.315765      11.05900 
1 1 1 14  11 13 o 11.20059 5.085423 -7.360917      12.11679 -62.77330      27.17222 6.392727       13.53725 12.29093 6.082817 15.40422 6.082013 -3.113287      8.601833 
1 1 1 14  11 14 o 129.3404 3.284051 820.4084       41.54309 820.4176       61.65872 820.4008       56.21896 129.1818 4.885064 129.2297 4.451056 -0.4795837E-01 6.608763 
1 1 1 14  11 15 o 211.1283 5.075737 2189.084       104.8943 2162.548       128.9444 2241.000       180.3588 209.5587 6.293365 212.7444 8.679321 -3.185669      10.72087 
1 1 1 14  11 16 o 132.9278 3.909347 867.3864       50.81058 848.1241       64.26719 899.5000       82.98125 131.3152 5.009162 135.0499 6.294715 -3.734634      8.044572 
1 1 1 14  11 17 o 106.1833 3.097814 553.0649       32.16275 554.2439       47.99116 552.1036       43.33448 106.1482 4.630078 105.9917 4.185142 0.1565170      6.241237 
1 1 1 14  11 18 o 124.3705 3.251508 758.8181       39.54903 738.7913       57.37441 776.9488       54.59090 122.5466 4.792352 125.7209 4.443138 -3.174278      6.535144 
1 1 1 14  11 19 o 76.21310 3.104605 285.1976       23.11172 273.9608       34.76679 294.0953       30.93717 74.52400 4.791479 77.30271 4.103346 -2.778709      6.308385 
1 1 1 14  11 20 o 151.2973 3.532396 1122.842       52.31265 1128.828       74.96423 1117.160       73.03597 151.4367 5.064403 150.6689 4.959058 0.7678070      7.088049 
1 1 1 14  11 21 o 180.0184 3.900601 1590.771       68.73130 1686.000       139.6181 1560.312       78.96188 184.3612 7.754196 178.1367 4.532218 6.224472       8.981567 
1 1 1 14  11 22 o 61.24999 3.609837 184.7559       21.54616 0.000000       0.000000 184.7559       21.54616 ?        ?        61.24999 3.609837 ?              ?        
1 1 1 14  11 23 o 119.9357 3.665246 706.9232       42.97817 0.000000       0.000000 706.9232       42.97817 ?        ?        119.9357 3.665246 ?              ?        
1 1 1 14  11 24 o 63.39333 3.609101 198.0117       22.30235 0.000000       0.000000 198.0117       22.30235 ?        ?        63.39333 3.609101 ?              ?        
1 1 1 14  11 25 o 43.78945 3.552329 94.81950       15.09547 135.6000       27.71457 77.61780       17.99980 52.11244 5.516942 39.40711 4.762971 12.70533       7.288521 
1 1 1 14  11 26 o 57.03581 3.159694 160.2510       17.57108 173.9000       31.54857 154.1132       21.15611 59.04549 5.522748 55.83376 3.895521 3.211735       6.758390 
1 1 1 14  11 27 o 126.8165 3.225607 790.8802       40.00744 838.8000       78.24340 773.9165       46.55329 129.7874 6.176708 125.3319 3.799130 4.455475       7.251559 
1 1 1 14  11 28 o 84.38447 2.970877 350.3159       24.50052 382.1000       45.65463 337.4599       29.03574 87.63802 5.347594 82.71947 3.594653 4.918549       6.443469 
1 1 1 14  11 29 o 30.87559 4.729806 48.23489       13.83974 67.23000       23.04058 37.51291       17.31052 36.09415 6.770177 26.86572 6.624999 9.228428       9.472376 
1 1 1 14  11 30 o 26.53496 5.451330 36.27689       13.68484 55.00000       22.17040 24.75234       17.39388 32.45028 7.171094 22.31534 7.087526 10.13494       10.08254 
1 1 1 14  11 31 o 45.34905 3.710582 102.2048       16.32698 67.43000       25.84945 125.2858       21.05947 35.82690 7.606548 50.11147 4.336048 -14.28457      8.755620 
1 1 1 14  11 32 o 48.64864 3.899462 117.7863       18.41333 107.1000       27.30895 126.6945       24.93361 45.76876 6.259634 50.16696 5.150708 -4.398201      8.106343 
1 1 1 14  11 33 o 51.32759 3.552749 130.7783       17.73918 134.9858       23.47101 125.1731       27.09046 51.88960 4.671044 49.67022 5.673690 2.219376       7.349110 
1 1 1 14  11 34 o 14.34316 5.911110 3.550336       13.40718 1.662379       17.83219 6.005333       20.33453 15.76515 6.678495 17.67044 7.280794 -1.905287      9.879891 
1 1 1 14  11 35 f 10.15306 4.930764 -25.84321      15.41893 -30.36633      16.68553 0.6016000      40.34512 10.30251 5.031271 22.66682 9.829973 -12.36431      11.04274 
1 1 1 14  11 36 f 13.28187 5.859611 -3.654254      14.88674 -3.831000      21.01699 -3.476290      21.08927 15.90573 6.991790 15.99742 7.018840 -0.9168625E-01 9.907030 
1 1 1 14  11 37 o 23.44308 6.962873 28.74535       17.13852 15.52000       22.26647 47.97000       26.84585 20.38467 7.871240 29.79121 8.679027 -9.406538      11.71674 
1 1 1 14  11 38 o 75.40942 3.643777 283.1662       26.81615 283.7000       40.75177 282.7586       35.61307 74.60964 5.621491 74.84641 4.887815 -0.2367706     7.449288 
1 1 1 14  11 39 o 58.49799 3.492220 170.6709       19.90524 159.7994       26.88001 183.8713       29.61948 56.07055 4.948387 60.11411 5.081334 -4.043552      7.092707 
1 1 1 14  11 40 o 57.87563 4.437133 169.4776       24.94478 205.7000       45.47512 153.8876       29.83375 61.91288 7.667630 54.57412 5.667317 7.338760       9.534727 
1 1 1 14  11 41 o 40.85368 5.550899 86.90155       21.62367 142.3000       41.05646 65.63528       25.43773 50.62152 8.592826 34.47752 7.729105 16.14399       11.55750 
1 1 1 14  11 42 o 27.96939 6.293202 42.21126       16.81118 63.82736       23.58066 19.86916       23.97339 34.10424 7.285182 21.40469 8.192469 12.69955       10.96314 
1 1 1 14  11 43 o 22.72962 6.757790 27.90260       16.13733 19.51914       22.71021 36.45261       22.93469 21.00830 7.989941 25.70666 8.135286 -4.698360      11.40272 
1 1 1 14  11 44 o 29.39206 6.083284 46.51804       16.92432 39.09228       23.97280 53.89666       23.89659 26.44487 8.310568 30.91805 7.875553 -4.473181      11.44945 
1 1 1 14  11 45 o 24.66428 8.342922 33.22138       23.94186 0.000000       0.000000 33.22138       23.94186 ?        ?        24.66428 8.342922 ?              ?        
1 1 1 14  11 46 o 21.03035 7.322604 22.77645       18.48106 11.68921       25.21322 35.65000       27.16851 19.63464 8.100427 25.42558 8.876765 -5.790941      12.01723 
1 1 1 14  11 47 o 37.09811 5.318622 72.61808       18.76161 96.74164       27.68247 52.12325       25.51563 41.90805 6.994786 29.89624 8.382797 12.01181       10.91780 
1 1 1 14  11 48 o 35.76521 7.229493 71.84643       24.43760 79.06739       27.74995 46.90000       51.57853 37.13661 7.878383 28.85789 11.70748 8.278717       14.11149 
1 1 1 14  11 49 f 14.34413 6.339412 -2.157297      17.49785 15.83601       25.80334 -17.47578      23.80829 20.38828 8.277286 14.41822 6.749147 5.970057       10.68010 
1 1 1 14  11 50 o 17.27251 6.906289 10.78039       17.66790 12.60877       26.50843 9.319005       23.69927 19.86656 8.260829 18.55809 7.770807 1.308472       11.34137 
1 1 1 14  11 51 o 20.74007 7.362266 22.46821       18.74543 -10.91963      28.04478 49.43146       25.20252 16.57990 7.607032 28.84702 8.410687 -12.26712      11.34048 
1 1 1 14  11 52 o 28.57719 7.035173 46.41671       19.54493 46.46384       29.67496 46.38060       25.97458 27.74395 9.287755 27.87772 8.633801 -0.1337719     12.68089 
1 1 1 14  11 53 o 21.20123 7.425908 24.11025       19.02251 9.818885       29.45160 34.33972       24.91716 19.89968 8.511317 24.48401 8.503929 -4.584337      12.03160 
1 1 1 14  11 54 o 38.94024 5.761013 81.85601       21.29678 52.17178       32.03234 105.3721       28.51072 28.93194 9.648928 43.41404 6.943048 -14.48210      11.88729 
1 1 1 14  11 55 o 22.11124 7.650711 27.24579       20.15941 21.76926       31.09615 31.21617       26.47707 22.12332 9.047112 23.59560 8.697401 -1.472284      12.54970 
1 1 1 14  11 56 o 60.22759 4.779423 190.6221       27.94498 186.1295       37.54863 196.2000       41.83890 57.57773 6.793060 58.34566 7.499182 -0.7679329     10.11847 
1 1 1 14  12 0  o 107.4315 4.211635 566.7469       44.20246 502.5000       63.19194 628.3000       61.85299 100.9130 6.430936 112.9846 5.610429 -12.07161      8.534275 
1 1 1 14  12 1  o 202.1066 4.857046 2003.959       96.08572 1820.000       159.2702 2109.223       120.4801 191.9453 8.498238 207.1372 5.948410 -15.19193      10.37322 
1 1 1 14  12 2  o 74.56762 2.995972 272.8221       21.82273 261.8836       34.52212 280.1021       28.16359 72.89977 4.865850 75.49837 3.823495 -2.598602      6.188344 
1 1 1 14  12 3  o 158.2314 3.580675 1227.008       55.45795 1202.466       79.75702 1249.980       77.16593 156.4367 5.215929 159.5321 4.947624 -3.095337      7.189221 
1 1 1 14  12 4  o 264.8532 5.239342 3443.150       135.8277 3426.833       192.8882 3459.200       191.3003 263.7217 7.479840 264.9882 7.382550 -1.266449      10.50952 
1 1 1 14  12 5  o 229.2463 4.656571 2578.104       104.4900 2475.015       145.6986 2687.274       149.9348 224.2470 6.645105 233.6893 6.561265 -9.442276      9.338502 
1 1 1 14  12 6  o 62.19744 3.212965 190.0498       19.49442 155.2363       33.01256 208.6893       24.15585 55.87209 6.137326 65.13738 3.805233 -9.265293      7.221258 
1 1 1 14  12 7  o 97.82091 3.597239 469.6305       34.38483 443.8154       44.00576 510.1000       55.09801 94.98940 4.747962 101.7651 5.552380 -6.775711      7.305619 
1 1 1 14  12 8  o 96.07296 3.368183 452.8769       31.62501 446.5000       62.46650 455.0747       36.67203 95.02770 6.759828 96.26466 3.899975 -1.236961      7.804171 
1 1 1 14  12 9  o 143.3564 3.891254 1008.334       54.55203 958.6000       97.17274 1031.222       65.91994 139.3526 7.147872 144.8975 4.653859 -5.544983      8.529388 
1 1 1 14  12 10 o 108.5868 3.481244 578.5129       36.95356 543.0000       69.06387 592.7584       43.74177 104.8268 6.767044 109.8669 4.074517 -5.040169      7.899024 
1 1 1 14  12 11 o 54.03636 3.467469 143.7055       18.24345 94.33774       32.65297 166.1093       21.99689 43.05055 8.044582 58.07415 3.892126 -15.02360      8.936664 
1 1 1 14  12 12 o 144.4306 3.458681 1022.490       48.89628 978.9431       71.04391 1061.684       67.39950 141.0970 5.152678 147.0043 4.690040 -5.907349      6.967536 
1 1 1 14  12 13 o 106.8226 3.127733 559.6708       32.66863 542.3903       49.99625 572.5461       43.15573 104.9964 4.878041 107.9640 4.091095 -2.967651      6.366501 
1 1 1 14  12 14 o 91.35658 3.571377 409.7969       31.87457 404.3667       43.02925 416.4000       47.44904 90.62142 4.868824 91.91345 5.296453 -1.292030      7.194294 
1 1 1 14  12 15 o 99.24648 3.640983 483.6235       35.31045 440.8941       46.27176 543.2000       54.63744 94.61284 5.014334 105.0052 5.333323 -10.39237      7.320374 
1 1 1 14  12 16 o 157.7324 3.618156 1220.040       55.86172 1147.563       78.42530 1294.682       79.58833 152.7198 5.254144 162.2619 5.017055 -9.542084      7.264769 
1 1 1 14  12 17 o 168.4633 3.765723 1392.116       62.09546 1295.763       86.17759 1496.164       89.55207 162.2396 5.434314 174.3800 5.252524 -12.14044      7.557829 
1 1 1 14  12 18 o 138.5622 3.385319 941.4479       45.91457 888.4343       64.85182 994.7278       65.01451 134.3700 4.939161 142.2298 4.676320 -7.859772      6.801712 
1 1 1 14  12 19 f 106.3929 3.111971 555.4342       32.37333 553.1259       47.77667 557.3937       44.01939 106.0061 4.615522 106.4632 4.232574 -0.4570923     6.262406 
1 1 1 14  12 20 o 198.9767 4.816979 1946.510       93.81736 2041.000       166.7245 1902.727       113.4903 202.6371 8.424078 196.4142 5.909817 6.222870       10.29034 
1 1 1 14  12 21 o 141.0742 3.374284 976.4060       46.59459 1106.000       97.41503 937.9623       53.05746 149.4709 6.675138 138.1542 3.927508 11.31664       7.744855 
1 1 1 14  12 22 o 123.8055 4.459719 754.6657       53.95648 0.000000       0.000000 754.6657       53.95648 ?        ?        123.8055 4.459719 ?              ?        
1 1 1 14  12 23 o 72.99858 3.416031 262.1784       24.34088 0.000000       0.000000 262.1784       24.34088 ?        ?        72.99858 3.416031 ?              ?        
1 1 1 14  12 24 o 31.39217 4.594856 49.54323       13.70083 99.77000       27.11072 32.31578       15.87757 44.43636 6.418787 25.06925 6.437522 19.36710       9.090793 
1 1 1 14  12 25 o 94.38529 2.982800 437.7484       27.52258 575.6000       57.18102 396.1823       31.39901 107.7752 5.437916 89.70639 3.583117 18.06879       6.512270 
1 1 1 14  12 26 o 110.3177 3.095711 598.2845       33.39508 742.4000       68.98592 554.1764       38.16490 122.2458 5.781663 106.0709 3.681463 16.17487       6.854254 
1 1 1 14  12 27 o 123.0757 3.199160 745.1660       38.50756 836.9000       77.34592 714.9350       44.40158 129.5723 6.115702 120.4308 3.771293 9.141518       7.185016 
1 1 1 14  12 28 o 53.77315 3.278281 142.7866       17.17312 187.4000       31.63791 124.1514       20.44759 61.22939 5.332001 49.97377 4.219560 11.25563       6.799627 
1 1 1 14  12 29 o 74.63220 3.013160 274.3930       21.96650 247.0000       38.67774 287.4355       26.68843 70.20910 5.676459 76.28624 3.584152 -6.077141      6.713295 
1 1 1 14  12 30 o 68.66396 3.126626 232.6118       20.95897 256.0000       37.95805 222.3536       25.13858 71.46933 5.467486 66.98997 3.849973 4.479355       6.686980 
1 1 1 14  12 31 o 32.11855 5.432295 52.83657       16.47004 44.76000       25.19733 58.86134       21.76263 29.16552 8.382085 33.57745 6.853710 -4.411932      10.82740 
1 1 1 14  12 32 o 53.11463 3.533915 139.9473       18.26835 148.6000       31.17509 135.4222       22.54469 54.08498 5.989011 52.03561 4.469523 2.049370       7.472944 
1 1 1 14  12 33 o 32.39622 5.676759 54.11280       17.34540 40.60000       25.75050 65.33649       23.46824 27.86799 8.590584 35.27440 7.043719 -7.406408      11.10910 
1 1 1 14  12 34 o 92.26778 3.593701 421.9261       32.39417 449.6255       38.55273 355.4000       59.74697 95.05529 4.153577 82.96991 7.435554 12.08538       8.517022 
1 1 1 14  12 35 o 15.02479 6.075869 5.411408       13.84088 -7.808895      17.84648 25.36476       21.92501 13.88128 6.249397 22.99540 7.977562 -9.114120      10.13393 
1 1 1 14  12 36 o 59.88074 3.381444 178.0245       19.73910 170.5575       26.00154 188.1812       30.32518 58.25597 4.597102 61.02047 5.124466 -2.764500      6.884294 
1 1 1 14  12 37 o 55.46064 3.977444 153.8453       21.44875 141.9000       31.69715 163.9349       29.13125 52.40819 6.305471 56.79826 5.301061 -4.390076      8.237731 
1 1 1 14  12 38 o 24.32640 7.224647 31.41966       18.45201 36.18000       25.70625 26.36000       26.50211 26.23793 8.640044 23.78559 8.712558 2.452347       12.27025 
1 1 1 14  12 39 o 56.66036 5.422056 164.6895       29.70470 181.6000       36.38633 130.9000       51.43407 59.00554 6.402472 47.01033 11.31485 11.99521       13.00067 
1 1 1 14  12 40 o 59.10970 3.677464 175.1551       21.17175 182.9880       29.24832 166.5331       30.68617 59.80999 5.042921 56.75744 5.596220 3.052555       7.533175 
1 1 1 14  12 41 o 14.92663 6.321176 2.427269       15.96622 27.17663       23.45638 -18.93913      21.79439 23.21622 8.236143 13.72003 6.433577 9.496194       10.45107 
1 1 1 14  12 42 o 19.30635 7.254685 16.29878       18.59260 22.15000       36.01660 14.17303       21.70881 24.07408 9.777131 19.50593 7.701797 4.568150       12.44628 
1 1 1 14  12 43 o 61.43430 4.236810 191.4324       25.32143 165.8000       44.49277 203.7116       30.79495 54.27357 8.666534 62.93198 5.041348 -8.658409      10.02617 
1 1 1 14  12 44 o 38.42608 7.138756 81.01017       25.86248 0.000000       0.000000 81.01017       25.86248 ?        ?        38.42608 7.138756 ?              ?        
1 1 1 14  12 45 o 44.32233 4.901218 101.7506       20.90860 83.72081       26.67085 130.5000       33.67875 38.91036 7.269953 48.77631 7.276329 -9.865952      10.28578 
1 1 1 14  12 46 o 30.29824 6.320949 50.09367       18.13858 46.74140       26.14508 53.20438       25.18549 28.38177 8.638723 30.33870 8.260445 -1.956928      11.95251 
1 1 1 14  12 47 o 16.73356 7.238323 2.288547       21.76295 2.718095       24.45872 0.6558000      47.68563 17.63311 7.650328 22.62508 10.19804 -4.991964      12.74863 
1 1 1 14  12 48 o 18.52291 7.022929 15.44009       17.51268 2.680347       25.29336 27.18972       24.27156 17.81271 7.753478 22.75593 8.337457 -4.943224      11.38550 
1 1 1 14  12 49 o 31.80821 6.345448 55.65546       19.06342 35.12020       26.94602 76.23260       26.97349 24.97493 8.830655 36.43661 7.798467 -11.46169      11.78119 
1 1 1 14  12 50 o 14.51035 6.355349 -0.6261586     17.22354 2.090109       26.46146 -2.622851      22.68731 17.98511 7.877341 16.08967 7.158766 1.895437       10.64427 
1 1 1 14  12 51 o 28.90884 6.851759 47.17827       19.09037 46.87750       28.85361 47.41244       25.45953 27.87815 9.152359 28.21308 8.511619 -0.3349304     12.49853 
1 1 1 14  12 52 o 15.83912 6.761013 3.670111       18.51712 -25.16689      27.99186 26.10856       24.69182 14.92911 7.087662 22.41101 8.372929 -7.481904      10.97000 
1 1 1 14  12 53 o 41.58825 5.332811 92.02660       21.20971 90.46992       31.50154 93.31745       28.68591 38.97661 8.497232 40.37183 7.536222 -1.395214      11.35771 
1 1 1 14  12 54 o 31.49733 6.908196 56.37676       20.71089 74.16414       31.51418 42.85371       27.47814 34.54541 9.168620 26.63842 8.937623 7.906988       12.80409 
1 1 1 14  12 55 o 35.35812 6.887411 71.03300       22.97963 73.78568       32.55651 68.30000       32.44002 34.01292 9.444076 32.60769 9.552074 1.405231       13.43252 
1 1 1 14  12 56 o 32.30888 8.668574 65.12150       27.98093 68.13992       32.84278 57.13000       53.43978 32.20978 9.656134 28.79598 11.82742 3.413797       15.26855 
1 1 1 14  13 0  o 106.1165 3.485575 552.4487       36.15547 648.7000       75.07542 523.3846       41.25465 114.6489 6.719387 103.2362 4.090677 11.41269       7.866626 
1 1 1 14  13 1  o 200.6383 4.209342 1974.044       82.66737 1923.538       117.0452 2024.316       116.7740 197.7564 6.053806 202.9026 5.885879 -5.146255      8.443467 
1 1 1 14  13 2  o 227.9787 5.348574 2551.811       119.3544 2339.000       198.8767 2671.606       149.2130 217.3557 9.369745 232.9930 6.549204 -15.63727      11.43172 
1 1 1 14  13 3  o 73.06055 3.076100 261.9820       21.94910 211.8973       34.60561 295.6918       28.39042 65.46619 5.449747 77.57710 3.749905 -12.11092      6.615249 
1 1 1 14  13 4  o 203.1882 4.250944 2024.753       84.54545 1918.949       117.7542 2137.326       121.4627 197.4995 6.098526 208.4685 5.958569 -10.96904      8.526227 
1 1 1 14  13 5  o 18.63408 6.308431 15.82004       13.68889 4.666215       27.50117 19.49373       15.78304 20.25522 8.417564 20.43614 6.771745 -0.1809216     10.80333 
1 1 1 14  13 6  o 207.6893 5.032408 2117.386       102.3049 2006.479       122.5049 2373.000       185.9797 201.9265 6.205401 219.0551 8.690982 -17.12865      10.67896 
1 1 1 14  13 7  o 139.8871 3.878614 960.1706       53.05680 851.3000       93.30544 1012.196       64.49972 131.2700 7.290286 143.5564 4.596097 -12.28641      8.618142 
1 1 1 14  13 8  o 40.49158 4.349297 81.34884       16.96823 77.11000       45.55430 82.03169       18.28396 38.97648 11.29138 40.61901 4.684402 -1.642536      12.22452 
1 1 1 14  13 9  f 129.5789 3.719248 823.8581       47.12444 829.5000       87.82203 821.5767       55.84504 129.6138 6.947617 129.3316 4.417859 0.2822113      8.233277 
1 1 1 14  13 10 o 168.5465 3.759394 1392.843       62.02170 1374.554       89.86665 1409.478       85.70511 167.1745 5.499379 169.3344 5.176850 -2.159866      7.552679 
1 1 1 14  13 11 o 173.5704 3.827000 1477.281       65.01900 1525.792       96.25060 1436.564       88.18005 176.1178 5.590419 170.9332 5.276646 5.184586       7.687378 
1 1 1 14  13 12 o 96.95009 3.637407 461.4803       34.45684 406.9980       44.50582 543.0000       54.44030 90.90086 5.021498 105.0000 5.314221 -14.09911      7.311387 
1 1 1 14  13 13 o 116.1675 3.732219 662.4281       42.38321 637.0905       54.64052 700.7000       67.15401 113.7958 4.917093 119.2382 5.770878 -5.442345      7.581612 
1 1 1 14  13 14 o 156.9175 4.226627 1209.108       64.85985 1165.323       80.69910 1289.000       109.0079 153.8906 5.365563 161.5810 6.908199 -7.690369      8.747141 
1 1 1 14  13 15 o 154.4111 3.587516 1169.213       54.22237 1099.414       76.85052 1238.404       76.51460 149.4698 5.260960 158.6988 4.931644 -9.229080      7.211020 
1 1 1 14  13 16 o 200.2818 4.233703 1968.918       82.99809 1894.202       116.4725 2046.000       118.3030 196.0498 6.076807 203.7928 5.936955 -7.742996      8.495588 
1 1 1 14  13 17 o 105.2825 3.137503 543.8722       32.29696 474.5495       46.88359 606.4794       44.55491 98.14972 4.895517 111.0852 4.104691 -12.93552      6.388628 
1 1 1 14  13 18 o 78.98012 3.082368 306.2867       23.78339 314.6779       37.16830 300.4688       30.94895 79.87691 4.775653 78.13100 4.060778 1.745911       6.268714 
1 1 1 14  13 19 o 135.3612 3.774976 899.9635       49.96780 868.5000       86.88499 915.5126       61.07927 132.4546 6.723486 136.4114 4.580927 -3.956879      8.135734 
1 1 1 14  13 20 o 170.3168 3.769745 1424.035       62.84573 1555.000       130.6054 1384.574       71.69116 177.0074 7.555505 167.7965 4.368638 9.210922       8.727580 
1 1 1 14  13 21 o 156.1007 3.575643 1196.198       54.63429 1169.000       106.3327 1205.954       63.68323 153.4763 7.097357 156.5980 4.158313 -3.121658      8.225816 
1 1 1 14  13 22 o 148.9667 4.060163 1091.620       59.14714 0.000000       0.000000 1091.620       59.14714 ?        ?        148.9667 4.060163 ?              ?        
1 1 1 14  13 23 o 76.62209 2.954738 288.5044       22.11895 296.2000       43.73505 285.8595       25.63978 77.19209 5.831423 76.21369 3.445879 0.9783936      6.773446 
1 1 1 14  13 24 o 71.29758 3.530487 250.4268       24.56194 0.000000       0.000000 250.4268       24.56194 ?        ?        71.29758 3.530487 ?              ?        
1 1 1 14  13 25 o 54.57891 3.220947 146.8656       17.13087 137.1000       32.10486 150.7529       20.25542 52.14656 6.425567 55.22522 3.769724 -3.078655      7.449748 
1 1 1 14  13 26 o 126.3575 3.233325 785.4292       39.95763 827.1000       78.59471 770.9042       46.40191 128.7763 6.253909 125.0620 3.794958 3.714333       7.315264 
1 1 1 14  13 27 o 95.66068 3.017800 450.2677       28.22192 563.2000       57.48961 414.4116       32.39381 106.3516 5.541661 91.66040 3.617661 14.69118       6.617967 
1 1 1 14  13 28 o 79.55510 3.004017 311.6779       23.35048 299.1000       43.09721 316.9046       27.78161 77.29865 5.736911 80.12246 3.551218 -2.823807      6.747095 
1 1 1 14  13 29 o 60.93682 3.223684 183.3665       19.15979 208.4000       35.42320 173.0142       22.77949 64.40047 5.677509 59.05045 3.964038 5.350021       6.924428 
1 1 1 14  13 30 o 82.71932 3.406245 338.0560       27.52066 356.6000       45.78106 327.5631       34.43758 84.30724 5.579104 81.18269 4.349621 3.124557       7.074292 
1 1 1 14  13 31 o 21.97727 6.323204 24.90634       14.33167 3.166000       23.57696 37.64727       18.04908 18.25811 7.704187 26.77986 6.856752 -8.521755      10.31356 
1 1 1 14  13 32 o 70.28964 3.201787 244.2468       21.97091 247.5000       39.35664 242.7740       26.48146 69.97153 5.798346 69.91222 3.885025 0.5931854E-01  6.979558 
1 1 1 14  13 33 o 119.9498 4.702607 718.3641       55.10640 832.9000       77.97855 604.1000       77.88596 128.2298 6.231352 108.4135 7.383621 19.81631       9.661656 
1 1 1 14  13 34 o 53.64458 3.634932 143.1333       18.97387 151.4724       25.89802 133.4709       27.87740 54.85030 4.874426 51.21108 5.655469 3.639217       7.466215 
1 1 1 14  13 35 o 59.89217 3.450098 178.1515       20.14030 205.2934       27.76394 148.0052       29.26029 64.00500 4.459499 53.90408 5.628471 10.10092       7.181004 
1 1 1 14  13 36 o 42.29477 4.234482 90.00867       17.29497 72.63705       22.93154 112.9254       26.33839 37.23563 6.529663 46.88265 5.867596 -9.647018      8.778678 
1 1 1 14  13 37 o 73.07617 3.216379 265.0020       22.95007 246.9313       30.66811 288.0018       34.59883 70.07558 4.494798 75.60834 4.698256 -5.532753      6.502063 
1 1 1 14  13 38 o 18.75485 6.653721 16.34129       15.30899 9.371305       21.07516 24.12748       22.27499 18.43363 7.481740 22.43498 8.018918 -4.001358      10.96720 
1 1 1 14  13 39 o 50.82845 4.904940 131.9493       24.10043 107.7000       33.71093 157.3000       34.46800 44.34031 8.064196 54.68011 6.571455 -10.33980      10.40266 
1 1 1 14  13 40 o 24.05473 8.625934 29.11040       25.79717 38.66000       30.28565 3.864000       49.24297 26.86999 9.372761 24.15989 10.65799 2.710102       14.19301 
1 1 1 14  13 41 o 26.98867 7.096322 40.02591       18.99163 44.42000       31.70776 37.56761       23.71642 28.22260 9.600552 26.11703 8.273719 2.105574       12.67379 
1 1 1 14  13 42 o 16.34019 6.591746 7.911574       16.24698 -21.95246      23.35571 35.91286       22.61558 13.92193 6.569054 25.52806 8.078456 -11.60613      10.41220 
1 1 1 14  13 43 o 16.52846 7.203469 -0.7521803E-01 21.89001 0.000000       0.000000 -0.7521803E-01 21.89001 ?        ?        16.52846 7.203469 ?              ?        
1 1 1 14  13 44 o 42.28322 6.112210 95.33817       24.56402 99.37000       39.28553 92.75000       31.47582 40.61565 9.959316 40.41417 8.236571 0.2014847      12.92397 
1 1 1 14  13 45 o 58.08025 4.563089 173.0706       25.73324 153.2000       43.58811 183.7016       31.88238 51.42990 8.985433 59.19720 5.567659 -7.767307      10.57056 
1 1 1 14  13 46 o 23.04702 8.067441 28.45972       22.44906 24.72929       25.30586 42.24000       48.63742 22.42068 8.455294 28.19488 11.39400 -5.774197      14.18856 
1 1 1 14  13 47 o 31.65905 6.249935 54.89308       18.68003 78.90179       27.33182 33.84811       25.58928 37.15206 7.766284 24.61738 8.613504 12.53469       11.59774 
1 1 1 14  13 48 o 61.17657 3.903466 190.5193       23.25254 218.8938       33.16756 163.0947       32.60771 64.57458 5.293850 55.03688 6.158311 9.537708       8.120938 
1 1 1 14  13 49 o 28.87627 6.871161 46.94850       19.13848 58.60156       28.52052 37.40270       25.81331 31.16429 8.905431 25.48521 8.662447 5.679073       12.42355 
1 1 1 14  13 50 o 50.66016 4.429914 132.5202       21.74608 106.3126       31.43440 156.5743       30.11521 43.14266 7.727562 54.15358 5.770127 -11.01092      9.644148 
1 1 1 14  13 51 o 14.88078 6.519452 -0.3996784     18.13598 -15.50451      28.14157 10.32995       23.71825 16.02924 7.447832 18.70909 7.799518 -2.679857      10.78437 
1 1 1 14  13 52 f 16.18493 6.838738 5.243711       18.61888 14.79177       29.27357 -1.242842      24.12821 20.72580 8.654450 16.71053 7.411745 4.015265       11.39445 
1 1 1 14  13 53 o 39.20550 5.720856 82.89466       21.30740 81.25726       32.66478 84.10740       28.11163 36.29288 9.187806 38.06429 7.807215 -1.771408      12.05688 
1 1 1 14  13 54 o 47.83137 5.427935 122.2471       24.96405 124.5068       34.62189 119.8000       36.02916 46.21696 7.939175 44.77270 8.532605 1.444260       11.65486 
1 1 1 14  13 55 o 34.49776 6.656098 67.34593       21.66158 48.25319       33.49298 81.07467       28.40109 27.49594 9.832371 36.78761 8.106290 -9.291674      12.74313 
1 1 1 14  13 56 o 33.81422 7.604959 67.88104       24.55906 91.70000       49.52924 60.11544       28.28055 34.57434 11.99056 30.76740 8.891694 3.806938       14.92768 
1 1 1 14  14 0  o 40.80627 4.086637 82.46992       16.10357 38.97940       27.90810 104.1780       19.71715 28.32076 8.975548 45.86959 4.447237 -17.54883      10.01690 
1 1 1 14  14 1  o 193.3026 4.706505 1833.573       89.05173 1660.000       148.1832 1931.695       111.4147 183.2375 8.283289 198.1966 5.749094 -14.95906      10.08290 
1 1 1 14  14 2  o 25.66973 5.784836 33.66125       14.18587 22.44979       27.29766 37.80923       16.60400 23.97948 8.832495 27.18823 6.353975 -3.208755      10.88053 
1 1 1 14  14 3  o 71.96275 3.745009 254.5640       26.28875 227.4183       36.13121 285.1000       38.32117 67.82405 5.489297 76.02579 5.180528 -8.201736      7.547864 
1 1 1 14  14 4  o 124.4070 4.602933 760.4660       55.95464 800.2000       87.05936 732.5000       73.03806 127.2953 7.014212 121.9056 6.140731 5.389641       9.322433 
1 1 1 14  14 5  o 156.1693 4.116078 1196.954       62.86469 1089.000       108.8787 1250.940       76.99535 148.4633 7.516806 159.5586 4.935834 -11.09535      8.992487 
1 1 1 14  14 6  o 184.5200 4.582275 1670.732       82.76196 1521.000       141.3068 1748.913       102.1078 175.3513 8.255987 188.5936 5.537277 -13.24222      9.940964 
1 1 1 14  14 7  o 160.3370 4.192168 1261.867       65.73640 1178.000       115.8187 1301.724       79.84325 154.3741 7.688954 162.7492 5.018018 -8.375153      9.181531 
1 1 1 14  14 8  o 161.8913 4.222475 1286.536       66.85376 1122.000       113.5760 1373.768       82.69827 150.6339 7.728804 167.1862 5.059291 -16.55237      9.237469 
1 1 1 14  14 9  o 120.7601 3.287783 715.2629       38.82651 627.1148       57.16570 790.7468       52.90002 112.8778 5.187803 126.8860 4.265340 -14.00817      6.716132 
1 1 1 14  14 10 o 129.5092 3.331409 822.6501       42.19625 769.8856       62.01313 868.1435       57.58197 125.1026 5.074738 132.9358 4.431450 -7.833229      6.737263 
1 1 1 14  14 11 o 121.8360 3.794144 728.6509       45.19245 691.3820       57.47720 789.0000       73.14039 118.5488 4.964259 126.5231 5.922268 -7.974266      7.727685 
1 1 1 14  14 12 o 188.2854 4.699567 1740.596       86.61250 1693.104       106.5707 1833.000       148.6528 185.4402 5.878636 192.4993 7.906113 -7.059097      9.852157 
1 1 1 14  14 13 o 32.40611 4.590336 52.57682       14.15347 30.06539       29.48810 59.31521       16.13330 26.25152 9.241683 34.40461 4.931545 -8.153093      10.47515 
1 1 1 14  14 14 o 146.1348 3.471673 1047.180       49.65909 1040.604       72.91315 1052.869       67.82023 145.4203 5.130451 146.3334 4.741143 -0.9131622     6.985697 
1 1 1 14  14 15 o 127.1936 3.288098 793.7372       40.90269 750.8398       59.76387 831.5364       56.10010 123.5109 4.953463 130.0624 4.413011 -6.551498      6.634113 
1 1 1 14  14 16 f 16.45168 6.064255 10.47538       12.87210 -26.11143      29.00338 19.44957       14.36428 16.22270 7.545630 20.11042 6.446667 -3.887722      9.924518 
1 1 1 14  14 17 o 159.4420 4.172719 1249.123       65.06608 1130.000       109.5478 1314.053       80.87757 150.9846 7.435371 163.3848 5.063312 -12.40018      8.995659 
1 1 1 14  14 18 o 143.5804 3.417224 1011.330       48.02581 930.5000       94.25655 1039.673       55.81427 137.0214 7.051476 145.4714 3.923359 -8.449982      8.069452 
1 1 1 14  14 19 o 37.93580 4.081350 71.49753       14.91700 34.29000       36.02818 79.19553       16.38762 28.35097 10.19057 39.92338 4.259260 -11.57241      11.04486 
1 1 1 14  14 20 f 148.4090 3.481295 1081.093       50.57169 1147.000       104.1299 1060.750       57.85255 152.0338 7.016190 146.8792 4.027784 5.154648       8.090116 
1 1 1 14  14 21 o 119.5171 3.162119 701.4581       36.96006 722.4000       75.11436 694.7681       42.45517 120.6715 6.382031 118.8783 3.652896 1.793228       7.353501 
1 1 1 14  14 22 o 22.50636 5.937763 25.95028       13.26773 16.09000       30.41551 28.26747       14.74451 23.20600 9.130623 23.49060 6.288202 -0.2846031     11.08647 
1 1 1 14  14 23 o 87.50813 2.998436 376.3406       25.64528 377.1000       50.38842 376.0751       29.79255 87.06972 5.948033 87.41305 3.488981 -0.3433304     6.895802 
1 1 1 14  14 24 o 59.78979 3.131053 176.0800       18.26028 220.5000       38.31697 163.0275       20.77056 66.42294 5.956590 57.44799 3.713644 8.974949       7.019410 
1 1 1 14  14 25 o 111.8899 3.100878 615.6947       33.92835 675.2000       68.65176 596.4640       39.02759 116.4025 6.046084 110.0285 3.628730 6.373978       7.051441 
1 1 1 14  14 26 o 35.68394 4.275153 63.73402       14.63556 110.1000       30.31503 49.64271       16.71221 46.44498 6.875697 31.14357 5.691936 15.30141       8.925993 
1 1 1 14  14 27 o 67.15189 3.130034 222.3108       20.51715 238.2000       39.36230 216.3835       24.04136 68.89753 5.893282 66.14760 3.728208 2.749931       6.973543 
1 1 1 14  14 28 o 165.3000 3.760236 1348.427       60.84068 1406.000       120.3619 1328.668       70.51233 166.6793 7.395778 163.7767 4.402516 2.902634       8.606956 
1 1 1 14  14 29 f 64.05147 3.559218 203.0818       22.22690 213.4000       37.42974 197.4613       27.62510 65.02214 5.946743 62.93960 4.514060 2.082542       7.465956 
1 1 1 14  14 30 o 169.7087 3.831937 1424.323       63.65444 1450.000       124.6895 1415.273       74.02750 168.5606 7.576686 168.7890 4.484642 -0.2283783     8.804441 
1 1 1 14  14 31 o 97.81015 3.164419 472.3028       30.25605 497.6000       56.99983 462.3789       35.70072 99.35594 5.887419 96.59663 3.783113 2.759315       6.998117 
1 1 1 14  14 32 o 63.57182 4.067825 201.2972       25.17958 188.6000       38.08278 211.1591       33.56261 60.70549 6.510661 64.71514 5.346033 -4.009651      8.424296 
1 1 1 14  14 33 o 32.04650 5.531288 52.96958       16.72367 69.65000       29.57929 45.13225       20.27535 35.91657 8.539460 29.15693 7.157967 6.759645       11.14266 
1 1 1 14  14 34 o 86.79141 3.202164 372.7311       27.15698 363.3817       36.56410 384.2340       40.55704 85.28443 4.394872 87.55472 4.750180 -2.270287      6.471407 
1 1 1 14  14 35 f 16.27056 6.478936 7.694808       15.48530 -6.128061      21.07650 23.90934       22.82715 15.50258 6.898603 22.67189 8.116075 -7.169310      10.65183 
1 1 1 14  14 36 o 19.22416 6.722443 17.33868       15.58523 18.44818       21.12954 16.01475       23.08124 20.79445 7.750103 20.64788 8.002822 0.1465702      11.14043 
1 1 1 14  14 37 o 54.38113 3.763402 147.9619       19.90893 153.1919       27.39799 142.1107       28.97948 54.82115 5.166739 52.54709 5.726807 2.274055       7.713074 
1 1 1 14  14 38 o 38.77037 4.761425 76.90216       17.69039 81.91060       24.62819 71.56360       25.42691 39.27730 6.642543 36.33043 7.401762 2.946873       9.945324 
1 1 1 14  14 39 f 69.17902 3.426803 239.0390       23.13215 225.7723       31.13083 255.3949       34.56572 66.58036 4.809224 70.70715 5.027103 -4.126793      6.957039 
1 1 1 14  14 40 o 28.38535 6.400077 43.52542       17.35625 67.16853       23.78530 16.59838       25.38346 35.08129 7.169078 20.97327 8.313315 14.10801       10.97756 
1 1 1 14  14 41 o 35.88798 8.511032 73.24772       29.44193 82.21000       36.10846 55.47000       50.85547 37.32559 9.770756 31.30626 11.94445 6.019327       15.43170 
1 1 1 14  14 42 o 40.07151 6.946603 87.22034       26.25974 0.000000       0.000000 87.22034       26.25974 ?        ?        40.07151 6.946603 ?              ?        
1 1 1 14  14 43 o 48.57291 5.561848 123.5231       25.96723 104.1000       39.28064 138.6000       34.60799 41.83845 9.769751 50.42643 7.217057 -8.587982      12.14635 
1 1 1 14  14 44 o 35.39474 6.398273 67.87701       21.35135 64.68000       37.74467 69.38143       25.89216 32.47730 10.45389 35.05499 7.751950 -2.577690      13.01447 
1 1 1 14  14 45 f 13.67319 6.627231 -38.55979      27.49722 -29.22000      34.41045 -55.06000      45.73687 16.68299 7.902182 17.64591 8.551428 -0.9629173     11.64351 
1 1 1 14  14 46 o 38.15586 6.064228 78.55255       21.89167 62.74000       39.10697 85.76903       26.41896 31.54005 10.66271 39.23845 7.141578 -7.698395      12.83337 
1 1 1 14  14 47 o 14.97667 6.676617 -3.550037      19.83385 9.477000       35.86051 -9.291277      23.80655 21.35467 9.264204 15.48680 7.068908 5.867871       11.65311 
1 1 1 14  14 48 o 58.72689 3.936127 175.7188       22.49558 189.0003       31.91316 162.6018       31.71488 59.81381 5.512805 55.10106 5.975822 4.712749       8.130281 
1 1 1 14  14 49 o 58.02774 4.034956 172.1526       22.77545 169.5312       32.57608 174.6593       31.85472 56.15628 6.020309 57.21279 5.766801 -1.056507      8.336674 
1 1 1 14  14 50 o 30.83339 6.746988 53.38231       19.79572 38.17242       29.31063 66.13865       26.84263 25.67529 9.196074 33.43512 8.252647 -7.759832      12.35613 
1 1 1 14  14 51 o 17.41835 7.034916 10.62780       18.52901 39.53283       28.75852 -9.887428      24.22803 25.96737 9.127869 15.47741 7.089739 10.48995       11.55778 
1 1 1 14  14 52 o 35.10007 6.170459 67.68914       20.42634 49.37993       30.35022 82.84937       27.61723 28.28731 9.391022 37.82639 7.720558 -9.539085      12.15723 
1 1 1 14  14 53 o 37.93282 6.537168 79.93591       23.39619 61.61246       32.51837 99.60000       33.68697 31.13861 9.663091 40.66385 8.724800 -9.525238      13.01912 
1 1 1 14  14 54 o 39.15609 5.911728 83.78609       21.95277 78.92118       33.22346 87.55617       29.24711 35.21238 9.445019 38.43718 8.032824 -3.224804      12.39898 
1 1 1 14  14 55 o 56.83136 5.206538 172.3421       28.64150 138.1000       53.49084 186.1054       33.91256 43.03232 12.16253 58.27031 6.032922 -15.23799      13.57658 
1 1 1 14  15 0  o 132.0693 4.835381 857.3275       62.40292 883.5000       95.18655 837.6000       82.63963 133.7104 7.300539 130.3125 6.499338 3.397964       9.774419 
1 1 1 14  15 1  o 146.0107 3.496506 1045.016       49.97181 948.3644       70.47318 1142.759       70.87012 138.8682 5.193747 152.5123 4.753161 -13.64412      7.040422 
1 1 1 14  15 2  o 248.7112 7.089466 3049.348       172.4137 2964.000       242.2228 3137.000       245.4693 244.2795 10.15242 251.3747 9.996231 -7.095200      14.24767 
1 1 1 14  15 3  o 62.31466 4.523576 191.5434       27.40383 133.4000       45.04790 225.7000       34.52724 51.14694 9.342195 67.58588 5.260550 -16.43894      10.72147 
1 1 1 14  15 4  o 169.4200 4.323352 1409.105       71.63684 1432.000       129.8898 1399.096       85.87885 170.2019 7.817463 168.6999 5.206974 1.501938       9.392833 
1 1 1 14  15 5  o 83.90606 3.528714 345.7315       28.91648 249.1000       60.24138 374.6623       32.96216 70.42702 8.939917 87.32363 3.865943 -16.89661      9.740002 
1 1 1 14  15 6  o 17.24724 7.171738 3.256538       19.97980 25.44000       47.12063 -1.606000      22.06114 29.07845 11.38758 17.08223 7.337471 11.99622       13.54679 
1 1 1 14  15 7  o 87.86437 3.531716 379.0822       30.31230 297.6000       62.80938 403.8225       34.60954 77.15816 8.454705 90.65812 3.909353 -13.49996      9.314777 
1 1 1 14  15 8  o 22.56025 6.536947 25.56157       15.26671 -17.67424      31.50647 38.82812       17.45247 18.18938 8.235373 27.53747 6.567363 -9.348091      10.53336 
1 1 1 14  15 9  o 195.0392 4.172472 1866.368       79.65659 1751.778       111.2452 1986.940       114.1123 188.6075 6.033586 200.9249 5.808296 -12.31740      8.374990 
1 1 1 14  15 10 o 131.5038 3.918783 849.0081       50.38612 835.6393       64.76910 869.5000       80.18860 130.3235 5.087141 132.7761 6.187032 -2.452545      8.009892 
1 1 1 14  15 11 o 213.7501 5.160078 2245.172       107.9615 2270.490       135.4108 2201.000       178.8631 214.6122 6.453370 210.6826 8.691993 3.929535       10.82574 
1 1 1 14  15 12 o 158.4440 3.651264 1231.260       56.62724 1185.596       81.70615 1273.467       78.55290 155.1927 5.386868 160.9120 4.993366 -5.719376      7.345206 
1 1 1 14  15 13 o 74.59600 3.092418 273.2361       22.53083 258.1661       37.36068 281.8493       28.24496 72.26701 5.318902 75.69982 3.824274 -3.432808      6.551014 
1 1 1 14  15 14 o 115.9457 3.195813 659.5883       36.23497 625.0070       54.36487 687.2305       48.60545 112.6643 4.941783 118.2454 4.206171 -5.581085      6.489460 
1 1 1 14  15 15 o 228.4687 4.680057 2564.869       104.6608 2502.516       147.7257 2627.708       148.3014 225.1033 6.712021 230.7121 6.573730 -5.608795      9.394954 
1 1 1 14  15 16 o 122.6123 3.202686 737.7558       38.40454 692.9000       79.32623 751.4880       43.89122 118.2428 6.883636 123.7020 3.628810 -5.459267      7.781562 
1 1 1 14  15 17 o 142.0311 3.402238 989.6799       47.29926 916.4000       93.62160 1014.795       54.80846 135.9523 7.059495 143.7151 3.899784 -7.762833      8.065035 
1 1 1 14  15 18 o 13.33862 5.507018 2.451941       11.66477 -34.77000      36.81796 6.605026       12.29832 18.05323 8.431811 14.91551 5.824516 3.137716       10.24795 
1 1 1 14  15 19 f 95.45024 3.045963 447.3679       28.42179 387.3000       58.43424 465.9821       32.52881 88.19756 6.821676 97.37666 3.418071 -9.179092      7.630104 
1 1 1 14  15 20 o 133.6188 3.780421 877.9332       49.39436 902.2000       89.23518 867.2135       59.30911 134.7560 6.787068 132.6549 4.574485 2.101105       8.184754 
1 1 1 14  15 21 o 180.1864 3.926696 1596.463       69.25570 1509.000       133.7660 1628.494       80.94975 173.7836 7.884303 181.7827 4.553011 -7.999054      9.104512 
1 1 1 14  15 22 o 110.0608 3.586884 596.0549       38.59011 0.000000       0.000000 596.0549       38.59011 ?        ?        110.0608 3.586884 ?              ?        
1 1 1 14  15 23 o 104.1950 3.549987 534.4979       36.15306 0.000000       0.000000 534.4979       36.15306 ?        ?        104.1950 3.549987 ?              ?        
1 1 1 14  15 24 o 55.52428 3.270677 152.0928       17.69697 170.7000       38.77413 147.1968       19.88941 58.07050 6.960001 54.55158 3.747615 3.518921       7.904824 
1 1 1 14  15 25 o 71.43369 3.055157 251.2978       21.31271 315.6000       45.18279 232.8961       24.17067 79.45375 5.850717 68.67777 3.608215 10.77598       6.873871 
1 1 1 14  15 26 o 85.27586 3.017712 358.0519       25.14925 483.2000       53.98626 323.3661       28.42153 98.39068 5.629103 80.93056 3.596789 17.46011       6.680096 
1 1 1 14  15 27 o 38.71779 4.242480 74.99380       15.81520 69.92000       32.15057 76.61346       18.16491 36.24797 9.081306 39.00856 4.862668 -2.760586      10.30125 
1 1 1 14  15 28 f 114.4146 4.443547 649.9127       49.66966 0.000000       0.000000 649.9127       49.66966 ?        ?        114.4146 4.443547 ?              ?        
1 1 1 14  15 29 o 27.36080 5.973180 38.94831       15.54729 81.73000       31.74688 25.45073       17.83200 39.18457 8.520488 22.53536 7.178413 16.64921       11.14129 
1 1 1 14  15 30 f 30.46073 6.659532 48.64285       19.30093 63.88000       31.63326 39.60623       24.36099 34.41987 9.209005 27.53644 8.329957 6.883430       12.41749 
1 1 1 14  15 31 o 64.12686 4.101678 204.8519       25.61091 224.2000       40.66844 192.1357       32.96982 66.31818 6.342137 61.65697 5.521345 4.661209       8.408802 
1 1 1 14  15 32 o 81.53239 3.226213 328.8308       25.69634 296.4000       46.06980 343.4767       30.95960 76.29976 6.222591 83.15728 3.813701 -6.857521      7.298285 
1 1 1 14  15 33 o 77.29668 3.296213 295.8822       24.88194 248.6000       44.10845 317.9508       30.13432 69.62835 6.548756 79.96027 3.861595 -10.33192      7.602507 
1 1 1 14  15 34 o 24.07474 6.662528 30.56316       16.23266 25.45279       22.56872 36.04045       23.36487 23.05972 8.087648 26.20791 8.199996 -3.148195      11.51738 
1 1 1 14  15 35 o 64.95364 3.465127 209.7293       21.95100 225.4592       30.19994 192.1105       31.96173 66.95056 4.637001 61.49277 5.363692 5.457794       7.090202 
1 1 1 14  15 36 o 81.24378 3.255470 327.6956       25.83626 347.5514       35.84249 306.2202       37.27562 83.18166 4.417991 77.82507 4.918427 5.356590       6.611322 
1 1 1 14  15 37 o 36.61563 5.058183 69.01945       17.64500 52.69951       24.69361 86.04584       25.22240 30.90850 8.074782 40.31564 6.621211 -9.407143      10.44234 
1 1 1 14  15 38 o 17.17733 6.684488 10.76121       16.15305 0.8016251      22.81053 20.77922       22.87734 17.14476 7.413335 21.51336 8.054972 -4.368601      10.94715 
1 1 1 14  15 39 o 30.57147 5.948627 49.73590       17.15997 46.21929       23.78812 53.55121       24.77784 28.76995 8.103664 30.92306 8.093413 -2.153107      11.45307 
1 1 1 14  15 40 o 71.75813 3.429044 257.6430       24.01551 230.0781       31.97851 293.2983       36.36982 67.03577 4.907554 75.70671 4.934851 -8.670937      6.959658 
1 1 1 14  15 41 o 34.23405 6.363791 63.08939       20.53986 86.10000       33.99041 49.85374       25.77893 38.50052 9.154252 29.56644 8.472287 8.934074       12.47317 
1 1 1 14  15 42 o 65.14535 4.902613 218.0609       31.03265 218.0609       31.03265 0.000000       0.000000 65.14535 4.902613 ?        ?        ?              ?        
1 1 1 14  15 43 o 41.88367 5.568297 92.39083       22.26324 112.8000       38.47080 82.11415       27.29888 43.87803 9.249303 38.36725 7.538053 5.510773       11.93197 
1 1 1 14  15 44 o 39.26809 8.495141 89.09482       31.70190 94.38000       40.09480 80.28000       51.78035 39.04601 10.33188 34.81233 12.24719 4.233673       16.02316 
1 1 1 14  15 45 o 24.09897 7.771591 32.42489       20.85377 26.45000       38.73996 34.86259       24.74483 24.63033 10.08814 24.94233 8.481223 -0.3120041     13.17960 
1 1 1 14  15 46 o 51.10476 5.135368 136.7782       25.34068 203.6000       48.54193 111.7459       29.71041 59.25745 8.621568 44.94347 6.979960 14.31399       11.09285 
1 1 1 14  15 47 o 59.32771 4.744130 182.6047       27.32054 162.5000       50.43793 190.9528       32.50148 50.80259 10.49058 60.02618 5.596148 -9.223591      11.88987 
1 1 1 14  15 48 o 15.69544 6.832127 0.8897520      19.64077 30.62000       36.07630 -11.63426      23.41502 24.74493 9.877250 15.00594 6.908977 9.738993       12.05380 
1 1 1 14  15 49 o 13.18078 6.145513 -13.87316      19.42252 -7.959000      37.69391 -16.01098      22.66263 19.43462 8.880017 14.14188 6.608366 5.292737       11.06911 
1 1 1 14  15 50 o 39.66148 6.158346 85.73574       23.13270 89.94000       42.79787 84.00051       27.49515 36.66180 11.03016 38.26969 7.607992 -1.607883      13.39948 
1 1 1 14  15 51 o 20.84269 7.383870 22.99662       18.84740 3.102257       28.54461 38.37396       25.09572 18.60667 8.164639 25.57539 8.540763 -6.968716      11.81550 
1 1 1 14  15 52 f 19.84316 7.697829 18.11191       21.37003 32.21896       31.24668 5.715000       29.29155 24.31414 9.341120 19.14445 8.338335 5.169699       12.52136 
1 1 1 14  15 53 o 24.40230 7.736928 34.71760       20.73509 22.20822       32.83124 43.01818       26.74383 22.44108 9.249401 26.60941 8.814805 -4.168329      12.77702 
1 1 1 14  15 54 o 35.30017 8.626077 76.71604       29.54828 98.42326       35.40554 26.90000       53.63567 39.47521 9.314424 25.22931 11.12676 14.24591       14.51080 
1 1 1 14  15 55 o 26.34401 8.265512 42.47895       23.72302 58.09000       54.53295 38.83506       26.34662 28.84634 11.90813 25.20885 8.745081 3.637486       14.77430 
1 1 1 14  16 0  o 59.32677 3.522647 173.1528       20.36416 98.29610       34.65962 212.6181       25.16611 43.89446 8.372357 65.72600 3.929708 -21.83154      9.248728 
1 1 1 14  16 1  o 211.8427 5.125073 2204.225       106.2723 2196.856       131.6648 2218.000       180.0137 211.1875 6.376657 211.6188 8.709116 -0.4313507     10.79400 
1 1 1 14  16 2  o 145.9543 3.981424 1045.617       56.82714 963.1000       99.37556 1085.711       69.27067 139.5859 7.298664 148.6358 4.767404 -9.049896      8.717720 
1 1 1 14  16 3  o 229.0635 4.698310 2575.763       105.3426 2438.476       146.5626 2722.485       151.5146 222.4192 6.739783 235.0619 6.591661 -12.64272      9.427337 
1 1 1 14  16 4  o 122.4056 3.782927 735.4509       45.27036 605.6000       83.62295 789.2839       53.84270 110.5079 7.780554 126.7524 4.346175 -16.24449      8.912141 
1 1 1 14  16 5  o 159.4792 4.234058 1248.784       66.03629 1086.000       114.7321 1329.427       80.75336 148.0958 7.943796 164.4450 5.022769 -16.34918      9.398516 
1 1 1 14  16 6  o 54.79594 3.965693 148.0500       21.12639 98.62000       48.53245 159.6062       23.46638 43.67669 11.27525 56.87573 4.245783 -13.19904      12.04815 
1 1 1 14  16 7  o 102.4561 3.963462 515.7022       39.67336 434.5283       49.85278 655.9000       65.51669 93.86523 5.449414 115.3340 5.822312 -21.46876      7.974674 
1 1 1 14  16 8  o 141.9932 3.490281 988.5789       48.51033 950.8100       71.35347 1021.040       66.14962 138.9946 5.254043 144.1226 4.695361 -5.128052      7.046373 
1 1 1 14  16 9  o 142.0999 4.092370 991.6434       56.86203 966.2114       72.26052 1033.000       92.14745 140.1043 5.278625 144.6577 6.524613 -4.553436      8.392525 
1 1 1 14  16 10 o 193.9710 4.830180 1848.392       91.70780 1847.476       114.8801 1850.000       152.2699 193.6181 6.069169 193.2402 8.068017 0.3778687      10.09593 
1 1 1 14  16 11 o 93.52275 3.121161 429.2398       28.53191 413.5204       45.51958 439.4125       36.61806 91.58087 5.098057 94.54712 3.965575 -2.966248      6.458790 
1 1 1 14  16 12 o 76.57883 3.142860 287.9766       23.50802 297.5203       40.87020 283.2581       28.73765 77.58745 5.415571 75.88023 3.882059 1.707214       6.663242 
1 1 1 14  16 13 o 74.19998 3.448491 270.6133       24.97754 166.5000       50.35931 304.5817       28.76502 57.17717 9.318748 78.70017 3.744816 -21.52300      10.04304 
1 1 1 14  16 14 o 57.93096 3.310679 165.1299       18.69485 148.5771       34.12288 172.2294       22.34717 54.49458 6.526822 59.10919 3.883955 -4.614616      7.595032 
1 1 1 14  16 15 o 103.2468 3.475343 523.5897       35.07206 458.1000       67.86841 547.4505       40.96595 95.96163 7.279742 105.5185 3.973424 -9.556831      8.293536 
1 1 1 14  16 16 o 40.39917 3.727981 80.79494       14.57569 53.66000       43.40833 84.24316       15.47411 33.54404 11.23322 41.24056 3.878863 -7.696522      11.88406 
1 1 1 14  16 17 o 61.50840 4.016040 186.6479       24.04679 163.4000       47.68069 194.5780       27.84768 56.60965 8.898155 62.73531 4.566195 -6.125652      10.00136 
1 1 1 14  16 18 o 46.61271 3.519477 107.2786       15.93927 19.99000       42.84732 121.2982       17.17164 27.02073 10.77141 49.57617 3.562359 -22.55544      11.34520 
1 1 1 14  16 19 o 64.72679 3.416973 206.2944       21.57201 0.000000       0.000000 206.2944       21.57201 ?        ?        64.72679 3.416973 ?              ?        
1 1 1 14  16 20 o 65.33038 3.121089 209.9962       19.90076 214.5000       45.46988 208.9291       22.13320 65.28957 7.236338 65.12125 3.484977 0.1683121      8.031790 
1 1 1 14  16 21 o 169.2242 3.777477 1408.509       62.57063 1465.000       128.0830 1390.801       71.70968 171.1057 7.666998 167.9621 4.365447 3.143616       8.822698 
1 1 1 14  16 22 o 110.8174 3.113087 603.7593       33.73454 559.6000       68.19328 618.0674       38.81685 105.8374 6.615665 112.0491 3.543659 -6.211716      7.504968 
1 1 1 14  16 23 o 50.63384 3.460001 126.7078       17.04534 218.9000       42.50936 109.0448       18.60668 65.92346 6.679866 46.85651 4.098091 19.06696       7.836770 
1 1 1 14  16 24 o 34.98089 4.326682 61.32027       14.49918 133.3000       37.17183 48.40368       15.74646 50.94795 7.693345 30.79674 5.421546 20.15121       9.411733 
1 1 1 14  16 25 o 40.35891 3.951984 81.12762       15.41219 104.5000       35.49791 75.69837       17.10887 44.71452 8.419341 38.85136 4.587283 5.863155       9.587934 
1 1 1 14  16 26 o 44.33394 4.307912 98.12240       18.45889 49.36000       35.68234 115.9399       21.56924 31.15089 10.17507 48.15637 4.632989 -17.00548      11.18019 
1 1 1 14  16 27 o 181.6701 4.594348 1638.600       81.63284 1904.000       153.6762 1534.272       96.35079 192.9302 8.156068 175.1646 5.626865 17.76563       9.908736 
1 1 1 14  16 28 o 124.3844 3.295709 763.5580       40.09021 872.1000       83.41501 730.9553       45.71636 131.3819 6.506623 121.5138 3.848467 9.868118       7.559553 
1 1 1 14  16 29 o 100.1457 3.691154 496.5948       36.12079 496.1000       60.70598 496.8659       44.94218 99.01219 6.296401 99.85046 4.610753 -0.8382721     7.804082 
1 1 1 14  16 30 o 97.72566 3.726154 473.4085       35.57782 473.5000       58.97104 473.3562       44.61131 96.62650 6.268836 97.35925 4.695086 -0.7327499     7.832122 
1 1 1 14  16 31 o 40.71458 4.559273 83.57966       17.85820 119.2000       35.30261 71.32997       20.70239 47.54959 7.859296 37.20392 5.880103 10.34567       9.815505 
1 1 1 14  16 32 o 52.99308 3.911806 140.1025       20.14793 147.4000       37.93262 137.2347       23.77962 53.07649 7.510983 52.22548 4.702042 0.8510094      8.861381 
1 1 1 14  16 33 o 59.96494 3.686220 179.0211       21.53182 160.6000       41.27029 185.9106       25.23914 55.15287 7.867502 60.94168 4.257892 -5.788815      8.945794 
1 1 1 14  16 34 o 90.63559 3.241298 407.0329       28.70940 416.6526       39.80702 396.6052       41.44495 91.20046 4.472838 88.82710 4.784379 2.373360       6.549546 
1 1 1 14  16 35 o 104.6175 3.267579 542.9851       33.41978 549.0206       46.29055 536.4146       48.29882 104.5489 4.534198 103.1833 4.795237 1.365547       6.599489 
1 1 1 14  16 36 o 54.96989 3.821926 151.4221       20.43620 171.0775       29.14508 132.4113       28.66325 57.89017 5.198751 50.56953 5.901497 7.320637       7.864775 
1 1 1 14  16 37 o 41.67047 4.521535 88.45930       18.14730 80.32443       24.97563 97.55741       26.41294 38.73975 6.836305 42.94907 6.484677 -4.209316      9.422638 
1 1 1 14  16 38 o 43.81483 4.370739 97.68836       18.49503 90.98814       25.53688 105.0801       26.82229 41.33073 6.528867 44.57600 6.324712 -3.245270      9.089999 
1 1 1 14  16 39 o 34.46991 5.425224 62.27437       17.70046 47.33589       24.22428 79.38647       25.92683 29.01017 8.179816 38.14719 7.207594 -9.137016      10.90224 
1 1 1 14  16 40 o 37.72164 5.827582 75.21137       20.82450 47.54000       33.34946 92.89669       26.66121 28.89239 9.845643 41.48826 6.800617 -12.59588      11.96600 
1 1 1 14  16 41 o 18.30871 6.983918 14.01599       17.38376 23.61558       23.59232 2.613000       25.71306 22.12760 8.200276 18.20463 7.871243 3.922976       11.36666 
1 1 1 14  16 42 o 34.95693 5.468708 64.51723       18.09933 66.73508       25.33619 62.20591       25.86461 34.42936 7.710177 33.02698 8.070437 1.402386       11.16149 
1 1 1 14  16 43 o 18.30194 7.641945 8.232591       22.82299 24.15961       25.73027 -50.54000      49.42702 22.43490 8.511140 18.83137 9.067422 3.603529       12.43614 
1 1 1 14  16 44 o 28.11575 6.795158 43.97898       18.49113 36.66336       27.28119 50.19603       25.14950 25.59183 8.897646 29.38530 8.351315 -3.793465      12.20297 
1 1 1 14  16 45 o 17.74097 6.992098 12.22630       17.86296 9.137072       26.99015 14.63414       23.82835 19.40167 8.217563 19.74533 7.976665 -0.3436623     11.45232 
1 1 1 14  16 46 o 19.75514 7.666892 17.30243       21.20539 10.46000       45.33997 19.21820       23.99102 23.12930 10.21411 20.73923 8.124413 2.390066       13.05121 
1 1 1 14  16 47 o 18.34587 7.489403 11.29333       21.26460 -33.80000      44.45206 24.67462       24.21502 18.63165 8.870011 22.06762 8.281999 -3.435976      12.13543 
1 1 1 14  16 48 o 40.19547 6.201875 88.08400       23.61682 113.8000       47.97594 79.85939       27.13186 40.94815 11.49934 37.24522 7.696862 3.702934       13.83750 
1 1 1 14  16 49 o 22.57010 7.968807 27.86821       21.93664 -5.896000      47.99769 36.78308       24.66320 21.66430 9.944222 25.16829 8.467652 -3.503986      13.06096 
1 1 1 14  16 50 o 57.68515 4.974571 174.2095       27.81419 151.7000       53.46867 182.5605       32.56752 47.37108 11.62067 58.41894 5.770703 -11.04786      12.97463 
1 1 1 14  16 51 o 25.27740 9.192077 37.15000       29.42139 0.000000       0.000000 37.15000       29.42139 ?        ?        25.27740 9.192077 ?              ?        
1 1 1 14  16 52 o 19.30524 8.085649 11.67163       25.66814 0.000000       0.000000 11.67163       25.66814 ?        ?        19.30524 8.085649 ?              ?        
1 1 1 14  16 53 o 16.89164 7.913161 -17.99477      32.83694 -8.592000      41.91245 -32.94000      52.84044 19.91753 9.196568 19.95887 9.548223 -0.4134369E-01 13.25690 
1 1 1 14  16 54 o 17.40619 7.396365 7.576809       21.98595 -20.49000      44.34347 16.72539       25.31688 19.12134 9.031207 19.96543 8.163775 -0.8440895     12.17415 
1 1 1 14  17 0  o 77.94798 3.893507 298.7671       29.61250 234.5555       39.94644 377.1000       44.12082 68.78974 5.992389 87.45438 5.177302 -18.66463      7.919165 
1 1 1 14  17 1  o 58.23331 3.847945 167.0512       21.81050 111.6000       45.57901 183.5195       24.83895 46.50406 10.28616 61.01408 4.184411 -14.51001      11.10470 
1 1 1 14  17 2  o 251.6156 5.837195 3114.273       143.7633 3476.000       271.7652 2973.713       169.4078 264.1233 10.53302 245.4860 7.057507 18.63728       12.67883 
1 1 1 14  17 3  o 162.3326 4.301803 1294.201       68.29350 1125.000       118.6114 1378.111       83.52840 150.6643 8.072321 167.3988 5.103677 -16.73454      9.550387 
1 1 1 14  17 4  x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  17 5  o 72.08746 3.362322 255.3284       23.65959 196.6678       40.18344 286.4553       29.27129 62.83418 6.633493 76.31260 3.931934 -13.47842      7.711247 
1 1 1 14  17 6  o 83.20769 3.232937 339.9198       26.28087 311.0652       43.83962 356.1064       32.83501 79.31979 5.684179 85.10372 3.952485 -5.783936      6.923296 
1 1 1 14  17 7  o 124.8426 3.975597 765.5328       48.51962 695.3764       61.21363 884.1000       79.57870 118.8120 5.276749 133.8613 6.089399 -15.04933      8.057597 
1 1 1 14  17 8  o 154.2158 5.160706 1170.448       77.79148 1140.000       116.4301 1195.000       104.5533 151.6359 7.871300 155.4921 6.886552 -3.856247      10.45858 
1 1 1 14  17 9  o 26.80805 7.297550 36.64463       19.65862 -35.68002      36.42036 66.38000       23.35274 17.86677 8.358251 36.09801 6.859903 -18.23123      10.81289 
1 1 1 14  17 10 o 50.17022 3.822514 124.2153       18.63028 56.42636       34.08268 153.1011       22.24829 33.37557 9.794740 55.69799 4.109798 -22.32242      10.62202 
1 1 1 14  17 11 o 148.4339 3.547783 1080.820       51.54617 1039.836       75.30995 1116.943       70.70258 145.2888 5.304492 150.6732 4.800069 -5.384460      7.153901 
1 1 1 14  17 12 o 99.21648 3.135685 483.1824       30.41423 485.8054       48.67860 481.5028       38.95328 99.25978 5.026604 98.94977 4.030258 0.3100128      6.442804 
1 1 1 14  17 13 o 109.4361 3.150937 587.8130       33.71738 453.0000       71.46050 626.4210       38.24184 95.32475 7.724819 112.9427 3.463281 -17.61800      8.465645 
1 1 1 14  17 14 o 59.06570 3.197963 171.6226       18.42011 109.0000       51.97697 180.6172       19.69859 45.66312 11.60612 60.58496 3.334588 -14.92184      12.07566 
1 1 1 14  17 15 o 121.6831 3.218629 726.9154       38.30241 616.8000       78.98055 760.7767       43.79739 111.3473 7.286631 124.4392 3.599494 -13.09183      8.127198 
1 1 1 14  17 16 o 188.0286 4.048340 1737.425       74.50871 1737.000       151.7646 1737.560       85.52539 186.5981 8.330155 187.9131 4.649774 -1.314972      9.540015 
1 1 1 14  17 17 o 71.68246 3.112578 252.6193       21.78728 116.1000       51.36330 282.5724       24.05897 46.98427 11.30610 75.80590 3.249959 -28.82163      11.76393 
1 1 1 14  17 18 o 169.7828 4.463918 1420.214       74.12065 1394.000       127.8622 1433.482       90.96390 167.0572 7.841233 170.2940 5.464194 -3.236816      9.557320 
1 1 1 14  17 19 o 114.0975 3.166920 639.7091       35.33453 535.1000       71.17727 673.9203       40.70439 103.4913 7.068810 117.0500 3.556869 -13.55865      7.913242 
1 1 1 14  17 20 o 52.35155 3.447273 135.2892       17.56661 131.4000       45.36613 135.9752       19.05297 50.21849 9.578594 52.44575 3.735934 -2.227261      10.28137 
1 1 1 14  17 21 o 68.62152 3.123093 231.8406       20.92240 225.7000       49.87640 233.1519       23.04833 66.67992 7.788276 68.77299 3.434724 -2.093079      8.512025 
1 1 1 14  17 22 o 51.41364 3.434905 130.6231       17.18703 146.0000       43.22832 127.7360       18.73115 53.13555 8.605526 50.78555 3.795513 2.349998       9.405371 
1 1 1 14  17 23 o 26.89803 5.420568 37.16667       13.77791 83.00000       38.59694 30.47337       14.74968 39.47793 9.983572 24.26527 6.190776 15.21266       11.74723 
1 1 1 14  17 24 o 75.59676 3.088893 281.5966       22.80849 351.3000       52.28179 265.2121       25.34783 83.56022 6.441812 73.28146 3.544297 10.27876       7.352481 
1 1 1 14  17 25 o 153.0421 4.104239 1158.605       61.42677 1133.000       107.4962 1171.020       74.85142 149.5911 7.364070 153.4724 4.989316 -3.881287      8.895101 
1 1 1 14  17 26 o 39.54807 4.668803 78.67671       17.72529 136.2000       41.38011 65.75013       19.61605 50.91872 8.609034 35.83337 5.789999 15.08535       10.37495 
1 1 1 14  17 27 o 80.05611 3.155256 316.3766       24.67652 392.8000       54.31799 296.5020       27.69997 88.12183 6.339662 77.37940 3.667630 10.74243       7.324126 
1 1 1 14  17 28 o 79.63232 4.620391 316.4371       35.85958 0.000000       0.000000 316.4371       35.85958 ?        ?        79.63232 4.620391 ?              ?        
1 1 1 14  17 29 o 43.82981 5.061261 97.18777       21.31533 111.0000       39.71107 91.59776       25.26308 45.35121 9.259294 42.15593 6.316686 3.195282       11.20870 
1 1 1 14  17 30 o 70.70351 3.392879 247.6875       23.41241 240.5000       47.38559 250.0087       26.92893 68.23259 7.203538 70.89764 3.895411 -2.665047      8.189334 
1 1 1 14  17 31 o 73.83398 3.358336 270.1171       24.20739 249.8000       48.40357 276.8936       27.95445 69.47047 7.223566 74.61646 3.840375 -5.145988      8.180977 
1 1 1 14  17 32 o 111.4001 3.345186 614.6670       36.43509 580.5000       69.74543 627.4910       42.72910 106.3476 6.734698 112.3220 3.892329 -5.974335      7.778585 
1 1 1 14  17 33 o 49.70098 4.193870 123.9638       20.21242 120.2000       41.82599 125.1106       23.08718 46.72654 9.469563 49.74340 4.801241 -3.016861      10.61718 
1 1 1 14  17 34 o 44.32668 4.392014 99.22662       18.80586 111.9954       26.99291 87.18302       26.21515 46.50039 6.075608 40.64420 6.831519 5.856194       9.142356 
1 1 1 14  17 35 o 29.75243 6.207325 46.98232       17.49170 54.06847       25.48647 40.67246       24.04997 31.31893 8.213823 27.36466 8.276316 3.954268       11.66037 
1 1 1 14  17 36 o 46.48018 4.299137 109.3895       19.33780 101.9988       27.39125 116.7335       27.30453 43.91502 6.574159 47.29381 6.035611 -3.378792      8.924582 
1 1 1 14  17 37 o 22.89716 7.027094 28.03838       17.25366 10.83388       24.29854 45.53431       24.50347 19.50990 7.990065 28.55077 8.284262 -9.040876      11.50957 
1 1 1 14  17 38 o 81.52554 3.400169 332.1008       27.07360 301.0608       36.56800 369.7545       40.27570 76.77592 4.891413 85.14027 4.852932 -8.364349      6.890346 
1 1 1 14  17 39 o 29.62460 6.219329 47.32745       17.45905 42.79414       23.96494 52.45486       25.48692 27.58728 8.243313 30.38277 8.324999 -2.795496      11.71571 
1 1 1 14  17 40 o 65.40877 3.924294 216.0211       25.00932 213.3229       31.65868 220.5000       40.78834 64.34674 5.067298 64.36334 6.566150 -0.1660156E-01 8.294085 
1 1 1 14  17 41 o 21.29578 7.037241 23.91338       17.04834 28.73952       24.50016 19.38288       23.73790 23.51620 8.409396 21.06224 8.128677 2.453959       11.69587 
1 1 1 14  17 42 o 19.54728 7.790008 14.40542       22.40435 4.649376       25.20951 51.07000       48.87098 18.31401 7.854681 29.87193 11.62628 -11.55792      14.03091 
1 1 1 14  17 43 o 49.96542 4.430567 128.1154       21.44441 144.0174       31.09904 113.7000       29.60971 51.86523 6.251771 45.64321 6.837778 6.222015       9.264979 
1 1 1 14  17 44 o 47.88876 5.857402 122.2603       26.88562 127.9183       31.00266 105.1000       53.99221 48.39396 6.726459 38.80319 12.50423 9.590767       14.19862 
1 1 1 14  17 45 o 12.69681 5.880200 -11.34656      17.32535 -8.268693      27.02036 -13.49544      22.57736 16.65747 7.575224 14.47427 6.706575 2.183202       10.11742 
1 1 1 14  17 46 o 41.03772 5.239454 89.06273       20.56693 106.9615       30.40285 73.96071       27.92671 43.54278 7.397729 35.50654 8.200703 8.036240       11.04436 
1 1 1 14  17 47 f 23.50429 7.375717 31.21670       18.88955 45.97047       29.98820 21.51238       24.32100 27.61353 9.337169 21.27238 8.223057 6.341152       12.44192 
1 1 1 14  17 48 o 18.57812 7.177095 15.16638       18.51885 -12.83949      29.14376 34.13228       23.98324 16.62842 7.674640 24.42853 8.348814 -7.800112      11.34032 
1 1 1 14  17 49 o 32.66373 6.516452 59.39553       20.10376 73.28057       30.81656 49.10807       26.52556 34.60720 9.010371 28.52060 8.705407 6.086599       12.52880 
1 1 1 14  17 50 o 44.25808 6.851804 109.2397       28.72435 133.4000       53.27979 99.34000       34.10524 43.47514 12.08535 40.56359 8.840008 2.911552       14.97336 
1 1 1 14  17 51 o 46.30877 5.913470 116.1114       26.19401 116.9000       55.49965 115.8853       29.71136 39.53909 12.67150 45.52649 6.881907 -5.987392      14.41970 
1 1 1 14  17 52 o 44.13115 9.804029 123.7639       41.24960 121.8000       57.81593 125.8000       58.86984 39.56633 12.95366 40.08610 13.06786 -0.5197716     18.40017 
1 1 1 14  17 53 o 36.70225 7.244764 77.97578       25.10263 117.4000       57.22942 68.58362       27.93319 38.30973 12.89881 33.35437 8.524731 4.955357       15.46125 
1 1 1 14  17 54 o 16.67872 7.274652 3.271184       22.36216 -11.81000      53.72808 6.431102       24.59357 21.37470 10.04772 17.82725 7.703009 3.547447       12.66069 
1 1 1 14  18 0  o 109.6600 3.695569 590.5344       39.61091 634.3000       82.49961 577.4224       45.15634 113.0764 7.496044 108.3731 4.265206 4.703377       8.624537 
1 1 1 14  18 1  o 116.8121 4.765247 671.4389       54.37093 659.9000       85.09354 679.4000       70.68098 115.3254 7.580187 117.2892 6.178353 -1.963821      9.779125 
1 1 1 14  18 2  o 138.7362 3.978533 945.2844       53.97223 960.8000       104.4230 939.6285       63.04659 139.2169 7.692890 138.2303 4.666327 0.9866180      8.997509 
1 1 1 14  18 3  o 239.6723 5.638205 2826.438       132.2711 2449.000       215.0885 3055.987       167.7381 221.6402 9.939598 248.7927 6.894564 -27.15251      12.09672 
1 1 1 14  18 4  o 75.99016 4.748063 284.7918       35.14021 220.4000       56.42070 325.6000       44.91558 66.08157 8.952788 81.14519 5.691025 -15.06361      10.60850 
1 1 1 14  18 5  o 81.86153 3.328596 329.1377       26.61586 269.5160       43.79762 364.0487       33.51423 73.72157 6.124719 86.03674 3.990466 -12.31518      7.309993 
1 1 1 14  18 6  o 23.19565 9.569050 8.205870       35.18197 8.205870       35.18197 0.000000       0.000000 23.19565 9.569050 ?        ?        ?              ?        
1 1 1 14  18 7  o 81.80470 4.030113 329.2574       32.17087 263.2506       44.89874 398.9000       46.11874 72.80611 6.364200 89.90619 5.263632 -17.10007      8.258865 
1 1 1 14  18 8  o 353.3737 6.829619 6164.450       236.2310 6221.380       337.8725 6110.005       330.4145 353.2822 9.780094 350.1883 9.648623 3.093872       13.73849 
1 1 1 14  18 9  f 138.5609 3.486700 942.4434       47.25157 854.1317       68.34343 1023.315       65.40126 131.6401 5.314913 144.2245 4.638806 -12.58434      7.054561 
1 1 1 14  18 10 o 27.97372 5.859737 39.99209       15.53007 33.46835       30.61558 42.25232       18.02065 27.22451 9.427896 28.69429 6.559455 -1.469780      11.48528 
1 1 1 14  18 11 o 170.6207 4.380028 1431.447       73.08960 1507.000       136.9326 1401.345       86.43172 174.1102 8.056669 168.6453 5.242282 5.464874       9.612047 
1 1 1 14  18 12 o 8.920962 4.332995 -20.67972      11.91777 -128.9000      47.06062 -13.26373      12.31935 15.15084 7.579074 10.22902 4.809313 4.921816       8.976183 
1 1 1 14  18 13 o 143.9166 3.459343 1016.523       48.73160 908.7000       98.64941 1051.328       56.04755 135.1755 7.484954 146.2497 3.918744 -11.07422      8.448733 
1 1 1 14  18 14 o 97.00514 3.046184 462.0625       28.88807 392.5000       65.54208 478.8343       32.18270 88.59455 7.632334 98.71967 3.335314 -10.12511      8.329276 
1 1 1 14  18 15 o 17.62444 5.839149 14.58160       11.73528 -63.46000      44.64811 20.37317       12.16293 18.08492 8.684761 20.10893 5.837118 -2.024014      10.46408 
1 1 1 14  18 16 o 82.66025 3.320489 336.0264       26.81145 0.000000       0.000000 336.0264       26.81145 ?        ?        82.66025 3.320489 ?              ?        
1 1 1 14  18 17 f 125.6193 4.380584 777.9565       53.78107 0.000000       0.000000 777.9565       53.78107 ?        ?        125.6193 4.380584 ?              ?        
1 1 1 14  18 18 o 55.77423 3.317836 153.3638       18.03132 108.7000       47.77422 160.7832       19.47145 45.33105 10.90117 57.08889 3.501343 -11.75784      11.44967 
1 1 1 14  18 19 o 105.0619 3.133801 542.7355       32.19120 453.5000       68.20299 568.3130       36.51438 94.99702 7.392946 107.4542 3.476211 -12.45718      8.169437 
1 1 1 14  18 20 f 96.40714 3.115299 457.2253       29.35923 392.6000       63.33747 474.9111       33.13391 88.25535 7.399920 98.19888 3.452520 -9.943527      8.165704 
1 1 1 14  18 21 o 148.2602 3.520770 1081.991       51.09383 1133.000       107.9893 1067.279       57.99604 150.0976 7.372782 147.0634 4.032717 3.034256       8.403613 
1 1 1 14  18 22 o 54.58170 3.467288 147.2802       18.42860 93.45000       46.02264 157.5595       20.11132 41.66034 11.09046 56.43007 3.660783 -14.76974      11.67903 
1 1 1 14  18 23 o 103.5928 3.131761 528.5392       31.71943 564.0000       69.34120 519.1554       35.67025 105.8338 6.728454 102.5743 3.558110 3.259476       7.611322 
1 1 1 14  18 24 o 118.9789 3.678100 699.1924       42.78363 740.2000       81.35497 683.5159       50.30093 121.0548 6.894379 117.4109 4.384551 3.643982       8.170480 
1 1 1 14  18 25 o 48.13818 3.997023 115.3999       18.66383 105.8000       44.77699 117.4185       20.53249 44.06094 10.52676 48.47874 4.373968 -4.417793      11.39931 
1 1 1 14  18 26 o 52.24773 3.665234 135.5431       18.62566 204.8000       47.28603 122.8244       20.26386 62.87984 7.853480 49.60660 4.213089 13.27324       8.912197 
1 1 1 14  18 27 o 39.56310 5.424605 79.69743       20.45448 85.15000       42.22697 78.02583       23.38055 39.31252 10.69283 38.86475 6.366220 0.4477692      12.44450 
1 1 1 14  18 28 o 60.67234 3.514659 182.6024       20.78343 147.4000       46.68800 191.3022       23.20996 52.32066 9.464774 62.02583 3.841779 -9.705177      10.21476 
1 1 1 14  18 29 o 58.34332 3.593101 169.1149       20.41995 180.3000       45.47599 166.2902       22.85343 58.53443 8.158538 57.73057 4.070354 0.8038597      9.117539 
1 1 1 14  18 30 f 27.28934 6.500940 39.31036       17.11627 -23.24000      39.49398 53.77599       18.99261 19.53303 8.985887 32.06328 6.276369 -12.53025      10.96079 
1 1 1 14  18 31 o 32.47992 5.822954 54.82826       17.83242 56.71000       41.33685 54.39799       19.76627 32.50056 10.96252 32.14463 6.505735 0.3559341      12.74761 
1 1 1 14  18 32 o 57.48809 3.923087 165.1093       21.94329 174.6000       46.00436 162.3141       24.96640 57.11169 8.487016 56.80625 4.527514 0.3054466      9.619138 
1 1 1 14  18 33 o 27.23295 6.723575 39.63006       17.81367 28.75000       39.18232 42.46482       20.00013 26.46698 10.37844 28.09184 7.231016 -1.624863      12.64909 
1 1 1 14  18 34 o 42.56241 4.624012 92.07205       18.95500 97.26083       27.05248 87.06786       26.56695 42.95676 6.648396 40.46504 6.958226 2.491714       9.623828 
1 1 1 14  18 35 o 31.04670 6.113720 51.16461       17.91773 54.59291       25.66476 47.90476       25.02629 31.33890 8.253766 29.39265 8.323246 1.946253       11.72182 
1 1 1 14  18 36 o 19.02865 7.020018 16.19277       17.25540 11.96970       25.20806 19.91627       23.67013 19.98486 8.155906 21.40717 8.153383 -1.422314      11.53241 
1 1 1 14  18 37 o 45.26523 5.789849 107.2696       25.06646 67.89000       46.33006 123.5679       29.80567 33.57298 11.59918 48.25320 6.473719 -14.68022      13.28345 
1 1 1 14  18 38 o 48.53564 4.279651 119.8587       20.12372 116.8618       26.92358 123.6524       30.29172 47.09447 5.974884 48.09459 6.609192 -1.000122      8.909582 
1 1 1 14  18 39 o 15.04216 6.494102 0.6301829      17.45079 -0.3414041     21.92412 2.310000       28.82785 16.48365 7.196060 19.03970 8.282653 -2.556053      10.97204 
1 1 1 14  18 40 o 41.68317 4.862641 89.89135       19.46767 78.87566       26.87486 102.0534       28.23864 37.63834 7.557520 43.35497 6.884069 -5.716625      10.22284 
1 1 1 14  18 41 o 30.97286 7.577073 54.20662       22.77942 48.81769       25.80496 73.23000       48.48370 29.03820 8.522943 33.76695 11.85319 -4.728745      14.59927 
1 1 1 14  18 42 o 75.34525 3.617998 286.1789       26.60477 254.4011       36.77858 321.0594       38.53230 69.76994 5.428110 78.76996 5.023743 -9.000015      7.396105 
1 1 1 14  18 43 o 34.59556 5.997641 64.63519       19.57414 38.09684       28.93361 87.03155       26.57996 25.93428 9.152284 39.56763 7.124900 -13.63335      11.59864 
1 1 1 14  18 44 f 14.34786 6.329397 -1.822578      17.36623 -2.996722      27.12762 -1.007271      22.60537 17.42346 7.785089 16.35603 7.218035 1.067430       10.61639 
1 1 1 14  18 45 o 19.86183 8.072020 14.89261       24.56953 24.89300       28.07899 -17.78000      50.75338 22.59493 8.807353 21.18126 9.895057 1.413673       13.24695 
1 1 1 14  18 46 o 56.82632 4.170452 165.5538       23.03581 169.4447       33.43155 162.0365       31.78584 56.01020 6.201720 54.91463 6.011546 1.095573       8.637130 
1 1 1 14  18 47 o 44.08805 4.971638 102.1141       21.08120 80.56468       31.08669 120.4620       28.68462 36.54705 8.796545 46.92478 6.412719 -10.37773      10.88587 
1 1 1 14  18 48 o 42.98544 5.079192 97.49883       20.95857 122.2498       31.53022 77.90559       28.05330 46.68280 7.125676 36.42462 8.079885 10.25818       10.77311 
1 1 1 14  18 49 o 20.84823 7.631526 22.44919       20.32828 32.74514       29.24980 12.83000       28.27217 24.31409 9.107091 20.14302 8.464372 4.171072       12.43321 
1 1 1 14  18 50 o 16.01676 6.835384 4.254963       18.91956 26.08271       29.87786 -10.35641      24.44503 22.85677 9.032126 15.41090 7.082235 7.445868       11.47769 
1 1 1 14  18 51 o 22.81908 8.756521 27.49520       27.43605 24.24790       31.84388 36.85000       54.04823 22.68855 9.201073 26.75218 11.48784 -4.063635      14.71836 
1 1 1 14  18 52 o 29.81857 7.347147 52.10685       21.30301 24.43796       33.50983 70.87357       27.59756 22.76170 9.359165 34.15077 8.331152 -11.38907      12.53005 
1 1 1 14  18 53 o 24.03734 7.663111 34.32869       20.31805 82.81195       33.57230 6.307304       25.52290 35.68326 9.459883 18.02435 7.817556 17.65891       12.27207 
1 1 1 14  19 0  o 214.0905 5.156291 2254.080       108.0541 2293.000       195.3915 2236.934       129.6899 214.5674 9.325541 212.9503 6.228575 1.617142       11.21431 
1 1 1 14  19 1  o 184.4685 4.656330 1673.065       84.00880 1583.000       148.8676 1715.148       101.7602 178.4616 8.546993 186.5907 5.577886 -8.129089      10.20607 
1 1 1 14  19 2  o 109.6391 5.263632 592.6655       56.32315 592.6655       56.32315 0.000000       0.000000 109.6391 5.263632 ?        ?        ?              ?        
1 1 1 14  19 3  o 66.74207 4.774509 220.0475       30.98535 190.8000       49.25683 239.2000       39.85975 61.48624 8.404027 69.43510 5.921189 -7.948864      10.28047 
1 1 1 14  19 4  o 191.4626 4.139262 1799.997       77.57344 1763.035       111.3432 1834.861       108.1378 189.0461 6.024831 192.9341 5.732504 -3.887970      8.316260 
1 1 1 14  19 5  o 99.21317 3.806461 483.8196       36.89696 449.7215       48.23759 531.9000       57.28021 95.46914 5.181400 103.7723 5.660627 -8.303169      7.673956 
1 1 1 14  19 6  f 133.3039 4.033777 873.3314       52.57278 780.3660       64.28879 1061.000       91.34201 125.8191 5.231555 146.5006 6.385121 -20.68147      8.254631 
1 1 1 14  19 7  o 52.11063 4.961393 134.7658       25.00173 156.0339       34.95945 112.5000       35.77005 55.85123 6.517116 46.99288 8.066888 8.858345       10.37051 
1 1 1 14  19 8  o 195.2375 4.194431 1872.538       80.15718 1779.460       112.7737 1967.575       113.9543 189.8386 6.076825 199.6980 5.836023 -9.859360      8.425377 
1 1 1 14  19 9  f 52.29658 3.695591 134.9199       18.79565 95.06813       33.24403 153.6443       22.78736 43.06958 8.184770 55.76422 4.205767 -12.69464      9.202116 
1 1 1 14  19 10 o 50.92459 3.556573 127.9065       17.61680 98.79000       51.43694 131.7758       18.75084 43.50208 11.78850 51.67297 3.732396 -8.170883      12.36526 
1 1 1 14  19 11 o 37.23096 4.297580 69.03785       15.37443 165.8000       50.66960 59.22592       16.13511 56.88464 9.430197 34.34029 4.942383 22.54435       10.64687 
1 1 1 14  19 12 o 94.07049 3.074239 434.6102       28.26920 343.8000       64.22346 456.4326       31.48317 82.76013 8.028805 96.37560 3.342436 -13.61546      8.696757 
1 1 1 14  19 13 o 76.53598 3.068817 287.8919       22.94359 199.6000       56.57141 305.2737       25.10062 62.41498 9.564122 78.79530 3.261504 -16.38032      10.10494 
1 1 1 14  19 14 o 51.66496 3.344871 131.6159       16.82446 33.50000       48.55530 145.0033       17.93558 30.38500 11.65176 54.23343 3.395682 -23.84843      12.13648 
1 1 1 14  19 15 o 76.83363 3.048712 290.2296       22.88289 209.3000       55.55498 306.7654       25.11207 63.95961 9.132868 78.97093 3.255677 -15.01133      9.695808 
1 1 1 14  19 16 f 90.30255 3.055113 400.8327       26.96546 304.2000       61.28617 424.0312       30.02830 77.54483 8.198257 92.84749 3.309402 -15.30266      8.841016 
1 1 1 14  19 17 o 90.38798 3.083646 401.7468       27.24238 370.2000       63.89399 408.7559       30.11706 85.69730 7.699020 91.13052 3.382179 -5.433220      8.409164 
1 1 1 14  19 18 o 43.98263 3.808704 95.93980       16.23557 -20.72000      48.38499 110.7415       17.23480 22.80969 10.27767 47.28512 3.754509 -24.47544      10.94198 
1 1 1 14  19 19 o 91.04569 3.085450 407.8925       27.45719 321.8000       61.52940 429.2994       30.68149 79.57993 8.007769 93.36008 3.362939 -13.78015      8.685259 
1 1 1 14  19 20 f 78.36008 3.104873 302.4004       23.76755 289.7000       58.44313 304.9171       26.01608 75.36524 8.046732 78.63944 3.387779 -3.274200      8.730804 
1 1 1 14  19 21 o 57.61695 3.352111 163.9895       18.82328 165.1000       50.93261 163.8139       20.25747 56.02802 9.634464 57.54272 3.614835 -1.514706      10.29028 
1 1 1 14  19 22 o 22.63811 6.025351 26.50316       13.58595 113.6000       46.39457 18.33388       14.20882 45.90055 10.54788 19.50972 6.423513 26.39083       12.34987 
1 1 1 14  19 23 o 95.14624 3.498147 447.0783       32.52340 488.4000       67.09769 434.3883       37.18357 98.14380 7.031137 93.63621 4.066660 4.507591       8.122476 
1 1 1 14  19 24 o 82.91416 3.134011 339.2387       25.38943 374.8000       59.80708 331.4210       28.04168 85.70790 7.195313 81.86708 3.507488 3.840820       8.004685 
1 1 1 14  19 25 o 22.22256 6.265979 25.56317       14.21480 55.14000       46.30455 22.48585       14.93600 33.07015 11.58564 21.10336 6.548908 11.96679       13.30846 
1 1 1 14  19 26 o 81.93230 3.800251 332.9662       30.39408 445.0000       62.33429 298.0218       34.81295 93.41100 6.865423 77.25436 4.624923 16.15663       8.277920 
1 1 1 14  19 27 o 79.90193 3.243357 315.7425       25.31365 314.8000       58.02051 315.9641       28.13231 77.94506 7.705492 79.83125 3.609534 -1.886192      8.509015 
1 1 1 14  19 28 o 46.33139 4.128228 107.4673       18.52583 80.03000       46.84284 112.5545       20.17030 37.81137 11.57381 47.35226 4.402182 -9.540894      12.38275 
1 1 1 14  19 29 f 42.79884 4.404952 92.18330       18.19032 124.4000       46.74340 86.43369       19.74690 47.32724 10.37684 41.26742 4.989811 6.059822       11.51421 
1 1 1 14  19 30 o 53.85868 3.945735 144.9245       20.65692 128.8000       47.95462 148.5981       22.88940 47.95486 10.50727 54.42794 4.332137 -6.473076      11.36530 
1 1 1 14  19 31 o 44.97325 4.451425 102.0011       19.33885 83.70000       45.30015 106.0798       21.38552 38.23367 11.31114 45.74852 4.849459 -7.514854      12.30687 
1 1 1 14  19 32 f 89.63732 3.347724 398.9103       29.32115 418.6000       60.00782 392.7350       33.60607 89.81738 6.877931 88.72422 3.879003 1.093163       7.896366 
1 1 1 14  19 33 o 84.69398 3.407670 356.8611       28.19218 305.2000       55.94296 374.4472       32.63982 75.87293 7.636490 86.56038 3.862046 -10.68745      8.557534 
1 1 1 14  19 34 o 39.69490 4.996356 80.95623       18.98397 81.69064       26.82797 80.21969       26.86685 38.89090 7.315917 38.49159 7.399645 0.3993111      10.40564 
1 1 1 14  19 35 o 15.07489 6.402095 2.184243       16.45624 7.666872       23.50302 -3.088563      23.04890 18.64347 7.767467 16.51606 7.288586 2.127411       10.65162 
1 1 1 14  19 36 o 62.33652 5.409537 200.6675       32.68076 0.000000       0.000000 200.6675       32.68076 ?        ?        62.33652 5.409537 ?              ?        
1 1 1 14  19 37 o 37.93492 5.107623 74.77780       18.48405 84.07939       25.94511 65.19080       26.34014 39.33869 6.994289 34.02319 8.037943 5.315495       10.65498 
1 1 1 14  19 38 o 22.08581 7.566275 25.37477       19.70069 -2.103477      24.90557 71.31000       32.20141 17.17644 7.578388 34.86265 9.275055 -17.68621      11.97742 
1 1 1 14  19 39 o 35.27570 5.674913 65.92845       18.93028 53.35979       26.06778 79.95216       27.53538 30.46462 8.447615 37.82509 7.699228 -7.360472      11.42980 
1 1 1 14  19 40 o 28.69235 7.937849 46.99081       23.04599 59.75463       26.29692 4.730000       47.85018 32.17805 8.296041 23.37874 10.39953 8.799309       13.30318 
1 1 1 14  19 41 f 18.77343 7.073035 15.81215       17.69871 22.79584       25.48750 9.308568       24.59582 22.02895 8.443253 18.95709 7.925639 3.071867       11.58034 
1 1 1 14  19 42 o 25.21731 7.137989 35.71466       18.40995 40.13368       27.27673 32.01744       24.94980 26.42967 8.905067 24.18981 8.502058 2.239866       12.31199 
1 1 1 14  19 43 o 33.67123 6.199872 61.94056       19.68104 46.66365       28.09673 76.65747       27.57694 27.97333 9.020791 36.41897 7.958772 -8.445642      12.02983 
1 1 1 14  19 44 o 15.75306 6.701279 3.876439       18.08211 14.90399       26.87941 -5.239206      24.43846 20.35170 8.376710 16.24119 7.312339 4.110512       11.11933 
1 1 1 14  19 45 o 59.01915 4.098839 178.3156       23.53169 166.2475       33.13404 190.5969       33.42555 55.44361 6.212126 59.76281 5.786319 -4.319206      8.489523 
1 1 1 14  19 46 o 17.85750 7.659472 5.695988       23.97544 12.15452       27.47387 -14.93000      49.09761 19.88569 8.349364 21.01609 9.789416 -1.130392      12.86641 
1 1 1 14  19 47 o 13.39253 6.121845 -8.192040      17.93917 -29.82433      26.76638 9.448931       24.17128 14.03457 6.735687 18.58953 7.819907 -4.554967      10.32087 
1 1 1 14  19 48 o 35.35405 6.526294 69.47822       21.75278 63.32915       29.84172 76.45000       31.77541 32.01162 9.096869 35.19992 9.141891 -3.188301      12.89679 
1 1 1 14  19 49 o 21.40503 7.441209 25.01953       19.08070 61.18155       28.95354 -2.742309      25.36877 31.44989 8.968153 16.77874 7.510474 14.67115       11.69765 
1 1 1 14  19 50 o 41.74894 7.024122 98.37271       27.68604 91.03102       31.63433 122.4000       57.22862 38.91389 8.540067 40.10418 12.86884 -1.190296      15.44473 
1 1 1 14  19 51 o 32.76514 6.609920 60.66257       20.46685 84.64034       31.78175 43.67289       26.75260 36.98235 8.889906 26.67417 8.815483 10.30818       12.51971 
1 1 1 14  19 52 o 15.71423 6.768972 3.560824       18.87633 37.53327       30.23259 -18.14452      24.16547 24.94139 9.275328 14.20558 6.696495 10.73581       11.44005 
1 1 1 14  19 53 f 29.29398 7.044636 50.31790       19.95089 49.11692       31.14698 51.15348       25.98027 27.43751 9.508965 28.47932 8.599593 -1.041805      12.82082 
1 1 1 14  20 0  o 149.8751 5.065276 1106.560       74.20177 1152.000       113.8458 1073.000       97.83823 152.2930 7.661749 147.1945 6.809088 5.098495       10.25017 
1 1 1 14  20 1  o 148.2241 3.583725 1078.199       51.99477 1037.412       75.93683 1114.199       71.34155 145.0526 5.357566 150.4308 4.851409 -5.378143      7.227703 
1 1 1 14  20 2  o 110.8833 3.599675 604.0431       39.01752 499.6000       70.83875 649.5270       46.74765 100.2139 7.271113 114.9140 4.162927 -14.70016      8.378488 
1 1 1 14  20 3  o 190.4627 5.848894 1790.251       108.9118 1774.000       157.8950 1805.000       150.4254 188.7012 8.570828 190.5307 8.084224 -1.829453      11.78193 
1 1 1 14  20 4  o 114.6087 4.680151 647.0284       52.39251 575.5000       79.27495 702.5000       69.81224 107.5002 7.582561 119.1859 6.003456 -11.68571      9.671439 
1 1 1 14  20 5  o 52.91346 6.932865 140.7929       35.04461 140.7929       35.04461 0.000000       0.000000 52.91346 6.932865 ?        ?        ?              ?        
1 1 1 14  20 6  o 161.6459 4.427951 1285.577       69.99460 1163.919       83.54752 1572.000       128.1941 153.5638 5.567472 177.9539 7.375586 -24.39018      9.240995 
1 1 1 14  20 7  o 93.28204 3.140666 427.3521       28.63559 386.2062       45.37473 454.5862       36.91540 88.38515 5.268707 96.11883 3.931975 -7.733681      6.574169 
1 1 1 14  20 8  o 83.18230 3.063202 339.8880       24.89834 315.0000       61.46717 344.7731       27.23252 79.20477 8.039671 83.75113 3.328564 -4.546364      8.701474 
1 1 1 14  20 9  o 38.19172 4.315234 72.63071       15.84949 1.119000       50.45739 80.45913       16.69448 26.10862 11.15304 40.22292 4.307256 -14.11429      11.95587 
1 1 1 14  20 10 o 152.3428 3.569503 1139.815       53.22749 986.1000       105.4213 1192.409       61.66467 140.6111 7.688795 155.6882 4.049891 -15.07707      8.690178 
1 1 1 14  20 11 o 80.68380 3.687197 320.5230       29.04286 228.8000       58.29618 350.8042       33.49559 66.99734 9.126527 84.36335 4.068269 -17.36601      9.992212 
1 1 1 14  20 12 o 44.86777 3.648991 99.57468       15.88734 7.052000       47.93626 110.9918       16.83907 26.19447 11.01534 47.38483 3.658873 -21.19036      11.60711 
1 1 1 14  20 13 o 43.92504 3.587406 95.44823       15.28984 82.11000       48.33401 96.93140       16.11753 39.67558 11.66968 44.24454 3.757122 -4.568962      12.25958 
1 1 1 14  20 14 o 66.80816 3.057579 219.6127       19.94162 141.3000       53.05611 232.4959       21.51950 51.79808 10.81417 68.72575 3.207792 -16.92766      11.27990 
1 1 1 14  20 15 o 146.6371 3.511464 1057.294       50.40090 922.0000       100.6866 1102.530       58.22016 135.5668 7.618386 149.5900 3.979702 -14.02315      8.595222 
1 1 1 14  20 16 o 43.21513 3.614611 92.52067       15.14993 79.23000       49.61736 93.88715       15.90970 38.90948 11.91197 43.51195 3.772732 -4.602463      12.49514 
1 1 1 14  20 17 o 62.49648 3.236150 192.5563       19.72916 137.1000       51.58942 202.0561       21.35223 50.78617 10.71533 63.99669 3.421059 -13.21052      11.24819 
1 1 1 14  20 18 o 113.5856 3.213885 635.0666       35.69630 611.8000       78.47905 641.1359       40.08264 110.1707 7.318987 114.0456 3.595127 -3.874992      8.154294 
1 1 1 14  20 19 o 127.0014 4.000455 796.7655       49.66864 766.5000       87.90885 810.9576       60.19785 123.2325 7.320869 127.8632 4.818446 -4.630669      8.764277 
1 1 1 14  20 20 o 57.99986 3.368365 166.2308       19.04056 144.2000       53.81619 169.3832       20.35730 51.71900 10.97094 58.51456 3.571275 -6.795555      11.53757 
1 1 1 14  20 21 o 50.50243 3.634596 126.4628       17.84679 63.41000       50.27640 135.5533       19.09001 35.29908 12.08731 52.27256 3.756047 -16.97348      12.65745 
1 1 1 14  20 22 o 75.07937 3.502402 278.7202       25.66813 263.8000       58.35747 282.2991       28.58130 71.27824 8.533785 75.47350 3.881886 -4.195251      9.375208 
1 1 1 14  20 23 o 29.61890 5.192489 44.97356       14.50542 142.8000       48.94731 35.55510       15.18765 51.43287 10.08317 26.10758 6.060099 25.32529       11.76414 
1 1 1 14  20 24 o 69.60694 3.283381 239.5913       22.30767 146.9000       54.04252 258.6284       24.49156 51.64130 11.02678 72.28212 3.471771 -20.64082      11.56041 
1 1 1 14  20 25 o 22.79839 7.076682 26.51474       17.43915 127.6000       47.43298 10.71505       18.75257 48.24190 10.35478 18.27672 7.175973 29.96518       12.59825 
1 1 1 14  20 26 o 90.61261 3.550766 406.8256       31.43225 0.000000       0.000000 406.8256       31.43225 ?        ?        90.61261 3.550766 ?              ?        
1 1 1 14  20 27 o 33.28760 5.207567 56.79616       16.41201 129.1000       47.43456 46.96352       17.49239 48.29967 10.34497 29.95138 6.171967 18.34829       12.04623 
1 1 1 14  20 28 o 38.01258 4.832783 73.36298       17.57576 200.9000       49.80460 55.22093       18.78428 61.53359 8.495387 32.53274 6.123500 29.00085       10.47229 
1 1 1 14  20 29 o 63.21848 3.535468 198.6932       21.79032 347.2000       56.81298 173.0788       23.59480 81.84089 7.164208 58.82131 4.124166 23.01958       8.266476 
1 1 1 14  20 30 o 53.11486 4.072484 141.3243       21.01146 44.71000       48.15103 164.0481       23.35205 30.63797 11.63845 57.20768 4.199538 -26.56971      12.37294 
1 1 1 14  20 31 o 49.06810 4.366280 121.3665       20.75211 120.4000       49.04029 121.5773       22.90386 45.60695 11.09331 48.94904 4.843777 -3.342083      12.10470 
1 1 1 14  20 32 o 57.63840 3.947973 166.6102       22.13919 111.0000       49.43575 180.5614       24.76102 43.24881 11.48567 59.90055 4.250715 -16.65174      12.24701 
1 1 1 14  20 33 o 53.23608 4.156621 142.9276       21.48813 111.6000       49.46453 150.2148       23.85681 43.02215 11.51790 54.44070 4.517597 -11.41855      12.37218 
1 1 1 14  20 34 o 36.51846 5.591807 69.81523       19.35275 83.33447       29.35807 59.42605       25.73607 38.78313 7.999233 32.59427 8.101706 6.188862       11.38531 
1 1 1 14  20 35 o 29.74746 8.306304 49.87953       25.10788 0.000000       0.000000 49.87953       25.10788 ?        ?        29.74746 8.306304 ?              ?        
1 1 1 14  20 36 o 28.51553 6.571700 44.31246       17.96618 19.32898       25.75758 67.98425       25.07230 21.55817 8.426131 35.01070 7.539316 -13.45253      11.30668 
1 1 1 14  20 37 o 48.14369 4.789985 119.2332       22.27337 79.06626       28.25205 185.2000       36.20581 37.52658 7.939537 59.08780 6.360034 -21.56121      10.17282 
1 1 1 14  20 38 o 17.77703 6.856148 12.69450       16.87915 6.922615       23.59656 18.74264       24.15467 18.33875 7.721090 20.99934 8.173472 -2.660593      11.24370 
1 1 1 14  20 39 o 23.84080 8.013973 30.95084       22.09144 20.29506       24.91855 70.08000       47.75079 21.43199 8.312902 33.22176 11.75454 -11.78978      14.39700 
1 1 1 14  20 40 o 24.92980 6.959516 34.61862       17.62808 44.48475       25.46501 25.54037       24.42709 27.72667 8.542089 22.54146 8.345850 5.185207       11.94238 
1 1 1 14  20 41 o 14.26896 6.308885 -2.510872      17.34757 38.93956       25.49555 -38.24438      23.67215 26.09433 8.605111 12.30166 6.004344 13.79267       10.49286 
1 1 1 14  20 42 o 19.51355 7.191067 18.46382       18.09818 21.66327       26.31774 15.59333       24.92813 21.73310 8.510589 20.16691 8.154471 1.566189       11.78667 
1 1 1 14  20 43 o 28.88858 6.796856 46.94786       18.89639 54.63953       27.45909 40.02850       26.04408 30.13213 8.777379 26.15663 8.699814 3.975492       12.35836 
1 1 1 14  20 44 f 25.44814 7.212968 37.02181       18.78600 43.93298       27.49818 30.97313       25.72519 27.11068 8.936519 23.71129 8.599248 3.399389       12.40195 
1 1 1 14  20 45 o 17.55442 7.079687 10.99813       18.73582 -27.21130      26.90502 46.97167       26.10596 14.35156 6.851372 27.96975 8.654479 -13.61819      11.03817 
1 1 1 14  20 46 o 30.46051 6.808644 52.42085       19.78936 49.36877       27.73069 55.58815       28.24927 28.47204 8.936914 30.13104 8.936856 -1.658997      12.63866 
1 1 1 14  20 47 o 30.12563 8.959303 55.75764       28.36096 55.75764       28.36096 0.000000       0.000000 30.12563 8.959303 ?        ?        ?              ?        
1 1 1 14  20 48 o 50.42632 4.638912 132.5214       22.64064 125.2724       31.72676 140.0434       32.31886 47.20534 7.084865 50.23820 6.742338 -3.032864      9.780309 
1 1 1 14  20 49 o 39.59166 7.461009 90.23397       27.85365 104.2262       31.94382 45.85000       56.89272 42.12714 8.039955 28.03280 11.90441 14.09434       14.36509 
1 1 1 14  20 50 o 21.49319 7.455764 25.61425       19.15046 23.32928       29.25870 27.32677       25.32986 22.07005 8.865947 22.47856 8.463183 -0.4085102     12.25686 
1 1 1 14  20 51 o 58.26307 4.188649 175.7680       23.72824 150.5850       33.45593 201.2570       33.65858 51.71759 6.771379 60.98314 5.704926 -9.265556      8.854250 
1 1 1 14  20 52 o 40.42039 5.386878 88.56974       20.78284 91.36139       30.74988 86.22216       28.19835 38.56129 8.386165 37.91542 7.856480 0.6458664      11.49139 
1 1 1 14  21 0  o 77.14310 3.806938 293.0049       28.65732 288.4189       40.96514 297.4000       40.10373 76.28310 5.523721 77.50259 5.318671 -1.219490      7.668100 
1 1 1 14  21 1  o 86.31798 3.779932 366.6470       31.85937 351.1923       43.46017 384.6000       46.84149 84.25236 5.296712 88.15554 5.455163 -3.903183      7.603549 
1 1 1 14  21 2  o 53.13828 6.919028 142.1250       35.13426 142.1250       35.13426 0.000000       0.000000 53.13828 6.919028 ?        ?        ?              ?        
1 1 1 14  21 3  o 91.88474 4.529177 416.3643       40.60958 399.4000       65.80257 426.8000       51.61023 89.37202 7.593868 92.82699 5.707691 -3.454964      9.499715 
1 1 1 14  21 4  o 59.81884 4.206497 176.7912       24.47300 187.3396       36.07741 167.8000       33.30829 61.27987 6.095397 57.99082 5.952357 3.289043       8.519650 
1 1 1 14  21 5  o 124.9478 3.791322 767.7090       46.31514 688.6000       86.23634 799.7779       54.90593 117.4955 7.538065 127.4278 4.408628 -9.932281      8.732608 
1 1 1 14  21 6  o 113.8250 3.824596 637.3674       42.55122 540.9000       76.94934 679.8588       51.06986 104.0335 7.609210 117.4568 4.450065 -13.42334      8.814939 
1 1 1 14  21 7  o 59.70207 4.212375 176.1921       24.45826 136.3000       54.45584 186.2730       27.37471 50.92682 11.22696 61.33858 4.592766 -10.41176      12.13005 
1 1 1 14  21 8  o 118.7055 3.796873 693.3153       44.05997 591.2000       79.42668 738.7058       52.95454 108.7461 7.507934 122.4182 4.426560 -13.67212      8.715704 
1 1 1 14  21 9  o 186.2694 4.037724 1706.769       73.61807 1593.000       146.1629 1745.441       85.21643 178.2671 8.400072 188.2184 4.625462 -9.951324      9.589375 
1 1 1 14  21 10 o 138.5263 3.410083 942.7421       46.23845 765.7000       91.83942 1002.857       53.51596 123.6874 7.622767 142.7526 3.833419 -19.06525      8.532391 
1 1 1 14  21 11 o 25.88966 5.486947 34.37655       13.47226 -28.06000      46.59933 40.07121       14.07324 21.63677 9.881351 28.02505 5.324911 -6.388277      11.22478 
1 1 1 14  21 12 o 22.82445 5.739380 26.80437       12.80767 -13.35000      44.86745 30.36662       13.36371 22.71573 10.08939 24.28450 5.717382 -1.568762      11.59674 
1 1 1 14  21 13 f 16.85357 5.856388 12.66987       11.81799 -36.17000      45.03004 16.28272       12.24730 20.34767 9.442988 18.38923 5.957919 1.958447       11.16543 
1 1 1 14  21 14 o 130.1030 3.341654 832.8629       42.52021 714.0000       87.43749 869.6776       48.66149 119.1449 7.536106 132.8590 3.745605 -13.71406      8.415607 
1 1 1 14  21 15 o 94.15987 3.065619 436.2238       28.21701 359.0000       64.81806 454.2803       31.34274 84.09999 7.969045 96.04401 3.339039 -11.94402      8.640305 
1 1 1 14  21 16 o 65.78712 3.167962 213.3318       20.33990 86.90000       52.84380 235.3207       22.03778 40.37318 12.28007 69.08655 3.268143 -28.71337      12.70751 
1 1 1 14  21 17 o 37.51425 3.999567 70.21624       14.46018 48.71000       48.71141 72.29456       15.14277 32.59850 11.83151 38.04740 4.132355 -5.448902      12.53240 
1 1 1 14  21 18 o 35.78113 4.149956 64.08170       14.26538 66.14000       49.11441 63.89206       14.90807 35.86546 11.94751 35.68698 4.358119 0.1784782      12.71756 
1 1 1 14  21 19 o 60.96695 3.285431 183.6060       19.53376 100.6000       53.60232 196.3174       20.97619 42.81154 12.20052 63.02540 3.412936 -20.21386      12.66889 
1 1 1 14  21 20 o 84.20155 3.519609 350.3729       28.94423 260.6000       62.18790 375.1978       32.70226 70.55408 9.225663 87.05767 3.847143 -16.50359      9.995667 
1 1 1 14  21 21 o 37.49353 4.702671 70.91062       16.88002 50.40000       50.08436 73.53899       17.92899 32.65485 11.97464 38.14095 4.916651 -5.486092      12.94471 
1 1 1 14  21 22 o 72.28474 3.220304 258.1970       22.72784 315.7000       62.46141 249.4217       24.40050 77.96132 8.313247 70.97609 3.523223 6.985229       9.029018 
1 1 1 14  21 23 o 126.0273 3.960209 787.7161       48.79211 893.0000       94.18861 749.1007       57.04243 132.1382 7.310712 122.5347 4.764981 9.603470       8.726486 
1 1 1 14  21 24 o 27.16936 6.637079 38.89281       17.49704 45.78000       49.18868 37.89512       18.72152 31.44403 11.80328 26.78691 7.046826 4.657122       13.74683 
1 1 1 14  21 25 o 27.08301 5.971154 38.38765       15.40269 57.95000       48.59507 36.20285       16.24005 33.47902 11.85683 26.22404 6.386943 7.254982       13.46765 
1 1 1 14  21 26 o 46.55022 3.986616 108.3747       17.99016 179.3000       52.07782 98.76405       19.17032 57.53082 9.585031 44.29527 4.483117 13.23555       10.58164 
1 1 1 14  21 27 o 47.17648 4.087527 111.4795       18.68917 163.8000       51.74188 103.6293       20.04226 54.58868 10.05387 45.33915 4.578812 9.249538       11.04743 
1 1 1 14  21 28 o 44.73509 4.300704 100.7006       18.60014 77.64000       48.66867 104.6449       20.12810 36.95245 11.86842 45.52889 4.578682 -8.576443      12.72100 
1 1 1 14  21 29 o 80.36776 3.360369 320.5702       26.37642 236.7000       55.84840 344.6485       29.92405 66.34004 8.818840 83.22125 3.682619 -16.88121      9.556863 
1 1 1 14  21 30 o 61.63747 3.736654 189.7256       22.43825 182.7000       51.50770 191.3712       24.92789 57.54316 9.474194 61.76326 4.147380 -4.220100      10.34220 
1 1 1 14  21 31 o 62.39449 3.702420 194.6271       22.51029 162.1000       50.71557 202.6072       25.12031 53.50732 10.05226 63.53095 4.060814 -10.02363      10.84151 
1 1 1 14  21 32 f 66.85779 3.747783 223.8768       24.42816 188.8000       52.15601 233.7338       27.64824 57.94143 9.527042 68.13711 4.165410 -10.19568      10.39784 
1 1 1 14  21 33 o 19.21930 7.544348 13.78166       20.72327 -39.38000      44.33303 28.64561       23.44203 18.80847 8.926599 23.61732 8.245541 -4.808846      12.15208 
1 1 1 14  21 34 o 89.80933 3.818329 405.0696       33.48951 422.1000       55.17564 395.1360       42.13944 89.73127 6.322465 87.96969 4.913360 1.761581       8.007164 
1 1 1 14  21 35 o 65.73956 3.760437 217.4809       24.09660 205.9445       32.73326 231.1287       35.60278 63.08958 5.351034 66.75972 5.496986 -3.670139      7.671403 
1 1 1 14  21 36 o 54.24033 4.336741 149.8513       22.83294 123.8251       29.15973 191.1000       36.70987 48.22139 6.330597 60.02727 6.343666 -11.80589      8.962062 
1 1 1 14  21 37 o 23.15813 6.961204 29.30395       17.05176 34.41607       24.20700 24.26897       24.02370 25.02257 8.388701 22.30238 8.273073 2.720184       11.78194 
1 1 1 14  21 38 o 19.84769 7.599757 17.24865       20.63581 11.30355       22.98988 41.90000       46.81419 19.00858 7.776856 28.26686 11.26202 -9.258282      13.68622 
1 1 1 14  21 39 o 19.56838 7.114228 18.55227       17.62195 7.233346       24.94736 29.82385       24.89514 18.66043 7.901896 23.68512 8.476091 -5.024685      11.58810 
1 1 1 14  21 40 o 39.01540 5.105402 79.82582       19.02988 70.79859       26.99566 88.74244       26.82975 35.07684 8.035541 40.00465 7.112361 -4.927811      10.73106 
1 1 1 14  21 41 o 30.70507 6.385988 51.98540       18.56684 41.01067       26.85991 62.02792       25.69382 26.51939 8.835412 32.62030 8.087429 -6.100908      11.97794 
1 1 1 14  21 42 o 30.77254 6.316043 52.29906       18.38656 49.94724       26.65098 54.43514       25.39921 28.86736 8.708393 30.30267 8.313716 -1.435305      12.03968 
1 1 1 14  21 43 o 22.12340 7.252909 27.17164       18.12267 33.90618       25.84368 20.65599       25.42021 24.43704 8.647428 21.21236 8.346919 3.224678       12.01870 
1 1 1 14  21 44 o 43.81776 4.789503 100.3683       20.20803 102.6062       28.25301 98.02437       28.91543 42.87420 6.971575 41.59595 7.371700 1.278240       10.14617 
1 1 1 14  21 45 o 18.79143 7.140238 16.36459       18.12647 -12.01290      25.13119 47.13595       26.16974 15.45938 7.132106 27.95706 8.667475 -12.49769      11.22462 
1 1 1 14  21 46 o 24.81810 7.651149 35.69806       20.42590 28.61652       26.16853 46.74000       32.67669 23.05413 8.618362 27.56062 9.726284 -4.506493      12.99526 
1 1 1 14  21 47 o 24.87211 7.455472 35.79086       19.57959 38.15663       27.01686 33.17380       28.41550 25.43850 8.853831 24.28195 8.999385 1.156549       12.62455 
1 1 1 14  21 48 o 33.78999 7.978014 67.73396       25.96142 61.70838       29.13376 90.97000       57.21082 31.48340 9.001967 34.43425 12.76812 -2.950844      15.62243 
1 1 1 14  21 49 o 13.07401 6.047669 -10.65394      18.24525 -3.190065      26.40294 -17.47565      25.24158 16.94732 7.617919 14.73432 6.913813 2.212997       10.28754 
1 1 1 14  21 50 o 12.46528 5.845677 -13.89590      17.99949 -19.69611      26.30174 -8.786720      24.68532 14.76076 6.966741 15.57210 7.141761 -0.8113337     9.976985 
1 1 1 14  21 51 o 18.03477 7.080856 14.52191       18.25847 26.91732       27.35137 4.558029       24.52240 22.30171 8.692650 17.44899 7.614141 4.852713       11.55583 
1 1 1 14  22 0  o 42.21798 4.134136 88.50636       16.86520 64.35168       33.29438 96.84345       19.56039 35.18584 9.462662 44.10852 4.597957 -8.922676      10.52061 
1 1 1 14  22 1  o 75.89452 5.495381 285.9303       40.54739 285.9303       40.54739 0.000000       0.000000 75.89452 5.495381 ?        ?        ?              ?        
1 1 1 14  22 2  o 117.1253 5.057855 677.8945       57.84935 677.8945       57.84935 0.000000       0.000000 117.1253 5.057855 ?        ?        ?              ?        
1 1 1 14  22 3  o 72.46389 4.396378 259.4724       31.03665 240.1000       50.14758 271.5000       39.51373 69.04439 7.542749 73.93503 5.499368 -4.890640      9.334672 
1 1 1 14  22 4  o 66.99653 3.929501 221.4993       25.65576 237.3000       57.39871 217.5544       28.68018 68.28036 8.791993 66.31872 4.443787 1.961639       9.851213 
1 1 1 14  22 5  o 151.3337 4.231441 1128.246       62.61864 1309.000       121.5191 1062.898       73.06634 161.8190 7.694045 146.6643 5.097384 15.15469       9.229390 
1 1 1 14  22 6  o 17.03447 6.187514 11.85265       13.32598 52.45000       46.73036 8.259013       13.90327 33.46355 11.64446 16.06125 6.214955 17.40230       13.19921 
1 1 1 14  22 7  o 106.0494 4.489187 555.2121       46.49419 539.8000       74.60270 565.0000       59.45219 103.8008 7.390915 106.6985 5.713336 -2.897774      9.341725 
1 1 1 14  22 8  o 128.4552 3.332647 811.3401       41.86782 706.7000       87.87241 842.0715       47.62061 118.7074 7.602518 130.7920 3.723487 -12.08459      8.465379 
1 1 1 14  22 9  o 19.05002 6.158795 17.50959       13.09131 -69.36000      46.37549 25.03139       13.64632 18.10038 8.732377 22.12110 6.103681 -4.020712      10.65408 
1 1 1 14  22 10 o 17.24135 6.110815 12.85463       12.90993 -76.30000      45.34651 20.71807       13.46723 17.32471 8.423323 20.36772 6.200146 -3.043013      10.45917 
1 1 1 14  22 11 o 166.8981 3.767395 1371.370       61.54585 1252.000       123.3348 1410.951       71.02043 157.6451 8.019144 169.0868 4.294563 -11.44173      9.096700 
1 1 1 14  22 12 o 95.98918 3.089850 453.3245       28.99344 374.1000       66.35929 472.0162       32.23276 85.87827 7.985782 97.90205 3.368580 -12.02377      8.667182 
1 1 1 14  22 13 o 60.70083 3.196061 181.6922       18.92269 172.8000       55.59014 182.8576       20.12449 57.25298 10.29818 60.86711 3.391223 -3.614128      10.84218 
1 1 1 14  22 14 o 59.41888 3.282440 174.2445       19.01677 40.63000       53.23705 193.7871       20.36003 31.91055 12.20963 62.66438 3.331309 -30.75383      12.65594 
1 1 1 14  22 15 o 64.60146 3.121236 205.7833       19.67833 124.6000       54.74608 217.8286       21.08772 47.82686 11.77439 66.44868 3.252056 -18.62182      12.21524 
1 1 1 14  22 16 o 62.60411 3.172051 193.3913       19.37455 154.3000       55.01643 198.9256       20.70063 53.56958 10.86434 63.46730 3.343970 -9.897724      11.36732 
1 1 1 14  22 17 o 12.39721 5.277237 0.1854849      11.22665 1.800000       48.94745 0.9583446E-01  11.53414 25.28652 10.89624 12.53743 5.343367 12.74909       12.13588 
1 1 1 14  22 18 o 57.29707 3.365404 162.3943       18.79140 110.9000       55.56567 169.0442       19.96791 44.68404 12.31152 58.43606 3.507104 -13.75202      12.80130 
1 1 1 14  22 19 o 108.0855 3.666685 577.8008       38.73629 438.9000       74.46062 629.3405       45.35711 92.14973 8.345569 112.6552 4.120215 -20.50551      9.307239 
1 1 1 14  22 20 o 20.01405 6.256685 20.09180       13.60570 8.263000       51.74263 20.97042       14.10195 26.49244 11.30495 20.42145 6.367599 6.070992       12.97491 
1 1 1 14  22 21 o 139.2865 3.515306 959.2459       47.88850 931.1000       101.5308 967.2990       54.30903 134.6301 7.737173 139.6724 3.976468 -5.042328      8.699203 
1 1 1 14  22 22 o 67.19016 3.899884 224.4279       25.53836 335.2000       62.05418 201.8404       28.02141 80.34241 7.996851 63.53132 4.535889 16.81108       9.193689 
1 1 1 14  22 23 o 73.23909 3.899317 266.7271       27.85285 309.8000       63.55394 256.4875       30.98718 76.72988 8.610352 71.64780 4.440300 5.082077       9.687849 
1 1 1 14  22 24 o 71.89712 3.354800 256.1434       23.54427 181.3000       58.29745 270.7300       25.73653 57.18168 10.81164 73.86048 3.570426 -16.67880      11.38594 
1 1 1 14  22 25 o 72.26118 3.381810 258.8946       23.85361 189.2000       57.82082 273.1888       26.18577 58.54867 10.47384 74.16501 3.618034 -15.61634      11.08113 
1 1 1 14  22 26 o 71.53971 3.329641 253.8064       23.25187 254.1000       57.85927 253.7498       25.39253 69.01358 8.762354 71.43966 3.643316 -2.426079      9.489605 
1 1 1 14  22 27 o 55.50301 3.734533 153.6772       20.17083 227.8000       53.83038 141.5698       21.75593 65.23817 8.642218 53.12170 4.218698 12.11647       9.616930 
1 1 1 14  22 28 o 77.24400 3.371076 296.3004       25.42685 321.3000       59.50093 290.7151       28.12414 78.00870 7.901304 76.37155 3.773885 1.637146       8.756301 
1 1 1 14  22 29 o 43.85701 4.494749 97.42731       19.02258 107.4000       49.45908 95.69597       20.60777 42.62558 11.56329 43.30817 4.950140 -0.6825943     12.57830 
1 1 1 14  22 30 o 51.64713 4.198788 134.4807       21.04345 140.9000       51.85280 133.2149       23.02477 49.00975 11.07111 51.23752 4.641222 -2.227772      12.00460 
1 1 1 14  22 31 o 23.68097 7.312355 29.95567       18.64808 16.47000       47.90126 32.36459       20.24522 25.60324 10.89981 24.54545 7.625741 1.057795       13.30255 
1 1 1 14  22 32 o 57.20314 4.195035 165.5600       23.32550 72.61000       53.45752 187.4184       25.92347 34.53069 12.41298 60.78904 4.386234 -26.25835      13.16515 
1 1 1 14  22 33 o 47.46351 5.566616 117.3694       25.37083 56.88000       49.44397 138.9880       29.55887 31.53508 11.83463 51.46713 5.978611 -19.93205      13.25904 
1 1 1 14  22 34 o 13.59842 6.167709 -7.816741      17.76657 -7.744643      23.94800 -7.905000      26.49624 15.99821 7.217573 16.83393 7.593487 -0.8357191     10.47637 
1 1 1 14  22 35 o 14.59021 6.315058 0.1515396      16.58552 -18.37016      23.12952 19.75537       23.79560 14.22598 6.656919 21.19221 8.149090 -6.966226      10.52246 
1 1 1 14  22 36 o 18.01962 6.837039 13.83216       16.60506 2.576377       22.60525 27.02359       24.47187 17.19660 7.407476 23.05009 8.383136 -5.853497      11.18694 
1 1 1 14  22 37 o 15.11855 6.744857 -4.377745      20.28040 -6.135435      22.51327 3.188000       46.70822 15.64334 7.032883 22.99762 10.24954 -7.354283      12.43039 
1 1 1 14  22 38 o 44.31450 4.537189 101.1988       19.40308 88.77805       26.00483 116.7978       29.14269 40.23487 6.848152 46.42269 6.599149 -6.187817      9.510307 
1 1 1 14  22 39 o 33.63250 5.714817 60.62442       18.14093 64.68748       24.93329 56.05422       26.44357 33.65363 7.731793 30.89319 8.485781 2.760437       11.47994 
1 1 1 14  22 40 o 17.78138 6.902440 13.06103       17.19048 2.092013       24.29307 24.06249       24.32898 17.42620 7.591740 21.98656 8.290727 -4.560356      11.24147 
1 1 1 14  22 41 o 48.37654 4.358218 120.7471       20.41613 93.46638       28.03065 151.5715       29.79564 40.69028 7.306288 53.22978 5.813003 -12.53950      9.336640 
1 1 1 14  22 42 o 42.60505 4.848456 95.16366       19.86021 81.86427       27.13444 110.5086       29.14656 37.73373 7.609512 44.53283 6.910365 -6.799103      10.27900 
1 1 1 14  22 43 o 41.38453 5.618792 91.76115       22.17342 81.43000       35.17146 98.57576       28.56518 35.95092 9.750460 41.79307 7.245203 -5.842148      12.14761 
1 1 1 14  22 44 o 21.89108 7.502658 26.39875       19.37130 18.42000       30.16037 32.00129       25.27329 21.48696 8.861582 23.83482 8.538988 -2.347860      12.30618 
1 1 1 14  22 45 o 32.92614 7.316989 62.39257       22.97000 72.48000       33.08894 53.01000       31.91198 33.83939 9.566461 29.04420 9.629191 4.795187       13.57345 
1 1 1 14  22 46 o 17.05022 7.554593 -0.3308187     25.00330 0.000000       0.000000 -0.3308187     25.00330 ?        ?        17.05022 7.554593 ?              ?        
1 1 1 14  22 47 o 31.63733 12.52336 73.26000       57.53038 0.000000       0.000000 73.26000       57.53038 ?        ?        31.63733 12.52336 ?              ?        
1 1 1 14  22 48 f 36.88308 9.824273 87.71000       36.10097 0.000000       0.000000 87.71000       36.10097 ?        ?        36.88308 9.824273 ?              ?        
1 1 1 14  22 49 o 36.57742 12.92757 107.7000       57.74380 0.000000       0.000000 107.7000       57.74380 ?        ?        36.57742 12.92757 ?              ?        
1 1 1 14  22 50 o 18.27695 7.439023 13.13354       20.90412 14.70000       34.50659 12.22536       26.27412 21.10915 9.122717 19.22364 8.123351 1.885515       12.21527 
1 1 1 14  22 51 o 33.55645 6.806110 65.06858       21.58977 65.59000       34.86530 64.74429       27.49565 30.87378 10.05614 32.00764 8.595423 -1.133858      13.22903 
1 1 1 14  23 0  o 35.17479 6.697039 63.50294       22.21599 44.63819       32.38592 80.27000       30.53227 30.00772 9.685603 39.32522 8.198033 -9.317503      12.68931 
1 1 1 14  23 1  o 153.7422 5.242719 1169.829       78.78075 1128.000       116.5670 1205.000       106.8870 149.8741 7.974602 155.3467 7.047730 -5.472610      10.64259 
1 1 1 14  23 2  o 79.34586 3.727360 310.3892       28.86797 274.8000       62.07957 320.2082       32.60803 73.39854 8.817139 80.52401 4.151082 -7.125465      9.745430 
1 1 1 14  23 3  o 83.55726 4.221619 344.8633       34.41597 0.000000       0.000000 344.8633       34.41597 ?        ?        83.55726 4.221619 ?              ?        
1 1 1 14  23 4  f 115.2846 3.836288 654.8727       43.22983 679.3000       85.28445 646.4263       50.14999 116.3157 7.531237 114.3960 4.487424 1.919701       8.766784 
1 1 1 14  23 5  o 91.51645 3.799060 412.9460       33.95753 469.0000       71.37723 396.5473       38.60644 96.50576 7.617882 89.56064 4.417521 6.945122       8.806056 
1 1 1 14  23 6  o 100.5228 3.125285 496.9920       30.71371 416.8000       70.60290 515.7100       34.11041 90.76983 8.029199 102.3525 3.409486 -11.58266      8.723109 
1 1 1 14  23 7  o 39.19505 4.093032 76.52247       15.47182 82.88000       50.00077 75.84930       16.27034 39.64508 11.92105 38.97843 4.337885 0.6666527      12.68577 
1 1 1 14  23 8  o 61.24192 3.535905 185.1754       21.10597 0.000000       0.000000 185.1754       21.10597 ?        ?        61.24192 3.535905 ?              ?        
1 1 1 14  23 9  o 68.77107 4.621803 234.7612       30.93103 123.0000       55.97062 283.9000       37.11306 47.68356 12.00230 75.55908 5.046976 -27.87553      13.02026 
1 1 1 14  23 10 o 137.6869 3.429784 933.0562       46.22378 762.1000       93.26702 988.7200       53.21967 122.7795 7.800953 141.5817 3.843800 -18.80219      8.696532 
1 1 1 14  23 11 o 48.22108 3.636669 115.1952       17.03862 67.01000       53.67638 120.5946       17.96791 36.53043 12.48987 49.32600 3.749569 -12.79557      13.04056 
1 1 1 14  23 12 o 50.61621 3.497154 126.7890       17.21998 90.90000       52.60432 131.0963       18.22406 41.04525 12.20059 51.44907 3.642320 -10.40382      12.73267 
1 1 1 14  23 13 o 71.07704 3.133716 249.0791       21.74835 150.3000       57.01096 265.9020       23.52754 52.66654 11.39096 73.41684 3.282268 -20.75030      11.85441 
1 1 1 14  23 14 o 121.9257 3.263978 732.5909       38.91864 638.4000       83.52483 758.7121       43.98533 112.0747 7.659853 123.9819 3.628365 -11.90718      8.475753 
1 1 1 14  23 15 o 67.92245 3.151793 227.6591       20.89737 176.5000       57.41499 235.4713       22.43626 57.33458 10.62169 69.04790 3.329473 -11.71333      11.13129 
1 1 1 14  23 16 o 40.02448 3.922244 79.93322       15.16913 55.16000       52.60853 82.17963       15.84197 33.88134 12.29590 40.56414 4.043701 -6.682800      12.94375 
1 1 1 14  23 17 o 80.02563 3.147769 316.1147       24.60878 261.8000       63.03880 325.8801       26.72962 70.47080 9.370920 81.20397 3.370190 -10.73317      9.958530 
1 1 1 14  23 18 o 35.04409 4.659725 62.09330       15.58809 6.575000       52.32312 67.50085       16.32960 26.39412 11.31800 36.55972 4.669617 -10.16560      12.24347 
1 1 1 14  23 19 o 86.32257 3.204149 368.1114       27.02645 282.0000       66.47765 385.1623       29.58143 72.87157 9.549461 88.24209 3.431355 -15.37051      10.14724 
1 1 1 14  23 20 o 29.88489 5.052785 45.77127       14.25418 -7.733000      52.75966 49.98422       14.80474 24.71472 10.96103 31.27272 5.005196 -6.558004      12.04974 
1 1 1 14  23 21 o 76.28919 3.867981 289.2529       28.78949 225.8000       63.34409 305.7723       32.32051 64.37167 10.40824 78.32661 4.231341 -13.95494      11.23547 
1 1 1 14  23 22 o 16.40654 6.120311 10.66850       13.18307 76.53000       51.96643 6.138397       13.62891 37.14333 12.28683 15.14839 6.062768 21.99493       13.70122 
1 1 1 14  23 23 o 42.65824 4.151877 91.32977       17.11710 77.95000       52.83372 92.89886       18.09297 37.31457 12.39054 42.97186 4.361864 -5.657295      13.13588 
1 1 1 14  23 24 o 90.77928 3.308485 408.1926       29.34912 370.1000       67.38447 417.1106       32.60413 83.81948 8.322955 91.65170 3.641591 -7.832214      9.084755 
1 1 1 14  23 25 o 80.93600 3.292892 324.7671       26.03260 508.1000       69.30643 294.6523       28.08944 99.00970 7.200591 76.94119 3.740947 22.06850       8.114382 
1 1 1 14  23 26 o 20.21338 6.602492 20.45379       15.02429 79.49000       49.54512 14.47521       15.76670 37.18176 11.97789 18.33994 6.719735 18.84183       13.73407 
1 1 1 14  23 27 o 82.03909 3.391116 334.3956       27.17267 215.8000       60.31874 364.5906       30.43588 62.12706 10.27800 85.57177 3.642030 -23.44471      10.90421 
1 1 1 14  23 28 o 68.94308 3.535647 236.9661       23.78006 255.0000       57.61512 233.2631       26.10757 68.45251 8.802366 68.25647 3.924198 0.1960373      9.637478 
1 1 1 14  23 29 o 39.05097 5.126776 78.54148       19.12383 71.15000       49.43899 79.84205       20.73815 34.81223 11.98397 39.21256 5.558661 -4.400337      13.21039 
1 1 1 14  23 30 o 51.70659 5.153208 137.3223       25.73442 124.5000       51.62677 141.5617       29.68534 45.17546 11.61214 52.12209 5.923489 -6.946636      13.03570 
1 1 1 14  23 31 o 40.51734 5.683951 86.01582       21.92315 0.000000       0.000000 86.01582       21.92315 ?        ?        40.51734 5.683951 ?              ?        
1 1 1 14  23 32 o 14.49206 6.338014 -1.481247      17.07420 6.294000       43.24983 -2.916760      18.58365 23.06255 10.08676 14.82413 6.543155 8.238426       12.02313 
1 1 1 14  23 33 o 25.10484 6.906476 34.65468       17.50126 49.77961       23.58761 16.13000       26.10433 29.67691 7.957495 20.89122 8.380601 8.785698       11.55665 
1 1 1 14  23 34 o 12.03505 5.583221 -11.57349      15.71999 -23.18494      21.63965 1.401023       22.87456 13.06682 6.211643 17.08848 7.406303 -4.021663      9.666325 
1 1 1 14  23 35 o 19.15019 7.493456 14.61761       20.39012 20.22677       22.70396 -8.770000      46.36026 21.03999 7.991932 21.71937 9.894800 -0.6793842     12.71920 
1 1 1 14  23 36 o 27.38567 6.818289 41.63481       18.20602 21.53530       24.37494 66.99722       27.38080 21.59635 8.262045 34.08126 8.288657 -12.48491      11.70313 
1 1 1 14  23 37 o 27.72749 6.968447 43.00969       18.88790 10.14000       27.77518 71.28588       25.76140 19.88602 8.374958 35.48603 7.642665 -15.60001      11.33800 
1 1 1 14  23 38 o 61.36890 4.133867 192.1155       24.68709 175.5000       37.63433 204.6653       32.70745 56.63435 6.933310 62.47466 5.401566 -5.840313      8.789067 
1 1 1 14  23 39 o 31.56309 6.539219 55.17939       19.53801 61.01000       30.36908 51.06182       25.52085 31.64883 9.234060 29.38845 8.432458 2.260386       12.50497 
1 1 1 14  23 40 o 28.85697 7.224325 47.66504       20.35713 49.13000       32.00439 46.66957       26.38202 28.32143 9.645164 27.91455 8.710272 0.4068756      12.99608 
1 1 1 14  23 41 o 25.28364 8.658933 37.28097       25.80104 0.000000       0.000000 37.28097       25.80104 ?        ?        25.28364 8.658933 ?              ?        
1 1 1 14  23 42 o 35.46906 8.143620 74.11571       27.67499 0.000000       0.000000 74.11571       27.67499 ?        ?        35.46906 8.143620 ?              ?        
1 1 1 14  23 43 o 18.19695 7.318112 12.60800       19.95780 -7.987000      33.81483 23.61719       24.72318 18.37727 8.402127 21.69081 8.315176 -3.313540      11.82108 
1 1 1 14  23 44 x ?        ?        ?              ?        ?              ?        ?              ?        ?        ?        ?        ?        ?              ?        
1 1 1 14  23 45 o 17.60365 7.296987 9.423189       20.59232 5.182000       33.26094 12.05926       26.22220 19.89742 8.769218 19.48444 8.167365 0.4129772      11.98353 
1 1 1 14  23 46 o 17.92548 7.968447 0.3679268      28.04585 19.88000       32.81906 -52.46000      54.00154 22.01692 9.176272 18.99110 9.223995 3.025816       13.01100 
1 1 1 14  23 47 o 35.25446 5.423615 67.01979       18.11691 54.04674       23.17869 87.39039       29.04490 30.17336 7.793519 38.46806 7.975737 -8.294697      11.15129 
1 1 1 14  23 48 o 21.57383 8.588037 22.70557       27.19998 0.000000       0.000000 22.70557       27.19998 ?        ?        21.57383 8.588037 ?              ?        
1 1 1 14  23 49 o 19.57773 8.452415 10.39000       29.56363 0.000000       0.000000 10.39000       29.56363 ?        ?        19.57773 8.452415 ?              ?        
1 1 1 14  23 50 o 19.34873 9.337318 -36.30000      53.11605 0.000000       0.000000 -36.30000      53.11605 ?        ?        19.34873 9.337318 ?              ?        
1 1 1 14  24 0  o 106.0183 4.423420 555.8952       45.80261 0.000000       0.000000 555.8952       45.80261 ?        ?        106.0183 4.423420 ?              ?        
1 1 1 14  24 1  o 20.42902 6.502997 20.47512       14.63629 0.000000       0.000000 20.47512       14.63629 ?        ?        20.42902 6.502997 ?              ?        
1 1 1 14  24 2  o 79.64469 3.125010 312.3119       24.31480 337.1000       65.02060 308.2819       26.21693 81.34399 8.281549 79.08586 3.394604 2.258133       8.950273 
1 1 1 14  24 3  o 41.58041 4.106048 86.08775       16.49374 70.02000       52.89625 87.81821       17.35921 37.13399 12.39962 41.96854 4.285810 -4.834549      13.11941 
1 1 1 14  24 4  o 65.32140 3.989102 211.1650       25.38406 293.9000       60.60067 193.5597       27.95465 75.86023 8.296378 62.41041 4.608560 13.44982       9.490454 
1 1 1 14  24 5  o 119.1544 3.903869 700.7132       45.47001 606.0000       83.13168 741.1442       54.31485 109.4177 7.813406 122.3681 4.542540 -12.95038      9.037919 
1 1 1 14  24 6  o 87.84086 3.156878 379.9807       27.09903 253.5000       63.63106 408.0031       29.95093 69.85044 9.557008 90.98781 3.368770 -21.13737      10.13336 
1 1 1 14  24 7  o 60.92421 3.288475 183.1844       19.53790 156.6000       55.21127 186.9901       20.88962 54.15413 10.79475 61.52468 3.482991 -7.370552      11.34274 
1 1 1 14  24 8  o 110.9793 3.570749 607.4645       38.73843 0.000000       0.000000 607.4645       38.73843 ?        ?        110.9793 3.570749 ?              ?        
1 1 1 14  24 9  o 42.82904 3.883157 91.24186       16.10233 23.80000       52.51340 98.24109       16.91727 29.10699 11.81143 44.44586 3.929018 -15.33887      12.44777 
1 1 1 14  24 10 o 79.34530 3.523503 310.9003       27.29716 222.5000       63.31277 331.0851       30.25350 64.82889 10.32324 81.82929 3.787390 -17.00040      10.99607 
1 1 1 14  24 11 o 66.91402 3.959828 221.9132       25.81984 166.1000       60.26922 234.4594       28.57488 55.27514 11.51370 68.71720 4.269364 -13.44206      12.27977 
1 1 1 14  24 12 o 36.53736 4.200969 66.88824       14.75118 36.21000       53.19644 69.44369       15.35327 30.93349 12.10377 37.21881 4.292935 -6.285320      12.84253 
1 1 1 14  24 13 f 88.24892 3.116828 384.0419       26.88104 350.4000       67.85807 390.3037       29.27606 82.29077 8.548941 88.90997 3.370101 -6.619194      9.189231 
1 1 1 14  24 14 o 29.29394 4.905682 43.79370       13.56950 -70.63000      52.95311 51.83560       14.03824 19.56129 9.410311 31.99562 4.615764 -12.43433      10.48137 
1 1 1 14  24 15 o 30.39857 4.812510 47.05830       13.84332 4.318000       54.17950 50.04347       14.31860 26.53675 11.44959 31.36703 4.817378 -4.830286      12.42177 
1 1 1 14  24 16 o 82.91119 3.479565 340.1265       28.17591 272.2000       65.60508 355.4893       31.19987 71.60065 9.602709 84.68602 3.773348 -13.08537      10.31747 
1 1 1 14  24 17 o 39.36583 4.342474 77.86638       16.45486 -2.736000      53.81239 86.18029       17.28268 25.53920 11.20835 41.44129 4.324156 -15.90209      12.01355 
1 1 1 14  24 18 o 47.10729 3.696607 110.4872       16.90858 127.8000       57.18491 108.8286       17.70001 47.36562 12.24506 46.70362 3.907621 0.6619987      12.85344 
1 1 1 14  24 19 o 58.69177 3.412356 170.8642       19.51915 145.2000       57.31451 174.2313       20.76015 50.62527 11.78722 59.22543 3.598071 -8.600159      12.32415 
1 1 1 14  24 20 o 24.55837 6.510184 31.74167       15.90060 45.28000       52.31958 30.36399       16.69004 31.58782 12.09952 24.06024 6.791560 7.527575       13.87529 
1 1 1 14  24 21 o 54.81983 3.602162 149.5194       19.22180 113.1000       55.56804 154.4695       20.48652 44.14988 12.36770 55.67784 3.781502 -11.52795      12.93290 
1 1 1 14  24 22 o 46.01506 4.089496 106.1178       18.22776 33.53000       53.98538 115.4578       19.36499 29.85259 12.02530 47.99189 4.163486 -18.13929      12.72567 
1 1 1 14  24 23 o 38.84257 4.542072 76.36972       16.94337 44.52000       52.36138 80.09465       17.90677 31.19093 12.06331 39.74708 4.693019 -8.556149      12.94403 
1 1 1 14  24 24 o 39.46980 4.495373 78.85843       17.05830 100.1000       54.80029 76.57938       17.95010 41.18851 12.50068 38.78933 4.832172 2.399181       13.40212 
1 1 1 14  24 25 o 26.29027 6.325609 36.70238       16.07953 95.30000       53.61790 30.91163       16.85532 40.14382 12.39983 24.14243 6.828670 16.00139       14.15579 
1 1 1 14  24 26 o 38.96906 4.650396 77.30183       17.38880 205.5000       56.35908 63.81413       18.28067 60.76302 9.809897 35.08106 5.504702 25.68196       11.24881 
1 1 1 14  24 27 o 33.29955 5.755507 58.07840       18.08143 3.305000       53.34412 65.18834       19.21918 25.21649 11.10977 35.32237 5.756857 -10.10588      12.51273 
1 1 1 14  24 28 o 12.92692 5.868552 -7.954052      16.13023 46.63000       51.67671 -13.84624      16.97853 30.51283 11.93242 12.37019 5.760307 18.14263       13.25005 
1 1 1 14  24 29 o 27.57186 7.869974 42.12054       22.28610 -29.56000      51.89758 58.32749       24.67727 21.41133 10.00366 32.37765 7.865413 -10.96632      12.72549 
1 1 1 14  24 30 o 21.83730 7.294710 24.83066       18.30700 -37.74000      53.16755 33.24692       19.49938 20.90799 9.879275 24.66203 7.450878 -3.754042      12.37399 
1 1 1 14  24 31 o 24.57657 7.052200 33.10828       17.84940 71.05000       47.91750 26.99533       19.23362 33.93060 11.79236 22.57907 7.475190 11.35153       13.96203 
1 1 1 14  24 32 o 25.13617 7.397437 35.00355       19.41752 10.71000       48.44093 39.65433       21.19484 24.37966 10.66859 26.60902 7.699909 -2.229361      13.15703 
1 1 1 14  24 33 o 44.68417 4.692963 102.8442       20.22017 98.06000       29.41363 107.1309       27.84230 42.14568 7.399819 44.60237 6.574289 -2.456684      9.898415 
1 1 1 14  24 34 o 38.31956 7.053449 80.76816       25.48168 77.72000       29.93915 88.78000       48.53854 36.70199 8.501035 36.90124 11.85260 -0.1992531     14.58601 
1 1 1 14  24 35 o 61.35477 4.181538 191.7433       24.96245 232.8000       37.67665 159.6197       33.32670 66.42888 5.854246 54.57817 6.357180 11.85070       8.642102 
1 1 1 14  24 36 o 23.48073 7.352804 30.58336       18.78234 33.37000       28.09650 28.33192       25.25467 24.79324 8.987524 23.28815 8.509068 1.505093       12.37658 
1 1 1 14  24 37 o 26.19403 8.597300 39.55221       25.46065 0.000000       0.000000 39.55221       25.46065 ?        ?        26.19403 8.597300 ?              ?        
1 1 1 14  24 38 o 27.90042 7.605299 44.87322       21.33459 19.39000       38.66339 56.02946       25.58183 23.27986 9.846608 30.81635 8.297623 -7.536493      12.87658 
1 1 1 14  24 39 o 15.83321 6.861882 1.837811       19.63306 28.44000       35.92548 -9.490288      23.44350 24.20806 9.789022 15.26801 6.986374 8.940048       12.02640 
1 1 1 14  24 40 o 77.90672 4.085325 310.7151       31.04469 228.6000       49.08160 365.4748       40.08091 62.83226 8.174075 83.70055 4.913802 -20.86829      9.537345 
1 1 1 14  24 41 f 21.03609 7.761047 22.74724       21.09114 32.02000       36.67192 18.16404       25.78185 24.84066 9.943972 20.69788 8.319809 4.142784       12.96541 
1 1 1 14  24 42 o 34.18911 5.435147 62.88755       17.58072 41.23600       22.48355 96.95641       28.20326 26.40724 8.005533 41.31354 7.237955 -14.90630      10.79243 
1 1 1 14  24 43 o 30.04756 9.728436 57.60000       32.65738 0.000000       0.000000 57.60000       32.65738 ?        ?        30.04756 9.728436 ?              ?        
1 1 1 14  24 44 o 42.19082 7.599243 102.6691       30.22894 0.000000       0.000000 102.6691       30.22894 ?        ?        42.19082 7.599243 ?              ?        
1 1 1 14  24 45 o 38.14878 13.09128 114.9000       58.98333 0.000000       0.000000 114.9000       58.98333 ?        ?        38.14878 13.09128 ?              ?        
1 1 1 14  24 46 o 38.62725 7.960505 88.19051       29.09684 0.000000       0.000000 88.19051       29.09684 ?        ?        38.62725 7.960505 ?              ?        
1 1 1 14  24 47 o 21.77733 8.497902 24.30936       26.16340 0.000000       0.000000 24.30936       26.16340 ?        ?        21.77733 8.497902 ?              ?        
1 1 1 14  24 48 o 25.59037 8.861486 40.55959       27.04727 0.000000       0.000000 40.55959       27.04727 ?        ?        25.59037 8.861486 ?              ?        
1 1 1 14  24 49 o 37.70743 8.009241 86.49959       28.64772 0.000000       0.000000 86.49959       28.64772 ?        ?        37.70743 8.009241 ?              ?        
1 1 1 14  25 0  o 57.54388 3.428972 163.6647       19.22628 160.8000       59.47743 163.9990       20.31706 54.50883 11.50926 57.56995 3.623829 -3.061115      12.06629 
1 1 1 14  25 1  o 27.11378 5.930675 38.04591       15.30077 0.000000       0.000000 38.04591       15.30077 ?        ?        27.11378 5.930675 ?              ?        
1 1 1 14  25 2  o 74.37737 4.283717 274.3676       31.05466 0.000000       0.000000 274.3676       31.05466 ?        ?        74.37737 4.283717 ?              ?        
1 1 1 14  25 3  o 76.25013 3.840522 287.6096       28.57173 382.3000       68.25175 267.4897       31.46111 86.44124 8.163212 73.40454 4.398878 13.03670       9.272980 
1 1 1 14  25 4  o 119.6533 3.288631 705.5228       38.47990 665.4000       86.73085 715.3563       42.93721 114.4043 7.791567 120.3901 3.647859 -5.985847      8.603220 
1 1 1 14  25 5  o 24.81631 6.941982 31.88408       17.52023 80.64000       51.52923 25.51095       18.63015 38.81927 12.18211 22.73775 7.346704 16.08151       14.22596 
1 1 1 14  25 6  o 70.83606 3.968035 248.6079       27.40290 177.8000       59.11500 267.9875       30.92636 57.51397 10.89953 73.47218 4.319363 -15.95821      11.72419 
1 1 1 14  25 7  o 50.70762 4.622169 128.4753       22.68975 20.17000       54.18764 151.5018       24.98561 28.81033 11.87954 55.08479 4.678167 -26.27446      12.76749 
1 1 1 14  25 8  o 94.52596 3.171997 440.5282       29.30721 316.7000       70.86243 466.0791       32.18916 77.80663 9.501364 97.18161 3.389101 -19.37498      10.08771 
1 1 1 14  25 9  o 112.6432 3.227375 625.6988       35.54780 546.7000       80.53716 644.8132       39.61559 103.2759 8.029990 114.2635 3.546324 -10.98759      8.778221 
1 1 1 14  25 10 o 51.42336 3.588560 131.1604       17.94952 93.56000       57.66763 135.1940       18.88777 41.18620 12.88184 52.18589 3.722046 -10.99968      13.40878 
1 1 1 14  25 11 o 86.54512 3.515946 370.3718       29.72254 313.9000       67.91095 383.7523       33.05678 77.39305 9.140794 88.00888 3.846609 -10.61583      9.917183 
1 1 1 14  25 12 o 86.09653 3.534010 366.7408       29.71909 401.4000       71.97973 359.6182       32.63020 87.91393 8.469316 85.14756 3.925650 2.766365       9.334884 
1 1 1 14  25 13 o 51.93041 3.663242 133.9806       18.50111 96.34000       59.62049 137.9914       19.46187 41.42386 13.11762 52.67618 3.800081 -11.25232      13.65696 
1 1 1 14  25 14 o 26.76226 5.328674 37.03168       13.46801 2.431000       55.24424 39.21807       13.88701 26.44182 11.48465 27.55647 5.341355 -1.114649      12.66599 
1 1 1 14  25 15 o 96.77176 3.583976 463.7800       33.88980 381.1000       74.66220 485.2353       38.03362 85.00079 9.115944 98.86814 3.937992 -13.86736      9.930167 
1 1 1 14  25 16 o 51.76418 3.867238 133.5214       19.45299 48.02000       60.85505 143.2525       20.53017 33.18762 12.95740 53.60932 3.939946 -20.42170      13.54317 
1 1 1 14  25 17 o 33.48290 4.607265 56.88986       14.69995 -20.00000      57.80262 62.20657       15.19968 24.49218 11.11511 35.05637 4.535782 -10.56419      12.00496 
1 1 1 14  25 18 o 67.92149 3.863216 229.6079       25.57808 283.8000       66.48606 220.1939       27.71081 72.66325 9.581036 66.38172 4.287694 6.281525       10.49669 
1 1 1 14  25 19 o 24.92209 6.602858 32.80061       16.36240 -22.57000      55.91146 37.98689       17.11154 23.72250 10.83001 26.79317 6.574712 -3.070677      12.66949 
1 1 1 14  25 20 o 44.61951 3.992939 99.72880       17.25495 94.01000       57.88360 100.2865       18.07680 40.25254 12.94476 44.69624 4.180345 -4.443707      13.60302 
1 1 1 14  25 21 o 91.15208 3.625796 412.8125       32.28559 0.000000       0.000000 412.8125       32.28559 ?        ?        91.15208 3.625796 ?              ?        
1 1 1 14  25 22 o 101.7567 3.347962 513.5219       33.30105 442.0000       74.73811 531.2386       37.19760 91.21401 8.467622 103.3567 3.682685 -12.14272      9.233786 
1 1 1 14  25 23 o 24.82325 6.083948 32.61798       14.66568 41.65000       54.78801 31.92086       15.22113 30.80535 12.21258 24.53115 6.304970 6.274206       13.74408 
1 1 1 14  25 24 o 13.08300 5.737586 -2.473888      14.07842 43.36000       52.78721 -5.983684      14.60751 30.66269 12.03949 12.61654 5.669153 18.04615       13.30747 
1 1 1 14  25 25 o 41.96074 4.587305 89.51633       18.53452 112.4000       53.66874 86.41747       19.74964 43.04851 12.18810 41.07158 5.016592 1.976933       13.18013 
1 1 1 14  25 26 o 64.81364 3.640020 210.0840       23.00000 187.8000       56.54675 214.5015       25.17671 57.08778 10.50651 65.36917 3.953251 -8.281387      11.22564 
1 1 1 14  25 27 o 45.37806 5.854039 107.5060       25.39686 178.5000       51.98042 85.24447       29.10761 55.87234 9.865260 39.38396 7.826427 16.48837       12.59271 
1 1 1 14  25 28 f 74.60423 3.942902 280.2040       28.69068 0.000000       0.000000 280.2040       28.69068 ?        ?        74.60423 3.942902 ?              ?        
1 1 1 14  25 29 o 15.65275 6.482021 5.218554       16.22764 -0.7025000     43.76124 6.162562       17.47342 22.30834 9.932987 16.32566 6.740175 5.982677       12.00392 
1 1 1 14  25 30 o 24.23621 7.063515 32.21529       17.77869 46.91000       45.28043 29.53703       19.33109 29.31926 11.24971 23.36823 7.477356 5.951035       13.50803 
1 1 1 14  25 31 o 56.91309 4.993801 167.1422       27.53788 0.000000       0.000000 167.1422       27.53788 ?        ?        56.91309 4.993801 ?              ?        
1 1 1 14  25 32 o 23.51348 7.455997 30.30287       19.25614 0.000000       0.000000 30.30287       19.25614 ?        ?        23.51348 7.455997 ?              ?        
1 1 1 14  25 33 o 40.53233 6.756442 89.51812       25.86253 84.85000       29.84293 103.6000       51.83229 38.57640 8.158648 39.43357 12.19353 -0.8571701     14.67125 
1 1 1 14  25 34 o 35.46817 6.313366 68.31000       21.11473 24.49000       30.70922 107.6008       29.07892 23.18595 9.158576 44.29434 6.934246 -21.10839      11.48753 
1 1 1 14  25 35 o 39.03608 6.181533 82.32619       22.83352 35.72000       37.93834 108.7972       28.59184 26.11693 10.22087 44.59162 6.762516 -18.47469      12.25552 
1 1 1 14  25 36 o 55.27246 6.363892 164.8456       33.80239 149.9000       41.31641 195.1000       58.78402 50.82993 8.611297 55.22715 11.25660 -4.397221      14.17270 
1 1 1 14  25 37 o 33.34767 6.903419 62.34289       21.79111 42.83000       36.84468 72.84019       27.02421 27.11366 10.20740 35.39973 7.989390 -8.286070      12.96231 
1 1 1 14  25 38 o 50.00944 6.447770 136.8684       30.82852 0.000000       0.000000 136.8684       30.82852 ?        ?        50.00944 6.447770 ?              ?        
1 1 1 14  25 39 o 59.61745 5.907440 191.2826       34.02015 0.000000       0.000000 191.2826       34.02015 ?        ?        59.61745 5.907440 ?              ?        
1 1 1 14  25 40 o 31.40803 8.706740 60.00216       27.69588 0.000000       0.000000 60.00216       27.69588 ?        ?        31.40803 8.706740 ?              ?        
1 1 1 14  25 41 o 22.70932 8.569105 27.48076       26.00020 0.000000       0.000000 27.48076       26.00020 ?        ?        22.70932 8.569105 ?              ?        
1 1 1 14  25 42 o 37.70024 9.625422 90.17000       35.63793 0.000000       0.000000 90.17000       35.63793 ?        ?        37.70024 9.625422 ?              ?        
1 1 1 14  25 43 f 51.87130 6.783894 150.0226       33.61929 0.000000       0.000000 150.0226       33.61929 ?        ?        51.87130 6.783894 ?              ?        
1 1 1 14  25 44 o 29.70418 12.23214 59.98000       57.35304 0.000000       0.000000 59.98000       57.35304 ?        ?        29.70418 12.23214 ?              ?        
1 1 1 14  25 45 o 40.00780 7.835468 94.11566       29.58594 0.000000       0.000000 94.11566       29.58594 ?        ?        40.00780 7.835468 ?              ?        
1 1 1 14  25 46 o 27.14609 8.960212 46.07033       27.64102 0.000000       0.000000 46.07033       27.64102 ?        ?        27.14609 8.960212 ?              ?        
1 1 1 14  25 47 o 18.52022 7.926930 9.099597       25.57914 0.000000       0.000000 9.099597       25.57914 ?        ?        18.52022 7.926930 ?              ?        
1 1 1 14  25 48 o 27.25860 8.857190 47.73892       27.05597 0.000000       0.000000 47.73892       27.05597 ?        ?        27.25860 8.857190 ?              ?        
1 1 1 14  26 0  o 110.7641 3.234749 605.0239       35.03326 644.9000       84.45631 596.7366       38.50197 112.4040 7.723100 109.9078 3.583680 2.496178       8.514050 
1 1 1 14  26 1  o 90.55100 3.146582 404.3612       27.84698 441.2000       72.89447 398.0664       30.13236 92.66810 8.118251 89.77721 3.435286 2.890892       8.815168 
1 1 1 14  26 2  o 27.81457 6.991589 40.56326       19.01111 0.000000       0.000000 40.56326       19.01111 ?        ?        27.81457 6.991589 ?              ?        
1 1 1 14  26 3  o 27.40764 5.873478 38.97625       15.28313 0.000000       0.000000 38.97625       15.28313 ?        ?        27.40764 5.873478 ?              ?        
1 1 1 14  26 4  o 30.06746 5.289168 46.33207       14.99838 14.24000       53.29006 49.09287       15.63021 27.70001 11.62920 30.95646 5.351863 -3.256447      12.80159 
1 1 1 14  26 5  o 99.90660 3.206055 492.4614       31.31185 352.3000       71.55530 525.6565       34.82287 82.14325 9.049215 103.1562 3.453629 -21.01299      9.685858 
1 1 1 14  26 6  o 64.66692 4.109231 207.9126       25.87597 192.4000       61.63239 211.2321       28.51044 59.47376 10.99190 65.08188 4.503227 -5.608120      11.87859 
1 1 1 14  26 7  o 81.99046 3.898303 333.3832       31.19604 358.3000       70.26009 327.2649       34.81612 82.86723 8.796230 81.08636 4.403102 1.780869       9.836716 
1 1 1 14  26 8  o 34.16246 6.321457 60.54328       20.36006 -0.9834000     57.01684 69.53527       21.79714 26.49701 11.58531 36.67772 6.298240 -10.18072      13.18663 
1 1 1 14  26 9  o 57.28195 3.403335 162.5739       18.99619 140.1000       59.53215 165.1215       20.04401 49.78917 12.29066 57.69619 3.566643 -7.907028      12.79770 
1 1 1 14  26 10 o 87.13632 3.413152 375.5608       29.05496 0.000000       0.000000 375.5608       29.05496 ?        ?        87.13632 3.413152 ?              ?        
1 1 1 14  26 11 o 43.93123 3.956212 96.38992       16.83009 15.41000       57.75106 103.9057       17.59377 28.44324 12.03254 45.61924 3.979882 -17.17600      12.67365 
1 1 1 14  26 12 o 86.18916 3.216933 367.1986       27.09182 283.2000       71.16746 381.4342       29.29770 72.38332 10.33803 87.79119 3.415906 -15.40787      10.88776 
1 1 1 14  26 13 o 110.1604 3.308971 600.0140       35.63952 526.7000       83.83404 616.1867       39.37472 100.2942 8.623250 111.5285 3.611591 -11.23425      9.349012 
1 1 1 14  26 14 o 26.27594 7.028130 36.50709       18.42780 -8.182000      58.55362 41.42000       19.41432 25.79967 11.48852 27.94375 7.088223 -2.144079      13.49922 
1 1 1 14  26 15 o 27.61048 5.447202 39.57423       14.19844 -12.41000      59.93542 42.66501       14.61444 25.61387 11.49853 28.70603 5.399313 -3.092163      12.70310 
1 1 1 14  26 16 o 69.90094 3.319000 242.1767       22.64405 144.8000       66.20914 255.0755       24.09719 49.40395 13.36896 71.70832 3.443193 -22.30437      13.80524 
1 1 1 14  26 17 o 62.88362 4.088203 197.5067       25.02740 175.6000       65.12796 201.3021       27.10891 55.04640 12.38754 63.38855 4.396371 -8.342152      13.14455 
1 1 1 14  26 18 o 17.34901 6.188048 13.41602       13.25760 1.637000       57.56930 14.07569       13.62378 26.41993 11.59399 17.67971 6.276376 8.740221       13.18384 
1 1 1 14  26 19 o 109.5981 4.137858 599.3007       44.31026 597.0000       85.70498 600.1400       51.76554 106.3949 8.295119 109.2865 4.851228 -2.891640      9.609549 
1 1 1 14  26 20 o 76.87157 3.343294 293.3241       25.09613 206.4000       66.58714 307.7157       27.09412 59.81631 11.79208 78.67625 3.527206 -18.85994      12.30830 
1 1 1 14  26 21 o 40.07874 4.305614 81.14706       16.62645 27.95000       58.47842 85.82552       17.34216 29.39347 12.24972 41.21239 4.365308 -11.81892      13.00429 
1 1 1 14  26 22 o 24.63955 6.079916 32.21186       14.57227 62.46000       58.70331 30.22554       15.04312 34.17825 12.88050 23.85207 6.336493 10.32618       14.35473 
1 1 1 14  26 23 o 68.94366 3.499568 236.9499       23.53922 179.9000       62.46196 246.3933       25.41288 54.97778 11.94897 70.22878 3.710017 -15.25100      12.51168 
1 1 1 14  26 24 f 63.24110 3.595793 199.8974       22.16700 260.1000       58.95931 189.9866       23.92214 68.73364 8.977868 61.49824 3.995661 7.235401       9.826872 
1 1 1 14  26 25 o 36.49372 5.088021 68.85897       17.68148 45.23000       49.70884 72.28162       18.91877 30.00727 11.71221 37.31067 5.331719 -7.303396      12.86868 
1 1 1 14  26 26 o 46.50567 5.716667 112.8597       25.47598 131.0000       51.10229 106.8603       29.38837 46.32291 11.35885 44.59361 6.960053 1.729298       13.32163 
1 1 1 14  26 27 o 29.55009 6.875686 47.84866       19.51228 0.000000       0.000000 47.84866       19.51228 ?        ?        29.55009 6.875686 ?              ?        
1 1 1 14  26 28 o 50.15153 4.156640 127.7191       20.22170 129.7000       48.56943 127.3037       22.24105 46.03431 10.94090 49.86522 4.608840 -3.830917      11.87201 
1 1 1 14  26 29 o 33.72913 6.823297 62.25834       21.75245 0.000000       0.000000 62.25834       21.75245 ?        ?        33.72913 6.823297 ?              ?        
1 1 1 14  26 30 o 26.57340 7.552446 39.62602       20.56777 0.000000       0.000000 39.62602       20.56777 ?        ?        26.57340 7.552446 ?              ?        
1 1 1 14  26 31 o 20.67048 7.425666 21.23825       19.12698 0.000000       0.000000 21.23825       19.12698 ?        ?        20.67048 7.425666 ?              ?        
1 1 1 14  26 32 o 24.31779 8.621634 31.91257       25.70008 0.000000       0.000000 31.91257       25.70008 ?        ?        24.31779 8.621634 ?              ?        
1 1 1 14  26 33 o 25.67910 7.782340 37.46610       21.24967 43.12000       37.63471 34.82001       25.74642 27.54080 10.32726 24.98229 8.646023 2.558508       13.46871 
1 1 1 14  26 34 o 21.44273 7.710185 23.71560       20.62617 25.80000       36.07152 22.70296       25.14211 24.06214 9.780038 21.83217 8.381277 2.229967       12.88002 
1 1 1 14  26 35 o 18.65846 6.682580 17.19276       15.47760 33.60013       19.45697 -11.08050      25.54134 24.37954 7.458591 15.83446 7.262996 8.545083       10.41065 
1 1 1 14  26 36 o 21.08527 8.350471 19.73131       25.59014 0.000000       0.000000 19.73131       25.59014 ?        ?        21.08527 8.350471 ?              ?        
1 1 1 14  26 37 o 23.33898 8.543938 29.81862       25.48044 0.000000       0.000000 29.81862       25.48044 ?        ?        23.33898 8.543938 ?              ?        
1 1 1 14  26 38 o 38.69768 7.656876 86.60921       27.97567 0.000000       0.000000 86.60921       27.97567 ?        ?        38.69768 7.656876 ?              ?        
1 1 1 14  26 39 o 21.05498 8.300920 20.49627       25.18355 0.000000       0.000000 20.49627       25.18355 ?        ?        21.05498 8.300920 ?              ?        
1 1 1 14  26 40 o 57.55692 5.962497 179.3430       33.10574 0.000000       0.000000 179.3430       33.10574 ?        ?        57.55692 5.962497 ?              ?        
1 1 1 14  26 41 o 52.20478 8.119096 159.6000       40.14013 0.000000       0.000000 159.6000       40.14013 ?        ?        52.20478 8.119096 ?              ?        
1 1 1 14  26 42 o 16.99726 7.650894 -3.577662      26.73541 0.000000       0.000000 -3.577662      26.73541 ?        ?        16.99726 7.650894 ?              ?        
1 1 1 14  26 43 o 43.04405 7.551477 107.1293       30.65671 0.000000       0.000000 107.1293       30.65671 ?        ?        43.04405 7.551477 ?              ?        
1 1 1 14  26 44 o 50.19757 6.839274 141.7604       32.73148 0.000000       0.000000 141.7604       32.73148 ?        ?        50.19757 6.839274 ?              ?        
1 1 1 14  26 45 o 53.92232 6.378801 161.2541       33.01657 0.000000       0.000000 161.2541       33.01657 ?        ?        53.92232 6.378801 ?              ?        
1 1 1 14  26 46 o 22.23116 8.458618 27.27880       25.45937 0.000000       0.000000 27.27880       25.45937 ?        ?        22.23116 8.458618 ?              ?        
1 1 1 14  26 47 o 30.29039 8.645967 58.56597       26.89762 0.000000       0.000000 58.56597       26.89762 ?        ?        30.29039 8.645967 ?              ?        
1 1 1 14  26 48 o 42.61042 7.549135 108.4158       30.33373 0.000000       0.000000 108.4158       30.33373 ?        ?        42.61042 7.549135 ?              ?        
1 1 1 14  27 0  o 175.8125 4.633029 1539.049       79.66039 1907.000       163.5748 1424.652       91.20683 191.6141 8.744383 168.5326 5.536392 23.08142       10.34968 
1 1 1 14  27 1  o 99.32035 3.865541 489.1182       37.50807 449.6000       77.11182 501.3658       42.92868 92.89261 8.577560 100.3746 4.379900 -7.481987      9.631099 
1 1 1 14  27 2  o 37.07542 4.558108 69.33987       16.19385 125.9000       57.56769 64.47966       16.87528 47.11861 12.33847 35.63110 4.973912 11.48750       13.30330 
1 1 1 14  27 3  o 34.47303 5.131864 60.57336       16.78939 0.000000       0.000000 60.57336       16.78939 ?        ?        34.47303 5.131864 ?              ?        
1 1 1 14  27 4  o 67.08133 4.457042 224.6434       29.09943 0.000000       0.000000 224.6434       29.09943 ?        ?        67.08133 4.457042 ?              ?        
1 1 1 14  27 5  o 38.66014 5.543935 76.34644       20.37957 54.56000       61.43384 79.04041       21.60287 34.36192 13.12374 39.27621 5.792920 -4.914295      14.34540 
1 1 1 14  27 6  o 28.87352 5.522521 43.11930       15.03930 79.80000       54.16240 40.05492       15.65491 38.08064 12.54146 27.71079 5.949428 10.36985       13.88107 
1 1 1 14  27 7  o 26.40594 7.115101 36.77541       18.80185 23.08000       54.49604 38.62590       20.03185 28.79400 11.89702 27.03582 7.369371 1.758183       13.99452 
1 1 1 14  27 8  o 44.71178 4.991384 101.0617       21.47268 46.70000       55.32547 110.7027       23.29908 32.32859 12.42722 46.76535 5.176454 -14.43676      13.46222 
1 1 1 14  27 9  o 22.27846 7.304574 24.71168       18.38155 2.382000       54.86420 27.53511       19.50908 26.22559 11.41729 23.33700 7.516044 2.888590       13.66914 
1 1 1 14  27 10 o 87.24648 3.171847 376.3677       27.04225 352.9000       71.19618 380.3242       29.23306 81.58404 9.068544 87.63388 3.414505 -6.049843      9.690063 
1 1 1 14  27 11 o 45.73009 3.872922 104.4631       17.17306 -16.54000      58.25014 115.9814       17.97183 24.87841 11.23717 48.20951 3.840213 -23.33110      11.87523 
1 1 1 14  27 12 o 17.63770 6.435952 13.23271       14.44079 -57.00000      58.62193 17.76991       14.89994 21.61948 10.26191 19.30170 6.580931 2.317778       12.19080 
1 1 1 14  27 13 o 26.02821 6.211464 35.69823       15.60415 98.90000       61.85434 31.40260       16.12572 41.20272 13.39242 24.40540 6.595037 16.79732       14.92821 
1 1 1 14  27 14 o 43.15941 4.024121 93.39410       16.80423 148.4000       64.43970 89.38058       17.40650 50.07380 13.02562 42.14826 4.278372 7.925541       13.71026 
1 1 1 14  27 15 o 55.36372 3.609748 152.6102       19.45511 140.8000       65.62165 153.7483       20.37097 48.48332 13.38743 55.52794 3.770312 -7.044621      13.90821 
1 1 1 14  27 16 o 42.02775 5.519452 90.54659       22.15763 30.44000       61.77885 99.42000       23.73690 30.44148 12.63052 44.02758 5.637146 -13.58609      13.83139 
1 1 1 14  27 17 o 47.24503 3.881761 111.7427       17.79292 84.05000       61.86060 114.2404       18.57799 38.20279 13.39052 47.73721 4.013020 -9.534416      13.97893 
1 1 1 14  27 18 o 61.43641 3.482916 187.8375       20.85895 143.0000       64.09579 193.1486       22.05978 48.56508 13.15892 62.25568 3.635886 -13.69060      13.65199 
1 1 1 14  27 19 o 45.59564 4.038357 104.4490       17.83712 121.8000       61.85191 102.8751       18.62855 44.66336 13.21795 45.18202 4.262561 -0.5186615     13.88825 
1 1 1 14  27 20 o 46.22772 3.989424 107.3803       17.87527 52.95000       59.40122 112.8001       18.74410 32.72987 12.79501 47.35913 4.083311 -14.62926      13.43077 
1 1 1 14  27 21 o 57.30301 3.667071 164.2056       20.46057 187.7000       62.81643 161.4171       21.64072 56.28926 11.77977 56.72598 3.921614 -0.4367142     12.41539 
1 1 1 14  27 22 o 32.98544 4.991360 56.21357       15.61236 147.6000       57.75980 49.01052       16.21597 49.26398 12.07374 30.54318 5.631464 18.72080       13.32248 
1 1 1 14  27 23 o 52.00628 3.857338 136.0389       19.49606 112.2000       56.60656 139.2473       20.76660 42.12055 12.68827 52.53986 4.069746 -10.41930      13.32498 
1 1 1 14  27 24 o 32.23436 7.574553 57.47627       23.49171 62.12000       53.71861 56.37821       26.12191 32.79533 12.32966 31.62969 8.325335 1.165642       14.87722 
1 1 1 14  27 25 o 84.04617 3.781620 354.9811       31.03046 0.000000       0.000000 354.9811       31.03046 ?        ?        84.04617 3.781620 ?              ?        
1 1 1 14  27 26 f 26.02081 6.611391 37.02074       16.87048 36.08000       46.56648 37.16287       18.10008 27.72295 11.16812 25.98316 6.972270 1.739790       13.16585 
1 1 1 14  27 27 o 25.10430 6.796902 34.66480       17.10840 71.75000       46.17487 28.76363       18.41936 33.89162 11.58437 23.04121 7.290461 10.85041       13.68753 
1 1 1 14  27 28 o 52.41201 4.812070 141.5274       24.41174 0.000000       0.000000 141.5274       24.41174 ?        ?        52.41201 4.812070 ?              ?        
1 1 1 14  27 29 o 25.25617 7.259470 35.57763       18.89879 0.000000       0.000000 35.57763       18.89879 ?        ?        25.25617 7.259470 ?              ?        
1 1 1 14  27 30 o 36.80909 5.777673 72.19228       20.13202 0.000000       0.000000 72.19228       20.13202 ?        ?        36.80909 5.777673 ?              ?        
1 1 1 14  27 31 o 24.05525 7.804501 32.15280       21.01134 66.77000       37.72062 16.58000       25.29976 32.72403 10.44225 20.58977 8.253604 12.13426       13.31024 
1 1 1 14  27 32 o 38.23894 6.418634 79.63662       23.17410 21.94000       38.61390 112.1162       28.97168 23.84940 9.947792 45.28194 6.741722 -21.43254      12.01705 
1 1 1 14  27 33 o 28.54183 5.941802 44.44386       16.05949 33.17892       20.13369 64.14642       26.62688 24.23295 7.616198 33.08215 8.250979 -8.849201      11.22876 
1 1 1 14  27 34 o 53.99519 5.957278 156.2096       30.96262 0.000000       0.000000 156.2096       30.96262 ?        ?        53.99519 5.957278 ?              ?        
1 1 1 14  27 35 o 34.00071 8.430444 68.97311       27.91768 0.000000       0.000000 68.97311       27.91768 ?        ?        34.00071 8.430444 ?              ?        
1 1 1 14  27 36 o 71.31284 5.465126 269.6088       37.85752 0.000000       0.000000 269.6088       37.85752 ?        ?        71.31284 5.465126 ?              ?        
1 1 1 14  27 37 o 29.79101 8.554826 53.96632       26.25684 0.000000       0.000000 53.96632       26.25684 ?        ?        29.79101 8.554826 ?              ?        
1 1 1 14  27 38 o 20.70342 8.274275 18.87633       25.34843 0.000000       0.000000 18.87633       25.34843 ?        ?        20.70342 8.274275 ?              ?        
1 1 1 14  27 39 o 25.35976 8.845888 38.27407       26.97642 0.000000       0.000000 38.27407       26.97642 ?        ?        25.35976 8.845888 ?              ?        
1 1 1 14  27 40 o 50.25933 8.280398 149.3000       39.31823 0.000000       0.000000 149.3000       39.31823 ?        ?        50.25933 8.280398 ?              ?        
1 1 1 14  27 41 o 29.22995 11.96653 56.96000       54.47798 0.000000       0.000000 56.96000       54.47798 ?        ?        29.22995 11.96653 ?              ?        
1 1 1 14  27 42 o 54.61708 6.677155 166.3577       34.95513 0.000000       0.000000 166.3577       34.95513 ?        ?        54.61708 6.677155 ?              ?        
1 1 1 14  27 43 o 15.15945 7.029774 -12.52048      24.88206 0.000000       0.000000 -12.52048      24.88206 ?        ?        15.15945 7.029774 ?              ?        
1 1 1 14  27 44 o 47.84556 7.075205 130.7238       32.13716 0.000000       0.000000 130.7238       32.13716 ?        ?        47.84556 7.075205 ?              ?        
1 1 1 14  27 45 o 18.88227 8.072460 10.24960       26.47078 0.000000       0.000000 10.24960       26.47078 ?        ?        18.88227 8.072460 ?              ?        
1 1 1 14  27 46 o 27.49884 8.906410 48.91889       27.37017 0.000000       0.000000 48.91889       27.37017 ?        ?        27.49884 8.906410 ?              ?        
1 1 1 14  27 47 o 20.20452 8.152412 19.85974       24.85696 0.000000       0.000000 19.85974       24.85696 ?        ?        20.20452 8.152412 ?              ?        
1 1 1 14  28 0  o 43.69217 4.149004 95.64835       17.53142 10.88000       57.24788 104.4207       18.41622 27.66295 11.84990 45.66393 4.166060 -18.00097      12.56090 
1 1 1 14  28 1  o 32.93259 5.195116 55.55381       16.19213 -45.31000      56.97857 64.41497       16.88843 22.17266 10.39886 35.57068 4.987391 -13.39801      11.53301 
1 1 1 14  28 2  o 55.83982 3.610076 154.9818       19.62605 197.2000       61.44643 150.1856       20.71090 59.73674 10.91061 54.90018 3.879038 4.836559       11.57966 
1 1 1 14  28 3  o 39.92530 4.413169 80.28061       16.95913 25.10000       57.08488 85.62233       17.76103 29.37413 12.16023 41.23167 4.472333 -11.85754      12.95658 
1 1 1 14  28 4  o 59.16043 3.725098 174.1058       21.46174 0.000000       0.000000 174.1058       21.46174 ?        ?        59.16043 3.725098 ?              ?        
1 1 1 14  28 5  o 41.10983 4.467840 85.15656       17.68953 0.000000       0.000000 85.15656       17.68953 ?        ?        41.10983 4.467840 ?              ?        
1 1 1 14  28 6  o 52.41398 3.898088 137.0709       19.85567 0.000000       0.000000 137.0709       19.85567 ?        ?        52.41398 3.898088 ?              ?        
1 1 1 14  28 7  o 105.4960 3.282117 550.7509       33.85070 362.2000       76.89678 596.0716       37.70007 81.98528 9.774498 109.6661 3.516619 -27.68081      10.38785 
1 1 1 14  28 8  o 88.52440 3.975460 390.0895       34.35952 292.3000       70.16195 420.9405       39.40849 73.34417 10.03599 91.79384 4.398815 -18.44967      10.95767 
1 1 1 14  28 9  o 63.94720 4.387639 204.8013       27.29724 85.34000       62.31115 233.1724       30.36616 38.80205 13.44946 68.18481 4.576340 -29.38276      14.20672 
1 1 1 14  28 10 o 30.85233 6.755653 50.42602       19.83490 71.41000       57.17623 47.55521       21.14822 36.15703 12.85561 29.82147 7.303982 6.335560       14.78563 
1 1 1 14  28 11 o 56.45224 3.843529 159.0065       21.11153 151.5000       60.55798 160.0450       22.52460 51.00468 12.27825 56.56437 4.095999 -5.559692      12.94344 
1 1 1 14  28 12 o 31.92233 5.467365 52.71663       16.46945 -2.235000      56.48960 57.82146       17.21744 25.75132 11.38520 33.47425 5.441453 -7.722935      12.61872 
1 1 1 14  28 13 o 20.42780 6.485286 21.15806       14.56479 41.67000       58.05782 19.78046       15.04594 31.40217 12.53161 19.99420 6.611217 11.40796       14.16860 
1 1 1 14  28 14 o 43.09333 5.159119 94.74294       21.32968 44.70000       58.47572 102.4230       22.90801 31.78343 12.61158 44.76748 5.332489 -12.98405      13.69260 
1 1 1 14  28 15 o 27.00990 6.867382 39.01088       18.19350 -24.39000      56.90527 46.22946       19.20131 23.52611 10.80946 29.42454 6.802763 -5.898422      12.77192 
1 1 1 14  28 16 o 74.50896 3.429945 276.0059       24.94797 106.9000       63.85139 306.4730       27.10234 41.84168 13.60740 78.48337 3.537044 -36.64169      14.05959 
1 1 1 14  28 17 o 40.60424 4.288497 83.33025       16.78723 20.38000       58.86156 88.90385       17.51464 28.39134 12.08455 41.94157 4.328393 -13.55022      12.83633 
1 1 1 14  28 18 o 51.76805 4.675292 135.8291       23.43557 75.77000       58.73723 147.2003       25.55803 36.13718 13.00887 53.81580 4.905774 -17.67861      13.90314 
1 1 1 14  28 19 o 63.17889 3.593880 199.4018       22.13334 104.9000       62.03912 213.1843       23.69243 40.87304 13.42051 65.28445 3.723042 -24.41141      13.92735 
1 1 1 14  28 20 o 35.76855 4.773642 65.68680       16.29623 87.00000       57.71628 63.84047       16.98742 37.58307 12.94795 35.14606 5.085576 2.437008       13.91088 
1 1 1 14  28 21 o 93.92670 3.392272 439.9587       31.13666 304.4000       72.76390 470.3448       34.45008 72.51428 10.56157 96.98695 3.635298 -24.47267      11.16970 
1 1 1 14  28 22 o 43.45737 4.162663 95.83383       17.49062 95.43000       59.35748 95.87223       18.30328 38.42440 13.13429 43.38890 4.369097 -4.964493      13.84192 
1 1 1 14  28 23 o 73.85319 4.591402 277.7722       33.02687 191.0000       62.61152 311.2238       38.87518 55.35723 11.90870 77.81607 5.132496 -22.45884      12.96764 
1 1 1 14  28 24 o 16.52802 6.578146 9.042351       15.95533 0.000000       0.000000 9.042351       15.95533 ?        ?        16.52802 6.578146 ?              ?        
1 1 1 14  28 25 o 43.16221 4.438623 95.41195       18.48547 81.16000       48.39912 97.84605       20.00185 35.66975 11.85960 43.56910 4.767896 -7.899353      12.78213 
1 1 1 14  28 26 o 20.73328 6.888696 22.53321       16.33011 6.971000       44.49371 24.95585       17.55525 23.11374 10.16622 21.66817 7.140257 1.445576       12.42318 
1 1 1 14  28 27 o 26.41363 7.384824 39.13812       19.83253 0.000000       0.000000 39.13812       19.83253 ?        ?        26.41363 7.384824 ?              ?        
1 1 1 14  28 28 f 17.96196 6.996186 12.80613       17.70734 0.000000       0.000000 12.80613       17.70734 ?        ?        17.96196 6.996186 ?              ?        
1 1 1 14  28 29 o 16.67343 7.317816 -0.4620693     22.94102 0.000000       0.000000 -0.4620693     22.94102 ?        ?        16.67343 7.317816 ?              ?        
1 1 1 14  28 30 o 25.44426 6.711020 36.11234       16.95135 113.1000       37.53746 16.39047       18.99890 43.70435 9.072016 19.15647 7.302638 24.54788       11.64603 
1 1 1 14  28 31 o 60.58590 4.600286 189.3080       27.07723 149.7000       43.75423 213.8917       34.47087 50.18233 9.248306 63.66718 5.587965 -13.48485      10.80539 
1 1 1 14  28 32 o 55.60802 3.693546 156.8458       19.99027 147.2124       25.52588 172.1246       32.14651 53.12296 4.966562 56.80544 5.865726 -3.682472      7.685927 
1 1 1 14  28 33 o 21.60068 8.339428 22.49038       24.99116 0.000000       0.000000 22.49038       24.99116 ?        ?        21.60068 8.339428 ?              ?        
1 1 1 14  28 34 o 56.73740 5.960444 173.6070       32.60829 0.000000       0.000000 173.6070       32.60829 ?        ?        56.73740 5.960444 ?              ?        
1 1 1 14  28 35 o 30.00722 8.879627 55.39616       27.91467 0.000000       0.000000 55.39616       27.91467 ?        ?        30.00722 8.879627 ?              ?        
1 1 1 14  28 36 o 19.42612 8.082544 12.74245       25.39846 0.000000       0.000000 12.74245       25.39846 ?        ?        19.42612 8.082544 ?              ?        
1 1 1 14  28 37 o 13.15661 6.328912 -28.35943      23.94518 0.000000       0.000000 -28.35943      23.94518 ?        ?        13.15661 6.328912 ?              ?        
1 1 1 14  28 38 o 16.60832 7.657639 -11.22000      28.91005 0.000000       0.000000 -11.22000      28.91005 ?        ?        16.60832 7.657639 ?              ?        
1 1 1 14  28 39 o 16.47118 7.414610 -3.791464      25.11456 0.000000       0.000000 -3.791464      25.11456 ?        ?        16.47118 7.414610 ?              ?        
1 1 1 14  28 40 o 31.24080 12.36390 71.74000       56.06403 0.000000       0.000000 71.74000       56.06403 ?        ?        31.24080 12.36390 ?              ?        
1 1 1 14  28 41 o 14.41158 6.819511 -20.70533      25.50648 0.000000       0.000000 -20.70533      25.50648 ?        ?        14.41158 6.819511 ?              ?        
1 1 1 14  28 42 o 48.94408 7.043533 136.2466       32.77363 0.000000       0.000000 136.2466       32.77363 ?        ?        48.94408 7.043533 ?              ?        
1 1 1 14  28 43 o 37.15018 8.207177 83.72058       29.04740 0.000000       0.000000 83.72058       29.04740 ?        ?        37.15018 8.207177 ?              ?        
1 1 1 14  28 44 o 26.64616 8.833631 44.98240       26.85680 0.000000       0.000000 44.98240       26.85680 ?        ?        26.64616 8.833631 ?              ?        
1 1 1 14  28 45 o 61.97347 5.968499 212.5010       35.75845 0.000000       0.000000 212.5010       35.75845 ?        ?        61.97347 5.968499 ?              ?        
1 1 1 14  28 46 o 17.08932 7.503555 4.283743       24.14374 0.000000       0.000000 4.283743       24.14374 ?        ?        17.08932 7.503555 ?              ?        
1 1 1 14  29 0  o 18.57175 6.569902 15.70928       14.91664 -36.95000      58.24979 19.40488       15.43119 22.96638 10.68608 19.95293 6.697771 3.013458       12.61160 
1 1 1 14  29 1  o 100.3460 3.250081 498.5186       31.88066 543.5000       81.74010 490.4484       34.62262 101.6795 8.284614 99.41455 3.563748 2.264984       9.018599 
1 1 1 14  29 2  f 33.40751 5.235451 57.34953       16.55802 27.53000       58.35177 59.96089       17.26782 29.64568 12.28552 34.14360 5.341767 -4.497915      13.39659 
1 1 1 14  29 3  o 75.29065 3.301835 281.0124       24.27422 281.9000       67.31906 280.8797       26.02501 72.01070 9.805149 75.19975 3.545627 -3.189049      10.42653 
1 1 1 14  29 4  f 49.35704 3.950789 121.8580       18.92781 44.89000       58.63132 130.8126       19.99858 32.02880 12.65385 51.12753 4.028644 -19.09873      13.27968 
1 1 1 14  29 5  o 44.23186 4.335528 98.47282       18.52997 0.000000       0.000000 98.47282       18.52997 ?        ?        44.23186 4.335528 ?              ?        
1 1 1 14  29 6  o 40.71628 4.595484 83.87907       17.99531 0.000000       0.000000 83.87907       17.99531 ?        ?        40.71628 4.595484 ?              ?        
1 1 1 14  29 7  o 39.80815 4.599243 80.24220       17.59191 0.000000       0.000000 80.24220       17.59191 ?        ?        39.80815 4.599243 ?              ?        
1 1 1 14  29 8  o 37.62470 4.552490 71.75319       16.42540 64.55000       56.43914 72.41973       17.16855 34.79209 12.71915 37.74438 4.752126 -2.952293      13.57791 
1 1 1 14  29 9  o 56.89138 5.396373 164.6847       29.69140 92.67000       60.83819 187.2000       34.01770 39.71859 13.29857 60.50592 5.815348 -20.78734      14.51448 
1 1 1 14  29 10 o 68.93063 5.060235 240.2975       33.90408 206.2000       64.34975 253.4000       39.88975 60.12527 11.35007 70.42445 5.839154 -10.29917      12.76401 
1 1 1 14  29 11 o 67.71332 4.542083 230.6270       29.93065 133.3000       63.67425 258.2313       33.91057 46.77236 13.28693 71.52466 4.872752 -24.75230      14.15225 
1 1 1 14  29 12 o 75.72180 3.420352 284.9967       25.28572 121.3000       63.82968 315.4673       27.53869 44.45323 13.49125 79.63082 3.541963 -35.17759      13.94845 
1 1 1 14  29 13 o 12.72366 5.912925 -14.29148      17.74910 47.54000       54.59323 -21.59953      18.76872 31.55050 12.28569 12.20665 5.797624 19.34386       13.58494 
1 1 1 14  29 14 o 22.54450 6.660925 26.76056       15.71768 -34.15000      57.31481 31.71380       16.34427 22.67381 10.56672 24.39126 6.659921 -1.717455      12.49041 
1 1 1 14  29 15 o 44.29393 4.117636 98.89554       17.64804 104.3000       60.92051 98.40044       18.43867 41.09306 13.28579 44.11636 4.325497 -3.023300      13.97219 
1 1 1 14  29 16 o 56.38559 3.690951 159.1185       20.25902 168.2000       63.67607 158.0957       21.36942 52.44283 12.56868 56.12644 3.914257 -3.683609      13.16408 
1 1 1 14  29 17 o 32.17035 5.348145 53.93187       16.24984 63.94000       59.48038 53.12465       16.89246 33.87030 12.91889 31.82513 5.628584 2.045176       14.09180 
1 1 1 14  29 18 o 44.09127 4.234695 98.52323       18.05154 92.46000       61.43753 99.09613       18.88512 38.27106 13.34954 44.15004 4.429794 -5.878975      14.06532 
1 1 1 14  29 19 o 75.35262 3.821166 285.0058       28.09186 139.7000       66.40493 316.6781       31.00265 45.87139 13.72545 79.34242 4.004920 -33.47103      14.29781 
1 1 1 14  29 20 o 13.14628 5.857058 -4.288497      15.23942 66.60000       58.67133 -9.417068      15.78106 33.52894 12.82043 12.46165 5.713372 21.06730       14.03588 
1 1 1 14  29 21 o 40.25336 6.885789 87.79365       26.15627 41.73000       59.59423 98.78455       29.10997 29.83419 12.39416 42.53686 7.251317 -12.70267      14.35955 
1 1 1 14  29 22 o 100.8282 3.747246 511.0273       36.91850 0.000000       0.000000 511.0273       36.91850 ?        ?        100.8282 3.747246 ?              ?        
1 1 1 14  29 23 o 20.70273 6.537294 22.75133       14.81699 107.8000       49.04165 14.20797       15.54339 41.05009 11.66050 17.88883 6.651025 23.16125       13.42399 
1 1 1 14  29 24 o 13.02713 5.773093 -3.108511      14.60785 -6.255000      46.51395 -2.764217      15.38632 21.99990 9.978815 13.44855 5.944068 8.551343       11.61502 
1 1 1 14  29 25 o 22.37182 6.647295 27.30972       15.61776 54.39000       44.36215 23.47855       16.68598 30.24649 11.23804 21.06097 6.962148 9.185514       13.21987 
1 1 1 14  29 26 o 18.01236 6.806246 14.17275       16.41599 6.274000       42.07695 15.59089       17.82885 22.41909 9.872536 18.75136 7.091387 3.667727       12.15544 
1 1 1 14  29 27 o 25.60910 7.101762 36.73542       18.42255 0.000000       0.000000 36.73542       18.42255 ?        ?        25.60910 7.101762 ?              ?        
1 1 1 14  29 28 o 49.96582 5.919144 133.0336       28.38768 0.000000       0.000000 133.0336       28.38768 ?        ?        49.96582 5.919144 ?              ?        
1 1 1 14  29 29 o 22.39440 6.943140 27.68380       16.79274 29.49000       36.57476 27.20133       18.90294 24.75875 9.924108 22.31780 7.411406 2.440948       12.38616 
1 1 1 14  29 30 o 32.17635 7.211817 58.69766       22.15044 6.023000       37.95291 85.90857       27.27820 21.26466 9.369739 38.96497 7.423098 -17.70031      11.95384 
1 1 1 14  29 31 o 52.76171 6.200860 150.4342       31.41349 0.000000       0.000000 150.4342       31.41349 ?        ?        52.76171 6.200860 ?              ?        
1 1 1 14  29 32 o 22.64254 8.422701 27.17795       24.93305 0.000000       0.000000 27.17795       24.93305 ?        ?        22.64254 8.422701 ?              ?        
1 1 1 14  29 33 o 40.88054 7.546997 96.04240       29.08706 0.000000       0.000000 96.04240       29.08706 ?        ?        40.88054 7.546997 ?              ?        
1 1 1 14  29 34 o 47.86934 6.811967 128.0243       31.01826 0.000000       0.000000 128.0243       31.01826 ?        ?        47.86934 6.811967 ?              ?        
1 1 1 14  29 35 o 23.60541 8.617289 31.36533       25.89259 0.000000       0.000000 31.36533       25.89259 ?        ?        23.60541 8.617289 ?              ?        
1 1 1 14  29 36 o 24.00900 8.788662 32.99764       26.96037 0.000000       0.000000 32.99764       26.96037 ?        ?        24.00900 8.788662 ?              ?        
1 1 1 14  29 37 o 28.79984 9.799625 53.23000       33.03666 0.000000       0.000000 53.23000       33.03666 ?        ?        28.79984 9.799625 ?              ?        
1 1 1 14  29 38 o 22.15399 8.622673 25.26972       26.88209 0.000000       0.000000 25.26972       26.88209 ?        ?        22.15399 8.622673 ?              ?        
1 1 1 14  29 39 o 34.49292 12.87613 94.54000       58.36991 0.000000       0.000000 94.54000       58.36991 ?        ?        34.49292 12.87613 ?              ?        
1 1 1 14  29 40 o 21.05956 8.465003 20.69883       26.68893 0.000000       0.000000 20.69883       26.68893 ?        ?        21.05956 8.465003 ?              ?        
1 1 1 14  29 41 o 18.07087 7.833091 6.081626       25.59352 0.000000       0.000000 6.081626       25.59352 ?        ?        18.07087 7.833091 ?              ?        
1 1 1 14  29 42 o 19.65048 8.221798 14.29969       26.49863 0.000000       0.000000 14.29969       26.49863 ?        ?        19.65048 8.221798 ?              ?        
1 1 1 14  29 43 o 28.85666 9.039963 54.02494       28.38779 0.000000       0.000000 54.02494       28.38779 ?        ?        28.85666 9.039963 ?              ?        
1 1 1 14  29 44 o 14.73242 6.864469 -12.40532      24.16955 0.000000       0.000000 -12.40532      24.16955 ?        ?        14.73242 6.864469 ?              ?        
1 1 1 14  29 45 o 17.57360 7.699508 5.729662       25.29777 0.000000       0.000000 5.729662       25.29777 ?        ?        17.57360 7.699508 ?              ?        
1 1 1 14  30 0  o 28.30548 5.901321 42.09605       15.81980 76.91000       58.11384 39.30970       16.44069 36.84104 12.97346 27.24151 6.292460 9.599535       14.41893 
1 1 1 14  30 1  o 46.70222 4.035716 109.4319       18.26780 116.4000       61.69136 108.7622       19.12555 43.89774 13.25079 46.49662 4.249210 -2.598881      13.91543 
1 1 1 14  30 2  o 31.37467 5.536188 51.13697       16.38056 -17.32000      57.49549 57.18442       17.08878 24.32800 11.05827 33.25057 5.438388 -8.922577      12.32320 
1 1 1 14  30 3  o 25.03096 6.432002 33.26992       15.84307 37.57000       57.04270 32.91048       16.49192 30.54118 12.34034 24.88209 6.645781 5.659086       14.01608 
1 1 1 14  30 4  o 86.91190 3.284699 374.7277       27.89323 229.5000       70.75595 401.4500       30.35115 62.96403 11.91689 89.89754 3.455657 -26.93351      12.40781 
1 1 1 14  30 5  o 19.37386 6.584279 18.20588       14.91342 28.66000       57.95900 17.46466       15.43306 29.40925 12.22073 19.22129 6.691641 10.18796       13.93285 
1 1 1 14  30 6  o 83.40944 3.305501 345.3560       26.93381 286.0000       69.21381 355.9482       29.23841 71.81612 10.12690 84.59420 3.538892 -12.77808      10.72743 
1 1 1 14  30 7  o 76.16198 3.635303 288.9411       27.02274 0.000000       0.000000 288.9411       27.02274 ?        ?        76.16198 3.635303 ?              ?        
1 1 1 14  30 8  o 76.14348 4.090527 290.2192       30.37533 0.000000       0.000000 290.2192       30.37533 ?        ?        76.14348 4.090527 ?              ?        
1 1 1 14  30 9  o 38.00340 5.294816 74.33163       19.16200 34.87000       59.14372 78.95972       20.25452 30.23042 12.43239 39.13911 5.433269 -8.908689      13.56778 
1 1 1 14  30 10 o 13.60853 6.265082 -12.77247      19.24854 -38.86000      57.28688 -9.452417      20.43670 22.27522 10.44056 14.62115 6.624966 7.654070       12.36509 
1 1 1 14  30 11 o 33.63844 10.66400 64.47222       39.39315 -17.79000      58.02569 134.8000       53.65171 24.13346 11.02344 47.72514 11.59985 -23.59168      16.00227 
1 1 1 14  30 12 o 17.72075 8.325045 -30.39702      36.78661 -10.14000      53.47932 -48.59000      50.68158 23.84539 10.76918 19.90850 9.475986 3.936892       14.34467 
1 1 1 14  30 13 o 29.70560 5.999352 46.77654       16.84269 95.47000       57.54385 42.21415       17.61407 39.25817 12.92692 28.02716 6.540522 11.23100       14.48736 
1 1 1 14  30 14 o 62.91067 3.738806 198.2722       22.91924 118.5000       65.67072 209.3363       24.45705 42.73452 13.79212 64.58847 3.886483 -21.85395      14.32925 
1 1 1 14  30 15 o 47.72954 4.176408 115.2383       19.31538 17.63000       61.35562 125.9760       20.35008 27.80479 12.08967 49.90763 4.204823 -22.10284      12.80003 
1 1 1 14  30 16 o 38.07131 4.876671 74.66369       17.75627 52.17000       60.51919 76.78240       18.57370 31.77524 12.75573 38.55055 5.043023 -6.775312      13.71644 
1 1 1 14  30 17 o 55.27272 3.806445 153.7989       20.46806 30.36000       60.15393 169.9617       21.76687 28.76773 12.22960 58.09855 3.849286 -29.33082      12.82108 
1 1 1 14  30 18 o 27.03018 6.191234 39.51230       16.02779 7.864000       55.71194 42.36805       16.73530 25.43630 11.27321 27.98088 6.266438 -2.544577      12.89781 
1 1 1 14  30 19 o 18.04576 7.526502 7.427261       22.10195 47.72000       55.46682 -0.1779523     24.09770 30.18638 12.17877 17.23797 7.534459 12.94842       14.32099 
1 1 1 14  30 20 o 60.74797 3.681659 185.8136       21.78903 85.94000       59.44286 201.3157       23.41908 36.07979 13.07353 63.18025 3.804513 -27.10046      13.61586 
1 1 1 14  30 21 o 21.87007 6.745563 25.81413       15.87455 9.543000       47.90983 27.82081       16.82498 24.06510 10.56815 22.62215 6.938609 1.442951       12.64239 
1 1 1 14  30 22 o 31.37104 6.119445 53.21172       18.11584 50.23000       47.96651 53.70779       19.56486 29.69763 11.52945 31.30010 6.594410 -1.602470      13.28211 
1 1 1 14  30 23 o 22.52973 6.553586 27.76736       15.31750 -18.45000      47.17651 33.21376       16.19490 20.85754 9.674720 24.53517 6.600138 -3.677629      11.71162 
1 1 1 14  30 24 o 30.37502 5.881254 49.78122       16.85415 102.1000       45.96133 41.65283       18.11616 39.74498 11.28789 27.36265 6.795017 12.38233       13.17531 
1 1 1 14  30 25 o 30.10903 5.738678 48.77747       16.29553 71.66000       43.57922 45.05789       17.57012 33.40379 11.25592 28.61074 6.430840 4.793049       12.96346 
1 1 1 14  30 26 f 37.10385 5.448047 73.01227       19.19744 0.000000       0.000000 73.01227       19.19744 ?        ?        37.10385 5.448047 ?              ?        
1 1 1 14  30 27 o 29.33845 8.006092 50.07786       23.62732 0.000000       0.000000 50.07786       23.62732 ?        ?        29.33845 8.006092 ?              ?        
1 1 1 14  30 28 o 59.07629 3.715235 177.0766       21.37475 108.0000       43.70379 198.7949       24.50565 40.85122 10.77621 62.41284 4.032897 -21.56162      11.50612 
1 1 1 14  30 29 f 37.38619 6.272113 76.37666       22.14048 66.90000       37.43052 81.47683       27.45940 32.29129 10.41177 37.69395 7.702828 -5.402657      12.95139 
1 1 1 14  30 30 o 23.73920 6.517918 31.62456       15.60487 25.78000       33.86530 33.20006       17.58279 23.44823 9.496090 24.17597 7.018301 -0.7277431     11.80814 
1 1 1 14  30 31 o 43.44131 6.981538 106.0600       28.68098 0.000000       0.000000 106.0600       28.68098 ?        ?        43.44131 6.981538 ?              ?        
1 1 1 14  30 32 o 55.40007 6.064448 166.7265       32.34906 0.000000       0.000000 166.7265       32.34906 ?        ?        55.40007 6.064448 ?              ?        
1 1 1 14  30 33 o 21.06153 8.314696 20.98056       25.29778 0.000000       0.000000 20.98056       25.29778 ?        ?        21.06153 8.314696 ?              ?        
1 1 1 14  30 34 o 26.37066 8.928730 42.22598       27.42242 0.000000       0.000000 42.22598       27.42242 ?        ?        26.37066 8.928730 ?              ?        
1 1 1 14  30 35 f 61.56268 6.076319 206.6940       36.13852 0.000000       0.000000 206.6940       36.13852 ?        ?        61.56268 6.076319 ?              ?        
1 1 1 14  30 36 o 34.29581 9.817355 76.86000       34.63133 0.000000       0.000000 76.86000       34.63133 ?        ?        34.29581 9.817355 ?              ?        
1 1 1 14  30 37 o 15.00957 6.997857 -14.62721      25.17903 0.000000       0.000000 -14.62721      25.17903 ?        ?        15.00957 6.997857 ?              ?        
1 1 1 14  30 38 o 47.50978 13.22981 175.6000       63.78845 0.000000       0.000000 175.6000       63.78845 ?        ?        47.50978 13.22981 ?              ?        
1 1 1 14  30 39 o 16.90201 7.606657 -2.651356      26.41376 0.000000       0.000000 -2.651356      26.41376 ?        ?        16.90201 7.606657 ?              ?        
1 1 1 14  30 40 o 28.22243 9.094884 50.71348       28.56338 0.000000       0.000000 50.71348       28.56338 ?        ?        28.22243 9.094884 ?              ?        
1 1 1 14  30 41 o 28.54055 8.886497 52.09443       27.47618 0.000000       0.000000 52.09443       27.47618 ?        ?        28.54055 8.886497 ?              ?        
1 1 1 14  30 42 o 16.04110 7.310639 -5.504697      25.33701 0.000000       0.000000 -5.504697      25.33701 ?        ?        16.04110 7.310639 ?              ?        
1 1 1 14  30 43 o 22.63389 8.604582 30.21053       26.33183 0.000000       0.000000 30.21053       26.33183 ?        ?        22.63389 8.604582 ?              ?        
1 1 1 14  31 0  o 74.34393 4.039907 276.7541       29.28790 248.4000       67.01201 283.4490       32.56255 66.17942 10.71055 75.05994 4.452041 -8.880524      11.59899 
1 1 1 14  31 1  o 63.00373 4.286510 199.5713       26.27739 166.3000       64.33452 206.2335       28.78828 52.42373 12.67773 63.91007 4.633396 -11.48634      13.49790 
1 1 1 14  31 2  o 29.79604 5.745559 46.60184       16.14967 46.02000       57.45136 46.65176       16.82821 31.47912 12.49747 29.73624 5.988910 1.742882       13.85835 
1 1 1 14  31 3  o 58.12247 3.700296 168.8357       20.94236 74.72000       62.40232 180.7813       22.23172 36.14738 13.34729 60.11847 3.797376 -23.97109      13.87697 
1 1 1 14  31 4  o 29.76725 5.790254 46.58681       16.26355 29.47000       57.83981 48.05631       16.94730 29.21943 12.18035 30.19411 5.945883 -0.9746838     13.55413 
1 1 1 14  31 5  o 39.11074 4.711498 78.02205       17.67398 34.76000       60.53659 82.05323       18.47908 30.19853 12.51391 40.08968 4.804740 -9.891146      13.40460 
1 1 1 14  31 6  o 43.84745 4.342219 97.31258       18.39192 179.0000       63.53451 89.84123       19.21461 54.58285 12.19908 41.97435 4.760697 12.60850       13.09510 
1 1 1 14  31 7  o 30.22775 6.306688 48.66724       18.05566 35.82000       58.92652 49.99841       18.96803 29.98827 12.37894 30.56920 6.537095 -0.5809364     13.99899 
1 1 1 14  31 8  o 56.02248 4.044773 157.8765       22.03073 0.000000       0.000000 157.8765       22.03073 ?        ?        56.02248 4.044773 ?              ?        
1 1 1 14  31 9  o 60.48397 3.964114 183.8029       23.33955 0.000000       0.000000 183.8029       23.33955 ?        ?        60.48397 3.964114 ?              ?        
1 1 1 14  31 10 o 33.99920 7.300271 62.94613       23.56886 -52.35000      58.16678 85.59416       25.78000 21.19615 10.10646 40.01930 6.825906 -18.82315      12.19563 
1 1 1 14  31 11 o 16.97629 8.056372 -34.97630      36.09598 -32.32000      55.61234 -36.91000      47.44891 22.06415 10.32393 19.85147 9.365744 2.212683       13.93917 
1 1 1 14  31 12 o 13.95036 6.395148 -11.28186      19.76412 -57.04000      58.28284 -5.336265      21.00894 20.78315 9.965286 15.39401 6.866529 5.389135       12.10191 
1 1 1 14  31 13 o 13.67900 6.041975 -3.108776      15.87249 -40.68000      58.43468 -0.1158860     16.49257 21.86924 10.34055 14.56553 6.300857 7.303715       12.10900 
1 1 1 14  31 14 o 19.56569 6.963343 18.44122       16.77891 -18.48000      59.62529 21.61643       17.48553 23.72461 10.95962 20.69776 7.126904 3.026855       13.07310 
1 1 1 14  31 15 o 41.95924 4.775795 90.67697       19.26592 47.06000       60.92764 95.52268       20.30793 30.62761 12.60949 43.01830 4.910739 -12.39068      13.53199 
1 1 1 14  31 16 o 99.17367 3.789429 494.8346       36.71780 0.000000       0.000000 494.8346       36.71780 ?        ?        99.17367 3.789429 ?              ?        
1 1 1 14  31 17 o 56.90805 3.794024 163.4631       21.01321 130.0000       57.74736 168.5701       22.55979 44.21890 12.68344 57.68727 4.020458 -13.46838      13.30540 
1 1 1 14  31 18 f 22.76354 6.623340 28.25552       15.64345 -18.92000      52.22867 32.90479       16.39619 21.97518 10.18845 24.46653 6.666396 -2.491350      12.17560 
1 1 1 14  31 19 o 64.30270 3.887903 209.1747       24.35662 0.000000       0.000000 209.1747       24.35662 ?        ?        64.30270 3.887903 ?              ?        
1 1 1 14  31 20 o 15.11751 6.188099 5.903485       14.56534 37.00000       47.36526 2.655794       15.30705 27.47457 11.19207 14.58427 6.183327 12.89030       12.78656 
1 1 1 14  31 21 o 36.44617 4.897167 69.29292       17.02870 28.75000       47.81977 75.18073       18.22329 26.27085 11.02185 37.92132 5.033703 -11.65047      12.11690 
1 1 1 14  31 22 o 38.90919 4.522869 78.23306       16.90487 23.80000       45.44545 86.97453       18.21174 25.20738 10.66925 41.00448 4.617662 -15.79710      11.62564 
1 1 1 14  31 23 o 61.67838 3.837730 192.8511       23.05455 154.6000       49.39420 203.5052       26.06826 50.07244 10.41756 63.12521 4.243592 -13.05277      11.24872 
1 1 1 14  31 24 o 48.13687 4.871959 120.4876       22.63984 89.32000       45.89705 130.5100       26.02659 36.66961 11.49560 49.77237 5.430205 -13.10276      12.71362 
1 1 1 14  31 25 o 40.89507 5.310330 88.39868       20.75535 95.84000       43.66758 86.22697       23.59040 38.22329 11.04968 39.83537 6.256010 -1.612080      12.69776 
1 1 1 14  31 26 o 18.83167 7.485626 14.04840       20.63616 0.000000       0.000000 14.04840       20.63616 ?        ?        18.83167 7.485626 ?              ?        
1 1 1 14  31 27 o 35.51920 5.659999 67.84577       19.01837 0.000000       0.000000 67.84577       19.01837 ?        ?        35.51920 5.659999 ?              ?        
1 1 1 14  31 28 o 18.06435 7.232079 12.42631       19.39927 19.73000       31.18616 7.816434       24.77622 21.95462 9.028235 18.45137 7.846507 3.503246       11.96147 
1 1 1 14  31 29 o 47.46020 3.933573 115.5067       18.10956 56.35000       34.35635 138.2669       21.31045 29.68200 9.994096 51.76419 4.243087 -22.08219      10.85752 
1 1 1 14  31 30 o 31.22672 5.056630 52.10034       14.92779 31.68000       26.59610 61.49213       18.03684 23.72802 8.721946 33.63215 5.681127 -9.904129      10.40901 
1 1 1 14  31 31 o 27.13694 8.792000 45.17014       26.67024 0.000000       0.000000 45.17014       26.67024 ?        ?        27.13694 8.792000 ?              ?        
1 1 1 14  31 32 o 19.84376 8.176636 14.94566       25.64789 0.000000       0.000000 14.94566       25.64789 ?        ?        19.84376 8.176636 ?              ?        
1 1 1 14  31 33 o 37.09457 8.028312 81.84121       28.30280 0.000000       0.000000 81.84121       28.30280 ?        ?        37.09457 8.028312 ?              ?        
1 1 1 14  31 34 o 24.46530 8.916419 35.14360       27.70476 0.000000       0.000000 35.14360       27.70476 ?        ?        24.46530 8.916419 ?              ?        
1 1 1 14  31 35 o 28.82164 9.772572 54.01000       32.85144 0.000000       0.000000 54.01000       32.85144 ?        ?        28.82164 9.772572 ?              ?        
1 1 1 14  31 36 o 25.20501 9.086402 38.41928       28.66825 0.000000       0.000000 38.41928       28.66825 ?        ?        25.20501 9.086402 ?              ?        
1 1 1 14  31 37 o 18.28563 8.043718 3.999979       27.86285 0.000000       0.000000 3.999979       27.86285 ?        ?        18.28563 8.043718 ?              ?        
1 1 1 14  31 38 o 37.73944 8.380929 87.05904       30.15337 0.000000       0.000000 87.05904       30.15337 ?        ?        37.73944 8.380929 ?              ?        
1 1 1 14  31 39 o 15.62744 7.170674 -8.468107      24.92722 0.000000       0.000000 -8.468107      24.92722 ?        ?        15.62744 7.170674 ?              ?        
1 1 1 14  31 40 o 35.30863 8.632349 78.37733       29.58035 0.000000       0.000000 78.37733       29.58035 ?        ?        35.30863 8.632349 ?              ?        
1 1 1 14  31 41 o 16.47495 7.431265 -2.182180      25.37339 0.000000       0.000000 -2.182180      25.37339 ?        ?        16.47495 7.431265 ?              ?        
1 1 1 14  31 42 o 29.49597 8.905723 57.52575       27.86385 0.000000       0.000000 57.52575       27.86385 ?        ?        29.49597 8.905723 ?              ?        
1 1 1 14  32 0  o 33.67022 5.458737 59.19854       17.37505 90.55000       58.93369 56.21402       18.18326 38.06201 13.08492 32.62405 5.911751 5.437962       14.35841 
1 1 1 14  32 1  o 77.98401 3.406393 303.3233       25.93926 332.3000       70.20518 298.7422       27.91450 77.02779 9.513371 77.26103 3.701933 -0.2332458     10.20826 
1 1 1 14  32 2  o 28.89629 7.063848 45.50906       19.80911 80.66000       59.29150 41.09250       21.01677 36.32101 13.07074 27.35944 7.584630 8.961576       15.11194 
1 1 1 14  32 3  o 52.42538 4.008637 138.5201       20.41447 39.64000       61.99363 150.5466       21.62034 30.46408 12.64727 54.64099 4.071654 -24.17691      13.28652 
1 1 1 14  32 4  o 48.80515 4.174305 120.4818       19.75014 26.24000       61.08245 131.4847       20.87126 28.69943 12.26582 50.98128 4.220235 -22.28185      12.97154 
1 1 1 14  32 5  o 39.65824 5.196489 81.37234       19.68722 84.47000       60.44623 81.00475       20.82259 36.78025 13.20220 39.42219 5.549596 -2.641937      14.32117 
1 1 1 14  32 6  o 50.95223 4.483450 132.0107       22.13270 113.6000       61.84490 134.7150       23.70252 41.66776 13.37851 51.34997 4.770267 -9.682209      14.20352 
1 1 1 14  32 7  o 35.95539 5.348153 67.41536       18.25014 42.80000       58.50448 70.06887       19.20864 30.26128 12.39619 36.59190 5.535784 -6.330626      13.57610 
1 1 1 14  32 8  o 26.61873 6.602440 38.53241       17.11880 90.99000       56.42864 33.21517       17.96547 37.70867 12.80775 24.68244 7.072724 13.02623       14.63086 
1 1 1 14  32 9  o 32.61039 8.352920 60.23552       26.77787 0.000000       0.000000 60.23552       26.77787 ?        ?        32.61039 8.352920 ?              ?        
1 1 1 14  32 10 o 52.07045 4.430588 138.1301       22.36756 0.000000       0.000000 138.1301       22.36756 ?        ?        52.07045 4.430588 ?              ?        
1 1 1 14  32 11 o 28.18135 6.492688 43.28076       17.54123 -35.15000      58.09732 51.14772       18.39994 21.98994 10.37126 30.75941 6.322714 -8.769466